diff --git a/.gitattributes b/.gitattributes
index 0d1ab717875e089f3a9b5fdd929a522f8d03e323..42118e5792fc704b0238d21dadd21fd2e68db7d9 100644
--- a/.gitattributes
+++ b/.gitattributes
@@ -62,3 +62,14 @@ releases/n1-n5-single-step-v1/payload/single_step/reaction_provenance.jsonl filt
 releases/n1-n5-single-step-v1/payload/single_step/reactions.smi filter=lfs diff=lfs merge=lfs -text
 releases/n1-n5-single-step-v1/payload/single_step/single_step.stereo.jsonl filter=lfs diff=lfs merge=lfs -text
 releases/n1-n5-single-step-v1/payload/splits/single_step/assignments.jsonl filter=lfs diff=lfs merge=lfs -text
+releases/n1-n5-composites-inchi-v1/payload/cohorts/n5_molecule_index.jsonl filter=lfs diff=lfs merge=lfs -text
+releases/n1-n5-composites-inchi-v1/payload/cohorts/n5_segment_index.jsonl filter=lfs diff=lfs merge=lfs -text
+releases/n1-n5-composites-inchi-v1/payload/cohorts/occurrence_audit.jsonl filter=lfs diff=lfs merge=lfs -text
+releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/composite_records.jsonl filter=lfs diff=lfs merge=lfs -text
+releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/composite_records.jsonl filter=lfs diff=lfs merge=lfs -text
+releases/n1-n5-composites-inchi-v1/payload/cohorts/route_audit.jsonl filter=lfs diff=lfs merge=lfs -text
+releases/n1-n5-composites-inchi-v1/payload/cohorts/shared_tactics.json filter=lfs diff=lfs merge=lfs -text
+releases/n1-n5-composites-inchi-v1/payload/single_step/reaction_provenance.jsonl filter=lfs diff=lfs merge=lfs -text
+releases/n1-n5-composites-inchi-v1/payload/single_step/reactions.smi filter=lfs diff=lfs merge=lfs -text
+releases/n1-n5-composites-inchi-v1/payload/single_step/single_step.stereo.jsonl filter=lfs diff=lfs merge=lfs -text
+releases/n1-n5-composites-inchi-v1/payload/splits/single_step/assignments.jsonl filter=lfs diff=lfs merge=lfs -text
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/n5_molecule_index.jsonl b/releases/n1-n5-composites-inchi-v1/payload/cohorts/n5_molecule_index.jsonl
new file mode 100644
index 0000000000000000000000000000000000000000..e3bdba006676caa5a6f2ba9e7530ec7b72b19836
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/n5_molecule_index.jsonl
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:d6e8a7ecfb7a15f97fcb74dbccfd469c9e71adb803b43d7b0a9b3dce9fe0bc2f
+size 15633304
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/n5_segment_index.jsonl b/releases/n1-n5-composites-inchi-v1/payload/cohorts/n5_segment_index.jsonl
new file mode 100644
index 0000000000000000000000000000000000000000..bf2fb0b8a0285c22a62aa84af9e39721fc482548
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/n5_segment_index.jsonl
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:cfe96d0f858469b44836e6f5844af9785238c7f80e3d80ada4c8981186fe48ec
+size 21240772
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/occurrence_audit.jsonl b/releases/n1-n5-composites-inchi-v1/payload/cohorts/occurrence_audit.jsonl
new file mode 100644
index 0000000000000000000000000000000000000000..69d045d9f850808e3cdae40bea1ba8555aa3afcf
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/occurrence_audit.jsonl
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:80199cee08de8849fcb834d0e2ffd3d774c71169646aed81bc5fe9f96e0b7163
+size 16205813
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/composite.manifest.json b/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/composite.manifest.json
new file mode 100644
index 0000000000000000000000000000000000000000..8cddd7c83ae5182cf3fb03febc35f4608a18b2a5
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/composite.manifest.json
@@ -0,0 +1,10 @@
+{
+  "input_sha256": "655e5f6da04b55795c554428c4ff986f372b189588e39ce371cffa53f1c899d5",
+  "policy_compatibility": "requires this exact ordered vocabulary",
+  "preserve_stereo": false,
+  "reaction_indices_semantics": "zero-based unique product/rule training-pair indices",
+  "rule_count": 2322,
+  "rules_sha256": "ad1f67943fcf550b8b5f1353d605ef541da9e01585aabaa7821642d3eeb59558",
+  "schema": "synplan-rules/2",
+  "stereo_schema": 1
+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/composite.tsv b/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/composite.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..12c915b4d5b52952604a385cbdff2f46485e5b72
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/composite.tsv
@@ -0,0 +1,2323 @@
+rule_smarts	popularity	reaction_indices
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+[C:1](-[c:2](:[c:3]):[c:4])(-[C:5])=[O:6]>>[C:1](-[C:5])(=[O:6])-[O:8]-[C:9]-[C:10].[c:2](:[c:3])(:[c:4])-[Br:7]	1	74
+[C:1](-[c:2](:[c:3]):[c:4])(-[C:5])=[O:6]>>[C:1](-[C:5])(=[O:6])-[O:9].[c:2](:[c:3])(:[c:4])-[Mg:7]-[Br:8]	1	75
+[C:1](-[c:2](:[c:3]):[c:4])(-[c:5])=[O:6]>>[C:1](-[c:5])(=[O:6])-[O:9].[c:2](:[c:3])(:[c:4])-[Mg:7]-[Br:8]	1	76
+[C:1](-[c:2](:[c:3]):[c:4])-[O:5]>>[C:1](=[O:5])-[N:6](-[C:7])-[C:8].[c:2](:[c:3])(:[c:4])-[Br:9]	1	77
+[C:1](-[c:2](:[c:3]):[n:4])=[O:5]>>[C:1](-[c:2](:[c:3]):[n:4])(=[O:5])-[O:6]-[C:7]-[C:8]	2	78,79
+[C:1](-[c:2](:[c:3]:[n:4]):[n:5])=[O:6]>>[C:1](-[c:2](:[c:3]:[n:4]):[n:5])(=[O:6])-[O:7]-[C:8]-[C:9]	1	80
+[C:1](-[c:2])(-[c:3](:[c:4]):[c:5])=[O:6]>>[C:1](-[c:2])=[O:6].[c:3](:[c:4])(:[c:5])-[Br:7]	1	81
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[Br:4].[C:1](-[c:2])=[O:5]	2	82,83
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[C:1](-[c:2])=[O:7]	2	84,85
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[P:4](-[Br:7])-[Br:8].[C:1](-[c:2])(-[O:5])=[O:6]	1	86
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[P:4](-[Br:7])-[Br:8].[C:1](-[c:2])(=[O:5])-[O:6]	1	87
+[C:1](-[c:2])-[Br:3]>>[Br:3].[C:1](-[c:2])(-[O:4])=[O:5]	1	88
+[C:1](-[c:2])-[Br:3]>>[Br:3].[C:1](-[c:2])(=[O:4])-[O:5]-[C:6]-[C:7]	1	89
+[C:1](-[c:2])-[Br:4]>>[Br:4]-[N:8]-1-[C:6](-[C:5]-[C:11]-[C:9]-1=[O:10])=[O:7].[C:1](-[c:2])=[O:3]	1	90
+[C:1](-[c:2])-[Cl:3]>>[C:1](-[c:2])(=[O:6])-[O:7]-[C:8].[Cl:3]-[C:4]-[Cl:5]	1	91
+[C:1](-[c:2])-[Cl:3]>>[C:1](-[c:2])(=[O:8])-[O:9]-[C:10]-[C:11].[Cl:3]-[S:5](=[O:4])(-[C:6])=[O:7]	1	92
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[S:4](-[Cl:7])=[O:8].[C:1](-[c:2])(=[O:5])-[O:6]	1	93
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1](-[c:2])(-[O:7])=[O:8]	1	94
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1](-[c:2])=[O:7]	1	95
+[C:1](-[c:2])-[O:3]>>[C:1](-[c:2])(-[O:3]-[C:4])=[O:5]	2	96,97
+[C:1](-[c:2])-[O:3]>>[C:1](-[c:2])-[Br:7].[O:3]-[C:5](-[C:4])=[O:6]	1	98
+[C:1](-[c:2])-[c:4](:[c:3]):[c:5]>>[C:1](-[c:2])(=[O:6])-[O:7].[c:3]:[c:4]:[c:5]	1	99
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(-[O:3])=[O:4]	2	100,101
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(-[O:3]-[C:4])=[O:5]	1	102
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(=[O:3])-[O:4]	1	103
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(=[O:3])-[O:4]-[C:5]	2	104,105
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(=[O:3])-[O:4]-[C:5]-[C:6]	1	106
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])-[Br:7].[O:3]-[C:5](-[C:4])=[O:6]	1	107
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])-[O:3]-[C:4]	1	108
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])-[O:3]-[C:4](-[C:5])=[O:6]	1	109
+[C:1](-[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1)=[O:7]>>[C:1]=[O:7].[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1	1	110
+[C:1](-[c:2]:[c:3]:[n:4])-[Cl:5]>>[C:1](-[c:2]:[c:3]:[n:4])(=[O:6])-[O:7]-[C:8]-[C:9].[Cl:5]-[S:10](=[O:11])-[Cl:12]	1	111
+[C:1](-[c:2]:[c:4]:[n:3])-[Cl:5]>>[C:1](-[c:2]:[c:4]:[n:3])(=[O:8])-[O:9]-[C:10].[Cl:5]-[C:6]-[Cl:7]	1	112
+[C:1](=[C:2]-[C:3](-[c:4](:[c:5]):[c:6])=[O:8])-[N:7]>>[C:2]=[C:3](-[O:8]-[C:13]-[C:14])-[Sn:15](-[C:16]-[C:17]-[C:18]-[C:19])(-[C:20]-[C:21]-[C:22]-[C:23])-[C:24]-[C:25]-[C:26]-[C:27].[C:1](-[N:7])(-[O:9]-[C:10])-[O:11]-[C:12].[c:4](:[c:5])(:[c:6])-[Br:28]	1	113
+[C:1](=[O:2])(-[C:3])-[Cl:4]>>[C:1](=[O:2])(-[C:3])-[O:8]-[C:9]-[C:10].[Cl:4]-[S:6](-[Cl:5])=[O:7]	1	114
+[C:1](=[O:2])(-[C:3])-[O:4]>>[C:1](-[O:2])-[C:3].[O:4]	1	115
+[C:1](=[O:2])(-[C:3]-1-[C:4]-[C:5](=[O:6])-[N:7](-[c:8])-[C:9]-1)-[O:11]-[C:10]>>[C:1](=[O:2])(-[C:3](-[C:4]-[C:5](-[O:6])=[O:13])=[C:9])-[O:12].[C:10]-[O:11].[N:7]-[c:8]	1	116
+[C:1](=[O:2])(-[C:3]-[C:4](=[O:5])-[N:6]-[c:7])-[O:8]>>[C:1](=[O:2])(-[C:3]-[C:4](=[O:5])-[Cl:9])-[O:8].[N+:6](-[c:7])(=[O:10])-[O-:11]	1	117
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+[C:1](=[O:2])(-[C:3]-[O:4]-[C:5])-[O:7]>>[C:1](=[O:2])(-[C:3]-[Br:8])-[O:7].[O:4](-[C:5])-[C:6](-[C:9])=[O:10]	1	119
+[C:1](=[O:2])(-[N:3]-[c:4]:[c:5]:[n:6])-[O:9]>>[N+:3](-[c:4]:[c:5]:[n:6])(=[O:7])-[O-:8].[C:1](=[O:2])(-[O:9])-[Cl:10]	1	120
+[C:1](=[O:2])(-[c:3](:[c:4]):[n:5])-[O:6]>>[C:1](-[O:2]-[C:7]-[C:8])(-[c:3](:[c:4]):[n:5])-[O:9]-[C:10]-[C:11].[O:6]-[O:12]-[S:13](=[O:14])-[O:15]	1	121
+[C:1](=[O:2])(-[c:3](:[c:4]):[s:5])-[Cl:6]>>[Cl:6]-[C:7](-[C:8](=[O:9])-[Cl:10])=[O:11].[C:1](=[O:2])(-[c:3](:[c:4]):[s:5])-[O:12]-[C:13]	2	122,123
+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[C:1](=[O:2])(-[c:3])-[O:8]-[C:9]-[C:10].[Cl:4]-[S:6](-[Cl:5])=[O:7]	1	124
+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[Cl:4]-[S:5](-[Cl:6])=[O:10].[C:1](=[O:2])(-[c:3])-[O:7]-[C:8]-[C:9]	1	125
+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[C:1](=[O:2])(-[c:3])-[O:8]-[C:9]	1	126
+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[C:1](=[O:2])(-[c:3])-[O:8]-[C:9]-[C:10]	1	127
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1)-[O:8]>>[O:8]=[C:9](-[C:10])-[C:11].[C:1](=[O:2])(-[C:13](-[Cl:12])(-[Cl:14])-[Cl:15])-[Cl:16].[c:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1	1	128
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1)-[O:8]>>[C:1](=[O:2])(-[C:12](-[F:9])(-[F:10])-[F:11])-[O:13]-[C:14](-[C:15](-[F:16])(-[F:17])-[F:18])=[O:19].[O:8].[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1	1	129
+[C:1](=[O:2])(-[c:3]:1:[n:4]:[o:5]:[c:6](-[c:7]):[c:8]:1)-[O:9]>>[C:1](=[O:2])(-[C:3](=[O:11])-[O:12]-[C:13]-[C:14])-[O:9].[N:4]-[O:5].[C:6](-[c:7])(-[C:8])=[O:10]	1	130
+[C:1](=[O:2])(-[c:3]:[c:5]:[n:4])-[N:7](-[O:6])-[C:8]>>[C:1](=[O:2])(-[c:3]:[c:5]:[n:4])-[O:9]-[C:10]-[C:11].[O:6]-[N:7]-[C:8]	1	131
+[C:1](=[O:2])-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1](=[O:2])-[C:3]	1	132
+[C:1](=[O:2])-[O:3]-[C:4]-[c:5]>>[C:1](=[O:2])-[O:3]-[C:6].[C:4](-[c:5])-[Br:7]	1	133
+[C:1](=[O:2])-[O:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[O:8].[C:1](=[O:2])-[O:3]-[C:7]	1	134
+[C:1](=[O:2])-[c:3]>>[C:1](=[O:2])(-[c:3])-[O:4]	1	135
+[C:1](=[S:2])=[N:3]-[c:4]>>[C:1](=[S:2])(-[Cl:5])-[Cl:6].[N+:3](-[c:4])(=[O:7])-[O-:8]	2	136,137
+[C:1]-1-[C:2](-[O:3]-1)(-[C:4])-[C:5]>>[C:2]-1(-[O:3]-[C:9]-[C:10]-[O:11]-1)(-[C:4])-[C:5].[C:1]-[S:6](-[C:7])=[O:8]	1	138
+[C:1]-1-[C:2]-[N:3](-[C:4])-[C:5](-[C:6]-[O:7]-1)=[O:8]>>[C:5](-[C:6]-[Cl:9])(=[O:8])-[Cl:10].[C:1](-[C:2]-[N:3]-[C:4])-[O:7]	1	139
+[C:1]-1-[N:2]-[C:3](=[O:4])-[C:5](-[c:6])=[C:7]-1-[O:8]>>[C:1](-[N:2])-[C:7](=[O:8])-[O:10]-[C:9].[C:3](=[O:4])(-[C:5]-[c:6])-[O:11]	1	140
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]:[c:6]:[s:8]):[c:7]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5]:[c:6]:[s:8])(:[c:7])-[O:9]	1	141
+[C:1]-[C:2]#[N:3]>>[C:1]-[C:2](=[O:4])-[O:5]-[C:6].[N:3]	1	142
+[C:1]-[C:2]#[N:3]>>[C:1]-[C:2](=[O:4])-[O:5].[N:3]	4	143,144,145,146
+[C:1]-[C:2]#[N:3]>>[N:3].[C:1]-[C:2](=[O:4])-[O:5]	2	147,148
+[C:1]-[C:2]#[N:3]>>[N:3].[C:1]-[C:2](=[O:4])-[O:5]-[C:6]	1	149
+[C:1]-[C:2](-[C:3]#[N:4])-[C:5]>>[C:1]-[C:2](-[C:5])-[O:6].[C:3]#[N:4]	1	150
+[C:1]-[C:2](-[C:3]#[N:4])-[C:5]>>[C:1]-[C:2](-[C:5])=[O:17].[C-:3]#[N+:4]-[C:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13]	1	151
+[C:1]-[C:2](-[C:3]#[N:5])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:17].[C-:3]#[N+:5]-[C:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13]	1	152
+[C:1]-[C:2](-[C:3]#[N:5])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:17].[C-:3]#[N+:5]-[C:9]-[S:6](=[O:7])(=[O:8])-[c:16]:1:[c:10]:[c:11]:[c:13](-[C:12]):[c:14]:[c:15]:1	1	153
+[C:1]-[C:2](-[C:3])(-[C:4](=[O:5])-[c:6])-[N:7](-[C:8])-[C:9]>>[C:1]-[C:2](-[C:3])(-[C:4](-[c:6])=[O:11])-[Br:12].[N:7](-[C:8])-[C:9].[O:5]-[C:10]	1	154
+[C:1]-[C:2](-[C:3])(-[C:4](=[O:5])-[c:6])-[N:7](-[C:8])-[C:9]>>[N:7](-[C:8])-[C:9].[C:1]-[C:2](-[C:3])-[C:4](-[c:6])=[O:11].[O:5]-[C:10]	1	155
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N:8](-[C:9])(-[C:10])-[C:19]-[c:20]:1:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:1	4	156,157,158,159
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](=[O:13])-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18].[N:8](-[C:9])(-[C:10])-[C:19]-[c:20]:1:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:1	1	160
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[N:8](-[C:9])(-[C:10])-[C:19](-[O:20]-[C:21]-[C:22])=[O:23].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18]	1	161
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:11]-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:8](-[C:9])-[C:11](-[C:10])=[O:20]	1	162
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[C:11]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[C:9](-[C:10])=[O:20].[N:8]-[C:11]	1	163
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[C:11]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:8](-[C:9](-[C:10])=[O:20])-[C:11]	1	164
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[C:11]>>[N:8](-[C:9](-[C:10])=[O:20])-[C:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	165
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[c:11]>>[N:8](-[C:9](-[C:10])=[O:20])-[c:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](=[O:14])-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19]	1	166
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[c:10])-[C:11]>>[N:8](-[C:9](-[c:10])=[O:20])-[C:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	167
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[c:10])-[C:11]>>[N:8]-[C:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[C:9](-[c:10])(=[O:20])-[O:21]	1	168
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[c:9](:[c:10]):[c:11])-[C:12]>>[N:8]-[C:12].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[c:9](:[c:10])(:[c:11])-[F:21]	1	169
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N:8]#[C:9]-[C:10]	2	170,171
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-[C:10]>>[N:8]-[C:9](-[C:10])=[O:19].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18]	1	172
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:10]-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[N:8](-[C:9])-[C:18]-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1	1	173
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+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:9]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:10]-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[N+:8](-[c:9])(=[O:18])-[O-:19]	1	175
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+[C:1]-[C:2](-[C:3])(-[C:4]-[N:5]-[C:6](=[O:7])-[c:8])-[N:9](-[C:10])-[C:11]>>[C:1]-[C:2](-[C:3])=[O:12].[N:9](-[C:10])-[C:11].[C:4]#[N:5].[C:6](=[O:7])(-[c:8])-[Cl:13]	1	177
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+[C:1]-[C:2](-[C:3])-[N:4](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]>>[C:6](=[O:7])(-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])-[O:14]-[C:15](-[O:16]-[C:17](-[C:18])(-[C:19])-[C:20])=[O:21].[C:1]-[C:2](-[C:3])=[O:13].[N:4]-[C:5]	1	179
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+[C:1]-[C:2](-[C:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](-[C:3])-[O:6]	1	181
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+[C:1]-[C:2](-[C:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:7])-[O-:8].[C:1]-[C:2](-[C:3])=[O:6]	1	184
+[C:1]-[C:2](-[C:3])-[N:4]=[N+:6]=[N-:5]>>[C:1]-[C:2](-[C:3])-[O:7].[N-:4]=[N+:6]=[N-:5]	1	185
+[C:1]-[C:2](-[C:3])-[N:4]>>[C:1]-[C:2](-[C:3])-[O:7].[N-:4]=[N+:6]=[N-:5]	1	186
+[C:1]-[C:2](-[C:3])-[N:4]>>[N-:4]=[N+:6]=[N-:5].[C:1]-[C:2](-[C:3])-[O:7]-[S:8](-[C:9])(=[O:10])=[O:11]	1	187
+[C:1]-[C:2](-[C:3])-[O:4]-[c:5]>>[C:1]-[C:2](-[C:3])-[I:6].[O:4](-[c:5])-[C:7]	1	188
+[C:1]-[C:2](-[C:3])-[O:5]-[c:4]>>[C:1]-[C:2](-[C:3])-[O:6].[c:4]-[O:5]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	189
+[C:1]-[C:2](-[C:3])-[S:4]-[C:5](-[C:6])=[O:7]>>[C:1]-[C:2](-[C:3])-[O:8].[S:4]=[C:5](-[C:6])-[O:7]	1	190
+[C:1]-[C:2](-[C:3])=[O:4]>>[C:1]-[C:2](-[C:3])-[O:4]-[C:5](-[C:6])=[O:7]	2	191,192
+[C:1]-[C:2](-[C:3]-[C:4]#[C:5])(-[O:6]-[Si:7](-[C:8])(-[C:9])-[C:10])-[C:11]>>[Si:7](-[C:8])(-[C:9])(-[C:10])-[Cl:13].[C:3](-[C:4]#[C:5])-[Br:12].[C:1]-[C:2](=[O:6])-[C:11]	1	193
+[C:1]-[C:2](-[C:3]-[C:4]-[O:5])-[C:6]>>[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[O:9]-[C:8]-[C:7])-[C:6]	1	194
+[C:1]-[C:2](-[C:3]-[C:4]-[O:6])-[C:5]>>[C:1]-[C:2](=[C:3]-[C:4](=[O:6])-[O:9]-[C:8]-[C:7])-[C:5]	1	195
+[C:1]-[C:2](-[C:3]-[O:4])-[c:5]>>[C:1]-[C:2](-[c:5])=[O:6].[O:4]-[O:26].[C:3]-[P+:7](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	1	196
+[C:1]-[C:2](-[C:3]-[c:4])-[C:5]=[O:6]>>[C:1]-[C:2]-[C:5]=[O:6].[C:3](-[c:4])=[O:7]	1	197
+[C:1]-[C:2](-[C:3]=[O:4])-[C:5]>>[C:1]-[C:2](-[C:5])=[O:7].[C:3](-[O:4]-[C:6])-[P+:8](-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)(-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2)-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:3	1	198
+[C:1]-[C:2](-[N:3](-[C:4])-[C:5])-[C:6]>>[C:1]-[C:2](-[C:6])=[O:7].[N:3](-[C:4])(-[C:5])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	2	199,200
+[C:1]-[C:2](-[N:3](-[C:4])-[C:5])-[C:6]>>[C:1]-[C:2]-1(-[C:6])-[O:7]-[C:8]-[C:9]-[O:10]-1.[N:3](-[C:4])-[C:5]	1	201
+[C:1]-[C:2](-[N:3](-[C:4])-[C:5])-[C:6]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](-[C:6])-[O:7]	1	202
+[C:1]-[C:2](-[N:3](-[C:4])-[C:5])=[O:6]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9]	4	203,204,205,206
+[C:1]-[C:2](-[N:3])-[C:4]>>[C:1]-[C:2](-[C:4])-[O:7]-[S:8](-[C:9])(=[O:10])=[O:11].[N-:3]=[N+:6]=[N-:5]	3	207,208,209
+[C:1]-[C:2](-[N:3])-[C:4]>>[C:1]-[C:2](-[C:4])-[O:7].[N-:3]=[N+:6]=[N-:5]	3	210,211,212
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+[C:1]-[C:2](-[N:3])-[C:4]>>[N-:3]=[N+:6]=[N-:5].[C:1]-[C:2](-[C:4])-[O:7]-[S:8](-[C:9])(=[O:10])=[O:11]	1	215
+[C:1]-[C:2](-[N:3])-[C:4]>>[N:3]-[O:5].[C:1]-[C:2](-[C:4])=[O:6]	1	216
+[C:1]-[C:2](-[N:3])-[C:4]>>[N:3].[C:1]-[C:2](-[C:4])-[O:5]	1	217
+[C:1]-[C:2](-[N:3])-[c:4]>>[C:1]-[C:2](-[c:4])-[O:7].[N:3](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	2	218,219
+[C:1]-[C:2](-[N:3])-[c:4]>>[C:1]-[C:2](-[c:4])=[O:6].[N:3]-[O:5]	1	220
+[C:1]-[C:2](-[N:3])-[c:4]>>[N:3]-[O:5].[C:1]-[C:2](-[c:4])=[O:6]	2	221,222
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2](=[O:4])-[O:5]-[C:6]-[C:7].[N:3]	3	223,224,225
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2](=[O:4])-[O:5]-[C:6].[N:3]	4	226,227,228,229
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+[C:1]-[C:2](-[N:3])=[S:4]>>[C:1]-[C:2](=[O:24])-[O:25].[N:3].[S:4]=[P:6]-1(-[c:7]:2:[c:8]:[c:9]:[c:10](-[O:11]-[C:12]):[c:13]:[c:14]:2)-[S:15]-[P:16](-[c:17]:3:[c:5]:[c:23]:[c:20](:[c:19]:[c:18]:3)-[O:21]-[C:22])(=[S:26])-[S:27]-1	1	234
+[C:1]-[C:2](-[N:3])=[S:4]>>[C:1]-[C:2](=[O:26])-[O:27].[N:3].[S:4]=[P:6]-1(-[S:7]-[P:8](-[c:9]:2:[c:10]:[c:11]:[c:12](-[O:13]-[C:14]):[c:15]:[c:16]:2)(=[S:17])-[S:18]-1)-[c:19]:3:[c:5]:[c:25]:[c:22](:[c:21]:[c:20]:3)-[O:23]-[C:24]	1	235
+[C:1]-[C:2](-[N:3])=[S:4]>>[N:3].[C:1]-[C:2](=[O:26])-[O:27].[S:4]=[P:6]-1(-[S:7]-[P:8](-[c:9]:2:[c:10]:[c:11]:[c:12](-[O:13]-[C:14]):[c:15]:[c:16]:2)(=[S:17])-[S:18]-1)-[c:19]:3:[c:5]:[c:25]:[c:22](:[c:21]:[c:20]:3)-[O:23]-[C:24]	1	236
+[C:1]-[C:2](-[N:3]-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[C:11]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N-:3]=[N+:21]=[N-:20].[C:1]-[C:2](-[C:11])-[O:22]-[S:23](-[C:24])(=[O:25])=[O:26]	1	237
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+[C:1]-[C:2](-[N:3]-[C:4])=[O:5]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[O:6]-[C:7]-[C:8]	1	239
+[C:1]-[C:2](-[N:3]-[C:4])=[O:5]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	240
+[C:1]-[C:2](-[N:3]-[N:4]-[C:5](-[c:6])=[O:7])=[O:11]>>[N:3]-[N:4].[C:1]-[C:2](=[O:11])-[O:12].[C:5](-[c:6])(=[O:7])-[O:8]-[C:9]-[C:10]	1	241
+[C:1]-[C:2](-[N:3]-[N:4]-[C:5](-[c:6])=[O:7])=[O:8]>>[C:1]-[C:2](=[O:8])-[O:9].[N:3]-[N:4].[C:5](-[c:6])(=[O:7])-[O:10]-[C:11]-[C:12]	1	242
+[C:1]-[C:2](-[N:3]-[O:4])=[N:5]>>[C:1]-[C:2](-[N:5])=[O:6].[N:3]-[O:4]	1	243
+[C:1]-[C:2](-[N:3]-[O:4])=[N:5]>>[N:5].[N:3]-[O:4].[C:1]-[C:2](=[O:6])-[O:7]	1	244
+[C:1]-[C:2](-[N:3]-[S:4](-[C:5])(=[O:6])=[O:7])-[c:8]>>[C:1]-[C:2](-[c:8])=[O:9].[N:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:10]	1	245
+[C:1]-[C:2](-[N:3]-[c:4])-[C:5]>>[C:1]-[C:2](-[C:5])=[O:6].[N+:3](-[c:4])(=[O:7])-[O-:8]	1	246
+[C:1]-[C:2](-[N:3]-[c:4])=[O:5]>>[C:1]-[C:2](=[O:5])-[O:6].[N+:3](-[c:4])(=[O:7])-[O-:8]	1	247
+[C:1]-[C:2](-[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)=[O:10]>>[C:1]-[C:2](=[O:10])-[Cl:11].[N+:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)(=[O:9])-[O-:12]	1	248
+[C:1]-[C:2](-[N:3]=[N+:4]=[N-:5])-[C:6]>>[C:1]-[C:2](-[C:6])-[O:7].[N-:3]=[N+:4]=[N-:5]	2	249,250
+[C:1]-[C:2](-[N:3]=[N+:6]=[N-:5])-[C:4]>>[C:1]-[C:2](-[C:4])-[O:7].[N-:3]=[N+:6]=[N-:5]	4	251,252,253,254
+[C:1]-[C:2](-[O:3])(-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2](-[O:3])-[C:7].[c:4](:[c:5])(:[c:6])-[Br:8]	1	255
+[C:1]-[C:2](-[O:3])-[C:4](-[F:5])(-[F:6])-[F:7]>>[C:4](-[F:5])(-[F:6])(-[F:7])-[Si:8](-[C:9])(-[C:10])-[C:11].[C:1]-[C:2]-[O:3]	1	256
+[C:1]-[C:2](-[O:3])-[C:4]>>[C:1]-[C:2]-1(-[O:3]-[C:5]-[C:6]-[O:7]-1)-[C:4]	1	257
+[C:1]-[C:2](-[O:3])-[C:4]>>[C:2](-[O:3])-[C:4].[C:1]-[Mg:5]-[Br:6]	3	258,259,260
+[C:1]-[C:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Mg:7]-[Br:8].[C:1]-[C:2](=[O:3])-[N:9](-[O:10]-[C:11])-[C:12]	1	261
+[C:1]-[C:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Mg:7]-[Br:8].[C:1]-[C:2](=[O:3])-[O:9]	1	262
+[C:1]-[C:2](-[O:3])-[c:4](:[c:5]:[n:6]):[n:7]>>[C:2](-[O:3])-[c:4](:[c:5]:[n:6]):[n:7].[C:1]-[Mg:8]-[Br:9]	1	263
+[C:1]-[C:2](-[O:3]-[C:4](-[C:5])=[O:6])-[C:7]>>[C:4](-[C:5])(=[O:6])-[O:8]-[C:9](-[C:10])=[O:11].[C:1]-[C:2](=[O:3])-[C:7]	1	264
+[C:1]-[C:2](-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7])-[C:8]>>[C:1]-[C:2](=[O:3])-[C:8].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:9]	1	265
+[C:1]-[C:2](-[O:3]-[S:4](=[O:5])(=[O:6])-[c:7]:1:[c:8]:[c:9]:[c:10](-[C:11]):[c:12]:[c:13]:1)-[C:14]>>[C:1]-[C:2](=[O:3])-[C:14].[S:4](=[O:5])(=[O:6])(-[c:7]:1:[c:8]:[c:9]:[c:10](-[C:11]):[c:12]:[c:13]:1)-[Cl:15]	1	266
+[C:1]-[C:2](-[O:3]-[c:4])-[C:5]>>[C:1]-[C:2](-[C:5])-[O:6].[O:3]-[c:4]	1	267
+[C:1]-[C:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[C:2](-[C:6])=[O:7].[c:3](:[c:4])(:[c:5])-[Br:8]	2	268,269
+[C:1]-[C:2](-[c:3](:[c:4]):[c:5])-[O:6]>>[c:3](:[c:4])(:[c:5])-[Mg:7]-[Br:8].[C:1]-[C:2](=[O:6])-[N:9](-[O:10]-[C:11])-[C:12]	1	270
+[C:1]-[C:2](-[c:3](:[c:4]):[c:5])=[O:6]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9].[c:3](:[c:4]):[c:5]	1	271
+[C:1]-[C:2](-[c:3])-[C:4]>>[C:1]-[C:2](-[c:3])(-[C:4])-[O:5]	3	272,273,274
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+[C:1]-[C:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1)-[C:8]>>[C:1]-[C:2](-[C:8])=[O:9].[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1	2	276,277
+[C:1]-[C:2](-[c:8]:1:[c:3]:[c:4]:[n:5]:[c:6]:[c:7]:1)=[O:9]>>[C:1]-[C:2]=[O:9].[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:[c:8]:1	1	278
+[C:1]-[C:2](=[C:3](-[C:4]#[N:5])-[C:6])-[N:7]>>[C:1]-[C:2](=[C:3](-[C:4](=[O:8])-[O:9])-[C:6])-[N:7].[N:5]	1	279
+[C:1]-[C:2](=[C:3](-[C:4](=[O:5])-[N:6]-[c:7])-[C:8])-[N:9]>>[C:1]-[C:2](=[C:3](-[C:4](=[O:5])-[O:10]-[C:11])-[C:8])-[N:9].[N:6]-[c:7]	1	280
+[C:1]-[C:2](=[C:3]-[C:4]-[N:5](-[C:6])-[C:7])-[C:8]>>[N:5](-[C:6])-[C:7].[C:1]-[C:2](=[C:3]-[C:4]-[O:9])-[C:8]	1	281
+[C:1]-[C:2](=[C:3]-[C:4]-[O:5]-[c:6])-[C:7]>>[C:1]-[C:2](-[C:3]=[C:4])(-[C:7])-[O:8].[O:5]-[c:6]	1	282
+[C:1]-[C:2](=[N:3]-[N:4]-[C:5](=[O:6])-[c:7])-[c:8]>>[C:5](=[O:6])(-[c:7])-[O:10]-[C:11].[N:3]-[N:4].[C:1]-[C:2](-[c:8])=[O:9]	1	283
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+[C:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6])-[C:7](=[O:8])-[O:9]-[C:10]>>[C:1]=[C:2]-1-[O:3]-[C:7](-[C:4]-1)=[O:8].[C:5](-[c:6])=[O:11].[O:9]-[C:10]	1	289
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+[C:1]-[C:2](=[O:3])-[C:4]-[C:5]-[C:6](=[O:7])-[c:8](:[n:9]):[s:10]>>[C:1]-[C:2](=[O:3])-[O:13].[C:4](=[C:5])-[Mg:11]-[Br:12].[C:6](=[O:7])-[c:8](:[n:9]):[s:10]	1	291
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+[C:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[C:5](-[C:6](=[O:7])-[Cl:8])=[O:9].[C:1]-[C:2](=[O:3])-[O:10]-[C:11]-[C:12]	1	301
+[C:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[C:1]-[C:2](=[O:3])-[O:8]-[C:9]	1	302
+[C:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[C:1]-[C:2](=[O:3])-[O:8]-[C:9]-[C:10]	2	303,304
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5](-[C:6])-[C:7])-[C:8]>>[C:5](-[C:6])(-[C:7])=[O:10].[N:4]-[C:8].[C:1]-[C:2](=[O:3])-[Cl:9]	1	305
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6](-[C:7])-[c:8]>>[C:6](-[C:7])(-[c:8])=[O:10].[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:9]	1	306
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]>>[C:1]-[C:2](=[O:3])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14].[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]	1	307
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]>>[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9].[C:1]-[C:2](=[O:3])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	308
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](-[O:3]-[C:8])=[O:7].[N:4](-[C:5])-[C:6]	1	309
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8](-[C:9])=[O:10].[N:4](-[C:5])(-[C:6])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17]	3	310,311,312
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9].[N:4](-[C:5])-[C:6]	1	313
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7].[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	3	314,315,316
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7].[N:4](-[C:5])-[C:6]	1	317
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:1]-[C:2](=[O:3])-[Cl:7]	2	318,319
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:1]-[C:2](=[O:3])-[O:7]	3	320,321,322
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[C:1]-[C:2](=[O:3])-[O:7]	1	323
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[C:1]-[C:2](=[O:3])-[O:7]	1	324
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]	2	325,326
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]-[C:8]	2	327,328
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]	2	329,330
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9]	4	331,332,333,334
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[O:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9].[N:4](-[C:5])-[O:6]	1	335
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6](:[c:7]):[c:8]>>[C:1]-[C:2](=[O:3])-[Cl:9].[N:4]-[C:5].[c:6](:[c:7])(:[c:8])-[Br:10]	1	336
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](-[C:6])-[C:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9](=[O:10])-[C:11].[N:4].[C:5](-[C:6])(-[C:7])=[O:12]	1	337
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](=[C:6](-[N:7])-[N:8])-[C:10](-[N:9])=[O:11]>>[C:5](=[C:6](-[N:7])-[N:8])-[C:10](-[N:9])=[O:11].[C:1]-[C:2](=[O:3])-[O:12].[N:4](=[O:13])-[O:14]	1	338
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](=[C:6](-[N:7])-[N:8])-[C:10](-[N:9])=[O:11]>>[N:4](-[C:5](=[C:6](-[N:7])-[N:8])-[C:10](-[N:9])=[O:11])=[O:13].[C:1]-[C:2](=[O:3])-[O:12]	1	339
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](-[N:7])=[O:8]>>[C:1]-[C:2](=[O:3])-[O:9]-[C:10]-[C:11].[N:4]-[C:5]-[C:6](-[N:7])=[O:8]	1	340
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](-[N:7])=[O:8]>>[C:1]-[C:2](=[O:3])-[O:9].[N:4](-[C:5]-[C:6](-[N:7])=[O:8])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16]	2	341,342
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[N:8]>>[C:1]-[C:2](=[O:3])-[O:9]-[C:10].[N:4]-[C:5]-[C:6](=[O:7])-[N:8]	2	343,344
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[N:8]>>[N:4](-[C:5]-[C:6](=[O:7])-[N:8])-[C:10](=[O:11])-[O:12]-[C:13]-[C:14]-1-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]-1:3.[C:1]-[C:2](-[O:3])=[O:9]	1	345
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[N:4]-[C:5]-[C:6](=[O:7])-[O:8].[C:1]-[C:2](=[O:3])-[O:9]	1	346
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[N:4]-[C:5]-[C:6](=[O:7])-[O:8].[C:1]-[C:2](=[O:3])-[O:9]-[C:10]	2	347,348
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[Cl:6].[N:4](-[C:5])-[C:7](-[C:8])=[O:9]	1	349
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[C:5]	1	350
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8].[N:4]-[C:5]	2	351,352
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[N:4]-[C:5]	1	353
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[C:5]	2	354,355
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4](-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	2	356,357
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4](-[C:5])-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	1	358
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4](-[C:5])=[N+:7]=[N-:8]	1	359
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4](-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:1]-[C:2](=[O:3])-[O:6]	3	360,361,362
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4](-[C:5])=[N+:10]=[N-:11].[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])=[O:9]	1	363
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]	1	364
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]	2	365,366
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+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	371
+[C:1]-[C:2](=[O:3])-[N:4]-[N:5]-[C:6](=[O:7])-[N:8]-[C:9]>>[C:6](=[O:7])=[N:8]-[C:9].[C:1]-[C:2](=[O:3])-[O:10]-[C:11]-[C:12].[N:4]-[N:5]	1	372
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+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5]-[C:9]-1-[C:8]-[C:7]-[C:6]-[C:11]-[O:10]-1.[C:1]-[C:2](=[O:3])-[O:12]	2	374,375
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5]-[C:9]-1-[C:8]-[C:7]-[C:6]-[C:11]-[O:10]-1.[C:1]-[C:2](=[O:3])-[O:12]-[C:13]-[C:14]	2	376,377
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8]	2	378,379
+[C:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[S:5]	1	380
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9](-[C:10])=[O:11].[N+:4](-[O:12])(-[O-:13])=[O:14].[c:5](:[c:6]):[c:7]	1	381
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9](-[C:10])=[O:11].[N+:4](=[O:12])(-[O-:13])-[O:14].[c:5](:[c:6]):[c:7]	1	382
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[n:7]>>[C:1]-[C:2](=[O:3])-[O:8].[N:4](-[c:5](:[c:6]):[n:7])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13](-[O:14]-[C:15]):[c:16]:[c:17]:1	2	383,384
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[n:9]:[c:8]:[c:7]>>[C:1]-[C:2](=[O:3])-[O:10].[c:5](:[c:6])(:[n:9]:[c:8]:[c:7])-[F:20].[N:4]-[C:17]-[c:16]:1:[c:15]:[c:14]:[c:13](-[O:12]-[C:11]):[c:19]:[c:18]:1	2	385,386
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9].[N:4]-[c:5](:[n:6]):[c:7]	1	387
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[N:4]-[c:5](:[n:6]):[c:7].[C:1]-[C:2](=[O:3])-[O:8]-[C:9]	2	388,389
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[C:1]-[C:2](=[O:3])-[O:8]-[C:9]	1	390
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[C:1]-[C:2](=[O:3])-[O:8].[N+:4](-[c:5]:[c:7]:[n:6])(=[O:9])-[O-:10]	1	391
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[Cl:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	9	392,393,394,395,396,397,398,399,400
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[Cl:6].[N:4](-[c:5])-[C:7](-[C:8])=[O:9]	2	401,402
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[c:5]	2	403,404
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])=[O:9].[N+:4](-[c:5])(=[O:10])-[O-:11]	6	405,406,407,408,409,410
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8].[N:4]-[c:5]	2	411,412
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[c:5]	5	413,414,415,416,417
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	2	418,419
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4]-[c:5]	1	420
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9].[N+:4](-[c:5])(=[O:6])-[O-:7]	1	421
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:10])-[O-:11].[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])=[O:9]	1	422
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:7])-[O-:8].[C:1]-[C:2](=[O:3])-[O:6]	1	423
+[C:1]-[C:2](=[O:3])-[N:5](-[O:4])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8].[O:4]-[N:5]-[C:6]	1	424
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[c:6](:[n:7]):[c:8])-[C:9]-1(-[Br:10])-[C:11](=[O:12])-[N:13]-[C:14]-1>>[C:1]-[C:2](=[O:3])-[O:15]-[C:16](-[C:17])=[O:18].[C:9]-1(-[Br:10])-[C:11](=[O:12])-[N:13]-[C:14]-1.[O:4]-[C:5]-[c:6](:[n:7]):[c:8]	1	425
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]>>[C:5](-[C:6])-[O:8].[C:1]-[C:2](=[O:3])-[O:4]-[C:7]	1	426
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6](:[c:7]):[n:8]>>[O:4]=[C:5](-[c:6](:[c:7]):[n:8])-[O:10]-[C:11]-[C:12].[C:1]-[C:2](=[O:3])-[Cl:9]	1	427
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[C:1]-[C:2](=[O:3])-[O:4].[C:5]-[c:6]	2	428,429
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8](-[C:9])=[O:10].[O:4]=[C:5]-[c:6]	1	430
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[C:5]-[c:6].[C:1]-[C:2](=[O:3])-[O:4]	1	431
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[O:4]=[C:5]-[c:6].[C:1]-[C:2](=[O:3])-[Cl:7]	1	432
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[C:1]-[C:2]#[N:6].[O:4]-[C:5].[O:3]	1	433
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]	2	434,435
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8]	1	436
+[C:1]-[C:2](=[O:3])-[O:4]-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11]>>[C:1]-[C:2](=[O:3])-[O:12]-[C:13]-[C:14].[O:4]-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11]	1	437
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]#[N:7].[O:4]-[C:6]-[C:5].[O:3]-[O:8]	1	438
+[C:1]-[C:2](=[O:3])-[S:4]-[C:5](-[C:6])-[C:7]>>[C:1]-[C:2](-[O:3])=[S:4].[C:5](-[C:6])(-[C:7])-[O:8]	1	439
+[C:1]-[C:2](=[O:3])-[S:4]-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])-[O:8].[C:1]-[C:2](-[O:3])=[S:4]	1	440
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]=[O:3].[c:4](:[c:5])(:[c:6])-[Mg:7]-[Br:8]	1	441
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Mg:7]-[Br:8].[C:1]-[C:2](=[O:3])-[O:9]	1	442
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5]):[c:6].[C:1]-[C:2](=[O:3])-[O:7]	1	443
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:7]:[n:6]>>[C:1]-[C:2]=[O:3].[c:4](:[c:5]):[c:7]:[n:6]	1	444
+[C:1]-[C:2](=[O:3])-[c:4]>>[C:1]-[Mg:5]-[Br:6].[C:2](-[O:3])(-[c:4])=[O:7]	1	445
+[C:1]-[C:2]-1(-[C:3])-[C:4](-[O:5]-[C:7])(-[c:6])-[O:8]-1>>[C:1]-[C:2](-[C:3])-[C:4](-[c:6])=[O:8].[O:5]-[C:7]	1	446
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]:[c:10]-1:[c:9]>>[C:1]-[C:2](-[C:3])=[C:4]-[C:5](=[O:6])-[Cl:11].[N:7]-[c:8]:[c:10]:[c:9]	1	447
+[C:1]-[C:2]-1(-[C:3]-[C:4]-[C:5](=[O:6])-[C:7]=[C:8]-1-[c:9])-[C:10]>>[C:3]=[C:4]-[C:5](=[O:6])-[C:7].[C:1]-[C:2](-[C:8](-[c:9])=[O:11])-[C:10]	2	448,449
+[C:1]-[C:2]-1(-[C:3]-[N:4]-[C:5](=[O:6])-[C:7]-1)-[C:8]>>[C:1]-[C:2](=[C:7]-[C:5](=[O:6])-[O:11]-[C:10]-[C:9])-[C:8].[C:3]-[N+:4](=[O:12])-[O-:13]	1	450
+[C:1]-[C:2]-1-[C:3]-[C:4](-[c:5])=[N:6]-[O:7]-1>>[C:1]-[C:2]=[C:3].[C:4](-[c:5])=[O:8].[N:6]-[O:7]	1	451
+[C:1]-[C:2]-1-[C:3]-[C:4](-[c:5])=[N:6]-[O:7]-1>>[C:1]-[C:2]=[C:3].[N:6]-[O:7].[C:4](-[c:5])=[O:8]	1	452
+[C:1]-[C:2]-1-[C:3]-[O:4]-1>>[O:4]-[O:25]-[C:26](=[O:27])-[c:28]:1:[c:29]:[c:30]:[c:31]:[c:32](-[Cl:33]):[c:34]:1.[C:3]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3.[C:1]-[C:2]=[O:24]	1	453
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[N:6]-[c:7])-[C:8](=[O:9])-[N:10]-[N:11]-1>>[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:12]-[C:13]-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[C:8](=[O:9])-[N:10]-[N:11]-1.[N:6]-[c:7]	1	454
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[N:6]-[c:7])-[C:8](=[O:9])-[N:10]-[N:11]-1>>[N+:6](-[c:7])(=[O:13])-[O-:14].[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:12])-[C:8](=[O:9])-[N:10]-[N:11]-1	1	455
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[Br:4].[C:1]-[C:2](-[O:5])=[O:6]	1	456
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2](-[O:8])=[O:9]	2	457,458
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2](-[O:8]-[C:10]-[C:11])=[O:9]	1	459
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2]-[O:8]-[C:9](-[C:10])=[O:11]	1	460
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2]-[O:8]-[C:9]-1-[C:10]-[C:11]-[C:12]-[C:13]-[O:14]-1	1	461
+[C:1]-[C:2]-[Br:3]>>[Br:3].[C:1]-[C:2]-[O:4]	1	462
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2]-[O:5].[C:3]#[N:4]	3	463,464,465
+[C:1]-[C:2]-[C:3](-[C:4](=[O:5])-[O:6]-[C:7])-[c:8]>>[O:6]-[C:7].[C:1]-[C:2]-[I:10].[C:3](-[C:4](=[O:5])-[O:9])-[c:8]	1	466
+[C:1]-[C:2]-[C:3](-[O:4])-[C:5]>>[C:1]-[C:2]-[Mg:6]-[Br:7].[C:3](-[O:4])-[C:5]	1	467
+[C:1]-[C:2]-[C:3](=[O:4])-[N:5]>>[C:3]#[N:5].[C:1]-[C:2]-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10].[O:4]-[O:11]	1	468
+[C:1]-[C:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]=[O:7].[C:3](-[C:4](=[O:5])-[O:6])=[P:8](-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)(-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2)-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:3	1	469
+[C:1]-[C:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[C:1]-[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	2	470,471
+[C:1]-[C:2]-[C:3]-[C:4]>>[C:3](-[C:4])=[O:5].[C:1]-[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	3	472,473,474
+[C:1]-[C:2]-[C:3]-[O:4]>>[C:1]-[C:2]=[C:3]-[O:4]-[C:5]	1	475
+[C:1]-[C:2]-[C:3]-[O:4]>>[O:4]-[O:25].[C:3]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3.[C:1]-[C:2]=[O:24]	1	476
+[C:1]-[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:6])-[Br:7]	2	477,478
+[C:1]-[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Br:7].[C:1]-[C:2]=[C:3]	1	479
+[C:1]-[C:2]-[C:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[C:1]-[C:2]#[C:3].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:9]	1	480
+[C:1]-[C:2]-[C:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:9].[C:1]-[C:2]#[C:3]	1	481
+[C:1]-[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])=[O:5].[C:1]-[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	1	482
+[C:1]-[C:2]-[Cl:3]>>[C:1]-[C:2](=[O:7])-[O:8]-[C:9]-[C:10].[Cl:3]-[S:4](=[O:5])-[Cl:6]	1	483
+[C:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1]-[C:2](-[O:7])=[O:8]	1	484
+[C:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1]-[C:2](-[O:7]-[C:9]-[C:10])=[O:8]	1	485
+[C:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:5](-[Cl:4])=[O:6].[C:1]-[C:2]-[O:7]-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	486
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2](=[O:5])-[O:6]-[C:7]-[C:8].[I:3]-[I:4]	2	487,488
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2](=[O:5])-[O:6].[I:3]-[I:4]	1	489
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2]-[O:4]-[C:5]-1-[C:6]-[C:7]-[C:8]-[C:9]-[O:10]-1.[I:3]	1	490
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2]-[O:4].[I:3]	2	491,492
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[C:6])-[C:7]>>[N:3](-[C:4](=[O:5])-[C:6])-[C:7].[C:1]-[C:2]-[O:8]	1	493
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[C:11]>>[C:1]-[C:2]=[O:12].[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[N:3]-[C:11]	1	494
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[C:11]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[C:2]-[Br:12].[N:3]-[C:11]	1	495
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[C:7]>>[C:5](=[O:6])(-[C:7])-[O:9].[N:3]-[C:4].[C:1]-[C:2]=[O:8]	1	496
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[N:7]>>[C:1]-[C:2]-[Br:8].[C:5](=[O:6])(-[N:7])-[Cl:9].[N:3]-[C:4]	1	497
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](-[Br:6])-[Br:7].[N:3](-[C:4])-[C:5]	1	498
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](-[O:6]-[C:7])-[O:8]-[C:9].[N:3](-[C:4])-[C:5]	1	499
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](-[O:6]-[C:7]-[C:8])-[O:9]-[C:10]-[C:11].[N:3](-[C:4])-[C:5]	1	500
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9].[N:3](-[C:4])-[C:5]	1	501
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](=[O:6])-[O:7].[N:3](-[C:4])-[C:5]	2	502,503
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[Br:6].[C:4]=[O:7].[N:3]-[C:5]	1	504
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[Br:6].[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	3	505,506,507
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[I:6].[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	508
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[O:6].[N:3](-[C:4])-[C:5]	7	509,510,511,512,513,514,515
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]=[O:6].[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	516
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]=[O:6].[N:3](-[C:4])(-[C:5])-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	1	517
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](-[O:6]-[C:7])-[O:8]-[C:9]	1	518
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](=[O:6])-[O:7]	4	519,520,521,522
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](=[O:6])-[O:7]-[C:8]	1	523
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9]	2	524,525
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[Cl:6]	1	526
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:6]	22	527,528,529,530,531,532,533,534,535,536,537,538,539,540,541,542,543,544,545,546,547,548
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:6]-[C:7](-[C:8])=[O:9]	1	549
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:6]-[Si:7](-[C:8](-[C:9])(-[C:10])-[C:11])(-[C:12])-[C:13]	1	550
+[C:1]-[C:2]-[N:3](-[C:4])-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:1]-[C:2]=[O:9].[N:3]-[C:4].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:10]	1	551
+[C:1]-[C:2]-[N:3](-[C:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](-[N:3]-[C:4])=[O:8].[c:5](:[c:6])(:[c:7])-[F:9]	1	552
+[C:1]-[C:2]-[N:3](-[C:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](=[O:9])-[O:10].[N:3]-[C:4].[c:5](:[c:6])(:[c:7])-[F:8]	1	553
+[C:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:6]=[O:7]>>[C:1]-[C:2]-[O:8].[N:3](-[C:4]=[O:5])-[C:6]=[O:7]	1	554
+[C:1]-[C:2]-[N:3](-[C:5]=[O:4])-[C:6]=[O:7]>>[C:1]-[C:2]-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[N:3](-[C:5]=[O:4])-[C:6]=[O:7]	1	555
+[C:1]-[C:2]-[N:3](-[C:5]=[O:4])-[C:6]=[O:7]>>[N:3](-[C:5]=[O:4])-[C:6]=[O:7].[C:1]-[C:2]-[O:8]	1	556
+[C:1]-[C:2]-[N:3](-[c:4])-[C:5]-[C:6]>>[C:1]-[C:2]-[Cl:7].[C:5](-[C:6])-[Cl:8].[N+:3](-[c:4])(=[O:9])-[O-:10]	1	557
+[C:1]-[C:2]-[N:3]-1-[c:4](:[c:5]-[N:7](-[c:8])-[S:9]-1(=[O:10])=[O:11]):[c:6]>>[C:1]-[C:2]-[O:12].[N:3]-[S:9](=[O:10])(=[O:11])-[N:13].[c:4](:[c:5]-[N:7]-[c:8])(:[c:6])-[N:14]	1	558
+[C:1]-[C:2]-[N:3]-[C:4](-[C:5])=[O:6]>>[C:1]-[C:2]#[N:3].[C:4](-[C:5])(=[O:6])-[O:7]	1	559
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[C:6]>>[C:1]-[C:2]#[N:3].[C:4](=[O:5])(-[C:6])-[O:7]	1	560
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]-[O:10]-[S:11](-[c:12]:1:[c:13]:[c:14]:[c:15](-[C:16]):[c:17]:[c:18]:1)(=[O:19])=[O:20].[N-:3]=[N+:9]=[N-:8].[C:4](=[O:5])(-[O:6])-[Cl:7]	1	561
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]-[O:10].[N-:3]=[N+:9]=[N-:8].[C:4](=[O:5])(-[O:6])-[Cl:7]	1	562
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]:[c:7]:[n:8]>>[C:4](-[O:5])(-[c:6]:[c:7]:[n:8])=[O:9].[C:1]-[C:2]#[N:3]	1	563
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:1]-[C:2]#[N:3].[C:4](=[O:5])(-[c:6])-[Cl:7]	3	564,565,566
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:1]-[C:2]#[N:3].[C:4](=[O:5])(-[c:6])-[O:7]	1	567
+[C:1]-[C:2]-[N:3]-[C:4]-[C:5]-[O:6]>>[C:1]-[C:2](-[N:3])=[O:7].[C:4]-1-[C:5]-[O:6]-1	1	568
+[C:1]-[C:2]-[N:3]-[C:4]-[C:5]>>[C:1]-[C:2]-[Br:6].[N:3]#[C:4]-[C:5]	1	569
+[C:1]-[C:2]-[N:3]-[C:4]-[c:5]>>[C:1]-[C:2]#[N:3].[C:4](-[c:5])=[O:6]	1	570
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2](=[O:5])-[O:6]-[C:7].[N:3]-[C:4]	1	571
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2](=[O:5])-[O:6].[N:3]-[C:4]	1	572
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2]-[O:5]-[Si:6](-[C:7])(-[C:8](-[C:9])(-[C:10])-[C:11])-[C:12].[N:3]-[C:4]	1	573
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2]-[O:5].[N:3]-[C:4]	4	574,575,576,577
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3](-[C:4])=[N+:6]=[N-:7].[C:1]-[C:2]=[O:5]	1	578
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2](-[O:5]-[C:6])-[O:7]-[C:8]	1	579
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[Cl:6]	1	580
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[O:6]	2	581,582
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[O:6]-[C:7]-[C:8]	1	583
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[Br:5]	1	584
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[Cl:5]	1	585
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[O:5]	4	586,587,588,589
+[C:1]-[C:2]-[N:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[N:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:13].[C:1]-[C:2]-[O:8]-[S:9](-[C:10])(=[O:11])=[O:12]	1	590
+[C:1]-[C:2]-[N:3]-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1>>[C:1]-[C:2]#[N:3].[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[Cl:10]	1	591
+[C:1]-[C:2]-[N:3]-[c:4]:[c:6]:[n:5]>>[N+:3](-[c:4]:[c:6]:[n:5])(=[O:8])-[O-:9].[C:1]-[C:2]=[O:7]	1	592
+[C:1]-[C:2]-[N:3]-[c:4]>>[N+:3](-[c:4])(=[O:6])-[O-:7].[C:1]-[C:2]=[O:5]	1	593
+[C:1]-[C:2]-[N:3]=[N+:4]=[N-:5]>>[C:1]-[C:2](-[O:6])=[O:7].[N-:3]=[N+:4]=[N-:5]	1	594
+[C:1]-[C:2]-[N:3]=[N+:4]=[N-:5]>>[C:1]-[C:2]-[O:6].[N-:3]=[N+:4]=[N-:5]	5	595,596,597,598,599
+[C:1]-[C:2]-[N:3]=[N+:4]=[N-:5]>>[N-:3]=[N+:4]=[N-:5].[C:1]-[C:2]-[O:6]	1	600
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9].[N-:3]=[N+:5]=[N-:4]	1	601
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8].[N-:3]=[N+:5]=[N-:4]	1	602
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2](=[O:6])-[O:7].[N-:3]=[N+:5]=[N-:4]	1	603
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2]-[O:6].[N-:3]=[N+:5]=[N-:4]	4	604,605,606,607
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[O:6]	1	608
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](-[N:3])=[O:4]	1	609
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](=[O:4])-[O:5].[N:3]	2	610,611
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9].[N-:3]=[N+:5]=[N-:4]	1	612
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8].[N-:3]=[N+:5]=[N-:4]	1	613
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](=[O:6])-[O:7].[N-:3]=[N+:5]=[N-:4]	1	614
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[Br:6].[N-:3]=[N+:5]=[N-:4]	1	615
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[C:4](=[O:5])-[O:6].[N:3](-[P:7](=[O:8])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2)=[N+:21]=[N-:22]	1	616
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[I:14].[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	617
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[I:6].[N-:3]=[N+:5]=[N-:4]	1	618
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:11].[N:3]-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:10]:[c:9]:1	1	619
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:14]-[C:15]-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1.[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	620
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:14]-[S:15](-[C:16])(=[O:17])=[O:18].[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	621
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:14].[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	2	622,623
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10].[N-:3]=[N+:5]=[N-:4]	1	624
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:6]-[S:7](-[c:8]:1:[c:9]:[c:10]:[c:11](-[C:12]):[c:13]:[c:14]:1)(=[O:15])=[O:16].[N-:3]=[N+:5]=[N-:4]	1	625
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:6].[N-:3]=[N+:5]=[N-:4]	6	626,627,628,629,630,631
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]=[O:11].[N:3]-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:10]:[c:9]:1	1	632
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[Br:6]	1	633
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[O:6]	1	634
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10]	1	635
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[O:6]-[S:7](-[c:8]:1:[c:9]:[c:10]:[c:11](-[C:12]):[c:13]:[c:14]:1)(=[O:15])=[O:16]	1	636
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:6].[C:1]-[C:2]-[O:4]	1	637
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:7]=[N-:8].[C:1]-[C:2](=[O:4])-[O:5]-[C:6]	1	638
+[C:1]-[C:2]-[N:3]>>[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13].[C:1]-[C:2]-[O:14]	2	639,640
+[C:1]-[C:2]-[O:11]-[S:8](-[c:7]:1:[c:6]:[c:5]:[c:4](-[C:3]):[c:13]:[c:12]:1)(=[O:9])=[O:10]>>[C:1]-[C:2](-[O:11])=[O:14].[C:3]-[c:4]:1:[c:5]:[c:6]:[c:7](-[S:8](=[O:9])(=[O:10])-[Cl:15]):[c:12]:[c:13]:1	1	641
+[C:1]-[C:2]-[O:3]-[C:4](-[C:5]-[C:6])-[O:7]>>[C:4](=[C:5]-[C:6])-[O:7].[C:1]-[C:2](-[O:3])=[O:8]	1	642
+[C:1]-[C:2]-[O:3]-[C:4](=[O:5])-[C:6]>>[C:1]-[C:2]-[I:7].[C:4](-[C:6])#[N:8].[O:3].[O:5]	1	643
+[C:1]-[C:2]-[O:3]-[C:4]-[c:5]>>[C:1]-[C:2](-[O:3])=[O:6].[C:4](-[c:5])-[Br:7]	1	644
+[C:1]-[C:2]-[O:3]-[C:4]>>[C:1]-[C:2]-[O:5].[O:3]-[C:4]	1	645
+[C:1]-[C:2]-[O:3]-[C:4]>>[C:4]-[I:5].[C:1]-[C:2]=[O:3]	1	646
+[C:1]-[C:2]-[O:3]-[C:4]>>[O:3]-[C:4].[C:1]-[C:2]-[O:5]	1	647
+[C:1]-[C:2]-[O:3]-[N:4]>>[C:1]-[C:2]-[O:15].[O:3]-[N:4]-1-[C:6](=[O:5])-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14]	1	648
+[C:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[C:2](-[O:3])=[O:8].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:9]	1	649
+[C:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[C:2](-[O:3]-[C:10]-[C:11])=[O:9].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:8]	1	650
+[C:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9]-[C:10].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:11]	1	651
+[C:1]-[C:2]-[O:3]-[S:4](=[O:5])(=[O:6])-[c:7]:1:[c:8]:[c:9]:[c:10](-[C:11]):[c:12]:[c:13]:1>>[C:1]-[C:2](=[O:3])-[O:14]-[C:15].[S:4](=[O:5])(=[O:6])(-[c:7]:1:[c:8]:[c:9]:[c:10](-[C:11]):[c:12]:[c:13]:1)-[Cl:16]	1	652
+[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7]>>[C:1]-[C:2](-[O:3])=[O:8].[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:9]	1	653
+[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7]>>[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:11].[C:1]-[C:2](=[O:3])-[O:8]-[C:9]-[C:10]	2	654,655
+[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7]>>[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:8].[C:1]-[C:2]=[O:3]	1	656
+[C:1]-[C:2]-[O:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2](-[O:3])=[O:7].[c:4](:[c:5])(:[c:6])-[O:8]	1	657
+[C:1]-[C:2]-[O:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[O:10].[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9]	1	658
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[Br:5].[O:3](-[c:4])-[C:6]	1	659
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[Br:5].[O:3](-[c:4])-[C:6](=[O:7])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	660
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[Cl:5].[O:3](-[c:4])-[C:6]	1	661
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[I:5].[O:3](-[c:4])-[C:6]	4	662,663,664,665
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[O:5]-[S:6](-[C:7])(=[O:8])=[O:9].[O:3](-[c:4])-[C:10]-[O:11]-[C:12]-[C:13]-[O:14]-[C:15]	1	666
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[O:5].[O:3](-[c:4])-[C:6]	1	667
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[O:5].[O:3]-[c:4]	3	668,669,670
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6](-[C:7])=[O:8].[C:1]-[C:2]-[Br:5]	1	671
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[C:1]-[C:2]-[Br:5]	1	672
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[C:1]-[C:2]-[O:5]	1	673
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6].[C:1]-[C:2]-[Br:5]	2	674,675
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6].[C:1]-[C:2]-[I:5]	1	676
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3]-[c:4].[C:1]-[C:2]-[O:5]	2	677,678
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3])-[C:4]-[O:5]	1	679
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:4])=[O:5]	8	680,681,682,683,684,685,686,687
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:4]-[C:5])-[O:6]-[C:7]-[C:8]	1	688
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:5])=[O:4]	2	689,690
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:5]-[C:4])=[O:6]	2	691,692
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:5]-[C:6])=[O:4]	7	693,694,695,696,697,698,699
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[Si:16]-[C:17](-[C:18])(-[C:19])-[C:20])(-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)-[c:12]:2:[c:5]:[c:4]:[c:15]:[c:14]:[c:13]:2	1	700
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]	1	701
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]	1	702
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2]=[C:4].[O:3]=[Os:5](=[O:6])(=[O:7])=[O:8]	2	703,704
+[C:1]-[C:2]-[O:3]>>[O:3]-[C:4]-[C:5].[C:1]-[C:2]#[N:6]	1	705
+[C:1]-[C:2]-[O:3]>>[O:3].[C:1]-[C:2]#[N:4]	1	706
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[C:2](-[O:7])=[O:8].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9]	1	707
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[C:2](=[O:7])-[O:8].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9]	1	708
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[C:2](=[O:7])-[O:9]-[C:10]-[C:11].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8]	1	709
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:10].[C:1]-[C:2](=[O:7])-[O:8]-[C:9]	2	710,711
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8].[C:1]-[C:2]=[O:7]	1	712
+[C:1]-[C:2]-[S:3](-[C:4])=[O:5]>>[O:5]-[O:11]-[C:12](=[O:13])-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18](-[Cl:19]):[c:20]:1.[C:1]-[C:2]-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10].[S:3]-[C:4]	1	713
+[C:1]-[C:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[C:1]=[C:2]-[Sn:7](-[C:8]-[C:9]-[C:10]-[C:11])(-[C:12]-[C:13]-[C:14]-[C:15])-[C:16]-[C:17]-[C:18]-[C:19].[c:3](:[c:4])(:[c:6]:[n:5])-[Br:20]	1	714
+[C:1]-[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1>>[C:1]-[C:2](=[O:8])-[Cl:9].[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1	1	715
+[C:1]-[C:2]-[c:3]>>[C:1]-[C:2](-[c:3])=[O:4]	1	716
+[C:1]-[C:2]=[C:3](-[C:4]-[O:5]-[c:6](:[c:7]):[c:8])-[C:9]>>[C:1]-[C:2]=[C:3](-[C:4](=[O:5])-[O:10]-[C:11]-[C:12])-[C:9].[c:6](:[c:7])(:[c:8])-[O:13]	1	717
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2]-[C:3](-[C:7])=[O:8].[c:4](:[c:5])(:[c:6])-[Br:9]	2	718,719
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2]-[C:3](-[C:7])=[O:8].[c:4](:[c:5]):[c:6]	1	720
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[c:4](:[c:5])(:[c:6])-[Br:9].[C:1]-[C:2]-[C:3](-[C:7])=[O:8]	1	721
+[C:1]-[C:2]=[C:3]-[C:4](-[O:5])-[C:6]>>[C:1]-[C:2]-[O:13].[C:3](-[C:4](=[O:5])-[C:6])-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:7]	2	722,723
+[C:1]-[C:2]=[C:3]-[C:4](-[O:5])-[C:6]>>[C:1]-[C:2]=[O:7].[C:3](-[C:4](=[O:5])-[C:6])-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:13]	3	724,725,726
+[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[C:6]>>[C:1]-[C:2]-[O:13].[C:3](-[C:4](=[O:5])-[C:6])-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:7]	2	727,728
+[C:1]-[C:2]=[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[C:1]-[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	2	729,730
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]-[C:2](-[O:5])=[O:6].[C:3](-[c:4])-[P+:7](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	1	731
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]-[C:2]-[C:3](-[c:4])=[O:5]	2	732,733
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]-[C:2]-[O:5].[C:3](-[c:4])-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	1	734
+[C:1]-[C:2]=[C:3]>>[C:1]-[C:2]-[O:23].[C:3]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:4]:[c:22]:[c:21]:[c:20]:[c:19]:3	1	735
+[C:1]-[C:2]=[N:3]-[O:4]>>[C:1]-[C:2](-[O:5])=[O:6].[N:3]-[O:4]	1	736
+[C:1]-[C:2]=[N:3]-[O:4]>>[C:1]-[C:2](-[O:5]-[C:6]-[C:7])-[O:8]-[C:9]-[C:10].[N:3]-[O:4]	1	737
+[C:1]-[C:2]=[N:3]-[O:4]>>[C:1]-[C:2]-[O:5].[N:3]-[O:4]	2	738,739
+[C:1]-[C:2]=[N:3]-[c:4]>>[C:1]-[C:2](=[O:5])-[O:6]-[C:7]-[C:8].[N:3]-[c:4]	1	740
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](-[O:3])=[O:4]	2	741,742
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](-[O:3]-[C:4])=[O:5]	1	743
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]	3	744,745,746
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:5]	4	747,748,749,750
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]	5	751,752,753,754,755
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-[O:3]-[C:4]	1	756
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-[O:3]-[C:4](=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	1	757
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10]	1	758
+[C:1]-[C:2]>>[C:1](-[C:2])-[O:3]	1	759
+[C:1]-[C:3](-[C:2])-[N:4]=[N+:6]=[N-:5]>>[N-:4]=[N+:6]=[N-:5].[C:1]-[C:3](-[C:2])-[O:7]	1	760
+[C:1]-[C:3](-[C:2])-[N:4]>>[N-:4]=[N+:6]=[N-:5].[C:1]-[C:3](-[C:2])-[O:7]	1	761
+[C:1]-[C:3](-[C:2])-[N:4]>>[N-:4]=[N+:6]=[N-:5].[C:1]-[C:3](-[C:2])-[O:7]-[S:8](-[c:9]:1:[c:10]:[c:11]:[c:12](-[C:13]):[c:14]:[c:15]:1)(=[O:16])=[O:17]	1	762
+[C:1]-[C:3](-[c:2])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:3](-[c:2])=[O:7]	1	763
+[C:1]-[C:3](-[c:2])=[N:4]>>[C:1]-[C:3](-[c:2])=[O:11].[N:4]-[S:9](-[C:6](-[C:5])(-[C:7])-[C:8])=[O:10]	1	764
+[C:1]-[C:4](-[N:2]-[c:3])=[O:5]>>[C:1]-[C:4](=[O:5])-[O:6].[N+:2](-[c:3])(=[O:7])-[O-:8]	1	765
+[C:1]-[C:4](-[N:3]-[c:2])=[O:5]>>[c:2]-[N:3].[C:1]-[C:4](=[O:5])-[O:6]	1	766
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])-[O:7].[C:1]-[N:2]-[C:6]	1	767
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])=[O:14].[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	768
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])=[O:14].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	769
+[C:1]-[N:2](-[C:3](-[C:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[C:4])(-[c:5])-[O:7]	1	770
+[C:1]-[N:2](-[C:3](-[C:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[C:4])(-[c:5])=[O:7]	1	771
+[C:1]-[N:2](-[C:3](-[C:4])=[O:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:3](-[C:4])(=[O:5])-[Cl:14]	1	772
+[C:1]-[N:2](-[C:3](-[C:4])=[O:6])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(=[O:6])-[O:7]-[C:8]-[C:9]	1	773
+[C:1]-[N:2](-[C:3](-[C:4])=[O:6])-[C:5]>>[C:3](-[C:4])(=[O:6])-[O:14].[C:1]-[N:2](-[C:5])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	774
+[C:1]-[N:2](-[C:3](-[c:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[c:4])(-[c:5])-[O:7]	1	775
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5](-[F:6])(-[F:7])-[F:8])-[C:9](-[C:10])-[C:11]>>[C:3](=[O:4])(-[C:5](-[F:6])(-[F:7])-[F:8])-[O:13]-[C:14](=[O:15])-[C:16](-[F:17])(-[F:18])-[F:19].[C:9](-[C:10])(-[C:11])=[O:12].[C:1]-[N:2]	1	776
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6](-[C:7])-[C:8]>>[C:3](=[O:4])(-[C:5])-[O:10].[C:6](-[C:7])(-[C:8])=[O:9].[C:1]-[N:2]	1	777
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[C:5])-[O:7]	1	778
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[C:5])-[O:7]-[C:8]	2	779,780
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[C:5])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]	3	781,782,783
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[Cl:14].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	784
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:14].[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	3	785,786,787
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:14].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	788
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:14].[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	4	789,790,791,792
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:7]-[C:8]-[C:9].[C:1]-[N:2]-[C:6]	1	793
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:7]-[C:8].[C:1]-[N:2]-[C:6]	1	794
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5]-[C:6]-[c:7])-[C:8]>>[C:3](=[O:4])(-[C:5]=[C:6]-[c:7])-[O:9].[C:1]-[N:2]-[C:8]	1	795
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[C:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[N:5]-[C:6].[C:3](=[O:4])(-[n:15]:1:[c:16]:[c:17]:[n:18]:[c:19]:1)-[n:20]:2:[c:21]:[c:22]:[n:23]:[c:24]:2	1	796
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[C:3](=[O:4])=[N:5]-[c:6]	1	797
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](=[O:4])(-[O:8]-[C:9](-[Cl:10])(-[Cl:11])-[Cl:12])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17].[N+:5](-[c:6])(=[O:18])-[O-:19]	1	798
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:3](=[O:4])(-[O:5])-[Cl:14]	1	799
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:3](=[O:4])(-[O:5])-[Cl:14]	1	800
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:3](=[O:4])(-[O:5])-[Cl:14].[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	2	801,802
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10](-[C:11])-[C:12]>>[C:1]-[N:2].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:14]-[C:15](-[O:16]-[C:17](-[C:18])(-[C:19])-[C:20])=[O:21].[C:10](-[C:11])(-[C:12])=[O:13]	1	803
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10]>>[C:1]-[I:11].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:2]-[C:10]	2	804,805
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10]>>[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:18]-[C:19](-[O:20]-[C:21](-[C:22])(-[C:23])-[C:24])=[O:25].[C:1]-[N:2](-[C:10])-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	1	806
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]):[n:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[C:9](-[Cl:10])(-[Cl:11])-[Cl:12]	1	807
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]):[s:7])-[c:8]>>[C:1]-[N:2]-[c:8].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:9]-[C:10]	1	808
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:10]-[C:11]	1	809
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8])-[C:9]>>[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:10]-[C:11]-[C:12].[C:1]-[N:2]-[C:9]	1	810
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[n:6]):[c:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:9]-[C:10]-[C:11]	1	811
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[n:6]):[c:7])-[C:8]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:9]-[C:10]-[C:11].[C:1]-[N:2]-[C:8]	1	812
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:3](=[O:4])(-[c:5])-[Cl:14]	1	813
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[c:5])-[O:7]-[C:8]	2	814,815
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[c:5])-[O:7]-[C:8]-[C:9]	2	816,817
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1)-[C:10]>>[C:1]-[N:2]-[C:10].[C:3](=[O:4])(-[C:12](-[Cl:11])(-[Cl:13])-[Cl:14])-[Cl:15].[c:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1	1	818
+[C:1]-[N:2](-[C:3])-[C:4](-[C:5])=[O:6]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(=[O:6])-[O:7]-[C:8]	1	819
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6])-[O:7]-[C:8]-[C:9]	2	820,821
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:4](=[O:5])(-[C:6])-[Cl:14].[C:1]-[N:2](-[C:3])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	822
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[C:1]-[N:2]-[C:3].[N:6](-[C:7])-[C:8].[C:4](=[O:5])(-[O:16]-[c:15]:1:[c:14]:[c:13]:[c:12](-[N+:10](=[O:9])-[O-:11]):[c:18]:[c:17]:1)-[Cl:19]	1	823
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[C:1](-[O:21]-[C:20]-[C:19])(=[O:22])-[Cl:23].[N:2]-[C:3]	1	824
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:15]-[C:16](-[O:17]-[C:18](-[C:19])(-[C:20])-[C:21])=[O:22].[C:1](-[N:2]-[C:3])(-[O:11]-[C:12]-[C:13])=[O:14]	1	825
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[N:2]-[C:3].[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[C:1]-[I:11]	1	826
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]):[n:8]>>[C:4](-[O:5]-[C:9]-[C:10])(-[c:6](:[c:7]):[n:8])-[O:11]-[C:12]-[C:13].[C:1]-[N:2]-[C:3]	1	827
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]):[n:8]>>[C:4](=[O:5])-[c:6](:[c:7]):[n:8].[C:1]-[N:2]-[C:3]	1	828
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]:[s:8]):[n:9]>>[C:4](=[O:5])(-[c:6](:[c:7]:[s:8]):[n:9])-[O:10]-[C:11]-[C:12].[C:1]-[N:2]-[C:3]	1	829
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[n:7]):[c:9]:[n:8]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6](:[n:7]):[c:9]:[n:8])-[O:10]-[C:11]	1	830
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]>>[C:1]-[N:2].[C:3]-[I:8].[C:4](=[O:5])(-[c:6])-[O:7]	1	831
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[N:7](-[C:8])-[c:9]>>[C:4](-[C:5](=[O:6])-[Cl:11])-[Cl:10].[C:1]-[N:2]-[C:3].[N:7](-[C:8])-[c:9]	1	832
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[C:4](-[C:5](=[O:6])-[Cl:10])-[Cl:9].[C:1]-[N:2]-[C:3].[N+:7](-[c:8])(=[O:11])-[O-:12]	1	833
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[C:4](-[C:5](=[O:6])-[Cl:10])-[Cl:9].[C:1]-[N:2]-[C:3].[N:7]-[c:8]	1	834
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(=[O:6])-[O:7]-[C:8]	1	835
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(=[O:6])-[O:7]-[C:8]-[C:9]	1	836
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])-[O:6]	3	837,838,839
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:4](-[C:5])(=[O:6])-[O:7].[C:1]-[N:2]-[C:3]	2	840,841
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:4](-[C:5])-[O:6].[C:1]-[N:2]-[C:3]	1	842
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2]-[C:3].[C:4]-[c:5](:[n:6]):[c:7]	1	843
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5])(=[O:6])-[O:7]	1	844
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]-[I:5].[N:2](-[C:3])(-[C:4])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	2	845,846
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]=[O:5].[N:2](-[C:3])(-[C:4])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	2	847,848
+[C:1]-[N:2](-[C:3])-[C:5](-[O:4])=[O:6]>>[O:4]-[C:5](=[O:6])-[Cl:14].[C:1]-[N:2](-[C:3])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	849
+[C:1]-[N:2](-[C:3])-[C:5]-[C:4]>>[C:4]-[C:5](=[O:6])-[O:7].[C:1]-[N:2]-[C:3]	1	850
+[C:1]-[N:2](-[C:3])-[C:6](=[N:5]-[c:4])-[N:7]>>[C:6](#[N:7])-[Br:10].[C:1]-[N:2]-[C:3].[c:4]-[N+:5](=[O:8])-[O-:9]	1	851
+[C:1]-[N:2](-[C:3])-[S:4](=[O:5])(=[O:6])-[c:7]>>[C:1]-[N:2].[C:3]-[I:9].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:8]	1	852
+[C:1]-[N:2](-[C:3])-[c:4]:1:[c:5]:[c:6]:[n:7]:[n:8]:1>>[C:1]-[N:2]-[C:3].[c:4]:1:[c:5]:[c:6]:[n:7]:[n:8]:1	1	853
+[C:1]-[N:2](-[C:3]-[C:4](=[C:5](-[Cl:6])-[C:7])-[N:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3]-[C:4](=[C:5](-[Cl:6])-[C:7])-[N:8]	1	854
+[C:1]-[N:2](-[C:3]-[C:4](=[O:5])-[N:6]-[c:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[C:4](=[O:5])-[Cl:10])-[Cl:9].[N:6]-[c:7]	1	855
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[C:4])-[Br:13]	1	856
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[C:4])=[O:13]	1	857
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(-[O:6]-[C:7])-[O:8]-[C:9]	2	858,859
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(-[O:6]-[C:7]-[C:8])-[O:9]-[C:10]-[C:11]	1	860
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(=[O:6])-[O:7]	5	861,862,863,864,865
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])-[Cl:6]	1	866
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])-[O:6]	13	867,868,869,870,871,872,873,874,875,876,877,878,879
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])=[C:6]	1	880
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])(-[O:6]-[C:7]-[C:8])-[O:9]-[C:10]-[C:11].[C:1]-[N:2]-[C:5]	1	881
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:13].[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	3	882,883,884
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:16].[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	885
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:9].[C:1]-[N:2](-[C:5])-[C:6]-[C:7]=[C:8]	1	886
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Cl:13].[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	3	887,888,889
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[O:6].[C:1]-[N:2]-[C:5]	2	890,891
+[C:1]-[N:2](-[C:3]-[C:4])-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:1]-[N:2].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:9].[C:3](-[C:4])-[Br:10]	1	892
+[C:1]-[N:2](-[C:3]-[C:4])-[c:5]>>[C:1]-[I:7].[N:2](-[C:3](-[C:4])=[O:6])-[c:5]	1	893
+[C:1]-[N:2](-[C:3]-[C:4])-[c:5]>>[C:1]=[O:6].[N:2](-[C:3](-[C:4])=[O:7])-[c:5]	1	894
+[C:1]-[N:2](-[C:3]-[C:4]=[C:5])-[C:6]>>[C:1]=[O:7].[N:2](-[C:3]-[C:4]=[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	895
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]:[n:6]):[n:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[c:4](:[c:5]:[n:6]):[n:7])-[O:9]	1	896
+[C:1]-[N:2](-[C:3]-[c:4](:[n:5]):[c:6])-[C:7]>>[C:3]-[c:4](:[n:5]):[c:6].[C:1]-[N:2]-[C:7]	1	897
+[C:1]-[N:2](-[C:3]-[c:4](:[n:5]):[n:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:3](-[c:4](:[n:5]):[n:6])=[O:15]	1	898
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[C:7]>>[C:1]-[N:2]-[C:5](=[O:6])-[C:7].[C:3]-[c:4]	1	899
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[C:7]>>[C:3](-[c:4])=[O:8].[C:1]-[N:2].[C:5](=[O:6])(-[C:7])-[O:9]	1	900
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:3](-[c:4])-[Br:12].[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[N:2]	1	901
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:3](-[c:4])=[O:12].[C:1]-[N:2].[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20]	1	902
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[N:2].[C:3](-[c:4])=[O:12]	2	903,904
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]>>[C:1]-[N:2].[C:3](-[c:4])=[O:8].[C:5](=[O:6])(-[O:7])-[Cl:9]	1	905
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]-[C:6]-[O:7]>>[C:1]-[N:2].[C:5]-1-[C:6]-[O:7]-1.[C:3](-[c:4])=[O:8]	1	906
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[c:4])-[Br:13]	2	907,908
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[c:4])=[O:13]	3	909,910,911
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[C:3](-[c:4])-[Cl:16]	1	912
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[C:3](-[c:4])=[O:16]	1	913
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[C:3](-[c:4])=[O:13]	2	914,915
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])(-[O:6])=[O:7]	1	916
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])(-[O:6]-[C:7])-[O:8]-[C:9]	1	917
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])-[O:6]	2	918,919
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3]-[c:4]	2	920,921
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:3](-[c:4])=[O:13].[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	922
+[C:1]-[N:2](-[C:3]-[c:4])-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:3](-[c:4])=[O:9].[C:1]-[N:2].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:10]	1	923
+[C:1]-[N:2](-[C:3]-[c:4]:1:[c:5]:[c:6](:[c:7](:[s:8]:1):[c:9]):[n:10])-[C:11]>>[c:4]:1:[c:5]:[c:6](:[c:7](:[s:8]:1):[c:9]):[n:10].[C:1]-[N:2]-[C:11].[C:3](=[O:12])-[N:13](-[C:14])-[C:15]	1	924
+[C:1]-[N:2](-[C:3]-[c:4]:[c:5]:[n:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[C:7](=[O:8])(-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])-[O:15]-[C:16](-[O:17]-[C:18](-[C:19])(-[C:20])-[C:21])=[O:22].[C:1]-[N:2].[C:3](-[c:4]:[c:5]:[n:6])=[O:14]	1	925
+[C:1]-[N:2](-[C:3]-[c:4]:[c:5]:[n:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3]-[c:4]:[c:5]:[n:6]	1	926
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[C:1]-[N:2].[C:7](=[O:8])(-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])-[O:15]-[C:16](-[O:17]-[C:18](-[C:19])(-[C:20])-[C:21])=[O:22].[C:3](-[c:4]:[c:6]:[n:5])=[O:14]	1	927
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](-[c:4]:[c:6]:[n:5])-[O:8]-[C:9]	1	928
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3]-[c:4]:[c:6]:[n:5]	1	929
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7]>>[C:3](-[c:4]:[c:6]:[n:5])=[O:15].[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	930
+[C:1]-[N:2](-[N:3])-[C:8](-[N:4]-[c:5](:[n:6]):[s:7])=[O:9]>>[C:1]-[N:2]-[N:3].[C:8](=[O:9])(-[Cl:10])-[Cl:11].[N:4]-[c:5](:[n:6]):[s:7]	1	931
+[C:1]-[N:2](-[S:3](-[C:4])(=[O:5])=[O:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:15]	1	932
+[C:1]-[N:2](-[S:3](-[C:4])(=[O:5])=[O:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:15]	2	933,934
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[C:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[S:3](=[O:4])(=[O:5])(-[C:6])-[Cl:15]	1	935
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6](:[n:7]):[c:8])-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](=[O:11])-[O:12]-[C:13]-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1.[S:3](=[O:4])(=[O:5])(-[c:6](:[n:7]):[c:8])-[Cl:20]	2	936,937
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:15]	1	938
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:15]	1	939
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9]:[s:10]:1)-[C:11]>>[C:1]-[N:2]-[C:11].[S:3](=[O:4])(-[O:5])(-[Cl:12])=[O:13].[c:6]:1:[c:7]:[c:8]:[c:9]:[s:10]:1	1	940
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6]:[c:8]:[n:7])-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[S:3](=[O:4])(=[O:5])(-[c:6]:[c:8]:[n:7])-[Cl:17]	1	941
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:3](:[c:4])(:[c:5])-[O:14]-[S:15](=[O:16])(=[O:17])-[C:18](-[F:19])(-[F:20])-[F:21]	1	942
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1.[c:3](:[c:4])(:[c:5])-[Br:17]	1	943
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[c:3](:[c:4])(:[c:5])-[F:14].[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	944
+[C:1]-[N:2](-[c:3](:[c:4]):[n:6]:[n:5])-[C:7]>>[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:15].[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	945
+[C:1]-[N:2](-[c:3](:[c:4]):[n:7]:[c:6]:[c:5])-[C:8]>>[C:1]-[N:2](-[C:8])-[C:9](=[O:10])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1.[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:19]	1	946
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5](:[c:6]):[c:7]):[c:8])-[C:9]>>[C:1]-[N:2]-[C:9].[c:3](:[n:4]:[c:5](:[c:6]):[c:7])(:[c:8])-[O:10]	1	947
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])-[C:8]>>[C:1]-[N:2](-[C:8])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:16]	1	948
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])-[C:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:19].[C:1]-[N:2](-[C:8])-[C:9](=[O:10])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1	1	949
+[C:1]-[N:2](-[c:3])-[S:4](-[C:5])(=[O:6])=[O:7]>>[N:2]-[c:3].[C:1]-[I:8].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:9]	1	950
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:17]	1	951
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](=[O:11])-[O:12]-[C:13]-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1.[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:20]	1	952
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:17]	1	953
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1.[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:17]	1	954
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:17].[C:1]-[N:2](-[C:9])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16]	1	955
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5](-[c:6])-[C:7](=[O:8])-[C:9]=[C:10]-1-[C:11]>>[C:1]-[I:12].[N:2]-[C:10](=[C:9]-[C:7](=[O:8])-[O:13]-[C:14]-[C:15])-[C:11].[C:3](=[O:4])(-[N:5]-[c:6])-[O:16]-[C:17]-[C:18]	1	956
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[c:6]:[c:7]-1>>[C:1]-[N:2]-[c:7]:[c:6]-[N+:5](=[O:8])-[O-:9].[C:3](=[O:4])(-[O:10]-[C:11](-[Cl:12])(-[Cl:13])-[Cl:14])-[O:15]-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19]	1	957
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[c:6]:[c:7]-1>>[C:1]-[N:2]-[c:7]:[c:6]-[N+:5](=[O:8])-[O-:9].[C:3](=[O:4])(-[n:10]:1:[c:11]:[c:12]:[n:13]:[c:14]:1)-[n:15]:2:[c:16]:[c:17]:[n:18]:[c:19]:2	3	958,959,960
+[C:1]-[N:2]-1-[C:3]-[c:4]:[c:5]-[C:6]-1=[O:7]>>[C:3]-[c:4]:[c:5]-[C:6](=[O:7])-[O:9]-[C:8].[C:1]-[N:2]	2	961,962
+[C:1]-[N:2]-1-[N:3]-[C:4]-[N:5](-[c:6](:[n:7]):[s:8])-[C:9]-1=[O:10]>>[C:4]=[O:11].[C:1]-[N:2]-[N:3].[N:5](-[c:6](:[n:7]):[s:8])=[C:9]=[O:10]	1	963
+[C:1]-[N:2]-1-[N:3]-[C:4]-[N:5](-[c:6](:[n:7]):[s:8])-[C:9]-1=[O:10]>>[C:4]=[O:13].[C:1]-[N:2]-[N:3].[C:9](=[O:10])(-[Cl:11])-[Cl:12].[N:5]-[c:6](:[n:7]):[s:8]	1	964
+[C:1]-[N:2]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]>>[C:5]-[C:6](-[C:7])(-[C:8])-[O:9]-[C:10](=[O:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[N:2]-[C:3](-[C:4])=[O:12]	1	965
+[C:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:13].[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	966
+[C:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:13].[C:1]-[N:2]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]	2	967,968
+[C:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3]-1(-[C:4])(-[C:5])-[O:6]-[C:7]-[C:8]-[O:9]-1.[C:1]-[N:2]	1	969
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N+:2](=[O:6])-[O-:7].[C:3](-[C:4])(=[O:5])-[O:8]	1	970
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[C:4])(=[O:5])-[Cl:13]	1	971
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N:2].[C:3](-[C:4])(=[O:5])-[O:6]-[C:7]-[C:8]	1	972
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N:2].[O:5].[C:3](-[C:4])#[N:6]	1	973
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[O:16]-[C:17](-[C:18])=[O:19].[C:1]-[N:2]-1-[C:6](-[c:7]:2:[c:8](-[C:9]-1=[O:10]):[c:11]:[c:12]:[c:13]:[c:14]:2)=[O:15]	1	974
+[C:1]-[N:2]-[C:3](-[c:4])=[O:5]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]-[C:7]	1	975
+[C:1]-[N:2]-[C:3](-[c:4])=[O:5]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	976
+[C:1]-[N:2]-[C:3](=[C:4]-[N+:5])-[N:6]-[C:7]>>[N:6]-[C:7].[C:3](=[C:4]-[N+:5])(-[S:9]-[C:8])-[S:10]-[C:11].[C:1]-[N:2]	1	977
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]-1=[C:6](-[O:7])-[c:8](:[n:9]):[c:10]-[N:11]-[C:12]-1=[O:13]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5]-[C:12](-[N:11]-[c:10]:[c:8](-[C:6](=[O:7])-[O:17]-[C:18]-[C:19]):[n:9])=[O:13])-[O:16]-[C:15]-[C:14]	1	978
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]-[N:6](-[C:7])-[C:8]>>[C:3](=[O:4])(-[C:5]-[Cl:9])-[Cl:10].[N:6](-[C:7])-[C:8].[C:1]-[N:2]	1	979
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[C:3](=[O:4])(-[C:5]=[C:6])-[O:7]-[C:8].[C:1]-[N:2]	1	980
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2]-1-[C:6](-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14])=[O:15].[C:3](=[O:4])(-[C:5])-[Cl:16]	1	981
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](=[O:4])(-[C:5])-[O:13]	2	982,983
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]	1	984
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]	3	985,986,987
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]	2	988,989
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8]	6	990,991,992,993,994,995
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:13].[C:1]-[N:2]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]	1	996
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:8].[C:1]-[N:2]=[N+:6]=[N-:7]	1	997
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[C:1]-[N:2]	2	998,999
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8].[C:1]-[N:2]	2	1000,1001
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:1]-[N:2]	1	1002
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7].[C:1]-[N:2]	2	1003,1004
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6].[C:1]-[N:2]	1	1005
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:8].[C:1]-[N:2]=[N+:6]=[N-:7]	1	1006
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5](-[C:6])(-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	1007
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[s:8]>>[N:5]-[c:6](:[n:7]):[s:8].[C:1]-[N:2].[C:3](=[O:4])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	1008
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]:[c:7]:[n:8]>>[C:1]-[N:2].[N:5]-[c:6]:[c:7]:[n:8].[C:3](=[O:4])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	1009
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]-[N:2].[C:3](=[O:4])(-[O:7]-[C:8](-[Cl:9])(-[Cl:10])-[Cl:11])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16].[N+:5](-[c:6])(=[O:17])-[O-:18]	1	1010
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]-[N:2]=[C:3]=[O:4].[N+:5](-[c:6])(=[O:7])-[O-:8]	4	1011,1012,1013,1014
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]-[N:2]=[N+:7]=[N-:8].[C:3](=[O:4])=[N:5]-[c:6]	1	1015
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[C:1]-[N:2]=[N+:10]=[N-:11]	2	1016,1017
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]>>[C:1]-[N:2]=[N+:6]=[N-:7].[C:3](=[O:4])(-[O:5])-[Cl:8]	2	1018,1019
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:8]-[C:9]-[C:10]	1	1020
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:8]-[C:9]-[C:10].[C:1]-[N:2]	1	1021
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:8]-[C:9]-[C:10].[C:1]-[N:2]	1	1022
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:9]-[C:10]-[C:11]	1	1023
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[s:8]>>[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[s:8])-[O:9]-[C:10]-[C:11].[C:1]-[N:2]	1	1024
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2]-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:15]	1	1025
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:8]-[C:9]-[C:10]	1	1026
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1>>[C:3](=[O:4])(-[C:13](-[F:10])(-[F:11])-[F:12])-[O:14]-[C:15](-[C:16](-[F:17])(-[F:18])-[F:19])=[O:20].[C:1]-[N:2].[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1	1	1027
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[O:10]	1	1028
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[O:10]-[C:11]-[C:12]	1	1029
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]-[N:7]-[C:8](=[O:9])-[c:10](:[c:11]):[n:12]>>[C:8](-[c:10](:[c:11]):[n:12])(=[O:13])-[O:14].[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:[c:6]-[N:7])-[O:9]	1	1030
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9]-[C:10]	1	1031
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[C:8](-[F:9])(-[F:10])-[F:11].[C:1]-[N:2]	1	1032
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9]-[C:10].[C:1]-[N:2]	5	1033,1034,1035,1036,1037
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9].[C:1]-[N:2]	2	1038,1039
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:7]:[n:6]>>[C:3](=[O:4])(-[c:5]:[c:7]:[n:6])-[O:8]-[C:9].[C:1]-[N:2]	1	1040
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[c:5])-[O:8]	1	1041
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](=[O:4])(-[c:5])-[Cl:13]	1	1042
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]	6	1043,1044,1045,1046,1047,1048
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7]	6	1049,1050,1051,1052,1053,1054
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7]-[C:8]	2	1055,1056
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[O:4].[C:3](-[c:5])#[N:6]	2	1057,1058
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2]=[N+:6]=[N-:7].[C:3](=[O:4])(-[c:5])-[Cl:8]	3	1059,1060,1061
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6]-[C:7].[C:1]-[N:2]	5	1062,1063,1064,1065,1066
+[C:1]-[N:2]-[C:3](=[O:4])-[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[c:9]>>[C:1]-[N:2].[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[c:9].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11]:[c:17]:[c:16]:1)-[Cl:18]	1	1067
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[N:2]=[C:3]=[S:4].[N:5](-[C:6])(-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	1068
+[C:1]-[N:2]-[C:3]-[C:4](-[C:5])-[C:6]>>[C:1]-[N:2].[C:3](=[C:4](-[C:5])-[C:6])-[O:7]-[C:8]	1	1069
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])(-[O:5])=[O:6]	1	1070
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])(=[O:5])-[O:6]	2	1071,1072
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])(=[O:5])-[O:6]-[C:7]-[C:8]	2	1073,1074
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])-[O:5]	6	1075,1076,1077,1078,1079,1080
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2]=[N+:5]=[N-:6].[C:3](-[C:4])=[O:7]	1	1081
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[C:1]-[N:2]	2	1082,1083
+[C:1]-[N:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:1]-[N:2].[C:3](-[c:4](:[n:5]):[c:6])-[O:7]	2	1084,1085
+[C:1]-[N:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:1]-[N:2].[C:3](-[c:4]:[c:5]:[n:6])(=[O:7])-[O:8]-[C:9]	1	1086
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2]-[C:5](-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])=[O:11].[C:3](-[c:4])=[O:12]	1	1087
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[Cl:6]	1	1088
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]	1	1089
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]-[C:7]	1	1090
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]-[C:7]-[C:8]	1	1091
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])-[O:5]	2	1092,1093
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3]-[c:4]	1	1094
+[C:1]-[N:2]-[C:3]=[O:4]>>[C:3](=[O:4])-[O:7].[C:1]-[N+:2](=[O:5])-[O-:6]	1	1095
+[C:1]-[N:2]-[C:3]>>[C:1](-[O:6]-[C:5]-[C:4])(=[O:7])-[Cl:8].[N:2]-[C:3]	1	1096
+[C:1]-[N:2]-[C:3]>>[C:1](=[O:4])-[O:5]-[C:6]-[C:7].[N:2]-[C:3]	1	1097
+[C:1]-[N:2]-[C:3]>>[C:1]-1-[O:4]-[C:5]-[C:6]-[C:7]-1.[N+:2](-[C:3])(=[O:8])-[O-:9]	1	1098
+[C:1]-[N:2]-[C:3]>>[C:1]-[I:11].[N:2](-[C:3])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]	1	1099
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:4]	1	1100
+[C:1]-[N:2]-[C:3]>>[N:2]-[C:3].[C:1]-[I:4]	1	1101
+[C:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[C:1]-[N:2]-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:14]	2	1102,1103
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[C:6]>>[S:3](=[O:4])(=[O:5])(-[C:6])-[Cl:14].[C:1]-[N:2]-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1104
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[C:6]>>[S:3](=[O:4])(=[O:5])(-[C:6])-[Cl:17].[C:1]-[N:2]-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	1	1105
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[c:8]>>[C:1]-[N:2].[S:3](=[O:4])=[O:5].[c:6](:[c:7])(:[c:8])-[N:9]	1	1106
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[C:1]-[N:2]-1-[C:7](=[O:8])-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-[C:15]-1=[O:16].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:17]	1	1107
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[S:3](=[O:4])(=[O:5])(-[c:6])-[O:7].[C:1]-[N:2]	1	1108
+[C:1]-[N:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[N:2]=[N+:6]=[N-:7].[c:3](:[c:4])(:[c:5])-[F:8]	2	1109,1110
+[C:1]-[N:2]-[c:3](:[c:4]):[n:6]:[n:5]>>[C:1]-[N:2].[c:3](:[c:4])(:[n:6]:[n:5])-[O:7]	1	1111
+[C:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[N:2].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[O:8]	1	1112
+[C:1]-[N:2]-[c:3]:1:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1>>[C:1]-[N:2]-1-[C:11](=[O:12])-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2-[C:19]-1=[O:20].[c:3]:1(:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1)-[Cl:21]	1	1113
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	3	1114,1115,1116
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9].[C:1]-[N:2]	1	1117
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1>>[C:1]-[N:2]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1)-[Cl:16]	2	1118,1119
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:10]-[C:9]	1	1120
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:11].[C:1]-[N:2]=[N+:9]=[N-:10]	1	1121
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[s:9]>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[s:9])-[O:10]	1	1122
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:16]	1	1123
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:16]	1	1124
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	1	1125
+[C:1]-[N:2]-[c:3]>>[C:1]=[O:4].[N+:2](-[c:3])(=[O:5])-[O-:6]	2	1126,1127
+[C:1]-[N:3](-[C:2])-[C:4](-[N:5]-[N:6])=[O:7]>>[C:4](=[O:7])(-[O:8]-[C:9](-[Cl:10])(-[Cl:11])-[Cl:12])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17].[C:1]-[N:3]-[C:2].[N:5]-[N:6]	1	1128
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[C:6]>>[C:4](-[O:5])(-[C:6])=[O:14].[C:1]-[N:3](-[C:2])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1129
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[C:1]-[N:3]-[C:2].[C:4](=[O:5])(-[O:16]-[c:15]:1:[c:14]:[c:13]:[c:12](-[N+:10](=[O:9])-[O-:11]):[c:18]:[c:17]:1)-[Cl:19]	1	1130
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[N:6]-[c:7]>>[C:4](=[O:5])=[N:6]-[c:7].[C:1]-[N:3](-[C:2])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	1	1131
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[c:6](:[c:7]:[s:8]):[n:9]>>[C:1]-[N:3](-[C:2])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[C:4](=[O:5])(-[c:6](:[c:7]:[s:8]):[n:9])-[O:17]	1	1132
+[C:1]-[N:3](-[C:2])-[C:4]-[C:5]>>[C:1]-[N:3]-[C:2].[C:4](-[C:5])-[O:6]	1	1133
+[C:1]-[N:3](-[C:2])-[C:4]-[c:5](:[c:6]):[c:7]>>[C:1]-[N:3]-[C:2].[C:4](=[O:8])-[N:9](-[C:10])-[C:11].[c:5](:[c:6])(:[c:7])-[Br:12]	1	1134
+[C:1]-[N:3](-[C:2])-[N:4]>>[C:1]-[N:3]-[C:2].[N:4](-[O:5])=[O:6]	1	1135
+[C:1]-[N:3](-[C:2])-[N:4]>>[C:1]-[N:3]-[C:2].[N:4](=[O:5])-[O:6]	1	1136
+[C:1]-[N:3](-[C:2])-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[N:3](-[C:2])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:18]	1	1137
+[C:1]-[N:3](-[C:2])-[S:4](=[O:5])(=[O:6])-[c:7]>>[C:1]-[N:3](-[C:2])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:15]	1	1138
+[C:1]-[N:5]=[C:3](-[C:2])-[N:4]>>[C:1]-[N:5]-[C:3](-[C:2])=[O:6].[N:4]	1	1139
+[C:1]-[O:2]-[C:3](-[C:4])-[c:5]>>[O:2]=[C:3](-[C:4])-[c:5].[C:1]-[I:6]	2	1140,1141
+[C:1]-[O:2]-[C:3](-[c:4](:[n:5]:[c:6]:[c:7]):[c:8])(-[C:9])-[C:10]>>[C:1]-[I:11].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:12].[O:2]=[C:3](-[C:9])-[C:10]	1	1142
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5](-[C:6])-[O:7]>>[C:1]-[O:2].[O:7].[C:3](=[O:4])(-[C:5](-[C:6])-[N:9])-[O:8]	1	1143
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[O:2].[C:3](=[O:4])(-[C:5])-[O:6]	2	1144,1145
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[O:6].[O:2](-[C:3](=[O:4])-[C:5])-[C:7](-[C:8])(-[C:9])-[C:10]	1	1146
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[O:6].[O:2](-[C:3](=[O:4])-[C:5])-[C:7]-[C:8]	1	1147
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[O:2].[N:5](-[C:6])-[C:7].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:17]:[c:16]:1)-[Cl:18]	1	1148
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1]-[O:2].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:17]:[c:16]:1)-[Cl:18]	1	1149
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5]-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1>>[C:1]-[O:2].[C:3](=[O:4])(-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1)-[O:11]-[C:12].[N:5](=[N+:13]=[N-:14])-[P:15](=[O:16])(-[c:17]:1:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:1)-[c:23]:2:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:2	1	1150
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[O:2].[C:3](-[c:5]:[c:6]:[n:7])#[N:8].[O:4]	1	1151
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[O:2].[C:3](=[O:4])(-[c:5])-[O:6]	2	1152,1153
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[O:2].[O:4].[C:3](-[c:5])#[N:6]	1	1154
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6]-[C:7].[C:1]-[O:2]	1	1155
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6].[C:1]-[O:2]	1	1156
+[C:1]-[O:2]-[C:3]-1-[C:4]-[C:5]-[C:6]-[C:7]-[O:8]-1>>[C:1]-[O:2]-[C:9](=[O:10])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1.[C:3]-1-[C:4]-[C:5]-[C:6]=[C:7]-[O:8]-1	1	1157
+[C:1]-[O:2]-[C:3]-[C:4]>>[C:1]-[I:5].[O:2]-[C:3](-[C:4])=[O:6]	1	1158
+[C:1]-[O:2]-[C:3]-[C:4]>>[C:1]-[I:5].[O:2]=[C:3](-[C:4])-[O:6]-[C:7]	1	1159
+[C:1]-[O:2]-[C:3]-[C:4]>>[C:1]-[O:2].[C:3](-[C:4])-[O:5]	1	1160
+[C:1]-[O:2]-[C:3]-[C:4]>>[O:2]=[C:3](-[C:4])-[O:6]-[C:7].[C:1]-[I:5]	1	1161
+[C:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:1]-[O:2].[C:3](-[c:4](:[n:5]):[c:6])-[O:7]	1	1162
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[I:5].[O:2]=[C:3](-[c:4])-[O:6]-[C:7]	1	1163
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[O:2].[C:3]-[c:4]	1	1164
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:3]-[c:4].[C:1]-[O:2]	1	1165
+[C:1]-[O:2]-[C:3]>>[C:1]-[I:4].[O:2](-[C:3])-[Si:5](-[C:6])(-[C:7])-[C:8](-[C:9])(-[C:10])-[C:11]	1	1166
+[C:1]-[O:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[C:1]-[O:2]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:14]	2	1167,1168
+[C:1]-[O:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[C:1]-[O:2]-[Si:7](-[C:8])(-[C:9])-[C:10](-[C:11])(-[C:12])-[C:13].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:14]	1	1169
+[C:1]-[O:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:10].[C:1]-[O:2]-[C:7](-[C:8])=[O:9]	1	1170
+[C:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1>>[S:3](=[O:4])(=[O:5])(-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1)-[Cl:16].[C:1]-[O:2]-[C:13](-[C:14])=[O:15]	1	1171
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[I:6].[c:3](:[c:4])(:[c:5])-[N:9].[O:2]=[N:7]-[O:8]	1	1172
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2]-[Si:6](-[C:7](-[C:8])(-[C:9])-[C:10])(-[C:11])-[C:12].[c:3](:[c:4])(:[c:5])-[O:13]	2	1173,1174
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2].[c:3](:[c:4])(:[c:5])-[O:6]	3	1175,1176,1177
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[N+:7](=[O:8])-[O-:9].[C:1]-[I:6].[O:2]	1	1178
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[N:7].[C:1]-[I:6].[O:2]	1	1179
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:1]-[O:2]	1	1180
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[O:6]-[C:7].[C:1]-[O:2]	1	1181
+[C:1]-[O:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[O:2].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[O:8]	1	1182
+[C:1]-[O:2]-[c:3](:[n:4]:[n:5]):[c:6]>>[C:1]-[O:2].[c:3](:[n:4]:[n:5])(:[c:6])-[O:7]	1	1183
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	2	1184,1185
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	2	1186,1187
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9].[C:1]-[O:2]	1	1188
+[C:1]-[O:5]-[C:4]-[C:3]-[N:2]>>[C:1]-[O:5].[N:2]-[C:3](-[C:4]-[Cl:7])=[O:6]	1	1189
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6]-[C:7]-1-[C:8]-[C:9]-[C:10]-[C:11]-[O:12]-1.[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:13]	1	1190
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:14]	1	1191
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6]-[C:7].[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:8]	2	1192,1193
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6]-[Si:7](-[C:8](-[C:9])(-[C:10])-[C:11])(-[C:12])-[C:13].[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:14]	3	1194,1195,1196
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:13].[C:1]-[O:6]-[C:7]-1-[C:8]-[C:9]-[C:10]-[C:11]-[O:12]-1	1	1197
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:9].[C:1]-[O:6]-[C:7]-[C:8]	1	1198
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1	1	1199
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[N:5](-[C:6])(-[C:7])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1200
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	2	1201,1202
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1203
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1.[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1204
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6]-[C:7]=[C:8])-[C:9]>>[N:5](-[C:6]-[C:7]=[C:8])(-[C:9])-[C:11](=[O:12])-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:10]	1	1205
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6]-[c:7]>>[N:5]#[C:6]-[c:7].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1206
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7].[N+:5](-[c:6])(=[O:8])-[O-:9]	1	1207
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7].[N:5](-[c:6])-[C:8](-[O:9]-[C:10])=[O:11]	1	1208
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[O:7].[N:5]-[c:6]	1	1209
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[C:7]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[O:5]=[C:6](-[C:7])-[O:9]-[C:10]	1	1210
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[C:7]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[O:5]=[C:6](-[C:7])-[O:9]-[C:10]-[C:11]	1	1211
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[C:7]>>[O:5](-[C:6](-[C:7])=[O:9])-[C:10].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1212
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[C:7]>>[O:5]-[C:6](-[C:7])=[O:9].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1213
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[c:7]>>[O:5]=[C:6]-[c:7].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1214
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7].[O:5](-[C:6])-[C:8]-1-[C:9]-[C:10]-[C:11]-[C:12]-[O:13]-1	1	1215
+[C:1]-[S:2]-[C:3]-[C:4]>>[C:3](-[C:4])(-[O:5])=[O:6].[C:1]-[S:2]	1	1216
+[C:1]-[S:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[C:1]-[S:2]	2	1217,1218
+[C:1]-[S:2]-[C:3]-[c:4]>>[C:1]-[S:2].[C:3](-[c:4])-[O:5]	1	1219
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[C:7]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:8].[O:5](-[C:6](-[C:7])=[O:10])-[C:9]	1	1220
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[C:7]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:8].[O:5]=[C:6]-[C:7]	1	1221
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[c:7](:[c:8]):[n:9]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:10].[O:5]=[C:6](-[c:7](:[c:8]):[n:9])-[O:11]-[C:12]-[C:13]	1	1222
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[c:7]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:8].[O:5]=[C:6](-[c:7])-[O:9]	1	1223
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]>>[O:5](-[C:6])-[C:8].[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:7]	1	1224
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[c:6]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:7].[O:5](-[c:6])-[C:8]	2	1225,1226
+[C:1]-[Si:2](-[O:3]-[C:4](=[C:5]-[C:6])-[C:7])(-[C:8])-[C:9]>>[C:1]-[Si:2](-[C:8])(-[C:9])-[O:10]-[S:11](=[O:12])(=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[O:3]-1-[C:4](-[C:5]-[C:6])(-[C:7])-[O:18]-[C:19]-[C:20]-1	1	1227
+[C:1]-[Si:2](-[O:3]-[C:4]-[C:5])(-[C:6])-[C:7]>>[C:1]-[Si:2](-[C:6])(-[C:7])-[Cl:8].[O:3]=[C:4](-[C:5])-[O:9]-[C:10]	1	1228
+[C:1]-[Si:2](-[O:3]-[C:4]-[C:5])(-[C:6])-[C:7]>>[O:3]-[C:4](-[C:5])=[O:9].[C:1]-[Si:2](-[C:6])(-[C:7])-[Cl:8]	1	1229
+[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](-[O:6]):[c:7](:[c:8]):[c:10](:[c:9]):[n:11]:1>>[c:7](:[c:8]):[c:10](:[c:9])-[N+:11](=[O:16])-[O-:17].[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:12]-[C:13]-[C:14])=[O:15]	1	1230
+[C:1]-[c:2]:1:[c:3](-[c:4]):[n:5](-[C:6]):[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:6]-[I:13].[C:1]-[C:2]-[C:3](-[c:4])=[O:11].[N:5](-[c:7](:[c:8]:[c:9]):[c:10])-[N:12]	1	1231
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[n:8]:[n:9]:1>>[C:4](-[C:5](=[O:6])-[O:7])(=[O:10])-[O:12]-[C:13]-[C:14].[C:1]-[C:2](-[C:3])=[O:11].[N:8]-[N:9]	1	1232
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[n:8]:[n:9]:1>>[C:4](-[C:5](=[O:6])-[O:7])(=[O:10])-[O:12]-[C:13]-[C:14].[N:8]-[N:9].[C:1]-[C:2](-[C:3])=[O:11]	1	1233
+[C:1]-[c:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[C:1]-[C:2]#[C:3].[C:4](-[c:5])=[O:8].[N:6]-[O:7]	1	1234
+[C:1]-[c:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:6]-[O:7].[C:1]-[C:2]#[C:3].[C:4](-[c:5])=[O:8]	1	1235
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1-[C:9]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7](:[c:6])-[N:8]-[C:9])-[I:10]	1	1236
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7](:[c:6])-[N:8])-[I:9]	1	1237
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7](:[c:6])-[N:8]-[S:10](-[C:9])(=[O:11])=[O:12])-[I:13]	1	1238
+[C:1]-[c:2]:1:[c:3]:[c:4](:[n:5]:[c:6](-[c:7]):[n:8]:1)-[Cl:9]>>[C:1]-[C:2](-[C:3]-[C:4](=[O:14])-[O:15]-[C:16]-[C:17])=[O:18].[Cl:9]-[P:10](=[O:11])(-[Cl:12])-[Cl:13].[N:5]-[C:6](-[c:7])=[N:8]	1	1239
+[C:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2]#[C:3].[c:4]:1(:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10])-[I:11]	1	1240
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[C:10]):[c:11]:[c:12]:1>>[O:9](-[C:10])-[C:14](-[C:15])=[O:16].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:13]):[c:11]:[c:12]:1	1	1241
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[C:10]-[C:11]):[c:12]:[c:13]:1>>[O:9]=[C:10](-[C:11])-[O:15]-[C:16]-[C:17].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:14]):[c:12]:[c:13]:1	2	1242,1243
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[C:10]-[C:11]):[c:12]:[c:13]:1>>[O:9]=[C:10](-[C:11])-[O:15].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:14]):[c:12]:[c:13]:1	1	1244
+[C:1]-[c:2]:1:[c:3]:[n:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2](-[C:3]-[Br:11])=[O:12].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[Cl:13].[N:10]	1	1245
+[C:1]-[c:2]:1:[c:3]:[n:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2](-[C:3]-[Br:11])=[O:12].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[O:13].[N:10]	1	1246
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:[c:9]:1-[O:10]>>[N:6]-[C:7].[C:1]-[C:2]-1=[C:3]-[N:4]-[C:5](-[N:8]-[C:9]-1=[O:10])=[S:11]	1	1247
+[C:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[N:6]):[n:7]:1>>[C:1]-[C:2](-[C:3])=[O:8].[S:4]=[C:5](-[N:6])-[N:7]	1	1248
+[C:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[N:6]):[n:7]:1>>[C:1]-[C:2](-[C:3]-[Br:8])=[O:9].[S:4]=[C:5](-[N:6])-[N:7]-[C:10](=[O:11])-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	1	1249
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[C:1]-[C:2](=[O:8])-[Cl:9].[N:6]-[O:7].[N:3]#[C:4]-[C:5]	1	1250
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:2:[c:7]:[n:8]:[c:9]:[c:10]:[n:11]:1:2>>[C:1]-[C:2](=[O:12])-[Cl:13].[N:3]-[C:4](-[c:5])-[c:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:[n:11]:1	1	1251
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[n:7]:1>>[C:1]-[C:2](=[O:8])-[O:10].[N:3]-[C:6]-[C:4](-[c:5])=[O:9].[N:7]	1	1252
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[C:1]-[C:2]#[N:3].[S:7]=[P:8](-[O:9]-[C:10]-[C:11])(-[O:12])-[S:13]-[C:14]-[C:15].[C:4](-[c:5])(-[C:6]-[Br:16])=[O:17]	1	1253
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[C:1]-[C:2](=[O:8])-[O:9].[N:3]#[C:4]-[c:5].[N:6]-[O:7]	1	1254
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:3]#[C:4]-[c:5].[C:1]-[C:2](-[O:7])=[O:8].[N:6]-[O:9]	1	1255
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:3]#[C:4]-[c:5].[C:1]-[C:2](=[O:8])-[Cl:9].[N:6]-[O:7]	1	1256
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[C:1]-[C:2](-[N:8]-[c:5](:[c:4](-[N+:3](=[O:10])-[O-:11]):[c:7]):[c:6])=[O:9]	1	1257
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[N:3]-[c:4](:[c:5](:[c:6])-[N:8]):[c:7].[C:1]-[C:2](=[O:9])-[O:10]	1	1258
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[n:6]:1):[c:7]):[c:8]>>[C:1]-[C:2](=[O:9])-[O:10].[N:3]-[c:4](:[c:5](-[N+:6](=[O:11])-[O-:12]):[c:7]):[c:8]	1	1259
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[o:6]:1):[c:7]):[c:8]>>[C:1]-[C:2](=[O:9])-[O:10].[N:3]-[c:4](:[c:5](-[O:6]):[c:7]):[c:8]	1	1260
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[Cl:9]):[c:10]:1>>[C:1]-[C:2](-[C:10]-[C:8](=[O:15])-[O:16]-[C:17]-[C:18])=[O:19].[Cl:9]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[N:3]-[c:4](:[c:5]):[c:7]:[c:6]	1	1261
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[n:10]:1>>[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[N:10].[C:1]-[C:2](=[O:11])-[Cl:12]	1	1262
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](:[c:9]:1)-[Cl:10]>>[C:1]-[C:2](-[C:9]-[C:8](=[O:15])-[O:16]-[C:17]-[C:18])=[O:19].[Cl:10]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[N:3]-[c:4](:[c:5]):[c:7]:[c:6]	1	1263
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]>>[C:1]-[C:2](-[O:12]-[C:13])(-[O:14]-[C:15])-[O:16]-[C:17].[N+:3](-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[C:11])(=[O:18])-[O-:19]	2	1264,1265
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]>>[C:1]-[C:2](=[O:12])-[Cl:13].[N+:3](-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[C:11])(=[O:14])-[O-:15]	2	1266,1267
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]>>[N+:3](-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[C:11])(=[O:14])-[O-:15].[C:1]-[C:2](=[O:12])-[Cl:13]	1	1268
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2:[c:9](-[N:10]):[c:11]:1>>[C:1]-[C:2]-1=[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:11]-1)=[O:12].[N:10]	1	1269
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2:[c:9](-[N:10]-[C:11]):[c:12]:1>>[C:1]-[C:2]-1=[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:12]-1)=[O:13].[N:10]-[C:11]	1	1270
+[C:1]-[c:2]:1:[n:3]:[n:4](-[C:5]):[c:6](-[N:7]):[c:8]:1-[c:9]>>[C:1]-[C:2](=[O:10])-[O:11]-[C:12]-[C:13].[N:3]-[N:4]-[C:5].[C:6](#[N:7])-[C:8]-[c:9]	1	1271
+[C:1]-[c:2]:1:[n:3]:[n:4](-[C:5]):[c:6](-[c:7]):[c:8]:1-[Br:11]>>[Br:11]-[N:12]-1-[C:13](=[O:14])-[C:15]-[C:16]-[C:17]-1=[O:18].[N:3]-[N:4]-[C:5].[C:1]-[C:2](-[C:8]-[C:6](-[c:7])=[O:9])=[O:10]	1	1272
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[C:1]-[C:2](-[C:8]-[C:6]#[N:7])=[O:9].[N:4]-[c:5].[N:3](=[O:10])-[O:11]	1	1273
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[N:3]-[N:4]-[c:5].[C:1]-[C:2](-[C:8]-[C:6](-[N:7])=[O:10])=[O:9]	1	1274
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[N:4]-[c:5].[C:1]-[C:2](-[C:8]-[C:6]#[N:7])=[O:9].[N:3](=[O:10])-[O:11]	1	1275
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:8]:1-[c:7]>>[C:1]-[C:2](-[N:3]-[N:4])=[O:9].[C:5](-[C:6])(-[N:8]-[c:7])=[O:10]	1	1276
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:8]:1-[c:7]>>[C:5](-[C:6])(-[N:8]-[c:7])=[O:10].[C:1]-[C:2](-[N:3]-[N:4])=[O:9]	1	1277
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[o:7]:1>>[C:5](-[C:6])(=[O:7])-[O:9].[C:1]-[C:2](-[N:3]-[N:4])=[O:8]	1	1278
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[o:7]:1>>[C:1]-[C:2](=[O:7])-[O:8]-[C:9].[C:5](#[N:6])-[Br:10].[N:3]-[N:4]	1	1279
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[o:7]:1>>[C:5](#[N:6])-[Br:10].[N:3]-[N:4].[C:1]-[C:2](=[O:7])-[O:8]-[C:9]	1	1280
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]=[C:7]=[O:8]):[s:9]:1>>[C:1]-[C:2](=[O:10])-[O:11].[C:7](=[O:8])(-[Cl:12])-[Cl:13].[N:3]-[N:4]-[C:5](-[N:6])=[S:9]	1	1281
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[C:1]-[C:2](=[O:8])-[Cl:9].[N:3]-[N:4]-[C:5](-[c:6])=[O:7]	1	1282
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[C:1]-[C:2](=[O:8])-[O:9].[N:3]-[N:4]-[C:5](-[c:6])=[O:7]	1	1283
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[C:5](-[c:6])(=[O:7])-[O:9].[C:1]-[C:2](-[N:3]-[N:4])=[O:8]	1	1284
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6]):[n:9]:1:[c:8]:[c:7]>>[C:1]-[C:2](=[O:10])-[O:11].[N:3]-[N:4]-[c:5](:[c:6]):[n:9]:[c:8]:[c:7]	1	1285
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1:2>>[N:3]-[N:4].[c:5]:1(:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1)-[Cl:11].[C:1]-[C:2](=[O:12])-[O:13]-[C:14]	1	1286
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[c:10](:[c:9]):[n:11]:1:2>>[C:1]-[C:2](-[O:12]-[C:13]-[C:14])(-[O:15]-[C:16]-[C:17])-[O:18]-[C:19]-[C:20].[N:3]-[N:4].[c:5]:1(:[c:6]:[n:7]:[c:8]:[c:10](:[c:9]):[n:11]:1)-[Cl:21]	1	1287
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[C:7]>>[N:3](=[N+:4]=[N-:5])-[Si:8](-[C:9])(-[C:10])-[C:11].[C:1]-[C:2](=[O:12])-[O:13].[N:6]-[C:7]	1	1288
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[C:7]>>[N:6]-[C:7].[C:1]-[C:2](=[O:12])-[O:13].[N:3](=[N+:5]=[N-:4])-[Si:9](-[C:8])(-[C:10])-[C:11]	1	1289
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[c:7]>>[N:6]-[c:7].[C:1]-[C:2](=[O:12])-[Cl:13].[N:3](=[N+:4]=[N-:5])-[Si:9](-[C:8])(-[C:10])-[C:11]	1	1290
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2](-[N:3])=[O:7].[N+:4](=[N-:5])=[N-:6]	1	1291
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2](-[N:6]-[C:10]-[C:9]-[C:8]#[N:7])=[O:11].[N:3](=[N+:5]=[N-:4])-[Si:12](-[C:13])(-[C:14])-[C:15]	1	1292
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[N-:4]=[N+:5]=[N-:6].[C:1]-[C:2](-[N:3])=[O:7]	1	1293
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[N:6]-[C:10]-[C:9]-[C:8]#[N:7].[C:1]-[C:2](=[O:15])-[O:16].[N:3](=[N+:5]=[N-:4])-[Si:12](-[C:11])(-[C:13])-[C:14]	1	1294
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:1]-[C:2]#[N:7].[N:3]-[O:9].[O:4]-[C:5](-[C:6])=[O:8]	1	1295
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[N:6](-[C:7])-[C:8]):[n:9]:1>>[N:6](-[C:7])-[C:8].[C:5](#[N:10])-[Br:11].[C:1]-[C:2](-[N:3]-[O:4])=[N:9]	1	1296
+[C:1]-[n:2]:1:[c:3](-[N:4]-[c:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:3](=[N:4]-[c:5])=[S:13].[C:1]-[N:2]-[c:8](:[c:7](-[N+:6](=[O:11])-[O-:12]):[c:10]):[c:9]	1	1297
+[C:1]-[n:2]:1:[c:3](-[N:4]-[c:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:4]-[c:5].[C:1]-[N:2]-[c:8](:[c:7](-[N:6]):[c:10]):[c:9].[C:3](=[S:11])(-[N:12]-1-[C:13](=[O:14])-[C:15]=[C:16]-[C:17]=[C:18]-1)-[N:19]-2-[C:20]=[C:21]-[C:22]=[C:23]-[C:24]-2=[O:25]	1	1298
+[C:1]-[n:2]:1:[c:3](-[c:4]):[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:1]-[N:2]-[c:7](:[c:6](-[N+:5](=[O:10])-[O-:11]):[c:9]):[c:8].[C:3](-[c:4])=[O:12]	1	1299
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:1]-[N:2]-[c:6](:[c:5](-[N+:4](=[O:9])-[O-:10]):[c:8]):[c:7].[C:3](=[O:11])-[O:12]	1	1300
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:3](=[O:11])-[O:12].[C:1]-[N:2]-[c:6](:[c:5](-[N+:4](=[O:9])-[O-:10]):[c:8]):[c:7]	1	1301
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:2>>[C:1]-[N:2]-[c:6]:1:[c:5](-[N+:4](=[O:11])-[O-:12]):[c:10]:[n:9]:[c:8]:[c:7]:1.[C:3](-[O:13]-[C:14]-[C:15])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:20]-[C:21]	1	1302
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:2>>[C:3](-[O:13]-[C:14]-[C:15])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:20]-[C:21].[C:1]-[N:2]-[c:6]:1:[c:5](-[N+:4](=[O:11])-[O-:12]):[c:10]:[n:9]:[c:8]:[c:7]:1	1	1303
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[C:7]>>[C:1]-[N:2].[C:5]-1-[C:6](-[C:7])(-[O:9]-[C:10]-[C:11](-[C:12]-[O:13])(-[O:14])-[O:15]-1)-[O:16].[C:3](#[N:4])-[S:8]	1	1304
+[C:1]-[n:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1-[c:7]>>[C:1]-[N:2]-[N:3].[C:5]-[C:6](-[c:7])=[O:11].[C:4](-[N:9](-[C:8])-[C:10])(-[O:12]-[C:13])-[O:14]-[C:15]	2	1305,1306
+[C:1]=[C:2](-[C:3])-[C:4]-[c:5](:[c:6]):[c:7]>>[C:1]=[C:2](-[C:3])-[C:4]-[Cl:8].[c:5](:[c:6]):[c:7]	1	1307
+[C:1]=[C:2]-[C:3](-[N:4]-[S:5](=[O:6])(=[O:7])-[C:8])=[C:9](-[O:10])-[N:11]>>[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:14].[C:1]=[C:2]-[C:3](-[N+:4](=[O:12])-[O-:13])=[C:9](-[O:10])-[N:11]	1	1308
+[C:1]=[C:2]-[C:3](-[O:4])-[c:5]>>[C:1]=[C:2]-[Mg:6]-[Br:7].[C:3](-[O:4])-[c:5]	1	1309
+[C:1]=[C:2]-[C:3](-[O:4])-[c:5]>>[C:1]=[C:2]-[Mg:6]-[Br:7].[C:3](=[O:4])(-[c:5])-[O:8]	1	1310
+[C:1]=[C:2]-[C:3](-[O:4]-[C:5]-[c:6])=[C:7]-[C:8]>>[C:5](-[c:6])-[Br:16].[C:1]=[C:2]-[C:3](-[O:4]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)=[C:7]-[C:8]	1	1311
+[C:1]=[C:2]-[C:3](=[O:4])-[C:5]>>[C:1]=[C:2]-[Mg:6]-[Br:7].[C:3](=[O:4])(-[C:5])-[O:8]	1	1312
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:8].[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15]	2	1313,1314
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:8]-[C:9].[N:5](-[C:6])-[C:7]	1	1315
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[O:6]>>[N:5]-[O:6].[C:1]=[C:2]-[C:3](=[O:4])-[O:7]-[C:8]	1	1316
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:7].[N+:5](-[c:6])(=[O:8])-[O-:9]	3	1317,1318,1319
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:7].[N:5](-[c:6])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	1320
+[C:1]=[C:2]-[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[C:1]=[C:2]-[C:3]-[C:4]-[Br:8].[N:5](-[C:6])(-[C:7])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1321
+[C:1]=[C:2]-[C:3]-[O:4]-[c:5]>>[C:1]=[C:2]-[C:3]-[Br:6].[O:4](-[c:5])-[C:7]	2	1322,1323
+[C:1]=[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]=[C:2]-[C:3]-[Br:7].[c:4](:[c:5]):[c:6]	4	1324,1325,1326,1327
+[C:1]=[C:2]-[C:3]=[C:4]-[C:5](-[O:6])-[C:7]-[C:8](=[O:9])-[C:10]>>[C:7]-[C:8](=[O:9])-[C:10].[C:1]=[C:2]-[C:3]=[O:11].[C:4](-[C:5]=[O:6])=[P:12](-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)(-[c:19]:2:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:2)-[c:25]:3:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:3	1	1328
+[C:1]=[C:2]-[C:3]>>[C:2](-[C:3])-[O:4].[C:1]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	1329
+[C:1]=[C:2]-[S:3](=[O:4])(=[O:5])-[N:6]-[C:7]-[C:8]>>[C:1](-[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:9])-[Cl:10].[C:7](-[C:8])-[O:21].[N:6]-1-[C:12](-[c:11]:2:[c:16](-[C:15]-1=[O:14]):[c:17]:[c:18]:[c:19]:[c:20]:2)=[O:13]	1	1330
+[C:1]=[C:2]-[S:3](=[O:4])(=[O:5])-[N:6]-[C:7]>>[N:6]-1(-[C:7])-[C:10](-[c:11]:2:[c:12](-[C:13]-1=[O:14]):[c:15]:[c:16]:[c:17]:[c:18]:2)=[O:19].[C:1](-[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:8])-[Cl:9]	1	1331
+[C:1]=[C:2]-[c:3]>>[C:2](-[c:3])-[O:4].[C:1]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	1332
+[Cl:1]-[C:2](-[C:3])-[c:4]>>[Cl:1]-[S:6](-[C:7])(=[O:8])=[O:9].[C:2](-[C:3])(-[c:4])=[O:5]	1	1333
+[Cl:1]-[C:2](-[c:3])-[c:4]>>[Cl:1]-[S:5](=[O:6])-[Cl:7].[C:2](-[c:3])(-[c:4])=[O:8]	1	1334
+[Cl:1]-[C:2]-[C:3]>>[Cl:1]-[S:5](=[O:6])-[Cl:7].[C:2](-[C:3])(=[O:4])-[O:8]-[C:9]-[C:10]	1	1335
+[Cl:1]-[C:2]-[c:3]>>[Cl:1]-[S:4](=[O:5])-[Cl:6].[C:2](-[c:3])=[O:7]	1	1336
+[Cl:1]-[c:2](:[n+:3](:[c:4]:[c:5])-[O-:7]):[c:6]>>[Cl:1]-[P:8](=[O:9])(-[Cl:10])-[Cl:11].[O:7]-[O:12]-[C:13](=[O:14])-[c:15]:1:[c:16]:[c:17](:[c:18]:[c:19]:[c:20]:1)-[Cl:21].[c:2](:[n:3]:[c:4]:[c:5]):[c:6]	1	1337
+[Cl:1]-[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[Cl:1]-[P:7](=[O:8])(-[Cl:9])-[Cl:10].[c:2](:[n:3]:[c:4]:[c:5]):[c:6]	1	1338
+[Cl:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8]:[c:9]:1>>[Cl:1]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[C:2](-[N:3]-[c:4](:[c:5]):[c:7]:[c:6])(-[C:9]=[C:8]-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)=[O:10]	1	1339
+[Cl:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8]:[c:9]:1>>[N:3]-[c:4](:[c:5]):[c:7]:[c:6].[Cl:1]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[C:2](-[C:9]=[C:8]-[c:19]:1:[c:18]:[c:17]:[c:16]:[c:15]:[c:20]:1)(=[O:10])-[Cl:21]	1	1340
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[C:7]-[C:8]=[O:9]>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[O:10].[C:7]-[C:8]=[O:9]	1	1341
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-1(-[c:6])-[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[N:12]-[O:13]-1>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])(-[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[O:14])-[O:15].[N:12]-[O:13]	1	1342
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-1(-[c:6])-[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[N:12]-[O:13]-1>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[O:15].[N:12]-[O:13].[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[O:14]	1	1343
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-1(-[c:6])-[C:7]-[C:8](-[c:9])=[N:10]-[O:11]-1>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[C:7].[N:10]-[O:11].[C:8](-[c:9])=[O:12]	1	1344
+[N+:1]-[C:2]-[C:3]-[c:4]>>[N+:1]-[C:2].[C:3](-[c:4])=[O:5]	1	1345
+[N-:1]=[C:2]=[C:3]-1-[C:4]=[C:5]-[C:6]=[C:7](-[C:8])-[N+:9]-1=[O:10]>>[c:3]:1:[c:4]:[c:5]:[c:6]:[c:7](-[C:8]):[n:9]:1.[N:1]#[C:2]-[Si:11](-[C:12])(-[C:13])-[C:14].[O:10]-[O:15]-[C:16](=[O:17])-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22](-[Cl:23]):[c:24]:1	1	1346
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[C:4](-[C:5])(-[O:6]-[C:8]-[C:7])=[O:9].[N-:1]=[N+:2]=[N-:3]	1	1347
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[C:4](-[C:5])-[O:6].[N-:1]=[N+:2]=[N-:3]	3	1348,1349,1350
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[N-:1]=[N+:2]=[N-:3].[C:4](-[C:5])-[O:6]	3	1351,1352,1353
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[N-:1]=[N+:2]=[N-:3].[C:4](-[C:5])-[O:6]-[C:7]-[C:8]	1	1354
+[N-:1]=[N+:2]=[N:3]-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1>>[N-:1]=[N+:2]=[N-:3].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[O:10]	1	1355
+[N-:1]=[N+:2]=[N:3]-[c:4]>>[N-:1]=[N+:2]=[N-:5].[N+:3](-[c:4])(=[O:6])-[O-:7]	1	1356
+[N:1]#[C:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:17].[N+:1](#[C-:2])-[C:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13]	1	1357
+[N:1]#[C:2]-[C:3](-[N:4]-[C:5](=[O:6])-[O:7])(-[C:8])-[C:9]>>[C:3](-[C:8])(-[C:9])=[O:10].[N:1]#[C:2].[N:4].[C:5](=[O:6])(-[O:7])-[Cl:11]	1	1358
+[N:1]#[C:2]-[C:3](=[C:4](-[c:5])-[Cl:9])-[C:7](-[N:6])=[O:8]>>[N:1]-[C:21]-1-[C:10]-[C:11]-[C:12]-[C:13]-[C:14]-1.[Cl:9]-[P:16](=[O:17])(-[Cl:18])-[Cl:19].[C:2](-[C:3](=[C:4](-[c:5])-[O:15])-[C:7](-[N:6])=[O:8])(=[O:20])-[O:22]-[C:23]-[C:24]	1	1359
+[N:1]#[C:2]-[C:3](=[C:4]-[C:5])-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[C:4](-[C:5])=[O:12].[N:1]#[C:2]-[C:3]-[C:6](=[O:7])-[O:11].[N:8](-[C:9])-[C:10]	3	1360,1361,1362
+[N:1]#[C:2]-[C:3](=[C:4]-[C:5])-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[C:4](-[C:5])=[O:19].[N:8](-[C:9])(-[C:10])-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N:1]#[C:2]-[C:3]-[C:6](=[O:7])-[O:11]	2	1363,1364
+[N:1]#[C:2]-[C:3]-[C:4](-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])=[O:7].[N:1]#[C:2]-[C:3]-[P:8](-[O:9]-[C:10]-[C:11])(=[O:12])-[O:13]-[C:14]-[C:15]	1	1365
+[N:1]#[C:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[N:1]#[C:2]	2	1366,1367
+[N:1]#[C:2]-[C:3]-[C:4]>>[N:1]#[C:2].[C:3](-[C:4])-[O:5]	3	1368,1369,1370
+[N:1]#[C:2]-[C:3]-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:3]=[O:9].[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1.[N:1]#[C:2]	1	1371
+[N:1]#[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])(=[O:5])-[O:6].[N:1]#[C:2]	1	1372
+[N:1]#[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[O:5].[N:1]#[C:2]	3	1373,1374,1375
+[N:1]#[C:2]-[C:3]-[c:4]>>[N:1]#[C:2].[C:3](-[c:4])(-[O:5])=[O:6]	2	1376,1377
+[N:1]#[C:2]-[C:3]-[c:4]>>[N:1]#[C:2].[C:3](-[c:4])-[O:5]	2	1378,1379
+[N:1]#[C:2]-[C:3]-[c:4]>>[N:1]#[C:2].[C:3]-[c:4]	2	1380,1381
+[N:1]#[C:2]-[C:3]>>[C:2](-[C:3])(=[O:4])-[O:5].[N:1]	1	1382
+[N:1]#[C:2]-[c:3](:[c:4]):[c:5]>>[N:1]#[C:2].[c:3](:[c:4]):[c:5]	1	1383
+[N:1]#[C:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[c:3](:[c:4]):[n+:7](:[c:6]:[c:5])-[O-:8].[N:1]#[C:2]-[Si:9](-[C:10])(-[C:11])-[C:12]	1	1384
+[N:1]#[C:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[c:3](:[c:4]):[n:7]:[c:6]:[c:5].[N:1]#[C:2]-[Si:8](-[C:9])(-[C:10])-[C:11]	1	1385
+[N:1]#[C:2]-[c:3](:[c:4]:[n:5]):[c:6]>>[N:1]#[C:2].[c:3](:[c:4]:[n:5]):[c:6]	1	1386
+[N:1]#[C:2]-[c:3](:[n:4]):[c:5]>>[N:1]-[O:6].[C:2](-[c:3](:[n:4]):[c:5])-[O:7]	1	1387
+[N:1]#[C:2]-[c:3](:[n:4]):[c:5]>>[N:1]-[O:6].[C:2](-[c:3](:[n:4]):[c:5])=[O:7]	1	1388
+[N:1]#[C:2]-[c:3]:1:[c:4]:[c:5](-[c:6]):[c:7](-[c:8]):[n:9]:[c:10]:1-[Cl:11]>>[C:4](=[C:5](-[c:6])-[C:7](-[c:8])=[O:17])-[N:18](-[C:19])-[C:20].[Cl:11]-[P:12](=[O:13])(-[Cl:14])-[Cl:15].[N:1]#[C:2]-[C:3]-[C:10](-[N:9])=[O:16]	1	1389
+[N:1]#[C:2]-[c:3]:1:[c:4]:[c:5](-[c:6]):[c:7](-[c:8]):[n:9]:[c:10]:1-[O:11]>>[N:1]#[C:2]-[C:3]-[C:10](-[N:9])=[O:11].[C:4](-[N:13](-[C:12])-[C:14])(-[O:16]-[C:17])-[O:18]-[C:19].[C:5](-[c:6])-[C:7](-[c:8])=[O:15]	1	1390
+[N:1]#[C:2]-[c:3]:[c:4]:[n:5]>>[N:1]-[O:6].[C:2](-[c:3]:[c:4]:[n:5])=[O:7]	1	1391
+[N:1]#[C:2]-[c:3]>>[C:2](-[c:3])(=[O:4])-[O:5].[N:1]	1	1392
+[N:1]#[C:2]-[c:3]>>[C:2](-[c:3])=[O:5].[N:1]-[O:4]	1	1393
+[N:1]#[C:2]-[c:3]>>[N:1].[C:2](-[c:3])(-[O:4])=[O:5]	1	1394
+[N:1]#[C:2]-[c:3]>>[N:1].[C:2](-[c:3])(=[O:4])-[O:5]-[C:6]	1	1395
+[N:1](-[C:2](-[C:3])-[C:4])-[C:5]>>[C:2](-[C:3])(-[C:4])=[O:13].[N:1](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	1396
+[N:1](-[C:2](-[C:3])-[c:4])=[N+:6]=[N-:5]>>[C:2](-[C:3])(-[c:4])=[O:7].[N:1](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	1	1397
+[N:1](-[C:2](=[O:3])-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8])-[C:9]>>[C:2](=[O:3])(-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:1](-[C:9])=[N+:10]=[N-:11]	2	1398,1399
+[N:1](-[C:2](=[O:3])-[c:4](:[c:5]:[o:6]):[n:7])-[c:8]>>[C:2](=[O:3])(-[c:4](:[c:5]:[o:6]):[n:7])-[O:11].[N+:1](-[c:8])(=[O:9])-[O-:10]	1	1400
+[N:1](-[C:2])(-[C:3])-[C:12](-[O:11])=[O:13]>>[N:1](-[C:2])(-[C:3])-[C:4]-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1.[O:11]-[C:12](=[O:13])-[Cl:14]	1	1401
+[N:1](-[C:2])(-[c:3])-[C:5](=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]>>[C:2]-[I:17].[O:4]=[C:5](-[C:6](-[F:7])(-[F:8])-[F:9])-[O:10]-[C:11](=[O:12])-[C:13](-[F:14])(-[F:15])-[F:16].[N:1]-[c:3]	1	1402
+[N:1](-[C:2])-[C:3]-[C:4]>>[N:1]-[C:2].[C:3](-[C:4])-[O:5]	1	1403
+[N:1](-[C:2])-[C:4](=[O:3])-[C:5](-[F:6])(-[F:7])-[F:8]>>[N:1](-[C:2])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[O:3]=[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])-[O:16]-[C:17]-[C:18]	1	1404
+[N:1](-[C:2])-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]>>[N:1](-[C:2])=[N+:10]=[N-:11].[C:3]-[C:4](-[C:5])(-[C:6])-[O:7]-[C:8](=[O:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	1405
+[N:1](-[C:2])-[c:3]>>[C:2]-[I:10].[N:1](-[c:3])-[C:5](=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]	1	1406
+[N:1](-[C:2])-[c:3]>>[C:2]-[I:4].[N:1]-[c:3]	1	1407
+[N:1](-[C:2]-[C:3])(-[C:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]>>[C:5]-[C:6](-[C:7])(-[C:8])-[O:9]-[C:10](=[O:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[N:1](-[C:2](-[C:3])=[O:12])-[C:4]	1	1408
+[N:1](-[C:2]-[C:3])-[C:4]>>[C:2](-[C:3])(-[O:5])=[O:6].[N:1]-[C:4]	1	1409
+[N:1](-[C:2]-[C:3])-[C:4]>>[C:2](-[C:3])(-[O:5]-[C:7])=[O:6].[N:1]-[C:4]	1	1410
+[N:1](-[C:2]-[C:3])-[C:4]>>[C:2](-[C:3])-[O:5].[N:1]-[C:4]	2	1411,1412
+[N:1](-[C:2]-[C:3])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]>>[C:2](-[C:3])-[O:21]-[S:22](-[C:23])(=[O:24])=[O:25].[C:4]-[C:5](-[C:6])(-[C:7])-[O:8]-[C:9](=[O:10])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N-:1]=[N+:20]=[N-:19]	1	1413
+[N:1](-[C:2]-[C:3])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]>>[C:2](-[C:3])-[O:21].[C:4]-[C:5](-[C:6])(-[C:7])-[O:8]-[C:9](=[O:10])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N-:1]=[N+:20]=[N-:19]	1	1414
+[N:1](-[C:2]-[C:3])-[c:4]>>[C:2](-[C:3])-[O:5].[N:1]-[c:4]	1	1415
+[N:1](-[C:2]-[C:3])=[N+:5]=[N-:4]>>[C:2](-[C:3])(=[O:6])-[O:7].[N-:1]=[N+:5]=[N-:4]	1	1416
+[N:1](-[C:2]-[C:3])=[N+:5]=[N-:4]>>[C:2](-[C:3])-[O:6].[N-:1]=[N+:5]=[N-:4]	1	1417
+[N:1](-[C:2]-[C:3])=[N+:5]=[N-:4]>>[N-:1]=[N+:5]=[N-:4].[C:2](-[C:3])-[O:6]	3	1418,1419,1420
+[N:1](-[C:2]-[c:3])-[C:4]>>[N:1]-[C:4].[C:2](-[c:3])(=[O:5])-[O:6]	1	1421
+[N:1](-[C:2]-[c:3])-[c:4]>>[N+:1](-[c:4])(=[O:5])-[O-:6].[C:2](-[c:3])=[O:7]	1	1422
+[N:1](-[C:2]-[c:3])=[N+:4]=[N-:5]>>[N-:1]=[N+:4]=[N-:5].[C:2]-[c:3]	1	1423
+[N:1](-[C:2]-[c:3])=[N+:5]=[N-:4]>>[C:2]-[c:3].[N-:1]=[N+:5]=[N-:4]	1	1424
+[N:1](-[c:2](:[c:3]:[n:4]):[c:6]:[n:5])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]>>[C:7]-[C:8](-[C:9])(-[C:10])-[O:11].[N:1](=[N+:15]=[N-:16])-[P:17](=[O:18])(-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1)-[c:25]:2:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:2.[c:2](:[c:3]:[n:4])(:[c:6]:[n:5])-[C:12](=[O:13])-[O:14]-[C:31]-[C:32]	1	1425
+[N:1](-[c:2])-[C:6](=[O:5])-[C:7](-[F:8])(-[F:9])-[F:10]>>[O:5]=[C:6](-[C:7](-[F:8])(-[F:9])-[F:10])-[O:11]-[C:12](=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[N+:1](-[c:2])(=[O:3])-[O-:4]	1	1426
+[N:1](-[c:2])=[N+:3]=[N-:4]>>[N+:3](=[N-:4])=[N-:7].[N+:1](-[c:2])(=[O:5])-[O-:6]	1	1427
+[N:1](-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1)-[C:11](-[O:10])=[O:12]>>[N:1](=[C:2]=[S:13])-[C:11](-[O:10])=[O:12].[n:4](:[c:5]:[c:6]):[c:8](:[c:7])-[N:9].[N:3]-[O:14]	1	1428
+[N:1](=[C:2]-[c:3](:[n:4]):[c:5])-[O:6]>>[N:1]-[O:6].[C:2](-[c:3](:[n:4]):[c:5])-[O:7]	1	1429
+[N:1]-1-[C:2](=[O:3])-[C:4](-[N:5]-[C:6])=[C:7]-[S:8]-1>>[N:1]-1-[C:2](=[O:3])-[C:4](=[C:7]-[S:8]-1)-[O:9].[N:5]-[C:6]	1	1430
+[N:1]-1-[C:2](=[O:3])-[C:4](-[N:5]-[C:6])=[C:7]-[S:8]-1>>[N:5](-[C:6])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[N:1]-1-[C:2](=[O:3])-[C:4](=[C:7]-[S:8]-1)-[Cl:9]	1	1431
+[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[c:7]:2:[c:8](-[c:9](:[c:10]):[n:11]):[n:12](-[C:13]-[c:14]):[n:15]:[c:16]-1:2>>[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[C:7]=[C:16]-1-[Cl:17].[C:13](-[c:14])=[O:19].[N:12]-[N:15].[C:8](-[c:9](:[c:10]):[n:11])=[O:18]	1	1432
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+[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[N:6]-[c:7](:[n:8]):[c:9])-[C:10]-1=[O:11]>>[N+:6](-[c:7](:[n:8]):[c:9])(=[O:13])-[O-:14].[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[C:10]-1=[O:11])-[Br:12]	1	1434
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+[N:1]-[C:2](-[C:3])-[C:4]>>[C:2](-[C:3])(-[C:4])=[O:6].[N:1]-[O:5]	1	1436
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+[N:1]-[C:2](-[c:3](:[c:4]):[c:5])=[N:6]-[O:7]>>[N:1]#[C-:2]~[Cu+:8].[N:6]-[O:7].[c:3](:[c:4])(:[c:5])-[Br:9]	1	1441
+[N:1]-[C:2](-[c:3])=[O:4]>>[C:2](-[c:3])(=[O:4])-[O:5].[N:1]	1	1442
+[N:1]-[C:2](-[c:3])=[O:4]>>[N:1].[C:2](-[c:3])(-[O:4]-[C:6])=[O:5]	1	1443
+[N:1]-[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)=[O:8]>>[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)(=[O:8])-[O:9]-[C:10]-[C:11].[N:1]	1	1444
+[N:1]-[C:2](=[C:3](-[N:4])-[C:5](=[O:6])-[N:7])-[N:8]>>[N:1]-[C:2](=[C:3]-[C:5](=[O:6])-[N:7])-[N:8].[N:4](=[O:9])-[O:10]	1	1445
+[N:1]-[C:2](=[C:3](-[N:4])-[N:5])-[C:7](-[N:6])=[O:8]>>[C:2](=[C:3](-[N:4])-[N:5])-[C:7](-[N:6])=[O:8].[N:1](=[O:9])-[O:10]	1	1446
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])=[C:7](-[c:8])-[Cl:9]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:14])-[O:22]-[C:23]-[C:24])=[C:7](-[c:8])-[O:15].[N:6]-[C:16]-1-[C:17]-[C:18]-[C:19]-[C:20]-[C:21]-1.[Cl:9]-[P:10](=[O:11])(-[Cl:12])-[Cl:13]	1	1447
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:16].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15]	1	1448
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:16].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15]	1	1449
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:9]-[C:10].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]	2	1450,1451
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[C:6](=[O:7])(-[C:8])-[O:16]	1	1452
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[C:8])-[O:9]	1	1453
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8](:[c:9]):[o:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[C:6](=[O:7])(-[c:8](:[c:9]):[o:10])-[O:18]	1	1454
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8])-[O:9]-[C:10]-[C:11]	1	1455
+[N:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[C:7](=[O:8])-[C:9]>>[C:7](=[O:8])(-[C:9])-[O:17].[N:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16]	1	1456
+[N:1]-[C:2](=[O:3])-[C:4]>>[C:2](-[O:3]-[C:6]-[C:7])(-[C:4])=[O:5].[N:1]	1	1457
+[N:1]-[C:2](=[O:3])-[C:4]>>[C:2](=[O:3])(-[C:4])-[O:5]-[C:6].[N:1]	1	1458
+[N:1]-[C:2](=[O:3])-[C:4]>>[N:1].[C:2](=[O:3])(-[C:4])-[O:5]-[C:6]	1	1459
+[N:1]-[C:2](=[O:3])-[C:4]>>[N:1].[C:2](=[O:3])(-[C:4])-[O:5]-[C:6]-[C:7]	2	1460,1461
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+[N:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[N:1]-[C:2](=[O:3])-[O:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	1463
+[N:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4](-[C:5])-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:1]-[C:2](=[O:3])-[O:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	1464
+[N:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:1]-[C:2](=[O:3])-[O:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[N+:4](-[c:5])(=[O:13])-[O-:14]	1	1465
+[N:1]-[C:2](=[O:3])-[c:4](:[c:5]):[s:6]>>[C:2](=[O:3])(-[c:4](:[c:5]):[s:6])-[O:7]-[C:8]-[C:9].[N:1]	1	1466
+[N:1]-[C:2](=[O:3])-[c:4]:[c:5]:[n:6]>>[C:2](=[O:3])(-[c:4]:[c:5]:[n:6])-[O:7]-[C:8]-[C:9].[N:1]	1	1467
+[N:1]-[C:2](=[O:3])-[c:4]>>[C:2](=[O:3])(-[c:4])-[O:5]-[C:6]-[C:7].[N:1]	1	1468
+[N:1]-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[N:7]-[C:8]>>[N:1]-[C:2](=[S:3])-[N:4].[N:7]-1(-[C:8])-[C:11](=[O:12])-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2-[C:19]-1=[O:20].[C:5](=[O:6])(-[C:9])-[O:10]	1	1469
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+[N:1]-[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8]>>[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8].[N+:1](-[O:9])(-[O-:10])=[O:11]	1	1471
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+[N:1]-[C:2]-[C:3]-[O:4]-[c:5]>>[N:1]-[C:2](-[C:3]-[Cl:7])=[O:6].[O:4]-[c:5]	1	1474
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+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])(=[O:6])-[O:7].[N-:1]=[N+:5]=[N-:4]	1	1480
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+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:11].[N:1]-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:10]:[c:9]:1	1	1484
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:14].[N:1]-1-[C:5](-[c:4]:2:[c:9](-[C:8]-1=[O:7]):[c:10]:[c:11]:[c:12]:[c:13]:2)=[O:6]	1	1485
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10].[N-:1]=[N+:5]=[N-:4]	1	1486
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:6].[N-:1]=[N+:5]=[N-:4]	1	1487
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+[N:1]-[C:2]-[C:3]>>[N-:1]=[N+:5]=[N-:4].[C:2](-[C:3])-[I:6]	1	1491
+[N:1]-[C:2]-[C:3]>>[N-:1]=[N+:5]=[N-:4].[C:2](-[C:3])-[O:6]	3	1492,1493,1494
+[N:1]-[C:2]-[C:3]>>[N-:1]=[N+:5]=[N-:4].[C:2](-[C:3])-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10]	3	1495,1496,1497
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+[N:1]-[C:2]-[c:3](:[c:4]):[n:5]>>[N-:1]=[N+:7]=[N-:6].[C:2](-[c:3](:[c:4]):[n:5])-[Br:8]	1	1499
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+[N:1]-[C:2]-[c:3](:[c:4]:[n:5]):[n:6]>>[N-:1]=[N+:8]=[N-:7].[C:2](-[c:3](:[c:4]:[n:5]):[n:6])-[O:9]	1	1501
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+[N:1]-[C:2]-[c:3]:[c:4]:[n:5]>>[C:2](-[c:3]:[c:4]:[n:5])-[Br:8].[N-:1]=[N+:7]=[N-:6]	1	1503
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+[N:1]-[C:2]-[c:3]>>[C:2](-[c:3])=[O:5].[N:1]-[O:4]	1	1507
+[N:1]-[C:2]-[c:3]>>[C:2]-[c:3].[N-:1]=[N+:5]=[N-:4]	1	1508
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+[N:1]-[C:2]-[c:3]>>[N:1](-[C:5])(-[C:6])-[C:7]=[O:8].[C:2](-[c:3])(=[O:4])-[O:9]	1	1511
+[N:1]-[C:2]-[c:3]>>[N:1]-[C:2](-[c:3])=[O:4]	1	1512
+[N:1]-[C:2]-[c:3]>>[N:1].[C:2](-[c:3])(=[O:4])-[O:5]	1	1513
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+[N:1]-[C:6](=[C:5](-[C:3](-[N:2])=[O:4])-[N:8])-[N:7]>>[N:1]-[C:6](=[C:5]-[C:3](-[N:2])=[O:4])-[N:7].[N:8](=[O:9])-[O:10]	1	1516
+[N:1]-[C:7](-[C:5](=[C:3](-[N:2])-[N:4])-[N:6])=[O:8]>>[N:1]-[C:7](-[C:5]=[C:3](-[N:2])-[N:4])=[O:8].[N:6](-[O:9])=[O:10]	1	1517
+[N:1]-[N:2]-[C:3](-[c:4])=[O:5]>>[C:3](-[c:4])(=[O:5])-[O:6].[N:1]-[N:2]	1	1518
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:7]:[n:6]>>[C:3](=[O:4])(-[c:5]:[c:7]:[n:6])-[O:8]-[C:9].[N:1]-[N:2]	1	1519
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6].[N:1]-[N:2]	1	1520
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[N:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7]	1	1521
+[N:1]-[N:2]-[c:3]>>[N+:2](-[c:3])(=[O:6])-[O-:7].[N:1](=[O:4])-[O:5]	4	1522,1523,1524,1525
+[N:1]-[N:2]-[c:3]>>[N:1](=[O:4])-[O:5].[N+:2](-[c:3])(=[O:6])-[O-:7]	2	1526,1527
+[N:1]-[S:2](=[O:3])(=[O:4])-[c:5](:[c:6]):[c:7]>>[N:1].[S:2](=[O:3])=[O:4].[c:5](:[c:6])(:[c:7])-[N:8]	1	1528
+[N:1]-[c:2](:[c:3]):[c:4]>>[N+:1](-[O:5])(-[O-:6])=[O:7].[c:2](:[c:3]):[c:4]	3	1529,1530,1531
+[N:1]-[c:2](:[c:3]):[c:4]>>[N+:1](=[O:5])(-[O-:6])-[O:7].[c:2](:[c:3]):[c:4]	4	1532,1533,1534,1535
+[N:1]-[c:2](:[c:3]):[c:4]>>[N:1]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11].[c:2](:[c:3])(:[c:4])-[Br:12]	1	1536
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[C:5](=[O:6])-[O:7].[N:1](=[N+:8]=[N-:9])-[P:10](=[O:11])(-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)-[c:18]:2:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:2	2	1537,1538
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3]):[c:4].[N+:1](-[O:5])(-[O-:6])=[O:7]	1	1539
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3]):[c:4].[N+:1](=[O:5])(-[O-:6])-[O:7]	2	1540,1541
+[N:1]-[c:2](:[c:3]):[n:6]:[c:5]:[c:4]>>[c:2](:[c:3])(:[n:6]:[c:5]:[c:4])-[F:16].[N:1]-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:15]:[c:14]:1	2	1542,1543
+[N:1]-[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[c:2](:[n:3]:[c:4]:[c:5])(:[c:6])-[Cl:16].[N:1]-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:15]:[c:14]:1	1	1544
+[N:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[C:4](-[C:5])(=[O:8])-[O:9]-[C:10].[N:1]#[C:2]-[C:3].[N:6]-[O:7]	1	1545
+[N:1]-[c:2]:1:[c:3]:[c:4](:[n:5]):[n:6]:[c:7]:[c:8]:1>>[c:2]:1(:[c:3]:[c:4](:[n:5]):[n:6]:[c:7]:[c:8]:1)-[Br:16].[N:1]-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]	1	1546
+[N:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[s:6]:1>>[N+:1](-[O:7])(-[O-:8])=[O:9].[c:2]:1:[c:3]:[c:4]:[c:5]:[s:6]:1	1	1547
+[N:1]-[c:2]:1:[n+:3](:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10])-[O-:11]>>[O:11]-[O:12]-[C:13](-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18](-[Cl:19]):[c:20]:1)=[O:21].[N:1].[c:2]:1:[n:3]:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]	1	1548
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5](:[n:6]):[c:7]):[c:8]:[s:9]:1>>[C:4](-[c:5](:[n:6]):[c:7])(-[C:8]-[Br:18])=[O:19].[N:1]-[C:2](-[N:3]-[C:10](=[O:11])-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)=[S:9]	1	1549
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[C:4](-[c:5])(-[C:6]-[Br:16])=[O:17].[N:1]-[C:2](-[N:3]-[C:8](=[O:9])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)=[S:7]	1	1550
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[s:8]:1):[c:7]>>[N:1]#[C:2]-[S:8].[N+:3](-[c:4](:[c:5]:[c:6]):[c:7])(=[O:9])-[O-:10]	1	1551
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[s:6]:1):[c:7]):[c:8]>>[N+:3](-[c:4](:[c:5]:[c:7]):[c:8])(=[O:9])-[O-:10].[N:1]#[C:2]-[S:6]	1	1552
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]>>[N:1].[c:2]:1:[n+:3](:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10])-[O-:11]	1	1553
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]>>[N:1].[c:2]:1:[n:3]:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]	1	1554
+[N:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[s:6]:1):[c:7]:[n:8]:[c:9]:[c:10]:2>>[N:1](-[C:2](-[N:3]-[c:4]:1:[c:5]:[c:7]:[n:8]:[c:9]:[c:10]:1)=[S:6])-[C:11](=[O:12])-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2	1	1555
+[N:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6](-[c:7]):[n:8]:1>>[N:1]-[C:2](-[N:3])=[N:8].[C:4](-[N:10](-[C:9])-[C:11])(-[O:13]-[C:14])-[O:15]-[C:16].[C:5]-[C:6](-[c:7])=[O:12]	1	1556
+[N:1]-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1>>[N:1](-[C:2](-[N:9]-[c:8](:[n:4]:[c:5]:[c:6]):[c:7])=[S:15])-[C:13](-[O:12]-[C:11]-[C:10])=[O:14].[N:3]-[O:16]	1	1557
+[N:1]-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1>>[N:1](=[C:2]=[S:15])-[C:13](-[O:12]-[C:11]-[C:10])=[O:14].[n:4](:[c:5]:[c:6]):[c:8](:[c:7])-[N:9].[N:3]-[O:16]	1	1558
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[n:6]:[c:7]:[c:8]:[c:9]:[c:10]:1:2>>[N:3]-[N:4].[N:1]#[C:2]-[c:10]:1:[c:5](:[n:6]:[c:7]:[c:8]:[c:9]:1)-[O:11]	1	1559
+[N:1]=[C:2](-[C:3](-[C:4])=[O:7])-[C:5]=[O:6]>>[C:4]-[Mg+:8].[N:1]=[C:2](-[C:3](=[O:7])-[O:9]-[C:10])-[C:5]=[O:6]	1	1560
+[N:1]=[C:2](-[C:3](-[C:4])=[O:7])-[C:5]=[O:6]>>[C:4]-[Mg+:9].[N:1]=[C:2](-[C:3](=[O:7])-[O:8])-[C:5]=[O:6]	1	1561
+[N:1]=[C:2](-[C:3](=[O:4])-[N:5](-[C:6])-[O:7])-[C:8]=[O:9]>>[N:1]=[C:2](-[C:3](=[O:4])-[O:10]-[C:11])-[C:8]=[O:9].[N:5](-[C:6])-[O:7]	1	1562
+[N:1]=[C:2](-[C:3](=[O:6])-[N:8](-[O:7])-[C:9])-[C:4]=[O:5]>>[O:7]-[N:8]-[C:9].[N:1]=[C:2](-[C:3](=[O:6])-[O:10]-[C:11])-[C:4]=[O:5]	1	1563
+[N:1]=[C:2](-[C:3])-[N:4]-[O:5]>>[N:1]-[C:2](-[C:3])=[O:6].[N:4]-[O:5]	1	1564
+[N:1]=[C:2](-[S:3]-[C:4])-[N:5](-[C:6])-[C:7]>>[N:1]=[C:2]=[S:3].[C:4]-[I:8].[N:5](-[C:6])-[C:7]	1	1565
+[N:1]=[C:2](-[S:3]-[C:4])-[N:5](-[C:6])-[C:7]>>[N:1]=[C:2]=[S:3].[N:5](-[C:6])(-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14].[C:4]-[I:15]	1	1566
+[N:1]=[C:2](-[c:3](:[c:4]:[n:5]):[n:6])-[N:7]-[O:8]>>[N:7]-[O:8].[N:1]-[C:2](-[c:3](:[c:4]:[n:5]):[n:6])=[O:9]	1	1567
+[N:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8])-[C:9]=[O:10]>>[C:4]-[Mg+:11].[C:5](-[O:12]-[C:13])(-[O:14]-[C:15])-[N:16](-[C:17])-[C:19].[N:1]=[C:2](-[C:3](=[O:18])-[O:20]-[C:21])-[C:9]=[O:10].[N:6]-[N:7]-[c:8]	1	1568
+[N:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8])-[C:9]=[O:10]>>[C:4]-[Mg+:11].[C:5](-[O:12]-[C:13])(-[O:14]-[C:15])-[N:16](-[C:17])-[C:20].[N:1]=[C:2](-[C:3](=[O:18])-[O:19])-[C:9]=[O:10].[N:6]-[N:7]-[c:8]	1	1569
+[N:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8])-[C:9]=[O:10]>>[C:4]-[Mg+:19].[C:5](-[O:11]-[C:12])(-[O:13]-[C:14])-[N:15](-[C:16])-[C:17].[N:1]=[C:2](-[C:3](=[O:18])-[N:20](-[O:21]-[C:22])-[C:23])-[C:9]=[O:10].[N:6]-[N:7]-[c:8]	1	1570
+[N:1]=[C:2]-1-[N:3]-[C:4]-[C:5]-[O:6]-1>>[N:3]-1(-[C:4]-[C:5]-[O:6]-[C:8]-1(-[C:9])-[C:10])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[N:1]#[C:2]-[Br:7]	1	1571
+[N:1]=[C:2]-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[N:9]>>[N:1]=[C:2]-[C:3](=[O:4])-[O:10]-[C:11]-[C:12].[N:5]-[C:6]-[C:7](=[O:8])-[N:9]	1	1572
+[O:1](-[C:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[Si:9](-[C:8])(-[C:10])-[C:11]>>[O:1]=[C:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[O:12]-[C:13]-[C:14].[C:8]-[Si:9](-[C:10])(-[C:11])-[Cl:15]	1	1573
+[O:1]-[B:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[O:1]-1-[B:2](-[O:3]-[C:10](-[C:8]-1(-[C:7])-[C:9])(-[C:11])-[C:12])-[B:13]-2-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18](-[O:19]-2)(-[C:20])-[C:21].[c:4](:[c:5])(:[c:6])-[Br:22]	1	1574
+[O:1]-[B:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[O:1]-[B:2](-[O:3]-[C:7])-[O:8]-[C:9].[c:4](:[c:5])(:[c:6])-[Br:10]	1	1575
+[O:1]-[B:2](-[c:3](:[c:4]):[c:5])-[O:6]>>[O:1]-[B:2](-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15].[c:3](:[c:4]):[c:5]	1	1576
+[O:1]-[C:2](-[C:3](=[O:4])-[O:5]-[C:6])-[C:7](-[O:8])-[c:9]>>[O:5]-[C:6].[C:7](=[O:8])-[c:9].[O:1]-[C:2]-[C:3](=[O:4])-[N:22]-1-[C:11](=[O:10])-[O:12]-[C:13]-[C:14]-1-[C:15]-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	1	1577
+[O:1]-[C:2](-[C:3])-[C:4]>>[O:1]-1-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[C:7]-1	2	1578,1579
+[O:1]-[C:2](-[C:3]-[N:4](-[C:5])-[C:6])-[C:7]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2](-[C:3]-[Br:8])-[C:7]	1	1580
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:7])-[C:8](=[O:9])-[c:10]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:7].[C:8](=[O:9])(-[c:10])-[O:11]	1	1581
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])(-[C:6])-[O:7]-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5])(-[C:6])-[Br:9].[O:7](-[c:8])-[C:10]	1	1582
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5]-[c:6])-[C:7]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:7])-[Br:8].[O:5](-[c:6])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1583
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])-[C:7]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:13].[C:5](-[C:6])(-[C:7])=[O:14]	1	1584
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])(-[O:15])=[O:16]	1	1585
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])-[O:15]	1	1586
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])=[O:15]	1	1587
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]>>[C:4](-[C:5])-[Br:7].[C:2]#[N:6].[O:1].[O:3]	1	1588
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:9]-[C:10].[O:1]-[C:2](=[O:3])-[C:4]-[N:5]	1	1589
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:9].[O:1]-[C:2](=[O:3])-[C:4]-[N:5]	1	1590
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[C:8])-[O:9]-[C:10]-[C:11]	1	1591
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[C:6](=[O:7])(-[c:8])-[O:9]-[C:10].[O:1]-[C:2](=[O:3])-[C:4]-[N:5]	1	1592
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8])-[O:9]-[C:10]	1	1593
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:7].[N+:5](-[c:6])(=[O:8])-[O-:9]	1	1594
+[O:1]-[C:2](=[O:3])-[C:4]-[O:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:7].[O:5](-[c:6])-[C:8]	1	1595
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])(-[O:15])=[O:16]	1	1596
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])-[O:15]	1	1597
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:17](-[O:18]-[C:19](-[C:20])(-[C:21])-[C:22])=[O:23].[O:1]-[C:2](=[O:3])-[O:7]-[c:8]:1:[c:9]:[c:10]:[c:11](-[N+:12](=[O:13])-[O-:14]):[c:15]:[c:16]:1	1	1598
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[O:1]-[C:2](=[O:3])-[Cl:7]	1	1599
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[O:1]-[C:2](=[O:3])-[Cl:7].[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	3	1600,1601,1602
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[O:1]-[C:2](=[O:3])-[Cl:7].[N:4](-[C:5])(-[C:6])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	1603
+[O:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]>>[N:4]#[C:5]-[C:6].[O:1]-[C:2](=[O:3])-[Cl:7]	1	1604
+[O:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N:4](-[C:5])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	2	1605,1606
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[c:7]>>[O:1]-[C:2](=[O:3])-[Cl:8].[N+:4](=[O:9])(-[O-:10])-[O:11].[c:5](:[c:6]):[c:7]	1	1607
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:7])-[O-:8].[O:1]-[C:2](=[O:3])-[Cl:6]	1	1608
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	5	1609,1610,1611,1612,1613
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:7]:[c:8](:[c:9]):[n:12]:1:[c:11]:[c:10]>>[N+:7](-[c:8](:[c:9]):[n:12]:[c:11]:[c:10])(=[O:15])-[O-:16].[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[C:6])=[O:13])-[Cl:14]	1	1614
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:1>>[O:1]-[C:2](=[O:3])-[C:4](=[O:11])-[O:14]-[C:15]-[C:16].[C:5]-[c:6](:[c:7]):[c:9](:[c:8])-[N+:10](=[O:12])-[O-:13]	1	1615
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[n:6](-[C:7]):[c:8](-[c:9]):[c:10]:1>>[N:5]-[N:6]-[C:7].[O:1]-[C:2](=[O:3])-[C:4](=[O:11])-[O:13]-[C:14]-[C:15].[C:8](-[c:9])(-[C:10])=[O:12]	1	1616
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[o:6]:[c:7](-[C:8]):[c:9]:1>>[C:7](-[C:8])(-[C:9])=[O:11].[O:1]-[C:2](=[O:3])-[C:4](=[O:10])-[O:12]-[C:13]-[C:14].[N:5]-[O:6]	1	1617
+[O:1]-[C:2]-1=[C:3](-[c:4])-[C:5](=[O:6])-[N:7]-[C:8]-1>>[O:1]=[C:2](-[C:8]-[N:7])-[O:10]-[C:9].[C:3](-[c:4])-[C:5](=[O:6])-[Cl:11]	1	1618
+[O:1]-[C:2]-[C:3](-[F:4])(-[F:5])-[c:6](:[n:7]:[c:8]:[c:9]):[c:10]>>[O:1]=[C:2](-[C:3](-[F:4])(-[F:5])-[Br:14])-[O:13]-[C:12]-[C:11].[c:6](:[n:7]:[c:8]:[c:9])(:[c:10])-[Br:15]	1	1619
+[O:1]-[C:2]-[C:3]-[C:4]-[C:5]>>[O:1]=[C:2](-[C:3]=[C:4]-[C:5])-[O:8]-[C:7]-[C:6]	1	1620
+[O:1]-[C:2]-[C:3]-[O:4]-[C:5]>>[O:1]-[C:2](-[C:3]-[Cl:7])=[O:6].[O:4]-[C:5]	1	1621
+[O:1]-[C:2]-[C:3]>>[O:1](-[C:2](-[C:3])=[O:5])-[C:4]	2	1622,1623
+[O:1]-[C:2]-[C:3]>>[O:1]-[C:2](-[C:3])-[C:4]-[O:5]	1	1624
+[O:1]-[C:2]-[C:3]>>[O:1]-[C:4]-[C:5].[C:2](-[C:3])#[N:6]	1	1625
+[O:1]-[C:2]-[C:3]>>[O:1]=[C:2](-[C:3])-[O:4]	1	1626
+[O:1]-[C:2]-[C:3]>>[O:1]=[C:2](-[C:3])-[O:4]-[C:5]-[C:6]	1	1627
+[O:1]-[C:2]-[O:3]-[C:4]-[c:5]>>[O:1]-[C:2]-[Cl:6].[O:3]=[C:4]-[c:5]	1	1628
+[O:1]-[C:2]-[O:3]-[c:4]>>[O:1]-[C:2]-[Cl:5].[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	1629
+[O:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[O:1]=[C:2](-[c:3](:[n:4]):[c:5])-[O:6]	1	1630
+[O:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[O:1]=[Se:6]=[O:7].[C:2]-[c:3](:[n:4]):[c:5]	1	1631
+[O:1]-[C:2]-[c:3]:1:[n:4]:[c:5](-[c:6]):[n:7]:[s:8]:1>>[O:1]=[C:2](-[C:3]#[N:4])-[O:11]-[C:10]-[C:9].[C:5]-1(-[c:6])=[N:7]-[S:8]-[C:12](=[O:13])-[O:14]-1	1	1632
+[O:1]-[C:2]-[c:3]:1:[n:4]:[c:5](-[c:6]):[n:7]:[s:8]:1>>[S:8](-[C:13](=[O:12])-[Cl:15])-[Cl:16].[O:1]=[C:2](-[C:3]#[N:4])-[O:11]-[C:10]-[C:9].[C:5](-[c:6])(-[N:7])=[O:14]	1	1633
+[O:1]-[C:2]-[c:3]:1:[n:4]:[o:5]:[c:6](-[c:7]):[c:8]:1>>[O:1]=[C:2](-[C:3](-[C:8]-[C:6](-[c:7])=[O:12])=[O:13])-[O:11]-[C:10]-[C:9].[N:4]-[O:5]	1	1634
+[O:1]-[C:2]-[c:3]:1:[n:4]:[o:5]:[c:6](-[c:7]):[c:8]:1>>[O:1]=[C:2](-[C:3](=[O:12])-[O:14]-[C:15]-[C:16])-[O:11]-[C:10]-[C:9].[C:6](-[c:7])(-[C:8])=[O:13].[N:4]-[O:5]	1	1635
+[O:1]-[C:2]-[c:3]>>[O:1](-[C:2](-[c:3])=[O:4])-[C:5]-[C:6]	1	1636
+[O:1]-[C:2]-[c:3]>>[O:1](-[C:2](-[c:3])=[O:5])-[C:4]	3	1637,1638,1639
+[O:1]-[C:2]-[c:3]>>[O:1].[C:2]-[c:3]	1	1640
+[O:1]-[C:2]-[c:3]>>[O:1]=[C:2](-[c:3])-[O:4]	1	1641
+[O:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[O:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6])-[O:7]-[C:8]-[C:9]	1	1642
+[O:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[n:7]):[c:8]>>[C:4](=[O:5])(-[c:6](:[n:7]):[c:8])-[O:9]-[C:10]-[C:11].[O:1]-[N:2]-[C:3]	1	1643
+[O:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[O:1]-[N:2].[C:3](-[C:4])(-[C:5])=[O:6]	1	1644
+[O:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[O:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8]	1	1645
+[O:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[O:1]-[N:2].[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9]	1	1646
+[O:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[O:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7]	1	1647
+[O:1]-[N:2]-[C:3]-[C:4]>>[O:1]-[N:2].[C:3](-[C:4])=[O:5]	1	1648
+[O:1]-[N:2]=[C:3](-[C:4])-[c:7](:[c:5]):[c:6]>>[C:3](-[C:4])(=[O:8])-[O:9].[c:5]:[c:7]:[c:6].[O:1]-[N:2]	1	1649
+[O:1]-[N:2]=[C:3](-[c:4])-[Cl:6]>>[C:3](-[c:4])=[O:5].[Cl:6]-[N:7]-1-[C:8](=[O:9])-[C:10]-[C:11]-[C:12]-1=[O:13].[O:1]-[N:2]	1	1650
+[O:1]-[N:2]=[C:3]-[C:4]>>[O:1]-[N:2].[C:3](-[C:4])(=[O:5])-[N:6](-[O:7]-[C:8])-[C:9]	1	1651
+[O:1]-[N:2]=[C:3]-[C:4]>>[O:1]-[N:2].[C:3](-[C:4])-[O:5]	2	1652,1653
+[O:1]-[N:2]=[C:3]-[c:4]>>[O:1]-[N:2].[C:3](-[c:4])-[O:5]	1	1654
+[O:1]-[c:2](:[c:3]):[c:4]>>[O:1]-[C:5].[c:2](:[c:3])(:[c:4])-[F:6]	1	1655
+[O:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[N+:5](=[O:6])-[O-:7].[O:1]	1	1656
+[O:1]-[c:2](:[c:3]):[n:6]:[c:5]:[c:4]>>[O:1]=[C:8](-[O:9]-[C:10](-[C:11])=[O:12])-[C:13].[c:2](:[c:3]):[n+:6](:[c:5]:[c:4])-[O-:7]	1	1657
+[O:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[c:10]:1-[c:11]>>[O:1]=[C:2](-[C:10]-[c:11])-[Cl:14].[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[O:13]-[C:12]	1	1658
+[O:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[c:10]:1-[c:11]>>[O:1]=[C:2](-[C:10]-[c:11])-[O:14].[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[O:13]-[C:12]	1	1659
+[O:1]-[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6]:2:[c:7]:1:[n:8]:[c:9]:[c:10]:[c:11]:2>>[C:4](-[O:14]-[C:15]-[C:16])(-[O:17]-[C:18]-[C:19])-[O:20]-[C:21]-[C:22].[O:1]=[C:2](-[N:3])-[c:7]:1:[c:6](-[N+:5](=[O:12])-[O-:13]):[c:11]:[c:10]:[c:9]:[n:8]:1	1	1660
+[O:1]=[C:2](-[C:3](-[c:4](:[c:5]):[c:6])-[c:7])-[N:8]>>[c:4](:[c:5]):[c:6].[O:1]=[C:2](-[C:3](-[c:7])=[O:9])-[N:8]	1	1661
+[O:1]=[C:2](-[C:3])-[C:4]>>[O:1](-[C:2](-[C:3])-[C:4])-[Si:5](-[C:6](-[C:7])(-[C:8])-[C:9])(-[C:10])-[C:11]	1	1662
+[O:1]=[C:2](-[C:3])-[Cl:4]>>[Cl:4]-[S:5](-[Cl:9])=[O:10].[O:1]=[C:2](-[C:3])-[O:6]-[C:7]-[C:8]	1	1663
+[O:1]=[C:2](-[C:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[O:1]=[C:2](-[C:3])-[O:8]-[C:9]	1	1664
+[O:1]=[C:2](-[C:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[O:1]=[C:2](-[C:3])-[O:8]-[C:9]-[C:10]	1	1665
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[O:1]=[C:2](-[C:3])-[Cl:7]	1	1666
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2](-[C:3])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]	1	1667
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2](-[C:3])-[O:7]-[C:8]-[C:9]	1	1668
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[O:1]=[C:2](-[C:3])-[Cl:7].[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	1669
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[O:1]=[C:2](-[C:3])-[O:7]-[C:8].[N:4](-[C:5])-[C:6]	1	1670
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[O:1]=[C:2](-[C:3])-[O:7].[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	1671
+[O:1]=[C:2](-[C:3])-[N:4]-[C:5]>>[N:4]-1(-[C:5])-[C:7](=[O:8])-[c:9]:2:[c:10](-[C:11]-1=[O:12]):[c:13]:[c:14]:[c:15]:[c:16]:2.[O:1]=[C:2](-[C:3])-[O:6]	1	1672
+[O:1]=[C:2](-[C:3])-[N:4]-[C:5]>>[O:1]=[C:2](-[C:3])-[Cl:6].[N:4](-[C:5])=[N+:7]=[N-:8]	1	1673
+[O:1]=[C:2](-[C:3])-[N:4]-[C:5]>>[O:1]=[C:2](-[C:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[C:5]	1	1674
+[O:1]=[C:2](-[C:3])-[N:4]-[O:5]>>[N:4]-[O:5].[O:1]=[C:2](-[C:3])-[O:6]-[C:7]-[C:8]	1	1675
+[O:1]=[C:2](-[C:3])-[N:4]-[O:5]>>[O:1]=[C:2](-[C:3])-[O:6].[N:4]-[O:5]	1	1676
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5](:[c:6]):[c:7]>>[O:1]=[C:2](-[C:3])-[O:8].[c:5](:[c:6]):[c:7].[N+:4](-[O:9])(-[O-:10])=[O:11]	1	1677
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5](:[n:6]):[n:7]>>[O:1]=[C:2](-[C:3])-[O:8]-[C:9]-[C:10].[N:4]-[c:5](:[n:6]):[n:7]	1	1678
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[O:1]=[C:2](-[C:3])-[Cl:8].[N:4](-[c:5](:[n:6]):[s:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15]	1	1679
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:7])-[O-:8].[O:1]=[C:2](-[C:3])-[Cl:6]	1	1680
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+[O:1]=[C:2](-[C:3])-[N:4]-[c:5]>>[O:1]=[C:2](-[C:3])-[Cl:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	1	1684
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5]>>[O:1]=[C:2](-[C:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[c:5]	1	1685
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5]>>[O:1]=[C:2](-[C:3])-[O:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	1	1686
+[O:1]=[C:2](-[C:3])-[O:5]-[C:4]>>[C:4]-[O:5].[O:1]=[C:2](-[C:3])-[O:6]-[C:7]-[C:8]	1	1687
+[O:1]=[C:2](-[C:3]-[Br:4])-[C:5]>>[Br:4]-[Br:13].[C:2](-[C:5])#[N:6].[O:1](-[C:7]-[C:8])-[C:9]-[C:10].[C:3]-[Mg:11]-[I:12]	1	1688
+[O:1]=[C:2](-[C:3]-[C:4](-[O:5])(-[C:6])-[C:7])-[O:8]>>[O:1]=[C:2](-[C:3])-[O:8].[C:4](-[O:5])(-[C:6])-[C:7]	1	1689
+[O:1]=[C:2](-[C:3]-[C:4]-[N:5](-[C:6])-[C:7])-[N:8](-[C:9])-[C:10]>>[O:1]=[C:2](-[C:3]=[C:4])-[Cl:11].[N:5](-[C:6])-[C:7].[N:8](-[C:9])-[C:10]	1	1690
+[O:1]=[C:2](-[C:3]-[C:4]-[c:5]:1:[c:6]:[o:7]:[n:8]:[c:9]:1)-[O:10]>>[O:1]=[C:2](-[C:3]-[C:11](-[O:12]-[C:13]-[C:14])=[O:15])-[O:10].[C:4](-[c:5]:1:[c:6]:[o:7]:[n:8]:[c:9]:1)-[O:16]	1	1691
+[O:1]=[C:2](-[C:3]-[N:4](-[C:5])-[C:6])-[N:7]-[C:8]>>[O:1]=[C:2](-[C:3]-[Cl:9])-[Cl:10].[N:4](-[C:5])-[C:6].[N:7]-[C:8]	1	1692
+[O:1]=[C:2](-[C:3]-[N:4]-[c:5])-[N:6]-[c:7]>>[O:1]=[C:2](-[C:3]-[Br:8])-[Br:9].[N:6]-[c:7].[N:4]-[c:5]	1	1693
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+[O:1]=[C:2](-[C:3]=[C:4])-[Cl:5]>>[Cl:5]-[C:8]-[Cl:9].[O:1]=[C:2](-[C:3]=[C:4])-[O:6]-[C:7]	1	1695
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+[O:1]=[S:2](=[O:3])(-[N:4]-[c:5])-[c:6]>>[O:1]=[S:2](=[O:3])(-[c:6])-[Cl:7].[N+:4](-[c:5])(=[O:8])-[O-:9]	1	1801
+[O:1]=[S:2](=[O:3])(-[N:4]-[c:5]:[c:7]:[n:6])-[c:8]>>[N+:4](-[c:5]:[c:7]:[n:6])(=[O:10])-[O-:11].[O:1]=[S:2](=[O:3])(-[c:8])-[Cl:9]	1	1802
+[O:1]=[S:2](=[O:3])(-[O:4]-[c:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[O:4](-[c:5])-[C:18].[O:1]=[S:2](=[O:3])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:10]-[S:11](=[O:12])(=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17]	1	1803
+[O:1]=[S:2](=[O:3])(-[c:4](:[c:5]):[c:6])-[N:7](-[C:8])-[C:9]>>[N:7](-[C:8])-[C:9].[O:1]=[S:2](=[O:3])(-[Cl:10])-[O:11].[c:4](:[c:5]):[c:6]	1	1804
+[O:1]=[S:2](=[O:3])(-[c:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[O:1]=[S:2](=[O:3])(-[c:4])-[Cl:8]	1	1805
+[O:1]=[S:2](=[O:3])(-[c:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[O:1]=[S:2](=[O:3])(-[c:4])-[Cl:8]	1	1806
+[S:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6]-[C:7].[S:1]-[N:2]	2	1807,1808
+[c:1](-[C:2]#[N:3]):[c:4]:[n:5]>>[N:3]-[O:6].[c:1](-[C:2]=[O:7]):[c:4]:[n:5]	1	1809
+[c:1](-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]):[c:7]:[n:8]>>[N:4](-[C:5])-[C:6].[c:1](-[C:2](=[O:3])-[O:9]-[C:10]):[c:7]:[n:8]	2	1810,1811
+[c:1](-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]):[c:7]:[n:8]>>[N:4](-[C:5])-[C:6].[c:1](-[C:2](=[O:3])-[O:9]-[C:10]-[C:11]):[c:7]:[n:8]	1	1812
+[c:1](-[C:2](=[O:3])-[N:4]-[C:5]):[c:6]:[n:7]>>[c:1](-[C:2](=[O:3])-[O:8]-[C:9]-[C:10]):[c:6]:[n:7].[N:4]-[C:5]	1	1813
+[c:1](-[C:2](=[O:3])-[N:4]-[c:5]):[c:6]:[n:7]>>[c:1](-[C:2](=[O:3])-[O:8]-[C:9]-[C:10]):[c:6]:[n:7].[N:4]-[c:5]	1	1814
+[c:1](-[C:2]-[C:3]#[N:4]):[c:5]:[n:6]>>[c:1](-[C:2]):[c:5]:[n:6].[C:3]#[N:4]	1	1815
+[c:1](-[C:2]-[Cl:3]):[c:4]:[n:5]>>[Cl:3]-[S:6](=[O:7])-[Cl:8].[c:1](-[C:2](=[O:9])-[O:10]-[C:11]-[C:12]):[c:4]:[n:5]	1	1816
+[c:1](-[C:2]-[Cl:5]):[c:3]:[n:4]>>[Cl:5]-[S:6](=[O:7])-[Cl:8].[c:1](-[C:2]=[O:9]):[c:3]:[n:4]	1	1817
+[c:1](-[C:2]-[N:3](-[C:4])-[C:5]):[c:6]:[n:7]>>[N:3](-[C:4])-[C:5].[c:1](-[C:2]):[c:6]:[n:7]	1	1818
+[c:1](-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]):[c:7]:[n:8]>>[c:1](-[C:2]#[N:3]):[c:7]:[n:8].[C:4](=[O:5])(-[c:6])-[O:9]	1	1819
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+[c:1](-[C:2]-[O:5]):[c:3]:[n:4]>>[c:1](-[C:2](-[O:5]-[C:7])=[O:6]):[c:3]:[n:4]	1	1822
+[c:1](-[C:2]=[O:3]):[c:4]:[n:5]>>[c:1](-[C:2](=[O:3])-[O:6]-[C:7]):[c:4]:[n:5]	1	1823
+[c:1](-[N:2]-1-[C:3]-[C:4]-[N:5]-[C:6]-1=[O:7]):[c:8]:[n:9]>>[C:3](-[C:4]-[N:5]=[C:6]=[O:7])-[Cl:10].[c:1](-[N:2]):[c:8]:[n:9]	1	1824
+[c:1](-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:8]:[n:7]):[c:9]:[n:10]>>[c:1](-[N+:2](=[O:11])-[O-:12]):[c:9]:[n:10].[C:3](=[O:4])(-[c:5](:[n:6]):[c:8]:[n:7])-[O:13]	1	1825
+[c:1](-[N:2]-[C:3](=[O:4])-[c:5]):[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5])-[Cl:10].[c:1](-[N+:2](=[O:8])-[O-:9]):[c:6]:[n:7]	1	1826
+[c:1](-[N:2]-[C:3]-[c:4]):[c:5]:[n:6]>>[C:3](-[c:4])=[O:9].[c:1](-[N+:2](=[O:7])-[O-:8]):[c:5]:[n:6]	1	1827
+[c:1](-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7]):[c:10]:[n:11]>>[c:1](-[N+:2](=[O:12])-[O-:13]):[c:10]:[n:11].[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7])-[Cl:14]	1	1828
+[c:1](-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]):[c:8]:[n:9]>>[N:5](-[C:6])(-[C:7])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[c:1](-[S:2](=[O:3])(=[O:4])-[Cl:10]):[c:8]:[n:9]	1	1829
+[c:1](:[c:2](-[C:3](-[N:4])=[O:5]):[s:6]):[n:7]>>[N:4].[c:1](:[c:2](-[C:3](=[O:5])-[O:8]-[C:9]-[C:10]):[s:6]):[n:7]	1	1830
+[c:1](:[c:2](-[C:3](=[O:4])-[Cl:5]):[n:6]):[o:7]>>[Cl:5]-[C:8](-[C:9](=[O:10])-[Cl:11])=[O:12].[c:1](:[c:2](-[C:3](=[O:4])-[O:13]-[C:14]):[n:6]):[o:7]	1	1831
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]):[n:8]>>[N:5]-[C:6].[c:1](:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[n:7]):[n:8]	1	1832
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[s:7]):[n:8]>>[c:1](:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[s:7]):[n:8].[N:5]-[C:6]	1	1833
+[c:1](:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]):[n:8]>>[N:4](-[C:5])-[C:6].[c:1](:[c:2](-[C:3](=[O:9])-[O:10]-[C:11]-[C:12]):[n:7]):[n:8]	1	1834
+[c:1](:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]):[n:8]>>[N:4](-[C:5])-[C:6].[c:1](:[c:2](-[C:3]-[O:9]):[n:7]):[n:8]	1	1835
+[c:1](:[c:2](-[C:3]=[O:6]):[n:4]):[n:5]>>[c:1](:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[n:4]):[n:5]	1	1836
+[c:1](:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[c:7]:[n:8]):[n:9]>>[C:4](=[O:5])(-[C:6])-[Cl:12].[c:1](:[c:2](-[N+:3](=[O:10])-[O-:11]):[c:7]:[n:8]):[n:9]	1	1837
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4](-[B:5](-[O:6])-[O:10]-[C:11](-[C:12])-[C:13])-[C:7](-[C:8])-[C:9].[c:1](:[c:2])(:[c:3])-[Br:14]	1	1838
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-[B:5](-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15].[c:1](:[c:2])(:[c:3])-[N+:16](=[O:17])-[O-:18]	1	1839
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-[B:5](-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15].[c:1](:[c:2])(:[c:3])-[N:16]	1	1840
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-[B:5](-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15].[c:1](:[c:2]):[c:3]	1	1841
+[c:1](:[c:2])(:[c:3])-[Br:4]>>[Br:4].[c:1](:[c:2])(:[c:3])-[N+:5](=[O:6])-[O-:7]	1	1842
+[c:1](:[c:2])(:[c:3])-[I:4]>>[I:4].[c:1](:[c:2])(:[c:3])-[N+:5](=[O:6])-[O-:7]	1	1843
+[c:1](:[c:2]):[n:7]:[c:4](:[c:3])-[N:5]-[c:6]>>[c:1](:[c:2]):[n:7]:[c:4](:[c:3])-[O:8].[N:5]-[c:6]	1	1844
+[c:1](:[c:2]-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]>>[N:5]-[C:6].[c:1](:[c:2]-[C:3](=[O:4])-[O:8]-[C:9]):[n:7]	1	1845
+[c:1](:[c:2]-[C:3]-[N:4]-[C:5](=[O:6])-[c:7]):[n:8]>>[C:5](=[O:6])(-[c:7])-[O:9].[c:1](:[c:2]-[C:3]#[N:4]):[n:8]	1	1846
+[c:1](:[c:2]:[c:4](-[O:5]-[C:6]):[c:7]):[o:3]>>[O:5]-[C:6].[c:1](:[c:2]:[c:4](:[c:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1):[o:3]	1	1847
+[c:1](:[c:2]:[o:7]):[c:4](:[c:3])-[O:5]-[C:6]>>[O:5]-[C:6].[c:1](:[c:2]:[o:7]):[c:4](:[c:3])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1848
+[c:1](:[n+:2](:[c:3]:[c:4])-[O-:7])(:[c:5])-[Cl:6]>>[Cl:6]-[P:9](=[O:10])(-[Cl:11])-[Cl:12].[c:1](:[n:2]:[c:3]:[c:4]):[c:5].[O:7]-[O:8]	1	1849
+[c:1](:[n:2]):[c:3]-[C:4](=[O:5])-[N:6]-[C:7]>>[N:6](-[C:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[c:1](:[n:2]):[c:3]-[C:4](=[O:5])-[O:8]	1	1850
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+[c:1](:[n:2]):[c:3]-[C:4]-[C:5]#[N:6]>>[C:5]#[N:6].[c:1](:[n:2]):[c:3]-[C:4]-[O:7]	1	1852
+[c:1](:[n:2]):[c:3]-[C:4]-[Cl:5]>>[Cl:5]-[S:6](=[O:7])-[Cl:8].[c:1](:[n:2]):[c:3]-[C:4](-[O:9])=[O:10]	1	1853
+[c:1](:[n:2]):[c:3]-[C:4]-[Cl:5]>>[c:1](:[n:2]):[c:3]-[C:4](-[O:9]-[C:11])=[O:10].[Cl:5]-[S:6](=[O:7])-[Cl:8]	1	1854
+[c:1](:[n:2]):[c:3]-[C:4]-[Cl:5]>>[c:1](:[n:2]):[c:3]-[C:4](=[O:7])-[O:8]-[C:9]-[C:10].[Cl:5]-[S:6](-[Cl:11])=[O:12]	1	1855
+[c:1](:[n:2]):[c:3]-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:9].[c:1](:[n:2]):[c:3]-[C:4]#[N:5]	1	1856
+[c:1](:[n:2]):[c:3]-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[c:1](:[n:2]):[c:3]-[C:4]#[N:5].[C:6](=[O:7])(-[C:8])-[O:9]	1	1857
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+[c:1](:[n:2]):[c:3]-[C:4]=[O:5]>>[c:1](:[n:2]):[c:3]-[C:4](=[O:5])-[O:6]-[C:7]-[C:8]	1	1859
+[c:1](:[n:2]):[c:4](:[c:3])-[C:5](=[O:6])-[c:7]>>[C:5](=[O:6])-[c:7].[c:1](:[n:2]):[c:4]:[c:3]	1	1860
+[c:1](:[n:2]):[c:4](:[c:3])-[O:5]-[C:7](-[C:6])=[O:8]>>[O:5](-[C:7](-[C:6])(-[C:9])-[C:10])-[N:11]=[O:8].[c:1](:[n:2]):[c:4](:[c:3])-[N+:12](=[O:13])-[O-:14]	1	1861
+[c:1](:[n:2]):[c:4](:[c:3])-[O:5]>>[O:5](-[C:7](-[C:6])(-[C:9])-[C:10])-[N:11]=[O:8].[c:1](:[n:2]):[c:4](:[c:3])-[N+:12](=[O:13])-[O-:14]	1	1862
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+[c:1](:[n:2]):[c:4](:[c:3])-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]>>[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Br:10].[c:1](:[n:2]):[c:4](:[c:3])-[Br:11]	1	1864
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+[c:1](:[n:2]:[c:3](-[N:4](-[C:7])-[C:8]):[c:5]):[c:6]>>[c:1](:[n+:2](:[c:3](:[c:5])-[Cl:9])-[O-:10]):[c:6].[N:4](-[C:7])-[C:8]	1	1872
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+[c:1](:[n:2]:[c:3]:[c:4])(:[c:5])-[Cl:6]>>[Cl:6]-[P:8](=[O:9])(-[Cl:10])-[Cl:11].[c:1](:[n+:2](:[c:3]:[c:4])-[O-:7]):[c:5]	1	1874
+[c:1]-1:[c:2](:[c:3])-[B:4](-[O:5])-[O:6]-[C:7]-1>>[c:1](:[c:2](:[c:3])-[Br:15])-[C:7]=[O:6].[B:4]-1(-[O:5]-[C:12](-[C:9](-[C:8])(-[C:10])-[O:11]-1)(-[C:13])-[C:14])-[B:16]-2-[O:17]-[C:18](-[C:19])(-[C:20])-[C:21](-[O:22]-2)(-[C:23])-[C:24]	1	1875
+[c:1]-1:[c:2]-[O:3]-[C:4]-[C:5](=[O:6])-[N:7]-1-[C:8]>>[C:4](-[C:5](=[O:6])-[Cl:9])-[Cl:10].[C:8]-[I:11].[c:1](:[c:2]-[O:3])-[N:7]	1	1876
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+[c:1]-[C:2](-[C:3])-[C:4]>>[c:1]-[C:2](-[C:3])(-[C:4])-[O:5]	3	1879,1880,1881
+[c:1]-[C:2](-[C:3])-[N:4]-[C:5](=[O:6])-[C:7]>>[C:5](-[O:6])(-[C:7])=[O:9].[c:1]-[C:2](-[C:3])=[O:8].[N:4]	1	1882
+[c:1]-[C:2](-[C:3])-[c:4]>>[c:1]-[C:2](-[C:3])(-[c:4])-[O:5]	1	1883
+[c:1]-[C:2](-[C:3])-[c:6](:[c:4]):[c:5]>>[c:1]-[C:2](-[C:3])=[O:7].[c:4]:[c:6]:[c:5]	1	1884
+[c:1]-[C:2](-[C:3])-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1>>[c:1]-[C:2](-[C:3])=[O:16].[n:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:1)-[C:10](=[O:11])-[n:12]:2:[c:9]:[n:15]:[c:14]:[c:13]:2	1	1885
+[c:1]-[C:2](-[C:3])=[N:4]-[O:5]>>[c:1]-[C:2](-[C:3])-[O:6].[N:4]-[O:5]	1	1886
+[c:1]-[C:2](-[C:3])=[O:4]>>[C:3]-[Mg:5]-[Br:6].[c:1]-[C:2]=[O:4]	1	1887
+[c:1]-[C:2](-[C:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[O:5].[C:3]-[Mg:6]-[Br:7]	1	1888
+[c:1]-[C:2](-[C:3]-[C:4])-[C:5](=[O:6])-[O:7]-[C:8]>>[c:1]-[C:2]-[C:5](=[O:6])-[O:9].[C:3](-[C:4])-[I:10].[O:7]-[C:8]	1	1889
+[c:1]-[C:2](-[C:3]-[N:4]-[C:5])-[O:6]>>[N:4]-[C:5].[c:1]-[C:2](-[C:3]-[Br:7])=[O:6]	1	1890
+[c:1]-[C:2](-[C:7]-[C:5](-[N:4]-[c:3])=[O:6])=[O:8]>>[c:3]-[N+:4](=[O:13])-[O-:14].[c:1]-[C:2]-1=[C:7]-[C:5](=[O:6])-[O:9]-[C:10](-[O:8]-1)(-[C:11])-[C:12]	1	1891
+[c:1]-[C:2](-[Cl:3])-[c:4]>>[Cl:3]-[S:5](=[O:6])-[Cl:7].[c:1]-[C:2](-[c:4])=[O:8]	1	1892
+[c:1]-[C:2](-[Cl:3])=[N:4]-[O:5]>>[Cl:3]-[N:7]-1-[C:8](=[O:9])-[C:10]-[C:11]-[C:12]-1=[O:13].[N:4]-[O:5].[c:1]-[C:2]=[O:6]	1	1893
+[c:1]-[C:2](-[N:3])-[c:4]>>[c:1]-[C:2](-[c:4])=[O:6].[N:3]-[O:5]	1	1894
+[c:1]-[C:2](-[N:3])=[O:4]>>[N:3].[c:1]-[C:2](=[O:4])-[O:5]-[C:6]	2	1895,1896
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[O:5]-[C:6].[N:3]	1	1897
+[c:1]-[C:2](-[O:3])-[C:4](-[c:5])(-[S:6]-[C:7])-[S:9]-[C:8]>>[S:6]-[C:7].[C:8]-[S:9].[C:4](-[c:5])=[O:10].[c:1]-[C:2]=[O:3]	1	1898
+[c:1]-[C:2](-[O:3])-[C:4]-[N:5](-[C:6]-[C:7])-[C:8]>>[C:6](-[C:7])-[Br:10].[c:1]-[C:2](=[O:3])-[C:4]-[Br:9].[N:5]-[C:8]	1	1899
+[c:1]-[C:2](-[O:3]-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[n:9]:1)-[C:10](-[F:11])(-[F:12])-[F:13]>>[c:1]-[C:2]=[O:3].[C:10](-[F:11])(-[F:12])(-[F:13])-[Si:14](-[C:15])(-[C:16])-[C:17].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[n:9]:1)-[Cl:18]	1	1900
+[c:1]-[C:2](-[c:3](:[c:4]):[c:5])=[O:6]>>[c:3](:[c:4]):[c:5].[c:1]-[C:2](=[O:6])-[O:7]	1	1901
+[c:1]-[C:2](=[C:3](-[C:4]#[N:5])-[C:6](=[O:7])-[N:8])-[Cl:9]>>[N:5]-[C:16]-1-[C:17]-[C:18]-[C:19]-[C:20]-[C:21]-1.[Cl:9]-[P:10](=[O:11])(-[Cl:12])-[Cl:13].[c:1]-[C:2](=[C:3](-[C:4](=[O:14])-[O:22]-[C:23]-[C:24])-[C:6](=[O:7])-[N:8])-[O:15]	1	1902
+[c:1]-[C:2](=[N:3]-[O:4])-[Cl:5]>>[Cl:5]-[N:7]-1-[C:8](=[O:9])-[C:10]-[C:11]-[C:12]-1=[O:13].[N:3]-[O:4].[c:1]-[C:2]=[O:6]	1	1903
+[c:1]-[C:2](=[N:3]-[O:4])-[Cl:5]>>[c:1]-[C:2].[Cl:5]-[N:6]-1-[C:7](=[O:8])-[C:9]-[C:10]-[C:11]-1=[O:12].[N:3]-[O:4]	1	1904
+[c:1]-[C:2](=[N:3]-[O:4])-[Cl:5]>>[c:1]-[C:2]=[O:6].[Cl:5]-[N:7]-1-[C:8](=[O:9])-[C:10]-[C:11]-[C:12]-1=[O:13].[N:3]-[O:4]	1	1905
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[C:5](-[C:6](=[O:7])-[Cl:8])=[O:9].[c:1]-[C:2](=[O:3])-[O:10]-[C:11]	2	1906,1907
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[C:5](-[C:6](=[O:7])-[Cl:8])=[O:9].[c:1]-[C:2](=[O:3])-[O:10]-[C:11]-[C:12]	1	1908
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[c:1]-[C:2](=[O:3])-[O:8]-[C:9]	4	1909,1910,1911,1912
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[c:1]-[C:2]=[O:3]	1	1913
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[S:6](-[Cl:5])=[O:7].[c:1]-[C:2]=[O:3]	1	1914
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:9].[Cl:4]-[S:5](=[O:6])-[Cl:7]	1	1915
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:9].[Cl:4]-[S:6](-[Cl:5])=[O:7]	3	1916,1917,1918
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[c:1]-[C:2]=[C:5].[Cl:4]-[S:10](=[O:11])-[Cl:12].[O:3]=[Os:6](=[O:7])(=[O:8])=[O:9]	1	1919
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:12](=[O:10])-[O:13]-[C:14](-[C:7])(-[C:8])-[C:9].[c:1]-[C:2](=[O:3])-[O:11]	1	1920
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[c:1]-[C:2](=[O:3])-[O:7]	1	1921
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[c:1]-[C:2](=[O:3])-[Cl:7]	1	1922
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2](=[O:3])-[O:7]	2	1923,1924
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2](=[O:3])-[O:7]-[C:8]	4	1925,1926,1927,1928
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9]	2	1929,1930
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4]-[C:6].[C:5]-[I:8].[c:1]-[C:2](=[O:3])-[O:7]	1	1931
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[c:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9].[N:4](-[C:5])-[C:6]	1	1932
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[c:1]-[C:2](=[O:3])-[O:7]-[C:8].[N:4](-[C:5])-[C:6]	1	1933
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[c:1]-[C:2](=[O:3])-[O:7].[N:4](-[C:5])(-[C:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	1934
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[N:4](-[C:5])-[c:6].[c:1]-[C:2](=[O:3])-[O:7]	2	1935,1936
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[N:4](-[C:5])-[c:6].[c:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9]	1	1937
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6])-[c:7]>>[N:4](-[C:5](-[C:6])=[O:9])-[c:7].[c:1]-[C:2](=[O:3])-[Cl:8]	1	1938
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[c:1]-[C:2](=[O:3])-[O:9]-[C:10].[N:4]-[C:5]-[C:6](=[O:7])-[O:8]	1	1939
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]-[c:7]>>[c:1]-[C:2](=[O:3])-[O:8].[N+:4](-[C:5]=[C:6]-[c:7])(=[O:9])-[O-:10]	1	1940
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]>>[N:4]#[C:5]-[C:6].[c:1]-[C:2](=[O:3])-[O:7]	1	1941
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-1(-[C:5])-[C:7](=[O:8])-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-[C:15]-1=[O:16].[c:1]-[C:2](=[O:3])-[Cl:6]	1	1942
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[c:1]-[C:2](=[O:3])-[O:6]	2	1943,1944
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[c:1]-[C:2](=[O:3])-[O:6]-[C:7]	17	1945,1946,1947,1948,1949,1950,1951,1952,1953,1954,1955,1956,1957,1958,1959,1960,1961
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[c:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8]	1	1962
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[C:5]	2	1963,1964
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[C:5]	3	1965,1966,1967
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6].[N+:4](-[C:5])(=[O:7])-[O-:8]	1	1968
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6].[N:4](-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1969
+[c:1]-[C:2](=[O:3])-[N:4]-[N:5]=[C:6](-[C:7](=[O:8])-[N:9])-[c:10]>>[N:4]-[N:5].[c:1]-[C:2](=[O:3])-[O:11]-[C:12].[C:6](-[C:7](=[O:8])-[N:9])(-[c:10])=[O:13]	1	1970
+[c:1]-[C:2](=[O:3])-[N:4]-[N:5]>>[N:4]-[N:5].[c:1]-[C:2](=[O:3])-[O:6]	1	1971
+[c:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5].[c:1]-[C:2](=[O:3])-[O:6]-[C:7]	1	1972
+[c:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[S:5]	1	1973
+[c:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[S:5]	1	1974
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:9].[N:4]-[c:5](:[n:6]):[c:7]	1	1975
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[c:1]-[C:2](=[O:3])-[O:8]	1	1976
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[c:1]-[C:2](=[O:3])-[O:8]-[C:9]	1	1977
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:6]:[n:7]>>[N+:4](-[c:5]:[c:6]:[n:7])(=[O:9])-[O-:10].[c:1]-[C:2](=[O:3])-[Cl:8]	1	1978
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:6]:[n:7]>>[N:4]-[c:5]:[c:6]:[n:7].[c:1]-[C:2](=[O:3])-[O:8]	1	1979
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:7])-[O-:8].[c:1]-[C:2](=[O:3])-[O:6]	2	1980,1981
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4](-[c:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:1]-[C:2](=[O:3])-[O:6]	1	1982
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4]-[c:5].[c:1]-[C:2](=[O:3])-[O:6]	1	1983
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4]-[c:5].[c:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]	2	1984,1985
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[Cl:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	1	1986
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[c:5]	3	1987,1988,1989
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[O:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	1	1990
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[O:6].[N:4]-[c:5]	3	1991,1992,1993
+[c:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6].[O:4]-[C:5]	1	1994
+[c:1]-[C:2](=[O:3])-[O:4]-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11]>>[c:1]-[C:2](=[O:3])-[O:19]-[C:20].[O:4](-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11])-[C:13](-[N:14](-[C:15])-[C:16])=[N+:17](-[C:12])-[C:18]	1	1995
+[c:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:1]-[C:2]=[O:3].[c:4](:[c:5])(:[c:6])-[Mg:7]-[Br:8]	1	1996
+[c:1]-[C:2]-1-[C:3]-[C:4]-[C:5]-[N:6]-2-[C:7]-[C:8]-[S:9](=[O:10])(=[O:11])-[N:12]=[C:13]-1-2>>[C:7](-[C:8]-[S:9](=[O:10])(=[O:11])-[Cl:14])-[Cl:15].[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:13]:1-[N:12]	1	1997
+[c:1]-[C:2]-1-[C:3]=[C:4]-[C:5]=[N+:6](-[C:7]-1=[O:8])-[O-:9]>>[O:8]=[C:11](-[O:12]-[C:13](-[C:14])=[O:15])-[C:16].[O:9]-[O:10].[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:7]:1	1	1998
+[c:1]-[C:2]-1-[N:3]-[C:4](=[O:5])-[N:6]-[C:7](-[c:8](:[c:9]):[c:10])=[C:11]-1-[c:12]>>[C:7](-[C:11]-[c:12])(=[O:14])-[O:17].[N:3]-[C:4](=[O:5])-[N:6].[c:1]-[C:2]=[O:13].[c:8](:[c:9])(:[c:10])-[Mg:15]-[Br:16]	1	1999
+[c:1]-[C:2]-1-[N:3]-[C:4](=[O:5])-[N:6]-[C:7](-[c:8](:[c:9]):[c:10])=[C:11]-1-[c:12]>>[N:3]-[C:4](=[O:5])-[N:6].[C:7](-[C:11]-[c:12])(=[O:14])-[N:15](-[O:16]-[C:17])-[C:18].[c:1]-[C:2]=[O:13].[c:8](:[c:9])(:[c:10])-[Mg:19]-[Br:20]	1	2000
+[c:1]-[C:2]-1=[C:3](-[O:4])-[C:5]-[N:6]-[C:7]-1=[O:8]>>[C:3](=[O:4])(-[C:5]-[N:6])-[O:10]-[C:9].[c:1]-[C:2]-[C:7](=[O:8])-[O:11]	1	2001
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11].[N:3]-[O:4].[c:1]-[C:2]=[O:12]	1	2002
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11].[c:1]-[C:2]=[N:3]-[O:4]	1	2003
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[c:1]-[C:2].[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11].[N:3]-[O:4]	1	2004
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[c:1]-[C:2]=[N:3]-[O:4].[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11]	1	2005
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[c:1]-[C:2]=[O:12].[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11].[N:3]-[O:4]	1	2006
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[c:1]-[C:2](-[O:8])=[O:9]	1	2007
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[c:1]-[C:2]=[O:8]	1	2008
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:8])-[Br:9].[c:1]-[C:2](-[O:6])=[O:7]	1	2009
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[c:1]-[C:2](=[O:7])-[Cl:8]	1	2010
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[c:1]-[C:2](=[O:7])-[O:8]	1	2011
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[c:1]-[C:2]=[O:7]	6	2012,2013,2014,2015,2016,2017
+[c:1]-[C:2]-[Br:3]>>[Br:3].[c:1]-[C:2](=[O:4])-[O:5]-[C:6]-[C:7]	1	2018
+[c:1]-[C:2]-[C:3]#[N:4]>>[C:3]#[N:4].[c:1]-[C:2](-[O:5])=[O:6]	1	2019
+[c:1]-[C:2]-[C:3]#[N:4]>>[C:3]#[N:4].[c:1]-[C:2](=[O:5])-[O:6]-[C:7]	1	2020
+[c:1]-[C:2]-[C:3]#[N:4]>>[C:3]#[N:4].[c:1]-[C:2]-[O:5]	5	2021,2022,2023,2024,2025
+[c:1]-[C:2]-[C:3]#[N:4]>>[c:1]-[C:2](-[O:5])=[O:6].[C:3]#[N:4]	1	2026
+[c:1]-[C:2]-[C:3]#[N:4]>>[c:1]-[C:2]-[O:5].[C:3]#[N:4]	3	2027,2028,2029
+[c:1]-[C:2]-[C:3]#[N:4]>>[c:1]-[C:2].[C:3]#[N:4]	1	2030
+[c:1]-[C:2]-[C:3](-[O:4])=[O:5]>>[O:4]-[C:6]-[C:7].[c:1]-[C:2]-[Cl:9].[C:3]#[N:8].[O:5]	1	2031
+[c:1]-[C:2]-[C:3](=[O:4])-[O:5]>>[O:5]-[C:6].[C:3]#[N:7].[O:4].[c:1]-[C:2]-[Cl:8]	1	2032
+[c:1]-[C:2]-[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]>>[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9].[c:1]-[C:2]=[O:10]	2	2033,2034
+[c:1]-[C:2]-[C:3]-[C:4](-[C:5])=[O:6]>>[C:3]-[C:4](-[C:5])=[O:6].[c:1]-[C:2]=[O:7]	1	2035
+[c:1]-[C:2]-[C:3]-[C:4]-[O:5]>>[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:8]-[C:7]-[C:6]	1	2036
+[c:1]-[C:2]-[C:3]-[C:4]=[O:5]>>[C:3]-[C:4]=[O:5].[c:1]-[C:2]=[O:6]	1	2037
+[c:1]-[C:2]-[C:3]-[C:4]=[O:5]>>[c:1]-[C:2]=[O:6].[C:3]-[C:4]=[O:5]	1	2038
+[c:1]-[C:2]-[C:3]-[N+:4]>>[C:3]-[N+:4].[c:1]-[C:2]=[O:5]	3	2039,2040,2041
+[c:1]-[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2]=[C:3]-[O:7]-[C:8]	1	2042
+[c:1]-[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2]=[O:9].[C:3](-[O:7]-[C:8])-[P+:10](-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)(-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2)-[c:23]:3:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:3	1	2043
+[c:1]-[C:2]-[C:3]-[N:4]-[C:5](-[C:6])=[O:7]>>[c:1]-[C:2]=[C:3]-[N+:4](=[O:9])-[O-:10].[C:5](-[C:6])(=[O:7])-[O:8]	1	2044
+[c:1]-[C:2]-[C:3]-[N:4]>>[C:3]-[N+:4](=[O:5])-[O-:6].[c:1]-[C:2]=[O:7]	3	2045,2046,2047
+[c:1]-[C:2]-[C:3]-[N:4]>>[c:1]-[C:2]-[Br:5].[C:3]#[N:4]	2	2048,2049
+[c:1]-[C:2]-[C:3]-[N:4]>>[c:1]-[C:2].[C:3]#[N:4]	1	2050
+[c:1]-[C:2]-[C:3]-[N:4]>>[c:1]-[C:2]=[C:3]-[N+:4](=[O:5])-[O-:6]	4	2051,2052,2053,2054
+[c:1]-[C:2]-[C:3]=[O:4]>>[c:1]-[C:2]=[O:6].[C:3](-[O:4]-[C:5])-[P+:7](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	2	2055,2056
+[c:1]-[C:2]-[C:3]>>[c:1]-[C:2](-[C:3])=[O:4]	1	2057
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[C:4]-[Cl:5].[c:1]-[C:2](=[O:6])-[O:7]-[C:8]	1	2058
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](-[C:5])(=[O:6])=[O:7].[c:1]-[C:2](=[O:8])-[O:9]-[C:10]	1	2059
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](-[Cl:7])=[O:8].[c:1]-[C:2](-[O:5])=[O:6]	1	2060
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](-[Cl:8])=[O:9].[c:1]-[C:2](=[O:5])-[O:6]-[C:7]	1	2061
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[c:1]-[C:2](-[O:7])=[O:8]	2	2062,2063
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[c:1]-[C:2](-[O:7]-[C:9]-[C:10])=[O:8]	1	2064
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[c:1]-[C:2](=[O:7])-[O:8]-[C:9]-[C:10]	1	2065
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[c:1]-[C:2]=[O:7]	2	2066,2067
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:5](-[Cl:4])=[O:6].[c:1]-[C:2](=[O:7])-[O:8]-[C:9]	1	2068
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2](-[O:8])=[O:9].[Cl:3]-[C:5](-[Cl:4])(-[Cl:6])-[Cl:7]	1	2069
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2]=[O:6].[Cl:3]-[C:5]-[Cl:4]	1	2070
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2]=[O:7].[Cl:3]-[S:5](-[Cl:4])=[O:6]	1	2071
+[c:1]-[C:2]-[N:3](-[C:4](-[C:5])=[O:6])-[c:7]>>[C:4](-[C:5])(=[O:6])-[Cl:9].[N:3]-[c:7].[c:1]-[C:2]=[O:8]	1	2072
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[N:7]-[C:8]>>[N:3]-[C:4].[c:1]-[C:2]=[O:9].[C:5](=[O:6])=[N:7]-[C:8]	1	2073
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[c:1]-[C:2]=[O:12].[N:3]-[C:4]	1	2074
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[c:7]:[c:8]:[n:9]>>[c:1]-[C:2]=[O:10].[N:3]-[C:4].[C:5](=[O:6])(-[c:7]:[c:8]:[n:9])-[O:11]	1	2075
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:4]=[O:7].[N:3]-[C:5].[c:1]-[C:2]=[O:6]	1	2076
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:1]-[C:2]-[Br:6]	1	2077
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:1]-[C:2]=[O:6]	3	2078,2079,2080
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2](-[O:6])=[O:7]	2	2081,2082
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2](-[O:6]-[C:7])-[O:8]-[C:9]	1	2083
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2](-[O:6]-[C:8]-[C:9])=[O:7]	1	2084
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2](=[O:6])-[O:7]	2	2085,2086
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2]-[O:6]	9	2087,2088,2089,2090,2091,2092,2093,2094,2095
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[c:1]-[C:2]-[O:6].[N:3](-[C:4])-[C:5]	1	2096
+[c:1]-[C:2]-[N:3](-[C:4])-[C:6](-[C:5])=[O:7]>>[N:3](-[C:4])-[C:6](-[C:5])=[O:7].[c:1]-[C:2]-[O:8]	1	2097
+[c:1]-[C:2]-[N:3](-[C:4])-[S:5](=[O:6])(=[O:7])-[C:8]>>[N:3]-[C:4].[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:10].[c:1]-[C:2]=[O:9]	1	2098
+[c:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:6]=[O:7]>>[c:1]-[C:2].[N:3](-[C:4]=[O:5])-[C:6]=[O:7]	1	2099
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[C:6]>>[C:4](=[O:5])(-[C:6])-[O:7].[c:1]-[C:2]#[N:3]	1	2100
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[Cl:7].[c:1]-[C:2]#[N:3]	1	2101
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[O:7].[N:3]-[O:8].[c:1]-[C:2]=[O:9]	1	2102
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[O:8].[c:1]-[C:2]=[N:3]-[O:7]	1	2103
+[c:1]-[C:2]-[N:3]-[C:4]>>[N:3](-[C:4])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[c:1]-[C:2]=[O:5]	1	2104
+[c:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[c:1]-[C:2](=[O:5])-[O:6]-[C:7]	1	2105
+[c:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[c:1]-[C:2]-[O:5]	1	2106
+[c:1]-[C:2]-[N:3]-[C:4]>>[c:1]-[C:2](=[O:5])-[O:6]-[C:7].[N:3]-[C:4]	1	2107
+[c:1]-[C:2]-[N:3]-[C:4]>>[c:1]-[C:2]-[O:5].[N:3]-[C:4]	2	2108,2109
+[c:1]-[C:2]-[N:3]-[C:4]>>[c:1]-[C:2].[N:3]-[C:4]	1	2110
+[c:1]-[C:2]-[N:3]-[C:4]>>[c:1]-[C:2]=[O:5].[N:3]-[C:4]	2	2111,2112
+[c:1]-[C:2]-[N:3]-[c:4]:[c:6]:[n:5]>>[c:1]-[C:2]=[O:7].[N+:3](-[c:4]:[c:6]:[n:5])(=[O:8])-[O-:9]	1	2113
+[c:1]-[C:2]-[N:3]-[c:4]>>[N:3]-[c:4].[c:1]-[C:2]-[O:5]	1	2114
+[c:1]-[C:2]-[N:3]-[c:4]>>[c:1]-[C:2].[N:3]-[c:4]	1	2115
+[c:1]-[C:2]-[N:3]-[c:4]>>[c:1]-[C:2]=[O:5].[N+:3](-[c:4])(=[O:6])-[O-:7]	1	2116
+[c:1]-[C:2]-[N:3]=[N+:4]=[N-:5]>>[c:1]-[C:2].[N-:3]=[N+:4]=[N-:5]	1	2117
+[c:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[N-:3]=[N+:5]=[N-:4].[c:1]-[C:2]-[O:6]	1	2118
+[c:1]-[C:2]-[N:3]>>[N:3]-[O:4].[c:1]-[C:2]=[O:5]	1	2119
+[c:1]-[C:2]-[N:3]>>[c:1]-[C:2]-[O:14].[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	2120
+[c:1]-[C:2]-[N:3]>>[c:1]-[C:2].[N:3]	1	2121
+[c:1]-[C:2]-[O:3]-[C:4](-[C:5]-[C:6])-[O:7]>>[C:4](=[C:5]-[C:6])-[O:7].[c:1]-[C:2]=[O:3]	1	2122
+[c:1]-[C:2]-[O:3]-[C:4]>>[c:1]-[C:2]=[O:3].[C:4]-[I:5]	1	2123
+[c:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:9].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:10]	1	2124
+[c:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[c:1]-[C:2]=[O:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:8]	1	2125
+[c:1]-[C:2]-[O:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[O:7].[c:1]-[C:2]=[O:3]	1	2126
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[c:1]-[C:2]-[Br:5]	1	2127
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6].[c:1]-[C:2]-[Br:5]	1	2128
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6].[c:1]-[C:2]-[Cl:5]	1	2129
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3]-[c:4].[c:1]-[C:2]	1	2130
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3]-[c:4].[c:1]-[C:2]-[O:5]	1	2131
+[c:1]-[C:2]-[O:3]-[c:4]>>[c:1]-[C:2]-[O:5].[O:3]-[c:4]	1	2132
+[c:1]-[C:2]-[O:3]-[c:4]>>[c:1]-[C:2]=[O:5].[O:3]-[c:4]	1	2133
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2]#[N:4].[O:3]	1	2134
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](-[O:3]-[C:4])=[O:5]	1	2135
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](-[O:3]-[C:5])=[O:4]	4	2136,2137,2138,2139
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](-[O:3]-[C:5]-[C:6])=[O:4]	1	2140
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](=[O:3])-[O:4]	5	2141,2142,2143,2144,2145
+[c:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[c:1]-[C:2](-[O:7])=[O:8].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9]	1	2146
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[C:2](=[O:6])-[O:7].[c:3](:[c:4]):[c:5]	1	2147
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[C:2]=[O:6].[c:3](:[c:4])(:[c:5])-[Br:7]	2	2148,2149
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[C:2]=[O:6].[c:3](:[c:4])(:[c:5])-[Mg:7]-[Br:8]	1	2150
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:7].[c:1]-[C:2]=[O:6]	1	2151
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4]):[c:5].[c:1]-[C:2](=[O:6])-[Cl:7]	1	2152
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4]):[c:5].[c:1]-[C:2](=[O:6])-[O:7]	1	2153
+[c:1]-[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1>>[c:1]-[C:2]=[O:9].[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1	1	2154
+[c:1]-[C:2]-[c:3]>>[c:1]-[C:2](-[c:3])=[O:4]	1	2155
+[c:1]-[C:2]-[n:3]:1:[c:4](-[C:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:3]-[c:8](:[c:7](-[N+:6](=[O:12])-[O-:13]):[c:10]):[c:9].[c:1]-[C:2]-[Br:11].[C:4](-[C:5])(=[O:14])-[O:15]	1	2156
+[c:1]-[C:2]-[n:3]:1:[c:4](-[C:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:3]-[c:8](:[c:7](-[N:6]):[c:10]):[c:9].[c:1]-[C:2]-[Br:11].[C:4](-[C:5])(=[O:12])-[O:13]	1	2157
+[c:1]-[C:2]=[C:3](-[C:4]#[N:5])-[S:6]>>[c:1]-[C:2](-[O:7])=[O:8].[C:3](-[C:4]#[N:5])-[S:6]	1	2158
+[c:1]-[C:2]=[C:3](-[C:4]#[N:5])-[S:6]>>[c:1]-[C:2]-[O:7].[C:3](-[C:4]#[N:5])-[S:6]	1	2159
+[c:1]-[C:2]=[C:3]-[C:4]>>[c:1]-[C:2](-[C:3]-[C:4])=[O:5]	1	2160
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+[c:1]-[C:2]=[N:3]-[O:4]>>[N:3]-[O:4].[c:1]-[C:2]-[O:5]	1	2162
+[c:1]-[C:2]=[N:3]-[O:4]>>[c:1]-[C:2]-[O:5].[N:3]-[O:4]	1	2163
+[c:1]-[C:2]=[N:3]-[O:4]>>[c:1]-[C:2].[N:3]-[O:4]	1	2164
+[c:1]-[C:2]=[O:3]>>[O:3]=[S:4](-[C:5])-[C:6].[c:1]-[C:2]	1	2165
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](-[O:3])=[O:4]	3	2166,2167,2168
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](-[O:3]-[C:5])=[O:4]	1	2169
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](=[O:3])-[O:4]	1	2170
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](=[O:3])-[O:4]-[C:5]	5	2171,2172,2173,2174,2175
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]	2	2176,2177
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]-[O:3]-[Si:4](-[C:5](-[C:6])(-[C:7])-[C:8])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2	1	2178
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7](-[C:8])(-[C:9])-[C:10]	1	2179
+[c:1]-[C:3](-[C:2])-[N:4]-[S:5](=[O:6])(=[O:7])-[c:8]>>[c:1]-[C:3](-[C:2])=[O:9].[N:4].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:10]	1	2180
+[c:1]-[C:3](-[C:2])-[N:4]=[N+:6]=[N-:5]>>[c:1]-[C:3](-[C:2])=[O:21].[N:4](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:7]:[c:20]:[c:19]:[c:18]:[c:17]:2	1	2181
+[c:1]-[C:3](-[C:2])-[N:4]>>[c:1]-[C:3](-[C:2])-[O:7].[N:4](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	1	2182
+[c:1]-[C:3](-[C:2])-[N:4]>>[c:1]-[C:3](-[C:2])=[O:21].[N:4](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:7]:[c:20]:[c:19]:[c:18]:[c:17]:2	1	2183
+[c:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]>>[C:3]-[I:7].[C:4](=[O:5])(-[c:6])-[O:8].[c:1]-[N:2]	1	2184
+[c:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]>>[C:3]-[I:8].[C:4](=[O:5])(-[c:6])-[Cl:7].[c:1]-[N:2]	1	2185
+[c:1]-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]>>[C:3](-[C:4])-[Cl:10].[C:5]-[C:6]-[Cl:9].[c:1]-[N+:2](=[O:7])-[O-:8]	1	2186
+[c:1]-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]>>[c:1]-[N+:2](=[O:7])-[O-:8].[C:3](-[C:4])-[Cl:9].[C:5]-[C:6]-[Cl:10]	1	2187
+[c:1]-[N:2](-[C:3]-[C:4])-[S:5](-[C:6])(=[O:7])=[O:8]>>[c:1]-[N:2].[C:3](-[C:4])-[Br:10].[S:5](-[C:6])(=[O:7])(=[O:8])-[Cl:9]	1	2188
+[c:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[C:7]-1=[O:8]>>[C:3](=[O:4])(-[c:5]:[c:6]-[C:7](=[O:8])-[O:10])-[O:9].[c:1]-[N:2]	1	2189
+[c:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[C:7]-1=[O:8]>>[c:1]-[N+:2](=[O:9])-[O-:10].[C:3]-1(=[O:4])-[c:5]:[c:6]-[C:7](=[O:8])-[O:11]-1	1	2190
+[c:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[N:7]=[C:8]-1-[C:9]>>[C:8](-[C:9])(=[O:11])-[Cl:12].[C:3](=[O:4])(-[c:5]:[c:6]-[N:7])-[O:10].[c:1]-[N:2]	1	2191
+[c:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-1=[O:7]>>[C:3](-[C:4]-[C:5]-[C:6](=[O:7])-[Cl:9])-[Cl:8].[c:1]-[N:2]	2	2192,2193
+[c:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:8].[c:1]-[N+:2](=[O:6])-[O-:7]	2	2194,2195
+[c:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	2	2196,2197
+[c:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[O:8]-[C:9](-[C:10])=[O:11].[c:1]-[N+:2](=[O:6])-[O-:7]	2	2198,2199
+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[C:3](=[N:4]-[C:7](=[O:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)=[S:5].[c:1]-[N:2]	1	2200
+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[C:3](=[N:4]-[C:8](=[O:9])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)=[S:5].[c:1]-[N+:2](=[O:6])-[O-:7]	1	2201
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+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[N:4]-[C:9](=[O:8])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)=[S:5]	2	2203,2204
+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[c:1]-[N:2].[C:3](=[N:4]-[C:7](=[O:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)=[S:5]	2	2205,2206
+[c:1]-[N:2]-[C:3](-[N:4]-[C:9]=[O:8])=[S:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[N:4]-[C:9]=[O:8])=[S:5]	2	2207,2208
+[c:1]-[N:2]-[C:3](-[c:4](:[c:5]):[n:6])=[O:7]>>[C:3](-[c:4](:[c:5]):[n:6])(=[O:7])-[O:8]-[C:9]-[C:10].[c:1]-[N:2]	1	2209
+[c:1]-[N:2]-[C:3](=[N:4])-[c:5](:[c:6]):[s:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[N:4])(-[c:5](:[c:6]):[s:7])-[S:10]-[C:11]	1	2210
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[N:8]>>[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[N:8])-[O:11].[c:1]-[N+:2](=[O:9])-[O-:10]	1	2211
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]-[N:6](-[C:7])-[C:8]>>[C:3](=[O:4])(-[C:5]-[Cl:9])-[Cl:10].[N:6](-[C:7])-[C:8].[c:1]-[N:2]	3	2212,2213,2214
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]=[O:6]>>[C:3](=[O:4])(-[C:5]=[O:6])-[Cl:9].[c:1]-[N+:2](=[O:7])-[O-:8]	1	2215
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](-[O:4])(-[C:5])=[O:8].[c:1]-[N+:2](=[O:6])-[O-:7]	1	2216
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:13].[c:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	2217
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	2	2218,2219
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8].[c:1]-[N:2]	1	2220
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6].[c:1]-[N:2]	2	2221,2222
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:8].[c:1]-[N+:2](=[O:6])-[O-:7]	9	2223,2224,2225,2226,2227,2228,2229,2230,2231
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[C:5])-[Cl:8]	2	2232,2233
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[C:5])-[O:8]	5	2234,2235,2236,2237,2238
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[c:1]-[N:2].[N:5](-[C:6])-[C:7].[C:3](=[O:4])(-[O:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1)-[Cl:15]	1	2239
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[c:1]-[N:2]=[C:3]=[O:4].[N:5](-[C:6])(-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	2240
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[C:3](=[O:4])=[N:5]-[C:6].[c:1]-[N+:2](=[O:7])-[O-:8]	1	2241
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[C:3](=[O:4])(-[O:7]-[C:8](-[Cl:9])(-[Cl:10])-[Cl:11])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16].[c:1]-[N:2]	1	2242
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N+:2](=[O:7])-[O-:8].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:12]:[c:13]:[c:9]:[c:15]:[c:16]:1)-[Cl:14]	1	2243
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N+:2](=[O:7])-[O-:8].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:9]:[c:12]:[c:13]:[c:15]:[c:16]:1)-[Cl:14]	1	2244
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N:2].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1)-[Cl:14]	2	2245,2246
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N:2].[C:3](=[O:4])(-[O:8]-[C:10](-[C:7])=[C:9])-[Cl:11]	1	2247
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+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[c:1]-[N:2].[N:5]-[C:6].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1)-[Cl:14]	1	2250
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[c:7]):[n:8]>>[N:5]-[c:6](:[c:7]):[n:8].[c:1]-[N:2].[C:3](=[O:4])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	2251
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[c:9]:[n:8]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:1)-[Cl:17].[N:5]-[c:6](:[n:7]):[c:9]:[n:8]	1	2252
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:7])-[O-:8].[c:1]-[N:2]=[C:3]=[O:4]	1	2253
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[C:3](=[O:4])=[N:5]-[c:6]	1	2254
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+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[c:1]-[N+:2](=[O:10])-[O-:11]	1	2256
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[c:1]-[N+:2](=[O:10])-[O-:11].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	2257
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]>>[C:3](=[O:4])(-[O:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	2	2258,2259
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[O:5])-[Cl:8]	5	2260,2261,2262,2263,2264
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:10]	1	2265
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:8]-[C:9]	1	2266
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[Cl:10]	1	2267
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[O:10]	1	2268
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[O:8]-[C:9]	1	2269
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:8]	1	2270
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[Cl:10].[c:1]-[N+:2](=[O:8])-[O-:9]	1	2271
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:10]	2	2272,2273
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:10].[c:1]-[N+:2](=[O:8])-[O-:9]	1	2274
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[s:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[s:7])-[O:8].[c:1]-[N:2]	1	2275
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	1	2276
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:12].[c:1]-[N:2]-[C:6](=[O:7])-[C:8](-[F:9])(-[F:10])-[F:11]	1	2277
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6]-[C:7].[c:1]-[N:2]	1	2278
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6].[c:1]-[N:2]	2	2279,2280
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:8]-[C:9].[c:1]-[N+:2](=[O:6])-[O-:7]	1	2281
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:8].[c:1]-[N+:2](=[O:6])-[O-:7]	1	2282
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[c:5])-[Cl:8]	4	2283,2284,2285,2286
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[c:5])-[O:8]	4	2287,2288,2289,2290
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+[c:1]-[N:2]-[C:3]-[C:4]-[O:5]>>[C:3]-1-[C:4]-[O:5]-1.[c:1]-[N+:2](=[O:6])-[O-:7]	1	2294
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])(=[O:5])-[Cl:6].[c:1]-[N:2]	1	2295
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[c:1]-[N:2]	1	2296
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])=[O:12].[c:1]-[N:2]-[C:5](-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])=[O:11]	1	2297
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])=[O:7].[c:1]-[N+:2](=[O:5])-[O-:6]	1	2298
+[c:1]-[N:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:7].[c:1]-[N+:2](=[O:5])-[O-:6]	3	2299,2300,2301
+[c:1]-[N:2]-[C:3]-[c:4]>>[C:3]-[c:4].[c:1]-[N:2]	1	2302
+[c:1]-[N:2]-[C:3]-[c:4]>>[c:1]-[N:2].[C:3](-[c:4])(=[O:5])-[Cl:6]	1	2303
+[c:1]-[N:2]-[C:3]=[O:4]>>[c:1]-[N+:2](=[O:5])-[O-:6].[C:3](=[O:4])-[O:7]	1	2304
+[c:1]-[N:2]-[C:6](-[C:5]-[N:3]-[C:4])=[O:7]>>[N:3]-[C:4].[C:5](-[C:6](=[O:7])-[Cl:9])-[Cl:8].[c:1]-[N:2]	1	2305
+[c:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:9].[c:1]-[N+:2](=[O:7])-[O-:8]	1	2306
+[c:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:9]	9	2307,2308,2309,2310,2311,2312,2313,2314,2315
+[c:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[c:1]-[N:2]-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:14]	1	2316
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[c:1]-[N+:2](=[O:10])-[O-:11].[S:3](=[O:4])(=[O:5])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:12]-[S:13](=[O:14])(=[O:15])-[C:16](-[F:17])(-[F:18])-[F:19]	1	2317
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[c:8]>>[c:6](:[c:7]):[c:8].[c:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[Cl:9])-[O:10]	1	2318
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:9].[c:1]-[N+:2](=[O:7])-[O-:8]	2	2319,2320
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:9]	4	2321,2322,2323,2324
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[c:1]-[N:2]-[C:7](-[O:8]-[C:9]-[C:10]=[C:11])=[O:12].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:13]	1	2325
+[c:1]-[N:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:8].[c:1]-[N+:2](=[O:6])-[O-:7]	1	2326
+[c:1]-[N:2]-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]>>[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:10].[c:1]-[N+:2](=[O:8])-[O-:9]	1	2327
+[c:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:10]	1	2328
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1)-[Cl:12].[c:1]-[N+:2](=[O:10])-[O-:11]	1	2329
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1)-[O:10].[c:1]-[N:2]	1	2330
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[N+:2](=[O:9])-[O-:10].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	1	2331
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[N:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	2	2332,2333
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9].[c:1]-[N:2]	1	2334
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](-[C:6](-[N:7])=[O:8]):[c:9](-[N:10]-[C:11](=[O:12])-[c:13]):[s:14]:1>>[N:4]-[C:5](-[C:6](-[N:7])=[O:8])-[C:9]#[N:10].[C:11](=[O:12])(-[c:13])-[Cl:15].[c:1]-[N:2]=[C:3]=[S:14]	1	2335
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](-[C:6](=[O:7])-[O:8]):[c:9]:[s:10]:1>>[C:5](-[C:6](=[O:7])-[O:8])(-[C:9]-[Br:19])=[O:20].[c:1]-[N:2].[C:3](=[N:4]-[C:11](=[O:12])-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)=[S:10]	1	2336
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](-[N:6]):[c:7](-[C:8]=[O:9]):[s:10]:1>>[N:4]-[C:5]#[N:6].[C:7](-[C:8]=[O:9])-[Br:21].[C:3](=[S:10])(-[n:11]:1:[c:12]:[c:13]:[n:14]:[c:15]:1)-[n:16]:2:[c:17]:[c:18]:[n:19]:[c:20]:2.[c:1]-[N:2]	1	2337
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1-[C:10]):[c:8]>>[N+:4](-[c:5](:[c:6](:[c:7])-[N:9]-[C:10]):[c:8])(=[O:12])-[O-:13].[c:1]-[N:2]=[C:3]=[S:11]	1	2338
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:1]-[N+:2](=[O:9])-[O-:10].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:11]	3	2339,2340,2341
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:11].[c:1]-[N+:2](=[O:9])-[O-:10]	2	2342,2343
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:10]-[C:9].[c:1]-[N:2]	2	2344,2345
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[o:7]:1>>[c:3]:1:[n:4]:[c:5]:[c:6]:[o:7]:1.[c:1]-[N:2]	1	2346
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:3](-[c:8](:[c:7](-[N:6]):[c:10]):[c:9])(=[O:11])-[O:12].[N:4]-[C:5]=[O:13].[c:1]-[N:2]	1	2347
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:4]-[C:5]=[O:11].[C:3](-[c:8](:[c:7](-[N+:6](=[O:14])-[O-:15]):[c:10]):[c:9])(=[O:12])-[O:13].[c:1]-[N:2]	1	2348
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	1	2349
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9].[c:1]-[N:2]	1	2350
+[c:1]-[N:2]=[C:3]=[S:4]>>[C:3](=[S:4])(-[Cl:7])-[Cl:8].[c:1]-[N+:2](=[O:5])-[O-:6]	4	2351,2352,2353,2354
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+[c:1]-[N:5]-[C:3](=[S:2])-[c:4]>>[C:3](-[c:4])(=[O:27])-[Cl:28].[c:1]-[N:5].[S:2]=[P:7]-1(-[S:8]-[P:9](-[c:10]:2:[c:11]:[c:12]:[c:13](-[O:14]-[C:15]):[c:16]:[c:17]:2)(=[S:18])-[S:19]-1)-[c:20]:3:[c:6]:[c:26]:[c:23](:[c:22]:[c:21]:3)-[O:24]-[C:25]	1	2357
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[O:6].[c:1]-[O:2]	2	2358,2359
+[c:1]-[O:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[O:7]-[C:8](-[C:9])=[O:10].[c:1]-[O:2]-[C:6]	2	2360,2361
+[c:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6].[c:1]-[O:2]	1	2362
+[c:1]-[O:2]-[C:3]-1(-[C:4](=[O:5])-[O:6])-[C:7]-[C:8]-1>>[C:3](-[C:4](=[O:5])-[O:6])(-[C:7]-[C:8]-[Br:9])-[Br:10].[c:1]-[O:2]	1	2363
+[c:1]-[O:2]-[C:3]-[C:4](=[O:5])-[N:6]-[c:7]>>[C:3](-[C:4](=[O:5])-[Cl:9])-[Cl:8].[c:1]-[O:2].[N:6]-[c:7]	1	2364
+[c:1]-[O:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])-[Br:8].[c:1]-[O:2]-[C:7]	1	2365
+[c:1]-[O:2]-[C:3]-[C:4]-[C:5]>>[c:1]-[O:2].[C:3]=[C:4]-[C:5]	1	2366
+[c:1]-[O:2]-[C:3]-[C:4]=[C:5](-[Cl:6])-[Cl:7]>>[C:3](-[C:4]=[C:5](-[Cl:6])-[Cl:7])-[Cl:16].[c:1]-[O:2]-[C:8](=[O:9])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	2367
+[c:1]-[O:2]-[C:3]-[C:4]=[O:5]>>[C:3](-[C:4]=[O:5])-[Br:13].[c:1]-[O:2]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	2368
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+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:12].[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	2	2370,2371
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+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:12].[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	2	2380,2381
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[c:1]-[O:2]	2	2382,2383
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+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2]-[Si:5](-[C:6](-[C:7])(-[C:8])-[C:9])(-[C:10])-[C:11].[C:3](-[C:4])-[O:12]	1	2387
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+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])-[Cl:14].[c:1]-[O:2]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	2392
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+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[O:2]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:3](-[c:4](:[n:5]):[c:6])-[Cl:14]	1	2394
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[O:2]-[C:7].[C:3](-[c:4](:[n:5]):[c:6])-[Cl:8]	1	2395
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[O:2].[C:3](-[c:4](:[n:5]):[c:6])-[O:7]	1	2396
+[c:1]-[O:2]-[C:3]-[c:4]:[c:6]:[n:5]>>[C:3](-[c:4]:[c:6]:[n:5])(=[O:7])-[O:8]-[C:9].[c:1]-[O:2]	1	2397
+[c:1]-[O:2]-[C:3]-[c:4]:[c:6]:[n:5]>>[C:3](-[c:4]:[c:6]:[n:5])-[O:7].[c:1]-[O:2]	1	2398
+[c:1]-[O:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:12].[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	1	2399
+[c:1]-[O:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:12].[c:1]-[O:2]-[Si:5](-[C:6](-[C:7])(-[C:8])-[C:9])(-[C:10])-[C:11]	1	2400
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+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1.[C:3](-[c:4])-[Br:12]	1	2402
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2]-[C:5].[C:3](-[c:4])-[Br:6]	1	2403
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+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2].[C:3](-[c:4])-[O:5]	1	2406
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+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1>>[S:3](=[O:4])(=[O:5])(-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1)-[Cl:14].[c:1]-[O:2]-[C:13]	1	2411
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+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[O:2]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[c:3](:[c:4])(:[c:5])-[B:13](-[O:14])-[O:15]	2	2414,2415
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+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[B:13](-[O:14])-[O:15].[c:1]-[O:2]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	2417
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+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6]-[c:7])-[c:8]>>[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:9].[C:6](-[c:7])=[O:10].[N:5]-[c:8]	1	2421
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6]>>[N:5](-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	2422
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6]>>[N:5](-[C:6])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	2423
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:8])-[O-:9].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	2424
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+[c:1]-[c:2]:1:[c:3](-[C:4]):[s:5]:[c:6](-[N:7]-[C:8](=[O:9])-[c:10]):[n:11]:1>>[S:5]=[C:6](-[N:7])-[N:11].[C:8](=[O:9])(-[c:10])-[Cl:12].[c:1]-[C:2](-[C:3]-[C:4])=[O:13]	1	2428
+[c:1]-[c:2]:1:[c:3](-[C:4]):[s:5]:[c:6](-[N:7]-[C:8](=[O:9])-[c:10]):[n:11]:1>>[S:5]=[C:6](-[N:7])-[N:11].[C:8](=[O:9])(-[c:10])-[Cl:14].[c:1]-[C:2](-[C:3](-[C:4])-[Br:12])=[O:13]	1	2429
+[c:1]-[c:2]:1:[c:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[F:8]):[n:9]:[n:10]:1-[c:11]>>[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])(=[O:13])-[O:14]-[C:15]-[C:16].[N:9]-[N:10]-[c:11].[c:1]-[C:2](-[C:3])=[O:12]	1	2430
+[c:1]-[c:2]:1:[c:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[c:1]-[C:2]#[C:3]-[Si:9](-[C:10])(-[C:11])-[C:12].[c:4](:[c:5](:[c:6])-[O:8])(:[c:7])-[I:13]	1	2431
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+[c:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[N:6]):[n:7]:1>>[S:4]=[C:5](-[N:6])-[N:7].[c:1]-[C:2](-[C:3])=[O:8]	1	2433
+[c:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[c:6]):[n:7]:1>>[C:5](-[c:6])(-[N:7])=[O:31].[S:4]=[P:10]-1(-[S:11]-[P:12](-[c:13]:2:[c:14]:[c:15]:[c:16](-[O:17]-[C:18]):[c:19]:[c:20]:2)(=[S:21])-[S:22]-1)-[c:23]:3:[c:24]:[c:25]:[c:26](-[O:27]-[C:28]):[c:29]:[c:30]:3.[c:1]-[C:2](-[C:3]-[Br:8])=[O:9]	1	2434
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[o:9]:1>>[N:3]#[C-:4]~[Cu+:12].[N:8]-[O:9].[c:5](:[c:6])(:[c:7])-[Br:13].[c:1]-[C:2](=[O:10])-[O:11]	1	2435
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6](-[C:7]-[N:8]):[c:9](-[N:10]):[n:11]:1>>[C:6](-[C:7]#[N:8])-[C:9]#[N:10].[C:4](-[c:5])=[O:12].[c:1]-[C:2](=[N:3])-[N:11]	1	2436
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:6]-[O:7].[N:3]#[C:4]-[c:5].[c:1]-[C:2](=[O:8])-[Cl:9]	2	2437,2438
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:6]-[O:7].[N:3]#[C:4]-[c:5].[c:1]-[C:2](=[O:8])-[O:9]	1	2439
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[N+:3](=[O:11])(-[O-:12])-[O:13].[c:1]-[C:2](=[O:9])-[O:10].[c:4](:[c:5](:[c:6])-[O:8]):[c:7]	1	2440
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[c:1]-[C:2](=[O:9])-[O:10].[N+:3](-[c:4](:[c:5](:[c:6])-[O:8]):[c:7])(=[O:11])-[O-:12]	1	2441
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6](=[O:7])-[O:9]):[c:8]:1>>[C:5](-[C:6](=[O:7])-[O:9])(=[O:10])-[O:12]-[C:13]-[C:14].[N:3]-[N:4].[c:1]-[C:2](-[C:8])=[O:11]	1	2442
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[o:7]:1>>[N:3]-[N:4]-[C:5](-[C:6])=[O:8].[c:1]-[C:2](=[O:7])-[O:9]	1	2443
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[c:1]-[C:2](=[O:8])-[Cl:9].[N:3]-[N:4]-[C:5](-[c:6])=[O:7]	2	2444,2445
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1>>[N:3]-[N:4].[C:5](-[N:8](-[C:7])-[C:9])(-[O:11]-[C:12])-[O:13]-[C:14].[c:1]-[C:2](-[C:6])=[O:10]	1	2446
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:5](-[C:6])(=[O:8])-[O:9].[N:3]-[O:4].[c:1]-[C:2]#[N:7]	1	2447
+[c:1]-[n:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:1>>[C:3]-1(-[C:4]-[C:5]-[C:6](-[O:9]-1)-[O:10]-[C:11])-[O:12]-[C:13].[c:1]-[N+:2](=[O:7])-[O-:8]	1	2448
+[c:1]-[n:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1>>[C:3](-[O:9]-[C:10]-[C:11])(-[O:12]-[C:13]-[C:14])-[O:15]-[C:16]-[C:17].[N-:4]=[N+:5]=[N-:6].[c:1]-[N+:2](=[O:7])-[O-:8]	1	2449
+[c:1]-[n:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1>>[N-:4]=[N+:5]=[N-:6].[C:3](-[O:9]-[C:10])(-[O:11]-[C:12])-[O:13]-[C:14].[c:1]-[N+:2](=[O:7])-[O-:8]	1	2450
+[c:1]-[n:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:[c:7]:1-[N:8]-[C:9](=[O:10])-[O:11]>>[C:4](-[C:5])(-[C:6]-[C:7]#[N:8])=[O:12].[C:9](=[O:10])(-[O:11])-[Cl:13].[c:1]-[N:2]-[N:3]	1	2451
+[c:1]-[n:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1-[N:7]>>[C:4](=[C:5](-[C:6]#[N:7])-[C:11](-[O:10]-[C:9]-[C:8])=[O:12])-[O:13]-[C:14]-[C:15].[c:1]-[N:2]-[N:3]	1	2452
+[c:1]:1(:[n:2]:[c:3](:[c:4](:[n:5]:1):[c:6]):[c:7])-[Cl:8]>>[Cl:8]-[P:9](-[Cl:10])(-[Cl:22])=[O:23].[N:2]-[c:3](:[c:4](-[N:5]):[c:6]):[c:7].[C:1](=[O:11])(-[n:12]:1:[c:13]:[n:14]:[c:15]:[c:16]:1)-[n:17]:2:[c:18]:[n:19]:[c:20]:[c:21]:2	1	2453
+[c:1]:1(:[n:2]:[c:3](:[c:4]):[c:6](:[c:5]):[c:7]:[c:8]:1)-[O:9]>>[N:2]-[c:3](:[c:4]):[c:6]:[c:5].[C:1](-[C:8]=[C:7]-[c:14]:1:[c:13]:[c:12]:[c:11]:[c:10]:[c:15]:1)(=[O:9])-[Cl:16]	1	2454
+[c:1]:1(:[n:2]:[c:3]:[c:4](-[C:5](-[N:6])=[O:7]):[c:8]:[n:9]:1)-[O:15]-[n:14](:[c:11](:[c:10]):[c:12]):[n:13]>>[c:1]:1(:[n:2]:[c:3]:[c:4](-[C:5](=[O:7])-[O:16]-[C:18]-[C:19]):[c:8]:[n:9]:1)-[Cl:17].[N:6].[c:10]:[c:11](:[c:12]):[n:14](:[n:13])-[O:15]	1	2455
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8])-[Cl:9]>>[C:1](-[c:6](:[c:5](-[N:4]):[c:8]):[c:7])(=[O:14])-[O:15].[Cl:9]-[P:10](=[O:11])(-[Cl:12])-[Cl:13].[N:2]-[C:3]=[O:16]	1	2456
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8])-[Cl:9]>>[Cl:9]-[P:11](=[O:12])(-[Cl:13])-[Cl:15].[N:2]-[C:3]=[O:10].[C:1](-[c:6](:[c:5](-[N+:4](=[O:17])-[O-:18]):[c:8]):[c:7])(=[O:14])-[O:16]	1	2457
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8])-[O:9]>>[N:2]-[C:3]=[O:10].[C:1](-[c:6](:[c:5](-[N+:4](=[O:12])-[O-:13]):[c:8]):[c:7])(=[O:9])-[O:11]	1	2458
+[c:1]:1-[C:2](=[O:3])-[N:4](-[C:5]-[C:7](-[N:6])=[O:8])-[C:9](=[O:10])-[c:11]:1>>[N:4]-[C:5]-[C:7](-[N:6])=[O:8].[c:1](-[C:2](=[O:3])-[O:12]-[C:14]):[c:11]-[C:9](=[O:10])-[O:13]	1	2459
+[c:1]:1-[C:2](=[O:3])-[N:4](-[c:5])-[C:6](=[O:7])-[c:8]:1>>[N+:4](-[c:5])(=[O:10])-[O-:11].[c:1]:1-[C:2](=[O:3])-[O:9]-[C:6](=[O:7])-[c:8]:1	1	2460
+[c:1]:1-[C:2]-[C:3]-[C:4](=[O:5])-[c:6]:1:[c:7]>>[c:1](-[C:2]=[C:3]-[C:4](=[O:5])-[O:8]):[c:6]:[c:7]	1	2461
+[c:1]:1-[N:2]-[C:3](=[O:4])-[C:5](=[O:6])-[N:7]-[c:8]:1>>[C:3](=[O:4])(-[C:5](=[O:6])-[O:11])-[O:12].[c:1](-[N+:2](=[O:9])-[O-:10]):[c:8]-[N:7]	1	2462
+[c:1]:1-[N:2]-[C:3](=[O:4])-[C:5](=[O:6])-[N:7]-[c:8]:1>>[c:1](-[N+:2](=[O:9])-[O-:10]):[c:8]-[N:7].[C:3](=[O:4])(-[C:5](=[O:6])-[O:11])-[O:12]	1	2463
+[c:1]:1:[c:2](-[C:3]#[N:4]):[c:5]:[n:6]:[c:7]:1>>[c:1]:1:[c:2]:[c:5]:[n:6]:[c:7]:1.[C:3](=[O:8])-[N:9](-[C:10])-[C:11].[N:4]	1	2464
+[c:1]:1:[c:2](-[C:3]-[C:4]-[C:5]):[s:6]:[c:7]:[c:8]:1>>[C:3]#[C:4]-[C:5].[c:1]:1:[c:2](:[s:6]:[c:7]:[c:8]:1)-[Br:9]	1	2465
+[c:1]:1:[c:2](-[C:3]-[O:4]):[c:5]:[n:6]:[o:7]:1>>[c:1]:1:[c:2](-[C:3](-[O:4]-[C:9]-[C:10])=[O:8]):[c:5]:[n:6]:[o:7]:1	2	2466,2467
+[c:1]:1:[c:2](-[C:3]=[C:4](-[C:5](=[O:6])-[N:7])-[c:8]):[n:9]:[c:10]:[c:11]:1>>[c:1]:1:[c:2]:[n:9]:[c:10]:[c:11]:1.[C:4](-[C:5](=[O:6])-[N:7])-[c:8].[C:3](=[O:12])-[N:13](-[C:14])-[C:15]	1	2468
+[c:1]:1:[c:2](-[N:3](-[C:4])-[C:5]):[n:6](-[c:7](:[c:8]):[c:9]):[c:10](:[c:11]):[c:12]:1>>[N:3](-[C:4])-[C:5].[c:1]:1:[c:2](:[n:6]:[c:10](:[c:11]):[c:12]:1)-[Cl:13].[c:7](:[c:8])(:[c:9])-[B:14](-[O:15])-[O:16]	1	2469
+[c:1]:1:[c:2](-[N:3](-[C:4])-[C:5]):[n:6]:[c:7]:[n:8]:[c:9]:1>>[N:3](-[C:4])-[C:5].[c:1]:1:[c:2](:[n:6]:[c:7]:[n:8]:[c:9]:1)-[O:10]	1	2470
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[o:6]:[c:7]:[c:8]:1>>[c:3](:[c:4])(:[c:5])-[B:9](-[O:10])-[O:11].[c:1]:1:[c:2]:[o:6]:[c:7]:[c:8]:1	1	2471
+[c:1]:1:[c:2](:[c:3]):[n:4](-[C:5]-[c:6]):[c:7]:2:[c:8]:1:[c:9](-[O:10]):[c:11]:[c:12]:[c:13]:2>>[c:1]:1:[c:2](:[c:3]):[n:4]:[c:7]-2:[c:8]:1-[C:9](=[O:10])-[C:11]-[C:12]-[C:13]-2.[C:5](-[c:6])-[Br:14]	1	2472
+[c:1]:1:[c:2](:[c:3]):[n:6](:[c:5]:[c:4]):[c:7]:[n:8]:1>>[C:1](-[c:2](:[c:3]):[n:6]:[c:5]:[c:4])-[N:8].[C:7](=[O:9])-[O:10]	1	2473
+[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[N:7]-[C:8]>>[N:7]-[C:8].[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[O:9]	2	2474,2475
+[c:1]:1:[c:2]:2:[c:3]:[c:4]:[n:5]:[c:6]:2:[c:7]:[n:8]:[c:9]:1>>[C:4](-[N:11](-[C:10])-[C:12])=[O:15].[c:1]:1:[c:2](-[C:3]):[c:6](-[N+:5](=[O:13])-[O-:14]):[c:7]:[n:8]:[c:9]:1	1	2476
+[c:1]:1:[c:2]:[c:3](-[C:4]-[C:5]):[c:6]:[n:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:6]:[n:7]:1.[C:4](-[C:5])(=[O:8])-[Cl:9]	1	2477
+[c:1]:1:[c:2]:[c:3](-[C:4]-[N:5](-[C:6])-[C:7]):[c:8]:[n:9]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[c:2]:[c:3]:[c:8]:[n:9]:1.[C:4](=[O:10])-[N:11](-[C:12])-[C:13]	1	2478
+[c:1]:1:[c:2]:[c:3](-[N:4](-[C:5])-[C:6]):[n:7]:[c:8]:[n:9]:1>>[N:4](-[C:5])-[C:6].[c:1]:1:[c:2]:[c:3](:[n:7]:[c:8]:[n:9]:1)-[O:10]	1	2479
+[c:1]:1:[c:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[n:8]:1>>[N:4]-[C:5].[c:1]:1:[c:2]:[c:3](:[n:6]:[c:7]:[n:8]:1)-[O:9]	1	2480
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[n:7]:[n:8]:[c:9]:2>>[N:8](=[O:12])-[O:13].[c:1]:1:[c:2]:[c:3](:[c:4](:[c:5]:[n:6]:1)-[N+:7](=[O:10])-[O-:11])-[C:9]	1	2481
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[n:5]:[c:6](-[C:7]):[n:8]:2-[c:9]):[c:10]:[n:11]:1>>[C:6](-[C:7])(-[O:14]-[C:15](-[C:16])=[O:17])=[O:18].[c:1]:1:[c:2]:[c:3](:[c:4](-[N+:5](=[O:12])-[O-:13]):[c:10]:[n:11]:1)-[N:8]-[c:9]	1	2482
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5](=[O:6])-[N:7]-[C:8]):[n:9]:1>>[C:5](=[O:6])(-[C:11](-[Cl:10])(-[Cl:12])-[Cl:13])-[Cl:14].[N:7]-[C:8].[c:1]:1:[c:2]:[c:3]:[c:4]:[n:9]:1	1	2483
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[s:8]:1.[C:5](=[O:6])-[N:9](-[C:10])-[C:11].[O:7]	1	2484
+[c:1]:1:[c:2]:[c:3]:[c:4](-[S:5](=[O:6])(=[O:7])-[N:8](-[C:9])-[C:10]):[s:11]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[s:11]:1.[S:5](=[O:6])(=[O:7])(-[Cl:12])-[O:13].[N:8](-[C:9])-[C:10]	1	2485
+[c:1]:1:[c:2]:[c:3]:[c:4](-[S:5](=[O:6])(=[O:7])-[N:8]):[s:9]:1>>[N:8].[S:5](=[O:6])(=[O:7])(-[Cl:10])-[Cl:11].[c:1]:1:[c:2]:[c:3]:[c:4]:[s:9]:1	1	2486
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:8]:1.[c:5](:[c:6])(:[c:7])-[B:9](-[O:10])-[O:11]	1	2487
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[N:7]):[s:8]:[c:9]:2:[n:10]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](-[N+:7](=[O:11])-[O-:12]):[c:9]:[n:10]:1.[N:5]#[C:6]-[S:8]	1	2488
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[N:7]-[C:8](=[O:9])-[C:10]):[s:11]:[c:12]:2:[n:13]:1>>[C:8](=[O:9])(-[C:10])-[Cl:14].[c:1]:1:[c:2]:[c:3]:[c:4](-[N:7]):[c:12]:[n:13]:1.[N:5]#[C:6]-[S:11]	1	2489
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[N:7]-[C:8](=[O:9])-[C:10]):[s:11]:[c:12]:2:[n:13]:1>>[C:8](=[O:9])(-[C:10])-[Cl:16].[c:1]:1:[c:2]:[c:3]:[c:4](-[N+:7](=[O:14])-[O-:15]):[c:12]:[n:13]:1.[N:5]#[C:6]-[S:11]	1	2490
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6]):[n:7]:1>>[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:7]:1)-[S:9]-[C:8].[N:6]	1	2491
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:1>>[N:6]-[C:7].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:8]:1)-[S:9]-[C:10]	1	2492
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:2:[c:6](-[C:7]):[n:8]:[n:9]:[c:10]:1:2>>[C:6](-[C:7])(=[O:11])-[O:12].[c:1]:1:[c:2]:[c:3]:[n:9]:[n:5]:[c:10]:1-[N:4]-[N:8]	1	2493
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5])-[C:6]):[n:7]:[c:8]:1>>[C:4](-[C:5])(-[C:6])-[O:9].[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1	1	2494
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5])-[C:6]):[n:7]:[c:8]:1>>[C:4](-[C:5])(-[C:6])=[O:9].[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1	1	2495
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5]-[C:6]#[N:7])(-[C:8])-[C:9]):[n:10]:[c:11]:1>>[C:4](-[C:8])(-[C:9])=[O:12].[c:1]:1:[c:2]:[n:3]:[n:10]:[c:11]:1.[C:5](-[C:6]#[N:7])-[P:13](-[O:14]-[C:15]-[C:16])(=[O:17])-[O:18]-[C:19]-[C:20]	1	2496
+[c:1]:1:[c:2]:[n:3](-[C:4]-[c:5]):[c:6](:[c:7]):[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:6](:[c:7]):[c:8]:1.[C:4]-[c:5]	1	2497
+[c:1]:1:[c:2]:[n:3](-[C:4]-[c:5]):[n:6]:[c:7]:1>>[C:4](-[c:5])-[O:8].[c:1]:1:[c:2]:[n:3]:[n:6]:[c:7]:1	1	2498
+[c:1]:1:[c:2]:[n:3](-[c:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:2):[c:10]:[n:11]:1>>[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[O:12].[c:1]:1:[c:2]:[n:3]:[c:10]:[n:11]:1	1	2499
+[c:1]:1:[c:2]:[n:3]:[c:4](-[C:5]=[C:6](-[C:7](=[O:8])-[N:9])-[c:10]):[c:11]:1>>[C:6](-[C:7](=[O:8])-[N:9])-[c:10].[C:5](=[O:12])-[N:13](-[C:14])-[C:15].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:11]:1	1	2500
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[s:8]:1>>[N:5](-[C:6])(-[C:7])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:1]:1:[c:2]:[n:3]:[c:4](:[s:8]:1)-[Br:9]	1	2501
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]):[n:7]:[c:8]:1>>[N:5]-[C:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[S:10]-[C:9]	1	2502
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[Cl:9].[N+:5](-[c:6])(=[O:10])-[O-:11]	1	2503
+[c:1]:1:[c:2]:[n:3]:[c:4]-2:[c:5](:[n:6]:1)-[C:7]-[C:8]-[C:9]-[N:10]-2-[C:11]-[C:12]>>[C:11](-[C:12])=[O:13].[c:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5](:[n:6]:1):[c:7]:[c:8]:[c:9]:[n:10]:2	2	2504,2505
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[N:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[Cl:10].[N+:7](-[c:8])(=[O:9])-[O-:11]	1	2506
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[N:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[Cl:9].[N+:7](-[c:8])(=[O:10])-[O-:11]	1	2507
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7](-[C:8])-[C:9]>>[N:7](-[C:8])(-[C:9])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:10]	1	2508
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[C:8]>>[N:7]-[C:8].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:9]	1	2509
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[c:8](:[c:9]):[n:10]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:11].[N:7]-[c:8](:[c:9]):[n:10]	1	2510
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:9].[N:7]-[c:8]	2	2511,2512
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:9].[O:7]-[c:8]	1	2513
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:7]:1-[N:6]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:7]:1-[Cl:10].[N-:6]=[N+:9]=[N-:8]	1	2514
+[c:1]:1:[c:2]:[s:3]:[c:4]:2:[c:5]:1:[c:6](-[N:7]-[c:8]):[n:9]:[c:10]:[n:11]:2>>[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1-[C:6](=[O:12])-[O:13]-[C:14]-[C:15])-[N:11].[N:7]-[c:8].[N:9]-[C:10]=[O:16]	1	2515
+[c:1]:1:[c:2]:[s:3]:[c:4]:2:[c:5]:1:[c:6](:[n:7]:[c:8]:[n:9]:2)-[Cl:10]>>[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1-[C:6](=[O:15])-[O:16]-[C:17]-[C:18])-[N:9].[Cl:10]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[N:7]-[C:8]=[O:19]	1	2516
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[N:4](-[C:5])=[N+:10]=[N-:11].[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	1	2517
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[N:4]-[C:5].[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10]-[C:9]	2	2518,2519
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10]-[C:9].[N:4]-[C:5]	1	2520
+[c:1]:1:[n:2]:[c:3](-[N:4]-[c:5]):[n:6]:[c:7]:[c:8]:1>>[N+:4](-[c:5])(=[O:10])-[O-:11].[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	2	2521,2522
+[c:1]:1:[n:2]:[c:3](-[N:4]-[c:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[Cl:9].[N+:4](-[c:5])(=[O:10])-[O-:11]	1	2523
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5](-[c:6])-[C:7](-[F:8])(-[F:9])-[F:10]):[c:11]:[c:12]:[n:13]:1>>[C:7](-[F:8])(-[F:9])(-[F:10])-[Si:15](-[C:16])(-[C:17])-[C:18].[O:4]=[C:5]-[c:6].[c:1]:1:[n:2]:[c:3](:[c:11]:[c:12]:[n:13]:1)-[Cl:14]	1	2524
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5]):[c:6]:[c:7]:[n:8]:1>>[c:1]:1:[n:2]:[c:3](:[c:6]:[c:7]:[n:8]:1)-[O:9].[O:4]-[C:5]	1	2525
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10]-[C:9].[O:4]-[C:5]	1	2526
+[c:1]:1:[n:2]:[c:3](-[O:4]-[n:5](:[n:6]):[c:8](:[c:7]):[c:9]):[n:10]:[c:11]:[c:12]:1-[C:13](-[N:14])=[O:15]>>[c:1]:1:[n:2]:[c:3](:[n:10]:[c:11]:[c:12]:1-[C:13](=[O:15])-[O:16]-[C:18]-[C:19])-[Cl:17].[N:14].[O:4]-[n:5](:[n:6]):[c:8](:[c:7]):[c:9]	1	2527
+[c:1]:1:[n:2]:[c:3](-[n:4]:2:[c:5]:[n:6]:[c:7]:[c:8]:2):[n:9]:[c:10]:[c:11]:1>>[c:1]:1:[n:2]:[c:3](:[n:9]:[c:10]:[c:11]:1)-[O:12].[n:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1	1	2528
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6](:[c:7]):[c:8])-[C:9]):[c:10]:1>>[C:5](-[C:9])(=[O:11])-[N:12](-[O:13]-[C:14])-[C:15].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:10]:1.[c:6](:[c:7])(:[c:8])-[Br:16]	1	2529
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6](:[c:7]):[c:8])-[C:9]):[c:10]:1>>[C:5](-[C:9])(=[O:11])-[O:13]-[C:14]-[C:15].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:10]:1.[c:6](:[c:7])(:[c:8])-[Br:12]	1	2530
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6])-[C:7]):[c:8]:1>>[C:5](-[c:6])(-[C:7])=[O:9].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:8]:1	1	2531
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[c:9]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[n:8]:[c:9]:1)-[Br:10].[c:5](:[c:6])(:[c:7])-[Br:11]	1	2532
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[c:9]:1>>[c:5](:[c:6])(:[c:7])-[B:10](-[O:11])-[O:12].[c:1]:1:[n:2]:[c:3]:[c:4]:[n+:8](:[c:9]:1)-[O-:13]	1	2533
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[c:9]:1>>[c:5](:[c:6])(:[c:7])-[B:12](-[O:13])-[O:14].[c:1]:1:[n:2]:[c:3]:[c:4](:[n+:8](:[c:9]:1)-[O-:11])-[Cl:10]	1	2534
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[s:8]:1>>[c:5](:[c:6])(:[c:7])-[B:9]-1-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14](-[O:15]-1)(-[C:16])-[C:17].[c:1]:1:[n:2]:[c:3]:[c:4]:[s:8]:1	1	2535
+[c:1]:1:[n:2]:[c:3]:[c:4](:[n:5]:[c:6]:1)-[Cl:7]>>[Cl:7]-[P:9](=[O:10])(-[Cl:11])-[Cl:12].[c:1]:1:[n:2]:[c:3]:[c:4]:[n+:5](:[c:6]:1)-[O-:8]	1	2536
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[Cl:6]):[c:7]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:7]:1)-[O:12]-[C:13].[Cl:6]-[P:9](-[Cl:8])(=[O:10])-[Cl:11]	1	2537
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6](-[C:7])-[C:8]):[c:9]:1>>[N:6](-[C:7])-[C:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[O:10]	2	2538,2539
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6](-[C:7])-[C:8]):[n:9]:1>>[N:6](-[C:7])-[C:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:9]:1)-[O:10]	2	2540,2541
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]):[c:7]:1>>[N-:6]=[N+:9]=[N-:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:7]:1)-[Cl:10]	1	2542
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]-[N:7]=[C:8](-[C:9])-[c:10]):[n:11]:1>>[N:6]-[N:7].[C:8](-[C:9])(-[c:10])=[O:13].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:11]:1)-[Cl:12]	1	2543
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]-[c:7]):[c:8]:1>>[N+:6](-[c:7])(=[O:10])-[O-:11].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[Cl:9]	1	2544
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[c:8]:1>>[O:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[O:9]	1	2545
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[n:8]:1>>[O:6](-[c:7])-[C:10].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:8]:1)-[Cl:9]	1	2546
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[n:8]:1>>[O:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:8]:1)-[O:9]	1	2547
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:6]:1)-[Cl:7]>>[Cl:7]-[P:8](=[O:9])(-[Cl:10])-[Cl:11].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:6]:1)-[O:12]-[C:13]	1	2548
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:[n:6]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:6]:1)-[O:7]	1	2549
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[C:7]>>[C:6](-[C:7])-[O:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1	1	2550
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[C:7]>>[C:6](-[C:7])=[O:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1	1	2551
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[c:7]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1.[C:6]-[c:7]	1	2552
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[C:6]-[N:7]):[c:8]:1>>[C:6]#[N:7].[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[Cl:9]	1	2553
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[c:8]:1>>[N:6](-[C:7])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[Cl:9]	1	2554
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[N:6]-[c:7]):[c:8]:1>>[N:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[O:9]	1	2555
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[N:6]-[c:7]):[c:8]:1>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[Cl:9].[N+:6](-[c:7])(=[O:10])-[O-:11]	1	2556
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[S:6]-[c:7]):[c:8]:1>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[O:9].[S:6]-[c:7]	1	2557
+[c:1]:1:[n:2]:[n:3](-[C:4]-[c:5]):[c:6]:[c:7]:1>>[c:1]:1:[n:2]:[n:3]:[c:6]:[c:7]:1.[C:4](-[c:5])-[O:8]	1	2558
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:1):[c:6]:[c:7](-[c:8]):[n:9]:[c:10]:2-[N:11]-[C:12]>>[N:11]-[C:12].[c:1]:1:[n:2]:[n:3]-2:[c:4](:[n:5]:1)-[C:6]=[C:7](-[c:8])-[N:9]-[C:10]-2=[O:13]	1	2559
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:[n:6]:[c:7]:2-[C:8]):[c:9]:[c:10]:1>>[C:7](-[C:8])(=[O:11])-[O:13]-[C:14].[N:5]-[N:6].[c:1]:1:[n:2]:[n:3]:[c:4](:[c:9]:[c:10]:1)-[Cl:12]	1	2560
+[c:1]:1:[n:2]:[n:3]:2:[c:4]:[c:5](-[c:6]):[n:7]:[c:8]:2:[c:9]:[c:10]:1>>[C:4]-[C:5](-[c:6])=[O:11].[c:1]:1:[n:2]:[n:3]:[c:8](-[N:7]):[c:9]:[c:10]:1	1	2561
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+[c:1]:[c:12]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6](-[c:7](:[c:8]):[c:9]):[n:10]:[c:11]:1>>[c:1]:[c:12]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6]:[n:10]:[c:11]:1.[c:7](:[c:8])(:[c:9])-[B:13](-[O:14])-[O:15]	1	2563
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[B:3](-[O:4]-[C:8])(-[O:5]-[C:7])-[O:9]-[C:10].[c:1]:[c:2]:[c:6]	1	2564
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[B:3]-1(-[O:4]-[C:8](-[C:7])(-[C:9])-[C:10](-[O:5]-1)(-[C:11])-[C:12])-[B:13]-2-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18](-[O:19]-2)(-[C:20])-[C:21].[c:1]:[c:2](:[c:6])-[Br:22]	1	2565
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+[c:1]:[c:2](-[C:3]#[C:4]):[c:5]>>[C:3](#[C:4])-[Si:7](-[C:8])(-[C:9])-[C:10].[c:1]:[c:2](:[c:5])-[I:6]	3	2568,2569,2570
+[c:1]:[c:2](-[C:3]#[C:4]-[Si:7](-[C:6])(-[C:8])-[C:9]):[c:5]>>[C:3]#[C:4]-[Si:7](-[C:6])(-[C:8])-[C:9].[c:1]:[c:2]:[c:5]	1	2571
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+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[c:1]:[c:2]:[c:5].[C-:3](#[N:4])~[Cu+:6]	1	2573
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]>>[N:4].[c:1]:[c:2](-[C:3](=[O:6])-[O:7]):[n:5]	2	2574,2575
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]>>[c:1]:[c:2](-[C:3](=[O:6])-[O:7]):[n:5].[N:4]	1	2576
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]>>[c:1]:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[n:5].[N:4]	2	2577,2578
+[c:1]:[c:2](-[C:3](-[C:4](-[C:5])-[Br:8])=[O:7]):[c:6]>>[Br:8].[C:3](-[C:4]-[C:5])(=[O:7])-[Cl:9].[c:1]:[c:2]:[c:6]	1	2579
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+[c:1]:[c:2](-[C:3](-[C:4])-[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:8].[C:3](-[C:4])(-[c:5])=[O:7]	1	2581
+[c:1]:[c:2](-[C:3](-[N:4])=[N:5]-[O:6]):[c:7]>>[C-:3](#[N:4])~[Cu+:8].[N:5]-[O:6].[c:1]:[c:2](:[c:7])-[Br:9]	1	2582
+[c:1]:[c:2](-[C:3](-[N:4])=[O:6]):[n:5]>>[c:1]:[c:2](-[C:3](=[O:6])-[O:7]):[n:5].[N:4]	1	2583
+[c:1]:[c:2](-[C:3](-[O:4])(-[C:5])-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[C:3](-[O:4])(-[C:5])-[C:6]	1	2584
+[c:1]:[c:2](-[C:3](-[O:4])-[C:5]#[C:6]):[c:7]>>[C:3](=[O:4])-[N:8](-[C:9])-[C:10].[c:1]:[c:2](:[c:7])-[Br:11].[C:5](#[C:6])-[Mg:12]-[Br:13]	1	2585
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+[c:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[O:7]):[n:8]>>[N:5](-[C:6])-[O:7].[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]):[n:8]	1	2596
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5](-[O:6])-[C:7]):[n:8]>>[N:5](-[O:6])-[C:7].[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]):[n:8]	1	2597
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[c:1]:[c:2](:[c:7])-[Br:8].[C:3](=[O:4])-[N:9](-[C:10])-[C:11]	1	2598
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]>>[N:5]-[C:6].[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[n:7]	2	2599,2600
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+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-[C:8](-[N:7])=[O:9]):[n:10]>>[N:5]-[C:6]-[C:8](-[N:7])=[O:9].[c:1]:[c:2](-[C:3](=[O:4])-[O:11]-[C:12]-[C:13]):[n:10]	1	2603
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+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[n:7]>>[N:5]-[c:6].[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]-[C:10]):[n:7]	1	2605
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[n:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]-[C:10]):[n:7].[N:5]-[c:6]	1	2606
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[o:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[o:7].[N:5]-[c:6]	1	2607
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]):[c:6]>>[C:3]=[O:4].[O:5]-[C:7].[c:1]:[c:2](:[c:6])-[Br:8]	1	2608
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]):[c:6]>>[O:5]-[C:7].[c:1]:[c:2](:[c:6])-[Br:8].[C:3](=[O:4])-[N:9](-[C:10])-[C:11]	1	2609
+[c:1]:[c:2](-[C:3](=[O:4])-[O:6]):[c:5]>>[C:3]=[O:4].[c:1]:[c:2](:[c:5])-[Br:8].[O:6]-[C:7]	1	2610
+[c:1]:[c:2](-[C:3](=[O:4])-[O:6]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:8].[O:6]-[C:7].[C:3](=[O:4])-[N:9](-[C:10])-[C:11]	1	2611
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8]):[c:9]>>[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8].[c:1]:[c:2](:[c:9])-[Br:10]	1	2612
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])(-[c:5])-[O:7].[c:1]:[c:2]:[c:6]	1	2613
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])(-[c:5])-[O:8].[c:1]:[c:2](:[c:6])-[Br:7]	1	2614
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])-[c:5].[c:1]:[c:2](:[c:6])-[Br:7]	2	2615,2616
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])-[c:5].[c:1]:[c:2]:[c:6]	1	2617
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[C:3](=[O:4])-[c:5]	1	2618
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]:[c:7]:[n:6]):[c:8]>>[C:3](=[O:4])(-[c:5]:[c:7]:[n:6])-[O:10].[c:1]:[c:2](:[c:8])-[Br:9]	1	2619
+[c:1]:[c:2](-[C:3]-1-[C:4]-[O:5]-1):[c:6]>>[O:5]-[O:12]-[C:13](=[O:14])-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19](-[Cl:20]):[c:21]:1.[C:3](=[C:4])-[B-:7](-[F:8])(-[F:9])-[F:10].[c:1]:[c:2](:[c:6])-[Br:11]	1	2620
+[c:1]:[c:2](-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:7](-[C:8])-[C:9]=[C:10]-1):[c:11]>>[C:8]-[I:22].[c:1]:[c:2](:[c:11])-[B:12]-1-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17](-[O:18]-1)(-[C:19])-[C:20].[c:3]:1(:[c:4]:[c:5](-[O:6]):[n:7]:[c:9]:[c:10]:1)-[I:21]	1	2621
+[c:1]:[c:2](-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-1):[c:10]>>[C:3]-1(=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-1)-[I:12].[c:1]:[c:2](:[c:10])-[Br:11]	1	2622
+[c:1]:[c:2](-[C:3]-[C:4](-[C:5])=[C:6]):[c:7]>>[C:3](-[C:4](-[C:5])=[C:6])-[Cl:8].[c:1]:[c:2]:[c:7]	1	2623
+[c:1]:[c:2](-[C:3]-[C:4](=[O:6])-[O:7]):[c:5]>>[C:3](-[C:4](=[O:6])-[O:7])-[C:11](-[O:10]-[C:9]-[C:8])=[O:12].[c:1]:[c:2](:[c:5])-[F:13]	1	2624
+[c:1]:[c:2](-[C:3]-[C:4]):[c:5]>>[C:3](-[C:4])(=[O:6])-[O:7].[c:1]:[c:2]:[c:5]	1	2625
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5](=[O:6])-[c:7]):[c:8]>>[C:3]=[C:4]-[Mg:10]-[Br:11].[c:1]:[c:2](:[c:8])-[I:9].[C:5](=[O:6])-[c:7]	1	2626
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5](=[O:7])-[O:8]):[n:6]>>[c:1]:[c:2](-[C:3]=[O:9]):[n:6].[C:4](-[C:5](=[O:7])-[O:8])=[P:10](-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)(-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2)-[c:23]:3:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:3	1	2627
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5]):[c:6]>>[C:3]#[C:4]-[C:5].[c:1]:[c:2](:[c:6])-[Br:7]	3	2628,2629,2630
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+[c:1]:[c:2](-[C:3]-[C:4]-[C:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[I:7].[C:3]#[C:4]-[C:5]	2	2633,2634
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+[c:1]:[c:2](-[C:3]-[Cl:5]):[n:4]>>[c:1]:[c:2](-[C:3]-[O:9]-[C:10](-[C:11])=[O:12]):[n:4].[Cl:5]-[S:7](-[Cl:6])=[O:8]	1	2637
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[C:3](=[O:8])-[N:9](-[C:10])-[C:11].[c:1]:[c:2](:[c:7])-[Br:12]	1	2638
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[c:1]:[c:2]:[c:7].[C:3](=[O:8])-[N:9](-[C:10])-[C:11]	1	2639
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]>>[N:4](-[C:5])-[C:6].[c:1]:[c:2](-[C:3]-[O:8]):[n:7]	1	2640
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+[c:1]:[c:2](-[C:3]-[N:4]):[n:5]>>[N-:4]=[N+:7]=[N-:6].[c:1]:[c:2](-[C:3]-[Br:8]):[n:5]	1	2642
+[c:1]:[c:2](-[C:3]-[N:4]-[C:5]):[c:6]>>[N:4]-[C:5].[C:3](=[O:7])-[N:8](-[C:9])-[C:10].[c:1]:[c:2](:[c:6])-[Br:11]	1	2643
+[c:1]:[c:2](-[C:3]-[N:4]-[C:5]):[c:6]>>[N:4]-[C:5].[c:1]:[c:2](:[c:6])-[Br:8].[C:3](=[O:7])-[N:9](-[C:10])-[C:11]	1	2644
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+[c:1]:[c:2](-[C:3]-[O:4]):[n:5]>>[O:4]=[Se:6]=[O:7].[c:1]:[c:2](-[C:3]):[n:5]	3	2646,2647,2648
+[c:1]:[c:2](-[C:3]-[O:4]-[C:5](-[C:6])=[O:7]):[n:8]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[n:8].[C:5](-[C:6])(=[O:7])-[Cl:12]	1	2649
+[c:1]:[c:2](-[C:3]-[O:4]-[C:5]):[c:6]>>[C:3]=[O:7].[O:4]-[C:5].[c:1]:[c:2]:[c:6]	2	2650,2651
+[c:1]:[c:2](-[C:3]-[O:5]):[c:4]>>[C:3](=[O:5])-[N:6](-[C:7])-[C:8].[c:1]:[c:2](:[c:4])-[Br:9]	1	2652
+[c:1]:[c:2](-[C:3]-[O:5]):[n:4]>>[O:5]=[Se:6]=[O:7].[c:1]:[c:2](-[C:3]):[n:4]	1	2653
+[c:1]:[c:2](-[C:3]-[S:4]-[c:5]:1:[n:6]:[c:7](:[c:8](:[c:9]):[n:11]:1):[c:10]):[n:12]>>[c:1]:[c:2](-[C:3]-[O:13]):[n:12].[S:4]=[C:5]-1-[N:6]-[c:7](:[c:8](:[c:9])-[N:11]-1):[c:10]	1	2654
+[c:1]:[c:2](-[C:3]-[S:4]-[c:5]:1:[n:6]:[c:7](:[c:8](:[c:9]):[n:11]:1):[c:10]):[n:12]>>[c:1]:[c:2](-[C:3]-[O:13]-[C:14](-[C:15])=[O:16]):[n:12].[S:4]=[C:5]-1-[N:6]-[c:7](:[c:8](:[c:9])-[N:11]-1):[c:10]	1	2655
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+[c:1]:[c:2](-[C:3]-[c:4]):[c:5]>>[C:3](-[c:4])(=[O:6])-[O:7].[c:1]:[c:2]:[c:5]	1	2657
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+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5](-[C:6]):[n:7]:[n:8]:1):[n:9]>>[c:1]:[c:2](-[C:3]#[C:4]-[Si:10](-[C:11])(-[C:12])-[C:13]):[n:9].[N:5](-[C:6])=[N+:7]=[N-:8]	1	2782
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+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[B:9]-1-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14](-[O:15]-1)(-[C:16])-[C:17].[c:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1	1	2784
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]):[n:10]>>[c:1]:[c:2](-[C:3](=[O:11])-[O:12]-[C:13]-[C:14]):[n:10].[N:4]-[c:5](:[c:6](:[c:7])-[N:9]):[c:8]	1	2785
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[c:8]:[n:9]:1):[c:10]:[n:11]>>[c:1]:[c:2](:[c:10]:[n:11])-[Br:12].[c:3]:1(:[n:4]:[c:5](:[c:6]):[c:7]:[c:8]:[n:9]:1)-[Cl:13]	1	2786
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:[c:9]:1):[c:10]>>[c:3]:1(:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:[c:9]:1)-[O:14].[c:1]:[c:2](:[c:10])-[B:11](-[O:12])-[O:13]	1	2787
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Br:10].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	3	2788,2789,2790
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[I:10].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	1	2791
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[s:7]:1):[c:8]>>[c:3]:1(:[n:4]:[n:5]:[c:6]:[s:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[Br:10]	1	2792
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4](-[B:5](-[O:6])-[O:10]-[C:11](-[C:12])-[C:13])-[C:7](-[C:8])-[C:9].[c:1]:[c:2](:[c:3])-[Br:14]	1	2793
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4](-[B:5](-[O:6])-[O:8]-[C:9])-[C:7].[c:1]:[c:2](:[c:3])-[Br:10]	1	2794
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-1-[B:5](-[O:6]-[C:8]-[C:9](-[C:10]-1)(-[C:11])-[C:12])-[B:13]-2-[O:14]-[C:15]-[C:16](-[C:17])(-[C:18])-[C:19]-[O:20]-2.[c:1]:[c:2](:[c:3])-[Br:7]	1	2795
+[c:1]:[c:2](:[c:3])-[Br:4]>>[Br:4].[c:1]:[c:2](:[c:3])-[N+:5](=[O:6])-[O-:7]	2	2796,2797
+[c:1]:[c:2](:[c:3])-[C:5](-[N:4])-[c:6]>>[c:1]:[c:2]:[c:3].[N:4]-[C:5](-[c:6])=[O:7]	1	2798
+[c:1]:[c:2](:[c:3])-[C:6](-[N:5]-[C:4])-[c:7]>>[c:1]:[c:2]:[c:3].[C:4]-[N:5].[C:6](-[c:7])(=[O:8])-[Cl:9]	1	2799
+[c:1]:[c:2](:[c:3])-[C:6](=[N:5]-[C:4])-[c:7]>>[c:1]:[c:2]:[c:3].[C:4]-[N:5].[C:6](-[c:7])(=[O:8])-[Cl:9]	1	2800
+[c:1]:[c:2](:[c:3])-[C:6]-[C:5]=[C:4]>>[C:4]=[C:5]-[C:6]-[Br:7].[c:1]:[c:2]:[c:3]	1	2801
+[c:1]:[c:2](:[c:3])-[I:4]>>[c:1]:[c:2](:[c:3])-[N+:5](=[O:6])-[O-:7].[I:4]	1	2802
+[c:1]:[c:2](:[c:3])-[N:4]>>[N+:4](-[O-:5])(=[O:6])-[O:7].[c:1]:[c:2]:[c:3]	2	2803,2804
+[c:1]:[c:2](:[c:3])-[N:4]>>[N+:4](=[O:5])(-[O-:6])-[O:7].[c:1]:[c:2]:[c:3]	2	2805,2806
+[c:1]:[c:2](:[c:3])-[N:4]>>[c:1]:[c:2]:[c:3].[N+:4](-[O-:5])(=[O:6])-[O:7]	1	2807
+[c:1]:[c:2](:[c:3])-[N:4]>>[c:1]:[c:2]:[c:3].[N+:4](-[O:5])(-[O-:6])=[O:7]	1	2808
+[c:1]:[c:2](:[n:3]:[c:4](-[Cl:5]):[c:6]):[c:7]>>[Cl:5]-[P:8](=[O:9])(-[Cl:10])-[Cl:11].[c:1]:[c:2](:[n+:3](:[c:4]:[c:6])-[O-:12]):[c:7]	1	2809
+[c:1]:[c:2](:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[c:8]):[c:9]>>[N:5](-[C:6])-[C:7].[c:1]:[c:2](:[n:3]:[c:4](:[c:8])-[O:10]):[c:9]	1	2810
+[c:1]:[c:2](:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]):[c:9]>>[c:1]:[c:2](:[n:3]:[c:4](:[c:8])-[Cl:10]):[c:9].[c:5](:[c:6])(:[c:7])-[Br:11]	1	2811
+[c:1]:[c:2](:[n:3]:[c:4](:[c:5])-[Cl:7]):[c:6]>>[Cl:7]-[P:9](-[Cl:10])(-[Cl:11])=[O:12].[c:1]:[c:2](:[n+:3](:[c:4]:[c:5])-[O-:8]):[c:6]	2	2812,2813
+[c:1]:[c:2](:[n:3]:[c:4](:[c:5])-[O:7]):[c:6]>>[O:7]=[C:9](-[C:10])-[O:11]-[C:12](-[C:13])=[O:14].[c:1]:[c:2](:[n+:3](:[c:4]:[c:5])-[O-:8]):[c:6]	1	2814
+[c:1]:[c:2]-1:[c:3]-[N:4]-[C:5](=[O:6])-[C:7]-[C:8]-1(-[C:9])-[C:10]>>[C:5](=[O:6])(-[C:7]=[C:8](-[C:9])-[C:10])-[Cl:11].[c:1]:[c:2]:[c:3]-[N:4]	1	2815
+[c:1]:[c:2]:1-[C:3](=[O:5])-[C:8](=[O:4])-[N:7]-[c:6]:1>>[C:3](-[O:4])(-[C:8](-[Cl:10])(-[Cl:11])-[Cl:12])-[O:13].[c:1]:[c:2]:[c:6]-[N:7].[O:5]-[N:9]	1	2816
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[O:6]):[n:7]:[n:8]:[c:9]:1-[c:10]>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5](=[O:6])-[O:12])-[Br:13].[N:7]-[N:8].[C:9](-[c:10])(=[O:11])-[N:14](-[O:15]-[C:16])-[C:17]	1	2817
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5]:[n:6]:[n:7]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5])-[N+:7](=[O:8])-[O-:9].[N:6](=[O:10])-[O:11]	1	2818
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]):[n:13]:[c:14]:1-[N:15]>>[C:6](=[O:7])(-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])-[O:17]-[C:18](-[O:19]-[C:20](-[C:21])(-[C:22])-[C:23])=[O:24].[c:1]:[c:2](:[c:3](:[c:4])-[F:16])-[C:14]#[N:15].[N:5]-[N:13]	1	2819
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6]):[c:7](-[c:8]):[n:9]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5]-[C:6])-[N+:9](=[O:10])-[O-:11].[C:7](-[c:8])=[O:12]	1	2820
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[C:7]):[n:8]:1-[C:9]-[C:10]>>[C:9](-[C:10])=[O:12].[c:1]:[c:2](:[c:3](:[c:4])-[N:5]-[C:6](-[C:7])=[O:11])-[N:8]	1	2821
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[S:7]-[C:8]-[c:9](:[n:10]):[c:11]):[n:12]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N:12].[C:8](-[c:9](:[n:10]):[c:11])-[Cl:14].[C:6](=[S:7])=[S:13]	1	2822
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[n:7]:[c:8]:1-[Cl:9]>>[c:1]:[c:2]-1:[c:3](:[c:4])-[N:5]=[C:6]-[N:7](-[C:8]-1=[O:14])-[C:15]-[O:16]-[C:17](-[C:18](-[C:19])(-[C:20])-[C:21])=[O:22].[Cl:9]-[P:11](-[Cl:10])(=[O:12])-[Cl:13]	1	2823
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[n:7]:[c:8]:1-[N:9]-[c:10](:[c:11]):[n:12]>>[c:1]:[c:2]-1:[c:3](:[c:4])-[N:5]=[C:6]-[N:7](-[C:8]-1=[O:13])-[C:14]-[O:15]-[C:16](-[C:17](-[C:18])(-[C:19])-[C:20])=[O:21].[N:9]-[c:10](:[c:11]):[n:12]	1	2824
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[C:7](=[O:8])-[O:10]):[c:9]:1>>[C:6](-[C:7](=[O:8])-[O:10])-[Br:12].[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[C:9]=[O:11]	1	2825
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[C:7]):[n:8]:1>>[O:5]=[C:6](-[C:7])-[O:10].[c:1]:[c:2](:[c:3](:[c:4])-[O:9])-[N:8]	1	2826
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[c:7]):[n:8]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[N:8].[C:6](-[c:7])(=[O:9])-[O:10]	1	2827
+[c:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:1-[C:8]-[c:9]>>[c:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:1-[S:10](=[O:11])(=[O:12])-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2.[C:8](-[c:9])-[Br:19]	1	2828
+[c:1]:[c:2]:1:[c:3](:[s:4]:[c:5](-[c:6]):[n:7]:1):[c:8]>>[C:5](-[c:6])(=[O:30])-[Cl:31].[c:1]:[c:2](:[c:3]:[c:8])-[N:7].[S:4]=[P:10]-1(-[S:11]-[P:12](-[c:13]:2:[c:14]:[c:15]:[c:16](-[O:17]-[C:18]):[c:19]:[c:20]:2)(=[S:21])-[S:22]-1)-[c:23]:3:[c:9]:[c:29]:[c:26](:[c:25]:[c:24]:3)-[O:27]-[C:28]	1	2829
+[c:1]:[c:2]:1:[c:3](:[s:4]:[c:5](-[c:6]):[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:3]:[c:8])-[N:7]-[C:5](-[c:6])=[O:9].[S:4]=[P:10]-1(-[S:11]-[P:12](-[c:13]:2:[c:14]:[c:15]:[c:16](-[O:17]-[C:18]):[c:19]:[c:20]:2)(=[S:21])-[S:22]-1)-[c:23]:3:[c:24]:[c:25]:[c:26](-[O:27]-[C:28]):[c:29]:[c:30]:3	1	2830
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[s:6]:1>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5](:[s:6]:1)-[C:8](=[O:7])-[O:9]-[C:10]	1	2831
+[c:1]:[c:2]:1:[n:3]:[c:4](-[Cl:5]):[c:6]:[c:7]:[c:8]:1:[c:9]>>[Cl:5]-[P:10](=[O:11])(-[Cl:12])-[Cl:13].[c:1]:[c:2]:1-[N+:3](-[C:4](-[C:6]=[C:7]-[c:8]:1:[c:9])=[O:14])-[O-:15]	1	2832
+[c:1]:[c:2]:1:[n:3]:[c:4](-[Cl:5]):[n:6]:[c:7](-[c:8]):[c:9]:1:[c:10]>>[Cl:5]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[C:4](=[O:15])(-[C:17](-[Cl:18])(-[Cl:19])-[Cl:20])-[Cl:21].[N:6].[c:1]:[c:2](-[N:3]):[c:9](-[C:7](-[c:8])=[O:16]):[c:10]	1	2833
+[c:1]:[c:2]:1:[n:3]:[c:4](-[Cl:5]):[n:6]:[c:7](-[c:8]):[c:9]:1:[c:10]>>[Cl:5]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[c:1]:[c:2](-[N:3]-[C:4](=[O:15])-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19]):[c:9](-[C:7](-[c:8])=[O:20]):[c:10].[N:6]	1	2834
+[c:1]:[c:2]:1:[n:3]:[c:4](-[O:5]-[C:6]):[n:7]:[c:8]:1>>[c:1]:[c:2]:1:[n:3]:[c:4]:[n:7]:[c:8]:1.[O:5]-[C:6]	1	2835
+[c:1]:[c:2]:1:[n:3]:[c:4](-[c:5](:[n:6]):[c:7]):[n:8]:[c:9]:1:[c:10]>>[c:1]:[c:2](-[N:3]):[c:9](-[N:8]):[c:10].[C:4](-[c:5](:[n:6]):[c:7])-[O:11]	1	2836
+[c:1]:[c:2]:1:[n:3]:[c:4](:[n:5]:[c:6](-[c:7]):[c:8]:1:[c:9])-[O:10]>>[C:4](=[O:10])(-[C:12](-[Cl:13])(-[Cl:14])-[Cl:15])-[Cl:16].[N:5].[c:1]:[c:2](-[N:3]):[c:8](-[C:6](-[c:7])=[O:11]):[c:9]	1	2837
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1:[c:7]>>[c:1]:[c:2]:1-[N:3](-[C:4]-[C:5]-[c:6]:1:[c:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	2838
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1:[c:7]>>[N:4](-[O:11]-[C:12]-[C:13]-[C:14](-[C:15])-[C:16])=[O:17].[c:1]:[c:2](-[N:3]-[C:9](-[C:8])=[O:10]):[c:6](-[C:5]):[c:7]	1	2839
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[N+:4](=[O:5])-[O-:6]	1	2840
+[c:1]:[c:2]:[n:3]:1:[c:4](:[n:5]:[n:6]:[c:7]:1-[C:8]):[c:9]>>[C:7](-[C:8])(=[O:10])-[Cl:11].[c:1]:[c:2]:[n:3]:[c:4](-[N:5]-[N:6]):[c:9]	1	2841
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]#[N:6]):[c:7]>>[C-:5](#[N:6])~[Cu+:9].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[O:8]	1	2842
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[C:8]-[O:10]):[c:9]>>[C:5](-[F:6])(-[F:7])(-[C:8](=[O:10])-[O:13]-[C:12]-[C:11])-[Br:14].[c:1]:[c:2]:[n:3]:[c:4](:[c:9])-[Br:15]	1	2843
+[c:1]:[c:2]:[n:3]:[c:4](-[F:5]):[c:6]>>[F:5].[c:1]:[c:2]:[n:3]:[c:4](:[c:6])-[O:7]	1	2844
+[c:1]:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[O:8]	1	2845
+[c:1]:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]):[c:7]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[O:8].[N:5]-[C:6]	1	2846
+[c:1]:[c:2]:[n:3]:[c:4](-[O:5]-[C:6]):[c:7]>>[O:5]-[C:6].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[O:8]	1	2847
+[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[Cl:6]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[O:11]-[C:12].[Cl:6]-[P:7](=[O:8])(-[Cl:9])-[Cl:10]	1	2848
+[c:1]:[c:3](-[N:2]):[c:4]>>[N+:2](=[O:5])(-[O-:6])-[O:7].[c:1]:[c:3]:[c:4]	1	2849
+[c:1]:[c:3](:[c:2])-[C:4](-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])=[O:7].[c:1]:[c:3](:[c:2])-[Br:8]	1	2850
+[c:1]:[c:3](:[c:2])-[C:4](=[C:5]-[C:6])-[C:7]>>[C:4](-[C:5]-[C:6])(-[C:7])=[O:8].[c:1]:[c:3](:[c:2])-[Br:9]	1	2851
+[c:1]:[c:3](:[c:2])-[C:4](=[O:5])-[Cl:6]>>[Cl:6]-[C:7](-[C:8](=[O:9])-[Cl:10])=[O:11].[C:4](=[O:5])=[O:12].[c:1]:[c:3](:[c:2])-[Br:13]	1	2852
+[c:1]:[c:3](:[c:2])-[C:4](=[O:5])-[Cl:6]>>[Cl:6]-[C:7](-[C:8](=[O:9])-[Cl:10])=[O:11].[c:1]:[c:3](:[c:2])-[Br:13].[C:4](=[O:5])=[O:12]	1	2853
+[c:1]:[c:3](:[c:2])-[C:4]-[C:5]#[N:6]>>[C:4]=[O:7].[c:1]:[c:3]:[c:2].[C:5]#[N:6]	2	2854,2855
+[c:1]:[c:3](:[c:2])-[C:4]-[O:5]>>[C:4](=[O:5])-[N:6](-[C:7])-[C:8].[c:1]:[c:3]:[c:2]	1	2856
+[c:1]:[c:3](:[c:2])-[N:4]>>[N+:4](=[O:5])(-[O-:6])-[O:7].[c:1]:[c:3]:[c:2]	2	2857,2858
+[c:1]:[c:3](:[c:2])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[B:7](-[O:8])-[O:9].[c:1]:[c:3]:[c:2]	1	2859
+[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[N:6]-[C:7]>>[N:6](-[C:7])=[N+:9]=[N-:10].[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[O:8]	1	2860
+[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[N:6]-[c:7]>>[N+:6](-[c:7])(=[O:9])-[O-:10].[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[O:8]	1	2861
+[c:1]:[c:3]:1:[c:2]:[c:6]:[c:5]:[s:4]:1>>[c:1]:[c:3]:1:[c:2]:[c:6]:[c:5](:[s:4]:1)-[C:8](=[O:7])-[O:9]-[C:10]	1	2862
+[c:1]:[c:4](-[C:3]-[C:2]):[c:5]>>[c:1]:[c:4]:[c:5].[C:2]-[C:3](=[O:6])-[O:7]	2	2863,2864
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]):[c:7]>>[c:1]:[c:4](:[c:3]:[n:2])-[Br:9].[c:5](:[c:6])(:[c:7])-[Br:8]	1	2865
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]):[c:7]>>[c:1]:[c:4]:[c:3]:[n:2].[c:5](:[c:6])(:[c:7])-[B:8](-[O:9])-[O:10]	1	2866
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]):[c:7]>>[c:5](:[c:6])(:[c:7])-[B:8](-[O:9])-[O:10].[c:1]:[c:4]:[c:3]:[n:2]	1	2867
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:10]:[c:7](:[n:5]:1-[C:6])-[O:8]-[c:9]>>[O:8]-[c:9].[c:1]:[c:4]-1:[c:3](:[c:2])-[N:10]-[C:7](-[N:5]-1-[C:6])=[O:11]	1	2868
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:11]:[c:6](:[s:5]:1)-[N:7]-[C:8](=[O:9])-[C:10]>>[C:8](=[O:9])(-[C:10])-[Cl:12].[c:1]:[c:4]:[c:3](:[c:2])-[N:11].[S:5]-[C:6]#[N:7]	1	2869
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:11]:[c:6](:[s:5]:1)-[N:7]-[C:8](=[O:9])-[C:10]>>[C:8](=[O:9])(-[C:10])-[Cl:14].[c:1]:[c:4]:[c:3](:[c:2])-[N+:11](=[O:12])-[O-:13].[S:5]-[C:6]#[N:7]	1	2870
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:13]:[c:6](:[n:5]:1)-[c:7]:2:[n:8]:[n:9]:[c:10](:[c:11]):[c:12]:2>>[c:1]:[c:4](:[c:3](:[c:2])-[N:13])-[N:5].[N:8](=[O:14])-[O:15].[c:6]:1:[c:7]:[c:12]:[c:10](:[n:9]:1):[c:11]	1	2871
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:8]:[c:6](:[s:5]:1)-[N:7]>>[c:1]:[c:4]:[c:3](:[c:2])-[N+:8](=[O:9])-[O-:10].[S:5]-[C:6]#[N:7]	1	2872
+[c:1]:[c:4]:1:[c:3](:[c:2]):[s:7]:[c:6](:[c:5]:1)-[C:9](=[O:8])-[O:10]>>[C:5](=[O:11])-[N:13](-[C:14])-[C:15].[C:6](-[S:7])-[C:9](=[O:8])-[O:10].[c:1]:[c:4]:[c:3](:[c:2])-[F:12]	1	2873
+[c:1]:[c:4]:1:[c:3](:[c:2]):[s:8]:[c:6](:[n:5]:1)-[N:7]>>[c:1]:[c:4](:[c:3]:[c:2])-[N:5]-[C:6](-[N:7]-[C:9](=[O:10])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)=[S:8]	1	2874
+[c:1]:[c:5](-[C:3](-[C:2])-[O:4]):[c:6]>>[c:1]:[c:5]:[c:6].[C:2]-[C:3](=[O:4])-[O:7]	1	2875
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[C:6]#[N:7]>>[C-:6](#[N:7])~[Cu+:8].[c:1]:[c:5]:[n:4]:[c:3]:[c:2]	1	2876
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:9]	1	2877
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]>>[N:6].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:7]	1	2878
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[C:7]#[N:6]	1	2879
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]-[C:7]>>[O:6]-[C:7].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:8]	1	2880
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]-[c:7]>>[O:6](-[c:7])-[C:9].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Cl:8]	1	2881
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]>>[O:6]=[C:7](-[O:8]-[C:9](-[C:10])=[O:11])-[C:12].[c:1]:[c:5]:[n:4]:[c:3]:[c:2]	1	2882
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]>>[O:6]=[C:8](-[O:9]-[C:10](-[C:11])=[O:12])-[C:13].[c:1]:[c:5]:[n+:4](:[c:3]:[c:2])-[O-:7]	1	2883
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[c:6](:[c:7]):[c:8]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Br:9].[c:6](:[c:7])(:[c:8])-[O:10]-[S:11](=[O:12])(=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17]	1	2884
+[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5]:[n:6]:[c:7]:1>>[C:5](=[O:9])-[O:10].[c:1]:[c:8](:[n:4]:[c:3]:[c:2])-[C:7]-[N:6]	1	2885
+[c:1]:[n:7]:[c:4](:[n:3]:[c:2])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:9])-[O-:10].[c:1]:[n:7]:[c:4](:[n:3]:[c:2])-[Cl:8]	1	2886
+[n:1](:[n:2]):[c:4](:[c:3])-[N:5]>>[n:1](:[n:2]):[c:4](:[c:3])-[O:6].[N:5]	1	2887
+[n:1]:1:[c:2](-[C:3]):[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:2](-[C:3])(=[O:9])-[O:10].[N:1]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7]	1	2888
+[n:1]:1:[c:2](-[C:3]):[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[N:1]-[c:6](:[c:5](-[N+:4](=[O:9])-[O-:10]):[c:8]):[c:7].[C:2](-[C:3])(=[O:11])-[O:12]	1	2889
+[n:1]:1:[c:2]:[c:3](-[C:4]#[C:5]):[c:6]:[n:7]:1>>[C:4](#[C:5])-[Si:9](-[C:10])(-[C:11])-[C:12].[n:1]:1:[c:2]:[c:3](:[c:6]:[n:7]:1)-[I:8]	1	2890
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[c:9]:[n:10]:1>>[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:11]-[C:12]-[C:13]):[c:9]:[n:10]:1.[N:6](-[C:7])-[C:8]	1	2891
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:8]):[c:6]:[c:7]:1>>[C:4](=[O:5])(-[C:10](-[F:9])(-[F:11])-[F:12])-[O:13]-[C:14](-[C:15](-[F:16])(-[F:17])-[F:18])=[O:19].[O:8].[n:1]:1:[c:2]:[c:3]:[c:6]:[c:7]:1	1	2892
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[c:6]):[c:7]:[c:9]:1:[n:8]>>[C:4](=[O:5])-[c:6].[n:1]:1:[c:2]:[c:3]:[c:7]:[c:9]:1:[n:8]	1	2893
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[n:5]:[c:6](-[N:7]):[n:8]:[c:9]:[c:10]:2):[c:11]:[n:12]:1>>[n:1]:1:[c:2]:[c:3](-[C:4](-[C:10])=[O:16]):[c:11]:[n:12]:1.[N:5]-[C:6](-[N:7])=[N:8].[C:9](-[N:14](-[C:13])-[C:15])(-[O:17]-[C:18])-[O:19]-[C:20]	1	2894
+[n:1]:1:[c:2]:[c:3]:[c:4](-[c:5]):[n:6]:1>>[N:1]-[N:6].[C:2](-[N:8](-[C:7])-[C:9])(-[O:11]-[C:12])-[O:13]-[C:14].[C:3]-[C:4](-[c:5])=[O:10]	2	2895,2896
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](=[O:6])-[N:7](-[C:8])-[C:9]):[c:10]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](=[O:6])-[O:11]-[C:12]-[C:13]):[c:10]:1.[N:7](-[C:8])-[C:9]	2	2897,2898
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](-[N:6](-[C:7])-[C:8]):[n:9]:[c:10]:[n:11]:[c:12]:1:2>>[N:6](-[C:7])-[C:8].[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](:[n:9]:[c:10]:[n:11]:[c:12]:1:2)-[O:13]	1	2899
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](-[O:6]):[c:7](-[C:8](=[O:9])-[O:10]-[C:14]):[c:11]:[n:12]:[c:13]:1:2>>[C:5](=[O:6])(-[C:7](-[C:8](=[O:9])-[O:18]-[C:19]-[C:20])=[C:11]-[O:10]-[C:14])-[O:17]-[C:16]-[C:15].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:13]:1-[N:12]	1	2900
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:8]>>[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[Sn:9](-[C:10]-[C:11]-[C:12]-[C:13])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:6](:[c:7]):[c:8]	1	2901
+[n:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[N:4].[n:1]:[c:2](-[C:3](=[O:6])-[O:7]):[c:5]	1	2902
+[n:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[Cl:7]):[c:5].[N:4]	1	2903
+[n:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]):[c:5].[N:4]	1	2904
+[n:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[c:5].[N:4]	1	2905
+[n:1]:[c:2](-[C:3](-[N:4])=[O:5]):[c:6]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:7]-[C:8]):[c:6].[N:4]	1	2906
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]):[c:5].[N:4]	1	2907
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[c:5].[N:4]	1	2908
+[n:1]:[c:2](-[C:3](=[O:4])-[Cl:5]):[c:6]>>[Cl:5]-[S:7](=[O:8])-[Cl:9].[n:1]:[c:2](-[C:3](=[O:4])-[O:10]-[C:11]):[c:6]	1	2909
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[c:8]:[s:9]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:10]-[C:11]-[C:12]):[c:8]:[s:9].[N:5](-[C:6])-[C:7]	1	2910
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[n:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]-[C:10]):[c:7]	1	2911
+[n:1]:[c:2](-[C:3](=[O:5])-[Cl:6]):[c:4]>>[Cl:6]-[C:7](-[C:8](-[Cl:9])=[O:10])=[O:14].[n:1]:[c:2](-[C:3](=[O:5])-[O:11]-[C:12]-[C:13]):[c:4]	1	2912
+[n:1]:[c:2](-[C:3]-[C:4]-[C:5](=[O:7])-[O:8]):[c:6]>>[n:1]:[c:2](-[C:3]=[O:9]):[c:6].[C:4](-[C:5](=[O:7])-[O:8])=[P:10](-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)(-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2)-[c:23]:3:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:3	1	2913
+[n:1]:[c:2](-[C:3]-[Cl:4]):[c:5]>>[Cl:4]-[C:6]-[Cl:7].[n:1]:[c:2](-[C:3]=[O:8]):[c:5]	1	2914
+[n:1]:[c:2](-[C:3]-[Cl:4]):[c:5]>>[n:1]:[c:2](-[C:3]):[c:5].[Cl:4]-[C:6]-[Cl:7]	1	2915
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[n:1]:[c:2](-[C:3]):[c:7]	1	2916
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[n:1]:[c:2](-[C:3]-[O:8]):[c:7]	1	2917
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]-[c:7](:[n:8]):[c:9]):[c:10]>>[N:4]-[C:5].[n:1]:[c:2](-[C:3]=[O:11]):[c:10].[C:6](-[c:7](:[n:8]):[c:9])=[O:12]	1	2918
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5]-[C:6])-[C:7]):[n:8]>>[n:1]:[c:2](-[C:3]=[O:9]):[n:8].[N:4]-[C:7].[C:5](-[C:6])=[O:10]	1	2919
+[n:1]:[c:2](-[C:3]-[N:4]-[C:5]):[c:6]>>[N:4]-[C:5].[n:1]:[c:2](-[C:3]-[O:7]):[c:6]	1	2920
+[n:1]:[c:2](-[C:3]-[O:4]):[c:5]>>[n:1]:[c:2](-[C:3](-[O:4]-[C:7])=[O:6]):[c:5]	1	2921
+[n:1]:[c:2](-[C:3]-[O:4]-[c:5]):[c:6]:[o:7]>>[O:4](-[c:5])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[n:1]:[c:2](-[C:3]-[Cl:8]):[c:6]:[o:7]	1	2922
+[n:1]:[c:2](-[C:3]-[O:5]):[c:4]>>[n:1]:[c:2](-[C:3]):[c:4].[O:5]=[Se:6]=[O:7]	1	2923
+[n:1]:[c:2](-[C:3]=[C:4]-1-[C:5](=[O:6])-[N:7]-[c:8]:[c:9]-1):[c:10]>>[n:1]:[c:2](-[C:3]=[O:11]):[c:10].[C:4](-[C:5](=[O:6])-[O:12])-[c:9]:[c:8]-[N+:7](=[O:13])-[O-:14]	1	2924
+[n:1]:[c:2](-[C:3]=[N:4]-[O:5]):[c:6]>>[n:1]:[c:2](-[C:3](=[O:7])-[O:8]-[C:9]-[C:10]):[c:6].[N:4]-[O:5]	1	2925
+[n:1]:[c:2](-[C:3]=[N:4]-[O:5]):[c:6]>>[n:1]:[c:2](-[C:3]-[O:7]):[c:6].[N:4]-[O:5]	1	2926
+[n:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:6]-[C:7]-[C:8]):[c:5]	1	2927
+[n:1]:[c:2](-[C:3]=[O:5]):[c:4]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:6]-[C:7]-[C:8]):[c:4]	1	2928
+[n:1]:[c:2](-[C:3]=[O:5]):[n:4]>>[n:1]:[c:2](-[C:3]-[O:5]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1):[n:4]	1	2929
+[n:1]:[c:2](-[C:3]=[O:6]):[c:4]:[s:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[c:4]:[s:5]	1	2930
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[s:7]>>[n:1]:[c:2](-[N:3]):[s:7].[C:4](=[O:5])(-[C:6])-[O:8]-[C:9]-[C:10]	1	2931
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[s:9]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2](-[N:3]):[s:9].[C:4](=[O:5])(-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:1)-[Cl:17]	1	2932
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[c:7]):[c:8]>>[n:1]:[c:2](-[N:3]):[c:8].[N:6]-[c:7].[C:4](=[O:5])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	2933
+[n:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]):[c:10]>>[N:4]-[c:5](:[c:6](:[c:7])-[N:9]):[c:8].[n:1]:[c:2](-[C:3](=[O:11])-[N:12](-[O:13]-[C:14])-[C:15]):[c:10]	1	2934
+[n:1]:[c:2]:1:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]:[n:9]:[n:10]:1>>[N:6]-[C:7].[n:1]:[c:2]:1:[c:3](-[C:4](=[O:5])-[O:11]-[C:12]-[C:13]):[c:8]:[n:9]:[n:10]:1	2	2935,2936
+[n:1]:[c:2]:1:[c:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:[c:9]:[n:10]:1>>[N:5](-[C:6])-[C:7].[n:1]:[c:2]:1:[c:3]:[c:4](:[n:8]:[c:9]:[n:10]:1)-[O:11]	1	2937
+[n:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:[n:9]:1>>[N:5]-[c:6].[n:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[n:9]:1)-[O:10]	1	2938
+[n:1]:[c:2]:[c:3](-[C:4]#[N:5]):[s:6]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:7])-[O:8]-[C:9]-[C:10]):[s:6].[N:5]	1	2939
+[n:1]:[c:2]:[c:3](-[C:4](=[C:5]-[C:6])-[C:7]):[c:8]>>[C:4](=[C:5]-[C:6])(-[C:7])-[B:9]-1-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14](-[O:15]-1)(-[C:16])-[C:17].[n:1]:[c:2]:[c:3]:[c:8]	1	2940
+[n:1]:[c:2]:[c:3](-[C:4]-[O:5]):[n:6]>>[n:1]:[c:2]:[c:3](-[C:4](-[O:5]-[C:8])=[O:7]):[n:6]	1	2941
+[n:1]:[c:2]:[c:3](-[N:4]):[c:5]>>[N+:4](-[O:6])(-[O-:7])=[O:8].[n:1]:[c:2]:[c:3]:[c:5]	1	2942
+[n:1]:[c:2]:[c:3](-[N:4]-[C:5](=[O:6])-[C:7]):[c:8]:[n:9]>>[n:1]:[c:2]:[c:3](-[N+:4](=[O:10])-[O-:11]):[c:8]:[n:9].[C:5](=[O:6])(-[C:7])-[O:12]	1	2943
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]>>[c:4](:[c:5])(:[c:6])-[B:8]-1-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13](-[O:14]-1)(-[C:15])-[C:16].[n:1]:[c:2]:[c:3]:[c:7]	1	2944
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]>>[c:4](:[c:5])(:[c:6])-[Br:9].[n:1]:[c:2]:[c:3](:[c:7])-[Br:8]	1	2945
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[n:7]:[n:8]>>[c:4](:[c:5])(:[c:6])-[B:9](-[O:10])-[O:11].[n:1]:[c:2]:[c:3]:[n:7]:[n:8]	1	2946
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8]>>[c:4](:[c:5]:[n:6])(:[c:7])-[Br:10].[n:1]:[c:2]:[c:3](:[c:8])-[Br:9]	1	2947
+[n:1]:[c:2]:[c:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1):[c:9]>>[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[I:11].[n:1]:[c:2]:[c:3](:[c:9])-[Br:10]	1	2948
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:9]-[C:10]	1	2949
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:9]-[C:10]-[C:11]	1	2950
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[C:7]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:9]	2	2951,2952
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[C:7]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:9].[N:6]-[C:7]	3	2953,2954,2955
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]>>[N:6]-[c:7](:[n:8]):[c:9].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:10]-[C:11]	1	2956
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:9].[N:6]-[c:7]	2	2957,2958
+[n:1]:[c:2]:[c:3]-[C:4]-[C:5]#[N:6]>>[C:5]#[N:6].[n:1]:[c:2]:[c:3]-[C:4]	2	2959,2960
+[n:1]:[c:2]:[c:3]-[C:4]-[Cl:5]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:9])-[O:10]-[C:11].[Cl:5]-[S:6](=[O:7])-[Cl:8]	1	2961
+[n:1]:[c:2]:[c:3]-[C:4]-[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[O:5]-[C:6])=[O:7]	1	2962
+[n:1]:[c:2]:[c:3]-[C:4]=[N:5]-[O:6]>>[n:1]:[c:2]:[c:3]-[C:4]-[O:7].[N:5]-[O:6]	1	2963
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[O:5]-[C:6])=[O:7]	1	2964
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4]-[O:5]-[C:6]	1	2965
+[n:1]:[c:2]:[c:3]-[N:4]-[C:5]-[C:6]>>[C:5](-[C:6])-[O:7].[n:1]:[c:2]:[c:3]-[N:4]	1	2966
+[n:1]:[c:2]:[c:3]-[N:4]-[S:5](-[C:6])(=[O:7])=[O:8]>>[n:1]:[c:2]:[c:3]-[N+:4](=[O:9])-[O-:10].[S:5](-[C:6])(=[O:7])(=[O:8])-[Cl:11]	2	2967,2968
+[n:1]:[c:2]:[c:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[n:8]:1>>[n:1]:[c:2]:[c:3]-[C:4]#[C:5]-[Si:9](-[C:10])(-[C:11])-[C:12].[N-:6]=[N+:7]=[N:8]-[Si:13](-[C:14])(-[C:15])-[C:16]	1	2969
+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[C:8]):[o:9]:1>>[n:1]:[c:2]:[c:3]-[C:4](=[O:10])-[O:11].[N:5]-[N:6]-[C:7](-[C:8])=[O:9]	1	2970
+[n:1]:[c:2]:[c:5]-[C:3]#[N:4]>>[N:4]-[O:6].[n:1]:[c:2]:[c:5]-[C:3]=[O:7]	1	2971
+[n:1]:[c:2]:[c:5]-[C:3]#[N:4]>>[n:1]:[c:2]:[c:5]-[C:3]=[O:7].[N:4]-[O:6]	1	2972
+[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[N:6]-[c:7]:1:[c:8]:[c:9](:[n:10]):[n:11]:[c:12]:[c:13]:1>>[c:7]:1(:[c:8]:[c:9](:[n:10]):[n:11]:[c:12]:[c:13]:1)-[Br:22].[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[O:14].[N:6]-[C:20](-[O:19]-[C:16](-[C:15])(-[C:17])-[C:18])=[O:21]	1	2973
+[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[N:6]-[c:7]>>[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[O:8].[N:6](-[c:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15]	1	2974
+[n:1]:[c:3](:[c:2])-[C:4]-[O:5]>>[n:1]:[c:3](:[c:2])-[C:4](-[O:5]-[C:7])=[O:6]	1	2975
+[n:1]:[c:3](:[c:2])-[C:4]=[O:5]>>[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[O:6]-[C:7]	1	2976
+[n:1]:[c:3](:[c:2])-[N:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[N:7]-[c:8].[n:1]:[c:3](:[c:2])-[N:4].[C:5](=[O:6])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	2977
+[n:1]:[c:4]:1:[c:3](:[n:2]):[c:9](:[n:8]:[c:6](:[c:5]:1):[c:7])-[N:10]>>[n:1]:[c:4]:1:[c:3](:[n:2]):[c:9]:[n+:8](:[c:6](:[c:5]:1):[c:7])-[O-:11].[N:10]	1	2978
+[n:1]:[c:6]:[c:3](:[n:2])-[C:4]=[O:5]>>[n:1]:[c:6]:[c:3](:[n:2])-[C:4](=[O:5])-[O:7]-[C:8]-[C:9]	1	2979
+[o:1]:[c:2]:[c:10]:[c:4](:[c:3])-[N:5]-[S:6](-[C:7])(=[O:8])=[O:9]>>[N+:5](-[O:12])(-[O-:13])=[O:14].[S:6](-[C:7])(=[O:8])(=[O:9])-[Cl:11].[o:1]:[c:2]:[c:10]:[c:4]:[c:3]	1	2980
+[o:1]:[c:2]:[c:6]:[c:4](:[c:3])-[N:5]>>[N+:5](-[O:7])(-[O-:8])=[O:9].[o:1]:[c:2]:[c:6]:[c:4]:[c:3]	1	2981
+[s:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[n:8]>>[N:5](-[C:6])-[C:7].[s:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[n:8]	2	2982,2983
+[s:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[s:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[c:7]	2	2984,2985
+[s:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[C:6]):[n:7]:[c:8]:[c:9]:1>>[s:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[c:9]:1)-[O:10].[N:5]-[C:6]	1	2986
+[s:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:[n:9]:1>>[N:5]-[c:6].[s:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[n:9]:1)-[O:10]	1	2987
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/composite_policy_data.tsv b/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/composite_policy_data.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..81f05c6d46c8d765d23c0db90244e09eb4bca674
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/composite_policy_data.tsv
@@ -0,0 +1,2989 @@
+product_smiles	rule_id
+c1cc(ccc1CCCOCc2ccccc2)CBr	0
+C[Si](C)(C)OC(CC#C)(CCC)CCCC	1
+c1(nc(-c2nc(CCC)ccc2)nc(c1)C)OCC#C	2
+C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O	3
+c1cc(ccc1C(C)(C)C#C)F	4
+C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O	5
+C1CC1N(C)Cc2c(ccc(C#Cc3ccc(cc3)CC(=O)OC)c2)C(=O)OC(C)C	6
+c1cc(ccc1C#Cc2cc(CCCC#N)c(F)cc2)OC(F)F	6
+c1cc(ccc1Cl)C#Cc2ccc(c(C#N)n2)N	6
+c1cc(ccc1C#Cc2cccc(N)n2)C(OCC)=O	7
+c1cc(ccc1C#Cc2c([N+]([O-])=O)cccn2)CCC(=O)OC	8
+C[Si](C)(C)C#Cc1ccc(cc1)N(CCCC)CCCC	9
+C[Si](C)(C)C#Cc1cc(OC(C)c2c(ccc(F)c2Cl)Cl)c(nc1)N	10
+C1CC1C(c2ccc(cc2)Cl)=C(C=O)F	11
+FC(F)(F)C(F)(F)CCNC(C(C)(F)C(NC1C(N(c2c(-c3c1cccc3)cccc2)CC4CC4)=O)=O)=O	12
+c1ncncc1Cn2nc(-c3nc(c(nn3)C(C)(C)C(=O)OC)O)c4cc(cnc24)F	13
+O=C(OCC)C(C(=O)OCC)C(=O)c1cc(F)c(cc1Br)F	14
+CC(C)(C)OC(N1CC2(C1)CC(C2)OS(=O)(=O)C)=O	15
+C1N(CC1C(Nc2ccccc2N)=O)c3cc(nc(C)n3)-n4nc(nc4C)C	16
+C1(Cl)CCOc2cc(ccc12)F	17
+O=S(=O)(c1ccc2c(CCCC2Cl)c1)c3ccccc3	17
+CC(C)(C)OC(N1CC(CC1)NC(=O)COCCBr)=O	18
+c1cc(ccc1C#N)CCCBr	19
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=O)(=NCCBr)C	19
+N1(C(=O)C)c2cc(C)cc(C)c2C(C1)CCBr	20
+O=C1Nc2c(cccc2)C(C1)CCCl	21
+O=C1Nc2c(cccc2)C(C1)CCCl	22
+CC(C)(C)OC(=O)N1CC(c2ccccc2)CC1COC	23
+CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2	24
+CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2	25
+CC(C)(CO)c1ccc(cc1)F	25
+O=C1Nc2c(cccc2)C(CCO)C1	25
+C1CC(CCC1)=CCCCCCO	26
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCO)C3=O	26
+c1(CCO)ccc([N+]([O-])=O)cc1Cl	26
+C(O)CC1n2c(cc(I)c2)C(NC1)=O	27
+c1cc(ccc1)C(c2ccccc2)CO	28
+c1cnccc1N2CCC(CC2)CO	28
+O=S(=O)(OCCC1n2cc(I)cc2C(=O)NC1)C	29
+CC(C)(C)OC(N1CC(c2ccccc2)CC1COS(=O)(=O)C)=O	30
+C1CC(CCC1COS(=O)(=O)C)C(OCCCC)=O	31
+c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C	32
+c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C	33
+O=S(=O)(C)OCC(c1ccc(Cl)c(c1)Cl)CCOC2OCCCC2	34
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(CCOS(=O)(=O)C)nc4	35
+O=S(=O)(C)OCCCc1ccc(cc1)Br	36
+C(=O)Cc1ccc([N+]([O-])=O)cc1Cl	37
+FC(F)(F)c1ccc(cc1)CCC=O	37
+c1cc(ccc1F)C(C)(C)C=O	38
+C(=O)Cc1ccc([N+]([O-])=O)cc1Cl	39
+CC(C)(C)OC(=O)NCC(C=O)C	40
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C=O	41
+c1cc(ccc1F)C(C)(C)C=O	42
+c1ccccc1[Si](c2ccccc2)(N3C(=O)CC3C=O)C(C)(C)C	43
+c1cc(ccc1C2C(C2)CCO)Br	44
+c1cc(ccc1C2C(C2)CCO)Br	45
+c1cc(ccc1CCC(OCC)=O)C#N	46
+c1cc(ccc1C#N)CCCO	47
+c1cc(ccc1N2C(=O)C(COS(=O)(=O)C)CC2)Cl	48
+c1cc(ccc1Cl)Oc2cc(CCC)c(C(=O)COc3ccc(cc3)OC)cc2	49
+c1(C=CCO)c(cccc1)Br	50
+CC(C)(C)c1nnc(NC(N(C(C)C=O)C)=O)s1	51
+C1CN(CCC1N2C(C(CC2)Oc3cc(F)c(S(=O)(=O)C)cc3F)=O)C#N	52
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)OCc4cc5c(OCO5)cc4)=O)=O	53
+N(C(C)=O)C1C(=O)NC(C(NC(CC(C)CCCCCCC1)C(O)CC(C)C(NCCCC)=O)=O)C	54
+C1CC(CCN1OC)(C(OC)=O)NC(=O)Cc2c(C)cc(F)c(c2)Br	55
+C(C)C(CC)(C(NC)=O)NC(=O)c1ccc(OC)c(-c2cc(ccc2)Cl)n1	56
+CC(C)(C)C(NC(c1ccc(cc1)-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)=O)C(=O)OC(C)(C)C	57
+CC(C)(C)OC(NC1CCC2CN(CC12)Cc3ccccc3)=O	58
+CC(C)(C)OC(NCC(c1cc2cc[nH]c2cc1)c3ccccc3)=O	59
+C1CC(CCN1CC(O)COc2nccnc2Cl)N3CCN(c4ccccc4)C3=O	60
+c1ccccc1Oc2cnc(cc2)CO	61
+C1C(C(c2ccc(cc2Cl)F)O)C1C#N	62
+C1C(C(c2ccc(cc2Cl)F)O)C1C#N	63
+N#CC1CC1C(c2ccc(cc2Cl)F)=O	64
+c1cc(ccc1)C(Cc2cc(ccc2)C)=O	65
+c1cc(ccc1)C(=O)c2c(N)ccc(c2)F	66
+c1cc(ccc1CO)CCCOCc2ccccc2	67
+O=S(=O)(c1ccc(cc1)Br)n2c3ccccc3cc2C=O	68
+[nH]1c(C=O)cc2c1cccc2	68
+C1(N2C(CCC2)c3n(-c4ccccc14)cnc3C=O)=O	69
+COc1c(cc(cc1)C(=O)c2ccc(c(c2)OCC)OC)[N+](=O)[O-]	70
+CC(C)(C)C(=O)Oc1cccc(CBr)c1	71
+Clc1cnc(Oc2cccc(CBr)c2)cc1	71
+O=S(=O)(c1ccc(c(c1)Cl)CBr)C	72
+c1c(Cl)c(c(cc1OCc2ccccc2)Cl)CBr	72
+[N+](c1cc(CBr)cc(Br)c1)([O-])=O	73
+C(c1cc2c(cc1)cc(F)cc2)Br	74
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CBr	75
+CC(C)N1C(c2cc(ccc2C(=N1)Br)CBr)=O	76
+c1(OC)cc(CBr)cc(Br)c1	77
+C1CC1c2cccc(c2CCl)F	78
+COc1cc2c(ccnc2cc1)CCl	79
+FC1(F)Oc2c(ccc(CCl)c2)O1	80
+FC(F)(F)c1cc(ccc1CC2CCCCC2)CCl	81
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3nc(cs3)C=4CC(ON=4)c5c(CCl)cccc5	82
+O=S(=O)(c1c(CO)ccc(Br)c1)C	83
+c12c(cc(CO)c(c1)OC)cc(cc2)Br	83
+c1c(ccc([N+]([O-])=O)c1CO)C(=O)OC	84
+c1c(cc(C)c2Cc3c(cccc3C)-c12)C	85
+Clc1ccc(c(C=O)c1)Sc2cccs2	86
+c1c(C=O)cc2cc(c(OC)c(c2c1)OC)OC	86
+c12c(cc(c(c1)OC)C=O)cc(cc2)Br	87
+O=Cc1ccc([N+]([O-])=O)cc1F	88
+c1(C=O)cc2nn[nH]c2cc1	89
+c1cc(ccc1C=O)-c2cnco2	89
+c1ccccc1CCCCC#Cc2ccc(C=O)cc2F	90
+O=Cc1cc(ccc1[N+]([O-])=O)C(=O)OC	91
+c12c(cc(c(c1)OC)C=O)cc(cc2)Br	92
+O=Cc1cc(ccc1[N+]([O-])=O)C(=O)OC	93
+FC(F)(F)c1ccc(cc1)-c2n(C)c(c(n2)C=O)C	94
+c1cc(ccc1F)-c2c(CCl)c(nc(C(C)C)c2C(OCC)=O)C(C)C	95
+c1(CCl)cccnc1N2CC(CC2)F	96
+c1ccccc1C(O)c2cc(C(=O)C=CN(C)C)ccc2F	97
+C(OCCCl)CC(Cl)=O	98
+FC(F)(c1ccccc1)CNc2c(F)c(c(cc2)Cl)CC(=O)O	99
+c1(N2C(CC(C(OC)=O)C2)=O)ccc(c(C)c1)O	100
+c1c(c(cc(c1)NC(CC(OC)=O)=O)F)OCc2cccc(F)c2	101
+c1ccccc1COC(=O)NC2C(CC(=O)CC2)NC(OCc3ccccc3)=O	102
+CC(C)(C)OC(=O)COCc1cc(ccn1)C(F)(F)F	103
+c1cc(ccc1)OC(=O)Nc2cc3CCCc3nc2	104
+C1CCCC1n2c(cc3c2nc(Cl)nc3)C(O)=O	105
+O=S(=O)(c1ccccc1)Nc2c(scc2)C(=O)Cl	106
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(Cl)=O)s3	106
+c1cc(c(c(C(Cl)=O)c1OC)F)OC	107
+c1ccccc1CCN2C3CC(CC2CC3)=C(c4ccccc4)c5ccc(cc5)C(Cl)=O	108
+c1ccccc1COc2cc(OCc3ccccc3)c(C(Cl)=O)cc2Br	109
+FC(F)Oc1c(F)c(C(=O)Cl)cc(c1F)F	110
+c1cc(ccc1C2CCCCC2)C(N3c4c(cccc4)Cn5c(C(=O)O)ccc5C3)=O	111
+[nH]1cc(c2ccc([N+]([O-])=O)cc12)C(=O)O	112
+c1cc(ccc1)COc2c(C(C)C)cc(-c3onc(c3)C(=O)OCC)c(OCc4ccccc4)c2	113
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)N(OC)C	114
+C1CN(CCN1CC(=O)c2cc(OC)c(cc2)OC)C=3C(=O)C=CC=CC=3	115
+c1ccccc1COC(c2cc(ccc2N)C#N)=O	116
+c1cc(ccc1C=CC(OCCCCCCCl)=O)OC(c2ccc(cc2)OCCOC)=O	117
+c1cc(ccc1F)Sc2c(C=O)c(ccc2)F	118
+FC(F)(F)COc1ccc(cc1)N=C=S	119
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)N=C=S)Cl	119
+C1CN(CCC12OC2)c3ncnc(Cl)c3	120
+C1COC(O1)(C2OCC(N(Cc3ccccc3)C2)=O)C	121
+C1CN(CCC12C(=C(c3c(C)cc(F)c(c3)Br)C(=O)N2)O)OC	122
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCO	123
+CC(C)(C)OC(=O)N1CC(CC(C#N)C1)N(CC(C)C)C(c2nc3ccccc3n2CCCCOC)=O	124
+CC(C)(C)C(=O)N(C1CC(C#N)N(C(OC(C)(C)C)=O)C1)C2CCC(CC2)C	125
+CC(C)(C)OC(=O)C1C2(CCC(CC2)(CN)C1)C#N	125
+CC(C)(C)OC(=O)N1CC(CC(C#N)C1)N(CC(C)C)C(c2nc3ccccc3n2CCCCOC)=O	125
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)C#N	125
+c1cc(ccc1C2N(C(CC)CC)C(=O)C(CC#N)(CC2c3cccc(Cl)c3)C)Cl	126
+c1cc(ccc1CC(NC(=O)CCCCCCc2ccccc2)CCC#N)OCc3ccccc3	126
+c1cc(ccc1CC(NC(=O)CCCCCCc2ccccc2)CCC#N)OCc3ccccc3	127
+CCC=CCCC(CCC=CCC)C#N	128
+CC(C)(C)OC(C1(CCOCC1)CN2CCC(CC2)C#N)=O	129
+CN(C)C(N1CC2C(CC(C2)C#N)C1)=O	130
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)C#N	131
+c1cc(ccc1C(C(C)(C)N2CCOCC2)=O)N3CCCCC3	132
+c1cc(ccc1C(C(C)(C)N2CCOCC2)=O)N3CCCCC3	133
+CC(C)(C)OC(=O)N1C(CC2(CC2)C1)CO	134
+CC(C)(C)OC(N1CC(C(c2ccc(c(c2)Cl)Cl)C1)C(OC)=O)=O	134
+CC(C)(C)OC(N1CCC2C(c3c(scc3)C2)C1)=O	134
+CC(C)(C)OC(N1Cc2c(cccc2C1)C#N)=O	134
+CC(C)(C)OC(N1CC(F)(F)C(O)CC1)=O	135
+CC(C)(C)OC(=O)N1CCc2sccc2CC1	136
+CC(C)(C)OC(=O)N1CCC2(N(Cc3ccccc3)CCC2)C1	137
+CC(C)(C)OC(=O)N(CCc1ccc([N+](=O)[O-])cc1Cl)Cc2ccc(cc2)F	138
+CC(C)(C)OC(N1CC(c2ccc(cc2)N)SCC1)=O	139
+CC(C)(C)OC(=O)N1C(C)(C)CN(C2(CCCC2)C1)Cc3ccccc3	140
+CC(C)(C)OC(=O)N1CC(C)(C)c2cnc(Cl)cc12	141
+CC(C)(C)OC(=O)N(C1CC1)Cc2cc(Br)ccc2Cl	142
+CC(C)(C)OC(=O)N(C1CC1)Cc2cc(Br)ccc2Cl	143
+CC(C)(C)OC(=O)N(c1ccc(cc1)S(=O)(=O)C)C2CCNC2	144
+CC(C)(C)OC(=O)NCCC1CN(CC1)Cc2ccccc2	145
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CNC(OC(C)(C)C)=O	145
+CC(C)(C)OC(NCCC1(CCN(CC1)Cc2ccccc2)O)=O	146
+CC(C)(C)OC(NC(CC(=O)OCC)Cc1c(F)ccc(F)c1)=O	147
+CC(C)(C)OC(=O)Nc1ccc(nc1)CC(OCC)=O	148
+CC(C)(C)OC(Nc1c(OCc2ccccc2)cccc1F)=O	149
+CN(C)C(CN)(C)CCCC	150
+CN(C)C(C)(CCCC)CNC(=O)c1ccc(c(Cl)c1)Cl	151
+c1ccccc1CCC(C)CC(=O)OCC	152
+CC(C)(C)OC(=O)N(Cc1c([N+](=O)[O-])cccc1)C(C)C	153
+c1ccccc1OCCC(N(C)C)C	154
+c1cc(ccc1C(C)=O)CC(NCC(O)c2ccccc2)C	155
+CC(C)Nc1c(Nc2ccccc2)nccc1	156
+C(C)C(CC)Nc1c(nccc1)N2CCN(CC2)C(OCc3ccccc3)=O	157
+C=1(C(=O)NC(=O)C=1c2cc(NC(CCO)C)ccc2)c3c4ccccc4n(C)c3	158
+[N-]=[N+]=NC(C)CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C	159
+C(CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C)(C)N	160
+C(CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C)(C)N	161
+FC(F)(F)c1cc(Cl)c(nc1)-c2ccc(Cl)c(OC(C)C)c2	162
+CC(C)(C)[Si](C)(C)OCC1Cc2ccc3c(c2O1)CCC3	163
+CC(C)(C)OC(NC(CCC(SC(C)=O)CNC(=O)OCc1ccc(cc1)[N+](=O)[O-])C(OC)=O)=O	164
+c1cc(ccc1)CN2CC3C(CC(C2)C3)=O	165
+c1cc(ccc1C(C)=O)CC(C)=O	165
+C[Si](C)(C)OC(CC#C)(C(F)F)CCCC	166
+CC(C)(C)OC(N1CC(F)(F)C(CCO)CC1)=O	167
+C1CC(CCN1OC)CCO	168
+CC1(C)CCOc2cc(C(CCCCC)CO)ccc12	169
+FC(F)(F)c1ccc(Cl)cc1CC2C(=O)c3cc(c(N4CCOCC4)cc3C2)OC	170
+C1CN(CCC1C=O)OC	171
+C1CC(CCN1C(OCC)=O)N2CCC3(CC2)CC=C(C(N(C)C)=O)c4c3cccc4	172
+FC(F)(F)c1cc(ccc1)N2CCN(CCC2)C3CCC(CC3)c4c5ccc(cc5[nH]c4)F	172
+FC(F)(F)c1cc(ccc1)N2CCN(CCC2)C3CCC(CC3)c4c5ccc(cc5[nH]c4)F	173
+C1CC(CCN1c2ccc([N+](=O)[O-])c(OC)c2)N3CC(CCC3)O	174
+C1CCCCCN1C(=O)CC2CCCc3n(ncc23)-c4ccccc4	175
+C1CCCN1C(=O)Cc2ccc([N+](=O)[O-])c(c2)OC	175
+CC(C)(C(N1CCCC1)=O)Sc2cc3sc(N)nc3cc2	175
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(=O)N2CCOCC2)n1	175
+C1C(CC1N)(c2ncccc2)C#N	176
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N	176
+CC(C)(C)OC(=O)N1CC(N)CC1C(OC(C)(C)C)=O	176
+C1C(CC1N)(c2ncccc2)C#N	177
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N	177
+CC(C)(C)OC(=O)N1CC(N)CC1C(OC(C)(C)C)=O	177
+C1(CCCN(C(=O)OCC)CC1)N	178
+C1CC(CC(C1)N)c2ccc(OCOC)cc2OCOC	179
+Clc1ccc(N2CCC(C2)C(C)N)c([N+]([O-])=O)c1	180
+c1cc(ccc1)CN2CC(C(CC2)C(C)N)c3ccc(cc3)Cl	181
+C1CN(CCC1N)Cc2ccc(cc2)C	182
+C1CC(c2cccc(C)c12)N	183
+NC(CCC=C)c1ccccc1OC	183
+c1(c(C(CCC2CCN(CCSc3c(ccc(F)c3)F)CC2CC(=O)OC)N)c4cc(ccc4nc1)OC)F	184
+c1(cc(F)c(cc1)F)C(N)C(C)O	185
+c1cc(ccc1NS(=O)(=O)C)C(N)C	185
+C1C(CC(N)=O)CC(C)CC1	186
+CC(C)(C)OC(=O)NC(CC(C)C)C(N1C(CC)CCC1C(N)=O)=O	186
+FC(F)(F)C1(c2ccccc2-c3c(cc(cc13)OCC(C)O)-c4cn(C(C)(C)C(N)=O)nc4)O	186
+C12CC(CC(CCC1)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O)C(N)=O	187
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cn2)Nc3nc(c(cn3)C)CCc4ccccc4CC(=O)N	187
+CC(C)(C)OC(=O)Nc1cc(CCC(=O)N)ccn1	187
+CC(C)(C)OC(N1CC(C(=O)N)CC(N(C(c2n(c3c(cccc3)n2)CCCCOC)=O)CC(C)C)C1)=O	187
+CC(C)(CCC)C(N)=O	188
+c1cc(ccc1CC(CCC(N)=O)NC(=O)CCCCCCc2ccccc2)OCc3ccccc3	189
+c1cc(ccc1Cn2c3ccc(OC)cc3c(CC(C)CC(N)=O)c2C)Br	190
+c1cc(ccc1)COc2cc(ccc2Cc3ccc(cc3)CC)CC(=O)N	191
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=S)N	192
+CC(C)(C)OC(=O)Nc1nccc(CCC(=S)N)c1	193
+c1cc(ccc1Cn2c(c(CC(C)CC(=S)N)c3c2ccc(OC)c3)C)Br	194
+CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O	195
+C1CC(CCC1C(NCc2c(O)nc(nn2)N)=O)C(=O)OC	196
+C1CN2CCC1C(NC(Cc3cc4ccccc4n3C)=O)C2	197
+C1CC(CCC1C(NCC)=O)CC(=O)OCC	198
+c1cc(ccc1C#N)C(NNC(=O)C(Nc2cc(c(C#N)cc2)Cl)C(C)O)=O	199
+c1cc(ccc1C#N)C(=O)NNC(=O)C(C(O)C)Nc2ccc(c3ccccc23)C#N	200
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3	201
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3	202
+CC1(C)c2c(C(C1)NS(=O)(=O)C)cccc2	203
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(cc(C#N)cc2)Oc3c(Br)cccc3	204
+C1CCC(C1)Oc2cc(CC(=O)Nc3c(O)c([N+](=O)[O-])ccc3)ccc2OC	205
+CC(Nc1c(Cl)nn(-c2cccnc2)c1)=O	206
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1Cc2c(C)[nH]c3c2cccc3	207
+CC(C)(C)OC(N1CC(CC1C(=O)Nc2ccc(cc2)N3C(=O)COCC3)N=[N+]=[N-])=O	207
+C1C(CC1N=[N+]=[N-])(c2ncccc2)C#N	208
+C1COCCC1C(N=[N+]=[N-])C	208
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1C(=O)OC	208
+CC(C)(C)OC(C1N(C(=O)OC(C)(C)C)CC(C1)N=[N+]=[N-])=O	208
+c1cc(ccc1Cl)C2(O)CN(Cc3cc(ccc3)OC)CC2	209
+FC(F)(F)C(CC1(C)c2cc(SC)ccc2OCC1)O	210
+C1CC(CCC1CCCCC)c2cc(c(cc2)C3CCC(CC3)C4CCC(CC4)O)F	211
+CC(C)(C)OC(=O)NCCCCCC(C)O	212
+CC(C)(C)OC(NC(CCc1ccc(cc1)Br)C(C)O)=O	212
+FC(F)(F)CC(C(NS(=O)(=O)c1sc(cc1)Cl)C(O)C)C	212
+CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O	213
+CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O	214
+CC1(C)C(n2cncc2C(O)C)c3c(C(=O)O1)cccc3	215
+C1(c2cc(OC)c(cc2)OC)CC(CCC1[N+](=O)[O-])OC(=O)C	216
+CC(C)(C)OC(=O)NC1CCC(OS(=O)(=O)C)C1	217
+O=S(=O)(OC(C1C(C)(C)C1C(OCC)=O)C(Cl)Cl)c2ccc(cc2)C	218
+CC(C)N1CC(Oc2ccc(Cl)cc2Br)CC1	219
+FC(F)(F)c1cc(C2CCN(CC2)C(=O)OC(C)(C)C)c(cc1)Sc3ccc(cc3)Cl	220
+O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3	220
+c1ccccc1C(C2CC(N(C2)C(c3ccccc3)C)=O)O	221
+c1cc(c2c(c1)C(=O)C(C)C2)-c3ccccn3	222
+C1CC(CCC1CCCCC)c2cccc(F)c2F	223
+C1CC(CCC1c2c(F)cc(cc2)Br)CCC	223
+O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3	223
+c1(C(CCCC)N)cc(c(OC)cc1)OC	224
+C1CC(CCN1C)c2c3c(cc4c(N(CC4)C(C)=O)c3)[nH]c2	225
+c1cc(ccc1)-c2c(c3c([nH]2)cccc3)C4CCNCC4	225
+Brc1ncc(c(C(=O)C)c1)F	226
+FC(F)(F)c1cc(N2C(C)=C(C(c3ccc(cc3[N+]([O-])=O)C#N)NC2=O)C#N)ccc1	227
+Clc1cc(c(C2CC(=O)NC(=C2C(Nc3cc(Cl)c4n[nH]cc4c3)=O)C)cc1)F	228
+C1CN(CCO1)CC=C(C[N+](=O)[O-])C	229
+CC(C)CC(=CCCC(CC)=CCOc1cc2c(OCO2)cc1)C	230
+c1ccccc1C(C)=NNC(c2c(c(ccc2)[N+]([O-])=O)O)=O	231
+C(C(=NO)c1c(F)cnc2ccc(OC)cc12)CC3CCN(CCSc4c(ccc(F)c4)F)CC3CC(=O)OC	232
+FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C	233
+FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C	234
+CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br	235
+CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br	236
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOC(C(C(=O)C)=Cc4cc([N+](=O)[O-])ccc4)=O	237
+C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4	238
+C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4	239
+CC(C)(CF)C(COc1ccc(Cl)cc1Cl)=O	240
+c1cc(ccc1OCC(C(CF)(CF)C)=O)Cl	240
+C(CN1C(=O)CCCC1C=CC(=O)CCCCC)#CCCCC(OC)=O	241
+C1COCCC1CC(c2cc(n(C)n2)SC)C(C=C)=O	242
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O	243
+CC(C)CCCC(CC(C)=O)C	244
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O	244
+CC(C)(C)c1c(O)c(c(c(C)c1)CC(=O)Cl)C	245
+c1cc(ccc1COC(CC(=O)Cl)CCCCCCCCCCC)OC	246
+c1cc(ccc1C=2C(N(C3(CCCCC3)N=2)CC(=O)Cl)=O)C	247
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(n2)CCC(Cl)=O)Cl)OC	248
+c1cc(Cl)c(c(Cl)c1OC(C)C(Cl)=O)C	249
+c1cc(ccc1CCC)OC(C)C(Cl)=O	249
+FC(F)(F)c1cc(C(C(c2cc(F)ncc2)N(C(=O)C)C3CCCC3)O)ccc1	250
+c1cc(ccc1-c2ccccc2)C(N(C(=O)CN3C(=O)Oc4c3cc(c(C)c4)OC)C)CN5CCOCC5	251
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(O)cc4c(C(=O)C)c3	252
+CC(C)(C)OC(C1N(C(=O)C2N(C(C(NC(CSCCCCCCC)C(=O)OCC)C)=O)CCC2)CCC1)=O	253
+OC1C(O)CN(C1)C(=O)CNC(=O)c2[nH]c3ccc(Cl)cc3c2	254
+C1CC(CCN1C(C)=O)CC(NC(=O)C2CCCCC2NC(c3n(C)c4ccccc4c3)=O)C#N	255
+O=S(=O)(c1nc2CCN(C(C)=O)Cc2c(n1)-c3c(Cl)cc(Cl)cc3)C	255
+c1cc(ccc1OCCC2CCCCN2C(C)=O)-c3[nH]c4cc(ccc4n3)C(N)=O	255
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(N2CCN(CC2)C(OC(C)(C)C)=O)=O	256
+CC(C)(C)C(C(=O)N1C2C(c3c4ccc(cc4[nH]c3)F)CN(C2CC1)C5CCCC5)NC(OC(C)(C)C)=O	257
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C	257
+CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)C(CN2C(c3c(cccc3)S2)=O)=O	257
+CC(C)(C)OC(=O)NCC1CCCCN1C(CCCCCCCCCCCC)=O	258
+C1CN(CCC1Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2)C(C)=O	259
+C1N(CC1Nc2cncc(N3C(c4c(cc(cc4)Cl)C3(C)C)=O)c2)C(C)=O	259
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(n3)C#Cc4c5c(ccc4)cccc5)n1)C	260
+c1cc(ccc1-c2nn(C3CCCN(C(CC#N)=O)C3)c4c2c(ncn4)N)Oc5c(cccc5)F	260
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CN(CCC4)C(CC#N)=O)Oc5c(ccc(F)c5)F	260
+CC(C)(C)NC(=O)C1(CCN(CC1)C(C2C(CC(=C)C2)c3ccc(F)cc3F)=O)C4CCCCC4	261
+CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C)C2CCC(CC2)N(C)C(=O)C)=O	262
+Clc1cc(cc(Cl)c1C(C(N2CCCC2)=O)c3ccc(cc3)Cl)N4N=CC(NC4=O)=O	263
+c1cc(ccc1OC(C(N(C(C)C)Cc2nc(-c3cccnc3)no2)=O)C)CCC	263
+C1COCCN1C(=O)C2N(C(CN(C2)S(=O)(=O)c3ccc4c([nH]cc4Cl)c3)=O)CC5CCN(CC5)C=6C=CC(=O)N(C)N=6	264
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C	264
+C1CN(CCN1C(C(NC(N(CCC2CCCCC2)CCSC(=O)C)=O)C)=O)C	265
+C1CN(CCN1C(C2CCN(CC2)c3c(cncc3F)NC(c4c5n(cc(F)cn5)nc4N)=O)=O)C6COC6	265
+C1CC2CCC1N2C(C(C)(C)c3ccc4[nH]c(-c5cc(C)cc(C)c5)c(C(C)CNC(=O)OC(C)(C)C)c4c3)=O	266
+C1COCCN1C(=O)CN2N=Nc3c(C(=O)N)ncn3C2=O	266
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)C(OCC)=O)=O)c4c(cccc4)Br	266
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(=O)N6CC(C6)C(=O)OC)CCC3)n2	266
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)N(OC)C	267
+CC(C)(C)OC(=O)N1CCC(CC1)CN(c2cccc(Cl)c2)C(CC)=O	268
+c1cc(ccc1CC(C)NC(=O)C)Br	269
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O	270
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O	271
+C1C(CC(NCC(N)=O)=O)CC(C)CC1	272
+CC(C)(C)OC(N1CCCCC1C(=O)NC(Cc2cnc(cc2)Br)C(=O)N)=O	273
+CC(C)(C)OC(NC(C1CCCCC1)C(=O)NC(C(=O)N)Cc2cnccc2)=O	273
+CN(C)C(=O)C(Cc1ccc(cc1)-c2ccccc2)NC(=O)C3(CCCC3)CC(=C)Cl	274
+O=S(=O)(C)CCC(Cc1cccc(C#N)c1)(C(=O)NCC(NCc2sc(C#N)cc2)=O)NC(=O)OC	274
+c1cccc2-c3ccccc3C(c12)COC(=O)NCC(=O)NC(Cc4ccccc4)C(NCC(=O)O)=O	275
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C(=O)NC(CCCNC(=O)N)C(=O)O	276
+CC(C)(C)OC(C(C1C(CC)CCN1)N2CCCC2C(=O)NC(CCSC)C(=O)OC)=O	277
+CC(C)CC(C(=O)NC(C(OC)=O)CCC(NCCCN=[N+]=[N-])=O)NC(C(NC(=O)OCc1ccccc1)CC#C)=O	277
+c1cc(ccc1CN2CCN(CC2)c3ncccn3)CNC(CC)=O	278
+CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O	279
+C1CC(CCN1C2CC3(C2)CN(C(=O)OCC)CC3)C(=O)NC4(CCC4)C	280
+CC(C)CC(c1csc(n1)-c2ccccc2)C(=O)NCC#N	280
+C1CN(CCC1OC(=O)NC2(CCCCC2)C(=O)NC(C(C(NC3CCCCNC3=O)=O)O)C(C)C)C(OC)=O	281
+CC(C)(C)OC(=O)NCC(N1CCC(CC1)(C(=O)NCc2c(cccn2)C)CO)=O	282
+c1cccc2[nH]cc(CNC(C3N(C(=O)C(C)N4Cc5ccccc5C4=O)CC(O)C3)=O)c12	282
+C1CN(CCC1OC(=O)NC2(CCCCC2)C(=O)NC(C(C(NC3CCCCNC3=O)=O)O)C(C)C)C(OC)=O	283
+C1N(c2nc3c(ncnc3cc2)N)CCCC1NC(=O)CCOC	283
+c1cc(ccc1C(NC2(CC2)C(NC3c4n(-c5c(cccc5)CC3)ccn4)=O)=O)F	284
+CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O	285
+c1cc(ccc1)COC(=O)CC2(CCCC2)C(NC(c3nnn[nH]3)Cc4ccc(cc4)-c5cc(Cl)ccc5)=O	286
+c1cc(ccc1C#N)CCNC(Cn2cnc3N(C(N(C)C(c23)=O)=O)C)=O	286
+c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2	286
+C1CN(CCC1Nc2ccc(N3CC(CNC(=O)C)OC3=O)cc2F)C(=O)OCc4ccccc4	287
+C1CC(CCC1)NC(C2(CC2)c3c(F)cc(cc3)Br)=O	288
+C(C)C(CC)CNC(=O)CN1C=CC=C(NC(=O)OCc2ccccc2)C1=O	289
+CC(C)(C)OC(NCCOCCOCCNC(=O)COc1c(OC)cc(C=CC(=O)OC)cc1)=O	289
+O=S(=O)(NCCC(=O)NC(c1cncn1C)(C)c2ccc(c(F)c2)C#N)c3cc(OC)ccc3	290
+c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2	290
+c1cc(ccc1F)-c2oc(C)c(CC(NCC3CN(C(c4cc(Cl)c(Cl)cc4)=O)CCO3)=O)n2	290
+n1c(n(Cc2c(F)cccc2Cl)c3C(N(C(=O)N(c13)C)C)=O)N4CCCC(C(NCCO)=O)C4	290
+c1ccccc1-n2nc(cc2OCC(=O)N3C(CCC3)C(NCCF)=O)C(OCC)=O	291
+C1CCCCC1CNC(=O)NNC(CCN2CCN(CC2)c3ccccc3OC)=O	292
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)NC(=O)C4C(C(=O)NO)CC5(CC5)CN4C	293
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C	294
+c1cc(ccc1)C=2C=CN(CCC(C)(S(=O)(=O)C)C(NO)=O)C(=O)C=2C	294
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C	295
+c1cc(ccc1)C=2C=CN(CCC(C)(S(=O)(=O)C)C(NO)=O)C(=O)C=2C	295
+C1CC1C#Cc2cc(no2)CCC(S(=O)(=O)C)(C)C(NOC3CCCCO3)=O	296
+c1cc(ccc1)C=2C=CN(C(=O)C=2C)CCC(C)(C(NOC3CCCCO3)=O)S(=O)(=O)C	296
+CC(C)(C)OC(=O)NC1(CC1CC)C(NS(=O)(=O)OC2(CC2)C)=O	297
+c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl	298
+c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F	299
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3	300
+C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C	300
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3	301
+C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C	301
+C1CCCC1CC(C(Nc2ncc(Br)cc2)=O)c3ccc(c(F)c3)-n4c(nnn4)C	302
+FC(F)(F)C1N(c2ncc(cn2)-c3cccc(NC(C(C)n4cnc5N(C)C(=O)N(C(=O)c45)C)=O)n3)CCC1	303
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(c3)-c4cccc(C(=O)NC(C)(C)C(Nc5noc(C)c5)=O)c4)o2	303
+c1cc(ccc1)C(c2cc3[nH]nc(-c4ccccc4)c3cc2)C(C)(C)C(=O)Nc5sccn5	304
+FC(F)(F)c1cc(ccc1)S(=O)(=O)CCSc2c(NC(Cc3c(cccc3)OC)=O)cccn2	305
+CC(C)(CC)c1ccc(OC(C(=O)Nc2cc(O)c(cc2)NC(=O)C(F)(F)C(Cl)F)CC)c(c1)C(C)(C)CC	306
+CC(C)(CC)c1ccc(OCC(=O)Nc2ccc(cc2)Nc3cc(ccc3)O)c(C(C)(C)CC)c1	306
+O(CC)C(=O)C(C(OCC)=O)CC(c1ccc(cc1)-c2ccc(cc2)NC(CCCC)=O)=O	306
+c1(c[nH]c2c1cc(cc2)NC(CCCCC)=O)Cc3c(cc(cc3)C(=O)OC)OC	306
+c12c(-c3c(c4c(cccc4)c(n3)O)C1)ccc(NC(=O)CCl)c2	306
+c1cc(ccc1N2CCc3cc(ccc3C2Cc4ccc(cc4)OCc5ccccc5)OC)NC(=O)C	306
+c1cc(ccc1NC(=O)CCCl)Nc2nc(c(cn2)Br)Nc3ccccc3	306
+c1cc(ccc1NC(N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2)=O)NC(C)=O	306
+n1cc(-c2cc(NC(CC)=O)ccc2)nc3ccccc13	306
+O=S(=O)(Nc1scnn1)c2ccc(cc2)NC(=O)CCCCCCCCC	307
+c1cc(ccc1Cl)CN2C(C(=NN(c3cccc(NC(=O)COC)c3)C2=O)OC)=O	307
+CC(C)(C)C(=O)OCn1nc(N2C(C(C(O)C(Nc3ccc(cc3C(N)=O)I)=O)OCC2)=O)cc1	308
+c1ccccc1CCC(C(NC(CC(C)C)C(Nc2ccccc2)=O)=O)CSC(C)=O	308
+c1c(-n2ccnc2)cccc1NC(C)=O	309
+c1c(C)c(c(cc1-c2nc3ccc(cc3c(O)n2)NC(C)=O)C)O	309
+c1cc(ccc1Br)CN(c2ccc(cc2)NC(=O)C)n3cnnc3	309
+c1cc(ccc1C=2c3c(CC(NN=2)=O)cc4OCOc4c3)NC(C)=O	309
+c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl	309
+c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F	309
+FC(F)(F)C(NC(=O)C(N1CCC(C1(C)C)C(Nc2cc(c(F)c(c2)F)Cl)=O)=O)C	310
+c1cc(ccc1)NC(=O)C2CCN(CC2)Cc3ccc(cc3)-c4nc5c(cc4-c6ccccc6)cnc7n5nc(C)c7	310
+CC(C)(C)OC(=O)N1CC(OC)CC1C(=O)Nc2ccc(cc2F)-n3ccc(C)n3	311
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(Nc3c(cccc3)N)=O	311
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(Nc2ccccc2)=O)CNC(C)=O	311
+CC(C)[Si](C(C)C)(C(C)C)OCC(c1ccccc1)C(Nc2cc3c(cncc3)cc2)=O	311
+c1cc(N)c(NC(CCCCCCCNC(=O)c2c(C)[nH]c(C=NN=C3c4c(ccc(F)c4)NC3=O)c2C)=O)cc1	311
+CC(C)(C)OC(NCCC(Nc1ccc2c(n(S(=O)(=O)c3c4c(cccc4)ccc3)nc2)c1)=O)=O	312
+FC(F)(F)C(O)(C(Nc1ccc(c(OC)c1)S(=O)(=O)c2ccncc2)=O)C	312
+c1cc(ccc1OCCCCCCCCCCCCCC)CC(=O)Nc2cccc(CO)c2	313
+c12NC(Cc1ccc(c2)-c3cc(OCC)ccc3)=O	314
+C1OC(CCC1)OCC2CCc3cc(NC(C)=O)ccc3O2	315
+O=S1(=O)CCCN1c2ccc(cc2)NC(=O)C(CCC)Oc3cccc(-c4noc(n4)C)c3	316
+C1CC(CCO1)CC(C(=O)N(C)OC)c2nn(C)c(SC)c2	317
+c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3N2C(C3(Br)C(c4cc5COCCn5n4)OC(C)=O)=O)=O	318
+c1cc(ccc1CN(Cc2n(ccn2)C)Cc3[nH]ccn3)CN(CCC(=O)OCC)CCCCN(CCC)CCC	319
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(Cc4ccc(cc4)C)c(cc3c2)COC(C)=O	320
+Brc1cccc(Br)c1COC(C)=O	321
+C(OC(=O)C)c1c(Br)c(C)cc(OC(=O)C)c1	321
+CC(C)(O)c1ccc2c(CCN(C2=O)c3cccc(Br)c3COC(=O)C)c1	322
+CC(C)(C)OC(N1CCC2(CC1)c3n(c(cc3)C#N)-c4c(cc(COC(C)=O)cc4)O2)=O	323
+c1(Br)cc(cc(Br)c1COC(C)=O)F	324
+Cc1cc(cc(C)c1O)CC(OC)=O	325
+C(CCCCCCC(=O)OCCCCCC)C=CCCCCCCCC	326
+c1cc(ccc1)COC(COc2cc(C)c(c(c2)C)S(=O)(=O)Cl)=O	326
+C1CC(CCN1C(c2ccccc2)C(OC3CN4CCC3CC4)=O)C(N)=O	327
+C1CC(=O)N(C1=O)OC(CCCOc2cc3c(C(CCCN(C)C)c4c(cccc4)CC3)cc2)=O	328
+CC(C)C(c1cc(C)ccc1OC)CCC(=O)O	329
+C1N(CC1SC(=O)C)c2scc(C(=O)NC3CN(CC3)C(=O)OCc4ccc(cc4)[N+]([O-])=O)n2	330
+CC(C)(C)OC(NCC(SC(C)=O)C)=O	331
+c1cc(ccc1C(Cc2c(ccc(-c3sccc3)c2)OC)=O)F	332
+CC(C)(C)OC(=O)N1CC(C(c2cc(F)c(Cl)cc2)=O)CC1	333
+c1cc(ccc1CC(=O)c2ccc(cc2)F)SC	334
+CCC(c1cccnc1F)=O	335
+n1ccc2cccc(c2c1)C(=O)C	336
+C1CCCCN1c2ccc(cc2)C3(OC)OC3(C)C	337
+CC1(C)c2ccc(NC(=O)C)cc2NC(C1)=O	338
+COc1cc2CC3(C(=CC(=O)CC3)c2cc1)C	339
+c1c(c(c2c(c1)C3=CC(=O)CCC3(CCCC)C2)C)OC	339
+CC1(C)CC2(CC1)CNC(=O)C2	340
+O=S(=O)(c1ccc(c(Cl)c1C=2CC(ON=2)C)C(=O)OC)C	341
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=4CC(ON=4)C(OC)OC	342
+c1ccccc1C(c2ccccc2)C3OC3	343
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(C3=C(N(CC(C)(C)O)N(c4ccccc4)C3=O)C)=O	344
+c1ccccc1N2N(C(=C(C(Nc3cc(F)c(O)cc3Cl)=O)C2=O)C)C	345
+COc1ccc(CCBr)c([N+]([O-])=O)c1	346
+C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O	347
+C1CC(CCC1CCCCC)CBr	347
+C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O	348
+n1c(c2c(nc1NCc3ccc(c(Cl)c3)Cl)ncn2CCCCBr)O	349
+C(CCCCCCCCCCCCBr)CCCCOC(C)=O	350
+O=S1(=O)CCC(CC1)CCBr	351
+C(OC)(=O)NC1(C(CC#N)C1)c2cc([N+]([O-])=O)ccc2	352
+CC(C)(n1ncc(c1)-c2ncnc3c2cc[nH]3)CCC#N	352
+CC1(C)C(Cl)(Cl)C1CC#N	352
+C[Si](C)(C)CCOC(C(CC)c1c(I)cccc1)=O	353
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2ncnc3sc4CCC(CC(CC)O)c4c23	354
+CC(C)C(c1cc(C)ccc1OC)CCC(N)=O	355
+CC(C)(C)[Si](C)(C)OC1C(C(c2cnccc2)OC1)CCC(=O)OC	356
+C(CCCCCCCC(OC)=O)CCCCCCCCC(CC)C	357
+C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC	357
+C(CCCCCCCC(OC)=O)CCCCCCCCC(CC)C	358
+C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC	358
+c1cc(ccc1C2CCC(CC2)CCCCCOC)Cl	358
+CC(C)(CC=C)CCO	359
+c1cc(ccc1S(=O)(=O)n2c3ccc(cc3c(C4C(CCO)C4)c2)C#N)C	360
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)CCCO)cnc23	361
+c1ccccc1-c2ccc(cc2)CCCCCO	361
+c1cc(ccc1C2CCC(CC2)C(=O)OC)CCC3CCC(CC3)CCC	362
+c1cc(ccc1Cl)-c2c(ncc(C(=O)NC3CCCCC3O)c2)CCCOC	363
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(Cl)cnc(CCCO)c4	364
+c1ccc(CCC)cc1OCOC	365
+c1nn(c2c1C(CCCl)CCC2)-c3cc(c(cc3)Cl)Cl	366
+c1ccccc1OCCCCC(CCl)C	367
+c1ccccc1OCCCCC(CCl)C	368
+C(OC(=O)CCOCCCl)C	369
+CC(C)(C)OC(Nc1ccc(CCI)nc1)=O	370
+FC(F)(CI)c1ncc(cc1)C	370
+FC(F)(F)CCC(c1cccc(c1)Cl)CI	371
+C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O	372
+C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O	373
+ICC(COCCCCCCCC)OCCCCCCCC	373
+CC(C)(C)[Si](C)(C)OC(Cc1cc(-c2ccccc2)ccc1)CCC3CCC(N3CCCc4ccc(cc4)C(=O)OC)=O	374
+CC(C)(C)OC(N(C1CCN(CC1)C(OCc2ccccc2)=O)CCNC(OC(C)(C)C)=O)=O	375
+CC(C)(C)OC(N(C1CCN(CC1)Cc2ccccc2)CCP(OCC)(OCC)=O)=O	376
+C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O	377
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(Cc2ccc(cc2)Cl)CCN(CC)CC	378
+C1CN(CCN1CCOc2c(cc3c(c(Nc4cc(ccc4)Br)ncn3)c2)OC)CC(=O)OCC	379
+c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O	380
+c1cc(ccc1C)NC(CC2(NC(Nc3cccc(c3)OC)=O)C(N(c4ccccc24)CCN(C)C)=O)=O	381
+C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC	382
+C1CN(CCC1(CN2CCN(CC2)Cc3ccccc3)c4ccccc4)C	383
+C1CN(CCN1c2ccccn2)CC3CCCC4(OCCO4)C3	383
+c1cc(ccc1C#N)-c2nnn(Cc3cc(C(=O)Nc4sc5CC(CCc5n4)N(CCOC)C)ccc3)c2	384
+C(CN1CCC2N3c4c(C2C1)cc(-c5c(c(Cl)ccc5)Cl)cc4CCC3)C	385
+C1CC(CCC1N(CCCOc2c(Cl)cc(c(c2)OC)CO)C)OC(C(c3cccs3)(c4cccs4)O)=O	385
+c1cc(ccc1CC=2c3c(cccc3)C(N(N=2)CC4CCCN4CCN5C(c6c(C5=O)cccc6)=O)=O)Cl	385
+C1N(CC1(O)c2cc(cc(F)c2)Cl)CC	386
+C1CCCN1c2c3c4ccccc4n(c3nc(N5CCCC5)n2)CCN6CCCCC6	387
+C1CN(CCN1c2ccc(cc2)OCCOC)CCN3C4N=C5N(N)C=NC(=C5N4N(C)C3=O)c6ccco6	387
+C1CN(CCO1)CCCCn2cnc3nc(NCc4ccc(c(Cl)c4)Cl)nc(O)c23	387
+C1CN(CCO1)CCCc2cc(c3n2ncnc3N)Br	387
+CC(C)(C)OC(NC(Cc1cnccc1)CN2CCC(CC2)C(c3ccc(cc3)F)=O)=O	387
+CC(C)(C)OC(NCC(CN1CCC(CC1)Oc2ccc(cc2)F)NC(OCc3ccccc3)=O)=O	387
+CC(C)(C)n1nc(CCCN2CCN(CC2)c3ccc(cc3)Cl)cc1-c4ccc(cc4)Cl	387
+c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O	388
+CC(C)(C)OC(NC(C(NC1C(O)CN(CCC)C(CC1)C)=O)CC2CCCCC2)=O	389
+FC(F)(F)c1ccc(cc1)C23CN(CCCN4C=C(C(=O)NC4=O)c5c(F)nc(C)cc5)CC2C3	390
+C1CCCN(CC1)CCC2CCCc3n(ncc23)-c4ccccc4	391
+C1COCCN1CC2Cc3ccccc3CN2C(=O)OCc4ccccc4	391
+CC(C)(C)[Si](C)(C)OCc1cccc(n1)CCCN2CCOCC2	391
+CC(C)(Sc1cc2sc(N)nc2cc1)CN3CCCC3	391
+C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F	392
+CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCC(CC2)Oc3c(cc(F)cc3)C#N	393
+c1cc(ccc1)C2CCN(CC2)CCC3c4cnn(-c5cc(c(cc5)Cl)Cl)c4CCC3	393
+c1cc(ccc1S(=O)(=O)n2c(cc3c2nccc3)-c4c5c(n(c4)CCN6CCOCC6)cc(c(OC)n5)OC)C	394
+C1C(CN1CC2Oc3c4ccc(C)nc4ccc3OC2)Cc5cn(c6c5cc(F)cc6)C	395
+C1CC(CCN1CCC2CCC(CC2)NC(=O)C)C(=O)c3ccc(F)s3	395
+C1CCCN1CC2(CCN(CC2)c3ncnc4nc[nH]c34)c5cccc(-c6cnn(C)c6)c5	395
+C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC	395
+C1CN(CCN1CCc2c(cccc2)[N+]([O-])=O)c3nsc4c3cccc4	395
+C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F	395
+C1CN(CCN1CCn2ccc3c4nc(-c5occc5)nn4c(nc23)N)C(Cc6ccc(cc6F)F)=O	395
+C1CNCCN1CCOc2c(cc(F)cc2)F	395
+C1COCCN1CCc2sc3c(c2)c(N)nc(-c4cccc(C#N)c4)n3	395
+CC(C)(C)OC(N1CCN(CC1)CCCCc2cn(c3c(nc(CCCC)nc23)N)COCc4ccccc4)=O	395
+CC1(C)Oc2c(c(CCN3CCC(CC3)C(=O)OCC)ccc2)CO1	395
+CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O	395
+CN(C)CCCn1c2c(ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)c2)nc1	395
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1	395
+FC(F)(F)C(N(c1ccc(CCC(OCC)=O)c(F)c1)Cc2ccc3c(c2C)N(CCN4CCCCC4)CCC3)=O	395
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4nc(CC(F)(F)F)cn4CCN5CCC5	395
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(c(OC)c3)C=4NOC(=O)N=4)c(n2)CCCN5CCC5	395
+c12c(OC(CO1)CN3CC(Cc4c[nH]c5cc(F)ccc45)CCC3)c6c(nc(cc6)C)cc2	395
+c1cc(ccc1)C2=CN(C(c3ccccc23)=O)CCCN4CCCCC4	395
+c1cc(ccc1)C2CCN(CC2)CCC3c4cnn(-c5cc(c(cc5)Cl)Cl)c4CCC3	395
+c1cc(ccc1)CN2CC3CCC(C2)C3N(C)CCCC(c4ccc(cc4)C#N)Oc5ccc(c(OC)c5)OC	395
+c1cc(ccc1OCc2ccccn2)-c3nc(CCN4CCCC4)c(C)o3	395
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1	396
+CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O	397
+c1cc(ccc1)C(C)(CN(C)S(=O)(=O)c2ccccc2)CC=C(C)C	398
+FC(F)(F)c1cc(c(cc1)N(CC)CC2CCC(CC2)CC(=O)OCC)C=O	399
+FC(F)(F)c1cc(c(cc1)N(CC)CC2CCC(CC2)CC(=O)OCC)C=O	400
+c12c(cccc1)C(=O)N(C2=O)CCCCC=C	401
+c1ccc2c(c1)C(=O)N(C2=O)CC3CS(=O)(=O)N(C3)CC	402
+c12c(cccc1)C(=O)N(C2=O)CCCc3ccc(cc3)CCCCC	403
+FC(F)(F)COc1ccc(cc1N2CCNCC2)F	404
+CC(C)(C)OC(N(C(CCN1c2c(N(c3c(F)cccc3)S1(=O)=O)cccc2)c4ccccc4)C)=O	405
+c1c2c(CC(N(CCCNC(=O)Cc3cc(OC)c(OC)cc3[N+]([O-])=O)C)CC2)cc(c1)OC	406
+C1CCC(C1)C(=O)NCCn2c3CCN(Cc3c4cc(ccc24)C)C	407
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	408
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	409
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CCNC(=O)c3cccnc3	410
+CC(C)(C)OC(=O)N1CC(C1)(CNC(=O)c2c(ccc(F)c2Cl)F)C3CCCCN3C	411
+CC(C)(CNC(c1ccc(c(Cl)c1)Cl)=O)NCCC=C	411
+CN(C)C(C)(CCCC)CNC(=O)c1ccc(c(Cl)c1)Cl	411
+CC(C)(C)OC(=O)N(C)C(CNC(=O)c1cccc(C(OCCNC(OC)=O)c2cc(Cl)ccc2)c1)CC3CCCOC3	412
+CC(C)(C)OC(=O)NC(CNCC(Cn1c2ccc(F)cc2c3c1ccc(F)c3)O)C	413
+CC(C)(C)OC(N1CCN(CC1)C(c2c(cccc2)F)CNCC(CC)CC)=O	414
+c1cc(ccc1Nc2ncc(cc2)C(=O)N)CCNCc3ccccc3	415
+CC(C)(C)OC(=O)NC(CO)CNCCN	416
+C1CC(CCC1CNCC)CC(=O)OCC	417
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CNCC(F)(F)F)=O)cnc12	418
+CC(C)(C)OC(=O)N1C(CC2CCCC12)CNCc3ccccc3	419
+CC(C)(C)OC(=O)N1C(CNCc2ccccc2Cl)(CCC1)C	419
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CNCC(F)(F)F)=O)cnc12	419
+c1(Cl)cc(cc(Cl)c1NCC(OCC)=O)CCNC(C(c2ccc(cc2)O)O)C	419
+c1cc(ccc1)CCOCCC(N(C)CCNCC(O)c2c3SC(=O)Nc3c(OCc4ccccc4)cc2)=O	420
+c1cc(ccc1)CCOCCC(N(C)CCNCC(O)c2c3SC(=O)Nc3c(OCc4ccccc4)cc2)=O	421
+FC(F)(F)c1cc(-c2[nH]c(nc2)C3CCC(CC3)CNCC)ccc1	422
+C1CN2CCC1C(NCCc3n(C)c4ccccc4c3)C2	423
+FC(F)(F)Oc1ccc(cc1)CNCC	423
+C1CN2CCC1C(NCCc3n(C)c4ccccc4c3)C2	424
+c1cc(ccc1C(OCC)=O)-c2cc(-c3ccc4C(C)(C)CCC(C)(C)c4c3)c(cc2)OCCCNC5CC5	425
+CC(C)(C)OC(NC(C(O)CNCc1cc(ccc1)OC)Cc2cc(F)cc(F)c2)=O	426
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(C)c(OCCNCCO)c(CC)c4)c2)OC	427
+C1c2ccccc2CC1NCCCC3N(CCCC3)Cc4ccccc4	427
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)CNCCO	427
+c1cc(ccc1CCNC)-n2c3c(c(C)cc(C)n3)nc2CC	427
+O=S(=O)(NCCOc1c(cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)cc1Br)OCC)C	428
+n1cccnc1NCCN2CC(O)C(CC2)NCc3ccccc3	429
+CC(C)(C)OC(N1CCC(CC1)(CCCNc2ccc(nc2C)N3CC(CC3)N4CCCC4C)C(=O)OCC)=O	430
+C[Si](C)(C)CCOCN1C(c2cc(ccc2N=C1n3ncc(C(OCC)=O)c3)NCC)=O	431
+CC(C)(C)OC(=O)NC(CN=[N+]=[N-])CCC(OC)=O	432
+C(C)(=O)CC(C(O)CN=[N+]=[N-])O	433
+CC(C)(C)OC(=O)NC(CN=[N+]=[N-])CCC(OC)=O	433
+CC(C)(C)OC(N1CC(CC1CN=[N+]=[N-])O)=O	433
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(N3C(=O)OC(CN=[N+]=[N-])C3)cc2)F)=O	433
+[N-]=[N+]=NCCCCC#C	433
+[N-]=[N+]=NCCCC1NC(c2[nH]c3c(cc(OC)cc3)c2C1)=O	434
+FC(F)(c1ccc(C)cn1)CN=[N+]=[N-]	435
+C(C=CCC=CCCCCC)C=CCC=CCCCCN=[N+]=[N-]	436
+CC(C)(C)OC(=O)N1CC(CC(CN=[N+]=[N-])C1)N2C(c3c(noc3C)-c4c(Cl)cccc24)=O	437
+CC(C)(C)OC(=O)N1CC(CC(CN=[N+]=[N-])C1)N2C(c3c(noc3C)-c4c(Cl)cccc24)=O	438
+CC(C)(C)OC(NC(CC1CCCOC1)CN=[N+]=[N-])=O	438
+Cc1ccccc1-c2c(ccc3CC(CN=[N+]=[N-])Oc23)F	438
+FC(F)(c1ccc(C)cn1)CN=[N+]=[N-]	438
+O=S(=O)(C)c1cc(C(CCN=[N+]=[N-])NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)ccn1	439
+CC(C)(C)OC(C1CC2(CCC1(CC2)CN)CN)=O	440
+CC(C)(C)OC(=O)NC(CN)C	441
+CC(C)(C)OC(C1CC2(CCC1(CC2)CN)CN)=O	441
+FC(F)(c1ccc(C)cn1)CN	442
+C(C=CCC=CCCCCC)C=CCC=CCCCCN	443
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	444
+C1COCCN1CCCN2C=3c4cc5OCOc5cc4C(C=3c6c(cc(c(OCCCN)c6)OC)C2=O)=O	445
+NCCc1cc(Cc2cccnc2)cc(CCC(OCC)=O)c1	446
+c1cc(ccc1SC(C#N)(CCCCCN)c2ccc(OC)c(c2)OC)C	447
+FC(F)(c1ccc(C)cn1)CN	448
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	449
+O=S1(=O)N(CC(CN)C1)CC	450
+c1cc(ccc1CCCN)CCCCC	451
+CC(C)(C)OC(N1CCC(CC1)(CN)F)=O	452
+O=S1(=O)N(CC(CN)C1)CC	452
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	453
+CC(C)(C)OC(NC(CC1CCCOC1)CN)=O	454
+C(C=CCC=CCCCCC)C=CCC=CCCCCN	455
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	455
+CC(C)(C)OC(NC(CC1CCCOC1)CN)=O	455
+CC(C)(C)OC(NC(COC)CN)=O	455
+Cc1ccccc1-c2c(ccc3c2OC(CN)C3)F	455
+FC(F)(c1ccc(C)cn1)CN	455
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	456
+O(CC)P(OCC)(CCOCCN)=O	457
+O=S(=O)(c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCN)C	458
+O=S(=O)(c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCN)C	459
+Cc1ccccc1-c2c(ccc3c2OC(CN)C3)F	460
+c1ccccc1COC(=O)NC(CN)COC	461
+c1ccccc1COC(=O)NC(CN)COC	462
+c1c(C)nc(CCN)cc1	463
+c1cc(ccc1CCCN)CCCCC	463
+CC(C)(C)OC(=O)NC(CCC(OC)=O)COS(=O)(=O)c1ccc(cc1)C	464
+C1OC(CCC1)OCC2Oc3c(cc(cc3CC2)F)[N+]([O-])=O	465
+CCOC(Cc1ccco1)=O	466
+c1cc(ccc1Br)-c2nc(c(C)o2)CCOCc3ccccc3	467
+C(CCCOCCCOCCCCCCCCCCCCCCCCCC)O	468
+c1cc(ccc1)C(CC=C)(COC)C	469
+C1CCC(C1)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	470
+CC(C)(C)OCCCON	471
+O=S(=O)(C)OCCCC1=C(c2ccc(C)nc2N(CC)C1=O)c3cccc(c3)Cl	472
+O=S(=O)(C)OCCCC1=C(c2ccc(C)nc2N(CC)C1=O)c3cccc(c3)Cl	473
+O=S(=O)(C)OCCC(C)(C)CC1OCCO1	474
+O1CCOC12CCC(CC2)(CC)COS(=O)(=O)c3ccc(cc3)C	475
+CC(C)(C)[Si](C)(C)OCC1C(CCN1C(=O)OC(C)(C)C)O	476
+CC(C)(C)[Si](C)(C)OCC(C)(C)c1cc(N)n(-c2ccccc2)n1	477
+CC(C)(C)[Si](C)(C)OCCC(O)C1=CC(N(C=C1)C2=CC(C)(C)Oc3c2cc(C#N)cc3)=O	477
+CC(C)(C)[Si](C)(C)OCC(C)(C)CCC#N	478
+CC(C)(C)OC(N1CC(C1)CCOc2cccc(Oc3ccc(cc3)Cl)c2)=O	479
+c1cc(-c2oc(-n3c(ncc3)C)nc2CCCCOc4c(C)cccc4)c5c(cccc5)c1F	480
+c1cc(c(c(F)c1OCCOC)C#N)I	481
+c1cc(OCCBr)cc([N+]([O-])=O)c1OCC(OC)=O	482
+CN(C)CCOc1ccc(cc1)C(Cc2ccc(cc2)Cl)=O	483
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(OCC)cc3)C1=O)N(c4ccc5nc(oc5c4)C)C	484
+c1c2n(CC)cc(c2ccc1OCC)C#N	484
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)OCCC	484
+c1cc(ccc1OCCCCCC)S(=O)(=O)N(CC(C)C)CC(=O)OCC	484
+FC(F)(F)c1cc(-c2cc3n(nnc3c(C#N)n2)C)ccc1OCC4CCN(CC4)c5cc(ccn5)C	485
+c1cccc2nc(-c3c(OCCOCCOCCOC)cc([N+](=O)[O-])cc3)sc12	486
+CC(C)(C)OC(=O)NC(COc1c(cc(N)cc1)-c2n(C)ncc2)C	487
+FC(F)(F)c1cc(-c2cc3n(nnc3c(C#N)n2)C)ccc1OCC4CCN(CC4)c5cc(ccn5)C	487
+O=C1c2c(cccc2)C(=O)N1C(COc3c4c(cncc4)ccc3)C	487
+C1CCC(C1)c2c(OCCCC(=O)OC)ccc(-c3c4c(c(Br)c5ccccc35)sc(C)c4C)c2	488
+FC(F)(F)COc1c(CC(OC)=O)ccc(c1)OCC2OC2	489
+CC(C)Oc1cc(C(=O)Nc2ncc(C(=O)OC)cc2)cc(OCC(C)C)c1	490
+CC(C)(C)OC(=O)NCCOc1ccc2c(c1)C(C(N3CCCC3)CC2)Cc4cc(c(cc4)Cl)Cl	491
+c1cc(ccc1N2CCN(CC2)c3ccncc3)OCCCC(OCC)=O	491
+c1(cccc(OCC)c1Br)C(=O)C	492
+c1cc(ccc1OCCCCc2cc(OC(=O)C)ccc2)CCN3C(OC(c4ccc5OC(C)(C)OCc5c4)C3)=O	493
+c1cc(ccn1)OCC(C2CCCCC2)n3c4c(nc3-c5ccc(cc5)Cl)cc(c(c4)F)F	493
+O=S(=O)(C)c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCO	494
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(SCCCO)cc3Oc4ccccc4)sc2	495
+C1CN(CCO1)Cc2[nH]c3c4c(C5CC(CO)CN(C#N)C5Cc24)ccc3	495
+CC(C)(C)OC(=O)N1CC(CO)C(CC1)c2ccc(cc2)Cl	495
+CC(C)(C)[Si](C)(C)OC1CCN(C1CO)C(=O)Nc2c(C)c(Cl)c(C#N)cc2	495
+CC(C)=CCCCCCO	495
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)-c3cnn(C4(CC(C4)CO)CC#N)c3	495
+c1cc(ccc1)-c2oc(c(n2)CCO)C	495
+c1ccccc1CC(=O)NC2C(N(Cc3ccc(cc3OC)OC)C2=O)CO	495
+C(CCCO)n1c2c3c(cccc3)ncc2nc1CCC	496
+CC(C)(C)OC(=O)N1CC(CC(CO)C1)N(C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C)C	497
+c1cc(ccc1)C(N2C(CC(CC(C)CO)C2)=O)C	497
+CC(C)(C)OC(=O)N(C(CCO)c1ccc(cc1)OCc2ccccc2)C	498
+c1[nH]c2c(c1CCCO)c(C)c(cc2)[N+]([O-])=O	498
+C(C)N(CC)C(c1ccc(cc1)C(CCO)c2cccc(OC)c2)=O	499
+C1C(CCC(=C1)CCCCC)CO	499
+CC(C)(C)c1cc(n(-c2ccc(cc2)CCO)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	499
+COc1ccc(CCO)c([N+]([O-])=O)c1	499
+Clc1cccc(c1)C2=C(C(N(c3nc(C)ccc23)CC)=O)CCCO	499
+O=S(=O)(c1cccc(OC)c1)NCCCO	499
+c1ccccc1OCCCCC(CO)C	499
+C1C2CCCC(CC1C(OC)=O)C2N3C(=O)C(C)(C)C(C3)CO	500
+c1(C(C(N)CO)C)[nH]cnc1	501
+CC(C)(C)OC(=O)N1CC(CO)CC(C1)N2c3cccc(Cl)c3-c4noc(c4C2=O)C	502
+C1CN(CCO1)c2c(c(c(C(OCC)=O)s2)C(c3cc(c(Cl)cc3)Cl)CCO)C#N	503
+CC(C)(C)OC(N(c1ccc(I)cc1F)C=2N(C)C(=O)C=CC=2NS(=O)(=O)C3(CC3)CCO)=O	503
+CC(C)c1c(cc2OCOc2c1)CCO	504
+c1cc(ccc1Br)-c2nc(c(o2)C)CCO	505
+O=S(=O)(C)OCC(CCCCC)c1c2OCOc2ccc1	506
+CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O	507
+CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O	508
+O=S(=O)(C)OCCCC1Cc2c(C(=O)N1)[nH]c3ccc(OC)cc23	509
+c1ccccc1COC(=O)NC(COS(=O)(=O)C)COC	509
+O=S(=O)(C)c1cc(C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CCOS(=O)(=O)C)ccn1	510
+c1c(C=2C(NC(=O)C=2c3cn(C)c4ccccc34)=O)c5c(cccc5)n1CCCS(=O)C	511
+CC(C)(C)OC(N1CCC1COc2cnc(Cl)c(c2)CC)=O	512
+CCCCCCCCCCCCc1sccc1	513
+C1CC2(CCN1Cc3ccccc3)Cc4c(C2)ccc(OC)c4	514
+C1N(CC=C(COc2ccccc2I)C1)C	515
+O1CCOC12CCC(c3cc(F)c(F)cc3F)=CC2	516
+c1cc(C=2CCC(CC=2)C=C)c(c(F)c1OCC)F	516
+C1C(c2cccc(c2F)F)=CCC(CCCCC)C1	517
+C1CC1CN2CCN(CC2)c3c(C=4CC(C)(C)CC(C)(C)C=4)cccc3	518
+c1cc(ccc1)CC(O)C=CC2N(CCCCCl)C(CC2)=O	519
+c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2	519
+CC(C)(C)[Si](C)(C)OC(CCCC(C=CC1C(OC2CCCCO2)CC(Cl)C1CCCc3ccc(C(OC)=O)s3)O)C	520
+c1cc(ccc1)CC(O)C=CC2N(CCCCCl)C(CC2)=O	520
+c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2	520
+c1cc(ccc1)CC(=O)C=CC2CCC(N2CCCCCl)=O	521
+c1cc(ccc1)CC(=O)C=CC2N(CCCCOCC(=O)OC)C(CCC2)=O	521
+C(CCCCCC(OC)=O)CCCCCCCCC=CC(CC)C	522
+O(C)c1c(cc(C(=O)OC)cc1OC)CCC=CCC	522
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F	523
+c1ccccc1COc2cc3C=CC(C)(C)Oc3cc2	524
+c1ccccc1COc2cc3C=CCc3cc2	524
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F	525
+CC(C)(C)OC(=O)N1CCC(C1)C=C	526
+CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C	527
+c1ccccc1COCC(OCC=NO)CC=C	528
+CC(C)(C)OC(NC(Cc1ccccc1)(C)C=NO)=O	529
+CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C	529
+FC(F)(F)C(C=Nc1cc(cc2c1cnc(C)n2)F)(CC(c3cccc(c3OC)F)CCC)O	530
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=O)F	531
+CC12C3CCC4(C(CCC4C=O)C3CCC1CC(C)(O)CC2)C	531
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1	532
+CC(C)(C)OC(NC(CCCC)C=O)=O	533
+CC(C)(c1c2c(ccc1)CCO2)CC=O	533
+c1cc(ccc1)CC(C=O)NC(OCC)=O	533
+CC(C)(C)OC(NC(C=O)C(C)C)=O	534
+CC(C)(COc1ccc(cc1)OC)C=O	534
+COc1c(cc(F)c(c1)CC=O)C#N	534
+c1c(OC)c(c(cc1CC=O)OC)OCc2ccccc2	534
+C1CC(CCN1OC)CC=O	535
+CC(C)(C)OC(=O)CC1CC(C(N(C(CC)C=O)C1=O)c2ccc(cc2)Cl)c3cc(Cl)ccc3	535
+c1(C(C=O)C)ncccc1Cl	535
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCC=O)c1	535
+c1cc(ccc1F)C(C)(C)CCC=O	535
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1	536
+C1OC(CCC1)OCC(C)C=O	537
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)C=O)=O)cnc12	538
+CC(C)(C)OC(=O)N1CC(CC1C)c2ccccc2	539
+c1cc(ccc1)COC(N2CC(CC)C(C2)N=[N+]=[N-])=O	540
+c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O	541
+c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O	542
+CC1(C)Cc2c(OC)cccc2C1N3CCCCC3	543
+C1CC2(CCC1OC)Cc3cc(c(Br)cc3C2=N)F	544
+CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(cc1)Oc2cc3c(COC3)cc2)C	545
+c1cc(ccc1OCC(=O)Nc2c(C(=O)OC)cc(cc2)Br)C#N	546
+CC1CN(CC(C)O1)C2CCN(CC2)CC34c5c(cccc5)C(C3)c6c4cc(cc6)Cl	547
+C1C(CC1)N2CCc3c(cc(Oc4c(cc(cc4)I)F)cc3)CC2	548
+c1cc(ccc1-n2nc3CCN(CCc3c2)C4CCC4)NS(=O)(=O)C	549
+CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4	550
+CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4	551
+C1CC(CCN1C(C)=O)C(=O)Nc2cc(ncn2)-c3ccccc3OCC	552
+c1cc(ccc1CC(C)(C)C(N2CCCC(CNC(=O)Nc3cc(-c4n(nnn4)C)ccc3)C2)=O)F	553
+c1cc(ccc1C2(CCC2)C(N3CC(CO)CCCC3)=O)Cl	554
+C1CN(CCN1C)C(c2cccc(c2)Br)c3ccc(cc3)Cl	555
+FC(F)(F)C(=O)N(C(C)c1ccccc1)C2CCC3(OCCO3)CC2	556
+C1CC(CCN1C)N(C(=O)Cc2ccc(OC)c(O)c2)Cc3ccc(cc3)C	557
+C1CN(CCC1C)C(Cc2ccc(cc2Cl)[N+](=O)[O-])=O	558
+CC(C)(C)OC(NC(Cc1ccc(c(F)c1)Cl)C(N2CCN(CC2)c3c4c(ncn3)CSC4CC)=O)=O	559
+c1cc(ccc1F)-c2nc(n(CC(=O)N3CCN(CC3)c4cc(OC)ccn4)n2)-c5ccc(cc5)F	559
+C1C(CN1C(=O)CCOCCc2ccc3c(ccs3)c2)O	560
+FC(F)(F)c1ccnc(COCC(=O)N2CC(NC(OC(C)(C)C)=O)CC2)c1	560
+c1cc(ccc1OCC(=O)N2CCCC(C(OCC)=O)C2)-c3ccc(cc3)C#N	560
+c1ccccc1COC(=O)C2OCCN(C2)C(CCl)=O	561
+C1CN(CCC1COc2cc3ncnc(c3cc2OC)Nc4c5c(ncc4Cl)OCO5)C(CN(C)C)=O	562
+CC(C)(C)C(C)C(=O)N1CCC(CC1)c2c3c(ncc(NC(=O)c4cccc(C#N)c4)c3C)n(C)c2	562
+c1cc(ccc1C(C)C)CC(N2CCN(CC2)c3c(c(ncn3)N)C=NOCC)=O	562
+C1CC(CCC1C(=O)N2CCNCC2)CN3C(N(c4ccccc4C3=O)C)=O	563
+C1C(CC1)(C(=O)N2CCC(Nc3cc(c4cc(OC)ccc4n3)C)C2)c5ccc(cc5)Cl	564
+C1CC(CCN1C(=O)C2CCN(CC2)C(=O)C)N(CCC)C3Cc4c(CC3)ccc(OC)c4	564
+C1CC1(C#N)C(=O)N2CCC(C)C(N(c3c4c([nH]cc4)ncn3)C)C2	564
+c1cc(ccc1Cl)C2CN(CCC2C(Nc3ncc(cc3)C#N)C)C(C4CCN(CC4)c5ccc(cn5)C#N)=O	564
+C1CC(CCC1C(=O)N2CCC(CC2)N(C)C)Nc3nc(ccn3)-n4ccc5c4cccc5OCCCS(=O)(=O)C	565
+CC(C)(C)OC(N(Cc1c(F)cc(cc1)F)C2CN(Cc3ccccc3)C(C(=O)N4CCN(CC4)c5ccc(cc5)C(C)=O)C2)=O	566
+C1CN(CCN1C)C(=O)CCc2cccc(c2)O	567
+FC(F)(F)c1ccc(cc1)CNC(=O)N2CC(c3cc(ccc3)OC(C)(C)C(OCc4ccccc4)=O)CCC2	568
+C1CN(CCC1Nc2ncc(C(=O)OC)cc2)C(Nc3ccccc3)=O	569
+C1CN(CCN1C)C(=O)Nc2cccc3nc(ccc23)NC4c5c(CC4)cccc5	570
+n1cc(cnc1NCC2CCN(CC2)C(=O)OCc3ccccc3)-c4ccc(cc4)S(=O)(=O)C	571
+C1CN(CCC1(c2c(C)cccc2)C#N)C(OCC)=O	572
+c1cc(ccc1)COC(=O)N2CC3C(=O)CCC3C2	573
+c1cc(ccc1Br)OC(N2CCc3c(O)nc(nc3C2)C)=O	573
+CC(C)(C)OC(=O)NCCN(C1CCC(CC1)(O)CC(OCc2ccccc2)=O)C(OC(C)(C)C)=O	574
+CC(C)(C)OC(=O)N(C1C(F)CN(C1)C(OCc2ccccc2)=O)C	575
+CC(C)(C)OC(=O)N(C1c2c(cc(cc2)C#N)OCC1)C	575
+CC(C)(C)OC(N1CCCC(N(C(=O)CC)c2ccccc2)C1)=O	576
+C1CN(CCN1C)C(=O)c2ccc3CN(c4c(cccc4)Cn23)C(c5ccc(cc5)C6CCCCC6)=O	577
+c1cc(ccc1S(=O)(=O)N(C)Cc2c(Cl)c(C(=O)N3CC(C(NCc4onc(C)n4)=O)Oc5ccccc35)sc2)Cl	578
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CC2)C(=O)c3ncn(-c4ccc(cc4)S(=O)(=O)C)c3	579
+FC(F)(F)c1cc(-c2occc2)cn3c(Cl)c(C(N4C(CN(C)CC4)c5ccccc5)=O)nc13	580
+C1CN(CCN1C(c2n[nH]c(-c3cnc(nc3)Oc4ccccc4)c2)=O)C	581
+C1CC1c2cccc(n2)C(N3CCN(C(OCc4ccccc4)=O)C(C)(C)C3)=O	582
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)C(=O)c3ccccc3	583
+c1cc(ccc1Nc2nc3-n4c(N(C(=O)c3cn2)c5c(cccc5Cl)Cl)ncc4)C(=O)N6CCC(CC6)N(C)C	584
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(C(N5CCC(OC)C5)=O)ccc4c(S(C)=O)c3	584
+CC(C)(C)OC(N1CCN(CC1)C(c2cc(nc3c2c(nn3C4CCCCO4)I)Cl)=O)=O	585
+CC(C)(C)OC(NC1C2C1CN(C2)C(c3ccc(cc3)NC(c4ccc(cc4)F)=O)=O)=O	585
+C1CN(CCN1C)C(=O)c2ccc3CN(c4c(cccc4)Cn23)C(c5ccc(cc5)C6CCCCC6)=O	586
+CN(C)C(Cc1c(Sc2c[nH]c3ccccc23)cccc1)=O	587
+C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O	588
+CC(C)(Oc1ccc2c(c(C(=O)OCc3ccccc3)c(C)[nH]2)c1)C(N(CC)CC)=O	588
+C1(C(CC)=CN(C2CC(O)C(CN(C)C(Cc3ccccc3Br)=O)O2)C(N1)=O)=O	589
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(C)CCOC	590
+CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C	591
+CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C	592
+CC(C)(C)OC(N(Cc1ncccc1)C)=O	593
+C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3	594
+C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3	595
+CC(C)(C)OC(Nc1nc(C(N(C)C)=O)cs1)=O	596
+c1cc(ccc1)-n2nc(C(OC)=O)c(C(=O)N(C)C)n2	597
+c1cc(ccc1C(N(C)Cc2cccc(c2)OC)=O)-c3cc(ccc3C)-c4nnc(C)o4	598
+CN(C)CC(=O)N1c2ccc([N+]([O-])=O)cc2CC1	599
+CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O	600
+CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O	601
+CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2	602
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C	603
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C	604
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCN(CC)CC	604
+c1ccccc1CCCCN(C)C	604
+CN(C)CC1(CCCCC1)c2cc(c(Cl)cc2)Cl	605
+CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2	605
+CC(C)(C)OC(N1CC(NC(=O)COCCN(C)C)CC1)=O	606
+C(C)N(CC)Cc1nc2cc(c(cc2c(c1C(C)=O)-c3cc(c(cc3)OC)OC)OC)OC	607
+CN(C)Cc1cc(N)ccc1Br	608
+C1CN(CCN1c2oc(nn2)C3CCC4N(C(=O)N3C4)OCc5ccccc5)C	609
+c1cc(ccc1F)S(=O)(=O)N2CCN(CC2C(=O)OCC)C	609
+C1CN(CC1c2nnc3n2cc(cc3)F)C	610
+C1N(CCC1COC(=O)Nc2ccccc2Br)C	610
+C1C(C(CN(C(=O)OCC)C1)CC)=O	611
+c1cc(ccc1)CN(CCc2cccnc2Cl)CCO	612
+c1ccccc1S(=O)(=O)Nc2cccc(Sc3ccc4c(CN(C(N)=N4)CCC)c3)c2	613
+O=S(=O)(N(C)C(CO)C(CC)C)c1ccc(cc1)Cl	614
+C(O)CN(C)c1n(C)ncc1[N+](=O)[O-]	615
+CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(CN3CCC(CC3)CCC)=C(Cl)C=C(C2=O)Cl	616
+C1CN(CCN1CC(COc2c(OC)cccc2)O)CC(Nc3c(cccc3C)C)=O	617
+c1cc(ccc1SCCCN2CCC(CC2)c3c4c(n(c3CC)-c5ccccc5)cc(F)cc4)F	618
+FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C	619
+CC(C)(C)OC(=O)N1CCC(N(CCCCN(C2Cc3c(CC2)ccc(OC)c3)CCC)CC1)=O	620
+CC(C)(C)OC(=O)N1CCN(CC1)CCn2ncc3cc(ccc23)Oc4c(cc(cc4)F)C#N	620
+c1cc(ccc1)N2CCN(CC2)C(=O)NCCCCN(CCC)C3CCc4c(C3)scn4	621
+C1CN(CCC1O)CC23CC(c4ccc(cc24)Cl)c5ccccc35	622
+CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O	622
+CC(C)(CN1CCCC(CNC(=O)Nc2cc(-c3n(nnn3)C)ccc2)C1)Cc4ccc(cc4)F	622
+c1cc(ccc1Cl)C2(CCC2)CN3CC(CCCC3)CO	622
+c1ccccc1COC(=O)NC(c2ccccc2)CN3CC(CC3)OCCOCCOCCOCCOCCOC	622
+C1CN(CCN1C)CCCOc2ccc(cc2)NC=C3c4ccccc4NC3=O	623
+C1CC(CCN1CCC2c3ccccc3OCC2)NC(C)=O	624
+C1CC(CCN1CCCCn2cnc3c2cccc3)N4c5c(cccc5)NC4=O	624
+C1CCN(C1)CCN(C)CCSC2CCC3(C)C(CCC4C5(CCC(c6ccoc6)C5(CCC34)C)O)C2	624
+C1CN(CCN1CCC2CC(Nc3ccccc23)=O)c4cccc5c4cc(cc5)OC	624
+C1CN(CCN1CCCCc2c3cc(ccc3[nH]c2)C#N)c4sc(C#N)c(n4)C	624
+CC(C)(C)OC(=O)NC1CCCCC1CN2CC(COC)CCC2	624
+CC(C)(C)OC(=O)NC1CCN(CC1)CC2CN3C=4N2C(=O)C=CC=4N=CC3=O	624
+CC(C)(C)OC(N1CC(c2ccccc2)C(CN3CCC4(CC3)CCN(Cc5ccc(cc5)Br)C4=O)C1)=O	624
+CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O	624
+c1cc(ccc1)C(c2ccccc2)CN3CC(O)(CC3)C	624
+c1cc(ccc1C(CCCCN2CCN(C(=O)OCC)C(C)C2)c3cnccc3)F	624
+c1cc(ccc1C2(CCC2)C(N3CC(CN4CCN(CC4)c5c(OC)cccc5)CCC3)=O)Cl	624
+c1ccccc1-n2c3c(c(ncn3)NCCCN4CCN(CC4)c5cccc(Cl)c5Cl)nc2-c6ccccc6	624
+c1cc(ccc1)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN3Cc4ccccc4C(C5CCC5)(C(O)C3)O	625
+C1CN(CCN1CCC(C(C2CCCCC2)=O)c3ccccc3)c4ccccc4OC	626
+C1CN(CCN1CCOc2cc3c(cc2)OCC(N3)=O)c4c5c(nc(cc5)C)ccc4	627
+O(C(=O)C1CN(CCSc2c(ccc(F)c2)F)CCC1CCC(=O)c3c4c(ccc(OC)c4)ncc3F)C	627
+c1cc(ccc1C#N)NC(C(=O)OCC)c2c(F)c(OC3CCN(CC3)CCO)cc(OCC)c2	627
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(OCC)=O	628
+c1cc(ccn1)C(Cn2c3c(c4cc(ccc24)C)CN(CC(O)C)CC3)O	629
+C1CN(CCN1c2c3c(nc(cc3)C)ccc2)CCc4ccc5OCC(N(C)c5c4F)=O	630
+CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)c3cc(ccc3)NC(=O)CC	630
+O=S(=O)(c1ccc(cc1)NC(=O)CC2CCN(CC2)CCO)C	630
+C1CN(CCN1CC2(CCOCC2)c3ccc(cc3)OCCCN4CCCC4)C	631
+FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C	631
+c12c(cccc1)C(=O)N(C2=O)CCCN(C(C)C)S(=O)(=O)c3ccccc3[N+]([O-])=O	632
+C1N(C)c2c3N(C1)C4C(CN(C(=O)OCC)CC4)c3ccc2	633
+N1(c2ccc([N+]([O-])=O)cc2OCC1)C	634
+n1c2c(ccc(Nc3cc(C=4CCN(C)CC=4)ncn3)c2)ccc1	635
+FC(F)(F)c1ccc(cc1)-c2nc(CN3CCN(CC3)Cc4ccc(c(OC)c4OC)OC)c(C)n2C	636
+CC(C)(C)OC(=O)n1nc(cc1)CN2CC(C)NC(C2)C	637
+n1cccnc1CN2CC(C2)n3c(-c4ccnc(n4)N)c(nc3)-c5ccc(cc5)F	638
+CC(C)(C)OC(N1CCN(Cc2c(ccc(OS(=O)(=O)C)c2)Cl)C(C1)=O)=O	639
+CC(C)(C)OC(N1CC(C(=O)N(CC(C)C)Cc2cc3c(OCCCO3)c(Cl)c2)CC1)=O	640
+CC(C)(C)OC(=O)N(C)Cc1ccc(c(c1)F)CO	641
+CC(C)(C)OC(N(Cc1cc2c(OCO2)cc1)CCCBr)=O	642
+CC(C)(C)OC(=O)N(Cc1cc(ccc1I)Br)CC	643
+CC(C)(C)OC(N(Cc1cc(ccc1Oc2cc(Cl)c(cc2)Cl)Br)C)=O	643
+c1cc(ccc1F)COC(N(Cc2c(-c3cc(ccc3OC)CC(OC)=O)cc(cc2)OC)CC)=O	644
+CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)CCCCN(Cc1ccccc1)CC(O)CCl	645
+O=S(=O)(N1C(C(OCC)=O)CN(CC1)Cc2ccc(cc2)Br)c3ccc(cc3)OCC#CC	646
+c1cc(ccc1CN2CC(OCC2)C(C)C)Br	646
+C1CN(CCC1CNc2nc3c(C(=O)OC)cccc3[nH]2)Cc4cc(Cl)cc(c4O)Cl	647
+c1cc(ccc1Oc2cccc(CN3CCN(CC3)C(=O)Nc4noc5c4cccc5)c2)Cl	647
+c1ccn(c1)-c2c(CN3CCC(CC3)Nc4nc(NCCCN(C)C)nc5ccccc45)cccc2	647
+FC(F)(F)c1nnc(N(C)C2CCN(CC2)Cc3ccc(cc3)F)s1	648
+FC(F)(F)CN1CCN(Cc2cccc(F)c2F)CC(NC(=O)OC(C)(C)C)C1=O	649
+CC(C)(C)OC(N(C1CN(CC1)Cc2ccc(cc2)OC)c3ncc(C=CC(=O)OCC)cc3)=O	650
+FC(F)(F)c1ccc(cc1)CN2CCC(CC2)Nc3ccc(C#N)nn3	650
+FC(F)(F)c1cc(CN2CCN(CC2)C)cc([N+](=O)[O-])c1	651
+c1cc(ccc1-c2ccc(cc2)NC(C=Cc3ccc(cc3)CN4CCC(CC4)C)=O)Cl	652
+CC(C)(C)OC(Nc1cc(C)cc(CN2CCN(CC2)C(C)=O)c1)=O	653
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(-c4ccc(cc4)CN5CC(C5)C(O)=O)n3	653
+C1CN(CCN1Cc2c(ccc([N+](=O)[O-])c2)F)C	654
+CC(C)(C)OC(=O)N1CCN(CC1C)Cc2c(cc([N+](=O)[O-])cc2)Cl	654
+FC(F)(F)c1n2nc(N3CCN(CC3)Cc4cc(Cl)ccc4)ccc2nn1	655
+FC(F)(F)c1ccc(Oc2cccc(CC(O)=O)c2)c(c1)CN(S(=O)(=O)c3ccc(cc3)Cl)C	656
+C1COCCN1c2c3c(cc(s3)CN4CCN(CC4)C)nc(Cl)n2	657
+CC(C)(C)OC(=O)N(C)Cc1cc([nH]c1)-c2ccccc2F	658
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cc3nc(-c4c(cccc4)[N+](=O)[O-])sc3nc2	659
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(c3s2)Oc4ccc([N+]([O-])=O)cc4F)cc1)CCOC	660
+C1CN(CCN1c2ncc(cc2)C(OCC)=O)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3	661
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc(cc2-c3ccc(cc3)Cl)F	662
+C1CC(CCN1Cc2cnccc2)n3ncc4c(nc(nc34)Cl)N5CC(C)OC(C)C5	663
+CCN(N)C(Nc1sc(C)nn1)=O	664
+O=S(=O)(N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O)C	665
+C1CN(CCC1Oc2cc(C)c(c(C)c2)-c3cc(ccc3)COc4cc5OCC(CC(OC)=O)c5cc4)S(=O)(=O)C	666
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1-c4nnc(o4)NC5CCN(CC5)S(=O)(=O)C	666
+O=S(=O)(N1CCC(CC1)COc2c3ccccc3nc(c2)C)CCC4C(NC(N4)=O)=O	667
+C1CCCC1CC(C(NC2CCCN(S(=O)(=O)c3ccccn3)CC2O)=O)NC(=O)c4occc4	668
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(C(C)CN4CCN(CC4)S(=O)(=O)c5nn(cc5)C)nc3)ncnc12	668
+O=S(=O)(N1CC(CNC(C(CC(C)C)NC(c2cc3ccccc3s2)=O)=O)C(O)C1)c4ccc(cc4Cl)F	669
+FC(F)(F)Cc1ccc(cc1)N2C(=O)C3(CCN(CC3O)S(=O)(=O)c4c(Cl)cccc4)CC2	670
+c1cc(ccc1C(NCc2sc(cc2)S(=O)(=O)N3CCC(CC3)=O)=O)Cl	671
+c1cc(ccc1F)-n2c3C=C4C(Cc3cn2)(COCC)CN(CC4)S(=O)(=O)c5ccc(Cl)nc5	672
+c1cc(ccc1-c2ccc(cc2)C#N)N3C4C(CN(C(OCc5ccccc5)=O)C4)CC3	673
+c1cc(ccc1N2CCC(CC2)C(=O)N(OC)C)Cl	674
+CC(C)(C)OC(N1CCCC2C1CN(C2)c3c(cc4C(=O)C(=CN(C5C(F)C5)c4c3Cl)C(O)=O)F)=O	675
+c1ccccc1-c2nnc(N3CC4CCC(C3)N4C)cc2	676
+C1CC(CCN1c2c(cc3C(C(=CN(c3n2)C4CC4)C(O)=O)=O)F)Nc5ccc(N6C(=O)OC(CNC(C)=O)C6)cc5F	677
+C1C(CN1c2ccc3c(cc(cc3)F)n2)c4c(-c5cc(c(cc5)C(NC)=O)F)nccn4	678
+C1CC(CCN1c2ncccc2Br)Nc3ccc(cc3)F	679
+FC(F)(F)c1ccnc(N2C3C(C(O)(c4ccccc4)CC2)CCCC3)c1	680
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccccc2N(S(=O)(=O)C)C	681
+c1nc(ncc1F)N2CCN3C(CCC(C3)Cn4ccc5c4ccc(F)c5)C2	682
+c1cc(ccc1)C(C(OC)=O)C2CCN(CC2)c3ncccn3	683
+C1CC(CCN1c2ncncc2)C(N3CCN(CC3)Cc4ccccc4)=O	684
+C1C2CN(CC2CN1c3cc(N(C)C)ncn3)C(=O)c4c(cc(OC)cc4)-n5nccn5	685
+C1CN(CCN1c2ncnc3c2C(C)CC3O)C(N(Cc4ccc(cc4)Cl)CCN(CC)CC)=O	686
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(cc(c(c2OC)N)Cl)F	687
+CC(C)N1c2cccc(c2NC1=O)F	688
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(Nc3c2cc(C4CC4)cc3F)=O	689
+CCN1C(Nc2ccccc12)=O	689
+N1(c2cc(C)ccc2NC1=O)C(CCC)CC(OCC)=O	689
+c12CN(C(=O)c1cccc2[N+]([O-])=O)CCOC	690
+c1cc(ccc1OC)CN2C(c3c(cccc3C2)I)=O	690
+C1(=O)N(CC)NCN1c2sc(C)nn2	691
+C1(=O)N(CC)NCN1c2sc(C)nn2	692
+CC(C)(C)OC(NC(c1ncc(F)cc1F)C)=O	693
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(C3(C(C)C)CC(CC3)NC4C(COCC4)C)=O	694
+C1CCCC1NCCNC2CCC(CC2)CC(=O)NC3Cc4c(c(C(O)=O)ccc4)OB3O	695
+c1ccccc1COC(NC2CCN(C3CCC(NC(C)C)CC3NC(C)=O)C2=O)=O	695
+C1CC(CCN1c2ccc(cc2)C(=O)O)NCC(O)c3cc(NS(=O)(=O)C)c(O)cc3	696
+c1cc(ccc1CCC(NCCc2cc(OC)cc(OC)c2)=O)F	697
+c1cc(ccc1C(C)CNC(C)=O)C#Cc2ccc(cc2)OCCC	698
+c1cc(ccc1Br)C(CC(NC)=O)c2ccc(cc2)Cl	699
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)(NCc4ccccc4)C(=O)NC(C)C	700
+c1cc(ccc1F)Cc2cnc3c(c2)N(C(C(C(=O)NCCOCC)=C3O)=O)CCNC(C)=O	701
+S(c1c(C(=O)NC)cc(cc1)C)c2csc3ccccc23	702
+c1cc(ccc1)COc2cc(c(Br)cc2C(=O)NCCCOC)OCc3ccccc3	703
+C(NCCCSc1ncco1)(NCC)=C[N+]([O-])=O	704
+c12c(C(=O)N(C1=O)CCN3C(=O)C(C(NCCOCC)=O)=C(O)c4c3cc(cn4)Cc5ccc(cc5)F)cccc2	705
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3CCCC(c4ccccc34)NC(CN(C)C)=O	706
+FC(F)(F)c1ccc(c(Cl)n1)C=CC(NCc2cc(F)c(cc2)NS(=O)(=O)C)=O	707
+C1CC(CCC1NC(C2CC2)=O)Oc3ccc(cc3)C(OCC)=O	708
+c1ccccc1C(C(NC(c2ccc(cc2)OCC(C)CCC)CN=[N+]=[N-])=O)C	709
+c1ccccc1CC(NC(=O)Cc2c3c(ccc(O)c3)[nH]c2)c4n(Cc5ccccc5OC)ccn4	709
+ClC1(Cl)C(C(NCC)=O)(C)C1	710
+C1(COCC(C)N1CCNC(C2CCCCN2c3nc4c(cccc4)o3)=O)C	711
+CC(C)(CO)NC(=O)C(Oc1ccc2c(cc(Br)cn2)c1)SC	711
+FC(F)(F)COc1cnc(C(C)NC(Cc2ccc(cc2)-c3c(C4CC4)nccn3)=O)cc1	711
+C1CN(CCO1)CC(C)(C)NC(=O)Cn2nc(-c3cn(nn3)Cc4ccc(cc4)OC)cc2Cc5ccc(cc5)F	712
+CC(C)CCNC(CN1C=CC=C(C1=O)NC(=O)OCc2ccccc2)=O	712
+CC(C)(C)NC(=O)C1(CCC1)c2cc3c(nc(nc3C(N4Cc5ccccc5C4)=O)N)cc2	713
+CC(C)(C)OC(N(CC(NCC)=O)CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F)=O	713
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(c3ccc(c(c3)F)CNS(=O)(=O)C)C	713
+N(C)C(CC1N(C(=O)c2cc3NC(=O)COc3cc2)c4ccc(cc4OC1)Br)=O	713
+c1c(F)c(c(cc1)F)Cc2c(N(CC(=O)NCC)S(=O)(=O)c3cc(OC)c(OC)cc3)c(OC)ccc2	713
+c1cc(ccc1S(=O)(=O)Nc2ccccc2Oc3ccc(Cl)cc3Cl)C(NCC(NCCCCC(N)C(OC)=O)=O)=O	713
+CC(C)C(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	714
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3c4ccccc4C(NC(=O)CCl)CCC3	715
+CC1(C)OC(=O)Nc2c1cc(-c3n(c(cc3)C#N)CC(NCCc4ccc(OC)c(OCC)c4)=O)cc2	716
+c1cc(ccc1)COC(=O)NC(CCCCCC(NC)=O)c2oc(cn2)-c3cc4c(cccc4)nc3OC	716
+C(N(C)c1n[nH]c2ccc([N+]([O-])=O)cc12)C(NC)=O	717
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C	717
+C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O	718
+C1CC(CCC1O)Nc2nc3c(c(ccc3cn2)C)OCC(=O)NC	719
+CC(C)(C)OC(NCC(=O)NC(C(=O)NC)Cc1ccccc1)=O	719
+CC(C)(C)C1CCC(CC1)C(NC(CC)c2nnc(-c3cc(ccc3)[N+](=O)[O-])nc2O)=O	720
+C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O	721
+c1cc(ccc1-n2c(nc3c2ncnc3NC4CCCN(C(NCC)=O)C4)-c5c(cccc5)Cl)Cl	722
+CC1CN(CC(C)O1)CCNC(=O)Nc2nc3c(cc(cc3)SC#N)s2	723
+FC(F)(F)c1nc(c(cc1)CNC(Nc2cc3CCCc3nc2)=O)N4CCC(CC4)C	724
+c1cc(ccc1F)-c2c3c(ncnc3sc2)OCCCOc4cc(ccc4)NC(=O)NCC	725
+C1CN(CCN1c2nccc(NC(=O)NCCC)c2)CC	726
+c1(NC(NCCCCC)=O)cc2C(=O)N(Cc3ccc(c(c3)Cl)Cl)C=Nc2cc1	726
+c1(cc2c(ccc(c2)NC(NCC)=O)nc1O)C(=O)O	726
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)NC(=O)NC)C	726
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(=O)OC	727
+CC(C)(C)OC(=O)NC(c1cccc(c1)[N+](=O)[O-])C	728
+CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O	728
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	729
+c1cc(ccc1)COC(=O)NC(c2ccccc2OC)CCC=C	729
+C1CCCCCN1CCN2CCC(CC2)NC(c3[nH]c4cccc(OCc5cocc5)c4c3)=O	730
+CC(C)(C)NC(c1cc2c([nH]1)ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)=O	731
+Cc1cc(cc(C)c1O)CNC(c2sc(c3c2CC4C(C)(C)C34)C)=O	732
+O(c1ccn2c(c1)nc(C)c2C(=O)NC)C	733
+C1CC(CCO1)CC(C(Nc2sc(C(=O)NC)cn2)=O)c3ccc(cc3)S(=O)(=O)C	734
+C1CN(CCC1NC(=O)c2cc(-c3sccc3)on2)CCSc4nc5cc(ccc5nc4)OC	735
+CC(C)(C)C(NC(c1nn(c2C3CC3Cc12)-c4cc(Br)ccn4)=O)CO	736
+[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12	737
+CC(C)C1C2C3C(C1CC2)CCCC3NC(=O)c4c(F)n(nc4C(F)F)C	738
+FC(F)(F)C(CC(C)(C)c1c(OC)ccc(F)c1)(CNC(=O)c2cnn(c2N)-c3ccc(cc3F)F)O	739
+FC(F)(F)c1cc(n(n1)-c2c(cccn2)Cl)C(Nc3c(C(=O)NC)cc4c(nsn4)c3Cl)=O	740
+c1ccccc1CC(NC(=O)c2cccnc2-n3cc4ccccc4n3)C(O)C(=O)OCC	741
+[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12	742
+C1CN(CCN1c2ccc(C(NC)=O)cn2)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3	743
+C1CN(CCO1)Cc2ccn(-c3c(C(=O)NC(Cc4ccccc4)C(C(=O)N)O)cccn3)n2	743
+CC(C)(c1ccc(cc1)CNC(=O)c2c(Oc3ccc4nsnc4c3)nccc2)O	743
+FC(F)(F)c1n(C)c2cc(ccc2c1C(NC)=O)OC	743
+c1cc(ccc1)C(CC)NC(c2c3n(cc2)CCOC3)=O	743
+C1CN(CCC1CNc2[nH]c3cccc(C(=O)NC(C)C)c3n2)Cc4cc(Cl)cc(c4O)Cl	744
+O=C(NC1c2c(cccn2)C(N=[N+]=[N-])C(c3c(c(ccc3)F)F)CC1)c4cnc5c(c4)CC6(c7cccnc7NC6=O)C5	744
+FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(Oc3cc(cnc3N)C(NC)=O)C2)=O	745
+FC(F)(F)C1(c2c(N(C(=O)N1)Cc3ccc(cc3)OC)ccc(c2)Br)CNC(c4ccc(cc4)F)=O	746
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(Cl)cc(cc2)Cl)=O)N3CCOCC3	747
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(cc4C)C(NC)=O	748
+c1c(ccc(Oc2cc(C(NC)=O)ccc2[N+]([O-])=O)c1F)F	748
+c1cc(ccc1-c2[nH]c(-c3ccccn3)c(-c4ccc5c(c4)OCO5)n2)C(NC)=O	748
+c1cc(ccc1C#CCc2ccc3C(C)(C)CCC(C)(C)c3c2)C(=O)NCC	748
+c1cc(ccc1CCCCOCCCCBr)C(NCc2c(CC)nc3n(ncc3c2NC4CCN(CC4)C(=O)N)CC)=O	748
+c1ccccc1C(c2ccc(cc2)C(=O)NCCCCCCCCCCC(O)=O)=O	748
+CC(C)(C)OC(=O)COc1c(Cl)ccc(c1)C(NCC(O)CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3C)=O	749
+CC(C)CC(Sc1ccc(cc1)Br)c2ccc(cc2)C(NCCC(=O)OC)=O	749
+Cc1nc(C(N2CC3C(C2CNC(=O)c4c5C=CCOc5ccc4)C3)=O)c(s1)-c6cccc(c6)C	749
+c1c(cc(cc1)OC)CCNC(c2cc(cc(c2)-c3ccccc3OC)-n4nnnc4)=O	749
+c1cc(ccc1C)-c2cc(cc(-n3nnnc3C)c2)C(=O)NC(COC)C	749
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(NCCCCCCC(OC)=O)=O	749
+CC(C)(C)OC(=O)N(C)C(CNC(=O)c1cccc(C(OCCNC(OC)=O)c2cc(Cl)ccc2)c1)CC3CCCOC3	750
+CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12	750
+C1CC(CCN1C(=O)OCC)NC(=O)c2c(Oc3c(cc(Cl)cc3)Cl)cccc2	751
+c12ccc(cc1n[nH]c2)C(NC)=O	751
+CC(C)(C)OC(N1CC(CNC(=O)c2ccccc2)CC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C1)=O	752
+CC(C)(C)OC(N1CCc2n(CCNC(=O)c3ccccc3)c4ccccc4c2CC1)=O	752
+c1cc(ccc1CCCCOCCCCBr)C(NCc2c(CC)nc3n(ncc3c2NC4CCN(CC4)C(=O)N)CC)=O	752
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	753
+CC(C)(C)OC(=O)NCC(c1cc(cc(Br)c1)F)NC(c2c(F)cc(-c3c(ncc(C4CCOCC4)n3)N)cc2)=O	753
+CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1	753
+CC(C)(C)OC(N(c1ccc(cc1)C2CCCCC2)Cc3ccc(cc3)C(=O)NCC(C(=O)OC)O)=O	753
+O=S(=O)(c1cccc2nsnc12)Nc3c(C(=O)NCC(c4cc(Cl)c(cc4)Cl)C)cc(Cl)cc3	753
+O=C(n1ccc2cc(Oc3ncnc(N)c3)ccc12)NC	754
+o1c(-c2csc(c2)Cl)cc(C3CC4CC4N3C(=S)NC)n1	755
+c1cc(ccc1C2CC(CNCCO)CCC2)Cl	756
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F	757
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br	758
+c1ccccc1C(c2ccccc2)N3CC(C3)(NCc4ccccc4)CNC(C)C	758
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br	759
+c1ccccc1C(c2cc(OC)cc3c2cc[nH]3)CCNC	759
+C1CC(CCN1c2ccccc2OC)CNCC3COc4ccccc4O3	760
+Fc1cc(cc(F)c1)OCCNC	760
+c1(ccccc1OC)OC(CNCCCc2c3cc(ccc3[nH]c2)F)C	760
+c1cc(ccc1Cl)CCNCC(O)C	760
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F	760
+c1ccccc1C(n2ccc3ccccc23)CCNC	760
+C(CC(NCCC)CC(=O)N)CCCCCCCCCCC	761
+C1CCCCC1C2(COC2)CNC	762
+c1cc(ccc1CCNCC2Cc3c(CC2)cccc3)OC	762
+C1CN(CCC12CC(C(C2)NCc3nc4c(SCC(N4)=O)cc3)O)c5ccnc6ccc(nc56)OC	763
+CC(C)(C)n1nc(cc1CC(C)C)CNCCN2CCN(CC2)c3c(C)cc(C)cc3	763
+O=S(=O)(n1cc(c(F)c1-c2ccccc2)CNC)c3cnccc3	764
+FC(F)(F)c1cc(ccc1CNC2CCN(CC2)c3c4c(cccc4)c(nn3)-c5ccnn5C)F	765
+O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCNCc1ccccc1	766
+c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1	767
+c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1	768
+c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2	769
+O=S(=O)(C)c1c(ccc(Br)c1)CNC	770
+c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2	770
+c1cc(ccc1CNC)C(=O)c2ccccc2	771
+c1ccccc1SC(CNC=O)c2c3ccccc3ccc2OC	772
+c1cc(ccc1)C(C(c2cccc3ccccc23)O)CNC	773
+FC(F)(F)c1cc(n(n1)C)Oc2cccc(CNC)n2	774
+c1cc(ccc1)CN2CC(NC)C(c3cc(c(Cl)cc3)Cl)C2	775
+c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC	776
+C1CNCCC1=C(c2cccnc2)c3ccc(cc3)F	777
+c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC	778
+C1CCCC1N2C(CC)C(=O)N(C)c3cnc(nc23)-c4c(cncc4)CNS(=O)(=O)C	779
+O=S(=O)(NCCOCCOc1ccc2c3c(c(nc2c1)N)nc(CCC)s3)C	779
+C1CCCCC1S(=O)(=O)NCCc2cc(cc(CCC(OCC)=O)c2)Cc3cccnc3	780
+c1cc(ccc1)CS(=O)(=O)NC2CCC(CC2)c3nc(c([nH]3)-c4cc5OCOc5cc4)-c6nc(ccc6)C	781
+O=S(=O)(c1cccc(-c2nc(nc(NCCc3ccc(cc3)OC)c2)OC)c1)NCC	782
+CC1(C)C(N(c2ccc(OCCCNS(=O)(=O)c3ccccc3[N+]([O-])=O)cc2N(C)C1=O)CC)=O	783
+O=S(=O)(c1ccc(cc1)O)NCC(N2CCN(CC2)C(OCc3ccccc3)=O)C(OC)=O	784
+CC(C)(C)OC(=O)N1C(CC(Nc2ccc(cc2[N+](=O)[O-])Br)C1)CO	785
+FC(F)(CNc1ccc(C#N)c(c1F)CC(=O)OCC)c2ccc(cn2)C	785
+c1cc(ccc1-c2cnnc(NCCO)c2)F	786
+Clc1ccc(c(Cl)c1)-c2c(c(NC(CCC)C)ncc2)[N+]([O-])=O	787
+n1c(-c2ncccc2)c(cc3ccsc13)C(C)Nc4c5[nH]cnc5ncn4	788
+CC(C)(C)OC(NCCNc1c2c(ncc1[N+](=O)[O-])cc(OCc3ccccc3)cc2)=O	789
+CCNc1c(C#N)c(O)nc(C)c1	789
+c1cc(ccc1)-c2cc(NC(C)CCCN(CC)CC)c3c(cccc3)n2	789
+CC(C)c1nc(O)c(c(NCC)c1)[N+](=O)[O-]	790
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nc(C)no4)c2-c5ncccc5)F	791
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nnc(o4)C)c2-c5ncccc5)F	791
+C1CC(CCC1C(=O)OCC)Nc2nccc(-n3ccc4c3cccc4Br)n2	792
+C1CC1c2cc([nH]n2)Nc3c(Cl)cnc(NC(c4ccc(F)cn4)C)n3	793
+FC(F)(F)Cc1sc2ncnc(NCC3CCN(CC3)C(=O)OC(C)(C)C)c2c1	794
+C1CC(CCN1Cc2ccc(OC)c(OCC)c2)Nc3nc(nc(c3)C)N	795
+FC(F)(F)C(C1CCC(CC1)Nc2ncnc(c2Cl)CC)O	796
+c1ccccc1-c2c(nc(SC)nc2)NC	797
+CC(C)(C)OC(=O)Nc1c2c(ncn1)n(-c3cccc(c3)NC)c(c2-c4ccc(cc4)Cl)Cl	798
+CC(C)(C)OC(Nc1c2c(ncn1)n(-c3ccc(cc3)NC)nc2I)=O	798
+O=C(NNc1ccc(cn1)F)N2C(C)CCCC2	799
+c1(C(=O)NCC2N(CC2)C(=O)CO)cc(F)c(nc1NCCc3cccc(F)c3)-c4cnn(C)c4	800
+FC(F)(F)c1ccc(cc1)-c2nnc(N3CCN(C(C)C3)C(N4CCC(CC4)(F)F)=O)c5c2ccnc5	801
+FC(F)(F)c1ccc(cc1)NC(N2CCCC2c3c(Cc4ccc(cc4)Cl)c(C)no3)=O	802
+FC(F)(F)C(=O)NCC1N(C(c2c(sc(N)n2)-c3cc(F)ccc3)=O)C4CCC1C4	803
+c1cc(ccc1-c2ccc(cc2)C3C(CCN4C(C)CCC4)C3)C#N	804
+C1(N(CCOC1)Cc2cc(c(Br)cc2F)F)C	805
+CC1(C)COCC(C)(C)N1N	806
+CC1(C)N(N)CCN(C1)S(=O)(=O)C	807
+CC(C)(C)OC(=O)N(C(C)C(NC(C(=O)N1CCC2N(CC(C(=O)OC)C12)S(=O)(=O)C)C3CCCCC3)=O)C	808
+C1C2CC3CC1CC(C2)(C3)NC(N4CC5(C4)CCN5S(=O)(=O)c6ccc(cc6)Cl)=O	809
+FC(F)C1(c2cccc(c2F)F)COCC(=N1)N	810
+C(C)OC(N1CCc2c(ccc3CCC(OC)c23)CC1)=O	811
+C1CN(CCN1c2ccc(cc2F)C(C)OC)C(=O)c3cc(S(=O)(=O)C)ccc3N4CCCCC4	811
+O1CCOC12CCC(CC2)(OC)c3c(Cl)cccn3	812
+c1ccccc1CC(C(OC)=O)O	813
+CC(C)OC(Cc1c(cc(cc1)[N+](=O)[O-])[N+]([O-])=O)=O	814
+c1cc(ccc1F)C(c2ccc(cc2)F)(CCCBr)C(OCC)=O	814
+C(OCCOCC=CCBr)COCCOCCC(=O)OC	815
+c1ccccc1COc2ccc3n(ccc3c2)CCC(OC)=O	816
+c1cc(ccc1N2CCN(CC2)C(OCCN(C)C)=O)[N+]([O-])=O	817
+FC(F)(F)C(C)OC(N1CCC(CC1)C2(Oc3cnc(cc3C2)-c4ccc(cc4)S(=O)(=O)C)C)=O	818
+c1cc(ccc1-c2nocc2NC(=O)OC(c3c(cccc3)Cl)C)CCCl	819
+CC1(C)CCSc2ccc(cc12)C#Cc3ncc(cc3)C(=O)OCC	820
+C(C)C(CC)CC(OC(c1ccc(cc1)OC(=O)C)=O)C	821
+S1c2cccc(c2C(c3c1ccc(C)c3)=O)C(=O)OCCCCCCCCCCCC	821
+c1(nccc(c1)C(=O)OC)N2NC=C(c3cnccc3)C2=O	822
+C1CCC(C1)C2N(c3ccc(C#N)c(Cl)c3)N=C4C2CCc5cc(C(OCCCCCCC)=O)ccc45	823
+C1(=O)c2ccc(cc2Sc3ccc(cc13)C)C(=O)OC	824
+C1COC(O1)(C=CC2C3C(OC(=O)C3)CC2OC4OCCCC4)COc5cc6c(cccc6)cc5	825
+c1cc(ccc1CCCOC)Cl	826
+O(CCc1cc([N+]([O-])=O)ccc1Br)C	827
+CN(C)c1cc(COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4)ccc1	828
+CC(C)(C)OC(N1CCCC(Cc2c(F)cccc2)(C1)COC)=O	829
+C(OCc1ncccc1)c2cc(ccc2)-n3cnc(C(=O)OCC)c3	830
+c1ccccc1COC(N(C)CC(=O)N(C)c2ccc(cc2)COC)=O	831
+c1(cc(cc(C)c1[N+](=O)[O-])COCC)C	832
+c1ccccc1C(c2ccc(cc2)COCCN(CC)c3ccccc3)=O	833
+c1cc(ccc1N(C)CCOC)C(OCC)=O	834
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(CC(CC2)OS(=O)(=O)C)F	835
+CC(C)C(C(C)C)(OOC(CN=[N+]=[N-])COS(=O)(=O)C)P(O)(O)=O	835
+CC(C)(OC1OCCCC1)c2c(cccc2)CCC(c3cc(ccc3)C=Cc4nc5c(ccc(Cl)c5)cc4)OS(=O)(=O)C	836
+O=S(=O)(OCCc1ccc(cc1)CCCCCCCC)C	837
+c1cc(ccc1NC(=O)C)CCCCOS(=O)(=O)c2ccc(cc2)C	838
+CC(C)(C)c1c(cc([N+](=O)[O-])cc1)OC	839
+C(CCN(C)c1c(cnc(Cl)n1)F)Oc2cc3c(n(CC(OC)=O)cc3)cc2	840
+CC(C)(C)OC(NC(C(=O)OC1CCCC1)CCOc2cccc(c2)[N+]([O-])=O)=O	840
+C1CC(CCC1C2CCC(CC2)COc3cccc(F)c3F)C=C	841
+c12c(cccc1)ccc(c2)OCCCCCCCCCl	841
+c1cc(ccc1OCC(C#N)(CCCC)C)O	841
+CC(C)N1N=C(Br)c2ccc(OC)cc2C1=O	842
+CC(C)N1N=C(Br)c2ccc(OC)cc2C1=O	843
+FC(F)(F)Cn1nc(c(c1)-c2ccncc2)-c3ccc(cc3)OCc4nc5c(cccc5)n4CF	844
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc3CC4(CCN(CC4)Cc5ccccc5)Cc3c2)=O	845
+C1CC(CCN1C(C)C)Oc2nc3CCN(Cc3cc2)Cc4ccccc4	846
+FC(F)(F)C(Oc1nncc2cc(Br)ccc12)C	847
+c1(-c2cc(cc(-c3ncccc3)n2)OCC)ncccc1	848
+c12c3c(ccc1cccn2)c(cc(C)n3)OCC	848
+FC(F)(F)c1c(Br)c(ncn1)OCC	849
+c1cc(ccc1-c2ccc3c(c(OCC)ncn3)c2)F	849
+C(C1CC1c2ncc(OC)cc2)Oc3nc(C)ncc3Br	850
+c1cc(ccc1)CN2CC(OCC2)C3(OCCO3)C	851
+O=S(=O)(C)OCCC1(C(=O)N2CC=CC(C(OC)=O)N2C1=O)C	852
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)C)CC1C(=O)OC	853
+CC(C)(C)OC(N1CC(c2ccccc2)CC1COS(=O)(=O)C)=O	854
+FC(F)(F)c1cccc(N2C(c3c(non3)NCCOS(=O)(=O)C)=NOC2=O)c1	854
+CC(C)(C)OC(=O)C(C(CCc1ccc(cc1)I)OCc2ccc(cc2)OC)CCOS(=O)(=O)C	855
+O=S(=O)(OCCN1C(c2cc(Br)sc2C1(C)C)=O)C	855
+O=S(=O)(OCCOCCCCCCN1CC(OC1=O)c2cc3c(cc2)OC(C)(C)OC3)C	855
+O=S(=O)(C)OCCCn1cnc2ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)cc12	856
+O=S(=O)(OCCC1n2cc(I)cc2C(=O)NC1)C	857
+c1(cc(cc(F)c1)C(C2CCN(CC2)S(=O)(=O)C)CC(OC(C)C)=O)F	858
+c1cc(ccc1F)C(NC2CCN(CC2)S(=O)(=O)C)=O	859
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(ccc(F)c2Cl)F)=O)C3CCCCN3C	860
+O=S(=O)(CCC)N1CCC(CC1)(c2ncccc2)C#N	860
+FC(F)(F)COc1ccc(cc1)N2CCN(CC2)S(=O)(=O)C	861
+CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCN(CC3)S(=O)(=O)CC)cn2)c4ccccc14	862
+O=S(=O)(CC)N1CC=C(c2nc(c(N)nc2)-c3noc(n3)-c4ccccc4)CC1	863
+CC(C)(C)OC(NC1CCc2c(cc(cc2)CNS(=O)(=O)CCC)C1Cc3ccccc3)=O	864
+O=S(=O)(CC)Nc1c(F)c(C(=O)c2c[nH]c3ncncc23)ccc1	865
+c1ccccc1P(c2ccccc2)(=O)c3ccc4c(cccc4)c3-c5c6c(ccc5NS(=O)(=O)C)cccc6	866
+C1CC1(CC=C)S(=O)(=O)Nc2c(c(F)c(cc2)F)Nc3c(cc(I)cc3)F	867
+O=S(=O)(C)OCCOc1ccc(-c2ccccc2F)nc1	868
+C1CCCCC1C(c2n(-c3ccc(cc3)Cl)nc4CCCc24)COS(=O)(=O)C	869
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COS(=O)(=O)C)=O	870
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COS(=O)(=O)C)=O	871
+FC(F)(F)c1cc(c(COS(=O)(=O)C)cc1)Oc2cc(C#N)ccc2	872
+O=S(=O)(C)OCCOc1ccc2c(ccnc2c1)-c3c4n(nc3-c5ccccn5)CCC4	873
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(CSC)C3CCCCC3	874
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(CSC)C3CCCCC3	875
+CC(C)(C)OC(=O)NC(CSC)C	875
+c1cc(ccc1O)CSCCC(=O)OCC	876
+CC(C)(C)[Si](C)(C)OCCOCc1nccs1	877
+CC(C)(C)[Si](C)(C)OCCCc1ncsc1	878
+CC(C)(C)[Si](C)(C)OCc1[nH]c2ncccc2c1	879
+CC(C)(C)[Si](C)(C)OCc1cc(Cl)ncc1	880
+CC(C)(C)[Si](C)(C)OCCOCc1nccs1	881
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)-c2ccccc2[N+]([O-])=O	882
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)Cc2c(sc(c2)Br)Cl	882
+CC(C)[Si](C(C)C)(C(C)C)OC1=CCC(CC1)c2c(cc(c(F)c2)F)F	883
+CC(C)[Si](C(C)C)(C(C)C)OCC(COCc1ccc(cc1)Br)C	884
+CC(C)[Si](C(C)C)(C(C)C)OCC1(CCCCC1)N	885
+c1cc(ccc1Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O)C#N	886
+c1(ccc2Cc3c(-c2c1)n(C)c4ccccc34)OC	887
+CC(C)=CCCc1cc(n[nH]1)C(OCC)=O	888
+c1cc(ccc1CCc2cc(C(OCC)=O)[nH]n2)OC	889
+c1cccc(c1-c2noc(c2)CO)F	890
+c1cc(ccc1-c2noc(C(C)O)c2)F	891
+c1cc(ccc1)C(c2ccccc2)n3c4ccc(Cl)cc4cc3CCNS(=O)(=O)Cc5cc(c(cc5)Cl)Cl	892
+CC(C)(C)OC(=O)N(CCCc1cc2cc(ccc2[nH]1)C(Nc3ccc(c(OC)c3)OC)=O)C	893
+FC(F)(F)c1c(cc2cc([nH]c2c1)C(CSCC)(C)O)C#N	894
+CC(C)c1cc(Cl)nc(-c2ccc(cc2)Cl)n1	895
+c12[nH]c(C)cc1cc(cn2)F	896
+c1cc(ccc1S(=O)(=O)OCC(C)(C)CS(=O)(=O)N)C	897
+c1cc(ccc1C)S(=O)(=O)OCCCCCC2CCN(CC2)C(=O)OCc3ccccc3	898
+c1cc(ccc1S(=O)(=O)OCC(F)(F)c2ncccc2)C	898
+CC(C)(CCCOS(=O)(=O)c1ccc(cc1)C)NC(=O)OCc2ccc(cc2)[N+]([O-])=O	899
+CC(C)c1ccc2nc(cn2n1)C	900
+CC(C)c1ccc2nc(cn2n1)C	901
+c1cc(ccc1F)Oc2ccc(cc2)CCNc3ncc(c(O)n3)Cc4cnc(nc4)OC	902
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(cc3Oc4ccccc4)Br)sc2	903
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(cc3Oc4ccccc4)Br)sc2	904
+ClC(Cl)(Cl)c1onc(Cc2ccccc2)n1	905
+c1ccccc1-c2nc3cc(ccc3cc2)-c4nc(n5ccnc(Cl)c45)C	906
+FC(F)(F)c1cc(-c2[nH]c(C3CCC(CC3)CNC(OCc4ccccc4)=O)nc2)ccc1	907
+c1cc(ccc1)-c2csc(CC3(CCC3)COCc4ccccc4)n2	908
+CC(C)(C)OC(=O)NC(C(c1onc(-c2c(Cl)cc(cc2)NS(=O)(=O)C)n1)C)C(=O)N3CCCC3	909
+c1(-c2noc(n2)C)cc(N)c(C)cc1	910
+CC(C)(C)c1cc(cc2c1OCC2(C)C)-c3noc(C)n3	911
+[nH]1c(CCCCCCC(OC)=O)nc2cc(ccc12)Br	912
+c1cc(ccc1)COC2CC(C2)c3[nH]c4c(cccc4)n3	913
+CC(C)(C)OC(N1C2C(C2)CC1c3[nH]c4c(n3)ccc5cc(ccc45)Br)=O	914
+C1CCC(C1)Oc2cc(ccc2OC)Cc3nc4cccc(c4o3)[N+](=O)[O-]	915
+c1(nc2c(c(Cl)c1)cc(cc2)Br)C	916
+FC(F)(F)c1c(-c2cc3c(cc2)c(nc(C)n3)O)nccc1	917
+c1cc2c(c(Cl)cc(n2)C)cc1I	918
+c1ccccc1C(CCCCCn2c3c4ccccc4ncc3nc2CCCC)=O	919
+c1ccccc1OCCn2c(CCCC)nc3cnc4c(cccc4)c23	919
+CC(C)(C)OC(=O)NCCCCn1c2c3c(cc(cc3)OCc4ccccc4)ncc2nc1CCOC	920
+c1cc(ccc1)Oc2nc(c(C)c3n(CCOCCCc4sccn4)c(nc23)COCC)C	920
+c1ccccc1COc2ccc3c(ncc4nc(n(CC(C)(C)NS(=O)(=O)C)c34)COCC)c2	921
+C1CC(CCC1Cc2cc(N)n3nccc3n2)C(OCC)=O	922
+CCCCc1cc(n2c(ccn2)n1)NC	923
+c1(F)cccc(F)c1-c2c(N)n(nc2C)C	924
+c1cc(ccc1F)-c2c(Br)c(nn2C)C	925
+FC(F)(F)C(NCCc1cccc(c1)-n2c(N)cc(C(C)(C)C)n2)=O	926
+O=S(=O)(C)C1CN(c2cc(C)nn2-c3cc(Cl)ncc3)C(C1)C(=O)OC	927
+FC(F)(F)C(c1ccc(cc1)-n2c(N)cc(n2)C)O	928
+n1c2CCNc3c(c(F)ccc3)-n2c(C)n1	929
+n1c2CCc3c(c(F)cc(Br)c3)-n2c(C)n1	930
+CC(C)(C)OC(=O)NCCc1oc(C)nn1	931
+FC(F)(F)C(c1nnc(N)o1)(O)C	932
+C(c1nnc(N)o1)CCCCCCCCCCCC	933
+C(C)(Oc1c(Cl)cccc1)c2nnc(N=C=O)s2	934
+CC(C)(C)Cc1nnc(-c2ccc(cc2)[N+](=O)[O-])o1	935
+c1cc(ccc1C#N)-c2nnc(C(Nc3c4c(cccc4)c(C#N)cc3)C(C)O)o2	936
+CC(C)(C)OC(NC(C)c1c(c(c2c(ccc(c2)F)n1)-c3nnc(C)o3)-c4ncccc4)=O	937
+FC(F)(F)c1ncc(cc1)Cc2n3c(nn2)cc(c(Br)c3)-c4ccc(cc4)Cl	938
+c1cc(ccc1CN2C(c3c(ccc(Cc4nnc5ccc(-c6cccnc6)nn45)c3)N=C2)=O)OC	939
+c12c(Cl)nc3c(n1c(CC)nn2)cccc3	940
+c1cc(ccc1)Cn2nnnc2C3CCCN3C(=O)OCc4ccccc4	941
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)-c2cc(Cl)ccc2)c3n(nnn3)CCC#N	942
+C1CC1c2c(cc(c(F)c2)[N+]([O-])=O)-n3c(nnn3)C(C)C	943
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)c2[nH]nnn2	944
+CC(C)(C)OC(=O)NC(c1[nH]nnn1)Cc2ccc(cc2)-c3cc(Cl)ccc3	945
+c1cc(ccc1S(=O)(=O)N2C(c3ccc(cc3)F)CCC2c4nnn[nH]4)C	946
+CC(C)(C)OC(=O)NC(c1[nH]nnn1)Cc2ccc(cc2)-c3cc(Cl)ccc3	947
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(COCc3ccccc3)on2	948
+C1CN(CCC12CC3(C2)Cc4cc(C=5CCN(S(=O)(=O)C)CC=5)ncc4O3)c6nc(no6)CCC	949
+CC(C)(C)C(=O)NCc1c(F)c(c(cc1)F)Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(OCC(F)F)cc3n2C	950
+CC(C)(C)C(=O)NCc1c(F)c(c(cc1)F)Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(OCC(F)F)cc3n2C	951
+C1CC1C(=O)N2CCC(Cn3c(-c4ccc(cc4)Br)nc5c3cc(F)cc5)C2	952
+n1(CCO)cnc2cccc(Br)c12	953
+c1c(cc2n(cnc2c1)Cc3cncc(F)c3)Br	954
+CC(C)(C)OC(N1CCC(CC1)n2cnc3cnccc23)=O	955
+c1cc(ccc1OC)Cn2cnc3cnc(cc23)Br	956
+CCCn1cncc1CO	957
+CC(C)(C)OC(=O)N1CC(C1)n2c(ccn2)-c3c(ccc(c3)Cl)O	958
+CC(C)(C)OC(=O)N1CC(C1)n2nccc2-c3cc(ccc3O)C(F)(F)F	958
+CC(C)(C)c1cc2OC3(CCCCCC3)Cc2c(c1O)CC(=C)C	959
+O=S(=O)(NC1=C2OCCN2C(C(C)=C1Nc3c(F)cc(I)cc3)=O)C4CCC4	960
+c1cc(ccc1Sc2c(C(O)C=C)c(F)ccc2)F	961
+c1cc(ccc1Sc2c(C(O)C=C)c(F)ccc2)F	962
+C1CC1c2c(C)n3c(ccc(c3)N4C=CC(OCc5ccc(F)cc5F)=CC4=O)n2	963
+c1cc(ccc1CC=2C(N(c3n(ncn3)C=2CCC)C4CCC(CC4)OCC(C=C)=O)=O)-c5ccccc5C#N	964
+C1CN(CCN1C)c2nc(SC3CCN(CC3)C(=O)C=C)nc(c2)Nc4ncc(C#N)s4	965
+c1cc(ccc1Oc2ccccc2)-c3c(c(nn3C4CCCN(C(=O)C=C)C4)N)C(N)=O	965
+CC(C)(C)OC(Nc1cc(ccc1C=CC(N2CCN(CC2)Cc3ccc(cc3)F)=O)Cl)=O	966
+CN(C)c1ccccc1CN2CC(CC2)Nc3cnc(C=CC(NOC4CCCCO4)=O)cn3	967
+C1CN(CCO1)CCCOc2c(NC(=O)C=C)cc3c(c2)ncnc3N(C(C)=O)c4ccc(F)c(c4)Cl	968
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC(=O)C=C	968
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(c2c(F)c1)Oc4cccc(NC(C=C)=O)c4	968
+C(COC)Oc1ccc(Nc2nc(c(F)cn2)Nc3cccc(c3)NC(=O)C=C)cc1O	969
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCN(CC3)CCC4=C(N=C5N(C(=CS5)C)C4=O)C	970
+FC(F)(F)C(N1C(Cc2cc(c(cc2C(C)C1)Br)OCC=C)C)=O	971
+c1cc(c2c(c(C)co2)c1OCC=C)C(=O)c3sccc3	971
+C(c1c(c(C(=O)OC)ccc1Cl)O)C=C	972
+CC(C)(C)c1cc(O)c(cc1OC(C(C)(C)C)=O)CC=C	972
+c1cc(ccc1CCc2oc3c(c(c(cc3)CC=C)O)c2C)OC	972
+o1c2c(c(c1CC)C)c(O)c(cc2)CC=C	972
+CC(C)(C)OC(CC(=O)CC(O)C=CC(=C(c1ccc(cc1F)C)c2ccc(cc2F)C)c3n(C)nnn3)=O	973
+c1cc(ccc1C2C(C=C)C2)Br	974
+O=S(=O)(NCCOc1ccnc(Oc2c(cc(Cl)c(c2)Cl)I)c1)C=C	975
+O=S(=O)(NCCOc1ccnc(Oc2c(cc(Cl)c(c2)Cl)I)c1)C=C	976
+c12c(cc(C=C)c(c1)OC)cc(cc2)Br	977
+c1ccccc1C(CCN2CCC(CC2)CCCc3ccccc3)Cl	978
+c1cccc2C=Cc3ccccc3C(c12)Cl	979
+c1ccccc1C(CCl)CN2CCOCC2	980
+c1ccccc1COc2c(ccc(OCc3ccccc3)c2)CCl	981
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4cc(Cl)[n+]([O-])cc4	982
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4ccnc(c4)Cl	983
+C1CCCCN1CCOc2c3ccc(nc3c(cc2)Cl)Cl	984
+C1CCCCN1CCOc2c3ccc(nc3c(cc2)Cl)Cl	985
+FC(F)(F)C(=CC(=O)c1cc2c(s1)cccc2Cl)c3cc(Cl)cc(Cl)c3	986
+FC(F)(F)C1(CC(=NO1)c2cc3c(cccc3Cl)s2)c4cc(Cl)cc(Cl)c4	987
+FC(F)(F)C1(CC(=NO1)c2cc3c(cccc3Cl)s2)c4cc(Cl)cc(Cl)c4	988
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(c4ccccc34)Br	989
+O=S(=O)(n1c2c(cc(cc2)CC[N+](=O)[O-])c3cc(cnc13)Cl)c4ccccc4	990
+CC(C)(C)OC(=O)CCC=1[N+](=O)C(=C=[N-])C=CC=1	991
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	992
+FC(F)(F)c1cccc(N2C(=NOC2=O)c3nonc3NCCN=[N+]=[N-])c1	993
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	993
+N1CC(CN=[N+]=[N-])c2c1cccc2	993
+N(=[N+]=[N-])CC1OC(N2C=C(I)C(N)=NC2=O)CC1O	994
+[N-]=[N+]=NCC1OCN(C1)c2ccc3C(N4C(=Nc3c2)C(c5cc(ccc45)F)=O)=O	994
+c1ccc2c(c1)c3c(cccc3)n2CCCN=[N+]=[N-]	994
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	995
+[N-]=[N+]=Nc1c2c(nc(-c3cc(F)ccc3)c1)ccc(c2)Br	996
+Ic1c(NC(Nc2c(cc(cc2)N=[N+]=[N-])O)=O)cccc1	997
+C1CC(CCC12CCC(CC2)C#N)O	998
+C1CC(CCC1(F)CO)(C#N)NC(=O)OCc2ccccc2	999
+c1cc(ccc1F)CN2c3ccccc3C(Cl)=C(C#N)C2=O	1000
+C1CC1C=C(C(N2CCCC2Cn3c4c(c(n3)-c5c(F)cc(cc5)Oc6cccc(F)c6F)c(N)ncn4)=O)C#N	1001
+c1cc(ccc1-c2nn(C3CN(CCC3)C(C(=CC4CC4)C#N)=O)c5ncnc(c25)N)Oc6c(cccc6)F	1001
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6c(ccc(F)c6)F	1001
+c1cc(ccc1-c2nn(C3CN(CCC3)C(C(=CC4CC4)C#N)=O)c5ncnc(c25)N)Oc6c(cccc6)F	1002
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6c(ccc(F)c6)F	1002
+C1COC2(O1)CCC(CC2)CC#N	1003
+C1Cc2ccc(nc2NC1)CCC#N	1004
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C4CCC(CC4)CC#N)nc3	1004
+c1c(cc(CCCC#N)c(F)c1)Br	1005
+c1cc(ccc1)CN2CCC(C2)CC#N	1005
+c1ccccc1COCC2C(CC=CC2)CC#N	1005
+C(c1c[nH]c2c([N+]([O-])=O)cccc12)C#N	1006
+FC1(F)Oc2cc(ccc2O1)CC#N	1007
+Brc1cc(cc(Br)c1)CC#N	1008
+FC1(F)Oc2cc(ccc2O1)CC#N	1008
+[N+](c1cc(CC#N)cc(Br)c1)([O-])=O	1008
+[N+](c1cc(CC#N)cc(Br)c1)([O-])=O	1009
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CC#N	1009
+Clc1cc(cc(Cl)c1CC#N)Cl	1010
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CC#N	1010
+C(Cc1cc2nccnc2cc1)#N	1011
+c1(I)cc(ccc1F)CC#N	1011
+C1CC(CCC1C(OC)=O)C#N	1012
+c1c2NC(CCc2cc(C#N)c1)=O	1013
+CC(C)(C)OC(CCc1cccc(C#N)n1)=O	1014
+CC(C)(C)OC(CCc1cccc(C#N)n1)=O	1015
+Nc1ncc(C#N)c(Cl)c1	1016
+N#Cc1ccc2C(=O)c3c(ccc(Br)c3)-c2n1	1017
+N#Cc1ccc2C(=O)c3c(ccc(Br)c3)-c2n1	1018
+c1cc(ccc1Cl)-c2c(nc(Cl)c(c2)C#N)-c3c(Cl)cccc3	1019
+c1cc(ccc1Cl)-c2c(-c3c(Cl)cc(cc3)Cl)nc(O)c(c2)C#N	1020
+[nH]1cc(c2c1ncnc2Cl)C#N	1021
+n1c2c(ccc1)cc(C#N)cc2	1022
+FC(F)(F)C1C(C(OCC)=O)=Cc2cc(C#N)ccc2O1	1023
+c1c(Nc2cncc(-c3ccccc3F)c2C#N)c(F)cc(I)c1	1024
+n1c2c(ccc1)cc(C#N)cc2	1025
+C1CC(CCC1)NC2CN(CC2)C(=O)OCc3ccccc3	1026
+FC(F)(F)S(=O)(=O)Oc1cc2c(C(CCC2)N=[N+]=[N-])cc1	1027
+CC(C)(C)OC(=O)NC1C(F)CN(C(=O)OCc2ccccc2)C1	1028
+CC(C)(C)OC(NC1CCOc2cc(ccc12)C#N)=O	1028
+FC(F)(F)c1ccc(cc1)C=Cc2nc(C(=O)Nc3ccc(cc3)CCCCn4ccnn4)co2	1029
+C1Cc2ccccc2C(c3c1cccc3)=CC4CN(CCO4)C(=O)OCC	1030
+FC(F)(F)C(=O)N(C)c1ccc2nc(oc2c1)C	1031
+c1cc(ccc1C#N)CCCNCCO	1032
+CC(C)(C)OC(=O)N1C(CNC(=O)C(F)(F)F)C2CCC1C2	1033
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1034
+N(C)c1ccc2nc(oc2c1)C	1035
+N(C)c1ccc2nc(oc2c1)C	1036
+CC(C)(C)OC(N1CC(c2c3cccc4CCCn(c2)c34)C(c5c[nH]c6c5cccc6)C1)=O	1037
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1038
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1039
+CC(C)(C)OC(=O)N1C(CC2CCCC12)CNCc3ccccc3	1040
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1040
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1041
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1042
+c1cc(ccc1C(OCC)=O)NCCOc2c3c(ccc2)cccc3	1043
+C1CC(CCC1C(OCCCC)=O)CN=[N+]=[N-]	1044
+C1CC(CCC1C(OCCCC)=O)CN=[N+]=[N-]	1045
+N(=[N+]=[N-])CC1C(C(O)C(n2c3c(c(nc(N)n3)O)nc2)O1)O	1046
+N(=[N+]=[N-])CC1NC(c2c(C1)cccc2)=O	1046
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(OCCN=[N+]=[N-])CC2COc4c(F)ccc(F)c34	1046
+C1CC1NCc2c(ccc(c2)Br)Cl	1047
+c1cc(ccc1NCc2cc(ccc2)OC3CCCCO3)OCCN4CCCC4	1048
+[N-]=[N+]=NCc1ccc2c(c1)OC(C=C2c3cc(F)ccc3)=O	1049
+N(Cc1ccccc1-c2nnsc2)=[N+]=[N-]	1050
+CC(C)(C)OC(=O)Nc1cnc(nc1Oc2c(cccc2)C)SC	1051
+FC(F)(F)C(Nc1ccc2nc(C)oc2c1)=O	1052
+[N-]=[N+]=Nc1cc(ccc1)OCC(=O)O	1053
+n1n2c(c(O)ccc2)nc1NC(OCC)=O	1054
+c12C(=O)c3c(ccc(Br)c3)-c1nc(cc2)C=NO	1055
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCc3cccc(C#N)c3	1056
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCc3cccc(C#N)c3	1057
+CC(C)CN1c2nn(Cc3ccnc4ccc(cc34)Cl)c(-c5n(C)ccc5)c2C(NC1=O)=O	1058
+c1c2c(OCCN2)cc([N+]([O-])=O)c1	1059
+C1OCC1N(C)Cc2n(C)nc(c2)NC3=CC(=CN(C)C3=O)Br	1060
+C1C(c2cccnc2)CC(N)C1	1061
+C1C2CCC(CC1N)N2Cc3ccccc3	1062
+c1ccccc1CC2CCC(CC2)N	1063
+Clc1cccc(c1)C(N)Cc2ncccc2	1064
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(N)c2cc1	1065
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(N)c2cc1	1066
+c1cc(ccc1)-c2c(F)cc(C(N)=NO)cc2	1067
+n1c2c(ccc1)cc(cc2)C(=O)N	1068
+NC(=O)c1c(Nc2ccc(I)cc2F)cncc1-c3ccccc3F	1069
+FC(F)(F)c1c(cnn1-c2ccc(Cl)cc2Cl)C(=O)N	1070
+NC1=C(N)C(NC(=O)N1)=O	1071
+C1(N(Cc2c(F)cccc2)C(C(N)=C(N)N1)=O)=O	1072
+c1c(ccc2c1C(Cl)=C(C#N)C(=O)N2C)F	1073
+c1ccccc1C(NC(C2CCN(CC2)C)=O)C(NC3CCCC(N4c5cccc(Cl)c5-c6noc(c6C4=O)C)C3)=O	1074
+C1CC(CCN1C(=O)C(NC(C2CC2)=O)C)CCc3c(nc(C)nc3N)Cl	1075
+c1cc(ccc1)C2C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4c(cccc4)O2)CC#C	1076
+c1ccccc1C2C=CCC(NC(=O)C(NC(=O)C(O)CC(C)C)CC(C)C)C(=O)N2CCOC	1076
+c1cc(ccc1)C2C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4c(cccc4)O2)CC#C	1077
+FC(F)(F)CSCC(=O)NC1C2N(C(C(O)=O)=C(COC)CS2)C1=O	1078
+C1CC(CCC1)CC(C(NC2C(O)CN(CCC)C(CC2)C)=O)NC(=O)c3occc3	1079
+C1CCCCC1C(C(=O)NC(C(O)c2nc3c(cccc3)o2)CC)NC(=O)c4ccc(cc4)-c5c(Cl)cccc5	1080
+C1CSCCN1C2(CC2)C(=O)N3C(C(NC4(CC4)C#N)=O)CC(S(=O)(=O)c5ccccc5Cl)C3	1081
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(N)=O	1082
+CC(C)(C)OC(=O)NC(C(N)=O)Cc1ccc(cc1)S(=O)(=O)c2ccccc2	1083
+c1ccccc1CN(Cc2ccccc2)C3COC(C(N)=O)CC3	1084
+c1(ccccc1F)-c2ccccc2CC(N)=O	1085
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCOCC(=O)N	1085
+CN(C)C(N(CCO)CCCc1ccc(cc1)C#N)=O	1086
+FC(F)(F)c1nc(C2(CCN(CC2)C(Nc3nc4c(ncnc4OC)s3)=O)O)ccc1	1087
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	1088
+O=S(=O)(C)c1cccc(NC(=O)Nc2ccc(cc2)Oc3ccnc4cc(c(cc34)C#N)OCc5ccccc5)c1	1089
+C1COCCN1c2c(C#N)c(-c3c(cc(cc3)Cl)Cl)c(s2)C(=O)N	1090
+FC(F)(F)c1cc(-c2c(C(N)=O)cc([nH]2)-c3ccnc(n3)N)c(Cl)cc1	1091
+c1(cc2c(cc1)cccc2[N+]([O-])=O)C(=O)N	1092
+FC(F)(F)Oc1ccc(cc1)-n2nc(-c3ccc(cc3)CCCNC(=O)NC(Nc4ccccc4CC)=S)nc2	1093
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)NC(=S)N)Cl	1094
+C1(=C(N(N(C1=O)c2ccccc2F)C)C)N	1095
+c1cc(ccc1)CN2CC(CC2)CCN	1096
+c1cc(ccc1Br)NCCN2CCCC2	1097
+C(Oc1cccc(N)c1)CN	1098
+O=S(=O)(n1c2c(cc(cc2)CCN)c3cc(cnc13)Cl)c4ccccc4	1099
+O=S(=O)(n1c2c(cc(cc2)CCN)c3cc(cnc13)Cl)c4ccccc4	1100
+c1c(cc(c(c1)CCN)Cl)Br	1100
+c1(OC)cc(CCN)cc(Br)c1	1101
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)CN)ccc(c1)Br	1102
+C1CC(CCC1CN)C(OCCCC)=O	1103
+c1ccc2ccc3c4c(ccc1c24)ccc3COCCCCCN	1104
+CC(C)(C)OC(N1CCN(CC1)CCCN)=O	1105
+FC(F)(c1c(Cl)cc(Cl)cc1)CN	1105
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	1106
+c1(cc(Oc2cc(c(cc2I)Cl)Cl)ncc1)OCCN	1107
+C1CC(CCC1CN)C(OCCCC)=O	1108
+C1CC(CCC1CN)C(OCCCC)=O	1109
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	1110
+c1c(c([N+]([O-])=O)ccc1)CCN	1111
+c1ccccc1COc2ccc(C(O)CN)c3SC(Nc23)=O	1111
+C1(C(OC(C1O)n2c3c(c(nc(N)n3)O)nc2)CN)O	1112
+C1(C(OC(C1O)n2c3c(c(nc(N)n3)O)nc2)CN)O	1113
+NCC1Cc2c(cccc2)C(N1)=O	1113
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCN	1113
+NCC1Cc2c(cccc2)C(N1)=O	1114
+O=S(=O)(c1cc(ccc1)F)c2ccc3CCC(Oc3c2)CN	1114
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCN	1114
+FC(F)(F)c1nccc(n1)N2CCC(CC2)CN	1115
+c12ccccc1c3c(cccc3)nc2CN	1116
+FC(F)(F)C1(ON=C(C1)c2cc(c(nc2)CN)Cl)c3cc(Cl)cc(Cl)c3	1117
+c1cc(ccc1-n2cnc(CN)c2)N3C=CC=CC3=O	1118
+C(c1ccc2c(c(ccc2)O)n1)N	1119
+NCc1c2c(ccc1)cccn2	1120
+C(c1ccc2ncccc2c1)N	1121
+C1CCCC(n2c3cc(CN)ccc3cn2)O1	1122
+Clc1ccc(I)c(CN)c1	1123
+CC(C)(C)OC(COc1ccc(cc1)CN)=O	1124
+c1c(c(-c2nnsc2)ccc1)CN	1125
+c1c(c(-c2nnsc2)ccc1)CN	1126
+C1CCCCC1(c2ccc(cc2)CN)O	1127
+c1cc(ccc1OCCN2CCCC2)CN	1128
+C(c1ccc2ncccc2c1)N	1129
+c1cc(ccc1CN)-c2ocnc2	1130
+C(c1ccc2ncccc2c1)N	1131
+c1cc(ccc1F)-n2ncnc2-c3ccc(cc3)N=CN(C)C	1132
+NC=1C(NC(=O)N(CCCCC)C=1N)=O	1133
+C(CC)N1C(C(N)=C(N)NC1=O)=O	1134
+NNC(c1cccc(c1)I)=O	1135
+FC(F)(F)COc1c(C2CCCCC2)cc(C(NN(c3nnc(Cl)cc3)C)=O)cn1	1136
+FC(F)(F)c1cc(Oc2cc(C(=O)NN)ccc2)ccc1	1137
+c1c(-c2cncc(Nc3ccc(I)cc3F)c2C(NN)=O)c(ccc1)Cl	1138
+Clc1c(SCCCCl)c(ccc1)NN	1139
+FC(F)(F)C(NCCc1cc(ccc1)NN)=O	1139
+FC(F)(F)C(c1ccc(cc1)NN)O	1139
+c1cc(ccc1F)S(=O)(=O)c2ccc(cc2)NN	1139
+S(CCOc1ccccc1NN)C	1140
+c12OC(C)Cc1cccc2NN	1140
+c1cc(ccc1CCNc2cc(nc(n2)OC)-c3cccc(S(=O)(=O)N)c3)OC	1141
+c1c(C(CCCCCl)=O)cc(N)c2OCCc12	1142
+c1cc(ccc1-c2ncc(nc2)O)N	1142
+c1cc(ccc1N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl)N	1142
+Fc1cc(cc(F)c1N2CCS(=O)(=O)CC2)N	1143
+OP(O)(c1cc(ccc1)N)=O	1143
+c1cc(ccn1)-c2c(F)c(N)ccc2F	1143
+c1ccccc1Oc2cc(N)c(O)cc2	1143
+c1ncncc1Oc2cc(cc(c2)Cl)N	1144
+Clc1c(c(F)ccc1N)Cl	1145
+Nc1ccc2CC3(c4ccccc4NC3=O)Cc2c1	1145
+FC(F)(F)C(N1CCc2ccc(cc2CC1)N)=O	1146
+FC(F)(F)Oc1ccc(O)c(c1)N	1147
+FC(F)(F)c1cnc(-c2c(c(O)c(cc2F)Cl)N)c(Cl)c1	1147
+C(c1cccc(F)c1)n2ncc3cc(ccc23)Nc4c5cc(ncc5ncn4)N	1148
+Nc1cc2c(ncnc2cn1)Nc3cc(Br)c(Br)cc3	1148
+c1ccccc1Nc2nn(cn2)-c3cc(N)ncc3	1149
+C1CCCCC1c2noc(c2)N	1150
+C1CCN(C1)c2nc3cc(ccn3n2)N	1151
+c1cc(ccc1S(=O)(=O)C)-c2cc(sc2-c3ccc(cc3)F)N	1152
+C1CCc2nc3c([n+]([O-])c4ccccc4c3n2OC1)N	1153
+C1CC(CCC1NS(=O)(=O)C(C)C)CNc2nc(cs2)-c3ccccn3	1154
+c1cc(ccc1F)Nc2nc(-c3ccc(cc3)F)cs2	1155
+c1ccccc1OCC(N2CCC(CC2)Cc3ccccc3)C(c4cc5sc(nc5cc4)N)O	1156
+CC(C)(c1cc(ccc1)C(=O)Nc2cccc(Oc3c(c4c(cc3)nc(s4)N)C#N)c2)C#N	1157
+c12c(cccc1)nc(N)c3nc4n(OCCCC4)c23	1158
+c12c(cccc1)nc(N)c3nc4n(OCCCC4)c23	1159
+Nc1sc2c(cc(nc2Br)Br)n1	1160
+c1ccccc1C(c2cc(ccc2F)-c3ccnc(n3)N)O	1161
+n1n2c(c(O)ccc2)nc1N	1162
+n1n2c(c(O)ccc2)nc1N	1163
+c1ccccc1-c2cc3c(N)n[nH]c3nc2	1164
+c1(c(Br)cccc1N2N=C(C(=O)C)C(=O)C(=C2)OC)F	1165
+c1(c(Br)cccc1N2N=C(C(=O)C)C(=O)C(=C2)OC)F	1166
+Fc1c(F)cn(c1)-c2cc(c(N3C=C(OC)C(C(=N3)C(N(C)OC)=O)=O)cc2)OCc4ccccc4	1167
+c1(c(Br)cccc1N2N=C(C(N(OC)C)=O)C(=O)C(=C2)OC)F	1168
+C1CC(CCC1C(=N)NO)C(OC)=O	1169
+o1c(-c2csc(c2)Cl)cc(C3N(C(SC)=NC)C4CC4C3)n1	1170
+o1c(-c2csc(c2)Cl)cc(C3N(C(SC)=NC)C4CC4C3)n1	1171
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)C(NO)=N	1172
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1173
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1174
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1175
+c1cc(ccc1CCC2NC(OC2)=N)NS(=O)(=O)c3cccc4cnccc34	1176
+O=S(=O)(O)N1C(=O)C(C1COC(=O)N)NC(=O)C(=NOCCN=[N+]=[N-])c2nc(sc2)N	1177
+CC(C)(C)[Si](C)(C)OCc1c(nc(Cl)nc1)Nc2n[nH]c(C3CC3)c2	1178
+OB(O)c1cc2ccc(Cl)cc2cc1	1179
+c1ccccc1C#Cc2ccc(cc2)B(O)OC	1180
+CC1(C)OB(OC1(C)C)c2c(F)cc3OCCCc3c2	1181
+FC(F)(F)c1c(C(C(OCC)C(OC)=O)O)ccc(OCc2ccccc2)c1	1182
+C1CC(CCC1O)Oc2cc3CCC(Oc3cc2)c4ccccc4	1183
+C1CC(CCC1c2cccc(F)c2)O	1183
+C1C(CC1)(C(O)CN2CCCCC2)c3ccccc3	1184
+CCOC(=O)C(C(=O)OCC)C(=O)c1c(F)c(OC(F)F)c(c(F)c1)F	1185
+CC(C)(C(OCC)=O)Oc1ccc(cc1)CCCC(=O)O	1186
+CC(C)C(Oc1cccc2c1cc(C)n2Cc3ccccc3)C(=O)OCC	1187
+C1CC(CCC12OCCO2)CC(=O)OC	1188
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1189
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1190
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1191
+N1(C(=O)C)c2cc(C)cc(C)c2C(CCC(=O)O)C1	1192
+c1ccccc1CC(C(OCC)=O)NC(Cn2c3c(cc2)cc(cc3)[N+](=O)[O-])=O	1193
+C1CCCCC1C(C2CCCCC2)CC(=O)NCC(OC(C)(C)C)=O	1194
+c1ccccc1COC(=O)N2CCCC2(Cc3ccccc3)C(NC(C(OC)=O)C(C)O)=O	1195
+c1cc(ccc1N2C(c3c(c(ccc3)C)C2=O)=O)CC(C(OCC)=O)NC(=O)c4c(cc(cc4Cl)-c5[nH]nnn5)Cl	1196
+CC(C)(C)OC(=O)CNC(c1cc(Cl)c(cc1)NC(=O)OCc2ccccc2)=O	1197
+CC(C)(C)OC(=O)CNc1ccc(cc1OCc2ccccc2)I	1198
+c1ccccc1Cn2c(cc3c2cccc3OCC(OC)=O)C	1199
+COc1c(OC)c(cc2cc(ccc12)C=CC(OCC)=O)OC	1200
+COc1c(OC)c(cc2cc(ccc12)C=CC(OCC)=O)OC	1201
+FC(F)(F)C(=O)N(C1CCN(CC1)C(=O)OC2(CC2)C)C3CC3	1202
+C1CN(CCN1c2scc(-c3ccccc3F)n2)C(OCC(C)C)=O	1203
+C1CC(CCN1C(OCCC)=O)Nc2ncc(C(c3ccccc3OC)=O)c(n2)N	1204
+C1CN(CCC1C(=O)OCC)C2CC3(C2)CCN(C(OCC)=O)C3	1204
+CC(C)COC(=O)N(C1CN(C(C2CCN(CC2)c3ccc(C#N)cn3)=O)CC1c4ccc(cc4)Cl)C	1204
+C1CC1NC(Nc2ccc(cc2)-c3nc(N4C(COCC4)C)c5CN(Cc5n3)C(OC)=O)=O	1205
+C1CN(CCC1(c2c(cccc2)C)CNC(=O)OCC)C(=O)OCC	1206
+c1cc(ccc1)S(=O)(=O)n2ccc3c4n(C5CC(NC(=O)OC)CC5)nnc4cnc23	1207
+c1cc(ccc1Br)N2CCC(CC2)NC(=O)OCC	1207
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)NC(=O)OCC(C)C)F	1208
+C1CC1(C(OCC)=O)Oc2cc(NC(OCC)=O)c(F)cc2Cl	1209
+CC(C)OC(Nc1cc(-c2[nH]c3ncc(cc3n2)Br)c(Cl)cc1)=O	1210
+N#Cc1ccc2cc(cc(-c3c4ccccc4ccc3)c2n1)NC(=O)OCC	1210
+N(c1ccc(C)c(c1)C(=O)c2ccc(Nc3c(F)cc(F)cc3)cc2Cl)C(=O)OCC	1210
+O(C(Nc1cccc(NC(C=C(OC)C)=O)c1)=O)CCC	1210
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)NC(=O)OCC(C)C)F	1210
+C1CCCCC1COc2c3nc(c(n3cc(C)c2)C(OCC)=O)C	1211
+Clc1ccc2cc(C(=O)OCC)[nH]c2c1	1212
+c1cc(ccc1-c2cc(C(=O)OCC)nn2CC(C)C)Br	1213
+CC(C)c1onc(c1)C(=O)OCC	1214
+C1CN(CCC12NC(C(c3c(ccc(c3)C)C)=C2O)=O)OC	1215
+FC(F)(c1ncccc1)CO	1216
+C1CC(CCC1C2CCC(CC2)CCC)CCCO	1217
+O(CCO)CCc1cccc2ccccc12	1218
+C(COCc1nccs1)O	1219
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)CO	1219
+C(O)CCc1ncsc1	1220
+C(CCCc1cc(c(cc1)Cl)Cl)O	1221
+c1c(ccc(-c2oncc2CCCO)c1F)F	1222
+c1c(ccc(-c2oncc2CCCO)c1F)F	1223
+O(COC)Cc1c(cc(c(c1OC)OC)OC)[N+](=O)[O-]	1224
+c1cc(ccc1)C(Oc2cc(Cl)c(OCOC)c(C)c2)=O	1225
+c12-c3ccccc3NC(=S)n1nc(CO)c2	1226
+n1c(ccc2ncccc12)CO	1227
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)CO	1228
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)CO	1229
+Clc1cccc(c1)-c2onc(CO)c2	1230
+Clc1cccc(c1)-c2onc(CO)c2	1231
+c1cc(ccc1Oc2ccccn2)CO	1232
+C1CC1(C(=O)Nc2ccc(CO)c(Br)c2)c3cc4OCOc4cc3	1233
+C1CN2CCC1C(C(CCc3ccc(cc3)CO)(O)c4ccccc4)C2	1233
+c1(cc(CO)c(cc1Br)O)F	1233
+C(O)c1c(F)ccc(Br)c1F	1234
+CC(C)(C)c1c(c(C=Cc2ccc(cc2CO)NS(=O)(=O)C)cc(c1)N3C(=O)NC(C=C3)=O)OC	1235
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COCC(N(OC)C)=O)c4	1236
+C1CC(CCO1)Nc2n3c(nc(N4CCCC4)c2)cc(C(=O)N(C)OC)n3	1237
+Clc1cc(cc(Cl)c1CCC(NOC)C)Cl	1238
+c1cc(ccc1)CC(NC(c2c(-n3cc4ccccc4n3)nccc2)=O)C(O)C(=O)NOCC	1239
+c1c(I)cc(c(Nc2c(C(NOCC(O)C)=O)ccc3cncn23)c1)F	1240
+c1c(cc(c(Nc2c(c3c(cc2C(NOCCOC=C)=O)n(cn3)C)Cl)c1)Cl)Br	1241
+Clc1cc(cc(Cl)c1CCCNOC)Cl	1242
+C1(=NO)c2c(c(F)ccc2)OCC1	1243
+c1c(F)c(c(cc1)F)C(=NO)Cl	1244
+c1(cc(cc(Cl)c1CCC=NOC)Cl)Cl	1245
+CC(C)(NC(C(SC)Oc1ccc2c(cc(Br)cn2)c1)=O)C=NOCCCC	1246
+c1ccccc1[Si](c2ccccc2)(N3C(CC3C=NOC)=O)C(C)(C)C	1246
+c1c([N+]([O-])=O)c(cc(c1)C(=O)OC)C=NOC	1247
+O=Cc1c(O)c(c(cc1)Br)F	1248
+CC(C)N1C(=O)c2cc(ccc2C(=N1)Br)O	1249
+O(c1ccnc(O)c1)C	1250
+FC(F)(F)c1cccc(-c2c(O)nc3ccc(cc3c2O)Br)c1	1251
+FC(F)(F)c1cccc(-c2c(O)nc3ccc(cc3c2O)Br)c1	1252
+c1cc2c(c(ncn2)O)nc1Cl	1253
+c1cc(ccc1)C(c2ccccc2)N3C(=O)C(c4ccc(OCc5ccccc5)cc4O)c6c3cccc6	1254
+c1ccccc1-c2nn3ccccc3c2C=4C=CC(N(C5CC(=O)CCC5)N=4)=O	1255
+O=C(Cc1cc(c(-c2ccc(cc2F)F)cc1)F)Cl	1256
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(=O)Cl	1257
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)OCC(Cl)=O	1258
+c1ccccc1COCC(=O)N2CCCN(c3c(Cl)cc(Cl)cc3)CC2	1259
+C1CN(CCC1)S(=O)(=O)c2ccc(c(COCC(=O)N3CCCC3)c2)Cl	1260
+C1CN(CCC1c2ccccc2)C(=O)C3C4(c5ccccc5CCC4)CN(C3)Cc6ccccc6	1261
+C1C(CC1)C(=O)N2CC(c3c4cccc5CCCn(c3)c45)C(c6c7c(cccc7)[nH]c6)C2	1262
+c1nc(ncc1)N2CCN(CC2)C(Cn3c(Br)nc(Br)c3Br)=O	1263
+C1CN(CCN1C(CC2CC2)=O)S(=O)(=O)c3cccc4ccccc34	1264
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2c3c(cccc3)c(cc2)CNC(=O)CC(F)(F)F	1265
+c12c(cccc1)nc(c3c2cccc3)CNC(=O)CCl	1266
+c1ccccc1CNC(COc2ccc(cc2)-c3c(c(CN4C(=O)CCC4=O)nc5c3c6CCS(=O)Cc6s5)Cl)=O	1267
+c1ccccc1-c2ccc(cc2)OCCCC(=O)NO	1268
+c1(ccc(cc1Cl)NCC(=O)NO)Cl	1269
+FC(F)(F)C(N1CCc2cc(NC(=O)CCN3CCN(CC3)Cc4ccccc4)ccc2CC1)=O	1270
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(=O)Nc4[nH]nnn4)c1	1271
+c1(c(sc(n1)NC(CCl)=O)C(=O)c2ccccn2)-c3occc3	1272
+C1CN(CCO1)C(COc2cc(ccc2)NC(=O)CCl)=O	1273
+c1c(F)c(c(cc1N2CCOCC2)F)NC(CC3CCC=C3)=O	1274
+c1cnccc1SCC(Nc2cccc(c2)-c3n4ncc(C(c5sccc5)=O)c4ncc3)=O	1274
+c1cc(ccc1-c2ccc(cc2)S(=O)(=O)OCC(Nc3cc(c(C(=O)O)cc3)O)=O)Cl	1275
+c12c(-c3c(c4c(cccc4)c(n3)O)C1)ccc(NC(=O)CCl)c2	1276
+c1cccnc1N2C(N(CC(Nc3cc4c(CC5(c6cccnc6NC5=O)C4)cc3)=O)CC2)=O	1277
+FC(F)(F)C(N1CCc2cc(NC(=O)CCN3CCN(CC3)Cc4ccccc4)ccc2CC1)=O	1278
+c1c(ccc(-c2oncc2CCC(OC)=O)c1F)F	1279
+C1CCCC1(c2cc(c(Cl)cc2)Cl)C(=O)CBr	1280
+CC(C)(C)OC(CC1(CC2c3c(C1CC2)cccc3)O)=O	1281
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N(C2CC2)C3CCN(CC3)C(CCN4CCC(CC4)O)=O	1282
+c1c(ccc(-c2oncc2CCC(OCC)=O)c1F)F	1283
+C1NCCN(CCNCCNC1)CC(=O)NCc2nc3c(c4ccccc24)cccc3	1284
+c1cc(ccc1)NCC(Nc2c(ccc(Cl)c2)C(=O)O)=O	1285
+FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)Br)ccc1Cl	1286
+O=S(=O)(NCc1cnccc1)c2cccc(c2)C=CC(Cl)=O	1287
+c1cc(ccc1)C=CS(=O)(=O)Nc2cc(ccc2)C=CC(NO)=O	1288
+c1c(cc(cc1)C=CC(=O)NO)NC(C=Cc2cc3OCOc3cc2)=O	1289
+c1ccccc1CS(=O)(=O)n2cc(C=CC(=O)NOC3OCCCC3)cc2	1290
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(NOC3OCCCC3)=O)=O	1291
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)NO	1292
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)NO	1293
+c1cc(ccc1)C=CC(=O)Nc2c(CCN3CCN(CC3)c4nsc5c4cccc5)cccc2	1294
+c1cc(ccc1Cl)Sc2ccc(cc2)CCC(=O)Cl	1295
+c1ccccc1Oc2nccc(n2)C(=O)Cl	1296
+Clc1cc(cc(Cl)c1CN2CCC3(CCCCC3)C2=O)OCc4ccccc4	1297
+c1c(Cl)c(c(cc1Br)Cl)CN2CCC3(CCCCC3)C2=O	1298
+c1cc(ccc1CC(=O)N2C(CCC2)C(=O)Nc3ccc(cc3)Cl)N4CCOCC4=O	1299
+C1CC1NC(=O)C(=O)C(Cc2ccccc2)NC(c3cccnc3-n4cc5ccccc5n4)=O	1300
+c1ccccc1CC(NC(C2N(C(=O)CC2)Cc3ccccc3)=O)C(=O)C(NCc4ccccn4)=O	1300
+C1CC1NC(=O)C(=O)C(Cc2ccccc2)NC(c3cccnc3-n4cc5ccccc5n4)=O	1301
+c1ccccc1CC(NC(C2N(C(=O)CC2)Cc3ccccc3)=O)C(=O)C(NCc4ccccn4)=O	1301
+FC(F)(F)c1cc2scc(N3CCN(CC3)CCC4(CC4)C(=O)NCCCn5ccnc5)c2cc1	1302
+c1cc(ccc1)CC(C(C(NC2CC2)=O)O)NC(c3c(-n4cc5ccccc5n4)nccc3)=O	1303
+c1ccccc1CN2C(CCC2=O)C(NC(Cc3ccccc3)C(C(NCc4ncccc4)=O)O)=O	1303
+C1CC1(C(=O)NC(CO)c2cc(Cl)ccc2)Nc3nc(ncc3Cl)Cl	1304
+FC(F)(F)c1cc(Oc2cc(ccc2)CN(C(NC3CCCCC3)=O)CCN4CCCCC4)ccc1	1305
+C1CN(CCO1)CCNC(=O)Nc2ccc3c(c2)ccc(n3)NC4CCc5c4cccc5	1306
+c1cc(ccc1)C(c2ccccc2)NC(c3c(O)nc(COCc4ccccc4)nc3)=O	1307
+c1cc(ccc1F)-n2ccc(n2)C(NC3CCN(c4nccn5c4nnc5)C3)=O	1308
+c1ccccc1COc2c(c(cc(OCc3ccccc3)c2)Oc4ccc(cc4)[N+]([O-])=O)-c5onc(C(=O)NCCF)c5	1308
+c1ccccc1-n2cnc(n2)C(NC3CN(c4nccn5ccnc45)CC3)=O	1309
+FC(F)(F)CNC(=O)c1ccc(cc1)C=O	1310
+FC(F)(F)c1cc(c(C(=O)NC2C(N)CCCC2)cc1)C3CC3	1311
+c1ccccc1CNC(c2cc(N3NC=C(C3=O)c4cccnc4)ncc2)=O	1312
+FC(F)(F)c1cc(C(NC2C(CN(CCNc3ncccn3)CC2)O)=O)ccc1	1313
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)Cl	1314
+c1cc(ccc1N2C=CC=CC2=O)-n3cc(CNC(c4ccc5c(cc[nH]5)c4)=O)nc3	1315
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)Cl	1316
+C1CSCCN1c2ncc(cc2)CNC(c3ccc(cc3)-c4cc(F)ccc4)=O	1317
+c1c(cc(c(Nc2c(C(NOCCOC=C)=O)ccc3cncn23)c1)F)Br	1318
+c1cc(ccc1)C2C(N3C(C4N(CCN(C4)C(Nc5n(-c6ccccc6)ncc5)=O)C3=O)=O)C2	1319
+c1ccccc1C(c2ccccc2)C(Nc3c(nc(COCc4ccccc4)nc3)O)=O	1320
+c1c(C(=O)Nc2c(ncnc2Cl)Nc3ccnc(Cl)c3)cc(F)cc1	1321
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC4OC(C)(C)OC4)n3	1322
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC4OC(C)(C)OC4)n3	1323
+CC(C)(C)OC(N1CCN(CC1)C(=O)Nc2noc3c2cccc3)=O	1324
+C1CC(CCO1)OC(c2cc(c(cc2)Cl)Cl)C(=O)Nc3sccn3	1325
+c1cc(ccc1C#Cc2ncccc2)C(C(=O)Nc3sccn3)CC4CCCC4	1325
+c1cc(ccc1[N+](=O)[O-])C(=O)Nc2scc(COc3ccc(cc3)CCCCn4ccnn4)n2	1326
+C1CC1C(Nc2cc(ccc2)-c3ccc(nn3)N4CCN(CC4)C5CC5)=O	1327
+C1CC1C(C(Nc2ccc(cc2)Cl)=O)Oc3c4c(cccc4)ccc3	1328
+FC(F)(F)c1cccc(CC(=O)Nc2ccc(Br)cc2C(=O)OC)c1	1329
+C1CN(CCN1)C(=O)Nc2cc(Cl)c(Cl)cc2	1330
+CC(C)(C)OC(N1CC(c2ccc(cc2)NC(OC3CCC(F)(F)CC3)=O)CC1)=O	1331
+c1cc(ccc1)COC(=O)Nc2ccc(c(c2)F)-n3nc(cc3)-c4ccccn4	1332
+c1cc(ccc1)CN2CCN(CC2)c3ccc4c(C(OC(=O)N4)=O)c3	1333
+C(Oc1noc(C(Nc2cc(Cl)c(F)cc2)=O)c1)CCBr	1334
+FC(F)(F)C(c1c(cccc1)NC(c2occc2)=O)O	1335
+c1ccccc1NC(c2cnc(cn2)N3CC(C3)Oc4cc(ccc4Br)F)=O	1336
+FC(F)(F)c1cc(NC(=O)c2ccncc2)c(N3c4c(cccc4)CC3)cc1	1337
+c1ncncc1Oc2cc(NC(c3cccc(Cl)c3)=O)cc(c2)Cl	1338
+c1cc(ccc1NC(=O)c2c(F)cc(F)cc2)C(=O)N3Cc4c(Cc5ccccc35)cccc4	1339
+c1ccccc1NC(=O)c2cccc(-c3ccnc4n3ncc4C(c5sccc5)=O)c2	1340
+FC(F)(F)Oc1cc(c(O)cc1)NC(=O)c2c(cncc2)Cl	1341
+c1ccccc1COc2ccc(Cl)cc2Cn3cc(NC(c4c(Cl)cccc4F)=O)cn3	1342
+c1cc(ccc1)C(c2ccccc2)CC(N3CCN(CC3)CC(=O)OCC)=O	1343
+c1cc(ccc1C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5)COCC(=O)OCC	1344
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCC(=O)O	1345
+c1cc(ccc1)COc2cccc(-c3nc(C(OCC)=O)cs3)c2OCc4ccccc4	1346
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3ncc(-c4ncccc4)cc3	1347
+FC(F)(F)CCCOc1ccc(cc1)C(=O)C(F)(F)F	1348
+FC(F)(F)C(=O)N(Cc1ccnc2ccccc12)C3CC(Cc4ccccc4)N(CC3)C(=O)c5c(cccc5Cl)Cl	1349
+c1cc(ccc1)C(=O)N2CCN(CC2)C3(Cc4cccc(Cl)c4)c5ccc(cc5NC3=O)Cl	1349
+C1N(CC1N2CCN(CC2)C(=O)c3sccn3)C(=O)c4cc5CCN(c6ccc(cc6)F)c5cc4	1350
+CC(C)(C)OC(N(c1ccncc1)CCOc2cc(cc(c2)Cl)C(=O)N(c3cccc(c3)F)CCCn4ncnn4)=O	1351
+C(c1ccc(O)c([N+]([O-])=O)c1)(N2CCOc3ccccc23)=O	1352
+C(c1ccc(O)c([N+]([O-])=O)c1)(N2CCOc3ccccc23)=O	1353
+c1c(F)cc(cc1C(=O)c2cc(c(F)cc2)C#N)F	1354
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)C(=O)OCC	1355
+Clc1cccc(c1)-c2onc(c2)C(=O)OCC	1356
+c1cc(ccc1)COc2cc(cc(Oc3ccc(cc3)[N+]([O-])=O)c2-c4onc(C(OCC)=O)c4)OCc5ccccc5	1357
+c1cc(ccc1Cl)OCc2ccc(cc2)CNC3=C(Nc4ccncc4)C(=O)C3=O	1358
+C1(=O)COCC(c2cc(ccc2)Br)(CO)N1	1359
+c1cc(ccc1)C2COCC(N2)=O	1359
+CC(C)(N1C(c2c(Cl)c(ccc2C1=O)F)O)c3ccccc3	1360
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)C3=NOC(N3)=O)OCC=C(Cl)Cl)Cl	1361
+N1C(C(c2c3c4n(c2)CCc4ccc3)=C(C1=O)c5c[nH]c6ccccc56)=O	1362
+c1cc(ccc1NC(=O)C)N2CCNC2=O	1363
+C1CN(CCC1N2C(Nc3cc(Cl)ccc23)=O)C(=O)OCC	1364
+FC(F)(F)c1c2N=C(N(c3c(Cl)cccc3)C(=O)c2ccc1)CCl	1365
+c1cc(ccc1-c2ccc(s2)C(=O)CCc3c(c(c(O)cc3)Cl)Cl)Br	1366
+C1CCCC1CCCC=O	1367
+C1CC(CCC1)N(CCCCCC=O)C(c2ccccc2)=O	1368
+c1c(ccc(c1Cl)Cl)CCCC=O	1369
+c1cc(ccc1)CON2C(=O)N3C(CCC2C3)C=O	1370
+O=C1c2ccccc2C(=O)N1CC3Cc4c(O3)c5c(CCC5)cc4	1371
+C1(c2c(C(=O)N1CC3COCC3)cccc2)=O	1372
+c1cc(ccc1[N+]([O-])=O)Cn2c3c(cc(Br)cc3)cc2C(=O)OCc4ccccc4	1373
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(OC)=O	1374
+n1c(SCC(=O)NCC2CN(CCO2)Cc3ccc(c(c3)Cl)Cl)scc1C=O	1375
+Clc1cccc(c1)-c2onc(c2)C=O	1376
+n1n2CCOCc2cc1C=O	1376
+c1cc(ccc1)COc2c(ccc(C=O)n2)[N+]([O-])=O	1377
+c1ccccc1-c2sc3c(c(ccc3)C=O)n2	1378
+c1cc(ccc1Nc2c(cnc3c2cc(cc3)Cl)C=O)Cc4ccccc4	1379
+O=S(=O)(n1ccc2c1cccc2)c3cc(C=O)c(cc3)Br	1380
+c1cc(ccc1)-c2c(C=O)cc(cc2)Br	1381
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)N=C=O	1382
+C1CC1COc2cc(ncc2)CS(c3nc4c(cc(F)cc4)[nH]3)=O	1383
+FC(F)(F)S(=O)(=O)Nc1cc(OCc2nc3ccccc3cn2)ccc1	1384
+FC(F)(F)c1cc(c(cc1)S(=O)(=O)Nc2cc(Cl)c(c(c2)Cl)Sc3ccc4ccccc4c3)Cl	1385
+c1ccccc1-n2nc3ncc(NS(=O)(=O)c4ccccc4)cc3c2	1386
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)-c3ccc(Cl)cc3CO2	1387
+C1COCCN1S(=O)(=O)c2cc(ccc2OC)F	1388
+c1cc(ccc1)S(=O)(=O)N2CC(c3cn4c5c(cccc35)CCC4)C(c6c[nH]c7c6cccc7)C2	1389
+CC(C)(C)OC(N1CC2CC(CC(C1)N2S(=O)(=O)c3ccc(cc3)Cl)=O)=O	1390
+CC(C)(C)Sc1ccc(c(c1)Cl)Cc2c3c(ccc(c3)C(NS(=O)(=O)CCCCC)=O)[nH]c2C	1391
+O=S(=O)(C)NC(c1ccc(c(Cl)c1)OCc2cc(F)c(cc2)F)=O	1391
+c1(nc2c(nc(Cl)c(C#N)c2)n1C)C	1392
+C1COCCN1C(c2ccc(OCc3c(noc3C)-c4ccncn4)nc2)=O	1393
+CN(C)C(=O)c1cn2c(nnc2c(NCc3c(cccc3CC)C)c1)C	1393
+C1CCCCN1C(c2cc(C)c(Nc3cnc(C)cc3)nc2)=O	1394
+c1ccccc1C(CO)NC(=O)c2cnc3c(cnn3CC)c2NC4CCOCC4	1395
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)c3cncc(C(=O)Nc4ccc(cc4)Cl)c3	1396
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(=O)OCC)Cl)CC#N	1397
+FC(F)(F)c1ccc2c(c(cnc2c1)CCl)O	1398
+N1(c2c(C(=O)N(c3ccc(Cl)nc13)C)cc(CCl)cn2)CC	1399
+C1CN(CCC1N2CCCCC2=O)Cc3c(-c4ccccc4)nc5ccccc5c3C(OC)=O	1400
+CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12	1401
+CC(C)(C)Oc1ccc(CO)cn1	1402
+c1cc(ccc1OCc2cc3c(nc2)N(c4nc(Cl)ccc4N(C)C3=O)CC)O	1403
+O(c1c(Cl)ncc(CO)c1)C	1404
+O(c1c(cc(CC)c(C)n1)C=O)C	1405
+c1(ccncc1N2CCNC2=O)C	1406
+[nH]1c2c(c(NC(c3nccnc3)=O)c1)c(F)c(cn2)Br	1407
+FC(F)(F)c1cccc(c1)C(Nc2cc(c(C)nc2)I)=O	1408
+c1cc(ccc1Cn2c(cc(NCc3ccccc3)c2)C(=O)C)F	1409
+C1CN(CCN1c2ncc(cc2)Nc3nc4c(c(N)n3)scc4-c5cc(ccc5)NS(=O)(=O)C)CC	1410
+O=S(=O)(N1CC2(C(=O)c3ccccn3)C(=Cc4c(cnn4-c5ccc(cc5)F)C2)CC1)c6ccc(Cl)nc6	1411
+c1cc(ccc1F)-c2nc3n(c2)c(c(s3)C(N)=O)C	1412
+C1CCCCC1c2nc(c(C)o2)C(=O)Cl	1413
+Fc1cccc(F)c1COc2cccn3c2nc(C)c3C(=O)NCC(CC(C)C)(N)C	1414
+c1cc(ccc1CNC(=O)c2sc(nc2C)N)Cl	1415
+CN(C)c1nccc(-c2c(nc3n2cccc3)CN(C4CCCc5c4nccc5)C)c1	1416
+CN(C)c1nccc(-c2c(nc3n2cccc3)CN(C4CCCc5c4nccc5)C)c1	1417
+CN(C)c1nccc(-c2n3ccccc3nc2C=O)c1	1418
+FC(F)(F)c1ccc(cc1)CNc2nc(c(c(N)n2)NC(CC3CCCC3)=O)C	1419
+CC(C)OB(O)c1ccc2c(CCCC2)c1	1420
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(ccc(F)c3)F	1421
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(ccc(F)c3)F	1422
+CC1(C)OB(OC1(C)C)c2c(F)cc3c(c2)CCC(=O)N3C	1423
+c1c(cc(-c2ccc(cn2)C)c(Cl)c1)Br	1424
+c1cc(ccc1Oc2c(ccc(F)c2)F)I	1425
+c1cc(ccc1CCO)Nc2nc(C)cc(C)c2[N+]([O-])=O	1426
+FC(F)(F)Oc1ccccc1-c2cc(c(n2CC3OCCC3)C)C(=O)NC4CCCCC4	1427
+CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1	1428
+c1cc(ccc1)-c2scc(n2)COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC	1429
+c1ccccc1-c2scc(COc3cccc4oc(cc34)-c5nc6n(c5)nc(OC)s6)n2	1430
+FC(F)(F)c1c([n+]([O-])c(cc1)Cl)Cl	1431
+C1CCCCC1(c2ccc(cc2)CNC(c3c(C)nc4ncccc4c3)=O)O	1432
+FC(F)(F)c1ccc(C(NC2CCC2)=O)c(O)n1	1433
+N#CCc1c(C)nccc1	1434
+O(c1c(CCl)cc(F)c(C)n1)C	1435
+O(c1c(CCl)cc(F)c(C)n1)C	1436
+c1(CCl)c(C)nccc1	1437
+c1cc(ccc1C(Nc2c(CNC(=O)C3NC(CC3)=O)cc(F)c(Nc4[nH]nc(c4)C5CC5)n2)C)F	1438
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(c3ccc(c(c3)F)CNS(=O)(=O)C)C	1439
+O(c1c(CO)cc(F)c(C)n1)C	1440
+c1ccccc1C=C2c3nc(C)c(cc3CCC2)C=O	1441
+O(c1c(c(cc(c1OC)OC)C)C(c2c(c(Br)cnc2OC)Cl)=O)C	1442
+O(c1cccnc1OCC(OC)=O)C(C)=O	1443
+O(CC(=O)OC)c1c(O)cccn1	1444
+O(CC(=O)OC)c1c(O)cccn1	1445
+c1(ocnc1)-c2cc(ncc2)-c3c(C)ccnc3OC	1446
+C1CN(CCN1C(Nc2c(nc3c(ccc(F)c3)n2)OC)=O)c4cc(ccc4)C	1447
+c1cc(CNc2nc(SC)ncc2C=O)cc(Cl)c1OC	1448
+CC(C)(C)CN(C)c1c(c(ncn1)Nc2cc(C(NC)=O)ccc2C)NC(=O)C	1449
+O=S(=O)(NC1CCC(CC1)O)c2c(ccc(-c3cnc(N)nc3C)c2)Cl	1450
+C1CC(CCN1c2c(ccc(C)n2)C#N)=CC#Cc3cc(F)cc(F)c3	1451
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1452
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1453
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1454
+FC(F)(F)c1c(nc(cc1)Cl)Cl	1455
+FC(F)(F)c1c(nc(cc1)Cl)Cl	1456
+CN(C)c1c(C#N)ccc(Oc2cc3COB(c3cc2)O)n1	1457
+C1(COc2c(c(F)c(cc2)CCCl)N1C)=O	1458
+N#Cc1cc2c(CCCC2)c(c1OC)I	1459
+FC(F)(F)C(c1cc2c(cc1F)OCC(N2C)=O)(C(C)c3ccc(Br)cc3Cl)O	1460
+C1CC(CCC12OCCO2)c3c(cc(OCOC)cc3)OCOC	1461
+C1CC(CCN1Cc2ccccc2)c3ccc(cc3)OC	1461
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C)cccc2F	1461
+CC(C)(C#N)c1cc(C)c(C(C)NC(=O)Cn2c3c(cccc3nc2)F)cc1	1462
+c1cc(ccc1)COc2c(cccc2-c3ccccc3)C(c4cc(ccc4)-c5c(cccc5)OC)C	1463
+c1cc(ccc1C)C2c3c(cc(Br)cc3)CN(C2)C	1464
+CC(C)C(c1ccc(c(c1)[N+]([O-])=O)NC)n2cncc2	1465
+N(O)=C(CNC(C)=O)c1cccc2ccc(OC)cc12	1466
+c1cc(ccc1-c2cc(c(cc2)OC)C(C)=O)C#N	1467
+COc1cccc(C(=O)C)c1Br	1468
+C1CCC(C1)CC(C(OC)=O)c2cc(c(SC)cc2)Cl	1469
+c1(C)cc(C(CNCCO)O)ccc1[N+]([O-])=O	1470
+CC(C)(C)OC(=O)Nc1c(cc(-c2cc(ccc2F)F)cc1)NC(CC(=O)c3cccc(C#N)c3)=O	1471
+c1cc(ccc1C(Cl)c2ccc3c(c2)c(cc(n3)O)-n4ccnc4)Cl	1472
+ClC(c1cc(C)c(cc1)[N+]([O-])=O)=NO	1473
+CC(C)COc1c(CCC(OCC)=O)cc(C(c2c(OCC(C)C)cc(OCC(C)C)cc2)N)cc1	1474
+NC(=O)c1cc2c(CCCC2)c(c1OC)I	1475
+c1cc(ccc1C(N)=O)-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C	1475
+CC(C)(C)OC(c1ccc(cc1)N(c2cc(OC)c(cc2)C(N)=O)Cc3scnc3)=O	1476
+FC(F)(F)c1cc(C2(SCCCS2)C(O)c3cc(c(cc3)OC(F)F)C)ccc1	1477
+FC(F)(F)c1cc(cc(Cl)c1N)C(O)CN(Cc2ccccc2)CCCCCCOCCc3ncccc3	1478
+FC(F)(F)C(Oc1cc(nc(N)n1)Cl)c2c(cccc2)-c3cscc3C	1479
+c1c2c(OCCO2)cc(C(c3c(ccc(I)c3)Br)=O)c1	1480
+c1cc(ccc1F)CN2C(=O)C(=C(Cl)c3cc(C)ccc23)C#N	1481
+c1cc(ccc1C(Cl)=NO)C	1482
+CC1(C)OB(O)c2c1cc(C(=NO)Cl)c(F)c2	1483
+CC1(C)OB(O)c2c1cc(C(=NO)Cl)c(F)c2	1484
+c1c(c(C(Cl)=O)cc(-c2nnn[nH]2)c1)OC	1485
+c1cc(ccc1OCCCN(C)C)C(Cl)=O	1485
+FC(F)(F)C=1N(C)C(=O)N(c2cc(c(Cl)cc2F)C(=O)Cl)C(=O)C=1	1486
+Clc1cc(cc(Cl)c1OCCCCCCCCCCCC)C(Cl)=O	1487
+c1(C(=O)Cl)cc2c(C(=O)c3c(O2)cccc3)cc1	1487
+c1cc(ccc1-c2ccc(cc2)C(Cl)=O)OCCCCl	1487
+c1cc(ccc1C(Cl)=O)OCC#CC	1487
+c1ccccc1CC(NCCc2c3c(ccc2)ccc(c3)C(=O)Cl)=O	1488
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	1489
+COc1c(C(Cl)=O)c(ccc1)CCCCCCCCCCCCCCC	1490
+C(Cl)(=O)c1ccc(C#N)cc1C	1491
+C1CCCC1Oc2cc(C(=O)Cl)ccc2SC	1491
+CC(C)N1C(C(Oc2cc(C(Cl)=O)ccc12)CC)=O	1491
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	1492
+C1CN(CCN1C(=O)c2c(cc(cc2)Br)S(=O)(=O)C)c3ncc(cc3C4CC4)C5CC5	1493
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(c3cc(S(=O)(=O)C)ccc3SCC)=O	1494
+C1CN(CCC1C(=O)N2CCN(CC2)C(c3ccc(cc3)C#N)=O)c4ccncn4	1495
+C1CCN(C1)C(=O)c2ccc3c(c2)Oc4c(cccc4)C3=O	1496
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCCl	1496
+C1CCN(C1)C(=O)c2ccc3c(c2)Oc4c(cccc4)C3=O	1497
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCCl	1497
+CC(C)(C)OC(NC1CN(CCC1)C(c2ccc(c(c2)[N+](=O)[O-])NC)=O)=O	1497
+c1cc(ccc1C(N(C)C)=O)CNC(N2C(C)CN(c3ccc(c(Cl)c3)C#N)C(C)C2)=O	1497
+C1CC2(CCN1C(=O)c3cc(OC)c4c(n(C5CC5)cc4)c3)Oc6ccc(-c7cc(ccc7)C(O)=O)cc6C(=O)C2	1498
+C1CN(CCO1)C(=O)c2ccc(cc2)Nc3c4n(ccn4)cc(Br)n3	1498
+C1C(CC1)N(C)C(c2cc(ccc2OC)Oc3c(cc(cc3Cl)COC)Cl)=O	1499
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)NCC3CC3	1500
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2nc3c(o2)cc(cc3)C(N(C)C)=O)cc1)C	1501
+c1(I)ccc(C)cc1C(=O)N2C(C)CCCC(COc3ccc(c(C)c3)F)C2	1502
+c1cc(ccc1C(=O)N2c3ccccc3CCc4ccccc4C2)NC(c5c(cccc5)C)=O	1503
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3CCc4nncn4-c5c3cccc5	1503
+c1cc(ccc1-c2cccc(C)c2)C(N3Cc4cccn4Cc5ccccc35)=O	1504
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3CCc4nncn4-c5c3cccc5	1505
+C(C)C(CC)(c1cc(c(C#CC2(CCCC2)O)cc1)C)c3cc(c(C(NC(C)(C)C(OC)=O)=O)cc3)C	1506
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	1507
+C1CN(CCN1CCNC(=O)c2c(OC)c3c(c(Br)c2)cccc3)c4c(c(Cl)ccc4)Cl	1508
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	1509
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	1510
+c1cc(ccc1NS(=O)(=O)C)C(NCCN2CCSCC2)=O	1510
+C(c1ccc(C)nc1)NC(=O)c2cc(cc(c2)-c3ccc(cn3)C)Br	1511
+C1CC(CCN1C(N)=N)CNC(=O)c2cc(OCCc3c(Cl)cc(Cl)cc3)c(OC)cc2	1511
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	1511
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)C(NCCOc3cc(ccc3)C#N)=O)=O	1511
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)O)ccn2)=O	1511
+CC(C)(C)ON=C1c2c(OC(=C1)c3ncn4c(c3)ccc4)ccc(c2)C(=O)NCCN5CCOCC5	1511
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3c(OC)cc(C(=O)NS(=O)(=O)c4ccccc4C)cc3)cn(C)c2cc1	1511
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(=O)NCCC(=O)OC	1511
+Nc1c2c(CCCN2C)c(cc1C(NC3CCCCC3O)=O)Br	1511
+c1cc(ccc1)C(N(S(=O)(=O)c2ccc(cc2)Cl)Cc3ccc(cc3)C(=O)NCCCOC)CC	1511
+c1cc(ccc1)OCC(Nc2ccc(cc2)C(=O)NCCC(OCC)=O)c3oc4c(cccc4)c3C	1511
+c1cc(ccc1C(=O)NCCC(=O)OC)C(=O)CCC	1511
+c1cc(ccc1C(NCc2c(nc(C)cc2C)O)=O)C(C)OCC	1511
+c1cc(ccc1C(c2cc(OC)c(OC)cc2)=O)C(NCCOc3cc(ccc3)C#N)=O	1511
+c1cc(ccc1CCNC(=O)c2cc(-n3cnnn3)cc(-c4ncccc4OC)c2)F	1511
+c1cc(ccc1CN2c3c(C(=O)N(C2=O)Cc4ccc(cc4)C(NCC5COC5)=O)cccc3)C	1511
+c1nc(ncc1C)C2(CC2)NC(c3ccc(C)c(c3)-c4cc5c(c(-c6ccc(cc6)F)oc5cc4)C(=O)NC)=O	1511
+C1CC(CCO1)NC(=O)c2c(Oc3ccc([N+]([O-])=O)cc3F)cc4cnn(C5OCCCC5)c4c2	1512
+Clc1ccc(c(Cl)c1)CCNC(c2ccc3c(c2)ccn3-c4ccc(CC(OC)=O)cc4C#N)=O	1513
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	1513
+C1C2CC3CC(CC1C3N(CC(COc4ccccc4C(NCc5ccc(cc5)C6(N=N6)C(F)(F)F)=O)O)C)C2	1514
+C1CC1NC(=O)c2cc(C=3C(=O)N(C)c4nc(ncc4C=3)SC)c(C)cc2	1514
+c1cc(ccc1)CCNC(=O)c2ccccc2NC(=O)c3ccc(OC)c(Cl)c3	1514
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	1515
+c1(F)cc(cc(F)c1)CC(C(CNCc2cccc(OC)c2)O)NC(c3cc(cc(c3)C(=O)N(CCC)CCC)C)=O	1516
+c1cc(ccc1NC(CCc2cc3c(OCO3)cc2)=O)C(NN=C4c5c(ccc(c5)Br)NC4=O)=O	1517
+c1cc(ccc1C(NN)=O)CCCCCCCCCCCC	1518
+c1ccccc1C(Nc2ccc(cc2)Cc3cn(C)c4ccc(C(=O)NO)cc34)=O	1519
+C1CC(CCC1)c2c3ccc(C(=O)NS(=O)(=O)C4CC4)cc3n5CC(C(=O)OC)=Cc6cc(OC)ccc6-c25	1520
+O=S(=O)(c1ccccc1C)NC(c2ccc(Cc3c4c(ccc(c4)C(OC)=O)n(C)c3)c(OC)c2)=O	1521
+C1CN(CCN1CC)c2cc(C#N)c3c(C(N(c4cc(ccc4C)C(=O)Nc5ccon5)C=N3)=O)c2	1522
+C(C)c1cccc(CC)c1C(=O)Nc2sc(nn2)C(CC)(CC)C	1523
+c1cc(ccc1Oc2cc(cc(C(Nc3sccn3)=O)c2)OC4C(=O)N(C)CC4)-c5oc(C)nn5	1524
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnc(cc2)NC(N3CCCC3)=O)F)CCC	1525
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnc(cc2)NC(N3CCCC3)=O)F)CCC	1526
+c1cc(ccc1C(Nc2ccc(cc2)N3C4C(CC3)N(C)CC4)=O)OCCCC	1527
+c1cc(ccc1N2CCN(CC2)Cc3cccc(C#N)c3)NC(=O)c4cccc(c4-c5ccc(cc5)C(C)C)C	1527
+FC(F)(F)c1cc(ccc1-n2cnc(c2)C)C(Nc3ccc(C)c(c3)NC(c4csc5c4ncnc5NC6CC6)=O)=O	1528
+FC(F)(F)c1c(ccc(NC(=O)c2c(CCCCCCCCCCCCCCC)cccc2OC)c1)C#N	1529
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(Nc4ccccc4)=O)CNC(C)=O	1530
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(OC)=O)CNC(=O)NC	1530
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc3c(nc(o3)-c4cccc(c4)NC(=O)c5cccc(c5)N(C)C)n2	1531
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(F)ccc2C(=O)Nc3c(cccc3)C(Nc4ccc(Cl)cn4)=O	1532
+c1cc(ccc1C(OCC)=O)NC(c2ccc3c(N(S(=O)(=O)c4c(OC)ccc(Cl)c4)CCO3)c2)=O	1532
+c1cc(ccc1NC(c2ccc3c(c2)C(C)(C)CCC3(C)C)=O)C(Nc4c(N)cccc4)=O	1532
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(F)ccc2C(=O)Nc3c(cccc3)C(Nc4ccc(Cl)cn4)=O	1533
+Clc1cncc(Cl)c1NC(c2ccc(SC)c(OC3CCCC3)c2)=O	1534
+c1cc(ccc1C#N)NC(c2ccc(OC)cc2[N+]([O-])=O)=O	1534
+c1ccccc1NC(=O)c2c(Cl)cccc2C	1534
+c1cc(ccc1)CN2CCC(OC(=O)c3cc(c(cc3)[N+]([O-])=O)OC)C2	1535
+O=C1CCC(=O)N1OC(=O)c2c(OCCCN=[N+]=[N-])ccc(c2)C(=O)C	1536
+FC(F)(F)c1ccc(cc1)C(c2c(c3C(CC(C)(C)Oc3cc2C(C)C)=O)C4=CCCCC4)=O	1537
+O=S1(=O)CCN2CCCC(c3ccc(cc3)Oc4ccc(F)c(C)c4)C2=N1	1538
+c1cc(ccc1C(=O)OC)C2C=CC=[N+]([O-])C2=O	1539
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4cccc(C)c4	1540
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4cccc(C)c4	1541
+FC1(F)CCC2(CC1)C(=C(C(N2)=O)c3c(C)ccc(c3)-c4cc(c(Cl)cc4)F)O	1542
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(cc3)C	1543
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(cc3)C	1544
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	1545
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	1546
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	1547
+c1cc(ccc1F)CCc2c(cc(CBr)cc2)C(OC)=O	1548
+c1cc(ccc1OC(=O)C)CBr	1549
+C(Br)c1cc(c(Cl)cc1F)OC	1550
+CC(C)c1cc(cc(C(C)C)c1CBr)C(C)C	1551
+Fc1cc(CBr)c(F)cc1Cl	1552
+FC(F)(F)c1cc(CBr)c(cc1)Oc2cccc(c2)C(C(=O)O)C	1553
+N#Cc1cc(F)c(cc1F)CBr	1553
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CBr)cc1)Br)CC	1553
+c1c(c(Cl)cc(c1)CBr)OCC=C	1553
+c1cc(cc(OCCC)c1OC)CBr	1553
+c1cccc(CCCCCCCCC)c1CBr	1553
+O=S(=O)(N)c1c(c(SC)cc(CBr)c1)Cc2ccccc2	1554
+C(c1cccc2ccc(OC)cc12)C#N	1555
+c1(cc(CC#N)cc2c1OCO2)OC	1556
+C(c1cccc2ccc(OC)cc12)C#N	1557
+c1(cc(CC#N)cc2c1OCO2)OC	1557
+c1cc(ccc1CN2C(=O)N(N=C(OC)C2=O)c3c(CC#N)cccc3)Cl	1557
+c1ccccc1Sc2ccc(cc2C)CC#N	1557
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCc3cc(CC#N)ccc3	1557
+C(C#N)c1cc(c(Cl)cc1F)OC	1558
+C(C#N)c1cc(c(Cl)cc1F)OC	1559
+Cc1cccc(C)c1COc2cccc(CC#N)c2C	1559
+Clc1cc(c(Cl)c(CC#N)c1)OC	1559
+FC(F)(F)COc1c(F)ccc(CC#N)c1	1560
+CC(C)c1c(CC(O)=O)cc2OCOc2c1	1561
+O(C)c1cc(cc(OC)c1OC)CC(=O)O	1562
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN(c3ncccn3)C	1563
+c1cc(ccc1CC2SC(NC2=O)=O)OCCN(c3nc4ccccc4s3)C	1563
+c1cc(ccc1Cl)CCC(=O)C2(CC2)Sc3ccccc3	1564
+C(CO)Cc1c(CC#N)cccc1	1565
+c1cc(ccc1)C(CCc2ccc(cc2)C(=O)O)=O	1566
+c1cc(ccc1C(CCc2cc(OC)c(cc2)O)=O)O	1567
+c1(c(c(c(OC)c(c1C)CC[N+]([O-])=O)C)C)OC	1568
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CC[N+](=O)[O-]	1568
+c1cc(CC[N+](=O)[O-])cc(C)c1OC	1568
+C1CN(CCC12OCCO2)CCc3c(OC)cc4cccnc4c3	1569
+C1CN(CCC12OCCO2)CCc3c(OC)cc4cccnc4c3	1570
+c1cc(ccc1CCC(NCCc2cc(OC)cc(OC)c2)=O)F	1571
+c1(c(c(c(OC)c(CCN)c1C)C)C)OC	1572
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CCN	1572
+c1cc(cc(C)c1OC)CCN	1572
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3cc(ccc3C)CCN)n2)=O	1573
+FC(F)(F)COc1cc(ccc1F)CCN	1573
+FC(F)(F)COc1cc(ccc1F)CCN	1574
+c1(c(c(c(OC)c(CCN)c1C)C)C)OC	1575
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CCN	1575
+c1c(OC)cc(cc1CCN)OC	1575
+c1cc(cc(C)c1OC)CCN	1575
+COc1cc2c(cc1CC=O)nccc2	1576
+c1(c(c(CC=O)ccc1)OC)OC	1576
+FC(F)(F)c1ccc(cc1)-c2sc(CCCc3cc(C)c(OCC(=O)OCC)cc3)c(C)n2	1577
+c1c(OC)c(Cl)ccc1CCl	1578
+c1c2c(cc(c1)CCl)N(c3c(nccn3)S2)COC	1579
+c1c(CCl)c2c(ccc(OC)c2)cc1	1580
+c1(cc(cc2c1OCO2)CCl)OC	1581
+COc1cc(cc(OC)c1Cl)-c2cc(CCl)ccn2	1582
+c12cc(ccc1cc(CCl)cc2)C	1582
+COc1cc(cc(OC)c1Cl)-c2cc(CCl)ccn2	1583
+c1cc(ccc1CCl)-c2[nH]c3ncnc(NCc4ccc(nc4)OC)c3c2	1584
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CCl	1585
+c1cc(ccc1C)S(=O)(=O)Oc2c(ccc(CCl)c2)OC	1585
+ClCc1c(F)ccc(I)c1C	1586
+C1CC1C(Oc2cccc(c2)CCl)C	1587
+CC(C)(C)c1cc(c(OCc2ccccc2)cc1)CCl	1588
+CC(C)(C)[Si](C)(C)Oc1c(OC)ccc(c1)CCl	1589
+c1cc(ccc1N(Cc2ccc(cc2)C#CCCCCCCCC)C(=O)C)C=CC(=O)OCC	1590
+c1cc(ccc1)CNC(=O)N(CC)Cc2c(ccc(-c3cnc(OCC)cc3)c2)-c4cc(CC(OCC)=O)ccc4OC	1591
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)C(OCC)OCC	1592
+C[Si](C)(C)c1ccc(cc1)CN(CCc2cc(ccc2)C(F)(F)F)C(=O)c3c4[nH]ccc4cc(Cl)c3F	1593
+c1ccccc1COC(NC2CCN(C3CCC(N(Cc4ccc(cc4)OC)C)CC3NC(C)=O)C2=O)=O	1594
+c1cc(ccc1)OCCC2(CCN(CC2)Cc3cc(c(cc3)OCC=C)Cl)C(OCC)=O	1595
+C1CN(CCN1c2cc(ncn2)O)Cc3ccccc3C	1596
+c1c(F)cc(cc1CC2NC(OC2C3N(Cc4ccccc4C3)Cc5ccc(cc5)OC)=O)F	1596
+c1cc(ccc1)C(OCCOc2cccc(CN3CC(Nc4c5ccncc5ccc4)CC3)c2)=O	1596
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	1597
+C1CN(CCN1c2ncccc2)Cc3cc4ccc(C)cc4cc3	1597
+c1cc(ccc1CN2CC(C2)C(=O)O)-c3onc(-c4cc(C#N)c(OC(C)C)cc4)n3	1598
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	1599
+C1CN(CCO1)Cc2cc([N+](=O)[O-])c(cc2)[N+](=O)[O-]	1600
+C1CN(CCO1)Cc2cc(c(Br)cc2)F	1600
+C1CCN(C1)Cc2ccc(cc2)NC(=O)c3ccc(Cc4cc(cc5c4oc(C(C)C)c5)Cl)o3	1601
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	1601
+C1CN(CCN1Cc2cc(ccc2OCc3ccccc3)C=O)c4ccccc4	1601
+C1CN(CCN1c2ncccc2)Cc3cc4ccc(C)cc4cc3	1601
+C1COCCN1Cc2cc3c(cc2)n(c(CN(C(=O)c4c(ccc(F)c4)F)CCC)n3)CCC	1601
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cccc(CN(C)C)c4)nc12	1601
+c1cc(ccc1)OCCC2(CCN(CC2)Cc3cc(c(cc3)OCC=C)Cl)C(OCC)=O	1601
+c1cc(ccc1CN2CCC(CC2)c3nnc([nH]3)-c4cnc(cc4)OC)-c5c(cc6c(ccnc6O)n5)-c7ccccc7	1601
+c1cc(ccc1SC)CN2CCN(CC2)CCO	1601
+c1cc(ccc1)CN(C)Cc2ccc([N+](=O)[O-])c(c2)OC	1602
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CN3CCCC3=O)cc1)Br)CC	1603
+C1CCC1N(Cc2ccc(cc2)N3CCN(CC3)C(C)=O)S(=O)(=O)Cc4ccccc4	1604
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(OC)=O)CN3C(=O)c4ccccc4C3=O)[N+]([O-])=O	1605
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C	1606
+c1cc(ccc1C(NCc2c3c(nc(cc3)NCc4oc(C)cc4)ccc2)=O)F	1607
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	1608
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	1609
+c1ccccc1COC(NC2CCN(C3C(CC(CC3)NCc4ccc(cc4)OC)NC(C)=O)C2=O)=O	1610
+c1cc(ccc1)-c2nc3c(cc(OC)c(c3)CNC4C(NCCC4)c5ccccc5)s2	1611
+c1cc(ccc1)-c2nc3c(cc(OC)c(c3)CNC4C(NCCC4)c5ccccc5)s2	1612
+CCCN(CCC)CCCCN1CCc2c(ccc(CNCc3n(ccn3)C)c2)C1	1613
+C1CC1NCc2c(Cl)ccc(c2)CCNC(C)=O	1614
+CCCN(CCC)CCCCN1CCc2c(ccc(CNCc3n(ccn3)C)c2)C1	1614
+FC(F)(F)c1ccc(cc1)CNCc2cc(ccc2Br)OC	1615
+c1ccccc1CCNCc2c(OCCCN3CCOCC3)c(OC)ccc2	1616
+c1ccccc1CCNCc2cc(OC)ccc2OCCCN(C)C	1616
+c1cc(ccc1)Oc2ncccc2NCc3c(O)cccc3	1617
+c1c2c(cc(c1)CNc3c4ccccc4nc(c3)C)N(c5c(nccn5)S2)COC	1618
+CC1(C)C(C)(C)OB(O1)c2c(CNc3ccccc3)ccc4ccccc24	1619
+c1cc(c(CNc2cc(c(Cl)cc2)NC3=C(C(=O)CCC3)C)cc1)C	1620
+ClC(Cl)=C(Cl)c1cc(CN=[N+]=[N-])cc(C)c1	1621
+[N-]=[N+]=NCc1ccc(c(c1)F)C#N	1622
+c1cc(ccc1Oc2cc(ccc2)CN)OC	1623
+CC(C)(C)OC(N1CCC(CC1)Nc2ccccc2CN)=O	1624
+C(c1cc(C#N)cc(-c2onc(n2)-c3ncccc3)c1)N	1625
+c1(Cl)cncc(Cl)c1COC2OCCCC2	1626
+c1c(C)c(c(cc1COC)C)Oc2nc(cc(NC(CC)CC)c2C)C	1627
+Cc1cccc(C)c1-c2c(C)c(COS(=O)(=O)C)ccc2	1628
+CC(C)(C)OC(COc1ccc(cc1COS(=O)(=O)C)Cl)=O	1629
+c1cc(ccc1OCC)COc2cc(C=O)ccc2	1630
+CC(C)(C)OC(N1CCCC(c2cc(-c3c(cccc3O)OCc4ccc(cc4)C)nc(N)n2)C1)=O	1631
+c1cc(ccc1-n2ccc3ccccc23)OCc4ccc(cc4)C#N	1632
+c1cc(ccc1COc2cc(I)cc(Br)c2)OC	1633
+CC(C)(C(=O)OCC)c1ccc(cc1)OCc2ccccc2C(OCC)=O	1634
+c1ccc(OCc2nc3c(cccc3)cc2)cc1COc4cc(ccc4)C#N	1635
+c1(c(cc(C#N)c(c1)F)F)COc2cc(c(Cl)cc2)Cl	1636
+c1(c(cc(C#N)c(c1)F)F)COc2cc(c(Cl)cc2)Cl	1637
+CC(C)(C)OC(NC(C(=O)N(c1ccc(cc1)OC)C)Cc2cccc(CO)c2)=O	1638
+CC(C)(C)CN1C(N(C)c2nc(-c3c(C)ccc(CO)c3)ccc12)=O	1639
+C1CC1C(Oc2cc(ccc2)CO)C	1640
+FC(F)(F)c1cc(CO)cc(-n2nnnc2C)c1	1640
+c12c(cc(cc1sc(Br)n2)CO)F	1640
+c1cc(ccc1F)CCc2ccc(cc2C(OC)=O)CO	1640
+c1c(OC)c(c(cc1-c2nccc(CO)c2)OC)Cl	1641
+C(O)c1c(F)ccc(I)c1C	1642
+CC(C)c1cccc(C(C)C)c1CO	1642
+Cc1cc(cc(C)c1OC)CO	1642
+Nc1cc(c(CO)cc1Cl)OC	1642
+c1c(OC)c(Cl)ccc1CO	1642
+FC(F)(F)c1cc(cc(c1)COS(=O)(=O)C)-n2c(C)nnn2	1643
+c1cc(ccc1Cc2c(C)cc(cc2)OC)C	1644
+c1cc(ccc1)CN2c3cc(ccc3OCC2)Cc4c(C(C)C)ccc(Br)c4	1645
+c1ccccc1CN2CCCc3c2cc(Cc4c(C(C)C)ccc(Br)c4)cc3	1645
+c1cc(ccc1)Cc2cc(OC)c(c(c2)Br)OCCOC	1646
+CC(C)(C)OC(Nc1cc(C)c(c(C)c1)Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)=O	1647
+c1(ccc(Br)c(Cc2cc3c(OCCO3)cc2)c1)I	1648
+c1(ccc(Br)c(Cc2cc3c(OCCO3)cc2)c1)I	1649
+O(c1c(Cc2cc3c(s2)cccc3)cc(Br)c4c1cccc4)C	1650
+c1(cc(cc(OC)c1OC)Cc2ccc(cc2)OC)OC	1651
+C1COCCN1c2cc3c(nc(C)n3Cc4cccc(C)c4F)c(C(=O)OC)c2	1652
+FC(F)(F)c1c(c(Cn2c(nc3c2cc(N4CCOCC4)cc3C(OC)=O)C(F)F)ccc1)C	1653
+c1cc(ccc1)S(=O)(=O)C(=Cc2cc(-c3ncn(C)c3-c4ccc(cc4OCC5CC5)F)ncc2)C#N	1654
+c1cc(ccc1)S(=O)(=O)C(=Cc2cc(-c3ncn(C)c3-c4ccc(cc4OCC5CC5)F)ncc2)C#N	1655
+C1CN(CCN1c2cccc(Cl)c2)CCC=Cc3ccc4c(c3)CCC(N4)=O	1656
+c1cc(ccc1O)C=NNc2nnc(Cl)c(C3CCC3)c2	1657
+c1(C)cc(ccc1[N+]([O-])=O)C=NO	1658
+CC(C)(C)OC(=O)N(C)Cc1cc(F)c(C=NO)cc1	1659
+CC1(C)c2cc(c(F)cc2B(O)O1)C=NO	1660
+FC(F)(F)C1(CC(C)(C)c2c(C=O)cccc2)OC1	1661
+C1CC1COc2c(-c3c(-c4nccc(C=O)c4)ncn3C)ccc(c2)F	1662
+O=Cc1c(N)cccc1OC	1662
+c12c(F)cc(C=O)cc1sc(Br)n2	1662
+c12c(F)cc(C=O)cc1sc(Br)n2	1663
+CC(C)n1c2cc(C=O)ccc2nn1	1664
+CCCN(CCC)CCCCN1CCc2cc(C=O)ccc2C1	1665
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2cc(C=O)c(Cl)cc2	1665
+O=S(=O)(N(c1cccc(c1)C=O)Cc2cccnc2)CC	1665
+c1(cc(cc(C)c1OC)C=O)C	1665
+c1ccccc1-c2sc3c(cc(C=O)c(OC)c3)n2	1665
+c1(cc(c(C)cc1)Br)C=O	1666
+c1cc(ccc1NS(=O)(=O)C)C=O	1666
+c1ccccc1C(c2cc(c(N3CC(C)OC(C3)C)c(c2F)F)C=O)=O	1667
+O=Cc1cc(ccc1Cl)CCNC(C)=O	1668
+CC(C)(C)OC(COc1c2c(C(CCC2)NS(=O)(=O)c3ccc(cc3)-c4ccccc4)ccc1)=O	1669
+FC(F)(F)c1cc2N(CCCC(c2cc1C)N=[N+]=[N-])C(=O)OC(C)(C)C	1670
+FC(F)(F)c1c(cc2C(N)CCCN(C(OC(C)(C)C)=O)c2c1)C	1671
+FC(F)(F)c1c(cc2C(N)CCCN(C(OC(C)(C)C)=O)c2c1)C	1672
+O(C(=O)CCCc1ccccc1N(C(c2cc(c(cc2)Cl)Br)=O)C)C	1673
+O(C(=O)CCCc1ccccc1N(C(c2cc(c(cc2)Cl)Br)=O)C)C	1674
+C1CN(CCN1)c2cccc3n(ccc23)S(=O)(=O)c4c5ccccc5ccc4	1675
+C1CNCCN1c2c3c([nH]c(C(OC)=O)c3)ccc2	1676
+O=S(=O)(N(CCO)c1c(C2CC2)cc3c(nn(-c4ccc(C)cn4)c3C(NC)=O)c1)C	1677
+C(Oc1c2c(C(=O)N(C2=O)c3ccc(cc3)CC(OCC)=O)c(c4c1cccc4)OCC)C	1678
+CC(C)OC(CN1C(N(C(N(C)C1=O)=O)c2c(cc(c(N3C(c4c(C3=O)c(F)ccc4)=O)c2)F)Cl)=O)=O	1679
+c1c(OC)c(ccc1)N2C(=Nc3cccc(Cl)c3C2=O)CCl	1680
+CC(C)(C)OC(=O)NC(C(NC1C(Nc2c(cccc2C1)N3CCCC3=O)=O)=O)CC(C)C	1681
+c1cc(ccc1-c2ccc(cc2C)N3C(CCC3)=O)C(OC)=O	1681
+C1CN(CCN1c2ccc(C(Nc3c4c(n[nH]3)ccc(Cc5cc(F)cc(c5)F)c4)=O)c(NC6CCOCC6)c2)C	1682
+CC(C)Nc1ccc(cc1)C(C(=O)Nc2ccc(cc2)-c3cc(C)ncc3)C	1682
+O=S(=O)(CCCCC)NC(=O)c1cc(c(NC(=O)C)cc1)N(C)Cc2ccc(Cl)cc2Cl	1683
+c1c(NC(C)=O)ccc2OCc3n(cc(C(=O)OC)n3)-c12	1683
+CC(C)N1C(=O)C(CC)(CC)c2cc(NC(C)=O)ccc12	1684
+c1(NC(=O)C)c(Cl)cc(F)c(OCC)c1Br	1684
+c1cc(ccc1NC(=S)N)F	1685
+c1cc(ccc1-c2nc(C)ns2)NC(=S)N	1686
+NC(Nc1cc(ccc1OC)Br)=S	1687
+C(N)(Nc1c(cccc1)OCCC)=S	1688
+CN(C)CCOc1ccccc1NC(=S)N	1688
+C(N)(Nc1c(cccc1)OCCC)=S	1689
+CN(C)CCOc1ccccc1NC(=S)N	1689
+c1ccccc1C(NC(=S)Nc2ccccc2OCCN(C)C)=O	1690
+c1ccccc1C(NC(Nc2ccccc2OCCC)=S)=O	1690
+CC(C)(C)c1nn(C)c(c1Cl)C(Nc2c(c(nc(c2)-c3ccccc3Cl)OC)[N+](=O)[O-])=O	1691
+CC(C)(C)OC(=O)N(C1CC(CCC1)c2c[nH]c3ccc(NC(=N)c4sccc4)cc23)CC	1692
+c1cc(NC(CC(Nc2ccccc2OC)=O)=O)cc(c1Oc3ccnc4cc(sc34)-c5ncn(CCC)c5)F	1693
+C1(C)CN(CC(C)N1)CC(=O)Nc2cccc(c2C)F	1694
+C1CCCCN1CC(Nc2ccc(cc2)C(=O)N3CC4(CC3CC(C)(C)C4)C)=O	1694
+Clc1cc(cc(Cl)c1N2C=3C(=C(N2)C(C)C)C(=O)N=C(Cc4ccc(cc4)NC(=O)CN5CCNCC5)N=3)Cl	1694
+CC(C)(C)c1cc(c(c(c1)NC(C(=O)c2c3ccccc3c(cc2)OCCN4CCOCC4)=O)OC)Cl	1695
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4c(cc(cc4)NC(=O)C5CCOC5)C#N	1696
+CC1(C)CC2(CC(C1)N(C(c3ccc(cc3)NC(=O)CCl)=O)C2)C	1697
+c1cc(c(cc1Cn2c3cccc(NC(=O)CCl)c3cc2C(=O)OCC)Cl)Cl	1698
+c1cc(ccc1C(C)C)C2=NC(=O)N(c3ccc(cc23)OCC#C)Cc4cc(NC(CCl)=O)ccc4	1698
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)Nc2cc(Cl)c(OCC(OCC)OCC)cc2	1699
+C(OCCCl)CC(Nc1ccc(cc1C)C(=O)OC)=O	1700
+c1cc(ccc1-c2cc(C)ncc2)NC(C(c3ccc(cc3)[N+]([O-])=O)C)=O	1700
+C1C2CC3CC1CC(C2)(C3)C(Nc4ccc5nc(N)sc5c4)=O	1701
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4ccc5[nH]c(cc5c4)C(CO)C	1701
+C1CCCC1CC(Nc2cc3c(cc2)n(cc3Cc4c(cc(C(=O)O)cc4)OC)C(=O)C)=O	1701
+CC(C)(C)CC1NC(C(C12c3c(cc(cc3)Cl)NC2=O)c4cc(Cl)cc(c4)F)C(Nc5c(cc(cc5)C#N)OC)=O	1701
+CC(C)(C)OC(NC(C(Nc1ccc(cc1)CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O)=O)CC(C)C)=O	1701
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)Nc2cc(Cl)c(OCC(OCC)OCC)cc2	1701
+O=S(=O)(CC)N1CCN(CC1)c2ccc(cc2)NC(C3CCc4cc(OC)cc(N5CCN(CC5)C)c4O3)=O	1701
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5c(ccc(c5)NC(=O)CN(C)C)C)=O)n2	1701
+c1cc(ccc1C(C)(C)C(Nc2cc(ccc2)OCCOC)=O)S(=O)(=O)C=CC#N	1701
+C1CC(CCC1)C(=O)Nc2cc(ccc2)CCN3CCN(CC3)c4cccc5c4ccc(C)n5	1702
+c1ccccc1C(CC)C(Nc2ccc(c(C(=O)N)c2)I)=O	1702
+CC(C)(C)OC(N(c1c(NC(COc2ccc(cc2)CC3SC(=O)NC3=O)=O)ccc(SC)c1)C)=O	1703
+CC(C)(C)[Si](C)(C)OCC(C(=O)OC)N1C(c2cccc(c2C=C1)NC(C(C)c3ccc(cc3)Cl)=O)=O	1703
+CC(C)(CO)c1n(c2cc(F)c(cc2c1)NC(=O)C3(CC3)c4cc5OC(F)(F)Oc5cc4)CC6OC(C)(C)OC6	1703
+c1cc(ccc1)C(c2ccccc2)C(Nc3ccc(cc3)S(=O)(=O)N(CC)CC)=O	1703
+c1cc(ccc1Oc2ccccc2)CC(Nc3cc4c(nn(c4)CCN(C)C)cc3)=O	1703
+c1cc(ccc1F)CC2CN(CCC2)C3CCC4CN(CC34)C(=O)Nc5cc(-c6n(nnn6)C)cc(CC)c5	1704
+CC(C)(C)c1ccc(cc1)NC(N2C3CN(CC2CC3)c4ncccc4Cl)=O	1705
+C1CCCC1NC(Nc2ccc(cc2)-c3nn(CC)cc3-c4c5cc[nH]c5ncc4)=O	1706
+CC(C)(C)OC(N1CCC(CC1)NC(=O)Nc2c(c(c(cc2I)C)F)F)=O	1707
+c1cc(ccc1-c2nnnn2C)NC(=O)NCCCN3CC(CCC3)Cc4ccc(cc4)F	1708
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(NCCO)=O)=O	1709
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(NCCO)=O)=O	1710
+c1cc(ccc1-c2nnnn2C)NC(=O)NCCCN3CC(CCC3)Cc4ccc(cc4)F	1710
+CC(C)(C)CCNC(Nc1cc(c(Br)cc1F)-c2c(nc3c(cnc(SC)n3)c2)C)=O	1711
+c1ccccc1COC2CCCCC2NC(Nc3c(c(S(=O)(=O)N)c(Cl)cc3)O)=O	1712
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	1713
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	1714
+CC(C)(C)c1cc(n(n1)-c2ccccc2)NC(=O)Nc3cc(Oc4c5cc(OC)c(cc5ncn4)OCCOC)ccc3	1715
+CN(C)CCCOc1ccc(Cl)cc1NC(Nc2ncc(C#N)nc2)=O	1716
+CN(C)CCNc1ncc2C=C(C(=O)N(c2n1)OC)c3cc(NC(=O)Nc4cc(c(cc4)OC)Cl)ccc3Cl	1717
+c1cc(ccc1N(CCCl)CCCl)NC(=O)Nc2cccc(c2)NC(CCN(C)C)=O	1718
+CC(C)S(=O)(=O)c1ccc(NC(=O)N(C)C)cc1C#N	1719
+CC(C)(C)OC(Nc1c(cc(cc1)OCC)C)=O	1720
+CC(C)(C)OC(Nc1ccc(c(-c2ccc(cc2C)C(=O)CC)c1)C)=O	1721
+CC(C)OC(Nc1c(C(OC)=O)ccc(Br)c1)=O	1722
+c1cc(ccc1-c2nn(CC)cc2-c3c4cc[nH]c4ncc3)NC(=O)OC	1722
+C1CCCC1OC(=O)Nc2cc3c(cn(C)c3cc2)Cc4ccc(C(=O)OC)cc4OC	1723
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(=O)Oc5ccccc5)=O	1723
+CC(C)(C)c1cc(c(OC)c(CO)c1)NC(=O)OCC(Cl)(Cl)Cl	1723
+c1cc(ccc1)OC(=O)Nc2cc(-c3n(nnn3)C)ccc2	1723
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)-c3nnnn3C	1723
+c1(cc(Cl)cc(c1NC(c2n(-c3c(Cl)cccn3)nc(Br)c2)=O)Cl)NC(=O)OC	1724
+CN(C)CC1Cc2ccc(cc2CC1)NC(c3[nH]cc(-c4ccc(cc4)Cl)c3)=O	1725
+c1cc(ccc1S(=O)(=O)N2CCC(C)(C)CC2)NC(c3ccc([N+](=O)[O-])o3)=O	1726
+c1cc(ccc1)C(=O)c2ccc(C(=O)Nc3cccc(c3)C=CC(OCC)=O)o2	1727
+c1cc(ccc1)C(=O)c2ccc(C(=O)Nc3cccc(c3)C=CC(OCC)=O)o2	1728
+Cc1cc(cc(C)c1NC(=O)c2sccc2NS(=O)(=O)c3ccccc3)C	1729
+CC(C)C(N1CCN(CC1)c2ccc(NC(c3ncccc3)=O)cc2Cl)=O	1730
+C1C2(CC1)C(=N)NC(CS2(=O)=O)(c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F)C	1731
+CC(C)(C)OC(=O)N=C1NC2(c3c(F)ccc(NC(=O)c4ccc(cn4)Cl)c3)C(CCS1)C2	1731
+c1cc(ccc1OC(F)(F)C)NC(=O)c2cc(c(nc2)Cl)Br	1732
+c1(Cl)c(C(Nc2c(cc(C)cc2)O)=O)cc(Cl)s1	1733
+c1cc(ccc1NC(c2ccccc2)=O)Cc3cn(C)c4ccc(C(=O)OC)cc34	1734
+FC(F)(F)Oc1cc(ccc1)C(=O)Nc2c(cc(Cl)c(Oc3c(C#N)c4sc(NC(=O)C5CC5)nc4cc3)c2)F	1735
+CC(C)(C)c1nc(cc(c1)C(=O)Nc2ccc(c(-n3ccn4c3cc(-c5cccnc5)n4)c2)C)Cl	1736
+O(C(=O)CCCc1ccccc1NC(c2ccc(Cl)c(Br)c2)=O)C	1737
+c1cc(ccc1)COc2c(C(Nc3c(C)cccc3)=O)cc(c(OCc4ccccc4)c2)Br	1737
+CC1(C)C(C)(C)OB(O1)c2c(C)c(cc(F)c2)NC(c3c(cc(C4CC4)cc3)F)=O	1738
+C1CCCN1c2c(c(nc(Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)n2)C)CC(OC)=O	1739
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(OCc3ccccc3)ccc2NC(c4c5ccccc5ccc4)=O	1740
+c1c(Cl)c(c(cc1)Cl)C(=O)Nc2ccc(cc2)CC(C(OC)=O)NC(c3c(cccc3Cl)C)=S	1740
+c1c(Cl)c(c(cc1)Cl)C(Nc2ccc(cc2)CC(NC(=S)C3(CCCC3)CCCCS(=O)(=O)C)C(=O)OC)=O	1740
+c1ccccc1C(=O)Nc2ccc(cc2)CN3CC=C(CCC(OC)=O)C3=O	1740
+C1CN(CCN1c2cccc3nc(C)ccc23)CC(C)c4cc(NC(=O)c5c(F)cccc5)ccc4	1741
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc3c(nc(s3)-c4ccccc4NC(c5cccc(-c6[nH]nnn6)c5)=O)c2	1741
+CC(C)(C)OC(n1c2c(cn1)ccc(c2)NC(=O)c3ccccc3O)=O	1741
+c1(cccc(NC(CCC)=O)c1)NC(=O)c2cccc(Cl)c2	1741
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5cc([N+]([O-])=O)ccc5C)=O)n2	1742
+c1cc(ccc1NC(Nc2ccc(cc2)C#N)=S)NNC=O	1743
+c1ccccc1C(=S)Nc2c(Cl)c(ccc2)C	1744
+FC(F)(F)C(=O)NCC#Cc1cc(NCC2(CCCCC2)O)ccc1	1745
+O=S(=O)(c1ccc(cc1)NCC2CCCC2)C	1746
+c1ccccc1COc2ccc(cc2)CCCNc3ccc(cc3)C(OCC)=O	1747
+FC(F)(F)c1cc(c(cc1)-c2ncnc(Oc3c4c(ccc3)sc(NC(C)=O)n4)c2)NCC5CCCCC5	1748
+CC(C)CNc1cc(ccc1NC(=O)COc2cc(ccc2)OCC)O	1749
+c1cc(ccc1)S(=O)(=O)NC(=O)c2cc(c(NC(C)=O)cc2)NCc3ccc(cc3)OCc4ccccc4	1750
+c1cc(ccc1C(C)C)C(=O)c2cc(OCC#C)ccc2NCc3cc(ccc3)[N+](=O)[O-]	1750
+c1ccccc1CCNc2c(cc(cc2S(=O)(=O)N)C(O)=O)NCc3ccccc3	1750
+FC(F)(F)c1cc(c(CNc2cc(c(cc2)-c3ccc(cc3C)Cl)Cl)cc1)Br	1751
+FC(F)(F)c1cc(-c2c(cc(cc2)NCc3c(cccc3F)F)F)n(C)n1	1752
+CC(C)(C)NS(=O)(=O)c1cc(ccc1S(=O)(=O)CC)NC=O	1753
+FC(F)(F)c1ccccc1-c2nc(O)c3cc(ccc3c2)NC(CNCCO)=O	1754
+c1cc(ccc1-c2c(c3cc(Br)c(cc3o2)NS(=O)(=O)C)C(OCC)=O)F	1755
+C1CN(CCC12Oc3c(C(=O)C2)cc(NS(=O)(=O)C)cc3)C	1756
+C1CN(CCN1C(C)=O)c2ccc(NS(=O)(=O)C)c(c2)C	1756
+CC(C)(C)C1C(=C(C=2N=S(C)(c3cc(ccc3N=2)NS(=O)(=O)C)=O)C(N1Cc4cc(Cl)c(cc4)F)=O)O	1756
+CC(C)(C)OC(NCc1cccc(NS(=O)(=O)C)c1)=O	1756
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(CCC2)Cc3ccc(cc3)NS(=O)(=O)C	1756
+CC(C)(C)c1ccc(cc1)CN2c3c(N(Cc4ccc(cc4)NS(=O)(=O)C)C2=O)cccc3	1756
+O=S(=O)(C)Nc1ccc2c(c1)C3=NC=C(C(OCC)=O)C(=O)N3C=C2C	1756
+O=S(=O)(Nc1ccc2n(CC(OCC)=O)c(cc2c1)C)C	1756
+c1cc(ccc1Cl)-n2c(c3c(n2)cc(NS(=O)(=O)C)c(C4CC4)c3)C(=O)NC	1756
+CC1(C)C(=C(c2ccc(cc2)F)c3c(O1)cc(cc3)NS(=O)(=O)C)F	1757
+FC(F)(F)S(=O)(=O)Nc1cc(c(C)cc1C)N2C(CC2)=O	1758
+O=S(=O)(c1c(CC2CN3CCC2CC3)cc(F)cc1)Nc4ccc5c(c4C(=O)OC)OCC6CC56	1759
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C3C4C(CN(C(=O)CC)C4)C3	1760
+O=S(=O)(Nc1ccc2c(c(C(=O)C)c[nH]2)c1)c3ccccc3	1760
+C1CCCC1c2n3N=C(NC(=O)c3c(C)n2)c4cc(NS(=O)(=O)c5cc(C#N)ccc5)ccc4OCCC	1761
+FC(F)(F)C(NC1C2N(CCC1)c3c(cc(NS(=O)(=O)c4ccccc4)c(Cl)c3)Oc5ccccc25)=O	1761
+FC(F)(F)Oc1cc(ccc1)S(=O)(=O)Nc2cc(c(cc2)OC)C3CN(CC3)C(=O)CC	1761
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)NS(=O)(=O)c4ccc(cc4)C(C)C	1761
+C1CN(CCO1)c2nc(-c3c(c(ccc3)NS(=O)(=O)c4c(F)ccc(c4)F)F)c(-c5ccnc(n5)Cl)s2	1762
+c1c(Cl)c(c(cc1)Cl)Nc2ccccc2CS(=O)(=O)NCCOCCO	1763
+S(C)(Cc1cccc(c1)Nc2nc(ncn2)Cl)(=O)=NC(OCC)=O	1764
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(c(cc2)C)-c3cc(ccc3)Nc4ncccc4Br	1765
+c1c(cccc1O)Sc2c(cc(C)cc2)Nc3ccnc4nc(C)ccc34	1766
+c1c(cccc1O)Sc2c(cc(C)cc2)Nc3ccnc4nc(C)ccc34	1767
+FC(F)(F)c1ccc2c(ccnc2c1)Nc3ccc(cc3)S(=O)(=O)N4CCN(CC4)c5cc(CCC)cc(CCC)c5	1768
+c1nc2c(c(Nc3cc(c(Cl)cc3Cl)OC)c1C#N)cc4cc(c(OCCCl)cc4c2)OC	1769
+c1nc2cc3cc(c(OC)cc3cc2c(Nc4cc(c(Cl)cc4Cl)OC)c1C#N)O	1769
+c1cc(ccc1C(C)(C)C#N)Nc2c3c(ccc(Br)c3)ncc2[N+](=O)[O-]	1770
+c1cc(ccc1Nc2nc(C(N)=O)c(NC(=O)c3ccc(cc3)F)s2)OC	1771
+COc1cc(ccc1Cl)Nc2scc(n2)C(=O)O	1772
+C1CN(CCN1C)c2ccc(cc2)Nc3nc(c(C(c4cc5OCOc5cc4)=O)s3)N	1773
+CC(C)(C)OC(NCCCn1c(Nc2cc(OC)c(c(OC)c2)OC)nc3c1cc(cc3)C(OC)=O)=O	1774
+O=S(=O)(Cc1cc(Nc2nc(c(cn2)F)-c3c(cc(c(F)c3)F)F)cc(c1)F)CCC	1775
+O=S(=O)(c1c(Nc2nc(Nc3c(OC(C)C)cc(c(Br)c3)C)ncc2C)cccc1)C(C)C	1775
+c1cc(ccc1Cl)C2c3nc(nc(c3CC2)N(C)C)Nc4cc(OC)c(cc4)-n5cc(nc5)Cl	1775
+C1CC(CCN1c2cc(OC)c(Nc3nc(c4c(n(C5OCCCC5)cn4)n3)NC6CCCCC6)cc2)N7CCCC(C7)O	1776
+FC(F)(F)c1c(Cl)nc(nc1)Nc2ccc(cc2)C(=O)OCc3ccccc3	1776
+c1cc(ccc1N2CCN(CC2)C)Nc3nc4N(Cc5ccccc5Br)C(=O)C=Cc4cn3	1777
+c1cc(ccc1N2CCN(CC2)C)Nc3ncc4C=C(C(=O)N(Cc5c(F)cccc5C6CC6)c4n3)Br	1777
+CC(C)(C)OC(=O)n1c(cc2ccccc12)-c3cnc(Nc4cc(ccc4)O)o3	1778
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	1779
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	1780
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	1781
+C1CC(CCN1C)Oc2cccc3ncnc(c23)Nc4ccc(c(C)c4)O	1782
+Clc1ccc(N=C=S)cc1-c2c(cncc2)F	1783
+N(=C=S)c1c(c(ccc1Cl)OC)Cl	1783
+OB(O)c1cc(cc(C(O)=O)c1)N=C=S	1783
+c1cc(ccc1CC(=O)OC)Oc2cc(N=C=S)ccc2	1783
+C1COCCN1CC2COc3c(cccc3)N2N	1784
+FC(F)(F)c1ccc(O)c(NC(=O)c2ccncc2I)c1	1785
+c1c(OC)cc(cc1NC(c2c(cccc2F)F)=S)OC	1786
+C1CC(CCO1)Oc2ccc(cc2C=O)I	1787
+CC(C)(C)OC(=O)N1CCC(Oc2ccc(cc2)F)C1	1787
+c1cc(ccc1)-c2c(cc(cc2)-c3nc4cc(c(OC(C)=O)cc4c(O)n3)OC)F	1788
+c1ccccc1C(=O)c2c(OC(=O)C)cc3c(CCC3C(OC)=O)c2	1788
+c1c(OC)c(c(cc1C)OC)OC(=O)C(C(C)OC)Br	1789
+C1CC1(Oc2cc([N+](=O)[O-])c(cc2Cl)F)C(=O)OCC	1790
+C[Si](C)(C)CCOCn1c(-c2ccc(cc2)OCC(Nc3ccc(cc3)C#N)=O)nc4N=CN(C(=O)c14)CCC	1791
+CC(C)(C)OC(=O)COc1ccccc1CC(c2c3ccccc3n(CCCCC)c2)=O	1792
+c12c(Cl)cccc1CCCO2	1793
+ClC(Cl)=CCOc1cc(c(OCOC)c(c1)Cl)C	1794
+c1cc(ccc1)C(=O)COc2ccc(cc2C)CC(N)=O	1795
+C(OC(CCc1c2ccc(cc2sc1)OCCc3nc(NC)ccc3)=O)C	1796
+CC(C)(C)OC(N1CC(c2cc(OCC3CC3)ccc2C1)O)=O	1797
+c1ccccc1CCCOc2cc(ccc2OC)C3CNC(=O)C3	1797
+CC1(C)C(c2c(C1)c(ccc2)OCCCBr)N3CCCCC3	1798
+Cc1cc(cc(C)c1OCCCBr)-c2nc3c(o2)nc(Cc4ccc(cc4)Cl)nc3OCCC	1798
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(OCCCCBr)c3	1798
+c1cc(ccc1OCCCCl)-c2ccc(cc2C)C#N	1798
+CN(C)CCCOc1cc(-c2c(-c3c(C)cccc3)ccc(C(=O)OC)n2)ccc1Cl	1799
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3CCCc4cc(OCCN(C)C)ccc34)C(C)C	1799
+O=S1(=O)CCCN1c2ccc(cc2)-c3c(c4c(cc(OCCN5CCOCC5)cc4)n3CC)C#N	1800
+c1cc(ccc1OCCCN2CCCC2)-n3c(cc(n3)CC)CC	1800
+CC(C)(C)C(=O)OCN1C=Nc2cc(c(cc2C1=O)OC)OCCCBr	1801
+n1c(NCCCOc2cc3c(cc2)n(cc3)C(C(OC)=O)C)c(cnc1Cl)F	1801
+C1CN(CCC1CCCOc2cc(C)c(c(C)c2)Br)c3nc(C(C)C)no3	1802
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(Br)c2)CO	1802
+C1CN(CCC1)CCOc2ccccc2CCNS(=O)(=O)c3ccc(cc3)Oc4ccc(cc4)F	1803
+C1(=O)c2ccccc2C(=O)N1CCCOc3cc4c(N(C(=O)C(C)(C)C(=O)N4C)CC)cc3	1804
+c1cc(ccc1COC(NCCCOc2ccc3c(CN(C)C(C(C3)CC(OC)=O)=O)c2)=O)[N+]([O-])=O	1805
+FC(F)(F)c1ccc(cc1)-c2csc(CCCOc3cc(c(OCC(OC)=O)cc3C4CC4)C)n2	1806
+CC(C)(C)OC(=O)N1CCc2c(cc(OCC3CCN(CC3)c4ccncc4)cc2)C1	1807
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CCOc3ccc(CCC(OC)=O)c(C)c3	1808
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc(C)c(cc2OC)OC(C)(C)C(=O)OC	1808
+c1cc(ccc1OC(C)C)-c2nc(c(o2)C)COc3cc(C)c(cc3)CC(C(OC)=O)OCC	1809
+c1cc(ccc1Cc2noc(c2)-c3ccc(N)nc3N)OCc4nccc(c4)Cl	1810
+c1cc(ccc1Cc2noc(c2)-c3ccc(N)nc3N)OCc4nccc(c4)Cl	1811
+c1cc(ccc1OCc2nn3ccnc3cc2)C4=C(OC(C)(C)C4=O)c5ccc(cc5)OC	1812
+c1(ccc(Cl)cc1-c2c(c3c(nc(nc3cc2)N)N)Cl)OCc4ncccc4	1813
+c1cc(ccc1OCc2nn3ccnc3cc2)C4=C(OC(C)(C)C4=O)c5ccc(cc5)OC	1814
+c1ccnc(N2CCC(F)C2)c1COc3c(c(ccc3)O)C=O	1815
+c1ccnc(N2CCC(F)C2)c1COc3c(c(ccc3)O)C=O	1816
+n1c(cc(COc2c(OC)cc3c(c2)ncnc3Nc4c(cc(Cl)cc4)F)cc1)Br	1817
+Cc1cc(C(c2cc(OCc3cccc(c3)OC)ccc2)=C)ccc1OC	1818
+n1c(cc(COc2c(OC)cc3c(c2)ncnc3Nc4c(cc(Cl)cc4)F)cc1)Br	1819
+CC(C)c1[nH]nc(c1Cc2ccccc2OCc3cccc(Cl)c3)OC4OC(C(C(C4O)O)O)CO	1820
+C1NCC2C(C)c3cc(Cl)c(cc3C12)OCc4cccc(F)c4	1821
+c1ccccc1COc2ccc3c(CCC45C(CN(C(=O)C)C4)CCC35)c2	1822
+CC(C)(C)OC(CC1c2n(c3ccc(OCc4cc(C(F)(F)F)c(CC5CCCCC5)cc4)cc3c2)CC1)=O	1823
+CC(C)(C)OC(CC1c2n(c3ccc(OCc4cc(C(F)(F)F)c(CC5CCCCC5)cc4)cc3c2)CC1)=O	1824
+O(C)c1c(ccc(C=O)c1[N+](=O)[O-])OC	1825
+c1ccccc1COc2cc3c(cc2)ccc(C#N)c3	1826
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1S(=O)(=O)N2CCOCC2)F	1827
+FC(F)(F)S(=O)(=O)Oc1ccc2C=C(c3cc(Cl)ccc3)N(CC(=O)NC(C)C)C(c2c1)=O	1827
+C1CCC(C1)c2cc(C(=O)c3c(sc(C)c3C)Cc4ccc(cc4)Br)ccc2OS(=O)(=O)c5cc(O)c(C(O)=O)cc5	1828
+CC(C)(C)[Si](C)(C)Oc1c(cc(Oc2c(cc(cc2Cl)[N+](=O)[O-])Cl)cc1)C(C)C	1829
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)Sc2cc3C=C(C)C(C)(C)Oc3cc2	1829
+Cc1cc(cc(C)c1Oc2ccc(OC)c(Oc3ccccc3)c2)[N+]([O-])=O	1830
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)C(CCC)C(OCC)=O)Oc3ccc(cc3)F	1830
+FC(F)(F)c1ccc(Oc2cc(ccc2)C(C(=O)O)C)c(c1)C=O	1831
+Clc1cccc(c1)Oc2cc(OC)ccc2C3CN(C(=O)C3)c4cccc(C(=O)N)c4	1832
+Clc1cc(cc(Oc2ccc([N+]([O-])=O)cc2C=O)c1)CC(OC)=O	1833
+C1N(CC1)C(=O)c2cnc(cc2)Oc3cc(C(Nc4nn(C)cc4)=O)cc(OC(C)COC)c3	1834
+c1cnccc1-c2nc(Oc3c(C)cccc3)c(cn2)C(OCC)=O	1835
+C1CCCN1CCOc2ccc(cc2)N(Cc3cccc(OC4OCCCC4)c3)S(=O)(=O)c5c(C#N)cccc5	1836
+c1cc(ccc1S(=O)(=O)NCC(CC(=O)Nc2ccccc2)c3ccc(cc3)Cl)C	1837
+FC(F)(F)c1nn(cc1CO)Cc2cc3CCC(NS(=O)(=O)c4c(cccc4)OC)c3cc2	1838
+FC(F)(F)c1ccc(N2CCCCC2)c(NS(=O)(=O)c3ccc(cc3)C)c1	1839
+c1cc(ccc1S(=O)(=O)C)S(=O)(=O)Nc2c(C(c3cnccc3)=O)cc(cc2)Cl	1840
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(c3c(n4CCCc4c3)cc2)C(=O)OC	1841
+c1cc(ccc1-c2nc(N)sc2C)OC	1842
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	1843
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	1844
+FC(F)(F)c1cc(-c2ccc(cc2)C)n(-c3ccc(F)c(Cl)c3)n1	1845
+Clc1ccc2oc(-c3cc(ccc3)C(=O)OCC)cc2c1	1846
+c1cc(ccc1C=2C(C)(C)OC(=C(C#N)C#N)C=2C#N)-n3nnc(-c4ccc(cc4)N(CC)CC)c3	1847
+c1c(C)c(c(cc1OC)C)-c2csc(N)n2	1848
+c1cc(ccc1F)-c2scc(n2)-c3ccc(cc3)C	1849
+c1cc(ccc1)-c2ccc(cc2F)-c3noc(-c4ccc(cc4)CO)n3	1850
+Clc1ccc(c(Cl)c1)-c2c(CN)c(nc(-c3cc(c4ccn(c4c3)C)OC)n2)N	1851
+c1cc(ccc1-c2nc(on2)-c3ccc(cc3)OCc4ccccc4)Oc5ccncc5	1852
+c1cc(ccc1Oc2ncccc2)-c3nc(on3)-c4ccc(cc4)OCc5ccccc5	1852
+c1cc(ccc1)-c2ccc(cc2F)-c3noc(-c4ccc(cc4)CO)n3	1853
+c1ccccc1Oc2ccc3c(nc(o3)-c4ccc(C=O)cc4F)c2	1854
+c1ccccc1Oc2ccc3c(nc(o3)-c4ccc(C=O)cc4F)c2	1855
+c1cc(ccc1-c2cc([nH]n2)C(OCC)=O)OC	1856
+c1cc(ccc1)COc2cc(Oc3ccc(cc3)-c4oc(C)nn4)cc(c2)C(OC)=O	1857
+c1cc(cc(c1)-c2nnc(o2)-c3cc(OC)ccc3)I	1858
+c1cc(ccc1-c2oc(nn2)-c3cccc(OC)c3)I	1858
+c1cc(ccc1C(OC)=O)-c2cc[nH]n2	1859
+c1cc(ccc1-c2noc(COC(=O)C)n2)CN(C3C(NCCCC3)=O)S(=O)(=O)c4ccc(cc4)Cl	1860
+FC(F)(F)c1c(c2c3c(c1)NC(=O)C(N3C(P(OCC)(OCC)=O)CC2)=O)-n4cccc4	1861
+N1(c2cc(C(=O)OC)cc(c2)-n3nnnc3)C(C=C(C=C1)C)=O	1862
+n1nncn1-c2cc(-c3ccccc3OC)cc(C(=O)OC)c2	1863
+CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c3ccc(cc3)C)n1	1864
+c1cc(ccc1-n2c(ccn2)N)OC	1865
+c1(nc2c(c(F)ccc2)[nH]1)Cl	1866
+C1CCCCN1CCOc2c3c(nc(O)cc3)c(cc2)Cl	1867
+O(n1nnc2c1cccc2)c3nc(c(cn3)C(=O)N)NCc4cnn(C)c4	1868
+c12cc3c(OCO3)cc1c(Cl)ncn2	1869
+c12cc3c(OCO3)cc1c(Cl)ncn2	1870
+n1c2c(c(O)nc1)cc3OCOc3c2	1871
+N(C(N)=O)Cc1cccc2c1C(N(C3C(=O)NC(CC3)=O)C2=O)=O	1872
+C1CN(CCN1CCc2cc(ccc2)N3C(=O)c4cc(ccc4C3=O)C)c5c6c(nc(C)cc6)ccc5	1873
+C1CC(c2c(F)c(cc(F)c12)Br)=O	1874
+c1c(c(c2NC(C(=O)Nc2c1)=O)C)C	1875
+C1(C(=O)Nc2cc(CC)c(cc2N1)CC)=O	1876
+CN(C)CC1CC1c2cc3[nH]cc(C#N)c3cc2	1877
+C(CC#N)c1c(scc1)CCCO	1878
+Clc1cccc(c1)-c2noc(C)c2CO	1879
+c1(CO)c(C)onc1-c2ccncn2	1879
+C1CCCN1CCN2C(c3c(C)c(C=C4C(Nc5c4cc(F)c(N)c5)=O)[nH]c3CC2)=O	1880
+c1cc(ccc1)-n2c3c(cccc3)c(C=O)c2N4CCCCCC4	1881
+C1CCCCN1c2ncnc(COC)c2C	1882
+c1cc(ccc1OC)-c2c(-c3ccccc3OC)oc4ncnc(NCCCCCC(=O)OC)c24	1883
+c1ccccc1Cn2c3cccc(C(=O)OC)c3c4c(cccc24)O	1884
+c1ncc2cc(Br)ccn12	1885
+CC(C)(C)OC(NCCCCNc1c2c(cc(cc2)OCc3ccccc3)ncc1[N+]([O-])=O)=O	1886
+c1ccccc1COc2ccc3c(c([N+]([O-])=O)cnc3c2)NCC(C)(C)N	1886
+c12cc[nH]c1cncc2Br	1887
+c1cc(ccc1CCc2c[nH]c(C(=O)OCC)c2)Cl	1888
+CC(C)Oc1ccc(-c2onc(-c3cccc4c3n(cc4CN5CCC(CC5)C(=O)OCC)C)n2)cc1Cl	1889
+CC(C)c1nc(nc(c1)N2CCOCC2)-c3ccc(cc3)Cl	1890
+CC1(C)CC(O)(CCC1)CNc2ncnc3c2CN(CC3)c4ncc(C)cc4	1891
+c1n[nH]c2cnc3cc(OC)c(OC)cc3c12	1892
+c1cc(ccc1C#N)-n2c3cc(C)nc(C)c3nc2C	1893
+c1cc(ccc1Br)S(=O)(=O)N2c3ccccc3Cn4c(C2)ccc4C(=O)NCc5cnccc5	1894
+CCCCCCCCCCCCc1ccc(C(O)=O)s1	1895
+c1cc(ccc1)N2CCN(CC2)S(=O)(=O)c3sc(cc3)-c4cc(c(O)nc4C)CC	1896
+O=S(=O)(N)c1cc(c(CCOC)s1)C	1897
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(S(=O)(=O)NC3CC3)c(C)n2CC4CCCCC4	1898
+FC(F)(F)C(=O)Nc1cc(ccc1F)N(c2nc3c(nc(N)s3)cc2)C	1899
+FC(F)(F)C(=O)Nc1cc(N(c2nc3sc(NC(C4CC4)=O)nc3cc2)C)ccc1F	1900
+FC(F)(F)C(=O)Nc1cc(N(c2nc3sc(NC(C4CC4)=O)nc3cc2)C)ccc1F	1901
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(Nc4c(C#N)c(CC)nc(N)n4)C)=O	1902
+C1CCCCC1N2C=C(C(c3cnc(nc23)NCCCn4ccnc4)=O)C(OCC)=O	1903
+C1CC2(CCN1c3cnn4c(c3Cl)nnc4CC5CC5)C=Cc6ccccc26	1904
+CC(C)(C)OC(N1CC2(CC(C2)n3cc(Br)cn3)C1)=O	1905
+CC(C)(C)OC(N1CC2(CC(C2)n3cc(Br)cn3)C1)=O	1906
+C[Si](C)(C)CCOCn1c2ncnc(-c3cn(C4(CC(C4)C(OC)=O)CC#N)nc3)c2cc1	1907
+c1c2c(cccc2ccc1F)Cn3c4ccc(cc4c(CC(OCC)=O)c3C(OCC)=O)F	1908
+c1(F)cccc(F)c1C(Nc2cn(Cc3c(OCc4ccccc4)cc(cc3)Cl)nc2)=O	1909
+FC(F)(F)c1nc(-n2cnc(I)c2)nc(-c3cc(Cl)c(Cl)cc3)c1	1910
+c12ccccc1NC(C2=Cc3[nH]cc(C)c3C)=O	1911
+FC(F)(F)c1c(C(N2CCN(CC2)c3sc(cn3)C(OC)=O)=O)cccc1	1912
+C1COCCC1Nc2ncc3C=C(c4cc(C(=O)NC5CC5)ccc4C)C(=O)N(C)c3n2	1913
+c1cc(ccc1Nc2nc(c(C#N)cn2)N)C(NCCCn3ccnc3)=O	1914
+c1cc(ccc1-c2c(-c3ccccc3)nc4c(CCCN4CCCCCCC(OCC)=O)n2)C	1915
+c1cc(ccc1-c2nc3N(CCCCCCC(=O)OCC)CCCc3nc2-c4ccc(cc4)C)C	1915
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c4c(ncc3C#N)cc(c(NC(=O)C)c4)OCC	1916
+c1cc(ccc1)NC(n2c3ccc(cc3cc2)Nc4cc(ncc4C#N)N)=O	1917
+C1CN(CCN1c2c3c(ncn2)cc(OC)c(c3)OC)c4ncc(cn4)O	1918
+C1COCCC1Nc2c(cnc(-c3c4cnccn4nc3)n2)[N+]([O-])=O	1919
+C1CN(CCC1Oc2cc(OC)cc3c2c(Nc4n[nH]c(CC(O)=O)c4)ncn3)C	1920
+c1cc(ccc1)Nc2c(Oc3c(cc(c(C)c3)OC)C(C)C)cnc(N)n2	1921
+c1cc(ccc1C#N)Nc2c3CCC(c3ncn2)OC	1921
+c1c(N)cc(cc1)Oc2c3c(cc(OCCOC)c(OC)c3)ncn2	1922
+C(c1c(nc(nc1N)C)Cn2ccnc2-c3cccc(F)n3)CC	1923
+O1CCOC12Cc3sc4ncnc(Nc5cc(c(F)cc5)Cl)c4c3CC2	1924
+O1CCOC12CCc3c4c(sc3C2)ncnc4Cl	1925
+CC(C)(C)OC(N1CCN(CC1)CCCNc2ncc(c(-c3cc4ccc(cc4s3)C(NC)=O)n2)C)=O	1926
+C1CC1Cc2nc(ncc2-c3nc(NC4COCCC4)ncc3)N	1927
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4ccnc(n4)NC5CC5)C	1927
+CC(C)(CCNc1nc(-c2n3ccnc(C)c3nc2-c4ccc(F)cc4F)ccn1)O	1928
+c1cc(ccc1F)C2CCc3c2nc(Nc4ccc(-n5nc(nc5)C)c(OC)c4)nc3NC	1929
+c1cc(ccc1N2C(C)c3c(N(C2=O)c4cccc(C#N)c4)nc(nc3)Nc5cccc(CCOC(C)=O)c5)OC	1929
+c1c(cc(cc1)Nc2ncc(c(n2)NCc3cc(ccc3)OC)Cl)CCCO	1930
+FC(F)(F)C(c1c(-n2ccnc2)cccc1)Oc3nc(N)nc(Cl)c3	1931
+FC(F)(F)COc1nc(nc(CCl)c1)N	1932
+Cc1sc(CNc2c(C)c(nc(n2)OCCCc3[nH]c4c(cccc4)n3)Cl)c(n1)C	1933
+O(n1nnc2c1cccc2)c3nc(Nc4cccc5c4ccn5C)c(cn3)C(=O)N	1934
+FC(F)(F)c1ncc(cc1)-c2cc(nc(n2)-n3cnc(c3)I)C	1935
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	1936
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	1937
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	1938
+c1c(C)c(C(Nc2ncc(-c3cc(-c4cnn(C)c4)ccc3Cl)nc2)=O)cnc1	1939
+c1(C)cccc(C)c1-c2cnc(c(-c3cc(C)cc(c3)C)n2)-c4cc(C)cc(C)c4	1940
+c1(C)cccc(C)c1-c2cnc(c(-c3cc(C)cc(c3)C)n2)-c4cc(C)cc(C)c4	1941
+c1cc(ccc1C#N)-c2sc(Nc3cccc(c3)NS(=O)(=O)C)nc2	1942
+c1(cc(cc(C)c1)-c2nc(cnc2-c3cc(C)cc(c3)C)Cl)C	1943
+C1CN(CCN1c2ncc([N+]([O-])=O)c(Cl)c2)C	1944
+C1CCN(C1)c2c3cc(c(cc3nc(c2)C)OCc4ccccc4)Br	1945
+FC(F)(F)c1ccc2c(nc(SCC)c(c2N(C)C)C(NCc3cc(ccc3)F)=O)c1	1945
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3c(-c4ccccc4OCC3)nc(N)n2	1946
+c1cc(ccc1-c2nc3C(C)(C)OCc3c(N4CC5CCC(C4)O5)n2)Br	1946
+c1nc2c(c(N)c1)c(OC)ccc2OC	1947
+c1cc(ccc1C(=NNc2cc(nc(CC)n2)-c3ccccc3OC)C)N(C)C	1948
+CN(C)CCNS(=O)(=O)c1cc(Nc2cc(nc3c2cccc3)C)ccc1	1949
+c1ccccc1CCNC(C(Nc2ccc(Oc3c4c(ncc3)cc(c(OC)c4)OCc5ccccc5)c(c2)F)=O)=O	1950
+n1c(COC(CCCCC)=O)nc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)cc1	1951
+n1c(COC(CCCCC)=O)nc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)cc1	1952
+n1c(nc(Cl)cc1)COC(CCCCC)=O	1953
+c1cc(ccc1OCCCCCCCC)-c2ncc(cn2)C(OCC)=O	1954
+c1ncn(c1)CC(c2ccc(c(c2)Cl)Cl)CCOC3OCCCC3	1955
+c1ncn(c1)CC(c2ccc(c(c2)Cl)Cl)CCOC3OCCCC3	1956
+c1ccc2cc3c(cc2c1)cc(cc3)Cn4c(CCCC)nc(Cl)c4C=O	1957
+O=S(=O)(NC)Cc1ccc(cc1)Oc2nc(nc(c2)CN)C	1958
+FC(F)(F)C(=O)NCC1CCC(CC1)Nc2c3cc(OC)ccc3nc(n2)C=Cc4ncccc4	1959
+FC(F)Oc1cc(ccc1)Nc2c3cc([N+](=O)[O-])ccc3nc(-c4nccnc4)n2	1960
+C1CC(CCN1C(=O)CN(C)C)Oc2cc3c(ncnc3Nc4ccc(c(Cl)c4)OCc5nccnc5)cc2	1961
+c1cc(ccc1Sc2c(c(ncn2)CC)F)Cl	1962
+FC(F)(F)c1n(nc(C(=O)OCC)c1)Cc2c(ccc(Br)c2)OCc3ccccc3	1963
+C1CC(CCN1C)c2nn3c(NCCNc4ncc(cc4)C#N)nc(-c5ccc(cc5Cl)Cl)cc3n2	1964
+CC(c1nnc2n1nc(cc2)Cl)c3c(cc4ncccc4c3F)F	1965
+c1(-c2cn3nc(ccc3n2)Cl)cc(ccc1)C#N	1966
+c1(c(NC(=O)OC(c2ccccc2F)C)c(-c3cc(C)c(cc3)Br)on1)C	1967
+c1cccc(c1C)-c2n3c(c(C)n2)c(nc4ccc(F)cc34)C	1968
+c1ccccc1-c2ccc3n-4c5c(cc(cc5c3c2)-c6ccccc6)C(C)(C)c7cc(ccc-47)B(O)O	1969
+OB(O)c1cc(c(cc1)S(=O)(=O)C)F	1970
+FC(F)(F)c1ccc(cc1)C#Cc2ccc(cc2)OC3OCCCC3	1971
+c1cc(ccc1)COc2c(cc(cc2C)C#Cc3cc(cc(c3C=O)OC)OC)C	1971
+FC(F)(F)c1cc(NC(=O)c2cc(c(cc2)C)C#Cc3n4ncccc4nc3)ccc1CN5CCN(CC5)CCO	1972
+c1cc(ccc1C#Cc2cc3c(C(=O)CCC3(C)C)c(O)c2)CC(=O)OC	1972
+c1ccccc1COc2nnc(C#Cc3cc(Cl)ccc3)cc2OCc4ccccc4	1972
+C[Si](C)(C)C#Cc1ccc(cc1F)N2CC(Cn3nnc(C)c3)OC2=O	1973
+C(OC(CCCc1ccc(O)c(C#N)c1)=O)C	1974
+c1(c(NC(C)=O)ccc(C#N)c1F)C	1975
+c1c2c(ccc(C)c2)[nH]c1C#N	1976
+c1ccccc1COc2ccc(Cl)cc2Cn3nc(cc3C)C#N	1976
+CC(C)Nc1nc(cc(n1)C#N)C	1977
+CC(C)Nc1nc(cc(n1)C#N)C	1978
+CN(C)c1n(Cc2ccccc2F)nc(c1)C#N	1978
+c1cc(ccc1OC)C(=O)C(Br)C	1979
+C1CC(CCN1Cc2ccccc2)c3ccc(cc3)OC	1980
+c1cc(ccc1)COc2c(cccc2-c3ccccc3)C(c4cc(ccc4)-c5c(cccc5)OC)C	1981
+c1cc(ccc1C(N)=NO)CC2C3C(=O)N(Cc4ccccc4)C(=O)C3C(C)(C)N2C	1982
+CC(C)Nc1nc(C)cc(C(N)=O)n1	1983
+CC1(C)CC(CC(C)(C)N1CC(F)(F)F)(c2ccc(c(c2)C=3CCC(C)(C)CC=3)NC(=O)c4nc(c[nH]4)C#N)O	1984
+CC(C)(C)c1cc(cc(c1N(C)C)Cl)C(O)C#C	1985
+c1cc(ccc1C(c2cc(OC)c(c(c2)OC)OC)O)OC	1986
+c1cc(ccc1F)C(O)c2ccc(cc2Cl)Cl	1986
+c1cc(ccc1)COc2c(C(c3cc(-c4c(OC)cccc4)ccc3)=C)cccc2-c5ccccc5	1987
+c1cc(ccc1)CN2CCC(=CC2)c3ccc(cc3)OC	1988
+CC(C)(C)OC(=O)N1CCC(c2ccc(cc2)Oc3ccccc3)=CC1	1989
+C1CC(CCC1c2c(F)c(F)c(C=3CCC(CC=3)c4ccc(c(F)c4F)OCC)cc2)CCCCC	1990
+CC1(C)CCC(c2cc(C(=O)C)ccc2N)=CC1	1991
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	1992
+c1cc(ccc1CN2C(c3c(cnc(C(=O)N(C)C)c3CC2)OC)=O)OC	1993
+C1CC(CCC1(C)C)c2cc3c(nc(C)nc3s2)C(=O)N4CCC(CC4)(O)C	1994
+c1cc(ccc1-c2cc(-c3n(c(cc3C)C(=O)N(C)OC)C)ccc2OC)S(=O)(=O)N	1995
+c1cc(ccc1)CN(O)C(=O)c2nccc(N(C)Cc3ccccc3)c2	1996
+CC(C)(C)ON=C1c2c(OC(=C1)c3ncn4c(c3)ccc4)ccc(c2)C(=O)NCCN5CCOCC5	1997
+CC(C)(C)OC(=O)COc1ccc(cc1)CNC(c2ncnc(c2)C(=O)NCc3ccc(c(C)c3)F)=O	1998
+c1cc(ccc1C)C2CCCN2c3nc(cc(Nc4sc(C#N)cn4)n3)C(NC(C)CO)=O	1998
+c1(cccnc1OCC(C)F)Nc2c3c(c(sc3ncn2)C(NCCO)=O)C	1999
+c1ccccc1-c2ccc(cc2)C(=O)Nc3ccsc3C(NCCN4CCCCC4)=O	1999
+[nH]1c(C(NC2CN(c3cccc(C(=O)OC)c3)C2=O)=O)c(Cl)c(c1C)Cl	2000
+[nH]1c(C(NC2CN(c3cccc(C(=O)OC)c3)C2=O)=O)c(Cl)c(c1C)Cl	2001
+c1cc(ccc1)-c2nc3n(ccc(c3)NC(c4c(cnn4Cc5ccccc5)C(=O)OCC)=O)n2	2002
+c1cc(ccc1NC(=O)c2c(Cl)c(c(C)[nH]2)Cl)C#C	2003
+c1cc(ccc1CO)NC(=O)c2ccc(Cc3cc(cc4c3oc(C(C)C)c4)Cl)o2	2004
+FC(F)(F)c1cc(ccc1)N2C(=C(C(c3c(cc(cc3)C#N)C(O)=O)N(C)C2=O)C(=O)OCC)C	2005
+CC(C)(C)c1cc2c(cc(C(=O)O)cc2)cc1	2006
+CC(C)(C)OC(=O)N1c2c(cc(C(=O)O)cc2)CC1	2007
+CC(C)(C)ON=C1C=C(c2ncn3c(c2)ccc3)Oc4ccc(C(O)=O)cc14	2008
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)C(c5cc6ccc(C(=O)NC)cc6cc5)=O	2009
+c1cc(ccc1OC)C(=O)c2c(Cl)c(C)ccc2	2010
+c1c(OC)cc(cc1C(c2cc3c(cc[nH]3)cc2)=O)OC	2011
+C(c1cc2c(cc1)n(C)nn2)(=O)c3cc(OCC)c(OC)cc3	2012
+c1cc2c(cc1C(=O)c3c(F)cc(OC)cc3)ccc(OC)c2	2012
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(c(F)c(c(C(=O)c4ccccc4)c3)F)N5CC(C)OC(C5)C	2013
+C[Si](C)(C)CCOCn1c2ccc(C(=O)c3ccccc3C#N)cc2cc1	2014
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)c4cccc(C)c4	2015
+Fc1cc(cc(F)c1C2CO2)S(=O)(=O)N(c3c(cc(C)cc3)C)CC(C)C	2016
+c1cc(ccc1C(C)N2CCC(c3ccccc3)(CCc4nnc(C)o4)OC2=O)C5=CC(=O)N(C)C=C5	2017
+c1cc(ccc1C(C)N2CCC(c3ccccc3)(CCc4nnc(C)o4)OC2=O)C5=CC(=O)N(C)C=C5	2018
+C1CCC(C1)C(C(OC)=O)c2cc(CC(=C)C)c(O)cc2	2019
+c1(cc(ccc1[N+]([O-])=O)CC(OCC)=O)OC	2020
+CC(C)Cc1c(O)cc(cc1)O	2021
+C[Si](C)(C)CCOC(=O)C(c1c(CCC(=O)c2cccc(C=Cc3nc4c(ccc(Cl)c4)cc3)c2)cccc1)CC	2022
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(OCC)=O)n1	2023
+C1CN2CCC1C(C2)C(c3ccccc3)(O)CCc4ccc(cc4)C(OC)=O	2024
+CC(C)(C)CCc1cccc(N)c1C#N	2024
+c1cc(cc(C)c1OC)CCCCO	2024
+CN(C)CCCc1ccc(c(c1Cl)C)Br	2025
+c1c(OC(C)=O)cc(cc1)CCCCO	2025
+CC(C)(C)N1c2ccc(CCCO)cc2C(=O)C(C(NCc3ccc(cc3)Cl)=O)=C1	2026
+CC(C)(C)OC(=O)c1ccc(cc1)CCCCO	2026
+c1(OC)c(OC)c(cc2nc(ccc12)CCl)OC	2027
+o1c(c(c2c1ccc(Br)c2OC)C)CCl	2028
+C(CCCC)CCOc1ccnc(c1C)CCl	2029
+C1COCCN1Cc2c(F)cc(Br)c(c2)F	2030
+CC(C)(C)[Si](C)(C)Oc1cccc(CN2CCCC2)c1F	2031
+C1CCCCN1Cc2[nH]c3cc(Oc4sc5ccccc5n4)ccc3c2	2032
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5cc(CN)ccc5-c4n3)c1F)F	2033
+C(OC)(c1ccccc1-c2ccc(CN)nc2)=O	2034
+ClC(Cl)=C1C2CCC1c3c2cccc3CNC4CC4	2035
+CC(C)(C)C1CCC(CC1)Oc2ccc3c(c2)ccc(CNC45CCC(CC4)(C(OCC)=O)C(C5)O)c3	2036
+c1(C)cc(cc(C)c1NC(OCC)=O)CNc2cccc(c2)F	2037
+O(COC)c1ccc2ccc(nc2c1C#N)CO	2038
+c1c2c(c([N+](=O)[O-])c(OCOC)c1)nc(CO)cc2	2038
+c1c2nc(cc(Cl)c2ccc1OC)CO	2038
+CC(C)(C)c1ccc(cc1)Cn2c(cc3c2ccc(OC)c3)COC(C)=O	2039
+c1(c(cc(OC)c(COCCCCl)c1)F)F	2040
+c1cccc2nn(nc12)-c3cc(C)cc(c3O)COCCC(C)C	2040
+C(Cc1c(CO)cccc1)CCCCCCC	2041
+c1(OC)c(OC)c(cc2nc(CO)ccc12)OC	2042
+C(CCCC)CCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2	2043
+C(CCCC)CCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2	2044
+c1(cc(cc(OC)c1OC)Cc2ccc(cc2)OC)OC	2045
+c1cc(ccc1Cc2c(c3c(OC(C3)C)c(Br)c2)Cl)OCC	2046
+c1cc(ccc1CC)Cc2ccccc2OC	2047
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C=Cc2cc(C)c(c(C)c2)-c3c(cncc3C)C	2048
+c1cnccc1-c2cccc3c2C(C(=O)N3)=Cc4c(C)c(CCC(O)=O)c(C)[nH]4	2049
+c1c2NC(CCc2cc(c1)C=CCCCl)=O	2050
+c1cc(ccc1S(=O)(=O)N2CCOCC2)C=Cc3ccc(c(OCOC)c3)OCOC	2051
+Clc1ccc(C=NO)c(F)c1C(=O)OC	2052
+c1(C)cc(nc(Cl)n1)C=NO	2053
+c1cc(ccc1Cc2c3c4c(cnc(c4COC)C=NO)[nH]c3ccc2)Cl	2053
+c1(C=O)cc2c(occ2CCNC(C)=O)cc1	2054
+c12ccc(C=O)cc1c3ccccc3n2C	2055
+FC(F)(F)c1cc(cc(C=O)n1)CC	2056
+c1(C)cc(nc(Cl)n1)C=O	2057
+c1c(Oc2nc3c(s2)cccc3)ccc4cc(C=O)[nH]c14	2057
+c1cc(ccc1Cc2c3c([nH]c4cnc(c(COC)c34)C=O)ccc2)Cl	2058
+Clc1cc(Br)c2c(cccn2)c1	2059
+C1(C(Nc2c(c(Cl)c(cc2N1)Cl)C#N)=O)=O	2060
+C1CN(CCC1c2ccc(C(C)=O)cc2Cl)C(=O)C	2060
+C(C(c1ccc(c(Cl)c1)OC)=O)CC(=O)O	2061
+C1CN(CCC1c2ccc(C(C)=O)cc2Cl)C(=O)C	2062
+c1(cc(I)c(C=O)cc1Br)F	2063
+c1c(cc(c(c1)CC)I)Br	2063
+c1cc(ccc1)-c2c(cc(I)cc2)OC	2063
+c1(cc(I)c(C=O)cc1Br)F	2064
+FC(F)(F)c1c(F)c(Cl)cc(I)c1	2065
+C1COCCN1C2CCN(CC2F)c3cccc(-c4n(C)c5ccccc5n4)c3	2066
+c1cc(ccc1[N+]([O-])=O)N2CC3CCC(COc4ccc(cc4)F)CN3CC2	2067
+FC(F)(F)c1cc(C(NCC(=O)NC2CN(CC2)C3CCN(C3)c4ccc(cc4)C(OC)=O)=O)ccc1	2068
+CC(C)(C)OC(=O)C1C(N(CC)c2c(CC1)cc(c(c2)OC)N3CCNCC3)=O	2069
+c1(cc(cc(F)c1Br)S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C)F	2070
+Cc1c(Cl)cc(N)c(N)n1	2071
+CCCCCCCCCCCCc1ccc(O)c(c1)N	2072
+Nc1c2c(ccc1)cnc(c2)COC	2072
+OB(O)c1cc(N)cc(c1)C(O)=O	2072
+c1(cc(C#N)c(C)cc1N)O	2072
+c1ccccc1COc2c(cc(C(=O)C)c(c2)N)OC	2072
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)N	2073
+C1(C)Cc2c3c(c(N)c(c2F)F)C(C(=CN13)C(=O)O)=O	2074
+C1C2(CC1)S(=O)(=O)CC(NC2=N)(c3cc(ccc3F)N)C	2074
+CC(C)C(=O)Nc1c(N)cc(C(OCC)=O)cc1	2074
+c1(ccc(N)cc1-c2nc(O)c3c(n2)c(CCC)ccn3)OCC	2074
+c1c(c(cc(F)c1Br)O)N	2074
+CC(C)N1c2cc(ccc2C(C)(C)C1=O)N	2075
+C1CCC(C1)c2c(OC(=O)OC)cc(c(CCC(=O)OCC)c2)N	2076
+C1CN(CCC12Oc3c(cc(N)cc3)C(=O)C2)C	2076
+FC(F)(F)C(NC1C2c3ccccc3Oc4c(cc(c(N)c4)Cl)N2CCC1)=O	2076
+c1cc2c(CCC(NC(CC)=O)C2)c(N)c1OC	2076
+C1CN(C(=O)CC)CC1c2c(ccc(N)c2)OC	2077
+CCOc1c(F)cc(c(N)c1Br)Cl	2078
+FC(F)(F)c1ccc(C)c(c1)N	2078
+Nc1cc-2c(OCc3n-2cc(C(=O)OC)n3)cc1	2078
+CC1(C)C(N(c2c(N1)cc(N)cc2)C)=O	2079
+c1(NC(=O)C)c(Cl)cc(F)c(OCC)c1Br	2080
+c1c(NC(C)=O)ccc2OCc3n(cc(C(=O)OC)n3)-c12	2081
+c1cc(ccc1C#N)NCCN(S(=O)(=O)c2ccccn2)CC3CCCCC3	2082
+C1CN(CCC12Oc3c(C(=O)C2)cc(NS(=O)(=O)C)cc3)C	2083
+FC(F)(F)C(NC1C2N(CCC1)c3c(cc(NS(=O)(=O)c4ccccc4)c(Cl)c3)Oc5ccccc25)=O	2084
+c1cnccc1C=Cc2cc(ccc2)Nc3cc(ccc3)S(=O)(=O)N	2085
+c1c(I)cc(c(Nc2c(C(=O)OC)ccc3cncn23)c1)F	2086
+FC(F)(F)c1cc(ccc1)Nc2nccc3c([N+]([O-])=O)c(C)ccc23	2087
+c1(cc(C(=O)OC)c(cc1Br)O)F	2088
+S(C)c1ccc(O)cc1Cl	2089
+c1cc(ccc1O)C23CC2CN(C3)C(C)=O	2090
+c1cc(ccc1O)C23CC2CN(C3)C(C)=O	2091
+CC1(C2CN(C(=O)C12)CCCCCC)c3cc(ccc3)O	2092
+O=S(=O)(C)c1cc(C(O)=O)cc(O)c1	2092
+COc1c(C)ccc(c1)O	2093
+CC1(C)CC(=O)c2cc(O)ccc12	2094
+O=S(=O)(C)c1cc(C(O)=O)cc(O)c1	2095
+CC1(C)CC(=O)c2cc(O)ccc12	2096
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(CC(C)C)c3ccc(cc3)C(OC)=O)C	2097
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCOc3ccc(cc3)C	2098
+O=C(OCC)C(C(=O)OCC)CCCOc1cc(ccc1)C#CCCCCCC	2099
+c1cc(ccc1C)S(=O)(=O)NCCc2c(OCCN3CCCCC3)cccc2	2099
+C1CC1CCOc2ccc(cc2)OC3C(=O)NCC3	2100
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CC(OCCCCCC)C(=O)OC	2100
+CC(C)(C)OC(NCc1ccc(cc1)-c2cccc(OCCCCOCc3ccccc3)c2)=O	2101
+c1cc(ccc1OCc2nc3cccnc3cc2)C(=O)Cc4ccncc4	2101
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(C)c(CC(=O)OC)cc3)C)c(C(C)C)n2	2102
+c1cc(ccc1OCCc2ccc(cc2)COC)CC(CC)C(OC)=O	2103
+C1CC(CCCC1)COc2cc(ccc2)C=O	2104
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3c(cc(OC(C)(C)C(OC)=O)c(Cl)c3)Cl)c2	2105
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(C)c(CC(=O)OC)cc3)C)c(C(C)C)n2	2106
+c1cc(ccc1F)OCc2cc(ncc2)Cl	2107
+CC(C)(C)OC(=O)NC1CN(CC1)C(CN(c2ccc(cc2)Oc3ccccc3)C(=O)C=Cc4ccccc4)=O	2108
+c1c(cc2nsnc2c1)Oc3c(cccn3)C(OCC)=O	2109
+C1CC1NS(=O)(=O)c2c(OC)ccc(Oc3c(cc(cc3Cl)CC4C(=O)NC(=O)S4)Cl)c2	2110
+C1CC(CCC1)NS(=O)(=O)c2cc(C(O)=O)c3c(c2)OCCO3	2111
+CN(C)Cc1cc(-c2cc3c(cc2F)n(nc3)C4OCCCC4)cnc1	2112
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cc(cnc3)NC(=O)C(C)(C)C	2112
+O=S(=O)(c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1)N	2112
+c1(CO)c(c(cnc1)-c2cc3CCC(N(c3cc2F)C)=O)C	2112
+c12c(N(C(=O)O1)C)cc(cc2)-c3cnccc3C(C)O	2112
+c1(CO)c(c(cnc1)-c2cc3CCC(N(c3cc2F)C)=O)C	2113
+c1cc(ccc1CC(OCC)=O)-c2c(C)cc(cc2)-c3onc(C)c3NC(OC(c4c(F)cccc4)C)=O	2114
+O=S(=O)(c1ccc(-c2cc(ccc2F)Br)c(OC)c1)CC	2115
+C(=C(C(=O)O)OC)c1cc(c(cc1)-c2cc(ccc2)N(C(=O)NCCCCCCC)C)OCCCC	2116
+CN(C)S(=O)(=O)c1c(cc(cc1)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C)C(O)=O	2117
+c1ccccc1COC(N2CCCC2c3ccc(cc3)-c4cc(NC(C5CC5)=O)ccc4)=O	2117
+Clc1cc(c(cc1)-c2cc(c(cc2)CC)[N+]([O-])=O)F	2118
+C(C)N(CC)C(=O)c1c(c2c(c(-c3ccc(cc3)OC)c1)cccc2)OC	2119
+CC(C)(C)c1cc2C(=O)C(Cc2c(-c3ccccc3)c1OCC(C)C)C	2119
+CC(C)(C)c1cc2ccc3ccc(-c4ccc(cc4)Cl)c5ccc(c1)c2c35	2119
+CC1(C)c2cc(-c3cc(Cl)ccc3)ccc2NC1=O	2119
+c1ccccc1-c2ccc(C)c(C#N)c2	2119
+c1cc(ccc1)-c2cc3c(NC(C3)=O)cc2	2120
+c1cc(ccc1F)C=CC(F)(F)C(O)c2c(C)noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC	2121
+c1ccccc1C(C)CNCc2c(noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)C	2121
+c1ccccc1C2C(C2)C(Nc3c(-c4ccc(cc4)-c5ccc(cc5)C6(CC6)C(=O)OCC)onc3C)C	2121
+c1cc(ccc1-c2cc3OCOc3cc2-c4ccc(cc4)F)S(=O)(=O)N	2122
+c1(c(cc(OC)c(c1)C(=O)O)-c2ccccc2OCC)Cl	2123
+C1CCCCN1c2cc(c(cc2)[N+](=O)[O-])-c3nccc(c3)C=O	2124
+CC(C)(CC1(CCN(C(O1)=O)C(C)c2ccc(cc2)-c3nnc(C)cc3)c4ccccc4)C#N	2125
+C1CC1c2c(cncc2F)-c3cc4CCc5nnc(C)n5-c4c(F)c3	2126
+CCOC(c1c(n(C2COCC2)nc1)-c3ccc(cc3[N+]([O-])=O)-c4c(cc(OCC)nc4C)C)=O	2126
+CC(C)(C)C(NC(=O)c1ccc([n+](c1)[O-])-c2c(c(F)cc(C(NC3CC3)=O)c2)C)C	2127
+FC(F)(F)c1c(c(c(COc2cnc(cc2)-c3ccc(cc3C)CC(=O)OC)cc1)C(OC(C)(C)C)=O)O	2128
+c1cc(ccc1C(CC)(CC)c2cc(C)c(C=CC(CC)(CC)O)cc2)-c3ncc(cc3)CC(OCC)=O	2129
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cncc(c3)NC(Cc4ccccc4)=O	2130
+CC(C)(C(O)=O)c1cncc(-c2ccc3c(CCC(=O)N3C)c2)c1	2131
+CC(C)(CC1(CC(N(C(C)c2ccc(cc2)-c3ccc(O)nc3)CC1)=O)c4ccccc4)O	2131
+FC(F)(F)Oc1cnc(cc1)-c2ccc(C(O)(C(C)(C)C)c3cncnc3)c(C)c2	2132
+O=S(=O)(C)NCc1cc(F)cc(c1)-c2c([N+]([O-])=O)c(ccn2)N	2133
+c1cc(ccc1-c2nc(N)sc2C)OC	2134
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	2135
+c1cc(ccc1)-c2noc3c2c(nc(C(=O)OCC)c3O)-c4cn(Cc5ccccc5)nn4	2136
+c1cc(ccc1C(C)(C)O)-c2cnc3NC(=O)CN(CCC4CCOCC4)c3n2	2137
+CC(C)(C)OC(=O)NC1(CC1)c2ccc(cc2)-c3c(-c4ccccc4)nc5-c6ccccc6Nc7ncccc7-n35	2138
+CC(C)(C)OC(NC(C)c1cc(no1)-c2[nH]c3c(ccc(c3)C(F)(F)F)n2)=O	2139
+CC1(C)OCC(CO1)c2cc(cnc2)-c3nc4cccc(-c5ccccc5)c4c(NCc6ncccc6)n3	2140
+c1cc(cc(c1)-c2c(C)nc3c(c(Cl)ccc3)n2)F	2141
+C1CN(CCC1=O)c2cccc(-c3ccnc(Cl)n3)c2	2142
+c1(C=O)cc(c(C)cc1)-c2ccnc(Cl)n2	2142
+c1c(c(C=O)c(c(c1)-c2ccnc(Cl)n2)C)OC	2142
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)-c4c(F)cncn4)=O	2143
+CC(C)(C)OC(=O)N1CC=C(c2sc(nn2)-c3ccc(-n4cccn4)cc3OC)CC1	2144
+FC(F)(F)c1cc(ccc1OCCCOC2CCCCO2)B(OC(C)C)O	2145
+COB(O)c1cc(c(F)cc1)OC	2146
+OB(O)c1ccc(CCOC(Nc2cccc(C#N)c2)=O)c(CC)c1	2147
+C(=O)(OC)C(C)c1c(F)cc(Br)c(c1)F	2148
+c1(cc(cc(Cl)c1C)Br)Cl	2148
+c1ccccc1C2c3ccc(OC)cc3CCN2	2149
+c1ccccc1C2c3ccc(OC)cc3CCN2	2150
+c1cc(ccc1)C=2c3ccc(cc3CCN=2)OC	2151
+c1c(c(O)c(Cl)cc1)CC=C	2152
+FCC1(CF)Oc2c(cc(I)cc2)C(=C1)C(OCC)=O	2153
+O=S(=O)(c1cc(cc(C(O)=O)c1)N)C	2154
+c1(F)c(Br)cc(C=O)c(N)c1	2154
+c1cc(C(C)C(O)=O)cc(N)c1N	2155
+c1cc(ccc1N)C23CN(CC2C3)C(C)=O	2155
+C1CC(CCN1C(=O)C)c2c(cc(C(=O)C)cc2)N	2156
+CC1(C)CC(c2cc(N)ccc12)=O	2157
+c1(cc(F)ccc1Oc2c3c(nc(cc3)Cl)ccc2OC)F	2158
+C1CNCCN1c2ccc3c(c(ccc3)Br)n2	2159
+CC(C)(C)OC(=O)NC1CCCN(c2ccc(Nc3c(cnc4ccc(nc34)-c5cc(c(c(F)c5)O)Cl)C(C)=O)cn2)C1	2160
+c1(cc2cc(OC)ccc2nc1Cl)[N+]([O-])=O	2161
+c1(cc2cccc(C)c2nc1Cl)[N+]([O-])=O	2161
+c1c2c(ccc(c2Oc3c(cc(F)cc3)F)OC)nc(O)c1	2162
+CC1(C)CC(=O)Nc2cc(ccc12)C(C(=O)OCC)CCCCC	2163
+C1(=O)c2c(NC1=O)c(c(Cl)cc2)C	2164
+c1(O)nnc(c2ccc(OC)cc12)-c3cc(F)ccc3	2165
+Clc1cccc(c1)-c2oc3C=CN(c4cc5c[nH]nc5cc4)C(c3c2)=O	2166
+CC(C)(C)OC(n1c2c(c(OC)ccc2)c(N)n1)=O	2167
+CC(C)(C)OC(=O)N1CCC(CC1)n2c(nc3c2ccc(C)c3)-c4ccccc4	2168
+CC(C)Cn1c2c(nc1COc3cccc(OCC)c3)ccc(O)c2	2169
+CC1(C)c2c(cc3[nH]c(SCc4ccccn4)nc3c2)C(C)(C)CC1	2170
+C1CC(CCN1C)Oc2cc(cc3ncnc(Cl)c23)OC	2171
+C1CN(CCC1Oc2cc(OC)cc3c2c(Nc4n[nH]c(CC(O)=O)c4)ncn3)C	2172
+c1(oc2c(c1)cc(C)cc2)C(=O)OCC	2173
+CC(C)(C)OC(=O)N1C(Cc2oc3ccccc3n2)CCCC1	2174
+FC(F)(F)c1cc2nc(oc2cc1)-c3c(I)cncc3	2175
+c1cc(ccc1)Cn2c(cc3nc(Cl)ccc23)-c4ncco4	2176
+Fc1cccc(F)c1-c2nc3c(s2)c(OC)cc(c3)OC	2177
+Fc1cccc(F)c1-c2nc3c(s2)c(OC)cc(c3)OC	2178
+c1c(OC)c2ccsc2c(F)c1	2179
+c1(cc(F)ccc1Oc2c3c(nc(cc3)Cl)ccc2OC)F	2180
+c1cc(ccc1OC)C(=O)c2cc3c(nc(nc3cc2)Cl)-c4cc(ccc4)Cl	2181
+c1cc(ccc1OC)C(=O)c2cc3c(nc(nc3cc2)Cl)-c4cc(ccc4)Cl	2182
+C1CCCC(n2c(OC)nc3c(nc(OC(CC)C)nc23)N)O1	2183
+CC1(C)CC(N(c2cc3[nH]c(nc3cc12)-c4[nH]nc5ccccc45)CC)=O	2184
+c1cc(ccc1OC)C(c2cc3c(nc(nc3cc2)O)-c4cccc(Cl)c4)=O	2185
+c1(c(c2[nH]ccc2cc1Br)C(=O)O)F	2186
+c1(cc2n[nH]cc2cc1Br)F	2187
+FC(F)(F)c1ccc(cc1C)C#N	2188
+c1cc(ccc1)-c2c(oc(n2)C)-c3ccc4n(c3)c(nn4)C(C)C	2189
+N#Cc1ncc(C)cc1[N+](=O)[O-]	2190
+FC(F)(c1ccc(C)cn1)CO	2191
+n1cc(c2cc(OC)c(cc2c1F)F)OC	2192
+c1cc(-c2c(C)ccc3c2ccnc3NCc4cc(OC)c(cc4)OC)cc5c1nc(NC)nc5	2193
+Cc1nc(c(cc1C(=O)OCC)C#N)NC2CCC(C(=O)O)C2	2194
+c1(cccc(F)c1)COc2nc3c(C(NCC3)=O)cc2	2195
+c1c(Cl)nc2c(C(NCC2)=O)c1	2196
+Nc1cc(OCC#C)c(OC)cc1C(=O)OC	2197
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C)cccc2F	2198
+CC(C)(C)OC(N1CC=C(CC1)c2c(C)cccc2F)=O	2199
+c1c(C)c(c(cc1OCC2CN(C)c3ccccc3O2)C)C(=O)Cl	2200
+CC(C)c1cccc(C(C)C)c1C(Cl)=O	2201
+C(NC(C)=O)Cc1cc2c(OCO2)cc1CC#N	2202
+CC(C)c1c(cc2OCOc2c1)CC#N	2202
+c1cc(ccc1)[Si](c2ccccc2)(Oc3cc(OC)c(c(c3)OC)CO)C(C)(C)C	2203
+Nc1c(O)c(Cl)cc(F)c1N2N=NN(CCCF)C2=O	2204
+O=S(=O)(O)c1cc(c(cc1OC)OC)N	2204
+c1cc(ccc1S(=O)(=O)N)-c2cc(-c3c(C)c(c(s3)C(OC)=O)C)ccc2OC	2205
+FC(F)(CNC(c1ncccc1C)=O)c2c(cc(Cl)cc2)Cl	2206
+CC(C)(C)OC(=O)NC1=NC(c2c(c(F)cc(c2)NC(=O)c3ncc(C#N)cc3C)F)(COC1)C(F)F	2207
+FC(F)(F)c1c2c(c(C3CCN(CC3)C(=O)C)cs2)ccc1	2208
+C1Cc2c(CC1)c(NC(=O)C)cc(F)c2C	2209
+Fc1c(F)c2c(c(NC(=O)C)c1)CCCC2	2209
+C[Si](C)(C)CCOCn1cc(nc1-c2ccc(cc2Cl)-c3c(cc(nc3)OCC4(CCC4)C(OCC)=O)C)C(F)(F)F	2210
+Clc1ccc(c(Cl)c1)-c2cnc(cc2C#N)N	2211
+CC1(C)Cc2c(O1)cc(cc2-c3cnc(N)c(c3C)C#N)Cl	2212
+FC(F)(F)c1c2c(n(c(n2)Oc3c(C)cc(Cl)cc3Cl)C)c(C(CC)CC)cc1	2213
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3sc(NC(=O)C4CC4)nc3cc2)c(Cl)cc1F)=O	2214
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3sc(NC(=O)C4CC4)nc3cc2)c(Cl)cc1F)=O	2215
+C1CN(CCN1C)c2c3nc(-c4[nH]nc5c4ccc(Br)c5)[nH]c3ccc2	2216
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3c(nc(N)s3)cc2)c(Cl)cc1F)=O	2217
+c1c(C(=O)OC)sc2c(F)ccc(OC)c12	2218
+C1CN(CCO1)c2ccc(c3nc(N)sc23)OC	2219
+c12C(CCc1c(cc(Br)c2F)F)O	2220
+c1cc(ccc1Oc2c3c(ccc2)c(c(nc3C#N)C(=O)OC)O)OC	2221
+C1CNCCN1c2c(cccn2)OC	2222
+c12CCCCc1nc(c(c2)[N+]([O-])=O)N	2223
+S(c1cc(Oc2c(nccc2)CC)c(N)nc1)c3ccccn3	2224
+O(c1c(OCC)cccn1)C	2225
+c1ccccc1-c2nnc(Cc3ccc(cc3)Oc4ncccc4-c5ccnc(n5)NC)c6ccccc26	2226
+c1cc(ccc1-c2c(O)nccc2)C(OC)=O	2227
+c1cc(ccc1-c2c(O)nccc2)C(OC)=O	2228
+CC(C)(C)OC(=O)N1CCc2c(cc(cc2)-c3c(cccn3)OCc4cc(C)ccn4)CC1	2229
+c1ccccc1COc2c3n(ccc2)cnc3	2230
+c1(-n2cc(nc2)CO)c(cc(cc1)Nc3nc(nc(Cl)n3)OC)OC	2231
+CC(C)c1ccc(nn1)N	2232
+C1C(CN1c2nc(C)nc(-n3nc(nc3C)C)c2)c4nc5ccccc5[nH]4	2233
+C1COCCN1c2cc3c([nH]c(n3)C(F)F)c(C(=O)OC)c2	2234
+C(c1cnn(c1)CCF)#Cc2cc(-c3cccnc3F)ccc2	2235
+FC(F)(F)c1nn(cc1C(N(C2CCN(CC2)c3nnc(c(C)c3C)-c4ccc(cc4)F)C)=O)Cc5ccc(cc5)OC	2236
+c1([N+]([O-])=O)ccc2c(cn(c2c1)C)C(=O)O	2237
+[nH]1c2c(c(C(=O)c3cc([N+]([O-])=O)ccc3)c1)cc(cn2)-c4cnccc4	2238
+CC(C)n1cc(-c2nc(N)ncc2)c(I)n1	2239
+Clc1cc(cc(Cl)c1)-c2ccn[nH]2	2240
+c1cnccc1-c2cc[nH]n2	2240
+C1CN(CCO1)C(c2c(n(C)nc2)C(=O)Nc3cc4n(nc(N5CCCC5)n4)cc3)=O	2241
+C1COCCN1c2nn3cc(NC(c4c(cnn4C)C(N5CC(C5)F)=O)=O)ccc3n2	2241
+C1C(CN1c2ncnc3c2c(I)nn3C)F	2242
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+c1cc(nc(Cl)c1OCOC)C#N	2245
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	2246
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+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(N)=O)n(C)n4	2250
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(N)=O)n(C)n4	2251
+c1cc(ccc1Cn2nc(cc2-c3cc(C)c(Cl)cc3)C(Cl)=O)C	2252
+CC1CCCC(C)N1C(=O)c2csc(n2)Br	2253
+C1COCCN1CCNC(=O)c2cc(c([nH]2)C=O)C	2254
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(n(C)n4)C(Cl)=O	2255
+c1(CCC(OCC)=O)[nH]cc(c1)CCCC	2256
+ClCc1nc2c(cc3c(c2)CC4(c5cccnc5NC4=O)C3)cc1	2257
+ClCc1nc2c(cc3c(c2)CC4(c5cccnc5NC4=O)C3)cc1	2258
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+CC(C)(C)OC(=O)Nc1nc(CN2CCCC2)ccc1	2260
+CC(C)(C)OC(=O)N(C)CCCCN(Cc1c(C)cc(cn1)C)Cc2nccc3c2cccc3	2261
+O=C1c2ccccc2C(=O)N1CCCCN(C3c4c(CCC3)cccn4)Cc5nc6ccccc6n5C	2262
+CC(C)(C)OC(=O)N(C)CCCCNCc1c(C)cc(C)cn1	2263
+c1(N2CCOCC2C)nc(Cl)nc(CO)c1	2264
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+c12cc3c(cc1nc(cc2)CO)CC4(c5cccnc5NC4=O)C3	2266
+c1ccccc1-c2cc3c(C(C(=O)N3)=Cc4[nH]c(c(C(=O)NCCCN(CC)CC)c4C)C)cc2	2267
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+CC(C)(C)OC(=O)N(CC(=O)OC(C)(C)C)c1nc(ccc1)C=NO	2269
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+CC(C)(C)OC(N(c1cccc(n1)C=O)CC(OC(C)(C)C)=O)=O	2271
+c1cc(ccc1)C(c2ccccc2)C(=O)Nc3cnc(nc3O)C=O	2272
+O=Cc1csc(-c2c(cc(C)cc2)[N+]([O-])=O)n1	2273
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+CC(C)(C)c1cc(n(-c2ccc(cc2)CC(OCC)=O)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	2276
+c1([nH]c2c(cccc2)n1)-c3n[nH]c4c3cc(I)cc4	2277
+C1CC1NC(c2cnn3ccc(nc23)N4C(c5cc(cc(OCCOC)c5)F)CCC4)=O	2278
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(C(NCC(CO)O)=O)cnn14	2278
+C1COCCN1c2c3c4ccncc4[nH]c3ncn2	2279
+c1ccccc1Nc2c3ccc(Cl)nc3ncn2	2280
+FC(F)(F)c1c(sc(CNC(=O)OC(C)(C)C)n1)C#N	2281
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+C1CC(CCN1c2nc(Cl)c(CO)nc2Cl)=NOC3CCN(CC3)C(=O)OC(C)C	2283
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+CN(C)C(Cc1cc(cnc1)-c2cnc3N(C(=O)N)CCCc3c2)=O	2289
+C1CC(CCC1=O)n2ncc(c2)-c3cnc4[nH]cc(C(C)c5c(Cl)ccc(F)c5Cl)c4c3	2290
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+C1CN(CCN1C)c2ncc(cc2)C(=O)NCc3ccccc3	2294
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+c1cc2ccc(nc2c(c1F)CC#N)OC	2297
+O(C)c1c(CCl)cnc(C)c1Cl	2298
+C(O)c1ccc(Br)c2oc(nc12)C	2299
+C(c1c2nc(oc2c(cc1)Br)C)=NO	2300
+O=Cc1c2nc(oc2c(cc1)Br)C	2301
+O=Cc1c2nc(oc2c(cc1)Br)C	2302
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CNc3cncc(c3)C)=O	2303
+O=S(=O)(Nc1c2c(cc(c1)N3CCOCC3)n(c(C)n2)Cc4c5c(ccc4)cccc5)C	2304
+O=S(=O)(Nc1cn(c(C#N)c1)C)C	2304
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+CC1(C)CC(CC(C)(C)N1C)Oc2ccc(C(Nc3ccc(cc3)NC(Nc4n(nc(c4)C(C)(C)C)C)=O)=O)nc2	2313
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+c1cc(ccc1-c2c(c3cc(Br)c(cc3o2)NS(=O)(=O)C)C(OCC)=O)F	2316
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+C(Nc1c2c(Br)csc2ccn1)c3ncccc3	2320
+O1CCOC12Cc3sc4ncnc(Nc5cc(c(F)cc5)Cl)c4c3CC2	2321
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/composite_records.jsonl b/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/composite_records.jsonl
new file mode 100644
index 0000000000000000000000000000000000000000..597d346efb8d51fe2a2712e460c1a7ae504f4457
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/composite_records.jsonl
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:655e5f6da04b55795c554428c4ff986f372b189588e39ce371cffa53f1c899d5
+size 85089456
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/preparation.json b/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/preparation.json
new file mode 100644
index 0000000000000000000000000000000000000000..247e3940b4cc2e52263e391deef05b90ff511563
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/preparation.json
@@ -0,0 +1,163 @@
+{
+  "inputs": [
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/data/clean/n1_routes.json",
+      "sha256": "c1e396cd71228e3ab113412428571d223ef943835c3793f91b994b3341359439"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/data/clean/n5_routes.json",
+      "sha256": "5a27be2e0199f2bacd66556122f50906a24e27946bb30b1d9472d55d725e71af"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/catalog.sqlite",
+      "sha256": "4a82ce8257c310984a9d5a48a83a6c4b8849fa6dd50fc63a69c1161be0c7cb28"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/manifest.json",
+      "sha256": "0c0a7d689d8716cd1c6d7b3ab2c9935562186e5a0ccca965fc4fe1abfca1589f"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/provenance/occurrences.jsonl",
+      "sha256": "23e97342fac4515f32774f36057adc0c0478ad48be2ce55c9e19949cb7da286b"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/reports/retro_bleu_bigrams.tsv",
+      "sha256": "d978999fabee82a5c7211a9458cac93aa0e4d554cf0d4d5fb3c887fd4fc890e2"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/reports/rrseq_cons.tsv",
+      "sha256": "cc02533250ec230f28a17ff9e7cedb6479ccc26251d83b91533afbf7c153ca34"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/reports/rrseq_gap.tsv",
+      "sha256": "d3372dcb36bc5f21cac6e9d1a185d190c88fa1667c4c3c23200bb44186431570"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/reports/rrsubtree_cons.tsv",
+      "sha256": "f583deb0df745b737ea75efc268faf697d2d7905ac41c8924974d7f880fc845b"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/reports/rrsubtree_gap.tsv",
+      "sha256": "e3b596ff2b6a16660f03aa8a414bf7ec56d075faead6e6651b4ef2f9d9f5de8d"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/retro_bleu_bigrams/entries.jsonl",
+      "sha256": "3839672974a3a1721bb01daf54092519e85fb537978cee9d57961085c8d13f5c"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/retro_bleu_bigrams/occurrences.jsonl",
+      "sha256": "971a0012ab2eb4f84ba451f02871593ee76d9ca4bf18b16c0095f5e5b880f2d1"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/rrseq/entries.jsonl",
+      "sha256": "ad99c2da0765701cfa50dc27e227a2116a748f3c8ffb82c442386cf13f54a88f"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/rrsubtree/entries.jsonl",
+      "sha256": "d32965ca4c536263250bc33ce824cc707ff102446c33663315b3611f04281411"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/catalog.sqlite",
+      "sha256": "c90b51889271499a3b0e2ec4e24d5ff34e9368492c20e8518e99e01944094f03"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/manifest.json",
+      "sha256": "748833665b9d46f6f8474b749c3f54b4bed0469c7e9f16a638947ba4ea5f8ecf"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/provenance/occurrences.jsonl",
+      "sha256": "251a2ef8fcba19fa52201b3f3a071d080db54c63fcc042a12a969a2a41afa4ff"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/reports/retro_bleu_bigrams.tsv",
+      "sha256": "eaa0781c207931597a1e11450ef08c172e06dafdf8c1ab1b0d622cbc4c16e234"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/reports/rrseq_cons.tsv",
+      "sha256": "8e429e21d1a8f3700977b1413eb7d22b4f25ae641d7fa875b8628d58c3027cec"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/reports/rrseq_gap.tsv",
+      "sha256": "ec6b4f4c259f91104643c08f94be5d0d056a7f413f93e08424e077e683779587"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/reports/rrsubtree_cons.tsv",
+      "sha256": "2eaa2a2ee5f1d3a42a143a36dbec61a8c8da68ef0c212b2b2be87a0132a350e6"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/reports/rrsubtree_gap.tsv",
+      "sha256": "52392f7f23d812cf081377517dbfbc4a8cd00b7a5a902834419169dd42755691"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/retro_bleu_bigrams/entries.jsonl",
+      "sha256": "bb2c4161655f9bd98a856a453aa1e8349c8da9efa70ad031bf02eef5483e798d"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/retro_bleu_bigrams/occurrences.jsonl",
+      "sha256": "92c36fa731d7cfd4658fab897d6b3776d5df93826d2988d9668dcce90f81ac81"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/rrseq/entries.jsonl",
+      "sha256": "6b5fa08b1fa1335edf0de2616879d7a0308b321430bb3e45c5924fb84156240f"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/rrsubtree/entries.jsonl",
+      "sha256": "3106b3aa9ac26a398e73ecd2eef5d5295d10e434a575b740bb17283d9324bea5"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/catalog.sqlite",
+      "sha256": "b7f251b5e5265fcd382876696382f2d651fcb28cb19dd6d050fde7aba0e0b55b"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/composites/entries.jsonl",
+      "sha256": "aad0798ff7f5da3b390b100202a047388d7b2fc1f263a77224d11e179c48bbb9"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/manifest.json",
+      "sha256": "d96aa7aee6fa2b46b5f1296539c3dbccb6b810d7f0e69d59c33a549a8f621fb2"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/provenance/decomposition_links.jsonl",
+      "sha256": "2d3834d0f82c783a77e35a67ff60cd24be1b734c397657527fa3e855e1d0f385"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/provenance/reindex.json",
+      "sha256": "4dc40e755d35efc70caf24867d855be10a76182651873f71cba563eabfab41ba"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/reports/errors.jsonl",
+      "sha256": "ab70c7a82b2175b40bf8feeca57b1a4548a11fbe637395923c2a54e43f5ae4ba"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/reports/rrseq_cons.tsv",
+      "sha256": "d3c79671819e86d69cadb91b6cc7ea07ebc75fd07945568eba7b25d1a2ef4d8a"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/reports/rrsubtree_cons.tsv",
+      "sha256": "ce5f7f794a86318895c4e636a5849686d33d21dac8bb4c79cc1becf75c5dd2fa"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/summary.json",
+      "sha256": "e1e668ca89d374ac73c5ccdef2246b89fda352ef77ae197954f62f70a355a402"
+    }
+  ],
+  "kind": "linear-composites",
+  "occurrence_count": 2996,
+  "outputs": {
+    "composite.manifest.json": "aeb2d3f5c801bbbbe34ad4ca39592e03f0b2362da279d993f194dc792f71544e",
+    "composite.tsv": "ad1f67943fcf550b8b5f1353d605ef541da9e01585aabaa7821642d3eeb59558",
+    "composite_policy_data.tsv": "86e9d768f0a980395de0557f69757660d6c4128186f75aaa155b8ca4d3da6fc4",
+    "composite_records.jsonl": "655e5f6da04b55795c554428c4ff986f372b189588e39ce371cffa53f1c899d5"
+  },
+  "policy_rows": 2988,
+  "rule_count": 2322,
+  "schema": "retrocomposite-preparation/1",
+  "software": {
+    "SynPlanner": "1.8.0",
+    "chython-synplan": "1.108",
+    "retrocomposite": "0.1.0",
+    "route-inspector": "3.0.0.dev0"
+  },
+  "stereo": "ignored",
+  "training_dataset": "n1"
+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/support.json b/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/support.json
new file mode 100644
index 0000000000000000000000000000000000000000..1f87363a55d96de1889617cc6636f89a54a84c15
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/patent_disjoint/support.json
@@ -0,0 +1,35139 @@
+{
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diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/preparation.json b/releases/n1-n5-composites-inchi-v1/payload/cohorts/preparation.json
new file mode 100644
index 0000000000000000000000000000000000000000..083997d4d2aff4e3de7ae7ed5d7945cdb3965d1c
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/preparation.json
@@ -0,0 +1,181 @@
+{
+  "implementation": {
+    "identity.py": "373e417ec6647a82879f9377845a5fd555cfba89eeaa89fbab1dc096139f5b2a",
+    "preparation.py": "8869efc339f5a0e40ff718abccc79f3a6ab50c2c94e43a14353be55ecd02beb6",
+    "segments.py": "d2c93d73190a062c1efec1de632a940bfcbebaf91b9c45411a947c24727360ad",
+    "selection.py": "608017f8a6aede5aa1f9a43ae4ed6026a9542ba363aee1b6c1265618894ac0d4"
+  },
+  "inputs": [
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/data/clean/n1_routes.json",
+      "sha256": "c1e396cd71228e3ab113412428571d223ef943835c3793f91b994b3341359439"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/data/clean/n5_routes.json",
+      "sha256": "5a27be2e0199f2bacd66556122f50906a24e27946bb30b1d9472d55d725e71af"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/catalog.sqlite",
+      "sha256": "4a82ce8257c310984a9d5a48a83a6c4b8849fa6dd50fc63a69c1161be0c7cb28"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/manifest.json",
+      "sha256": "0c0a7d689d8716cd1c6d7b3ab2c9935562186e5a0ccca965fc4fe1abfca1589f"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/provenance/occurrences.jsonl",
+      "sha256": "23e97342fac4515f32774f36057adc0c0478ad48be2ce55c9e19949cb7da286b"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/reports/retro_bleu_bigrams.tsv",
+      "sha256": "d978999fabee82a5c7211a9458cac93aa0e4d554cf0d4d5fb3c887fd4fc890e2"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/reports/rrseq_cons.tsv",
+      "sha256": "cc02533250ec230f28a17ff9e7cedb6479ccc26251d83b91533afbf7c153ca34"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/reports/rrseq_gap.tsv",
+      "sha256": "d3372dcb36bc5f21cac6e9d1a185d190c88fa1667c4c3c23200bb44186431570"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/reports/rrsubtree_cons.tsv",
+      "sha256": "f583deb0df745b737ea75efc268faf697d2d7905ac41c8924974d7f880fc845b"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/reports/rrsubtree_gap.tsv",
+      "sha256": "e3b596ff2b6a16660f03aa8a414bf7ec56d075faead6e6651b4ef2f9d9f5de8d"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/retro_bleu_bigrams/entries.jsonl",
+      "sha256": "3839672974a3a1721bb01daf54092519e85fb537978cee9d57961085c8d13f5c"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/retro_bleu_bigrams/occurrences.jsonl",
+      "sha256": "971a0012ab2eb4f84ba451f02871593ee76d9ca4bf18b16c0095f5e5b880f2d1"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/rrseq/entries.jsonl",
+      "sha256": "ad99c2da0765701cfa50dc27e227a2116a748f3c8ffb82c442386cf13f54a88f"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/rrsubtree/entries.jsonl",
+      "sha256": "d32965ca4c536263250bc33ce824cc707ff102446c33663315b3611f04281411"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/catalog.sqlite",
+      "sha256": "c90b51889271499a3b0e2ec4e24d5ff34e9368492c20e8518e99e01944094f03"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/manifest.json",
+      "sha256": "748833665b9d46f6f8474b749c3f54b4bed0469c7e9f16a638947ba4ea5f8ecf"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/provenance/occurrences.jsonl",
+      "sha256": "251a2ef8fcba19fa52201b3f3a071d080db54c63fcc042a12a969a2a41afa4ff"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/reports/retro_bleu_bigrams.tsv",
+      "sha256": "eaa0781c207931597a1e11450ef08c172e06dafdf8c1ab1b0d622cbc4c16e234"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/reports/rrseq_cons.tsv",
+      "sha256": "8e429e21d1a8f3700977b1413eb7d22b4f25ae641d7fa875b8628d58c3027cec"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/reports/rrseq_gap.tsv",
+      "sha256": "ec6b4f4c259f91104643c08f94be5d0d056a7f413f93e08424e077e683779587"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/reports/rrsubtree_cons.tsv",
+      "sha256": "2eaa2a2ee5f1d3a42a143a36dbec61a8c8da68ef0c212b2b2be87a0132a350e6"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/reports/rrsubtree_gap.tsv",
+      "sha256": "52392f7f23d812cf081377517dbfbc4a8cd00b7a5a902834419169dd42755691"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/retro_bleu_bigrams/entries.jsonl",
+      "sha256": "bb2c4161655f9bd98a856a453aa1e8349c8da9efa70ad031bf02eef5483e798d"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/retro_bleu_bigrams/occurrences.jsonl",
+      "sha256": "92c36fa731d7cfd4658fab897d6b3776d5df93826d2988d9668dcce90f81ac81"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/rrseq/entries.jsonl",
+      "sha256": "6b5fa08b1fa1335edf0de2616879d7a0308b321430bb3e45c5924fb84156240f"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/rrsubtree/entries.jsonl",
+      "sha256": "3106b3aa9ac26a398e73ecd2eef5d5295d10e434a575b740bb17283d9324bea5"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/catalog.sqlite",
+      "sha256": "b7f251b5e5265fcd382876696382f2d651fcb28cb19dd6d050fde7aba0e0b55b"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/composites/entries.jsonl",
+      "sha256": "aad0798ff7f5da3b390b100202a047388d7b2fc1f263a77224d11e179c48bbb9"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/manifest.json",
+      "sha256": "d96aa7aee6fa2b46b5f1296539c3dbccb6b810d7f0e69d59c33a549a8f621fb2"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/provenance/decomposition_links.jsonl",
+      "sha256": "2d3834d0f82c783a77e35a67ff60cd24be1b734c397657527fa3e855e1d0f385"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/provenance/reindex.json",
+      "sha256": "4dc40e755d35efc70caf24867d855be10a76182651873f71cba563eabfab41ba"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/reports/errors.jsonl",
+      "sha256": "ab70c7a82b2175b40bf8feeca57b1a4548a11fbe637395923c2a54e43f5ae4ba"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/reports/rrseq_cons.tsv",
+      "sha256": "d3c79671819e86d69cadb91b6cc7ea07ebc75fd07945568eba7b25d1a2ef4d8a"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/reports/rrsubtree_cons.tsv",
+      "sha256": "ce5f7f794a86318895c4e636a5849686d33d21dac8bb4c79cc1becf75c5dd2fa"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/summary.json",
+      "sha256": "e1e668ca89d374ac73c5ccdef2246b89fda352ef77ae197954f62f70a355a402"
+    }
+  ],
+  "kind": "cohort-selection",
+  "outputs": {
+    "n5_molecule_index.jsonl": "d6e8a7ecfb7a15f97fcb74dbccfd469c9e71adb803b43d7b0a9b3dce9fe0bc2f",
+    "n5_segment_index.jsonl": "cfe96d0f858469b44836e6f5844af9785238c7f80e3d80ada4c8981186fe48ec",
+    "occurrence_audit.jsonl": "80199cee08de8849fcb834d0e2ffd3d774c71169646aed81bc5fe9f96e0b7163",
+    "patent_disjoint/composite.manifest.json": "aeb2d3f5c801bbbbe34ad4ca39592e03f0b2362da279d993f194dc792f71544e",
+    "patent_disjoint/composite.tsv": "ad1f67943fcf550b8b5f1353d605ef541da9e01585aabaa7821642d3eeb59558",
+    "patent_disjoint/composite_policy_data.tsv": "86e9d768f0a980395de0557f69757660d6c4128186f75aaa155b8ca4d3da6fc4",
+    "patent_disjoint/composite_records.jsonl": "655e5f6da04b55795c554428c4ff986f372b189588e39ce371cffa53f1c899d5",
+    "patent_disjoint/preparation.json": "6589ffa262406a294ba750709c32f980fadb9f816d17bb09902ec4e792d1c410",
+    "patent_disjoint/support.json": "18420aa8c23122fc5ea7be3fe2c0dac851509780f6275fb6e98fc737971aaa96",
+    "primary/composite.manifest.json": "9d5316b542c8b0ddf05b8ef2a6c2c981e4066c8ba4eaa8f448baef9686cc21a7",
+    "primary/composite.tsv": "af1b14fbeca412af9a72d5259150b04adb214729b9aeeaadd2cb8a9903fe5c5c",
+    "primary/composite_policy_data.tsv": "fc8f97c59009672ea6d6c3eb90c7928f6c0306ecbcca1cec5a5eda9115bfc1d7",
+    "primary/composite_records.jsonl": "b8ae66286106db9695e20a0cfd80e65e3d661ab8eddc2e37102bce5f5fbb0aa4",
+    "primary/preparation.json": "776b6d10757d2bc56bda53b41cb4a60fb0a15e5ead2ac37450922ac6593ab22c",
+    "primary/support.json": "1ec9af703f97b8fad2505b066b1ce3337e9e1a05df2995c6cefd8060f9757194",
+    "reference_errors.jsonl": "e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855",
+    "route_audit.jsonl": "878d52c40ee96a187e1b7e3dce019d37fbd2aee2e3d03f03071c317c50a5de79",
+    "selection.json": "2be6585d93dae520d4b3d2c99f845babae60406afc1d5df9e93797f992eb3727",
+    "shared_tactics.json": "4149f05c438981b8d62e2f7b17051271ef4faf7d9faef348f5b4355d5aa46fb7"
+  },
+  "policy": "retrocomposite-cohort-selection/3",
+  "schema": "retrocomposite-preparation/1",
+  "software": {
+    "SynPlanner": "1.8.0",
+    "chython-synplan": "1.108",
+    "retrocomposite": "0.1.0",
+    "route-inspector": "3.0.0.dev0"
+  },
+  "stereo": "ignored"
+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/composite.manifest.json b/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/composite.manifest.json
new file mode 100644
index 0000000000000000000000000000000000000000..a360d9b5cb12b388145100b623e0e70e4c11ad08
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/composite.manifest.json
@@ -0,0 +1,10 @@
+{
+  "input_sha256": "b8ae66286106db9695e20a0cfd80e65e3d661ab8eddc2e37102bce5f5fbb0aa4",
+  "policy_compatibility": "requires this exact ordered vocabulary",
+  "preserve_stereo": false,
+  "reaction_indices_semantics": "zero-based unique product/rule training-pair indices",
+  "rule_count": 3185,
+  "rules_sha256": "af1b14fbeca412af9a72d5259150b04adb214729b9aeeaadd2cb8a9903fe5c5c",
+  "schema": "synplan-rules/2",
+  "stereo_schema": 1
+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/composite.tsv b/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/composite.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..a3f87e3ef9eb358b2d39b677c507bd3153b1f7a2
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/composite.tsv
@@ -0,0 +1,3186 @@
+rule_smarts	popularity	reaction_indices
+[B:1](-[O:2])(-[c:3](:[c:4]):[c:5])-[O:6]>>[c:3](:[c:4])(:[c:5])-[O:11].[B:1](-[O:2])(-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:12])-[C:13](-[C:14])(-[C:15])-[O:16]-1	1	0
+[Br:1]-[C:2]-[C:3]>>[Br:1]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:2](-[C:3])-[O:8]-[C:9]-1-[C:10]-[C:11]-[C:12]-[C:13]-[O:14]-1	1	1
+[Br:1]-[C:2]-[c:3]>>[Br:1]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:2](-[c:3])=[O:8]	1	2
+[C:1]#[C:2]-[C:3]-[C:4](-[C:5])(-[C:6])-[O:7]-[Si:8](-[C:9])(-[C:10])-[C:11]>>[Si:8](-[C:9])(-[C:10])(-[C:11])-[Cl:13].[C:4](-[C:5])(-[C:6])=[O:7].[C:1]#[C:2]-[C:3]-[Br:12]	1	3
+[C:1]#[C:2]-[C:3]-[O:4]-[c:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:[n:10]:1>>[C:1]#[C:2]-[C:3]-[O:4].[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[n:10]:1)-[O:11]	1	4
+[C:1]#[C:2]-[C:3]>>[C:2](-[C:3])(=[O:4])-[O:16]-[C:17].[C:1]-[C:5](=[O:6])-[C:7](-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:13])=[N+:14]=[N-:15]	1	5
+[C:1]#[C:2]-[C:3]>>[C:2](-[C:3])-[O:15].[C:1](-[P:4](-[O:5]-[C:6])(=[O:7])-[O:8]-[C:9])(=[N+:10]=[N-:11])-[C:12](-[C:13])=[O:14]	1	6
+[C:1]#[C:2]-[C:3]>>[C:2](-[C:3])-[O:4].[C:1]-[C:5](=[O:6])-[C:7](-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:13])=[N+:14]=[N-:15]	1	7
+[C:1]#[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]#[C:2]-[Si:6](-[C:7])(-[C:8])-[C:9].[c:3](:[c:4])(:[c:5])-[I:10]	5	8,9,10,11,12
+[C:1]#[C:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4]):[c:6]:[n:5].[C:1]#[C:2]	1	13
+[C:1]#[C:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[C:1]#[C:2]-[Si:8](-[C:9])(-[C:10])-[C:11].[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Br:12]	1	14
+[C:1]#[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:12].[C:1]#[C:2]-[Si:8](-[C:9])(-[C:10])-[C:11]	1	15
+[C:1](#[C:2]-[c:3](:[c:4]):[c:5])-[Si:7](-[C:6])(-[C:8])-[C:9]>>[C:1](#[C:2])-[Si:7](-[C:6])(-[C:8])-[C:9].[c:3](:[c:4]):[c:5]	1	16
+[C:1](#[C:2]-[c:3](:[c:4]):[c:6]:[n:5])-[Si:8](-[C:7])(-[C:9])-[C:10]>>[C:1](#[C:2])-[Si:8](-[C:7])(-[C:9])-[C:10].[c:3](:[c:4]):[c:6]:[n:5]	1	17
+[C:1](#[C:2]-[c:3](:[c:4]:[n:5]):[c:6])-[Si:8](-[C:7])(-[C:9])-[C:10]>>[C:1](#[C:2])-[Si:8](-[C:7])(-[C:9])-[C:10].[c:3](:[c:4]:[n:5]):[c:6]	1	18
+[C:1](-[C:2](-[F:3])=[C:4]-[C:5])=[O:6]>>[C:1](-[C:2](-[F:3])=[C:4]-[C:5])(=[O:6])-[O:7]-[C:8]-[C:9]	1	19
+[C:1](-[C:2](-[N:3]-[C:4])=[O:8])-[C:5](-[C:6])=[O:7]>>[C:1](-[C:2](=[O:8])-[O:9]-[C:10])-[C:5](-[C:6])=[O:7].[N:3]-[C:4]	1	20
+[C:1](-[C:2](=[O:3])-[N:4]-[C:5])-[C:6](=[O:7])-[N:8]>>[C:1](-[C:2](=[O:3])-[O:9]-[C:10]-[C:11])-[C:6](=[O:7])-[N:8].[N:4]-[C:5]	1	21
+[C:1](-[C:2](=[O:3])-[O:13])-[c:5]:1:[c:4](:[n:12]:[c:8](:[n:7]:[n:6]:1)-[c:9](:[n:10]):[c:11])-[O:14]>>[C:1](-[C:2](=[O:3])-[O:13])-[C:5](-[C:4](=[O:14])-[O:15]-[C:16])=[O:17].[N:6]-[N:18].[N:7]-[C:8](-[c:9](:[n:10]):[c:11])=[N:12]	1	22
+[C:1](-[C:2](=[O:3])-[O:4])(-[C:5](=[O:6])-[c:7])-[C:9](-[O:8])=[O:10]>>[C:1](-[C:2](=[O:3])-[O:4])-[C:9](-[O:8])=[O:10].[C:5](=[O:6])(-[c:7])-[O:11]	1	23
+[C:1](-[C:2])(-[C:3])-[O:8]-[S:5](-[C:4])(=[O:6])=[O:7]>>[C:1](-[C:2])(-[C:3])=[O:8].[C:4]-[S:5](=[O:6])(=[O:7])-[Cl:9]	1	24
+[C:1](-[C:2])(-[N:3]-[c:4])=[O:5]>>[C:1](-[C:2])(=[O:5])-[O:6]-[C:7].[N:3]-[c:4]	1	25
+[C:1](-[C:2])(-[c:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[C:1](-[C:2])(-[c:3])=[O:8]	2	26,27
+[C:1](-[C:2])-[Br:3]>>[Br:3]-[C:4](-[Br:13])(-[Br:14])-[Br:15].[C:1](-[C:2])-[O:5]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	28
+[C:1](-[C:2])-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1](-[C:2])(=[O:8])-[O:9]-[C:10]-[C:11]	2	29,30
+[C:1](-[C:2])-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1](-[C:2])-[O:8]-[C:9](-[C:10])=[O:11]	1	31
+[C:1](-[C:2])-[Cl:3]>>[C:1](-[C:2])-[O:7]-[C:8].[Cl:3]-[S:4](=[O:5])-[Cl:6]	1	32
+[C:1](-[C:2])-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1](-[C:2])(-[O:7]-[C:8])=[O:9]	1	33
+[C:1](-[C:2])-[O:3]-[C:4]>>[C:1](-[C:2])(-[O:3])=[O:5].[C:4]-[I:6]	1	34
+[C:1](-[C:2])-[O:3]>>[C:1](-[C:2])(-[O:3])=[O:4]	1	35
+[C:1](-[C:2])-[O:3]>>[C:1](-[C:2])(-[O:3]-[C:4])=[O:5]	4	36,37,38,39
+[C:1](-[C:2])-[O:3]>>[C:1](-[C:2])(-[O:3]-[C:5])=[O:4]	4	40,41,42,43
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+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:10].[C:1](-[C:2])(=[O:7])-[O:8]-[C:9]	1	50
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8].[C:1](-[C:2])(=[O:7])-[O:9]	1	51
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8].[C:1](-[C:2])=[O:7]	1	52
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9].[C:1](-[C:2])(-[O:7])=[O:8]	1	53
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9].[C:1](-[C:2])(=[O:7])-[O:8]	1	54
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+[C:1](-[C:2]-[C:3]-[c:4](:[c:5]):[c:6])(=[O:7])-[O:8]>>[C:1](-[C:2]=[C:3])(=[O:7])-[O:8].[c:4](:[c:5])(:[c:6])-[Br:9]	2	66,67
+[C:1](-[C:2]-[C:3]-[c:4])-[O:5]>>[C:1](-[C:2]=[C:3]-[c:4])(=[O:5])-[O:8]-[C:7]-[C:6]	1	68
+[C:1](-[C:2]-[C:4](-[N:3])=[O:5])-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9]>>[C:6]-[S:7](=[O:8])(=[O:9])-[Cl:14].[C:1](-[C:2]-[C:4](-[N:3])=[O:5])(=[O:10])-[O:11]-[C:12]-[C:13]	1	69
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+[C:1](-[C:2]-[c:3])-[O:14]>>[C:2](-[c:3])=[O:4].[O:14]-[O:25].[C:1]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	1	77
+[C:1](-[C:2]=[C:11])-[C:9](-[N:8]-[c:4]:1:[c:3]:[n:7]:[n:6]:[c:5]:1)=[O:10]>>[c:3]:1:[c:4](:[c:5]:[n:6]:[n:7]:1)-[N+:8](=[O:13])-[O-:14].[C:1](-[C:2]=[C:11])-[C:9](=[O:10])-[O:12]	1	78
+[C:1](-[C:2]=[C:3]-[c:4])-[O:5]>>[C:3](-[c:4])=[O:9].[C:1](-[C:2]=[P:10](-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)(-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2)-[c:23]:3:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:3)(=[O:5])-[O:8]-[C:7]-[C:6]	1	79
+[C:1](-[C:2]=[O:3])-[N:4](-[C:5])-[C:6](=[O:7])-[N:8]-[c:9](:[n:10]):[s:11]>>[N:8]-[c:9](:[n:10]):[s:11].[C:1](-[C:2]=[O:3])-[N:4]-[C:5].[C:6](=[O:7])(-[Cl:12])-[Cl:13]	1	80
+[C:1](-[C:6]-[C:4](-[N:3]-[c:2])=[O:5])=[O:7]>>[C:1](-[C:6]-[C:4](=[O:5])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:7].[c:2]-[N+:3](=[O:13])-[O-:14]	1	81
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+[C:1](-[N:2](-[C:3])-[C:4])#[N:6]>>[N:2](-[C:3])(-[C:4])-[C:5](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:1](#[N:6])-[Br:7]	1	85
+[C:1](-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[C:7]-1=[O:8])-[C:9](=[O:10])-[N:11]>>[C:1](-[N:2])-[C:9](=[O:10])-[N:11].[C:3](-[O:4]-[C:14])(-[c:5]:[c:6]-[C:7](=[O:8])-[O:13])=[O:12]	1	86
+[C:1](-[N:2]-[C:3](-[C:4])=[O:5])-[C:6](=[O:7])-[N:8]>>[C:1](-[N:2]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15])-[C:6](=[O:7])-[N:8].[C:3](-[C:4])(=[O:5])-[Cl:16]	1	87
+[C:1](-[N:2]-[C:3](=[O:4])-[C:5])-[C:6](=[O:7])-[O:8]>>[C:1](-[N:2])-[C:6](=[O:7])-[O:8].[C:3](=[O:4])(-[C:5])-[O:9]-[C:10]	1	88
+[C:1](-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[c:9]:[n:8])-[C:10](=[O:11])-[N:12]>>[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[c:9]:[n:8].[C:1](-[N:2])-[C:10](=[O:11])-[N:12]	1	89
+[C:1](-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7])-[C:8](=[O:9])-[N:10]>>[C:1](-[N:2])-[C:8](=[O:9])-[N:10].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:11]-[C:12]	1	90
+[C:1](-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7])-[C:8](=[O:9])-[N:10]>>[C:1](-[N:2]-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17])-[C:8](=[O:9])-[N:10].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:18]	1	91
+[C:1](-[N:2]-[C:3](=[O:4])-[c:5])-[C:6](=[O:7])-[N:8]>>[C:3](=[O:4])(-[c:5])-[O:16].[C:1](-[N:2]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15])-[C:6](=[O:7])-[N:8]	1	92
+[C:1](-[N:2]-[C:3](=[O:4])-[c:5])-[C:6](=[O:7])-[O:8]>>[C:1](-[N:2])-[C:6](=[O:7])-[O:8].[C:3](=[O:4])(-[c:5])-[O:9]-[C:10]	1	93
+[C:1](-[N:2]-[C:3])(-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:9]>>[C:1](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])(=[O:9])-[O:10]-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[N:2](-[C:3])=[N+:18]=[N-:19]	1	94
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+[C:1](-[O:2])-[C:3]-[N:4](-[C:5])-[C:6](-[C:7])-[C:8]>>[C:6](-[C:7])(-[C:8])=[O:9].[N:4]-[C:5].[C:1]-1-[O:2]-[C:3]-1	1	96
+[C:1](-[O:2])-[C:3]-[N:4](-[C:5])-[C:6]>>[C:1]-1-[O:2]-[C:3]-1.[N:4](-[C:5])(-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	97
+[C:1](-[O:2])-[C:3]-[N:4]-[C:5](-[C:6])(-[C:7])-[C:8]>>[N-:4]=[N+:9]=[N-:10].[C:1]-1-[O:2]-[C:3]-1.[C:5](-[C:6])(-[C:7])(-[C:8])-[C:11](=[O:12])-[O:13]	1	98
+[C:1](-[O:2])-[c:3](:[n:4]):[c:5]>>[O:2]-[O:6]-[C:7](=[O:8])-[c:9]:1:[c:10]:[c:11](:[c:12]:[c:13]:[c:14]:1)-[Cl:15].[C:1]-[c:3](:[n:4]):[c:5]	1	99
+[C:1](-[c:2](:[c:3]):[c:4])(-[C:5])-[O:6]>>[C:1](-[C:5])(=[O:6])-[N:7](-[O:8]-[C:9])-[C:10].[c:2](:[c:3])(:[c:4])-[Br:11]	1	100
+[C:1](-[c:2](:[c:3]):[c:4])(-[C:5])-[O:6]>>[C:1](-[C:5])(=[O:6])-[O:8]-[C:9]-[C:10].[c:2](:[c:3])(:[c:4])-[Br:7]	1	101
+[C:1](-[c:2](:[c:3]):[c:4])(-[C:5])=[O:6]>>[C:1](-[C:5])(=[O:6])-[O:8]-[C:9]-[C:10].[c:2](:[c:3])(:[c:4])-[Br:7]	1	102
+[C:1](-[c:2](:[c:3]):[c:4])(-[C:5])=[O:6]>>[C:1](-[C:5])(=[O:6])-[O:9].[c:2](:[c:3])(:[c:4])-[Mg:7]-[Br:8]	1	103
+[C:1](-[c:2](:[c:3]):[c:4])(-[c:5])=[O:6]>>[C:1](-[c:5])(=[O:6])-[O:9].[c:2](:[c:3])(:[c:4])-[Mg:7]-[Br:8]	1	104
+[C:1](-[c:2](:[c:3]):[c:4])-[O:5]>>[C:1](=[O:5])-[N:6](-[C:7])-[C:8].[c:2](:[c:3])(:[c:4])-[Br:9]	1	105
+[C:1](-[c:2](:[c:3]):[n:4])=[O:5]>>[C:1](-[c:2](:[c:3]):[n:4])(=[O:5])-[O:6]-[C:7]-[C:8]	2	106,107
+[C:1](-[c:2](:[c:3]:[n:4]):[n:5])=[O:6]>>[C:1](-[c:2](:[c:3]:[n:4]):[n:5])(=[O:6])-[O:7]-[C:8]-[C:9]	1	108
+[C:1](-[c:2](:[c:3]:[s:4]):[n:5])=[O:6]>>[C:1](-[c:2](:[c:3]:[s:4]):[n:5])(=[O:6])-[O:7]-[C:8]-[C:9]	1	109
+[C:1](-[c:2](:[n:3]):[c:4])=[O:5]>>[C:1](-[c:2](:[n:3]):[c:4])(-[O:5]-[C:6])=[O:7]	1	110
+[C:1](-[c:2])(-[N:3]-[c:4])=[O:5]>>[C:1](-[c:2])(=[O:5])-[O:6]-[C:7]-[C:8].[N:3]-[c:4]	1	111
+[C:1](-[c:2])(-[c:3](:[c:4]):[c:5])=[O:6]>>[C:1](-[c:2])=[O:6].[c:3](:[c:4])(:[c:5])-[Br:7]	1	112
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[Br:4].[C:1](-[c:2])=[O:5]	2	113,114
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[C:1](-[c:2])(-[O:7])=[O:8]	2	115,116
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[C:1](-[c:2])=[O:7]	2	117,118
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[P:4](-[Br:7])-[Br:8].[C:1](-[c:2])(-[O:5])=[O:6]	1	119
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[P:4](-[Br:7])-[Br:8].[C:1](-[c:2])(=[O:5])-[O:6]	1	120
+[C:1](-[c:2])-[Br:3]>>[Br:3].[C:1](-[c:2])(-[O:4])=[O:5]	1	121
+[C:1](-[c:2])-[Br:3]>>[Br:3].[C:1](-[c:2])(=[O:4])-[O:5]-[C:6]-[C:7]	1	122
+[C:1](-[c:2])-[Br:4]>>[Br:4]-[N:8]-1-[C:6](-[C:5]-[C:11]-[C:9]-1=[O:10])=[O:7].[C:1](-[c:2])=[O:3]	1	123
+[C:1](-[c:2])-[Cl:3]>>[C:1](-[c:2])(=[O:6])-[O:7]-[C:8].[Cl:3]-[C:4]-[Cl:5]	1	124
+[C:1](-[c:2])-[Cl:3]>>[C:1](-[c:2])(=[O:8])-[O:9]-[C:10]-[C:11].[Cl:3]-[S:5](=[O:4])(-[C:6])=[O:7]	1	125
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[C:4]-[Cl:5].[C:1](-[c:2])=[O:6]	1	126
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[S:4](-[Cl:7])=[O:8].[C:1](-[c:2])(-[O:5])=[O:6]	1	127
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[S:4](-[Cl:7])=[O:8].[C:1](-[c:2])(=[O:5])-[O:6]	1	128
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1](-[c:2])(-[O:7])=[O:8]	1	129
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1](-[c:2])=[O:7]	1	130
+[C:1](-[c:2])-[O:3]>>[C:1](-[c:2])(-[O:3]-[C:4])=[O:5]	2	131,132
+[C:1](-[c:2])-[O:3]>>[C:1](-[c:2])-[Br:7].[O:3]-[C:5](-[C:4])=[O:6]	1	133
+[C:1](-[c:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8].[C:1](-[c:2])=[O:7]	1	134
+[C:1](-[c:2])-[c:4](:[c:3]):[c:5]>>[C:1](-[c:2])(=[O:6])-[O:7].[c:3]:[c:4]:[c:5]	1	135
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(-[O:3])=[O:4]	2	136,137
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(-[O:3]-[C:4])=[O:5]	1	138
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(=[O:3])-[O:4]	1	139
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(=[O:3])-[O:4]-[C:5]	2	140,141
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(=[O:3])-[O:4]-[C:5]-[C:6]	1	142
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])-[Br:7].[O:3]-[C:5](-[C:4])=[O:6]	1	143
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])-[O:3]-[C:4]	1	144
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])-[O:3]-[C:4](-[C:5])=[O:6]	1	145
+[C:1](-[c:2])=[O:3]>>[O-:3]-[N+:4]-1(-[C:5])-[C:6]-[C:7]-[O:8]-[C:9]-[C:10]-1.[C:1]-[c:2]	1	146
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+[C:1](-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:2-[C:7](=[O:8])-[N:9]-[C:10](-[C:11])=[N:12]-[n:13]:1:2)-[C:14](-[C:15])-[O:16]>>[C:1](-[C:2](-[N:3]-[C:4](-[C:5])-[c:6]:1:[c:7](-[O:8]):[n:9]:[c:10](-[C:11]):[n:12]:[n:13]:1)=[O:17])-[C:14](-[C:15])=[O:16]	1	148
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+[C:1](=[O:2])(-[C:3]-1-[C:4]-[C:5](=[O:6])-[N:7](-[c:8])-[C:9]-1)-[O:11]-[C:10]>>[C:1](=[O:2])(-[C:3](-[C:4]-[C:5](-[O:6])=[O:13])=[C:9])-[O:12].[C:10]-[O:11].[N:7]-[c:8]	1	159
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+[C:1](=[O:2])(-[N:3]-[c:4]:[c:5]:[n:6])-[O:9]>>[N+:3](-[c:4]:[c:5]:[n:6])(=[O:7])-[O-:8].[C:1](=[O:2])(-[O:9])-[Cl:10]	1	163
+[C:1](=[O:2])(-[c:3](:[c:4]):[n:5])-[O:6]>>[C:1](-[O:2]-[C:7]-[C:8])(-[c:3](:[c:4]):[n:5])-[O:9]-[C:10]-[C:11].[O:6]-[O:12]-[S:13](=[O:14])-[O:15]	1	164
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+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[C:1](=[O:2])(-[c:3])-[O:8]-[C:9]-[C:10]	1	171
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+[C:1](=[O:2])(-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1)-[O:8]>>[C:1](=[O:2])(-[C:12](-[F:9])(-[F:10])-[F:11])-[O:13]-[C:14](-[C:15](-[F:16])(-[F:17])-[F:18])=[O:19].[O:8].[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1	1	173
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+[C:1](=[O:2])(-[c:3]:[c:5]:[n:4])-[N:7](-[O:6])-[C:8]>>[C:1](=[O:2])(-[c:3]:[c:5]:[n:4])-[O:9]-[C:10]-[C:11].[O:6]-[N:7]-[C:8]	1	175
+[C:1](=[O:2])-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[C:1](=[O:2])-[C:3](=[O:4])-[O:7]-[C:8]-[C:9]	1	176
+[C:1](=[O:2])-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1](=[O:2])-[C:3]	1	177
+[C:1](=[O:2])-[C:3]=[C:4]-[C:5](-[c:6](:[n:7]):[n:8])=[C:9]>>[C:4](=[O:10])-[O:30]-[C:31]-[C:32].[C:5](-[c:6](:[n:7]):[n:8])=[C:9].[C:1](=[O:2])-[C:3]=[P:11](-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)(-[c:18]:2:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:2)-[c:24]:3:[c:25]:[c:26]:[c:27]:[c:28]:[c:29]:3	1	178
+[C:1](=[O:2])-[O:3]-[C:4]-[C:5]-[C:6]=[C:7]>>[C:4](-[C:5]-[C:6]=[C:7])-[O:8].[C:1](=[O:2])-[O:3]	1	179
+[C:1](=[O:2])-[O:3]-[C:4]-[c:5]>>[C:1](=[O:2])-[O:3]-[C:6].[C:4](-[c:5])-[Br:7]	1	180
+[C:1](=[O:2])-[O:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[O:8].[C:1](=[O:2])-[O:3]-[C:7]	1	181
+[C:1](=[O:2])-[c:3]>>[C:1](=[O:2])(-[c:3])-[O:4]	1	182
+[C:1](=[O:2])=[N:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[C:8]):[s:9]:1>>[C:7](-[C:8])(=[O:12])-[O:13].[C:1](=[O:2])(-[Cl:10])-[Cl:11].[N:3]-[C:4](-[N:5]-[N:6])=[S:9]	1	183
+[C:1](=[S:2])=[N:3]-[c:4]>>[C:1](=[S:2])(-[Cl:5])-[Cl:6].[N+:3](-[c:4])(=[O:7])-[O-:8]	2	184,185
+[C:1]-1-[C:2](-[O:3]-1)(-[C:4])-[C:5]>>[C:2]-1(-[O:3]-[C:9]-[C:10]-[O:11]-1)(-[C:4])-[C:5].[C:1]-[S:6](-[C:7])=[O:8]	1	186
+[C:1]-1-[C:2]-[N:3](-[C:4])-[C:5](-[C:6]-[O:7]-1)=[O:8]>>[C:5](-[C:6]-[Cl:9])(=[O:8])-[Cl:10].[C:1](-[C:2]-[N:3]-[C:4])-[O:7]	1	187
+[C:1]-1-[C:2]-[N:3](-[c:4])-[C:5](=[O:6])-[O:7]-1>>[N:3]-[c:4].[C:1]-1-[C:2]-[O:7]-1.[C:5](=[O:6])(-[Cl:8])-[Cl:9]	1	188
+[C:1]-1-[C:2]-[O:3]-[C:4]-[C:5](-[N:6]-1)=[O:7]>>[C:4](-[C:5](=[O:7])-[Cl:9])-[Cl:8].[C:1](-[C:2]-[O:3])-[N:6]	1	189
+[C:1]-1-[N:2]-[C:3](=[O:4])-[C:5](-[c:6])=[C:7]-1-[O:8]>>[C:1](-[N:2])-[C:7](=[O:8])-[O:10]-[C:9].[C:3](=[O:4])(-[C:5]-[c:6])-[O:11]	1	190
+[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[O:9].[N:6](-[C:7])(-[C:8])-[C:10](=[O:11])-[O:12]-[C:13]-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1	1	191
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]#[C:3]-[Si:7](-[C:8])(-[C:9])-[C:10].[c:4](:[c:5])(:[c:6])-[I:11]	1	192
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]:[c:6]:[s:8]):[c:7]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5]:[c:6]:[s:8])(:[c:7])-[O:9]	1	193
+[C:1]-[C:2]#[N:3]>>[C:1]-[C:2](=[O:4])-[O:5]-[C:6]-[C:7].[N:3]	1	194
+[C:1]-[C:2]#[N:3]>>[C:1]-[C:2](=[O:4])-[O:5]-[C:6].[N:3]	1	195
+[C:1]-[C:2]#[N:3]>>[C:1]-[C:2](=[O:4])-[O:5].[N:3]	7	196,197,198,199,200,201,202
+[C:1]-[C:2]#[N:3]>>[N:3].[C:1]-[C:2](=[O:4])-[O:5]	3	203,204,205
+[C:1]-[C:2]#[N:3]>>[N:3].[C:1]-[C:2](=[O:4])-[O:5]-[C:6]	1	206
+[C:1]-[C:2]#[N:3]>>[N:3].[C:1]-[C:2](=[O:4])-[O:5]-[C:6]-[C:7]	1	207
+[C:1]-[C:2](-[C:3]#[N:4])-[C:5]>>[C:1]-[C:2](-[C:5])-[O:6].[C:3]#[N:4]	1	208
+[C:1]-[C:2](-[C:3]#[N:4])-[C:5]>>[C:1]-[C:2](-[C:5])=[O:17].[C-:3]#[N+:4]-[C:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13]	1	209
+[C:1]-[C:2](-[C:3]#[N:5])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:17].[C-:3]#[N+:5]-[C:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13]	1	210
+[C:1]-[C:2](-[C:3]#[N:5])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:17].[C-:3]#[N+:5]-[C:9]-[S:6](=[O:7])(=[O:8])-[c:16]:1:[c:10]:[c:11]:[c:13](-[C:12]):[c:14]:[c:15]:1	1	211
+[C:1]-[C:2](-[C:3])(-[C:4](=[O:5])-[c:6])-[N:7](-[C:8])-[C:9]>>[C:1]-[C:2](-[C:3])(-[C:4](-[c:6])=[O:11])-[Br:12].[N:7](-[C:8])-[C:9].[O:5]-[C:10]	1	212
+[C:1]-[C:2](-[C:3])(-[C:4](=[O:5])-[c:6])-[N:7](-[C:8])-[C:9]>>[N:7](-[C:8])-[C:9].[C:1]-[C:2](-[C:3])-[C:4](-[c:6])=[O:11].[O:5]-[C:10]	1	213
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N:8](-[C:9])(-[C:10])-[C:19]-[c:20]:1:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:1	4	214,215,216,217
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](=[O:13])-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18].[N:8](-[C:9])(-[C:10])-[C:19]-[c:20]:1:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:1	1	218
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[N:8](-[C:9])(-[C:10])-[C:19](-[O:20]-[C:21]-[C:22])=[O:23].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18]	1	219
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:11]-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:8](-[C:9])-[C:11](-[C:10])=[O:20]	1	220
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[C:11]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[C:9](-[C:10])=[O:20].[N:8]-[C:11]	1	221
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[C:11]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:8](-[C:9](-[C:10])=[O:20])-[C:11]	1	222
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[C:11]>>[N:8](-[C:9](-[C:10])=[O:20])-[C:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	223
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[c:11]>>[N:8](-[C:9](-[C:10])=[O:20])-[c:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](=[O:14])-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19]	1	224
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[c:10])-[C:11]>>[N:8](-[C:9](-[c:10])=[O:20])-[C:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	225
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[c:10])-[C:11]>>[N:8]-[C:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[C:9](-[c:10])(=[O:20])-[O:21]	1	226
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[c:9](:[c:10]):[c:11])-[C:12]>>[N:8]-[C:12].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[c:9](:[c:10])(:[c:11])-[F:21]	1	227
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N:8]#[C:9]-[C:10]	3	228,229,230
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-[C:10]>>[N:8]-[C:9](-[C:10])=[O:19].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18]	1	231
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+[C:1]-[C:2](-[N:3](-[C:4](=[O:5])-[c:6]:[c:7]:[n:8])-[C:9])-[C:10]>>[C:4](=[O:5])(-[c:6]:[c:7]:[n:8])-[O:12].[C:1]-[C:2](-[C:10])=[O:11].[N:3]-[C:9]	1	262
+[C:1]-[C:2](-[N:3](-[C:4])-[C:5])-[C:6]>>[C:1]-[C:2](-[C:6])=[O:7].[N:3](-[C:4])(-[C:5])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	2	263,264
+[C:1]-[C:2](-[N:3](-[C:4])-[C:5])-[C:6]>>[C:1]-[C:2]-1(-[C:6])-[O:7]-[C:8]-[C:9]-[O:10]-1.[N:3](-[C:4])-[C:5]	1	265
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+[C:1]-[C:2](-[N:3])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:6].[N:3]-[O:5]	1	284
+[C:1]-[C:2](-[N:3])-[C:4]>>[C:1]-[C:2]-1(-[C:4])-[O:5]-[C:6]-[C:7]-[O:8]-1.[N:3]	1	285
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+[C:1]-[C:2](-[N:3])-[c:4]>>[C:1]-[C:2](-[c:4])=[O:6].[N:3]-[O:5]	1	291
+[C:1]-[C:2](-[N:3])-[c:4]>>[N:3]-[O:5].[C:1]-[C:2](-[c:4])=[O:6]	2	292,293
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+[C:1]-[C:2](-[N:3])=[S:4]>>[C:1]-[C:2](=[O:26])-[O:27].[N:3].[S:4]=[P:6]-1(-[S:7]-[P:8](-[c:9]:2:[c:10]:[c:11]:[c:12](-[O:13]-[C:14]):[c:15]:[c:16]:2)(=[S:17])-[S:18]-1)-[c:19]:3:[c:5]:[c:25]:[c:22](:[c:21]:[c:20]:3)-[O:23]-[C:24]	1	312
+[C:1]-[C:2](-[N:3])=[S:4]>>[N:3].[C:1]-[C:2](=[O:26])-[O:27].[S:4]=[P:6]-1(-[S:7]-[P:8](-[c:9]:2:[c:10]:[c:11]:[c:12](-[O:13]-[C:14]):[c:15]:[c:16]:2)(=[S:17])-[S:18]-1)-[c:19]:3:[c:5]:[c:25]:[c:22](:[c:21]:[c:20]:3)-[O:23]-[C:24]	1	313
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+[C:1]-[C:2](-[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-[c:8])=[O:9]>>[C:1]-[C:2](=[O:9])-[O:10]-[C:11]-[C:12].[C:5](=[O:6])=[N:7]-[c:8].[N:3]-[N:4]	1	323
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+[C:1]-[C:2](-[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)=[O:10]>>[C:1]-[C:2](=[O:10])-[Cl:11].[N+:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)(=[O:9])-[O-:12]	1	331
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+[C:1]-[C:2](=[O:3])-[C:4]=[C:5]-[C:6]>>[C:5](-[C:6])-[O:7].[C:1]-[C:2](=[O:3])-[C:4]-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:13]	1	398
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+[C:1]-[C:2](=[O:3])-[N:4](-[C:5](=[O:6])-[O:7])-[C:8]>>[N:4](-[C:5](=[O:6])-[O:7])-[C:8].[C:1]-[C:2](=[O:3])-[O:9]-[C:10]-[C:11]	1	412
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+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]>>[C:1]-[C:2](=[O:3])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14].[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]	1	414
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]>>[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9].[C:1]-[C:2](=[O:3])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	415
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7]>>[C:6](-[C:7])-[O:9].[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[Cl:8]	1	416
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7]>>[C:6](-[C:7])=[O:9].[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[Cl:8]	1	417
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](-[O:3]-[C:8])=[O:7].[N:4](-[C:5])-[C:6]	1	418
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8](-[C:9])=[O:10].[N:4](-[C:5])(-[C:6])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17]	3	419,420,421
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9].[N:4](-[C:5])-[C:6]	4	422,423,424,425
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+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7].[N:4](-[C:5])(-[C:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	431
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7].[N:4](-[C:5])-[C:6]	1	432
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:1]-[C:2](=[O:3])-[Cl:7]	3	433,434,435
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:1]-[C:2](=[O:3])-[O:7]	5	436,437,438,439,440
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[C:1]-[C:2](=[O:3])-[Cl:7]	1	441
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[C:1]-[C:2](=[O:3])-[O:7]	1	442
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[C:1]-[C:2](=[O:3])-[O:7]	1	443
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](-[O:3]-[C:8])=[O:7]	1	444
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]	2	445,446
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]-[C:8]	3	447,448,449
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]	3	450,451,452
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9]	5	453,454,455,456,457
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	458
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+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6](:[c:7]):[c:8]>>[C:1]-[C:2](=[O:3])-[Cl:9].[N:4]-[C:5].[c:6](:[c:7])(:[c:8])-[Br:10]	1	460
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6])-[c:7]>>[C:1]-[C:2](=[O:3])-[Cl:8].[N:4](-[C:5](-[C:6])=[O:9])-[c:7]	1	461
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](-[C:6])-[C:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9](=[O:10])-[C:11].[N:4].[C:5](-[C:6])(-[C:7])=[O:12]	1	462
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](=[C:6](-[N:7])-[N:8])-[C:10](-[N:9])=[O:11]>>[C:5](=[C:6](-[N:7])-[N:8])-[C:10](-[N:9])=[O:11].[C:1]-[C:2](=[O:3])-[O:12].[N:4](=[O:13])-[O:14]	1	463
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](=[C:6](-[N:7])-[N:8])-[C:10](-[N:9])=[O:11]>>[N:4](-[C:5](=[C:6](-[N:7])-[N:8])-[C:10](-[N:9])=[O:11])=[O:13].[C:1]-[C:2](=[O:3])-[O:12]	1	464
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[N:7]-[c:8](:[c:9]):[n:10]>>[C:5](=[O:6])(-[C:11](=[O:12])-[Cl:13])-[Cl:14].[C:1]-[C:2](=[O:3])-[N:4].[N+:7](-[c:8](:[c:9]):[n:10])(=[O:15])-[O-:16]	1	465
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](-[N:7])=[O:8]>>[C:1]-[C:2](=[O:3])-[O:9]-[C:10]-[C:11].[N:4]-[C:5]-[C:6](-[N:7])=[O:8]	1	466
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](-[N:7])=[O:8]>>[C:1]-[C:2](=[O:3])-[O:9].[N:4](-[C:5]-[C:6](-[N:7])=[O:8])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16]	2	467,468
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[N:8]>>[C:1]-[C:2](=[O:3])-[O:9]-[C:10].[N:4]-[C:5]-[C:6](=[O:7])-[N:8]	2	469,470
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[N:8]>>[N:4](-[C:5]-[C:6](=[O:7])-[N:8])-[C:10](=[O:11])-[O:12]-[C:13]-[C:14]-1-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]-1:3.[C:1]-[C:2](-[O:3])=[O:9]	1	471
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[N:4]-[C:5]-[C:6](=[O:7])-[O:8].[C:1]-[C:2](=[O:3])-[O:9]	1	472
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[N:4]-[C:5]-[C:6](=[O:7])-[O:8].[C:1]-[C:2](=[O:3])-[O:9]-[C:10]	2	473,474
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[c:6]>>[N:4]#[C:5]-[c:6].[C:1]-[C:2](=[O:3])-[O:7]	1	475
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[Cl:6].[N:4](-[C:5])-[C:7](-[C:8])=[O:9]	1	476
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[C:5]	1	477
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8].[N:4]-[C:5]	3	478,479,480
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[N:4]-[C:5]	1	481
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[C:5]	3	482,483,484
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4](-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	3	485,486,487
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4](-[C:5])-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	1	488
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4](-[C:5])=[N+:7]=[N-:8]	1	489
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4](-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:1]-[C:2](=[O:3])-[O:6]	3	490,491,492
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4](-[C:5])=[N+:10]=[N-:11].[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])=[O:9]	1	493
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]	1	494
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]	2	495,496
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]	3	497,498,499
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8]	5	500,501,502,503,504
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	505
+[C:1]-[C:2](=[O:3])-[N:4]-[N:5]-1-[N:6]=[C:7](-[N:8])-[c:9](:[c:10]):[c:12](:[c:11])-[C:13]-1=[O:14]>>[n:5]:1:[n:6]:[c:7](-[N:8]):[c:9](:[c:10]):[c:12](:[c:11]):[c:13]:1-[O:14].[C:1]-[C:2](=[O:3])-[O:15].[N:4]-[O:16]-[P:17](=[O:18])(-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1)-[c:25]:2:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:2	1	506
+[C:1]-[C:2](=[O:3])-[N:4]-[N:5]-[C:6](=[O:7])-[N:8]-[C:9]>>[C:6](=[O:7])=[N:8]-[C:9].[C:1]-[C:2](=[O:3])-[O:10]-[C:11]-[C:12].[N:4]-[N:5]	1	507
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[O:5]	1	508
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5]-[C:9]-1-[C:8]-[C:7]-[C:6]-[C:11]-[O:10]-1.[C:1]-[C:2](=[O:3])-[O:12]	2	509,510
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5]-[C:9]-1-[C:8]-[C:7]-[C:6]-[C:11]-[O:10]-1.[C:1]-[C:2](=[O:3])-[O:12]-[C:13]-[C:14]	2	511,512
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5]-[Si:7](-[C:6])(-[C:8])-[C:9].[C:1]-[C:2](=[O:3])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	513
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8]	3	514,515,516
+[C:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[S:5]	1	517
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9](-[C:10])=[O:11].[N+:4](-[O:12])(-[O-:13])=[O:14].[c:5](:[c:6]):[c:7]	1	518
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9](-[C:10])=[O:11].[N+:4](=[O:12])(-[O-:13])-[O:14].[c:5](:[c:6]):[c:7]	1	519
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[n:7]>>[C:1]-[C:2](=[O:3])-[O:8].[N:4](-[c:5](:[c:6]):[n:7])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13](-[O:14]-[C:15]):[c:16]:[c:17]:1	2	520,521
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[n:9]:[c:8]:[c:7]>>[C:1]-[C:2](=[O:3])-[O:10].[c:5](:[c:6])(:[n:9]:[c:8]:[c:7])-[F:20].[N:4]-[C:17]-[c:16]:1:[c:15]:[c:14]:[c:13](-[O:12]-[C:11]):[c:19]:[c:18]:1	2	522,523
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]:[n:7]):[c:9]:[n:8]>>[C:1]-[C:2](=[O:3])-[Cl:10].[N+:4](-[c:5](:[c:6]:[n:7]):[c:9]:[n:8])(=[O:11])-[O-:12]	1	524
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9].[N:4]-[c:5](:[n:6]):[c:7]	2	525,526
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:8].[N+:4](-[c:5](:[n:6]):[c:7])(=[O:9])-[O-:10]	1	527
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[N+:4](-[c:5](:[n:6]):[c:7])(=[O:9])-[O-:10].[C:1]-[C:2](=[O:3])-[O:8]	1	528
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[N:4]-[c:5](:[n:6]):[c:7].[C:1]-[C:2](=[O:3])-[O:8]-[C:9]	2	529,530
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[C:1]-[C:2](=[O:3])-[O:8]-[C:9]	1	531
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]>>[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[F:11].[C:1]-[C:2](=[O:3])-[O:10].[N:4]	1	532
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:6]:[n:7]>>[N+:4](-[c:5]:[c:6]:[n:7])(=[O:9])-[O-:10].[C:1]-[C:2](=[O:3])-[Cl:8]	1	533
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[C:1]-[C:2](=[O:3])-[O:8].[N+:4](-[c:5]:[c:7]:[n:6])(=[O:9])-[O-:10]	2	534,535
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[Cl:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	10	536,537,538,539,540,541,542,543,544,545
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[Cl:6].[N:4](-[c:5])-[C:7](-[C:8])=[O:9]	2	546,547
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[c:5]	2	548,549
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])=[O:9].[N+:4](-[c:5])(=[O:10])-[O-:11]	7	550,551,552,553,554,555,556
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8].[N:4]-[c:5]	2	557,558
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[c:5]	6	559,560,561,562,563,564
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	2	565,566
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4](-[c:5])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	567
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4]-[c:5]	1	568
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9].[N+:4](-[c:5])(=[O:6])-[O-:7]	1	569
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:10])-[O-:11].[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])=[O:9]	1	570
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:7])-[O-:8].[C:1]-[C:2](=[O:3])-[O:6]	1	571
+[C:1]-[C:2](=[O:3])-[N:5](-[O:4])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8].[O:4]-[N:5]-[C:6]	1	572
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:6]-[Br:7])-[C:8]>>[Br:7].[C:5](=[C:6])-[C:8].[O:4]=[C:10](-[C:11])-[C:12].[C:1]-[C:2](=[O:3])-[O:9]	1	573
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[c:6](:[n:7]):[c:8])-[C:9]-1(-[Br:10])-[C:11](=[O:12])-[N:13]-[C:14]-1>>[C:1]-[C:2](=[O:3])-[O:15]-[C:16](-[C:17])=[O:18].[C:9]-1(-[Br:10])-[C:11](=[O:12])-[N:13]-[C:14]-1.[O:4]-[C:5]-[c:6](:[n:7]):[c:8]	1	574
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]>>[C:5](-[C:6])-[O:8].[C:1]-[C:2](=[O:3])-[O:4]-[C:7]	1	575
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6](:[c:7]):[n:8]>>[O:4]=[C:5](-[c:6](:[c:7]):[n:8])-[O:10]-[C:11]-[C:12].[C:1]-[C:2](=[O:3])-[Cl:9]	1	576
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[C:1]-[C:2](=[O:3])-[Cl:7].[O:4]=[C:5]-[c:6]	1	577
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[C:1]-[C:2](=[O:3])-[O:4].[C:5]-[c:6]	2	578,579
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8](-[C:9])=[O:10].[O:4]=[C:5]-[c:6]	1	580
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[C:5]-[c:6].[C:1]-[C:2](=[O:3])-[O:4]	1	581
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[O:4]=[C:5]-[c:6].[C:1]-[C:2](=[O:3])-[Cl:7]	1	582
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[C:1]-[C:2]#[N:6].[O:4]-[C:5].[O:3]	1	583
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2]#[N:6].[O:3]	1	584
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]	2	585,586
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]	1	587
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8]	1	588
+[C:1]-[C:2](=[O:3])-[O:4]-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11]>>[C:1]-[C:2](=[O:3])-[O:12]-[C:13]-[C:14].[O:4]-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11]	1	589
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]#[N:7].[O:4]-[C:6]-[C:5].[O:3]-[O:8]	1	590
+[C:1]-[C:2](=[O:3])-[S:4]-[C:5](-[C:6])-[C:7]>>[C:1]-[C:2](-[O:3])=[S:4].[C:5](-[C:6])(-[C:7])-[O:8]	1	591
+[C:1]-[C:2](=[O:3])-[S:4]-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])-[O:8].[C:1]-[C:2](-[O:3])=[S:4]	1	592
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]=[O:3].[c:4](:[c:5])(:[c:6])-[Mg:7]-[Br:8]	1	593
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Mg:7]-[Br:8].[C:1]-[C:2](=[O:3])-[O:9]	1	594
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5]):[c:6].[C:1]-[C:2](=[O:3])-[O:7]	1	595
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:7]:[n:6]>>[C:1]-[C:2]=[O:3].[c:4](:[c:5]):[c:7]:[n:6]	1	596
+[C:1]-[C:2](=[O:3])-[c:4]>>[C:1]-[Mg:5]-[Br:6].[C:2](-[O:3])(-[c:4])=[O:7]	1	597
+[C:1]-[C:2]-1(-[C:3])-[C:4](-[O:5]-[C:7])(-[c:6])-[O:8]-1>>[C:1]-[C:2](-[C:3])-[C:4](-[c:6])=[O:8].[O:5]-[C:7]	1	598
+[C:1]-[C:2]-1(-[C:3])-[C:4](-[c:5](:[c:6]):[c:7]-[N:8]-[C:9]-1-[c:10])-[O:11]>>[C:1]-[C:2](-[C:3])-[C:4]=[O:11].[c:5](:[c:6]):[c:7]-[N:8].[C:9](-[c:10])=[O:12]	1	599
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]:[c:10]-1:[c:9]>>[C:1]-[C:2](-[C:3])=[C:4]-[C:5](=[O:6])-[Cl:11].[N:7]-[c:8]:[c:10]:[c:9]	1	600
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[c:5](:[c:6]):[c:7]-[N:8]-[C:9]-1-[c:10]>>[C:1]-[C:2](-[C:3])-[C:4]=[O:11].[c:5](:[c:6]):[c:7]-[N:8].[C:9](-[c:10])=[O:12]	1	601
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[c:5](:[c:6]):[c:7]-[N:8]-[C:9]-1-[c:10]>>[C:1]-[C:2](-[C:3])-[C:4]=[O:11].[c:5](:[c:6]):[c:7]-[N:8]=[C:9]-[c:10]	1	602
+[C:1]-[C:2]-1(-[C:3])-[N:4]-[C:5](=[O:6])-[c:7](:[c:8]-[N:10]-1):[s:9]>>[C:1]-[C:2](-[C:3])=[O:11].[N:4].[C:5](=[O:6])(-[c:7](:[c:8]-[N:10]):[s:9])-[O:12]	1	603
+[C:1]-[C:2]-1(-[C:3]-[C:4]-[C:5](=[O:6])-[C:7]=[C:8]-1-[c:9])-[C:10]>>[C:3]=[C:4]-[C:5](=[O:6])-[C:7].[C:1]-[C:2](-[C:8](-[c:9])=[O:11])-[C:10]	2	604,605
+[C:1]-[C:2]-1(-[C:3]-[N:4]-[C:5](=[O:6])-[C:7]-1)-[C:8]>>[C:1]-[C:2](=[C:7]-[C:5](=[O:6])-[O:11]-[C:10]-[C:9])-[C:8].[C:3]-[N+:4](=[O:12])-[O-:13]	1	606
+[C:1]-[C:2]-1-[C:3]-[C:4](-[c:5])=[N:6]-[O:7]-1>>[C:1]-[C:2]=[C:3].[C:4](-[c:5])=[O:8].[N:6]-[O:7]	1	607
+[C:1]-[C:2]-1-[C:3]-[C:4](-[c:5])=[N:6]-[O:7]-1>>[C:1]-[C:2]=[C:3].[N:6]-[O:7].[C:4](-[c:5])=[O:8]	1	608
+[C:1]-[C:2]-1-[C:3]-[O:4]-1>>[O:4]-[O:25]-[C:26](=[O:27])-[c:28]:1:[c:29]:[c:30]:[c:31]:[c:32](-[Cl:33]):[c:34]:1.[C:3]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3.[C:1]-[C:2]=[O:24]	1	609
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[N:6]-[c:7])-[C:8](=[O:9])-[N:10]-[N:11]-1>>[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:12]-[C:13]-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[C:8](=[O:9])-[N:10]-[N:11]-1.[N:6]-[c:7]	1	610
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[N:6]-[c:7])-[C:8](=[O:9])-[N:10]-[N:11]-1>>[N+:6](-[c:7])(=[O:13])-[O-:14].[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:12])-[C:8](=[O:9])-[N:10]-[N:11]-1	1	611
+[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5](=[O:6])-[N:7](-[c:8](:[c:9]):[c:10])-[C:11](-[C:12])=[N:13]-1>>[N:7]=[C:11](-[C:12])-[N:13].[c:8](:[c:9])(:[c:10])-[B:17](-[O:18])-[O:19].[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:14]-[C:15])=[O:16]	1	612
+[C:1]-[C:2]-1=[C:3]-[C:4](=[C:5]=[N-:6])-[N+:7](-[C:8]=[C:9]-1)=[O:10]>>[C:1]-[c:2]:1:[c:3]:[c:4]:[n:7]:[c:8]:[c:9]:1.[C:5](#[N:6])-[Si:21](-[C:22])(-[C:23])-[C:24].[O:10]-[O:11]-[C:12](=[O:13])-[c:14]:1:[c:15]:[c:16](:[c:17]:[c:18]:[c:19]:1)-[Cl:20]	1	613
+[C:1]-[C:2]-1=[C:3]-[C:4](=[C:5]=[N-:6])-[N+:7](-[C:8]=[C:9]-1)=[O:10]>>[C:5](#[N:6])-[Si:21](-[C:22])(-[C:23])-[C:24].[O:10]-[O:11]-[C:12](=[O:13])-[c:14]:1:[c:15]:[c:16](:[c:17]:[c:18]:[c:19]:1)-[Cl:20].[C:1]-[c:2]:1:[c:3]:[c:4]:[n:7]:[c:8]:[c:9]:1	1	614
+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-1-[C:8]-[c:9]>>[C:8]-[c:9].[C:1]-[C:2]=1-[N:3]-[N:4]-[C:5](=[O:6])-[N:7]=1	1	615
+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-1-[c:8]>>[C:1]-[C:2](-[N:3]-[N:4])=[O:9].[C:5](=[O:6])=[N:7]-[c:8]	1	616
+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-1-[c:8]>>[C:1]-[C:2](=[O:9])-[O:10]-[C:11]-[C:12].[C:5](=[O:6])=[N:7]-[c:8].[N:3]-[N:4]	1	617
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[Br:4].[C:1]-[C:2](-[O:5])=[O:6]	1	618
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2](-[O:8])=[O:9]	2	619,620
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2](-[O:8]-[C:10]-[C:11])=[O:9]	1	621
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2](=[O:8])-[O:9]-[C:10]	1	622
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2]-[O:8]-[C:9](-[C:10])=[O:11]	1	623
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2]-[O:8]-[C:9]-1-[C:10]-[C:11]-[C:12]-[C:13]-[O:14]-1	1	624
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[C:1]-[C:2]-[O:7]-[Si:8](-[C:9])(-[C:10])-[C:11](-[C:12])(-[C:13])-[C:14]	1	625
+[C:1]-[C:2]-[Br:3]>>[Br:3].[C:1]-[C:2]-[O:4]	1	626
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2](-[O:5])=[O:6].[C:3]#[N:4]	1	627
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2]-[O:5].[C:3]#[N:4]	6	628,629,630,631,632,633
+[C:1]-[C:2]-[C:3](-[C:4](=[O:5])-[O:6]-[C:7])-[c:8]>>[O:6]-[C:7].[C:1]-[C:2]-[I:10].[C:3](-[C:4](=[O:5])-[O:9])-[c:8]	1	634
+[C:1]-[C:2]-[C:3](-[N:4])=[O:5]>>[C:1]-[C:2]-[O:6]-[S:7](=[O:8])(=[O:9])-[C:10].[C:3]#[N:4].[O:5]-[O:11]	1	635
+[C:1]-[C:2]-[C:3](-[O:4])-[C:5]>>[C:1]-[C:2]-[Mg:6]-[Br:7].[C:3](-[O:4])-[C:5]	1	636
+[C:1]-[C:2]-[C:3](-[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[C:2]-[Mg:8]-[Br:9].[C:3](-[O:4])-[c:5]:[c:6]:[n:7]	1	637
+[C:1]-[C:2]-[C:3](-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1)(-[C:9])-[c:10]>>[C:3](-[C:9])(-[c:10])=[O:11].[C:1]-[C:2]-[Mg:12]-[Br:13].[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1	1	638
+[C:1]-[C:2]-[C:3](=[O:4])-[N:5]>>[C:3]#[N:5].[C:1]-[C:2]-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10].[O:4]-[O:11]	1	639
+[C:1]-[C:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[C:2]-[Mg:6]-[Br:7].[C:3](=[O:4])-[c:5]	1	640
+[C:1]-[C:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]=[O:7].[C:3](-[C:4](=[O:5])-[O:6])=[P:8](-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)(-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2)-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:3	1	641
+[C:1]-[C:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[C:1]-[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	2	642,643
+[C:1]-[C:2]-[C:3]-[C:4]>>[C:3](-[C:4])=[O:5].[C:1]-[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	3	644,645,646
+[C:1]-[C:2]-[C:3]-[O:4]>>[C:1]-[C:2]=[C:3]-[O:4]-[C:5]	1	647
+[C:1]-[C:2]-[C:3]-[O:4]>>[O:4]-[O:25].[C:3]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3.[C:1]-[C:2]=[O:24]	1	648
+[C:1]-[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:6])-[Br:7]	2	649,650
+[C:1]-[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Br:7].[C:1]-[C:2]=[C:3]	1	651
+[C:1]-[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[I:7].[C:1]-[C:2]#[C:3]	1	652
+[C:1]-[C:2]-[C:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[C:1]-[C:2]#[C:3].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:9]	1	653
+[C:1]-[C:2]-[C:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:9].[C:1]-[C:2]#[C:3]	1	654
+[C:1]-[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])=[O:5].[C:1]-[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	1	655
+[C:1]-[C:2]-[Cl:3]>>[C:1]-[C:2](=[O:7])-[O:8]-[C:9]-[C:10].[Cl:3]-[S:4](=[O:5])-[Cl:6]	1	656
+[C:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1]-[C:2](-[O:7])=[O:8]	1	657
+[C:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1]-[C:2](-[O:7]-[C:9]-[C:10])=[O:8]	1	658
+[C:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:5](-[Cl:4])=[O:6].[C:1]-[C:2]-[O:7]-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	659
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2](=[O:4])-[O:5]-[C:6]-[C:7].[I:3]	1	660
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2](=[O:5])-[O:6]-[C:7]-[C:8].[I:3]-[I:4]	2	661,662
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2](=[O:5])-[O:6].[I:3]-[I:4]	1	663
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2]-[O:4]-[C:5]-1-[C:6]-[C:7]-[C:8]-[C:9]-[O:10]-1.[I:3]	1	664
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2]-[O:4].[I:3]	3	665,666,667
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[C:6])-[C:7]>>[N:3](-[C:4](=[O:5])-[C:6])-[C:7].[C:1]-[C:2]-[O:8]	2	668,669
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[C:11]>>[C:1]-[C:2]=[O:12].[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[N:3]-[C:11]	1	670
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[C:11]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[C:2]-[Br:12].[N:3]-[C:11]	1	671
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[C:7]>>[C:1]-[C:2](=[O:9])-[O:10].[C:5](=[O:6])(-[C:7])-[O:8].[N:3]-[C:4]	1	672
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[C:7]>>[C:5](=[O:6])(-[C:7])-[O:9].[C:1]-[C:2](-[N:3]-[C:4])=[O:8]	1	673
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[C:7]>>[C:5](=[O:6])(-[C:7])-[O:9].[N:3]-[C:4].[C:1]-[C:2]=[O:8]	1	674
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[N:7]>>[C:1]-[C:2]-[Br:8].[C:5](=[O:6])(-[N:7])-[Cl:9].[N:3]-[C:4]	1	675
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:3]-[C:4].[C:1]-[C:2](=[O:20])-[O:21]	1	676
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[C:2](-[N:3]-[C:4])=[O:12]	1	677
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](-[Br:6])-[Br:7].[N:3](-[C:4])-[C:5]	1	678
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](-[O:6]-[C:7])-[O:8]-[C:9].[N:3](-[C:4])-[C:5]	1	679
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](-[O:6]-[C:7]-[C:8])-[O:9]-[C:10]-[C:11].[N:3](-[C:4])-[C:5]	1	680
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9].[N:3](-[C:4])-[C:5]	1	681
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](=[O:6])-[O:7].[N:3](-[C:4])-[C:5]	2	682,683
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-1-[O:6]-[C:7]-[C:8]-[O:9]-1.[N:3](-[C:4])-[C:5]	2	684,685
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[Br:6].[C:4]=[O:7].[N:3]-[C:5]	1	686
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[Br:6].[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	4	687,688,689,690
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[I:6].[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	691
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[O:6].[N:3](-[C:4])-[C:5]	10	692,693,694,695,696,697,698,699,700,701
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]=[O:6].[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	2	702,703
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]=[O:6].[N:3](-[C:4])(-[C:5])-[C:7](=[O:8])-[C:9](-[F:10])(-[F:11])-[F:12]	1	704
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]=[O:6].[N:3](-[C:4])(-[C:5])-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	1	705
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:1]-[C:2]-[Br:6]	1	706
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](-[O:6]-[C:7])-[O:8]-[C:9]	1	707
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](=[O:6])-[O:7]	6	708,709,710,711,712,713
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](=[O:6])-[O:7]-[C:8]	1	714
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9]	2	715,716
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[Cl:6]	1	717
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:6]	29	718,719,720,721,722,723,724,725,726,727,728,729,730,731,732,733,734,735,736,737,738,739,740,741,742,743,744,745,746
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:6]-[C:7](-[C:8])=[O:9]	1	747
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:6]-[Si:7](-[C:8](-[C:9])(-[C:10])-[C:11])(-[C:12])-[C:13]	1	748
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:6]-[Si:7](-[C:8])(-[C:9])-[C:10](-[C:11])(-[C:12])-[C:13]	1	749
+[C:1]-[C:2]-[N:3](-[C:4])-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:1]-[C:2]=[O:9].[N:3]-[C:4].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:10]	1	750
+[C:1]-[C:2]-[N:3](-[C:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](-[N:3]-[C:4])=[O:8].[c:5](:[c:6])(:[c:7])-[F:9]	1	751
+[C:1]-[C:2]-[N:3](-[C:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](=[O:9])-[O:10].[N:3]-[C:4].[c:5](:[c:6])(:[c:7])-[F:8]	1	752
+[C:1]-[C:2]-[N:3](-[C:4]-[C:5](-[N:6])=[O:9])-[c:7]>>[C:1]-[C:2](-[N:3]-[c:7])=[O:8].[C:4](-[C:5](-[N:6])=[O:9])-[I:10]	1	753
+[C:1]-[C:2]-[N:3](-[C:4]-[C:5]-[N:6])-[c:7]>>[C:1]-[C:2](-[N:3]-[c:7])=[O:8].[C:4](-[C:5](-[N:6])=[O:9])-[I:10]	1	754
+[C:1]-[C:2]-[N:3](-[C:4]-[c:5])-[c:6]>>[C:1]-[C:2]=[O:7].[N:3]-[c:6].[C:4](-[c:5])-[Br:8]	1	755
+[C:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:6]=[O:7]>>[C:1]-[C:2]-[O:8].[N:3](-[C:4]=[O:5])-[C:6]=[O:7]	1	756
+[C:1]-[C:2]-[N:3](-[C:5]=[O:4])-[C:6]=[O:7]>>[C:1]-[C:2]-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[N:3](-[C:5]=[O:4])-[C:6]=[O:7]	1	757
+[C:1]-[C:2]-[N:3](-[C:5]=[O:4])-[C:6]=[O:7]>>[N:3](-[C:5]=[O:4])-[C:6]=[O:7].[C:1]-[C:2]-[O:8]	1	758
+[C:1]-[C:2]-[N:3](-[c:4])-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])=[O:9].[C:1]-[C:2]=[O:8].[N:3]-[c:4]	1	759
+[C:1]-[C:2]-[N:3](-[c:4])-[C:5]-[C:6]>>[C:1]-[C:2]-[Cl:7].[C:5](-[C:6])-[Cl:8].[N+:3](-[c:4])(=[O:9])-[O-:10]	1	760
+[C:1]-[C:2]-[N:3](-[c:4])-[C:5]-[C:6]>>[C:1]-[C:2]-[Cl:8].[C:5](-[C:6])-[Cl:7].[N+:3](-[c:4])(=[O:9])-[O-:10]	1	761
+[C:1]-[C:2]-[N:3](-[c:4])-[C:6](-[C:5])=[O:7]>>[C:5]-[C:6](=[O:7])-[O:9]-[C:10](-[C:11])=[O:12].[C:1]-[C:2](-[N:3]-[c:4])=[O:8]	1	762
+[C:1]-[C:2]-[N:3]-1-[C:4]-[C:5]-[N:6]-[C:7]-[c:8](:[c:9]-1):[c:10]>>[C:7]=[O:14].[C:1]-[C:2](-[N:3]-[c:9]:[c:8]:[c:10])=[O:11].[C:4](-[C:5](-[N:6])=[O:12])-[I:13]	1	763
+[C:1]-[C:2]-[N:3]-1-[c:4](:[c:5]-[N:7](-[c:8])-[S:9]-1(=[O:10])=[O:11]):[c:6]>>[C:1]-[C:2]-[O:12].[N:3]-[S:9](=[O:10])(=[O:11])-[N:13].[c:4](:[c:5]-[N:7]-[c:8])(:[c:6])-[N:14]	1	764
+[C:1]-[C:2]-[N:3]-[C:4](-[C:5])=[O:6]>>[C:1]-[C:2]#[N:3].[C:4](-[C:5])(=[O:6])-[O:7]	1	765
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[C:6]>>[C:1]-[C:2]#[N:3].[C:4](=[O:5])(-[C:6])-[O:7]	1	766
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]-[O:10]-[S:11](-[c:12]:1:[c:13]:[c:14]:[c:15](-[C:16]):[c:17]:[c:18]:1)(=[O:19])=[O:20].[N-:3]=[N+:9]=[N-:8].[C:4](=[O:5])(-[O:6])-[Cl:7]	1	767
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]-[O:10].[N-:3]=[N+:9]=[N-:8].[C:4](=[O:5])(-[O:6])-[Cl:7]	1	768
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]:[c:7]:[n:8]>>[C:4](-[O:5])(-[c:6]:[c:7]:[n:8])=[O:9].[C:1]-[C:2]#[N:3]	1	769
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:1]-[C:2]#[N:3].[C:4](=[O:5])(-[c:6])-[Cl:7]	3	770,771,772
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:1]-[C:2]#[N:3].[C:4](=[O:5])(-[c:6])-[O:7]	1	773
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[O:7].[C:1]-[C:2]#[N:3]	1	774
+[C:1]-[C:2]-[N:3]-[C:4]-[C:5]-[O:6]>>[C:1]-[C:2](-[N:3])=[O:7].[C:4]-1-[C:5]-[O:6]-1	1	775
+[C:1]-[C:2]-[N:3]-[C:4]-[C:5]>>[C:1]-[C:2]-[Br:6].[N:3]#[C:4]-[C:5]	1	776
+[C:1]-[C:2]-[N:3]-[C:4]-[c:5](:[c:6]):[c:7]>>[C:4]=[O:9].[C:1]-[C:2](-[N:3])=[O:8].[c:5](:[c:6]):[c:7]	1	777
+[C:1]-[C:2]-[N:3]-[C:4]-[c:5]>>[C:1]-[C:2]#[N:3].[C:4](-[c:5])=[O:6]	1	778
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2](-[N:3](-[C:4])-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1)=[O:12]	1	779
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2](=[O:5])-[O:6]-[C:7].[N:3]-[C:4]	2	780,781
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2](=[O:5])-[O:6].[N:3]-[C:4]	2	782,783
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2]-[O:5]-[Si:6](-[C:7])(-[C:8](-[C:9])(-[C:10])-[C:11])-[C:12].[N:3]-[C:4]	1	784
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2]-[O:5].[N:3]-[C:4]	6	785,786,787,788,789,790
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3](-[C:4])=[N+:6]=[N-:7].[C:1]-[C:2]=[O:5]	1	791
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2](-[O:5]-[C:6])-[O:7]-[C:8]	1	792
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[Cl:6]	1	793
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[O:6]	3	794,795,796
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[O:6]-[C:7]-[C:8]	1	797
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[Br:5]	1	798
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[Cl:5]	1	799
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[O:5]	5	800,801,802,803,804
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[O:5]-[Si:6](-[C:7])(-[C:8])-[C:9](-[C:10])(-[C:11])-[C:12]	1	805
+[C:1]-[C:2]-[N:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[N:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:13].[C:1]-[C:2]-[O:8]-[S:9](-[C:10])(=[O:11])=[O:12]	1	806
+[C:1]-[C:2]-[N:3]-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1>>[C:1]-[C:2]#[N:3].[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[Cl:10]	1	807
+[C:1]-[C:2]-[N:3]-[c:4]:[c:6]:[n:5]>>[N+:3](-[c:4]:[c:6]:[n:5])(=[O:8])-[O-:9].[C:1]-[C:2]=[O:7]	1	808
+[C:1]-[C:2]-[N:3]-[c:4]>>[N+:3](-[c:4])(=[O:6])-[O-:7].[C:1]-[C:2]=[O:5]	1	809
+[C:1]-[C:2]-[N:3]=[N+:4]=[N-:5]>>[C:1]-[C:2](-[O:6])=[O:7].[N-:3]=[N+:4]=[N-:5]	1	810
+[C:1]-[C:2]-[N:3]=[N+:4]=[N-:5]>>[C:1]-[C:2]-[O:6].[N-:3]=[N+:4]=[N-:5]	6	811,812,813,814,815,816
+[C:1]-[C:2]-[N:3]=[N+:4]=[N-:5]>>[N-:3]=[N+:4]=[N-:5].[C:1]-[C:2]-[O:6]	2	817,818
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9].[N-:3]=[N+:5]=[N-:4]	1	819
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8].[N-:3]=[N+:5]=[N-:4]	1	820
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2](=[O:6])-[O:7].[N-:3]=[N+:5]=[N-:4]	1	821
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2]-[O:6]-[Si:7](-[C:8](-[C:9])(-[C:10])-[C:11])(-[C:12])-[C:13].[N-:3]=[N+:5]=[N-:4]	1	822
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2]-[O:6].[N-:3]=[N+:5]=[N-:4]	4	823,824,825,826
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[O:6]	2	827,828
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](-[N:3])=[O:4]	1	829
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](=[O:4])-[O:5].[N:3]	2	830,831
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9].[N-:3]=[N+:5]=[N-:4]	1	832
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8].[N-:3]=[N+:5]=[N-:4]	1	833
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](=[O:6])-[O:7].[N-:3]=[N+:5]=[N-:4]	1	834
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[Br:6].[N-:3]=[N+:5]=[N-:4]	1	835
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[C:4](=[O:5])-[O:6].[N:3](-[P:7](=[O:8])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2)=[N+:21]=[N-:22]	1	836
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[I:14].[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	837
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[I:14].[N:3]-1-[C:8](-[c:7]:2:[c:6]:[c:5]:[c:4]:[c:13]:[c:12]:2-[C:11]-1=[O:10])=[O:9]	1	838
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[I:6].[N-:3]=[N+:5]=[N-:4]	1	839
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:11].[N:3]-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:10]:[c:9]:1	1	840
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:14]-[C:15]-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1.[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	841
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:14]-[S:15](-[C:16])(=[O:17])=[O:18].[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	842
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:14].[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	2	843,844
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:5]-[Si:6](-[C:7](-[C:8])(-[C:9])-[C:10])(-[C:11])-[C:12].[N-:3]=[N+:4]=[N-:13]	1	845
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10].[N-:3]=[N+:5]=[N-:4]	1	846
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:6]-[S:7](-[c:8]:1:[c:9]:[c:10]:[c:11](-[C:12]):[c:13]:[c:14]:1)(=[O:15])=[O:16].[N-:3]=[N+:5]=[N-:4]	1	847
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:6].[N-:3]=[N+:5]=[N-:4]	6	848,849,850,851,852,853
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]=[O:11].[N:3]-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:10]:[c:9]:1	1	854
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[Br:6]	1	855
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[O:6]	2	856,857
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10]	3	858,859,860
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[O:6]-[S:7](-[c:8]:1:[c:9]:[c:10]:[c:11](-[C:12]):[c:13]:[c:14]:1)(=[O:15])=[O:16]	1	861
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:6].[C:1]-[C:2]-[O:4]	1	862
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:7]=[N-:8].[C:1]-[C:2](=[O:4])-[O:5]-[C:6]	1	863
+[C:1]-[C:2]-[N:3]>>[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13].[C:1]-[C:2]-[O:14]	2	864,865
+[C:1]-[C:2]-[O:11]-[S:8](-[c:7]:1:[c:6]:[c:5]:[c:4](-[C:3]):[c:13]:[c:12]:1)(=[O:9])=[O:10]>>[C:1]-[C:2](-[O:11])=[O:14].[C:3]-[c:4]:1:[c:5]:[c:6]:[c:7](-[S:8](=[O:9])(=[O:10])-[Cl:15]):[c:12]:[c:13]:1	2	866,867
+[C:1]-[C:2]-[O:3]-[C:4](-[C:5]-[C:6])-[O:7]>>[C:4](=[C:5]-[C:6])-[O:7].[C:1]-[C:2](-[O:3])=[O:8]	1	868
+[C:1]-[C:2]-[O:3]-[C:4](=[O:5])-[C:6]>>[C:1]-[C:2]-[I:7].[C:4](-[C:6])#[N:8].[O:3].[O:5]	1	869
+[C:1]-[C:2]-[O:3]-[C:4]-[c:5]>>[C:1]-[C:2](-[O:3])=[O:6].[C:4](-[c:5])-[Br:7]	2	870,871
+[C:1]-[C:2]-[O:3]-[C:4]>>[C:1]-[C:2]-[O:5].[O:3]-[C:4]	1	872
+[C:1]-[C:2]-[O:3]-[C:4]>>[C:4]-[I:5].[C:1]-[C:2]=[O:3]	1	873
+[C:1]-[C:2]-[O:3]-[C:4]>>[O:3]-[C:4].[C:1]-[C:2]-[O:5]	1	874
+[C:1]-[C:2]-[O:3]-[N:4]>>[C:1]-[C:2]-[O:15].[O:3]-[N:4]-1-[C:6](=[O:5])-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14]	1	875
+[C:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[C:2](-[O:3])=[O:8].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:9]	1	876
+[C:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[C:2](-[O:3]-[C:10]-[C:11])=[O:9].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:8]	1	877
+[C:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9]-[C:10].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:11]	1	878
+[C:1]-[C:2]-[O:3]-[S:4](=[O:5])(=[O:6])-[c:7]:1:[c:8]:[c:9]:[c:10](-[C:11]):[c:12]:[c:13]:1>>[C:1]-[C:2](=[O:3])-[O:14]-[C:15].[S:4](=[O:5])(=[O:6])(-[c:7]:1:[c:8]:[c:9]:[c:10](-[C:11]):[c:12]:[c:13]:1)-[Cl:16]	1	879
+[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7]>>[C:1]-[C:2](-[O:3])=[O:8].[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:9]	1	880
+[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7]>>[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:11].[C:1]-[C:2](=[O:3])-[O:8]-[C:9]-[C:10]	2	881,882
+[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7]>>[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:8].[C:1]-[C:2]=[O:3]	1	883
+[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7]>>[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:9].[C:1]-[C:2](-[O:3])=[O:8]	1	884
+[C:1]-[C:2]-[O:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]#[N:8].[c:4](:[c:5])(:[c:6])-[O:7].[O:3]	1	885
+[C:1]-[C:2]-[O:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2](-[O:3])=[O:7].[c:4](:[c:5])(:[c:6])-[O:8]	2	886,887
+[C:1]-[C:2]-[O:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9].[c:4](:[c:5])(:[c:6])-[O:10]	1	888
+[C:1]-[C:2]-[O:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[O:10].[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9]	1	889
+[C:1]-[C:2]-[O:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:2:[c:9]:1:[c:10]:[c:12](:[c:11]):[n:13]:2-[C:14]-[c:15]>>[C:1]-[C:2]-[Cl:16].[C:14](-[c:15])-[Br:17].[O:3]=[C:4]-1-[C:5]-[C:6]-[C:7]-[c:8]:2:[c:9]-1:[c:10]:[c:12](:[c:11]):[n:13]:2	1	890
+[C:1]-[C:2]-[O:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:2:[c:9]:1:[c:10]:[c:12](:[c:11]):[n:13]:2>>[C:1]-[C:2]-[Cl:14].[O:3]=[C:4]-1-[C:5]-[C:6]-[C:7]-[c:8]:2:[c:9]-1:[c:10]:[c:12](:[c:11]):[n:13]:2	1	891
+[C:1]-[C:2]-[O:3]-[c:4]:[c:5]:[n:6]>>[C:1]-[C:2]-[O:7].[O:3]-[c:4]:[c:5]:[n:6]	1	892
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[Br:5].[O:3](-[c:4])-[C:6]	1	893
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[Br:5].[O:3](-[c:4])-[C:6](=[O:7])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	894
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[Br:5].[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	2	895,896
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[Cl:5].[O:3](-[c:4])-[C:6]	1	897
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[I:5].[O:3](-[c:4])-[C:6]	5	898,899,900,901,902
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[O:5]-[S:6](-[C:7])(=[O:8])=[O:9].[O:3](-[c:4])-[C:10]-[O:11]-[C:12]-[C:13]-[O:14]-[C:15]	1	903
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[O:5].[O:3](-[c:4])-[C:6]	1	904
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[O:5].[O:3]-[c:4]	4	905,906,907,908
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1.[C:1]-[C:2]-[Br:12]	1	909
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6](-[C:7])=[O:8].[C:1]-[C:2]-[Br:5]	1	910
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[C:1]-[C:2]-[Br:5]	1	911
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[C:1]-[C:2]-[O:5]	1	912
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6].[C:1]-[C:2]-[Br:5]	2	913,914
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6].[C:1]-[C:2]-[I:5]	1	915
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3]-[c:4].[C:1]-[C:2]-[O:5]	2	916,917
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2]#[N:4].[O:3]	1	918
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3])-[C:4]-[O:5]	1	919
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:4])=[O:5]	9	920,921,922,923,924,925,926,927,928
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:4]-[C:5])-[O:6]-[C:7]-[C:8]	1	929
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:5])=[O:4]	4	930,931,932,933
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:5]-[C:4])=[O:6]	2	934,935
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:5]-[C:6])=[O:4]	8	936,937,938,939,940,941,942,943
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[Si:16]-[C:17](-[C:18])(-[C:19])-[C:20])(-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)-[c:12]:2:[c:5]:[c:4]:[c:15]:[c:14]:[c:13]:2	1	944
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]	1	945
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]	1	946
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2]=[C:4].[O:3]=[Os:5](=[O:6])(=[O:7])=[O:8]	2	947,948
+[C:1]-[C:2]-[O:3]>>[O:3]-[C:4]-[C:5].[C:1]-[C:2]#[N:6]	1	949
+[C:1]-[C:2]-[O:3]>>[O:3].[C:1]-[C:2]#[N:4]	1	950
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[C:2](-[O:7])=[O:8].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9]	2	951,952
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[C:2](=[O:7])-[O:8]-[C:9]-[C:10].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:11]	1	953
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[C:2](=[O:7])-[O:8].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9]	1	954
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[C:2](=[O:7])-[O:9]-[C:10]-[C:11].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8]	1	955
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:10].[C:1]-[C:2](=[O:7])-[O:8]-[C:9]	2	956,957
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8].[C:1]-[C:2]=[O:7]	1	958
+[C:1]-[C:2]-[S:3](-[C:4])=[O:5]>>[O:5]-[O:11]-[C:12](=[O:13])-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18](-[Cl:19]):[c:20]:1.[C:1]-[C:2]-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10].[S:3]-[C:4]	1	959
+[C:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[C:2](=[O:6])-[O:7].[c:3](:[c:4]):[c:5]	1	960
+[C:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[C:2]=[O:6].[c:3](:[c:4]):[c:5]	1	961
+[C:1]-[C:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[C:1]=[C:2]-[Sn:7](-[C:8]-[C:9]-[C:10]-[C:11])(-[C:12]-[C:13]-[C:14]-[C:15])-[C:16]-[C:17]-[C:18]-[C:19].[c:3](:[c:4])(:[c:6]:[n:5])-[Br:20]	1	962
+[C:1]-[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1>>[C:1]-[C:2](=[O:8])-[Cl:9].[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1	1	963
+[C:1]-[C:2]-[c:3]>>[C:1]-[C:2](-[c:3])=[O:4]	1	964
+[C:1]-[C:2]-[c:3]>>[C:2](-[c:3])=[O:4].[C:1]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	965
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1>>[C:1]-[C:2]-[Cl:8].[n:3]:1(:[c:4]:[n:5]:[c:6]:[c:7]:1)-[C:9](-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2)(-[c:16]:3:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:3)-[c:22]:4:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:4	1	966
+[C:1]-[C:2]=[C:3](-[C:4]-[O:5]-[c:6](:[c:7]):[c:8])-[C:9]>>[C:1]-[C:2]=[C:3](-[C:4](=[O:5])-[O:10]-[C:11]-[C:12])-[C:9].[c:6](:[c:7])(:[c:8])-[O:13]	1	967
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2]-[C:3](-[C:7])=[O:8].[c:4](:[c:5])(:[c:6])-[Br:9]	3	968,969,970
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2]-[C:3](-[C:7])=[O:8].[c:4](:[c:5]):[c:6]	1	971
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[c:4](:[c:5])(:[c:6])-[Br:9].[C:1]-[C:2]-[C:3](-[C:7])=[O:8]	1	972
+[C:1]-[C:2]=[C:3]-[C:4](-[O:5])-[C:6]>>[C:1]-[C:2]-[O:13].[C:3](-[C:4](=[O:5])-[C:6])-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:7]	2	973,974
+[C:1]-[C:2]=[C:3]-[C:4](-[O:5])-[C:6]>>[C:1]-[C:2]=[O:7].[C:3](-[C:4](=[O:5])-[C:6])-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:13]	3	975,976,977
+[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[C:6]>>[C:1]-[C:2]-[O:13].[C:3](-[C:4](=[O:5])-[C:6])-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:7]	2	978,979
+[C:1]-[C:2]=[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[C:1]-[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	2	980,981
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]-[C:2](-[O:5])=[O:6].[C:3](-[c:4])-[P+:7](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	2	982,983
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]-[C:2]-[C:3](-[c:4])=[O:5]	2	984,985
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]-[C:2]-[O:5].[C:3](-[c:4])-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	2	986,987
+[C:1]-[C:2]=[C:3]>>[C:1]-[C:2]-[O:23].[C:3]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:4]:[c:22]:[c:21]:[c:20]:[c:19]:3	1	988
+[C:1]-[C:2]=[N:3]-[O:4]>>[C:1]-[C:2](-[O:5])=[O:6].[N:3]-[O:4]	1	989
+[C:1]-[C:2]=[N:3]-[O:4]>>[C:1]-[C:2](-[O:5]-[C:6]-[C:7])-[O:8]-[C:9]-[C:10].[N:3]-[O:4]	1	990
+[C:1]-[C:2]=[N:3]-[O:4]>>[C:1]-[C:2]-[O:5].[N:3]-[O:4]	2	991,992
+[C:1]-[C:2]=[N:3]-[c:4]>>[C:1]-[C:2](=[O:5])-[O:6]-[C:7]-[C:8].[N:3]-[c:4]	1	993
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](-[O:3])=[O:4]	3	994,995,996
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](-[O:3]-[C:4])=[O:5]	1	997
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]	3	998,999,1000
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:5]	5	1001,1002,1003,1004,1005
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]	7	1006,1007,1008,1009,1010,1011,1012
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-[O:3]-[C:4]	1	1013
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-[O:3]-[C:4](=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	1	1014
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10]	1	1015
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7](-[C:8])(-[C:9])-[C:10]	1	1016
+[C:1]-[C:2]>>[C:1](-[C:2])-[O:3]	1	1017
+[C:1]-[C:3](-[C:2])(-[O:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[C:3](-[C:2])-[O:4].[c:5](:[c:6])(:[c:7])-[Mg:8]-[Br:9]	1	1018
+[C:1]-[C:3](-[C:2])-[N:4]=[N+:6]=[N-:5]>>[N-:4]=[N+:6]=[N-:5].[C:1]-[C:3](-[C:2])-[O:7]	1	1019
+[C:1]-[C:3](-[C:2])-[N:4]>>[N-:4]=[N+:6]=[N-:5].[C:1]-[C:3](-[C:2])-[O:7]	1	1020
+[C:1]-[C:3](-[C:2])-[N:4]>>[N-:4]=[N+:6]=[N-:5].[C:1]-[C:3](-[C:2])-[O:7]-[S:8](-[c:9]:1:[c:10]:[c:11]:[c:12](-[C:13]):[c:14]:[c:15]:1)(=[O:16])=[O:17]	1	1021
+[C:1]-[C:3](-[c:2])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:3](-[c:2])=[O:7]	1	1022
+[C:1]-[C:3](-[c:2])=[N:4]>>[C:1]-[C:3](-[c:2])=[O:11].[N:4]-[S:9](-[C:6](-[C:5])(-[C:7])-[C:8])=[O:10]	1	1023
+[C:1]-[C:4](-[N:2]-[c:3])=[O:5]>>[C:1]-[C:4](=[O:5])-[O:6].[N+:2](-[c:3])(=[O:7])-[O-:8]	1	1024
+[C:1]-[C:4](-[N:3]-[c:2])=[O:5]>>[c:2]-[N:3].[C:1]-[C:4](=[O:5])-[O:6]	1	1025
+[C:1]-[C:6](-[N:3](-[C:2])-[C:4]-[c:5])=[O:7]>>[C:1]-[C:6](=[O:7])-[O:10]-[C:9]-[C:8].[C:2]-[N:3]-[S:11](-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[C:4](-[c:5])=[O:17]	1	1026
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])-[O:7].[C:1]-[N:2]-[C:6]	1	1027
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])=[O:13].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[C:9](-[F:10])(-[F:11])-[F:12]	1	1028
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])=[O:14].[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1029
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])=[O:14].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	2	1030,1031
+[C:1]-[N:2](-[C:3](-[C:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[C:4])(-[c:5])-[O:7]	1	1032
+[C:1]-[N:2](-[C:3](-[C:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[C:4])(-[c:5])=[O:7]	1	1033
+[C:1]-[N:2](-[C:3](-[C:4])=[O:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:3](-[C:4])(=[O:5])-[Cl:14]	2	1034,1035
+[C:1]-[N:2](-[C:3](-[C:4])=[O:6])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(=[O:6])-[O:7]-[C:8]-[C:9]	1	1036
+[C:1]-[N:2](-[C:3](-[C:4])=[O:6])-[C:5]>>[C:3](-[C:4])(=[O:6])-[O:14].[C:1]-[N:2](-[C:5])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	1037
+[C:1]-[N:2](-[C:3](-[c:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[c:4])(-[c:5])-[O:7]	1	1038
+[C:1]-[N:2](-[C:3](=[N:4])-[N:5]-[O:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](#[N:4])-[Br:8].[N:5]-[O:6]	1	1039
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5](-[F:6])(-[F:7])-[F:8])-[C:9](-[C:10])-[C:11]>>[C:3](=[O:4])(-[C:5](-[F:6])(-[F:7])-[F:8])-[O:13]-[C:14](=[O:15])-[C:16](-[F:17])(-[F:18])-[F:19].[C:9](-[C:10])(-[C:11])=[O:12].[C:1]-[N:2]	1	1040
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6](-[C:7])-[C:8]>>[C:3](=[O:4])(-[C:5])-[O:10].[C:6](-[C:7])(-[C:8])=[O:9].[C:1]-[N:2]	1	1041
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13].[C:3](=[O:4])(-[C:5])-[O:14]	1	1042
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[C:5])-[O:7]	1	1043
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[C:5])-[O:7]-[C:8]	2	1044,1045
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[C:5])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]	3	1046,1047,1048
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[C:5])-[O:7]-[C:8]-[C:9]	2	1049,1050
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[Cl:14].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	1051
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:14].[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	5	1052,1053,1054,1055,1056
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:14].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	1057
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:14].[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	4	1058,1059,1060,1061
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:7]-[C:8]-[C:9].[C:1]-[N:2]-[C:6]	2	1062,1063
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:7]-[C:8].[C:1]-[N:2]-[C:6]	1	1064
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[c:6]>>[C:1]-[I:7].[C:3](=[O:4])(-[C:5])-[Cl:8].[N:2]-[c:6]	1	1065
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[c:6]>>[C:3](=[O:4])(-[C:5])-[Cl:14].[C:1]-[N:2](-[c:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	1066
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[N:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[N:8])-[O:10]-[C:11]-[C:12]	1	1067
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5]-[C:6]-[c:7])-[C:8]>>[C:3](=[O:4])(-[C:5]=[C:6]-[c:7])-[O:9].[C:1]-[N:2]-[C:8]	1	1068
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7])-[C:8]>>[N:5](-[C:6])-[C:7].[C:1]-[N:2]-[C:8].[C:3](=[O:4])(-[O:16]-[c:15]:1:[c:14]:[c:13]:[c:12](-[N+:10](=[O:9])-[O-:11]):[c:18]:[c:17]:1)-[Cl:19]	1	1069
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:3](=[O:4])(-[N:5])-[O:14]-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1	1	1070
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[C:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[N:5]-[C:6].[C:3](=[O:4])(-[n:15]:1:[c:16]:[c:17]:[n:18]:[c:19]:1)-[n:20]:2:[c:21]:[c:22]:[n:23]:[c:24]:2	1	1071
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6](:[c:7]):[n:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3](=[O:4])(-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:1)-[Cl:17].[N:5]-[c:6](:[c:7]):[n:8]	1	1072
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[s:8])-[c:9]>>[N:5]-[c:6](:[n:7]):[s:8].[C:3](=[O:4])(-[O:17]-[c:16]:1:[c:15]:[c:14]:[c:13](-[N+:11](=[O:10])-[O-:12]):[c:19]:[c:18]:1)-[Cl:20].[C:1]-[N:2]-[c:9]	1	1073
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:3](=[O:4])=[N:5]-[c:6]	1	1074
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[C:3](=[O:4])=[N:5]-[c:6]	1	1075
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](=[O:4])(-[O:8]-[C:9](-[Cl:10])(-[Cl:11])-[Cl:12])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17].[N+:5](-[c:6])(=[O:18])-[O-:19]	1	1076
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:3](=[O:4])(-[O:5])-[Cl:14]	1	1077
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:3](=[O:4])(-[O:5])-[Cl:14]	2	1078,1079
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:3](=[O:4])(-[O:5])-[Cl:14].[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1080
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:3](=[O:4])(-[O:5])-[Cl:14].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	1081
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:3](=[O:4])(-[O:5])-[Cl:14].[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	2	1082,1083
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10](-[C:11])-[C:12]>>[C:1]-[N:2].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:14]-[C:15](-[O:16]-[C:17](-[C:18])(-[C:19])-[C:20])=[O:21].[C:10](-[C:11])(-[C:12])=[O:13]	1	1084
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10](-[C:11]-[C:12]=[C:13])-[C:14]>>[C:1]-[N:2].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:16]-[C:17](-[O:18]-[C:19](-[C:20])(-[C:21])-[C:22])=[O:23].[C:10](-[C:11]-[C:12]=[C:13])(-[C:14])=[O:15]	1	1085
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10]>>[C:1]-[I:11].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:2]-[C:10]	2	1086,1087
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10]>>[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:18]-[C:19](-[O:20]-[C:21](-[C:22])(-[C:23])-[C:24])=[O:25].[C:1]-[N:2](-[C:10])-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	1	1088
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6])-[C:7]>>[O:5]-[C:6].[C:1]-[N:2]-[C:7].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:17]:[c:16]:1)-[Cl:18]	1	1089
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]):[n:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[C:9](-[Cl:10])(-[Cl:11])-[Cl:12]	1	1090
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]):[s:7])-[c:8]>>[C:1]-[N:2]-[c:8].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:9]-[C:10]	1	1091
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:10]-[C:11]	1	1092
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8])-[C:9]>>[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:10]-[C:11]-[C:12].[C:1]-[N:2]-[C:9]	1	1093
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[n:6]):[c:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:9]-[C:10]-[C:11]	1	1094
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[n:6]):[c:7])-[C:8]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:9]-[C:10]-[C:11].[C:1]-[N:2]-[C:8]	1	1095
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:3](=[O:4])(-[c:5])-[Cl:14]	1	1096
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:3](=[O:4])(-[c:5])-[O:14]	1	1097
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[c:5])-[O:7]-[C:8]	2	1098,1099
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[c:5])-[O:7]-[C:8]-[C:9]	3	1100,1101,1102
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:3](=[O:4])(-[c:5])-[O:14].[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1103
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:3](=[O:4])(-[c:5])-[O:17].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	1	1104
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1)-[C:10]>>[C:1]-[N:2]-[C:10].[C:3](=[O:4])(-[C:12](-[Cl:11])(-[Cl:13])-[Cl:14])-[Cl:15].[c:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1	1	1105
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5]:1:[n:6]:[o:7]:[c:8](-[C:9]):[n:10]:1)-[C:11]>>[C:1]-[N:2]-[C:11].[C:3](=[O:4])(-[C:5](=[N:6]-[O:7]-[C:8](-[C:9])=[O:15])-[N:10])-[O:12]-[C:14]-[C:13]	1	1106
+[C:1]-[N:2](-[C:3])-[C:4](-[C:5])-[C:6]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(-[C:6])-[O:7]	1	1107
+[C:1]-[N:2](-[C:3])-[C:4](-[C:5])=[O:6]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(=[O:6])-[O:7]-[C:8]	1	1108
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]=[C:7]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6]=[C:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1109
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6])-[O:7]-[C:8]-[C:9]	5	1110,1111,1112,1113,1114
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:4](=[O:5])(-[C:6])-[Cl:14].[C:1]-[N:2](-[C:3])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	1115
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:4](=[O:5])(-[C:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11].[C:1]-[N:2]-[C:3]	1	1116
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[C:1]-[N:2]-[C:3].[N:6](-[C:7])-[C:8].[C:4](=[O:5])(-[O:16]-[c:15]:1:[c:14]:[c:13]:[c:12](-[N+:10](=[O:9])-[O-:11]):[c:18]:[c:17]:1)-[Cl:19]	1	1117
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[N:6](-[c:7](:[n:8]):[c:9])-[C:11](=[O:10])-[O:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)-[O:19]-[c:20]:2:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:2	1	1118
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[s:9]>>[N:6]-[c:7](:[n:8]):[s:9].[C:4](=[O:5])(-[Cl:10])-[Cl:11].[C:1]-[N:2]-[C:3]	1	1119
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]-[c:7]:1:[n:8]:[n:9]:[c:10](-[C:11]):[s:12]:1>>[C:10](-[C:11])(=[O:15])-[O:16].[C:4](=[O:5])(-[Cl:13])-[Cl:14].[N:6]-[C:7](-[N:8]-[N:9])=[S:12].[C:1]-[N:2]-[C:3]	1	1120
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[C:1](-[O:21]-[C:20]-[C:19])(=[O:22])-[Cl:23].[N:2]-[C:3]	1	1121
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:15]-[C:16](-[O:17]-[C:18](-[C:19])(-[C:20])-[C:21])=[O:22].[C:1](-[N:2]-[C:3])(-[O:11]-[C:12]-[C:13])=[O:14]	1	1122
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[N:2]-[C:3].[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[C:1]-[I:11]	1	1123
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]):[n:8]>>[C:4](-[O:5]-[C:9]-[C:10])(-[c:6](:[c:7]):[n:8])-[O:11]-[C:12]-[C:13].[C:1]-[N:2]-[C:3]	1	1124
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]):[n:8]>>[C:4](=[O:5])-[c:6](:[c:7]):[n:8].[C:1]-[N:2]-[C:3]	1	1125
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]:[s:8]):[n:9]>>[C:4](=[O:5])(-[c:6](:[c:7]:[s:8]):[n:9])-[O:10]-[C:11]-[C:12].[C:1]-[N:2]-[C:3]	1	1126
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[n:7]):[c:8]>>[C:4](=[O:5])(-[c:6](:[n:7]):[c:8])-[O:9]-[C:10].[C:1]-[N:2]-[C:3]	1	1127
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[n:7]):[c:9]:[n:8]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6](:[n:7]):[c:9]:[n:8])-[O:10]-[C:11]	1	1128
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6])-[O:7]-[C:8]	1	1129
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]>>[C:1]-[N:2].[C:3]-[I:8].[C:4](=[O:5])(-[c:6])-[O:7]	1	1130
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[N:7](-[C:8])-[c:9]>>[C:4](-[C:5](=[O:6])-[Cl:11])-[Cl:10].[C:1]-[N:2]-[C:3].[N:7](-[C:8])-[c:9]	1	1131
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[C:4](-[C:5](=[O:6])-[Cl:10])-[Cl:9].[C:1]-[N:2]-[C:3].[N+:7](-[c:8])(=[O:11])-[O-:12]	1	1132
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[C:4](-[C:5](=[O:6])-[Cl:10])-[Cl:9].[C:1]-[N:2]-[C:3].[N:7]-[c:8]	1	1133
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[N:7]-[c:8].[C:4](-[C:5](=[O:6])-[Cl:10])-[Cl:9].[C:1]-[N:2]-[C:3]	1	1134
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(=[O:6])-[O:7]-[C:8]	1	1135
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(=[O:6])-[O:7]-[C:8]-[C:9]	1	1136
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])-[O:6]	7	1137,1138,1139,1140,1141,1142,1143
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:4](-[C:5])(=[O:6])-[O:7].[C:1]-[N:2]-[C:3]	2	1144,1145
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:4](-[C:5])-[O:6].[C:1]-[N:2]-[C:3]	1	1146
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[c:6]):[n:7]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[c:6]):[n:7])(=[O:8])-[O:9]	1	1147
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2]-[C:3].[C:4]-[c:5](:[n:6]):[c:7]	1	1148
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[n:6]):[n:7]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[n:6]):[n:7])-[O:8]	1	1149
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]:[c:7]:[n:6]>>[C:1]-[N:2](-[C:3])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:4](-[c:5]:[c:7]:[n:6])=[O:15]	1	1150
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5])(=[O:6])-[O:7]	1	1151
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5])-[O:6]	2	1152,1153
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]-[I:5].[N:2](-[C:3])(-[C:4])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	2	1154,1155
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]-[O:5].[N:2](-[C:3])(-[C:4])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	1156
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]=[O:5].[N:2](-[C:3])(-[C:4])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	3	1157,1158,1159
+[C:1]-[N:2](-[C:3])-[C:5](-[O:4])=[O:6]>>[O:4]-[C:5](=[O:6])-[Cl:14].[C:1]-[N:2](-[C:3])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	1160
+[C:1]-[N:2](-[C:3])-[C:5]-[C:4]>>[C:4]-[C:5](=[O:6])-[O:7].[C:1]-[N:2]-[C:3]	1	1161
+[C:1]-[N:2](-[C:3])-[C:6](=[N:5]-[c:4])-[N:7]>>[C:6](#[N:7])-[Br:10].[C:1]-[N:2]-[C:3].[c:4]-[N+:5](=[O:8])-[O-:9]	1	1162
+[C:1]-[N:2](-[C:3])-[C:7](-[c:6](:[n:4]):[c:5])=[O:8]>>[C:1]-[N:2]-[C:3].[n:4]:[c:6](:[c:5])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	1163
+[C:1]-[N:2](-[C:3])-[S:4](=[O:5])(=[O:6])-[c:7]>>[C:1]-[N:2].[C:3]-[I:9].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:8]	1	1164
+[C:1]-[N:2](-[C:3])-[c:4]:1:[c:5]:[c:6]:[n:7]:[n:8]:1>>[C:1]-[N:2]-[C:3].[c:4]:1:[c:5]:[c:6]:[n:7]:[n:8]:1	1	1165
+[C:1]-[N:2](-[C:3]-[C:4](=[C:5](-[Cl:6])-[C:7])-[N:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3]-[C:4](=[C:5](-[Cl:6])-[C:7])-[N:8]	1	1166
+[C:1]-[N:2](-[C:3]-[C:4](=[O:5])-[N:6]-[c:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[C:4](=[O:5])-[Cl:10])-[Cl:9].[N:6]-[c:7]	1	1167
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])=[O:9].[C:1]-[N:2].[C:3](-[C:4])-[Br:8]	1	1168
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[C:4])-[Br:13]	2	1169,1170
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[C:4])=[O:13]	2	1171,1172
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8]-[C:9])=[O:10].[C:3](-[C:4])-[Cl:11]	1	1173
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(-[O:6])-[C:7]-[O:8]	1	1174
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(-[O:6]-[C:7])-[O:8]-[C:9]	2	1175,1176
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(-[O:6]-[C:7]-[C:8])-[O:9]-[C:10]-[C:11]	1	1177
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(=[O:6])-[O:7]	5	1178,1179,1180,1181,1182
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])-[Cl:6]	1	1183
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])-[O:6]	15	1184,1185,1186,1187,1188,1189,1190,1191,1192,1193,1194,1195,1196,1197,1198
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])=[C:6]	2	1199,1200
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])(-[O:6]-[C:7]-[C:8])-[O:9]-[C:10]-[C:11].[C:1]-[N:2]-[C:5]	1	1201
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:13].[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	4	1202,1203,1204,1205
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:13].[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]	1	1206
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:16].[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1207
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:9].[C:1]-[N:2](-[C:5])-[C:6]-[C:7]=[C:8]	1	1208
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Cl:13].[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	4	1209,1210,1211,1212
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[I:13].[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	1213
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[I:16].[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1214
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[O:6]-[Si:7](-[C:8](-[C:9])(-[C:10])-[C:11])(-[C:12])-[C:13].[C:1]-[N:2]-[C:5]	1	1215
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[O:6].[C:1]-[N:2]-[C:5]	4	1216,1217,1218,1219
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])=[O:13].[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]	1	1220
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])=[O:16].[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1221
+[C:1]-[N:2](-[C:3]-[C:4])-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:1]-[N:2].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:9].[C:3](-[C:4])-[Br:10]	1	1222
+[C:1]-[N:2](-[C:3]-[C:4])-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:3](-[C:4])-[Br:10].[C:1]-[N:2].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:9]	1	1223
+[C:1]-[N:2](-[C:3]-[C:4])-[c:5]>>[C:1]-[I:7].[N:2](-[C:3](-[C:4])=[O:6])-[c:5]	1	1224
+[C:1]-[N:2](-[C:3]-[C:4])-[c:5]>>[C:1]=[O:6].[N:2](-[C:3](-[C:4])=[O:7])-[c:5]	1	1225
+[C:1]-[N:2](-[C:3]-[C:4]-[N:5])-[c:6]>>[C:1]-[N:2]-[c:6].[C:3](-[C:4](-[N:5])=[O:7])-[I:8]	1	1226
+[C:1]-[N:2](-[C:3]-[C:4]-[O:5])-[C:6]>>[C:3]-1-[C:4]-[O:5]-1.[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1227
+[C:1]-[N:2](-[C:3]-[C:4]=[C:5])-[C:6]>>[C:1]=[O:7].[N:2](-[C:3]-[C:4]=[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	1228
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]):[n:6])-[C:7](=[O:8])-[C:9]=[C:10]>>[C:1]-[N:2]-[C:3](-[c:4](:[c:5]):[n:6])=[O:11].[C:7](=[O:8])(-[C:9]=[C:10])-[O:12]	1	1229
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]):[n:6])-[C:7](=[O:8])-[C:9]=[C:10]>>[C:7](=[O:8])(-[C:9]=[C:10])-[O:12].[C:1]-[N:2]-[C:3](-[c:4](:[c:5]):[n:6])=[O:11]	1	1230
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]):[s:6])-[C:7]-[C:8]>>[C:1]-[N:2].[C:7](-[C:8])-[Cl:9].[C:3](-[c:4](:[c:5]):[s:6])-[Cl:10]	1	1231
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]):[s:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:3](-[c:4](:[c:5]):[s:6])=[O:15]	1	1232
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]:[n:6]):[n:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[c:4](:[c:5]:[n:6]):[n:7])-[O:9]	1	1233
+[C:1]-[N:2](-[C:3]-[c:4](:[n:5]):[c:6])-[C:7](=[O:8])-[C:9]>>[C:1]-[N:2].[C:7](=[O:8])(-[C:9])-[O:11].[C:3](-[c:4](:[n:5]):[c:6])=[O:10]	1	1234
+[C:1]-[N:2](-[C:3]-[c:4](:[n:5]):[c:6])-[C:7]>>[C:3]-[c:4](:[n:5]):[c:6].[C:1]-[N:2]-[C:7]	1	1235
+[C:1]-[N:2](-[C:3]-[c:4](:[n:5]):[n:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:3](-[c:4](:[n:5]):[n:6])=[O:15]	1	1236
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[C:7]>>[C:1]-[N:2]-[C:5](=[O:6])-[C:7].[C:3]-[c:4]	1	1237
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[C:7]>>[C:3](-[c:4])=[O:8].[C:1]-[N:2].[C:5](=[O:6])(-[C:7])-[O:9]	1	1238
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:3](-[c:4])-[Br:12].[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[N:2]	1	1239
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:3](-[c:4])=[O:12].[C:1]-[N:2].[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20]	1	1240
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[N:2].[C:3](-[c:4])=[O:12]	2	1241,1242
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]>>[C:1]-[N:2].[C:3](-[c:4])=[O:8].[C:5](=[O:6])(-[O:7])-[Cl:9]	1	1243
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[c:7]>>[C:1]-[N:2].[C:3](-[c:4])=[O:8].[C:5](=[O:6])(-[c:7])-[O:9]	1	1244
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]-[C:6]-[O:7]>>[C:1]-[N:2].[C:5]-1-[C:6]-[O:7]-1.[C:3](-[c:4])=[O:8]	1	1245
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[c:4])-[Br:13]	3	1246,1247,1248
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[c:4])-[Cl:13]	1	1249
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[c:4])=[O:13]	5	1250,1251,1252,1253,1254
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[C:3](-[c:4])-[Cl:16]	1	1255
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[C:3](-[c:4])=[O:16]	1	1256
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[C:3](-[c:4])=[O:13]	2	1257,1258
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])(-[O:6])=[O:7]	1	1259
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])(-[O:6]-[C:7])-[O:8]-[C:9]	1	1260
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])-[O:6]	2	1261,1262
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])=[O:6]	1	1263
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3]-[c:4]	2	1264,1265
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:3](-[c:4])=[O:13].[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	1266
+[C:1]-[N:2](-[C:3]-[c:4])-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:1]-[N:2].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:9].[C:3](-[c:4])-[Br:10]	1	1267
+[C:1]-[N:2](-[C:3]-[c:4])-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:3](-[c:4])=[O:9].[C:1]-[N:2].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:10]	2	1268,1269
+[C:1]-[N:2](-[C:3]-[c:4])-[c:5]>>[C:1]-[N:2]-[c:5].[C:3](-[c:4])-[O:6]	1	1270
+[C:1]-[N:2](-[C:3]-[c:4]:1:[c:5]:[c:6](:[c:7](:[s:8]:1):[c:9]):[n:10])-[C:11]>>[c:4]:1:[c:5]:[c:6](:[c:7](:[s:8]:1):[c:9]):[n:10].[C:1]-[N:2]-[C:11].[C:3](=[O:12])-[N:13](-[C:14])-[C:15]	2	1271,1272
+[C:1]-[N:2](-[C:3]-[c:4]:1:[c:5]:[c:6](:[c:7](:[s:8]:1):[c:9]):[n:10])-[C:11]>>[c:4]:1:[c:5]:[c:6](:[c:7](:[s:8]:1):[c:9]):[n:10].[C:3](=[O:12])-[N:13](-[C:14])-[C:15].[C:1]-[N:2]-[C:11]	1	1273
+[C:1]-[N:2](-[C:3]-[c:4]:[c:5]:[n:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[C:7](=[O:8])(-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])-[O:15]-[C:16](-[O:17]-[C:18](-[C:19])(-[C:20])-[C:21])=[O:22].[C:1]-[N:2].[C:3](-[c:4]:[c:5]:[n:6])=[O:14]	2	1274,1275
+[C:1]-[N:2](-[C:3]-[c:4]:[c:5]:[n:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[C:3](-[c:4]:[c:5]:[n:6])=[O:15]	1	1276
+[C:1]-[N:2](-[C:3]-[c:4]:[c:5]:[n:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3]-[c:4]:[c:5]:[n:6]	1	1277
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[C:1]-[N:2].[C:7](=[O:8])(-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])-[O:15]-[C:16](-[O:17]-[C:18](-[C:19])(-[C:20])-[C:21])=[O:22].[C:3](-[c:4]:[c:6]:[n:5])=[O:14]	1	1278
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](-[c:4]:[c:6]:[n:5])-[O:8]-[C:9]	1	1279
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3]-[c:4]:[c:6]:[n:5]	1	1280
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7]>>[C:3](-[c:4]:[c:6]:[n:5])=[O:15].[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	1281
+[C:1]-[N:2](-[N:3])-[C:8](-[N:4]-[c:5](:[n:6]):[s:7])=[O:9]>>[C:1]-[N:2]-[N:3].[C:8](=[O:9])(-[Cl:10])-[Cl:11].[N:4]-[c:5](:[n:6]):[s:7]	1	1282
+[C:1]-[N:2](-[O:3])-[C:4](=[O:5])-[c:6](:[n:7]):[c:8]>>[C:1]-[N:2]-[O:3].[C:4](=[O:5])(-[c:6](:[n:7]):[c:8])-[O:9]-[C:10]-[C:11]	1	1283
+[C:1]-[N:2](-[S:3](-[C:4])(=[O:5])=[O:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:15]	1	1284
+[C:1]-[N:2](-[S:3](-[C:4])(=[O:5])=[O:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:15]	2	1285,1286
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[C:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[S:3](=[O:4])(=[O:5])(-[C:6])-[Cl:15]	1	1287
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6](:[n:7]):[c:8])-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](=[O:11])-[O:12]-[C:13]-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1.[S:3](=[O:4])(=[O:5])(-[c:6](:[n:7]):[c:8])-[Cl:20]	2	1288,1289
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:15]	1	1290
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:15]	1	1291
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9]:[s:10]:1)-[C:11]>>[C:1]-[N:2]-[C:11].[S:3](=[O:4])(-[O:5])(-[Cl:12])=[O:13].[c:6]:1:[c:7]:[c:8]:[c:9]:[s:10]:1	1	1292
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6]:[c:8]:[n:7])-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[S:3](=[O:4])(=[O:5])(-[c:6]:[c:8]:[n:7])-[Cl:17]	1	1293
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:3](:[c:4])(:[c:5])-[F:14]	1	1294
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:3](:[c:4])(:[c:5])-[O:14]-[S:15](=[O:16])(=[O:17])-[C:18](-[F:19])(-[F:20])-[F:21]	1	1295
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1.[c:3](:[c:4])(:[c:5])-[Br:17]	1	1296
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[c:3](:[c:4])(:[c:5])-[F:14].[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1297
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[c:3](:[c:4])(:[c:5])-[F:14].[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	2	1298,1299
+[C:1]-[N:2](-[c:3](:[c:4]):[n:6]:[n:5])-[C:7]>>[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:15].[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	2	1300,1301
+[C:1]-[N:2](-[c:3](:[c:4]):[n:7]:[c:6]:[c:5])-[C:8]>>[C:1]-[N:2](-[C:8])-[C:9](=[O:10])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1.[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:19]	1	1302
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5](:[c:6]):[c:7]):[c:8])-[C:9]>>[C:1]-[N:2]-[C:9].[c:3](:[n:4]:[c:5](:[c:6]):[c:7])(:[c:8])-[O:10]	1	1303
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5]):[n:7]:[c:6])-[C:8]>>[C:1]-[N:2](-[C:8])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:16]	1	1304
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])-[C:8]>>[C:1]-[N:2](-[C:8])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:16]	1	1305
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])-[C:8]>>[C:1]-[N:2]-[C:8].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[O:9]	2	1306,1307
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])-[C:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:19].[C:1]-[N:2](-[C:8])-[C:9](=[O:10])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1	1	1308
+[C:1]-[N:2](-[c:3])-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[I:8].[N:2]-[c:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:9]	1	1309
+[C:1]-[N:2](-[c:3])-[S:4](-[C:5])(=[O:6])=[O:7]>>[N:2]-[c:3].[C:1]-[I:8].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:9]	1	1310
+[C:1]-[N:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2]-[C:9].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:10]	1	1311
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[c:8]:[n:9]:1)-[C:10]>>[C:1]-[N:2]-[C:10].[c:3]:1(:[n:4]:[c:5](:[c:6]):[c:7]:[c:8]:[n:9]:1)-[O:11]	1	1312
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:17]	1	1313
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](=[O:11])-[O:12]-[C:13]-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1.[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:20]	1	1314
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:17]	1	1315
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1.[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:17]	1	1316
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:17].[C:1]-[N:2](-[C:9])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16]	1	1317
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[c:9]>>[C:1]-[I:10].[N:2]-[c:9].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	1	1318
+[C:1]-[N:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[s:7]:1)-[C:8]>>[c:3]:1(:[n:4]:[n:5]:[c:6]:[s:7]:1)-[Br:16].[C:1]-[N:2](-[C:8])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15]	1	1319
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5](-[c:6])-[C:7](=[O:8])-[C:9]=[C:10]-1-[C:11]>>[C:1]-[I:12].[N:2]-[C:10](=[C:9]-[C:7](=[O:8])-[O:13]-[C:14]-[C:15])-[C:11].[C:3](=[O:4])(-[N:5]-[c:6])-[O:16]-[C:17]-[C:18]	1	1320
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[c:6]:[c:7]-1>>[C:1]-[N:2]-[c:7]:[c:6]-[N+:5](=[O:8])-[O-:9].[C:3](=[O:4])(-[O:10]-[C:11](-[Cl:12])(-[Cl:13])-[Cl:14])-[O:15]-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19]	1	1321
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[c:6]:[c:7]-1>>[C:1]-[N:2]-[c:7]:[c:6]-[N+:5](=[O:8])-[O-:9].[C:3](=[O:4])(-[n:10]:1:[c:11]:[c:12]:[n:13]:[c:14]:1)-[n:15]:2:[c:16]:[c:17]:[n:18]:[c:19]:2	3	1322,1323,1324
+[C:1]-[N:2]-1-[C:3]-[C:4]-[N:5]-[C:6]-[c:7](:[c:8]-1):[c:9]>>[C:6]=[O:10].[C:1]-[N:2]-[c:8]:[c:7]:[c:9].[C:3](-[C:4](-[N:5])=[O:11])-[I:12]	1	1325
+[C:1]-[N:2]-1-[C:3]-[c:4](:[c:5]-[C:8]-1=[O:9]):[c:7]:[n:6]>>[C:3]-[c:4](:[c:5]-[C:8](=[O:9])-[O:12]-[C:11]-[C:10]):[c:7]:[n:6].[C:1]-[N:2]	2	1326,1327
+[C:1]-[N:2]-1-[C:3]-[c:4](:[n:5]):[c:6]-[C:7]-1=[O:8]>>[C:1]-[N:2].[C:3]-[c:4](:[n:5]):[c:6]-[C:7](=[O:8])-[O:10]-[C:9]	1	1328
+[C:1]-[N:2]-1-[C:3]-[c:4]:[c:5]-[C:6]-1=[O:7]>>[C:1]-[N:2].[C:3]-[c:4]:[c:5]-[C:6](=[O:7])-[O:9]-[C:8]	1	1329
+[C:1]-[N:2]-1-[C:3]-[c:4]:[c:5]-[C:6]-1=[O:7]>>[C:3]-[c:4]:[c:5]-[C:6](=[O:7])-[O:9]-[C:8].[C:1]-[N:2]	4	1330,1331,1332,1333
+[C:1]-[N:2]-1-[N:3]-[C:4]-[N:5](-[c:6](:[n:7]):[s:8])-[C:9]-1=[O:10]>>[C:4]=[O:11].[C:1]-[N:2]-[N:3].[N:5](-[c:6](:[n:7]):[s:8])=[C:9]=[O:10]	1	1334
+[C:1]-[N:2]-1-[N:3]-[C:4]-[N:5](-[c:6](:[n:7]):[s:8])-[C:9]-1=[O:10]>>[C:4]=[O:13].[C:1]-[N:2]-[N:3].[C:9](=[O:10])(-[Cl:11])-[Cl:12].[N:5]-[c:6](:[n:7]):[s:8]	1	1335
+[C:1]-[N:2]-1-[N:3]-[C:4]-[N:5](-[c:6](:[n:7]):[s:8])-[C:9]-1=[O:10]>>[N:5](-[c:6](:[n:7]):[s:8])=[C:9]=[O:10].[C:4]=[O:11].[C:1]-[N:2]-[N:3]	1	1336
+[C:1]-[N:2]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]>>[C:5]-[C:6](-[C:7])(-[C:8])-[O:9]-[C:10](=[O:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[N:2]-[C:3](-[C:4])=[O:12]	1	1337
+[C:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:13].[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	1338
+[C:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:13].[C:1]-[N:2]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]	2	1339,1340
+[C:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3]-1(-[C:4])(-[C:5])-[O:6]-[C:7]-[C:8]-[O:9]-1.[C:1]-[N:2]	1	1341
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N+:2](=[O:6])-[O-:7].[C:3](-[C:4])(=[O:5])-[O:8]	1	1342
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N:2]-1-[C:6](-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14])=[O:15].[C:3](-[C:4])(=[O:5])-[Cl:16]	1	1343
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[C:4])(=[O:5])-[Cl:13]	1	1344
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N:2].[C:3](-[C:4])(=[O:5])-[O:6]-[C:7]-[C:8]	1	1345
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N:2].[O:5].[C:3](-[C:4])#[N:6]	1	1346
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[Cl:8].[C:1]-[N:2]=[N+:6]=[N-:7]	1	1347
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[O:16]-[C:17](-[C:18])=[O:19].[C:1]-[N:2]-1-[C:6](-[c:7]:2:[c:8](-[C:9]-1=[O:10]):[c:11]:[c:12]:[c:13]:[c:14]:2)=[O:15]	1	1348
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[O:6]-[C:7]-[C:8]-[C:9]-[C:10].[C:1]-[N:2]	1	1349
+[C:1]-[N:2]-[C:3](-[N:4](-[C:5])-[C:6])=[S:8]>>[C:1]-[N:2]=[C:3]=[S:8].[N:4](-[C:5])(-[C:6])-[C:7](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	1350
+[C:1]-[N:2]-[C:3](-[c:4])=[O:5]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]-[C:7]	1	1351
+[C:1]-[N:2]-[C:3](-[c:4])=[O:5]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	1352
+[C:1]-[N:2]-[C:3](=[C:4]-[N+:5])-[N:6]-[C:7]>>[N:6]-[C:7].[C:3](=[C:4]-[N+:5])(-[S:9]-[C:8])-[S:10]-[C:11].[C:1]-[N:2]	1	1353
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5](-[F:6])(-[F:7])-[F:8]>>[C:3](=[O:4])(-[C:5](-[F:6])(-[F:7])-[F:8])-[O:11]-[C:12](=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[C:1]-[N+:2](=[O:9])-[O-:10]	1	1354
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6](-[C:7](=[O:8])-[N:9]-[c:10])-[C:11])-[C:12]>>[N:9]-[c:10].[C:3]-1(=[O:4])-[C:5](=[C:6](-[C:7](=[O:8])-[O:13]-1)-[C:11])-[C:12].[C:1]-[N:2]	1	1355
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]-1=[C:6](-[O:7])-[c:8](:[n:9]):[c:10]-[N:11]-[C:12]-1=[O:13]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5]-[C:12](-[N:11]-[c:10]:[c:8](-[C:6](=[O:7])-[O:17]-[C:18]-[C:19]):[n:9])=[O:13])-[O:16]-[C:15]-[C:14]	1	1356
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]-[N:6](-[C:7])-[C:8]>>[C:3](=[O:4])(-[C:5]-[Cl:9])-[Cl:10].[N:6](-[C:7])-[C:8].[C:1]-[N:2]	1	1357
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[C:3](=[O:4])(-[C:5]=[C:6])-[O:7]-[C:8].[C:1]-[N:2]	1	1358
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2]-1-[C:6](-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14])=[O:15].[C:3](=[O:4])(-[C:5])-[Cl:16]	1	1359
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](=[O:4])(-[C:5])-[O:13]	3	1360,1361,1362
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]	1	1363
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]	3	1364,1365,1366
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]	2	1367,1368
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8]	7	1369,1370,1371,1372,1373,1374,1375
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:13].[C:1]-[N:2]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]	1	1376
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:8].[C:1]-[N:2]=[N+:6]=[N-:7]	1	1377
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:13].[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	1378
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:16].[C:1]-[N:2]-1-[C:6](-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14])=[O:15]	1	1379
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:16].[C:1]-[N:2]-1-[C:6](=[O:7])-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2-[C:14]-1=[O:15]	1	1380
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[C:1]-[N:2]	2	1381,1382
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8]-[C:9]-[C:10].[C:1]-[N:2]	1	1383
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8].[C:1]-[N:2]	2	1384,1385
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:1]-[N:2]	1	1386
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7].[C:1]-[N:2]	4	1387,1388,1389,1390
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6].[C:1]-[N:2]	2	1391,1392
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:8].[C:1]-[N:2]=[N+:6]=[N-:7]	2	1393,1394
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5](-[C:6])(-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	1395
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5](-[C:6])(-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	1396
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-1(-[C:6])-[C:7](-[c:8]:2:[c:9](-[C:10]-1=[O:11]):[c:12]:[c:13]:[c:14]:[c:15]:2)=[O:16].[C:1]-[N:2]=[C:3]=[O:4]	1	1397
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[s:8]>>[N:5]-[c:6](:[n:7]):[s:8].[C:1]-[N:2].[C:3](=[O:4])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	1398
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]:[c:7]:[n:8]>>[C:1]-[N:2].[N:5]-[c:6]:[c:7]:[n:8].[C:3](=[O:4])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	1399
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]-[N:2].[C:3](=[O:4])(-[O:7]-[C:8](-[Cl:9])(-[Cl:10])-[Cl:11])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16].[N+:5](-[c:6])(=[O:17])-[O-:18]	1	1400
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]-[N:2]=[C:3]=[O:4].[N+:5](-[c:6])(=[O:7])-[O-:8]	4	1401,1402,1403,1404
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]-[N:2]=[N+:7]=[N-:8].[C:3](=[O:4])=[N:5]-[c:6]	1	1405
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[C:1]-[N:2]-[S:10](-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:16]-[C:17](-[O:18]-[C:19](-[C:20])(-[C:21])-[C:22])=[O:23]	1	1406
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[C:1]-[N:2]=[N+:10]=[N-:11]	2	1407,1408
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]>>[C:1]-[N:2]=[N+:6]=[N-:7].[C:3](=[O:4])(-[O:5])-[Cl:8]	2	1409,1410
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:8]-[C:9]-[C:10]	1	1411
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:15].[C:1]-[N:2]-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	1412
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:8]-[C:9]-[C:10].[C:1]-[N:2]	1	1413
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:8]-[C:9]-[C:10].[C:1]-[N:2]	1	1414
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[c:9]:[n:8]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[c:9]:[n:8])-[O:10]-[C:11]-[C:12]	1	1415
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:9]-[C:10]-[C:11]	1	1416
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[s:8]>>[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[s:8])-[O:9]-[C:10]-[C:11].[C:1]-[N:2]	1	1417
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2]-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:15]	2	1418,1419
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:8]-[C:9]-[C:10]	1	1420
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:8]-[C:9]-[C:10].[C:1]-[N:2]	1	1421
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6](:[n:7]):[n:8]:[n:9]:[c:10]:1>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:1:[c:6](:[n:7]):[n:8]:[n:9]:[c:10]:1)-[O:11]-[C:12]-[C:13]	1	1422
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1>>[C:3](=[O:4])(-[C:13](-[F:10])(-[F:11])-[F:12])-[O:14]-[C:15](-[C:16](-[F:17])(-[F:18])-[F:19])=[O:20].[C:1]-[N:2].[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1	1	1423
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[O:10]	1	1424
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[O:10]-[C:11]-[C:12]	1	1425
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]-[N:7]-[C:8](=[O:9])-[c:10](:[c:11]):[n:12]>>[C:8](-[c:10](:[c:11]):[n:12])(=[O:13])-[O:14].[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:[c:6]-[N:7])-[O:9]	1	1426
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9]	2	1427,1428
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9]-[C:10]	1	1429
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[C:8](-[F:9])(-[F:10])-[F:11].[C:1]-[N:2]	1	1430
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9]-[C:10].[C:1]-[N:2]	5	1431,1432,1433,1434,1435
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9].[C:1]-[N:2]	3	1436,1437,1438
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[o:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:[c:6]:[o:7])-[O:8]-[C:9]	2	1439,1440
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:7]:[n:6]>>[C:3](=[O:4])(-[c:5]:[c:7]:[n:6])-[O:8]-[C:9].[C:1]-[N:2]	1	1441
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[c:5])-[O:8]	1	1442
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](=[O:4])(-[c:5])-[Cl:13]	1	1443
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]	6	1444,1445,1446,1447,1448,1449
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7]	8	1450,1451,1452,1453,1454,1455,1456,1457
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]	1	1458
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7]-[C:8]	3	1459,1460,1461
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[O:4].[C:3](-[c:5])#[N:6]	2	1462,1463
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2]=[N+:6]=[N-:7].[C:3](=[O:4])(-[c:5])-[Cl:8]	3	1464,1465,1466
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[Cl:13].[C:1]-[N:2]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	1467
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:16].[C:1]-[N:2]-1-[C:6](=[O:7])-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2-[C:14]-1=[O:15]	1	1468
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6]-[C:7].[C:1]-[N:2]	7	1469,1470,1471,1472,1473,1474,1475
+[C:1]-[N:2]-[C:3](=[O:4])-[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[c:9]>>[C:1]-[N:2].[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[c:9].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11]:[c:17]:[c:16]:1)-[Cl:18]	2	1476,1477
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[N:2]=[C:3]=[S:4].[N:5](-[C:6])(-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	1478
+[C:1]-[N:2]-[C:3]-1=[C:4](-[N:5])-[C:6](=[O:7])-[C:8]-1=[O:9]>>[C:1]-[N:2]=[N+:10]=[N-:11].[C:3]-1(=[C:4](-[N:5])-[C:6](=[O:7])-[C:8]-1=[O:9])-[O:12]-[C:13]-[C:14]	1	1479
+[C:1]-[N:2]-[C:3]-[C:4](-[C:5])-[C:6]>>[C:1]-[N:2].[C:3](=[C:4](-[C:5])-[C:6])-[O:7]-[C:8]	1	1480
+[C:1]-[N:2]-[C:3]-[C:4](-[O:5])-[c:6]>>[C:1]-[N:2].[C:3](-[C:4](=[O:5])-[c:6])-[Cl:7]	1	1481
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])(-[O:5])=[O:6]	1	1482
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])(=[O:5])-[O:6]	2	1483,1484
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])(=[O:5])-[O:6]-[C:7]-[C:8]	2	1485,1486
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])-[O:5]	8	1487,1488,1489,1490,1491,1492,1493,1494
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])-[O:5]-[Si:6](-[C:7](-[C:8])(-[C:9])-[C:10])(-[C:11])-[C:12]	1	1495
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2]=[N+:5]=[N-:6].[C:3](-[C:4])=[O:7]	1	1496
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[C:1]-[N:2]	2	1497,1498
+[C:1]-[N:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:1]-[N:2]-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:3](-[c:4](:[n:5]):[c:6])=[O:14]	1	1499
+[C:1]-[N:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:1]-[N:2].[C:3](-[c:4](:[n:5]):[c:6])-[O:7]	2	1500,1501
+[C:1]-[N:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])(=[O:7])-[O:8]-[C:9].[C:1]-[N:2]	1	1502
+[C:1]-[N:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:1]-[N:2].[C:3](-[c:4]:[c:5]:[n:6])(=[O:7])-[O:8]-[C:9]	1	1503
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2]-[C:5](-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])=[O:11].[C:3](-[c:4])=[O:12]	2	1504,1505
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(-[O:5]-[C:6])-[O:7]-[C:8]	1	1506
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[Cl:6]	1	1507
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]	1	1508
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]-[C:7]	1	1509
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]-[C:7]-[C:8]	1	1510
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])-[O:5]	2	1511,1512
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3]-[c:4]	1	1513
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:3]-[c:4].[C:1]-[N:2]	1	1514
+[C:1]-[N:2]-[C:3]=[O:4]>>[C:3](=[O:4])-[O:7].[C:1]-[N+:2](=[O:5])-[O-:6]	1	1515
+[C:1]-[N:2]-[C:3]>>[C:1](-[O:6]-[C:5]-[C:4])(=[O:7])-[Cl:8].[N:2]-[C:3]	1	1516
+[C:1]-[N:2]-[C:3]>>[C:1](=[O:4])-[O:5]-[C:6]-[C:7].[N:2]-[C:3]	1	1517
+[C:1]-[N:2]-[C:3]>>[C:1]-1-[O:4]-[C:5]-[C:6]-[C:7]-1.[N+:2](-[C:3])(=[O:8])-[O-:9]	1	1518
+[C:1]-[N:2]-[C:3]>>[C:1]-[I:11].[N:2](-[C:3])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]	1	1519
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:4]	1	1520
+[C:1]-[N:2]-[C:3]>>[N:2]-[C:3].[C:1]-[I:4]	1	1521
+[C:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[C:1]-[N:2]-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:14]	3	1522,1523,1524
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[C:6]>>[S:3](=[O:4])(=[O:5])(-[C:6])-[Cl:14].[C:1]-[N:2]-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1525
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[C:6]>>[S:3](=[O:4])(=[O:5])(-[C:6])-[Cl:17].[C:1]-[N:2]-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	1	1526
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[c:8]>>[C:1]-[N:2].[S:3](=[O:4])=[O:5].[c:6](:[c:7])(:[c:8])-[N:9]	1	1527
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[C:1]-[N:2]-1-[C:7](=[O:8])-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-[C:15]-1=[O:16].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:17]	1	1528
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:9].[C:1]-[N:2]=[N+:7]=[N-:8]	1	1529
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[S:3](=[O:4])(=[O:5])(-[c:6])-[O:7].[C:1]-[N:2]	1	1530
+[C:1]-[N:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[N:2]=[N+:6]=[N-:7].[c:3](:[c:4])(:[c:5])-[F:8]	2	1531,1532
+[C:1]-[N:2]-[c:3](:[c:4]):[n:6]:[n:5]>>[C:1]-[N:2].[c:3](:[c:4])(:[n:6]:[n:5])-[O:7]	1	1533
+[C:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[N:2]-1-[C:8](=[O:9])-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2-[C:16]-1=[O:17].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:18]	2	1534,1535
+[C:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[N:2].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[O:8]	1	1536
+[C:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[N:2]=[N+:8]=[N-:9].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[F:10]	1	1537
+[C:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:18].[C:1]-[N:2]-1-[C:8](=[O:9])-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2-[C:16]-1=[O:17]	1	1538
+[C:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:18].[C:1]-[N:2]-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	1	1539
+[C:1]-[N:2]-[c:3]:1:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1>>[C:1]-[N:2]-1-[C:11](=[O:12])-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2-[C:19]-1=[O:20].[c:3]:1(:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1)-[Cl:21]	1	1540
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	3	1541,1542,1543
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9].[C:1]-[N:2]	1	1544
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1>>[C:1]-[N:2]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1)-[Cl:16]	2	1545,1546
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5](-[c:6]):[c:7]:[s:8]:1>>[C:1]-[N:2].[C:3](#[N:4])-[S:8]-[C:7]-[C:5](-[c:6])=[O:9]	1	1547
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[C:1]-[N:2]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:16]	1	1548
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:10]-[C:9]	1	1549
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:11].[C:1]-[N:2]=[N+:9]=[N-:10]	1	1550
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:19](-[C:20])(=[O:21])=[O:22].[C:1]-[N:2]-1-[C:9](=[O:10])-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2-[C:17]-1=[O:18]	1	1551
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[s:9]>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[s:9])-[O:10]	1	1552
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:16]	3	1553,1554,1555
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:16]	1	1556
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	1	1557
+[C:1]-[N:2]-[c:3]>>[C:1]=[O:4].[N+:2](-[c:3])(=[O:5])-[O-:6]	2	1558,1559
+[C:1]-[N:2]=[C:3](-[C:4])-[c:5]>>[C:1]-[N:2].[C:3](-[C:4])(-[c:5])-[O:6]	1	1560
+[C:1]-[N:2]=[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])-[O:5]	1	1561
+[C:1]-[N:3](-[C:2])-[C:4](-[N:5]-[N:6])=[O:7]>>[C:4](=[O:7])(-[O:8]-[C:9](-[Cl:10])(-[Cl:11])-[Cl:12])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17].[C:1]-[N:3]-[C:2].[N:5]-[N:6]	1	1562
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[C:6]>>[C:4](-[O:5])(-[C:6])=[O:14].[C:1]-[N:3](-[C:2])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1563
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[C:1]-[N:3]-[C:2].[C:4](=[O:5])(-[O:16]-[c:15]:1:[c:14]:[c:13]:[c:12](-[N+:10](=[O:9])-[O-:11]):[c:18]:[c:17]:1)-[Cl:19]	1	1564
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[N:6]-[c:7]>>[C:4](=[O:5])=[N:6]-[c:7].[C:1]-[N:3](-[C:2])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	1	1565
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[c:6](:[c:7]:[s:8]):[n:9]>>[C:1]-[N:3](-[C:2])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[C:4](=[O:5])(-[c:6](:[c:7]:[s:8]):[n:9])-[O:17]	1	1566
+[C:1]-[N:3](-[C:2])-[C:4]-[C:5]>>[C:1]-[N:3]-[C:2].[C:4](-[C:5])-[O:6]	1	1567
+[C:1]-[N:3](-[C:2])-[C:4]-[c:5](:[c:6]):[c:7]>>[C:1]-[N:3]-[C:2].[C:4](=[O:8])-[N:9](-[C:10])-[C:11].[c:5](:[c:6])(:[c:7])-[Br:12]	1	1568
+[C:1]-[N:3](-[C:2])-[N:4]>>[C:1]-[N:3]-[C:2].[N:4](-[O:5])=[O:6]	1	1569
+[C:1]-[N:3](-[C:2])-[N:4]>>[C:1]-[N:3]-[C:2].[N:4](=[O:5])-[O:6]	1	1570
+[C:1]-[N:3](-[C:2])-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[N:3](-[C:2])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:18]	1	1571
+[C:1]-[N:3](-[C:2])-[S:4](=[O:5])(=[O:6])-[c:7]>>[C:1]-[N:3](-[C:2])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:15]	1	1572
+[C:1]-[N:5](-[C:3](-[C:2])=[O:4])-[C:6]-[c:7]>>[C:1]-[N:5]-[S:11](-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[C:2]-[C:3](=[O:4])-[O:10]-[C:9]-[C:8].[C:6](-[c:7])=[O:17]	1	1573
+[C:1]-[N:5]=[C:3](-[C:2])-[N:4]>>[C:1]-[N:5]-[C:3](-[C:2])=[O:6].[N:4]	1	1574
+[C:1]-[N:6]-[C:2](-[c:3](:[n:4]):[c:5])=[O:7]>>[C:2](-[c:3](:[n:4]):[c:5])(=[O:7])-[O:10].[C:1]-[N:6]=[N+:8]=[N-:9]	1	1575
+[C:1]-[O:2]-[C:3](-[C:4])-[c:5]>>[O:2]=[C:3](-[C:4])-[c:5].[C:1]-[I:6]	2	1576,1577
+[C:1]-[O:2]-[C:3](-[c:4](:[n:5]:[c:6]:[c:7]):[c:8])(-[C:9])-[C:10]>>[C:1]-[I:11].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:12].[O:2]=[C:3](-[C:9])-[C:10]	1	1578
+[C:1]-[O:2]-[C:3](=[N:4])-[c:5]:1:[n:6]:[c:7](-[C:8]):[c:9]:[c:10]:[c:11]:1>>[C:1]-[O:2].[C:3](=[N-:4])=[C:5]-1-[N+:6](-[C:7](-[C:8])=[C:9]-[C:10]=[C:11]-1)=[O:12]	1	1579
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5](-[C:6])-[O:7]>>[C:1]-[O:2].[O:7].[C:3](=[O:4])(-[C:5](-[C:6])-[N:9])-[O:8]	1	1580
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[O:2].[C:3](=[O:4])(-[C:5])-[O:6]	2	1581,1582
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[O:6].[C:3](-[C:5])#[N:7].[O:2].[O:4]	1	1583
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[O:6].[O:2](-[C:3](=[O:4])-[C:5])-[C:7](-[C:8])(-[C:9])-[C:10]	1	1584
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[O:6].[O:2](-[C:3](=[O:4])-[C:5])-[C:7]-[C:8]	1	1585
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6].[C:1]-[O:2]	1	1586
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[O:2].[N:5](-[C:6])-[C:7].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:17]:[c:16]:1)-[Cl:18]	2	1587,1588
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1]-[O:2].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:17]:[c:16]:1)-[Cl:18]	1	1589
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:17]:[c:16]:1)-[O:18]-[c:19]:2:[c:20]:[c:21]:[c:22](-[N+:23](=[O:24])-[O-:25]):[c:26]:[c:27]:2.[C:1]-[O:2]	1	1590
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5]-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1>>[C:1]-[O:2].[C:3](=[O:4])(-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1)-[O:11]-[C:12].[N:5](=[N+:13]=[N-:14])-[P:15](=[O:16])(-[c:17]:1:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:1)-[c:23]:2:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:2	1	1591
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]:1:[c:6](-[O:7]):[c:8](:[c:9]):[c:11](:[c:10]):[n:12]:[c:13]:1>>[C:1]-[O:2]-[C:13]=[C:5](-[C:3](=[O:4])-[O:17]-[C:18]-[C:19])-[C:6](=[O:7])-[O:16]-[C:15]-[C:14].[c:8](:[c:9]):[c:11](:[c:10])-[N:12]	1	1592
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[O:2].[C:3](-[c:5]:[c:6]:[n:7])#[N:8].[O:4]	1	1593
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[O:2].[C:3](=[O:4])(-[c:5])-[O:6]	2	1594,1595
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[O:2].[O:4].[C:3](-[c:5])#[N:6]	1	1596
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6]-[C:7].[C:1]-[O:2]	1	1597
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6].[C:1]-[O:2]	1	1598
+[C:1]-[O:2]-[C:3]-1-[C:4]-[C:5]-[C:6]-[C:7]-[O:8]-1>>[C:1]-[O:2]-[C:9](=[O:10])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1.[C:3]-1-[C:4]-[C:5]-[C:6]=[C:7]-[O:8]-1	1	1599
+[C:1]-[O:2]-[C:3]-1-[C:4]-[C:5]-[C:6]-[C:7]-[O:8]-1>>[C:3]-1-[C:4]-[C:5]-[C:6]=[C:7]-[O:8]-1.[C:1]-[O:2]-[C:9](=[O:10])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	1	1600
+[C:1]-[O:2]-[C:3]-[C:4]-[N:5]>>[C:1]-[O:2].[C:3](-[C:4](-[N:5])=[O:6])-[Cl:7]	1	1601
+[C:1]-[O:2]-[C:3]-[C:4]>>[C:1]-[I:5].[O:2]-[C:3](-[C:4])=[O:6]	1	1602
+[C:1]-[O:2]-[C:3]-[C:4]>>[C:1]-[I:5].[O:2]=[C:3](-[C:4])-[O:6]-[C:7]	3	1603,1604,1605
+[C:1]-[O:2]-[C:3]-[C:4]>>[C:1]-[O:2].[C:3](-[C:4])-[O:5]	1	1606
+[C:1]-[O:2]-[C:3]-[C:4]>>[O:2]=[C:3](-[C:4])-[O:6]-[C:7].[C:1]-[I:5]	1	1607
+[C:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:1]-[O:2].[C:3](-[c:4](:[n:5]):[c:6])-[O:7]	1	1608
+[C:1]-[O:2]-[C:3]-[c:4]:[c:6]:[n:5]>>[C:1]-[I:7].[O:2]=[C:3]-[c:4]:[c:6]:[n:5]	1	1609
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[I:5].[O:2]=[C:3](-[c:4])-[O:6]-[C:7]	1	1610
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[I:5].[O:2]=[C:3]-[c:4]	1	1611
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[O:2].[C:3](-[c:4])-[O:5]	1	1612
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[O:2].[C:3]-[c:4]	2	1613,1614
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:3]-[c:4].[C:1]-[O:2]	1	1615
+[C:1]-[O:2]-[C:3]>>[C:1]-[I:4].[O:2](-[C:3])-[C:5](=[O:6])-[C:7]	1	1616
+[C:1]-[O:2]-[C:3]>>[C:1]-[I:4].[O:2](-[C:3])-[Si:5](-[C:6])(-[C:7])-[C:8](-[C:9])(-[C:10])-[C:11]	1	1617
+[C:1]-[O:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[C:1]-[O:2]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:14]	2	1618,1619
+[C:1]-[O:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[C:1]-[O:2]-[Si:7](-[C:8])(-[C:9])-[C:10](-[C:11])(-[C:12])-[C:13].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:14]	1	1620
+[C:1]-[O:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:10].[C:1]-[O:2]-[C:7](-[C:8])=[O:9]	1	1621
+[C:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1>>[S:3](=[O:4])(=[O:5])(-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1)-[Cl:16].[C:1]-[O:2]-[C:13](-[C:14])=[O:15]	1	1622
+[C:1]-[O:2]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[O:2]-[Si:7](-[C:8](-[C:9])(-[C:10])-[C:11])(-[C:12])-[C:13].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:14]	1	1623
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[I:6].[c:3](:[c:4])(:[c:5])-[N:9].[O:2]=[N:7]-[O:8]	1	1624
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2]-[Si:6](-[C:7](-[C:8])(-[C:9])-[C:10])(-[C:11])-[C:12].[c:3](:[c:4])(:[c:5])-[O:13]	2	1625,1626
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2].[c:3](:[c:4])(:[c:5])-[O:6]	3	1627,1628,1629
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[N+:7](=[O:8])-[O-:9].[C:1]-[I:6].[O:2]	1	1630
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[N:7].[C:1]-[I:6].[O:2]	1	1631
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:1]-[O:2]	1	1632
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[O:6]-[C:7].[C:1]-[O:2]	1	1633
+[C:1]-[O:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[O:2].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[O:8]	1	1634
+[C:1]-[O:2]-[c:3](:[n:4]:[n:5]):[c:6]>>[C:1]-[O:2].[c:3](:[n:4]:[n:5])(:[c:6])-[O:7]	1	1635
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	2	1636,1637
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:1>>[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:1.[C:1]-[O:2]	1	1638
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	2	1639,1640
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9].[C:1]-[O:2]	1	1641
+[C:1]-[O:5]-[C:4]-[C:3]-[N:2]>>[C:1]-[O:5].[N:2]-[C:3](-[C:4]-[Cl:7])=[O:6]	1	1642
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6]-[C:7]-1-[C:8]-[C:9]-[C:10]-[C:11]-[O:12]-1.[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:13]	1	1643
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:14]	1	1644
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6]-[C:7].[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:8]	2	1645,1646
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6]-[Si:7](-[C:8](-[C:9])(-[C:10])-[C:11])(-[C:12])-[C:13].[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:14]	5	1647,1648,1649,1650,1651
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:13].[C:1]-[O:6]-[C:7]-1-[C:8]-[C:9]-[C:10]-[C:11]-[O:12]-1	1	1652
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:9].[C:1]-[O:6]-[C:7]-[C:8]	1	1653
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1	1	1654
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[N:5](-[C:6])(-[C:7])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1655
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	3	1656,1657,1658
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	4	1659,1660,1661,1662
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1.[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1663
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6]-[C:7]=[C:8])-[C:9]>>[N:5](-[C:6]-[C:7]=[C:8])(-[C:9])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:10]	1	1664
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6]-[C:7]=[C:8])-[C:9]>>[N:5](-[C:6]-[C:7]=[C:8])(-[C:9])-[C:11](=[O:12])-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:10]	1	1665
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6]-[C:7]>>[N:5]#[C:6]-[C:7].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1666
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6]-[c:7]>>[N:5]#[C:6]-[c:7].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1667
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6]>>[N:5](-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	1668
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7].[N+:5](-[c:6])(=[O:8])-[O-:9]	2	1669,1670
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7].[N:5](-[c:6])-[C:8](-[O:9]-[C:10])=[O:11]	1	1671
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[O:7].[N:5]-[c:6]	1	1672
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[N:5](-[c:6])-[C:8](-[C:9])=[O:10].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	1673
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[C:7]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[O:5]=[C:6](-[C:7])-[O:9]-[C:10]	1	1674
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[C:7]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[O:5]=[C:6](-[C:7])-[O:9]-[C:10]-[C:11]	1	1675
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[C:7]>>[O:5](-[C:6](-[C:7])=[O:9])-[C:10].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1676
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[C:7]>>[O:5]-[C:6](-[C:7])=[O:9].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1677
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[c:7]>>[O:5]=[C:6](-[c:7])-[O:9]-[C:10].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1678
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[c:7]>>[O:5]=[C:6]-[c:7].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1679
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7].[O:5](-[C:6])-[C:8]-1-[C:9]-[C:10]-[C:11]-[C:12]-[O:13]-1	2	1680,1681
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[c:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7].[O:5](-[c:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	1682
+[C:1]-[S:2]-[C:3]-[C:4]>>[C:3](-[C:4])(-[O:5])=[O:6].[C:1]-[S:2]	1	1683
+[C:1]-[S:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[C:1]-[S:2]	2	1684,1685
+[C:1]-[S:2]-[C:3]-[c:4]>>[C:1]-[S:2].[C:3](-[c:4])-[O:5]	1	1686
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6](-[C:7])-[C:8]>>[O:5]=[C:6](-[C:7])-[C:8].[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:9]	1	1687
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[C:7]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:8].[O:5](-[C:6](-[C:7])=[O:10])-[C:9]	1	1688
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[C:7]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:8].[O:5]=[C:6]-[C:7]	1	1689
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[c:7](:[c:8]):[n:9]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:10].[O:5]=[C:6](-[c:7](:[c:8]):[n:9])-[O:11]-[C:12]-[C:13]	2	1690,1691
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[c:7]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:8].[O:5]=[C:6](-[c:7])-[O:9]	1	1692
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]>>[O:5](-[C:6])-[C:8].[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:7]	1	1693
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[c:6]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:7].[O:5](-[c:6])-[C:8]	2	1694,1695
+[C:1]-[Si:2](-[O:3]-[C:4](=[C:5]-[C:6])-[C:7])(-[C:8])-[C:9]>>[C:1]-[Si:2](-[C:8])(-[C:9])-[O:10]-[S:11](=[O:12])(=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[O:3]-1-[C:4](-[C:5]-[C:6])(-[C:7])-[O:18]-[C:19]-[C:20]-1	1	1696
+[C:1]-[Si:2](-[O:3]-[C:4]-[C:5])(-[C:6])-[C:7]>>[C:1]-[Si:2](-[C:6])(-[C:7])-[Cl:8].[O:3]=[C:4](-[C:5])-[O:9]-[C:10]	1	1697
+[C:1]-[Si:2](-[O:3]-[C:4]-[C:5])(-[C:6])-[C:7]>>[O:3]-[C:4](-[C:5])=[O:9].[C:1]-[Si:2](-[C:6])(-[C:7])-[Cl:8]	1	1698
+[C:1]-[c:2]:1:[c:3](-[C:4](-[C:5])=[O:12]):[s:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:4](-[C:5])(=[O:12])-[Cl:13].[C:1]-[C:2](-[C:3]-[S:6]-[c:7](:[c:8]:[c:9]):[c:10])=[O:11]	1	1699
+[C:1]-[c:2]:1:[c:3](-[C:4](-[C:6]=[C:5]-[N:12])=[O:13]):[s:7]:[c:8](:[c:9]:1:[c:10]):[c:11]>>[C:4](-[C:6])(=[O:13])-[Cl:15].[C:5](-[N:12])(-[O:16]-[C:17])-[O:18]-[C:19].[C:1]-[C:2](-[C:3]-[S:7]-[c:8](:[c:9]:[c:10]):[c:11])=[O:14]	1	1700
+[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](-[O:6]):[c:7](:[c:8]):[c:10](:[c:9]):[n:11]:1>>[c:7](:[c:8]):[c:10](:[c:9])-[N+:11](=[O:16])-[O-:17].[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:12]-[C:13]-[C:14])=[O:15]	1	1701
+[C:1]-[c:2]:1:[c:3](-[C:4]):[o:5]:[c:6](-[c:7](:[n:8]):[c:9]):[n:10]:1>>[C:1]-[C:2](-[C:3](-[C:4])-[O:5])-[N:10]-[C:6](-[c:7](:[n:8]):[c:9])=[O:11]	1	1702
+[C:1]-[c:2]:1:[c:3](-[c:4]):[n:5](-[C:6]):[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:6]-[I:13].[C:1]-[C:2]-[C:3](-[c:4])=[O:11].[N:5](-[c:7](:[c:8]:[c:9]):[c:10])-[N:12]	1	1703
+[C:1]-[c:2]:1:[c:3](-[c:4]:2:[n:5]:[c:6](-[N:7]):[n:8]:[c:9]:[c:10]:2):[s:11]:[c:12](:[c:13]:1:[c:14]):[c:15]>>[N:5]=[C:6](-[N:7])-[N:8].[C:9](-[N:17](-[C:24])-[C:25])(-[O:18]-[C:21])-[O:22]-[C:23].[C:4](-[C:10])(=[O:19])-[Cl:20].[C:1]-[C:2](-[C:3]-[S:11]-[c:12](:[c:13]:[c:14]):[c:15])=[O:16]	1	1704
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[n:8]:[n:9]:1>>[C:4](-[C:5](=[O:6])-[O:7])(=[O:10])-[O:12]-[C:13]-[C:14].[C:1]-[C:2](-[C:3])=[O:11].[N:8]-[N:9]	1	1705
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[n:8]:[n:9]:1>>[C:4](-[C:5](=[O:6])-[O:7])(=[O:10])-[O:12]-[C:13]-[C:14].[N:8]-[N:9].[C:1]-[C:2](-[C:3])=[O:11]	1	1706
+[C:1]-[c:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[C:1]-[C:2]#[C:3].[C:4](-[c:5])=[O:8].[N:6]-[O:7]	1	1707
+[C:1]-[c:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:6]-[O:7].[C:1]-[C:2]#[C:3].[C:4](-[c:5])=[O:8]	1	1708
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1-[C:9]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7](:[c:6])-[N:8]-[C:9])-[I:10]	1	1709
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7](:[c:6])-[N:8])-[I:9]	1	1710
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7](:[c:6])-[N:8]-[S:10](-[C:9])(=[O:11])=[O:12])-[I:13]	1	1711
+[C:1]-[c:2]:1:[c:3]:[c:4](:[n:5]:[c:6](-[c:7]):[n:8]:1)-[Cl:9]>>[C:1]-[C:2](-[C:3]-[C:4](=[O:14])-[O:15]-[C:16]-[C:17])=[O:18].[Cl:9]-[P:10](=[O:11])(-[Cl:12])-[Cl:13].[N:5]-[C:6](-[c:7])=[N:8]	1	1712
+[C:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2]#[C:3].[c:4]:1(:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10])-[I:11]	1	1713
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[C:10]):[c:11]:[c:12]:1>>[O:9](-[C:10])-[C:14](-[C:15])=[O:16].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:13]):[c:11]:[c:12]:1	1	1714
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[C:10]-[C:11]):[c:12]:[c:13]:1>>[O:9]=[C:10](-[C:11])-[O:15]-[C:16]-[C:17].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:14]):[c:12]:[c:13]:1	2	1715,1716
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[C:10]-[C:11]):[c:12]:[c:13]:1>>[O:9]=[C:10](-[C:11])-[O:15].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:14]):[c:12]:[c:13]:1	1	1717
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:6](:[n:5]):[n:7]:1>>[C:1]-[I:17].[c:2]:1:[c:3]:[c:4]:[c:6](:[n:5]):[n:7]:1-[S:9](=[O:8])(=[O:10])-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2	1	1718
+[C:1]-[c:2]:1:[c:3]:[n:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2](-[C:3]-[Br:11])=[O:12].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[Cl:13].[N:10]	1	1719
+[C:1]-[c:2]:1:[c:3]:[n:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2](-[C:3]-[Br:11])=[O:12].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[O:13].[N:10]	1	1720
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:[c:9]:1-[O:10]>>[N:6]-[C:7].[C:1]-[C:2]-1=[C:3]-[N:4]-[C:5](-[N:8]-[C:9]-1=[O:10])=[S:11]	2	1721,1722
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:[c:9]:1-[O:10]>>[N:6]-[C:7].[C:1]-[C:2]-[C:9](=[O:10])-[O:17]-[C:16]-[C:15].[C:3](=[O:18])-[O:19]-[C:20]-[C:21].[N:4]-[C:5](-[N:8])=[N:14]-[N+:12](=[O:11])-[O-:13]	1	1723
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:[c:9]:1-[O:10]>>[N:6]-[C:7].[N:4]-[C:5](-[N:8])=[N:14]-[N+:12](=[O:11])-[O-:13].[C:1]-[C:2](-[C:3]=[O:15])-[C:9](=[O:10])-[O:16]-[C:17]-[C:18]	1	1724
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[S:6]-[C:7]-[c:8]):[n:9]:[c:10]:1-[O:11]>>[C:7](-[c:8])-[O:12].[C:1]-[C:2]-1=[C:3]-[N:4]-[C:5](=[S:6])-[N:9]-[C:10]-1=[O:11]	1	1725
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[S:6]-[C:7]-[c:8]):[n:9]:[c:10]:1-[O:11]>>[C:7](-[c:8])=[O:12].[C:1]-[C:2]-1=[C:3]-[N:4]-[C:5](=[S:6])-[N:9]-[C:10]-1=[O:11]	1	1726
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](:[n:6]:[c:7]:1-[O:8])-[N:10]-[N+:9]>>[C:1]-[C:2]-[C:7](=[O:8])-[O:13]-[C:12]-[C:11].[C:3](=[O:14])-[O:15]-[C:16]-[C:17].[N:4]-[C:5](-[N:6])=[N:10]-[N+:9]	1	1727
+[C:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[N:6]):[n:7]:1>>[C:1]-[C:2](-[C:3])=[O:8].[S:4]=[C:5](-[N:6])-[N:7]	1	1728
+[C:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[N:6]):[n:7]:1>>[C:1]-[C:2](-[C:3]-[Br:8])=[O:9].[S:4]=[C:5](-[N:6])-[N:7]-[C:10](=[O:11])-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	1	1729
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[C:1]-[C:2](=[O:8])-[Cl:9].[N:6]-[O:7].[N:3]#[C:4]-[C:5]	1	1730
+[C:1]-[c:2]:1:[n:3]:[c:4](-[N:5]):[n:6]:[o:7]:1>>[N:3]#[C:4]-[N:5].[C:1]-[C:2](=[O:8])-[O:9].[N:6]-[O:7]	1	1731
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6](-[c:7](:[n:8]):[c:9]):[s:10]:1>>[C:1]-[C:2](-[N:3])=[S:10].[C:6]-[c:7](:[n:8]):[c:9].[C:4](-[c:5])(=[O:11])-[O:12]-[C:13]-[C:14]	1	1732
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:2:[c:7]:[n:8]:[c:9]:[c:10]:[n:11]:1:2>>[C:1]-[C:2](=[O:12])-[Cl:13].[N:3]-[C:4](-[c:5])-[c:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:[n:11]:1	1	1733
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[n:7]:1>>[C:1]-[C:2](=[O:8])-[O:10].[N:3]-[C:6]-[C:4](-[c:5])=[O:9].[N:7]	1	1734
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[n:7]:1>>[N:7].[C:1]-[C:2](=[O:8])-[O:10].[N:3]-[C:6]-[C:4](-[c:5])=[O:9]	1	1735
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[C:1]-[C:2]#[N:3].[S:7]=[P:8](-[O:9]-[C:10]-[C:11])(-[O:12])-[S:13]-[C:14]-[C:15].[C:4](-[c:5])(-[C:6]-[Br:16])=[O:17]	1	1736
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[C:1]-[C:2](=[O:8])-[O:9].[N:3]#[C:4]-[c:5].[N:6]-[O:7]	1	1737
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:3]#[C:4]-[c:5].[C:1]-[C:2](-[O:7])=[O:8].[N:6]-[O:9]	1	1738
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:3]#[C:4]-[c:5].[C:1]-[C:2](=[O:8])-[Cl:9].[N:6]-[O:7]	1	1739
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[C:1]-[C:2](-[N:8]-[c:5](:[c:4](-[N+:3](=[O:10])-[O-:11]):[c:7]):[c:6])=[O:9]	1	1740
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[N:3]-[c:4](:[c:5](:[c:6])-[N:8]):[c:7].[C:1]-[C:2](=[O:9])-[O:10]	1	1741
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1-[C:9]):[c:7]>>[C:1]-[C:2](=[O:10])-[Cl:11].[N+:3](-[c:4](:[c:5](:[c:6])-[N:8]-[C:9]):[c:7])(=[O:12])-[O-:13]	1	1742
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[n:6]:1):[c:7]):[c:8]>>[C:1]-[C:2](=[O:9])-[O:10].[N:3]-[c:4](:[c:5](-[N+:6](=[O:11])-[O-:12]):[c:7]):[c:8]	1	1743
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[o:6]:1):[c:7]):[c:8]>>[C:1]-[C:2](=[O:9])-[O:10].[N:3]-[c:4](:[c:5](-[O:6]):[c:7]):[c:8]	1	1744
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[Cl:9]):[c:10]:1>>[C:1]-[C:2](-[C:10]-[C:8](=[O:15])-[O:16]-[C:17]-[C:18])=[O:19].[Cl:9]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[N:3]-[c:4](:[c:5]):[c:7]:[c:6]	1	1745
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[Cl:9]):[n:10]:1>>[Cl:9]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[C:1]-[C:2](=[O:16])-[O:17].[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](-[N:10])=[O:15]	1	1746
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[n:10]:1>>[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[N:10].[C:1]-[C:2](=[O:11])-[Cl:12]	1	1747
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](:[c:9]:1)-[Cl:10]>>[C:1]-[C:2](-[C:9]-[C:8](=[O:15])-[O:16]-[C:17]-[C:18])=[O:19].[Cl:10]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[N:3]-[c:4](:[c:5]):[c:7]:[c:6]	1	1748
+[C:1]-[c:2]:1:[n:3]:[c:4]-2:[c:5](:[c:6]:[c:7]:1)-[C:8]-[C:9]-[C:10]-[N:11]-2>>[C:1]-[C:2](-[C:7])=[O:12].[N:3]-[c:4]:1:[c:5](-[C:6]=[O:13]):[c:8]:[c:9]:[c:10]:[n:11]:1	1	1749
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6](:[c:7]:[n:9]:[c:10]:2):[n:8]):[n:11]:1-[C:12]>>[C:1]-[C:2](-[O:13]-[C:14])(-[O:15]-[C:16])-[O:17]-[C:18].[N+:3](-[c:4]:1:[c:5](:[c:6](:[c:7]:[n:9]:[c:10]:1):[n:8])-[N:11]-[C:12])(=[O:19])-[O-:20]	1	1750
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]>>[C:1]-[C:2](-[O:12]-[C:13])(-[O:14]-[C:15])-[O:16]-[C:17].[N+:3](-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[C:11])(=[O:18])-[O-:19]	2	1751,1752
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]>>[C:1]-[C:2](=[O:12])-[Cl:13].[N+:3](-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[C:11])(=[O:14])-[O-:15]	2	1753,1754
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]>>[N+:3](-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[C:11])(=[O:14])-[O-:15].[C:1]-[C:2](=[O:12])-[Cl:13]	1	1755
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2:[c:9](-[N:10]):[c:11]:1>>[C:1]-[C:2]-1=[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:11]-1)=[O:12].[N:10]	1	1756
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2:[c:9](-[N:10]-[C:11]):[c:12]:1>>[C:1]-[C:2]-1=[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:12]-1)=[O:13].[N:10]-[C:11]	1	1757
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[c:9](:[s:8]):[c:10]:2:[n:11]:1-[C:12]>>[c:4]:1(:[c:5]:[n:6]:[c:7]:[c:9](:[s:8]):[c:10]:1-[N:11]-[C:12])-[N+:13](=[O:15])-[O-:16].[C:1]-[C:2](-[N:3])=[O:14]	1	1758
+[C:1]-[c:2]:1:[n:3]:[n:4](-[C:5]):[c:6](-[N:7]):[c:8]:1-[c:9]>>[C:1]-[C:2](=[O:10])-[O:11]-[C:12]-[C:13].[N:3]-[N:4]-[C:5].[C:6](#[N:7])-[C:8]-[c:9]	1	1759
+[C:1]-[c:2]:1:[n:3]:[n:4](-[C:5]):[c:6](-[c:7]):[c:8]:1-[Br:11]>>[Br:11]-[N:12]-1-[C:13](=[O:14])-[C:15]-[C:16]-[C:17]-1=[O:18].[N:3]-[N:4]-[C:5].[C:1]-[C:2](-[C:8]-[C:6](-[c:7])=[O:9])=[O:10]	1	1760
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[C:1]-[C:2](-[C:8]-[C:6]#[N:7])=[O:9].[N:4]-[c:5].[N:3](=[O:10])-[O:11]	1	1761
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[N:3]-[N:4]-[c:5].[C:1]-[C:2](-[C:8]-[C:6](-[N:7])=[O:10])=[O:9]	1	1762
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[N:4]-[c:5].[C:1]-[C:2](-[C:8]-[C:6]#[N:7])=[O:9].[N:3](=[O:10])-[O:11]	1	1763
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:8]:1-[c:7]>>[C:1]-[C:2](-[N:3]-[N:4])=[O:9].[C:5](-[C:6])(-[N:8]-[c:7])=[O:10]	1	1764
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:8]:1-[c:7]>>[C:5](-[C:6])(-[N:8]-[c:7])=[O:10].[C:1]-[C:2](-[N:3]-[N:4])=[O:9]	1	1765
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[o:7]:1>>[C:5](-[C:6])(=[O:7])-[O:9].[C:1]-[C:2](-[N:3]-[N:4])=[O:8]	2	1766,1767
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[o:7]:1>>[C:1]-[C:2](=[O:7])-[O:8]-[C:9].[C:5](#[N:6])-[Br:10].[N:3]-[N:4]	1	1768
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[o:7]:1>>[C:5](#[N:6])-[Br:10].[N:3]-[N:4].[C:1]-[C:2](=[O:7])-[O:8]-[C:9]	1	1769
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]=[C:7]=[O:8]):[s:9]:1>>[C:1]-[C:2](=[O:10])-[O:11].[C:7](=[O:8])(-[Cl:12])-[Cl:13].[N:3]-[N:4]-[C:5](-[N:6])=[S:9]	1	1770
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[C:1]-[C:2](=[O:8])-[Cl:9].[N:3]-[N:4]-[C:5](-[c:6])=[O:7]	1	1771
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[C:1]-[C:2](=[O:8])-[O:9].[N:3]-[N:4]-[C:5](-[c:6])=[O:7]	1	1772
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[C:5](-[c:6])(=[O:7])-[O:9].[C:1]-[C:2](-[N:3]-[N:4])=[O:8]	1	1773
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]:[c:8]:[n:7]):[o:9]:1>>[C:1]-[C:2](=[O:10])-[Cl:11].[N:3]-[N:4]-[C:5](-[c:6]:[c:8]:[n:7])=[O:9]	1	1774
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]:[c:8]:[n:7]):[o:9]:1>>[C:5](-[c:6]:[c:8]:[n:7])(=[O:9])-[O:11].[C:1]-[C:2](-[N:3]-[N:4])=[O:10]	1	1775
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6]):[n:9]:1:[c:8]:[c:7]>>[C:1]-[C:2](=[O:10])-[O:11].[N:3]-[N:4]-[c:5](:[c:6]):[n:9]:[c:8]:[c:7]	1	1776
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1:2>>[N:3]-[N:4].[c:5]:1(:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1)-[Cl:11].[C:1]-[C:2](=[O:12])-[O:13]-[C:14]	1	1777
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[c:10](:[c:9]):[n:11]:1:2>>[C:1]-[C:2](-[O:12]-[C:13]-[C:14])(-[O:15]-[C:16]-[C:17])-[O:18]-[C:19]-[C:20].[N:3]-[N:4].[c:5]:1(:[c:6]:[n:7]:[c:8]:[c:10](:[c:9]):[n:11]:1)-[Cl:21]	1	1778
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[C:7]>>[N:3](=[N+:4]=[N-:5])-[Si:8](-[C:9])(-[C:10])-[C:11].[C:1]-[C:2](=[O:12])-[O:13].[N:6]-[C:7]	1	1779
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[C:7]>>[N:6]-[C:7].[C:1]-[C:2](=[O:12])-[O:13].[N:3](=[N+:5]=[N-:4])-[Si:9](-[C:8])(-[C:10])-[C:11]	1	1780
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[c:7]>>[N:6]-[c:7].[C:1]-[C:2](=[O:12])-[Cl:13].[N:3](=[N+:4]=[N-:5])-[Si:9](-[C:8])(-[C:10])-[C:11]	1	1781
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2](-[N:3])=[O:7].[N+:4](=[N-:5])=[N-:6]	2	1782,1783
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2](-[N:3])=[O:7].[N-:4]=[N+:5]=[N-:6]	1	1784
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2](-[N:6]-[C:10]-[C:9]-[C:8]#[N:7])=[O:11].[N:3](=[N+:5]=[N-:4])-[Si:12](-[C:13])(-[C:14])-[C:15]	1	1785
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[N-:4]=[N+:5]=[N-:6].[C:1]-[C:2](-[N:3])=[O:7]	1	1786
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[N:6]-[C:10]-[C:9]-[C:8]#[N:7].[C:1]-[C:2](=[O:15])-[O:16].[N:3](=[N+:5]=[N-:4])-[Si:12](-[C:11])(-[C:13])-[C:14]	1	1787
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:1]-[C:2]#[N:7].[N:3]-[O:9].[O:4]-[C:5](-[C:6])=[O:8]	1	1788
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[N:6](-[C:7])-[C:8]):[n:9]:1>>[N:6](-[C:7])-[C:8].[C:5](#[N:10])-[Br:11].[C:1]-[C:2](-[N:3]-[O:4])=[N:9]	1	1789
+[C:1]-[n:2]:1:[c:3](-[C:4]):[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:3](-[C:4])(=[O:12])-[O:13].[C:1]-[N:2]-[c:7](:[c:6](-[N+:5](=[O:10])-[O-:11]):[c:9]):[c:8]	1	1790
+[C:1]-[n:2]:1:[c:3](-[N:4]-[c:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:3](=[N:4]-[c:5])=[S:13].[C:1]-[N:2]-[c:8](:[c:7](-[N+:6](=[O:11])-[O-:12]):[c:10]):[c:9]	1	1791
+[C:1]-[n:2]:1:[c:3](-[N:4]-[c:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:4]-[c:5].[C:1]-[N:2]-[c:8](:[c:7](-[N:6]):[c:10]):[c:9].[C:3](=[S:11])(-[N:12]-1-[C:13](=[O:14])-[C:15]=[C:16]-[C:17]=[C:18]-1)-[N:19]-2-[C:20]=[C:21]-[C:22]=[C:23]-[C:24]-2=[O:25]	1	1792
+[C:1]-[n:2]:1:[c:3](-[c:4]):[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:1]-[N:2]-[c:7](:[c:6](-[N+:5](=[O:10])-[O-:11]):[c:9]):[c:8].[C:3](-[c:4])=[O:12]	1	1793
+[C:1]-[n:2]:1:[c:3](-[c:4]):[n:5]:[n:6]:[c:7]:1-[N:8](-[C:9])-[C:10]>>[C:1]-[N:2]=[C:7]=[S:11].[N:8](-[C:9])-[C:10].[C:3](-[c:4])(-[N:5]-[N:6])=[O:12]	1	1794
+[C:1]-[n:2]:1:[c:3](-[c:4]):[n:5]:[n:6]:[c:7]:1-[N:8](-[C:9])-[C:10]>>[C:1]-[N:2]=[C:7]=[S:12].[N:8](-[C:9])(-[C:10])-[C:11](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[C:3](-[c:4])(-[N:5]-[N:6])=[O:19]	1	1795
+[C:1]-[n:2]:1:[c:3](-[c:4]):[n:5]:[n:6]:[c:7]:1-[N:8]>>[C:1]-[N:2]-[C:7](-[N:8])=[S:9].[C:3](-[c:4])(-[N:5]-[N:6])=[O:10]	1	1796
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:1]-[N:2]-[c:6](:[c:5](-[N+:4](=[O:9])-[O-:10]):[c:8]):[c:7].[C:3](=[O:11])-[O:12]	1	1797
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:3](-[O:11]-[C:12]-[C:13])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[C:1]-[N:2]-[c:6](:[c:5](-[N+:4](=[O:9])-[O-:10]):[c:8]):[c:7]	1	1798
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:3](=[O:11])-[O:12].[C:1]-[N:2]-[c:6](:[c:5](-[N+:4](=[O:9])-[O-:10]):[c:8]):[c:7]	1	1799
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:2>>[C:1]-[N:2]-[c:6]:1:[c:5](-[N+:4](=[O:11])-[O-:12]):[c:10]:[n:9]:[c:8]:[c:7]:1.[C:3](-[O:13]-[C:14]-[C:15])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:20]-[C:21]	1	1800
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:2>>[C:3](-[O:13]-[C:14]-[C:15])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:20]-[C:21].[C:1]-[N:2]-[c:6]:1:[c:5](-[N+:4](=[O:11])-[O-:12]):[c:10]:[n:9]:[c:8]:[c:7]:1	1	1801
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:1:2>>[C:3](-[O:13]-[C:14]-[C:15])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:20]-[C:21].[C:1]-[N:2]-[c:10]:1:[c:5](-[N+:4](=[O:11])-[O-:12]):[c:6]:[c:7]:[c:8]:[n:9]:1	1	1802
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[C:7]>>[C:1]-[N:2].[C:5]-1-[C:6](-[C:7])(-[O:9]-[C:10]-[C:11](-[C:12]-[O:13])(-[O:14])-[O:15]-1)-[O:16].[C:3](#[N:4])-[S:8]	1	1803
+[C:1]-[n:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1-[c:7]>>[C:1]-[N:2]-[N:3].[C:5]-[C:6](-[c:7])=[O:11].[C:4](-[N:9](-[C:8])-[C:10])(-[O:12]-[C:13])-[O:14]-[C:15]	2	1804,1805
+[C:1]=[C:2](-[C:3])-[C:4]-[c:5](:[c:6]):[c:7]>>[C:1]=[C:2](-[C:3])-[C:4]-[Cl:8].[c:5](:[c:6]):[c:7]	1	1806
+[C:1]=[C:2]-[C:3](-[N:4]-[S:5](=[O:6])(=[O:7])-[C:8])=[C:9](-[O:10])-[N:11]>>[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:14].[C:1]=[C:2]-[C:3](-[N+:4](=[O:12])-[O-:13])=[C:9](-[O:10])-[N:11]	1	1807
+[C:1]=[C:2]-[C:3](-[O:4])-[c:5]>>[C:1]=[C:2]-[Mg:6]-[Br:7].[C:3](-[O:4])-[c:5]	1	1808
+[C:1]=[C:2]-[C:3](-[O:4])-[c:5]>>[C:1]=[C:2]-[Mg:6]-[Br:7].[C:3](=[O:4])(-[c:5])-[O:8]	1	1809
+[C:1]=[C:2]-[C:3](-[O:4]-[C:5]-[c:6])=[C:7]-[C:8]>>[C:5](-[c:6])-[Br:16].[C:1]=[C:2]-[C:3](-[O:4]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)=[C:7]-[C:8]	1	1810
+[C:1]=[C:2]-[C:3](=[O:4])-[C:5]>>[C:1]=[C:2]-[Mg:6]-[Br:7].[C:3](=[O:4])(-[C:5])-[O:8]	1	1811
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:8].[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15]	3	1812,1813,1814
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:8]-[C:9].[N:5](-[C:6])-[C:7]	1	1815
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:8].[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15]	1	1816
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:7].[N:5](-[C:6])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	1817
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[O:6]>>[N:5]-[O:6].[C:1]=[C:2]-[C:3](=[O:4])-[O:7]-[C:8]	1	1818
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:7].[N+:5](-[c:6])(=[O:8])-[O-:9]	4	1819,1820,1821,1822
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:7].[N:5](-[c:6])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	1823
+[C:1]=[C:2]-[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[C:1]=[C:2]-[C:3]-[C:4]-[Br:8].[N:5](-[C:6])(-[C:7])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1824
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5](=[O:6])-[C:7])-[C:8]>>[C:5](=[O:6])(-[C:7])-[O:16].[C:1]=[C:2]-[C:3]-[N:4](-[C:8])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15]	1	1825
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]=[C:2]-[C:3]-[O:7]	1	1826
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5]-[c:6])-[C:7]>>[C:5](-[c:6])=[O:15].[C:1]=[C:2]-[C:3]-[N:4](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	1827
+[C:1]=[C:2]-[C:3]-[O:4]-[c:5]>>[C:1]=[C:2]-[C:3]-[Br:6].[O:4](-[c:5])-[C:7]	3	1828,1829,1830
+[C:1]=[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]=[C:2]-[C:3]-[Br:7].[c:4](:[c:5]):[c:6]	4	1831,1832,1833,1834
+[C:1]=[C:2]-[C:3]=[C:4]-[C:5](-[O:6])-[C:7]-[C:8](=[O:9])-[C:10]>>[C:7]-[C:8](=[O:9])-[C:10].[C:1]=[C:2]-[C:3]=[O:11].[C:4](-[C:5]=[O:6])=[P:12](-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)(-[c:19]:2:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:2)-[c:25]:3:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:3	1	1835
+[C:1]=[C:2]-[C:3]>>[C:2](-[C:3])-[O:4].[C:1]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	1836
+[C:1]=[C:2]-[O:3]-[c:4]>>[O:3]-[c:4].[C:1](-[C:2]-[O:6]-[S:7](-[c:8]:1:[c:9]:[c:10]:[c:11](-[C:12]):[c:13]:[c:14]:1)(=[O:15])=[O:16])-[Cl:5]	1	1837
+[C:1]=[C:2]-[S:3](=[O:4])(=[O:5])-[N:6]-[C:7]-[C:8]>>[C:1](-[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:9])-[Cl:10].[C:7](-[C:8])-[O:21].[N:6]-1-[C:12](-[c:11]:2:[c:16](-[C:15]-1=[O:14]):[c:17]:[c:18]:[c:19]:[c:20]:2)=[O:13]	1	1838
+[C:1]=[C:2]-[S:3](=[O:4])(=[O:5])-[N:6]-[C:7]>>[N:6]-1(-[C:7])-[C:10](-[c:11]:2:[c:12](-[C:13]-1=[O:14]):[c:15]:[c:16]:[c:17]:[c:18]:2)=[O:19].[C:1](-[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:8])-[Cl:9]	1	1839
+[C:1]=[C:2]-[c:3]>>[C:2](-[c:3])-[O:4].[C:1]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	1840
+[Cl:1]-[C:2](-[C:3])-[c:4]>>[Cl:1]-[S:6](-[C:7])(=[O:8])=[O:9].[C:2](-[C:3])(-[c:4])=[O:5]	1	1841
+[Cl:1]-[C:2](-[c:3])-[c:4]>>[Cl:1]-[S:5](=[O:6])-[Cl:7].[C:2](-[c:3])(-[c:4])=[O:8]	1	1842
+[Cl:1]-[C:2]-[C:3]>>[Cl:1]-[S:5](=[O:6])-[Cl:7].[C:2](-[C:3])(=[O:4])-[O:8]-[C:9]-[C:10]	1	1843
+[Cl:1]-[C:2]-[c:3]>>[Cl:1]-[S:4](=[O:5])-[Cl:6].[C:2](-[c:3])=[O:7]	1	1844
+[Cl:1]-[c:2](:[n+:3](:[c:4]:[c:5])-[O-:7]):[c:6]>>[Cl:1]-[P:8](=[O:9])(-[Cl:10])-[Cl:11].[O:7]-[O:12]-[C:13](=[O:14])-[c:15]:1:[c:16]:[c:17](:[c:18]:[c:19]:[c:20]:1)-[Cl:21].[c:2](:[n:3]:[c:4]:[c:5]):[c:6]	1	1845
+[Cl:1]-[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[Cl:1]-[P:7](=[O:8])(-[Cl:9])-[Cl:10].[c:2](:[n:3]:[c:4]:[c:5]):[c:6]	1	1846
+[Cl:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8]:[c:9]:1>>[Cl:1]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[C:2](-[N:3]-[c:4](:[c:5]):[c:7]:[c:6])(-[C:9]=[C:8]-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)=[O:10]	1	1847
+[Cl:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8]:[c:9]:1>>[N:3]-[c:4](:[c:5]):[c:7]:[c:6].[Cl:1]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[C:2](-[C:9]=[C:8]-[c:19]:1:[c:18]:[c:17]:[c:16]:[c:15]:[c:20]:1)(=[O:10])-[Cl:21]	1	1848
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[C:7]-[C:8]=[O:9]>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[O:10].[C:7]-[C:8]=[O:9]	1	1849
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-1(-[c:6])-[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[N:12]-[O:13]-1>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])(-[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[O:14])-[O:15].[N:12]-[O:13]	1	1850
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-1(-[c:6])-[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[N:12]-[O:13]-1>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[O:15].[N:12]-[O:13].[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[O:14]	1	1851
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-1(-[c:6])-[C:7]-[C:8](-[c:9])=[N:10]-[O:11]-1>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[C:7].[N:10]-[O:11].[C:8](-[c:9])=[O:12]	1	1852
+[N+:1]-[C:2]-[C:3]-[c:4]>>[N+:1]-[C:2].[C:3](-[c:4])=[O:5]	1	1853
+[N-:1]=[C:2]=[C:3]-1-[C:4]=[C:5]-[C:6]=[C:7](-[C:8])-[N+:9]-1=[O:10]>>[c:3]:1:[c:4]:[c:5]:[c:6]:[c:7](-[C:8]):[n:9]:1.[N:1]#[C:2]-[Si:11](-[C:12])(-[C:13])-[C:14].[O:10]-[O:15]-[C:16](=[O:17])-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22](-[Cl:23]):[c:24]:1	1	1854
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[C:4](-[C:5])(-[O:6]-[C:8]-[C:7])=[O:9].[N-:1]=[N+:2]=[N-:3]	1	1855
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[C:4](-[C:5])-[O:6].[N-:1]=[N+:2]=[N-:3]	4	1856,1857,1858,1859
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[N-:1]=[N+:2]=[N-:3].[C:4](-[C:5])-[O:6]	3	1860,1861,1862
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[N-:1]=[N+:2]=[N-:3].[C:4](-[C:5])-[O:6]-[C:7]-[C:8]	1	1863
+[N-:1]=[N+:2]=[N:3]-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1>>[N-:1]=[N+:2]=[N-:3].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[O:10]	1	1864
+[N-:1]=[N+:2]=[N:3]-[c:4]>>[N-:1]=[N+:2]=[N-:5].[N+:3](-[c:4])(=[O:6])-[O-:7]	1	1865
+[N:1]#[C:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:17].[N+:1](#[C-:2])-[C:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13]	1	1866
+[N:1]#[C:2]-[C:3](-[N:4]-[C:5](=[O:6])-[O:7])(-[C:8])-[C:9]>>[C:3](-[C:8])(-[C:9])=[O:10].[N:1]#[C:2].[N:4].[C:5](=[O:6])(-[O:7])-[Cl:11]	1	1867
+[N:1]#[C:2]-[C:3](=[C:4](-[c:5])-[Cl:9])-[C:7](-[N:6])=[O:8]>>[N:1]-[C:15]-1-[C:16]-[C:17]-[C:18]-[C:19]-[C:20]-1.[Cl:9]-[P:10](=[O:11])(-[Cl:12])-[Cl:13].[C:2](-[C:3](=[C:4](-[c:5])-[O:21])-[C:7](-[N:6])=[O:8])(=[O:14])-[O:22]-[C:23]-[C:24]	1	1868
+[N:1]#[C:2]-[C:3](=[C:4](-[c:5])-[Cl:9])-[C:7](-[N:6])=[O:8]>>[N:1]-[C:21]-1-[C:10]-[C:11]-[C:12]-[C:13]-[C:14]-1.[Cl:9]-[P:16](=[O:17])(-[Cl:18])-[Cl:19].[C:2](-[C:3](=[C:4](-[c:5])-[O:15])-[C:7](-[N:6])=[O:8])(=[O:20])-[O:22]-[C:23]-[C:24]	1	1869
+[N:1]#[C:2]-[C:3](=[C:4]-[C:5])-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[C:4](-[C:5])=[O:12].[N:1]#[C:2]-[C:3]-[C:6](=[O:7])-[O:11].[N:8](-[C:9])-[C:10]	4	1870,1871,1872,1873
+[N:1]#[C:2]-[C:3](=[C:4]-[C:5])-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[C:4](-[C:5])=[O:19].[N:8](-[C:9])(-[C:10])-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N:1]#[C:2]-[C:3]-[C:6](=[O:7])-[O:11]	3	1874,1875,1876
+[N:1]#[C:2]-[C:3]-[C:4](-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])=[O:7].[N:1]#[C:2]-[C:3]-[P:8](-[O:9]-[C:10]-[C:11])(=[O:12])-[O:13]-[C:14]-[C:15]	1	1877
+[N:1]#[C:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[N:1]#[C:2]	2	1878,1879
+[N:1]#[C:2]-[C:3]-[C:4]>>[N:1]#[C:2].[C:3](-[C:4])-[O:5]	3	1880,1881,1882
+[N:1]#[C:2]-[C:3]-[O:4]-[C:5](-[c:6](:[c:7]):[c:8])-[C:9]>>[O:4]=[C:5](-[C:9])-[N:11](-[O:12]-[C:13])-[C:14].[c:6](:[c:7])(:[c:8])-[Br:15].[N:1]#[C:2]-[C:3]-[Br:10]	1	1883
+[N:1]#[C:2]-[C:3]-[O:4]-[C:5](-[c:6](:[c:7]):[c:8])-[C:9]>>[O:4]=[C:5](-[C:9])-[O:12].[c:6](:[c:7])(:[c:8])-[Br:11].[N:1]#[C:2]-[C:3]-[Br:10]	1	1884
+[N:1]#[C:2]-[C:3]-[O:4]-[C:5](-[c:6])-[C:7]>>[O:4]=[C:5](-[c:6])-[C:7].[N:1]#[C:2]-[C:3]-[Br:8]	1	1885
+[N:1]#[C:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[N:1]#[C:2].[C:3]-[c:4](:[n:5]):[c:6]	1	1886
+[N:1]#[C:2]-[C:3]-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:3]=[O:9].[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1.[N:1]#[C:2]	1	1887
+[N:1]#[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])(-[O:5])=[O:6].[N:1]#[C:2]	1	1888
+[N:1]#[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])(=[O:5])-[O:6].[N:1]#[C:2]	1	1889
+[N:1]#[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[O:5].[N:1]#[C:2]	4	1890,1891,1892,1893
+[N:1]#[C:2]-[C:3]-[c:4]>>[C:3]-[c:4].[N:1]#[C:2]	1	1894
+[N:1]#[C:2]-[C:3]-[c:4]>>[N:1]#[C:2].[C:3](-[c:4])(-[O:5])=[O:6]	2	1895,1896
+[N:1]#[C:2]-[C:3]-[c:4]>>[N:1]#[C:2].[C:3](-[c:4])-[O:5]	2	1897,1898
+[N:1]#[C:2]-[C:3]-[c:4]>>[N:1]#[C:2].[C:3]-[c:4]	2	1899,1900
+[N:1]#[C:2]-[C:3]>>[C:2](-[C:3])(=[O:4])-[O:5].[N:1]	2	1901,1902
+[N:1]#[C:2]-[c:3](:[c:4]):[c:5]>>[N:1]#[C:2].[c:3](:[c:4]):[c:5]	1	1903
+[N:1]#[C:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[c:3](:[c:4]):[n+:7](:[c:6]:[c:5])-[O-:8].[N:1]#[C:2]-[Si:9](-[C:10])(-[C:11])-[C:12]	1	1904
+[N:1]#[C:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[c:3](:[c:4]):[n:7]:[c:6]:[c:5].[N:1]#[C:2]-[Si:8](-[C:9])(-[C:10])-[C:11]	1	1905
+[N:1]#[C:2]-[c:3](:[c:4]:[n:5]):[c:6]>>[N:1]#[C:2].[c:3](:[c:4]:[n:5]):[c:6]	1	1906
+[N:1]#[C:2]-[c:3](:[n:4]):[c:5]>>[N:1]-[O:6].[C:2](-[c:3](:[n:4]):[c:5])-[O:7]	1	1907
+[N:1]#[C:2]-[c:3](:[n:4]):[c:5]>>[N:1]-[O:6].[C:2](-[c:3](:[n:4]):[c:5])=[O:7]	1	1908
+[N:1]#[C:2]-[c:3]:1:[c:4]:[c:5](-[c:6]):[c:7](-[c:8]):[n:9]:[c:10]:1-[Cl:11]>>[C:4](=[C:5](-[c:6])-[C:7](-[c:8])=[O:17])-[N:18](-[C:19])-[C:20].[Cl:11]-[P:12](=[O:13])(-[Cl:14])-[Cl:15].[N:1]#[C:2]-[C:3]-[C:10](-[N:9])=[O:16]	1	1909
+[N:1]#[C:2]-[c:3]:1:[c:4]:[c:5](-[c:6]):[c:7](-[c:8]):[n:9]:[c:10]:1-[O:11]>>[N:1]#[C:2]-[C:3]-[C:10](-[N:9])=[O:11].[C:4](-[N:13](-[C:12])-[C:14])(-[O:16]-[C:17])-[O:18]-[C:19].[C:5](-[c:6])-[C:7](-[c:8])=[O:15]	1	1910
+[N:1]#[C:2]-[c:3]:[c:4]:[n:5]>>[N:1]-[O:6].[C:2](-[c:3]:[c:4]:[n:5])=[O:7]	1	1911
+[N:1]#[C:2]-[c:3]>>[C:2](-[c:3])(=[O:4])-[O:5].[N:1]	1	1912
+[N:1]#[C:2]-[c:3]>>[C:2](-[c:3])=[O:5].[N:1]-[O:4]	1	1913
+[N:1]#[C:2]-[c:3]>>[N:1].[C:2](-[c:3])(-[O:4])=[O:5]	1	1914
+[N:1]#[C:2]-[c:3]>>[N:1].[C:2](-[c:3])(=[O:4])-[O:5]-[C:6]	1	1915
+[N:1](-[C:2](-[C:3])-[C:4])-[C:5]>>[C:2](-[C:3])(-[C:4])=[O:13].[N:1](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	1916
+[N:1](-[C:2](-[C:3])-[C:4])=[N+:6]=[N-:5]>>[C:2](-[C:3])(-[C:4])-[O:7].[N-:1]=[N+:6]=[N-:5]	1	1917
+[N:1](-[C:2](-[C:3])-[c:4])-[S:5](-[C:6])(=[O:7])=[O:8]>>[S:5](-[C:6])(=[O:7])(=[O:8])-[Cl:10].[N:1](=[C:2](-[C:3])-[c:4])-[O:9]	1	1918
+[N:1](-[C:2](-[C:3])-[c:4])=[N+:6]=[N-:5]>>[C:2](-[C:3])(-[c:4])=[O:7].[N:1](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	1	1919
+[N:1](-[C:2](=[O:3])-[N:4](-[C:5])-[C:6])-[C:8](=[O:7])-[O:9]>>[N:4](-[C:5])(-[C:6])-[C:17](-[O:18]-[C:19](-[C:20])(-[C:21])-[C:22])=[O:23].[N:1](-[C:2](=[O:3])-[O:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)-[C:8](=[O:7])-[O:9]	1	1920
+[N:1](-[C:2](=[O:3])-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8])-[C:9]>>[C:2](=[O:3])(-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:1](-[C:9])=[N+:10]=[N-:11]	2	1921,1922
+[N:1](-[C:2](=[O:3])-[c:4](:[c:5]:[o:6]):[n:7])-[c:8]>>[C:2](=[O:3])(-[c:4](:[c:5]:[o:6]):[n:7])-[O:11].[N+:1](-[c:8])(=[O:9])-[O-:10]	1	1923
+[N:1](-[C:2])(-[C:3])-[C:12](-[O:11])=[O:13]>>[N:1](-[C:2])(-[C:3])-[C:4]-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1.[O:11]-[C:12](=[O:13])-[Cl:14]	1	1924
+[N:1](-[C:2])(-[c:3])-[C:5](=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]>>[C:2]-[I:17].[O:4]=[C:5](-[C:6](-[F:7])(-[F:8])-[F:9])-[O:10]-[C:11](=[O:12])-[C:13](-[F:14])(-[F:15])-[F:16].[N:1]-[c:3]	1	1925
+[N:1](-[C:2])-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[N:1]-[C:2]	1	1926
+[N:1](-[C:2])-[C:3]-[C:4]>>[N:1]-[C:2].[C:3](-[C:4])-[O:5]	1	1927
+[N:1](-[C:2])-[C:3]-[c:4]>>[C:3](-[c:4])=[O:5].[N:1]-[C:2]	1	1928
+[N:1](-[C:2])-[C:4](-[C:3])-[c:5]>>[N:1]-[C:2].[C:3]-[C:4](-[c:5])=[O:6]	1	1929
+[N:1](-[C:2])-[C:4](=[O:3])-[C:5](-[F:6])(-[F:7])-[F:8]>>[N:1](-[C:2])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[O:3]=[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])-[O:16]-[C:17]-[C:18]	1	1930
+[N:1](-[C:2])-[C:6](-[c:5](:[c:3]):[c:4])-[c:7]>>[C:6](-[c:7])(=[O:8])-[Cl:9].[N:1]-[C:2].[c:3]:[c:5]:[c:4]	1	1931
+[N:1](-[C:2])-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]>>[N:1](-[C:2])=[N+:10]=[N-:11].[C:3]-[C:4](-[C:5])(-[C:6])-[O:7]-[C:8](=[O:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	1932
+[N:1](-[C:2])-[c:3]>>[C:2]-[I:10].[N:1](-[c:3])-[C:5](=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]	1	1933
+[N:1](-[C:2])-[c:3]>>[C:2]-[I:4].[N:1]-[c:3]	1	1934
+[N:1](-[C:2])=[C:6](-[c:5](:[c:3]):[c:4])-[c:7]>>[C:6](-[c:7])(=[O:8])-[Cl:9].[N:1]-[C:2].[c:3]:[c:5]:[c:4]	1	1935
+[N:1](-[C:2]-[C:3])(-[C:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]>>[C:5]-[C:6](-[C:7])(-[C:8])-[O:9]-[C:10](=[O:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[N:1](-[C:2](-[C:3])=[O:12])-[C:4]	1	1936
+[N:1](-[C:2]-[C:3])(-[C:5]=[O:4])-[C:6]=[O:7]>>[C:2](-[C:3])(-[O:8])=[O:9].[N:1](-[C:5]=[O:4])-[C:6]=[O:7]	1	1937
+[N:1](-[C:2]-[C:3])-[C:4]>>[C:2](-[C:3])(-[O:5])=[O:6].[N:1]-[C:4]	1	1938
+[N:1](-[C:2]-[C:3])-[C:4]>>[C:2](-[C:3])(-[O:5]-[C:7])=[O:6].[N:1]-[C:4]	1	1939
+[N:1](-[C:2]-[C:3])-[C:4]>>[C:2](-[C:3])-[O:5].[N:1]-[C:4]	2	1940,1941
+[N:1](-[C:2]-[C:3])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]>>[C:2](-[C:3])-[O:21]-[S:22](-[C:23])(=[O:24])=[O:25].[C:4]-[C:5](-[C:6])(-[C:7])-[O:8]-[C:9](=[O:10])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N-:1]=[N+:20]=[N-:19]	1	1942
+[N:1](-[C:2]-[C:3])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]>>[C:2](-[C:3])-[O:21].[C:4]-[C:5](-[C:6])(-[C:7])-[O:8]-[C:9](=[O:10])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N-:1]=[N+:20]=[N-:19]	1	1943
+[N:1](-[C:2]-[C:3])-[c:4]>>[C:2](-[C:3])-[O:5].[N:1]-[c:4]	1	1944
+[N:1](-[C:2]-[C:3])=[N+:5]=[N-:4]>>[C:2](-[C:3])(=[O:6])-[O:7].[N-:1]=[N+:5]=[N-:4]	1	1945
+[N:1](-[C:2]-[C:3])=[N+:5]=[N-:4]>>[C:2](-[C:3])-[O:6].[N-:1]=[N+:5]=[N-:4]	1	1946
+[N:1](-[C:2]-[C:3])=[N+:5]=[N-:4]>>[N-:1]=[N+:5]=[N-:4].[C:2](-[C:3])-[O:6]	5	1947,1948,1949,1950,1951
+[N:1](-[C:2]-[c:3])-[C:4]>>[N:1]-[C:4].[C:2](-[c:3])(=[O:5])-[O:6]	1	1952
+[N:1](-[C:2]-[c:3])-[c:4]>>[N+:1](-[c:4])(=[O:5])-[O-:6].[C:2](-[c:3])=[O:7]	1	1953
+[N:1](-[C:2]-[c:3])=[N+:4]=[N-:5]>>[N-:1]=[N+:4]=[N-:5].[C:2]-[c:3]	1	1954
+[N:1](-[C:2]-[c:3])=[N+:5]=[N-:4]>>[C:2]-[c:3].[N-:1]=[N+:5]=[N-:4]	1	1955
+[N:1](-[C:2]-[c:3])=[N+:5]=[N-:4]>>[N-:1]=[N+:5]=[N-:4].[C:2](-[c:3])-[O:6]	1	1956
+[N:1](-[c:2](:[c:3]:[n:4]):[c:6]:[n:5])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]>>[C:7]-[C:8](-[C:9])(-[C:10])-[O:11].[N:1](=[N+:15]=[N-:16])-[P:17](=[O:18])(-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1)-[c:25]:2:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:2.[c:2](:[c:3]:[n:4])(:[c:6]:[n:5])-[C:12](=[O:13])-[O:14]-[C:31]-[C:32]	1	1957
+[N:1](-[c:2])-[C:6](=[O:5])-[C:7](-[F:8])(-[F:9])-[F:10]>>[O:5]=[C:6](-[C:7](-[F:8])(-[F:9])-[F:10])-[O:11]-[C:12](=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[N+:1](-[c:2])(=[O:3])-[O-:4]	1	1958
+[N:1](-[c:2])-[S:3](-[C:4])(=[O:5])=[O:6]>>[N+:1](-[c:2])(=[O:7])-[O-:8].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:9]	1	1959
+[N:1](-[c:2])=[N+:3]=[N-:4]>>[N+:3](=[N-:4])=[N-:7].[N+:1](-[c:2])(=[O:5])-[O-:6]	1	1960
+[N:1](-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1)-[C:11](-[O:10])=[O:12]>>[N:1](=[C:2]=[S:13])-[C:11](-[O:10])=[O:12].[n:4](:[c:5]:[c:6]):[c:8](:[c:7])-[N:9].[N:3]-[O:14]	1	1961
+[N:1](=[C:2]-[c:3](:[n:4]):[c:5])-[O:6]>>[N:1]-[O:6].[C:2](-[c:3](:[n:4]):[c:5])-[O:7]	1	1962
+[N:1]-1-[C:2](=[O:3])-[C:4](-[N:5]-[C:6])=[C:7]-[S:8]-1>>[N:1]-1-[C:2](=[O:3])-[C:4](=[C:7]-[S:8]-1)-[O:9].[N:5]-[C:6]	1	1963
+[N:1]-1-[C:2](=[O:3])-[C:4](-[N:5]-[C:6])=[C:7]-[S:8]-1>>[N:5](-[C:6])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[N:1]-1-[C:2](=[O:3])-[C:4](=[C:7]-[S:8]-1)-[Cl:9]	1	1964
+[N:1]-1-[C:2](=[O:3])-[N:4](-[c:5])-[C:6](=[O:7])-[C:8]=[C:9]-1-[C:10]>>[C:2](=[O:3])(-[O:14]-[C:15](-[Cl:16])(-[Cl:17])-[Cl:18])-[Cl:19].[N:1]-[C:9](=[C:8]-[C:6](=[O:7])-[O:11]-[C:12]-[C:13])-[C:10].[N:4]-[c:5]	1	1965
+[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[c:7]:2:[c:8](-[c:9](:[c:10]):[n:11]):[n:12](-[C:13]-[c:14]):[n:15]:[c:16]-1:2>>[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[C:7]=[C:16]-1-[Cl:17].[C:13](-[c:14])=[O:19].[N:12]-[N:15].[C:8](-[c:9](:[c:10]):[n:11])=[O:18]	1	1966
+[N:1]-1-[C:2](=[O:3])-[c:4]:2:[c:5](-[c:6]):[n:7](-[c:8]):[c:9]:[c:10]:2-[N:11]-[C:12]-1=[O:13]>>[N:7]-[c:8].[N:1]-1-[C:2](=[O:3])-[C:4](-[C:5](-[c:6])=[O:14])=[C:10](-[C:9])-[N:11]-[C:12]-1=[O:13]	1	1967
+[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[c:7]:2:[c:8]-1:[n:9]:[c:10]:[n:11]:2>>[C:10](=[O:12])-[O:13].[N:11](-[O:14])=[O:15].[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[C:7]=[C:8]-1-[N:9]	1	1968
+[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[c:7]:2:[c:8]-1:[n:9]:[c:10]:[n:11]:2>>[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[C:7](=[C:8]-1-[N:9])-[N:11]=[O:12].[C:10](=[O:13])-[O:14]	1	1969
+[N:1]-1-[C:2]-[C:3]-[O:4]-[c:5]:[c:6]-1>>[C:2](-[C:3]-[Cl:8])(=[O:7])-[Cl:9].[N:1]-[c:6]:[c:5]-[O:4]	1	1970
+[N:1]-1-[C:2]=[C:3](-[c:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2)-[C:10]=[C:11](-[N:12])-[C:13]-1>>[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:15].[N:1]-1-[C:2]=[C:3](-[C:10]=[C:11](-[N:12])-[C:13]-1)-[Br:14]	1	1971
+[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[N:6]-[c:7](:[n:8]):[c:9])-[C:10]-1=[O:11]>>[N+:6](-[c:7](:[n:8]):[c:9])(=[O:13])-[O-:14].[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[C:10]-1=[O:11])-[Br:12]	1	1972
+[N:1]-1-[N:2]=[C:3]-[C:4](-[C:5](=[O:6])-[c:7])-[C:8]-1=[O:9]>>[N:1]-1-[N:2]=[C:3]-[C:4]-[C:8]-1=[O:9].[C:5](=[O:6])(-[c:7])-[O:10]	1	1973
+[N:1]-1-[N:2]=[C:3]-[C:4](-[C:5](=[O:6])-[c:7])-[C:8]-1=[O:9]>>[N:1]-1-[N:2]=[C:3]-[C:4]-[C:8]-1=[O:9].[C:5](=[O:6])(-[c:7])-[O:10]-[C:11]	1	1974
+[N:1]-1-[c:2]:[c:3](-[C:4](=[O:5])-[C:8]-1=[O:7]):[c:6]>>[C:4](-[O:7])(-[C:8](-[Cl:10])(-[Cl:11])-[Cl:12])-[O:13].[O:5]-[N:9].[N:1]-[c:2]:[c:3]:[c:6]	1	1975
+[N:1]-[C:12](-[N:8](-[C:3](-[C:2])-[O:4]-[C:5](=[O:6])-[C:7])-[c:9](:[n:10]):[s:11])=[O:13]>>[N:1]-[C:12](-[N:8]-[c:9](:[n:10]):[s:11])=[O:13].[C:2]-[C:3]=[O:4].[C:5](=[O:6])(-[C:7])-[Cl:14]	1	1976
+[N:1]-[C:12](-[N:8](-[C:3](-[C:2])-[O:4]-[C:5](=[O:6])-[O:7])-[c:9](:[n:10]):[s:11])=[O:13]>>[N:1]-[C:12](-[N:8]-[c:9](:[n:10]):[s:11])=[O:13].[C:2]-[C:3]=[O:4].[C:5](=[O:6])(-[O:7])-[Cl:14]	1	1977
+[N:1]-[C:2](-[C:3](-[C:4])-[N:5](-[C:9]=[O:8])-[C:10]=[O:11])=[C:6](-[C:7])-[Br:12]>>[C:4]-[Mg:13]-[Br:14].[N:1]-[C:2](-[C:3]-[O:15]-[C:16](-[C:17])=[O:18])=[C:6](-[C:7])-[Br:12].[N:5](-[C:9]=[O:8])-[C:10]=[O:11]	1	1978
+[N:1]-[C:2](-[C:3](-[C:4])-[N:5](-[C:9]=[O:8])-[C:10]=[O:11])=[C:6](-[C:7])-[Br:12]>>[N:1]-[C:2](-[C:3]-[O:13])=[C:6](-[C:7])-[Br:12].[C:4]-[Mg:14]-[Br:15].[N:5](-[C:9]=[O:8])-[C:10]=[O:11]	1	1979
+[N:1]-[C:2](-[C:3](-[C:4])-[N:5](-[C:9]=[O:8])-[C:10]=[O:11])=[C:6](-[C:7])-[Br:12]>>[N:1]-[C:2](-[C:3]=[O:13])=[C:6](-[C:7])-[Br:12].[C:4]-[Mg:14]-[Br:15].[N:5](-[C:9]=[O:8])-[C:10]=[O:11]	1	1980
+[N:1]-[C:2](-[C:3](-[C:4])-[O:8])=[C:5](-[C:6])-[Br:7]>>[C:4]-[Mg:12]-[Br:13].[N:1]-[C:2](-[C:3]-[O:8]-[C:9](-[C:10])=[O:11])=[C:5](-[C:6])-[Br:7]	1	1981
+[N:1]-[C:2](-[C:3](-[C:4])-[O:8])=[C:5](-[C:6])-[Br:7]>>[N:1]-[C:2](-[C:3]-[O:8])=[C:5](-[C:6])-[Br:7].[C:4]-[Mg:9]-[Br:10]	1	1982
+[N:1]-[C:2](-[C:3])-[C:4]>>[C:2](-[C:3])(-[C:4])-[O:15].[N:1]-1-[C:6](=[O:5])-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14]	1	1983
+[N:1]-[C:2](-[C:3])-[C:4]>>[C:2](-[C:3])(-[C:4])-[O:5].[N:1]	1	1984
+[N:1]-[C:2](-[C:3])-[C:4]>>[C:2](-[C:3])(-[C:4])=[O:12].[N:1]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1	1	1985
+[N:1]-[C:2](-[C:3])-[C:4]>>[C:2](-[C:3])(-[C:4])=[O:6].[N:1]-[O:5]	1	1986
+[N:1]-[C:2](-[C:3])-[C:4]>>[N:1].[C:2]-1(-[C:3])(-[C:4])-[O:5]-[C:6]-[C:7]-[O:8]-1	1	1987
+[N:1]-[C:2](-[C:3])-[c:4]>>[C:2](-[C:3])(-[c:4])-[O:15].[N:1]-1-[C:6](=[O:5])-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14]	1	1988
+[N:1]-[C:2](-[C:3])-[c:4]>>[C:2](-[C:3])(-[c:4])-[O:7].[N:1](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	1	1989
+[N:1]-[C:2](-[C:3])-[c:4]>>[C:2](-[C:3])(-[c:4])=[O:7].[N:1](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	1	1990
+[N:1]-[C:2](-[C:3]=[O:7])=[C:4](-[C:5])-[Br:6]>>[N:1]-[C:2](-[C:3]-[O:7]-[C:8](-[C:9])=[O:10])=[C:4](-[C:5])-[Br:6]	1	1991
+[N:1]-[C:2](-[c:3](:[c:4]):[c:5])=[N:6]-[O:7]>>[N:1]#[C-:2]~[Cu+:8].[N:6]-[O:7].[c:3](:[c:4])(:[c:5])-[Br:9]	1	1992
+[N:1]-[C:2](-[c:3])=[O:4]>>[C:2](-[c:3])(=[O:4])-[O:5].[N:1]	1	1993
+[N:1]-[C:2](-[c:3])=[O:4]>>[N:1].[C:2](-[c:3])(-[O:4]-[C:6])=[O:5]	1	1994
+[N:1]-[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)=[O:8]>>[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)(=[O:8])-[O:9]-[C:10]-[C:11].[N:1]	1	1995
+[N:1]-[C:2](=[C:3](-[N:4])-[C:5](=[O:6])-[N:7])-[N:8]>>[N:1]-[C:2](=[C:3]-[C:5](=[O:6])-[N:7])-[N:8].[N:4](=[O:9])-[O:10]	1	1996
+[N:1]-[C:2](=[C:3](-[N:4])-[N:5])-[C:7](-[N:6])=[O:8]>>[C:2](=[C:3](-[N:4])-[N:5])-[C:7](-[N:6])=[O:8].[N:1](=[O:9])-[O:10]	1	1997
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])=[C:7](-[c:8])-[Cl:9]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:14])-[O:22]-[C:23]-[C:24])=[C:7](-[c:8])-[O:15].[N:6]-[C:16]-1-[C:17]-[C:18]-[C:19]-[C:20]-[C:21]-1.[Cl:9]-[P:10](=[O:11])(-[Cl:12])-[Cl:13]	1	1998
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]-[O:6])(-[c:7])-[c:8]>>[C:5]-1(=[O:6])-[N:14](-[C:13]-[C:12]-[C:11]-[C:10]-[C:9])-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19](-[Br:20]):[c:21]:2-[C:22]-1(-[c:23]:3:[c:24]:[c:25]-4:[c:26](:[c:27]:[c:28]:3-[O:29])-[O:30]-[C:31]-[O:32]-4)-[O:33].[N:1]-[C:2](=[O:3])-[C:4](-[c:7])-[c:8]	1	1999
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]-[O:6])(-[c:7])-[c:8]>>[C:5]=[O:6].[N:1]-[C:2](=[O:3])-[C:4](-[c:7])(-[c:8])-[O:9]	2	2000,2001
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]-[O:6])(-[c:7])-[c:8]>>[N:1]-[C:2](=[O:3])-[C:4](-[c:7])(-[c:8])-[O:9].[C:5]-1(=[O:6])-[N:10](-[C:11]-[C:12]-[C:13]-[C:14]-[C:15])-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20](-[Br:21]):[c:22]:2-[C:23]-1-[c:24]:3:[c:25]:[c:26]-4:[c:27](:[c:28]:[c:29]:3-[O:30])-[O:31]-[C:32]-[O:33]-4	1	2002
+[N:1]-[C:2](=[O:3])-[C:4](-[c:5](:[c:6]):[c:7])-[c:8]>>[c:5](:[c:6]):[c:7].[N:1]-[C:2](=[O:3])-[C:4](-[c:8])=[O:9]	1	2003
+[N:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6](:[c:7]:[s:8]):[n:9])-[S:10]>>[C:5](-[c:6](:[c:7]:[s:8]):[n:9])(=[O:11])-[O:12]-[C:13]-[C:14].[N:1]-[C:2](=[O:3])-[C:4]-[S:10]	1	2004
+[N:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6](:[c:7]:[s:8]):[n:9])-[S:10]>>[C:5](-[c:6](:[c:7]:[s:8]):[n:9])-[O:11].[N:1]-[C:2](=[O:3])-[C:4]-[S:10]	1	2005
+[N:1]-[C:2](=[O:3])-[C:4]-1(-[C:5]-[O:6]-[c:7](:[c:8]):[c:9]-1)-[c:10]>>[C:5]-1(=[O:6])-[N:12](-[C:13]-[C:14]-[C:15]-[C:16]-[C:17])-[c:18]:2:[c:19]:[c:20]:[c:21]:[c:22](-[Br:23]):[c:24]:2-[C:25]-1-[c:26]:3:[c:27]:[c:28]-4:[c:29](:[c:30]:[c:31]:3-[O:32])-[O:33]-[C:34]-[O:35]-4.[N:1]-[C:2](=[O:3])-[C:4](-[c:9]:[c:7](:[c:8])-[O:11])-[c:10]	1	2006
+[N:1]-[C:2](=[O:3])-[C:4]-1(-[C:5]-[O:6]-[c:7](:[c:8]):[c:9]-1)-[c:10]>>[C:5]-1(=[O:6])-[N:17](-[C:16]-[C:15]-[C:14]-[C:13]-[C:12])-[c:18]:2:[c:19]:[c:20]:[c:21]:[c:22](-[Br:23]):[c:24]:2-[C:25]-1(-[c:26]:3:[c:27]:[c:28]-4:[c:29](:[c:30]:[c:31]:3-[O:32])-[O:33]-[C:34]-[O:35]-4)-[O:36].[N:1]-[C:2](=[O:3])-[C:4](-[c:9]:[c:7](:[c:8])-[O:11])-[c:10]	1	2007
+[N:1]-[C:2](=[O:3])-[C:4]-1(-[C:5]-[O:6]-[c:7](:[c:8]):[c:9]-1)-[c:10]>>[N:1]-[C:2](=[O:3])-[C:4](-[c:9]:[c:7](:[c:8])-[O:11])(-[c:10])-[O:12].[C:5]-1(=[O:6])-[N:13](-[C:14]-[C:15]-[C:16]-[C:17]-[C:18])-[c:19]:2:[c:20]:[c:21]:[c:22]:[c:23](-[Br:24]):[c:25]:2-[C:26]-1-[c:27]:3:[c:28]:[c:29]-4:[c:30](:[c:31]:[c:32]:3-[O:33])-[O:34]-[C:35]-[O:36]-4	1	2008
+[N:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[O:6])-[C:7](=[O:8])-[N:9]-[C:10]-1>>[N:1]-[C:2](=[O:3])-[C:4]=[C:5]-1-[O:6]-[C:29](-[C:30])(-[C:31])-[O:32]-[C:27]-1=[O:28].[C:7]-1(=[O:8])-[N:9]-[C:10]-[C:15](=[C:13]-1-[O:14])-[C:16](=[O:12])-[N:17](-[C:18])-[C:19]-[c:20]:2:[c:11]:[c:25](:[c:23](:[c:22]:[c:21]:2)-[Cl:24])-[Cl:26]	1	2009
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:16].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15]	1	2010
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:16].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15]	1	2011
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:9]-[C:10].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]	2	2012,2013
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[C:6](=[O:7])(-[C:8])-[O:16]	2	2014,2015
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[C:8])-[O:9]	1	2016
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8](:[c:9]):[o:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[C:6](=[O:7])(-[c:8](:[c:9]):[o:10])-[O:18]	1	2017
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8])-[O:9]-[C:10]-[C:11]	1	2018
+[N:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[C:7](=[O:8])-[C:9]>>[C:7](=[O:8])(-[C:9])-[O:17].[N:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16]	1	2019
+[N:1]-[C:2](=[O:3])-[C:4]>>[C:2](-[O:3]-[C:6]-[C:7])(-[C:4])=[O:5].[N:1]	1	2020
+[N:1]-[C:2](=[O:3])-[C:4]>>[C:2](=[O:3])(-[C:4])-[O:5]-[C:6].[N:1]	1	2021
+[N:1]-[C:2](=[O:3])-[C:4]>>[N:1].[C:2](=[O:3])(-[C:4])-[O:5]-[C:6]	1	2022
+[N:1]-[C:2](=[O:3])-[C:4]>>[N:1].[C:2](=[O:3])(-[C:4])-[O:5]-[C:6]-[C:7]	2	2023,2024
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7]>>[N:4]-[C:5].[N:1]-[C:2](=[O:3])-[Cl:8].[C:6](-[C:7])-[Br:9]	1	2025
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[N:1]-[C:2](=[O:3])-[O:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	2026
+[N:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4](-[C:5])-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:1]-[C:2](=[O:3])-[O:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	2	2027,2028
+[N:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:1]-[C:2](=[O:3])-[O:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[N+:4](-[c:5])(=[O:13])-[O-:14]	1	2029
+[N:1]-[C:2](=[O:3])-[c:4](:[c:5]):[s:6]>>[C:2](=[O:3])(-[c:4](:[c:5]):[s:6])-[O:7]-[C:8]-[C:9].[N:1]	1	2030
+[N:1]-[C:2](=[O:3])-[c:4](:[n:5]):[c:6]>>[C:2](=[O:3])(-[c:4](:[n:5]):[c:6])-[O:7]-[C:8]-[C:9].[N:1]	1	2031
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[N:6]):[c:7]:2:[c:8](:[n:9]:[c:10]:[n:11]:[c:12]:2):[s:13]:1>>[C:5](#[N:6])-[c:7]:1:[c:8](:[n:9]:[c:10]:[n:11]:[c:12]:1)-[O:14].[N:1]-[C:2](=[O:3])-[C:4]-[S:13]	1	2032
+[N:1]-[C:2](=[O:3])-[c:4]:[c:5]:[n:6]>>[C:2](=[O:3])(-[c:4]:[c:5]:[n:6])-[O:7]-[C:8]-[C:9].[N:1]	1	2033
+[N:1]-[C:2](=[O:3])-[c:4]>>[C:2](=[O:3])(-[c:4])-[O:5]-[C:6]-[C:7].[N:1]	1	2034
+[N:1]-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[N:7]-[C:8]>>[N:1]-[C:2](=[S:3])-[N:4].[N:7]-1(-[C:8])-[C:11](=[O:12])-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2-[C:19]-1=[O:20].[C:5](=[O:6])(-[C:9])-[O:10]	1	2035
+[N:1]-[C:2](=[S:3])-[N:4]-[c:5]>>[C:2](=[S:3])(-[Cl:6])-[Cl:7].[N:4]-[c:5].[N:1]	1	2036
+[N:1]-[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8]>>[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8].[N+:1](-[O:9])(-[O-:10])=[O:11]	1	2037
+[N:1]-[C:2]-[C:3]-1-[C:4]-[N:5](-[c:6])-[C:7]-[C:8]-[N:9]-1-[C:10]>>[N:1]-[C:2](-[C:3](-[C:4]-[Br:12])-[Br:13])=[O:11].[N:5](-[c:6])-[C:7]-[C:8]-[N:9]-[C:10]	1	2038
+[N:1]-[C:2]-[C:3]-[C:4]>>[N:1]#[C:2].[C:3](-[C:4])-[Cl:5]	1	2039
+[N:1]-[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[N:1]-[C:2](-[C:3]-[Cl:8])=[O:7]	1	2040
+[N:1]-[C:2]-[C:3]-[O:4]-[c:5]>>[N:1]-[C:2](-[C:3]-[Cl:7])=[O:6].[O:4]-[c:5]	1	2041
+[N:1]-[C:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[N:1]#[C:2].[C:3](-[c:4](:[n:5]):[c:6])-[Br:7]	1	2042
+[N:1]-[C:2]-[C:3]-[c:4]>>[N+:1](-[C:2])(=[O:5])-[O-:6].[C:3](-[c:4])=[O:7]	1	2043
+[N:1]-[C:2]-[C:3]-[c:4]>>[N+:1](-[C:2]=[C:3]-[c:4])(=[O:5])-[O-:6]	2	2044,2045
+[N:1]-[C:2]-[C:3]-[c:4]>>[N:1]#[C:2].[C:3](-[c:4])-[Br:5]	1	2046
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])(-[O:14])=[O:15].[N:1]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	2047
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])(=[O:4])-[O:5].[N:1]	1	2048
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])(=[O:6])-[O:7].[N-:1]=[N+:5]=[N-:4]	1	2049
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[Br:14].[N:1]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	2050
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[Br:6].[N-:1]=[N+:5]=[N-:4]	2	2051,2052
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:11].[N:1]-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:10]:[c:9]:1	1	2053
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:14]-[S:15](-[C:16])(=[O:17])=[O:18].[N:1]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	2054
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:14].[N:1]-1-[C:5](-[c:4]:2:[c:9](-[C:8]-1=[O:7]):[c:10]:[c:11]:[c:12]:[c:13]:2)=[O:6]	1	2055
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:14].[N:1]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	2056
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10].[N-:1]=[N+:5]=[N-:4]	1	2057
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:6].[N-:1]=[N+:5]=[N-:4]	1	2058
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])=[O:11].[N:1]-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:10]:[c:9]:1	1	2059
+[N:1]-[C:2]-[C:3]>>[N-:1]=[N+:5]=[N-:4].[C:2](-[C:3])-[Br:6]	2	2060,2061
+[N:1]-[C:2]-[C:3]>>[N-:1]=[N+:5]=[N-:4].[C:2](-[C:3])-[I:6]	1	2062
+[N:1]-[C:2]-[C:3]>>[N-:1]=[N+:5]=[N-:4].[C:2](-[C:3])-[O:6]	5	2063,2064,2065,2066,2067
+[N:1]-[C:2]-[C:3]>>[N-:1]=[N+:5]=[N-:4].[C:2](-[C:3])-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10]	5	2068,2069,2070,2071,2072
+[N:1]-[C:2]-[C:3]>>[N:1]-[C:2](-[C:3])=[O:4]	1	2073
+[N:1]-[C:2]-[c:3](:[c:4]):[n:5]>>[N-:1]=[N+:7]=[N-:6].[C:2](-[c:3](:[c:4]):[n:5])-[Br:8]	1	2074
+[N:1]-[C:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:8].[N:1]#[C:2]	1	2075
+[N:1]-[C:2]-[c:3](:[c:4]:[n:5]):[n:6]>>[N-:1]=[N+:8]=[N-:7].[C:2](-[c:3](:[c:4]:[n:5]):[n:6])-[O:9]	1	2076
+[N:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[C:2](-[c:3](:[n:4]):[c:5])-[O:16].[N:1]-1-[C:7](=[O:6])-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2-[C:14]-1=[O:15]	1	2077
+[N:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[C:2](-[c:3](:[n:4]):[c:5])=[O:7].[N:1]-[O:6]	1	2078
+[N:1]-[C:2]-[c:3]:[c:4]:[n:5]>>[C:2](-[c:3]:[c:4]:[n:5])-[Br:8].[N-:1]=[N+:7]=[N-:6]	1	2079
+[N:1]-[C:2]-[c:3]>>[C:2](-[c:3])(=[O:4])-[O:5].[N:1]	1	2080
+[N:1]-[C:2]-[c:3]>>[C:2](-[c:3])-[Br:6].[N-:1]=[N+:5]=[N-:4]	1	2081
+[N:1]-[C:2]-[c:3]>>[C:2](-[c:3])-[O:6].[N:1](=[N+:5]=[N-:4])-[P:7](=[O:8])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2	1	2082
+[N:1]-[C:2]-[c:3]>>[C:2](-[c:3])=[O:5].[N:1]-[O:4]	1	2083
+[N:1]-[C:2]-[c:3]>>[C:2]-[c:3].[N-:1]=[N+:5]=[N-:4]	1	2084
+[N:1]-[C:2]-[c:3]>>[N-:1]=[N+:5]=[N-:4].[C:2](-[c:3])-[Br:6]	1	2085
+[N:1]-[C:2]-[c:3]>>[N:1]#[C:2]-[c:3]	1	2086
+[N:1]-[C:2]-[c:3]>>[N:1](-[C:5])(-[C:6])-[C:7]=[O:8].[C:2](-[c:3])(=[O:4])-[O:9]	1	2087
+[N:1]-[C:2]-[c:3]>>[N:1]-[C:2](-[c:3])=[O:4]	1	2088
+[N:1]-[C:2]-[c:3]>>[N:1]-[O:4].[C:2](-[c:3])=[O:5]	1	2089
+[N:1]-[C:2]-[c:3]>>[N:1].[C:2](-[c:3])(=[O:4])-[O:5]	1	2090
+[N:1]-[C:2]-[c:3]>>[N:1].[C:2](-[c:3])(=[O:4])-[O:5]-[C:6]	1	2091
+[N:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:7]:[n:6])-[c:8]>>[N:1]-[C:2]=[C:3]-[c:8].[c:4](:[c:5])(:[c:7]:[n:6])-[B:9](-[O:10])-[O:11]	1	2092
+[N:1]-[C:2]=[N:3]-[c:4]>>[N:1]-[C:2](-[O:5]-[C:6])-[O:7]-[C:8].[N+:3](-[c:4])(=[O:9])-[O-:10]	1	2093
+[N:1]-[C:5](-[c:4](:[c:2]):[c:3])-[c:6]>>[N:1]-[C:5](-[c:6])=[O:7].[c:2]:[c:4]:[c:3]	1	2094
+[N:1]-[C:6](=[C:5](-[C:3](-[N:2])=[O:4])-[N:8])-[N:7]>>[N:1]-[C:6](=[C:5]-[C:3](-[N:2])=[O:4])-[N:7].[N:8](=[O:9])-[O:10]	1	2095
+[N:1]-[C:6](=[C:5](-[C:3](-[N:2])=[O:4])-[N:8])-[N:7]>>[N:8](-[O:9])=[O:10].[N:1]-[C:6](=[C:5]-[C:3](-[N:2])=[O:4])-[N:7]	1	2096
+[N:1]-[C:7](-[C:5](=[C:3](-[N:2])-[N:4])-[N:6])=[O:8]>>[N:1]-[C:7](-[C:5]=[C:3](-[N:2])-[N:4])=[O:8].[N:6](-[O:9])=[O:10]	1	2097
+[N:1]-[N:2]-[C:3](-[c:4])=[O:5]>>[C:3](-[c:4])(=[O:5])-[O:6].[N:1]-[N:2]	1	2098
+[N:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[N:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]	1	2099
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:7]:[n:6]>>[C:3](=[O:4])(-[c:5]:[c:7]:[n:6])-[O:8]-[C:9].[N:1]-[N:2]	1	2100
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6].[N:1]-[N:2]	1	2101
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[N:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7]	1	2102
+[N:1]-[N:2]-[c:3]>>[N+:2](-[c:3])(=[O:6])-[O-:7].[N:1](=[O:4])-[O:5]	4	2103,2104,2105,2106
+[N:1]-[N:2]-[c:3]>>[N:1](=[O:4])-[O:5].[N+:2](-[c:3])(=[O:6])-[O-:7]	2	2107,2108
+[N:1]-[S:2](=[O:3])(=[O:4])-[c:5](:[c:6]):[c:7]>>[N:1].[S:2](=[O:3])=[O:4].[c:5](:[c:6])(:[c:7])-[N:8]	1	2109
+[N:1]-[c:2](:[c:3]):[c:4]>>[N+:1](-[O:5])(-[O-:6])=[O:7].[c:2](:[c:3]):[c:4]	3	2110,2111,2112
+[N:1]-[c:2](:[c:3]):[c:4]>>[N+:1](=[O:5])(-[O-:6])-[O:7].[c:2](:[c:3]):[c:4]	5	2113,2114,2115,2116,2117
+[N:1]-[c:2](:[c:3]):[c:4]>>[N:1]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11].[c:2](:[c:3])(:[c:4])-[Br:12]	1	2118
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[C:5](=[O:6])-[O:7].[N:1](=[N+:8]=[N-:9])-[P:10](=[O:11])(-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)-[c:18]:2:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:2	2	2119,2120
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[F:7].[N-:1]=[N+:6]=[N-:5]	1	2121
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3]):[c:4].[N+:1](-[O:5])(-[O-:6])=[O:7]	1	2122
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3]):[c:4].[N+:1](=[O:5])(-[O-:6])-[O:7]	3	2123,2124,2125
+[N:1]-[c:2](:[c:3]):[n:6]:[c:5]:[c:4]>>[c:2](:[c:3])(:[n:6]:[c:5]:[c:4])-[F:16].[N:1]-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:15]:[c:14]:1	2	2126,2127
+[N:1]-[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[c:2](:[n:3]:[c:4]:[c:5])(:[c:6])-[Cl:16].[N:1]-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:15]:[c:14]:1	2	2128,2129
+[N:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[C:4](-[C:5])(=[O:8])-[O:9]-[C:10].[N:1]#[C:2]-[C:3].[N:6]-[O:7]	1	2130
+[N:1]-[c:2]:1:[c:3]:[c:4](:[n:5]):[n:6]:[c:7]:[c:8]:1>>[c:2]:1(:[c:3]:[c:4](:[n:5]):[n:6]:[c:7]:[c:8]:1)-[Br:16].[N:1]-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]	1	2131
+[N:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[s:6]:1>>[N+:1](-[O:7])(-[O-:8])=[O:9].[c:2]:1:[c:3]:[c:4]:[c:5]:[s:6]:1	1	2132
+[N:1]-[c:2]:1:[n+:3](:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10])-[O-:11]>>[O:11]-[O:12]-[C:13](-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18](-[Cl:19]):[c:20]:1)=[O:21].[N:1].[c:2]:1:[n:3]:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]	1	2133
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5](:[n:6]):[c:7]):[c:8]:[s:9]:1>>[C:4](-[c:5](:[n:6]):[c:7])(-[C:8]-[Br:18])=[O:19].[N:1]-[C:2](-[N:3]-[C:10](=[O:11])-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)=[S:9]	1	2134
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[C:4](-[c:5])(-[C:6]-[Br:16])=[O:17].[N:1]-[C:2](-[N:3]-[C:8](=[O:9])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)=[S:7]	1	2135
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[s:8]:1):[c:7]>>[N:1]#[C:2]-[S:8].[N+:3](-[c:4](:[c:5]:[c:6]):[c:7])(=[O:9])-[O-:10]	1	2136
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[s:6]:1):[c:7]):[c:8]>>[N+:3](-[c:4](:[c:5]:[c:7]):[c:8])(=[O:9])-[O-:10].[N:1]#[C:2]-[S:6]	1	2137
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]>>[N:1].[c:2]:1:[n+:3](:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10])-[O-:11]	1	2138
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]>>[N:1].[c:2]:1:[n:3]:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]	1	2139
+[N:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[s:6]:1):[c:7]:[n:8]:[c:9]:[c:10]:2>>[N:1](-[C:2](-[N:3]-[c:4]:1:[c:5]:[c:7]:[n:8]:[c:9]:[c:10]:1)=[S:6])-[C:11](=[O:12])-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2	1	2140
+[N:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6](-[c:7]):[n:8]:1>>[N:1]-[C:2](-[N:3])=[N:8].[C:4](-[N:10](-[C:9])-[C:11])(-[O:13]-[C:14])-[O:15]-[C:16].[C:5]-[C:6](-[c:7])=[O:12]	1	2141
+[N:1]-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1>>[N:1](-[C:2](-[N:9]-[c:8](:[n:4]:[c:5]:[c:6]):[c:7])=[S:15])-[C:13](-[O:12]-[C:11]-[C:10])=[O:14].[N:3]-[O:16]	1	2142
+[N:1]-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1>>[N:1](=[C:2]=[S:15])-[C:13](-[O:12]-[C:11]-[C:10])=[O:14].[n:4](:[c:5]:[c:6]):[c:8](:[c:7])-[N:9].[N:3]-[O:16]	1	2143
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[n:6]:[c:7]:[c:8]:[c:9]:[c:10]:1:2>>[N:3]-[N:4].[N:1]#[C:2]-[c:10]:1:[c:5](:[n:6]:[c:7]:[c:8]:[c:9]:1)-[O:11]	1	2144
+[N:1]=[C:2](-[C:3](-[C:4])=[O:7])-[C:5]=[O:6]>>[C:4]-[Mg+:8].[N:1]=[C:2](-[C:3](=[O:7])-[O:9]-[C:10])-[C:5]=[O:6]	1	2145
+[N:1]=[C:2](-[C:3](-[C:4])=[O:7])-[C:5]=[O:6]>>[C:4]-[Mg+:9].[N:1]=[C:2](-[C:3](=[O:7])-[O:8])-[C:5]=[O:6]	1	2146
+[N:1]=[C:2](-[C:3](=[O:4])-[C:5])-[C:6]=[O:7]>>[N:1]=[C:2](-[C:3](=[O:4])-[O:9])-[C:6]=[O:7].[C:5]-[Mg+:8]	1	2147
+[N:1]=[C:2](-[C:3](=[O:4])-[C:5])-[C:6]=[O:7]>>[N:1]=[C:2](-[C:3](=[O:4])-[O:9]-[C:10])-[C:6]=[O:7].[C:5]-[Mg+:8]	1	2148
+[N:1]=[C:2](-[C:3](=[O:4])-[C:5]=[C:6]-[N:7])-[C:8]=[O:9]>>[N:1]=[C:2](-[C:3](=[O:4])-[N:10](-[O:11]-[C:12])-[C:13])-[C:8]=[O:9].[C:5]-[Mg+:14].[C:6](-[N:7])(-[O:15]-[C:16])-[O:17]-[C:18]	1	2149
+[N:1]=[C:2](-[C:3](=[O:4])-[N:5](-[C:6])-[O:7])-[C:8]=[O:9]>>[N:1]=[C:2](-[C:3](=[O:4])-[O:10]-[C:11])-[C:8]=[O:9].[N:5](-[C:6])-[O:7]	1	2150
+[N:1]=[C:2](-[C:3](=[O:4])-[N:8](-[O:7])-[C:9])-[C:5]=[O:6]>>[N:1]=[C:2](-[C:3](=[O:4])-[O:10]-[C:11])-[C:5]=[O:6].[O:7]-[N:8]-[C:9]	1	2151
+[N:1]=[C:2](-[C:3](=[O:4])-[O:11])-[c:5]:1:[c:6]:[s:7]:[c:8](-[N:9]):[n:10]:1>>[S:7]=[C:8](-[N:9])-[N:10].[N:1]=[C:2](-[C:3](=[O:4])-[O:11])-[C:5](-[C:6])=[O:12]	1	2152
+[N:1]=[C:2](-[C:3](=[O:6])-[N:8](-[O:7])-[C:9])-[C:4]=[O:5]>>[O:7]-[N:8]-[C:9].[N:1]=[C:2](-[C:3](=[O:6])-[O:10]-[C:11])-[C:4]=[O:5]	1	2153
+[N:1]=[C:2](-[C:3])-[N:4]-[O:5]>>[N:1]-[C:2](-[C:3])=[O:6].[N:4]-[O:5]	1	2154
+[N:1]=[C:2](-[N:3](-[C:4])-[C:5])-[S:7]-[C:6]>>[N:1]=[C:2]=[S:7].[C:6]-[I:8].[N:3](-[C:4])-[C:5]	1	2155
+[N:1]=[C:2](-[S:3]-[C:4])-[N:5](-[C:6])-[C:7]>>[N:1]=[C:2]=[S:3].[C:4]-[I:8].[N:5](-[C:6])-[C:7]	1	2156
+[N:1]=[C:2](-[S:3]-[C:4])-[N:5](-[C:6])-[C:7]>>[N:1]=[C:2]=[S:3].[N:5](-[C:6])(-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14].[C:4]-[I:15]	1	2157
+[N:1]=[C:2](-[c:3](:[c:4]:[n:5]):[n:6])-[N:7]-[O:8]>>[N:7]-[O:8].[N:1]-[C:2](-[c:3](:[c:4]:[n:5]):[n:6])=[O:9]	1	2158
+[N:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8])-[C:9]=[O:10]>>[C:4]-[Mg+:11].[C:5](-[O:12]-[C:13])(-[O:14]-[C:15])-[N:16](-[C:17])-[C:19].[N:1]=[C:2](-[C:3](=[O:18])-[O:20]-[C:21])-[C:9]=[O:10].[N:6]-[N:7]-[c:8]	1	2159
+[N:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8])-[C:9]=[O:10]>>[C:4]-[Mg+:11].[C:5](-[O:12]-[C:13])(-[O:14]-[C:15])-[N:16](-[C:17])-[C:20].[N:1]=[C:2](-[C:3](=[O:18])-[O:19])-[C:9]=[O:10].[N:6]-[N:7]-[c:8]	1	2160
+[N:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8])-[C:9]=[O:10]>>[C:4]-[Mg+:19].[C:5](-[O:11]-[C:12])(-[O:13]-[C:14])-[N:15](-[C:16])-[C:17].[N:1]=[C:2](-[C:3](=[O:18])-[N:20](-[O:21]-[C:22])-[C:23])-[C:9]=[O:10].[N:6]-[N:7]-[c:8]	1	2161
+[N:1]=[C:2]-1-[N:3]-[C:4]-[C:5]-[O:6]-1>>[N:3]-1(-[C:4]-[C:5]-[O:6]-[C:8]-1(-[C:9])-[C:10])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[N:1]#[C:2]-[Br:7]	1	2162
+[N:1]=[C:2]-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[N:9]>>[N:1]=[C:2]-[C:3](=[O:4])-[O:10]-[C:11]-[C:12].[N:5]-[C:6]-[C:7](=[O:8])-[N:9]	2	2163,2164
+[N:1]=[C:2]-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[N:9]>>[N:1]=[C:2]-[C:3](=[O:4])-[O:10].[N:5](-[C:6]-[C:7](=[O:8])-[N:9])-[C:11](=[O:12])-[C:13]-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1	2	2165,2166
+[O:1](-[C:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[Si:9](-[C:8])(-[C:10])-[C:11]>>[O:1]=[C:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[O:12]-[C:13]-[C:14].[C:8]-[Si:9](-[C:10])(-[C:11])-[Cl:15]	1	2167
+[O:1]-[B:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[O:1]-1-[B:2](-[O:3]-[C:10](-[C:8]-1(-[C:7])-[C:9])(-[C:11])-[C:12])-[B:13]-2-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18](-[O:19]-2)(-[C:20])-[C:21].[c:4](:[c:5])(:[c:6])-[Br:22]	1	2168
+[O:1]-[B:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[O:1]-[B:2](-[O:3]-[C:7])-[O:8]-[C:9].[c:4](:[c:5])(:[c:6])-[Br:10]	1	2169
+[O:1]-[B:2](-[c:3](:[c:4]):[c:5])-[O:6]>>[O:1]-[B:2](-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15].[c:3](:[c:4])(:[c:5])-[O:16]	1	2170
+[O:1]-[B:2](-[c:3](:[c:4]):[c:5])-[O:6]>>[O:1]-[B:2](-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15].[c:3](:[c:4]):[c:5]	1	2171
+[O:1]-[B:2](-[c:3](:[c:4]):[c:5])-[O:6]>>[c:3](:[c:4]):[c:5].[O:1]-[B:2](-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15]	1	2172
+[O:1]-[C:2](-[C:3](=[O:4])-[O:5]-[C:6])-[C:7](-[O:8])-[c:9]>>[O:5]-[C:6].[C:7](=[O:8])-[c:9].[O:1]-[C:2]-[C:3](=[O:4])-[N:22]-1-[C:11](=[O:10])-[O:12]-[C:13]-[C:14]-1-[C:15]-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	1	2173
+[O:1]-[C:2](-[C:3])-[C:4]>>[O:1]-1-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[C:7]-1	3	2174,2175,2176
+[O:1]-[C:2](-[C:3]-[N:4](-[C:5])-[C:6])-[C:7]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2](-[C:3]-[Br:8])-[C:7]	1	2177
+[O:1]-[C:2](-[C:3]-[N:4](-[C:5])-[C:6])=[C:7]-[C:8]>>[N:4](-[C:5])-[C:6].[O:1]-[C:2](-[C:3]-[O:9])=[C:7]-[C:8]	1	2178
+[O:1]-[C:2](-[C:3]-[O:4]-[c:5])-[c:6]>>[O:4]-[c:5].[O:1]=[C:2](-[C:3]-[Br:7])-[c:6]	1	2179
+[O:1]-[C:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[O:1]=[C:2](-[C:6])-[N:7](-[O:8]-[C:9])-[C:10].[c:3](:[c:4])(:[c:5])-[Br:11]	1	2180
+[O:1]-[C:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[O:1]=[C:2](-[C:6])-[O:8].[c:3](:[c:4])(:[c:5])-[Br:7]	1	2181
+[O:1]-[C:2](-[c:3](:[c:4]):[c:5])-[c:6](:[c:7]):[n:8]>>[O:1]-[C:2]-[c:6](:[c:7]):[n:8].[c:3](:[c:4])(:[c:5])-[Mg:9]-[Br:10]	1	2182
+[O:1]-[C:2](-[c:3](:[c:4]):[c:5])-[c:6](:[c:7]):[n:8]>>[O:1]=[C:2](-[c:6](:[c:7]):[n:8])-[O:9]-[C:10]-[C:11].[c:3](:[c:4])(:[c:5])-[Mg:12]-[Br:13]	1	2183
+[O:1]-[C:2](-[c:3])-[C:4](-[F:5])(-[F:6])-[F:7]>>[C:4](-[F:5])(-[F:6])(-[F:7])-[Si:10](-[C:11])(-[C:12])-[C:13].[O:1]=[C:2](-[c:3])-[O:8]-[C:9]	1	2184
+[O:1]-[C:2](-[c:3])-[C:4](-[F:5])(-[F:6])-[F:7]>>[C:4](-[F:5])(-[F:6])(-[F:7])-[Si:8](-[C:9])(-[C:10])-[C:11].[O:1]-[C:2]-[c:3]	1	2185
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:7])-[C:8](=[O:9])-[c:10]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:7].[C:8](=[O:9])(-[c:10])-[O:11]	1	2186
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])(-[C:6])-[O:7]-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5])(-[C:6])-[Br:9].[O:7](-[c:8])-[C:10]	2	2187,2188
+[O:1]-[C:2](=[O:3])-[C:4](-[Cl:5])-[C:6]-[c:7](:[c:8]):[c:9]>>[c:7](:[c:8])(:[c:9])-[N+:10](=[O:11])-[O-:12].[O:1]-[C:2](=[O:3])-[C:4]=[C:6].[Cl:5]	1	2189
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5]-[c:6])-[C:7]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:7])-[Br:8].[O:5](-[c:6])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	2190
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[N:6]-[C:7])-[C:8]=[O:9]>>[N:6]-[C:7].[O:1]-[C:2](=[O:3])-[C:4]-[C:8]=[O:9].[C:5](-[O:12]-[C:11]-[C:10])(-[O:13]-[C:14]-[C:15])-[O:16]-[C:17]-[C:18]	1	2191
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6])-[C:7]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:7])-[P:8](-[O:9]-[C:10]-[C:11])(=[O:12])-[O:13]-[C:14]-[C:15].[C:5](-[c:6])(=[O:16])-[O:17]-[C:18]	1	2192
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])-[C:7]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:13].[C:5](-[C:6])(-[C:7])=[O:14]	1	2193
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])(-[O:15])=[O:16]	1	2194
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])-[O:15]	1	2195
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])=[O:15]	1	2196
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]>>[C:4](-[C:5])-[Br:7].[C:2]#[N:6].[O:1].[O:3]	1	2197
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:9]-[C:10].[O:1]-[C:2](=[O:3])-[C:4]-[N:5]	1	2198
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:9].[O:1]-[C:2](=[O:3])-[C:4]-[N:5]	1	2199
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[C:8])-[O:9]	1	2200
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[C:8])-[O:9]-[C:10]-[C:11]	1	2201
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[C:6](=[O:7])(-[c:8])-[O:9]-[C:10].[O:1]-[C:2](=[O:3])-[C:4]-[N:5]	2	2202,2203
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8])-[O:9]-[C:10]	1	2204
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:7].[N+:5](-[c:6])(=[O:8])-[O-:9]	1	2205
+[O:1]-[C:2](=[O:3])-[C:4]-[O:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:7].[O:5](-[c:6])-[C:8]	2	2206,2207
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]:[c:7]:[n:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:9](-[O:10]-[C:11]-[C:12])(=[O:13])-[O:14]-[C:15]-[C:16].[C:5](-[c:6]:[c:7]:[n:8])(=[O:17])-[O:18]-[C:19]	1	2208
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]:[c:7]:[n:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:9](-[O:10]-[C:11]-[C:12])(=[O:13])-[O:14]-[C:15]-[C:16].[C:5](-[c:6]:[c:7]:[n:8])-[O:17]	1	2209
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])(-[O:15])=[O:16]	1	2210
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])-[O:15]	1	2211
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:17](-[O:18]-[C:19](-[C:20])(-[C:21])-[C:22])=[O:23].[O:1]-[C:2](=[O:3])-[O:7]-[c:8]:1:[c:9]:[c:10]:[c:11](-[N+:12](=[O:13])-[O-:14]):[c:15]:[c:16]:1	1	2212
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[O:1]-[C:2](=[O:3])-[Cl:7]	1	2213
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[O:1]-[C:2](=[O:3])-[Cl:7].[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	4	2214,2215,2216,2217
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[O:1]-[C:2](=[O:3])-[Cl:7].[N:4](-[C:5])(-[C:6])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	2218
+[O:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]>>[N:4]#[C:5]-[C:6].[O:1]-[C:2](=[O:3])-[Cl:7]	1	2219
+[O:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]>>[O:1]-[C:2](=[O:3])-[Cl:7].[N:4]#[C:5]-[C:6]	1	2220
+[O:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N:4](-[C:5])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	2	2221,2222
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[c:7]>>[O:1]-[C:2](=[O:3])-[Cl:8].[N+:4](=[O:9])(-[O-:10])-[O:11].[c:5](:[c:6]):[c:7]	2	2223,2224
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:7])-[O-:8].[O:1]-[C:2](=[O:3])-[Cl:6]	2	2225,2226
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	5	2227,2228,2229,2230,2231
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:7]:[c:8](:[c:9]):[n:12]:1:[c:11]:[c:10]>>[N+:7](-[c:8](:[c:9]):[n:12]:[c:11]:[c:10])(=[O:15])-[O-:16].[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[C:6])=[O:13])-[Cl:14]	1	2232
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[Cl:6]):[c:7](:[c:8]):[c:10](:[c:9]):[n:11]:[c:12]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:17])-[O:18]-[C:19]-[C:20])=[C:12]-[O:21]-[C:22]-[C:23].[Cl:6]-[P:14](-[Cl:13])(=[O:15])-[Cl:16].[c:7](:[c:8]):[c:10](:[c:9])-[N:11]	1	2233
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7](-[C:8]):[s:10]:1)-[C:9]>>[C:6](-[C:7](-[C:8])=[O:12])-[C:9].[O:1]-[C:2](=[O:3])-[C:4]-[S:10].[C:5](=[O:11])-[N:13](-[C:14])-[C:15]	1	2234
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:1>>[O:1]-[C:2](=[O:3])-[C:4](=[O:11])-[O:14]-[C:15]-[C:16].[C:5]-[c:6](:[c:7]):[c:9](:[c:8])-[N+:10](=[O:12])-[O-:13]	1	2235
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[n:6](-[C:7]):[c:8](-[c:9]):[c:10]:1>>[N:5]-[N:6]-[C:7].[O:1]-[C:2](=[O:3])-[C:4](=[O:11])-[O:13]-[C:14]-[C:15].[C:8](-[c:9])(-[C:10])=[O:12]	1	2236
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[o:6]:[c:7](-[C:8]):[c:9]:1>>[C:7](-[C:8])(-[C:9])=[O:11].[O:1]-[C:2](=[O:3])-[C:4](=[O:10])-[O:12]-[C:13]-[C:14].[N:5]-[O:6]	1	2237
+[O:1]-[C:2]-1-[C:3](=[O:4])-[N:5](-[C:6]-[C:7](=[O:8])-[N:9])-[C:11]-1(-[c:10])-[c:12]>>[O:1]-[C:2]-[C:3](=[O:4])-[O:13]-[C:14]-[C:15].[N:5](-[C:6]-[C:7](=[O:8])-[N:9])=[C:11](-[c:10])-[c:12]	1	2238
+[O:1]-[C:2]-1=[C:3](-[c:4])-[C:5](=[O:6])-[N:7]-[C:8]-1>>[O:1]=[C:2](-[C:8]-[N:7])-[O:10]-[C:9].[C:3](-[c:4])-[C:5](=[O:6])-[Cl:11]	1	2239
+[O:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6](-[C:7](-[C:8])-[C:9](=[O:10])-[O:13])-[N:11]=[C:12]-1>>[C:7](-[C:8])(-[C:9](=[O:10])-[O:13])-[Br:14].[O:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[N:6](-[N:11]=[C:12]-1)-[C:16]-2-[C:17]-[C:18]-[C:19]-[C:20]-[O:21]-2)-[Cl:15]	1	2240
+[O:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6](-[C:7](-[C:8])-[C:9](=[O:10])-[O:13])-[N:11]=[C:12]-1>>[C:7](-[C:8])(-[C:9](=[O:10])-[O:13])-[Br:15].[O:1]-[c:2]:1:[c:3](:[c:4](-[O:5]):[n:6]:[n:11]:[c:12]:1)-[Cl:14]	1	2241
+[O:1]-[C:2]-[C:3](-[F:4])(-[F:5])-[c:6](:[n:7]:[c:8]:[c:9]):[c:10]>>[O:1]=[C:2](-[C:3](-[F:4])(-[F:5])-[Br:14])-[O:13]-[C:12]-[C:11].[c:6](:[n:7]:[c:8]:[c:9])(:[c:10])-[Br:15]	1	2242
+[O:1]-[C:2]-[C:3]-[C:4]-[C:5]>>[O:1]=[C:2](-[C:3]=[C:4]-[C:5])-[O:8]-[C:7]-[C:6]	1	2243
+[O:1]-[C:2]-[C:3]-[C:4]-[c:5]>>[O:1]=[C:2](-[C:3]=[C:4]-[c:5])-[O:8]-[C:7]-[C:6]	1	2244
+[O:1]-[C:2]-[C:3]-[O:4]-[C:5]>>[O:1]-[C:2](-[C:3]-[Cl:7])=[O:6].[O:4]-[C:5]	1	2245
+[O:1]-[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])=[O:25].[O:1]-[O:5].[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	1	2246
+[O:1]-[C:2]-[C:3]>>[O:1](-[C:2](-[C:3])=[O:5])-[C:4]	2	2247,2248
+[O:1]-[C:2]-[C:3]>>[O:1](-[C:2](-[C:3])=[O:6])-[C:5]-[C:4]	1	2249
+[O:1]-[C:2]-[C:3]>>[O:1]-[C:2](-[C:3])-[C:4]-[O:5]	1	2250
+[O:1]-[C:2]-[C:3]>>[O:1]-[C:4]-[C:5].[C:2](-[C:3])#[N:6]	1	2251
+[O:1]-[C:2]-[C:3]>>[O:1]=[C:2](-[C:3])-[O:4]	1	2252
+[O:1]-[C:2]-[C:3]>>[O:1]=[C:2](-[C:3])-[O:4]-[C:5]-[C:6]	1	2253
+[O:1]-[C:2]-[O:3]-[C:4]-[c:5]>>[O:1]-[C:2]-[Cl:6].[O:3]=[C:4]-[c:5]	1	2254
+[O:1]-[C:2]-[O:3]-[c:4]>>[O:1]-[C:2]-[Cl:5].[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	2255
+[O:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[O:1]=[C:2](-[c:3](:[n:4]):[c:5])-[O:6]	1	2256
+[O:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[O:1]=[Se:6]=[O:7].[C:2]-[c:3](:[n:4]):[c:5]	1	2257
+[O:1]-[C:2]-[c:3]:1:[n:4]:[c:5](-[c:6]):[n:7]:[s:8]:1>>[O:1]=[C:2](-[C:3]#[N:4])-[O:11]-[C:10]-[C:9].[C:5]-1(-[c:6])=[N:7]-[S:8]-[C:12](=[O:13])-[O:14]-1	1	2258
+[O:1]-[C:2]-[c:3]:1:[n:4]:[c:5](-[c:6]):[n:7]:[s:8]:1>>[S:8](-[C:13](=[O:12])-[Cl:15])-[Cl:16].[O:1]=[C:2](-[C:3]#[N:4])-[O:11]-[C:10]-[C:9].[C:5](-[c:6])(-[N:7])=[O:14]	1	2259
+[O:1]-[C:2]-[c:3]:1:[n:4]:[o:5]:[c:6](-[c:7]):[c:8]:1>>[O:1]=[C:2](-[C:3](-[C:8]-[C:6](-[c:7])=[O:12])=[O:13])-[O:11]-[C:10]-[C:9].[N:4]-[O:5]	1	2260
+[O:1]-[C:2]-[c:3]:1:[n:4]:[o:5]:[c:6](-[c:7]):[c:8]:1>>[O:1]=[C:2](-[C:3](=[O:12])-[O:14]-[C:15]-[C:16])-[O:11]-[C:10]-[C:9].[C:6](-[c:7])(-[C:8])=[O:13].[N:4]-[O:5]	1	2261
+[O:1]-[C:2]-[c:3]>>[O:1](-[C:2](-[c:3])=[O:4])-[C:5]-[C:6]	1	2262
+[O:1]-[C:2]-[c:3]>>[O:1](-[C:2](-[c:3])=[O:5])-[C:4]	3	2263,2264,2265
+[O:1]-[C:2]-[c:3]>>[O:1]-1-[C:2](-[c:3])-[O:4]-[C:5]-[C:6]-1	1	2266
+[O:1]-[C:2]-[c:3]>>[O:1].[C:2]-[c:3]	1	2267
+[O:1]-[C:2]-[c:3]>>[O:1]=[C:2](-[c:3])-[O:4]	2	2268,2269
+[O:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]-[C:7](=[O:8])-[C:9](=[O:10])-[N:11]-[S:12]>>[C:4](=[O:5])(-[C:6]=[C:7]-1-[O:8]-[C:14](-[C:13])(-[C:15])-[O:16]-[C:9]-1=[O:10])-[Cl:17].[N:11]-[S:12].[O:1]-[N:2]-[C:3]	1	2270
+[O:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[O:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6])-[O:7]-[C:8]-[C:9]	1	2271
+[O:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[n:7]):[c:8]>>[C:4](=[O:5])(-[c:6](:[n:7]):[c:8])-[O:9]-[C:10]-[C:11].[O:1]-[N:2]-[C:3]	1	2272
+[O:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[C:7]=[C:8](-[O:9])-[C:10]>>[C:5](=[O:6])(-[C:7]=[C:8](-[O:9])-[C:10])-[Cl:11].[O:1]-[N:2]=[C:3]-[c:4]	1	2273
+[O:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[O:1]-[N:2].[C:3](-[C:4])(-[C:5])=[O:6]	1	2274
+[O:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[O:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8]	1	2275
+[O:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[O:1]-[N:2].[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9]	1	2276
+[O:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[O:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7]	1	2277
+[O:1]-[N:2]-[C:3]-[C:4]>>[O:1]-[N:2].[C:3](-[C:4])=[O:5]	1	2278
+[O:1]-[N:2]-[C:3]-[c:4]>>[O:1]-[N:2].[C:3](-[c:4])=[O:5]	1	2279
+[O:1]-[N:2]=[C:3](-[C:4])-[c:7](:[c:5]):[c:6]>>[C:3](-[C:4])(=[O:8])-[O:9].[c:5]:[c:7]:[c:6].[O:1]-[N:2]	1	2280
+[O:1]-[N:2]=[C:3](-[C:4]-[Br:5])-[c:6](:[n:7]):[c:8]>>[Br:5].[O:1]-[N:2].[C:3](-[C:4])(-[c:6](:[n:7]):[c:8])=[O:9]	1	2281
+[O:1]-[N:2]=[C:3](-[c:4])-[Cl:6]>>[C:3](-[c:4])=[O:5].[Cl:6]-[N:7]-1-[C:8](=[O:9])-[C:10]-[C:11]-[C:12]-1=[O:13].[O:1]-[N:2]	1	2282
+[O:1]-[N:2]=[C:3]-[C:4]>>[O:1]-[N:2].[C:3](-[C:4])(=[O:5])-[N:6](-[O:7]-[C:8])-[C:9]	1	2283
+[O:1]-[N:2]=[C:3]-[C:4]>>[O:1]-[N:2].[C:3](-[C:4])-[O:5]	2	2284,2285
+[O:1]-[N:2]=[C:3]-[c:4]>>[O:1]-[N:2].[C:3](-[c:4])-[O:5]	1	2286
+[O:1]-[c:2](:[c:3]):[c:4]>>[O:1]-[C:5].[c:2](:[c:3])(:[c:4])-[F:6]	1	2287
+[O:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[N+:5](=[O:6])-[O-:7].[O:1]	1	2288
+[O:1]-[c:2](:[c:3]):[n:6]:[c:5]:[c:4]>>[O:1]=[C:8](-[O:9]-[C:10](-[C:11])=[O:12])-[C:13].[c:2](:[c:3]):[n+:6](:[c:5]:[c:4])-[O-:7]	1	2289
+[O:1]-[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[O:1]-[C:7].[c:2](:[n:3]:[c:4]:[c:5])(:[c:6])-[Cl:8]	1	2290
+[O:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[n:6]:[n:7]:[c:8]:1>>[O:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[N:6](-[N:7]=[C:8]-1)-[C:10]-2-[C:11]-[C:12]-[C:13]-[C:14]-[O:15]-2)-[Cl:9]	1	2291
+[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:2:[c:7]:1:[c:8]:[c:10](:[c:9]):[n:11]:2-[C:12]-[c:13]>>[C:12](-[c:13])-[Br:14].[O:1]=[C:2]-1-[C:3]-[C:4]-[C:5]-[c:6]:2:[c:7]-1:[c:8]:[c:10](:[c:9]):[n:11]:2	1	2292
+[O:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[c:10]:1-[c:11]>>[O:1]=[C:2](-[C:10]-[c:11])-[Cl:14].[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[O:13]-[C:12]	1	2293
+[O:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[c:10]:1-[c:11]>>[O:1]=[C:2](-[C:10]-[c:11])-[O:14].[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[O:13]-[C:12]	1	2294
+[O:1]-[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6]:2:[c:7]:1:[n:8]:[c:9]:[c:10]:[c:11]:2>>[C:4](-[O:14]-[C:15]-[C:16])(-[O:17]-[C:18]-[C:19])-[O:20]-[C:21]-[C:22].[O:1]=[C:2](-[N:3])-[c:7]:1:[c:6](-[N+:5](=[O:12])-[O-:13]):[c:11]:[c:10]:[c:9]:[n:8]:1	1	2295
+[O:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[n:9]:[c:10]:1:2>>[O:1]-[N:2].[C:3](-[N:4]-[c:5]:1:[c:6]:[n:7]:[c:8]:[n:9]:[c:10]:1-[Cl:12])=[O:11]	1	2296
+[O:1]=[C:2](-[C:3](-[c:4](:[c:5]):[c:6])-[c:7])-[N:8]>>[c:4](:[c:5]):[c:6].[O:1]=[C:2](-[C:3](-[c:7])=[O:9])-[N:8]	1	2297
+[O:1]=[C:2](-[C:3])-[C:4]>>[O:1](-[C:2](-[C:3])-[C:4])-[Si:5](-[C:6](-[C:7])(-[C:8])-[C:9])(-[C:10])-[C:11]	1	2298
+[O:1]=[C:2](-[C:3])-[Cl:4]>>[Cl:4]-[S:5](-[Cl:9])=[O:10].[O:1]=[C:2](-[C:3])-[O:6]-[C:7]-[C:8]	1	2299
+[O:1]=[C:2](-[C:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[O:1]=[C:2](-[C:3])-[O:8]-[C:9]	1	2300
+[O:1]=[C:2](-[C:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[O:1]=[C:2](-[C:3])-[O:8]-[C:9]-[C:10]	1	2301
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[O:1]=[C:2](-[C:3])-[Cl:7]	1	2302
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[O:1]=[C:2](-[C:3])-[Cl:7]	1	2303
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2](-[C:3])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]	1	2304
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+[O:1]=[C:2](-[N:3]-[c:4](:[c:5]):[n:6])-[N:7](-[C:8])-[C:9]>>[N:3]-[c:4](:[c:5]):[n:6].[N:7](-[C:8])-[C:9].[O:1]=[C:2](-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:1)-[Cl:17]	1	2397
+[O:1]=[C:2](-[N:3]-[c:4](:[c:5]:[n:6]):[c:8]:[n:7])-[C:9]>>[O:1]=[C:2](-[C:9])-[O:10].[N+:3](-[c:4](:[c:5]:[n:6]):[c:8]:[n:7])(=[O:11])-[O-:12]	1	2398
+[O:1]=[C:2](-[N:3]-[c:4](:[c:5]:[n:6]):[c:8]:[n:7])-[c:9]>>[O:1]=[C:2](-[c:9])-[Cl:10].[N+:3](-[c:4](:[c:5]:[n:6]):[c:8]:[n:7])(=[O:11])-[O-:12]	1	2399
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[c:6])-[C:7]>>[N+:3](-[c:4](:[n:5]):[c:6])(=[O:9])-[O-:10].[O:1]=[C:2](-[C:7])-[O:8]	1	2400
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[c:6])-[C:7]>>[N:3]-[c:4](:[n:5]):[c:6].[O:1]=[C:2](-[C:7])-[O:8]-[C:9]	2	2401,2402
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+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[s:6])-[C:7]>>[O:1]=[C:2](-[C:7])-[O:8]-[C:9].[N:3]-[c:4](:[n:5]):[s:6]	4	2404,2405,2406,2407
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+[O:1]=[C:2](-[N:3]-[c:4])-[C:5]>>[O:1]=[C:2](-[C:5])-[Cl:6].[N+:3](-[c:4])(=[O:7])-[O-:8]	1	2410
+[O:1]=[C:2](-[N:3]-[c:4])-[C:5]>>[O:1]=[C:2](-[C:5])-[O:6]-[C:7]-[C:8].[N:3]-[c:4]	2	2411,2412
+[O:1]=[C:2](-[N:3]-[c:4])-[C:5]>>[O:1]=[C:2](-[C:5])-[O:6].[N:3]-[c:4]	1	2413
+[O:1]=[C:2](-[N:3]-[c:4])-[N:5](-[C:6])-[C:10](-[c:9](:[c:7]):[c:8])-[c:11]>>[C:10](-[c:11])(=[O:12])-[Cl:13].[N:5]-[C:6].[c:7]:[c:9]:[c:8].[O:1]=[C:2]=[N:3]-[c:4]	1	2414
+[O:1]=[C:2](-[N:3]-[c:4])-[N:5](-[C:6])-[C:10](-[c:9](:[c:7]):[c:8])-[c:11]>>[N:5](-[C:6])-[C:10](-[c:11])=[O:12].[c:7]:[c:9]:[c:8].[O:1]=[C:2]=[N:3]-[c:4]	1	2415
+[O:1]=[C:2](-[N:3]-[c:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[O:1]=[C:2]=[N:3]-[c:4]	1	2416
+[O:1]=[C:2](-[N:3]-[c:4])-[N:5](-[C:6])-[C:8](-[c:7])-[c:9]>>[N:5](-[C:6])=[C:8](-[c:7])-[c:9].[O:1]=[C:2]=[N:3]-[c:4]	1	2417
+[O:1]=[C:2](-[N:3]-[c:4])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:7])-[O-:8].[O:1]=[C:2]=[N:3]-[c:4]	1	2418
+[O:1]=[C:2](-[N:3]-[c:4])-[O:5]-[C:6]>>[O:5]-[C:6].[N:3]-[c:4].[O:1]=[C:2](-[O:7]-[C:8](-[Cl:9])(-[Cl:10])-[Cl:11])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16]	1	2419
+[O:1]=[C:2](-[N:3]-[c:4])-[O:5]>>[O:1]=[C:2](-[O:5])-[Cl:6].[N+:3](-[c:4])(=[O:7])-[O-:8]	1	2420
+[O:1]=[C:2](-[N:3]-[c:4])-[O:7]-[C:5]=[O:6]>>[O:1]=[C:2](-[O:8]-[C:9](-[Cl:10])(-[Cl:11])-[Cl:12])-[Cl:13].[N+:3](-[c:4])(=[O:14])-[O-:15].[C:5](=[O:6])-[O:7]	1	2421
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+[O:1]=[C:2](-[N:3]-[c:4])-[c:5](:[c:6]):[o:7]>>[O:1]=[C:2](-[c:5](:[c:6]):[o:7])-[Cl:8].[N+:3](-[c:4])(=[O:9])-[O-:10]	1	2423
+[O:1]=[C:2](-[N:3]-[c:4])-[c:5](:[n:6]):[c:8]:[n:7]>>[O:1]=[C:2](-[c:5](:[n:6]):[c:8]:[n:7])-[O:9]-[C:10].[N:3]-[c:4]	1	2424
+[O:1]=[C:2](-[N:3]-[c:4])-[c:5]>>[N+:3](-[c:4])(=[O:7])-[O-:8].[O:1]=[C:2](-[c:5])-[Cl:6]	2	2425,2426
+[O:1]=[C:2](-[N:3]-[c:4])-[c:5]>>[N:3](-[c:4])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[O:1]=[C:2](-[c:5])-[Cl:6]	2	2427,2428
+[O:1]=[C:2](-[N:3]-[c:4])-[c:5]>>[N:3]-[c:4].[O:1]=[C:2](-[c:5])-[O:6]	1	2429
+[O:1]=[C:2](-[N:3]-[c:4])-[c:5]>>[O:1]=[C:2](-[c:5])-[Cl:6].[N+:3](-[c:4])(=[O:7])-[O-:8]	1	2430
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+[O:1]=[C:2](-[N:3]-[c:4])-[c:5]>>[O:1]=[C:2](-[c:5])-[O:6].[N+:3](-[c:4])(=[O:7])-[O-:8]	1	2432
+[O:1]=[C:2](-[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)-[c:9]>>[O:1]=[C:2](-[c:9])-[O:10].[N+:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)(=[O:11])-[O-:12]	1	2433
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+[O:1]=[C:2](-[O:3])-[C:4](-[O:5])=[C:7](-[C:6])-[O:8]>>[O:1]-[C:2]-[C:4](-[O:5])=[C:7](-[C:6])-[O:8].[O:3]-[C:9](-[C:10]-1=[C:11](-[C:12](-[C:13]=[C:14](-[C:15](-[N:16])-[S:17](=[O:18])(=[O:19])-[c:20]:2:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:2)-[O:26]-1)=[O:27])-[O:28]-[C:29]-[c:30]:3:[c:31]:[c:32]:[c:33]:[c:34]:[c:35]:3)=[O:36]	1	2435
+[O:1]=[C:2](-[O:3])-[C:4]-[C:5]-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1>>[O:1]=[C:2](-[O:3])-[C:4]-[C:11](-[O:12]-[C:13]-[C:14])=[O:15].[C:5](-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1)-[O:16]	1	2436
+[O:1]=[C:2](-[O:3])-[C:4]-[N:5](-[C:6])-[C:7]>>[O:1]=[C:2](-[O:3])-[C:4]-[Br:8].[N:5](-[C:6])(-[C:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15]	1	2437
+[O:1]=[C:2](-[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]-1=[C:9](-[O:10])-[c:11]:2:[c:12]:[c:13]:[c:14]:[n:15]:2-[N:16]-[C:17]-1=[O:18]>>[C:6](=[O:7])(-[C:8](-[C:9](=[O:10])-[O:22]-[C:23]-[C:24])-[C:25](-[O:26]-[C:27]-[C:28])=[O:29])-[O:21]-[C:20]-[C:19].[c:11]:1:[c:12]:[c:13]:[c:14]:[n:15]:1-[N:16]-[C:17](=[O:18])-[O:30]-[C:31](-[C:32])(-[C:33])-[C:34].[O:1]=[C:2](-[O:3])-[C:4]-[N:5]	1	2438
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+[O:1]=[C:2](-[O:3]-[C:12]-[C:11])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]:[c:9]:[n:10]>>[O:1]=[C:2](-[O:3])-[C:4]-[N:5]-[C:12]-[C:11].[C:6](=[O:7])(-[c:8]:[c:9]:[n:10])-[O:13]-[C:14]	1	2448
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+[O:1]=[C:2](-[c:3](:[c:4]):[n:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])(-[C:8])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[O:1]=[C:2](-[c:3](:[c:4]):[n:5])-[O:9]	1	2450
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+[O:1]=[C:2]-1-[c:3]:[c:4]-[N:5]=[C:6](-[C:7])-[N:8]-1-[c:9]>>[C:6](-[C:7])(=[O:11])-[Cl:12].[O:1]=[C:2](-[c:3]:[c:4]-[N:5])-[O:10].[N:8]-[c:9]	1	2479
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+[O:1]=[C:2]-[C:3]-[C:4]>>[O:1]-[C:3]-[C:4].[C:2](-[O:5]-[C:6])-[P+:7](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	1	2481
+[O:1]=[C:2]-[C:3]-[N:4](-[C:5]-[C:6])-[C:7]>>[C:5](-[C:6])-[Br:9].[N:4]-[C:7].[O:1]=[C:2]-[C:3]-[Br:8]	1	2482
+[O:1]=[C:2]-[C:3]>>[O:1](-[C:2]-[C:3])-[Si:4](-[C:5](-[C:6])(-[C:7])-[C:8])(-[C:9])-[C:10]	1	2483
+[O:1]=[C:2]-[C:3]>>[O:1]-[C:2](-[C:3])=[O:4]	1	2484
+[O:1]=[C:2]-[C:3]>>[O:1]=[C:2](-[C:3])-[O:4]-[C:5]-[C:6]	1	2485
+[O:1]=[C:2]-[N:5](-[C:3]=[O:4])-[C:6]-[C:7]>>[C:6](-[C:7])-[O:8]-[Si:9](-[C:10](-[C:11])(-[C:12])-[C:13])(-[C:14])-[C:15].[O:1]=[C:2]-[N:5]-[C:3]=[O:4]	1	2486
+[O:1]=[C:2]-[N:5](-[C:3]=[O:4])-[C:6]-[C:7]>>[C:6](-[C:7])-[O:8].[O:1]=[C:2]-[N:5]-[C:3]=[O:4]	1	2487
+[O:1]=[C:2]-[O:3]-[C:4]-[c:5]>>[O:1]=[C:2]-[O:3]-[C:6]-[C:7].[C:4](-[c:5])-[Br:8]	1	2488
+[O:1]=[C:2]-[O:4]-[C:3]>>[C:3]-[I:7].[O:1]=[C:2]-[O:4]-[C:5]-[C:6]	1	2489
+[O:1]=[C:2]-[c:3](:[c:4]):[c:5]>>[C:2](=[C:6])-[Sn:11](-[C:12]-[C:13]-[C:14]-[C:15])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23].[c:3](:[c:4])(:[c:5])-[Br:24].[O:1]=[Os:7](=[O:8])(=[O:9])=[O:10]	1	2490
+[O:1]=[C:2]-[c:3](:[c:4]):[n:5]>>[O:1]=[C:2](-[c:3](:[c:4]):[n:5])-[O:6]-[C:7]-[C:8]	2	2491,2492
+[O:1]=[C:2]-[c:3](:[c:4]:[s:5]):[n:6]>>[O:1]=[C:2](-[c:3](:[c:4]:[s:5]):[n:6])-[O:7]-[C:8]-[C:9]	1	2493
+[O:1]=[C:2]-[c:3](:[n:4]):[c:5]>>[O:1]=[C:2](-[c:3](:[n:4]):[c:5])-[O:6]-[C:7]-[C:8]	2	2494,2495
+[O:1]=[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:2](=[C:12])-[Sn:13](-[C:14]-[C:15]-[C:16]-[C:17])(-[C:18]-[C:19]-[C:20]-[C:21])-[C:22]-[C:23]-[C:24]-[C:25].[O:1]=[Os:8](=[O:9])(=[O:10])=[O:11].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:26]	1	2496
+[O:1]=[C:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:13]:1:[c:12]:[c:8](:[c:7])-[c:9](:[c:10]):[c:11]>>[c:9](:[c:10])(:[c:11])-[Br:17].[O:1]=[C:2]-[N:14](-[C:15])-[C:16].[c:3]:1:[c:4]:[n:5]:[c:6]:[c:13]:1:[c:12]:[c:8](:[c:7])-[Br:18]	1	2497
+[O:1]=[C:2]-[c:3]:[c:4]:[n:5]>>[O:1](-[C:2]-[c:3]:[c:4]:[n:5])-[C:6](-[C:7])=[O:8]	1	2498
+[O:1]=[C:2]-[c:3]:[c:5]:[n:4]>>[O:1]=[C:2](-[c:3]:[c:5]:[n:4])-[O:6]-[C:7]-[C:8]	1	2499
+[O:1]=[C:2]-[c:3]>>[O:1]-[C:2](-[c:3])=[O:4]	1	2500
+[O:1]=[C:2]-[c:3]>>[O:1]=[C:2](-[c:3])-[O:4]	3	2501,2502,2503
+[O:1]=[C:2]-[c:3]>>[O:1]=[C:2](-[c:3])-[O:4]-[C:5]	1	2504
+[O:1]=[C:2]=[N:3]-[c:4]>>[O:1]=[C:2](-[Cl:5])-[Cl:6].[N+:3](-[c:4])(=[O:7])-[O-:8]	1	2505
+[O:1]=[C:2]=[N:3]-[c:4]>>[O:1]=[C:2](-[O:5]-[C:6](-[Cl:7])(-[Cl:8])-[Cl:9])-[Cl:10].[N+:3](-[c:4])(=[O:11])-[O-:12]	1	2506
+[O:1]=[S:2](-[C:3])-[C:4]-[C:5]>>[C:4](-[C:5])-[O:16]-[S:17](-[C:18])(=[O:19])=[O:20].[O:1]-[O:6]-[C:7](=[O:8])-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13](-[Cl:14]):[c:15]:1.[S:2]-[C:3]	1	2507
+[O:1]=[S:2](-[C:3]-[c:4](:[n:5]):[c:6])-[c:7]:1:[n:8]:[c:9](:[c:10](:[c:11]):[n:13]:1):[c:12]>>[C:3](-[c:4](:[n:5]):[c:6])-[Cl:24].[O:1]-[O:14]-[C:15](=[O:16])-[c:17]:1:[c:18]:[c:19]:[c:20]:[c:21](-[Cl:22]):[c:23]:1.[S:2]=[C:7]-1-[N:8]-[c:9](:[c:10](:[c:11])-[N:13]-1):[c:12]	1	2508
+[O:1]=[S:2](=[O:3])(-[N:4]-[C:5]-[c:6])-[C:7]>>[O:1]=[S:2](=[O:3])(-[C:7])-[Cl:8].[N:4]#[C:5]-[c:6]	1	2509
+[O:1]=[S:2](=[O:3])(-[N:4]-[c:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[O:1]=[S:2](=[O:3])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:10]-[S:11](=[O:12])(=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[N+:4](-[c:5])(=[O:18])-[O-:19]	1	2510
+[O:1]=[S:2](=[O:3])(-[N:4]-[c:5])-[c:6]>>[O:1]=[S:2](=[O:3])(-[c:6])-[Cl:7].[N+:4](-[c:5])(=[O:8])-[O-:9]	1	2511
+[O:1]=[S:2](=[O:3])(-[N:4]-[c:5]:[c:6]:[n:7])-[c:8]>>[O:1]=[S:2](=[O:3])(-[c:8])-[Cl:9].[N+:4](-[c:5]:[c:6]:[n:7])(=[O:10])-[O-:11]	2	2512,2513
+[O:1]=[S:2](=[O:3])(-[N:4]-[c:5]:[c:7]:[n:6])-[c:8]>>[N+:4](-[c:5]:[c:7]:[n:6])(=[O:10])-[O-:11].[O:1]=[S:2](=[O:3])(-[c:8])-[Cl:9]	1	2514
+[O:1]=[S:2](=[O:3])(-[O:4]-[c:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[O:4](-[c:5])-[C:18].[O:1]=[S:2](=[O:3])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:10]-[S:11](=[O:12])(=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17]	1	2515
+[O:1]=[S:2](=[O:3])(-[c:4](:[c:5]):[c:6])-[N:7](-[C:8])-[C:9]>>[N:7](-[C:8])-[C:9].[O:1]=[S:2](=[O:3])(-[Cl:10])-[O:11].[c:4](:[c:5]):[c:6]	1	2516
+[O:1]=[S:2](=[O:3])(-[c:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[O:1]=[S:2](=[O:3])(-[c:4])-[Cl:8]	1	2517
+[O:1]=[S:2](=[O:3])(-[c:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[O:1]=[S:2](=[O:3])(-[c:4])-[Cl:8]	1	2518
+[S:1]-[C:2](=[O:3])-[O:4]-[c:5]:1:[c:6](-[C:7](=[O:8])-[c:9]):[c:10]:[n:11]:[n:12]:1-[C:13]>>[S:1]-[C:2](=[O:3])-[Cl:14].[O:4]=[C:5]-1-[C:6]-[C:10]=[N:11]-[N:12]-1-[C:13].[C:7](=[O:8])(-[c:9])-[O:15]	1	2519
+[S:1]-[C:2](=[O:3])-[O:4]-[c:5]:1:[c:6](-[C:7](=[O:8])-[c:9]):[c:10]:[n:11]:[n:12]:1-[C:13]>>[S:1]-[C:2](=[O:3])-[Cl:14].[O:4]=[C:5]-1-[C:6]-[C:10]=[N:11]-[N:12]-1-[C:13].[C:7](=[O:8])(-[c:9])-[O:15]-[C:16]	1	2520
+[S:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6]-[C:7].[S:1]-[N:2]	2	2521,2522
+[S:1]-[c:2]:1:[c:3](-[C:4]):[n:5](-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2):[c:11](:[c:12]):[c:14]:1:[c:13]>>[S:1]-[C:2]-[C:3](-[C:4])=[O:15].[c:6]:1(:[c:7]:[n:8]:[n:9]:[c:10]:1)-[Br:17].[N:5](-[c:11](:[c:12]):[c:14]:[c:13])-[N:16]	1	2523
+[S:1]=[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)-[N:8]>>[N:8].[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)(=[O:9])-[O:31].[S:1]=[P:10]-1(-[S:11]-[P:12](-[c:13]:2:[c:14]:[c:15]:[c:16](-[O:17]-[C:18]):[c:19]:[c:20]:2)(=[S:21])-[S:22]-1)-[c:23]:3:[c:24]:[c:25]:[c:26](-[O:27]-[C:28]):[c:29]:[c:30]:3	1	2524
+[S:1]=[C:2]=[N:3]-[c:4]>>[N+:3](-[c:4])(=[O:15])-[O-:16].[S:1]=[C:2](-[n:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1)-[n:10]:2:[c:11]:[n:12]:[c:13]:[c:14]:2	1	2525
+[c:1](-[C:2]#[N:3]):[c:4]:[n:5]>>[N:3]-[O:6].[c:1](-[C:2]=[O:7]):[c:4]:[n:5]	1	2526
+[c:1](-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]):[c:7]:[n:8]>>[N:4](-[C:5])-[C:6].[c:1](-[C:2](=[O:3])-[O:9]-[C:10]):[c:7]:[n:8]	2	2527,2528
+[c:1](-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]):[c:7]:[n:8]>>[N:4](-[C:5])-[C:6].[c:1](-[C:2](=[O:3])-[O:9]-[C:10]-[C:11]):[c:7]:[n:8]	1	2529
+[c:1](-[C:2](=[O:3])-[N:4]-[C:5]):[c:6]:[n:7]>>[c:1](-[C:2](=[O:3])-[O:8]-[C:9]-[C:10]):[c:6]:[n:7].[N:4]-[C:5]	2	2530,2531
+[c:1](-[C:2](=[O:3])-[N:4]-[c:5]):[c:6]:[n:7]>>[c:1](-[C:2](=[O:3])-[O:8]-[C:9]-[C:10]):[c:6]:[n:7].[N:4]-[c:5]	1	2532
+[c:1](-[C:2]-[C:3]#[N:4]):[c:5]:[n:6]>>[c:1](-[C:2]):[c:5]:[n:6].[C:3]#[N:4]	1	2533
+[c:1](-[C:2]-[Cl:3]):[c:4]:[n:5]>>[Cl:3]-[S:6](=[O:7])-[Cl:8].[c:1](-[C:2](=[O:9])-[O:10]-[C:11]-[C:12]):[c:4]:[n:5]	2	2534,2535
+[c:1](-[C:2]-[Cl:5]):[c:3]:[n:4]>>[Cl:5]-[S:6](=[O:7])-[Cl:8].[c:1](-[C:2]=[O:9]):[c:3]:[n:4]	1	2536
+[c:1](-[C:2]-[N:3](-[C:4])-[C:5]):[c:6]:[n:7]>>[N:3](-[C:4])-[C:5].[c:1](-[C:2]):[c:6]:[n:7]	1	2537
+[c:1](-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]):[c:7]:[n:8]>>[C:4](=[O:5])(-[c:6])-[O:9].[c:1](-[C:2]#[N:3]):[c:7]:[n:8]	1	2538
+[c:1](-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]):[c:7]:[n:8]>>[c:1](-[C:2]#[N:3]):[c:7]:[n:8].[C:4](=[O:5])(-[c:6])-[O:9]	1	2539
+[c:1](-[C:2]-[O:3]):[c:4]:[n:5]>>[c:1](-[C:2](-[O:3]-[C:7])=[O:6]):[c:4]:[n:5]	1	2540
+[c:1](-[C:2]-[O:3]-[c:4]):[c:5]:[n:6]>>[c:1](-[C:2]-[O:7]):[c:5]:[n:6].[O:3]-[c:4]	1	2541
+[c:1](-[C:2]-[O:5]):[c:3]:[n:4]>>[c:1](-[C:2](-[O:5]-[C:7])=[O:6]):[c:3]:[n:4]	1	2542
+[c:1](-[C:2]=[O:3]):[c:4]:[n:5]>>[c:1](-[C:2](=[O:3])-[O:6]-[C:7]):[c:4]:[n:5]	1	2543
+[c:1](-[N:2]-1-[C:3]-[C:4]-[N:5]-[C:6]-1=[O:7]):[c:8]:[n:9]>>[C:3](-[C:4]-[N:5]=[C:6]=[O:7])-[Cl:10].[c:1](-[N:2]):[c:8]:[n:9]	1	2544
+[c:1](-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:8]:[n:7]):[c:9]:[n:10]>>[c:1](-[N+:2](=[O:11])-[O-:12]):[c:9]:[n:10].[C:3](=[O:4])(-[c:5](:[n:6]):[c:8]:[n:7])-[O:13]	1	2545
+[c:1](-[N:2]-[C:3](=[O:4])-[c:5]):[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5])-[Cl:10].[c:1](-[N+:2](=[O:8])-[O-:9]):[c:6]:[n:7]	1	2546
+[c:1](-[N:2]-[C:3]-[c:4]):[c:5]:[n:6]>>[C:3](-[c:4])=[O:9].[c:1](-[N+:2](=[O:7])-[O-:8]):[c:5]:[n:6]	1	2547
+[c:1](-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:7]:[n:8]:1):[c:9]):[c:10]:[n:11]>>[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:7]:[n:8]:1):[c:9])-[Cl:14].[c:1](-[N+:2](=[O:12])-[O-:13]):[c:10]:[n:11]	1	2548
+[c:1](-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7]):[c:10]:[n:11]>>[c:1](-[N+:2](=[O:12])-[O-:13]):[c:10]:[n:11].[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7])-[Cl:14]	1	2549
+[c:1](-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]):[c:8]:[n:9]>>[N:5](-[C:6])(-[C:7])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[c:1](-[S:2](=[O:3])(=[O:4])-[Cl:10]):[c:8]:[n:9]	1	2550
+[c:1](-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[o:7]:1):[c:8]:[n:9]>>[C:4](-[C:5])(=[N:6]-[O:7])-[Cl:14].[c:1](-[C:2]#[C:3]-[Si:10](-[C:11])(-[C:12])-[C:13]):[c:8]:[n:9]	1	2551
+[c:1](:[c:2](-[C:3](-[N:4])=[O:5]):[s:6]):[n:7]>>[N:4].[c:1](:[c:2](-[C:3](=[O:5])-[O:8]-[C:9]-[C:10]):[s:6]):[n:7]	1	2552
+[c:1](:[c:2](-[C:3](=[O:4])-[Cl:5]):[n:6]):[o:7]>>[Cl:5]-[C:8](-[C:9](=[O:10])-[Cl:11])=[O:12].[c:1](:[c:2](-[C:3](=[O:4])-[O:13]-[C:14]):[n:6]):[o:7]	1	2553
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]):[n:8]>>[N:5]-[C:6].[c:1](:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[n:7]):[n:8]	1	2554
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]):[n:8]>>[c:1](:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[n:7]):[n:8].[N:5]-[C:6]	1	2555
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[s:7]):[n:8]>>[N:5]-[C:6].[c:1](:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[s:7]):[n:8]	2	2556,2557
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[s:7]):[n:8]>>[c:1](:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[s:7]):[n:8].[N:5]-[C:6]	2	2558,2559
+[c:1](:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]):[n:8]>>[N:4](-[C:5])-[C:6].[c:1](:[c:2](-[C:3](=[O:9])-[O:10]-[C:11]-[C:12]):[n:7]):[n:8]	1	2560
+[c:1](:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]):[n:8]>>[N:4](-[C:5])-[C:6].[c:1](:[c:2](-[C:3]-[O:9]):[n:7]):[n:8]	1	2561
+[c:1](:[c:2](-[C:3]=[O:6]):[n:4]):[n:5]>>[c:1](:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[n:4]):[n:5]	1	2562
+[c:1](:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[c:7]:[n:8]):[n:9]>>[C:4](=[O:5])(-[C:6])-[Cl:12].[c:1](:[c:2](-[N+:3](=[O:10])-[O-:11]):[c:7]:[n:8]):[n:9]	1	2563
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4](-[B:5](-[O:6])-[O:10]-[C:11](-[C:12])-[C:13])-[C:7](-[C:8])-[C:9].[c:1](:[c:2])(:[c:3])-[Br:14]	1	2564
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-[B:5](-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15].[c:1](:[c:2])(:[c:3])-[N+:16](=[O:17])-[O-:18]	2	2565,2566
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+[c:1]-[C:2](-[N:3]-[C:4])=[O:5]>>[N:3]-[C:4].[c:1]-[C:2](=[O:5])-[O:6]	1	2660
+[c:1]-[C:2](-[N:3]-[c:4]:[c:6]:[n:5])-[C:7](-[N:8])=[O:9]>>[C:7](#[N:8])-[Si:10](-[C:11])(-[C:12])-[C:13].[O:9].[c:1]-[C:2]=[O:14].[N:3]-[c:4]:[c:6]:[n:5]	1	2661
+[c:1]-[C:2](-[O:3])-[C:4](-[c:5])(-[S:6]-[C:7])-[S:9]-[C:8]>>[S:6]-[C:7].[C:8]-[S:9].[C:4](-[c:5])=[O:10].[c:1]-[C:2]=[O:3]	1	2662
+[c:1]-[C:2](-[O:3])-[C:4]-[N:5](-[C:6]-[C:7])-[C:8]>>[C:6](-[C:7])-[Br:10].[c:1]-[C:2](=[O:3])-[C:4]-[Br:9].[N:5]-[C:8]	1	2663
+[c:1]-[C:2](-[O:3]-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[n:9]:1)-[C:10](-[F:11])(-[F:12])-[F:13]>>[c:1]-[C:2]=[O:3].[C:10](-[F:11])(-[F:12])(-[F:13])-[Si:14](-[C:15])(-[C:16])-[C:17].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[n:9]:1)-[Cl:18]	1	2664
+[c:1]-[C:2](-[c:3](:[c:4]):[c:5])=[O:6]>>[c:3](:[c:4]):[c:5].[c:1]-[C:2](=[O:6])-[O:7]	1	2665
+[c:1]-[C:2](=[C:3](-[C:4]#[N:5])-[C:6](=[O:7])-[N:8])-[Cl:9]>>[N:5]-[C:16]-1-[C:17]-[C:18]-[C:19]-[C:20]-[C:21]-1.[Cl:9]-[P:10](=[O:11])(-[Cl:12])-[Cl:13].[c:1]-[C:2](=[C:3](-[C:4](=[O:14])-[O:22]-[C:23]-[C:24])-[C:6](=[O:7])-[N:8])-[O:15]	1	2666
+[c:1]-[C:2](=[N:3]-[C:4])-[c:7](:[c:5]):[c:6]>>[c:1]-[C:2](=[O:8])-[Cl:9].[N:3]-[C:4].[c:5]:[c:7]:[c:6]	1	2667
+[c:1]-[C:2](=[N:3]-[O:4])-[Cl:5]>>[Cl:5]-[N:7]-1-[C:8](=[O:9])-[C:10]-[C:11]-[C:12]-1=[O:13].[N:3]-[O:4].[c:1]-[C:2]=[O:6]	1	2668
+[c:1]-[C:2](=[N:3]-[O:4])-[Cl:5]>>[c:1]-[C:2].[Cl:5]-[N:6]-1-[C:7](=[O:8])-[C:9]-[C:10]-[C:11]-1=[O:12].[N:3]-[O:4]	1	2669
+[c:1]-[C:2](=[N:3]-[O:4])-[Cl:5]>>[c:1]-[C:2]=[O:6].[Cl:5]-[N:7]-1-[C:8](=[O:9])-[C:10]-[C:11]-[C:12]-1=[O:13].[N:3]-[O:4]	1	2670
+[c:1]-[C:2](=[O:3])-[C:4](=[O:5])-[c:6](:[c:7]):[c:8]>>[c:1]-[C:2]#[C:4].[O:3]=[S:10](-[C:11])-[C:12].[O:5].[c:6](:[c:7])(:[c:8])-[I:9]	1	2671
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[C:5](-[C:6](=[O:7])-[Cl:8])=[O:9].[c:1]-[C:2](=[O:3])-[O:10]-[C:11]	2	2672,2673
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[C:5](-[C:6](=[O:7])-[Cl:8])=[O:9].[c:1]-[C:2](=[O:3])-[O:10]-[C:11]-[C:12]	1	2674
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[c:1]-[C:2](=[O:3])-[O:8]-[C:9]	4	2675,2676,2677,2678
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[c:1]-[C:2]=[O:3]	1	2679
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[S:6](-[Cl:5])=[O:7].[c:1]-[C:2]=[O:3]	1	2680
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:9].[Cl:4]-[S:5](=[O:6])-[Cl:7]	1	2681
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:9].[Cl:4]-[S:6](-[Cl:5])=[O:7]	4	2682,2683,2684,2685
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[c:1]-[C:2]=[C:5].[Cl:4]-[S:10](=[O:11])-[Cl:12].[O:3]=[Os:6](=[O:7])(=[O:8])=[O:9]	1	2686
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:12](=[O:10])-[O:13]-[C:14](-[C:7])(-[C:8])-[C:9].[c:1]-[C:2](=[O:3])-[O:11]	1	2687
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[c:1]-[C:2](=[O:3])-[O:7]	2	2688,2689
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[c:1]-[C:2](=[O:3])-[O:7]	1	2690
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[c:1]-[C:2](=[O:3])-[Cl:7]	1	2691
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2](=[O:3])-[O:7]	2	2692,2693
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2](=[O:3])-[O:7]-[C:8]	7	2694,2695,2696,2697,2698,2699,2700
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9]	3	2701,2702,2703
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4]-[C:6].[C:5]-[I:8].[c:1]-[C:2](=[O:3])-[O:7]	1	2704
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+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[c:1]-[C:2](=[O:3])-[O:7].[N:4](-[C:5])(-[C:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	2708
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[N:4](-[C:5])-[c:6].[c:1]-[C:2](=[O:3])-[O:7]	2	2709,2710
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[N:4](-[C:5])-[c:6].[c:1]-[C:2](=[O:3])-[O:7]-[C:8]	1	2711
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[N:4](-[C:5])-[c:6].[c:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9]	1	2712
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[c:1]-[C:2](=[O:3])-[O:7]-[C:8].[N:4](-[C:5])-[c:6]	1	2713
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[c:1]-[C:2](=[O:3])-[O:7].[N:4](-[C:5])-[c:6]	1	2714
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6])-[c:7]>>[N:4](-[C:5](-[C:6])=[O:9])-[c:7].[c:1]-[C:2](=[O:3])-[Cl:8]	1	2715
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[c:1]-[C:2](=[O:3])-[O:9]-[C:10].[N:4]-[C:5]-[C:6](=[O:7])-[O:8]	1	2716
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+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-1(-[C:5])-[C:7](=[O:8])-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-[C:15]-1=[O:16].[c:1]-[C:2](=[O:3])-[Cl:6]	1	2719
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+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[c:1]-[C:2](=[O:3])-[O:6]-[C:7]	21	2722,2723,2724,2725,2726,2727,2728,2729,2730,2731,2732,2733,2734,2735,2736,2737,2738,2739,2740,2741,2742
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[c:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8]	2	2743,2744
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[Cl:6].[N:4](-[C:5])=[N+:7]=[N-:8]	1	2745
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[C:5]	2	2746,2747
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[C:5]	5	2748,2749,2750,2751,2752
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6].[N+:4](-[C:5])(=[O:7])-[O-:8]	1	2753
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+[c:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[S:5]	1	2760
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+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:9].[N:4]-[c:5](:[n:6]):[c:7]	1	2763
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[c:1]-[C:2](=[O:3])-[O:8]	1	2764
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[c:1]-[C:2](=[O:3])-[O:8]-[C:9]	1	2765
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:6]:[n:7]>>[N+:4](-[c:5]:[c:6]:[n:7])(=[O:9])-[O-:10].[c:1]-[C:2](=[O:3])-[Cl:8]	1	2766
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:6]:[n:7]>>[N:4]-[c:5]:[c:6]:[n:7].[c:1]-[C:2](=[O:3])-[O:8]	1	2767
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[c:1]-[C:2](=[O:3])-[O:8].[N+:4](-[c:5]:[c:7]:[n:6])(=[O:9])-[O-:10]	1	2768
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+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4](-[c:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:1]-[C:2](=[O:3])-[O:6]	1	2773
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4]-[c:5].[c:1]-[C:2](=[O:3])-[O:6]	2	2774,2775
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4]-[c:5].[c:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]	2	2776,2777
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[Cl:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	2	2778,2779
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+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[O:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	1	2783
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+[c:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6].[O:4]-[C:5]	1	2789
+[c:1]-[C:2](=[O:3])-[O:4]-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11]>>[c:1]-[C:2](=[O:3])-[O:19]-[C:20].[O:4](-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11])-[C:13](-[N:14](-[C:15])-[C:16])=[N+:17](-[C:12])-[C:18]	1	2790
+[c:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:1]-[C:2]=[O:3].[c:4](:[c:5])(:[c:6])-[Mg:7]-[Br:8]	1	2791
+[c:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1.[c:1]-[C:2](=[O:3])-[O:9]	1	2792
+[c:1]-[C:2]-1-[C:3]-[C:4]-[C:5]-[N:6]-2-[C:7]-[C:8]-[S:9](=[O:10])(=[O:11])-[N:12]=[C:13]-1-2>>[C:7](-[C:8]-[S:9](=[O:10])(=[O:11])-[Cl:14])-[Cl:15].[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:13]:1-[N:12]	1	2793
+[c:1]-[C:2]-1-[C:3]=[C:4]-[C:5]=[N+:6](-[C:7]-1=[O:8])-[O-:9]>>[O:8]=[C:11](-[O:12]-[C:13](-[C:14])=[O:15])-[C:16].[O:9]-[O:10].[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:7]:1	1	2794
+[c:1]-[C:2]-1-[N:3]-[C:4](=[O:5])-[N:6]-[C:7](-[c:8](:[c:9]):[c:10])=[C:11]-1-[c:12]>>[C:7](-[C:11]-[c:12])(=[O:14])-[O:17].[N:3]-[C:4](=[O:5])-[N:6].[c:1]-[C:2]=[O:13].[c:8](:[c:9])(:[c:10])-[Mg:15]-[Br:16]	1	2795
+[c:1]-[C:2]-1-[N:3]-[C:4](=[O:5])-[N:6]-[C:7](-[c:8](:[c:9]):[c:10])=[C:11]-1-[c:12]>>[N:3]-[C:4](=[O:5])-[N:6].[C:7](-[C:11]-[c:12])(=[O:14])-[N:15](-[O:16]-[C:17])-[C:18].[c:1]-[C:2]=[O:13].[c:8](:[c:9])(:[c:10])-[Mg:19]-[Br:20]	1	2796
+[c:1]-[C:2]-1=[C:3](-[O:4])-[C:5]-[N:6]-[C:7]-1=[O:8]>>[C:3](=[O:4])(-[C:5]-[N:6])-[O:10]-[C:9].[c:1]-[C:2]-[C:7](=[O:8])-[O:11]	1	2797
+[c:1]-[C:2]-1=[N:3]-[N:4](-[c:5](:[n:6]):[s:7])-[C:8](=[O:9])-[C:10]-1=[C:11]-[N:12]>>[c:1]-[C:2](-[C:10]-[C:8](=[O:9])-[O:13]-[C:14]-[C:15])=[O:16].[N:12].[C:11](-[N:17](-[C:22])-[C:23])(-[O:18]-[C:19])-[O:20]-[C:21].[N:3]-[N:4]-[c:5](:[n:6]):[s:7]	1	2798
+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[C:7]-1=[C:8]-[N:9]>>[c:1]-[C:2]=1-[N:3]-[N:4]-[C:5](=[O:6])-[C:7]=1.[N:9].[C:8](-[N:11](-[C:10])-[C:12])(-[O:13]-[C:14])-[O:15]-[C:16]	1	2799
+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[S:6])-[O:7]-1>>[N:3]-[N:4].[C:5](=[S:6])=[S:10].[c:1]-[C:2](=[O:7])-[O:8]-[C:9]	1	2800
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6](:[c:7]):[c:8])(-[C:9](-[F:10])(-[F:11])-[F:12])-[C:13]-1>>[c:1]-[C:2](=[N:3]-[O:4])-[Cl:14].[c:6](:[c:7])(:[c:8])-[B:15]-1-[O:16]-[C:17](-[C:18])(-[C:19])-[C:20](-[O:22]-1)(-[C:23])-[C:24].[C:5](-[C:9](-[F:10])(-[F:11])-[F:12])(=[C:13])-[Br:21]	1	2801
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11].[N:3]-[O:4].[c:1]-[C:2]=[O:12]	1	2802
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11].[c:1]-[C:2]=[N:3]-[O:4]	1	2803
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[c:1]-[C:2].[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11].[N:3]-[O:4]	1	2804
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[c:1]-[C:2]=[N:3]-[O:4].[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11]	2	2805,2806
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[c:1]-[C:2]=[O:12].[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11].[N:3]-[O:4]	1	2807
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[c:1]-[C:2](-[O:8])=[O:9]	1	2808
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[c:1]-[C:2]=[O:8]	2	2809,2810
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:8])-[Br:9].[c:1]-[C:2](-[O:6])=[O:7]	1	2811
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[N:4]-1-[C:5](=[O:6])-[C:7]-[C:8]-[C:9]-1=[O:10].[c:1]-[C:2](=[O:11])-[O:12]-[C:13]	1	2812
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[c:1]-[C:2](=[O:7])-[Cl:8]	1	2813
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[c:1]-[C:2](=[O:7])-[O:8]	1	2814
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[c:1]-[C:2]=[O:7]	7	2815,2816,2817,2818,2819,2820,2821
+[c:1]-[C:2]-[Br:3]>>[Br:3].[c:1]-[C:2](=[O:4])-[O:5]-[C:6]-[C:7]	1	2822
+[c:1]-[C:2]-[Br:3]>>[Br:3].[c:1]-[C:2]=[O:4]	1	2823
+[c:1]-[C:2]-[C:3]#[N:4]>>[C:3]#[N:4].[c:1]-[C:2](-[O:5])=[O:6]	1	2824
+[c:1]-[C:2]-[C:3]#[N:4]>>[C:3]#[N:4].[c:1]-[C:2](=[O:5])-[O:6]-[C:7]	2	2825,2826
+[c:1]-[C:2]-[C:3]#[N:4]>>[C:3]#[N:4].[c:1]-[C:2]-[O:5]	5	2827,2828,2829,2830,2831
+[c:1]-[C:2]-[C:3]#[N:4]>>[c:1]-[C:2](-[O:5])=[O:6].[C:3]#[N:4]	1	2832
+[c:1]-[C:2]-[C:3]#[N:4]>>[c:1]-[C:2]-[O:5].[C:3]#[N:4]	4	2833,2834,2835,2836
+[c:1]-[C:2]-[C:3]#[N:4]>>[c:1]-[C:2].[C:3]#[N:4]	1	2837
+[c:1]-[C:2]-[C:3](-[O:4])=[O:5]>>[O:4]-[C:6]-[C:7].[c:1]-[C:2]-[Cl:9].[C:3]#[N:8].[O:5]	1	2838
+[c:1]-[C:2]-[C:3](=[O:4])-[O:5]>>[O:5]-[C:6].[C:3]#[N:7].[O:4].[c:1]-[C:2]-[Cl:8]	1	2839
+[c:1]-[C:2]-[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]>>[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9].[c:1]-[C:2]=[O:10]	2	2840,2841
+[c:1]-[C:2]-[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]>>[c:1]-[C:2]=[O:10].[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]	1	2842
+[c:1]-[C:2]-[C:3]-[C:4](-[C:5])=[O:6]>>[C:3]-[C:4](-[C:5])=[O:6].[c:1]-[C:2]=[O:7]	1	2843
+[c:1]-[C:2]-[C:3]-[C:4]-[O:5]>>[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:8]-[C:7]-[C:6]	1	2844
+[c:1]-[C:2]-[C:3]-[C:4]=[O:5]>>[C:3]-[C:4]=[O:5].[c:1]-[C:2]=[O:6]	1	2845
+[c:1]-[C:2]-[C:3]-[C:4]=[O:5]>>[c:1]-[C:2]=[O:6].[C:3]-[C:4]=[O:5]	1	2846
+[c:1]-[C:2]-[C:3]-[N+:4]>>[C:3]-[N+:4].[c:1]-[C:2]=[O:5]	5	2847,2848,2849,2850,2851
+[c:1]-[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2]=[C:3]-[O:7]-[C:8]	1	2852
+[c:1]-[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2]=[O:9].[C:3](-[O:7]-[C:8])-[P+:10](-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)(-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2)-[c:23]:3:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:3	1	2853
+[c:1]-[C:2]-[C:3]-[N:4]-[C:5](-[C:6])=[O:7]>>[c:1]-[C:2]=[C:3]-[N+:4](=[O:9])-[O-:10].[C:5](-[C:6])(=[O:7])-[O:8]	1	2854
+[c:1]-[C:2]-[C:3]-[N:4]-[C:5](=[O:6])-[C:7](-[F:8])(-[F:9])-[F:10]>>[C:5](=[O:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[O:11]-[C:12](=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[C:3]-[N+:4](=[O:18])-[O-:19].[c:1]-[C:2]=[O:20]	1	2855
+[c:1]-[C:2]-[C:3]-[N:4]-[C:5](=[O:6])-[C:7](-[F:8])(-[F:9])-[F:10]>>[C:5](=[O:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[O:11]-[C:12](=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[c:1]-[C:2]=[C:3]-[N+:4](=[O:18])-[O-:19]	1	2856
+[c:1]-[C:2]-[C:3]-[N:4]>>[C:3]-[N+:4](=[O:5])-[O-:6].[c:1]-[C:2]=[O:7]	4	2857,2858,2859,2860
+[c:1]-[C:2]-[C:3]-[N:4]>>[c:1]-[C:2]-[Br:5].[C:3]#[N:4]	2	2861,2862
+[c:1]-[C:2]-[C:3]-[N:4]>>[c:1]-[C:2].[C:3]#[N:4]	1	2863
+[c:1]-[C:2]-[C:3]-[N:4]>>[c:1]-[C:2]=[C:3]-[N+:4](=[O:5])-[O-:6]	5	2864,2865,2866,2867,2868
+[c:1]-[C:2]-[C:3]=[O:4]>>[C:3](-[O:4]-[C:5])-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3.[c:1]-[C:2]=[O:25]	1	2869
+[c:1]-[C:2]-[C:3]=[O:4]>>[c:1]-[C:2]=[O:6].[C:3](-[O:4]-[C:5])-[P+:7](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	2	2870,2871
+[c:1]-[C:2]-[C:3]>>[c:1]-[C:2](-[C:3])=[O:4]	2	2872,2873
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[C:4](-[Cl:5])-[Cl:6].[c:1]-[C:2](-[O:7])=[O:8]	1	2874
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[C:4]-[Cl:5].[c:1]-[C:2](=[O:6])-[O:7]-[C:8]	1	2875
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](-[C:5])(=[O:6])=[O:7].[c:1]-[C:2](=[O:8])-[O:9]-[C:10]	1	2876
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](-[Cl:7])=[O:8].[c:1]-[C:2](-[O:5])=[O:6]	1	2877
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](-[Cl:8])=[O:9].[c:1]-[C:2](=[O:5])-[O:6]-[C:7]	1	2878
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[c:1]-[C:2](-[O:7])=[O:8]	2	2879,2880
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[c:1]-[C:2](-[O:7]-[C:9]-[C:10])=[O:8]	1	2881
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[c:1]-[C:2](=[O:7])-[O:8]-[C:9]-[C:10]	1	2882
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[c:1]-[C:2]=[O:7]	2	2883,2884
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:5](-[Cl:4])=[O:6].[c:1]-[C:2](=[O:7])-[O:8]-[C:9]	2	2885,2886
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:5](-[Cl:4])=[O:6].[c:1]-[C:2]=[O:7]	1	2887
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2](-[O:7])=[O:8].[Cl:3]-[C:5](-[Cl:4])-[Cl:6]	1	2888
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2](-[O:8])=[O:9].[Cl:3]-[C:5](-[Cl:4])(-[Cl:6])-[Cl:7]	1	2889
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2]=[O:6].[Cl:3]-[C:5]-[Cl:4]	1	2890
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2]=[O:7].[Cl:3]-[S:5](-[Cl:4])=[O:6]	1	2891
+[c:1]-[C:2]-[N:3](-[C:4](-[C:5])=[O:6])-[c:7]>>[C:4](-[C:5])(=[O:6])-[Cl:9].[N:3]-[c:7].[c:1]-[C:2]=[O:8]	1	2892
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](-[C:6])=[O:7]>>[N:3]-[C:4].[c:1]-[C:2]=[O:8].[C:5](-[C:6])(=[O:7])-[Cl:9]	1	2893
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[C:7]>>[C:5](=[O:6])(-[C:7])-[Cl:9].[N:3]-[C:4].[c:1]-[C:2]=[O:8]	1	2894
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[N:7]-[C:8]>>[N:3]-[C:4].[c:1]-[C:2]=[O:9].[C:5](=[O:6])=[N:7]-[C:8]	1	2895
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[N:3]-[C:4].[c:1]-[C:2]-[Br:12]	1	2896
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[c:1]-[C:2]=[O:12].[N:3]-[C:4]	1	2897
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[c:7]:[c:8]:[n:9]>>[c:1]-[C:2]=[O:10].[N:3]-[C:4].[C:5](=[O:6])(-[c:7]:[c:8]:[n:9])-[O:11]	1	2898
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[c:7]>>[N:3]-[C:4].[C:5](=[O:6])(-[c:7])-[Cl:9].[c:1]-[C:2]=[O:8]	1	2899
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:4]=[O:7].[N:3]-[C:5].[c:1]-[C:2]=[O:6]	1	2900
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:1]-[C:2]-[Br:6]	1	2901
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:1]-[C:2]=[O:6]	4	2902,2903,2904,2905
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2](-[O:6])=[O:7]	2	2906,2907
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2](-[O:6]-[C:7])-[O:8]-[C:9]	1	2908
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2](-[O:6]-[C:8]-[C:9])=[O:7]	1	2909
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2](=[O:6])-[O:7]	2	2910,2911
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2]-[O:6]	10	2912,2913,2914,2915,2916,2917,2918,2919,2920,2921
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2]=[O:6]	1	2922
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[c:1]-[C:2]-[O:6].[N:3](-[C:4])-[C:5]	4	2923,2924,2925,2926
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[c:1]-[C:2]=[O:6].[N:3](-[C:4])-[C:5]	1	2927
+[c:1]-[C:2]-[N:3](-[C:4])-[C:6](-[C:5])=[O:7]>>[N:3](-[C:4])-[C:6](-[C:5])=[O:7].[c:1]-[C:2]-[O:8]	1	2928
+[c:1]-[C:2]-[N:3](-[C:4])-[S:5](=[O:6])(=[O:7])-[C:8]>>[N:3]-[C:4].[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:10].[c:1]-[C:2]=[O:9]	1	2929
+[c:1]-[C:2]-[N:3](-[C:4])-[c:5]>>[c:1]-[C:2]-[Br:6].[N:3](-[C:4])(-[c:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	2930
+[c:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:6]=[O:7]>>[c:1]-[C:2].[N:3](-[C:4]=[O:5])-[C:6]=[O:7]	1	2931
+[c:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[C:6](-[C:7])=[C:8]-[N:9](-[c:10])-[C:11]-1=[O:12]>>[N:3](-[C:4](=[O:5])-[C:6](-[C:7])=[C:8]-[O:14]-[C:15]-[C:16])-[C:11](=[O:12])-[O:17]-[C:18]-[C:19].[c:1]-[C:2]-[Br:13].[N:9]-[c:10]	1	2932
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[C:6]>>[C:4](=[O:5])(-[C:6])-[O:7].[c:1]-[C:2]#[N:3]	4	2933,2934,2935,2936
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[Cl:7].[c:1]-[C:2]#[N:3]	1	2937
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[O:7].[N:3]-[O:8].[c:1]-[C:2]=[O:9]	1	2938
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[O:8].[c:1]-[C:2]=[N:3]-[O:7]	1	2939
+[c:1]-[C:2]-[N:3]-[C:4]>>[N:3](-[C:4])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[c:1]-[C:2]=[O:5]	1	2940
+[c:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[c:1]-[C:2](=[O:5])-[O:6]-[C:7]	1	2941
+[c:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[c:1]-[C:2]-[O:5]	4	2942,2943,2944,2945
+[c:1]-[C:2]-[N:3]-[C:4]>>[c:1]-[C:2](=[O:5])-[O:6]-[C:7].[N:3]-[C:4]	1	2946
+[c:1]-[C:2]-[N:3]-[C:4]>>[c:1]-[C:2]-[O:5].[N:3]-[C:4]	2	2947,2948
+[c:1]-[C:2]-[N:3]-[C:4]>>[c:1]-[C:2].[N:3]-[C:4]	1	2949
+[c:1]-[C:2]-[N:3]-[C:4]>>[c:1]-[C:2]=[O:5].[N:3]-[C:4]	2	2950,2951
+[c:1]-[C:2]-[N:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[C:8]):[o:9]:1>>[N:5]-[N:6]-[C:7](-[C:8])=[O:9].[N:3]#[C:4]-[Br:11].[c:1]-[C:2]=[O:10]	1	2952
+[c:1]-[C:2]-[N:3]-[c:4]:[c:6]:[n:5]>>[c:1]-[C:2]=[O:7].[N+:3](-[c:4]:[c:6]:[n:5])(=[O:8])-[O-:9]	1	2953
+[c:1]-[C:2]-[N:3]-[c:4]>>[N:3]-[c:4].[c:1]-[C:2](=[O:5])-[O:6]	1	2954
+[c:1]-[C:2]-[N:3]-[c:4]>>[N:3]-[c:4].[c:1]-[C:2]-[O:5]	1	2955
+[c:1]-[C:2]-[N:3]-[c:4]>>[c:1]-[C:2].[N:3]-[c:4]	2	2956,2957
+[c:1]-[C:2]-[N:3]-[c:4]>>[c:1]-[C:2]=[O:5].[N+:3](-[c:4])(=[O:6])-[O-:7]	1	2958
+[c:1]-[C:2]-[N:3]=[N+:4]=[N-:5]>>[c:1]-[C:2].[N-:3]=[N+:4]=[N-:5]	1	2959
+[c:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[N-:3]=[N+:5]=[N-:4].[c:1]-[C:2]-[O:6]	1	2960
+[c:1]-[C:2]-[N:3]>>[N:3]-[O:4].[c:1]-[C:2]=[O:5]	1	2961
+[c:1]-[C:2]-[N:3]>>[c:1]-[C:2]-[O:14].[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	2962
+[c:1]-[C:2]-[N:3]>>[c:1]-[C:2].[N:3]	1	2963
+[c:1]-[C:2]-[O:3]-[C:4](-[C:5]-[C:6])-[O:7]>>[C:4](=[C:5]-[C:6])-[O:7].[c:1]-[C:2](-[O:3])=[O:8]	1	2964
+[c:1]-[C:2]-[O:3]-[C:4](-[C:5]-[C:6])-[O:7]>>[C:4](=[C:5]-[C:6])-[O:7].[c:1]-[C:2]=[O:3]	1	2965
+[c:1]-[C:2]-[O:3]-[C:4]-[C:5]>>[c:1]-[C:2]-[Br:6].[O:3]-[C:4](-[C:5])=[O:7]	1	2966
+[c:1]-[C:2]-[O:3]-[C:4]>>[O:3]-[C:4].[c:1]-[C:2]-[O:5]	1	2967
+[c:1]-[C:2]-[O:3]-[C:4]>>[c:1]-[C:2]-[O:5].[O:3]-[C:4]	1	2968
+[c:1]-[C:2]-[O:3]-[C:4]>>[c:1]-[C:2]=[O:3].[C:4]-[I:5]	1	2969
+[c:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:9].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:10]	1	2970
+[c:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[c:1]-[C:2]=[O:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:8]	1	2971
+[c:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7]>>[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:8].[c:1]-[C:2]=[O:3]	1	2972
+[c:1]-[C:2]-[O:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[O:7].[c:1]-[C:2]=[O:3]	2	2973,2974
+[c:1]-[C:2]-[O:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[C:2]-[Cl:7].[O:3](-[c:4](:[n:5]):[c:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	2975
+[c:1]-[C:2]-[O:3]-[c:4]:1:[n:5]:[n:6](-[c:7]):[c:8]:[c:9]:1-[C:10]=[O:11]>>[c:1]-[C:2]-[O:12].[O:3]=[C:4]-1-[N:5]-[N:6](-[c:7])-[C:8]=[C:9]-1-[C:10]=[O:11]	1	2976
+[c:1]-[C:2]-[O:3]-[c:4]:1:[n:5]:[n:6](-[c:7]):[c:8]:[c:9]:1-[C:10]=[O:11]>>[c:1]-[C:2]=[O:12].[O:3]=[C:4]-1-[N:5]-[N:6](-[c:7])-[C:8]=[C:9]-1-[C:10]=[O:11]	1	2977
+[c:1]-[C:2]-[O:3]-[c:4]:[c:6]:[n:5]>>[c:1]-[C:2]-[O:7].[O:3]-[c:4]:[c:6]:[n:5]	1	2978
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[c:1]-[C:2]-[Br:5]	1	2979
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6].[c:1]-[C:2]-[Br:5]	2	2980,2981
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6].[c:1]-[C:2]-[Cl:5]	2	2982,2983
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3]-[c:4].[c:1]-[C:2]	1	2984
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3]-[c:4].[c:1]-[C:2]-[O:5]	2	2985,2986
+[c:1]-[C:2]-[O:3]-[c:4]>>[c:1]-[C:2]-[O:5].[O:3]-[c:4]	1	2987
+[c:1]-[C:2]-[O:3]-[c:4]>>[c:1]-[C:2]=[O:5].[O:3]-[c:4]	1	2988
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2]#[N:4].[O:3]	1	2989
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](-[O:3]-[C:4])=[O:5]	2	2990,2991
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](-[O:3]-[C:5])=[O:4]	7	2992,2993,2994,2995,2996,2997,2998
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](-[O:3]-[C:5]-[C:6])=[O:4]	1	2999
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](=[O:3])-[O:4]	5	3000,3001,3002,3003,3004
+[c:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[c:1]-[C:2](-[O:7])=[O:8].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9]	1	3005
+[c:1]-[C:2]-[P:4](-[O:3])(=[O:5])-[O:6]>>[c:1]-[C:2]-[O:9].[O:3]-[P:4](-[O:5]-[C:7]-[C:8])-[O:6]	1	3006
+[c:1]-[C:2]-[S:3]-[c:4](:[n:5]):[n:6]>>[c:1]-[C:2]-[O:7].[S:3]-[c:4](:[n:5]):[n:6]	1	3007
+[c:1]-[C:2]-[S:3]-[c:4](:[n:5]):[n:6]>>[c:1]-[C:2]=[O:7].[S:3]-[c:4](:[n:5]):[n:6]	1	3008
+[c:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[c:6](-[C:7]):[c:8](-[C:9]#[N:10]):[c:11](-[O:12]):[n:13]:1>>[C:6](-[C:7])=[O:15].[C:8](-[C:9]#[N:10])-[C:11](=[O:12])-[O:16]-[C:17].[S:3]=[C:4](-[N:5])-[N:13].[c:1]-[C:2]-[Cl:14]	1	3009
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[C:2](=[O:6])-[O:7].[c:3](:[c:4]):[c:5]	1	3010
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[C:2]=[O:6].[c:3](:[c:4])(:[c:5])-[Br:7]	2	3011,3012
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[C:2]=[O:6].[c:3](:[c:4])(:[c:5])-[Mg:7]-[Br:8]	1	3013
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:7].[c:1]-[C:2]=[O:6]	2	3014,3015
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4]):[c:5].[c:1]-[C:2](=[O:6])-[Cl:7]	1	3016
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4]):[c:5].[c:1]-[C:2](=[O:6])-[O:7]	1	3017
+[c:1]-[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1>>[c:1]-[C:2]=[O:9].[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1	1	3018
+[c:1]-[C:2]-[c:3]>>[c:1]-[C:2](-[c:3])=[O:4]	2	3019,3020
+[c:1]-[C:2]-[n:3]:1:[c:4](-[C:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:3]-[c:8](:[c:7](-[N+:6](=[O:12])-[O-:13]):[c:10]):[c:9].[c:1]-[C:2]-[Br:11].[C:4](-[C:5])(=[O:14])-[O:15]	1	3021
+[c:1]-[C:2]-[n:3]:1:[c:4](-[C:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:3]-[c:8](:[c:7](-[N:6]):[c:10]):[c:9].[c:1]-[C:2]-[Br:11].[C:4](-[C:5])(=[O:12])-[O:13]	1	3022
+[c:1]-[C:2]-[n:3]:1:[c:4](-[C:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[c:1]-[C:2]-[Br:11].[C:4](-[C:5])(=[O:12])-[O:13].[N:3]-[c:8](:[c:7](-[N:6]):[c:10]):[c:9]	1	3023
+[c:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7].[c:1]-[C:2]	1	3024
+[c:1]-[C:2]=[C:3](-[C:4]#[N:5])-[S:6]>>[c:1]-[C:2](-[O:7])=[O:8].[C:3](-[C:4]#[N:5])-[S:6]	1	3025
+[c:1]-[C:2]=[C:3](-[C:4]#[N:5])-[S:6]>>[c:1]-[C:2]-[O:7].[C:3](-[C:4]#[N:5])-[S:6]	1	3026
+[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:6]>>[c:1]-[C:2](=[O:7])-[N:8](-[O:9]-[C:10])-[C:11].[C:3](-[C:4](=[O:5])-[O:6])=[P:12](-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)(-[c:19]:2:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:2)-[c:25]:3:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:3	1	3027
+[c:1]-[C:2]=[C:3]-[C:4]>>[c:1]-[C:2](-[C:3]-[C:4])=[O:5]	1	3028
+[c:1]-[C:2]=[N:3]-[N:4]-[c:5](:[c:6]):[n:8]:[n:7]>>[c:5](:[c:6])(:[n:8]:[n:7])-[Cl:10].[N:3]-[N:4].[c:1]-[C:2]=[O:9]	1	3029
+[c:1]-[C:2]=[N:3]-[N:4]-[c:5]:1:[n:6]:[c:7](:[c:8]):[n:9]:[c:10]:[c:11]:1>>[c:5]:1(:[n:6]:[c:7](:[c:8]):[n:9]:[c:10]:[c:11]:1)-[Cl:13].[N:3]-[N:4].[c:1]-[C:2]=[O:12]	1	3030
+[c:1]-[C:2]=[N:3]-[O:4]>>[N:3]-[O:4].[c:1]-[C:2]-[O:5]	1	3031
+[c:1]-[C:2]=[N:3]-[O:4]>>[c:1]-[C:2]-[O:5].[N:3]-[O:4]	1	3032
+[c:1]-[C:2]=[N:3]-[O:4]>>[c:1]-[C:2].[N:3]-[O:4]	1	3033
+[c:1]-[C:2]=[O:3]>>[O:3]=[S:4](-[C:5])-[C:6].[c:1]-[C:2]	1	3034
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](-[O:3])=[O:4]	4	3035,3036,3037,3038
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](-[O:3]-[C:5])=[O:4]	1	3039
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](=[O:3])-[O:4]	2	3040,3041
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](=[O:3])-[O:4]-[C:5]	6	3042,3043,3044,3045,3046,3047
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]	2	3048,3049
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]-[O:3]-[Si:4](-[C:5](-[C:6])(-[C:7])-[C:8])(-[C:9])-[C:10]	1	3050
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]-[O:3]-[Si:4](-[C:5](-[C:6])(-[C:7])-[C:8])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2	1	3051
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7](-[C:8])(-[C:9])-[C:10]	1	3052
+[c:1]-[C:3](-[C:2])-[N:4]-[S:5](=[O:6])(=[O:7])-[c:8]>>[c:1]-[C:3](-[C:2])=[O:9].[N:4].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:10]	1	3053
+[c:1]-[C:3](-[C:2])-[N:4]=[N+:6]=[N-:5]>>[c:1]-[C:3](-[C:2])=[O:21].[N:4](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:7]:[c:20]:[c:19]:[c:18]:[c:17]:2	1	3054
+[c:1]-[C:3](-[C:2])-[N:4]>>[c:1]-[C:3](-[C:2])-[O:7].[N:4](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	1	3055
+[c:1]-[C:3](-[C:2])-[N:4]>>[c:1]-[C:3](-[C:2])=[O:21].[N:4](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:7]:[c:20]:[c:19]:[c:18]:[c:17]:2	1	3056
+[c:1]-[C:4](-[N:3]-[C:2])=[O:5]>>[c:1]-[C:4](=[O:5])-[O:6]-[C:7].[C:2]-[N:3]	1	3057
+[c:1]-[C:5](-[C:3](-[N:2])=[O:4])=[C:6]-[N:7]-[c:8]>>[c:1]-[C:5]-[C:3](-[N:2])=[O:4].[N:7]-[c:8].[C:6](=[O:9])-[O:10]-[C:11]-[C:12]	1	3058
+[c:1]-[C:5](-[C:3](-[N:2])=[O:4])=[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[n:11]:1>>[c:1]-[C:5]-[C:3](-[N:2])=[O:4].[C:6](=[O:12])-[N:13](-[C:14])-[C:15].[c:7]:1:[c:8]:[c:9]:[c:10]:[n:11]:1	1	3059
+[c:1]-[C:5](-[N:4]-[C:3]-[c:2]:[c:7]:[n:8])=[O:6]>>[c:1]-[C:5](=[O:6])-[O:9].[c:2](-[C:3]#[N:4]):[c:7]:[n:8]	1	3060
+[c:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]>>[C:3]-[I:7].[C:4](=[O:5])(-[c:6])-[O:8].[c:1]-[N:2]	1	3061
+[c:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]>>[C:3]-[I:8].[C:4](=[O:5])(-[c:6])-[Cl:7].[c:1]-[N:2]	1	3062
+[c:1]-[N:2](-[C:3])-[S:4](=[O:5])(=[O:6])-[c:7]>>[C:3]-[I:9].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:8].[c:1]-[N:2]	1	3063
+[c:1]-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]>>[C:3](-[C:4])-[Br:11].[C:5]-[C:6]-[Br:10].[c:1]-[N:2]-[C:7](-[C:8])=[O:9]	1	3064
+[c:1]-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]>>[C:3](-[C:4])-[Br:9].[C:5]-[C:6]-[Br:10].[c:1]-[N+:2](=[O:7])-[O-:8]	2	3065,3066
+[c:1]-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]>>[C:3](-[C:4])-[Cl:10].[C:5]-[C:6]-[Cl:9].[c:1]-[N+:2](=[O:7])-[O-:8]	3	3067,3068,3069
+[c:1]-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]>>[c:1]-[N+:2](=[O:7])-[O-:8].[C:3](-[C:4])-[Cl:9].[C:5]-[C:6]-[Cl:10]	1	3070
+[c:1]-[N:2](-[C:3]-[C:4])-[S:5](-[C:6])(=[O:7])=[O:8]>>[c:1]-[N:2].[C:3](-[C:4])-[Br:10].[S:5](-[C:6])(=[O:7])(=[O:8])-[Cl:9]	1	3071
+[c:1]-[N:2](-[C:3]=[O:4])-[C:8](-[N:6](-[c:5])-[C:7])=[O:9]>>[C:7]-[I:20].[C:8](=[O:9])(-[O:10]-[C:11](-[Cl:12])(-[Cl:13])-[Cl:14])-[O:15]-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19].[c:1]-[N:2]-[C:3]=[O:4].[c:5]-[N:6]	1	3072
+[c:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[C:7]-1=[O:8]>>[C:3](=[O:4])(-[c:5]:[c:6]-[C:7](=[O:8])-[O:10])-[O:9].[c:1]-[N:2]	1	3073
+[c:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[C:7]-1=[O:8]>>[c:1]-[N+:2](=[O:9])-[O-:10].[C:3]-1(=[O:4])-[c:5]:[c:6]-[C:7](=[O:8])-[O:11]-1	1	3074
+[c:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[N:7](-[C:8])-[C:9]-1=[O:10]>>[C:8]-[I:24].[C:9](=[O:10])(-[O:14]-[C:15](-[Cl:16])(-[Cl:17])-[Cl:18])-[O:19]-[C:20](-[Cl:21])(-[Cl:22])-[Cl:23].[c:1]-[N:2].[C:3]-1(=[O:4])-[c:5]:[c:6]-[N:7]-[C:11](=[O:12])-[O:13]-1	1	3075
+[c:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[N:7]-[C:8]-1=[O:9]>>[C:8](=[O:9])(-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17])-[O:18]-[C:19](-[Cl:20])(-[Cl:21])-[Cl:22].[c:1]-[N:2].[C:3]-1(=[O:4])-[c:5]:[c:6]-[N:7]-[C:10](=[O:11])-[O:12]-1	1	3076
+[c:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[N:7]=[C:8]-1-[C:9]>>[C:8](-[C:9])(=[O:11])-[Cl:12].[C:3](=[O:4])(-[c:5]:[c:6]-[N:7])-[O:10].[c:1]-[N:2]	1	3077
+[c:1]-[N:2]-1-[C:3](=[S:4])-[N:5]-[C:6](=[O:7])-[C:8](=[C:9]-1-[N:10])-[N:11]=[O:14]>>[C:6](=[O:7])(-[C:8]-[C:9]#[N:10])-[O:12]-[C:13]-[C:15].[c:1]-[N:2]-[C:3](=[S:4])-[N:5].[N:11](-[O:14])=[O:16]	1	3078
+[c:1]-[N:2]-1-[C:3](=[S:4])-[N:5]-[C:6](=[O:7])-[C:8](=[C:9]-1-[N:10])-[N:11]>>[C:6](=[O:7])(-[C:8]-[C:9]#[N:10])-[O:12]-[C:13]-[C:14].[c:1]-[N:2]-[C:3](=[S:4])-[N:5].[N:11](-[O:15])=[O:16]	1	3079
+[c:1]-[N:2]-1-[C:3](=[S:4])-[N:5]-[C:6](=[O:7])-[c:8]:2:[c:9]-1:[n:10]:[c:11]:[n:12]:2>>[C:6](=[O:7])(-[C:8]-[C:9]#[N:10])-[O:13]-[C:14]-[C:15].[c:1]-[N:2]-[C:3](=[S:4])-[N:5].[N:12](-[O:16])=[O:17].[C:11](=[O:18])-[O:19]	1	3080
+[c:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-1=[O:7]>>[C:3](-[C:4]-[C:5]-[C:6](=[O:7])-[Cl:9])-[Cl:8].[c:1]-[N:2]	2	3081,3082
+[c:1]-[N:2]-1-[C:3]-[C:4]-[O:5]-[C:6]-1=[O:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3]-1-[C:4]-[O:5]-1.[C:6](=[O:7])(-[Cl:10])-[Cl:11]	1	3083
+[c:1]-[N:2]-1-[C:3]-[C:4]-[O:5]-[C:6]-1=[O:7]>>[c:1]-[N:2].[C:3]-1-[C:4]-[O:5]-1.[C:6](=[O:7])(-[Cl:8])-[Cl:9]	1	3084
+[c:1]-[N:2]-1-[C:3]-[N:4](-[c:5])-[C:6]-[C:7]-1=[O:8]>>[C:3]=[O:10].[c:1]-[N:2]-[C:7](-[C:6]-[Cl:9])=[O:8].[N:4]-[c:5]	1	3085
+[c:1]-[N:2]-1-[C:3]-[N:4](-[c:5])-[C:6]-[C:7]-1=[O:8]>>[C:3]=[O:9].[C:6](-[C:7](=[O:8])-[Cl:11])-[Cl:10].[c:1]-[N:2].[N:4]-[c:5]	1	3086
+[c:1]-[N:2]-1-[C:3]-[c:4]:[c:5]-[C:6]-1=[O:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](-[c:4]:[c:5]-[C:6](=[O:7])-[O:10]-[C:11]-[C:12])-[Br:13]	1	3087
+[c:1]-[N:2]-1-[C:3]-[c:4]:[c:5]-[C:6]-1=[O:7]>>[c:1]-[N:2].[C:3]-[c:4]:[c:5]-[C:6](=[O:7])-[O:10]-[C:9]-[C:8]	1	3088
+[c:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:8].[c:1]-[N+:2](=[O:6])-[O-:7]	2	3089,3090
+[c:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	2	3091,3092
+[c:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[O:8]-[C:9](-[C:10])=[O:11].[c:1]-[N+:2](=[O:6])-[O-:7]	4	3093,3094,3095,3096
+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[C:3](=[N:4]-[C:7](=[O:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)=[S:5].[c:1]-[N:2]	1	3097
+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[C:3](=[N:4]-[C:8](=[O:9])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)=[S:5].[c:1]-[N+:2](=[O:6])-[O-:7]	1	3098
+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[C:3](=[S:5])(-[Cl:6])-[Cl:7].[N:4].[c:1]-[N:2]	1	3099
+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[N:4]-[C:9](=[O:8])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)=[S:5]	2	3100,3101
+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[c:1]-[N:2].[C:3](=[N:4]-[C:7](=[O:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)=[S:5]	2	3102,3103
+[c:1]-[N:2]-[C:3](-[N:4]-[C:9]=[O:8])=[S:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[N:4]-[C:9]=[O:8])=[S:5]	2	3104,3105
+[c:1]-[N:2]-[C:3](-[c:4](:[c:5]):[n:6])=[O:7]>>[C:3](-[c:4](:[c:5]):[n:6])(=[O:7])-[O:8]-[C:9]-[C:10].[c:1]-[N:2]	2	3106,3107
+[c:1]-[N:2]-[C:3](-[c:4]:[c:6]:[n:5])=[O:7]>>[C:3](-[c:4]:[c:6]:[n:5])(=[O:7])-[O:8]-[C:9].[c:1]-[N:2]	1	3108
+[c:1]-[N:2]-[C:3](=[N:4])-[c:5](:[c:6]):[s:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[N:4])(-[c:5](:[c:6]):[s:7])-[S:10]-[C:11]	1	3109
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[N:8]>>[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[N:8])-[O:11].[c:1]-[N+:2](=[O:9])-[O-:10]	1	3110
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]-[N:6](-[C:7])-[C:8]>>[C:3](=[O:4])(-[C:5]-[Cl:9])-[Cl:10].[N:6](-[C:7])-[C:8].[c:1]-[N:2]	3	3111,3112,3113
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]=[O:6]>>[C:3](=[O:4])(-[C:5]=[O:6])-[Cl:9].[c:1]-[N+:2](=[O:7])-[O-:8]	1	3114
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](-[O:4])(-[C:5])=[O:8].[c:1]-[N+:2](=[O:6])-[O-:7]	1	3115
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:13].[c:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	3116
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	3	3117,3118,3119
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:16].[c:1]-[N:2]-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	3120
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8].[c:1]-[N:2]	2	3121,3122
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6].[c:1]-[N:2]	2	3123,3124
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:8].[c:1]-[N+:2](=[O:6])-[O-:7]	10	3125,3126,3127,3128,3129,3130,3131,3132,3133,3134
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[C:5])-[Cl:8]	3	3135,3136,3137
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[C:5])-[O:8]	6	3138,3139,3140,3141,3142,3143
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[C:5])-[O:8]-[C:9]-[C:10]	1	3144
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[c:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8]	1	3145
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[c:1]-[N:2].[N:5](-[C:6])-[C:7].[C:3](=[O:4])(-[O:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1)-[Cl:15]	1	3146
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[c:1]-[N:2]=[C:3]=[O:4].[N:5](-[C:6])(-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	3147
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5](-[c:6](:[c:7]):[n:8])-[C:9](-[C:10])-[C:11]>>[C:9](-[C:10])(-[C:11])=[O:12].[c:1]-[N:2]=[C:3]=[O:4].[N:5]-[c:6](:[c:7]):[n:8]	1	3148
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[C:3](=[O:4])=[N:5]-[C:6].[c:1]-[N+:2](=[O:7])-[O-:8]	1	3149
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:1]-[N:2]=[C:3]=[O:4]	1	3150
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[C:3](=[O:4])(-[O:7]-[C:8](-[Cl:9])(-[Cl:10])-[Cl:11])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16].[c:1]-[N:2]	1	3151
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N+:2](=[O:7])-[O-:8].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:12]:[c:13]:[c:9]:[c:15]:[c:16]:1)-[Cl:14]	1	3152
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N+:2](=[O:7])-[O-:8].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:9]:[c:12]:[c:13]:[c:15]:[c:16]:1)-[Cl:14]	1	3153
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N:2].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1)-[Cl:14]	2	3154,3155
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N:2].[C:3](=[O:4])(-[O:8]-[C:10](-[C:7])=[C:9])-[Cl:11]	1	3156
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[C:3](=[O:4])=[N:5]-[C:6]	1	3157
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[N:5]-[C:6].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:12]:[c:13]:[c:9]:[c:15]:[c:16]:1)-[Cl:14]	1	3158
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[c:1]-[N:2].[N:5]-[C:6].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1)-[Cl:14]	1	3159
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[c:7]):[n:8]>>[N:5]-[c:6](:[c:7]):[n:8].[c:1]-[N:2].[C:3](=[O:4])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	2	3160,3161
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[c:9]:[n:8]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:1)-[Cl:17].[N:5]-[c:6](:[n:7]):[c:9]:[n:8]	1	3162
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:7])-[O-:8].[c:1]-[N:2]=[C:3]=[O:4]	2	3163,3164
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[N:5]-[c:6].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1)-[Cl:14].[c:1]-[N:2]	1	3165
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[C:3](=[O:4])=[N:5]-[c:6]	1	3166
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[c:1]-[N:2].[N:5]-[c:6].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1)-[Cl:14]	1	3167
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]>>[C:3](=[O:4])(-[N:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	1	3168
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[c:1]-[N+:2](=[O:10])-[O-:11]	1	3169
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[c:1]-[N+:2](=[O:10])-[O-:11].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	3170
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]>>[C:3](=[O:4])(-[O:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	3	3171,3172,3173
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[O:5])-[Cl:8]	6	3174,3175,3176,3177,3178,3179
+[c:1]-[N:2]-[C:3](=[O:4])-[O:7]>>[C:3](=[O:4])(-[O:7])-[Cl:8].[c:1]-[N+:2](=[O:5])-[O-:6]	1	3180
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:8]-[C:9].[c:1]-[N:2]	1	3181
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:10]	1	3182
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:8]-[C:9]	1	3183
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[Cl:10]	1	3184
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[O:10]	1	3185
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[O:8]-[C:9]	1	3186
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:8]	1	3187
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[Cl:10].[c:1]-[N+:2](=[O:8])-[O-:9]	1	3188
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:10]	2	3189,3190
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:10].[c:1]-[N+:2](=[O:8])-[O-:9]	1	3191
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9].[c:1]-[N:2]	1	3192
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[s:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[s:7])-[O:8].[c:1]-[N:2]	1	3193
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	3	3194,3195,3196
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:12].[c:1]-[N:2]-[C:6](=[O:7])-[C:8](-[F:9])(-[F:10])-[F:11]	1	3197
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6]-[C:7].[c:1]-[N:2]	2	3198,3199
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6].[c:1]-[N:2]	2	3200,3201
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:8]-[C:9].[c:1]-[N+:2](=[O:6])-[O-:7]	1	3202
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:8].[c:1]-[N+:2](=[O:6])-[O-:7]	1	3203
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[c:5])-[Cl:8]	6	3204,3205,3206,3207,3208,3209
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[c:5])-[O:8]	6	3210,3211,3212,3213,3214,3215
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](=[O:4])(-[c:5])-[O:13]	1	3216
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]	1	3217
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[S:4])(-[Cl:10])-[Cl:11]	1	3218
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[c:1]-[N:2].[C:3](=[S:4])(-[Cl:8])-[Cl:9]	1	3219
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5]-[C:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[N:5]-[C:6].[C:3](=[S:4])(-[O:9]-[c:10]:1:[n:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[O:16]-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[n:22]:2	1	3220
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5]-[C:6]>>[c:1]-[N:2].[N:5]-[C:6].[C:3](=[S:4])(-[O:7]-[c:8]:1:[n:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)-[O:14]-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[n:20]:2	1	3221
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5]-[c:6]>>[C:3](=[S:4])=[N:5]-[c:6].[c:1]-[N+:2](=[O:7])-[O-:8]	1	3222
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:7])-[O-:8].[c:1]-[N:2]=[C:3]=[S:4]	1	3223
+[c:1]-[N:2]-[C:3](=[S:4])-[c:5]>>[c:1]-[N:2].[C:3](-[c:5])(=[O:27])-[Cl:28].[S:4]=[P:7]-1(-[S:8]-[P:9](-[c:10]:2:[c:11]:[c:12]:[c:13](-[O:14]-[C:15]):[c:16]:[c:17]:2)(=[S:18])-[S:19]-1)-[c:20]:3:[c:6]:[c:26]:[c:23](:[c:22]:[c:21]:3)-[O:24]-[C:25]	1	3224
+[c:1]-[N:2]-[C:3]-[C:4]-[O:5]>>[C:3]-1-[C:4]-[O:5]-1.[c:1]-[N+:2](=[O:6])-[O-:7]	1	3225
+[c:1]-[N:2]-[C:3]-[C:4]-[O:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3]-1-[C:4]-[O:5]-1	1	3226
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])(=[O:5])-[Cl:6].[c:1]-[N:2]	1	3227
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[c:1]-[N:2]	2	3228,3229
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])=[O:12].[c:1]-[N:2]-[C:5](-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])=[O:11]	1	3230
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])=[O:7].[c:1]-[N+:2](=[O:5])-[O-:6]	1	3231
+[c:1]-[N:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:7].[c:1]-[N+:2](=[O:5])-[O-:6]	3	3232,3233,3234
+[c:1]-[N:2]-[C:3]-[c:4]>>[C:3]-[c:4].[c:1]-[N:2]	1	3235
+[c:1]-[N:2]-[C:3]-[c:4]>>[c:1]-[N:2].[C:3](-[c:4])(=[O:5])-[Cl:6]	1	3236
+[c:1]-[N:2]-[C:3]=[C:4](-[C:5](=[O:6])-[N:7])-[c:8]>>[C:3](=[O:9])-[O:10]-[C:11]-[C:12].[C:4](-[C:5](=[O:6])-[N:7])-[c:8].[c:1]-[N:2]	1	3237
+[c:1]-[N:2]-[C:3]=[O:4]>>[c:1]-[N+:2](=[O:5])-[O-:6].[C:3](=[O:4])-[O:7]	1	3238
+[c:1]-[N:2]-[C:6](-[C:5]-[N:3]-[C:4])=[O:7]>>[N:3]-[C:4].[C:5](-[C:6](=[O:7])-[Cl:9])-[Cl:8].[c:1]-[N:2]	1	3239
+[c:1]-[N:2]-[C:6](-[C:5]-[N:3]-[c:4])=[O:7]>>[C:5](-[C:6](=[O:7])-[Cl:9])-[Cl:8].[c:1]-[N:2].[N:3]-[c:4]	1	3240
+[c:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:9].[c:1]-[N+:2](=[O:7])-[O-:8]	2	3241,3242
+[c:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:9]	10	3243,3244,3245,3246,3247,3248,3249,3250,3251,3252
+[c:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[c:1]-[N:2]-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:14]	1	3253
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[c:1]-[N+:2](=[O:10])-[O-:11].[S:3](=[O:4])(=[O:5])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:12]-[S:13](=[O:14])(=[O:15])-[C:16](-[F:17])(-[F:18])-[F:19]	1	3254
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[c:8]>>[c:6](:[c:7]):[c:8].[c:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[Cl:9])-[O:10]	1	3255
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:9].[c:1]-[N+:2](=[O:7])-[O-:8]	5	3256,3257,3258,3259,3260
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:9]	4	3261,3262,3263,3264
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[c:1]-[N:2]-[C:7](-[O:8]-[C:9]-[C:10]=[C:11])=[O:12].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:13]	1	3265
+[c:1]-[N:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:8].[c:1]-[N+:2](=[O:6])-[O-:7]	1	3266
+[c:1]-[N:2]-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]>>[c:1]-[N+:2](=[O:8])-[O-:9].[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:10]	1	3267
+[c:1]-[N:2]-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]>>[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:10].[c:1]-[N+:2](=[O:8])-[O-:9]	1	3268
+[c:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:10]	1	3269
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1>>[c:1]-[N:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1)-[O:10]	1	3270
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1)-[Cl:12].[c:1]-[N+:2](=[O:10])-[O-:11]	4	3271,3272,3273,3274
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1)-[O:10].[c:1]-[N:2]	3	3275,3276,3277
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[N+:2](=[O:9])-[O-:10].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	1	3278
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[N:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	2	3279,3280
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9].[c:1]-[N:2]	1	3281
+[c:1]-[N:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7](-[c:8](:[c:9]):[c:10]):[n:11]:1>>[c:1]-[N:2].[c:8](:[c:9])(:[c:10])-[B:13](-[O:14])-[O:15].[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:7](:[n:11]:1)-[Cl:12])-[Cl:16]	1	3282
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](-[C:6](-[N:7])=[O:8]):[c:9](-[N:10]-[C:11](=[O:12])-[c:13]):[s:14]:1>>[N:4]-[C:5](-[C:6](-[N:7])=[O:8])-[C:9]#[N:10].[C:11](=[O:12])(-[c:13])-[Cl:15].[c:1]-[N:2]=[C:3]=[S:14]	1	3283
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](-[C:6](=[O:7])-[O:8]):[c:9]:[s:10]:1>>[C:5](-[C:6](=[O:7])-[O:8])(-[C:9]-[Br:19])=[O:20].[c:1]-[N:2].[C:3](=[N:4]-[C:11](=[O:12])-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)=[S:10]	1	3284
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](-[N:6]):[c:7](-[C:8]=[O:9]):[s:10]:1>>[N:4]-[C:5]#[N:6].[C:7](-[C:8]=[O:9])-[Br:21].[C:3](=[S:10])(-[n:11]:1:[c:12]:[c:13]:[n:14]:[c:15]:1)-[n:16]:2:[c:17]:[c:18]:[n:19]:[c:20]:2.[c:1]-[N:2]	1	3285
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1-[C:10]):[c:8]>>[N+:4](-[c:5](:[c:6](:[c:7])-[N:9]-[C:10]):[c:8])(=[O:12])-[O-:13].[c:1]-[N:2]=[C:3]=[S:11]	1	3286
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:1]-[N+:2](=[O:9])-[O-:10].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:11]	4	3287,3288,3289,3290
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:11].[c:1]-[N+:2](=[O:9])-[O-:10]	3	3291,3292,3293
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:12].[c:1]-[N:2]-[C:9](-[C:10])=[O:11]	1	3294
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:10]-[C:9].[c:1]-[N:2]	2	3295,3296
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[o:7]:1>>[c:3]:1:[n:4]:[c:5]:[c:6]:[o:7]:1.[c:1]-[N:2]	1	3297
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:3](-[c:8](:[c:7](-[N:6]):[c:10]):[c:9])(=[O:11])-[O:12].[N:4]-[C:5]=[O:13].[c:1]-[N:2]	1	3298
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:4]-[C:5]=[O:11].[C:3](-[c:8](:[c:7](-[N+:6](=[O:14])-[O-:15]):[c:10]):[c:9])(=[O:12])-[O:13].[c:1]-[N:2]	1	3299
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[N+:2](=[O:9])-[O-:10].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	1	3300
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	1	3301
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11].[c:1]-[N+:2](=[O:9])-[O-:10]	1	3302
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9].[c:1]-[N:2]	1	3303
+[c:1]-[N:2]=[C:3]=[S:4]>>[C:3](=[S:4])(-[Cl:7])-[Cl:8].[c:1]-[N+:2](=[O:5])-[O-:6]	4	3304,3305,3306,3307
+[c:1]-[N:2]=[C:3]=[S:4]>>[c:1]-[N+:2](=[O:5])-[O-:6].[C:3](=[S:4])(-[Cl:7])-[Cl:8]	1	3308
+[c:1]-[N:2]=[C:3]=[S:4]>>[c:1]-[N+:2](=[O:5])-[O-:6].[C:3](=[S:4])(-[O:7]-[c:8]:1:[n:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)-[O:14]-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[n:20]:2	1	3309
+[c:1]-[N:3](-[C:2])-[N:4]>>[c:1]-[N:3]-[C:2].[N:4](=[O:5])-[O:6]	1	3310
+[c:1]-[N:4]-[C:2](-[c:3])=[O:5]>>[c:1]-[N:4].[C:2](-[c:3])(=[O:5])-[O:6]-[C:7]	1	3311
+[c:1]-[N:5]-[C:3](=[S:2])-[c:4]>>[C:3](-[c:4])(=[O:27])-[Cl:28].[c:1]-[N:5].[S:2]=[P:7]-1(-[S:8]-[P:9](-[c:10]:2:[c:11]:[c:12]:[c:13](-[O:14]-[C:15]):[c:16]:[c:17]:2)(=[S:18])-[S:19]-1)-[c:20]:3:[c:6]:[c:26]:[c:23](:[c:22]:[c:21]:3)-[O:24]-[C:25]	1	3312
+[c:1]-[N:6]-[S:3](-[N:2])(=[O:4])=[O:5]>>[c:1]-[N+:6](=[O:7])-[O-:8].[N:2]-[S:3](=[O:4])(=[O:5])-[Cl:9]	1	3313
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5](=[O:6])-[O:7]>>[C:3](-[C:4])(-[C:5](=[O:6])-[O:7])-[Br:9].[c:1]-[O:2]-[C:8]	1	3314
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[O:6].[c:1]-[O:2]	2	3315,3316
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[c:1]-[O:2]-[C:6].[C:3](-[C:4])(-[C:5])-[O:7]	1	3317
+[c:1]-[O:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[O:7]-[C:8](-[C:9])=[O:10].[c:1]-[O:2]-[C:6]	2	3318,3319
+[c:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6].[c:1]-[O:2]	1	3320
+[c:1]-[O:2]-[C:3]-1(-[C:4](=[O:5])-[O:6])-[C:7]-[C:8]-1>>[C:3](-[C:4](=[O:5])-[O:6])(-[C:7]-[C:8]-[Br:9])-[Br:10].[c:1]-[O:2]	1	3321
+[c:1]-[O:2]-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:7](-[C:8](-[C:9])-[C:10](=[O:11])-[O:14])-[N:12]=[C:13]-1>>[C:8](-[C:9])(-[C:10](=[O:11])-[O:14])-[Br:15].[C:3]-1(=[C:4](-[C:5](=[O:6])-[N:7](-[N:12]=[C:13]-1)-[C:17]-2-[C:18]-[C:19]-[C:20]-[C:21]-[O:22]-2)-[Cl:16])-[Cl:23].[c:1]-[O:2]	1	3322
+[c:1]-[O:2]-[C:3]-[C:4](-[N:5])=[O:6]>>[c:1]-[O:2]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:3](-[C:4](-[N:5])=[O:6])-[I:14]	1	3323
+[c:1]-[O:2]-[C:3]-[C:4](=[O:5])-[N:6]-[c:7]>>[C:3](-[C:4](=[O:5])-[Cl:9])-[Cl:8].[c:1]-[O:2].[N:6]-[c:7]	1	3324
+[c:1]-[O:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])-[Br:8].[c:1]-[O:2]-[C:7]	1	3325
+[c:1]-[O:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[c:1]-[O:2]-[C:7].[C:3](-[C:4](=[O:5])-[O:6])-[Br:8]	1	3326
+[c:1]-[O:2]-[C:3]-[C:4]-[C:5]>>[c:1]-[O:2].[C:3]=[C:4]-[C:5]	1	3327
+[c:1]-[O:2]-[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[C:3](-[C:4]-[Br:11])(=[O:8])-[O:10]-[C:9].[N:5](-[C:6])-[C:7].[c:1]-[O:2]	1	3328
+[c:1]-[O:2]-[C:3]-[C:4]=[C:5](-[Cl:6])-[Cl:7]>>[C:3](-[C:4]=[C:5](-[Cl:6])-[Cl:7])-[Cl:16].[c:1]-[O:2]-[C:8](=[O:9])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	3329
+[c:1]-[O:2]-[C:3]-[C:4]=[O:5]>>[C:3](-[C:4]=[O:5])-[Br:13].[c:1]-[O:2]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	3330
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])(=[O:5])-[O:6]-[C:7]-[C:8].[c:1]-[O:2]	2	3331,3332
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])(=[O:5])-[O:6]-[C:7].[c:1]-[O:2]	1	3333
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:12].[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	4	3334,3335,3336,3337
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:12].[c:1]-[O:2]-[Si:5](-[C:6])(-[C:7])-[C:8](-[C:9])(-[C:10])-[C:11]	1	3338
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:6].[c:1]-[O:2]-[C:5]	7	3339,3340,3341,3342,3343,3344,3345
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Cl:12].[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	4	3346,3347,3348,3349
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Cl:6].[c:1]-[O:2]-[C:5]	4	3350,3351,3352,3353
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:12].[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	3	3354,3355,3356
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[c:1]-[O:2]	2	3357,3358
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:6].[c:1]-[O:2]-[C:5]	3	3359,3360,3361
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2]-[C:5].[C:3](-[C:4])-[Br:6]	2	3362,3363
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2]-[C:5].[C:3](-[C:4])-[O:6]	1	3364
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2]-[Si:5](-[C:6](-[C:7])(-[C:8])-[C:9])(-[C:10])-[C:11].[C:3](-[C:4])-[O:12]	1	3365
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2].[C:3](-[C:4])(=[O:5])-[O:6]	1	3366
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2].[C:3](-[C:4])-[O:5]	4	3367,3368,3369,3370
+[c:1]-[O:2]-[C:3]-[O:4]>>[C:3](-[O:4])-[Cl:6].[c:1]-[O:2]-[C:5]	1	3371
+[c:1]-[O:2]-[C:3]-[c:4](:[c:5]:[o:6]):[n:7]>>[C:3](-[c:4](:[c:5]:[o:6]):[n:7])-[Cl:15].[c:1]-[O:2]-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	3372
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])-[Cl:14].[c:1]-[O:2]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	3373
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])-[O:7].[c:1]-[O:2]	1	3374
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[O:2]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:3](-[c:4](:[n:5]):[c:6])-[Cl:14]	1	3375
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[O:2]-[C:7].[C:3](-[c:4](:[n:5]):[c:6])-[Cl:8]	1	3376
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[O:2].[C:3](-[c:4](:[n:5]):[c:6])-[O:7]	2	3377,3378
+[c:1]-[O:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:3](-[c:4]:[c:5]:[n:6])(=[O:7])-[O:8]-[C:9].[c:1]-[O:2]	1	3379
+[c:1]-[O:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:3](-[c:4]:[c:5]:[n:6])-[O:7].[c:1]-[O:2]	1	3380
+[c:1]-[O:2]-[C:3]-[c:4]:[c:6]:[n:5]>>[C:3](-[c:4]:[c:6]:[n:5])(=[O:7])-[O:8]-[C:9].[c:1]-[O:2]	1	3381
+[c:1]-[O:2]-[C:3]-[c:4]:[c:6]:[n:5]>>[C:3](-[c:4]:[c:6]:[n:5])-[O:7].[c:1]-[O:2]	1	3382
+[c:1]-[O:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:12].[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	1	3383
+[c:1]-[O:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:12].[c:1]-[O:2]-[Si:5](-[C:6](-[C:7])(-[C:8])-[C:9])(-[C:10])-[C:11]	1	3384
+[c:1]-[O:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:6].[c:1]-[O:2]-[C:5]	3	3385,3386,3387
+[c:1]-[O:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:8].[c:1]-[O:2]-[C:5](-[C:6])=[O:7]	1	3388
+[c:1]-[O:2]-[C:3]-[c:4]>>[C:3]-[c:4].[c:1]-[O:2]	1	3389
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1.[C:3](-[c:4])-[Br:12]	1	3390
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2]-[C:5].[C:3](-[c:4])-[Br:6]	2	3391,3392
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2]-[C:5].[C:3](-[c:4])-[Cl:6]	1	3393
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2].[C:3](-[c:4])(-[O:5])=[O:6]	1	3394
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2].[C:3](-[c:4])-[O:5]	1	3395
+[c:1]-[O:2]-[C:3]>>[C:3]-[O:7]-[S:8](-[O:9]-[C:10])(=[O:11])=[O:12].[c:1]-[O:2]-[C:4](-[C:5])=[O:6]	1	3396
+[c:1]-[O:2]-[C:4]-[c:3]>>[c:1]-[O:2]-[C:5].[c:3]-[C:4]-[Br:6]	1	3397
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[c:1]-[O:2]-[C:10].[S:3](=[O:4])(=[O:5])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:11]-[S:12](=[O:13])(=[O:14])-[C:15](-[F:16])(-[F:17])-[F:18]	2	3398,3399
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1>>[S:3](=[O:4])(=[O:5])(-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1)-[Cl:14].[c:1]-[O:2]-[C:13]	1	3400
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1>>[c:1]-[O:2]-[C:13].[S:3](=[O:4])(=[O:5])(-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1)-[Cl:14]	1	3401
+[c:1]-[O:2]-[Si:3](-[C:4])(-[C:5])-[C:6]>>[Si:3](-[C:4])(-[C:5])(-[C:6])-[Cl:8].[c:1]-[O:2]-[C:7]	2	3402,3403
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[O:2]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[c:3](:[c:4])(:[c:5])-[B:13](-[O:14])-[O:15]	2	3404,3405
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[O:2]-[C:6].[c:3](:[c:4])(:[c:5])-[F:7]	1	3406
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[B:13](-[O:14])-[O:15].[c:1]-[O:2]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	3407
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[F:13].[c:1]-[O:2]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	2	3408,3409
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[F:7].[c:1]-[O:2]-[C:6]	1	3410
+[c:1]-[O:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:14].[c:1]-[O:2]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	3411
+[c:1]-[O:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:15].[c:1]-[O:2]-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	2	3412,3413
+[c:1]-[O:2]-[c:3]:1:[c:4](:[c:5](-[O:6]):[n:7]:[n:8]:[c:9]:1)-[Cl:10]>>[C:3]-1(=[C:4](-[C:5](=[O:6])-[N:7](-[N:8]=[C:9]-1)-[C:11]-2-[C:12]-[C:13]-[C:14]-[C:15]-[O:16]-2)-[Cl:10])-[Cl:17].[c:1]-[O:2]	1	3414
+[c:1]-[O:2]-[c:3]:1:[c:4]:[c:5](-[O:6]):[n:7]:[n:8]:[c:9]:1>>[C:3]-1(=[C:4](-[C:5](=[O:6])-[N:7](-[N:8]=[C:9]-1)-[C:11]-2-[C:12]-[C:13]-[C:14]-[C:15]-[O:16]-2)-[Cl:10])-[Cl:17].[c:1]-[O:2]	1	3415
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[n:9]>>[c:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[n:9])-[O:10]	1	3416
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	1	3417
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[N:5](-[C:6])(-[C:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15]	1	3418
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6]-[c:7])-[c:8]>>[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:9].[C:6](-[c:7])=[O:10].[N:5]-[c:8]	1	3419
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6](-[C:7])-[c:8]>>[C:6](-[C:7])(-[c:8])=[O:10].[N:5].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:9]	1	3420
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6]>>[N:5](-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	3421
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6]>>[N:5](-[C:6])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	3422
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:8])-[O-:9].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	3423
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[N:5](-[c:6])-[C:8](-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	3424
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7].[N+:5](-[c:6])(=[O:8])-[O-:9]	1	3425
+[c:1]-[S:2]-[C:3](-[C:4])-[C:5]>>[c:1]-[S:2].[C:3](-[C:4])(-[C:5])-[O:6]	1	3426
+[c:1]-[c:2]:1:[c:3](-[C:4]):[s:5]:[c:6](-[N:7]):[n:8]:1>>[S:5]=[C:6](-[N:7])-[N:8].[c:1]-[C:2](-[C:3]-[C:4])=[O:9]	1	3427
+[c:1]-[c:2]:1:[c:3](-[C:4]):[s:5]:[c:6](-[N:7]-[C:8](=[O:9])-[c:10]):[n:11]:1>>[S:5]=[C:6](-[N:7])-[N:11].[C:8](=[O:9])(-[c:10])-[Cl:12].[c:1]-[C:2](-[C:3]-[C:4])=[O:13]	1	3428
+[c:1]-[c:2]:1:[c:3](-[C:4]):[s:5]:[c:6](-[N:7]-[C:8](=[O:9])-[c:10]):[n:11]:1>>[S:5]=[C:6](-[N:7])-[N:11].[C:8](=[O:9])(-[c:10])-[Cl:14].[c:1]-[C:2](-[C:3](-[C:4])-[Br:12])=[O:13]	1	3429
+[c:1]-[c:2]:1:[c:3](-[N:4]):[n:5]:[n:6]:[c:7]:1-[C:8]>>[C:7](-[C:8])(=[O:9])-[O:10]-[C:11]-[C:12].[C:3]#[N:4].[N:5]-[N:6].[c:1]-[C:2](=[O:13])-[O:14]-[C:15]	1	3430
+[c:1]-[c:2]:1:[c:3](-[N:4]):[n:5]:[n:6]:[c:7]:1-[C:8]>>[c:1]-[C:2]-[C:3]#[N:4].[C:7](-[C:8])(=[O:9])-[O:10]-[C:11]-[C:12].[N:5]-[N:6]	1	3431
+[c:1]-[c:2]:1:[c:3](-[N:4]):[n:5]:[n:6]:[c:7]:1-[C:8]>>[c:1]-[C:2]-[Cl:9].[C:7](-[C:8])(=[O:10])-[O:11]-[C:12]-[C:13].[C:3]#[N:4].[N:5]-[N:6]	1	3432
+[c:1]-[c:2]:1:[c:3](-[N:4]):[n:5]:[n:6]:[c:7]:1-[C:8]>>[c:1]-[C:2]-[O:13].[C:7](-[C:8])(=[O:9])-[O:10]-[C:11]-[C:12].[C:3]#[N:4].[N:5]-[N:6]	1	3433
+[c:1]-[c:2]:1:[c:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[F:8]):[n:9]:[n:10]:1-[c:11]>>[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])(=[O:13])-[O:14]-[C:15]-[C:16].[N:9]-[N:10]-[c:11].[c:1]-[C:2](-[C:3])=[O:12]	1	3434
+[c:1]-[c:2]:1:[c:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[c:1]-[C:2]#[C:3]-[Si:9](-[C:10])(-[C:11])-[C:12].[c:4](:[c:5](:[c:6])-[O:8])(:[c:7])-[I:13]	1	3435
+[c:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[c:4]:1(:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10])-[Br:11].[c:1]-[C:2]#[C:3]	1	3436
+[c:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10].[c:1]-[C:2]#[C:3]	1	3437
+[c:1]-[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7]>>[N:5]-[N:6]-[C:7].[C:4](-[N:9](-[C:8])-[C:10])(-[O:12]-[C:13])-[O:14]-[C:15].[c:1]-[C:2](-[C:3])=[O:11]	1	3438
+[c:1]-[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[c:7](:[n:8]):[c:9]>>[N:5]-[N:6]-[c:7](:[n:8]):[c:9].[C:4](-[N:11](-[C:10])-[C:12])(-[O:14]-[C:15])-[O:16]-[C:17].[c:1]-[C:2](-[C:3])=[O:13]	1	3439
+[c:1]-[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[c:7](:[n:8]:[c:9]:[c:10]):[c:11]>>[c:1]-[C:2](-[C:3]=[C:4]-[N:12](-[C:13])-[C:14])=[O:15].[c:7](:[n:8]:[c:9]:[c:10])(:[c:11])-[Cl:16].[N:5]-[N:6]	1	3440
+[c:1]-[c:2]:1:[c:3]:[n:4](-[c:5](:[c:6]):[c:7]):[n:8]:[n:9]:1>>[N-:4]=[N+:8]=[N-:9].[c:5](:[c:6])(:[c:7])-[F:10].[c:1]-[C:2]#[C:3]	1	3441
+[c:1]-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1-[c:7](:[c:8]):[c:9]>>[c:1]-[C:2]-[C:6](=[O:10])-[O:11].[C:3](=[O:12])-[N:13](-[C:14])-[C:15].[c:7](:[c:8]):[c:9].[N:4]-[N:5]	1	3442
+[c:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[N:6]):[n:7]:1>>[S:4]=[C:5](-[N:6])-[N:7].[c:1]-[C:2](-[C:3])=[O:8]	2	3443,3444
+[c:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[c:6]):[n:7]:1>>[C:5](-[c:6])(-[N:7])=[O:31].[S:4]=[P:10]-1(-[S:11]-[P:12](-[c:13]:2:[c:14]:[c:15]:[c:16](-[O:17]-[C:18]):[c:19]:[c:20]:2)(=[S:21])-[S:22]-1)-[c:23]:3:[c:24]:[c:25]:[c:26](-[O:27]-[C:28]):[c:29]:[c:30]:3.[c:1]-[C:2](-[C:3]-[Br:8])=[O:9]	1	3445
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+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:6]-[O:7].[N:3]#[C:4]-[c:5].[c:1]-[C:2](=[O:8])-[Cl:9]	2	3449,3450
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:6]-[O:7].[N:3]#[C:4]-[c:5].[c:1]-[C:2](=[O:8])-[O:9]	1	3451
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+[c:1]-[n:10]:1:[c:3](-[C:2]):[c:4](-[C:5](=[O:6])-[O:7]):[n:8]:[c:9]:1>>[C:4](-[C:5](=[O:6])-[O:7])-[N+:8]#[C-:9].[c:1]-[N+:10](=[O:12])-[O-:13].[C:2]-[C:3](=[O:11])-[O:14]-[C:15]	1	3467
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+[c:1]-[n:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:1>>[C:3]-1(-[C:4]-[C:5]-[C:6](-[O:9]-1)-[O:10]-[C:11])-[O:12]-[C:13].[c:1]-[N+:2](=[O:7])-[O-:8]	1	3469
+[c:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[n:9]:[c:10]:1:2>>[C:3](-[O:13]-[C:14])(-[O:15]-[C:16])-[O:17]-[C:18].[c:1]-[N:2]-[c:10]:1:[c:5](-[N+:4](=[O:11])-[O-:12]):[c:6]:[n:7]:[c:8]:[n:9]:1	1	3470
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+[c:1]:1(:[n:2]:[c:3](:[c:4]):[c:6](:[c:5]):[c:7]:[c:8]:1)-[O:9]>>[N:2]-[c:3](:[c:4]):[c:6]:[c:5].[C:1](-[C:8]=[C:7]-[c:14]:1:[c:13]:[c:12]:[c:11]:[c:10]:[c:15]:1)(=[O:9])-[Cl:16]	1	3476
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+[c:1]:1(:[n:2]:[c:3](:[c:4]):[c:6](:[c:5]):[c:7]:[n:8]:1)-[Cl:9]>>[N:2]-[c:3](:[c:4]):[c:6](:[c:5])-[C:7]-[O:10].[Cl:9]-[P:11](=[O:12])(-[Cl:13])-[Cl:15].[C:1](-[N:8])(=[O:14])-[N:16]	1	3478
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+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8])-[Cl:9]>>[C:1](-[c:6](:[c:5](-[N:4]):[c:8]):[c:7])(=[O:14])-[O:15].[Cl:9]-[P:10](=[O:11])(-[Cl:12])-[Cl:13].[N:2]-[C:3]=[O:16]	1	3484
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8])-[Cl:9]>>[Cl:9]-[P:11](=[O:12])(-[Cl:13])-[Cl:15].[N:2]-[C:3]=[O:10].[C:1](-[c:6](:[c:5](-[N+:4](=[O:17])-[O-:18]):[c:8]):[c:7])(=[O:14])-[O:16]	1	3485
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+[c:1]:1-[C:2]-[C:3]-[C:4](=[O:5])-[c:6]:1:[c:7]>>[c:1](-[C:2]=[C:3]-[C:4](=[O:5])-[O:8]):[c:6]:[c:7]	1	3490
+[c:1]:1-[C:2]-[N:3](-[c:4])-[C:5](=[O:6])-[c:7]:1>>[c:1](-[C:2]):[c:7]-[C:5](=[O:6])-[O:10]-[C:9]-[C:8].[N:3]-[c:4]	1	3491
+[c:1]:1-[N:2]-[C:3](=[O:4])-[C:5](=[O:6])-[N:7]-[c:8]:1>>[C:3](=[O:4])(-[C:5](=[O:6])-[O:11])-[O:12].[c:1](-[N+:2](=[O:9])-[O-:10]):[c:8]-[N:7]	1	3492
+[c:1]:1-[N:2]-[C:3](=[O:4])-[C:5](=[O:6])-[N:7]-[c:8]:1>>[c:1](-[N+:2](=[O:9])-[O-:10]):[c:8]-[N:7].[C:3](=[O:4])(-[C:5](=[O:6])-[O:11])-[O:12]	1	3493
+[c:1]:1:[c:2](-[C:3]#[N:4]):[c:5]:[n:6]:[c:7]:1>>[c:1]:1:[c:2]:[c:5]:[n:6]:[c:7]:1.[C:3](=[O:8])-[N:9](-[C:10])-[C:11].[N:4]	1	3494
+[c:1]:1:[c:2](-[C:3](-[C:5]=[C:4]-[N:10])=[O:11]):[s:6]:[c:7](:[c:8]:1):[c:9]>>[c:1]:1:[c:2]:[s:6]:[c:7](:[c:8]:1):[c:9].[C:3](-[C:5])(=[O:11])-[Cl:12].[C:4](-[N:10])(-[O:13]-[C:14])-[O:15]-[C:16]	1	3495
+[c:1]:1:[c:2](-[C:3]-[C:4]-[C:5]):[s:6]:[c:7]:[c:8]:1>>[C:3]#[C:4]-[C:5].[c:1]:1:[c:2](:[s:6]:[c:7]:[c:8]:1)-[Br:9]	1	3496
+[c:1]:1:[c:2](-[C:3]-[O:4]):[c:5]:[n:6]:[o:7]:1>>[c:1]:1:[c:2](-[C:3](-[O:4]-[C:9]-[C:10])=[O:8]):[c:5]:[n:6]:[o:7]:1	2	3497,3498
+[c:1]:1:[c:2](-[C:3]-[O:4]-[c:5]):[c:6]:[n:7]:[o:8]:1>>[c:1]:1:[c:2](-[C:3]-[O:9]):[c:6]:[n:7]:[o:8]:1.[O:4]-[c:5]	2	3499,3500
+[c:1]:1:[c:2](-[C:3]-[c:4]):[s:5]:[c:6]:[c:7]:1>>[C:3](-[c:4])=[O:8].[c:1]:1:[c:2]:[s:5]:[c:6]:[c:7]:1	1	3501
+[c:1]:1:[c:2](-[C:3]=[C:4](-[C:5](=[O:6])-[N:7])-[c:8]):[n:9]:[c:10]:[c:11]:1>>[c:1]:1:[c:2]:[n:9]:[c:10]:[c:11]:1.[C:4](-[C:5](=[O:6])-[N:7])-[c:8].[C:3](=[O:12])-[N:13](-[C:14])-[C:15]	2	3502,3503
+[c:1]:1:[c:2](-[N:3](-[C:4])-[C:5]):[n:6](-[c:7](:[c:8]):[c:9]):[c:10](:[c:11]):[c:12]:1>>[N:3](-[C:4])-[C:5].[c:1]:1:[c:2](:[n:6]:[c:10](:[c:11]):[c:12]:1)-[Cl:13].[c:7](:[c:8])(:[c:9])-[B:14](-[O:15])-[O:16]	1	3504
+[c:1]:1:[c:2](-[N:3](-[C:4])-[C:5]):[n:6]:[c:7]:[n:8]:[c:9]:1>>[N:3](-[C:4])-[C:5].[c:1]:1:[c:2](:[n:6]:[c:7]:[n:8]:[c:9]:1)-[O:10]	1	3505
+[c:1]:1:[c:2](-[N:3]-[c:4]):[c:5](:[c:6]:[o:9]:1):[c:8]:[n:7]>>[N+:3](-[c:4])(=[O:18])-[O-:19].[c:1]:1:[c:2](:[c:5](:[c:6]:[o:9]:1):[c:8]:[n:7])-[O:10]-[S:11](=[O:12])(-[C:13](-[F:14])(-[F:15])-[F:16])=[O:17]	1	3506
+[c:1]:1:[c:2](-[N:3]-[c:4]):[c:5]:[c:6]:[n:7]:[c:8]:1:[n:9]>>[c:1]:1:[c:2](:[c:5]:[c:6]:[n:7]:[c:8]:1:[n:9])-[O:10].[N:3]-[c:4]	1	3507
+[c:1]:1:[c:2](-[N:3]-[c:4]):[c:5]:[c:6]:[n:7]:[c:8]:1>>[c:1]:1:[c:2](:[c:5]:[c:6]:[n:7]:[c:8]:1)-[O:9].[N:3]-[c:4]	2	3508,3509
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[n:7]:[n:8]:1>>[c:1]:1:[c:2]:[c:6]:[n:7]:[n:8]:1.[c:3](:[c:4])(:[c:5])-[B:9](-[O:10])-[O:11]	1	3510
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[n:7]:[n:8]:1>>[c:3](:[c:4])(:[c:5])-[B:9](-[O:10])-[O:11].[c:1]:1:[c:2]:[c:6]:[n:7]:[n:8]:1	1	3511
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[n:6]:[c:7]:[n:8]:[c:9]:1>>[c:3](:[c:4])(:[c:5])-[B:10]-1-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15](-[O:16]-1)(-[C:17])-[C:18].[c:1]:1:[c:2](:[n:6]:[c:7]:[n:8]:[c:9]:1)-[O:19]	1	3512
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[o:6]:[c:7]:[c:8]:1>>[c:3](:[c:4])(:[c:5])-[B:9](-[O:10])-[O:11].[c:1]:1:[c:2]:[o:6]:[c:7]:[c:8]:1	1	3513
+[c:1]:1:[c:2](-[c:3]:2:[n:4]:[c:5](-[N:6]):[n:7]:[c:8]:[c:9]:2):[s:10]:[c:11](:[c:12]:1):[c:13]>>[c:1]:1:[c:2]:[s:10]:[c:11](:[c:12]:1):[c:13].[N:4]=[C:5](-[N:6])-[N:7].[C:8](-[O:14]-[C:19])(-[N:15](-[C:16])-[C:22])-[O:20]-[C:21].[C:3](-[C:9])(=[O:17])-[Cl:18]	1	3514
+[c:1]:1:[c:2](:[c:3]):[n:4](-[C:5]-[c:6]):[c:7]:2:[c:8]:1:[c:9](-[O:10]):[c:11]:[c:12]:[c:13]:2>>[c:1]:1:[c:2](:[c:3]):[n:4]:[c:7]-2:[c:8]:1-[C:9](=[O:10])-[C:11]-[C:12]-[C:13]-2.[C:5](-[c:6])-[Br:14]	1	3515
+[c:1]:1:[c:2](:[c:3]):[n:6](:[c:5]:[c:4]):[c:7]:[n:8]:1>>[C:1](-[c:2](:[c:3]):[n:6]:[c:5]:[c:4])-[N:8].[C:7](=[O:9])-[O:10]	1	3516
+[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[N:7]-[C:8]>>[N:7]-[C:8].[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[O:9]	2	3517,3518
+[c:1]:1:[c:2]:2:[c:3]:[c:4]:[n:5]:[c:6]:2:[c:7]:[n:8]:[c:9]:1>>[C:4](-[N:11](-[C:10])-[C:12])=[O:15].[c:1]:1:[c:2](-[C:3]):[c:6](-[N+:5](=[O:13])-[O-:14]):[c:7]:[n:8]:[c:9]:1	1	3519
+[c:1]:1:[c:2]:[c:3](-[C:4]-[C:5]):[c:6]:[n:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:6]:[n:7]:1.[C:4](-[C:5])(=[O:8])-[Cl:9]	1	3520
+[c:1]:1:[c:2]:[c:3](-[C:4]-[N:5](-[C:6])-[C:7]):[c:8]:[n:9]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[c:2]:[c:3]:[c:8]:[n:9]:1.[C:4](=[O:10])-[N:11](-[C:12])-[C:13]	1	3521
+[c:1]:1:[c:2]:[c:3](-[N:4](-[C:5])-[C:6]):[n:7]:[c:8]:[n:9]:1>>[N:4](-[C:5])-[C:6].[c:1]:1:[c:2]:[c:3](:[n:7]:[c:8]:[n:9]:1)-[O:10]	1	3522
+[c:1]:1:[c:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[n:8]:1>>[N:4]-[C:5].[c:1]:1:[c:2]:[c:3](:[n:6]:[c:7]:[n:8]:1)-[O:9]	1	3523
+[c:1]:1:[c:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[n:8]:1>>[c:1]:1:[c:2]:[c:3](:[n:6]:[c:7]:[n:8]:1)-[Cl:9].[N:4]-[C:5]	1	3524
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[n:7]:[n:8]:[c:9]:2>>[N:8](=[O:12])-[O:13].[c:1]:1:[c:2]:[c:3](:[c:4](:[c:5]:[n:6]:1)-[N+:7](=[O:10])-[O-:11])-[C:9]	1	3525
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[n:5]:[c:6](-[C:7]):[n:8]:2-[c:9]):[c:10]:[n:11]:1>>[C:6](-[C:7])(-[O:14]-[C:15](-[C:16])=[O:17])=[O:18].[c:1]:1:[c:2]:[c:3](:[c:4](-[N+:5](=[O:12])-[O-:13]):[c:10]:[n:11]:1)-[N:8]-[c:9]	1	3526
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5](=[O:6])-[N:7]-[C:8]):[n:9]:1>>[C:5](=[O:6])(-[C:11](-[Cl:10])(-[Cl:12])-[Cl:13])-[Cl:14].[N:7]-[C:8].[c:1]:1:[c:2]:[c:3]:[c:4]:[n:9]:1	1	3527
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[n:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:8]:1.[O:7]=[C:9](-[C:10])-[C:11].[C:5](=[O:6])(-[C:13](-[Cl:12])(-[Cl:14])-[Cl:15])-[Cl:16]	1	3528
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[s:8]:1.[C:5](=[O:6])-[N:9](-[C:10])-[C:11].[O:7]	1	3529
+[c:1]:1:[c:2]:[c:3]:[c:4](-[S:5](=[O:6])(=[O:7])-[N:8](-[C:9])-[C:10]):[s:11]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[s:11]:1.[S:5](=[O:6])(=[O:7])(-[Cl:12])-[O:13].[N:8](-[C:9])-[C:10]	1	3530
+[c:1]:1:[c:2]:[c:3]:[c:4](-[S:5](=[O:6])(=[O:7])-[N:8]):[s:9]:1>>[N:8].[S:5](=[O:6])(=[O:7])(-[Cl:10])-[Cl:11].[c:1]:1:[c:2]:[c:3]:[c:4]:[s:9]:1	1	3531
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:8]:1.[c:5](:[c:6])(:[c:7])-[B:9](-[O:10])-[O:11]	1	3532
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[N:7]):[s:8]:[c:9]:2:[n:10]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](-[N+:7](=[O:11])-[O-:12]):[c:9]:[n:10]:1.[N:5]#[C:6]-[S:8]	1	3533
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[N:7]-[C:8](=[O:9])-[C:10]):[s:11]:[c:12]:2:[n:13]:1>>[C:8](=[O:9])(-[C:10])-[Cl:14].[c:1]:1:[c:2]:[c:3]:[c:4](-[N:7]):[c:12]:[n:13]:1.[N:5]#[C:6]-[S:11]	1	3534
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[N:7]-[C:8](=[O:9])-[C:10]):[s:11]:[c:12]:2:[n:13]:1>>[C:8](=[O:9])(-[C:10])-[Cl:16].[c:1]:1:[c:2]:[c:3]:[c:4](-[N+:7](=[O:14])-[O-:15]):[c:12]:[n:13]:1.[N:5]#[C:6]-[S:11]	1	3535
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[c:7](:[n:8]):[c:9]):[n:10]:[c:11]:2:[n:12]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](-[N+:5](=[O:13])-[O-:14]):[c:11](-[N:10]):[n:12]:1.[C:6](-[c:7](:[n:8]):[c:9])=[O:15]	1	3536
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6]):[n:7]:1>>[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:7]:1)-[S:9]-[C:8].[N:6]	1	3537
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:1>>[N:6]-[C:7].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:8]:1)-[S:9]-[C:10]	1	3538
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[n:7]:[c:8](:[c:9]:2:[c:10]):[c:11]>>[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[c:6]:1-[N:7])-[c:9](:[c:8]:[c:11]):[c:10]	1	3539
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:2:[c:6](-[C:7]):[n:8]:[n:9]:[c:10]:1:2>>[C:6](-[C:7])(=[O:11])-[O:12].[c:1]:1:[c:2]:[c:3]:[n:9]:[n:5]:[c:10]:1-[N:4]-[N:8]	1	3540
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5])-[C:6]):[n:7]:[c:8]:1>>[C:4](-[C:5])(-[C:6])-[O:9].[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1	1	3541
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5])-[C:6]):[n:7]:[c:8]:1>>[C:4](-[C:5])(-[C:6])=[O:9].[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1	1	3542
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5])-[C:6]):[n:7]:[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1.[C:4](-[C:5])(-[C:6])-[O:9]	1	3543
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5]-[C:6]#[N:7])(-[C:8])-[C:9]):[n:10]:[c:11]:1>>[C:4](-[C:8])(-[C:9])=[O:12].[c:1]:1:[c:2]:[n:3]:[n:10]:[c:11]:1.[C:5](-[C:6]#[N:7])-[P:13](-[O:14]-[C:15]-[C:16])(=[O:17])-[O:18]-[C:19]-[C:20]	1	3544
+[c:1]:1:[c:2]:[n:3](-[C:4]-[c:5]):[c:6](:[c:7]):[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:6](:[c:7]):[c:8]:1.[C:4]-[c:5]	1	3545
+[c:1]:1:[c:2]:[n:3](-[C:4]-[c:5]):[n:6]:[c:7]:1>>[C:4](-[c:5])-[O:8].[c:1]:1:[c:2]:[n:3]:[n:6]:[c:7]:1	1	3546
+[c:1]:1:[c:2]:[n:3](-[N:4]-[C:5](=[O:6])-[c:7](:[c:8]:[n:9]):[c:11]:[n:10]):[c:12](:[c:13]):[c:14]:1>>[C:5](=[O:6])(-[c:7](:[c:8]:[n:9]):[c:11]:[n:10])-[O:15]-[C:16]-[C:17].[c:1]:1:[c:2]:[n:3](-[N:4]):[c:12](:[c:13]):[c:14]:1	1	3547
+[c:1]:1:[c:2]:[n:3](-[S:4](=[O:5])(=[O:6])-[c:7]:[c:9]:[n:8]):[c:10](-[c:11](:[c:12]):[c:13]):[c:14]:1>>[c:1]:1:[c:2]:[n:3]:[c:10](:[c:14]:1)-[Br:15].[S:4](=[O:5])(=[O:6])(-[c:7]:[c:9]:[n:8])-[Cl:16].[c:11](:[c:12])(:[c:13])-[B:17](-[O:18])-[O:19]	1	3548
+[c:1]:1:[c:2]:[n:3](-[c:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:2):[c:10]:[n:11]:1>>[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[O:12].[c:1]:1:[c:2]:[n:3]:[c:10]:[n:11]:1	1	3549
+[c:1]:1:[c:2]:[n:3]:[c:4](-[C:5]):[n:6]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:6]:1.[C:5]-[B:7]-1-[O:8]-[B:9](-[O:10]-[B:11](-[C:12])-[O:13]-1)-[C:14]	1	3550
+[c:1]:1:[c:2]:[n:3]:[c:4](-[C:5]=[C:6](-[C:7](=[O:8])-[N:9])-[c:10]):[c:11]:1>>[C:6](-[C:7](=[O:8])-[N:9])-[c:10].[C:5](=[O:12])-[N:13](-[C:14])-[C:15].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:11]:1	1	3551
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:[c:9]:1>>[N:5](-[C:6])(-[C:7])-[C:11](=[O:12])-[O:13]-[C:14]-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1.[c:1]:1:[c:2]:[n:3]:[c:4](:[n:8]:[c:9]:1)-[Cl:10]	1	3552
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[s:8]:1>>[N:5](-[C:6])(-[C:7])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:1]:1:[c:2]:[n:3]:[c:4](:[s:8]:1)-[Br:9]	1	3553
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]):[n:7]:[c:8]:1>>[N:5]-[C:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[S:10]-[C:9]	1	3554
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[Cl:9].[N+:5](-[c:6])(=[O:10])-[O-:11]	1	3555
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2):[n:11]:[c:12]:1>>[N+:5](-[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1)(=[O:14])-[O-:15].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:11]:[c:12]:1)-[Cl:13]	1	3556
+[c:1]:1:[c:2]:[n:3]:[c:4]-2:[c:5](:[n:6]:1)-[C:7]-[C:8]-[C:9]-[N:10]-2-[C:11]-[C:12]>>[C:11](-[C:12])=[O:13].[c:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5](:[n:6]:1):[c:7]:[c:8]:[c:9]:[n:10]:2	2	3557,3558
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[N:7]-[c:8]:[c:10]:[n:9]>>[N+:7](-[c:8]:[c:10]:[n:9])(=[O:12])-[O-:13].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[Cl:11]	1	3559
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[N:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[Cl:10].[N+:7](-[c:8])(=[O:9])-[O-:11]	1	3560
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[N:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[Cl:9].[N+:7](-[c:8])(=[O:10])-[O-:11]	1	3561
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:6](:[s:5]):[c:7]:1-[N:8]-[C:9]>>[N:8]-[C:9].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:6](:[s:5]):[c:7]:1-[O:10]	1	3562
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[C:7]#[C:8]>>[C:7](#[C:8])-[Si:9](-[C:10])(-[C:11])-[C:12].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:13]	1	3563
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[C:7]-[C:8]-[c:9]>>[C:7]#[C:8]-[c:9].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:10]	1	3564
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[C:7]-[C:8]-[c:9]>>[C:7](#[C:8]-[c:9])-[Si:10](-[C:11])(-[C:12])-[C:13].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:14]	1	3565
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7](-[C:8])-[C:9]>>[N:7](-[C:8])(-[C:9])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:10]	1	3566
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[C:8]>>[N:7]-[C:8].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:9]	2	3567,3568
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[S:8](=[O:9])(=[O:10])-[C:11]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:12].[N:7].[S:8](=[O:9])(=[O:10])(-[C:11])-[Cl:13]	1	3569
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[c:8](:[c:9]):[n:10]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:11].[N:7]-[c:8](:[c:9]):[n:10]	1	3570
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:9].[N:7]-[c:8]	2	3571,3572
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:9].[O:7]-[c:8]	1	3573
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:7]:1-[N:6]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:7]:1-[Cl:10].[N-:6]=[N+:9]=[N-:8]	1	3574
+[c:1]:1:[c:2]:[s:3]:[c:4]:2:[c:5]:1:[c:6](-[N:7]-[c:8]):[n:9]:[c:10]:[n:11]:2>>[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1-[C:6](=[O:12])-[O:13]-[C:14]-[C:15])-[N:11].[N:7]-[c:8].[N:9]-[C:10]=[O:16]	1	3575
+[c:1]:1:[c:2]:[s:3]:[c:4]:2:[c:5]:1:[c:6](:[n:7]:[c:8]:[n:9]:2)-[Cl:10]>>[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1-[C:6](=[O:15])-[O:16]-[C:17]-[C:18])-[N:9].[Cl:10]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[N:7]-[C:8]=[O:19]	1	3576
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[N:4](-[C:5])=[N+:10]=[N-:11].[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	1	3577
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[N:4]-[C:5].[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10]-[C:9]	3	3578,3579,3580
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10]-[C:9].[N:4]-[C:5]	2	3581,3582
+[c:1]:1:[n:2]:[c:3](-[N:4]-[c:5]):[n:6]:[c:7]:[c:8]:1>>[N+:4](-[c:5])(=[O:10])-[O-:11].[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	2	3583,3584
+[c:1]:1:[n:2]:[c:3](-[N:4]-[c:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[Cl:9].[N+:4](-[c:5])(=[O:10])-[O-:11]	1	3585
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5](-[c:6])-[C:7](-[F:8])(-[F:9])-[F:10]):[c:11]:[c:12]:[n:13]:1>>[C:7](-[F:8])(-[F:9])(-[F:10])-[Si:15](-[C:16])(-[C:17])-[C:18].[O:4]=[C:5]-[c:6].[c:1]:1:[n:2]:[c:3](:[c:11]:[c:12]:[n:13]:1)-[Cl:14]	1	3586
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5](-[c:6])-[C:7](-[F:8])(-[F:9])-[F:10]):[c:11]:[c:12]:[n:13]:1>>[C:7](-[F:8])(-[F:9])(-[F:10])-[Si:15](-[C:16])(-[C:17])-[C:18].[c:1]:1:[n:2]:[c:3](:[c:11]:[c:12]:[n:13]:1)-[Cl:14].[O:4]=[C:5]-[c:6]	1	3587
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5]):[c:6]:[c:7]:[n:8]:1>>[c:1]:1:[n:2]:[c:3](:[c:6]:[c:7]:[n:8]:1)-[O:9].[O:4]-[C:5]	1	3588
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10]-[C:9].[O:4]-[C:5]	1	3589
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+[c:1]:1:[n:2]:[c:3]:2:[c:4](:[n:5]:[n:6]:[n:7]:2-[C:8]):[c:9]:[n:10]:1>>[c:1]:1:[n:2]:[c:3](:[c:4](-[N+:5](=[O:11])-[O-:12]):[c:9]:[n:10]:1)-[N:7]-[C:8].[N:6](=[O:13])-[O:14]	1	3593
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+[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:[c:9]:1>>[N:5](-[C:6])(-[C:7])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[c:1]:1:[n:2]:[c:3]:[c:4](:[n:8]:[c:9]:1)-[Cl:10]	1	3598
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[c:9]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[n:8]:[c:9]:1)-[Br:10].[c:5](:[c:6])(:[c:7])-[Br:11]	1	3599
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[c:9]:1>>[c:5](:[c:6])(:[c:7])-[B:10](-[O:11])-[O:12].[c:1]:1:[n:2]:[c:3]:[c:4]:[n+:8](:[c:9]:1)-[O-:13]	1	3600
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[c:9]:1>>[c:5](:[c:6])(:[c:7])-[B:12](-[O:13])-[O:14].[c:1]:1:[n:2]:[c:3]:[c:4](:[n+:8](:[c:9]:1)-[O-:11])-[Cl:10]	1	3601
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[s:8]:1>>[c:5](:[c:6])(:[c:7])-[B:9]-1-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14](-[O:15]-1)(-[C:16])-[C:17].[c:1]:1:[n:2]:[c:3]:[c:4]:[s:8]:1	1	3602
+[c:1]:1:[n:2]:[c:3]:[c:4](:[n:5]:[c:6]:1)-[Cl:7]>>[Cl:7]-[P:9](=[O:10])(-[Cl:11])-[Cl:12].[c:1]:1:[n:2]:[c:3]:[c:4]:[n+:5](:[c:6]:1)-[O-:8]	1	3603
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[Cl:6]):[c:7]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:7]:1)-[O:12]-[C:13].[Cl:6]-[P:9](-[Cl:8])(=[O:10])-[Cl:11]	1	3604
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6](-[C:7])-[C:8]):[c:9]:1>>[N:6](-[C:7])-[C:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[O:10]	2	3605,3606
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6](-[C:7])-[C:8]):[n:9]:1>>[N:6](-[C:7])-[C:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:9]:1)-[O:10]	2	3607,3608
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]):[c:7]:1>>[N-:6]=[N+:9]=[N-:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:7]:1)-[Cl:10]	1	3609
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+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]-[N:7]=[C:8](-[C:9])-[c:10]):[n:11]:1>>[N:6]-[N:7].[C:8](-[C:9])(-[c:10])=[O:13].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:11]:1)-[Cl:12]	1	3611
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]-[c:7]):[c:8]:1>>[N+:6](-[c:7])(=[O:10])-[O-:11].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[Cl:9]	1	3612
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[c:8]:1:[s:9]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1:[s:9])-[Cl:10].[O:6]-[c:7]	1	3613
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[c:8]:1>>[O:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[O:9]	1	3614
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[n:8]:1>>[O:6](-[c:7])-[C:10].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:8]:1)-[Cl:9]	1	3615
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[n:8]:1>>[O:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:8]:1)-[O:9]	1	3616
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:6]:1)-[Cl:7]>>[Cl:7]-[P:8](=[O:9])(-[Cl:10])-[Cl:11].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:6]:1)-[O:12]-[C:13]	1	3617
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:[n:6]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:6]:1)-[O:7]	1	3618
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:8](-[C:7]#[C:5]-[C:6]):[c:9]:1>>[C:5](-[C:6])#[C:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:8]:[c:9]:1	1	3619
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+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[C:7]>>[C:6](-[C:7])=[O:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1	1	3621
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[c:7]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1.[C:6]-[c:7]	1	3622
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[O:7]-[c:8]>>[O:7](-[c:8])-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1.[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[Cl:9]	1	3623
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[C:6]-[N:7]):[c:8]:1>>[C:6]#[N:7].[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[Cl:9]	1	3624
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[c:8]:1>>[N:6](-[C:7])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[Cl:9]	1	3625
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[c:8]:1>>[N:6]-[C:7].[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[O:9]	1	3626
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[N:6]-[c:7]):[c:8]:1>>[N:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[O:9]	1	3627
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[N:6]-[c:7]):[c:8]:1>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[Cl:9].[N+:6](-[c:7])(=[O:10])-[O-:11]	1	3628
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[S:6]-[c:7]):[c:8]:1>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[O:9].[S:6]-[c:7]	1	3629
+[c:1]:1:[n:2]:[n:3](-[C:4](-[C:5])-[C:6]):[c:7]:[c:8]:1>>[C:4](-[C:5])(-[C:6])-[O:9].[c:1]:1:[n:2]:[n:3]:[c:7]:[c:8]:1	1	3630
+[c:1]:1:[n:2]:[n:3](-[C:4]-[c:5]):[c:6]:[c:7]:1>>[c:1]:1:[n:2]:[n:3]:[c:6]:[c:7]:1.[C:4](-[c:5])-[O:8]	1	3631
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:1):[c:6]:[c:7](-[c:8]):[n:9]:[c:10]:2-[N:11]-[C:12]>>[N:11]-[C:12].[c:1]:1:[n:2]:[n:3]-2:[c:4](:[n:5]:1)-[C:6]=[C:7](-[c:8])-[N:9]-[C:10]-2=[O:13]	1	3632
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:[n:6]:[c:7]:2-[C:8]):[c:9]:[c:10]:1>>[C:7](-[C:8])(=[O:11])-[O:12].[c:1]:1:[n:2]:[n:3]:[c:4](-[N:5]-[N:6]):[c:9]:[c:10]:1	1	3633
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:[n:6]:[c:7]:2-[C:8]):[c:9]:[c:10]:1>>[C:7](-[C:8])(=[O:11])-[O:13]-[C:14].[N:5]-[N:6].[c:1]:1:[n:2]:[n:3]:[c:4](:[c:9]:[c:10]:1)-[Cl:12]	1	3634
+[c:1]:1:[n:2]:[n:3]:2:[c:4]:[c:5](-[c:6]):[n:7]:[c:8]:2:[c:9]:[c:10]:1>>[C:4]-[C:5](-[c:6])=[O:11].[c:1]:1:[n:2]:[n:3]:[c:8](-[N:7]):[c:9]:[c:10]:1	1	3635
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:8]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1.[c:6](:[c:7])(:[c:8])-[B:9](-[O:10])-[O:11]	1	3636
+[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[N:6]-[C:7](=[O:8])-[O:9]-[C:10]>>[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[C:7](=[O:8])-[O:27]-[C:28].[O:9]-[C:10].[N:6](=[N+:11]=[N-:12])-[P:13](=[O:14])(-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)-[c:21]:2:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:2	1	3637
+[c:1]:[c:12]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6](-[c:7](:[c:8]):[c:9]):[n:10]:[c:11]:1>>[c:1]:[c:12]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6]:[n:10]:[c:11]:1.[c:7](:[c:8])(:[c:9])-[B:13](-[O:14])-[O:15]	1	3638
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[B:3](-[O:4])(-[O:5])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15].[c:1]:[c:2]:[c:6]	1	3639
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[B:3](-[O:4]-[C:8])(-[O:5]-[C:7])-[O:9]-[C:10].[c:1]:[c:2]:[c:6]	1	3640
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[B:3]-1(-[O:4]-[C:8](-[C:7])(-[C:9])-[C:10](-[O:5]-1)(-[C:11])-[C:12])-[B:13]-2-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18](-[O:19]-2)(-[C:20])-[C:21].[c:1]:[c:2](:[c:6])-[Br:22]	1	3641
+[c:1]:[c:2](-[Br:3]):[c:4]>>[Br:3].[c:1]:[c:2](:[c:4])-[N+:5](-[O-:6])=[O:7]	1	3642
+[c:1]:[c:2](-[Br:3]):[c:4]>>[Br:3].[c:1]:[c:2](:[c:4])-[N+:5](=[O:6])-[O-:7]	1	3643
+[c:1]:[c:2](-[C:3]#[C:4]):[c:5]>>[C:3](#[C:4])-[Si:7](-[C:8])(-[C:9])-[C:10].[c:1]:[c:2](:[c:5])-[Br:6]	3	3644,3645,3646
+[c:1]:[c:2](-[C:3]#[C:4]):[c:5]>>[C:3](#[C:4])-[Si:7](-[C:8])(-[C:9])-[C:10].[c:1]:[c:2](:[c:5])-[I:6]	3	3647,3648,3649
+[c:1]:[c:2](-[C:3]#[C:4]):[c:5]>>[C:3](#[C:4])-[Si:8](-[C:6])(-[C:9])-[C:10].[c:1]:[c:2](:[c:5])-[I:7]	1	3650
+[c:1]:[c:2](-[C:3]#[C:4]-[Si:7](-[C:6])(-[C:8])-[C:9]):[c:5]>>[C:3]#[C:4]-[Si:7](-[C:6])(-[C:8])-[C:9].[c:1]:[c:2]:[c:5]	1	3651
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[C-:3](#[N:4])~[Cu+:6].[c:1]:[c:2]:[c:5]	1	3652
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[C:3]#[N:4].[c:1]:[c:2](:[c:5])-[O:6]	1	3653
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[c:1]:[c:2]:[c:5].[C-:3](#[N:4])~[Cu+:6]	1	3654
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]:[c:6]:[c:7]>>[C:3](#[N:4])-[Si:8](-[C:9])(-[C:10])-[C:11].[c:1]:[c:2]:[n:5]:[c:6]:[c:7]	2	3655,3656
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]:[c:6]:[c:7]>>[C:3](#[N:4])-[Si:9](-[C:10])(-[C:11])-[C:12].[c:1]:[c:2]:[n+:5](:[c:6]:[c:7])-[O-:8]	1	3657
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]:[c:6]:[c:7]>>[c:1]:[c:2](:[n:5]:[c:6]:[c:7])-[O:8].[C:3]#[N:4]	1	3658
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]:[c:6]:[c:7]>>[c:1]:[c:2]:[n+:5](:[c:6]:[c:7])-[O-:8].[C:3](#[N:4])-[Si:9](-[C:10])(-[C:11])-[C:12]	1	3659
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]>>[N:4].[c:1]:[c:2](-[C:3](=[O:6])-[O:7]):[n:5]	2	3660,3661
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]>>[c:1]:[c:2](-[C:3](=[O:6])-[O:7]):[n:5].[N:4]	1	3662
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]>>[c:1]:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[n:5].[N:4]	2	3663,3664
+[c:1]:[c:2](-[C:3](-[C:4](-[C:5])-[Br:8])=[O:7]):[c:6]>>[Br:8].[C:3](-[C:4]-[C:5])(=[O:7])-[Cl:9].[c:1]:[c:2]:[c:6]	1	3665
+[c:1]:[c:2](-[C:3](-[C:4])-[C:5]):[c:6]>>[C:3](-[C:4])(-[C:5])=[O:7].[c:1]:[c:2](:[c:6])-[Br:8]	1	3666
+[c:1]:[c:2](-[C:3](-[C:4])-[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:8].[C:3](-[C:4])(-[c:5])=[O:7]	1	3667
+[c:1]:[c:2](-[C:3](-[N:4])=[N:5]-[O:6]):[c:7]>>[C-:3](#[N:4])~[Cu+:8].[N:5]-[O:6].[c:1]:[c:2](:[c:7])-[Br:9]	1	3668
+[c:1]:[c:2](-[C:3](-[N:4])=[O:6]):[n:5]>>[c:1]:[c:2](-[C:3](=[O:6])-[O:7]):[n:5].[N:4]	1	3669
+[c:1]:[c:2](-[C:3](-[O:4])(-[C:5])-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[C:3](-[O:4])(-[C:5])-[C:6]	1	3670
+[c:1]:[c:2](-[C:3](-[O:4])-[C:5]#[C:6]):[c:7]>>[C:3](=[O:4])-[N:8](-[C:9])-[C:10].[c:1]:[c:2](:[c:7])-[Br:11].[C:5](#[C:6])-[Mg:12]-[Br:13]	1	3671
+[c:1]:[c:2](-[C:3](-[c:4])-[O:6]):[c:5]>>[C:3](-[c:4])(=[O:6])-[Cl:7].[c:1]:[c:2]:[c:5]	2	3672,3673
+[c:1]:[c:2](-[C:3](=[C:4])-[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:8].[C:3](-[C:4])(-[c:5])=[O:7]	1	3674
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[C:3](-[C:4]-[C:5])(-[C:6])=[O:8].[c:1]:[c:2](:[c:7])-[Br:9]	1	3675
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[C:3](-[C:4]-[C:5])(-[C:6])=[O:8].[c:1]:[c:2](:[c:7])-[Mg:9]-[Br:10]	1	3676
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[C:3](-[C:4]-[C:5])(-[C:6])=[O:8].[c:1]:[c:2]:[c:7]	1	3677
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[C:3](=[C:4]-[C:5])(-[C:6])-[B:8]-1-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13](-[O:14]-1)(-[C:15])-[C:16].[c:1]:[c:2]:[c:7]	1	3678
+[c:1]:[c:2](-[C:3](=[O:4])-[C:5](-[Br:6])-[C:7]):[c:8]>>[Br:6]-[Br:10].[C:3](=[O:4])(-[C:5]-[C:7])-[Cl:9].[c:1]:[c:2]:[c:8]	1	3679
+[c:1]:[c:2](-[C:3](=[O:4])-[C:5]):[c:6]>>[C:3](=[O:4])(-[C:5])-[O:7].[c:1]:[c:2]:[c:6]	1	3680
+[c:1]:[c:2](-[C:3](=[O:4])-[C:5]-[C:6](-[N:7]-[C:8](-[C:9])=[O:10])(-[C:11](=[O:12])-[O:13])-[C:14](=[O:15])-[O:16]):[c:17]>>[C:3](=[O:4])(-[C:5]-[Cl:18])-[Cl:19].[C:6](-[N:7]-[C:8](-[C:9])=[O:10])(-[C:11](=[O:12])-[O:13])-[C:14](=[O:15])-[O:16].[c:1]:[c:2]:[c:17]	1	3681
+[c:1]:[c:2](-[C:3](=[O:4])-[Cl:5]):[c:6]>>[C:3](=[C:14])-[Sn:15](-[C:16]-[C:17]-[C:18]-[C:19])(-[C:20]-[C:21]-[C:22]-[C:23])-[C:24]-[C:25]-[C:26]-[C:27].[Cl:5]-[S:11](=[O:12])-[Cl:13].[O:4]=[Os:7](=[O:8])(=[O:9])=[O:10].[c:1]:[c:2](:[c:6])-[I:28]	1	3682
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[n:8]>>[N:5](-[C:6])-[C:7].[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[n:8]	1	3683
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[n:8]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[n:8].[N:5](-[C:6])-[C:7]	1	3684
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[O:7]):[n:8]>>[N:5](-[C:6])-[O:7].[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]):[n:8]	1	3685
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5](-[O:6])-[C:7]):[n:8]>>[N:5](-[O:6])-[C:7].[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]):[n:8]	1	3686
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[c:1]:[c:2](:[c:7])-[Br:8].[C:3](=[O:4])-[N:9](-[C:10])-[C:11]	1	3687
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]:[n:8]>>[N:5]-[C:6].[c:1]:[c:2](:[n:7]:[n:8])-[Cl:9].[C:3](=[O:4])(-[O:10])-[O:11]	1	3688
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]>>[N:5]-[C:6].[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[n:7]	2	3689,3690
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]>>[N:5]-[C:6].[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]-[C:10]):[n:7]	1	3691
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[s:7]>>[N:5](-[C:6])(-[C:9](-[C:10])(-[C:11])-[C:12])-[C:13](=[O:14])-[O:15].[c:1]:[c:2](-[C:3](=[O:4])-[O:8]):[s:7]	1	3692
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[s:7]>>[N:5]-[C:6].[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[s:7]	3	3693,3694,3695
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[s:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[s:7].[N:5]-[C:6]	1	3696
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-[C:8](-[N:7])=[O:9]):[n:10]>>[N:5]-[C:6]-[C:8](-[N:7])=[O:9].[c:1]:[c:2](-[C:3](=[O:4])-[O:11]-[C:12]-[C:13]):[n:10]	1	3697
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-[C:8](-[N:7])=[O:9]):[n:10]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:11]):[n:10].[N:5](-[C:6]-[C:8](-[N:7])=[O:9])-[C:12](=[O:13])-[O:14]-[C:15]-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1	1	3698
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[n:7]>>[N:5]-[c:6].[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]-[C:10]):[n:7]	1	3699
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[n:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[n:7].[N:5]-[c:6]	1	3700
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[n:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]-[C:10]):[n:7].[N:5]-[c:6]	1	3701
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[o:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[o:7].[N:5]-[c:6]	1	3702
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]:[c:8]:[n:7]):[n:9]>>[N+:5](-[c:6]:[c:8]:[n:7])(=[O:11])-[O-:12].[c:1]:[c:2](-[C:3](=[O:4])-[O:10]):[n:9]	1	3703
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]):[c:6]>>[C:3]=[O:4].[O:5]-[C:7].[c:1]:[c:2](:[c:6])-[Br:8]	1	3704
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]):[c:6]>>[O:5]-[C:7].[c:1]:[c:2](:[c:6])-[Br:8].[C:3](=[O:4])-[N:9](-[C:10])-[C:11]	1	3705
+[c:1]:[c:2](-[C:3](=[O:4])-[O:6]):[c:5]>>[C:3]=[O:4].[c:1]:[c:2](:[c:5])-[Br:8].[O:6]-[C:7]	1	3706
+[c:1]:[c:2](-[C:3](=[O:4])-[O:6]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:8].[O:6]-[C:7].[C:3](=[O:4])-[N:9](-[C:10])-[C:11]	1	3707
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8]):[c:9]>>[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8].[c:1]:[c:2](:[c:9])-[Br:10]	1	3708
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])(-[c:5])-[O:7].[c:1]:[c:2]:[c:6]	1	3709
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])(-[c:5])-[O:8].[c:1]:[c:2](:[c:6])-[Br:7]	1	3710
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])-[c:5].[c:1]:[c:2](:[c:6])-[Br:7]	2	3711,3712
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])-[c:5].[c:1]:[c:2]:[c:6]	1	3713
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[C:3](=[O:4])-[c:5]	1	3714
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]:[c:7]:[n:6]):[c:8]>>[C:3](=[O:4])(-[c:5]:[c:7]:[n:6])-[O:10].[c:1]:[c:2](:[c:8])-[Br:9]	1	3715
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5]-[N:6]-[C:7]-[C:8]-1):[c:9]>>[c:1]:[c:2](:[c:9])-[Br:10].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[B:11](-[O:12])-[O:13]	1	3716
+[c:1]:[c:2](-[C:3]-1-[C:4]-[O:5]-1):[c:6]>>[O:5]-[O:12]-[C:13](=[O:14])-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19](-[Cl:20]):[c:21]:1.[C:3](=[C:4])-[B-:7](-[F:8])(-[F:9])-[F:10].[c:1]:[c:2](:[c:6])-[Br:11]	1	3717
+[c:1]:[c:2](-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:7](-[C:8])-[C:9]=[C:10]-1):[c:11]>>[C:8]-[I:22].[c:1]:[c:2](:[c:11])-[B:12]-1-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17](-[O:18]-1)(-[C:19])-[C:20].[c:3]:1(:[c:4]:[c:5](-[O:6]):[n:7]:[c:9]:[c:10]:1)-[I:21]	1	3718
+[c:1]:[c:2](-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-1):[c:10]>>[C:3]-1(=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-1)-[I:12].[c:1]:[c:2](:[c:10])-[Br:11]	1	3719
+[c:1]:[c:2](-[C:3]-[C:4](-[C:5])=[C:6]):[c:7]>>[C:3](-[C:4](-[C:5])=[C:6])-[Cl:8].[c:1]:[c:2]:[c:7]	1	3720
+[c:1]:[c:2](-[C:3]-[C:4](=[N:5])-[C:6]=[O:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[Cl:9].[C:3](-[C:4](=[N:5])-[C:6]=[O:7])-[Cl:10]	1	3721
+[c:1]:[c:2](-[C:3]-[C:4](=[O:6])-[O:7]):[c:5]>>[C:3](-[C:4](=[O:6])-[O:7])-[C:11](-[O:10]-[C:9]-[C:8])=[O:12].[c:1]:[c:2](:[c:5])-[F:13]	1	3722
+[c:1]:[c:2](-[C:3]-[C:4]):[c:5]>>[C:3](-[C:4])(=[O:6])-[O:7].[c:1]:[c:2]:[c:5]	1	3723
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5](=[O:6])-[c:7]):[c:8]>>[C:3]=[C:4]-[Mg:10]-[Br:11].[c:1]:[c:2](:[c:8])-[I:9].[C:5](=[O:6])-[c:7]	1	3724
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5](=[O:7])-[O:8]):[n:6]>>[c:1]:[c:2](-[C:3]=[O:9]):[n:6].[C:4](-[C:5](=[O:7])-[O:8])=[P:10](-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)(-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2)-[c:23]:3:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:3	1	3725
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5]):[c:6]>>[C:3]#[C:4]-[C:5].[c:1]:[c:2](:[c:6])-[Br:7]	3	3726,3727,3728
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5]):[c:6]>>[C:3]#[C:4]-[C:5].[c:1]:[c:2](:[c:6])-[I:7]	2	3729,3730
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[I:7].[C:3]#[C:4]-[C:5]	2	3731,3732
+[c:1]:[c:2](-[C:3]-[Cl:4]):[n:5]>>[Cl:4]-[S:6](=[O:7])-[Cl:8].[c:1]:[c:2](-[C:3]=[O:9]):[n:5]	1	3733
+[c:1]:[c:2](-[C:3]-[Cl:4]):[o:5]>>[Cl:4]-[S:6](=[O:7])-[Cl:8].[c:1]:[c:2](-[C:3](-[O:9])=[O:10]):[o:5]	1	3734
+[c:1]:[c:2](-[C:3]-[Cl:5]):[n:4]>>[c:1]:[c:2](-[C:3]-[O:9]-[C:10](-[C:11])=[O:12]):[n:4].[Cl:5]-[S:7](-[Cl:6])=[O:8]	1	3735
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[C:3](=[O:8])-[N:9](-[C:10])-[C:11].[c:1]:[c:2](:[c:7])-[Br:12]	1	3736
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[c:1]:[c:2]:[c:7].[C:3](=[O:8])-[N:9](-[C:10])-[C:11]	1	3737
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]>>[N:4](-[C:5])-[C:6].[c:1]:[c:2](-[C:3]-[O:8]):[n:7]	2	3738,3739
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[s:7]>>[N:4](-[C:5])-[C:6].[c:1]:[c:2](-[C:3]-[O:8]):[s:7]	2	3740,3741
+[c:1]:[c:2](-[C:3]-[N:4]):[c:5]>>[C:3]#[N:4].[c:1]:[c:2](:[c:5])-[Br:6]	1	3742
+[c:1]:[c:2](-[C:3]-[N:4]):[n:5]>>[N-:4]=[N+:7]=[N-:6].[c:1]:[c:2](-[C:3]-[Br:8]):[n:5]	1	3743
+[c:1]:[c:2](-[C:3]-[N:4]-[C:5]):[c:6]>>[N:4]-[C:5].[C:3](=[O:7])-[N:8](-[C:9])-[C:10].[c:1]:[c:2](:[c:6])-[Br:11]	1	3744
+[c:1]:[c:2](-[C:3]-[N:4]-[C:5]):[c:6]>>[N:4]-[C:5].[c:1]:[c:2](:[c:6])-[Br:8].[C:3](=[O:7])-[N:9](-[C:10])-[C:11]	1	3745
+[c:1]:[c:2](-[C:3]-[N:4]-[c:5]):[c:6]>>[C:3](=[O:7])-[N:8](-[C:9])-[C:10].[c:1]:[c:2](:[c:6])-[Br:11].[N:4]-[c:5]	1	3746
+[c:1]:[c:2](-[C:3]-[O:4]):[n:5]>>[O:4]=[Se:6]=[O:7].[c:1]:[c:2](-[C:3]):[n:5]	3	3747,3748,3749
+[c:1]:[c:2](-[C:3]-[O:4]-[C:5](-[C:6])=[O:7]):[n:8]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[n:8].[C:5](-[C:6])(=[O:7])-[Cl:12]	1	3750
+[c:1]:[c:2](-[C:3]-[O:4]-[C:5]):[c:6]>>[C:3]=[O:7].[O:4]-[C:5].[c:1]:[c:2]:[c:6]	2	3751,3752
+[c:1]:[c:2](-[C:3]-[O:5]):[c:4]>>[C:3](=[O:5])-[N:6](-[C:7])-[C:8].[c:1]:[c:2](:[c:4])-[Br:9]	1	3753
+[c:1]:[c:2](-[C:3]-[O:5]):[n:4]>>[O:5]=[Se:6]=[O:7].[c:1]:[c:2](-[C:3]):[n:4]	1	3754
+[c:1]:[c:2](-[C:3]-[S:4](=[O:5])-[c:6]:1:[n:7]:[c:8](:[c:9](:[c:10]):[n:12]:1):[c:11]):[n:13]>>[c:1]:[c:2](-[C:3]-[O:14]):[n:13].[O:5]-[O:15]-[C:16](=[O:17])-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22](-[Cl:23]):[c:24]:1.[S:4]=[C:6]-1-[N:7]-[c:8](:[c:9](:[c:10])-[N:12]-1):[c:11]	1	3755
+[c:1]:[c:2](-[C:3]-[S:4]-[c:5]:1:[n:6]:[c:7](:[c:8](:[c:9]):[n:11]:1):[c:10]):[n:12]>>[c:1]:[c:2](-[C:3]-[O:13]):[n:12].[S:4]=[C:5]-1-[N:6]-[c:7](:[c:8](:[c:9])-[N:11]-1):[c:10]	1	3756
+[c:1]:[c:2](-[C:3]-[S:4]-[c:5]:1:[n:6]:[c:7](:[c:8](:[c:9]):[n:11]:1):[c:10]):[n:12]>>[c:1]:[c:2](-[C:3]-[O:13]-[C:14](-[C:15])=[O:16]):[n:12].[S:4]=[C:5]-1-[N:6]-[c:7](:[c:8](:[c:9])-[N:11]-1):[c:10]	1	3757
+[c:1]:[c:2](-[C:3]-[c:4]):[c:5]>>[C:3](-[c:4])(=[O:6])-[Cl:7].[c:1]:[c:2]:[c:5]	1	3758
+[c:1]:[c:2](-[C:3]-[c:4]):[c:5]>>[C:3](-[c:4])(=[O:6])-[O:7].[c:1]:[c:2]:[c:5]	1	3759
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+[c:1]:[c:2](-[C:3]=[C:4]):[c:5]>>[C:3]=[C:4].[c:1]:[c:2](:[c:5])-[N:6]	1	3761
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+[c:1]:[c:2](-[C:3]=[C:4]-1-[C:5](=[O:6])-[N:7]-[c:8](:[c:9]):[c:11]-1:[c:10]):[n:12]>>[c:1]:[c:2](-[C:3]=[O:13]):[n:12].[O:6]-[C:14]-[C:15].[c:4]:1:[c:5]:[n:7]:[c:8](:[c:9]):[c:11]:1:[c:10]	1	3763
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+[c:1]:[c:2](-[C:3]=[C:4]-[c:5]):[c:6]>>[C:4](-[c:5])=[O:27].[C:3]-[P+:8](-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)(-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2)-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:3.[c:1]:[c:2](:[c:6])-[Br:7]	1	3765
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+[c:1]:[c:2](-[C:3]=[O:4]):[n:5]>>[c:1]:[c:2](-[C:3]-[O:4]-[C:6](-[C:7])=[O:8]):[n:5]	1	3771
+[c:1]:[c:2](-[C:3]=[O:5]):[n:4]>>[c:1]:[c:2](-[C:3](=[O:5])-[O:6]-[C:7]):[n:4]	2	3772,3773
+[c:1]:[c:2](-[C:3]=[O:5]):[n:4]>>[c:1]:[c:2](-[C:3](=[O:5])-[O:6]-[C:7]-[C:8]):[n:4]	1	3774
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+[c:1]:[c:2](-[Cl:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N+:5](-[O-:6])=[O:7].[Cl:3]	2	3776,3777
+[c:1]:[c:2](-[Cl:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N+:5](=[O:6])-[O-:7].[Cl:3]	1	3778
+[c:1]:[c:2](-[Cl:3]):[c:4]>>[c:1]:[c:2]:[c:4].[Cl:3]	1	3779
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+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[n:6]:[n:7]>>[N:3](-[C:4])(-[C:5])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[c:1]:[c:2](:[n:6]:[n:7])-[Cl:8]	1	3794
+[c:1]:[c:2](-[N:3](-[C:4])-[S:5](=[O:6])(=[O:7])-[c:8]):[c:9]>>[N:3]-[C:4].[c:1]:[c:2](:[c:9])-[Cl:10].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:11]	1	3795
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+[c:1]:[c:2](-[N:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[Br:12].[N:3]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1	1	3808
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+[c:1]:[c:2](-[N:3]):[c:4]>>[c:1]:[c:2]:[c:4].[N+:3](-[O:5])(-[O-:6])=[O:7]	4	3810,3811,3812,3813
+[c:1]:[c:2](-[N:3]):[c:4]>>[c:1]:[c:2]:[c:4].[N+:3](=[O:5])(-[O-:6])-[C:7]	1	3814
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+[c:1]:[c:2](-[N:3]-[C:4](-[C:5])=[O:6]):[c:7]>>[C:4](-[C:5])(=[O:6])-[O:8]-[C:9](-[C:10])=[O:11].[c:1]:[c:2]:[c:7].[N+:3](=[O:12])(-[O-:13])-[O:14]	1	3821
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+[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[N:6]-[c:7]):[c:8]>>[N:6]-[c:7].[S:3](=[O:4])(=[O:5])(-[Cl:9])-[O:10].[c:1]:[c:2]:[c:8]	1	3878
+[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[N:6]-[c:7]):[c:8]>>[S:3](=[O:4])(=[O:5])(-[Cl:9])-[O:10].[N:6]-[c:7].[c:1]:[c:2]:[c:8]	1	3879
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[n:7]>>[c:1]:[c:2](:[c:6]:[n:7])-[Br:8].[c:3](:[c:4])(:[c:5])-[Br:9]	5	3880,3881,3882,3883,3884
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[n:7]>>[c:1]:[c:2](:[c:6]:[n:7])-[Br:8].[c:3](:[c:4]):[c:5]	1	3885
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[c:3](:[c:4])(:[c:5])-[Br:8]	3	3886,3887,3888
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[c:3](:[c:4])(:[c:5])-[I:8]	1	3889
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[c:3](:[c:4])(:[c:5])-[O:8]-[S:9](=[O:10])(=[O:11])-[C:12](-[F:13])(-[F:14])-[F:15]	1	3890
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:8].[c:3](:[c:4])(:[c:5])-[Br:7]	2	3891,3892
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[N:7].[c:3](:[c:4])(:[c:5])-[B:8](-[O:9])-[O:10]	1	3893
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2]:[c:6].[c:3](:[c:4])(:[c:5])-[B:7](-[O:8])-[O:9]	5	3894,3895,3896,3897,3898
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2]:[c:6].[c:3](:[c:4])(:[c:5])-[B:8](-[O:7])-[O:9]	1	3899
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[Br:7].[c:1]:[c:2](:[c:6])-[Br:8]	4	3900,3901,3902,3903
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[Br:8].[c:1]:[c:2](:[c:6])-[Br:7]	1	3904
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[N:7].[c:1]:[c:2](:[c:6])-[B:8](-[O:9])-[O:10]	1	3905
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[n:6]:[c:7]:[c:8]>>[c:3](:[c:4])(:[c:5])-[Br:9].[c:1]:[c:2](:[n:6]:[c:7]:[c:8])-[Cl:10]	1	3906
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[n:6]:[n:7]>>[c:3](:[c:4])(:[c:5])-[Br:8].[c:1]:[c:2](:[n:6]:[n:7])-[Cl:9]	1	3907
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[c:5]:[n:7]):[c:8]>>[c:3](:[c:4])(:[c:6]:[c:5]:[n:7])-[Br:9].[c:1]:[c:2](:[c:8])-[Br:10]	1	3908
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:1]:[c:2](:[c:7])-[O:8].[c:3](:[c:4])(:[c:6]:[n:5])-[B:9](-[O:10])-[O:11]	1	3909
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:8].[c:1]:[c:2](:[c:7])-[Br:9]	3	3910,3911,3912
+[c:1]:[c:2](-[c:3](:[c:4]):[n+:7](:[c:6]:[c:5])-[O-:8]):[c:9]>>[c:1]:[c:2](:[c:9])-[B:10](-[O:11])-[O:12].[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:13].[O:8]-[O:14]-[C:15](=[O:16])-[c:17]:1:[c:18]:[c:19]:[c:20]:[c:21](-[Cl:22]):[c:23]:1	1	3913
+[c:1]:[c:2](-[c:3](:[c:4]):[n:6]:[n:5]):[c:7]>>[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:9].[c:1]:[c:2](:[c:7])-[Br:8]	1	3914
+[c:1]:[c:2](-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]):[c:8]>>[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:10].[c:1]:[c:2](:[c:8])-[Br:9]	1	3915
+[c:1]:[c:2](-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]):[c:8]>>[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:17].[c:1]:[c:2](:[c:8])-[O:9]-[S:10](-[C:11](-[F:12])(-[F:13])-[F:14])(=[O:15])=[O:16]	1	3916
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:9].[c:3](:[c:4]:[n:5])(:[c:6])-[Br:8]	1	3917
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:6]):[c:7]>>[c:3](:[c:4]:[n:5])(:[c:6])-[Br:8].[c:1]:[c:2](:[c:7])-[Br:9]	3	3918,3919,3920
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:10].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:9]	3	3921,3922,3923
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:10]	1	3924
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:9].[c:1]:[c:2](:[c:8])-[Br:10]	1	3925
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:10].[c:1]:[c:2](:[c:8])-[Br:9]	1	3926
+[c:1]:[c:2](-[c:3]:1:[c:4](-[C:5]):[s:6]:[c:7](-[N:8]):[n:9]:1):[c:10]>>[C:3](-[C:4]-[C:5])(=[O:11])-[Cl:12].[S:6]=[C:7](-[N:8])-[N:9].[c:1]:[c:2]:[c:10]	1	3927
+[c:1]:[c:2](-[c:3]:1:[c:4](-[C:5]):[s:6]:[c:7](-[N:8]-[C:9](=[O:10])-[c:11]):[n:12]:1):[c:13]>>[C:3](-[C:4]-[C:5])(=[O:14])-[Cl:15].[S:6]=[C:7](-[N:8])-[N:12].[C:9](=[O:10])(-[c:11])-[Cl:16].[c:1]:[c:2]:[c:13]	1	3928
+[c:1]:[c:2](-[c:3]:1:[c:4](-[c:5]):[n:6]:[c:7](-[C:8]):[s:9]:1):[n:10]>>[N:6]-[C:7](-[C:8])=[S:9].[c:1]:[c:2](-[C:3]):[n:10].[C:4](-[c:5])(=[O:11])-[O:12]-[C:13]	1	3929
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]:[n:10]>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Sn:11](-[C:12]-[C:13]-[C:14]-[C:15])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23].[c:1]:[c:2]:[c:9]:[n:10]	1	3930
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5](-[C:6]):[n:7]:[n:8]:1):[n:9]>>[c:1]:[c:2](-[C:3]#[C:4]-[Si:10](-[C:11])(-[C:12])-[C:13]):[n:9].[N:5](-[C:6])=[N+:7]=[N-:8]	1	3931
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1):[c:9]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1)-[Br:10].[c:1]:[c:2](:[c:9])-[Br:11]	1	3932
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[B:9]-1-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14](-[O:15]-1)(-[C:16])-[C:17].[c:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1	1	3933
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[O:10]-[S:11](=[O:12])(=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:1)-[Br:9]	1	3934
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1):[c:8]>>[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:1)-[I:9].[c:1]:[c:2](:[c:8])-[Br:10]	1	3935
+[c:1]:[c:2](-[c:3]:1:[c:4]:[s:5]:[c:6]:[c:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:10].[c:3]:1(:[c:4]:[s:5]:[c:6]:[c:7]:1)-[Br:9]	1	3936
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](-[N:6]):[n:7]:[c:8]:[c:9]:1):[s:10]>>[c:1]:[c:2](-[C:3](-[C:9])=[O:14]):[s:10].[N:4]=[C:5](-[N:6])-[N:7].[C:8](-[N:12](-[C:11])-[C:13])(-[O:15]-[C:16])-[O:17]-[C:18]	1	3937
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]):[n:10]>>[c:1]:[c:2](-[C:3](=[O:11])-[O:12]-[C:13]-[C:14]):[n:10].[N:4]-[c:5](:[c:6](:[c:7])-[N:9]):[c:8]	1	3938
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[c:8]:[n:9]:1):[c:10]:[n:11]>>[c:1]:[c:2](:[c:10]:[n:11])-[Br:12].[c:3]:1(:[n:4]:[c:5](:[c:6]):[c:7]:[c:8]:[n:9]:1)-[Cl:13]	1	3939
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:[c:9]:1):[c:10]>>[c:3]:1(:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:[c:9]:1)-[O:14].[c:1]:[c:2](:[c:10])-[B:11](-[O:12])-[O:13]	1	3940
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Br:11].[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1)-[Br:10]	1	3941
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Br:10].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	3	3942,3943,3944
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[I:10].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	1	3945
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5](-[C:6]):[c:7]:2:[c:8]:1:[c:9]:[n:10]:[c:11]:[c:12]:2):[c:13]>>[C:3]-1(-[N:4]-[N:5](-[C:6])-[c:7]:2:[c:8]-1:[c:9]:[n:10]:[c:11]:[c:12]:2)=[O:23].[c:1]:[c:2](:[c:13])-[B:14]-1-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19](-[O:20]-1)(-[C:21])-[C:22]	1	3946
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[s:7]:1):[c:8]>>[c:3]:1(:[n:4]:[n:5]:[c:6]:[s:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[Br:10]	1	3947
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4](-[B:5](-[O:6])-[O:10]-[C:11](-[C:12])-[C:13])-[C:7](-[C:8])-[C:9].[c:1]:[c:2](:[c:3])-[Br:14]	1	3948
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4](-[B:5](-[O:6])-[O:8]-[C:9])-[C:7].[c:1]:[c:2](:[c:3])-[Br:10]	1	3949
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-1-[B:5](-[O:6]-[C:8]-[C:9](-[C:10]-1)(-[C:11])-[C:12])-[B:13]-2-[O:14]-[C:15]-[C:16](-[C:17])(-[C:18])-[C:19]-[O:20]-2.[c:1]:[c:2](:[c:3])-[Br:7]	1	3950
+[c:1]:[c:2](:[c:3])-[Br:4]>>[Br:4].[c:1]:[c:2](:[c:3])-[N+:5](=[O:6])-[O-:7]	2	3951,3952
+[c:1]:[c:2](:[c:3])-[C:5](-[N:4])-[c:6]>>[c:1]:[c:2]:[c:3].[N:4]-[C:5](-[c:6])=[O:7]	1	3953
+[c:1]:[c:2](:[c:3])-[C:6](-[N:5]-[C:4])-[c:7]>>[c:1]:[c:2]:[c:3].[C:4]-[N:5].[C:6](-[c:7])(=[O:8])-[Cl:9]	1	3954
+[c:1]:[c:2](:[c:3])-[C:6](=[N:5]-[C:4])-[c:7]>>[c:1]:[c:2]:[c:3].[C:4]-[N:5].[C:6](-[c:7])(=[O:8])-[Cl:9]	1	3955
+[c:1]:[c:2](:[c:3])-[C:6]-[C:5]=[C:4]>>[C:4]=[C:5]-[C:6]-[Br:7].[c:1]:[c:2]:[c:3]	1	3956
+[c:1]:[c:2](:[c:3])-[I:4]>>[c:1]:[c:2](:[c:3])-[N+:5](=[O:6])-[O-:7].[I:4]	2	3957,3958
+[c:1]:[c:2](:[c:3])-[N:4]>>[N+:4](-[O-:5])(=[O:6])-[O:7].[c:1]:[c:2]:[c:3]	2	3959,3960
+[c:1]:[c:2](:[c:3])-[N:4]>>[N+:4](=[O:5])(-[O-:6])-[O:7].[c:1]:[c:2]:[c:3]	2	3961,3962
+[c:1]:[c:2](:[c:3])-[N:4]>>[c:1]:[c:2]:[c:3].[N+:4](-[O-:5])(=[O:6])-[O:7]	1	3963
+[c:1]:[c:2](:[c:3])-[N:4]>>[c:1]:[c:2]:[c:3].[N+:4](-[O:5])(-[O-:6])=[O:7]	1	3964
+[c:1]:[c:2](:[n:3]:[c:4](-[Cl:5]):[c:6]):[c:7]>>[Cl:5]-[P:8](=[O:9])(-[Cl:10])-[Cl:11].[c:1]:[c:2](:[n+:3](:[c:4]:[c:6])-[O-:12]):[c:7]	1	3965
+[c:1]:[c:2](:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[c:8]):[c:9]>>[N:5](-[C:6])-[C:7].[c:1]:[c:2](:[n:3]:[c:4](:[c:8])-[O:10]):[c:9]	1	3966
+[c:1]:[c:2](:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]):[c:9]>>[c:1]:[c:2](:[n:3]:[c:4](:[c:8])-[Cl:10]):[c:9].[c:5](:[c:6])(:[c:7])-[Br:11]	1	3967
+[c:1]:[c:2](:[n:3]:[c:4](:[c:5])-[Cl:7]):[c:6]>>[Cl:7]-[P:9](-[Cl:10])(-[Cl:11])=[O:12].[c:1]:[c:2](:[n+:3](:[c:4]:[c:5])-[O-:8]):[c:6]	2	3968,3969
+[c:1]:[c:2](:[n:3]:[c:4](:[c:5])-[O:7]):[c:6]>>[O:7]=[C:9](-[C:10])-[O:11]-[C:12](-[C:13])=[O:14].[c:1]:[c:2](:[n+:3](:[c:4]:[c:5])-[O-:8]):[c:6]	1	3970
+[c:1]:[c:2]-1:[c:3]-[N:4]-[C:5](=[O:6])-[C:7]-[C:8]-1(-[C:9])-[C:10]>>[C:5](=[O:6])(-[C:7]=[C:8](-[C:9])-[C:10])-[Cl:11].[c:1]:[c:2]:[c:3]-[N:4]	1	3971
+[c:1]:[c:2]:1-[C:3](-[O:4])=[C:5](-[C:6](=[O:7])-[N:8]-[C:9]-[C:10](=[O:11])-[O:12])-[C:13](=[O:14])-[C:15]-[c:16]:1>>[c:1]:[c:2]:[c:16]-[C:15]-[C:13](-[C:5](-[C:3](=[O:4])-[O:20]-[C:21]-[C:22])-[C:6](=[O:7])-[O:19]-[C:18]-[C:17])=[O:14].[N:8]-[C:9]-[C:10](=[O:11])-[O:12]	1	3972
+[c:1]:[c:2]:1-[C:3](=[O:5])-[C:8](=[O:4])-[N:7]-[c:6]:1>>[C:3](-[O:4])(-[C:8](-[Cl:10])(-[Cl:11])-[Cl:12])-[O:13].[c:1]:[c:2]:[c:6]-[N:7].[O:5]-[N:9]	1	3973
+[c:1]:[c:2]:1:[c:3](-[O:4]):[n:5]:[c:6](-[c:7]):[n:8]:[c:9]:1:[c:10]>>[C:6](-[c:7])-[O:11].[c:1]:[c:2](-[C:3](=[O:4])-[N:5]):[c:9](-[N:8]):[c:10]	1	3974
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[Cl:6]):[n:7]:[n:8]:[c:9]:1-[C:10]>>[Cl:6]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[N:7]-[N:8].[c:1]:[c:2](:[c:3](:[c:4])-[C:5](=[O:15])-[O:16])-[C:9](-[C:10])=[O:17]	1	3975
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[N:6]-[C:7]):[n:8]:[n:9]:[c:10]:1-[c:11]>>[N:6]-[C:7].[N:8]-[N:9].[c:1]:[c:2](:[c:3](:[c:4])-[C:5](=[O:12])-[O:13])-[C:10](-[c:11])=[O:14]	1	3976
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[O:6]):[n:7]:[n:8]:[c:9]:1-[c:10]>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5](=[O:6])-[O:12])-[Br:13].[N:7]-[N:8].[C:9](-[c:10])(=[O:11])-[N:14](-[O:15]-[C:16])-[C:17]	1	3977
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](:[n:6]:[n:7]:[c:8]:1-[c:9])-[Cl:10]>>[Cl:10]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[N:6]-[N:7].[c:1]:[c:2](:[c:3](:[c:4])-[C:5](=[O:15])-[O:16])-[C:8](-[c:9])=[O:17]	1	3978
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5]:[n:6]:[n:7]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5])-[N+:7](=[O:8])-[O-:9].[N:6](=[O:10])-[O:11]	1	3979
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]):[n:13]:[c:14]:1-[N:15]>>[C:6](=[O:7])(-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])-[O:17]-[C:18](-[O:19]-[C:20](-[C:21])(-[C:22])-[C:23])=[O:24].[c:1]:[c:2](:[c:3](:[c:4])-[F:16])-[C:14]#[N:15].[N:5]-[N:13]	1	3980
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6]):[c:7](-[C:8]):[n:9]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5]-[C:6])-[N+:9](=[O:10])-[O-:11].[C:7](-[C:8])(=[O:12])-[Cl:13]	1	3981
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6]):[c:7](-[c:8]):[n:9]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5]-[C:6])-[N+:9](=[O:10])-[O-:11].[C:7](-[c:8])=[O:12]	1	3982
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[C:7]):[n:8]:1-[C:9]-[C:10]>>[C:9](-[C:10])=[O:12].[c:1]:[c:2](:[c:3](:[c:4])-[N:5]-[C:6](-[C:7])=[O:11])-[N:8]	1	3983
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[S:7]-[C:8]-[c:9](:[n:10]):[c:11]):[n:12]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N:12].[C:8](-[c:9](:[n:10]):[c:11])-[Cl:14].[C:6](=[S:7])=[S:13]	1	3984
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[c:7]:[c:9]:[n:8]):[n:10]:1-[C:11]>>[c:1]:[c:2](:[c:3](:[c:4])-[N+:5](=[O:12])-[O-:13])-[N:10]-[C:11].[C:6](-[c:7]:[c:9]:[n:8])=[O:14]	1	3985
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[c:7]:[c:9]:[n:8]):[o:10]:1>>[C:6](-[c:7]:[c:9]:[n:8])(=[O:11])-[O:12].[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[O:10]	1	3986
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[n:7]:[c:8]:1-[Cl:9]>>[c:1]:[c:2]-1:[c:3](:[c:4])-[N:5]=[C:6]-[N:7](-[C:8]-1=[O:14])-[C:15]-[O:16]-[C:17](-[C:18](-[C:19])(-[C:20])-[C:21])=[O:22].[Cl:9]-[P:11](-[Cl:10])(=[O:12])-[Cl:13]	1	3987
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[n:7]:[c:8]:1-[N:9]-[c:10](:[c:11]):[n:12]>>[c:1]:[c:2]-1:[c:3](:[c:4])-[N:5]=[C:6]-[N:7](-[C:8]-1=[O:13])-[C:14]-[O:15]-[C:16](-[C:17](-[C:18])(-[C:19])-[C:20])=[O:21].[N:9]-[c:10](:[c:11]):[n:12]	1	3988
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[C:7](=[O:8])-[O:10]):[c:9]:1>>[C:6](-[C:7](=[O:8])-[O:10])-[Br:12].[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[C:9]=[O:11]	1	3989
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[C:7]):[n:8]:1>>[O:5]=[C:6](-[C:7])-[O:10].[c:1]:[c:2](:[c:3](:[c:4])-[O:9])-[N:8]	1	3990
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[c:7]):[n:8]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[N:8].[C:6](-[c:7])(=[O:9])-[O:10]	1	3991
+[c:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:1-[C:8]-[c:9]>>[c:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:1-[S:10](=[O:11])(=[O:12])-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2.[C:8](-[c:9])-[Br:19]	1	3992
+[c:1]:[c:2]:1:[c:3](:[s:4]:[c:5](-[c:6]):[n:7]:1):[c:8]>>[C:5](-[c:6])(=[O:30])-[Cl:31].[c:1]:[c:2](:[c:3]:[c:8])-[N:7].[S:4]=[P:10]-1(-[S:11]-[P:12](-[c:13]:2:[c:14]:[c:15]:[c:16](-[O:17]-[C:18]):[c:19]:[c:20]:2)(=[S:21])-[S:22]-1)-[c:23]:3:[c:9]:[c:29]:[c:26](:[c:25]:[c:24]:3)-[O:27]-[C:28]	1	3993
+[c:1]:[c:2]:1:[c:3](:[s:4]:[c:5](-[c:6]):[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:3]:[c:8])-[N:7]-[C:5](-[c:6])=[O:9].[S:4]=[P:10]-1(-[S:11]-[P:12](-[c:13]:2:[c:14]:[c:15]:[c:16](-[O:17]-[C:18]):[c:19]:[c:20]:2)(=[S:21])-[S:22]-1)-[c:23]:3:[c:24]:[c:25]:[c:26](-[O:27]-[C:28]):[c:29]:[c:30]:3	1	3994
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[s:6]:1>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5](:[s:6]:1)-[C:8](=[O:7])-[O:9]-[C:10]	1	3995
+[c:1]:[c:2]:1:[n:3]:[c:4](-[Cl:5]):[c:6]:[c:7]:[c:8]:1:[c:9]>>[Cl:5]-[P:10](=[O:11])(-[Cl:12])-[Cl:13].[c:1]:[c:2]:1-[N+:3](-[C:4](-[C:6]=[C:7]-[c:8]:1:[c:9])=[O:14])-[O-:15]	1	3996
+[c:1]:[c:2]:1:[n:3]:[c:4](-[Cl:5]):[n:6]:[c:7](-[c:8]):[c:9]:1:[c:10]>>[Cl:5]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[C:4](=[O:15])(-[C:17](-[Cl:18])(-[Cl:19])-[Cl:20])-[Cl:21].[N:6].[c:1]:[c:2](-[N:3]):[c:9](-[C:7](-[c:8])=[O:16]):[c:10]	1	3997
+[c:1]:[c:2]:1:[n:3]:[c:4](-[Cl:5]):[n:6]:[c:7](-[c:8]):[c:9]:1:[c:10]>>[Cl:5]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[c:1]:[c:2](-[N:3]-[C:4](=[O:15])-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19]):[c:9](-[C:7](-[c:8])=[O:20]):[c:10].[N:6]	1	3998
+[c:1]:[c:2]:1:[n:3]:[c:4](-[O:5]-[C:6]):[n:7]:[c:8]:1>>[c:1]:[c:2]:1:[n:3]:[c:4]:[n:7]:[c:8]:1.[O:5]-[C:6]	2	3999,4000
+[c:1]:[c:2]:1:[n:3]:[c:4](-[c:5](:[n:6]):[c:7]):[n:8]:[c:9]:1:[c:10]>>[c:1]:[c:2](-[N:3]):[c:9](-[N:8]):[c:10].[C:4](-[c:5](:[n:6]):[c:7])-[O:11]	1	4001
+[c:1]:[c:2]:1:[n:3]:[c:4](:[n:5]:[c:6](-[c:7]):[c:8]:1:[c:9])-[O:10]>>[C:4](=[O:10])(-[C:12](-[Cl:13])(-[Cl:14])-[Cl:15])-[Cl:16].[N:5].[c:1]:[c:2](-[N:3]):[c:8](-[C:6](-[c:7])=[O:11]):[c:9]	1	4002
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1:[c:7]>>[c:1]:[c:2]:1-[N:3](-[C:4]-[C:5]-[c:6]:1:[c:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	4003
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1:[c:7]>>[N:4](-[O:11]-[C:12]-[C:13]-[C:14](-[C:15])-[C:16])=[O:17].[c:1]:[c:2](-[N:3]-[C:9](-[C:8])=[O:10]):[c:6](-[C:5]):[c:7]	1	4004
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[N+:4](=[O:5])-[O-:6]	1	4005
+[c:1]:[c:2]:[n:3]:1:[c:4](:[n:5]:[n:6]:[c:7]:1-[C:8]):[c:9]>>[C:7](-[C:8])(=[O:10])-[Cl:11].[c:1]:[c:2]:[n:3]:[c:4](-[N:5]-[N:6]):[c:9]	1	4006
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]#[N:6]):[c:7]>>[C-:5](#[N:6])~[Cu+:9].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[O:8]	1	4007
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[C:8]-[O:10]):[c:9]>>[C:5](-[F:6])(-[F:7])(-[C:8](=[O:10])-[O:13]-[C:12]-[C:11])-[Br:14].[c:1]:[c:2]:[n:3]:[c:4](:[c:9])-[Br:15]	1	4008
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]-[C:6]-[C:7]):[c:8]>>[C:5]#[C:6]-[C:7].[c:1]:[c:2]:[n:3]:[c:4](:[c:8])-[Br:9]	1	4009
+[c:1]:[c:2]:[n:3]:[c:4](-[F:5]):[c:6]>>[F:5].[c:1]:[c:2]:[n:3]:[c:4](:[c:6])-[O:7]	1	4010
+[c:1]:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[c:8]>>[N:5](-[C:6])(-[C:7])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:1]:[c:2]:[n:3]:[c:4](:[c:8])-[Cl:9]	1	4011
+[c:1]:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[c:8]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:8])-[O:9].[N:5](-[C:6])-[C:7]	1	4012
+[c:1]:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[O:8]	1	4013
+[c:1]:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]):[c:7]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[O:8].[N:5]-[C:6]	1	4014
+[c:1]:[c:2]:[n:3]:[c:4](-[O:5]-[C:6]):[c:7]>>[O:5]-[C:6].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[O:8]	1	4015
+[c:1]:[c:2]:[n:3]:[c:4](-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1):[c:10]>>[c:5]:1(:[c:6]:[n:7]:[n:8]:[c:9]:1)-[B:11]-2-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16](-[O:17]-2)(-[C:18])-[C:19].[c:1]:[c:2]:[n:3]:[c:4](:[c:10])-[O:20]	1	4016
+[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[Cl:6]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[O:11]-[C:12].[Cl:6]-[P:7](=[O:8])(-[Cl:9])-[Cl:10]	1	4017
+[c:1]:[c:3](-[N:2]):[c:4]>>[N+:2](=[O:5])(-[O-:6])-[O:7].[c:1]:[c:3]:[c:4]	1	4018
+[c:1]:[c:3](:[c:2])-[C:4](-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])=[O:7].[c:1]:[c:3](:[c:2])-[Br:8]	1	4019
+[c:1]:[c:3](:[c:2])-[C:4](=[C:5]-[C:6])-[C:7]>>[C:4](-[C:5]-[C:6])(-[C:7])=[O:8].[c:1]:[c:3](:[c:2])-[Br:9]	1	4020
+[c:1]:[c:3](:[c:2])-[C:4](=[O:5])-[Cl:6]>>[Cl:6]-[C:7](-[C:8](=[O:9])-[Cl:10])=[O:11].[C:4](=[O:5])=[O:12].[c:1]:[c:3](:[c:2])-[Br:13]	1	4021
+[c:1]:[c:3](:[c:2])-[C:4](=[O:5])-[Cl:6]>>[Cl:6]-[C:7](-[C:8](=[O:9])-[Cl:10])=[O:11].[c:1]:[c:3](:[c:2])-[Br:13].[C:4](=[O:5])=[O:12]	1	4022
+[c:1]:[c:3](:[c:2])-[C:4]-[C:5]#[N:6]>>[C:4]=[O:7].[c:1]:[c:3]:[c:2].[C:5]#[N:6]	2	4023,4024
+[c:1]:[c:3](:[c:2])-[C:4]-[O:5]>>[C:4](=[O:5])-[N:6](-[C:7])-[C:8].[c:1]:[c:3]:[c:2]	1	4025
+[c:1]:[c:3](:[c:2])-[N:4]>>[N+:4](=[O:5])(-[O-:6])-[O:7].[c:1]:[c:3]:[c:2]	2	4026,4027
+[c:1]:[c:3](:[c:2])-[O:4]-[C:5]-[C:6]>>[O:4](-[C:5](-[C:6])=[O:10])-[C:9]-[C:8].[c:1]:[c:3](:[c:2])-[O:7]	1	4028
+[c:1]:[c:3](:[c:2])-[O:4]-[C:5]>>[O:4](-[C:5])-[C:7]-[C:8].[c:1]:[c:3](:[c:2])-[O:6]	1	4029
+[c:1]:[c:3](:[c:2])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[B:7](-[O:8])-[O:9].[c:1]:[c:3]:[c:2]	1	4030
+[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[N:6]-[C:7]-1=[C:8](-[C:9])-[N:10]-[N:11]-[C:12]-1=[O:13]>>[N+:6](-[C:7]-1=[C:8](-[C:9])-[N:10]-[N:11]-[C:12]-1=[O:13])(=[O:15])-[O-:16].[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[O:14]	1	4031
+[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[N:6]-[C:7]-1=[C:8](-[C:9])-[N:10]-[N:11]-[C:12]-1=[O:13]>>[N:6]-[C:7]-1=[C:8](-[C:9])-[N:10]-[N:11]-[C:12]-1=[O:13].[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[O:14]-[C:15]-[C:16]	1	4032
+[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[N:6]-[C:7]>>[N:6](-[C:7])=[N+:9]=[N-:10].[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[O:8]	1	4033
+[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[N:6]-[c:7]>>[N+:6](-[c:7])(=[O:9])-[O-:10].[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[O:8]	1	4034
+[c:1]:[c:3]:1:[c:2]:[c:6]:[c:5]:[s:4]:1>>[c:1]:[c:3]:1:[c:2]:[c:6]:[c:5](:[s:4]:1)-[C:8](=[O:7])-[O:9]-[C:10]	1	4035
+[c:1]:[c:4](-[C:3]-[C:2]):[c:5]>>[c:1]:[c:4]:[c:5].[C:2]-[C:3](=[O:6])-[O:7]	2	4036,4037
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]):[c:7]>>[c:1]:[c:4](:[c:3]:[n:2])-[Br:8].[c:5](:[c:6])(:[c:7])-[Br:9]	1	4038
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]):[c:7]>>[c:1]:[c:4](:[c:3]:[n:2])-[Br:9].[c:5](:[c:6])(:[c:7])-[Br:8]	1	4039
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]):[c:7]>>[c:1]:[c:4]:[c:3]:[n:2].[c:5](:[c:6])(:[c:7])-[B:8](-[O:9])-[O:10]	1	4040
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]):[c:7]>>[c:5](:[c:6])(:[c:7])-[B:8](-[O:9])-[O:10].[c:1]:[c:4]:[c:3]:[n:2]	1	4041
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:10]:[c:7](:[n:5]:1-[C:6])-[O:8]-[c:9]>>[O:8]-[c:9].[c:1]:[c:4]-1:[c:3](:[c:2])-[N:10]-[C:7](-[N:5]-1-[C:6])=[O:11]	1	4042
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:11]:[c:6](:[s:5]:1)-[N:7]-[C:8](=[O:9])-[C:10]>>[C:8](=[O:9])(-[C:10])-[Cl:12].[c:1]:[c:4]:[c:3](:[c:2])-[N:11].[S:5]-[C:6]#[N:7]	1	4043
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:11]:[c:6](:[s:5]:1)-[N:7]-[C:8](=[O:9])-[C:10]>>[C:8](=[O:9])(-[C:10])-[Cl:14].[c:1]:[c:4]:[c:3](:[c:2])-[N+:11](=[O:12])-[O-:13].[S:5]-[C:6]#[N:7]	1	4044
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:12]:[c:11](:[n:5]:1-[C:6])-[N:7]-[c:8]:[c:10]:[n:9]>>[c:1]:[c:4]-1:[c:3](:[c:2])-[N:12]-[C:11](-[N:5]-1-[C:6])=[O:13].[N:7]-[c:8]:[c:10]:[n:9]	1	4045
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:13]:[c:6](:[n:5]:1)-[c:7]:2:[n:8]:[n:9]:[c:10](:[c:11]):[c:12]:2>>[c:1]:[c:4](:[c:3](:[c:2])-[N:13])-[N:5].[N:8](=[O:14])-[O:15].[c:6]:1:[c:7]:[c:12]:[c:10](:[n:9]:1):[c:11]	1	4046
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:8]:[c:6](:[s:5]:1)-[N:7]>>[c:1]:[c:4]:[c:3](:[c:2])-[N+:8](=[O:9])-[O-:10].[S:5]-[C:6]#[N:7]	1	4047
+[c:1]:[c:4]:1:[c:3](:[c:2]):[s:13]:[c:6](:[n:5]:1)-[N:7]-[C:8](=[O:9])-[N:10](-[C:11])-[C:12]>>[c:1]:[c:4](:[c:3]:[c:2])-[N:5]-[C:6](-[N:7])=[S:13].[N:10](-[C:11])-[C:12].[C:8](=[O:9])(-[Cl:14])-[O:15]-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1	1	4048
+[c:1]:[c:4]:1:[c:3](:[c:2]):[s:7]:[c:6](:[c:5]:1)-[C:9](=[O:8])-[O:10]>>[C:5](=[O:11])-[N:13](-[C:14])-[C:15].[C:6](-[S:7])-[C:9](=[O:8])-[O:10].[c:1]:[c:4]:[c:3](:[c:2])-[F:12]	1	4049
+[c:1]:[c:4]:1:[c:3](:[c:2]):[s:8]:[c:6](:[n:5]:1)-[N:7]>>[c:1]:[c:4](:[c:3]:[c:2])-[N:5]-[C:6](-[N:7]-[C:9](=[O:10])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)=[S:8]	1	4050
+[c:1]:[c:5](-[C:3](-[C:2])-[O:4]):[c:6]>>[c:1]:[c:5]:[c:6].[C:2]-[C:3](=[O:4])-[O:7]	1	4051
+[c:1]:[c:5](:[c:4](:[c:2]):[n:3])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[c:1]:[c:5](:[c:4](:[c:2]):[n:3])-[O:9]	1	4052
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[C:6]#[N:7]>>[C-:6](#[N:7])~[Cu+:8].[c:1]:[c:5]:[n:4]:[c:3]:[c:2]	1	4053
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:9]	1	4054
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]-[c:7]:[c:8]:[n:9]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[F:10].[N:6](-[c:7]:[c:8]:[n:9])=[C:11](-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)-[c:18]:2:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:2	1	4055
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]>>[N:6].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:7]	1	4056
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[C:7]#[N:6]	1	4057
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]-[C:7]>>[O:6]-[C:7].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:8]	1	4058
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]-[c:7]>>[O:6](-[c:7])-[C:9].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Cl:8]	1	4059
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]>>[O:6]=[C:7](-[O:8]-[C:9](-[C:10])=[O:11])-[C:12].[c:1]:[c:5]:[n:4]:[c:3]:[c:2]	1	4060
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]>>[O:6]=[C:8](-[O:9]-[C:10](-[C:11])=[O:12])-[C:13].[c:1]:[c:5]:[n+:4](:[c:3]:[c:2])-[O-:7]	1	4061
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[c:6](:[c:7]):[c:8]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Br:9].[c:6](:[c:7])(:[c:8])-[O:10]-[S:11](=[O:12])(=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17]	1	4062
+[c:1]:[c:7]:[n:6]:[c:3](:[c:2])-[O:4]-[c:5]>>[O:4](-[c:5])-[C:10]-[O:11]-[C:8].[c:1]:[c:7]:[n:6]:[c:3](:[c:2])-[Cl:9]	1	4063
+[c:1]:[c:7]:[n:6]:[c:3](:[c:2])-[O:4]-[c:5]>>[O:4](-[c:5])-[C:9].[c:1]:[c:7]:[n:6]:[c:3](:[c:2])-[Cl:8]	1	4064
+[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5]:[n:6]:[c:7]:1>>[C:5](=[O:9])-[O:10].[c:1]:[c:8](:[n:4]:[c:3]:[c:2])-[C:7]-[N:6]	1	4065
+[c:1]:[n:7]:[c:4](:[n:3]:[c:2])-[N:5]-[c:6]>>[N+:5](-[c:6])(-[O-:8])=[O:10].[c:1]:[n:7]:[c:4](:[n:3]:[c:2])-[Cl:9]	1	4066
+[c:1]:[n:7]:[c:4](:[n:3]:[c:2])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:9])-[O-:10].[c:1]:[n:7]:[c:4](:[n:3]:[c:2])-[Cl:8]	1	4067
+[n:1](:[n:2]):[c:4](:[c:3])-[N:5]>>[n:1](:[n:2]):[c:4](:[c:3])-[O:6].[N:5]	1	4068
+[n:1]:1:[c:2](-[C:3]):[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:2](-[C:3])(=[O:9])-[O:10].[N:1]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7]	2	4069,4070
+[n:1]:1:[c:2](-[C:3]):[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[N:1]-[c:6](:[c:5](-[N+:4](=[O:9])-[O-:10]):[c:8]):[c:7].[C:2](-[C:3])(=[O:11])-[O:12]	1	4071
+[n:1]:1:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]:[c:8](:[c:9]):[c:10]:1>>[n:1]:1:[c:2]:[n:7]:[c:8](:[c:9]):[c:10]:1.[N:4](-[C:5])-[C:6].[C:3](=[O:11])-[N:12](-[C:13])-[C:14]	1	4072
+[n:1]:1:[c:2](-[c:3]):[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:2](-[c:3])(=[O:9])-[O:10].[N:1]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7]	1	4073
+[n:1]:1:[c:2]:2:[c:3](:[c:4]:[c:5]:[n:6]:[c:7]:2):[c:8]:3:[c:9]:1:[n:10]:[c:11]:[c:12]:[c:13]:3>>[c:8]:1(:[c:9](:[n:10]:[c:11]:[c:12]:[c:13]:1)-[F:14])-[B:15](-[O:16])-[O:17].[N:1]-[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:[c:7]:1)-[I:18]	1	4074
+[n:1]:1:[c:2]:[c:3](-[C:4]#[C:5]):[c:6]:[n:7]:1>>[C:4](#[C:5])-[Si:9](-[C:10])(-[C:11])-[C:12].[n:1]:1:[c:2]:[c:3](:[c:6]:[n:7]:1)-[I:8]	1	4075
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[c:9]:[n:10]:1>>[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:11]-[C:12]-[C:13]):[c:9]:[n:10]:1.[N:6](-[C:7])-[C:8]	1	4076
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:8]):[c:6]:[c:7]:1>>[C:4](=[O:5])(-[C:10](-[F:9])(-[F:11])-[F:12])-[O:13]-[C:14](-[C:15](-[F:16])(-[F:17])-[F:18])=[O:19].[O:8].[n:1]:1:[c:2]:[c:3]:[c:6]:[c:7]:1	1	4077
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[c:6]):[c:7]:[c:9]:1:[n:8]>>[C:4](=[O:5])-[c:6].[n:1]:1:[c:2]:[c:3]:[c:7]:[c:9]:1:[n:8]	1	4078
+[n:1]:1:[c:2]:[c:3](-[C:4]=[O:5]):[c:6]:[n:7]:1>>[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:8]-[C:9]-[C:10]):[c:6]:[n:7]:1	1	4079
+[n:1]:1:[c:2]:[c:3](-[S:4](=[O:5])(=[O:6])-[N:7]-[C:8]):[c:9]:[c:10]:1>>[N:7]-[C:8].[S:4](=[O:5])(=[O:6])(-[Cl:11])-[O:12].[n:1]:1:[c:2]:[c:3]:[c:9]:[c:10]:1	1	4080
+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]:1>>[n:1]:1:[c:2]:[c:3]:[c:7]:[n:8]:1.[c:4](:[c:5])(:[c:6])-[B:9](-[O:10])-[O:11]	1	4081
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[n:5]:[c:6](-[N:7]):[n:8]:[c:9]:[c:10]:2):[c:11]:[n:12]:1>>[n:1]:1:[c:2]:[c:3](-[C:4](-[C:10])=[O:16]):[c:11]:[n:12]:1.[N:5]-[C:6](-[N:7])=[N:8].[C:9](-[N:14](-[C:13])-[C:15])(-[O:17]-[C:18])-[O:19]-[C:20]	1	4082
+[n:1]:1:[c:2]:[c:3]:2:[c:4](:[n:5]:[c:6](-[c:7]):[s:8]:2):[c:9]:[c:10]:1>>[n:1]:1:[c:2]:[c:3](:[c:4](-[N:5]-[C:6](-[c:7])=[O:15]):[c:9]:[c:10]:1)-[F:14].[S:8]=[C:11](-[N:12])-[N:13]	1	4083
+[n:1]:1:[c:2]:[c:3]:[c:4](-[c:5]):[n:6]:1>>[N:1]-[N:6].[C:2](-[N:8](-[C:7])-[C:9])(-[O:11]-[C:12])-[O:13]-[C:14].[C:3]-[C:4](-[c:5])=[O:10]	2	4084,4085
+[n:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5]:1:[n:6]:[c:7](-[C:8]):[n:9]:[c:10]:2-[O:11]>>[C:7](-[C:8])(=[O:12])-[O:13].[n:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:1-[N:6])-[C:10](-[N:9])=[O:11]	1	4086
+[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:8]>>[c:6](:[c:7])(:[c:8])-[B:9](-[O:10])-[O:11].[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1	1	4087
+[n:1]:1:[n:2]:[c:3](-[C:4]):[c:5](-[c:6]):[c:7]:1-[N:8]>>[C:3](-[C:4])(=[O:9])-[O:10]-[C:11]-[C:12].[N:1]-[N:2].[C:5](-[c:6])-[C:7]#[N:8]	1	4088
+[n:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7](:[c:8]:[n:9]):[c:11]:1:[n:10]>>[n:1]:1:[n:2]:[c:3](:[c:7](:[c:8]:[n:9]):[c:11]:1:[n:10])-[I:12].[c:4](:[c:5])(:[c:6])-[Br:13]	1	4089
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](=[O:6])-[N:7](-[C:8])-[C:9]):[c:10]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](=[O:6])-[O:11]-[C:12]-[C:13]):[c:10]:1.[N:7](-[C:8])-[C:9]	2	4090,4091
+[n:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](:[c:8]:1)-[Br:9].[c:5](:[c:6])(:[c:7])-[Br:10]	1	4092
+[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[Br:6]>>[Br:6]-[N:8]-1-[C:9](=[O:10])-[C:11]-[C:12]-[C:13]-1=[O:7].[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[C:15](=[O:14])-[O:16]-[C:17]-[C:18]	1	4093
+[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[C:8](-[N:7]-[C:6])-[C:9]>>[C:8](-[C:9])(=[O:10])-[O:11]-[C:12]-[C:13]-[C:14]-[C:15].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1.[C:6]-[N:7]	1	4094
+[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[C:8](-[N:7]-[C:6])-[C:9]>>[C:8](-[C:9])(=[O:10])-[O:11].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1.[C:6]-[N:7]	1	4095
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](-[N:6](-[C:7])-[C:8]):[n:9]:[c:10]:[n:11]:[c:12]:1:2>>[N:6](-[C:7])-[C:8].[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](:[n:9]:[c:10]:[n:11]:[c:12]:1:2)-[O:13]	2	4096,4097
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](-[O:6]):[c:7](-[C:8](=[O:9])-[O:10]-[C:14]):[c:11]:[n:12]:[c:13]:1:2>>[C:5](=[O:6])(-[C:7](-[C:8](=[O:9])-[O:18]-[C:19]-[C:20])=[C:11]-[O:10]-[C:14])-[O:17]-[C:16]-[C:15].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:13]:1-[N:12]	1	4098
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:8]>>[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[Sn:9](-[C:10]-[C:11]-[C:12]-[C:13])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:6](:[c:7]):[c:8]	1	4099
+[n:1]:[c:10]:1:[c:3](:[n:2]):[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:[n:9]:1>>[N:5]-[c:6].[n:1]:[c:10]:1:[c:3](:[n:2]):[c:4](:[n:7]:[c:8]:[n:9]:1)-[Cl:11]	1	4100
+[n:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[N:4].[n:1]:[c:2](-[C:3](=[O:6])-[O:7]):[c:5]	1	4101
+[n:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[Cl:7]):[c:5].[N:4]	1	4102
+[n:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]):[c:5].[N:4]	1	4103
+[n:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[c:5].[N:4]	1	4104
+[n:1]:[c:2](-[C:3](-[N:4])=[O:5]):[c:6]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:7]-[C:8]):[c:6].[N:4]	1	4105
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]>>[N:4].[n:1]:[c:2](-[C:3](-[O:6]-[C:8]-[C:9])=[O:7]):[c:5]	1	4106
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]>>[N:4].[n:1]:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[c:5]	1	4107
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]):[c:5].[N:4]	1	4108
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[c:5].[N:4]	1	4109
+[n:1]:[c:2](-[C:3](-[N:4])=[S:5]):[c:6]>>[N:4].[n:1]:[c:2](-[C:3](-[O:28])=[O:29]):[c:6].[S:5]=[P:8]-1(-[S:9]-[P:10](-[c:11]:2:[c:12]:[c:13]:[c:14](-[O:15]-[C:16]):[c:17]:[c:18]:2)(=[S:19])-[S:20]-1)-[c:21]:3:[c:7]:[c:27]:[c:24](:[c:23]:[c:22]:3)-[O:25]-[C:26]	1	4110
+[n:1]:[c:2](-[C:3](-[N:4])=[S:5]):[c:6]>>[N:4].[n:1]:[c:2](-[C:3](-[O:28]-[C:30]-[C:31])=[O:29]):[c:6].[S:5]=[P:8]-1(-[S:9]-[P:10](-[c:11]:2:[c:12]:[c:13]:[c:14](-[O:15]-[C:16]):[c:17]:[c:18]:2)(=[S:19])-[S:20]-1)-[c:21]:3:[c:7]:[c:27]:[c:24](:[c:23]:[c:22]:3)-[O:25]-[C:26]	1	4111
+[n:1]:[c:2](-[C:3](=[O:4])-[Cl:5]):[c:6]>>[Cl:5]-[S:7](=[O:8])-[Cl:9].[n:1]:[c:2](-[C:3](=[O:4])-[O:10]-[C:11]):[c:6]	1	4112
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[c:8]:[s:9]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:10]-[C:11]-[C:12]):[c:8]:[s:9].[N:5](-[C:6])-[C:7]	1	4113
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[c:8]>>[N:5](-[C:6])-[C:7].[n:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[c:8]	1	4114
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]:[n:8]>>[N:5]-[C:6].[n:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]):[c:7]:[n:8]	1	4115
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[n:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[c:7]	2	4116,4117
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[n:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]-[C:10]):[c:7]	1	4118
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-[c:7]):[c:8]>>[C:6](-[c:7])-[Br:10].[N:5].[n:1]:[c:2](-[C:3](=[O:4])-[O:9]):[c:8]	1	4119
+[n:1]:[c:2](-[C:3](=[O:5])-[Cl:6]):[c:4]>>[Cl:6]-[C:7](-[C:8](-[Cl:9])=[O:10])=[O:14].[n:1]:[c:2](-[C:3](=[O:5])-[O:11]-[C:12]-[C:13]):[c:4]	1	4120
+[n:1]:[c:2](-[C:3]-[C:4]-[C:5](=[O:7])-[O:8]):[c:6]>>[n:1]:[c:2](-[C:3]=[O:9]):[c:6].[C:4](-[C:5](=[O:7])-[O:8])=[P:10](-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)(-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2)-[c:23]:3:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:3	1	4121
+[n:1]:[c:2](-[C:3]-[Cl:4]):[c:5]>>[Cl:4]-[C:6]-[Cl:7].[n:1]:[c:2](-[C:3]=[O:8]):[c:5]	1	4122
+[n:1]:[c:2](-[C:3]-[Cl:4]):[c:5]>>[n:1]:[c:2](-[C:3]):[c:5].[Cl:4]-[C:6]-[Cl:7]	1	4123
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[n:1]:[c:2](-[C:3]):[c:7]	1	4124
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[n:1]:[c:2](-[C:3]-[O:8]):[c:7]	2	4125,4126
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]>>[N:4](-[C:5])(-[C:6])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[n:1]:[c:2](-[C:3]=[O:8]):[n:7]	1	4127
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]-[c:7](:[n:8]):[c:9]):[c:10]>>[N:4]-[C:5].[n:1]:[c:2](-[C:3]=[O:11]):[c:10].[C:6](-[c:7](:[n:8]):[c:9])=[O:12]	1	4128
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5]-[C:6])-[C:7]):[n:8]>>[n:1]:[c:2](-[C:3]=[O:9]):[n:8].[N:4]-[C:7].[C:5](-[C:6])=[O:10]	1	4129
+[n:1]:[c:2](-[C:3]-[N:4]-[C:5]):[c:6]>>[N:4]-[C:5].[n:1]:[c:2](-[C:3]-[O:7]):[c:6]	1	4130
+[n:1]:[c:2](-[C:3]-[O:4]):[c:5]>>[n:1]:[c:2](-[C:3](-[O:4]-[C:7])=[O:6]):[c:5]	1	4131
+[n:1]:[c:2](-[C:3]-[O:4]-[c:5]):[c:6]:[o:7]>>[O:4](-[c:5])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[n:1]:[c:2](-[C:3]-[Cl:8]):[c:6]:[o:7]	1	4132
+[n:1]:[c:2](-[C:3]-[O:5]):[c:4]>>[n:1]:[c:2](-[C:3]):[c:4].[O:5]=[Se:6]=[O:7]	1	4133
+[n:1]:[c:2](-[C:3]=1-[N:4]-[N:5]-[C:6](=[O:7])-[N:8]=1):[c:9]>>[n:1]:[c:2](-[C:3]#[N:8]):[c:9].[N:4]-[N:5].[C:6](=[O:7])(-[n:10]:1:[c:11]:[c:12]:[n:13]:[c:14]:1)-[n:15]:2:[c:16]:[c:17]:[n:18]:[c:19]:2	1	4134
+[n:1]:[c:2](-[C:3]=[C:4]-1-[C:5](=[O:6])-[N:7]-[c:8]:[c:9]-1):[c:10]>>[n:1]:[c:2](-[C:3]=[O:11]):[c:10].[C:4](-[C:5](=[O:6])-[O:12])-[c:9]:[c:8]-[N+:7](=[O:13])-[O-:14]	1	4135
+[n:1]:[c:2](-[C:3]=[N:4]-[N:5]):[c:6]>>[n:1]:[c:2](-[C:3]):[c:6].[N:4]-[N:5]	1	4136
+[n:1]:[c:2](-[C:3]=[N:4]-[O:5]):[c:6]>>[n:1]:[c:2](-[C:3](=[O:7])-[O:8]-[C:9]-[C:10]):[c:6].[N:4]-[O:5]	1	4137
+[n:1]:[c:2](-[C:3]=[N:4]-[O:5]):[c:6]>>[n:1]:[c:2](-[C:3]-[O:7]):[c:6].[N:4]-[O:5]	1	4138
+[n:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:6]-[C:7]-[C:8]):[c:5]	1	4139
+[n:1]:[c:2](-[C:3]=[O:4]):[n:5]>>[n:1]:[c:2](-[C:3]-[O:4]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1):[n:5]	1	4140
+[n:1]:[c:2](-[C:3]=[O:5]):[c:4]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:6]-[C:7]-[C:8]):[c:4]	1	4141
+[n:1]:[c:2](-[C:3]=[O:5]):[n:4]>>[n:1]:[c:2](-[C:3]-[O:5]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1):[n:4]	1	4142
+[n:1]:[c:2](-[C:3]=[O:6]):[c:4]:[s:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[c:4]:[s:5]	1	4143
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[s:7]>>[n:1]:[c:2](-[N:3]):[s:7].[C:4](=[O:5])(-[C:6])-[O:8]-[C:9]-[C:10]	1	4144
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[s:9]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2](-[N:3]):[s:9].[C:4](=[O:5])(-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:1)-[Cl:17]	1	4145
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[C:7](=[O:8])-[C:9]):[c:10]>>[C:4](=[O:5])(-[C:13](=[O:14])-[Cl:15])-[Cl:16].[N:6]-[C:7](=[O:8])-[C:9].[n:1]:[c:2](-[N+:3](=[O:11])-[O-:12]):[c:10]	1	4146
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[C:7]):[s:8]>>[N:6]-[C:7].[n:1]:[c:2](-[N:3]):[s:8].[C:4](=[O:5])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	4147
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[c:7]):[c:8]>>[n:1]:[c:2](-[N:3]):[c:8].[N:6]-[c:7].[C:4](=[O:5])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	4148
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[c:6]):[c:7]:[n:8]>>[C:4](=[O:5])(-[c:6])-[O:9]-[C:10].[n:1]:[c:2](-[N:3]):[c:7]:[n:8]	2	4149,4150
+[n:1]:[c:2](-[S:3]-[C:4]-[c:5](:[n:6]):[c:7]):[n:8]>>[C:4](-[c:5](:[n:6]):[c:7])-[O:9].[n:1]:[c:2](-[S:3]):[n:8]	1	4151
+[n:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]):[c:10]>>[N:4]-[c:5](:[c:6](:[c:7])-[N:9]):[c:8].[n:1]:[c:2](-[C:3](=[O:11])-[N:12](-[O:13]-[C:14])-[C:15]):[c:10]	1	4152
+[n:1]:[c:2]:1:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]:[n:9]:[n:10]:1>>[N:6]-[C:7].[n:1]:[c:2]:1:[c:3](-[C:4](=[O:5])-[O:11]-[C:12]-[C:13]):[c:8]:[n:9]:[n:10]:1	2	4153,4154
+[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n:7]:[c:8]:1-[N:9]):[n:10]>>[N:9].[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n+:7](:[c:8]:1)-[O-:11]):[n:10]	1	4155
+[n:1]:[c:2]:1:[c:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:[c:9]:[n:10]:1>>[N:5](-[C:6])-[C:7].[n:1]:[c:2]:1:[c:3]:[c:4](:[n:8]:[c:9]:[n:10]:1)-[O:11]	1	4156
+[n:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:[n:9]:1>>[N:5]-[c:6].[n:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[n:9]:1)-[O:10]	1	4157
+[n:1]:[c:2]:[c:3](-[C:4]#[N:5]):[s:6]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:7])-[O:8]-[C:9]-[C:10]):[s:6].[N:5]	1	4158
+[n:1]:[c:2]:[c:3](-[C:4](-[N:5])=[O:6]):[c:7]:[n:8]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:6])-[O:9]-[C:10]-[C:11]):[c:7]:[n:8].[N:5]	1	4159
+[n:1]:[c:2]:[c:3](-[C:4](=[C:5]-[C:6])-[C:7]):[c:8]>>[C:4](=[C:5]-[C:6])(-[C:7])-[B:9]-1-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14](-[O:15]-1)(-[C:16])-[C:17].[n:1]:[c:2]:[c:3]:[c:8]	1	4160
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[c:9]:[n:10]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:11]-[C:12]):[c:9]:[n:10]	1	4161
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]:[n:9]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3](-[C:4]=[O:5]):[c:8]:[n:9]	1	4162
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[n:8]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:9]-[C:10]):[n:8].[N:6]-[C:7]	1	4163
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]):[n:10]>>[N+:6](-[c:7](:[n:8]):[c:9])(=[O:12])-[O-:13].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:11]):[n:10]	1	4164
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]):[n:10]>>[N:6]-[c:7](:[n:8]):[c:9].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:11]-[C:12]):[n:10]	1	4165
+[n:1]:[c:2]:[c:3](-[C:4]-[O:5]):[n:6]>>[n:1]:[c:2]:[c:3](-[C:4](-[O:5]-[C:8])=[O:7]):[n:6]	1	4166
+[n:1]:[c:2]:[c:3](-[C:4]=[O:5]):[c:6]:[n:7]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:8]-[C:9]-[C:10]):[c:6]:[n:7]	1	4167
+[n:1]:[c:2]:[c:3](-[N:4]):[c:5]>>[N+:4](-[O:6])(-[O-:7])=[O:8].[n:1]:[c:2]:[c:3]:[c:5]	1	4168
+[n:1]:[c:2]:[c:3](-[N:4]-[C:5](=[O:6])-[C:7]):[c:8]:[n:9]>>[n:1]:[c:2]:[c:3](-[N+:4](=[O:10])-[O-:11]):[c:8]:[n:9].[C:5](=[O:6])(-[C:7])-[O:12]	1	4169
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]>>[c:4](:[c:5])(:[c:6])-[B:8]-1-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13](-[O:14]-1)(-[C:15])-[C:16].[n:1]:[c:2]:[c:3]:[c:7]	1	4170
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]>>[c:4](:[c:5])(:[c:6])-[Br:9].[n:1]:[c:2]:[c:3](:[c:7])-[Br:8]	1	4171
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[n:7]:[n:8]>>[c:4](:[c:5])(:[c:6])-[B:9](-[O:10])-[O:11].[n:1]:[c:2]:[c:3]:[n:7]:[n:8]	1	4172
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8]>>[c:4](:[c:5]:[n:6])(:[c:7])-[Br:10].[n:1]:[c:2]:[c:3](:[c:8])-[Br:9]	1	4173
+[n:1]:[c:2]:[c:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1):[c:9]>>[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[I:11].[n:1]:[c:2]:[c:3](:[c:9])-[Br:10]	1	4174
+[n:1]:[c:2]:[c:3](:[c:4]:[n:5])-[N:6](-[C:7])-[C:8](=[O:9])-[C:10]>>[C:7]-[I:16].[n:1]:[c:2]:[c:3](:[c:4]:[n:5])-[N+:6](=[O:11])-[O-:12].[C:8](=[O:9])(-[C:10])-[O:13]-[C:14]-[C:15]	1	4175
+[n:1]:[c:2]:[c:3]-[C:4]#[N:5]>>[N:5].[n:1]:[c:2]:[c:3]-[C:4](=[O:6])-[O:7]	1	4176
+[n:1]:[c:2]:[c:3]-[C:4](-[N:5])=[O:6]>>[N:5].[n:1]:[c:2]:[c:3]-[C:4](=[O:6])-[O:7]-[C:8]-[C:9]	1	4177
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:9]-[C:10]	1	4178
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:9]-[C:10]-[C:11]	1	4179
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[C:7]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:9]	3	4180,4181,4182
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[C:7]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:9]-[C:10]	1	4183
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[C:7]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:9].[N:6]-[C:7]	3	4184,4185,4186
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]>>[N:6]-[c:7](:[n:8]):[c:9].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:10]-[C:11]	1	4187
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7]>>[N:6]-[c:7].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:9]-[C:10]	1	4188
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:9].[N:6]-[c:7]	2	4189,4190
+[n:1]:[c:2]:[c:3]-[C:4]-[C:5]#[N:6]>>[C:5]#[N:6].[n:1]:[c:2]:[c:3]-[C:4]	2	4191,4192
+[n:1]:[c:2]:[c:3]-[C:4]-[Cl:5]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:9])-[O:10]-[C:11].[Cl:5]-[S:6](=[O:7])-[Cl:8]	1	4193
+[n:1]:[c:2]:[c:3]-[C:4]-[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[O:5]-[C:6])=[O:7]	1	4194
+[n:1]:[c:2]:[c:3]-[C:4]-[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[O:5]-[C:7])=[O:6]	1	4195
+[n:1]:[c:2]:[c:3]-[C:4]=[N:5]-[O:6]>>[n:1]:[c:2]:[c:3]-[C:4]-[O:7].[N:5]-[O:6]	1	4196
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[O:5])=[O:6]	1	4197
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[O:5]-[C:6])=[O:7]	1	4198
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[O:5]-[C:7])=[O:6]	1	4199
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4]-[O:5]-[C:6]	1	4200
+[n:1]:[c:2]:[c:3]-[N:4]-[C:5](=[O:6])-[c:7]>>[n:1]:[c:2]:[c:3]-[N+:4](=[O:8])-[O-:9].[C:5](=[O:6])(-[c:7])-[Cl:10]	1	4201
+[n:1]:[c:2]:[c:3]-[N:4]-[C:5]-[C:6]>>[C:5](-[C:6])-[O:7].[n:1]:[c:2]:[c:3]-[N:4]	1	4202
+[n:1]:[c:2]:[c:3]-[N:4]-[S:5](-[C:6])(=[O:7])=[O:8]>>[n:1]:[c:2]:[c:3]-[N+:4](=[O:9])-[O-:10].[S:5](-[C:6])(=[O:7])(=[O:8])-[Cl:11]	2	4203,4204
+[n:1]:[c:2]:[c:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[n:8]:1>>[n:1]:[c:2]:[c:3]-[C:4]#[C:5]-[Si:9](-[C:10])(-[C:11])-[C:12].[N-:6]=[N+:7]=[N:8]-[Si:13](-[C:14])(-[C:15])-[C:16]	1	4205
+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[C:8]):[o:9]:1>>[n:1]:[c:2]:[c:3]-[C:4](=[O:10])-[O:11].[N:5]-[N:6]-[C:7](-[C:8])=[O:9]	1	4206
+[n:1]:[c:2]:[c:5]-[C:3]#[N:4]>>[N:4]-[O:6].[n:1]:[c:2]:[c:5]-[C:3]=[O:7]	1	4207
+[n:1]:[c:2]:[c:5]-[C:3]#[N:4]>>[n:1]:[c:2]:[c:5]-[C:3]=[O:7].[N:4]-[O:6]	1	4208
+[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[N:6]-[c:7]:1:[c:8]:[c:9](:[n:10]):[n:11]:[c:12]:[c:13]:1>>[c:7]:1(:[c:8]:[c:9](:[n:10]):[n:11]:[c:12]:[c:13]:1)-[Br:22].[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[O:14].[N:6]-[C:20](-[O:19]-[C:16](-[C:15])(-[C:17])-[C:18])=[O:21]	1	4209
+[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[N:6]-[c:7]>>[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[O:8].[N:6](-[c:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15]	1	4210
+[n:1]:[c:3](:[c:2])-[C:4]-[O:5]>>[n:1]:[c:3](:[c:2])-[C:4](-[O:5]-[C:7])=[O:6]	1	4211
+[n:1]:[c:3](:[c:2])-[C:4]=[O:5]>>[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[O:6]-[C:7]	1	4212
+[n:1]:[c:3](:[c:2])-[N:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[N:7]-[c:8].[n:1]:[c:3](:[c:2])-[N:4].[C:5](=[O:6])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	4213
+[n:1]:[c:3]:1:[c:2]:[n:9]:[c:8]:[n:7]:[c:4]:1-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:11])-[O-:12].[n:1]:[c:3]:1:[c:2]:[n:9]:[c:8]:[n:7]:[c:4]:1-[Cl:10]	1	4214
+[n:1]:[c:4]:1:[c:3](:[n:2]):[c:9](:[n:8]:[c:6](:[c:5]:1):[c:7])-[N:10]>>[n:1]:[c:4]:1:[c:3](:[n:2]):[c:9]:[n+:8](:[c:6](:[c:5]:1):[c:7])-[O-:11].[N:10]	1	4215
+[n:1]:[c:6]:[c:3](:[n:2])-[C:4]=[O:5]>>[n:1]:[c:6]:[c:3](:[n:2])-[C:4](=[O:5])-[O:7]-[C:8]-[C:9]	1	4216
+[n:1]:[c:8](-[N:4](-[C:3]-[C:2])-[c:5]:[c:7]:[n:6]):[n:9]>>[n:1]:[c:8](-[N:4]-[c:5]:[c:7]:[n:6]):[n:9].[C:2]-[C:3](=[O:10])-[O:11]-[C:12]-[C:13]	1	4217
+[n:1]:[n:2]:1:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8]:[n:9]:[c:10]:1>>[c:4](:[c:5]:[n:6])(:[c:7])-[B:11]-1-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16](-[O:17]-1)(-[C:18])-[C:19].[n:1]:[n:2]:1:[c:3]:[c:8]:[n:9]:[c:10]:1	1	4218
+[o:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[N:9]):[c:10]>>[N:5](-[C:6]-[C:7](=[O:8])-[N:9])-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[o:1]:[c:2](-[C:3](=[O:4])-[O:11]):[c:10]	1	4219
+[o:1]:[c:2]:[c:10]:[c:4](:[c:3])-[N:5]-[S:6](-[C:7])(=[O:8])=[O:9]>>[N+:5](-[O:12])(-[O-:13])=[O:14].[S:6](-[C:7])(=[O:8])(=[O:9])-[Cl:11].[o:1]:[c:2]:[c:10]:[c:4]:[c:3]	1	4220
+[o:1]:[c:2]:[c:6]:[c:4](:[c:3])-[N:5]>>[N+:5](-[O:7])(-[O-:8])=[O:9].[o:1]:[c:2]:[c:6]:[c:4]:[c:3]	1	4221
+[s:1]:[c:2](-[C:3](-[N:4])=[O:5]):[c:6]>>[s:1]:[c:2](-[C:3](-[O:5]-[C:8])=[O:7]):[c:6].[N:4]	1	4222
+[s:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[n:8]>>[N:5](-[C:6])-[C:7].[s:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[n:8]	2	4223,4224
+[s:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[N:5](-[C:6])(-[C:9](-[C:10])(-[C:11])-[C:12])-[C:13](=[O:14])-[O:15].[s:1]:[c:2](-[C:3](=[O:4])-[O:8]):[c:7]	1	4225
+[s:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[s:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[c:7]	3	4226,4227,4228
+[s:1]:[c:2](-[N:3]-1-[C:4]-[C:5]-[N:6](-[C:7]-[c:8])-[C:9]-1=[O:10]):[n:11]>>[C:4](-[C:5]-[N:6]=[C:9]=[O:10])-[Cl:12].[s:1]:[c:2](-[N:3]):[n:11].[C:7](-[c:8])-[Br:13]	1	4229
+[s:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[C:6]):[n:7]:[c:8]:[c:9]:1>>[s:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[c:9]:1)-[O:10].[N:5]-[C:6]	1	4230
+[s:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:[n:9]:1>>[N:5]-[c:6].[s:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[n:9]:1)-[O:10]	1	4231
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/composite_policy_data.tsv b/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/composite_policy_data.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..2a51cb83bc834ff2fcc340b3075a10815f8c4dd9
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/composite_policy_data.tsv
@@ -0,0 +1,4233 @@
+product_smiles	rule_id
+CC1(C)OB(OC1(C)C)c2c(C=O)ccc(c2)OC3CCCC3	0
+C(Br)CCCCOCCCCBr	1
+c1cc(ccc1CCCOCc2ccccc2)CBr	2
+C[Si](C)(C)OC(CC#C)(CCC)CCCC	3
+c1(nc(-c2nc(CCC)ccc2)nc(c1)C)OCC#C	4
+C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O	5
+c1cc(ccc1C(C)(C)C#C)F	6
+C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O	7
+C1CC1N(C)Cc2c(ccc(C#Cc3ccc(cc3)CC(=O)OC)c2)C(=O)OC(C)C	8
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+](=O)[O-])C#Cc2ccc(cc2)F	8
+CC(C)(C)OC(COc1c(C#Cc2cc(S(=O)(=O)C)ccc2O)cc(Cl)cc1)=O	8
+c1cc(ccc1C#Cc2cc(CCCC#N)c(F)cc2)OC(F)F	8
+c1cc(ccc1Cl)C#Cc2ccc(c(C#N)n2)N	8
+c1(c(nc(c(-c2ccncn2)c1)-c3occc3)N)C#Cc4cccc(c4)F	9
+c1cc(ccc1C#Cc2cccc(N)n2)C(OCC)=O	10
+c1cc(ccc1C#Cc2c([N+]([O-])=O)cccn2)CCC(=O)OC	11
+C[Si](C)(C)C#Cc1ccc(cc1)N(CCCC)CCCC	12
+C[Si](C)(C)C#Cc1cc(cnc1N)Cl	13
+C[Si](C)(C)C#Cc1cc(OC(C)c2c(ccc(F)c2Cl)Cl)c(nc1)N	14
+C1CC1C(c2ccc(cc2)Cl)=C(C=O)F	15
+c1cc(ccc1C)Cc2nc(O)c(nn2)C(NC(=O)C(CCCCC)C(C)=O)C	16
+FC(F)(F)C(F)(F)CCNC(C(C)(F)C(NC1C(N(c2c(-c3c1cccc3)cccc2)CC4CC4)=O)=O)=O	17
+c1ncncc1Cn2nc(-c3nc(c(nn3)C(C)(C)C(=O)OC)O)c4cc(cnc24)F	18
+O=C(OCC)C(C(=O)OCC)C(=O)c1cc(F)c(cc1Br)F	19
+CC(C)(C)OC(N1CC2(C1)CC(C2)OS(=O)(=O)C)=O	20
+C1N(CC1C(Nc2ccccc2N)=O)c3cc(nc(C)n3)-n4nc(nc4C)C	21
+C1(Cl)CCOc2cc(ccc12)F	22
+O=S(=O)(c1ccc2c(CCCC2Cl)c1)c3ccccc3	22
+CC(C)(C)OC(N1CC(CC1)NC(=O)COCCBr)=O	23
+c1cc(ccc1C#N)CCCBr	24
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=O)(=NCCBr)C	24
+N1(C(=O)C)c2cc(C)cc(C)c2C(C1)CCBr	25
+O=C1Nc2c(cccc2)C(C1)CCCl	26
+O=C1Nc2c(cccc2)C(C1)CCCl	27
+CC(C)(C)OC(=O)N1CC(c2ccccc2)CC1COC	28
+CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2	29
+CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2	30
+CC(C)(CO)c1ccc(cc1)F	30
+O=C1Nc2c(cccc2)C(CCO)C1	30
+OCCC1COc2c(cccc2)O1	30
+C1CC(CCC1)=CCCCCCO	31
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCO)C3=O	31
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CO	31
+c1(CCO)ccc([N+]([O-])=O)cc1Cl	31
+C(O)CC1n2c(cc(I)c2)C(NC1)=O	32
+c1cc(ccc1)C(c2ccccc2)CO	33
+c1cnccc1N2CCC(CC2)CO	33
+O=S(=O)(OCCC1n2cc(I)cc2C(=O)NC1)C	34
+CC(C)(C)OC(N1CC(c2ccccc2)CC1COS(=O)(=O)C)=O	35
+C1CC(CCC1COS(=O)(=O)C)C(OCCCC)=O	36
+c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C	37
+c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C	38
+O=S(=O)(C)OCC(c1ccc(Cl)c(c1)Cl)CCOC2OCCCC2	39
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(CCOS(=O)(=O)C)nc4	40
+O=S(=O)(C)OCCCc1ccc(cc1)Br	41
+C(=O)Cc1ccc([N+]([O-])=O)cc1Cl	42
+FC(F)(F)c1ccc(cc1)CCC=O	42
+c1cc(ccc1F)C(C)(C)C=O	43
+C(=O)Cc1ccc([N+]([O-])=O)cc1Cl	44
+CC(C)(C)OC(=O)NCC(C=O)C	45
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C=O	46
+c1cc(ccc1F)C(C)(C)C=O	47
+CC(C)(C)OC(=O)Nc1onc(C(C)(C)C=O)c1	48
+c1ccccc1[Si](c2ccccc2)(N3C(=O)CC3C=O)C(C)(C)C	49
+c1cc(ccc1C2C(C2)CCO)Br	50
+c1cc(ccc1C2C(C2)CCO)Br	51
+Fc1cc(cc(F)c1C)CCC(OCCCC)=O	52
+c1cc(ccc1CCC(OCC)=O)C#N	52
+c1cc(ccc1C#N)CCCO	53
+c1cc(ccc1N2C(=O)C(COS(=O)(=O)C)CC2)Cl	54
+C1CN(CCC1(F)F)CCO	55
+CC(C)(C)OC(NCC(CNc1cc2c(cc1)N(CC3CC3)C(=O)C2)O)=O	56
+c1cc(ccc1Cl)Oc2cc(CCC)c(C(=O)COc3ccc(cc3)OC)cc2	57
+Clc1c(OC)cc(CC#N)c(Cl)c1	58
+Clc1c(OC)cc(CC#N)c(Cl)c1	59
+c1cc(ccc1)-c2c3ccc(cc3no2)CC#N	60
+c1cc(ccc1C(=O)c2cc(CC#N)ccc2)Cl	60
+FC(F)(F)c1cc(Oc2ccc(cc2)CCO)ccc1Cl	61
+CC(C)(C)OC(NC(c1ccnc(-c2c(cnn2C(F)F)NC(C(C=C)C)=O)c1)CC=C)=O	62
+c1(C=CCO)c(cccc1)Br	63
+CC(C)(C)c1nnc(NC(N(C(C)C=O)C)=O)s1	64
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(c1)NC(=O)CC(=O)c2cccc(-c3ccc(OC)nn3)c2)N(C)C	65
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(=O)CC(=O)c3cc(-n4ccnc4SCOC)ccc3)=O	66
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(CC(=O)c3sc(C#N)cc3)=O)=O	66
+FC(F)(F)c1c(cc(c(c1)NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)NC(=O)OC(C)(C)C)N4CCSCC4	66
+C1CN(CCC1N2C(C(CC2)Oc3cc(F)c(S(=O)(=O)C)cc3F)=O)C#N	67
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)OCc4cc5c(OCO5)cc4)=O)=O	68
+N(C(C)=O)C1C(=O)NC(C(NC(CC(C)CCCCCCC1)C(O)CC(C)C(NCCCC)=O)=O)C	69
+C1CC(CCN1OC)(C(OC)=O)NC(=O)Cc2c(C)cc(F)c(c2)Br	70
+C[Si](C)(C)CCOCn1cc(C(NC(C(C)(C)C)C(N2CCC(CC2)C#N)=O)=O)c3c1ncc(Br)n3	71
+CC(C)(C)C(NC(=O)c1c2cccc(c2n(n1)Cc3ccc(cc3)C#N)F)C(=O)NCCO	72
+C(C)C(CC)(C(NC)=O)NC(=O)c1ccc(OC)c(-c2cc(ccc2)Cl)n1	73
+c1c(C)cc(cc1CC(C(NCC#N)=O)NC(c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(N)=O)=O)C	74
+CC(C)(C)C(NC(c1ccc(cc1)-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)=O)C(=O)OC(C)(C)C	75
+CC(C)(C)OC(NC1CCC2CN(CC12)Cc3ccccc3)=O	76
+CC(C)(C)OC(NCC(c1cc2cc[nH]c2cc1)c3ccccc3)=O	77
+c1cc(ccc1C(NC)=O)OCC(O)CN(Cc2ccccc2)C(COc3cc4c(OC(C)(C)NC4=O)cc3)C	78
+C1CC(CCN1CC(O)COc2nccnc2Cl)N3CCN(c4ccccc4)C3=O	79
+c1cc(ccc1OC)CC(C)(C)NCC(O)COCC=C	80
+c1ccccc1Oc2cnc(cc2)CO	81
+C1C(C(c2ccc(cc2Cl)F)O)C1C#N	82
+C1C(C(c2ccc(cc2Cl)F)O)C1C#N	83
+N#CC1CC1C(c2ccc(cc2Cl)F)=O	84
+c1cc(ccc1)C(Cc2cc(ccc2)C)=O	85
+c1cc(ccc1)C(=O)c2c(N)ccc(c2)F	86
+c1cc(ccc1CO)CCCOCc2ccccc2	87
+O=S(=O)(c1ccc(cc1)Br)n2c3ccccc3cc2C=O	88
+[nH]1c(C=O)cc2c1cccc2	88
+C1(N2C(CCC2)c3n(-c4ccccc14)cnc3C=O)=O	89
+C1CN(CCC1)c2nc(cs2)C=O	90
+Clc1cc2c([nH]nc2C=O)cc1	91
+CC(C)(C)OC(N1CCN(CC1)c2cccc(c2)C(Nc3ccccc3N)=O)=O	92
+COc1c(cc(cc1)C(=O)c2ccc(c(c2)OCC)OC)[N+](=O)[O-]	93
+CC(C)(C)C(=O)Oc1cccc(CBr)c1	94
+Clc1cnc(Oc2cccc(CBr)c2)cc1	94
+BrCc1c(Cl)cc(Cl)c(c1)OC	95
+FC(F)(F)c1c(CBr)ccc(I)c1	95
+O=S(=O)(c1ccc(c(c1)Cl)CBr)C	96
+c1c(Cl)c(c(cc1OCc2ccccc2)Cl)CBr	96
+[N+](c1cc(CBr)cc(Br)c1)([O-])=O	97
+C(c1cc2c(cc1)cc(F)cc2)Br	98
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CBr	99
+CC(C)N1C(c2cc(ccc2C(=N1)Br)CBr)=O	100
+c1(OC)cc(CBr)cc(Br)c1	101
+C1CC1c2cccc(c2CCl)F	102
+COc1cc2c(ccnc2cc1)CCl	103
+FC(F)(F)c1c(F)ccc(Oc2ccc(cc2C#N)CCl)c1	104
+Clc1cc(cc(OC)c1)CCl	105
+FC1(F)Oc2c(ccc(CCl)c2)O1	106
+FC(F)(F)c1cc(ccc1CC2CCCCC2)CCl	107
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3nc(cs3)C=4CC(ON=4)c5c(CCl)cccc5	108
+O=S(=O)(c1c(CO)ccc(Br)c1)C	109
+c12c(cc(CO)c(c1)OC)cc(cc2)Br	109
+c1c(ccc([N+]([O-])=O)c1CO)C(=O)OC	110
+O=S(=O)(OCc1c(cc(C#N)c(F)c1)F)C	111
+c1c(cc(C)c2Cc3c(cccc3C)-c12)C	112
+Clc1ccc(c(C=O)c1)Sc2cccs2	113
+c1c(C=O)cc2cc(c(OC)c(c2c1)OC)OC	113
+c12c(cc(c(c1)OC)C=O)cc(cc2)Br	114
+O=Cc1ccc([N+]([O-])=O)cc1F	115
+c1(C=O)cc2nn[nH]c2cc1	116
+c1cc(ccc1C=O)-c2cnco2	116
+c1ccccc1CCCCC#Cc2ccc(C=O)cc2F	117
+O=Cc1cc(ccc1[N+]([O-])=O)C(=O)OC	118
+c12c(cc(c(c1)OC)C=O)cc(cc2)Br	119
+O=Cc1cc(ccc1[N+]([O-])=O)C(=O)OC	120
+c1c(cc(I)c(c1)C=O)Br	121
+FC(F)(F)c1ccc(cc1)-c2n(C)c(c(n2)C=O)C	122
+c1cc(ccc1C)CC2=Nn3c(C(N2)=O)c(C)nc3C(C(C)O)CCCCC	123
+c1cc(ccc1C)CC2=NC(c3c(C)nc(C(CCCCC)C(=O)C)n3N2)=O	124
+c1cc(ccc1C)CC2=NC(c3c(C)nc(C(CCCCC)C(=O)C)n3N2)=O	125
+c1cc(ccc1F)-c2c(CCl)c(nc(C(C)C)c2C(OCC)=O)C(C)C	126
+c1cc(ccc1Cl)-c2cncc(CCl)c2	127
+c1cc(ccc1)COc2ccc3c(ccc(c3)Cn4cc(c(-c5ccccc5)c4)C=O)c2	128
+c1(CCl)cccnc1N2CC(CC2)F	129
+c12c(c(Cl)ccc1)nc(-c3c(cccc3)F)c(CCl)c2	130
+c1ccccc1C(O)c2cc(C(=O)C=CN(C)C)ccc2F	131
+C(OCCCl)CC(Cl)=O	132
+FC(F)(c1ccccc1)CNc2c(F)c(c(cc2)Cl)CC(=O)O	133
+c1(N2C(CC(C(OC)=O)C2)=O)ccc(c(C)c1)O	134
+c1c(c(cc(c1)NC(CC(OC)=O)=O)F)OCc2cccc(F)c2	135
+c1ccccc1COC(=O)NC2C(CC(=O)CC2)NC(OCc3ccccc3)=O	136
+CC(C)(C)OC(=O)COCc1cc(ccn1)C(F)(F)F	137
+c1cc(ccc1)OC(=O)Nc2cc3CCCc3nc2	138
+C1CCCC1n2c(cc3c2nc(Cl)nc3)C(O)=O	139
+O=S(=O)(c1ccccc1)Nc2c(scc2)C(=O)Cl	140
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(Cl)=O)s3	140
+c1cc(c(c(C(Cl)=O)c1OC)F)OC	141
+c1ccccc1CCN2C3CC(CC2CC3)=C(c4ccccc4)c5ccc(cc5)C(Cl)=O	142
+O=S(=O)(C)c1c(-c2nocc2)c(C)c(cc1)C(Cl)=O	143
+c1ccccc1COc2cc(OCc3ccccc3)c(C(Cl)=O)cc2Br	143
+FC(F)Oc1c(F)c(C(=O)Cl)cc(c1F)F	144
+c1cc(ccc1C2CCCCC2)C(N3c4c(cccc4)Cn5c(C(=O)O)ccc5C3)=O	145
+[nH]1cc(c2ccc([N+]([O-])=O)cc12)C(=O)O	146
+c1cc(ccc1)COc2c(C(C)C)cc(-c3onc(c3)C(=O)OCC)c(OCc4ccccc4)c2	147
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)N(OC)C	148
+FC(F)(F)C(C)NC(C(c1cn(c(c1)C(Nc2cc(c(F)cc2)C)=O)C)=O)=O	149
+C1CN(CCN1CC(=O)c2cc(OC)c(cc2)OC)C=3C(=O)C=CC=CC=3	150
+c1cc(ccc1C(c2ccc(cc2)F)=C(C=CC=O)c3n(nnn3)C)F	151
+FC(F)=C(C)CCOC(c1cnc(OCCCC)cc1)=O	152
+c1ccccc1COC(c2cc(ccc2N)C#N)=O	153
+c1cc(ccc1C=CC(OCCCCCCCl)=O)OC(c2ccc(cc2)OCCOC)=O	154
+c1cc(ccc1F)Sc2c(C=O)c(ccc2)F	155
+Clc1ccc(c(Cl)c1)OC(c2sc(nn2)N=C=O)C	156
+FC(F)(F)COc1ccc(cc1)N=C=S	157
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)N=C=S)Cl	157
+C1CN(CCC12OC2)c3ncnc(Cl)c3	158
+C1COC(O1)(C2OCC(N(Cc3ccccc3)C2)=O)C	159
+CC(C)(C)OC(NCC1OC(N(C1)c2cc3CC(N(CC4CC4)c3cc2)=O)=O)=O	160
+c1cc(ccc1)C2COCC(N2)=O	161
+C1CN(CCC12C(=C(c3c(C)cc(F)c(c3)Br)C(=O)N2)O)OC	162
+c1cc(ccc1-c2c3c(nccn3c(C4N(C(=O)C#CC)CCC4)n2)N)C(=O)Nc5sc6CCCCc6n5	163
+c1(cnc(C(CCCCC#Cc2c(cccc2)Cl)=O)o1)-c3ncccc3	164
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCO	165
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC#N	166
+CC(C)(C)OC(=O)N1CC(CC(C#N)C1)N(CC(C)C)C(c2nc3ccccc3n2CCCCOC)=O	167
+CC(C)(C)C(=O)N(C1CC(C#N)N(C(OC(C)(C)C)=O)C1)C2CCC(CC2)C	168
+CC(C)(C)OC(=O)C1C2(CCC(CC2)(CN)C1)C#N	168
+CC(C)(C)OC(=O)N1CC(CC(C#N)C1)N(CC(C)C)C(c2nc3ccccc3n2CCCCOC)=O	168
+CC(C)(C)OC(=O)N1CCCC1C#N	168
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)C#N	168
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC#N	168
+[N+]([O-])(=O)c1ccccc1Oc2cc(ccc2)OC(C)C#N	168
+c1cc(ccc1C2N(C(CC)CC)C(=O)C(CC#N)(CC2c3cccc(Cl)c3)C)Cl	169
+c1cc(ccc1CC(NC(=O)CCCCCCc2ccccc2)CCC#N)OCc3ccccc3	169
+c1ccccc1-c2c3c(n(CC#N)n2)C(=O)N(c4ccc(cc4)Cl)C(=N3)c5ccc(cc5)C(C)C	169
+c1cc(ccc1CC(NC(=O)CCCCCCc2ccccc2)CCC#N)OCc3ccccc3	170
+[N+]([O-])(=O)c1ccccc1Oc2cc(ccc2)OC(C)C#N	171
+CCC=CCCC(CCC=CCC)C#N	172
+CC(C)(C)OC(C1(CCOCC1)CN2CCC(CC2)C#N)=O	173
+CN(C)C(N1CC2C(CC(C2)C#N)C1)=O	174
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)C#N	175
+c1cc(ccc1C(C(C)(C)N2CCOCC2)=O)N3CCCCC3	176
+c1cc(ccc1C(C(C)(C)N2CCOCC2)=O)N3CCCCC3	177
+CC(C)(C)OC(=O)N1C(CC2(CC2)C1)CO	178
+CC(C)(C)OC(N1CC(C(c2ccc(c(c2)Cl)Cl)C1)C(OC)=O)=O	178
+CC(C)(C)OC(N1CCC2C(c3c(scc3)C2)C1)=O	178
+CC(C)(C)OC(N1Cc2c(cccc2C1)C#N)=O	178
+CC(C)(C)OC(N1CC(F)(F)C(O)CC1)=O	179
+CC(C)(C)OC(=O)N1CCc2sccc2CC1	180
+CC(C)(C)OC(=O)N1CCC2(N(Cc3ccccc3)CCC2)C1	181
+CC(C)(C)OC(=O)N(CCc1ccc([N+](=O)[O-])cc1Cl)Cc2ccc(cc2)F	182
+CC(C)(C)OC(N1CC(c2ccc(cc2)N)SCC1)=O	183
+CC(C)(C)OC(=O)N1C(C)(C)CN(C2(CCCC2)C1)Cc3ccccc3	184
+CC(C)(C)OC(=O)N1CC(C)(C)c2cnc(Cl)cc12	185
+CC(C)(C)OC(=O)N(C1CC1)Cc2cc(Br)ccc2Cl	186
+CC(C)(C)OC(=O)N(C1CC1)Cc2cc(Br)ccc2Cl	187
+CC(C)(C)OC(=O)N(c1ccc(cc1)S(=O)(=O)C)C2CCNC2	188
+CC(C)(C)OC(=O)NCCC1CN(CC1)Cc2ccccc2	189
+CC(C)(C)OC(NCCc1ccc(Br)cn1)=O	189
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CNC(OC(C)(C)C)=O	189
+CC(C)(C)OC(NCCC1(CCN(CC1)Cc2ccccc2)O)=O	190
+CC(C)(C)OC(NC(CC(=O)OCC)Cc1c(F)ccc(F)c1)=O	191
+CC(C)(C)OC(=O)NCc1cc(F)c(cc1F)C#N	192
+CC(C)(C)OC(=O)Nc1ccc(nc1)CC(OCC)=O	193
+CC(C)(C)OC(Nc1c(OCc2ccccc2)cccc1F)=O	194
+CN(C)C(CN)(C)CCCC	195
+CN(C)C(C)(CCCC)CNC(=O)c1ccc(c(Cl)c1)Cl	196
+O=S(=O)(C(C(C)(C)O)c1cc(ccc1)OCc2ccccc2)NCc3c(cc(OC)cc3)OC	197
+c1ccccc1CCC(C)CC(=O)OCC	198
+CC(C)(C)OC(=O)N(Cc1c([N+](=O)[O-])cccc1)C(C)C	199
+c1ccccc1OCCC(N(C)C)C	200
+c1cc(ccc1C(C)=O)CC(NCC(O)c2ccccc2)C	201
+CC(C)Nc1c(Nc2ccccc2)nccc1	202
+C(C)C(CC)Nc1c(nccc1)N2CCN(CC2)C(OCc3ccccc3)=O	203
+C=1(C(=O)NC(=O)C=1c2cc(NC(CCO)C)ccc2)c3c4ccccc4n(C)c3	204
+[N-]=[N+]=NC(C)CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C	205
+C(CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C)(C)N	206
+C(CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C)(C)N	207
+CC(C)(C)[Si](C)(C)OC(Cc1ccc(cc1)F)CCC2NC(CC2)=O	208
+FC(F)(F)c1cc(Cl)c(nc1)-c2ccc(Cl)c(OC(C)C)c2	209
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(OC(C)C)ccc13)C	209
+CC(C)(C)[Si](C)(C)OCC1Cc2ccc3c(c2O1)CCC3	210
+CC(C)(C)OC(NC(CCC(SC(C)=O)CNC(=O)OCc1ccc(cc1)[N+](=O)[O-])C(OC)=O)=O	211
+c1cc(ccc1)CN2CC3C(CC(C2)C3)=O	212
+c1cc(ccc1C(C)=O)CC(C)=O	212
+C[Si](C)(C)OC(CC#C)(C(F)F)CCCC	213
+CC(C)(C)OC(N1CC(F)(F)C(CCO)CC1)=O	214
+C1CC(CCN1OC)CCO	215
+CC1(C)CCOc2cc(C(CCCCC)CO)ccc12	216
+FC(F)(F)c1ccc(Cl)cc1CC2C(=O)c3cc(c(N4CCOCC4)cc3C2)OC	217
+C1CN(CCC1C=O)OC	218
+C1CN(CCC1N(C2CC2)C(c3cnc(-c4ocnc4)cc3)=O)c5nc(no5)C(C)C	219
+C1CC(CCN1C(OCC)=O)N2CCC3(CC2)CC=C(C(N(C)C)=O)c4c3cccc4	220
+FC(F)(F)c1cc(ccc1)N2CCN(CCC2)C3CCC(CC3)c4c5ccc(cc5[nH]c4)F	220
+FC(F)(F)c1cc(ccc1)N2CCN(CCC2)C3CCC(CC3)c4c5ccc(cc5[nH]c4)F	221
+CC(C)(C)OC(=O)N1CCC(CC1)N2CCC(CC2)N3C4CCCCC4OCC3=O	222
+C1CC(CCN1c2ccc([N+](=O)[O-])c(OC)c2)N3CC(CCC3)O	223
+C1CCN(C1)C2CCN(c3ccc(Br)cn3)C2	223
+C1CC(CCC1N2CCc3c(ccnc3)C2)N(Cc4ccccc4)C	224
+C1CN(CCC1N2CCCCC2)c3ccc(cc3)CN4CCOCC4	224
+C1CN(CCO1)C(=O)Cc2cc(ccc2[N+](=O)[O-])C	225
+C1CCCN1C(=O)Cc2nc(oc2)-c3ccc(cc3)OCCCCl	226
+C1CCCCCN1C(=O)CC2CCCc3n(ncc23)-c4ccccc4	227
+C1CCCN1C(=O)Cc2ccc([N+](=O)[O-])c(c2)OC	227
+CC(C)(C(N1CCCC1)=O)Sc2cc3sc(N)nc3cc2	227
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(=O)N2CCOCC2)n1	227
+C1C(CC1N)(c2ncccc2)C#N	228
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N	228
+CC(C)(C)OC(=O)N1CC(N)CC1C(OC(C)(C)C)=O	228
+C1C(CC1N)(c2ncccc2)C#N	229
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N	229
+CC(C)(C)OC(=O)N1CC(N)CC1C(OC(C)(C)C)=O	229
+C1(CCCN(C(=O)OCC)CC1)N	230
+C1CC(CC(C1)N)c2ccc(OCOC)cc2OCOC	231
+FC(F)(F)c1c(nc(cc1)Oc2cc(ccc2)C=C3CCC(CC3)N)C	232
+Clc1ccc(N2CCC(C2)C(C)N)c([N+]([O-])=O)c1	233
+c1cc(ccc1)CN2CC(C(CC2)C(C)N)c3ccc(cc3)Cl	234
+C1CN(CCC1N)Cc2ccc(cc2)C	235
+C1CC(c2cccc(C)c12)N	236
+NC(CCC=C)c1ccccc1OC	236
+c1(c(C(CCC2CCN(CCSc3c(ccc(F)c3)F)CC2CC(=O)OC)N)c4cc(ccc4nc1)OC)F	237
+c1(cc(F)c(cc1)F)C(N)C(C)O	238
+c1cc(ccc1NS(=O)(=O)C)C(N)C	238
+c1ccccc1-c2nn(CC(=O)N)c3C(=O)N(c4ccc(cc4)Cl)C(=Nc23)c5ccc(cc5)C(C)C	239
+C1C(CC(N)=O)CC(C)CC1	240
+CC(C)(C)OC(=O)NC(CC(C)C)C(N1C(CC)CCC1C(N)=O)=O	240
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC(=O)N	240
+CC(C)(C)OC(N1C(C(N2C(C#N)CCC2)=O)C3CC1C(OCC(N)=O)C3)=O	240
+CC(C)(C)OC(NCc1c(c2c(ccc(OCCCCC(=O)N)c2)nc1CC(C)C)-c3ccc(cc3)C)=O	240
+FC(F)(F)C1(c2ccccc2-c3c(cc(cc13)OCC(C)O)-c4cn(C(C)(C)C(N)=O)nc4)O	240
+C12CC(CC(CCC1)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O)C(N)=O	241
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cn2)Nc3nc(c(cn3)C)CCc4ccccc4CC(=O)N	241
+CC(C)(C)OC(=O)Nc1cc(CCC(=O)N)ccn1	241
+CC(C)(C)OC(N1CC(C(=O)N)CC(N(C(c2n(c3c(cccc3)n2)CCCCOC)=O)CC(C)C)C1)=O	241
+CC(C)(CCC)C(N)=O	242
+c1cc(ccc1CC(CCC(N)=O)NC(=O)CCCCCCc2ccccc2)OCc3ccccc3	243
+[N+]([O-])(=O)c1ccccc1Oc2cc(OC(C(N)=O)C)ccc2	244
+c1cc(ccc1Cn2c3ccc(OC)cc3c(CC(C)CC(N)=O)c2C)Br	244
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(cc([nH]3)C=4SC(CN=4)CC(=O)N)c2	244
+c1cc(ccc1)COc2cc(ccc2Cc3ccc(cc3)CC)CC(=O)N	245
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=S)N	246
+CC(C)(C)OC(=O)Nc1nccc(CCC(=S)N)c1	247
+c1cc(ccc1Cn2c(c(CC(C)CC(=S)N)c3c2ccc(OC)c3)C)Br	248
+CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O	249
+CC(C)(C)OC(N1CCC(CC1)(C)N2CCC(CC2)NC3C(CC#N)CCCC3)=O	250
+CC(C)(C)OC(N1CCC(CC1)(C)N2CCC(CC2)NC3C(CC#N)CCCC3)=O	251
+C1CC(CCC1C(NCc2c(O)nc(nn2)N)=O)C(=O)OC	252
+c1ccccc1CCCC(C(C)O)C(NC(c2c(nc(nn2)Cc3c4ccccc4ccc3)O)C)=O	253
+C1CN2CCC1C(NC(Cc3cc4ccccc4n3C)=O)C2	254
+C1CC(CCC1C(NCC)=O)CC(=O)OCC	255
+c1cc(ccc1C#N)C(NNC(=O)C(Nc2cc(c(C#N)cc2)Cl)C(C)O)=O	256
+c1cc(ccc1C#N)C(=O)NNC(=O)C(C(O)C)Nc2ccc(c3ccccc23)C#N	257
+FC(F)(F)c1c(NC(NNC(=O)CC2CN(C(=O)C3CC3)CC2)=O)ccc(Br)c1	258
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3	259
+CC(C)(C)OC(NCC1(CC12CCCCC2)C(NO)=N)=O	259
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3	260
+CC1(C)c2c(C(C1)NS(=O)(=O)C)cccc2	261
+C1CC(CCN1c2snc(n2)C)Nc3nn4cccc(-c5cccc(N(C)C)c5)c4n3	262
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(cc(C#N)cc2)Oc3c(Br)cccc3	263
+C1CCC(C1)Oc2cc(CC(=O)Nc3c(O)c([N+](=O)[O-])ccc3)ccc2OC	264
+CC(Nc1c(Cl)nn(-c2cccnc2)c1)=O	265
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1Cc2c(C)[nH]c3c2cccc3	266
+CC(C)(C)OC(N1CC(CC1C(=O)Nc2ccc(cc2)N3C(=O)COCC3)N=[N+]=[N-])=O	266
+C1C(CC1N=[N+]=[N-])(c2ncccc2)C#N	267
+C1COCCC1C(N=[N+]=[N-])C	267
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1C(=O)OC	267
+CC(C)(C)OC(C1N(C(=O)OC(C)(C)C)CC(C1)N=[N+]=[N-])=O	267
+c1cc(ccc1Cl)C2(O)CN(Cc3cc(ccc3)OC)CC2	268
+FC(F)(F)C(C(C)(C)C(c1ccccc1)c2ccc3c(cnn3-c4ccc(cc4)F)c2)O	269
+FC(F)(F)C(CC1(C)c2cc(SC)ccc2OCC1)O	269
+C1CC(CCC1CCCCC)c2cc(c(cc2)C3CCC(CC3)C4CCC(CC4)O)F	270
+C1CC(CCC1O)(C)O	270
+CC(C)(C)OC(=O)NCCCCCC(C)O	271
+CC(C)(C)OC(NC(CCc1ccc(cc1)Br)C(C)O)=O	271
+FC(F)(F)CC(C(NS(=O)(=O)c1sc(cc1)Cl)C(O)C)C	271
+CC(C)(C)OC(=O)N1CCC(C(O)C)C1	272
+CC(C)(C)OC(=O)N1CCC(C(O)C)C1	273
+CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O	274
+CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O	275
+CC1(C)C(n2cncc2C(O)C)c3c(C(=O)O1)cccc3	276
+C1(c2cc(OC)c(cc2)OC)CC(CCC1[N+](=O)[O-])OC(=O)C	277
+c1ccccc1COc2nc(C)cc(C)c2CN3CCc4c(cc(C(OC)CC)c(Cl)c4C3=O)Cl	278
+C1CN(CCC1OC2=CC(=O)N(C=C2)c3c(cc(S(=O)(=O)C)cc3)C)c4ncc(cn4)CCC	279
+C1CN(CCC1OC2=CC(=O)N(C=C2)c3c(cc(S(=O)(=O)C)cc3)C)c4ncc(cn4)CCC	280
+CC(C)(C)OC(=O)NC1CCC(OS(=O)(=O)C)C1	281
+O=S(=O)(OC(C1C(C)(C)C1C(OCC)=O)C(Cl)Cl)c2ccc(cc2)C	282
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3ccc(cc3)CC(=O)OC)ccc2	283
+CC(C)N1CC(Oc2ccc(Cl)cc2Br)CC1	284
+c1nc(ncc1CCC)N2CCC(CC2)Oc3ccnc(O)c3	285
+FC(F)(F)c1cc(C2CCN(CC2)C(=O)OC(C)(C)C)c(cc1)Sc3ccc(cc3)Cl	286
+O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3	286
+C1CC(CCN1C)C(Cl)c2ccc(cc2)Cl	287
+C1CC(CCN1C)C(c2ccc(cc2)Cl)N3CCNCC3	288
+C1CC(CCN1C)C(O)c2ccc(cc2)Cl	289
+c1ccccc1C(C2CC(N(C2)C(c3ccccc3)C)=O)O	290
+c1cc(c2c(c1)C(=O)C(C)C2)-c3ccccn3	291
+C1CC(CCC1CCCCC)c2cccc(F)c2F	292
+C1CC(CCC1c2c(F)cc(cc2)Br)CCC	292
+O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3	292
+C1CC(CCN1C)C(Cl)c2ccc(cc2)Cl	293
+C1CC(CCN1C)C(c2ccc(cc2)Cl)N3CCNCC3	294
+C1CC(CCN1C)C(c2ccc(cc2)Cl)N3CCNCC3	295
+c1(C(CCCC)N)cc(c(OC)cc1)OC	296
+C1CC(CCN1C)c2c3c(cc4c(N(CC4)C(C)=O)c3)[nH]c2	297
+c1cc(ccc1)-c2c(c3c([nH]2)cccc3)C4CCNCC4	297
+Brc1ncc(c(C(=O)C)c1)F	298
+FC(F)(F)c1cc(N2C(C)=C(C(c3ccc(cc3[N+]([O-])=O)C#N)NC2=O)C#N)ccc1	299
+Clc1cc(c(C2CC(=O)NC(=C2C(Nc3cc(Cl)c4n[nH]cc4c3)=O)C)cc1)F	300
+C1CN(CCO1)CC=C(C[N+](=O)[O-])C	301
+CC(C)CC(=CCCC(CC)=CCOc1cc2c(OCO2)cc1)C	302
+C1CN(CCO1)S(=O)(=O)c2cc(ccc2)C(NN=C(C)c3c(ccc(Cl)c3)Cl)=O	303
+c1ccccc1C(C)=NNC(c2c(c(ccc2)[N+]([O-])=O)O)=O	304
+CC(C)(C)c1ccc(cc1)-c2n(C)nc(C(=NNC(c3ccc(C(=O)OC)c(c3)O)=O)C)c2O	305
+c1ccccc1C(F)(F)C(NO)=N	306
+FC(F)(F)Oc1ccc(cc1)C(=NO)COC	307
+C(C(=NO)c1c(F)cnc2ccc(OC)cc12)CC3CCN(CCSc4c(ccc(F)c4)F)CC3CC(=O)OC	308
+FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C	309
+FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C	310
+CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br	311
+CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br	312
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOC(C(C(=O)C)=Cc4cc([N+](=O)[O-])ccc4)=O	313
+c1cc(ccc1C(c2ccc(cc2)F)=C(C=CC(O)CC(=O)CC(OCC)=O)c3n(nnn3)C)F	314
+c1cc(ccc1C(c2ccc(cc2)F)=C(C=CC(O)CC(=O)CC(OCC)=O)c3n(nnn3)C)F	315
+C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4	316
+C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4	317
+CC(C)(CF)C(COc1ccc(Cl)cc1Cl)=O	318
+c1cc(ccc1OCC(C(CF)(CF)C)=O)Cl	318
+C(CN1C(=O)CCCC1C=CC(=O)CCCCC)#CCCCC(OC)=O	319
+C1COCCC1CC(c2cc(n(C)n2)SC)C(C=C)=O	320
+C1CC(C(C(=O)C=[N+]=[N-])CC1)C(=O)OC	321
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O	322
+CC(C)CCCC(CC(C)=O)C	323
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O	323
+CC(C)(C)c1c(O)c(c(c(C)c1)CC(=O)Cl)C	324
+c1cc(ccc1COC(CC(=O)Cl)CCCCCCCCCCC)OC	325
+c1cc(ccc1C=2C(N(C3(CCCCC3)N=2)CC(=O)Cl)=O)C	326
+c1cc(OC)cc(OC)c1C(CCCCC)CC(Cl)=O	327
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(n2)CCC(Cl)=O)Cl)OC	328
+c1cc(Cl)c(c(Cl)c1OC(C)C(Cl)=O)C	329
+c1cc(ccc1CCC)OC(C)C(Cl)=O	329
+FC(F)(F)c1cc(C(C(c2cc(F)ncc2)N(C(=O)C)C3CCCC3)O)ccc1	330
+c1cc(ccc1C2(OCC(C)(C)CO2)CSCC(=O)N3C(c4ccccc4)COC3=O)C	331
+c1cc(ccc1-c2ccccc2)C(N(C(=O)CN3C(=O)Oc4c3cc(c(C)c4)OC)C)CN5CCOCC5	332
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(O)cc4c(C(=O)C)c3	333
+CC(C)(C)OC(C1N(C(=O)C2N(C(C(NC(CSCCCCCCC)C(=O)OCC)C)=O)CCC2)CCC1)=O	334
+CC(C)(C)OC(Nc1onc(C(C)(C)CN(C)C(C)=O)c1)=O	335
+CC(C)(C)OC(Nc1onc(C(C)(C)CN(C)C(C)=O)c1)=O	336
+OC1C(O)CN(C1)C(=O)CNC(=O)c2[nH]c3ccc(Cl)cc3c2	337
+C1CC(CCN1C(C)=O)CC(NC(=O)C2CCCCC2NC(c3n(C)c4ccccc4c3)=O)C#N	338
+O=S(=O)(c1nc2CCN(C(C)=O)Cc2c(n1)-c3c(Cl)cc(Cl)cc3)C	338
+c1cc(ccc1OCCC2CCCCN2C(C)=O)-c3[nH]c4cc(ccc4n3)C(N)=O	338
+C1CC(CCO1)Oc2c3[nH]c(C4=NCC(CC(N5CCS(=O)(=O)CC5)=O)S4)cc3cc(c2)Oc6ccc(S(=O)(=O)C)nc6	339
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(N2CCN(CC2)C(OC(C)(C)C)=O)=O	339
+CC(C)(C)OC(=O)NCc1ncc(CC(N2CCc3ccccc3C2)=O)c4c1cc(OC)c(OC)c4	339
+CC(C)(C)OC(N1CC(C1)N2CCN(CC2)C(CNc3c(OC)cc(Cl)c(I)c3)=O)=O	339
+CC(C)(C)C(C(=O)N1C2C(c3c4ccc(cc4[nH]c3)F)CN(C2CC1)C5CCCC5)NC(OC(C)(C)C)=O	340
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C	340
+CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)C(CN2C(c3c(cccc3)S2)=O)=O	340
+c1ccccc1C2(O)CC(CC#N)CC3CN(C(=O)Cc4c(OC)cccc4)CC23	340
+c1ccccc1OCC(O)C2N(CCC2)C(C3N(CCC3)C(CCCCCCC)=O)=O	340
+C1CC(CCN1C(CCc2ccc(c(Cl)c2)OC)=O)COc3ccc(-c4ccc(cc4)S(=O)(=O)C)cn3	341
+CC(C)(C)OC(=O)NCC1CCCCN1C(CCCCCCCCCCCC)=O	342
+C1CC2(CCN1C(=O)c3ccc(cc3)-c4cn5c(-c6ccc(cc6)C#N)cnc5cc4)N(CCCC2)C(=O)C	343
+C1CN(CCC1Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2)C(C)=O	343
+C1N(CC1Nc2cncc(N3C(c4c(cc(cc4)Cl)C3(C)C)=O)c2)C(C)=O	343
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(C4CCN(CC4)C(C(CO)C)=O)n3)n2)o1	344
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(n3)C#Cc4c5c(ccc4)cccc5)n1)C	344
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(n(CC5CCCN5C(=O)CC#N)n3)ncnc4N)F	344
+c1cc(ccc1-c2nn(C3CCCN(C(CC#N)=O)C3)c4c2c(ncn4)N)Oc5c(cccc5)F	344
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CN(CCC4)C(CC#N)=O)Oc5c(ccc(F)c5)F	344
+CC(C)(C)OC(=O)NC1CN(CCC1N2C(c3c(cccc3)C2=O)=O)C(=O)C	345
+CC(C)(C)NC(=O)C1(CCN(CC1)C(C2C(CC(=C)C2)c3ccc(F)cc3F)=O)C4CCCCC4	346
+CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C)C2CCC(CC2)N(C)C(=O)C)=O	347
+C(CC(NCCCN1CCCC1=O)=O)C(N2CCCC2CO)=O	348
+Clc1cc(cc(Cl)c1C(C(N2CCCC2)=O)c3ccc(cc3)Cl)N4N=CC(NC4=O)=O	349
+c1cc(ccc1OC(C(N(C(C)C)Cc2nc(-c3cccnc3)no2)=O)C)CCC	349
+C1CCN1C(=O)Cc2ccc(cc2)OCCC3C(C4CCN(CC4)c5onc(C(C)C)n5)C3	350
+C1COCCN1C(=O)C2N(C(CN(C2)S(=O)(=O)c3ccc4c([nH]cc4Cl)c3)=O)CC5CCN(CC5)C=6C=CC(=O)N(C)N=6	350
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C	350
+C1CN(CCN1C(C(NC(N(CCC2CCCCC2)CCSC(=O)C)=O)C)=O)C	351
+C1CN(CCN1C(C2CCN(CC2)c3c(cncc3F)NC(c4c5n(cc(F)cn5)nc4N)=O)=O)C6COC6	351
+c1(F)cc(cc(F)c1CC(=O)N2CCC2)OCCC3C(C4CCN(CC4)c5ncc(cn5)OCC)C3	351
+C1CC2CCC1N2C(C(C)(C)c3ccc4[nH]c(-c5cc(C)cc(C)c5)c(C(C)CNC(=O)OC(C)(C)C)c4c3)=O	352
+C1COCCN1C(=O)CN2N=Nc3c(C(=O)N)ncn3C2=O	352
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)C(OCC)=O)=O)c4c(cccc4)Br	352
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C4=NCC(S4)CC(=O)N5CCS(CC5)=O)[nH]3)c2)CC)cn1	352
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(=O)N6CC(C6)C(=O)OC)CCC3)n2	352
+c1ccccc1OCC(O)C2N(CCC2)C(C3N(CCC3)C(CCCCCCC)=O)=O	353
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)N(OC)C	354
+CC(C)(C)OC(=O)N1CCC(CC1)CN(c2cccc(Cl)c2)C(CC)=O	355
+CC(C)(C)OC(N1CCc2c(c3N(CCCc3cc2CC1)C(=O)C(C)C)Cl)=O	356
+c1cc(ccc1CC(C)NC(=O)C)Br	357
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O	358
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O	359
+CC(C)(C)C(NC(Nc1ncc(Oc2ccnc(NC(=O)N3CCN(CC3)Cc4ccccc4)c2)cc1)=O)=O	360
+C1C(CC(NCC(N)=O)=O)CC(C)CC1	361
+CC(C)(C)OC(N1CCCCC1C(=O)NC(Cc2cnc(cc2)Br)C(=O)N)=O	362
+CC(C)(C)OC(NC(C1CCCCC1)C(=O)NC(C(=O)N)Cc2cnccc2)=O	362
+CN(C)C(=O)C(Cc1ccc(cc1)-c2ccccc2)NC(=O)C3(CCCC3)CC(=C)Cl	363
+O=S(=O)(C)CCC(Cc1cccc(C#N)c1)(C(=O)NCC(NCc2sc(C#N)cc2)=O)NC(=O)OC	363
+c1cccc2-c3ccccc3C(c12)COC(=O)NCC(=O)NC(Cc4ccccc4)C(NCC(=O)O)=O	364
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C(=O)NC(CCCNC(=O)N)C(=O)O	365
+CC(C)(C)OC(C(C1C(CC)CCN1)N2CCCC2C(=O)NC(CCSC)C(=O)OC)=O	366
+CC(C)CC(C(=O)NC(C(OC)=O)CCC(NCCCN=[N+]=[N-])=O)NC(C(NC(=O)OCc1ccccc1)CC#C)=O	366
+FC(F)(F)c1ccc(cc1)-c2cc(cc(CNC(CN(S(=O)(=O)c3ccc(cc3)F)C)=O)c2)F	367
+c1cc(ccc1CN2CCN(CC2)c3ncccn3)CNC(CC)=O	368
+CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O	369
+C1CC(CCN1C2CC3(C2)CN(C(=O)OCC)CC3)C(=O)NC4(CCC4)C	370
+CC(C)CC(c1csc(n1)-c2ccccc2)C(=O)NCC#N	370
+c1cc(ccc1CNC(C2(CC2)NC(=O)c3cncnc3)=O)Oc4c(cc(cc4)Br)Cl	370
+C1CN(CCC1OC(=O)NC2(CCCCC2)C(=O)NC(C(C(NC3CCCCNC3=O)=O)O)C(C)C)C(OC)=O	371
+CC(C)(C)OC(=O)NCC(N1CCC(CC1)(C(=O)NCc2c(cccn2)C)CO)=O	372
+c1cc(ccc1F)C2CC2NC(CCCC(NC(=O)c3ccc(cc3)F)C(=O)N4CCN(CC4)C)=O	372
+c1cccc2[nH]cc(CNC(C3N(C(=O)C(C)N4Cc5ccccc5C4=O)CC(O)C3)=O)c12	372
+C1CN(CCC1OC(=O)NC2(CCCCC2)C(=O)NC(C(C(NC3CCCCNC3=O)=O)O)C(C)C)C(OC)=O	373
+C1N(c2nc3c(ncnc3cc2)N)CCCC1NC(=O)CCOC	373
+CC(C)CC(NC(=O)c1cc2ccccc2s1)C(NCCCC(NS(=O)(=O)c3c(cc(cc3)F)Cl)CO)=O	373
+c1cc(ccc1C(NC2(CC2)C(NC3c4n(-c5c(cccc5)CC3)ccn4)=O)=O)F	374
+CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O	375
+c1cc(ccc1)COC(=O)CC2(CCCC2)C(NC(c3nnn[nH]3)Cc4ccc(cc4)-c5cc(Cl)ccc5)=O	376
+c1cc(ccc1C#N)CCNC(Cn2cnc3N(C(N(C)C(c23)=O)=O)C)=O	376
+c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2	376
+C1CN(CCC1Nc2ccc(N3CC(CNC(=O)C)OC3=O)cc2F)C(=O)OCc4ccccc4	377
+C1CC(CCC1)NC(C2(CC2)c3c(F)cc(cc3)Br)=O	378
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)-c3ccccc3)C(NCC4CCCCC4)=O	379
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)C(C)C(NC3CC3)=O	379
+C(C)C(CC)CNC(=O)CN1C=CC=C(NC(=O)OCc2ccccc2)C1=O	380
+CC(C)(C)OC(NCCNC(C(OCCCCC=CCC=CCC=CCC=CCC=CCC)CC)=O)=O	380
+CC(C)(C)OC(NCCOCCOCCNC(=O)COc1c(OC)cc(C=CC(=O)OC)cc1)=O	380
+CC(C)(C)NC(=O)C(CC)Oc1ccc2ncc(Br)cc2c1	381
+O=S(=O)(NCCC(=O)NC(c1cncn1C)(C)c2ccc(c(F)c2)C#N)c3cc(OC)ccc3	381
+c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2	381
+c1cc(ccc1F)-c2oc(C)c(CC(NCC3CN(C(c4cc(Cl)c(Cl)cc4)=O)CCO3)=O)n2	381
+n1c(n(Cc2c(F)cccc2Cl)c3C(N(C(=O)N(c13)C)C)=O)N4CCCC(C(NCCO)=O)C4	381
+c1ccccc1-n2nc(cc2OCC(=O)N3C(CCC3)C(NCCF)=O)C(OCC)=O	382
+C1COCCN1C=2c3ccccc3C(N(N=2)NC(=O)Cc4c(OC)cccc4)=O	383
+C1CCCCC1CNC(=O)NNC(CCN2CCN(CC2)c3ccccc3OC)=O	384
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)NC(=O)C4C(C(=O)NO)CC5(CC5)CN4C	385
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C	386
+c1cc(ccc1)C=2C=CN(CCC(C)(S(=O)(=O)C)C(NO)=O)C(=O)C=2C	386
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C	387
+c1cc(ccc1)C=2C=CN(CCC(C)(S(=O)(=O)C)C(NO)=O)C(=O)C=2C	387
+C1CC(CCC1)CCCC(CC(NO)=O)c2nc(no2)C(=O)N3CC(C3)N(C)C	388
+C1CC1C#Cc2cc(no2)CCC(S(=O)(=O)C)(C)C(NOC3CCCCO3)=O	389
+O=S(=O)(C(CCc1ccc(cc1)Br)(C(NOC2CCCCO2)=O)C)C	389
+c1cc(ccc1)C=2C=CN(C(=O)C=2C)CCC(C)(C(NOC3CCCCO3)=O)S(=O)(=O)C	389
+CC(C)(C)OC(=O)NC1(CC1CC)C(NS(=O)(=O)OC2(CC2)C)=O	390
+c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl	391
+c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F	392
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3	393
+C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C	393
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3	394
+C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C	394
+n1c(N)c(c(nc1-n2nc(Sc3ccccc3F)c4c2cccc4)N)NC(C)=O	395
+C1CCCC1CC(C(=O)Nc2nn(cc2)CC(C)(C)O)N3C(C=C(C=N3)Oc4c(C)ccc(C)c4C)=O	396
+C1CCCC1CC(C(Nc2ncc(Br)cc2)=O)c3ccc(c(F)c3)-n4c(nnn4)C	396
+C1CCCC1CC(C(=O)Nc2nn(cc2)CC(C)(C)O)N3C(C=C(C=N3)Oc4c(C)ccc(C)c4C)=O	397
+O=S(=O)(C)c1c(C)cc(cc1)C(C(Nc2nn(cc2)CC(C)(C)O)=O)CC3CC(CC3)=O	398
+FC(F)(F)C1N(c2ncc(cn2)-c3cccc(NC(C(C)n4cnc5N(C)C(=O)N(C(=O)c45)C)=O)n3)CCC1	399
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(c3)-c4cccc(C(=O)NC(C)(C)C(Nc5noc(C)c5)=O)c4)o2	399
+c1cc(ccc1)C(c2cc3[nH]nc(-c4ccccc4)c3cc2)C(C)(C)C(=O)Nc5sccn5	400
+CC(C)(C)OC(NC(C(Nc1ncccc1C(C2CCCCC2)=O)=O)c3sccc3)=O	401
+CCN(CC)C(c1cnc(c(c1)NC(=O)Cc2ccc(cc2)OCC)NCC=C)=O	402
+CC(C)(C)OC(=O)NC(C)(C(=O)Nc1ccc(nc1)Oc2cccc3OCC(C)Cc23)CC	403
+FC(F)(F)c1cc(ccc1)S(=O)(=O)CCSc2c(NC(Cc3c(cccc3)OC)=O)cccn2	403
+CC(C)(C)c1cc(n(n1)-c2ccc(cc2)NC(CCOC)=O)NC(=O)Nc3ccc(cc3)Oc4ccncc4	404
+CC(C)(CC)c1ccc(OC(C(=O)Nc2cc(O)c(cc2)NC(=O)C(F)(F)C(Cl)F)CC)c(c1)C(C)(C)CC	404
+CC(C)(CC)c1ccc(OCC(=O)Nc2ccc(cc2)Nc3cc(ccc3)O)c(C(C)(C)CC)c1	404
+O(CC)C(=O)C(C(OCC)=O)CC(c1ccc(cc1)-c2ccc(cc2)NC(CCCC)=O)=O	404
+c1(c[nH]c2c1cc(cc2)NC(CCCCC)=O)Cc3c(cc(cc3)C(=O)OC)OC	404
+c12c(-c3c(c4c(cccc4)c(n3)O)C1)ccc(NC(=O)CCl)c2	404
+c1cc(ccc1N2CCc3cc(ccc3C2Cc4ccc(cc4)OCc5ccccc5)OC)NC(=O)C	404
+c1cc(ccc1NC(=O)CCCl)Nc2nc(c(cn2)Br)Nc3ccccc3	404
+c1cc(ccc1NC(N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2)=O)NC(C)=O	404
+n1cc(-c2cc(NC(CC)=O)ccc2)nc3ccccc13	404
+O=S(=O)(Nc1scnn1)c2ccc(cc2)NC(=O)CCCCCCCCC	405
+c1cc(ccc1Cl)CN2C(C(=NN(c3cccc(NC(=O)COC)c3)C2=O)OC)=O	405
+CC(C)(C)C(=O)OCn1nc(N2C(C(C(O)C(Nc3ccc(cc3C(N)=O)I)=O)OCC2)=O)cc1	406
+c1ccccc1CCC(C(NC(CC(C)C)C(Nc2ccccc2)=O)=O)CSC(C)=O	406
+c12c3c(C(N(C(=O)c3cc(C(O)=O)c1)CCCC(O)=O)=O)cc(NC(=O)C)c2	407
+c1c(-n2ccnc2)cccc1NC(C)=O	407
+c1c(C)c(c(cc1-c2nc3ccc(cc3c(O)n2)NC(C)=O)C)O	407
+c1cc(ccc1Br)CN(c2ccc(cc2)NC(=O)C)n3cnnc3	407
+c1cc(ccc1C=2c3c(CC(NN=2)=O)cc4OCOc4c3)NC(C)=O	407
+c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl	407
+c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F	407
+FC(F)(F)C(NC(=O)C(N1CCC(C1(C)C)C(Nc2cc(c(F)c(c2)F)Cl)=O)=O)C	408
+c1cc(ccc1)NC(=O)C2CCN(CC2)Cc3ccc(cc3)-c4nc5c(cc4-c6ccccc6)cnc7n5nc(C)c7	408
+CC(C)(C)OC(=O)N1CC(OC)CC1C(=O)Nc2ccc(cc2F)-n3ccc(C)n3	409
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(Nc3c(cccc3)N)=O	409
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(Nc2ccccc2)=O)CNC(C)=O	409
+CC(C)(C)OC(N1CC(C(Nc2ccc(cc2)Cl)=O)CC(N=[N+]=[N-])C1)=O	409
+CC(C)[Si](C(C)C)(C(C)C)OCC(c1ccccc1)C(Nc2cc3c(cncc3)cc2)=O	409
+c1cc(N)c(NC(CCCCCCCNC(=O)c2c(C)[nH]c(C=NN=C3c4c(ccc(F)c4)NC3=O)c2C)=O)cc1	409
+CC(C)(C)OC(NCCC(Nc1ccc2c(n(S(=O)(=O)c3c4c(cccc4)ccc3)nc2)c1)=O)=O	410
+FC(F)(F)C(O)(C(Nc1ccc(c(OC)c1)S(=O)(=O)c2ccncc2)=O)C	410
+CC(C)C(=O)Nc1cccc(Oc2cc(F)cc(Nc3c(F)cc(cc3)I)c2C(N)=O)c1	411
+c1cc(ccc1OCCCCCCCCCCCCCC)CC(=O)Nc2cccc(CO)c2	412
+c12NC(Cc1ccc(c2)-c3cc(OCC)ccc3)=O	413
+C1OC(CCC1)OCC2CCc3cc(NC(C)=O)ccc3O2	414
+O=S1(=O)CCCN1c2ccc(cc2)NC(=O)C(CCC)Oc3cccc(-c4noc(n4)C)c3	415
+C1CC(CCO1)CC(C(=O)N(C)OC)c2nn(C)c(SC)c2	416
+C1CN(CCC1)CCCCCCCCCC(CBr)OC(=O)C	417
+c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3N2C(C3(Br)C(c4cc5COCCn5n4)OC(C)=O)=O)=O	418
+c1cc(ccc1CN(Cc2n(ccn2)C)Cc3[nH]ccn3)CN(CCC(=O)OCC)CCCCN(CCC)CCC	419
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(Cc4ccc(cc4)C)c(cc3c2)COC(C)=O	420
+FC(F)(F)C(Cl)=CC1C(C)(C)C1C(=O)OCc2c(c(F)nc(c2Cl)F)Cl	421
+Brc1cccc(Br)c1COC(C)=O	422
+C(OC(=O)C)c1c(Br)c(C)cc(OC(=O)C)c1	422
+CC(C)(O)c1ccc2c(CCN(C2=O)c3cccc(Br)c3COC(=O)C)c1	423
+CC(C)(C)OC(N1CCC2(CC1)c3n(c(cc3)C#N)-c4c(cc(COC(C)=O)cc4)O2)=O	424
+c1(Br)cc(cc(Br)c1COC(C)=O)F	425
+Cc1cc(cc(C)c1O)CC(OC)=O	426
+Cc1nc(N)nc(NCCCCC)c1Cc2ccc(cc2F)CC(OC)=O	427
+C(CCCCCCC(=O)OCCCCCC)C=CCCCCCCCC	428
+c1cc(ccc1)COC(COc2cc(C)c(c(c2)C)S(=O)(=O)Cl)=O	428
+c1cc(ccc1C(N2CC(=NOC)CC2C(=O)OC3CCCC3)=O)-c4ccccc4C	429
+C1CC(CCN1C(c2ccccc2)C(OC3CN4CCC3CC4)=O)C(N)=O	430
+C1CC(=O)N(C1=O)OC(CCCOc2cc3c(C(CCCN(C)C)c4c(cccc4)CC3)cc2)=O	431
+CC(C)C(c1cc(C)ccc1OC)CCC(=O)O	432
+C1N(CC1SC(=O)C)c2scc(C(=O)NC3CN(CC3)C(=O)OCc4ccc(cc4)[N+]([O-])=O)n2	433
+CC(C)(C)OC(NCC(SC(C)=O)C)=O	434
+c1cc(ccc1C(Cc2c(ccc(-c3sccc3)c2)OC)=O)F	435
+CC(C)(C)OC(=O)N1CC(C(c2cc(F)c(Cl)cc2)=O)CC1	436
+c1cc(ccc1CC(=O)c2ccc(cc2)F)SC	437
+CCC(c1cccnc1F)=O	438
+n1ccc2cccc(c2c1)C(=O)C	439
+C1CCCCN1c2ccc(cc2)C3(OC)OC3(C)C	440
+O=S(=O)(c1cc2C(C(C)(C)C(Nc2cc1)c3cc(ccc3)[N+](=O)[O-])O)C	441
+CC1(C)c2ccc(NC(=O)C)cc2NC(C1)=O	442
+O=S(=O)(c1ccc2NC(C(C)(C)Cc2c1)c3cccc([N+](=O)[O-])c3)C	443
+O=S(=O)(c1ccc2NC(C(C)(C)Cc2c1)c3cccc([N+](=O)[O-])c3)C	444
+c1cc(ccn1)-c2cc3c(C(NC(CCC)(CCC)N3)=O)s2	445
+COc1cc2CC3(C(=CC(=O)CC3)c2cc1)C	446
+c1c(c(c2c(c1)C3=CC(=O)CCC3(CCCC)C2)C)OC	446
+CC1(C)CC2(CC1)CNC(=O)C2	447
+O=S(=O)(c1ccc(c(Cl)c1C=2CC(ON=2)C)C(=O)OC)C	448
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=4CC(ON=4)C(OC)OC	449
+c1ccccc1C(c2ccccc2)C3OC3	450
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(C3=C(N(CC(C)(C)O)N(c4ccccc4)C3=O)C)=O	451
+c1ccccc1N2N(C(=C(C(Nc3cc(F)c(O)cc3Cl)=O)C2=O)C)C	452
+c1cc(ccc1C(=O)C)N2C(CC)=NC(CCC)=C(Cc3ccc(cc3)-c4ccccc4C#N)C2=O	453
+CC(C)(C)[Si](C)(C)OCC1=CC([N+](=O)C=C1)=C=[N-]	454
+c1c(F)c(ccc1F)C(Cn2ncnc2)(C(C)C=3C=C[N+](=O)C(C=3)=C=[N-])O	455
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CN3C(=O)N(N=C3CCCC)c4c(ccc(C(=O)OC)c4)Cl)cccc1	456
+FC(F)(F)c1cc(ccc1N2C(=NNC2=O)CC3CCN(C3)C(=O)C4CC4)Br	457
+FC(F)(F)c1cc(ccc1N2C(=NNC2=O)CC3CCN(C3)C(=O)C4CC4)Br	458
+COc1ccc(CCBr)c([N+]([O-])=O)c1	459
+C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O	460
+C1CC(CCC1CCCCC)CBr	460
+C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O	461
+C1CC(CC1CBr)CC	462
+n1c(c2c(nc1NCc3ccc(c(Cl)c3)Cl)ncn2CCCCBr)O	463
+C(CCCCCCCCCCCCBr)CCCCOC(C)=O	464
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCBr	465
+O=S1(=O)CCC(CC1)CCBr	466
+CC(C)(C)OC(=O)NC(CC#N)Cc1ccccc1	467
+C(OC)(=O)NC1(C(CC#N)C1)c2cc([N+]([O-])=O)ccc2	468
+CC(C)(C)OC(=O)NC(CC#N)Cc1ccccc1	468
+CC(C)(C)OC(=O)NC1C(CCCC1)CC#N	468
+CC(C)(n1ncc(c1)-c2ncnc3c2cc[nH]3)CCC#N	468
+CC1(C)C(Cl)(Cl)C1CC#N	468
+FC(F)(F)C(CCC#N)C	468
+C[Si](C)(C)CCOC(C(CC)c1c(I)cccc1)=O	469
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2ncnc3sc4CCC(CC(=O)N)c4c23)C	470
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2ncnc3sc4CCC(CC(CC)O)c4c23	471
+Clc1cc(Cl)c(N2CCCn3c2nc4c(Cl)ccc(c34)C(CC)O)cc1	472
+C1(c2c[nH]c3c2cccc3)(CCc4cc(ccc14)F)CC	473
+CC(C)C(c1cc(C)ccc1OC)CCC(N)=O	474
+O(c1c2cc(c(OC)cc2ncc1)OC)c3ccc(C)cc3C(=O)CC	475
+CC(C)(C)[Si](C)(C)OC1C(C(c2cnccc2)OC1)CCC(=O)OC	476
+C(CCCCCCCC(OC)=O)CCCCCCCCC(CC)C	477
+C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC	477
+C(CCCCCCCC(OC)=O)CCCCCCCCC(CC)C	478
+C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC	478
+c1cc(ccc1C2CCC(CC2)CCCCCOC)Cl	478
+CC(C)(CC=C)CCO	479
+c1cc(ccc1S(=O)(=O)n2c3ccc(cc3c(C4C(CCO)C4)c2)C#N)C	480
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)CCCO)cnc23	481
+c1ccccc1-c2ccc(cc2)CCCCCO	481
+c1cc(ccc1C2CCC(CC2)C(=O)OC)CCC3CCC(CC3)CCC	482
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)OC	483
+c1cc(ccc1Cl)-c2c(ncc(C(=O)NC3CCCCC3O)c2)CCCOC	484
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(Cl)cnc(CCCO)c4	485
+c1ccc(CCC)cc1OCOC	486
+c1nn(c2c1C(CCCl)CCC2)-c3cc(c(cc3)Cl)Cl	487
+c1ccccc1OCCCCC(CCl)C	488
+c1ccccc1OCCCCC(CCl)C	489
+C(OC(=O)CCOCCCl)C	490
+CC(C)(n1ncc(c1)[N+]([O-])=O)CI	491
+CC(C)(C)OC(Nc1ccc(CCI)nc1)=O	492
+FC(F)(CI)c1ncc(cc1)C	492
+FC(F)(F)CCC(c1cccc(c1)Cl)CI	493
+C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O	494
+C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O	495
+CC(C)(n1ncc(c1)[N+]([O-])=O)CI	495
+ICC(COCCCCCCCC)OCCCCCCCC	495
+CC(C)(C)[Si](C)(C)OC(CCC1CCC(N1CCCc2ccc(cc2)C(=O)OC)=O)Cc3ccc(cc3)F	496
+CC(C)(C)[Si](C)(C)OC(Cc1cc(-c2ccccc2)ccc1)CCC3CCC(N3CCCc4ccc(cc4)C(=O)OC)=O	496
+CC(C)(C)OC(N(C1CCN(CC1)C(OCc2ccccc2)=O)CCNC(OC(C)(C)C)=O)=O	497
+CC(C)(C)OC(N(C1CCN(CC1)Cc2ccccc2)CCP(OCC)(OCC)=O)=O	498
+c1cc(ccc1CN(CC)C(=O)COc2ccc(cc2)CCSc3c(cccc3)C(OC)=O)Cl	499
+c1cc(ccc1CN(CC)C(=O)COc2ccc(cc2)CCSc3c(cccc3)C(OC)=O)Cl	500
+C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O	501
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(Cc2ccc(cc2)Cl)CCN(CC)CC	502
+CC(C)(C)OC(=O)N(CC(c1cccnc1)O)CCCc2ccc(cc2)Br	503
+CC(C)(C)OC(=O)N(CC(c1cccnc1)O)CCCc2ccc(cc2)Br	504
+C1CN(CCN1CCOc2c(cc3c(c(Nc4cc(ccc4)Br)ncn3)c2)OC)CC(=O)OCC	505
+c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O	506
+c1cc(ccc1C)NC(CC2(NC(Nc3cccc(c3)OC)=O)C(N(c4ccccc24)CCN(C)C)=O)=O	507
+C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC	508
+C1CN(CCC1(CN2CCN(CC2)Cc3ccccc3)c4ccccc4)C	509
+C1CN(CCN1c2ccccn2)CC3CCCC4(OCCO4)C3	509
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2c3cccc(c3C=CC2=O)OC)Cc4cc5OCCOc5cc4	510
+O=C1N(c2cc(OC)ccc2C(C)=C1)CCN3CC(C(OCC)=O)N(CC3)CCc4ccc5c(c4)OCCO5	510
+c1cc(ccc1C#N)-c2nnn(Cc3cc(C(=O)Nc4sc5CC(CCc5n4)N(CCOC)C)ccc3)c2	511
+C(CN1CCC2N3c4c(C2C1)cc(-c5c(c(Cl)ccc5)Cl)cc4CCC3)C	512
+C1CC(CCC1N(CCCOc2c(Cl)cc(c(c2)OC)CO)C)OC(C(c3cccs3)(c4cccs4)O)=O	512
+C1CN(CCN1CCCCC23c4c(NC2=O)cccc4CCC3)C5c6c(cccc6)CCCC5	512
+c1cc(ccc1CC=2c3c(cccc3)C(N(N=2)CC4CCCN4CCN5C(c6c(C5=O)cccc6)=O)=O)Cl	512
+C1N(CC1(O)c2cc(cc(F)c2)Cl)CC	513
+C1CCCN1c2c3c4ccccc4n(c3nc(N5CCCC5)n2)CCN6CCCCC6	514
+C1CCN(C1)CC2CCN(CC2)C(CC3C(=O)NC=CN3S(=O)(=O)c4cc(C)c(Cl)cc4C)=O	514
+C1CN(CCN1c2ccc(cc2)OCCOC)CCN3C4N=C5N(N)C=NC(=C5N4N(C)C3=O)c6ccco6	514
+C1CN(CCO1)CCCCn2cnc3nc(NCc4ccc(c(Cl)c4)Cl)nc(O)c23	514
+C1CN(CCO1)CCCc2cc(c3n2ncnc3N)Br	514
+CC(C)(C)OC(NC(Cc1cnccc1)CN2CCC(CC2)C(c3ccc(cc3)F)=O)=O	514
+CC(C)(C)OC(NCC(CN1CCC(CC1)Oc2ccc(cc2)F)NC(OCc3ccccc3)=O)=O	514
+CC(C)(C)n1nc(CCCN2CCN(CC2)c3ccc(cc3)Cl)cc1-c4ccc(cc4)Cl	514
+CN(C)CCCOc1cc(Nc2cc(-c3c(-c4cnccc4)c(C#N)c(SC)s3)c(cc2)C)ccc1	514
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4c(C(C)(C)C)cccc4)O	514
+O=C1N(c2cc(OC)ccc2C(C)=C1)CCN3CC(C(OCC)=O)N(CC3)CCc4ccc5c(c4)OCCO5	515
+c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O	515
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2c3cccc(c3C=CC2=O)OC)Cc4cc5OCCOc5cc4	516
+CC(C)(C)OC(NC(C(NC1C(O)CN(CCC)C(CC1)C)=O)CC2CCCCC2)=O	517
+c1cc(ccc1C2(O)CN(CC2)CCCOc3cc(OC)c(cc3C(=O)OC)Cl)Cl	518
+FC(F)(F)c1ccc(cc1)C23CN(CCCN4C=C(C(=O)NC4=O)c5c(F)nc(C)cc5)CC2C3	519
+C1CCCN(CC1)CCC2CCCc3n(ncc23)-c4ccccc4	520
+C1CN(CCO1)CCc2c(ccc(C)c2)[N+](=O)[O-]	520
+C1COCCN1CC2Cc3ccccc3CN2C(=O)OCc4ccccc4	520
+CC(C)(C)OC(N(CCCCN1CCN(CC1)c2cc(nc(n2)C(C)(C)C)C3CCC3)C)=O	520
+CC(C)(C)[Si](C)(C)OCc1cccc(n1)CCCN2CCOCC2	520
+CC(C)(Sc1cc2sc(N)nc2cc1)CN3CCCC3	520
+C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F	521
+CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCC(CC2)Oc3c(cc(F)cc3)C#N	522
+c1cc(ccc1)C2CCN(CC2)CCC3c4cnn(-c5cc(c(cc5)Cl)Cl)c4CCC3	522
+c1cc(ccc1S(=O)(=O)n2c(cc3c2nccc3)-c4c5c(n(c4)CCN6CCOCC6)cc(c(OC)n5)OC)C	523
+C1C(CN1CC2Oc3c4ccc(C)nc4ccc3OC2)Cc5cn(c6c5cc(F)cc6)C	524
+C1CC(CCN1CCC2CCC(CC2)NC(=O)C)C(=O)c3ccc(F)s3	524
+C1CCCN1CC2(CCN(CC2)c3ncnc4nc[nH]c34)c5cccc(-c6cnn(C)c6)c5	524
+C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC	524
+C1CN(CCN1CCc2c(cccc2)[N+]([O-])=O)c3nsc4c3cccc4	524
+C1CN(CCN1CCc2c3ccc(cc3oc2)OC)c4c5ncccc5ccc4	524
+C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F	524
+C1CN(CCN1CCn2ccc3c4nc(-c5occc5)nn4c(nc23)N)C(Cc6ccc(cc6F)F)=O	524
+C1CN(CCO1)CC2Oc3c(ccc(S(=O)(=O)C)c3)CC2	524
+C1CNCCN1CCOc2c(cc(F)cc2)F	524
+C1COCCN1CCc2sc3c(c2)c(N)nc(-c4cccc(C#N)c4)n3	524
+CC(C)(C)C(=O)Nc1cccc(-c2c(cc(CCN(C)C)c(c2)OC)OC)n1	524
+CC(C)(C)OC(=O)NC1CC(CN2CCC(CC2)Cc3ccccc3)CC1	524
+CC(C)(C)OC(=O)NC1CCN(CC1)CCSc2cnc3c(cc(cc3)OC)c2	524
+CC(C)(C)OC(N1CCN(CC1)CCCCc2cn(c3c(nc(CCCC)nc23)N)COCc4ccccc4)=O	524
+CC(C)C(N(C(c1cc(c(cc1)F)C)=O)C)CN2CCC(CC2)O	524
+CC1(C)Oc2c(c(CCN3CCC(CC3)C(=O)OCC)ccc2)CO1	524
+CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O	524
+CN(C)CCCn1c2c(ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)c2)nc1	524
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1	524
+FC(F)(F)C(N(c1ccc(CCC(OCC)=O)c(F)c1)Cc2ccc3c(c2C)N(CCN4CCCCC4)CCC3)=O	524
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4nc(CC(F)(F)F)cn4CCN5CCC5	524
+FC(F)(F)c1ccc(cc1)-c2c3c(cc(cc3)C#CCCCN4CCC4)sn2	524
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(c(OC)c3)C=4NOC(=O)N=4)c(n2)CCCN5CCC5	524
+c12c(OC(CO1)CN3CC(Cc4c[nH]c5cc(F)ccc45)CCC3)c6c(nc(cc6)C)cc2	524
+c1cc(ccc1)C2=CN(C(c3ccccc23)=O)CCCN4CCCCC4	524
+c1cc(ccc1)C2CCN(CC2)CCC3c4cnn(-c5cc(c(cc5)Cl)Cl)c4CCC3	524
+c1cc(ccc1)CN2CC3CCC(C2)C3N(C)CCCC(c4ccc(cc4)C#N)Oc5ccc(c(OC)c5)OC	524
+c1cc(ccc1OCc2ccccn2)-c3nc(CCN4CCCC4)c(C)o3	524
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1	525
+CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O	526
+CC(C)(C)C(=O)Nc1cccc(-c2c(cc(CCN(C)C)c(c2)OC)OC)n1	527
+c1cc(ccc1)C(C)(CN(C)S(=O)(=O)c2ccccc2)CC=C(C)C	528
+FC(F)(F)c1cc(c(cc1)N(CC)CC2CCC(CC2)CC(=O)OCC)C=O	529
+FC(F)(F)c1cc(c(cc1)N(CC)CC2CCC(CC2)CC(=O)OCC)C=O	530
+FC1(F)C(C2c3ccccc3N(CC(N)=O)CC2)C1	531
+FC1(F)CC1C2c3c(cccc3)N(CCN)CC2	532
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)N(Cc3cc(C)c(OCC(=O)OCC)cc3)CCCC	533
+c12c(cccc1)C(=O)N(C2=O)CCCCC=C	534
+c1ccc2c(c1)C(=O)N(C2=O)CC3CS(=O)(=O)N(C3)CC	535
+c12c(cccc1)C(=O)N(C2=O)CCCc3ccc(cc3)CCCCC	536
+C1CC(CCO1)N(c2cccc(C(OC)=O)c2Br)CC	537
+FC(F)(F)COc1ccc(cc1N2CCNCC2)F	538
+C1CN(CCN1)c2c(c(C)ccc2)C=3CC(C)(C)CC(C)(C)C=3	539
+CCN(c1cc(Cl)c(F)cc1)C(C)=O	540
+FC1(F)C(C2CCN3CCNCc4c3c2ccc4)C1	541
+CC(C)(C)OC(N(C(CCN1c2c(N(c3c(F)cccc3)S1(=O)=O)cccc2)c4ccccc4)C)=O	542
+c1c2c(CC(N(CCCNC(=O)Cc3cc(OC)c(OC)cc3[N+]([O-])=O)C)CC2)cc(c1)OC	543
+C1CCC(C1)C(=O)NCCn2c3CCN(Cc3c4cc(ccc24)C)C	544
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	545
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	546
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CCNC(=O)c3cccnc3	547
+CC(C)(C)OC(=O)N1CC(C1)(CNC(=O)c2c(ccc(F)c2Cl)F)C3CCCCN3C	548
+CC(C)(CNC(c1ccc(c(Cl)c1)Cl)=O)NCCC=C	548
+CN(C)C(C)(CCCC)CNC(=O)c1ccc(c(Cl)c1)Cl	548
+CC(C)(C)OC(=O)N(C)C(CNC(=O)c1cccc(C(OCCNC(OC)=O)c2cc(Cl)ccc2)c1)CC3CCCOC3	549
+c1cc(ccc1)C(=O)N(C)C(CCNC(=O)c2ccnc3ccccc23)Cc4ccccc4	550
+CC(C)(C)OC(=O)NC(CNCC(Cn1c2ccc(F)cc2c3c1ccc(F)c3)O)C	551
+CC(C)(C)OC(N1CCN(CC1)C(c2c(cccc2)F)CNCC(CC)CC)=O	552
+FC1(F)C(C2CCN3CCNCc4c3c2ccc4)C1	553
+c1cc(ccc1Nc2ncc(cc2)C(=O)N)CCNCc3ccccc3	554
+c1(cc(ccc1F)CC2CNCCO2)C	555
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)CNC3CC3c4ccccc4	556
+CC(C)(C)OC(=O)NC(CO)CNCCN	556
+C1CC(CCC1CNCC)CC(=O)OCC	557
+c1cc(ccc1Cl)CNCC	557
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CNCC(F)(F)F)=O)cnc12	558
+CC(C)(C)OC(=O)N1C(CC2CCCC12)CNCc3ccccc3	559
+CC(C)(C)OC(=O)N1C(CNCc2ccccc2Cl)(CCC1)C	559
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)CNC3CC3c4ccccc4	559
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CNCC(F)(F)F)=O)cnc12	559
+O=S1(=O)c2c(C(c3ccccc3)NC(CC)(C1)CCCC)cc(c(CCCNCCS(=O)(=O)O)c2)OC	559
+c1(Cl)cc(cc(Cl)c1NCC(OCC)=O)CCNC(C(c2ccc(cc2)O)O)C	559
+c1cc(ccc1)CCOCCC(N(C)CCNCC(O)c2c3SC(=O)Nc3c(OCc4ccccc4)cc2)=O	560
+c1cc(ccc1)CCOCCC(N(C)CCNCC(O)c2c3SC(=O)Nc3c(OCc4ccccc4)cc2)=O	561
+FC(F)(F)c1cc(-c2[nH]c(nc2)C3CCC(CC3)CNCC)ccc1	562
+C1CN2CCC1C(NCCc3n(C)c4ccccc4c3)C2	563
+FC(F)(F)Oc1ccc(cc1)CNCC	563
+c1cc(ccc1Br)CCCNCC(c2cccnc2)O	563
+C1CN2CCC1C(NCCc3n(C)c4ccccc4c3)C2	564
+c1cc(ccc1C(OCC)=O)-c2cc(-c3ccc4C(C)(C)CCC(C)(C)c4c3)c(cc2)OCCCNC5CC5	565
+CC(C)(C)OC(NC(C(O)CNCc1cc(ccc1)OC)Cc2cc(F)cc(F)c2)=O	566
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(C)c(OCCNCCO)c(CC)c4)c2)OC	567
+C1c2ccccc2CC1NCCCC3N(CCCC3)Cc4ccccc4	567
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)CNCCO	567
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCNC(C)C	567
+c1cc(ccc1CCNC)-n2c3c(c(C)cc(C)n3)nc2CC	567
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCNC(C)C	568
+O=S(=O)(NCCOc1c(cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)cc1Br)OCC)C	569
+n1cccnc1NCCN2CC(O)C(CC2)NCc3ccccc3	570
+CC(C)(C)OC(N1CCC(CC1)(CCCNc2ccc(nc2C)N3CC(CC3)N4CCCC4C)C(=O)OCC)=O	571
+C[Si](C)(C)CCOCN1C(c2cc(ccc2N=C1n3ncc(C(OCC)=O)c3)NCC)=O	572
+CC(C)(C)OC(=O)NC(CN=[N+]=[N-])CCC(OC)=O	573
+C(C)(=O)CC(C(O)CN=[N+]=[N-])O	574
+CC(C)(C)OC(=O)NC(CN=[N+]=[N-])CCC(OC)=O	574
+CC(C)(C)OC(N1CC(CC1CN=[N+]=[N-])O)=O	574
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(N3C(=O)OC(CN=[N+]=[N-])C3)cc2)F)=O	574
+CC(OC1CC2C(C(CCC2(C)C1=C)C3(C)C(COC(=O)C)CC(OC(=O)C)CC3)CN=[N+]=[N-])=O	574
+[N-]=[N+]=NCCCCC#C	574
+[N-]=[N+]=NCCCC1NC(c2[nH]c3c(cc(OC)cc3)c2C1)=O	575
+c1cc(ccc1CCCCN=[N+]=[N-])OC	575
+FC(F)(c1ccc(C)cn1)CN=[N+]=[N-]	576
+C(C=CCC=CCCCCC)C=CCC=CCCCCN=[N+]=[N-]	577
+CC(C)(C)OC(=O)N1CC(CC(CN=[N+]=[N-])C1)N2C(c3c(noc3C)-c4c(Cl)cccc24)=O	578
+c1cc(ccc1C#N)C(CCN=[N+]=[N-])n2ccnc2	579
+CC(C)(C)OC(=O)N1CC(CC(CN=[N+]=[N-])C1)N2C(c3c(noc3C)-c4c(Cl)cccc24)=O	580
+CC(C)(C)OC(NC(CC1CCCOC1)CN=[N+]=[N-])=O	580
+Cc1ccccc1-c2c(ccc3CC(CN=[N+]=[N-])Oc23)F	580
+FC(F)(c1ccc(C)cn1)CN=[N+]=[N-]	580
+O=S(=O)(C)c1cc(C(CCN=[N+]=[N-])NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)ccn1	581
+c1cc(ccc1C#N)C(CCN=[N+]=[N-])n2ccnc2	581
+CC(C)(C)OC(C1CC2(CCC1(CC2)CN)CN)=O	582
+CC(C)(C)OC(=O)NC(CN)C	583
+CC(C)(C)OC(C1CC2(CCC1(CC2)CN)CN)=O	583
+FC(F)(c1ccc(C)cn1)CN	584
+C(C=CCC=CCCCCC)C=CCC=CCCCCN	585
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	586
+C1COCCN1CCCN2C=3c4cc5OCOc5cc4C(C=3c6c(cc(c(OCCCN)c6)OC)C2=O)=O	587
+NCCc1cc(Cc2cccnc2)cc(CCC(OCC)=O)c1	588
+c1cc(ccc1SC(C#N)(CCCCCN)c2ccc(OC)c(c2)OC)C	589
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCN)OC)OC	590
+FC(F)(c1ccc(C)cn1)CN	591
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	592
+O=S1(=O)N(CC(CN)C1)CC	593
+c1cc(ccc1CCCN)CCCCC	594
+CC(C)(C)OC(N1CCC(CC1)(CN)F)=O	595
+O=S1(=O)N(CC(CN)C1)CC	595
+c1cc(ccc1C(n2cncc2)CCN)C#N	596
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	597
+CC(C)(C)OC(NC(CC1CCCOC1)CN)=O	598
+C(C=CCC=CCCCCC)C=CCC=CCCCCN	599
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	599
+CC(C)(C)OC(NC(CC1CCCOC1)CN)=O	599
+CC(C)(C)OC(NC(COC)CN)=O	599
+Cc1ccccc1-c2c(ccc3c2OC(CN)C3)F	599
+FC(F)(c1ccc(C)cn1)CN	599
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	600
+O(CC)P(OCC)(CCOCCN)=O	601
+O=S(=O)(c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCN)C	602
+c1cc(ccc1C(n2cncc2)CCN)C#N	602
+O=S(=O)(c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCN)C	603
+c1cc(ccc1)-c2sc(C)c(n2)CCN	603
+c1cc(ccc1C(n2cncc2)CCN)C#N	603
+Cc1ccccc1-c2c(ccc3c2OC(CN)C3)F	604
+c1ccccc1COC(=O)NC(CN)COC	605
+c1ccccc1COC(=O)NC(CN)COC	606
+c1c(C)nc(CCN)cc1	607
+c1cc(ccc1CCCN)CCCCC	607
+CC(C)(C)OC(=O)NC(CCC(OC)=O)COS(=O)(=O)c1ccc(cc1)C	608
+CC(C)(C)OC(=O)NC(COS(=O)(=O)c1ccc(cc1)C)Cc2ccccc2	608
+C1OC(CCC1)OCC2Oc3c(cc(cc3CC2)F)[N+]([O-])=O	609
+CCOC(Cc1ccco1)=O	610
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(cc(c3)Br)F)=O	611
+c1cc(ccc1Br)-c2nc(c(C)o2)CCOCc3ccccc3	611
+C(CCCOCCCOCCCCCCCCCCCCCCCCCC)O	612
+c1cc(ccc1)C(CC=C)(COC)C	613
+C1CCC(C1)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	614
+CC(C)(C)OCCCON	615
+O=S(=O)(C)OCCCC1=C(c2ccc(C)nc2N(CC)C1=O)c3cccc(c3)Cl	616
+O=S(=O)(C)OCCCC1=C(c2ccc(C)nc2N(CC)C1=O)c3cccc(c3)Cl	617
+O=S(=O)(C)OCCC(C)(C)CC1OCCO1	618
+O1CCOC12CCC(CC2)(CC)COS(=O)(=O)c3ccc(cc3)C	619
+CC(C)(C)[Si](C)(C)OCC1C(CCN1C(=O)OC(C)(C)C)O	620
+CC(C)(C)[Si](C)(C)OCC(C)(C)c1cc(N)n(-c2ccccc2)n1	621
+CC(C)(C)[Si](C)(C)OCCC(O)C1=CC(N(C=C1)C2=CC(C)(C)Oc3c2cc(C#N)cc3)=O	621
+CC(C)(C)[Si](C)(C)OCC(C)(C)CCC#N	622
+CC(C)(C)[Si](C)(C)OCCc1cc([N+](=O)[O-])cc(F)c1N(Cc2ccccc2)C	623
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)CCOc3c4c(cccc4)c(C=O)cc3)C	624
+CC(C)(C)OC(N1CC(C1)CCOc2cccc(Oc3ccc(cc3)Cl)c2)=O	625
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)CCOc3c4c(cccc4)c(C=O)cc3)C	625
+c1ccccc1OCC(n2c3cc(F)c(cc3nc2-c4ccc(cc4)Cl)F)C5CCCCC5	626
+c1cc(-c2oc(-n3c(ncc3)C)nc2CCCCOc4c(C)cccc4)c5c(cccc5)c1F	627
+C(C)N(CC)CCOc1c2c3c(c(ccc3)C)n(Cc4ccc(cc4)F)c2ccc1	628
+C(C)N(CC)CCOc1c2c3c(c(ccc3)C)n(Cc4ccc(cc4)F)c2ccc1	629
+C1CC(CCN1c2nc(no2)C(C)C)COc3ccc(nc3)-c4c(F)cc(cc4)SC	630
+c1cc(c(c(F)c1OCCOC)C#N)I	631
+c1cc(OCCBr)cc([N+]([O-])=O)c1OCC(OC)=O	632
+CC(C)(COC)C1Cc2c(C3=CC(C(=CN13)C(OCC)=O)=O)cc(OC)c(OCCOCC)c2	633
+CCN(CC)CCOc1c(Cl)cc(Cl)c(c1)-c2nc(N)nc3sc(cc23)C(OCC)=O	633
+CN(C)CCOc1ccc(cc1)C(Cc2ccc(cc2)Cl)=O	634
+C(CCCCC)Oc1cc2c(cc1)c(-c3cnccc3)cs2	635
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(OCC)cc3)C1=O)N(c4ccc5nc(oc5c4)C)C	635
+c1c2n(CC)cc(c2ccc1OCC)C#N	635
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)OCCC	635
+c1cc(ccc1OCCCCCC)S(=O)(=O)N(CC(C)C)CC(=O)OCC	635
+FC(F)(F)c1cc(-c2cc3n(nnc3c(C#N)n2)C)ccc1OCC4CCN(CC4)c5cc(ccn5)C	636
+c1cccc2nc(-c3c(OCCOCCOCCOC)cc([N+](=O)[O-])cc3)sc12	637
+CC(C)(C)OC(=O)NC(COc1c(cc(N)cc1)-c2n(C)ncc2)C	638
+FC(F)(F)c1cc(-c2cc3n(nnc3c(C#N)n2)C)ccc1OCC4CCN(CC4)c5cc(ccn5)C	638
+O=C1c2c(cccc2)C(=O)N1C(COc3c4c(cncc4)ccc3)C	638
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(Br)c2)O	638
+C1C(CC1)N2CCc3cc(ccc3CC2)OCCCC(=O)OCC	639
+C1CCC(C1)c2c(OCCCC(=O)OC)ccc(-c3c4c(c(Br)c5ccccc35)sc(C)c4C)c2	640
+FC(F)(F)COc1c(CC(OC)=O)ccc(c1)OCC2OC2	641
+CC(C)Oc1cc(C(=O)Nc2ncc(C(=O)OC)cc2)cc(OCC(C)C)c1	642
+CC(C)(C)OC(=O)NCCOc1ccc2c(c1)C(C(N3CCCC3)CC2)Cc4cc(c(cc4)Cl)Cl	643
+c1cc(ccc1N2CCN(CC2)c3ccncc3)OCCCC(OCC)=O	643
+c1(cccc(OCC)c1Br)C(=O)C	644
+c1cc(ccc1OCCCCc2cc(OC(=O)C)ccc2)CCN3C(OC(c4ccc5OC(C)(C)OCc5c4)C3)=O	645
+c1cc(ccn1)OCC(C2CCCCC2)n3c4c(nc3-c5ccc(cc5)Cl)cc(c(c4)F)F	645
+FC(F)(F)c1ccc(cc1)-c2nc(c(o2)C)CCO	646
+O=S(=O)(C)c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCO	647
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(SCCCO)cc3Oc4ccccc4)sc2	648
+C1CCN(C(=O)CCCO)c2cccc(Br)c12	648
+C1CN(CCO1)Cc2[nH]c3c4c(C5CC(CO)CN(C#N)C5Cc24)ccc3	648
+CC(C)(C)OC(=O)N1CC(CO)C(CC1)c2ccc(cc2)Cl	648
+CC(C)(C)[Si](C)(C)OC1CCN(C1CO)C(=O)Nc2c(C)c(Cl)c(C#N)cc2	648
+CC(C)=CCCCCCO	648
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)-c3cnn(C4(CC(C4)CO)CC#N)c3	648
+c1cc(ccc1)-c2oc(c(n2)CCO)C	648
+c1ccccc1CC(=O)NC2C(N(Cc3ccc(cc3OC)OC)C2=O)CO	648
+C(CCCO)n1c2c3c(cccc3)ncc2nc1CCC	649
+C1CC1OC2CC(N(C2)C(=O)OCc3ccccc3)CO	650
+CC(C)(C)OC(=O)N1CC(CC(CO)C1)N(C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C)C	650
+CC(C)(C)[Si](C)(C)OC1CC(N(C(=O)OCc2ccc(cc2)OC)C1)CO	650
+c1cc(ccc1)C(N2C(CC(CC(C)CO)C2)=O)C	650
+CC(C)(C)OC(=O)N(C(CCO)c1ccc(cc1)OCc2ccccc2)C	651
+c1[nH]c2c(c1CCCO)c(C)c(cc2)[N+]([O-])=O	651
+C(C)N(CC)C(c1ccc(cc1)C(CCO)c2cccc(OC)c2)=O	652
+C1C(CCC(=C1)CCCCC)CO	652
+CC(C)(C)c1cc(n(-c2ccc(cc2)CCO)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	652
+COc1ccc(CCO)c([N+]([O-])=O)c1	652
+Clc1cccc(c1)C2=C(C(N(c3nc(C)ccc23)CC)=O)CCCO	652
+O=S(=O)(c1cccc(OC)c1)NCCCO	652
+c1cc(ccc1)CN(C2C(CO)CN(CC2)CCc3ccc(cc3)F)C	652
+c1ccccc1OCCCCC(CO)C	652
+C1C2CCCC(CC1C(OC)=O)C2N3C(=O)C(C)(C)C(C3)CO	653
+c1(C(C(N)CO)C)[nH]cnc1	654
+CC(C)(C)OC(=O)N1CC(CO)CC(C1)N2c3cccc(Cl)c3-c4noc(c4C2=O)C	655
+C1CN(CCO1)c2c(c(c(C(OCC)=O)s2)C(c3cc(c(Cl)cc3)Cl)CCO)C#N	656
+CC(C)(C)OC(N(c1ccc(I)cc1F)C=2N(C)C(=O)C=CC=2NS(=O)(=O)C3(CC3)CCO)=O	656
+CC(C)c1c(cc2OCOc2c1)CCO	657
+c1cc(ccc1Br)-c2nc(c(o2)C)CCO	658
+CC(C)(C)OC(N1CC(C1)COS(=O)(=O)C)=O	659
+O=S(=O)(C)OCC(CCCCC)c1c2OCOc2ccc1	659
+O=S(=O)(OCC(C)(C)n1ncc([N+]([O-])=O)c1)C	660
+CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O	661
+CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O	662
+O=S(=O)(C)OCCCC1Cc2c(C(=O)N1)[nH]c3ccc(OC)cc23	663
+c1ccccc1COC(=O)NC(COS(=O)(=O)C)COC	663
+O=S(=O)(C)c1cc(C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CCOS(=O)(=O)C)ccn1	664
+c1c(C=2C(NC(=O)C=2c3cn(C)c4ccccc34)=O)c5c(cccc5)n1CCCS(=O)C	665
+c1ccccc1Oc2ccc(cc2)CCCC	666
+C(CC)CCCCCCc1c(c(ccc1)F)F	667
+CC(C)(C)OC(N1CCC1COc2cnc(Cl)c(c2)CC)=O	668
+CCCCCCCCCCCCc1sccc1	669
+C1CC2(CCN1Cc3ccccc3)Cc4c(C2)ccc(OC)c4	670
+CC(C)(C)OC(=O)NC1CC(CC(c2c(cncc2)NC(=O)c3nc(-c4c(cc(cc4F)CC)F)c(F)cc3)C1)C	671
+C1N(C)CCCC1Cn2cc(-c3cc(C#N)ccn3)nc2	672
+C1N(CC=C(COc2ccccc2I)C1)C	673
+CN(C)C1CCC(c2cc(cc(F)c2)Br)=CC1	674
+O1CCOC12CCC(c3cc(F)c(F)cc3F)=CC2	674
+c1cc(C=2CCC(CC=2)C=C)c(c(F)c1OCC)F	674
+C1C(c2cccc(c2F)F)=CCC(CCCCC)C1	675
+C1CC1CN2CCN(CC2)c3c(C=4CC(C)(C)CC(C)(C)C=4)cccc3	676
+c1cc(ccc1)CC(O)C=CC2N(CCCCCl)C(CC2)=O	677
+c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2	677
+CC(C)(C)[Si](C)(C)OC(CCCC(C=CC1C(OC2CCCCO2)CC(Cl)C1CCCc3ccc(C(OC)=O)s3)O)C	678
+c1cc(ccc1)CC(O)C=CC2N(CCCCCl)C(CC2)=O	678
+c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2	678
+c1cc(ccc1)CC(=O)C=CC2CCC(N2CCCCCl)=O	679
+c1cc(ccc1)CC(=O)C=CC2N(CCCCOCC(=O)OC)C(CCC2)=O	679
+C(CCCCCC(OC)=O)CCCCCCCCC=CC(CC)C	680
+O(C)c1c(cc(C(=O)OC)cc1OC)CCC=CCC	680
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F	681
+c1cc(ccc1C(=O)OC)CCC(CCC2(CC2)CC(OCC)=O)C=Cc3c(O)cccc3	681
+c1ccccc1COc2cc3C=CC(C)(C)Oc3cc2	682
+c1ccccc1COc2cc3C=CCc3cc2	682
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F	683
+c1cc(ccc1C(=O)OC)CCC(CCC2(CC2)CC(OCC)=O)C=Cc3c(O)cccc3	683
+CC(C)(C)OC(=O)N1CCC(C1)C=C	684
+CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C	685
+c1ccccc1COCC(OCC=NO)CC=C	686
+CC(C)(C)OC(NC(Cc1ccccc1)(C)C=NO)=O	687
+CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C	687
+FC(F)(F)C(C=Nc1cc(cc2c1cnc(C)n2)F)(CC(c3cccc(c3OC)F)CCC)O	688
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=O)F	689
+CC12C3CCC4(C(CCC4C=O)C3CCC1CC(C)(O)CC2)C	689
+c1cc(ccc1C(=O)OC)CCC(C=O)CCC2(CC2)CC(OCC)=O	689
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1	690
+CC(C)(C)OC(NC(CCCC)C=O)=O	691
+CC(C)(c1c2c(ccc1)CCO2)CC=O	691
+c1cc(ccc1)CC(C=O)NC(OCC)=O	691
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)C=O	692
+CC(C)(C)OC(NC(C=O)C(C)C)=O	692
+CC(C)(COc1ccc(cc1)OC)C=O	692
+COc1c(cc(F)c(c1)CC=O)C#N	692
+c1c(OC)c(c(cc1CC=O)OC)OCc2ccccc2	692
+C1CC(CCN1OC)CC=O	693
+CC(C)(C)OC(=O)CC1CC(C(N(C(CC)C=O)C1=O)c2ccc(cc2)Cl)c3cc(Cl)ccc3	693
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CCCCC2)CC=O	693
+CC(C)(C)OC(NC(C=O)CC(C(C)C)Cc1cc2c(cccc2OCCOC)cc1)=O	693
+c1(C(C=O)C)ncccc1Cl	693
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCC=O)c1	693
+c1cc(ccc1F)C(C)(C)CCC=O	693
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1	694
+C1OC(CCC1)OCC(C)C=O	695
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)C=O)=O)cnc12	696
+CC(C)(C)C(=O)Nc1nc(ccc1)-c2c(OC)cc(CC=O)c(c2)OC	697
+CC(C)(C)OC(=O)N1CC(CC1C)c2ccccc2	698
+CC(C)S(=O)(=O)NC1C(O)(c2ccc(cc2)F)CCC1	699
+c1cc(ccc1)COC(N2CC(CC)C(C2)N=[N+]=[N-])=O	700
+c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O	701
+c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O	702
+CC1(C)Cc2c(OC)cccc2C1N3CCCCC3	703
+C1CC2(CCC1OC)Cc3cc(c(Br)cc3C2=N)F	704
+CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(cc1)Oc2cc3c(COC3)cc2)C	705
+c1cc(ccc1OCC(=O)Nc2c(C(=O)OC)cc(cc2)Br)C#N	706
+FC(F)(F)Oc1ccc(cc1)CN2C(CC(C)C2=O)c3ccccc3-c4ccccc4	707
+CC1CN(CC(C)O1)C2CCN(CC2)CC34c5c(cccc5)C(C3)c6c4cc(cc6)Cl	708
+O=S(=O)(c1ccc(cc1)N2C(C=CC(c3cc4CCN(CCc4cc3)C5CCC5)=N2)=O)C	709
+C1C(CC1)N2CCc3c(cc(Oc4c(cc(cc4)I)F)cc3)CC2	710
+C1CCC(C1)N2CCc3c(CC2)cc(cc3)Oc4ncc(C(NC)=O)cc4	711
+c1cc(ccc1-n2nc3CCN(CCc3c2)C4CCC4)NS(=O)(=O)C	711
+CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4	712
+CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4	713
+C1CC(CCN1C(C)=O)C(=O)Nc2cc(ncn2)-c3ccccc3OCC	714
+C1CC(CCN1C(C)=O)COc2c3c(cccc3)c(Cl)cc2C(NC(C)(C(=O)OCC)CC)=O	714
+c1cc(ccc1CC(C)(C)C(N2CCCC(CNC(=O)Nc3cc(-c4n(nnn4)C)ccc3)C2)=O)F	715
+c1cc(ccc1C2(CCC2)C(N3CC(CO)CCCC3)=O)Cl	716
+C1CN(CCN1C)C(c2cccc(c2)Br)c3ccc(cc3)Cl	717
+CC(C)(C)OC(N1CCN(CC1)C(NO)=N)=O	718
+FC(F)(F)C(=O)N(C(C)c1ccccc1)C2CCC3(OCCO3)CC2	719
+C1CC(CCN1C)N(C(=O)Cc2ccc(OC)c(O)c2)Cc3ccc(cc3)C	720
+C1CC2(CCC(CC2)N(C)c3nc(ncc3C)Nc4cn(C)nc4)CCN1C(=O)CC#N	721
+C1CN(CCC1C)C(Cc2ccc(cc2Cl)[N+](=O)[O-])=O	722
+CC(C)(C)OC(NC(Cc1ccc(c(F)c1)Cl)C(N2CCN(CC2)c3c4c(ncn3)CSC4CC)=O)=O	723
+c1cc(ccc1F)-c2nc(n(CC(=O)N3CCN(CC3)c4cc(OC)ccn4)n2)-c5ccc(cc5)F	723
+C1C(CN1C(=O)CCOCCc2ccc3c(ccs3)c2)O	724
+FC(F)(F)c1ccnc(COCC(=O)N2CC(NC(OC(C)(C)C)=O)CC2)c1	724
+c1cc(ccc1OCC(=O)N2CCCC(C(OCC)=O)C2)-c3ccc(cc3)C#N	724
+C1CC(CCN1C(Cn2nc(cc2Cl)Cl)=O)c3nc(C(N(C4CCCc5ccccc45)C)=O)cs3	725
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)CC(=O)OCC)=O)c4c(cccc4)Br	725
+c1ccccc1COC(=O)C2OCCN(C2)C(CCl)=O	726
+C1CN(CCC1COc2cc3ncnc(c3cc2OC)Nc4c5c(ncc4Cl)OCO5)C(CN(C)C)=O	727
+CC(C)(C)C(C)C(=O)N1CCC(CC1)c2c3c(ncc(NC(=O)c4cccc(C#N)c4)c3C)n(C)c2	727
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2c(N(S(=O)(=O)C)C)cccc2)Cc3ccc(cc3)Cl)=O	727
+c1cc(ccc1C(C)C)CC(N2CCN(CC2)c3c(c(ncn3)N)C=NOCC)=O	727
+c1cc(ccc1C(C)C)NC(C2CCN(CC2)C(CCC3CC3)=O)=O	727
+C1CC(CCC1C(=O)N2CCNCC2)CN3C(N(c4ccccc4C3=O)C)=O	728
+C1C(CC1)(C(=O)N2CCC(Nc3cc(c4cc(OC)ccc4n3)C)C2)c5ccc(cc5)Cl	729
+C1CC(CCN1C(=O)C2CCN(CC2)C(=O)C)N(CCC)C3Cc4c(CC3)ccc(OC)c4	729
+C1CC1(C#N)C(=O)N2CCC(C)C(N(c3c4c([nH]cc4)ncn3)C)C2	729
+c1cc(ccc1Cl)C2CN(CCC2C(Nc3ncc(cc3)C#N)C)C(C4CCN(CC4)c5ccc(cn5)C#N)=O	729
+C1CC(CCC1C(=O)N2CCC(CC2)N(C)C)Nc3nc(ccn3)-n4ccc5c4cccc5OCCCS(=O)(=O)C	730
+c1cc(ccc1N2CCN(CC2)C(C3CC34CCN(CC4)C5CCOCC5)=O)OC	730
+CC(C)(C)OC(N(Cc1c(F)cc(cc1)F)C2CN(Cc3ccccc3)C(C(=O)N4CCN(CC4)c5ccc(cc5)C(C)=O)C2)=O	731
+CC(C)(C)C(=O)N(C)c1ccc(cc1)C#N	732
+CC1(C)CN(c2cc(Cc3ccc(cc3)F)c(cc12)C#N)C(CCl)=O	733
+c1ccccc1-c2ccc(cc2)NC(=O)CC(=O)N3CCC(CC3)Nc4c(cccc4)C	734
+C1CN(CCN1C)C(=O)CCc2cccc(c2)O	735
+FC(F)(F)Oc1ccc(C2CC(CN(C(=O)N3CC(C3)O)C2)c4nc(OCC)no4)cc1F	736
+C1CN(CCC1=Cc2cc(Oc3ccc(cn3)OC(C)C)ccc2)C(=O)Nc4nnccc4	737
+FC(F)(F)c1ccc(cc1)CNC(=O)N2CC(c3cc(ccc3)OC(C)(C)C(OCc4ccccc4)=O)CCC2	738
+C1CN(CCC1=Cc2cc(Oc3ccc(cn3)OC(C)C)ccc2)C(=O)Nc4nnccc4	739
+C(N1c2c(ccc(c2)-c3nc(cs3)C(=O)OCC)CC1)(Nc4sc5c(cccc5)n4)=O	740
+C1CC(CCN1C(=O)Nc2ccccc2)(O)Cn3c4c(nc3COCC)cnc5ccccc45	741
+C1CN(CCC1Nc2ncc(C(=O)OC)cc2)C(Nc3ccccc3)=O	742
+C1CN(CCN1C)C(=O)Nc2cccc3nc(ccc23)NC4c5c(CC4)cccc5	743
+n1cc(cnc1NCC2CCN(CC2)C(=O)OCc3ccccc3)-c4ccc(cc4)S(=O)(=O)C	744
+C1CN(CCC1(c2c(C)cccc2)C#N)C(OCC)=O	745
+C[Si](C)(C)CCOC(N1CC(C(CC1)c2ccc(cc2)F)OCc3cc4c(cccc4)c(OCOCC[Si](C)(C)C)c3)=O	745
+C1CN(CCC1n2c3ncnc(Oc4cccnc4C)c3cn2)C(=O)OC5CCCCC5	746
+C1CN(CCN1C(=O)OC)C(C#Cc2cccc(c2)Cl)CC	747
+c1cc(ccc1)COC(=O)N2CC3C(=O)CCC3C2	748
+c1cc(ccc1Br)OC(N2CCc3c(O)nc(nc3C2)C)=O	748
+CC(C)(C)OC(=O)NCCN(C1CCC(CC1)(O)CC(OCc2ccccc2)=O)C(OC(C)(C)C)=O	749
+CC(C)(C)OC(=O)N(C1CC=C(CC1)c2c3c([nH]c2)ccc([N+](=O)[O-])c3)CC	750
+CC(C)(C)OC(=O)N(C1C(F)CN(C1)C(OCc2ccccc2)=O)C	751
+CC(C)(C)OC(=O)N(C1c2c(cc(cc2)C#N)OCC1)C	751
+CC(C)(C)OC(N1CCCC(N(C(=O)CC)c2ccccc2)C1)=O	752
+C1CN(CCN1C(=O)OC2CN(CC2)c3ncc(C(=O)N)cc3)C(C)C	753
+C1CN(CCN1C)C(=O)c2ccc3CN(c4c(cccc4)Cn23)C(c5ccc(cc5)C6CCCCC6)=O	754
+c1cc(ccc1S(=O)(=O)N(C)Cc2c(Cl)c(C(=O)N3CC(C(NCc4onc(C)n4)=O)Oc5ccccc35)sc2)Cl	755
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CC2)C(=O)c3ncn(-c4ccc(cc4)S(=O)(=O)C)c3	756
+FC(F)(F)c1cc(-c2occc2)cn3c(Cl)c(C(N4C(CN(C)CC4)c5ccccc5)=O)nc13	757
+C1CN(CCN1C(c2n[nH]c(-c3cnc(nc3)Oc4ccccc4)c2)=O)C	758
+C1CC1c2cccc(n2)C(N3CCN(C(OCc4ccccc4)=O)C(C)(C)C3)=O	759
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)C(=O)c3ccccc3	760
+C1CN(CCN1C(CNC(=O)c2ccc(cc2)Oc3ccccc3)=O)C(c4ccc(cc4Cl)Cl)=O	761
+c1cc(ccc1Nc2nc3-n4c(N(C(=O)c3cn2)c5c(cccc5Cl)Cl)ncc4)C(=O)N6CCC(CC6)N(C)C	762
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(C(N5CCC(OC)C5)=O)ccc4c(S(C)=O)c3	762
+CC(C)(C)OC(=O)N1C2(CCN(CC2)C(=O)c3ccc(cc3)-c4cn5c(-c6ccc(cc6)C#N)cnc5cc4)CCCC1	763
+CC(C)(C)OC(N1CCN(CC1)C(c2cc(nc3c2c(nn3C4CCCCO4)I)Cl)=O)=O	763
+CC(C)(C)OC(NC1C2C1CN(C2)C(c3ccc(cc3)NC(c4ccc(cc4)F)=O)=O)=O	763
+c1cc(ccc1NC(C2CN(CC(C2)N=[N+]=[N-])C(=O)c3cc(-c4occc4)ccc3)=O)Cl	764
+c1ccccc1C(=O)N2CCCC(NC(C(NC(c3cc4c(cccc4)o3)=O)CC(C)C)=O)C(C2)O	765
+C1CN(CCN1C)C(=O)c2ccc3CN(c4c(cccc4)Cn23)C(c5ccc(cc5)C6CCCCC6)=O	766
+CC(C)(C)OC(CC(c1onc(n1)C(=O)N2CC(C2)N(C)C)CCCC3CCCCC3)=O	767
+c1(C)cccc(C)c1N(S(=O)(=O)C)CC(N(CC)CC)C	768
+CN(C)C(Cc1c(Sc2c[nH]c3ccccc23)cccc1)=O	769
+c12n(C)c(CN(C(=O)C=Cc3ccc(nc3)N)C)cc1ccs2	770
+C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O	771
+CC(C)(C)OC(NC1Cc2c(CC1)ccc(OCCCC(=O)N(C)C)c2)=O	771
+CC(C)(Oc1ccc2c(c(C(=O)OCc3ccccc3)c(C)[nH]2)c1)C(N(CC)CC)=O	771
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(=O)N(Cc3nc4CCOCc4c(O)n3)Cc5sccc5	771
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(N(CC3CCCO3)Cc4nc(O)c5c(n4)CCOC5)=O	771
+C1(C(CC)=CN(C2CC(O)C(CN(C)C(Cc3ccccc3Br)=O)O2)C(N1)=O)=O	772
+c1cc(ccc1CN(CC)C(=O)COc2ccc(cc2)CCSc3c(cccc3)C(OC)=O)Cl	773
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(C)CCOC	774
+C1CN(CCC1N(C(Nc2cc(ccn2)Oc3cc(c(NC(C4(CC4)C(Nc5ccccc5)=O)=O)cc3)F)=O)C)CC	775
+COC(OC)CN(C)C(=O)Nc1sc(C(C)Oc2ccc(Cl)cc2Cl)nn1	776
+COC(OC)CN(C)C(=O)Nc1sc(C(C)Oc2ccc(Cl)cc2Cl)nn1	777
+CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C	778
+CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C	779
+CC(C)(C)OC(N(Cc1ncccc1)C)=O	780
+C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3	781
+C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3	782
+CC(C)(C)OC(Nc1nc(C(N(C)C)=O)cs1)=O	783
+COc1nnc(-n2nc(cc2-c3ccc(cn3)C#N)C(=O)N(C)CC)cc1	784
+c1cc(ccc1)-n2nc(C(OC)=O)c(C(=O)N(C)C)n2	785
+c1cc(ccc1C#Cc2ccc(cc2)C(=O)N(Cc3cc4C(OC(C)(C)Oc4cc3)=O)CCCCCC)CCCC	786
+c1cc(ccc1C(N(C)Cc2cccc(c2)OC)=O)-c3cc(ccc3C)-c4nnc(C)o4	787
+CN(C)CC(=O)N1c2ccc([N+]([O-])=O)cc2CC1	788
+CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O	789
+CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O	790
+C1COCCN1c2cc(-c3c4c(ccc3)Sc5cc(NC(=O)CN(C)C)ccc5S4)nc(O)c2	791
+CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2	792
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C	793
+C(C)N(CC)CC1Oc2cc(S(=O)(=O)C)ccc2OC1	794
+C(C)N(CC)CCC1(C=CCC=C1)c2ccccc2	794
+CN(C)CCOc1ccc2n(cc(CC(N3C4CC4CC3C(=O)NCc5c(F)c(ccc5)Cl)=O)c2c1)C(=O)N	794
+FC(F)(F)CCS(=O)(=O)CCCN(CCCO)CCCCCCC1=C(CCCc2c1ccc(O)c2)c3ccccc3	794
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C	794
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCN(CC)CC	794
+c1ccccc1CCCCN(C)C	794
+CN(C)CC1(CCCCC1)c2cc(c(Cl)cc2)Cl	795
+CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2	795
+CC(C)(C)OC(N1CC(NC(=O)COCCN(C)C)CC1)=O	796
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3ccc(CN(C)C)nc3)=O	797
+C(C)N(CC)Cc1nc2cc(c(cc2c(c1C(C)=O)-c3cc(c(cc3)OC)OC)OC)OC	798
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2onc(n2)CN(CCOC)C)=O	799
+C1CC(CCC1N(C)Cc2cnccc2)N(c3c(c(cc(Cl)c3)C(=O)NCc4c(nn(C)c4C)OC)C)CC	800
+CN(C)Cc1cc(N)ccc1Br	801
+CN(C)Cc1cc(C#Cc2cc(cnc2)C#N)ccc1F	802
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4ccc(cc34)-c5c(CN(CC)CC)ccc(F)c5)N	802
+C1CN(CCN1c2oc(nn2)C3CCC4N(C(=O)N3C4)OCc5ccccc5)C	803
+c1cc(ccc1F)S(=O)(=O)N2CCN(CC2C(=O)OCC)C	803
+c1cc(ccn1)-c2cn(nc2-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F)C5CCN(CC5)C	804
+C1CC(CCN1C)COc2cc3c(c(Oc4ccc(c(F)c4)NC(NC5CC5)=O)ccn3)cc2C#N	805
+C1CN(CC1c2nnc3n2cc(cc3)F)C	805
+C1N(CCC1COC(=O)Nc2ccccc2Br)C	805
+C1C(C(CN(C(=O)OCC)C1)CC)=O	806
+c1cc(ccc1)CN(CCc2cccnc2Cl)CCO	807
+c1ccccc1S(=O)(=O)Nc2cccc(Sc3ccc4c(CN(C(N)=N4)CCC)c3)c2	808
+CC(C)(C)[Si](C)(C)OCCN(C(C)C)C(=O)c1nc(nc(c1OCc2ccccc2)O)Cc3c(Cl)cccc3Cl	809
+O=S(=O)(N(C)C(CO)C(CC)C)c1ccc(cc1)Cl	810
+C(O)CN(C)c1n(C)ncc1[N+](=O)[O-]	811
+CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(CN3CCC(CC3)CCC)=C(Cl)C=C(C2=O)Cl	812
+C1CN(CCN1CC(COc2c(OC)cccc2)O)CC(Nc3c(cccc3C)C)=O	813
+C1C(CC1)N(CCCc2c[nH]c3c2cc(C#N)cc3)C4COc5cccc(OC)c5C4	814
+C1CN(CCC12CC(c3c(ccc(C=CC(=O)OC)c3)O2)=O)CCc4c[nH]c5ccccc45	815
+c1cc(ccc1SCCCN2CCC(CC2)c3c4c(n(c3CC)-c5ccccc5)cc(F)cc4)F	815
+FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C	816
+n1c2cc3c(cc2oc1C)CCN(CC3)CCCl	816
+C1CN(CCN1CCN2CCOC2=O)C3c4ccccc4Sc5c(C3)cc(cc5)C	817
+C1CC(CCN1CCc2cc3N(C)C(=O)OCc3cc2OC)n4c5cc(C(=O)NC)ccc5cc4	818
+CC(C)(C)OC(=O)N1CCC(N(CCCCN(C2Cc3c(CC2)ccc(OC)c3)CCC)CC1)=O	819
+CC(C)(C)OC(=O)N1CCN(CC1)CCn2ncc3cc(ccc23)Oc4c(cc(cc4)F)C#N	819
+c1cc(ccc1)N2CCN(CC2)C(=O)NCCCCN(CCC)C3CCc4c(C3)scn4	820
+C1CN(CCC1O)CC23CC(c4ccc(cc24)Cl)c5ccccc35	821
+CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O	821
+CC(C)(CN1CCCC(CNC(=O)Nc2cc(-c3n(nnn3)C)ccc2)C1)Cc4ccc(cc4)F	821
+c1cc(ccc1Cl)C2(CCC2)CN3CC(CCCC3)CO	821
+c1ccccc1COC(=O)NC(c2ccccc2)CN3CC(CC3)OCCOCCOCCOCCOCCOC	821
+C1CN(CCN1C)CCCOc2ccc(cc2)NC=C3c4ccccc4NC3=O	822
+C(OCC)(=O)C1CCCN(CCC2COc3c(cccc3)O2)C1	823
+C1CC(CCN1CCC2OCCc3cc(ccc23)C(=O)N)c4c5cc(ccc5n(c4)C)OC	823
+C1CC(CCN1CCC2c3ccccc3OCC2)NC(C)=O	823
+C1CC(CCN1CCCCn2cnc3c2cccc3)N4c5c(cccc5)NC4=O	823
+C1CCN(C1)CCN(C)CCSC2CCC3(C)C(CCC4C5(CCC(c6ccoc6)C5(CCC34)C)O)C2	823
+C1CN(CCN1CCC2CC(Nc3ccccc23)=O)c4cccc5c4cc(cc5)OC	823
+C1CN(CCN1CCCCc2c3cc(ccc3[nH]c2)C#N)c4sc(C#N)c(n4)C	823
+CC(C)(C)OC(=O)NC1CCCCC1CN2CC(COC)CCC2	823
+CC(C)(C)OC(=O)NC1CCN(CC1)CC2CN3C=4N2C(=O)C=CC=4N=CC3=O	823
+CC(C)(C)OC(N1CC(c2ccccc2)C(CN3CCC4(CC3)CCN(Cc5ccc(cc5)Br)C4=O)C1)=O	823
+CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O	823
+c1cc(ccc1)C(c2ccccc2)CN3CC(O)(CC3)C	823
+c1cc(ccc1C(CCCCN2CCN(C(=O)OCC)C(C)C2)c3cnccc3)F	823
+c1cc(ccc1C2(CCC2)C(N3CC(CN4CCN(CC4)c5c(OC)cccc5)CCC3)=O)Cl	823
+c1ccccc1-n2c3c(c(ncn3)NCCCN4CCN(CC4)c5cccc(Cl)c5Cl)nc2-c6ccccc6	823
+c1cc(ccc1)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN3Cc4ccccc4C(C5CCC5)(C(O)C3)O	824
+c1nc(c2n1-c3c(c(ccc3)CCN4CCN(c5c6c(cc(c5)F)nc(C)cc6)CC4C)OC2)C(=O)OCC	824
+C1CN(CCN1CCC(C(C2CCCCC2)=O)c3ccccc3)c4ccccc4OC	825
+C1CN(CCN1CCOc2cc3c(cc2)OCC(N3)=O)c4c5c(nc(cc5)C)ccc4	826
+O(C(=O)C1CN(CCSc2c(ccc(F)c2)F)CCC1CCC(=O)c3c4c(ccc(OC)c4)ncc3F)C	826
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCO)=O)O	826
+c1cc(ccc1C#N)NC(C(=O)OCC)c2c(F)c(OC3CCN(CC3)CCO)cc(OCC)c2	826
+C1CN(CCN1CC2CCC2)c3c(cc(N4CC(C)OC(C)C4)cc3)C5CCC(C)(C)CC5	827
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(OCC)=O	828
+c1cc(ccn1)C(Cn2c3c(c4cc(ccc24)C)CN(CC(O)C)CC3)O	829
+C1CN(CCC1)CCCN2CCC(CC2)CCCN3C(=O)c4c(N=C3C)c(OC)ccc4	830
+C1CN(CCN1c2c3c(nc(cc3)C)ccc2)CCc4ccc5OCC(N(C)c5c4F)=O	830
+CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)c3cc(ccc3)NC(=O)CC	830
+O=S(=O)(c1ccc(cc1)NC(=O)CC2CCN(CC2)CCO)C	830
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)CC	831
+C1C(CCCN1CC)CCn2c(OC)nc3c2nc(nc3N)OC(CCC)C	832
+c1cc(ccc1CN(C)CCc2cnn(c2)-c3nccc(C#N)c3)F	833
+C1CN(CCN1CC2(CCOCC2)c3ccc(cc3)OCCCN4CCCC4)C	834
+FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C	834
+c1cc(ccc1)CN(C2C(CN(CCc3ccc(cc3)F)CC2)C(=O)OCC)C	834
+c1cc(ccc1CN(C)CCc2cnn(c2)-c3nccc(C#N)c3)F	834
+C1CC1CN2CCc3c(ccc(Oc4ncc(-c5onc(n5)C)cc4)c3)CC2	835
+C1CC(CCN1CCc2cc3N(C)C(=O)OCc3cc2OC)n4c5cc(C(=O)NC)ccc5cc4	836
+c12c(cccc1)C(=O)N(C2=O)CCCN(C(C)C)S(=O)(=O)c3ccccc3[N+]([O-])=O	837
+O=S(=O)(N(CCCBr)CC)c1ccccc1[N+](=O)[O-]	838
+C1N(C)c2c3N(C1)C4C(CN(C(=O)OCC)CC4)c3ccc2	839
+N1(c2ccc([N+]([O-])=O)cc2OCC1)C	840
+FC1(F)CC1C2c3c(cccc3)N(CCN)CC2	841
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCN(CC3)CC(COc4cc5cccnc5cc4)O)=O	842
+n1c2c(ccc(Nc3cc(C=4CCN(C)CC=4)ncn3)c2)ccc1	843
+c1c(C=CC(N(Cc2n(c3c(cccc3)c2)C)C)=O)cccn1	844
+c12n(C)c(CN(C(=O)C=Cc3ccc(nc3)N)C)cc1ccs2	845
+c1cc(ccc1Cl)CNC(C=2C(c3cc(CN(CC(c4cccn4C)O)C)sc3N(C=2)C)=O)=O	846
+CC(C)OC(=O)c1cccnc1N2CCC(N(CC)Cc3sc(c(C)c3)C)C2	847
+FC(F)(F)c1ccc(cc1)-c2nc(CN3CCN(CC3)Cc4ccc(c(OC)c4OC)OC)c(C)n2C	848
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CC(N(Cc2nc(ccc2)C)CC)=O)c3ccc(N)nc3	849
+CC(C)(C)OC(=O)n1nc(cc1)CN2CC(C)NC(C2)C	850
+n1cccnc1CN2CC(C2)n3c(-c4ccnc(n4)N)c(nc3)-c5ccc(cc5)F	851
+CC(C)(C)OC(N1CCN(Cc2c(ccc(OS(=O)(=O)C)c2)Cl)C(C1)=O)=O	852
+CC(C)(C)OC(N1CC(C(=O)N(CC(C)C)Cc2cc3c(OCCCO3)c(Cl)c2)CC1)=O	853
+CC(C)(C)OC(=O)N(C)Cc1ccc(c(c1)F)CO	854
+CC(C)(C)OC(N(Cc1cc2c(OCO2)cc1)CCCBr)=O	855
+CC(C)(C)OC(=O)N(Cc1cc(ccc1I)Br)CC	856
+CC(C)(C)OC(N(Cc1cc(ccc1Oc2cc(Cl)c(cc2)Cl)Br)C)=O	856
+c1cc(ccc1F)COC(N(Cc2c(-c3cc(ccc3OC)CC(OC)=O)cc(cc2)OC)CC)=O	857
+c1cc(ccc1C#Cc2ccc(cc2)C(=O)N(Cc3cc4C(OC(C)(C)Oc4cc3)=O)CCCCCC)CCCC	858
+CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)CCCCN(Cc1ccccc1)CC(O)CCl	859
+FC(F)(F)c1ccc(cc1)CN2CCC3(CC2)CN(CC3)C(c4ccc(cc4)-c5oc6c(C(C)C)cc(C#N)cc6n5)=O	860
+O=S(=O)(N1C(C(OCC)=O)CN(CC1)Cc2ccc(cc2)Br)c3ccc(cc3)OCC#CC	860
+c1cc(ccc1CN2CC(OCC2)C(C)C)Br	860
+c1cc(ccc1NC(NCC2OCCN(Cc3cccc4c3cccc4)C2)=O)Cl	861
+C1CN(CCC1CNc2nc3c(C(=O)OC)cccc3[nH]2)Cc4cc(Cl)cc(c4O)Cl	862
+c12c(CN(Cc3cccc4c3OCO4)C1)c(Nc5cc6c(nc5)cccc6)ncn2	862
+c1cc(ccc1)CN2CCCC(CN3CCC(CC3)C(=O)Nc4ccc(c(Cl)c4)Cl)C2	862
+c1cc(ccc1Oc2cccc(CN3CCN(CC3)C(=O)Nc4noc5c4cccc5)c2)Cl	862
+c1ccn(c1)-c2c(CN3CCC(CC3)Nc4nc(NCCCN(C)C)nc5ccccc45)cccc2	862
+FC(F)(F)c1nnc(N(C)C2CCN(CC2)Cc3ccc(cc3)F)s1	863
+FC(F)(F)CN1CCN(Cc2cccc(F)c2F)CC(NC(=O)OC(C)(C)C)C1=O	864
+CC(C)(C)OC(N(C1CN(CC1)Cc2ccc(cc2)OC)c3ncc(C=CC(=O)OCC)cc3)=O	865
+FC(F)(F)c1ccc(cc1)CN2CCC(CC2)Nc3ccc(C#N)nn3	865
+FC(F)(F)c1cc(CN2CCN(CC2)C)cc([N+](=O)[O-])c1	866
+c1cc(ccc1-c2ccc(cc2)NC(C=Cc3ccc(cc3)CN4CCC(CC4)C)=O)Cl	867
+CC(C)(C)OC(Nc1cc(C)cc(CN2CCN(CC2)C(C)=O)c1)=O	868
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(-c4ccc(cc4)CN5CC(C5)C(O)=O)n3	868
+c1cc(ccc1)-c2ccccc2CN3CCN(CC3)c4cc(ccc4)C	869
+C1CN(CCN1Cc2c(ccc([N+](=O)[O-])c2)F)C	870
+CC(C)(C)OC(=O)N1CCN(CC1C)Cc2c(cc([N+](=O)[O-])cc2)Cl	870
+FC(F)(F)c1n2nc(N3CCN(CC3)Cc4cc(Cl)ccc4)ccc2nn1	871
+O=S(=O)(N(Cc1ccc(cc1)Cl)CC(C)C)c2ccc(cc2)OC	872
+CC(C)(C)OC(COc1ccc(cc1Br)CN(S(=O)(=O)c2cc(Cl)c(cc2)F)C)=O	873
+FC(F)(F)c1ccc(Oc2cccc(CC(O)=O)c2)c(c1)CN(S(=O)(=O)c3ccc(cc3)Cl)C	873
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)N(Cc3cc(C)c(OCC(=O)OCC)cc3)CCCC	874
+C1COCCN1c2c3c(cc(CN4CCC(CC4)C(=O)NC)s3)nc(Cl)n2	875
+C1COCCN1c2c3c(cc(s3)CN4CCN(CC4)C)nc(Cl)n2	875
+FC(F)(F)S(=O)(=O)N1CCN(CC1)Cc2cc3c(c(N4CCOCC4)nc(Cl)n3)s2	876
+CC(C)(C)OC(=O)N(C)Cc1cc([nH]c1)-c2ccccc2F	877
+CC(C)(C)OC(=O)N(Cc1cn(S(=O)(=O)c2cnccc2)c3c1ccc(C(OC)=O)c3)C	877
+c1cc(ccc1-n2cc(cc2)CN3CCC(CC3)NC(COc4cccc(Cl)c4)=O)Br	878
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cc3nc(-c4c(cccc4)[N+](=O)[O-])sc3nc2	879
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(c3s2)Oc4ccc([N+]([O-])=O)cc4F)cc1)CCOC	880
+C1CN(CCN1c2ncc(cc2)C(OCC)=O)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3	881
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc(cc2-c3ccc(cc3)Cl)F	882
+C1CC(CCN1Cc2cnccc2)n3ncc4c(nc(nc34)Cl)N5CC(C)OC(C)C5	883
+CCN(N)C(Nc1sc(C)nn1)=O	884
+Clc1cc(ccc1)NC(=O)N2Cc3c(CC2)[nH]nc3C(N(OC)CC)=O	885
+O=S(=O)(N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O)C	886
+C1CN(CCC1Oc2cc(C)c(c(C)c2)-c3cc(ccc3)COc4cc5OCC(CC(OC)=O)c5cc4)S(=O)(=O)C	887
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1-c4nnc(o4)NC5CCN(CC5)S(=O)(=O)C	887
+O=S(=O)(N1CCC(CC1)COc2c3ccccc3nc(c2)C)CCC4C(NC(N4)=O)=O	888
+C1CCCC1CC(C(NC2CCCN(S(=O)(=O)c3ccccn3)CC2O)=O)NC(=O)c4occc4	889
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(C(C)CN4CCN(CC4)S(=O)(=O)c5nn(cc5)C)nc3)ncnc12	889
+O=S(=O)(N1CC(CNC(C(CC(C)C)NC(c2cc3ccccc3s2)=O)=O)C(O)C1)c4ccc(cc4Cl)F	890
+FC(F)(F)Cc1ccc(cc1)N2C(=O)C3(CCN(CC3O)S(=O)(=O)c4c(Cl)cccc4)CC2	891
+c1cc(ccc1C(NCc2sc(cc2)S(=O)(=O)N3CCC(CC3)=O)=O)Cl	892
+c1cc(ccc1F)-n2c3C=C4C(Cc3cn2)(COCC)CN(CC4)S(=O)(=O)c5ccc(Cl)nc5	893
+c1cc(ccc1)C(c2ccc(cc2)N3CCC4CN(C)CC34)=O	894
+c1cc(ccc1-c2ccc(cc2)C#N)N3C4C(CN(C(OCc5ccccc5)=O)C4)CC3	895
+c1cc(ccc1N2CCC(CC2)C(=O)N(OC)C)Cl	896
+c1cc(ccc1C(C)C(NC2CC2)=O)C3CCN(CC3)c4ccc(cc4C#N)OCC5CC5	897
+CC(C)(C)OC(N1CCCC2C1CN(C2)c3c(cc4C(=O)C(=CN(C5C(F)C5)c4c3Cl)C(O)=O)F)=O	898
+O=C1c2cc(c(cc2N(C=C1C(O)=O)CC)N3CCNC(COCCCCCCCCCCCC)C3)F	898
+C1CCC(C1)n2c3c(c4cnc(Nc5nnc(cc5)N6CCC7(CC6)OCC(NC7)=O)nc24)ccnc3	899
+c1ccccc1-c2nnc(N3CC4CCC(C3)N4C)cc2	899
+C1CC(CCN1c2c(cc3C(C(=CN(c3n2)C4CC4)C(O)=O)=O)F)Nc5ccc(N6C(=O)OC(CNC(C)=O)C6)cc5F	900
+C1C(CN1c2ccc3c(cc(cc3)F)n2)c4c(-c5cc(c(cc5)C(NC)=O)F)nccn4	901
+FC(F)(F)c1c(CNC(=O)C2CCN(CC2)c3ncnc(Cl)n3)cccc1	902
+C1CC(CCN1c2ncccc2Br)Nc3ccc(cc3)F	903
+C1C(CN1c2nc(-c3cc(ncc3)Cl)cc4c2ccnc4)C(O)=O	904
+C1CN(CCN1)c2c3ccccc3c([N+]([O-])=O)cn2	904
+FC(F)(F)c1ccnc(N2C3C(C(O)(c4ccccc4)CC2)CCCC3)c1	905
+CC(C)(C)OC(N1CCN(CC1)c2ccccc2N(S(=O)(=O)C)C)=O	906
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccccc2N(S(=O)(=O)C)C	907
+C1CN(CCN1c2ccnc3c2cccc3OC)CCN(C4Cc5cc(ccc5CC4)O)CCC	908
+C1C(CN1c2ncc3ccc(Cl)cc3n2)c4c(nccn4)-c5cc(c(cc5)C(NC)=O)F	909
+c1nc(ncc1F)N2CCN3C(CCC(C3)Cn4ccc5c4ccc(F)c5)C2	910
+c1cc(ccc1)C(C(OC)=O)C2CCN(CC2)c3ncccn3	911
+C1CC(CCN1c2ncncc2)C(N3CCN(CC3)Cc4ccccc4)=O	912
+C1C2CN(CC2CN1c3cc(N(C)C)ncn3)C(=O)c4c(cc(OC)cc4)-n5nccn5	913
+C1CN(CCN1c2ncnc3c2C(C)CC3O)C(N(Cc4ccc(cc4)Cl)CCN(CC)CC)=O	914
+c1(c2OCOc2ccc1Cl)N(C)c3nc(Cl)ncc3	915
+C1CN(CCC1Oc2sc3cc(ccc3n2)Br)c4nnc(C)s4	916
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(cc(c(c2OC)N)Cl)F	917
+CC(C)N1c2cccc(c2NC1=O)F	918
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(Nc3c2cc(C4CC4)cc3F)=O	919
+CCN1C(Nc2ccccc12)=O	919
+N1(c2cc(C)ccc2NC1=O)C(CCC)CC(OCC)=O	919
+FC1(F)C(C2CCN3CCNCc4c3c2ccc4)C1	920
+FC(F)(C)COc1ncc(cc1C)CN2Cc3c(ccnc3Cl)C2=O	921
+c1(cc(CN2Cc3c(Cl)nccc3C2=O)cnc1-n4nccc4)C	921
+c12c(nc3ccc(cc3c1Cl)C#N)CN(C2=O)CC	922
+CC(C)(C)OC(=O)NCCN1C(=O)c2c(C1)cc(cc2)Br	923
+Clc1c([N+]([O-])=O)cc2CN(C(c2c1)=O)C	924
+c1([N+]([O-])=O)ccc2C(=O)N(Cc2c1)C	924
+c12CN(C(=O)c1cccc2[N+]([O-])=O)CCOC	924
+c1cc(ccc1OC)CN2C(c3c(cccc3C2)I)=O	924
+C1(=O)N(CC)NCN1c2sc(C)nn2	925
+C1(=O)N(CC)NCN1c2sc(C)nn2	926
+C1CC(CCC1)c2sc(nn2)N3C(=O)N(C)NC3	927
+CC(C)(C)OC(NC(c1ncc(F)cc1F)C)=O	928
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(C3(C(C)C)CC(CC3)NC4C(COCC4)C)=O	929
+C1CCCC1NCCNC2CCC(CC2)CC(=O)NC3Cc4c(c(C(O)=O)ccc4)OB3O	930
+c1ccccc1COC(NC2CCN(C3CCC(NC(C)C)CC3NC(C)=O)C2=O)=O	930
+C1CC(CCN1c2ccc(cc2)C(=O)O)NCC(O)c3cc(NS(=O)(=O)C)c(O)cc3	931
+c1cc(ccc1CCC(NCCc2cc(OC)cc(OC)c2)=O)F	932
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCNC(=O)C)OC)OC	933
+c1cc(ccc1C(C)CNC(C)=O)C#Cc2ccc(cc2)OCCC	934
+c1cc(ccc1Br)C(CC(NC)=O)c2ccc(cc2)Cl	935
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)(NCc4ccccc4)C(=O)NC(C)C	936
+c1cc(ccc1-c2c(C#N)c3c(n2CC)cc(cc3)OC)OCCNC(=O)C	937
+c1cc(ccc1F)Cc2cnc3c(c2)N(C(C(C(=O)NCCOCC)=C3O)=O)CCNC(C)=O	938
+Fc1cc(cc(F)c1C)CCC(NCCCc2cc(C)nn2CC)=O	939
+C1(c2noc(-c3cc(Cl)ccc3)c2)COCCN1C(=S)NC	940
+S(c1c(C(=O)NC)cc(cc1)C)c2csc3ccccc23	941
+c1cc(ccc1)COc2cc(c(Br)cc2C(=O)NCCCOC)OCc3ccccc3	942
+C(NCCCSc1ncco1)(NCC)=C[N+]([O-])=O	943
+FC(F)(F)C(=O)NCCc1c(c(ccc1)Br)CC	944
+C1CCCC1Oc2cc(c(F)cc2Cl)NC(=O)C=3CCCCC=3C(NCCOC)=O	945
+c12c(C(=O)N(C1=O)CCN3C(=O)C(C(NCCOCC)=O)=C(O)c4c3cc(cn4)Cc5ccc(cc5)F)cccc2	946
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3CCCC(c4ccccc34)NC(CN(C)C)=O	947
+FC(F)(F)c1ccc(c(Cl)n1)C=CC(NCc2cc(F)c(cc2)NS(=O)(=O)C)=O	948
+C1CC(CCC1NC(C2CC2)=O)Oc3ccc(cc3)C(OCC)=O	949
+c1cc(ccc1CC(=O)O)CC(=O)NCCCc2c(nc(N)nc2C)NCCCCC	950
+c1ccccc1C(C(NC(c2ccc(cc2)OCC(C)CCC)CN=[N+]=[N-])=O)C	950
+c1ccccc1CC(NC(=O)Cc2c3c(ccc(O)c3)[nH]c2)c4n(Cc5ccccc5OC)ccn4	950
+ClC1(Cl)C(C(NCC)=O)(C)C1	951
+C1(COCC(C)N1CCNC(C2CCCCN2c3nc4c(cccc4)o3)=O)C	952
+CC(C)(CO)NC(=O)C(Oc1ccc2c(cc(Br)cn2)c1)SC	952
+FC(F)(F)COc1cnc(C(C)NC(Cc2ccc(cc2)-c3c(C4CC4)nccn3)=O)cc1	952
+C1CN(CCO1)CC(C)(C)NC(=O)Cn2nc(-c3cn(nn3)Cc4ccc(cc4)OC)cc2Cc5ccc(cc5)F	953
+CC(C)CCNC(CN1C=CC=C(C1=O)NC(=O)OCc2ccccc2)=O	953
+CC(C)(C)NC(=O)C1(CCC1)c2cc3c(nc(nc3C(N4Cc5ccccc5C4)=O)N)cc2	954
+CC(C)(C)OC(N(CC(NCC)=O)CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F)=O	954
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(c3ccc(c(c3)F)CNS(=O)(=O)C)C	954
+N(C)C(CC1N(C(=O)c2cc3NC(=O)COc3cc2)c4ccc(cc4OC1)Br)=O	954
+O=S(=O)(Nc1ccc2COB(c2c1)O)c3ccc(cc3CC(=O)NCC)OC	954
+c1c(F)c(c(cc1)F)Cc2c(N(CC(=O)NCC)S(=O)(=O)c3cc(OC)c(OC)cc3)c(OC)ccc2	954
+c1cc(ccc1S(=O)(=O)Nc2ccccc2Oc3ccc(Cl)cc3Cl)C(NCC(NCCCCC(N)C(OC)=O)=O)=O	954
+CC(C)C(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	955
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3c4ccccc4C(NC(=O)CCl)CCC3	956
+c1ccccc1-c2ccc(cc2)C(NC(=O)CNC(NCCCNc3ccccn3)=O)CC#N	957
+c1cc(ccc1)COC(N2CC(C(CC)C2)Nc3c(cnn4c3cc(c4)-c5cnc(cc5)CNC(COC)=O)C(=O)N)=O	958
+CC(C)(C)OC(NC(C(NCc1nc(c2c(cccc2)n1)N(c3ccc(cc3)OC)C)=O)C)=O	959
+CC1(C)OC(=O)Nc2c1cc(-c3n(c(cc3)C#N)CC(NCCc4ccc(OC)c(OCC)c4)=O)cc2	960
+c1cc(ccc1)COC(=O)NC(CCCCCC(NC)=O)c2oc(cn2)-c3cc4c(cccc4)nc3OC	960
+FC(F)(F)c1c(Nc2ccc(cc2)CNC(=O)C3(CCOC3)NC(=O)c4cc(cnc4)N)ccc(OC)c1	961
+C(N(C)c1n[nH]c2ccc([N+]([O-])=O)cc12)C(NC)=O	962
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C	962
+C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O	963
+C1CC(CCC1O)Nc2nc3c(c(ccc3cn2)C)OCC(=O)NC	964
+CC(C)(C)OC(=O)N1CCC(C(O)C1)NC(=O)C2(CCCCC2)NC(=O)c3ccco3	964
+CC(C)(C)OC(NCC(=O)NC(C(=O)NC)Cc1ccccc1)=O	964
+c1cc(ccc1OC)Cc2nc(O)c(C(C)NC(C(CCCc3ccccc3)C(C)O)=O)nn2	964
+CC(C)(C)C1CCC(CC1)C(NC(CC)c2nnc(-c3cc(ccc3)[N+](=O)[O-])nc2O)=O	965
+COc1cc2c3c([nH]c2cc1)CC(C(=O)NC)C3	965
+C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O	966
+CC(C)(C)OC(=O)N1CCC(C(O)C1)NC(=O)C2(CCCCC2)NC(=O)c3ccco3	966
+C1CC2(CCN1C(NCC)=O)Oc3ccc(C=CC(=O)OC)cc3C(C2)=O	967
+c1cc(ccc1-n2c(nc3c2ncnc3NC4CCCN(C(NCC)=O)C4)-c5c(cccc5)Cl)Cl	968
+c1ccccc1COc2cc(-c3c4c(N)ncnc4n(C5CC(C5)CNC(NCCCC)=O)c3)ccc2	969
+CC1CN(CC(C)O1)CCNC(=O)Nc2nc3c(cc(cc3)SC#N)s2	970
+FC(F)(F)c1nc(c(cc1)CNC(Nc2cc3CCCc3nc2)=O)N4CCC(CC4)C	971
+c1cc(ccc1F)-c2c3c(ncnc3sc2)OCCCOc4cc(ccc4)NC(=O)NCC	972
+C1CN(CCN1c2nccc(NC(=O)NCCC)c2)CC	973
+c1(NC(NCCCCC)=O)cc2C(=O)N(Cc3ccc(c(c3)Cl)Cl)C=Nc2cc1	973
+c1(cc2c(ccc(c2)NC(NCC)=O)nc1O)C(=O)O	973
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)NC(=O)NC)C	973
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(=O)OC	974
+CC(C)(C)OC(=O)NC(C)c1ccc(C(F)(F)F)nc1	975
+CC(C)(C)OC(=O)NC(c1cccc(c1)[N+](=O)[O-])C	976
+CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O	976
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	977
+c1cc(ccc1)COC(=O)NC(c2ccccc2OC)CCC=C	977
+C1CCCCCN1CCN2CCC(CC2)NC(c3[nH]c4cccc(OCc5cocc5)c4c3)=O	978
+CC(C)(C)c1[nH]nc(c1)C(=O)NC2CCCN(c3nc(Nc4ccc(cc4)N(CC)CC)c(C(=O)N)cc3)C2	979
+CC(C)(C)NC(c1cc2c([nH]1)ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)=O	980
+Cc1cc(cc(C)c1O)CNC(c2sc(c3c2CC4C(C)(C)C34)C)=O	981
+FC(F)(F)c1ccc(cc1)-c2ncc(C(=O)NCc3cccc(c3)OC(C)(C)C(OCC)=O)c(C4CC4)n2	982
+O(c1ccn2c(c1)nc(C)c2C(=O)NC)C	983
+C1CC(CCO1)CC(C(Nc2sc(C(=O)NC)cn2)=O)c3ccc(cc3)S(=O)(=O)C	984
+C1CN(CCC1NC(=O)c2c(Cl)cc3c(NC(CS3)=O)n2)CCSc4cnc5c(cc(cc5)OC)c4	985
+C1CN(CCC1NC(=O)c2cc(-c3sccc3)on2)CCSc4nc5cc(ccc5nc4)OC	985
+CC(C)(C)C(NC(c1nn(c2C3CC3Cc12)-c4cc(Br)ccn4)=O)CO	986
+Fc1cc(c(C)cc1F)C(=O)Nc2[nH]nc(C(NCc3oc(nc3C(=O)OCC)C)=O)c2	987
+CC(C)(C)NC(=O)c1cnn2ccc(nc12)N3CCCC3c4cc(ccc4F)F	988
+[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12	989
+CC(C)C1C2C3C(C1CC2)CCCC3NC(=O)c4c(F)n(nc4C(F)F)C	990
+FC(F)(F)C(CC(C)(C)c1c(OC)ccc(F)c1)(CNC(=O)c2cnn(c2N)-c3ccc(cc3F)F)O	991
+FC(F)(F)c1cc(n(n1)-c2c(cccn2)Cl)C(Nc3c(C(=O)NC)cc4c(nsn4)c3Cl)=O	992
+C1CC(CCN1CC(c2ccc3c(COC3=O)c2C)O)(C)NC(c4ccc(-n5nnnc5)nc4)=O	993
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(cn3)C(=O)NC(CC)CO)F	993
+c1ccccc1CC(NC(=O)c2cccnc2-n3cc4ccccc4n3)C(O)C(=O)OCC	994
+[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12	995
+C1CN(CCN1c2ccc(C(NC)=O)cn2)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3	996
+C1CN(CCO1)Cc2ccn(-c3c(C(=O)NC(Cc4ccccc4)C(C(=O)N)O)cccn3)n2	996
+CC(C)(c1ccc(cc1)CNC(=O)c2c(Oc3ccc4nsnc4c3)nccc2)O	996
+FC(F)(F)c1n(C)c2cc(ccc2c1C(NC)=O)OC	996
+c1cc(ccc1)C(CC)NC(c2c3n(cc2)CCOC3)=O	996
+C1CN(CCC1CNc2[nH]c3cccc(C(=O)NC(C)C)c3n2)Cc4cc(Cl)cc(c4O)Cl	997
+Clc1ccc(c(F)c1)-c2c(F)cncc2C(=O)NC	997
+O=C(NC1c2c(cccn2)C(N=[N+]=[N-])C(c3c(c(ccc3)F)F)CC1)c4cnc5c(c4)CC6(c7cccnc7NC6=O)C5	997
+c1cc(ccc1-c2oc3cc(c(Br)cc3c2C(=O)NC)N(C)S(=O)(=O)c4ccccc4)F	998
+c1cc(ccc1F)-c2oc3c(c4c(OC(C)(C)C4)cc3)c2C(=O)NC	998
+FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(Oc3cc(cnc3N)C(NC)=O)C2)=O	999
+FC(F)(F)C1(c2c(N(C(=O)N1)Cc3ccc(cc3)OC)ccc(c2)Br)CNC(c4ccc(cc4)F)=O	1000
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(Cl)cc(cc2)Cl)=O)N3CCOCC3	1001
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(cc4C)C(NC)=O	1002
+c1c(ccc(Oc2cc(C(NC)=O)ccc2[N+]([O-])=O)c1F)F	1002
+c1cc(ccc1-c2[nH]c(-c3ccccn3)c(-c4ccc5c(c4)OCO5)n2)C(NC)=O	1002
+c1cc(ccc1C#CCc2ccc3C(C)(C)CCC(C)(C)c3c2)C(=O)NCC	1002
+c1cc(ccc1CCCCOCCCCBr)C(NCc2c(CC)nc3n(ncc3c2NC4CCN(CC4)C(=O)N)CC)=O	1002
+c1ccccc1C(c2ccc(cc2)C(=O)NCCCCCCCCCCC(O)=O)=O	1002
+CC(C)(C)OC(=O)COc1c(Cl)ccc(c1)C(NCC(O)CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3C)=O	1003
+CC(C)(C)OC(NC(c1c(c(c2c(n1)ccc(c2)F)C(NC(C)C)=O)-c3ccccc3)C)=O	1003
+CC(C)CC(Sc1ccc(cc1)Br)c2ccc(cc2)C(NCCC(=O)OC)=O	1003
+Cc1nc(C(N2CC3C(C2CNC(=O)c4c5C=CCOc5ccc4)C3)=O)c(s1)-c6cccc(c6)C	1003
+c1c(cc(cc1)OC)CCNC(c2cc(cc(c2)-c3ccccc3OC)-n4nnnc4)=O	1003
+c1cc(ccc1)COC(N2CCC(CC2)n3ccc4ccc(cc34)C(=O)NC)=O	1003
+c1cc(ccc1C)-c2cc(cc(-n3nnnc3C)c2)C(=O)NC(COC)C	1003
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(NCCCCCCC(OC)=O)=O	1003
+C1CC(CCC1(C)C)NC(c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)=O	1004
+CC(C)(C)OC(=O)N(C)C(CNC(=O)c1cccc(C(OCCNC(OC)=O)c2cc(Cl)ccc2)c1)CC3CCCOC3	1005
+CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12	1005
+c1cc(ccc1C)-c2cc(C(NC(c3cnc(cc3)OC)CO)=O)cc(C(=O)N(CC(C)C)C)c2	1005
+C1CC(CCN1C(=O)OCC)NC(=O)c2c(Oc3c(cc(Cl)cc3)Cl)cccc2	1006
+c12ccc(cc1n[nH]c2)C(NC)=O	1006
+CC(C)(C)OC(N1CC(CNC(=O)c2ccccc2)CC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C1)=O	1007
+CC(C)(C)OC(N1CCc2n(CCNC(=O)c3ccccc3)c4ccccc4c2CC1)=O	1007
+c1cc(ccc1CCCCOCCCCBr)C(NCc2c(CC)nc3n(ncc3c2NC4CCN(CC4)C(=O)N)CC)=O	1007
+FC(F)(F)C(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)(CNC(=O)c3c(cccc3F)Cl)O	1008
+CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCCNC(=O)c3cccc(F)c3)C4CCC4	1009
+C1CC1(c2ccc3c(cccn3)c2)c4nnc5ncc(-c6ccc(c(F)c6)C(NCC)=O)nn45	1010
+C1CC2CCN1CCN2c3ncc([N+](=O)[O-])c(C(=O)NCC(C)(C)CO)c3	1010
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	1010
+CC(C)(C)OC(=O)NCC(c1cc(cc(Br)c1)F)NC(c2c(F)cc(-c3c(ncc(C4CCOCC4)n3)N)cc2)=O	1010
+CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1	1010
+CC(C)(C)OC(N(c1ccc(cc1)C2CCCCC2)Cc3ccc(cc3)C(=O)NCC(C(=O)OC)O)=O	1010
+O=S(=O)(c1cccc2nsnc12)Nc3c(C(=O)NCC(c4cc(Cl)c(cc4)Cl)C)cc(Cl)cc3	1010
+CC(C)CCNC(=O)n1c2c(cc(Oc3cc(ncc3)N)cc2)cc1	1011
+O=C(n1ccc2cc(Oc3ncnc(N)c3)ccc12)NC	1011
+o1c(-c2csc(c2)Cl)cc(C3CC4CC4N3C(=S)NC)n1	1012
+C1C(CO1)(C(c2ccc(C)o2)NC3=C(Nc4cccc5NC(=O)Oc45)C(=O)C3=O)C	1013
+c1cc(ccc1C2CC(CNCCO)CCC2)Cl	1014
+CCC1(CC)c2c(N(CCC(C)(C)NCC(c3c4ccc(nc4cc(OCc5ccccc5)c3)O)O)C(=O)O1)cccc2	1015
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F	1016
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br	1017
+c1ccccc1C(c2ccccc2)N3CC(C3)(NCc4ccccc4)CNC(C)C	1017
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br	1018
+c1ccccc1C(c2cc(OC)cc3c2cc[nH]3)CCNC	1018
+C1CC(CCN1c2ccccc2OC)CNCC3COc4ccccc4O3	1019
+Fc1cc(cc(F)c1)OCCNC	1019
+c1(ccccc1OC)OC(CNCCCc2c3cc(ccc3[nH]c2)F)C	1019
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(-n4nnc(CCNCCC)c4)c3)ccc1F)F	1019
+c1cc(ccc1CCNCCCOC)-c2nc(c(nc2)N)C(=O)Nc3cccnc3	1019
+c1cc(ccc1Cl)CCNCC(O)C	1019
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F	1019
+c1ccccc1C(n2ccc3ccccc23)CCNC	1019
+c1cc(ccc1CCNCCCOC)-c2nc(c(nc2)N)C(=O)Nc3cccnc3	1020
+C(CC(NCCC)CC(=O)N)CCCCCCCCCCC	1021
+C1CCCCC1C2(COC2)CNC	1022
+c1cc(ccc1CCNCC2Cc3c(CC2)cccc3)OC	1022
+C1CN(CCC1NCc2cc(c(cn2)OC)C)CCN3c4c(C=CC3=O)ncc(c4)OC	1023
+C1CN(CCC12CC(C(C2)NCc3nc4c(SCC(N4)=O)cc3)O)c5ccnc6ccc(nc56)OC	1024
+CC(C)(C)n1nc(cc1CC(C)C)CNCCN2CCN(CC2)c3c(C)cc(C)cc3	1024
+c1cc(ccc1)CNCc2nc(nc(N3CCOCC3)c2)Cl	1025
+O=S(=O)(n1cc(c(F)c1-c2ccccc2)CNC)c3cnccc3	1026
+C1CC(CCN1CCSc2nc3cc(OC)ccc3nc2)NCc4cc5OCCOc5cc4	1027
+FC(F)(F)c1cc(ccc1CNC2CCN(CC2)c3c4c(cccc4)c(nn3)-c5ccnn5C)F	1027
+C1CC(CCC1)N(C)C(CCNCc2cc(ccc2[N+](=O)[O-])C(=O)c3ccccc3)=O	1028
+O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCNCc1ccccc1	1029
+c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1	1030
+c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1	1031
+c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2	1032
+O=S(=O)(C)c1c(ccc(Br)c1)CNC	1033
+c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2	1033
+c1cc(ccc1CNC)C(=O)c2ccccc2	1034
+FC(F)(F)c1c(ccc(c1)C(=O)OC)CNC	1035
+c1ccccc1SC(CNC=O)c2c3ccccc3ccc2OC	1036
+c1cc(ccc1)C(C(c2cccc3ccccc23)O)CNC	1037
+FC(F)(F)c1cc(n(n1)C)Oc2cccc(CNC)n2	1038
+c1cc(ccc1)CN2CC(NC)C(c3cc(c(Cl)cc3)Cl)C2	1039
+c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC	1040
+C1CNCCC1=C(c2cccnc2)c3ccc(cc3)F	1041
+c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC	1042
+C1CCCC1N2C(CC)C(=O)N(C)c3cnc(nc23)-c4c(cncc4)CNS(=O)(=O)C	1043
+O=S(=O)(NCCC1CCN(CC1)c2c3sc(C(N)=O)cc3nc(C)n2)C	1043
+O=S(=O)(NCCOCCOc1ccc2c3c(c(nc2c1)N)nc(CCC)s3)C	1043
+C1CCCCC1S(=O)(=O)NCCc2cc(cc(CCC(OCC)=O)c2)Cc3cccnc3	1044
+c1cc(ccc1)CS(=O)(=O)NC2CCC(CC2)c3nc(c([nH]3)-c4cc5OCOc5cc4)-c6nc(ccc6)C	1045
+O=S(=O)(c1cccc(-c2nc(nc(NCCc3ccc(cc3)OC)c2)OC)c1)NCC	1046
+CC1(C)C(N(c2ccc(OCCCNS(=O)(=O)c3ccccc3[N+]([O-])=O)cc2N(C)C1=O)CC)=O	1047
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCC(O)CN2c3ccccc3CCc4c2cccc4	1048
+O=S(=O)(c1ccc(cc1)O)NCC(N2CCN(CC2)C(OCc3ccccc3)=O)C(OC)=O	1049
+CC(C)(C)OC(=O)N1C(CC(Nc2ccc(cc2[N+](=O)[O-])Br)C1)CO	1050
+FC(F)(CNc1ccc(C#N)c(c1F)CC(=O)OCC)c2ccc(cn2)C	1050
+c1cc(ccc1-c2cnnc(NCCO)c2)F	1051
+CC(C)(C)OC(=O)NC1C(Nc2c(cc(C#N)c(Cl)n2)F)CCN(C(C)=O)C1	1052
+O=C(c1c(ccc(C)c1)-c2cnn(C)c2)N3CCCC(C)C3CNc4ccc(cn4)C#N	1052
+Clc1ccc(c(Cl)c1)-c2c(c(NC(CCC)C)ncc2)[N+]([O-])=O	1053
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCNc4ccc(-n5ccnn5)cn4)C3	1054
+CC(C)(C)OC(NCCC(c1cc(Cl)ccc1)Nc2nc(-c3n4ccnc(c4nc3)NCCN5CCOCC5)ccc2)=O	1055
+C1CN(CCO1)c2ccc3N(C(=O)C)C(C(C(Nc4ncc(cc4)C#N)c3c2)C)C5CC5	1056
+n1c(-c2ncccc2)c(cc3ccsc13)C(C)Nc4c5[nH]cnc5ncn4	1057
+CC(C)(C)OC(NCCNc1c2c(ncc1[N+](=O)[O-])cc(OCc3ccccc3)cc2)=O	1058
+CCNc1c(C#N)c(O)nc(C)c1	1058
+c1cc(ccc1)-c2cc(NC(C)CCCN(CC)CC)c3c(cccc3)n2	1058
+CC(C)c1nc(O)c(c(NCC)c1)[N+](=O)[O-]	1059
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nc(C)no4)c2-c5ncccc5)F	1060
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nnc(o4)C)c2-c5ncccc5)F	1060
+CC(C)(Nc1scc(n1)-c2ccc(Br)cc2F)CO	1061
+CC(C)(C)OC(N1C(CCC(C1)C)CNc2ncc(cn2)C(F)(F)F)=O	1062
+C1CC(CCC1C(=O)OCC)Nc2nccc(-n3ccc4c3cccc4Br)n2	1063
+C1CC1c2cc([nH]n2)Nc3c(Cl)cnc(NC(c4ccc(F)cn4)C)n3	1064
+CC(C)(C)OC(=O)NCCC(c1ccccc1)Nc2nccc(n2)-c3n[nH]c4nc(NCCN5CCOCC5)ncc34	1065
+FC(F)(F)Cc1sc2ncnc(NCC3CCN(CC3)C(=O)OC(C)(C)C)c2c1	1066
+C1CC(CCN1Cc2ccc(OC)c(OCC)c2)Nc3nc(nc(c3)C)N	1067
+C1CC1N2C(C(Nc3c(-c4nc(on4)C)c(ncn3)N)CC)=Nc5cccc(Cl)c5C2=O	1067
+c1ccccc1-c2c(C(NC)=O)c3c(nc2C(Nc4c(c(N)ncn4)C#N)C)cccn3	1067
+FC(F)(F)C(C1CCC(CC1)Nc2ncnc(c2Cl)CC)O	1068
+c1ccccc1-c2c(nc(SC)nc2)NC	1069
+CC(C)(C)OC(=O)Nc1c2c(ncn1)n(-c3cccc(c3)NC)c(c2-c4ccc(cc4)Cl)Cl	1070
+CC(C)(C)OC(Nc1c2c(ncn1)n(-c3ccc(cc3)NC)nc2I)=O	1070
+CC(C)(C)[Si](C)(C)OCc1n(C)c2c(cc3C(CCCCCc3c2)=NCc4ccc(OC)cc4OC)c1	1071
+O=S(=O)(c1c([N+](=O)[O-])cccc1)Nc2ccccc2C=NC(C)CO	1072
+O=C(NNc1ccc(cn1)F)N2C(C)CCCC2	1073
+c1(C(=O)NCC2N(CC2)C(=O)CO)cc(F)c(nc1NCCc3cccc(F)c3)-c4cnn(C)c4	1074
+FC(F)(F)c1ccc(cc1)-c2nnc(N3CCN(C(C)C3)C(N4CCC(CC4)(F)F)=O)c5c2ccnc5	1075
+FC(F)(F)c1ccc(cc1)NC(N2CCCC2c3c(Cc4ccc(cc4)Cl)c(C)no3)=O	1076
+FC(F)(F)C(=O)NCC1N(C(c2c(sc(N)n2)-c3cc(F)ccc3)=O)C4CCC1C4	1077
+c1cc(ccc1-c2ccc(cc2)C3C(CCN4C(C)CCC4)C3)C#N	1078
+C1(N(CCOC1)Cc2cc(c(Br)cc2F)F)C	1079
+CC1(C)COCC(C)(C)N1N	1080
+CC1(C)N(N)CCN(C1)S(=O)(=O)C	1081
+CC(C)(C)OC(=O)N(C(C)C(NC(C(=O)N1CCC2N(CC(C(=O)OC)C12)S(=O)(=O)C)C3CCCCC3)=O)C	1082
+C1C2CC3CC1CC(C2)(C3)NC(N4CC5(C4)CCN5S(=O)(=O)c6ccc(cc6)Cl)=O	1083
+O(CC)c1c(c(ccc1)F)C2CC(C(=O)N2Cc3cccc(-c4nc(Cl)cs4)c3)C	1084
+FC(F)C1(c2cccc(c2F)F)COCC(=N1)N	1085
+c1ccccc1COC(N2CCCC(NC(c3ccccn3)=O)C(O)C2)=O	1086
+C(C)OC(N1CCc2c(ccc3CCC(OC)c23)CC1)=O	1087
+C1CN(CCN1c2ccc(cc2F)C(C)OC)C(=O)c3cc(S(=O)(=O)C)ccc3N4CCCCC4	1087
+O1CCOC12CCC(CC2)(OC)c3c(Cl)cccn3	1088
+c1ccccc1Cc2cccc(C(=N)OC)n2	1089
+c1ccccc1CC(C(OC)=O)O	1090
+CC(C)OC(Cc1c(cc(cc1)[N+](=O)[O-])[N+]([O-])=O)=O	1091
+c1cc(ccc1F)C(c2ccc(cc2)F)(CCCBr)C(OCC)=O	1091
+O(C)C(Cc1cc(c(Cl)cc1Cl)OC)=O	1092
+C(OCCOCC=CCBr)COCCOCCC(=O)OC	1093
+c1ccccc1COc2ccc3n(ccc3c2)CCC(OC)=O	1094
+CC1(C)C2CC1C(C(C(OC)=O)C2)C	1095
+c1cc(ccc1F)N2CCN(CC2)C(OCC3CN(C)CCO3)=O	1096
+c1cc(ccc1N2CCN(CC2)C(OCCN(C)C)=O)[N+]([O-])=O	1096
+FC(F)(F)C(C)OC(N1CCC(CC1)C2(Oc3cnc(cc3C2)-c4ccc(cc4)S(=O)(=O)C)C)=O	1097
+C1CN(CCO1)C(=O)OCc2cnc(C)cc2	1098
+c1cc(ccc1-c2nocc2NC(=O)OC(c3c(cccc3)Cl)C)CCCl	1099
+C(C)OC(c1c(O)c2c(c(C)cc(OC)c2)nc1)=O	1100
+CC1(C)CCSc2ccc(cc12)C#Cc3ncc(cc3)C(=O)OCC	1101
+C(C)C(CC)CC(OC(c1ccc(cc1)OC(=O)C)=O)C	1102
+S1c2cccc(c2C(c3c1ccc(C)c3)=O)C(=O)OCCCCCCCCCCCC	1102
+c1(nccc(c1)C(=O)OC)N2NC=C(c3cnccc3)C2=O	1103
+C1CCC(C1)C2N(c3ccc(C#N)c(Cl)c3)N=C4C2CCc5cc(C(OCCCCCCC)=O)ccc45	1104
+C1(=O)c2ccc(cc2Sc3ccc(cc13)C)C(=O)OC	1105
+C1COC(O1)(C=CC2C3C(OC(=O)C3)CC2OC4OCCCC4)COc5cc6c(cccc6)cc5	1106
+Clc1cccc(OCC(F)CCC2C(CC3C2CC(O3)=O)OC4OCCCC4)c1	1107
+c1ccccc1C2NCCOC2	1108
+c1cc(ccc1CCCOC)Cl	1109
+C1=CC(Br)=CC(N1CC(COC)C)=O	1110
+CC(C)(C)OC(N1C(COC)CN(C(=O)c2cc(OC)c(c(c2)OC)OC)CC1)=O	1110
+O(CCc1cc([N+]([O-])=O)ccc1Br)C	1110
+CN(C)c1cc(COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4)ccc1	1111
+CC(C)(C)OC(N1CCCC(Cc2c(F)cccc2)(C1)COC)=O	1112
+C(OCc1ncccc1)c2cc(ccc2)-n3cnc(C(=O)OCC)c3	1113
+c1(cccnc1Br)COC	1114
+c1ccccc1COC(N(C)CC(=O)N(C)c2ccc(cc2)COC)=O	1115
+c1ccccc1CN(Cc2ccccc2)c3c(COC)c([N+](=O)[O-])ccc3	1116
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(cc(c3)Br)F)=O	1117
+c1(COC)c(F)ccc([N+]([O-])=O)c1	1118
+c1(cc(cc(C)c1[N+](=O)[O-])COCC)C	1118
+c1ccccc1C(c2ccc(cc2)COCCN(CC)c3ccccc3)=O	1119
+c1cc(ccc1)COC(=O)N2CC(COC)(CC2)F	1120
+c1cc(ccc1N(C)CCOC)C(OCC)=O	1121
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(CC(CC2)OS(=O)(=O)C)F	1122
+CC(C)C(C(C)C)(OOC(CN=[N+]=[N-])COS(=O)(=O)C)P(O)(O)=O	1122
+CC(C)(OC1OCCCC1)c2c(cccc2)CCC(c3cc(ccc3)C=Cc4nc5c(ccc(Cl)c5)cc4)OS(=O)(=O)C	1123
+O=S(=O)(OCCc1ccc(cc1)CCCCCCCC)C	1124
+c1cc(ccc1NC(=O)C)CCCCOS(=O)(=O)c2ccc(cc2)C	1125
+O=S(=O)(C)OCCc1cnn(c1)-c2nccc(C#N)c2	1126
+CC(C)(C)c1c(cc([N+](=O)[O-])cc1)OC	1127
+C(CCN(C)c1c(cnc(Cl)n1)F)Oc2cc3c(n(CC(OC)=O)cc3)cc2	1128
+CC(C)(C)OC(NC(C(=O)OC1CCCC1)CCOc2cccc(c2)[N+]([O-])=O)=O	1128
+C1CC(CCC1C2CCC(CC2)COc3cccc(F)c3F)C=C	1129
+c12c(cccc1)ccc(c2)OCCCCCCCCCl	1129
+c1cc(ccc1OCC(C#N)(CCCC)C)O	1129
+CC(C)N1N=C(Br)c2ccc(OC)cc2C1=O	1130
+CC(C)N1N=C(Br)c2ccc(OC)cc2C1=O	1131
+FC(F)(F)Cn1nc(c(c1)-c2ccncc2)-c3ccc(cc3)OCc4nc5c(cccc5)n4CF	1132
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc3CC4(CCN(CC4)Cc5ccccc5)Cc3c2)=O	1133
+C1CC(CCN1C(C)C)Oc2nc3CCN(Cc3cc2)Cc4ccccc4	1134
+FC(F)(F)C(Oc1nncc2cc(Br)ccc12)C	1135
+c1(-c2cc(cc(-c3ncccc3)n2)OCC)ncccc1	1136
+c12c3c(ccc1cccn2)c(cc(C)n3)OCC	1136
+C1CC1CCNc2nc3c(c(N)n2)nc(OC)n3C4CCCCO4	1137
+FC(F)(F)c1c(Br)c(ncn1)OCC	1138
+c1cc(ccc1-c2ccc3c(c(OCC)ncn3)c2)F	1138
+C(C1CC1c2ncc(OC)cc2)Oc3nc(C)ncc3Br	1139
+c1cc(ccc1)CN2CC(OCC2)C3(OCCO3)C	1140
+O=S(=O)(C)OCCC1(C(=O)N2CC=CC(C(OC)=O)N2C1=O)C	1141
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)C)CC1C(=O)OC	1142
+CC(C)(C)OC(N1CC(c2ccccc2)CC1COS(=O)(=O)C)=O	1143
+FC(F)(F)c1cccc(N2C(c3c(non3)NCCOS(=O)(=O)C)=NOC2=O)c1	1143
+CC(C)(C)OC(=O)C(C(CCc1ccc(cc1)I)OCc2ccc(cc2)OC)CCOS(=O)(=O)C	1144
+O=S(=O)(OCCN1C(c2cc(Br)sc2C1(C)C)=O)C	1144
+O=S(=O)(OCCOCCCCCCN1CC(OC1=O)c2cc3c(cc2)OC(C)(C)OC3)C	1144
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCOS(=O)(=O)C	1144
+c1cc(ccc1C(CCOS(=O)(=O)C)n2cncc2)C#N	1144
+O=S(=O)(C)OCCCn1cnc2ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)cc12	1145
+O=S(=O)(OCCC1n2cc(I)cc2C(=O)NC1)C	1146
+c1(cc(cc(F)c1)C(C2CCN(CC2)S(=O)(=O)C)CC(OC(C)C)=O)F	1147
+c1cc(ccc1F)C(NC2CCN(CC2)S(=O)(=O)C)=O	1148
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(ccc(F)c2Cl)F)=O)C3CCCCN3C	1149
+FC(F)(F)c1cc(ccc1C#N)-n2nnnc2CN3CCN(CC3)S(=O)(=O)CCC	1149
+O=S(=O)(CCC)N1CCC(CC1)(c2ncccc2)C#N	1149
+C1CC(CCN1S(=O)(=O)CC)Nc2nc(N)c(C(=O)c3c(F)cccc3)cc2	1150
+C1CN(CCC1c2c3cc(-c4c(cc(F)cc4)F)cc(c3[nH]c2)C(N)=O)S(=O)(=O)CC	1150
+FC(F)(F)COc1ccc(cc1)N2CCN(CC2)S(=O)(=O)C	1150
+O=S(=O)(N1CC(Nc2nc(-c3cnc4ccc(cn34)C#N)ncc2)CCC1)CC	1150
+CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCN(CC3)S(=O)(=O)CC)cn2)c4ccccc14	1151
+C1CN(CCC1Oc2sc3cc(C4=CCN(S(=O)(=O)CCC(=O)OC)CC4)ccc3n2)c5nnc(C)s5	1152
+O=S(=O)(CC)N1CC=C(c2nc(c(N)nc2)-c3noc(n3)-c4ccccc4)CC1	1153
+CC(C)(C)OC(=O)NC(CCNS(=O)(=O)C)c1ccc(cc1)Cl	1154
+CC(C)(C)OC(NC1CCc2c(cc(cc2)CNS(=O)(=O)CCC)C1Cc3ccccc3)=O	1155
+C1CC(CCC1NC(OCc2ccccc2)=O)CNS(=O)(=O)C(C)C	1156
+O=S(=O)(CC)Nc1c(F)c(C(=O)c2c[nH]c3ncncc23)ccc1	1157
+O=S(=O)(Nc1ccc(C(C)=O)cc1Sc2ccc(F)cc2F)C	1157
+c1ccccc1P(c2ccccc2)(=O)c3ccc4c(cccc4)c3-c5c6c(ccc5NS(=O)(=O)C)cccc6	1158
+C1CC1(CC=C)S(=O)(=O)Nc2c(c(F)c(cc2)F)Nc3c(cc(I)cc3)F	1159
+C1(c2ccccc2C(=O)N1CCCOc3ccc(cc3)NS(=O)(=O)C)=O	1160
+O=S(=O)(C)OCCOc1ccc(-c2ccccc2F)nc1	1161
+C1CCCCC1C(c2n(-c3ccc(cc3)Cl)nc4CCCc24)COS(=O)(=O)C	1162
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COS(=O)(=O)C)=O	1163
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COS(=O)(=O)C)=O	1164
+FC(F)(F)c1c(c(Cl)ccc1)COS(=O)(=O)C	1165
+FC(F)(F)c1cc(c(COS(=O)(=O)C)cc1)Oc2cc(C#N)ccc2	1166
+O=S(=O)(C)OCCOc1ccc2c(ccnc2c1)-c3c4n(nc3-c5ccccn5)CCC4	1167
+c1cc(ccc1)COc2ccccc2OCCOS(=O)(=O)C	1167
+O=S(=O)(CC)Oc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C	1168
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(CSC)C3CCCCC3	1169
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(CSC)C3CCCCC3	1170
+CC(C)(C)OC(=O)NC(CSC)C	1170
+c1cc(ccc1O)CSCCC(=O)OCC	1171
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)c2c(ccc(C(OC)=O)n2)F	1172
+CC(C)(C)[Si](C)(C)OCCOCc1nccs1	1173
+CC(C)(C)[Si](C)(C)OCCCc1ncsc1	1174
+CC(C)(C)[Si](C)(C)OCc1[nH]c2ncccc2c1	1175
+CC(C)(C)[Si](C)(C)OCc1n(c2ccc(cc2c1)Cl)CCCSC	1175
+CC(C)(C)[Si](C)(C)OCc1cc(Cl)ncc1	1176
+CC(C)(C)[Si](C)(C)OCCOCc1nccs1	1177
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)-c2ccccc2[N+]([O-])=O	1178
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)Cc2c(sc(c2)Br)Cl	1178
+CC(C)[Si](C(C)C)(C(C)C)OC1=CCC(CC1)c2c(cc(c(F)c2)F)F	1179
+CC(C)[Si](C(C)C)(C(C)C)OCC(COCc1ccc(cc1)Br)C	1180
+CC(C)[Si](C(C)C)(C(C)C)OCC1(CCCCC1)N	1181
+C(c1sc2c(cc(Cl)cc2)c1CC)(=O)C	1182
+CN(C)C=CC(c1c(c2cc(ccc2s1)Cl)CC)=O	1183
+c1cc(ccc1Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O)C#N	1184
+c1ccccc1COC(N2Cc3oc(-c4ccccn4)nc3CCC2)=O	1185
+c1(ccc2Cc3c(-c2c1)n(C)c4ccccc34)OC	1186
+Clc1cc2c(c(sc2cc1)-c3ccnc(n3)N)CC	1187
+CC(C)=CCCc1cc(n[nH]1)C(OCC)=O	1188
+c1cc(ccc1CCc2cc(C(OCC)=O)[nH]n2)OC	1189
+c1cccc(c1-c2noc(c2)CO)F	1190
+c1cc(ccc1-c2noc(C(C)O)c2)F	1191
+c1cc(ccc1)C(c2ccccc2)n3c4ccc(Cl)cc4cc3CCNS(=O)(=O)Cc5cc(c(cc5)Cl)Cl	1192
+CC(C)(C)OC(=O)N(CCCc1cc2cc(ccc2[nH]1)C(Nc3ccc(c(OC)c3)OC)=O)C	1193
+FC(F)(F)c1c(cc2cc([nH]c2c1)C(CSCC)(C)O)C#N	1194
+CC(C)c1cc(Cl)nc(-c2ccc(cc2)Cl)n1	1195
+c12[nH]c(C)cc1cc(cn2)F	1196
+c1cc(ccc1S(=O)(=O)OCC(C)(C)CS(=O)(=O)N)C	1197
+c1cc(ccc1C)S(=O)(=O)OCCCCCC2CCN(CC2)C(=O)OCc3ccccc3	1198
+c1cc(ccc1S(=O)(=O)OCC(F)(F)c2ncccc2)C	1198
+CC(C)(CCCOS(=O)(=O)c1ccc(cc1)C)NC(=O)OCc2ccc(cc2)[N+]([O-])=O	1199
+Brc1ccnc2c1cc(C)[nH]2	1200
+CC(C)c1ccc2nc(cn2n1)C	1201
+CC(C)c1ccc2nc(cn2n1)C	1202
+c1cc(ccc1CCNc2ncc(c(O)n2)Cc3cnc(nc3)OC)Oc4ccc(cc4)Cl	1203
+c1cc(ccc1F)Oc2ccc(cc2)CCNc3ncc(c(O)n3)Cc4cnc(nc4)OC	1203
+n1c(ncc(c1O)Cc2ccc(nc2)OC)NCCSCc3nc[nH]c3C	1204
+n1c(ncc(c1O)Cc2ccc(nc2)OC)NCCSCc3nc[nH]c3C	1205
+FC(F)(F)c1c(F)ccc(c1)Oc2c(cc(CSc3nc(O)c(cn3)Cc4cnc(nc4)OC)cc2)C#N	1206
+FC(F)(F)c1c(F)ccc(c1)Oc2c(cc(CSc3nc(O)c(cn3)Cc4cnc(nc4)OC)cc2)C#N	1207
+n1c(N[N+]([O-])=O)ncc(c1O)Cc2ccc(nc2)OC	1208
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(cc3Oc4ccccc4)Br)sc2	1209
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(cc3Oc4ccccc4)Br)sc2	1210
+ClC(Cl)(Cl)c1onc(Cc2ccccc2)n1	1211
+C1CC(CCN1c2nc(on2)C(C)C)CCCO	1212
+c1c(F)c(c(cc1)F)C(=O)Nc2cccc(-c3c(sc(C(C)C)n3)-c4ccnc(n4)Cl)c2	1213
+c1ccccc1-c2nc3cc(ccc3cc2)-c4nc(n5ccnc(Cl)c45)C	1214
+FC(F)(F)c1cc(-c2[nH]c(C3CCC(CC3)CNC(OCc4ccccc4)=O)nc2)ccc1	1215
+c1ccccc1-c2nc([nH]c2)CC3COCc4ccccc4CN3S(=O)(=O)c5c6c(ccc5)cccn6	1216
+c1cc(ccc1)-c2csc(CC3(CCC3)COCc4ccccc4)n2	1217
+CC(C)(C)OC(=O)NC(C(c1onc(-c2c(Cl)cc(cc2)NS(=O)(=O)C)n1)C)C(=O)N3CCCC3	1218
+c1(-c2noc(n2)C)cc(N)c(C)cc1	1219
+CC(C)(C)c1cc(cc2c1OCC2(C)C)-c3noc(C)n3	1220
+[nH]1c(CCCCCCC(OC)=O)nc2cc(ccc12)Br	1221
+c1cc(ccc1)COC2CC(C2)c3[nH]c4c(cccc4)n3	1222
+CN(C)CCCn1c(nc2cc(C)ccc12)CCCCCCCCCCCCCCCCC	1223
+CC(C)(C)OC(N1C2C(C2)CC1c3[nH]c4c(n3)ccc5cc(ccc45)Br)=O	1224
+C1CCC(C1)Oc2cc(ccc2OC)Cc3nc4cccc(c4o3)[N+](=O)[O-]	1225
+c1(nc2c(c(Cl)c1)cc(cc2)Br)C	1226
+FC(F)(c1nc2c(cccc2Cl)c(n1)Cl)c3ncc(F)cc3	1227
+FC(F)(F)c1c(-c2cc3c(cc2)c(nc(C)n3)O)nccc1	1228
+c1cc2c(c(Cl)cc(n2)C)cc1I	1229
+CC(C)(C)OC(N(CCCc1ccc2CCCNc2n1)CC(=O)OCC)=O	1230
+c1cc(ccc1F)-c2noc(Cn3c(CCC)nc4cnc5cccnc5c34)c2	1231
+c1ccccc1C(CCCCCn2c3c4ccccc4ncc3nc2CCCC)=O	1232
+c1ccccc1OCCn2c(CCCC)nc3cnc4c(cccc4)c23	1232
+CC(C)(C)OC(=O)NCCCCn1c2c3c(cc(cc3)OCc4ccccc4)ncc2nc1CCOC	1233
+c1cc(ccc1)Oc2nc(c(C)c3n(CCOCCCc4sccn4)c(nc23)COCC)C	1233
+c1ccccc1COc2ccc3c(ncc4nc(n(CC(C)(C)NS(=O)(=O)C)c34)COCC)c2	1234
+C1CC(CCC1Cc2cc(N)n3nccc3n2)C(OCC)=O	1235
+CCCCc1cc(n2c(ccn2)n1)NC	1236
+CC(C)(C)OC(=O)N1CC(n2c3c(cnc4c3scc4)nc2C(C)O)CCC1	1237
+c1(F)cccc(F)c1-c2c(N)n(nc2C)C	1238
+c1cc(ccc1F)-c2c(Br)c(nn2C)C	1239
+FC(F)(F)C(NCCc1cccc(c1)-n2c(N)cc(C(C)(C)C)n2)=O	1240
+O=S(=O)(C)C1CN(c2cc(C)nn2-c3cc(Cl)ncc3)C(C1)C(=O)OC	1241
+FC(F)(F)C(c1ccc(cc1)-n2c(N)cc(n2)C)O	1242
+n1c2CCNc3c(c(F)ccc3)-n2c(C)n1	1243
+n1c2CCc3c(c(F)cc(Br)c3)-n2c(C)n1	1244
+CC(C)(C)OC(=O)NCCc1oc(C)nn1	1245
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCc3nnc(C)o3)C	1245
+FC(F)(F)C(c1nnc(N)o1)(O)C	1246
+C(c1nnc(N)o1)CCCCCCCCCCCC	1247
+C(C)(Oc1c(Cl)cccc1)c2nnc(N=C=O)s2	1248
+CC(C)(C)Cc1nnc(-c2ccc(cc2)[N+](=O)[O-])o1	1249
+c1cc(ccc1C#N)-c2nnc(C(Nc3c4c(cccc4)c(C#N)cc3)C(C)O)o2	1250
+CC(C)(C)OC(NC(C)c1c(c(c2c(ccc(c2)F)n1)-c3nnc(C)o3)-c4ncccc4)=O	1251
+n1cc(cc(c1)-c2nnc(CCl)o2)Br	1252
+c1(nnc(o1)C)-c2cc(Br)cnc2N	1253
+FC(F)(F)c1ncc(cc1)Cc2n3c(nn2)cc(c(Br)c3)-c4ccc(cc4)Cl	1254
+c1cc(ccc1CN2C(c3c(ccc(Cc4nnc5ccc(-c6cccnc6)nn45)c3)N=C2)=O)OC	1255
+c12c(Cl)nc3c(n1c(CC)nn2)cccc3	1256
+c1cc(ccc1)Cn2nnnc2C3CCCN3C(=O)OCc4ccccc4	1257
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)-c2cc(Cl)ccc2)c3n(nnn3)CCC#N	1258
+C1CC1c2c(cc(c(F)c2)[N+]([O-])=O)-n3c(nnn3)C(C)C	1259
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)c2[nH]nnn2	1260
+c1([nH]nnn1)C(Oc2cc(ccc2)Oc3ccccc3[N+]([O-])=O)C	1260
+CC(C)(C)OC(=O)N1C(c2nnn[nH]2)CCC1	1261
+CC(C)(C)OC(=O)NC(c1[nH]nnn1)Cc2ccc(cc2)-c3cc(Cl)ccc3	1262
+c1cc(ccc1S(=O)(=O)N2C(c3ccc(cc3)F)CCC2c4nnn[nH]4)C	1263
+CC(C)(C)OC(=O)NC(c1[nH]nnn1)Cc2ccc(cc2)-c3cc(Cl)ccc3	1264
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(COCc3ccccc3)on2	1265
+C1CN(CCC12CC3(C2)Cc4cc(C=5CCN(S(=O)(=O)C)CC=5)ncc4O3)c6nc(no6)CCC	1266
+c1cc(ccc1COC2=CC(N(C=C2)c3ccc4c(c3)n(c(C5CCC5)n4)C)=O)Cl	1267
+CC(C)(C)C(=O)NCc1c(F)c(c(cc1)F)Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(OCC(F)F)cc3n2C	1268
+CC(C)(C)C(=O)NCc1c(F)c(c(cc1)F)Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(OCC(F)F)cc3n2C	1269
+C1CC1C(=O)N2CCC(Cn3c(-c4ccc(cc4)Br)nc5c3cc(F)cc5)C2	1270
+c1cnccc1-c2nnc(N3CCOCC3c4cc(on4)-c5cccc(Cl)c5)n2C	1271
+c1cnccc1-c2nnc(N3CCOCC3c4cc(on4)-c5cccc(Cl)c5)n2C	1272
+c1cnccc1-c2nnc(N3CCOCC3c4cc(on4)-c5cccc(Cl)c5)n2C	1273
+n1(CCO)cnc2cccc(Br)c12	1274
+c1(c(OCc2ccc(nc2)OC)ccc(c1)Cn3cnc4cc(I)ccc34)OC	1275
+c1c(cc2n(cnc2c1)Cc3cncc(F)c3)Br	1276
+CC(C)(C)OC(N1CCC(CC1)n2cnc3cnccc23)=O	1277
+c1cc(ccc1OC)Cn2cnc3cnc(cc23)Br	1278
+c1(c(OCc2ccc(nc2)OC)ccc(Cn3c4c(cc(cn4)I)nc3)c1)OC	1279
+CCCn1cncc1CO	1280
+CC(C)(C)OC(=O)N1CC(C1)n2c(ccn2)-c3c(ccc(c3)Cl)O	1281
+CC(C)(C)OC(=O)N1CC(C1)n2nccc2-c3cc(ccc3O)C(F)(F)F	1281
+CC(C)(C)c1cc2OC3(CCCCCC3)Cc2c(c1O)CC(=C)C	1282
+O=S(=O)(NC1=C2OCCN2C(C(C)=C1Nc3c(F)cc(I)cc3)=O)C4CCC4	1283
+c1cc(ccc1Sc2c(C(O)C=C)c(F)ccc2)F	1284
+c1cc(ccc1Sc2c(C(O)C=C)c(F)ccc2)F	1285
+C1CC1c2c(C)n3c(ccc(c3)N4C=CC(OCc5ccc(F)cc5F)=CC4=O)n2	1286
+c1cc(ccc1CC=2C(N(c3n(ncn3)C=2CCC)C4CCC(CC4)OCC(C=C)=O)=O)-c5ccccc5C#N	1287
+C1CN(CCN1C)c2nc(SC3CCN(CC3)C(=O)C=C)nc(c2)Nc4ncc(C#N)s4	1288
+c1cc(ccc1Oc2c(cc(cn2)N3CCC4(C3)CN(C(=O)C=C)CC4)C(=O)N)Oc5cc(ccc5)F	1288
+c1cc(ccc1Oc2ccccc2)-c3c(c(nn3C4CCCN(C(=O)C=C)C4)N)C(N)=O	1288
+CC(C)(C)OC(Nc1cc(ccc1C=CC(N2CCN(CC2)Cc3ccc(cc3)F)=O)Cl)=O	1289
+C1CN(CCO1)c2nc(nc3cc(sc23)CN(C(=O)C=C)C)-c4cc(ccc4)O	1290
+C1CN(CCC1)C(c2ccc(cc2)S(=O)(=O)N3CCC(CC3)NC(=O)C=C)=O	1291
+CN(C)c1ccccc1CN2CC(CC2)Nc3cnc(C=CC(NOC4CCCCO4)=O)cn3	1292
+C1CN(CCO1)CCCOc2c(NC(=O)C=C)cc3c(c2)ncnc3N(C(C)=O)c4ccc(F)c(c4)Cl	1293
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC(=O)C=C	1293
+CN(C)C1CN(c2c(cc(Nc3nc(-c4c5ccccc5n(c4)C)ccn3)c(c2)OC)NC(C=C)=O)CC1	1293
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(c2c(F)c1)Oc4cccc(NC(C=C)=O)c4	1293
+C(COC)Oc1ccc(Nc2nc(c(F)cn2)Nc3cccc(c3)NC(=O)C=C)cc1O	1294
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCN(CC3)CCC4=C(N=C5N(C(=CS5)C)C4=O)C	1295
+CC(C)n1c2c(cn1)c(C(NCc3c(nc(C)cc3C)O)=O)cc(C4=CCN(CC4)C(=O)CCCN(C)C)n2	1296
+C1CCN(C1)CC=Cc2cc3c(c(Nc4cc(c(Sc5n(C)ccn5)cc4)Cl)c(cn3)C#N)cc2	1297
+c1cc(ccn1)CN2CC3=C(CC2)c4c(cc(cc4)OC)OC3=O	1298
+CC(C)(C)Cc1coc2cc(OCC=C)ccc12	1299
+FC(F)(F)C(N1C(Cc2cc(c(cc2C(C)C1)Br)OCC=C)C)=O	1299
+c1cc(c2c(c(C)co2)c1OCC=C)C(=O)c3sccc3	1299
+C(c1c(c(C(=O)OC)ccc1Cl)O)C=C	1300
+CC(C)(C)c1cc(O)c(cc1OC(C(C)(C)C)=O)CC=C	1300
+c1cc(ccc1CCc2oc3c(c(c(cc3)CC=C)O)c2C)OC	1300
+o1c2c(c(c1CC)C)c(O)c(cc2)CC=C	1300
+CC(C)(C)OC(CC(=O)CC(O)C=CC(=C(c1ccc(cc1F)C)c2ccc(cc2F)C)c3n(C)nnn3)=O	1301
+c1cc(ccc1C2C(C=C)C2)Br	1302
+c1cc(cc(I)c1OC=C)CCCO	1303
+O=S(=O)(NCCOc1ccnc(Oc2c(cc(Cl)c(c2)Cl)I)c1)C=C	1304
+O=S(=O)(NCCOc1ccnc(Oc2c(cc(Cl)c(c2)Cl)I)c1)C=C	1305
+c12c(cc(C=C)c(c1)OC)cc(cc2)Br	1306
+c1ccccc1C(CCN2CCC(CC2)CCCc3ccccc3)Cl	1307
+c1cccc2C=Cc3ccccc3C(c12)Cl	1308
+c1ccccc1C(CCl)CN2CCOCC2	1309
+c1ccccc1COc2c(ccc(OCc3ccccc3)c2)CCl	1310
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4cc(Cl)[n+]([O-])cc4	1311
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4ccnc(c4)Cl	1312
+C1CCCCN1CCOc2c3ccc(nc3c(cc2)Cl)Cl	1313
+C1CCCCN1CCOc2c3ccc(nc3c(cc2)Cl)Cl	1314
+FC(F)(F)C(=CC(=O)c1cc2c(s1)cccc2Cl)c3cc(Cl)cc(Cl)c3	1315
+FC(F)(F)C1(CC(=NO1)c2cc3c(cccc3Cl)s2)c4cc(Cl)cc(Cl)c4	1316
+FC(F)(F)C1(CC(=NO1)c2cc3c(cccc3Cl)s2)c4cc(Cl)cc(Cl)c4	1317
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(c4ccccc34)Br	1318
+O=S(=O)(n1c2c(cc(cc2)CC[N+](=O)[O-])c3cc(cnc13)Cl)c4ccccc4	1319
+CC(C)(C)OC(=O)CCC=1[N+](=O)C(=C=[N-])C=CC=1	1320
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	1321
+C1C2CC3CC1CC(C2)(C3)CCOCCOCCN=[N+]=[N-]	1322
+FC(F)(F)c1cccc(N2C(=NOC2=O)c3nonc3NCCN=[N+]=[N-])c1	1322
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	1322
+N1CC(CN=[N+]=[N-])c2c1cccc2	1322
+N(=[N+]=[N-])CC1OC(N2C=C(I)C(N)=NC2=O)CC1O	1323
+[N-]=[N+]=NCC1OCN(C1)c2ccc3C(N4C(=Nc3c2)C(c5cc(ccc45)F)=O)=O	1323
+c1ccc2c(c1)c3c(cccc3)n2CCCN=[N+]=[N-]	1323
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	1324
+[N-]=[N+]=Nc1c2c(nc(-c3cc(F)ccc3)c1)ccc(c2)Br	1325
+Ic1c(NC(Nc2c(cc(cc2)N=[N+]=[N-])O)=O)cccc1	1326
+C1CC(CCC12CCC(CC2)C#N)O	1327
+C1CC(CCC1(F)CO)(C#N)NC(=O)OCc2ccccc2	1328
+c1cc(ccc1F)CN2c3ccccc3C(Cl)=C(C#N)C2=O	1329
+c1cc(ccc1F)CN2c3ccccc3C(Cl)=C(C#N)C2=O	1330
+C1CC1C=C(C(N2CCCC2Cn3c4c(c(n3)-c5c(F)cc(cc5)Oc6cccc(F)c6F)c(N)ncn4)=O)C#N	1331
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(N)ncnc4n(CC5N(CCC5)C(C(=CC6CC6)C#N)=O)n3)F	1331
+c1cc(ccc1-c2nn(C3CN(CCC3)C(C(=CC4CC4)C#N)=O)c5ncnc(c25)N)Oc6c(cccc6)F	1331
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6c(ccc(F)c6)F	1331
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(N)ncnc4n(CC5N(CCC5)C(C(=CC6CC6)C#N)=O)n3)F	1332
+c1cc(ccc1-c2nn(C3CN(CCC3)C(C(=CC4CC4)C#N)=O)c5ncnc(c25)N)Oc6c(cccc6)F	1332
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6c(ccc(F)c6)F	1332
+C1COC2(O1)CCC(CC2)CC#N	1333
+C1Cc2ccc(nc2NC1)CCC#N	1334
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C4CCC(CC4)CC#N)nc3	1334
+c1c(cc(CCCC#N)c(F)c1)Br	1335
+c1cc(ccc1)CN2CCC(C2)CC#N	1335
+c1ccccc1COCC2C(CC=CC2)CC#N	1335
+CC(C)(C)OC(=O)N1CCCC(C(OCC#N)c2cc(Cl)cc(c2)F)C1	1336
+CC(C)(C)OC(=O)N1CCCC(C(OCC#N)c2cc(Cl)cc(c2)F)C1	1337
+CC(C)(C)OC(=O)N1CCCC(C(OCC#N)c2cc(Cl)cc(c2)F)C1	1338
+c1cc(ncc1Br)CC#N	1339
+C(c1c[nH]c2c([N+]([O-])=O)cccc12)C#N	1340
+Clc1cc(CC#N)cc(OC)c1	1341
+FC1(F)Oc2cc(ccc2O1)CC#N	1342
+Brc1cc(cc(Br)c1)CC#N	1343
+Clc1cc(CC#N)cc(OC)c1	1343
+FC1(F)Oc2cc(ccc2O1)CC#N	1343
+[N+](c1cc(CC#N)cc(Br)c1)([O-])=O	1343
+c1c2c(nc(-c3cc(c(CC#N)cc3)-c4cc(ccc4)C#N)o2)ccc1	1344
+[N+](c1cc(CC#N)cc(Br)c1)([O-])=O	1345
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CC#N	1345
+Clc1cc(cc(Cl)c1CC#N)Cl	1346
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CC#N	1346
+C(Cc1cc2nccnc2cc1)#N	1347
+c1(I)cc(ccc1F)CC#N	1347
+C1CC(CCC1C(OC)=O)C#N	1348
+CC(C)(C)OC(=O)NC(CC#N)c1ccc(cc1)-c2ccccc2	1348
+c1c2NC(CCc2cc(C#N)c1)=O	1349
+CC(C)(C)OC(CCc1cccc(C#N)n1)=O	1350
+CC(C)(C)OC(CCc1cccc(C#N)n1)=O	1351
+Nc1ncc(C#N)c(Cl)c1	1352
+N#Cc1ccc2C(=O)c3c(ccc(Br)c3)-c2n1	1353
+N#Cc1ccc2C(=O)c3c(ccc(Br)c3)-c2n1	1354
+c1cc(ccc1Cl)-c2c(nc(Cl)c(c2)C#N)-c3c(Cl)cccc3	1355
+c1cc(ccc1Cl)-c2c(-c3c(Cl)cc(cc3)Cl)nc(O)c(c2)C#N	1356
+[nH]1cc(c2c1ncnc2Cl)C#N	1357
+n1c2c(ccc1)cc(C#N)cc2	1358
+FC(F)(F)C1C(C(OCC)=O)=Cc2cc(C#N)ccc2O1	1359
+c1c(Nc2cncc(-c3ccccc3F)c2C#N)c(F)cc(I)c1	1360
+n1c2c(ccc1)cc(C#N)cc2	1361
+C1CC(CCC1)NC2CN(CC2)C(=O)OCc3ccccc3	1362
+CC(C)(C)OC(=O)N1CC(CC(N=[N+]=[N-])C1)C(OC)=O	1363
+O=S(=O)(C)NC1CCCOc2c1cccc2	1364
+FC(F)(F)S(=O)(=O)Oc1cc2c(C(CCC2)N=[N+]=[N-])cc1	1365
+C1CN(CCC1CCCC(=O)N)C(N(C(=O)Oc2ccccc2)c3nccc(c3)Oc4cc5ccn(C(=O)NC)c5cc4)=O	1366
+CC(C)(C)OC(=O)NC1C(F)CN(C(=O)OCc2ccccc2)C1	1367
+CC(C)(C)OC(NC1CCOc2cc(ccc12)C#N)=O	1367
+FC(F)(F)c1ccc(cc1)C=Cc2nc(C(=O)Nc3ccc(cc3)CCCCn4ccnn4)co2	1368
+C1Cc2ccccc2C(c3c1cccc3)=CC4CN(CCO4)C(=O)OCC	1369
+FC(F)(F)C(=O)N(C)c1ccc2nc(oc2c1)C	1370
+CC(C)(C)OC(=O)Nc1onc(c1)C(C)(C)CNC	1371
+c1cc(ccc1C#N)CCCNCCO	1372
+CC(C)(C)[Si](C)(C)OCCOc1cccc(CNC)c1	1373
+c1(cc(ccc1Br)C2NCCC2)F	1374
+CC(C)(C)OC(=O)N1C(CNC(=O)C(F)(F)F)C2CCC1C2	1375
+FC(F)(F)c1ccc(cc1)C2c3c(cc(cc3)F)CCN2	1376
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1377
+N(C)c1ccc2nc(oc2c1)C	1378
+N(C)c1ccc2nc(oc2c1)C	1379
+FC(F)(F)c1ccc(cc1)C2=NCCc3cc(ccc23)F	1380
+CC(C)(C)OC(N1CC(c2c3cccc4CCCn(c2)c34)C(c5c[nH]c6c5cccc6)C1)=O	1381
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN2C(c3c(C2=O)cccc3)=O	1382
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1383
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1384
+CC(C)(C)OC(=O)N1C(CC2CCCC12)CNCc3ccccc3	1385
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1385
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1386
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1387
+c1cc(ccc1C(OCC)=O)NCCOc2c3c(ccc2)cccc3	1388
+C1CC(CCC1C(OCCCC)=O)CN=[N+]=[N-]	1389
+C1CC(CCC1C(OCCCC)=O)CN=[N+]=[N-]	1390
+N(=[N+]=[N-])CC1C(C(O)C(n2c3c(c(nc(N)n3)O)nc2)O1)O	1391
+N(=[N+]=[N-])CC1NC(c2c(C1)cccc2)=O	1391
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(OCCN=[N+]=[N-])CC2COc4c(F)ccc(F)c34	1391
+c1cc(ccc1)COC(=O)N2CCCC(CN=[N+]=[N-])C2	1391
+c1cc(ccc1CCN=[N+]=[N-])CCOC2OCCCC2	1391
+C1CC1NCc2c(ccc(c2)Br)Cl	1392
+c1cc(ccc1NCc2cc(ccc2)OC3CCCCO3)OCCN4CCCC4	1393
+[N-]=[N+]=NCc1ccc2c(c1)OC(C=C2c3cc(F)ccc3)=O	1394
+N(Cc1ccccc1-c2nnsc2)=[N+]=[N-]	1395
+N#Cc1cc(F)c(cc1F)CN=[N+]=[N-]	1396
+CC(C)(C)OC(=O)Nc1cnc(nc1Oc2c(cccc2)C)SC	1397
+FC(F)(F)C(Nc1ccc2nc(C)oc2c1)=O	1398
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)NS(=O)(=O)C	1399
+[N-]=[N+]=Nc1cc(ccc1)OCC(=O)O	1400
+n1n2c(c(O)ccc2)nc1NC(OCC)=O	1401
+c12C(=O)c3c(ccc(Br)c3)-c1nc(cc2)C=NO	1402
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCc3cccc(C#N)c3	1403
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCc3cccc(C#N)c3	1404
+FC(F)(F)C1=CC(=O)N(C(N1)=O)c2c3OCCCc3c(Cl)cc2F	1405
+CC(C)CN1c2nn(Cc3ccnc4ccc(cc34)Cl)c(-c5n(C)ccc5)c2C(NC1=O)=O	1406
+c1ccccc1-c2n(-c3cc(ccc3O)[N+]([O-])=O)cc4N(C)C(N(C(=O)c24)C)=O	1407
+S=C1N(c2[nH]cnc2C(=O)N1)c3cc(CC)ccc3	1408
+S=C1N(c2[nH]cnc2C(=O)N1)c3cc(CC)ccc3	1409
+c1c2c(OCCN2)cc([N+]([O-])=O)c1	1410
+CC1(C)Cc2c(n3CCN(c4nccc(C5=CN(C(C(=C5)Nc6cc7n(CCOC7)n6)=O)C)c4C=O)C(=O)c3c2)C1	1411
+C1OCC1N(C)Cc2n(C)nc(c2)NC3=CC(=CN(C)C3=O)Br	1412
+O=S(=O)(C)c1ccc(c(c1-c2ccon2)C)C(=O)C3C(=O)N(N=C3)CC	1413
+O=S(=O)(C)c1ccc(c(c1-c2ccon2)C)C(=O)C3C(=O)N(N=C3)CC	1414
+c1cc(cc2C(=O)C(=O)Nc12)F	1415
+C1CC1c2sc(nn2)N3C(CCN(C)C3=O)OC(=O)CCl	1416
+CC(C)(C)c1nnc(s1)N2C(OC(Oc3cc(ccc3)[N+]([O-])=O)=O)CCN(C)C2=O	1417
+C1(c2c(C(=O)N1C(C)C3=C(Br)C(N4C(C)=CC=CC4=N3)=O)cccc2)=O	1418
+C1(c2c(C(=O)N1C(C)C3=C(Br)C(N4C(C)=CC=CC4=N3)=O)cccc2)=O	1419
+C1(c2c(C(=O)N1C(C)C3=C(Br)C(N4C(C)=CC=CC4=N3)=O)cccc2)=O	1420
+OC(C=1N=C2C=CC=C(C)N2C(C=1Br)=O)C	1421
+OC(C=1N=C2C=CC=C(C)N2C(C=1Br)=O)C	1422
+C1C(c2cccnc2)CC(N)C1	1423
+CC(C)(C)OC(=O)N1CC(CC1)(C)N2CCC(CC2)N	1424
+C1CC(CCC12COC2)N	1425
+C1C2CCC(CC1N)N2Cc3ccccc3	1426
+c1ccccc1CC2CCC(CC2)N	1427
+Clc1cccc(c1)C(N)Cc2ncccc2	1428
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(N)c2cc1	1429
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(N)c2cc1	1430
+C1=CC=C(C)N2C(C(Br)=C(N=C12)C=O)=O	1431
+c1cc(ccc1)-c2c(F)cc(C(N)=NO)cc2	1432
+n1c2c(ccc1)cc(cc2)C(=O)N	1433
+NC(=O)c1c(Nc2ccc(I)cc2F)cncc1-c3ccccc3F	1434
+FC(F)(F)c1c(cnn1-c2ccc(Cl)cc2Cl)C(=O)N	1435
+NC1=C(N)C(NC(=O)N1)=O	1436
+C1(N(Cc2c(F)cccc2)C(C(N)=C(N)N1)=O)=O	1437
+c1c(ccc2c1C(Cl)=C(C#N)C(=O)N2C)F	1438
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3C(C(c4c(cc5OCOc5c4)O)(c6ccccc36)CO)=O	1439
+Clc1ccc(c(c1)O)C2(CO)C(=O)N(c3ccccc23)CC(=O)OC	1440
+Oc1c(cc(F)cc1)C2(C(N(CCCCC)c3ccccc23)=O)CO	1440
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3C(C(c4c(cc5OCOc5c4)O)(c6ccccc36)CO)=O	1441
+Clc1cc(c(cc1)C2c3c(cccc3)N(C2=O)CC(=O)OC)O	1442
+C1CN(CCC1)c2nc(C=C3SC(=S)N(CC(=O)O)C3=O)cs2	1443
+C1CN(CCC1)c2nc(C=C3SC(=S)N(CC(=O)O)C3=O)cs2	1444
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3c4ccccc4C5(COc6cc7OCOc7cc56)C3=O	1445
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3c4ccccc4C5(COc6cc7OCOc7cc56)C3=O	1446
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3c4ccccc4C5(COc6cc7OCOc7cc56)C3=O	1447
+C(N(OC)C(C1=C(O)C(=O)N(C1)C)=O)c2cccc(F)c2	1448
+c1ccccc1C(NC(C2CCN(CC2)C)=O)C(NC3CCCC(N4c5cccc(Cl)c5-c6noc(c6C4=O)C)C3)=O	1449
+C1CC(CCN1C(=O)C(NC(C2CC2)=O)C)CCc3c(nc(C)nc3N)Cl	1450
+c1cc(ccc1)C2C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4c(cccc4)O2)CC#C	1451
+c1ccccc1C2C=CCC(NC(=O)C(NC(=O)C(O)CC(C)C)CC(C)C)C(=O)N2CCOC	1451
+c1cc(ccc1)C2C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4c(cccc4)O2)CC#C	1452
+c1cc(ccc1CC(C(=O)NC(CC2=CCCC2)C(=O)C3(CO3)C)NC(=O)C(NC(=O)Cc4sc(N)nc4)C)OC	1452
+FC(F)(F)CSCC(=O)NC1C2N(C(C(O)=O)=C(COC)CS2)C1=O	1453
+C1CC(CCC1)CC(C(NC2C(O)CN(CCC)C(CC2)C)=O)NC(=O)c3occc3	1454
+C1CCCCC1C(C(=O)NC(C(O)c2nc3c(cccc3)o2)CC)NC(=O)c4ccc(cc4)-c5c(Cl)cccc5	1455
+C1CSCCN1C2(CC2)C(=O)N3C(C(NC4(CC4)C#N)=O)CC(S(=O)(=O)c5ccccc5Cl)C3	1456
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(N)=O	1457
+CC(C)(C)OC(=O)NC(C(N)=O)Cc1ccc(cc1)S(=O)(=O)c2ccccc2	1458
+c1ccccc1CN(Cc2ccccc2)C3COC(C(N)=O)CC3	1459
+c1(ccccc1F)-c2ccccc2CC(N)=O	1460
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCOCC(=O)N	1460
+CN(C)C(N(CCO)CCCc1ccc(cc1)C#N)=O	1461
+FC(F)(F)c1nc(C2(CCN(CC2)C(Nc3nc4c(ncnc4OC)s3)=O)O)ccc1	1462
+C1N(CC1Oc2ccc(cc2)Cl)CC3C(CCCC3)NC(=O)Nc4nnc(s4)CC	1463
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	1463
+O=S(=O)(C)c1cccc(NC(=O)Nc2ccc(cc2)Oc3ccnc4cc(c(cc34)C#N)OCc5ccccc5)c1	1464
+C1COCCN1c2c(C#N)c(-c3c(cc(cc3)Cl)Cl)c(s2)C(=O)N	1465
+N1(CC(F)CC1C(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(=O)Cn4c5c(c(C(N)=O)n4)CCCC5	1466
+C1CC1Nc2nc3c(c(c(s3)C(N)=O)N)c(-c4cnccc4)n2	1467
+FC(F)(F)c1cc(-c2c(C(N)=O)cc([nH]2)-c3ccnc(n3)N)c(Cl)cc1	1468
+c1(cc2c(cc1)cccc2[N+]([O-])=O)C(=O)N	1469
+FC(F)(F)Oc1ccc(cc1)-n2nc(-c3ccc(cc3)CCCNC(=O)NC(Nc4ccccc4CC)=S)nc2	1470
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)NC(=S)N)Cl	1471
+C1(=C(N(N(C1=O)c2ccccc2F)C)C)N	1472
+c1ccccc1CN2C(CN)CN(c3ccccc3)CC2	1473
+c1cc(ccc1)CN2CC(CC2)CCN	1474
+c1cc(ccc1Br)NCCN2CCCC2	1475
+C(Oc1cccc(N)c1)CN	1476
+c1cc(CCN)ncc1Br	1477
+O=S(=O)(n1c2c(cc(cc2)CCN)c3cc(cnc13)Cl)c4ccccc4	1478
+O=S(=O)(n1c2c(cc(cc2)CCN)c3cc(cnc13)Cl)c4ccccc4	1479
+c1c(cc(c(c1)CCN)Cl)Br	1479
+c1(OC)cc(CCN)cc(Br)c1	1480
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN	1481
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)CN)ccc(c1)Br	1482
+C1CC(CCC1CN)C(OCCCC)=O	1483
+c1ccc2ccc3c4c(ccc1c24)ccc3COCCCCCN	1484
+CC(C)(C)OC(N1CCN(CC1)CCCN)=O	1485
+FC(F)(c1c(Cl)cc(Cl)cc1)CN	1485
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	1486
+c1cc(ccc1)COCCC(F)(F)CN	1487
+c1(cc(Oc2cc(c(cc2I)Cl)Cl)ncc1)OCCN	1488
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN	1489
+C1CC(CCC1CN)C(OCCCC)=O	1490
+C1CC(CCC1CN)C(OCCCC)=O	1491
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	1492
+c1c(c([N+]([O-])=O)ccc1)CCN	1493
+c1ccccc1COc2ccc(C(O)CN)c3SC(Nc23)=O	1493
+C1(C(OC(C1O)n2c3c(c(nc(N)n3)O)nc2)CN)O	1494
+C1(C(OC(C1O)n2c3c(c(nc(N)n3)O)nc2)CN)O	1495
+NCC1Cc2c(cccc2)C(N1)=O	1495
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCN	1495
+c1cc(ccc1)COC(N2CCCC(CN)C2)=O	1495
+c1cc(ccc1CCOC2OCCCC2)CCN	1495
+NCC1Cc2c(cccc2)C(N1)=O	1496
+O=S(=O)(c1cc(ccc1)F)c2ccc3CCC(Oc3c2)CN	1496
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCN	1496
+c1cc(ccc1)COC(N2CCCC(CN)C2)=O	1496
+c1cc(ccc1CCOC2OCCCC2)CCN	1496
+FC(F)(F)c1nccc(n1)N2CCC(CC2)CN	1497
+c12ccccc1c3c(cccc3)nc2CN	1498
+FC(F)(F)C1(ON=C(C1)c2cc(c(nc2)CN)Cl)c3cc(Cl)cc(Cl)c3	1499
+c1cc(ccc1-n2cnc(CN)c2)N3C=CC=CC3=O	1500
+FC(F)(F)c1ccc(cn1)-c2cc(ncc2Cl)CN	1501
+C(c1ccc2c(c(ccc2)O)n1)N	1502
+NCc1c2c(ccc1)cccn2	1503
+C(c1ccc2ncccc2c1)N	1504
+C1CCCC(n2c3cc(CN)ccc3cn2)O1	1505
+Clc1ccc(I)c(CN)c1	1506
+CC(C)(C)OC(COc1ccc(cc1)CN)=O	1507
+c1c(c(-c2nnsc2)ccc1)CN	1508
+c1c(c(-c2nnsc2)ccc1)CN	1509
+C1CCCCC1(c2ccc(cc2)CN)O	1510
+c1cc(ccc1OCCN2CCCC2)CN	1511
+C(c1ccc2ncccc2c1)N	1512
+c1cc(ccc1CN)Oc2c(cc(Br)cc2)Cl	1513
+c1cc(ccc1CN)-c2ocnc2	1514
+C(c1ccc2ncccc2c1)N	1515
+C1CC(CCN1c2c(Cl)cc(C=3c4c(cc(c(c4)OC)OC)C(N(C=3)CC)=O)cn2)C(C)(C)O	1516
+c1cc(ccc1F)-n2ncnc2-c3ccc(cc3)N=CN(C)C	1517
+FC(F)(F)c1ccc(cc1)C2c3c(cc(cc3)F)CCN2	1518
+NC=1C(NC(=O)N(CCCCC)C=1N)=O	1519
+C=1(N(C(=S)NC(C=1N)=O)c2cc(CC)ccc2)N	1520
+C(CC)N1C(C(N)=C(N)NC1=O)=O	1521
+NNC(c1cccc(c1)I)=O	1522
+c1cc(ccc1)-c2cc3c(ccc3)oc2CC(=O)NN	1523
+FC(F)(F)COc1c(C2CCCCC2)cc(C(NN(c3nnc(Cl)cc3)C)=O)cn1	1524
+FC(F)(F)c1cc(Oc2cc(C(=O)NN)ccc2)ccc1	1525
+c1c(-c2cncc(Nc3ccc(I)cc3F)c2C(NN)=O)c(ccc1)Cl	1526
+Clc1c(SCCCCl)c(ccc1)NN	1527
+FC(F)(F)C(NCCc1cc(ccc1)NN)=O	1527
+FC(F)(F)C(c1ccc(cc1)NN)O	1527
+c1cc(ccc1F)S(=O)(=O)c2ccc(cc2)NN	1527
+S(CCOc1ccccc1NN)C	1528
+c12OC(C)Cc1cccc2NN	1528
+c1cc(ccc1CCNc2cc(nc(n2)OC)-c3cccc(S(=O)(=O)N)c3)OC	1529
+c1c(C(CCCCCl)=O)cc(N)c2OCCc12	1530
+c1cc(ccc1-c2ncc(nc2)O)N	1530
+c1cc(ccc1N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl)N	1530
+C(CC1CCc2cc(N)ccc2O1)C#N	1531
+Fc1cc(cc(F)c1N2CCS(=O)(=O)CC2)N	1531
+OP(O)(c1cc(ccc1)N)=O	1531
+c1cc(ccn1)-c2c(F)c(N)ccc2F	1531
+c1ccccc1Oc2cc(N)c(O)cc2	1531
+c1ncncc1Oc2cc(cc(c2)Cl)N	1532
+Clc1c(c(F)ccc1N)Cl	1533
+Nc1ccc2CC3(c4ccccc4NC3=O)Cc2c1	1533
+FC(F)Oc1c(c(F)cc(c1F)C(OCC)=O)N	1534
+FC(F)(F)C(N1CCc2ccc(cc2CC1)N)=O	1535
+FC(F)(F)Oc1ccc(O)c(c1)N	1536
+FC(F)(F)c1ccc(N)c(O)c1	1536
+FC(F)(F)c1cnc(-c2c(c(O)c(cc2F)Cl)N)c(Cl)c1	1536
+C(c1cccc(F)c1)n2ncc3cc(ccc23)Nc4c5cc(ncc5ncn4)N	1537
+Nc1cc2c(ncnc2cn1)Nc3cc(Br)c(Br)cc3	1537
+CC(C)(C)OC(N1CCC(CC1)Nc2c3ccnc(c3ccc2)N)=O	1538
+c1ccccc1Nc2nn(cn2)-c3cc(N)ncc3	1538
+C1CCCCC1c2noc(c2)N	1539
+C1CCN(C1)c2nc3cc(ccn3n2)N	1540
+c1cc(ccc1S(=O)(=O)C)-c2cc(sc2-c3ccc(cc3)F)N	1541
+C1CCc2nc3c([n+]([O-])c4ccccc4c3n2OC1)N	1542
+C1CC(CCC1NS(=O)(=O)C(C)C)CNc2nc(cs2)-c3ccccn3	1543
+c1cc(ccc1F)Nc2nc(-c3ccc(cc3)F)cs2	1544
+c1ccccc1OCC(N2CCC(CC2)Cc3ccccc3)C(c4cc5sc(nc5cc4)N)O	1545
+CC(C)(c1cc(ccc1)C(=O)Nc2cccc(Oc3c(c4c(cc3)nc(s4)N)C#N)c2)C#N	1546
+c12c(cccc1)nc(N)c3nc4n(OCCCC4)c23	1547
+c12c(cccc1)nc(N)c3nc4n(OCCCC4)c23	1548
+Nc1sc2c(cc(nc2Br)Br)n1	1549
+c1ccccc1C(c2cc(ccc2F)-c3ccnc(n3)N)O	1550
+n1n2c(c(O)ccc2)nc1N	1551
+n1n2c(c(O)ccc2)nc1N	1552
+c1ccccc1-c2cc3c(N)n[nH]c3nc2	1553
+c1(c(Br)cccc1N2N=C(C(=O)C)C(=O)C(=C2)OC)F	1554
+c1(c(Br)cccc1N2N=C(C(=O)C)C(=O)C(=C2)OC)F	1555
+FC1(F)Oc2c(cccc2N3N=C(C(C)=O)C(=O)C(OC)=C3)O1	1556
+FC1(F)Oc2c(cccc2N3N=C(C(C)=O)C(=O)C(OC)=C3)O1	1557
+CN(C)C=CC(C=1C(=O)C(=CN(N=1)c2cccc3c2OC(F)(F)O3)OC)=O	1558
+Fc1c(F)cn(c1)-c2cc(c(N3C=C(OC)C(C(=N3)C(N(C)OC)=O)=O)cc2)OCc4ccccc4	1559
+FC1(F)Oc2c(cccc2N3N=C(C(=O)C(=C3)OC)C(N(C)OC)=O)O1	1560
+O=C(OCC)C(=NOCCC)c1csc(N)n1	1561
+c1(c(Br)cccc1N2N=C(C(N(OC)C)=O)C(=O)C(=C2)OC)F	1562
+C1CC(CCC1C(=N)NO)C(OC)=O	1563
+C1(N(C(SC)=NC)CCOC1)c2noc(-c3cc(Cl)ccc3)c2	1564
+o1c(-c2csc(c2)Cl)cc(C3N(C(SC)=NC)C4CC4C3)n1	1565
+o1c(-c2csc(c2)Cl)cc(C3N(C(SC)=NC)C4CC4C3)n1	1566
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)C(NO)=N	1567
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1568
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1569
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1570
+c1cc(ccc1CCC2NC(OC2)=N)NS(=O)(=O)c3cccc4cnccc34	1571
+O=S(=O)(O)N1C(=O)C(C1COC(=O)N)NC(=O)C(=NOCCN=[N+]=[N-])c2nc(sc2)N	1572
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(C(=NOCCC)c4nc(sc4)N)=O)=O	1572
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(=O)C(=NOCC(=O)OCC)c4nc(NC=O)sc4)=O	1573
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(C(=NOCCC)c4nc(sc4)N)=O)=O	1573
+CC(C)(C)[Si](C)(C)OCc1c(nc(Cl)nc1)Nc2n[nH]c(C3CC3)c2	1574
+OB(O)c1cc2ccc(Cl)cc2cc1	1575
+c1ccccc1C#Cc2ccc(cc2)B(O)OC	1576
+CC1(C)C(C)(C)OB(O1)c2c(cc(CC(OC)=O)cc2)F	1577
+CC1(C)OB(OC1(C)C)c2c(F)cc3OCCCc3c2	1578
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3CCC(CC3)O	1579
+FC(F)(F)c1c(C(C(OCC)C(OC)=O)O)ccc(OCc2ccccc2)c1	1580
+C1CC(CCC1O)Oc2cc3CCC(Oc3cc2)c4ccccc4	1581
+C1CC(CCC1c2cccc(F)c2)O	1581
+C1CC(CCC1c2nc(ccc2F)C(OC)=O)O	1581
+C1C(CC1)(C(O)CN2CCCCC2)c3ccccc3	1582
+FC(F)(F)c1cc2ncc(c(OCCCCCOC=3C(=O)C=C(OC=3)CN4CCN(CC4)C)c2cc1)C(=O)OCC	1583
+c1cc(ccc1)COc2ccc(c(OCC(c3ccccc3)O)c2)OCc4ccccc4	1584
+CC(C)(C)OC(=O)N1CC(C(O)c2cc(cc(c2)Cl)F)CCC1	1585
+CC(C)(C)OC(=O)N1CC(C(O)c2cc(cc(c2)Cl)F)CCC1	1586
+c1ccccc1CN(Cc2ccccc2)c3nccc4cc([nH]c34)C(O)c5ccccc5	1587
+c1ccccc1CN(Cc2ccccc2)c3nccc4cc([nH]c34)C(O)c5ccccc5	1588
+FC(F)(F)C(c1ccc(Br)cc1-c2ccccc2)O	1589
+FC(F)(F)C(c1ccc(Br)cc1-c2ccccc2)O	1590
+CCOC(=O)C(C(=O)OCC)C(=O)c1c(F)c(OC(F)F)c(c(F)c1)F	1591
+CC(C)(C(OCC)=O)Oc1ccc(cc1)CCCC(=O)O	1592
+CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1CCC(=O)NCCOc2ccc(cc2)Cl	1592
+c1cc(ccc1OCC2(CC(C)C)Oc3c(c(C)c(OC(C)=O)c(C)c3C(=O)C2)C)CC(C(=O)OCC)Cl	1593
+CC(C)C(Oc1cccc2c1cc(C)n2Cc3ccccc3)C(=O)OCC	1594
+C1CC1NC=C(C(=O)c2c(cc(c(c2)F)C=3CCN(CC=3)C(C)=O)F)C(=O)OCC	1595
+O=C(OCC)C(=Cc1cc(c(cc1)-n2cc(nc2)C)OC)CCCCl	1596
+C1CC(CCC12OCCO2)CC(=O)OC	1597
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1598
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1599
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1600
+N1(C(=O)C)c2cc(C)cc(C)c2C(CCC(=O)O)C1	1601
+c1ccccc1CC(C(OCC)=O)NC(Cn2c3c(cc2)cc(cc3)[N+](=O)[O-])=O	1602
+C1CCCCC1C(C2CCCCC2)CC(=O)NCC(OC(C)(C)C)=O	1603
+FC(F)(F)C1(CCC(CC1)(C(OC)=O)NC(Cc2cc(ccc2C)-c3ccc(cc3)Cl)=O)OC	1604
+c1ccccc1COC(=O)N2CCCC2(Cc3ccccc3)C(NC(C(OC)=O)C(C)O)=O	1605
+CC(C)CC(C(=O)OC)NC(=O)c1c(cc([N+]([O-])=O)cc1)-c2c(C)cccc2	1606
+c1cc(ccc1N2C(c3c(c(ccc3)C)C2=O)=O)CC(C(OCC)=O)NC(=O)c4c(cc(cc4Cl)-c5[nH]nnn5)Cl	1606
+CC(C)(C)OC(=O)CNC(c1cc(Cl)c(cc1)NC(=O)OCc2ccccc2)=O	1607
+CC(C)(C)OC(=O)CNc1ccc(cc1OCc2ccccc2)I	1608
+c1cc(ccc1-c2c3c(n(C)c(-c4ccccc4)c3C)ccc2)OCC(=O)OC	1609
+c1ccccc1Cn2c(cc3c2cccc3OCC(OC)=O)C	1609
+c1ccccc1-c2cn(Cc3cc4c(cc3)cc(cc4)OCc5ccccc5)cc2C=CC(OCC)=O	1610
+c1ccccc1-c2cn(Cc3cc4c(cc3)cc(cc4)OCc5ccccc5)cc2C=CC(OCC)=O	1611
+COc1c(OC)c(cc2cc(ccc12)C=CC(OCC)=O)OC	1612
+COc1c(OC)c(cc2cc(ccc12)C=CC(OCC)=O)OC	1613
+FC(F)(F)C(=O)N(C1CCN(CC1)C(=O)OC2(CC2)C)C3CC3	1614
+C1CN(CCN1c2scc(-c3ccccc3F)n2)C(OCC(C)C)=O	1615
+C1CC(CCN1C(OC(C)C)=O)N2CCC(CC2)N3C4CCCCC4OCC3=O	1616
+C1CC(CCN1C(OCCC)=O)Nc2ncc(C(c3ccccc3OC)=O)c(n2)N	1616
+C1CN(CCC1C(=O)OCC)C2CC3(C2)CCN(C(OCC)=O)C3	1616
+CC(C)COC(=O)N(C1CN(C(C2CCN(CC2)c3ccc(C#N)cn3)=O)CC1c4ccc(cc4)Cl)C	1616
+C1CC1NC(Nc2ccc(cc2)-c3nc(N4C(COCC4)C)c5CN(Cc5n3)C(OC)=O)=O	1617
+C1CN(CCC1(c2c(cccc2)C)CNC(=O)OCC)C(=O)OCC	1618
+CC(C)(C)OC(=O)N1CC(CCC1)C(c2cc(Cl)cc(c2)F)OCCNC(=O)OC	1619
+c1cc(ccc1)S(=O)(=O)n2ccc3c4n(C5CC(NC(=O)OC)CC5)nnc4cnc23	1620
+c1cc(ccc1Br)N2CCC(CC2)NC(=O)OCC	1620
+C(CC1CCc2cc(ccc2O1)NC(OCC)=O)C#N	1621
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)NC(=O)OCC(C)C)F	1621
+C(CC1CCc2cc(ccc2O1)NC(OCC)=O)C#N	1622
+C1CC1(C(OCC)=O)Oc2cc(NC(OCC)=O)c(F)cc2Cl	1622
+CC(C)OC(Nc1cc(-c2[nH]c3ncc(cc3n2)Br)c(Cl)cc1)=O	1623
+N#Cc1ccc2cc(cc(-c3c4ccccc4ccc3)c2n1)NC(=O)OCC	1623
+N(c1ccc(C)c(c1)C(=O)c2ccc(Nc3c(F)cc(F)cc3)cc2Cl)C(=O)OCC	1623
+O(C(Nc1cccc(NC(C=C(OC)C)=O)c1)=O)CCC	1623
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)NC(=O)OCC(C)C)F	1623
+C1CCCCC1COc2c3nc(c(n3cc(C)c2)C(OCC)=O)C	1624
+c1(cnc2cc(ccc2c1Cl)F)C(=O)OCC	1625
+N1(Cc2cc(C(OCC)=O)sc2CC1)C(OCC)=O	1626
+Clc1ccc2cc(C(=O)OCC)[nH]c2c1	1627
+c1cc(ccc1-c2cc(C(=O)OCC)nn2CC(C)C)Br	1628
+CC(C)c1onc(c1)C(=O)OCC	1629
+c1cc(ccc1)CN2C(CN3C(C(Oc4cc(OC)cc(c4)OC)C3(c5cc(ccc25)Cl)c6ccccc6)=O)=O	1630
+C1CN(CCC12NC(C(c3c(ccc(c3)C)C)=C2O)=O)OC	1631
+C1CCCC1CC(C(OC)=O)N2C(C=C(Oc3c(C)ccc(C)c3C)C=N2)=O	1632
+C1CCCC1CC(C(OC)=O)N2C(C=C(Oc3c(C)ccc(C)c3C)C=N2)=O	1633
+FC(F)(c1ncccc1)CO	1634
+C1CC(CCC1C2CCC(CC2)CCC)CCCO	1635
+Fc1cccc(F)c1CCCO	1636
+O(CCO)CCc1cccc2ccccc12	1637
+FC(F)(F)c1cc(Oc2ccc(cc2)CCO)ccc1Cl	1638
+C(COCc1nccs1)O	1639
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)CO	1639
+Clc1ccc(c(Cl)c1)CNC(c2c(nn(CCO)c2)OCC)=O	1640
+C(O)CCc1ncsc1	1641
+C(CCCc1cc(c(cc1)Cl)Cl)O	1642
+c1c(ccc(-c2oncc2CCCO)c1F)F	1643
+c1c(ccc(-c2oncc2CCCO)c1F)F	1644
+O(COC)Cc1c(cc(c(c1OC)OC)OC)[N+](=O)[O-]	1645
+c1cc(ccc1)C(Oc2cc(Cl)c(OCOC)c(C)c2)=O	1646
+c12-c3ccccc3NC(=S)n1nc(CO)c2	1647
+n1c(ccc2ncccc12)CO	1648
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)CO	1649
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)CO	1650
+Clc1cccc(c1)-c2onc(CO)c2	1651
+Clc1cccc(c1)-c2onc(CO)c2	1652
+c1cc(ccc1Oc2ccccn2)CO	1653
+C1CC1(C(=O)Nc2ccc(CO)c(Br)c2)c3cc4OCOc4cc3	1654
+C1CN2CCC1C(C(CCc3ccc(cc3)CO)(O)c4ccccc4)C2	1654
+c1(cc(CO)c(cc1Br)O)F	1654
+c1ccccc1CN(Cc2ccccc2)c3cccc(c3CO)[N+]([O-])=O	1655
+C(O)c1c(F)ccc(Br)c1F	1656
+CC(C)(C)c1c(c(C=Cc2ccc(cc2CO)NS(=O)(=O)C)cc(c1)N3C(=O)NC(C=C3)=O)OC	1657
+c1ccccc1-c2c(ccc(c2)Br)CO	1657
+c1cc(ccc1CN(C(=O)CC(C(=O)NS(=O)(=O)C2CC2)=O)OC)F	1658
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COCC(N(OC)C)=O)c4	1659
+C1CC(CCO1)Nc2n3c(nc(N4CCCC4)c2)cc(C(=O)N(C)OC)n3	1660
+CC1(C)OC(C(O1)=O)=CC(=O)N(OC)Cc2cc(F)ccc2	1661
+Clc1cc(cc(Cl)c1CCC(NOC)C)Cl	1662
+c1cc(ccc1)CC(NC(c2c(-n3cc4ccccc4n3)nccc2)=O)C(O)C(=O)NOCC	1663
+c1c(I)cc(c(Nc2c(C(NOCC(O)C)=O)ccc3cncn23)c1)F	1664
+c1c(cc(c(Nc2c(c3c(cc2C(NOCCOC=C)=O)n(cn3)C)Cl)c1)Cl)Br	1665
+Clc1cc(cc(Cl)c1CCCNOC)Cl	1666
+c1cc(ccc1CNOC)OC	1667
+C1(=NO)c2c(c(F)ccc2)OCC1	1668
+FC(F)(F)COc1cc(c(C(CBr)=NOC)nc1)Cl	1669
+c1c(F)c(c(cc1)F)C(=NO)Cl	1670
+c1(cc(cc(Cl)c1CCC=NOC)Cl)Cl	1671
+CC(C)(NC(C(SC)Oc1ccc2c(cc(Br)cn2)c1)=O)C=NOCCCC	1672
+c1ccccc1[Si](c2ccccc2)(N3C(CC3C=NOC)=O)C(C)(C)C	1672
+c1c([N+]([O-])=O)c(cc(c1)C(=O)OC)C=NOC	1673
+O=Cc1c(O)c(c(cc1)Br)F	1674
+CC(C)N1C(=O)c2cc(ccc2C(=N1)Br)O	1675
+O(c1ccnc(O)c1)C	1676
+FC(F)Oc1c(O)nccc1	1677
+Cc1c(c(c(cc1)C)Oc2cnnc(O)c2)C	1678
+c1cc(ccc1Cn2c3cccc(O)c3c4cccc(C)c24)F	1679
+FC(F)(F)c1cccc(-c2c(O)nc3ccc(cc3c2O)Br)c1	1680
+FC(F)(F)c1cccc(-c2c(O)nc3ccc(cc3c2O)Br)c1	1681
+c1cc2c(c(ncn2)O)nc1Cl	1682
+C(C)OP(OCC)(=O)COCCCOn1c2c(nc1)c(nc(NC=O)n2)Cl	1683
+c1cc(ccc1)C(c2ccccc2)N3C(=O)C(c4ccc(OCc5ccccc5)cc4O)c6c3cccc6	1684
+c1ccccc1-c2nn3ccccc3c2C=4C=CC(N(C5CC(=O)CCC5)N=4)=O	1685
+O=C(Cc1cc(c(-c2ccc(cc2F)F)cc1)F)Cl	1686
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(=O)Cl	1687
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)OCC(Cl)=O	1688
+c1ccccc1COCC(=O)N2CCCN(c3c(Cl)cc(Cl)cc3)CC2	1689
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc3ccccc23)NC4CCN(C(=O)Cc5ccccc5)C4	1690
+C1CN(CCC1)S(=O)(=O)c2ccc(c(COCC(=O)N3CCCC3)c2)Cl	1691
+C1CN(CCC1c2ccccc2)C(=O)C3C4(c5ccccc5CCC4)CN(C3)Cc6ccccc6	1692
+C1C(CC1)C(=O)N2CC(c3c4cccc5CCCn(c3)c45)C(c6c7c(cccc7)[nH]c6)C2	1693
+C1C(CC1)C(N2CC(Nc3c(cnc(-c4c[nH]c5ncc(cc45)Cl)n3)F)CCC2)=O	1693
+c1cc(ccc1)C2(c3ccccc3)CCN(C(CN4CCCC(c5ccc(cc5)F)(c6ccc(cc6)F)C4=O)=O)C2	1694
+c1nc(ncc1)N2CCN(CC2)C(Cn3c(Br)nc(Br)c3Br)=O	1695
+C1CN(CCN1C(CC2CC2)=O)S(=O)(=O)c3cccc4ccccc34	1696
+c1cc(ccc1)C2(c3ccccc3)CCN(C(CN4CCCC(c5ccc(cc5)F)(c6ccc(cc6)F)C4=O)=O)C2	1697
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2c3c(cccc3)c(cc2)CNC(=O)CC(F)(F)F	1698
+c12c(cccc1)nc(c3c2cccc3)CNC(=O)CCl	1699
+c1ccccc1CNC(COc2ccc(cc2)-c3c(c(CN4C(=O)CCC4=O)nc5c3c6CCS(=O)Cc6s5)Cl)=O	1700
+C1CC(CCO1)CNC(=O)Cc2csc(-c3c(n(C4CCCCC4)nc3)-c5ccc(cc5)F)n2	1701
+c1cc(c(c2C(C(=O)Nc12)=NNC(=O)Cc3ccc(c(Cl)c3)O)Cl)C(=O)O	1702
+c1ccccc1-c2ccc(cc2)OCCCC(=O)NO	1703
+c1(ccc(cc1Cl)NCC(=O)NO)Cl	1704
+FC(F)(F)C(N1CCc2cc(NC(=O)CCN3CCN(CC3)Cc4ccccc4)ccc2CC1)=O	1705
+c12nc(NC(=O)CN3C(N(c4c3cccc4)c5ccccn5)=O)ccc1CC6(c7cccnc7NC6=O)C2	1706
+c1ccccc1C2CCCN(C2=O)CC(=O)Nc3ccc(cn3)Cl	1707
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(=O)Nc4[nH]nnn4)c1	1708
+c1(c(sc(n1)NC(CCl)=O)C(=O)c2ccccn2)-c3occc3	1709
+C1CN(CCO1)C(COc2cc(ccc2)NC(=O)CCl)=O	1710
+c1c(F)c(c(cc1N2CCOCC2)F)NC(CC3CCC=C3)=O	1711
+c1cnccc1SCC(Nc2cccc(c2)-c3n4ncc(C(c5sccc5)=O)c4ncc3)=O	1711
+c1cc(ccc1-c2ccc(cc2)S(=O)(=O)OCC(Nc3cc(c(C(=O)O)cc3)O)=O)Cl	1712
+c12c(-c3c(c4c(cccc4)c(n3)O)C1)ccc(NC(=O)CCl)c2	1713
+c1cccnc1N2C(N(CC(Nc3cc4c(CC5(c6cccnc6NC5=O)C4)cc3)=O)CC2)=O	1714
+FC(F)(F)C(N1CCc2cc(NC(=O)CCN3CCN(CC3)Cc4ccccc4)ccc2CC1)=O	1715
+c1c(ccc(-c2oncc2CCC(OC)=O)c1F)F	1716
+C1CCCC1(c2cc(c(Cl)cc2)Cl)C(=O)CBr	1717
+CC(C)(C)OC(CC1(CC2c3c(C1CC2)cccc3)O)=O	1718
+CC(C)(C)OC(=O)Nc1c(NC(CC(=O)c2cccc(c2)-n3cncc3)=O)cc(C#Cc4ccc(cc4)F)cc1	1719
+Clc1cc(F)c(cc1)C(CC(OCC)=O)=O	1720
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N(C2CC2)C3CCN(CC3)C(CCN4CCC(CC4)O)=O	1721
+Fc1cccc(F)c1CCC(OCC)=O	1722
+c1c(ccc(-c2oncc2CCC(OCC)=O)c1F)F	1723
+c1cc(ccc1C2CN(CC(=O)N3CCNC(=O)C3)C(=O)C2)Cl	1724
+C1NCCN(CCNCCNC1)CC(=O)NCc2nc3c(c4ccccc24)cccc3	1725
+c1cc(ccc1)N2CCN(CC2)CC(=O)Nc3cccc(-c4cnc5c(n4)cccc5)c3	1726
+c1cc(ccc1C2(c3ccc(cc3)F)CCCN(C2=O)CC(=O)OCC)F	1727
+FC(F)(F)CNC(CNC(=O)c1sc(C2=NOC(C(F)(F)F)(C2)c3cc(Cl)c(c(Cl)c3)F)c4c1CCC4)=O	1728
+c1cc(ccc1)NCC(Nc2c(ccc(Cl)c2)C(=O)O)=O	1729
+FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)Br)ccc1Cl	1730
+C1CCCCC1n2ncc(c2-c3ccc(cc3)F)-c4scc(CC(=O)OCC)n4	1731
+C1CCCCC1n2ncc(c2-c3ccc(cc3)F)-c4scc(CC(=O)OCC)n4	1732
+O=S(=O)(NCc1cnccc1)c2cccc(c2)C=CC(Cl)=O	1733
+c1cc(ccc1)C=CS(=O)(=O)Nc2cc(ccc2)C=CC(NO)=O	1734
+c1c(cc(cc1)C=CC(=O)NO)NC(C=Cc2cc3OCOc3cc2)=O	1735
+c1ccccc1CS(=O)(=O)n2cc(C=CC(=O)NOC3OCCCC3)cc2	1736
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(NOC3OCCCC3)=O)=O	1737
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)NO	1738
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)NO	1739
+c1cc(ccc1)C=CC(=O)Nc2c(CCN3CCN(CC3)c4nsc5c4cccc5)cccc2	1740
+c1cc(ccc1CC(C=[N+]=[N-])=O)I	1741
+n1c(Br)ccc(c1)C2N(c3c(Cl)cccc3)N=C(C2)C(=O)Cl	1742
+c1cc(ccc1Cl)Sc2ccc(cc2)CCC(=O)Cl	1743
+c1ccccc1Oc2nccc(n2)C(=O)Cl	1744
+Clc1cc(cc(Cl)c1CN2CCC3(CCCCC3)C2=O)OCc4ccccc4	1745
+c1c(Cl)c(c(cc1Br)Cl)CN2CCC3(CCCCC3)C2=O	1746
+c1cc(ccc1CC(=O)N2C(CCC2)C(=O)Nc3ccc(cc3)Cl)N4CCOCC4=O	1747
+C1CN(CCN1c2ncnc(-c3ccc(cc3)F)c2)C(Nc4cnccc4)=O	1748
+C1CC1NC(=O)C(=O)C(Cc2ccccc2)NC(c3cccnc3-n4cc5ccccc5n4)=O	1749
+c1ccccc1CC(NC(C2N(C(=O)CC2)Cc3ccccc3)=O)C(=O)C(NCc4ccccn4)=O	1749
+C1CC1NC(=O)C(=O)C(Cc2ccccc2)NC(c3cccnc3-n4cc5ccccc5n4)=O	1750
+c1ccccc1CC(NC(C2N(C(=O)CC2)Cc3ccccc3)=O)C(=O)C(NCc4ccccn4)=O	1750
+FC(F)(F)c1cc2scc(N3CCN(CC3)CCC4(CC4)C(=O)NCCCn5ccnc5)c2cc1	1751
+c1cc(ccc1)CC(C(C(NC2CC2)=O)O)NC(c3c(-n4cc5ccccc5n4)nccc3)=O	1752
+c1ccccc1CN2C(CCC2=O)C(NC(Cc3ccccc3)C(C(NCc4ncccc4)=O)O)=O	1752
+C1CC1(C(=O)NC(CO)c2cc(Cl)ccc2)Nc3nc(ncc3Cl)Cl	1753
+CC(C)(C)OC(N1C(CC(C1)F)C(=O)NCc2ncc(c(-c3ccc(nc3)C(F)(F)F)c2)Cl)=O	1754
+FC(F)(F)c1cc(Oc2cc(ccc2)CN(C(NC3CCCCC3)=O)CCN4CCCCC4)ccc1	1755
+C1CN(CCO1)CCNC(=O)Nc2ccc3c(c2)ccc(n3)NC4CCc5c4cccc5	1756
+c1cc(ccc1NC(=O)NCCCl)-c2nc3n(ncc3)c(NCc4c(cc(cc4)Cl)Cl)c2	1757
+c1cc(ccc1)OC(NC2CC(CN(C2)C(=O)c3cccc(-c4occc4)c3)C(Nc5ccc(cc5)Cl)=O)=O	1758
+c1cc(ccc1)C(c2ccccc2)NC(c3c(O)nc(COCc4ccccc4)nc3)=O	1759
+c1cc(ccc1F)-n2ccc(n2)C(NC3CCN(c4nccn5c4nnc5)C3)=O	1760
+c1ccccc1COc2c(c(cc(OCc3ccccc3)c2)Oc4ccc(cc4)[N+]([O-])=O)-c5onc(C(=O)NCCF)c5	1760
+c1ccccc1-n2cnc(n2)C(NC3CN(c4nccn5ccnc45)CC3)=O	1761
+c1c2c(cc(c1)Cl)c(c[nH]2)CCNC(=O)c3noc(Cc4cccc(Cl)c4)n3	1762
+FC(F)(F)CNC(=O)c1ccc(cc1)C=O	1763
+FC(F)(F)c1cc(c(C(=O)NC2C(N)CCCC2)cc1)C3CC3	1764
+c1c(Cl)c(c(cc1)Cl)Cc2n(c3ccccc3n2)Cc4ccc(cc4)C(NCCCN5CCOCC5)=O	1764
+c1ccccc1CNC(c2cc(N3NC=C(C3=O)c4cccnc4)ncc2)=O	1765
+FC(F)(F)c1cc(C(NC2C(CN(CCNc3ncccn3)CC2)O)=O)ccc1	1766
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)Cl	1767
+C1CCCCN1S(=O)(=O)c2ccc(cc2)CNC(=O)c3ccn4nccc4c3	1768
+c1cc(ccc1N2C=CC=CC2=O)-n3cc(CNC(c4ccc5c(cc[nH]5)c4)=O)nc3	1769
+C1CCCC1(NC(=O)c2ccc3c(c2OCC4Oc5ccccc5OC4)cccc3)C(=O)OC	1770
+C1CN(CCC1CNC(=O)C2CCCCC2)S(=O)(=O)c3c4c(ccc3)cccc4	1771
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)Cl	1772
+C1CCCCN1S(=O)(=O)c2ccc(cc2)CNC(=O)c3ccn4nccc4c3	1773
+C1CSCCN1c2ncc(cc2)CNC(c3ccc(cc3)-c4cc(F)ccc4)=O	1774
+c1c(cc(c(Nc2c(C(NOCCOC=C)=O)ccc3cncn23)c1)F)Br	1775
+C1CC(CCC1(F)F)Oc2cc(c(C(=O)NS(=O)(=O)N3CCC3)cc2C4CC4)F	1776
+c1cc(ccc1)C2C(N3C(C4N(CCN(C4)C(Nc5n(-c6ccccc6)ncc5)=O)C3=O)=O)C2	1777
+c1ccccc1C(c2ccccc2)C(Nc3c(nc(COCc4ccccc4)nc3)O)=O	1778
+c1c(C(=O)Nc2c(ncnc2Cl)Nc3ccnc(Cl)c3)cc(F)cc1	1779
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC4OC(C)(C)OC4)n3	1780
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC4OC(C)(C)OC4)n3	1781
+c1cnccc1-c2ccc(cc2)C(C(Nc3ncccc3)=O)CC4CCCC4	1781
+CC(C)(C)OC(N1CCN(CC1)C(=O)Nc2noc3c2cccc3)=O	1782
+C1CC(CCO1)OC(c2cc(c(cc2)Cl)Cl)C(=O)Nc3sccn3	1783
+C1CCCCC1(C#Cc2ccc(cc2)C(C(=O)Nc3sccn3)CC4CCCC4)O	1783
+c1cc(ccc1C#Cc2ncccc2)C(C(=O)Nc3sccn3)CC4CCCC4	1783
+c1ccccc1COc2ccc(cc2)C(C(=O)Nc3sccn3)CC4CCCC4	1783
+c1cc(ccc1[N+](=O)[O-])C(=O)Nc2scc(COc3ccc(cc3)CCCCn4ccnn4)n2	1784
+C1CC1C(Nc2cc(ccc2)-c3ccc(nn3)N4CCN(CC4)C5CC5)=O	1785
+FC(F)(F)c1cc(cc(c1)NC(=O)C2CC2)-c3cnco3	1786
+C1CC1C(C(Nc2ccc(cc2)Cl)=O)Oc3c4c(cccc4)ccc3	1787
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(Nc4c(F)cc(cc4)F)=O)C5CCCCC5	1787
+FC(F)(F)c1cccc(CC(=O)Nc2ccc(Br)cc2C(=O)OC)c1	1788
+FC(F)(F)c1ccc(cc1)C2c3ccc(F)cc3CCN2C(=O)Nc4ccc(cc4)F	1789
+FC(F)(F)c1ccc(cc1)C2c3ccc(F)cc3CCN2C(=O)Nc4ccc(cc4)F	1790
+C1CN(CCN1)C(=O)Nc2cc(Cl)c(Cl)cc2	1791
+FC(F)(F)c1ccc(cc1)C2c3ccc(F)cc3CCN2C(=O)Nc4ccc(cc4)F	1792
+FC(F)(F)c1ccc(c(O)c1)NC(Nc2ccccc2)=O	1793
+CC(C)(C)OC(N1CC(c2ccc(cc2)NC(OC3CCC(F)(F)CC3)=O)CC1)=O	1794
+c1cc(ccc1)COC(=O)Nc2ccc(c(c2)F)-n3nc(cc3)-c4ccccn4	1795
+c1cc(ccc1)CN2CCN(CC2)c3ccc4c(C(OC(=O)N4)=O)c3	1796
+C(Oc1noc(C(Nc2cc(Cl)c(F)cc2)=O)c1)CCBr	1797
+FC(F)(F)C(c1c(cccc1)NC(c2occc2)=O)O	1798
+c1ccccc1NC(c2cnc(cn2)N3CC(C3)Oc4cc(ccc4Br)F)=O	1799
+FC(F)(F)c1cc(NC(=O)c2ccncc2)c(N3c4c(cccc4)CC3)cc1	1800
+c1cc(ccc1C2CCC(CC2)C(OC(C)C)=O)NC(c3cc(Cl)c(Cl)cc3)=O	1800
+c1(c(ccnc1Cl)NC(=O)c2c(Cl)cccc2F)F	1801
+c1ncncc1Oc2cc(NC(c3cccc(Cl)c3)=O)cc(c2)Cl	1801
+Clc1cc(cc(Cl)c1C(=O)Nc2cc(Cl)ncc2F)Cl	1802
+c1cc(ccc1NC(=O)c2c(F)cc(F)cc2)C(=O)N3Cc4c(Cc5ccccc35)cccc4	1803
+c1ccccc1NC(=O)c2cccc(-c3ccnc4n3ncc4C(c5sccc5)=O)c2	1804
+FC(F)(F)Oc1cc(c(O)cc1)NC(=O)c2c(cncc2)Cl	1805
+c1ccccc1COc2ccc(Cl)cc2Cn3cc(NC(c4c(Cl)cccc4F)=O)cn3	1806
+FC(F)(F)c1c(c(-c2nc(sc2)NC(=O)c3ccc(cc3)Nc4ccccn4)ccc1)F	1807
+c1cc(ccc1)COC=2C(C=C(CNS(=O)(=O)c3ccccc3Cl)OC=2C(=O)O)=O	1808
+c1ccccc1-c2ccc(cc2)-c3c(CCC(OCC)=O)con3	1809
+c1cc(ccc1)C(c2ccccc2)CC(N3CCN(CC3)CC(=O)OCC)=O	1810
+O=C(CNC(=O)C=1C(=O)N(Cc2c(F)cccc2)n3cccc3C=1O)O	1811
+c1cc(ccc1C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5)COCC(=O)OCC	1812
+c1cc(ccc1C(=O)c2cc(CC(=O)O)ccc2)Cl	1813
+c1cc(ccc1C(=O)c2cc(CC(=O)O)ccc2)Cl	1814
+C(c1ccc(Cl)c(c1)C(=O)O)C(=O)O	1815
+c1cc(ccc1)-c2c3c(no2)cc(cc3)CC(=O)O	1815
+c1cc(ccc1)-c2c3c(no2)cc(cc3)CC(=O)O	1816
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCC(=O)O	1817
+C1CN(CCN1C(=O)ON2C(CCC2=O)=O)Cc3ccc(Cl)cc3N4Cc5ncnn5CC4	1818
+c1cc(ccc1)COc2cccc(-c3nc(C(OCC)=O)cs3)c2OCc4ccccc4	1819
+c1cc(-c2cc3c(c(C(=O)NCC(=O)OCC)c2O)ncc(n3)-c4sccc4)cc(F)c1F	1820
+CC(C)(C)OC(=O)N1CC(CCC1)C(=O)c2cc(cc(Cl)c2)F	1821
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3ncc(-c4ncccc4)cc3	1822
+FC(F)(F)CCCOc1ccc(cc1)C(=O)C(F)(F)F	1823
+C1CN(CCN1c2cc(c(OCCCN3CCCCC3)cc2)F)C(=O)c4ccccc4	1824
+FC(F)(F)C(=O)N(Cc1ccnc2ccccc12)C3CC(Cc4ccccc4)N(CC3)C(=O)c5c(cccc5Cl)Cl	1824
+c1cc(ccc1)C(=O)N2CCN(CC2)C3(Cc4cccc(Cl)c4)c5ccc(cc5NC3=O)Cl	1824
+C1N(CC1N2CCN(CC2)C(=O)c3sccn3)C(=O)c4cc5CCN(c6ccc(cc6)F)c5cc4	1825
+FC(F)(F)c1ccc(cc1)NS(=O)(=O)c2cccc(C(=O)N3CCN4CCCCC4C3)c2	1826
+CC(C)(C)OC(N(c1ccncc1)CCOc2cc(cc(c2)Cl)C(=O)N(c3cccc(c3)F)CCCn4ncnn4)=O	1827
+C(c1ccc(O)c([N+]([O-])=O)c1)(N2CCOc3ccccc23)=O	1828
+C(c1ccc(O)c([N+]([O-])=O)c1)(N2CCOc3ccccc23)=O	1829
+c1(cc(cc(Br)c1O)C(N2c3c(nccc3)OCC2)=O)Br	1830
+c1c(F)cc(cc1C(=O)c2cc(c(F)cc2)C#N)F	1831
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)C(=O)OCC	1832
+Clc1cccc(c1)-c2onc(c2)C(=O)OCC	1833
+c1cc(ccc1)COc2cc(cc(Oc3ccc(cc3)[N+]([O-])=O)c2-c4onc(C(OCC)=O)c4)OCc5ccccc5	1834
+c1c(-c2ccc3OCOc3c2)ccc4C5C(=O)N(c6ncccc6)N=C5CCc14	1835
+O=S(=O)(C)c1ccc(C(C2C=NN(C2=O)CC)=O)c(C)c1OCCOC	1836
+c1cc(ccc1Cl)OCc2ccc(cc2)CNC3=C(Nc4ccncc4)C(=O)C3=O	1837
+FC(F)(F)c1ccc(cc1)CN2CCC(Br)C2=O	1838
+C1(=O)COCC(c2cc(ccc2)Br)(CO)N1	1839
+c1cc(ccc1)C2COCC(N2)=O	1839
+CC(C)(N1C(c2c(Cl)c(ccc2C1=O)F)O)c3ccccc3	1840
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)C3=NOC(N3)=O)OCC=C(Cl)Cl)Cl	1841
+N1C(C(c2c3c4n(c2)CCc4ccc3)=C(C1=O)c5c[nH]c6ccccc56)=O	1842
+c1cc(ccc1-c2cc(n3nccc3n2)NCc4c(cc(cc4)Cl)Cl)N5CCNC5=O	1843
+c1cc(ccc1NC(=O)C)N2CCNC2=O	1843
+C1CN(CCC1N2C(Nc3cc(Cl)ccc23)=O)C(=O)OCC	1844
+c1c(cc2c(C(=O)C(=O)N2)c1)Br	1845
+c1(-c2c(cccc2)F)c(cc3NC(Nc3n1)=O)-c4c(cncc4)F	1846
+FC(F)(F)c1c2N=C(N(c3c(Cl)cccc3)C(=O)c2ccc1)CCl	1847
+c1cc(ccc1-c2ccc(s2)C(=O)CCc3c(c(c(O)cc3)Cl)Cl)Br	1848
+C1CCCC1CCCC=O	1849
+c1ccccc1CN(CCCCCCOCCCc2ccccn2)CC(c3ccc(O)c(CO)c3)=O	1850
+C1CC(CCC1)N(CCCCCC=O)C(c2ccccc2)=O	1851
+c1c(ccc(c1Cl)Cl)CCCC=O	1852
+c1cc(ccc1)CON2C(=O)N3C(CCC2C3)C=O	1853
+O=C1c2ccccc2C(=O)N1CC3Cc4c(O3)c5c(CCC5)cc4	1854
+C1(c2c(C(=O)N1CC3COCC3)cccc2)=O	1855
+c1cc(ccc1[N+]([O-])=O)Cn2c3c(cc(Br)cc3)cc2C(=O)OCc4ccccc4	1856
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(OC)=O	1857
+FC(F)(F)Oc1ccc(cc1)-n2ncc3c2ccc4c3ccc(c4)C=O	1858
+C1CCCN1CCc2cc(C=O)[nH]c2	1859
+c1ccccc1CN(Cc2ccccc2)c3nccc4c3[nH]c(C=O)c4	1859
+n1c(SCC(=O)NCC2CN(CCO2)Cc3ccc(c(c3)Cl)Cl)scc1C=O	1860
+Clc1cccc(c1)-c2onc(c2)C=O	1861
+n1n2CCOCc2cc1C=O	1861
+c1cc(ccc1)COc2c(ccc(C=O)n2)[N+]([O-])=O	1862
+c1cc(ccc1-c2cc3c(cc2Cl)[nH]cc3C=O)C4(CCC4)C(O)=O	1863
+c1ccccc1-c2sc3c(c(ccc3)C=O)n2	1864
+c1cc(ccc1Nc2c(cnc3c2cc(cc3)Cl)C=O)Cc4ccccc4	1865
+O=S(=O)(n1ccc2c1cccc2)c3cc(C=O)c(cc3)Br	1866
+Clc1ccc(c(C=O)c1)-n2nnnc2	1867
+c1cc(ccc1)-c2c(C=O)cc(cc2)Br	1867
+c1ccccc1-c2cc(Br)ccc2C=O	1867
+c1ccccc1-c2cc(Br)ccc2C=O	1868
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)N=C=O	1869
+c1cc(ccc1F)COc2cc(c(N=C=O)cc2)F	1870
+CC(C)(C)OC(=O)N1CC(CS(Cc2ccc(cc2)F)=O)CC1	1871
+C1CC1COc2cc(ncc2)CS(c3nc4c(cc(F)cc4)[nH]3)=O	1872
+FC(F)(F)c1nn(-c2ccc(cc2)CNS(=O)(=O)C3CCCC3)c4c1CCCC4	1873
+FC(F)(F)S(=O)(=O)Nc1cc(OCc2nc3ccccc3cn2)ccc1	1874
+FC(F)(F)c1cc(c(cc1)S(=O)(=O)Nc2cc(Cl)c(c(c2)Cl)Sc3ccc4ccccc4c3)Cl	1875
+FC(F)(F)c1ccc(c([N+]([O-])=O)c1)S(=O)(=O)Nc2c3c(c(cc2)F)cccn3	1876
+O=S(=O)(Nc1cccc2nccnc12)c3c([N+](=O)[O-])cccc3	1876
+c1ccccc1-n2nc3ncc(NS(=O)(=O)c4ccccc4)cc3c2	1877
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)-c3ccc(Cl)cc3CO2	1878
+C1COCCN1S(=O)(=O)c2cc(ccc2OC)F	1879
+c1cc(ccc1)S(=O)(=O)N2CC(c3cn4c5c(cccc35)CCC4)C(c6c[nH]c7c6cccc7)C2	1880
+CC(C)(C)OC(N1CC2CC(CC(C1)N2S(=O)(=O)c3ccc(cc3)Cl)=O)=O	1881
+O=S(=O)(C)c1ccc(C(=O)c2cnn(CC)c2OC(=O)SCC)c(c1OCCOC)C	1882
+O=S(=O)(C)c1ccc(C(=O)c2cnn(CC)c2OC(=O)SCC)c(c1OCCOC)C	1883
+CC(C)(C)Sc1ccc(c(c1)Cl)Cc2c3c(ccc(c3)C(NS(=O)(=O)CCCCC)=O)[nH]c2C	1884
+O=S(=O)(C)NC(c1ccc(c(Cl)c1)OCc2cc(F)c(cc2)F)=O	1884
+CC(C)(C)[Si](C)(C)OCCn1ncc(c1)-n2c3c(c(Sc4cccc(c4)C(OCC)=O)c2C)ccc(c3F)Cl	1885
+C1CCCCC1n2ncc(C(=S)N)c2-c3ccc(cc3)F	1886
+Clc1cc(cc(Cl)c1C2CC2)N=C=S	1887
+c1(nc2c(nc(Cl)c(C#N)c2)n1C)C	1888
+C1COCCN1C(c2ccc(OCc3c(noc3C)-c4ccncn4)nc2)=O	1889
+CN(C)C(=O)c1cn2c(nnc2c(NCc3c(cccc3CC)C)c1)C	1889
+C1CCCCN1C(c2cc(C)c(Nc3cnc(C)cc3)nc2)=O	1890
+FC1(F)CCCC(C1)CNC(=O)c2cc(n3cccc(Cl)c23)CCOC	1891
+c1ccccc1C(CO)NC(=O)c2cnc3c(cnn3CC)c2NC4CCOCC4	1891
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)c3cncc(C(=O)Nc4ccc(cc4)Cl)c3	1892
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(=O)OCC)Cl)CC#N	1893
+Cc1nccc(C)c1CCl	1894
+FC(F)(F)c1ccc2c(c(cnc2c1)CCl)O	1894
+N1(c2c(C(=O)N(c3ccc(Cl)nc13)C)cc(CCl)cn2)CC	1895
+C1CN(CCC1N2CCCCC2=O)Cc3c(-c4ccccc4)nc5ccccc5c3C(OC)=O	1896
+c1(C(NCc2cc3c([nH]c(C(=O)OC)c3)nc2)=O)c(C)ccc([N+]([O-])=O)c1	1897
+CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12	1898
+CC(C)(C)Oc1ccc(CO)cn1	1899
+c1cc(ccc1OCc2cc3c(nc2)N(c4nc(Cl)ccc4N(C)C3=O)CC)O	1900
+O(c1c(Cl)ncc(CO)c1)C	1901
+O(c1c(cc(CC)c(C)n1)C=O)C	1902
+c1(ccncc1N2CCNC2=O)C	1903
+[nH]1c2c(c(NC(c3nccnc3)=O)c1)c(F)c(cn2)Br	1904
+FC(F)(F)c1cccc(c1)C(Nc2cc(c(C)nc2)I)=O	1905
+c1cc(ccc1Cn2c(cc(NCc3ccccc3)c2)C(=O)C)F	1906
+C1CN(CCN1c2ccc(cn2)Nc3ncc4scc(-c5cccc(C(NC6CC6)=O)c5)c4n3)CC	1907
+C1CN(CCN1c2ncc(cc2)Nc3nc4c(c(N)n3)scc4-c5cc(ccc5)NS(=O)(=O)C)CC	1908
+O=S(=O)(N1CC2(C(=O)c3ccccn3)C(=Cc4c(cnn4-c5ccc(cc5)F)C2)CC1)c6ccc(Cl)nc6	1909
+C1CCCCC1Oc2ccc(cc2)Cc3noc(c3)-c4ccc(N)nc4N	1910
+c1cc(ccc1F)-c2nc3n(c2)c(c(s3)C(N)=O)C	1911
+C1CCCCC1c2nc(c(C)o2)C(=O)Cl	1912
+Fc1cccc(F)c1COc2cccn3c2nc(C)c3C(=O)NCC(CC(C)C)(N)C	1913
+c1c(F)c(c(cc1)F)COc2c3n(c(c(C)n3)C(NC4Cc5c(cccc5)NC4)=O)ccc2	1914
+c1cc(ccc1F)CN2C(N(CC2)c3nc(c(C(=O)NCc4ccccn4)s3)C)=O	1915
+c1ccccc1CCCc2cn(nn2)-c3sc(C(NCc4cnccc4)=O)c(C)n3	1915
+CC(C)CN1C(N(CC1)c2nc(c(C(=O)NCc3ccn(C)n3)s2)C)=O	1916
+c1cc(ccc1CNC(=O)c2sc(nc2C)N)Cl	1916
+CN(C)c1nccc(-c2c(nc3n2cccc3)CN(C4CCCc5c4nccc5)C)c1	1917
+CN(C)c1nccc(-c2c(nc3n2cccc3)CN(C4CCCc5c4nccc5)C)c1	1918
+CN(C)c1nccc(-c2n3ccccc3nc2C=O)c1	1919
+FC(F)(F)c1ccc(cc1)CNc2nc(c(c(N)n2)NC(CC3CCCC3)=O)C	1920
+CC(C)OB(O)c1ccc2c(CCCC2)c1	1921
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(ccc(F)c3)F	1922
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(cccc3F)F	1922
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(ccc(F)c3)F	1923
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(cccc3F)F	1923
+CC1(C)OB(OC1(C)C)c2c(F)cc3c(c2)CCC(=O)N3C	1924
+c1c(cc(-c2ccc(cn2)C)c(Cl)c1)Br	1925
+c1(cccc(F)c1Oc2ccc(cc2)I)F	1926
+c1cc(ccc1Oc2c(ccc(F)c2)F)I	1926
+c1cc(ccc1CCO)Nc2nc(C)cc(C)c2[N+]([O-])=O	1927
+CC(C)(C)OC(=O)C1CCN(CC1)c2c(C#N)cc(C(=O)OCC)c(n2)C	1928
+CC(C)c1n2c(nn1)c(ccc2C)C(OC)=O	1929
+Clc1ccc(CC)c(-c2c(C(=O)N)cc(-c3c(cnc(N)n3)Br)[nH]2)c1	1930
+FC(F)(F)Oc1ccccc1-c2cc(c(n2CC3OCCC3)C)C(=O)NC4CCCCC4	1931
+O=S(=O)(c1cc(C(Nc2ccc(c(Br)c2)F)=O)c(C)s1)Cl	1932
+CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1	1933
+c1cnc(C(=O)Nc2cc(c(-c3cccnc3)nc2N)-c4c(cncc4)F)cn1	1934
+c1cc(ccc1C(Nc2c3ccc(Br)cc3n(c2C(=O)OCC)Cc4cccc(Cl)c4)=O)Cl	1935
+c1cc(ccc1)-c2scc(n2)COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC	1936
+FC(F)(F)c1ccc2S(=O)(=O)Nc3c4c(cccn4)c(cc3-c2c1)F	1937
+O=S1(=O)c2ccccc2-c3c(c4nccnc4cc3)N1	1937
+c1ccccc1-c2scc(COc3cccc4oc(cc34)-c5nc6n(c5)nc(OC)s6)n2	1938
+FC(F)(F)c1c([n+]([O-])c(cc1)Cl)Cl	1939
+C1CCCCC1(c2ccc(cc2)CNC(c3c(C)nc4ncccc4c3)=O)O	1940
+FC(F)(F)c1ccc(C(NC2CCC2)=O)c(O)n1	1941
+N#CCc1c(C)nccc1	1942
+O(c1c(CCl)cc(F)c(C)n1)C	1943
+O(c1c(CCl)cc(F)c(C)n1)C	1944
+c1(CCl)c(C)nccc1	1945
+c1cc(ccc1C(Nc2c(CNC(=O)C3NC(CC3)=O)cc(F)c(Nc4[nH]nc(c4)C5CC5)n2)C)F	1946
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(c3ccc(c(c3)F)CNS(=O)(=O)C)C	1947
+O(c1c(CO)cc(F)c(C)n1)C	1948
+c1ccccc1C=C2c3nc(C)c(cc3CCC2)C=O	1949
+C1CN(CCN1c2ccc(NC(c3cc(C#N)c[nH]3)=O)c(N4CCC(CC4)C)n2)C	1950
+O(c1c(c(cc(c1OC)OC)C)C(c2c(c(Br)cnc2OC)Cl)=O)C	1951
+O(c1cccnc1OCC(OC)=O)C(C)=O	1952
+O(CC(=O)OC)c1c(O)cccn1	1953
+O(CC(=O)OC)c1c(O)cccn1	1954
+O1CCOC1c2cnc(c(-c3nc(SC)nc(n3)C)c2)F	1955
+c1(ocnc1)-c2cc(ncc2)-c3c(C)ccnc3OC	1956
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2nccnc2C(Nc3ccc(cn3)C)=O)=O	1957
+C1CN(CCN1C(Nc2c(nc3c(ccc(F)c3)n2)OC)=O)c4cc(ccc4)C	1958
+CC(C)(C)Nc1nc(c(cn1)C(N)=O)SC	1959
+c1(c(NC)nc(SC)nc1)C=O	1960
+c1cc(CNc2nc(SC)ncc2C=O)cc(Cl)c1OC	1960
+CC(C)(C)CN(C)c1c(c(ncn1)Nc2cc(C(NC)=O)ccc2C)NC(=O)C	1961
+O=S(=O)(NC1CCC(CC1)O)c2c(ccc(-c3cnc(N)nc3C)c2)Cl	1962
+n1c(-c2cccc(C(OC)=O)n2)cccc1CN	1963
+C1CC(CCN1c2c(ccc(C)n2)C#N)=CC#Cc3cc(F)cc(F)c3	1964
+CC(C)c1nc(N2CCNC(C)C2)c(C#N)c(-c3ccccc3)c1	1965
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1966
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1967
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1968
+c1cc(ccc1-n2cccn2)-c3ccc(cc3)-c4nc5c(NC(=O)C5)cc4Cl	1969
+c1cc(ccc1)CCC=2C(=O)N(Cc3ccccc3)c4c(C=2)c(O)c(C(OC)=O)nc4-c5cnccc5	1970
+FC(F)(F)c1c(nc(cc1)Cl)Cl	1971
+FC(F)(F)c1c(nc(cc1)Cl)Cl	1972
+CN(C)c1c(C#N)ccc(Oc2cc3COB(c3cc2)O)n1	1973
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCN(C(CC(C)C)=O)C3)C(N)=N1	1974
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCN(C(CC(C)C)=O)C3)C(N)=N1	1975
+c1c2c(ccc1OC)C(C(=O)N2)=Cc3c(CCCO)c4c([nH]3)CCCCC4	1976
+C1CN(CCN1)c2c(F)cc3c(NC(=S)N3)c2	1977
+C1(Nc2cccc(c2OC1)CC=C)=O	1978
+C1(COc2c(c(F)c(cc2)CCCl)N1C)=O	1979
+c1nc(c2n1-c3c(c(ccc3)CC=C)OC2)C(=O)OCC	1980
+N#Cc1cc2c(CCCC2)c(c1OC)I	1981
+O(CCOC)c1cc(C(C#N)C(=O)C)ccc1OCCOC	1982
+O(CCOC)c1cc(C(C#N)C(=O)C)ccc1OCCOC	1983
+O(CCOC)c1cc(C(C#N)C(=O)C)ccc1OCCOC	1984
+FC(F)(F)C(c1cc2c(cc1F)OCC(N2C)=O)(C(C)c3ccc(Br)cc3Cl)O	1985
+C1CC(CCC12OCCO2)c3c(cc(OCOC)cc3)OCOC	1986
+C1CC(CCN1Cc2ccccc2)c3ccc(cc3)OC	1986
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C)cccc2F	1986
+CC(C)(C#N)c1cc(C)c(C(C)NC(=O)Cn2c3c(cccc3nc2)F)cc1	1987
+CC1(C)CCCc2cc(C(C)OC(C)=O)c(c(Br)c12)OC	1988
+c1cc(ccc1)COc2c(cccc2-c3ccccc3)C(c4cc(ccc4)-c5c(cccc5)OC)C	1989
+c1cc(ccc1C)C2c3c(cc(Br)cc3)CN(C2)C	1990
+CC(C)C(c1ccc(c(c1)[N+]([O-])=O)NC)n2cncc2	1991
+C(=NO)(C)c1c(C)cc(OC)c(C)c1	1992
+N(O)=C(CNC(C)=O)c1cccc2ccc(OC)cc12	1992
+Cc1c(OC)cc(c(C(C)=O)c1)C	1993
+c1c(cc(c(OC)c1C(C)=O)OC)Cl	1993
+c1cc(ccc1-c2cc(c(cc2)OC)C(C)=O)C#N	1993
+COc1cccc(C(=O)C)c1Br	1994
+C1CCC(C1)CC(C(OC)=O)c2cc(c(SC)cc2)Cl	1995
+c1(C)cc(C(CNCCO)O)ccc1[N+]([O-])=O	1996
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(=O)CC(=O)c3cc(-n4ccnc4SCOC)ccc3)=O	1997
+CC(C)(C)OC(=O)Nc1c(cc(-c2cc(ccc2F)F)cc1)NC(CC(=O)c3cccc(C#N)c3)=O	1998
+FC(F)(F)c1c(cc(c(c1)NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)NC(=O)OC(C)(C)C)N4CCSCC4	1999
+c1cc(ccc1C(Cl)c2ccc3c(c2)c(cc(n3)O)-n4ccnc4)Cl	2000
+ClC(c1cc(C)c(cc1)[N+]([O-])=O)=NO	2001
+CC(C)COc1c(CCC(OCC)=O)cc(C(c2c(OCC(C)C)cc(OCC(C)C)cc2)N)cc1	2002
+NC(=O)c1cc2c(CCCC2)c(c1OC)I	2003
+c1cc(ccc1C(N)=O)-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C	2003
+CC(C)(C)OC(=O)c1ccc(cc1)CN2C(=C(c3ccccc3)c4c(ccc(C(=O)N)c4)C2=O)C(=O)OC	2004
+CC(C)(C)OC(c1ccc(cc1)N(c2cc(OC)c(cc2)C(N)=O)Cc3scnc3)=O	2004
+Cc1cc(cc(C)c1F)C(NCCc2ccc(cc2)C(C)C)=O	2005
+c1cc(ccc1C)C(Nc2cncc(Br)c2)C(N)=O	2006
+FC(F)(F)c1cc(C2(SCCCS2)C(O)c3cc(c(cc3)OC(F)F)C)ccc1	2007
+FC(F)(F)c1cc(cc(Cl)c1N)C(O)CN(Cc2ccccc2)CCCCCCOCCc3ncccc3	2008
+FC(F)(F)C(Oc1cc(nc(N)n1)Cl)c2c(cccc2)-c3cscc3C	2009
+c1c2c(OCCO2)cc(C(c3c(ccc(I)c3)Br)=O)c1	2010
+c1cc(ccc1F)CN2C(=O)C(=C(Cl)c3cc(C)ccc23)C#N	2011
+CC(C)c1cc2c(CCN=C2c3cc(C)c(c(c3)C)F)cc1	2012
+c1cc(ccc1C(Cl)=NO)C	2013
+CC1(C)OB(O)c2c1cc(C(=NO)Cl)c(F)c2	2014
+CC1(C)OB(O)c2c1cc(C(=NO)Cl)c(F)c2	2015
+C[Si](C)(C)c1cc(C(C(=O)c2cc(ccc2)Br)=O)ccc1	2016
+c1c(c(C(Cl)=O)cc(-c2nnn[nH]2)c1)OC	2017
+c1cc(ccc1OCCCN(C)C)C(Cl)=O	2017
+FC(F)(F)C=1N(C)C(=O)N(c2cc(c(Cl)cc2F)C(=O)Cl)C(=O)C=1	2018
+Clc1cc(cc(Cl)c1OCCCCCCCCCCCC)C(Cl)=O	2019
+c1(C(=O)Cl)cc2c(C(=O)c3c(O2)cccc3)cc1	2019
+c1cc(ccc1-c2ccc(cc2)C(Cl)=O)OCCCCl	2019
+c1cc(ccc1C(Cl)=O)OCC#CC	2019
+c1ccccc1CC(NCCc2c3c(ccc2)ccc(c3)C(=O)Cl)=O	2020
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	2021
+COc1c(C(Cl)=O)c(ccc1)CCCCCCCCCCCCCCC	2022
+C(Cl)(=O)c1ccc(C#N)cc1C	2023
+C1CCCC1Oc2cc(C(=O)Cl)ccc2SC	2023
+CC(C)(C)c1c(c(cc(c1)C(=O)Cl)C#N)OC	2023
+CC(C)N1C(C(Oc2cc(C(Cl)=O)ccc12)CC)=O	2023
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	2024
+C1CN(CCN1C(=O)c2c(cc(cc2)Br)S(=O)(=O)C)c3ncc(cc3C4CC4)C5CC5	2025
+C1CN(CCC1)CCOC2CCN(CC2)C(c3c(ccc(c3)Cc4c5c(c(O)nn4)cccc5)F)=O	2026
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(c3cc(S(=O)(=O)C)ccc3SCC)=O	2026
+C1CC1OC2CC(CO)N(C(c3cc(c4c(c3)nc(NCc5nccc(Cl)c5)o4)OC)=O)C2	2027
+C1CN(CCC1C(=O)N2CCN(CC2)C(c3ccc(cc3)C#N)=O)c4ccncn4	2028
+C1CCN(C1)C(=O)c2ccc3c(c2)Oc4c(cccc4)C3=O	2029
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCCl	2029
+C1CC1OC2CC(CO)N(C(c3cc(c4c(c3)nc(NCc5nccc(Cl)c5)o4)OC)=O)C2	2030
+C1CCN(C1)C(=O)c2ccc3c(c2)Oc4c(cccc4)C3=O	2030
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCCl	2030
+CC(C)(C)OC(C(C)(C)Sc1nc(CCOc2ccc(-c3ccc(cc3)F)cc2C(N4CCOCC4)=O)cs1)=O	2030
+CC(C)(C)OC(NC1CN(CCC1)C(c2ccc(c(c2)[N+](=O)[O-])NC)=O)=O	2030
+CC(C)(C)OC(c1ccc(cc1[N+](=O)[O-])C(=O)N2CCCCC2)=O	2030
+c1cc(ccc1C(N(C)C)=O)CNC(N2C(C)CN(c3ccc(c(Cl)c3)C#N)C(C)C2)=O	2030
+C1C2CC1N(C2)C(=O)c3ccc(c(F)c3)Oc4cc(cc(c4)OC(C)CO)C(=O)Nc5nn(C)cc5	2031
+C1CC2(CCN1C(=O)c3cc(OC)c4c(n(C5CC5)cc4)c3)Oc6ccc(-c7cc(ccc7)C(O)=O)cc6C(=O)C2	2031
+C1CN(CCO1)C(=O)c2ccc(cc2)Nc3c4n(ccn4)cc(Br)n3	2031
+C1C(CC1)N(C)C(c2cc(ccc2OC)Oc3c(cc(cc3Cl)COC)Cl)=O	2032
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)NCC3CC3	2033
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2nc3c(o2)cc(cc3)C(N(C)C)=O)cc1)C	2034
+CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(c3ccc(cc3)-c4oc5c(C(C)C)cc(C#N)cc5n4)=O)C2	2034
+c1(I)ccc(C)cc1C(=O)N2C(C)CCCC(COc3ccc(c(C)c3)F)C2	2035
+c1cc(ccc1C(=O)N2c3ccccc3CCc4ccccc4C2)NC(c5c(cccc5)C)=O	2036
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3CCc4nncn4-c5c3cccc5	2036
+C1N(C(=O)c2c(cc(I)cc2)OC)c3c(Cn4c1ccc4)cccc3	2037
+c1cc(ccc1-c2cccc(C)c2)C(N3Cc4cccn4Cc5ccccc35)=O	2038
+CC(C)(C)c1cc(C(=O)N2c3ccccc3SC2)cc(C#N)c1OC	2039
+CC(C)(C)c1cc(C(=O)N2c3ccccc3SC2)cc(C#N)c1OC	2040
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3CCc4nncn4-c5c3cccc5	2041
+C(C)C(CC)(c1cc(c(C#CC2(CCCC2)O)cc1)C)c3cc(c(C(NC(C)(C)C(OC)=O)=O)cc3)C	2042
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	2043
+C1CN(CCN1CCNC(=O)c2c(OC)c3c(c(Br)c2)cccc3)c4c(c(Cl)ccc4)Cl	2044
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	2045
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	2046
+c1cc(ccc1NS(=O)(=O)C)C(NCCN2CCSCC2)=O	2046
+C(c1ccc(C)nc1)NC(=O)c2cc(cc(c2)-c3ccc(cn3)C)Br	2047
+C1CC(CCN1C(N)=N)CNC(=O)c2cc(OCCc3c(Cl)cc(Cl)cc3)c(OC)cc2	2047
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	2047
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)C(NCCOc3cc(ccc3)C#N)=O)=O	2047
+CC(C)(C)OC(N(C)C1c2c(C(c3ccc(c(Cl)c3)Cl)CC1)ccc(C(=O)NC4CC4)c2)=O	2047
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)O)ccn2)=O	2047
+CC(C)(C)ON=C1c2c(OC(=C1)c3ncn4c(c3)ccc4)ccc(c2)C(=O)NCCN5CCOCC5	2047
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3c(OC)cc(C(=O)NS(=O)(=O)c4ccccc4C)cc3)cn(C)c2cc1	2047
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(=O)NCCC(=O)OC	2047
+Nc1c2c(CCCN2C)c(cc1C(NC3CCCCC3O)=O)Br	2047
+O=C(Nc1cc(ccc1C)C(NCc2cccc(Cl)c2)=O)c3cc4cc(OC)c(OC)cc4nc3O	2047
+c1cc(ccc1)C(N(S(=O)(=O)c2ccc(cc2)Cl)Cc3ccc(cc3)C(=O)NCCCOC)CC	2047
+c1cc(ccc1)OCC(Nc2ccc(cc2)C(=O)NCCC(OCC)=O)c3oc4c(cccc4)c3C	2047
+c1cc(ccc1-c2c(C)ccc(NC(=O)c3ccoc3)c2)C(=O)NCCCN4CCOCC4	2047
+c1cc(ccc1C(=O)NCCC(=O)OC)C(=O)CCC	2047
+c1cc(ccc1C(NCc2c(nc(C)cc2C)O)=O)C(C)OCC	2047
+c1cc(ccc1C(c2cc(OC)c(OC)cc2)=O)C(NCCOc3cc(ccc3)C#N)=O	2047
+c1cc(ccc1CCNC(=O)c2cc(-n3cnnn3)cc(-c4ncccc4OC)c2)F	2047
+c1cc(ccc1CN2c3c(C(=O)N(C2=O)Cc4ccc(cc4)C(NCC5COC5)=O)cccc3)C	2047
+c1nc(ncc1C)C2(CC2)NC(c3ccc(C)c(c3)-c4cc5c(c(-c6ccc(cc6)F)oc5cc4)C(=O)NC)=O	2047
+n1cc(cnc1C)C(NC(=O)c2cc(-c3ncc(C)cc3)cc(OC)c2)C	2047
+C1CC(CCO1)NC(=O)c2c(Oc3ccc([N+]([O-])=O)cc3F)cc4cnn(C5OCCCC5)c4c2	2048
+c1ccccc1CNC(c2cccc(c2)-c3ccc(cc3)C=C4SC(=O)NC4=O)=O	2048
+FC(F)(F)c1cc(SC)c(C(=O)NC2(c3ccccc3)CCCN(C(=O)OCc4ccccc4)C2)c(OC)c1	2049
+Clc1ccc(c(Cl)c1)CCNC(c2ccc3c(c2)ccn3-c4ccc(CC(OC)=O)cc4C#N)=O	2050
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	2050
+C1C2CC3CC(CC1C3N(CC(COc4ccccc4C(NCc5ccc(cc5)C6(N=N6)C(F)(F)F)=O)O)C)C2	2051
+C1CC1NC(=O)c2cc(C=3C(=O)N(C)c4nc(ncc4C=3)SC)c(C)cc2	2051
+CC(C)Oc1ccc(C#C)cc1C(NC(CO)Cc2c[nH]c3ccccc23)=O	2051
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(c3ccc(cc3)C(=O)NCC(O)C(OC)=O)C(C)C	2051
+c1cc(ccc1)CCNC(=O)c2ccccc2NC(=O)c3ccc(OC)c(Cl)c3	2051
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	2052
+c1(F)cc(cc(F)c1)CC(C(CNCc2cccc(OC)c2)O)NC(c3cc(cc(c3)C(=O)N(CCC)CCC)C)=O	2053
+FC(F)(F)c1cc(SC)c(C(=O)NC2(c3ccccc3)CCCN(C(=O)OCc4ccccc4)C2)c(OC)c1	2054
+c1cc(ccc1C(=O)NN=C2c3cc(I)ccc3NC2=O)NC(CCCCC)=O	2055
+c1cc(ccc1NC(CCc2cc3c(OCO3)cc2)=O)C(NN=C4c5c(ccc(c5)Br)NC4=O)=O	2055
+c1cc(ccc1C(NN)=O)CCCCCCCCCCCC	2056
+c1ccccc1C(Nc2ccc(cc2)Cc3cn(C)c4ccc(C(=O)NO)cc34)=O	2057
+C1CC(CCC1)c2c3ccc(C(=O)NS(=O)(=O)C4CC4)cc3n5CC(C(=O)OC)=Cc6cc(OC)ccc6-c25	2058
+C1CC1c2c(cc(c(c2)C(NS(=O)(=O)C3CC3)=O)F)OCC4CCN(CC4)S(=O)(=O)C	2059
+O=S(=O)(c1ccccc1C)NC(c2ccc(Cc3c4c(ccc(c4)C(OC)=O)n(C)c3)c(OC)c2)=O	2059
+C1CN(CCN1CC)c2cc(C#N)c3c(C(N(c4cc(ccc4C)C(=O)Nc5ccon5)C=N3)=O)c2	2060
+C(C)c1cccc(CC)c1C(=O)Nc2sc(nn2)C(CC)(CC)C	2061
+c1cc(ccc1Oc2cc(cc(C(Nc3sccn3)=O)c2)OC4C(=O)N(C)CC4)-c5oc(C)nn5	2062
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnc(cc2)NC(N3CCCC3)=O)F)CCC	2063
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnc(cc2)NC(N3CCCC3)=O)F)CCC	2064
+c1cc(cc([N+]([O-])=O)c1SC)C(Nc2cnc(cc2)-c3ccccc3F)=O	2065
+c1cc(ccc1OCCCCCC)C(Nc2c(cccc2)Oc3cccc(OC(c4[nH]nnn4)C)c3)=O	2066
+C1CC1c2cc(c(cc2)F)NC(c3cc4c(nc(Nc5c(cccc5Cl)Cl)[nH]4)c6c3OC(C)(C)C6)=O	2067
+c1cc(ccc1C(Nc2ccc(cc2)N3C4C(CC3)N(C)CC4)=O)OCCCC	2067
+c1cc(ccc1N2CCN(CC2)Cc3cccc(C#N)c3)NC(=O)c4cccc(c4-c5ccc(cc5)C(C)C)C	2067
+FC(F)(F)c1cc(ccc1-n2cnc(c2)C)C(Nc3ccc(C)c(c3)NC(c4csc5c4ncnc5NC6CC6)=O)=O	2068
+FC(F)(F)c1c(ccc(NC(=O)c2c(CCCCCCCCCCCCCCC)cccc2OC)c1)C#N	2069
+c1cc(ccc1OCCCCCC)C(Nc2c(cccc2)Oc3cccc(OC(c4[nH]nnn4)C)c3)=O	2069
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(Nc4ccccc4)=O)CNC(C)=O	2070
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(OC)=O)CNC(=O)NC	2070
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc3c(nc(o3)-c4cccc(c4)NC(=O)c5cccc(c5)N(C)C)n2	2071
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3Cc4cccn4Cc5c3ccs5	2071
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(F)ccc2C(=O)Nc3c(cccc3)C(Nc4ccc(Cl)cn4)=O	2072
+c1cc(ccc1C(OCC)=O)NC(c2ccc3c(N(S(=O)(=O)c4c(OC)ccc(Cl)c4)CCO3)c2)=O	2072
+c1cc(ccc1NC(c2ccc3c(c2)C(C)(C)CCC3(C)C)=O)C(Nc4c(N)cccc4)=O	2072
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(F)ccc2C(=O)Nc3c(cccc3)C(Nc4ccc(Cl)cn4)=O	2073
+Clc1cncc(Cl)c1NC(c2ccc(SC)c(OC3CCCC3)c2)=O	2074
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccccc3-c4sc(CC(OC)=O)cc4)=O)c2	2074
+c1cc(ccc1C#N)NC(c2ccc(OC)cc2[N+]([O-])=O)=O	2074
+c1ccccc1NC(=O)c2c(Cl)cccc2C	2074
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(OCc2nnn(Cc3ccccc3)c2)=O	2075
+c1cc(ccc1)CN2CCC(OC(=O)c3cc(c(cc3)[N+]([O-])=O)OC)C2	2076
+O=C1CCC(=O)N1OC(=O)c2c(OCCCN=[N+]=[N-])ccc(c2)C(=O)C	2077
+FC(F)(F)c1ccc(cc1)C(c2c(c3C(CC(C)(C)Oc3cc2C(C)C)=O)C4=CCCCC4)=O	2078
+C1COCCN1CCn2c(C)c(c3ccc(cc23)Cl)C(=O)c4c5c(cccc5)c(cc4)C	2079
+O=S1(=O)CCN2CCCC(c3ccc(cc3)Oc4ccc(F)c(C)c4)C2=N1	2080
+c1cc(ccc1C(=O)OC)C2C=CC=[N+]([O-])C2=O	2081
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4cccc(C)c4	2082
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4cccc(C)c4	2083
+FC1(F)CCC2(CC1)C(=C(C(N2)=O)c3c(C)ccc(c3)-c4cc(c(Cl)cc4)F)O	2084
+CC(C)(C)c1cccc(C2=NN(C(C2=CN)=O)c3sc4c(cccc4)n3)c1	2085
+CC(C)(C)c1cccc(C2=NN(C(C2=CN)=O)c3sc4c(cccc4)n3)c1	2086
+c1(c(c(ccc1C)Cl)Nc2ccccc2C3=NNC(=S)O3)Cl	2087
+FC(F)(F)C1(CC(=NO1)c2ccc3c(C(C)(C)OB3O)c2)c4c(c(c(c(c4)Cl)F)Cl)F	2088
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(cc3)C	2089
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(cc3)C	2090
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	2091
+FC(F)(F)C1(CC(=NO1)c2ccc3c(C(C)(C)OB3O)c2)c4c(c(c(c(c4)Cl)F)Cl)F	2092
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	2092
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	2093
+c1cc(ccc1F)CCc2c(cc(CBr)cc2)C(OC)=O	2094
+c1cc(ccc1C)-c2oc(C)c(n2)Cc3cccc(CBr)c3	2095
+c1cc(ccc1OC(=O)C)CBr	2095
+C(Br)c1cc(c(Cl)cc1F)OC	2096
+C(Br)c1cc(cc(C)c1OC)Br	2097
+CC(C)c1cc(cc(C(C)C)c1CBr)C(C)C	2098
+Fc1cc(CBr)c(F)cc1Cl	2099
+C1CN(CCN1c2ccc(c(Cl)c2)CBr)CC	2100
+FC(F)(F)c1cc(CBr)c(cc1)Oc2cccc(c2)C(C(=O)O)C	2100
+N#Cc1cc(F)c(cc1F)CBr	2100
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CBr)cc1)Br)CC	2100
+c1c(c(Cl)cc(c1)CBr)OCC=C	2100
+c1cc(cc(OCCC)c1OC)CBr	2100
+c1cccc(CCCCCCCCC)c1CBr	2100
+O=S(=O)(N)c1c(c(SC)cc(CBr)c1)Cc2ccccc2	2101
+C(c1ccc(OCC)cc1C)Br	2102
+C(c1cccc2ccc(OC)cc12)C#N	2103
+C(OC)COc1c(OCCOC)cc(cc1)CC#N	2104
+c1(cc(CC#N)cc2c1OCO2)OC	2104
+C(c1cccc2ccc(OC)cc12)C#N	2105
+c1(cc(CC#N)cc2c1OCO2)OC	2105
+c1cc(ccc1CN2C(=O)N(N=C(OC)C2=O)c3c(CC#N)cccc3)Cl	2105
+c1ccccc1Sc2ccc(cc2C)CC#N	2105
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCc3cc(CC#N)ccc3	2105
+C(C#N)c1cc(c(Cl)cc1F)OC	2106
+C(C#N)c1cc(c(Cl)cc1F)OC	2107
+C(OC)COc1c(OCCOC)cc(cc1)CC#N	2107
+Cc1cccc(C)c1COc2cccc(CC#N)c2C	2107
+Clc1cc(c(Cl)c(CC#N)c1)OC	2107
+FC(F)(F)COc1c(F)ccc(CC#N)c1	2108
+CC(C)c1c(CC(O)=O)cc2OCOc2c1	2109
+O(C)c1cc(cc(OC)c1OC)CC(=O)O	2110
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN(c3ncccn3)C	2111
+c1cc(ccc1CC2SC(NC2=O)=O)OCCN(c3nc4ccccc4s3)C	2111
+CC(C)(C)NC(=O)Oc1ccc(cc1)CCOc2ccc(cc2)CC3SC(NC3=O)=O	2112
+c1cc(ccc1Cl)CCC(=O)C2(CC2)Sc3ccccc3	2113
+C(CO)Cc1c(CC#N)cccc1	2114
+c1cc(ccc1)C(CCc2ccc(cc2)C(=O)O)=O	2115
+c1cc(ccc1C(CCc2cc(OC)c(cc2)O)=O)O	2116
+c1(c(c(c(OC)c(c1C)CC[N+]([O-])=O)C)C)OC	2117
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CC[N+](=O)[O-]	2117
+c1c(c(CC)c(Br)cc1)CC[N+](=O)[O-]	2117
+c1c(c(c(F)cc1)C)CC[N+](=O)[O-]	2117
+c1cc(CC[N+](=O)[O-])cc(C)c1OC	2117
+C1CN(CCC12OCCO2)CCc3c(OC)cc4cccnc4c3	2118
+C1CN(CCC12OCCO2)CCc3c(OC)cc4cccnc4c3	2119
+c1cc(ccc1CCC(NCCc2cc(OC)cc(OC)c2)=O)F	2120
+FC(F)(F)C(=O)NCCc1c(c(ccc1)Br)CC	2121
+FC(F)(F)C(=O)NCCc1c(c(ccc1)Br)CC	2122
+c1(c(c(c(OC)c(CCN)c1C)C)C)OC	2123
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CCN	2123
+c1c(c(CC)c(Br)cc1)CCN	2123
+c1cc(cc(C)c1OC)CCN	2123
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3cc(ccc3C)CCN)n2)=O	2124
+FC(F)(F)COc1cc(ccc1F)CCN	2124
+FC(F)(F)COc1cc(ccc1F)CCN	2125
+c1(c(c(c(OC)c(CCN)c1C)C)C)OC	2126
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CCN	2126
+c1c(OC)cc(cc1CCN)OC	2126
+c1c(c(CC)c(Br)cc1)CCN	2126
+c1cc(cc(C)c1OC)CCN	2126
+c1cc(ccc1CC=O)-c2ccc(cc2)C#N	2127
+COc1cc2c(cc1CC=O)nccc2	2128
+c1(c(c(CC=O)ccc1)OC)OC	2128
+C1CC(CCC1)c2cc(c(cc2)CCCC(=O)O)OC	2129
+FC(F)(F)c1ccc(cc1)-c2sc(CCCc3cc(C)c(OCC(=O)OCC)cc3)c(C)n2	2129
+c1cc(ccc1CCl)-c2nc(COC(c3ccccc3)=O)sc2	2130
+c1c(OC)c(Cl)ccc1CCl	2131
+c1c2c(cc(c1)CCl)N(c3c(nccn3)S2)COC	2132
+c1c(CCl)c2c(ccc(OC)c2)cc1	2133
+c1(cc(cc2c1OCO2)CCl)OC	2134
+COc1cc(cc(OC)c1Cl)-c2cc(CCl)ccn2	2135
+c12cc(ccc1cc(CCl)cc2)C	2135
+COc1cc(cc(OC)c1Cl)-c2cc(CCl)ccn2	2136
+c1cc(ccc1CCl)-c2[nH]c3ncnc(NCc4ccc(nc4)OC)c3c2	2137
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CCl	2138
+c1cc(ccc1C)S(=O)(=O)Oc2c(ccc(CCl)c2)OC	2138
+C(OC)COc1ccc(CCl)cc1OCCOC	2139
+ClCc1c(F)ccc(I)c1C	2139
+Cc1c(COc2ccc(cc2OC)CCl)nc(-c3cc(ccc3)C#N)o1	2140
+Cc1cc(cc(C)c1Nc2nc3cc(cc([N+]([O-])=O)c3s2)CCl)C	2141
+C1CC1C(Oc2cccc(c2)CCl)C	2142
+CC(C)(C)c1cc(c(OCc2ccccc2)cc1)CCl	2143
+CC(C)(C)[Si](C)(C)Oc1c(OC)ccc(c1)CCl	2144
+c1cc(ccc1N(Cc2ccc(cc2)C#CCCCCCCCC)C(=O)C)C=CC(=O)OCC	2145
+FC(F)(F)c1ccc(-c2c(ccc(CC(=O)OC)c2)OC)c(CN(C(=O)C)CC(F)(F)F)c1	2146
+C1CC1C(N(CC)Cc2c(ccc(F)c2)-c3c(OC)ccc(CC(OCC)=O)c3)=O	2147
+c1cc(ccc1)CNC(=O)N(CC)Cc2c(ccc(-c3cnc(OCC)cc3)c2)-c4cc(CC(OCC)=O)ccc4OC	2148
+CC(C)(C)OC(=O)N(Cc1cc([N+]([O-])=O)c(cc1)OC)C	2149
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)C(OCC)OCC	2150
+C[Si](C)(C)c1ccc(cc1)CN(CCc2cc(ccc2)C(F)(F)F)C(=O)c3c4[nH]ccc4cc(Cl)c3F	2151
+CC(C)(C)OC(=O)NCCN(C(=O)c1ccc(cc1)F)Cc2ccc(c(OC)c2)OCc3ccccc3	2152
+c1ccccc1COC(NC2CCN(C3CCC(N(Cc4ccc(cc4)OC)C)CC3NC(C)=O)C2=O)=O	2153
+c1cc(ccc1)OCCC2(CCN(CC2)Cc3cc(c(cc3)OCC=C)Cl)C(OCC)=O	2154
+C1CC(CCN1Cc2cc(OCC)c(c(OCC)c2)F)Nc3nc4c(ccc(OCC#N)c4)o3	2155
+C1CN(CCN1c2cc(ncn2)O)Cc3ccccc3C	2155
+c1c(F)cc(cc1CC2NC(OC2C3N(Cc4ccccc4C3)Cc5ccc(cc5)OC)=O)F	2155
+c1cc(ccc1)C(OCCOc2cccc(CN3CC(Nc4c5ccncc5ccc4)CC3)c2)=O	2155
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	2156
+C1CN(CCN1c2ncccc2)Cc3cc4ccc(C)cc4cc3	2156
+c1cc(ccc1CN2CC(C2)C(=O)O)-c3onc(-c4cc(C#N)c(OC(C)C)cc4)n3	2157
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	2158
+C1CN(CCO1)Cc2cc([N+](=O)[O-])c(cc2)[N+](=O)[O-]	2159
+C1CN(CCO1)Cc2cc(c(Br)cc2)F	2159
+C1CC(CCN1Cc2cc(OCC)c(c(OCC)c2)F)Nc3nc4c(ccc(OCC#N)c4)o3	2160
+C1CCN(C1)Cc2ccc(cc2)NC(=O)c3ccc(Cc4cc(cc5c4oc(C(C)C)c5)Cl)o3	2160
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	2160
+C1CN(CCN1Cc2cc(ccc2OCc3ccccc3)C=O)c4ccccc4	2160
+C1CN(CCN1c2ncccc2)Cc3cc4ccc(C)cc4cc3	2160
+C1COCCN1Cc2cc3c(cc2)n(c(CN(C(=O)c4c(ccc(F)c4)F)CCC)n3)CCC	2160
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cccc(CN(C)C)c4)nc12	2160
+c1cc(ccc1)OCCC2(CCN(CC2)Cc3cc(c(cc3)OCC=C)Cl)C(OCC)=O	2160
+c1cc(ccc1CN2CCC(CC2)c3nnc([nH]3)-c4cnc(cc4)OC)-c5c(cc6c(ccnc6O)n5)-c7ccccc7	2160
+c1cc(ccc1SC)CN2CCN(CC2)CCO	2160
+c12ccc(cc1CCN(C2)Cc3ccc(OCC)cc3C)C(C)NC(C)=O	2161
+C1CN(CCC1c2c3cc(cc(C(=O)N)c3[nH]c2)-c4cc(ccc4)CN(C)CCS(=O)(=O)C)S(=O)(=O)CC	2162
+CN(C)Cc1cc(Cc2c(NCCCCC)nc(N)nc2C)ccc1	2162
+c12ccc(cc1CCN(C2)Cc3ccc(OCC)cc3C)C(C)NC(C)=O	2162
+c1cc(ccc1)CN(C)Cc2ccc([N+](=O)[O-])c(c2)OC	2162
+c1cc(ccc1F)C(c2ccc(cc2)F)C3C(CCN(Cc4c(OC)c(cc(Br)c4)Br)C3)=O	2163
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CN3CCCC3=O)cc1)Br)CC	2164
+C1CCC1N(Cc2ccc(cc2)N3CCN(CC3)C(C)=O)S(=O)(=O)Cc4ccccc4	2165
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)CN2CCOc3ccc(cc23)C=O	2166
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(OC)=O)CN3C(=O)c4ccccc4C3=O)[N+]([O-])=O	2167
+FC(F)(F)c1c(c(CN2C(C(=CN(C2=O)c3ccc(cc3)N4CCOC4=O)C#N)=O)ccc1)C	2168
+FC(F)(F)C1(CC1)C(=O)NCc2cc(F)c(c(c2)[N+](=O)[O-])Cl	2169
+FC(F)(F)c1c(Nc2ccc(cc2)CNC(=O)C3(CCOC3)NC(=O)c4cc(cnc4)N)ccc(OC)c1	2169
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C	2169
+c1cc(ccc1C=2C=CC(N(N=2)Cc3cc(NC(OCC)=O)ccc3)=O)CNC(CNC(C)=O)=O	2169
+c1cc(ccc1C(NCc2c3c(nc(cc3)NCc4oc(C)cc4)ccc2)=O)F	2170
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	2171
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	2172
+c1ccccc1COC(NC2CCN(C3C(CC(CC3)NCc4ccc(cc4)OC)NC(C)=O)C2=O)=O	2173
+c1cc(ccc1)-c2nc3c(cc(OC)c(c3)CNC4C(NCCC4)c5ccccc5)s2	2174
+C1CC1NCc2ccc(cc2OC(CC=C)C)C	2175
+O=S(=O)(Nc1ccc(cc1)CNC2c3ncccc3CCC2)c4ccccn4	2175
+c1cc(CNC)cc([N+]([O-])=O)c1OC	2175
+c1cc(ccc1)-c2nc3c(cc(OC)c(c3)CNC4C(NCCC4)c5ccccc5)s2	2175
+CCCN(CCC)CCCCN1CCc2c(ccc(CNCc3n(ccn3)C)c2)C1	2176
+C1CC1NCc2c(Cl)ccc(c2)CCNC(C)=O	2177
+CCCN(CCC)CCCCN1CCc2c(ccc(CNCc3n(ccn3)C)c2)C1	2177
+FC(F)(F)c1ccc(cc1)CNCc2cc(ccc2Br)OC	2178
+c1ccccc1CCNCc2c(OCCCN3CCOCC3)c(OC)ccc2	2179
+c1ccccc1CCNCc2cc(OC)ccc2OCCCN(C)C	2179
+FC(F)(F)C(CC)(O)c1nnc(o1)NCc2ccn3c(cc(C(OCC)=O)c3-c4ccc(cc4)F)c2	2180
+c1cc(ccc1)Oc2ncccc2NCc3c(O)cccc3	2181
+c1(cc(C)c(OC)c(c1)CNc2c(c(ccc2F)O)F)-c3cc(F)ccc3	2182
+c1c2c(cc(c1)CNc3c4ccccc4nc(c3)C)N(c5c(nccn5)S2)COC	2183
+CC1(C)C(C)(C)OB(O1)c2c(CNc3ccccc3)ccc4ccccc24	2184
+CC1(C)OB(OC1(C)C)c2c(CNc3ccccc3C)cccc2C	2184
+c1cc(c(CNc2cc(c(Cl)cc2)NC3=C(C(=O)CCC3)C)cc1)C	2185
+ClC(Cl)=C(Cl)c1cc(CN=[N+]=[N-])cc(C)c1	2186
+[N-]=[N+]=NCc1ccc(c(c1)F)C#N	2187
+c1cc(ccc1Oc2cc(ccc2)CN)OC	2188
+CC(C)(C)OC(N1CCC(CC1)Nc2ccccc2CN)=O	2189
+C(c1cc(C#N)cc(-c2onc(n2)-c3ncccc3)c1)N	2190
+c1ccccc1COc2cc(COC3OCCCC3)ccc2I	2191
+c1(Cl)cncc(Cl)c1COC2OCCCC2	2192
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(Br)cc(c3OC)C)=O	2193
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(Br)cc(c3OC)C)=O	2194
+C[Si](C)(C)CCOCOc1c2ccccc2cc(c1)COC3C(c4ccc(cc4)F)CCN(C3)Cc5ccccc5	2195
+c1c(C)c(c(cc1COC)C)Oc2nc(cc(NC(CC)CC)c2C)C	2196
+Cc1cccc(C)c1-c2c(C)c(COS(=O)(=O)C)ccc2	2197
+CC(C)(C)OC(COc1ccc(cc1COS(=O)(=O)C)Cl)=O	2198
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1OCCCCCCC)Br	2199
+C(C)c1cc(cc(CC)c1-c2cc(COc3cc4OCC(CC(OC)=O)c4cc3)ccc2)OCCCS(=O)(=O)C	2200
+c1cc(ccc1OCC)COc2cc(C=O)ccc2	2200
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4nc(-c5cc(C#N)ccc5)oc4C)cc3)OC)n2	2201
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4nc(-c5cc(C#N)ccc5)oc4C)cc3)OC)n2	2202
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4nc(-c5cc(C#N)ccc5)oc4C)cc3)OC)n2	2203
+O(Cc1c(Cl)ccc([N+]([O-])=O)c1)c2cccnc2	2204
+CC(C)(C)OC(N1CCCC(c2cc(-c3c(cccc3O)OCc4ccc(cc4)C)nc(N)n2)C1)=O	2205
+C1CC(CCC1)Cn2c3cc(c(F)cc3nc2-c4c(OCc5ccc(cc5)OCC(OC)=O)cc(Cl)cc4)F	2206
+c1cc(ccc1-n2ccc3ccccc23)OCc4ccc(cc4)C#N	2206
+C1CC(CCC1)c2ccc(cc2C#N)COc3ccc4c(c5CCC(c5[nH]4)CC(OCC)=O)c3	2207
+c1cc(ccc1COc2cc(I)cc(Br)c2)OC	2207
+CC(C)(C(=O)OCC)c1ccc(cc1)OCc2ccccc2C(OCC)=O	2208
+C1CC(CCC1)c2ccc(cc2C#N)COc3ccc4c(c5CCC(c5[nH]4)CC(OCC)=O)c3	2209
+c1ccc(OCc2nc3c(cccc3)cc2)cc1COc4cc(ccc4)C#N	2209
+c1(c(cc(C#N)c(c1)F)F)COc2cc(c(Cl)cc2)Cl	2210
+c1(c(cc(C#N)c(c1)F)F)COc2cc(c(Cl)cc2)Cl	2211
+CC(C)(C)OC(NC(C(=O)N(c1ccc(cc1)OC)C)Cc2cccc(CO)c2)=O	2212
+C1CC(CCC1)c2ccc(cc2C#N)CO	2213
+CC(C)(C)CN1C(N(C)c2nc(-c3c(C)ccc(CO)c3)ccc12)=O	2213
+C1CC1C(Oc2cc(ccc2)CO)C	2214
+CC(C)(C)OC(=O)N(C)Cc1cn(S(=O)(=O)c2cnccc2)c3c1ccc(c3)CO	2214
+Cc1cc(cc(C)c1Nc2nc3cc(cc([N+](=O)[O-])c3s2)CO)C	2214
+FC(F)(F)c1cc(CO)cc(-n2nnnc2C)c1	2214
+c12c(cc(cc1sc(Br)n2)CO)F	2214
+c1c(cc2c(OC(C)C(=O)N2)c1)CO	2214
+c1cc(ccc1F)CCc2ccc(cc2C(OC)=O)CO	2214
+c1c(OC)c(c(cc1-c2nccc(CO)c2)OC)Cl	2215
+C(O)c1c(F)ccc(I)c1C	2216
+CC(C)c1cccc(C(C)C)c1CO	2216
+Cc1cc(cc(C)c1OC)CO	2216
+Nc1cc(c(CO)cc1Cl)OC	2216
+c1c(OC)c(Cl)ccc1CO	2216
+FC(F)(F)c1cc(cc(c1)COS(=O)(=O)C)-n2c(C)nnn2	2217
+FC(F)(F)c1c(C)nc(cc1)Oc2cccc(CP(OCC)(OCC)=O)c2	2218
+C1CN(CCN1c2ccc(CSc3nc(C)cc(O)n3)c(Cl)c2)CC	2219
+C1CN(CCN1c2ccc(CSc3nc(C)cc(O)n3)c(Cl)c2)CC	2220
+C1CC(CCN1C)c2nc(nc(c2C#N)O)SCc3cc(C)ccc3C	2221
+c1cc(ccc1Cc2c(C)cc(cc2)OC)C	2222
+c1cc(ccc1)CN2c3cc(ccc3OCC2)Cc4c(C(C)C)ccc(Br)c4	2223
+c1ccccc1CN2CCCc3c2cc(Cc4c(C(C)C)ccc(Br)c4)cc3	2223
+c1cc(ccc1)Cc2cc(OC)c(c(c2)Br)OCCOC	2224
+CC(C)(C)OC(Nc1cc(C)c(c(C)c1)Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)=O	2225
+c1cc(ccc1Cc2ccccc2OCc3ccccc3)SC	2225
+c1(ccc(Br)c(Cc2cc3c(OCCO3)cc2)c1)I	2226
+c1(ccc(Br)c(Cc2cc3c(OCCO3)cc2)c1)I	2227
+O(c1c(Cc2cc3c(s2)cccc3)cc(Br)c4c1cccc4)C	2228
+FC(F)(F)Oc1ccc(cc1)Cc2cc(ccc2Cl)Br	2229
+c1(cc(cc(OC)c1OC)Cc2ccc(cc2)OC)OC	2229
+C1COCCN1c2cc3c(nc(C)n3Cc4cccc(C)c4F)c(C(=O)OC)c2	2230
+FC(F)(F)c1c(c(Cn2c(nc3c2cc(N4CCOCC4)cc3C(OC)=O)C(F)F)ccc1)C	2231
+FC(F)(F)c1c(C)c(Cn2c3c(c(cc([N+](=O)[O-])c3)Br)nc2CF)ccc1	2232
+CC(C)(C)OC(=O)c1ccc(Cn2cc(C=O)c3c2cc(cc3)CC(NCC4CCCC4)=O)c(OC)c1	2233
+c1cc(ccc1)S(=O)(=O)C(=Cc2cc(-c3ncn(C)c3-c4ccc(cc4OCC5CC5)F)ncc2)C#N	2234
+c1cc(ccc1)S(=O)(=O)C(=Cc2cc(-c3ncn(C)c3-c4ccc(cc4OCC5CC5)F)ncc2)C#N	2235
+FC(F)(F)c1ccc(C=CC(=O)OC)c(OCC)c1	2236
+C1CN(CCN1c2cccc(Cl)c2)CCC=Cc3ccc4c(c3)CCC(N4)=O	2237
+c1cc(ccc1O)C=NNc2nnc(Cl)c(C3CCC3)c2	2238
+c1cc(ccc1O)C=NNc2nc3cc(-c4ccccc4)nn3c(N5CCOCC5)c2	2239
+c1(C)cc(ccc1[N+]([O-])=O)C=NO	2240
+CC(C)(C)OC(=O)N(C)Cc1cc(F)c(C=NO)cc1	2241
+CC1(C)c2cc(c(F)cc2B(O)O1)C=NO	2242
+FC(F)(F)C1(CC(C)(C)c2c(C=O)cccc2)OC1	2243
+C1CC1COc2c(-c3c(-c4nccc(C=O)c4)ncn3C)ccc(c2)F	2244
+Clc1cc(N)c(cc1)C=O	2244
+O=Cc1c(N)cccc1OC	2244
+c12c(F)cc(C=O)cc1sc(Br)n2	2244
+c12c(F)cc(C=O)cc1sc(Br)n2	2245
+CC(C)n1c2cc(C=O)ccc2nn1	2246
+FC(F)(F)c1ccc(C=O)c(c1)OCC	2246
+CCCN(CCC)CCCCN1CCc2cc(C=O)ccc2C1	2247
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2cc(C=O)c(Cl)cc2	2247
+O=Cc1c2c(cc(CCOC)c1)cccc2	2247
+O=S(=O)(N(c1cccc(c1)C=O)Cc2cccnc2)CC	2247
+c1(cc(cc(C)c1OC)C=O)C	2247
+c1ccccc1-c2sc3c(cc(C=O)c(OC)c3)n2	2247
+c1(cc(c(C)cc1)Br)C=O	2248
+c1cc(ccc1NS(=O)(=O)C)C=O	2248
+c1(C=O)cc2c(C(=O)OC)nn(-c3cccc(c3)Br)c2cc1	2249
+c1ccccc1C(c2cc(c(N3CC(C)OC(C3)C)c(c2F)F)C=O)=O	2250
+O=Cc1cc(ccc1Cl)CCNC(C)=O	2251
+CC(C)(C)OC(COc1c2c(C(CCC2)NS(=O)(=O)c3ccc(cc3)-c4ccccc4)ccc1)=O	2252
+FC(F)(F)c1cc2N(CCCC(c2cc1C)N=[N+]=[N-])C(=O)OC(C)(C)C	2253
+FC(F)(F)c1c(cc2C(N)CCCN(C(OC(C)(C)C)=O)c2c1)C	2254
+FC(F)(F)c1c(cc2C(N)CCCN(C(OC(C)(C)C)=O)c2c1)C	2255
+C1COCCC1N(c2c(CC=C)c(C(=O)NCc3c(nc(cc3C(CC=C)C)C)OC)ccc2)CC	2256
+c1cc(ccc1CCN(C)C)NC=C2C(Nc3c2ccc(C(=O)c4cc(NC(=O)c5cc(nn5C)C)ccc4)c3)=O	2257
+c1c2c(ccc1OC)C(C(=O)N2)=Cc3c(CCCO)c4c([nH]3)CCCCC4	2258
+C1COCCC1N(c2c(CC=C)c(C(=O)NCc3c(nc(cc3C(CC=C)C)C)OC)ccc2)CC	2259
+O(C(=O)CCCc1ccccc1N(C(c2cc(c(cc2)Cl)Br)=O)C)C	2260
+O(C(=O)CCCc1ccccc1N(C(c2cc(c(cc2)Cl)Br)=O)C)C	2261
+O=S(=O)(c1ccccc1)N(c2cc3c(c(c(-c4ccc(cc4)F)o3)C(=O)OC)cc2Br)C	2262
+C1CN(CCO1)c2cccc(Oc3cc(c(Cl)nc3)F)c2	2263
+C1COCCN1c2ccc3c(c2)N(C(=O)C)CC3(C)C	2264
+FC(F)(F)c1c(c(Cn2c3c(nc2CF)c(Br)cc(c3)N4CCOCC4)ccc1)C	2264
+C1CN(CCN1)c2cccc3n(ccc23)S(=O)(=O)c4c5ccccc5ccc4	2265
+FC(F)(F)c1c(N)c(Cl)cc(N2CCOCC2)c1	2265
+c1cc(ccc1Oc2cc(-c3ccccc3)ccc2N4CCNCC4)OC	2265
+C1CNCCN1c2c3c([nH]c(C(OC)=O)c3)ccc2	2266
+O=S(=O)(N(CCO)c1c(C2CC2)cc3c(nn(-c4ccc(C)cn4)c3C(NC)=O)c1)C	2267
+c1(c(c(N2C(c3ccc(cc3N(C2=O)C)F)=O)ccc1)C)Br	2268
+C(Oc1c2c(C(=O)N(C2=O)c3ccc(cc3)CC(OCC)=O)c(c4c1cccc4)OCC)C	2269
+CC(C)OC(CN1C(N(C(N(C)C1=O)=O)c2c(cc(c(N3C(c4c(C3=O)c(F)ccc4)=O)c2)F)Cl)=O)=O	2270
+c1(c(c(N2C(c3ccc(cc3N(C2=O)C)F)=O)ccc1)C)Br	2271
+N1c2cc(ccc2C(N(C1=O)c3c(c(Br)ccc3)C)=O)F	2272
+c1c(OC)c(ccc1)N2C(=Nc3cccc(Cl)c3C2=O)CCl	2273
+C1(C(N=O)=C(N(C(=S)N1)c2cc(CC)ccc2)N)=O	2274
+C=1(N(C(=S)NC(C=1N)=O)c2cc(CC)ccc2)N	2275
+S=C1N(c2[nH]cnc2C(=O)N1)c3cc(CC)ccc3	2276
+CC(C)(C)OC(=O)NC(C(NC1C(Nc2c(cccc2C1)N3CCCC3=O)=O)=O)CC(C)C	2277
+c1cc(ccc1-c2ccc(cc2C)N3C(CCC3)=O)C(OC)=O	2277
+CC(C)(C)OC(NCC1CN(c2cc3CC(N(CCC)c3c(c2)F)=O)C(=O)O1)=O	2278
+CC(C)(C)OC(NCC1CN(c2cc3CC(N(CCC)c3c(c2)F)=O)C(=O)O1)=O	2279
+O=S(=O)(c1cc(Cl)c(N2CN(CC2=O)c3ccc(cc3)Cl)cc1)N	2280
+O=S(=O)(c1cc(Cl)c(N2CN(CC2=O)c3ccc(cc3)Cl)cc1)N	2281
+CC(C)(C)OC(C(c1ccc(cc1)N2C(=O)c3cc(Br)ccc3C2)C)=O	2282
+CC(C)(C)OC(C(c1ccc(cc1)N2C(=O)c3cc(Br)ccc3C2)C)=O	2283
+C1CN(CCN1c2ccc(C(Nc3c4c(n[nH]3)ccc(Cc5cc(F)cc(c5)F)c4)=O)c(NC6CCOCC6)c2)C	2284
+CC(C)Nc1ccc(cc1)C(C(=O)Nc2ccc(cc2)-c3cc(C)ncc3)C	2284
+O=S(=O)(CCCCC)NC(=O)c1cc(c(NC(=O)C)cc1)N(C)Cc2ccc(Cl)cc2Cl	2285
+c1c(NC(C)=O)ccc2OCc3n(cc(C(=O)OC)n3)-c12	2285
+CC(=O)Nc1cccc(c1)-c2sc(nc2C(=O)OC)C	2286
+CC(C)N1C(=O)C(CC)(CC)c2cc(NC(C)=O)ccc12	2286
+c1(NC(=O)C)c(Cl)cc(F)c(OCC)c1Br	2286
+c1ccc(NC(=O)C)cc1-c2ccnc(n2)NCCc3ccc(c(OC)c3)OC	2286
+c1cc(ccc1NC(=S)N)F	2287
+c1cc(ccc1-c2nc(C)ns2)NC(=S)N	2288
+NC(Nc1cc(ccc1OC)Br)=S	2289
+C(N)(Nc1c(cccc1)OCCC)=S	2290
+CN(C)CCOc1ccccc1NC(=S)N	2290
+C(N)(Nc1c(cccc1)OCCC)=S	2291
+CN(C)CCOc1ccccc1NC(=S)N	2291
+c1ccccc1C(NC(=S)Nc2ccccc2OCCN(C)C)=O	2292
+c1ccccc1C(NC(Nc2ccccc2OCCC)=S)=O	2292
+CC(C)(C)c1nn(C)c(c1Cl)C(Nc2c(c(nc(c2)-c3ccccc3Cl)OC)[N+](=O)[O-])=O	2293
+FC(F)(F)c1c(-c2cc(c(c(n2)OC)[N+](=O)[O-])NC(=O)c3n(nc(c3Cl)C(C)(C)C)C)cccc1	2293
+C1CN(CCC1n2cc(-c3cnc(c(c3)C(Nc4c(O)cc(OC)cc4)=O)N)cn2)C	2294
+CC(C)(C)OC(=O)N(C1CC(CCC1)c2c[nH]c3ccc(NC(=N)c4sccc4)cc23)CC	2295
+c1cc(NC(CC(Nc2ccccc2OC)=O)=O)cc(c1Oc3ccnc4cc(sc34)-c5ncn(CCC)c5)F	2296
+C1(C)CN(CC(C)N1)CC(=O)Nc2cccc(c2C)F	2297
+C1CCCCN1CC(Nc2ccc(cc2)C(=O)N3CC4(CC3CC(C)(C)C4)C)=O	2297
+Clc1cc(cc(Cl)c1N2C=3C(=C(N2)C(C)C)C(=O)N=C(Cc4ccc(cc4)NC(=O)CN5CCNCC5)N=3)Cl	2297
+CC(C)(C)c1cc(c(c(c1)NC(C(=O)c2c3ccccc3c(cc2)OCCN4CCOCC4)=O)OC)Cl	2298
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4c(cc(cc4)NC(=O)C5CCOC5)C#N	2299
+CC1(C)CC2(CC(C1)N(C(c3ccc(cc3)NC(=O)CCl)=O)C2)C	2300
+CC(C)(C)C(=O)Nc1c(ccc(OC)c1)-c2ccccc2	2301
+c1cc(c(cc1Cn2c3cccc(NC(=O)CCl)c3cc2C(=O)OCC)Cl)Cl	2301
+c1cc(ccc1C(C)C)C2=NC(=O)N(c3ccc(cc23)OCC#C)Cc4cc(NC(CCl)=O)ccc4	2301
+c1cc(ccc1CC(NCCN(C)C)=O)NC(=O)CCc2onc(n2)-c3cc4c(cccc4)cc3	2302
+FC(F)(F)c1cc(C#N)ccc1NC(=O)C(C2CCCCC2)n3c(nc4cc(F)c(F)cc34)-c5ccc(cc5)Cl	2303
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)Nc2cc(Cl)c(OCC(OCC)OCC)cc2	2303
+C(OCCCl)CC(Nc1ccc(cc1C)C(=O)OC)=O	2304
+c1cc(ccc1-c2cc(C)ncc2)NC(C(c3ccc(cc3)[N+]([O-])=O)C)=O	2304
+C1C2CC3CC1CC(C2)(C3)C(Nc4ccc5nc(N)sc5c4)=O	2305
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4ccc5[nH]c(cc5c4)C(CO)C	2305
+C1CCCC1CC(Nc2cc3c(cc2)n(cc3Cc4c(cc(C(=O)O)cc4)OC)C(=O)C)=O	2305
+C1COCCN1CC(=O)Nc2cc(ccc2SC)C(Nc3ccc(-c4ccccc4F)nc3)=O	2305
+CC(C)(C)CC1NC(C(C12c3c(cc(cc3)Cl)NC2=O)c4cc(Cl)cc(c4)F)C(Nc5c(cc(cc5)C#N)OC)=O	2305
+CC(C)(C)OC(NC(C(Nc1ccc(cc1)CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O)=O)CC(C)C)=O	2305
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)Nc2cc(Cl)c(OCC(OCC)OCC)cc2	2305
+O=S(=O)(CC)N1CCN(CC1)c2ccc(cc2)NC(C3CCc4cc(OC)cc(N5CCN(CC5)C)c4O3)=O	2305
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5c(ccc(c5)NC(=O)CN(C)C)C)=O)n2	2305
+c1cc(ccc1C(C)(C)C(Nc2cc(ccc2)OCCOC)=O)S(=O)(=O)C=CC#N	2305
+C1CC(CCC1)C(=O)Nc2cc(ccc2)CCN3CCN(CC3)c4cccc5c4ccc(C)n5	2306
+C1CN(CCN1c2c(OC)cncn2)CCCc3c4cc(NC(CCCCl)=O)ccc4[nH]c3	2306
+c1ccccc1C(CC)C(Nc2ccc(c(C(=O)N)c2)I)=O	2306
+CC(C)(C)OC(N(c1c(NC(COc2ccc(cc2)CC3SC(=O)NC3=O)=O)ccc(SC)c1)C)=O	2307
+CC(C)(C)[Si](C)(C)OCC(C(=O)OC)N1C(c2cccc(c2C=C1)NC(C(C)c3ccc(cc3)Cl)=O)=O	2307
+CC(C)(C)[Si](C)(C)Oc1cc(c(cc1)N2C(=O)c3ccccc3C2=O)NC(C4CCN(CC4)c5ccncc5)=O	2307
+CC(C)(CO)c1n(c2cc(F)c(cc2c1)NC(=O)C3(CC3)c4cc5OC(F)(F)Oc5cc4)CC6OC(C)(C)OC6	2307
+c1cc(ccc1)C(c2ccccc2)C(Nc3ccc(cc3)S(=O)(=O)N(CC)CC)=O	2307
+c1cc(ccc1Oc2ccccc2)CC(Nc3cc4c(nn(c4)CCN(C)C)cc3)=O	2307
+C1C(Nc2c1ccc(OC)c2)=O	2308
+CC(C)(C)OC(=O)NCc1ccc(cc1)NC(=O)CCc2cccc3c2B(O)OC3	2309
+c1cc(ccc1F)CC2CN(CCC2)C3CCC4CN(CC34)C(=O)Nc5cc(-c6n(nnn6)C)cc(CC)c5	2310
+CC(C)(C)c1ccc(cc1)NC(N2C3CN(CC2CC3)c4ncccc4Cl)=O	2311
+C1CC(CCC1)N(C(=O)Nc2c(cc(cc2)C(=O)OC)C)c3c4ccccc4nn3-c5ccccc5	2312
+C1CCCC1NC(Nc2ccc(cc2)-c3nn(CC)cc3-c4c5cc[nH]c5ncc4)=O	2313
+c1c(OC)cc(cc1NC(=O)NC(CCN2CC(C2)Oc3ccc(cc3)Cl)CO)OC	2314
+CC(C)(C)OC(N1CCC(CC1)NC(=O)Nc2c(c(c(cc2I)C)F)F)=O	2315
+c1cc(ccc1-c2nnnn2C)NC(=O)NCCCN3CC(CCC3)Cc4ccc(cc4)F	2316
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(NCCO)=O)=O	2317
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(NCCO)=O)=O	2318
+c1cc(ccc1-c2nnnn2C)NC(=O)NCCCN3CC(CCC3)Cc4ccc(cc4)F	2318
+CC(C)(C)CCNC(Nc1cc(c(Br)cc1F)-c2c(nc3c(cnc(SC)n3)c2)C)=O	2319
+c1ccccc1COC2CCCCC2NC(Nc3c(c(S(=O)(=O)N)c(Cl)cc3)O)=O	2320
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	2321
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	2322
+CC(C)(C)c1cc(n(n1)-c2ccccc2)NC(=O)Nc3cc(Oc4c5cc(OC)c(cc5ncn4)OCCOC)ccc3	2323
+FC(F)(F)c1nn(-c2ccccc2)c(c1)NC(=O)Nc3cccc(Sc4ncnc5cc(OC)c(cc45)OC)c3	2323
+CN(C)CCCOc1ccc(Cl)cc1NC(Nc2ncc(C#N)nc2)=O	2324
+CC(C)(C)c1c(Oc2c(NC(Nc3ccc(cc3)C)=O)cc(cc2)Br)cccc1	2325
+CN(C)CCNc1ncc2C=C(C(=O)N(c2n1)OC)c3cc(NC(=O)Nc4cc(c(cc4)OC)Cl)ccc3Cl	2325
+c1cc(ccc1NC(Nc2c(cc(Cl)c3ccc(OC(=O)C)cc23)Cl)=O)CCC	2326
+c1cc(ccc1N(CCCl)CCCl)NC(=O)Nc2cccc(c2)NC(CCN(C)C)=O	2327
+c1cc(ccc1)NC(=O)Nc2c(cc(c(C=3C(=O)N(c4c(cnc(NC(CC#N)=O)c4)C=3)CC)c2)F)F	2328
+CC(C)S(=O)(=O)c1ccc(NC(=O)N(C)C)cc1C#N	2329
+CC(C)(C)OC(Nc1c(cc(cc1)OCC)C)=O	2330
+CC(C)(C)OC(Nc1ccc(c(-c2ccc(cc2C)C(=O)CC)c1)C)=O	2331
+CC(C)OC(Nc1c(C(OC)=O)ccc(Br)c1)=O	2332
+O=S(=O)(Nc1ccc(F)c(NC(=O)OC)c1)CC	2332
+c1cc(ccc1-c2nn(CC)cc2-c3c4cc[nH]c4ncc3)NC(=O)OC	2332
+C1CCCC1OC(=O)Nc2cc3c(cn(C)c3cc2)Cc4ccc(C(=O)OC)cc4OC	2333
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(=O)Oc5ccccc5)=O	2333
+CC(C)(C)[Si](C)(C)OCCc1cc(cc(F)c1N(Cc2ccccc2)C)NC(=O)OCc3ccccc3	2333
+CC(C)(C)c1cc(c(OC)c(CO)c1)NC(=O)OCC(Cl)(Cl)Cl	2333
+c1cc(ccc1)OC(=O)Nc2cc(-c3n(nnn3)C)ccc2	2333
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)-c3nnnn3C	2333
+ClC(Cl)(Cl)COC(=O)Nc1ccc(cc1)C(N(C)C)=O	2334
+n1c(c2occc2nc1Cl)Nc3cc([nH]n3)C(Nc4cccc(OC)c4)=O	2335
+c1(cc(Cl)cc(c1NC(c2n(-c3c(Cl)cccn3)nc(Br)c2)=O)Cl)NC(=O)OC	2336
+CN(C)CC1Cc2ccc(cc2CC1)NC(c3[nH]cc(-c4ccc(cc4)Cl)c3)=O	2337
+c1cc(ccc1S(=O)(=O)N2CCC(C)(C)CC2)NC(c3ccc([N+](=O)[O-])o3)=O	2338
+c1cc(ccc1)C(=O)c2ccc(C(=O)Nc3cccc(c3)C=CC(OCC)=O)o2	2339
+c1cc(ccc1)C(=O)c2ccc(C(=O)Nc3cccc(c3)C=CC(OCC)=O)o2	2340
+Cc1cc(cc(C)c1NC(=O)c2sccc2NS(=O)(=O)c3ccccc3)C	2341
+CC(C)C(N1CCN(CC1)c2ccc(NC(c3ncccc3)=O)cc2Cl)=O	2342
+C1C2(CC1)C(=N)NC(CS2(=O)=O)(c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F)C	2343
+CC(C)(C)OC(=O)N=C1NC2(c3c(F)ccc(NC(=O)c4ccc(cn4)Cl)c3)C(CCS1)C2	2343
+c1cc(ccc1OC(F)(F)C)NC(=O)c2cc(c(nc2)Cl)Br	2344
+FC(F)(F)c1ccccc1C(Nc2cc(c3c([nH]cn3)c2)C(=O)Nc4c(c(Cl)ccc4)C)=O	2345
+c1(Cl)c(C(Nc2c(cc(C)cc2)O)=O)cc(Cl)s1	2346
+FC(F)(F)c1ccc(cc1)C(=O)Nc2ccc(cc2)Cc3c4c(n(c3C)CC(OCC)=O)cccc4	2347
+FC(F)(F)c1ccccc1C(Nc2cc3c(c(c2)C(OC)=O)nc[nH]3)=O	2347
+c1cc(ccc1NC(c2ccccc2)=O)Cc3cn(C)c4ccc(C(=O)OC)cc34	2347
+FC(F)(F)Oc1cc(ccc1)C(=O)Nc2c(cc(Cl)c(Oc3c(C#N)c4sc(NC(=O)C5CC5)nc4cc3)c2)F	2348
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2c(NC(c3sc(cc3)Cl)=O)cncc2)=O	2349
+CC(C)(C)c1nc(cc(c1)C(=O)Nc2ccc(c(-n3ccn4c3cc(-c5cccnc5)n4)c2)C)Cl	2349
+O(C(=O)CCCc1ccccc1NC(c2ccc(Cl)c(Br)c2)=O)C	2350
+c1cc(ccc1)COc2c(C(Nc3c(C)cccc3)=O)cc(c(OCc4ccccc4)c2)Br	2350
+CC1(C)C(C)(C)OB(O1)c2c(C)c(cc(F)c2)NC(c3c(cc(C4CC4)cc3)F)=O	2351
+C1CCCN1c2c(c(nc(Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)n2)C)CC(OC)=O	2352
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(OCc3ccccc3)ccc2NC(c4c5ccccc5ccc4)=O	2353
+CN(C)c1nc(nc(N(C)C)c1CC(OC)=O)Cc2ccc(cc2)NC(c3ccc(cc3)C(F)(F)F)=O	2353
+c1c(Cl)c(c(cc1)Cl)C(=O)Nc2ccc(cc2)CC(C(OC)=O)NC(c3c(cccc3Cl)C)=S	2353
+c1c(Cl)c(c(cc1)Cl)C(Nc2ccc(cc2)CC(NC(=S)C3(CCCC3)CCCCS(=O)(=O)C)C(=O)OC)=O	2353
+c1cc(ccc1C(Nc2ccc(cc2)C3Nc4c(CC3(C)C)cc(C(=O)OC)cc4)=O)F	2353
+c1ccccc1C(=O)Nc2ccc(cc2)CN3CC=C(CCC(OC)=O)C3=O	2353
+C1CN(CCN1c2cccc3nc(C)ccc23)CC(C)c4cc(NC(=O)c5c(F)cccc5)ccc4	2354
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc3c(nc(s3)-c4ccccc4NC(c5cccc(-c6[nH]nnn6)c5)=O)c2	2354
+CC(C)(C)OC(n1c2c(cn1)ccc(c2)NC(=O)c3ccccc3O)=O	2354
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2c(NC(c3sc(cc3)Cl)=O)cncc2)=O	2354
+c1(cccc(NC(CCC)=O)c1)NC(=O)c2cccc(Cl)c2	2354
+c1cc(ccc1OCc2nccc(c2)Cl)C(=O)Nc3cc(ccc3C)-c4ncc[nH]4	2354
+FC(F)(F)c1cc(cc(c1)CNC(C)C)C(=O)Nc2cc(c(C)cc2)Nc3cc(nn3-c4ncnc(NC)c4)C	2355
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5cc([N+]([O-])=O)ccc5C)=O)n2	2356
+CC(C)(C)c1sc2c(n1)cc(c(NC(N3CCCCC3)=S)c2)N4CCN(CC4)C	2357
+CC(C)(C)c1sc2c(n1)cc(c(NC(N3CCCCC3)=S)c2)N4CCN(CC4)C	2358
+CC(C)(C)OC(N1CCc2ccc(c(C)c12)NC(NCCN)=S)=O	2359
+CC(C)(C)OC(N1CCc2ccc(c(C)c12)NC(NCCN)=S)=O	2360
+FC(F)(F)c1c(NC(Nc2ccc(c(S(=O)(=O)N(C)C)c2O)Cl)=S)cccc1	2361
+c1cc(ccc1NC(Nc2ccc(cc2)C#N)=S)NNC=O	2362
+c1ccccc1C(=S)Nc2c(Cl)c(ccc2)C	2363
+FC(F)(F)C(=O)NCC#Cc1cc(NCC2(CCCCC2)O)ccc1	2364
+CC(C)(C)OC(NCC(CNc1cc(c2c(CC(=O)N2CCC)c1)F)O)=O	2365
+O=S(=O)(c1ccc(cc1)NCC2CCCC2)C	2366
+CC(C)(C)OC(=O)NC(C)(C)CNc1c(C)cccc1	2367
+c1ccccc1COc2ccc(cc2)CCCNc3ccc(cc3)C(OCC)=O	2367
+FC(F)(F)c1cc(c(cc1)-c2ncnc(Oc3c4c(ccc3)sc(NC(C)=O)n4)c2)NCC5CCCCC5	2368
+CC(C)CNc1cc(ccc1NC(=O)COc2cc(ccc2)OCC)O	2369
+c1cc(ccc1)S(=O)(=O)NC(=O)c2cc(c(NC(C)=O)cc2)NCc3ccc(cc3)OCc4ccccc4	2370
+c1cc(ccc1C(C)C)C(=O)c2cc(OCC#C)ccc2NCc3cc(ccc3)[N+](=O)[O-]	2370
+c1ccccc1CCNc2c(cc(cc2S(=O)(=O)N)C(O)=O)NCc3ccccc3	2370
+FC(F)(F)c1cc(c(CNc2cc(c(cc2)-c3ccc(cc3C)Cl)Cl)cc1)Br	2371
+FC(F)(F)c1cc(-c2c(cc(cc2)NCc3c(cccc3F)F)F)n(C)n1	2372
+c1cc(ccc1NC=C2C(Nc3c2ccc(C(=O)c4cccc(c4)NC(c5sccc5)=O)c3)=O)C(=O)O	2373
+CC(C)(C)NS(=O)(=O)c1cc(ccc1S(=O)(=O)CC)NC=O	2374
+FC(F)(F)c1ccccc1-c2nc(O)c3cc(ccc3c2)NC(CNCCO)=O	2375
+c1cc(ccc1NCC(=O)Nc2c(Cl)cc(S(=O)(=O)N)cc2)Cl	2376
+O=S(=O)(Nc1ccc(c(CN(C(=O)OCc2ccccc2)CC)c1)-c3c(OC)ccc(c3)CC(OCC)=O)C	2377
+c1cc(ccc1-c2c(c3cc(Br)c(cc3o2)NS(=O)(=O)C)C(OCC)=O)F	2377
+C1CN(CCC12Oc3c(C(=O)C2)cc(NS(=O)(=O)C)cc3)C	2378
+C1CN(CCN1C(C)=O)c2ccc(NS(=O)(=O)C)c(c2)C	2378
+CC(C)(C)C1C(=C(C=2N=S(C)(c3cc(ccc3N=2)NS(=O)(=O)C)=O)C(N1Cc4cc(Cl)c(cc4)F)=O)O	2378
+CC(C)(C)OC(=O)N(Cc1cc(c(-c2ccc(cc2)NS(=O)(=O)C)cc1)C)CCC(C)C	2378
+CC(C)(C)OC(NCc1cccc(NS(=O)(=O)C)c1)=O	2378
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(CCC2)Cc3ccc(cc3)NS(=O)(=O)C	2378
+CC(C)(C)c1ccc(cc1)CN2c3c(N(Cc4ccc(cc4)NS(=O)(=O)C)C2=O)cccc3	2378
+O=S(=O)(C)Nc1ccc2c(c1)C3=NC=C(C(OCC)=O)C(=O)N3C=C2C	2378
+O=S(=O)(Nc1ccc2n(CC(OCC)=O)c(cc2c1)C)C	2378
+c1cc(ccc1Cl)-n2c(c3c(n2)cc(NS(=O)(=O)C)c(C4CC4)c3)C(=O)NC	2378
+CC1(C)C(=C(c2ccc(cc2)F)c3c(O1)cc(cc3)NS(=O)(=O)C)F	2379
+FC(F)(F)S(=O)(=O)Nc1cc(c(C)cc1C)N2C(CC2)=O	2380
+O=S(=O)(c1c(CC2CN3CCC2CC3)cc(F)cc1)Nc4ccc5c(c4C(=O)OC)OCC6CC56	2381
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C3C4C(CN(C(=O)CC)C4)C3	2382
+O=S(=O)(Nc1ccc2c(c(C(=O)C)c[nH]2)c1)c3ccccc3	2382
+O=S(=O)(Nc1n[nH]c2ccc(NS(=O)(=O)c3cc(F)ccc3)cc12)C	2382
+O=S(=O)(c1c(Cl)cccc1)Nc2cccc(c2)OCCc3ccc(cc3)C#N	2382
+O=S(=O)(c1ccccc1)Nc2c(Br)cc3c(C(=O)OC)c(-c4ccc(cc4)F)oc3c2	2382
+C1CCCC1c2n3N=C(NC(=O)c3c(C)n2)c4cc(NS(=O)(=O)c5cc(C#N)ccc5)ccc4OCCC	2383
+FC(F)(F)C(NC1C2N(CCC1)c3c(cc(NS(=O)(=O)c4ccccc4)c(Cl)c3)Oc5ccccc25)=O	2383
+FC(F)(F)Oc1cc(ccc1)S(=O)(=O)Nc2cc(c(cc2)OC)C3CN(CC3)C(=O)CC	2383
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)NS(=O)(=O)c4ccc(cc4)C(C)C	2383
+C1CN(CCO1)c2nc(-c3c(c(ccc3)NS(=O)(=O)c4c(F)ccc(c4)F)F)c(-c5ccnc(n5)Cl)s2	2384
+c1c(Cl)c(c(cc1)Cl)Nc2ccccc2CS(=O)(=O)NCCOCCO	2385
+COc1cc(cc(OC)c1OC)Nc2ncnc(Nc3cccc(NC(=O)C=C)c3)n2	2386
+S(C)(Cc1cccc(c1)Nc2nc(ncn2)Cl)(=O)=NC(OCC)=O	2387
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(c(cc2)C)-c3cc(ccc3)Nc4ncccc4Br	2388
+FC(F)(F)c1ccc(Sc2ccc(cc2)NC(=O)C)c(Nc3c4c(ncc3)nc(C)cc4)c1	2389
+FC(F)(F)c1ccc(Sc2ccc(cc2)NC(=O)C)c(Nc3c4c(ncc3)nc(C)cc4)c1	2390
+c1c(cccc1O)Sc2c(cc(C)cc2)Nc3ccnc4nc(C)ccc34	2390
+c1cc(ccc1)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	2390
+c1cc(ccc1O)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	2390
+c1c(cccc1O)Sc2c(cc(C)cc2)Nc3ccnc4nc(C)ccc34	2391
+c1cc(ccc1)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	2391
+c1cc(ccc1O)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	2391
+FC(F)(F)c1ccc2c(ccnc2c1)Nc3ccc(cc3)S(=O)(=O)N4CCN(CC4)c5cc(CCC)cc(CCC)c5	2392
+c1nc2c(c(Nc3cc(c(Cl)cc3Cl)OC)c1C#N)cc4cc(c(OCCCl)cc4c2)OC	2393
+c1nc2cc3cc(c(OC)cc3cc2c(Nc4cc(c(Cl)cc4Cl)OC)c1C#N)O	2393
+c1cc(ccc1C(C)(C)C#N)Nc2c3c(ccc(Br)c3)ncc2[N+](=O)[O-]	2394
+c1cc(ccc1-c2cncc(n2)Nc3ccc(C(=O)O)cc3OC)O	2395
+c1cc(ccc1Nc2nc(C(N)=O)c(NC(=O)c3ccc(cc3)F)s2)OC	2396
+COc1cc(ccc1Cl)Nc2scc(n2)C(=O)O	2397
+C1CN(CCN1C)c2ccc(cc2)Nc3nc(c(C(c4cc5OCOc5cc4)=O)s3)N	2398
+CC(C)(C)OC(NCCCn1c(Nc2cc(OC)c(c(OC)c2)OC)nc3c1cc(cc3)C(OC)=O)=O	2399
+O=S(=O)(Cc1cc(Nc2nc(c(cn2)F)-c3c(cc(c(F)c3)F)F)cc(c1)F)CCC	2400
+O=S(=O)(c1c(Nc2nc(Nc3c(OC(C)C)cc(c(Br)c3)C)ncc2C)cccc1)C(C)C	2400
+c1cc(ccc1C2c3c(c(N4CCC(CC4)(O)C)nc(Nc5ccc(c(OC)c5)-n6cc(nc6)Cl)n3)CC2)F	2400
+c1cc(ccc1Cl)C2c3nc(nc(c3CC2)N(C)C)Nc4cc(OC)c(cc4)-n5cc(nc5)Cl	2400
+C1CC(CCN1c2cc(OC)c(Nc3nc(c4c(n(C5OCCCC5)cn4)n3)NC6CCCCC6)cc2)N7CCCC(C7)O	2401
+FC(F)(F)c1c(Cl)nc(nc1)Nc2ccc(cc2)C(=O)OCc3ccccc3	2401
+c1cc(ccc1C2c3c(CC2)c(N4CC(F)(F)C4)nc(Nc5ccc(-n6cnc(Cl)n6)c(OC)c5)n3)F	2401
+Cc1cc(cc(C)c1S(=O)(=O)N)Nc2nc(c(Br)cn2)NC(CO)C	2402
+c1cc(ccc1N2CCN(CC2)C)Nc3nc4N(Cc5ccccc5Br)C(=O)C=Cc4cn3	2403
+c1cc(ccc1N2CCN(CC2)C)Nc3ncc4C=C(C(=O)N(Cc5c(F)cccc5C6CC6)c4n3)Br	2403
+CC(C)(C)OC(=O)n1c(cc2ccccc12)-c3cnc(Nc4cc(ccc4)O)o3	2404
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	2405
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	2406
+C1COCCN1c2c(C)cc(Nc3ncnc4c3cc(cc4)I)cc2	2407
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	2408
+n1c(ccnc1Cl)Nc2ccc3n(C)c(nc3c2)N	2409
+C1CC(CCN1C)Oc2cccc3ncnc(c23)Nc4ccc(c(C)c4)O	2410
+Clc1ccc(N=C=S)cc1-c2c(cncc2)F	2411
+N(=C=S)c1c(c(ccc1Cl)OC)Cl	2411
+OB(O)c1cc(cc(C(O)=O)c1)N=C=S	2411
+c1cc(ccc1CC(=O)OC)Oc2cc(N=C=S)ccc2	2411
+CC(C)(C)c1sc2c(n1)cc(N3CCN(CC3)C)c(c2)N=C=S	2412
+CC(C)(C)OC(N1c2c(CC1)ccc(N=C=S)c2C)=O	2413
+C1COCCN1CC2COc3c(cccc3)N2N	2414
+FC(F)(F)c1ccc(O)c(NC(=O)c2ccncc2I)c1	2415
+c1c(OC)cc(cc1NC(c2c(cccc2F)F)=S)OC	2416
+O=S(=O)(N)Nc1cccc(OCC2CN(C(CC(C)C)=O)CCC2)c1C#N	2417
+O=C(OCC)C(Oc1cc(ccc1)Oc2ccccc2[N+]([O-])=O)C	2418
+C1CC(CCO1)Oc2ccc(cc2C=O)I	2419
+CC(C)(C)OC(=O)N1CCC(Oc2ccc(cc2)F)C1	2419
+C1COCCC1Oc2cccc3C(=O)c4c(CCc23)cc(cc4)Cl	2420
+c1cc(ccc1)-c2c(cc(cc2)-c3nc4cc(c(OC(C)=O)cc4c(O)n3)OC)F	2421
+c1ccccc1C(=O)c2c(OC(=O)C)cc3c(CCC3C(OC)=O)c2	2421
+c1c(OC)c(c(cc1C)OC)OC(=O)C(C(C)OC)Br	2422
+C1CC1(Oc2cc([N+](=O)[O-])c(cc2Cl)F)C(=O)OCC	2423
+C1CCCC1CC(C(OC)=O)N2C(C=C(Oc3c(C)ccc(C)c3C)C=N2)=O	2424
+CC(C)(C)OC(NCC=1N(C(=O)c2c(cc(OCC(N)=O)cc2)C=1c3ccccc3F)CC(C)C)=O	2425
+C[Si](C)(C)CCOCn1c(-c2ccc(cc2)OCC(Nc3ccc(cc3)C#N)=O)nc4N=CN(C(=O)c14)CCC	2426
+CC(C)(C)OC(=O)COc1ccccc1CC(c2c3ccccc3n(CCCCC)c2)=O	2427
+CCC(c1cccc(OCC(OCC)=O)c1)=O	2428
+c12c(Cl)cccc1CCCO2	2429
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(OCC)=O)o3	2430
+ClC(Cl)=CCOc1cc(c(OCOC)c(c1)Cl)C	2431
+c1cc(ccc1)C(=O)COc2ccc(cc2C)CC(N)=O	2432
+C(OC(CCc1c2ccc(cc2sc1)OCCc3nc(NC)ccc3)=O)C	2433
+FC(F)(F)c1cc(ncc1)-n2cc(CCCOc3c(OC)cccc3CC(OC)=O)c(C(C)C)n2	2433
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(OCC)=O)o3	2434
+CC(C)(C)OC(N1CC(c2cc(OCC3CC3)ccc2C1)O)=O	2435
+CC(C)(C)[Si](C)(C)OCCOc1c(c(-c2c(F)ccc(n2)C(=O)OC)c(cc1)F)F	2435
+Fc1cccc(F)c1C(Nc2ccn(Cc3ccc(cc3Cl)OCCCCCCCO)n2)=O	2435
+c1ccccc1CCCOc2cc(ccc2OC)C3CNC(=O)C3	2435
+CC(C)(C)OC(=O)N1CCN(CC1)CCc2ccc(cc2)OCCCCl	2436
+C1CC1NC(=O)c2cc(c(cc2)C)N3C=Cc4c(cc(OCCCl)cc4)C3=O	2437
+CC1(C)C(c2c(C1)c(ccc2)OCCCBr)N3CCCCC3	2437
+Cc1cc(cc(C)c1OCCCBr)-c2nc3c(o2)nc(Cc4ccc(cc4)Cl)nc3OCCC	2437
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(OCCCCBr)c3	2437
+c1cc(ccc1Cc2c(OCCCBr)cccc2)C(N(CC)CC)=O	2437
+c1cc(ccc1OCCCCl)-c2ccc(cc2C)C#N	2437
+c1ccccc1C2=NC(C)(C)Cc3c2c4CC(C)(C)Oc4c(OCCO)c3	2437
+CN(C)CCCOc1cc(-c2c(-c3c(C)cccc3)ccc(C(=O)OC)n2)ccc1Cl	2438
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3CCCc4cc(OCCN(C)C)ccc34)C(C)C	2438
+c1cc(ccc1OCCCN2CCCC2)-c3c4ccccc4nc5CCCCc35	2438
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5c4cc(c(OCCOCCCl)c5)OC)C)C	2438
+O=S1(=O)CCCN1c2ccc(cc2)-c3c(c4c(cc(OCCN5CCOCC5)cc4)n3CC)C#N	2439
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)OCCCN3CCOCC3	2439
+c1cc(ccc1OCCCN2CCCC2)-n3c(cc(n3)CC)CC	2439
+c1cc(ccc1OCCCO)C(c2c[nH]c3c2cccc3)=O	2439
+CC(C)(C)C(=O)OCN1C=Nc2cc(c(cc2C1=O)OC)OCCCBr	2440
+FC(F)(F)c1cc(ncc1)-n2cc(CCCOc3c(OC)cccc3CC(OC)=O)c(C(C)C)n2	2440
+n1c(NCCCOc2cc3c(cc2)n(cc3)C(C(OC)=O)C)c(cnc1Cl)F	2440
+C1CN(CCC1CCCOc2cc(C)c(c(C)c2)Br)c3nc(C(C)C)no3	2441
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(Br)c2)CO	2441
+C1CCN(C1)CCOc2cc3cc([N+](=O)[O-])cnc3cc2	2442
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(OCC)=O)o3	2442
+C1CN(CCC1)CCOc2ccccc2CCNS(=O)(=O)c3ccc(cc3)Oc4ccc(cc4)F	2442
+C1(=O)c2ccccc2C(=O)N1CCCOc3cc4c(N(C(=O)C(C)(C)C(=O)N4C)CC)cc3	2443
+O=S(=O)(CCC)c1cc(OCCCCCCc2cccc(OCCCC(OCC)=O)c2CCC(OCC)=O)cc(Br)c1	2443
+c1cc(ccc1COC(NCCCOc2ccc3c(CN(C)C(C(C3)CC(OC)=O)=O)c2)=O)[N+]([O-])=O	2444
+FC(F)(F)c1ccc(cc1)-c2csc(CCCOc3cc(c(OCC(OC)=O)cc3C4CC4)C)n2	2445
+CC(C)(C)OC(=O)N1CCc2c(cc(OCC3CCN(CC3)c4ccncc4)cc2)C1	2446
+CC(C)(C)OC(n1c2c(c(CN(C)CCN(C)C(=O)OC(C)(C)C)n1)c(ccc2)OCCCC3OC(C)(C)OC3)=O	2447
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CCOc3ccc(CCC(OC)=O)c(C)c3	2447
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc(C)c(cc2OC)OC(C)(C)C(=O)OC	2447
+O=S(=O)(CCC)c1cc(OCCCCCCc2cccc(OCCCC(OCC)=O)c2CCC(OCC)=O)cc(Br)c1	2447
+CC1(C)c2cc(c(OCOC)cc2C(C)(C)CC1)C(CC)=O	2448
+c1cc(ccc1OC(C)C)-c2nc(c(o2)C)COc3cc(C)c(cc3)CC(C(OC)=O)OCC	2449
+c1cc(ccc1Cc2noc(c2)-c3ccc(N)nc3N)OCc4nccc(c4)Cl	2450
+c1cc(ccc1Cc2noc(c2)-c3ccc(N)nc3N)OCc4nccc(c4)Cl	2451
+c1cc(ccc1OCc2nn3ccnc3cc2)C4=C(OC(C)(C)C4=O)c5ccc(cc5)OC	2452
+c1(ccc(Cl)cc1-c2c(c3c(nc(nc3cc2)N)N)Cl)OCc4ncccc4	2453
+CC(C)(C)Cc1nc(COc2cc(cc(c2)OC)CCC(=O)OCC)ccc1-c3cc(ccc3F)OC	2454
+c1cc(ccc1OCc2nn3ccnc3cc2)C4=C(OC(C)(C)C4=O)c5ccc(cc5)OC	2454
+c1cc(ccc1Cl)-c2cncc(c2)COc3ccc(c(c3)C)CCCCn4ccnn4	2455
+c1cc(ccc1Cl)-c2cncc(c2)COc3ccc(c(c3)C)CCCCn4ccnn4	2456
+c1ccnc(N2CCC(F)C2)c1COc3c(c(ccc3)O)C=O	2457
+c1ccnc(N2CCC(F)C2)c1COc3c(c(ccc3)O)C=O	2458
+n1c(cc(COc2c(OC)cc3c(c2)ncnc3Nc4c(cc(Cl)cc4)F)cc1)Br	2459
+Cc1cc(C(c2cc(OCc3cccc(c3)OC)ccc2)=C)ccc1OC	2460
+c1(c(F)c(C(O)=O)c(cc1)Cl)OCc2c(F)cccc2	2461
+c1(ccccc1Cl)-c2n3c4ccc(cc4nc(C)c3c(C)n2)OCc5cccc([N+]([O-])=O)c5	2461
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(OCc5cc(I)ccc5)cc4C	2461
+c1(F)cccc(F)c1NC(c2oc(cc2)Cc3cc(ccc3OCc4c(F)cccc4)Cl)=O	2462
+n1c(cc(COc2c(OC)cc3c(c2)ncnc3Nc4c(cc(Cl)cc4)F)cc1)Br	2463
+CC(C)c1[nH]nc(c1Cc2ccccc2OCc3cccc(Cl)c3)OC4OC(C(C(C4O)O)O)CO	2464
+C1NCC2C(C)c3cc(Cl)c(cc3C12)OCc4cccc(F)c4	2465
+c1cc(ccc1COc2ccc3c(c2)c4CCC(c4[nH]3)CC(OCC)=O)-c5csnn5	2465
+c1ccccc1COc2ccc3c(CCC45C(CN(C(=O)C)C4)CCC35)c2	2466
+CC(C)(C)OC(CC1c2n(c3ccc(OCc4cc(C(F)(F)F)c(CC5CCCCC5)cc4)cc3c2)CC1)=O	2467
+CC(C)(C)OC(CC1c2n(c3ccc(OCc4cc(C(F)(F)F)c(CC5CCCCC5)cc4)cc3c2)CC1)=O	2468
+O(C)c1c(ccc(C=O)c1[N+](=O)[O-])OC	2469
+c1ccccc1COc2cc3c(cc2)ccc(C#N)c3	2470
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1S(=O)(=O)N2CCOCC2)F	2471
+FC(F)(F)S(=O)(=O)Oc1ccc2C=C(c3cc(Cl)ccc3)N(CC(=O)NC(C)C)C(c2c1)=O	2471
+C1CCC(C1)c2cc(C(=O)c3c(sc(C)c3C)Cc4ccc(cc4)Br)ccc2OS(=O)(=O)c5cc(O)c(C(O)=O)cc5	2472
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2ccc(c(c2)O)C(O)=O)C(c3c(Cc4ccc(cc4)Br)oc(c3C)C)=O	2473
+CC(C)(C)[Si](C)(C)Oc1c(cc(Oc2c(cc(cc2Cl)[N+](=O)[O-])Cl)cc1)C(C)C	2474
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)Sc2cc3C=C(C)C(C)(C)Oc3cc2	2474
+Cc1cc(cc(C)c1Oc2ccc(OC)c(Oc3ccccc3)c2)[N+]([O-])=O	2475
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)C(CCC)C(OCC)=O)Oc3ccc(cc3)F	2475
+FC(F)(F)c1ccc(Oc2cc(ccc2)C(C(=O)O)C)c(c1)C=O	2476
+Clc1cccc(c1)Oc2cc(OC)ccc2C3CN(C(=O)C3)c4cccc(C(=O)N)c4	2477
+Clc1cc(cc(Oc2ccc([N+]([O-])=O)cc2C=O)c1)CC(OC)=O	2478
+c1(cc(Oc2cc3c(cc2)C(N(CO3)C)=O)cc(c1)OC4CCOC4)C(=O)Nc5ncc(C)nc5	2478
+c1cc(ccc1Oc2ccccc2[N+](=O)[O-])-c3cn(c4ncnc(N)c34)C(C)C	2479
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(cc(OC4CCOC4)c3)C(=O)OC	2480
+C1N(CC1)C(=O)c2cnc(cc2)Oc3cc(C(Nc4nn(C)cc4)=O)cc(OC(C)COC)c3	2481
+C1N(CC1)C(c2cnc(Oc3cc(cc(OC(C)COC)c3)C(=O)Nc4nn(cc4)CC)c(Cl)c2)=O	2481
+c1(c(C)c(C)ccc1C)Oc2cnnc(O)c2Cl	2482
+Cc1c(c(c(cc1)C)Oc2cnnc(O)c2)C	2483
+c1cc(ccc1)Cn2c3c(nc(N)nc3Oc4c(cc(cc4C)C)C)cc2	2484
+c1cnccc1-c2nc(Oc3c(C)cccc3)c(cn2)C(OCC)=O	2485
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)S(=O)(=O)c3c4cccc(N(C)C)c4ccc3)=O	2486
+C1CCCN1CCOc2ccc(cc2)N(Cc3cccc(OC4OCCCC4)c3)S(=O)(=O)c5c(C#N)cccc5	2487
+O=S(=O)(c1ccc(OC)cc1OC)NC(C)c2c(-c3c(F)cc(Cl)cc3)cccc2	2488
+c1cc(ccc1S(=O)(=O)NCC(CC(=O)Nc2ccccc2)c3ccc(cc3)Cl)C	2489
+FC(F)(F)c1nn(cc1CO)Cc2cc3CCC(NS(=O)(=O)c4c(cccc4)OC)c3cc2	2490
+FC(F)(F)c1ccc(N2CCCCC2)c(NS(=O)(=O)c3ccc(cc3)C)c1	2491
+c1cc(ccc1S(=O)(=O)C)S(=O)(=O)Nc2c(C(c3cnccc3)=O)cc(cc2)Cl	2492
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(c3c(n4CCCc4c3)cc2)C(=O)OC	2493
+FC(F)(F)Oc1cccc(c1)SC2CCOC(c3ccc(cc3)Cl)C2	2494
+c1cc(ccc1-c2nc(N)sc2C)OC	2495
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	2496
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	2497
+c1(ccc(-c2c([nH]nc2N)C)cc1OCCOC)OCCOC	2498
+c1(ccc(-c2c([nH]nc2N)C)cc1OCCOC)OCCOC	2499
+c1(ccc(-c2c([nH]nc2N)C)cc1OCCOC)OCCOC	2500
+c1(ccc(-c2c([nH]nc2N)C)cc1OCCOC)OCCOC	2501
+FC(F)(F)c1cc(-c2ccc(cc2)C)n(-c3ccc(F)c(Cl)c3)n1	2502
+Clc1ccc2oc(-c3cc(ccc3)C(=O)OCC)cc2c1	2503
+c12cc(c(-c3occc3)nc1[nH]c(-c4cc(F)ccc4)c2)-c5ccncn5	2504
+c12cc(c(-c3occc3)nc1[nH]c(-c4cc(F)ccc4)c2)-c5ccncn5	2505
+C1COCCC1n2c(-c3cc(c(cc3NC(=O)C)C)Br)ccn2	2506
+c1(-c2cc(C)ccc2)ccnn1-c3nccc(C#N)c3	2507
+c1(-c2cc(C)ccc2)ccnn1-c3nccc(C#N)c3	2508
+c1cc(ccc1C=2C(C)(C)OC(=C(C#N)C#N)C=2C#N)-n3nnc(-c4ccc(cc4)N(CC)CC)c3	2509
+c1(cc(Cl)c(cc1O)O)-c2c(c[nH]n2)-c3cc(ccc3)OCCCCC#N	2510
+c1c(C)c(c(cc1OC)C)-c2csc(N)n2	2511
+c1c(C)c(c(cc1Oc2ccccc2)C)-c3nc(sc3)N	2511
+c1cc(ccc1F)-c2scc(n2)-c3ccc(cc3)C	2512
+c1cc(ccc1)-c2ccc(cc2F)-c3noc(-c4ccc(cc4)CO)n3	2513
+Clc1ccc(c(Cl)c1)-c2c(CN)c(nc(-c3cc(c4ccn(c4c3)C)OC)n2)N	2514
+FC(F)(F)Oc1c(cccc1)-c2nc(-c3ccc(c(C)c3)-c4c(csc4)C)on2	2515
+c1cc(ccc1-c2nc(on2)-c3ccc(cc3)OCc4ccccc4)Oc5ccncc5	2516
+c1cc(ccc1Oc2ncccc2)-c3nc(on3)-c4ccc(cc4)OCc5ccccc5	2516
+c1cc(ccc1)-c2ccc(cc2F)-c3noc(-c4ccc(cc4)CO)n3	2517
+COCCN(CCOC)c1c([N+](=O)[O-])cc(-c2onc(-c3ccccc3OC)n2)cc1	2518
+c1cc(ccc1-c2noc(n2)-c3ccc(cc3)CC(C)C)C4CC5(C(N(C)C(=O)N5)=O)CC4	2518
+c1ccccc1Oc2ccc3c(nc(o3)-c4ccc(C=O)cc4F)c2	2519
+c1c2c(nc(-c3cc(Br)c(C)cc3)o2)ccc1	2520
+c1ccccc1Oc2ccc3c(nc(o3)-c4ccc(C=O)cc4F)c2	2521
+c1cc(ccc1-c2cc([nH]n2)C(OCC)=O)OC	2522
+c1cc(ccc1-c2oc(nc2)-c3cccc(-c4oc(nn4)Cc5ccc(cc5)C(=O)OC)c3)OC	2523
+c1cc(ccc1)COc2cc(Oc3ccc(cc3)-c4oc(C)nn4)cc(c2)C(OC)=O	2524
+c1cc(cc(c1)-c2nnc(o2)-c3cc(OC)ccc3)I	2525
+c1cc(ccc1-c2oc(nn2)-c3cccc(OC)c3)I	2525
+c1cc(ccc1C(OC)=O)-c2cc[nH]n2	2526
+c1([nH]ncc1)-c2cc(ccc2)C#N	2527
+c1cc(ccc1-c2noc(COC(=O)C)n2)CN(C3C(NCCCC3)=O)S(=O)(=O)c4ccc(cc4)Cl	2528
+CC(C)(C)OC(=O)N1C(c2ccc(-c3nc(on3)-c4ccc(c(c4)Cl)OC(C)C)cc2CCC1)CCC(=O)OC	2529
+CC(C)Oc1ccc(cc1Cl)-c2nc(-c3c4c(ccc3)n(CCC(=O)OCC)nc4)no2	2530
+c1nc(c2n1-c3c(c(ccc3)CC=C)OC2)C(=O)OCC	2531
+C1CC1CNc2ncc(cc2)-c3nnn(c3)-c4c(C)ccc(C(=O)O)c4	2532
+FC(F)(F)c1c(c2c3c(c1)NC(=O)C(N3C(P(OCC)(OCC)=O)CC2)=O)-n4cccc4	2533
+c1cc(ccc1OCC)-n2cnc3cnc(Nc4cnn(c4)CCn5nccc5)nc23	2534
+N1(c2cc(C(=O)OC)cc(c2)-n3nnnc3)C(C=C(C=C1)C)=O	2535
+n1nncn1-c2cc(-c3ccccc3OC)cc(C(=O)OC)c2	2536
+CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c3ccc(cc3)C)n1	2537
+c1cc(ccc1-n2c(ccn2)N)OC	2538
+c1(nc2c(c(F)ccc2)[nH]1)Cl	2539
+C1CCCCN1CCOc2c3c(nc(O)cc3)c(cc2)Cl	2540
+Clc1ccc2c(nc(Cl)nc2)c1	2541
+Clc1ccc2c(nc(Cl)nc2)c1	2542
+Clc1ccc2c(nc(Cl)nc2)c1	2543
+Clc1ccc2c(c1)nc(nc2)O	2544
+Clc1ccc2c(c1)nc(nc2)O	2545
+O(n1nnc2c1cccc2)c3nc(c(cn3)C(=O)N)NCc4cnn(C)c4	2546
+c1cc(ccc1F)-c2cnc(Cl)o2	2547
+c12cc3c(OCO3)cc1c(Cl)ncn2	2548
+c12cc3c(OCO3)cc1c(Cl)ncn2	2549
+n1c2c(c(O)nc1)cc3OCOc3c2	2550
+O(C)c1ccccc1Nc2cccc3C(=O)N(C4C(=O)NC(CC4)=O)C(c23)=O	2551
+N(C(N)=O)Cc1cccc2c1C(N(C3C(=O)NC(CC3)=O)C2=O)=O	2552
+C1CN(CCN1CCc2cc(ccc2)N3C(=O)c4cc(ccc4C3=O)C)c5c6c(nc(C)cc6)ccc5	2553
+C1CC(c2c(F)c(cc(F)c12)Br)=O	2554
+c1(cc2cccnc2cc1)N3C(c4cc(OC)ccc4C3)=O	2555
+c1c(c(c2NC(C(=O)Nc2c1)=O)C)C	2556
+C1(C(=O)Nc2cc(CC)c(cc2N1)CC)=O	2557
+CN(C)CC1CC1c2cc3[nH]cc(C#N)c3cc2	2558
+CN(C)C=CC(c1c(c2cc(ccc2s1)Cl)CC)=O	2559
+C(CC#N)c1c(scc1)CCCO	2560
+Clc1cccc(c1)-c2noc(C)c2CO	2561
+c1(CO)c(C)onc1-c2ccncn2	2561
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4cc5c(c(ccn5)C(=O)OC)cc4	2562
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4ccc5c(cc(C(=O)OC)cc5)c4	2562
+O=S(=O)(N(c1onc(C)c1Cl)COCCOC)c2c3cccnc3sc2Cc4cc5OCOc5cc4C	2563
+C1CCCN1CCN2C(c3c(C)c(C=C4C(Nc5c4cc(F)c(N)c5)=O)[nH]c3CC2)=O	2564
+C1COCCN1CC(O)CN2CCc3c(C2=O)c(c([nH]3)C=C4c5cc(c(cc5NC4=O)NC(=O)CO)F)C	2564
+c1cc(ccc1)-n2c3c(cccc3)c(C=O)c2N4CCCCCC4	2565
+C1CCCCN1c2ncnc(COC)c2C	2566
+C[Si](C)(C)c1cc(c(cc1)Nc2c(oc3c2c(Cl)ncc3)C(OCC)=O)F	2567
+c1cc(ccc1O)Sc2ccc(OCc3cccc(Br)c3)cc2Nc4ccnc5nc(C)ccc45	2568
+Cc1cccc2c1ncc(C(=O)CCC)c2Nc3ccccc3OC	2569
+c1cc(ccc1)Sc2c(cc(cc2)Nc3c(C#N)cnc4c3cc(cc4)[N+](=O)[O-])Cl	2569
+FC(F)(F)c1nn(-c2ccc(cc2)CCO)c(C)c1-c3ccccc3	2570
+n1(nc(c(-c2c(N)cccc2)c1C)C#N)C	2571
+c1ccccc1-c2nc(c(c(-c3cc4NC(=O)Nc4cc3)n2)C(C(=O)OC)CCC)C	2572
+c1cc(ccc1OC)-c2c(-c3ccccc3OC)oc4ncnc(NCCCCCC(=O)OC)c24	2573
+Clc1cc2c(c(sc2cc1)-c3ccnc(n3)N)CC	2574
+c1ccccc1Cn2c3cccc(C(=O)OC)c3c4c(cccc24)O	2575
+c1ncc2cc(Br)ccn12	2576
+CC(C)(C)OC(NCCCCNc1c2c(cc(cc2)OCc3ccccc3)ncc1[N+]([O-])=O)=O	2577
+c1ccccc1COc2ccc3c(c([N+]([O-])=O)cnc3c2)NCC(C)(C)N	2577
+c12cc[nH]c1cncc2Br	2578
+c1cc(ccc1CCc2c[nH]c(C(=O)OCC)c2)Cl	2579
+CC(C)Oc1ccc(-c2onc(-c3cccc4c3n(cc4CN5CCC(CC5)C(=O)OCC)C)n2)cc1Cl	2580
+CC(C)c1nc(nc(c1)N2CCOCC2)-c3ccc(cc3)Cl	2581
+CC1(C)CC(O)(CCC1)CNc2ncnc3c2CN(CC3)c4ncc(C)cc4	2582
+O=S1(=O)CCC(Nc2c(C)c(C)nc(NCc3ccccn3)n2)C1	2583
+c1n[nH]c2cnc3cc(OC)c(OC)cc3c12	2584
+c1cc(ccc1C#N)-n2c3cc(C)nc(C)c3nc2C	2585
+c1cc(ccc1Br)S(=O)(=O)N2c3ccccc3Cn4c(C2)ccc4C(=O)NCc5cnccc5	2586
+Cc1ccccc1-c2cc(c(C(=O)N3Cc4n(Cc5c3cccc5)c(C(=O)O)cc4)cc2)OC	2587
+CCCCCCCCCCCCc1ccc(C(O)=O)s1	2588
+c1cc(ccc1)N2CCN(CC2)S(=O)(=O)c3sc(cc3)-c4cc(c(O)nc4C)CC	2589
+O=S(=O)(N)c1cc(c(CCOC)s1)C	2590
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(S(=O)(=O)NC3CC3)c(C)n2CC4CCCCC4	2591
+FC(F)(F)C(=O)Nc1cc(ccc1F)N(c2nc3c(nc(N)s3)cc2)C	2592
+FC(F)(F)C(=O)Nc1cc(N(c2nc3sc(NC(C4CC4)=O)nc3cc2)C)ccc1F	2593
+FC(F)(F)C(=O)Nc1cc(N(c2nc3sc(NC(C4CC4)=O)nc3cc2)C)ccc1F	2594
+FC(F)(F)c1nc(ccc1)-c2nc3ccc(N4CC(CCC4)C(N5CCCC5)=O)nc3[nH]2	2595
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(Nc4c(C#N)c(CC)nc(N)n4)C)=O	2596
+C1CCCCC1N2C=C(C(c3cnc(nc23)NCCCn4ccnc4)=O)C(OCC)=O	2597
+c1ccccc1COc2cc3c(c4c(c(cc(Br)n4)C(=O)OC)[nH]3)cc2	2598
+C1CC2(CCN1c3cnn4c(c3Cl)nnc4CC5CC5)C=Cc6ccccc26	2599
+CC(C)(C)OC(N1CC2(CC(C2)n3cc(Br)cn3)C1)=O	2600
+CC(C)(C)OC(N1CC2(CC(C2)n3cc(Br)cn3)C1)=O	2601
+C[Si](C)(C)CCOCn1ccc2c1ncnc2-c3cn(C(CN4CC(C(CC4)OC(=O)c5ccccc5)F)CC#N)nc3	2602
+C[Si](C)(C)CCOCn1c2ncnc(-c3cn(C4(CC(C4)C(OC)=O)CC#N)nc3)c2cc1	2603
+c1c2c(cccc2ccc1F)Cn3c4ccc(cc4c(CC(OCC)=O)c3C(OCC)=O)F	2604
+c1(F)cccc(F)c1C(Nc2cn(Cc3c(OCc4ccccc4)cc(cc3)Cl)nc2)=O	2605
+O=S(=O)(C)c1cc2c(C)cn(NC(c3cnc(nc3C)-c4cccc(F)c4)=O)c2cc1	2606
+CC(C)(C)OC(N(C)Cc1cn(S(=O)(=O)c2cnccc2)c(c1)-c3cc(C#N)ccc3F)=O	2607
+FC(F)(F)c1nc(-n2cnc(I)c2)nc(-c3cc(Cl)c(Cl)cc3)c1	2608
+FC(F)(F)c1ncc(-n2c(c(Cl)nc2C)-c3c(F)cc(cc3F)OC)cc1	2609
+c12ccccc1NC(C2=Cc3[nH]cc(C)c3C)=O	2610
+c1nc(ncc1OCC)N2CCC(CC2)C3CC3CCO	2611
+FC(F)(F)c1c(C(N2CCN(CC2)c3sc(cn3)C(OC)=O)=O)cccc1	2612
+C1COCCC1Nc2ncc3C=C(c4cc(C(=O)NC5CC5)ccc4C)C(=O)N(C)c3n2	2613
+c1cc(ccc1Nc2nc(c(C#N)cn2)N)C(NCCCn3ccnc3)=O	2614
+c1cc(ccc1Nc2c(cnc(n2)Nc3cn(nc3)CCn4nccc4)[N+]([O-])=O)OCC	2615
+c1cc(ccc1-c2c(-c3ccccc3)nc4c(CCCN4CCCCCCC(OCC)=O)n2)C	2616
+c1cc(ccc1-c2nc3N(CCCCCCC(=O)OCC)CCCc3nc2-c4ccc(cc4)C)C	2616
+C1CN(CCO1)c2ncc(cc2Nc3cc(nc4cc(cc(c34)F)F)-c5ccccn5)N6CCOCC6	2617
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c4c(ncc3C#N)cc(c(NC(=O)C)c4)OCC	2618
+c1cc(ccc1)NC(n2c3ccc(cc3cc2)Nc4cc(ncc4C#N)N)=O	2619
+CC(C)(C)OC(=O)N1CC(Nc2c3c(ccs3)ncc2[N+](=O)[O-])CCC1	2620
+C1CC1(c2c(cccc2)C#Cc3nc(ncc3C)Cl)C(=O)N	2621
+C1CC1(C(N)=O)c2ccccc2CCc3nc(ncc3C)Cl	2622
+C1CC1(C(N)=O)c2ccccc2CCc3nc(ncc3C)Cl	2623
+C1CN(CCN1c2c3c(ncn2)cc(OC)c(c3)OC)c4ncc(cn4)O	2624
+C(c1c(nc(nc1C)N)NCCCCC)CCCCC	2625
+C1COCCC1Nc2c(cnc(-c3c4cnccn4nc3)n2)[N+]([O-])=O	2625
+c1ccccc1CCS(=O)(=O)Nc2c(Oc3cccc(c3)OC)c(Cl)nc(n2)N4CCOCC4	2626
+C1CN(CCC1Oc2cc(OC)cc3c2c(Nc4n[nH]c(CC(O)=O)c4)ncn3)C	2627
+c1cc(ccc1)Nc2c(Oc3c(cc(c(C)c3)OC)C(C)C)cnc(N)n2	2628
+c1cc(ccc1C#N)Nc2c3CCC(c3ncn2)OC	2628
+c1c(N)cc(cc1)Oc2c3c(cc(OCCOC)c(OC)c3)ncn2	2629
+C(c1c(nc(nc1N)C)Cn2ccnc2-c3cccc(F)n3)CC	2630
+O1CCOC12Cc3sc4ncnc(Nc5cc(c(F)cc5)Cl)c4c3CC2	2631
+O1CCOC12CCc3c4c(sc3C2)ncnc4Cl	2632
+CC(C)(C)OC(N1CCN(CC1)CCCNc2ncc(c(-c3cc4ccc(cc4s3)C(NC)=O)n2)C)=O	2633
+C1CC1Cc2nc(ncc2-c3nc(NC4COCCC4)ncc3)N	2634
+Fc1cccc(F)c1N2C(=O)C=Cc3c2nc(nc3-c4c(C)ccc(C(=O)Nc5sccn5)c4)NCCCNC(C)C	2634
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4ccnc(n4)NC5CC5)C	2634
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2c3n(c(cn3)-c4nc(NCc5ccccc5)ncc4)ccn2	2635
+CC(C)(CCNc1nc(-c2n3ccnc(C)c3nc2-c4ccc(F)cc4F)ccn1)O	2635
+c1cc(ccc1F)C2CCc3c2nc(Nc4ccc(-n5nc(nc5)C)c(OC)c4)nc3NC	2636
+c1cc(ccc1N2C(C)c3c(N(C2=O)c4cccc(C#N)c4)nc(nc3)Nc5cccc(CCOC(C)=O)c5)OC	2636
+c1c(cc(cc1)Nc2ncc(c(n2)NCc3cc(ccc3)OC)Cl)CCCO	2637
+FC(F)(F)C(c1c(-n2ccnc2)cccc1)Oc3nc(N)nc(Cl)c3	2638
+FC(F)(F)C(c1ccc(cc1)-c2ccncc2)Oc3cc(nc(N)n3)Cl	2639
+FC(F)(F)COc1nc(nc(CCl)c1)N	2640
+Cc1sc(CNc2c(C)c(nc(n2)OCCCc3[nH]c4c(cccc4)n3)Cl)c(n1)C	2641
+O(n1nnc2c1cccc2)c3nc(Nc4cccc5c4ccn5C)c(cn3)C(=O)N	2642
+FC(F)(F)c1ncc(cc1)-c2cc(nc(n2)-n3cnc(c3)I)C	2643
+Clc1cnc2c(c1)n3c(c(NCCO)n2)nnc3	2644
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3nc(Cl)nc(N4CCOCC4)c3nn2	2645
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	2646
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	2647
+c1cc(ccc1Cl)C(c2cc(c(F)cc2)Cl)c3c[nH]c4c(cccc34)CSC	2648
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	2649
+C1CN(CCC1CC2CCN(CC2)C(C)C)c3ncc(nc3)C(=O)OC	2650
+c1c(C)c(C(Nc2ncc(-c3cc(-c4cnn(C)c4)ccc3Cl)nc2)=O)cnc1	2651
+c1(C)cccc(C)c1-c2cnc(c(-c3cc(C)cc(c3)C)n2)-c4cc(C)cc(C)c4	2652
+c1(C)cccc(C)c1-c2cnc(c(-c3cc(C)cc(c3)C)n2)-c4cc(C)cc(C)c4	2653
+c1cc(ccc1C#N)-c2sc(Nc3cccc(c3)NS(=O)(=O)C)nc2	2654
+c1(cc(cc(C)c1)-c2nc(cnc2-c3cc(C)cc(c3)C)Cl)C	2655
+C1CN(CCN1c2ncc([N+]([O-])=O)c(Cl)c2)C	2656
+C1CCN(C1)c2c3cc(c(cc3nc(c2)C)OCc4ccccc4)Br	2657
+FC(F)(F)c1ccc2c(nc(SCC)c(c2N(C)C)C(NCc3cc(ccc3)F)=O)c1	2657
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3c(-c4ccccc4OCC3)nc(N)n2	2658
+c1cc(ccc1-c2nc3C(C)(C)OCc3c(N4CC5CCC(C4)O5)n2)Br	2658
+c1nc2c(c(N)c1)c(OC)ccc2OC	2659
+Cc1nc(nc(N)c1C)CCCC	2660
+c1cc(ccc1C(=NNc2cc(nc(CC)n2)-c3ccccc3OC)C)N(C)C	2661
+CN(C)CCNS(=O)(=O)c1cc(Nc2cc(nc3c2cccc3)C)ccc1	2662
+CC(C)(C)OC(=O)N(CCn1cc(cn1)-c2cc3nccc(Oc4ccc([N+]([O-])=O)cc4F)c3s2)C	2663
+c1ccccc1CCNC(C(Nc2ccc(Oc3c4c(ncc3)cc(c(OC)c4)OCc5ccccc5)c(c2)F)=O)=O	2664
+n1c(COC(CCCCC)=O)nc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)cc1	2665
+n1c(COC(CCCCC)=O)nc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)cc1	2666
+n1c(nc(Cl)cc1)COC(CCCCC)=O	2667
+c1cc(ccc1OCCCCCCCC)-c2ncc(cn2)C(OCC)=O	2668
+CC(C)(C)OC(=O)Nc1c(C#CC2CCC2)cc(Cl)nc1	2669
+c1ncn(c1)CC(c2ccc(c(c2)Cl)Cl)CCOC3OCCCC3	2670
+c1ncn(c1)CC(c2ccc(c(c2)Cl)Cl)CCOC3OCCCC3	2671
+c1ccc2cc3c(cc2c1)cc(cc3)Cn4c(CCCC)nc(Cl)c4C=O	2672
+C1C(CC1)N2CCc3c(ccc(c3)Oc4c(N5C(=O)CCC5)nccn4)CC2	2673
+O=S(=O)(NC)Cc1ccc(cc1)Oc2nc(nc(c2)CN)C	2674
+FC(F)(F)C(=O)NCC1CCC(CC1)Nc2c3cc(OC)ccc3nc(n2)C=Cc4ncccc4	2675
+C1CC1Nc2c3cc(ccc3ncn2)-c4ccc(cc4)F	2676
+FC(F)Oc1cc(ccc1)Nc2c3cc([N+](=O)[O-])ccc3nc(-c4nccnc4)n2	2677
+C1CC(CCN1C(=O)CN(C)C)Oc2cc3c(ncnc3Nc4ccc(c(Cl)c4)OCc5nccnc5)cc2	2678
+c1cc(ccc1Sc2c(c(ncn2)CC)F)Cl	2679
+CC(C)(C)OC(N1Cc2c(nn(C3CCOCC3)c2CC1)Br)=O	2680
+FC(F)(F)c1n(nc(C(=O)OCC)c1)Cc2c(ccc(Br)c2)OCc3ccccc3	2681
+C1CC(CCN1C)c2nn3c(NCCNc4ncc(cc4)C#N)nc(-c5ccc(cc5Cl)Cl)cc3n2	2682
+CC(c1nnc2n1nc(cc2)C(=O)OC)c3ccc4ncccc4c3	2683
+CC(c1nnc2n1nc(cc2)Cl)c3c(cc4ncccc4c3F)F	2684
+c1(-c2cn3nc(ccc3n2)Cl)cc(ccc1)C#N	2685
+FC(F)(F)c1cc(-c2c(-c3cc4NC(COc4cc3)=O)n(nc2C)C)ccc1	2686
+c1(c(NC(=O)OC(c2ccccc2F)C)c(-c3cc(C)c(cc3)Br)on1)C	2687
+c1cccc(c1C)-c2n3c(c(C)n2)c(nc4ccc(F)cc34)C	2688
+CC1(C)C(C)(C)OB(O1)c2ccc(N)c(OC)c2F	2689
+c1ccccc1-c2ccc3n-4c5c(cc(cc5c3c2)-c6ccccc6)C(C)(C)c7cc(ccc-47)B(O)O	2690
+OB(O)c1cc(c(cc1)S(=O)(=O)C)F	2691
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(N(S(=O)(=O)C)c4cc(Cl)c(Br)cc4)cc3o2)C5CC5	2692
+O=C(c1c(O)c(O)c(Br)cc1)O	2693
+FC(F)(F)c1ccc(cc1)C#Cc2ccc(cc2)OC3OCCCC3	2694
+FC(F)Oc1c(C)cc(cc1)C#Cc2ccc(F)c(c2)OCC	2694
+c1cc(ccc1)COc2c(cc(cc2C)C#Cc3cc(cc(c3C=O)OC)OC)C	2694
+FC(F)(F)c1cc(NC(=O)c2cc(c(cc2)C)C#Cc3n4ncccc4nc3)ccc1CN5CCN(CC5)CCO	2695
+c1cc(ccc1C#Cc2cc3c(C(=O)CCC3(C)C)c(O)c2)CC(=O)OC	2695
+c1ccccc1COc2nnc(C#Cc3cc(Cl)ccc3)cc2OCc4ccccc4	2695
+c1(F)c(cc(cc1)C#Cc2cc(C#N)cnc2)CO	2696
+C[Si](C)(C)C#Cc1ccc(cc1F)N2CC(Cn3nnc(C)c3)OC2=O	2697
+C(OC(CCCc1ccc(O)c(C#N)c1)=O)C	2698
+c1cc(C#N)c(Cl)cc1CC(OC)=O	2699
+c1(c(NC(C)=O)ccc(C#N)c1F)C	2700
+CC(C)(C)[Si](C)(C)OCc1cc(C#N)ncc1	2701
+c1c(F)c(ccc1F)C(C(C)c2cc(C#N)ncc2)(Cn3ncnc3)O	2701
+c1c(F)c(ccc1F)C(C(C)c2cc(C#N)ncc2)(Cn3ncnc3)O	2702
+CN(C)c1oc2c(cc(Oc3cc4c(c(O)c(C(=O)OCCCC)nc4C#N)cc3)cc2)n1	2703
+CC(C)(C)[Si](C)(C)OCc1cc(C#N)ncc1	2704
+c1c2c(ccc(C)c2)[nH]c1C#N	2705
+c1ccccc1COc2ccc(Cl)cc2Cn3nc(cc3C)C#N	2705
+CC(C)Nc1nc(cc(n1)C#N)C	2706
+CC(C)Nc1nc(cc(n1)C#N)C	2707
+CN(C)c1n(Cc2ccccc2F)nc(c1)C#N	2707
+c1cc(ccc1OC)C(=O)C(Br)C	2708
+C1CC(CCN1Cc2ccccc2)c3ccc(cc3)OC	2709
+c1cc(ccc1)COc2c(cccc2-c3ccccc3)C(c4cc(ccc4)-c5c(cccc5)OC)C	2710
+c1cc(ccc1C(N)=NO)CC2C3C(=O)N(Cc4ccccc4)C(=O)C3C(C)(C)N2C	2711
+CC(C)Nc1nc(C)cc(C(N)=O)n1	2712
+CC1(C)CC(CC(C)(C)N1CC(F)(F)F)(c2ccc(c(c2)C=3CCC(C)(C)CC=3)NC(=O)c4nc(c[nH]4)C#N)O	2713
+CC(C)(C)c1cc(cc(c1N(C)C)Cl)C(O)C#C	2714
+c1cc(ccc1C(c2cc(OC)c(c(c2)OC)OC)O)OC	2715
+c1cc(ccc1F)C(O)c2ccc(cc2Cl)Cl	2715
+c1cc(ccc1)COc2c(C(c3cc(-c4c(OC)cccc4)ccc3)=C)cccc2-c5ccccc5	2716
+c1cc(ccc1)CN2CCC(=CC2)c3ccc(cc3)OC	2717
+CC(C)(C)OC(=O)N1CCC(c2ccc(cc2)Oc3ccccc3)=CC1	2718
+C1CC(CCC1c2c(F)c(F)c(C=3CCC(CC=3)c4ccc(c(F)c4F)OCC)cc2)CCCCC	2719
+CC1(C)CCC(c2cc(C(=O)C)ccc2N)=CC1	2720
+C1CCCCC1CC(C(=O)c2c(cc(cc2)OC)OC)Br	2721
+C1CC(CCC1)CCC(c2c(OC)cc(OC)cc2)=O	2722
+c1cc(ccc1Oc2ccc(cc2)C(CC(C(OCC)=O)(C(OCC)=O)NC(=O)C)=O)CCCC	2723
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	2724
+c1cc(ccc1CN2C(c3c(cnc(C(=O)N(C)C)c3CC2)OC)=O)OC	2725
+C1CC(CCC1(C)C)c2cc3c(nc(C)nc3s2)C(=O)N4CCC(CC4)(O)C	2726
+c1cc(ccc1-c2cc(-c3n(c(cc3C)C(=O)N(C)OC)C)ccc2OC)S(=O)(=O)N	2727
+c1cc(ccc1)CN(O)C(=O)c2nccc(N(C)Cc3ccccc3)c2	2728
+CC(C)(C)ON=C1c2c(OC(=C1)c3ncn4c(c3)ccc4)ccc(c2)C(=O)NCCN5CCOCC5	2729
+C1CC1NC(c2nnc(OCc3c(noc3C)-c4cccc(F)c4)cc2)=O	2730
+CC(C)(C)OC(=O)COc1ccc(cc1)CNC(c2ncnc(c2)C(=O)NCc3ccc(c(C)c3)F)=O	2731
+c1cc(ccc1C)C2CCCN2c3nc(cc(Nc4sc(C#N)cn4)n3)C(NC(C)CO)=O	2731
+C1CC(CCN1c2cc(C(N)=O)cc(n2)Cl)NC(=O)c3[nH]c(c(Cl)c3)C	2732
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(c4cc(c(s4)OC)-c5ccnn5C)=O	2733
+CC(C)NC(=O)c1sc(cc1OCc2ccccc2C)-n3cnc4ccccc34	2734
+c1(cccnc1OCC(C)F)Nc2c3c(c(sc3ncn2)C(NCCO)=O)C	2734
+c1ccccc1-c2ccc(cc2)C(=O)Nc3ccsc3C(NCCN4CCCCC4)=O	2734
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(c4cc(c(s4)OC)-c5ccnn5C)=O	2735
+[nH]1c(C(NC2CN(c3cccc(C(=O)OC)c3)C2=O)=O)c(Cl)c(c1C)Cl	2736
+[nH]1c(C(NC2CN(c3cccc(C(=O)OC)c3)C2=O)=O)c(Cl)c(c1C)Cl	2737
+c1cc(ccc1)-c2nc3n(ccc(c3)NC(c4c(cnn4Cc5ccccc5)C(=O)OCC)=O)n2	2738
+c1ccccc1NC(=O)c2cccc(N3Cc4c(CC3)nc(SC)nc4)n2	2739
+c1cc(ccc1NC(=O)c2c(Cl)c(c(C)[nH]2)Cl)C#C	2740
+c1cc(ccc1CO)NC(=O)c2ccc(Cc3cc(cc4c3oc(C(C)C)c4)Cl)o2	2741
+C[Si](C)(C)c1cc2c(cc(C(=O)Nc3cnc(cc3)N4CC(C4)O)n2Cc5cccc(F)c5)cc1	2742
+FC(F)(F)c1cc(ccc1)N2C(=C(C(c3c(cc(cc3)C#N)C(O)=O)N(C)C2=O)C(=O)OCC)C	2743
+CC(C)(C)c1cc2c(cc(C(=O)O)cc2)cc1	2744
+CC(C)(C)OC(=O)N1c2c(cc(C(=O)O)cc2)CC1	2745
+CC(C)(C)ON=C1C=C(c2ncn3c(c2)ccc3)Oc4ccc(C(O)=O)cc14	2746
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)C(c5cc6ccc(C(=O)NC)cc6cc5)=O	2747
+c1cc(ccc1OC)C(=O)c2c(Cl)c(C)ccc2	2748
+c1c(OC)cc(cc1C(c2cc3c(cc[nH]3)cc2)=O)OC	2749
+C(c1cc2c(cc1)n(C)nn2)(=O)c3cc(OCC)c(OC)cc3	2750
+c1cc2c(cc1C(=O)c3c(F)cc(OC)cc3)ccc(OC)c2	2750
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(c(F)c(c(C(=O)c4ccccc4)c3)F)N5CC(C)OC(C5)C	2751
+C[Si](C)(C)CCOCn1c2ccc(C(=O)c3ccccc3C#N)cc2cc1	2752
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)c4cccc(C)c4	2753
+CC(C)(C)c1ccccc1C2CCNCC2	2754
+Fc1cc(cc(F)c1C2CO2)S(=O)(=O)N(c3c(cc(C)cc3)C)CC(C)C	2755
+c1cc(ccc1C(C)N2CCC(c3ccccc3)(CCc4nnc(C)o4)OC2=O)C5=CC(=O)N(C)C=C5	2756
+c1cc(ccc1C(C)N2CCC(c3ccccc3)(CCc4nnc(C)o4)OC2=O)C5=CC(=O)N(C)C=C5	2757
+C1CCC(C1)C(C(OC)=O)c2cc(CC(=C)C)c(O)cc2	2758
+n1cc(cnc1-c2cccc(c2)CC3=NN(C=CC3=O)c4cn(C)nc4)OCC	2759
+c1(cc(ccc1[N+]([O-])=O)CC(OCC)=O)OC	2760
+CC(C)Cc1c(O)cc(cc1)O	2761
+C[Si](C)(C)CCOC(=O)C(c1c(CCC(=O)c2cccc(C=Cc3nc4c(ccc(Cl)c4)cc3)c2)cccc1)CC	2762
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(OCC)=O)n1	2763
+C1CN2CCC1C(C2)C(c3ccccc3)(O)CCc4ccc(cc4)C(OC)=O	2764
+CC(C)(C)CCc1cccc(N)c1C#N	2764
+c1cc(cc(C)c1OC)CCCCO	2764
+CN(C)CCCc1ccc(c(c1Cl)C)Br	2765
+c1c(OC(C)=O)cc(cc1)CCCCO	2765
+CC(C)(C)N1c2ccc(CCCO)cc2C(=O)C(C(NCc3ccc(cc3)Cl)=O)=C1	2766
+CC(C)(C)OC(=O)c1ccc(cc1)CCCCO	2766
+c1(OC)c(OC)c(cc2nc(ccc12)CCl)OC	2767
+o1c(c(c2c1ccc(Br)c2OC)C)CCl	2768
+C(CCCC)CCOc1ccnc(c1C)CCl	2769
+C1COCCN1Cc2c(F)cc(Br)c(c2)F	2770
+CC(C)(C)[Si](C)(C)Oc1cccc(CN2CCCC2)c1F	2771
+C1CCCCN1Cc2[nH]c3cc(Oc4sc5ccccc5n4)ccc3c2	2772
+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4c(cnc(c4)CN5CCN(CC5)C)nc3)C)cccc1	2772
+O=S(=O)(c1ccc(cc1)C(CN(Cc2c(C)c3c(s2)C(=O)C(C(NCc4ccc(cc4)Cl)=O)=CN3C)C)O)N	2773
+c1cc(ccc1Cl)CNC(=O)C=2C(=O)c3sc(CN(C)CC(c4occc4)O)cc3N(CC(=O)N(C)OC)C=2	2773
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5cc(CN)ccc5-c4n3)c1F)F	2774
+C(OC)(c1ccccc1-c2ccc(CN)nc2)=O	2775
+ClC(Cl)=C1C2CCC1c3c2cccc3CNC4CC4	2776
+CC(C)(C)C1CCC(CC1)Oc2ccc3c(c2)ccc(CNC45CCC(CC4)(C(OCC)=O)C(C5)O)c3	2777
+c1(C)cc(cc(C)c1NC(OCC)=O)CNc2cccc(c2)F	2778
+O(COC)c1ccc2ccc(nc2c1C#N)CO	2779
+c1c2c(c([N+](=O)[O-])c(OCOC)c1)nc(CO)cc2	2779
+c1c2nc(cc(Cl)c2ccc1OC)CO	2779
+CC(C)(C)c1ccc(cc1)Cn2c(cc3c2ccc(OC)c3)COC(C)=O	2780
+c1(c(cc(OC)c(COCCCCl)c1)F)F	2781
+c1cccc2nn(nc12)-c3cc(C)cc(c3O)COCCC(C)C	2781
+C(Cc1c(CO)cccc1)CCCCCCC	2782
+c1(OC)c(OC)c(cc2nc(CO)ccc12)OC	2783
+C1COC2(O1)COC(OC2)(CCOc3c(C)c(CS(c4nc5ccccc5[nH]4)=O)ncc3)CC	2784
+C(CCCC)CCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2	2785
+C(CCCC)CCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2	2786
+c1(cc(cc(OC)c1OC)Cc2ccc(cc2)OC)OC	2787
+c1cc(ccc1Cc2c(c3c(OC(C3)C)c(Br)c2)Cl)OCC	2788
+c1cc(ccc1CC)Cc2ccccc2OC	2789
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C=Cc2cc(C)c(c(C)c2)-c3c(cncc3C)C	2790
+c1cnccc1-c2cccc3c2C(C(=O)N3)=Cc4c(C)c(CCC(O)=O)c(C)[nH]4	2791
+CN(C)C1CN(C(c2c([nH]c(C)c2)C=C3c4c(cccc4NC3=O)-c5cccc(Cl)c5)=O)CC1	2792
+c1c2NC(CCc2cc(c1)C=CCCCl)=O	2793
+c1cc(ccc1S(=O)(=O)N2CCOCC2)C=Cc3ccc(c(OCOC)c3)OCOC	2794
+Clc1ccc(C=NO)c(F)c1C(=O)OC	2795
+c1(C)cc(nc(Cl)n1)C=NO	2796
+c1cc(ccc1Cc2c3c4c(cnc(c4COC)C=NO)[nH]c3ccc2)Cl	2796
+c1(C=O)cc2c(occ2CCNC(C)=O)cc1	2797
+c12ccc(C=O)cc1c3ccccc3n2C	2798
+FC(F)(F)c1cc(cc(C=O)n1)CC	2799
+c1(C)cc(nc(Cl)n1)C=O	2800
+c1c(Oc2nc3c(s2)cccc3)ccc4cc(C=O)[nH]c14	2800
+c1cc(ccc1Cc2c3c([nH]c4cnc(c(COC)c34)C=O)ccc2)Cl	2801
+Clc1cc(Br)c2c(cccn2)c1	2802
+C1(C(Nc2c(c(Cl)c(cc2N1)Cl)C#N)=O)=O	2803
+C1CN(CCC1c2ccc(C(C)=O)cc2Cl)C(=O)C	2803
+C(C(c1ccc(c(Cl)c1)OC)=O)CC(=O)O	2804
+C1CN(CCC1c2ccc(C(C)=O)cc2Cl)C(=O)C	2805
+c1cc(ccc1C2CC(=O)N(C2C(OCC)=O)C)I	2806
+c1(cc(I)c(C=O)cc1Br)F	2807
+c1c(cc(c(c1)CC)I)Br	2807
+c1cc(ccc1)-c2c(cc(I)cc2)OC	2807
+c1(cc(I)c(C=O)cc1Br)F	2808
+FC(F)(F)c1c(F)c(Cl)cc(I)c1	2809
+C1CN(CCN1c2ccc(cc2)F)c3c(-c4ccc(cc4)N(C)C)nc(OC)cc3	2810
+C1COCCN1C2CCN(CC2F)c3cccc(-c4n(C)c5ccccc5n4)c3	2811
+c1cc(ccc1[N+]([O-])=O)N2CC3CCC(COc4ccc(cc4)F)CN3CC2	2812
+FC(F)(F)c1cc(C(NCC(=O)NC2CN(CC2)C3CCN(C3)c4ccc(cc4)C(OC)=O)=O)ccc1	2813
+C1CN(CCN1c2ncnc3CCN(CCc23)c4ccc(cc4)C(=O)C)C5CCC5	2814
+FC1(F)CCN(c2cc(c(N3C=C(C(C(c4n(-c5ccccc5)ncc4)=N3)=O)OC)cc2)F)C1	2815
+CC(C)(C)OC(=O)C1C(N(CC)c2c(CC1)cc(c(c2)OC)N3CCNCC3)=O	2816
+CC(C)(C)[Si](C)(C)OCC1CN(CCN1C2COC2)c3c(c(cc(C#N)c3)NC(OC(C)(C)C)=O)Cl	2817
+C1C(CC1)N2CCC3(CCN(CC3)c4nnc(cc4)Cl)CC2	2818
+c1(cc(cc(F)c1Br)S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C)F	2819
+Cc1c(Cl)cc(N)c(N)n1	2820
+CCCCCCCCCCCCc1ccc(O)c(c1)N	2821
+Nc1c2c(ccc1)cnc(c2)COC	2821
+OB(O)c1cc(N)cc(c1)C(O)=O	2821
+c1(cc(C#N)c(C)cc1N)O	2821
+c1ccccc1COc2c(cc(C(=O)C)c(c2)N)OC	2821
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)N	2822
+C1(C)Cc2c3c(c(N)c(c2F)F)C(C(=CN13)C(=O)O)=O	2823
+C1C2(CC1)S(=O)(=O)CC(NC2=N)(c3cc(ccc3F)N)C	2823
+CC(C)C(=O)Nc1c(N)cc(C(OCC)=O)cc1	2823
+c1(ccc(N)cc1-c2nc(O)c3c(n2)c(CCC)ccn3)OCC	2823
+c1c(c(cc(F)c1Br)O)N	2823
+CC(C)N1c2cc(ccc2C(C)(C)C1=O)N	2824
+c1cc(ccc1-n2c(C(C)(C)c3ccc(c(OC)c3)Cl)cnc2SCc4c(cc(N)cc4F)Cl)F	2825
+C1CCC(C1)c2c(OC(=O)OC)cc(c(CCC(=O)OCC)c2)N	2826
+C1CN(CCC12Oc3c(cc(N)cc3)C(=O)C2)C	2826
+FC(F)(F)C(NC1C2c3ccccc3Oc4c(cc(c(N)c4)Cl)N2CCC1)=O	2826
+c1cc2c(CCC(NC(CC)=O)C2)c(N)c1OC	2826
+C1CN(C(=O)CC)CC1c2c(ccc(N)c2)OC	2827
+C1CN(CCN1CC)c2cc(C)c3c(n2)ccc(c3)N	2828
+CCOc1c(F)cc(c(N)c1Br)Cl	2828
+FC(F)(F)c1ccc(C)c(c1)N	2828
+Nc1cc-2c(OCc3n-2cc(C(=O)OC)n3)cc1	2828
+CC1(C)C(N(c2c(N1)cc(N)cc2)C)=O	2829
+CC(C)(C)OC(=O)N1CC(CC1)(N2CCC(CC2)Nc3cc(c(F)cc3[N+](=O)[O-])C)C	2830
+c1(NC(=O)C)c(Cl)cc(F)c(OCC)c1Br	2831
+c1c(NC(C)=O)ccc2OCc3n(cc(C(=O)OC)n3)-c12	2832
+C1CCCC1CC(C(=O)Nc2ccn(CC(C)(C)O)n2)N3N=CC=CC3=O	2833
+C1CCCC1CC(C(=O)Nc2ccn(CC(C)(C)O)n2)N3N=CC=CC3=O	2834
+C1CN(CCC1CCCC(=O)N)C(=O)Nc2nccc(Oc3ccc4n(C(=O)NC)ccc4c3)c2	2835
+C1CN(CCC1CCCC(=O)N)C(=O)Nc2nccc(Oc3ccc4n(C(=O)NC)ccc4c3)c2	2836
+C1CN(CCC1O)C(=O)Nc2nccc(Oc3cc4c(cc3)n(C(NCCC(C)C)=O)cc4)c2	2837
+c1cc(ccc1)COc2cc(cc(c2)OC(C)COC)C(=O)Nc3nn(cc3)CC	2838
+c1cc(ccc1C#N)NCCN(S(=O)(=O)c2ccccn2)CC3CCCCC3	2839
+C1CN(CCC1Nc2c3cc(ccc3c(-c4c(cccc4)OC)nn2)OC)Cc5cc6ccccc6cc5	2840
+C1CN(CCC12Oc3c(C(=O)C2)cc(NS(=O)(=O)C)cc3)C	2841
+FC(F)(F)C(NC1C2N(CCC1)c3c(cc(NS(=O)(=O)c4ccccc4)c(Cl)c3)Oc5ccccc25)=O	2842
+c1cc(ccc1F)-c2cccn3c2nc(n3)Nc4ccc(-n5cnc(C)c5)c(c4)OC	2843
+c1cnccc1C=Cc2cc(ccc2)Nc3cc(ccc3)S(=O)(=O)N	2844
+c1cnccc1NC(c2cc(Nc3cc(C(NCCCN4CCCCC4)=O)ccc3)ccc2)=O	2844
+c1c(I)cc(c(Nc2c(C(=O)OC)ccc3cncn23)c1)F	2845
+FC(F)(F)c1cc(ccc1)Nc2nccc3c([N+]([O-])=O)c(C)ccc23	2846
+c1(cc(C(=O)OC)c(cc1Br)O)F	2847
+S(C)c1ccc(O)cc1Cl	2848
+c1cc(ccc1O)C23CC2CN(C3)C(C)=O	2849
+c1cc(ccc1O)C23CC2CN(C3)C(C)=O	2850
+CC1(C2CN(C(=O)C12)CCCCCC)c3cc(ccc3)O	2851
+O=S(=O)(C)c1cc(C(O)=O)cc(O)c1	2851
+COc1c(C)ccc(c1)O	2852
+CC1(C)CC(=O)c2cc(O)ccc12	2853
+O=S(=O)(C)c1cc(C(O)=O)cc(O)c1	2854
+CC1(C)CC(=O)c2cc(O)ccc12	2855
+c1c(c(c(c(O)c1)F)F)CCCCCCCCC	2856
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(CC(C)C)c3ccc(cc3)C(OC)=O)C	2857
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCOc3ccc(cc3)C	2858
+CC(C)(C)OC(=O)N1C(CCC1)COc2ccc(cc2)Oc3ccccc3	2859
+O=C(OCC)C(C(=O)OCC)CCCOc1cc(ccc1)C#CCCCCCC	2860
+c1cc(ccc1C)S(=O)(=O)NCCc2c(OCCN3CCCCC3)cccc2	2860
+C1CC1CCOc2ccc(cc2)OC3C(=O)NCC3	2861
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CC(OCCCCCC)C(=O)OC	2861
+n1cc(cnc1-c2c(c(F)c(cc2)OCC(CCCCCCCC)F)F)-c3ccc(nc3)OCCCCCCCC	2861
+CC(C)(C)OC(NCc1ccc(cc1)-c2cccc(OCCCCOCc3ccccc3)c2)=O	2862
+c1cc(ccc1OCc2nc3cccnc3cc2)C(=O)Cc4ccncc4	2862
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(C)c(CC(=O)OC)cc3)C)c(C(C)C)n2	2863
+CC(C)(C)CCc1c(OCc2cccc(C(C3CC3)CC(=O)OCC)c2)ccc(-c4cc(ccc4F)OC)c1	2864
+CC(C)(C)OC(N1CCC(CC1)Oc2nnc(c(c2)-c3cc(Br)c(cc3)OC4CCCCC4)CCCC)=O	2865
+FC(F)(F)c1ccc(cc1)-c2nc(c(CCOc3ccc(CCC(OCC)=O)c4ccccc34)cc2)C	2866
+c1cc(ccc1OCCc2ccc(cc2)COC)CC(CC)C(OC)=O	2866
+C1CC(CCCC1)COc2cc(ccc2)C=O	2867
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3c(cc(OC(C)(C)C(OC)=O)c(Cl)c3)Cl)c2	2868
+FC(F)(F)c1[nH]c2c(Br)cccc2c1CCCOc3cc(C)c(c(C)c3)Cl	2869
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(C)c(CC(=O)OC)cc3)C)c(C(C)C)n2	2869
+c1cc(ccc1F)OCc2cc(ncc2)Cl	2870
+FC(F)(F)C(C(c1cc(Oc2ccc(C(OC)=O)c(c2)Cl)ccc1Cl)C)(c3cc4N(C(=O)COc4cc3)C)O	2871
+CC(C)(C)OC(=O)NC1CN(CC1)C(CN(c2ccc(cc2)Oc3ccccc3)C(=O)C=Cc4ccccc4)=O	2872
+c1cc(ccc1[N+]([O-])=O)Oc2ccc(cc2)-c3occn3	2873
+c1cc(ccc1)Oc2cc(C)c(c(c2)C)C(C)=O	2874
+c1c(cc2nsnc2c1)Oc3c(cccn3)C(OCC)=O	2875
+c1(C)cc(cc(C)c1S(=O)(=O)N(CCO)C2CC2)OC	2876
+C1CC1NS(=O)(=O)c2c(OC)ccc(Oc3c(cc(cc3Cl)CC4C(=O)NC(=O)S4)Cl)c2	2877
+C1CC(CCC1)NS(=O)(=O)c2cc(C(O)=O)c3c(c2)OCCO3	2878
+c1ccccc1S(=O)(=O)c2cc(c(CCC)cc2)S(=O)(=O)NCCc3ccccc3	2879
+c1cc(ccc1S(=O)(=O)Nc2c(cc(Cl)cc2)C(=O)c3ccccn3)C4(CCOCC4)C	2880
+O=S(=O)(c1ccc2c(c3cc(ccc3s2)S(=O)(=O)NC)c1)Nc4ccccc4S(=O)(=O)N	2881
+CN(C)Cc1cc(-c2cc3c(cc2F)n(nc3)C4OCCCC4)cnc1	2882
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cc(cnc3)NC(=O)C(C)(C)C	2882
+O=S(=O)(c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1)N	2882
+c1(CO)c(c(cnc1)-c2cc3CCC(N(c3cc2F)C)=O)C	2882
+c12c(N(C(=O)O1)C)cc(cc2)-c3cnccc3C(C)O	2882
+c1(CO)c(c(cnc1)-c2cc3CCC(N(c3cc2F)C)=O)C	2883
+C1CN(CCN1C)c2cc(nc(N)n2)N3Cc4cc(-c5cc6N(C(COc6cc5)=O)C)ccc4CC3C	2884
+c1cc(ccc1CC(OCC)=O)-c2c(C)cc(cc2)-c3onc(C)c3NC(OC(c4c(F)cccc4)C)=O	2884
+c1cc(ccc1OC)-c2cccc(c2)OCC(O)CN3CCc4c(C3)cccc4	2884
+O=S(=O)(c1ccc(-c2cc(ccc2F)Br)c(OC)c1)CC	2885
+C(=C(C(=O)O)OC)c1cc(c(cc1)-c2cc(ccc2)N(C(=O)NCCCCCCC)C)OCCCC	2886
+CN(C)S(=O)(=O)c1c(cc(cc1)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C)C(O)=O	2887
+c1ccccc1COC(N2CCCC2c3ccc(cc3)-c4cc(NC(C5CC5)=O)ccc4)=O	2887
+Clc1cc(c(cc1)-c2cc(c(cc2)CC)[N+]([O-])=O)F	2888
+C(C)N(CC)C(=O)c1c(c2c(c(-c3ccc(cc3)OC)c1)cccc2)OC	2889
+CC(C)(C)c1cc2C(=O)C(Cc2c(-c3ccccc3)c1OCC(C)C)C	2889
+CC(C)(C)c1cc2ccc3ccc(-c4ccc(cc4)Cl)c5ccc(c1)c2c35	2889
+CC1(C)c2cc(-c3cc(Cl)ccc3)ccc2NC1=O	2889
+c1ccccc1-c2ccc(C)c(C#N)c2	2889
+c1cc(ccc1)-c2cc3c(NC(C3)=O)cc2	2890
+c1cc(ccc1C2(CC2)C(=O)OCC)-c3ccc(cc3)-c4c(NC(CCc5c(Cl)cccc5)C)c(no4)C	2891
+c1cc(ccc1F)C=CC(F)(F)C(O)c2c(C)noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC	2891
+c1ccccc1C(C)CNCc2c(noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)C	2891
+c1ccccc1C2C(C2)C(Nc3c(-c4ccc(cc4)-c5ccc(cc5)C6(CC6)C(=O)OCC)onc3C)C	2891
+c1cc(ccc1-c2cc3OCOc3cc2-c4ccc(cc4)F)S(=O)(=O)N	2892
+c1(c(cc(OC)c(c1)C(=O)O)-c2ccccc2OCC)Cl	2893
+C1CCCCN1c2cc(c(cc2)[N+](=O)[O-])-c3nccc(c3)C=O	2894
+CC(C)(CC1(CCN(C(O1)=O)C(C)c2ccc(cc2)-c3nnc(C)cc3)c4ccccc4)C#N	2895
+CC(C)(c1cc2[nH]c3c(c(-c4cccc(c4C)N5C(N(C)c6c(ccc(F)c6)C5=O)=O)c(cc3C(=O)N)Cl)c2cc1)O	2896
+C(OC)CCOc1cc(CCC(OCC)=O)ccc1-c2cnccc2	2897
+C1CC1c2c(cncc2F)-c3cc4CCc5nnc(C)n5-c4c(F)c3	2898
+CCOC(c1c(n(C2COCC2)nc1)-c3ccc(cc3[N+]([O-])=O)-c4c(cc(OCC)nc4C)C)=O	2898
+c1cc(ccc1-c2cc3ccncc3nc2O)N4C(C(C)(C)OC4=O)c5ccccc5	2898
+CC(C)(C)C(NC(=O)c1ccc([n+](c1)[O-])-c2c(c(F)cc(C(NC3CC3)=O)c2)C)C	2899
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(nn2)-c3ccc(cc3OC)O	2900
+FC(F)(F)c1c(c(c(COc2cnc(cc2)-c3ccc(cc3C)CC(=O)OC)cc1)C(OC(C)(C)C)=O)O	2901
+c1cc(ccc1C(CC)(CC)c2cc(C)c(C=CC(CC)(CC)O)cc2)-c3ncc(cc3)CC(OCC)=O	2902
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cncc(c3)NC(Cc4ccccc4)=O	2903
+CC(C)(C(O)=O)c1cncc(-c2ccc3c(CCC(=O)N3C)c2)c1	2904
+CC(C)(C)OC(NCCOc1cncc(-c2cc3CCC(=O)N(C)c3cc2)c1)=O	2904
+CC(C)(CC1(CC(N(C(C)c2ccc(cc2)-c3ccc(O)nc3)CC1)=O)c4ccccc4)O	2904
+FC(F)(F)Oc1cnc(cc1)-c2ccc(C(O)(C(C)(C)C)c3cncnc3)c(C)c2	2905
+O=Cc1ccc(cc1[N+]([O-])=O)-c2ncccc2	2905
+c1cc(ccc1-c2c(cccn2)C(O)CCCc3ccccc3)-c4ccc(cc4)C5(CC5)CC(=O)OCC	2905
+O=S(=O)(N(C)c1c(cc2c(oc(C34C(CCC3)C4)c2C(NC)=O)c1)-c5nc-6c(cc5)OCn7c8cccc(F)c8cc-67)C	2906
+c1cc(ccc1C23CCC(CC2)(OC3)CC(OC)=O)-c4ncc(N)cc4	2907
+O=S(=O)(C)NCc1cc(F)cc(c1)-c2c([N+]([O-])=O)c(ccn2)N	2908
+c1cc(ccc1-c2nc(N)sc2C)OC	2909
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	2910
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2cccc(-c3nc(C4CCOC4)sc3-c5nc(ncc5)Cl)c2F	2911
+c1(cnccc1-c2cc(c(nc2-c3c(cccc3)F)N)[N+]([O-])=O)F	2912
+c1cc(ccc1)-c2noc3c2c(nc(C(=O)OCC)c3O)-c4cn(Cc5ccccc5)nn4	2913
+c1cc(ccc1C(C)(C)O)-c2cnc3NC(=O)CN(CCC4CCOCC4)c3n2	2914
+CC(C)(C)OC(=O)NC1(CC1)c2ccc(cc2)-c3c(-c4ccccc4)nc5-c6ccccc6Nc7ncccc7-n35	2915
+c1cc(ccc1-c2cnn(C)c2N)-c3ccc(cc3)C4(CC4)C(=O)OCC	2916
+C1CC1C(=O)N2C(C)CCc3c2ccc(-c4cnn(c4N)C5CC5)c3OC6CCC6	2917
+C1C(CC1=O)(c2ccc(cc2)OCc3cc4c(-c5ccc(OCCOCC)cc5C)csc4cc3)CC(OCC)=O	2918
+Clc1cc2c(c(sc2cc1)-c3ccnc(n3)N)CC	2919
+CC(C)(C)OC(NC(C)c1cc(no1)-c2[nH]c3c(ccc(c3)C(F)(F)F)n2)=O	2920
+CC1(C)OCC(CO1)c2cc(cnc2)-c3nc4cccc(-c5ccccc5)c4c(NCc6ncccc6)n3	2921
+c1cc(cc(c1)-c2c(C)nc3c(c(Cl)ccc3)n2)F	2922
+CC1CN(CC(C)O1)c2c(cc(c(F)c2F)-c3cnc(N)cn3)C=O	2923
+C1CN(CCC1=O)c2cccc(-c3ccnc(Cl)n3)c2	2924
+c1(C=O)cc(c(C)cc1)-c2ccnc(Cl)n2	2924
+c1c(c(C=O)c(c(c1)-c2ccnc(Cl)n2)C)OC	2924
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)-c4c(F)cncn4)=O	2925
+c1cc(ccc1S(=O)(=O)N)-c2nn(C3CCOCC3)c4ccnc(OC)c24	2926
+CC(C)(C)OC(=O)N1CC=C(c2sc(nn2)-c3ccc(-n4cccn4)cc3OC)CC1	2927
+FC(F)(F)c1cc(ccc1OCCCOC2CCCCO2)B(OC(C)C)O	2928
+COB(O)c1cc(c(F)cc1)OC	2929
+OB(O)c1ccc(CCOC(Nc2cccc(C#N)c2)=O)c(CC)c1	2930
+C(=O)(OC)C(C)c1c(F)cc(Br)c(c1)F	2931
+c1(cc(cc(Cl)c1C)Br)Cl	2931
+c1ccccc1C2c3ccc(OC)cc3CCN2	2932
+c1ccccc1C2c3ccc(OC)cc3CCN2	2933
+c1cc(ccc1)C=2c3ccc(cc3CCN=2)OC	2934
+c1c(c(O)c(Cl)cc1)CC=C	2935
+COc1cc(c(F)cc1)-c2ccc(cc2I)C(=O)OC	2936
+FCC1(CF)Oc2c(cc(I)cc2)C(=C1)C(OCC)=O	2936
+O=S(=O)(c1cc(cc(C(O)=O)c1)N)C	2937
+c1(F)c(Br)cc(C=O)c(N)c1	2937
+c1cc(C(C)C(O)=O)cc(N)c1N	2938
+c1cc(ccc1N)C23CN(CC2C3)C(C)=O	2938
+C1CC(CCN1C(=O)C)c2c(cc(C(=O)C)cc2)N	2939
+CC1(C)CC(c2cc(N)ccc12)=O	2940
+c1(cc(F)ccc1Oc2c3c(nc(cc3)Cl)ccc2OC)F	2941
+C1CNCCN1c2ccc3c(c(ccc3)Br)n2	2942
+CC(C)(C)OC(=O)NC1CCCN(c2ccc(Nc3c(cnc4ccc(nc34)-c5cc(c(c(F)c5)O)Cl)C(C)=O)cn2)C1	2943
+c1(cc2cc(OC)ccc2nc1Cl)[N+]([O-])=O	2944
+c1(cc2cccc(C)c2nc1Cl)[N+]([O-])=O	2944
+c1c2c(ccc(c2Oc3c(cc(F)cc3)F)OC)nc(O)c1	2945
+CC1(C)CC(=O)Nc2cc(ccc12)C(C(=O)OCC)CCCCC	2946
+CC(C)(C)OC(CNC(C=1C(=O)C(C)(C)c2c(ccc(c2F)O)C=1O)=O)=O	2947
+C1(=O)c2c(NC1=O)c(c(Cl)cc2)C	2948
+c1c(C)nc(cc1-c2nc3cc(cc(F)c3c(O)n2)F)C	2949
+c1cc(ccc1)OCc2c3ccc(OC)cc3c(Cl)nn2	2950
+C1CN(CCC1Nc2c3cc(ccc3c(-c4c(cccc4)OC)nn2)OC)Cc5cc6ccccc6cc5	2951
+c1(O)nnc(c2ccc(OC)cc12)-c3cc(F)ccc3	2952
+c1(ccccc1-c2nnc(Cl)c3c2ccc(OC)c3)OC	2953
+Clc1cccc(c1)-c2oc3C=CN(c4cc5c[nH]nc5cc4)C(c3c2)=O	2954
+CC(C)(C)OC(n1c2c(c(OC)ccc2)c(N)n1)=O	2955
+CC(C)(C)Cc1nc2c(ccc(S(=O)(=O)C(C)C)c2)n1CC3CC3	2956
+CC(C)(C)OC(=O)N1CCC(CC1)n2c(nc3c2ccc(C)c3)-c4ccccc4	2957
+CC(C)Cn1c2c(nc1COc3cccc(OCC)c3)ccc(O)c2	2958
+CC1(C)c2c(cc3[nH]c(SCc4ccccn4)nc3c2)C(C)(C)CC1	2959
+C1CC1n2c3c(nc2-c4cccnc4)ccc(c3)C#N	2960
+C1CN(CCC1n2ncc(-c3cc(c(nc3)N)-c4oc5c(ccc(OC)c5)n4)c2)C	2961
+C1CC(CCN1C)Oc2cc(cc3ncnc(Cl)c23)OC	2962
+C1CN(CCC1Oc2cc(OC)cc3c2c(Nc4n[nH]c(CC(O)=O)c4)ncn3)C	2963
+c1(oc2c(c1)cc(C)cc2)C(=O)OCC	2964
+CC(C)(C)OC(=O)N1C(Cc2oc3ccccc3n2)CCCC1	2965
+FC(F)(F)c1cc2nc(oc2cc1)-c3c(I)cncc3	2966
+c1cc(ccc1)Cn2c(cc3nc(Cl)ccc23)-c4ncco4	2967
+Fc1cccc(F)c1-c2nc3c(s2)c(OC)cc(c3)OC	2968
+Fc1cccc(F)c1-c2nc3c(s2)c(OC)cc(c3)OC	2969
+c1c(OC)c2ccsc2c(F)c1	2970
+c1(cc(F)ccc1Oc2c3c(nc(cc3)Cl)ccc2OC)F	2971
+c1cc(ccc1OC)C(=O)c2cc3c(nc(nc3cc2)Cl)-c4cc(ccc4)Cl	2972
+c1cc(ccc1OC)C(=O)c2cc3c(nc(nc3cc2)Cl)-c4cc(ccc4)Cl	2973
+C1CCCC(n2c(OC)nc3c(nc(OC(CC)C)nc23)N)O1	2974
+C1CCCC(n2c(OC)nc3c(nc(OCC(C)CC)nc23)N)O1	2974
+CC1(C)CC(N(c2cc3[nH]c(nc3cc12)-c4[nH]nc5ccccc45)CC)=O	2975
+c1cc(ccc1OC)C(c2cc3c(nc(nc3cc2)O)-c4cccc(Cl)c4)=O	2976
+c1(c(c2[nH]ccc2cc1Br)C(=O)O)F	2977
+c1(cc2n[nH]cc2cc1Br)F	2978
+FC(F)(F)c1ccc(cc1C)C#N	2979
+c1cc(ccc1)-c2c(oc(n2)C)-c3ccc4n(c3)c(nn4)C(C)C	2980
+N#Cc1ncc(C)cc1[N+](=O)[O-]	2981
+FC(F)(c1ccc(C)cn1)CO	2982
+C(CCOCCCc1ccc(cn1)[N+]([O-])=O)CCCBr	2983
+n1cc(c2cc(OC)c(cc2c1F)F)OC	2984
+C1CC1Nc2ncc3CN(c4cc(-c5nccs5)c(Cl)cn4)CCc3n2	2985
+C1CC(CCN1c2c(C#N)cc(C(=O)OCC)c(n2)C)S(=O)(=O)NS(=O)(=O)Cc3ccccc3	2986
+c1cc(-c2c(C)ccc3c2ccnc3NCc4cc(OC)c(cc4)OC)cc5c1nc(NC)nc5	2987
+Cc1nc(c(cc1C(=O)OCC)C#N)NC2CCC(C(=O)O)C2	2988
+c1(cccc(F)c1)COc2nc3c(C(NCC3)=O)cc2	2989
+CN(C)CCNC(=O)Cn1cc(-c2ncc3[nH]c4ncc(OC)cc4c3c2)cn1	2990
+c1c(Cl)nc2c(C(NCC2)=O)c1	2991
+Nc1cc(OCC#C)c(OC)cc1C(=O)OC	2992
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C)cccc2F	2993
+CC(C)(C)OC(N1CC=C(CC1)c2c(C)cccc2F)=O	2994
+c1c(C)c(c(cc1OCC2CN(C)c3ccccc3O2)C)C(=O)Cl	2995
+CC(C)c1cccc(C(C)C)c1C(Cl)=O	2996
+C(NC(C)=O)Cc1cc2c(OCO2)cc1CC#N	2997
+CC(C)c1c(cc2OCOc2c1)CC#N	2997
+c1cc(ccc1)[Si](c2ccccc2)(Oc3cc(OC)c(c(c3)OC)CO)C(C)(C)C	2998
+Nc1c(O)c(Cl)cc(F)c1N2N=NN(CCCF)C2=O	2999
+O=S(=O)(O)c1cc(c(cc1OC)OC)N	2999
+c1(cc(c(CNC(c2cn(nc2OCC)CCOc3c(CC(OC)=O)cccc3OCC)=O)cc1)Cl)Cl	3000
+c1(cc(c(CNC(c2cn(nc2OCC)CCOc3c(CC(OC)=O)cccc3OCC)=O)cc1)Cl)Cl	3001
+c1cc(ccc1S(=O)(=O)N)-c2cc(-c3c(C)c(c(s3)C(OC)=O)C)ccc2OC	3002
+C1CC(CCC1)N2N(C(C)=C(NC(=O)c3c(c(Br)on3)C)C2=O)C	3003
+C1CC(CCC1)N2N(C(C)=C(NC(=O)c3c(c(Br)on3)C)C2=O)C	3004
+FC(F)(CNC(c1ncccc1C)=O)c2c(cc(Cl)cc2)Cl	3005
+CC(C)(C)OC(=O)NC1=NC(c2c(c(F)cc(c2)NC(=O)c3ncc(C#N)cc3C)F)(COC1)C(F)F	3006
+FC(F)(F)c1c2c(c(C3CCN(CC3)C(=O)C)cs2)ccc1	3007
+C1Cc2c(CC1)c(NC(=O)C)cc(F)c2C	3008
+Fc1c(F)c2c(c(NC(=O)C)c1)CCCC2	3008
+O=S(=O)(NC1c2cncc(-c3cc(c4c(CCC(=O)N4C)c3)F)c2CCC1)CC	3009
+C[Si](C)(C)CCOCn1cc(nc1-c2ccc(cc2Cl)-c3c(cc(nc3)OCC4(CCC4)C(OCC)=O)C)C(F)(F)F	3010
+Clc1ccc(c(Cl)c1)-c2cnc(cc2C#N)N	3011
+CC1(C)Cc2c(O1)cc(cc2-c3cnc(N)c(c3C)C#N)Cl	3012
+FC(F)(F)c1c2c(n(c(n2)Oc3c(C)cc(Cl)cc3Cl)C)c(C(CC)CC)cc1	3013
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3sc(NC(=O)C4CC4)nc3cc2)c(Cl)cc1F)=O	3014
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3sc(NC(=O)C4CC4)nc3cc2)c(Cl)cc1F)=O	3015
+CN(C)c1ncc(c(C)c1)Nc2nc3c(c(C(CC)CC)ccc3Cl)n2CCCC(=O)OCC	3016
+C1CN(CCN1C)c2c3nc(-c4[nH]nc5c4ccc(Br)c5)[nH]c3ccc2	3017
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3c(nc(N)s3)cc2)c(Cl)cc1F)=O	3018
+C1COC2(O1)CCN(CC2)C(=O)Nc3nc4c(s3)c(C5CCOCC5)ccc4OC	3019
+c1c(C(=O)OC)sc2c(F)ccc(OC)c12	3020
+C1CN(CCO1)c2ccc(c3nc(N)sc23)OC	3021
+c12C(CCc1c(cc(Br)c2F)F)O	3022
+C1CN(CCC1N2CCCCC2)c3c(C(C)=O)cc(c4cccnc34)Cl	3023
+c1cc(ccc1Oc2c3c(ccc2)c(c(nc3C#N)C(=O)OC)O)OC	3024
+C1CNCCN1c2c(cccn2)OC	3025
+O=S(=O)(Nc1cc(cnc1Cl)Nc2ncccc2-c3nc(C)nc(N)n3)N4CCOCC4	3026
+c12CCCCc1nc(c(c2)[N+]([O-])=O)N	3027
+S(c1cc(Oc2c(nccc2)CC)c(N)nc1)c3ccccn3	3028
+O(c1c(OCC)cccn1)C	3029
+c1ccccc1-c2nnc(Cc3ccc(cc3)Oc4ncccc4-c5ccnc(n5)NC)c6ccccc26	3030
+c1cc(ccc1-c2c(O)nccc2)C(OC)=O	3031
+c1cc(ccc1-c2c(O)nccc2)C(OC)=O	3032
+CC(C)(C)OC(=O)N1CCc2c(cc(cc2)-c3c(cccn3)OCc4cc(C)ccn4)CC1	3033
+c1([N+]([O-])=O)ccc(nc1)Oc2c3c(OCC(C3)C)ccc2	3034
+C1CCCCN1C2Cc3cc(Oc4ncc(cc4)C(=O)NC)ccc3C2	3035
+c1ccccc1COc2c3n(ccc2)cnc3	3036
+C1CN(CCN1C2COC2)c3c(F)cc(Nc4nc(Cl)ncn4)cc3	3037
+c1(-n2cc(nc2)CO)c(cc(cc1)Nc3nc(nc(Cl)n3)OC)OC	3038
+CC(C)c1ccc(nn1)N	3039
+C1C(CN1c2nc(C)nc(-n3nc(nc3C)C)c2)c4nc5ccccc5[nH]4	3040
+CC(C)(C)OC(NC(C(=O)OCc1ccccc1)CCc2nc3c([nH]2)cc(C)c(C)c3)=O	3040
+C1COCCN1c2cc3c([nH]c(n3)C(F)F)c(C(=O)OC)c2	3041
+C1CC2(CCN1Cc3n(CC)c4nc(Cl)nc(c4n3)N5CCOCC5)CCNC2=O	3042
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(-c3[nH]c4ccccc4n3)ccc2	3043
+c12cnc(Cl)c(F)c1c3c(nccc3)[nH]2	3044
+C(c1cnn(c1)CCF)#Cc2cc(-c3cccnc3F)ccc2	3045
+FC(F)(F)c1nn(cc1C(N(C2CCN(CC2)c3nnc(c(C)c3C)-c4ccc(cc4)F)C)=O)Cc5ccc(cc5)OC	3046
+c1([N+]([O-])=O)ccc2c(cn(c2c1)C)C(=O)O	3047
+[nH]1c2c(c(C(=O)c3cc([N+]([O-])=O)ccc3)c1)cc(cn2)-c4cnccc4	3048
+O=S(=O)(n1ncc(c1)C=O)c2ccc(cc2)C	3049
+CC(C)(C)NS(=O)(=O)c1cn(C)c(C(OC)=O)c1	3050
+O=S(=O)(c1cccc(-c2sc(cc2)-c3nn(C)cc3-c4ccccc4Cl)c1)C	3051
+CC(C)n1cc(-c2nc(N)ncc2)c(I)n1	3052
+c12c(cncc1sc(-c3c(F)cccc3Cl)n2)F	3053
+Clc1cc(cc(Cl)c1)-c2ccn[nH]2	3054
+c1cnccc1-c2cc[nH]n2	3054
+c1ccccc1CCCC(n2cnc3c(nc(nc23)Cc4cc(c(cc4)Cl)OC(F)F)O)C(O)C	3055
+Clc1cccc(c1)-c2c(ncn2C)-c3cc(C#N)ccn3	3056
+c1cc(ccc1Cl)-c2c(n[nH]c2N)C3CC3	3057
+Cc1cc(ccc1)CC(N2CCc3c2ccc(-c4c5c(n(CC)n4)ncnc5N)c3)=O	3058
+C1CN(CCO1)C(c2c(n(C)nc2)C(=O)Nc3cc4n(nc(N5CCCC5)n4)cc3)=O	3059
+C1COCCN1c2nn3cc(NC(c4c(cnn4C)C(N5CC(C5)F)=O)=O)ccc3n2	3059
+C(OC)CCNC(c1cnc(-n2ncc(c2OC)-c3cc(C)c(cc3)C#N)cc1)=O	3060
+C(OC)CCNC(c1cnc(-n2ncc(Br)c2OC)cc1)=O	3061
+c1c(F)c(c(cc1CCC2NCCCc3n(CC)nc(C)c23)F)C	3062
+c1c(F)c(c(cc1CCC2NCCCc3n(CC)nc(C)c23)F)C	3063
+C1C(CN1c2ncnc3c2c(I)nn3C)F	3064
+CC(C)n1ncc2c(N3CC4CCC(C3)O4)nc(nc12)-c5ccc(cc5)[N+](=O)[O-]	3064
+n1(ncc2c(c(cnc12)C(=O)OCC)O)CC	3065
+FC(F)c1cc(c(cc1-c2ccnn2C(C)C)C(OC)=O)N	3066
+c1cc(ccc1[N+](=O)[O-])Nc2c3ncn(C)c3nc(Cl)n2	3067
+c1cc(nc(Cl)c1OCOC)C#N	3068
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	3069
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	3070
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	3071
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(C(=O)N)n(C)c2CC3CCCCC3	3072
+c12[nH]c(cc1cc(Oc3cnc(cc3)COC)cc2OC)C(=O)N	3073
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(c2)cc(C(N)=O)[nH]3	3074
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(N)=O)n(C)n4	3075
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(N)=O)n(C)n4	3076
+NC(=S)c1cc2c([nH]1)c(cc(c2)Oc3cnc(cc3)COC)OC	3077
+NC(=S)c1cc2c([nH]1)c(cc(c2)Oc3cnc(cc3)COC)OC	3078
+c1cc(ccc1Cn2nc(cc2-c3cc(C)c(Cl)cc3)C(Cl)=O)C	3079
+CC1CCCC(C)N1C(=O)c2csc(n2)Br	3080
+C1CN(CCO1)C(=O)c2[nH]cc(C)c2-c3ccc(cc3)Cl	3081
+c1cc(ccc1F)-n2c(COc3cnc(C(NC(C)(C)CO)=O)cn3)c(C)nn2	3082
+C1CC1NC(c2ncc(OCc3c(C)onc3-c4ccccn4)cc2)=O	3083
+CC(C)(O)CNC(c1ccc(Cn2c(c(c(n2)C)-c3cc(c(C#N)cc3)Cl)C)cn1)=O	3083
+C1COCCN1CCNC(=O)c2cc(c([nH]2)C=O)C	3084
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(c2F)CNC(c3cc4c(c(C)ccc4)[nH]3)=O)c1	3085
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(n(C)n4)C(Cl)=O	3086
+c1(CCC(OCC)=O)[nH]cc(c1)CCCC	3087
+ClCc1nc2c(cc3c(c2)CC4(c5cccnc5NC4=O)C3)cc1	3088
+ClCc1nc2c(cc3c(c2)CC4(c5cccnc5NC4=O)C3)cc1	3089
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc3c(n2)nc(-c4cccc(c4)[N+]([O-])=O)o3)=O	3090
+C1CN(CCO1)c2nc(Cl)nc3c2nc(CN4CC(C4)C5CCOCC5)cc3	3091
+CC(C)(C)OC(=O)Nc1nc(CN2CCCC2)ccc1	3091
+C1CN(CCN1Cc2nccc(OC)n2)c3nc4N(CCCc4c(O)n3)C	3092
+CC(C)(C)OC(=O)N(C)CCCCN(Cc1c(C)cc(cn1)C)Cc2nccc3c2cccc3	3093
+O=C1c2ccccc2C(=O)N1CCCCN(C3c4c(CCC3)cccn4)Cc5nc6ccccc6n5C	3094
+CC(C)(C)OC(=O)N(C)CCCCNCc1c(C)cc(C)cn1	3095
+c1(N2CCOCC2C)nc(Cl)nc(CO)c1	3096
+c1c(ccc(C=Cc2occ(COc3cccc(c3)CCCn4nncc4)n2)c1F)F	3097
+c12cc3c(cc1nc(cc2)CO)CC4(c5cccnc5NC4=O)C3	3098
+CC(C)(C)OC(N1CC(Nc2c3c(Cl)cccc3cc(n2)C=4NNC(=O)N=4)CC1)=O	3099
+c1ccccc1-c2cc3c(C(C(=O)N3)=Cc4[nH]c(c(C(=O)NCCCN(CC)CC)c4C)C)cc2	3100
+CC(C)(C)[Si](C)(C)Oc1c(Br)ccc2ccc(nc12)C=NNc3ncccc3	3101
+CC(C)(C)OC(=O)N1CC2(C1)OCc3c2cnc(C=NO)c3	3102
+CC(C)(C)OC(=O)N(CC(=O)OC(C)(C)C)c1nc(ccc1)C=NO	3103
+c1cc(ccc1-c2cc([nH]n2)C=O)OC	3104
+c1ccccc1-c2noc(c2-c3cn(-c4ccc(cc4)[N+]([O-])=O)c(n3)C=O)C	3105
+CC(C)(C)OC(N(c1cccc(n1)C=O)CC(OC(C)(C)C)=O)=O	3106
+c1cc(ccc1)C(c2ccccc2)C(=O)Nc3cnc(nc3O)C=O	3107
+O=Cc1csc(-c2c(cc(C)cc2)[N+]([O-])=O)n1	3108
+c1cc(ccc1C(C(=O)Nc2sc3nc(OC)ccc3n2)CC4CCCC4)S(=O)(=O)CC(C)=O	3109
+C1CC(CCN1C(Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)=O)(O)C	3110
+C1COCCC1C(NC(Nc2ncc(cc2)Oc3ccnc(NC(=O)C)c3)=O)=O	3111
+C1N(CC1Oc2ccc(cc2)Cl)CC3C(CCCC3)NC(=O)Nc4nnc(s4)CC	3112
+CC(C)(C)c1cc(n(-c2ccc(cc2)CC(OCC)=O)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	3113
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(C(Nc4cnc(cn4)C)=O)cc(OC5COCC5)c3	3114
+c1cc(ccc1)COc2cc(OC3CCOC3)cc(c2)C(Nc4cnc(cn4)C)=O	3114
+n1c(C)cc(nc1SCc2c(c(SCCCSc3nn4c([N+](=O)[O-])cnc4cc3)ccn2)C)C	3115
+c1([nH]c2c(cccc2)n1)-c3n[nH]c4c3cc(I)cc4	3116
+C1CC1NC(c2cnn3ccc(nc23)N4C(c5cc(cc(OCCOC)c5)F)CCC4)=O	3117
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(C(NCC(CO)O)=O)cnn14	3117
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c(nc3cc(ccc3c12)OCc4ccccc4)N	3118
+C1COCCN1c2c3c4ccncc4[nH]c3ncn2	3119
+c1ccccc1Nc2c3ccc(Cl)nc3ncn2	3120
+FC(F)(F)c1c(sc(CNC(=O)OC(C)(C)C)n1)C#N	3121
+CC(C)(C)Nc1nc(SC)ncc1C(=O)N	3122
+CC(C)(C)OC(=O)N1CCCC(c2cc(c(N)nc2)-c3n(-c4c(c(F)ccc4)F)nnn3)=CC1	3123
+C1CN(CCS1)C(c2c3n(ccc3c(Nc4cccc(Cl)c4)nc2)C)=O	3124
+C[Si](C)(C)CCOCn1c2c(c(c1)C(=O)NCC(C)(C)CO)nc(-c3c4ccc(cc4n(C)n3)F)cn2	3125
+c1cc(ccc1C(C#N)NC(=O)c2nnn(c2)CCNC(c3c(c(c(cc3)OC)OC)OC)=O)Br	3126
+FC(F)(F)c1c(-c2nc(C(Nc3ncccc3N4CCC(CC4)(NC(=O)OC(C)(C)C)C)=O)c(nc2)N)nccc1OC	3127
+FC(F)(F)c1c(-c2nc(C(Nc3ncccc3N4CCC(CC4)(NC(=O)OC(C)(C)C)C)=O)c(nc2)N)nccc1OC	3128
+C1CC(CCN1c2nc(Cl)c(CO)nc2Cl)=NOC3CCN(CC3)C(=O)OC(C)C	3129
+CC(C)(C)OC(=O)Nc1cccc(c1)Nc2nc(SC)ncc2C=O	3130
+c1c(C(OC)=O)ncc(N)c1N	3131
+CC(C)(C)OC(=O)NC(C(Nc1cnc(nc1)Oc2cccc(C(C)C)c2)=O)C	3132
+c1cc(ccc1-c2cc(c(N)nc2)OCc3c(Cl)cccc3Cl)OCCN4CCOCC4	3133
+C1CCCCC1NC(C2(CC2)c3ccc(-c4ccc(C(NCC)=O)nc4)cc3F)=O	3134
+c1cc(ccc1)-c2nc(nnc2-c3cc4ccoc4cc3)N	3135
+CN(C)C(Cc1cc(cnc1)-c2cnc3N(C(=O)N)CCCc3c2)=O	3136
+C1CC(CCC1=O)n2ncc(c2)-c3cnc4[nH]cc(C(C)c5c(Cl)ccc(F)c5Cl)c4c3	3137
+c1ccccc1CCCN2c3c(N(C(=O)C(F)(F)C2)C)cnc(Cl)n3	3138
+c12c(O)c(C#N)cnc1cc(c(OC)c2)F	3139
+c12c(O)c(cnc1cc(c(OC)c2)F)C(=O)N	3140
+C1CN(CCC1c2ccc(cc2)F)C(=O)c3cnc(cc3Nc4cc(C)ccc4Cl)O	3141
+c1cc(ccc1-c2n(cc(C(=O)N3CC4C(C3)C4)c2C)C)Cl	3142
+c1cc(ccc1)-c2c(COc3ccc(cn3)C(NC(CO)C)=O)c(on2)C	3143
+c1cc(ccc1-c2c(ncc(C(=O)NC3CCCCC3O)c2)Cl)Cl	3143
+c1cc(ccc1F)-c2c(n(nn2)C)C#Cc3ccc(C(NC4CCOCC4)=O)cn3	3143
+CC(C)Nc1cc(ncc1C(NC2CCC3(CC2)OCCO3)=O)Nc4cc5c(ncs5)cc4	3144
+C1CCCN1CCCNC(=O)c2c(c3c(C4c5ccccc5NC4=O)ncnn3c2)C	3145
+C1CN(CCN1C)c2ncc(cc2)C(=O)NCc3ccccc3	3145
+CC(C)(C)OC(=O)NCC(c1ncc(C(=O)NCc2ccccc2)cc1)O	3145
+Brc1ccc(cn1)C(=O)Nc2ncc(C(Nc3ncc(cc3)Br)=O)cc2	3146
+c1ccccc1Nc2c(C(Nc3ccccc3Cl)=O)cnc(c2)NC(NCC)=O	3147
+FC(F)(F)c1c(cccc1)-c2n(C)cc(C(Nc3ccc(cc3)S(=O)(=O)C)=O)c2C	3148
+FC(F)(F)c1cc(ccc1-c2c(C)c(c[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)C)F	3148
+COc1cnc2ccc(F)c(c2n1)CC#N	3149
+c1cc2ccc(nc2c(c1F)CC#N)OC	3149
+O(C)c1c(CCl)cnc(C)c1Cl	3150
+C(O)c1ccc(Br)c2oc(nc12)C	3151
+O(c1ncc(CO)cc1[N+](=O)[O-])C	3152
+C(c1c2nc(oc2c(cc1)Br)C)=NO	3153
+O(c1ncc(cc1[N+](=O)[O-])C=O)C	3154
+O=Cc1c2nc(oc2c(cc1)Br)C	3155
+O(c1ncc(cc1[N+](=O)[O-])C=O)C	3156
+O=Cc1c2nc(oc2c(cc1)Br)C	3157
+c1cc(ccc1C(Nc2cnc(cc2)OCC(OC)=O)=O)F	3158
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CNc3cncc(c3)C)=O	3159
+O=S(=O)(Nc1c2c(cc(c1)N3CCOCC3)n(c(C)n2)Cc4c5c(ccc4)cccc5)C	3160
+O=S(=O)(Nc1cn(c(C#N)c1)C)C	3160
+C(C)OC(c1nc2n(cc(-c3[nH]nnc3)cc2)c1)=O	3161
+c1cc(ccc1Cc2oc(nn2)-c3c(c4C(=O)N(C)CCn4c3)OC)F	3162
+c1(c(nc2cc(OC)c(OC)cc2c1)Cl)C#N	3163
+c1c2c(ccc1OC)nc(Cl)c(C#N)c2	3164
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)OCC)n2	3165
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)OCC)n2	3166
+FC(F)(F)c1nn(c(c1)CO)-c2ccc(cc2)[N+]([O-])=O	3167
+Clc1cccc(CNc2cc(n(C)n2)C=O)c1	3168
+CC1(C)CC(CC(C)(C)N1C)Oc2ccc(C(Nc3ccc(cc3)NC(Nc4n(nc(c4)C(C)(C)C)C)=O)=O)nc2	3169
+c1c(Oc2cccc3sncc23)c(cc(c1)Nc4ncnc5ccn(C)c45)Cl	3170
+CC(C)(C)OC(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	3171
+C1CC(CCC1n2cc(nc2)C=O)C	3172
+C(C)C(CC)c1c2n3CCCCN(c3nc2c(Cl)cc1)c4c(cc(nc4)N(C)C)C	3173
+O(C)c1c(OC)ccc(-c2nn3c(-c4ccc(C#N)nc4)cnc3s2)c1	3174
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diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/composite_records.jsonl b/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/composite_records.jsonl
new file mode 100644
index 0000000000000000000000000000000000000000..46b2d9b6a1b7b782ed636b46451746b043cc9f14
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/composite_records.jsonl
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:b8ae66286106db9695e20a0cfd80e65e3d661ab8eddc2e37102bce5f5fbb0aa4
+size 123466852
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/preparation.json b/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/preparation.json
new file mode 100644
index 0000000000000000000000000000000000000000..e3ffcbcf1ed52fc4a8ee9aaff213f07ddd7a08ba
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/preparation.json
@@ -0,0 +1,163 @@
+{
+  "inputs": [
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/data/clean/n1_routes.json",
+      "sha256": "c1e396cd71228e3ab113412428571d223ef943835c3793f91b994b3341359439"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/data/clean/n5_routes.json",
+      "sha256": "5a27be2e0199f2bacd66556122f50906a24e27946bb30b1d9472d55d725e71af"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/catalog.sqlite",
+      "sha256": "4a82ce8257c310984a9d5a48a83a6c4b8849fa6dd50fc63a69c1161be0c7cb28"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/manifest.json",
+      "sha256": "0c0a7d689d8716cd1c6d7b3ab2c9935562186e5a0ccca965fc4fe1abfca1589f"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/provenance/occurrences.jsonl",
+      "sha256": "23e97342fac4515f32774f36057adc0c0478ad48be2ce55c9e19949cb7da286b"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/reports/retro_bleu_bigrams.tsv",
+      "sha256": "d978999fabee82a5c7211a9458cac93aa0e4d554cf0d4d5fb3c887fd4fc890e2"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/reports/rrseq_cons.tsv",
+      "sha256": "cc02533250ec230f28a17ff9e7cedb6479ccc26251d83b91533afbf7c153ca34"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/reports/rrseq_gap.tsv",
+      "sha256": "d3372dcb36bc5f21cac6e9d1a185d190c88fa1667c4c3c23200bb44186431570"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/reports/rrsubtree_cons.tsv",
+      "sha256": "f583deb0df745b737ea75efc268faf697d2d7905ac41c8924974d7f880fc845b"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/reports/rrsubtree_gap.tsv",
+      "sha256": "e3b596ff2b6a16660f03aa8a414bf7ec56d075faead6e6651b4ef2f9d9f5de8d"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/retro_bleu_bigrams/entries.jsonl",
+      "sha256": "3839672974a3a1721bb01daf54092519e85fb537978cee9d57961085c8d13f5c"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/retro_bleu_bigrams/occurrences.jsonl",
+      "sha256": "971a0012ab2eb4f84ba451f02871593ee76d9ca4bf18b16c0095f5e5b880f2d1"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/rrseq/entries.jsonl",
+      "sha256": "ad99c2da0765701cfa50dc27e227a2116a748f3c8ffb82c442386cf13f54a88f"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n1/rrsubtree/entries.jsonl",
+      "sha256": "d32965ca4c536263250bc33ce824cc707ff102446c33663315b3611f04281411"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/catalog.sqlite",
+      "sha256": "c90b51889271499a3b0e2ec4e24d5ff34e9368492c20e8518e99e01944094f03"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/manifest.json",
+      "sha256": "748833665b9d46f6f8474b749c3f54b4bed0469c7e9f16a638947ba4ea5f8ecf"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/provenance/occurrences.jsonl",
+      "sha256": "251a2ef8fcba19fa52201b3f3a071d080db54c63fcc042a12a969a2a41afa4ff"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/reports/retro_bleu_bigrams.tsv",
+      "sha256": "eaa0781c207931597a1e11450ef08c172e06dafdf8c1ab1b0d622cbc4c16e234"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/reports/rrseq_cons.tsv",
+      "sha256": "8e429e21d1a8f3700977b1413eb7d22b4f25ae641d7fa875b8628d58c3027cec"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/reports/rrseq_gap.tsv",
+      "sha256": "ec6b4f4c259f91104643c08f94be5d0d056a7f413f93e08424e077e683779587"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/reports/rrsubtree_cons.tsv",
+      "sha256": "2eaa2a2ee5f1d3a42a143a36dbec61a8c8da68ef0c212b2b2be87a0132a350e6"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/reports/rrsubtree_gap.tsv",
+      "sha256": "52392f7f23d812cf081377517dbfbc4a8cd00b7a5a902834419169dd42755691"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/retro_bleu_bigrams/entries.jsonl",
+      "sha256": "bb2c4161655f9bd98a856a453aa1e8349c8da9efa70ad031bf02eef5483e798d"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/retro_bleu_bigrams/occurrences.jsonl",
+      "sha256": "92c36fa731d7cfd4658fab897d6b3776d5df93826d2988d9668dcce90f81ac81"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/rrseq/entries.jsonl",
+      "sha256": "6b5fa08b1fa1335edf0de2616879d7a0308b321430bb3e45c5924fb84156240f"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/reference_libraries/n5/rrsubtree/entries.jsonl",
+      "sha256": "3106b3aa9ac26a398e73ecd2eef5d5295d10e434a575b740bb17283d9324bea5"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/catalog.sqlite",
+      "sha256": "b7f251b5e5265fcd382876696382f2d651fcb28cb19dd6d050fde7aba0e0b55b"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/composites/entries.jsonl",
+      "sha256": "aad0798ff7f5da3b390b100202a047388d7b2fc1f263a77224d11e179c48bbb9"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/manifest.json",
+      "sha256": "d96aa7aee6fa2b46b5f1296539c3dbccb6b810d7f0e69d59c33a549a8f621fb2"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/provenance/decomposition_links.jsonl",
+      "sha256": "2d3834d0f82c783a77e35a67ff60cd24be1b734c397657527fa3e855e1d0f385"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/provenance/reindex.json",
+      "sha256": "4dc40e755d35efc70caf24867d855be10a76182651873f71cba563eabfab41ba"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/reports/errors.jsonl",
+      "sha256": "ab70c7a82b2175b40bf8feeca57b1a4548a11fbe637395923c2a54e43f5ae4ba"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/reports/rrseq_cons.tsv",
+      "sha256": "d3c79671819e86d69cadb91b6cc7ea07ebc75fd07945568eba7b25d1a2ef4d8a"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/reports/rrsubtree_cons.tsv",
+      "sha256": "ce5f7f794a86318895c4e636a5849686d33d21dac8bb4c79cc1becf75c5dd2fa"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/route-inspector/outputs/composite_libraries/n1/summary.json",
+      "sha256": "e1e668ca89d374ac73c5ccdef2246b89fda352ef77ae197954f62f70a355a402"
+    }
+  ],
+  "kind": "linear-composites",
+  "occurrence_count": 4243,
+  "outputs": {
+    "composite.manifest.json": "9d5316b542c8b0ddf05b8ef2a6c2c981e4066c8ba4eaa8f448baef9686cc21a7",
+    "composite.tsv": "af1b14fbeca412af9a72d5259150b04adb214729b9aeeaadd2cb8a9903fe5c5c",
+    "composite_policy_data.tsv": "fc8f97c59009672ea6d6c3eb90c7928f6c0306ecbcca1cec5a5eda9115bfc1d7",
+    "composite_records.jsonl": "b8ae66286106db9695e20a0cfd80e65e3d661ab8eddc2e37102bce5f5fbb0aa4"
+  },
+  "policy_rows": 4232,
+  "rule_count": 3185,
+  "schema": "retrocomposite-preparation/1",
+  "software": {
+    "SynPlanner": "1.8.0",
+    "chython-synplan": "1.108",
+    "retrocomposite": "0.1.0",
+    "route-inspector": "3.0.0.dev0"
+  },
+  "stereo": "ignored",
+  "training_dataset": "n1"
+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/support.json b/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/support.json
new file mode 100644
index 0000000000000000000000000000000000000000..23dda94a1ef897020220870a3fa6e9de60d616ca
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/primary/support.json
@@ -0,0 +1,45369 @@
+{
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+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/reference_errors.jsonl b/releases/n1-n5-composites-inchi-v1/payload/cohorts/reference_errors.jsonl
new file mode 100644
index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/route_audit.jsonl b/releases/n1-n5-composites-inchi-v1/payload/cohorts/route_audit.jsonl
new file mode 100644
index 0000000000000000000000000000000000000000..519781e39307f3d0aaa773d6b9cff1d2fa418cb9
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/route_audit.jsonl
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:878d52c40ee96a187e1b7e3dce019d37fbd2aee2e3d03f03071c317c50a5de79
+size 13185441
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/selection.json b/releases/n1-n5-composites-inchi-v1/payload/cohorts/selection.json
new file mode 100644
index 0000000000000000000000000000000000000000..5baa20327a8cfa1ebd27f0be6a172d4b7dd80bb1
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/selection.json
@@ -0,0 +1,81030 @@
+{
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+          "composite_rule": "[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](-[O:3]-[C:5]-[C:6])=[O:4]",
+          "occurrences": [
+            "reference_o_0cc87841bada900b47d97b28402ced181e1cdf2927e0c01e3eed891ac249e5c0"
+          ],
+          "variant_id": "composite_variant_i_b23b58bfc8339814d24fec1f7b97af860f99d5a51fdd31f1136b893e56ec2212"
+        },
+        {
+          "composite_id": "composite_i_ffcdd0b62365cfe019818f27814a38a81240ce2c47638ab19d5ea92bdebc640b~0000",
+          "composite_rule": "[c:1]:1:[c:2](-[C:3]-[O:4]-[c:5]):[c:6]:[n:7]:[o:8]:1>>[c:1]:1:[c:2](-[C:3]-[O:9]):[c:6]:[n:7]:[o:8]:1.[O:4]-[c:5]",
+          "occurrences": [
+            "reference_o_df662ba378735ab83c418a43b3d2851b9e6ef79dca193d726b47fe7bcf0781e0",
+            "reference_o_fc0c969d02cbd9e32f41265017f4c5407098cf79fb75880f0c338a59982c3c14"
+          ],
+          "variant_id": "composite_variant_i_c536ba7a2bff0ad1143304133f08f2aaf2a0b77167fede8fae1f13ef6a83e042"
+        },
+        {
+          "composite_id": "composite_i_ffdac504166844929693812dd9279dfbb7c293ac7ef186792d978f909611e68f~0000",
+          "composite_rule": "[S:1]-[C:2](=[O:3])-[O:4]-[c:5]:1:[c:6](-[C:7](=[O:8])-[c:9]):[c:10]:[n:11]:[n:12]:1-[C:13]>>[S:1]-[C:2](=[O:3])-[Cl:14].[O:4]=[C:5]-1-[C:6]-[C:10]=[N:11]-[N:12]-1-[C:13].[C:7](=[O:8])(-[c:9])-[O:15]-[C:16]",
+          "occurrences": [
+            "reference_o_1e96f119b44ed0fbae4b368bd7219eb8fde2fadc4e1dbae8b9f9752a3fb96752"
+          ],
+          "variant_id": "composite_variant_i_769c771ca71cd44c93354a8e151d58be99993bafe2d2362f37c3d2e8a6ed0067"
+        }
+      ]
+    }
+  },
+  "counting_unit": "certified reference-occurrence / exact-variant link",
+  "e3_coverage": "All adjacent ordered InChI reaction pairs in all n5 routes; any repeated sequence of length >=2 contains a matching pair",
+  "exact_graph_audit": {
+    "affects_eligibility": false,
+    "matcher": "NetworkX VF2 with complete atom and bond labels",
+    "networkx_version": "3.7",
+    "policy": "full-mapped-reaction-pair-with-all-intermediate-alignments/2",
+    "scope": "Every E3 signature-match witness; repeated witnesses count per occurrence/variant link",
+    "status_counts": {
+      "different": 1,
+      "match": 7098
+    }
+  },
+  "libraries": {
+    "n1": {
+      "identity_configuration": {
+        "authoritative_equivalence": "independent_query_sides_and_rooted_topology",
+        "canonical_key_function_contract": "canonical_query_cgr_key(QueryCGR) -> deterministic str",
+        "canonicalization_fallback": "exact_isomorphism_within_candidate_buckets",
+        "cross_side_atom_correspondence_in_identity": false,
+        "lookup_key_role": "candidate_signature_only",
+        "query_cgr_key_scope": "context_bearing",
+        "query_cgr_key_source": "synplan.chem.utils.canonical_query_cgr_key",
+        "query_side_source": "live_extracted_query_objects",
+        "reference_occurrence_id_scope": "tactic_kind_and_full_reference_route_and_native_id",
+        "reference_occurrence_id_version": 1,
+        "rrseq_gap_width_encoding": "ordered_inter_selection_counts_including_zeros",
+        "rrseq_gap_width_in_identity": true,
+        "rrseq_rule_order_preserved": true,
+        "rrsubtree_sibling_order_preserved": false,
+        "rrsubtree_skipped_reaction_count_in_identity": true,
+        "synplanner_version": "1.8.0",
+        "tactic_identity_version": 4,
+        "unrepresented_query_constraint_policy": "exact_representation_only"
+      },
+      "processing_profile": {
+        "factorability_config": {
+          "context_radius": 2,
+          "enabled": false,
+          "max_replay_outcomes": 256,
+          "require_unique_replay": false
+        },
+        "input_state": "preprocessed",
+        "mapping_validation": true,
+        "protection_config": {
+          "collect_interval_rules": false,
+          "deprotection_first": true,
+          "ignore_errors": false,
+          "include_multicenter": true,
+          "keep_ambiguous_traces": true,
+          "max_rrseq_cons_size": 6,
+          "max_trace_depth": 50,
+          "min_rrseq_cons_size": 2,
+          "querycgr_compare": true,
+          "raw_config": {},
+          "similarity_threshold": 0.7,
+          "write_debug_json": false,
+          "write_debug_svg": false
+        },
+        "rrseq_max_length": 20,
+        "rrseq_min_length": 2,
+        "rrsubtree_max_candidates_per_route": 100000,
+        "rrsubtree_max_size": 12,
+        "rrsubtree_min_size": 3,
+        "rule_extraction_config": {
+          "as_query_container": true,
+          "atom_info_retention": {
+            "environment": {
+              "implicit_hydrogens": false,
+              "neighbors": false,
+              "ring_sizes": false
+            },
+            "reaction_center": {
+              "implicit_hydrogens": false,
+              "neighbors": false,
+              "ring_sizes": false
+            }
+          },
+          "environment_atom_count": 1,
+          "func_groups_list": [
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[O,S;h0]=C[O,Cl,I,Br,F]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[O,S;h0]=CN"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "S(O)(O)[Cl]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "B(O)O"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[Si](C)(C)C"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[Si](OC)(OC)(OC)"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[N;H0;$(N-[#6]);D2]-,=[N;D2]-,=[N;D1]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "O=C1N([Br,I,F,Cl])C(=O)CC1"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "Cc1ccc(S(=O)(=O)O)cc1"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "CC(C)(C)OC(=O)[N]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[C;h3][C;h0]([C;h3])([C;h3])O"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[C,N]=[C,N]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[C,N]#[C,N]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "C=C-[A]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "C#C-[A]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "O=C-[A]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "O=C([C;h3])-[A]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "O=C([O,N])-[A]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "ClS(Cl)=O"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[Mg,Li,Zn,Sn][Br,Cl,I,F]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "S(O)(O)"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "N~N"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[C;a]:[N,S,O;a]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[N,S,O;a]:[C;a]:[C;a]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[B,C](F)(F)F"
+            }
+          ],
+          "ignore_stereo": true,
+          "implementation_versions": {
+            "chython": "1.108",
+            "route_cgr_compatibility": "synplanner-1.8.0-state-and-stereo-v1",
+            "synplanner": "1.8.0"
+          },
+          "include_func_groups": true,
+          "include_rings": false,
+          "keep_incoming_groups": false,
+          "keep_leaving_groups": true,
+          "keep_metadata": false,
+          "keep_reagents": false,
+          "min_popularity": 1,
+          "multicenter_rules": true,
+          "reactor_validation": false,
+          "reverse_rule": true,
+          "single_product_only": true,
+          "worker_timeout_per_reaction": 10.0
+        },
+        "schema_version": 3,
+        "source_id_adapter": "paroutes-semicolon-v1"
+      },
+      "reference_library_id": "reference_library_ea5c92d5d46c8b55427973118ef4baa426719a64ae605b3bab96607f0dfc742c",
+      "reference_statistics": {
+        "entries_by_kind": {
+          "rrseq_cons": 9690,
+          "rrseq_gap": 1996,
+          "rrsubtree_cons": 329,
+          "rrsubtree_gap": 30
+        },
+        "entry_count": 12045,
+        "occurrence_count": 17018,
+        "occurrences_by_kind": {
+          "rrseq_cons": 14164,
+          "rrseq_gap": 2468,
+          "rrsubtree_cons": 355,
+          "rrsubtree_gap": 31
+        },
+        "reference_route_count_processed": 10000,
+        "reference_route_count_with_tactics": 7785,
+        "reference_route_count_without_extracted_tactics": 2215
+      },
+      "tactic_count": 9690
+    },
+    "n1_composites": {
+      "library_format_version": 3,
+      "library_id": "composite_library_6d9de6db0599ef7f0831b26b38c3904d5ac4ea8fc9725575b216512629acb820",
+      "selected_kind": "rrseq_cons",
+      "source_reference_library_id": "reference_library_ea5c92d5d46c8b55427973118ef4baa426719a64ae605b3bab96607f0dfc742c",
+      "source_routes_sha256": "c1e396cd71228e3ab113412428571d223ef943835c3793f91b994b3341359439",
+      "statistics": {
+        "certified_link_count": 13445,
+        "composite_entry_count": 8552,
+        "constructions_seen": 14519,
+        "error_count": 1074,
+        "exact_variant_count": 11076,
+        "identity_canonical_variant_count": 11076,
+        "identity_exact_representation_variant_count": 0,
+        "identity_noncanonical_fallback_variant_count": 0,
+        "identity_version": 3,
+        "rrseq_cons_certified_link_count": 13121,
+        "rrseq_cons_route_count": 6907,
+        "rrsubtree_cons_certified_link_count": 324,
+        "rrsubtree_cons_route_count": 242
+      }
+    },
+    "n5": {
+      "identity_configuration": {
+        "authoritative_equivalence": "independent_query_sides_and_rooted_topology",
+        "canonical_key_function_contract": "canonical_query_cgr_key(QueryCGR) -> deterministic str",
+        "canonicalization_fallback": "exact_isomorphism_within_candidate_buckets",
+        "cross_side_atom_correspondence_in_identity": false,
+        "lookup_key_role": "candidate_signature_only",
+        "query_cgr_key_scope": "context_bearing",
+        "query_cgr_key_source": "synplan.chem.utils.canonical_query_cgr_key",
+        "query_side_source": "live_extracted_query_objects",
+        "reference_occurrence_id_scope": "tactic_kind_and_full_reference_route_and_native_id",
+        "reference_occurrence_id_version": 1,
+        "rrseq_gap_width_encoding": "ordered_inter_selection_counts_including_zeros",
+        "rrseq_gap_width_in_identity": true,
+        "rrseq_rule_order_preserved": true,
+        "rrsubtree_sibling_order_preserved": false,
+        "rrsubtree_skipped_reaction_count_in_identity": true,
+        "synplanner_version": "1.8.0",
+        "tactic_identity_version": 4,
+        "unrepresented_query_constraint_policy": "exact_representation_only"
+      },
+      "processing_profile": {
+        "factorability_config": {
+          "context_radius": 2,
+          "enabled": false,
+          "max_replay_outcomes": 256,
+          "require_unique_replay": false
+        },
+        "input_state": "preprocessed",
+        "mapping_validation": true,
+        "protection_config": {
+          "collect_interval_rules": false,
+          "deprotection_first": true,
+          "ignore_errors": false,
+          "include_multicenter": true,
+          "keep_ambiguous_traces": true,
+          "max_rrseq_cons_size": 6,
+          "max_trace_depth": 50,
+          "min_rrseq_cons_size": 2,
+          "querycgr_compare": true,
+          "raw_config": {},
+          "similarity_threshold": 0.7,
+          "write_debug_json": false,
+          "write_debug_svg": false
+        },
+        "rrseq_max_length": 20,
+        "rrseq_min_length": 2,
+        "rrsubtree_max_candidates_per_route": 100000,
+        "rrsubtree_max_size": 12,
+        "rrsubtree_min_size": 3,
+        "rule_extraction_config": {
+          "as_query_container": true,
+          "atom_info_retention": {
+            "environment": {
+              "implicit_hydrogens": false,
+              "neighbors": false,
+              "ring_sizes": false
+            },
+            "reaction_center": {
+              "implicit_hydrogens": false,
+              "neighbors": false,
+              "ring_sizes": false
+            }
+          },
+          "environment_atom_count": 1,
+          "func_groups_list": [
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[O,S;h0]=C[O,Cl,I,Br,F]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[O,S;h0]=CN"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "S(O)(O)[Cl]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "B(O)O"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[Si](C)(C)C"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[Si](OC)(OC)(OC)"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[N;H0;$(N-[#6]);D2]-,=[N;D2]-,=[N;D1]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "O=C1N([Br,I,F,Cl])C(=O)CC1"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "Cc1ccc(S(=O)(=O)O)cc1"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "CC(C)(C)OC(=O)[N]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[C;h3][C;h0]([C;h3])([C;h3])O"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[C,N]=[C,N]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[C,N]#[C,N]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "C=C-[A]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "C#C-[A]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "O=C-[A]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "O=C([C;h3])-[A]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "O=C([O,N])-[A]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "ClS(Cl)=O"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[Mg,Li,Zn,Sn][Br,Cl,I,F]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "S(O)(O)"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "N~N"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[C;a]:[N,S,O;a]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[N,S,O;a]:[C;a]:[C;a]"
+            },
+            {
+              "object_type": "chython.containers.query.QueryContainer",
+              "query_smarts": "[B,C](F)(F)F"
+            }
+          ],
+          "ignore_stereo": true,
+          "implementation_versions": {
+            "chython": "1.108",
+            "route_cgr_compatibility": "synplanner-1.8.0-state-and-stereo-v1",
+            "synplanner": "1.8.0"
+          },
+          "include_func_groups": true,
+          "include_rings": false,
+          "keep_incoming_groups": false,
+          "keep_leaving_groups": true,
+          "keep_metadata": false,
+          "keep_reagents": false,
+          "min_popularity": 1,
+          "multicenter_rules": true,
+          "reactor_validation": false,
+          "reverse_rule": true,
+          "single_product_only": true,
+          "worker_timeout_per_reaction": 10.0
+        },
+        "schema_version": 3,
+        "source_id_adapter": "paroutes-semicolon-v1"
+      },
+      "reference_library_id": "reference_library_55634a4c02c4fa307ba069176e12264cc1ee8195d34794a1a890ba15ada44c7c",
+      "reference_statistics": {
+        "entries_by_kind": {
+          "rrseq_cons": 12272,
+          "rrseq_gap": 3100,
+          "rrsubtree_cons": 630,
+          "rrsubtree_gap": 79
+        },
+        "entry_count": 16081,
+        "occurrence_count": 24536,
+        "occurrences_by_kind": {
+          "rrseq_cons": 19612,
+          "rrseq_gap": 4075,
+          "rrsubtree_cons": 761,
+          "rrsubtree_gap": 88
+        },
+        "reference_route_count_processed": 10000,
+        "reference_route_count_with_tactics": 8869,
+        "reference_route_count_without_extracted_tactics": 1131
+      },
+      "tactic_count": 12272
+    }
+  },
+  "links_with_errors": 1,
+  "max_alignments": 256,
+  "molecule_identity": {
+    "chython_synplan_version": "1.108",
+    "identifier": "full Standard InChI",
+    "ignore_stereo": true,
+    "libinchi_binary": "libinchi_arm64.dylib",
+    "libinchi_sha256": "956d0d4c97ebca1cdf04157585897b638a153c21d5d3df6272126d4a3800846b",
+    "policy": "chython-standard-inchi-stereo-free/1",
+    "tautomer_policy": "Standard InChI mobile-H normalization"
+  },
+  "n1_patent_complete_routes": 10000,
+  "n1_patent_incomplete_routes": 0,
+  "n5_patent_incomplete_routes": 0,
+  "n5_reference_errors": 0,
+  "occurrence_links": 13121,
+  "patent_identity": "PaRoutes original reaction IDs; uppercase; remove whitespace/slash/hyphen; retain kind code",
+  "patent_identity_policy": "paroutes-document-identifiers-including-legacy-us-reissue-sir/2",
+  "patent_reason_counts": {
+    "SHARED_PATENT": 5652
+  },
+  "primary_status_counts": {
+    "eligible": 4243,
+    "excluded": 8878
+  },
+  "reagent_policy": "Compare full participating reactants/products; ignore reaction middle-field reagents",
+  "reason_combinations": {
+    "E1_SHARED_FINAL_TARGET": 1,
+    "E1_SHARED_FINAL_TARGET|E2_SHARED_MOTIF_INPUT": 13,
+    "E1_SHARED_FINAL_TARGET|E2_SHARED_MOTIF_INPUT|E3_SHARED_CONCRETE_SEGMENT": 3648,
+    "E1_SHARED_FINAL_TARGET|E2_SHARED_MOTIF_INPUT|E3_SHARED_CONCRETE_SEGMENT|NOT_SHARED_TACTIC": 9,
+    "E1_SHARED_FINAL_TARGET|E2_SHARED_MOTIF_INPUT|NOT_SHARED_TACTIC": 13,
+    "E2_SHARED_MOTIF_INPUT": 34,
+    "E2_SHARED_MOTIF_INPUT|E3_SHARED_CONCRETE_SEGMENT": 758,
+    "E2_SHARED_MOTIF_INPUT|E3_SHARED_CONCRETE_SEGMENT|NOT_SHARED_TACTIC": 9,
+    "E2_SHARED_MOTIF_INPUT|NOT_SHARED_TACTIC": 15,
+    "E3_SHARED_CONCRETE_SEGMENT": 112,
+    "E3_SHARED_CONCRETE_SEGMENT|NOT_SHARED_TACTIC": 143,
+    "NONE": 4243,
+    "NOT_SHARED_TACTIC": 4123
+  },
+  "reason_counts": {
+    "E1_SHARED_FINAL_TARGET": 3684,
+    "E2_SHARED_MOTIF_INPUT": 4499,
+    "E3_SHARED_CONCRETE_SEGMENT": 4679,
+    "NOT_SHARED_TACTIC": 4312
+  },
+  "schema": "retrocomposite-cohort-selection/3",
+  "segment_identity": "ordered-stereo-free-inchi-reaction-pair/1",
+  "sensitivity_status_counts": {
+    "eligible": 2996,
+    "excluded": 10125
+  },
+  "shared_tactic_count": 5239,
+  "unchanged_inputs": [
+    "single-step n1+n5 corpus",
+    "union leaf stock"
+  ],
+  "unique_occurrences": 13121
+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/cohorts/shared_tactics.json b/releases/n1-n5-composites-inchi-v1/payload/cohorts/shared_tactics.json
new file mode 100644
index 0000000000000000000000000000000000000000..636d17fe3884d378ee9a8af8fa79f689f9ea56af
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/cohorts/shared_tactics.json
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:4149f05c438981b8d62e2f7b17051271ef4faf7d9faef348f5b4355d5aa46fb7
+size 287201107
diff --git a/releases/n1-n5-composites-inchi-v1/payload/single_step/policy_product_normalization.jsonl b/releases/n1-n5-composites-inchi-v1/payload/single_step/policy_product_normalization.jsonl
new file mode 100644
index 0000000000000000000000000000000000000000..22488cda206f4506850fec6e2385c15ec91585a2
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/single_step/policy_product_normalization.jsonl
@@ -0,0 +1,22 @@
+{"canonical": "Cc1cc(ccc1)Cc2[nH]nc(N)c2", "original": "[nH]1c(N)cc(Cc2cc(C)ccc2)n1", "row_index": 2571, "rule_id": 3321}
+{"canonical": "C1(=O)C(=O)Nc2c(cc(c(c2[N+](=O)[O-])N)Cl)N1", "original": "c12c(c([N+]([O-])=O)c(c(Cl)c1)N)nc(O)c(n2)O", "row_index": 6753, "rule_id": 3564}
+{"canonical": "C1(C(Nc2c3[nH]cnc3c(Cl)cc2N1)=O)=O", "original": "c1c2c(c3nc[nH]c3c1Cl)nc(O)c(n2)O", "row_index": 7161, "rule_id": 6070}
+{"canonical": "C1CN(CCC1OC)CCCNC2=N[N+](c3c(N2[O-])cc4c(CCC4)c3)=O", "original": "C1CN(CCC1OC)CCCNC2=N[N+](=O)C=3C(=CC=4CCCC=4C=3)N2[O-]", "row_index": 13591, "rule_id": 6686}
+{"canonical": "C1CN(CCO1)CCCNC=2[N+](=O)c3cc4CCCOc4cc3N(N=2)[O-]", "original": "C1CN(CCO1)CCCNC2=NN(C=3C(=CC4=C(OCCC4)C=3)[N+]2=O)[O-]", "row_index": 14381, "rule_id": 6757}
+{"canonical": "CC(C)(C)OC(CC(CCCC1CCCCC1)C(ONC(=N)Cc2ccncc2)=O)=O", "original": "CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C(ON=C(N)Cc2ccncc2)=O", "row_index": 18182, "rule_id": 4075}
+{"canonical": "CC(C)(C)OC(N(C)C(C(NO)=N)CCCC(O)C)=O", "original": "CC(C)(C)OC(N(C)C(C(=NO)N)CCCC(O)C)=O", "row_index": 21798, "rule_id": 609}
+{"canonical": "CC(C)(C)OC(NC(C)C(=N)NOC(=O)C)=O", "original": "CC(C)(C)OC(=O)NC(C(N)=NOC(C)=O)C", "row_index": 23314, "rule_id": 7533}
+{"canonical": "CC(C)(C)[Si](C)(C)OC(c1ccc(cc1)C(NO)=N)CN2CC(C(OCC)=O)CCC2", "original": "CC(C)(C)[Si](C)(C)OC(CN1CC(C(OCC)=O)CCC1)c2ccc(cc2)C(N)=NO", "row_index": 24711, "rule_id": 253}
+{"canonical": "c1ccccc1-c2nn(c3C4(CC(C(=O)C(C)C4CCc23)C=O)c5ccccc5)C", "original": "c1ccccc1C23CC(C(=O)C(C2CCc4c3n(nc4-c5ccccc5)C)C)=CO", "row_index": 31188, "rule_id": 4500}
+{"canonical": "c1cc(ccc1)C23C(CCc4c2nc(nc4OC)-c5ccccc5OC)C(C)C(C(C3)C=O)=O", "original": "c1ccccc1C23c4nc(-c5ccccc5OC)nc(c4CCC2C(C)C(C(C3)=CO)=O)OC", "row_index": 31189, "rule_id": 4500}
+{"canonical": "c1c(-c2cc(ccc2)OC)[nH]nc1N", "original": "[nH]1c(N)cc(-c2cc(ccc2)OC)n1", "row_index": 33551, "rule_id": 1941}
+{"canonical": "c1(Cc2[nH]nc(NC=C3c4ccccc4NC3=O)c2)cc(ccc1)C", "original": "c12C(=CNc3[nH]nc(c3)Cc4cc(ccc4)C)C(Nc1cccc2)=O", "row_index": 34523, "rule_id": 4604}
+{"canonical": "Cc1nc(Cl)c(c(c1Cl)C)C(NO)=N", "original": "Cc1nc(Cl)c(C(=NO)N)c(c1Cl)C", "row_index": 34649, "rule_id": 4610}
+{"canonical": "N=C(Cc1cccnc1)NO", "original": "ON=C(Cc1cccnc1)N", "row_index": 41314, "rule_id": 609}
+{"canonical": "c12c(cccc1)CN(C2)C(=O)Nc3ccc(cc3)C(NO)=N", "original": "c12c(cccc1)CN(C2)C(=O)Nc3ccc(cc3)C(=NO)N", "row_index": 47057, "rule_id": 253}
+{"canonical": "c1cc(ccc1C(=N)NO)-c2nc3c([nH]2)cccc3", "original": "c1cc(ccc1-c2nc3c(cccc3)[nH]2)C(N)=NO", "row_index": 47105, "rule_id": 253}
+{"canonical": "c1cc(ccc1C(NO)=N)C2CC3(C(N(C(N3)=O)C)=O)CC2", "original": "c1cc(ccc1C(=NO)N)C2CC3(C(N(C(N3)=O)C)=O)CC2", "row_index": 47107, "rule_id": 253}
+{"canonical": "c1ccccc1C(F)(F)C(NO)=N", "original": "FC(F)(C(N)=NO)c1ccccc1", "row_index": 47172, "rule_id": 609}
+{"canonical": "c12c(cc3CCCc3c1)[N+](=O)N=C(NCCN(C)CCCOC)N2[O-]", "original": "C(N(CCN=C1N[N+](=O)C=2C(=CC=3CCCC=3C=2)N1[O-])C)CCOC", "row_index": 47324, "rule_id": 10315}
+{"canonical": "N(c1cc([nH]n1)-c2cc(ccc2)OC)C=C3c4ccccc4NC3=O", "original": "c1(cc([nH]n1)NC=C2c3ccccc3NC2=O)-c4cc(ccc4)OC", "row_index": 50097, "rule_id": 4604}
+{"canonical": "c1cc(ccc1-c2ccccc2S(C)=O)CC(c3ncc(CC(C)(C)CC)[nH]3)(O)C", "original": "c1cc(ccc1-c2ccccc2S(C)=O)CC(O)(C)c3nc(c[nH]3)CC(C)(C)CC", "row_index": 53242, "rule_id": 5050}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/single_step/preparation.json b/releases/n1-n5-composites-inchi-v1/payload/single_step/preparation.json
new file mode 100644
index 0000000000000000000000000000000000000000..9499349d1fed2a4db4c34b4d34beece3b8502c8d
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/single_step/preparation.json
@@ -0,0 +1,53 @@
+{
+  "config": "9dc216f8693e444a93a70339faed2ae899595dc7d43948a5753d476124568cca",
+  "deduplication": "stereo-free reactant/product multisets; reagents excluded",
+  "duplicates": 13804,
+  "excluded_reaction_count": 0,
+  "inputs": [
+    {
+      "path": "../route-inspector/data/clean/n1_routes.json",
+      "sha256": "c1e396cd71228e3ab113412428571d223ef943835c3793f91b994b3341359439"
+    },
+    {
+      "path": "../route-inspector/data/clean/n5_routes.json",
+      "sha256": "5a27be2e0199f2bacd66556122f50906a24e27946bb30b1d9472d55d725e71af"
+    },
+    {
+      "path": "configs/rule_extraction.yaml",
+      "sha256": "9dc216f8693e444a93a70339faed2ae899595dc7d43948a5753d476124568cca"
+    }
+  ],
+  "kind": "single-step",
+  "outputs": {
+    "policy_product_normalization.jsonl": "af78b3ad35018a52ddc916f0bd05f7ed77e37b8853a59a25581ab0ea94d2a977",
+    "reaction_provenance.jsonl": "be1b5196a03829773fd1faa5687d6ce14cbf72d19087deb9586119e53458175e",
+    "reactions.smi": "e8ffb9ba9837a6e19f269fefe6bb1b5c2c4b3b097fed783ebd505897572d1cbd",
+    "single_step.audit.tsv": "7e768b6bcef28f43dbf69ef0075aba95e7d1abc47650bd379681fc460b257435",
+    "single_step.errors.tsv": "0d185fc10c2c9b91d1f2bf8fb8c98ac2cc1f6a102aed967599ab45cadec5aa6c",
+    "single_step.manifest.json": "4c3d152ee67763ef3219bd9a6fecd1b2fc313810d6a46eb70823b6decb93d572",
+    "single_step.stereo.jsonl": "a2e8df9a9a7cb0ac15cc8b6a7486d4825d65005d679464799c71c5554a4e79ab",
+    "single_step.tsv": "479d34a98d8e670f889f6ee29405a802d432a97bd1a4280d0b9bdd98642d3ac5",
+    "single_step_policy_data.native.tsv": "8e5c637f61ec5a9312056c5d54a86ffd0d1dd5994cdfd29b4cf712c5a9b38c55",
+    "single_step_policy_data.tsv": "24fe9bb31584e10c66f490788c42d43244d5284c4b6434e368b7fc9f5c99a805"
+  },
+  "policy_product_normalization": {
+    "changed_rows": 22,
+    "native_rows": "single_step_policy_data.native.tsv",
+    "policy": "retrocomposite.molecule_key; same as stock and grouped splitting",
+    "rows": 57381
+  },
+  "policy_rows": 57381,
+  "reaction_occurrences": 71185,
+  "retained_reaction_count": 57381,
+  "rule_count": 11209,
+  "schema": "retrocomposite-preparation/1",
+  "software": {
+    "SynPlanner": "1.8.0",
+    "chython-synplan": "1.108",
+    "retrocomposite": "0.1.0",
+    "route-inspector": "3.0.0.dev0"
+  },
+  "stereo": "ignored",
+  "unique_reactions": 57381,
+  "workers": 1
+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/single_step/reaction_provenance.jsonl b/releases/n1-n5-composites-inchi-v1/payload/single_step/reaction_provenance.jsonl
new file mode 100644
index 0000000000000000000000000000000000000000..d7861252da6076c6c3e434a709f306863b1aa969
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/single_step/reaction_provenance.jsonl
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:be1b5196a03829773fd1faa5687d6ce14cbf72d19087deb9586119e53458175e
+size 32200325
diff --git a/releases/n1-n5-composites-inchi-v1/payload/single_step/reactions.smi b/releases/n1-n5-composites-inchi-v1/payload/single_step/reactions.smi
new file mode 100644
index 0000000000000000000000000000000000000000..473445b37eefe42e4d6ce6a82754da290fcfd90d
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/single_step/reactions.smi
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:e8ffb9ba9837a6e19f269fefe6bb1b5c2c4b3b097fed783ebd505897572d1cbd
+size 20381108
diff --git a/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step.audit.tsv b/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step.audit.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..d84bcf65b6c246120078cdafe5d7e981fc6077b5
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step.audit.tsv
@@ -0,0 +1 @@
+# reaction_index	original_smiles	source_info	stage	error_type	error_message
diff --git a/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step.errors.tsv b/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step.errors.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..50e3cfe29f655d4cb06cde15b9cfba531777591e
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step.errors.tsv
@@ -0,0 +1 @@
+# original_smiles	source_info	stage	error_type	error_message
diff --git a/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step.manifest.json b/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step.manifest.json
new file mode 100644
index 0000000000000000000000000000000000000000..e78a9c54ec3a020baa68df4b26870a3b54724595
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step.manifest.json
@@ -0,0 +1,11 @@
+{
+  "chython_version": "1.108",
+  "input_sha256": "e8ffb9ba9837a6e19f269fefe6bb1b5c2c4b3b097fed783ebd505897572d1cbd",
+  "policy_compatibility": "requires the exact ordered rule vocabulary used for training",
+  "preserve_stereo": false,
+  "rule_count": 11209,
+  "rules_sha256": "479d34a98d8e670f889f6ee29405a802d432a97bd1a4280d0b9bdd98642d3ac5",
+  "schema": "synplan-rules/2",
+  "source_stereo_file": "single_step.stereo.jsonl",
+  "stereo_schema": 1
+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step.stereo.jsonl b/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step.stereo.jsonl
new file mode 100644
index 0000000000000000000000000000000000000000..a28d5b35717fa9742237fd9124263c530e970a3d
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step.stereo.jsonl
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:a2e8df9a9a7cb0ac15cc8b6a7486d4825d65005d679464799c71c5554a4e79ab
+size 34339740
diff --git a/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step.tsv b/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..069f20beb710c7dd9cab297bef1f3fbc2342e092
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step.tsv
@@ -0,0 +1,11210 @@
+rule_smarts	popularity	reaction_indices
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+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]	735	7309,7937,17455,17569,17894,18395,18401,18404,18405,18406,18409,18411,18417,18424,18426,18439,18440,18441,18447,18448,18450,18453,18456,18482,18485,18486,18490,18491,18522,18524,18559,18560,18570,18573,18577,18595,18596,18597,18598,18599,18601,18603,18604,18607,18609,18618,18619,18620,18621,18625,18630,18631,18632,18633,18636,18637,18639,18641,18642,18644,18654,18657,18658,18679,18682,18692,18696,18704,18708,18710,18720,18721,18724,18727,18728,18729,18730,18732,18733,18738,18750,18751,18755,18756,18757,18769,18779,18781,18789,18802,18806,18807,18810,18816,18822,18830,18831,18836,18843,18844,18849,18852,18862,18865,18868,18870,18871,18873,18878,18885,18889,18896,18898,18899,18900,18902,18903,18938,18948,18949,18950,18957,18959,18970,18971,18972,18975,18983,18984,18996,18997,19005,19008,19010,19014,19019,19023,19026,19028,19036,19037,19038,19048,19049,19054,19056,19057,19058,19070,19072,19073,19074,19075,19078,19079,19080,19084,19085,19086,19095,19096,19097,19098,19102,19105,19108,19109,19110,19112,19113,19115,19118,19120,19121,19122,19123,19126,19127,19131,19132,19134,19138,19146,19148,19149,19150,19153,19156,19193,19199,19200,19203,19207,19209,19210,19215,19216,19217,19219,19221,19226,19227,19229,19230,19231,19232,19233,19238,19239,19240,19241,19243,19244,19247,19250,19252,19253,19254,19255,19257,19260,19262,19263,19265,19267,19268,19270,19271,19273,19276,19279,19282,19283,19286,19290,19291,19292,19295,19296,19298,19299,19300,19301,19305,19308,19311,19314,19316,19318,19321,19325,19327,19328,19332,19334,19337,19338,19341,19342,19346,19348,19357,19358,19360,19361,19366,19370,19374,19379,19382,19383,19385,19392,19394,19395,19396,19399,19400,19403,19404,19409,19420,19425,19430,19433,19435,19437,19439,19449,19450,19456,19457,19462,19473,19480,19483,19484,19485,19486,19489,19490,19491,19493,19494,19495,19496,19497,19498,19499,19501,19502,19505,19506,19513,19516,19517,19521,19522,19525,19528,19530,19533,19536,19540,19543,19544,19550,19551,19556,19557,19560,19562,19564,19569,19570,19571,19574,19578,19580,19581,19583,19590,19591,19592,19594,19595,19596,19602,19603,19607,19608,19609,19612,19744,19747,19748,19749,19754,19755,19757,19759,19769,19773,19776,19778,19782,19784,19789,19795,19796,19797,19804,19808,21394,21805,21807,21813,21815,21819,21826,21828,21850,21855,21863,21877,21882,21897,21899,21901,21903,21904,21908,21910,21919,21921,21958,21959,21985,22014,22016,22024,22029,22030,22055,22060,22062,22063,22064,22068,22069,22070,22072,22074,22087,22090,22093,22095,22108,22109,22115,22124,22127,22131,22148,22151,22152,22155,22157,22165,22176,22181,22185,22190,22201,22203,22207,22208,22209,22210,22212,22214,22216,22248,22257,22259,22264,22269,22270,22272,22284,22285,22295,22301,22304,22326,22341,22346,22347,22348,22350,22351,22352,22361,22367,22369,22372,22376,22378,22380,22383,22388,22390,22391,22395,22396,22397,22433,22440,22449,22450,22452,22458,22462,22475,22479,22482,22488,22490,22492,22494,22496,22543,22546,22552,22554,22555,22556,22560,22578,22585,22594,22596,22597,22598,22610,22621,22622,22624,22625,22627,22628,22629,22630,22634,22671,22673,22674,22675,22676,22678,22679,22681,22687,22696,22698,22708,22709,22713,22714,22716,22718,22720,22721,22722,22723,22725,22726,22727,22729,22731,22734,22737,22740,22741,22742,22744,22746,22747,22748,22749,22750,22752,22753,22759,22763,22765,22766,22769,22775,22779,22790,22791,22793,22797,22799,22802,22804,22809,22811,22812,22816,22817,22819,22824,22825,22829,22831,22832,22834,22837,22838,22839,22840,22841,22865,22866,22867,22870,22871,22872,22874,22876,22877,22880,22881,22883,22884,22885,22888,22890,22893,22895,22896,22898,22899,22900,22901,22912,22913,22914,22917,22921,22923,22924,22925,22926,22933,22934,22935,22936,22944,22951,22970,22971,22972,22977,22979,22981,22987,22991,22993,22995,22996,22999,23000,23005,23006,23007,23010,23011,23013,23014,23018,23019,23020,23021,23022,23026,23027,23028,23031,23032,23034,23039,23040,23042,23048,23055,23056,23057,23058,23063,23065,23077,23078,23083,23087,23095,23100,23101,23102,23103,23104,23105,23106,23108,23111,23115,23116,23117,23119,23120,23121,23125,23127,23130,23144,23147,23148,23151,23155,23158,23161,24835,24897,25763,37209,37257,37384,37500,37535,37541,37832,37842,37953,38128,38150,38509,38609,38708,38942,39004,39032,39464,39545,39566,39581,39742,39750,39795,39829,39847,39865,39869,39884,39973,39984,52137,52304,53059,53861,54534,56241,56242,56301
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:6]-[C:5]	640	2536,2545,2554,2808,2817,2856,2867,3554,3864,4266,4539,4646,4722,4729,4738,4911,5422,5427,5431,5435,5466,5472,5479,5548,5556,5572,5596,5615,5616,5617,5630,5632,5635,5637,5639,5653,5918,6358,6448,6449,6592,6712,7046,7054,7317,7352,7457,7551,7577,7578,7584,7673,7888,7932,8823,8837,8848,8872,8923,8927,8943,8945,8951,9005,9045,9057,9093,9125,9132,9228,9229,9230,9528,9532,9540,9544,9546,9557,9842,9852,9939,9990,10053,10054,10061,10070,10090,10093,10254,10294,10404,10409,10428,10429,10570,10685,10720,10869,10947,10953,11329,11382,11437,11536,11554,11729,11742,11744,11796,11847,11895,11898,12044,12326,12327,12328,12398,12399,12541,12568,12615,13163,13226,13387,13391,13392,13393,13407,13414,13443,13450,13928,13970,13994,14130,15274,15290,15492,15812,16193,16323,16400,17255,17437,17594,17598,17600,17604,17666,17678,17739,17795,18009,18014,18187,18301,18365,18484,18547,18593,18626,18674,18684,18976,19384,19839,19841,19851,19852,19950,20254,20386,20490,20584,20791,21510,21544,22073,22119,22198,22222,22294,22583,22584,22587,22703,22792,23351,23692,23817,23868,23976,23980,23990,24173,24245,24247,24254,25159,25372,25483,25528,25547,25588,25603,25606,25632,25771,25788,25872,25897,25917,26075,26107,26111,26217,26482,26526,26529,26592,26597,26598,26666,26667,26668,26669,26761,26765,26826,26855,26859,26999,27034,27240,27324,27357,27368,27372,27376,27378,27379,27436,27438,27443,27448,28569,28662,29150,29496,29717,30558,30563,30564,30580,30582,30590,30747,30763,30924,30955,31961,32277,32439,32521,33546,33878,34052,34054,34408,34450,34580,34638,35959,36103,36164,36264,36351,36377,36417,36471,36502,36840,37144,37161,37167,37386,37463,37512,37703,37765,37839,37912,37922,37924,38018,38046,38059,38060,38081,38082,38083,38141,38353,38520,38680,38729,38768,38837,38899,38912,38970,38984,39049,39073,39115,39124,39200,39248,39260,39266,39267,39269,39284,39286,39290,39291,39293,39335,39342,39347,39350,39391,39403,39412,39448,39468,39494,39495,39497,39501,39503,39504,39577,39704,39811,39815,39817,39899,39929,39960,40068,40082,40196,41411,41412,41414,41439,41623,41669,43047,43071,43074,43345,43362,43367,43372,43376,43378,43379,43578,44077,44219,44221,44241,44275,44279,44474,44841,44842,44850,44856,44858,45160,45165,45177,45265,45275,45278,45279,45300,45530,45531,45551,45667,45670,45679,45711,45717,45724,45997,46234,46287,46288,46299,46846,47847,48400,48489,48651,49104,49105,49146,49283,49294,49347,49359,49380,49391,49401,49440,49460,49509,49561,49627,49681,49738,49888,49899,49954,49967,50027,50101,50104,50174,50200,50306,50337,50367,50403,50405,50406,50408,50419,50446,50473,50478,50519,50520,50753,51089,51111,51167,51182,51251,51462,51540,51547,51638,51660,51661,51662,51721,51731,51784,51863,51867,51888,52063,52072,52099,52135,52139,52226,52231,52262,52297,52305,52446,52447,52532,52642,52725,52779,52876,52910,52951,52961,53094,53109,53115,53134,53137,53185,53193,53202,53205,53213,53287,53297,53298,53302,53357,53358,53476,53609,53624,53665,53682,53724,53744,53758,53853,53864,53865,54022,54028,54053,54065,54090,54174,54181,54202,54204,54206,54210,54223,54240,54243,54245,54305,54308,54431,54432,54506,54518,54529,54530,54541,54588,54591,54613,54621,54633,54660,54715,54721,54742,54743,54756,54775,54776,54808,54818,54819,54840,54894,54913,54919,54925,54963,54970,54975,55038,55078,55079,55105,55219,55220,55227,55228,55249,55250,55263,55266,55269,55282,55292,55298,55315,55318,55321,55370,55396,55412,55421,55433,55435,55436,55437,55446,55764,55799,55831,55833,55893,55900,55908,55910,55924,55969,56013,56061,56076,56105,56147,56159,56161,56170,56176,56177,56207,56220,56224,56225,56233,56252,56318,56339,56420,56467,56507,56578,56741,56852,56878,56908,56944,56950,56958,56964,56980,56981,57088,57096,57112,57154,57221,57292,57293,57345
+[O:1]=[C:2](-[C:3])-[O:4]>>[O:1]=[C:2](-[C:3])-[O:4]-[C:5]	549	1208,1468,1906,2515,2560,2561,2767,2783,2874,3536,3933,4093,4136,4198,4200,5114,5686,5693,5710,6199,6285,6895,6897,7106,7162,7174,7272,7326,7346,7448,7597,7601,7695,7897,7940,7951,8036,8887,8909,8940,8987,8994,9004,9009,9116,9217,9220,9221,9259,9282,9303,9305,9395,9510,9826,9942,10058,10149,10208,10423,10490,11071,11083,11306,11469,11480,11489,11661,11713,11715,11716,11717,11722,11728,11813,12051,12053,12059,12076,12093,12124,12127,12128,12229,12234,12276,12295,12378,12659,12856,12976,13167,13284,13297,13380,13383,13384,13436,13502,13586,13600,13606,13944,14071,14298,15359,15487,15501,15865,15998,16016,17190,17193,17194,17209,17450,17467,17489,17656,17727,17741,18049,18243,18247,18249,18272,18371,18480,18543,18568,18589,18614,18747,18817,18821,19041,19043,19055,19284,19289,19364,19406,19854,19857,19870,19885,19895,19909,19911,20028,20053,20125,20153,20175,20212,20357,20373,20397,20673,20705,21400,21526,21581,21616,21843,21956,21965,21995,22037,22133,22140,22221,22254,22293,22296,22298,22463,23186,23213,23217,23227,23242,23353,23356,23444,23445,23486,23586,23732,23759,23777,23780,23969,24030,24299,24666,24724,24737,24757,25321,25330,25522,25680,25792,25831,25842,25844,25879,26174,26191,26407,26425,26480,26523,26596,26614,26637,26638,26644,26843,27518,27523,27599,27688,27689,27947,27956,27979,28330,28619,28703,29537,29731,29837,29996,31345,33245,33271,33448,33474,33504,33513,34367,34453,34502,34510,34745,36160,36161,36284,36375,36415,36426,36490,36491,36496,36766,36767,36844,37152,37430,37560,37630,37754,37816,37977,38016,38099,38104,38126,38157,38376,38392,38467,38522,38776,38834,38968,38997,39083,39165,39188,39245,39309,39314,39346,39364,39502,39522,39570,39583,39655,39729,39730,39731,39807,39881,39937,40061,40120,40193,40206,40272,41608,42811,43034,43040,43043,43067,43470,43601,43662,44204,44321,44728,44862,44865,45154,45295,45296,45306,45312,45637,45708,45730,45972,46009,46027,46065,46177,47856,48247,48340,48588,48589,48838,48942,49039,49134,49183,49195,49304,49323,49331,49337,49419,49512,49546,49640,49751,49774,49775,49840,49843,49875,49892,49927,49992,50031,50099,50103,50189,50218,50296,50349,50392,50423,50440,50471,50506,50511,50512,50619,50717,50884,50916,51284,51296,51386,51395,51439,51608,51626,51694,51734,51739,51783,51806,51819,51834,51835,51841,51977,51986,52055,52143,52207,52261,52284,52335,52467,52612,52641,52748,52786,52861,52969,52975,53103,53111,53146,53147,53172,53199,53204,53220,53225,53230,53232,53233,53239,53247,53277,53346,53391,53432,53439,53482,53563,53612,53680,53681,53698,53726,53730,53771,53778,53885,54009,54051,54064,54098,54172,54238,54254,54353,54371,54413,54447,54454,54514,54516,54536,54537,54574,54585,54601,54630,54653,54654,54689,54690,54755,54816,54843,54920,54952,54954,54965,54967,54971,54987,55002,55011,55082,55090,55095,55099,55108,55122,55131,55217,55230,55237,55240,55248,55261,55270,55272,55297,55320,55342,55343,55394,55400,55428,55570,55574,55647,55651,55735,55762,55793,55798,55828,55886,55913,55927,55931,55949,55970,55985,55990,56015,56059,56215,56222,56234,56235,56247,56291,56296,56320,56418,56437,56514,56521,56524,56623,56631,56700,56902,56907,56933,56994,57067,57091,57092,57122,57137,57149,57151,57192,57213,57223,57240,57244,57310,57349
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:3]	541	1085,1884,1908,2120,2535,2830,2857,3035,3334,3424,3531,3550,3942,4084,4114,4169,4271,4300,4662,4730,5053,5449,5562,5921,6142,6179,6187,6256,6268,6440,6972,7295,7351,7413,7490,7571,9040,9907,9928,10364,10481,10672,10722,11141,11172,11186,11289,11433,11434,11550,11569,11697,11735,11901,11973,12201,12418,12445,12592,12840,12857,12910,13159,13249,13300,13535,13555,13638,13641,13775,13804,13980,14108,14164,14235,14290,14338,14353,14354,14388,14435,14520,14553,14600,15860,15898,16224,16352,16364,16398,16418,17126,17186,17484,17624,17733,19537,20078,24450,25396,25459,25546,25579,25650,25853,26277,26286,26403,26705,26706,26871,26884,26898,26982,26985,27025,27055,27088,27615,27618,27630,27704,27708,27709,27756,27811,27848,27867,28542,28562,28565,28597,28630,28672,28673,28680,28683,28736,28751,28752,28767,28779,28819,28842,29457,29480,29780,32368,32410,32481,33304,33313,33346,33372,33419,33436,33437,33453,33454,33457,33475,33492,33499,33507,33514,33517,33547,33549,33576,34277,34320,34351,34596,34619,34678,34742,34928,36009,36078,36188,36195,36203,36207,36227,36347,36365,36366,36396,36457,36782,36900,37219,37221,37283,37378,37387,37487,37506,37522,37553,37573,37574,37583,37639,37657,37775,37778,37783,37833,37854,37958,37985,38121,38122,38447,38487,38495,38625,38635,38790,38923,38957,39057,39096,39117,39191,39345,39642,39658,39819,39859,39875,39954,39955,40063,40257,40301,40331,40342,41369,41567,41589,42099,42488,42505,42593,42866,43247,43263,43265,43299,43608,44074,44322,44460,44632,44640,44702,44709,44719,44724,44731,44751,44752,44760,44761,44846,45164,45380,45528,45545,45573,45592,45668,45669,45716,45917,45944,46016,46043,46152,46170,46276,46307,47355,47771,48249,48372,48385,48402,48438,48440,48531,48574,48650,48652,48656,48702,48768,48789,48818,48819,48918,48988,49011,49068,49106,49141,49144,49192,49238,49249,49270,49346,49405,49477,49494,49526,49539,49618,49649,49676,49677,49687,49844,49873,49956,49962,50054,50161,50168,50332,50336,50393,50412,50416,50422,50541,50543,50544,50545,50593,50601,50631,50711,50713,50715,50737,50745,50746,50755,50758,50759,50765,50772,50831,50843,50870,50888,50900,50905,50906,50909,50920,51075,51210,51229,51354,51384,51404,51405,51419,51429,51441,51454,51486,51497,51528,51555,51558,51659,51692,51699,51708,51713,51717,51720,51727,51763,51771,51776,51778,51847,51870,51930,52188,52197,52200,52201,52275,52461,52469,52784,52785,52810,52814,52862,52870,52967,52998,53106,53117,53122,53152,53153,53155,53157,53158,53167,53170,53186,53192,53217,53221,53253,53283,53356,53371,53374,53378,53390,53661,53663,53666,53729,53735,53763,53832,53847,53852,53867,53877,53971,54050,54169,54212,54213,54232,54265,54267,54456,54463,54467,54471,54483,54539,54590,54594,54846,54895,54969,55023,55092,55094,55097,55098,55103,55104,55106,55111,55112,55114,55117,55124,55137,55138,55143,55180,55181,55183,55192,55195,55196,55205,55209,55213,55214,55242,55324,55353,55373,55413,55449,55596,55599,55605,55607,55654,55660,55662,55677,55682,55788,55795,55796,55797,55801,55854,55875,55914,55916,55923,55946,55971,56016,56033,56075,56163,56165,56676,56889,56903,56906,56910,56914,56916,56936,56943,57009,57010,57078,57093,57106,57130,57245,57271,57281,57314,57351,57361,57372
+[O:1]=[C:2]-[O:3]>>[O:1]=[C:2]-[O:3]-[C:5]-[C:4]	532	1872,1874,3215,3221,3225,3226,3230,3235,3236,3242,3246,3259,3273,3275,3277,3279,3316,3325,3327,3330,3336,3337,3338,3339,3351,3352,3355,3374,3375,3377,3378,3379,3386,3391,3398,3399,3402,3405,3406,3413,3415,3429,3442,4132,4272,4290,5011,5042,5061,5345,5799,6155,6408,6474,6481,7204,7327,7444,7676,7846,8838,9026,9032,9098,9451,10130,10202,10228,10270,10276,10292,10393,10541,10886,10893,11189,11197,11282,11413,11448,11808,11935,12071,12513,12559,12562,12884,13182,13189,13190,13492,13608,13947,14244,14305,14306,14464,14483,15495,15496,15789,15830,15871,15988,16060,16094,16140,16412,17150,17312,17324,17470,17525,17526,17644,17906,18073,18376,18437,18825,18901,19083,19130,19563,19781,19802,20111,20188,20313,20431,20582,20587,20862,20873,20875,22079,22424,22978,23069,23332,23498,23959,24207,24307,25027,25364,25548,25553,25578,25584,25644,25670,25733,25758,25814,25815,26281,26385,26773,26874,26896,27043,27083,27113,27128,27270,27286,27290,27413,27439,27467,27570,27572,27620,27830,27892,28589,28598,28620,28707,28722,28727,28845,28859,28860,28870,29334,29404,30831,30832,30838,30852,30858,30871,30872,31096,31097,31101,31102,31129,31138,31143,31147,31150,31151,31163,31243,31337,32477,32522,33391,34035,34039,34216,34245,34287,34387,34397,34476,34534,34608,34633,34699,34705,34706,34733,36229,36238,36239,36323,36332,36395,36515,36519,36524,36754,36774,36852,37094,37159,37186,37595,37664,37716,37759,37774,37784,37825,37849,37896,38022,38042,38400,38534,38622,38629,38658,38669,38705,39061,39107,39141,39159,39338,39344,39431,39508,39530,39645,39735,39760,39855,39862,39889,39913,39916,39976,40066,40073,40080,40091,40144,40152,40192,40364,40380,40381,40382,40385,40608,41366,41598,41974,43082,43083,43278,43300,43452,43469,43609,43850,44107,45176,45293,45298,45363,45409,45719,46052,46212,46214,46217,46220,46272,46273,47796,47840,48206,48225,48274,48275,48412,48521,48593,48797,48976,48982,49222,49296,49395,49430,49497,49499,49597,49650,49670,49747,49847,49906,49940,50008,50130,50198,50308,50407,50411,50457,50583,50587,50852,50907,50966,51107,51122,51140,51160,51162,51206,51237,51326,51401,51443,51445,51499,51556,51571,51572,51575,51577,51578,51610,51629,51740,51775,51832,51837,51849,51851,51852,51874,51884,52142,52214,52534,52699,52722,52729,52752,52799,52820,52904,52979,53017,53107,53124,53128,53129,53138,53149,53164,53171,53177,53223,53241,53260,53269,53270,53308,53320,53326,53327,53336,53355,53389,53396,53397,53400,53430,53513,53514,53518,53522,53559,53651,53653,53772,53835,53836,53837,53838,53839,53840,53842,53970,54055,54087,54309,54310,54344,54359,54368,54487,54494,54501,54507,54515,54570,54578,54607,54611,54619,54651,54662,54664,54679,54687,54688,54767,54771,54772,54779,54784,54842,54924,54978,54979,54991,55003,55006,55018,55189,55200,55252,55262,55287,55294,55302,55314,55339,55345,55395,55562,55580,55661,55674,55704,55872,55920,55932,55938,55952,55953,55974,55976,56030,56158,56254,56255,56257,56263,56319,56399,56559,56599,56607,56798,56847,56851,56899,56918,56934,56968,56988,56989,57065,57070,57101,57113,57136,57169,57171,57179,57197,57222,57234,57235,57239,57254,57283,57313,57364,57366
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6].[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:7]	436	1226,2188,2557,3843,3920,4026,4133,4259,4631,5133,5135,5148,5290,5343,5379,5451,5592,5641,5691,5705,5901,6062,6371,6663,6835,7061,7175,7244,7323,7414,7488,7737,7961,7989,7990,7999,8059,8862,8983,8989,8992,9000,9035,9273,9290,9341,9372,9374,9459,9471,9504,9522,9531,9819,9832,10099,10189,10281,10567,11149,11474,11484,11854,12056,12072,12416,12583,12896,12998,13474,13478,13479,13579,15266,15323,15329,15386,15994,16139,16141,16142,16171,16393,17479,18017,18034,18493,18611,18645,18725,18771,18793,18796,18797,18800,18833,18841,18851,18858,18869,18904,18960,18965,18973,19162,19269,19303,19460,19481,19871,20014,20054,20074,20107,20141,20151,20162,20269,20438,20475,20484,20769,20842,20850,21588,21728,21761,21771,21864,21867,21924,21957,22041,22088,22246,22250,22258,22276,22291,22325,22469,22604,22807,22938,22943,23054,23070,23072,23149,23363,23367,23405,23407,23409,23438,23490,23536,23558,23566,23575,23576,23643,23719,23751,23846,23925,23954,24210,24364,24459,24715,24742,24801,24815,24848,24849,24881,24885,24887,24922,24998,25581,25633,25889,25891,25921,25922,25941,26204,26418,27033,27303,27394,27527,27647,27750,27810,29191,29359,29376,29379,29452,29747,29797,30933,33244,34073,34223,34275,34393,34401,34514,34586,34661,34687,35939,36252,36266,36810,36841,37427,37441,37455,37473,37579,37771,37913,37927,38026,38076,38078,38411,38566,38567,38664,38684,38767,38835,38996,39055,39169,39180,39241,39251,39252,39549,39633,39649,39707,39718,39721,39792,39965,39987,40030,41348,41425,43065,43888,44076,44101,44464,44868,44875,44876,44877,44878,44881,44883,44885,44886,44887,44888,44889,44890,44891,44893,44894,44895,44896,44900,44902,44904,44905,44906,44907,44908,44909,44911,44912,44913,44915,44916,44918,44919,44920,44921,44922,44923,44924,44925,44926,44927,44928,44930,44932,44933,44934,44935,44941,44943,44945,44948,44949,44950,44952,44954,44957,44958,44960,44961,44963,44967,44968,44969,44970,44971,44973,44974,44976,44978,44979,44980,44981,44982,44983,44984,44985,44988,44992,44993,44994,44997,44998,44999,45000,45002,45003,45004,45005,45007,45008,45009,45010,45014,45015,45017,45019,45020,45021,45022,45025,45026,45027,45028,45029,45030,45031,45033,45034,45035,45036,45037,45038,45039,45040,45041,45042,45043,45044,45045,45053,45054,45057,45058,45063,45064,45065,45066,45067,45068,45069,45071,45074,45075,45076,45077,45078,45080,45084,45088,45095,45096,45097,45098,45099,45101,45102,45103,45104,45105,45106,45107,45109,45111,45112,45113,45114,45115,45118,45119,45120,45122,45124,45125,45126,45127,45134,45136,45138,45139,45140,45141,45142,45143,45144
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:5].[c:1]-[O:2]	378	723,732,733,734,737,741,743,744,748,750,753,754,756,757,758,759,761,762,764,766,768,770,773,774,776,780,781,782,785,790,791,792,794,795,799,800,801,802,803,804,805,807,808,809,810,811,812,826,827,828,831,832,835,845,848,849,850,852,861,867,868,873,877,878,889,1227,1875,2085,2092,2093,2097,2100,2101,2106,2107,2108,2113,2116,2122,2191,2195,2523,2524,2543,2547,2834,2960,3282,3540,3704,3705,3706,3710,3711,3712,3714,3715,3716,3719,3728,3731,3732,3734,3735,3736,3737,3739,3747,3750,3757,3764,3767,3772,3773,3774,3779,3780,3781,3782,3826,3886,3888,3889,3902,3904,3921,4051,4058,4059,4061,4064,4065,4066,4075,4076,4078,4099,4101,4104,4110,4160,4826,4833,4836,4840,4845,4846,4848,4850,4851,4852,4854,4856,4858,4859,4860,4861,4863,4864,4865,4866,4867,4868,4869,4870,5159,5160,5162,5164,5166,5174,5179,5181,5204,5205,5557,5563,5564,5578,5579,5580,5582,5588,5667,5670,5673,5674,5675,5677,5747,5750,5751,5753,5754,5758,5759,5760,5761,5762,5764,5765,5766,5768,5769,5770,5771,5772,5773,5776,5782,5783,5784,5785,5786,5925,5953,6042,6128,6129,6130,6133,6135,6169,6170,6307,6446,6464,6822,6857,6858,7505,7538,7738,8930,8978,9120,9287,10339,10764,10770,10771,10772,10780,10781,10782,10784,10788,10789,10792,10793,11136,11734,12811,13255,14268,16181,16254,16255,16256,16259,16260,16261,16262,16263,16268,18039,18231,18232,18998,19034,19970,20470,20471,20494,20567,21716,22122,23317,23346,23696,23823,23824,24331,24909,24912,24914,24915,24916,24948,24950,25436,25944,26564,26565,26567,26568,26569,26571,26574,26676,26984,27371,27972,29235,29478,29619,29620,29621,29624,29626,29627,29783,29810,29811,29812,29819,29821,29848,29849,29852,30240,30962,30965,30966,30968,30970,30971,30973,30975,30977,33500,34358,36201,36384,37823,37946,39537,41299,41300,43134,43135,43482,43483,43640,43641,43642,43643,43646,43647,43649,43651,43652,43654,43655,43900,44713,45975,46015,47346,47360,47362,48195,48558,48856,48940,49392,49654,49658,49659,50066,50067,50071,50072,50705,52265,53540,54183,54200
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]	362	1225,1337,1537,1596,1597,1620,1702,1736,2469,2480,2498,2503,2825,2896,2942,2943,3067,3317,3913,3916,3946,3948,3952,3954,4199,4224,4261,4264,4361,4370,4379,4380,4384,4389,4390,4402,4441,4462,4473,4499,4571,4628,4682,5005,5036,5104,6319,6390,6439,6451,6477,6484,6489,6495,6687,6694,6975,7113,7172,7271,7305,7306,7349,7440,7462,7699,7736,7747,7774,7775,7776,8813,8815,8871,8889,9085,9185,9206,9210,9214,9247,9255,9319,9342,9348,9431,9474,9492,9512,9526,9931,9973,10019,10032,10096,10211,10212,10213,10345,10370,10371,10372,10373,10374,10375,10376,10377,10378,10380,10456,10712,10996,11020,11049,11054,11061,11574,11623,11625,11883,12089,12167,12297,12299,12315,12386,12402,12423,12427,12453,12459,12467,13177,13378,13449,13945,13946,14643,15780,15814,16085,16155,16368,16370,16810,17117,17119,17123,17448,17648,17665,17763,17780,17788,18245,18300,18466,18552,18591,18648,18689,18754,18760,18761,18937,19046,19423,19894,19900,19962,20004,20333,20372,20396,20519,20604,20701,21621,21630,21657,21803,21880,22027,22054,22175,22561,22573,22576,22582,22658,22659,23046,23209,23255,23311,23380,23392,23393,23414,23489,23503,23504,23573,23739,23745,23748,23897,23930,23967,23989,24676,25121,25601,25829,25905,25986,25989,26002,26393,26440,26481,26498,26595,26606,26609,26610,26613,26628,26650,26651,26663,26688,26742,26774,26822,26888,26972,26974,26977,27499,27612,27843,27948,27978,29310,29692,29874,29897,29971,29980,29987,30132,30163,30195,30211,30216,30258,30273,32252,32331,32335,32526,34660,36170,36171,36461,36814,37148,37149,37644,37678,37679,37959,38101,38130,38158,38169,38536,38761,38785,39262,39454,39474,39759,39900,39930,40195,40329,41281,41289,41290,41292,41765,41789,41848,41869,41875,41890,41909,41922,41927,41949,41992,42094,42100,42128,42862,43471,43777,43905,44152,44166,44183,44184,45390,45603,45608,46838,46847,46863,46882,48282,48311,48374,48523,49276,49862,49968,50238,50245,50290,50733,50940,51280,51526,51532,51845,52060,52075,52192,52199,52239,52259,52318,52354,52549,53030,53617,54012,54217,54331,54332,54562,54709,54810,55185,55223,55225,55232,56274,56276,56416
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:7].[C:1]-[N:2]-[C:6]	335	635,1295,1733,3103,3106,3115,3123,3131,3133,3135,3140,3805,3963,4019,4072,4637,4734,5022,5028,5076,5084,5097,5102,5129,5470,5593,5875,5973,6123,6148,6185,6257,6274,6287,6423,6453,6652,6988,6996,7000,7087,7284,7534,7555,7630,7646,7651,7706,7712,7790,7804,7826,7829,7873,7979,7980,8905,8956,9020,9023,9075,9111,9114,9215,9248,9249,9584,9587,9588,9592,9661,9664,9673,9682,9683,9688,9695,9706,9768,9772,9799,10033,10055,10078,10079,10089,10252,10253,10293,10343,10395,10396,10460,10461,10543,10635,10710,10711,10713,10809,10812,11499,11583,11601,11743,12068,12357,12417,12553,12637,12677,12678,12680,12685,12694,12711,12750,12755,12768,12889,12918,12994,13011,13012,13020,13028,13030,13031,13034,13036,13037,13039,13298,13375,13376,13377,13410,13441,13470,13544,13613,13654,13691,13727,13736,13759,13761,13764,13777,13787,13796,13815,13849,13864,13873,13874,13899,13900,13905,13968,14075,14364,14580,14730,14732,14802,14832,14833,14840,14841,14848,14853,14855,14884,14896,14897,14899,14909,14917,14948,14954,14957,14965,14966,14967,14995,15083,15087,15090,15158,15159,15169,15171,15183,15213,15221,15239,15541,15544,15551,15557,15587,15608,15612,15693,15700,15707,15754,15763,15997,16126,16210,16218,16385,17130,17183,17521,17829,17830,18479,18681,18685,18731,18932,19613,19649,19678,19697,19717,20043,20046,20195,20196,20446,20609,21801,21842,21955,22032,22251,22287,22568,22569,22570,23045,23203,23236,23254,23265,23269,23448,23454,23650,23655,23693,23742,23743,23744,23750,23847,24006,24047,25636,25653,25654,25764,25765,26485,26698,26886,29570,29832,30939,31012,31954,31965,32253,32254,32256,32490,32511,32574,32577,32636,32652,32677,32682,32684,32693,32701,32704,34348,36260,36283,36343,38484,38598,39490,40159,40160,40173,40260,41282,41283,41284,41285,41286,41291,41293,41458,41486,41691,44864,45187,46112,48220,48384,49070,50441,50447,51184,52007,52144,52176,52183,52184,52252,52430,52432,53705,54205,54383,54569,54710,54724
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[Br:7].[c:1]:[c:2](:[c:6])-[B:9](-[O:8])-[O:10]	324	1077,1110,3080,3335,3360,4098,6385,6424,7350,8779,9062,9448,10244,10394,10488,10498,10708,10735,11139,11897,12325,12827,13288,13305,13490,13620,13622,14042,14046,14140,14436,14437,15931,16154,16324,16813,17157,17245,17885,17886,18223,18468,18471,18476,18502,18515,19194,19272,19538,19566,19799,20038,20237,20530,20560,20599,22814,22973,22974,22975,22976,23522,23779,24282,25211,25339,25343,25519,25520,25535,25562,25564,25565,25566,25693,25847,26192,26416,26521,26656,26660,26752,27416,28658,28837,29497,30224,30555,31895,32396,33334,33358,33494,34353,34357,34370,34505,34521,34728,35926,37652,37659,37918,37923,37994,38068,38069,38070,38071,38374,38504,38937,39193,39194,39195,39320,39368,39371,39376,39378,39379,39380,39381,39382,39383,39587,39610,39612,39613,39614,39739,39740,39741,39971,41363,41649,42550,42552,42554,42661,43015,43587,44282,44613,44633,44689,44700,44735,44799,44852,45259,45374,46154,46399,46401,46403,46404,46405,46406,46409,46410,46413,46415,46423,46427,46440,46443,46448,46450,46456,46457,46458,46460,46462,46463,46464,46467,46473,46476,46477,46478,46492,46493,46498,46502,46505,46507,46508,46509,46510,46511,46512,46516,46522,46528,46529,46530,46531,46533,46538,46541,46542,46543,46544,46546,46547,46551,46554,46555,46562,46564,46566,46567,46568,46572,46587,46588,46598,46602,46607,46609,46621,46625,46627,46628,46630,46632,46633,46634,46635,46636,46637,46638,46641,46642,46643,46645,46646,46648,46651,46658,46659,46660,46663,46664,46666,46671,46673,46677,46681,46682,46684,46689,46690,46707,46708,46712,46717,46724,46725,46729,47812,48223,48231,48240,48241,48306,48450,48625,48772,49246,49253,49329,49342,49414,49415,49550,49594,49602,49612,49639,49652,49655,50035,50116,50226,50342,50399,50487,50524,50580,50684,50865,50923,50973,50979,51014,51039,51053,51080,51083,51137,51138,51141,51155,51217,51893,51894,51895,51899,51903,52013,52695,53407,53408,53414,53418,53426,53436,53496,53498,53785,54108,54109
+[C:1]-[N:2]>>[C:1]-[N:2]-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]	316	11584,17510,19889,19924,19925,19929,19930,19935,19940,19942,19946,19953,19955,19971,19987,19989,19990,19993,20007,20010,20011,20017,20024,20033,20040,20060,20069,20072,20077,20081,20083,20084,20085,20086,20087,20094,20101,20106,20109,20112,20113,20114,20117,20118,20127,20130,20143,20154,20157,20158,20159,20160,20161,20178,20184,20185,20187,20190,20193,20194,20205,20206,20210,20211,20213,20216,20219,20220,20222,20229,20230,20231,20232,20242,20246,20249,20260,20261,20262,20265,20266,20267,20270,20272,20273,20275,20278,20279,20282,20283,20284,20288,20289,20291,20292,20293,20294,20295,20296,20298,20299,20300,20301,20302,20303,20304,20305,20307,20308,20309,20310,20311,20332,20335,20341,20342,20343,20346,20348,20350,20352,20362,20363,20365,20376,20377,20382,20387,20392,20410,20414,20415,20423,20435,20437,20443,20451,20459,20460,20462,20464,20465,20476,20482,20486,20493,20503,20504,20505,20508,20517,20518,20522,20526,20527,20528,20531,20548,20552,20553,20555,20558,20561,20565,20566,20570,20571,20572,20573,20574,20577,20583,20589,20590,20592,20593,20597,20601,20603,20608,20611,20612,20615,20616,20619,20622,23225,23229,23271,23275,23281,23297,23298,23316,23326,23327,23329,23331,23333,23347,23383,23396,23399,23400,23419,23420,23432,23440,23460,23462,23465,23466,23469,23477,23479,23494,23559,23562,23578,23580,23581,23592,23593,23597,23604,23606,23607,23636,23638,23640,23641,23644,23663,23668,23669,23672,23675,23677,23678,23682,23685,23690,23691,23697,23713,23715,23738,23781,23786,23787,23791,23795,23802,23804,23826,23833,23837,23842,23843,23844,23848,23850,23852,23860,23864,23865,23876,23878,23879,23880,23881,23900,23901,23902,23903,23904,23909,23913,23921,23927,23928,23929,23932,23939,23941,23945,23951,23952,23953,23957,23958,23960,23963,23973,23974,23981,23987,23994,23995,23996,24003,24007,37260,37497,37986,38371,38391,38607,38873,39076,39646,39732,39878,52081,52140,56098
+[n:1]:[c:2]:[c:3]-[N:4]>>[n:1]:[c:2]:[c:3]-[N+:4](=[O:5])-[O-:6]	289	1091,1216,1221,3033,3255,3304,3384,3388,3867,4739,5340,5916,7058,8899,9054,9301,9480,10052,10064,10105,10230,10231,10233,10238,10562,11357,12612,12795,12803,12880,12956,13201,13435,13438,13982,14156,14304,14309,14315,14519,15303,15311,15388,15469,15875,15897,15918,15948,16146,17163,17164,18454,18838,19081,19152,19155,19454,20122,20123,20214,20337,20347,20349,20703,21749,21895,22033,22058,22487,22623,22692,22730,23292,23611,23803,23853,23857,23916,23919,23922,24026,24083,24089,24255,24719,24738,24843,24844,24973,25017,25058,25375,26030,26053,26201,26878,27042,27075,27116,27118,27278,27447,28833,29324,29935,30294,30296,30882,31000,31153,32373,32408,32420,32469,33247,34266,34267,34362,34390,34663,34671,34740,36275,36398,36453,36513,36761,36786,37287,37748,37751,37869,37966,37969,38034,38490,38595,38846,38884,39111,39675,39683,39784,39827,39830,39850,39897,40028,40158,40394,40395,40594,41336,41388,41389,41390,41970,41972,42435,42500,42574,42640,42815,42816,43072,43338,43339,43436,43553,43619,43622,43791,45166,45961,46321,47798,47805,47807,47831,48212,48319,48331,48379,48383,48529,48559,48647,48648,48649,48735,48812,48867,48891,48892,48967,49007,49017,49075,49116,49206,49216,49223,49313,49485,49529,49608,49744,49745,49804,49810,49883,49948,49964,49983,50007,50021,50051,50137,50272,50425,50469,50559,50934,51422,51476,51607,51690,51707,51773,51820,51881,51999,52742,52962,52963,52964,52965,53384,53558,53570,53684,53814,53887,54303,54349,54384,54604,54648,54655,54693,54729,54995,55160,55485,55600,55615,55669,55680,55787,55845,55859,56036,56180,56312,56361,56374,56407,56456,56652,56762,56871,56883,56892,56947,56959,56969,56976,57039,57058,57076,57107,57108,57109,57153,57186,57229,57231,57279,57334
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]	286	1498,1910,2769,2895,3069,3854,3949,4365,4392,4393,4394,4395,4396,4398,4400,4419,4445,4452,4454,4496,4497,4498,4573,4971,4972,5088,6050,6051,6253,6281,6324,6325,6346,6373,6383,6470,6479,6497,6501,6562,6570,6571,6572,6577,6581,6637,6644,6678,6690,7167,7270,7334,7754,7755,7870,7895,7896,7902,7903,7944,8780,8836,8939,9411,9419,9547,9811,9873,10114,10124,10268,10308,10453,10522,10538,10688,10689,10832,10833,10849,10989,10998,11005,11032,11039,11041,11043,11046,11055,11591,11627,11750,11945,12207,12373,12374,12428,12434,12435,12444,12616,12954,13187,13505,13506,13510,13530,13604,14003,14053,14083,14178,14206,14372,14374,14376,14403,14409,14412,14642,15442,15463,15467,15473,16018,16051,16336,16504,17597,17670,17708,17882,18037,19117,19208,19768,20092,20172,20235,20238,20381,20384,21814,21933,22076,22237,22635,22642,22937,23107,23325,23757,23778,23783,23986,24133,25286,25903,25990,26001,26005,26015,26431,26621,26962,27035,27316,27327,27407,27849,27856,27877,27889,28817,29313,29402,29505,29506,29718,29726,29890,30152,30174,30181,30187,30188,30274,30275,30620,30991,30992,33318,33560,33732,34313,34454,36055,36132,36748,36749,36906,37051,37433,37462,37546,37714,37802,37803,37837,37860,38657,38876,38896,39151,39413,39450,39475,39477,39876,40177,40307,41456,41762,41775,41776,41818,41834,41859,41865,41868,41876,41881,41892,41910,41939,42006,42013,42014,42504,42594,43044,43292,43342,44191,44194,44195,45391,45577,45710,48131,48134,48166,48290,48337,48673,48760,48847,48989,49107,49168,49309,49360,49536,49766,49767,50018,50202,50247,50375,50452,50557,51085,51183,51338,51492,51592,51850,52389,53180,53229,53307,53632,54280,55404,55933,56217
+[N:1]-[C:2]-[C:3]>>[N:1]-[C:2](-[C:3])=[O:4]	274	2098,3031,3296,3932,4097,4122,4139,4665,4999,5198,5642,6757,6790,7002,7039,7065,7124,7151,7214,7368,7399,7589,7671,7843,7878,7885,8954,9112,9243,9412,9477,9627,9825,9855,9856,9970,9981,10015,10088,10199,10637,10673,11494,11578,11981,11985,12141,12582,12586,12587,12788,12792,12794,12804,12805,12816,12817,12949,13198,13289,13291,13296,13408,13494,13570,13571,13793,13967,14112,14147,14176,14326,14327,14328,14645,14991,15139,15268,15335,15336,15353,15409,16063,16347,16808,17221,17403,18012,18025,18629,19197,20108,21868,21869,21878,21948,21949,22544,23074,23239,23244,23401,24789,24891,24942,25158,25531,25828,26171,26464,26534,26769,27089,27923,27929,28587,28712,28875,29396,29443,29444,29526,29529,29749,30222,30272,31881,31884,31887,31909,31910,31921,32359,32366,33531,33623,34459,37117,37150,37743,37772,37811,37838,37889,37893,38005,38031,38106,38672,39488,40012,40169,40170,40613,41603,41671,42472,42730,43296,43698,43893,43894,43895,43906,45591,45602,46174,46180,46181,48368,48416,49493,49519,49851,49852,50250,50343,50687,50729,51221,51222,51287,51288,51317,51341,51359,51551,51621,52009,52138,52151,52181,52196,52237,52244,52276,52300,52306,52314,52315,52317,52323,52326,52327,52329,52332,52338,52340,52347,52352,52379,52417,52702,53394,53455,53492,53727,53862,53918,54005,54013,54046,54182,54190,54221,54234,54251,54348,54350,54378,54556,54723,54839,54858,54908,54944,54947,55014,55062,55067,55659,55667,55832,55860,55925,56027,56101,56125,56130,56136,56219,56226,56228,56317,56321,56328,56333,56338,56353,56356,56372,56375,56390,56391,56410,56430,56511,56548,56592,56713,56803,56920,56929,57335
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:7]-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:9]:[c:8]:1	270	2879,5121,7497,7546,8853,8855,9888,10439,10496,11833,12978,14329,15973,17379,17425,17488,17612,17844,17847,18305,18352,18362,18778,19090,19549,19801,19820,19898,20148,20351,20418,20457,20578,20596,21429,21503,22343,22374,22843,22856,23052,23320,23360,23813,23948,24346,24400,24794,24847,25345,25683,25709,26033,26034,27356,27568,27835,28716,29793,33933,36189,37597,37725,37947,37952,37989,38651,38833,39025,39210,39216,39258,39400,39908,39988,40351,40363,43716,45309,45369,45931,46089,49389,51785,51876,52255,52308,52652,52653,52660,52661,52662,52663,52670,52672,52673,52675,52683,52684,52691,52692,52697,52701,52703,52704,52710,52712,52713,52715,52717,52718,52720,52726,52727,52731,52732,52733,52734,52736,52738,52743,52744,52747,52749,52753,52754,52755,52756,52760,52792,52879,52913,53174,53246,53273,53295,53299,53385,53562,53710,53723,54275,54277,54450,54478,54479,54614,54685,54809,54848,54926,55070,55096,55182,55300,55301,55304,55305,55306,55307,55309,55310,55312,55313,55346,55367,55369,55374,55463,56259,56260,56618,56622,56628,56629,56633,56640,56648,56651,56653,56654,56657,56658,56662,56666,56669,56670,56672,56677,56679,56681,56683,56684,56686,56687,56688,56690,56701,56714,56715,56718,56722,56723,56724,56725,56726,56729,56730,56735,56736,56738,56739,56743,56753,56754,56756,56757,56758,56759,56761,56763,56766,56767,56768,56773,56778,56780,56784,56785,56789,56790,56792,56795,56796,56797,56799,56802,56804,56806,56807,56808,56810,56812,56813,56818,56820,56823,56824,56826,56828,56830,56837,56840,56841,56843,56844,56845,56846,56848,56849,56853,56854,56856,56857,56859,56863,56868,56913,57017,57126
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1]:[c:2](:[c:3])-[Br:7].[O:4]-[B:5](-[O:6])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16]	234	1508,1531,3072,4096,5977,7470,9072,9468,9521,10075,10355,10487,10634,10638,10697,10930,10940,11232,11309,11350,11361,11961,11964,11966,12644,12834,13132,13362,13500,13996,14165,14191,14453,15506,15921,16275,17162,17580,18575,25382,25445,25859,26054,26055,26115,26131,26875,27091,27645,27904,27990,27992,27993,27996,27997,27998,27999,28001,28006,28008,28009,28010,28012,28013,28015,28016,28018,28020,28021,28024,28047,28048,28051,28052,28053,28056,28061,28063,28064,28065,28066,28067,28068,28069,28070,28071,28072,28073,28074,28075,28076,28078,28079,28081,28083,28084,28086,28089,28090,28091,28092,28095,28096,28098,28099,28103,28104,28105,28107,28108,28109,28110,28111,28112,28114,28115,28116,28117,28118,28119,28120,28121,28122,28125,28127,28128,28130,28133,28136,28137,28138,28139,28140,28141,28142,28143,28144,28145,28146,28147,28148,28149,28150,28151,28153,28155,28157,28158,28159,28160,28161,28162,28163,28164,28165,28166,28169,28170,28171,28172,28173,28174,28175,28176,28177,28179,28181,28183,28184,28186,28187,28188,28189,28190,28191,28192,28193,28194,28196,28197,28198,28199,28202,28203,28204,28205,28206,28207,28208,28210,28213,28215,28216,28217,28218,28219,28220,28221,28222,28223,28224,28225,28226,28227,28228,28229,28230,28231,28232,28233,28234,28235,28236,28237,28238,28241,28245,28248,28249,28256,28257,28258,28259,28260,28261,28262,28263,28266,28270,28271,28272,28279,28280,28281
+[C:1]-[N:2]>>[C:1]-[N:2]=[N+:4]=[N-:3]	234	3507,3551,3660,4011,4087,4108,4294,4617,4632,4906,5016,5714,7234,7609,7998,9142,9272,9553,10271,10687,12383,12436,12442,12950,13178,13549,13557,15305,15406,15831,16316,17607,17836,18190,18191,18556,18584,18590,18744,18811,18829,19363,19368,19739,19896,19964,19978,20016,20540,20871,21522,21601,21727,21844,21866,21998,22038,22053,22134,22320,22322,22334,22755,22908,23066,23337,23369,23395,23565,23733,24194,24337,24718,24726,24756,24930,26832,26897,27789,28639,28687,28811,29348,29420,29904,33409,33733,34601,37669,37961,38282,38367,38736,39095,39596,39673,40005,40010,40027,40352,41345,41423,41424,41426,41427,41430,41431,41432,41482,41483,41484,43448,43720,44105,45262,45640,46020,46083,46116,46164,47832,47834,47835,47836,47837,47839,47841,47843,47848,47849,47850,47851,47853,47854,47855,47857,47858,47860,47861,47864,47865,47867,47868,47869,47870,47871,47872,47873,47874,47875,47877,47878,47879,47880,47881,47882,47883,48515,48658,48665,49121,50482,50945,51330,51376,51430,51723,51751,51755,51770,51829,51836,51872,52005,52037,52179,52242,52272,52325,52372,52490,52492,52493,52494,52505,52515,52516,52569,52571,52812,52866,53096,53182,53359,53380,53393,53533,53611,53708,53736,54222,54290,54313,54410,54421,54759,54825,54893,54960,54966,55100,55113,55133,55260,55271,55273,55296,55529,55829,56024,56029,56092,56118,56168,56216,56326,56422,56423,56510,56593,56772,56951,57140,57258
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]>>[O:5]-[C:6].[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:7]	230	1206,1328,1329,1343,2115,2184,2555,2776,2831,3829,4035,4068,4192,4243,4267,4540,4544,4639,4671,5136,5146,5234,5259,5283,5297,5359,5361,5362,5811,6178,6868,7091,7372,7709,7785,8900,9365,9366,9367,9371,9478,9570,10465,10729,11164,11270,11986,12307,12991,13044,13063,13155,13157,13424,13808,14126,14508,14847,14895,16095,16120,16138,16143,17436,18051,18412,18470,18555,20009,20089,20165,20855,21871,21976,21996,22457,22489,22879,23230,23237,23273,23555,23829,24481,24482,24483,24484,24485,24486,24487,24488,24489,24490,24492,24493,24494,24495,24497,24498,24503,24504,24506,24507,24508,24511,24512,24513,24514,24516,24517,24518,24519,24520,24522,24524,24525,24526,24527,24530,24531,24532,24533,24534,24535,24536,24537,24538,24539,24540,24541,24542,24543,24544,24545,24546,24548,24550,24555,24557,24561,24562,24564,24567,24568,24569,24570,24572,24578,24581,24582,24586,24587,24588,24589,24590,24591,24593,24594,24595,24596,24597,24599,24600,24601,24602,24603,24604,24605,24606,24607,24608,24610,24611,24612,24613,24614,24615,24616,24617,24619,24620,24621,24622,24625,24626,24629,24630,24631,24632,24633,24635,24636,24637,24638,24639,24641,24642,24643,24644,24645,24646,24647,24648,24650,24651,24652,24653,24655,24656,24657,24658,24659,24660,24661,24662,24663,26049,27504,27505,27510,27511,27513,29836,29842,31302,31303,31304,34119,34121,34128
+[c:1]:[c:2](-[O:3]-[C:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[O:6].[O:3]-[C:4]	214	2522,3331,3453,3748,3756,3760,3821,3822,3824,3931,4172,4505,4603,4620,4683,5001,5175,5180,5191,5231,5232,5256,5284,5339,5438,5560,5561,5679,5680,5931,6294,6342,6672,7096,7611,7614,8827,8946,9328,9369,9370,9375,9576,10097,10100,10283,10286,10287,10660,10666,10667,10826,10827,10913,11460,11738,11777,11824,12260,12275,12620,12622,12655,13389,13476,13486,13583,14004,14382,15377,15842,15844,15995,16106,16134,16272,17207,17243,18638,19158,19159,19160,19167,19171,19179,19181,19185,19186,19187,19472,19518,19991,20330,20331,20532,20534,20595,21517,21518,22044,22099,22168,22605,22618,23220,23926,24204,24250,24957,25399,25551,25651,25667,25920,26104,26108,27170,27395,27396,27412,27487,27490,27749,27824,27825,28633,28771,29184,30561,32379,32949,34473,34474,34478,34529,35927,36082,36083,36424,36464,36755,37062,37844,37990,38045,38446,39288,39289,39311,39326,39363,39409,39536,39803,39810,41639,42536,42794,43558,43713,43728,44727,45248,45889,46269,47335,47342,47344,48395,48591,48592,48744,48854,49335,49341,49378,49385,49428,49620,50386,50435,50522,50592,50600,50774,51046,51394,51466,51471,51733,52018,52366,52625,52922,52924,52930,52931,53079,53488,53491,53525,53737,54008,54143,54176,54272,54373,54835,55031,55036,55054,55732,55746,56794
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3])=[O:4]	210	2460,2772,2807,2891,3562,3578,3810,3812,3878,4173,5081,6222,6414,6579,7092,7312,7439,7942,8908,8925,9059,9213,9222,9331,9387,9394,9815,9889,11462,11472,12312,12397,12982,14449,18013,18080,18183,18184,18569,18579,18646,18651,18669,18687,18688,18740,18767,18783,18999,19000,19741,19777,19814,19961,19980,20126,20223,20226,20356,21513,21811,22057,22121,22161,22166,22344,22456,23206,23264,23267,23350,23372,23373,23384,23453,23471,23599,23841,23849,24371,24705,24766,24777,25404,25454,25830,26172,26182,26278,27547,27582,27907,27942,28702,29536,33497,33503,33529,34014,34189,34369,36251,36285,36338,36839,36842,37568,37684,37798,38043,39164,39166,39275,39315,39321,39340,39348,39453,39526,40314,41604,43050,43333,43334,43336,43699,43818,43897,45153,45366,45529,45659,45939,46263,46298,46799,46826,48487,48837,49029,49103,49260,49371,49510,49860,49980,50236,50243,50248,50291,50556,50751,50829,50892,51006,51204,51342,51987,52064,52098,52224,52283,52292,52533,52607,52871,53263,53440,53452,53475,53477,53642,53685,53743,53760,53817,53820,54236,54247,54419,54442,54453,54498,54561,54597,54666,54741,54897,55010,55048,55539,55650,55652,55926,55986,56103,56210,56214,56264,56269,56315,56497,56502,56517,56733,56815,56819,56963,56966,57032
+[c:1]-[O:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:5].[c:1]-[O:2]	206	902,912,1228,1502,1741,2131,2145,2165,2880,3396,4816,4819,5054,5078,5360,5376,5381,5715,5930,6102,6134,6164,6174,6188,6249,6265,6330,6405,6429,6503,6513,6515,6516,6518,6521,6522,6523,6588,6738,7358,7540,8000,10721,10877,11827,11968,12011,12252,12450,15390,16409,16410,16413,16415,16473,17178,18394,18403,20055,20170,20455,22845,22854,23094,23215,23579,25267,25326,25361,25463,25594,25596,25837,27608,27662,27672,27716,28643,29374,31160,33324,33476,33528,33539,34412,34605,35928,36049,36079,36141,36741,37518,37984,38628,38649,38910,39047,39992,40274,41343,41445,41647,42697,42698,43026,43130,43421,43422,43478,43494,43892,44200,44298,44459,44657,44715,44720,44721,44730,44737,44777,44784,44785,46126,47338,47343,47347,47358,47359,47769,47825,48443,48633,48677,48678,48681,48684,48742,48750,48863,48874,48903,48904,49048,49148,49171,49236,49244,49302,49319,49511,49533,49564,49590,49610,49656,49660,49872,50156,50166,50186,50372,50417,50434,50470,50495,50535,50550,50640,50701,50722,50793,50806,50840,50849,50863,50885,50928,50929,50930,50954,50997,51010,51036,51169,51207,51593,51691,53140,53382,53644,54448,54466,54750,55027,55028,55032,55044,55045,55046,55049,55069,55675,55906,56196,56200
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[N:8](-[C:9])-[C:10].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:18]-[C:16](-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14])=[O:17]	205	1090,1540,2564,3467,3570,4329,4538,4653,4742,5027,5031,5258,5372,5478,5684,6476,6873,6982,7140,7324,7373,7622,7628,7708,7718,7792,8049,8050,8957,9467,9579,9621,9655,9671,9686,9687,9711,9788,10419,10559,10824,11073,11097,11182,11184,11234,11535,12215,12385,12990,13151,13545,13546,13807,13836,13848,13854,13880,13888,14123,14475,14744,14775,14820,14976,15138,15143,15155,15166,15188,15210,15217,15223,15232,15250,15252,16229,16433,16438,16807,20884,20885,20886,20887,20899,20909,20910,20911,20922,20930,20934,20937,20941,20953,20957,20959,20960,20970,20974,20979,20984,20986,20987,20989,20990,20992,20993,20994,20996,20998,20999,21000,21001,21002,21006,21035,21055,21056,21057,21059,21065,21071,21075,21087,21104,21108,21109,21115,21116,21120,21121,21123,21127,21130,21133,21137,21140,21142,21144,21145,21151,21158,21160,21171,21174,21176,21178,21179,21182,21186,21189,21195,21197,21198,21201,21205,21206,21207,21209,21214,21215,21219,21221,21224,21227,21231,21236,21243,21244,21245,21247,21251,21256,21259,21260,21263,21265,21270,21273,21276,21290,21292,21298,21300,21301,21303,21307,21312,21315,21318,21320,21321,21323,21330,21339,21340,21343,21348,21349,21357,21358,21360,21361,21362,21363
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-[O:3]	205	2569,3044,4085,4196,4197,4487,4549,5034,5217,6083,6224,6527,6906,7335,7339,7604,7735,7862,9003,9274,9300,9368,9446,9823,9883,10043,10152,10437,11876,11877,11878,12144,12306,13194,13475,13477,15360,15391,15511,16371,16499,17407,17413,17476,17478,17792,18218,18390,18472,18508,18650,18655,18686,18699,18788,18794,18809,18815,18857,18882,18964,18977,18982,19956,20049,20233,20250,20268,20358,20483,20864,22020,22046,22135,23293,23299,23385,23402,23411,23451,23473,23600,24826,24863,24928,24956,25036,25039,25066,25324,25341,25631,25806,25890,25914,25932,25933,25934,25935,25938,25951,26021,26173,26438,26986,27419,27544,29370,29535,29712,31935,31936,33331,33434,33506,33965,34018,34081,37166,37415,37686,37747,37801,37806,38105,39168,39466,39576,40023,40186,41588,43253,43496,45156,45540,45606,45886,45921,45924,46925,46940,46941,47383,47423,48292,48501,48590,49825,49831,49870,49900,50080,50283,50720,50728,50757,50875,51255,51403,51432,51825,52498,52512,52525,52526,52636,52640,53064,53086,53248,53467,53541,53804,53819,53906,54187,54268,54269,54544,54739,55144,55460,55759,55917,55964,55996,56049,56077,56096,56097,56134,56151,56182,56213,56248,56250,56370,56431,56473,56581,56587,56610,57025,57135,57256
+[C:1]-[N:3]-[C:2]>>[C:1]-[N:3](-[C:2])-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:10]:[c:9]:1	199	2955,7460,7879,7984,8040,9441,9854,10006,10007,10023,10024,10026,10027,10028,10029,10126,11551,11552,13171,13173,13295,13299,13536,13556,13635,13930,13973,14054,14102,14110,14148,14149,14150,14153,14198,14308,14319,16088,18372,18558,18872,19201,19408,19410,19575,19593,20416,20420,20468,21841,21854,21862,21987,22096,22142,22385,22859,23041,23188,23564,23681,23684,23835,24045,24961,25000,25640,29349,29574,29580,29789,31897,31955,33945,34572,37157,37688,37892,37982,38117,38127,38403,38426,38472,38542,38608,38947,39756,45406,52074,52178,52246,52295,52299,52324,52331,52333,52336,52339,52341,52342,52344,52345,52349,52350,52351,52355,52357,52358,52360,52361,52362,52363,52364,52365,52367,52371,52373,52374,52377,52378,52384,52385,52386,52391,52393,52399,52400,52401,52402,52403,52404,52407,52409,52410,52412,52413,52418,52419,52420,52421,52422,52426,52427,52439,52440,52441,52872,52982,53774,54287,54543,54577,54722,54727,54735,54738,54749,54773,54792,54803,55024,55466,55733,56082,56084,56283,56285,56286,56287,56332,56334,56335,56336,56337,56340,56344,56347,56352,56357,56358,56360,56364,56366,56367,56368,56371,56373,56376,56377,56378,56379,56380,56381,56382,56384,56385,56919,57071
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:6].[c:1]-[N:2]	197	626,1469,1700,1710,1721,2274,2275,2276,2281,2282,2285,2287,2290,2294,2317,2321,2325,2327,2328,2333,2335,2337,2340,2342,2346,2349,2352,2353,2355,2358,2359,2364,2366,2372,2377,2385,2386,2387,2388,2397,2403,2410,2414,2417,2420,2423,2428,2429,2444,2445,2448,2450,2764,3075,3892,3894,3896,4015,4119,4303,4306,4307,4308,4309,4311,4568,4756,4757,4766,4767,5570,5880,5956,6037,7953,7954,7955,7981,9012,9986,10046,10187,10518,10590,10607,10608,10610,10611,10612,10617,10622,10626,10628,10705,11347,11492,11708,11848,12082,12083,12138,12139,12140,12363,12393,13371,14183,14280,14281,15424,17330,17333,17334,17340,17341,17342,17347,17348,17351,17352,17354,17356,17357,17359,17362,17632,17635,17636,17637,18197,19275,25370,25851,25852,26118,26189,26446,26452,26453,26715,29660,29669,29678,29680,29685,29713,29822,29825,29827,29856,34820,34821,34823,34827,37139,38574,38817,39689,39774,40006,40110,40353,41272,41455,42384,42391,42401,42413,42588,42620,42642,42652,42655,43500,43911,43943,43962,43965,43971,43973,43977,43987,43992,43995,43999,44006,44007,44008,44010,44012,44019,44035,48688,48710,50658,51058,54850
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6].[O:4]-[C:5]	188	1538,2493,2500,2501,2539,2542,2821,3804,3811,3832,4079,4154,4919,5075,5141,5192,6127,6255,6282,6286,6296,6303,6304,6312,6313,6416,6418,6419,6422,6434,6438,6442,6549,6551,6559,6781,6856,6891,7044,7299,7329,7943,9124,9211,9254,10344,10420,10472,10500,10725,10952,11468,11487,11615,11784,11792,12107,12111,12118,12279,12432,12439,12660,13196,14646,14647,14650,15381,16399,16403,16804,17122,18585,19988,20621,22586,23741,25602,26612,27160,27668,28743,29531,29542,29861,30254,30310,30312,30322,30329,30338,30339,30341,30392,30398,30409,30412,30419,30423,30435,30448,30457,30459,30460,30461,30463,30471,30472,30473,30475,30480,30482,30483,30485,30497,30498,30500,30502,30507,30508,30509,30510,30513,31244,32726,32752,32753,32757,32763,32773,32780,32787,32806,32807,32812,32825,32850,32889,32900,32901,32905,32907,32925,32927,32939,32943,32954,32956,32971,32973,32986,32987,32990,33001,33013,33029,33045,33051,33064,33077,33078,33079,33088,33091,33095,33097,33099,33103,33107,33112,33124,33128,33149,33150,33156,33167,33168,33169,33174,33175,33881,33883,37443,44130,44179,46837,50941,54412
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:6].[C:1]-[N:2]-[C:5]	187	749,783,858,862,869,874,875,876,1478,2114,2117,2119,2123,2126,2127,2192,2194,2525,3108,3112,3120,3137,3144,3548,3549,3722,3746,3752,3753,3755,3758,3763,3766,3769,3770,3783,3785,4103,4116,4528,4534,4829,4830,4831,4834,4837,4955,5023,5154,5156,5157,5177,5182,5293,5295,5320,5576,5577,5752,5779,6027,6038,6039,6047,6049,6068,6773,6820,6826,6827,6929,7004,7155,7475,7525,7828,8038,8051,9379,9606,9640,9691,9713,9748,9758,9770,10786,10791,10796,11135,11522,11523,12405,12715,12738,12760,12888,13653,13742,13792,13838,13839,13855,13875,13884,14630,14656,14688,14729,14756,14757,14767,14778,14779,14794,14868,14887,14942,14944,14955,14971,15036,15047,15089,15133,15196,15235,15581,15617,15676,15699,15701,15752,15761,15770,16204,16346,19676,19707,20473,22242,22394,23459,23825,24947,25730,27102,27292,29579,29594,29628,30976,31951,32582,32628,32637,32646,32679,35996,37270,37850,37851,37888,39006,39894,40318,43484,43648,43696,43845,46836,48250,48268,49621,49697,49709,50069,50073,50763,51525,54227,54229,54297,54564,54757,54838,56080
+[C:1](-[c:2])-[Br:3]>>[C:1]-[c:2].[Br:3]-[N:10]-1-[C:5](=[O:4])-[C:6]-[C:7]-[C:8]-1=[O:9]	187	1222,1525,1787,1865,1877,1890,1895,3212,3395,5706,5919,6509,6566,6804,7189,7216,7230,8065,8071,8118,8121,8124,8125,8129,8145,8150,8152,8154,8160,8162,8180,8182,8187,8188,8193,8207,8218,8219,8222,8226,8233,8251,8252,8253,8255,8256,8263,8268,8269,8270,8271,8272,8273,8274,8275,8276,8277,8278,8279,8280,8287,8288,8289,8291,8293,8294,8298,8299,8301,8317,8323,8324,8326,8328,8332,8333,8337,8340,8343,8346,8347,8349,8351,8369,8372,8373,8374,8375,8380,8384,8385,8386,8387,8388,8389,8404,8410,8411,8420,8425,8427,8428,8429,8430,8441,8445,8447,8448,8450,8451,8452,8462,8466,8467,8468,8469,8472,8479,8480,8481,8482,8483,8486,8492,8493,8494,8498,8537,8541,8542,8543,8545,8547,8553,8556,8559,8560,8562,8566,8567,8568,8569,8570,8572,8573,8580,8584,8585,8589,8590,8591,8593,8597,8600,8609,8614,8615,8633,8634,8638,8640,8650,8652,8656,8658,8660,8661,8662,8663,8664,8666,8679,8691,8695,8698,8705,8706,8707,8714,8718,8720,8722,8742,8745,8747,8767,8769
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[c:1]-[C:2](=[O:3])-[O:7].[N:4](-[C:5])-[C:6]	183	2770,3105,3111,3117,3143,3363,3571,4504,5064,5087,5310,5311,6277,6288,6498,6499,6580,6633,6983,7567,7631,7656,7678,7794,7814,7900,8048,9463,9746,9747,9775,9776,9778,9779,9781,9782,9790,10972,10974,11175,11176,11229,11317,11450,11451,11518,11519,11521,11799,11976,12278,12728,12758,12767,13010,13019,13033,13062,13135,13279,13425,13538,13542,13705,13725,13726,13729,13733,13762,13814,13890,14064,14065,14359,14661,14663,14703,14723,14741,14759,14768,14926,14932,15091,15101,15122,15148,15194,15230,15238,15297,15543,15549,15550,15565,15586,15616,15668,15669,15674,15704,15709,15711,15720,15734,15738,16207,17318,18678,19529,19644,19648,19680,19705,19709,19732,20189,20784,22071,22182,22398,22786,23628,23630,23687,26433,26647,26725,26788,27085,27104,27105,27397,28793,28876,29385,29605,30936,30994,31146,31963,31964,32365,32472,32570,32580,32581,32616,32624,32630,32645,32685,32686,33307,36833,36870,36871,37385,37397,37437,37439,38786,38787,39746,39798,39877,39883,43227,43700,44303,45251,45252,46114,46804,48314,49147,49716,51077,51355,51967,52141,53786,54898
+[c:1]:[c:2](-[N+:3](=[O:5])-[O-:6]):[c:4]>>[c:1]:[c:2]:[c:4].[N+:3](=[O:5])(-[O-:6])-[O:7]	179	1041,1042,1775,3528,6289,6507,6855,7069,7260,9814,9906,10306,10963,11831,14096,15182,16342,16405,16428,16815,16817,17377,17539,25475,25567,25629,26167,27006,27260,27718,28640,29413,29788,29791,33493,33571,36041,36070,36105,36262,36326,36397,36438,37425,37782,37787,37791,38138,38180,38200,38320,38369,38731,38741,38794,38867,38874,39019,39045,39176,39389,39804,39858,39907,40118,40302,41640,42506,42729,43898,43939,44556,44558,44651,44654,44847,45352,45462,45822,45888,45979,46125,46179,46208,46262,46265,46281,47592,47594,47595,47596,47600,47603,47604,47605,47606,47608,47611,47612,47614,47616,47617,47618,47619,47622,47623,47624,47629,47632,47634,47635,47636,47637,47639,47640,47642,47644,47646,47650,47651,47652,47653,47657,47658,47660,47661,47662,47664,47665,47666,47667,47668,47672,47674,47676,47678,47679,47682,47685,47686,47687,47690,47693,47694,47695,47697,47701,47702,47709,47711,47712,47713,47715,47717,47718,47719,47721,47723,47724,47726,47727,47728,47729,47732,47733,47735,47736,47738,47740,47741,47746,47747,47752,47753,47755,47759,47760,47761,47765
+[C:1](=[O:2])(-[C:3])-[O:4]>>[C:1](=[O:2])(-[C:3])-[O:4]-[C:6](-[C:5])(-[C:7])-[C:8]	177	7330,17429,17520,17522,17647,17718,18008,18023,18024,18028,18029,18031,18032,18040,18047,18050,18053,18055,18057,18081,18189,18215,18220,18221,18222,18228,18229,18242,18246,18250,18253,18256,18258,18259,18267,18268,18269,18270,18274,18278,18288,18289,18294,18296,18298,18299,18302,18303,18309,18312,18313,18315,18317,18318,18320,18323,18325,18327,18328,18335,18338,18339,18341,18343,18345,18346,18347,18349,18354,18356,18359,18360,21509,21511,21520,21523,21525,21527,21529,21530,21533,21534,21537,21538,21539,21541,21550,21551,21553,21568,21573,21586,21587,21590,21593,21597,21602,21603,21604,21613,21617,21618,21620,21627,21629,21631,21632,21636,21637,21643,21644,21646,21647,21648,21650,21653,21654,21660,21662,21664,21667,21668,21671,21675,21676,21678,21680,21682,21687,21689,21692,21693,21695,21697,21701,21702,21704,21705,21706,21710,21712,21713,21714,21715,21717,21721,21722,21725,21732,21733,21737,21744,21746,21753,21760,21763,21764,21767,21776,21777,21778,21781,21783,21786,21788,21789,21792,21793,21794,21796,25652,33778,37405,38143,39237,39313,39360
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4]-[c:5].[C:1]-[C:2](=[O:3])-[O:6]	170	1522,1598,1777,1778,2502,3228,3309,3372,3884,4751,5024,5374,5460,5461,5723,6306,6316,6467,6640,6705,6989,7338,7694,8817,8949,9352,10094,10368,10398,10469,10470,10511,10512,10514,10515,10651,11190,11689,11814,12091,12092,12381,12384,12394,12798,13373,13422,14151,14202,14228,15793,15819,17187,17430,17649,17650,17744,18010,18062,18364,18467,18526,18551,18690,18765,18766,18952,19237,19353,19432,19452,19474,19812,19867,19901,19998,20192,20449,20450,20607,21396,21582,21802,21967,22112,22318,22566,22567,22571,22572,22575,22593,23222,23223,23261,23284,23309,23312,23756,24291,24292,24837,24838,25220,25817,26390,26391,26411,26604,27484,27517,27535,29357,31224,31225,32255,32267,32367,32415,32417,36031,36036,37381,37513,38115,38441,38760,38905,38994,39218,40020,40184,41280,41619,42417,42516,42541,42551,42720,44106,44137,45589,45661,46277,46862,47339,48272,49046,49532,50102,50184,50188,50311,50477,50651,50659,50666,50681,50924,51664,52837,52840,53319,53422,53912,54194,55207,55414,55702,55711
+[C:1]-[N:2](-[C:3])-[c:4](:[c:5]):[c:6]>>[C:1]-[N:2]-[C:3].[c:4](:[c:5])(:[c:6])-[F:7]	168	3107,4519,4529,4532,4542,5303,5353,6933,6934,7012,7288,7307,7381,7649,7654,7710,7751,7763,7769,7770,7771,7772,7799,7801,7806,7823,8885,9088,9358,9595,9602,9756,9783,11087,11094,11095,11099,11105,11116,11118,11121,11696,12507,12691,12702,12752,12757,12777,12778,12785,13669,13673,13685,13689,13696,13697,13699,13700,13711,13712,13714,13719,13737,13738,13740,13784,13803,13844,13903,14671,14678,14708,14712,14714,14837,14877,14907,14925,14958,14959,14994,15003,15010,15023,15028,15043,15057,15061,15065,15067,15077,15093,15096,15102,15104,15107,15117,15124,15125,15528,15601,15605,15639,15646,15650,15660,15664,15675,15677,15678,15715,16192,16194,16201,18562,18891,19635,19647,19650,19654,19666,19668,19679,19685,19702,19718,20354,22849,23620,23648,23653,23656,23657,26794,26795,26796,27049,29557,29588,29596,30005,30861,31915,31973,31978,32281,32361,32362,32364,32569,32620,32648,37713,37827,38348,40358,41617,41663,41664,41677,43235,43860,44871,49034,52431,52435,53656,54823
+[C:1]-[O:2]>>[C:1]-[O:2]-[Si:4](-[C:5])(-[C:6])-[C:8](-[C:3])(-[C:7])-[C:9]	167	17398,17405,18035,18384,18462,18581,18969,19519,21865,22049,24259,24669,24671,24675,24679,24680,24686,24691,24692,24699,24701,24703,24706,24707,24708,24712,24727,24731,24733,24734,24743,24745,24746,24753,24759,24760,24761,24764,24771,24774,24775,24778,24779,24782,24786,24788,24790,24798,24803,24812,24813,24822,24823,24824,24828,24832,24834,24851,24857,24858,24859,24864,24865,24867,24873,24876,24882,24883,24884,24888,24892,24893,24895,24898,24899,24900,24904,24905,24906,24921,24925,24927,24929,24936,24937,24941,24944,24945,24958,24959,24964,24967,24968,24970,24971,24974,24975,24976,24977,24979,24980,24986,24988,24989,24990,24994,24995,24996,24999,25001,25002,25005,25007,25009,25010,25013,25038,25041,25043,25047,25048,25051,25052,25059,25063,25068,25069,25071,25073,25077,25081,25082,25083,25084,25086,25087,25089,25094,25096,25098,25102,25107,25108,25112,25115,25117,25118,25123,25127,25128,25129,25130,25133,25135,25142,25150,25151,25152,25153,25155,25161,25162,25163,25173,25342,34082,38412
+[C:1]-[O:10]-[S:7](-[c:6]:1:[c:5]:[c:4]:[c:3](-[C:2]):[c:12]:[c:11]:1)(=[O:8])=[O:9]>>[C:1]-[O:10].[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6](-[S:7](=[O:8])(=[O:9])-[Cl:13]):[c:11]:[c:12]:1	165	1556,2182,2846,3835,4030,4155,4174,4194,4633,4924,5120,5137,5138,5218,5257,5599,5885,5972,6907,7062,7273,7378,7605,7728,7934,9148,9396,9460,11476,12859,12871,14010,14383,15371,16105,16122,16322,16353,18192,18212,18768,18876,19182,19973,20203,21623,21677,21726,21913,21997,22042,22620,22984,23071,23371,23389,23413,24195,24378,24749,25685,25952,26020,26266,26682,27366,27983,28551,28689,29410,32382,33580,34247,34373,34602,36836,37162,37432,37845,39708,40026,42103,43445,43511,43683,43684,43903,43904,45349,45638,46039,46040,46168,46264,46843,46860,46887,46939,46943,46946,48150,48666,49012,49986,50115,50117,50235,50294,50297,50483,50492,50860,50880,50887,51007,51372,51985,52038,52198,52486,52488,52501,52506,52511,53459,53542,53556,53671,53908,53909,53922,53923,53924,53925,53926,53927,53932,53934,53935,53936,53937,53938,53939,53940,53941,53943,53944,53945,53946,53947,53948,53949,53950,53951,53953,53954,53955,53956,53957,53958,53959,53960,53962,53963,53964
+[N:1](-[C:2])-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]>>[C:3]-[C:4](-[C:5])(-[C:6])-[O:7]-[C:8](=[O:9])-[O:17]-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[N:1]-[C:2]	160	1336,2562,2777,3577,3917,4144,4162,4320,4478,5216,5959,5995,6367,6369,6394,6413,6560,6675,6903,7037,7422,7905,7911,7912,9264,9306,9336,9344,9415,9481,9491,10450,10502,10539,11088,11490,11622,12055,12313,12359,13165,13169,13630,15304,15378,18464,20888,20889,20890,20891,20892,20894,20895,20896,20897,20900,20904,20905,20906,20915,20917,20921,20926,20931,20942,20945,20947,20949,20955,20956,20958,20964,20966,20980,20985,21004,21009,21010,21021,21039,21041,21044,21050,21052,21060,21061,21062,21064,21066,21074,21076,21081,21082,21111,21113,21114,21119,21124,21125,21129,21136,21150,21153,21155,21156,21159,21185,21191,21192,21196,21203,21204,21208,21211,21216,21217,21222,21223,21226,21228,21229,21230,21232,21239,21249,21250,21252,21253,21255,21258,21261,21262,21264,21269,21272,21280,21283,21285,21286,21287,21289,21297,21305,21308,21309,21310,21311,21316,21317,21324,21325,21334,21335,21336,21337,21338,21341,21345,21347,21355
+[c:1]:[c:2](-[Br:3]):[c:4]>>[c:1]:[c:2]:[c:4].[Br:3]-[N:11]-1-[C:6](=[O:5])-[C:7]-[C:8]-[C:9]-1=[O:10]	155	1624,2849,3023,4406,5742,6055,6110,6186,6409,7070,7144,7377,7430,7433,7572,8076,8080,8081,8083,8102,8103,8108,8109,8110,8113,8114,8117,8120,8134,8138,8143,8147,8157,8159,8161,8166,8167,8169,8174,8175,8176,8177,8178,8181,8196,8197,8200,8202,8203,8213,8221,8223,8225,8229,8230,8231,8232,8234,8238,8239,8248,8254,8259,8292,8295,8296,8297,8300,8309,8311,8319,8320,8329,8330,8334,8338,8339,8341,8344,8350,8378,8390,8391,8395,8396,8397,8398,8399,8400,8405,8409,8414,8416,8417,8418,8419,8421,8423,8434,8435,8455,8460,8476,8478,8484,8485,8491,8497,8499,8505,8506,8507,8508,8520,8522,8533,8538,8554,8555,8561,8563,8565,8575,8582,8583,8592,8596,8598,8606,8618,8624,8647,8648,8653,8659,8665,8668,8670,8676,8684,8685,8686,8687,8700,8703,8704,8708,8709,8732,8733,8735,8738,8739,8741,8773
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]-[O:3]	153	1889,5348,5350,5357,5373,5378,5384,6391,6478,7049,10950,11328,13307,13388,13624,14425,18239,18428,19220,20374,20606,20740,21422,21574,21773,23126,23814,24408,25183,25196,25442,26533,26845,27616,27974,29584,29767,29999,34047,34498,34517,34518,36032,36309,36393,38626,38764,38893,38938,38964,39214,39629,40161,42415,42597,42628,42717,42726,43238,43314,43473,44477,45346,45698,45706,45918,45949,45955,45984,46063,46148,46233,46250,46890,47384,48209,48257,48307,48333,48342,48520,48542,48573,48767,48787,49098,49409,49601,49707,49952,50025,50041,50047,50185,50192,50195,50228,50432,50439,50486,50488,50585,50696,50761,50762,50936,50939,51008,51159,51200,51541,51542,51543,51817,52656,53022,53162,53276,53361,53623,53715,53745,53879,54164,54312,54394,54395,54399,54401,54402,54403,54405,54460,54659,54820,55015,55175,55673,55694,55695,55697,55846,55871,55936,55963,56245,56630,56634,56861,57038,57064,57246,57328
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	153	2768,3319,3321,3322,4045,4048,4050,4477,4480,4502,5237,5238,6322,6689,6861,7370,7484,7494,7759,7952,8030,9354,9458,9495,9993,9995,10728,10837,10843,10848,11003,11058,11091,11092,11417,11445,12170,12173,12182,12192,12480,12642,12875,12962,13517,13518,15372,15451,15452,15458,17466,17506,17753,17773,17782,18763,18883,19068,19510,21852,21881,22288,22306,22308,22359,22365,22389,22660,22668,22805,22950,23394,23550,24730,24754,26036,26737,26944,26976,26978,27078,27622,28714,28872,29722,29751,29752,29761,29896,29977,30148,30149,30221,31105,33490,36413,36939,36945,36977,36978,36979,36989,37017,37026,37259,37479,37617,37862,38100,38456,39031,39100,41771,41850,41853,41873,41884,41928,41945,41961,41962,41969,42129,42136,42137,43251,43682,46808,46841,47424,48344,49088,49466,49758,49784,49828,49832,50124,50126,50784,51239,51257,51406,51712,52174,53775,54336,55692,55693,55851,55866,56169,57202
+[O:1]-[C:2]-[c:3]>>[O:1]=[C:2]-[c:3]	151	1081,1500,3030,9556,11351,11367,11377,12957,13202,14091,14209,14218,14615,15927,15991,17433,19735,19892,20844,21467,21735,21926,22942,24987,25067,25184,25208,25226,25423,25435,25716,26086,27344,27611,27682,31333,33400,34352,34451,34468,34509,36053,36205,36369,36387,36389,36798,36913,37768,38454,38476,38754,38756,38839,38904,39150,39201,39417,39703,40078,40156,40320,40350,42086,43254,43264,44614,44628,44629,44636,44644,44655,44673,44698,44716,44717,44738,44739,44742,44743,44745,44770,44795,45280,45883,45974,46121,48430,48433,48436,48439,48446,48447,48448,48449,48465,48466,48474,48475,48477,48572,48983,49040,49149,49338,49421,49600,49684,49736,49957,49961,50465,50596,50833,50896,50964,50994,51103,51687,52035,52310,53090,53184,53198,53515,53649,53797,53888,54116,54120,54121,54144,54145,54146,54147,54148,54152,54154,54389,55017,55071,55074,55293,55887,56563,56602,56645,56746,56786,56788,56888
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])=[O:5]	146	2054,3310,3857,4047,4217,4368,4443,4956,6395,6862,6993,7015,7116,7343,7421,7446,8918,9050,9113,9355,9420,9433,9979,10386,10817,10851,11015,11016,11026,11027,11040,11057,11461,11653,11946,12180,12488,12617,13134,13513,13514,13516,13588,13627,15877,17601,17603,17659,17684,17762,17996,18200,19977,20602,20605,21502,21506,21751,21752,21769,22228,22239,22435,22646,22662,22666,23882,23885,23889,23895,25592,26686,26955,26956,27081,27266,29721,29893,29983,29989,29990,29998,30131,30141,30142,30143,30144,30147,30157,30168,30197,30202,30203,30204,30982,31082,34239,34658,34659,36745,36848,37667,37848,37859,38735,38755,39196,39198,40258,41777,41912,41920,41952,41958,42012,42139,42141,43032,43497,43593,44811,45546,46312,46817,46926,47327,48479,48496,49229,49420,50265,50970,51673,51674,51824,51978,54018,54135,54283,54285,55140,55344,55456,55594,55955,56191
+[c:1](:[c:2]):[n:8]:[c:4](:[c:3])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[c:1](:[c:2]):[n:8]:[c:4](:[c:3])-[Cl:9]	144	3118,3134,3214,3332,3565,5296,5306,5821,6541,7027,7638,7639,7641,7655,7721,7798,7802,7815,7816,8901,9616,9630,9638,9641,9647,9727,9730,10108,10335,10342,10535,10896,11223,11590,12709,12731,12745,12773,12779,12802,12874,13035,13087,13183,13688,13702,13722,13744,13779,14439,14446,14657,14717,14824,14875,14885,14893,14905,14912,14937,14938,14964,14987,15007,15009,15015,15025,15027,15033,15042,15050,15066,15121,15142,15236,15540,15592,15595,15606,15615,15645,15651,15652,15667,15691,15692,15710,15730,15760,16015,16213,18074,19465,19467,19626,19659,19661,19667,19691,20326,21383,23505,23618,23631,23646,23686,23810,25639,27626,27863,28646,28647,29690,30004,30938,31109,32594,32602,32603,32604,32608,32632,32673,34064,34652,34653,34688,36162,36290,36344,36960,37706,38631,38781,40143,41327,41665,41689,43226,45728,48345,48886,48890,55630
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:5]-[C:4]	143	2919,2929,3842,4052,4090,4728,4740,4747,4748,4750,5471,5477,5545,5604,5621,5922,6659,6958,7741,7933,8865,8952,9096,9158,9269,9289,9309,9314,9568,9882,9896,10044,12283,12414,12862,13164,13442,14742,16006,16389,17256,17622,18217,18813,18956,19417,20813,20852,22075,22114,23221,23661,24209,24429,24954,25658,25711,25862,25983,26165,27777,28631,29186,29392,29737,32518,34015,34503,36265,37133,37134,37135,37926,38049,38075,38439,39082,39205,39301,39307,39805,39806,39816,40017,40375,43355,43371,43838,43926,45305,45348,46230,48281,48291,48317,48657,49160,49910,49955,50292,51370,51431,51461,51866,51974,51981,52194,52437,52448,52510,52566,52643,52705,52803,53368,53433,53449,53860,53863,53904,54255,54525,54899,55004,55246,55398,55474,55687,55896,55958,56038,56083,56091,56095,56135,56268,56400,56586,56720,56881,57084,57119,57124
+[N:1]-[C:2]>>[N:1]-1(-[C:2])-[C:4](=[O:3])-[c:5]:2:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:2-[C:11]-1=[O:12]	143	6799,6813,6814,6815,6816,6817,6818,6828,6830,6831,6832,7195,7197,7201,7202,7203,7237,7238,7239,7241,7242,7243,12987,16392,17458,18016,18461,18985,19052,20345,20394,20411,20440,20644,21508,21999,22039,22705,22886,22905,23834,24344,24377,25719,25886,26061,27036,29341,37154,37561,37642,37672,38062,38683,39557,39754,43580,43792,44518,44519,44520,44521,44522,44523,44524,44525,44526,44527,44529,44547,44549,44550,44551,44552,49924,49925,49929,49932,49933,49935,49937,49938,49941,50062,50076,50077,50078,50079,50081,50082,50083,50084,50085,50086,50087,50088,50090,50092,50093,50094,50095,51362,51363,51364,51365,51366,52016,52036,52166,52688,53360,53403,54225,54777,55743,55744,55745,55747,55748,55749,55750,55751,55752,55753,55754,55757,55758,55766,55771,55773,55774,55775,55776,55809,55810,55811,55812,55836,55876,56121,56131,56139,57086
+[c:1]:[c:2](-[O:3]-[c:4]):[c:5]>>[O:3]-[c:4].[c:1]:[c:2](:[c:5])-[F:6]	140	3261,3426,4657,5130,5131,5728,5730,5732,5924,6314,7034,7389,12008,12015,15913,17121,18340,18503,20076,21659,21743,21939,23430,23983,24271,24296,25690,26132,26199,26879,26902,27478,27654,27953,27964,29418,33296,33306,33365,33501,33541,36077,36098,36142,36200,36220,36221,36345,36428,37065,37776,38136,38139,38452,38453,38510,38546,38668,38712,38793,38827,38901,38902,39020,39147,39175,39626,39949,40340,40343,40356,42380,42477,42481,42622,42696,42834,43272,44639,44671,44736,44794,44806,45286,45580,45595,45702,47350,47364,47381,47797,48074,48085,48086,48088,48258,48315,48388,48389,48640,48675,48831,49054,49065,49066,49173,49278,49403,49441,50323,50362,50672,50918,50988,50989,50990,51020,51047,51049,51469,51472,51634,51635,51636,51753,51814,51815,52719,52911,52925,53674,53916,53917,54127,54128,54129,54130,54132,54134,54822
+[C:1](-[c:2])(=[O:3])-[O:5]-[C:4]>>[C:1](-[c:2])(=[O:3])-[O:6].[C:4]-[O:5]	139	1912,4618,5202,5219,6280,6359,6443,6444,6482,6490,6576,6582,6636,9518,10463,11349,12096,14467,16439,16816,18021,18022,21504,25464,26721,27166,27168,27176,28843,28858,29748,30300,30321,30326,30340,30347,30349,30393,30394,30395,30410,30414,30430,30431,30437,30438,30440,30441,30449,30450,30451,30454,30464,30474,30481,30486,30506,30515,32712,32733,32735,32737,32738,32741,32742,32745,32778,32782,32784,32786,32791,32793,32800,32815,32816,32824,32826,32855,32857,32861,32862,32870,32873,32876,32877,32884,32887,32902,32912,32913,32914,32920,32921,32936,32950,32951,32952,32958,32964,32968,32970,32975,32977,32981,32985,32988,32989,33004,33005,33006,33007,33009,33010,33011,33026,33033,33034,33036,33037,33038,33044,33063,33073,33076,33090,33092,33093,33102,33109,33110,33115,33142,33148,33157,33178,33186,33188,37805,45988
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]>>[C:4](-[c:5])=[O:6].[C:1]-[N:2]-[C:3]	137	3099,4506,4510,5037,5041,5322,7009,7629,7636,7637,7640,7643,7644,7647,7660,7808,7817,9048,9408,9618,9662,9672,9703,9724,9734,9737,9738,9742,9743,9744,9749,10243,11564,12274,12629,12688,12706,12725,12740,12759,12765,12864,12971,13088,13089,13372,13626,13695,13724,13741,13757,13805,13826,13852,13853,13858,13862,14324,14377,14679,14697,14722,14765,14808,14816,14818,14881,14889,14890,14939,14940,14979,15020,15084,15095,15112,15561,15575,15602,15621,15624,15626,15641,15721,15726,18534,18563,18564,18715,18799,19136,19539,19614,19622,19623,19634,19682,19687,19706,19731,20318,20319,20320,20711,23805,24901,27231,27264,28297,29547,29601,30867,32497,32583,32605,32606,32614,36382,36846,37173,37490,37880,38471,39982,40316,41660,44676,44678,44796,51822,53966,54114,54118,54151,54358,55372,56068
+[C:1](-[c:2])-[O:3]>>[C:1](-[c:2])(-[O:3])=[O:4]	134	1902,2144,6341,6351,6370,9108,10489,10719,10926,14635,15168,16079,16396,17700,17735,18237,18521,18544,19224,19264,20562,23457,23770,23991,25425,25524,25666,25713,27389,28656,28979,29515,29586,33303,33310,33343,33460,34488,34515,34569,35929,35993,36034,36050,36084,36148,38438,38513,38721,38742,38744,38955,39039,39628,40174,40292,41354,42487,42596,42692,42724,43313,43584,44187,44291,44869,45938,46002,46017,46018,46253,47810,48204,48242,48243,48334,48404,48408,48629,48632,48764,48788,48835,48849,48971,49028,49114,49126,49155,49169,49248,49393,49394,49560,49630,49664,49771,50019,50023,50045,50220,50330,50371,50379,50590,50967,50984,51028,51037,51041,51073,51307,51352,51470,51473,51491,51630,51701,51736,52012,52048,52598,52668,53023,53627,53792,53919,54766,55363,55878,56675,56865,56869,57040
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5])-[Cl:6]	131	3251,3356,3409,4777,4787,4791,6602,6634,9256,12046,12233,12860,13434,13597,13990,14441,15952,21681,21823,21922,22919,22931,24765,25219,25254,25570,25571,25572,25573,25574,26175,26193,26194,26195,26413,32507,32513,32534,33291,33390,34634,35869,35871,35872,36181,36729,37177,37721,38113,38389,38430,38614,38889,38907,38975,38977,38979,38980,38981,38993,39075,39135,39249,39398,39963,40211,40299,42404,42410,42561,42599,42609,42712,42714,43281,45823,45989,47363,48288,48354,48777,49025,49049,49078,49416,50369,50395,50397,50398,50508,50525,50567,50570,50657,50667,50670,50926,50927,50949,51025,51100,51234,51236,51488,51502,51627,51745,51794,51813,52167,52832,52853,53586,53589,53590,53591,53592,53593,53595,53596,53739,53740,53741,53895,54361,54854,54857,54861,54887,55426,55727
+[N:1]-[C:2]-[C:3]>>[N:1]#[C:2]-[C:3]	130	1499,1503,2200,3855,3877,4182,5006,5007,6410,7746,7919,9525,9945,9963,9992,10140,10384,10385,10387,10476,10675,10686,11470,11954,12321,13192,13209,13256,13311,13562,14074,14098,14099,14100,14177,15382,15383,17154,17160,17605,17698,17877,18068,18396,18430,18580,18719,19416,19746,19954,21577,21806,21879,22465,22602,22873,22894,23177,23348,23386,23500,23507,23531,23794,24886,24966,26028,26128,26130,26726,26833,27733,29114,29352,31090,31906,33590,34578,34692,36231,37925,39758,39947,41297,41311,42850,43886,44845,45163,46037,48352,48485,48566,48766,49256,49581,51180,51321,51374,51931,52150,52171,52177,52387,52436,52450,53208,53479,53683,54161,54523,54719,55016,55135,55504,55634,55676,55679,55802,55972,56078,56085,56160,56441,56776,56809,56816,56912,57117,57156
+[O:1]=[C:2](-[O:3])-[C:4]-[O:5]-[c:6]>>[O:1]=[C:2](-[O:3])-[C:4]-[Br:7].[O:5]-[c:6]	129	653,657,659,660,661,664,665,666,671,673,674,677,678,679,681,682,683,684,686,688,691,692,693,694,695,696,697,698,700,701,702,703,704,705,711,712,1909,2537,2859,5045,5046,6131,6787,11102,12858,14488,16408,16822,17620,18116,18118,18120,18121,18123,18134,18135,18136,18139,18140,18141,18142,18143,18145,18146,18150,18152,18157,18160,18161,19333,20793,22141,25589,25659,26285,26408,26501,26847,26900,27243,27244,27245,27246,27370,28660,29177,29782,30637,30641,30642,30645,30646,30647,30650,30651,30652,30654,30655,30658,30659,30660,30661,30662,30663,30664,30665,30668,30671,30674,30675,30676,30677,30679,30680,30685,30687,30689,30691,30693,30696,30701,30710,30711,30712,30716,30721,30722,30723,30725
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[Cl:6]	129	1333,2227,3132,3136,3139,3965,4054,4170,4296,4297,4317,4348,4353,4357,4521,4522,4535,4537,4666,5055,5224,5294,5957,5958,6032,6036,6045,6269,7064,7098,7267,7375,7713,7719,8828,9453,9597,9648,9649,9650,9656,9660,9715,9751,9773,9794,9972,10350,11143,11170,11525,11871,12588,12671,12687,12716,12744,12769,12793,13025,13675,13686,13754,13789,13812,13842,13846,13883,13885,13911,14670,14672,14673,14700,14705,14706,14716,14731,14735,14753,14764,14796,14817,14960,14972,14975,15031,15041,15116,15118,15175,15186,15187,15195,15219,15548,15618,15643,15731,15758,15766,18946,29558,29559,29562,29563,29564,29566,29590,30283,30822,31977,32622,32650,32665,33570,34273,34391,35882,36477,37956,39005,39233,46302,46303,46845,50125,52274,57255
+[C:1]-[N:2](-[C:3])-[c:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1>>[C:1]-[N:2]-[C:3].[c:4]:1(:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:10]	129	3151,3566,5631,6875,7006,7007,7645,7663,7765,8045,9475,9785,10898,11511,11512,11598,11605,11606,12212,12213,12219,12690,12704,12726,12749,12763,12766,12784,12890,13090,13656,13707,13708,13709,13810,13820,14025,14325,14606,14682,14704,14711,14737,14746,14771,14772,14773,14786,14806,14945,14998,14999,15004,15055,15079,15113,15564,15579,15584,15613,15630,15649,15656,15659,15680,15685,15687,15694,15698,15714,15771,16197,16198,16211,16228,16230,17222,17706,18665,18718,18892,19657,19675,19724,19725,19730,20317,22781,23651,23654,23658,27588,27741,27795,28836,29380,29595,29603,29604,29606,29608,32506,32566,32611,32655,32656,32657,32663,32664,32695,33442,36868,36869,36986,36987,37010,37012,37079,37770,39777,39778,41707,43864,48199,48336,49074,49779,50572,52423
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:1>>[N:5]-[c:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[Cl:9]	127	2900,5059,5814,6272,6326,7200,7491,7503,9061,9401,10081,11109,11145,11370,11745,11840,11841,11842,11953,12202,12205,12806,13528,13958,13959,14000,14048,14221,14238,14330,14352,14471,15796,15911,17181,17898,18434,19429,20721,21457,22387,23612,23866,23985,24124,24755,27064,27079,27133,27146,27321,27480,27932,28568,29479,29512,30009,30010,31219,31917,31946,32495,33976,34506,34513,34754,35932,36354,36789,36934,37007,37031,37059,37511,37557,38458,38953,40198,41620,41683,42383,42496,42507,42557,42606,42612,42616,42617,42618,42645,42647,43063,43304,45355,46108,46109,46110,46207,48741,48839,48840,48841,48842,48843,49194,49356,49386,49464,49829,50275,50660,50669,51304,52836,52914,52915,53788,54748,54868,54871,54873,54874,54915,54922,55056,56005,56734
+[O:1]=[C:2](-[N:3]-[C:4])-[c:5]:[c:6]:[n:7]>>[O:1]=[C:2](-[c:5]:[c:6]:[n:7])-[O:8].[N:3]-[C:4]	126	1905,1916,1917,1930,1938,3066,3070,3443,4982,5824,5825,6483,6485,6535,6688,9033,10217,10269,10440,10508,10818,10891,10941,10988,11562,11626,11629,11631,11632,11940,12320,12468,12479,12618,12925,12948,13061,13473,13955,14049,14271,14465,14584,15449,15466,15803,17767,19378,20208,20236,20413,20538,21547,23146,23328,23727,23888,23946,25729,25818,26007,26624,27652,27653,27775,27778,27779,27780,27781,27782,29759,30139,30175,30209,33978,34282,35924,35999,36066,36434,37741,37874,37875,37988,38098,38394,38436,39283,39476,39593,39594,39951,39952,39993,40187,41769,41820,41837,41841,41943,41953,42009,42468,42521,43041,46113,48259,48260,48959,49151,49152,49204,49274,49484,49768,49769,50129,51161,51314,51628,53535,53711,54686,55790,56051,56277
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2].[c:3](:[c:4])(:[c:5])-[F:6]	126	4605,4611,4684,4719,4733,5203,5289,5321,5368,6000,6719,7445,7838,7915,7962,9147,9373,9498,9818,9905,10716,10916,10917,11096,11432,11788,11948,12211,12504,12521,12523,12524,12594,12621,13175,13567,13957,15376,15431,15828,18792,19164,19183,19184,19189,20854,21824,22188,22608,23208,23557,24773,24878,25919,26479,26491,27100,27157,27167,27177,27312,27791,29320,30248,30495,32298,32299,32301,32749,32774,32776,32783,32785,32795,32802,32854,32864,32874,32875,32886,32904,32940,32948,32957,32959,32969,32978,32979,33018,33019,33021,33024,33028,33035,33160,34724,35047,37141,37898,37905,37909,38563,39361,40267,40323,40346,42091,42381,42514,46858,46884,46954,46978,46992,47001,47813,48190,48676,48829,49031,49554,50607,50689,51933,54133,54137
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[Cl:7].[N:4](-[C:5])-[C:6]	125	624,625,1616,1704,2277,2296,2301,2304,2305,2309,2313,2319,2320,2322,2323,2326,2329,2331,2332,2351,2357,2419,2427,2437,2442,2443,2452,2761,2762,2763,3567,3923,4028,4032,4105,4312,5876,5878,5883,6596,7296,7514,7515,7519,7634,7861,9203,9628,9697,10588,10589,10591,10599,10605,10609,10616,10618,10621,10623,10627,11185,12019,12136,12364,12365,12676,12699,13302,13774,13843,13860,13893,14024,14748,14769,14809,14850,14866,14888,14927,14941,15120,15172,15179,15509,17189,19140,19576,20164,20865,23647,23790,25015,25529,25540,25780,26581,27107,29431,29598,29666,29671,29672,29823,30937,32668,33574,36357,37496,37894,38659,38707,39630,39749,41472,43214,43944,44009,44026,44037,44041,49124,52605,54381,56246
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:4](-[C:3])=[O:5]	123	4038,4180,5420,5805,6006,6064,6742,6785,7278,7485,7613,7825,7842,11992,13051,13139,13310,13966,14005,14105,14592,16121,16123,16310,18391,18478,19874,20001,20814,21575,23167,23485,24696,25966,26169,27418,27567,34028,34029,34271,34347,34375,34519,37137,37145,37835,38550,38822,38941,39125,39156,39242,39551,39684,39783,40071,41571,41591,43030,43060,43062,43446,43476,43514,43795,44043,45376,45565,45569,45983,46045,46886,47818,48332,48660,48996,49142,49759,49773,49792,50310,51201,52343,52376,52579,52585,52654,52655,52657,52681,52793,52804,52973,53324,53331,53362,53695,53878,54010,54264,54409,54444,54445,54449,54451,54459,54461,54474,54475,54476,54891,54937,55083,55393,55935,56221,56327,56842,56900,57185,57236,57352,57369
+[C:1]-[N:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[F:6].[C:1]-[N:2]	120	3051,4219,4321,4363,4381,4429,4442,4447,4575,4745,5247,5250,5253,5367,5547,6152,7758,7762,7866,8850,9006,9343,9496,9497,9932,9934,9935,9936,9937,10214,10215,10251,10852,10986,10987,11001,11033,11035,11037,11038,11045,11267,11618,12154,12171,12178,12422,12425,12426,12484,12646,13137,13230,13508,14008,15453,15457,15461,15464,17759,17776,17777,17787,18748,20839,21639,22231,22235,22255,22643,22644,22650,22651,22653,22941,23891,23893,24286,25902,26741,26950,26959,26960,26963,26967,27271,29725,29982,30173,30182,30183,30184,30201,32251,32279,32332,32336,33387,36106,36399,39670,40009,41760,41761,41830,41838,41864,41867,42008,43341,45256,45257,45258,48499,49531,49613,51034,51096,51097,52980
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]=[O:6]	119	2022,2025,2032,2038,2041,2044,2046,3688,3856,3938,4237,5738,6086,6087,6859,7038,7524,7626,7635,7650,7707,7714,8915,9322,9323,9593,9617,9714,9753,9786,9941,10045,10125,10542,10747,10749,10750,10753,10759,10760,10761,10923,11130,12305,12404,12737,12776,12933,13168,13274,13428,13661,13823,13840,13847,13859,13877,14761,14763,14780,14784,14797,14798,14807,14898,14977,14980,14981,14982,15135,15185,15193,15202,15234,15410,15977,16209,17412,17414,18475,18929,19641,19694,19698,20321,21858,21859,22393,23193,23912,25303,25314,25634,25808,25867,25910,26548,26556,26673,29806,30008,32647,32676,33452,33588,37470,37685,37746,38103,39416,41686,43862,44591,45284,46165,50006,50276,50874,54737
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:13](-[O:4]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)=[O:12]	118	7276,9836,9838,9840,9885,9886,11230,11960,12116,13405,13452,13497,13520,13552,13558,13609,13628,13934,13988,13989,15826,17828,18348,18370,18473,19040,19605,20163,20166,20182,20221,20421,20489,20506,20749,21414,21840,21853,22180,22728,23038,23195,23608,23609,23610,23667,24309,24356,24781,24785,25663,27842,28298,34063,34075,34587,37878,38737,39981,43435,45327,46011,46223,46286,49372,49926,52485,52487,52489,52491,52495,52497,52499,52502,52503,52504,52508,52509,52513,52519,52521,52522,52567,52568,52570,52573,52575,52576,52578,52580,52581,52583,52981,52983,53201,53280,53782,54208,55865,56022,56175,56421,56425,56428,56429,56480,56482,56487,56488,56489,56490,56491,56492,56493,56500,56503,56504,57142
+[c:1]:[c:3](:[c:2])-[Br:4]>>[Br:4]-[Br:5].[c:1]:[c:3]:[c:2]	116	125,129,131,137,143,150,151,154,156,163,166,169,172,173,178,179,180,182,185,186,187,188,193,198,199,200,202,205,206,207,208,209,210,211,212,215,216,222,229,230,235,236,237,241,243,253,255,257,270,271,272,273,274,275,277,278,290,291,292,295,296,302,304,305,308,310,313,315,316,317,319,322,323,324,326,327,333,334,335,341,348,349,352,353,354,355,367,372,373,388,389,390,391,397,398,400,401,403,407,415,416,417,418,419,422,424,429,430,434,435,440,445,446,447,459,463
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5]:[c:6]:1)-[Cl:7]>>[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5]:[c:6]:1)-[O:12].[Cl:7]-[P:9](=[O:8])(-[Cl:10])-[Cl:11]	116	1054,4904,6031,9912,9914,11217,11219,11275,11412,11851,12662,12663,12877,15867,15939,25718,25725,25727,27604,27641,27728,27792,28835,29449,34297,34298,34330,34388,34639,34640,35142,35143,35184,35194,35199,35200,35203,35207,35210,35211,35217,35221,35222,35223,35236,35239,35240,35250,35254,35265,35266,35267,35268,35278,35281,35283,35285,35289,35292,35293,35294,35295,35297,35299,35305,35308,35309,35317,35322,35326,35327,35335,35341,35342,35343,35344,35345,35353,35370,35371,35372,35381,35409,35412,35415,35422,35424,35426,35434,35444,35448,35453,35459,35464,35466,35471,35473,35475,35486,35488,35493,35494,35495,35496,35503,35508,35509,35513,35519,35520,35526,35527,35529,35530,35532,35534
+[c:1]-[O:2]-[C:3]>>[c:1]-[O:2].[C:3]-[I:4]	115	4113,4168,4650,5430,6109,6168,7950,10361,11452,11832,11983,12350,16819,24257,25363,25412,25418,25443,25466,25710,26477,26506,27011,27595,27609,27751,28891,28895,29416,29423,29863,31369,31370,31379,31380,31383,31398,31413,31423,31432,31452,31499,31501,31502,31512,31513,31514,31515,31516,31517,31519,31520,31542,31558,31559,31566,31570,31579,31587,31589,31590,31592,31593,31596,31604,31605,31608,31614,31620,31623,31625,31627,31633,31634,31636,31646,31661,31663,31673,31676,31681,31682,31686,31688,31689,31690,31691,31692,31695,31701,31711,31722,31724,31727,31728,31732,31749,31759,31773,31784,31789,31796,31836,31838,31840,31844,31845,31846,31847,31850,31855,31859,31869,31871,31878
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:3](=[O:4])(-[O:5])-[Cl:7].[C:1]-[N:2]-[C:6]	114	1791,1793,1796,1797,1798,1802,1803,1805,1807,1808,1809,1810,1814,1829,1832,1854,1855,1859,1860,3873,3958,4514,5033,6910,6999,7005,7008,7363,7658,7711,7855,7886,7948,8019,9086,9087,9338,9357,9464,9631,9645,9740,9763,10077,10337,13038,13524,13778,13833,14751,14793,14849,14882,14986,15214,15225,15231,15233,15240,15247,15327,16191,16219,16226,16361,16379,17527,18214,18663,19611,19619,19711,19733,19891,20006,20466,21672,21890,22002,23241,23276,24960,27251,29591,29796,29912,30784,30792,30806,30808,33892,37266,37979,38038,38637,39422,39424,41685,41688,43054,45283,45402,49312,49432,51697,51698,52551,52552,52557,52561,54052,54211,54794,54918
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]	114	5638,5939,6229,6267,6376,6377,6435,7844,10074,10383,10645,10905,11076,11201,11374,11800,11864,12218,14077,14145,14223,14445,14629,15813,15870,16000,17192,19213,19306,19524,19547,20588,21779,23098,23982,24041,24152,24153,24290,24341,25024,25469,25615,25624,25857,26135,26136,26138,28338,28708,29459,29494,29495,31233,32348,35934,36088,36531,36952,37050,37178,37792,37843,38114,38480,38572,38743,38765,39041,39220,39622,42399,42402,42403,42406,42543,42660,42674,42675,42679,42709,42710,42715,43318,45324,45619,45985,45986,46582,48200,48261,48320,48634,48635,48636,48637,48908,49022,49042,49043,49044,49153,49541,50100,50376,50836,50844,52288,53628,53784,54859,54862,54863,54875
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[Cl:6].[N:4]-[C:5]	113	1354,1601,1613,1614,2110,2279,2280,2284,2298,2299,2307,2308,2312,2324,2360,2361,2369,2381,2391,2406,2407,2409,2411,2416,2430,2439,2440,2441,3219,3895,3922,3929,3953,4091,4106,4221,4314,4404,4407,4483,4686,5550,5551,5882,7841,8018,9307,9347,9539,10050,10051,10493,10630,12086,12087,12362,13160,13437,16103,16279,16391,17328,17335,17337,17338,17339,17346,17353,17360,17596,21397,22319,22443,24467,25111,25975,26447,26449,26451,26530,26579,29659,29675,29677,29681,29686,30135,33446,33449,33556,33558,36744,36746,37868,38674,42133,43946,43953,43957,43967,43984,44001,44002,44003,44014,44015,44017,44024,44025,44036,44039,44040,51730
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[N:5]-[c:6].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	112	0,3239,6161,6922,7465,12258,13141,13493,14044,14187,14617,14618,16344,18623,19765,22963,23943,24345,25646,25647,25778,26187,27402,27794,28439,28641,29442,30249,33937,34584,34704,34813,36092,36093,36094,36095,36209,36212,36348,37253,37527,38146,38916,39181,39513,40263,40387,40388,42429,42464,42482,42483,42484,42498,42586,42654,42702,42705,42734,42736,43852,45179,45451,45453,45475,45477,45484,45487,45490,45493,45498,45501,45505,45506,45893,45894,45895,45928,45935,45991,45992,46023,46024,46078,46155,46157,46158,46159,46202,46209,48164,48533,48701,49024,49026,50443,50598,50668,50675,53544,53913,53921,53931,53933,54045,54293,54628,54851,54951,55406,55409,55586
+[C:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:8].[C:1]-[N:2]	112	1932,2912,3268,4455,4582,4968,4970,4981,5713,6398,6536,6540,6679,6685,9414,9426,9874,10222,11052,11069,11338,11339,11408,12172,12455,12456,12476,12610,12878,12879,13235,13515,14287,15441,15443,17757,17907,18605,18895,20056,20174,22061,22098,22146,22226,22227,22229,22233,22655,22697,23415,23549,23551,23683,25899,25994,26946,27435,29750,29841,30145,30178,30179,30200,30219,31106,32328,32461,32532,34651,36240,37047,37389,37752,37753,37861,37866,38326,39836,40610,40611,41766,41822,41823,41829,41861,41880,41885,41894,41940,42109,42121,42122,42125,43388,44288,48335,48506,48557,48577,48620,48889,49201,50211,51128,51606,52611,54333,54334,54335,54338,55631
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[C:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:7]	111	1251,1737,2938,3853,4293,4743,4936,4952,6682,6715,9207,9416,10341,10990,11011,11028,11029,11030,11637,11942,12179,12184,12471,12472,12473,12474,13206,14624,16087,17685,17751,17764,18036,18199,18263,18264,18742,18770,19487,20378,20497,21500,21740,21741,21774,22232,22647,22663,23883,23887,25645,26042,26744,26958,27680,27984,28573,29698,30160,30161,30162,30167,30989,32325,34511,36436,36437,37943,38144,38145,39130,39979,41793,41794,41795,41796,41802,41805,41806,41808,41827,41863,41933,42004,42108,42132,42142,42143,43033,43508,45468,45478,45479,45480,45481,45485,45486,45494,45908,45909,46077,46144,46156,48512,48565,48779,50943,52584,53546,53822,53929
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Cl:5].[c:1]-[O:2]	110	3059,3060,3061,3062,3063,3064,3065,3369,4156,4302,4345,4349,4352,4354,4358,4360,4366,4627,4822,4885,5212,5215,5226,5228,5794,5966,6136,6463,6998,8781,10133,10324,10829,11169,11272,11834,11835,12567,12601,12603,12922,12923,12924,12938,12940,12942,12943,12944,13242,13244,14369,14370,14371,14394,14396,14398,14399,14400,14485,16157,20723,21665,23871,24092,24394,25892,26983,28721,29318,29784,30978,31334,31941,32284,32285,32287,32288,32289,32290,32310,32316,32317,32318,32319,32320,32464,33399,34497,35052,36218,40229,40230,41600,43499,43663,43665,43666,43667,43668,43669,43670,43671,43672,43673,43674,43676,46852,50536,51729,52852
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9].[c:1]-[N:2]	108	3320,6033,7492,9822,9827,9868,9911,10353,11660,12640,13394,13489,14114,15853,15874,15970,16125,17688,18436,19101,20746,20790,20797,20820,21448,21449,21450,21928,24123,24211,25622,25623,27093,27134,27470,27471,27603,27723,29516,33456,34524,34753,36811,36935,36937,36938,36942,36943,36944,36982,36985,36990,36991,36992,36993,37003,38638,39044,39518,39662,39776,39911,40124,42400,42405,42437,42613,42686,42695,43543,43544,43577,43887,48361,48543,48708,48864,48865,48866,49089,49090,49483,49633,49776,49780,49781,49782,49783,50114,50140,50201,50205,50656,50676,50690,50691,50697,50776,51567,51658,52067,52850,52985,54869,55059,55708,56814,57165
+[O:1]-[C:2](-[C:3])-[c:4]>>[O:1]=[C:2](-[C:3])-[c:4]	107	2822,3076,3298,7041,10354,10363,12510,12555,12906,12973,13290,13293,14076,14084,14251,14274,16038,16387,18697,18737,18773,18774,19917,19931,22579,22580,25103,25145,26511,27361,27960,28717,28854,29422,29454,29868,31905,32403,34567,36005,36128,38281,38791,39094,39134,39270,39362,39415,41242,41702,42822,43249,43586,44546,46034,46042,47845,48093,48563,48815,48853,49096,49189,49642,50187,50566,50573,50764,50812,51056,51112,52003,52004,52017,52293,52459,52746,53210,53572,53573,53717,53719,53762,53898,54218,54226,54289,54708,54764,54774,55030,55222,55390,55995,56037,56166,56206,56346,56663,56755,56770,56771,56834,56873,56891,56894,57304
+[C:1]#[C:2]>>[C:1](#[C:2])-[Si:4](-[C:3])(-[C:5])-[C:6]	107	18326,23252,27967,33735,33736,33737,33738,33739,33740,33742,33743,33744,33745,33746,33747,33748,33749,33750,33751,33752,33753,33754,33755,33756,33757,33758,33759,33760,33761,33762,33763,33764,33765,33766,33767,33768,33769,33770,33771,33772,33773,33774,33776,33777,33779,33780,33781,33782,33783,33784,33785,33786,33788,33789,33790,33791,33792,33793,33795,33796,33797,33798,33799,33800,33801,33802,33803,33804,33805,33806,33807,33808,33809,33810,33811,33812,33813,33814,33815,33817,33818,33819,33820,33822,33823,33824,33825,33827,33828,33830,33831,33832,33833,33834,33835,33836,33838,33839,33840,33841,33842,33843,33844,33846,33992,34085,38870
+[C:1]-[O:2]-[C:3]>>[O:2]-[C:3].[C:1]-[I:4]	106	2178,2950,3940,7043,7394,8875,9089,9536,9817,10013,10240,11310,11446,11482,11501,11502,11542,11648,14175,14179,14571,15314,16319,17480,17566,18578,18594,18995,19024,19355,19736,19758,20385,21821,22001,22260,22271,22275,22323,22342,22485,22767,23035,23594,23700,24373,24747,24846,24940,25156,25176,26160,27880,31353,31362,31366,31367,31405,31454,31457,31503,31505,31545,31557,31572,31576,31577,31580,31581,31597,31641,31655,31656,31672,31674,31693,31735,31737,31738,31742,31743,31747,31748,31772,31775,31783,31791,31792,31793,31799,31801,31807,31813,31815,31823,31824,31825,31826,31833,31834,31837,31848,31853,31862,31863,31864
+[c:1]:[c:2](-[N+:3](=[O:5])-[O-:6]):[c:4]>>[c:1]:[c:2]:[c:4].[N+:3](-[O:5])(-[O-:6])=[O:7]	105	1864,6412,6854,7045,8806,9055,9101,9926,11543,11828,11984,12304,12869,15937,16427,17641,19766,20754,23091,25329,25371,25373,25383,25482,25537,25543,25675,25688,25858,25950,27461,28543,28829,28848,29390,29426,29521,29522,29766,29790,30268,33329,34428,34589,35931,36362,37237,37498,37517,37526,37726,38558,38747,40040,40389,43369,43896,44660,44664,44706,45892,46527,47597,47599,47601,47620,47628,47630,47631,47633,47641,47645,47648,47649,47655,47656,47659,47663,47669,47671,47677,47680,47681,47688,47689,47692,47696,47699,47700,47704,47705,47706,47714,47716,47720,47730,47731,47734,47739,47749,47751,47754,47756,47757,47766
+[N:1]-[c:2]>>[N:1](-[c:2])-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]	103	8011,18344,20656,20662,20664,20666,20667,20668,20670,20671,20672,20684,20685,20687,20693,20695,20697,20707,20710,20712,20717,20719,20722,20724,20725,20731,20737,20741,20742,20750,20751,20756,20758,20759,20771,20772,20774,20776,20778,20783,20785,20786,20794,20802,20816,20817,20822,20823,20830,24048,24051,24054,24056,24058,24059,24073,24085,24091,24094,24099,24101,24103,24106,24109,24110,24112,24117,24121,24122,24125,24126,24127,24129,24137,24138,24143,24144,24146,24148,24150,24159,24160,24161,24164,24169,24170,24171,24174,24175,24176,24178,24182,24185,24187,24189,24192,24196,24198,25410,28331,38525,38533,39123
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[c:3](:[c:4])(:[c:5])-[Br:7].[C:1]-[N:2]-[C:6]	100	1103,1104,1105,1106,1134,2566,2921,3290,3538,5737,6932,7024,7286,7287,7459,9626,9784,9982,10381,10382,11514,12753,13238,13657,13666,13713,13723,13869,14317,14358,14665,14718,14754,14760,14799,14800,14814,14989,14996,15037,15060,15075,15082,15099,15106,15108,15109,15126,15157,15173,15174,15245,15546,15576,15580,15662,15666,15672,15686,15690,15722,15744,15759,15805,16422,16429,16432,17642,18664,18713,19464,19515,19629,19660,19684,19686,19688,19722,20733,20734,20735,21436,22927,24791,24894,27047,27092,29387,29592,31952,36282,37392,38119,38706,38738,40175,43858,48773,51913,52330
+[c:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[c:1]-[N:2].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:7]	99	2206,2210,3037,3213,5446,5643,7120,7282,7882,9100,9843,10962,11241,11242,11244,11312,11359,11360,11409,11422,13318,14155,14232,14595,16474,17591,18516,19251,19293,19541,23984,25304,25605,25608,25744,27464,28601,28946,32392,32535,37247,37730,38532,42439,42441,42537,42549,42614,42664,42676,44281,44880,44898,44929,44936,44937,44938,44946,44947,44959,44962,44965,44977,44986,44989,44995,44996,45001,45012,45013,45016,45024,45052,45055,45059,45060,45061,45062,45083,45085,45089,45092,45093,45121,45128,45129,45130,45132,45331,45332,45335,45338,45340,45372,45424,45427,45428,45429,45578
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:8].[C:1]-[N:2]	97	1173,2527,3068,3420,4369,4397,4457,4471,5945,6098,6361,6698,6718,7454,7869,7893,7930,7959,8851,8868,8869,9984,10107,10267,10411,10802,10804,10819,10841,10934,11012,11022,11298,11299,11379,11396,12424,12584,13001,13458,13507,13509,13511,13512,14408,15460,15494,16135,16326,17502,17507,17775,17779,19051,19066,21626,21765,21970,22667,22904,24907,25385,25895,25904,25907,25988,26004,26209,26736,30985,32488,35982,35983,37398,37998,40004,40300,41886,41946,41960,41966,42011,42096,45552,45722,46213,46228,48508,49275,49765,49950,51743,52572,53395,54337,55629,55707
+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[C:1](=[O:2])(-[c:3])-[O:8].[Cl:4]-[S:6](=[O:5])-[Cl:7]	97	1781,4092,6352,6437,6806,7976,8936,11823,12230,14543,16067,25148,25333,25468,27017,28755,31336,33481,34413,35539,35550,35554,35559,35560,35563,35570,35572,35581,35587,35588,35589,35592,35594,35595,35608,35609,35611,35612,35614,35615,35620,35626,35628,35640,35642,35643,35644,35648,35650,35653,35655,35662,35663,35665,35667,35668,35669,35680,35683,35686,35688,35689,35690,35691,35693,35697,35701,35710,35723,35724,35727,35732,35738,35749,35752,35753,35754,35755,35758,35759,35760,35761,35763,35766,35769,35773,35787,35797,35801,35804,35816,35822,35823,35829,35833,35839,35850
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2](=[O:4])-[O:5].[N:3]	93	2815,4629,6378,6976,7304,7480,7590,7898,9262,10194,10455,10532,11082,17124,17368,17513,17518,17696,17702,18069,18549,18587,18627,18745,18989,19198,19288,19381,19858,19905,19959,20041,20048,20253,20745,22083,23226,23270,23304,23426,23455,23458,23467,23529,23735,23816,23975,24374,25737,25845,25896,25915,28661,32437,33530,36499,36843,37715,37745,37764,38006,39037,39493,40166,40661,40754,40756,40768,40769,40770,40780,40815,40832,40835,40836,40837,40838,40847,40873,40879,40885,40888,40889,40902,40903,40909,40913,40916,40927,40936,40947,40959,41004
+[N:1]-[C:2]-[C:3](=[O:4])-[N:5]>>[N:1](-[C:2]-[C:3](=[O:4])-[N:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	93	7983,12356,17310,17444,17453,17515,19844,19845,19850,19853,19855,19859,19861,19862,19863,19864,19879,19882,19883,19884,19893,19907,19919,19923,19926,19928,19963,20015,20030,20031,20042,20058,20064,20065,20088,20090,20096,20100,20145,20146,20168,20169,20287,20370,20371,20398,20399,20401,21600,23184,23189,23190,23192,23197,23198,23200,23246,23247,23248,23249,23250,23272,23301,23339,23340,23365,23421,23423,23425,23437,23441,23442,23452,23470,23501,23502,23516,23523,23524,23525,23542,23554,23561,23584,23709,23726,23728,23729,23730,23734,23736,37879,56145
+[C:1]-[C:2](-[N:3](-[C:4])-[C:5])-[C:6]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](-[C:6])=[O:7]	92	3205,3869,5040,5147,7023,7586,7587,7820,9168,9169,9173,9378,9465,9549,9559,9637,9704,9762,9796,9845,10157,10159,10177,10179,10182,10874,11549,11572,11670,11673,11904,11905,11906,11907,11908,11909,11916,11917,11918,11919,11920,11921,11922,11924,11925,11926,11927,12285,12346,12672,12735,12774,13345,13348,13357,13358,13651,13747,13765,13771,13809,13856,14459,14736,14770,14783,14865,14931,14935,14947,15094,15098,15620,15633,16131,16329,16330,16331,16333,16334,16335,19674,22371,22531,26340,27050,32575,38716,44323,49879,52290,54789
+[C:1](-[C:2])(-[C:3])=[O:4]>>[C:1](-[C:2])(-[C:3])-[O:4]	92	3556,7487,7612,8020,9280,9364,9384,9450,9484,9488,9959,10083,10116,10121,12117,12302,13572,13578,13584,15361,17230,17240,17567,17613,18749,18963,19890,20067,20097,21615,21950,22045,22289,22379,22768,22846,23520,23832,24038,24739,24932,25323,26026,26048,26125,26499,26680,27463,27465,27524,28546,28695,29532,29548,33887,34444,37403,37796,38148,39160,40182,40185,43718,44223,48293,48514,49619,50153,50242,51976,52073,52312,52375,52590,53372,53694,53854,54365,54372,54411,54538,55420,55944,56070,56243,56249,56494,56499,56505,56547,56932,57035
+[C:1]-[C:2](-[N:3]-[C:5])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:6].[N:3]-[C:5]	91	3207,4489,4572,5080,6048,6468,6911,6913,7055,7365,7452,7753,8880,9177,9311,9315,9382,9386,9389,9490,9878,9956,9994,10087,10113,10120,10163,10164,10165,10167,10983,10984,10985,11664,11665,11666,11667,11668,11914,11997,12333,12338,12339,12340,12342,12947,13343,13344,13360,13366,16327,17805,18703,18887,18962,22501,22513,22525,22751,22801,23894,26306,26318,26324,26326,26336,26343,26346,26347,26617,28699,28884,29967,30155,30190,30215,33305,33426,33427,36288,36732,37225,37226,41768,41774,41840,43803,43828,45169,45170,53693
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:3]	91	3580,3880,5726,5733,5787,5812,6002,7300,7745,7941,9106,9376,9816,10010,10410,12665,14269,14450,14633,16080,16500,17699,18608,18861,18940,19786,19825,20234,20594,21984,23381,24386,24767,26280,26492,26862,27826,27828,27829,28655,34019,34190,34573,35868,36253,38171,38971,39170,39285,39312,39652,40138,40171,43232,43240,43519,43520,43710,45250,45633,46231,46279,48264,49267,49462,49495,49772,49850,50026,50039,50521,51324,51516,51676,51868,52112,53026,53264,53690,54301,54457,54900,55430,55653,55664,56223,56519,56817,56821,56945,57104
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:8].[c:1]:[c:2](:[c:7])-[B:10](-[O:9])-[O:11]	90	1044,1092,1095,1148,1149,1154,1202,5223,7313,7314,10412,10967,11221,11274,11436,11798,12882,13369,13977,15847,16148,19145,19246,19317,22964,24219,26178,26179,26837,27746,27823,28834,29347,29498,29733,31338,37450,37919,38065,38924,39120,39377,39385,39608,39933,40167,41694,42373,42374,42376,42379,42491,42796,43785,43787,44199,45147,45377,45727,46414,46428,46453,46475,46515,46520,46532,46535,46545,46550,46552,46611,46619,46657,46683,46685,46723,46731,48528,49445,49574,51249,51399,51898,51904,53410,53413,53416,53420,53421,53610
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N:4]-[c:5]	90	1823,1837,1840,1845,1853,1857,3870,3876,5375,5421,6550,6641,7696,8058,10402,11858,11862,12224,15940,16054,16100,17820,19278,19287,22337,22595,23112,25061,25391,26817,26819,27253,27255,27256,27257,28414,30011,30012,30278,30774,30776,30777,30781,30786,30791,30794,30795,30796,30797,30798,30799,30819,34856,41575,42420,42499,42545,42580,42650,43055,43113,43237,45547,46931,47356,48219,48985,49051,49486,49878,50516,50552,50654,50872,51504,52555,52556,52558,52560,53020,53272,53289,54366,54852,55197,55366,56619,56952,56955,56956
+[c:1]:[c:2]:[n:3]:[c:4](-[O:5]-[C:6]):[c:7]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[Cl:8].[O:5]-[C:6]	90	1928,4177,4598,4600,4601,5143,5193,5278,5316,5944,6106,8035,9031,9073,9404,10102,10278,10288,10908,10914,10915,10918,11790,12528,13566,14090,14509,14900,15968,19025,19165,19173,20575,22245,27039,30267,30313,30325,30343,30446,30469,30490,31240,31241,31310,31311,32378,32381,32724,32748,32759,32798,32822,32848,32893,32926,32929,32931,32933,32937,32991,32995,32996,33012,33039,33042,33055,33105,36215,36780,36781,37899,37902,37903,37906,42575,43509,43729,46994,46999,47003,51861,52212,52303,52474,53794,54638,54671,54683,57200
+[C:1]-[N:2](-[C:3])-[S:4](=[O:5])(=[O:6])-[c:7]>>[C:1]-[N:2]-[C:3].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:8]	90	3126,3148,4732,4967,5735,6834,6920,6921,7013,7026,7812,7966,8034,9581,9600,9607,9653,9698,9708,9983,11180,11526,11556,11949,12721,13065,13690,13694,14719,14743,14788,14854,15076,15132,15229,15351,15631,15632,15636,15638,15640,15642,19638,19652,19653,19655,19713,20323,20325,21738,21754,21770,21911,22384,23622,23999,24962,25648,26261,26590,26603,26642,26799,26800,27094,27103,29576,32465,32591,32592,32593,32601,32666,32669,32700,32702,33227,36726,37981,38766,38915,38969,39336,39523,45351,45483,50246,53561,54712,55177
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[Cl:6]	90	3659,3789,4147,4324,4364,4461,4501,4588,4774,5241,5552,6662,7455,7768,8894,9265,9349,10196,10745,10850,12387,12988,13234,13553,14007,14357,16017,17778,18827,19488,20515,21951,22154,22315,22438,22758,23082,26029,30136,30185,30198,30210,30212,31914,33559,34021,34481,35870,36281,36320,37383,37434,37435,37867,38086,38390,38888,38900,38982,39396,39397,39399,41428,41854,41871,41872,41905,41906,43427,45162,46247,46950,48286,48287,48498,48509,48756,49507,50467,51322,51489,52080,53528,53599,53600,53754,53821,55127,56041,56044
+[c:1]:[c:2](-[C:3](=[O:4])-[C:5]):[c:6]>>[C:3](=[O:4])(-[C:5])-[Cl:7].[c:1]:[c:2]:[c:6]	89	627,1698,1719,2273,2288,2292,2302,2311,2343,2383,2389,2392,2421,2434,2446,3831,3927,3928,4082,4304,4305,4313,4762,4765,4768,5571,6459,6791,7072,7073,7447,7516,9850,12368,12370,12371,12407,12408,13404,16084,17625,25687,26276,26455,26583,28768,29429,29434,29470,29473,29509,29607,29664,29665,29668,29674,29684,29826,33339,33524,33538,35877,36042,36180,36454,37492,37515,37529,37531,43256,43947,43948,43951,43959,43968,43969,43976,43979,43988,43990,43993,44000,44023,44029,51757,52219,52221,52222,52827
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](=[O:3])-[O:5]-[C:4]	87	2790,3563,3885,7393,7906,7910,7913,7914,10132,10474,11485,11642,12038,12556,13262,15309,15312,16059,17235,18828,18954,18955,19908,19966,20075,20215,21583,21799,21966,22113,22431,22464,22468,23431,24926,25630,25947,26268,26679,26683,27363,33328,34372,36376,36731,37757,38029,38386,40190,41344,43037,43938,45178,47337,48135,48280,48785,48868,49398,49617,50531,50933,51166,51373,51973,51998,52134,52390,52706,52873,53078,53085,53348,53483,54016,54199,54253,54455,55761,56149,56174,56329,56485,56523,56584,56960,57362
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:9]	87	3202,4405,4491,4592,4964,4969,4974,4977,5020,5240,5255,6673,7894,9225,9308,9400,9423,9489,9835,10816,10902,11075,11147,11268,11340,11341,11614,12174,12945,13229,13547,14417,14562,17758,18255,18261,18790,19064,19069,19421,21514,21565,21566,22144,22147,22636,22907,23591,25779,25985,26971,27433,27434,27804,28693,29760,29894,29975,30990,32280,32330,33240,34198,34654,37008,39844,39845,40043,41763,41902,41932,41959,41965,42088,42090,42134,45630,45642,48197,48541,52456,53294,54284,54400,54416,56281,57141
+[C:1](-[C:2])(-[C:3])=[O:4]>>[C:1]-1(-[C:2])(-[C:3])-[O:4]-[C:6]-[C:5]-[O:7]-1	87	9149,9151,9153,9155,9156,9157,9159,9160,9162,11488,11497,11504,11505,11506,11545,11561,11563,11565,11566,11567,13312,13315,13317,14288,15264,15272,15313,15315,15317,15320,15322,15325,15331,15332,15341,15345,15346,15348,15349,15355,15356,17281,21381,21870,27129,34467,37204,38633,39573,39789,43789,43800,43802,43808,43814,43815,43816,43819,43839,43840,43841,43842,43844,43847,43848,43849,43851,43854,43855,43856,43866,43867,45703,52185,52248,52291,53363,53453,54060,54220,54288,54745,54747,54905,56179,56448,56589
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](=[O:3])-[O:5]-[C:4]	84	1899,3517,5009,6291,11276,11649,13250,13308,14427,19448,20600,22446,24710,25040,25120,25248,25403,27854,28586,28838,28849,29997,33287,34337,34472,34570,35995,36108,38506,39213,39276,39277,39702,42432,42479,43114,45347,45684,45714,48189,48210,48273,48556,48802,49101,49247,49251,49252,49261,49339,49871,50043,50044,50139,50193,50418,50481,50710,50726,50977,51358,51444,51601,51706,51882,52442,52686,53047,53084,53321,53638,53641,53770,53809,55850,55870,55956,56481,56727,57148,57198,57259,57260,57284
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[c:3](:[c:4])(:[c:5])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16]	84	5926,10110,10118,10648,10677,10707,10727,10875,10880,10881,13619,14055,14572,21768,24034,24228,25209,25912,27149,27233,27236,27963,28315,28318,28327,28342,28351,28363,28368,28369,28374,28390,28402,28403,28412,28413,28430,28432,28435,28442,28448,28449,28450,28462,28468,28475,28962,28966,28967,28968,28969,28990,28996,29018,29019,29054,29056,29076,29086,29087,29113,29117,29121,29122,29123,29124,29125,29126,29127,29128,29129,29130,29143,29147,29152,29153,29172,29185,29188,29190,29195,29212,29226,29240
+[C:1]-[C:2](-[O:3])-[C:4]>>[C:1]-[C:2](=[O:3])-[C:4]	81	3407,4020,5454,7493,7582,7904,7909,8821,8844,9146,9170,9190,9193,9277,9284,9285,9337,9566,10552,10883,10959,11458,13365,13398,14101,16369,16805,17279,17313,17321,17322,17473,17486,20057,20207,20217,20359,20869,21380,22084,22353,22425,22429,22553,23178,23775,24681,26162,28686,28741,29655,33429,34990,43036,43823,44452,47790,49325,49757,49877,49919,50577,51292,51408,51972,52266,53014,53751,54067,54070,54175,54186,54902,55040,55153,55218,56205,56208,56348,56354,57373
+[O:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N:4]-[C:5]	80	1792,1812,1813,1815,1816,1825,1831,1833,1835,1836,1843,1844,1847,1852,1861,1866,3744,3918,4146,4958,5248,5251,6279,8846,8892,9208,9345,9500,10803,11062,11624,13059,13170,15337,17128,17717,18673,20091,22432,22434,22437,22481,23211,23366,23368,25926,26423,26689,27785,29728,30802,30809,30811,30814,30821,39681,41954,42001,42010,42081,42123,43052,43923,44863,45393,49854,49884,50344,51754,51830,52553,52554,52562,53388,54279,54943,55085,55086,55087,55194
+[N:1]-[C:2]>>[N:1](-[C:2])-[C:4](=[O:3])-[O:5]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	80	7147,9457,9958,10810,11072,11481,14078,15340,18660,18834,18935,19981,19983,20524,21624,21851,22442,23574,23721,23762,23785,23831,23854,23905,24809,26645,29342,32503,38131,38673,39585,39915,39978,45330,51329,51738,52453,52523,52524,52527,52528,52529,52591,52593,52594,54781,54790,54992,55267,55915,56058,56433,56442,56444,56446,56450,56452,56457,56458,56459,56460,56525,56528,56530,56532,56533,56534,56535,56536,56537,56541,56542,56543,56544,56545,56546,56550,56551,56552,56553
+[c:1]:[c:6]:[n+:4](:[c:3]:[c:2])-[O-:5]>>[c:1]:[c:6]:[n:4]:[c:3]:[c:2].[O:5]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1	75	2925,4667,6220,6898,7246,7502,7957,10154,11155,12490,13269,17519,17704,17798,18279,19938,20569,23673,24044,25165,25166,27338,27634,33241,34380,34725,36021,36199,36267,36543,36544,36547,36552,36555,36576,36578,36580,36582,36583,36589,36590,36594,36598,36600,36601,36603,36604,36605,36607,36608,36612,36616,36618,36641,36643,36647,36653,36666,36672,36674,36675,36679,36695,36700,36701,36702,36703,36704,36705,36707,36713,36714,36719,36720,36721
+[n:1]:[c:2](-[O:3]):[c:4]>>[n:1]:[c:2](-[O:3]-[C:5]):[c:4]	74	2920,6145,7226,7537,10312,10485,10486,11159,12269,13427,15470,15475,17166,25357,25496,25509,25793,27013,27815,27861,28778,32354,33584,33592,33594,33599,36197,36444,36521,38009,38488,38559,38895,39797,39896,39989,40130,40141,40212,42663,43316,43317,43533,43534,44528,46240,48667,50017,50118,50154,50261,50387,50404,51065,51069,51573,51616,52920,53130,53251,53284,53310,54367,54668,55007,55417,56557,56935,57046,57201,57220,57261,57262,57301
+[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[N:7]-[C:8]>>[N:7]-[C:8].[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[Cl:9]	74	4223,4403,4434,4937,4965,5235,5708,5960,6676,7227,8896,9204,9417,9909,10216,10223,10527,12317,13504,14052,14410,15279,15385,18422,19061,20488,20539,22241,22638,23132,23884,23898,23899,24717,25906,25992,25995,26961,26965,27012,27276,27800,29724,30138,30151,30180,30193,30243,30993,32352,32474,34268,34642,34643,34644,35947,35978,36270,36274,36276,36910,41835,41844,41845,41951,43530,46855,46948,48998,49263,49734,49998,50133,52954
+[c:1]-[N:2]>>[c:1]-[N:2]-[C:4](-[C:3])=[O:5]	73	2940,6041,7240,8807,10961,12861,15435,15525,15903,25322,25544,25703,25949,26176,27925,27930,28571,28772,29507,36067,38501,38514,38954,41558,43258,43595,44296,48069,48313,48534,48723,48731,48732,48733,48817,48828,49058,49060,49150,49287,49288,49307,49349,49355,49424,49528,49538,50009,50024,50433,50685,50686,50842,50886,50898,51581,52180,52864,53580,54566,54939,54940,54942,55427,55441,55444,55804,56359,56635,56638,56879,57175,57249
+[c:1]-[C:2]-[N:3]>>[c:1]-[C:2]#[N:3]	73	3539,5113,5928,5996,11305,13599,14059,15479,17367,18337,19504,20147,21548,21579,22932,23664,24677,25223,26102,26146,26288,26903,27476,29343,31890,33230,33459,34038,34492,36113,37393,37571,37763,37834,38058,38351,38662,38829,38830,39223,39263,39520,41341,45175,45655,47421,49083,50223,50466,50725,51168,51700,51772,52959,52986,53031,53547,53866,54074,54592,54657,54921,55258,55259,55422,55454,55657,56508,56938,56942,56970,57159,57251
+[C:1](-[C:2](=[O:3])-[O:4])=[C:5]>>[C:1](-[C:2](=[O:3])-[O:4]-[C:7]-[C:6])=[C:5]	72	3286,3293,6196,6466,6751,10868,11112,11114,11115,11410,11762,12098,14201,15170,16356,16505,17514,18297,18392,19958,20000,25585,25943,25945,26518,26848,27014,28622,28650,28654,28659,28663,30585,30925,30927,30930,36912,37151,37737,38812,38875,39308,39814,39852,39853,39983,41635,43383,43540,45856,46142,49354,49894,50501,50634,51964,52069,52114,52739,52869,53166,53833,54081,54526,54732,54733,54890,55276,55706,55993,56921,56972
+[C:1](-[c:2])-[Cl:3]>>[C:1](-[c:2])-[O:5].[Cl:3]-[S:7](-[Cl:4])=[O:6]	71	1075,4649,5063,5352,5366,5369,5380,5383,6081,6345,6455,9131,9562,12104,12951,25228,27607,34302,34305,34306,35541,35542,35564,35567,35571,35573,35584,35585,35605,35606,35630,35647,35652,35654,35658,35666,35672,35673,35675,35679,35684,35694,35695,35698,35703,35705,35708,35717,35719,35720,35730,35739,35747,35765,35777,35778,35779,35780,35781,35783,35806,35807,35808,35813,35814,35828,35834,35835,35840,35841,35845
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2]=[O:5].[N:3]-[C:4]	70	1331,2031,2033,2036,2053,2471,4417,4465,6223,6529,6533,7014,7125,8824,8967,9413,9998,10999,11060,11733,11979,12247,12388,12460,13232,14566,15510,17687,17791,18507,18670,18677,18707,18787,18966,18981,19032,20863,21989,22019,22097,22219,22382,22467,23382,23388,23818,23819,24687,24817,26260,26672,29800,29803,33433,33444,33505,34080,36725,37949,41622,41814,41923,41941,41947,42098,45155,54364,55837,56265
+[O:1]=[S:2](=[O:3])(-[C:4])-[N:5]-[C:6]>>[N:5]-[C:6].[O:1]=[S:2](=[O:3])(-[C:4])-[Cl:7]	69	1355,1557,3572,4220,4984,4987,4988,5962,6034,6355,6362,7498,8830,9140,9435,9853,10838,11236,11238,11240,11243,11247,11421,12200,12238,12542,13465,13943,18402,18698,21784,22050,23468,23665,23784,27903,29430,30980,36004,36018,38682,39717,39879,39901,41464,41792,41998,44844,44931,44942,44955,44956,44964,44972,44990,45094,45100,45108,45342,45345,45416,45417,45419,45422,45423,45425,45430,45433,54468
+[C:1]-[N:2](-[C:3])-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[N:2]-[C:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:8]	69	5047,7664,9677,9679,9696,9700,9719,9729,9731,9735,9736,9754,9760,9765,9769,9797,11237,11248,11955,12103,14142,14739,14810,14845,14892,14930,14934,14946,14950,14984,15191,15215,16195,16199,17512,18368,19141,19606,20417,21818,26801,27479,28795,29903,32705,37954,39033,39796,41659,44203,44882,44901,44939,45006,45018,45032,45056,45070,45081,45086,45087,45110,45116,45123,45133,45333,45339,45343,45344
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]=[O:5].[N:2](-[C:3])-[C:4]	69	5453,7085,7141,7251,7466,7693,8044,9681,9774,9792,9798,9802,9985,9988,11098,11171,12508,12538,14829,14883,14962,14969,14983,16212,16440,16585,16586,16596,16599,16601,16611,16655,16671,16673,16675,16681,16687,16700,16702,16703,16706,16713,16714,16718,16721,16723,16727,16731,16732,16735,16736,16737,16740,16744,16745,16747,16748,16753,16754,16757,16758,16761,16762,16764,16765,16767,16768,16769,16770
+[Br:1]-[C:2]-[C:3]>>[Br:1]-[C:5](-[Br:4])(-[Br:6])-[Br:7].[C:2](-[C:3])-[O:8]	68	469,470,471,472,473,474,475,476,477,478,479,480,484,485,486,487,489,491,492,493,494,495,496,497,498,499,503,506,507,509,512,515,517,519,520,521,523,525,527,528,530,531,533,534,535,536,538,539,541,543,544,549,550,552,553,555,556,557,561,563,565,566,567,568,570,571,572,574
+[C:1]-[N:2](-[C:3])-[C:5](=[O:4])-[c:6]>>[C:1]-[N:2]-[C:3].[O:4]=[C:5](-[c:6])-[Cl:7]	67	1559,3129,3919,4784,4786,6165,6635,7623,7813,7856,9636,9654,9663,9702,9960,9989,10127,12724,12756,13032,13241,13541,13788,13830,13879,13898,13906,13908,14318,14862,14943,15134,15140,15164,15190,15218,15421,15713,16169,17316,18881,19142,19632,20477,20529,23856,23911,24969,26439,26703,32595,32612,32689,33412,36318,37206,41245,41690,48933,51781,52235,52957,53587,53588,53601,56045,56046
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3]-[c:4].[C:1]-[C:2]-[I:5]	67	1893,4094,4207,4208,4374,4656,6138,6172,10674,10831,11932,12014,17681,19044,20536,20576,20826,21663,21912,23359,24116,26661,26685,27289,27310,27606,29383,29409,29886,29888,29942,29949,29953,29954,29955,29956,29957,29961,29963,29965,30037,30044,30055,30057,30060,30065,30066,30067,30069,30070,30072,30074,30075,30076,30078,30080,30083,30088,30089,30090,30093,30097,30102,30108,30122,30126,31211
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[C:9]>>[C:1]-[N:2]-[C:9].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:10]	66	3092,3098,3121,5313,5317,5428,7010,7021,7022,7228,7821,7822,7899,8046,8047,9583,9605,9642,9643,9658,9675,9680,9745,10325,11524,11752,12695,12775,13278,13886,14825,14826,14827,14830,14863,14921,14922,14923,14968,14992,15058,15115,15529,15554,15558,15559,15735,16214,16227,19407,19710,25485,28763,29554,29568,32687,34690,36425,37037,38107,38402,43863,49450,54061,56893,57290
+[C:1]-[O:5]>>[C:1]-[O:5]-[C:2]-[c:9]:1:[c:3]:[c:4]:[c:6]:[c:7]:[c:8]:1	66	11142,13210,17743,17803,18853,18978,20095,20140,21730,21825,21974,22682,22757,22983,23487,23492,23716,24369,24714,24807,24850,26419,29269,34221,37580,37813,39359,39849,44843,46266,51774,51827,52164,52610,52613,52618,52619,52620,52621,52626,52628,52630,52633,52634,52958,53975,54019,54343,55415,55770,56117,56573,56574,56575,56580,56583,56594,56595,56596,56597,56600,56601,56603,56604,56605,57031
+[c:1]:[c:8]:[n:7]:[c:3](:[c:2])-[c:4](:[c:5]):[c:6]>>[c:1]:[c:8]:[n:7]:[c:3](:[c:2])-[Br:9].[c:4](:[c:5])(:[c:6])-[B:11](-[O:10])-[O:12]	65	1058,1126,1717,1924,12421,13978,15933,22034,24279,25042,27569,27760,27899,29483,32496,34394,34684,34685,36920,38698,39127,39367,39373,39374,39611,42393,42526,42662,43612,43613,44792,44854,46030,46407,46426,46432,46459,46490,46585,46591,46604,46608,46616,46656,46669,46670,46675,46692,46693,46727,46732,48266,48277,48387,48714,49530,50455,50581,51243,51481,51514,53423,53447,54110,57029
+[c:1]:1:[c:2](-[Cl:3]):[c:4]:[c:5]:[n:6]:[c:7]:1>>[c:1]:1:[c:2](:[c:4]:[c:5]:[n:6]:[c:7]:1)-[O:12].[Cl:3]-[P:9](=[O:8])(-[Cl:10])-[Cl:11]	65	3326,3935,3936,6139,10649,11400,12929,14033,14051,15942,25664,27806,28678,29773,32493,33572,33787,34264,35183,35209,35213,35219,35235,35249,35261,35273,35274,35279,35301,35313,35316,35318,35319,35330,35331,35332,35338,35349,35350,35351,35364,35373,35382,35383,35385,35386,35393,35394,35411,35413,35420,35430,35463,35474,35476,35478,35497,35498,35499,35500,35501,35505,35506,35531,35533
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:6])-[I:7]	64	1334,1339,1342,1344,1346,1348,1351,1358,1359,1366,1367,1371,1372,1385,1386,1388,1389,1390,1398,1406,1407,1408,1409,1410,1412,1413,1415,1416,2174,4616,4949,6250,7187,7495,10572,10662,11723,11724,12102,12914,13368,17268,17270,18415,20073,20436,22855,25368,25369,25465,28748,28749,31944,32244,32245,36858,37241,45408,49282,49729,50266,50955,51922,54230
+[C:1](-[O:2])-[C:3]-[N:4]-[C:5]>>[C:1]-1-[O:2]-[C:3]-1.[N:4]-[C:5]	63	2818,2828,2835,3370,4008,4151,4449,4456,4469,4470,5038,6320,7212,7867,9971,10451,11165,11797,12281,14188,14484,15795,17738,17761,17784,17785,17786,19402,19976,20003,20035,20061,22656,22664,24698,24808,26009,26947,27294,29792,29968,29969,30140,31942,33526,34613,35967,37697,37840,39639,41857,41883,43479,43659,43690,43692,43694,49480,50105,54282,55681,56052,56275
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9]	63	3095,3146,3152,4238,4520,4533,4994,5301,7020,7367,7653,7739,7805,9596,9639,9771,10560,11128,11595,12713,12717,12770,13009,13016,13017,13018,13692,13763,13782,13783,13821,14683,14691,14766,14804,14811,15184,15189,15192,15203,15627,15634,15635,16423,17472,19651,20316,27648,29561,30935,31972,32588,32589,32590,32596,37271,37543,37680,41684,45222,45230,54068,54559
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[c:1]-[N:2].[C:3](=[O:4])=[N:5]-[c:6]	63	4183,9257,10701,11225,11297,12377,13992,14380,14565,15956,19285,20509,24315,25376,25616,25694,26756,26793,27891,31893,32270,32340,32374,34427,35890,35891,35915,36779,36861,36862,38375,38553,38554,39007,39008,39050,39177,39224,39225,43140,44559,46715,48910,48911,49023,49027,49037,50409,50665,50859,51789,52881,52882,52883,52884,52886,52887,54795,54796,54797,54849,54929,54930
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4]-[c:5].[C:1]-[C:2](=[O:3])-[O:9]-[C:7](-[C:6])=[O:8]	62	2541,9011,13976,16247,16859,16871,16872,16874,16875,16878,16880,16881,16891,16892,16893,16896,16904,16905,16906,16907,16908,16909,16910,16911,16912,16934,16936,16938,16944,16950,16951,16959,16961,16968,16972,16979,16981,16982,16983,16986,16987,16990,17000,17024,17027,17030,17031,17041,17045,17046,17047,17048,17049,17050,17064,17085,17095,17096,17100,17103,17107,17108
+[c:1]-[O:4]-[C:3]-[C:2]>>[C:2]-[C:3]-[O:5].[c:1]-[O:4]	62	3376,3452,4612,5004,5158,5189,5260,5268,5269,5270,5273,5274,5558,5559,5648,5650,5652,5971,6210,6971,10098,10131,10478,11342,12613,12614,12623,12837,13050,13181,14111,15838,15839,15840,15841,18304,18798,22617,23090,24172,25477,26283,26813,30247,30304,30444,33309,34522,36335,36336,37758,37829,38079,39084,39842,46959,47353,48378,49711,50864,51344,51423
+[O:1]=[C:2](-[O:3])-[C:4]=[C:5]>>[O:1]=[C:2](-[O:3]-[C:6])-[C:4]=[C:5]	62	3666,3673,7857,7968,9115,10878,11546,12392,12576,12585,13294,16450,16457,16493,18918,22780,22794,22860,23931,24084,27693,29711,32498,36072,38303,38898,39143,39144,43145,45672,45981,46146,46147,46301,46306,48359,48426,49382,49434,50363,50588,51061,51268,51335,51506,51534,51705,52411,53015,53025,54032,54033,54092,54426,54744,55080,55149,55277,55278,55410,56060,56750
+[C:1]-[O:2]-[C:3]=[O:4]>>[O:2]-[C:3]=[O:4].[C:1]-[O:5]	61	1099,1879,1911,6231,6270,6661,13057,14588,15339,17385,23972,25352,27301,27951,32713,32722,32723,32744,32756,32758,32790,32792,32796,32813,32814,32817,32819,32820,32821,32823,32845,32846,32856,32858,32859,32865,32868,32878,32880,32892,32916,32922,32944,32946,32960,32972,32974,32982,32984,33008,33025,33041,33043,33046,33054,33062,33074,33085,33146,33194,33196
+[C:1]#[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]#[C:2].[c:3](:[c:4])(:[c:5])-[I:6]	61	1432,1437,1439,1442,1451,1452,3257,6175,10111,10958,11070,11227,11228,11319,11355,13416,17244,21756,23717,24071,24076,24077,24078,25309,27268,27380,27409,27410,27752,28645,29475,29493,30237,30238,34227,34237,36856,36859,38321,40600,49053,50444,50480,50629,50632,50986,51021,51302,51632,51801,52449,53218,53503,53505,53608,54099,54112,54113,54826,54829,54834
+[C:1](=[O:2])(-[C:3])-[Cl:4]>>[C:1](=[O:2])(-[C:3])-[O:8].[Cl:4]-[S:6](=[O:5])-[Cl:7]	61	2109,4007,4071,4623,4735,6598,8814,9851,10494,10513,10814,12049,12226,12411,13413,16102,17224,17729,25428,26274,26525,27988,28618,28742,33467,34405,35029,35545,35548,35549,35552,35553,35555,35558,35562,35577,35586,35613,35649,35659,35671,35687,35692,35700,35706,35709,35714,35722,35725,35742,35745,35756,35762,35771,35772,35796,35803,35809,35810,35815,35848
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])-[Br:6]	61	2139,2140,2169,3208,3874,4527,4536,5305,6099,6214,6420,6427,6486,6506,8043,9580,9590,9629,9712,9718,9761,12214,12747,13743,13845,14666,14870,14904,14951,14990,15008,15154,15224,15242,15555,15566,18717,19135,19633,24334,26027,26539,27352,27362,27893,27894,28669,28796,31970,32573,32625,32649,38161,39255,39441,45604,48228,49439,51001,54063,54533
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2]-[Br:5].[N:3]-[C:4]	61	2892,3898,4165,4260,4262,4263,4421,4435,4437,4453,4459,4460,4463,4591,4669,5589,5775,6061,10657,10847,11047,12458,16065,20481,21914,23896,24697,26945,26957,29381,29972,29979,30241,30969,33954,38655,39548,40116,40117,41815,41839,41878,41908,41915,41926,41930,42101,42102,43414,43441,43486,45171,46829,48846,49368,49985,50070,54228,54286,54563,56278
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[C:4](-[C:5])-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9].[N-:1]=[N+:2]=[N-:3]	61	7347,7991,9380,13176,17482,18979,19965,19979,20198,20542,21729,21994,22085,22137,22283,22317,22930,23067,23534,23642,23830,24338,24720,24923,39653,45195,45198,45201,45202,45203,45204,45205,45206,45207,45208,45209,45210,45216,45217,45264,45862,45866,45868,45870,45875,45876,45878,47945,47950,47957,47968,47975,47985,47988,47992,47999,48000,48017,48031,48041,48050
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[I:7].[c:3](:[c:4])(:[c:5])-[B:9](-[O:8])-[O:10]	61	11725,11894,16104,17883,21748,23511,23512,23513,23514,24065,24066,24067,27458,27624,27625,27954,33326,33327,33480,33879,36175,36268,36363,37284,37711,39030,39370,39375,42687,45653,45654,46408,46416,46437,46438,46465,46471,46513,46549,46569,46570,46603,46606,46612,46618,46620,46626,46639,46678,46720,47415,48694,48725,48833,51026,51104,51105,51106,51561,53445,54263
+[O:1]-[N:2]=[C:3]-[c:4]>>[C:3](-[c:4])=[O:5].[O:1]-[N:2]	60	6189,6190,7210,10951,11804,13625,18238,18427,19223,21759,24466,27529,28901,28903,29419,29461,31207,33253,33254,33258,33262,33264,33267,36168,36947,37769,37885,38177,39353,39437,40372,44625,44626,44658,44663,44677,44694,44803,44821,45523,45926,47026,47027,47028,47029,47045,47067,47068,47075,47121,47124,47125,47126,47127,47137,47148,47151,47153,47155,47161
+[c:1](:[c:2]):[n:7]:[c:4](:[c:3])-[O:5]-[c:6]>>[O:5]-[c:6].[c:1](:[c:2]):[n:7]:[c:4](:[c:3])-[Cl:8]	59	1,2907,5132,5610,5612,5727,7715,9502,10563,11286,11740,12593,16117,16273,16367,20360,21747,22035,23092,23093,23914,25689,26143,26704,31108,31110,31111,34490,34645,34647,34648,34681,36494,36916,36917,36927,37236,37379,37658,38878,39022,39023,39273,39838,40132,44627,44787,48617,48736,48883,48885,48888,49812,50851,52929,54140,54296,54583,55947
+[c:1](:[c:2]):[n:5]:[c:4](:[c:3])-[Cl:6]>>[c:1](:[c:2]):[n:5]:[c:4](:[c:3])-[O:11].[Cl:6]-[P:8](=[O:7])(-[Cl:9])-[Cl:10]	59	1053,11768,14291,27265,27597,27802,27865,31137,31250,32525,33440,34342,34675,34676,35180,35182,35187,35202,35208,35226,35227,35238,35241,35246,35252,35255,35256,35269,35270,35286,35287,35288,35291,35296,35300,35306,35307,35314,35321,35329,35339,35392,35397,35398,35400,35410,35414,35423,35431,35438,35443,35449,35467,35472,35484,35491,35502,35507,35523
+[C:1](-[c:2])(=[O:3])-[Cl:4]>>[Cl:4]-[C:8](-[C:6](=[O:5])-[Cl:7])=[O:9].[C:1](-[c:2])(=[O:3])-[O:10]	59	2573,2576,2582,2596,2602,2603,2608,2611,2612,2613,2614,2631,2632,2634,2636,2637,2646,2651,2654,2656,2657,2666,2668,2669,2671,2675,2682,2685,2686,2688,2689,2690,2691,2693,2694,2696,2697,2698,2702,2703,2704,2705,2708,2709,2710,2712,2714,2725,2726,2727,2728,2730,2734,2739,2740,2747,2749,2750,2757
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2].[C:3](-[c:4])-[Cl:5]	58	1084,3244,3359,3361,3397,4896,5923,6201,6202,9130,9916,10148,11568,11826,11881,16414,21651,21652,25065,25545,25600,27026,27661,29838,33540,33563,34350,36143,36420,39046,39101,40064,40259,40349,48539,48544,48912,48917,48986,49047,49298,49316,49407,49427,50329,50364,50365,50548,50645,50792,51101,51102,51641,51666,51688,52285,54318,54581
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	58	1897,1935,6399,10418,11138,11423,13993,14190,19320,21392,22495,22997,27862,27864,31107,31164,31165,33582,35885,36026,36304,36305,36907,36928,37070,38000,38064,38134,38152,38630,38877,39048,39133,39366,39604,39605,39609,43618,45635,46468,46469,46494,46523,46534,46586,46647,46680,46734,46735,48346,48532,48884,50612,51397,51643,51892,51911,54697
+[C:1](=[O:2])(-[C:3])-[Cl:4]>>[Cl:4]-[C:8](-[C:6](=[O:5])-[Cl:7])=[O:9].[C:1](=[O:2])(-[C:3])-[O:10]	58	2457,2467,2572,2577,2578,2579,2580,2585,2586,2587,2588,2590,2591,2592,2593,2594,2595,2600,2601,2605,2606,2607,2609,2615,2617,2618,2620,2633,2639,2649,2655,2663,2670,2678,2679,2683,2692,2700,2701,2706,2713,2715,2718,2719,2721,2722,2731,2733,2735,2736,2738,2742,2745,2748,2751,2752,2754,2759
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[n:7]>>[c:1]:[c:2](-[N:3]):[n:7].[C:4](=[O:5])(-[C:6])-[O:8]	57	1460,3914,6219,6221,6246,6546,6650,6867,6968,6969,10193,11415,11712,12106,12108,12110,12129,12131,12351,13225,13961,13963,17658,19906,21656,21804,22564,22592,23307,23308,24805,25177,25378,25401,25515,25755,26067,26068,26069,26593,26639,27858,29358,31222,31223,31226,36931,37756,38166,38497,41288,42567,49821,49822,49977,50739,53375
+[C:1]-[C:2]#[N:3]>>[C:1]-[C:2](-[N:3])=[O:4]	57	1466,2902,6981,8826,9261,17498,17691,17692,18071,18775,18782,19196,19440,19960,19972,20132,20133,20134,20135,20252,22000,22107,22861,23185,23187,23245,23279,23354,23422,23424,23515,23708,23731,23766,23768,24796,25736,25843,36498,36511,36845,38777,39498,39953,39997,47803,50360,51181,51679,52011,53110,54185,54746,55299,55940,56417,56419
+[c:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:7]>>[c:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[n:6]:1.[C:7]-[I:8]	57	3301,3385,4040,9922,13920,19753,19798,23084,23134,23949,27650,31086,31245,31368,31371,31389,31397,31418,31421,31435,31436,31438,31449,31521,31567,31578,31595,31609,31613,31617,31631,31637,31645,31650,31651,31685,31687,31705,31706,31713,31721,31730,31731,31733,31746,31750,31754,31756,31805,31817,31818,31819,31821,31849,31851,31852,31854
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1)-[Cl:9].[C:1]-[O:2]	57	4414,5263,9487,9864,9865,11251,11416,12440,12639,12838,13580,14159,15333,17228,17229,19192,24829,24875,25641,26037,26190,27743,30337,30456,30494,30517,32387,32711,33059,33113,33155,33171,33185,33190,33191,35141,37014,37168,37620,37621,37622,37623,37624,37627,37655,43730,45664,45685,46969,46972,46973,46974,46986,46987,48530,48622,52478
+[c:1]:[c:2](-[C:3]=[O:5]):[c:4]>>[c:1]:[c:2](:[c:4])-[Br:6].[C:3](=[O:5])-[N:8](-[C:7])-[C:9]	56	1065,1068,1115,4377,5793,5808,9918,14210,16277,17602,19304,19737,19745,21501,24199,25221,25319,25367,25480,25821,27639,27663,27766,27772,28745,29465,32040,32042,32058,32061,32062,32066,32088,32101,32110,32120,32127,32129,32130,32137,32139,32144,32149,32155,32163,32166,32177,32179,32195,32196,32197,32204,32205,32206,32227,32231
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[c:8]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:9]):[c:8].[N:5](-[C:6])-[C:7]	56	2936,3231,3346,3961,3962,3964,5072,6204,6433,7361,8842,9684,9780,11296,11383,12267,12989,13731,13732,13749,13790,13851,13907,14659,15244,15712,16381,17445,17446,19463,19616,19637,21971,23156,23157,23324,25011,25012,26798,30239,30282,32560,32567,32626,32627,32653,33443,37165,38605,39102,39330,39546,39944,40294,51328,57037
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[P:5](-[Br:4])-[Br:6].[c:1]-[C:2]-[O:7]	55	933,934,935,936,937,938,939,940,947,948,955,956,957,959,960,961,962,963,964,965,966,968,969,970,972,973,976,979,982,983,984,985,987,988,991,992,996,997,999,1005,1006,1007,1008,1009,1010,1011,1012,1013,1015,1016,1017,1018,1019,1020,1021
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:5].[C:1]-[O:2]	55	2141,2149,3798,4153,4157,4248,4608,4636,5171,5209,6101,6587,6589,7783,12054,13193,15321,15324,15334,18818,20364,20407,21977,22187,22247,22444,22473,22476,22477,23232,23403,24372,25122,25931,29377,29378,30432,32781,32799,32810,33121,36008,36360,37170,37423,43679,45940,46878,46938,51279,52856,53116,53438,54158,55639
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:17]-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16]	55	3240,3943,12865,16049,20914,20933,20935,20948,20961,20962,20975,20977,21011,21012,21013,21014,21015,21016,21017,21018,21019,21020,21023,21024,21025,21077,21084,21089,21092,21095,21098,21100,21101,21105,21118,21128,21138,21152,21154,21162,21163,21164,21165,21168,21177,21199,21266,21267,21277,21278,21279,21281,21331,21344,21350
+[C:1](-[c:2](:[c:3]):[c:4])=[O:5]>>[c:2](:[c:3]):[c:4].[C:1](=[O:5])-[N:7](-[C:6])-[C:8]	55	4372,4376,9545,15868,17392,18273,19826,25074,25076,25105,25187,25192,25269,27045,27237,27420,27531,29432,32052,32053,32054,32056,32057,32070,32071,32072,32073,32077,32090,32091,32092,32096,32103,32106,32108,32114,32116,32117,32119,32131,32135,32150,32151,32152,32158,32159,32161,32162,32171,32180,32187,32198,32203,32216,32229
+[C:1]-[O:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[O:2].[C:3](-[C:4])(=[O:5])-[O:9]-[C:7](-[C:6])=[O:8]	54	2845,3024,5342,6870,6871,7207,7291,8876,9486,12818,13260,13263,14079,16828,16835,16839,16841,16844,16845,16846,16847,16849,16850,16851,16853,16854,16862,16863,16867,16916,16920,16923,16925,16926,16948,16964,16967,16970,16974,16985,16995,17007,17011,17051,17058,17077,17080,17082,17084,17090,17091,17094,17102,17104
+[C:1](=[O:2])-[O:3]>>[C:1](=[O:2])-[O:3]-[C:5](-[C:4])(-[C:6])-[C:7]	54	7918,17709,21367,21368,21369,21372,21373,21374,21375,21376,21377,21379,21387,21388,21389,21390,21391,21393,21395,21398,21399,21401,21408,21410,21413,21417,21418,21419,21420,24251,24252,24253,24260,24261,24264,24267,24268,24272,24274,24275,24278,24281,24285,24288,24293,24297,24298,24302,24306,24310,24316,24318,24319,38010
+[c:1]-[O:2]-[Si:3](-[C:4])(-[C:5])-[C:6]>>[Si:3](-[C:4])(-[C:5])(-[C:6])-[Cl:7].[c:1]-[O:2]	53	1589,6284,8007,8852,8854,9138,9948,11837,12551,15979,24491,24499,24500,24501,24502,24505,24521,24523,24528,24547,24549,24551,24552,24553,24556,24559,24560,24563,24565,24566,24571,24573,24574,24575,24576,24577,24579,24580,24583,24584,24598,24609,24618,24623,24624,24627,24628,24634,24640,24654,27506,27512,27515
+[C:1]-[C:2](=[O:3])-[c:4]>>[C:1]-[C:2](-[O:3])-[c:4]	53	2860,3837,3908,5019,5079,5091,5092,6237,7040,10723,12316,12821,17623,20452,24321,25169,25170,25662,26168,26500,27063,27351,27353,27936,33289,33290,34318,38085,44202,45995,46876,49322,49418,49661,49944,50974,51005,52002,52043,52170,52790,53195,53304,53796,54215,54433,54730,55174,56063,56064,56065,56957,57299
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:8].[c:1]:[c:2](:[c:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	52	1055,1195,1196,6651,10507,13220,14481,16109,16362,17227,17560,23940,24461,26094,26219,28336,28364,28367,28401,28409,28415,28461,28465,28947,28950,28951,28995,29000,29004,29024,29057,29059,29060,29062,29064,29073,29085,29100,29103,29116,29137,29140,29142,29154,29159,29189,29210,29222,29223,29224,29225,43526
+[C:1]-[N:2]>>[C:1]-[N+:2](=[O:3])-[O-:4]	52	2558,2559,4694,4695,6992,7220,8005,8958,24673,25955,26114,26429,29880,36056,36133,37693,38828,38844,39152,39469,39627,43129,43276,43418,43721,46248,46932,47365,48081,48082,48502,49109,50233,50340,50554,50834,50902,51086,51530,52368,52596,52777,52778,52789,53039,53468,56153,56343,56674,56744,57021,57218
+[c:1]:[c:2](-[I:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:5].[I:3]	52	6218,19535,27699,27955,27966,34261,37695,37720,38322,38395,38462,38951,39247,40224,40400,40401,40402,40404,40405,40406,40407,40408,40409,40410,40411,40422,40423,40424,40428,40429,40430,40431,40432,40433,40435,40437,40438,40441,40442,40443,40444,40445,40456,40462,40464,40466,40467,40478,40479,40480,40481,40484
+[c:1]-[C:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:6]	51	1593,1745,1746,3664,3668,3670,4095,12532,18018,18098,21611,22694,23268,23812,25707,27296,28564,30616,30618,30622,33311,33416,36166,38015,38535,39142,40327,40369,43382,43384,43385,43386,43387,46800,46801,48425,48786,49138,51176,53537,54091,54093,54094,54452,54935,54972,55434,55486,56267,56678,56716
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:6].[C:3]#[N:4]	51	4651,6339,10259,10734,11077,13319,18600,18705,20186,20361,20559,20568,21580,27328,29338,35972,35976,35977,35989,37272,38017,39693,39694,40147,40296,41013,41016,41036,41038,41053,41063,41073,41080,41081,41094,41102,41104,41105,41107,41112,41123,41124,41125,41127,41136,41141,41146,41148,41157,41164,41187
+[N:1]-[c:2](:[n:3]):[c:4]>>[N+:1](-[c:2](:[n:3]):[c:4])(=[O:5])-[O-:6]	49	7053,7743,9024,11111,13283,13960,14119,19476,19604,20124,22149,24042,24227,26070,29366,29762,31093,31960,34288,34356,34410,35879,37999,41570,41611,43506,43610,43611,48594,48748,48806,48919,49182,49449,49703,49835,51475,52424,52595,52988,53549,55734,57278,57303,57324,57325,57327,57337,57341
+[N:1]-[C:2]-[c:3]>>[N:1]-[C:2](-[c:3])=[O:4]	49	11134,11174,12903,13252,13937,14333,14335,15798,15799,31894,31896,38676,38804,39038,41441,41653,42427,42438,43428,43522,45585,45596,47379,47414,48538,48762,48763,49159,49258,49259,49311,49422,50231,50828,50890,50965,51113,51186,52679,52787,53747,53749,53780,54209,56086,56680,56760,57022,57268
+[C:1](-[C:2]-[c:3])#[N:4]>>[C:2](-[c:3])-[Br:5].[C:1]#[N:4]	48	901,2142,2147,6094,6261,6354,6407,6487,6511,6801,7223,17697,17860,30615,33534,33548,34582,36109,36156,36310,36341,37921,37948,40335,41043,41051,41054,41055,41058,41060,41077,41087,41089,41096,41097,41103,41108,41118,41128,41130,41131,41135,41138,41158,41163,41166,41178,41185
+[O:1]=[C:2](-[C:3])-[N:5](-[O:4])-[C:6]>>[O:1]=[C:2](-[C:3])-[O:7].[O:4]-[N:5]-[C:6]	48	2496,2497,4910,6233,7580,8816,9252,9530,10153,10207,11252,13412,17184,18446,18691,18933,19418,19903,19951,19985,20225,20383,22162,23207,23283,23349,23364,23456,23772,26127,34470,41499,41506,41512,41519,41525,41530,41531,41533,41535,41538,41539,41542,41543,41544,41545,41546,41552
+[c:1]-[C:2]-[C:3]>>[c:1]-[C:2](-[C:3])=[O:4]	48	2816,2832,2954,3834,4083,9126,9275,10358,17581,17646,22164,26505,27926,27927,28711,29776,30552,33222,33468,37243,37254,37530,43474,43891,48564,49143,49188,49196,50324,51108,51276,51305,51310,51351,51390,51594,52193,53021,53578,53579,53581,53583,53585,54304,55355,55488,55709,56172
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[c:1]-[O:2].[S:3](=[O:4])(=[O:5])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17]	47	1513,1907,2534,2952,5603,5695,6173,9049,10365,12235,12391,13251,13390,15859,16301,16345,16365,16480,27087,34528,36322,36458,38218,38219,38220,38221,38222,38224,38225,38229,38231,38232,38236,38237,38241,38242,38246,38247,38248,38249,38250,38251,38252,38254,38255,38256,38257
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:4].[C:5]-[O:6]	47	1636,2475,2546,2833,6653,6994,7579,8893,10422,11467,11652,12547,20155,21578,22111,22324,23603,32755,32770,32847,32860,32894,32906,32947,32980,33023,33031,33048,33049,33080,33082,33094,33104,33106,33108,33122,33123,33125,33126,33130,33141,33143,33153,33162,33165,33179,33180
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:7]-1-[C:6]-[C:5]-[C:4]-[C:3]-[O:8]-1	47	2124,2125,4295,6961,7186,8999,9117,10467,10551,11778,13093,16248,16307,16309,17112,18509,21723,24105,24721,26493,27500,28418,32389,34858,36955,37666,38545,38700,39620,45898,50458,50876,51203,51449,52763,52966,53057,53637,53709,54207,54298,54425,54446,56050,56238,57048,57069
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[O:5].[N:3]	47	2933,6350,11431,12965,17114,17711,20586,21403,22957,24289,25525,27398,27976,34551,34568,36124,37275,37671,40651,40652,40653,40655,40659,40662,40694,40728,40733,40735,40737,40738,40764,40797,40809,40822,40824,40826,40833,40839,40850,40851,40852,40866,40884,40910,40945,40967,40977
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]-[O:6]>>[C:1]-[N:2]-[C:3].[C:4]-1-[C:5]-[O:6]-1	47	3119,3122,4530,6421,7063,7221,7947,8042,9670,9678,9685,11101,11515,12742,13655,13746,14660,14710,14752,14871,15024,15085,15255,15256,15619,15733,15741,20062,22101,23378,27124,28806,28881,30940,32643,32667,32670,36933,37767,38640,43639,43691,43693,43695,49641,51436,51728
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5])-[Cl:6]	47	3142,3149,5062,7704,9610,9725,13682,13728,13816,13902,14692,14721,14758,14787,14792,14844,14914,14915,15048,15100,15110,15111,15205,15696,15718,15729,16348,16349,17821,19628,19703,30941,31975,32578,32633,32651,32654,33408,37265,39994,41618,43282,43784,50108,51223,54374,55620
+[n:1]:[c:2](:[n:3])-[S:5](-[C:4])=[O:6]>>[n:1]:[c:2](:[n:3])-[S:5]-[C:4].[O:6]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1	46	1241,10946,10968,11301,11769,15275,15365,16487,19088,20243,20247,22193,24188,26076,30269,36536,36549,36550,36551,36559,36561,36562,36563,36564,36567,36568,36569,36570,36585,36586,36587,36611,36614,36620,36623,36625,36626,36642,36644,36659,36668,36678,36694,36710,36717,36722
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:4](-[C:3])=[O:5]	46	1623,2894,9452,11447,11829,21487,21489,25308,25332,25505,25699,27311,28846,43066,43545,43568,43569,48296,48686,49130,49628,50476,50704,50706,51226,51282,51484,51588,51589,51684,51703,52678,52750,52943,54149,54315,54480,54806,55072,55073,55077,55279,55327,55453,55868,57358
+[c:1]:[c:2]:[n:3]:[c:4]:[c:5]>>[c:1]:[c:2]:[n+:3](:[c:4]:[c:5])-[O-:6]	46	3366,4652,5810,6836,7193,11558,17890,20655,25388,27355,27745,33478,34563,36176,38347,38500,38940,39780,43349,43591,43794,48116,48118,48120,48121,48232,48271,48630,48798,48921,48922,48936,48993,49093,49191,49277,49429,50461,50462,50817,51205,51283,51346,51398,51468,55159
+[c:1]-[O:2]-[C:4]-[O:3]>>[c:1]-[O:2].[O:3]-[C:4]-[Cl:5]	46	5826,5827,5830,5833,5836,5837,5841,5842,5843,5844,5848,5849,5850,5851,5853,5854,5855,5856,5857,5858,5859,5860,5861,5862,5863,5866,5869,5870,5871,5873,5948,5979,5980,5981,5982,5983,5984,5986,5989,5990,8825,33895,33902,33917,33921,33926
+[C:1]-[C:2]-[O:3]-[C:4]>>[C:1]-[C:2]-[Br:5].[O:3]-[C:4]	45	721,822,823,825,830,847,854,856,857,859,860,863,865,879,2089,2095,2096,2957,3698,3825,3845,3881,4244,4245,4545,5671,5756,5951,5952,7526,9333,9466,9567,10442,10765,10766,19202,29817,29820,33111,33144,39527,43493,43650,52624
+[N:1]#[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Cl:5].[N:1]#[C:2]	45	1074,4894,5823,9561,25389,27726,27921,35140,36217,40114,40203,41020,41021,41042,41046,41048,41052,41056,41065,41066,41067,41069,41071,41072,41083,41084,41085,41090,41092,41093,41095,41100,41137,41139,41140,41150,41161,41171,41173,41174,41181,41182,41183,41184,41186
+[n:1]:[c:2](-[C:3]=[O:5]):[c:4]>>[n:1]:[c:2](-[C:3]-[O:5]):[c:4]	45	3058,12155,12842,20688,21938,24474,25272,25807,27417,27450,31126,36296,36410,36752,36822,36953,38965,39184,44502,46997,46998,47377,47417,48405,48551,49807,49868,49874,50956,51407,52535,52823,54300,54458,54680,54780,54799,55089,55455,55670,55840,56310,56764,57191,57340
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[N:7]-[c:8]>>[N:7]-[c:8].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[Cl:9]	45	3250,6029,6645,6646,6647,6648,11353,14138,14167,14440,14511,14609,14610,15512,15908,25288,25555,27768,27924,29786,32391,33336,33845,34325,35952,36052,36277,36474,36892,41382,41383,41384,41387,42486,42682,42684,42809,46151,48901,49176,49731,49732,51120,51446,52058
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:6].[C-:3](#[N:4])~[Cu+:7]	45	5595,5606,6901,11714,17212,26134,26524,27660,27744,28636,28877,33388,33418,37250,37728,38012,38325,38869,39771,42476,42570,42579,45593,47499,47501,47502,47503,47506,47507,47508,47510,47512,47513,47514,47515,47516,47518,47519,47521,47522,47523,47524,47526,47530,47531
+[N:1]=[C:2](-[c:3])-[N:4]-[O:5]>>[N:1]#[C:2]-[c:3].[N:4]-[O:5]	44	6900,12210,12503,17655,18236,18260,18321,20334,21468,22018,25075,25384,26981,27309,33951,34561,38004,38380,39317,39358,42397,42821,45188,47017,47018,47019,47033,47034,47041,47042,47054,47058,47073,47078,47100,47104,47106,47123,47164,47165,47166,47184,47185,47191
+[c:1]:[c:6]:[n:5]:[c:3](:[c:2])-[N:4]-[C:7]>>[c:1]:[c:6]:[n:5]:[c:3](:[c:2])-[F:8].[N:4]-[C:7]	43	1459,4440,4986,4989,6530,6543,6544,7474,9421,9422,9429,10221,10224,11774,12168,12181,12454,14026,14405,15384,15404,17770,22145,22645,29367,30220,39219,40396,40397,41376,41833,41964,42089,42786,46830,50576,51265,51266,51267,51415,52015,57138,57139
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])-[I:6]	43	3147,5818,6060,7633,8021,9795,9801,13739,13861,13901,14709,14785,14839,14924,15071,15163,15200,15220,15695,15745,15746,16217,16220,20391,21370,21412,22600,22611,24246,28765,29877,29948,29964,29966,30045,30062,30068,30094,30110,30115,37836,52086,55575
+[c:1]:[c:2](:[c:3])-[I:4]>>[c:1]:[c:2]:[c:3].[I:4]-[I:5]	43	4928,7884,10526,11373,11507,16343,26013,26662,27460,34598,37156,37524,37983,38420,39034,39512,40146,40497,40501,40513,40515,40519,40525,40528,40535,40536,40539,40541,40543,40544,40557,40558,40559,40561,40562,40563,40566,40567,40568,40570,40572,40577,40578
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9].[c:1]-[O:2]	43	5261,5262,5433,6415,12641,13239,13596,13951,14424,15524,15971,19100,20556,20796,25408,25409,25750,33314,34755,36941,36999,37001,37088,37089,39021,39664,43714,43715,47340,48207,48545,49200,49271,49777,49778,50563,51392,51425,51435,53339,55527,55604,56822
+[c:1]-[O:2]>>[c:1]-[O:2]-[Si:7](-[C:4](-[C:3])(-[C:5])-[C:6])(-[C:8])-[C:9]	43	7974,25181,25182,25186,25191,25195,25199,25202,25207,25210,25213,25215,25224,25232,25235,25236,25237,25238,25239,25240,25241,25243,25245,25247,25250,25252,25253,25262,25263,25264,25265,25266,25276,25277,25278,25279,25282,25283,25284,25285,25287,25291,34246
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[n:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]):[n:7].[N:5]-[c:6]	42	1172,1175,1780,3416,3418,3419,3439,5938,6252,7536,7849,7901,9052,9053,10704,10739,10858,12952,17643,19830,19831,20367,23942,25315,25316,25317,32260,36043,48177,48329,48351,48929,49623,49762,49978,50678,51055,51290,52825,53236,54860,57082
+[C:1](-[C:2](=[O:3])-[O:4])-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:9].[C:1](-[C:2](=[O:3])-[O:4])-[N:5]	42	1539,2516,2517,2518,3815,6450,8832,8886,10038,12043,12047,12048,12352,12355,15393,17226,18027,18038,18248,18251,18586,20068,21531,21961,23259,23260,23263,23746,23749,23773,23774,23839,26630,26636,30752,30753,40315,46812,47862,50030,51350,52228
+[O:1]-[N:2]=[C:3](-[C:4])-[c:5]>>[C:3](-[C:4])(-[c:5])=[O:6].[O:1]-[N:2]	42	4301,6080,7599,16035,23166,25260,25502,29775,33263,33359,33438,34319,38008,38084,38199,38539,44201,47020,47043,47048,47049,47053,47055,47056,47059,47065,47087,47098,47101,47102,47113,47114,47115,47117,47118,47134,47141,47152,47167,47171,47175,47182
+[c:1]:1:[c:2]:[c:3]:[n:4](-[C:5]-[c:6]):[c:7]:1:[c:8]>>[C:5](-[c:6])-[Br:9].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:7]:1:[c:8]	41	1594,2133,2134,2137,2138,3050,3234,3383,4727,6432,6519,6594,9924,12157,18628,19147,19788,27566,34542,36479,36481,38759,39445,44685,44692,48136,48137,48151,48428,49227,50227,51116,51132,51145,51146,51147,51152,51410,53043,54753,55864
+[c:1]-[C:2](-[C:3]-[C:4])-[C:5]>>[c:1]-[C:2](=[C:3]-[C:4])-[C:5]	41	2057,5555,7385,7387,7390,7835,9501,9503,15343,15352,16486,18913,22082,22400,22401,22409,22410,22413,22776,37369,38750,39138,39748,43805,43806,43843,45307,45610,48418,49091,50053,50614,51725,51983,52204,52382,53262,54034,54035,55347,55357
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[c:6]>>[C:3](=[O:4])(-[C:5])-[Cl:7].[C:1]-[N:2]-[c:6]	41	2341,2356,2379,2398,2412,2413,2415,2438,4310,9200,9964,10014,10184,10186,10592,10603,11767,12366,12367,12369,17326,19077,19082,21790,23068,23541,23699,26444,26458,29673,29859,36484,43986,43998,44004,44011,44021,44028,44031,44032,44033
+[N:1]-[c:2](:[c:3]:[n:4]):[c:6]:[n:5]>>[N+:1](-[c:2](:[c:3]:[n:4]):[c:6]:[n:5])(=[O:7])-[O-:8]	41	2909,6986,9476,9509,13487,15490,17690,20256,22710,22712,22833,23030,23869,27769,28820,29344,34260,37035,37036,39121,39122,39491,42523,42790,43308,43309,49786,50138,54996,54997,54998,56314,56608,56884,57146,57203,57210,57241,57295,57296,57297
+[n:1]:[c:2](-[C:3]-[O:5]):[c:4]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:8]-[C:7]-[C:6]):[c:4]	41	3056,3392,6784,7316,8839,11553,12843,18469,20678,25621,27414,27489,30883,30886,30887,31085,31155,31156,36411,36488,36823,38047,38051,38052,39183,39341,40131,45389,48949,49586,49749,50389,51148,53176,53499,54472,54798,55965,56309,56850,57339
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[Cl:8].[N:4]-[c:5](:[n:6]):[c:7]	40	1706,1709,1711,2295,2373,2435,7518,10509,10510,10613,10614,10619,10624,10631,11443,11709,12081,12137,12225,17329,17331,17332,17343,17355,17358,17361,17365,25379,25492,26388,29657,29828,29829,40337,42641,42758,42774,43974,51994,52223
+[c:1]:[c:2](-[Cl:3]):[c:4]>>[c:1]:[c:2]:[c:4].[Cl:3]-[N:11]-1-[C:6](=[O:5])-[C:7]-[C:8]-[C:9]-1=[O:10]	40	6159,7292,12992,16225,18355,20686,20792,21569,26404,27767,27928,28847,29415,29741,33441,36099,37940,38001,38586,39737,40325,42407,42480,42627,44325,44326,44338,44340,44342,44345,44346,44347,44349,44350,44353,44354,44360,44372,44379,44381
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:6])-[Br:7]	39	1263,1289,1290,1292,1338,1345,1352,1368,1370,1387,1402,1403,1405,2181,3827,3907,3944,4257,5788,10574,10949,15808,15809,15810,17133,17136,17139,17140,17142,17263,17266,17267,17269,17440,32242,37532,50322,52251,53448
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1):[c:9]>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1)-[Cl:10].[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13]	39	3568,5122,12657,12658,12661,20795,27423,35942,36983,37000,37005,37006,37011,37085,37086,37087,37631,37634,38448,38784,44680,46411,46425,46455,46491,46497,46504,46506,46521,46599,46650,46686,46709,48462,49604,50155,51908,53144,53425
+[C:1]-[C:2](-[N:3])=[S:4]>>[C:1]-[C:2](-[N:3])=[O:16].[S:4]=[P:26]-1(-[c:5]:2:[c:6]:[c:7]:[c:8](-[O:9]-[C:10]):[c:11]:[c:12]:2)-[S:13]-[P:23](-[c:22]:3:[c:14]:[c:15]:[c:19](-[O:18]-[C:17]):[c:20]:[c:21]:3)(=[S:24])-[S:25]-1	39	4940,7130,7289,11641,13406,13480,14547,16046,16178,19380,19849,20461,20704,22206,23280,25911,26478,36923,37382,40038,41696,43375,43377,44501,45660,48724,49459,49802,49856,52121,52123,53293,54235,54612,55381,55382,55383,55384,55387
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4]-[O:5]	39	5364,5371,27669,27729,34299,34667,36014,38444,38538,38679,39108,39685,39892,39980,40136,42416,43535,43621,46186,48309,48407,48517,48820,48992,49265,49475,51286,52751,52859,53032,54473,54636,55311,55640,55883,55954,56187,56699,57275
+[c:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:1]-[N:2].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:8]	39	5601,7535,9165,10523,10528,11327,14551,14552,15854,22717,27112,35933,36216,36353,38991,38992,39014,42611,42656,48549,48553,48613,48614,48615,48616,48618,48619,48621,48952,48953,48954,49001,51059,51259,51605,51645,54163,54856,56405
+[C:1]-[N:2](-[C:3])-[c:4](:[c:5]):[c:6]>>[C:1]-[N:2]-[C:3].[c:4](:[c:5])(:[c:6])-[Cl:7]	39	5819,9821,11093,12686,12698,12720,13662,13670,13671,13672,13866,14669,14680,14685,14686,14687,14834,15035,15072,15105,15226,15591,15598,15623,15629,15736,19663,19670,23809,24061,24080,32263,32562,32638,36038,36060,36061,36150,37766
+[c:1](:[n:2]):[c:4](:[c:3])-[Br:5]>>[c:1](:[n:2]):[c:4]:[c:3].[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11]	39	8078,8085,8144,8165,8235,8290,8331,8363,8392,8393,8401,8403,8407,8440,8444,8457,8463,8471,8473,8490,8502,8509,8510,8516,8529,8530,8532,8534,8564,8581,8629,8672,8702,8710,8749,8755,8761,8762,8768
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[Cl:6]	38	1083,1705,1720,2314,4016,4017,5139,5363,9199,10041,11331,11429,17177,17325,17582,19787,25062,25620,26454,27169,28544,28545,28614,28866,30496,37185,38054,38055,39302,43950,43960,43961,43980,43981,43985,44030,45937,52984
+[C:1]-[N:2]-[c:4](:[c:3]):[c:5]>>[C:1]-[N:2].[c:3]:[c:4](:[c:5])-[Cl:6]	38	4138,4439,4446,4468,4492,5236,5244,6393,7453,9872,10250,10834,11017,12382,12464,12466,12469,13231,22223,22238,24079,26509,26734,26751,26949,29551,29892,30137,32292,35881,35899,35907,36433,36482,42113,43324,48078,49097
+[C:1]-[C:2](-[N:4]-[C:3])=[O:5]>>[C:3]-[N:4].[C:1]-[C:2](=[O:5])-[O:9]-[C:7](-[C:6])=[O:8]	38	4482,6203,6239,8812,9238,9554,10247,11577,11635,13559,16351,16837,16852,16857,16873,16876,16882,16898,16901,16918,16940,16943,16963,16977,16978,17002,17009,17028,17037,17043,17066,17072,17074,17083,17087,17089,17092,43507
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](-[N:7])=[O:8]>>[C:1]-[C:2](=[O:3])-[O:9].[N:4]-[C:5]-[C:6](-[N:7])=[O:8]	38	4938,6886,6995,7481,9812,9898,10471,10864,11250,11645,12789,15405,15820,16420,17442,18082,18550,20131,21614,22026,23258,23289,23302,23310,23416,26466,26594,26615,43412,43413,44175,44866,46807,48488,50616,50617,50618,55905
+[c:1]-[C:2]-[N:3]-[c:4]>>[N:3]-[c:4].[c:1]-[C:2]=[O:5]	38	5607,5608,10566,11710,11730,13940,14184,17639,19236,20563,21787,29421,32467,32486,36349,38656,38681,42489,42548,42721,44630,44768,44801,45879,48371,48470,48471,48482,49092,49228,49634,50036,51595,51625,52631,52834,54095,56192
+[N:1]-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1>>[N+:1](-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1)(=[O:7])-[O-:8]	38	6309,10310,15278,19461,19967,20258,22327,23475,25705,25940,27878,29336,29938,30880,32371,34101,37446,39507,41592,41610,48099,48100,48178,48194,48217,48970,49013,49140,49836,50771,53386,54953,56783,57306,57326,57329,57336,57338
+[C:1](=[O:2])(-[C:3])-[O:4]>>[C:1](=[O:2])(-[C:3])-[O:4]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1	38	12301,13587,15781,15792,18052,18077,18489,18980,19877,19915,20520,20610,20642,21696,39486,52236,52328,52480,52481,52482,52483,52540,52542,52545,52546,52547,52550,55978,56212,56408,56409,56411,56413,56414,56475,56476,56477,56478
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5]:[c:6]:[n:7])-[C:8]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:9].[C:1]-[N:2]-[C:8]	37	1921,1922,1929,1940,3094,5318,7877,9787,10431,12649,12729,13027,13881,13887,14313,14696,14733,15246,15248,15491,15578,15768,16380,19671,19696,19714,19716,20579,20580,20581,25614,28794,31971,32694,34240,37278,37279
+[n:1]:[n:2]:[c:3](-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[n:1]:[n:2]:[c:3](:[c:7])-[Cl:8]	37	3437,7356,7369,7374,9195,9613,9716,9789,10822,10823,11106,11520,11950,12786,13540,14750,14906,14916,15002,15074,15201,15216,15750,18408,18880,19640,19715,26538,28684,29593,32678,38600,38611,39766,41661,41666,51149
+[C:1]-[C:2]-[C:3]-[c:4]>>[C:1]-[C:2]#[C:3]-[c:4]	36	2186,2187,2189,9317,10505,12916,14634,16479,17282,17283,17810,23827,24284,25255,28691,32248,34577,35886,36312,36526,43487,45212,49505,51353,51646,51823,51918,53509,53510,53511,54168,54231,54376,55438,55903,57363
+[c:1]:[c:3](:[c:2])-[C:4](-[C:5])=[O:6]>>[c:1]:[c:3]:[c:2].[C:4](-[C:5])(=[O:6])-[O:7]	36	2476,2477,3807,6259,6456,9127,9129,13161,26392,26653,26873,29831,29834,33482,33491,36455,40270,43069,46797,48355,48490,48638,49375,49839,50106,50702,51084,51527,51552,51715,51984,51996,51997,52935,54758,55489
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:7](-[O:6]-[C:5]-[C:4])=[O:8]	36	3294,3299,3300,7018,7047,9830,9831,11540,11573,13146,13188,13195,13197,13523,13543,13645,13931,13933,13983,13984,13985,14070,16086,16111,31956,35943,43846,48301,50110,52429,52677,53732,53753,53874,54726,56138
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2]#[N:3].[O:4]-[O:5]	35	1526,3371,7995,9505,9506,9520,12420,15486,17651,17653,18518,20507,24191,27120,27440,32411,36245,36440,39972,40616,41651,45704,47256,47258,47263,47267,47270,47279,47281,47289,47295,47305,47317,47319,47321
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:5]-[C:4]	35	3223,3227,3237,3238,3265,3266,3515,7677,27056,27571,30862,31124,33410,34392,34579,39279,48322,49268,49328,49400,49914,50321,53478,53652,53654,53841,54429,54974,54986,55012,55672,56244,56890,56896,57193
+[c:1]:[c:2](:[n:3]:[n:4])-[Cl:5]>>[c:1]:[c:2](:[n:3]:[n:4])-[O:10].[Cl:5]-[P:7](=[O:6])(-[Cl:8])-[Cl:9]	35	9099,12537,27738,33394,34743,35191,35195,35214,35228,35277,35282,35303,35304,35311,35324,35347,35355,35391,35416,35419,35427,35429,35433,35436,35437,35445,35446,35447,35450,35456,35458,35481,35490,35522,35538
+[C:1]-[O:2]-[C:5](-[C:4]-[C:3])-[O:6]>>[C:1]-[O:2].[C:3]-[C:4]=[C:5]-[O:6]	34	1060,3806,4063,4143,4150,4158,4176,4246,5267,5347,5349,6125,7784,25881,25928,26203,27537,33489,43732,43736,43738,43749,43750,43758,43759,43760,43761,43762,43763,43764,43767,43770,43771,43773
+[C:1]=[C:2]-[C:3]-[O:4]-[c:5]>>[O:4]-[c:5].[C:1]=[C:2]-[C:3]-[Br:6]	34	3292,3588,3590,3594,3598,3599,3603,3607,3608,3609,3610,3612,3617,3618,3619,3620,3621,3623,3624,3625,3629,3630,3631,3632,3633,3634,3635,3638,3641,3644,3647,3648,3653,3654
+[C:1](-[C:2])-[Cl:3]>>[C:1](-[C:2])-[O:7].[Cl:3]-[S:5](=[O:4])-[Cl:6]	34	4190,4252,4254,4298,5222,5436,5969,9858,13166,15817,16074,16497,25429,25767,29469,29764,35610,35629,35702,35735,35737,35741,35750,35757,35774,35782,35798,35821,35824,35825,35836,35844,35846,35849
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])(-[c:5])-[Cl:7].[c:1]:[c:2]:[c:6]	34	4783,6381,7078,7079,33319,33413,33423,33509,36321,36520,37519,40054,40283,43583,45158,45570,48238,48955,49161,49162,49165,49987,49988,50410,50569,50736,50738,51544,52826,52933,52934,52953,53607,55785
+[C:1](-[c:2]:[c:4]:[n:3])-[Br:5]>>[C:1]-[c:2]:[c:4]:[n:3].[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11]	34	6356,8066,8067,8149,8153,8155,8185,8245,8283,8342,8356,8449,8475,8477,8500,8515,8540,8548,8549,8550,8586,8601,8605,8608,8613,8637,8641,8649,8675,8715,8721,8757,8765,8774
+[C:1]-[N:2](-[C:3]-[C:4](=[O:5])-[N:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](-[C:4](=[O:5])-[N:6])-[Cl:8]	33	1258,6752,6928,6930,7060,7280,7667,9455,9752,12668,12669,12707,12708,12754,13971,14297,14675,14690,15011,15081,15123,15131,15241,15596,15597,15665,15893,16167,32618,32662,32680,49187,56924
+[C:1]-[C:2](=[O:3])-[O:4]-[c:5]>>[O:4]-[c:5].[C:1]-[C:2](=[O:3])-[O:9]-[C:7](-[C:6])=[O:8]	33	1880,6909,11836,16848,16855,16866,16879,16884,16915,16921,16927,16932,16933,16946,16947,16957,16976,16980,16984,16991,17001,17003,17032,17034,17038,17054,17055,17056,17063,17068,17075,17076,17081
+[C:1](=[O:2])(-[c:3](:[n:4]):[c:5])-[O:6]-[C:7]>>[C:1](=[O:2])(-[c:3](:[n:4]):[c:5])-[O:8].[O:6]-[C:7]	33	1882,1883,27137,30314,30353,30413,30416,30424,30426,30434,30465,30503,30512,30514,32775,32779,32789,32896,32910,32911,32942,32953,32955,32998,33047,33056,33057,33058,33060,33068,33139,33187,37907
+[s:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[s:1]:[c:2](-[C:3](=[O:4])-[O:8]):[c:7].[N:5]-[C:6]	33	3280,4391,4399,4450,4976,6321,6701,6703,6704,6796,6798,10146,11399,12619,14644,17790,26969,28617,29976,30983,31326,38434,38435,38437,39637,39638,41758,49704,49705,49726,49727,51452,54770
+[P:1]-[O:2]>>[P:1]-[O:2]-[C:3]-[C:4]	33	3472,3509,3512,3513,4672,5974,6017,6018,9002,11084,26627,31215,31228,31229,40002,41429,43423,43438,43439,43450,45544,48469,49930,49931,50333,53007,53008,54436,54437,55671,55683,57095,57177
+[C:1](-[c:2])-[Cl:3]>>[C:1](-[c:2])-[O:6].[Cl:3]-[C:5]-[Cl:4]	33	11281,13918,17736,25113,25536,25714,28570,28862,33405,35062,35063,35064,35066,35067,35070,35073,35078,35088,35094,35099,35100,35102,35110,35115,35116,35117,35121,35124,35128,35129,35131,35132,35134
+[c:1]:[c:2](-[N:3]-[c:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:6].[N:3]-[c:4]	33	11314,12609,14009,14544,18624,21470,24362,26155,34093,34094,34095,36122,36123,36759,37468,37632,38579,38580,42430,42701,42711,43290,44304,45587,50674,50786,50855,50856,50857,51022,51915,52833,52839
+[C:1]-[C:2](-[C:3])-[N:4]-[c:5]>>[C:1]-[C:2](-[C:3])=[O:6].[N:4]-[c:5]	32	2252,2567,3795,9879,10156,10162,10166,10169,10171,11671,12335,13355,16004,18943,20224,22508,22515,22523,22528,22529,24748,25470,26308,26337,26339,26618,29646,39167,43581,43834,45919,52841
+[C:1]-[N:2]-[c:3](:[c:4]):[n:6]:[n:5]>>[C:1]-[N:2].[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:7]	32	4466,6674,7568,7570,9424,9427,9999,10000,10001,10002,10003,11385,22010,22641,23493,23535,23544,23545,23546,23547,26184,26210,26537,26968,27232,29899,32504,39669,41821,49212,55643,56251
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+[c:1](:[c:2]:[n:3])(:[c:4])-[B:6](-[O:5])-[O:7]>>[c:1](:[c:2]:[n:3])(:[c:4])-[Br:8].[O:5]-[B:6](-[O:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	31	1730,9270,11888,12546,15468,17511,27646,27808,27827,27941,28000,28014,28045,28058,28060,28062,28085,28087,28088,28093,28131,28134,28156,28182,28185,28246,28250,28251,28253,28274,28275
+[c:1]:[c:2](-[I:3]):[c:4]>>[c:1]:[c:2]:[c:4].[I:3]-[N:8]-1-[C:6](-[C:5]-[C:11]-[C:10]-1=[O:9])=[O:7]	31	1878,33383,34557,35990,36039,36059,36449,38383,39178,40390,41556,44190,44390,44391,44392,44397,44398,44400,44403,44404,44410,44411,44412,44414,44416,44417,44424,44429,44430,44431,44433
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])-[O:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13]	31	3125,9692,10336,12761,12829,13022,13868,13904,14694,14738,15197,15198,15199,15211,15237,15545,15628,20324,20329,25686,29560,29569,30942,31902,32600,32688,41680,46096,52289,53983,53985
+[C:1](-[C:2])-[O:3]>>[C:1](-[C:2])=[O:3]	31	3687,9299,9340,11509,11643,11644,12143,12895,15989,21931,22493,22806,24889,25823,25865,37598,39458,40278,45263,49071,49740,50152,51678,52001,52797,53462,54257,56443,56985,57305,57380
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+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[c:8]:1>>[O:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[Cl:9]	31	7697,10894,12927,20763,21421,35941,36023,36024,36025,36385,36891,40288,42421,42422,42423,42440,42829,42830,42831,44703,48595,48601,49214,49733,50157,50169,50703,51214,52279,55524,55525
+[S:1](=[O:2])(=[O:3])(-[c:4](:[c:5]):[c:6])-[Cl:7]>>[c:4](:[c:5]):[c:6].[S:1](=[O:2])(=[O:3])(-[Cl:7])-[O:8]	31	11585,33535,36747,39898,44292,45645,45731,45737,45738,45739,45744,45745,45747,45749,45753,45755,45758,45759,45760,45762,45765,45766,45768,45769,45770,45771,45777,45778,45779,45780,45782
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]:[n:7]>>[c:1]:[c:2](:[c:6]:[n:7])-[Br:8].[N:3](-[C:4])-[C:5]	30	1093,1140,1141,1142,1192,2873,3362,7661,10927,12679,13665,14713,14734,15053,15088,15103,15538,15611,15682,15772,18572,18714,19669,19719,23044,24896,25008,29597,54575,54793
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:9].[c:1]:[c:2](:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	30	1121,21411,23567,27761,27762,27898,28320,28321,28328,28334,28335,28377,28378,28397,28400,28458,28949,28960,28971,29027,29041,29052,29053,29055,29093,29096,29136,29138,29202,29218
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8].[N:6]-[c:7]	30	1919,1933,1936,1937,11194,13648,18528,18879,25022,27067,29354,31346,32458,34396,34679,36751,38112,38366,39027,39744,39904,40015,40597,48363,48414,48526,48527,51653,52909,54867
+[c:1]:[c:2](-[C:3](-[N:4])=[O:5]):[n:6]>>[c:1]:[c:2](-[C:3](=[O:5])-[O:7]):[n:6].[N:4]	30	1951,3476,6759,10298,11809,16061,25026,25450,28726,38035,40612,40650,40668,40670,40671,40672,40678,40716,40717,40739,40774,40785,40791,40820,40821,40845,40912,40920,40941,40963
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+[c:1]:[c:2](-[N:3]-[C:4]):[c:5]>>[N:3]-[C:4].[c:1]:[c:2](:[c:5])-[Br:6]	30	5790,9425,10305,12487,14411,17783,18060,18061,18659,18897,19062,19067,22234,24682,24797,25205,25993,27015,28850,29895,32326,34292,36169,36827,48497,49215,51557,53188,53702,53900
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+[c:1]:[c:2](-[C:3]#[C:4]-[Si:7](-[C:6])(-[C:8])-[C:9]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:10].[C:3]#[C:4]-[Si:7](-[C:6])(-[C:8])-[C:9]	29	7471,7687,10458,13501,17900,21739,26116,27267,29407,29446,29450,29491,29492,30236,33656,33657,33666,33673,33678,33688,33691,33697,33698,33699,33702,33703,33704,33707,33714
+[C:1]-[N:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2]-[C:9].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:10]	29	9622,12693,12700,12739,12780,12781,13029,13770,13806,13831,13867,14698,14781,14789,15014,15097,15590,15681,16221,19624,20152,20197,23517,23619,23629,32572,32609,36893,49793
+[C:1](-[O:2])-[C:3]-[O:4]>>[C:1]-1-[O:2]-[C:6](-[O:4]-[C:3]-1)(-[C:5])-[C:7]	29	11256,14583,17652,17657,23799,24685,25635,25939,26591,27275,29323,29325,29326,29327,29328,29330,29332,29355,37820,38556,38592,39715,39728,52794,53494,53618,54509,55238,55349
+[c:1]:1:[c:2]:[c:3](-[N:4]):[n:5]:[c:6]:[n:7]:1>>[c:1]:1:[c:2]:[c:3](:[n:5]:[c:6]:[n:7]:1)-[Cl:8].[N:4]	29	19248,34696,34698,36988,36998,38782,39103,39534,40677,40696,40736,40744,40776,40777,40778,40784,40793,40799,40817,40857,40911,40992,40993,40994,40995,40996,40997,40998,41006
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3]-[c:4].[C:1]-[C:2]-[O:13]-[S:10](-[c:9]:1:[c:8]:[c:7]:[c:6](-[C:5]):[c:15]:[c:14]:1)(=[O:11])=[O:12]	28	1046,3229,6293,6457,11893,14107,16325,16366,19091,26186,33544,36802,39349,41331,42424,44643,45872,46092,46094,50061,51019,51225,51650,53437,53976,53980,53982,53986
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1):[c:8]>>[c:3]:1(:[c:4]:[c:5]:[c:6]:[s:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	28	1166,1167,1168,1240,1244,1247,1248,1250,1256,1257,5709,6097,20653,20654,21495,22672,23118,26797,38159,39369,41580,43248,45268,45707,46454,46596,46622,51890
+[c:1](:[n:2]):[c:3]-[C:4]-[O:5]>>[c:1](:[n:2]):[c:3]-[C:4]=[O:5]	28	2058,9007,10954,17391,24939,25497,25498,25506,28855,28864,34322,43557,44679,44681,44741,44746,44747,44754,44755,44786,44789,44798,48943,49695,50278,51135,52666,57018
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]#[N:7].[O:4]-[C:6]-[C:5].[O:3]	28	2203,3576,16129,19388,26755,27629,30309,30316,30319,30323,30332,30354,30357,30358,30366,30367,30368,30369,30371,30372,30373,30374,30375,30380,30381,30382,30386,30387
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:8]-[C:7]-[C:6]	28	3054,4431,4458,4494,4495,4585,5474,5475,5597,5619,5628,5634,6488,9955,10379,12465,13979,22445,29295,30749,34993,38646,38686,39299,41852,41889,41931,49297
+[C:1](=[O:2])-[O:3]-[C:4]>>[C:1](=[O:2])-[O:3].[C:4]-[I:5]	28	3655,6360,20116,24412,27111,31384,31396,31412,31416,31431,31434,31439,31493,31507,31518,31541,31565,31601,31606,31612,31619,31621,31626,31635,31669,31694,31723,31765
+[C:1]-[N:2]>>[C:1]-[N:2]-[C:7]-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:9]:[c:8]:1	28	9360,9383,17806,18592,18649,18784,18939,19352,21808,22040,22086,22377,22441,24793,34222,37401,37436,37593,52451,52454,52455,52457,52900,55666,56394,56401,56402,57317
+[c:1]-[C:2]#[N:3]>>[c:1]-[C:2](-[N:3])=[O:4]	28	9965,21685,25354,25448,34555,41973,41982,42082,43280,44095,44096,44766,45976,46296,48203,49210,49381,49438,50225,50347,50547,51426,52606,54029,54901,55718,56365,57252
+[c:1]:[c:2](-[N:3]-[c:4]):[c:5]>>[N:3]-[c:4].[c:1]:[c:2](:[c:5])-[F:6]	28	16241,27665,27774,36153,39235,40286,40305,42492,42553,45721,47808,48071,48072,48073,48076,48360,48662,49020,49021,49131,50582,50633,50671,50794,50795,51095,52838,53550
+[O:1]=[S:2](=[O:3])(-[c:4])-[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[n:9]>>[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[n:9].[O:1]=[S:2](=[O:3])(-[c:4])-[Cl:11]	27	1066,1097,1586,12020,14356,19347,23670,27334,33350,34389,35953,40280,45466,48140,48143,48144,48152,48156,48160,48170,48484,48578,49208,49232,50599,51808,52824
+[C:1](-[C:3]=[C:2]-[N:4])=[O:5]>>[C:1](-[C:3])=[O:5].[C:2](-[N:4])(-[O:7]-[C:6])-[O:8]-[C:9]	27	1627,6706,11773,27888,27961,36140,38909,39686,39800,43155,43156,43158,43160,43162,43163,43165,43166,43168,43169,43170,43171,43172,43174,43180,43184,43185,43188
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[O:1]-[C:2](=[O:3])-[Cl:8].[N:4]-[c:5](:[n:6]):[c:7]	27	1799,2904,6925,15885,17167,25143,25397,25398,25400,25486,25489,25751,25754,26699,27332,27722,30820,38806,42539,43498,49712,49819,53889,55959,55973,56927,56953
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[O:2].[C:3](=[O:4])(-[c:5])-[Cl:6]	27	2893,2947,3950,4159,4251,4771,5291,5455,6601,6807,10063,21809,22292,25864,28612,30330,32801,33075,33882,46300,49255,52472,53606,54124,54407,55253,56047
+[c:1]-[C:2](=[O:3])-[N:5](-[O:4])-[C:6]>>[c:1]-[C:2](=[O:3])-[O:7].[O:4]-[N:5]-[C:6]	27	3079,6348,6364,18257,27906,33370,33567,34455,36115,36213,36314,38465,38486,38956,39137,39232,41496,41500,41505,41508,41511,41513,41514,41520,41521,41523,41550
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1](:[c:2])(:[c:3])-[Br:7].[O:4](-[B:5](-[O:6]-[C:15](-[C:16])-[C:17])-[O:11]-[C:9](-[C:8])-[C:10])-[C:12](-[C:13])-[C:14]	27	3081,4009,8002,17378,19565,24694,26850,27182,27183,27186,27188,27190,27192,27193,27194,27198,27199,27200,27202,27203,27204,27206,27207,27208,27212,27213,27215
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]-[N:2].[C:3](=[O:4])=[N:5]-[c:6]	27	3462,4323,4959,4961,5233,7681,10009,12470,13469,15936,18680,19351,20498,22640,22654,23049,23081,24670,25627,25628,25661,29340,43677,48130,48674,49406,52574
+[C:1]-[C:2](=[O:3])-[O:4]-[C:6]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:4].[c:5]-[C:6]-[Br:7]	27	3474,6093,6331,6583,9212,16267,18213,21431,22798,23047,23233,23427,23435,25888,34420,40079,44117,44121,44134,44149,44160,44163,47336,48145,53441,55047,56195
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2]-[Cl:5].[N:3]-[C:4]	27	4413,4416,4432,4448,4681,5239,6063,10533,12463,15456,17789,22031,24406,29757,33502,37452,41816,41879,41887,41893,41904,41916,41957,41968,48367,48914,56280
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[O:9]-[S:6](-[C:5])(=[O:7])=[O:8]	27	4415,4973,5243,6538,7310,8863,10839,17501,18458,19443,23417,29193,30158,30165,30166,34224,37581,38440,39053,39250,41798,41800,41891,41917,45392,52895,53678
+[c:1]:[c:2](:[c:3]):[n:9]:[c:5](:[c:4])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[c:1]:[c:2](:[c:3]):[n:9]:[c:5](:[c:4])-[Cl:10]	27	4511,4512,7315,7761,7787,7788,7789,7803,8953,9018,9615,9665,14812,14920,15016,15052,15070,15128,15553,15688,15751,19683,23632,24772,32642,36269,41668
+[n:1]:1:[c:2]:[c:3](-[C:4]=[O:5]):[c:6]:[c:7]:1>>[n:1]:1:[c:2]:[c:3]:[c:6]:[c:7]:1.[C:4](=[O:5])-[N:9](-[C:8])-[C:10]	27	12158,19800,20344,27373,31087,32037,32060,32074,32075,32083,32136,32140,32141,32142,32167,32172,32176,32184,32192,32200,32218,32220,32221,32222,32230,32233,32234
+[C:1](-[C:2]-[Br:4])=[O:3]>>[Br:4]-[Br:5].[C:1](-[C:2])=[O:3]	26	135,138,174,203,232,234,251,294,297,298,306,318,321,325,342,350,356,362,366,370,395,409,414,426,458,466
+[c:1]-[O:2]-[C:3](-[C:4](=[O:5])-[O:6])-[C:7]>>[C:3](-[C:4](=[O:5])-[O:6])(-[C:7])-[Br:8].[c:1]-[O:2]	26	778,2508,2509,2510,2511,2512,2791,2793,2795,2796,2797,2799,2801,2802,2803,3281,10650,21498,26410,29696,29697,30569,38137,43350,43351,43352
+[s:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[n:7]>>[s:1]:[c:2](-[N:3]):[n:7].[C:4](=[O:5])(-[C:6])-[Cl:8]	26	1871,2382,2399,3925,4754,4755,5877,5881,7513,10596,10600,10604,10606,10625,12396,13637,14540,20716,24052,26197,29682,37290,39339,43991,44020,44027
+[C:1]-[C:2]-[N:3]-[c:4]>>[N:3]-[c:4].[C:1]-[C:2]=[O:5]	26	2029,2034,2035,2043,8964,10466,19441,19912,19949,20063,20228,23286,23288,24732,26552,26553,28764,29845,29846,29865,36136,41590,44588,44595,52264,52517
+[n:1]:[c:2](-[C:3]=[C:4](-[C:5](=[O:6])-[N:7])-[c:8]):[c:9]>>[n:1]:[c:2](-[C:3]=[O:10]):[c:9].[C:4](-[C:5](=[O:6])-[N:7])-[c:8]	26	3057,6090,7074,7163,7777,7778,7781,12825,12830,12831,13222,14953,15821,30245,30246,30251,30252,30253,31967,36522,41652,44647,44649,48661,49903,49904
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5].[C:1]-[C:2](=[O:3])-[O:6]	26	3803,3830,8996,16282,16283,16284,16286,16288,16291,16293,16294,20549,23447,26601,31208,31209,33265,34201,45535,47044,47143,47145,47149,47159,47173,52277
+[C:1]-[N:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])=[O:7].[C:1]-[N:2]	26	4578,4992,4993,5012,9977,9980,13292,14121,15961,16166,18483,19422,20487,26437,30194,33591,33597,34104,37404,41779,41782,41784,41874,41944,49184,49465
+[n:1]:[c:2]:[c:3]-[C:4]-[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:7]-[C:6]	26	6396,7627,15879,25302,26724,26835,32515,33288,34672,34720,35935,36013,39222,39265,39278,42392,48406,50134,54496,54615,54644,55852,57102,57219,57307,57308
+[c:1]-[C:2](-[N:3]-[N:4])=[O:5]>>[c:1]-[C:2](=[O:5])-[O:7]-[C:6].[N:3]-[N:4]	26	6500,6569,10017,14473,33598,34414,38724,38836,39322,39619,42167,42180,42192,42209,42227,42246,42257,42261,42262,42265,42269,42281,42282,42283,42284,42298
+[c:1]-[O:2]-[C:3]>>[c:1]-[O:2].[C:3]-[O:9]-[S:6](-[O:5]-[C:4])(=[O:7])=[O:8]	26	7563,8829,10359,10969,16047,27934,29428,34315,34430,35892,36448,38007,44656,45244,45829,45831,45832,45836,45837,45840,45842,45843,45846,45848,45849,45850
+[C:1]-[C:2](-[N:3]=[N+:6]=[N-:5])-[C:4]>>[C:1]-[C:2](-[C:4])-[O:11]-[S:8](-[C:7])(=[O:9])=[O:10].[N-:3]=[N+:6]=[N-:5]	26	7615,10960,18078,18413,18854,18855,20406,21964,22003,22332,22436,23235,23338,45190,45191,45192,45194,45826,45854,47944,47948,47966,47989,47995,48042,48047
+[C:1](-[c:2](:[n:3]):[c:4])-[Br:5]>>[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[C:1]-[c:2](:[n:3]):[c:4]	26	8183,8194,8242,8250,8257,8264,8266,8281,8307,8313,8348,8352,8355,8470,8518,8519,8525,8535,8536,8576,8577,8594,8625,8644,8743,8763
+[N:1]#[C:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:8]-[S:5](=[O:6])(=[O:7])-[C:9].[N:1]#[C:2]	26	12057,12065,12400,18804,18961,20019,20103,22136,22606,23533,24460,24802,24874,24880,26221,34074,37395,39719,39723,41023,41024,41025,41026,41032,41039,41175
+[n:1]:[c:2]:[c:3](-[Br:4]):[c:5]>>[n:1]:[c:2]:[c:3]:[c:5].[Br:4]-[Br:6]	25	123,157,167,184,204,219,244,246,249,254,259,263,269,279,287,320,330,340,376,381,394,433,450,451,452
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[C:5](-[Br:4])(-[Br:6])-[Br:7].[c:1]-[C:2]-[O:8]	25	481,482,483,488,500,501,504,505,508,511,518,522,526,532,540,542,546,547,548,554,558,559,560,562,564
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5](-[C:6])-[C:7]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:8].[N:5](-[C:6])-[C:7]	25	640,644,646,649,651,652,654,667,12692,14777,16020,18011,18110,18125,18153,18186,23998,25349,30639,30644,30648,30684,30688,30707,43236
+[c:1]:[c:2](-[O:3]-[c:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:6].[O:3]-[c:4]	25	1057,1064,3260,23216,24283,27664,27969,34525,36441,38661,38709,39726,44467,45646,48068,48655,50700,50980,50982,50985,51522,51583,52921,52927,53226
+[c:1]:[c:3](:[c:2])-[c:4](:[c:5]):[c:7]:[n:6]>>[c:1]:[c:3](:[c:2])-[Br:8].[c:4](:[c:5])(:[c:7]:[n:6])-[B:10](-[O:9])-[O:11]	25	1070,5010,7258,7964,10245,25335,27442,27651,28816,33821,36439,37976,45249,46430,46445,46483,46484,46485,46573,46756,46761,46766,46768,46771,46772
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10](-[C:9])=[O:11].[N:4]-[C:5]	25	1242,3052,3053,7766,9224,9226,9227,10981,11479,12187,13462,13463,13464,19087,20002,20244,20248,22191,22665,27099,28671,32327,46934,48505,49679
+[c:1]-[C:2]=[C:3]-[C:4]=[O:5]>>[c:1]-[C:2]=[O:6].[C:3]-[C:4]=[O:5]	25	1470,1471,1472,1473,2048,14433,17848,21609,25197,25554,25590,26284,32485,36291,36829,39635,44765,44767,48325,48444,49303,49321,51724,51926,54122
+[C:1]-[C:2](-[N:3]-[c:4]:[c:5]:[n:6])=[O:7]>>[C:1]-[C:2](=[O:7])-[Cl:8].[N:3]-[c:4]:[c:5]:[n:6]	25	1708,1712,2344,2345,2347,2418,3027,3893,4647,10185,10598,10615,12084,17284,17363,17364,23614,23615,28831,36909,38596,43327,43328,43329,43330
+[c:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1>>[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1.[c:1]-[C:2]-[Br:8]	25	1886,5899,6838,17861,28754,29487,30019,30878,31127,31172,34700,38355,38360,38433,44468,48186,48483,48669,48670,48671,48672,49190,50584,51002,56781
+[N:1](-[C:2]-[C:3])=[N+:5]=[N-:4]>>[C:2](-[C:3])-[Br:6].[N-:1]=[N+:5]=[N-:4]	25	2099,2105,5954,15832,19829,22903,23443,23821,32530,40016,41409,41413,43440,43444,43447,43590,44849,47897,47930,47942,48005,48013,48015,48046,48054
+[c:1]:[c:2](-[C:3]#[C:4]-[Si:7](-[C:6])(-[C:8])-[C:9]):[c:5]>>[c:1]:[c:2](:[c:5])-[I:10].[C:3]#[C:4]-[Si:7](-[C:6])(-[C:8])-[C:9]	25	3086,3256,4213,5997,10477,12959,24064,24276,27690,27968,33664,33665,33668,33677,33681,33682,33683,33687,33693,33701,33705,33706,33710,33712,33715
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[n:8]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:9]):[n:8]	25	3164,3438,4590,6384,10452,10537,12814,18378,20838,22077,22310,25991,26006,26616,31318,33962,33963,33964,39085,40378,40379,41772,41900,48793,49498
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[I:6].[c:1]-[O:2]	25	3204,3671,5434,6939,11302,12161,12163,23214,26905,26907,26908,26909,26914,26915,26917,26918,26919,26920,26922,26923,26928,26929,26931,26932,26936
+[n:1]:[c:2](-[C:3](-[N:4])=[O:5]):[c:6]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:9]-[C:8]-[C:7]):[c:6].[N:4]	25	3276,3353,6638,11420,20832,25957,26093,26211,27144,27642,30859,32463,32502,34443,36289,37895,39592,39668,40775,40840,40843,40922,40924,40961,40971
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[n:6]):[c:7])=[O:8]	25	5304,5633,6915,9803,10242,12772,13008,13674,13897,14707,14801,15577,15732,15773,18416,18418,18420,23851,29602,32584,32586,32617,32641,49584,49592
+[C:1]-[C:3](-[C:2])-[N:4]>>[C:1]-[C:3](-[C:2])=[O:5].[N:4]	25	7056,7443,7451,7908,9235,9391,9439,9996,18701,18888,18942,22117,22800,26441,26577,36186,37390,37872,38632,39572,40796,40856,40861,40906,40950
+[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:[c:9]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[n:2]:[c:3]:[c:4](:[n:8]:[c:9]:1)-[Cl:10]	25	7632,7669,9707,9867,13153,13598,13703,13819,14658,14836,15658,16216,16395,19665,19681,19700,23004,23633,23660,27098,32623,36737,41662,52730,56887
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:5](=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]	25	8008,21670,37207,37208,37210,37217,37218,37220,37224,37227,37231,37233,37234,37235,37469,37483,37484,37491,37494,37495,37501,37503,37505,37507,38648
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:10]-[C:8](-[C:7])=[O:9]	25	9646,9669,9777,11126,11612,13800,13801,16830,16832,16902,16922,16969,16975,16993,17004,17005,17012,17019,17035,17069,17079,17086,17099,17110,44463
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:8]>>[c:6](:[c:7])(:[c:8])-[Br:9].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[B:14]-2-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-2)(-[C:17])-[C:18]	25	9837,9844,10338,11962,12900,14295,26993,27302,28518,28520,28521,28522,28524,28530,28980,28982,28983,28984,28985,29256,29263,29266,29268,29291,29292
+[O:1]-[c:2]:[c:4]:[n:3]>>[O:1](-[c:2]:[c:4]:[n:3])-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1	25	12873,18306,18307,22338,23295,25097,25612,27313,39239,52649,52651,55397,56627,56689,56692,56693,56695,56696,56697,56698,56779,56831,56866,56867,56872
+[c:1](:[n:2]):[c:3]-[N:4]-[S:5](=[O:6])(=[O:7])-[c:8]>>[c:1](:[n:2]):[c:3]-[N:4].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:9]	25	12961,24168,27683,34662,38917,38918,38919,39043,42434,42571,42572,42629,45449,45450,45452,45455,45470,45489,45503,45507,45941,46160,49737,51886,56997
+[c:1](:[c:2]):[n:8]:[c:4](:[c:3])-[N:5](-[C:6])-[C:7]>>[c:1](:[c:2]):[n:8]:[c:4](:[c:3])-[Br:9].[N:5](-[C:6])-[C:7]	24	1118,1123,1211,7810,7936,9432,9723,12748,12771,13663,13755,14910,15026,15481,16196,18662,19129,19468,19673,20327,27048,39909,41667,48809
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:7].[N:5]-[c:6]	24	1637,1640,1641,1645,1647,1648,1649,1652,1655,1656,1657,1658,1659,1660,1662,1665,1668,1674,1678,1679,1680,12628,14321,51566
+[C:1](-[C:2])(-[O:3]-[C:4])=[O:5]>>[C:1](-[C:2])(-[O:3])=[O:5].[C:4]-[I:6]	24	1697,4021,10525,13162,18927,19982,22252,22299,23253,23262,23845,24186,24879,25839,26758,31664,31667,31709,31745,31780,31806,31822,31829,31839
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[c:1]-[N:2]=[C:3]=[O:4]	24	3433,3542,3543,8033,8039,12730,13795,14749,14886,15054,18351,22303,22471,25692,29879,30857,39009,39423,39426,39524,40631,43115,50560,51190
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2](=[O:4])-[O:6]-[C:5].[N:3]	24	3559,7939,10348,13060,18094,18542,19995,20202,27027,31957,32436,32446,32450,37132,40656,40767,40830,40880,40898,40914,40939,40960,41001,41008
+[C:1]-[O:2]-[Si:3](-[c:4])(-[c:5])-[C:6]>>[C:1]-[O:2].[Si:3](-[c:4])(-[c:5])(-[C:6])-[Cl:7]	24	3793,4166,4250,4546,7050,7143,7610,9223,9947,14859,15276,16483,17217,25824,25927,33385,43725,43930,47002,49266,49699,53073,53074,53075
+[O:1]=[C:2](-[O:3])-[c:4]>>[C:2](-[c:4])#[N:7].[O:3]-[C:6]-[C:5].[O:1]	24	4551,14036,26100,27339,30297,30299,30317,30324,30344,30350,30355,30356,30359,30360,30361,30362,30363,30364,30365,30370,30376,30378,30379,30383
+[c:1]-[C:2](-[N:3]-[c:4](:[c:5]):[n:6])=[O:7]>>[c:1]-[C:2](=[O:7])-[Cl:8].[N:3]-[c:4](:[c:5]):[n:6]	24	4780,6195,6458,14260,24320,29107,29108,31091,31092,34752,36003,36930,38363,38388,42667,42777,48579,49163,49573,49626,50123,53688,55126,55800
+[n:1]:[c:3](:[c:2])-[C:4]#[N:5]>>[n:1]:[c:3](:[c:2])-[C:4](-[N:5])=[O:6]	24	6158,11283,11807,12999,27136,32466,34532,39588,48380,49939,50143,50258,51088,51357,52182,52801,53018,53271,55632,55703,55805,56782,57237,57323
+[N:1](-[C:2]-[C:3])(-[C:4]=[O:5])-[C:8]=[O:7]>>[C:2](-[C:3])-[O:6].[N:1](-[C:4]=[O:5])-[C:8]=[O:7]	24	6493,7274,12986,13285,16052,19053,20008,20139,22392,22472,37562,41634,46267,50107,50459,50626,52202,54778,55817,55818,55819,55822,55823,55827
+[c:1]-[N:2]=[C:3]=[S:4]>>[c:1]-[N:2].[C:3](=[S:4])(-[Cl:5])-[Cl:6]	24	10400,11376,11825,17273,25742,25783,25784,34970,34971,34972,34973,34974,34975,34976,34978,34979,34980,34981,34984,34985,34986,34987,34988,34989
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:7](=[O:6])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	24	13986,17443,18990,20259,20281,21528,21576,21658,22126,22179,23997,25790,31883,38133,51995,56432,56436,56440,56449,56516,56529,56538,56539,56540
+[c:1]-[C:2](=[O:3])-[c:4]>>[c:1]-[C:2](-[O:3])-[c:4]	24	17383,17394,17400,17536,17549,33996,36135,39414,40256,40311,46880,49079,49410,50732,50976,51174,51212,51655,52071,53088,53802,54423,56073,56074
+[c:1]-[S:2](-[N:3])(=[O:4])=[O:5]>>[c:1]-[S:2](=[O:4])(=[O:5])-[Cl:6].[N:3]	24	38032,39767,40681,40682,40683,40684,40685,40686,40687,40688,40689,40690,40701,40702,40703,40704,40706,40710,40711,40712,40714,40757,40863,40905
+[C:1]-[O:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])-[Br:7].[C:1]-[O:2]	23	636,643,675,4346,7342,11786,12636,16270,17485,18108,18115,18124,18128,18137,18148,18155,18156,18165,30636,30656,30700,30718,30724
+[c:1]:1:[c:2]:[n:3](-[C:4]-[C:5]):[n:6]:[c:7]:1>>[C:4](-[C:5])-[Br:8].[c:1]:1:[c:2]:[n:3]:[n:6]:[c:7]:1	23	745,772,3697,3761,4847,5173,5746,5755,6997,10128,10779,10794,15277,15413,16257,16320,28986,29809,30835,43070,43136,44855,51227
+[C:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[C:1]-[C:2]-[Br:9].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	23	788,813,1548,2190,2958,2959,3302,3771,3903,5757,5767,8972,8973,9846,16252,17654,26675,29623,29818,30972,30974,43727,48129
+[c:1](:[n:2]:[c:3](-[N:4]-[C:5]):[c:6]):[c:7]>>[c:1](:[n:2]:[c:3](:[c:6])-[Br:8]):[c:7].[N:4]-[C:5]	23	1117,1125,1129,1209,4148,10743,11066,12166,13236,14212,14432,14548,22652,27502,30169,30217,31251,41807,42110,44287,52346,52650,56218
+[c:1](:[n+:2](:[c:3]:[c:4])-[O-:6]):[c:5]>>[c:1](:[n:2]:[c:3]:[c:4]):[c:5].[O:6]-[O:7]	23	1199,6670,16092,17418,25078,25491,33577,34721,34722,36908,39300,39781,39837,39840,43252,47252,47253,47269,47287,47297,47303,47322,47323
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:7]-[C:6]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8].[C:6]-[O:7]	23	1942,1943,5142,17715,25301,27165,28776,30303,30342,30346,30415,30436,30519,32734,32754,32818,32917,32923,32924,32932,33002,33040,33070
+[C:1](-[C:2])-[I:3]>>[C:1](-[C:2])-[O:5].[I:3]-[I:4]	23	2556,19992,20400,22607,22695,22909,24162,31212,33555,37817,40011,40508,40521,40532,40538,40550,40551,40552,40553,40573,40574,40575,40582
+[C:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4]-[S:5]	23	3553,6232,7690,7691,10057,10501,10900,12160,20093,20448,23496,26716,27367,34673,36416,39351,39824,40150,40151,42367,44113,45161,51744
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1):[c:9]>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:10].[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13]	23	4210,8025,13287,15873,17552,18615,19335,19336,22998,25099,27687,32406,34364,34689,38056,39559,43310,46695,46696,46698,46722,46726,49605
+[c:1]:[c:2](-[N:3]-[c:4](:[n:5]):[c:6]):[n:7]:[c:8]:[c:9]>>[N:3]-[c:4](:[n:5]):[c:6].[c:1]:[c:2](:[n:7]:[c:8]:[c:9])-[Cl:10]	23	4687,6333,11293,11294,11332,11335,12845,13592,17895,17896,19375,22330,27430,27883,32451,33282,33283,37052,39888,42578,48999,49816,54813
+[C:1]-[C:2]-[C:3]-[O:4]>>[C:1]-[C:2]=[C:3].[O:4]-[O:5]	23	4725,7332,22007,24716,25822,32306,39632,47261,47272,47275,47276,47277,47280,47282,47290,47294,47296,47298,47304,47307,47308,47313,47315
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]>>[C:1]-[C:2](=[O:3])-[O:10].[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]	23	4913,4914,10454,13081,13082,13083,13084,16187,17517,18079,19419,20029,22028,22897,23256,23838,26486,39104,40217,43437,46864,50845,54576
+[c:1]:[c:2](-[N:3]-[c:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1):[n:10]>>[c:4]:1(:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:11].[c:1]:[c:2](-[N:3]):[n:10]	23	5065,9915,11333,11334,11337,12253,24325,27364,27429,36876,36936,36974,37016,42762,42763,42765,42769,42770,42772,42773,48928,49636,50683
+[C:1]-[C:2](-[C:3])=[N:4]-[O:5]>>[C:1]-[C:2](-[C:3])=[O:6].[N:4]-[O:5]	23	6054,7426,9316,9436,11576,11873,11900,12577,17311,18700,28697,31210,32274,33259,34936,38147,47063,47066,47089,47090,47091,47138,47140
+[n:1]:[c:2]:[c:3]-[C:4]-[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:7]-[C:6]	23	12647,14312,20846,27577,27578,31100,31114,31118,34329,39590,48216,48310,48966,49185,51802,52428,52768,53040,54632,54661,54993,56186,56703
+[N:1]-[C:2]>>[N:1]-[C:2](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:8]	23	18449,18850,18908,19099,19103,19742,19887,20700,22423,22756,22902,23060,23122,23238,23585,23596,23755,24031,24097,24098,25374,38950,56300
+[C:1]-[O:2]>>[C:1]-[O:2]-[Si:4](-[C:3])(-[C:5])-[C:6]	23	34170,34177,34178,34179,34180,34181,34182,34183,34184,34185,34186,34187,34188,34191,34192,34193,34194,34195,34196,34197,34199,34200,38109
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[C:4](-[c:5])(-[C:6]-[Br:9])=[O:8].[N:1]-[C:2](-[N:3])=[S:7]	22	729,3690,9310,10892,26700,31937,34462,34463,37525,39539,41988,42056,42059,42063,42064,42068,42070,42073,42074,50827,51993,54713
+[C:1]-[C:2](-[N:3]-[N:4])=[O:5]>>[C:1]-[C:2](=[O:5])-[O:6].[N:3]-[N:4]	22	2847,6305,9543,10715,10808,12105,17125,17182,17449,23711,23764,24920,24934,26389,28784,39564,42175,42266,48174,50749,51340,54196
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]:[c:9]:1>>[c:1]:1:[n:2]:[c:3](:[c:7]:[n:8]:[c:9]:1)-[Br:10].[c:4](:[c:5])(:[c:6])-[B:12](-[O:11])-[O:13]	22	2906,6494,9163,14337,22835,26809,27021,42755,42784,42801,42802,42807,42808,46420,46452,46597,46662,46711,46718,49606,52896,53274
+[c:1]-[S:2](-[C:3])=[O:4]>>[c:1]-[S:2]-[C:3].[O:4]-[O:7]-[C:6](=[O:5])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12](-[Cl:13]):[c:14]:1	22	2932,5976,8014,9887,10059,16806,22589,26866,27581,28844,36532,36542,36545,36546,36560,36615,36629,36650,36662,36670,36673,36686
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[c:1]:[c:2]:[c:6].[C:3](=[O:4])(-[c:5])-[O:7]	22	4073,6365,17730,33368,33487,35865,36118,36315,36371,36851,46879,48784,49166,50445,50611,51044,51749,52908,53872,54311,55483,55484
+[n:1]:[c:2]:[c:8]:[n+:6](:[c:4](:[c:3]):[c:5])-[O-:7]>>[n:1]:[c:2]:[c:8]:[n:6]:[c:4](:[c:3]):[c:5].[O:7]-[O:11]-[C:10](=[O:9])-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16](-[Cl:17]):[c:18]:1	22	4909,18495,20422,20495,20546,23858,23874,23937,25819,26060,26062,36556,36597,36599,36619,36628,36631,36661,36680,36681,36692,36693
+[c:1]-[N:2]-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]>>[c:1]-[N:2].[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:8]	22	5056,5057,5058,9766,11581,14068,14069,27472,36788,36963,36965,36972,36973,37021,37025,37081,37082,37083,37084,42651,49362,52847
+[C:1]-[N:3](-[C:2])-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[C:1]-[N:3]-[C:2].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[F:9]	22	5736,7662,7811,7876,9278,9624,12734,13021,13698,13798,14039,14851,14919,15654,19639,22785,29567,32675,32690,32697,38120,39775
+[c:1]:[c:2](-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]):[c:8]>>[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:18].[c:1]:[c:2](:[c:8])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	22	5937,10417,13246,28322,28365,28389,28404,28411,28417,28419,28422,28427,28942,28992,29009,29011,29029,29040,29046,29120,29182,29198
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2]-[Cl:4].[I:3]	22	6059,6171,24241,25878,28567,31237,36054,40366,40413,40414,40417,40434,40446,40463,40465,40470,40471,40473,40474,40475,40476,40482
+[N+:1]-[C:2]-[C:3]-[c:4]>>[N+:1]-[C:2]=[C:3]-[c:4]	22	8003,33402,33568,35962,36074,39145,39430,40297,43521,46246,47791,47792,47793,48427,50232,51018,51334,51518,51519,55317,56154,56632
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5]-1):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[C:3]-1(-[C:4]-[C:5]-1)-[B:9](-[O:8])-[O:10]	22	11288,18546,19071,25206,39028,39791,42475,42619,42623,46360,46364,46365,46369,46370,46371,46372,46373,46374,46377,46378,46380,46382
+[N:1](-[C:2])-[C:5]-[C:4]=[C:3]>>[N:1](-[C:2])(-[C:5]-[C:4]=[C:3])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	22	18823,18890,18909,18915,18917,18923,19376,19377,19412,19431,22048,22402,22403,22404,22405,22406,22407,22412,22415,22417,22772,39895
+[c:1]:1:[c:2]:[n:3](-[S:4](=[O:5])(=[O:6])-[c:7]):[c:8](:[c:9]):[c:10]:1>>[c:1]:1:[c:2]:[n:3]:[c:8](:[c:9]):[c:10]:1.[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:11]	22	19106,20879,23150,39540,44686,44691,45457,45492,45496,45903,45978,48162,49209,49897,50191,50208,51143,51153,52539,53928,55656,56838
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[B:14](-[O:13])-[O:15].[c:3](:[c:4])(:[c:5])-[O:8]-[S:17](=[O:7])(-[C:9](-[F:10])(-[F:11])-[F:12])=[O:16]	22	20781,24180,25563,38262,38263,38266,38272,38274,38275,38278,38279,38288,38289,38290,38292,38294,38296,38309,38310,38312,38313,38314
+[c:1]:[c:2](:[c:3])-[Br:4]>>[Br:4].[c:1]:[c:2](:[c:3])-[N:5]	21	2,32,43,52,57,58,60,62,64,66,73,81,84,85,86,88,89,101,102,103,111
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:5].[C:1]-[N:2]	21	903,2157,5382,6260,6452,12188,17752,17868,18262,25225,26973,29984,36750,38432,41787,41866,41877,41907,41938,46927,54754
+[c:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1>>[c:1]-[C:2]-[Br:8].[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1	21	910,1507,20874,23478,24263,34702,35914,36146,36803,38025,38179,48132,48133,48494,48495,52054,53097,53206,53474,56197,56202
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[I:16].[B:3](-[O:4])(-[O:5])-[B:11]-1-[O:10]-[C:8](-[C:7])(-[C:9])-[C:13](-[O:12]-1)(-[C:14])-[C:15]	21	1891,13964,14063,16127,23508,25841,28054,28080,28100,28101,28102,28124,28129,28152,28154,28167,28242,28243,28244,28247,28252
+[s:1]:[c:2](-[N:3]-[C:5](-[C:4])=[O:6]):[n:7]>>[C:4]-[C:5](=[O:6])-[O:8].[s:1]:[c:2](-[N:3]):[n:7]	21	2472,5082,10203,10291,10714,12109,12112,12114,12133,12134,12135,12296,12920,18553,23204,23933,38469,42795,42844,42845,44185
+[C:1]-[C:2]-[C:3]-[c:4]>>[C:1]-[C:2]=[C:3]-[c:4]	21	3049,3665,7419,7420,9296,9327,12631,16492,19948,25168,29614,39429,40344,48645,49145,50903,51711,53978,56230,56591,57285
+[c:1]:[c:5](:[n+:4]:[c:3]:[c:2])-[Cl:6]>>[c:1]:[c:5]:[n+:4]:[c:3]:[c:2].[Cl:6]-[P:8](=[O:7])(-[Cl:9])-[Cl:10]	21	4668,25424,35181,35205,35220,35237,35262,35264,35271,35312,35365,35366,35367,35379,35387,35404,35405,35406,35407,35479,35480
+[c:1]-[O:5]-[S:3](=[O:2])(=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]>>[c:1]-[O:5].[O:2]=[S:3](=[O:4])(-[C:6](-[F:7])(-[F:8])-[F:9])-[N:18](-[S:16](-[C:11](-[F:12])(-[F:13])-[F:14])(=[O:15])=[O:17])-[c:19]:1:[c:10]:[c:23]:[c:22]:[c:21]:[c:20]:1	21	5807,11308,28747,29471,38181,38182,38183,38185,38186,38187,38188,38189,38190,38191,38192,38193,38194,38195,38196,38197,38198
+[N:1]-1-[C:2](=[O:3])-[S:4]-[C:5](=[C:6]-[c:7])-[C:8]-1=[O:9]>>[N:1]-1-[C:2](=[O:3])-[S:4]-[C:5]-[C:8]-1=[O:9].[C:6](-[c:7])=[O:10]	21	7066,17819,33401,38149,44480,44482,44483,44484,44486,44487,44488,44489,44490,44491,44492,44493,44494,44495,44496,44497,44499
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](=[O:3])-[N:6](-[O:5]-[C:4])-[C:7]	21	10323,12596,18195,18459,19846,19922,20059,20375,21595,21849,21885,22631,23179,23181,26126,50533,52233,54720,54903,55685,56342
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1):[c:9]>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1)-[Cl:19].[c:1]:[c:2](:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	21	22199,28314,28324,28337,28396,28690,28948,28953,28989,29012,29025,29083,29089,29144,29145,29167,29220,29221,29230,29239,29242
+[C:1](=[O:2])-[C:3]-[Br:4]>>[Br:4].[C:1](=[O:2])-[C:3]	20	26,27,41,45,48,49,53,54,71,75,77,82,83,97,114,115,120,27949,53692,56152
+[C:1]-[C:2]-1(-[C:3])-[O:4]-[C:5]-[C:6]-[O:7]-1>>[C:1]-[C:2](-[C:3])=[O:7].[O:4]-[C:5]-[C:6]-[O:8]	20	1699,3206,5208,5568,7618,8879,9171,9181,13356,17319,26335,26483,36445,46953,46955,46958,46981,46985,46989,46991
+[C:1](-[c:2]:[c:3]:[n:4])-[O:5]>>[C:1](-[c:2]:[c:3]:[n:4])(-[O:5])=[O:6]	20	1904,6366,7158,11611,24411,27636,34574,35971,39599,39939,40135,43527,43536,43620,48263,49003,50048,51790,57019,57103
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+[C:1]-[N:2]-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]>>[C:1]-[N:2].[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:8]	20	3947,4422,9216,9250,9251,11018,11580,12574,22639,23015,24744,36966,36970,37023,37024,41846,41963,45152,52765,53825
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+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1.[C:7](=[O:8])(-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])-[O:16]-[C:14](=[O:15])-[O:21]-[C:18](-[C:17])(-[C:19])-[C:20]	20	6209,6344,20902,20946,20965,20968,21047,21051,21070,21080,21106,21110,21143,21146,21148,21180,21193,21237,21346,21352
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+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]>>[c:4](:[c:5])(:[c:6])-[Br:8].[n:1]:[c:2]:[c:3](:[c:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	20	8874,10255,13618,13950,15786,23463,28383,28497,28498,28501,28941,29017,29069,29079,29080,29081,29270,29274,29275,29278
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+[O:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[O:4]-[C:5]	19	1826,1838,1849,3796,5314,10919,10980,11787,13156,13576,25298,25769,25770,30788,31123,36442,37615,38972,51264
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5]-[c:6]	19	1956,1958,1959,1974,1981,1984,1996,2004,2007,2009,2011,2012,11751,11859,15262,39484,41416,45945,50652
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+[c:1](:[n:2]:[c:3](-[Br:4]):[c:5]):[c:6]>>[Br:4]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1](:[n:2]:[c:3]:[c:5]):[c:6]	19	3254,8164,8171,8184,8198,8327,8370,8394,8464,8616,8619,8622,8623,8693,8716,8724,8725,8726,8734
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+[c:1]:[c:2](-[S:3]-[C:4]):[c:5]>>[S:3]-[C:4].[c:1]:[c:2](:[c:5])-[F:6]	19	4887,9103,11233,15791,24413,24415,26988,27453,27454,31254,31256,31257,36107,38728,40341,40345,45977,47454,47460
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[O:2].[C:3](-[c:4](:[n:5]):[c:6])-[Cl:7]	19	5598,10664,33583,35144,35146,35148,35150,35151,39298,44780,45253,48597,49035,49794,49795,49796,49797,49798,55042
+[c:1]:1:[c:2]:[n:3]:[c:4](-[C:5]=[O:6]):[c:7]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:7]:1.[C:5](=[O:6])-[N:9](-[C:8])-[C:10]	19	6149,12826,13221,15816,18635,31089,32038,32039,32121,32146,32164,32165,32188,32190,32201,32226,32235,32236,32237
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+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[O:2].[c:3](:[c:4])(:[c:5])-[Cl:6]	19	6283,19527,27813,33542,34479,36219,36342,36407,36427,36432,39505,48079,48321,48540,49343,49344,49345,50474,55481
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[c:6])-[C:7]>>[N:5](-[c:6])-[C:7].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	19	7554,11195,16068,16077,24128,25701,25745,26811,26812,28798,38868,39287,45471,45504,45950,46003,49886,51378,56406
+[N+:1]-[C:2]=[C:3]-[c:4]>>[C:3](-[c:4])=[O:5].[N+:1]-[C:2]	19	8004,29881,36075,38949,39148,39438,44653,44661,44772,44791,46190,47776,47777,47779,47780,47781,47786,47788,47789
+[c:1]-[N:2](-[C:3])-[S:4]>>[c:1]-[N:2]-[S:4].[C:3]-[I:5]	19	9037,19259,19542,26697,31420,31525,31526,31527,31538,31539,31544,31547,31548,31553,31556,31764,31787,31803,31804
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[c:1]-[O:2].[C:3](-[C:4])(-[C:5])-[O:6]	19	10279,10284,11791,12516,12518,12522,13565,19161,19166,19168,19169,19175,24833,27037,27038,27164,27172,27909,46088
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2]#[N:3].[N-:4]=[N+:5]=[N-:6]	19	11698,19438,23968,26658,26980,34581,37951,39098,47954,47960,47965,47998,48011,48012,48014,48035,48040,48045,48048
+[N:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[N:1]#[C:2]-[c:3](:[n:4]):[c:5]	19	12535,15395,37465,37701,38935,39072,39928,39999,41391,43523,48759,49014,52987,53066,55337,55741,56621,57011,57194
+[O:1]-[B:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Br:7].[O:1](-[B:2](-[O:3]-[C:11])-[O:9]-[C:8])-[C:10]	19	12926,17553,26872,33406,34432,36110,43084,43086,43087,43090,43091,43092,43093,43094,43098,43100,43104,43106,43107
+[C:1]=[C:2]-[C:3]-[c:4](:[c:5]-[O:6]):[c:7]>>[C:1]=[C:2]-[C:3]-[O:6]-[c:5]:[c:4]:[c:7]	19	17389,25331,25460,32027,34386,34597,36068,37785,43480,44668,48365,50055,51742,52068,53240,54316,55351,57089,57367
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[C:2]#[N:3].[N-:4]=[N+:5]=[N-:6]	19	17799,19125,22273,25797,41332,42738,47910,47937,47958,47963,47969,47970,47971,47973,47996,48010,48032,48053,48061
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1](:[c:2])(:[c:3])-[O:20]-[S:18](=[O:17])(=[O:19])-[C:21](-[F:7])(-[F:22])-[F:23].[O:4]-[B:5](-[O:6])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16]	19	23064,27989,28027,28028,28029,28030,28031,28032,28033,28034,28035,28037,28038,28039,28041,28042,28043,28044,28195
+[C:1](-[O:2])=[O:4]>>[C:1](-[O:2]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:3]:[c:10]:1)=[O:4]	19	27580,27617,39914,46227,48796,52536,52537,52597,52646,53328,56468,56470,56471,56472,56474,56527,56564,56566,56626
+[N:1]-[N:2]-[c:3]>>[N:2]-[c:3].[N:1](=[O:4])-[O:5]	19	37547,37625,40093,40215,42670,42671,42716,42732,45247,45274,47212,47216,47219,47222,47231,47232,47239,47243,47244
+[c:1](:[c:2])(:[c:3])-[Br:4]>>[Br:4].[c:1](:[c:2]):[c:3]	18	15,16,20,22,24,25,28,29,34,37,38,46,50,65,69,70,96,99
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[c:6]>>[C:3](=[O:4])(-[C:5])-[O:7].[C:1]-[N:2]-[c:6]	18	637,5083,5994,6183,6234,6310,9246,14339,15806,18414,19869,24456,25035,25637,29765,51048,52759,54390
+[c:1]:[c:2](-[O:3]-[C:4]):[n:5]:[c:6]:[c:7]>>[c:1]:[c:2](:[n:5]:[c:6]:[c:7])-[F:8].[O:3]-[C:4]	18	1181,1182,10101,10910,12824,14479,15369,19597,22017,26198,27173,28812,32303,33192,33193,37897,38795,48230
+[c:1]:[c:2](:[c:3])-[n:8]:1:[c:4]:[c:5]:[n:6]:[c:7]:1>>[c:4]:1:[c:5]:[n:6]:[c:7]:[n:8]:1.[c:1]:[c:2](:[c:3])-[F:9]	18	1215,9135,12544,21378,33382,38789,39253,40306,45285,46049,48304,49030,50796,51202,51637,51859,54718,54824
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[C:6])=[O:8]):[c:7]:1>>[C:5](-[C:6])(=[O:8])-[Cl:9].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:7]:1	18	2291,2306,2384,26445,27987,29667,29714,31159,33347,34822,34824,40183,43958,43972,43975,44034,50196,52220
+[O:1]-[C:2]-[O:3]-[C:4]>>[O:3]-[C:4].[O:1]-[C:2]-[Cl:5]	18	3555,4088,5264,5358,5828,5829,5831,5832,5835,5838,5852,5867,5991,26058,26085,33893,37565,54404
+[C:1](-[C:2](-[C:3]-[C:4])-[c:5])(=[O:6])-[O:7]>>[C:3](-[C:4])-[I:8].[C:1](-[C:2]-[c:5])(=[O:6])-[O:7]	18	4185,4187,4874,4876,6243,12145,12146,12147,12148,12149,12150,12151,12152,12153,16240,29944,30071,30086
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:1>>[N:6]-[C:7].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:8]:1)-[S:9](=[O:10])(=[O:11])-[C:12]	18	4362,4410,4479,4493,9499,11000,11059,14428,15454,20439,25883,27886,28592,28593,28713,32324,41812,46225
+[c:1]:[n:8]:[c:4](:[n:3]:[c:2])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[c:1]:[n:8]:[c:4](:[n:3]:[c:2])-[Cl:9]	18	4531,9635,11582,11597,11599,13680,14569,15569,15599,15657,15765,15769,22328,27084,28725,32565,36964,37080
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[N:1]-[C:2](=[O:3])-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1	18	5312,11510,11534,12995,14113,14745,14864,14918,15151,15207,19721,26489,27392,32568,39910,46261,51889,52937
+[C:1](-[c:2])-[Cl:3]>>[C:1](-[c:2])-[O:8].[Cl:3]-[S:5](-[C:4])(=[O:6])=[O:7]	18	5385,16421,19752,22052,26263,28632,28896,36368,43585,44917,44944,44951,44991,45049,45072,45091,45131,45135
+[c:1]:1:[n:2]:[c:3](-[Br:4]):[c:5]:[n:6]:[c:7]:1>>[c:1]:1:[n:2]:[c:3]:[c:5]:[n:6]:[c:7]:1.[Br:4]-[N:13]-1-[C:8](-[C:9]-[C:10]-[C:11]-1=[O:12])=[O:14]	18	5711,5718,8079,8111,8137,8142,8208,8210,8217,8286,8321,8415,8579,8701,8759,8764,8766,8770
+[c:1]:[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[n:7]:1:[c:8]:[c:9]>>[C:4](-[c:5])(-[C:6]-[Br:11])=[O:10].[c:1]:[c:2](-[N:3]):[n:7]:[c:8]:[c:9]	18	6046,20835,23436,38498,39087,39407,42820,42824,42826,42838,48308,49813,49818,53532,53718,54524,55035,55507
+[C:1]-[S:2](=[O:3])-[C:4]>>[C:1]-[S:2]-[C:4].[O:3]-[O:7]-[C:6](=[O:5])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12](-[Cl:13]):[c:14]:1	18	7311,14625,18324,18753,18808,19405,23792,25172,26717,31888,36535,36537,36553,36566,36621,36652,36655,36684
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[C:1]-[C:2](=[O:9])-[O:10].[N:3]-[c:4](:[c:5](:[c:6])-[N:8]):[c:7]	18	9632,12413,14514,19880,20039,20045,22012,23266,26854,29830,36768,40036,40037,40220,42443,42449,42581,52952
+[C:1]=[C:2]-[c:3]>>[C:2](-[c:3])=[O:4].[C:1]-[P+:9](-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:23]:[c:22]:1)(-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2)-[c:16]:3:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:3	18	11345,20200,21570,24448,27485,27486,27550,32483,32487,39203,44699,44790,44815,48434,48457,50038,54125,54847
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[C:6]>>[c:1]-[O:2].[S:3](=[O:4])(=[O:5])(-[C:6])-[Cl:7]	18	12633,12634,17483,17487,23429,28624,29001,36051,36451,41568,44884,44892,44899,45073,45079,45082,45420,45421
+[c:1](:[n:2]:[c:3](:[c:4]):[c:5]):[c:6]:[n:7]>>[c:1](:[n+:2](:[c:3](:[c:4]):[c:5])-[O-:8]):[c:6]:[n:7]	18	13140,18494,19228,20428,20547,23861,23863,23873,23935,25820,25967,26035,26064,36466,52622,54783,56836,56839
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]>>[c:1]-[N:2].[C:3](=[O:4])(-[N:5])-[O:10]-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:1	18	14037,14429,18847,25484,25487,25488,25759,32308,38818,45310,49811,50662,50858,51455,51456,52829,52936,52946
+[C:1](-[c:2]:[c:4]:[n:3])-[Cl:5]>>[C:1](-[c:2]:[c:4]:[n:3])-[O:9].[Cl:5]-[S:7](=[O:6])-[Cl:8]	18	15985,27583,34575,34726,35578,35593,35599,35601,35661,35670,35696,35718,35784,35785,35792,35794,35805,35827
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[N:4](-[C:5])-[c:6].[c:1]-[C:2](=[O:3])-[Cl:7]	18	16406,20171,25350,25503,34588,37239,38002,38020,43786,45597,47427,48191,48289,49417,49889,50925,53603,53604
+[c:1]-[C:2](-[C:3])-[O:4]>>[c:1]-[C:2]=[O:4].[C:3]-[Mg:6]-[Br:5]	18	17621,24335,27069,44620,44637,44729,44732,44734,44822,45182,47558,47562,47569,47571,47572,47573,47574,47580
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:15]:[c:14]:1)(=[O:12])=[O:13].[c:3](:[c:4])(:[c:5])-[O:16]	18	19444,19445,19446,19447,20453,34335,36383,37846,46091,46093,49665,51427,52438,53979,53984,53987,55064,55451
+[c:1]:[c:2](-[N:3]):[n:4]>>[c:1]:[c:2](-[N:3]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]):[n:4]	18	20699,20748,20809,20841,20847,20849,20853,20857,20858,20859,24036,24104,24167,24213,24214,24215,24220,24225
+[c:1]-[C:2]-[c:3]>>[c:1]-[C:2](-[c:3])-[O:4]	18	20702,27731,38088,40312,50400,50975,52061,52062,52680,53534,53700,53800,53801,53851,55129,55132,55478,56388
+[O:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[O:1]=[C:2]-[c:3](:[n:4]):[c:5]	18	24114,34571,34686,37914,39274,39921,43284,43515,44832,48758,49177,50255,50269,51345,52106,55686,56099,56392
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[s:7]):[n:8]>>[c:1](:[c:2](-[C:3](=[O:4])-[O:9]):[s:7]):[n:8].[N:5]-[C:6]	17	1253,1254,5073,6691,7760,10206,10865,26767,38404,39509,42002,42857,42858,50464,51327,51533,54330
+[c:1]:[c:2](-[C:3]#[C:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:6].[C:3]#[C:4]	17	1441,1461,6096,9041,15878,21755,21757,38521,39387,40042,40109,42689,43271,48582,53526,53655,54665
+[C:1]-[C:2]-[O:3]-[C:4](=[O:5])-[C:6]>>[O:3]-[C:4](=[O:5])-[C:6].[C:1]-[C:2]-[O:7]	17	2823,3800,4548,5206,6271,15843,22447,25816,30306,30345,30348,30391,30433,30455,30491,32383,46980
+[c:1]-[N:2]=[C:3]-[c:4]>>[c:1]-[N:2].[C:3](-[c:4])=[O:5]	17	3333,30025,34438,42560,43285,43286,44621,44705,44809,45288,48453,49361,50164,50910,54126,54872,55058
+[c:1](:[c:2]-[O:3]-[C:4]-[C:5]):[n:6]>>[C:4](-[C:5])-[Br:7].[c:1](:[c:2]-[O:3]):[n:6]	17	3720,3723,3751,3786,3956,5763,6824,8929,8975,8977,10787,16258,17794,23820,24911,29808,43078
+[O:1]-[C:2](=[O:3])-[C:4]>>[C:2](-[C:4])#[N:5].[O:1].[O:3]	17	3872,10150,10480,12968,15267,20767,25875,28700,34368,34496,35894,41315,42871,42874,42881,42882,42884
+[C:1]-[C:2]-[C:3]-[C:4]>>[C:1]-[C:2]=[C:3]-[C:4]	17	4080,6940,7192,7415,9321,9569,12580,15471,23526,23563,23601,37426,37453,43045,43268,51680,52243
+[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n:7]:[c:8]:1-[N:9]):[n:10]>>[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n:7]:[c:8]:1):[n:10].[N:9]	17	4195,4908,6666,8902,15440,25973,25976,26063,27151,27152,27280,27281,29356,40789,40790,40923,40989
+[C:1](=[O:2])(-[N:3])-[C:5](-[c:4])-[c:6]>>[C:1](=[O:2])(-[N:3])-[C:5](-[c:4])(-[c:6])-[O:7]	17	4225,5000,6829,10820,36446,36468,39991,47361,50468,51301,51375,52147,52148,52161,52163,52627,56142
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[O:13]-[S:10](-[c:9]:1:[c:8]:[c:7]:[c:6](-[C:5]):[c:15]:[c:14]:1)(=[O:11])=[O:12]	17	4425,4589,10234,11065,12185,13468,29898,29985,30213,41788,41801,41918,41934,41935,41936,41937,43598
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1)-[Cl:9]	17	4476,6537,9834,10219,10845,10854,12177,12478,13055,20173,23552,26142,40178,43340,50239,50562,52500
+[O:1]=[C:2]-[C:3]>>[C:2](-[C:3])=[C:4].[O:1]=[Os:6](=[O:5])(=[O:7])=[O:8]	17	4724,15872,16159,18967,21930,30568,38933,40276,45375,46254,46327,46329,46330,46336,46338,46340,46341
+[c:1](:[n:2]):[c:4](:[n:3])-[C:5](-[N:7]-[c:6])=[O:8]>>[c:1](:[n:2]):[c:4](:[n:3])-[C:5](=[O:8])-[O:9].[c:6]-[N:7]	17	5071,6144,14016,16147,25020,25021,25023,28580,29333,40179,42398,42747,42804,48221,52831,54663,55714
+[O:1]=[C:2](-[C:3]-[O:4]-[C:5])-[N:6]>>[O:1]=[C:2](-[C:3]-[Cl:7])-[N:6].[O:4]-[C:5]	17	5118,5134,10669,13154,15261,15794,22633,38142,46856,46928,46929,46930,50613,51315,52014,56039,56282
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[N:6])-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10](-[N+:8](=[O:7])-[O-:9]):[c:16]:[c:15]:1	17	5817,7652,13179,14621,14902,14913,14952,15999,16008,16010,16011,16013,16014,17840,26415,48913,51300
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[C:1]-[C:2](=[O:3])-[O:8].[N:4]-[c:5]:[c:7]:[n:6]	17	6182,10192,10516,10536,10561,11711,16244,16245,19453,22626,23358,28723,38468,41287,42528,45618,48716
+[O:1]=[C:2]-[O:3]-[C:4]-[c:5]>>[O:1]=[C:2]-[O:3].[C:4](-[c:5])-[Br:6]	17	6578,6800,24156,27840,34355,42493,42668,44763,49556,49565,49591,50299,50413,51760,53434,55509,55561
+[N:1]=[C:2]-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[N:9]>>[N:5]-[C:6]-[C:7](=[O:8])-[N:9].[N:1]=[C:2]-[C:3](=[O:4])-[O:10]	17	6774,6775,6776,6777,6779,8053,8054,9092,26828,26829,41402,41404,41406,41407,41408,41410,41471
+[c:1]:[c:2](-[O:3]-[c:4]):[c:5]>>[O:3]-[c:4].[c:1]:[c:2](:[c:5])-[B:7](-[O:6])-[O:8]	17	7479,10671,20340,20564,24327,29180,34508,37377,37521,37577,37578,39254,39606,43588,46517,46691,52923
+[n:1]:[c:2]:[c:3]-[N:4]>>[n:1]:[c:2]:[c:3]-[N:4]-[C:9](-[O:8]-[C:5](-[C:6])(-[C:7])-[C:11])=[O:10]	17	20650,20652,20657,20658,20679,20689,20747,20753,20762,20810,20812,20819,20833,24055,24096,24111,34103
+[N:1]-[C:2](-[C:3])-[c:4]>>[C:2](-[C:3])(-[c:4])=[O:5].[N:1]	17	21745,21775,26177,29425,30257,33295,33335,35948,35949,36254,36308,37643,38028,40355,40786,40925,40938
+[c:1]:[c:2](-[N+:3](=[O:4])-[O-:5]):[c:6]:[n:7]>>[c:1]:[c:2]:[c:6]:[n:7].[N+:3](=[O:4])(-[O-:5])-[O:8]	17	27675,34354,34683,37749,37750,40606,43885,47357,47602,47643,47647,47670,47673,47683,47698,47758,47764
+[C:1]#[C:2]-[C:3]-[O:4]-[c:5]>>[O:4]-[c:5].[C:1]#[C:2]-[C:3]-[Br:6]	16	1297,1299,1302,1304,1305,1307,1310,1311,1315,1316,1318,1321,1324,1325,1327,45825
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:5].[O:3]	16	1512,11982,15807,27008,29441,29528,42590,42894,42898,42921,42923,42936,42958,42959,42980,42989
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6](=[O:7])-[O:8])-[C:9]>>[C:1]-[C:2](=[O:3])-[O:10].[N:4](-[C:5]-[C:6](=[O:7])-[O:8])-[C:9]	16	1735,2494,5476,7019,7438,10421,12438,13085,18072,23202,23740,25365,36489,44208,55834,55977
+[O:1]-[C:2](=[O:3])-[C:4]>>[C:2](-[C:4])#[N:6].[O:1]-[C:5].[O:3]	16	2209,2214,7318,8984,9560,10139,32725,32829,32830,32832,32834,32835,32837,32838,32840,32842
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[N:4]	16	3534,16179,25430,38323,38805,38879,38921,38929,42466,42509,48237,49045,49330,50442,50526,54620
+[C:1]-[C:2]-[O:3]-[C:4]>>[C:1]-[C:2]-[I:5].[O:3]-[C:4]	16	3575,4171,4205,5964,7956,17545,19411,23924,26213,30046,30064,30079,30087,30096,30099,31238
+[c:1]:1:[c:2]:[n:3]:[c:4](-[O:5]-[C:6]):[n:7]:[c:8]:1>>[O:5]-[C:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[Cl:9]	16	4610,5187,5285,7851,9515,12024,12025,32928,33127,33164,45395,45687,52477,53145,53881,57289
+[c:1]-[C:2]-[O:3]-[c:4]:[c:6]:[n:5]>>[c:1]-[C:2]-[Br:7].[O:3]-[c:4]:[c:6]:[n:5]	16	6111,6112,9150,17874,26841,27305,36157,40374,49062,49202,49237,49374,51194,51509,53538,56204
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]:[n:9]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:10]):[c:8]:[n:9]	16	6292,7548,10836,17152,17253,17754,17755,20501,25924,25925,30218,36421,38350,38618,51537,52145
+[C:1]-[O:2]-[c:3](:[c:4]):[n:6]:[n:5]>>[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:7].[C:1]-[O:2]	16	6473,9097,12303,12539,13370,14384,14477,16170,24684,30417,30518,33061,34756,37614,51862,52416
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2):[n:11]:[c:12]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:11]:[c:12]:1)-[Cl:13].[N:5]-[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1	16	6564,10117,10406,10530,10732,16097,19344,19345,20257,22366,22803,26205,36770,37043,42754,55234
+[c:1](-[N:2]-[C:3](=[O:4])-[c:5]):[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5])-[O:8].[c:1](-[N:2]):[c:6]:[n:7]	16	6574,7052,9017,10327,14154,14430,17372,19821,34727,38037,39634,39813,39936,48706,48808,50377
+[c:1]-[C:2](-[O:3])-[c:4]>>[c:1]-[C:2](=[O:3])-[c:4]	16	7684,36091,38087,45678,49063,50098,50127,50969,51961,51965,53664,53850,53868,53873,54740,55123
+[c:1]-[O:2]-[C:3]-[C:4]#[N:5]>>[c:1]-[O:2].[C:3](-[C:4]#[N:5])-[Br:6]	16	9944,20773,22719,23965,41256,41257,41258,41260,41262,41263,41264,41265,41266,41267,41268,41269
+[c:1]:[c:2](-[N:3]-[c:4](:[n:5]):[n:6]):[c:7]>>[N:3]-[c:4](:[n:5]):[n:6].[c:1]:[c:2](:[c:7])-[Br:8]	16	10257,10258,12839,14257,15526,20766,37945,41364,45281,45282,48721,48722,51076,51209,51609,53472
+[c:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[c:1]:[c:2]:[c:5].[C:3]=[O:4]	16	12251,16583,16607,16610,16654,16656,16677,16704,16716,16720,16724,16730,16741,16742,16743,16756
+[n:1]:[c:2]:[c:8]:[c:4](:[c:3])-[c:5](:[c:6]):[c:7]>>[n:1]:[c:2]:[c:8]:[c:4](:[c:3])-[Br:9].[c:5](:[c:6])(:[c:7])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	16	13642,19319,24340,26083,26087,26088,26089,26090,28372,28476,29020,29032,29149,29160,29183,29209
+[B:1](-[O:2])-[O:3]>>[B:1](-[O:2])-[O:3]-[C:4]	16	14530,14531,25672,25681,27621,33197,33198,33199,43108,43109,43110,53197,54493,55477,55988,55989
+[O:1]=[C:2]-[c:3]>>[O:1]-1-[C:2](-[c:3])-[O:6]-[C:4]-[C:5]-1	16	14536,15306,15307,17619,23934,29835,43872,43873,43874,43875,43879,50430,53132,53133,53725,56308
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[c:5]:[n:7]):[c:8]>>[c:3](:[c:4])(:[c:6]:[c:5]:[n:7])-[Br:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	16	14596,15880,15978,24039,27150,38067,46615,46629,46640,46652,46655,46694,46705,49907,51211,51902
+[C:1](=[O:2])-[C:3]-[C:4](=[O:5])-[N:6]-[c:7]>>[C:1](=[O:2])-[C:3]-[C:4](=[O:5])-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11].[N:6]-[c:7]	16	18173,18174,18175,18176,18177,18178,18179,18180,18203,18204,18206,18207,18208,18210,20675,21638
+[C:1](=[O:2])-[N:3](-[C:4])-[C:5]>>[C:4]-[I:6].[C:1](=[O:2])-[N:3]-[C:5]	16	18947,19365,28398,28882,30856,31506,31624,31668,31734,31741,31761,31771,31777,31785,31788,31860
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]):[c:8]):[c:9]:1>>[c:6](:[c:7])(:[c:8])-[Br:10].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[B:12](-[O:11])-[O:13]	16	19508,25510,25511,25684,38762,39388,46742,46744,46749,48348,48349,48350,51133,51136,52388,53481
+[C:1]-[N:2]>>[C:1]-[N:2]-[S:7](-[C:4](-[C:3])(-[C:5])-[C:6])=[O:8]	16	19876,23737,24423,24424,24425,24426,24427,24428,24436,24437,24438,24440,24441,24442,24443,24445
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2]=[O:3].[O:4]	16	20052,24244,27638,27719,29490,36370,37670,42886,42893,42928,42934,42945,42964,42972,42982,42992
+[n:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[n:1]:[c:2](-[C:3]):[c:5].[O:4]=[Se:7]=[O:6]	16	22956,25180,33411,34711,35860,46342,46343,46344,46345,46346,46347,46348,46349,46350,46352,46354
+[c:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[c:1]:[c:2]:[c:5].[C:3](=[O:4])(-[O:6])-[C:7](-[F:8])(-[F:9])-[F:10]	16	25381,25467,27681,27715,27765,29477,35888,36734,37599,37601,37603,37604,37605,37606,37610,37611
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3](:[c:4]:[n:5]:1)-[C:13]-[O:12]-[C:11]-[C:10]-[Si:7](-[C:6])(-[C:8])-[C:9]	16	28681,33958,33974,34022,34023,34024,34025,34026,34027,34051,34053,34055,34056,34083,34084,34086
+[C:1]-[C:2](-[C:3]=[O:4])-[Br:5]>>[Br:5]-[Br:6].[C:1]-[C:2]-[C:3]=[O:4]	15	130,133,147,148,149,153,217,250,282,284,314,337,360,399,405
+[c:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]>>[c:1]-[C:2]-[Br:9].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]	15	906,2160,2161,2163,6363,6502,6510,14505,15357,15896,15917,34708,38515,38516,50513
+[O:1]-[N:2]=[C:3]-[c:4]:[c:5]:[n:6]>>[O:1]-[N:2].[C:3](-[c:4]:[c:5]:[n:6])=[O:7]	15	1580,9081,11198,33257,44693,44695,44753,47025,47035,47038,47050,47051,47061,47094,47181
+[C:1]-[N:2](-[C:3]-[c:4])-[c:5]>>[C:3](-[c:4])-[Br:6].[C:1]-[N:2]-[c:5]	15	2136,23089,25452,35913,36028,39264,39292,39294,39582,43901,48227,49334,51126,51179,56937
+[C:1](=[O:2])(-[C:3])-[O:4]>>[C:1](-[C:3])#[N:5].[O:2]=[C:7](-[O:4])-[C:6]	15	2205,2213,6095,6300,7225,36391,37936,44111,44119,44143,44146,44147,44158,44159,44162
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[c:6]):[s:7]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[c:6]):[s:7])=[O:8]	15	3127,9620,9699,9910,12696,12886,13013,13211,13652,14501,14502,14578,15156,15585,27263
+[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[N:6]-[c:7]:[c:8]:[n:9]>>[N:6]-[c:7]:[c:8]:[n:9].[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[O:10]	15	3417,10065,11974,16144,16145,20199,20338,20339,22080,23577,34626,37968,39934,48705,52369
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5]:[c:6]:1>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1)-[Cl:7]	15	3425,9541,21711,23036,29345,33354,34365,36997,49199,50176,51270,51709,55251,57208,57321
+[c:1]:[c:2](-[C:3]-[Cl:5]):[n:4]>>[c:1]:[c:2](-[C:3]-[O:9]):[n:4].[Cl:5]-[S:7](=[O:6])-[Cl:8]	15	4034,4179,5804,30017,35561,35576,35598,35651,35656,35657,35677,35713,35721,35842,35843
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:7]-[C:6].[C:1]-[N:2]	15	4216,6151,10457,10970,11068,29978,30199,30205,41832,41858,41913,41921,45146,46935,51038
+[c:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5].[c:1]-[C:2](=[O:3])-[O:6]	15	4642,4643,6008,6009,6010,6012,20051,24984,29360,29361,29363,33256,40304,47139,54957
+[c:1]:[c:2](-[C:3]-[Cl:5]):[n:4]>>[c:1]:[c:2](-[C:3]-[O:8]):[n:4].[Cl:5]-[C:7]-[Cl:6]	15	4693,20617,32499,33581,35060,35061,35074,35085,35086,35090,35095,35098,35106,35108,35133
+[C:1]-[N:2]-[c:3]:1:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1>>[C:1]-[N:2].[c:3]:1(:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1)-[Cl:11]	15	5246,10658,10853,12028,12030,12475,16581,22240,22314,29689,39736,48175,48176,48609,48610
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])(-[C:6])-[O:7]-[c:8]>>[O:7]-[c:8].[O:1]-[C:2](=[O:3])-[C:4](-[C:5])(-[C:6])-[Br:9]	15	5950,11886,17198,17199,17202,17203,17204,17205,17206,17231,17232,18004,18005,18006,18007
+[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]>>[C:1]-[C:2](-[C:3]-[C:4])=[O:11].[c:5](:[c:6](:[c:7])-[N:9]-[N:10]):[c:8]	15	6977,9189,9245,9601,9604,13338,13353,14636,14638,16152,22519,29638,44517,52257,53557
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[n:6]:[n:7]>>[c:1]:[c:2](:[n:6]:[n:7])-[Cl:8].[c:3](:[c:4])(:[c:5])-[B:10](-[O:9])-[O:11]	15	7110,11587,21856,36475,39126,39365,43623,46540,46593,46594,46605,46719,50957,51897,51909
+[C:1]-[N:3](-[C:2])-[C:5](=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]>>[C:1]-[N:3]-[C:2].[O:4]=[C:5](-[C:6](-[F:7])(-[F:8])-[F:9])-[O:14]-[C:13](=[O:12])-[C:15](-[F:10])(-[F:11])-[F:16]	15	7302,7705,8052,9599,9791,12509,15350,19627,28606,28890,29609,37302,37325,37333,37336
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[Br:6].[c:1]-[O:2]	15	7508,7509,11675,11678,11679,11681,11687,16383,26351,26353,26355,26358,26361,26589,29700
+[n:1]:[c:2]:[c:3]:1:[c:4](-[N:5]):[n:6]:[c:7]:[c:8]:[n:9]:1>>[n:1]:[c:2]:[c:3]:1:[c:4](:[n:6]:[c:7]:[c:8]:[n:9]:1)-[Cl:10].[N:5]	15	7616,11579,11594,11602,13148,14060,25704,27980,37078,39863,39986,40932,40951,40952,40962
+[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[N:6]-[c:7](:[n:8]):[c:9])-[C:10]-1=[O:11]>>[N:6]-[c:7](:[n:8]):[c:9].[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[C:10]-1=[O:11])-[Br:12]	15	7742,11110,14118,16168,19585,19601,22150,29763,31330,32536,32537,32538,32539,32540,32541
+[C:1]-[N:2]>>[C:1]-[N:2]-[C:4](-[C:3])=[O:5]	15	9445,9968,12246,13186,45571,46104,49481,49997,51241,53265,53911,54323,54375,55568,57346
+[C:1]-[C:2](-[c:3])-[Cl:4]>>[C:1]-[C:2](-[c:3])-[O:8].[Cl:4]-[S:6](=[O:5])-[Cl:7]	15	9901,9902,12975,16058,17258,27935,32399,35604,35621,35634,35736,35743,35770,35812,35818
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:6](=[O:4])-[C:5]	15	9987,13446,13646,13916,13956,14144,14227,14267,16055,16164,38652,41569,54189,54907,55257
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+[n:1]:[c:2](:[n:3])-[S:5](-[C:4])(=[O:6])=[O:7]>>[n:1]:[c:2](:[n:3])-[S:5]-[C:4].[O:6]=[S:9](-[O:8])-[O:10]-[O:7]	15	10737,11137,14334,16477,22948,27623,34729,47394,47396,47397,47402,47406,47407,47411,47412
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[c:1]-[C:2](=[O:8])-[O:9].[N:3]=[C:4](-[c:5])-[N:6]-[O:7]	15	11852,18322,21443,23701,27297,27299,27384,27385,27415,29739,34591,34592,38720,41493,50878
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]>>[C:5](-[c:6])=[O:7].[O:1]-[C:2](=[O:3])-[C:4]=[P:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:26]:[c:25]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	15	12249,24348,38823,39149,40373,43315,44749,44800,48437,49300,49383,53002,53024,53181,56992
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1)-[C:9](-[F:8])(-[F:10])-[F:11]>>[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1.[C:1](=[O:2])(-[C:9](-[F:8])(-[F:10])-[F:11])-[O:18]-[C:17](-[C:12](-[F:13])(-[F:14])-[F:15])=[O:16]	15	12452,13133,30865,33511,34540,36492,36510,37311,37312,37314,37315,37316,37317,37318,37324
+[Cl:1]-[c:2](:[n:3]:[c:4](:[c:5]):[c:6]):[c:7]>>[c:2](:[n:3]:[c:4](:[c:5]):[c:6])(:[c:7])-[O:12].[Cl:1]-[P:9](=[O:8])(-[Cl:10])-[Cl:11]	15	12626,26881,27644,35198,35257,35258,35259,35284,35333,35336,35361,35396,35399,35401,35402
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[n:7]>>[C:1]-[C:2](=[O:3])-[O:11]-[C:9](-[C:8])=[O:10].[N:4]-[c:5](:[c:6]):[n:7]	15	16890,16895,16900,16913,16914,16937,16939,16942,16945,16958,17015,17021,17073,17098,17109
+[c:1]-[C:2]-[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]>>[c:1]-[C:2]=[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]	15	17818,52319,52807,53168,53222,54086,54088,54089,55101,55268,55281,55550,55997,56389,56395
+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]):[c:6]:1>>[c:1]:1:[c:2]:[n:3](:[c:4](:[c:5]):[c:6]:1)-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	15	21424,21427,21430,21433,21434,21438,21442,21447,21453,21455,24322,24323,24326,24347,24350
+[C:1](-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1)-[O:7]>>[C:1](-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1)(=[O:7])-[O:10]-[C:9]-[C:8]	15	21479,26218,31141,34738,38358,38616,39809,39832,52687,52774,52815,52821,54003,55951,57170
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]):[c:8]>>[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[Br:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	15	22614,38073,46424,46595,46600,46739,50571,51826,51910,53424,53427,53428,53446,54701,54702
+[n:1]:1:[n:2]:[c:3](-[I:4]):[c:5]:[c:6]:1>>[n:1]:1:[n:2]:[c:3]:[c:5]:[c:6]:1.[I:4]-[I:7]	15	25233,25281,32430,36505,40509,40512,40518,40522,40530,40531,40534,40546,40547,40548,40549
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:8](-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:16]:[c:15]:1)-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2	15	52152,52153,52154,52155,52156,52157,52158,56122,56123,56124,56126,56127,56128,56129,56132
+[C:1](-[c:2])-[Br:3]>>[Br:3].[C:1](-[c:2])-[O:4]	14	8,9,10,11,35,36,76,95,109,110,112,116,119,121
+[C:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1>>[C:1]-[C:2]-[Br:8].[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1	14	853,2102,2111,3740,3897,6599,6823,12894,13447,16253,26684,29629,43354,56231
+[C:1]-[O:2]-[c:3]:[c:5]:[n:4]>>[O:2]-[c:3]:[c:5]:[n:4].[C:1]-[I:6]	14	1050,16096,31490,31583,31584,31585,31632,31662,31678,31707,31857,31866,31867,31872
+[c:1]-[C:2]-[Br:3]>>[c:1]-[C:2]-[O:11].[Br:3]-[N:10]-1-[C:5](=[O:4])-[C:6]-[C:7]-[C:8]-1=[O:9]	14	1501,8146,8148,8228,8315,8316,8336,8406,8456,8465,8571,8635,8645,8673
+[O:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[O:1]-[C:2](=[O:3])-[Cl:9].[N:4]-[C:5]-[C:6](=[O:7])-[O:8]	14	1811,1818,2520,7949,26469,26470,26473,26475,27482,29755,30803,41999,46816,52559
+[c:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[c:1]-[C:2]-[Br:6].[N-:3]=[N+:5]=[N-:4]	14	2153,2154,6462,12012,34925,34927,47899,47905,47923,47940,47974,47994,48008,48063
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:2:[c:6]:1:[n:7]:[c:8](-[C:9]):[n:10]:2-[C:11]>>[C:8](-[C:9])(-[Cl:12])=[O:13].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1-[N:7])-[N:10]-[C:11]	14	2310,2334,4566,4567,4569,10147,20512,22486,23291,26031,27277,29319,43331,43332
+[c:1]-[O:2]-[C:3]-[c:4](:[c:5]:[o:6]):[n:7]>>[c:1]-[O:2].[C:3](-[c:4](:[c:5]:[o:6]):[n:7])-[Cl:8]	14	2812,34371,36329,38578,39328,39433,39434,40201,48944,49320,49668,51177,51178,51838
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[c:1]-[C:2](=[O:3])-[Cl:8]	14	2884,12441,38174,39709,39710,42785,42791,50810,50818,50948,53598,53605,54377,56048
+[c:1]:1:[n:2]:[c:3](-[N:4](-[C:5])-[C:6]):[n:7]:[c:8](:[c:9]):[c:10]:1>>[N:4](-[C:5])-[C:6].[c:1]:1:[n:2]:[c:3](:[n:7]:[c:8](:[c:9]):[c:10]:1)-[Cl:11]	14	3088,7249,7250,7665,12743,13721,14350,15012,15038,15051,24280,25055,32644,43865
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[c:7]:[n:8]:1>>[c:1]:1:[c:2](:[c:6]:[c:7]:[n:8]:1)-[Br:9].[c:3](:[c:4])(:[c:5])-[B:11](-[O:10])-[O:12]	14	3218,10407,10694,26626,28578,39211,39481,46187,46623,46624,46644,48924,49989,50014
+[c:1](-[O:2]-[c:3](:[c:4]):[c:5]):[c:6]:[n:7]>>[c:1](-[O:2]):[c:6]:[n:7].[c:3](:[c:4])(:[c:5])-[F:8]	14	3428,11295,11427,17826,24270,27306,35889,37777,39568,40319,42460,43335,48089,48832
+[C:1](-[C:2])-[Br:3]>>[Br:3]-[N:10]-1-[C:5](=[O:4])-[C:6]-[C:7]-[C:8]-1=[O:9].[C:1](-[C:2])-[O:11]	14	3557,6327,8068,8089,8128,8132,8133,8201,8204,8551,8620,8627,8630,8723
+[C:1]-[C:2]-1-[O:3]-[C:4]-1>>[C:1]-[C:2]=[C:4].[O:3]-[O:7]-[C:6](=[O:5])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12](-[Cl:13]):[c:14]:1	14	4131,5419,15318,17242,36574,36579,36624,36635,36651,36657,36665,36685,36689,36690
+[C:1]-[N:2]-[c:3](:[n:4]:[c:5](:[c:6]):[c:7]):[c:8]>>[c:3](:[n:4]:[c:5](:[c:6]):[c:7])(:[c:8])-[Cl:9].[C:1]-[N:2]	14	4500,4990,4991,8985,15899,23570,33451,41780,45692,48233,50111,51150,51294,51295
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[O:2].[C:3](-[c:4])-[Cl:5]	14	4602,4635,5225,11958,18801,22120,26707,29745,30467,33533,33562,33947,46937,54319
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2].[c:3](:[c:4])(:[c:5])-[Cl:6]	14	4613,10744,11783,11789,13276,23406,23410,27161,32743,32746,32885,33017,34381,37613
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:7]-[C:8]>>[C:7](-[C:8])-[I:9].[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	14	4875,9921,12545,17679,29943,30033,30047,30053,30063,30082,30095,30098,30117,30119
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[C:4](-[C:5])-[Cl:6].[N-:1]=[N+:2]=[N-:3]	14	5211,5965,6721,24935,44555,45639,47896,47936,47943,47990,47991,48002,48016,48052
+[C:1]-[C:2]-[F:3]>>[C:1]-[C:2]-[O:12].[F:3]-[S:9](-[N:6](-[C:5]-[C:4])-[C:7]-[C:8])(-[F:10])-[F:11]	14	6770,6772,18974,37812,38557,39459,40232,40233,40235,40237,40238,40241,40243,40244
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[c:3](:[c:4])(:[c:5])-[I:7].[C:1]-[N:2]-[C:6]	14	6926,6931,7865,11603,12727,13706,15127,15753,16215,20322,31974,39465,41679,43861
+[N:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[O:7]-[C:6].[N:1]-[N:2]	14	7048,11464,13379,14002,15955,19856,27944,34501,37375,42144,42194,42198,42270,42280
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[Br:4]	14	7208,7848,9447,23694,28790,39578,44286,48757,49593,50734,51125,54464,55425,56617
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[C:3](=[C:4]-[C:5])(-[C:6])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	14	7376,10119,10315,15392,28283,28289,28290,28916,28918,28919,28922,28930,28931,28934
+[c:1]-[C:2](-[C:3])-[C:4]>>[c:1]-[C:2](-[C:3])(-[C:4])-[O:5]	14	7523,7996,10709,11656,11899,26074,26123,26161,29706,38920,43596,52507,53464,55136
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]:[c:7]:[n:6]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5]:[c:7]:[n:6])=[O:8]	14	9407,9644,9721,14803,14879,14880,15542,15567,15625,15755,18571,29587,30284,49694
+[C:1]-[N:2](-[C:3]-[c:4](:[n:5]):[n:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](-[c:4](:[n:5]):[n:6])=[O:8]	14	9717,11516,13891,14496,14574,15964,15965,18519,29995,32457,37091,53314,54327,56549
+[n:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]):[c:10]>>[n:1]:[c:2](-[C:3]=[O:11]):[c:10].[N:4]-[c:5](:[c:6](:[c:7])-[N:9]):[c:8]	14	12016,12035,12036,12037,14022,25004,29439,29489,30860,33994,34426,42634,48965,50647
+[c:1]:1:[c:2]:[n:3](-[c:4](:[c:5]):[c:6]):[n:7]:[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1.[c:4](:[c:5])(:[c:6])-[I:9]	14	12809,12902,13046,15802,19234,30877,31173,31174,34418,38359,38643,48182,48185,48931
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[Cl:6]):[c:7]:1>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:7]:1)-[O:11].[Cl:6]-[S:9](=[O:8])-[Cl:10]	14	12819,13240,13488,14080,14160,35540,35557,35602,35637,35638,35641,35660,35726,35811
+[S:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[S:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	14	14166,15960,25649,37018,45357,45564,45601,45611,45663,49785,53915,55419,56270,56271
+[C:1](-[C:2])=[O:3]>>[C:1](-[C:2])(-[O:3]-[C:4])-[O:6]-[C:5]	14	14599,19359,25312,33226,33228,33229,33231,43137,43138,43141,43148,54811,55360,56266
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2]-[O:8]-[S:5](-[C:4])(=[O:6])=[O:7].[I:3]	14	16394,19994,20355,22262,24816,37456,37458,38077,40415,40416,40419,40421,40439,40472
+[c:1]:1:[c:2](-[Cl:3]):[c:4]:[c:5]:[n:6]:1>>[c:1]:1:[c:2]:[c:4]:[c:5]:[n:6]:1.[Cl:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	14	17911,19937,23142,25231,27388,37223,43031,44332,44333,44364,44365,44380,44382,44386
+[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n+:7]:[c:8]:1-[N:9]):[n:10]>>[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n+:7]:[c:8]:1):[n:10].[N:9]	14	18496,19242,20427,23859,23862,23877,23936,25981,26047,26065,40794,40834,40897,40964
+[c:1]:[c:2]:1:[c:3](-[N:4]):[n:5]:[n:6]:[c:7]:1:[c:8]>>[c:1]:[c:2](-[C:3]#[N:4]):[c:7](:[c:8])-[F:9].[N:5]-[N:6]	14	20775,24179,29538,33536,34424,36787,42190,42191,42207,42213,42214,42215,42279,42300
+[C:1](-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1)=[O:7]>>[C:1](-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1)-[O:7]	14	21464,26072,34300,38361,39808,39831,52773,52817,52822,54000,55950,55967,57098,57168
+[c:1](:[n:2]:[c:3](-[C:4]#[N:5]):[c:6]):[c:7]>>[c:1](:[n:2]:[c:3](:[c:6])-[Cl:8]):[c:7].[C:4]#[N:5]	14	22244,25728,32524,33998,36235,37466,37698,39826,39835,41018,41057,41059,41086,41110
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+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7](-[C:8]-[C:9])-[O:10]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1.[C:7](=[C:8]-[C:9])-[O:10]	14	25271,33386,37041,43735,43741,43743,43746,43747,43751,43754,43755,43757,43768,43772
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+[c:1](:[c:2](:[c:3])-[I:5]):[n:4]>>[c:1](:[c:2]:[c:3]):[n:4].[I:5]-[N:9]-1-[C:7](-[C:6]-[C:12]-[C:11]-1=[O:10])=[O:8]	14	34336,36929,37488,41372,42744,42819,42827,42833,44402,44407,44415,44418,44432,44439
+[C:1]-[N:2](-[C:3]-[C:4](=[O:5])-[O:6])-[C:7](=[O:8])-[C:9]>>[C:3](-[C:4](=[O:5])-[O:6])-[Br:10].[C:1]-[N:2]-[C:7](=[O:8])-[C:9]	13	655,658,12329,18133,30635,30682,30698,30699,30705,30708,30709,30719,30720
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[B:3](-[O:4])(-[O:5])-[O:11]-[C:9](-[C:8])-[C:10]	13	1059,10948,24453,24695,25190,27185,27187,27201,27205,28302,28303,28304,28305
+[c:1]:[c:2](-[C:3](=[O:4])-[C:5]):[c:6]>>[C:3](=[O:4])(-[C:5])-[N:10](-[O:9]-[C:8])-[C:11].[c:1]:[c:2](:[c:6])-[Br:7]	13	1728,2453,4933,4934,4935,22820,22821,22822,23313,25095,25131,33466,37996
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+[C:1]-[C:2](-[C:3])=[O:4]>>[C:1]-[C:2](=[O:4])-[N:9](-[O:8]-[C:7])-[C:10].[C:3]-[Mg:6]-[Br:5]	13	2455,9201,9849,18668,22129,39543,47557,47563,47565,47577,47578,47579,47588
+[C:1](-[C:2](=[O:3])-[O:9])-[N:4]-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:1](-[C:2](=[O:3])-[O:9])-[N:4].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:10]	13	2519,2521,4946,18044,18048,21532,23840,26471,44059,44070,44173,45458,51349
+[c:1]-[S:2](-[C:3])(=[O:4])=[O:5]>>[c:1]-[S:2]-[C:3].[O:4]=[S:7](-[O:6])-[O:8]-[O:5]	13	2829,6603,15514,24339,47388,47389,47390,47392,47395,47400,47405,47409,47410
+[c:1]:[c:2](-[Cl:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:5].[Cl:3]	13	2838,9813,27605,34765,34766,34769,34771,34776,34777,34781,34789,34791,34795
+[c:1]:[c:2](-[C:3](=[O:4])-[O:6]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:7].[C:3](=[O:4])=[O:6]	13	2931,16002,27758,43804,44560,44561,44564,44566,44567,44568,44570,44571,44573
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[n:6]):[c:7])-[Br:8]	13	3116,6927,9623,10198,12741,13773,14575,14576,14961,19662,25390,32563,32671
+[c:1]:1:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]:[n:8]:[n:9]:1>>[c:1]:1:[c:2](-[C:3](=[O:4])-[O:10]):[c:7]:[n:8]:[n:9]:1.[N:5]-[C:6]	13	3233,7923,7926,7929,7960,15436,15446,23375,23376,37416,37428,37429,40155
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+[n:1]:[n:2]:[c:5](-[N:4]-[N:3]):[c:6]>>[n:1]:[n:2]:[c:5](:[c:6])-[Cl:7].[N:3]-[N:4]	13	3527,7564,12983,25318,34098,34215,40106,42226,42273,42285,42303,42315,42318
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2]-[O:6].[N-:3]=[N+:5]=[N-:4]	13	3661,5021,5329,18743,19932,23412,33552,46993,47908,47952,47972,48038,48039
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+[c:1]:[c:2](-[C:3]-[S:4]-[c:5]:1:[n:6]:[c:7](:[c:8](:[c:9]):[n:11]:1):[c:10]):[n:12]>>[c:1]:[c:2](-[C:3]-[Cl:13]):[n:12].[S:4]=[C:5]-1-[N:6]-[c:7](:[c:8](:[c:9])-[N:11]-1):[c:10]	13	4037,4178,4670,4692,5803,10965,14043,29463,41699,41700,41703,41704,41706
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[c:10]>>[C:1]-[N:2]-[c:10].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:18]-[C:16](-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14])=[O:17]	13	4193,9128,13324,16078,20919,20924,20976,21053,21096,21102,21194,21288,21296
+[C:1]-[O:2]-[C:3](-[c:4])(-[c:5])-[c:6]>>[C:1]-[O:2].[C:3](-[c:4])(-[c:5])(-[c:6])-[Cl:7]	13	4249,5277,5546,6082,6851,9339,46851,47385,50484,51011,51387,52089,52090
+[C:1]-[N:2]-[C:4](=[O:3])-[C:5](-[F:6])(-[F:7])-[F:8]>>[C:1]-[N:2].[O:3]=[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])-[O:11]-[C:10]-[C:9]	13	4507,4966,16156,18616,22375,23910,25901,36465,37345,37347,37348,37352,37356
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:5].[O:3]=[N:7]-[O:6]	13	4654,15522,25657,26117,40348,42473,42517,42607,42630,42669,42672,42707,47238
+[c:1]:[c:2](-[S:3]-[C:4]):[c:5]>>[S:3]-[C:4].[c:1]:[c:2](:[c:5])-[Br:6]	13	5331,5334,9519,10301,23061,43513,48626,49113,50328,50334,51074,51123,52280
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+[N:1]-[C:2](-[C:3])=[N:4]-[O:5]>>[N:1]#[C:2]-[C:3].[N:4]-[O:5]	13	6200,9870,19920,21798,22138,22535,22591,23300,41314,45329,47135,47150,47172
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+[O:1]-[C:2]-[c:3]>>[O:1]=[C:2](-[c:3])-[O:4]	13	6403,36114,37049,38019,38903,40202,44188,50373,51735,51812,53048,53626,54821
+[C:1](=[O:2])-[C:3]-[N:4]-[C:5](=[O:6])-[C:7]>>[C:1](=[O:2])-[C:3]-[N:4].[C:5](=[O:6])(-[C:7])-[O:8]	13	6660,9209,18367,20044,21988,22056,26484,26790,27919,36144,42107,45966,53457
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:3](=[O:4])(-[O:5])-[O:14]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[C:1]-[N:2]-[C:6]	13	6762,6763,9205,12892,13827,14843,15785,16360,22813,23398,38442,44447,51277
+[C:1](-[c:2](:[c:3]:[n:4]):[n:5])=[O:6]>>[C:1](-[c:2](:[c:3]:[n:4]):[n:5])-[O:6]	13	7123,9279,14284,15947,15983,28603,32520,34625,35855,39303,47000,53376,54626
+[N-:1]=[N+:2]=[N:3]-[c:4]>>[N:3]-[c:4].[N-:1]=[N+:2]=[N-:5]	13	7150,20736,20738,36776,39621,42587,47906,47909,47917,47926,47955,48001,48062
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[n:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5](:[n:6]):[n:7])-[O:8]	13	7428,14225,15380,27694,28729,28732,28734,28735,28762,31315,33966,33967,33968
+[c:1]:1:[n:2]:[c:3]:[c:4](:[s:5]:1)-[Br:6]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[s:5]:1.[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	13	7506,8072,8073,8112,8127,8156,8199,8240,8303,8424,8431,8680,8776
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](=[O:6])-[N:7]-1>>[c:1]-[C:2]#[N:7].[N:3]-[O:4].[C:5](=[O:6])(-[O:8])-[O:9]	13	7608,9242,9438,11384,15347,17471,17474,28852,46866,46867,46868,46870,46872
+[c:1](-[C:2]-[N:3](-[C:4])-[C:5]):[c:6]:[n:7]>>[N:3](-[C:4])-[C:5].[c:1](-[C:2]-[Br:8]):[c:6]:[n:7]	13	7791,8934,8935,9709,13213,15705,17804,19692,19695,19699,19726,32579,32615
+[c:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]>>[c:1]-[N:2]-[C:4](=[O:5])-[N:6].[C:3]-[I:7]	13	9351,12828,31440,31450,31483,31484,31508,31509,31510,31511,31533,31555,31740
+[c:1]-[N:2]-[C:3]>>[c:1]-[N:2](-[C:3])-[C:5](-[C:4])=[O:6]	13	9919,14220,14275,15439,15941,16048,18380,25702,44548,45353,46136,52955,56156
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[c:1]-[C:2]=[O:9].[N:3]-[c:4](:[c:5](:[c:6])-[N:8]):[c:7]	13	9920,17246,28577,38606,39706,42452,42632,42727,44634,44816,50431,54115,54119
+[c:1]:[c:3](:[c:2])-[N:4]>>[c:1]:[c:3](:[c:2])-[F:5].[N:4]	13	12208,12501,18002,37719,38381,40216,40663,40669,40709,40741,40746,40747,40763
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[c:1]-[O:2].[C:3](-[C:4])(-[C:5])-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9]	13	14457,15503,18734,19206,22770,22771,25386,27032,27284,27405,45189,45855,57291
+[c:1]:[c:4](:[c:3]:[n:2])-[I:5]>>[c:1]:[c:4]:[c:3]:[n:2].[I:5]-[I:6]	13	14515,17416,27735,36022,39948,40496,40502,40526,40540,40542,40545,40579,40580
+[c:1]-[O:2]-[C:3]-[C:4]-[O:5]>>[C:3]-1-[C:4]-[O:5]-1.[c:1]-[O:2]	13	16003,17583,18576,22982,28800,28803,28805,43634,43635,43656,43664,43678,43680
+[S:1]-[N:2]>>[S:1]-[N:2]-[C:4](-[C:3])(-[C:5])-[C:6]	13	17854,17855,17856,17857,17858,17859,17863,17865,17878,17879,17880,17881,17887
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[C:7](-[C:6])(-[C:8])-[C:9]	13	18083,18095,18099,18100,18101,18102,18103,18104,21605,21607,21608,21610,21612
+[c:1]:[c:2](-[C:3]-[O:4]):[n:5]>>[c:1]:[c:2](-[C:3](-[O:4])=[O:6]):[n:5]	13	25280,26836,27573,38722,39272,42029,48975,49286,49616,50259,50380,51238,54299
+[c:1]-[N:2]>>[c:1]-[N:2]-[C:7](=[O:6])-[C:8](-[F:3])(-[F:4])-[F:5]	13	25406,37282,37285,37289,37291,37294,37295,37297,37554,37564,37566,37567,37569
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[n:7]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N:7].[C:6](=[O:8])-[O:9]	13	26515,33631,34544,34747,35969,36086,42444,42445,42448,42633,46004,46899,46904
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1]:[c:2](:[c:3])-[Cl:16].[O:4]-[B:5](-[O:6])-[B:11]-1-[O:10]-[C:8](-[C:7])(-[C:9])-[C:13](-[O:12]-1)(-[C:14])-[C:15]	13	27346,27994,28005,28019,28022,28082,28097,28239,28240,28267,28268,28276,28277
+[C:1](-[C:2]-[C:3](-[C:4](=[O:5])-[O:6])=[O:7])=[O:8]>>[C:1](-[C:2])=[O:8].[C:3](-[C:4](=[O:5])-[O:6])(=[O:7])-[O:9]-[C:11]-[C:10]	13	27387,30890,30905,30906,30907,30908,30910,30913,30915,30917,30919,30920,30921
+[c:1]:[c:2](-[C:3](-[O:4])=[O:6]):[c:5]>>[c:1]:[c:2]:[c:5].[C:3](=[O:4])=[O:6]	13	27390,34207,34549,36145,37847,38074,40268,40271,40282,40317,44562,44572,44575
+[c:1]:1(:[c:2]:[n:3]:[n:4]:[c:5]:1)-[Br:6]>>[Br:6]-[Br:7].[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1	12	158,189,252,262,312,332,365,378,383,432,460,465
+[c:1]-[S:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:5].[c:1]-[S:2]	12	738,817,1790,3738,4111,4857,5184,5676,5777,11990,23374,46314
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7]>>[C:1]-[C:2]-[Br:9].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7]	12	787,815,2086,3702,3899,3900,4824,6065,6066,30922,43475,46391
+[O:1]=[C:2](-[C:3])-[N:5](-[C:4])-[C:6]-[C:7]>>[C:6](-[C:7])-[Br:8].[O:1]=[C:2](-[C:3])-[N:5]-[C:4]	12	819,837,838,1549,8976,10773,13075,18930,24688,24689,24704,43658
+[C:1]-[S:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:5].[C:1]-[S:2]	12	904,2148,6332,16821,17219,27029,30995,32409,33366,36147,39906,52105
+[c:1](:[n:2]:[c:3](-[O:4]-[C:5]):[c:6]):[c:7]>>[c:1](:[n:2]:[c:3](:[c:6])-[Br:8]):[c:7].[O:4]-[C:5]	12	1120,1124,1223,4242,10022,19176,25898,33069,33089,33145,33158,45303
+[C:1]-[N:2](-[C:3])-[c:4]:1:[n:5]:[c:6]:[c:7]:[s:8]:1>>[c:4]:1(:[n:5]:[c:6]:[c:7]:[s:8]:1)-[Br:9].[C:1]-[N:2]-[C:3]	12	1230,13748,13811,15021,15032,15059,19672,20353,22815,31179,38599,48122
+[C:1]-[n:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[n:7]:1>>[C:1]-[N:2]=[N+:7]=[N-:6].[C:3]#[C:4]-[C:5]	12	1384,2175,7965,8981,21465,21466,23583,23704,29704,37572,45607,46082
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[c:6].[C:5]-[I:7]	12	1716,5934,6600,21782,31354,31361,31393,31607,31670,31768,31781,31830
+[O:1]-[C:2](=[O:3])-[O:4]-[c:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[O:4]-[c:5]	12	1795,1800,1801,1817,1819,1820,1846,1848,3573,25149,30787,30816
+[N:1]-[C:2](=[O:3])-[C:4]>>[N:1]#[C:2]-[C:4].[O:3]	12	2202,6593,8881,26121,34033,37883,42889,42949,42966,42969,42978,42995
+[c:1]-1:[c:2]-[O:3]-[C:4]-[C:5](=[O:6])-[N:7]-1>>[C:4](-[C:5](=[O:6])-[Cl:8])-[Cl:9].[c:1](:[c:2]-[O:3])-[N:7]	12	2336,2365,2371,2374,2375,2376,2390,2393,2395,2401,2402,2447
+[C:1](-[C:2])-[O:3]>>[C:1](-[C:2])(=[O:3])-[O:4]	12	2468,9234,11884,12573,18826,25868,37822,49750,52353,54512,55777,57083
+[N:1]-[C:2](=[O:3])-[C:4]-[O:5]-[c:6]>>[O:5]-[c:6].[N:1]-[C:2](=[O:3])-[C:4]-[Cl:7]	12	2540,3020,4799,4803,10569,21481,33957,36244,36392,38821,45943,55065
+[C:1]-[O:2]-[C:3]-[C:4]>>[C:1]-[O:2].[C:3](-[C:4])-[Cl:5]	12	2565,4347,4962,5190,5967,6936,8998,12936,28698,28787,33195,46988
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[c:1]-[C:2](=[O:3])-[O:8].[N:4]-[c:5](:[n:6]):[c:7]	12	2814,13259,14040,14093,37211,42636,44295,45292,52707,52708,53630,53633
+[C:1]=[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]=[C:2]-[Sn:7](-[C:8]-[C:9]-[C:10]-[C:11])(-[C:12]-[C:13]-[C:14]-[C:15])-[C:16]-[C:17]-[C:18]-[C:19].[c:3](:[c:4])(:[c:5])-[Br:6]	12	2968,2969,2970,2972,2976,2979,2985,2988,2990,2991,2995,2996
+[c:1](:[n:2]):[c:3]-[C:4](-[C:5])-[O:6]>>[c:1](:[n:2]):[c:3]-[C:4](-[C:5])=[O:6]	12	3074,33344,33983,35895,39600,49882,50273,51644,52024,52669,54387,54629
+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:1)-[Br:6]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1	12	3350,5614,8084,8097,8126,8136,8214,8243,8244,8611,8692,8699
+[C:1]-[C:2](=[O:3])-[N:4](-[c:5](:[c:6]):[c:7])-[C:8]>>[C:1]-[C:2](=[O:3])-[N:4]-[C:8].[c:5](:[c:6])(:[c:7])-[Br:9]	12	3514,10966,13066,13072,13076,13079,16161,19398,43477,44458,49413,51914
+[C:1]-[O:2]-[Si:3](-[C:4])(-[C:5])-[C:6]>>[Si:3](-[C:4])(-[C:5])(-[C:6])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:7])(-[F:8])-[F:9].[C:1]-[O:2]	12	3518,10462,14129,17422,26066,26071,27541,27542,38258,38259,38260,38261
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]>>[C:1]-[C:2]-[Br:9].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]	12	3708,5581,5774,8974,8979,8980,13264,24910,26561,30570,37464,52230
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2].[C:3](-[c:4])-[O:5]	12	3868,5609,5611,5932,11378,22787,39492,45594,48390,50287,50289,54239
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:9]-[C:8]	12	4383,4385,4386,4387,4388,15448,17250,30984,32698,41842,45553,47419
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5](-[F:6])(-[F:7])-[F:8]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5](-[F:6])(-[F:7])-[F:8])-[O:11]-[C:10](=[O:9])-[C:12](-[F:13])(-[F:14])-[F:15]	12	4484,8006,22092,22300,33557,37313,37323,37329,37330,37331,37338,37340
+[n:1]:[c:2]:[c:3]-[N:4]-[C:5](-[c:6])=[O:7]>>[C:5](-[c:6])(=[O:7])-[Cl:8].[n:1]:[c:2]:[c:3]-[N:4]	12	4779,6639,10060,10106,12796,19294,23796,36785,38978,45362,51756,53602
+[C:1]-[C:2](-[C:3]#[N:4])(-[C:5])-[N:6]>>[C:1]-[C:2](-[C:5])=[O:7].[C:3]#[N:4].[N:6]	12	4918,8847,10168,13361,34465,34466,39755,40638,40645,40646,40647,40648
+[c:1]:[c:2](-[Cl:3]):[c:4]>>[c:1]:[c:2]:[c:4].[Cl:3]-[S:6](=[O:5])(=[O:7])-[Cl:8]	12	5086,5936,9121,10369,24072,25474,27596,29417,40062,44781,45436,45440
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]-[C:11](=[O:12])-[O:13]>>[N:8](-[C:9])-[C:10]-[C:11](=[O:12])-[O:13].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:21]-[C:19](-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])=[O:20]	12	5423,5437,5467,7364,11179,15281,16189,20938,20940,21187,21274,21314
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Cl:7].[N:6]	12	5943,7558,25516,25700,35923,36961,40654,40745,40782,40859,40874,40931
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:4]-[C:3]	12	5955,18400,23085,25968,26099,30957,35973,36339,39355,43488,50109,52877
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[O:6]-[C:5].[N:3]	12	6150,32505,40725,40726,40755,40771,40792,40841,40868,40878,40968,41002
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Cl:7].[c:3](:[c:4])(:[c:5])-[B:9](-[O:8])-[O:10]	12	6426,35900,35908,35916,36152,36316,36503,38455,46578,49603,51032,53415
+[c:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[C:7]-1=[O:8]>>[c:1]-[N:2].[C:3]-1(=[O:4])-[c:5]:[c:6]-[C:7](=[O:8])-[O:9]-1	12	6552,14279,25218,27225,31247,36096,42608,44530,44533,44534,44537,49959
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2].[c:3](:[c:4])(:[c:5])-[I:6]	12	6556,6557,9828,16153,26823,27852,33172,51513,53401,54691,55688,55691
+[O:1]-[N:2]>>[O:1]-[N:2]-1-[C:5](-[c:4]:2:[c:3]:[c:12]:[c:11]:[c:10]:[c:9]:2-[C:8]-1=[O:7])=[O:6]	12	7245,19836,20550,21896,24376,24853,24985,38091,39678,39843,50096,55767
+[c:1](:[n:2]):[c:3]-[C:4](-[C:5]-[C:6])-[C:7]>>[c:1](:[n:2]):[c:3]-[C:4](=[C:5]-[C:6])-[C:7]	12	7386,18912,18914,18921,22416,37932,37971,49947,51117,51325,51786,55843
+[C:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[C:7]-1=[O:8]>>[C:1]-[N:2].[C:3]-1(=[O:4])-[c:5]:[c:6]-[C:7](=[O:8])-[O:9]-1	12	7764,25838,25997,28670,42003,42092,44531,44532,44538,44540,44541,44542
+[N:1](-[c:2](:[c:3]):[c:4])-[C:26](-[O:25]-[C:22](-[C:21])(-[C:23])-[C:24])=[O:27]>>[c:2](:[c:3])(:[c:4])-[C:26](=[O:27])-[O:28].[C:21]-[C:22](-[C:23])(-[C:24])-[O:25].[N:1](=[N+:6]=[N-:5])-[P:7](=[O:8])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2	12	8009,17933,17943,17944,17954,17957,17959,17962,17975,17976,17979,17983
+[O:1]=[C:2]-[c:3]>>[C:2](-[c:3])=[C:4].[O:1]=[Os:6](=[O:5])(=[O:7])=[O:8]	12	8938,16811,29862,33447,36331,38063,45168,46259,46328,46334,46335,46339
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N:2].[C:3](=[O:4])(-[O:11]-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16]	12	10441,10702,10992,10993,11014,14406,19060,19329,22225,30134,30987,34884
+[O:1]=[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2]-[C:3]-[Br:7]	12	11181,12732,15119,15149,15663,15717,19708,45181,49614,50490,50491,53333
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2]-[O:13]-[S:10](-[c:9]:1:[c:8]:[c:7]:[c:6](-[C:5]):[c:15]:[c:14]:1)(=[O:11])=[O:12].[C:3]#[N:4]	12	11477,18875,18886,20022,35026,41133,41134,41151,41152,41153,41154,41168
+[n:1]:1:[c:2]:[c:3](-[C:4]-[N:5](-[C:6])-[C:7]):[c:8]:[n:9]:1>>[N:5](-[C:6])-[C:7].[n:1]:1:[c:2]:[c:3](-[C:4]=[O:10]):[c:8]:[n:9]:1	12	11529,11530,11531,11532,11533,14774,18419,23907,30848,32576,39185,44826
+[N:1]-[C:5](-[C:2]-[N:4]-[C:3])=[O:6]>>[N:1]-[C:5](-[C:2]-[N:4](-[C:3])-[C:8](=[O:7])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)=[O:6]	12	12787,13610,19124,22887,23397,25481,52249,54946,56424,56426,56479,56506
+[c:1]-[O:2]-[c:3]:1:[c:4](:[s:5]):[c:6]:[n:7]:[c:8]:[c:9]:1>>[c:3]:1(:[c:4](:[s:5]):[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:10].[c:1]-[O:2]	12	13045,18523,27881,36880,36881,40615,48251,48876,48877,48878,48879,55021
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[c:1]-[O:2].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:7]	12	13639,13640,27053,39677,45456,45460,45473,45497,45502,46138,50699,55407
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:6](=[O:5])-[c:7]:1:[c:4]:[c:3]:[c:10]:[c:9]:[c:8]:1	12	15269,17824,22279,34079,39672,52044,52045,52046,52047,56006,56007,56008
+[n:1]:[c:2]:[c:3](-[C:4]#[C:5]-[Si:8](-[C:7])(-[C:9])-[C:10]):[c:6]>>[n:1]:[c:2]:[c:3](:[c:6])-[Br:11].[C:4]#[C:5]-[Si:8](-[C:7])(-[C:9])-[C:10]	12	16374,16378,33658,33659,33660,33667,33670,33671,33685,33689,33713,33721
+[C:1]-[C:2](-[C:3])-[O:4]>>[C:1]-[C:2]=[O:4].[C:3]-[Mg:6]-[Br:5]	12	16498,19999,20479,25825,26681,37800,39161,46056,47570,47575,47583,47586
+[c:1]-[N:2]>>[c:1]-[N:2]-[C:5](=[O:6])-[C:8](-[C:3])(-[C:4])-[C:7]	12	17376,17381,17382,17393,17531,17532,17537,17538,17544,17547,17551,38518
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5](-[O:4]-[C:3]):[c:11]:[c:10]:1	12	17817,20690,39591,39779,53658,54428,54430,54435,55172,55173,55178,55179
+[n:1]:[c:2]:[c:3](-[C:4]=[O:5]):[c:6]>>[n:1]:[c:2]:[c:3](:[c:6])-[Br:7].[C:4](=[O:5])-[N:9](-[C:8])-[C:10]	12	18527,32064,32065,32094,32111,32118,32128,32148,32173,32199,32228,32232
+[n:1]:[c:2](-[C:3]=[N:4]-[O:5]):[c:6]>>[n:1]:[c:2](-[C:3]=[O:7]):[c:6].[N:4]-[O:5]	12	18867,21934,25787,25805,26893,36956,40277,44831,47023,47052,47130,47162
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	12	19873,19886,19996,20034,20404,23212,23219,23234,23391,23449,23497,56116
+[c:1]-[C:2](=[N:3]-[c:4])-[C:8]-[C:6](-[N:5])=[O:7]>>[c:1]-[C:2](-[C:8]-[C:6](-[N:5])=[O:7])=[O:16].[N:3](-[c:4])-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]	12	20661,20663,20677,20720,20729,20801,24135,24149,38524,38530,38880,39187
+[c:1]:[c:2](:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]):[c:9]>>[c:1]:[c:2](:[n:3]:[c:4](:[c:8])-[Cl:10]):[c:9].[c:5](:[c:6])(:[c:7])-[B:12](-[O:11])-[O:13]	12	20876,26880,39738,44624,44748,44756,44757,46439,46444,46466,46496,54699
+[S:1]-[N:2](-[C:3])-[C:4]-[c:5]>>[S:1]-[N:2]-[C:3].[C:4](-[c:5])-[Br:6]	12	21406,26804,39443,43424,43426,45671,45674,46117,46118,46119,46289,54157
+[S:1]-[N:2](-[C:3])-[C:4]>>[C:3]-[I:5].[S:1]-[N:2]-[C:4]	12	21439,21585,21635,23752,31433,31529,31530,31531,31534,31546,31554,31739
+[c:1]:[c:2](-[I:3]):[c:4]>>[c:1]:[c:2]:[c:4].[I:3]-[Cl:5]	12	25366,27331,27720,35158,35159,35161,35162,35163,35164,35166,35168,35169
+[C:1]-[N:2]>>[C:1](-[N:2])=[O:3]	12	26157,26995,32282,33993,39071,49973,50835,51187,51565,52757,56133,56905
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1):[c:9]>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1)-[Cl:13].[c:1]:[c:2](:[c:9])-[B:11](-[O:10])-[O:12]	12	27001,27054,38496,45682,46525,46548,46610,49009,49333,50281,53417,53519
+[c:1]:1:[c:2](-[Cl:3]):[c:4]:[n:5]:[n:6]:1>>[c:1]:1:[c:2]:[c:4]:[n:5]:[n:6]:1.[Cl:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	12	27834,28532,30870,31344,36159,39070,39753,44341,44361,44368,44373,44383
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:6](:[n:5]):[n:7]:[c:8]:[c:9]:1>>[c:3]:1(:[c:4]:[c:6](:[n:5]):[n:7]:[c:8]:[c:9]:1)-[Cl:10].[c:1]-[N:2]	12	33975,35951,36878,36879,36883,36884,36885,36886,36887,36888,36889,41381
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[c:7](:[c:8]):[c:9]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[Cl:10].[c:7](:[c:8])(:[c:9])-[B:12](-[O:11])-[O:13]	12	35867,36867,36894,38653,41393,46422,46451,46499,49969,49999,51361,51844
+[n:1]:[c:2](-[O:3]):[c:4]>>[n:1]:[c:2](-[O:3]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1):[c:4]	12	38123,51843,52693,52694,52766,52767,52769,52770,52771,55001,56646,56874
+[O:1]-[C:2]>>[O:1](-[C:2])-[Si:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[C:19](-[C:3])(-[C:4])-[C:18]	12	53056,53060,53061,53062,53063,53067,53069,53072,53077,53081,53083,57026
+[C:1](-[C:2]-[O:3]-[c:4])=[O:5]>>[C:1](-[C:2]-[Br:6])=[O:5].[O:3]-[c:4]	11	713,726,3695,27360,33518,43592,48248,50438,51501,51990,54595
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[P:5](-[Br:4])-[Br:6].[C:1]-[C:2]-[O:7]	11	944,950,967,974,981,986,993,995,1003,1004,1014
+[c:1]:[c:2](-[C:3](-[c:4])-[O:6]):[c:5]>>[c:1]:[c:2](:[c:5])-[Mg:8]-[Br:7].[C:3](-[c:4])=[O:6]	11	1026,29399,44696,44697,44707,44813,48472,50993,54424,54553,55491
+[c:1]:[c:2](-[C:3](-[c:4])=[O:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Mg:8]-[Br:7].[C:3](-[c:4])(=[O:5])-[N:11](-[O:10]-[C:9])-[C:12]	11	1029,1031,20800,20828,35887,38461,42694,48312,49015,49016,51273
+[c:1]-[O:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:7].[c:1]-[O:2]	11	1144,5731,7035,7541,24088,34520,37066,42371,42375,51624,55638
+[C:1]-[N:3]-[C:2]=[O:4]>>[C:1]-[N:3].[C:2](=[O:4])-[O:5]	11	1180,6388,17494,26476,34236,46912,46917,46919,46920,46922,46923
+[C:1]-[C:2](-[N:3]-[N:4]-[C:5]=[O:6])=[O:7]>>[C:1]-[C:2](=[O:7])-[O:8].[N:3]-[N:4]-[C:5]=[O:6]	11	1524,3915,6480,10397,16809,20643,38378,41561,44167,48419,54195
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:8].[N:5](-[C:6])-[C:7]	11	1638,1646,1650,1661,1663,1671,1675,1682,1684,1686,1687
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6].[C:2]-[S:3](=[O:4])(=[O:5])-[O:8]-[S:10](=[O:7])(-[C:9])=[O:11]	11	1731,4189,10882,15370,16274,20620,22738,39329,45239,45240,45241
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[C:3](=[O:4])(-[C:5]=[C:6])-[O:7].[C:1]-[N:2]	11	1749,1750,6372,9967,16524,23720,29727,39885,39886,48423,49397
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-[C:8](-[N:7])=[O:9]):[n:10]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:11]):[n:10].[N:5]-[C:6]-[C:8](-[N:7])=[O:9]	11	1779,2871,2872,7117,17452,17504,18226,21535,25757,26629,42646
+[C:1]-[C:2]-[N:3](-[c:4])-[C:5]>>[N:3](-[c:4])-[C:5].[C:1]-[C:2]=[O:6]	11	2020,2021,2026,2028,2964,3939,13430,20245,21875,33432,51379
+[c:1]-[C:2](-[O:3])-[C:4](-[F:5])(-[F:6])-[F:7]>>[c:1]-[C:2]=[O:3].[C:4](-[F:5])(-[F:6])(-[F:7])-[Si:9](-[C:8])(-[C:10])-[C:11]	11	2055,2059,24329,26753,34516,37831,38334,38340,38343,38344,38345
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[C:7](=[O:8])-[O:10]-[C:9])=[O:11]>>[C:6](-[C:7](=[O:8])-[Cl:13])(=[O:11])-[Cl:12].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1.[C:9]-[O:10]	11	2574,2604,2621,2622,2623,2625,2626,2627,2628,2629,2630
+[C:1]-[C:2](=[O:3])-[c:4]:[c:6]:[n:5]>>[C:1]-[C:2](-[O:3])-[c:4]:[c:6]:[n:5]	11	2858,12380,23616,26502,27725,27945,39097,39110,46881,46883,49139
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+[N:1](-[c:2](:[n:3]):[c:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]>>[N:1]-[c:2](:[n:3]):[c:4].[C:5]-[C:6](-[C:7])(-[C:8])-[O:9]-[C:10](=[O:11])-[O:12]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]	11	3270,20954,21026,21028,21031,21032,21238,21242,21271,21295,21351
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:[c:9]:1:[c:8]>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[n:7]:[c:9]:1:[c:8])-[Cl:10].[C:1]-[N:2]	11	3390,10656,11616,11617,18936,23761,26623,27985,44097,44098,44099
+[C:1]-[S:2](=[O:3])(=[O:4])-[c:5]>>[C:1]-[S:2]-[c:5].[O:3]=[C:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:7](-[Cl:6]):[c:14]:1)-[O:13]-[O:4]	11	3516,12543,36538,36571,36591,36610,36645,36646,36667,36677,36691
+[N:1]-[C:7](-[C:5](=[C:3](-[N:2])-[N:4])-[N:6])=[O:8]>>[N:1]-[C:7](-[C:5](=[C:3](-[N:2])-[N:4])-[N:6]=[O:9])=[O:8]	11	3860,6842,6847,6848,6849,6888,7104,36173,41632,42085,54342
+[c:1]:[c:2](-[C:3]=[C:4]):[c:5]>>[C:3]=[C:4].[c:1]:[c:2](:[c:5])-[Br:6]	11	4212,14239,24193,32482,36130,39280,48803,49644,49674,54084,54085
+[C:1]-[C:2]-[Cl:3]>>[C:1]-[C:2]-[O:6].[Cl:3]-[C:5]-[Cl:4]	11	4253,5655,6671,25717,35084,35103,35104,35113,35114,35122,35126
+[C:1]-[O:2]-[c:3](:[c:4]):[c:6]:[c:5]:[n:7]>>[c:3](:[c:4])(:[c:6]:[c:5]:[n:7])-[F:8].[C:1]-[O:2]	11	4596,4606,5276,12836,19266,30420,30421,30422,30499,33147,40045
+[c:1]-[N:2]=[N:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5]):[c:6].[N:3](=[O:7])-[O:8].[c:1]-[N:2]	11	4659,30266,32529,42691,44193,44631,45287,45368,46123,47199,47229
+[C:1](-[C:2](=[O:3])-[O:4])-[N:5]-[C:7](-[C:6])=[O:8]>>[C:6]-[C:7](=[O:8])-[Cl:9].[C:1](-[C:2](=[O:3])-[O:4])-[N:5]	11	4763,6235,8928,10037,26467,34810,37681,37682,43813,44061,44171
+[O:1]=[C:2](-[C:3])-[N:5](-[c:4])-[C:6]-[C:7]>>[O:1]=[C:2](-[C:3])-[N:5]-[c:4].[C:6](-[C:7])-[I:8]	11	4871,4872,4873,4880,4881,4882,21594,29951,30054,30077,30091
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2](=[O:4])-[O:6]-[C:5]-[C:7].[N:3]	11	4912,14216,14241,16321,20492,27483,32435,40695,40765,40819,40831
+[c:1]:[c:2](-[C:3]-[N:4]):[n:5]>>[c:1]:[c:2](-[C:3](-[N:4])=[O:6]):[n:5]	11	5025,6658,14653,21972,21973,31892,48581,54609,55655,56765,57173
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]>>[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[C:11].[C:1]-[C:2](-[O:12]-[C:13])(-[O:14]-[C:15])-[O:17]-[C:16]	11	5049,5915,26052,27125,33214,33215,33216,33218,43118,43121,43122
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](-[O:4])(-[C:5])=[O:7].[C:1]-[N:2]-[C:6]	11	5098,5100,5101,6874,7257,7724,9732,32631,33727,50760,51299
+[C:1]-[C:2]-[C:3]>>[C:1]=[C:2]-[C:3]	11	6137,17750,22006,23484,24784,49240,50709,51554,54314,55760,56018
+[N:1]-[C:2](-[C:3])-[C:4]>>[N:1](=[C:2](-[C:3])-[C:4])-[O:5]	11	6872,8015,13327,28696,34526,49548,50341,50450,52278,52316,52383
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[B:3](-[O:4])(-[O:5])-[B:13]-1-[O:12]-[C:11]-[C:9](-[C:8])(-[C:10])-[C:15]-[O:14]-1	11	6918,13049,22345,43702,43703,43704,43705,43706,43707,43708,43709
+[N:1]#[C:2]-[C:3](-[N:4](-[C:5])-[C:6])(-[C:7])-[C:8]>>[C:3](-[C:7])(-[C:8])=[O:9].[N:4](-[C:5])-[C:6].[N:1]#[C:2]	11	7585,9175,11496,11662,12284,12689,12712,22511,26294,26296,29854
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]>>[C:1]-[C:2](-[C:4])=[O:5].[C:3]-[Mg:7]-[Br:6]	11	7594,9236,9529,10091,11570,22491,40180,43661,43824,47561,47585
+[n:1]:[c:2](:[n:3])-[S:6](=[O:4])(-[C:5])=[O:7]>>[n:1]:[c:2](:[n:3])-[S:6]-[C:5].[O:4]=[C:14](-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:9](-[Cl:8]):[c:16]:1)-[O:15]-[O:7]	11	9058,12972,27023,27887,34327,34379,36548,36584,36634,36656,36688
+[N:1]#[C:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:9].[N:1]#[C:2]	11	9144,9393,14011,17749,20557,20627,24011,26806,41074,41143,41189
+[C:1]-[N:2](-[C:3]#[N:5])-[C:4]>>[C:1]-[N:2]-[C:4].[C:3](#[N:5])-[Br:6]	11	9657,9705,9793,11513,12887,14823,14852,14903,15227,16222,19645
+[c:1]:1:[c:2]:[n:3]:[c:4](-[Cl:5]):[n:6]:[c:7]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:6]:[c:7]:1)-[O:12].[Cl:5]-[P:9](=[O:8])(-[Cl:10])-[Cl:11]	11	9866,27845,27884,31099,34693,35206,35212,35218,35272,35315,35518
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1>>[c:1]:[c:2]:1:[n:3](:[c:4]:[c:5]:[c:6]:1)-[S:8](=[O:7])(=[O:9])-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2	11	9962,10048,14161,14163,19256,45159,46188,46189,46252,53035,53768
+[n:1]:[c:2](-[C:3](-[N:4])=[S:5]):[c:6]>>[n:1]:[c:2](-[C:3](-[N:4])=[O:14]):[c:6].[S:5]=[P:24]-1(-[S:11]-[P:21](-[c:20]:2:[c:12]:[c:13]:[c:17](-[O:16]-[C:15]):[c:18]:[c:19]:2)(=[S:22])-[S:23]-1)-[c:25]:3:[c:10]:[c:9]:[c:28](-[O:7]-[C:8]):[c:27]:[c:26]:3	11	10297,45277,45297,45299,45301,45532,45549,46216,46219,49905,55380
+[O:1]=[C:2](-[C:3])-[N:4]-[N:5]>>[O:1]=[C:2](-[C:3])-[O:8]-[C:7]-[C:6].[N:4]-[N:5]	11	10684,14248,14286,16099,27742,36784,36897,37376,37793,41454,42299
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7]>>[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7])-[Cl:10].[c:1]-[N:2]	11	11199,14030,14262,27655,34507,45641,48376,51438,51846,52818,54923
+[c:1](:[c:2]-[C:3](-[N:4])=[O:6]):[n:5]>>[c:1](:[c:2]-[C:3]#[N:4]):[n:5].[O:6]-[O:7]	11	11316,11655,13323,17837,19803,21876,41329,41339,47285,47286,47302
+[c:1]:[c:2](-[c:3](:[c:4]):[n:6]:[n:5]):[c:7]>>[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:17].[c:1]:[c:2](:[c:7])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16]	11	11586,14480,28354,28675,28676,28677,29071,29112,29115,29148,29241
+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1>>[c:1]:1:[c:2]:[n:3](:[n:4]:[c:5]:1)-[C:9]-2-[C:8]-[C:7]-[C:6]-[C:11]-[O:10]-2	11	12854,12915,13499,27411,30232,34612,37138,52258,56999,57020,57167
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[n:10]:1>>[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[N:10].[c:1]-[C:2]=[O:11]	11	12966,14434,32421,34500,36447,38798,41976,41978,42503,42713,48377
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[B:10]-1-[O:9]-[C:8]-[C:15](-[C:7])(-[C:12]-[O:11]-1)-[C:14].[c:1]:[c:2](:[c:6])-[Br:13]	11	13041,13632,16232,16233,16234,16235,16236,22773,28809,28810,43711
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[O:11]-[B:9](-[O:8])-[O:10].[c:1]:[c:2](:[c:6])-[Br:7]	11	13282,19818,26784,29408,33495,44247,44248,46394,46395,46396,46397
+[c:1]-[O:2]-[C:3]-[c:4]:[c:6]:[n:5]>>[C:3](-[c:4]:[c:6]:[n:5])-[Cl:7].[c:1]-[O:2]	11	14611,27674,34576,39256,41625,48445,48503,49589,54500,54656,55853
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[C:1]-[C:2](-[C:8]-[C:6]#[N:7])=[O:9].[N:3]-[N:4]-[c:5]	11	17151,17301,17302,17304,17305,17306,17307,17308,29645,37654,52609
+[c:1]-[N:2]-[C:3]=[O:4]>>[c:1]-[N:2].[C:3](=[O:4])-[O:5]	11	17866,25380,33986,39515,42653,42681,42718,46896,46910,46914,46918
+[c:1]:[c:2](-[O:3]-[c:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[I:6].[O:3]-[c:4]	11	18266,18488,21982,22853,36857,43594,48326,49315,50983,52828,53553
+[N:1]-[c:2](:[n:3]):[c:4]>>[N:1](-[c:2](:[n:3]):[c:4])-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7](-[O:6]-[C:5]):[c:13]:[c:12]:1	11	22704,54386,54391,54392,54393,55162,55163,55164,55165,55166,56948
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[I:16].[c:1]:[c:2](:[c:6])-[B:11]-1-[O:10]-[C:8](-[C:7])(-[C:9])-[C:13](-[O:12]-1)(-[C:14])-[C:15]	11	23509,23510,27457,28431,28470,28963,28964,29131,29132,29219,29245
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6]):[n:9]:1:[c:8]:[c:7]>>[C:1]-[C:2](-[N:3]-[N:4]-[c:5](:[c:6]):[n:9]:[c:8]:[c:7])=[O:10]	11	23710,24918,24919,25982,26382,26383,26384,28705,39932,48318,51848
+[O:1]-[C:2](-[C:3]-[C:4])-[c:5]>>[C:3](-[C:4])-[Mg:7]-[Br:6].[O:1]=[C:2]-[c:5]	11	26869,29915,31271,31273,31274,31276,31279,33561,39281,47590,52273
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5](-[F:6])(-[F:7])-[F:8]>>[c:1]-[N:2].[C:3](=[O:4])(-[C:5](-[F:6])(-[F:7])-[F:8])-[O:11]-[C:10](=[O:9])-[C:12](-[F:13])(-[F:14])-[F:15]	11	27288,37305,37306,37321,37322,37326,37327,37334,37337,37339,37341
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](=[O:3])-[N:6](-[O:5]-[C:4])-[C:7]	11	27853,32527,34445,35920,36116,38715,39136,39139,39231,48605,48882
+[c:1]-[C:2](=[N:3])-[Cl:4]>>[c:1]-[C:2]=[N:3].[Cl:4]-[N:11]-1-[C:6](=[O:5])-[C:7]-[C:8]-[C:9]-1=[O:10]	11	28902,29485,36946,37995,38753,39435,40370,44335,44370,44374,44378
+[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1>>[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:14]-[O:13]-[C:12]-[C:11]-[Si:8](-[C:7])(-[C:9])-[C:10]	11	34003,34009,34011,34012,34016,34017,34061,34067,34071,34072,34076
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[O:9]-[S:7](=[O:6])(=[O:8])-[C:10](-[F:11])(-[F:12])-[F:13].[C:3]#[N:4]	11	38264,38283,38284,38286,38300,38302,38304,38305,38307,38308,38311
+[c:1]:1:[n:2]:[n:3](-[C:4]-[C:5](=[O:6])-[O:9]):[c:7]:[c:8]:1>>[C:4](-[C:5](=[O:6])-[O:9])-[Br:10].[c:1]:1:[n:2]:[n:3]:[c:7]:[c:8]:1	10	685,18113,18159,30634,30640,30643,30666,30670,30686,30730
+[c:1]-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]>>[C:3](-[C:4])-[Br:7].[C:5]-[C:6]-[Br:8].[c:1]-[N:2]	10	880,881,882,883,884,891,892,893,894,4515
+[n:1]:[c:2](-[O:3]-[C:5]):[c:4]>>[n:1]:[c:2](-[O:3]):[c:4].[C:5]-[I:6]	10	1056,5806,5946,31321,31381,31459,31643,31717,31841,31842
+[c:1]:[c:2](-[C:3](-[N:4])=[O:6]):[s:5]>>[c:1]:[c:2](-[C:3](=[O:6])-[O:7]):[s:5].[N:4]	10	1190,14614,16033,40715,40883,40917,40918,40919,41007,41009
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[o:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]):[o:7].[N:5]-[c:6]	10	1235,1236,20025,25456,27727,36364,42683,43390,48961,53211
+[C:1]-[C:2]#[C:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[C:1]-[C:2]#[C:3].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:9]	10	1353,1365,1383,1399,4256,5567,12848,48869,50352,51478
+[C:1](-[C:2](=[O:6])-[O:7])-[C:3](-[C:4])-[O:5]>>[C:1](-[C:2](=[O:6])-[O:7])-[C:3](-[C:4])=[O:5]	10	1554,3823,11975,18042,18171,23228,54734,56183,56237,56647
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:7].[N:5]-[C:6]	10	1644,1651,1653,1654,1667,1669,1670,1683,4401,52740
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[Cl:8].[c:1]-[N:2]	10	1947,1948,1949,6604,6606,6607,38318,39957,40298,51568
+[c:1]-[N:2]-[C:3](-[N:4]-[c:5])=[S:6]>>[C:3](=[N:4]-[c:5])=[S:6].[c:1]-[N:2]	10	2062,25160,36358,38479,41417,45912,49239,50401,50575,53554
+[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:7])-[C:6]>>[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[O:7])-[C:6]	10	2806,7456,11495,13326,18812,21606,27520,31953,54056,56232
+[n:1]:[c:2](-[N:3]=[C:4]=[O:5]):[s:6]>>[n:1]:[c:2](-[N:3]):[s:6].[C:4](=[O:5])(-[Cl:7])-[Cl:8]	10	2853,11438,25776,34941,34948,34949,34950,34951,34953,34956
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[N:6])-[Cl:7]	10	3071,7545,7717,13802,14782,22891,25514,27040,31926,31927
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[n:9]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:10]):[n:9]	10	3141,3960,11604,12710,15604,20878,22683,32635,39060,40194
+[C:1]-[N:2](-[C:3])-[c:4]:1:[n:5]:[c:6]:[n:7]:[c:8](:[c:9]:1):[n:10]>>[C:1]-[N:2]-[C:3].[c:4]:1(:[n:5]:[c:6]:[n:7]:[c:8](:[c:9]:1):[n:10])-[Cl:11]	10	3153,7864,14740,15647,15648,15684,18640,19728,23855,43638
+[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:8]):[s:7]>>[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:13]):[s:7].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	10	3210,8843,19793,35197,35216,35242,35302,35334,35487,35524
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:10]-[C:9]-[C:8].[C:1]-[N:2]	10	3217,11013,30176,30208,31088,31178,34310,41942,49583,56875
+[n:1]:[c:3](:[c:2])-[N:4]-[c:5](:[c:6]):[c:7]>>[n:1]:[c:3](:[c:2])-[N:4].[c:5](:[c:6])(:[c:7])-[Br:8]	10	3314,20765,21795,34272,42839,49108,49815,51030,52772,53497
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:1]-[N:2]-[C:4](=[O:5])-[C:6].[C:3]-[I:7]	10	3532,8001,13532,22778,31399,31400,31401,31504,31802,31832
+[C:1]-[C:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:6]	10	3663,8906,9288,17464,18814,23390,24792,30946,53686,56079
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[n:7]>>[C:4](=[O:5])(-[C:6])-[Cl:8].[n:1]:[c:2](-[N:3]):[n:7]	10	3924,3930,4760,10597,10601,10629,23025,26443,32510,39679
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:10]-[C:9]	10	4587,6677,15455,17677,26979,30172,38841,46936,54814,55352
+[C:1]-[S:2]-[C:3]-[C:4]>>[C:1]-[S:2].[C:3](-[C:4])-[O:9]-[S:6](-[C:5])(=[O:7])=[O:8]	10	4674,11475,18652,20020,22280,22282,31258,38665,45873,47465
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[c:6]):[c:7]:[c:8]:1>>[n:1]:1:[c:2]:[c:3]:[c:7]:[c:8]:1.[C:4](=[O:5])(-[c:6])-[Cl:9]	10	4805,14448,36727,40326,45588,48570,50172,50251,50301,50303
+[C:1]-[C:2]-[O:3]-[c:4]:[c:6]:[n:5]>>[C:1]-[C:2]-[I:7].[O:3]-[c:4]:[c:6]:[n:5]	10	4884,5795,10971,17680,30038,30056,30058,30081,30128,30129
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2]=[O:3].[O:4]-[C:6](-[C:5])(-[C:7])-[C:8]	10	5801,17921,17926,17945,17946,17947,17948,17961,17964,17986
+[c:1]:[c:2]:1:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[c:8]:[c:9]:[n:10]:1>>[c:1]:[c:2]:1:[n:3]:[c:4](:[c:8]:[c:9]:[n:10]:1)-[Cl:11].[N:5](-[C:6])-[C:7]	10	6987,7720,7722,7727,10274,11205,15078,15609,31139,31140
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[C:1]-[C:2](-[N:3]-[c:4](:[c:5](:[c:6])-[N:8]):[c:7])=[O:9]	10	7595,10190,16133,19021,19913,22158,22159,42465,48239,48554
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[C:1]-[C:2](=[O:3])-[N:4]-[O:5]-[C:9]-1-[C:8]-[C:7]-[C:6]-[C:11]-[O:10]-1	10	7858,10578,44851,44860,46141,52203,53216,53516,54241,55907
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[O:6]>>[N:5]-[O:6].[C:1]=[C:2]-[C:3](=[O:4])-[O:7]	10	7859,11459,16281,16285,16289,16290,16292,16295,16297,47024
+[c:1](:[n:2]):[c:8]:1:[n:3]:[c:4]:[n:5]:[c:6]:1-[Br:7]>>[Br:7]-[N:14]-1-[C:9](-[C:10]-[C:11]-[C:12]-1=[O:13])=[O:15].[c:1](:[n:2]):[c:8]:1:[n:3]:[c:4]:[n:5]:[c:6]:1	10	8086,8087,8088,8098,8220,8367,8368,8730,8731,8750
+[c:1](:[c:2]-[C:3]-[Br:4]):[s:5]>>[c:1](:[c:2]-[C:3]):[s:5].[Br:4]-[N:10]-1-[C:8](-[C:7]-[C:6]-[C:12]-1=[O:11])=[O:9]	10	8100,8265,8304,8325,8487,8513,8524,8628,8643,8711
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:3](:[c:4])(:[c:6]:[n:5])-[I:8].[c:1]:[c:2](:[c:7])-[B:10](-[O:9])-[O:11]	10	8819,14252,16150,39607,39687,40602,40617,42812,46654,50060
+[c:1]-[n:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[N:2].[C:3](-[O:9]-[C:8]-[C:7])(-[O:10]-[C:11]-[C:12])-[O:13]-[C:14]-[C:15].[N-:4]=[N+:5]=[N-:6]	10	8883,19397,28840,31037,31038,31046,31047,31048,31049,31050
+[c:1]:[c:2]:1:[n:3]:[c:4](-[N:5]-[C:6]):[n:7]:[c:8]:[c:9]:1>>[N:5]-[C:6].[c:1]:[c:2]:1:[n:3]:[c:4](:[n:7]:[c:8]:[c:9]:1)-[Cl:10]	10	9493,14340,19154,19573,22224,23548,23605,23890,29981,51240
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1)-[Cl:9].[C:1]-[O:2]	10	9954,10859,13582,21986,23003,32866,33084,37900,42433,54684
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1):[c:8]>>[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	10	10226,17528,17558,34736,34737,38502,45379,45973,46434,46435
+[c:1]:[c:3](:[n:2])-[C:4]-[C:5]-[c:6]>>[c:1]:[c:3](:[n:2])-[C:4]#[C:5]-[c:6]	10	10479,10529,17179,19313,22745,24216,39392,39812,39846,49809
+[c:1]:[c:2](-[N:3]-[S:4](-[C:5])(=[O:6])=[O:7]):[n:8]>>[c:1]:[c:2](-[N:3]):[n:8].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:9]	10	10633,15981,21472,29630,44897,44910,44953,45051,45341,45418
+[c:1]:[c:2](-[c:3](:[c:4]):[c:7]:[c:6]:[n:5]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3](:[c:4])(:[c:7]:[c:6]:[n:5])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	10	10636,11539,11541,28467,29063,29228,29246,29247,29249,29250
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1>>[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:10]-2-[C:9]-[C:8]-[C:7]-[C:12]-[O:11]-2	10	11273,11455,12009,13421,26853,32429,39533,49669,55622,55991
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:3]-1-[O:4]-[C:5]-[C:6]-[C:7]-[C:8]-1	10	11930,16299,16300,25426,38108,40032,43697,49336,54043,56728
+[O:1]=[C:2](-[N:3](-[C:4]-[c:5])-[C:6])-[C:7]>>[O:1]=[C:2](-[N:3]-[C:6])-[C:7].[C:4](-[c:5])-[Br:8]	10	12322,12323,13071,18835,20176,22102,22784,24722,24723,48872
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5](:[c:6]):[c:7]>>[c:5](:[c:6])(:[c:7])-[Br:8].[C:3]=[O:4].[C:1]-[O:2]	10	12932,16589,16600,16603,16642,16643,16644,16647,16650,16651
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[N:4](-[C:5])-[c:6].[C:1]-[C:2](=[O:3])-[O:10]-[C:8](-[C:7])=[O:9]	10	13271,16076,16825,16865,16889,16955,16966,17053,17093,17101
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[s:8]:1>>[c:5](:[c:6])(:[c:7])-[Br:9].[c:1]:1:[c:2]:[c:3]:[c:4](:[s:8]:1)-[B:11](-[O:10])-[O:12]	10	13621,24184,41368,44723,46789,46790,46791,46792,46793,46795
+[C:1](=[O:2])(-[N:3]-[c:4](:[n:5]):[s:6])-[O:7]>>[N:3]-[c:4](:[n:5]):[s:6].[C:1](=[O:2])(-[O:7])-[Cl:8]	10	14495,14541,20788,30782,42849,42860,42864,42868,46140,49761
+[c:1]:[c:2](-[N:3]-[C:4]-[c:5]):[n:6]>>[c:1]:[c:2](-[N:3]):[n:6].[C:4](-[c:5])=[O:7]	10	14546,36046,36048,36292,36850,42748,44674,49719,49817,54551
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-1-[O:3]-[C:5]-[C:4]-[O:6]-1	10	15296,15298,15299,15300,15301,15302,43868,43869,43870,43871
+[c:1]:[c:2](-[C:3]-[O:7]):[n:4]:[c:5]:[c:6]>>[c:1]:[c:2](-[C:3]):[n+:4](:[c:5]:[c:6])-[O-:7]	10	15364,16305,33237,33285,33301,48115,48119,49501,51458,52974
+[c:1]-[C:2](=[O:3])-[c:4]:[c:6]:[n:5]>>[c:1]-[C:2](-[O:3])-[c:4]:[c:6]:[n:5]	10	17546,35936,44311,45364,45715,48141,48153,48154,53803,56306
+[c:1]-[S:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[F:6].[c:1]-[S:2]	10	18000,44805,48070,48075,49032,50538,50785,50958,53010,53551
+[c:1]-[N:2](-[C:3])-[C:4]=[O:5]>>[c:1]-[N:2]-[C:4]=[O:5].[C:3]-[I:6]	10	21666,31442,31443,31471,31494,31496,31665,31708,31786,31812
+[N:1]-[C:2]-[c:3]>>[N:1](=[C:2]-[c:3])-[O:4]	10	21758,24465,29397,29455,33527,40334,50915,53997,55204,55329
+[O:1]-[c:2]>>[O:1](-[c:2])-[C:6](=[O:5])-[c:7]:1:[c:4]:[c:3]:[c:10]:[c:9]:[c:8]:1	10	24093,39192,51958,51959,52049,52050,52051,52052,53353,55022
+[C:1]-[n:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:1>>[n:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:1.[C:1]-[I:7]	10	25449,31122,31448,31468,31571,31649,31683,31755,31758,31766
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2].[O:3]=[Mn:6](=[O:5])(=[O:7])-[O:8].[O:4]	10	25527,33364,33479,34552,34558,42904,42905,42906,42907,42908
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[s:6]:1):[c:7]):[c:8]>>[N:3]-[c:4](:[c:5]:[c:7]):[c:8].[N:1]#[C:2]-[S:6]	10	26153,37556,37558,47475,47477,47479,47480,47481,47482,47483
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]):[s:6])-[C:7]>>[C:3](-[c:4](:[c:5]):[s:6])-[Cl:8].[C:1]-[N:2]-[C:7]	10	29322,41460,46080,46848,46849,46850,51989,53799,54567,54568
+[c:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7].[c:1]-[C:2]-[Br:9]	10	33351,36739,38733,38778,39040,41340,49197,50998,50999,51413
+[c:1]-[O:2]-[C:3](-[F:4])-[F:5]>>[c:1]-[O:2].[C:3](-[F:4])(-[F:5])(-[C:7](=[O:6])-[O:8])-[Cl:9]	10	35963,37119,37120,37121,37122,37123,37124,37125,37127,37128
+[c:1]:[c:2](-[S:3]-[c:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[Cl:6].[S:3]-[c:4]	10	36100,36192,36247,36495,39163,48092,48836,50791,53009,53454
+[c:1]-[S:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[I:6].[c:1]-[S:2]	10	37248,39230,39763,42497,44308,48693,49562,50627,50663,51051
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:6]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[C:8](-[F:7])(-[F:9])-[F:10].[O:6]	10	37359,37363,37364,37365,37636,37637,37638,37661,37662,37663
+[c:1]-[N:10]>>[c:1]-[N:10]=[C:15](-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:[c:7]:1)-[c:14]:2:[c:8]:[c:9]:[c:11]:[c:12]:[c:13]:2	10	52120,52122,52124,52126,52127,52128,52129,56110,56111,56112
+[O:1]=[C:2](-[C:3])-[N:5]-[c:4]>>[O:1]=[C:2](-[C:3])-[Br:6].[c:4]-[N:5]	9	603,607,608,610,611,616,2221,17172,29634
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2]-[Br:5].[C:3]#[N:4]	9	722,15907,24965,25946,37474,41010,41030,41111,41162
+[C:1]-[N:2](-[C:3]-[C:4])-[S:5]>>[C:3](-[C:4])-[Br:6].[C:1]-[N:2]-[S:5]	9	797,798,1550,4844,5583,8970,24949,27109,30963
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Mg:8]-[Br:7].[C:1]-[C:2](=[O:3])-[N:11](-[O:10]-[C:9])-[C:12]	9	1027,1030,22160,23180,44082,44083,49125,54889,56028
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]-[C:7]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:8].[O:5]-[C:7].[C:3](=[O:4])-[N:10](-[C:9])-[C:11]	9	1080,24396,25669,31899,32043,32047,32048,32049,32051
+[c:1]:[c:2](-[N:3]-[c:4](:[n:5]):[c:6]):[n:7]:[c:8]:[c:9]>>[c:1]:[c:2](:[n:7]:[c:8]:[c:9])-[Br:10].[N:3]-[c:4](:[n:5]):[c:6]	9	1086,1087,10733,33578,34535,39088,39956,49820,50016
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]):[c:8]):[c:9]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[Br:12].[c:6](:[c:7])(:[c:8])-[B:10](-[O:11])-[O:13]	9	1174,37045,37046,37451,44833,46519,46740,48516,53412
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[s:7]:1):[c:8]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[s:7]:1)-[Br:13].[c:1]:[c:2](:[c:8])-[B:18]-1-[O:9]-[C:10](-[C:11])(-[C:12])-[C:15](-[C:14])(-[C:16])-[O:17]-1	9	1204,11559,11902,16160,21494,28704,28976,29106,29164
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[c:8]:[s:9]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:10]):[c:8]:[s:9].[N:5](-[C:6])-[C:7]	9	1207,3274,11548,20388,24233,37533,37534,37542,39782
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[C:6]#[C:7]):[n:8]:1>>[C:6]#[C:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:8]:1)-[Cl:9]	9	1463,1621,1622,10390,10391,10392,17218,37298,53502
+[C:1]-[C:2]-[N:3]-[c:4]:[c:6]:[n:5]>>[N:3]-[c:4]:[c:6]:[n:5].[C:1]-[C:2]=[O:7]	9	2023,18968,21451,26555,29371,29805,39162,43443,44594
+[C:1]-[C:2](-[N:3])-[c:4]>>[C:1]-[C:2](=[N:3]-[O:5])-[c:4]	9	2217,2956,23171,46818,49682,49896,54985,55275,55285
+[c:1]-[C:2](-[C:3])-[N:4]=[N+:8]=[N-:7]>>[c:1]-[C:2](-[C:3])-[O:6].[N:4](=[N+:8]=[N-:7])-[P:10](=[O:9])(-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)-[c:17]:2:[c:5]:[c:21]:[c:20]:[c:19]:[c:18]:2	9	2863,3882,10351,38306,38419,48456,52006,52992,52994
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1>>[c:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1)-[Cl:9]	9	3245,7539,7544,12815,36243,44100,47824,49010,56731
+[C:1](-[O:2])-[C:3]-[N:4]-[c:5]>>[C:1]-1-[O:2]-[C:3]-1.[N:4]-[c:5]	9	3303,3861,10888,11113,12330,12552,20424,20425,36355
+[c:1]:1:[c:2](-[Cl:3]):[n:4]:[c:5]:[n:6]:1>>[c:1]:1:[c:2]:[n:4]:[c:5]:[n:6]:1.[Cl:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	9	3441,5346,13423,19785,36401,36406,39562,44329,44352
+[c:1]:1:[c:2](-[N:3]-[c:4](:[n:5]):[c:6]):[c:7]:[c:8]:[n:9]:[n:10]:1>>[N:3]-[c:4](:[n:5]):[c:6].[c:1]:1:[c:2](:[c:7]:[c:8]:[n:9]:[n:10]:1)-[Cl:11]	9	3444,3445,3446,3447,3448,3449,3450,3451,25731
+[c:1]-[C:2]=[C:3](-[C:4])-[C:5]>>[c:1]-[C:2]-[P:6](=[O:7])(-[O:8]-[C:9]-[C:10])-[O:14]-[C:13]-[C:12].[C:3](-[C:4])(-[C:5])=[O:11]	9	3475,10172,17460,22503,22504,22517,26298,38424,39574
+[N:1]#[C:2]-[C:3](=[C:4]-[C:5])-[C:6](=[O:7])-[N:8]>>[N:1]#[C:2]-[C:3]-[C:6](=[O:7])-[N:8].[C:4](-[C:5])=[O:9]	9	3564,10752,10755,10756,10757,10758,10762,16136,17712
+[C:1]=[C:2]-[C:3]-[O:4]-[C:5]>>[C:1]=[C:2]-[C:3]-[Br:6].[O:4]-[C:5]	9	3595,3596,3597,3601,3611,3637,3643,3645,3650
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1-[C:9]):[c:7]>>[C:1]-[C:2](=[O:10])-[Cl:11].[N:3]-[c:4](:[c:5](:[c:6])-[N:8]-[C:9]):[c:7]	9	4107,5879,9021,9361,11705,15427,15498,17631,26459
+[C:1](-[O:2])-[C:3]-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-1-[O:2]-[C:3]-1	9	4125,9001,15258,27273,29744,33020,33173,46982,53795
+[N:1](-[C:2]-[C:3])(-[C:5]=[O:4])-[C:6]=[O:7]>>[C:2](-[C:3])-[Cl:8].[N:1](-[C:5]=[O:4])-[C:6]=[O:7]	9	4184,4664,6056,6722,25882,48801,54845,55814,55816
+[C:1](=[O:2])-[O:3]-[c:4](:[c:5]):[c:6]>>[C:1](=[O:2])-[O:3].[c:4](:[c:5])(:[c:6])-[O:7]	9	4291,6154,27817,33587,40088,48256,50821,53631,55063
+[C:1]-[N:2]=[C:3]-[c:4]>>[C:3](-[c:4])=[O:5].[C:1]-[N:2]	9	4576,12980,14387,14426,25054,29876,32305,41825,42005
+[C:1]-[N:2]-1-[C:3]-[c:4]:[c:5]-[C:6]-1=[O:7]>>[C:1]-[N:2].[C:3](-[c:4]:[c:5]-[C:6](=[O:7])-[O:9]-[C:8])-[Br:10]	9	4586,6100,6103,6104,6297,6547,6548,6585,23892
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[n:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[n:6]):[n:7])-[O:8]	9	4615,7183,18832,22118,31314,31316,31317,42095,51885
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[c:9]:[n:10]:1:2>>[C:1]-[C:2](-[N:3]-[C:4]-[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:[n:10]:1)=[O:11]	9	4820,9353,28728,39867,56415,57049,57050,57051,57052
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n+:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n+:6]:[c:7]:[c:8]:1)-[Cl:9]	9	5140,5188,5279,5791,11557,15282,16308,32844,43719
+[c:1]:[c:2](-[C:3]=[C:4]-[C:5]):[c:6]>>[C:3]=[C:4]-[C:5].[c:1]:[c:2](:[c:6])-[Br:7]	9	5195,9266,15433,18399,36117,36763,41248,48755,49470
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[C:1]-[C:2](=[O:8])-[O:9].[N:3]=[C:4](-[c:5])-[N:6]-[O:7]	9	5458,7581,18233,19881,20099,22132,22163,22167,29769
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[c:9]>>[C:1]-[N:2]-[c:9].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:10]	9	5636,13612,36874,36877,41462,49073,49806,49960,51381
+[c:1]-[N:2]=[C:3]=[O:4]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:9]-[C:6](-[Cl:5])(-[Cl:7])-[Cl:8])-[O:10]-[C:11](-[Cl:12])(-[Cl:13])-[Cl:14]	9	5935,22774,34875,34877,34888,34890,34896,34905,34909
+[c:1]:[c:2](-[C:3](-[N:4])=[O:5]):[n:6]>>[c:1]:[c:2](-[C:3]#[N:4]):[n:6].[O:5]-[S:8](=[O:7])(=[O:9])-[O:10]	9	6024,31218,38871,39066,39902,45792,45798,45820,45821
+[N:1](-[C:2](=[C:3](-[N:4])-[N:5])-[C:7](-[N:6])=[O:8])=[O:9]>>[C:2](=[C:3](-[N:4])-[N:5])-[C:7](-[N:6])=[O:8].[N:1](=[O:9])-[O:10]	9	6126,6844,16465,41579,42105,42106,47201,47213,47236
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[Cl:8]	9	6251,6353,6626,6629,6631,26158,28957,34483,50253
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5]-[C:7]=[O:6]>>[c:1]-[N:2].[C:3](=[S:4])=[N:5]-[C:7]=[O:6]	9	6382,15520,28769,32393,50339,50653,51939,51941,51943
+[c:1]:1:[c:2]:[n:3]:[c:4](-[Br:5]):[n:6]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:6]:1.[Br:5]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	9	6697,6841,8140,8205,8237,8241,8261,8354,8678
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[s:8]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:9]):[s:8].[N:5](-[C:6])-[C:7]	9	6699,7807,10332,13023,13882,17323,25453,32681,37438
+[c:1]:1:[n:2]:[n:3](:[c:4](:[c:5]):[c:6]:1)-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]>>[c:1]:1:[n:2]:[n:3]:[c:4](:[c:5]):[c:6]:1.[C:7]-[C:8](-[C:9])(-[C:10])-[O:11]-[C:12](=[O:13])-[O:14]-[C:20](-[O:19]-[C:16](-[C:15])(-[C:17])-[C:18])=[O:21]	9	6724,20936,20939,20952,21147,21190,21304,21353,21354
+[n:1]:[c:3]:1:[c:2]:[c:7](:[n:6]:[c:5]:[n:4]:1)-[N:8]>>[n:1]:[c:3]:1:[c:2]:[c:7](:[n:6]:[c:5]:[n:4]:1)-[Cl:9].[N:8]	9	6890,9523,11868,11870,13998,14623,27866,40849,40934
+[c:1]:[c:2](-[O:3]-[C:4]):[c:5]:[n:6]>>[c:1]:[c:2](:[c:5]:[n:6])-[F:7].[O:3]-[C:4]	9	6917,13158,26220,27516,27525,27528,27788,28785,30331
+[C:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1>>[C:1]-[C:2]-[Cl:8].[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1	9	6938,9857,16158,36359,41624,43778,51297,53267,56702
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2]#[N:5].[O:3].[O:4]	9	6973,10979,12204,26723,38547,42873,42876,42878,42879
+[c:1]:[c:2](-[c:3]:1:[c:4](-[c:5]):[n:6]:[c:7](-[C:8]):[s:9]:1):[n:10]>>[N:6]-[C:7](-[C:8])=[S:9].[c:1]:[c:2](-[C:3]-[C:4](-[c:5])=[O:11]):[n:10]	9	7031,17438,17439,19017,19018,23277,26461,26462,26463
+[C:1](-[c:2](:[c:3]:[n:4]):[n:5])-[O:6]>>[C:1](-[c:2](:[c:3]:[n:4]):[n:5])(=[O:6])-[O:7]-[C:9]-[C:8]	9	7122,9572,15890,15986,18375,30868,32519,48394,53523
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[Br:6]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1.[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	9	7157,8314,8335,8426,8446,8488,8602,8639,8740
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]):[n:6]>>[c:1]:[c:2](-[C:3]#[N:7]):[n:6].[O:4].[O:5]	9	7325,11390,34734,34735,40050,42872,42880,42883,42885
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[o:7]:1>>[c:1]-[C:2](-[N:3]-[N:4]-[C:5](-[C:6])=[O:8])=[O:7]	9	7520,17617,19934,24672,26494,52032,53530,53766,55119
+[c:1]-[C:2]=[N:3]-[N:4]>>[N:3]-[N:4].[c:1]-[C:2]=[O:5]	9	7562,12984,14261,14458,14559,14560,51520,51879,54117
+[c:1](:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]):[n:8]>>[N:4](-[C:5])-[C:6].[c:1](:[c:2](-[C:3]=[O:9]):[n:7]):[n:8]	9	7831,7832,10334,10860,12911,13828,13841,23908,37582
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[N:6]):[n:7]:1>>[C:5](-[N:6])#[N:8].[C:1]-[C:2](-[N:3]-[O:4])=[N:7]	9	7850,9804,9805,9806,9809,13399,13521,13569,41731
+[C:1]#[N:2]>>[C:1]#[N+:2]-[C:11]-[S:8](-[c:7]:1:[c:6]:[c:5]:[c:4](-[C:3]):[c:13]:[c:12]:1)(=[O:9])=[O:10]	9	7880,7922,8017,18065,22094,46081,52776,55401,55402
+[c:1]:[c:2](-[C:3](-[C:4]-[C:5]-[C:6](=[O:7])-[O:8])=[O:10]):[c:9]>>[c:1]:[c:2]:[c:9].[C:3]-1(-[C:4]-[C:5]-[C:6](=[O:7])-[O:8]-1)=[O:10]	9	8782,8784,8794,8795,8798,8802,8803,8805,28595
+[C:1]-[C:2](=[O:3])-[N:4](-[c:5](:[c:6]):[c:7])-[C:8]>>[C:1]-[C:2](=[O:3])-[N:4]-[C:8].[c:5](:[c:6])(:[c:7])-[I:9]	9	9143,12595,13077,19235,21542,30943,38645,42688,44457
+[C:1]-[C:2](=[O:3])-[O:11]-[N:10]-1-[C:5](=[O:4])-[C:6]-[C:7]-[C:8]-1=[O:9]>>[C:1]-[C:2](=[O:3])-[O:12].[O:4]=[C:5]-1-[C:6]-[C:7]-[C:8](=[O:9])-[N:10]-1-[O:11]	9	9263,19045,23355,26422,32276,43790,44052,44443,44444
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2]-[S:7](-[C:6])(=[O:8])=[O:9].[c:3](:[c:4])(:[c:5])-[O:10]	9	9286,9535,15432,19258,19297,20454,24217,45227,45877
+[C:1](-[N:2])-[C:3]-[O:4]>>[C:1]-1-[N:2]-[C:6](-[O:4]-[C:3]-1)=[O:5]	9	9329,10740,11491,25861,38986,39425,39452,50620,51230
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:6](-[C:5])-[C:7]	9	9564,27224,27227,27228,27229,27230,27247,27248,54057
+[C:1]-[C:2]=[C:3](-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[C:2]-[C:3](-[C:9])=[O:10].[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1	9	9609,9611,13337,13339,13341,13346,22520,22521,22522
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2]-[O:6]	9	9755,13650,13683,15725,15727,18533,19642,48990,48991
+[c:1]-[N:2]>>[c:1]-[N:2]-[C:4](=[O:3])-[O:5]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	9	9917,9997,15943,20419,31885,38576,54166,56555,56558
+[c:1]-[N:2](-[C:3])-[C:4]>>[c:1]-[N:2]-[C:4].[C:3]-[I:5]	9	10266,20694,28549,31378,31444,31675,31718,31795,31810
+[n:1]:[c:2](-[C:3]-1=[N:4]-[C:5]-[C:6](-[C:7]-[C:8](=[O:9])-[O:12])-[S:10]-1):[c:11]>>[n:1]:[c:2](-[C:3](-[N:4])=[S:10]):[c:11].[C:5]-[C:6]#[C:7]-[C:8](=[O:9])-[O:12]	9	10296,30535,30536,30537,30538,30539,30540,30541,30547
+[c:1]:1:[c:2]:[n:3]:[c:4](-[O:5]-[c:6]):[n:7]:[c:8]:1>>[O:5]-[c:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[Cl:9]	9	10554,10564,27717,28818,29572,33586,34489,39790,55201
+[C:1]-[N:2](-[C:3]-[c:4](:[n:5]):[n:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](-[c:4](:[n:5]):[n:6])-[Cl:8]	9	10895,12736,12764,13681,14695,15080,16434,19636,47367
+[S:1](=[O:2])(=[O:3])(-[c:4])-[Cl:5]>>[S:1](=[O:2])(=[O:3])(-[c:4])-[O:9].[Cl:5]-[S:7](=[O:6])-[Cl:8]	9	10956,35622,35623,35624,35625,35627,35632,35633,35731
+[C:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:12]=[O:11]>>[C:1]-[C:2]-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9].[N:3](-[C:4]=[O:5])-[C:12]=[O:11]	9	11150,18015,38685,45197,45200,45215,45220,49936,55109
+[O:1]-[C:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]>>[O:1]=[C:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[O:10]-[C:9]-[C:8]	9	11269,20743,31104,31119,38845,39923,51536,57133,57134
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6].[N:1]-[N:2]	9	11746,24311,42163,42174,42201,42203,42208,42222,51752
+[c:1]:[c:2](-[N:3]):[n:4]>>[c:1]:[c:2](-[n:3]:1:[c:6](-[C:5]):[c:7]:[c:8]:[c:9]:1-[C:10]):[n:4]	9	11822,34545,34546,34547,49518,49520,49521,51511,56273
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[c:1]-[C:2](=[O:3])-[O:8]	9	11856,15517,16163,24856,25720,34457,42842,42846,46058
+[c:1]:[c:2](-[n:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[n:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1	9	11963,15801,36518,38644,47822,48180,48184,53200,56977
+[C:1]-[S:2](=[O:3])(=[O:4])-[c:5]>>[C:1]-[S:2]-[c:5].[O:3]-[O:4]	9	12120,26110,28596,28773,29433,29573,45929,47271,47309
+[O:1]-[C:2]-[c:3]:1:[c:4]:[o:5]:[n:6]:[c:7]:1>>[O:1]=[C:2](-[c:3]:1:[c:4]:[o:5]:[n:6]:[c:7]:1)-[O:10]-[C:9]-[C:8]	9	12241,30847,34757,34759,34761,36756,51165,54637,55899
+[c:1]-[C:2](-[c:3])=[C:4](-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])=[O:7].[c:1]-[C:2](-[c:3])=[O:8]	9	12288,12289,12290,28664,28665,28666,28667,28668,49887
+[N:1]-[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[c:2](:[n:3]:[c:4]:[c:5])(:[c:6])-[F:7].[N:1]	9	12379,19455,19552,40748,40842,40870,40966,40983,40984
+[N:1]-[C:2]-[C:3]-[O:4]>>[C:2]-1-[C:3]-[O:4]-1.[N:1]	9	13303,24480,40660,40813,40828,40862,40881,40928,40949
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:7]:[n:6]):[c:8]>>[c:4](:[c:5])(:[c:7]:[n:6])-[Br:10].[n:1]:[c:2]:[c:3](:[c:8])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[C:9])(-[O:16]-1)-[C:18]	9	13575,15869,28479,28499,28512,29006,29007,29282,29284
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[c:3](:[c:4])(:[c:5])-[O:9]-[S:7](=[O:8])(-[C:10](-[F:11])(-[F:12])-[F:13])=[O:14]	9	13677,13678,14933,18709,19631,38287,38293,38295,38297
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:6].[N:4]-[O:5]	9	13919,26696,47021,47103,47128,47131,47158,47160,47542
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[C:5](-[c:6])(=[O:8])-[O:9].[c:1]-[C:2](=[N:3]-[O:4])-[N:7]	9	14474,26887,27298,38175,38176,39029,43502,51762,52039
+[N:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:[n:7]:1>>[c:2]:1(:[n:3]:[c:4]:[c:5]:[c:6]:[n:7]:1)-[Cl:8].[N:1]	9	14585,15499,19322,23024,25777,40803,40969,40982,41003
+[c:1]-[N:2]>>[c:1]-[N:2]=[N+:4]=[N-:3]	9	15147,38398,40075,47775,47884,47887,47889,47890,47892
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2]-[Cl:5].[C:3]#[N:4]	9	15273,16083,16376,17153,41041,41106,41113,41116,41176
+[C:1]=[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]=[C:2].[c:3](:[c:4])(:[c:5])-[I:6]	9	16580,25455,39532,46206,47351,48396,50331,51224,54938
+[c:1]:[c:2](-[C:3]-[Cl:4]):[c:5]>>[C:3]=[O:6].[c:1]:[c:2]:[c:5].[Cl:4]	9	16609,16618,16619,16657,16658,16659,16660,16661,16662
+[c:1]:1:[c:2](-[I:3]):[c:4]:[c:5]:[n:6]:[c:7]:1>>[c:1]:1:[c:2]:[c:4]:[c:5]:[n:6]:[c:7]:1.[I:3]-[I:8]	9	17386,17396,20709,20834,35884,35922,40495,40524,40533
+[c:1]:1:[c:2]:[n:3](-[S:4](=[O:5])(=[O:6])-[c:7]):[c:8]:[c:9]:1>>[c:1]:1:[c:2]:[n:3]:[c:8]:[c:9]:1.[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:10]	9	18097,27619,30621,31157,45488,45990,51803,53942,55698
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6](:[n:7]):[c:10]:1:[c:9]:[n:8]):[c:11]>>[c:3]:1(:[n:4]:[n:5]:[c:6](:[n:7]):[c:10]:1:[c:9]:[n:8])-[I:21].[c:1]:[c:2](:[c:11])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	9	18863,19740,22021,22022,22266,22267,27868,28460,29061
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:2>>[C:1]-[N:2]-[c:6]:1:[c:5](-[N:4]):[c:10]:[n:9]:[c:8]:[c:7]:1.[C:3](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19]	9	19144,23923,24972,30293,31031,31032,31057,31072,31077
+[n:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7](:[c:8]:[n:9]):[c:11]:1:[n:10]>>[n:1]:1:[n:2]:[c:3](:[c:7](:[c:8]:[n:9]):[c:11]:1:[n:10])-[I:12].[c:4](:[c:5])(:[c:6])-[B:14](-[O:13])-[O:15]	9	19933,21907,22023,22268,27869,27870,40633,40634,46503
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1>>[c:1]:1:[n:2]:[n:3](:[c:4]:[c:5]:1)-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	9	21428,21462,21463,24353,24355,24361,24366,24367,24368
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1>>[c:1]:[c:2]:1:[n:3](:[n:4]:[c:5]:[c:6]:1)-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	9	21440,21441,21446,21454,21471,21473,21484,21486,21490
+[C:1]=[C:2]-[C:3](-[O:4])=[C:5]-[C:6]>>[C:1]=[C:2]-[C:3](-[O:4]-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1)=[C:5]-[C:6]	9	23135,24769,52599,52600,52601,52602,52603,52604,54398
+[c:1]:[c:5](:[n+:4](:[c:3]:[c:2])-[O-:7]):[c:6]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2]):[c:6].[O:7]-[O:10]-[C:9](=[O:8])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15](-[Cl:16]):[c:17]:1	9	26891,30279,31217,36592,36617,36630,36636,36648,36718
+[c:1]-[C:2]-[N:3]=[N+:12]=[N-:11]>>[c:1]-[C:2]-[O:10].[N:3](=[N+:12]=[N-:11])-[P:14](-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1)(=[O:13])-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2	9	27787,36190,36346,38914,49911,50937,52034,52991,52995
+[c:1]:1:[n:2]:[n:3](-[c:4](:[c:5]):[c:6]):[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[n:3]:[c:7]:[c:8]:1.[c:4](:[c:5])(:[c:6])-[F:9]	9	29901,38650,38749,48084,48179,49100,51050,53552,56620
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1>>[c:1]-[C:2](-[C:6]=[C:5]-[N:8](-[C:7])-[C:9])=[O:10].[N:3]-[N:4]	9	32004,32005,32008,32010,32017,36163,42251,42253,42301
+[n:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1>>[n:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[C:8]-[O:7]-[C:6]-[C:13]-[Si:10](-[C:9])(-[C:11])-[C:12]	9	33956,33971,33972,34034,34060,34091,34096,34100,34102
+[S:1](=[O:2])(=[O:3])(-[c:4](:[c:5]):[c:6])-[Cl:7]>>[Cl:7].[c:4](:[c:5])(:[c:6])-[N:8].[S:1](=[O:2])=[O:3]	9	34773,34774,34775,34778,34780,34782,34783,34784,34785
+[O:1]=[C:2]=[N:3]-[c:4]>>[O:1]=[C:2](-[Cl:5])-[Cl:6].[N:3]-[c:4]	9	34944,34946,34947,34954,34957,34958,34961,34962,34964
+[N:1]-1-[C:2]-[C:3]-[c:4](:[c:5]):[c:7]-1:[c:6]>>[n:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[c:7]:1:[c:6]	9	38540,38703,39716,49920,49976,50175,50319,55705,55729
+[N:1]-[C:2]>>[N:1](-[C:2])(-[C:3]-[c:16]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[C:4]-[c:5]:2:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:2	9	52307,56292,56294,56295,56297,56298,56299,56302,56303
+[C:1](-[C:2]-[N:3](-[C:4](=[O:5])-[C:6])-[c:7])(-[O:8])=[O:9]>>[C:1](-[C:2]-[Br:10])(-[O:8])=[O:9].[N:3](-[C:4](=[O:5])-[C:6])-[c:7]	8	641,648,663,18132,18149,30657,30672,30681
+[c:1]-[C:2]-1(-[C:3]#[N:4])-[C:5]-[C:6]-1>>[C:5](-[C:6]-[Br:8])-[Br:7].[c:1]-[C:2]-[C:3]#[N:4]	8	730,740,747,755,763,767,769,771
+[c:1]:1:[c:2](:[c:3]):[n:4](-[C:5]-[C:6]):[c:7](:[c:8]:1):[c:9]>>[C:5](-[C:6])-[Br:10].[c:1]:1:[c:2](:[c:3]):[n:4]:[c:7](:[c:8]:1):[c:9]	8	739,814,26572,43644,43645,43653,45538,45539
+[c:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:4](-[C:5])-[Br:6].[c:1]-[N:2]-[C:3]	8	793,4109,4832,5200,5584,5749,10763,29816
+[c:1]:1:[n:2]:[c:3](-[n:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:2):[n:9]:[c:10]:[c:11]:1>>[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1.[c:1]:1:[n:2]:[c:3](:[n:9]:[c:10]:[c:11]:1)-[Cl:12]	8	1032,1037,37013,38678,39558,40590,41559,55009
+[C:1]-[C:2](-[C:3])(-[O:4])-[c:5](:[c:6]):[n:9]:[c:8]:[c:7]>>[c:5](:[c:6])(:[n:9]:[c:8]:[c:7])-[Br:10].[C:1]-[C:2](-[C:3])=[O:4]	8	1119,2226,10161,22512,26328,33941,36865,43827
+[C:1](=[O:2])(-[C:3])-[O:4]-[C:5]-[C:6]>>[C:1](=[O:2])(-[C:3])-[O:4].[C:5](-[C:6])-[I:7]	8	1135,2499,4044,6302,11463,17225,20768,30100
+[n:1]:[c:2]:[c:3](-[C:4]-1-[C:5]-[C:6]-1):[c:7]>>[n:1]:[c:2]:[c:3](:[c:7])-[Br:8].[C:4]-1(-[C:5]-[C:6]-1)-[B:10](-[O:9])-[O:11]	8	1157,10929,19007,25294,46363,46367,46368,46383
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5](-[N:6]-[C:7]):[n:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5](:[n:8]:1)-[Br:9].[N:6]-[C:7]	8	1203,6491,10220,22011,25884,27019,48507,51252
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]#[N:6]):[c:7]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[Br:8].[C-:5](#[N:6])~[Cu+:9]	8	1217,11311,35964,44762,47520,47527,47528,47532
+[C:1]#[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:8].[C:1]#[C:2]	8	1229,22965,24165,46031,50354,51477,51480,54669
+[O:1]=[C:2](-[c:3])-[O:4]>>[C:2](-[c:3])#[N:7].[O:1]=[C:6](-[O:4])-[C:5]	8	1521,27684,44118,44140,44141,44151,44155,44156
+[C:1](-[N:2]-[c:3](:[c:4]):[c:5])-[C:6](=[O:7])-[O:8]>>[c:3](:[c:4])(:[c:5])-[F:9].[C:1](-[N:2])-[C:6](=[O:7])-[O:8]	8	1528,18280,21625,30754,30755,30759,46814,46815
+[C:1](-[N:2]-[C:3](=[O:4])-[c:5])-[C:6](=[O:7])-[O:8]>>[C:1](-[N:2])-[C:6](=[O:7])-[O:8].[C:3](=[O:4])(-[c:5])-[Cl:9]	8	1542,17457,38976,41991,42000,44053,49615,50509
+[C:1]=[C:2]-[C:3]-[O:4]-[Si:5](-[C:6])(-[C:7])-[C:8]>>[Si:5](-[C:6])(-[C:7])(-[C:8])-[Cl:9].[C:1]=[C:2]-[C:3]-[O:4]	8	1543,12358,16454,17807,24496,24510,24554,24649
+[N:1]-[C:2](=[O:3])-[C:4]-[O:5]>>[N:1]-[C:2](=[O:3])-[C:4]-[O:5]-[C:7](-[C:6])=[O:8]	8	1625,4123,7779,26200,27844,50756,54692,57116
+[c:1](-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1):[c:9]:[n:10]>>[c:1](-[N:2]):[c:9]:[n:10].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:11]	8	1628,18661,22736,33934,38459,43542,45394,48717
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[O:1]-[C:2](=[O:3])-[Cl:8].[N:4]-[c:5]:[c:7]:[n:6]	8	1806,30789,42535,42742,48707,48712,48715,50136
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])-[Br:7].[c:1]-[O:2]	8	2171,2172,34359,36730,44667,48411,49611,54573
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[C:8])-[Cl:9]	8	2300,2451,6778,6869,7458,31262,48486,50742
+[C:1]-[n:2]:1:[c:3](-[C:4]):[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:3](-[C:4])(=[O:10])-[O:11].[C:1]-[N:2]-[c:7](:[c:6](-[N:5]):[c:9]):[c:8]	8	2484,2488,7521,9362,15423,15428,17223,44150
+[n:1]:[c:2](-[C:3](=[O:5])-[Cl:6]):[c:4]>>[Cl:6]-[C:9](-[C:7](-[Cl:8])=[O:12])=[O:10].[n:1]:[c:2](-[C:3](=[O:5])-[O:11]):[c:4]	8	2584,2635,2645,2648,2684,2724,2753,2758
+[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[C:6]>>[n:1]:[c:3](:[c:2])-[C:4](-[O:5])-[C:6]	8	2809,24471,27426,34065,48963,50350,52978,53033
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:5].[O:3]-[N:7]=[O:6]	8	2836,28720,37973,40067,42412,47227,47230,47246
+[C:1]-[C:2](-[C:3])(-[C:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:8].[c:5](:[c:6]):[c:7]	8	2869,7969,7971,7972,8891,12060,17937,25880
+[c:1]:[c:2](-[C:3](=[N:4])-[N:5]-[O:6]):[n:7]>>[c:1]:[c:2](-[C:3]#[N:4]):[n:7].[N:5]-[O:6]	8	3082,11391,32516,34606,36234,38714,47022,47039
+[C:1]-[N:2](-[C:3])-[c:4]:1:[c:5]:[c:6]:[n:7]:[n:8]:1>>[c:4]:1(:[c:5]:[c:6]:[n:7]:[n:8]:1)-[Cl:9].[C:1]-[N:2]-[C:3]	8	3096,5302,7938,14689,19466,32610,37251,41687
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[n:6]):[o:7]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[n:6]):[o:7])-[Cl:8]	8	3150,4524,13750,13751,15562,15683,15747,32692
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]#[C:6]-[Si:9](-[C:8])(-[C:10])-[C:11]):[c:7]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[Br:12].[C:5]#[C:6]-[Si:9](-[C:8])(-[C:10])-[C:11]	8	3315,10957,12870,23251,24477,26084,33674,33692
+[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1-[C:7]-[c:8]>>[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1.[C:7](-[c:8])-[Cl:9]	8	3368,4721,11320,25643,48923,49943,50752,51319
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[C:1]-[C:2](-[N:3])=[S:7].[C:4](-[c:5])(-[C:6]-[Br:9])=[O:8]	8	3422,5194,7500,31949,39712,41295,41995,51957
+[C:1]-[C:2](-[C:3]=[C:4]-[c:5])=[O:6]>>[C:1]-[C:2](-[C:3])=[O:6].[C:4](-[c:5])=[O:7]	8	3672,17213,26295,26312,26313,37187,51971,54552
+[C:1]-[S:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:5].[C:1]-[S:2]	8	3901,4127,4129,5161,5163,33477,36487,44297
+[O:1]=[C:2]-[N:5](-[C:3]=[O:4])-[C:6]-[C:7]>>[C:6](-[C:7])-[Br:8].[O:1]=[C:2]-[N:5]-[C:3]=[O:4]	8	4102,4117,51099,51416,51982,53150,54258,55786
+[C:1]-[C:2]-[O:3]-[C:4]>>[O:3]-[C:4].[C:1]-[C:2]-[O:9]-[S:6](-[C:5])(=[O:7])=[O:8]	8	4247,7997,19178,22189,24845,32470,45858,45871
+[c:1]:1:[c:2](-[C:3]=[O:4]):[s:5]:[c:6]:[c:7]:1>>[c:1]:1:[c:2]:[s:5]:[c:6]:[c:7]:1.[C:3](=[O:4])-[N:9](-[C:8])-[C:10]	8	4268,4299,14497,25126,29878,32069,32210,32224
+[C:1]-[C:2](=[O:3])-[C:4]-[Cl:5]>>[C:1]-[C:2](=[O:3])-[C:4].[Cl:5]-[S:7](=[O:6])(=[O:8])-[Cl:9]	8	4644,12530,26824,43343,43344,44216,44218,44220
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:9]:[c:11]:[n:10]>>[N:8]-[c:9]:[c:11]:[n:10].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:19]-[C:17](-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15])=[O:18]	8	4737,20950,21038,21091,21093,21094,21099,21306
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[Cl:8].[c:1]-[N:2]	8	4793,4794,6116,6611,38523,40094,50396,54870
+[c:1]:[c:2](-[S:3]-[C:4]):[c:5]>>[S:3]-[C:4].[c:1]:[c:2](:[c:5])-[Cl:6]	8	4886,5332,12863,21839,26864,27452,36040,52281
+[c:1](:[c:2]):[n:9]:1:[c:4](:[c:3]):[n:5]:[c:6]:[c:7]:1-[Br:8]>>[c:1](:[c:2]):[n:9]:1:[c:4](:[c:3]):[n:5]:[c:6]:[c:7]:1.[Br:8]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15]	8	4926,8305,8376,8626,8642,8689,8752,8753
+[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](-[N:7]-[C:8]):[n:9]:1):[n:5]>>[N:7]-[C:8].[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](:[n:9]:1)-[Cl:10]):[n:5]	8	4960,11031,12169,15447,22649,32329,46107,53650
+[c:1]:[c:2]:1:[c:3](:[c:4](-[C:5](=[O:6])-[O:7]):[c:8]:[n:9]:[c:10]:1:[c:11])-[O:12]>>[C:3](-[C:4](-[C:5](=[O:6])-[O:7])=[C:8]-[O:16]-[C:15]-[C:14])(=[O:12])-[O:17]-[C:18]-[C:13].[c:1]:[c:2]:[c:10](-[N:9]):[c:11]	8	5393,5401,5402,5406,5407,5408,5411,5414
+[c:1]-[C:2]-[C:3](=[O:4])-[O:5]>>[c:1]-[C:2](-[C:3](=[O:4])-[O:5])-[C:9](-[O:8]-[C:7]-[C:6])=[O:10]	8	5418,5898,10938,43022,43023,43024,43348,56072
+[c:1]:[c:2]:1:[n:3]:[c:4](-[N:5]-[C:11](-[O:10])=[O:12]):[n:6]:[n:7]:1:[c:8]:[c:9]>>[c:1]:[c:2](-[N:3]-[C:4](-[N:5]-[C:11](-[O:10])=[O:12])=[S:13]):[n:7]:[c:8]:[c:9].[N:6]-[O:14]	8	5441,5442,11325,24131,30823,30824,30825,47097
+[C:1](-[C:2])(=[O:3])-[N:5](-[O:4])-[C:6]>>[C:1](-[C:2])(=[O:3])-[O:9]-[C:8]-[C:7].[O:4]-[N:5]-[C:6]	8	5469,10209,21883,21886,22632,26183,41516,41541
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[N:9]):[c:10]:1-[C:11](=[O:12])-[O:13]>>[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8]#[N:9].[C:1]-[C:2](-[C:10]-[C:11](=[O:12])-[O:13])=[O:14]	8	5480,5481,5482,5483,5485,5486,5489,5521
+[C:1](-[c:2])(-[C:3]-[C:4](=[O:5])-[O:6])=[O:7]>>[C:3](-[C:4](=[O:5])-[O:6])-[C:9](=[O:8])-[O:10].[C:1](-[c:2])(=[O:7])-[O:11]	8	5533,5534,5535,5536,5537,5538,5539,5542
+[c:1]:[c:2](-[O:3]-[C:4]):[c:5]:[n:6]>>[O:3]-[C:4].[c:1]:[c:2](:[c:5]:[n:6])-[O:7]	8	5566,10103,19172,20535,22619,34758,34760,39990
+[n:1]:[c:2](-[N:3]):[n:4]>>[n:1]:[c:2](-[N:3]-[C:8](-[O:7]-[C:6]-[C:5])=[O:9]):[n:4]	8	5662,5663,11326,24090,54646,57342,57343,57344
+[c:1]:[c:2](-[C:3]-[O:5]-[C:7](-[C:6])=[O:8]):[n+:4]>>[c:1]:[c:2](-[C:3]):[n+:4].[O:5](-[C:7](-[C:6])=[O:8])-[C:10](-[C:9])=[O:11]	8	5809,6044,16843,16887,16888,16917,16931,16949
+[c:1]:1:[n:2]:[c:3]:[c:4](-[Br:5]):[n:6]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:6]:1.[Br:5]-[N:7]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	8	6447,8357,8442,8453,8489,8681,8717,8751
+[C:1](=[S:2])=[N:3]-[C:4]>>[N:3]-[C:4].[C:1](=[S:2])=[S:5]	8	6534,7001,9975,13233,14120,47441,47445,47446
+[c:1]:1:[c:2]:[c:3](-[Br:4]):[c:5]:[n:6]:1>>[Br:4]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1]:1:[c:2]:[c:3]:[c:5]:[n:6]:1	8	6657,8209,8211,8215,8433,8437,8677,8746
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]-[C:6]#[N:7]>>[C:1]-[N:2]-[C:3].[C:4]=[C:5]-[C:6]#[N:7]	8	7134,8959,13837,13863,15181,24664,41246,41251
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[C:6])-[c:7]>>[N:3](-[C:4](=[O:5])-[C:6])-[c:7].[C:1]-[C:2]-[Br:8]	8	7154,10767,15412,19022,26677,26678,29815,50001
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[C:3](=[C:4]-[C:5])(-[C:6])-[B:10](-[O:9])-[O:11]	8	7429,7432,27659,28737,28738,44044,46294,46385
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:9]-[C:8]=[C:7]>>[N:5](-[C:6])-[C:9]-[C:8]=[C:7].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:10]	8	7528,11245,13614,13615,45023,45336,45365,45431
+[C:1]-[S:2](=[O:3])(=[O:4])-[C:5]>>[C:1]-[S:2]-[C:5].[O:3]=[S:7](-[O:6])-[O:8]-[O:4]	8	7606,10317,16007,17493,38387,43079,47398,47404
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[Cl:4]	8	7680,21772,32455,45948,46150,51750,54546,56922
+[C:1]-[N:2]-[C:3]-1=[C:4](-[N:5])-[C:6](=[O:7])-[C:8]-1=[O:9]>>[C:1]-[N:2].[C:3]-1(=[C:4](-[N:5])-[C:6](=[O:7])-[C:8]-1=[O:9])-[O:12]-[C:11]-[C:10]	8	7730,7731,7733,16447,17771,17841,29723,55295
+[O:1]=[C:2](-[O:3])-[C:4](=[O:5])-[N:6]-[c:7]>>[N:6]-[c:7].[O:1]=[C:2](-[O:3])-[C:4](=[O:5])-[Cl:8]	8	8010,23788,23956,37855,38853,42387,44273,44274
+[c:1]:1(:[n:2]:[c:3](:[c:4]):[c:5]:[n:6]:1)-[Br:7]>>[c:1]:1:[n:2]:[c:3](:[c:4]):[c:5]:[n:6]:1.[Br:7]-[N:12]-1-[C:10](-[C:9]-[C:8]-[C:14]-1=[O:13])=[O:11]	8	8082,8091,8092,8093,8094,8095,8191,8517
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]-[C:6]-[C:7](=[O:8])-[O:9]>>[C:3]-1(=[O:4])-[C:5]-[C:6]-[C:7](=[O:8])-[O:9]-1.[C:1]-[O:2]	8	8786,8787,8789,8792,8793,8796,8800,8801
+[c:1]-[C:2]-1=[C:3](-[O:4])-[C:5]-[N:6]-[C:7]-1=[O:8]>>[c:1]-[C:2]-[C:7](-[N:6]-[C:5]-[C:3](=[O:4])-[O:10]-[C:9])=[O:8]	8	8864,10035,10036,11277,12314,37683,43812,50421
+[n:1]:[c:2]:[c:3](:[c:4]:[n:5])-[N:6](-[C:7])-[C:8](=[O:9])-[C:10]>>[n:1]:[c:2]:[c:3](:[c:4]:[n:5])-[N:6]-[C:8](=[O:9])-[C:10].[C:7]-[I:11]	8	9060,10558,12203,12206,31462,31463,31486,31831
+[N:1]-[c:2](:[n:3]):[s:4]>>[N:1](-[c:2](:[n:3]):[s:4])-[C:6]=[O:5]	8	9094,26827,27283,41465,41466,41467,41468,41469
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:4]=[C:3]	8	9377,11371,14265,40287,50639,51062,51070,55389
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]-[N:2].[C:3]=[O:5].[C:4]-[O:6]	8	9472,9542,16595,16612,16626,16640,16648,16653
+[c:1]:1:[n:2]:[n:3]:[c:4](:[c:5]:1):[n:6]>>[c:1]:1:[n:2]:[n:3](:[c:4](:[c:5]:1):[n:6])-[C:10]-2-[C:9]-[C:8]-[C:7]-[C:12]-[O:11]-2	8	9582,13554,15876,35986,45942,53306,54853,55929
+[O:1]=[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[O:1]=[C:2]-[O:6]	8	9720,14874,14978,27095,30000,46891,46897,46909
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2]#[N:3].[O:4]-[S:6](=[O:5])(=[O:7])-[O:8]	8	9894,10506,45791,45805,45806,45809,45816,45818
+[N:1](-[C:2])-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[c:8]):[n:10]:1:[n:9]>>[N:1]-[C:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[c:8]):[n:10]:1:[n:9])-[Cl:11]	8	10218,11036,15450,19065,21409,29937,34446,36422
+[O:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[n:7]):[c:8]>>[C:4](=[O:5])(-[c:6](:[n:7]):[c:8])-[O:9].[O:1]-[N:2]-[C:3]	8	10272,30292,36228,41517,41524,41528,41534,52462
+[C:1](-[N:2]-[C:3](=[O:4])-[c:5])-[C:6](=[O:7])-[N:8]>>[C:3](=[O:4])(-[c:5])-[O:9].[C:1](-[N:2])-[C:6](=[O:7])-[N:8]	8	10405,12375,14204,14205,26994,37641,41312,46809
+[O:1]=[C:2](-[N:3]-[C:4]-[C:5](=[O:6])-[O:7])-[c:8](:[n:9]):[c:10]>>[N:3]-[C:4]-[C:5](=[O:6])-[O:7].[O:1]=[C:2](-[c:8](:[n:9]):[c:10])-[O:11]	8	10449,10928,18287,26398,30760,36486,44069,44073
+[c:1]:[c:2](-[c:3](:[c:4]):[c:7](:[n:5]):[c:6]):[c:8]>>[c:3](:[c:4])(:[c:7](:[n:5]):[c:6])-[Br:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	8	10644,46449,46556,46714,46716,47816,49340,50197
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:1)-[Br:9].[C:1]-[O:2]	8	10825,11965,12004,12005,12006,32992,33087,33184
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:3](=[O:4])(-[O:5])-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10](-[N+:8](=[O:7])-[O-:9]):[c:16]:[c:15]:1.[C:1]-[N:2]-[C:6]	8	10920,14821,15114,15129,15737,27051,37467,51579
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:7](-[O:6])-[C:8]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:9].[O:6]-[N:7]-[C:8]	8	11200,12512,22940,38660,41495,41502,41507,41529
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[I:6].[C:3]#[N:4]	8	11290,17314,41017,41088,41091,41120,41155,41180
+[c:1](:[c:2]-[C:3]#[N:4]):[n:5]>>[c:1](:[c:2]-[C:3](-[N:4])=[O:6]):[n:5]	8	11343,27831,34013,35863,39828,45699,49981,55628
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1>>[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1.[C:4]=[O:10].[C:1]-[N:2]-[C:3]	8	11588,12674,15530,16631,16633,16634,16672,16722
+[c:1]:1:[n:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:1>>[c:1]:1:[n:2]:[n:3]:[c:4](:[c:8]:1)-[I:18].[c:5](:[c:6])(:[c:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	8	11695,12908,13254,27885,28361,29014,29237,29238
+[n:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1>>[n:1]:[c:2]:1:[n:3](:[c:4]:[c:5]:[c:6]:1)-[S:8](=[O:7])(=[O:9])-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2	8	12101,18916,40281,46183,53037,53042,57013,57014
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:8]:[n:7]>>[C:1]-[C:2](=[O:3])-[O:9].[N:4]-[c:5](:[n:6]):[c:8]:[n:7]	8	12132,29368,29369,29693,39713,39727,46053,53734
+[N:1]-1-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]:[c:7]-1>>[N:1]-[c:7]:[c:6]-[N:4]-[C:5].[C:2](=[O:3])(-[n:8]:1:[c:14]:[n:15]:[c:16]:[c:17]:1)-[n:9]:2:[c:10]:[c:11]:[n:12]:[c:13]:2	8	12835,13550,13560,22699,38769,38881,41560,51564
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](=[O:6])-[N:7](-[C:8])-[C:9]):[c:10]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](=[O:6])-[O:11]):[c:10]:1.[N:7](-[C:8])-[C:9]	8	12883,13026,13794,15767,15987,16012,16206,38396
+[N:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9].[N:1]-[N:2]	8	13006,18435,36298,39887,42182,42314,42321,42322
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]-[N:2]-[C:4].[C:3]-[I:5]	8	13832,13912,14974,31480,31704,31776,31790,31835
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[N:7]-[c:8]):[n:9]:1-[C:10]>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N:9]-[C:10].[C:6](=[N:7]-[c:8])=[S:11]	8	14028,17370,17375,20513,23993,27130,37677,37761
+[c:1]-[C:2](-[C:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[N:9](-[O:8]-[C:7])-[C:10].[C:3]-[Mg:6]-[Br:5]	8	14193,25417,33523,35930,35950,38961,47559,47564
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5](-[S:6]):[c:7]:1:[c:8]>>[c:1]:[c:2](-[N:3]):[c:7](-[C:5]-[S:6]):[c:8].[N:4](=[O:9])-[O:10]	8	14242,14256,35048,45970,46161,47228,47235,47247
+[c:1](:[n:2]):[c:4](:[c:3])-[N+:5](=[O:6])-[O-:7]>>[c:1](:[n:2]):[c:4]:[c:3].[N+:5](-[O:6])(-[O-:7])=[O:8]	8	14522,33345,42798,47613,47625,47742,47762,47763
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6]:[c:8]:[n:7])-[C:9]>>[C:1]-[N:2]-[C:9].[S:3](=[O:4])(=[O:5])(-[c:6]:[c:8]:[n:7])-[Cl:10]	8	14558,26646,32597,32598,38118,45508,46131,46132
+[c:1]-[C:2]-[C:3](-[C:4])-[C:5]>>[c:1]-[C:2]=[C:3](-[C:4])-[C:5]	8	14632,15342,15398,25586,26180,30748,43821,43822
+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8]:[n:9]:1>>[c:4](:[c:5]:[n:6])(:[c:7])-[Br:10].[n:1]:1:[c:2]:[c:3](:[c:8]:[n:9]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19]	8	15946,28490,28491,28514,28523,28528,28529,28943
+[c:1]:[c:2](-[Cl:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:5].[Cl:3]-[Cu:6]	8	17115,37729,40021,40303,42621,46000,47540,47541
+[c:1](:[n:2]):[c:4](:[c:3])-[C:5]=[O:6]>>[c:1](:[n:2]):[c:4]:[c:3].[C:5](=[O:6])-[N:8](-[C:7])-[C:9]	8	17388,17395,20808,20856,24120,25175,32055,32115
+[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](:[n:7]:1)-[Cl:8]):[n:5]>>[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](:[n:7]:1)-[O:13]):[n:5].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	8	17410,34460,35232,35340,35346,35356,35439,35477
+[c:1]-[C:2](-[C:3])(-[C:4])-[O:5]>>[c:1]-[C:2](-[C:3])=[O:5].[C:4]-[Mg:7]-[Br:6]	8	17618,27592,33486,36198,42722,47560,47576,47581
+[c:1]-[N:2]=[C:3]=[S:4]>>[c:1]-[N:2].[C:3](=[S:4])(-[n:7]:1:[c:6]:[c:5]:[n:14]:[c:13]:1)-[n:8]:2:[c:9]:[c:10]:[n:11]:[c:12]:2	8	18498,29541,42657,42737,50534,51779,54914,55211
+[c:1]:[c:2](-[C:3](-[O:4])(-[C:5])-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Mg:9]-[Br:8].[C:3](=[O:4])(-[C:5])-[C:6]	8	18884,22532,27456,33342,43832,45647,45648,56498
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[o:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[o:7])-[O:8].[C:1]-[N:2]	8	19339,41785,41896,41897,41899,41901,41924,41925
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[o:7]:1>>[C:1]-[C:2](-[N:3]-[N:4]-[C:5](-[C:6])=[O:8])=[O:7]	8	20441,20442,22545,22558,23765,39499,52976,56157
+[C:1]-[C:2](-[N:3]-[N:4]-[C:5](-[C:6])=[O:8])=[O:7]>>[C:5](-[C:6])(=[O:8])-[O:9].[C:1]-[C:2](-[N:3]-[N:4])=[O:7]	8	20445,20447,22563,23763,26641,39500,42339,46137
+[c:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[O:2].[C:3](=[O:4])(-[c:5])-[Cl:6]	8	21407,28894,46292,49318,49551,52658,55051,56043
+[O:1]-[C:2](=[O:3])-[C:4]-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[O:1]-[C:2](=[O:3])-[C:4]-[O:5].[C:6](-[C:7])(-[C:8])(-[C:9])-[O:13]-[C:11](-[C:10])=[O:12]	8	21555,21556,21557,21558,21560,21561,21562,21563
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:4](-[C:3])(-[C:5])-[C:6]	8	21567,21599,24370,24381,24382,24384,24385,24387
+[n:1]:[c:2]:[c:3](-[C:4]#[C:5]-[Si:8](-[C:7])(-[C:9])-[C:10]):[c:6]>>[n:1]:[c:2]:[c:3](:[c:6])-[I:11].[C:4]#[C:5]-[Si:8](-[C:7])(-[C:9])-[C:10]	8	22967,33672,33675,33676,33686,33695,33700,33720
+[c:1]:1:[c:2](-[C:3]-[O:7]):[c:4]:[n:5]:[o:6]:1>>[c:1]:1:[c:2](-[C:3](-[O:7])=[O:8]):[c:4]:[n:5]:[o:6]:1	8	24383,27579,36523,36769,38170,48397,50515,57155
+[C:1](=[O:2])=[N:3]-[c:4]>>[N:3]-[c:4].[C:1](=[O:2])(-[O:9]-[C:6](-[Cl:5])(-[Cl:7])-[Cl:8])-[Cl:10]	8	26095,29394,29395,34868,34869,34871,34873,34874
+[n:1]:[c:2]:[c:3]-[C:4]-[Cl:5]>>[n:1]:[c:2]:[c:3]-[C:4]-[O:6].[Cl:5]-[C:8]-[Cl:7]	8	26719,27584,35068,35077,35092,35093,35097,35127
+[c:1]:[c:2](-[C:3]=[C:4]-[C:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[I:7].[C:3]=[C:4]-[C:5]	8	26998,34425,36764,36765,39295,41249,50661,53102
+[c:1]:1:[c:2]:[n:3]:[c:4](:[n:5]:[c:6]:1:[c:7])-[Cl:8]>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:5]:[c:6]:1:[c:7])-[O:13].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	8	27656,35189,35193,35253,35369,35395,35469,35483
+[c:1]-[N:2]-[C:3](-[C:4]=[N:7]-[O:6])=[O:5]>>[c:1]-[N:2].[C:3](-[C:4](-[O:5])-[O:8])(-[Cl:9])(-[Cl:10])-[Cl:11].[O:6]-[N:7]	8	27773,34842,34843,34844,34845,34846,34847,34848
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[B:11]-1-[O:10]-[C:8](-[C:7])(-[C:9])-[C:13](-[O:12]-1)(-[C:14])-[C:15].[c:3](:[c:4])(:[c:5])-[O:19]-[S:17](=[O:16])(=[O:18])-[C:20](-[F:21])(-[F:22])-[F:23]	8	28387,28423,28428,28429,29075,29162,29178,29179
+[O:1]-[B:2]-[O:3]>>[O:1]-1-[B:2]-[O:3]-[C:7](-[C:5]-1(-[C:4])-[C:6])(-[C:8])-[C:9]	8	28447,28463,29015,29034,29039,29151,29155,29157
+[C:1]-[C:2](-[c:3])=[C:4](-[c:5])-[c:6]>>[C:1]-[C:2](-[c:3])=[O:8].[C:4](-[c:5])(-[c:6])=[O:7]	8	29779,29781,29785,32404,48580,53577,53848,55039
+[C:1]-1-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[c:8]-1:[c:7]>>[O:3]-[C:10]-[C:9].[c:1]:1:[c:2]:[n:4]:[c:5](:[c:6]):[c:8]:1:[c:7]	8	30311,30428,30443,30447,30468,30479,30492,30501
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:1.[C:1]-[C:2](=[O:3])-[Cl:9]	8	31158,34603,34604,34825,34826,34828,34829,34832
+[O:1]=[C:2]-[c:3]>>[O:1](-[C:2](-[c:3])-[O:5]-[C:4])-[C:6]	8	33234,38748,43215,43216,53212,53834,55050,56017
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[O:6]):[n:7]:[n:8]:[c:9]:1-[c:10]>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5](=[O:6])-[O:12])-[C:9](-[c:10])=[O:11].[N:7]-[N:8]	8	33472,42150,42162,42193,42197,42238,42260,42264
+[c:1]:[c:2](-[S:3](-[C:4])=[O:5]):[n:6]>>[c:1]:[c:2](-[S:3]-[C:4]):[n:6].[O:5]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1	8	33632,34442,36533,36541,36573,36633,36649,36664
+[n:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1:[n:7]>>[n:1]:[c:2]:1:[n:3](:[c:4]:[c:5]:[c:6]:1:[n:7])-[C:15]-[O:14]-[C:13]-[C:12]-[Si:9](-[C:8])(-[C:10])-[C:11]	8	33977,34005,34030,34031,34032,34045,34046,34048
+[c:1]:[c:2](-[I:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[Si:6](-[C:5])(-[C:7])-[C:8].[I:3]-[Cl:9]	8	34211,34212,34219,34220,34225,34226,34231,34234
+[N:1](-[O:2])-[C:3]-[c:4]>>[N:1](-[O:2])=[C:3]-[c:4]	8	34338,34548,39352,41420,54106,54107,55139,55319
+[O:1]-[P:2](=[O:3])(-[C:4]-[c:5])-[O:6]>>[C:4](-[c:5])-[Cl:8].[O:1]-[P:2](-[O:3]-[C:7]-[C:9])-[O:6]	8	34421,38423,38492,39199,43455,43457,43461,43464
+[c:1]-[N:2](-[C:3]=[O:4])-[C:7](-[N:6]-[c:5])=[O:8]>>[C:7](=[O:8])(-[O:13]-[C:10](-[Cl:9])(-[Cl:11])-[Cl:12])-[O:14]-[C:15](-[Cl:16])(-[Cl:17])-[Cl:18].[c:1]-[N:2]-[C:3]=[O:4].[c:5]-[N:6]	8	34886,34887,34901,34902,34903,34904,34915,34917
+[O:1]=[S:2](=[O:3])(-[O:4]-[c:5](:[c:6]):[n:7])-[C:8](-[F:9])(-[F:10])-[F:11]>>[O:1]=[S:2](=[O:3])(-[C:8](-[F:9])(-[F:10])-[F:11])-[O:15]-[S:13](=[O:12])(=[O:14])-[C:16](-[F:17])(-[F:18])-[F:19].[O:4]-[c:5](:[c:6]):[n:7]	8	38230,38234,38239,38240,38243,38244,38245,38253
+[s:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[N:6]-[c:7]):[c:8]>>[N:6]-[c:7].[s:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[Cl:9]):[c:8]	8	42584,45511,45512,45514,45515,45516,46242,46243
+[C:1]-[C:2]-[Br:3]>>[Br:3].[C:1]-[C:2]-[O:4]	7	5,7,44,55,108,117,118
+[c:1]:[c:2]:1:[n:3]:[c:4](-[Br:5]):[n:6]:[c:7]:1>>[Br:5]-[Br:8].[c:1]:[c:2]:1:[n:3]:[c:4]:[n:6]:[c:7]:1	7	126,140,286,301,410,448,449
+[c:1]:1:[n:2]:[c:3]:[c:4](-[Br:5]):[s:6]:1>>[Br:5]-[Br:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[s:6]:1	7	136,201,221,265,281,311,393
+[c:1]:[c:2](-[Br:3]):[c:4]:[c:5]:[n:6]>>[Br:3]-[Br:7].[c:1]:[c:2]:[c:4]:[c:5]:[n:6]	7	170,171,231,300,303,338,351
+[c:1](:[n:2]:[c:3](:[c:4])-[Br:6]):[c:5]>>[Br:6]-[Br:7].[c:1](:[n:2]:[c:3]:[c:4]):[c:5]	7	218,225,242,363,368,369,462
+[c:1]:1:[c:2]:[s:3]:[c:4](-[Br:5]):[c:6]:1>>[Br:5]-[Br:7].[c:1]:1:[c:2]:[s:3]:[c:4]:[c:6]:1	7	240,247,329,346,371,420,436
+[C:1](-[C:2])(-[C:3]=[N:4])-[Br:5]>>[Br:5]-[Br:6].[C:1](-[C:2])-[C:3]=[N:4]	7	299,374,375,412,413,443,444
+[C:1]=[N:2]-[O:3]-[C:4]-[C:5]>>[C:4](-[C:5])-[Br:6].[C:1]=[N:2]-[O:3]	7	742,765,2104,4825,5176,26566,43485
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[c:2](:[n:6]:[c:7]:[c:8]:1)-[Br:9].[c:3](:[c:4])(:[c:5])-[B:11](-[O:10])-[O:12]	7	1033,11188,12632,21833,21834,31094,46244
+[c:1]:1:[c:2]:[n:3](:[c:4]:[n:5]:1)-[C:7]-[O:6]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1.[O:6]-[C:7]-[Cl:8]	7	1036,18842,19794,33897,33898,33909,33911
+[c:1]:[c:2](-[c:3]:1:[c:4]:[s:5]:[c:6]:[c:7]:1):[c:8]>>[c:3]:1(:[c:4]:[s:5]:[c:6]:[c:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	7	1043,2903,36525,44616,45709,45713,46447
+[C:1](=[O:2])-[O:3]-[C:5](-[C:4])(-[C:6])-[C:7]>>[C:1](=[O:2])-[O:3].[C:4]-[C:5](-[C:6])(-[C:7])-[O:16]-[C:14](-[O:13]-[C:11](-[O:10]-[C:18](-[C:8])(-[C:9])-[C:17])=[O:12])=[O:15]	7	1072,6575,20963,21043,21073,21202,21294
+[c:1](:[n:2]):[c:4](:[c:3])-[C:5](=[C:6]-[C:7])-[C:8]>>[c:1](:[n:2]):[c:4](:[c:3])-[Br:11].[C:5](=[C:6]-[C:7])(-[C:8])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[C:9])(-[C:10])-[O:17]-1	7	1156,28286,28292,28295,28923,28932,28933
+[c:1]:[c:2](-[C:3](=[O:4])-[Cl:6]):[n:5]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:10]):[n:5].[Cl:6]-[S:8](=[O:7])-[Cl:9]	7	1506,35635,35711,35728,35791,35793,35837
+[c:1]:[c:2](:[c:3])-[Br:4]>>[c:1]:[c:2](:[c:3])-[N:5].[Br:4]-[Cu:6]	7	1510,1529,5002,27770,40145,47538,47539
+[N:1]-[C:2](=[O:3])-[c:4]>>[N:1]#[C:2]-[c:4].[O:3]	7	1518,3808,19941,42510,42965,42997,43000
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[O:6]>>[C:1]-[C:2](=[O:3])-[Cl:7].[N:4](-[C:5])-[O:6]	7	1615,1707,2289,6236,34407,41518,43964
+[C:1](-[C:2]=[C:3]-[c:4])(=[O:5])-[O:6]>>[C:1](-[C:2]-[C:8](=[O:7])-[O:9])(=[O:5])-[O:6].[C:3](-[c:4])=[O:10]	7	1759,1760,1761,1767,1768,1771,1774
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[Cl:6]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:10].[Cl:6]-[S:8](=[O:7])-[Cl:9]	7	1926,35547,35574,35600,35607,35664,35681
+[N:1]-[C:6](-[N:3](-[C:2])-[C:4]-[c:5])=[O:7]>>[C:4](-[c:5])-[Br:8].[N:1]-[C:6](-[N:3]-[C:2])=[O:7]	7	2152,6525,30840,30842,30843,48353,52868
+[c:1]-[O:2]-[C:3]-[C:4](-[C:5])=[O:6]>>[C:3](-[C:4](-[C:5])=[O:6])-[Cl:7].[c:1]-[O:2]	7	2233,2236,2244,2245,2248,2249,2250
+[O:1]=[C:2]-1-[C:3]-[C:4](-[C:5])=[N:6]-[c:7]:2:[c:8]:[c:9]:[n:10]:[n:11]-1:2>>[O:1]=[C:2](-[C:3]-[C:4](-[C:5])=[O:15])-[O:14]-[C:13]-[C:12].[N:6]-[c:7]:1:[c:8]:[c:9]:[n:10]:[n:11]:1	7	2263,5491,5495,5514,9302,22106,42779
+[C:1](-[N:2]-[N:3]-[C:4](-[C:5])=[O:7])=[O:6]>>[C:4](-[C:5])(=[O:7])-[Cl:8].[C:1](-[N:2]-[N:3])=[O:6]	7	2362,2363,2424,2436,7517,17638,43963
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[s:7]:1>>[C:1]-[C:2](=[O:8])-[O:9].[N:3]-[N:4]-[C:5](-[N:6])=[S:7]	7	2813,2866,3891,4315,5069,36429,42349
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:8]:[c:7](:[n:5]:1-[C:6])-[Cl:9]>>[c:1]:[c:4]-1:[c:3](:[c:2])-[N:8]-[C:7](-[N:5]-1-[C:6])=[O:14].[Cl:9]-[P:11](=[O:10])(-[Cl:12])-[Cl:13]	7	2914,3526,4488,27007,29740,30001,35204
+[c:1]-[N:2]-[C:4](-[C:3])=[O:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3]-[C:4](=[O:5])-[O:8]	7	2941,33496,50882,50883,51529,51686,55884
+[C:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[C:1]-[C:2]-[Br:9].[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	7	2963,24806,24913,26570,27437,30967,43133
+[c:1]:[c:2](-[Si:3](-[C:4])(-[C:5])-[C:6]):[c:7]>>[c:1]:[c:2]:[c:7].[Si:3](-[C:4])(-[C:5])(-[C:6])-[Cl:8]	7	3026,27503,29517,34117,34120,34123,34126
+[C:1](-[c:2](:[c:3]):[c:4])-[N:6](-[C:5])-[C:7]>>[C:1]=[O:8].[C:5]-[N:6]-[C:7].[c:2](:[c:3]):[c:4]	7	3101,3102,7229,16588,16627,16628,16630
+[C:1]-[C:2](=[C:3](-[C:4]-[Br:5])-[N:6])-[C:7]>>[Br:5]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[C:1]-[C:2](=[C:3](-[C:4])-[N:6])-[C:7]	7	3167,3283,6695,8069,8310,8501,8736
+[c:1]-[C:2](-[N:3]-[N:4])=[O:5]>>[c:1]-[C:2](=[O:5])-[O:8]-[C:7]-[C:6].[N:3]-[N:4]	7	3243,10085,12094,38167,42157,42212,42258
+[n:1]:[c:9]:1:[c:3](:[n:2]):[c:4](-[N:5]):[n:6]:[c:7]:[n:8]:1>>[n:1]:[c:9]:1:[c:3](:[n:2]):[c:4](:[n:6]:[c:7]:[n:8]:1)-[Cl:10].[N:5]	7	3471,3473,12029,24821,24830,40978,40990
+[c:1]-[C:2]=[C:3](-[C:4])-[C:5](=[O:6])-[O:7]>>[C:3](-[C:4])(-[C:5](=[O:6])-[O:7])-[P:11](-[O:10]-[C:9]-[C:8])(=[O:12])-[O:13]-[C:14]-[C:15].[c:1]-[C:2]=[O:16]	7	3478,3479,3480,3481,6015,6016,21549
+[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])-[P:10](-[O:9]-[C:8]-[C:7])(=[O:11])-[O:12]-[C:13]-[C:14].[c:1]-[C:2]=[O:15]	7	3484,3493,3494,3495,3497,3504,18329
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[c:7]:2:[n:8]:[c:9]:[c:10]:[c:11]:[n:12]:2>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1.[c:7]:1(:[n:8]:[c:9]:[c:10]:[c:11]:[n:12]:1)-[Cl:13]	7	3524,3525,9508,10034,15972,22711,37002
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5]>>[c:1]-[N:2]=[C:3]=[S:4].[N:5]	7	3544,33338,36795,38584,40693,40823,40825
+[N:1]-[C:2](-[C:3])=[C:4](-[c:5](:[c:6]):[c:7])-[C:8](=[O:9])-[N:10]>>[N:1]-[C:2](-[C:3])=[C:4](-[C:8](=[O:9])-[N:10])-[Br:11].[c:5](:[c:6])(:[c:7])-[B:13](-[O:12])-[O:14]	7	3583,3584,7410,23341,29405,39647,51896
+[C:1]-[C:2]-[C:3](-[C:4])-[C:5]>>[C:1]-[C:2]=[C:3](-[C:4])-[C:5]	7	3839,8910,11619,23205,26259,26279,52395
+[C:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[N:6]):[n:7]:1>>[C:1]-[C:2](-[C:3]-[Br:9])=[O:8].[S:4]=[C:5](-[N:6])-[N:7]	7	3911,7236,13402,13403,17299,26426,42069
+[C:1]-[C:2](=[C:3]-[c:4])-[C:5]=[O:6]>>[C:1]-[C:2]-[C:5]=[O:6].[C:3](-[c:4])=[O:7]	7	4012,15916,16036,25591,26181,49908,51298
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2]#[N:3].[N+:4](=[N-:5])=[N-:6]	7	4067,20047,46012,47804,47900,47987,48019
+[C:1]-[C:2]-[S:3]-[C:4]>>[C:1]-[C:2]-[Cl:5].[S:3]-[C:4]	7	4204,4905,5280,5330,20554,36286,47463
+[O:1]=[C:2](-[N:3])-[C:5](-[c:4])(-[C:6]-[O:7])-[c:8]>>[O:1]=[C:2](-[N:3])-[C:5](-[c:4])-[c:8].[C:6]-1(=[O:7])-[C:14](-[c:13]:2:[c:11](:[c:10]:[c:9]:[c:32]:[c:31]:2-[N:30]-1-[C:29]-[C:28]-[C:27]-[C:26]-[C:25])-[Br:12])-[c:15]:3:[c:16]:[c:17]-4:[c:18](:[c:19]:[c:20]:3-[O:21])-[O:22]-[C:23]-[O:24]-4	7	4227,4228,4229,4230,4232,4233,4234
+[c:1]-[S:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Cl:5].[c:1]-[S:2]	7	4325,4359,5229,5230,12939,52968,53011
+[c:1]:1:[n:2]:[c:3](:[c:4]:[c:5](-[N:6]-[C:7]):[n:8]:1):[s:9]>>[N:6]-[C:7].[c:1]:1:[n:2]:[c:3](:[c:4]:[c:5](:[n:8]:1)-[Cl:10]):[s:9]	7	4481,6693,9428,19063,50131,50254,51417
+[C:1]-[N:2](-[C:3])-[C:4](-[c:5])-[c:6]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5])(-[c:6])-[Br:7]	7	4509,11571,13813,14791,15167,16202,16203
+[C:1]-[N:2](-[C:3])-[C:8](-[N:4]-[c:5](:[n:6]):[s:7])=[O:9]>>[C:1]-[N:2]-[C:3].[N:4](-[c:5](:[n:6]):[s:7])=[C:8]=[O:9]	7	4526,5299,11430,16549,25782,36430,43147
+[C:1]-[O:2]-[c:3](:[c:4](:[c:5]:[n:7]):[c:9]:[n:8]):[c:6]>>[C:1]-[O:2].[c:3](:[c:4](:[c:5]:[n:7]):[c:9]:[n:8])(:[c:6])-[F:10]	7	4543,7725,14856,32380,33015,46827,50499
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[N:7]-[C:8])=[C:9]-[O:10]>>[N:7]-[C:8].[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:13]-[C:12]-[C:11])=[C:9]-[O:10]	7	4581,6725,12481,12482,12485,43503,46831
+[C:1]-[S:2]>>[C:1]-[S:2]-[C:4](-[C:3])=[O:5]	7	4741,17492,43149,55226,56434,56582,56598
+[N:1]-[C:2](=[O:3])-[C:4]-[n:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1>>[N:1]-[C:2](=[O:3])-[C:4]-[Cl:10].[n:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1	7	4813,13922,13923,13924,13925,49753,51245
+[O:1]=[C:2](-[N:3])-[C:5](-[c:4])(-[c:7](:[c:6]):[c:8])-[O:9]>>[O:1]=[C:2](-[N:3])-[C:5](-[c:4])=[O:9].[c:6]:[c:7]:[c:8]	7	4998,29508,36242,36483,44313,51584,52146
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8])-[O:9]>>[C:1](-[c:6](:[c:5](-[N:4]):[c:8]):[c:7])(=[O:9])-[O:11].[N:2]-[C:3]=[O:10]	7	5085,27739,40290,42408,42520,44599,44601
+[C:1]-[C:2]-[O:3]-[C:4]>>[O:3]-[C:4].[C:1]-[C:2]-[O:13]-[S:10](-[c:9]:1:[c:8]:[c:7]:[c:6](-[C:5]):[c:15]:[c:14]:1)(=[O:11])=[O:12]	7	5124,5126,11793,12527,22047,37910,55452
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2].[c:3](:[c:4])(:[c:5])-[N+:7](=[O:6])-[O-:8]	7	5210,32895,32903,32983,33027,47799,48235
+[c:1]-[O:2]-[c:3](:[c:4]):[n:6]:[n:5]>>[c:1]-[O:2].[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:7]	7	5432,27589,27590,39171,41613,50673,54582
+[c:1]:[c:2](:[c:3])-[C:6](=[N:5]-[C:4])-[C:7]>>[c:1]:[c:2]:[c:3].[C:4]-[N:5]-[C:6](-[C:7])=[O:8]	7	5450,27922,33532,37493,39467,54291,56811
+[c:1]-[N:2](-[C:3])-[c:4](:[n:5]):[c:6]>>[c:1]-[N:2]-[c:4](:[n:5]):[c:6].[C:3]-[I:7]	7	5602,22211,22408,25141,27148,31376,31591
+[n:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](:[c:8]:1)-[Br:9].[c:5](:[c:6])(:[c:7])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	7	5796,20649,28405,28459,29094,29095,29232
+[N:1](-[C:2](-[N:6]-[c:5](:[n:3]):[c:4])=[S:10])-[C:8](-[O:7])=[O:9]>>[N:1](=[C:2]=[S:10])-[C:8](-[O:7])=[O:9].[n:3]:[c:5](:[c:4])-[N:6]	7	5902,5903,5904,5906,5907,5908,5909
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[S:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:9].[S:7]-[c:8]	7	6030,25494,34326,49018,49072,53920,54882
+[n:1]:[c:2](-[C:3]-[O:6]):[c:4]:[n:5]>>[n:1]:[c:2](-[C:3]=[O:6]):[c:4]:[n:5]	7	6192,30030,43305,51260,51467,54694,57043
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5]-[c:6])-[c:7]>>[C:5](-[c:6])-[Br:8].[C:1]-[C:2](=[O:3])-[N:4]-[c:7]	7	6247,20149,23527,29768,49609,51110,52169
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[c:1]-[C:2](=[O:9])-[O:10].[N:3]-[c:4](:[c:5](:[c:6])-[N:8]):[c:7]	7	6375,22066,36057,36356,49622,50605,51045
+[c:1]-[C:2]-[S:3]-[c:4]>>[c:1]-[C:2]-[Br:5].[S:3]-[c:4]	7	6436,42494,45572,48546,48699,49542,55855
+[O:1]=[C:2](-[N:3]-[c:4])-[c:5](:[c:6]):[o:7]>>[O:1]=[C:2](-[c:5](:[c:6]):[o:7])-[Cl:8].[N:3]-[c:4]	7	6618,6619,12638,13275,19553,46124,51271
+[N:1](-[C:2]-[C:3])-[C:4]>>[N:1]-[C:4].[C:2](-[C:3])-[O:5]	7	6692,7279,21816,21817,27591,30153,48510
+[c:1]:[c:2](-[N:3]):[n:4]>>[c:1]:[c:2](-[N:3]-1-[C:6](=[O:5])-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14]):[n:4]	7	6840,25242,37942,44557,51369,55756,55813
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1]-[N:2].[C:3](=[O:4])(-[n:10]:1:[c:9]:[c:8]:[n:17]:[c:16]:1)-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	7	7028,7924,7925,7958,9767,32334,39478
+[C:1](-[N:2]-[O:3])(-[c:4])=[O:5]>>[C:1](-[c:4])(=[O:5])-[O:7]-[C:6].[N:2]-[O:3]	7	7032,9943,24993,25003,47070,47092,47120
+[n:1]:[c:2](-[C:3](-[N:4])=[O:5]):[c:6]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:8]-[C:7]):[c:6].[N:4]	7	7094,7095,25679,39036,40691,40721,41005
+[C:1](-[C:2](=[O:3])-[O:4])(-[C:5]-[C:6](-[C:7])=[O:9])=[O:8]>>[C:5]-[C:6](-[C:7])=[O:9].[C:1](-[C:2](=[O:3])-[O:4])(=[O:8])-[O:12]-[C:11]-[C:10]	7	7235,10654,26270,26370,27920,30903,30912
+[c:1]-[O:2]-[C:5](-[C:4]-[C:3])-[O:6]>>[c:1]-[O:2].[C:3]-[C:4]=[C:5]-[O:6]	7	7253,43731,43740,43752,43756,43765,43769
+[C:1](-[C:2])=[O:3]>>[O:3]-1-[C:4]-[C:6]-[C:7]-[C:8]-1.[C:1](-[C:2])#[N:5]	7	7293,13095,13096,13097,13109,13117,13122
+[C:1]-[C:2](-[C:3])(-[F:4])-[C:5]>>[C:1]-[C:2](-[C:3])(-[C:5])-[O:14].[F:4]-[S:11](-[N:8](-[C:7]-[C:6])-[C:9]-[C:10])(-[F:12])-[F:13]	7	7596,9949,9950,17257,21979,23598,25860
+[c:1]-[N:2]-[C:3](=[N:4])-[c:5](:[c:6]):[s:7]>>[c:1]-[N:2].[C:3](=[N:4])(-[c:5](:[c:6]):[s:7])-[S:9]-[C:8]	7	7749,12823,12841,18291,18442,18445,41736
+[s:1]:[c:2](-[N:3]-[S:4](=[O:5])(=[O:6])-[c:7]):[n:8]>>[s:1]:[c:2](-[N:3]):[n:8].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:9]	7	7839,37229,42840,42841,42861,54266,55408
+[C:1]-[C:2](-[C:3]#[N+:5])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:6].[C-:3]#[N+:5]	7	7891,7921,8016,11500,18064,18647,33553
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:7].[O:1]-[C:2](=[O:3])-[Cl:8]	7	8023,9893,9897,30793,32358,34854,50216
+[C:1]-[C:2](-[C:3]=[O:5])-[C:4]>>[C:1]-[C:2](=[C:3]-[O:5]-[C:6])-[C:4]	7	8835,9164,10039,11508,28740,49387,54047
+[O:1]=[C:2](-[c:3])-[O:4]>>[O:1]=[C:2]-[c:3].[O:4]=[C:6](-[C:5])-[C:7]	7	8937,26320,26321,26332,26341,26345,26348
+[N:1]-[c:2]:1:[n:3]:[c:4](-[C:5](=[N:6])-[C:7](=[O:8])-[O:9]):[c:10]:[s:11]:1>>[C:4](-[C:5](=[N:6])-[C:7](=[O:8])-[O:9])(-[C:10]-[Cl:13])=[O:12].[N:1]-[C:2](-[N:3])=[S:11]	7	9091,26825,42045,42046,42049,42050,42051
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](=[O:3])-[Cl:4]	7	9558,16034,25461,27695,27759,48571,54618
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[s:8])-[C:9]>>[C:1]-[N:2]-[C:9].[S:3](=[O:4])(=[O:5])(-[c:6](:[c:7]):[s:8])-[Cl:10]	7	9608,13693,13913,15130,45517,46134,46241
+[C:1]-[C:2](-[c:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](-[c:3])-[Cl:7]	7	9899,13780,13785,13932,15062,15063,19656
+[O:1]=[C:2](-[N:3])-[C:5](-[S:4])=[C:6]-[c:7]>>[O:1]=[C:2](-[N:3])-[C:5]-[S:4].[C:6](-[c:7])=[O:8]	7	9930,14316,14626,25850,38713,38734,41657
+[C:1]-[c:2]:1:[c:3](-[c:4]):[n:5]:[c:6](:[c:7]):[c:9]:1:[c:8]>>[C:1]-[C:2]-[C:3](-[c:4])=[O:11].[N:5](-[c:6](:[c:7]):[c:9]:[c:8])-[N:10]	7	9969,16037,16041,49352,50171,53487,53584
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[c:8]:[n:9]>>[n:1]:[c:2]:[c:3](:[c:7]:[c:8]:[n:9])-[Br:10].[c:4](:[c:5])(:[c:6])-[B:12](-[O:11])-[O:13]	7	10071,14593,14594,25971,46579,46590,54703
+[C:1]-[C:2](=[O:3])-[C:4]=[C:5]>>[C:1]-[C:2](=[O:3])-[N:10](-[O:9]-[C:8])-[C:11].[C:4](=[C:5])-[Mg:7]-[Br:6]	7	10201,10205,10210,11255,16555,16561,16573
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[n:7]:[c:8]:[c:9]>>[N:3]-[C:4](=[O:5])-[C:6].[c:1]:[c:2](:[n:7]:[c:8]:[c:9])-[Cl:10]	7	10632,20218,29687,38330,43614,44084,44085
+[n:1]:[c:2]:[c:3](-[I:4]):[c:5]:[n:6]>>[n:1]:[c:2]:[c:3]:[c:5]:[n:6].[I:4]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	7	10903,22826,22827,33585,33955,44421,44434
+[c:1]:[c:2](:[c:3]):[n:8]:[c:5](:[c:4])-[O:6]-[C:7]>>[O:6]-[C:7].[c:1]:[c:2](:[c:3]):[n:8]:[c:5](:[c:4])-[Cl:9]	7	10907,15984,16302,32714,32863,33050,50183
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+[c:1]:[c:2](-[N:3](-[C:4])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]):[n:5]>>[c:1]:[c:2](-[N:3]-[C:4]):[n:5].[C:6]-[C:7](-[C:8])(-[C:9])-[O:10]-[C:11](=[O:12])-[O:20]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]	7	11206,15430,21048,21112,21166,21218,21359
+[c:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1):[c:8]>>[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1.[c:1]:[c:2](:[c:8])-[B:10](-[O:9])-[O:11]	7	11271,19750,19751,25257,34627,53891,54244
+[N:1](-[C:2])-[c:3]>>[C:2]=[O:4].[N:1]-[c:3]	7	11323,16590,16591,16592,16604,16605,16606
+[c:1]:1(:[c:2]:[n:3]:[n:4]:[c:5]:1)-[I:6]>>[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1.[I:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	7	11444,19779,23143,39472,39473,44408,44440
+[C:1](=[O:2])(-[C:3](-[C:4]-[c:5])(-[C:6])-[C:7])-[O:8]>>[C:1](=[O:2])(-[C:3](-[C:6])-[C:7])-[O:8].[C:4](-[c:5])-[Br:9]	7	11692,13386,22548,22549,22551,26400,52119
+[n:1]:[n:2](:[c:3](-[N:4]-[C:5]):[c:6]):[c:8](:[c:7]):[c:9]>>[N:4]-[C:5].[n:1]:[n:2](:[c:3](:[c:6])-[Cl:10]):[c:8](:[c:7]):[c:9]	7	11771,11776,12164,12165,12183,12186,12190
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1>>[c:1]-[O:2].[S:3](=[O:4])(=[O:5])(-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1)-[Cl:13]	7	11838,27594,27700,27701,27702,46070,49317
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]):[c:8]):[c:9]:1>>[c:6](:[c:7])(:[c:8])-[B:12](-[O:11])-[O:13].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[I:10]	7	11843,17535,40598,40609,40621,43312,48316
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[n:7]):[c:10]>>[c:3]:1(:[c:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[n:7])-[Cl:11].[c:1]:[c:2](:[c:10])-[B:13](-[O:12])-[O:14]	7	12001,15930,15935,37042,38493,38494,38699
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:5](-[C:6])(=[O:8])-[O:9].[C:1]-[C:2](-[N:3]-[O:4])=[N:7]	7	12088,18746,22200,22574,23305,41721,41722
+[C:1](-[N:2]-[c:3])(-[N:4]-[C:5])=[S:6]>>[N:4]-[C:5].[C:1](=[N:2]-[c:3])=[S:6]	7	12483,17606,21437,23165,41419,41562,42116
+[c:1](:[n:2]):[c:4](:[c:3])-[c:5](:[c:6]):[c:8]:[n:7]>>[c:5](:[c:6])(:[c:8]:[n:7])-[B:11](-[O:10])-[O:12].[c:1](:[n:2]):[c:4](:[c:3])-[Br:9]	7	12533,13439,15909,17149,32360,32491,46773
+[n:1]:[c:2]:[c:3](-[C:4](-[N:5])=[O:6]):[s:7]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:6])-[O:8]):[s:7].[N:5]	7	12560,15829,20430,39761,40893,40948,40965
+[C:1](=[O:2])-[O:4]-[C:3]>>[C:1](=[O:2])-[O:4].[C:3](-[Cl:5])-[Cl:6]	7	12650,35057,35091,35105,35109,35111,35123
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+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2]=[C:3]-[c:4]	7	12981,14385,25046,28868,32307,55736,56189
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:7]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:8].[O:7]	7	13286,36975,36981,42955,43005,43008,43010
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[C:2]#[N:3].[N+:4](=[N-:5])=[N-:6]	7	13322,17315,37486,39912,47898,47924,47928
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	7	13574,22864,41626,41637,43681,46059,47425
+[s:1]:[c:2](-[N:3]):[n:4]>>[s:1]:[c:2](-[N:3]-[C:6](-[C:5])=[O:7]):[n:4]	7	14018,20787,45254,45906,53143,55316,55627
+[c:1]:[c:4](-[C:2]-[S:3]):[c:5]>>[c:1]:[c:4]:[c:5].[C:2](-[S:3])-[Cl:6]	7	14021,35049,43549,45967,45968,45969,53019
+[c:1]:[c:2](-[N:3]-[c:4]:1:[n:5]:[c:6]:[c:7]:[s:8]:1):[n:9]>>[c:1]:[c:2](-[N:3]):[n:9].[c:4]:1(:[n:5]:[c:6]:[c:7]:[s:8]:1)-[Cl:10]	7	14224,24468,25092,31891,42828,42832,42837
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])#[N:5].[O:3]-[C:4]	7	14302,32771,32777,32888,32966,33098,33100
+[c:1]-[S:2]>>[c:1]-[S:2]-[C:4]#[N:3]	7	14422,25358,26103,29583,41357,48547,55889
+[O:1]-[C:2]-1=[C:3]-[N:4](-[c:5])-[N:6]=[C:7]-[C:8]-1=[O:9]>>[O:1]-[C:2]-[C:8](-[C:7]=[N:6]-[N:4]-[c:5])=[O:9].[C:3](-[O:11]-[C:10])(-[O:12]-[C:13])-[N:14](-[C:15])-[C:16]	7	15866,39667,40086,40392,43151,43152,43187
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2]=[O:3].[O:4]-[P:6](=[O:5])(-[O:7])-[O:8]	7	15902,40133,44635,47328,47329,47332,47333
+[N:1]=[C:2](-[C:3](-[C:4])=[O:7])-[C:5]=[O:6]>>[N:1]=[C:2](-[C:3](=[O:7])-[N:10](-[O:9]-[C:8])-[C:11])-[C:5]=[O:6].[C:4]-[Mg+:12]	7	15904,39695,40077,40205,47552,47553,47556
+[C:1]=[C:2]-[C:3](-[O:4])-[c:5]>>[C:1]=[C:2]-[Mg:7]-[Br:6].[C:3](=[O:4])-[c:5]	7	16558,16559,16560,16567,16568,16572,16574
+[n:1]:[c:10]:1:[c:3](:[n:2]):[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:[n:9]:1>>[n:1]:[c:10]:1:[c:3](:[n:2]):[c:4](:[n:7]:[c:8]:[n:9]:1)-[Cl:11].[N:5]-[c:6]	7	16579,38990,39516,39519,42649,48611,52844
+[C:1]-[N:2](-[C:3])-[c:4]>>[C:3]=[O:5].[C:1](-[B:6])#[N:7].[N:2]-[c:4]	7	16688,16689,16690,16691,16692,16693,16694
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[C:5]=[N+:7]=[N-:6].[C:1]-[C:2](=[O:3])-[O:4]	7	16771,16772,16777,16782,16783,16784,16787
+[n:1]:1:[c:2]:[c:3](-[Cl:4]):[c:5]:[n:6]:1>>[n:1]:1:[c:2]:[c:3]:[c:5]:[n:6]:1.[Cl:4]-[S:8](=[O:7])(=[O:9])-[Cl:10]	7	17118,39067,39857,40101,40102,45438,45442
+[c:1]:[c:2](-[N:3]):[n:4]>>[c:1]:[c:2](-[N:3]-[C:9](-[C:6](-[C:5])(-[C:7])-[C:8])=[O:10]):[n:4]	7	17397,17406,17408,17417,17529,17543,17550
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[n:9]>>[c:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[n:9])-[Cl:10]	7	17823,23961,45396,50182,50777,50779,50780
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[F:4]	7	18205,26045,26781,28319,35958,50911,53301
+[C:1]-[O:2].[C:3]-[O:4]>>[C:1]-[O:2]-[C:5](-[O:4]-[C:3])(-[C:6])-[C:7]	7	20137,23518,29350,29351,43712,43717,50415
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1>>[C:1]-[C:2]-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1	7	20485,22281,22808,22869,24776,45199,45859
+[c:1]:[c:2](-[n:3]:1:[c:4](:[c:5]):[c:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[B:11](-[O:10])-[O:12].[n:3]:1:[c:4](:[c:5]):[c:6]:[c:7]:[c:8]:1	7	20598,27401,44687,46537,46539,50042,56636
+[n:1]:[c:2]:[c:3](-[C:4]=[O:5]):[c:6]:[n:7]>>[n:1]:[c:2]:[c:3](-[C:4]-[O:5]):[c:6]:[n:7]	7	20821,38445,38617,48518,48519,49002,51538
+[c:1]:1:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[n:7]:[n:8]:1>>[c:1]:1:[c:2]:[c:3](:[n:7]:[n:8]:1)-[I:9].[c:4](:[c:5])(:[c:6])-[B:11](-[O:10])-[O:12]	7	21452,21476,23113,27304,38160,48691,51906
+[c:1]-[N:2]>>[c:1]-[N:2]-[C:7]-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:9]:[c:8]:1	7	21571,21572,27016,52463,52464,53703,56404
+[n:1]:[c:2]:[c:3](-[C:4](-[N:5])=[O:6]):[n:7]>>[n:1]:[c:2]:[c:3](-[C:4]#[N:5]):[n:7].[O:6]-[O:8]	7	23528,37809,40189,41553,46143,47266,47325
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[O:1]-[C:2](=[O:3])-[Cl:7].[N:4](-[C:5])-[c:6]	7	24354,25479,27252,27258,30772,30778,33235
+[c:1]:[c:2](-[C:3](-[N:4])=[O:5]):[n:6]>>[c:1]:[c:2](-[C:3]#[N:4]):[n:6].[O:5]-[O:7]	7	24439,30027,38797,40000,47265,47283,47284
+[c:1]-[N:2](-[C:3]#[N:4])-[C:5]>>[c:1]-[N:2]-[C:5].[C:3](#[N:4])-[Br:6]	7	25025,25028,25029,25030,25031,25032,41197
+[c:1]:[c:2](-[I:3]):[c:4]>>[c:1]:[c:2]:[c:4].[I:3]	7	25328,34559,40440,40450,40451,40453,40468
+[c:1]:1:[n:2]:[c:3](:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:1)-[Cl:10]>>[c:1]:1:[n:2]:[c:3](:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:1)-[O:15].[Cl:10]-[P:12](=[O:11])(-[Cl:13])-[Cl:14]	7	25722,27896,35225,35247,35323,35514,35517
+[c:1]:[c:4]-1:[c:3](:[c:2])-[C:10](-[C:9]-[C:8]-[C:5]-1(-[C:6])-[C:7])(-[C:11])-[C:12]>>[C:5](-[C:6])(-[C:7])(-[C:8]-[C:9]-[C:10](-[C:11])(-[C:12])-[Cl:14])-[Cl:13].[c:1]:[c:4]:[c:3]:[c:2]	7	25959,25960,25961,25962,25963,25964,25965
+[c:1]-[C:2](=[N:3]-[O:5])-[c:4]>>[c:1]-[C:2](-[c:4])=[O:6].[N:3]-[O:5]	7	26838,47047,47069,47116,47142,47147,47186
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:4](-[C:3])-[C:5]	7	27285,27320,27333,27348,27377,53352,54256
+[c:1]:[c:3](:[c:2])-[c:4](:[c:5]:[n:6]):[c:8]:[n:7]>>[c:4](:[c:5]:[n:6])(:[c:8]:[n:7])-[Br:9].[c:1]:[c:3](:[c:2])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	7	27315,28373,28424,28956,28994,29139,29158
+[c:1]-[c:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[n:8]:[o:9]:1>>[c:1]-[C:2](-[C:3]-[C:4](-[C:5](=[O:6])-[O:7])=[O:10])=[O:11].[N:8]-[O:9]	7	27326,27602,43927,44267,44268,47133,47180
+[O:1]-[C:2]>>[O:1](-[C:2])-[Si:11](-[C:5](-[C:6])-[C:7])(-[C:9](-[C:8])-[C:10])-[C:12](-[C:3])-[C:4]	7	27519,27526,27530,27533,27536,27538,27540
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n+:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n+:6]:[c:7]:[c:8]:1)-[N+:10](=[O:9])-[O-:11]	7	30411,30453,32908,32961,36924,46960,51460
+[C:1]-[n:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1>>[C:1]-[I:7].[n:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	7	31166,31453,31569,31575,31600,31610,31814
+[C:1]-[N:2]-[C:3]=[O:4]>>[C:1]-[N:2].[C:3](=[O:4])-[O:7]-[C:6]-[C:5]	7	31180,31181,31183,31187,31190,31192,31196
+[O:1]-[N:2]=[C:3](-[C:4])-[c:5](:[n:6]):[c:7]>>[O:1]-[N:2].[C:3](-[C:4])(-[c:5](:[n:6]):[c:7])=[O:8]	7	31206,33252,33266,33929,46285,46308,47072
+[C:1]-[N:2](-[c:3]:[c:4]:[n:5])-[S:6]>>[C:1]-[I:7].[N:2](-[c:3]:[c:4]:[n:5])-[S:6]	7	31417,31523,31536,31537,31549,31550,31551
+[c:1]:[c:2](-[N:3]-[c:4]):[c:5]>>[N:3]-[c:4].[c:1]:[c:2](:[c:5])-[I:6]	7	32397,33202,33203,33357,34070,49293,54865
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[n:6]:[c:7]:1-[c:8]>>[c:1]:[c:2](:[c:3](:[c:4])-[F:10])-[C:7](-[c:8])=[O:9].[N:5]-[N:6]	7	33293,39631,42218,42219,42289,42290,42291
+[c:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:1]-[C:2](=[O:3])-[N:10](-[O:9]-[C:8])-[C:11].[c:4](:[c:5])(:[c:6])-[Br:7]	7	33371,33462,33463,33464,36804,50731,51591
+[c:1]-[C:4](-[N:3]-[C:2])-[C:5]>>[c:1]-[C:4](=[N:3]-[C:2])-[C:5]	7	33431,39584,45359,46237,49433,49885,56998
+[C:1](-[C:2]-[C:3](-[C:4](-[F:5])(-[F:6])-[F:7])=[O:9])=[O:8]>>[C:1](-[C:2])=[O:8].[C:3](-[C:4](-[F:5])(-[F:6])-[F:7])(=[O:9])-[O:12]-[C:11]-[C:10]	7	34274,37343,37349,37351,37353,37354,37355
+[c:1](:[c:2]:[c:3]):[n:4]>>[c:1](:[c:2](:[c:3])-[C:6](=[O:5])-[O:7]):[n:4]	7	34280,34281,34344,34382,49133,50002,53141
+[c:1]:1:[n:2]:[c:3]:[c:5](:[c:4]):[n:6]:[c:7]:1-[Cl:8]>>[c:1]:1:[n:2]:[c:3]:[c:5](:[c:4]):[n:6]:[c:7]:1-[O:13].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	7	34316,34317,35201,35290,35384,35510,35511
+[c:1]-[C:2](=[N:3]-[c:4])-[C:8]-[C:6](-[N:5])=[O:7]>>[c:1]-[C:2](-[C:8]-[C:6](-[N:5])=[O:7])=[O:9].[N:3]-[c:4]	7	38478,38529,48995,51219,51220,54707,57054
+[n:1]:1:[c:2](:[c:3]):[c:5](:[c:4]):[c:6](:[c:7]:1:[c:8]):[c:9]>>[N+:1](-[c:7](:[c:6](-[c:5](:[c:2]:[c:3]):[c:4]):[c:9]):[c:8])(=[O:10])-[O-:11]	7	51768,53194,53196,53243,53244,54499,55649
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[Br:4].[C:1]-[C:2]-[O:5]	6	132,165,228,359,384,402
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[Br:6]>>[Br:6]-[Br:7].[c:1](:[n:2]):[c:5]:[c:4]:[n:3]	6	214,256,264,276,438,461
+[O:1]=[S:2](=[O:3])(-[O:4]-[C:5])-[c:6]>>[O:4]-[C:5].[O:1]=[S:2](=[O:3])(-[c:6])-[Cl:7]	6	589,3090,17716,23352,39893,43902
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:4](=[O:5])(-[C:6])-[Br:7].[C:1]-[N:2]-[C:3]	6	602,604,606,621,622,4795
+[C:1]-[N:2](-[C:3]-[C:4](-[N:5])=[O:6])-[C:7]>>[C:3](-[C:4](-[N:5])=[O:6])-[Br:8].[C:1]-[N:2]-[C:7]	6	628,630,631,2456,19712,34763
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6]>>[N:1]-[C:2](=[O:3])-[C:4]-[Br:7].[N:5]-[C:6]	6	633,10840,11478,11647,12429,14342
+[O:1]=[C:2](-[O:3])-[C:4]-[N:5]-[c:6]>>[O:1]=[C:2](-[O:3])-[C:4]-[Br:7].[N:5]-[c:6]	6	668,18166,30632,30633,30649,30715
+[O:1]=[C:2](-[O:3]-[C:4]-[C:5]=[O:7])-[C:6]>>[C:4](-[C:5]=[O:7])-[Br:8].[O:1]=[C:2](-[O:3])-[C:6]	6	728,4541,26421,36380,44123,50837
+[C:1]-[C:2](-[C:3])(-[C:4]-[C:5])-[C:6](=[O:7])-[O:8]>>[C:4](-[C:5])-[Br:9].[C:1]-[C:2](-[C:3])-[C:6](=[O:7])-[O:8]	6	864,5744,5745,5748,22550,24946
+[C:1]-[C:2]-[N:3](-[c:4])-[S:5]>>[C:1]-[C:2]-[Br:6].[N:3](-[c:4])-[S:5]	6	890,3749,3784,5155,5178,21791
+[n:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:1>>[n:1]:1:[c:2]:[n:3]:[c:4](:[c:8]:1)-[Br:9].[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12]	6	1035,19302,46583,46584,46699,54704
+[c:1]-[C:2](-[O:3])-[c:4]:1:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1>>[c:4]:1:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1.[c:1]-[C:2]=[O:3]	6	1094,1096,44312,45683,48167,48168
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5]#[C:6]-[C:7]):[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:8]:1)-[Br:9].[C:5]#[C:6]-[C:7]	6	1100,1396,1400,17134,17259,17262
+[c:1](:[n:2]:[c:3](-[O:4]-[c:5]):[c:6]):[c:7]>>[c:1](:[n:2]:[c:3](:[c:6])-[Br:8]):[c:7].[O:4]-[c:5]	6	1127,50456,50622,52926,55029,55037
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[c:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Br:12].[c:6]:1(:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[B:14](-[O:13])-[O:15]	6	1131,10236,23012,46480,46559,46747
+[O:1]-[C:2](-[c:3](:[c:4]):[c:6]:[n:5])(-[C:7])-[C:8]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:9].[O:1]=[C:2](-[C:7])-[C:8]	6	1139,1193,11913,26327,43833,49718
+[c:1]:[c:2](-[C:3]#[C:4]):[c:5]:[n:6]>>[c:1]:[c:2](:[c:5]:[n:6])-[Br:7].[C:3]#[C:4]	6	1198,46260,48937,48938,49446,55712
+[c:1]:1:[c:2]:[s:3]:[c:4](-[c:5](:[c:7]):[c:8]):[n:6]:1>>[c:1]:1:[c:2]:[s:3]:[c:4](:[n:6]:1)-[Br:9].[c:5](:[c:7])(:[c:8])-[B:11](-[O:10])-[O:12]	6	1213,1232,1233,14062,29553,45413
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[o:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[o:8]:1)-[Br:9].[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12]	6	1239,5940,45267,46400,46474,46736
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[C:6]#[C:7]-[C:8]):[c:9]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[I:10].[C:6]#[C:7]-[C:8]	6	1288,1291,5090,5328,11929,17260
+[C:1]#[C:2]-[C:3]-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]#[C:2]-[C:3]-[Br:6]	6	1298,1313,1317,1320,1323,51917
+[C:1](-[N:2]-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12])-[C:4](-[N:3])=[O:5]>>[C:6]-[C:7](-[C:8])(-[C:9])-[O:10]-[C:11](=[O:12])-[O:20]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19].[C:1](-[N:2])-[C:4](-[N:3])=[O:5]	6	1330,6887,7449,20997,21188,21210
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5](:[c:6])-[O:8])(:[c:7])-[I:9]	6	1356,1357,1364,1369,1391,20138
+[c:1]:[c:2](-[C:3]#[C:4]-[C:5]):[c:6]>>[C:3]#[C:4]-[C:5].[c:1]:[c:2](:[c:6])-[O:10]-[S:8](=[O:7])(=[O:9])-[C:11](-[F:12])(-[F:13])-[F:14]	6	1360,2177,17369,25984,34166,37592
+[c:1](:[n:2]):[c:3]-[c:4]:1:[c:5]:[c:6](-[C:7]):[n:8]:[o:9]:1>>[c:1](:[n:2]):[c:3]-[C:4]#[C:5].[C:6](-[C:7])(=[N:8]-[O:9])-[Cl:10]	6	1446,1447,1448,1455,1456,1457
+[C:1]#[C:2]-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1>>[C:1]#[C:2].[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:1)-[I:8]	6	1458,40605,48690,51855,55700,55979
+[C:1](-[c:2])=[C:3](-[C:4]#[N:5])-[C:6]#[N:7]>>[C:3](-[C:4]#[N:5])-[C:6]#[N:7].[C:1](-[c:2])=[O:8]	6	1484,1485,1487,1494,1495,1496
+[C:1]-[C:2](-[C:3](-[C:4]-[c:5])-[C:6](=[O:7])-[O:8])=[O:9]>>[C:4](-[c:5])-[Br:10].[C:1]-[C:2](-[C:3]-[C:6](=[O:7])-[O:8])=[O:9]	6	1514,2168,5520,26405,29653,29654
+[c:1]:[c:2](-[I:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:6].[I:3]-[I:5]	6	1523,39212,40500,40503,40504,40560
+[n:1]:[c:2](-[C:3]-[C:4]-[C:5](=[O:7])-[O:8]):[c:6]>>[n:1]:[c:2](-[C:3]=[C:4]-[C:5](=[O:7])-[O:8]):[c:6]	6	1595,25174,27449,39788,43392,56917
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[c:8]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5]-[c:6](:[n:7]):[c:8]	6	1602,1965,1967,1968,1969,1975
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[C:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:7].[O:5]-[C:6]	6	1642,1643,1666,1676,1677,1681
+[O:1]=[C:2](-[N:3]-[C:4])-[c:5](:[c:6]):[s:7]>>[O:1]=[C:2](-[c:5](:[c:6]):[s:7])-[Cl:8].[N:3]-[C:4]	6	1722,5724,6632,17609,22236,44299
+[C:1](-[C:2]-[O:3])-[C:4]-[O:5]>>[C:1](-[C:2](=[O:3])-[O:8]-[C:7]-[C:6])-[C:4](=[O:5])-[O:9]-[C:10]-[C:11]	6	1868,43021,44231,44232,55245,56800
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6](-[C:7]):[s:8]:1>>[C:4](-[c:5])(-[C:6](-[C:7])-[Br:10])=[O:9].[N:1]-[C:2](-[N:3])=[S:8]	6	2063,42057,42060,42066,42071,42076
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]-[C:7]>>[C:3](=[O:4])(-[C:5]=[C:6]-[C:7])-[Cl:8].[c:1]-[N:2]	6	2079,2080,2081,2082,2083,53728
+[c:1]-[C:2](-[C:3]#[N:4])-[C:5](-[C:6])=[O:7]>>[c:1]-[C:2]-[C:3]#[N:4].[C:5](-[C:6])(=[O:7])-[O:8]-[C:10]-[C:9]	6	2211,5822,10646,30523,30527,30528
+[C:1]-[c:2]:1:[c:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1>>[C:1]-[C:2](-[C:3]-[Cl:11])=[O:10].[n:4](:[c:5]:[c:6]):[c:8](:[c:7])-[N:9]	6	2231,2235,2237,35034,35038,35041
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:5]-[O:4]-[C:3]	6	2810,12156,19371,49458,54306,55283
+[C:1]-[C:2](-[C:3])(-[c:4])-[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1>>[C:1]-[C:2](-[C:3])(-[c:4])-[O:10].[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1	6	2881,29709,49971,50300,50961,51109
+[C:1]-[n:2]:1:[c:3](-[C:4]):[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:1]-[N:2]-[c:7](:[c:6](-[N:5]-[C:3](-[C:4])=[O:10]):[c:9]):[c:8]	6	2908,11620,19914,19927,25846,26810
+[c:1]-[C:2]=[C:3]-[c:4]>>[c:1]-[C:2]=[O:13].[C:3](-[c:4])-[P:8](-[O:7]-[C:6]-[C:5])(=[O:9])-[O:10]-[C:11]-[C:12]	6	2937,6019,6020,17719,31220,38623
+[C:1](=[O:2])(-[C:3](-[c:4](:[c:5]):[c:6])-[C:9](-[O:8])=[O:10])-[O:7]>>[c:4](:[c:5])(:[c:6])-[F:11].[C:1](=[O:2])(-[C:3]-[C:9](-[O:8])=[O:10])-[O:7]	6	3176,3191,3193,5700,5701,18172
+[C:1](=[O:2])-[C:3](-[C:4](=[O:5])-[N:6]-[C:7])=[C:8]-[N:9]>>[C:1](=[O:2])-[C:3](-[C:4](=[O:5])-[O:12]-[C:11]-[C:10])=[C:8]-[N:9].[N:6]-[C:7]	6	3287,14456,17800,28856,30929,49891
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[Cl:8]>>[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[O:13].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	6	3341,34449,35352,35380,35428,35528
+[C:1]-[C:2]-1=[C:3]-[C:4](=[C:5]=[N-:6])-[N+:7](-[C:8]=[C:9]-1)=[O:14]>>[C:1]-[c:2]:1:[c:3]:[c:4]:[n+:7](:[c:8]:[c:9]:1)-[O-:14].[C:5](#[N:6])-[Si:11](-[C:10])(-[C:12])-[C:13]	6	3508,25064,25137,33851,33862,33863
+[c:1]:[c:2](-[N:3]-[C:4](-[C:5])-[C:6]):[n:7]>>[C:4](-[C:5])(-[C:6])=[O:8].[c:1]:[c:2](-[N:3]):[n:7]	6	3797,10180,12343,12344,26310,43829
+[C:1](-[C:2])(-[c:3](:[c:4]):[c:5])=[O:6]>>[C:1](=[C:2])(-[O:6]-[C:21]-[C:22])-[Sn:12](-[C:11]-[C:10]-[C:9]-[C:8])(-[C:13]-[C:14]-[C:15]-[C:16])-[C:17]-[C:18]-[C:19]-[C:20].[c:3](:[c:4])(:[c:5])-[Br:7]	6	3973,3974,3977,3982,3984,3985
+[C:1]-[S:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[C:1]-[S:2].[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:8]	6	4053,7345,27721,29382,47452,47453
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2]-[Br:4].[I:3]	6	4161,18240,19969,40412,40418,40457
+[s:1]:[c:2](-[N:3]-[C:4]=[O:5]):[n:6]>>[s:1]:[c:2](-[N:3]):[n:6].[C:4](=[O:5])-[O:7]	6	4265,4645,26830,41401,41403,41405
+[C:1]-[S:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[S:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	6	4270,5281,5337,6070,43633,47458
+[c:1]:[c:3](:[c:2])-[C:4]-[C:5]=[C:6]>>[c:1]:[c:3](:[c:2])-[Br:7].[C:4](-[C:5]=[C:6])-[Sn:12](-[C:11]-[C:10]-[C:9]-[C:8])(-[C:13]-[C:14]-[C:15]-[C:16])-[C:17]-[C:18]-[C:19]-[C:20]	6	4276,4278,4281,4282,4284,4285
+[C:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7].[C:1]-[C:2]-[Cl:9]	6	4319,14395,15886,25712,32309,34259
+[C:1]-[C:2](=[O:3])-[C:4]=[C:5]-[C:6]>>[C:5](-[C:6])=[O:13].[C:1]-[C:2](=[O:3])-[C:4]-[P:9](-[O:8]-[C:7])(=[O:10])-[O:11]-[C:12]	6	4486,6962,7752,33277,43046,43495
+[C:1]-[N:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])-[Cl:7].[C:1]-[N:2]	6	4577,11019,14507,32473,35145,41828
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:13]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11]	6	4634,6761,8778,19047,23377,44446
+[c:1](:[c:2]-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]>>[c:1](:[c:2]-[C:3](=[O:4])-[Cl:8]):[n:7].[N:5]-[C:6]	6	4788,4789,6108,6608,42093,49135
+[C:1]=[C:2](-[C:3])-[C:4]-[O:6]-[c:5]>>[C:1]=[C:2](-[C:3])-[C:4]-[Cl:7].[c:5]-[O:6]	6	4806,4808,4809,4810,4811,49110
+[C:1]-[C:2]-[c:3]:[c:4]:[n:5]>>[C:1]-[C:2](-[c:3]:[c:4]:[n:5])=[O:6]	6	4814,15137,26401,32269,49994,54555
+[c:1]:1:[n:2]:[c:3]:[c:5](:[c:4]):[n:6]:[c:7]:1-[N:8]-[C:9]>>[N:8]-[C:9].[c:1]:1:[n:2]:[c:3]:[c:5](:[c:4]):[n:6]:[c:7]:1-[Cl:10]	6	4985,10067,10068,14303,55842,55934
+[c:1](:[c:2](-[C:3](-[N:4]-[c:5]:[c:7]:[n:6])=[O:10]):[n:8]):[n:9]>>[c:1](:[c:2](-[C:3](=[O:10])-[O:11]):[n:8]):[n:9].[N:4]-[c:5]:[c:7]:[n:6]	6	5070,37870,38449,42803,48646,49742
+[c:1](:[n:2]):[c:3]-[O:4]-[C:5]-[C:6]>>[C:5](-[C:6])-[O:7].[c:1](:[n:2]):[c:3]-[O:4]	6	5172,18795,40044,49503,51582,54658
+[N:1]#[C:2]-[C:3]-[C:4]-[N:5]-[C:6]>>[N:5]-[C:6].[N:1]#[C:2]-[C:3]=[C:4]	6	5242,7319,11941,32278,34691,41252
+[c:1]:[c:2]:[n:3]:[n:4]>>[c:1]:[c:2](:[n:3]:[n:4])-[Cl:5]	6	5429,13397,13850,15915,42544,55948
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:5](-[C:6])(=[O:8])-[O:9].[c:1]-[C:2](=[N:3]-[O:4])-[N:7]	6	5457,7591,12308,44129,44182,53746
+[N:1](-[C:2](=[O:3])-[C:4])-[c:5]>>[N+:1](-[c:5])(=[O:9])-[O-:10].[C:2](=[O:3])(-[C:4])-[O:8]-[C:7]-[C:6]	6	5629,35883,39860,43472,50472,54600
+[N:1](-[c:2](:[c:3]:[n:4]):[c:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]>>[c:2](:[c:3]:[n:4])(:[c:5])-[C:11](=[O:12])-[O:28].[C:6]-[C:7](-[C:8])(-[C:9])-[O:10].[N:1](=[N+:13]=[N-:29])-[P:14](=[O:15])(-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2	6	5712,17924,17931,17936,17950,17971
+[c:1]-[C:2]-[C:3]=[O:4]>>[c:1]-[C:2]=[C:3]-[O:4]-[C:5]	6	5722,34504,49500,49708,50868,53521
+[C:1]-[O:6]-[S:3](-[c:2]:1:[c:7]:[c:8]:[c:10](-[C:9]):[c:11]:[c:12]:1)(=[O:4])=[O:5]>>[C:1]-[O:6].[c:2]:1(-[S:3](=[O:4])(=[O:5])-[Cl:13]):[c:10](:[c:8]:[c:7]:[c:11]:[c:12]:1)-[C:9]	6	5970,22616,43512,45902,45904,45905
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5]>>[O:1]-[C:2](-[C:3])=[O:6].[N:4]-[c:5]	6	6245,7030,7583,8948,8950,43726
+[O:1]=[C:2]-[c:3]>>[C:2](-[c:3])#[N:4].[O:1]	6	6368,20843,23294,23434,42956,43012
+[N:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[N:1]-[N:2].[C:3](-[C:4])(=[O:5])-[Cl:6]	6	6386,6400,10798,10799,12045,26450
+[C:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3]):[c:4].[C:1]-[I:5]	6	6404,24130,31441,31464,31696,31729
+[N-:1]=[N+:2]=[N:3]-[C:4]-[c:5]>>[C:4](-[c:5])-[Cl:6].[N-:1]=[N+:2]=[N-:3]	6	6430,6454,12958,13917,22051,47993
+[c:1]:[c:2]:[n:3]:[c:4](-[c:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1):[c:11]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:11])-[Cl:12].[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[B:14](-[O:13])-[O:15]	6	6469,6542,18342,46743,46746,56363
+[c:1]-[C:5](-[C:3](-[N:2])=[O:4])=[C:6]-[N:7]-[c:8]>>[c:1]-[C:5](-[C:3](-[N:2])=[O:4])-[C:6]=[O:9].[N:7]-[c:8]	6	6554,6555,31341,49576,50724,53789
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1-[C:9]):[c:7]>>[c:1]-[C:2]=[O:10].[N:3]-[c:4](:[c:5](:[c:6])-[N:8]-[C:9]):[c:7]	6	6716,10678,17891,17892,17899,22689
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]-[N:7]-[C:8](=[O:9])-[c:10](:[c:11]):[n:12]>>[C:3]-1(=[O:4])-[c:5]:[c:6]-[N:7]=[C:8](-[O:9]-1)-[c:10](:[c:11]):[n:12].[C:1]-[N:2]	6	6743,26951,36271,39962,41849,41851
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]#[N:6]):[n:7]:[c:8]:[c:9]:1>>[C:1]-[C:2]-1=[C:3]-[C:4](=[C:5]=[N-:6])-[N+:7](-[C:8]=[C:9]-1)=[O:10]	6	6943,24869,24938,43434,43442,50609
+[N:1]#[C:2]-[c:3]:1:[n:4]:[c:5](-[C:6]):[c:7]:[c:8]:[c:9]:1>>[N-:1]=[C:2]=[C:3]-1-[N+:4](-[C:5](-[C:6])=[C:7]-[C:8]=[C:9]-1)=[O:10]	6	6944,10144,18230,50610,52245,54558
+[C:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:7]-[C:8]>>[C:1]=[C:2]-1-[O:3]-[C:5](-[C:4]-1)=[O:6].[O:7]-[C:8]	6	6947,6951,6952,6953,6954,6956
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:6]	6	7029,7619,13752,14755,29565,52518
+[C:1](-[C:2])-[Cl:3]>>[C:1](-[C:2])-[O:7].[Cl:3]-[C:5](-[Cl:4])-[Cl:6]	6	7100,14057,34995,34996,35003,35005
+[N:1]#[C:2]-[c:3]>>[N:1](=[C:2]-[c:3])-[O:4]	6	7211,18234,19222,37734,50595,54761
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[c:6]):[n:7]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[c:6]):[n:7])-[Cl:8]	6	7357,12733,13892,14662,32500,32706
+[c:1]:1:[n:2]:[c:3](-[N:4](-[C:5])-[C:6]):[c:7](:[n:8]):[c:10](:[n:9]):[n:11]:1>>[N:4](-[C:5])-[C:6].[c:1]:1:[n:2]:[c:3](:[c:7](:[n:8]):[c:10](:[n:9]):[n:11]:1)-[Cl:12]	6	7359,13015,13734,14747,15594,19658
+[c:1](:[n:2]):[c:5]:1:[c:4](:[n:3]):[n:11]:[c:10]:[c:6]:1-[c:7](:[c:8]):[c:9]>>[c:1](:[n:2]):[c:5]:1:[c:4](:[n:3]):[n:11]:[c:10]:[c:6]:1-[I:21].[c:7](:[c:8])(:[c:9])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	6	7602,7603,9524,12270,13999,14627
+[C:1]-[O:10]-[S:7](-[c:6]:1:[c:5]:[c:4]:[c:3](-[C:2]):[c:12]:[c:11]:1)(=[O:8])=[O:9]>>[C:1]-[O:10].[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6](-[S:7](=[O:8])(=[O:9])-[O:21]-[S:18](-[c:17]:2:[c:16]:[c:15]:[c:14](-[C:13]):[c:23]:[c:22]:2)(=[O:19])=[O:20]):[c:11]:[c:12]:1	6	7620,52020,53989,53990,53991,53992
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[C:3](=[O:4])(-[C:5]=[C:6])-[O:7].[c:1]-[N:2]	6	7967,16526,16527,16529,33239,53113
+[c:1]:1:[c:2]:[o:3]:[c:4](-[Br:5]):[c:6]:1>>[Br:5]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1]:1:[c:2]:[o:3]:[c:4]:[c:6]:1	6	8168,8512,8632,8646,8728,8758
+[N:1](-[C:2]-[C:3](=[O:4])-[O:5])-[C:6]-[C:7]>>[C:6](-[C:7])=[O:8].[N:1]-[C:2]-[C:3](=[O:4])-[O:5]	6	8965,8968,18506,20390,23287,24862
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:7]:[c:8](:[c:9]):[n:12]:1:[c:11]:[c:10]>>[N:7]-[c:8](:[c:9]):[n:12]:[c:11]:[c:10].[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[C:6])=[O:13])-[Cl:14]	6	9025,9027,40376,40384,42459,43360
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:8]-[C:7]-[C:6]-[C:5]	6	9233,12280,16340,23782,38537,40330
+[c:1]:[c:3](:[c:2])-[C:4]=[C:5]-[C:6]>>[c:1]:[c:3]:[c:2].[C:4]#[C:5]-[C:6]	6	9293,17542,29778,51631,55202,55715
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2]-[O:12]-[S:9](-[c:8]:1:[c:7]:[c:6]:[c:5](-[C:4]):[c:14]:[c:13]:1)(=[O:10])=[O:11].[I:3]	6	9381,37163,40420,40458,40459,40460
+[c:1]-[C:2]-[C:3]-[C:4](=[O:5])-[N:6]>>[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[N:6]	6	9454,13969,14341,30225,38751,46198
+[N:1]#[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[N:1]#[C:2]-[C:3]-[Cl:7]	6	9603,9739,13876,14869,15153,41309
+[C:1]-[N:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:8](:[c:7]):[n:9]:1)-[C:10]>>[C:1]-[N:2]-[C:10].[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:8](:[c:7]):[n:9]:1)-[Cl:11]	6	9757,13824,15086,15539,19689,39421
+[c:1](:[n:2]):[c:4](:[c:3])-[c:5]:1:[n:6]:[c:7](:[c:8]:[c:10]:[n:11]:1):[c:9]>>[c:5]:1(:[n:6]:[c:7](:[c:8]:[c:10]:[n:11]:1):[c:9])-[Cl:21].[c:1](:[n:2]):[c:4](:[c:3])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	6	10004,14491,14493,15881,29047,29285
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[Cl:14].[C:1]-[N:2](-[C:6])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	6	10183,10593,10594,10595,18752,19475
+[C:1](-[N:2]-[N:3])(-[c:4]:[c:5]:[n:6])=[O:7]>>[N:2]-[N:3].[C:1](-[c:4]:[c:5]:[n:6])(=[O:7])-[O:8]	6	10263,11764,12448,23499,37929,42223
+[c:1]-[N:2](-[C:3](=[O:4])-[C:5](-[F:6])(-[F:7])-[F:8])-[C:9]>>[c:1]-[N:2]-[C:9].[C:3](=[O:4])(-[C:5](-[F:6])(-[F:7])-[F:8])-[O:12]-[C:11](=[O:10])-[C:13](-[F:14])(-[F:15])-[F:16]	6	10273,37308,37309,37319,37328,37335
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1](:[c:2]):[c:3].[O:4]-[B:5](-[O:6])-[O:10]-[C:8](-[C:7])-[C:9]	6	10304,11892,11969,28308,28309,28310
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[c:1]-[C:2](=[O:9])-[O:10].[N:3]-[c:4](:[c:5](:[c:6])-[O:8]):[c:7]	6	10311,42635,49523,50378,51878,53791
+[C:1](=[O:2])(-[C:3])-[O:4]>>[C:1](=[O:2])-[C:3].[O:4]-[C:6](-[C:5])(-[C:7])-[C:8]	6	10436,17917,17930,17938,17949,17988
+[N:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[C:7]-[c:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:6]-[C:5].[C:7](-[c:8])-[Br:9]	6	10550,26536,28880,28888,28889,52250
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2]-[O:8].[Cl:3]-[C:5](-[Cl:4])(-[Cl:6])-[Cl:7]	6	10718,33944,34863,34864,34865,34867
+[c:1](-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]:[n:10]>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11].[c:1](-[N:2]):[c:9]:[n:10]	6	10726,14554,14555,14556,14557,26214
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[F:9]	6	10742,12031,26185,26497,26532,38687
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:10]-[C:9].[c:1]-[N:2]	6	10879,20368,38573,41333,48810,52845
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5]):[c:6]:[n:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[c:6]:[n:7]:[c:8]:1)-[Br:9].[O:4]-[C:5]	6	10909,11397,16116,19534,32915,45675
+[c:1]-[S:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:6].[c:1]-[S:2]	6	10945,15379,29391,39024,39197,48807
+[O:1]=[C:2](-[N:3]-[c:4])-[N:5]-[C:6]>>[N:3]-[c:4].[N:5]-[C:6].[O:1]=[C:2](-[Cl:7])-[O:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	6	10982,10994,11006,11024,11063,22174
+[N:1]-[c:2]:[c:3]-[C:4](-[N:5]-[C:6])=[O:7]>>[N:5]-[C:6].[N:1]-1-[c:2]:[c:3]-[C:4](=[O:7])-[O:10]-[C:9]-1=[O:8]	6	11025,26953,29986,30154,36414,44509
+[n:1]:[c:2]:1:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]:[n:9]:[n:10]:1>>[N:6]-[C:7].[n:1]:[c:2]:1:[c:3](-[C:4](=[O:5])-[O:11]):[c:8]:[n:9]:[n:10]:1	6	11048,12311,17781,37480,46853,51574
+[C:1]-[N:2]-[C:3]-[C:4]-[C:5](=[O:6])-[O:7]>>[C:1]-[N:2].[C:3]=[C:4]-[C:5](=[O:6])-[O:7]	6	11074,16532,16543,18087,30130,30593
+[N:1]-[c:2](:[n:3]):[c:4]>>[N:1](-[c:2](:[n:3]):[c:4])=[N+:6]=[N-:5]	6	11209,31900,39660,47886,47894,47895
+[c:1]:[n:2]:[c:3](-[N:4]):[n:5]:[c:6]>>[c:1]:[n:2]:[c:3](:[n:5]:[c:6])-[Cl:7].[N:4]	6	11222,37019,37022,40773,40869,40970
+[C:1]-[O:2]-[C:3]=[O:4]>>[O:2]-[C:3]=[O:4].[C:1]=[N+:6]=[N-:5]	6	11418,16778,16779,16780,16781,16785
+[c:1]:1:[n:2]:[c:3](-[c:4]:2:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:2):[n:10]:[c:11]:[c:12]:1>>[c:1]:1:[n:2]:[c:3](:[n:10]:[c:11]:[c:12]:1)-[Cl:22].[c:4]:1(:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1)-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21]	6	11889,17465,17490,17534,17561,29260
+[c:1]-[N:2]-[C:4](-[C:3]#[N:7])(-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])=[O:12].[c:1]-[N:2].[C:3](#[N:7])-[Si:9](-[C:8])(-[C:10])-[C:11]	6	11910,11912,12336,33860,33866,33867
+[n:1]:[c:2]:[c:3]-[O:4]-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])-[O:8].[n:1]:[c:2]:[c:3]-[O:4]	6	11995,12526,23718,33250,46859,48535
+[C:1]-[N:2](-[c:3](:[n:4]):[c:5])-[C:6]>>[N:2](-[c:3](:[n:4]):[c:5])-[C:6].[C:1]-[I:7]	6	12515,18839,18840,24983,26860,31414
+[C:1](-[c:2](:[c:3]:[s:4]):[n:5])=[O:6]>>[C:1](-[c:2](:[c:3]:[s:4]):[n:5])-[O:6]	6	12656,42855,50719,50820,51505,51683
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[N:6]-[c:7])-[C:8](=[O:9])-[N:10]-[N:11]-1>>[N:6]-[c:7].[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:12])-[C:8](=[O:9])-[N:10]-[N:11]-1	6	12807,28444,42418,51269,54879,54880
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Cl:5].[c:1]-[N:2]	6	12941,14109,48778,48800,54864,54877
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[c:6]):[c:7]:[n:8]>>[C:4](=[O:5])(-[c:6])-[O:9].[n:1]:[c:2](-[N:3]):[c:7]:[n:8]	6	13047,13281,24855,36899,52709,52724
+[c:1]:[c:2]-1:[c:3](:[c:4])-[C:5]-[C:6]-[C:7]-[N:8]-1>>[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5]:[c:6]:[c:7]:[n:8]:1	6	13313,43589,50229,51434,51450,57248
+[c:1]-[N:3](-[C:2])-[C:4]>>[C:4]=[O:5].[c:1]-[N:3]-[C:2]	6	13314,16598,16622,16669,16676,16729
+[C:1]-[C:2](-[N:3])-[c:4]>>[C:1]-[C:2](-[c:4])=[O:7].[N:3]#[C:6]-[C:5]	6	13525,13974,14173,18736,41208,41215
+[c:1]:[c:2](-[C:3](-[N:4])=[O:5]):[s:6]>>[c:1]:[c:2](-[C:3](=[O:5])-[O:8]-[C:7]):[s:6].[N:4]	6	13603,14929,38603,38604,40128,40657
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1>>[C:2](=[O:3])(-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)-[O:9].[N:1]	6	13607,22081,25813,38620,40895,40988
+[S:1]=[C:2]-1-[N:3]-[c:4]:[c:5]-[N:6]-1>>[N:3]-[c:4]:[c:5]-[N:6].[S:1]=[C:2]=[S:7]	6	14027,15177,28750,47443,47444,47450
+[c:1]-[C:2]=[C:3]-[C:4]>>[c:1]-[C:2](-[C:3]-[C:4])-[O:5]	6	14106,28715,46035,52458,56751,56835
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6]-[c:7]):[n:8]:1>>[N:6]-[c:7].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:8]:1)-[S:11](=[O:9])(-[C:10])=[O:12]	6	14136,14263,39514,45316,46226,48362
+[N:1]-[C:2](=[O:3])-[C:4]>>[C:2](-[O:3])(-[C:4])=[O:5].[N:1]	6	14196,18554,23282,36263,36512,40854
+[n:1]:1:[c:2]:[c:3](:[c:4]:[c:6]:1:[n:5])-[I:7]>>[n:1]:1:[c:2]:[c:3]:[c:4]:[c:6]:1:[n:5].[I:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	6	14355,19343,23671,27336,44394,44405
+[O:1]=[S:2](=[O:3])(-[N:4]-[C:5])-[c:6]:[c:7]:[n:8]>>[N:4]-[C:5].[O:1]=[S:2](=[O:3])(-[c:6]:[c:7]:[n:8])-[Cl:9]	6	14407,17765,17766,21742,25900,37477
+[N:1]-[C:2](=[O:3])-[C:4](=[O:5])-[C:6]>>[N:1]-[C:2](=[O:3])-[C:4](-[O:5])-[C:6]	6	14463,46806,52232,52241,56325,56331
+[O:1]-[C:2]-[c:3](:[c:4]):[s:5]>>[O:1]=[C:2]-[c:3](:[c:4]):[s:5]	6	14500,29839,30928,51412,53249,56173
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[N:8](-[C:9])(-[C:10])-[C:23]-[c:22]:1:[c:21]:[c:20]:[c:19]:[c:25]:[c:24]:1.[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:18]-[C:16](-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14])=[O:17]	6	14525,20972,21212,21213,21225,21322
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[c:1]-[N:2]=[C:3]=[S:4]	6	14668,15001,26531,41563,52889,52890
+[O:1]=[C:2](-[C:3])-[c:4]>>[O:1]-1-[C:2](-[C:3])(-[c:4])-[O:7]-[C:5]-[C:6]-1	6	15280,15287,15289,43793,54023,54025
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1):[c:9]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1)-[Br:10].[c:1]:[c:2](:[c:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	6	15419,28358,28433,28961,28965,29206
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]:[n:8]):[c:10]:[n:9]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6](:[c:7]:[n:8]):[c:10]:[n:9])-[O:11]	6	15420,15588,15589,15653,15762,16009
+[c:1]:[c:2](-[N:3]-[c:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[Cl:6].[N:3]-[c:4]	6	15507,16057,35988,48392,48850,54881
+[C:1]-1(=[C:2]-[N:3]-[C:4]-[C:5](-[N:6])=[C:7]-1)-[B:9](-[O:8])-[O:10]>>[C:1]-1(=[C:2]-[N:3]-[C:4]-[C:5](-[N:6])=[C:7]-1)-[Br:11].[O:8]-[B:9](-[O:10])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	6	15788,16339,27995,28002,28132,28282
+[c:1]:[c:2]:[n:3]:[c:4]:[c:5]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[Cl:6]	6	15852,38401,48537,49559,51293,54502
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[I:9].[c:3]:1(:[c:4]:[c:5]:[c:6]:[s:7]:1)-[B:11](-[O:10])-[O:12]	6	15863,19764,34615,38575,46575,46796
+[n:1]:[c:2]:[c:3]-[N:4]-[S:5](-[C:6])(=[O:7])=[O:8]>>[n:1]:[c:2]:[c:3]-[N:4].[S:5](-[C:6])(=[O:7])(=[O:8])-[Cl:9]	6	15910,42546,42733,44903,45117,45337
+[C:1]-[C:2](=[N:3]-[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[C:2](-[c:5]:[c:6]:[n:7])=[O:8].[N:3]-[O:4]	6	15954,17113,35861,47071,47163,47192
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5].[C:1]-[C:2](=[O:3])-[O:8]-[C:7]-[C:6]	6	16287,39496,47046,47119,47146,47168
+[C:1](-[O:2])-[C:3]-[n:4]:1:[c:5]:[n:6]:[c:7]:[n:8]:1>>[C:1]-1-[O:2]-[C:3]-1.[n:4]:1:[c:5]:[n:6]:[c:7]:[n:8]:1	6	16311,16312,37160,54557,55236,55610
+[n:1]:1:[c:2](-[C:3]=[O:4]):[n:5]:[c:6]:[c:7]:1>>[n:1]:1:[c:2]:[n:5]:[c:6]:[c:7]:1.[C:3](=[O:4])-[N:9](-[C:8])-[C:10]	6	16552,17732,32041,32093,32185,32202
+[C:1]-[C:2](-[O:3])(-[c:4])-[C:5](-[F:6])(-[F:7])-[F:8]>>[C:1]-[C:2](=[O:3])-[c:4].[C:5](-[F:6])(-[F:7])(-[F:8])-[Si:10](-[C:9])(-[C:11])-[C:12]	6	17131,27957,38336,38338,38339,38341
+[c:1](:[c:2]):[n:6]:[c:4](:[c:3])-[N:5]>>[c:1](:[c:2]):[n:6]:[c:4](:[c:3])-[Br:7].[N:5]	6	17165,26091,27857,27876,40749,40801
+[C:1](=[N:2]-[c:3])=[S:4]>>[N:2]-[c:3].[C:1](=[S:4])(-[N:11]-1-[C:6](=[O:5])-[C:7]=[C:8]-[C:9]=[C:10]-1)-[N:12]-2-[C:13]=[C:14]-[C:15]=[C:16]-[C:17]-2=[O:18]	6	17371,17373,17374,23971,37675,42615
+[c:1]-[C:2](-[C:3])-[C:4]>>[c:1]-[C:2](=[C:3])-[C:4]	6	17626,19281,22195,24050,33407,55939
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[N:2]=[C:3]=[S:4].[N:5](-[C:6])-[C:7]	6	17815,32549,32550,32555,32558,32559
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[c:7]:[s:8]:1>>[c:1]:1:[c:2](:[c:6]:[c:7]:[s:8]:1)-[B:11](-[O:10])-[O:12].[c:3](:[c:4])(:[c:5])-[Br:9]	6	17864,46751,46752,46753,46754,46755
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[S:13](-[c:12]:1:[c:7](-[N+:5](=[O:4])-[O-:6]):[c:8]:[c:9]:[c:10]:[c:11]:1)(=[O:14])=[O:15]	6	18188,21633,24978,32345,45542,45605
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:[c:9]:1-[N:8]-[N:7]>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:[c:9]:1-[Cl:10].[N:7]-[N:8]	6	18455,23679,36948,42225,42228,42233
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]-[C:8](=[O:9])-[O:10]>>[N:5](-[C:6])-[C:7]-[C:8](=[O:9])-[O:10].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:11]	6	18675,18676,21718,21719,27097,53930
+[N:1]-[C:2]-[C:3](=[O:4])-[O:5]>>[N:1](-[C:2]-[C:3](=[O:4])-[O:5])-[C:7](=[O:6])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	6	18988,28744,54250,56435,56513,56518
+[C:1]-[C:2](-[C:3])(-[C:4])-[C:5](=[O:6])-[O:7]>>[C:1]-[C:2](-[C:4])-[C:5](=[O:6])-[O:7].[C:3]-[I:8]	6	19039,22547,24700,25072,25802,31461
+[n:1]:[c:2]:1:[c:3](-[I:4]):[c:5]:[n:6]:[n:7]:1>>[n:1]:[c:2]:1:[c:3]:[c:5]:[n:6]:[n:7]:1.[I:4]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	6	19442,33932,36807,40308,44413,44420
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[c:6]>>[N:1]-[C:2](=[O:3])-[C:4]-[Cl:7].[N:5]-[c:6]	6	19548,34059,43563,45933,46010,46066
+[C:1]-[O:6].[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]-[O:6]-[C:3](-[C:2])=[O:4].[O:5]	6	19943,19944,19947,20050,42888,42996
+[C:1]-[C:2]-[c:3]>>[C:1]=[C:2]-[c:3]	6	20201,35876,44672,44779,48421,50194
+[C:1]-[C:2](-[O:3])-[c:4](:[n:5]):[c:6]>>[C:1]-[C:2](=[O:3])-[c:4](:[n:5]):[c:6]	6	20408,24470,36818,39332,50262,50390
+[C:1]-[C:2]-[O:3]-[N:4](-[C:6]=[O:5])-[C:7]=[O:8]>>[C:1]-[C:2]-[O:9].[O:3]-[N:4](-[C:6]=[O:5])-[C:7]=[O:8]	6	20533,24375,27282,39841,45987,50767
+[c:1](:[n:2]:[c:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1):[c:9]):[c:10]>>[c:1](:[n:2]:[c:3](:[c:9])-[Cl:20]):[c:10].[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19]	6	20591,22842,26611,28489,28516,28519
+[O:1]=[C:2](-[C:3]-[C:4](-[c:5])=[O:8])-[N:7]-[c:6]>>[c:6]-[N:7].[O:1]=[C:2]-1-[C:3]=[C:4](-[c:5])-[O:8]-[C:10](-[C:9])(-[C:11])-[O:12]-1	6	20659,20674,20676,20682,20683,24075
+[N:1]-[c:2](:[n:3]):[s:4]>>[N:1](-[c:2](:[n:3]):[s:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]	6	20867,20868,20877,20880,24212,24218
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[C:7](=[O:8])(-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])-[O:21]-[C:19](-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])=[O:20].[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1	6	20967,21134,21141,21149,21157,21169
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17]>>[C:4](=[O:5])(-[O:13]-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12])-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17].[c:1]-[C:2]#[N:3]	6	20978,21117,21240,21241,21246,21257
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:10](=[O:11])-[O:19]-[C:16](-[C:15])(-[C:17])-[C:18].[C:1]-[N:2]=[N+:14]=[N-:13]	6	21067,21068,21069,21234,21282,21333
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[c:7]:[s:8]:1>>[c:3](:[c:4])(:[c:5])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:1]:1:[c:2](:[c:6]:[c:7]:[s:8]:1)-[Br:9]	6	21546,25747,29074,29097,29214,29229
+[O:1]=[C:2](-[N:3]-[C:4]-[C:6](-[N:5])=[O:7])-[O:8]>>[N:3]-[C:4]-[C:6](-[N:5])=[O:7].[O:1]=[C:2](-[O:8])-[Cl:9]	6	21592,26242,26465,26643,30807,52023
+[n:1]:1:[c:2]:[c:3](-[N:4]-[C:5](=[O:6])-[c:7]):[c:8]:[n:9]:1>>[C:5](=[O:6])(-[c:7])-[O:10].[n:1]:1:[c:2]:[c:3](-[N:4]):[c:8]:[n:9]:1	6	21872,23560,30879,42525,42542,48255
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]-[O:4].[O-:3]-[Cl+:6]-[O:5]	6	22277,23491,26895,47007,47014,47015
+[n:1]:[c:2](-[C:3]=[O:5]):[c:4]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:8]-[C:7]-[C:6]):[c:4]	6	22358,25809,25810,37915,48279,53369
+[C:1]#[C:2]-[C:3]>>[C:1](#[C:2]-[C:3])-[Si:5](-[C:4])(-[C:6])-[C:7]	6	22484,33723,33724,33725,33726,33731
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6]):[n:7]:1>>[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:7]:1)-[S:9](-[C:8])(=[O:10])=[O:11].[N:6]	6	22949,27676,38327,40673,40674,40675
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2]-[I:5].[C:3]#[N:4]	6	23464,33554,41061,41062,41132,41167
+[c:1]:1:[n:2]:[c:3](-[N:4]-[c:5]):[c:6]:[n:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[c:6]:[n:7]:[c:8]:1)-[Cl:9].[N:4]-[c:5]	6	23543,23556,29695,36799,37810,40188
+[c:1]:1:[c:2](-[C:3]-[O:4]-[c:5]):[c:6]:[n:7]:[o:8]:1>>[c:1]:1:[c:2](-[C:3]-[Cl:9]):[c:6]:[n:7]:[o:8]:1.[O:4]-[c:5]	6	24388,29181,48583,48584,48585,48586
+[C:1]-[O:2]>>[C:1]-[O:2]-[Si:3]-[C:5](-[C:4])(-[C:6])-[C:7]	6	24462,24464,24475,52076,52087,52088
+[c:1]-[C:2]-1-[C:3]-[C:4]-[N:5]-[C:6]-[C:7]-1>>[c:1]-[c:2]:1:[c:3]:[c:4]:[n:5]:[c:6]:[c:7]:1	6	25307,39297,55595,57061,57063,57066
+[n:1]:[n:2]:1:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]:[c:9]:1:[c:10]>>[n:1]:[n:2]:1:[c:3](:[c:7]:[n:8]:[c:9]:1:[c:10])-[Br:11].[c:4](:[c:5])(:[c:6])-[B:13](-[O:12])-[O:14]	6	26050,27259,46500,46697,54329,54700
+[N:1]-1-[c:2]:[c:4](:[c:3])-[C:5](-[C:6])(-[C:7])-[C:8]-[C:9]-1-[c:10]>>[C:5](-[C:6])(-[C:7])=[C:8].[N:1]-[c:2]:[c:4]:[c:3].[C:9](-[c:10])=[O:11]	6	26223,26224,26226,26227,26228,26229
+[c:1]-[C:2](-[O:3]-[C:6])-[O:5]-[C:4]>>[c:1]-[C:2]=[O:5].[O:3](-[C:6])-[C:9](-[O:8]-[C:7])-[O:10]-[C:4]	6	27287,43191,43197,43199,43203,43207
+[O:1]-[C:2]=[C:3]-[c:4]>>[C:3](-[c:4])=[O:5].[O:1]-[C:2]-[P+:10](-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:24]:[c:23]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:3	6	27585,27696,44638,49353,49706,53207
+[c:1]:1-[N:2]-[C:3](-[C:4](-[c:5]:1:[c:6])=[O:8])=[O:7]>>[c:1](-[N:2]-[C:3](-[C:4]=[N:9]-[O:8])=[O:7]):[c:5]:[c:6]	6	27633,41436,41448,49289,50551,54802
+[c:1]:1:[c:2](:[c:3]:[n:4]:[n:5]:1)-[I:6]>>[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1.[I:6]-[I:7]	6	27931,40510,40520,40556,40571,40581
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]):[c:9]:[n:8]):[c:10]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:10]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20].[c:6](:[c:7])(:[c:9]:[n:8])-[Br:11]	6	28395,28482,28484,28486,28973,29013
+[c:1]-[C:2]#[N:3]>>[c:1]-[C:2]=[O:4].[N:3]-[O:5]	6	28746,38003,44648,44666,44682,47030
+[N:1](-[c:2])-[S:3](=[O:4])(=[O:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[N:1]-[c:2].[S:3](=[O:4])(=[O:5])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:16]-[S:14](=[O:13])(=[O:15])-[C:17](-[F:10])(-[F:11])-[F:12]	6	28783,35925,35997,38228,38233,38235
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[c:1]-[C:2](=[N:3]-[O:4])-[Cl:12].[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11]	6	28899,29466,29467,29468,35023,37649
+[n:1]:[c:2](-[O:3]-[C:4]-[c:5]):[c:6]>>[n:1]:[c:2](-[O:3]):[c:6].[C:4](-[c:5])-[Br:7]	6	29026,30586,34341,46224,48753,49764
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7](:[c:8]):[s:10]:1):[c:9]>>[C:5](-[c:6](:[c:7](:[c:8])-[F:12]):[c:9])=[O:11].[O:1]-[C:2](=[O:3])-[C:4]-[S:10]	6	29631,38757,44646,44711,44718,47492
+[C:1](-[N:2])-[C:3]=[C:4]>>[C:1](-[N:2]=[N+:6]=[N-:5])-[C:3]=[C:4]	6	29703,47833,50549,52875,56386,56571
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[s:8]>>[C:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[c:6](:[c:7]):[s:8])-[Cl:9]	6	29716,29875,37476,37795,42140,46133
+[c:1]:1:[c:2]:[n:3](:[n:4]:[c:5]:1)-[C:7]-[O:6]>>[O:6]-[C:7]-[Cl:8].[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1	6	30853,33901,33920,33922,33924,33928
+[c:1]:[c:2](-[C:3]-[c:4]):[s:5]>>[c:1]:[c:2](-[C:3](-[c:4])-[O:6]):[s:5]	6	31235,33294,33415,45901,45971,56066
+[C:1]-[C:2]-[C:3](-[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[C:2]-[Mg:9]-[Br:8].[C:3](=[O:4])-[c:5]:[c:6]:[n:7]	6	31266,31269,31270,31272,31280,49696
+[C:1]-1=[C:2]-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]-1>>[C:7]-[I:9].[C:1]-1=[C:2]-[N:3]-[C:4](=[O:5])-[N:6]-[C:8]-1	6	31426,31429,31445,31447,31456,31460
+[N:1]#[C:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:3](-[c:4]:[c:5]:[n:6])-[N:8](-[C:7])-[C:9].[N:1]#[C:2]	6	32423,32424,32425,32426,32427,32428
+[O:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[O:1]-[C:2]-[Cl:9].[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	6	33906,33907,33908,33914,33918,33927
+[O:1]-[c:2]>>[O:1](-[c:2])-[C:7]-[O:6]-[C:5]-[C:4]-[Si:9](-[C:3])(-[C:8])-[C:10]	6	33942,33943,33946,33948,33950,33952
+[c:1]-[C:2]-1-[O:3]-[C:4]-[C:5]-[O:6]-1>>[c:1]-[C:2]=[O:3].[C:4](-[C:5]-[O:6])-[O:7]	6	34089,43572,46952,46962,46976,46977
+[C:1](-[c:2](:[c:3]):[n:4])=[O:5]>>[C:1](-[c:2](:[c:3]):[n:4])=[C:6].[O:5]=[Os:8](=[O:7])(=[O:9])=[O:10]	6	34108,38422,40279,46325,46326,46333
+[c:1]:[c:2](:[c:3])-[O:4]>>[c:1]:[c:2](:[c:3])-[C:5]=[O:4]	6	34334,48467,49898,54150,55350,56775
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[n:9]>>[c:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[n:9])-[Cl:10]	6	34491,34493,34494,34495,49351,55061
+[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:5]>>[Cl:5]-[S:7](=[O:6])-[Cl:8].[C:1]-[S:2](=[O:3])(=[O:4])-[O:9]	6	35616,35617,35618,35775,35826,35832
+[C:1](-[c:2])(-[c:3])-[Cl:4]>>[Cl:4]-[S:6](=[O:5])-[Cl:7].[C:1](-[c:2])(-[c:3])-[O:8]	6	35699,35788,35789,35790,35817,35819
+[c:1]-[n:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[N:2].[N-:4]=[N+:5]=[N-:6].[C:3](-[O:7]-[C:8])(-[O:10]-[C:9])-[O:11]-[C:12]	6	36087,36350,43192,43193,43194,43195
+[c:1]-[C:4]-[C:3]-[c:2]>>[c:1]-[C:4]=[C:3]-[c:2]	6	36738,38624,51382,54100,54103,55618
+[c:1]:[c:2](-[N:3]-[c:4]):[n:5]:[n:6]>>[N:3]-[c:4].[c:1]:[c:2](:[n:5]:[n:6])-[Cl:7]	6	36794,49837,49974,54505,55333,55375
+[c:1]:[c:3](:[c:2])-[n:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1>>[n:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1.[c:1]:[c:3](:[c:2])-[I:9]	6	36806,38987,44320,50816,54832,54833
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2]-[I:6].[N-:3]=[N+:5]=[N-:4]	6	37164,47901,48036,48044,48060,48066
+[c:1]-[C:2]-1-[C:3]-[C:4]-[C:5]-[N:6]-[C:7]-1>>[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:7]:1	6	39259,45261,50317,53237,53245,55792
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:8]:1-[c:7]>>[C:1]-[C:2](-[N:3]-[N:4])=[O:9].[C:5](-[C:6])(-[N:8]-[c:7])=[S:10]	6	41278,41695,41698,42336,42338,42341
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[n:6]:[c:7]:[c:8]:[c:9]:[c:10]:1:2>>[N:1]#[C:2]-[c:10]:1:[c:5](:[n:6]:[c:7]:[c:8]:[c:9]:1)-[Cl:11].[N:3]-[N:4]	6	41326,41350,42183,42235,42247,42320
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:1]-[N:2]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7].[C:3](=[O:9])-[O:10]	6	41479,41555,46892,46893,46898,46902
+[O:1]-[C:2]-1=[C:3](-[O:4])-[C:5](=[O:6])-[C:7](-[C:8])=[C:9](-[C:10])-[C:11]-1=[O:12]>>[O:1]-[c:2]:1:[c:3](-[O:4]):[c:5](-[O:6]-[C:13]):[c:7](-[C:8]):[c:9](-[C:10]):[c:11]:1-[O:12]-[C:14]	6	43267,49951,52685,54237,55093,55848
+[O:1]=[C:2](-[O:3])-[c:4]:[c:5]:[n:6]>>[O-:3]-[Cl+:8]-[O:7].[O:1]=[C:2]-[c:4]:[c:5]:[n:6]	6	44683,47009,47010,47011,47012,47013
+[n:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[c:7]:1:[c:6]>>[N:1]-1-[C:2]-[C:3]-[c:4](:[c:5]):[c:7]-1:[c:6]	6	47819,48415,49112,49966,50000,51667
+[N:1]#[C:2]-[c:3]:[c:4]:[n:5]>>[N:1](=[C:2]-[c:3]:[c:4]:[n:5])-[O:6]	6	48142,48155,49801,49853,50167,51402
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:7](-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:21]:[c:20]:1)(-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3	6	52096,52097,52100,52103,52104,56094
+[n:1]:[c:2]:[c:3](:[c:4])-[Br:5]>>[Br:5].[n:1]:[c:2]:[c:3](:[c:4])-[N:6]	5	18,42,61,80,100
+[C:1](=[O:2])(-[C:3]-[O:4]-[c:5]:[c:7]:[n:6])-[O:8]>>[O:4]-[c:5]:[c:7]:[n:6].[C:1](=[O:2])(-[C:3]-[Br:9])-[O:8]	5	639,645,687,690,18154
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:7]-[C:8](=[O:9])-[O:10]>>[C:7](-[C:8](=[O:9])-[O:10])-[Br:11].[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1	5	642,12415,30669,30702,30717
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7]-[C:8](=[O:9])-[O:10]>>[C:7](-[C:8](=[O:9])-[O:10])-[Br:11].[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1	5	647,709,17579,18106,18144
+[C:1]-[N:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])-[Br:7].[C:1]-[N:2]	5	662,672,2490,10991,11009
+[c:1]:1:[n:2]:[n:3](-[C:4]-[C:5](=[O:6])-[N:7]):[c:8]:[c:9]:1>>[C:4](-[C:5](=[O:6])-[N:7])-[Br:10].[c:1]:1:[n:2]:[n:3]:[c:8]:[c:9]:1	5	725,25706,39871,39873,39874
+[C:1](-[C:2]#[N:3])-[c:4](:[n:5]):[c:6]>>[C:1](-[c:4](:[n:5]):[c:6])-[Br:7].[C:2]#[N:3]	5	900,36330,41028,41099,41165
+[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[Br:6]>>[Br:6]-[P:10](-[Br:7])(=[O:9])-[Br:11].[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[O:8]	5	924,927,928,929,930
+[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[I:6]>>[c:1]:[c:2]:[n:3]:[c:4]:[c:5].[I:6]-[I:7]	5	1052,25114,40511,40514,40517
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]=[O:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[N:3](-[C:4])-[C:5]=[O:6]	5	1113,1114,1116,48236,54705
+[C:1]-[N:2](-[C:3])-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1>>[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Br:10].[C:1]-[N:2]-[C:3]	5	1187,7818,15703,16384,37048
+[N:1](-[C:2]-[c:3](:[c:4]):[s:5])-[C:6]>>[C:2](-[c:3](:[c:4]):[s:5])=[O:7].[N:1]-[C:6]	5	1246,4218,14503,41781,44820
+[C:1]-[C:2]#[C:3]-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1>>[C:1]-[C:2]#[C:3].[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[I:10]	5	1264,1332,23482,23483,33936
+[O:1]=[C:2](-[O:3]-[C:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[O:3]-[C:4].[O:1]=[C:2](-[n:13]:1:[c:9]:[n:10]:[c:11]:[c:12]:1)-[n:14]:2:[c:8]:[n:17]:[c:16]:[c:15]:2	5	1340,11737,11959,15836,22253
+[C:1]-[N:2](-[C:3]-[C:4]#[C:5]-[C:6])-[C:7]>>[C:3]=[O:8].[C:1]-[N:2]-[C:7].[C:4]#[C:5]-[C:6]	5	1341,1381,12673,14655,16746
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:7]-[C:8]-[C:9]#[C:10]>>[O:7]-[C:8]-[C:9]#[C:10].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:11]	5	1395,1397,5094,5095,26043
+[c:1]-[C:2](-[O:3])-[C:4]#[C:5]>>[c:1]-[C:2]=[O:3].[C:4](#[C:5])-[Mg:7]-[Br:6]	5	1420,1421,1422,1423,51726
+[C:1]#[C:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]>>[C:1]#[C:2].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[Br:8]	5	1429,25762,48775,50664,57129
+[c:1]:1-[C:2]-[N:3](-[c:4])-[C:5](=[O:6])-[c:7]:1>>[N:3]-[c:4].[c:1](-[C:2]-[Br:11]):[c:7]-[C:5](=[O:6])-[O:10]-[C:9]-[C:8]	5	1504,6105,18058,18059,36076
+[C:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:7](-[N:6])=[O:8]>>[C:1]-[C:2]-[Br:9].[N:3](-[C:4]=[O:5])-[C:7](-[N:6])=[O:8]	5	1552,6711,24951,41301,46945
+[C:1]=[C:2]-[C:3]-[N:4]-[C:5](-[C:6])=[O:7]>>[C:1]=[C:2]-[C:3]-[N:4].[C:5](-[C:6])(=[O:7])-[O:8]	5	1570,3667,5656,18934,22025
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[O:2].[C:3](-[c:4])-[O:9]-[C:8](=[N:7])-[C:10](-[Cl:5])(-[Cl:6])-[Cl:11]	5	1695,7970,9483,24933,34849
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[s:7]>>[C:1]-[C:2](=[O:3])-[O:8].[N:4]-[c:5](:[c:6]):[s:7]	5	1701,2824,29546,37380,39586
+[N:1](-[C:2](-[C:3])-[C:4])-[c:5](:[n:6]):[n:7]>>[C:2](-[C:3])(-[C:4])=[O:8].[N:1]-[c:5](:[n:6]):[n:7]	5	1703,10136,10137,10138,43836
+[c:1]-[C:2](-[N:3])-[C:4]-[C:5](=[O:6])-[O:7]>>[C:4](-[C:5](=[O:6])-[O:7])-[C:9](=[O:8])-[O:10].[c:1]-[C:2]=[O:11].[N:3]	5	1755,1762,1763,1764,1765
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[O:9]):[n:10]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:13]-[C:12]-[C:11]):[n:10].[N:5]-[C:6]-[C:7](=[O:8])-[O:9]	5	1873,44055,44056,44062,44066
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[s:8]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5]-[c:6](:[n:7]):[s:8]	5	1955,1970,1971,1972,1978
+[C:1]-[C:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Br:7].[C:1]-[C:2]=[O:3]	5	2024,10751,21975,27564,29801
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])-[Br:4].[O:3]	5	2159,7224,42953,42957,42983
+[c:1]:1:[n:2]:[c:3]:[c:5](:[n:4]):[n:6]:1-[C:7]-[c:8]>>[c:1]:1:[n:2]:[c:3]:[c:5](:[n:4]):[n:6]:1.[C:7](-[c:8])-[Br:9]	5	2162,6417,6508,14601,49205
+[c:1]:1:[c:2]:[n:3]:[n:4](-[C:5]-[c:6]):[c:7]:1:[n:8]>>[C:5](-[c:6])-[Br:9].[c:1]:1:[c:2]:[n:3]:[n:4]:[c:7]:1:[n:8]	5	2166,2532,30876,37044,40632
+[N:1]#[C:2]-[C:3]-1(-[c:4])-[C:5]-[C:6]-1>>[C:5](-[C:6]-[Br:8])-[Cl:7].[N:1]#[C:2]-[C:3]-[c:4]	5	2199,3721,3730,3733,3742
+[c:1]:1:[c:2](-[C:3](=[O:4])-[C:5]):[c:6]:[c:7]:[s:8]:1>>[C:3](=[O:4])(-[C:5])-[Cl:9].[c:1]:1:[c:2]:[c:6]:[c:7]:[s:8]:1	5	2426,26582,29857,49587,52370
+[O:1]=[C:2](-[Cl:3])-[c:4](:[c:5]):[s:6]>>[Cl:3]-[C:10](-[C:8](=[O:7])-[Cl:9])=[O:11].[O:1]=[C:2](-[c:4](:[c:5]):[s:6])-[O:12]	5	2575,2644,2707,2723,2760
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[C:7](=[O:8])-[C:9]):[c:10]>>[C:4](=[O:5])(-[C:12](=[O:11])-[Cl:13])-[Cl:14].[N:6]-[C:7](=[O:8])-[C:9].[n:1]:[c:2](-[N:3]):[c:10]	5	2581,2597,2598,2599,2616
+[C:1](-[N:2]=[C:3]=[O:4])=[O:5]>>[C:3](=[O:4])(-[C:7](=[O:6])-[Cl:8])-[Cl:9].[C:1](-[N:2])=[O:5]	5	2638,2642,2643,2662,2687
+[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:5]>>[Cl:5]-[C:9](-[C:7](=[O:6])-[Cl:8])=[O:10].[c:1]-[S:2](=[O:3])(=[O:4])-[O:11]	5	2672,2673,2676,2680,2746
+[c:1]-[C:2]-1=[C:3](-[c:4]:[c:5]:[n:6])-[C:7](=[O:8])-[N:9]-[C:10]-1=[O:11]>>[C:3](-[c:4]:[c:5]:[n:6])(-[C:7](=[O:8])-[O:13]-[C:12])=[O:14].[c:1]-[C:2]-[C:10](-[N:9])=[O:11]	5	2780,2782,32434,32438,32441
+[C:1](=[O:2])-[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[C:1](=[O:2])-[C:3].[C:4]=[O:8].[N:5](-[C:6])-[C:7]	5	2850,15535,16632,16635,16637
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:9]:[c:8](:[n:5]:1)-[N:6]-[c:7]>>[c:1]:[c:4]:1:[c:3](:[c:2]):[n:9]:[c:8](:[n:5]:1)-[Cl:10].[N:6]-[c:7]	5	2916,2923,3015,3533,38820
+[c:1]-[C:2]=[C:3](-[C:4](=[O:5])-[N:6])-[c:7]>>[c:1]-[C:2]=[O:8].[C:3](-[C:4](=[O:5])-[N:6])-[c:7]	5	2949,7076,7740,36388,36460
+[C:1](-[c:2](:[c:3]):[c:4])=[C:14]>>[c:2](:[c:3])(:[c:4])-[I:13].[C:1](=[C:14])-[Sn:19](-[C:5]-[C:6]-[C:7]-[C:8])(-[C:9]-[C:10]-[C:11]-[C:12])-[C:18]-[C:17]-[C:16]-[C:15]	5	2967,2974,2975,2987,2989
+[c:1]:[c:2](-[N:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[C:20](=[O:19])-[O:21].[N:3](-[P:5](=[O:6])(-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)=[N+:23]=[N-:22]	5	3036,7461,10504,19554,50889
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]=[O:6]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5]=[O:6])-[Cl:7]	5	3124,4815,9589,14724,14725
+[C:1]-[N:2](-[C:3])-[C:4](-[C:5])-[C:6]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(-[C:6])-[O:11]-[S:8](-[C:7])(=[O:9])=[O:10]	5	3128,12719,15056,30006,37232
+[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[c:8]):[s:9]>>[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:10]):[s:9].[N:7]-[c:8]	5	3209,8822,15504,38663,42680
+[c:1]:[c:2](-[C:3]-[C:4](-[c:5])=[O:7]):[n:6]>>[C:4](-[c:5])(=[O:7])-[O:10]-[C:9]-[C:8].[c:1]:[c:2](-[C:3]):[n:6]	5	3258,37058,37060,48596,50460
+[S:1]-[c:2]:1:[c:3](-[C:4]):[n:5]:[c:6](:[c:7]):[c:9]:1:[c:8]>>[S:1]-[C:2]-[C:3](-[C:4])=[O:11].[N:5](-[c:6](:[c:7]):[c:9]:[c:8])-[N:10]	5	3262,3263,6558,36232,49423
+[n:1]:[c:2]:[c:3](-[C:4]-[O:6]):[s:5]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:6])-[O:9]-[C:8]-[C:7]):[s:5]	5	3271,9036,24223,34636,39318
+[n:1]:[c:3]:1:[c:2]:[c:7](:[n:6]:[c:5]:[c:4]:1)-[N:8]-[c:9]>>[n:1]:[c:3]:1:[c:2]:[c:7](:[n:6]:[c:5]:[c:4]:1)-[Cl:10].[N:8]-[c:9]	5	3342,14331,22213,22414,36791
+[c:1]-[O:2]-[Si:5](-[c:3])(-[C:4])-[c:6]>>[c:1]-[O:2].[c:3]-[Si:5](-[C:4])(-[c:6])-[Cl:7]	5	3344,36452,43279,49404,50221
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[n:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[n:7])-[O:10]-[C:9]-[C:8].[C:1]-[N:2]	5	3431,21642,32291,36279,36280
+[C:1]-[C:2]-[Cl:3]>>[C:1]-[C:2]-[O:6].[Cl:3]-[S:8](=[O:4])(=[O:5])-[C:7]	5	3574,7297,22278,22305,23163
+[N:1]-[C:7](-[C:6]-[N:3](-[C:2])-[C:4]-[C:5])=[O:8]>>[C:4](-[C:5])-[Br:9].[N:1]-[C:7](-[C:6]-[N:3]-[C:2])=[O:8]	5	3762,7101,16184,16188,41615
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1]:[c:2]:[c:3].[O:4](-[B:5](-[O:6]-[C:12](-[C:13])-[C:14])-[O:8]-[C:16](-[C:7])-[C:15])-[C:9](-[C:10])-[C:11]	5	3844,4039,11970,27197,27209
+[C:1]=[C:2](-[c:3](:[c:4]):[c:5])-[C:6](=[O:7])-[N:8]>>[C:1]=[C:2](-[C:6](=[O:7])-[N:8])-[Br:14].[c:3](:[c:4])(:[c:5])-[Sn:19](-[C:10]-[C:11]-[C:12]-[C:13])(-[C:18]-[C:17]-[C:16]-[C:15])-[C:20]-[C:21]-[C:22]-[C:9]	5	3848,3849,3850,3851,38866
+[C:1]-[C:2]=[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]=[C:3]-[Sn:12](-[C:11]-[C:10]-[C:9]-[C:8])(-[C:13]-[C:14]-[C:15]-[C:16])-[C:17]-[C:18]-[C:19]-[C:20].[c:4](:[c:5])(:[c:6])-[Br:7]	5	3987,3988,3989,3990,4274
+[C:1]-[C:2](-[c:3](:[c:4]):[c:5])-[O:6]>>[C:1]-[C:2]=[O:6].[c:3](:[c:4]):[c:5]	5	4013,4014,26549,29799,49167
+[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[O:7])-[C:6]>>[C:1]-[C:2](-[C:6])=[O:14].[C:3](-[C:4](=[O:5])-[O:7])-[P:10](-[O:9]-[C:8])(=[O:11])-[O:12]-[C:13]	5	4025,13364,27521,33272,33274
+[C:1]-[C:2]=[C:3]-[c:4](:[c:5]):[c:7]:[n:6]>>[C:1]-[C:2]=[C:3].[c:4](:[c:5])(:[c:7]:[n:6])-[Br:8]	5	4056,18397,18398,27428,46839
+[C:1]-[C:2]-[O:3]-[C:4]>>[C:1]-[C:2]-[O:5].[O:3]-[C:4]	5	4057,4241,5201,26092,37908
+[C:1]-[C:2]=[C:3]-[C:4]>>[C:3](-[C:4])=[O:5].[C:1]-[C:2]-[P+:10](-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:24]:[c:23]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:3	5	4081,6141,9563,12293,24924
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[o:7]:1>>[C:1]-[C:2](-[N:3]-[N:4])=[O:7].[C:5](#[N:6])-[Br:8]	5	4130,37367,37368,41194,41202
+[Cl:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:4].[Cl:1]	5	4167,14127,26016,34797,34803
+[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1-[C:7]-[C:8]>>[C:7](-[C:8])-[I:9].[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1	5	4188,7700,28575,30052,30109
+[C:1]-[O:2]-[c:3](:[c:4]:[c:6]:[n:5]):[c:7]>>[C:1]-[O:2].[c:3](:[c:4]:[c:6]:[n:5])(:[c:7])-[O:8]	5	4356,5646,5647,21830,41638
+[c:1]-[C:2]=[C:3]-[c:4]>>[c:1]-[C:2]=[O:5].[C:3](-[c:4])-[P+:10](-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:24]:[c:23]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:3	5	4375,44807,45556,51024,51052
+[C:1]-1-[C:2]-[O:3]-[C:4](-[C:5])(-[C:6])-[O:7]-1>>[C:1](-[C:2]-[O:3])-[O:7].[C:4](-[C:5])(-[C:6])(-[O:9]-[C:8])-[O:10]-[C:11]	5	4547,33206,33207,33208,33210
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8]>>[c:1]-[O:2].[c:3]:1(:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8])-[Cl:10]	5	4552,38771,50158,51215,55243
+[S:1](-[c:2](:[c:3]):[c:4])-[C:5]>>[S:1]-[C:5].[c:2](:[c:3])(:[c:4])-[I:6]	5	4555,10302,22439,24414,42582
+[C:1]-[C:2]-[N:3](-[C:4](-[C:5])=[O:7])-[c:6]>>[C:1]-[C:2]-[Cl:8].[N:3](-[C:4](-[C:5])=[O:7])-[c:6]	5	4823,32311,32315,50803,54203
+[C:1]-1-[C:2]-[O:3]-[C:4](-[C:5])(-[C:6])-[O:7]-[C:8]-1>>[O:3]=[C:4](-[C:5])-[C:6].[C:1](-[C:2]-[O:9])-[C:8]-[O:7]	5	4923,9237,10173,12332,26338
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:9]:[c:6](:[o:5]:1)-[N:7]-[C:8]>>[N:7]-[C:8].[c:1]:[c:4]:1:[c:3](:[c:2]):[n:9]:[c:6](:[o:5]:1)-[Cl:10]	5	4941,18019,42135,43057,48598
+[C:1](=[O:2])(-[C:3]-[N:4]-[C:5]-[c:6])-[O:7]>>[C:1](=[O:2])(-[C:3]-[N:4])-[O:7].[C:5](-[c:6])=[O:8]	5	4945,10447,17997,26635,30756
+[C:1]-[N:2]=[C:3](-[C:4])-[c:5]>>[C:1]-[N:2].[C:3](-[C:4])(-[c:5])=[O:6]	5	4979,4980,19391,49254,56256
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:6]:[n:7]>>[C:1]-[C:2](=[O:3])-[O:9]-[C:8].[N+:4](-[c:5]:[c:6]:[n:7])(=[O:10])-[O-:11]	5	5048,10340,13007,43337,51652
+[N:1]-[C:2](-[C:3]-[C:4]-[N:5](-[C:6])-[C:7])=[O:8]>>[N:1]-[C:2](-[C:3]=[C:4])=[O:8].[N:5](-[C:6])-[C:7]	5	5051,14230,14720,14901,52434
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:8].[C:1]-[O:2]	5	5074,6702,10030,32918,32919
+[C:1](=[O:2])-[O:3]-[C:4]-[C:5]>>[C:4](-[C:5])-[O:6].[C:1](=[O:2])-[O:3]	5	5271,23099,30307,30351,32302
+[C:1]-[O:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:8](:[c:7]):[n:9]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:8](:[c:7]):[n:9]:1)-[Cl:10]	5	5292,20297,32715,32965,32967
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5](-[C:6](=[O:7])-[O:11])=[C:10]-[N:9]-[c:8]>>[C:1]-[O:2]-[C:10]=[C:5](-[C:3](=[O:4])-[O:14]-[C:13]-[C:12])-[C:6](=[O:7])-[O:11].[c:8]-[N:9]	5	5399,5400,5405,5409,5410
+[C:1]-[C:2]=[C:3]-[C:4](-[O:5])-[C:6]-[C:7](=[O:8])-[C:9]>>[C:6]-[C:7](=[O:8])-[C:9].[C:1]-[C:2]=[C:3]-[C:4]=[O:5]	5	5512,5516,5518,18168,18169
+[O:1]=[C:2](-[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8](-[C:9](=[O:10])-[N:11])-[C:13](-[N:12])=[O:14]>>[C:8](-[C:9](=[O:10])-[N:11])-[C:13](-[N:12])=[O:14].[O:1]=[C:2](-[O:3])-[C:4]-[N:5]=[C:6]=[O:7]	5	5622,5623,5624,5626,5627
+[c:1]:[c:2](-[C:3]-[O:4]-[c:5]):[n:6]>>[O:4]-[c:5].[c:1]:[c:2](-[C:3]-[O:7]):[n:6]	5	5649,5651,6290,10665,36757
+[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1):[c:6]>>[c:1]:1:[c:2](:[s:3]:[c:4](:[c:5]:1):[c:6])-[C:8](=[O:7])-[O:9]	5	5657,38704,39734,49490,50381
+[C:1](=[O:2])(-[C:3]-[c:4])-[O:5]>>[C:1](=[O:2])(-[C:3](-[c:4])-[C:8](-[O:7]-[C:6])=[O:9])-[O:5]	5	5690,33200,43112,53351,55888
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+[n:1]:[c:10]:1:[c:3](:[n:2]):[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:[n:9]:1>>[n:1]:[c:10]:1:[c:3](:[n:2]):[c:4](:[n:7]:[c:8]:[n:9]:1)-[Cl:11].[N:5](-[c:6])-[C:13]=[O:12]	5	5993,37027,39529,52899,54977
+[O:1]=[C:2](-[N:3]-[O:4])-[c:5]:[c:6]:[n:7]>>[O:1]=[C:2](-[c:5]:[c:6]:[n:7])-[O:8].[N:3]-[O:4]	5	6007,6013,26764,35866,46861
+[C:1]-[S:2](=[O:3])(=[O:4])-[C:5]>>[C:1]-[S:2]-[C:5].[O:3]-[O:8]-[C:7](=[O:4])-[c:6]:1:[c:9]:[c:11](-[Cl:10]):[c:12]:[c:13]:[c:14]:1	5	6075,6563,7340,36609,36687
+[c:1]-[O:2]-[C:3](-[F:4])-[F:5]>>[c:1]-[O:2].[C:3](-[F:4])(-[F:5])-[Cl:6]	5	6107,26406,33315,40055,40056
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+[c:1]:[c:3](:[c:2])-[Cl:4]>>[c:1]:[c:3]:[c:2].[Cl:4]-[Cl:5]	5	6132,35152,35153,35155,35156
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+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1.[C:6](=[O:7])(-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])-[O:20]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]	5	6335,20913,20927,21172,21200
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+[c:1]:[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1:[c:7]>>[c:1]:[c:2](-[C:3]):[c:6](-[N:5]):[c:7].[N:4](=[O:8])-[O:9]	5	6708,34433,36816,42467,47206
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+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]):[c:7]:1:[c:6]>>[C:1]-1(-[C:2](-[N:3]-[c:4](:[c:5]):[c:7]-1:[c:6])=[O:8])=[O:9]	5	6808,27711,27771,49866,49867
+[c:1]-[C:2]-[C:3](=[O:4])-[N:5]>>[c:1]-[C:2](-[C:3](=[O:4])-[N:5])=[O:6]	5	6853,27057,41628,49975,50112
+[c:1]:[c:5](:[c:4](:[c:2]):[n:3])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[c:1]:[c:5](:[c:4](:[c:2]):[n:3])-[O:11]-[S:9](=[O:10])(-[C:12](-[F:13])(-[F:14])-[F:15])=[O:16]	5	7025,7800,13212,15018,19630
+[c:1]:[c:2](-[N+:3](=[O:5])-[O-:6]):[c:4]>>[c:1]:[c:2]:[c:4].[N+:3](=[O:5])(-[O-:6])-[C:7]	5	7068,16098,47782,47785,47787
+[C:1]-[C:2](-[O:3])-[C:4]=[C:5]-[C:6]>>[C:1]-[C:2](=[O:3])-[C:4]=[C:5]-[C:6]	5	7083,24690,43801,52217,52218
+[c:1]-[C:2](-[C:3])-[C:4]=[O:5]>>[c:1]-[C:2]-[C:4]=[O:5].[C:3]-[I:6]	5	7108,7109,31671,31697,31698
+[c:1]-[n:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:1>>[C:3]-1(-[C:4]-[C:5]-[C:6](-[O:9]-1)-[O:10]-[C:11])-[O:8]-[C:7].[c:1]-[N:2]	5	7177,7178,7180,7181,7182
+[C:1]-[N:2](-[C:3]-[C:4](=[O:5])-[N:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[C:7](=[O:8])(-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])-[O:21]-[C:19](-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])=[O:20].[C:1]-[N:2]-[C:3]-[C:4](=[O:5])-[N:6]	5	7277,13143,13149,16341,20995
+[N:1](-[C:2])-[C:3]>>[N:1](-[C:2])(-[C:3])-[C:6]-[C:5]=[C:4]	5	7281,29599,39550,54062,55611
+[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](-[N:7](-[C:8])-[C:9]):[n:10]:1):[s:5]>>[N:7](-[C:8])-[C:9].[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](:[n:10]:1)-[Cl:11]):[s:5]	5	7303,7308,9674,14860,14861
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+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[C:3](-[N:4](-[C:7])-[C:8])=[O:9].[c:1]:[c:2](:[c:5])-[Br:6]	5	7383,11896,18545,32082,32087
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+[c:1]:1:[n:2]:[c:3](-[N:4](-[C:5])-[C:6]):[c:7]:2:[c:8]:[n:9]:[n:10]:[c:11]:2:[n:12]:1>>[N:4](-[C:5])-[C:6].[c:1]:1:[n:2]:[c:3](:[c:7]:2:[c:8]:[n:9]:[n:10]:[c:11]:2:[n:12]:1)-[Cl:13]	5	7793,9764,11600,16208,38475
+[n:1]:[c:8]:[c:7]:[c:3](:[c:2])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[n:1]:[c:8]:[c:7]:[c:3](:[c:2])-[Br:9]	5	7795,12722,15030,15563,15671
+[N:1](-[C:2](-[C:3])-[C:4])(-[C:6]=[O:5])-[C:7]=[O:8]>>[C:2](-[C:3])(-[C:4])-[O:9].[N:1](-[C:6]=[O:5])-[C:7]=[O:8]	5	7836,20183,20402,23754,49132
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[Cl:5].[N:3]	5	7975,40750,40804,40946,40976
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+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]):[c:8]>>[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	5	8026,23009,37993,45412,46436
+[c:1](:[c:2](-[Br:3]):[c:4]:[n:5]):[n:6]>>[Br:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1](:[c:2]:[c:4]:[n:5]):[n:6]	5	8105,8308,8402,8604,8754
+[N:1]-[C:2]-[C:4](-[N:3])=[O:5]>>[N:1](-[C:2]-[C:4](-[N:3])=[O:5])=[N+:7]=[N-:6]	5	8820,17832,30762,47846,56167
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8](:[c:9]):[o:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8](:[c:9]):[o:10])-[O:11]	5	8986,8990,10408,12401,26602
+[O:1]=[P:2](-[O:3])(-[O:4])-[C:5]-[C:6]>>[C:5](-[C:6])-[Br:7].[O:1](-[P:2](-[O:3])-[O:4])-[C:9]-[C:8]	5	8997,18762,43454,43459,43467
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+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-[C:10]>>[C:6](=[O:7])(-[C:9]-[C:10])-[O:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5].[N:8](=[N+:13]=[N-:12])-[P:14](=[O:15])(-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2	5	9313,17927,17929,17973,17977
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2:[c:9](:[c:10]:1)-[Cl:11]>>[C:1]-[C:2]-1=[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:10]-1)=[O:15].[Cl:11]-[P:12](-[Cl:13])(-[Cl:14])=[O:16]	5	9320,18739,29864,34447,35457
+[c:1]:[c:2](:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]):[c:9]>>[c:1]:[c:2](:[n:3]:[c:4](:[c:8])-[Cl:19]):[c:9].[c:5](:[c:6])(:[c:7])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	5	9350,9470,20277,28385,29236
+[c:1]:1:[n:2]:[n:3](-[C:4]-[C:5]):[c:6]:[c:7]:1>>[C:4](-[C:5])-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11].[c:1]:1:[n:2]:[n:3]:[c:6]:[c:7]:1	5	9461,22169,23439,40629,45228
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](-[N:6]-[C:7]):[c:8]:[c:9]:[n:10]:[c:11]:1:2>>[N:6]-[C:7].[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](:[c:8]:[c:9]:[n:10]:[c:11]:1:2)-[Cl:12]	5	9485,11042,12477,15444,15459
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+[N:1]-[C:2](=[O:3])-[C:4](-[c:5](:[c:6]):[c:7])=[C:8]>>[N:1]-[C:2](=[O:3])-[C:4](=[C:8])-[Br:9].[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12]	5	9904,22192,27065,30270,30271
+[c:1]-[C:2]-[N:3]-[C:4]=[O:5]>>[c:1]-[C:2](-[N:3]-[C:4]=[O:5])=[O:6]	5	9908,27030,48149,48631,48795
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+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1.[O:1]-[C:2](=[O:3])-[Cl:7]	5	10025,29575,30804,45407,52359
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+[c:1]:1:[n:2]:[c:3]:[c:4]:2-[N:5]-[C:6](=[O:7])-[N:8](-[C:9])-[c:10]:2:[n:11]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[O:7]-[C:12]):[n:8](-[C:9]):[c:10]:2:[n:11]:1	5	10261,12897,13381,14125,56904
+[c:1]-[O:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[F:8].[c:1]-[O:2]	5	10303,11318,11880,50493,55060
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+[C:1]-[C:2](-[N:3]-[C:4])-[c:5]>>[C:1]-[C:2](-[c:5])=[O:6].[N:3]-[C:4]	5	10360,12820,15822,38677,38773
+[n:1]:[c:2]:[c:3](-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]):[c:9]>>[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:19].[n:1]:[c:2]:[c:3](:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	5	10414,16338,27139,28500,28504
+[N:1]-[N:2]-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]>>[N:1]-[N:2].[C:3]-[C:4](-[C:5])(-[C:6])-[O:7]-[C:8](=[O:9])-[O:17]-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16]	5	10690,20901,21167,21173,21299
+[c:1]:1:[c:2]:[n:3]:[c:4](:[n:5]):[c:6]:[c:7]:1-[N:8](-[C:9])-[C:10]>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:5]):[c:6]:[c:7]:1-[F:11].[N:8](-[C:9])-[C:10]	5	10695,11688,23624,23625,23626
+[c:1]:[c:2]-1:[c:3]-[C:4]-[C:5](=[O:6])-[N:7]-1-[C:8]>>[N:7]-[C:8].[c:1]:[c:2](:[c:3]-[C:4]-[C:5](=[O:6])-[O:9])-[F:10]	5	10842,11034,11944,26740,29974
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[Cl:7]):[c:5].[N:4]	5	11284,34533,40811,40816,40921
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1>>[c:1]:1:[n:2]:[n:3](:[c:4]:[c:5]:1)-[C:12]-[c:11]:2:[c:10]:[c:9]:[c:8](-[O:7]-[C:6]):[c:14]:[c:13]:2	5	11406,54345,54616,55186,57318
+[c:1]:[c:2](-[N:3]-1-[C:4]=[C:5]-[C:6](-[O:7])=[C:8]-[C:9]-1=[O:10]):[c:11]>>[c:1]:[c:2](:[c:11])-[Br:12].[n:3]:1:[c:4]:[c:5]:[c:6](-[O:7]):[c:8]:[c:9]:1-[O:10]	5	11453,19806,34623,51094,51098
+[C:1]-[O:2]-[C:3]-[C:4]-[C:5](=[O:6])-[O:7]>>[C:1]-[O:2].[C:3]=[C:4]-[C:5](=[O:6])-[O:7]	5	11547,13309,15845,18085,18089
+[c:1](:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[c:7]:[n:8]):[n:9]>>[C:4](=[O:5])(-[C:6])-[Cl:10].[c:1](:[c:2](-[N:3]):[c:7]:[n:8]):[n:9]	5	11706,15414,17689,26580,42788
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:1]:[c:2](:[c:7])-[I:8].[c:3](:[c:4])(:[c:6]:[n:5])-[B:10](-[O:9])-[O:11]	5	11726,26640,28563,34107,45652
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[c:6](:[c:7]):[n:8]):[n:9]:[c:10]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:9]:[c:10]:1)-[Cl:11].[N:5]-[c:6](:[c:7]):[n:8]	5	11857,11863,14534,34037,40354
+[O:1]=[C:2](-[N:3]-[C:4])-[c:5](:[c:6]):[o:7]>>[N:3]-[C:4].[O:1]=[C:2](-[c:5](:[c:6]):[o:7])-[O:8]	5	11872,12443,44196,44197,48962
+[c:1]:[c:2]-1:[c:3]-[N:4]-[C:5](-[C:6]-[C:7]-1(-[C:8])-[C:9])=[O:10]>>[c:1]:[c:2]:[c:3]-[N:4]-[C:5](-[C:6]=[C:7](-[C:8])-[C:9])=[O:10]	5	11903,26248,26249,26255,54962
+[c:1]-[N:2]-[C:4](-[C:3]#[N:7])(-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])=[O:8].[C:3]#[N:7].[c:1]-[N:2]	5	11915,13335,13350,41114,41117
+[N:1](-[C:2](=[O:3])-[C:4])-[c:6](:[c:5]:[n:9]):[c:7]:[n:8]>>[N+:1](-[c:6](:[c:5]:[n:9]):[c:7]:[n:8])(=[O:13])-[O-:14].[C:2](=[O:3])(-[C:4])-[O:12]-[C:11]-[C:10]	5	11947,12193,12194,12195,37146
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]:[c:7]:[n:8]>>[c:1]:[c:2](:[c:6]:[c:7]:[n:8])-[Br:9].[B:3](-[O:4])(-[O:5])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	5	12002,28007,28126,28135,28178
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[c:7]:1):[c:8]>>[c:3]:1(:[n:4]:[n:5]:[c:6]:[c:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	5	12017,25789,38460,46501,51891
+[c:1]:[c:2](-[C:3]-[C:4](-[C:5])=[C:6]):[c:7]-[O:8]>>[c:1]:[c:2]:[c:7]-[O:8]-[C:3]-[C:4](-[C:5])=[C:6]	5	12077,16508,25501,43326,53493
+[C:1]-1-[C:2](-[O:3]-1)(-[C:4])-[C:5]>>[C:2](=[O:3])(-[C:4])-[C:5].[C:1]-[S:7](-[C:6])=[O:8]	5	12287,13354,13359,13363,33611
+[c:1]:[c:2](-[N:3]-[C:4]):[c:5]>>[N:3]-[C:4].[c:1]:[c:2](:[c:5])-[O:9]-[S:7](=[O:6])(=[O:8])-[C:10](-[F:11])(-[F:12])-[F:13]	5	12536,17499,24992,27076,30988
+[c:1]:[c:2](-[c:3]:1:[c:4]:[o:5]:[c:6]:[c:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3]:1(:[c:4]:[o:5]:[c:6]:[c:7]:1)-[B:11](-[O:10])-[O:12]	5	12572,39579,39959,46274,46750
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	5	12790,17901,23776,28505,28506
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[N:6]>>[S:3](=[O:4])(=[O:5])(-[N:6])-[Cl:7].[c:1]-[N:2]	5	12855,26586,44102,45444,45649
+[O:1]=[C:2](-[N:3]-[c:4])-[N:5]-[C:6]-[C:7](=[O:8])-[N:9]>>[N:5]-[C:6]-[C:7](=[O:8])-[N:9].[O:1]=[C:2]=[N:3]-[c:4]	5	13204,17509,17833,21589,33565
+[C:1]-[N:2](-[c:3])-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[N:2]-[c:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:8]	5	13272,32261,36007,45090,45334
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[n:7]:[n:6]):[c:8]>>[c:4](:[c:5])(:[n:7]:[n:6])-[Cl:18].[n:1]:[c:2]:[c:3](:[c:8])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	5	13585,28455,28974,29272,29288
+[O:1]-[C:2](-[C:3])-[C:4](-[F:5])(-[F:6])-[F:7]>>[O:1]=[C:2]-[C:3].[C:4](-[F:5])(-[F:6])(-[F:7])-[Si:9](-[C:8])(-[C:10])-[C:11]	5	13593,38335,38337,38342,38346
+[c:1]:1:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]:[c:8](:[n:7]):[n:9]:[c:10]:1>>[N:3](-[C:4])-[C:5].[c:1]:1:[c:2](:[c:6]:[c:8](:[n:7]):[n:9]:[c:10]:1)-[Cl:11]	5	13767,13768,23621,23649,34069
+[C:1]-[C:2](=[C:3](-[N:4](-[C:5])-[C:6])-[c:7])-[C:9](-[N:8])=[O:10]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[C:3](-[c:7])-[Cl:11])-[C:9](-[N:8])=[O:10]	5	13769,15049,15068,15069,15073
+[c:1]:[c:2]:1:[c:3](:[n:4]:[c:5](-[c:6]:[c:8]:[n:7]):[n:9]:1):[c:10]>>[c:1]:[c:2](:[c:3](-[N:4]):[c:10])-[N:9].[C:5](-[c:6]:[c:8]:[n:7])=[O:11]	5	13954,17530,22958,32351,42625
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:9]:1:[n:8]>>[c:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:9]:1:[n:8])-[Br:10]	5	13965,24360,45291,52846,54855
+[c:1](:[c:2]-[C:3]=[O:5]):[n:4]>>[c:1](:[c:2]-[C:3](=[O:5])-[O:8]-[C:7]-[C:6]):[n:4]	5	14169,30854,46257,49730,55881
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:11]:[c:6](:[n:5]:1)-[C:7](-[F:8])(-[F:9])-[F:10]>>[c:1]:[c:4](:[c:3](:[c:2])-[N:11])-[N:5].[C:6](-[C:7](-[F:8])(-[F:9])-[F:10])(=[O:12])-[O:13]	5	14513,15145,26514,37600,37602
+[c:1]:[c:2](-[C:3](-[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])-[c:5].[c:1]:[c:2]:[c:6]	5	14603,17548,48473,49566,53087
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]):[c:7]>>[c:1]:[c:4](:[c:3]:[n:2])-[I:17].[c:5](:[c:6])(:[c:7])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16]	5	14608,28438,28472,29118,29192
+[O:1]=[C:2](-[O:3]-[C:4])-[C:5]>>[O:3]-[C:4].[O:1]-[C:2](-[C:5])=[O:6]	5	14648,16359,32766,32994,33016
+[C:1]-[N:2](-[C:3]-[C:4]-[C:5]=[O:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](-[C:4]-[C:5]=[O:6])-[Cl:8]	5	14762,15176,32613,51929,53733
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:9]-[S:7](=[O:6])(=[O:8])-[C:10](-[F:11])(-[F:12])-[F:13]	5	14891,14949,15600,38212,38217
+[C:1]-[O:2]-[C:3]-1-[C:4]-[C:5]-[C:6]-[C:7]-[O:8]-1>>[C:1]-[O:2].[C:3]-1-[C:4]-[C:5]-[C:6]=[C:7]-[O:8]-1	5	15283,25101,26044,36797,39701
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5])-[C:6]):[n:7]:[c:8]:1>>[C:4](-[C:5])(-[C:6])-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12].[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1	5	15330,15502,19205,22356,34078
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]-[O:6]>>[C:4]-1-[C:5]-[O:6]-1.[N-:1]=[N+:2]=[N-:3]	5	15344,47918,47949,48051,48059
+[N-:1]=[C:2]=[C:3]-1-[N+:4](-[C:5](-[C:6])=[C:7]-[C:8]=[C:9]-1)=[O:14]>>[c:3]:1:[n+:4](:[c:5](-[C:6]):[c:7]:[c:8]:[c:9]:1)-[O-:14].[N:1]#[C:2]-[Si:11](-[C:10])(-[C:12])-[C:13]	5	15389,18275,33853,33859,33872
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[C:7]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:9]-[C:8]	5	15462,15465,37863,41767,41803
+[N:1]-[N:2]>>[N:1]-[N:2]=[O:3]	5	15824,28815,44839,45615,53914
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:7]>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1.[C:7]-[I:8]	5	15924,19545,31385,31628,31702
+[c:1]:1:[n:2]:[c:3](:[n:4]:[c:5]:[c:6]:1)-[I:7]>>[c:1]:1:[n:2]:[c:3](:[n:4]:[c:5]:[c:6]:1)-[N:10].[I:7]-[C:9]-[I:8]	5	15967,40490,40492,40493,40494
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1:[c:7]>>[c:1]:[c:2](-[N+:3](=[O:10])-[O-:11]):[c:6]:[c:7].[C:4](=[C:5])-[Mg:9]-[Br:8]	5	16278,16554,16562,16564,16575
+[c:1](:[n:2]:[c:3](:[c:4])-[Cl:6]):[c:5]>>[c:1](:[n:2]:[c:3](:[c:4])-[N:7]):[c:5].[Cl:6]	5	16303,34768,34770,34798,34799
+[C:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:8]=[O:7]>>[C:1]-[C:2]-[I:6].[N:3](-[C:4]=[O:5])-[C:8]=[O:7]	5	16390,43529,43567,50063,55476
+[N:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:9].[N:1]-[N:2]	5	16431,31098,39531,42276,42277
+[c:1]-[O:2]-[C:3](-[C:4])(-[C:5])-[C:6]>>[c:1]-[O:2].[C:3](=[C:4])(-[C:5])-[C:6]	5	16510,26236,34291,51003,51272
+[O:1]-[C:2](=[O:3])-[C:4](-[Cl:5])-[C:6]-[c:7](:[c:8]):[c:9]>>[O:1]-[C:2](=[O:3])-[C:4]=[C:6].[Cl:5].[c:7](:[c:8])(:[c:9])-[N:10]	5	16534,17628,30595,30596,30597
+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]):[c:7]:1:[c:6]>>[C:1](=[C:2])-[Mg:9]-[Br:8].[N+:3](-[c:4](:[c:5]):[c:7]:[c:6])(=[O:10])-[O-:11]	5	16556,16557,16565,16569,16570
+[C:1]-[C:2]-[c:3]:[c:4]:[n:5]>>[C:1]=[C:2]-[c:3]:[c:4]:[n:5]	5	16578,17390,22777,39786,53312
+[N:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[C:7]>>[C:7]=[O:8].[N:1]-[C:2](=[O:3])-[C:4]-[N:6]-[C:5]	5	16582,16594,16597,16621,16705
+[N:1]-[C:2](-[C:3])=[O:4]>>[C:3]-[C:9](-[O:8]-[C:6](-[C:5])=[O:7])=[O:10].[N:1]-[C:2](=[O:4])-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14]	5	16831,16833,16838,16840,16842
+[C:1]-[C:2](-[O:4]-[C:3])=[N:5]>>[C:1]-[C:2]#[N:5].[C:3]-[O:4]	5	17169,32765,33170,34058,34811
+[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](-[N:7]-[c:8]):[n:9]:1):[n:5]>>[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](:[n:9]:1)-[Cl:10]):[n:5].[N:7]-[c:8]	5	17409,42659,46106,50214,52851
+[c:1]:[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6](:[c:7]:1:[c:8])-[O:9]>>[c:1]:[c:2]:1-[N:3]=[C:4]-[N:5](-[C:6](-[c:7]:1:[c:8])=[O:9])-[C:10]-[O:17]-[C:15](-[C:12](-[C:11])(-[C:13])-[C:14])=[O:16]	5	17423,17424,17426,17572,17573
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[C:6]>>[C:5](-[C:6])=[O:7].[O:1]-[C:2](=[O:3])-[C:4]=[P:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:26]:[c:25]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	5	17562,22290,24725,53001,53004
+[C:1]-[O:2]-[c:3]>>[C:1]-[O:4].[O:2]-[c:3]	5	17574,32879,32935,33014,33072
+[C:1](-[c:2](:[c:3]):[c:4])=[O:5]>>[c:2](:[c:3])(:[c:4])-[I:9].[C:1](=[O:5])-[N:7](-[C:6])-[C:8]	5	17599,27698,32124,32174,32217
+[c:1]:[c:2](-[N:3]):[n:4]>>[c:1]:[c:2](-[N:3]-[C:6](-[C:5])=[O:7]):[n:4]	5	17673,38329,51920,54571,55982
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](=[O:6])-[N:7]-1>>[c:1]-[C:2]#[N:7].[N:3]-[O:4].[C:5](-[O:6])(=[O:8])-[O:9]	5	17721,26097,31979,46869,46871
+[C:1]-[S:2]-[C:3]-[c:4]>>[C:1]-[S:2].[C:3](-[c:4])-[Cl:5]	5	17742,38601,38966,47451,47455
+[c:1](:[n:2]:[c:3](-[N:4]-[C:25](-[O:24]-[C:21](-[C:20])(-[C:22])-[C:23])=[O:26]):[c:5]):[c:6]>>[C:20]-[C:21](-[C:22])(-[C:23])-[O:24].[c:1](:[n:2]:[c:3](:[c:5])-[C:25](=[O:26])-[O:27]):[c:6].[N:4](=[N+:29]=[N-:28])-[P:30](=[O:7])(-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2	5	17960,17966,17970,17978,17982
+[c:1]-[N:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:7].[c:1]-[N:2]	5	18574,42598,52843,54786,54866
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[c:5]:[c:6](:[n:7]):[c:8]:[c:9]:[n:10]:2):[c:11]:[n:12]:1>>[c:4]:1(:[c:5]:[c:6](:[n:7]):[c:8]:[c:9]:[n:10]:1)-[Cl:22].[n:1]:1:[c:2]:[c:3](:[c:11]:[n:12]:1)-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21]	5	18777,18791,18805,19734,28492
+[c:1]:[c:2](-[C:3](-[C:4]-[C:5])-[C:6]):[n:7]>>[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[n:7]	5	18920,18924,22419,27855,51254
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[n:10]:1>>[C:1]-[C:2](-[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[N:10])=[O:11]	5	19020,36101,37143,39770,55423
+[C:1](-[C:2]-[C:3]-[C:4])(-[C:5])=[O:6]>>[C:1](-[C:2]=[C:3]-[C:4])(-[C:5])=[O:6]	5	19386,28634,57127,57199,57287
+[c:1]:1:[c:2]:[c:3](:[n:4]):[c:6](:[n:5]):[c:7](-[N:8]-[C:9]):[n:10]:1>>[N:8]-[C:9].[c:1]:1:[c:2]:[c:3](:[n:4]):[c:6](:[n:5]):[c:7](:[n:10]:1)-[Cl:11]	5	19424,19477,22333,23050,27851
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:11]-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16].[N:5]-[c:6]	5	19572,32283,34899,34913,34914
+[C:1]-[C:8](-[N:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])=[O:9]>>[C:1]-[C:8](=[O:9])-[O:10].[N:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]	5	19902,23285,23303,23357,56115
+[C:1]-[C:2](-[N:3]-[C:4])-[C:5]=[N:6]>>[N:3]-[C:4].[C:1]-[C:2](-[C:5]=[N:6])-[Br:7]	5	20496,20502,32337,32338,41929
+[c:1]:[c:3](:[c:2])-[O:4]>>[c:1]:[c:3](:[c:2])-[Cl:5].[O:4]	5	20510,36431,42895,42896,42897
+[n:1]:[c:2]:[c:3](-[C:4]#[N:5]):[c:6]>>[n:1]:[c:2]:[c:3](:[c:6])-[Br:7].[C:4]#[N:5]	5	20585,24314,27847,39062,41156
+[C:1](-[N:2]-[N:3])=[O:4]>>[C:1](-[N:2]-[N:3]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11])=[O:4]	5	20630,20631,20634,24021,24022
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+[c:1]:1:[c:2]:[n:3](-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]):[n:11]:[c:12]:1>>[c:1]:1:[c:2]:[n:3]:[n:11]:[c:12]:1.[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:13]-[C:19](-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])=[O:20]	5	20932,20991,21029,21072,21170
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+[c:1](-[C:2]-[C:3]#[N:4]):[c:5]:[n:6]>>[c:1](-[C:2]-[Br:7]):[c:5]:[n:6].[C:3]#[N:4]	5	21426,33579,33589,41109,41159
+[c:1]:1:[c:2]:[n:3](-[S:4](=[O:5])(=[O:6])-[c:7]:[c:9]:[n:8]):[c:10]:[c:11]:1>>[c:1]:1:[c:2]:[n:3]:[c:10]:[c:11]:1.[S:4](=[O:5])(=[O:6])(-[c:7]:[c:9]:[n:8])-[Cl:12]	5	21832,31142,45509,45510,46222
+[O:1]-[c:2]>>[O:1](-[c:2])-[C:5]-[C:4]=[C:3]	5	22331,43547,49198,54438,55241
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[C:7]):[n:8]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[O:9])-[N:8]-[C:6](=[O:5])-[C:7]	5	22863,29707,29708,47821,53104
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+[c:1]:[c:2](-[C:3](=[O:4])-[O:6]):[n:5]>>[c:1]:[c:2](-[C:3]#[N:9]):[n:5].[O:6]-[C:8]-[C:7].[O:4]	5	23323,30308,30336,30385,30388
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+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[N:7]-[c:8]):[n:9]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N:9].[C:6](=[N:7]-[c:8])=[S:10]	5	23992,28839,37676,42626,50518
+[c:1]-[C:2]-[C:3]-[c:4]>>[c:1]-[C:2]#[C:3]-[c:4]	5	24226,49379,51921,53527,55992
+[c:1]:1:[c:2](-[C:3]-[Cl:7]):[c:4]:[n:5]:[o:6]:1>>[c:1]:1:[c:2](-[C:3]-[O:11]):[c:4]:[n:5]:[o:6]:1.[Cl:7]-[S:9](=[O:8])-[Cl:10]	5	24389,35544,35546,35712,35746
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+[c:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]):[c:9]>>[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7].[c:1]:[c:2](:[c:9])-[B:11](-[O:10])-[O:12]	5	25132,48880,51420,51442,56685
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+[n:1]:[c:2]:[c:3]-[O:4]>>[n:1]:[c:2]:[c:3]-[O:4]-[Si:9](-[C:6](-[C:5])(-[C:7])-[C:8])(-[C:10])-[C:11]	5	25198,25203,25295,25296,25297
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+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[n:6]:[n:7]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N:7].[N:6](=[O:8])-[O:9]	5	25610,42446,47217,47218,47240
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1):[c:8]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[n:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	5	25978,28674,29067,29092,29133
+[n:1]:[c:2]:[c:3]-[C:4]-[C:5]#[N:6]>>[n:1]:[c:2]:[c:3]-[C:4]-[Cl:7].[C:5]#[N:6]	5	26727,41049,41070,41101,41149
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+[c:1]:[c:2](-[Br:3]):[c:4]>>[Br:3]-[N:14]-1-[C:6](-[C:5])(-[C:7])-[C:8](=[O:9])-[N:10](-[Br:11])-[C:12]-1=[O:13].[c:1]:[c:2]:[c:4]	5	26816,28554,28555,28556,28557
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[B:3](-[O:4]-[C:11](-[C:12])-[C:13])(-[O:5]-[C:14](-[C:15])-[C:16])-[O:10]-[C:8](-[C:7])-[C:9].[c:1]:[c:2](:[c:6])-[I:17]	5	27181,27191,27195,27211,27214
+[C:1](-[C:2])(-[c:3])=[O:4]>>[C:1](-[C:2])-[c:3].[O:4]	5	27329,28766,36226,42910,42935
+[c:1]:1:[n:2]:[c:3](-[S:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[S:4]-[C:5].[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	5	27451,38457,47462,47466,51539
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[S:7]):[n:8]>>[C:4](=[O:5])=[N:6]-[S:7].[n:1]:[c:2](-[N:3]):[n:8]	5	27474,43307,45626,45897,46211
+[n:1]:1:[c:2]:[c:3]:[c:4]:[c:6]:1:[n:5]>>[n:1]:1(:[c:2]:[c:3]:[c:4]:[c:6]:1:[n:5])-[Si:10](-[C:8](-[C:7])-[C:9])(-[C:11](-[C:12])-[C:13])-[C:14](-[C:15])-[C:16]	5	27556,27557,27559,27562,27563
+[c:1]:1:[c:2]:[c:3](-[N:4]):[c:5]:[c:6]:[n:7]:1>>[c:1]:1:[c:2]:[c:3](:[c:5]:[c:6]:[n:7]:1)-[Cl:8].[N:4]	5	27801,38925,40772,40788,40973
+[c:1](-[C:2](=[O:3])-[O:6]):[c:4]:[n:5]>>[c:1](-[C:2]=[O:3]):[c:4]:[n:5].[O:6]	5	27818,42891,42892,42973,42974
+[n:1]:[c:2](-[C:3](-[N:4]-[N:5])=[O:6]):[c:7]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:9]-[C:8]):[c:7].[N:4]-[N:5]	5	27890,38610,39765,41324,42205
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]):[n:7]:1-[c:8]>>[C:1]-[C:2](-[C:3]-[C:4]-[C:5](-[C:6])=[O:10])=[O:9].[N:7]-[c:8]	5	27912,27914,27915,27916,27918
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:19]	5	28317,29037,29146,29175,29176
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7](:[c:8]:[n:9]):[n:10]:1>>[c:4](:[c:5])(:[c:6])-[B:19]-1-[O:18]-[C:16](-[C:11](-[C:12])(-[C:13])-[O:20]-1)(-[C:15])-[C:17].[c:1]:1:[n:2]:[c:3](:[c:7](:[c:8]:[n:9]):[n:10]:1)-[Br:14]	5	28434,29002,29110,29111,29119
+[c:1]:1:[c:2](-[c:3]:2:[c:4]:[c:5]:[n:6]:[n:7]:2):[c:8]:[c:9]:[s:10]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[n:7]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20].[c:1]:1:[c:2](:[c:8]:[c:9]:[s:10]:1)-[Br:11]	5	28533,28534,28535,28536,29297
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+[C:1](-[c:2](:[c:3]):[s:4])-[Cl:5]>>[C:1](-[c:2](:[c:3]):[s:4])-[O:10].[Cl:5]-[S:7](-[C:6])(=[O:8])=[O:9]	5	29321,45046,45047,45048,45050
+[c:1]:1:[c:2](-[N+:3](=[O:7])-[O-:8]):[c:4]:[n:5]:[n:6]:1>>[c:1]:1:[c:2]:[c:4]:[n:5]:[n:6]:1.[N+:3](=[O:7])(-[O-:8])-[O:9]	5	29939,36902,45245,47626,47767
+[C:1]-[C:2](=[C:3]-[c:4])-[N+:5]>>[C:1]-[C:2]-[N+:5].[C:3](-[c:4])=[O:6]	5	30022,31295,31296,31297,50897
+[C:1](=[O:2])-[O:5]-[C:4]-[C:3]>>[C:1](=[O:2])-[O:5].[C:3]-[C:4]-[I:6]	5	30023,30036,30084,30085,30123
+[n:1]:[c:5]:[c:3](:[n:2])-[C:4]-[Cl:6]>>[n:1]:[c:5]:[c:3](:[n:2])-[C:4]-[O:9].[Cl:6]-[C:8]-[Cl:7]	5	30032,35076,35087,35096,35135
+[C:1]-[N:5](-[C:3](-[C:2])=[O:4])-[C:6]-[c:7]>>[C:1]-[N:5].[C:2]-[C:3](=[O:4])-[O:10]-[C:9]-[C:8].[C:6](-[c:7])=[O:11]	5	30562,38095,38178,43364,48463
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5]-[C:6])-[O:7]):[n:8]:[c:9]:1>>[c:1]:1:[c:2]:[n:3]:[n:8]:[c:9]:1.[C:4](=[C:5]-[C:6])-[O:7]	5	31113,40149,43733,43737,43774
+[s:1]:[c:2]:[c:3]-[C:4]-[O:5]-[c:6]>>[s:1]:[c:2]:[c:3]-[C:4]-[Br:7].[O:5]-[c:6]	5	31131,31132,31133,31134,31135
+[C:1]-[C:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[C:2]-[Mg:7]-[Br:6].[C:3](=[O:4])(-[c:5])-[N:10](-[O:9]-[C:8])-[C:11]	5	31267,31277,31278,31282,39271
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[c:1]-[C:2](-[N:3])=[S:7].[C:4](-[c:5])(-[C:6]-[Br:9])=[O:8]	5	31339,47434,47436,51992,53894
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[C:6]-[C:7]=[C:8]-1-[C:9]>>[C:1]-[I:10].[N:2]-1-[C:3](=[O:4])-[N:5]-[C:6]-[C:7]=[C:8]-1-[C:9]	5	31406,31407,31408,31409,31410
+[c:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]>>[C:3]-[I:7].[c:1]-[N:2]-[C:4](=[O:5])-[O:6]	5	31573,31574,31599,31630,31715
+[c:1]-[C:2]=[C:3]-[N:4]>>[C:3](-[N:4])=[O:5].[c:1]-[C:2]	5	32081,32112,32113,32123,32125
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+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]#[N:7].[O:3]-[C:5]-[C:6]-[O:4]	5	33300,46966,46975,46983,46984
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+[c:1]-[C:2](-[N:3])=[N:4]-[c:5]>>[c:1]-[C:2]#[N:3].[N:4]-[c:5]	5	33515,35874,41338,45290,50679
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:[c:6](-[c:7]):[c:8]:2):[c:9]:[c:10]:1>>[c:1]:1:[n:2]:[n:3]:[c:4](-[N:5]):[c:9]:[c:10]:1.[C:6](-[c:7])(-[C:8]-[Br:12])=[O:11]	5	33602,34312,38499,48816,51218
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+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6]:[o:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3]:1(:[c:4]:[c:5]:[c:6]:[o:7]:1)-[B:11](-[O:10])-[O:12]	5	34415,46051,46782,46783,46785
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+[c:1]-[N:2]-[C:3](=[O:4])-[O:7]-[C:5]=[O:6]>>[C:3](=[O:4])(-[O:16]-[C:13](-[Cl:12])(-[Cl:14])-[Cl:15])-[O:17]-[C:8](-[Cl:9])(-[Cl:10])-[Cl:11].[c:1]-[N:2].[C:5](=[O:6])-[O:7]	5	34889,34892,34894,34900,34906
+[O:1]=[C:2](-[C:3]=[C:4])-[Cl:5]>>[Cl:5]-[C:8]-[Cl:7].[O:1]=[C:2](-[C:3]=[C:4])-[O:6]	5	35080,35081,35082,35083,35112
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]=[N+:7]=[N-:8]):[c:9]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[Cl:10].[N-:6]=[N+:7]=[N-:8]	5	35944,36019,44652,47933,47941
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-1(-[c:6])-[C:7]-[C:8](-[c:9])=[N:10]-[O:11]-1>>[C:8](-[c:9])=[N:10]-[O:11].[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[C:7]	5	36246,37645,37647,37648,37650
+[O:1]=[S:2](-[c:3]:[c:4]:[n:5])-[c:6]>>[O:1]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1.[S:2](-[c:3]:[c:4]:[n:5])-[c:6]	5	36572,36638,36639,36640,36697
+[c:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:8].[c:1]-[N:2]	5	36904,39517,48709,48935,51479
+[O:1]=[C:2]-1-[N:3](-[c:4])-[C:5]-[C:6]-[N:7]-1>>[O:1]=[C:2](-[N:3]-[c:4])-[N:7]-[C:6]-[C:5]-[Cl:8]	5	37064,51017,53807,54950,54964
+[N:1](-[C:2])-[c:3]>>[N:1](-[C:2])(-[c:3])-[C:5](=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]	5	37205,37214,37215,37471,37508
+[c:1]:[c:3]:[c:2]>>[c:1]:[c:3](:[c:2])-[I:4]	5	38024,38819,39665,50147,51648
+[c:1](:[c:2]:[n:3]):[c:5](:[c:4])-[c:6](:[c:7]):[c:8]>>[c:1](:[c:2]:[n:3]):[c:5]:[c:4].[c:6](:[c:7])(:[c:8])-[N:9]	5	38799,38801,45693,45695,45953
+[N:1]-[C:2]-[C:3]=[C:4]>>[N:1]-1(-[C:2]-[C:3]=[C:4])-[C:6](=[O:5])-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14]	5	39243,49922,49928,51360,55835
+[c:1]:[c:3](:[n:2])-[N:4]-1-[C:5](=[O:6])-[c:7]:[c:8]-[C:9]-1=[O:10]>>[c:1]:[c:3](:[n:2])-[N:4].[C:5]-1(=[O:6])-[c:7]:[c:8]-[C:9](=[O:10])-[O:11]-1	5	39705,42759,42813,44536,44543
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](=[O:3])-[O:5]-[C:4]	5	40069,49250,50056,50904,50950
+[N:1]#[C:2]-[c:3]>>[N:1].[C:2](-[c:3])=[O:4]	5	40666,40667,40929,40933,40958
+[c:1]-[N:2]-[C:6](-[c:5]:[c:4]-[N:3])=[O:7]>>[c:1]-[N:2].[N:3]-1-[c:4]:[c:5]-[C:6](=[O:7])-[O:10]-[C:9]-1=[O:8]	5	41697,42708,44511,45304,51312
+[O:1]=[C:2]-1-[C:3](-[C:4](=[O:5])-[c:6])-[C:7]=[N:8]-[N:9]-1>>[O:1]=[C:2]-1-[C:3]-[C:7]=[N:8]-[N:9]-1.[C:4](=[O:5])(-[c:6])-[O:10]	5	41708,41709,41711,41713,41714
+[S:1]=[C:2]-1-[N:3]-[N:4]=[C:5](-[c:6])-[O:7]-1>>[N:3]-[N:4]-[C:5](-[c:6])=[O:7].[S:1]=[C:2]=[S:8]	5	42359,45397,47440,47447,47448
+[c:1]-[N:2]-[C:3]-1=[C:4](-[C:5](=[O:6])-[C:7]-1=[O:8])-[O:9]>>[c:1]-[N:2].[C:3]-1(=[C:4](-[C:5](=[O:6])-[C:7]-1=[O:8])-[O:9])-[O:12]-[C:11]-[C:10]	5	42409,42731,43320,43321,43322
+[O:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[F:5].[O:1]	5	42922,42929,42930,42946,42971
+[c:1]-[C:2](=[C:3]-[N:5])-[C:4]=[O:6]>>[C:3](-[N:5])(-[O:8]-[C:7])-[O:9]-[C:10].[c:1]-[C:2]-[C:4]=[O:6]	5	43173,43175,43176,43177,43179
+[O:1]-[C:2]-[C:3]-1-[C:4]-[N:5](-[c:6])-[C:7](=[O:8])-[O:9]-1>>[O:1](-[C:2]-[C:3]-1-[C:4]-[O:9]-1)-[C:21](-[C:20]-[C:19]-[C:18])=[O:22].[N:5](-[c:6])-[C:7](=[O:8])-[O:15]-[C:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:17]:[c:16]:1	5	43685,43686,43687,43688,43689
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2]=[O:3].[O:4]-[S:6](-[N:5])(=[O:7])=[O:8]	5	44641,45784,45786,45787,45788
+[c:1]-[C:2]-1=[C:3]-[C:4]=[C:5]-[N:6]-2-[C:7]-[C:8]-[S:9](=[O:10])(=[O:11])-[N:12]=[C:13]-1-2>>[C:7](-[C:8]-[S:9](=[O:10])(=[O:11])-[Cl:15])-[Cl:14].[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:13]:1-[N:12]	5	45383,45385,45386,45387,45388
+[N:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[N:4]-[S:5].[N:1]-[C:2](=[O:3])-[O:10]-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:1	5	45415,45590,45600,46022,46139
+[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5](=[O:6])-[N:7](-[c:8](:[c:9]):[c:10])-[C:11](-[C:12])=[N:13]-1>>[c:8](:[c:9])(:[c:10])-[B:15](-[O:14])-[O:16].[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](-[O:6]):[n:7]:[c:11](-[C:12]):[n:13]:1	5	46489,46563,46631,46679,53238
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[C:8](-[N:6])=[O:7]	5	47418,52865,52880,55341,56926
+[n:1]:[c:2](-[N:3]-[C:4](=[S:5])-[N:6]-[C:7]=[O:8]):[c:9]>>[n:1]:[c:2](-[N:3]):[c:9].[C:4](=[S:5])=[N:6]-[C:7]=[O:8]	5	49770,50353,51938,51942,51945
+[N:1]-1-[C:2]-[C:3]-[C:4]-[C:5]-1=[O:7]>>[N:1]-1-[C:2](-[C:3]-[C:4]-[C:5]-1=[O:7])=[O:6]	5	51289,54044,55684,56316,56330
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[c:1]-[C:2](-[N:3]-[N:4]-[C:5](-[c:6])=[O:7])=[O:8]	5	51490,54262,54527,54528,54828
+[C:1](-[C:2](=[O:3])-[O:4])=[C:5]>>[C:1](-[C:2](=[O:3])-[O:4]-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[N+:7](=[O:6])-[O-:8]):[c:15]:[c:14]:1)=[C:5]	5	55551,55553,55554,55555,55557
+[C:1](-[C:2](-[C:3])-[Br:5])=[O:4]>>[Br:5].[C:1](-[C:2]-[C:3])=[O:4]	4	14,30,51,104
+[C:1]-[C:2](-[C:3](-[C:4])=[O:6])-[Br:5]>>[Br:5]-[Br:7].[C:1]-[C:2]-[C:3](-[C:4])=[O:6]	4	128,161,213,248
+[c:1]:1:[n:2]:[c:3](:[c:4]:[n:5]:[c:6]:1)-[Br:7]>>[Br:7]-[Br:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1	4	134,260,345,431
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[Br:4].[C:1](-[c:2])-[O:5]	4	139,177,245,267
+[C:1](=[O:2])-[C:3](-[C:4])(-[C:5])-[Br:6]>>[Br:6]-[Br:7].[C:1](=[O:2])-[C:3](-[C:4])-[C:5]	4	146,195,196,428
+[c:1]:1:[c:2]:[s:3]:[c:4]:[c:5]:1-[Br:6]>>[Br:6]-[Br:7].[c:1]:1:[c:2]:[s:3]:[c:4]:[c:5]:1	4	280,442,467,468
+[c:1]:[c:2](-[C:3]-[Br:4]):[n:5]>>[Br:4]-[C:7](-[Br:6])(-[Br:8])-[Br:9].[c:1]:[c:2](-[C:3]-[O:10]):[n:5]	4	502,529,545,569
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3]-[C:4].[c:1]-[O:2]	4	581,582,27488,48284
+[c:1]:[c:2](-[C:3](-[C:4])=[O:6]):[c:5]>>[C:3](-[C:4])(=[O:6])-[Br:7].[c:1]:[c:2]:[c:5]	4	613,620,2219,2220
+[C:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-1>>[C:3](-[C:4]-[C:5]-[C:6]-[Br:8])-[Br:7].[C:1]-[N:2]	4	720,820,824,833
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6])-[C:7]>>[C:5](-[C:6])-[Br:8].[N:1]-[C:2](=[O:3])-[N:4]-[C:7]	4	851,10775,26562,30841
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:1):[c:8]>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	4	1034,1210,17454,51905
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[C:8](=[O:9])-[O:11]):[c:10]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:10])-[Br:13].[C:5](-[F:6])(-[F:7])(-[C:8](=[O:9])-[O:11])-[Br:12]	4	1045,36903,37114,37116
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]:[n:9]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:10].[c:1]:[c:2](:[c:8]:[n:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	4	1047,28975,29072,29217
+[c:1]-[C:2](=[O:3])-[N:4]-[N:5]>>[N:4]-[N:5].[c:1]-[C:2](=[O:3])-[Cl:6]	4	1048,12196,17852,34229
+[s:1]:[c:2]:1:[c:3]:[c:4](:[n:5]:[c:6]:[c:7]:1)-[Cl:8]>>[s:1]:[c:2]:1:[c:3]:[c:4](:[n:5]:[c:6]:[c:7]:1)-[O:13].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	4	1061,35229,35298,35440
+[C:1]#[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:6].[C:1]#[C:2]-[Si:8](-[C:7])(-[C:9])-[C:10]	4	1063,29488,33709,39068
+[c:1]:1:[c:2]:[c:3]:[c:4](-[N:5](-[C:6])-[C:7]):[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:8]:1)-[Br:9].[N:5](-[C:6])-[C:7]	4	1073,1245,12718,15728
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Br:10].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19]	4	1076,28394,28485,29252
+[c:1]:[c:2](-[Si:3](-[C:4])(-[C:5])-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[Si:3](-[C:4])(-[C:5])(-[C:6])-[Cl:9]	4	1108,27508,34122,34248
+[c:1](:[n:2]):[c:3]:[c:4](-[N+:5](=[O:7])-[O-:8]):[c:6]>>[c:1](:[n:2]):[c:3]:[c:4]:[c:6].[N+:5](=[O:7])(-[O-:8])-[O:9]	4	1132,34565,36493,36514
+[n:1]:[c:7](:[c:3](:[c:2])-[c:4](:[c:5]):[c:6]):[n:8]>>[n:1]:[c:7](:[c:3](:[c:2])-[Br:9]):[n:8].[c:4](:[c:5])(:[c:6])-[B:11](-[O:10])-[O:12]	4	1137,11352,46661,50270
+[c:1](:[n:2]):[c:4](:[c:3])-[c:5](:[c:6]):[c:7]>>[c:1](:[n:2]):[c:4](:[c:3])-[Br:9].[c:5](:[c:6])(:[c:7])-[Br:8]	4	1147,1151,45696,48187
+[C:1]=[C:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:7].[C:1]=[C:2]	4	1150,1152,1200,49698
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6]:[c:7]:[s:8]:1>>[c:4]:1:[c:5]:[c:6]:[c:7]:[s:8]:1.[C:1]-[C:2](=[O:3])-[Cl:9]	4	1165,4759,29871,43954
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1)-[B:8](-[O:7])-[O:9]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1)-[Br:10].[O:7]-[B:8](-[O:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	4	1183,28055,28168,28255
+[c:1]:[c:2](-[O:3]-[C:4]):[c:5]:[n:6]>>[c:1]:[c:2](:[c:5]:[n:6])-[Br:7].[O:3]-[C:4]	4	1194,1197,1201,33140
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:8]:1)-[Br:9].[N:5](-[C:6])-[C:7]	4	1214,6710,15005,15006
+[c:1](:[c:2](-[C:3]#[N:4]):[s:5]):[n:6]>>[c:1](:[c:2](-[C:3](-[N:4])=[O:7]):[s:5]):[n:6]	4	1252,20429,24008,54917
+[C:1]#[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]#[C:2]-[C:3]-[Br:7]	4	1296,1300,1301,1326
+[C:1]-[c:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[C:1]-[C:2]#[C:3].[C:4](-[c:5])=[N:6]-[O:7]	4	1362,1394,1404,46822
+[C:1]#[C:2]-[C:3]-[N:4]-[C:5](=[O:6])-[c:7]>>[C:5](=[O:6])(-[c:7])-[O:8].[C:1]#[C:2]-[C:3]-[N:4]	4	1374,1375,1376,1379
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8](:[c:9]):[s:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8](:[c:9]):[s:10])-[O:11]	4	1380,13987,22125,37699
+[C:1]#[C:2]-[C:3](-[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[C:1]#[C:2]-[Mg:11]-[Br:10].[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1	4	1425,1426,1427,1428
+[C:1]-[C:2]-[c:3]>>[C:1]#[C:2]-[c:3]	4	1435,5039,28550,45536
+[c:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[C:6]=[C:7]-[N:8]-[C:9]-1=[O:10]>>[N:3]-1-[C:4](=[O:5])-[C:6]=[C:7]-[N:8]-[C:9]-1=[O:10].[c:1]-[C:2]-[Br:11]	4	1481,38517,41566,51172
+[C:1]-[C:2]-1-[C:3]-[C:4](-[c:5])=[N:6]-[O:7]-1>>[C:1]-[C:2]=[C:3].[C:4](-[c:5])=[N:6]-[O:7]	4	1533,1578,33223,45272
+[C:1]-[C:2]-[N:3](-[C:4])-[c:8](:[c:5]:[n:6]):[n:7]>>[C:1]-[C:2]=[O:9].[N:3](-[C:4])-[c:8](:[c:5]:[n:6]):[n:7]	4	1547,5587,5590,5591
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5])-[C:6]-[C:7]>>[C:6](-[C:7])-[Br:8].[C:1]=[C:2]-[C:3]-[N:4]-[C:5]	4	1572,1573,2193,41983
+[C:1]-[c:2]:1:[c:3]:[n:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2](-[C:3]-[Br:12])=[O:11].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[N:10]	4	1689,1694,29855,39794
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[C:1]-[C:2](-[O:9])=[O:10].[N:3]-[c:4](:[c:5](:[c:6])-[O:8]):[c:7]	4	1714,9633,26394,51769
+[O:1]-[C:2](=[O:3])-[n:4]:1:[c:5]:[c:6]:[c:7]:[c:9]:1:[c:8]>>[O:1]-[C:2](=[O:3])-[Cl:10].[n:4]:1:[c:5]:[c:6]:[c:7]:[c:9]:1:[c:8]	4	1821,25201,30013,51339
+[O:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[O:1]-[C:2](=[O:3])-[Cl:7].[c:4](:[c:5]):[c:6]	4	1822,1827,30775,30790
+[N:1]-[C:8](-[C:7]-[N:3](-[C:2])-[C:4](=[O:5])-[O:6])=[O:9]>>[C:4](=[O:5])(-[O:6])-[Cl:10].[N:1]-[C:8](-[C:7]-[N:3]-[C:2])=[O:9]	4	1834,1851,5473,23334
+[c:1](-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1):[c:8]:[n:9]>>[c:1](-[C:2](=[O:10])-[O:11]):[c:8]:[n:9].[N:3]=[C:4](-[c:5])-[N:6]-[O:7]	4	1927,27318,41491,48338
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[N:6]-[C:7](-[C:8])=[O:9]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5]-[N:6]-[C:7](-[C:8])=[O:9]	4	1977,1985,9014,9015
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[S:6]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5]-[S:6]	4	1990,1991,1993,1994
+[C:1]-[C:2](-[c:3](:[c:4]):[c:6]:[n:5])-[O:7]>>[C:1]-[C:2]=[O:7].[c:3](:[c:4]):[c:6]:[n:5]	4	2040,2045,26550,29802
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5]-[C:6]>>[C:1]-[N:2]=[C:3]=[S:4].[N:5]-[C:6]	4	2060,11122,13561,32551
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6]=[O:7])-[C:8]=[O:9]>>[C:5](-[C:6]=[O:7])-[Br:10].[N:1]-[C:2](=[O:3])-[N:4]-[C:8]=[O:9]	4	2064,3689,51702,53101
+[N:1]-[C:2](-[C:3]-1-[C:4]-[N:5](-[c:6])-[C:7]-[C:8]-[N:9]-1-[C:10])=[O:11]>>[N:1]-[C:2](-[C:3](-[C:4]-[Br:13])-[Br:12])=[O:11].[N:5](-[c:6])-[C:7]-[C:8]-[N:9]-[C:10]	4	2065,2066,2067,55233
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[s:5]:[c:6](-[c:7]):[n:8]:1)-[O:9]>>[C:1](=[O:2])(-[C:3](-[C:4]-[Br:10])=[O:11])-[O:9].[S:5]=[C:6](-[c:7])-[N:8]	4	2070,44252,44259,44260
+[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:7]-[c:8]>>[C:7](-[c:8])-[Br:9].[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	4	2132,36740,43616,46072
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]-[Br:4].[O-:3]-[N+:6]-1(-[C:5])-[C:7]-[C:8]-[O:9]-[C:10]-[C:11]-1	4	2156,16025,16026,16027
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:3](-[C:5])#[N:6].[C:1]-[O:2].[O:4]=[S:8](=[O:7])(-[O:9])-[O:10]	4	2204,30401,32871,32883
+[C:1](-[S:2]-[c:3])-[C:4](-[C:5])=[O:6]>>[C:1](-[C:4](-[C:5])=[O:6])-[Cl:7].[S:2]-[c:3]	4	2228,2229,2234,2241
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5](=[O:6])-[O:7])-[C:8]>>[C:1]-[C:2](=[O:3])-[Cl:9].[N:4](-[C:5](=[O:6])-[O:7])-[C:8]	4	2278,4758,12412,55142
+[C:1]-[C:2](-[N:3]-[c:4](:[c:5]:[n:6]):[n:7])=[O:8]>>[C:1]-[C:2](=[O:8])-[Cl:9].[N:3]-[c:4](:[c:5]:[n:6]):[n:7]	4	2315,10620,26584,43996
+[O:1]=[C:2]-[N:7](-[C:5](=[N:4]-[c:3])-[C:6])-[c:8]>>[C:5](-[C:6])(=[O:9])-[Cl:10].[O:1]=[C:2]-[N:7]-[c:8].[c:3]-[N:4]	4	2348,2354,2380,2396
+[c:1]-[N:2]-1-[C:3]-[C:4](-[C:5](-[O:6])=[O:10])-[C:7]-[C:8]-1=[O:9]>>[C:3]=[C:4](-[C:5](-[O:6])=[O:10])-[C:7]-[C:8](=[O:9])-[O:11].[c:1]-[N:2]	4	2463,2464,2465,2466
+[C:1](-[C:2]-[O:3]-[C:4])(-[O:5])=[O:6]>>[C:1](-[C:2]-[Cl:7])(-[O:5])=[O:6].[O:3]-[C:4]	4	2482,2483,2485,2489
+[O:1]=[C:2](-[C:3]-[O:4]-[c:5])-[O:6]>>[O:1]=[C:2](-[C:3]-[Cl:7])-[O:6].[O:4]-[c:5]	4	2486,7977,13972,30998
+[c:1]:1:[n:2]:[n:3](:[c:4](:[n:5]):[c:6]:1)-[C:9](-[C:8]-[C:7])-[O:10]>>[c:1]:1:[n:2]:[n:3]:[c:4](:[n:5]):[c:6]:1.[C:7]-[C:8]=[C:9]-[O:10]	4	2531,8028,31130,37028
+[C:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]>>[C:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]	4	2553,39751,53046,54097
+[c:1]-[C:2](-[C:3])(-[C:4])-[c:5](:[c:6]):[c:7]>>[c:1]-[C:2](-[C:3])(-[C:4])-[O:8].[c:5](:[c:6]):[c:7]	4	2877,2883,9591,53456
+[N:1]-[C:2](=[C:3]-[C:4])-[C:6](-[N:5])=[O:7]>>[N:1](-[C:2](=[C:3]-[C:4])-[C:6](-[N:5])=[O:7])-[C:9](=[O:8])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	4	2897,18292,21700,26701
+[c:1]:[c:2](-[S:3]-[C:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:6].[S:3](-[C:4])-[S:8]-[C:7]	4	2930,33626,33627,33630
+[C:1]=[C:2]-[c:3](:[c:4]:[n:5]):[c:6]>>[C:1]=[C:2]-[Sn:10](-[C:9]-[C:8]-[C:7]-[C:20])(-[C:11]-[C:12]-[C:13]-[C:14])-[C:15]-[C:16]-[C:17]-[C:18].[c:3](:[c:4]:[n:5])(:[c:6])-[Br:19]	4	2971,2973,2981,2994
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]=[C:6]):[c:7]>>[C:5](=[C:6])-[Sn:18](-[C:9]-[C:10]-[C:11]-[C:12])(-[C:17]-[C:16]-[C:15]-[C:14])-[C:19]-[C:20]-[C:21]-[C:8].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[Cl:13]	4	2983,2986,2993,2997
+[c:1](:[n:2]:[c:3](-[c:4](:[c:5]):[c:7]:[n:6]):[c:8]):[c:9]>>[c:4](:[c:5])(:[c:7]:[n:6])-[Sn:21](-[C:12]-[C:13]-[C:14]-[C:15])(-[C:20]-[C:19]-[C:18]-[C:17])-[C:22]-[C:23]-[C:10]-[C:11].[c:1](:[n:2]:[c:3](:[c:8])-[Br:16]):[c:9]	4	3001,3002,3003,3004
+[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1-[C:7]-[C:8]>>[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1.[C:7](-[C:8])-[O:17]-[S:14](-[c:13]:1:[c:12]:[c:11]:[c:10](-[C:9]):[c:19]:[c:18]:1)(=[O:15])=[O:16]	4	3018,9923,19092,51151
+[c:1]-[C:2](=[S:3])-[N:4]>>[c:1]-[C:2]#[N:4].[S:3]	4	3046,12917,30956,47371
+[c:1]:1:[n:2]:[s:3]:[c:4]:[c:5]:1-[C:6](-[N:7])=[O:8]>>[c:1]:1:[n:2]:[s:3]:[c:4]:[c:5]:1-[C:6]#[N:7].[O:8]-[S:10](=[O:9])(=[O:11])-[O:12]	4	3089,14379,45807,45819
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6])-[O:9]-[C:8]-[C:7]	4	3113,12682,15150,32607
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]:[c:7]:[n:8]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6]:[c:7]:[n:8])-[O:11]-[C:10]-[C:9]	4	3114,3269,12832,32369
+[c:1](:[c:2]-[C:4](=[O:5])-[N:7](-[C:6])-[C:8]):[o:3]>>[C:6]-[N:7]-[C:8].[c:1](:[c:2]-[C:4](=[O:5])-[O:9]):[o:3]	4	3130,18820,27799,49725
+[C:1]-[N:2](-[C:3])-[C:4](-[C:5](=[O:6])-[c:7])(-[C:8])-[C:9]>>[C:1]-[N:2]-[C:3].[C:4]-1(-[C:5](-[O:6]-[C:10])(-[c:7])-[O:11]-1)(-[C:8])-[C:9]	4	3145,12653,15568,15571
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[O:6]):[c:7](:[c:8]):[c:10](:[c:9]):[n:11]:[c:12]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:15]-[C:14]-[C:13])=[C:12]-[N:11]-[c:10](:[c:7]:[c:8]):[c:9]	4	3160,3163,5895,15938
+[C:1]-[C:2]-[C:3](-[C:4](=[O:5])-[O:6])-[C:7](=[O:8])-[O:9]>>[C:3](-[C:4](=[O:5])-[O:6])-[C:7](=[O:8])-[O:9].[C:1]-[C:2]-[Br:10]	4	3169,3170,3174,3196
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]=[C:2]-[C:3]-[Br:7]	4	3203,3602,3627,54725
+[c:1](:[n:2]:[c:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1):[c:9]):[c:10]>>[c:1](:[n:2]:[c:3](:[c:9])-[Br:11]):[c:10].[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20]	4	3216,28527,29258,29262
+[c:1]:1:[c:2]:[n:3](-[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2):[c:9](:[c:10]):[c:11]:1>>[c:1]:1:[c:2]:[n:3]:[c:9](:[c:10]):[c:11]:1.[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[Br:12]	4	3264,3865,36480,48147
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1>>[c:1]:1:[c:2](:[n:3]:[c:4]:[c:5]:1)-[Cl:6]	4	3318,17838,19780,55882
+[C:1]-[C:2](=[O:3])-[c:4](:[n:5]):[c:6]>>[C:1]=[C:2](-[O:3]-[C:8]-[C:7])-[c:4](:[n:5]):[c:6]	4	3354,10800,27902,51154
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[n:5]:[c:6]:[n:7]:[c:8]:2-[O:10]):[s:9]:1>>[c:1]:1:[c:2]:[c:3](:[c:4](-[N:5]):[s:9]:1)-[C:8](=[O:10])-[O:13]-[C:12]-[C:11].[C:6](-[N:7])=[O:14]	4	3364,15358,16108,39854
+[c:1](-[C:2](-[N:3])=[O:4]):[c:5]:[n:6]>>[c:1](-[C:2]#[N:3]):[c:5]:[n:6].[O:4]-[S:8](=[O:7])(=[O:9])-[O:10]	4	3389,15165,34664,45793
+[c:1]:[c:2](:[c:3])-[N:4]=[N+:6]=[N-:5]>>[c:1]:[c:2](:[c:3])-[F:7].[N-:4]=[N+:6]=[N-:5]	4	3393,40074,41233,47907
+[s:1]:[c:2]:1:[c:3]:[c:4](-[N:5]):[n:6]:[c:7]:[c:8]:1>>[s:1]:[c:2]:1:[c:3]:[c:4](:[n:6]:[c:7]:[c:8]:1)-[Cl:9].[N:5]	4	3401,40858,40882,40940
+[c:1](-[C:2](-[N:3]-[N:4])=[O:5]):[c:6]:[n:7]>>[c:1](-[C:2](=[O:5])-[O:10]-[C:9]-[C:8]):[c:6]:[n:7].[N:3]-[N:4]	4	3412,13265,39851,42217
+[n:1]:1:[c:2]:[c:3]:[c:4]:[c:5]:1-[C:6](-[c:7])=[O:8]>>[n:1]:1:[c:2]:[c:3]:[c:4]:[c:5]:1.[C:6](-[c:7])(=[O:8])-[Cl:9]	4	3430,48907,51233,51235
+[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[O:13])-[C:6]>>[C:1]-[C:2](-[C:6])=[O:12].[C:3](-[C:4](=[O:5])-[O:13])-[P:7](=[O:8])(-[O:9]-[C:10]-[C:11])-[O:16]-[C:15]-[C:14]	4	3482,3485,3489,3496
+[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])-[P:10](-[O:9]-[C:8]-[C:7])(=[O:11])-[O:12]-[C:13]-[C:14].[C:1]-[C:2]=[O:15]	4	3483,3486,3499,3501
+[c:1]:1:[c:2]:2:[n:3]:[c:4]:[n:5](-[O:6]):[c:7]:2:[n:8]:[c:9]:[n:10]:1>>[c:1]:1:[c:2](-[N:3]-[C:4]=[O:11]):[c:7](-[N:5]-[O:6]):[n:8]:[c:9]:[n:10]:1	4	3510,24820,24854,43449
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[C:4](-[C:5]-[C:6](=[O:7])-[O:8])-[Br:9].[C:1]-[N:2]-[C:3]	4	3700,3701,13878,15180
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[C:7]>>[C:6](-[C:7])-[Br:8].[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1	4	3707,8969,23822,29850
+[N:1]#[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[N:6].[N:1]#[C:2]	4	3809,41011,41012,41044
+[C:1](-[C:2](=[O:3])-[O:10])-[N:4]-1-[C:5]-[c:6]:[c:7]-[C:8]-1=[O:9]>>[C:1](-[C:2](=[O:3])-[O:10])-[N:4].[C:5](-[c:6]:[c:7]-[C:8](=[O:9])-[O:12]-[C:11])-[Br:13]	4	3817,12126,26472,26632
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])-[c:13]>>[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:13].[C:6](=[O:7])(-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])-[O:21]-[C:19](-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])=[O:20]	4	3840,16318,20969,21085
+[N:1]-[C:7](-[C:5](=[C:3](-[N:2])-[N:4])-[N:6]=[O:9])=[O:8]>>[N:1]-[C:7](-[C:5]=[C:3](-[N:2])-[N:4])=[O:8].[N:6](-[O:9])=[O:10]	4	3863,12430,16469,47198
+[C:1]-[C:2]-[Cl:3]>>[C:1]-[C:2]-[O:5].[Cl:3]-[C:7](-[Cl:4])(-[Cl:6])-[Cl:8]	4	4055,5344,29582,34862
+[c:1]:[c:2](-[S:3]-[C:4]):[c:5]>>[c:1]:[c:2]:[c:5].[S:3](-[C:4])-[S:7]-[C:6]	4	4112,4115,33624,33629
+[C:1]-[C:2](=[O:3])-[O:4]-[C:6](-[C:5])(-[C:7])-[C:8]>>[C:1]-[C:2](=[O:3])-[O:4].[C:5]-[C:6](-[C:7])(-[C:8])-[O:18]-[C:12](-[N:10](-[C:9])-[C:11])-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17]	4	4134,22116,24236,24237
+[C:1]-[C:2](-[O:3])-[C:4]-[O:5]>>[C:1]-[C:2]=[C:4].[O:3]=[C:7](-[C:6])-[C:8].[O:5]	4	4141,4226,13227,26311
+[C:1]-[C:2]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[C:2]-[O:8].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:7]	4	4175,30750,44966,44975
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[n+:8]:[n:9]:1):[c:7]>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5](:[c:6]:[n+:8]:[n:9]:1):[c:7])-[Cl:10]	4	4214,5963,9974,14373
+[O:1]=[C:2]-1-[c:3]:[c:4]-[C:5](=[O:6])-[N:7]-1-[C:8]>>[O:1]=[C:2]-1-[c:3]:[c:4]-[C:5](=[O:6])-[N:9]-1-[C:13](-[O:12]-[C:11]-[C:10])=[O:14].[N:7]-[C:8]	4	4222,7231,7232,7233
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[c:6]>>[C:1]-[N:2]=[C:3]=[O:4].[O:5]-[c:6]	4	4236,11860,17814,27959
+[c:1](:[c:2]):[n:11]:1:[c:4](:[c:3]):[n:5]:[c:6](-[c:7]):[c:8]:1-[N:9]-[c:10]>>[C:6](-[c:7])=[O:12].[c:1](:[c:2]):[n:11]:[c:4](:[c:3])-[N:5].[C-:8]#[N+:9]-[c:10]	4	4371,25212,43884,44617
+[C:1]=[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[c:7]>>[N:3]-[C:4].[C:1]=[C:2]-[O:8]-[C:5](=[O:6])-[c:7]	4	4412,4451,7986,42007
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[C:6])-[C:7]>>[N:5]-[C:6].[C:1]-[N:2]-[C:7].[C:3](=[O:4])(-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17]	4	4428,7889,19621,22637
+[C:1]-[C:7](-[C:5](=[N:4]-[N:2]-[c:3])-[C:6](=[O:9])-[O:10])=[O:8]>>[C:1]-[C:7](-[C:5]-[C:6](=[O:9])-[O:10])=[O:8].[N:2]-[c:3].[N:4](=[O:11])-[O:12]	4	4561,4562,4563,4564
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[N+:10](=[O:9])-[O-:11]	4	4599,15837,37074,37075
+[C:1]-[O:2]-[C:3]-[c:4](:[c:5]):[n:6]>>[C:1]-[O:2].[C:3](-[c:4](:[c:5]):[n:6])-[Br:7]	4	4621,22581,32736,32788
+[n:1]:[c:2]:[c:3](-[O:4]-[C:5]):[c:6]:[n:7]>>[O:4]-[C:5].[n:1]:[c:2]:[c:3](:[c:6]:[n:7])-[O:8]	4	4685,23023,32304,46944
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]):[n:7]:[c:8]:1>>[N:5]-[C:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[N:12]-[N+:10](=[O:9])-[O-:11]	4	4688,4690,4691,34723
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[s:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[s:7])-[Cl:8].[c:1]-[N:2]	4	4782,38989,42677,45464
+[c:1](:[n:2]):[c:3]-[O:4]-[C:5]-[c:6]>>[C:5](-[c:6])-[Cl:7].[c:1](:[n:2]):[c:3]-[O:4]	4	4895,49004,49756,51158
+[n:1]:[c:5]:[c:3](:[n:2])-[N:4]>>[n:1]:[c:5]:[c:3](:[n:2])-[N+:4](=[O:6])-[O-:7]	4	4915,38973,55945,57331
+[C:1]-[N:2](-[c:3](:[c:4]):[n:9](:[c:6]:[c:5]):[c:8]:[c:7])-[C:10]>>[c:3](:[c:4])(:[n:9](:[c:6]:[c:5]):[c:8]:[c:7])-[F:11].[C:1]-[N:2]-[C:10]	4	4925,4927,13717,13718
+[N:1]-[C:9](-[N:5](-[C:3](-[C:2])-[O:4])-[c:6](:[n:7]):[s:8])=[O:10]>>[N:1]-[C:9](-[N:5]-[c:6](:[n:7]):[s:8])=[O:10].[C:2]-[C:3]=[O:4]	4	4931,5066,11439,25768
+[N:1]-1-[C:2](=[O:3])-[C:4](-[N:5]-[C:6])=[C:7]-[S:8]-1>>[N:5]-[C:6].[N:1]-1-[C:2](=[O:3])-[C:4](=[C:7]-[S:8]-1)-[Cl:9]	4	4957,14416,16137,46284
+[c:1]:1:[c:2](:[c:3]):[n:6](:[c:5]:[c:4]):[c:7]:[n:8]:1>>[C:1](-[c:2](:[c:3]):[n:6]:[c:5]:[c:4])-[N:8]-[C:7]=[O:9]	4	5030,6471,51063,56870
+[c:1]:1(:[n:2]:[c:3]:[c:4](-[C:5](-[N:6])=[O:7]):[c:8]:[n:9]:1)-[O:15]-[n:14](:[c:11](:[c:10]):[c:12]):[n:13]>>[c:1]:1(:[n:2]:[c:3]:[c:4](-[C:5](=[O:7])-[O:16]):[c:8]:[n:9]:1)-[Cl:17].[N:6].[c:10]:[c:11](:[c:12]):[n:14](:[n:13])-[O:15]	4	5060,19076,40999,41000
+[O:1]=[C:2](-[O:3])-[C:4]-[O:5]-[C:6]-[c:7]>>[O:1]=[C:2](-[O:3])-[C:4]-[O:5].[C:6](-[c:7])-[Br:8]	4	5106,26599,37575,54197
+[C:1](=[O:2])-[O:3]-[C:4]-[C:5]>>[C:4](-[C:5])-[Br:6].[C:1](=[O:2])-[O:3]	4	5167,23978,26573,52623
+[c:1]-[N:2](-[C:3]-[C:4])-[S:5]>>[C:3](-[C:4])-[O:6].[c:1]-[N:2]-[S:5]	4	5168,5169,5196,18382
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:6]-[C:7]):[n:8]>>[O:6]-[C:7].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:9]):[n:8]	4	5170,27163,30425,31323
+[C:1]-[N:2]-[c:3](:[n+:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[N:2].[c:3](:[n+:4]:[c:5]:[c:6])(:[c:7])-[Cl:8]	4	5245,36011,36012,46949
+[C:1]-[N:2](-[C:3])-[c:4]:1:[n:5]:[c:6](:[c:7](:[c:8]):[s:10]:1):[c:9]>>[C:1]-[N:2]-[C:3].[c:4]:1(:[n:5]:[c:6](:[c:7](:[c:8]):[s:10]:1):[c:9])-[Cl:11]	4	5307,7824,15044,15045
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1]:[c:2](:[c:3])-[Br:7].[O:4](-[B:5](-[O:6]-[C:13]-[C:14])-[O:10]-[C:9]-[C:8])-[C:11]-[C:12]	4	5386,5388,5389,5390
+[C:1](-[C:2](-[C:3])=[O:7])-[C:4](=[O:5])-[O:6]>>[C:1](-[C:4](=[O:5])-[O:6])-[C:9](=[O:8])-[O:10].[C:2](-[C:3])(=[O:7])-[O:11]	4	5527,5529,5530,5531
+[c:1]:1:[n:2]:[n:3]:2-[C:4](=[O:5])-[C:6]=[C:7](-[c:8])-[N:9]-[c:10]:2:[c:11]:1>>[C:4](=[O:5])(-[C:6]-[C:7](-[c:8])=[O:15])-[O:14]-[C:13]-[C:12].[c:1]:1:[n:2]:[n:3]:[c:10](-[N:9]):[c:11]:1	4	5553,36029,37938,50604
+[C:1]=1-[C:2](=[O:3])-[N:4](-[c:5](:[n:6]):[s:7])-[N:8]-[C:9]=1-[c:10]>>[C:1](-[C:2](=[O:3])-[O:13]-[C:12]-[C:11])-[C:9](-[c:10])=[O:14].[N:4](-[c:5](:[n:6]):[s:7])-[N:8]	4	5554,25473,36307,48323
+[C:1]-[C:2]-[C:3](-[C:4](=[O:6])-[O:7])-[C:5]>>[C:3](-[C:4](=[O:6])-[O:7])-[C:5].[C:1]-[C:2]-[I:8]	4	5586,6597,9548,11761
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2]-[I:5].[N:3]-[C:4]	4	5600,11056,14415,41911
+[n:1]:1:[c:2]:[c:3]:[c:4](-[C:5]-[c:6]):[c:7]:1>>[n:1]:1:[c:2]:[c:3]:[c:4]:[c:7]:1.[C:5](-[c:6])=[O:8]	4	5645,12256,45951,46041
+[n:1]:[c:6]:[c:2]-[O:3]-[C:4]-[C:5]>>[n:1]:[c:6]:[c:2]-[O:3].[C:4](-[C:5])-[O:11]-[S:8](-[C:7])(=[O:9])=[O:10]	4	5654,13481,19837,20379
+[c:1]:[c:2](-[C:3]=[O:5]):[n:4]>>[c:1]:[c:2](-[C:3](-[O:5]-[C:9]-[C:10])-[O:8]-[C:7]-[C:6]):[n:4]	4	5682,12268,29743,31081
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6](:[c:7]):[c:9]:1:[c:8])-[O:10]>>[C:1]-[C:2](-[c:9](:[c:6](-[C:5](=[O:10])-[O:12]):[c:7]):[c:8])=[O:11].[N:3]-[N:4]	4	5734,42200,42241,42244
+[C:1]-[C:2]-[O:3]-[c:4](:[n:5]):[c:6]>>[C:1]-[C:2]-[Br:7].[O:3]-[c:4](:[n:5]):[c:6]	4	5778,6825,29851,50068
+[N:1]-[c:2]:1:[c:3](:[c:4]:[n:5]:[n:6]:1-[c:7])-[C:10](-[O:9])=[O:11]>>[N:1]#[C:2]-[C:3](=[C:4]-[O:8]-[C:13]-[C:12])-[C:10](-[O:9])=[O:11].[N:5]-[N:6]-[c:7]	4	5888,5890,5892,5893
+[C:1]-[N:2]>>[C:1](-[N:2])(-[O:5]-[C:4]-[C:3])=[O:6]	4	5910,9869,51979,54579
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[C-:3](#[N:4])~[Cu+2:9]~[C-:8]#[N:7].[c:1]:[c:2](:[c:5])-[Br:6]	4	5927,37485,41397,41398
+[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1)-[I:6]>>[c:1]:1:[c:2]:[s:3]:[c:4]:[c:5]:1.[I:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	4	6021,16363,26208,31232
+[C:1]-1(-[c:2])=[N:3]-[S:4]-[C:6](=[O:5])-[O:7]-1>>[S:4](-[C:6](=[O:5])-[Cl:8])-[Cl:9].[C:1](-[c:2])(-[N:3])=[O:7]	4	6076,6077,6078,6079
+[C:1]-[S:2]-[c:3](:[n:4]:[n:5]):[c:6]>>[C:1]-[S:2].[c:3](:[n:4]:[n:5])(:[c:6])-[Cl:7]	4	6085,7533,26008,34311
+[c:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:6]=[O:7]>>[c:1]-[C:2]-[Br:8].[N:3](-[C:4]=[O:5])-[C:6]=[O:7]	4	6140,21432,24333,44778
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[s:6])-[c:7]:[c:9]:[n:8]>>[O:1]=[C:2](-[c:7]:[c:9]:[n:8])-[Cl:10].[N:3]-[c:4](:[n:5]):[s:6]	4	6157,6609,6610,6613
+[C:1]-[O:5]-[S:3](=[O:2])(=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]>>[C:1]-[O:5].[O:2]=[S:3](=[O:4])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:15]-[S:13](=[O:12])(=[O:14])-[C:16](-[F:10])(-[F:11])-[F:17]	4	6191,7729,9070,37171
+[C:1](=[O:2])-[O:3]-[C:5](-[C:4])(-[C:6])-[C:7]>>[C:1](=[O:2])-[O:3].[C:4]-[C:5](-[C:6])(-[C:7])-[O:17]-[C:11](-[N:9](-[C:8])-[C:10])-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16]	4	6226,24235,24238,24240
+[c:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[c:1]:[c:2]:[c:5].[C:3]-1-[N:7]-2-[C:6]-[N:14]-3-[C:12]-[N:11]-1-[C:10]-[N:9](-[C:8]-2)-[C:13]-3.[O:4]	4	6230,16174,16175,16176
+[c:1]:[c:2]:[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1:[c:8]>>[c:1]:[c:2]:[n:3]:[c:7](-[N:6]):[c:8].[C:4](-[C:5]=[O:9])-[Cl:10]	4	6240,43241,44582,44590
+[c:1]:[c:4]:1:[c:3](:[c:2]):[c:8]:[c:6](:[o:5]:1)-[c:7]>>[c:1]:[c:4](:[c:3](:[c:2])-[I:9])-[O:5].[C:6](-[c:7])#[C:8]	4	6242,6298,7686,30864
+[C:1](=[O:2])-[c:3]>>[C:1](-[c:3])#[N:7].[O:2]=[C:5](-[C:4])-[O:6]	4	6278,24407,43143,44131
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[Cl:8].[C:1]-[N:2]	4	6496,6605,10076,49157
+[N:1]-[C:6](-[N:3](-[c:2])-[C:4]-[c:5])=[O:7]>>[C:4](-[c:5])-[Br:8].[N:1]-[C:6](-[N:3]-[c:2])=[O:7]	4	6520,25607,39589,54155
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5](-[c:6]:2:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:2):[n:12]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5](:[n:12]:1)-[Cl:13].[c:6]:1(:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[B:15](-[O:14])-[O:16]	4	6545,10235,32501,39945
+[N:1]-[c:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[n:7]:1>>[N:1]#[C:2]-[C:3]-[C:4](-[c:5])=[O:8].[N:6]-[N:7]	4	6595,33551,36832,42307
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[I:6].[C-:3](#[N:4])~[Cu+:7]	4	6744,27692,47505,47529
+[C:1](=[O:2])-[O:9].[c:3]-[C:4](=[O:5])-[c:6](:[c:7]):[c:8]>>[C:1](=[O:2])-[O:9]-[C:4](-[c:3])=[O:5].[c:6](:[c:7]):[c:8]	4	6795,17731,34417,44544
+[c:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1>>[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1.[c:1]-[C:2]-[Cl:8]	4	6839,18905,34238,43049
+[C:1]-[C:2](=[O:3])-[C:4]=[N+:5]=[N-:6]>>[C:4](=[N+:5]=[N-:6])-[Si:8](-[C:7])(-[C:9])-[C:10].[C:1]-[C:2](=[O:3])-[Cl:11]	4	6860,28701,33876,33877
+[O:1]=[S:2](=[O:3])(-[N:4]-[C:5]-[C:7](-[N:6])=[O:9])-[c:8]>>[N:4]-[C:5]-[C:7](-[N:6])=[O:9].[O:1]=[S:2](=[O:3])(-[c:8])-[Cl:10]	4	6878,37819,38132,52638
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:7]-[c:8]>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1.[C:7](-[c:8])-[Cl:9]	4	7017,33564,43075,49917
+[C:1]-[C:2](=[O:3])-[N:4](-[c:5])-[C:6](-[C:7])=[O:8]>>[C:1]-[C:2](=[O:3])-[N:4]-[c:5].[C:6](-[C:7])(=[O:8])-[O:12]-[C:10](-[C:9])=[O:11]	4	7071,7782,16883,16992
+[C:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[N:7]-1-[C:8]>>[C:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[N:7]-1.[C:8]-[I:9]	4	7084,31427,31428,31798
+[c:1]:1:[c:2]:[n:3]:[c:4](-[Cl:5]):[n:6]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:6]:1.[Cl:5]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	4	7086,13418,16550,44356
+[O:1]-[C:2](-[C:3]-[O:5])-[C:4]>>[C:2](=[C:3])-[C:4].[O:1]=[C:9](-[C:8])-[C:10].[O:5]=[Os:12](=[O:6])(=[O:7])=[O:11]	4	7097,26315,26316,26317
+[N:1]-[C:8](-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7])=[O:9]>>[N:1]-[C:8](-[C:2]-[O:3])=[O:9].[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:10]	4	7142,12904,24515,34127
+[c:1]:[c:2](-[C:3]=[C:4]-[C:5](=[O:6])-[O:9]):[c:7]:[n:8]>>[c:1]:[c:2](:[c:7]:[n:8])-[Br:10].[C:3]=[C:4]-[C:5](=[O:6])-[O:9]	4	7149,14014,18086,30594
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7]>>[C:3](-[c:4]:[c:6]:[n:5])-[O:8].[C:1]-[N:2]-[C:7]	4	7160,11607,11608,11609
+[N:1]-[C:2]-[C:3](=[O:4])-[N:5]>>[N:1]-1(-[C:2]-[C:3](=[O:4])-[N:5])-[C:6](=[O:7])-[c:15]:2:[c:10](-[C:9]-1=[O:8]):[c:11]:[c:12]:[c:13]:[c:14]:2	4	7196,18293,21591,55742
+[C:1]-[N:2]=[C:3](-[N:4])-[S:6]-[C:5]>>[C:5]-[I:7].[C:1]-[N:2]-[C:3](-[N:4])=[S:6]	4	7252,31394,31638,31876
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[C:1]-[N:2].[C:3](=[O:4])(-[n:7]:1:[c:8]:[c:9]:[n:10]:[c:11]:1)-[n:16]:2:[c:12]:[n:13]:[c:14]:[c:15]:2	4	7269,13257,14641,37668
+[c:1](:[c:2]):[n:6]:[c:4](:[c:3])-[C:5]#[N:7]>>[c:1](:[c:2]):[n:6]:[c:4](:[c:3])-[Cl:8].[C-:5](#[N:7])~[Cu+:9]	4	7321,12292,12540,38928
+[O:1]=[C:2](-[O:3])-[c:4]:1:[c:5]:[n:6](:[c:7]:[c:8]):[c:10](:[c:9]):[n:11]:1>>[n:6](:[c:7]:[c:8]):[c:10](:[c:9])-[N:11].[O:1]=[C:2](-[O:3])-[C:4](-[C:5]-[Br:13])=[O:12]	4	7322,34360,36996,42817
+[C:1]-[N:2](-[C:3]-[C:4]=[C:5])-[C:6]>>[C:1]=[O:7].[N:2](-[C:3]-[C:4]=[C:5])-[C:6]	4	7384,16489,16683,16701
+[C:1]-[n:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1>>[C:3]-1=[C:4]-[C:9]-2-[C:8]=[C:7]-[C:11]-1-[C:10]-2.[C:1]-[N:2]=[N+:6]=[N-:5]	4	7401,7402,7403,7404
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[N:5])-[O:11]-[C:10]-[C:7](-[Cl:6])(-[Cl:8])-[Cl:9]	4	7463,25405,25434,27822
+[c:1](:[c:2]:[c:4](-[O:5]-[C:6]):[c:7]):[o:3]>>[O:5]-[C:6].[c:1](:[c:2]:[c:4](:[c:7])-[O:8]):[o:3]	4	7467,15394,50288,55957
+[N:1]=[C:2](-[Cl:3])-[C:4]>>[N:1]=[C:2]-[C:4].[Cl:3]-[N:11]-1-[C:6](=[O:5])-[C:7]-[C:8]-[C:9]-1=[O:10]	4	7476,18067,44359,44385
+[C:1]-[C:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[C:2](-[C:3](-[C:4])=[O:5])-[C:10](=[O:6])-[O:9]-[C:8]-[C:7]	4	7482,50075,53016,54180
+[c:1]-[N:2]-[C:3](-[C:4]=[C:5](-[C:6])-[C:7])=[O:8]>>[C:3](-[C:4]=[C:5](-[C:6])-[C:7])(=[O:8])-[Cl:9].[c:1]-[N:2]	4	7507,26244,26245,26247
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5])-[C:6]-[N:7]-[c:8]>>[N:7]-[c:8].[O:1]-[C:2](=[O:3])-[C:4]-1-[O:5]-[C:6]-1	4	7529,26763,27062,42644
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1:2>>[c:5]:1(:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1)-[Cl:11].[c:1]-[C:2](-[N:3]-[N:4])=[O:12]	4	7565,7566,8903,38168
+[N:1]-[c:2](:[n:3]:[n:4]):[c:5]>>[c:2](:[n:3]:[n:4])(:[c:5])-[Cl:6].[N:1]	4	7569,27755,39793,40926
+[c:1]:[c:9]:[n:8]:[c:3](:[c:2])-[N:4]-[c:5]:[c:7]:[n:6]>>[c:1]:[c:9]:[n:8]:[c:3](:[c:2])-[Cl:10].[N:4]-[c:5]:[c:7]:[n:6]	4	7625,11654,43541,48713
+[C:1]-[N:2]-[C:3]>>[C:1]=[O:4].[N:2]-[C:3]	4	7670,10145,16602,16739
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:6](:[s:5]):[c:7]:1-[N:8]-[C:9]>>[N:8]-[C:9].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:6](:[s:5]):[c:7]:1-[Cl:10]	4	7767,9418,9494,22307
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[C:1]-[C:2](=[O:3])-[O:11]-[C:9](-[C:8])=[O:10]	4	7982,16836,16870,17033
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5](-[O:4]-[C:3]):[c:11]:[c:10]:1	4	7994,45322,51956,54422
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[Br:6]):[n:7]:1:[n:8]>>[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:7]:1:[n:8].[Br:6]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	4	8099,8172,8443,8578
+[n:1]:1:[n:2]:[c:3]:[c:4](-[Br:5]):[c:6]:1:[n:7]>>[Br:5]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:6]:1:[n:7]	4	8179,8212,8359,8459
+[n:1]:[c:2]:[c:6]:[c:4](:[c:3])-[Br:5]>>[Br:5]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[n:1]:[c:2]:[c:6]:[c:4]:[c:3]	4	8192,8436,8527,8587
+[n:1]:1:[c:2]:[c:3](-[Br:4]):[c:5]:[c:7]:1:[n:6]>>[Br:4]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[n:1]:1:[c:2]:[c:3]:[c:5]:[c:7]:1:[n:6]	4	8439,8496,8595,8744
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[C:6](-[N:7]-[c:8])=[O:9]>>[O:1]-1-[C:2](=[O:3])-[C:4]-[C:5]-[C:6]-1=[O:9].[N:7]-[c:8]	4	8790,8791,8799,25752
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:7]-[C:6].[N+:4](-[C:5])(=[O:9])-[O-:10]	4	8845,20098,28756,56858
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]=[C:4].[O:3]=[O+:6]-[O-:5]	4	8866,11978,22460,48108
+[N:1]#[C:2]-[C:3]-[C:4](-[C:5])=[O:6]>>[C:4](-[C:5])(=[O:6])-[O:8]-[C:7].[N:1]#[C:2]-[C:3]	4	8941,12075,17191,40222
+[O:1]=[C:2](-[O:3])-[c:4]>>[C:2](-[c:4])#[N:6].[O:3]-[C:5].[O:1]	4	9039,32828,32833,32843
+[C:1]-1-[C:2](=[O:3])-[N:4](-[C:5])-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]-1=[O:11]>>[N:4](-[C:5])=[C:6]=[O:7].[N:8]-[C:9].[C:1](-[C:2](=[O:3])-[Cl:12])-[C:10](=[O:11])-[Cl:13]	4	9064,9066,17811,26943
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[C:6]=[O:7]>>[C:4](-[C:5])-[C:6]=[O:7].[O:1]-[C:2](=[O:3])-[O:9]-[C:8]	4	9133,22844,43124,43125
+[C:1](-[C:2]-[C:3]-[O:4]-[C:5]=[O:6])=[C:7]>>[O:4]-[C:5]=[O:6].[C:1](-[C:2]-[C:3]-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11])=[C:7]	4	9137,11817,45213,45214
+[c:1](:[c:2]-[N:3](-[C:4](=[O:5])-[C:6])-[C:7]):[s:8]>>[C:4](=[O:5])(-[C:6])-[Cl:9].[c:1](:[c:2]-[N:3]-[C:7]):[s:8]	4	9161,9240,9241,27126
+[O:1]=[C:2]-1-[N:3]=[C:4]-[N:5]-[O:6]-1>>[N:3]=[C:4]-[N:5]-[O:6].[O:1]=[C:2](-[n:9]:1:[c:8]:[c:7]:[n:16]:[c:15]:1)-[n:10]:2:[c:11]:[c:12]:[n:13]:[c:14]:2	4	9196,34607,38740,41490
+[c:1]-1:[c:2]-[N:3]-[C:4](=[O:5])-[N:6]-1-[C:7]>>[c:1](:[c:2]-[N:3])-[N:6]-[C:7].[C:4](=[O:5])(-[O:15]-[C:12](-[Cl:11])(-[Cl:13])-[Cl:14])-[O:16]-[C:17](-[Cl:8])(-[Cl:9])-[Cl:10]	4	9219,13548,18941,27119
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5]#[C:6]-[C:7]):[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:8]:1)-[I:9].[C:5]#[C:6]-[C:7]	4	9276,14001,17265,26032
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2]:[c:4].[O:3]-[O:5]	4	9291,13138,47268,47300
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]-[C:2]=[O:5].[C:3](-[c:4])-[P+:10](-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:24]:[c:23]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:3	4	9297,9332,27548,53643
+[C:1]-[N:2]-[C:3](-[N:4]-[C:7]=[O:6])=[S:5]>>[C:1]-[N:2].[C:3](=[N:4]-[C:7]=[O:6])=[S:5]	4	9346,37169,37481,37735
+[c:1]:1:[n:2]:[c:3](:[c:4]):[n:6](:[n:5]):[c:7](-[N:8]):[c:9]:1>>[c:1]:1:[n:2]:[c:3](:[c:4]):[n:6](:[n:5]):[c:7](:[c:9]:1)-[Cl:10].[N:8]	4	9388,22451,39643,40740
+[c:1]:1:[c:2]:[c:3]:[n:4](-[c:5](:[c:6]):[c:7]):[c:8]:1:[c:9]>>[c:5](:[c:6])(:[c:7])-[F:10].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:8]:1:[c:9]	4	9507,18922,35987,36151
+[n:1]:1:[c:2]:[c:3](:[c:4](:[c:5]:1:[n:6]):[c:8]:[n:7])-[I:9]>>[n:1]:1:[c:2]:[c:3]:[c:4](:[c:5]:1:[n:6]):[c:8]:[n:7].[I:9]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15]	4	9574,25800,34384,44393
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[O:4])(-[c:5])=[O:7]	4	9594,13024,13834,15778
+[C:1]-[N:2](-[c:3](:[c:4]:[c:5]:[n:7]):[c:6])-[C:8]>>[C:1]-[N:2]-[C:8].[c:3](:[c:4]:[c:5]:[n:7])(:[c:6])-[Cl:9]	4	9612,25785,32548,32571
+[s:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[n:8]>>[N:5](-[C:6])-[C:7].[s:1]:[c:2](-[C:3](=[O:4])-[O:9]):[n:8]	4	9694,18722,27052,27101
+[C:1]=[C:2]-[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1]=[C:2]-[C:3]-[C:4]-[Br:8]	4	9722,16468,26163,26164
+[N:1]=[C:2](-[N:3])-[N:4]-[O:5]>>[N:1]#[C:2]-[N:3].[N:4]-[O:5]	4	9807,9808,13400,19479
+[c:1]:[c:2](-[N:3]-[C:4]-[C:6](-[N:5])=[O:7]):[c:8]>>[N:3]-[C:4]-[C:6](-[N:5])=[O:7].[c:1]:[c:2](:[c:8])-[F:9]	4	9841,41682,49033,49558
+[C:1]-[C:2](-[C:3])(-[C:4]-[C:5]=[O:6])-[O:8]-[c:7]>>[C:1]-[C:2](-[C:3])=[O:9].[C:4]-[C:5]=[O:6].[c:7]-[O:8]	4	9880,22526,26325,33220
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[n:7]>>[C:1]-[C:2](=[O:3])-[O:8].[N:4]-[c:5](:[n:6]):[n:7]	4	9946,21655,38354,45550
+[c:1]:[c:2]:[c:3]:[n:4]>>[c:1]:[c:2](:[c:3]:[n:4])-[Br:5]	4	9953,33982,34346,48492
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2]#[N:3].[O:4]=[S:6](=[O:5])(-[O:7])-[O:8]	4	10005,45810,45813,45817
+[C:1]-1-[C:2]-[C:3]-[N:4](-[c:5])-[C:6]-1=[O:7]>>[C:1](-[C:2]-[C:3]-[O:12]-[C:8])-[C:6](=[O:7])-[O:11]-[C:10]-[C:9].[N:4]-[c:5]	4	10008,30583,30584,37980
+[c:1]-[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7]>>[N:5]-[N:6]-[C:7].[c:1]-[C:2](-[C:3]=[C:4]-[N:9](-[C:8])-[C:10])=[O:11]	4	10262,11763,22183,22184
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[O:7]-[C:8]>>[O:7]-[C:8].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[F:9]	4	10280,27158,42810,51023
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5])-[C:6]):[n:7]:[c:8]:1>>[C:4](-[C:5])(-[C:6])-[O:9].[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1	4	10289,10659,10805,27178
+[c:1]-[C:2](=[C:3]-[C:4]#[N:5])-[C:6]>>[c:1]-[C:2](-[C:6])=[O:15].[C:3](-[C:4]#[N:5])-[P:10](-[O:9]-[C:8]-[C:7])(=[O:11])-[O:12]-[C:13]-[C:14]	4	10362,16053,34395,43431
+[c:1]:[c:2](-[N:3]-[C:4]-[C:5](=[O:6])-[O:7]):[c:8]>>[N:3]-[C:4]-[C:5](=[O:6])-[O:7].[c:1]:[c:2](:[c:8])-[Br:9]	4	10445,10446,25987,26608
+[C:1](-[C:2])=[O:3]>>[C:1](-[C:2])#[N:9].[O:3]=[C:7](-[O:6]-[C:5]-[C:4])-[C:8]	4	10491,10534,11659,17159
+[n:1]:1:[n:2]:[c:3](-[C:4]):[c:5](-[c:6]):[c:7]:1-[N:8]>>[C:3](-[C:4])(-[C:5](-[c:6])-[C:7]#[N:8])=[O:9].[N:1]-[N:2]	4	10582,42154,42176,42186
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[c:7]:[s:8]>>[N:5]-[c:6].[n:1]:[c:2](-[C:3](=[O:4])-[O:9]):[c:7]:[s:8]	4	10641,16823,20779,27044
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17].[N:5](-[C:6])-[C:7]	4	10706,13667,13668,30003
+[c:1]:[c:2](-[N:3]=[C:5]):[c:4]>>[c:1]:[c:2](:[c:4])-[Br:6].[N:3]=[C:5]	4	10738,31958,51278,52117
+[C:1](=[O:2])-[C:3](-[C:4](=[O:5])-[O:6])=[C:7]-[N:8]-[C:9]>>[N:8]-[C:9].[C:1](=[O:2])-[C:3](-[C:4](=[O:5])-[O:6])=[C:7]-[O:12]-[C:11]-[C:10]	4	11007,11008,11021,12461
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]>>[N:4](-[C:5])-[C:6].[c:1]:[c:2](-[C:3]-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11]):[n:7]	4	11104,12681,13679,45237
+[C:1]-[C:2]-1=[C:3]-[N:4](-[C:5])-[c:6](:[c:7]):[c:8]-[C:9]-1>>[C:1]-[C:2](=[C:3]-[N:4]-[C:5])-[C:9]-[c:8]:[c:6](:[c:7])-[F:10]	4	11177,11178,25014,40081
+[n:1]:[c:2]:1:[c:3](-[C:4]=[C:5]-2-[N:6]-[C:7](=[O:8])-[N:9]-[C:10]-2=[O:11]):[c:12]:[n:13]:[n:14]:1>>[n:1]:[c:2]:1:[c:3](-[C:4]=[O:15]):[c:12]:[n:13]:[n:14]:1.[C:5]-1-[N:6]-[C:7](=[O:8])-[N:9]-[C:10]-1=[O:11]	4	11210,11212,36233,44462
+[n:1]:[c:2]:1:[c:3](-[C:4]=[O:8]):[c:5]:[n:6]:[n:7]:1>>[n:1]:[c:2]:1:[c:3]:[c:5]:[n:6]:[n:7]:1.[C:4](=[O:8])-[N:10](-[C:9])-[C:11]	4	11213,24119,32183,32239
+[n:1]:[c:2](-[N:3](-[C:4])-[S:5](=[O:6])(=[O:7])-[c:8]):[c:9]>>[n:1]:[c:2](-[N:3]-[C:4]):[c:9].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:10]	4	11226,45467,45915,45932
+[O:1]-[C:2](=[O:3])-[C:4]-[c:5](:[c:6]):[c:7]>>[c:5](:[c:6])(:[c:7])-[Br:8].[O:1]-[C:2](=[O:3])-[C:4]-[Zn+:9]	4	11231,18330,18333,18334
+[O:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[C:6](=[C:7]-[c:8](:[c:9]):[o:10])-[S:11]-1>>[C:7](-[c:8](:[c:9]):[o:10])=[O:12].[O:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[C:6]-[S:11]-1	4	11249,14451,27358,44479
+[N+:1](-[c:2](:[c:3]):[c:4])(=[O:5])-[O-:6]>>[c:2](:[c:3]):[c:4].[N:1](=[O:5])-[O:6]	4	11321,45644,47220,47225
+[n:1]:[c:2]:[c:3]:[c:4](-[N:5]-1-[C:6]=[C:7]-[C:8](=[C:9]-[C:10]-1=[O:11])-[O:13]):[c:12]>>[n:1]:[c:2]:[c:3]:[c:4](:[c:12])-[Br:14].[n:5]:1:[c:6]:[c:7]:[c:8](:[c:9]:[c:10]:1-[O:11])-[O:13]	4	11405,19760,23139,23140
+[c:1]:[c:2](:[c:3]:[n:4])-[B:6](-[O:5])-[O:7]>>[c:1]:[c:2](:[c:3]:[n:4])-[Br:8].[O:5]-1-[B:6](-[O:7]-[C:17](-[C:14]-1(-[C:15])-[C:16])(-[C:18])-[C:19])-[B:13]-2-[O:12]-[C:10](-[C:9])(-[C:11])-[C:21](-[O:20]-2)(-[C:22])-[C:23]	4	11411,13395,26098,28269
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1):[c:8]>>[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:1)-[I:13].[c:1]:[c:2](:[c:8])-[B:18]-1-[O:9]-[C:10](-[C:11])(-[C:12])-[C:15](-[C:14])(-[C:16])-[O:17]-1	4	11442,11456,29077,29078
+[c:1]-[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2](-[C:3])-[Br:7]	4	11527,11528,15719,19704
+[c:1]-[C:2](=[O:3])-[N:4]-[N:5]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]>>[c:1]-[C:2](=[O:3])-[O:13].[N:4]-[N:5]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]	4	11538,24013,24015,24016
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8]>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8])-[S:11](-[C:10])=[O:12]	4	11633,11634,12376,22312
+[C:1]-[S:2](=[O:3])-[c:4]>>[C:1]-[S:2]-[c:4].[O-:3]-[I+3:6](-[O-:5])(-[O-:7])-[O:8]	4	11657,15513,44836,44837
+[c:1](:[n:2]):[c:3]-[O:4]-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])-[Br:8].[c:1](:[n:2]):[c:3]-[O:4]	4	11677,12099,26354,26359
+[C:1](=[O:2])(-[C:3](-[C:4])(-[c:5])-[C:6])-[O:7]>>[C:1](=[O:2])(-[C:3](-[c:5])-[C:6])-[O:7].[C:4]-[I:8]	4	11694,31498,31652,31736
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[I:10].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[B:12](-[O:11])-[O:13]	4	11727,49262,53697,55564
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[o:6]:1):[c:7]):[c:8]>>[C:1]-[C:2](-[N:3]-[c:4](:[c:5](-[O:6]):[c:7]):[c:8])=[O:9]	4	11811,22110,56427,57016
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:6]>>[n:1]:[c:2]:[c:3]-[C:4]=[O:5].[O:6]-[P:8](=[O:7])(-[O:9])-[O:10]	4	11816,30829,44824,47330
+[S:1](-[c:2](:[c:3]:[c:5]:[n:4]):[c:6])-[C:7]>>[S:1]-[C:7].[c:2](:[c:3]:[c:5]:[n:4])(:[c:6])-[Br:8]	4	11819,34110,47459,51124
+[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:7])(-[c:6])-[O:8]>>[C:1]-[C:2](-[c:6])=[O:8].[C:3](-[C:4](=[O:5])-[O:7])-[Br:9]	4	11845,29502,30667,30697
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[N:2].[N:5](-[C:6])-[C:7].[C:3](=[O:4])(-[Cl:8])-[O:18]-[c:17]:1:[c:9]:[c:10]:[c:14](-[N+:12](=[O:11])-[O-:13]):[c:15]:[c:16]:1	4	11996,12578,13797,27841
+[C:1]-[N:2]-[c:3]:1:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1>>[c:3]:1(:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1)-[Br:11].[C:1]-[N:2]	4	12032,14203,36111,48146
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6](:[n:7]):[c:8])-[C:9]>>[C:1]-[N:2]-[C:9].[S:3](=[O:4])(=[O:5])(-[c:6](:[n:7]):[c:8])-[Cl:10]	4	12115,23194,23587,34062
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]:[n:7]):[c:9]:[n:8]>>[C:1]-[C:2](=[O:3])-[O:11]-[C:10].[N+:4](-[c:5](:[c:6]:[n:7]):[c:9]:[n:8])(=[O:12])-[O-:13]	4	12197,26992,40181,57315
+[N:1]-[C:2](=[O:3])-[C:4]=[C:5]>>[C:2](=[O:3])(-[C:4]=[C:5])-[O:6].[N:1]	4	12282,28653,40200,40876
+[C:1]-[N:2](-[C:3]-[C:4]=[C:5])-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[Cl:9].[C:1]-[N:2]-[C:3]-[C:4]=[C:5]	4	12361,12667,29346,43061
+[N:1]-[C:2](=[O:3])-[O:4]-[c:5]>>[O:4]-[c:5].[N:1]-[C:2](=[O:3])-[Cl:6]	4	12419,14346,31924,55526
+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:[c:6]:1-[N:7]-[C:8]):[n:9]>>[N:7]-[C:8].[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:[c:6]:1-[Cl:10]):[n:9]	4	12462,22657,23571,49741
+[n:1]:[c:2](:[c:3])-[C:5](-[C:4])-[N:6]-[C:7]>>[N:6]-[C:7].[n:1]:[c:2](:[c:3])-[C:5](-[C:4])=[O:8]	4	12486,41773,41967,55768
+[N:1]#[C:2]-[C:3](=[C:4](-[c:5])-[Cl:9])-[C:7](-[N:6])=[O:8]>>[N:1](-[C:2](-[C:3](=[C:4](-[c:5])-[O:21])-[C:7](-[N:6])=[O:8])=[O:14])-[C:15]-1-[C:16]-[C:17]-[C:18]-[C:19]-[C:20]-1.[Cl:9]-[P:11](=[O:10])(-[Cl:12])-[Cl:13]	4	12502,12505,12506,35454
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[n:6]:[c:7]:2:[c:8]:[n:9]:[c:10]:[n:11]:1:2>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[n:11]:1:[c:7]:[c:8]:[n:9]:[c:10]:1.[N:6](=[O:12])-[O:13]	4	12563,38695,38697,40089
+[c:1](:[c:2]:[n:8])-[N:4](-[C:3])-[C:5](=[O:6])-[C:7]>>[c:1](:[c:2]:[n:8])-[N:4]-[C:3].[C:5](=[O:6])(-[C:7])-[Cl:9]	4	12597,15253,43945,49358
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:3](-[c:4])=[O:5].[C:1]-[C:2]-[P+:10](-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:24]:[c:23]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:3	4	12630,20516,48478,51040
+[C:1]-[n:2]:1:[n:3]:[c:4](-[C:5](=[O:9])-[O:10]):[c:6]:[c:7]:1-[c:8]>>[C:4](-[C:5](=[O:9])-[O:10])(-[C:6]-[C:7](-[c:8])=[O:12])=[O:11].[C:1]-[N:2]-[N:3]	4	12652,17850,26802,26803
+[C:1]-[O:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[O:2].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[O:8]	4	12654,30327,36758,47369
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:6]):[c:7]>>[c:3](:[c:4]:[n:5])(:[c:6])-[Br:8].[c:1]:[c:2](:[c:7])-[O:12]-[B:10](-[O:9])-[O:11]	4	12849,15851,24478,54584
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[c:8]):[n:10]:1:[n:9]):[c:11]>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[c:8]):[n:10]:1:[n:9])-[Cl:13].[c:1]:[c:2](:[c:11])-[B:15](-[O:12])-[O:14]	4	12898,25760,43929,50463
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7]-[C:8]>>[C:7](-[C:8])-[Cl:9].[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1	4	12937,13245,32286,32313
+[C:1]-[C:2]-1(-[C:3]-[O:4]-1)-[c:5]>>[C:3]-1-[O:8]-[C:7]-[C:6]-[C:9]-1.[C:1]-[C:2](=[O:4])-[c:5]	4	13107,13115,13121,13128
+[n:1]:[c:2]:[c:3](-[C:4]-1-[C:5]-[C:6]-1):[c:7]>>[n:1]:[c:2]:[c:3](:[c:7])-[Br:8].[C:4]-1(-[C:5]-[C:6]-1)-[B-:10](-[F:9])(-[F:11])-[F:12]	4	13130,36890,37935,40247
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:3](-[C:5])#[N:6].[C:1]-[O:2].[O:4]-[S:8](=[O:7])(=[O:9])-[O:10]	4	13184,17168,26216,30301
+[N:1]-[C:2]>>[N:1]-[C:2](-[O:4]-[C:3])=[O:5]	4	13200,25743,52394,56961
+[N+:1]-[C:2]=[C:3](-[N:4]-[C:5])-[N:6]>>[N+:1]-[C:2]=[C:3](-[N:6])-[S:8]-[C:7].[N:4]-[C:5]	4	13207,26265,30171,31249
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]:[n:7]>>[c:1]:[c:2](:[c:6]:[n:7])-[I:8].[N:3](-[C:4])-[C:5]	4	13208,15724,18874,19643
+[n:1]:[c:2]:[c:5](:[c:4]:[n:3])-[C:6]-[C:7]-[C:8]>>[n:1]:[c:2]:[c:5](:[c:4]:[n:3])-[C:6]#[C:7]-[C:8]	4	13224,20369,52637,56609
+[N:1]=[C:2]-[C:3]=[C:4]-[c:5]>>[N:1]=[C:2]-[C:3].[C:4](-[c:5])=[O:6]	4	13237,41717,44475,54141
+[c:1]:[c:2](-[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Cl:9].[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1	4	13277,33381,35980,38922
+[n:1]:[c:2]:[c:3](-[C:4]-[O:5]):[n:6]>>[n:1]:[c:2]:[c:3](-[C:4](-[O:5])=[O:7]):[n:6]	4	13329,34624,57042,57207
+[C:1]-[C:2](-[C:3]#[N:4])-[O:5]>>[C:1]-[C:2]=[O:5].[C:3]#[N:4]	4	13431,29699,41169,41170
+[n:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[c:9]:1:[n:10]>>[n:1]:1:[c:2]:[c:3]:[c:4](:[c:8]:[c:9]:1:[n:10])-[Br:11].[c:5](:[c:6])(:[c:7])-[B:13](-[O:12])-[O:14]	4	13563,19561,53041,54958
+[n:1]:1:[c:2](-[N:3](-[C:4])-[C:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:3](-[C:4])-[C:5].[n:1]:1:[c:2](:[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10])-[Cl:11]	4	13659,35857,35858,41616
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:9]:1:[n:8])-[C:10]>>[C:1]-[N:2]-[C:10].[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:9]:1:[n:8])-[Cl:11]	4	13716,18457,19727,23659
+[C:1]-[N:2](-[C:3](-[c:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[c:4])(-[c:5])-[Cl:7]	4	13735,13786,13829,15064
+[C:1]-[N:2](-[c:3](:[c:4]):[c:7]:[c:6]:[n:5])-[C:8]>>[C:1]-[N:2]-[C:8].[c:3](:[c:4])(:[c:7]:[c:6]:[n:5])-[F:9]	4	13756,14878,15661,15673
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]:[n:6]):[s:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[c:4](:[c:5]:[n:6]):[s:7])=[O:9]	4	13760,14857,15547,19137
+[O:1]=[C:2](-[N:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2](-[N:3])-[O:12]-[C:11]-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10]	4	13896,15204,15208,34860
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]):[n:7]:[c:8]:[c:9]>>[N:3]-[C:4](=[O:5])-[N:6].[c:1]:[c:2](:[n:7]:[c:8]:[c:9])-[Cl:10]	4	13929,30285,31966,35862
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5]>>[C:3](=[O:4])(-[N:5])-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[N+:7](=[O:6])-[O-:8]):[c:15]:[c:14]:1.[C:1]-[O:2]	4	13935,19743,32385,43779
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]):[c:8]>>[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:18].[c:1]:[c:2](:[c:8])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	4	14066,28325,29036,29101
+[C:1]-1-[C:2]-[O:3]-1>>[C:1](-[C:2]-[Cl:4])-[O:3]	4	14082,23240,23274,55019
+[c:1]-[N:2]-[C:3](=[O:6])-[O:7]-[C:4]=[O:5]>>[c:1]-[N:2].[C:4](=[O:5])-[O:7].[C:3](=[O:6])(-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[Cl:13]	4	14231,32468,34870,34872
+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-1-[C:8]>>[C:1]-[C:2](-[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-[C:8])=[O:9]	4	14247,52095,52543,53466
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]>>[C:3](=[O:4])(-[N:5])-[Cl:6].[c:1]-[N:2]	4	14344,24181,27475,43524
+[C:1](-[c:2](:[c:3]):[o:4])=[O:5]>>[C:1](-[c:2](:[c:3]):[o:4])(-[O:5]-[C:9]-[C:10])-[O:8]-[C:7]-[C:6]	4	14455,27359,43419,43420
+[C:1]-[C:2](=[N:3]-[N:4]-[C:5]=[O:6])-[c:7]>>[N:3]-[N:4]-[C:5]=[O:6].[C:1]-[C:2](-[c:7])=[O:8]	4	14468,14469,36139,42346
+[c:1]-[C:2]-1=[N:3]-[C:4]-[C:5]-[N:6]-1>>[c:1]-[C:2]#[N:7].[N:3]-[C:4]-[C:5]-[N:6]	4	14512,27678,33516,42130
+[c:1]-[N:2]>>[c:1]-[N:2]-[C:7](-[O:6]-[C:5]-[C:4]=[C:3])=[O:8]	4	14561,19323,25724,27793
+[c:1]-[O:2]-[C:3]-[c:4](:[c:5]:[s:6]):[n:7]>>[C:3](-[c:4](:[c:5]:[s:6]):[n:7])-[Cl:8].[c:1]-[O:2]	4	14587,15959,22739,48729
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[c:8]:[n:9]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[c:2]:[n:3]:[c:4](:[c:8]:[n:9]:1)-[Br:10]	4	14908,15161,15697,19690
+[O:1]=[C:2](-[c:3](:[n:4]):[n:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[O:1]=[C:2](-[c:3](:[n:4]):[n:5])-[O:9]	4	15136,16223,22684,30844
+[O:1]-[C:2]-[C:3]-[O:4]-[c:5]>>[O:1]-1-[C:2]-[C:3]-[O:8]-[C:7]-1=[O:6].[O:4]-[c:5]	4	15292,15293,15294,15295
+[N:1]-[N:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[F:6].[N:1]-[N:2]	4	15497,42171,42173,42297
+[c:1]:1:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7](:[c:8]:[c:9]):[c:11](:[c:10]):[n:12]:1>>[C:3]=[O:13].[N:4](-[C:5])-[C:6].[c:1]:1:[c:2]:[n:7](:[c:8]:[c:9]):[c:11](:[c:10]):[n:12]:1	4	15531,15533,15536,16629
+[c:1]:1:[c:2](:[s:3]):[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:[c:9]:[n:10]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[c:2](:[s:3]):[c:4](:[n:8]:[c:9]:[n:10]:1)-[Cl:11]	4	15689,20467,26815,32696
+[O:1]=[C:2](-[C:3])-[N:4]-[C:5](=[S:6])-[N:7]-[c:8]>>[N:7]-[c:8].[O:1]=[C:2](-[C:3])-[N:4]=[C:5]=[S:6]	4	15783,50773,50782,52240
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[N:6]):[c:7]>>[N:5]-[N:6].[n:1]:[c:2](-[C:3](=[O:4])-[O:8]):[c:7]	4	15855,15856,15857,19526
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]-[c:7]:[c:8]:[n:9]>>[N:6]-[c:7]:[c:8]:[n:9].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[F:10]	4	15858,24141,43881,45183
+[N:1]-[C:2]=[N:3]-[C:4]=[O:5]>>[N:3]-[C:4]=[O:5].[N:1]-[C:2](-[O:7]-[C:6])-[O:8]-[C:9]	4	15861,18517,27977,43159
+[c:1]:[c:2]:1:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[c:9]:[c:10]:1>>[c:1]:[c:2]:1:[n:3]:[c:4](:[n:8]:[c:9]:[c:10]:1)-[Cl:11].[c:5](:[c:6])(:[c:7])-[B:13](-[O:12])-[O:14]	4	15887,15975,15976,18431
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:11]-[C:10]-[C:9].[N:1]-[N:2]	4	15889,30834,38379,42177
+[N:1]=[C:2](-[C:3](=[O:6])-[N:8](-[O:7])-[C:9])-[C:4]=[O:5]>>[N:1]=[C:2](-[C:3](=[O:6])-[O:10])-[C:4]=[O:5].[O:7]-[N:8]-[C:9]	4	15905,40208,40273,41504
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1:2>>[C:1]-[C:2](-[N:3]-[N:4])=[O:12].[c:5]:1(:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1)-[Cl:11]	4	15951,36813,42342,54357
+[C:1]-[C:2](=[N:3])-[N:7](-[C:5](-[c:4])=[O:6])-[c:8]>>[C:1]-[C:2](=[N:3])-[O:9]-[C:5](-[c:4])=[O:6].[N:7]-[c:8]	4	16471,16472,48895,50240
+[C:1]-[C:2](-[C:3]-[C:4]-[C:5](=[O:6])-[C:7])(-[C:8]=[O:10])-[C:9]>>[C:3]=[C:4]-[C:5](=[O:6])-[C:7].[C:1]-[C:2](-[C:8]=[O:10])-[C:9]	4	16514,16516,16519,29640
+[C:1]-[C:2](=[C:3])-[C:4]=[O:5]>>[C:3]=[O:6].[C:1]-[C:2]-[C:4]=[O:5]	4	16616,16617,16719,16750
+[c:1]-[N:2](-[C:3])-[C:4]>>[C:4]=[O:7].[C:3]-[C:6]#[N:5].[c:1]-[N:2]	4	16696,16697,16698,16699
+[c:1](-[N:2]-[C:3](-[C:4])=[O:5]):[c:6]:[n:7]>>[c:1](-[N:2]):[c:6]:[n:7].[C:3](-[C:4])(=[O:5])-[O:11]-[C:9](-[C:8])=[O:10]	4	16829,16989,17097,17111
+[c:1]:1:[n:2]:[n:3]:[c:5](:[c:4]):[c:6]:1-[C:7](-[C:8])=[O:9]>>[C:7](-[C:8])(=[O:9])-[O:13]-[C:11](-[C:10])=[O:12].[c:1]:1:[n:2]:[n:3]:[c:5](:[c:4]):[c:6]:1	4	16899,17022,17040,17065
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2](=[O:3])-[O:10]-[C:8](-[C:7])=[O:9].[c:4](:[c:5]):[c:6]	4	16971,17008,17017,17018
+[C:1]#[C:2]>>[C:1](#[C:2])-[C:4](-[C:3])(-[C:5])-[O:6]	4	17147,26040,26041,53507
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[c:3](:[c:4])(:[c:5])-[I:8]	4	17233,39131,40339,48643
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:7](:[c:6])-[N:8]	4	17276,21827,37244,37588
+[C:1]-[C:2]-1(-[O:3]-[C:4]-1)-[C:5]>>[C:1]-[C:2](=[O:3])-[C:5].[C:4]-[S+:7](-[C:6])(-[C:8])=[O:9]	4	17290,22505,33648,33649
+[C:1]-[C:2](=[C:3])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:5].[C:3]-[P+:10](-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:24]:[c:23]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:3	4	17595,21990,52614,54560
+[c:1]:[c:2](-[C:3](=[O:4])-[Cl:6]):[s:5]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:10]):[s:5].[Cl:6]-[S:8](=[O:7])-[Cl:9]	4	17608,35645,35646,35678
+[c:1](-[C:2]-[N:3]-[c:4]):[c:5]:[n:6]>>[N:3]-[c:4].[c:1](-[C:2]=[O:7]):[c:5]:[n:6]	4	17884,42592,44825,49692
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:10](:[c:9]):[c:11]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5].[C:6](=[O:7])(-[c:10](:[c:9]):[c:11])-[O:21].[N:8](=[N+:23]=[N-:22])-[P:24](-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)(=[O:25])-[c:26]:2:[c:14]:[c:13]:[c:12]:[c:28]:[c:27]:2	4	17951,17967,17968,17974
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:8](=[O:7])-[c:9]:1:[c:6]:[c:5]:[c:12](:[c:11]:[c:10]:1)-[N+:13](=[O:3])-[O-:4]	4	18076,23540,53657,56486
+[c:1](:[c:2](-[C:3]-[O:4]-[c:5]):[s:6]):[n:7]>>[O:4]-[c:5].[c:1](:[c:2](-[C:3]-[Cl:8]):[s:6]):[n:7]	4	18350,18357,39324,39357
+[C:1]-[C:2]-[O:3]-[C:5](-[C:4])=[O:6]>>[C:1]-[C:2]-[Cl:7].[O:3]-[C:5](-[C:4])=[O:6]	4	18387,32321,44112,44124
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:7](=[O:8])-[N:9]>>[C:7](=[O:8])(-[N:9])-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:1.[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	4	18425,29729,42637,50177
+[C:1](-[C:2]-[O:3])-[N:4]>>[C:1]-1-[C:2]-[O:3]-[C:9](-[N:4]-1-[C:7](-[O:6]-[C:13](-[C:5])(-[C:12])-[C:14])=[O:8])(-[C:10])-[C:11]	4	18566,18610,21980,21981
+[n:1]:1:[c:2](:[c:3](:[c:4]:[n:5]):[c:7](-[c:8](:[c:9]):[c:10]):[c:11]:1):[n:6]>>[n:1]:1:[c:2](:[c:3](:[c:4]:[n:5]):[c:7](:[c:11]:1)-[I:12]):[n:6].[c:8](:[c:9])(:[c:10])-[B:14](-[O:13])-[O:15]	4	18758,27871,27872,34001
+[C:1]-[C:2](-[F:3])-[C:4]>>[C:1]-[C:2](-[C:4])-[O:13].[F:3]-[S:10](-[N:7](-[C:6]-[C:5])-[C:8]-[C:9])(-[F:11])-[F:12]	4	18759,22577,39700,40242
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2](=[O:4])-[O:7]-[C:6]-[C:5].[N:3]-[C:9]=[O:8]	4	19050,32433,32440,44606
+[N:1]-1-[C:2]-[C:3]-[C:4](-[C:5])-[C:6]-[C:7]-1>>[n:1]:1:[c:2]:[c:3]:[c:4](-[C:5]):[c:6]:[c:7]:1	4	19107,57077,57080,57081
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:9]-[S:6](-[C:5])(=[O:7])=[O:8].[c:1]-[N:2]	4	19589,45218,45221,45225
+[C:1]-[C:2](-[C:3])-[S:4]-[C:5](-[C:6])=[O:7]>>[C:1]-[C:2](-[C:3])-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11].[S:4]=[C:5](-[C:6])-[O:7]	4	19872,20405,24997,45857
+[C:1]-[C:2](-[O:3])-[c:4]:[c:5]:[n:6]>>[C:2](=[O:3])-[c:4]:[c:5]:[n:6].[C:1]-[Mg:8]-[Br:7]	4	20274,27637,34097,47587
+[C:1]-[O:2]-[C:3]-[c:4](:[n:5]):[n:6]>>[C:1]-[O:2].[C:3](-[c:4](:[n:5]):[n:6])-[Cl:7]	4	20393,33096,53377,56579
+[N:1](-[C:2](-[C:3])-[c:4])(-[C:6]=[O:5])-[C:7]=[O:8]>>[C:2](-[C:3])(-[c:4])-[O:9].[N:1](-[C:6]=[O:5])-[C:7]=[O:8]	4	20412,20456,36837,38466
+[C:1]-[C:2](=[O:3])-[N:4]-[N:5]>>[C:1]-[C:2](=[O:3])-[N:4]-[N:5]-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	4	20626,20628,20632,24023
+[N:1]-[N:2]>>[N:1]-[N:2]-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]	4	20635,20640,20641,24010
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[N:6]):[n:7]:[o:8]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5]#[N:6])-[F:12].[N:7](-[O:8])-[C:10](-[C:9])=[O:11]	4	20708,39974,41349,41489
+[C:1]-[C:2](-[N:3]=[N+:6]=[N-:5])-[C:4]>>[C:1]-[C:2](-[C:4])-[O:7].[N-:3]=[N+:6]=[N-:5]	4	20872,29524,36463,47953
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:19]-[C:17](-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15])=[O:18].[c:1]-[C:2]=[O:20].[N:3]-[C:4]	4	20912,21005,21183,21291
+[C:1](-[N:2]-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10])=[N:3]>>[C:4]-[C:5](-[C:6])(-[C:7])-[O:8]-[C:9](=[O:10])-[O:18]-[C:16](-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14])=[O:17].[C:1](-[N:2])=[N:3]	4	20981,21086,21103,21126
+[c:1]:1(:[n:2]:[c:3]:[c:4]:[o:5]:1)-[Cl:6]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[o:5]:1.[Cl:6]-[C:11](-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10])(-[Cl:12])-[Cl:13]	4	21459,29501,34817,34819
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:7](=[O:6])-[O:8]-[C:9]-[C:10]-1-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]-1:3	4	21628,49858,49865,55806
+[C:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:6]=[O:7]>>[C:1]-[C:2]-[O:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:18](:[c:16]:[c:15]:1)-[C:17])(=[O:12])=[O:13].[N:3](-[C:4]=[O:5])-[C:6]=[O:7]	4	21679,24379,53981,55447
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9]	4	22143,23955,28789,45233
+[C:1]-[C:2]=[C:3]>>[C:1]-[C:2]=[O:22].[C:3]-[P+:7](-[c:6]:1:[c:5]:[c:4]:[c:23]:[c:21]:[c:20]:1)(-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3	4	22220,53687,54261,55461
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5])-[c:6]>>[C:1]-[N:2]-[c:6].[C:3](=[O:4])(-[N:5])-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10](-[N+:8](=[O:7])-[O-:9]):[c:16]:[c:15]:1	4	22373,24313,52956,55076
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2]=[C:3](-[C:7])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17].[c:4](:[c:5])(:[c:6])-[B:8](-[O:9])-[O:18]	4	22421,22422,38205,38206
+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[C:8]):[o:9]:1>>[n:1]:[c:2]:[c:3]-[C:4](-[N:5]-[N:6]-[C:7](-[C:8])=[O:10])=[O:9]	4	22559,48957,51072,51250
+[c:1]-[S:2](-[C:3])(=[O:4])=[O:5]>>[c:1]-[S:2](-[C:3])=[O:5].[O:4]=[C:8](-[O:7]-[O:6])-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13](-[Cl:14]):[c:15]:1	4	22609,27805,36669,36708
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[S:7]-[C:8]>>[S:7]-[C:8].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:9]	4	22733,29772,36940,47469
+[n:1]:1:[c:2](-[Cl:3]):[c:4]:[c:5]:[c:6]:1>>[n:1]:1:[c:2]:[c:4]:[c:5]:[c:6]:1.[Cl:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	4	23114,36864,44334,44375
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8]):[n:11]>>[c:1]:[c:2](-[C:3]=[N:4]-[N:5]-[c:6](:[c:7]):[n:10]:[c:9]:[c:8]):[n:11]	4	23637,23800,25292,57311
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5])-[N:6](-[C:7])-[C:8]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5])-[Br:9].[N:6](-[C:7])-[C:8]	4	23645,39482,49514,49515
+[c:1]-[N:2]-1-[C:3]-[C:4]-[O:5]-[C:6]-1=[O:7]>>[c:1]-[N:2]-[C:3]-[C:4]-[O:5].[C:6](=[O:7])(-[Cl:8])-[Cl:9]	4	23722,23723,23724,23725
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1-[C:10]-[c:9]:2:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:2	4	24005,52263,52819,56901
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[N:7]):[s:8]:[c:9]:2:[n:10]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](-[N:5]):[c:9]:[n:10]:1.[C:6](#[N:7])-[S:8]	4	24086,26202,47470,47484
+[O:1]-[C:2](=[O:3])-[C:4]>>[C:2](=[O:3])-[C:4].[O:1]	4	24142,33961,40022,41587
+[n:1]:[c:2]:[c:3]-[C:4]-[C:5](=[O:6])-[O:7]>>[n:1]:[c:2]:[c:3]-[C:4](-[C:5](=[O:6])-[O:7])=[O:8]	4	24145,45681,46025,46026
+[c:1](:[c:2]-[O:3]):[n:4]>>[c:1](:[c:2]-[O:3]-[C:6](-[C:5])=[O:7]):[n:4]	4	24258,43606,44075,49005
+[C:1]-[C:3](-[c:2])(-[c:4](:[c:5]):[c:6])-[O:7]>>[c:4](:[c:5])(:[c:6])-[Br:8].[C:1]-[C:3](-[c:2])=[O:7]	4	25259,25674,36825,52682
+[C:1]-[n:2]:1:[n:3]:[c:4]:[c:5]:[c:7]:1:[c:6]>>[n:2]:1:[n:3]:[c:4]:[c:5]:[c:7]:1:[c:6].[C:1]-[I:8]	4	25270,26849,31388,31598
+[c:1]:[c:2](:[c:3])-[B:6](-[O:4])-[O:5]>>[c:1]:[c:2](:[c:3])-[Br:7].[O:4]-[B:6](-[O:5])-[O:9]-[C:8]	4	25472,43089,43095,43096
+[c:1](-[C:2](=[O:3])-[O:6]):[c:4]:[n:5]>>[c:1](-[C:2]#[N:7]):[c:4]:[n:5].[O:6]-[C:9]-[C:8].[O:3]	4	25504,27649,28775,30328
+[O:1]-[C:2](=[O:3])-[C:4](=[O:5])-[C:6]-[c:7]>>[C:6]-[c:7].[O:1]-[C:2](=[O:3])-[C:4](=[O:5])-[O:10]-[C:9]-[C:8]	4	25526,30889,30892,30918
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[C:2]#[N:3].[N+:4](=[N-:5])=[N:6]-[Si:8](-[C:7])(-[C:9])-[C:10]	4	25618,34147,34148,34150
+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[C:7]-1=[C:8]-[N:9]>>[c:1]-[C:2]=1-[N:3]-[N:4]-[C:5](=[O:6])-[C:7]=1.[C:8](-[N:9])(-[O:10]-[C:13])-[O:11]-[C:12]	4	25676,43167,43182,43183
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2]-[O:7].[Cl:3]-[C:5](-[Cl:4])-[Cl:6]	4	25715,34486,35000,35004
+[c:1]:[c:2](-[N:3]-[S:4](=[O:5])(=[O:6])-[c:7]):[n:8]>>[c:1]:[c:2](-[N:3]):[n:8].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:9]	4	25774,34682,45476,55587
+[c:1]:[c:2](-[N+:3](=[O:4])-[O-:5]):[c:6]>>[c:1]:[c:2]:[c:6].[N+:3](=[O:4])=[O:5]	4	25855,37222,39092,46324
+[O:1]=[C:2](-[C:3])-[O:4]>>[O:1]=[C:2](-[C:3])-[O:4]-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7](-[O:6]-[C:5]):[c:13]:[c:12]:1	4	25870,54408,54414,56515
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2](=[O:4])-[Cl:5].[N:3]	4	25871,26109,28615,40915
+[C:1]-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[c:9]:1-[C:10](=[O:11])-[O:12]>>[C:1]-[C:2]#[C:9]-[C:10](=[O:11])-[O:12].[N:3]-[n+:4](:[c:5]:[c:6]):[c:8]:[c:7]	4	26039,26364,30534,30548
+[c:1]:[c:2](-[N:3]-[c:4](:[c:5]):[c:6]):[s:7]>>[c:1]:[c:2](-[N:3]):[s:7].[c:4](:[c:5])(:[c:6])-[Br:8]	4	26080,42564,42565,42566
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]-[O:7]-[c:8]>>[O:7]-[c:8].[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]-[Cl:9]	4	26105,27673,39325,51428
+[c:1]:1:[c:2]:[c:3]:[c:4](-[Cl:5]):[s:6]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[s:6]:1.[Cl:5]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	4	26207,44343,44366,44371
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8]>>[C:5](=[C:6])(-[C:7])-[C:8].[C:1]-[C:2](=[O:3])-[O:4]	4	26222,26234,26235,26237
+[C:1](=[O:2])-[O:3]-[C:4](-[C:5])(-[C:6])-[C:7]>>[C:4](-[C:5])(=[C:6])-[C:7].[C:1](=[O:2])-[O:3]	4	26231,26232,26233,26238
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[c:10]:1-[C:11]>>[C:1]-[C:2](-[C:10](-[C:8](=[O:9])-[O:14]-[C:13]-[C:12])-[C:11])=[O:15].[N:3]-[c:4](:[c:5]):[c:7]:[c:6]	4	26513,42601,42602,42603
+[n:1]:[c:2](-[C:3]-[Cl:5]):[n:4]>>[n:1]:[c:2](-[C:3]-[O:9]):[n:4].[Cl:5]-[S:7](=[O:6])-[Cl:8]	4	26720,35566,35707,35748
+[c:1]-[C:2](=[O:3])-[C:4](-[F:5])(-[F:6])-[F:7]>>[c:1]-[C:2](-[O:3])-[C:4](-[F:5])(-[F:6])-[F:7]	4	26757,37633,37635,37830
+[C:1](-[C:2]-[O:8]-[S:5](-[C:4])(=[O:6])=[O:7])=[C:3]>>[C:1](-[C:2]-[O:8])=[C:3].[C:4]-[S:5](=[O:6])(=[O:7])-[Cl:9]	4	26770,39105,39113,39733
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[s:6]:1):[c:7]):[c:8]>>[c:1]-[C:2](-[N:3]-[c:4](:[c:5]:[c:7]):[c:8])=[S:6]	4	26851,50735,51970,53777
+[c:1]:[c:2](-[C:3]=[O:4]):[o:5]>>[c:1]:[c:2](-[C:3]-[O:4]):[o:5]	4	26852,50219,55803,57368
+[n:1]:[c:2](-[C:3]-[N:4](-[C:7]=[O:6])-[C:8]=[O:9]):[c:5]>>[n:1]:[c:2](-[C:3]-[O:10]):[c:5].[N:4](-[C:7]=[O:6])-[C:8]=[O:9]	4	26861,39116,46996,48948
+[C:1]-[C:2](-[C:3])-[n:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:1>>[C:1]-[C:2](-[C:3])-[I:9].[n:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:1	4	26906,26924,26930,26942
+[C:1]-[n:2]:1:[n:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:1]-[N:2]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7].[N:3](=[O:9])-[O:10]	4	27127,33389,39671,47204
+[c:1]:[c:2](-[C:3]-[O:5]):[o:4]>>[c:1]:[c:2](-[C:3](-[O:5])=[O:6]):[o:4]	4	27291,44198,57360,57365
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:3]-[C:4](-[c:5])=[N:6]-[O:9].[c:1]-[C:2](-[O:7])=[O:8]	4	27322,38719,51818,53564
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[n:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:2:[c:11]):[n:12]:1>>[n:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:1:[c:11].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:12]:1)-[Cl:13]	4	27551,36873,36875,51617
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Br:10].[c:3]:1(:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1)-[B:12](-[O:11])-[O:13]	4	27586,44670,46787,46788
+[c:1]-[C:2]-[c:3]:[c:5]:[n:4]>>[c:1]-[C:2](-[c:3]:[c:5]:[n:4])-[O:6]	4	27747,28642,57073,57074
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]:[n:6]>>[c:1]:[c:2](:[c:5]:[n:6])-[I:7].[C:3]#[N:4]	4	27776,31148,41014,41015
+[c:1]:1:[c:2]:[s:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[s:3]:[c:4](:[n:5]:1)-[N:6]	4	27797,30007,30288,55699
+[c:1]-1:[c:2]-[B:3](-[O:4])-[O:5]-[C:6]-1>>[c:1](:[c:2]-[B:3]-1-[O:4]-[C:11](-[C:8](-[C:7])(-[C:9])-[O:10]-1)(-[C:12])-[C:13])-[C:6]=[O:5]	4	28333,28944,29043,29044
+[C:1]=[C:2](-[c:3](:[c:4]):[c:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[c:3](:[c:4])(:[c:5])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[C:1]=[C:2](-[C:6](-[F:7])(-[F:8])-[F:9])-[Br:10]	4	28353,28998,28999,29035
+[c:1]:[c:2]:[n:3]:1:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[n:9]:[c:10]:1:[c:11]>>[c:5](:[c:6])(:[c:7])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21].[c:1]:[c:2]:[n:3]:1:[c:4](:[c:8]:[n:9]:[c:10]:1:[c:11])-[Br:12]	4	28445,28474,29102,29109
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[n:9]:2):[c:10]:[n:11]:1>>[n:1]:1:[c:2]:[c:3](:[c:10]:[n:11]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[n:9]:1)-[Cl:21]	4	28517,28531,28987,29267
+[C:1]-[N:2](-[C:3])-[C:4]>>[N:2](-[C:3])-[C:4].[C:1](=[O:5])-[O:6]	4	28883,46907,46913,46916
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2].[O:3](-[O:6]-[C:5](=[O:4])-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)-[C:7](=[O:8])-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2	4	28900,29300,29456,49170
+[c:1]:[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:[c:7]:1:[c:8])-[O:9]>>[c:1]:[c:2]:[c:7](-[N:6]-[C:5]=[C:4]-1-[C:3](=[O:9])-[O:13]-[C:15](-[O:10]-[C:11]-1=[O:12])(-[C:14])-[C:16]):[c:8]	4	29304,29306,29308,44503
+[C:1]-[C:2]-[C:3](-[O:4]-[C:5])=[O:6]>>[O:4]-[C:5].[C:1]-[C:2]-1-[C:3](=[O:6])-[O:13]-[C:8](-[C:7])(-[C:9])-[O:10]-[C:11]-1=[O:12]	4	29309,30397,30477,30487
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2](=[O:3])-[C:5].[O:4]	4	29447,42902,42903,42932
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:9]:[c:6](:[n:5]:1)-[O:7]-[c:8]>>[c:1]:[c:4]:1:[c:3](:[c:2]):[n:9]:[c:6](:[n:5]:1)-[Cl:10].[O:7]-[c:8]	4	29735,29736,33970,36016
+[C:1]-[C:2](-[C:3]-[C:4]=[O:5])=[O:6]>>[C:1]-[C:2](=[O:6])-[O:9]-[C:8]-[C:7].[C:3]-[C:4]=[O:5]	4	29770,30530,30531,35875
+[C:1]-[n:2]:1:[n:3]:[c:4](-[C:5](=[O:9])-[O:10]):[c:6]:[c:7]:1-[C:8]>>[C:1]-[N:2]-[N:3].[C:4](-[C:5](=[O:9])-[O:10])(-[C:6]-[C:7](-[C:8])=[O:12])=[O:11]	4	29906,36010,42325,42333
+[n:1]:[c:2]:[c:3]:[c:4]>>[n:1]:[c:2]:[c:3](:[c:4])-[C:6]#[N:5]	4	29936,34269,41352,51130
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])=[C:7]-[c:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[C:5]#[N:6].[C:7](-[c:8])=[O:9]	4	30227,34049,34050,41273
+[C:1](=[O:2])(-[N:3]-[c:4](:[n:5]):[c:7]:[n:6])-[O:8]>>[N:3]-[c:4](:[n:5]):[c:7]:[n:6].[C:1](=[O:2])(-[O:8])-[Cl:9]	4	30773,30800,51854,56954
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+[c:1]:[c:3](:[n:2]):[c:4]:[c:5]>>[c:1]:[c:3](:[n:2]):[c:4](:[c:5])-[Cl:6]	4	31246,51550,52971,55877
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+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1-[Cl:6]>>[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1.[Cl:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	4	31328,35985,44336,44387
+[C:1]-[S:2]-[c:3]>>[C:1]-[I:4].[S:2]-[c:3]	4	31419,31666,31700,31710
+[C:1]-[n:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:1:[n:7]>>[C:1]-[I:8].[n:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:1:[n:7]	4	31467,31568,31582,31615
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:9].[N:7]-[c:8]	4	31903,42678,46046,49631
+[N:1]#[C:2]-[c:3]:1:[c:4]:[c:5](-[c:6]):[c:7](-[c:8]):[n:9]:[c:10]:1-[O:11]>>[C:4](=[C:5](-[c:6])-[C:7](-[c:8])=[O:15])-[N:13](-[C:12])-[C:14].[N:1]#[C:2]-[C:3]-[C:10](-[N:9])=[O:11]	4	31990,41274,41275,41276
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+[n:1]:1:[c:2]:[c:3]:[c:4]:2:[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:2>>[N+:1](-[c:5]:1:[c:4](-[C:3]=[C:2]-[N:11](-[C:10])-[C:12]):[c:9]:[c:8]:[n:7]:[c:6]:1)(=[O:13])-[O-:14]	4	32020,32021,32023,32024
+[C:1](=[O:2])-[c:3]:1:[c:4](:[c:5]):[n:6]:[n:7]:[c:8]:1>>[C:1](=[O:2])-[N:10](-[C:9])-[C:11].[c:3]:1:[c:4](:[c:5]):[n:6]:[n:7]:[c:8]:1	4	32076,32102,32209,32219
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:4]	4	32356,41594,46249,53342
+[n:1]:[c:2]:[c:3]-[C:4]-1=[C:5](-[c:6]:[c:7]:[n:8])-[C:9](=[O:10])-[N:11]-[C:12]-1=[O:13]>>[C:5](-[c:6]:[c:7]:[n:8])-[C:9](=[O:10])-[N:11].[n:1]:[c:2]:[c:3]-[C:4](-[C:12](=[O:13])-[O:15]-[C:14])=[O:16]	4	32448,43913,43936,43937
+[C:1]=[C:2]-[C:3]-[O:4]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:6]-[C:5]	4	32460,40333,50798,51517
+[c:1]:[c:2](-[C:3](=[C:4]-[N:5])-[c:6]):[c:7]>>[C:3](=[C:4]-[N:5])(-[c:6])-[Br:8].[c:1]:[c:2](:[c:7])-[B:10](-[O:9])-[O:11]	4	32543,33422,39372,39384
+[C:1]-[O:2]-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]>>[C:1]-[O:2].[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:8]	4	32794,36968,36971,37901
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5]-1):[n:6]:[c:7]:[c:8]>>[c:1]:[c:2](:[n:6]:[c:7]:[c:8])-[Br:9].[C:3]-1(-[C:4]-[C:5]-1)-[B:11](-[O:10])-[O:12]	4	33236,39998,46362,46384
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+[c:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[c:1]:[c:2]:[c:5].[C:3](=[O:4])-[N:7](-[C:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	4	33320,48794,49077,52855
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+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]:2:[c:7]:[o:8]:[n:9]:[c:10]:2):[o:11]:1>>[c:1]-[C:2](=[O:12])-[O:13].[N:3]-[N:4]-[C:5](-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1)=[O:11]	4	33379,33420,50203,53787
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+[C:1]#[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]#[C:2]-[Si:7](-[C:6])(-[C:8])-[C:9].[c:3](:[c:4])(:[c:5])-[I:10]	4	33694,33794,33829,33837
+[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[c:6]>>[n:1]:[c:3](:[c:2])-[C:4](-[O:5])-[c:6]	4	33959,38848,56067,57164
+[C:1](=[O:2])(-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[O:8]>>[C:1](=[O:2])-[c:3](:[c:4]:[n:5]):[c:7]:[n:6].[O:8]-[S:10](-[N:9])(=[O:11])=[O:12]	4	33987,34008,34043,34044
+[n:1]:[c:2](-[C:3]=[O:5]):[c:4]>>[n:1]:[c:2](-[C:3](=[O:5])-[N:8](-[O:7]-[C:6])-[C:9]):[c:4]	4	33995,40165,50646,55689
+[c:1](:[c:2](-[C:3](-[N:4])=[O:7]):[n:5]):[n:6]>>[c:1](:[c:2](-[C:3](=[O:7])-[O:9]-[C:8]):[n:5]):[n:6].[N:4]	4	34286,40732,40808,40991
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5]-[c:6]):[o:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[o:7]:1.[C:5](-[c:6])-[Br:8]	4	34293,34294,34295,54752
+[c:1]:[n:9]:[c:4](:[n:3]:[c:2])-[c:5](:[c:6]):[c:8]:[n:7]>>[c:1]:[n:9]:[c:4](:[n:3]:[c:2])-[Cl:10].[c:5](:[c:6])(:[c:8]:[n:7])-[B:12](-[O:11])-[O:13]	4	34655,34656,34657,46482
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:[c:9]:1):[c:10]>>[c:3]:1(:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:[c:9]:1)-[Cl:11].[c:1]:[c:2](:[c:10])-[B:13](-[O:12])-[O:14]	4	34714,34715,39919,53890
+[C:1]=[N:2]-[O:3]-[C:4]-[c:5]>>[C:1]=[N:2]-[O:3].[C:4](-[c:5])-[Br:6]	4	34934,39442,39444,39446
+[C:1]-[c:2]:1:[c:3]:[o:4]:[c:5](-[C:6]=[C:7]):[n:8]:1>>[O:4]=[C:5](-[C:6]=[C:7])-[N:8].[C:1]-[C:2](-[C:3]-[Cl:10])=[O:9]	4	35033,35035,35036,35040
+[n:1]:[c:2](-[C:3]-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1):[c:9]:[n:10]>>[n:1]:[c:2](-[C:3]-[Cl:11]):[c:9]:[n:10].[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1	4	35138,35139,43306,48193
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1):[o:7])-[Cl:8]>>[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1):[o:7])-[O:13]	4	35417,35418,35435,35468
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+[C:1](=[O:2])-[O:6]-[C:5](=[N:4]-[c:3])-[c:7](:[c:8]):[n:9]>>[C:1](=[O:2])-[O:6].[c:3]-[N:4].[C:5](-[c:7](:[c:8]):[n:9])(=[O:10])-[O:11]	4	35991,39958,42425,42508
+[c:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6](-[C:7](-[O:8])=[O:10]):[s:9]:1>>[c:1]-[C:2](-[N:3])=[S:9].[C:4](-[C:5])(-[C:6](-[C:7](-[O:8])=[O:10])-[Cl:12])=[O:11]	4	36129,39404,41990,43359
+[c:1]:[c:2](-[C:3]-1=[C:4]-[N:5]-[C:6]-[C:7]=[C:8]-1):[c:9]>>[C:3]-1(=[C:4]-[N:5]-[C:6]-[C:7]=[C:8]-1)-[Br:11].[c:1]:[c:2](:[c:9])-[B:13](-[O:10])-[O:12]	4	36134,38066,41574,54162
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+[n:1]:[c:2](-[S:3](-[C:4])=[O:5]):[s:6]>>[O:5]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1.[n:1]:[c:2](-[S:3]-[C:4]):[s:6]	4	36627,36676,36706,36712
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+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1>>[c:1]:1:[c:2](:[c:3]:[n:4]:[n:5]:1)-[C:9](-[O:8]-[C:7]-[C:6])=[O:10]	4	38463,38788,51887,55115
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+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7](-[c:8])(-[c:9])-[c:10]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1.[C:7](-[c:8])(-[c:9])(-[c:10])-[Cl:11]	4	40591,40592,50832,52091
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[I:9].[c:1]-[N:2]	4	40593,42693,48603,48604
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[F:7].[O:6]	4	40623,42931,42981,43011
+[c:1]-[c:2]:1:[c:3]:[n:4](-[c:5]):[n:6]:[n:7]:1>>[N:4](-[c:5])=[N+:6]=[N-:7].[c:1]-[C:2]#[C:3]	4	41232,47893,52791,53629
+[c:1]-[N:2]=[C:3]-[N:4]>>[c:1]-[N:2].[C:3](-[N:4])(-[O:6]-[C:5])-[O:7]-[C:8]	4	41347,42604,42690,43178
+[C:1](=[O:2])(-[c:3])-[N:5](-[O:4])-[C:6]>>[O:4]-[N:5]-[C:6].[C:1](=[O:2])(-[c:3])-[Cl:7]	4	41503,41522,41536,41537
+[N:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:1]=[C:2]=[O:3].[N:4]-[C:5]	4	41737,41738,41741,41745
+[c:1]-[N:2]-[C:3](-[N:4])=[O:5]>>[C:3](=[N:4])=[O:5].[c:1]-[N:2]	4	41739,41740,41742,41744
+[N-:1]=[N+:2]=[N:3]-[C:4]=[O:5]>>[N:2]-[N:3]-[C:4]=[O:5].[N:1](=[O:6])-[O:7]	4	42347,42360,45896,47245
+[C:1]-1(-[N:2]-[c:3]:[c:4]-[N:5]-1)=[O:6]>>[N:2]-[c:3]:[c:4]-[N:5].[C:1](=[O:6])(-[n:14]:1:[c:10]:[n:11]:[c:12]:[c:13]:1)-[n:15]:2:[c:9]:[n:8]:[c:7]:[c:16]:2	4	42471,42700,49534,51710
+[n:1]:[c:2]:[c:5](-[C:4]#[C:3]):[c:6]>>[n:1]:[c:2]:[c:5](:[c:6])-[I:7].[C:3]#[C:4]	4	42799,42814,48685,49041
+[c:1]:[c:2](-[C:3]=[O:4]):[n:5]>>[O:4].[c:1]:[c:2](-[C:3]):[n:5]	4	42939,42940,42948,42993
+[C:1]-[C:2](-[C:3](-[O:4])=[O:6])-[C:5]>>[C:1]-[C:2](-[C:3](-[O:4])=[O:6])(-[C:5])-[C:10](-[O:9]-[C:8]-[C:7])=[O:11]	4	43019,54179,54812,56962
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[B:3](-[O:4]-[C:9])(-[O:5]-[C:10])-[O:8]-[C:7].[c:1]:[c:2](:[c:6])-[I:11]	4	43085,43088,43101,43102
+[C:1]-[C:7]=[C:5](-[C:3](-[N:2])=[O:4])-[O:6]>>[C:1]-[C:7]=[C:5](-[C:3](-[N:2])=[O:4])-[O:6]-[C:8]	4	43229,52320,53387,55602
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[C:6]=[O:5].[O:3]-[O:7]	4	43266,44701,47257,47320
+[n:1]:[c:2](-[C:3]=[O:5]):[n:4]>>[n:1]:[c:2](-[C:3]-[O:5]):[n:4]	4	43301,49211,52136,55863
+[c:1]-[c:2]:1:[c:3]:[n:4]:[c:5]:[o:6]:1>>[c:1]-[C:2]=[O:6].[C:3](-[N+:4]#[C-:5])-[S:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[C:7]):[c:16]:[c:15]:1)(=[O:13])=[O:14]	4	44669,48468,51308,54131
+[c:1]-[C:2]-[N:3]=[N+:4]=[N-:5]>>[N-:3]=[N+:4]=[N-:5].[c:1]-[C:2]-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9]	4	45234,45235,45880,47997
+[O:1]=[S:2](=[O:3])(-[c:4](:[c:5]):[c:6])-[c:7]>>[O:1]=[S:2](=[O:3])(-[c:7])-[Cl:8].[c:4](:[c:5]):[c:6]	4	45472,46044,50546,52256
+[O:1]=[C:2](-[C:3]=[C:4])-[N:5]-[O:6]>>[O:1]=[C:2](-[C:3]=[C:4])-[Cl:7].[N:5]-[O:6]	4	45673,45691,46145,47086
+[c:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[c:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:7](:[c:6])-[N:8]	4	46079,51919,55418,55443
+[c:1]-[C:2]-1-[C:3]-[C:4]-[C:5]-[N:6]-[C:8]-1=[N:7]>>[c:1]-[C:2]-1=[C:3]-[C:4]=[C:5]-[N:6]-[C:8]-1=[N:7]	4	46290,54071,54072,54073
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[c:9]:1>>[c:5](:[c:6])(:[c:7])-[B:12](-[O:11])-[O:13].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:8]:[c:9]:1)-[Br:10]	4	46421,46536,51907,53405
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[B:6](-[O:5])-[O:7].[O:3]-[O:8]	4	46441,46553,46561,46601
+[c:1]:1:[n+:2]:[c:3]:[c:4]:[c:5](:[c:6]:1)-[N+:8](=[O:7])-[O-:9]>>[O:7]=[N+:8](-[O-:9])-[O:10].[c:1]:1:[n+:2]:[c:3]:[c:4]:[c:5]:[c:6]:1	4	47593,47598,47615,47654
+[N:1](-[C:2]-[c:3](:[n:4]):[c:5])=[N+:7]=[N-:6]>>[N-:1]=[N+:7]=[N-:6].[C:2](-[c:3](:[n:4]):[c:5])-[Br:8]	4	47912,47915,47920,48030
+[c:1]:[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[c:1]:[c:2](:[n+:3](:[c:4]:[c:5])-[O-:7]):[c:6]	4	48117,49234,50744,56272
+[C:1](-[C:2](-[N:3])=[O:7])-[C:4](-[C:5])=[O:6]>>[C:1](-[C:2](-[N:3])=[O:7])-[C:4](-[C:5])-[O:6]	4	48524,52270,55184,56236
+[c:1]:[c:2](-[C:3]-[c:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[I:6].[C:3](-[c:4])-[Zn+:7]	4	50895,51054,52781,54440
+[c:1]-[C:2]-[C:3]-[C:4]=[O:5]>>[c:1]-[C:2]=[C:3]-[C:4]=[O:5]	4	51927,53442,54096,55034
+[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:2:[c:7]:1:[c:8]:[c:10](:[c:9]):[n:11]:2>>[O:1]=[C:2]-1-[C:3]-[C:4]-[C:5]-[c:6]:2:[c:7]-1:[c:8]:[c:10](:[c:9]):[n:11]:2	4	52808,52809,52813,54608
+[n:1]:[c:2]:[c:3](-[C:4]-[O:5]-[c:6]):[n:7]>>[O:5]-[c:6].[n:1]:[c:2]:[c:3](-[C:4]-[Cl:8]):[n:7]	4	52932,55041,56104,57085
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[C:5](-[c:6])(=[O:8])-[Cl:9].[c:1]-[C:2](=[N:3]-[O:4])-[N:7]	4	53529,53567,55508,56801
+[C:1](=[O:2])-[N:3]-[N:4]=[C:5](-[C:6](=[O:7])-[N:8])-[c:9]>>[C:1](=[O:2])-[N:3]-[N:4].[C:5](-[C:6](=[O:7])-[N:8])(-[c:9])=[O:10]	4	53620,53764,53765,53779
+[C:1](=[O:2])-[C:3](-[O:4])=[C:5]-[O:6]>>[C:1](=[O:2])-[C:3](-[O:4]-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1)=[C:5]-[O:6]	4	55239,55432,56572,57003
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]-[Br:7]>>[Br:7].[O:4]-[C:5]-[C:6]-[O:9].[C:1]-[C:2](=[O:3])-[O:8]	3	12,17,72
+[C:1]-[C:2]-[Br:3]>>[Br:3].[C:1]-[C:2]-[O:8]-[S:5](-[C:4])(=[O:6])=[O:7]	3	19,78,113
+[C:1](-[C:2](-[c:3])-[Br:5])=[O:4]>>[Br:5].[C:1](-[C:2]-[c:3])=[O:4]	3	21,93,106
+[c:1](:[n:2]:[c:3]:[c:4])(:[c:5])-[Br:6]>>[Br:6].[c:1](:[n:2]:[c:3]:[c:4])(:[c:5])-[N:7]	3	67,68,98
+[c:1]:1(:[n:2]:[c:3](-[c:4]):[c:5]:[s:6]:1)-[Br:7]>>[Br:7].[C:1](#[N:2])-[S:6]-[C:5]-[C:3](-[c:4])=[O:8]	3	79,91,105
+[c:1]-[C:2](-[c:3])-[Br:4]>>[Br:4].[c:1]-[C:2](-[c:3])-[O:5]	3	87,90,92
+[N:1]-[C:2]=[C:3](-[c:4])-[Br:5]>>[Br:5]-[Br:6].[N:1]-[C:2]=[C:3]-[c:4]	3	145,223,224
+[C:1]-[C:2](=[O:3])-[C:4](-[Br:5])-[O:6]>>[Br:5]-[Br:7].[C:1]-[C:2](=[O:3])-[C:4]-[O:6]	3	190,192,425
+[c:1](:[n:2]:[c:3](:[c:4])-[Br:6]):[c:5]>>[Br:6]-[Br:7].[c:1](:[n:2]:[c:3](:[c:4])-[N:8]):[c:5]	3	220,285,309
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[Br:4].[c:1]-[C:2]	3	226,336,427
+[c:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:4](=[O:5])(-[C:6])-[Br:7].[c:1]-[N:2]-[C:3]	3	605,618,619
+[c:1]:1:[c:2]:[n:3](-[C:4]-[C:5](=[O:6])-[O:7]):[c:8]:[c:9]:1>>[C:4](-[C:5](=[O:6])-[O:7])-[Br:10].[c:1]:1:[c:2]:[n:3]:[c:8]:[c:9]:1	3	676,18111,28821
+[O:1]=[C:2](-[C:3]-[N:4](-[C:5])-[c:6])-[O:7]>>[O:1]=[C:2](-[C:3]-[Br:8])-[O:7].[N:4](-[C:5])-[c:6]	3	689,18497,30714
+[c:1]-[O:2]-[C:6]-[C:3](-[C:4])=[C:5]>>[C:3](-[C:4])(=[C:5])-[C:6]-[Br:7].[c:1]-[O:2]	3	715,717,719
+[c:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-1>>[C:3](-[C:4]-[C:5]-[C:6]-[Br:8])-[Br:7].[c:1]-[N:2]	3	829,836,841
+[C:1]-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]>>[C:3](-[C:4])-[Br:7].[C:5]-[C:6]-[Br:8].[C:1]-[N:2]	3	885,897,2090
+[c:1]-[C:2](-[C:3]#[N:4])(-[C:5]-[C:6])-[C:8]-[C:7]>>[C:5](-[C:6])-[Br:9].[C:7]-[C:8]-[Br:10].[c:1]-[C:2]-[C:3]#[N:4]	3	886,896,2087
+[N:1](-[C:2]-[c:3]:[c:4]:[n:5])=[N+:7]=[N-:6]>>[C:2](-[c:3]:[c:4]:[n:5])-[Br:8].[N-:1]=[N+:7]=[N-:6]	3	907,40596,47931
+[Br:1]-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:[c:7]:1>>[Br:1]-[P:9](=[O:8])(-[Br:10])-[Br:11].[c:2]:1(:[c:3]:[n:4]:[n:5]:[c:6]:[c:7]:1)-[O:12]	3	918,920,921
+[C:1]-[C:2](=[C:3]-[C:4]-[Br:6])-[C:5]>>[Br:6]-[P:8](-[Br:7])-[Br:9].[C:1]-[C:2](=[C:3]-[C:4]-[O:10])-[C:5]	3	932,943,945
+[c:1]:[c:2](-[C:3]-[Br:4]):[n:5]>>[Br:4]-[P:7](-[Br:6])-[Br:8].[c:1]:[c:2](-[C:3]-[O:9]):[n:5]	3	978,980,1022
+[c:1]-[C:2](-[C:3])-[Br:4]>>[Br:4]-[P:6](-[Br:5])-[Br:7].[c:1]-[C:2](-[C:3])-[O:8]	3	989,1001,1002
+[n:1]:[c:2](-[C:3](=[O:4])-[c:5](:[c:6]):[c:7]):[n:8]>>[c:5](:[c:6])(:[c:7])-[Mg:10]-[Br:9].[n:1]:[c:2](-[C:3](=[O:4])-[O:13]-[C:12]-[C:11]):[n:8]	3	1028,50249,55490
+[c:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1>>[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1.[c:1]-[C:2]-[Cl:8]	3	1038,51119,52286
+[c:1]-[N:2](-[C:3](=[O:4])-[C:5])-[c:8](:[c:6]):[c:7]>>[c:1]-[N:2]-[C:3](=[O:4])-[C:5].[c:6]:[c:8](:[c:7])-[Br:9]	3	1082,50335,51333
+[c:1]:[c:2]:[n:3]:[c:4](-[c:5]:1:[c:6]:[n:7]:[c:8]:[s:9]:1):[c:10]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:10])-[Br:11].[c:5]:1:[c:6]:[n:7]:[c:8]:[s:9]:1	3	1088,9232,39089
+[c:1]:[c:2]:1-[C:3](=[O:4])-[N:5](-[c:6](:[c:7]):[c:8])-[C:9]=[C:10]-[c:11]:1:[c:12]>>[c:6](:[c:7])(:[c:8])-[Br:13].[c:1]:[c:2]:1:[c:3](-[O:4]):[n:5]:[c:9]:[c:10]:[c:11]:1:[c:12]	3	1107,49412,51029
+[O:1]=[C:2]-[N:4](-[C:3])-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]>>[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Br:10].[O:1]=[C:2]-[N:4]-[C:3]	3	1130,28865,49625
+[c:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[c:3](:[c:4])(:[c:5])-[I:7].[c:1]-[N:2]-[C:6]	3	1136,46122,54830
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]):[c:8]):[c:9]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[Br:10].[c:6](:[c:7])(:[c:8])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	3	1171,1176,29033
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:9]-[C:8].[c:1]-[N:2]	3	1186,17888,37396
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[n:7]:1):[s:8]>>[c:1]:[c:2](-[C:3](-[N:7])=[O:14]):[s:8].[N:4]-[N:5].[C:6](-[O:9]-[C:10])(-[N:11](-[C:12])-[C:13])-[O:16]-[C:15]	3	1189,42146,42149
+[C:1]-[N:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[s:7]:1)-[C:8]>>[c:3]:1(:[n:4]:[n:5]:[c:6]:[s:7]:1)-[Br:9].[C:1]-[N:2]-[C:8]	3	1234,1532,28685
+[C:1]#[C:2]-[C:3](-[O:4])(-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[C:6].[C:1]#[C:2]	3	1259,1261,2878
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:7]:[n:6]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7]:[n:6])-[I:8]	3	1262,1411,8911
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6](-[C:7]):[n:8]:[n:9]:1>>[N:6](-[C:7])=[N+:8]=[N-:9].[O:1]-[C:2](=[O:3])-[C:4]#[C:5]	3	1270,1285,21491
+[c:1]:[c:2]:1:[c:3](:[c:4]:[n:5]:[n:6]:1:[c:7]:[c:8])-[C:10](-[O:9])=[O:11]>>[c:1]:[c:2]:[n+:6](-[N:5]):[c:7]:[c:8].[C:3](#[C:4])-[C:10](-[O:9])=[O:11]	3	1271,1274,1282
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[C:8]#[C:7])=[O:9]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[C:8]#[C:7])-[O:9]	3	1287,55110,55690
+[C:1]#[C:2]-[C:3]-[C:4](-[C:5])(-[C:6])-[O:7]>>[C:4](-[C:5])(-[C:6])=[O:7].[C:1]#[C:2]-[C:3]-[Br:8]	3	1308,1309,1314
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]:[c:6]:[s:8]):[c:7]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5]:[c:6]:[s:8])(:[c:7])-[O:12]-[S:10](=[O:9])(=[O:11])-[C:13](-[F:14])(-[F:15])-[F:16]	3	1349,1350,1361
+[C:1]-[c:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[C:1]-[C:2]#[C:3].[C:4](-[c:5])(=[N:6]-[O:7])-[Cl:8]	3	1393,48920,49805
+[C:1]-[C:2]#[C:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[C:1]-[C:2]#[C:3].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:9]	3	1417,6654,20434
+[C:1]#[C:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1>>[C:1]#[C:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[n:7]:1)-[I:8]	3	1431,34090,39390
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5](-[C:6]#[C:7]):[n:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5](:[n:8]:1)-[Br:9].[C:6]#[C:7]	3	1436,27022,51253
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]#[C:6]):[c:7]>>[C:5]#[C:6].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[Cl:8]	3	1438,28774,36020
+[C:1]-[n:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[n:7]:1>>[C:3]#[C:4]-[c:5].[C:1]-[N:2]=[N+:7]=[N-:6]	3	1449,3951,48726
+[c:1]:[c:2](-[C:3]#[C:4]):[n:5]:[n:6]>>[C:3]#[C:4].[c:1]:[c:2](:[n:5]:[n:6])-[I:7]	3	1450,12872,13003
+[C:1]-[C:2]#[C:3]-[C:4]-[C:5]>>[C:1]-[C:2]#[C:3].[C:4](-[C:5])-[Br:6]	3	1454,4118,16269
+[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[N:6]-[c:7]>>[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[O:8].[N:6]-[c:7]	3	1465,13218,14073
+[c:1]-[c:2]:1:[n:3]:[n:4](-[C:5]):[c:6](-[N:7]):[c:8]:1-[C:9]#[N:10]>>[c:1]-[C:2](=[C:8](-[C:6]#[N:7])-[C:9]#[N:10])-[O:12]-[C:11].[N:3]-[N:4]-[C:5]	3	1477,52496,55356
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[C:2]#[N:6].[N:3](=[N+:4]=[N-:5])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:7]-[C:8]	3	1509,3995,3999
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[c:6](:[c:7]):[c:8]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:5].[c:6](:[c:7])(:[c:8])-[O:9]	3	1592,29844,44169
+[C:1](-[C:2]-[C:3])=[O:4]>>[C:1](=[C:2]-[C:3])-[O:4]-[C:5]	3	1599,9295,25863
+[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7]>>[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[Cl:8].[O:6]-[C:7]	3	1604,1605,1606
+[C:1]-[C:2]-[c:3](:[c:4]):[o:5]>>[C:1]-[C:2](-[c:3](:[c:4]):[o:5])=[O:6]	3	1630,51142,57355
+[c:1]:[c:2](-[N+:3](=[O:7])-[O-:8]):[c:4]:[c:5]:[o:6]>>[c:1]:[c:2]:[c:4]:[c:5]:[o:6].[N+:3](-[O:7])(-[O-:8])=[O:9]	3	1631,47707,47722
+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1:[c:6]>>[c:1]:1:[c:2]:[n:3]:[n:4](:[c:5]:1:[c:6])-[C:8](-[C:7])=[O:9]	3	1634,1635,49473
+[C:1]=[C:2]-[C:3](-[C:4](-[F:5])(-[F:6])-[C:7](-[F:8])(-[F:9])-[F:10])=[O:11]>>[C:1]=[C:2]-[C:3](=[O:11])-[N:14](-[O:13]-[C:12])-[C:15].[C:4](-[F:5])(-[F:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[I:16]	3	1729,37460,37461
+[O:1]=[C:2]-1-[C:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8](=[O:9])-[N:10]-1-[c:11]>>[O:1]=[C:2](-[C:3]-[C:4](=[O:5])-[O:13])-[O:12].[N:6](-[C:7])-[C:8](=[O:9])-[N:10]-[c:11]	3	1751,1753,1772
+[C:1](=[O:2])(-[c:3]:1:[c:4](-[C:5]):[o:6]:[n:7]:[c:8]:1-[c:9])-[O:10]>>[C:1](=[O:2])(-[C:3]#[C:4]-[C:5])-[O:10].[O:6]-[N:7]=[C:8](-[c:9])-[Cl:11]	3	1783,30544,30545
+[c:1]:[c:2](-[C:3]-[C:4](=[O:6])-[O:7]):[n:5]>>[c:1]:[c:2](-[C:3](-[C:4](=[O:6])-[O:7])-[C:11](-[O:10]-[C:9]-[C:8])=[O:12]):[n:5]	3	1870,3159,44245
+[c:1]-[C:2]=[C:3]-[C:4]#[N:5]>>[c:1]-[C:2]=[O:14].[C:3](-[C:4]#[N:5])-[P:9](-[O:8]-[C:7]-[C:6])(=[O:10])-[O:11]-[C:12]-[C:13]	3	1888,36167,43432
+[c:1]:[c:2]:1:[n:3]:[n:4](-[C:5]):[c:6]:[c:7]:1>>[c:1]:[c:2]:1:[n:3]:[n:4]:[c:6]:[c:7]:1.[C:5]-[O+:9](-[C:8])-[C:10]	3	1901,33642,33643
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:10].[N:6]-[c:7](:[n:8]):[c:9]	3	1903,37928,49691
+[c:1](-[C:2](=[O:3])-[Cl:6]):[c:4]:[n:5]>>[Cl:6]-[C:10](-[C:8](=[O:7])-[Cl:9])=[O:11].[c:1](-[C:2](=[O:3])-[O:12]):[c:4]:[n:5]	3	1918,2650,2667
+[n:1]:[c:2](-[N:3]-1-[N:4]=[C:5]-[C:6](-[c:7])-[C:8]-1=[O:9]):[c:10]>>[n:1]:[c:2](-[N:3]-[N:4]):[c:10].[C:5](=[C:6](-[c:7])-[C:8](=[O:9])-[O:13]-[C:12]-[C:11])-[N:14](-[C:15])-[C:16]	3	1944,1945,31985
+[C:1]-1-[C:2](=[O:3])-[N:4](-[C:5])-[C:6](=[O:7])-[N:8]-1-[C:9]>>[N:4](-[C:5])=[C:6]=[O:7].[C:1](-[C:2](=[O:3])-[O:11]-[C:10])-[N:8]-[C:9]	3	1982,1983,1997
+[N:1](-[C:2])-[C:7](-[N:3]-[c:4]:[c:6]:[n:5])=[O:8]>>[N:1](-[C:2])=[C:7]=[O:8].[N:3]-[c:4]:[c:6]:[n:5]	3	2006,2008,27071
+[N:1]-1-[C:2](=[O:3])-[N:4](-[c:5])-[C:6](=[O:7])-[C:8]=[C:9]-1-[C:10]>>[C:2](=[O:3])=[N:4]-[c:5].[N:1]-[C:9](=[C:8]-[C:6](=[O:7])-[O:11]-[C:13]-[C:12])-[C:10]	3	2015,26096,37183
+[C:1]-[C:2]-[N:3]-[c:4](:[n:5]):[c:6]>>[N:3]-[c:4](:[n:5]):[c:6].[C:1]-[C:2]=[O:7]	3	2027,2042,2526
+[N:1]-[c:2]:1:[n:3]:[c:4](-[C:5](=[O:6])-[O:7]):[c:8]:[s:9]:1>>[C:4](-[C:5](=[O:6])-[O:7])(-[C:8]-[Br:11])=[O:10].[N:1]-[C:2](-[N:3])=[S:9]	3	2069,44254,44261
+[C:1]-[N:2](-[C:3]-[C:4]=[C:5]-[C:6](=[O:7])-[N:8]-[c:9])-[C:10]>>[C:3](-[C:4]=[C:5]-[C:6](=[O:7])-[Cl:11])-[Br:12].[C:1]-[N:2]-[C:10].[N:8]-[c:9]	3	2076,2077,2078
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:7]:[n:6]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7]:[n:6])-[Br:8]	3	2180,17138,20066
+[c:1]-[N:2]-1-[C:3](=[O:4])-[C:5](=[C:6](-[C:7])-[C:9]-1=[O:10])-[C:8]>>[C:3]-1(=[O:4])-[C:5](=[C:6](-[C:7])-[C:9](=[O:10])-[O:11]-1)-[C:8].[c:1]-[N:2]	3	2183,11805,11989
+[C:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[c:6](:[c:7]:[n:8]):[n:9]):[n:10]:1>>[C:1]-[C:2](-[C:3]-[Cl:12])=[O:11].[S:4]=[C:5](-[c:6](:[c:7]:[n:8]):[n:9])-[N:10]	3	2239,35044,35046
+[C:1]-[C:2](-[C:3]-[N:4](-[C:5])-[C:6])=[O:7]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](-[C:3]-[Cl:8])=[O:7]	3	2259,17309,37744
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:5](-[C:6])(=[O:8])-[Cl:9].[c:1]-[C:2](=[N:3]-[O:4])-[N:7]	3	2405,3421,43039
+[C:1]-[N:2]-1-[C:3](-[C:4]-[O:5]-[C:6]-[C:7]-1)=[O:8]>>[C:3](-[C:4]-[Cl:9])(=[O:8])-[Cl:10].[C:1]-[N:2]-[C:7]-[C:6]-[O:5]	3	2422,2431,2432
+[N:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6](:[c:7]):[c:9]:[n:8]>>[c:6](:[c:7])(:[c:9]:[n:8])-[Br:10].[N:1]-[C:2](=[O:3])-[C:4]=[C:5]	3	2765,2766,27981
+[C:1](=[O:2])-[N:3](-[C:4]-[C:5])-[C:6](=[O:7])-[N:8]>>[C:4](-[C:5])-[Cl:9].[C:1](=[O:2])-[N:3]-[C:6](=[O:7])-[N:8]	3	2779,4140,25877
+[c:1]-[n:2]:1:[c:3](-[C:4]):[c:5]:[c:6]:[c:7]:1-[c:8]>>[C:3](-[C:4])(-[C:5]-[C:6]-[C:7](-[c:8])=[O:10])=[O:9].[c:1]-[N:2]	3	2826,49052,54521
+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[C:7]-[C:8]-1>>[c:1]-[C:2](-[C:8]-[C:7]-[C:5](=[O:6])-[O:10])=[O:9].[N:3]-[N:4]	3	2837,42256,42274
+[O:1]-[C:2](-[C:3])-[c:4](:[c:5]):[s:6]>>[O:1]=[C:2](-[C:3])-[c:4](:[c:5]):[s:6]	3	2842,10188,51453
+[C:1]#[C:2]-[C:3]-[O:4]-[S:5](=[O:6])(=[O:7])-[c:8]:1:[c:9]:[c:10]:[c:11](-[C:12]):[c:13]:[c:14]:1>>[C:1]#[C:2]-[C:3]-[O:4].[S:5](=[O:6])(=[O:7])(-[c:8]:1:[c:9]:[c:10]:[c:11](-[C:12]):[c:13]:[c:14]:1)-[Cl:15]	3	2865,10575,53512
+[C:1]-[C:2]-1-[C:3]-[C:4]-[C:5](-[O:6])-[C:7]-[C:8]-1>>[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[O:6]):[c:7]:[c:8]:1	3	2870,12066,37391
+[C:1]-[C:2](-[C:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[N:4]-[c:5]:[c:7]:[n:6].[C:1]-[C:2](-[C:3])=[O:8]	3	2886,13938,26350
+[n:1]:[c:6](-[N:4](-[C:3]-[C:2])-[c:5]):[n:7]>>[n:1]:[c:6](-[N:4]-[c:5]):[n:7].[C:2]-[C:3]-[O:8]	3	2918,6397,36138
+[n:1]:[c:8](-[N:4](-[C:3]-[C:2])-[c:5]:[c:6]:[n:7]):[n:9]>>[n:1]:[c:8](-[N:4]-[c:5]:[c:6]:[n:7]):[n:9].[C:2]-[C:3]-[O:10]	3	2922,32517,34670
+[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:6])=[C:7]-[c:8])=[O:9]>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:6])=[O:9].[C:7](-[c:8])=[O:10]	3	2945,48480,48481
+[C:1]-[C:2]-[N:3](-[c:4])-[c:5]>>[C:1]-[C:2]-[Br:6].[N:3](-[c:4])-[c:5]	3	2962,4849,4853
+[c:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:6]=[O:7]>>[c:1]-[C:2]-[O:8].[N:3](-[C:4]=[O:5])-[C:6]=[O:7]	3	3029,22706,51332
+[C:1](=[O:2])-[N:3]-[N:4]=[C:5](-[C:6])-[c:7](:[n:8]):[c:9]>>[C:1](=[O:2])-[N:3]-[N:4].[C:5](-[C:6])(-[c:7](:[n:8]):[c:9])=[O:10]	3	3034,25559,39304
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[C:1]-[N:2]-[C:3].[N:6](-[C:7])-[C:8].[C:4](=[O:5])(-[O:13]-[C:10](-[Cl:9])(-[Cl:11])-[Cl:12])-[Cl:14]	3	3109,14677,32561
+[C:1](-[C:2](-[C:6](-[O:5])=[O:7])-[C:8](=[O:9])-[O:10])(-[c:3])=[O:4]>>[C:1](-[c:3])(=[O:4])-[Cl:11].[C:2](-[C:6](-[O:5])=[O:7])-[C:8](=[O:9])-[O:10]	3	3171,3184,3185
+[C:1](=[O:2])(-[C:3](-[C:4]-[c:5])-[C:8](-[O:7])=[O:9])-[O:6]>>[C:1](=[O:2])(-[C:3]-[C:8](-[O:7])=[O:9])-[O:6].[C:4](-[c:5])-[Br:10]	3	3182,3195,3197
+[O:1]=[C:2](-[C:3]-[C:4]-[c:5]:1:[c:6]:[o:7]:[n:8]:[c:9]:1)-[O:10]>>[O:1]=[C:2](-[C:3]-[C:12](-[O:11]-[C:16]-[C:15])=[O:13])-[O:10].[C:4](-[c:5]:1:[c:6]:[o:7]:[n:8]:[c:9]:1)-[Cl:14]	3	3183,3192,3201
+[c:1]-[C:2](-[C:5]-[C:3](=[O:4])-[O:7])=[O:6]>>[c:1]-[C:2](=[O:6])-[O:10]-[C:9]-[C:8].[C:3](=[O:4])(-[C:5])-[O:7]	3	3247,21559,21564
+[C:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:1]-[O:2].[C:3](-[c:4](:[n:5]):[c:6])-[O:11]-[S:8](-[C:7])(=[O:9])=[O:10]	3	3267,10911,32376
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]:[s:8]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:9]):[c:7]:[s:8].[N:5]-[C:6]	3	3278,6797,24040
+[O:1]=[C:2](-[N:3]-[C:4])-[c:5](:[n:6]):[c:7]>>[N:3]-[C:4].[O:1]-[C:2](-[c:5](:[n:6]):[c:7])=[O:8]	3	3295,21810,48511
+[c:1]:[c:2](-[C:3]=[C:4]):[n:5]:[c:6]:[c:7]>>[c:1]:[c:2](:[n:5]:[c:6]:[c:7])-[Cl:14].[C:3](=[C:4])-[B:9]-1-[O:8]-[C:16](-[C:11](-[O:10]-1)(-[C:12])-[C:13])(-[C:15])-[C:17]	3	3328,28936,28937
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:9](:[c:10]):[s:11]>>[N:8]-[c:9](:[c:10]):[s:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:19]-[C:17](-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15])=[O:18]	3	3343,21088,21090
+[C:1](=[O:2])-[C:3]=[C:4]-[N:5]>>[C:1](=[O:2])-[C:3].[C:4](-[N:5])=[O:6]	3	3347,7139,32178
+[n:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:2:[n:7]:[c:8]:[c:9]:[c:10]:[c:11]:1:2):[c:12]>>[n:1]:[c:2](-[C:3](-[c:11]:1:[c:6](:[n:7]:[c:8]:[c:9]:[c:10]:1)-[Cl:14])=[O:13]):[c:12].[N:4]-[N:5]	3	3348,42170,42231
+[c:1]:1(:[c:2]:[c:3]:[n:4]:[n:5]:[c:7]:1:[c:6])-[Cl:8]>>[c:1]:1(:[c:2]:[c:3]:[n:4]:[n:5]:[c:7]:1:[c:6])-[O:13].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	3	3367,35248,35260
+[c:1](-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[s:8]):[c:9]:[n:10]>>[c:1](-[N:2]):[c:9]:[n:10].[S:3](=[O:4])(=[O:5])(-[c:6](:[c:7]):[s:8])-[Cl:11]	3	3382,3427,38036
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:[c:6](-[c:7]):[c:8]:2-[c:9]):[c:10]:[c:11]:1>>[c:1]:1:[n:2]:[n:3]:[c:4](-[N:5]):[c:10]:[c:11]:1.[C:6](-[c:7])(-[C:8](-[c:9])-[Br:13])=[O:12]	3	3394,20119,20120
+[C:1]-[C:2](-[N:3]-[c:4](:[c:5]):[s:6])=[O:7]>>[N:3]-[c:4](:[c:5]):[s:6].[C:1]-[C:2](=[O:7])-[Cl:8]	3	3454,15963,43956
+[N:1]-[c:2](:[c:3]):[s:4]>>[N+:1](-[c:2](:[c:3]):[s:4])(=[O:5])-[O-:6]	3	3455,55392,55895
+[c:1]:[c:2](-[C:3]-1=[N:4]-[C:5](=[O:6])-[c:7]:[c:8]-[S:9]-1):[n:10]>>[c:1]:[c:2](-[C:3]#[N:4]):[n:10].[C:5](=[O:6])(-[c:7]:[c:8]-[S:9])-[O:11]	3	3468,21690,21691
+[n:1]:[c:2](-[C:3]=[C:4]-[C:5](=[O:6])-[O:8]):[c:7]>>[C:4](-[C:5](=[O:6])-[O:8])-[P:16](-[O:9]-[C:10]-[C:11])(-[O:15]-[C:14]-[C:13])=[O:17].[n:1]:[c:2](-[C:3]=[O:12]):[c:7]	3	3488,3505,3506
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[C:1]-[C:2]#[N:6].[O:4]-[C:5].[O:3]	3	3547,30384,32836
+[C:1]-[O:2]-[S:3](-[N:4])(=[O:5])=[O:6]>>[C:1]-[O:2].[S:3](-[N:4])(=[O:5])(=[O:6])-[Cl:7]	3	3558,10459,45445
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[Br:11].[c:6]:1(:[c:7]:[n:8]:[n:9]:[c:10]:1)-[B:12]-2-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17](-[C:18])(-[C:19])-[O:20]-2	3	3561,21822,22362
+[c:1]-[N:2](-[C:3])-[C:4]-[C:5]=[C:6]>>[C:4](-[C:5]=[C:6])-[Br:7].[c:1]-[N:2]-[C:3]	3	3604,3615,3652
+[C:1]=[C:2]-[C:3]-[N:4]-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:1]=[C:2]-[C:3]-[N:4].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:9]	3	3662,53952,56570
+[c:1]:1:[c:2]:[n:3](-[c:4]):[c:5]:[n:6]:1>>[C:5]=[O:7].[C:1](-[C:2]=[O:8])=[O:9].[N:6].[N:3]-[c:4]	3	3679,3681,3682
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:6]:[c:7]:1:[c:8]>>[C:4](-[C:5]=[O:10])=[O:9].[c:1]:[c:2](-[N:3]):[c:7](-[N:6]):[c:8]	3	3684,3685,3686
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[c:7]:2:[n:8]:[c:9](-[S:10]-[C:11]-[C:12]):[n:13]:[n:14]:1:2>>[C:11](-[C:12])-[Br:15].[C:1]-[C:2]-1=[C:3]-[C:4](-[C:5])=[N:6]-[C:7]-2=[N:8]-[C:9](=[S:10])-[N:13]-[N:14]-1-2	3	3765,12529,47437
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1-[C:6]-[C:7]>>[C:6](-[C:7])-[O:8].[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1	3	3777,4604,48930
+[N:1]-[C:2](=[O:3])-[C:4]-[c:5]:1:[c:6]:[s:7]:[c:8](-[N:9]):[n:10]:1>>[N:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6]-[Br:12])=[O:11].[S:7]=[C:8](-[N:9])-[N:10]	3	3799,39011,39012
+[N:1]-[C:6](=[C:5](-[C:3](-[N:2])=[O:4])-[N:10]-[C:8](-[C:9])=[O:11])-[N:7]>>[N:1]-[C:6](=[C:5](-[C:3](-[N:2])=[O:4])-[N:10])-[N:7].[C:8](-[C:9])(=[O:11])-[O:12]	3	3846,7103,38165
+[N:1]-[C:9](=[C:5](-[C:3](-[N:2])=[O:4])-[N+:6](=[O:7])-[O-:8])-[C:10]>>[N:1]-[C:9](=[C:5]-[C:3](-[N:2])=[O:4])-[C:10].[N+:6](=[O:7])(-[O-:8])-[O:11]	3	3859,6783,41577
+[c:1](-[O:2]-[C:3]-[C:4]):[c:5]:[n:6]>>[c:1](-[O:2]):[c:5]:[n:6].[C:3](-[C:4])-[Cl:7]	3	3937,4888,7099
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[C:2]#[N:6].[N:3](=[N+:5]=[N-:4])-[Sn:11](-[C:10]-[C:9]-[C:8]-[C:7])(-[C:12]-[C:13]-[C:14]-[C:15])-[C:16]-[C:17]-[C:18]-[C:19]	3	3991,3992,3996
+[n:1]:[c:2]:[c:3](-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1):[c:10]>>[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[n:1]:[c:2]:[c:3](:[c:10])-[Br:11]	3	4002,4003,29923
+[C:1]-[C:2](-[C:3])(-[N:4]-[C:5](-[C:6])=[O:7])-[C:8](=[O:9])-[N:10]-[C:11]>>[C:1]-[C:2](-[C:3])=[O:9].[C-:8]#[N+:10]-[C:11].[N:4].[C:5](-[C:6])(=[O:7])-[O:12]	3	4010,9833,24458
+[C:1]-[c:2]:1:[c:3](-[c:4]):[n:5]:[c:6](-[N:7]-[C:8]=[O:9]):[s:10]:1>>[C:1]-[C:2](-[C:3](-[c:4])=[O:11])-[Br:12].[N:5]-[C:6](-[N:7]-[C:8]=[O:9])=[S:10]	3	4023,12409,12410
+[c:1]-[c:2]:1:[c:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[O:4]=[C:5](-[C:6])-[N:7].[c:1]-[C:2](-[C:3]-[Br:9])=[O:8]	3	4029,44087,52514
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:5]#[N:4]	3	4031,35945,56451
+[C:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[C:1]-[C:2]-[I:9].[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	3	4043,22988,30073
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[N:6]-[C:8](=[O:7])-[O:9]-[C:10]>>[C:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[N:6]=[C:8]=[O:7])-[Cl:11].[O:9]-[C:10]	3	4046,9410,39822
+[N:1](-[C:2](-[C:3]-[C:4]-[C:5](-[O:6])=[O:9])=[O:8])-[C:7]>>[N:1]-[C:7].[C:2]-1(-[C:3]-[C:4]-[C:5](-[O:6]-1)=[O:9])=[O:8]	3	4137,8785,8797
+[c:1]-1:[c:2](:[c:3])-[C:4]-[C:5]-[C:6](=[O:7])-[N:8]-1>>[c:1](:[c:2]:[c:3])-[N:8]-[C:6](-[C:5]-[C:4]-[Cl:9])=[O:7]	3	4202,51016,51170
+[c:1]:1:[n:2]:[n:3](-[C:4]-[C:5]):[c:6]:[c:7]:1>>[C:4](-[C:5])-[Cl:8].[c:1]:1:[n:2]:[n:3]:[c:6]:[c:7]:1	3	4322,4490,34701
+[c:1]-[N:2](-[C:3]-[C:4])-[S:5]>>[C:3](-[C:4])-[Cl:6].[c:1]-[N:2]-[S:5]	3	4355,54988,54989
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]:[s:9]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:12]-[C:11]-[C:10]):[c:8]:[s:9]	3	4464,4472,46854
+[C:1]-[C:2]=[C:3]-[C:4]>>[C:1]-[C:2]#[C:3]-[C:4]	3	4485,53793,57370
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[N:4]-[C:5]-[C:6](=[O:7])-[O:8].[C:1]-[C:2](=[O:3])-[O:16]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	3	4503,8777,19878
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[c:6]:[s:7]):[n:8]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[c:6]:[s:7]):[n:8])-[Cl:9]	3	4523,4525,19729
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]):[n:7]:[c:8]:[c:9]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5](:[c:6]):[n:7]:[c:8]:[c:9]:1)-[Cl:10]	3	4593,18617,30244
+[c:1](:[c:2](-[O:3]-[C:4]-[C:5]):[c:6]:[n:7]):[n:8]>>[C:4](-[C:5])-[Br:9].[c:1](:[c:2](-[O:3]):[c:6]:[n:7]):[n:8]	3	4658,19035,21661
+[C:1]-[C:2]=[C:3]-[Sn:4](-[C:5])(-[C:6])-[C:7]>>[Sn:4](-[C:5])(-[C:6])-[C:7].[C:1]-[C:2]#[C:3]	3	4696,4697,4698
+[c:1]:1(:[c:2]:[c:3]:[c:4]:[s:5]:1)-[Sn:7](-[C:6])(-[C:8])-[C:9]>>[c:1]:1:[c:2]:[c:3]:[c:4]:[s:5]:1.[C:6]-[Sn:7](-[C:8])(-[C:9])-[Cl:10]	3	4701,4704,4714
+[c:1]-[C:2](-[C:3])(-[C:4])-[C:5]#[N:6]>>[c:1]-[C:2]-[C:5]#[N:6].[C:3]-[I:11].[C:4]-[N:8](-[C:7])-[C:9]=[O:10]	3	4731,6329,31349
+[N:1]-[C:2](-[N:3]-[N:4])=[O:5]>>[N:1]-[C:2](=[O:5])-[Cl:6].[N:3]-[N:4]	3	4769,6916,43525
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[c:7]):[n:8]:1>>[C:6](-[c:7])(=[O:9])-[Cl:10].[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[N:8]	3	4772,25539,36319
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]-[C:6](=[O:7])-[N:8]>>[C:4](-[C:5]-[C:6](=[O:7])-[N:8])-[Cl:9].[C:1]-[N:2]-[C:3]	3	4821,32659,32661
+[C:1]-[C:2](-[C:3])(-[C:4]#[N:5])-[C:6]-[C:7]>>[C:6](-[C:7])-[Br:8].[C:1]-[C:2](-[C:3])-[C:4]#[N:5]	3	4835,7588,8971
+[c:1]-[S:2](=[O:3])(=[O:4])-[C:5]-[C:6]>>[C:5](-[C:6])-[I:8].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	3	4878,30059,30061
+[c:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[I:6].[c:1]-[N:2]-[C:5]	3	4883,5287,30048
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](-[O:4])(-[C:5])=[O:6].[C:1]-[N:2]	3	4916,6311,50264
+[N:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[N:1]#[C:2]-[C:3]-[C:4](-[C:5])=[O:8].[N:6]-[O:7]	3	4922,8916,47080
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]=[C:7]>>[N:4]-[C:5]-[C:6]=[C:7].[c:1]-[C:2](=[O:3])-[O:8]	3	4953,9406,53093
+[c:1](:[c:2]):[n:9]:[c:4](:[c:3])-[N:5]-[c:6](:[c:7]):[s:8]>>[c:1](:[c:2]):[n:9]:[c:4](:[c:3])-[Br:10].[N:5]-[c:6](:[c:7]):[s:8]	3	5008,26078,26079
+[O:1]=[C:2](-[N:3]-[C:4]=[O:5])-[N:6]-[c:7]>>[O:1]=[C:2]=[N:3]-[C:4]=[O:5].[N:6]-[c:7]	3	5015,49050,51865
+[C:1]-[C:2]=[C:3]-[C:4]>>[C:1]-[C:2]=[C:5].[C:3](-[C:4])=[C:6]	3	5029,15472,23231
+[c:1]:[c:5]:[n:4]:[c:3](:[c:2])-[O:6]-[C:7]-[C:8](=[O:9])-[O:10]>>[O:6]-[C:7]-[C:8](=[O:9])-[O:10].[c:1]:[c:5]:[n:4]:[c:3](:[c:2])-[Cl:11]	3	5107,5108,5109
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[S:7]-[C:8]-[C:9]):[n:10]:1>>[C:8](-[C:9])-[Br:11].[c:1]:[c:2]-1:[c:3](:[c:4])-[N:5]-[C:6](=[S:7])-[N:10]-1	3	5199,30964,49471
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[C:6]-[C:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:5].[C:6](-[C:7])-[O:8]	3	5220,16528,44170
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Br:9]	3	5221,30516,49117
+[N:1]-[C:10]=1-[N:2]-[C:3](=[O:4])-[N:5]=[C:6](-[O:7]-[C:8])-[C:9]=1>>[O:7]-[C:8].[N:1]-[C:10]=1-[N:2]-[C:3](=[O:4])-[N:5]=[C:6](-[C:9]=1)-[Cl:11]	3	5338,16112,38843
+[N:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[N:1]-[C:2](=[O:3])-[Cl:6]	3	5351,31925,50489
+[n:1]:[c:11](:[c:2])-[N:10]-[C:9]=[C:5](-[C:3](=[O:4])-[O:13])-[C:6](=[O:7])-[O:8]-[C:12]>>[C:3](=[O:4])(-[C:5](-[C:6](=[O:7])-[O:16]-[C:15]-[C:14])=[C:9]-[O:8]-[C:12])-[O:13].[n:1]:[c:11](:[c:2])-[N:10]	3	5396,5403,5404
+[C:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[Br:5].[C:1]-[B:12]-1-[O:11]-[B:9](-[O:8]-[B:7](-[C:6])-[O:13]-1)-[C:10]	3	5417,38849,43625
+[C:1]-[C:2]-1=[N:3]-[N:4](-[c:5](:[n:6]):[c:7])-[C:8](=[O:9])-[C:10]-1>>[C:1]-[C:2](-[C:10]-[C:8](=[O:9])-[O:13]-[C:12]-[C:11])=[O:14].[N:3]-[N:4]-[c:5](:[n:6]):[c:7]	3	5500,50316,53520
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](:[c:9]:1)-[O:10]>>[C:1]-[C:2](-[C:9]-[C:8](=[O:10])-[O:13]-[C:12]-[C:11])=[O:14].[N:3]-[c:4](:[c:5]):[c:7]:[c:6]	3	5503,5515,5519
+[C:1]-[C:2](-[C:3]=[O:7])-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]-[C:4](=[O:5])-[O:6].[C:3](=[O:7])-[O:10]-[C:9]-[C:8]	3	5605,5613,31199
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5])-[C:6]>>[C:3](=[O:4])(-[N:5])-[O:9]-[C:8]-[C:7].[C:1]-[N:2]-[C:6]	3	5659,5660,5661
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:8]:[n:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:8]:[n:7])-[O:10]-[C:9].[C:1]-[N:2]	3	5717,41764,41862
+[n:1]:[c:2](-[N:3]-1-[N:4]=[C:5]-[C:6](-[c:7])-[C:8]-1=[O:9]):[c:10]>>[n:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6](-[c:7]):[c:8]:1-[O:9]-[C:11]):[c:10]	3	5797,10229,15422
+[O:1]-[C:2]-[N:3](-[c:4]:[c:6]:[n:5])-[S:7]>>[O:1]-[C:2]-[Cl:8].[N:3](-[c:4]:[c:6]:[n:5])-[S:7]	3	5840,5845,5846
+[C:1]-[C:2](-[C:5]-[C:3]#[N:4])=[O:6]>>[C:1]-[C:2](=[O:6])-[O:9]-[C:8]-[C:7].[C:3](#[N:4])-[C:5]	3	5920,13385,41221
+[C:1]-[C:2]-[N:3](-[C:4]-[C:5]=[C:6])-[C:7]>>[C:1]-[C:2]-[Cl:8].[N:3](-[C:4]-[C:5]=[C:6])-[C:7]	3	5942,10830,16488
+[O:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1>>[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1.[O:1]-[C:2]-[Cl:8]	3	5947,33896,33923
+[c:1]:1:[c:2]:[n:3](-[c:4]:2:[n:5]:[c:6](:[c:7](:[c:8]):[n:10]:2):[c:9]):[n:11]:[c:12]:1>>[c:4]:1(:[n:5]:[c:6](:[c:7](:[c:8]):[n:10]:1):[c:9])-[Cl:13].[c:1]:1:[c:2]:[n:3]:[n:11]:[c:12]:1	3	6003,6005,31170
+[C:1]-[N:2]-[C:3](=[O:4])-[n:5](:[c:6]:[c:7]):[c:8]>>[C:1]-[N:2].[C:3](=[O:4])(-[n:5](:[c:6]:[c:7]):[c:8])-[n:11]:1:[c:10]:[c:9]:[n:13]:[c:12]:1	3	6043,10122,41310
+[c:1]:1:[c:2]:[n:3]:[c:4](-[C:5](-[c:8]:[c:6]:[n:7])=[O:10]):[c:9]:1>>[C:5](-[c:8]:[c:6]:[n:7])(=[O:10])-[Cl:11].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:9]:1	3	6117,6121,6122
+[O:1]=[C:2](-[O:3]-[C:12]-[C:11])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]:[c:9]:[n:10]>>[C:6](=[O:7])(-[c:8]:[c:9]:[n:10])-[O:13].[O:1]=[C:2](-[O:3])-[C:4]-[N:5]-[C:12]-[C:11]	3	6156,30289,30290
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5]-[c:6])-[c:7]>>[O:1]-[C:2](=[O:3])-[C:4](-[c:7])-[Br:8].[O:5]-[c:6]	3	6176,51193,54580
+[C:1]-[C:2](=[O:3])-[N:4]-[N:5](-[N:6])-[C:7]=[O:8]>>[N:4]-[N:5](-[N:6])-[C:7]=[O:8].[C:1]-[C:2](=[O:3])-[O:9]	3	6180,6318,53902
+[c:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1):[n:8]:[c:9]:[c:10]>>[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1.[c:1]:[c:2](:[n:8]:[c:9]:[c:10])-[F:11]	3	6197,30849,41371
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:[n:6]:[c:7]:2-[C:8]):[c:9]:[c:10]:1>>[C:7](-[C:8])(=[O:11])-[O:12].[c:1]:1:[n:2]:[n:3]:[c:4](-[N:5]-[N:6]):[c:9]:[c:10]:1	3	6205,44126,44132
+[C:1](-[C:2]-[c:3])#[N:4]>>[C:2](-[c:3])-[Br:5].[C:1](#[N:4])-[C:6]	3	6299,6347,40321
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1):[c:11]>>[N:5]-[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1.[n:1]:[c:2](-[C:3](=[O:4])-[O:12]):[c:11]	3	6308,18536,49596
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])-[Br:4].[O:3]=[S:6](-[C:5])-[C:7]	3	6349,33607,33608
+[C:1]-[N:2]-1-[N:3]=[N:4]-[N:5]-[C:6]-1=[O:7]>>[N:2]-1-[N:3]=[N:4]-[N:5]-[C:6]-1=[O:7].[C:1]-[I:8]	3	6392,31377,31611
+[C:1]-[C:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]>>[C:3](-[c:4])-[Br:8].[C:1]-[C:2]-[C:5](=[O:6])-[O:7]	3	6517,23335,56193
+[C:1]-[C:2]-[S:3]-[C:5](-[C:4])=[O:6]>>[C:1]-[C:2]-[O:7].[S:3]=[C:5](-[C:4])-[O:6]	3	6591,18033,21521
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]):[o:7])-[C:8]>>[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[Cl:9].[C:1]-[N:2]-[C:8]	3	6616,6623,6624
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[C:7]>>[c:1]-[C:2](-[N:6]-[C:7])=[O:12].[N:3](=[N+:5]=[N-:4])-[Si:9](-[C:8])(-[C:10])-[C:11]	3	6655,34143,34145
+[C:1]-[C:2]-[N:3]-[O:4]>>[C:1]-[C:2]=[N:3]-[O:4]	3	6664,49365,52783
+[O:1]-[C:2](=[O:3])-[C:4](-[N:5]-[C:6])=[O:7]>>[N:5]-[C:6].[O:1]-[C:2](=[O:3])-[C:4](=[O:7])-[Cl:8]	3	6681,44206,44269
+[s:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[C:6]):[n:7]:[c:8]:[c:9]:1>>[N:5]-[C:6].[s:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[c:9]:1)-[Cl:10]	3	6684,7757,22309
+[C:1]-[C:2]-[c:3](:[c:4]):[s:5]>>[C:1]-[C:2](-[c:3](:[c:4]):[s:5])=[O:6]	3	6707,51487,52381
+[C:1](-[C:2]=[C:3])-[O:4]>>[C:1](-[C:2]=[C:3])-[O:4]-[C:6](-[C:5])=[O:7]	3	6732,43029,56114
+[C:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[C:6])-[N:7]-[c:8]:2:[c:9]:[n:10]:[c:11]:[c:12]:2-[C:13]-1-[c:14](:[c:15]):[o:16]>>[C:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:17].[N:7]-[c:8]:1:[c:9]:[n:10]:[c:11]:[c:12]:1.[C:13](-[c:14](:[c:15]):[o:16])=[O:18]	3	6755,25274,30830
+[C:1]-1(=[O:2])-[C:3]-[O:4]-[C:5](=[O:6])-[N:7]-1-[C:8]-[C:9]>>[C:1]-1(=[O:2])-[C:3]-[O:4]-[C:5](=[O:6])-[N:7]-1.[C:8](-[C:9])-[O:10]	3	6766,6767,6768
+[c:1]-[N:2]>>[c:1]-[N:2]-1-[C:4](=[O:3])-[c:5]:2:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:2-[C:11]-1=[O:12]	3	6802,7206,51368
+[c:1](-[C:2]=[C:3](-[O:4])-[C:5]=[O:6]):[c:7]:[n:8]>>[C:3](-[O:4])-[C:5]=[O:6].[c:1](-[C:2]=[O:9]):[c:7]:[n:8]	3	6805,19509,19512
+[C:1]=[C:2]-[C:3]-[N:4]-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:1]=[C:2]-[C:3]-[N:4]-1-[C:21](=[O:20])-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2-[C:28]-1=[O:29].[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:19]-[C:17](-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15])=[O:18]	3	6819,20908,21342
+[S:1](=[O:2])(=[O:3])(-[c:4]:1:[c:5]:[c:6]:[c:7]:[s:8]:1)-[Cl:9]>>[c:4]:1:[c:5]:[c:6]:[c:7]:[s:8]:1.[S:1](=[O:2])(-[O:3])(-[Cl:9])=[O:10]	3	6833,45736,45761
+[C:1](-[C:2](=[C:3]-[N:8])-[C:4](=[O:5])-[C:6])(-[C:7])=[O:9]>>[C:1](-[C:2]-[C:4](=[O:5])-[C:6])(-[C:7])=[O:9].[C:3](-[N:8])(-[O:11]-[C:10])-[O:12]-[C:13]	3	6966,28759,43153
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:9]-[S:7](=[O:6])(=[O:8])-[c:10]:1:[c:11]:[c:12]:[c:13](-[Br:14]):[c:15]:[c:16]:1	3	7011,13871,16205
+[C:1]-[n:2]:1:[c:3](-[c:4]):[n:5]:[n:6]:[c:7]:1-[N:8]>>[C:1]-[N:2]=[C:7](-[N:8])-[S:10]-[C:9].[C:3](-[c:4])(-[N:5]-[N:6])=[O:11]	3	7090,36820,36821
+[n:1]:[c:2]:[c:3](-[c:4](:[n:5]:[n:6]):[c:7]):[c:8]>>[c:4](:[n:5]:[n:6])(:[c:7])-[Cl:9].[n:1]:[c:2]:[c:3](:[c:8])-[B:11](-[O:10])-[O:12]	3	7111,17540,46557
+[N:1](=[C:2]-[c:3](:[c:4]:[n:5]):[n:6])-[O:7]>>[C:2](-[c:3](:[c:4]:[n:5]):[n:6])=[O:8].[N:1]-[O:7]	3	7119,24303,43081
+[C:1]-[c:2]:1:[n:3]:[n:4](-[C:5]):[c:6](-[c:7]):[c:8]:1>>[C:1]-[C:2](-[C:8]-[C:6](-[c:7])=[O:10])=[O:9].[N:3]-[N:4]-[C:5]	3	7156,17849,42331
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:8](-[c:7]):[c:9]:[n:10]:1>>[C:5](-[C:6])(-[N:8]-[c:7])=[O:11].[O:1]-[C:2](=[O:3])-[C:4]-[N+:10]#[C-:9]	3	7168,7170,30769
+[n:1]:[c:2]:[c:3](-[C:4]#[C:5]-[C:6]):[c:7]:[n:8]>>[C:4]#[C:5]-[C:6].[n:1]:[c:2]:[c:3](:[c:7]:[n:8])-[I:9]	3	7198,7199,19012
+[C:1]=[C:2]-[C:3](-[c:4])-[C:5](-[F:6])(-[F:7])-[F:8]>>[C:1]=[C:2].[C:3](-[c:4])(-[C:5](-[F:6])(-[F:7])-[F:8])-[Br:9]	3	7205,16070,33298
+[N:1]=[C:2](-[N:3])-[C:4]>>[C:2](-[N:3])(-[C:4])=[S:5].[N:1]	3	7290,10741,36922
+[N:1]#[C:2]-[C:3](-[N:4])-[C:5]>>[C:3](-[C:5])=[O:6].[N:1]#[C:2].[N:4]	3	7294,10042,12599
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[n:7]:[c:8]:[c:9]:1>>[c:4](:[c:5])(:[c:6])-[B:10]-1-[O:11]-[C:12](-[C:13])(-[C:14])-[C:17](-[C:16])(-[C:18])-[O:19]-1.[c:1]:1:[n:2]:[c:3](:[n:7]:[c:8]:[c:9]:1)-[I:15]	3	7366,28420,29038
+[N:1]-[C:2](-[C:3])=[C:4](-[C:5](=[O:6])-[N:7])-[Br:8]>>[Br:8]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14].[N:1]-[C:2](-[C:3])=[C:4]-[C:5](=[O:6])-[N:7]	3	7411,8115,8371
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5](-[C:6]):[s:8]:1)-[C:7]>>[C:4](-[C:5](-[C:6])-[Br:10])(-[C:7])=[O:9].[N:1]-[C:2](-[N:3])=[S:8]	3	7435,15338,52191
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6])-[C:7]):[c:8]:1>>[C:5](-[c:6])(-[C:7])-[O:9].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:8]:1	3	7450,36069,38792
+[c:1]-[C:2](-[N:3]-[N:4]-[C:5](-[C:6])=[O:7])=[O:8]>>[N:3]-[N:4]-[C:5](-[C:6])=[O:7].[c:1]-[C:2](=[O:8])-[O:9]	3	7468,23330,42340
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5]-[C:6]#[N:7])(-[C:8])-[C:9]):[n:10]:[c:11]:1>>[C:4](=[C:5]-[C:6]#[N:7])(-[C:8])-[C:9].[c:1]:1:[c:2]:[n:3]:[n:10]:[c:11]:1	3	7576,7863,22499
+[C:1]-[C:2](-[N:3])-[c:4]>>[C:1]-[C:2](=[N:3]-[O:6]-[C:5])-[c:4]	3	7598,12125,25660
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[C:3](=[O:4])(-[C:9])-[O:10].[N:5]-[C:6]	3	7675,12175,15373
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5])-[c:6]>>[N:1]-[C:2](=[O:3])-[C:4]-[c:6].[C:5]-[I:7]	3	7780,31386,31779
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6](-[N:7])=[O:8]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]#[N:7].[O:8]-[O:9]	3	7852,17912,34441
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5]-1):[c:6]>>[c:1]:[c:2](:[c:6])-[Cl:10].[C:3]-1(-[C:4]-[C:5]-1)-[B:8](-[O:7])-[O:9]	3	7916,10330,21371
+[c:1]:1:[n:2]:[c:3](:[n:4]:[c:5]:[c:6]:1)-[I:7]>>[c:1]:1:[n:2]:[c:3](:[n:4]:[c:5]:[c:6]:1)-[Cl:8].[I:7]	3	8031,39319,40426
+[C:1]-[N:2](-[C:3]-[C:4](-[F:5])(-[F:6])-[F:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[C:4](-[F:5])(-[F:6])-[F:7])-[O:12]-[S:10](=[O:9])(=[O:11])-[C:13](-[F:14])(-[F:15])-[F:16]	3	8037,9676,38213
+[c:1]:1(:[c:2]:[n:3]:[c:4]:[c:5]:[n:8]:1:[c:7]:[c:6])-[Br:9]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[n:8]:1:[c:7]:[c:6].[Br:9]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15]	3	8106,8107,8206
+[C:1]-[C:2](=[C:3])-[C:4]-[Br:5]>>[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[C:1]-[C:2](=[C:3])-[C:4]	3	8119,8318,8712
+[c:1]:[c:6]:[n:5](:[c:3](:[c:2])-[Br:4]):[c:8]:[c:7]>>[Br:4]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14].[c:1]:[c:6]:[n:5](:[c:3]:[c:2]):[c:8]:[c:7]	3	8130,8362,8364
+[c:1]:1:[c:2](-[Br:3]):[c:4]:[n:5]:[o:6]:1>>[Br:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1]:1:[c:2]:[c:4]:[n:5]:[o:6]:1	3	8195,8246,8696
+[C:1]-[C:2](-[Br:3])-[C:4]=[O:5]>>[Br:3]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[C:1]-[C:2]-[C:4]=[O:5]	3	8236,8495,8544
+[N:1]-[C:2]=[C:3](-[c:4])-[Br:5]>>[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[N:1]-[C:2]=[C:3]-[c:4]	3	8258,8422,8690
+[c:1]:1(:[c:2]:[c:3]:[c:4](:[c:5]):[n:6]:1)-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[c:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[n:6]:1	3	8260,8312,8674
+[N:1]-1-[C:2](=[O:3])-[C:4](-[Br:5])=[C:6](-[O:7])-[C:8]=[C:9]-1>>[Br:5]-[N:14]-1-[C:12](-[C:11]-[C:10]-[C:16]-1=[O:15])=[O:13].[N:1]-1-[C:2](=[O:3])-[C:4]=[C:6](-[O:7])-[C:8]=[C:9]-1	3	8381,8382,8503
+[c:1]:1:[c:2](:[c:3]:[c:4]:[s:5]:1)-[Br:6]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1]:1:[c:2]:[c:3]:[c:4]:[s:5]:1	3	8408,8528,8603
+[O:1]-[C:2](-[C:3](-[c:4])-[Br:6])=[O:5]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[O:1]-[C:2](-[C:3]-[c:4])=[O:5]	3	8461,8667,8694
+[C:1](=[O:2])(-[C:3]-[N:5](-[C:4])-[C:7](=[O:6])-[O:8])-[O:9]>>[C:1](=[O:2])(-[C:3]-[N:5]-[C:4])-[O:9].[O:6]=[C:7](-[O:8])-[Cl:10]	3	8818,44178,54415
+[C:1]-[C:2](-[C:3](=[O:4])-[O:6])-[C:5]>>[C:2](-[C:3](=[O:4])-[O:6])-[C:5].[C:1]-[I:7]	3	8849,19042,24702
+[C:1](=[O:2])(-[C:3]-[c:4]:1:[c:5](-[C:6]):[c:8](-[C:7]):[n:9]:[n:10]:1-[c:11])-[O:12]>>[C:1](=[O:2])(-[C:3]-[C:4](-[C:5](-[C:6])-[C:8](-[C:7])=[O:14])=[O:13])-[O:12].[N:9]-[N:10]-[c:11]	3	8921,8922,8926
+[O:1]=[C:2](-[O:3])-[C:4]-[N:5]-1-[C:6]-[C:7](-[O:8])=[C:9]-[C:10]-1=[O:11]>>[O:1]=[C:2](-[O:3])-[C:4]-[N:5].[C:6](-[C:7](-[O:8])=[C:9]-[C:10](=[O:11])-[O:14]-[C:13]-[C:12])-[Br:15]	3	8991,26633,26634
+[c:1](-[C:2](-[N:3])=[S:4]):[c:5]:[n:6]>>[c:1](-[C:2](-[N:3])=[O:18]):[c:5]:[n:6].[S:4]=[P:28]-1(-[c:7]:2:[c:8]:[c:9]:[c:10](-[O:11]-[C:12]):[c:13]:[c:14]:2)-[S:15]-[P:25](-[c:24]:3:[c:16]:[c:17]:[c:21](-[O:20]-[C:19]):[c:22]:[c:23]:3)(=[S:26])-[S:27]-1	3	9042,12451,50307
+[O:1]=[C:2]-1-[N:3]-[c:4]:[c:5]-[N:6](-[C:7])-[C:8]-1=[O:9]>>[N:3]-[c:4]:[c:5]-[N:6]-[C:7].[O:1]=[C:2](-[C:8](=[O:9])-[O:15]-[C:10]-[C:11])-[O:14]-[C:13]-[C:12]	3	9079,30891,30909
+[c:1]:[c:2](:[c:3])-[c:4]:1:[c:5]:[c:6]:[c:7](:[c:8]):[n:9]:1>>[c:4]:1(:[c:5]:[c:6]:[c:7](:[c:8]):[n:9]:1)-[Br:10].[c:1]:[c:2](:[c:3])-[B:12](-[O:11])-[O:13]	3	9118,12554,14349
+[n:1]:1:[c:2](:[c:3]):[c:4]:[c:5]:[c:6]:1>>[n:1]:1(:[c:2](:[c:3]):[c:4]:[c:5]:[c:6]:1)-[S:9](=[O:7])(-[C:8])=[O:10]	3	9123,38541,45321
+[C:1]-[N:2](-[N:3])-[C:8](-[N:4]-[c:5](:[n:6]):[s:7])=[O:9]>>[N:4](-[c:5](:[n:6]):[s:7])=[C:8]=[O:9].[C:1]-[N:2]-[N:3]	3	9136,29907,30291
+[C:1]-[C:3](-[c:2])=[N:4]-[S:5]>>[C:1]-[C:3](-[c:2])=[O:6].[N:4]-[S:5]	3	9141,10540,11503
+[C:1]-[C:2](=[C:3]-[O:4])-[C:5]>>[C:1]-[C:2](-[C:5])=[O:6].[C:3](-[O:4])-[P+:11](-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:25]:[c:24]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	3	9184,9550,49388
+[c:1](:[c:2]-[N:3]-[C:4](-[C:5])-[C:6]):[s:7]>>[C:4](-[C:5])(-[C:6])=[O:8].[c:1](:[c:2]-[N:3]):[s:7]	3	9194,10158,42750
+[C:1]-[C:2](=[O:3])-[C:4]>>[C:2](=[O:3])(-[C:4])-[N:7](-[O:6]-[C:5])-[C:8].[C:1]-[Li:9]	3	9202,26151,47543
+[N:1]-[C:2](=[O:3])-[C:4](-[N:5]-[N:6])=[O:7]>>[N:1]-[C:2](=[O:3])-[C:4](=[O:7])-[O:9]-[C:8].[N:5]-[N:6]	3	9271,9537,23789
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5]):[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2:[n:11]:1>>[O:4]-[C:5].[c:1]:1:[n:2]:[c:3](:[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2:[n:11]:1)-[Cl:12]	3	9514,19180,30442
+[C:1]-[N:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2]-[C:9].[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:10]	3	9625,15034,15655
+[N:1](-[C:2](=[O:3])-[N:4](-[C:5])-[C:6])-[C:8](=[O:7])-[O:9]>>[N:4](-[C:5])-[C:6].[N:1](-[C:2](=[O:3])-[O:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)-[C:8](=[O:7])-[O:9]	3	9651,9652,13539
+[c:1]:1:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[c:8]:[n:9]:[o:10]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[c:2](-[C:3](=[O:4])-[O:11]):[c:8]:[n:9]:[o:10]:1	3	9666,15178,15206
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[N:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[N:8])-[O:10]	3	9728,32621,32683
+[N:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[N:1]-[C:2](=[O:3])-[N:4](-[c:5](:[n:6]):[c:7])-[C:9](=[O:8])-[O:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	3	9860,13448,56949
+[C:1]-[c:2]:1:[n:3]:[c:4](-[N:5]):[n:6]:[o:7]:1>>[N:3]=[C:4](-[N:5])-[N:6]-[O:7].[C:1]-[C:2](=[O:8])-[O:9]	3	9862,9863,13456
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8]>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8])-[Cl:10]	3	9875,11630,41870
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:6].[N:5]	3	9884,40679,40680
+[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[c:6]):[n:7]:[n:8]:1>>[O:1]=[C:2]-1-[C:3]-[C:4]-[C:5](-[c:6])=[N:7]-[N:8]-1	3	9940,54037,54548
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2](=[O:3])-[N:5].[O:4]-[C:7](-[C:6])=[O:8]	3	10012,44120,44127
+[c:1]:[c:7](:[n:4]:[c:3]:[c:2])-[N:6]-[N:5]>>[c:1]:[c:7](:[n:4]:[c:3]:[c:2])-[Br:8].[N:5]-[N:6]	3	10056,42230,42305
+[C:1]=[C:2]-[C:3]-[O:4]>>[C:1]=[C:2]-[C:3]-[O:4]-[C:5]	3	10080,26273,56588
+[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5]:[n:6]:[n:7]:1>>[c:1]:[c:8](:[n:4]:[c:3]:[c:2])-[N:7]-[N:6].[C:5](-[O:12]-[C:11]-[C:10])(-[O:13]-[C:14]-[C:15])-[O:16]-[C:17]-[C:9]	3	10092,31068,31079
+[c:1]-[S:2](-[C:3])=[O:4]>>[c:1]-[S:2]-[C:3].[O:4]-[O:5]	3	10109,25421,45599
+[c:1]:[c:7](:[n:6]:[c:3](:[c:2])-[N:4]-[N:5]):[c:8]>>[c:1]:[c:7](:[n:6]:[c:3](:[c:2])-[Cl:9]):[c:8].[N:4]-[N:5]	3	10142,27724,42234
+[C:1]-[N:2](-[c:3]:1:[n:4]:[o:5]:[c:6]:[c:7]:1)-[C:8]>>[C:1]-[N:2]-[C:8].[c:3]:1(:[n:4]:[o:5]:[c:6]:[c:7]:1)-[Cl:9]	3	10321,15013,15039
+[N:1]-[c:2](:[c:3]):[n:4]>>[N:1](-[c:2](:[c:3]):[n:4])-[N:5]	3	10329,40119,53029
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]-[C:6](-[N:7])=[O:8]>>[N:3](-[C:4])-[C:5]-[C:6](-[N:7])=[O:8].[C:1]-[C:2]=[O:9]	3	10347,16402,53757
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]-[C:2]-[C:3](-[c:4])=[O:5]	3	10357,48644,51303
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6]:[n:7]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[N:7].[C:6](-[O:9]-[C:8])(-[O:10]-[C:11])-[O:12]-[C:13]	3	10401,43189,43201
+[c:1]:1:[c:2](-[N:3]-[C:4](=[O:5])-[O:6]-[C:7]):[c:8]:[c:9]:[s:10]:1>>[c:1]:1:[c:2](-[C:4](=[O:5])-[O:11]):[c:8]:[c:9]:[s:10]:1.[O:6]-[C:7].[N:3](=[N+:13]=[N-:12])-[P:14](=[O:15])(-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2	3	10403,27937,51013
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[C:4](-[c:5])(-[C:6]-[Cl:9])=[O:8].[N:1]-[C:2](-[N:3])=[S:7]	3	10425,34461,39624
+[C:1](=[C:2])-[C:3]-[O:7]-[C:5](-[C:4])=[O:6]>>[C:1](=[C:2])-[C:3]-[O:7].[C:4]-[C:5](=[O:6])-[Cl:8]	3	10433,10813,43994
+[O:1]=[C:2](-[C:3]-[N:4]-[c:5]:1:[n:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[O:11]>>[O:1]=[C:2](-[C:3]-[N:4])-[O:11].[c:5]:1(:[n:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[Cl:12]	3	10448,30761,52229
+[c:1](-[C:2](=[O:3])-[N:4]-[C:5]):[c:6]:[s:7]>>[N:4]-[C:5].[c:1](-[C:2](=[O:3])-[O:8]):[c:6]:[s:7]	3	10503,17220,41843
+[c:1]:1:[c:2]:[n:3]:2:[c:4](-[C:5]):[c:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:1>>[C:4](-[C:5])(-[C:6]=[O:11])-[Cl:12].[c:1]:1:[c:2]:[n:3]:[c:8](-[N:7]):[n:9]:[c:10]:1	3	10519,10520,54184
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[N:3]-[C:4](-[C:5])=[N:6]-[O:7].[C:1]-[C:2](=[O:8])-[O:9]	3	10670,19921,22562
+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-1-[c:8]>>[C:1]-[C:2](-[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-[c:8])=[O:9]	3	10676,38483,53485
+[c:1]-[O:2]-[c:3](:[n:4]:[n:5]):[c:6]>>[c:3](:[n:4]:[n:5])(:[c:6])-[I:7].[c:1]-[O:2]	3	10698,10699,10700
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:6].[C:1]-[N:2](-[C:5])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	3	10795,22795,22796
+[O:1]=[C:2](-[N:3]-[C:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[N:3]-[C:4].[O:1]=[C:2](-[c:5](:[c:6]:[n:7]):[n:8])-[O:11]-[C:10]-[C:9]	3	10815,26687,49826
+[C:1](-[O:2])-[C:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Br:7].[C:1]-1-[O:2]-[C:3]-1	3	10828,15254,15259
+[n:1]:[c:2]:[c:3](-[C:4]-[N:5]-[C:6]):[c:7]:[n:8]>>[N:5]-[C:6].[n:1]:[c:2]:[c:3](-[C:4]=[O:9]):[c:7]:[n:8]	3	10835,22669,49203
+[O:1]=[N:2]-[N:3](-[C:4])-[C:5](=[O:6])-[N:7]>>[N:3](-[C:4])-[C:5](=[O:6])-[N:7].[O:1]=[N+:2](-[N+:9](=[O:8])-[O-:10])-[O-:11]	3	10855,44081,48067
+[O:1]=[C:2]-1-[C:3]=[C:4](-[N:5]-[N:6])-[N:7]-[C:8](=[O:9])-[N:10]-1>>[O:1]=[C:2]-1-[C:3]=[C:4](-[N:7]-[C:8](=[O:9])-[N:10]-1)-[Cl:11].[N:5]-[N:6]	3	10873,26760,26772
+[c:1]-[C:2]=[C:3](-[C:4]#[N:5])-[S:6]>>[c:1]-[C:2]=[O:7].[C:3](-[C:4]#[N:5])-[S:6]	3	10925,27703,49680
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:11]:[c:7](:[n:5]:1-[C:6])-[c:8](:[c:9]):[n:10]>>[C:7](-[c:8](:[c:9]):[n:10])=[O:12].[c:1]:[c:4](:[c:3](:[c:2])-[N+:11](=[O:13])-[O-:14])-[N:5]-[C:6]	3	10976,10977,10978
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N:2].[C:3](=[O:4])(-[n:9]:1:[c:8]:[c:7]:[n:16]:[c:15]:1)-[n:10]:2:[c:11]:[c:12]:[n:13]:[c:14]:2	3	11004,11044,26011
+[C:1](-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]=[C:10]>>[C:1](-[N:2])-[C:9]=[C:10].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	3	11086,48608,56164
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5](=[O:6])-[N:7])-[c:8]):[n:9]>>[N:4](-[C:5](=[O:6])-[N:7])-[c:8].[n:1]:[c:2](-[C:3]-[Cl:10]):[n:9]	3	11089,11090,26722
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2].[C:3](-[C:4])-[O:13]-[S:10](-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:5](:[c:14]:1)-[N+:16](=[O:15])-[O-:17])(=[O:11])=[O:12]	3	11100,45864,45865
+[O:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[Br:5].[O:1]-[O:6]	3	11103,25446,28761
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[N:7](-[C:8])-[C:9]):[n:10]:1>>[N:7](-[C:8])-[C:9].[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](:[n:10]:1)-[Cl:11]	3	11107,23318,49846
+[N:1]-[C:2]=[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[N:1]-[C:2]=[C:3]-[C:4]=[O:8]	3	11146,11162,11163
+[c:1](-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:7]:[n:8]:1):[c:9]):[c:10]:[n:11]>>[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:7]:[n:8]:1):[c:9])-[Cl:12].[c:1](-[N:2]):[c:10]:[n:11]	3	11173,14272,14273
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[n:5]:1)-[C:7](=[O:6])-[O:8]	3	11187,28827,48984
+[c:1]:1:[c:2]:[n:3](-[S:4](=[O:5])(=[O:6])-[C:7]):[n:8]:[c:9]:1>>[S:4](=[O:5])(=[O:6])(-[C:7])-[Cl:10].[c:1]:1:[c:2]:[n:3]:[n:8]:[c:9]:1	3	11239,44914,45137
+[C:1]-[C:2](-[C:3]-[C:4]-[C:5](-[c:6](:[n:7]):[s:8])=[O:9])=[O:10]>>[C:1]-[C:2](-[C:3]=[C:4])=[O:10].[C:5](-[c:6](:[n:7]):[s:8])=[O:9]	3	11253,11254,15416
+[c:1]:[c:2](:[c:3])-[Br:8]>>[c:1]:[c:2]:[c:3].[C:4]-1(=[O:5])-[N:6](-[Br:7])-[C:10](=[O:9])-[N:11]-[C:12](=[O:13])-[N:14]-1-[Br:8]	3	11287,41581,41582
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:10](-[C:9])=[O:11].[c:1]-[N:2]	3	11300,14029,52849
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[Br:5].[O:3]	3	11313,42954,42985
+[c:1](:[c:2]:[c:3]):[c:5](:[c:4])-[N:6]>>[c:1](:[c:2](:[c:3])-[N+:6](=[O:7])-[O-:8]):[c:5]:[c:4]	3	11346,14452,43876
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[n:5]:[c:6]:[n:7](-[c:8](:[n:9]):[c:10]):[c:11]:2:[n:12]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](-[N+:5](=[O:15])-[O-:16]):[c:11](-[N:7]-[c:8](:[n:9]):[c:10]):[n:12]:1.[C:6](-[N:13])=[N:14]	3	11358,27431,27432
+[O:1]-[B:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)-[O:8]>>[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:1)-[Br:9].[O:1]-[B:2](-[O:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	3	11457,12022,28201
+[c:1]:1:[n:2]:[n:3]:[n:4]:[n:5]:1>>[c:1]:1:[n:2]:[n:3]:[n:4]:[n:5]:1-[C:9]-[C:8]-[C:7]#[N:6]	3	11486,20037,22078
+[C:1]-[N:2](-[C:3]-[C:4]=[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[C:4]=[C:5])-[Cl:7]	3	11517,37689,42793
+[C:1](-[C:2])-[C:4]-[O:3]>>[C:1](-[C:2])=[C:4]-[O:3]	3	11613,13997,34621
+[c:1]:1:[n:2]:[c:3]:[n:4](-[C:5](-[C:6])-[C:7]):[c:8]:1:[n:9]>>[C:5](-[C:6])(-[C:7])-[Br:10].[c:1]:1:[n:2]:[c:3]:[n:4]:[c:8]:1:[n:9]	3	11682,11683,26360
+[C:1]-[C:2](-[C:3])-[C:4]>>[C:1]-[C:2](-[C:3])=[C:4]	3	11690,25500,46810
+[c:1]:1:[c:2](-[C:3](-[C:4])=[O:8]):[c:5]:[c:6]:[o:7]:1>>[C:3](-[C:4])(=[O:8])-[Cl:9].[c:1]:1:[c:2]:[c:5]:[c:6]:[o:7]:1	3	11707,29858,37724
+[N:1](-[O:2])-[C:3]=[O:4]>>[N:1](-[O:2]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1)-[C:3]=[O:4]	3	11718,54956,56612
+[C:1](-[C:2](=[O:3])-[O:12])-[N:10](-[c:5]:1:[c:4]:[c:9]:[n:8]:[c:7]:[n:6]:1)-[C:11]>>[C:1](-[C:2](=[O:3])-[O:12])-[N:10]-[C:11].[c:4]:1:[c:5](:[n:6]:[c:7]:[n:8]:[c:9]:1)-[Cl:13]	3	11754,13086,27086
+[c:1]:1:[c:2](-[c:3]:2:[n:4]:[c:5](-[N:6]):[n:7]:[c:8]:[c:9]:2):[c:10]:[n:11]:[n:12]:1>>[N:4]-[C:5](-[N:6])=[N:7].[c:1]:1:[c:2](-[C:3](-[C:9]=[C:8]-[N:14](-[C:13])-[C:15])=[O:16]):[c:10]:[n:11]:[n:12]:1	3	11755,11757,32000
+[n:1]:[n:2](:[c:3](:[c:4])-[Cl:8]):[c:6](:[c:5]):[c:7]>>[n:1]:[n:2](:[c:3]:[c:4]):[c:6](:[c:5]):[c:7].[Cl:8]-[C:10](-[Cl:9])(-[Cl:11])-[Cl:12]	3	11770,11781,12221
+[N:1]-[c:2]>>[N:1](-[c:2])-[C:5](-[O:4]-[C:3])=[O:6]	3	11812,48139,52996
+[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[C:7](=[O:8])-[N:9]-[S:10]>>[N:9]-[S:10].[N:1]-[C:2](=[O:3])-[C:4]=[C:5]-1-[O:6]-[C:12](-[C:11])(-[C:13])-[O:14]-[C:7]-1=[O:8]	3	11820,45323,45583
+[C:1]-[C:2]=[C:3]-[C:4]-[O:5]>>[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:8]-[C:7]-[C:6]	3	11844,24955,27046
+[O:1]=[C:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:13]:1:[c:12]:[c:8](:[c:7])-[c:9](:[c:10]):[c:11]>>[c:9](:[c:10])(:[c:11])-[Br:23].[O:1]=[C:2]-[N:21](-[C:20])-[C:22].[c:3]:1:[c:4]:[n:5]:[c:6]:[c:13]:1:[c:12]:[c:8](:[c:7])-[B:17]-2-[O:16]-[C:15]-[C:25](-[C:14])(-[C:19]-[O:18]-2)-[C:24]	3	11885,28807,28808
+[N:1]-[C:7](-[N:3](-[C:2])-[c:4](:[c:5]):[c:6])=[O:8]>>[c:4](:[c:5])(:[c:6])-[Br:9].[N:1]-[C:7](-[N:3]-[C:2])=[O:8]	3	11951,41614,49721
+[N:1]#[C:2]-[c:3](:[c:4]:[c:5]:[n:7]):[c:6]>>[c:3](:[c:4]:[c:5]:[n:7])(:[c:6])-[Br:8].[N:1]#[C:2]	3	12003,40014,41172
+[O:1]=[C:2]-[C:3]#[C:4]>>[O:1]-[C:2]-[C:3]#[C:4]	3	12013,34614,57312
+[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[N:6]-[C:7]-1=[C:8](-[C:9])-[N:10]-[N:11]-[C:12]-1=[O:13]>>[N:6]-[C:7]-1=[C:8](-[C:9])-[N:10]-[N:11]-[C:12]-1=[O:13].[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[O:14]	3	12070,12494,12495
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:7]-[C:6].[C:1]-[O:2]	3	12090,12519,18407
+[C:1](=[O:2])(-[C:3](-[O:4])-[C:5])-[O:6]>>[C:1](=[O:2])(-[C:3](-[C:5])-[N:7])-[O:6].[O:4]	3	12119,26607,42967
+[O:1]=[C:2](-[C:3]=[C:4]-[c:5])-[N:6]>>[C:4](-[c:5])=[O:15].[O:1]=[C:2](-[C:3]-[P:10](-[O:9]-[C:8]-[C:7])(=[O:11])-[O:12]-[C:13]-[C:14])-[N:6]	3	12239,38503,43433
+[c:1]:[c:2](-[C:3](-[N:4])=[O:5]):[o:6]>>[c:1]:[c:2](-[C:3](=[O:5])-[O:9]-[C:8]-[C:7]):[o:6].[N:4]	3	12259,40779,40900
+[C:1](=[O:2])(-[c:3](:[c:4]):[n:5])-[O:6]>>[C:1](=[O:2])-[c:3](:[c:4]):[n:5].[O:6]-[O:10]-[S:8](=[O:7])-[O:9]	3	12261,29742,47399
+[C:1]-[C:2]-1=[C:3]-2-[C:4](=[O:5])-[N:6]=[C:7](-[c:8])-[N:9]=[C:10]-2-[N:11](-[C:12])-[N:13]-1>>[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[N:6]):[c:10](-[N:9]):[n:11](-[C:12]):[n:13]:1.[C:7](-[c:8])=[O:14]	3	12262,12263,12264
+[C:1]-1(-[C:2](-[O:3]-[C:7])(-[c:4])-[O:8]-1)(-[C:5])-[C:6]>>[C:1](-[C:2](-[c:4])=[O:8])(-[C:5])(-[C:6])-[Br:9].[O:3]-[C:7]	3	12294,12651,33137
+[C:1]-[N:2](-[C:3])-[C:6](=[N:5]-[c:4])-[N:7]>>[C:1]-[N:2]-[C:3].[c:4]-[N:5].[C:6](#[N:7])-[Br:8]	3	12492,41205,41206
+[C:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[O:6].[C:1]-[O:2]	3	12525,21891,27154
+[c:1](:[c:2])(:[c:4]:[n:3])-[B:6](-[O:5])-[O:7]>>[c:1](:[c:2])(:[c:4]:[n:3])-[Br:10].[O:5](-[B:6](-[O:7]-[C:18](-[C:8])-[C:9])-[O:14]-[C:12](-[C:11])-[C:13])-[C:15](-[C:16])-[C:17]	3	12534,27189,27210
+[N:1]-1-[N:2]-[C:3]-[N:4](-[c:5](:[n:6]):[s:7])-[C:8]-1=[O:9]>>[N:1](-[N:2])-[C:8](-[N:4]-[c:5](:[n:6]):[s:7])=[O:9].[C:3]=[O:10]	3	12566,16623,16709
+[C:1]-[O:2]-[C:3](=[N:4])-[N:5]>>[C:3](#[N:4])-[N:5].[C:1]-[O:2]	3	12666,14301,29401
+[C:1]-[N:2](-[C:3](-[C:4])=[O:6])-[C:5]>>[C:3](-[C:4])(=[O:6])-[O:8]-[C:7].[C:1]-[N:2]-[C:5]	3	12670,12723,15644
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[s:8]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[c:2]:[n:3]:[c:4](:[s:8]:1)-[Cl:9]	3	12703,14699,41676
+[C:1]-[C:2](=[C:3](-[C:4]-[N:5](-[C:6])-[C:7])-[N:8])-[C:9]>>[N:5](-[C:6])-[C:7].[C:1]-[C:2](=[C:3](-[C:4]-[Br:10])-[N:8])-[C:9]	3	12751,16314,36409
+[c:1]:[c:2](-[N:3]-[c:4](:[c:5]):[c:7]:[n:6]):[n:8]>>[c:4](:[c:5])(:[c:7]:[n:6])-[Br:9].[c:1]:[c:2](-[N:3]):[n:8]	3	12852,20179,23124
+[c:1]:1:[c:2](-[N:3](-[C:4])-[C:5]):[n:6]:[c:7](:[c:8]):[c:9]:1>>[N:3](-[C:4])-[C:5].[c:1]:1:[c:2](:[n:6]:[c:7](:[c:8]):[c:9]:1)-[Cl:10]	3	12891,13817,19469
+[c:1]:[c:2]:1:[c:3](:[o:4]:[c:5](-[N:6](-[C:7])-[C:8]):[n:9]:1):[c:10]>>[N:6](-[C:7])-[C:8].[c:1]:[c:2]-1:[c:3](-[O:4]-[C:5](-[N:9]-1)=[S:11]):[c:10]	3	12893,14985,18711
+[c:1]:[c:2]:1-[N:3]-[C:4](-[C:5])-[C:6]-[C:7]-[c:8]:1:[c:9]>>[c:1]:[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:[c:7]:[c:8]:1:[c:9]	3	12969,35918,56987
+[c:1]-[C:2](-[C:3])-[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[n:8]>>[c:1]-[C:2](-[C:3])-[Cl:10].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[n:8]	3	12974,33321,34385
+[O:1]=[C:2]-[N:6](-[C:4](-[N:3])=[O:5])-[O:7]>>[O:1]=[C:2]-[N:6](-[C:4](-[N:3])=[O:5])-[O:7]-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1	3	12977,56614,56615
+[C:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[C:1]=[C:2]-[c:3](:[n:4]):[c:5]	3	12997,17904,24269
+[N:1](-[c:2]:1:[c:3]:[c:4](:[n:5]):[n:6]:[c:7]:[c:8]:1)-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]>>[c:2]:1(:[c:3]:[c:4](:[n:5]):[n:6]:[c:7]:[c:8]:1)-[Br:16].[N:1]-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]	3	13005,21940,21943
+[c:1](:[c:2]:[c:3](-[N:4](-[C:5])-[C:7](-[C:6])=[O:8]):[c:9]):[n:10]>>[N:4](-[C:5])-[C:7](-[C:6])=[O:8].[c:1](:[c:2]:[c:3](:[c:9])-[Br:11]):[n:10]	3	13070,19761,23138
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]>>[O:1]=[C:2](-[C:3])-[O:17].[N:4](-[C:5])(-[C:6]-[C:7](=[O:8])-[N:9])-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16]	3	13205,19984,22852
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[O:1]-[C:2](=[O:3])-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1	3	13214,13870,13889
+[c:1]:[c:2](-[C:3](=[O:4])-[O:6]-[C:8]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:9].[C:3](=[O:4])(-[O:7])-[C:10].[O:6]-[C:8]	3	13320,32852,32853
+[C:1](-[C:2](=[C:3](-[C:4])-[Cl:7])-[C:5])=[O:6]>>[C:2](-[C:3](-[C:4])=[O:8])-[C:5].[C:1](=[O:6])-[N:10](-[C:9])-[C:11].[Cl:7]-[P:13](=[O:12])(-[Cl:14])-[Cl:15]	3	13349,29533,32068
+[c:1]:1:[n:2]:[c:3]:[n:4](-[C:5]-[C:6]):[c:7]:1:[n:8]>>[C:5](-[C:6])-[Br:9].[c:1]:1:[n:2]:[c:3]:[n:4](:[c:7]:1:[n:8])-[C:28]-[C:27]-[C:26]-[C:25]-2-[N:20](-[C:11](=[O:10])-[O:12]-[C:13]-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3)-[C:21]-[C:22]-[C:23]-[C:24]-2	3	13432,13451,52582
+[N:1](-[C:2])-[C:3]>>[N:1](-[C:2])(-[C:3])-[C:5]=[O:4]	3	13461,14162,45414
+[N:1]#[C:2]-[c:3](:[c:4]):[n:6]:[n:5]>>[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:7].[N:1]#[C:2]	3	13564,23033,41075
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[n:6]):[n:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](=[O:4])(-[c:5](:[n:6]):[n:7])-[O:11]-[C:10]-[C:9]	3	13658,14664,21641
+[O:1]-[C:2](-[C:3]-[N:4](-[C:5])-[C:6])=[C:7]-[C:8]>>[N:4](-[C:5])-[C:6].[O:1]-[C:2](-[C:3]-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12])=[C:7]-[C:8]	3	13684,15607,15610
+[c:1]:[c:2](-[N:3](-[C:4])-[C:6](-[O:5])=[O:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[N:3](-[C:4])-[C:6](-[O:5])=[O:7]	3	13936,43781,43783
+[c:1]:[c:2](-[N:3]):[n:4]:[c:5]:[c:6]>>[c:1]:[c:2](:[n:4]:[c:5]:[c:6])-[Cl:7].[N:3]=[C:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:20]:[c:19]:1)-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2	3	13952,31938,52116
+[c:1]-1:[c:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])=[N:8]-1>>[c:1](:[c:2]-[C:3](=[O:4])-[O:9])-[N:8]-[C:6](=[O:5])-[C:7]	3	14031,49672,49863
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[B:3](-[O:4])-[O:5]	3	14038,22910,28540
+[c:1]-[C:2]-[S:3]-[c:4](:[n:5]):[n:6]>>[c:1]-[C:2]-[Br:7].[S:3]-[c:4](:[n:5]):[n:6]	3	14092,14255,49453
+[C:1]-1=[N:2]-[N:3](-[C:4])-[C:5](=[O:6])-[N:7]-1>>[C:1]-1=[N:2]-[N:3]-[C:5](=[O:6])-[N:7]-1.[C:4]-[I:8]	3	14104,31475,31699
+[c:1]:1:[c:2]:[s:3]:[c:4]:[c:5]:1>>[c:1]:1:[c:2](:[s:3]:[c:4]:[c:5]:1)-[Br:6]	3	14170,44516,54276
+[N:1]-[C:2](=[S:3])-[C:4]>>[N:1]#[C:2]-[C:4].[S:3]	3	14171,16081,39966
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[N+:3](-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10])(=[O:12])-[O-:13].[c:1]-[C:2]=[O:11]	3	14172,42800,55141
+[c:1]-[C:2]-[F:3]>>[c:1]-[C:2]-[O:12].[F:3]-[S:9](-[N:6](-[C:5]-[C:4])-[C:7]-[C:8])(-[F:10])-[F:11]	3	14182,22123,40239
+[c:1]:[c:2](-[c:3]:1:[c:4](:[n:5]):[n:6]:[n:7]:[c:8]:1):[c:9]>>[c:3]:1(:[c:4](:[n:5]):[n:6]:[n:7]:[c:8]:1)-[Br:10].[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13]	3	14300,30242,53404
+[N:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:1]-[C:2](=[O:3])-[N:4]-[O:5]-[C:10]-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:1	3	14323,20551,26018
+[O:1]=[C:2](-[N:3]-[C:4])-[N:5]>>[O:1]=[C:2](-[N:5])-[Cl:6].[N:3]-[C:4]	3	14345,14347,31923
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5]):[c:6]>>[C:3]=[C:4]-[C:5].[c:1]:[c:2](:[c:6])-[Br:7]	3	14365,18361,25923
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[c:7]):[n:8]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:9]):[n:8].[N:5](-[C:6])-[c:7]	3	14423,32400,51421
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]=[O:6]>>[C:3](=[O:4])(-[C:5]=[O:6])-[Cl:7].[c:1]-[N:2]	3	14444,51748,53568
+[s:1]:[c:2]:1:[c:3](:[n:4]:[c:5]:[n:6]:[c:7]:1)-[Cl:8]>>[s:1]:[c:2]:1:[c:3](:[n:4]:[c:5]:[n:6]:[c:7]:1)-[O:13].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	3	14490,35251,35465
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[c:6](:[c:7]:[c:9]:[n:10]:1):[c:8]):[c:11]:[n:12]>>[c:4]:1(:[n:5]:[c:6](:[c:7]:[c:9]:[n:10]:1):[c:8])-[Cl:13].[n:1]:[c:2]:[c:3](:[c:11]:[n:12])-[B:15](-[O:14])-[O:16]	3	14498,14499,20851
+[c:1]-[C:2](=[O:3])-[N:4]>>[c:1]-[C:2]#[N:4].[O:3]=[S:6](=[O:5])(-[O:7])-[O:8]	3	14517,36311,45799
+[c:1](:[n:2]):[c:3]-[C:4](-[N:5])=[O:6]>>[c:1](:[n:2]):[c:3]-[C:4](=[O:6])-[O:8]-[C:7].[N:5]	3	14549,22368,40894
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[c:6])-[c:7](:[c:8]:[n:9]):[n:10]>>[N:3]-[c:4](:[n:5]):[c:6].[O:1]=[C:2](-[c:7](:[c:8]:[n:9]):[n:10])-[O:11]	3	14550,20128,20129
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10].[C:1]-[C:2](=[O:11])-[O:12]	3	14589,28832,42527
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[c:6](:[c:7]:[c:9]:[n:10]:1):[c:8]):[c:11]:[n:12]>>[c:4]:1(:[n:5]:[c:6](:[c:7]:[c:9]:[n:10]:1):[c:8])-[Cl:18].[n:1]:[c:2]:[c:3](:[c:11]:[n:12])-[B:13]-1-[O:14]-[C:15](-[C:16])(-[C:17])-[C:20](-[C:19])(-[C:21])-[O:22]-1	3	14598,15882,22911
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[o:8]>>[c:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[c:6](:[c:7]):[o:8])-[Cl:9]	3	14619,36037,45521
+[C:1]-[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](-[C:3])-[O:15]-[S:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[C:7]):[c:17]:[c:16]:1)(=[O:13])=[O:14]	3	14693,32599,46085
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]:[n:7]>>[N:3](-[C:4])-[C:5].[c:1]:[c:2](:[c:6]:[n:7])-[F:8]	3	14819,23506,32564
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[C:4])(-[C:5])-[I:7]	3	14831,22599,26926
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]-[N:2]-[C:4].[C:3]-[O:5]	3	14928,29577,33154
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[c:1]-[S:2](=[O:3])(=[O:4])-[O:8]	3	14988,15739,27074
+[N:1]-[C:2](=[O:3])-[c:4]:[c:5]:[o:6]>>[C:2](=[O:3])(-[c:4]:[c:5]:[o:6])-[O:8]-[C:7].[N:1]	3	15152,40848,40953
+[o:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[o:1]:[c:2](-[C:3]=[O:8]):[c:7]	3	15160,15774,45151
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[N:6])-[C:7]>>[C:1]-[N:2]-[C:7].[S:3](=[O:4])(=[O:5])(-[N:6])-[N:8]	3	15162,42364,42366
+[O:1]-[C:2]-[C:3]-[n:4]:1:[c:5]:[c:6]:[c:7]:[c:9]:1:[c:8]>>[O:1]-1-[C:2]-[C:3]-1.[n:4]:1:[c:5]:[c:6]:[c:7]:[c:9]:1:[c:8]	3	15257,51391,54066
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](-[O:3])(-[C:4])-[C:5]	3	15265,24469,26120
+[O:1]-[C:2](-[C:3])-[O:4]>>[O:1]=[C:2](-[C:3])-[O:4]	3	15270,39699,57033
+[c:1](:[n:2]):[c:4](:[c:3])-[B:6](-[O:5])-[O:7]>>[c:1](:[n:2]):[c:4]:[c:3].[O:5](-[B:6](-[O:7]-[C:15](-[C:16])-[C:17])-[O:11]-[C:9](-[C:8])-[C:10])-[C:12](-[C:13])-[C:14]	3	15308,22920,27216
+[C:1]-[C:2](-[N:3](-[C:4]-[C:5]=[C:6])-[C:7])=[O:8]>>[C:1]-[C:2](=[O:8])-[O:9].[N:3](-[C:4]-[C:5]=[C:6])-[C:7]	3	15354,27846,32531
+[C:1]-[C:2](-[O:3])-[C:4]>>[C:2](=[O:3])-[C:4].[C:1]-[Li:5]	3	15362,26670,27421
+[C:1](=[O:2])(-[O:3]-[C:4])-[Cl:5]>>[O:3]-[C:4].[C:1](=[O:2])(-[Cl:5])-[Cl:6]	3	15374,34939,34960
+[n:1]:[c:2](-[C:3]-[O:4]-[C:5]):[c:6]>>[O:4]-[C:5].[n:1]:[c:2](-[C:3]-[Cl:7]):[c:6]	3	15375,32731,33189
+[C:1]-[N:2](-[C:3](=[O:4])-[Cl:6])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](=[O:4])(-[Cl:6])-[Cl:7]	3	15485,17872,34955
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[s:9]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2](-[N:3]):[s:9].[C:4](=[O:5])(-[Cl:10])-[O:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	3	15515,15516,46074
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[s:6]:1):[c:7]):[c:8]>>[N:1]-[C:2](-[N:3]-[c:4](:[c:5]:[c:7]):[c:8])=[S:6]	3	15521,15923,50424
+[c:1]:1:[c:2](-[Cl:3]):[n:4]:[n:5]:[c:6]:1>>[c:1]:1:[c:2]:[n:4]:[n:5]:[c:6]:1.[Cl:3]-[C:11](-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10])(-[Cl:12])-[Cl:13]	3	15527,34816,34818
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[Cl:4].[N:1]	3	15815,40752,40944
+[c:1]-[N:3](-[C:2])-[N:4]=[O:5]>>[c:1]-[N:3]-[C:2].[N:4](=[O:5])-[O:6]	3	15825,17902,47234
+[c:1]:[c:2](-[C:3]=[C:4]-1-[C:5](=[O:6])-[N:7]-[c:8](:[c:9]-1:[c:10]:[n:11]):[n:12]):[n:13]>>[c:1]:[c:2](-[C:3]=[O:14]):[n:13].[C:4]-1-[C:5](=[O:6])-[N:7]-[c:8](:[c:9]-1:[c:10]:[n:11]):[n:12]	3	15834,32357,48925
+[N:1]-[C:2]=[C:3](-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[c:10](:[c:11]):[o:12]>>[N:1]-[C:2]=[C:3](-[c:10](:[c:11]):[o:12])-[Br:13].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[B:18]-2-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-2)(-[C:21])-[C:22]	3	15850,28326,29253
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]:[n:8]>>[c:3](:[c:4])(:[c:6]:[n:5])-[I:18].[c:1]:[c:2](:[c:7]:[n:8])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	3	15901,28511,29273
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:8]:[c:6](:[n:5]:1)-[C:7]>>[c:1]:[c:4](:[c:3](:[c:2])-[N+:8](=[O:10])-[O-:11])-[N:5]-[C:6](-[C:7])=[O:9]	3	15906,37447,49675
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[s:8]:1>>[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12].[c:1]:1:[n:2]:[c:3]:[c:4](:[s:8]:1)-[Br:9]	3	15932,42780,46728
+[C:1](-[c:2](:[n:3]):[c:4])=[O:5]>>[C:1](-[c:2](:[n:3]):[c:4])(=[O:5])-[O:7]-[C:6]	3	15969,49213,49789
+[S:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:4](-[C:5])-[O:6].[S:1]-[N:2]-[C:3]	3	15996,24827,32377
+[n:1]:[c:2]:[c:3]-[C:4](-[N:5]-[N:6]-[C:7](-[C:8])=[O:9])=[O:10]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:10])-[O:11].[N:5]-[N:6]-[C:7](-[C:8])=[O:9]	3	16093,22557,42335
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8](:[c:9]:[n:10]):[c:12]:[n:11]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8](:[c:9]:[n:10]):[c:12]:[n:11])-[O:13]	3	16128,17447,17505
+[C:1](-[C:2])(-[N:3])=[S:4]>>[C:1](-[C:2])(-[N:3])=[O:14].[S:4]=[P:11]-1-2-[S:10]-[P:7]-3(-[S:6]-[P:18](=[S:5])(-[S:13]-1)-[S:17]-[P:16](-[S:9]-3)(-[S:12]-2)=[S:15])=[S:8]	3	16177,43260,47429
+[N:1]#[C:2]-[C:3]=[C:4](-[c:5])-[c:6]>>[C:4](-[c:5])(-[c:6])=[O:15].[N:1]#[C:2]-[C:3]-[P:10](-[O:9]-[C:8]-[C:7])(=[O:11])-[O:12]-[C:13]-[C:14]	3	16350,33398,43430
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]=[C:9](-[N:10]-[C:11])-[S:12]>>[N:8]-[C:9](=[N:10]-[C:11])-[S:12].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:20]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]	3	16354,21079,21175
+[N:1](-[C:2])-[C:3]>>[N:1](-[C:2])(-[C:3])-[S:9](-[c:8]:1:[c:7]:[c:6]:[c:5](-[C:4]):[c:13]:[c:12]:1)(=[O:10])=[O:11]	3	16386,52078,53968
+[c:1]-[C:2]-[S:3]-[c:4]>>[c:1]-[C:2]-[Cl:5].[S:3]-[c:4]	3	16419,25708,51805
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5](:[n:6]):[n:7]):[c:8](-[C:9]):[c:10]:1>>[N:3]-[N:4]-[c:5](:[n:6]):[n:7].[C:1]-[C:2](-[C:10]-[C:8](-[C:9])=[O:11])=[O:12]	3	16430,16791,16802
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[s:13]:1>>[C:6](=[O:7])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[s:13]:1)-[O:14].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5].[N:8](=[N+:16]=[N-:15])-[P:17](=[O:18])(-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1)-[c:25]:2:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:2	3	16435,17920,17981
+[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[c:7]:2:[c:8]-1:[n:9]:[c:10]:[n:11]:2>>[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[C:7](=[C:8]-1-[N:9])-[N:11].[C:10](=[O:12])-[O:13]	3	16460,36174,41633
+[N:1]-1-[C:2](=[O:3])-[N:4](-[C:5])-[C:6](=[O:7])-[C:8]=[C:9]-1>>[N:1]-1-[C:2](=[O:3])-[N:4]-[C:6](=[O:7])-[C:8]=[C:9]-1.[C:5]-[I:10]	3	16461,16464,24870
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[O:5]-1>>[C:1]-[C:2](-[C:3])=[C:4].[O:5]-[O:8]-[C:7](=[O:6])-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13](-[Cl:14]):[c:15]:1	3	16509,19356,36554
+[C:1](-[C:2])(-[C:3]-[C:4]-[C:5](-[c:6])=[O:8])=[O:7]>>[C:1](-[C:2])(-[C:3]=[C:4])=[O:7].[C:5](-[c:6])=[O:8]	3	16515,16518,16521
+[C:1](-[C:2])(-[N:4]-[c:3])=[O:5]>>[C:1](-[C:2])(=[O:5])-[O:7]-[C:6].[c:3]-[N+:4](=[O:8])-[O-:9]	3	16545,50877,51598
+[C:1](-[C:2](-[O:3]-[c:4])-[C:5])-[O:6]>>[C:1]=[C:2]-[C:5].[O:3]-[c:4].[O:6]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1	3	16546,32028,36588
+[C:1]-[N:2](-[C:3])-[C:4](-[C:5])-[C:6]>>[C:3]=[O:8].[C:4](-[C:5])(-[C:6])=[O:7].[C:1]-[N:2]	3	16613,16614,16615
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]-[O:6])(-[c:7])-[c:8]>>[C:5]=[O:6].[N:1]-[C:2](=[O:3])-[C:4](-[c:7])-[c:8]	3	16665,16728,16733
+[c:1]-[N:2]-1-[C:3]-[N:4](-[c:5])-[C:6]-[C:7]-1=[O:8]>>[C:3]=[O:9].[c:1]-[N:2]-[C:7](-[C:6]-[N:4]-[c:5])=[O:8]	3	16711,16712,16755
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[C:7]):[c:8]:1>>[C:1]-[C:2](-[C:8]-[C:6](-[C:7])=[O:9])=[O:10].[N:3]-[N:4]-[c:5]	3	16794,16801,29649
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[s:7]>>[C:1]-[C:2](=[O:3])-[O:11]-[C:9](-[C:8])=[O:10].[N:4]-[c:5](:[c:6]):[s:7]	3	16834,17059,17078
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:[n:6]:[c:7]:2-[C:8]):[c:9]:[c:10]:1>>[c:1]:1:[n:2]:[n:3]:[c:4](-[N:5]-[N:6]-[C:7](-[C:8])=[O:11]):[c:9]:[c:10]:1	3	17129,50750,54984
+[c:1]-[N:2]>>[c:1]-[N:2]-[C:4]=[O:3]	3	17234,37876,43908
+[C:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[C:1]-[C:2](=[O:3])-[Cl:6].[N:4]-[S:5]	3	17327,17344,29676
+[c:1]:[c:2]:1:[n:3]:[c:4](-[C:5]):[n:7](-[C:6]):[c:8]:1:[c:9]>>[c:1]:[c:2](-[N+:3](=[O:10])-[O-:11]):[c:8](-[N:7](-[C:4](-[C:5])=[O:12])-[C:6]):[c:9]	3	17380,56643,56650
+[C:1]-[C:2](-[C:4](=[C:3]-[N:8])-[C:5](=[O:6])-[O:7])=[O:9]>>[C:1]-[C:2](-[C:4]-[C:5](=[O:6])-[O:7])=[O:9].[C:3](-[N:8])(-[O:11]-[C:10])-[O:12]-[C:13]	3	17469,29650,29652
+[o:1]:[c:2]:1:[c:3]:[c:4](-[O:5]-[C:6]):[n:7]:[c:8]:[n:9]:1>>[O:5]-[C:6].[o:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[n:9]:1)-[Cl:10]	3	17477,19354,52415
+[N:1](=[C:2]-[c:3](:[c:4]):[c:5])-[C:6]>>[N:1](-[C:2]=[O:7])-[C:6].[c:3](:[c:4]):[c:5]	3	17496,26442,56709
+[n:1]:[c:2](-[c:3]:1:[c:4]:[n:5](:[n:6]:[n:7]:1)-[C:9]):[c:8]>>[N:5](=[N+:6]=[N-:7])-[C:9].[n:1]:[c:2](-[C:3]#[C:4]):[c:8]	3	17576,23051,55874
+[C:1]-1-[C:2]-[C:3](=[O:4])-[C:5]-1>>[C:1]-1-[C:2]-[C:3](=[O:4])-[C:5]-1(-[Cl:6])-[Cl:7]	3	17592,35025,52616
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5]-[N:6](-[C:7](-[C:8]-[C:9]-1=[O:10])-[c:11])-[C:12]>>[N:6](=[C:7]-[c:11])-[C:12].[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[O:15]-[C:14]-[C:13])-[C:9](-[C:8])=[O:10]	3	17610,26535,43940
+[C:1]-1=[C:2]-[N:3]-[C:4](=[C:5]-[C:6]-1=[O:7])-[c:8]>>[C:1]-1=[C:2]-[N:3]-[C:4](-[C:5]-[C:6]-1=[O:7])-[c:8]	3	17611,56667,56752
+[C:1]-[C:2]-1-[C:3]-[C:4](=[O:5])-[C:6]-1(-[Cl:7])-[Cl:8]>>[C:1]-[C:2]=[C:3].[C:4](=[O:5])(-[C:6](-[Cl:7])(-[Cl:8])-[Cl:10])-[Cl:9]	3	17615,30961,34831
+[c:1]-[C:2](=[C:3])-[C:4]>>[c:1]-[C:2](-[C:4])=[O:19].[C:3]-[P+:24](-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:23]:3:[c:17]:[c:18]:[c:20]:[c:21]:[c:22]:3	3	17627,28770,36256
+[N:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[N:1]-[C:2](=[O:3])-[O:9]-[C:7](=[C:6])-[C:8]	3	17660,17661,17662
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[N:3]=[C:4](-[C:5])-[N:6]-[O:7].[C:1]-[C:2](=[O:8])-[Cl:9]	3	17694,34830,43989
+[c:1](-[C:2]-[N:3]-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]):[c:11]:[n:12]>>[c:1](-[C:2]#[N:3]):[c:11]:[n:12].[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:20]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]	3	17726,20928,21254
+[N:1]-[S:2](=[O:3])(=[O:4])-[n:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:1>>[n:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:1.[N:1]-[S:2](=[O:3])(=[O:4])-[Cl:10]	3	17728,25746,45527
+[C:1]-[C:2](-[C:3])(-[C:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](-[C:3])(-[C:4])-[Cl:8].[c:5](:[c:6]):[c:7]	3	17746,17747,25874
+[C:1](=[O:2])-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[C:1](=[O:2])-[C:3](=[O:4])-[O:7]	3	17768,36762,37478
+[O:1]-[C:2]-[C:3]=[C:4]>>[O:1](-[C:2]-[C:3]=[C:4])-[Si:9](-[C:6](-[C:5])(-[C:7])-[C:8])(-[C:10])-[C:11]	3	17808,24818,24908
+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[C:7]-[C:8]-1>>[c:1]-[C:2](-[C:8]-[C:7]-[C:5](=[O:6])-[O:10]-[C:9])=[O:11].[N:3]-[N:4]	3	17843,17845,17846
+[n:1]:[c:2]:[c:3](-[C:4](-[N:5])=[O:6]):[c:7]:[n:8]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:6])-[O:9]):[c:7]:[n:8].[N:5]	3	17905,27142,40658
+[c:1](:[n+:2](-[O-:3]):[c:4]:[n:5]):[c:6]>>[c:1](:[n:2]:[c:4]:[n:5]):[c:6].[O:3]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1	3	17910,36595,36716
+[c:1]:[c:2](:[n:3])-[N:5]>>[c:1]:[c:2](:[n:3])-[N:5]-[C:7](-[C:4])(-[C:6])-[C:8]	3	17913,17914,17915
+[O:1]-[C:2]-[C:3](-[O:4])-[C:5]>>[C:2]=[C:3]-[C:5].[O:4]-[C:7](-[C:6])(-[C:8])-[C:9].[O:1]	3	17918,17939,17940
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8]>>[C:1]-[C:2](=[O:3])-[O:9].[O:4]-[C:5](-[C:6])(-[C:7])-[C:8]	3	17919,17990,17991
+[c:1](:[c:2]-[C:3](=[O:4])-[O:6]):[n:5]>>[c:1](:[c:2]-[C:3]=[O:4]):[n:5].[O:6]-[C:8](-[C:7])(-[C:9])-[C:10]	3	17925,17965,17985
+[c:1]-[C:2]-[C:4](=[O:3])-[O:5]>>[c:1]-[C:2](-[C:4](=[O:3])-[O:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	3	17994,17995,18054
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7]	3	18043,18622,21649
+[C:1](-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7])-[C:8](=[O:9])-[O:10]>>[C:1](-[N:2])-[C:8](=[O:9])-[O:10].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:11]	3	18244,30751,36896
+[c:1]:[c:2](:[c:3])-[I:4]>>[c:1]:[c:2](:[c:3])-[Br:5].[I:4]	3	18265,40455,40461
+[n:1]:[c:2](-[C:3]-1=[N:4]-[C:5](=[O:6])-[c:7]:[c:8]-[S:9]-1):[c:10]>>[n:1]:[c:2](-[C:3]#[N:4]):[c:10].[C:5](=[O:6])(-[c:7]:[c:8]-[S:9])-[O:12]-[C:11]	3	18276,21688,43222
+[C:1]-[C:2]=[N:3]-[C:4]-[C:5](=[O:6])-[O:7]>>[N:3]-[C:4]-[C:5](=[O:6])-[O:7].[C:1]-[C:2]=[O:8]	3	18281,18282,18283
+[C:1]-[N:2]>>[C:1]-[N:2]-[C:4](=[O:3])-[O:5]-[C:6]-[C:7]-1-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]-1:3	3	18316,49861,49864
+[C:1]-[N:2]-[c:3](:[n:4]):[s:5]>>[C:1]-[N:2](-[c:3](:[n:4]):[s:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	3	18374,18377,18379
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2]-[O:5].[C:3]#[N:4]	3	18381,41040,41126
+[c:1]:[c:5]:1:[n:4](:[c:3]:[c:2]):[c:8](:[c:7]:[n:6]:1)-[Cl:9]>>[c:1]:[c:5]:1:[n:4](:[c:3]:[c:2]):[c:8]:[c:7]:[n:6]:1.[Cl:9]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15]	3	18433,44362,44388
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]-[O:4].[O-:3]-[I+3:6](-[O-:5])(-[O-:7])-[O:8]	3	18477,37523,44838
+[C:1]-[O:2]-[C:3](-[c:4])-[C:5]>>[C:1]-[O:2].[C:3](-[c:4])(-[C:5])-[O:6]	3	18492,21892,30484
+[C:1](-[C:2])=[O:3]>>[C:1](-[C:2])=[C:4].[O+:3](=[O:5])-[O-:6]	3	18505,40099,48104
+[c:1]:[c:2](-[N:3]-[C:4]):[n:5]>>[c:1]:[c:2](-[N:3](-[C:4])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]):[n:5]	3	18535,21848,21861
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-[C:10]-[O:11]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-1-[C:9]-[C:10]-[O:11]-[C:13]-1(-[C:12])-[C:14]	3	18565,21978,22009
+[n:1]:[c:2]:1:[c:3](-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[c:9]:[n:10]:[n:11]:1>>[N:6](-[C:7])-[C:8].[n:1]:[c:2]:1:[c:3](-[C:4](=[O:5])-[O:12]):[c:9]:[n:10]:[n:11]:1	3	18712,31976,39864
+[c:1]:[c:3](:[n:2]):[c:4](-[C:5]#[N:6]):[c:7]>>[c:1]:[c:3](:[n:2]):[c:4](:[c:7])-[Br:8].[C:5]#[N:6]	3	18735,37709,41076
+[C:1]-[C:2](-[N:3]=[N+:6]=[N-:5])-[C:4]>>[C:1]-[C:2](-[C:4])-[O:15]-[S:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[C:7]):[c:17]:[c:16]:1)(=[O:13])=[O:14].[N-:3]=[N+:6]=[N-:5]	3	18856,28688,48020
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:11]-[C:9](-[C:8]-[C:7])=[O:10]	3	18906,41681,44048
+[N:1]-[C:2](=[O:3])-[c:4](:[c:5]:[n:6]):[n:7]>>[N:1]#[C:2]-[c:4](:[c:5]:[n:6]):[n:7].[O:3]	3	18910,24308,43007
+[C:1](=[O:2])(-[c:3]:1:[n:4]:[n:5]:[c:6](:[c:7]:1-[C:8])-[C:9])-[O:10]>>[C:1](=[O:2])(-[C:3](-[C:7](-[C:6](-[C:9])=[O:12])-[C:8])=[O:11])-[O:10].[N:4]-[N:5]	3	18926,19415,42158
+[C:1]-[C:2]>>[C:1]-[C:2]#[N:3]	3	18931,18987,39580
+[c:1]:[c:10]:[n:9]:[c:3](:[c:2])-[N:4]-[c:5](:[n:6]):[c:8]:[n:7]>>[c:1]:[c:10]:[n:9]:[c:3](:[c:2])-[Br:11].[N:4]-[c:5](:[n:6]):[c:8]:[n:7]	3	19094,22612,54385
+[c:1]-[C:2]-[N:3](-[c:4])-[C:5]>>[N:3](-[c:4])-[C:5].[c:1]-[C:2]-[Cl:6]	3	19151,36497,38612
+[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1-[c:7](:[c:8]):[c:9]>>[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1.[c:7](:[c:8])(:[c:9])-[I:10]	3	19261,34538,50302
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1):[c:10]>>[n:1]:[c:2]:[c:3](:[c:10])-[B:19]-1-[O:18]-[C:16](-[C:11](-[C:12])(-[C:13])-[O:20]-1)(-[C:15])-[C:17].[c:4]:1(:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:14]	3	19309,28502,29277
+[C:1]-[C:2](-[N:3])=[O:4]>>[N:3](-[C:5])(-[C:6])-[C:7]=[O:8].[C:1]-[C:2](=[O:4])-[O:9]	3	19389,32079,32213
+[c:1]:1:[c:2]:[n:3](-[C:4]-[C:5]-[O:6]):[n:7]:[c:8]:1>>[C:4]-1-[C:5]-[O:6]-1.[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1	3	19401,28799,28802
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[c:6]:[c:8](:[n:7]):[c:9]:1>>[N:4]-[C:5].[c:1]:1:[n:2]:[c:3](:[c:6]:[c:8](:[n:7]):[c:9]:1)-[Cl:10]	3	19426,41856,51262
+[O:1]=[C:2](-[N:3])-[N:4](-[c:5](:[c:6]):[n:7])-[C:8]>>[N:4](-[c:5](:[c:6]):[n:7])-[C:8].[O:1]=[C:2](-[N:3])-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:9]:[c:15]:1	3	19458,38692,43217
+[n:1]:[c:2]:[c:3]:[c:4](-[N:5]-1-[C:6]=[C:7]-[C:8](-[c:9])=[C:10]-[C:11]-1=[O:12]):[c:13]>>[n:1]:[c:2]:[c:3]:[c:4](:[c:13])-[Br:14].[n:5]:1:[c:6]:[c:7]:[c:8](-[c:9]):[c:10]:[c:11]:1-[O:12]	3	19762,23137,23141
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[o:8]:1>>[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[O:8].[C:1]-[C:2](-[O:10]-[C:9])(-[O:11]-[C:12])-[O:13]-[C:14]	3	19763,23097,43117
+[c:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-1=[O:7]>>[c:1]-[N:2]-[C:6](-[C:5]-[C:4]-[C:3]-[Cl:8])=[O:7]	3	19860,49094,53805
+[C:1]-[C:2](=[N:3]-[c:4])-[N:7](-[C:5]=[O:6])-[c:8]>>[C:1]-[C:2](-[N:3]-[c:4])=[O:9].[C:5](=[O:6])-[N:7]-[c:8]	3	19899,23315,49552
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-1-[C:9]-[C:10]-[O:11]-[C:12]-1(-[C:13])-[C:14]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-[C:10]-[O:11].[C:12](-[C:13])(-[C:14])(-[O:16]-[C:15])-[O:17]-[C:18]	3	20012,20013,23408
+[c:1](:[n:2]):[c:4]-1:[c:3]-[C:8]-[N:7]-[C:5]-1=[O:6]>>[c:1](:[n:2]):[c:4](:[c:3]-[C:8]#[N:7])-[C:5](=[O:6])-[O:10]-[C:9]	3	20180,20181,41351
+[C:1]-[C:3](-[C:2])(-[C:4])-[O:5]>>[C:1]-[C:3](-[C:2])=[O:5].[C:4]-[Li:6]	3	20263,23519,47551
+[C:1]=[C:2]-[C:3]>>[C:2](-[C:3])=[O:4].[C:1]-[P+:9](-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:23]:[c:22]:1)(-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2)-[c:16]:3:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:3	3	20264,24729,56341
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[c:6]:1:[n:7]:[c:8]:[n:9]:[c:10]:[c:11]:1>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[c:6]:1(:[n:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Cl:12]	3	20280,22178,23572
+[C:1]-[C:2]-[N:3](-[C:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]>>[C:1]-[C:2]-[I:12].[N:3](-[C:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]	3	20285,23828,30039
+[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5]-[N:6]=[C:7]-1-[N:8](-[C:9])-[C:10]>>[N:8](-[C:9])-[C:10].[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5]-[N:6]=[C:7]-1-[Cl:11]	3	20315,54069,55613
+[C:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[C:1]-[N:2].[S:3](-[C:4])(=[O:5])(=[O:6])-[O:11]-[S:8](-[C:7])(=[O:9])=[O:10]	3	20380,45242,45243
+[c:1]-[O:2]-[C:3]-[C:4](-[N:5])=[O:6]>>[c:1]-[O:2].[C:3](-[C:4](-[N:5])=[O:6])-[I:7]	3	20432,23815,44091
+[S:1]=[C:2](-[N:3]-[C:4])-[N:5]>>[N:3]-[C:4].[S:1]=[C:2]=[N:5]-[C:7](=[O:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	3	20500,49791,51944
+[c:1]-[N:2]-1-[N:3]-[C:4](-[c:5])=[N:6]-[C:7]-1=[O:8]>>[c:1]-[N:2]-[N:3]-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15].[C:4](-[c:5])(-[N:6]=[C:7]=[O:8])=[O:16]	3	20636,20637,20639
+[n:1]:[c:2]:[c:3](-[N:4]):[s:5]>>[n:1]:[c:2]:[c:3](-[N:4]-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]):[s:5]	3	20647,20870,24231
+[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[N:6]>>[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[N:6]-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	3	20691,24033,24205
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[s:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]):[s:7].[N:5]-[c:6]	3	20692,28379,53325
+[N:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[n:6]:[c:7]:[n:8]:[c:9]:2):[s:10]:1>>[N:1]#[C:2]-[S:10]-[c:5]:1:[c:4](-[N+:3](=[O:11])-[O-:12]):[c:9]:[n:8]:[c:7]:[n:6]:1	3	20715,24053,26133
+[c:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[C:3]-[I:11].[c:1]-[N:2]-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]	3	20727,20752,20789
+[N:1]-[c:2](:[c:3]):[s:4]>>[N:1](-[c:2](:[c:3]):[s:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]	3	20755,20866,24230
+[n:1]:[c:2]:[c:3](-[C:4]-[Cl:6]):[s:5]>>[n:1]:[c:2]:[c:3](-[C:4]-[O:9]):[s:5].[Cl:6]-[C:8]-[Cl:7]	3	20848,35069,35089
+[s:1]:[c:2](-[N:3]-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]):[n:11]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:18]-[C:16](-[O:15]-[C:12](-[C:13])(-[C:14])-[C:19])=[O:17].[s:1]:[c:2](-[N:3]):[n:11]	3	20929,21033,21034
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]=[C:9]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:17]-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[N:8]=[C:9]	3	21022,21181,21293
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	3	21423,21435,24342
+[n:1]:[c:3](:[n:2])-[C:4]-[O:5]-[c:6]>>[O:5]-[c:6].[n:1]:[c:3](:[n:2])-[C:4]-[Cl:7]	3	21483,50494,57120
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:7]-[C:6]=[C:5]	3	21507,52541,54242
+[C:1]-[C:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-[C:7]-1>>[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:[c:7]:1	3	21622,22089,56209
+[C:1]-[C:2]-[N:3](-[C:4])-[S:5]>>[N:3](-[C:4])-[S:5].[C:1]-[C:2]-[I:6]	3	21634,28574,29884
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2](-[O:4])=[O:5].[N:3]	3	21683,40806,40877
+[C:1](#[C:2]-[c:3](:[c:4]):[c:5])-[Si:7](-[C:6])(-[C:8])-[C:9]>>[C:1](#[C:2])-[Si:7](-[C:6])(-[C:8])-[C:9].[c:3](:[c:4])(:[c:5])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17]	3	21698,25478,33663
+[C:1]-[O:2]-[c:3]:[c:5]:[n:4]>>[C:1]-[O:6].[O:2]-[c:3]:[c:5]:[n:4]	3	21785,32869,32930
+[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]):[n:7]:2:[c:8]:[n:9]:[n:10]:[c:11]:1:2):[n:6]>>[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]):[n:7]:[c:11]:1-[N:10]-[N:9]):[n:6].[C:8](-[O:13]-[C:12])(-[O:14]-[C:15])-[O:16]-[C:17]	3	21860,23680,36949
+[c:1]:1:[n:2]:[c:3]-2:[c:4](:[c:5]:[c:6]:1)-[C:7]-[C:8]-[C:9]-[N:10]-2>>[c:1]:1:[n:2]:[c:3]:2:[c:4](:[c:5]:[c:6]:1):[c:7]:[c:8]:[c:9]:[n:10]:2	3	21884,23218,30960
+[C:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[n:7]>>[C:1]-[C:2]-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12].[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[n:7]	3	21906,40060,45224
+[C:1](-[c:2](:[c:3]):[n:4])(=[O:5])-[O:6]>>[C:1](-[c:2](:[c:3]):[n:4])#[N:8].[O:6]-[C:7].[O:5]	3	21969,32839,32841
+[n:1]:[c:2]:[c:3]-[C:4]-[C:5]-[c:6]>>[n:1]:[c:2]:[c:3]-[C:4]#[C:5]-[c:6]	3	22004,25136,50160
+[C:1]-[C:2](=[O:3])-[C:4]>>[C:2](=[O:3])(-[C:4])-[N:8](-[O:7]-[C:6])-[C:9].[C:1]-[Mg:5]-[Cl:10]	3	22128,33635,33639
+[C:1]-[C:2]-[F:3]>>[C:1]-[C:2]-[O:8]-[S:5](-[C:4])(=[O:6])=[O:7].[F:3]	3	22153,37097,37105
+[c:1]:[c:2](-[C:3](-[C:4])-[C:5]):[c:6]>>[C:3](-[C:4])(-[C:5])-[I:7].[c:1]:[c:2](:[c:6])-[I:8]	3	22170,22171,22172
+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[C:7]-[N:8]-1>>[C:1]-[C:2](-[N:8]-[C:7]-[C:5](=[O:6])-[O:11]-[C:10]-[C:9])=[S:12].[N:3]-[N:4]	3	22205,42152,42153
+[C:1]-[N:2]-[C:4](=[O:3])-[O:5]>>[C:1]-[N:2].[O:3]=[C:4](-[O:5])-[O:12]-[N:11]-1-[C:6](-[C:7]-[C:8]-[C:9]-1=[O:10])=[O:13]	3	22230,23387,44451
+[n:1]:[c:3](:[c:2])-[C:4](-[N:5])=[O:6]>>[n:1]:[c:3](:[c:2])-[C:4]#[N:5].[O:6]	3	22249,34731,41392
+[C:1]-[C:2]>>[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]	3	22349,22478,57027
+[c:1]:[c:2](-[S:3]-[C:4]-[c:5](:[c:6]:[s:7]):[n:8]):[n:9]>>[c:1]:[c:2](-[S:3]):[n:9].[C:4](-[c:5](:[c:6]:[s:7]):[n:8])-[Cl:10]	3	22735,53123,54511
+[n:1]:[c:2](-[C:3](-[N:4])=[N:5]-[N:6]):[c:7]>>[n:1]:[c:2](-[C:3]#[N:4]):[c:7].[N:5]-[N:6]	3	22760,22761,22762
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:8]:1-[N:7]-[N:6]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:8]:1-[Cl:9].[N:6]-[N:7]	3	22946,42189,42237
+[C:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1>>[C:1]-[C:2]-[O:16]-[S:13](-[c:12]:1:[c:11]:[c:10]:[c:9](-[C:8]):[c:18]:[c:17]:1)(=[O:14])=[O:15].[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1	3	22985,27814,48696
+[c:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[C:6]):[n:7]:1>>[c:1]-[C:2](-[C:3]-[N:7]-[C:5](-[C:6])=[O:8])=[O:9].[N:4]	3	23128,38974,40935
+[c:1]:[c:2](-[C:3]-[O:5]):[s:4]>>[c:1]:[c:2](-[C:3](=[O:5])-[O:8]-[C:7]-[C:6]):[s:4]	3	23145,30256,31128
+[n:1]:1:[c:2](-[C:3]#[N:4]):[c:5]:[c:6]:[c:7]:1>>[n:1]:1:[c:2]:[c:5]:[c:6]:[c:7]:1.[C:3](=[N:4]-[S:9](=[O:8])(=[O:10])-[Cl:11])=[O:12]	3	23154,45621,45625
+[s:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6](-[N:7]-[c:8]):[c:9]:1>>[s:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6](:[c:9]:1)-[Cl:10].[N:7]-[c:8]	3	23160,32442,41386
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2]-[O:11].[Cl:3]-[N:10]-1-[C:5](=[O:4])-[C:6]-[C:7]-[C:8]-1=[O:9]	3	23182,38602,44377
+[c:1]:[c:2](-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]):[c:9]>>[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8].[c:1]:[c:2](:[c:9])-[B:11](-[O:10])-[O:12]	3	23224,27812,46013
+[C:1]=[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:6].[C:1]=[C:2]-[B:11]-1-[O:10]-[C:8](-[C:7])(-[C:9])-[C:13](-[O:12]-1)(-[C:14])-[C:15]	3	23243,28939,28940
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[C:6]=[C:7]-[c:8](:[c:9]):[c:11]-1:[c:10]>>[C:1]-[C:2]-[O:16]-[S:13](-[C:12])(=[O:14])=[O:15].[n:3]:1:[c:4](-[O:5]):[c:6]:[c:7]:[c:8](:[c:9]):[c:11]:1:[c:10]	3	23538,23539,45223
+[c:1]:[c:2](-[N:3]-[C:4]):[c:5]:[n:6]>>[N:3]-[C:4].[c:1]:[c:2](:[c:5]:[n:6])-[F:7]	3	23553,41328,56355
+[C:1]-[C:2](=[O:3])-[O:4]-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:4].[c:5](:[c:6])(:[c:7])-[O:8]	3	23712,35880,52531
+[C:1]-[C:2](=[O:3])-[C:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[N:10](-[O:9]-[C:8])-[C:11].[C:4](-[C:5])-[Mg:7]-[Br:6]	3	23771,31265,47591
+[C:1]-[S:2](=[O:3])(=[O:4])-[C:5]>>[C:1]-[S:2](=[O:4])-[C:5].[O:3]=[C:8](-[O:7]-[O:6])-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13](-[Cl:14]):[c:15]:1	3	23793,36534,36602
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[n:5]:[c:6]:[n:7](-[c:8]):[c:9]:2:[n:10]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5]):[c:9](-[N:7]-[c:8]):[n:10]:1.[C:6](-[O:12]-[C:11])(-[O:13]-[C:14])-[O:15]-[C:16]	3	23867,38890,43208
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:1]-[N:2]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7].[C:3](-[O:11]-[C:10]-[C:9])(-[O:12]-[C:13]-[C:14])-[O:15]-[C:16]-[C:17]	3	23917,31053,31054
+[C:1](-[c:2])(-[c:3])=[C:4]>>[C:1](-[c:2])(-[c:3])(-[C:4])-[O:5]	3	24158,25337,52648
+[n:1]:[c:2]:[c:3](-[N:4]):[n:5]>>[n:1]:[c:2]:[c:3](-[N:4]-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]):[n:5]	3	24201,24203,24222
+[C:1]=[N:2]>>[C:1]=[N:2]-[S:7](-[C:4](-[C:3])(-[C:5])-[C:6])=[O:8]	3	24421,24422,24433
+[n:1]:[c:2]:[c:3]-[O:4]-[Si:6](-[C:5])(-[C:7])-[C:8]>>[C:5]-[Si:6](-[C:7])(-[C:8])-[Cl:9].[n:1]:[c:2]:[c:3]-[O:4]	3	24529,24558,24585
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](=[O:3])-[N:16]-1-[C:5](=[O:4])-[O:6]-[C:7]-[C:8]-1-[C:9]-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2	3	24667,37794,52253
+[C:1]-[O:2]-[C:3]-[c:4](:[n:5]):[n:6]>>[C:1]-[O:2]-[Si:7](-[C:8])(-[C:9])-[C:12](-[C:11])(-[C:13])-[C:14].[C:3](-[c:4](:[n:5]):[n:6])-[Cl:10]	3	24674,24825,24831
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[c:9](:[c:8]):[n:10]):[n:11]>>[N:6](-[C:7])-[c:9](:[c:8]):[n:10].[c:1]:[c:2](-[N:3]):[n:11].[C:4](=[O:5])(-[n:15]:1:[c:14]:[n:13]:[c:12]:[n:21]:1)-[n:16]:2:[c:17]:[n:18]:[c:19]:[n:20]:2	3	24709,33232,33243
+[O:1]-[N:2]-[C:3]-[C:4]=[C:5]>>[O:1]-[N:2](-[C:3]-[C:4]=[C:5])-[S:15](-[c:14]:1:[c:9](-[N+:7](=[O:6])-[O-:8]):[c:10]:[c:11]:[c:12]:[c:13]:1)(=[O:16])=[O:17]	3	24872,45956,46210
+[c:1]:[c:2]:1:[c:3](-[O:4]):[n:5]:[c:6](-[c:7](:[c:8]):[n:9]):[n:10]:[c:11]:1:[c:12]>>[C:6](-[c:7](:[c:8]):[n:9])=[O:13].[c:1]:[c:2](-[C:3](=[O:4])-[N:5]):[c:11](-[N:10]):[c:12]	3	25049,41975,41977
+[c:1]-[C:2]=[C:3]>>[c:1]-[C:2]=[O:22].[C:3]-[P+:7](-[c:6]:1:[c:5]:[c:4]:[c:23]:[c:21]:[c:20]:1)(-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3	3	25185,39943,56661
+[c:1]:1:[n:2]:[n:3]:2:[c:4]:[c:5](-[c:6](:[c:7]):[o:8]):[n:9]:[c:10]:2:[s:11]:1>>[C:4](-[C:5](-[c:6](:[c:7]):[o:8])=[O:12])-[Br:13].[c:1]:1:[n:2]:[n:3]:[c:10](-[N:9]):[s:11]:1	3	25214,42854,42856
+[c:1]:1:[c:2]:[c:3](-[I:4]):[n:5]:[n:6]:1>>[c:1]:1:[c:2]:[c:3]:[n:5]:[n:6]:1.[I:4]-[N:7]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	3	25234,44401,44419
+[C:1]-[O:2]-[c:3]:1:[n:4]:[n:5]:[c:6]:[s:7]:1>>[C:1]-[O:2].[c:3]:1(:[n:4]:[n:5]:[c:6]:[s:7]:1)-[Br:8]	3	25244,33176,33177
+[C:1]-[O:2]-[C:3]>>[O:2]-[C:3].[C:1]-[O:4]	3	25347,33000,33159
+[c:1]:[c:3](:[c:2])-[S:4]-[C:5]>>[S:4](-[C:5])-[S:8]-[C:7].[c:1]:[c:3](:[c:2])-[N:6]	3	25394,33625,33628
+[N:1]-1-[C:2]=[C:3](-[c:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2)-[C:10]=[C:11](-[N:12])-[C:13]-1>>[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:23].[N:1]-1-[C:2]=[C:3](-[C:10]=[C:11](-[N:12])-[C:13]-1)-[B:18]-2-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-2)(-[C:21])-[C:22]	3	25507,25508,28288
+[c:1]:[c:2](-[S:3]-[C:4]#[N:5]):[c:6]>>[c:1]:[c:2]:[c:6].[S:3]-[C:4]#[N:5]	3	25533,34429,47476
+[c:1]-1:[c:2]-[O:3]-[C:4](-[N:5]-1)=[S:6]>>[c:1](:[c:2]-[O:3])-[N:5].[C:4](=[S:6])(-[O:9]-[C:8]-[C:7])-[S:10]	3	25538,47486,47487
+[s:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[s:1]:[c:2]:[c:3]-[C:4]-[O:5]	3	25550,41342,48562
+[C:1]-[C:2](=[C:3])-[C:4]-[O:5]>>[C:1]-[C:2](=[C:3])-[C:4]=[O:5]	3	25587,36328,54083
+[C:1](-[N:2]-[C:3])-[C:4]-[O:5]>>[C:1]-1-[N:2](-[C:3])-[C:7](-[O:5]-[C:4]-1)=[O:6]	3	25678,36771,41599
+[C:1]-[C:5](-[C:3](-[N:2])=[O:4])=[C:6]-[N:7]>>[C:1]-[C:5](-[C:3](-[N:2])=[O:4])=[C:6]-[N:9](-[C:8])-[C:10].[N:7]	3	25682,31994,40827
+[C:1]-[C:2]-[C:3](-[C:4](=[O:5])-[O:6])-[c:7](:[c:8]:[n:9]):[c:11]:[n:10]>>[C:1]-[C:2]-[I:12].[C:3](-[C:4](=[O:5])-[O:6])-[c:7](:[c:8]:[n:9]):[c:11]:[n:10]	3	25761,29946,29962
+[c:1]:[c:3](:[n:2])-[N:4]-[S:5](=[O:6])(=[O:7])-[c:8](:[c:9]):[s:10]>>[S:5](=[O:6])(=[O:7])(-[c:8](:[c:9]):[s:10])-[Cl:11].[c:1]:[c:3](:[n:2])-[N:4]	3	25781,45474,45522
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[n:7]>>[N:4]-[c:5](:[n:6]):[n:7].[c:1]-[C:2](=[O:3])-[Cl:8]	3	25796,27837,27975
+[n:1]:[c:2](-[C:3]-[N:4]):[c:5]>>[n:1]:[c:2](-[C:3]=[N:4]-[O:6]):[c:5]	3	25804,26883,50222
+[C:1]-[C:2]-1-[O:3]-[C:4]-[C:5]-[O:6]-1>>[C:1]-[C:2]=[O:3].[C:4](-[C:5]-[O:6])-[O:7]	3	25832,46965,46979
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[C:10]-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:1	3	25909,52189,56412
+[c:1]:1:[c:2](-[C:3](-[c:4])-[C:5]-2=[C:6](-[O:7])-[C:8]-[C:9]-2=[O:10]):[n:11]:[c:12](:[c:13]):[c:14]:1>>[c:1]:1:[c:2]:[n:11]:[c:12](:[c:13]):[c:14]:1.[C:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-1=[O:10].[C:3](-[c:4])=[O:15]	3	25953,44314,44315
+[n:1]:[c:2](-[C:3]-[N:4](-[C:7]=[O:6])-[C:8]=[O:9]):[n:5]>>[n:1]:[c:2](-[C:3]-[Cl:10]):[n:5].[N:4](-[C:7]=[O:6])-[C:8]=[O:9]	3	25970,25974,55193
+[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n+:7]:[c:8]:1-[N:9]):[n:10]>>[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n+:7]:[c:8]:1):[n:10].[N:9](=[C:12]=[O:11])-[C:13](=[O:14])-[C:15](-[Cl:16])(-[Cl:17])-[Cl:18]	3	25977,34837,34838
+[C:1]-[N:2]>>[C:1]-[N:2]-[C:4](=[O:3])-[C:5]-[Cl:6]	3	26025,34926,53905
+[C:1](-[N:2]-[c:3])=[O:4]>>[N:2]-[c:3].[C:1](-[O:4])=[O:5]	3	26156,46915,46921
+[C:1]-[C:2](-[C:3])=[C:4]-[C:5]-[O:6]-[c:7]>>[C:1]-[C:2](-[C:3])=[C:4]-[C:5]-[Br:8].[O:6]-[c:7]	3	26258,26575,27910
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[n:8]:[n:9]:1>>[C:1]-[C:2](-[C:3]-[C:4](-[C:5](=[O:6])-[O:7])=[O:10])=[O:11].[N:8]-[N:9]	3	26271,42268,42310
+[c:1]:[c:2](-[O:3]-[N:4]=[C:5]):[c:6]>>[O:3]-[N:4]=[C:5].[c:1]:[c:2](:[c:6])-[F:7]	3	26289,26290,32275
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]-[O:4].[O:3]=[C:6](-[C:5])-[C:7]	3	26293,26303,26330
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]):[n:6]>>[O:5]=[C:8](-[C:7])-[C:9].[c:1]:[c:2](-[C:3](=[O:4])-[C:11](-[Cl:10])(-[Cl:12])-[Cl:13]):[n:6]	3	26300,26301,26302
+[C:1]-[C:2]-1(-[C:3])-[O:4]-[c:5](:[c:6]-[O:8]-1):[c:7]>>[C:1]-[C:2](-[C:3])=[O:4].[c:5](:[c:6]-[O:8])(:[c:7])-[O:9]	3	26319,26322,29635
+[c:1]-[C:2]-1-[N:3]-[c:4]:[c:6](:[c:5])-[C:7](-[C:8]-1(-[C:9])-[C:10])-[O:11]>>[C:7](-[C:8](-[C:9])-[C:10])=[O:11].[c:1]-[C:2]=[N:3]-[c:4]:[c:6]:[c:5]	3	26557,26558,26559
+[C:1](-[C:2]-[N:3]-[C:4](-[c:5])=[O:6])=[O:7]>>[C:1](-[C:2]-[N:3])=[O:7].[C:4](-[c:5])(=[O:6])-[Cl:8]	3	26578,36728,53594
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[N:2].[C:3](-[O:4])(-[c:5]:[c:6]:[n:7])=[O:8]	3	26743,49690,51873
+[c:1]-[C:7]=[C:3](-[C:2])-[C:4](=[O:5])-[O:6]>>[c:1]-[C:7]=[O:8].[C:2]-[C:3]-[C:4](=[O:5])-[O:6]	3	26759,44049,44775
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5]-[c:6]>>[C:1]-[N:2]=[C:3]=[S:4].[N:5]-[c:6]	3	26787,32553,37882
+[C:1](-[C:2]-[C:3])(-[c:4](:[n:5]):[c:6])-[O:7]>>[C:2](-[C:3])-[Mg:9]-[Br:8].[C:1](-[c:4](:[n:5]):[c:6])=[O:7]	3	26868,31283,31287
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5](:[n:6]:[c:7]:1:[c:8])-[O:10]>>[c:1]:[c:2]:1-[C:3]=[C:4]-[C:5](-[N+:6](-[c:7]:1:[c:8])-[O-:9])=[O:10]	3	26876,38033,49281
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](-[O:8]-[C:9]):[n:10]:1>>[O:8]-[C:9].[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[n:10]:1)-[Cl:12])-[Cl:11]	3	26885,32709,32710
+[N:1](-[C:2]-[c:3](:[n:4]):[n:5])=[N+:7]=[N-:6]>>[C:2](-[c:3](:[n:4]):[n:5])-[Cl:8].[N-:1]=[N+:7]=[N-:6]	3	26899,47956,48058
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1>>[c:1]:1:[n+:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[O-:7]	3	27005,48109,48358
+[c:1]:1(:[n+:2]:[c:3]:[c:4]:[n:5]:[c:6]:1)-[Cl:7]>>[c:1]:1:[n+:2]:[c:3]:[c:4]:[n:5]:[c:6]:1.[Cl:7]-[P:9](=[O:8])(-[Cl:10])-[Cl:11]	3	27031,35263,35310
+[O:1]-[C:2](=[O:3])-[C:4](-[F:5])=[C:6](-[C:7])-[c:8]>>[C:6](-[C:7])(-[c:8])=[O:17].[O:1]-[C:2](=[O:3])-[C:4](-[F:5])-[P:12](-[O:11]-[C:10]-[C:9])(=[O:13])-[O:14]-[C:15]-[C:16]	3	27061,28623,29486
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[I:6]>>[c:1](:[n:2]):[c:5]:[c:4]:[n:3].[I:6]-[Cl:7]	3	27145,35165,35170
+[c:1]:1:[c:2](-[N:3]-[C:4](=[O:5])-[O:6]-[C:7]):[n:8]:[n:9]:[n:10]:1>>[O:6]-[C:7].[c:1]:1:[c:2](-[C:4](=[O:5])-[O:11]):[n:8]:[n:9]:[n:10]:1.[N:3](=[N+:13]=[N-:12])-[P:14](=[O:15])(-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2	3	27175,34283,52040
+[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:6]):[c:7]:[c:8](-[C:9]#[N:10]):[c:11](:[n:12]:1)-[O:13]>>[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:6])=[C:7]-[N:15](-[C:14])-[C:16])=[O:17].[C:8](-[C:9]#[N:10])-[C:11](-[N:12])=[O:13]	3	27242,31983,31986
+[c:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[N:4]-[S:5].[c:1]-[C:2](=[O:3])-[Cl:6]	3	27455,45560,53135
+[C:1](-[c:2])=[O:3]>>[C:1]-1(-[c:2])-[O:3]-[C:7]-[C:4]-[C:5]-[O:6]-1	3	27469,56155,56805
+[c:1]-[C:2](-[C:3](-[C:4])-[C:5])=[C:6]-[C:7]>>[C:3](-[C:4])(-[C:5])-[Mg:9]-[Cl:8].[c:1]-[C:2](-[C:6]-[C:7])=[O:10]	3	27492,27493,27494
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5](=[O:6])-[O:7])-[C:8]>>[C:1]-[C:2](=[O:3])-[O:9].[N:4](-[C:5](=[O:6])-[O:7])-[C:8]	3	27522,54021,54540
+[c:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[c:6]):[c:7]:[o:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:7]:[o:8]:1.[C:4](=[O:5])(-[c:6])-[O:9]	3	27705,27706,27707
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:10](-[C:9])(=[O:11])=[O:12]	3	27809,45318,52928
+[c:1](-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1):[c:7]:[n:8]>>[c:1](-[C:2]#[N:3]):[c:7]:[n:8].[N-:4]=[N+:5]=[N-:6]	3	27832,47938,48029
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[s:9]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:10].[N:6]-[c:7](:[n:8]):[s:9]	3	27860,27879,39601
+[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1-[C:7](=[O:8])-[C:9]>>[C:7](=[O:8])(-[C:9])-[Cl:10].[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1	3	27908,30230,44038
+[c:1]:1:[c:2](-[N:3]-[C:4](=[O:5])-[O:6]-[C:7]):[c:8]:[n:9]:[o:10]:1>>[O:6]-[C:7].[c:1]:1:[c:2](-[C:4](=[O:5])-[O:11]):[c:8]:[n:9]:[o:10]:1.[N:3](=[N+:13]=[N-:12])-[P:14](=[O:15])(-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2	3	27938,27939,27943
+[n:1]:[c:2](:[c:3](:[c:4])-[B:7](-[O:6])-[O:8]):[c:5]>>[n:1]:[c:2](:[c:3](:[c:4])-[Br:9]):[c:5].[O:6]-[B:7](-[O:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	3	28011,28023,28273
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-1-[B:5](-[O:6]-[C:10](-[C:7]-1(-[C:8])-[C:9])(-[C:11])-[C:12])-[B:22]-2-[O:13]-[C:14](-[C:15])(-[C:16])-[C:19](-[C:18])(-[C:20])-[O:21]-2.[c:1]:[c:2](:[c:3])-[Br:17]	3	28209,28211,28212
+[n:1]:[n:2]:1:[c:3](-[c:4](:[c:5]):[c:7]:[n:6]):[c:8]:[n:9]:[c:10]:1>>[c:4](:[c:5])(:[c:7]:[n:6])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[n:1]:[n:2]:1:[c:3](:[c:8]:[n:9]:[c:10]:1)-[I:20]	3	28352,28503,29070
+[c:1]-[N:2]-[C:3](=[O:4])-[O:7]-[C:6]=[C:5]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:7]-[C:6]=[C:5])-[Cl:8]	3	28366,34719,43051
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1):[c:8]:[n:9]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[n:7]:1)-[Br:10].[c:1]:[c:2](:[c:8]:[n:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	3	28376,28453,28478
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[B:19]-1-[O:18]-[C:16](-[C:15])(-[C:17])-[C:21](-[O:20]-1)(-[C:22])-[C:23].[C:3](=[C:4]-[C:5])(-[C:6])-[O:10]-[S:8](=[O:9])(-[C:11](-[F:12])(-[F:13])-[F:14])=[O:24]	3	28381,28382,29161
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[c:7]:1:[c:8]:[n:9]):[c:10]>>[c:1]:[c:2](:[c:10])-[B:14]-1-[O:13]-[C:11](-[C:12])(-[C:16](-[O:15]-1)(-[C:17])-[C:18])-[C:27].[c:3]:1(:[n:4]:[n:5]:[c:6]:[c:7]:1:[c:8]:[n:9])-[O:22]-[S:20](=[O:19])(=[O:21])-[C:23](-[F:24])(-[F:25])-[F:26]	3	28386,29163,29207
+[n:1]:[c:2]:[c:3](-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]):[c:9]>>[n:1]:[c:2]:[c:3](:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[O:22]-[S:20](=[O:19])(=[O:21])-[C:23](-[F:24])(-[F:25])-[F:26]	3	28392,28954,28955
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[c:6](:[c:7]:[n:8]):[c:9]>>[c:6](:[c:7]:[n:8])(:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[O:22]-[S:20](=[O:19])(=[O:21])-[C:23](-[F:24])(-[F:25])-[F:26]	3	28406,28509,28510
+[n:1]:[c:2]:[c:3](-[c:4]:1:[c:5]:[c:6]:[n:7]:[n:8]:1):[c:9]>>[c:4]:1(:[c:5]:[c:6]:[n:7]:[n:8]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19].[n:1]:[c:2]:[c:3](:[c:9])-[Br:10]	3	28487,28488,29254
+[c:1]-[C:2](-[C:3])(-[C:4])-[O:5]>>[c:1]-[C:2](-[C:3])=[O:5].[C:4]-[Mg:7]-[Cl:6]	3	28733,33634,33638
+[C:1](-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1)-[O:8]>>[C:1]-1-[C:2]-[O:8]-1.[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1	3	28801,37034,56655
+[N:1](-[C:2])-[c:3]>>[N:1](-[C:2])(-[c:3])-[C:5](=[O:4])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	3	28824,39093,52586
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:8]:[c:6](:[n:5]:1)-[N:7]>>[c:1]:[c:4](:[c:3](:[c:2])-[N:8])-[N:5].[C:6](#[N:7])-[Br:9]	3	29028,29438,41193
+[c:1]:[c:2]:[n:3]:[c:4](-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1):[c:10]>>[c:5]:1(:[c:6]:[n:7]:[n:8]:[c:9]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19].[c:1]:[c:2]:[n:3]:[c:4](:[c:10])-[O:23]-[S:21](=[O:20])(=[O:22])-[C:24](-[F:25])(-[F:26])-[F:27]	3	29259,29290,29294
+[O:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]=[C:7](-[O:8])-[C:9]>>[C:4](=[O:5])(-[C:6]=[C:7](-[O:8])-[C:9])-[Cl:10].[O:1]-[N:2]-[C:3]	3	29301,29302,29303
+[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[C:9](-[O:8]-[C:7])=[O:10]>>[C:7]-[O:8].[N:1]-[C:2](=[O:3])-[C:4]=[C:5]-1-[O:6]-[C:12](-[C:11])(-[C:13])-[O:14]-[C:9]-1=[O:10]	3	29314,31918,33138
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[O:11]>>[N:5]-[c:6](:[c:7]):[n:10]:[c:9]:[c:8].[C:1](=[O:2])(-[C:3](-[C:4]=[O:12])-[Cl:13])-[O:11]	3	29331,30566,30567
+[O:1]-[C:2].[c:3]-[O:4]>>[O:1](-[C:2])-[C:6](-[O:4]-[c:3])(-[C:5])-[C:7]	3	29400,36772,56682
+[C:1]-[C:2](-[C:3]-[O:4])-[c:5]>>[C:1]-[C:2](=[C:3])-[c:5].[O:4]-[O:6]	3	29503,36255,47292
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5]):[o:6]:1>>[C:4](-[c:5])=[O:6].[C:1](-[N+:2]#[C-:3])-[S:14](-[c:13]:1:[c:7]:[c:8]:[c:10](-[C:9]):[c:11]:[c:12]:1)(=[O:15])=[O:16]	3	29504,38860,44774
+[C:1]-[C:2](-[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1)=[O:9]>>[C:1]-[C:2](=[O:9])-[Cl:10].[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1	3	29715,36293,43983
+[C:1](-[N:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1)-[C:9](-[N:10])=[O:11]>>[C:1](-[N:2])-[C:9](-[N:10])=[O:11].[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:12]	3	29753,37808,44090
+[c:1](:[c:2]-[O:3]):[n:4]>>[c:1](:[c:2]-[O:3]-[C:7]-[O:6]-[C:5]):[n:4]	3	30028,52162,52764
+[C:1]-[N:2]-1-[C:3]-[c:4](:[n:5]):[c:6]-[C:7]-1=[O:8]>>[C:1]-[N:2].[C:3](-[c:4](:[n:5]):[c:6]-[C:7](=[O:8])-[O:10]-[C:9])-[Br:11]	3	30146,30189,30192
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[N:6]):[n:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:10]-[C:9]-[C:8]):[n:7].[N:5]-[N:6]	3	30233,42309,42324
+[C:1](=[O:2])(-[c:3](:[c:4]):[n:6]:[n:5])-[O:8]-[C:7]>>[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:10].[C:7]-[O:8].[C:1](=[O:2])(-[O:9])-[O:11]	3	30302,30407,30408
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[c:6](-[c:7]):[c:8]:[s:9]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[N:5])=[S:9].[C:6](-[c:7])(-[C:8]-[Br:11])=[O:10]	3	30572,30573,30576
+[C:1](=[C:2](-[C:3]-[O:6])-[C:4])-[C:5]>>[C:1](=[C:2](-[C:3](=[O:6])-[O:9]-[C:8]-[C:7])-[C:4])-[C:5]	3	30591,30926,53689
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])=[C:7]-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5]#[N:6].[C:7](-[c:8])=[O:9]	3	30734,30738,30745
+[C:1]-[N:2]-1-[C:3](=[S:4])-[N:5]-[C:6](=[O:7])-[C:8]=[C:9]-1-[N:10]>>[C:6](=[O:7])(-[C:8]-[C:9]#[N:10])-[O:13]-[C:12]-[C:11].[C:1]-[N:2]-[C:3](=[S:4])-[N:5]	3	30736,30739,30744
+[c:1]:1:[c:2]:2-[N:3]-[C:4](-[C:5]=[C:6](-[c:7])-[n:8]:2:[n:9]:[c:10]:1)=[O:11]>>[C:4](-[C:5]-[C:6](-[c:7])=[O:15])(=[O:11])-[O:14]-[C:13]-[C:12].[c:1]:1:[c:2](-[N:3]):[n:8]:[n:9]:[c:10]:1	3	30746,42760,54492
+[c:1]-[C:2]-[N:3]-[c:4]:[c:6](:[n:5]):[n:7]>>[N:3]-[c:4]:[c:6](:[n:5]):[n:7].[c:1]-[C:2]-[Cl:8]	3	30833,48393,50891
+[c:1]:1:[c:2]:[s:3]:[c:4]:2:[n:5]:[c:6](-[c:7]):[c:8]:[n:9]:1:2>>[c:1]:1:[c:2]:[s:3]:[c:4](-[N:5]):[n:9]:1.[C:6](-[c:7])(-[C:8]-[Br:11])=[O:10]	3	30839,42843,42847
+[n:1]:[c:2](:[c:3]-[O:4]-[C:5]-[c:6]):[n:7]>>[n:1]:[c:2](:[c:3]-[O:4]):[n:7].[C:5](-[c:6])-[Br:8]	3	30846,34709,34710
+[O:1]=[C:2]-1-[N:3]-[c:4]:[c:5]-[N:6]-[C:7]-1=[O:8]>>[O:1]=[C:2](-[C:7](=[O:8])-[O:12]-[C:13]-[C:14])-[O:11]-[C:10]-[C:9].[N:3]-[c:4]:[c:5]-[N:6]	3	30888,30893,30896
+[c:1]-[O:2]-[C:3](-[C:4](=[O:5])-[O:6])=[C:7]-[C:8]=[O:9]>>[C:3](-[C:4](=[O:5])-[O:6])(-[O:12]-[C:11]-[C:10])=[O:13].[c:1]-[O:2].[C:7]-[C:8]=[O:9]	3	30895,30904,30914
+[c:1]:[c:2](-[C:3](-[C:4](=[O:5])-[O:7])=[O:8]):[c:6]>>[C:3](-[C:4](=[O:5])-[O:7])(=[O:8])-[O:12]-[C:11]-[C:10].[c:1]:[c:2](:[c:6])-[Br:9]	3	30899,30900,30916
+[c:1]-[N:2]-1-[C:3]=[C:4](-[C:5])-[C:6](=[O:7])-[N:8]-[C:9]-1=[O:10]>>[C:3](=[C:4](-[C:5])-[C:6](=[O:7])-[N:8]-[C:9](=[O:10])-[O:14]-[C:15]-[C:16])-[O:13]-[C:12]-[C:11].[c:1]-[N:2]	3	31001,31002,31003
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[c:10](:[c:9]):[n:11]:1:2>>[C:1]-[C:2](-[O:12]-[C:13]-[C:14])(-[O:15]-[C:16]-[C:17])-[O:20]-[C:19]-[C:18].[N:3]-[N:4]-[c:5]:1:[c:6]:[n:7]:[c:8]:[c:10](:[c:9]):[n:11]:1	3	31004,31005,41565
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[o:7]:1>>[C:5](-[C:6])(-[O:10]-[C:9]-[C:8])(-[O:11]-[C:12]-[C:13])-[O:14]-[C:15]-[C:16].[c:1]-[C:2](-[N:3]-[N:4])=[O:7]	3	31010,38960,43396
+[C:1](=[C:2]-[N:3]-[c:4])(-[C:6](-[O:5])=[O:7])-[C:8](=[O:9])-[O:10]>>[C:2](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[C:1](-[C:6](-[O:5])=[O:7])-[C:8](=[O:9])-[O:10].[N:3]-[c:4]	3	31041,31042,31043
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:[o:6]:1>>[C:5](-[O:9]-[C:8]-[C:7])(-[O:10]-[C:11]-[C:12])-[O:13]-[C:14]-[C:15].[c:1]-[C:2](-[N:3]-[N:4])=[O:6]	3	31059,31062,31070
+[c:1]:1:[c:2]:[n:3](-[c:4](:[c:5]):[c:7]:[n:6]):[n:8]:[c:9]:1>>[c:1]:1:[c:2]:[n:3]:[n:8]:[c:9]:1.[c:4](:[c:5])(:[c:7]:[n:6])-[I:10]	3	31103,31125,40603
+[c:1]:1:[c:2]:[n:3](-[c:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:2):[n:10]:[c:11]:1>>[c:1]:1:[c:2]:[n:3]:[n:10]:[c:11]:1.[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[Cl:12]	3	31116,31117,34419
+[C:1]-[S:2](=[O:3])(=[O:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[S:2](=[O:3])-[O:4].[c:5](:[c:6])(:[c:7])-[F:8]	3	31261,33613,33614
+[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[C:6](-[N:7]-[c:8])=[O:9]>>[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[C:6](=[O:9])-[O:10].[N:7]-[c:8]	3	31309,34279,43291
+[c:1]:1-[N:2]-[C:3](=[O:4])-[C:5](=[O:6])-[N:7]-[c:8]:1>>[c:1](-[N:2]):[c:8]-[N:7].[C:3](=[O:4])(-[C:5](=[O:6])-[O:10])-[O:9]	3	31313,42447,46798
+[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[C:7](-[N:6])-[C:8]>>[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1.[N:6]-[C:7](-[C:8])=[O:9]	3	31343,38473,40328
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1-[C:6]>>[C:6]-[I:7].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1	3	31355,31540,31870
+[c:1]:1:[n:2]:[n:3](-[C:4]):[c:5](:[n:6]):[c:7]:1>>[c:1]:1:[n:2]:[n:3]:[c:5](:[n:6]):[c:7]:1.[C:4]-[I:8]	3	31373,31425,31782
+[n:1]:[c:2](-[S:3]-[C:4]):[n:5]>>[C:4]-[I:6].[n:1]:[c:2](-[S:3]):[n:5]	3	31374,31495,31760
+[C:1]-[N:2]-[c:3]>>[C:1]-[I:4].[N:2]-[c:3]	3	31382,31491,31492
+[N:1]-[C:5](-[N:3](-[C:2])-[C:4])=[O:6]>>[C:4]-[I:7].[N:1]-[C:5](-[N:3]-[C:2])=[O:6]	3	31762,31800,31808
+[c:1]:1:[c:2]:[n:3]:[n:4](-[c:5]:2:[n:6]:[c:7]:[n:8]:[c:9]:[c:10]:2):[c:11]:1:[c:12]>>[c:1]:1:[c:2]:[n:3]:[n:4]:[c:11]:1:[c:12].[c:5]:1(:[n:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[Cl:13]	3	31889,31901,34630
+[c:1]-[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[c:7](:[n:8]):[c:9]>>[c:1]-[C:2](-[C:3]=[C:4]-[N:11](-[C:10])-[C:12])=[O:13].[N:5]-[N:6]-[c:7](:[n:8]):[c:9]	3	32001,41378,41379
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]-[C:16]):[c:6]>>[C:3](=[O:4])-[N:18](-[C:7])-[C:17].[O:5]-[C:16].[c:1]:[c:2](:[c:6])-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15]	3	32044,32045,32046
+[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[O:9].[N:6](-[C:7])-[C:8]	3	32246,44164,44165
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[O:9]):[c:10]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:15]-[C:14]-[C:13]-[C:12]-[C:11]):[c:10].[N:5]-[C:6]-[C:7](=[O:8])-[O:9]	3	32523,44064,44174
+[C:1]-[S:2](-[C:3])=[O:4]>>[C:1]-[S:2]-[C:3].[O:4]-[O:5]	3	32703,47255,47306
+[C:1]-[O:2]-[C:3](-[c:4](:[c:5]):[c:6])(-[O:7])-[C:8]>>[C:1]-[O:2].[C:3](-[O:7])(-[C:8])=[O:10].[c:4](:[c:5])(:[c:6])-[Br:9]	3	32718,32719,32721
+[C:1]-[S:2]-[C:3](=[N:4]-[C:5]#[N:6])-[N:7]-[c:8]>>[C:1]-[O:9].[S:2]=[C:3]=[N:7]-[c:8].[N:4]-[C:5]#[N:6]	3	32747,32804,32805
+[O:1]=[C:2](-[c:3]:[c:4]:[n:5])-[O:6]>>[O:6]-[C:7].[O:1]=[C:2](-[c:3]:[c:4]:[n:5])-[C:9](-[F:8])(-[F:10])-[F:11]	3	32760,32761,32762
+[c:1]:[c:2](-[C:3](=[O:4])-[O:7]-[C:6]):[c:5]>>[C:6]-[O:7].[c:1]:[c:2](:[c:5])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17].[C:3](=[O:4])(-[C:8])-[O:9]	3	32767,32768,32769
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2].[c:3](:[c:4])(:[c:5])-[Br:6]	3	33003,40046,50320
+[C:1]-[C:2]=[O:3]>>[O:3]-[C:5].[C:1]-[C:2]=[C:4]	3	33052,33066,33071
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[C:1]-[O:2].[C:3](=[O:4])(-[C:5]=[C:6])-[O:7]	3	33101,33114,33120
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:8]-[O:7]-[C:6]-[C:5]-[O:4]-[C:3]	3	33249,38544,38568
+[c:1]:[c:2](-[N:3]):[n:4]:[c:5]:[c:6]>>[c:1]:[c:2](:[n:4]:[c:5]:[c:6])-[Cl:15].[N:3](-[Si:8](-[C:7])(-[C:9])-[C:10])-[Si:11](-[C:12])(-[C:13])-[C:14]	3	33281,34163,34164
+[c:1](:[n:2]):[c:4](:[c:3])-[C:5](-[O:6])-[c:7]>>[C:5](=[O:6])-[c:7].[c:1](:[n:2]):[c:4]:[c:3]	3	33299,49824,50623
+[c:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6](-[F:7])(-[F:8])-[F:9]):[n:10]:[c:11]:1-[O:12]>>[c:1]-[C:2](-[N:3])-[C:11](-[N:10])=[O:12].[C:4](-[C:5](-[C:6](-[F:7])(-[F:8])-[F:9])=[O:13])(-[Br:14])-[Br:15]	3	33302,36317,37188
+[c:1](-[O:2]):[c:3]-[O:4]>>[c:1](-[O:2]-[C:5]):[c:3]-[O:4]-[C:6]	3	33312,44722,57090
+[c:1]-[C:2](-[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1)-[O:9]>>[c:1]-[C:2]=[O:9].[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1	3	33352,43288,55783
+[C:1]-[C:6](=[C:5]-[C:3](-[C:2])=[O:4])-[c:7]>>[C:1]-[C:6](-[c:7])=[O:8].[C:2]-[C:3](=[O:4])-[C:5]	3	33428,42643,50004
+[c:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]):[c:9]>>[c:1]:[c:2](:[c:9])-[I:10].[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	3	33537,48642,49979
+[C:1]-[S:2](=[O:3])(=[O:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[S:2](=[O:3])-[O:4].[c:5](:[c:6])(:[c:7])-[Br:8]	3	33612,33615,33616
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]#[C:7]-[Si:8](-[C:9])(-[C:10])-[C:11]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[I:12].[C:6]#[C:7]-[Si:8](-[C:9])(-[C:10])-[C:11]	3	33655,33684,33717
+[c:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6]):[o:7]:1>>[c:1]-[C:2](-[N:3]-[C:4]-[C:5]#[C:6])=[O:7]	3	33949,39618,52728
+[n:1]:[c:2]:1:[c:3](:[c:4](-[c:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:2):[c:11]:[n:12]:1):[c:13]:[n:14]>>[n:1]:[c:2]:1:[c:3](:[c:4](:[c:11]:[n:12]:1)-[I:15]):[c:13]:[n:14].[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[B:17](-[O:16])-[O:18]	3	34040,46100,46101
+[c:1]:[c:2](-[N:3]-[c:4]:[c:6]:[n:5]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[N:3]-[c:4]:[c:6]:[n:5]	3	34092,48703,48704
+[C:1]-[n:2](:[n:3]):[c:5]:[c:4]>>[C:1](-[n:2](:[n:3]):[c:5]:[c:4])-[Si:7](-[C:6])(-[C:8])-[C:9]	3	34129,34130,34131
+[c:1]-[c:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1>>[N:4](=[N+:5]=[N-:6])-[Si:8](-[C:7])(-[C:9])-[C:10].[c:1]-[C:2]#[C:3]	3	34141,34155,34161
+[C:1]-[N:2](-[C:3]-1-[C:4]-[C:5]-1)-[C:6]>>[C:1]-[N:2]-[C:6].[C:3]-1(-[C:4]-[C:5]-1)(-[O:9]-[C:8]-[C:7])-[O:10]-[Si:11](-[C:12])(-[C:13])-[C:14]	3	34173,34174,34175
+[c:1](-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]):[c:7]:[n:8]>>[c:1](-[N:2]-[C:3]):[c:7]:[n:8].[C:4](=[O:5])(-[c:6])-[O:9]	3	34262,36214,43788
+[c:1]:[c:2](-[c:3]:1:[c:4](:[n:5]):[n:6]:[n:7]:[c:8]:1):[c:9]>>[c:3]:1(:[c:4](:[n:5]):[n:6]:[n:7]:[c:8]:1)-[I:10].[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13]	3	34340,46565,46617
+[c:1](:[c:2]):[n:6]:[c:4](:[c:3])-[N+:5](=[O:7])-[O-:8]>>[c:1](:[c:2]):[n:6]:[c:4]:[c:3].[N+:5](=[O:7])(-[O-:8])-[O:9]	3	34411,36248,47691
+[c:1]:[c:4](:[c:3]:[c:2]):[n:5]>>[c:1]:[c:4](:[c:3](:[c:2])-[Br:6]):[n:5]	3	34434,51695,52737
+[c:1]-[C:2]=[C:3](-[C:4](=[O:5])-[O:6])-[c:7]>>[c:1]-[C:2]=[O:8].[C:3](-[C:4](=[O:5])-[O:6])-[c:7]	3	34437,43275,43287
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[S:6]):[n:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]):[n:7].[N:5]-[S:6]	3	34477,34480,45561
+[n:1]:[c:2](-[C:3]-[C:4]-[C:5]):[c:6]>>[n:1]:[c:2](-[C:3]):[c:6].[C:4](-[C:5])-[Br:7]	3	34695,43492,49522
+[c:1]:[c:2]:1:[n:3]:[c:4](:[n:5]:[c:6](-[c:7]):[c:8]:1:[c:9])-[O:10]>>[c:1]:[c:2](-[N:3]-[C:4](=[O:10])-[C:12](-[Cl:13])(-[Cl:14])-[Cl:15]):[c:8](-[C:6](-[c:7])=[O:11]):[c:9].[N:5]	3	34814,34840,34841
+[c:1]:[c:2](-[C:3]=[O:5]):[c:4]>>[C:3](-[Cl:6])(-[Cl:7])-[Cl:8].[O:5].[c:1]:[c:2]:[c:4]	3	34997,34998,34999
+[O:1]=[C:2](-[Cl:3])-[c:4]>>[Cl:3]-[P:6](-[Cl:5])(-[Cl:7])(-[Cl:8])-[Cl:9].[O:1]=[C:2](-[c:4])-[O:10]	3	35176,35177,35178
+[c:1]:1(:[c:2]:[c:4](:[n:3]):[c:5]:[c:6]:[n:7]:1)-[Cl:8]>>[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[c:1]:1(:[c:2]:[c:4](:[n:3]):[c:5]:[c:6]:[n:7]:1)-[O:13]	3	35215,35328,35535
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[Cl:7]):[n:8]:1>>[Cl:7]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[c:1]:[c:2]-1:[c:3](:[c:4])-[N:5]-[C:6](-[N:8]-1)=[O:13]	3	35354,35389,35390
+[c:1]:1(:[c:2]:[c:3]:[n:4]:[c:5](:[n:6]):[c:7]:1)-[Cl:8]>>[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[c:1]:1(:[c:2]:[c:3]:[n:4]:[c:5](:[n:6]):[c:7]:1)-[O:13]	3	35357,35358,35537
+[c:1]:[c:2](:[n+:3]:[c:4](:[c:5])-[Cl:7]):[c:6]>>[Cl:7]-[P:8](-[Cl:9])(-[Cl:10])=[O:11].[c:1]:[c:2](:[n+:3]:[c:4]:[c:5]):[c:6]	3	35359,35378,35421
+[c:1]:[c:2](-[C:3]-[Cl:4]):[s:5]>>[Cl:4]-[S:7](=[O:6])-[Cl:8].[c:1]:[c:2](-[C:3]-[O:9]):[s:5]	3	35575,35579,35853
+[c:1]:1:[c:2](-[C:3](=[O:7])-[Cl:8]):[c:4]:[n:5]:[n:6]:1>>[Cl:8]-[S:10](=[O:9])-[Cl:11].[c:1]:1:[c:2](-[C:3](=[O:7])-[O:12]):[c:4]:[n:5]:[n:6]:1	3	35582,35583,35786
+[c:1]-[C:2](=[N:3]-[c:4])-[Cl:5]>>[Cl:5]-[S:7](=[O:6])-[Cl:8].[c:1]-[C:2](-[N:3]-[c:4])=[O:9]	3	35590,35591,35674
+[O:1]=[C:2](-[C:3](=[C:4])-[C:5])-[Cl:6]>>[Cl:6]-[S:8](=[O:7])-[Cl:9].[O:1]=[C:2](-[C:3](=[C:4])-[C:5])-[O:10]	3	35715,35800,35820
+[C:1]=[C:2]-[C:3](=[O:4])-[Cl:5]>>[Cl:5]-[S:7](=[O:6])-[Cl:8].[C:1]=[C:2]-[C:3](=[O:4])-[O:9]	3	35740,35751,35764
+[c:1]:[c:2](:[n:3]:[c:4]:[c:5])-[O:6]>>[c:1]:[c:2](:[n:3]:[c:4]:[c:5])-[N:7].[O:6]=[N:9]-[O:8]	3	35974,42370,47209
+[c:1]:[c:3](:[c:2])-[c:4](:[c:5]):[c:6]>>[c:1]:[c:3]:[c:2].[c:4](:[c:5])(:[c:6])-[B:8](-[O:7])-[O:9]	3	36127,45266,46706
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:9]:[c:8](:[n:5]:1-[C:6])-[N:7]>>[c:1]:[c:4](:[c:3](:[c:2])-[N:9]-[C:8](-[N:7])=[S:10])-[N:5]-[C:6]	3	36137,41442,41443
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[n:7]:1>>[N:1]-[C:2](=[N:7]-[C:5]#[N:6])-[S:9]-[C:8].[N:3]-[N:4]	3	36179,42172,42293
+[O:1]-[N:2](-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[C:10]>>[O:1]-[N:2]-[C:10].[C:3](=[O:4])(-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[Cl:11]	3	36184,36187,40154
+[c:1]-[N:2]=[C:3]-[c:4]:[c:5]:[n:6]>>[c:1]-[N:2].[C:3](-[c:4]:[c:5]:[n:6])=[O:7]	3	36194,47888,49175
+[n:1]:1:[c:2]:[c:3]:2:[c:4]:[n:5](-[c:6]):[n:7]:[c:8]:2:[c:9]:[c:10]:1>>[n:1]:1:[c:2]:[c:3](-[C:4]=[N:5]-[c:6]):[c:8](-[N:7]=[N+:12]=[N-:11]):[c:9]:[c:10]:1	3	36196,49366,49367
+[c:1]:[c:4](:[n:3]:[n:2])-[O:5]>>[c:1]:[c:4](:[n:3]:[n:2])-[Cl:9].[O:5]=[C:7](-[C:6])-[O:8]	3	36204,41583,44153
+[c:1]:[c:2](-[O:3]-[c:4](:[c:5]:[n:6]):[c:8]:[n:7]):[c:9]>>[c:1]:[c:2](:[c:9])-[F:10].[O:3]-[c:4](:[c:5]:[n:6]):[c:8]:[n:7]	3	36222,39940,54138
+[N:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[s:6]:1>>[N:1]-[C:2](-[N:3])=[S:6].[C:4](-[C:5]-[Cl:8])=[O:7]	3	36230,42080,44585
+[N:1]=[C:2]-[C:3]-[S:4]-[c:5](:[c:6]:[n:7]):[n:8]>>[N:1]=[C:2]-[C:3]-[Cl:9].[S:4]-[c:5](:[c:6]:[n:7]):[n:8]	3	36250,43297,48138
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5](:[n:6]):[n:7]:[c:8]:[c:9]:1):[c:10]>>[c:3]:1(:[c:4]:[c:5](:[n:6]):[n:7]:[c:8]:[c:9]:1)-[Cl:11].[c:1]:[c:2](:[c:10])-[B:13](-[O:12])-[O:14]	3	36302,36866,46577
+[c:1]:1:[c:2]:[n:3](-[c:4](:[c:5]):[n:8]:[c:7]:[c:6]):[c:9]:[n:10]:1>>[c:4](:[c:5])(:[n:8]:[c:7]:[c:6])-[Cl:11].[c:1]:1:[c:2]:[n:3]:[c:9]:[n:10]:1	3	36340,36372,53367
+[c:1]:[c:5](-[c:3](:[c:2]):[c:4]):[c:6]>>[c:1]:[c:5]:[c:6].[c:2]:[c:3](:[c:4])-[Br:7]	3	36394,46470,51231
+[c:1]:1:[c:2]:[n:3]:2-[C:4]-[C:5]-[C:6]-[C:7]-[c:8]:2:[n:9]:1>>[c:1]:1:[c:2]:[n:3]:2:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:2:[n:9]:1	3	36402,51464,53305
+[c:1]:[n:8]:[c:4](:[n:3]:[c:2])-[N:5](-[C:6])-[c:7]>>[N:5](-[C:6])-[c:7].[c:1]:[n:8]:[c:4](:[n:3]:[c:2])-[Cl:9]	3	36462,36969,41463
+[n:1]:[c:2](:[c:3](-[N+:4](=[O:7])-[O-:8]):[c:5]):[c:6]>>[n:1]:[c:2](:[c:3]:[c:5]):[c:6].[N+:4](=[O:7])(-[O-:8])-[O:9]	3	36473,47744,47768
+[C:1]-1-[C:2](-[O:3]-1)-[c:4]>>[O:3]-[O:7]-[C:6](=[O:5])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12](-[Cl:13]):[c:14]:1.[C:1]=[C:2]-[c:4]	3	36539,36557,36606
+[C:1]-[C:2]=[C:3](-[c:4])-[c:5]>>[C:1]-[C:2]-[C:3](-[c:4])(-[c:5])-[O:6]	3	36735,43295,56081
+[C:1]-[C:2]-[C:3](-[c:4])-[c:5]>>[C:1]-[C:2]=[C:3](-[c:4])-[c:5]	3	36736,52190,56109
+[N:1](-[C:2]-[C:3]-[C:4]#[N:5])-[c:6]>>[N:1]-[c:6].[C:2]=[C:3]-[C:4]#[N:5]	3	36790,41250,41253
+[c:1]:[c:2]:1:[n:3]:[c:4](-[N:5]-[c:6]):[c:7]:[c:8]:[n:9]:1>>[N:5]-[c:6].[c:1]:[c:2]:1:[n:3]:[c:4](:[c:7]:[c:8]:[n:9]:1)-[Cl:10]	3	36792,36793,49221
+[c:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:3](-[c:4])=[O:6].[c:1]-[N:2]-[C:5]	3	36849,44645,54550
+[c:1]:[c:2](-[N:3]-1-[C:4]=[C:5]-[C:6]=[C:7]-[C:8]-1=[O:9]):[c:10]>>[c:1]:[c:2](:[c:10])-[I:11].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[O:9]	3	36860,51559,54831
+[n:1]:1:[c:2]:[c:3]:[c:4](-[O:5]):[c:6]:[c:7]:1-[O:8]>>[N+:1]-1(-[C:2]=[C:3]-[C:4](-[O:5])=[C:6]-[C:7]-1=[O:8])-[O-:9]	3	36925,43323,54782
+[c:1]-[C:2](-[N:3]-[N:4]-[C:5]=[S:6])=[O:7]>>[c:1]-[C:2](=[O:7])-[O:8].[N:3]-[N:4]-[C:5]=[S:6]	3	37054,42355,42357
+[C:1]-[N:2]-1-[C:3]-[c:4](:[c:5]-[C:8]-1=[O:9]):[c:7]:[n:6]>>[C:1]-[N:2].[C:3](-[c:4](:[c:5]-[C:8](=[O:9])-[O:12]-[C:11]-[C:10]):[c:7]:[n:6])-[Br:13]	3	37153,37920,49008
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-1(-[c:6])-[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[N:12]-[O:13]-1>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[O:14].[N:12]-[O:13]	3	37179,37180,37184
+[C:1]-[C:2](=[O:3])-[C:4](-[F:5])(-[F:6])-[F:7]>>[C:1]-[C:2](-[O:3])-[C:4](-[F:5])(-[F:6])-[F:7]	3	37373,37422,37618
+[c:1]-[c:2]:1:[n:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[F:8]):[c:9]:[n:10]:1-[c:11]>>[c:1]-[C:2]-1=[N:3]-[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])(-[C:9]-[N:10]-1-[c:11])-[O:12]	3	37690,37691,37696
+[N:1]=[C:2](-[N:3])-[N:4]>>[C:2](-[N:3])(-[N:4])=[S:5].[N:1]	3	37886,37887,40886
+[O:1]=[C:2](-[N:3]-[c:4]:[c:6]:[n:5])-[c:7]:[c:8]:[n:9]>>[O:1]=[C:2](-[c:7]:[c:8]:[n:9])-[O:10].[N:3]-[c:4]:[c:6]:[n:5]	3	37964,37967,42757
+[N:1]-[C:2](-[C:3])=[C:4](-[C:5](-[N:6])=[O:7])-[C:8]>>[N:1]-[C:2](-[C:3])=[C:4](-[C:5](=[O:7])-[O:9])-[C:8].[N:6]	3	38014,38995,39001
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[s:7]:1>>[C:5](-[C:6])#[N:8].[N:1]-[C:2](-[N:3]-[N:4])=[S:7]	3	38163,41313,42352
+[c:1]:[c:2]:[n:3](-[C:4]-1=[C:5]-[C:6]=[C:7]-2-[C:8](=[O:9])-[N:10](-[C:11])-[C:12]-[C:13]-[N:14]-2-[C:15]-1=[O:16]):[c:17]>>[N:10](-[C:11])-[C:12]-[C:13]-[O:19].[c:1]:[c:2]:[n:3](-[c:4]:1:[c:5]:[c:6]:[c:7](-[C:8](=[O:9])-[O:18]):[n:14]:[c:15]:1-[O:16]):[c:17]	3	38474,39054,40231
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5]-[c:6](:[c:7]):[c:9](:[c:8])-[N+:10](-[O-:11])=[O:13])=[O:12]	3	38511,43933,52723
+[c:1]:[c:2](-[C:3]#[N:5]):[c:4]>>[c:1]:[c:2](:[c:4])-[Br:10].[C:3]-1(-[N:5](-[C:6]-[C:7]-[C:8]-1)-[C:11])=[O:9]	3	38512,41605,41607
+[c:1]-[N:2](-[c:3](:[c:4]):[c:5])-[S:6]>>[c:3](:[c:4])(:[c:5])-[F:7].[c:1]-[N:2]-[S:6]	3	38571,48663,51642
+[O:1]-[C:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])-[c:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:9].[O:1]=[C:2]-[c:8]	3	38581,48435,54760
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]:[c:7]:[n:6]):[c:8]>>[C:3](=[O:4])(-[c:5]:[c:7]:[n:6])-[N:12](-[O:11]-[C:10])-[C:13].[c:1]:[c:2](:[c:8])-[Br:9]	3	38670,48718,51765
+[c:1](:[n:2]:[c:3](-[C:4](=[C:5]-[C:6])-[C:7]):[c:8]):[c:9]>>[C:4](=[C:5]-[C:6])(-[C:7])-[B:12](-[O:11])-[O:13].[c:1](:[n:2]:[c:3](:[c:8])-[Br:10]):[c:9]	3	38883,46386,48278
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[o:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Br:11].[c:3]:1(:[c:4]:[c:5]:[c:6](:[c:7]):[o:8]:1)-[B:13](-[O:10])-[O:12]	3	38930,46779,46780
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[O:6]):[n:7]:[c:8]:1-[O:9]>>[N:4]=[C:5](-[O:6])-[N:7].[C:1]-[C:2](-[C:3]=[O:12])-[C:8](=[O:9])-[O:11]-[C:10]	3	38945,39569,39941
+[N:1]-1-[C:2](-[C:3])-[C:4]-[O:5]-[C:14]-1=[O:13]>>[C:2](-[C:3])(-[C:4]-[O:5])-[C:14](=[O:13])-[O:15].[N:1](=[N+:17]=[N-:16])-[P:18](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(=[O:19])-[c:20]:2:[c:6]:[c:24]:[c:23]:[c:22]:[c:21]:2	3	38983,39406,39449
+[C:1]-1-[N:2]-[C:3](=[O:4])-[N:5](-[c:6])-[C:7](=[C:8]-1-[C:9])-[C:10]>>[C:1](-[N:2])-[C:8](=[C:7](-[N:5]-[c:6])-[C:10])-[C:9].[C:3](=[O:4])(-[n:13]:1:[c:12]:[c:11]:[n:20]:[c:19]:1)-[n:14]:2:[c:15]:[c:16]:[n:17]:[c:18]:2	3	39016,39666,39950
+[c:1]-[S:2]>>[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:5]	3	39129,45448,45469
+[C:1]=[C:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:7].[C:1]=[C:2]-[B-:9](-[F:8])(-[F:10])-[F:11]	3	39132,40251,40252
+[N+:1]-[C:2]-[C:3]-[c:4]:[c:6]:[n:5]>>[N+:1]-[C:2]=[C:3]-[c:4]:[c:6]:[n:5]	3	39146,46193,52788
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[c:7]):[n:8]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[N:8]-[C:6](-[c:7])=[O:9]	3	39189,39190,53261
+[O:1]=[C:2](-[O:3])-[c:4]:[c:5]:[n:6]>>[O:1]=[C:2]-[c:4]:[c:5]:[n:6].[O:3]-[S:8](-[N:7])(=[O:9])=[O:10]	3	39323,43554,45785
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[c:7])-[c:8]>>[C:5](-[O:6])(-[c:7])=[O:9].[N:1]-[C:2](=[O:3])-[C:4]-[c:8]	3	39411,44306,54292
+[C:1]-[c:2]>>[C:1](-[c:2])=[O:3]	3	39436,44642,50058
+[c:1](:[c:2]:[s:9])-[C:5](=[N:4]-[c:3])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[c:1](:[c:2]:[s:9])-[C:5](-[N:4]-[c:3])=[N:10]	3	39460,39757,40295
+[c:1](:[c:2]-[N:3]-[S:4](=[O:5])(=[O:6])-[c:7]):[s:8]>>[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:9].[c:1](:[c:2]-[N:3]):[s:8]	3	39541,42751,42753
+[N:1]#[C:2]-[C:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[O:8]-[C:7].[N:1]#[C:2]-[C:3]	3	39623,41217,41218
+[C:1]-[C:2](-[C:3]=[C:4]-[N:6])=[O:5]>>[C:1]-[C:2](-[C:3])=[O:5].[C:4](-[N:6])(-[O:8]-[C:7])-[O:9]-[C:10]	3	39654,40129,40207
+[c:1]-[C:2](-[O:3])-[C:4](-[c:5])(-[S:6])-[S:7]>>[C:4](-[c:5])(-[S:6])-[S:7].[c:1]-[C:2]=[O:3]	3	39688,40083,50615
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10](-[C:9])(=[O:11])=[O:12].[O:4]-[C:5]	3	40031,45315,45320
+[c:1]:1:[c:2](:[n:3](:[n:4]):[c:6](:[c:5]):[n:7]:1)-[I:8]>>[c:1]:1:[c:2]:[n:3](:[n:4]):[c:6](:[c:5]):[n:7]:1.[I:8]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	3	40126,44435,44437
+[c:1](:[c:2]-[O:3]-[C:4]-[c:5]):[s:6]>>[C:4](-[c:5])-[Br:7].[c:1](:[c:2]-[O:3]):[s:6]	3	40127,44211,50825
+[c:1]:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]:[n:7]):[c:8]):[c:9]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:9])-[Cl:10].[c:5](:[c:6]:[n:7])(:[c:8])-[B:12](-[O:11])-[O:13]	3	40213,46672,46769
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:8]:1)-[I:9].[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12]	3	40618,41380,41385
+[c:1]-[C:2]-1(-[C:3])-[N:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]>>[N:7]#[C:8].[N:4].[C:5](-[O:6])(=[O:10])-[O:11].[c:1]-[C:2](-[C:3])=[O:9]	3	40640,40642,40643
+[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[N:6]):[s:7]>>[N:6].[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[Cl:8]):[s:7]	3	40707,40708,40718
+[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:[c:7]:1-[N:8]):[n:9]>>[N:8].[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:[c:7]:1-[O:14]-[c:13]:2:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:2):[n:9]	3	40844,40974,40975
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[o:7]:1>>[C:5](#[N:6])-[Br:8].[c:1]-[C:2](-[N:3]-[N:4])=[O:7]	3	41192,41195,41200
+[N:1]-[c:2]:1:[c:3](-[C:4](-[N:5])=[O:6]):[n:7]:[c:8](-[N:9]-[c:10]):[s:11]:1>>[N:1]#[C:2]-[C:3](-[C:4](-[N:5])=[O:6])-[N:7].[C:8](=[N:9]-[c:10])=[S:11]	3	41237,41238,41239
+[N:1]-[C:7](=[C:5](-[C:3](-[N:2])=[O:4])-[N:6])-[N:8]>>[N:1]-[C:7](=[C:5]-[C:3](-[N:2])=[O:4])-[N:8].[N:6](=[O:9])-[O:10]	3	41578,41586,47205
+[c:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[c:6](:[c:7](:[c:8]):[n:10]:1):[c:9]>>[c:1]-[C:2]-[Cl:11].[S:3]=[C:4]-1-[N:5]-[c:6](:[c:7](:[c:8])-[N:10]-1):[c:9]	3	41601,49579,51396
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5]):[c:6].[C:1]-[C:2](-[O:3])=[O:7]	3	41629,52172,54260
+[C:1]-[N:2]-1-[N:3]=[N:4]-[N:5]-[C:6]-1=[O:7]>>[N:2]-1-[N:3]=[N:4]-[N:5]-[C:6]-1=[O:7].[C:1]-[O:13]-[S:10](-[O:9]-[C:8])(=[O:11])=[O:12]	3	41715,41716,45835
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[n:7]:[c:8]:[c:9]:2):[s:10]:1>>[S:10]=[C:14](-[N:13])-[N:15].[c:1]-[C:2](=[N:3]-[c:4]:1:[c:5](:[c:6]:[n:7]:[c:8]:[c:9]:1)-[F:11])-[Cl:12]	3	42061,42062,42065
+[C:1]-[c:2]:1:[c:3]:2:[c:4]:[n:5]:[c:6]:[c:7]:[c:8]:2:[n:9]:[n:10]:1>>[N:9]-[N:10].[C:1]-[C:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:[c:8]:1-[O:12])=[O:11]	3	42204,42206,42296
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:2>>[N:3]-[N:4].[N:1]#[C:2]-[c:6]:1:[c:5](:[c:10]:[c:9]:[n:8]:[c:7]:1)-[Cl:11]	3	42239,42245,42250
+[N:1]-1-[c:2](:[c:3]-[N:5](-[c:6])-[S:7]-1(=[O:8])=[O:9]):[c:4]>>[N:1]-[S:7](=[O:8])(=[O:9])-[N:10].[c:2](:[c:3]-[N:5]-[c:6])(:[c:4])-[N:11]	3	42365,42368,42369
+[c:1]-1:[c:2]-[N:3]-[C:4](=[O:5])-[O:6]-1>>[c:1](:[c:2]-[N:3])-[O:6].[C:4](=[O:5])(-[n:9]:1:[c:8]:[c:7]:[n:16]:[c:15]:1)-[n:10]:2:[c:11]:[c:12]:[n:13]:[c:14]:2	3	42411,42519,49306
+[O:1]=[C:2](-[N:3]-[c:4](:[c:5]:[n:6]):[c:8]:[n:7])-[c:9]>>[N:3]-[c:4](:[c:5]:[n:6]):[c:8]:[n:7].[O:1]=[C:2](-[c:9])-[Cl:10]	3	42531,50510,50568
+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[c:1]-[N:2].[C:3](=[N:4]-[C:7](=[O:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)=[S:5]	3	42591,51940,51946
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[O:5]-[C:4]	3	42610,43573,48720
+[O:1]=[C:2]-1-[N:3]-[c:4]:[c:6](:[n:5])-[N:7]-1>>[N:3]-[c:4]:[c:6](:[n:5])-[N:7].[O:1]=[C:2](-[n:10]:1:[c:9]:[c:8]:[n:17]:[c:16]:1)-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	3	42787,49178,49743
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[s:7]:1>>[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](:[s:7]:1)-[N:8]	3	42863,42867,48386
+[c:1]:1:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]:[c:7]:[o:8]:1>>[c:1]:1:[c:2]:[c:6]:[c:7]:[o:8]:1.[C:3](=[O:4])(-[c:5])-[Cl:9]	3	43076,51274,51809
+[c:1]:1:[c:2]:[c:3](:[c:4]:[c:5]:[n:6]:1)-[c:8](:[c:7]:[n:10]):[c:9]>>[c:1]:1:[c:2]:[c:3](:[c:4]:[c:5]:[n:6]:1)-[I:11].[c:7](:[c:8](:[c:9])-[B:13](-[O:12])-[O:14]):[n:10]	3	43311,46429,46479
+[c:1]-[C:2]-1(-[C:3])-[O:4]-[C:5]-[C:6]-[O:7]-1>>[c:1]-[C:2](-[C:3])=[O:4].[C:5](-[C:6]-[O:7])-[O:8]	3	43365,46970,46971
+[c:1]:1:[n:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[n:7]:[n:8]:[n:9]:2-[c:10]>>[N:8](-[O:15]-[C:14]-[C:13]-[C:12]-[C:11])=[O:16].[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]:[n:6]:1)-[N:7])-[N:9]-[c:10]	3	43489,43490,43491
+[c:1](-[C:2](-[N:3]-[O:4])=[N:5]):[c:6]:[n:7]>>[c:1](-[C:2]#[N:5]):[c:6]:[n:7].[N:3]-[O:4]	3	43532,47064,47193
+[c:1](:[n:2]):[c:4](:[n:3])-[O:5]>>[c:1](:[n:2]):[c:4](:[n:3])-[O:5]-[C:6]	3	43559,46111,56909
+[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1-[C:7](-[C:8]-[C:9])-[O:10]>>[C:7](=[C:8]-[C:9])-[O:10].[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1	3	43742,43744,43745
+[c:1]:[c:2]:1:[n:3]:[c:4](:[c:5]:[c:12]:1)-[C:10](-[N:9]-[C:6]-[C:7](=[O:8])-[O:13])-[c:11]>>[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:12]:1.[C:6](-[C:7](=[O:8])-[O:13])-[N:9].[C:10](-[c:11])=[O:14]	3	43920,43921,43922
+[O:1]=[C:2](-[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8](:[n:9]):[c:10]>>[O:1]=[C:2](-[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8](:[n:9]):[c:10])-[O:12]-[C:11]	3	44057,44058,44063
+[c:1]:[c:2](-[O:3]):[n:4]:[c:5]:[c:6]>>[O:3]=[C:8](-[C:7])-[O:9].[c:1]:[c:2](:[n:4]:[c:5]:[c:6])-[Cl:10]	3	44125,44128,44136
+[C:1](=[O:2])-[O:6]-[C:4](-[c:3])=[O:5]>>[C:1](=[O:2])-[O:6].[c:3]-[C:4](=[O:5])-[O:7]	3	44186,44284,51356
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:[c:9]:1-[c:10]>>[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[N:8].[c:1]-[C:2](-[C:9](-[c:10])=[O:12])=[O:11]	3	44189,46073,48909
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[I:7]>>[I:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1	3	44399,44406,44442
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[I:6]):[n:7]:1:[c:8]:[c:9]>>[I:6]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:7]:1:[c:8]:[c:9]	3	44426,44427,44438
+[c:1]:[c:2](-[N:3]=[C:4]=[S:6]):[n:5]>>[C:4](=[S:6])(-[N:16]-1-[C:11](=[O:10])-[C:12]=[C:13]-[C:14]=[C:15]-1)-[N:17]-2-[C:8](-[C:7]=[C:20]-[C:19]=[C:18]-2)=[O:9].[c:1]:[c:2](-[N:3]):[n:5]	3	44469,44470,44471
+[c:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[n:9]:1:2>>[C:1](-[C:2]=[O:10])-[Cl:11].[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[n:9]:1	3	44587,44592,44593
+[c:1]-[C:2]-[N:3]-[c:4]:[c:6]:[n:5]>>[c:1]-[C:2]=[O:7].[N:3]-[c:4]:[c:6]:[n:5]	3	44810,50020,54603
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1>>[c:1]:[c:2]:1:[n:3](:[n:4]:[c:5]:[c:6]:1)-[S:12](-[c:11]:2:[c:10]:[c:9]:[c:8](-[C:7]):[c:16]:[c:15]:2)(=[O:13])=[O:14]	3	44873,44874,55473
+[c:1]-[C:2](=[S:3])-[N:4]>>[c:1]-[C:2](-[N:4])=[O:5].[S:3]=[P:16]-1-2-[S:15]-[P:12]-3(-[S:11]-[P:9](-[S:8]-[P:7](=[S:6])(-[S:14]-3)-[S:17]-1)(=[S:10])-[S:18]-2)=[S:13]	3	45273,47428,47430
+[c:1]-[N:2]-[C:4](=[N:3])-[c:5]>>[c:1]-[N:2].[N:3]#[C:4]-[c:5]	3	45289,49284,50680
+[C:1]-[c:2]:1:[c:3](-[O:4]):[c:5](:[c:6]):[c:8](:[c:7]):[n:9]:1>>[c:5](:[c:6]):[c:8](:[c:7])-[N:9]-[N:10].[C:1]-[C:2](-[C:3]-[O:4])=[O:11]	3	45311,54586,54587
+[c:1]:1:[c:2]:[n:3]:[n:4](-[S:5](=[O:6])(=[O:7])-[c:8]):[c:9]:1:[c:10]>>[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:11].[c:1]:1:[c:2]:[n:3]:[n:4]:[c:9]:1:[c:10]	3	45495,51144,53961
+[O:1]=[C:2]-[C:3](-[O:4])=[C:6](-[C:5])-[O:7]>>[O:1]-[C:2]-[C:3](-[O:4])=[C:6](-[C:5])-[O:7]	3	45657,53027,56576
+[c:1]-[C:2](-[O:3])=[O:7]>>[O:3]-[S:5](=[O:4])(-[O:6])=[O:7].[c:1]-[C:2]#[N:8]	3	45797,45800,45802
+[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[O:7]):[c:6]>>[S:3](=[O:4])(=[O:5])(-[O:7])-[O:8].[c:1]:[c:2]:[c:6]	3	45801,45803,45815
+[C:1]-[O:2]-[C:3]=[O:4]>>[C:1]-[O:10]-[S:7](-[O:6]-[C:5])(=[O:8])=[O:9].[O:2]-[C:3]=[O:4]	3	45834,45841,45847
+[c:1]-[O:2]>>[c:1]-[O:2]-[S:4](-[C:3])(=[O:5])=[O:6]	3	45884,45885,45887
+[c:1]-[C:2](-[C:3])(-[C:4])-[O:5]>>[C:4]-[Li:6].[c:1]-[C:2](-[C:3])=[O:5]	3	45996,47548,47549
+[C:1]-[C:2](=[C:3](-[O:4]-[C:5]-[c:6])-[C:7]=[O:8])-[O:9]>>[C:1]-[C:2](=[C:3](-[O:4])-[C:7]=[O:8])-[O:9].[C:5](-[c:6])-[Br:10]	3	46175,46824,46825
+[c:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:1>>[c:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:1-[S:9](=[O:8])(=[O:10])-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2	3	46182,46245,57012
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[n:7]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N+:7](-[O-:8])=[O:11].[C:6](=[O:9])-[O:10]	3	46315,46895,46911
+[O:1]=[C:2]-[c:3]>>[O:1]=[Se:5]=[O:4].[C:2]-[c:3]	3	46351,46353,46355
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[n:7]:[n:8]>>[c:4](:[c:5])(:[c:6])-[B:11](-[O:10])-[O:12].[n:1]:[c:2]:[c:3](:[n:7]:[n:8])-[Br:9]	3	46526,46571,46589
+[C:1](-[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6]):[c:7]:1)=[O:8]>>[N:3](=[O:8])-[O:9].[c:1]:1:[c:2]:[c:7]:[c:5](:[n:4]:1):[c:6]	3	47211,47223,47224
+[O:1]=[S:2](-[C:3])-[c:4](:[n:5]):[n:6]>>[O:1]-[O:7].[S:2](-[C:3])-[c:4](:[n:5]):[n:6]	3	47251,47299,47312
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[c:1]-[C:2](-[N:3]-[c:4](:[c:5](:[c:6])-[O:9]):[c:7])=[O:8]	3	47348,47349,55612
+[C:1]-[C:2]-[S:3]-[c:4]>>[S:3]-[c:4].[C:1]-[C:2]-[O:13]-[S:10](-[c:9]:1:[c:8]:[c:7]:[c:6](-[C:5]):[c:15]:[c:14]:1)(=[O:11])=[O:12]	3	47496,53977,53988
+[c:1]-[C:2](-[C:3])=[O:4]>>[C:3]-[Li:6].[c:1]-[C:2](=[O:4])-[O:5]	3	47544,47545,47546
+[C:1]-[C:2](-[c:3](:[c:4]):[n:5])=[O:6]>>[C:1]-[Mg:11]-[Br:10].[C:2](-[c:3](:[c:4]):[n:5])(=[O:6])-[N:8](-[O:7]-[C:12])-[C:9]	3	47566,47568,47589
+[n:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[N+:6](=[O:8])-[O-:9]):[c:7]:1>>[N+:6](=[O:8])(-[O-:9])-[O:10].[n:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:7]:1	3	47607,47609,47610
+[C:1]-[n:2]:1:[n:3]:[n:4]:[n:5]:[c:6]:1-[c:7]>>[N-:3]=[N+:4]=[N-:5].[C:1]-[N:2]-[C:6](-[c:7])=[O:8]	3	47927,47932,48028
+[n:1]:[c:2]:[c:3]-[C:4]-[N:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[N:5])=[O:6]	3	48252,53311,53707
+[S:1]=[N:2]-[C:3](=[O:4])-[c:5]:[c:7]:[n:6]>>[C:3](=[O:4])(-[c:5]:[c:7]:[n:6])-[O:8].[S:1]=[N:2]	3	48262,49448,53044
+[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[c:6]>>[C:1]-[C:2]#[C:3]-[C:4](-[O:5])-[c:6]	3	48297,53670,55125
+[c:1]-[C:2]-1-[C:3]-[O:4]-1>>[c:1]-[C:2](-[C:3]-[Br:5])=[O:4]	3	48339,53531,55506
+[c:1]:[c:2](-[N:3]-[c:4]):[n:5]:[c:6]:[c:7]>>[c:1]:[c:2](:[n:5]:[c:6]:[c:7])-[F:8].[N:3]-[c:4]	3	48653,49760,50209
+[c:1]:[c:2]:1:[c:3](:[c:4]):[s:5]:[c:6]:[c:7]:1-[C:8]>>[c:1]:[c:2]:[c:3](:[c:4])-[S:5]-[C:6]-[C:7](-[C:8])=[O:9]	3	48811,54598,55482
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:[c:6]:1>>[c:1]:1:[c:2](:[c:3]:[n:4]:[n:5]:[c:6]:1)-[Cl:7]	3	48968,51857,57347
+[c:1]-[C:2]-[C:3](-[C:4])-[N+:5]>>[c:1]-[C:2]=[C:3](-[C:4])-[N+:5]	3	48973,50987,56641
+[C:1]-[C:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Mg:8]-[Br:7].[C:1]-[C:2]=[O:3]	3	49129,51465,57024
+[c:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[c:1]-[C:2]#[C:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10]	3	49179,51060,55983
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[o:6]>>[C:1]-[C:2](-[O:3])-[c:4](:[c:5]):[o:6]	3	49488,53163,53329
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]:[n:7]):[s:8]>>[N:4]-[c:5](:[c:6]:[n:7]):[s:8].[c:1]-[C:2](=[O:3])-[Cl:9]	3	49849,51389,53597
+[c:1]:[c:2](-[C:3]-[O:4]):[o:5]>>[c:1]:[c:2](-[C:3]=[O:4]):[o:5]	3	50091,50730,54634
+[n:1]:[c:3](:[c:2])-[C:4]-[c:5]>>[n:1]:[c:3](:[c:2])-[C:4](-[c:5])-[O:6]	3	50655,53876,54762
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8](-[O:7]-[C:6]):[c:16]:[c:13]:1-[O:14]-[C:15]	3	50741,50743,51875
+[c:1]-[C:2]=[C:3]-[c:4]>>[C:3](-[c:4])=[O:13].[c:1]-[C:2]-[P+:18](-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)(-[c:17]:2:[c:11]:[c:12]:[c:14]:[c:15]:[c:16]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	3	51383,53053,53054
+[c:1]:[c:2]:1:[c:3](-[c:4]):[o:5]:[n:6]:[c:7]:1:[c:8]>>[c:1]:[c:2](-[C:3](-[c:4])=[O:5]):[c:7](-[N:6]):[c:8]	3	51963,52056,52059
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3])(-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)-[c:11]:2:[c:4]:[c:15]:[c:14]:[c:13]:[c:12]:2	3	52082,52083,52084
+[N:1]-[c:2]:[c:3]:[n:4]>>[N:1](-[c:2]:[c:3]:[n:4])=[C:9](-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:17]:[c:16]:1)-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2	3	52125,52130,52131
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[N:4](-[c:5])-[C:15](-[c:14]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)-[c:16]:2:[c:8]:[c:7]:[c:6]:[c:18]:[c:17]:2	3	52149,52160,56143
+[c:1]:1(:[n:2]:[c:3](:[c:4]):[c:6](:[c:5]):[c:7]:[c:8]:1)-[O:9]>>[C:1](-[N:2]-[c:3](:[c:4]):[c:6]:[c:5])(-[C:8]=[C:7]-[c:14]:1:[c:13]:[c:12]:[c:11]:[c:10]:[c:15]:1)=[O:9]	3	52206,52210,52211
+[C:1]-[C:2]=1-[N:3]-[n:4]:2:[c:5](-[C:6]-[C:7](-[C:8])=[O:9]):[n:10]:[c:11](-[C:12]):[c:13]:2-[C:14](=[O:15])-[N:16]=1>>[C:1]-[c:2]:1:[n:3]:[n:4]:[c:13](-[C:11](-[N:10]-[C:5](-[C:6]-[C:7](-[C:8])=[O:9])=[O:17])-[C:12]):[c:14](-[O:15]):[n:16]:1	3	52268,52269,53910
+[N:1](-[C:2])-[C:3]-[C:4](=[O:5])-[O:6]>>[N:1](-[C:2])(-[C:3]-[C:4](=[O:5])-[O:6])-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1	3	52321,52479,56322
+[C:1](=[O:2])-[C:3]=[C:4](-[c:5])-[O:6]-[c:7]>>[C:1](=[O:2])-[C:3]-[C:4](-[c:5])=[O:8].[O:6]-[c:7]	3	52721,53574,53575
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[O:6]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[O:6]-[C:7]	3	53286,55624,57143
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[c:6])-[O:7]	3	53676,56706,56787
+[c:1]:1:[c:2](:[c:3]):[n:6](:[c:5]:[c:4]):[n:7]:[c:8]:1-[c:9]>>[C:1](-[c:2](:[c:3]):[n:6]:[c:5]:[c:4])-[C:8](=[N:7]-[O:10])-[c:9]	3	53738,55116,57072
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:3](-[c:4])-[P+:18](-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)(-[c:17]:2:[c:11]:[c:12]:[c:14]:[c:15]:[c:16]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3.[C:1]-[C:2]=[O:13]	3	53816,53818,54248
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:8](-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:22]:[c:21]:1)(-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2)-[c:15]:3:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:3	3	56088,56089,56090
+[N:1]-[C:2]>>[N:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	3	56439,56447,56509
+[C:1]-[C:2](-[C:3]-[Br:5])=[O:4]>>[Br:5].[C:1]-[C:2](=[O:4])-[Cl:12].[C:3](-[Si:7](-[C:6])(-[C:8])-[C:9])=[N+:10]=[N-:11]	2	3,4
+[C:1](-[C:2]-[C:3]-[C:4](=[O:5])-[O:7]-[C:6])-[Br:8]>>[Br:8].[C:1]-1-[C:2]-[C:3]-[C:4](=[O:5])-[O:9]-1.[C:6]-[O:7]	2	13,39
+[C:1]-[C:2](-[Br:3])-[C:4](=[O:5])-[O:6]>>[Br:3].[C:1]-[C:2](-[C:4](=[O:5])-[O:6])-[N:7]	2	31,94
+[C:1]-[C:2](=[O:3])-[C:4]-[Br:5]>>[Br:5].[C:1]-[C:2](=[O:3])-[C:4]=[N+:7]=[N-:6]	2	74,107
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]-[C:9](-[C:10]-[Br:12])=[O:11]>>[Br:12]-[Br:13].[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6]-1(=[O:7])-[C:8]-[C:9](=[C:10])-[O:11]-1	2	141,144
+[C:1]=[C:2]-[C:3](-[C:4]-[Br:6])=[O:5]>>[Br:6]-[Br:7].[C:1]=[C:2]-[C:3](-[C:4])=[O:5]	2	181,361
+[C:1]-[C:7]=[C:5](-[C:3](-[C:2])=[O:4])-[Br:6]>>[Br:6]-[Br:8].[C:1]-[C:7]=[C:5]-[C:3](-[C:2])=[O:4]	2	227,358
+[c:1]:1:[c:2](-[Br:3]):[c:4]:[c:5]:[o:6]:1>>[Br:3]-[Br:7].[c:1]:1:[c:2]:[c:4]:[c:5]:[o:6]:1	2	261,364
+[c:1]:[c:2](-[Br:3]):[c:4]:[c:5]:[o:6]>>[Br:3]-[Br:7].[c:1]:[c:2]:[c:4]:[c:5]:[o:6]	2	293,339
+[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:1)-[Br:6]>>[Br:6]-[Br:7].[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1	2	344,385
+[N:1]-[C:2](-[C:3])=[C:4](-[C:5](=[O:6])-[N:7])-[Br:8]>>[Br:8]-[Br:9].[N:1]-[C:2](-[C:3])=[C:4]-[C:5](=[O:6])-[N:7]	2	386,387
+[N:1]-[C:2](-[C:3]-[Br:7])=[C:4](-[C:5])-[C:6]>>[Br:7]-[Br:8].[N:1]-[C:2](-[C:3])=[C:4](-[C:5])-[C:6]	2	411,439
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[Br:6]):[n:7]:1:[n:8]>>[Br:6]-[Br:9].[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:7]:1:[n:8]	2	453,454
+[n:1]:[c:2]:1:[c:3](:[c:4]:[n:5]:[n:6]:1)-[Br:7]>>[Br:7]-[Br:8].[n:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1	2	455,456
+[c:1](:[n:2]):[c:3]-[C:4]-[Br:5]>>[Br:5]-[C:7](-[Br:6])(-[Br:8])-[Br:9].[c:1](:[n:2]):[c:3]-[C:4]-[O:10]	2	516,524
+[C:1]-[C:2]-1(-[Br:3])-[C:4]-[C:5]-1(-[Br:6])-[Br:7]>>[C:5](-[Br:6])(-[Br:7])-[Br:8].[C:1]-[C:2](-[Br:3])=[C:4]	2	576,577
+[C:1]-[C:2]-[Br:3]>>[C:1]-[C:2](-[Br:3])-[Br:4]	2	583,584
+[C:1]-[C:2]#[C:3]-[C:4]-[O:5]-[c:6]>>[C:1]-[C:2]#[C:3]-[C:4]-[Br:7].[O:5]-[c:6]	2	598,600
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[s:7]>>[C:4](=[O:5])(-[C:6])-[Br:8].[c:1]:[c:2](-[N:3]):[s:7]	2	609,615
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[c:5](:[n:6]:1):[s:7]:[c:8](-[C:9](-[N:10])=[O:11]):[c:12]:2-[N:13]>>[C:8](-[C:9](-[N:10])=[O:11])-[Br:14].[c:1]:1:[c:2]:[c:3]:[c:4](:[c:5](:[n:6]:1)-[S:7])-[C:12]#[N:13]	2	629,31145
+[C:1](-[O:2]-[c:3])-[C:4](=[O:5])-[N:6]>>[C:1](-[C:4](=[O:5])-[N:6])-[Br:7].[O:2]-[c:3]	2	632,18864
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[C:1]-[C:2](-[O:3])=[O:7].[N:4](-[C:5])-[c:6]	2	638,49963
+[c:1]-1:[c:2]-[O:3]-[C:4]-[C:5]-[O:6]-1>>[C:4](-[C:5]-[Br:8])-[Br:7].[c:1](:[c:2]-[O:3])-[O:6]	2	731,752
+[c:1]-[C:2]-1(-[C:3]#[N:4])-[C:5]-[C:6]-[C:7]-1>>[C:5](-[C:6]-[C:7]-[Br:9])-[Br:8].[c:1]-[C:2]-[C:3]#[N:4]	2	786,806
+[O:1]-[C:2](=[O:3])-[C:4]-1(-[c:5])-[C:6]-[C:7]-[C:8]-[C:9]-1>>[C:6](-[C:7]-[C:8]-[C:9]-[Br:10])-[Br:11].[O:1]-[C:2](=[O:3])-[C:4]-[c:5]	2	818,834
+[O:1]=[C:2]-[C:5](=[C:4]-[O:3])-[O:6]-[C:7]-[C:8]>>[C:7](-[C:8])-[Br:9].[O:1]=[C:2]-[C:5](=[C:4]-[O:3])-[O:6]	2	821,2088
+[C:1](-[C:2]-1(-[c:3])-[C:4]-[C:5]-[C:6]-[C:7]-1)#[N:8]>>[C:4](-[C:5]-[C:6]-[C:7]-[Br:10])-[Br:9].[C:1](-[C:2]-[c:3])#[N:8]	2	839,843
+[O:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6]-[C:7])-[c:8]>>[C:6](-[C:7])-[Br:9].[O:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:8]	2	842,10811
+[C:1]#[C:2]-[C:3]-[O:4]-[C:5]-[C:6]>>[C:5](-[C:6])-[Br:7].[C:1]#[C:2]-[C:3]-[O:4]	2	855,1382
+[c:1]:[c:2](-[C:3]-[C:4]):[c:5]>>[C:3](-[C:4])-[Br:6].[c:1]:[c:2]:[c:5]	2	866,4060
+[c:1]:1-[C:2]-[N:3](-[C:4]-[c:5]:1)-[C:6]>>[c:1](-[C:2]-[Br:7]):[c:5]-[C:4]-[Br:8].[N:3]-[C:6]	2	905,2143
+[N:1]-1-[C:2]=[C:3]-[N:4]=[C:5](-[C:6]-1=[O:7])-[Br:8]>>[Br:8]-[P:10](=[O:9])(-[Br:11])-[Br:12].[N:1]-1-[C:2]=[C:3]-[N:4]-[C:5](-[C:6]-1=[O:7])=[O:13]	2	916,917
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1)-[Br:7]>>[Br:7]-[P:9](=[O:8])(-[Br:10])-[Br:11].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1)-[O:12]	2	922,923
+[n:1]:[c:2]:[c:3]-[C:4]-[Br:5]>>[Br:5]-[P:7](-[Br:6])-[Br:8].[n:1]:[c:2]:[c:3]-[C:4]-[O:9]	2	941,977
+[C:1]-[C:2](=[C:3])-[C:4]-[Br:5]>>[Br:5]-[P:7](-[Br:6])-[Br:8].[C:1]-[C:2](=[C:3])-[C:4]-[O:9]	2	942,958
+[C:1]-[C:2](=[C:3]-[C:4]-[Br:6])-[C:5]>>[Br:6]-[P:8](-[Br:7])-[Br:9].[C:1]-[C:2](-[C:3]=[C:4])(-[C:5])-[O:10]	2	946,949
+[c:1](:[n:2]:[c:3]:[c:4])(:[c:5])-[Br:6]>>[Br:6]-[P:8](-[Br:7])-[Br:9].[c:1](:[n:2]:[c:3]:[c:4])(:[c:5])-[O:10]	2	954,975
+[c:1]:[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1:[c:7]>>[c:1]:[c:2](-[C:3]):[c:6](-[N:5]):[c:7].[N:4](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:13]	2	1069,24397
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]:[n:7]):[c:8]):[c:9]:[n:10]:1>>[c:5](:[c:6]:[n:7])(:[c:8])-[Br:11].[c:1]:1:[c:2]:[n:3]:[c:4](:[c:9]:[n:10]:1)-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24]	2	1089,7549
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:8]:1)-[Br:9].[c:5](:[c:6])(:[c:7])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	2	1098,29156
+[C:1]-[C:2](-[O:3])(-[c:4]:1:[c:5]:[c:6]:[c:7]:[s:8]:1)-[C:9]>>[c:4]:1(:[c:5]:[c:6]:[c:7]:[s:8]:1)-[Br:10].[C:1]-[C:2](=[O:3])-[C:9]	2	1102,13331
+[C:1]-[C:2](-[O:3])-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:9].[C:1]-[C:2]=[O:3]	2	1122,43797
+[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[N:6]-[c:7](:[n:8]:[c:9]:[c:10]):[c:11]>>[c:7](:[n:8]:[c:9]:[c:10])(:[c:11])-[Br:12].[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[N:6]	2	1128,45631
+[n:1]:[c:2](-[N:3]-[c:4](:[c:5]):[c:7]:[n:6]):[n:8]>>[c:4](:[c:5])(:[c:7]:[n:6])-[Br:9].[n:1]:[c:2](-[N:3]):[n:8]	2	1146,1155
+[c:1]:1:[c:2]:[n:3](-[c:4](:[c:5]):[c:7]:[n:6]):[c:8](:[c:9]):[c:10]:1>>[c:4](:[c:5])(:[c:7]:[n:6])-[Br:11].[c:1]:1:[c:2]:[n:3]:[c:8](:[c:9]):[c:10]:1	2	1153,36478
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]):[c:9]:[n:8]):[c:10]:1>>[c:6](:[c:7])(:[c:9]:[n:8])-[Br:11].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:10]:1)-[B:13](-[O:12])-[O:14]	2	1158,29372
+[c:1](:[n:2]):[c:4](:[c:3])-[N:5](-[C:6])-[C:8](-[C:7])=[O:9]>>[c:1](:[n:2]):[c:4](:[c:3])-[Br:10].[N:5](-[C:6])-[C:8](-[C:7])=[O:9]	2	1162,13068
+[C:1]#[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1>>[c:3]:1(:[c:4]:[c:5]:[c:6]:[s:7]:1)-[Br:8].[C:1]#[C:2]	2	1164,24206
+[C:1](-[c:2](:[c:3]:[n:4]):[n:5])-[Cl:6]>>[C:1](-[c:2](:[c:3]:[n:4]):[n:5])-[O:8].[Cl:6]-[S:10](-[Cl:7])=[O:9]	2	1170,35795
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[C:6](-[C:7])=[O:9]):[c:8]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[Br:10].[C:6](-[C:7])(=[O:9])-[N:13](-[O:12]-[C:11])-[C:14]	2	1177,1178
+[C:1]=[C:2]-[C:3](=[O:4])-[N:6](-[O:5])-[C:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:8].[O:5]-[N:6]-[C:7]	2	1179,41510
+[c:1]:1:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]:[c:7]:[n:8]:[c:9]:1:[n:10]>>[c:1]:1:[c:2](:[c:6]:[c:7]:[n:8]:[c:9]:1:[n:10])-[Br:11].[B:3](-[O:4]-[C:16](-[C:17])-[C:18])(-[O:5]-[C:19](-[C:20])-[C:21])-[O:15]-[C:13](-[C:12])-[C:14]	2	1188,11362
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[c:6](:[c:7]):[c:8]):[n:9]:1:[c:10]:[c:11]>>[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](:[n:9]:1:[c:10]:[c:11])-[Br:12].[c:6](:[c:7])(:[c:8])-[B:14](-[O:13])-[O:15]	2	1205,53126
+[C:1]-[n:2]:1:[c:3](-[c:4]):[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:3](-[c:4])(=[O:10])-[O:11].[C:1]-[N:2]-[c:7](:[c:6](-[N:5]):[c:9]):[c:8]	2	1220,51563
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[c:7]):[s:8]):[n:9]>>[c:1](:[c:2](-[C:3](=[O:4])-[O:10]):[s:8]):[n:9].[N:5](-[C:6])-[c:7]	2	1255,52891
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](-[c:7]):[n:8]:[o:9]:1>>[O:1]-[C:2](=[O:3])-[C:4]#[C:5].[C:6](-[c:7])(=[N:8]-[O:9])-[Cl:10]	2	1275,1281
+[C:1]#[C:2]-[C:3]-[N:4]-[C:5](=[O:6])-[c:7]:[c:8]:[n:9]>>[C:1]#[C:2]-[C:3]-[N:4].[C:5](=[O:6])(-[c:7]:[c:8]:[n:9])-[O:10]	2	1276,17135
+[C:1]-[C:2]#[C:3]-[c:4]:1:[c:5]:[n:6]:[c:7]:[s:8]:1>>[C:1]-[C:2]#[C:3].[c:4]:1(:[c:5]:[n:6]:[c:7]:[s:8]:1)-[Br:9]	2	1278,1279
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1-[S:9]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7](:[c:6])-[N:8]-[S:9])-[I:10]	2	1280,8912
+[c:1]-[n:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[O:9]):[n:7]:[n:8]:1>>[C:3]#[C:4]-[C:5](=[O:6])-[O:9].[c:1]-[N:2]=[N+:8]=[N-:7]	2	1283,1284
+[C:1]#[C:2]-[C:3]-[C:4]-1-[C:5]-[C:6]=[C:7]-[C:8]-1=[O:9]>>[C:4]-1-[C:5]-[C:6]=[C:7]-[C:8]-1=[O:9].[C:1]#[C:2]-[C:3]-[Br:10]	2	1306,1322
+[c:1]:1:[c:2]:[c:3](-[C:4]#[C:5]):[c:6]:[c:7]:[n:8]:1>>[C:4]#[C:5].[c:1]:1:[c:2]:[c:3](:[c:6]:[c:7]:[n:8]:1)-[Br:9]	2	1440,20696
+[c:1](:[n:2]):[c:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[n:8]:1>>[N-:6]=[N+:7]=[N:8]-[Si:10](-[C:9])(-[C:11])-[C:12].[c:1](:[n:2]):[c:3]-[C:4]#[C:5]	2	1445,3436
+[s:1]:[c:2](-[c:3]:1:[c:4]:[n:5](-[C:6]):[n:7]:[n:8]:1):[n:9]>>[s:1]:[c:2](-[C:3]#[C:4]):[n:9].[N:5](-[C:6])=[N+:7]=[N-:8]	2	1453,39485
+[C:1]-[N:2]-[C:3](=[C:4](-[C:5])-[C:6])-[N:7]>>[C:3](=[C:4](-[C:5])-[C:6])(-[N:7])-[S:9]-[C:8].[C:1]-[N:2]	2	1474,41229
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1-[C:9]#[N:10]>>[C:1]-[C:2](=[C:8](-[C:6]#[N:7])-[C:9]#[N:10])-[O:13]-[C:12]-[C:11].[N:3]-[N:4]-[c:5]	2	1475,1476
+[N:1]#[C:2]-[c:3]:1:[c:4](-[S:5]):[n:6]:[c:7](-[N:8]):[c:9](-[C:10]#[N:11]):[c:12]:1-[c:13]>>[C:7](#[N:8])-[C:9](-[C:10]#[N:11])=[C:12]-[c:13].[N:1]#[C:2]-[C:3]-[C:4](=[S:5])-[N:6]	2	1479,41296
+[c:1]-[C:2](=[C:5](-[C:3]#[N:4])-[C:6]#[N:7])-[O:9]-[C:8]>>[c:1]-[C:2](-[C:5](-[C:3]#[N:4])-[C:6]#[N:7])=[O:9].[C:8]-[O:10]-[S:13](-[O:12]-[C:11])(=[O:14])=[O:15]	2	1480,41236
+[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5](=[O:6])-[N:7](-[C:8])-[c:9]:2:[n:10]:[c:11]:[n:12]:[n:13]-1:2>>[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:16]-[C:15]-[C:14])=[O:17].[N:7](-[C:8])-[c:9]:1:[n:10]:[c:11]:[n:12]:[n:13]:1	2	1515,54173
+[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5](=[O:6])-[N:7](-[C:8])-[c:9]:2:[c:10]:[c:11]:[n:12]:[n:13]-1:2>>[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:16]-[C:15]-[C:14])=[O:17].[N:7](-[C:8])-[c:9]:1:[c:10]:[c:11]:[n:12]:[n:13]:1	2	1516,10265
+[O:1]=[C:2]-[c:3]>>[C:2](-[c:3])#[N:4].[O:1]=[S:6](=[O:5])(-[O:7])-[O:8]	2	1517,45808
+[N:1]-[C:7](-[C:5](=[C:3](-[C:2])-[N:4])-[N:6])=[O:8]>>[N:1]-[C:7](-[C:5](=[C:3](-[C:2])-[N:4])-[N+:6](=[O:9])-[O-:10])=[O:8]	2	1520,16444
+[C:1](-[C:2]=[C:11])-[C:9](-[N:8]-[c:4]:1:[c:3]:[n:7]:[n:6]:[c:5]:1)=[O:10]>>[c:3]:1:[c:4](:[c:5]:[n:6]:[n:7]:1)-[N:8].[C:1](-[C:2]=[C:11])-[C:9](=[O:10])-[O:12]	2	1534,1535
+[C:1]=[C:2]-[C:3]-[C:4]-[O:5]-[c:6]>>[C:1]=[C:2]-[C:3]-[C:4]-[Br:7].[O:5]-[c:6]	2	1545,1546
+[C:1]-[C:2]-[n:3]:1:[n:4]:[n:5]:[c:6]:[n:7]:1>>[C:1]-[C:2]-[Br:8].[n:3]:1:[n:4]:[n:5]:[c:6]:[n:7]:1	2	1553,4062
+[O:1]-[C:2](-[C:3])-[C:5]-[O:4]>>[C:2](-[C:3])=[C:5].[O:4]=[Os:7](=[O:6])(=[O:8])=[O:9].[O:1]	2	1562,42911
+[c:1]-[O:2]-[C:5]-[C:3]=[C:4]>>[c:1]-[O:2].[C:3](=[C:4])-[C:5]-[I:6]	2	1563,1565
+[C:1]=[C:2]-[C:3]-[C:4](-[C:5])-[O:6]>>[C:4](-[C:5])=[O:6].[C:1]=[C:2]-[C:3]-[Mg:7]-[Br:8]	2	1584,1585
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1-[C:8]-[C:7]=[C:6]	2	1587,56897
+[C:1](-[C:2]-1-[C:3]-[C:4]-1-[c:5])(=[O:7])-[N:8]>>[C:3]-[S+:10](=[O:6])(-[C:9])-[C:11].[C:1](-[C:2]=[C:4]-[c:5])(=[O:7])-[N:8]	2	1591,33650
+[C:1]-[C:2](-[C:3](=[O:4])-[O:5])-[c:6]>>[C:1]-[C:2](-[C:3](=[O:4])-[O:5])(-[c:6])-[C:7]#[N:8]	2	1603,49683
+[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[N:6]-[C:7]>>[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[Cl:8].[N:6]-[C:7]	2	1607,1609
+[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[O:6]-[c:7]>>[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[Cl:8].[O:6]-[c:7]	2	1610,1611
+[C:1]-[C:2]-1=[N:3]-[C:4](-[N:5]-[C:6]-1=[S:9])(-[c:7])-[C:8]>>[C:1]-[C:2](-[C:6](-[N:5])=[S:9])=[O:10].[N:3]=[C:4](-[c:7])-[C:8]	2	1617,1618
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6](=[O:7])-[O:8])-[C:9]>>[c:1]-[C:2](=[O:3])-[O:10].[N:4](-[C:5]-[C:6](=[O:7])-[O:8])-[C:9]	2	1626,46803
+[c:1]:[c:2]:[n:3]:1:[c:4]:[c:5](-[C:6]):[n:7]:[c:8]:1:[c:9]>>[C:4](-[C:5](-[C:6])=[O:10])-[Br:11].[c:1]:[c:2]:[n:3]:[c:8](-[N:7]):[c:9]	2	1692,18583
+[C:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:10])-[C:8](-[O:7])=[O:9]>>[C:1]-[C:2](=[O:3])-[Cl:11].[C:4](-[C:5](=[O:6])-[O:10])-[C:8](-[O:7])=[O:9]	2	1718,3175
+[c:1]-[C:2](-[N:3]-[N:4]-[C:5](-[C:6])=[O:8])=[O:7]>>[c:1]-[C:2](=[O:7])-[Cl:9].[N:3]-[N:4]-[C:5](-[C:6])=[O:8]	2	1723,26381
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[O:2]-[C:3](=[O:4])-[C:5]=[C:6].[C:1]-[O:7]	2	1744,32849
+[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])-[C:8](=[O:7])-[O:9].[C:1]-[C:2]=[O:10]	2	1754,1756
+[C:1](=[O:2])(-[C:3]=[C:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[O:10]>>[C:1](=[O:2])(-[C:3]-[C:12](=[O:11])-[O:13])-[O:10].[C:4](-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)=[O:14]	2	1758,1773
+[C:1](=[O:2])(-[C:3]=[C:4]-[c:5](:[n:6]):[c:7])-[O:8]>>[C:1](=[O:2])(-[C:3]-[C:10](=[O:9])-[O:11])-[O:8].[C:4](-[c:5](:[n:6]):[c:7])=[O:12]	2	1769,1770
+[c:1]:[c:2](-[C:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[Br:5].[C:3]-[Zn:7]-[C:6]	2	1786,26023
+[O:1]-[C:2](=[O:3])-[n:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:1>>[O:1]-[C:2](=[O:3])-[Cl:9].[n:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:1	2	1824,49461
+[O:1]-[C:2](=[O:3])-[N:4](-[c:5])-[S:6]>>[O:1]-[C:2](=[O:3])-[Cl:7].[N:4](-[c:5])-[S:6]	2	1830,1841
+[O:1]-[C:2](=[O:3])-[N:4](-[N:5]-[C:6]=[O:7])-[c:8]>>[O:1]-[C:2](=[O:3])-[Cl:9].[N:4](-[N:5]-[C:6]=[O:7])-[c:8]	2	1850,30801
+[O:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N:4]-[S:5]	2	1856,29911
+[C:1]-[C:2](-[C:3](=[O:4])-[O:7])(-[C:5]-[C:6])-[C:9](-[O:8])=[O:10]>>[C:1]-[C:2](-[C:3](=[O:4])-[O:7])-[C:9](-[O:8])=[O:10].[C:5](-[C:6])-[Br:11]	2	1869,29847
+[C:1](-[c:2](:[c:3]:[n:4]):[n:5])(=[O:6])-[N:8](-[O:7])-[C:9]>>[C:1](-[c:2](:[c:3]:[n:4]):[n:5])(=[O:6])-[O:10].[O:7]-[N:8]-[C:9]	2	1885,41549
+[C:1]-[C:2]-1=[C:3](-[C:4]=[O:5])-[N:6]-[C:7](=[O:8])-[N:9]-[C:10]-1=[O:11]>>[C:1]-[c:2]:1:[c:3](-[C:4]=[O:5]):[n:6]:[c:7](-[O:8]-[C:12]):[n:9]:[c:10]:1-[O:11]-[C:13]	2	1887,50555
+[C:1](=[O:2])-[O:7]-[C:3](-[C:4])=[N:5]-[c:6]>>[C:1](=[O:2])-[O:7].[C:3](-[C:4])(-[N:5]-[c:6])=[O:8]	2	1900,55646
+[O:1]=[C:2](-[N:3]-[C:4]-[C:5]=[C:6])-[c:7]:[c:8]:[n:9]>>[O:1]=[C:2](-[c:7]:[c:8]:[n:9])-[O:10].[N:3]-[C:4]-[C:5]=[C:6]	2	1939,1941
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[c:7](:[n:8]:[c:9]:[c:10]):[c:11]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1.[c:7](:[n:8]:[c:9]:[c:10])(:[c:11])-[F:12]	2	1950,40622
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6]>>[C:1]-[N:2]=[C:3]=[O:4].[O:5]-[C:6]	2	1979,1987
+[S:1]-[N:2]=[C:3]=[O:4]>>[C:3](=[O:4])=[N:9]-[C:8]-[C:7]-[C:6]-[C:5].[S:1]-[N:2]	2	1989,1992
+[s:1]:[c:2](-[N:3]-1-[C:4]-[C:5]-[N:6]-[C:7]-1=[O:8]):[n:9]>>[C:4](-[C:5]-[N:6]=[C:7]=[O:8])-[Cl:10].[s:1]:[c:2](-[N:3]):[n:9]	2	2005,2014
+[O:1]-[C:2](-[C:3])-[C:4]-1=[C:5](-[O:6])-[C:7](=[O:8])-[C:9]=[C:10]-[O:11]-1>>[O:1]=[C:2]-[C:3].[C:4]-1=[C:5](-[O:6])-[C:7](=[O:8])-[C:9]=[C:10]-[O:11]-1	2	2018,2019
+[C:1]-[C:2](-[c:8]:1:[c:3]:[c:4]:[n:5]:[c:6]:[c:7]:1)-[O:9]>>[C:1]-[C:2]=[O:9].[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:[c:8]:1	2	2039,29807
+[C:1](-[C:2]=[O:3])-[N:4](-[C:5])-[C:6](=[O:7])-[N:8]-[c:9](:[n:10]):[s:11]>>[C:6](=[O:7])=[N:8]-[c:9](:[n:10]):[s:11].[C:1](-[C:2]=[O:3])-[N:4]-[C:5]	2	2049,2052
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5](:[n:6]):[c:7]):[c:8]:[s:9]:1>>[C:4](-[c:5](:[n:6]):[c:7])(-[C:8]-[Br:11])=[O:10].[N:1]-[C:2](-[N:3])=[S:9]	2	2071,27462
+[C:1]-[C:2](=[C:3]-[C:4]-[N:5](-[C:6])-[C:7])-[C:8]>>[C:1]-[C:2](=[C:3]-[C:4]-[Br:9])-[C:8].[N:5](-[C:6])-[C:7]	2	2072,3110
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[N:6]-[C:7]-[C:8]-1=[O:9]>>[C:1]-[C:2]-[Br:10].[N:3]-1-[C:4](=[O:5])-[N:6]-[C:7]-[C:8]-1=[O:9]	2	2103,10790
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[N:6])-[c:7]>>[C:1]-[C:2]-[Br:8].[N:3](-[C:4](=[O:5])-[N:6])-[c:7]	2	2112,6821
+[C:1]-[C:2]-[C:3]-[C:4]>>[C:1]-[C:2]-[Br:6].[C:3](-[C:4])-[Br:5]	2	2118,4255
+[c:1]-1:[c:2]-[O:3]-[C:4]-[O:5]-1>>[C:4](-[Cl:6])-[Br:7].[c:1](:[c:2]-[O:3])-[O:5]	2	2128,2129
+[c:1]:[c:2]:1-[C:3](=[O:4])-[N:5](-[C:6]-[c:7])-[N:8]=[C:9]-[c:10]:1:[c:11]>>[C:6](-[c:7])-[Br:12].[c:1]:[c:2]:1:[c:3](-[O:4]):[n:5]:[n:8]:[c:9]:[c:10]:1:[c:11]	2	2146,25513
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[c:7]>>[C:6](-[c:7])-[Br:8].[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1	2	2151,54488
+[C:1]-[N:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])-[Br:7].[C:1]-[N:2]	2	2158,6207
+[C:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[n:6]:[c:7](-[S:8]-[C:9]-[c:10]):[n:11]:1>>[C:9](-[c:10])-[Br:12].[C:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6]-[C:7](=[S:8])-[N:11]-1	2	2167,6428
+[c:1]:[c:2](:[n:3])-[N:4](-[C:5](=[O:6])-[C:7])-[c:8]>>[C:5](=[O:6])(-[C:7])-[Cl:9].[c:1]:[c:2](:[n:3])-[N:4]-[c:8]	2	2173,14391
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]#[N:4].[O:3]	2	2196,42925
+[C:1]-[C:2]-[S:3]-[c:4](:[n:5]):[n:6]>>[C:1]-[C:2]-[Cl:7].[S:3]-[c:4](:[n:5]):[n:6]	2	2197,25726
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5]):[s:6]>>[c:1]:[c:2](-[C:3]#[C:4]-[C:5]):[s:6]	2	2198,28692
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]#[N:5].[O:3]=[S:7](=[O:6])(-[O:8])-[O:9].[O:4]	2	2201,40336
+[C:1]-[C:2]-[C:3](-[C:4]#[N:5])(-[c:6])-[C:7]-[C:8]>>[C:3](-[C:4]#[N:5])-[c:6].[C:1]-[C:2]-[Cl:9].[C:7](-[C:8])-[Cl:10]	2	2208,6526
+[c:1]-[N:2]-1-[N:3]=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]>>[c:1]-[N:2]-[N:3]=[C:4]-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[O:12]-[C:11]-[C:10]	2	2216,27598
+[C:1](-[C:2])(-[C:3]-[N:4](-[C:5])-[C:8]-[C:7]=[C:6])=[O:9]>>[N:4](-[C:5])-[C:8]-[C:7]=[C:6].[C:1](-[C:2])(-[C:3]-[Cl:10])=[O:9]	2	2230,2243
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:2:[c:6]:1:[n:7]:[c:8](-[C:9]):[c:10]:2>>[C:8](-[C:9])(-[C:10]-[Cl:12])=[O:11].[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:[c:6]:1-[N:7]	2	2232,2251
+[c:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:[s:7]:1>>[C:4](-[C:5])(-[C:6]-[Cl:8])=[O:9].[c:1]-[C:2](-[N:3])=[S:7]	2	2242,17239
+[c:1]-[c:2]:1:[n:3]:[c:4](-[C:5]-[C:6](=[O:9])-[O:10]):[c:7]:[o:8]:1>>[C:4](-[C:5]-[C:6](=[O:9])-[O:10])(-[C:7]-[Cl:12])=[O:11].[c:1]-[C:2](-[N:3])=[O:8]	2	2254,2255
+[C:1]-[C:2](-[C:3]-[O:4]-[C:5])=[O:6]>>[O:4]-[C:5].[C:1]-[C:2](-[C:3]-[Cl:7])=[O:6]	2	2256,12624
+[O:1]=[C:2](-[C:3]-[c:4]:1:[c:5]:[s:6]:[c:7](-[c:8]:2:[c:9]:[n:10]:[n:11]:[c:12]:2):[n:13]:1)-[O:14]>>[S:6]=[C:7](-[c:8]:1:[c:9]:[n:10]:[n:11]:[c:12]:1)-[N:13].[O:1]=[C:2](-[C:3]-[C:4](-[C:5]-[Cl:16])=[O:15])-[O:14]	2	2258,2261
+[O:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[c:7](-[C:8]):[c:9]:1>>[O:1]=[C:2](-[C:9]-[C:7](-[C:8])=[O:13])-[O:12]-[C:11]-[C:10].[N:3]-[C:4](-[C:5])=[N:6]	2	2262,5501
+[O:1]=[C:2]-1-[C:3]=[C:4](-[C:5])-[c:8](:[c:7]-[O:6]-1):[c:9]>>[O:1]=[C:2](-[C:3]-[C:4](-[C:5])=[O:13])-[O:12]-[C:11]-[C:10].[O:6]-[c:7]:[c:8]:[c:9]	2	2265,2267
+[O:1]=[C:2](-[O:3]-[C:4])-[C:5]-[C:6]=[O:7]>>[O:1]=[C:2](-[C:5]-[C:6]=[O:7])-[O:10]-[C:9]-[C:8].[O:3]-[C:4]	2	2271,3790
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]=[C:7]>>[C:1]-[C:2](=[O:3])-[Cl:8].[N:4]-[C:5]-[C:6]=[C:7]	2	2283,4761
+[C:1]-[N:5](-[C:2]-[C:3](-[N:4])=[O:9])-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[Cl:10].[C:1]-[N:5]-[C:2]-[C:3](-[N:4])=[O:9]	2	2303,4027
+[O:1]=[C:2]-[O:7]-[C:5](=[N:4]-[c:3])-[C:6]>>[C:5](-[C:6])(=[O:8])-[Cl:9].[O:1]=[C:2]-[O:7].[c:3]-[N:4]	2	2370,29679
+[C:1]-[C:2](-[c:3]:1:[c:4]:[n:5]:[c:6](:[n:7]):[c:8]:1)=[O:10]>>[C:1]-[C:2](-[Cl:9])=[O:10].[c:3]:1:[c:4]:[n:5]:[c:6](:[n:7]):[c:8]:1	2	2394,2404
+[c:1]-[C:3](-[c:2])-[S:4]-[C:5]>>[S:4]-[C:5].[c:1]-[C:3](-[c:2])-[O:6]	2	2478,2479
+[N:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6](:[c:7]:[s:8]):[n:9])-[S:10]>>[C:5](-[c:6](:[c:7]:[s:8]):[n:9])=[O:11].[N:1]-[C:2](=[O:3])-[C:4]-[S:10]	2	2491,2492
+[C:1](=[O:2])(-[C:3]-[N:4]-[C:5](=[O:6])-[C:7])-[O:8]>>[C:5](-[O:6])(-[C:7])=[O:9].[C:1](=[O:2])(-[C:3]-[N:4])-[O:8]	2	2495,44071
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5](:[c:6]:[n:7]):[n:8]):[n:9]:[o:10]:1>>[C:1]-[C:2](=[O:11])-[O:16]-[C:13](=[O:12])-[C:14]-[Cl:15].[N:3]=[C:4](-[c:5](:[c:6]:[n:7]):[n:8])-[N:9]-[O:10]	2	2505,2506
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[N:6]-[c:7]>>[N:6]-[c:7].[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[Br:8]	2	2507,2792
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[n:6]:1:[c:7]:[c:8]:[c:9]:[c:11]:1:[c:10]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[Br:12].[n:6]:1:[c:7]:[c:8]:[c:9]:[c:11]:1:[c:10]	2	2513,21497
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5](-[C:6](=[O:7])-[N:8])-[c:9]>>[N:5](-[C:6](=[O:7])-[N:8])-[c:9].[N:1]-[C:2](=[O:3])-[C:4]-[Br:10]	2	2529,49269
+[c:1]:[c:2](-[O:3]-[C:4]-[C:5](=[O:6])-[O:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[O:9].[O:3]-[C:4]-[C:5](=[O:6])-[O:7]	2	2538,55053
+[C:1]-[c:2]:1:[c:3](-[C:4]-[C:5](-[O:6])=[O:11]):[n:7]:[c:8](-[c:9]):[o:10]:1>>[C:1]-[C:2](-[C:3](-[C:4]-[C:5](-[O:6])=[O:11])=[O:12])-[Br:13].[N:7]-[C:8](-[c:9])=[O:10]	2	2550,5544
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[c:7]:1>>[C:1]-[C:2](-[C:7]-[C:5]#[N:6])=[O:8].[N:3]-[N:4]	2	2571,12078
+[c:1](:[c:2](-[C:3](=[O:4])-[Cl:5]):[n:6]):[o:7]>>[Cl:5]-[C:11](-[C:9](=[O:8])-[Cl:10])=[O:12].[c:1](:[c:2](-[C:3](=[O:4])-[O:13]):[n:6]):[o:7]	2	2589,2699
+[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[Cl:6]>>[Cl:6]-[C:10](-[C:8](=[O:7])-[Cl:9])=[O:11].[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:12]	2	2619,2729
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6](=[O:7])-[Cl:8]>>[Cl:8]-[C:12](-[C:10](=[O:9])-[Cl:11])=[O:13].[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6](=[O:7])-[O:14]	2	2640,2665
+[n:1]:[c:2]:[c:3](-[C:4](=[O:6])-[Cl:7]):[n:5]>>[Cl:7]-[C:11](-[C:9](=[O:8])-[Cl:10])=[O:12].[n:1]:[c:2]:[c:3](-[C:4](=[O:6])-[O:13]):[n:5]	2	2641,2647
+[c:1]:[c:2]:[n:3]:[c:4](-[Cl:5]):[c:6]>>[Cl:5]-[C:10](-[C:8](=[O:7])-[Cl:9])=[O:11].[c:1]:[c:2]:[n:3]:[c:4](:[c:6])-[O:12]	2	2652,2653
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5](=[O:6])-[c:7](:[c:8]-1):[c:9]>>[C:3](=[O:4])(-[C:5](=[O:6])-[Cl:11])-[Cl:10].[C:1]-[N:2]-[c:8]:[c:7]:[c:9]	2	2659,2664
+[c:1](:[c:2]-[C:3](=[O:4])-[Cl:6]):[s:5]>>[Cl:6]-[C:10](-[C:8](=[O:7])-[Cl:9])=[O:11].[c:1](:[c:2]-[C:3](=[O:4])-[O:12]):[s:5]	2	2674,2681
+[N:1]-1-[C:2](=[O:3])-[C:4](=[C:5]-[S:6]-1)-[Cl:7]>>[Cl:7]-[C:11](-[C:9](=[O:8])-[Cl:10])=[O:12].[N:1]-1-[C:2](=[O:3])-[C:4](=[C:5]-[S:6]-1)-[O:13]	2	2677,2716
+[O:1]=[C:2](-[C:3](-[C:6]=[C:4]-[c:5])=[O:8])-[O:7]>>[O:1]=[C:2](-[C:3](-[C:6])=[O:8])-[O:7].[C:4](-[c:5])=[O:9]	2	2774,2775
+[o:1]:[c:2]:[c:3]-[C:4]-1=[C:5](-[c:6]:[c:7]:[n:8])-[C:9](=[O:10])-[N:11]-[C:12]-1=[O:13]>>[C:5](-[c:6]:[c:7]:[n:8])(-[C:9](=[O:10])-[O:15]-[C:14])=[O:16].[o:1]:[c:2]:[c:3]-[C:4]-[C:12](-[N:11])=[O:13]	2	2781,32432
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:12])-[C:6](-[c:7])-[C:8]-[C:9](=[O:10])-[N:11]-1>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:12])=[O:20].[C:6](-[c:7])=[O:21].[N:11].[C:8]-1-[C:9](=[O:10])-[O:19]-[C:14](-[C:13])(-[C:15])-[O:16]-[C:17]-1=[O:18]	2	2785,2787
+[C:1]-[C:2](-[C:3](=[O:4])-[O:9])-[N:8](-[C:5](-[C:6])=[O:10])-[c:7]>>[C:1]-[C:2](-[C:3](=[O:4])-[O:9])-[Br:11].[C:5](-[C:6])(-[N:8]-[c:7])=[O:10]	2	2794,2798
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5]=[O:6])-[Cl:7]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5]=[O:6].[Cl:7]-[S:9](=[O:8])(=[O:10])-[Cl:11]	2	2819,45439
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[O:8])-[C:6]=[O:7]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:6]=[O:7].[C:5](-[O:8])(-[O:13]-[C:12]-[C:11])-[O:14]-[C:9]-[C:10]	2	2827,31067
+[c:1](:[n:2]):[c:3]-[C:4]-[N:5]=[N+:7]=[N-:6]>>[c:1](:[n:2]):[c:3]-[C:4]-[Cl:8].[N-:5]=[N+:7]=[N-:6]	2	2844,47914
+[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[c:7]:2:[c:8]-1:[n:9]:[c:10]:[n:11]:2>>[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[C:7](=[C:8]-1-[N:9])-[N:13].[C:10](-[N:11])=[N:12]	2	2854,41751
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5](:[c:6]):[n:7]):[c:8]:[s:9]:1>>[C:1]-[C:2](-[N:3])=[S:9].[C:4](-[c:5](:[c:6]):[n:7])(-[C:8]-[Br:11])=[O:10]	2	2861,3694
+[C:1]-[N:2](-[C:3](-[C:4])-[c:5])-[C:6]>>[C:3](-[C:4])(-[c:5])-[O:7].[C:1]-[N:2]-[C:6]	2	2862,14674
+[C:1]-[C:2]-1=[N:3]-[O:4]-[C:5](=[O:6])-[N:7]-1>>[C:1]-[C:2](-[N:3]-[O:4])=[N:7].[C:5](=[O:6])(-[n:10]:1:[c:9]:[c:8]:[n:17]:[c:16]:1)-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	2	2901,23767
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[c:6](:[c:7]:[n:8]):[c:10]-1:[n:9]>>[C:1]-[N:2]-[c:10](:[c:6](-[N:5]):[c:7]:[n:8]):[n:9].[C:3](=[O:4])(-[n:13]:1:[c:12]:[c:11]:[n:20]:[c:19]:1)-[n:14]:2:[c:15]:[c:16]:[n:17]:[c:18]:2	2	2910,6984
+[c:1]:[c:8]:[n:7]:[c:3](:[c:2])-[c:4](:[c:5]):[c:6]>>[c:1]:[c:8]:[n:7]:[c:3](:[c:2])-[I:9].[c:4](:[c:5])(:[c:6])-[B:11](-[O:10])-[O:12]	2	2911,46713
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:11]:[c:10](:[n:5]:1)-[N:6]-[c:7]:[c:9]:[n:8]>>[c:1]:[c:4]:1:[c:3](:[c:2]):[n:11]:[c:10](:[n:5]:1)-[Cl:12].[N:6]-[c:7]:[c:9]:[n:8]	2	2915,2917
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5](-[C:6])-[C:7])-[c:8]>>[C:1]-[C:2](=[O:3])-[N:4]-[c:8].[C:5](-[C:6])(-[C:7])-[I:9]	2	2939,26925
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2](-[C:3]-[c:4](:[c:5]):[c:7](:[c:6])-[N+:8](=[O:10])-[O-:11])=[O:9]	2	2946,50901
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[c:6](-[C:7]#[N:8]):[c:9](-[O:10]):[n:11]:1>>[C:1]-[C:2](-[C:3]-[C:4](-[C:5])=[O:13])=[O:12].[C:6](-[C:7]#[N:8])-[C:9](=[O:10])-[N:11]	2	2948,10586
+[C:1]-[C:2]-1(-[C:3])-[N:4]-[C:5](=[O:6])-[c:7](:[c:8]-[N:10]-1):[s:9]>>[C:1]-[C:2](-[C:3])=[O:11].[N:4]-[C:5](=[O:6])-[c:7](:[c:8]-[N:10]):[s:9]	2	2951,22530
+[c:1]:[c:2]:1-[C:3](-[C:4](-[C:5])-[C:6]-[c:7]:1:[c:8])=[O:9]>>[c:1]:[c:2]:[c:7]:[c:8].[C:3](-[C:4](-[C:5])(-[C:6])-[Br:11])(=[O:9])-[Br:10]	2	2965,17173
+[C:1]=[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]=[C:2]-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[c:3](:[c:4])(:[c:5])-[O:7]-[S:26](=[O:6])(-[C:8](-[F:9])(-[F:10])-[F:11])=[O:25]	2	2977,2978
+[N:1]-[C:2](=[O:3])-[C:4]-[O:5]-[C:6](=[O:7])-[C:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[Cl:9].[O:5]-[C:6](=[O:7])-[C:8]	2	3014,31913
+[C:1](=[O:2])-[C:3]-[C:4](-[C:5](=[O:6])-[O:7])-[O:8]>>[C:1](=[O:2])-[C:3]=[C:4](-[C:5](=[O:6])-[O:7])-[O:8]	2	3016,3291
+[C:1]-[C:2](-[N:3])=[O:4]>>[N:3](-[C:6]-[C:5])(-[C:7]-[C:8])-[C:9]-[C:10].[C:1]-[C:2](=[O:4])-[O:11]	2	3038,3042
+[c:1]:[c:2](-[C:3]=[O:5]):[n:4]>>[c:1]:[c:2](-[C:3](-[O:5])-[C:7]-[O:6]):[n:4]	2	3083,23797
+[C:1]=[C:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:18].[C:1]=[C:2]-[B:16]-1-[O:15]-[B:12](-[O:11]-[B:10](-[C:9]=[C:8])-[O:17]-1)-[C:13]=[C:14]	2	3087,21385
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[O:8]-[C:7].[C:1]-[N:2]-[C:3]	2	3097,14911
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]-[S:6]>>[C:1]-[N:2]-[C:3].[C:4]=[C:5]-[S:6]	2	3104,14582
+[C:1]-[N:2](-[C:3])-[C:4](-[C:5])-[C:6]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(-[C:6])-[Cl:7]	2	3138,4781
+[O:1]-[B:2]-[O:3]>>[O:1](-[B:2]-[O:3])-[C:4]-[C:5]	2	3154,30520
+[c:1]:[c:2]:1-[C:3](-[O:4])=[C:5](-[C:6](=[O:7])-[O:12])-[C:8](=[O:9])-[C:10]-[c:11]:1>>[c:1]:[c:2]:[c:11]-[C:10]-[C:8](-[C:5](-[C:3](=[O:4])-[O:15]-[C:14]-[C:13])-[C:6](=[O:7])-[O:12])=[O:9]	2	3158,10141
+[c:1]:1-[O:2]-[C:3](=[O:4])-[C:5](-[C:6](=[O:7])-[O:8])=[C:9]-[c:10]:1>>[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[O:8])-[O:13]-[C:12]-[C:11].[c:1](-[O:2]):[c:10]-[C:9]=[O:14]	2	3172,3173
+[C:1](=[O:2])(-[C:3](=[C:4](-[O:5])-[c:6])-[C:8](-[N:7])=[O:9])-[O:10]>>[C:1](=[O:2])(-[C:3]-[C:14](-[O:13]-[C:12]-[C:11])=[O:15])-[O:10].[C:4](=[O:5])(-[c:6])-[O:16]-[C:8](-[N:7])=[O:9]	2	3177,3199
+[C:1](-[C:2](=[O:3])-[O:9])(-[c:4](:[c:5]):[n:8]:[c:7]:[c:6])-[C:11](-[O:10])=[O:12]>>[C:1](-[C:2](=[O:3])-[O:9])-[C:11](-[O:10])=[O:12].[c:4](:[c:5])(:[n:8]:[c:7]:[c:6])-[Cl:13]	2	3181,3188
+[C:1](=[O:2])(-[C:3](-[C:4](=[O:5])-[O:10])-[C:7](-[C:6])=[O:8])-[O:9]>>[C:1](=[O:2])(-[C:3]-[C:4](=[O:5])-[O:10])-[O:9].[C:6]-[C:7](=[O:8])-[O:11]	2	3194,22565
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[c:9](:[c:8]):[n:10]:2)-[O:11]>>[C:1](-[c:6]:1:[c:5](-[N:4]):[n:10]:[c:9](:[c:7]:1):[c:8])(=[O:11])-[O:14]-[C:13]-[C:12].[N:2]-[C:3]=[O:15]	2	3222,44596
+[c:1]-[C:2]-1-[C:3]-[C:4]-1>>[C:3]=[N+:6]=[N-:5].[c:1]-[C:2]=[C:4]	2	3224,16774
+[C:1]-[C:2](=[C:3](-[C:4]-[N:5](-[C:6])-[C:7]-[C:8](=[O:9])-[O:10])-[N:11])-[C:12]>>[C:1]-[C:2](=[C:3](-[C:4]-[Br:13])-[N:11])-[C:12].[N:5](-[C:6])-[C:7]-[C:8](=[O:9])-[O:10]	2	3284,3285
+[C:1]-[C:2](-[N:3]-1-[C:4](=[O:5])-[C:6]=[C:7]-[N:8]-[C:9]-1=[O:10])-[c:11]>>[N:3]-1-[C:4](=[O:5])-[C:6]=[C:7]-[N:8]-[C:9]-1=[O:10].[C:1]-[C:2](-[c:11])-[O:12]	2	3288,10352
+[C:1](-[C:2]-1=[C:3](-[O:4])-[C:5](-[c:6](:[c:7]):[s:8])=[N:9]-[N:10](-[C:11]-[C:12])-[C:13]-1=[O:14])(-[O:15])=[O:16]>>[C:1](-[c:2]:1:[c:3](-[O:4]):[c:5](-[c:6](:[c:7]):[s:8]):[n:9]:[n:10]:[c:13]:1-[O:14])(-[O:15])=[O:16].[C:11](-[C:12])-[Br:17]	2	3323,3324
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[c:8](:[c:9]):[c:10]>>[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[Cl:11].[c:8](:[c:9])(:[c:10])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	2	3340,3349
+[c:1]-1:[c:2](-[N:3]=[c:4](:[c:5]):[n:8](:[c:7]:[c:6])-[C:9]-1=[O:10]):[s:11]>>[c:1](:[c:2](-[N:3]):[s:11])-[C:9](=[O:10])-[O:12]-[C:15]-[C:14].[c:4](:[c:5])(:[n:8]:[c:7]:[c:6])-[Cl:13]	2	3365,27667
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[c:7](:[c:8]):[c:9]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1.[c:7](:[c:8])(:[c:9])-[Br:10]	2	3373,54706
+[c:1](:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]:[n:7]):[c:8]:[n:9]>>[c:1](:[c:2](:[c:6]:[n:7])-[Br:10]):[c:8]:[n:9].[N:3](-[C:4])-[C:5]	2	3380,19664
+[c:1](:[c:2](-[Cl:3]):[c:4]):[c:5]:[n:6]>>[c:1](:[c:2]:[c:4]):[c:5]:[n:6].[Cl:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	2	3381,44344
+[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1-[C:7]-[O:8]>>[C:7](-[O:8])-[Cl:9].[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1	2	3387,33919
+[n:1]:[c:4]:1:[c:3](:[n:2]):[c:8](:[n:7]:[c:6]:[c:5]:1)-[N:9]-[c:10]>>[n:1]:[c:4]:1:[c:3](:[n:2]):[c:8](:[n:7]:[c:6]:[c:5]:1)-[Cl:11].[N:9]-[c:10]	2	3403,3404
+[c:1](:[c:2](:[c:3]:[n:4])-[Br:7]):[c:5]:[n:6]>>[c:1](:[c:2]:[c:3]:[n:4]):[c:5]:[n:6].[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	2	3408,8302
+[c:1]:[c:2](-[I:3]):[c:4]:[c:5]:[n:6]>>[c:1]:[c:2](:[c:4]:[c:5]:[n:6])-[N:7].[I:3]	2	3410,40436
+[C:1]-[C:2](-[N:3])=[S:4]>>[C:1]-[C:2]#[N:3].[S:4]=[P:8](-[O:7]-[C:6]-[C:5])(-[O:9])-[S:10]-[C:11]-[C:12]	2	3423,7499
+[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n:7]:[c:8]:1-[N:9]):[n:10]>>[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n:7]:[c:8]:1-[Cl:11]):[n:10].[N:9]	2	3461,40892
+[N:1]-1-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:12])=[C:7](-[O:8])-[c:9](:[n:10]):[c:11]-1>>[N:1](-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:12])-[c:11]:[c:9](-[C:7](=[O:8])-[O:15]-[C:14]-[C:13]):[n:10]	2	3466,50089
+[O:1]-[N:2]-[c:8]:1:[c:3]:[c:4]:[n:5]:[c:6]:[n:7]:1>>[O:1]-[N:2].[c:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:[c:8]:1-[Cl:9]	2	3469,24819
+[c:1]:1:[c:2]:[s:3]:[c:4](-[c:5]:2:[c:6]:[c:7]:[c:8]:[s:9]:2):[c:10]:1>>[c:1]:1:[c:2]:[s:3]:[c:4](:[c:10]:1)-[I:16].[c:5]:1(:[c:6]:[c:7]:[c:8]:[s:9]:1)-[Sn:21](-[C:12]-[C:13]-[C:14]-[C:15])(-[C:20]-[C:19]-[C:18]-[C:17])-[C:22]-[C:23]-[C:24]-[C:11]	2	3477,29934
+[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[O:7])-[c:6]>>[C:3](-[C:4](=[O:5])-[O:7])-[P:11](-[O:10]-[C:9]-[C:8])(=[O:12])-[O:13]-[C:14]-[C:15].[C:1]-[C:2](-[c:6])=[O:16]	2	3487,3503
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]=[C:7]-[C:8](=[O:9])-[O:10]>>[C:7](-[C:8](=[O:9])-[O:10])-[P:14](-[O:13]-[C:12]-[C:11])(=[O:15])-[O:16]-[C:17]-[C:18].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]=[O:19]	2	3491,3492
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]:[c:7]:[n:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:12](-[O:11]-[C:10]-[C:9])(=[O:13])-[O:14]-[C:15]-[C:16].[C:5](-[c:6]:[c:7]:[n:8])=[O:17]	2	3498,3502
+[c:1]-[C:2]=[C:3]-[C:4]>>[c:1]-[C:2]-[P:8](-[O:7]-[C:6]-[C:5])(=[O:9])-[O:10]-[C:11]-[C:12].[C:3](-[C:4])=[O:13]	2	3511,22601
+[O:1]-[C:2]-1-[C:3]-[C:4]-1>>[C:4]-[C:8]-[Zn:7]-[C:6]-[C:5].[O:1]-[C:2]=[C:3]	2	3520,3522
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:9]-[C:7](-[N:6])=[O:8]>>[N:4](-[C:5])-[C:9]-[C:7](-[N:6])=[O:8].[c:1]-[C:2](=[O:3])-[O:10]	2	3529,13080
+[c:1]:1:[c:2](:[c:3]):[n:4](-[C:5]-[C:6]-[c:7]:[c:9]:[n:8]):[c:10]:[c:11]:1>>[c:1]:1:[c:2](:[c:3]):[n:4]:[c:10]:[c:11]:1.[C:5]=[C:6]-[c:7]:[c:9]:[n:8]	2	3541,14651
+[N:1]-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[N:7]-[C:8]>>[N:1]-[C:2](=[S:3])-[N:4].[N:7]-[C:8].[C:5](=[O:6])(-[C:9])-[O:10]	2	3545,6160
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[C:1]-[N:2].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:14](-[C:10])(-[C:11])-[C:13]	2	3560,4408
+[C:1](-[C:2]-[N:3]-[c:4]:1:[c:5](:[n:6]):[c:8](:[n:7]):[n:9]:[c:10]:[n:11]:1)=[C:12]>>[C:1](-[C:2]-[N:3])=[C:12].[c:4]:1(:[c:5](:[n:6]):[c:8](:[n:7]):[n:9]:[c:10]:[n:11]:1)-[Br:13]	2	3581,29756
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5])-[C:7](-[C:6])=[O:8]>>[C:1]=[C:2]-[C:3]-[Br:9].[N:4](-[C:5])-[C:7](-[C:6])=[O:8]	2	3592,3605
+[C:1]=[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]=[C:2]-[C:3]-[Br:7].[c:4](:[c:5])(:[c:6])-[Br:8]	2	3639,3646
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5](-[C:6])=[O:7]):[n:8]>>[c:1]:[c:2](-[N:3]-[C:5](-[C:6])=[O:7]):[n:8].[C:4]-[I:9]	2	3669,18512
+[C:1](-[C:2]-[N:3]=[N+:6]=[N-:5])=[O:4]>>[C:1](-[C:2]-[Br:7])=[O:4].[N-:3]=[N+:6]=[N-:5]	2	3691,48043
+[O:1]=[C:2](-[O:3])-[C:4]-1(-[c:5])-[C:6]-[C:7]-1>>[C:6](-[C:7]-[Br:11])-[Cl:10].[O:1]-[C:8]-[C:9]-[O:3].[C:2](-[C:4]-[c:5])#[N:12]	2	3726,3727
+[c:1]-[S:2](=[O:3])(=[O:4])-[C:5]-[C:6]>>[C:5](-[C:6])-[Br:7].[c:1]-[S:2](=[O:3])-[O:4]	2	3759,10783
+[O:1](-[C:2])-[C:4](-[O:3])-[C:5]>>[O:1]-[C:2].[O:3]-[C:4]=[C:5]	2	3792,9176
+[c:1]:[c:2]:1:[n:3]:[c:4](-[N:5]):[c:6](-[C:7]#[N:8]):[c:9](:[c:10]:1:[c:11])-[O:12]>>[N:5]#[C:17]-[C:16]-[C:6](-[C:7]#[N:8])-[O:15].[c:1]:[c:2]:1-[N:3]-[C:4](=[O:13])-[O:14]-[C:9](-[c:10]:1:[c:11])=[O:12]	2	3813,3814
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](-[O:7])(-[c:8])=[O:9]	2	3818,46813
+[C:1](=[O:2])(-[C:3])-[O:4]>>[C:1](-[O:2])-[C:3].[O:4]	2	3833,43006
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[c:7]:1-[C:8]>>[C:1]-[C:2](-[C:7](-[C:5](-[C:6])=[O:10])-[C:8])=[O:9].[N:3]-[N:4]	2	3836,18667
+[C:1]-[S:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[S:2]-[Sn:16](-[C:7]-[C:8]-[C:9]-[C:10])(-[C:15]-[C:14]-[C:13]-[C:12])-[C:17]-[C:18]-[C:19]-[C:6].[c:3](:[c:4])(:[c:5])-[I:11]	2	3847,29916
+[n:1]:[c:2]:[c:3]-[N:4]-[c:5](:[c:6]):[c:8]:[n:7]>>[n:1]:[c:2]:[c:3]-[N:4].[c:5](:[c:6])(:[c:8]:[n:7])-[Br:9]	2	3866,39935
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(-[O-:6])=[O:11].[C:1]-[C:2](=[O:3])-[O:10]-[C:8](-[C:7])=[O:9]	2	3879,16952
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[n:8]:[c:7]:[c:6]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[n:8]:[c:7]:[c:6])-[I:9]	2	3906,17264
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2]#[N:3].[N-:4]=[N+:5]=[N:6]-[Si:8](-[C:7])(-[C:9])-[C:10]	2	3909,7320
+[C:1]-[C:2](-[O:3])-[C:4]=[O:5]>>[C:1]-[C:2](-[C:4]=[O:5])-[Br:6].[O:3]-[C:7]	2	3934,32997
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]=[C:7]):[n:8]:1>>[C:1]-[C:2](-[N:3]-[O:4])=[N:8].[C:5](-[C:6]=[C:7])(=[O:9])-[O:10]	2	3945,6275
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[n:7]):[c:8]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6](:[n:7]):[c:8])-[O:11]-[C:10]-[C:9]	2	3959,19470
+[C:1]=[C:2](-[c:3](:[c:4]):[c:5])-[O:6]>>[C:1]=[C:2](-[O:6])-[Sn:17](-[C:8]-[C:9]-[C:10]-[C:11])(-[C:16]-[C:15]-[C:14]-[C:13])-[C:18]-[C:19]-[C:20]-[C:7].[c:3](:[c:4])(:[c:5])-[Br:12]	2	3970,3979
+[C:1]=[C:2](-[O:3])-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[C:1]=[C:2](-[O:3])-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:9]	2	3971,3978
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]:[n:6]):[c:7]>>[C:1]=[C:2](-[O:3]-[C:22]-[C:23])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:4](:[c:5]:[n:6])(:[c:7])-[Br:8]	2	3975,3983
+[C:1](-[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6]:[c:7]:1)(-[O:8])=[C:17]>>[C:1](-[O:8])(=[C:17])-[Sn:22](-[C:12]-[C:13]-[C:14]-[C:15])(-[C:21]-[C:20]-[C:19]-[C:18])-[C:23]-[C:9]-[C:10]-[C:11].[c:2]:1(:[n:3]:[c:4]:[n:5]:[c:6]:[c:7]:1)-[Cl:16]	2	3976,3986
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[N+:4](=[N-:5])=[N:6]-[Sn:11](-[C:10]-[C:9]-[C:8]-[C:7])(-[C:12]-[C:13]-[C:14]-[C:15])-[C:16]-[C:17]-[C:18]-[C:19].[C:1]-[C:2]#[N:3]	2	3993,3997
+[C:1]-[N:5](-[C:3](-[C:2])=[O:4])-[C:6](=[O:7])-[c:8]>>[C:1]-[N:5]-[C:3](-[C:2])=[O:4].[C:6](=[O:7])(-[c:8])-[Cl:9]	2	4033,44453
+[C:1]-[C:2]-[N:3]-[c:4]>>[C:1]-[C:2]-[I:5].[N:3]-[c:4]	2	4041,17254
+[n:1]:[c:4]:[c:3](:[n:2])-[N:8](-[C:6](-[N:5])=[O:7])-[C:9]-[C:10]>>[C:9](-[C:10])-[I:11].[n:1]:[c:4]:[c:3](:[n:2])-[N:8]-[C:6](-[N:5])=[O:7]	2	4042,29887
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1>>[C:1]-[N:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1)-[O:16]-[S:13](-[c:12]:2:[c:10](:[c:9]:[c:21](:[c:19]:[c:17]:2-[C:18])-[C:20])-[C:11])(=[O:14])=[O:15]	2	4049,4239
+[O:1]=[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6]:[o:7]:1>>[c:3]:1:[c:4]:[c:5]:[c:6]:[o:7]:1.[O:1]=[C:2]-[N:9](-[C:8])-[C:10]	2	4086,32138
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2]-[O:20].[N:3](=[N+:5]=[N-:4])-[P:7](=[O:6])(-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2	2	4089,24668
+[C:1](=[O:2])(-[C:3])-[O:11]-[N:10]-1-[C:5](=[O:4])-[C:6]-[C:7]-[C:8]-1=[O:9]>>[C:1](=[O:2])(-[C:3])-[O:19].[O:4]=[C:5]-1-[C:6]-[C:7]-[C:8](=[O:9])-[N:10]-1-[O:11]-[C:15](-[N:13](-[C:12])-[C:14])=[N+:16](-[C:17])-[C:18]	2	4142,18252
+[C:1]-[S:2]-[C:3]>>[S:2]-[C:3].[C:1]-[I:4]	2	4149,17491
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](-[O:4])(-[c:5])=[O:6]	2	4164,20537
+[n:1]:1:[n:2]:[c:3]:2:[c:4]:[n:5]:[c:6]-3:[c:7](-[C:8]-[C:9]-[C:10]-[C:11]-3):[c:12]:2:[c:13]:1>>[n:1]:1:[n:2]:[c:3]:2:[c:4]:[n:5]:[c:6]:3:[c:7](:[c:8]:[c:9]:[c:10]:[c:11]:3):[c:12]:2:[c:13]:1	2	4201,31342
+[c:1]:[c:2](-[C:3]-[C:4]=[C:7]):[c:5]:[n:6]>>[C:3](-[C:4]=[C:7])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:1]:[c:2](:[c:5]:[n:6])-[Br:8]	2	4279,4280
+[c:1]:[c:3](:[c:2])-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:[c:9]:1>>[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:[c:9]:1)-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22].[c:1]:[c:3](:[c:2])-[I:23]	2	4286,4287
+[O:1]=[C:2](-[c:3]:1:[n:4]:[o:5]:[c:6](-[C:7]):[c:8]:1)-[O:9]>>[O:1]=[C:2](-[C:3](-[C:8]-[C:6](-[C:7])=[O:11])=[O:10])-[O:9].[N:4]-[O:5]	2	4289,26428
+[N:1](-[C:2])-[C:3]-[c:4](:[n:5]):[n:6]>>[C:3](-[c:4](:[n:5]):[n:6])-[Cl:7].[N:1]-[C:2]	2	4318,25154
+[c:1]:[c:2](-[O:3]-[C:4]):[c:5](:[c:6]:[n:7]):[c:9]:[n:8]>>[O:3]-[C:4].[c:1]:[c:2](:[c:5](:[c:6]:[n:7]):[c:9]:[n:8])-[O:10]	2	4351,18588
+[n:1]:[n:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:7]:1-[N:8]-[C:9]>>[N:8]-[C:9].[n:1]:[n:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:7]:1-[Cl:10]	2	4409,13643
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5](-[C:6])=[C:7](-[C:8])-[C:9]-1=[O:10]>>[C:3]-1(=[O:4])-[C:5](-[C:6])=[C:7](-[C:8])-[C:9](=[O:10])-[O:11]-1.[C:1]-[N:2]	2	4411,6865
+[C:1]-[C:2](=[N:3])-[N:7](-[C:5](-[c:4])=[O:6])-[C:8]>>[C:1]-[C:2](=[N:3])-[O:9]-[C:5](-[c:4])=[O:6].[N:7]-[C:8]	2	4420,41855
+[C:1]-[N:2]-1-[C:3]=[N:4]-[c:5](:[c:6]-[C:7]-1=[O:8]):[s:9]>>[C:1]-[N:2].[C:3](=[N:4]-[c:5](:[c:6]-[C:7](=[O:8])-[O:12]-[C:11]-[C:10]):[s:9])-[O:13]-[C:14]-[C:15]	2	4427,5911
+[c:1]:[c:2](-[N:3]-[C:4]):[c:5]>>[N:3]-[C:4].[c:1]:[c:2](:[c:5])-[I:6]	2	4467,11943
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]-[C:7]=[C:8]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6]-[C:7]=[C:8])-[O:9]	2	4513,13799
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[C:1]-[N:2]-[C:3].[C:4]=[C:5]-[C:6](=[O:7])-[O:8]	2	4517,18084
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6](=[C:7])-[C:8]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6](=[C:7])-[C:8])-[O:9]	2	4518,5035
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6](-[C:7](=[O:8])-[N:9]-[c:10])-[C:11])-[C:12]>>[C:3]-1(=[O:4])-[C:5](=[C:6](-[C:7](=[O:8])-[N:9]-1-[c:10])-[C:11])-[C:12].[C:1]-[N:2]	2	4574,12231
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[F:9]	2	4583,37063
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[c:8]>>[C:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[O:9])-[Cl:10].[c:6](:[c:7]):[c:8]	2	4584,30164
+[n:1]:[c:6](:[c:2])-[C:5]=[C:3]-[c:4]>>[n:1]:[c:6](:[c:2])-[C:5]=[O:20].[C:3](-[c:4])-[P+:25](-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)(-[c:24]:2:[c:18]:[c:19]:[c:21]:[c:22]:[c:23]:2)-[c:26]:3:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:3	2	4638,23002
+[c:1]:[c:2](:[n:3])-[S:5](-[C:4])(=[O:6])=[O:7]>>[c:1]:[c:2](:[n:3])-[S:5]-[C:4].[O:6]=[C:14](-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:9](-[Cl:8]):[c:16]:1)-[O:15]-[O:7]	2	4655,36682
+[n:1]:[c:2]:[c:3](-[S:4]-[C:5]):[c:6]>>[S:4]-[C:5].[n:1]:[c:2]:[c:3](:[c:6])-[Br:7]	2	4673,5336
+[c:1]:[c:3](:[n:2])-[C:4]-[S:5]-[C:6]>>[S:5]-[C:6].[c:1]:[c:3](:[n:2])-[C:4]-[Cl:7]	2	4677,47467
+[C:1]-[Sn:2](-[C:3])(-[C:4])-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]>>[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Br:10].[C:1]-[Sn:2](-[C:3])(-[C:4])-[Cl:11]	2	4702,4706
+[C:1]-[S:2]-[Sn:5](-[C:3])(-[C:4])-[C:6]>>[C:3]-[Sn:5](-[C:4])(-[C:6])-[Cl:7].[C:1]-[S:2]	2	4707,4710
+[c:1](:[n:2]:[c:3](-[c:4]:1:[c:5]:[n:6]:[c:7]:[o:8]:1):[c:9]):[c:10]>>[c:4]:1(:[c:5]:[n:6]:[c:7]:[o:8]:1)-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[c:1](:[n:2]:[c:3](:[c:9])-[Br:11]):[c:10]	2	4717,4718
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])#[N:4].[O:3]=[P:6]-[O:5]	2	4726,44278
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]):[s:6]>>[c:1]:[c:2](-[C:3]=[O:4]):[s:6].[O:5]	2	4753,43014
+[c:1]-[C:2](-[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)=[O:9]>>[c:1]-[C:2](=[O:9])-[Cl:10].[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1	2	4770,42524
+[C:1](-[c:2])(-[N:3]-[c:4]:[c:5]:[s:6])=[O:7]>>[C:1](-[c:2])(=[O:7])-[Cl:8].[N:3]-[c:4]:[c:5]:[s:6]	2	4776,42752
+[N:1]-[C:2](=[O:3])-[c:4]:[c:6]:[n:5]>>[C:2](=[O:3])(-[c:4]:[c:6]:[n:5])-[Cl:7].[N:1]	2	4785,38926
+[c:1]:1:[c:2]:2:[c:3](:[n:4]:[c:5]:[c:6]:1):[s:7]:[c:8](:[c:9]:2-[N:10])-[C:12](-[N:11])=[O:13]>>[c:1]:1:[c:2](:[c:3](:[n:4]:[c:5]:[c:6]:1)-[S:7])-[C:9]#[N:10].[C:8](-[C:12](-[N:11])=[O:13])-[Cl:14]	2	4797,39648
+[O:1]=[C:2](-[C:3]-[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[n:8])-[N:10]>>[O:1]=[C:2](-[C:3]-[Cl:11])-[N:10].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[n:8]	2	4800,12907
+[N:1](-[C:2]-[c:3](:[c:4]):[c:5])-[C:7](=[O:6])-[C:8]>>[N:1](-[C:2]-[O:9])-[C:7](=[O:6])-[C:8].[c:3](:[c:4]):[c:5]	2	4804,37549
+[C:1]-[C:2](-[O:3])-[c:4](:[n:5]):[c:7]:[n:6]>>[C:1]-[C:2](=[O:3])-[c:4](:[n:5]):[c:7]:[n:6]	2	4817,24304
+[C:1](=[O:2])-[N:3](-[C:4]-[C:5])-[C:6]>>[C:4](-[C:5])-[Br:7].[C:1](=[O:2])-[N:3]-[C:6]	2	4841,10774
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1>>[C:1]-[C:2]-[Cl:8].[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1	2	4889,53731
+[N:1]-1-[C:2]-[C:3]-[N:4](-[c:5]:[c:7]:[n:6])-[C:8]-1=[O:9]>>[N:1](-[C:2]-[C:3]-[Cl:10])-[C:8](-[N:4]-[c:5]:[c:7]:[n:6])=[O:9]	2	4890,49722
+[S:1]-[C:2]-[O:3]-[c:4]>>[S:1]-[C:2]-[Cl:5].[O:3]-[c:4]	2	4892,4893
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5]-[c:6]:[c:8]:[n:7])-[C:9]>>[C:5](-[c:6]:[c:8]:[n:7])-[Cl:10].[C:1]-[C:2](=[O:3])-[N:4]-[C:9]	2	4898,16315
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7]>>[C:3](-[c:4]:[c:6]:[n:5])-[Cl:8].[C:1]-[N:2]-[C:7]	2	4899,4902
+[c:1]:[c:3](:[n:2])-[S:4]-[C:5]-[c:6]>>[C:5](-[c:6])-[Cl:7].[c:1]:[c:3](:[n:2])-[S:4]	2	4901,49701
+[C:1](=[O:2])(-[C:3]-[N:4]-[C:5](-[C:6])=[O:7])-[O:8]>>[C:5](-[C:6])(=[O:7])-[O:9]-[C:11](-[C:10])=[O:12].[C:1](=[O:2])(-[C:3]-[N:4])-[O:8]	2	4939,17036
+[N:1]-[c:2]:1:[n:3]:[c:4](-[C:5](=[C:6])-[C:8](-[O:7])=[O:9]):[c:10]:[s:11]:1>>[N:1]-[C:2](-[N:3])=[S:11].[C:4](-[C:5](=[C:6])-[C:8](-[O:7])=[O:9])(-[C:10]-[Br:13])=[O:12]	2	4948,32405
+[C:1](=[C:2]-[N+:3])(-[N:4]-[C:5])-[S:6]>>[N:4]-[C:5].[C:1](=[C:2]-[N+:3])(-[S:6])-[S:8]-[C:7]	2	4975,26264
+[N:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[S:7](=[O:8])(=[O:9])-[c:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:6]-[C:5].[S:7](=[O:8])(=[O:9])(-[c:10])-[Cl:11]	2	5017,20629
+[c:1]:1:[c:2]:[s:3]:[c:4](-[c:5]:2:[n:6]:[n:7]:[c:8]:[c:9]:2):[n:10]:1>>[c:1]:1:[c:2]:[s:3]:[c:4](:[n:10]:1)-[Br:11].[c:5]:1(:[n:6]:[n:7]:[c:8]:[c:9]:1)-[B:13](-[O:12])-[O:14]	2	5018,30837
+[C:1]-[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]-[C:2](-[C:3](=[O:4])-[O:5])-[C:7](=[O:6])-[O:8]	2	5067,16089
+[n:1]:[c:6]:[c:5]:[c:3](:[c:2])-[O:4]>>[n:1]:[c:6]:[c:5]:[c:3](:[c:2])-[N:7].[O:4]	2	5077,42942
+[N:1]-[C:2](=[O:3])-[C:4]-[O:5]-[C:6](=[O:7])-[O:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[O:5].[C:6](=[O:7])(-[O:8])-[Cl:9]	2	5096,55084
+[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:7]-[C:8]-[C:9](=[O:10])-[O:11]):[n:12]>>[O:7]-[C:8]-[C:9](=[O:10])-[O:11].[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:13]):[n:12]	2	5105,5110
+[C:1]-[C:2]-[C:3]-[c:4]:[c:6]:[n:5]>>[C:1]-[C:2]#[C:3]-[c:4]:[c:6]:[n:5]	2	5197,19875
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[c:6]):[n:7]:1-[C:8]>>[N:7]-[C:8].[C:1]-[C:2](-[C:3]-[C:4]-[C:5](-[c:6])=[O:10])=[O:9]	2	5254,54271
+[c:1]:[c:2]:[n:3](-[C:4]-1=[C:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[C:11]=[C:12]-1):[c:13]>>[C:9](-[C:10])-[I:14].[c:1]:[c:2]:[n:3](-[c:4]:1:[c:5]:[c:6](-[O:7]):[n:8]:[c:11]:[c:12]:1):[c:13]	2	5288,30040
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]-1=[C:7]-[N:8]-[N:9]-[C:10]-1=[O:11]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6]-1=[C:7]-[N:8]-[N:9]-[C:10]-1=[O:11])-[Cl:12]	2	5298,9750
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6])-[O:9]-[C:8]-[C:7]	2	5308,32629
+[N:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:6]):[c:7]:[n:8]:[n:9]:1-[C:10]>>[N:1]#[C:2]-[C:3](-[C:4](=[O:5])-[O:6])=[C:7]-[O:13]-[C:12]-[C:11].[N:8]-[N:9]-[C:10]	2	5323,5889
+[C:1]-[n:2]:1:[n:3]:[c:4]:[c:5](:[c:6]:1-[C:7])-[C:9](-[C:8])=[O:10]>>[C:1]-[N:2]-[N:3].[C:4](=[C:5](-[C:6](-[C:7])=[O:14])-[C:9](-[C:8])=[O:10])-[N:12](-[C:11])-[C:13]	2	5325,31993
+[c:1](:[n:2]:[c:3](-[S:4]-[C:5]):[c:6]):[c:7]>>[S:4]-[C:5].[c:1](:[n:2]:[c:3](:[c:6])-[F:8]):[c:7]	2	5333,47456
+[c:1]:1:[n:2]:[c:3]:[c:4](-[S:5]-[C:6]):[n:7]:[c:8]:1:[c:9]>>[S:5]-[C:6].[c:1]:1:[n:2]:[c:3]:[c:4](:[n:7]:[c:8]:1:[c:9])-[Cl:10]	2	5335,15228
+[c:1]:1:[c:2]:2:[c:3]:[c:4](-[C:5]):[c:6]:[c:7](-[O:8]-[C:9]-[c:10]):[n:11]:2:[n:12]:[c:13]:1>>[C:9](-[c:10])-[O:14].[c:1]:1:[c:2]:2-[C:3]=[C:4](-[C:5])-[C:6]-[C:7](=[O:8])-[n:11]:2:[n:12]:[c:13]:1	2	5354,34741
+[C:1](=[O:2])(-[C:3]-1=[C:4](-[O:5])-[c:6]:2:[c:7]:[c:8]:[c:9]:[n:10]:2-[N:11]-[C:12]-1=[O:13])-[O:14]>>[C:1](=[O:2])(-[C:3](-[C:4](=[O:5])-[O:20]-[C:21]-[C:22])-[C:18](-[O:17]-[C:16]-[C:15])=[O:19])-[O:14].[c:6]:1:[c:7]:[c:8]:[c:9]:[n:10]:1-[N:11]-[C:12](=[O:13])-[O:27]-[C:24](-[C:23])(-[C:25])-[C:26]	2	5415,5416
+[O:1]=[C:2](-[O:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[O:1]=[C:2](-[O:3])-[C:4]-[C:5](=[O:6])-[Cl:9].[N:7]-[c:8]	2	5426,34809
+[c:1]-[N:2]-[N:3]=[C:4](-[C:5](=[O:6])-[N:7])-[C:8]#[N:9]>>[C:4](-[C:5](=[O:6])-[N:7])-[C:8]#[N:9].[N:3](-[O:10])=[O:11].[c:1]-[N:2]	2	5439,5440
+[N:1]-[C:2]>>[N:1](-[C:2])-[C:6](-[O:5]-[C:4]-[C:3])=[O:7]	2	5443,56227
+[N:1]-[C:2](=[O:3])-[C:4](-[Br:5])=[C:6]-[N:7]>>[N:1]-[C:2](=[O:3])-[C:4]=[C:6]-[N:7].[Br:5]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	2	5444,8090
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](-[C:6]):[c:8](:[n:9]:1)-[O:10])-[C:7]>>[C:4](-[C:5](-[C:6])-[C:8](=[O:10])-[O:13]-[C:12]-[C:11])(-[C:7])=[O:14].[C:1]-[C:2](-[N:3])=[N:9]	2	5463,41724
+[c:1]:1(:[n:2]:[c:3](-[N:4]):[n:5]:[c:6](:[c:7]:1-[C:8])-[C:9])-[O:10]>>[C:1](-[C:7](-[C:6](-[C:9])=[O:14])-[C:8])(=[O:10])-[O:13]-[C:12]-[C:11].[N:2]-[C:3](-[N:4])=[N:5]	2	5464,42020
+[O:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[c:7](:[c:8]:1-[C:9])-[C:10]>>[O:1]=[C:2](-[C:8](-[C:7](-[C:10])=[O:14])-[C:9])-[O:13]-[C:12]-[C:11].[N:3]-[C:4](-[C:5])=[N:6]	2	5465,41720
+[c:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:1:2>>[c:1]-[N:2]-[c:10]:1:[c:5](-[N:4]):[c:6]:[c:7]:[c:8]:[n:9]:1.[C:3](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19]	2	5468,31071
+[c:1]:1:[c:2]:[s:3]:[c:4]:2:[n:5]:[c:6](-[C:7]):[c:8](:[c:9](-[N:10]):[c:11]:1:2)-[C:13](=[O:12])-[O:14]>>[C:6](-[C:7])(-[C:8]-[C:13](=[O:12])-[O:14])=[O:15].[c:1]:1:[c:2]:[s:3]:[c:4](-[N:5]):[c:11]:1-[C:9]#[N:10]	2	5490,5509
+[C:1]-[c:2]:1:[c:3](-[C:4](-[O:5])=[O:10]):[c:6](-[c:7]):[n:8]:[o:9]:1>>[C:1]-[C:2](-[C:3]-[C:4](-[O:5])=[O:10])=[O:12].[C:6](-[c:7])(=[N:8]-[O:9])-[Cl:11]	2	5494,10587
+[C:1](-[C:2]-[C:3](=[O:4])-[N:5]-[c:6])(-[C:7])=[O:8]>>[C:1](-[C:2]-[C:3](=[O:4])-[O:11]-[C:10]-[C:9])(-[C:7])=[O:8].[N:5]-[c:6]	2	5497,5513
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5](-[C:6])-[N:7]-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:9].[N:7]-[c:8]	2	5498,33886
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:6])-[C:7](-[c:8])-[N:9]-[C:10](=[O:11])-[N:12]-1-[c:13]>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:6])=[O:14].[N:9]-[C:10](=[O:11])-[N:12]-[c:13].[C:7](-[c:8])=[O:15]	2	5499,16547
+[C:1]-1(-[C:2]-[C:3](-[C:4])=[N:5]-[c:6]:2:[n:7]:[c:8]:[n:9]:[n:10]-1:2)=[O:11]>>[C:1](-[C:2]-[C:3](-[C:4])=[O:15])(=[O:11])-[O:14]-[C:13]-[C:12].[N:5]-[c:6]:1:[n:7]:[c:8]:[n:9]:[n:10]:1	2	5508,5510
+[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:8])-[C:6]-[C:7]=[O:10])=[O:9]>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:8])=[O:9].[C:6](-[C:7]=[O:10])-[Br:11]	2	5517,9326
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:6])-[C:7](-[c:8])-[c:9]:2:[c:10]:[n:11]:[n:12]:[c:13]:2-[N:14]-1>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:6])=[O:15].[c:9]:1:[c:10]:[n:11]:[n:12]:[c:13]:1-[N:14].[C:7](-[c:8])=[O:16]	2	5523,5524
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[C:7]>>[C:5](=[O:6])(-[C:7])-[Cl:8].[O:1]-[C:2](=[O:3])-[C:4]-[C:10](=[O:9])-[O:11]	2	5525,5528
+[C:1](=[O:2])(-[C:3]-[C:4](=[O:5])-[N:6]-[c:7])-[O:8]>>[C:1](=[O:2])(-[C:3]-[C:4](=[O:5])-[O:9])-[O:8].[N:6]-[c:7]	2	5541,26412
+[O:1]=[C:2](-[C:3]-[C:4]=[O:7])-[N:6]-[c:5]>>[O:1]=[C:2](-[C:3]-[C:4]=[O:7])-[O:10]-[C:9]-[C:8].[c:5]-[N:6]	2	5549,20660
+[C:1]-[C:2]-[N:3](-[C:4])-[c:5](:[n:6]):[c:7]>>[N:3](-[C:4])-[c:5](:[n:6]):[c:7].[C:1]-[C:2]-[I:8]	2	5565,11214
+[C:1]-[C:2](-[C:3])=[N:4]-[N:5]>>[C:1]-[C:2](-[C:3])=[O:6].[N:4]-[N:5]	2	5569,12345
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2].[C:3](-[C:4])-[O:15]-[S:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[N+:6](=[O:5])-[O-:7]):[c:17]:[c:16]:1)(=[O:13])=[O:14]	2	5594,34541
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[O:9])-[C:10]>>[C:3](=[O:4])=[N:5]-[C:6]-[C:7](=[O:8])-[O:9].[C:1]-[N:2]-[C:10]	2	5625,10553
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[s:6]:1>>[C:4](-[C:5]-[Br:13])(-[O:9]-[C:8]-[C:7])-[O:10]-[C:11]-[C:12].[C:1]-[C:2](-[N:3])=[S:6]	2	5666,5672
+[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5]:[c:6]:[n:7]:1>>[C:5](-[C:6]-[Br:15])(-[O:11]-[C:10]-[C:9])-[O:12]-[C:13]-[C:14].[c:1]:[c:8](:[n:4]:[c:3]:[c:2])-[N:7]	2	5668,5669
+[c:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[N+:10](=[O:9])-[O-:11]	2	5694,37073
+[c:1]:[c:2]:1:[n:3]:[c:4](-[O:5]):[c:6](-[C:7](=[O:8])-[O:12]):[c:9]:[c:10]:1:[c:11]>>[C:4](=[O:5])(-[C:6]-[C:7](=[O:8])-[O:12])-[O:14]-[C:13].[c:1]:[c:2](-[N:3]):[c:10](-[C:9]=[O:15]):[c:11]	2	5699,5704
+[c:1](:[n:2]):[c:4](:[n:3])-[N:5]-[S:6](=[O:7])(=[O:8])-[c:9]>>[c:1](:[n:2]):[c:4](:[n:3])-[N:5].[S:6](=[O:7])(=[O:8])(-[c:9])-[Cl:10]	2	5719,45927
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:2:[o:11]:1>>[N:4]-[c:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:1-[O:11].[C:1]-[N:2]=[C:3]=[S:12]	2	5781,10426
+[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[Br:6]>>[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[C:8](=[O:7])-[O:9].[Br:6]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15]	2	5798,8077
+[n:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6](:[c:7]:1-[O:8]-[C:10])-[C:12](=[O:11])-[O:13]):[c:9]>>[n:1]:[c:2](-[N:3]-1-[N:4]=[C:5]-[C:6](-[C:7]-1=[O:8])-[C:12](=[O:11])-[O:13]):[c:9].[C:10]-[O:14]	2	5800,10225
+[c:1]:[c:2](:[c:3])-[C:4]-[C:5](-[C:6])=[O:7]>>[c:1]:[c:2](:[c:3])-[Br:8].[C:4]-[C:5](-[C:6])=[O:7]	2	5802,17461
+[N:1]-[C:8](-[C:7]-[N:3](-[C:2])-[c:4](:[c:5]):[c:6])=[O:9]>>[N:1]-[C:8](-[C:7]-[N:3]-[C:2])=[O:9].[c:4](:[c:5])(:[c:6])-[F:10]	2	5815,30277
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[n:6]):[n:7]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[n:6]):[n:7])-[O:16]-[S:13](-[c:12]:1:[c:11]:[c:10]:[c:9](-[C:8]):[c:18]:[c:17]:1)(=[O:14])=[O:15]	2	5816,21645
+[C:1]-[N:2](-[C:3])-[c:4]:1:[n:5]:[n:6]:[c:7]:[n:8]:1>>[C:1]-[N:2]-[C:3].[c:4]:1(:[n:5]:[n:6]:[c:7]:[n:8]:1)-[Br:9]	2	5820,13040
+[C:1](=[C:2])-[C:3]-[O:4]-[C:5]-[O:6]>>[C:5](-[O:6])-[Cl:7].[C:1](=[C:2])-[C:3]-[O:4]	2	5834,5865
+[C:1](-[c:2](:[c:3]):[c:4])-[Cl:5]>>[C:1](-[Cl:5])-[O:7]-[C:6].[c:2](:[c:3]):[c:4]	2	5839,5847
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5](:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:[c:11]:1)-[O:12]>>[C:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:12])-[O:15]-[C:14]-[C:13])=[C:11]-[N:10]-[c:9](:[c:6]:[c:7]):[c:8]	2	5886,48327
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+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1-[C:7])-[C:8])-[O:9]>>[C:1]-1(-[N:2]-[C:3](-[N:4]-[C:5](=[C:6]-1-[C:7])-[C:8])=[S:10])=[O:9]	2	7264,41675
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+[c:1]:1:[n:2]:[n:3]:[c:5](:[n:4]):[c:6](-[N:7]-[c:8](:[n:9]):[c:10]):[c:11]:1>>[N:7]-[c:8](:[n:9]):[c:10].[c:1]:1:[n:2]:[n:3]:[c:5](:[n:4]):[c:6](:[c:11]:1)-[Br:12]	2	7283,49746
+[C:1]-[C:2]=[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1]-[C:2]=[C:3]-[C:4]-[Br:8]	2	7285,13215
+[O:1]=[C:2](-[C:3]-[C:4](-[O:5])(-[C:6])-[C:7])-[O:8]>>[O:1]=[C:2](-[C:3])-[O:8].[C:4](=[O:5])(-[C:6])-[C:7]	2	7298,30524
+[O:1]=[C:2]-1-[N:3]=[C:4](-[N:5](-[C:6])-[C:7])-[S:8]-[C:9]-1=[C:10]-[c:11]>>[N:5](-[C:6])-[C:7].[C:10](-[c:11])=[O:12].[O:1]=[C:2]-1-[N:3]-[C:4](-[S:8]-[C:9]-1)=[S:13]	2	7348,15560
+[C:1](=[O:2])-[C:3](-[O:4]-[C:8]-[c:7])=[C:5]-[O:6]>>[C:1](=[O:2])-[C:3](-[O:4])=[C:5]-[O:6].[c:7]-[C:8]-[Br:9]	2	7382,52676
+[N:1]-[C:2](-[C:3](-[C:4])-[O:8])=[C:5](-[C:6])-[Br:7]>>[N:1]-[C:2](-[C:3]=[O:8])=[C:5](-[C:6])-[Br:7].[C:4]-[Mg:10]-[Br:9]	2	7408,40219
+[N:1]-[C:2](-[C:3]=[O:7])=[C:4](-[C:5])-[Br:6]>>[N:1]-[C:2](-[C:3]-[O:7])=[C:4](-[C:5])-[Br:6]	2	7409,16452
+[C:1](-[C:2]-1=[C:3]-[C:4]=[C:5]-[Se:6]-1)=[O:7]>>[C:1](=[O:7])-[N:10]-1-[C:9]-[C:8]-[O:13]-[C:12]-[C:11]-1.[C:2]-1=[C:3]-[C:4]=[C:5]-[Se:6]-1	2	7412,14362
+[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5](=[O:6])-[O:7]-[c:8]:[c:9]-1:[c:10]>>[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:12]-[C:11])=[O:13].[O:7]-[c:8]:[c:9]:[c:10]	2	7441,33543
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[c:6](:[n:7]):[c:8]):[n:9]:[c:10]:1>>[N:5]-[c:6](:[n:7]):[c:8].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:9]:[c:10]:1)-[S:12](-[C:11])=[O:13]	2	7473,11741
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7](-[C:8]):[s:10]:1)-[C:9]>>[C:5](-[C:6](=[C:7](-[C:8])-[Cl:12])-[C:9])=[O:11].[O:1]-[C:2](=[O:3])-[C:4]-[S:10]	2	7477,30767
+[O:1]=[C:2](-[C:3])-[C:4]>>[C:2](-[C:4])#[N:9].[O:1](-[C:5]-[C:6])-[C:11]-[C:10].[C:3]-[Mg:8]-[I:7]	2	7489,11640
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5]-[C:6])-[c:7]>>[C:5](-[C:6])-[Br:8].[O:1]-[C:2](=[O:3])-[C:4]-[c:7]	2	7527,10776
+[O:1]=[C:2](-[C:3])-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1>>[O:1]=[C:2](-[C:3])-[O:16].[n:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:1)-[C:10](=[O:9])-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	2	7550,11882
+[O:1]=[C:2](-[C:3])-[N:5](-[C:4])-[c:6]:1:[n:7]:[c:8]:[c:9]:[n:10]:[c:11]:1>>[c:6]:1(:[n:7]:[c:8]:[c:9]:[n:10]:[c:11]:1)-[Cl:12].[O:1]=[C:2](-[C:3])-[N:5]-[C:4]	2	7553,13073
+[c:1]:1:[c:2]:[n:3]:[n:4](-[C:5](-[C:6])-[C:7]):[c:8]:1:[n:9]>>[C:5](-[C:6])(-[C:7])-[O:10].[c:1]:1:[c:2]:[n:3]:[n:4]:[c:8]:1:[n:9]	2	7573,8027
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1-[C:9]):[c:7]>>[N:3]-[c:4](:[c:5](:[c:6])-[N:8]-[C:9]):[c:7].[C:1]-[C:2](-[O:12]-[C:11]-[C:10])(-[O:13]-[C:14]-[C:15])-[O:16]-[C:17]-[C:18]	2	7575,43394
+[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]:[n:6]):[n:7]:1)-[I:8]>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:[n:6]):[n:7]:1.[I:8]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	2	7617,9571
+[C:1]-[C:2](-[c:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](-[c:3])=[O:7]	2	7642,27952
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[o:8]>>[N:5](-[C:6])-[C:7].[n:1]:[c:2](-[C:3](=[O:4])-[O:11]-[C:10]-[C:9]):[o:8]	2	7659,14462
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5](:[c:6]):[c:7]):[c:8])-[C:9]>>[C:1]-[N:2]-[C:9].[c:3](:[n:4]:[c:5](:[c:6]):[c:7])(:[c:8])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17]	2	7666,14970
+[C:1]-[C:2](-[C:3](=[O:4])-[O:5])=[C:6]>>[C:1]-[C:2](-[C:3](=[O:4])-[O:5])-[C:6](=[O:7])-[O:8]	2	7668,26605
+[C:1]#[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]#[C:2].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[I:8]	2	7685,20825
+[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5](-[c:6](:[c:7]:[c:9]:[n:8]):[c:10]):[n:11]:[c:12]:1>>[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5](:[n:11]:[c:12]:1)-[Cl:22].[c:6](:[c:7]:[c:9]:[n:8])(:[c:10])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21]	2	7688,14577
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[c:7]:2:[n:8]:[c:9](:[c:10]:[c:12]:[n:13]:2):[c:11]>>[c:7]:1(:[n:8]:[c:9](:[c:10]:[c:12]:[n:13]:1):[c:11])-[Cl:14].[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1	2	7689,13495
+[c:1]:1:[n:2]:[c:3](-[S:4]-[c:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10](-[C:9])(=[O:11])=[O:12].[S:4]-[c:5]	2	7701,10736
+[c:1]:1:[n:2]:[c:3](-[N:4](-[C:5])-[C:6]):[n:7]:[c:8]:[c:9]:1>>[N:4](-[C:5])-[C:6].[c:1]:1:[n:2]:[c:3](:[n:7]:[c:8]:[c:9]:1)-[S:11]-[C:10]	2	7726,14993
+[N:1]-[C:2]-1=[C:3](-[N:4]-[C:5])-[C:6](=[O:7])-[C:8]-1=[O:9]>>[N:4]-[C:5].[N:1]-[C:2]-1=[C:3](-[C:6](=[O:7])-[C:8]-1=[O:9])-[O:11]-[C:10]	2	7732,30265
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5](-[C:6])-[O:8]):[o:7]:1>>[C:5](-[C:6])=[O:8].[c:1]:1:[c:2]:[c:3]:[c:4]:[o:7]:1	2	7734,50074
+[N:1]-1-[C:2]=[C:3](-[B:4](-[O:5])-[O:6])-[C:7]=[C:8](-[N:9])-[C:10]-1>>[N:1]-1-[C:2]=[C:3](-[C:7]=[C:8](-[N:9])-[C:10]-1)-[Br:11].[B:4]-1(-[O:5]-[C:17](-[C:18])(-[C:19])-[C:20](-[O:6]-1)(-[C:21])-[C:22])-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:24](-[O:23]-2)(-[C:25])-[C:26]	2	7744,28003
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]>>[N:8]-[C:9].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:13]-[C:11](=[O:10])-[O:12]	2	7756,20883
+[O:1]=[C:2](-[O:3]-[C:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[O:3]-[C:4].[O:1]=[C:2](-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17]	2	7786,11957
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]:[n:7]>>[N:3](-[C:4])-[C:5].[c:1]:[c:2](:[c:6]:[n:7])-[Cl:8]	2	7797,14482
+[C:1]-[N:2](-[c:3]:1:[n:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[C:11]>>[C:1]-[N:2]-[C:11].[c:3]:1(:[n:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[Cl:12]	2	7819,13818
+[n:1]:1:[c:2]:[c:3]:[c:4]:2:[c:5]:3-[C:6](=[O:7])-[N:8]-[C:9](=[O:10])-[c:11]:3:[c:12](-[c:13]):[c:14]:[c:15]:1:2>>[n:1]:1:[c:2]:[c:3]:[c:4]:2-[C:5]-3-[C:6](=[O:7])-[N:8]-[C:9](=[O:10])-[C:11]-3-[C:12](-[c:13])-[C:14]-[c:15]:1:2	2	7833,50256
+[C:1]-[S:2](=[O:3])-[c:4](:[n:5]):[c:6]>>[C:1]-[S:2]-[c:4](:[n:5]):[c:6].[O:3]=[S:8](=[O:7])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[N:15]-2-[O:16]-[C:17]-2-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	2	7853,17909
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]#[N:7]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[Br:8].[C:6]#[N:7]	2	7854,17908
+[C:1]-[C:2]-[C:3]-[O:4]>>[C:1]-[C:2]-1-[C:3]-[O:4]-1	2	7874,29339
+[N:1]#[C:2]-[C:3](-[O:4])(-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[C:6].[N:1]#[C:2]	2	7920,13334
+[O:1]=[C:2](-[N:3]-[C:4])-[N:5](-[C:6])-[c:7]>>[N:3]-[C:4].[O:1]=[C:2](-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17].[N:5](-[C:6])-[c:7]	2	7928,30133
+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]):[c:7]:[n:6]):[c:8]:[n:9]:1>>[n:1]:1:[c:2]:[c:3](:[c:8]:[n:9]:1)-[I:13].[c:4](:[c:5])(:[c:7]:[n:6])-[B:18]-1-[O:17]-[C:15](-[C:10](-[C:11])(-[C:12])-[O:19]-1)(-[C:14])-[C:16]	2	8024,9573
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[N:6]>>[C:1]-[N:3]-[C:2].[C:4](=[O:5])(-[N:6])-[n:9]:1:[c:8]:[c:7]:[n:11]:[c:10]:1	2	8032,10123
+[c:1]:[c:2](-[O:3]-[C:4]-[C:5]=[C:6]):[c:7]>>[O:3]-[C:4]-[C:5]=[C:6].[c:1]:[c:2](:[c:7])-[O:8]	2	8056,8057
+[N:1]-[C:2]-[C:3]=[C:4]-[C:5]>>[N:1]#[C:2]-[C:3]=[C:4]-[C:5]	2	8060,50052
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[N:10]=[C:11]):[c:12]:[c:13]:1>>[O:9]-[N:10]=[C:11].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:14]):[c:12]:[c:13]:1	2	8062,53565
+[C:1]-[C:4]-1=[C:3](-[C:2])-[N:9](-[C:7](-[C:6](=[C:5]-1)-[Br:11])=[O:8])-[C:10]>>[Br:11]-[N:20]-1-[C:15](=[O:14])-[C:16]-[C:17]-[C:18]-1=[O:19].[C:1]-[C:4](=[C:3](-[C:2])-[N:9]-[C:10])-[C:5]=[C:6]-[C:7](=[O:8])-[O:13]-[C:12]	2	8070,8748
+[C:1](=[C:2])(-[C:4](-[N:3])=[O:5])-[Br:6]>>[C:1](=[C:2])-[C:4](-[N:3])=[O:5].[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	2	8074,8075
+[C:1](-[C:2](=[C:3](-[Cl:4])-[C:5])-[N:6])-[Br:7]>>[C:1]-[C:2](=[C:3](-[Cl:4])-[C:5])-[N:6].[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	2	8096,8151
+[n:1]:1:[c:2](-[Br:3]):[n:4]:[n:5]:[c:6]:1>>[Br:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[n:1]:1:[c:2]:[n:4]:[n:5]:[c:6]:1	2	8141,8719
+[n:1]:[c:2]:1:[c:3](:[c:4]:[n:5]):[c:6](-[Br:7]):[c:8]:[n:9]:1>>[Br:7]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[n:1]:[c:2]:1:[c:3](:[c:4]:[n:5]):[c:6]:[c:8]:[n:9]:1	2	8163,8438
+[C:1](-[C:2](-[c:3])=[O:4])-[Br:5]>>[Br:5]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[C:1]=[C:2](-[c:3])-[O:4]-[C:7]-[C:6]	2	8170,8249
+[c:1]:1:[c:2](-[C:3]-[Br:4]):[c:5]:[n:6]:[n:7]:1>>[Br:4]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[c:1]:1:[c:2](-[C:3]):[c:5]:[n:6]:[n:7]:1	2	8189,8366
+[n:1]:[c:4](:[c:3]:[n:2])-[C:5]-[Br:6]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[n:1]:[c:4](:[c:3]:[n:2])-[C:5]	2	8190,8360
+[n:1]:[c:2]:[c:3](-[C:4]-[Br:5]):[o:6]>>[Br:5]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[n:1]:[c:2]:[c:3](-[C:4]):[o:6]	2	8345,8771
+[s:1]:[c:2](-[C:3]-[Br:5]):[n:4]>>[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[s:1]:[c:2](-[C:3]):[n:4]	2	8379,8552
+[c:1]:[c:2]:1:[c:3](-[Br:4]):[c:5]:[n:6]:[n:7]:1>>[Br:4]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[c:1]:[c:2]:1:[c:3]:[c:5]:[n:6]:[n:7]:1	2	8432,8636
+[C:1](=[C:2]-[N:3])(-[c:5](:[c:4]):[n:6])-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[C:1](=[C:2]-[N:3])-[c:5](:[c:4]):[n:6]	2	8458,8523
+[n:1]:[c:2]:[c:3](:[c:4](:[c:5]):[n:6])-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[n:1]:[c:2]:[c:3]:[c:4](:[c:5]):[n:6]	2	8531,8612
+[C:1](-[C:2](-[O:3])=[C:4]-[C:5])-[Br:6]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[C:1]-[C:2](-[O:3])=[C:4]-[C:5]	2	8558,8621
+[C:1]-[C:2](-[c:3])-[Br:4]>>[Br:4]-[N:5]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[C:1]-[C:2]-[c:3]	2	8669,8671
+[C:1]-[C:2](=[N:3]-[O:4])-[C:5]=[O:6]>>[C:1]-[C:2]-[C:5]=[O:6].[N:3](=[O:4])-[O:12]-[C:11]-[C:10]-[C:8](-[C:7])-[C:9]	2	8809,25665
+[O:1]=[C:2](-[O:3])-[C:4]-[C:5](-[O:6])(-[C:7])-[c:8]>>[C:5](=[O:6])(-[C:7])-[c:8].[O:1]=[C:2](-[O:3])-[C:4]	2	8810,30529
+[N:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[n:6]:[c:7](-[N:8]-[c:9]):[o:10]:1>>[N:1]-[C:2](=[O:3])-[C:4](-[N:5]-[N:6])=[O:10].[C:7](=[N:8]-[c:9])=[S:11]	2	8833,9538
+[c:1]:[c:2](-[C:3](=[O:4])-[O:6]-[C:7]):[n:5]>>[c:1]:[c:2](-[C:3]#[N:8]):[n:5].[O:6]-[C:7].[O:4]	2	8841,32827
+[C:1]-[C:2](-[C:3]=[O:4])-[C:5]>>[C:1]-[C:2](=[O:4])-[C:5].[C:3](-[O:19]-[C:18])-[P+:20](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:3	2	8878,52173
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[N:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5]#[N:6]	2	8888,17247
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:8](-[C:7]#[C:5]-[C:6]):[n:9]:1>>[C:5](-[C:6])#[C:7].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:8](:[n:9]:1)-[Br:10]	2	8913,24795
+[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:10]):[n:6]:[c:7](-[C:8]):[o:9]:1>>[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:10])-[N:6]-[C:7](-[C:8])=[O:9])=[O:11]	2	8917,36742
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[C:6])=[O:7])-[Cl:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:7].[Cl:8]-[S:10](=[O:9])(=[O:11])-[Cl:12]	2	8931,26378
+[C:1]-[C:5]=[C:3](-[C:2])-[O:4]>>[C:1]-[C:5]=[C:3](-[C:2])-[O:4]-[C:6]	2	8993,43228
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[C:1]-[C:2](=[O:3])-[O:10].[N:4]-[O:5]-[Si:7](-[C:6])(-[C:8])-[C:9]	2	8995,34202
+[C:1]-[C:2](-[O:3])-[C:4]-[C:5]>>[C:4](-[C:5])-[Mg:7]-[Br:6].[C:1]-[C:2]=[O:3]	2	9029,20241
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5]:[c:6]:1>>[c:1]:1:[n:2]:[c:3](:[n:4]:[c:5]:[c:6]:1)-[Cl:7]	2	9051,10857
+[N:1]-[C:2](-[N:3])=[N:4]-[C:5]>>[C:2](-[N:3])(-[N:4]-[C:5])=[S:6].[N:1]	2	9071,37890
+[c:1]:1:[n:2]:[c:3]:[n:4](:[c:5]:1:[n:6])-[C:7](-[C:8]-[C:9])-[O:10]>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5]:1:[n:6].[C:7](=[C:8]-[C:9])-[O:10]	2	9082,43734
+[N:1]#[C:2]-[C:3]-[C:4](-[C:5])-[C:6]>>[N:1]#[C:2]-[C:3]=[C:4](-[C:5])-[C:6]	2	9152,22498
+[C:1]-[C:2]-[C:3](-[C:4](=[O:5])-[O:8])(-[C:6])-[C:7]>>[C:3](-[C:4](=[O:5])-[O:8])(-[C:6])-[C:7].[C:1]-[C:2]-[I:9]	2	9154,26504
+[C:1]-[C:2](-[C:3])=[C:4]-[C:5](=[O:6])-[O:9]-[C:8]-[C:7]>>[C:4]-1-[C:5]-[O:9]-[C:8]-[C:7]-1.[C:1]-[C:2](-[C:3])=[O:6]	2	9178,13099
+[c:1]:[c:2](-[C:3](-[C:4])(-[C:5])-[O:7]):[c:6]>>[C:3](-[C:4])(-[C:5])=[O:7].[c:1]:[c:2](:[c:6])-[I:8]	2	9182,9324
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[C:7]-[C:8])-[C:9]>>[O:5]=[C:6](-[C:7]-[C:8])-[C:9].[C:1]-[Si:2](-[C:3])(-[C:4])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17]	2	9186,9192
+[C:1]-[C:2](-[O:3])(-[c:4]:1:[n:5]:[c:6]:[c:7]:[s:8]:1)-[C:9]>>[C:1]-[C:2](=[O:3])-[C:9].[c:4]:1:[n:5]:[c:6]:[c:7]:[s:8]:1	2	9198,11928
+[C:1]-[C:2](-[C:3])(-[C:4]-[C:5](=[O:6])-[O:9])-[C:8]-[N+:7]>>[C:1]-[C:2](-[C:3])=[C:4]-[C:5](=[O:6])-[O:9].[N+:7]-[C:8]	2	9268,28638
+[C:1]=[C:2]-[C:3]-[C:4]-[C:5](=[O:6])-[C:7]>>[C:5](=[O:6])(-[C:7])-[N:10](-[O:9]-[C:8])-[C:11].[C:1]-1-[C:2]-[C:3]-[C:4]-[O:12]-1	2	9281,13098
+[C:1]-1-[C:2]-[O:3]-[C:4](-[C:5])-[O:6]-[C:7]-1>>[O:3]=[C:4]-[C:5].[C:1](-[C:2]-[O:8])-[C:7]-[O:6]	2	9283,39462
+[c:1]:[c:2](:[c:3])-[O:7]-[C:6]-[C:5]#[C:4]>>[c:1]:[c:2](:[c:3])-[O:8].[C:4]#[C:5]-[C:6]-[O:7]	2	9292,17144
+[C:1]-[C:2]=[C:3]-[C:4]>>[C:3](-[C:4])=[O:23].[C:1]-[C:2]-[P+:8](-[c:7]:1:[c:6]:[c:5]:[c:24]:[c:22]:[c:21]:1)(-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2)-[c:15]:3:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:3	2	9298,24877
+[C:1]-[C:2](-[O:3])-[C:4]#[C:5]>>[C:1]-[C:2]=[O:3].[C:4]#[C:5]	2	9318,29867
+[C:1]-[N:2]-[c:3]:1:[c:4](:[n:5]):[c:6]:[n:7]:[c:8]:[c:9]:1>>[C:1]-[N:2].[c:3]:1(:[c:4](:[n:5]):[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:10]	2	9430,12318
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8])-[Cl:10]	2	9434,41847
+[C:1]-[O:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[O:2].[C:3](-[C:4](=[O:5])-[O:6])=[N+:8]=[N-:7]	2	9443,30953
+[C:1]-[N:2](-[C:3])-[c:4]:1:[c:5]:[c:6]:[n+:7]:[c:8]:[c:9]:1>>[c:4]:1(:[c:5]:[c:6]:[n+:7]:[c:8]:[c:9]:1)-[Cl:10].[C:1]-[N:2]-[C:3]	2	9473,32639
+[C:1]-1=[C:2]-[c:3]:[c:4](:[n:5])-[N:6](-[C:7])-[C:8]-1=[O:9]>>[C:1](=[C:2]-[c:3]:[c:4](:[n:5])-[N:6]-[C:7])-[C:8](=[O:9])-[O:12]-[C:11]-[C:10]	2	9527,27141
+[C:1]-[C:2]=[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:6].[C:1]-[C:2]-[P+:11](-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:25]:[c:24]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	2	9551,24763
+[N:1]#[C:2]-[C:3]-[C:4](-[O:5])-[c:6]>>[C:4](=[O:5])-[c:6].[N:1]#[C:2]-[C:3]	2	9577,41216
+[O:1]=[C:2](-[N:3]-[c:4])-[N:5](-[O:6])-[C:7]>>[N:5](-[O:6])-[C:7].[O:1]=[C:2]=[N:3]-[c:4]	2	9578,33269
+[C:1]-[N:2](-[c:3](:[c:4]):[c:7](:[n:5]):[n:6])-[C:8]>>[C:1]-[N:2]-[C:8].[c:3](:[c:4])(:[c:7](:[n:5]):[n:6])-[Br:9]	2	9586,37891
+[C:1]-[N:2](-[C:3]=[O:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](=[O:4])-[O:6]-[C:8]-[C:7]	2	9619,31186
+[n:1]:[c:2]:[c:3](-[C:4]-[N:5](-[C:6])-[C:7]):[s:8]>>[N:5](-[C:6])-[C:7].[n:1]:[c:2]:[c:3](-[C:4]-[Cl:9]):[s:8]	2	9689,14956
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5](=[O:6])-[N:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](=[O:4])(-[C:5](=[O:6])-[N:7])-[O:9]	2	9690,9733
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2]-[C:9].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Br:10]	2	9701,42792
+[N:1]-[C:2](-[N:3])=[N:4]-[O:5]>>[N:1]#[C:2]-[N:3].[N:4]-[O:5]	2	9810,16151
+[S:1]=[C:2]-1-[N:3]-[C:4](-[C:5])=[C:6](-[C:7]#[N:8])-[C:9](=[O:10])-[N:11]-1>>[C:4](-[C:5])=[O:14].[C:6](-[C:7]#[N:8])-[C:9](=[O:10])-[O:13]-[C:12].[S:1]=[C:2](-[N:3])-[N:11]	2	9903,19031
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5]-[N:6]-[C:7]-1=[O:8]>>[N:2]-1-[C:3](=[O:4])-[C:5]-[N:6]-[C:7]-1=[O:8].[C:1]-[I:9]	2	9952,29795
+[c:1]-[N:2]-1-[C:3]=[N:4]-[C:5](=[O:6])-[C:7]-1>>[c:1]-[N:2]-[C:7]-[C:5](-[N:4])=[O:6].[C:3](-[O:10]-[C:9]-[C:8])(-[O:11]-[C:12]-[C:13])-[O:14]-[C:15]-[C:16]	2	10011,31073
+[C:1]-[O:2]-[C:3](=[N:4])-[c:5]>>[C:3](#[N:4])-[c:5].[C:1]-[O:2]	2	10018,32891
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5]:1:[n:6]>>[c:1]:1:[n:2]:[c:3]:[n:4](:[c:5]:1:[n:6])-[C:7]-2-[C:8]-[C:9]-[C:10]-[C:11]-[O:12]-2	2	10073,55335
+[C:1]-[C:2](-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7])-[C:9]>>[C:1]-[C:2](-[C:9])-[O:14]-[S:11](-[C:10])(=[O:12])=[O:13].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	2	10104,48641
+[c:1]:[c:2](:[c:3])-[I:4]>>[c:1]:[c:2](:[c:3])-[Br:5].[I:4]-[Cu:6]	2	10115,13417
+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]):[n:7]:[n:6]):[c:8]:[n:9]:1>>[c:4](:[c:5])(:[n:7]:[n:6])-[Cl:13].[n:1]:1:[c:2]:[c:3](:[c:8]:[n:9]:1)-[B:18]-2-[O:17]-[C:15](-[C:10](-[C:11])(-[C:12])-[O:19]-2)(-[C:14])-[C:16]	2	10129,28526
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]:[s:6]):[n:7])-[C:8]>>[C:3](-[c:4](:[c:5]:[s:6]):[n:7])=[O:9].[C:1]-[N:2]-[C:8]	2	10134,32585
+[s:1]:[c:2](-[C:3](-[F:4])(-[C:5])-[C:6]):[n:7]>>[s:1]:[c:2](-[C:3](-[C:5])(-[C:6])-[O:16]):[n:7].[F:4]-[S:13](-[N:10](-[C:9]-[C:8])-[C:11]-[C:12])(-[F:14])-[F:15]	2	10155,29549
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[N:9]-[C:10](-[C:11])-[C:12]>>[C:10](-[C:11])(-[C:12])=[O:13].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[N:9]	2	10160,24018
+[C:1]-[C:2](-[C:3]-[C:4]-[C:5](-[c:6](:[c:7]):[n:8])=[O:10])=[O:9]>>[C:1]-[C:2](-[C:3]=[C:4])=[O:9].[C:5](-[c:6](:[c:7]):[n:8])=[O:10]	2	10204,15415
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:2):[n:11]:[c:12]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[n:11]:[c:12]:1)-[Br:13].[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[B:15](-[O:14])-[O:16]	2	10232,46748
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6]:[n:7](-[C:8]):[c:9]:2:[n:10]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](-[N:5]):[c:9](-[N:7]-[C:8]):[n:10]:1.[C:6](=[O:11])-[O:12]	2	10237,38324
+[C:1]-1(-[N:2]-[N:3](-[C:4])-[c:5]:2:[c:6]-1:[c:7]:[n:8]:[c:9]:[c:10]:2)=[O:11]>>[C:1](-[N:2]-[N:3]-[C:4])(-[c:6]:1:[c:5](:[c:10]:[c:9]:[n:8]:[c:7]:1)-[I:12])=[O:11]	2	10264,11765
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1>>[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1-[C:10]-[c:9]:2:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:2	2	10275,15328
+[n:1]:[c:2]:[c:3]:1-[N:4]-[C:5](=[O:6])-[N:7](-[C:8])-[c:9]:1:[n:10]>>[n:1]:[c:2]:[c:3](-[N:4]):[c:9](-[N:7]-[C:8]):[n:10].[C:5](=[O:6])(-[Cl:11])-[Cl:12]	2	10277,34945
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[O:8]-[C:9]>>[O:8]-[C:9].[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[Cl:10]	2	10290,30429
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5](:[c:6]):[c:8]):[c:7]):[c:9]:[n:10]>>[c:3](:[n:4]:[c:5](:[c:6]):[c:8])(:[c:7])-[Cl:20].[c:1]:[c:2](:[c:9]:[n:10])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	2	10295,29286
+[C:1]-[C:2](-[C:3])(-[N:4])-[C:6](-[N:5])=[O:7]>>[C:2](-[C:3])(-[N:4])-[C:6](-[N:5])=[O:7].[C:1]-[I:8]	2	10318,15476
+[c:1]:[c:5]:[n:4]:[c:3](:[c:2])-[N:6](-[C:7])-[C:8]-[C:9](=[O:10])-[O:11]>>[N:6](-[C:7])-[C:8]-[C:9](=[O:10])-[O:11].[c:1]:[c:5]:[n:4]:[c:3](:[c:2])-[Cl:12]	2	10349,44209
+[N:1]-[C:2](-[C:3])-[c:4]:[c:5]:[n:6]>>[C:2](-[C:3])(-[c:4]:[c:5]:[n:6])=[O:7].[N:1]	2	10356,40781
+[C:1]-[O:2]-[c:3]:1:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1>>[c:3]:1(:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1)-[Cl:11].[C:1]-[O:2]	2	10366,30439
+[c:1]-[N:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[c:7]:1)-[C:8]>>[c:1]-[N:2]-[C:8].[c:3]:1(:[n:4]:[n:5]:[c:6]:[c:7]:1)-[Br:9]	2	10367,16072
+[c:1]:[c:2](-[C:3]-1=[C:4]-[N:5]-[C:6]-[C:7]=[C:8]-1):[n:9]:[c:10]:[c:11]>>[c:1]:[c:2](:[n:9]:[c:10]:[c:11])-[Cl:21].[C:3]-1(=[C:4]-[N:5]-[C:6]-[C:7]=[C:8]-1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20]	2	10415,10416
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10].[C:1]-[C:2](-[O:13]-[C:12]-[C:11])=[N:14]	2	10427,12800
+[c:1]:1:[n:2]:[c:3]:[c:5](:[c:4]):[n:6]:[c:7]:1-[N:8]-[C:9]>>[N:8]-[C:9].[c:1]:1:[n:2]:[c:3]:[c:5](:[c:4]):[n:6]:[c:7]:1-[F:10]	2	10430,17756
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:[n:6]:[c:7]:2-[C:8]):[n:9]:[c:10]:1>>[C:7](-[C:8])=[O:11].[c:1]:1:[n:2]:[n:3]:[c:4](-[N:5]-[N:6]):[n:9]:[c:10]:1	2	10434,10435
+[C:1]-[O:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[C:1]-[O:2].[S:3](-[C:4])(=[O:5])(=[O:6])-[O:7]	2	10444,45729
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Br:7].[C:1]-[C:2]#[C:3]-[Si:9](-[C:8])(-[C:10])-[C:11]	2	10492,12007
+[n:1]:1:[c:2]:[c:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:8]>>[c:6](:[c:7])(:[c:8])-[Br:9].[n:1]:1:[c:2]:[c:3]:[c:4]:[c:5]:1-[B:11](-[O:10])-[O:12]	2	10544,46574
+[O:1]=[C:2](-[N:3](-[C:4]-[c:5](:[n:6]):[n:7])-[c:8]:[c:9]:[n:10])-[C:11]>>[O:1]=[C:2](-[N:3]-[c:8]:[c:9]:[n:10])-[C:11].[C:4](-[c:5](:[n:6]):[n:7])-[Cl:12]	2	10546,10547
+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:11](=[O:12])-[N:13]-1.[c:5]:[c:6](-[C:7]#[C:8]-[C:9]):[c:10]>>[C:7]#[C:8]-[C:9].[c:1]-[C:2]=1-[N:3]-[N:4]-[C:11](=[O:12])-[N:13]=1.[c:5]:[c:6](:[c:10])-[I:14]	2	10573,17261
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5].[c:6]-[C:7]-1=[N:8]-[N:9]-[C:10](=[O:11])-[N:12]-1>>[N:4]-[C:5].[c:6]-[C:7]=1-[N:8]-[N:9]-[C:10](=[O:11])-[N:12]=1.[C:1]-[C:2](=[O:3])-[Cl:13]	2	10577,17336
+[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5](-[C:6]#[N:7])=[C:8]-2-[N:9]-[c:10](:[c:11](:[c:12])-[N:14]-2-[C:15]-1=[O:16]):[c:13]>>[C:1]-[C:2](-[C:3](-[C:4])=[O:20])-[C:15](=[O:16])-[O:19]-[C:18]-[C:17].[C:5](-[C:6]#[N:7])-[c:8]:1:[n:9]:[c:10](:[c:11](:[c:12]):[n:14]:1):[c:13]	2	10581,43357
+[c:1]:1:[c:2](-[C:3]):[n:4]:[n:5]:[c:6]:1-[C:7]>>[C:1](-[C:2](-[C:3])=[O:8])-[C:6](-[C:7])=[O:9].[N:4]-[N:5]	2	10584,29647
+[O:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:6].[O:1]-[N:2]	2	10602,44078
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[c:7]):[c:8]:[n:9]:1>>[N:6]-[c:7].[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:10]):[c:8]:[n:9]:1	2	10642,14135
+[c:1]:[c:2](-[c:3](:[c:4]):[c:7](:[n:5]):[c:6]):[c:8]>>[c:3](:[c:4])(:[c:7](:[n:5]):[c:6])-[Br:9].[c:1]:[c:2](:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	2	10643,14045
+[C:1](-[C:2](-[C:3])=[O:6])-[C:4](-[C:5])=[O:7]>>[C:4](-[C:5])(=[O:7])-[O:9]-[C:8].[C:1]-[C:2](-[C:3])=[O:6]	2	10652,22538
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5]:1:[n:6]:[c:7](-[C:8]):[c:9]:[c:10]:2-[C:11](=[O:12])-[O:13]>>[C:7](-[C:8])(-[C:9]-[C:10](-[C:11](=[O:12])-[O:13])=[O:14])=[O:15].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[N:6]	2	10663,44264
+[C:1]-[C:2](-[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-[c:8])=[O:9]>>[C:1]-[C:2](-[N:3]-[N:4])=[O:9].[C:5](=[O:6])(-[O:14]-[C:11](-[Cl:10])(-[Cl:12])-[Cl:13])-[O:15]-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19].[N:7]-[c:8]	2	10680,10681
+[C:1]-[C:2](-[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-[c:8])=[O:9]>>[C:1]-[C:2](-[N:3]-[N:4])=[O:9].[C:5](=[O:6])=[N:7]-[c:8]	2	10682,10683
+[c:1](:[n:2]):[c:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[C:8]):[o:9]:1>>[N:5]-[N:6]-[C:7](-[C:8])=[O:9].[c:1](:[n:2]):[c:3]-[C:4](=[O:10])-[O:11]	2	10691,26380
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5]-[C:6]#[N:7])-[C:8]):[n:9]:[c:10]:1>>[C:4](=[C:5]-[C:6]#[N:7])-[C:8].[c:1]:1:[c:2]:[n:3]:[n:9]:[c:10]:1	2	10746,34077
+[N:1]#[C:2]-[C:3](-[C:4]#[N:5])(-[C:6])-[C:7]-[C:8]>>[C:7](-[C:8])-[Br:9].[N:1]#[C:2]-[C:3](-[C:4]#[N:5])-[C:6]	2	10777,37815
+[O:1]=[C:2](-[C:3](-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[O:10])(-[c:11])-[O:13])-[N:12]>>[O:1]=[C:2](-[C:3](-[c:11])=[O:13])-[N:12].[c:4]:1:[c:8]:[c:7]:[c:6]:[c:5]:[c:9]:1-[O:10]	2	10821,39153
+[O:1]-[C:2]=[C:3](-[C:4]-[O:6])-[N:5]>>[O:1]-[C:2]=[C:3](-[C:4](=[O:6])-[O:7])-[N:5]	2	10862,56832
+[C:1]=[C:2]-[N:3]-[N:4]=[C:5]-[c:6]>>[C:1]=[C:2]-[N:3]-[N:4].[C:5](-[c:6])=[O:7]	2	10863,36294
+[O:1]-[C:2]=[C:3](-[C:4]-[N:5](-[C:8]=[O:7])-[C:9]=[O:10])-[N:6]>>[O:1]-[C:2]=[C:3](-[C:4]-[Cl:11])-[N:6].[N:5](-[C:8]=[O:7])-[C:9]=[O:10]	2	10866,55824
+[O:1]-[C:2]=[C:3](-[C:4]-[Cl:6])-[N:5]>>[O:1]-[C:2]=[C:3](-[C:4]-[O:10])-[N:5].[Cl:6]-[S:8](=[O:7])-[Cl:9]	2	10870,35831
+[n:1]:[c:2](-[c:3]:1:[c:4]:2-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[N:10]-[c:11]:2:[n:12]:[n:13]:1-[C:14]-[c:15]:[c:16]:[n:17]):[c:18]>>[C:4]=1-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[N:10]-[C:11]=1-[N:12]-[N:13].[n:1]:[c:2](-[C:3]=[O:19]):[c:18].[C:14](-[c:15]:[c:16]:[n:17])=[O:20]	2	10872,26777
+[N:1]-[C:2]=[C:3](-[C:4]=[O:6])-[c:5]>>[N:1]-[C:2]=[C:3]-[c:5].[C:4](=[O:6])-[N:8](-[C:7])-[C:9]	2	10876,11802
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]):[n:8]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6](:[c:7]):[n:8])-[O:10]-[C:9]	2	10897,14701
+[c:1]-[n:2]:1:[c:3]:[c:4](-[c:5]:[c:7]:[n:6]):[n:8]:[n:9]:1>>[C:3]#[C:4]-[c:5]:[c:7]:[n:6].[c:1]-[N:2]=[N+:9]=[N-:8]	2	10906,47885
+[C:1]-[C:2](-[O:3])-[C:11]-[O:10]>>[C:1]-[C:2]=[C:11].[O-:3]-[N+:13]-1(-[C:5]-[C:4]-[O:16]-[C:15]-[C:14]-1)-[C:12].[O:6]=[Os:7](=[O:8])(=[O:9])=[O:10]	2	10922,16024
+[c:1]:[c:2](-[I:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[Br:5].[I:3]-[I:6]	2	10936,40506
+[C:1](=[O:2])-[C:3](-[C:4](=[O:5])-[N:6]-[C:7])=[C:8]-[N:9]>>[C:1](=[O:2])-[C:3](-[C:4](=[O:5])-[O:10])=[C:8]-[N:9].[N:6]-[C:7]	2	11117,43539
+[c:1](-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]):[c:7]:[n:8]>>[N:4](-[C:5])-[c:6].[c:1](-[C:2](=[O:3])-[O:9]):[c:7]:[n:8]	2	11120,48977
+[c:1]:[c:2]:1:[c:3](:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:1):[c:9]>>[C:5](=[N:6]-[C:7])=[S:10].[c:1]:[c:2](:[c:3](-[N:4]):[c:9])-[N:8]	2	11123,27073
+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:[c:6]:1-[N:7](-[C:8])-[C:9]>>[N:7](-[C:8])-[C:9].[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:[c:6]:1-[Br:10]	2	11148,12705
+[C:1]-[C:2]-[O:3]-[c:4](:[c:5]):[n:6]>>[O:3]-[c:4](:[c:5]):[n:6].[C:1]-[C:2]-[I:7]	2	11151,30042
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:7]:1-[C:8]>>[C:5](-[C:6])(-[N:7]-[C:8])=[O:9].[C:1]-[C:2](-[N:3]-[N:4])=[O:10]	2	11153,37147
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[c:5](:[n:6]:1):[s:7]:[c:8](-[C:9](=[O:10])-[N:11]):[c:12]:2-[N:13]>>[S:7]-[C:8]-[C:9](=[O:10])-[N:11].[c:1]:1:[c:2]:[c:3]:[c:4](:[c:5](:[n:6]:1)-[Cl:14])-[C:12]#[N:13]	2	11156,38816
+[O:1]=[C:2](-[N:3]-[c:4])-[N:6](-[C:5])-[C:7]>>[N:3]-[c:4].[C:5]-[N:6]-[C:7].[O:1]=[C:2](-[n:10]:1:[c:9]:[c:8]:[n:17]:[c:16]:1)-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	2	11183,42515
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:8](-[O:7]-[C:6])-[C:9]	2	11196,12511
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[c:7]:[c:9]:[n:8]):[n:10]:1-[C:11]>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N:10]-[C:11].[C:6](-[c:7]:[c:9]:[n:8])=[O:12]	2	11203,49693
+[C:1]-[S:2]-[c:3]:1:[n:4]:[c:5](:[c:6]):[n:7]:[c:8]:[c:9]:1>>[c:3]:1(:[n:4]:[c:5](:[c:6]):[n:7]:[c:8]:[c:9]:1)-[Cl:10].[C:1]-[S:2]	2	11207,21847
+[O:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[C:6](=[C:7]-[c:8]:2:[c:9](:[n:10]):[n:11]:[n:12]:[c:13]:2)-[S:14]-1>>[C:7](-[c:8]:1:[c:9](:[n:10]):[n:11]:[n:12]:[c:13]:1)=[O:15].[O:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[C:6]-[S:14]-1	2	11215,44481
+[N:1]-[C:2](=[O:3])-[C:4]-[S:11]-[c:6]:1:[c:5]:[c:10]:[n:9]:[c:8]:[n:7]:1>>[c:5]:1:[c:6](:[n:7]:[c:8]:[n:9]:[c:10]:1)-[Cl:12].[N:1]-[C:2](=[O:3])-[C:4]-[S:11]	2	11216,27796
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[N:6]):[c:7]:2:[c:8](:[n:9]:[c:10]:[n:11]:[c:12]:2):[s:13]:1>>[N:1]-[C:2](=[O:3])-[C:4]-[S:13]-[c:8]:1:[c:7](-[C:5]#[N:6]):[c:12]:[n:11]:[c:10]:[n:9]:1	2	11218,27803
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[N:6]):[c:7]:2:[c:8](:[n:9]:[c:10]:[n:11]:[c:12]:2):[s:13]:1>>[C:5](#[N:6])-[c:7]:1:[c:8](:[n:9]:[c:10]:[n:11]:[c:12]:1)-[Cl:14].[N:1]-[C:2](=[O:3])-[C:4]-[S:13]	2	11220,47489
+[c:1]:[c:2](-[C:3](-[S:4])(-[C:5]-[C:6])-[C:8]-[C:7]):[n:9]>>[c:1]:[c:2](-[C:3]-[S:4]):[n:9].[C:5](-[C:6])-[Cl:10].[C:7]-[C:8]-[Cl:11]	2	11235,35056
+[O:1]-[C:2](=[O:3])-[C:4](-[c:5](:[c:6]):[c:7])=[O:8]>>[c:5](:[c:6]):[c:7].[O:1]-[C:2](=[O:3])-[C:4](=[O:8])-[Cl:9]	2	11259,44205
+[c:1]-[C:2](=[O:3])-[C:4]-1-[C:5]-[C:6]-1>>[C:4]-1(-[C:5]-[C:6]-1)-[Mg:8]-[Br:7].[c:1]-[C:2](=[O:3])-[N:11](-[O:10]-[C:9])-[C:12]	2	11260,11262
+[c:1]:1:[c:2]:[n:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:7]:[n:8]:1.[c:4](:[c:5])(:[c:6])-[B:10](-[O:9])-[O:11]	2	11265,32546
+[C:1]=[C:2]-[C:3](-[O:4]-[C:5]-[c:6])=[C:7]-[C:8]>>[C:1]=[C:2]-[C:3](-[O:4])=[C:7]-[C:8].[C:5](-[c:6])-[Br:9]	2	11278,48682
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]>>[C:4]-[O:5]-[C:14]-[c:13]:1:[c:12]:[c:11](-[C:10]-[N:9]):[c:17](:[c:16]:[c:15]:1)-[C:18]-2-[C:19]-[C:20]-2.[N:6]-[C:7].[n:1]:[c:2](-[N:3]):[c:8]	2	11279,11280
+[C:1]-[C:7](-[C:3]-1(-[C:2])-[O:4]-[C:5]-1-[c:6])=[O:8]>>[C:1]-[C:7](-[C:3](-[C:2])=[C:5]-[c:6])=[O:8].[O:4]-[O:9]	2	11303,29315
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[c:7]>>[C:1]-[C:2](-[N:6]-[c:7])=[O:12].[N:3](=[N+:4]=[N-:5])-[Si:9](-[C:8])(-[C:10])-[C:11]	2	11307,34138
+[C:1](=[O:2])-[N:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:9].[C:1](=[O:2])-[N:3]	2	11330,17116
+[C:1]-[C:7](-[C:5](-[C:3](-[C:2])=[O:4])-[c:6])=[O:8]>>[C:1]-[C:7](-[C:3]-1(-[C:2])-[O:4]-[C:5]-1-[c:6])=[O:8]	2	11365,29316
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:7]-[C:6].[c:1]-[N:2]	2	11366,26414
+[c:1]:[c:2](-[N:3]-[c:4]):[n:5](:[c:6]):[c:8](:[c:7]):[c:9]>>[N:3]-[c:4].[c:1]:[c:2](:[n:5](:[c:6]):[c:8](:[c:7]):[c:9])-[Cl:10]	2	11369,50268
+[c:1](:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8]):[c:10]:[n:11]):[n:12]>>[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8].[c:1](:[c:2](:[c:10]:[n:11])-[I:13]):[n:12]	2	11380,19428
+[C:1]-[O:2]-[c:3](:[c:4](:[n:5]):[c:6]):[c:7]>>[c:3](:[c:4](:[n:5]):[c:6])(:[c:7])-[O:8].[C:1]-[O:2]	2	11389,19174
+[c:1]:[c:3](:[n:2])-[c:4]:1:[n:5]:[c:6](-[C:7]):[n:8]:[o:9]:1>>[c:1]:[c:3](:[n:2])-[C:4](=[O:10])-[O:11].[N:5]=[C:6](-[C:7])-[N:8]-[O:9]	2	11395,18772
+[c:1]:[c:3](:[n:2])-[N:4]-[c:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1>>[c:1]:[c:3](:[n:2])-[N:4].[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[Br:11]	2	11404,50602
+[O:1]=[C:2](-[O:3])-[C:4]-1=[C:5](-[C:6])-[C:7]-[C:8]-[C:9]-[C:10]-1>>[O:1]=[C:2](-[O:3])-[C:4]-1=[C:5](-[C:6])-[C:7]-[C:8]-[C:10]-1.[C:9]-1-[C:19]-[C:18]-[C:17]=2-[C:12](=[O:11])-[O:13]-[C:14](=[O:15])-[C:16]=2-[C:20]-1	2	11435,11988
+[n:1]:[c:2]:[c:3](:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]):[n:9]>>[n:1]:[c:2]:[c:3](:[c:4](:[c:8])-[Br:10]):[n:9].[c:5](:[c:6])(:[c:7])-[B:12](-[O:11])-[O:13]	2	11441,27748
+[C:1]-[C:2](-[N:3]-[C:22](=[O:21])-[O:23]-[C:24]-[c:25])(-[C:4])-[C:5]>>[C:1]-[C:2](-[C:4])(-[C:5])-[C:22](=[O:21])-[O:23].[N:3](=[N+:6]=[N-:27])-[P:7](=[O:8])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2.[C:24](-[c:25])-[O:26]	2	11465,52471
+[C:1]-[C:2](-[N:3]-[C:4](=[O:5])-[O:6]-[C:7])(-[C:8])-[C:9]>>[C:1]-[C:2](-[C:4](=[O:5])-[O:10])(-[C:8])-[C:9].[O:6]-[C:7].[N:3](=[N+:12]=[N-:11])-[P:13](=[O:14])(-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)-[c:21]:2:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:2	2	11483,43811
+[c:1]:[c:2]:1:[c:3](:[n:4]:[c:5](-[c:6]:[c:8]:[n:7]):[n:9]:1):[c:10]>>[c:1]:[c:2](:[c:3](-[N:4]):[c:10])-[N+:9](=[O:12])-[O-:13].[C:5](-[c:6]:[c:8]:[n:7])=[O:11]	2	11555,27010
+[c:1]:1:[c:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[n:8]:1>>[N:4]-[C:5].[c:1]:1:[c:2]:[c:3](:[n:6]:[c:7]:[n:8]:1)-[N:13]-[C:12]-2-[C:11]-[C:10]-[C:9]-[C:14]-2	2	11621,12216
+[C:1](-[C:2](=[O:3])-[O:8])-[N:4]-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])=[O:9].[C:1](-[C:2](=[O:3])-[O:8])-[N:4]	2	11663,26297
+[N:1]#[C:2]-[C:3](-[c:4])-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])-[Br:8].[N:1]#[C:2]-[C:3]-[c:4]	2	11685,26357
+[C:1]-[c:2]:1:[c:3]:2-[C:4](=[O:5])-[N:6]=[C:7](-[c:8])-[N:9]-[n:10]:2:[c:11](-[C:12]):[n:13]:1>>[C:1]-[C:2](-[c:3]:1:[c:4](-[O:5]):[n:6]:[c:7](-[c:8]):[n:9]:[n:10]:1)-[N:13]-[C:11](-[C:12])=[O:14]	2	11691,57232
+[N:1]-[C:2](=[O:3])-[C:4]>>[N:1]#[C:2]-[C:4].[O:3]=[C:6](-[O:5])-[O:7]	2	11693,46873
+[c:1]-[O:2]-[C:3]-[C:4]#[N:5]>>[c:1]-[O:2].[C:3](-[C:4]#[N:5])-[Cl:6]	2	11699,41308
+[C:1](-[C:4](=[C:2]-[C:3])-[C:5])=[O:6]>>[C:2](-[C:3])=[O:7].[C:1](-[C:4]-[C:5])=[O:6]	2	11704,28605
+[C:1]-[C:2](-[N:3]-[c:4])-[c:5]>>[C:1]-[C:2](-[c:5])=[O:6].[N:3]-[c:4]	2	11732,29774
+[c:1]:1(:[n:2]:[n:3](-[C:4]):[c:5]:2:[c:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:2)-[O:14]-[S:12](=[O:11])(=[O:13])-[C:15](-[F:16])(-[F:17])-[F:18]>>[C:1]-1(-[N:2]-[N:3](-[C:4])-[c:5]:2:[c:6]-1:[c:7]:[n:8]:[c:9]:[c:10]:2)=[O:14].[O:11]=[S:12](=[O:13])(-[C:15](-[F:16])(-[F:17])-[F:18])-[O:22]-[S:20](=[O:19])(=[O:21])-[C:23](-[F:24])(-[F:25])-[F:26]	2	11748,15478
+[n:1]:[c:2](:[n:3])-[S:5](-[C:4])=[O:6]>>[n:1]:[c:2](:[n:3])-[S:5]-[C:4].[O:6]=[S:12](=[O:11])(-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)-[N:19]-2-[O:20]-[C:21]-2-[c:22]:3:[c:10]:[c:9]:[c:8]:[c:7]:[c:23]:3	2	11749,27147
+[N:1](-[C:2]-[C:3](=[O:4])-[N:5])-[C:6]-[c:7]>>[N:1]-[C:2]-[C:3](=[O:4])-[N:5].[C:6](-[c:7])=[O:8]	2	11753,44089
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[c:6]:2:[n:7]:[c:8](-[N:9]):[n:10]:[c:11]:[c:12]:2>>[N:7]-[C:8](-[N:9])=[N:10].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[C:12]#[C:11])=[O:13]	2	11756,11760
+[c:1]:1:[c:2](-[c:3]:2:[n:4]:[c:5](-[N:6]):[n:7]:[c:8]:[c:9]:2):[c:10]:[n:11]:[n:12]:1>>[N:4]=[C:5](-[N:6])-[N:7].[c:1]:1:[c:2](-[C:3](-[C:9]=[C:8]-[N:14](-[C:13])-[C:15])=[O:16]):[c:10]:[n:11]:[n:12]:1	2	11758,42022
+[n:1]:[n:2]:1:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:[c:9]:1:[c:10]>>[N:4]-[C:5].[n:1]:[n:2]:1:[c:3](:[n:6]:[c:7]:[c:8]:[c:9]:1:[c:10])-[S:12]-[C:11]	2	11779,11782
+[c:1]-[C:2](=[O:3])-[c:4](:[n:5]):[c:6]>>[c:1]-[C:2]-[c:4](:[n:5]):[c:6].[O:3]=[Se:8]=[O:7]	2	11803,44823
+[c:1]-[C:2]-1(-[c:3])-[C:4]=[C:5]-[C:6](=[O:7])-[C:8]-[C:9]-1>>[C:5]-[C:6](=[O:7])-[C:8]=[C:9].[c:1]-[C:2](-[c:3])-[C:4]=[O:10]	2	11806,16520
+[O:1]=[C:2]-[c:3](:[c:4]):[c:6]:[c:5]:[o:7]>>[c:3](:[c:4]):[c:6]:[c:5]:[o:7].[O:1](-[C:2](-[Cl:9])-[Cl:10])-[C:8]	2	11810,33573
+[C:1](-[C:2])(-[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)=[O:10]>>[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1.[C:1](-[C:2])(-[O:9])=[O:10]	2	11821,39967
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[O:4]-[C:5](-[c:6])=[O:8].[c:1]-[C:2](-[N:3]-[O:9])=[N:7]	2	11853,22059
+[c:1]:[c:9]:[n:8]:[c:3](:[c:2])-[N:4]-[c:5](:[n:6]):[n:7]>>[N:4]-[c:5](:[n:6]):[n:7].[c:1]:[c:9]:[n:8]:[c:3](:[c:2])-[Cl:10]	2	11866,11867
+[N:1](-[O:2])-[C:3](-[C:4])-[C:5]>>[N:1](-[O:2])=[C:3](-[C:4])-[C:5]	2	11875,49364
+[C:1]=[N:2]>>[C:1]=[N:2]-[O:3]	2	11879,54171
+[c:1]-[S:2]-[C:3](-[C:4](=[O:5])-[O:6])(-[C:7])-[C:8]>>[C:3](-[C:4](=[O:5])-[O:6])(-[C:7])(-[C:8])-[Br:9].[c:1]-[S:2]	2	11887,17200
+[C:1]-[O:2]-[c:3](:[c:4]:[c:6]:[n:5]):[c:7]>>[c:3](:[c:4]:[c:6]:[n:5])(:[c:7])-[O:12]-[C:11]-[C:10]-1-[C:9]-[C:8]-[C:13]-1.[C:1]-[O:2]	2	11933,11934
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N:2].[C:3](=[O:4])(-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10](-[N+:8](=[O:7])-[O-:9]):[c:17]:[c:16]:1)-[Cl:15]	2	11939,19838
+[C:1](-[N:2])=[C:3](-[c:4](:[c:5]):[c:6])-[C:7](=[O:8])-[N:9]>>[C:1](-[N:2])=[C:3](-[C:7](=[O:8])-[N:9])-[Br:10].[c:4](:[c:5])(:[c:6])-[B:12](-[O:11])-[O:13]	2	11952,52874
+[N:1]-[C:2](=[O:3])-[N:4](-[c:5](:[n:6]:[c:7]:[c:8]):[c:9])-[C:10]>>[N:1]-[C:2](=[O:3])-[N:4]-[C:10].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Br:11]	2	11987,14652
+[c:1]-[O:2]-[C:3]-1=[C:4](-[C:5](=[O:6])-[N:7]-[N:8]=[C:9]-1)-[Cl:10]>>[C:3]-1(=[C:4](-[C:5](=[O:6])-[N:7]-[N:8]=[C:9]-1)-[Cl:10])-[Cl:11].[c:1]-[O:2]	2	11999,12000
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[n:7]):[c:10]>>[c:3]:1(:[c:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[n:7])-[Cl:20].[c:1]:[c:2](:[c:10])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	2	12010,19738
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8](:[n:9]):[c:11](:[n:10]):[n:12]:1>>[c:1]:1:[n:2]:[c:3](:[c:8](:[n:9]):[c:11](:[n:10]):[n:12]:1)-[Cl:13].[c:4](:[c:5]:[n:6])(:[c:7])-[B:15](-[O:14])-[O:16]	2	12026,12027
+[C:1]-[N:2]-[c:3]:1:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[n:11]:1>>[c:3]:1(:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[n:11]:1)-[Cl:12].[C:1]-[N:2]	2	12041,12042
+[N:1]-[C:2](=[N:3])-[C:4]>>[N:1]#[C:2]-[C:4].[N:3]	2	12050,38739
+[O:1]=[C:2](-[N:3])-[N:5](-[C:4])-[c:6](:[c:7]):[c:9]:[n:8]>>[c:6](:[c:7])(:[c:9]:[n:8])-[Br:10].[O:1]=[C:2](-[N:3])-[N:5]-[C:4]	2	12062,12245
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:8]:1-[C:7]>>[C:1]-[C:2](-[N:3]-[N:4])=[O:11].[C:5](-[C:6])(=[N:8]-[C:7])-[O:10]-[C:9]	2	12064,13409
+[O:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6](-[C:7](-[C:8])-[C:9](=[O:10])-[O:13])-[N:11]=[C:12]-1>>[C:7](-[C:8])(-[C:9](=[O:10])-[O:13])-[Br:14].[O:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[n:6]:[n:11]:[c:12]:1	2	12121,12122
+[O:1]=[C:2]-[C:3]-[C:4]>>[O:1]=[C:3]-[C:4].[C:2](-[O:6]-[C:5])-[P+:7](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	2	12142,54214
+[n:1]:[c:2]:1:[c:3](-[N:4]-[C:5]):[n:6]:[c:7](:[c:8]):[c:9]:[n:10]:1>>[N:4]-[C:5].[n:1]:[c:2]:1:[c:3](:[n:6]:[c:7](:[c:8]):[c:9]:[n:10]:1)-[Cl:11]	2	12191,26747
+[C:1]-[N:2](-[C:3]-[C:4](=[C:5](-[Cl:6])-[C:7])-[N:8])-[C:9]>>[C:3](-[C:4](=[C:5](-[Cl:6])-[C:7])-[N:8])-[Br:10].[C:1]-[N:2]-[C:9]	2	12199,14838
+[C:1](=[O:2])(-[c:3])-[O:4]>>[C:1](-[c:3])#[N:5].[O:2]=[S:7](=[O:6])(-[O:8])-[O:9].[O:4]	2	12220,13136
+[O:1]=[C:2](-[N:3])-[c:5]:1:[c:4]:[n:8]:[n:7]:[c:6]:1>>[C:2](#[N:3])-[c:5]:1:[c:4]:[n:8]:[n:7]:[c:6]:1.[O:1]-[O:9]	2	12265,19436
+[c:1]:1(:[c:2](-[C:3]):[c:5](-[C:4]):[n:6]:[c:7]:2:[c:8]:[c:9]:[n:10]:[n:11]:1:2)-[Cl:12]>>[C:1]-1(-[C:2](-[C:3])-[C:5](-[C:4])=[N:6]-[c:7]:2:[c:8]:[c:9]:[n:10]:[n:11]-1:2)=[O:17].[Cl:12]-[P:14](=[O:13])(-[Cl:15])-[Cl:16]	2	12277,35425
+[O:1]=[C:2](-[O:3])-[C:4](-[C:6](-[C:5](-[C:8])=[O:10])-[C:7])=[O:9]>>[C:5](-[C:6]-[C:7])(-[C:8])=[O:10].[O:1]=[C:2](-[O:3])-[C:4](=[O:9])-[O:11]-[C:13]-[C:12]	2	12286,22502
+[N:1](-[C:2]-[c:3](:[n:4]):[c:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]>>[N:1]#[C:2]-[c:3](:[n:4]):[c:5].[C:6]-[C:7](-[C:8])(-[C:9])-[O:10]-[C:11](=[O:12])-[O:20]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]	2	12291,21058
+[c:1]:1(:[n:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[C:7])-[Cl:8]>>[C:6](-[C:7])(=[O:9])-[O:10].[c:1]:1(:[n:2]:[n:3]:[c:4]:[c:5]:[c:11]:1)-[Cl:8]	2	12298,17419
+[N:1]-[C:2](=[O:3])-[O:4]-[C:5](-[O:6]-[C:7](=[O:8])-[C:9])-[C:10]>>[N:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:10])-[Cl:11].[O:6]-[C:7](=[O:8])-[C:9]	2	12309,26396
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6](:[c:7]:[n:9]:[c:10]:2):[n:8]):[n:11]:1-[C:12]>>[N:3]-[c:4]:1:[c:5](:[c:6](:[c:7]:[n:9]:[c:10]:1):[n:8])-[N:11]-[C:12].[C:1]-[C:2](-[O:13]-[C:18])(-[O:14]-[C:15])-[O:16]-[C:17]	2	12310,33217
+[C:1](=[O:2])-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1-[c:8](:[c:9]):[c:10]>>[c:8](:[c:9])(:[c:10])-[Br:11].[C:1](=[O:2])-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1-[B:13](-[O:12])-[O:14]	2	12324,21425
+[c:1]:1:[c:2]:[n:3]:[c:4]:2:[n:5]:[c:6](-[C:7]):[c:8]:[c:9]:2:[c:10]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]):[c:9](-[C:8]#[C:6]-[C:7]):[c:10]:1	2	12347,42501
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[N:7]-[C:8]):[s:9]:1>>[N:7]-[C:8].[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](:[s:9]:1)-[Br:10]	2	12372,26966
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5](=[O:6])-[N:7]>>[C:3](-[C:4])(-[C:5](=[O:6])-[N:7])-[Br:8].[c:1]-[O:2]	2	12395,26017
+[C:1](=[O:2])(-[c:3]:1:[n:4]:[c:5]:[c:6]-2:[c:7](:[c:8]:1-[O:9])-[C:10]=[C:11](-[C:12](=[O:13])-[N:14]-2)-[Br:16])-[O:15]>>[C:1](=[O:2])(-[C:7]-1=[C:6](-[C:5]-[N:4](-[C:21]-[C:19](-[O:18]-[C:17])=[O:20])-[S:22](-[c:3]:2:[c:8]:[c:29]:[c:27](:[c:26]:[c:25]:2)-[C:28])(=[O:23])=[O:24])-[N:14]-[C:12](-[C:11](=[C:10]-1)-[Br:16])=[O:13])-[O:15].[O:9]-[C:30]	2	12431,32890
+[N:1]-[C:2](=[O:3])-[C:4]-[C:5]-[N:6]>>[N:1]-[C:2](=[O:3])-[C:4]-[C:5]#[N:6]	2	12489,25942
+[C:1]-1=[C:2](-[C:3])-[N:4](-[C:5])-[N:6]-[C:7]-1=[O:8]>>[C:1]-1=[C:2](-[C:3])-[N:4]-[N:6]-[C:7]-1=[O:8].[C:5]-[I:9]	2	12497,31474
+[N:1]-[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8]>>[N+:1](-[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8])(=[O:9])-[O-:10]	2	12500,48080
+[C:1]-[C:2](-[c:3](:[c:4]):[c:5])(-[O:6])-[c:7]>>[C:1]-[C:2](=[O:6])-[c:7].[c:3](:[c:4])(:[c:5])-[Mg:9]-[Br:8]	2	12558,51057
+[C:1]-[C:2]-[O:3]-[C:4]>>[O:3]-[C:4].[C:1]-[C:2]-[O:11]-[S:8](-[O:7]-[C:6]-[C:5])(=[O:9])=[O:10]	2	12579,37402
+[N:1]-[C:2](=[O:3])-[C:4](-[O:5])=[C:6]-[N:7]>>[N:1]-[C:2](=[O:3])-[C:4](-[O:5]-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1)=[C:6]-[N:7]	2	12589,54787
+[N:1]-[C:2](=[O:3])-[C:4](-[O:5]-[C:10]-[c:9])=[C:6](-[C:7])-[N:8]>>[N:1]-[C:2](=[O:3])-[C:4](-[O:5])=[C:6](-[C:7])-[N:8].[c:9]-[C:10]-[Br:11]	2	12591,29373
+[C:1]-[C:2]-[C:3](-[C:4])(-[C:5]#[N:6])-[c:7]>>[C:3](-[C:4])(-[C:5]#[N:6])-[c:7].[C:1]-[C:2]-[Cl:8]	2	12598,33396
+[C:1]-[C:2]>>[C:1](-[C:2])-[C:3]	2	12600,19918
+[C:1](-[N:2]-[N:3]-[C:4](-[N:5]-[C:6])=[S:8])=[O:7]>>[C:4](=[N:5]-[C:6])=[S:8].[C:1](-[N:2]-[N:3])=[O:7]	2	12606,12607
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]:[c:8]:[n:7]>>[c:1]-[O:2].[S:3](=[O:4])(=[O:5])(-[c:6]:[c:8]:[n:7])-[Cl:9]	2	12635,45499
+[C:1]-[C:2](=[C:3])-[C:4]-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1]-[C:2](=[C:3])-[C:4]-[Br:8]	2	12701,14667
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[c:9]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2](-[N:3]):[c:9].[C:4](=[O:5])(-[Cl:10])-[O:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	2	12746,15702
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]=[C:2]-[C:3]-[O:10]-[C:8](-[C:7])=[O:9]	2	12782,13753
+[c:1]:[c:2]:1:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:[n:9]:1>>[N:5](-[C:6])-[C:7].[c:1]:[c:2]:1:[n:3]:[c:4](:[n:8]:[n:9]:1)-[Br:10]	2	12783,32691
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[C:7]):[n:8]:[c:9]:2:[n:10]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](-[N:5]-[C:6](-[C:7])=[O:11]):[c:9](-[N:8]):[n:10]:1	2	12799,28830
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[Br:5].[N:1](-[Si:7](-[C:6])(-[C:8])-[C:9])-[Si:10](-[C:11])(-[C:12])-[C:13]	2	12844,19835
+[O:1]-[C:2](=[O:3])-[C:4]-1-[C:5]-[C:6]-[N:7]-[C:8](-[C:9])-[C:10]-1>>[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8](-[C:9]):[c:10]:1	2	12847,38110
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[n:7]):[o:8]>>[N:5]-[c:6].[c:1](:[c:2](-[C:3](=[O:4])-[O:9]):[n:7]):[o:8]	2	12851,39432
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[O:6]-[c:7]:[c:9]:[n:8]):[n:10]:1>>[O:6]-[c:7]:[c:9]:[n:8].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:10]:1)-[S:12](-[C:11])(=[O:13])=[O:14]	2	12866,51585
+[O:1]=[C:2]-1-[N:3]-[C:4](=[C:5]-[c:6])-[C:7](-[N:8]-1)=[O:9]>>[C:5](-[c:6])=[O:18].[O:1]=[C:2]-1-[N:3]-[C:4](-[C:7](-[N:8]-1)=[O:9])-[P:13](-[O:12]-[C:11]-[C:10])(=[O:14])-[O:15]-[C:16]-[C:17]	2	12868,31214
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[N+:4](-[c:5]:[c:7]:[n:6])(=[O:9])-[O-:10].[C:1]-[C:2](=[O:3])-[Cl:8]	2	12881,13000
+[c:1](-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]):[c:7]:[s:8]>>[N:4](-[C:5])-[C:6].[c:1](-[C:2](=[O:3])-[O:9]):[c:7]:[s:8]	2	12885,16190
+[C:1]-[C:2](-[N:3])-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]#[N:3].[c:4](:[c:5])(:[c:6])-[Li:7]	2	12905,26012
+[O:1]=[C:2]-1-[C:3]=[C:4](-[O:5])-[C:6]=[C:7]-[N:8]-1-[c:9](:[c:10]):[c:12]:[n:11]>>[c:9](:[c:10])(:[c:12]:[n:11])-[Br:13].[O:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[c:6]:[c:7]:[n:8]:1	2	12912,31962
+[O:1]-[B:2](-[c:3](:[c:4]:[n:5]):[c:6])-[O:7]>>[c:3](:[c:4]:[n:5])(:[c:6])-[Br:8].[O:1]-[B:2](-[O:7])-[O:12]-[C:10](-[C:9])-[C:11]	2	12930,28301
+[C:1]-[O:2]-[C:3]=[O:4]>>[C:1](-[O:2]-[C:3]=[O:4])-[C:5]	2	12931,30881
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:10]:1:[n:9]>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:10]:1:[n:9])-[O:11].[c:1]-[N:2]	2	12993,55728
+[c:1]:[c:2](-[C:3]#[C:4]):[n:5]:[n:6]>>[C:3]#[C:4].[c:1]:[c:2](:[n:5]:[n:6])-[Cl:7]	2	12996,27821
+[N:1]-1-[C:2]=[C:3](-[C:4])-[C:5](=[S:6])-[N:7]-[C:8]-1=[O:9]>>[N:1]-1-[C:2]=[C:3](-[C:4])-[C:5](-[N:7]-[C:8]-1=[O:9])=[O:31].[S:6]=[P:19]-1(-[S:18]-[P:16](-[c:15]:2:[c:14]:[c:13]:[c:12](-[O:11]-[C:10]):[c:30]:[c:29]:2)(=[S:17])-[S:28]-1)-[c:20]:3:[c:21]:[c:22]:[c:23](-[O:24]-[C:25]):[c:26]:[c:27]:3	2	13004,36472
+[c:1](:[n:2]):[c:5]:1:[c:4](:[n:3]):[n:13]:[c:12]:[c:6]:1-[c:7](:[c:8]):[c:11]:[c:10]:[n:9]>>[c:1](:[n:2]):[c:5]:1:[c:4](:[n:3]):[n:13]:[c:12]:[c:6]:1-[I:23].[c:7](:[c:8])(:[c:11]:[c:10]:[n:9])-[B:18]-1-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-1)(-[C:21])-[C:22]	2	13052,28466
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[s:6])-[c:7]>>[O:1]=[C:2](-[c:7])-[O:9]-[C:8].[N:3]-[c:4](:[n:5]):[s:6]	2	13056,38690
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[n:9]>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[n:9])-[Cl:10]	2	13064,32909
+[C:1]-[C:11](-[N:3](-[C:2])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])=[O:12]>>[C:1]-[C:11](-[N:3]-[C:2])=[O:12].[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:18]-[C:16](-[O:15]-[C:20](-[C:13])(-[C:14])-[C:19])=[O:17]	2	13069,21161
+[O:1]=[C:2](-[C:3])-[N:5](-[C:4])-[c:6](:[n:7]:[c:8]:[c:9]):[c:10]>>[O:1]=[C:2](-[C:3])-[N:5]-[C:4].[c:6](:[n:7]:[c:8]:[c:9])(:[c:10])-[Br:11]	2	13074,28792
+[O:1]-[c:2]:1:[c:3](:[c:4](-[O:5]):[n:6]:[n:7]:[c:8]:1)-[Cl:9]>>[O:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[N:6](-[N:7]=[C:8]-1)-[C:10]-2-[C:11]-[C:12]-[C:13]-[C:14]-[O:15]-2)-[Cl:9]	2	13091,13092
+[C:1]-[C:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:9].[S:7]-[N:8]>>[C:1]-1-[C:2]-[O:12]-[C:10]-[C:11]-1.[C:3](=[O:4])(-[c:5](:[c:6]):[s:9])-[N:15](-[O:14]-[C:13])-[C:16].[S:7]-[N:8]=[C:17]-[N:18](-[C:19])-[C:20]	2	13102,13123
+[C:1](=[O:2])-[c:3]>>[O:2]-1-[C:6]-[C:5]-[C:4]-[C:7]-1.[C:1](-[c:3])#[N:8]	2	13103,13116
+[c:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[C:3]-1-[O:4]-[C:7]-[C:9]-[C:6]-1.[c:1]:[c:2](:[c:5])-[Br:8]	2	13104,13129
+[C:1]-[N:2]-[C:3]>>[C:1]-1-[O:6]-[C:5]-[C:4]-[C:7]-1.[N:2]-[C:3]	2	13125,13126
+[c:1]:[c:2](:[c:3]:[n:4])-[I:5]>>[c:1]:[c:2](:[c:3]:[n:4])-[N:6].[I:5]	2	13203,14307
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[C:7]#[C:8]-[C:9]>>[C:7]#[C:8]-[C:9].[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[I:10]	2	13223,22590
+[C:1](-[C:2]-[C:3])(-[C:4]#[N:5])-[c:6]>>[C:2](-[C:3])-[Cl:7].[C:1](-[C:4]#[N:5])-[c:6]	2	13243,29581
+[C:1]-[N:2]-[C:3]-[c:4](:[c:5]):[o:6]>>[C:3](-[c:4](:[c:5]):[o:6])=[O:7].[C:1]-[N:2]	2	13258,26748
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[N:6]):[n:7]):[n:8]>>[N:5]-[N:6].[c:1](:[c:2](-[C:3](=[O:4])-[O:9]):[n:7]):[n:8]	2	13267,13268
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[n:6]:1:[c:7]:[c:8]:[c:9]:[n:10]:1>>[n:6]:1:[c:7]:[c:8]:[c:9]:[n:10]:1.[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Br:11]	2	13306,38356
+[C:1]-[C:2](=[C:3]-[C:4]-[O:5])-[C:6]>>[C:1]-[C:2](=[C:3]-[C:4](-[O:5])=[O:7])-[C:6]	2	13325,26272
+[c:1]-[N:3](-[C:2])-[C:4](-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])=[O:7].[c:1]-[N:3]-[C:2]	2	13351,51127
+[C:1]-[C:2](-[O:3])(-[C:4]-[c:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[C:6].[C:4](-[c:5])-[Br:7]	2	13352,18702
+[C:1]-[C:2](-[O:3])(-[C:4])-[C:5]>>[C:2](=[O:3])(-[C:4])-[C:5].[C:1]-[Mg+:6]	2	13367,47554
+[N:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:7]:[n:6])-[c:8]>>[c:4](:[c:5])(:[c:7]:[n:6])-[B:11](-[O:10])-[O:12].[N:1]-[C:2]=[C:3](-[c:8])-[Br:9]	2	13396,41596
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2]#[N:6].[N:3](=[N+:5]=[N-:4])-[Si:8](-[C:7])(-[C:9])-[C:10]	2	13419,34152
+[c:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[c:6](-[C:7]):[c:8](-[C:9]#[N:10]):[c:11](-[O:12]):[n:13]:1>>[S:3]=[C:4]-1-[N:5]-[C:6](-[C:7])=[C:8](-[C:9]#[N:10])-[C:11](=[O:12])-[N:13]-1.[c:1]-[C:2]-[Cl:14]	2	13426,19029
+[c:1]-1:[c:2](:[c:3])-[C:4](-[C:5])(-[C:6])-[C:7]-[N:8]-1>>[C:4](-[C:5])(-[C:6])-[C:7]=[O:10].[c:1](:[c:2]:[c:3])-[N:8]-[N:9]	2	13429,29720
+[c:1]:1:[c:2]:[n:3]:[n:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3](:[n:4]:[n:5]:1)-[C:10]-[c:9]:2:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:2	2	13440,52816
+[Cl:1]-[C:2](-[C:3])-[c:4]>>[C:2](-[C:3])(-[c:4])-[O:9].[Cl:1]-[S:6](-[C:5])(=[O:7])=[O:8]	2	13460,25138
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[N:7]-[C:8])=[C:9]>>[N:7]-[C:8].[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:10])=[C:9]	2	13467,19059
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[n:9]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[c:8]:[n:9]:1)-[I:10].[c:5](:[c:6])(:[c:7])-[B:12](-[O:11])-[O:13]	2	13491,44210
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5]-[c:6]:[c:8]:[n:7]>>[C:1]-[N:2]=[C:3]=[S:4].[N:5]-[c:6]:[c:8]:[n:7]	2	13496,14122
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[O:7]-[C:8]):[s:9]:1>>[O:7]-[C:8].[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](:[s:9]:1)-[Cl:10]	2	13581,19170
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[s:7]:1>>[c:1]-[C:2]#[N:8].[N:3]-[N:4]-[C:5](-[N:6])=[S:7]	2	13594,42353
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8]:[n:9]>>[n:1]:[c:2]:[c:3](:[c:8]:[n:9])-[Br:10].[c:4](:[c:5]:[n:6])(:[c:7])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	2	13595,29279
+[C:1]-[C:2](=[O:3])-[N:4]-1-[C:5]-[C:6]-[c:7]:2:[n:8]:[c:9]:[c:10]:[n:11]:[c:12]:2-[C:13]-1>>[n:4]:1:[c:5]:[c:6]:[c:7]:2:[n:8]:[c:9]:[c:10]:[n:11]:[c:12]:2:[c:13]:1.[C:1]-[C:2](=[O:3])-[O:17]-[C:15](-[C:14])=[O:16]	2	13605,14143
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]:[c:6]:[s:8]):[c:7])-[C:9]>>[c:4](:[c:5]:[c:6]:[s:8])(:[c:7])-[Br:17].[C:1]-[C:2]=[C:3](-[C:9])-[B:12]-1-[O:11]-[C:19](-[C:10])(-[C:14](-[O:13]-1)(-[C:15])-[C:16])-[C:18]	2	13616,13617
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[c:7]:[c:9]:[n:8]):[o:10]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5]-[C:6](-[c:7]:[c:9]:[n:8])=[O:11])-[O:10]	2	13647,56055
+[C:1]-[N:2](-[C:3]-[C:4](=[C:5]-[C:6])-[C:8](-[N:7])=[O:9])-[C:10]>>[C:1]-[N:2]-[C:10].[C:3](-[C:4](=[C:5]-[C:6])-[C:8](-[N:7])=[O:9])-[O:15]-[S:12](-[C:11])(=[O:13])=[O:14]	2	13730,52433
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:3](-[c:4])-[N:13]-1-[C:12]-[C:11]-[N:10](-[c:9]:2:[c:8]:[c:7]:[c:6]:[c:17]:[c:16]:2)-[C:15]-[C:14]-1.[C:1]-[N:2]-[C:5]	2	13872,14285
+[C:1](=[O:2])-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1](=[O:2])-[C:3](=[O:4])-[O:8]	2	13909,13910
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5]:[n:6]:1>>[c:1]-[C:2](=[N:3]-[O:4])-[N:6].[C:5](-[O:8]-[C:7])(-[O:9]-[C:10])-[O:11]-[C:12]	2	13926,43206
+[c:1]-[C:2](-[F:3])-[C:4]>>[c:1]-[C:2](-[C:4])-[O:13].[F:3]-[S:10](-[N:7](-[C:6]-[C:5])-[C:8]-[C:9])(-[F:11])-[F:12]	2	14085,40240
+[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]#[C:3].[C:4](=[O:5])=[O:6]	2	14086,32243
+[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:[c:7]:1>>[O:1]-[c:2]:1:[c:3]:[c:7]:[c:6]:[c:5]:[c:4]:1	2	14115,32398
+[n:1]:[c:2]:[c:3](-[O:4]-[C:5]-[c:6]):[c:7]:[n:8]>>[n:1]:[c:2]:[c:3](-[O:4]):[c:7]:[n:8].[C:5](-[c:6])-[Br:9]	2	14208,34694
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-1-[C:6]=[N:7]-[c:8]:2:[c:9](-[C:10]-1=[O:11]):[c:12]:[c:13]:[s:14]:2>>[n:5]:1:[c:6]:[n:7]:[c:8]:2:[c:9](:[c:10]:1-[O:11]):[c:12]:[c:13]:[s:14]:2.[N:1]-[C:2](=[O:3])-[C:4]-[Cl:15]	2	14219,17831
+[c:1]:[c:4](:[c:3]:[n:2])-[Cl:5]>>[c:1]:[c:4](:[c:3]:[n:2])-[N:6].[Cl:5]-[Cu:7]	2	14233,33981
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7]-[c:8]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1.[C:7](-[c:8])-[Cl:9]	2	14249,48458
+[C:1]-[C:2](-[O:3])-[c:4](:[c:5]:[n:6]):[n:7]>>[C:2](=[O:3])-[c:4](:[c:5]:[n:6]):[n:7].[C:1]-[Mg:9]-[Br:8]	2	14294,28602
+[O:1]=[C:2]-[c:3](:[c:4]):[c:5]>>[O:1]=[C:2]-[N:8]-1-[C:7]-[C:6]-[O:11]-[C:10]-[C:9]-1.[c:3](:[c:4]):[c:5]	2	14360,14361
+[N:1]-[C:2]-[C:3]>>[N:1]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10](-[C:2]-[C:3]):[c:11]:2-[C:12]-1=[O:13]	2	14367,14368
+[c:1]-[C:2]=1-[N:3]-[C:4]-[C:5]-[N:6]=1>>[c:1]-[C:2]#[N:3].[C:4](-[C:5]-[N:6])-[N:7]	2	14392,42115
+[c:1]:1:[c:2]:[n:3](-[C:4]-[C:5]):[c:6](:[n:7]):[c:8]:1>>[C:4](-[C:5])-[Cl:9].[c:1]:1:[c:2]:[n:3]:[c:6](:[n:7]):[c:8]:1	2	14397,14570
+[s:1]:[c:2]:1:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[n:8]:[c:9]:1>>[s:1]:[c:2]:1:[c:3](:[n:6]:[c:7]:[n:8]:[c:9]:1)-[Cl:10].[N:4]-[C:5]	2	14402,18723
+[n:1]:[c:2]:1:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:[n:9]:1>>[N:4]-[C:5].[n:1]:[c:2]:1:[c:3](:[n:6]:[c:7]:[c:8]:[n:9]:1)-[Cl:10]	2	14413,34718
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[Cl:24].[N:4](-[C:5])-[c:17]:1:[n:16]:[c:15](-[N:14]-[c:13]:2:[c:12]:[c:11](-[O:10]-[C:9]):[n:23]:[n:22]:2):[c:20](:[c:19]:[n:18]:1)-[Cl:21]	2	14478,37030
+[N:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[s:6]:1):[c:7]:[n:8]:[c:9]:[c:10]:2>>[N:1]-[C:2](-[N:3]-[c:4]:1:[c:5]:[c:7]:[n:8]:[c:9]:[c:10]:1)=[S:6]	2	14516,50356
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[N:5]-[c:6].[C:1]-[O:2].[C:3](=[O:4])(-[O:11]-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16]	2	14564,22336
+[C:1](=[O:2])-[c:3](:[c:4]):[c:7]:[c:6]:[n:5]>>[c:3](:[c:4])(:[c:7]:[c:6]:[n:5])-[Br:8].[C:1](=[O:2])-[N:10](-[C:9])-[C:11]	2	14605,32154
+[c:1]-[C:2]-[O:3]-[c:4]:1:[n:5]:[n:6](-[c:7]):[c:8]:[c:9]:1-[C:10]=[O:11]>>[c:1]-[C:2]-[O:12].[O:3]=[C:4]-1-[N:5]-[N:6](-[c:7])-[C:8]=[C:9]-1-[C:10]=[O:11]	2	14616,15990
+[n:1]:[c:10]:1:[c:2]:[c:3](-[N:4](-[C:5])-[C:6]):[c:7]:[c:8]:[n:9]:1>>[N:4](-[C:5])-[C:6].[n:1]:[c:10]:1:[c:2]:[c:3](:[c:7]:[c:8]:[n:9]:1)-[Br:11]	2	14702,14813
+[O:1]=[C:2](-[C:3]-[N:4](-[C:5])-[C:6])-[C:7]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2](-[C:3]-[Br:8])-[C:7]	2	14715,19015
+[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5](-[C:6])-[C:7]):[s:8]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[n:2]:[c:3]:[c:4](:[s:8]:1)-[Br:9]	2	14728,15716
+[C:1]-[N:2](-[C:3](-[c:4])(-[c:5])-[c:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](-[c:4])(-[c:5])(-[c:6])-[Cl:8]	2	14815,43231
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]:[n:8]):[n:9])-[C:10]>>[C:1]-[N:2]-[C:10].[S:3](=[O:4])(=[O:5])(-[c:6](:[c:7]:[n:8]):[n:9])-[Cl:11]	2	14822,46236
+[C:1]-[N:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[C:8]>>[C:1]-[N:2]-[C:8].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[Br:9]	2	14835,15764
+[C:1]-[O:2]-[C:3](-[c:4])-[c:5]>>[C:1]-[O:2].[C:3](-[c:4])(-[c:5])-[O:6]	2	14858,54531
+[C:1]#[C:2]-[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1]#[C:2]-[C:3]-[C:4]-[O:16]-[S:13](-[c:12]:1:[c:11]:[c:10]:[c:9](-[C:8]):[c:18]:[c:17]:1)(=[O:14])=[O:15]	2	15029,29556
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[N:8](-[C:9])-[C:10]>>[N:8](-[C:9])-[C:10].[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[Cl:11]	2	15046,15593
+[N:1]-[C:2](=[O:3])-[C:4]-[C:5]-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[N:1]-[C:2](=[O:3])-[C:4]-[C:5]-[Br:9]	2	15092,49057
+[C:1]-[C:2]-1=[N:3]-[C:4](-[C:5](=[O:6])-[O:9])-[C:7]-[O:8]-1>>[C:1]-[C:2](-[N:3]-[C:4](-[C:5](=[O:6])-[O:9])-[C:7]-[O:8])=[O:10]	2	15284,15285
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[o:6]:[c:7](-[C:8]):[n:9]:1>>[O:1]-[C:2](=[O:3])-[C:4]-1-[C:5]-[O:6]-[C:7](-[C:8])=[N:9]-1	2	15286,15288
+[c:1]:[c:2](-[C:3]-[S:4]-[c:5]:1:[n:6]:[c:7](:[c:8](:[c:9]):[n:11]:1):[c:10]):[n:12]>>[c:1]:[c:2](-[C:3]-[O:13]):[n:12].[S:4]=[C:5]-1-[N:6]-[c:7](:[c:8](:[c:9])-[N:11]-1):[c:10]	2	15363,41705
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](-[C:6]):[c:8](-[O:9]):[n:10]:1)-[C:7]>>[C:4](-[C:5](-[C:6])-[C:8](=[O:9])-[O:12]-[C:11])(-[C:7])=[O:13].[C:1]-[C:2](-[N:3])=[N:10]	2	15366,41726
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[c:8](:[n:9]):[c:10]:1>>[N:6]-[C:7].[n:1]:1:[c:2]:[c:3](:[c:8](:[n:9]):[c:10]:1)-[I:13].[C:4](=[O:5])(-[C:11])-[O:12]	2	15367,15368
+[c:1]-[O:2]-[C:3]-[c:4](:[c:5]:[s:6]):[n:7]>>[C:3](-[c:4](:[c:5]:[s:6]):[n:7])-[Br:8].[c:1]-[O:2]	2	15387,18358
+[O:1]=[C:2](-[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8](=[C:9]-[O:10])-[C:11]=[O:12]>>[C:6](=[O:7])(-[C:8](=[C:9]-[O:10])-[C:11]=[O:12])-[O:15]-[C:14]-[C:13].[O:1]=[C:2](-[O:3])-[C:4]-[N:5]	2	15396,18284
+[c:1]-[N:2]-1-[C:3]=[N:4]-[c:5]:[c:6](:[s:7])-[C:8]-1=[O:9]>>[C:3](=[N:4]-[c:5]:[c:6](:[s:7])-[C:8](=[O:9])-[O:11]-[C:10])-[N:12](-[C:13])-[C:14].[c:1]-[N:2]	2	15402,32034
+[c:1]-[N:3](-[C:2])-[C:4]-[C:5](-[N:6])=[O:7]>>[c:1]-[N:3]-[C:2].[C:4](-[C:5](-[N:6])=[O:7])-[I:8]	2	15408,40168
+[n:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6](-[C:7]):[n:8]:1):[s:9]>>[n:1]:[c:2](-[C:3](-[C:4]-[C:5]-[C:6](-[C:7])=[O:11])=[O:10]):[s:9].[N:8]	2	15417,15418
+[c:1]-[S:2](=[O:3])(=[O:4])-[n:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1>>[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:10].[n:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1	2	15438,31171
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[C:8](-[N:7])=[O:9]):[c:10]>>[C:4](=[O:5])(-[N:6]-[C:8](-[N:7])=[O:9])-[Cl:11].[n:1]:[c:2](-[N:3]):[c:10]	2	15477,28706
+[n:1]:[c:2]:[c:3]-[N:7](-[C:5](-[N:4])=[O:6])-[C:8]>>[n:1]:[c:2]:[c:3]-[N:7]-[C:5](-[N:4])=[O:6].[C:8]-[I:9]	2	15480,31375
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[n:8]:1)-[Br:9].[c:5](:[c:6])(:[c:7])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	2	15484,28425
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6](-[C:7])-[C:8]):[n:9]:1>>[N:6](-[C:7])-[C:8].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:9]:1)-[S:11](-[C:10])(=[O:12])=[O:13]	2	15552,18893
+[C:1](=[O:2])(-[C:3](=[O:4])-[N:5](-[C:6])-[C:7])-[O:8]>>[N:5](-[C:6])-[C:7].[C:1](=[O:2])(-[C:3](=[O:4])-[Cl:9])-[O:8]	2	15622,39567
+[C:1]#[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]#[C:2]-[C:3]-[O:7]	2	15723,17411
+[c:1]-[C:2](-[C:3]-[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[c:1]-[C:2]-1-[C:3]-[O:4]-1	2	15743,23623
+[S:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[Cl:5].[S:1]	2	15790,17645
+[Cl:1]-[C:2]-[c:3](:[c:4]):[n:5]>>[C:2](-[c:3](:[c:4]):[n:5])-[O:10].[Cl:1]-[S:7](-[C:6])(=[O:8])=[O:9]	2	15833,17725
+[c:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1>>[c:4]:1:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1.[c:1]-[C:2](=[O:3])-[Cl:10]	2	15846,48692
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]=[O:6]>>[C:4]-[C:5]=[O:6].[O:1]-[C:2](=[O:3])-[O:8]-[C:7]	2	15848,43126
+[N:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8])-[C:9]=[O:10]>>[N:1]=[C:2](-[C:3](-[C:4])=[O:18])-[C:9]=[O:10].[C:5](-[O:12]-[C:11])(-[O:13]-[C:14])-[N:15](-[C:16])-[C:17].[N:6]-[N:7]-[c:8]	2	15864,43157
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[s:7]>>[N:4](-[C:5])-[C:6].[n:1]:[c:2](-[C:3]=[O:8]):[s:7]	2	15884,32587
+[n:1]:[c:2](-[C:3]=[C:4]-[c:5](:[n:6]):[c:7]):[c:8]:[n:9]>>[n:1]:[c:2](-[C:3]=[O:10]):[c:8]:[n:9].[C:4]-[c:5](:[n:6]):[c:7]	2	15888,15891
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]:[c:7]:[n:6]):[c:8]):[n:9]:[c:10]:[c:11]:1>>[c:1]:1:[n:2]:[c:3](:[n:9]:[c:10]:[c:11]:1)-[Cl:12].[c:4](:[c:5]:[c:7]:[n:6])(:[c:8])-[B:14](-[O:13])-[O:15]	2	15914,46486
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[S:7]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8].[N:6]-[S:7]	2	15920,26844
+[c:1]:1:[c:2](-[N:3](-[C:4])-[c:7]:[c:5]:[n:6]):[c:8]:[c:10](:[n:9]):[n:11]:[c:12]:1>>[N:3](-[C:4])-[c:7]:[c:5]:[n:6].[c:1]:1:[c:2](:[c:8]:[c:10](:[n:9]):[n:11]:[c:12]:1)-[Cl:13]	2	15949,15950
+[c:1]:[n:2]:[c:3](-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1):[n:9]:[c:10]>>[c:1]:[n:2]:[c:3](:[n:9]:[c:10])-[Cl:11].[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1	2	15962,32509
+[c:1]:[c:2](-[C:3]=[O:4]):[n:5]>>[O:4]-1-[C:7]-[C:6]-[O:10]-[C:9]-[C:8]-1.[c:1]:[c:2](-[C:3]):[n:5]	2	15992,15993
+[N:1](=[S:2](=[O:3])(-[C:4])-[C:5])-[C:8](-[C:6])=[O:7]>>[S:2](=[O:3])(-[C:4])-[C:5].[N:1]-[C:8](-[C:6])=[O:7]	2	16001,25171
+[c:1]-[C:2](-[O:3])-[C:4]-[O:5]>>[O-:3]-[N+:7]-1(-[C:6])-[C:8]-[C:9]-[O:10]-[C:11]-[C:12]-1.[c:1]-[C:2]=[C:4].[O:5]=[Os:14](=[O:13])(=[O:15])=[O:16]	2	16021,16023
+[c:1](:[c:2](-[F:3]):[c:4]):[n:5]>>[F:3]-[N+:11]-1-2-[C:10]-[C:9]-[N+:8](-[C:7]-[Cl:6])(-[C:13]-[C:12]-1)-[C:15]-[C:14]-2.[c:1](:[c:2]:[c:4]):[n:5]	2	16029,16032
+[c:1]-[C:2](=[O:3])-[C:4]>>[c:1]-[C:2]-[C:4].[O:3]=[C:6](-[C:5])-[C:7]	2	16042,26323
+[O:1]=[C:2](-[C:3])-[N:5]-[c:6].[C:4]-[O:7]>>[O:1]=[C:2](-[C:3])-[O:7]-[C:4].[N:5]-[c:6]	2	16056,40221
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[c:6]>>[C:1]-[N:2]-[c:6].[C:3](-[C:4])(-[C:5])-[I:7]	2	16073,26933
+[C:1](-[C:2](=[O:3])-[C:4])-[P:5]>>[C:2](=[O:3])(-[C:4])-[O:8]-[C:7]-[C:6].[C:1]-[P:5]	2	16082,33270
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[O:2]-[C:3](=[O:4])-[C:5].[C:1](-[Cl:6])-[Cl:7]	2	16132,35120
+[N:1]-[C:10](-[C:9]-[N:3](-[C:2])-[c:4](:[n:5]:[c:6]:[c:7]):[c:8])=[O:11]>>[N:1]-[C:10](-[C:9]-[N:3]-[C:2])=[O:11].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:12]	2	16183,16185
+[c:1]-[n:2]:1:[c:3](-[C:4]):[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[c:1]-[N:2]-[c:7](:[c:6](-[N:5]-[C:3](-[C:4])=[O:10]):[c:9]):[c:8]	2	16238,53646
+[N:1]-[c:2](:[c:3]):[c:5]:[n:4]>>[c:2](:[c:3])(:[c:5]:[n:4])-[Br:6].[N:1]	2	16242,38332
+[n:1]:[c:2]:[c:3](-[N:4]):[c:5]>>[n:1]:[c:2]:[c:3](:[c:5])-[Br:7].[N:4]=[C:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:6]:[c:19]:1)-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2	2	16243,26051
+[n:1]:[c:2]:[c:3]-[O:4]-[c:5](:[c:6]):[c:8]:[n:7]>>[n:1]:[c:2]:[c:3]-[O:4].[c:5](:[c:6])(:[c:8]:[n:7])-[Br:9]	2	16271,26215
+[c:1](:[n:2]:[c:3](-[S:4]):[c:5]):[c:6]>>[c:1](:[n:2]:[c:3](:[c:5])-[Cl:7]):[c:6].[S-2:4]	2	16304,48111
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[O:6])-[C:7]>>[N:3](-[C:4](=[O:5])-[O:6])-[C:7].[C:1]-[C:2]-[Br:8]	2	16306,25037
+[c:1]:[c:3](:[n+:2])-[C:4]-[O:5]>>[c:1]:[c:3](:[n+:2])-[C:4].[O:5]-[C:6]	2	16313,32938
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2]#[N:3].[N+:4](=[N:5]-[Si:8](-[C:7])(-[C:9])-[C:10])=[N-:6]	2	16377,34135
+[n:1]:1:[c:2](-[I:3]):[c:4]:[c:5]:[c:6]:1>>[n:1]:1:[c:2]:[c:4]:[c:5]:[c:6]:1.[I:3]-[N:11]-1-[C:9](-[C:8]-[C:7]-[C:13]-1=[O:12])=[O:10]	2	16401,27576
+[c:1]-[C:2]=[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[C:2]=[O:7].[C:3]-[c:4](:[n:5]):[c:6]	2	16424,34712
+[c:1]-[C:2]-[N:3]-[C:4]=[O:5]>>[N:3]-[C:4]=[O:5].[c:1]-[C:2]=[O:6]	2	16442,16443
+[c:1]:1(:[n:2]:[c:3](-[c:4]):[c:5]:[c:6]:2:[n:7]:[c:8]:[c:9]:[n:10]:1:2)-[Cl:11]>>[C:1]-1(-[N:2]-[C:3](-[c:4])=[C:5]-[c:6]:2:[n:7]:[c:8]:[c:9]:[n:10]-1:2)=[O:16].[Cl:11]-[P:13](=[O:12])(-[Cl:14])-[Cl:15]	2	16470,35188
+[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[c:6](:[c:7]):[c:8])-[C:9]-1=[O:10]>>[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[C:9]-1=[O:10])-[Br:11].[c:6](:[c:7])(:[c:8])-[B:13](-[O:12])-[O:14]	2	16494,19413
+[c:1]:[c:2](-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-1):[c:10]>>[c:1]:[c:2](:[c:10])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[C:3]-1(=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-1)-[I:20]	2	16495,16496
+[C:1]-[C:2](-[C:3])(-[C:4])-[c:7](:[c:5]):[c:6]>>[C:1]-[C:2](=[C:3])-[C:4].[c:5]:[c:7]:[c:6]	2	16506,37410
+[N:1]-1-[C:2](=[O:3])-[N:4](-[C:5])-[C:6](=[O:7])-[C:8]=[C:9]-1>>[N:1]-1-[C:2](=[O:3])-[N:4]-[C:6](=[O:7])-[C:8]=[C:9]-1.[C:5]-[O:12]-[S:15](=[O:10])(=[O:11])-[O:14]-[C:13]	2	16507,17701
+[C:1]-[c:2]:1:[c:3]:[c:4]:[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:1]-[C:2](-[C:3]=[C:4])=[O:10].[N:5]-[c:6](:[c:7]:[c:8]):[c:9]	2	16513,16522
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6](:[c:7]):[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]=[C:5].[c:6](:[c:7])(:[c:8])-[I:9]	2	16539,30603
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[O:7]>>[C:1]=[O:8].[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[O:7]	2	16584,16620
+[c:1]:[c:2](-[C:3](-[O:4]-[C:6])=[O:7]):[c:5]>>[C:3]=[O:7].[O:4]-[C:6].[c:1]:[c:2](:[c:5])-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15]	2	16608,16641
+[O:1]-[C:2]-[C:3]-[c:4]>>[O:1]=[C:2].[C:3]-[c:4]	2	16666,16726
+[C:1](-[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1)-[O:7]>>[C:1]=[O:7].[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1	2	16674,16751
+[c:1]:[c:8](-[C:3](-[C:2]-[O:10])(-[C:4](=[O:5])-[N:6])-[c:7]):[n:9]>>[C:2]=[O:10].[c:1]:[c:8](-[C:3](-[C:4](=[O:5])-[N:6])-[c:7]):[n:9]	2	16679,16684
+[O:1]-[C:2]-[C:3](-[C:4])(-[C:5]#[N:6])-[c:7]>>[O:1]=[C:2].[C:3](-[C:4])(-[C:5]#[N:6])-[c:7]	2	16738,16752
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:7]:[c:8]:2:[s:9]:[c:10]:[c:11]:[c:12]:2:[c:13]:1-[c:14]>>[C:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:16].[N:7]-[c:8]:1:[s:9]:[c:10]:[c:11]:[c:12]:1-[C:13](-[c:14])=[O:15]	2	16798,37197
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:3]=[C:4](-[c:5])-[N:6]-[O:7].[C:1]-[C:2](-[O:11]-[C:9](-[C:8])=[O:10])=[O:12]	2	16826,16903
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[n:7]>>[C:1]-[C:2](=[O:3])-[O:11]-[C:9](-[C:8])=[O:10].[N:4]-[c:5](:[n:6]):[n:7]	2	16827,16965
+[c:1](-[O:2]-[C:5](-[C:6])=[O:7]):[c:3]:[n:4]>>[c:1](-[O:2]):[c:3]:[n:4].[C:5](-[C:6])(=[O:7])-[O:11]-[C:9](-[C:8])=[O:10]	2	16868,16877
+[c:1]:[c:2]:1-[N+:3](-[C:4](-[C:5]=[C:6]-[c:7]:1:[c:8])=[O:10])-[O-:9]>>[O:10]=[C:15](-[O:14]-[C:12](-[C:11])=[O:13])-[C:16].[c:1]:[c:2]:1:[n+:3](:[c:4]:[c:5]:[c:6]:[c:7]:1:[c:8])-[O-:9]	2	16886,16956
+[O:1]=[C:2]-1-[N+:3](=[C:4]-[C:5]=[C:6]-[C:7]-1-[c:8])-[O-:15]>>[O:1]=[C:13](-[O:12]-[C:10](-[C:9])=[O:11])-[C:14].[c:2]:1:[n+:3](:[c:4]:[c:5]:[c:6]:[c:7]:1-[c:8])-[O-:15]	2	16897,17020
+[c:1](-[N:2]-[C:9](-[C:8])=[O:10]):[c:3](-[N+:4](=[O:6])-[O-:7]):[c:5]>>[C:8]-[C:9](=[O:10])-[O:14]-[C:12](-[C:11])=[O:13].[N+:4](=[O:6])(-[O-:7])-[O:15].[c:1](-[N:2]):[c:3]:[c:5]	2	16929,16930
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[c:11]>>[C:1]-[C:2](-[O:12]-[C:15](-[C:14])=[O:16])=[O:13].[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[c:11]	2	16962,17025
+[n+:1]:[c:2](:[c:3])-[C:5](-[C:4])-[O:6]-[C:12](=[O:7])-[C:11]>>[O:6](-[C:9](-[C:8])=[O:10])-[C:12](=[O:7])-[C:11].[n+:1]:[c:2](:[c:3])-[C:5]-[C:4]	2	16988,16996
+[C:1]-[C:2](=[O:3])-[n:4]:1:[c:5](:[c:6]):[c:7]:[c:8]:[c:9]:1:[c:10]>>[C:1]-[C:2](=[O:3])-[O:14]-[C:12](-[C:11])=[O:13].[n:4]:1:[c:5](:[c:6]):[c:7]:[c:8]:[c:9]:1:[c:10]	2	16994,17071
+[O:1]=[C:2]-1-[C:3]=[C:4](-[O:5])-[C:6]=[C:7]-[N+:8]-1-[O-:15]>>[O:1]=[C:13](-[O:12]-[C:10](-[C:9])=[O:11])-[C:14].[c:2]:1:[c:3]:[c:4](-[O:5]):[c:6]:[c:7]:[n+:8]:1-[O-:15]	2	16999,17042
+[C:1](-[N:2]-[C:3](-[C:4])=[O:5])-[C:6](=[O:7])-[N:8]>>[C:3](-[C:4])(=[O:5])-[O:12]-[C:10](-[C:9])=[O:11].[C:1](-[N:2])-[C:6](=[O:7])-[N:8]	2	17013,17014
+[C:1]-[C:2](-[C:3])=[O:4]>>[C:3]-[C:9](-[O:8]-[C:6](-[C:5])=[O:7])=[O:10].[C:1]-[C:2](=[O:4])-[O:11]	2	17026,17029
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[c:6](:[n:7]):[c:8])-[C:9]-1(-[Br:10])-[C:11](=[O:12])-[N:13]-[C:14]-1>>[C:1]-[C:2](=[O:3])-[O:18]-[C:16](-[C:15])=[O:17].[C:9]-1(-[Br:10])-[C:11](=[O:12])-[N:13]-[C:14]-1.[O:4]=[C:5]-[c:6](:[n:7]):[c:8]	2	17061,17062
+[c:1]-[C:2](-[C:3]#[C:4]-[C:6])-[O:5]>>[C:3]#[C:4]-[C:6].[c:1]-[C:2]=[O:5]	2	17143,43810
+[c:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[C:6]-[O:7]-1>>[c:1]-[C:2](-[C:3]#[C:4]-[C:6]-[O:7])=[O:5]	2	17145,53669
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[n:8]):[c:9]:[n:10]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:11]):[c:9]:[n:10].[N:5]-[c:6](:[n:7]):[n:8]	2	17146,35957
+[c:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1>>[c:1]-[C:2]-[Br:8].[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1	2	17161,48679
+[c:1]-1:[c:2]-[N:3]-[C:4](=[O:5])-[C:6](-[C:7])(-[C:8])-[O:9]-1>>[C:4](=[O:5])(-[C:6](-[C:7])(-[C:8])-[Br:11])-[Br:10].[c:1](:[c:2]-[N:3])-[O:9]	2	17170,17171
+[C:1]-[N:2]-[C:3](-[C:4](=[O:5])-[O:6])-[C:7]>>[C:3](-[C:4](=[O:5])-[O:6])(-[C:7])=[O:8].[C:1]-[N:2]	2	17174,30214
+[C:1]-[C:2]-[O:3]-[C:4](=[O:5])-[C:6]>>[C:1]-[C:2]-[Br:7].[O:3]-[C:4](=[O:5])-[C:6]	2	17185,44144
+[N:1]-1-[C:2](-[C:3]-[c:4](:[n:5]):[c:6]-1)=[O:7]>>[N+:1](-[c:6]:[c:4](-[C:3]-[C:2](=[O:7])-[O:9]-[C:8]):[n:5])(=[O:10])-[O-:11]	2	17195,17196
+[C:1]-[C:2]-1(-[C:3])-[O:4]-[B:5]-[O:6]-[C:7]-1(-[C:8])-[C:9]>>[C:1]-[C:2](-[C:3])(-[C:7](-[C:8])(-[C:9])-[O:11])-[O:10].[O:4]-[B:5]-[O:6]	2	17210,17211
+[c:1](-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]):[c:7]:[s:8]>>[c:1](-[N:2]-[C:6]):[c:7]:[s:8].[C:3](=[O:4])(-[c:5])-[Cl:9]	2	17280,49890
+[c:1](-[N:2]):[c:3]:[s:4]>>[c:1](-[N:2]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]):[c:3]:[s:4]	2	17286,24200
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[C:1]-[C:2](-[C:8]-[C:6]#[N:7])=[O:9].[N:4]-[c:5].[N:3](=[O:10])-[O:11]	2	17303,26427
+[C:1]-[C:2](=[O:3])-[O:4]-[c:5]:[c:7]:[n:6]>>[C:1]-[C:2](=[O:3])-[Cl:8].[O:4]-[c:5]:[c:7]:[n:6]	2	17345,26399
+[N:1]-[c:2]:[c:4]:[n:3]>>[N:1](-[c:2]:[c:4]:[n:3])-[C:9](-[C:6](-[C:5])(-[C:7])-[C:8])=[O:10]	2	17402,17559
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:7](-[C:4](-[C:3])(-[C:5])-[C:6])=[O:8]	2	17427,17568
+[n:1]:1:[c:2]:[c:3]:[c:4](-[N:5](-[C:6])-[C:8](-[C:7])=[O:9]):[n:10]:1>>[n:1]:1:[c:2]:[c:3]:[c:4](:[n:10]:1)-[I:11].[N:5](-[C:6])-[C:8](-[C:7])=[O:9]	2	17428,52617
+[c:1]:1:[c:2]:[n:3]:[n:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3](:[n:4]:[n:5]:1)-[C:13]-[O:12]-[C:10](-[C:7](-[C:6])(-[C:8])-[C:9])=[O:11]	2	17431,17577
+[C:1]-[C:2](-[C:3])-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2](-[C:3])(-[C:4](=[O:5])-[O:6])-[C:8](=[O:7])-[O:9]	2	17435,44176
+[C:1]-[c:2]:1:[c:3](-[N:4]):[n:5]:[n:6]:[c:7]:1-[N:8]>>[C:1]-[C:2](-[C:3]#[N:4])-[C:7]#[N:8].[N:5]-[N:6]	2	17441,38413
+[C:1](-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6])-[C:7](=[O:8])-[O:9]>>[C:1](-[N:2])-[C:7](=[O:8])-[O:9].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:10]	2	17456,44072
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6]):[c:7](-[N:8]):[n:9]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5]-[C:6])-[N:9].[C:7](#[N:8])-[Br:10]	2	17462,29436
+[n:1]:[c:11]:[c:3](:[n:2])-[C:4](=[O:5])-[N:6]-[C:7]-[C:8](=[O:9])-[N:10]>>[N:6]-[C:7]-[C:8](=[O:9])-[N:10].[n:1]:[c:11]:[c:3](:[n:2])-[C:4](=[O:5])-[O:12]	2	17503,23109
+[C:1]-[C:7](-[N:3](-[c:2])-[C:4]-[C:5]=[O:6])=[O:8]>>[C:1]-[C:7](-[N:3]-[c:2])=[O:8].[C:4](-[C:5]=[O:6])-[Br:9]	2	17508,23666
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:2:[c:7]:[n:8]:[c:9]:[c:10]:[n:11]:1:2>>[C:1]-[C:2](-[N:3]-[C:4](-[c:5])-[c:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:[n:11]:1)=[O:12]	2	17523,55911
+[n:1]:[c:2]:[c:3]:[c:4](-[O:5]-[c:6]):[c:7]>>[n:1]:[c:2]:[c:3]:[c:4](:[c:7])-[Br:8].[O:5]-[c:6]	2	17556,25697
+[N:1]-[c:2](:[n:3]):[n:4]>>[N:1](-[c:2](:[n:3]):[n:4])-[C:9](-[C:6](-[C:5])(-[C:7])-[C:8])=[O:10]	2	17563,26987
+[C:1]-[O:2].[O:3]-[C:4](-[C:5])(-[C:6])-[C:7]>>[C:1]-[O:2]-[C:4](-[O:3])(-[C:6])-[C:7].[C:5]-[Mg:9]-[I:8]	2	17584,40585
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](:[n:9]:1)-[O:10]>>[C:1]-[C:2]-1=[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:10])-[O:11]-1.[N:9]	2	17614,40818
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:7](-[C:6])=[O:8]>>[C:1]-[C:2](=[O:3])-[Cl:9].[N:4](-[C:5])-[C:7](-[C:6])=[O:8]	2	17633,17634
+[N:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:[n:7]:1>>[c:2]:1(:[n:3]:[c:4]:[c:5]:[c:6]:[n:7]:1)-[S:9]-[C:8].[N:1]	2	17672,27066
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2]#[N:3].[N+:4](=[N:5]-[Sn:8](-[C:7])(-[C:9])-[C:10])=[N-:6]	2	17703,34253
+[n:1]:[c:2](-[N:3]-1-[N:4]-[C:5]=[C:6]-[C:7]-1=[O:8]):[c:9]>>[n:1]:[c:2](-[N:3]-[N:4]):[c:9].[C:5](=[C:6]-[C:7](=[O:8])-[O:12]-[C:11]-[C:10])-[N:13](-[C:14])-[C:15]	2	17723,31992
+[n:1]:[c:2]:[c:3]-[C:4]-[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:6]	2	17740,39091
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]-[O:4].[O:3]-[Cl:5]	2	17745,41612
+[C:1]=[C:2]-[C:3]-[c:4](:[c:5]:[c:7]:[n:6]):[c:8]-[O:9]>>[C:1]=[C:2]-[C:3]-[O:9]-[c:8]:[c:4]:[c:5]:[c:7]:[n:6]	2	17748,51437
+[c:1](:[n:2]:[c:3](-[N:4]-[C:5]):[c:6]:[c:7]:[n:8]):[c:9]>>[N:4]-[C:5].[c:1](:[n:2]:[c:3](:[c:6]:[c:7]:[n:8])-[Cl:10]):[c:9]	2	17769,50199
+[c:1]:1:[n:2]:[c:3](:[c:4]):[n:6](:[n:5]):[c:7](-[O:8]-[C:9]):[c:10]:1>>[O:8]-[C:9].[c:1]:1:[n:2]:[c:3](:[c:4]):[n:6](:[n:5]):[c:7](:[c:10]:1)-[Cl:11]	2	17801,27640
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1.[c:1]:[c:2](:[c:9])-[Mg:11]-[Cl:10]	2	17822,48974
+[c:1]:1:[n:2]:[n:3]:[c:4]:2-[C:5]-[N:6]-[C:7]-[C:8]-[n:9]:1:2>>[c:1]:1:[n:2]:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[c:8]:[n:9]:1:2	2	17827,57320
+[N:1](-[C:2](-[C:3])-[C:5](-[N:4])=[O:6])=[N+:8]=[N-:7]>>[C:2](-[C:3])(-[C:5](-[N:4])=[O:6])-[Br:9].[N-:1]=[N+:8]=[N-:7]	2	17834,47922
+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-1-[C:8]-[c:9]>>[C:8](-[c:9])-[Br:10].[C:1]-[C:2]=1-[N:3]-[N:4]-[C:5](=[O:6])-[N:7]=1	2	17869,17871
+[C:1]-[N:2]-[c:3]:1:[n:4]:[s:5]:[c:6]:[c:7]:1>>[c:3]:1(:[n:4]:[s:5]:[c:6]:[c:7]:1)-[Cl:8].[C:1]-[N:2]	2	17875,42117
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1>>[c:1]:1:[c:2]:[n:3](:[c:4]:[c:5]:1)-[S:11](-[c:10]:2:[c:9]:[c:8]:[c:7](-[C:6]):[c:15]:[c:14]:2)(=[O:12])=[O:13]	2	17889,55468
+[c:1]:[c:2](-[N:3]):[n:4]>>[c:1]:[c:2](-[N:3]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1):[n:4]	2	17903,56403
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]):[n:6]>>[O:5]-[C:8](-[C:7])(-[C:9])-[C:10].[c:1]:[c:2](-[C:3]=[O:4]):[n:6]	2	17922,17987
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[N:6]-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[O:9]-[C:10](-[C:11])(-[C:12])-[C:13].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:7](=[O:8])-[O:14].[N:6](=[N+:16]=[N-:15])-[P:17](=[O:18])(-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1)-[c:25]:2:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:2	2	17932,17984
+[C:1](-[C:2](-[O:3])-[c:4])-[O:5]>>[O:3]-[C:7](-[C:6])(-[C:8])-[C:9].[C:1]=[C:2]-[c:4].[O:5]	2	17935,17941
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[N:6]-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]>>[C:7]-[C:8](-[C:9])(-[C:10])-[O:11].[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:12](=[O:13])-[O:14].[N:6](=[N+:16]=[N-:15])-[P:17](=[O:18])(-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1)-[c:25]:2:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:2	2	17952,17955
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:9]:1:[c:10]:[s:11]:[c:12]:[c:13]:1>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5].[C:6](=[O:7])(-[c:9]:1:[c:10]:[s:11]:[c:12]:[c:13]:1)-[O:14].[N:8](=[N+:16]=[N-:15])-[P:17](=[O:18])(-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1)-[c:25]:2:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:2	2	17956,17972
+[C:1](-[C:2](=[O:3])-[C:4])-[C:5]=[O:6]>>[C:1](-[C:2](=[O:3])-[C:4])(-[C:5]=[O:6])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	2	18003,21499
+[O:1]-[N:2]=[C:3](-[C:4](=[O:5])-[O:7])-[c:6]>>[O:1]-[N:2].[C:3](-[C:4](=[O:5])-[O:7])(-[c:6])=[O:8]	2	18030,47032
+[c:1]:1:[c:2]:[n:3](-[S:4](=[O:5])(=[O:6])-[C:7]):[c:8]:[c:9]:1>>[c:1]:1:[c:2]:[n:3]:[c:8]:[c:9]:1.[S:4](=[O:5])(=[O:6])(-[C:7])-[Cl:10]	2	18096,41360
+[C:1](=[O:2])(-[C:3]-[N:4](-[c:5])-[S:6])-[O:7]>>[N:4](-[c:5])-[S:6].[C:1](=[O:2])(-[C:3]-[Br:8])-[O:7]	2	18109,30653
+[O:1]=[C:2](-[C:3]-[N:4](-[C:5])-[C:7](-[N:6])=[O:8])-[O:9]>>[O:1]=[C:2](-[C:3]-[Br:10])-[O:9].[N:4](-[C:5])-[C:7](-[N:6])=[O:8]	2	18131,30678
+[O:1]=[C:2](-[O:3])-[C:4]-[N:5](-[C:6](=[O:7])-[N:8])-[c:9]>>[O:1]=[C:2](-[O:3])-[C:4]-[Br:10].[N:5](-[C:6](=[O:7])-[N:8])-[c:9]	2	18158,18634
+[C:1]-[C:2]-1=[C:3]-[C:4]=[C:5](-[N:6]-[C:15](=[O:14])-[O:16])-[C:7](=[O:8])-[N:9]-1-[C:10]-[C:11](=[O:12])-[O:13]>>[C:10](-[C:11](=[O:12])-[O:13])-[Br:17].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[N:6]-[C:15](=[O:14])-[O:16]):[c:7](-[O:8]):[n:9]:1	2	18162,18164
+[C:1]-[C:2](-[O:5]-[N:4]=[C:3])=[O:6]>>[C:1]-[C:2](=[O:6])-[O:7].[C:3]=[N:4]-[O:5]	2	18182,23589
+[O:1]=[C:2](-[C:3]-[c:4](:[c:5]:[n:6]):[c:7])-[O:8]>>[O:1]=[C:2](-[C:3]-[Zn+:10])-[O:8].[c:4](:[c:5]:[n:6])(:[c:7])-[Br:9]	2	18331,18332
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]=[N:6]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5]=[N:6])-[Cl:7]	2	18421,19720
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:1):[c:8]:[c:9]:[c:10]:[n:11]:2>>[C:1]-[C:2](-[C:7])=[O:12].[N:3]-[c:4]:1:[c:5](-[C:6]=[O:13]):[c:8]:[c:9]:[c:10]:[n:11]:1	2	18460,20036
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[c:8]:1:[s:9]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1:[s:9])-[Cl:10].[O:6](-[c:7])-[c:21]:1:[c:20]:[c:19]:[n:18]:[c:17]:2:[c:16]:[c:15](-[c:14]:3:[s:13]:[c:12]:[c:11]:[n:24]:3):[s:23]:[c:22]:1:2	2	18510,41355
+[C:1]-[C:2](-[C:3]-[Cl:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2]=[C:3]-[Cl:4].[c:5](:[c:6])(:[c:7])-[Br:8]	2	18525,21874
+[C:1]-[N:2]-[c:3]:[c:4]:[n:5]>>[C:1]-[N:2](-[c:3]:[c:4]:[n:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	2	18531,21927
+[C:1]-[C:2](-[C:3])-[C:5](-[N:4])=[O:6]>>[C:2](-[C:3])-[C:5](-[N:4])=[O:6].[C:1]-[I:7]	2	18538,31411
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:14].[N:4](-[C:5])(-[C:6])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	2	18548,19478
+[O:1]=[C:2](-[C:3]-[N:5]-[C:4])-[O:6]>>[O:1]=[C:2](-[C:3]-[N:5](-[C:4])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13])-[O:6]	2	18557,22335
+[c:1]-[N:2](-[C:3])-[c:4]:[c:6]:[n:5]>>[c:1]-[N:2]-[c:4]:[c:6]:[n:5].[C:3]-[I:7]	2	18613,31752
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[s:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[s:8]:1)-[Br:9].[N:5](-[C:6])(-[C:7])-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16]	2	18683,18819
+[N:1]#[C:2]-[C:3]-[O:4]-[C:5]>>[O:4]-[C:5].[N:1]#[C:2]-[C:3]-[Br:6]	2	18693,18776
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]>>[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8].[C:1]-[C:2]-[O:9]-[S:11](-[C:10])(=[O:12])=[O:13]	2	18695,19587
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]>>[n:1]:[c:2]:[c:3]-[C:4]#[N:6].[O:5]	2	18780,42926
+[O:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:5](-[C:6])(=[O:8])-[O:9].[O:1]-[C:2](-[N:3]-[O:4])=[N:7]	2	18860,38470
+[C:1]-[C:2]-[C:3](-[C:4])-[O:5]>>[C:1]-[C:2]=[C:3]-[C:4].[O:5]-[O:6]	2	18877,47318
+[N:1]#[C:2]-[c:3]:1:[c:4](:[n:5]):[c:6]:[c:7]:[c:8]:[n:9]:1>>[c:3]:1(:[c:4](:[n:5]):[c:6]:[c:7]:[c:8]:[n:9]:1)-[Cl:10].[N:1]#[C:2]	2	18911,41037
+[c:1]:1:[c:2]:[n:3](-[S:4](-[C:5])(=[O:6])=[O:7]):[c:8](:[c:9]):[c:10]:1>>[c:1]:1:[c:2]:[n:3]:[c:8](:[c:9]):[c:10]:1.[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:11]	2	18919,44684
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[C:6]#[N:7]>>[C-:6](#[N:7])~[Cu+2:11]~[C-:10]#[N:9].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[I:8]	2	18945,41396
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]#[N:8].[O:3](-[C:5]-[C:4])-[C:6]-[C:7]	2	18951,24799
+[C:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2:[o:10]:1>>[C:1]-[C:2]#[C:3].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1-[O:10])-[I:11]	2	18958,19011
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:1]-[C:2](=[N:3]-[O:9])-[N:7].[O:4]-[C:5](-[C:6])=[O:8]	2	19013,54717
+[C:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1:[n:8]>>[C:1]-[C:2]-[Br:9].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1:[n:8]	2	19033,29622
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[N:6]-[c:7](:[n:8]):[c:10]:[n:9]):[c:11]:1>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:11]:1)-[Cl:12].[N:6]-[c:7](:[n:8]):[c:10]:[n:9]	2	19089,53713
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[c:7](:[c:8]):[n:11]:[c:10]:[c:9]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1.[c:7](:[c:8])(:[n:11]:[c:10]:[c:9])-[Cl:12]	2	19104,19245
+[N:1]-[C:2]-1(-[C:3])-[C:4]-[C:5]-1>>[N:1]-[C:2](-[C:3])=[O:8].[C:4]-[C:5]-[Mg:7]-[Br:6]	2	19111,22302
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[N:6])-[c:7]>>[N:3](-[C:4](=[O:5])-[N:6])-[c:7].[C:1]-[C:2]-[Cl:8]	2	19128,54949
+[c:1]-[S:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[O:6].[c:1]-[S:2]	2	19188,38852
+[C:1]-[C:2](-[C:3])-[O:4]-[C:5](=[O:6])-[N:7]>>[C:1]-[C:2](-[C:3])(-[O:4]-[C:5](=[O:6])-[N:7])-[C:8]	2	19195,19331
+[O:1]=[C:2]-1-[C:3]-[C:4]-[C:5](-[c:6])=[N:7]-[N:8]-1>>[O:1]=[C:2](-[C:3]-[C:4]-[C:5](-[c:6])=[O:12])-[O:11]-[C:10]-[C:9].[N:7]-[N:8]	2	19212,42295
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:[c:9]:1>>[N:5](-[C:6])(-[C:7])-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:8]:[c:9]:1)-[Cl:17]	2	19310,23053
+[C:1]-[C:2](=[O:3])-[N:4]>>[C:2](=[O:3])(-[N:4])-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8].[C:1]-[C:11](=[O:10])-[Cl:12]	2	19312,24115
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]:[c:7]:[o:8]>>[c:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[c:6]:[c:7]:[o:8])-[Cl:9]	2	19324,25723
+[c:1]:1:[c:2](-[c:3](:[c:4]:[n:5]):[c:6]):[c:7]:[n:8]:[n:9]:1>>[c:1]:1:[c:2](:[c:7]:[n:8]:[n:9]:1)-[Br:10].[c:3](:[c:4]:[n:5])(:[c:6])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	2	19326,22363
+[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:9]	2	19390,32264
+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8]:[n:9]:1>>[c:4](:[c:5]:[n:6])(:[c:7])-[Cl:19].[n:1]:1:[c:2]:[c:3](:[c:8]:[n:9]:1)-[B:14]-2-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-2)(-[C:17])-[C:18]	2	19500,28515
+[O:1]-[C:2](=[C:3]-[c:4](:[n:5]):[c:6])-[C:7]=[O:8]>>[O:1]-[C:2]-[C:7]=[O:8].[C:3](-[c:4](:[n:5]):[c:6])=[O:9]	2	19511,19523
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7](:[c:8]):[o:10]:1):[c:9]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:11].[C:5](-[c:6](:[c:7](:[c:8])-[O:10]):[c:9])=[O:12]	2	19555,29632
+[c:1](:[n:2]:[c:3](-[c:4](:[c:5]:[c:6]:[n:7]):[c:8]):[c:9]):[c:10]>>[c:1](:[n:2]:[c:3](:[c:9])-[Cl:20]):[c:10].[c:4](:[c:5]:[c:6]:[n:7])(:[c:8])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	2	19559,28355
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:[c:7]:1:[n:6]>>[n:2]:1:[c:3]:[n:4]:[c:5]:[c:7]:1:[n:6].[C:1]-[I:8]	2	19582,31586
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:8]:1)-[Cl:9]	2	19625,23617
+[c:1]:[c:10]:[n:9]:[c:3](:[c:2])-[C:4](-[C:5](=[O:6])-[N:7])-[c:8]>>[c:1]:[c:10]:[n:9]:[c:3](:[c:2])-[Cl:11].[C:4](-[C:5](=[O:6])-[N:7])-[c:8]	2	19790,23129
+[C:1](=[N:2])-[N:3]>>[C:1](=[N:2])-[N:3]-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]	2	19842,20144
+[C:1]-[C:2]-1-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[N:9]-1-[C:10]>>[C:1]-[C:2]=[O:11].[C:3](=[O:4])(-[N:5]-[C:6]-[C:7](=[O:8])-[O:17])-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15].[N:9]-[C:10]	2	19865,19866
+[C:1](-[C:2]-[N:3])=[C:4]>>[C:1](-[C:2]-[N:3]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11])=[C:4]	2	19939,20433
+[c:1]-[C:2]-[C:3](-[C:4])-[C:6](-[O:5])=[O:7]>>[C:3](-[C:4])-[C:6](-[O:5])=[O:7].[c:1]-[C:2]-[I:8]	2	19945,23336
+[C:1]-[C:2]=[C:3](-[C:4]-[O:5])-[C:6]>>[C:1]-[C:2]=[C:3](-[C:4](-[O:5])=[O:7])-[C:6]	2	19957,56590
+[C:1](-[C:2]=[C:3]-[C:4])-[C:6](-[N:5])=[O:7]>>[C:1](-[C:2]=[C:8])-[C:6](-[N:5])=[O:7].[C:3](-[C:4])=[C:9]	2	19968,23474
+[n:1]:[c:2]:[c:3](-[C:4]-[O:5]):[s:6]>>[n:1]:[c:2]:[c:3](-[C:4]=[O:5]):[s:6]	2	20005,24009
+[C:1]-[C:2](-[C:3])-[O:4]-[C:5](=[O:6])-[C:7]>>[C:1]-[C:2](-[C:3])-[C:5](=[O:6])-[C:7].[O:4]-[O:10]-[C:9](=[O:8])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15](-[Cl:16]):[c:17]:1	2	20142,36699
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[S:11](=[O:9])-[C:10]	2	20209,23532
+[c:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[n:9]:[c:10]:1:2>>[c:1]-[N:2]-[c:10]:1:[c:5](-[N:4]):[c:6]:[n:7]:[c:8]:[n:9]:1.[C:3](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19]	2	20255,31065
+[C:1]-[N:2]-[C:3](=[N:4])-[N:5]-[C:6]=[O:7]>>[C:1]-[N:2].[C:3](=[N:4])(-[N:5]-[C:6]=[O:7])-[S:9]-[C:8]	2	20444,44104
+[c:1]:1:[c:2]:2-[C:3](=[O:4])-[N:5](-[C:6]-[C:7])-[c:8](:[c:9](:[c:10])-[c:12]:2:[n:13]:[n:14]:1):[c:11]>>[C:6](-[C:7])-[Br:15].[c:1]:1:[c:2]:2:[c:3](-[O:4]):[n:5]:[c:8](:[c:9](:[c:10]):[c:12]:2:[n:13]:[n:14]:1):[c:11]	2	20469,20472
+[n:1]:[c:2]:[c:3](-[C:4](-[N:5])=[O:10]):[s:6]>>[n:1]:[c:2]:[c:3](-[C:4](-[O:9]-[C:8]-[C:7])=[O:10]):[s:6].[N:5]	2	20618,40899
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10]=[C:11]-[Cl:12])-[c:13]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:13].[C:9](-[C:10]=[C:11]-[Cl:12])-[Cl:14]	2	20648,20818
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1-[C:9]-[C:10](=[O:11])-[O:12]):[c:7]>>[N:3]-[c:4](:[c:5](:[c:6])-[N:8]-[C:9]-[C:10](=[O:11])-[O:12]):[c:7].[C:1]-[C:2]=[O:13]	2	20732,21720
+[n:1]:[c:2]:[c:3](-[C:4](-[C:5])=[O:6]):[c:7]:[n:8]>>[n:1]:[c:2]:[c:3](-[C:4](-[C:5])-[O:6]):[c:7]:[n:8]	2	20744,38408
+[n:1]:[c:2](-[N:3](-[C:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]):[c:12]>>[n:1]:[c:2](-[N:3]-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]):[c:12].[C:4]-[I:13]	2	20815,25116
+[n:1]:[c:2]:[c:3](-[C:4](-[C:5])-[O:6]):[c:7]:[n:8]>>[n:1]:[c:2]:[c:3](-[C:4]=[O:6]):[c:7]:[n:8].[C:5]-[Mg:10]-[Br:9]	2	20824,38619
+[C:1]-[N:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14]>>[N:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14].[C:1]-[I:15]	2	20836,24032
+[N:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8]>>[N:1]-[C:2](=[O:3])-[O:33]-[C:32]-[C:31]-1-[c:22]:2:[c:21]:[c:20]:[c:19]:[c:24]:[c:23]:2-[c:25]:3:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]-1:3.[O:4](-[C:5](-[C:6])(-[C:7])-[C:8])-[C:17](-[O:16]-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15])=[O:18]	2	20907,21132
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[C:1]-[N:2]-[S:21](-[c:20]:1:[c:15](-[N+:13](=[O:12])-[O-:14]):[c:16]:[c:17]:[c:18]:[c:19]:1)(=[O:22])=[O:23].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:11]-[C:29](=[O:10])-[O:28]-[C:25](-[C:24])(-[C:26])-[C:27]	2	20918,20920
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:9](=[O:10])-[O:22]-[C:20](-[O:19]-[C:16](-[C:15])(-[C:17])-[C:18])=[O:21].[C:6](=[O:7])(-[N:8])-[C:12](-[F:11])(-[F:13])-[F:14]	2	20971,20973
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[n:8]:1:[c:9]:[c:10]:[c:11](:[n:12]):[c:14]:1:[c:13]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:22]-[C:20](-[O:19]-[C:16](-[C:15])(-[C:17])-[C:18])=[O:21].[n:8]:1:[c:9]:[c:10]:[c:11](:[n:12]):[c:14]:1:[c:13]	2	20988,21107
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]):[n:11]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:19]-[C:17](-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15])=[O:18].[n:1]:[c:2](-[N:3]):[n:11]	2	21030,21356
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[O:9]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:17]-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[N:8]-[O:9]	2	21040,21326
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:8]-[c:9]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:17]-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[O:8]-[c:9]	2	21045,21049
+[C:1]#[C:2]-[C:3]-[O:4]>>[C:1]#[C:2]-[C:3]-[O:4]-[Si:8](-[C:5])(-[C:6])-[C:7]	2	21364,34168
+[C:1]#[C:2]-[C:3]-[O:4]-[C:5]>>[C:5]-[I:6].[C:1]#[C:2]-[C:3]-[O:4]	2	21365,31360
+[n:1]:[c:9]:[c:3](:[n:2])-[S:4](=[O:5])(=[O:6])-[N:7]-[C:8]>>[N:7]-[C:8].[n:1]:[c:9]:[c:3](:[n:2])-[S:4](=[O:5])(=[O:6])-[Cl:10]	2	21405,46235
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[n:7]:[n:6]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[n:7]:[n:6])-[I:8]	2	21415,55645
+[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1>>[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	2	21445,24351
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[o:7]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[o:7]:1)-[Cl:8].[c:1]-[N:2]	2	21460,45701
+[c:1](-[N:2]-[C:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1):[c:9]:[n:10]>>[C:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)=[O:11].[c:1](-[N:2]):[c:9]:[n:10]	2	21478,27737
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[o:6]>>[c:1]-[O:2].[C:3](-[c:4](:[n:5]):[o:6])-[Cl:7]	2	21482,34448
+[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:6]):[n:7]:[c:8](-[c:9]):[n:10]:1>>[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:6])=[N:7]-[O:12])=[O:11].[C:8](-[c:9])-[N:10]	2	21492,38102
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[n:6](:[n:7]):[c:9](:[c:8]):[n:10]:[c:11]:1>>[c:3](:[c:4])(:[c:5])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:1]:1:[c:2](:[n:6](:[n:7]):[c:9](:[c:8]):[n:10]:[c:11]:1)-[Cl:21]	2	21543,24249
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:8]-[S:5](-[C:4])(=[O:6])=[O:7].[N-:3]=[N+:10]=[N-:9]	2	21584,48049
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[C:1]-[C:2](-[O:7]-[N:6]=[C:4](-[N:3])-[C:5])=[O:8]	2	21619,23568
+[c:1]:[c:2]:[n:3]:[c:4](-[N:5]=[C:6]):[c:7]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[Cl:8].[N:5]=[C:6]	2	21673,22329
+[C:1]-[C:2]-[C:3]-[S:4]-[C:6](-[C:5])=[O:7]>>[C:1]-[C:2]=[C:3].[S:4]=[C:6](-[C:5])-[O:7]	2	21766,46820
+[O:1]-[N:2]=[C:3](-[c:4])-[c:5](:[c:6]):[n:7]>>[O:1]-[N:2].[C:3](-[c:4])(-[c:5](:[c:6]):[n:7])=[O:8]	2	21831,47079
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1>>[c:1]:1:[c:2]:[n:3](:[c:4]:[c:5]:1)-[S:7](=[O:6])(=[O:8])-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2	2	21835,53038
+[C:1]-[N:2](-[C:3])-[c:4](:[n:5]:[c:6]):[s:7]>>[C:1]-[N:2]-[C:3].[c:4](:[n:5]:[c:6])(:[s:7])-[Cl:8]	2	21918,43857
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[n:7]:[c:8]:[c:9]:2>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1-[N+:7](=[O:13])-[O-:14])-[C:9]=[C:8]-[N:11](-[C:10])-[C:12]	2	21932,56864
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:9](:[n:10]:[c:11]:[c:12]):[c:13]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8].[c:9](:[n:10]:[c:11]:[c:12])(:[c:13])-[Cl:14]	2	21941,21946
+[c:1]:[c:2](-[N:3]-[C:12](=[O:5])-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10]):[c:4]>>[N:3]-[C:12](=[O:5])-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10].[c:1]:[c:2](:[c:4])-[Br:6]	2	21944,21947
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[C:7]>>[C:1]-[C:2](-[N:6]-[C:7])=[O:12].[N:3](=[N+:4]=[N-:5])-[Si:9](-[C:8])(-[C:10])-[C:11]	2	21962,34144
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[c:6]):[n:7]:1>>[C:1]-[C:2](-[N:3]-[C:4]-[C:5](-[c:6])=[O:9])=[O:8].[N:7]	2	22091,40955
+[C:1]=[C:2](-[C:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Br:7].[C:1]=[C:2](-[C:3])-[B:9](-[O:8])-[O:10]	2	22204,46358
+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[c:9]:1:[n:8]>>[n:1]:1:[c:2]:[c:3](:[c:7]:[c:9]:1:[n:8])-[I:19].[c:4](:[c:5])(:[c:6])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	2	22217,28399
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1-[C:11]>>[N:3]-[c:4]:1:[c:5]:[n:6]:[c:7]:[n:8]:[c:9]:1-[N:10]-[C:11].[c:1]-[C:2]=[O:12]	2	22261,42456
+[n:1]:[c:2](-[N:3]-[c:4](:[c:5]):[c:6]):[n:7]>>[n:1]:[c:2](-[N:3]):[n:7].[c:4](:[c:5])(:[c:6])-[I:8]	2	22263,22980
+[c:1]:[n:2]:[c:3](-[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1):[n:10]:[c:11]>>[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1.[c:1]:[n:2]:[c:3](:[n:10]:[c:11])-[Cl:12]	2	22286,29335
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]-[C:7](=[O:8])-[O:9]>>[C:1]-[N:2]-[C:6]-[C:7](=[O:8])-[O:9].[C:3](=[O:4])(-[c:5])-[Cl:10]	2	22321,34595
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[c:6](:[c:7]):[c:8]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[Cl:9].[c:6](:[c:7])(:[c:8])-[B:11](-[O:10])-[O:12]	2	22354,38072
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[s:7]:1):[c:8]>>[c:3]:1(:[n:4]:[n:5]:[c:6]:[s:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	2	22411,28682
+[C:1]-[C:2]-[C:3](-[c:4](:[n:5]):[n:6])-[C:7]>>[C:1]-[C:2]=[C:3](-[c:4](:[n:5]):[n:6])-[C:7]	2	22418,53258
+[n:1]:[c:2](-[C:3]=1-[N:4]-[N:5]-[C:6](=[O:7])-[N:8]=1):[c:9]>>[n:1]:[c:2](-[C:3](=[N:4]-[N:5])-[N:8]):[c:9].[C:6](=[O:7])(-[n:12]:1:[c:11]:[c:10]:[n:19]:[c:18]:1)-[n:13]:2:[c:14]:[c:15]:[n:16]:[c:17]:2	2	22448,22764
+[c:1](:[n:2]:[c:3](-[N:4]-[c:5](:[n:6]):[s:7]):[c:8]):[c:9]>>[c:1](:[n:2]:[c:3](:[c:8])-[Cl:10]):[c:9].[N:4]-[c:5](:[n:6]):[s:7]	2	22480,25290
+[C:1]#[C:2]-[C:3]-[O:4]-[Si:5](-[C:6])(-[C:7])-[C:8]>>[C:1]#[C:2]-[C:3]-[O:4].[Si:5](-[C:6])(-[C:7])(-[C:8])-[Cl:9]	2	22483,27514
+[C:1]-[C:2](-[C:3]#[N:4])(-[c:5](:[n:6]:[c:7]:[c:8]):[c:9])-[C:10]>>[C:1]-[C:2](-[C:3]#[N:4])-[C:10].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[F:11]	2	22536,26365
+[c:1]:[c:2]:1:[n:3]:[n:4]:2-[C:5](-[C:6])=[C:7]-[C:8](=[O:9])-[N:10]-[c:11]:2:[c:12]:1>>[C:5](-[C:6])(-[C:7]-1-[C:8](=[O:9])-[O:20]-[C:14](-[C:13])(-[C:15])-[O:16]-[C:17]-1=[O:18])=[O:19].[c:1]:[c:2]:1:[n:3]:[n:4]:[c:11](-[N:10]):[c:12]:1	2	22539,22540
+[c:1]:1:[n:2]:[c:3]:2:[c:4](:[n:5]:[n:6]:[n:7]:2-[C:8]):[c:9]:[n:10]:1>>[c:1]:1:[n:2]:[c:3](:[c:4](-[N:5]):[c:9]:[n:10]:1)-[N:7]-[C:8].[N:6](=[O:11])-[O:12]	2	22688,22707
+[O:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6](-[c:7](:[c:8]):[c:9])-[C:10]=[C:11]-1>>[O:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[n:6]:[c:10]:[c:11]:1.[c:7](:[c:8])(:[c:9])-[F:12]	2	22724,46057
+[C:1]#[C:2]-[Si:4](-[C:3])(-[C:5])-[C:6]>>[C:1]#[C:2].[C:3]-[Si:4](-[C:5])(-[C:6])-[Cl:7]	2	22743,34118
+[C:1]-[N:5](-[C:3](-[C:2])=[O:4])-[C:6]-[c:7]>>[C:1]-[N:5]-[C:3](-[C:2])=[O:4].[C:6](-[c:7])-[Cl:8]	2	22789,23488
+[N:1]-[c:2](:[n:3]):[n:4]>>[N:1](-[c:2](:[n:3]):[n:4])-[C:5]-[c:15]:1:[c:6](-[O:7]-[C:8]):[c:9]:[c:12](-[O:11]-[C:10]):[c:13]:[c:14]:1	2	22830,46084
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:10].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:9]	2	22847,51244
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[C:6]):[n:7]:1>>[C:1]-[C:2](-[C:3]-[N:7]-[C:5](-[C:6])=[O:9])=[O:8].[N:4]	2	22848,24037
+[C:1](=[O:2])-[C:3]=[C:4]-[c:5]:[c:7]:[n:6]>>[C:1](=[O:2])-[C:3].[C:4](-[c:5]:[c:7]:[n:6])=[O:8]	2	22915,44688
+[C:1]-[c:2](:[c:3]:[n:4]):[c:5]>>[c:2](:[c:3]:[n:4])(:[c:5])-[Br:6].[C:1]-[B:8](-[O:7])-[O:9]	2	22939,24842
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:2:[c:6]:[n:7]:[n:8]:[c:9]:1:2>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:9]:1-[N:8]-[N:7].[C:6](-[O:12]-[C:11]-[C:10])(-[O:13]-[C:14]-[C:15])-[O:16]-[C:17]-[C:18]	2	22947,31051
+[n:1]:1:[n:2]:[c:3](:[c:4]:[c:6]:1:[n:5])-[I:7]>>[n:1]:1:[n:2]:[c:3]:[c:4]:[c:6]:1:[n:5].[I:7]-[I:8]	2	22952,31136
+[C:1]-[C:2](=[O:3])-[N:4]-[N:5]-[C:6](=[O:7])-[c:8](:[c:9]):[n:10]>>[C:6](=[O:7])(-[c:8](:[c:9]):[n:10])-[O:11].[C:1]-[C:2](=[O:3])-[N:4]-[N:5]	2	22968,42337
+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]):[c:7]:1:[c:6]>>[C:1]-[c:7](:[c:4](-[N+:3](=[O:15])-[O-:16]):[c:5]):[c:6].[C:2](-[O:9]-[C:8])(-[O:10]-[C:11])-[N:12](-[C:13])-[C:14]	2	22989,34290
+[n:1]:1:[c:2](-[c:3]):[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[N:1]-[c:6](:[c:5](-[N:4]-[C:2](-[c:3])=[O:9]):[c:8]):[c:7]	2	22990,53622
+[c:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[c:1]-[C:2]-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	2	22994,50204
+[n:1]:[c:2](-[C:3]-[C:4]-[c:5]):[c:6]>>[n:1]:[c:2](-[C:3]=[C:4]-[c:5]):[c:6]	2	23001,36381
+[c:1]:[n:5]:[c:4]:[n:3]:[c:2]>>[c:1]:[n:5]:[c:4](:[n:3]:[c:2])-[Cl:6]	2	23016,38577
+[c:1]:1:[c:2](:[c:3]):[n:4](-[C:5]):[c:6]:[c:7]:1>>[C:5]-[O:12]-[C:11]-[C:10]-[O:9]-[C:8].[c:1]:1:[c:2](:[c:3]):[n:4]:[c:6]:[c:7]:1	2	23059,23133
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5]#[N:6]):[c:7]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](:[c:7]:1)-[I:8].[C:5]#[N:6]	2	23110,39470
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[C:7]>>[C:1]-[C:2](-[N:6]-[C:7])=[O:12].[N:3](=[N+:5]=[N-:4])-[Si:9](-[C:8])(-[C:10])-[C:11]	2	23196,34160
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]):[n:10]>>[c:1]:[c:2](-[C:3](=[O:11])-[O:12]):[n:10].[N:4]-[c:5](:[c:6](:[c:7])-[N:9]):[c:8]	2	23480,29437
+[C:1]-[C:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-[N:7]-1>>[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:[n:7]:1	2	23495,24001
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[n:6]:[c:7]:1>>[c:2]:1(:[n:3]:[c:4]:[c:5]:[n:6]:[c:7]:1)-[Br:8].[C:1]-[B:10](-[O:9])-[O:11]	2	23530,29585
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[c:1]-[C:2](=[N:3]-[O:4]-[C:5](-[C:6])=[O:8])-[N:7]	2	23569,54827
+[C:1]-[N:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2]-[C:9].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[I:10]	2	23627,23688
+[C:1]-[N:2](-[c:3](:[c:4](:[n:5]):[c:6]):[c:7])-[C:8]>>[C:1]-[N:2]-[C:8].[c:3](:[c:4](:[n:5]):[c:6])(:[c:7])-[Br:9]	2	23806,23808
+[c:1]:1:[n:2]:[c:3](-[N:4](-[C:5])-[S:6]):[c:7]:[c:9](:[n:8]):[c:10]:1>>[N:4](-[C:5])-[S:6].[c:1]:1:[n:2]:[c:3](:[c:7]:[c:9](:[n:8]):[c:10]:1)-[Br:11]	2	23977,46282
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[N:9](-[C:10](=[O:11])-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])-[c:17](:[c:18]):[n:21]:[c:20](:[c:19]):[c:22]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[N:9]-[C:10](=[O:11])-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16].[c:17](:[c:18])(:[n:21]:[c:20](:[c:19]):[c:22])-[Cl:23]	2	24019,24020
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[N:6]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[N:6]-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	2	24060,38481
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6]:[o:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[I:9].[c:3]:1(:[c:4]:[c:5]:[c:6]:[o:7]:1)-[B:11](-[O:10])-[O:12]	2	24069,27691
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1)-[C:7](=[O:8])-[O:9]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:[c:6]:1.[C:7](=[O:8])=[O:9]	2	24095,24197
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[c:6])-[C:7]):[n:8]:[c:9]:1>>[N:5](-[c:6])-[C:7].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:8]:[c:9]:1)-[Cl:10]	2	24190,26141
+[N:1]-[C:2]-[c:3](:[n:4]):[c:6]:[n:5]>>[N:1]#[C:2]-[c:3](:[n:4]):[c:6]:[n:5]	2	24202,34232
+[c:1]:1:[c:2]:[s:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:1>>[c:1]:1:[c:2]:[s:3]:[c:4](:[n:8]:1)-[Br:9].[c:5](:[c:6])(:[c:7])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	2	24232,28952
+[c:1]-[O:2]-[C:3](-[C:4])-[c:5]>>[c:1]-[O:2].[C:3](-[C:4])(-[c:5])-[O:6]	2	24243,48859
+[c:1]:1:[c:2]:[c:3]:[c:4](-[F:5]):[s:6]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[s:6]:1.[F:5]-[N:16](-[S:8](=[O:7])(=[O:9])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[S:17](=[O:18])(=[O:19])-[c:20]:2:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:2	2	24265,24266
+[C:1]=[C:2]-[C:3]-[O:4]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:7]-[C:6]-[C:5]	2	24332,30619
+[O:1]=[C:2](-[O:3])-[C:4]=[C:5]-[c:6]:[c:7]:[n:8]>>[C:5](-[c:6]:[c:7]:[n:8])=[O:9].[O:1]=[C:2](-[O:3])-[C:4]=[P:14](-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:28]:[c:27]:1)(-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2)-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:3	2	24352,53114
+[C:1]-[S:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:3](-[c:4]:[c:5]:[n:6])-[Br:7].[C:1]-[S:2]	2	24357,47461
+[c:1](:[n:2]):[c:4](:[c:3])-[O:5]-[C:7](-[C:6])=[O:8]>>[O:5](-[C:7](-[C:6])(-[C:9])-[C:10])-[N:11]=[O:8].[c:1](:[n:2]):[c:4](:[c:3])-[N:12]	2	24398,24399
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[C:1]-[C:2](=[O:3])-[N:4]-[O:5]-[C:7](-[C:6])(-[C:8])-[C:9]	2	24401,24402
+[N:1](=[C:2](-[c:3])-[c:4])-[S:5]>>[N:1]-[S:5].[C:2](-[c:3])(-[c:4])=[O:6]	2	24418,24419
+[c:1]:[c:3](:[c:2])-[C:4](-[C:5])-[N:6]-[S:7]>>[C:4](-[C:5])=[N:6]-[S:7].[c:1]:[c:3](:[c:2])-[I:8]	2	24434,24435
+[N:1]-[C:8](-[C:5](=[C:3](-[C:2])-[O:4])-[C:6]#[N:7])=[O:9]>>[N:1]-[C:8](-[C:5]-[C:6]#[N:7])=[O:9].[C:2]-[C:3](=[O:4])-[O:12]-[C:11]-[C:10]	2	24455,25625
+[C:1]-[C:2](-[O:3])-[c:4](:[n:5]):[c:6]>>[C:2](=[O:3])-[c:4](:[n:5]):[c:6].[C:1]-[Mg:8]-[Br:7]	2	24473,27427
+[O:1]-[C:2](=[O:3])-[C:4]-[O:5]-[Si:6](-[C:7])(-[C:8])-[C:9]>>[Si:6](-[C:7])(-[C:8])(-[C:9])-[Cl:10].[O:1]-[C:2](=[O:3])-[C:4]-[O:5]	2	24509,24592
+[C:1]-[C:2](-[N:3]-1-[N:4]=[C:5](-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2)-[C:11]=[C:12]-[C:13]-1=[O:14])-[C:15]>>[C:1]-[C:2](-[C:15])-[I:16].[n:3]:1:[n:4]:[c:5](-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2):[c:11]:[c:12]:[c:13]:1-[O:14]	2	24741,26938
+[C:1]-[n:2]:1:[c:3](:[c:4]):[c:6](:[c:5]):[c:7]:[c:8]:1-[C:9]>>[C:1]-[N:2]-[c:3](:[c:4]):[c:6](:[c:5])-[C:7]#[C:8]-[C:9]	2	24750,56144
+[C:1]-[C:2]-[N:3]-[c:4]>>[C:1]-[C:2](=[O:5])-[O:6].[N:3]-[c:4]	2	24758,39451
+[C:1]-1=[C:2]-[N:3]-[C:4](=[O:5])-[N:6](-[C:7](=[O:8])-[c:9])-[C:10]-1=[O:11]>>[C:1]-1=[C:2]-[N:3]-[C:4](=[O:5])-[N:6]-[C:10]-1=[O:11].[C:7](=[O:8])(-[c:9])-[Cl:12]	2	24762,56042
+[O:1]=[C:2](-[C:3]-[O:4])-[N:5]>>[O:1]=[C:2](-[C:3]-[O:4]-[Si:10](-[C:7](-[C:6])(-[C:8])-[C:9])(-[C:11])-[C:12])-[N:5]	2	24770,24840
+[O:1]=[C:2]-[C:3](-[O:4]-[C:5](=[O:6])-[C:7])-[c:8]>>[O:4]-[C:5](=[O:6])-[C:7].[O:1]=[C:2]-[C:3](-[c:8])-[O:9]	2	24780,51975
+[O:1]=[C:2](-[C:3]-[S:4]-[c:5])-[N:6]>>[O:1]=[C:2](-[C:3]-[Cl:7])-[N:6].[S:4]-[c:5]	2	24787,36800
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[c:6]):[c:7](:[c:8]:1:[n:9]):[c:11]:[n:10]>>[n:1]:1:[c:2]:[c:3](:[c:7](:[c:8]:1:[n:9]):[c:11]:[n:10])-[I:16].[C:4](=[O:5])(-[c:6])-[N:14](-[O:13]-[C:12])-[C:15]	2	24804,27873
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:7]:1-[C:8]>>[C:1]-[C:2](=[N:7]-[C:8])-[S:10]-[C:9].[N:3]-[N:4]-[C:5](-[C:6])=[O:11]	2	24860,24861
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[o:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3]:1:[n:4]:[c:5]:[c:6]:[o:7]:1	2	24866,53070
+[O:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-2-[C:6]-[C:7]-1-[C:8]=[C:9]-[C:10]-2>>[O:1]-[N:2]-[C:7]-1-[C:6]-[N:5]-[C:10]-[C:9]=[C:8]-1.[C:3](=[O:4])(-[O:15]-[C:12](-[Cl:11])(-[Cl:13])-[Cl:14])-[O:16]-[C:17](-[Cl:18])(-[Cl:19])-[Cl:20]	2	24871,31886
+[C:1]=[C:2]-[C:3]-[O:4]-[C:5]>>[C:1]=[C:2]-[C:3]-[O:4].[C:5]-[I:6]	2	24890,31744
+[c:1]:[c:2]:1:[n:3]:[c:4](-[Si:5](-[C:6])(-[C:7])-[C:8]):[c:9](-[C:10]):[c:11]:1:[c:12]>>[C:4](-[Si:5](-[C:6])(-[C:7])-[C:8])#[C:9]-[C:10].[c:1]:[c:2](-[N:3]):[c:11](:[c:12])-[I:13]	2	24953,33734
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]>>[N:2](-[C:3])-[C:4](=[O:5])-[O:6].[C:1]-[I:7]	2	24981,31769
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6](-[c:7])-[C:8]):[c:9]:[n:10]>>[N:6](-[c:7])-[C:8].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[Cl:11]):[c:9]:[n:10]	2	25018,25034
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6]-[N:7])-[C:8]>>[c:1]-[N:2].[C:3](=[O:4])(-[C:5](=[C:6]-[N:7])-[C:8])-[Cl:9]	2	25085,25088
+[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[C:7](-[C:6])-[O:8]>>[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[C:7](-[C:6])=[O:8]	2	25090,51285
+[C:1](=[O:2])(-[C:3])-[N:5](-[O:4])-[C:6]>>[C:1](=[O:2])(-[C:3])-[O:8]-[C:7].[O:4]-[N:5]-[C:6]	2	25119,41532
+[c:1]-[C:2]-[C:3]>>[c:1]-[C:2](-[C:3])-[Cl:4]	2	25144,26112
+[c:1]-[C:2](=[O:3])-[C:4]-[C:5]#[N:6]>>[c:1]-[C:2](=[O:3])-[Cl:7].[C:4]-[C:5]#[N:6]	2	25147,41226
+[c:1]-[N:2]=[C:3]=[N:4]-[c:5]>>[c:1]-[N:2]-[C:3](-[N:4]-[c:5])=[S:6]	2	25188,25189
+[c:1]-[C:2](-[C:3])-[O:4]>>[c:1]-[C:2]=[O:4].[C:3]-[Li:5]	2	25227,45697
+[c:1]:1:[c:2]:[c:3]:[c:4](-[S:5]-[c:6]:2:[n:7]:[c:8](:[c:9](:[c:10]):[n:12]:2):[c:11]):[o:13]:1>>[S:5]=[C:6]-1-[N:7]-[c:8](:[c:9](:[c:10])-[N:12]-1):[c:11].[c:1]:1:[c:2]:[c:3]:[c:4](:[o:13]:1)-[N+:15](=[O:14])-[O-:16]	2	25229,44776
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[c:6]):[n:7]:[c:8]:1:[c:9]>>[c:1]:[c:2](-[N:3]):[c:8](-[N:7]):[c:9].[C:4](-[C:5](-[c:6])=[O:10])-[Br:11]	2	25251,50815
+[C:1]-[C:3](-[c:2])-[c:4]>>[C:1]-[C:3](-[c:2])(-[c:4])-[O:5]	2	25261,54007
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1>>[c:1]:[c:2]:1:[n:3](:[c:4]:[c:5]:[c:6]:1)-[Si:7](-[C:8])(-[C:9])-[C:10](-[C:11])(-[C:12])-[C:13]	2	25299,25300
+[c:1]:[c:2](-[C:3](-[N:4])=[O:5]):[n:6]>>[N:4](-[C:7])(-[C:8])-[C:9]=[O:10].[c:1]:[c:2](-[C:3](=[O:5])-[O:11]):[n:6]	2	25306,29940
+[c:1]-[C:2](-[c:3])-[c:4]>>[c:1]-[C:2](-[c:3])(-[c:4])-[O:5]	2	25338,54532
+[c:1]:[c:2](-[Cl:3]):[c:4]:[n:5]>>[c:1]:[c:2]:[c:4]:[n:5].[Cl:3]-[N:10]-1-[C:8](-[N:6](-[Cl:7])-[C:14](-[C:12]-1(-[C:11])-[C:13])=[O:15])=[O:9]	2	25348,27971
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:5](-[O:4]-[C:3])=[O:6]	2	25359,25433
+[c:1]-[C:2]>>[c:1]-[C:2]-[S:4]-[C:3]	2	25392,50853
+[c:1]-[C:2](-[O:3])-[C:4](-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])-[Mg:8]-[Br:7].[c:1]-[C:2]=[O:3]	2	25411,27491
+[C:1]-[C:2](-[C:3])-[O:5]-[c:4]>>[C:1]=[C:2]-[C:3].[c:4]-[O:5]	2	25413,37780
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[N:6]>>[c:1]-[O:2].[S:3](=[O:4])(=[O:5])(-[N:6])-[Cl:7]	2	25427,45446
+[C:1]-[N:2](-[c:3])-[c:4]>>[N:2](-[c:3])-[c:4].[C:1]-[I:5]	2	25457,31363
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:3]=[C:4](-[c:5])-[N:6]-[O:7].[C:1]-[C:2](=[O:8])-[Cl:9]	2	25471,44016
+[C:1]-[C:2](=[C:3]-[c:4])-[C:5]>>[C:1]-[C:2](-[C:3](-[c:4])=[O:6])-[C:5]	2	25495,51693
+[C:1](-[C:2](=[O:3])-[O:4])-[c:5]:1:[c:6](:[n:7]:2:[n:8]:[c:9]:[c:10]:[c:11]:2:[n:12]:[c:13]:1-[C:14])-[Cl:15]>>[C:1](-[C:2](=[O:3])-[O:4])-[C:5]-1-[C:6](-[n:7]:2:[n:8]:[c:9]:[c:10]:[c:11]:2-[N:12]=[C:13]-1-[C:14])=[O:20].[Cl:15]-[P:17](=[O:16])(-[Cl:18])-[Cl:19]	2	25521,35368
+[C:1](=[O:2])(-[C:3]-1-[C:4]-[C:5]-1-[c:6](:[c:7]):[s:8])-[O:9]>>[C:4]=[C:5]-[c:6](:[c:7]):[s:8].[C:1](=[O:2])(-[C:3]=[N+:11]=[N-:10])-[O:9]	2	25530,30954
+[C:1](-[C:2])(=[O:3])-[Cl:4]>>[C:1](-[C:2])(=[O:3])-[O:7].[Cl:4]-[C:6]-[Cl:5]	2	25532,35101
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[N:6]-[C:7](=[O:8])-[c:9](:[c:10]:[s:11]):[n:12]>>[C:7](=[O:8])(-[c:9](:[c:10]:[s:11]):[n:12])-[O:13].[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[N:6]	2	25541,25542
+[s:1]:[c:2]:[c:3]-[C:4]-[O:5]>>[s:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:7]-[C:6]	2	25549,49748
+[C:1]-[C:2](-[c:3]:1:[n:4]:[n:5](-[C:6]):[c:7](-[c:8]):[c:9]:1-[O:10])=[O:11]>>[C:7](-[c:8])(-[C:9]=[O:10])=[O:12].[C:1]-[C:2](-[C:3]=[N:4]-[N:5]-[C:6])=[O:11]	2	25568,39394
+[c:1]-[C:2](=[N:3]-[c:4])-[O:7]-[C:5]=[O:6]>>[c:1]-[C:2](-[N:3]-[c:4])=[O:8].[C:5](=[O:6])-[O:7]	2	25575,49599
+[c:1]-[C:2]-1=[C:3]-[n:4](:[n:5]):[c:7](:[c:6])-[C:8](=[O:9])-[N:10]-1>>[c:1]-[C:2](-[C:3]-[n:4](:[n:5]):[c:7](:[c:6])-[C:8](=[O:9])-[O:13]-[C:12]-[C:11])=[O:14].[N:10]	2	25580,40986
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:8].[O:3]=[C:6](-[N:5])-[N:7]	2	25656,42034
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:[c:6]:1>>[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[Cl:7]	2	25668,49735
+[c:1]-[C:2](-[C:3])-[c:4]>>[c:1]-[C:2](=[C:3])-[c:4]	2	25673,52647
+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1:[n:6]>>[c:1]:1:[c:2]:[n:3]:[n:4](:[c:5]:1:[n:6])-[C:14]-[c:13]:2:[c:12]:[c:11]:[c:10](:[c:7]:[c:15]:2)-[O:9]-[C:8]	2	25721,55190
+[n:1]:[c:2](-[C:3]-[C:4]#[N:5]):[c:6]:[o:7]>>[n:1]:[c:2](-[C:3]-[Cl:8]):[c:6]:[o:7].[C:4]#[N:5]	2	25732,39327
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:2:[c:6]:1:[n:7]:[c:8](-[c:9](:[c:10]):[n:11]):[n:12]:2>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1-[N+:12](=[O:14])-[O-:15])-[N:7]-[C:8](-[c:9](:[c:10]):[n:11])=[O:13]	2	25756,38368
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[N:6])=[S:7]):[c:8]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[N:6])=[O:30]):[c:8]:1.[S:7]=[P:18]-1(-[S:17]-[P:15](-[c:14]:2:[c:13]:[c:12]:[c:11](-[O:10]-[C:9]):[c:29]:[c:28]:2)(=[S:16])-[S:27]-1)-[c:19]:3:[c:20]:[c:21]:[c:22](-[O:23]-[C:24]):[c:25]:[c:26]:3	2	25812,54642
+[C:1]=[C:2]-[C:3]>>[C:2](-[C:3])=[O:19].[C:1]-[P+:4](-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:23]:3:[c:17]:[c:18]:[c:20]:[c:21]:[c:22]:3	2	25826,53465
+[C:1]-[C:2](-[O:3])(-[C:4](=[O:5])-[O:10])-[C:6](-[F:7])(-[F:8])-[F:9]>>[C:1]-[C:2](=[O:3])-[C:4](=[O:5])-[O:10].[C:6](-[F:7])(-[F:8])(-[F:9])-[Si:12](-[C:11])(-[C:13])-[C:14]	2	25833,25835
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5](=[O:6])-[C:7]>>[C:3](=[O:4])(-[C:5](=[O:6])-[C:7])-[O:8].[C:1]-[O:2]	2	25834,25954
+[C:1]-[n:2]:1:[n:3]:[c:4](-[C:5](=[O:6])-[O:10]):[c:7]:[c:8]:1-[C:9]>>[C:7]-[C:8](-[C:9])=[O:14].[C:4](-[C:5](=[O:6])-[O:10])(-[O:12]-[C:11]-[C:15])=[O:13].[C:1]-[N:2]-[N:3]	2	25836,29905
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[C:1]-[C:2]=[O:3].[O:4]-[C:5]	2	25866,30488
+[C:1]-[C:2](-[C:3])=[C:4]-[C:5]-[O:6]>>[C:1]-[C:2](-[C:3])=[C:4]-[C:5](=[O:6])-[O:9]-[C:8]-[C:7]	2	25873,54219
+[C:1]-[C:2]-[N:3]-1-[N:4]=[C:5]-[N:6]-[C:7]-1=[O:8]>>[C:1]-[C:2]-[Cl:9].[N:3]-1-[N:4]=[C:5]-[N:6]-[C:7]-1=[O:8]	2	25893,29991
+[C:1]-1-[C:2]-[O:3]-[C:4](-[C:5])(-[c:6])-[O:7]-[C:8]-1>>[C:1](-[C:2]-[O:3])-[C:8]-[O:9].[C:4](-[C:5])(-[c:6])=[O:7]	2	25929,25930
+[C:1]-[C:2](-[C:3])(-[C:4])-[N:5]-[C:7](=[O:6])-[C:8]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:12].[N:5]#[C:7]-[C:8].[O:6]=[C:10](-[C:9])-[O:11]	2	25956,41305
+[n:1]:[c:2]:[c:8]:[n+:7](:[c:4](:[c:3]:[n:6]):[c:5])-[O-:9]>>[n:1]:[c:2]:[c:8]:[n:7]:[c:4](:[c:3]:[n:6]):[c:5].[O:9]-[O:11]-[C:10](-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16](-[Cl:17]):[c:18]:1)=[O:19]	2	25980,36660
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+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[s:7]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[s:7]:1)-[Br:8]	2	25999,42126
+[c:1](:[c:2]):[n:9]:[c:4](:[c:3])-[N:5]-[c:6](:[c:7]):[s:8]>>[c:1](:[c:2]):[n:9]:[c:4](:[c:3])-[Cl:10].[N:5]-[c:6](:[c:7]):[s:8]	2	26077,26081
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[c:7]):[c:8]>>[C:3](=[O:4])(-[c:6](:[c:7]):[c:8])-[O:9].[c:1]-[N:2].[N:5](=[N+:11]=[N-:10])-[P:12](=[O:13])(-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1)-[c:20]:2:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:2	2	26137,44309
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]#[N:7].[O:3]=[C:5](-[C:6])-[O:10]-[C:9]-[C:8].[O:4]	2	26159,30525
+[c:1]:1-[O:2]-[C:3](-[C:4])(-[C:5])-[C:6]-[C:7](-[c:8]:1:[c:9])=[O:10]>>[C:3](-[C:4])(-[C:5])=[C:6]-[C:7](=[O:10])-[O:11].[c:1](-[O:2]):[c:8]:[c:9]	2	26250,26252
+[c:1]:[c:2](-[C:3](-[C:4])(-[C:5])-[C:6]-[C:7](=[O:8])-[O:9]):[c:10]>>[C:3](-[C:4])(-[C:5])=[C:6]-[C:7](=[O:8])-[O:9].[c:1]:[c:2]:[c:10]	2	26251,26253
+[C:1]-[C:2]-1-[O:3]-[C:4]-1(-[C:5])-[C:6]>>[C:1]-[C:2]=[C:4](-[C:5])-[C:6].[O:3]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1	2	26269,26275
+[C:1]-[C:2](-[C:3])(-[C:4](-[C:5])=[N:6]-[O:7])-[Cl:8]>>[C:1]-[C:2](-[C:3])=[C:4]-[C:5].[N:6](=[O:7])-[O:14]-[C:13]-[C:12]-[C:10](-[C:9])-[C:11].[Cl:8]	2	26282,26287
+[c:1]:[n:5](:[c:3](:[c:2]):[c:4])-[N:6]-[C:7](-[C:8])-[C:9]>>[c:1]:[n:5](:[c:3](:[c:2]):[c:4])-[N:6]=[C:7](-[C:8])-[C:9]	2	26291,26292
+[O:1]=[C:2](-[c:3]:[c:4]:[n:5])-[O:6]>>[O:6]=[C:8](-[C:7])-[C:9].[O:1]=[C:2]-[c:3]:[c:4]:[n:5]	2	26305,26314
+[O:1]=[C:2](-[C:3])-[O:4]>>[O:4]=[C:6](-[C:5])-[C:7].[O:1]=[C:2]-[C:3]	2	26333,26344
+[C:1]-[C:2](-[C:3])(-[O:4])-[C:5](-[c:6])-[S:7]>>[C:1]-[C:2](-[C:3])=[O:4].[C:5](-[c:6])-[S:7]	2	26334,26349
+[C:1]-[N:2]-1-[c:3]:[c:4](:[s:5])-[C:6](=[O:7])-[N:8]-[C:9]-1(-[C:10])-[C:11]>>[C:9](-[C:10])(-[C:11])=[O:12].[C:1]-[N:2]-[c:3]:[c:4](:[s:5])-[C:6](=[O:7])-[N:8]	2	26342,29639
+[n:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7](-[C:8])-[C:9]>>[C:7](-[C:8])(-[C:9])-[Br:10].[n:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1	2	26352,26356
+[C:1]-[C:2](-[N:3]-[c:4])=[N:5]>>[C:1]-[C:2]#[N:5].[N:3]-[c:4]	2	26367,54844
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6](-[c:7]):[n:8]:1)-[C:9]#[N:10])-[O:11]>>[C:1]-[C:2](=[N:3])-[N:8].[C:4](-[C:5]-[C:9]#[N:10])(=[O:11])-[O:14]-[C:13]-[C:12].[C:6](-[c:7])=[O:15]	2	26369,30740
+[C:1]-[c:2]:1:[c:3](-[C:4](-[O:5])=[O:10]):[c:6](-[C:7]):[n:8]:[o:9]:1>>[C:1]-[C:2](-[C:3]-[C:4](-[O:5])=[O:10])=[O:12].[C:6](-[C:7])(=[N:8]-[O:9])-[Cl:11]	2	26376,26377
+[C:1]-[c:2]:1:[c:3]:[c:4](:[n:5]:[c:6](-[c:7]):[n:8]:1)-[O:9]>>[C:1]-[C:2](-[C:3]-[C:4](=[O:9])-[O:12]-[C:11]-[C:10])=[O:13].[N:5]-[C:6](-[c:7])=[N:8]	2	26379,29651
+[c:1]-[n:2]:1:[n:3]:[n:4]:[n:5]:[c:6]:1-[C:7]>>[c:1]-[N:2]-[C:6](-[C:7])=[O:8].[N+:3](=[N-:4])=[N-:5]	2	26387,47925
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2](=[O:3])-[N:7].[O:4]-[C:6]-[C:5]	2	26507,30334
+[c:1]-[C:2](-[C:3])-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1>>[c:1]-[C:2](-[C:3])-[O:16].[n:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:1)-[C:10](=[O:9])-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	2	26510,54933
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[c:7]:1:[c:8]>>[c:1]:[c:2](-[N:3]):[c:7](-[C:5](-[C:6])=[O:9]):[c:8].[N:4](=[O:10])-[O:11]	2	26512,26659
+[C:1]-[S:2]-[c:3]:1:[n:4]:[c:5](-[C:6]):[c:7](-[C:8]):[c:9](:[n:10]:1)-[O:11]>>[C:1]-[I:12].[S:2]=[C:3]-1-[N:4]-[C:5](-[C:6])=[C:7](-[C:8])-[C:9](-[N:10]-1)=[O:11]	2	26516,31478
+[C:1](-[C:2](-[F:3])=[C:4]-[C:5])=[O:6]>>[C:1](-[C:2](-[F:3])=[C:4]-[C:5])-[O:6]	2	26519,53716
+[C:1](-[C:2](-[F:3])=[C:4]-[C:5])-[O:6]>>[C:1](-[C:2](-[F:3])=[C:4]-[C:5])(=[O:6])-[O:9]-[C:8]-[C:7]	2	26520,54517
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[Cl:10]	2	26527,53366
+[c:1]:1(:[c:2]:[c:3](:[n:4]:[c:5](-[C:6]):[c:7]:1)-[O:8])-[O:9]>>[C:1]-1(=[C:2]-[C:3](=[O:8])-[O:10]-[C:5](-[C:6])=[C:7]-1)-[O:9].[N:4]	2	26542,40722
+[c:1]-[N:2]>>[c:1]-[N:2]-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4](-[O:3]-[C:11]):[c:10]:[c:9]:1	2	26545,55158
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5](=[O:6])-[O:9]):[c:7]:[s:8]:1>>[C:1]-[C:2](-[N:3])=[S:8].[C:4](-[C:5](=[O:6])-[O:9])(-[C:7]-[Br:11])=[O:10]	2	26588,44250
+[C:1]-[C:2]=[C:3]>>[C:1]-[C:2]=[O:13].[C:3]-[P+:18](-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)(-[c:17]:2:[c:11]:[c:12]:[c:14]:[c:15]:[c:16]:2)-[c:19]:3:[c:4]:[c:23]:[c:22]:[c:21]:[c:20]:3	2	26619,56119
+[C:1](=[O:2])-[N:3]-[C:4]>>[C:1](=[O:2])-[N:3](-[C:4])-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7](-[O:6]-[C:5]):[c:15]:[c:12]:1-[O:13]-[C:14]	2	26649,50740
+[C:1]-[C:2]-1(-[C:3])-[C:5](-[C:4])-[C:6]-1>>[C:1]-[C:2](-[C:3])=[C:5]-[C:4].[C:6](-[I:7])-[I:8]	2	26665,40487
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5](-[N:6]-[S:7])=[N:9]-[c:8])=[C:10]-[O:11]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5](-[O:14]-[C:13]-[C:12])=[O:15])=[C:10]-[O:11].[N:6]-[S:7].[c:8]-[N:9]	2	26693,26695
+[c:1]:[c:2]:1:[n:3](:[n:4]:[c:5]:[c:6]:1:[c:7])-[C:9](-[C:8])=[O:10]>>[N:4](-[O:16]-[C:15]-[C:14]-[C:12](-[C:11])-[C:13])=[O:17].[c:1]:[c:2](-[N:3]-[C:9](-[C:8])=[O:10]):[c:6](-[C:5]):[c:7]	2	26709,26710
+[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[c:7]:1:[c:6]>>[N:2](-[O:13]-[C:12]-[C:11]-[C:9](-[C:8])-[C:10])=[O:14].[N:1]-[c:7](:[c:4](-[C:3]):[c:5]):[c:6]	2	26711,26712
+[C:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[C:2]-[Zn+:7].[c:3](:[c:4])(:[c:5])-[Br:6]	2	26718,30986
+[c:1]-[N:2](-[C:3]-[C:4])-[C:5](=[O:6])-[O:7]>>[C:3](-[C:4])-[I:8].[c:1]-[N:2]-[C:5](=[O:6])-[O:7]	2	26729,29958
+[C:1]-[C:2]-[C:3](-[C:4](=[O:5])-[N:6])-[c:7]>>[C:1]-[C:2]-[I:8].[C:3](-[C:4](=[O:5])-[N:6])-[c:7]	2	26730,26731
+[C:1]-[N:2]-1-[C:3](-[N:4]-[C:5]=[C:6]-1-[C:7])=[S:8]>>[C:1]-[N:2].[C:5]-1-[C:6](-[C:7])(-[O:14]-[C:13]-[C:11](-[C:10]-[O:9])(-[O:12])-[O:16]-1)-[O:15].[C:3](#[N:4])-[S:8]	2	26739,29973
+[c:1](:[c:2](-[C:3](-[N:4])=[O:5]):[s:6]):[n:7]>>[c:1](:[c:2](-[C:3](=[O:5])-[O:30]):[s:6]):[n:7].[N:4]-1=[C:13]-[N:12](-[c:11]:2:[n:10]:[c:9](-[C:8]):[c:26](:[s:25]:2)-[C:27](=[O:28])-[O:29])-[C:23](-[N:14]-1-[C:15]-[c:16]:3:[c:17]:[c:18]:[c:19](-[F:20]):[c:21]:[c:22]:3)=[O:24]	2	26766,54354
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[C:7]>>[C:1]-[N:2]-1-[C:3](-[N:4]-[C:5]=[C:6]-1-[C:7])=[S:8]	2	26768,30002
+[n:1]:[c:2](-[c:3]:1:[c:4]:2-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[N:10]-[c:11]:2:[n:12]:[n:13]:1-[C:14]-[c:15]):[c:16]>>[C:4]=1-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[N:10]-[C:11]=1-[N:12]-[N:13].[n:1]:[c:2](-[C:3]=[O:17]):[c:16].[C:14](-[c:15])=[O:18]	2	26776,26778
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[n:7]>>[O:1]-[C:2](=[O:3])-[Cl:8].[N:4]-[c:5](:[n:6]):[n:7]	2	26821,38328
+[O:1]-[P:2](-[C:3])(=[O:4])-[C:5]-[C:6]-[C:7]#[N:8]>>[O:1]-[P:2](-[C:3])-[O:4].[C:5]=[C:6]-[C:7]#[N:8]	2	26834,41247
+[c:1]:[c:2](-[C:3]-[O:4]):[o:5]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:7]-[C:6]):[o:5]	2	26840,49478
+[c:1]-[C:2](-[N:3])-[c:4]>>[c:1]-[C:2](=[N:3]-[O:5])-[c:4]	2	26846,49578
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[n:6]:[n:7]:[n:8]:1):[c:9]:[n:10]>>[n:1]:[c:2]:[c:3](-[C:4]#[N:5]):[c:9]:[n:10].[N-:6]=[N+:7]=[N-:8]	2	26856,42382
+[c:1]:1:[c:2]:[c:3](-[C:4]-[C:5]):[n:6]:[c:7]:[n:8]:1>>[C:4](-[C:5])-[Mg:10]-[Br:9].[c:1]:1:[c:2]:[c:3](:[n:6]:[c:7]:[n:8]:1)-[Cl:11]	2	26867,31291
+[O:1]-[P:2](=[O:3])(-[O:4])-[O:5]-[C:6]>>[O:1]-[P:2](=[O:3])(-[O:4])-[Cl:7].[O:5]-[C:6]	2	26889,31230
+[c:1]:1:[c:2]:[c:3]:[n:4](-[C:5](-[C:6])-[C:7]):[c:8]:1:[c:9]>>[C:5](-[C:6])(-[C:7])-[I:10].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:8]:1:[c:9]	2	26911,26912
+[c:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[c:1]-[C:2]-[O:5]	2	26948,41919
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[O:12]-[C:11]-[C:10]	2	26964,39975
+[C:1]-[N:2]-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	2	26970,51531
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5](-[C:6](=[O:7])-[C:8])-[c:9]>>[N:1]-[C:2](=[O:3])-[C:4]-[Br:10].[N:5](-[C:6](=[O:7])-[C:8])-[c:9]	2	26997,51831
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[n:6]:1>>[c:1]:1(:[c:2]:[n:3]:[c:4]:[c:5]:[n:6]:1)-[C:8](=[O:7])-[O:9]	2	27003,53282
+[c:1](:[c:2]:[n:3])(:[n:4])-[C:6](=[O:5])-[O:7]>>[c:1](:[c:2]:[n:3])(:[n:4])-[C:6](=[O:5])-[N:8].[O:7]	2	27004,42975
+[C:1](#[C:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1)-[Si:10](-[C:9])(-[C:11])-[C:12]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1)-[Br:13].[C:1](#[C:2])-[Si:10](-[C:9])(-[C:11])-[C:12]	2	27020,27477
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:6]:1)-[Cl:7]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:6]:1)-[O:8].[Cl:7]	2	27077,34804
+[c:1]:1:[c:2](-[O:3]):[c:4]:[c:5]:[n:6]:[c:7]:1>>[c:1]:1:[c:2](:[c:4]:[c:5]:[n:6]:[c:7]:1)-[Cl:8].[O:3]	2	27131,43002
+[c:1]:[c:10](:[n:9]:[c:3](:[c:2])-[n:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:1):[c:11]>>[n:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:1.[c:1]:[c:10](:[n:9]:[c:3](:[c:2])-[Cl:12]):[c:11]	2	27132,38357
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]=[C:7]-[C:8](=[O:9])-[O:10]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[I:11].[C:6]=[C:7]-[C:8](=[O:9])-[O:10]	2	27140,30612
+[C:1]-[N:2]>>[C:1]-[N:2]-[C:7](-[O:6]-[C:4](-[C:3])-[C:5])=[O:8]	2	27235,27261
+[c:1]:1:[c:2](-[C:3](=[O:4])-[c:5]):[n:6](:[c:7]:[c:8]):[c:10](:[c:9]):[c:11]:1>>[c:1]:1:[c:2]:[n:6](:[c:7]:[c:8]):[c:10](:[c:9]):[c:11]:1.[C:3](=[O:4])(-[c:5])-[Cl:12]	2	27238,49217
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5](-[F:6])(-[F:7])-[F:8]>>[C:1]-[O:2].[C:3](=[O:4])(-[C:5](-[F:6])(-[F:7])-[F:8])-[O:11]-[C:10](=[O:9])-[C:12](-[F:13])(-[F:14])-[F:15]	2	27274,37307
+[C:1]-[N:2]-[C:3]-[C:4]-[S:5]>>[C:1]-[N:2].[C:3]=[C:4]-[S:5]	2	27295,41791
+[c:1](-[C:2]-[N:3](-[C:4])-[C:5]=[O:6]):[c:7]:[n:8]>>[N:3](-[C:4])-[C:5]=[O:6].[c:1](-[C:2]-[Cl:9]):[c:7]:[n:8]	2	27314,49945
+[c:1]-[C:2](-[C:3])-[O:4]>>[c:1]-[C:2]=[O:4].[C:3]-[I:5]	2	27323,27345
+[c:1]:1:[c:2]:[c:3](-[F:4]):[c:5]:[c:6]:[n:7]:1>>[c:1]:1:[c:2]:[c:3](:[c:5]:[c:6]:[n:7]:1)-[Cl:8].[F:4]	2	27400,37104
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[c:7]:1>>[C:5](-[C:6])(-[O:9]-[C:8])=[O:10].[N:1]#[C:2]-[C:7].[N:3]-[N:4]	2	27422,33417
+[C:1](=[O:2])-[N:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1](=[O:2])-[N:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:8]	2	27441,44987
+[s:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[c:6]:[c:8]:[n:7]):[n:9]:[c:10]:[n:11]:1>>[N:5]-[c:6]:[c:8]:[n:7].[s:1]:[c:2]:1:[c:3]:[c:4](:[n:9]:[c:10]:[n:11]:1)-[Cl:12]	2	27445,42743
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1>>[c:1]:1:[c:2](:[c:3]:[n:4]:[n:5]:1)-[C:7](=[O:6])-[O:8]	2	27466,36901
+[C:1](=[O:2])=[N:3]-[S:4]>>[C:1](=[O:2])(-[N:3]-[S:4])-[N:9]-[C:8]-[C:7]-[C:6]-[C:5]	2	27481,45957
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+[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5]:[c:6]:[n:7]:1>>[c:1]:[c:8](:[n:4]:[c:3]:[c:2])-[N:7].[C:5](-[C:6]-[Cl:10])=[O:9]	2	27532,44583
+[C:1]-[C:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:1]-[C:2]=[C:3]-[c:4]:[c:5]:[n:6]	2	27574,40398
+[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[Cl:7]):[c:6]>>[c:1]:[c:2](:[c:6])-[N:8].[Cl:7]-[Cu:9].[S:3](=[O:4])=[O:5]	2	27587,46310
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[C:5](=[O:4])-[O:6]	2	27593,48700
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[I+:6]-[c:17]:1:[c:7]:[c:8](-[C:9](-[C:10])-[C:11]):[c:14](-[O:13]-[C:12]):[c:15]:[c:16]:1.[c:1]-[O:2]	2	27631,27632
+[N:1]-[C:2]-1(-[c:3])-[C:4]-[C:5]-1>>[N:1]#[C:2]-[c:3].[C:4]-[C:5]-[Mg+:6]	2	27666,31263
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1]:[c:2](:[c:3])-[I:9].[O:4]-[B:5](-[O:6])-[O:8]-[C:7]	2	27670,43099
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]:[c:9]:[n:10]>>[C:6](=[O:7])(-[c:8]:[c:9]:[n:10])-[O:11].[O:1]-[C:2](=[O:3])-[C:4]-[N:5]	2	27713,29908
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[c:7]:[c:9]:[n:8]):[c:10]:[n:11]:1>>[N:6]-[c:7]:[c:9]:[n:8].[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:12]):[c:10]:[n:11]:1	2	27736,42540
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]:[n:8]):[c:9]):[c:10]:1>>[c:6](:[c:7]:[n:8])(:[c:9])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:10]:1)-[Br:11]	2	27754,29215
+[C:1]-1-[C:2](=[O:3])-[N:4](-[C:5]-[C:6](=[O:7])-[N:8])-[C:9](=[O:10])-[N:11]-1>>[C:5](-[C:6](=[O:7])-[N:8])-[Cl:12].[C:1]-1-[C:2](=[O:3])-[N:4]-[C:9](=[O:10])-[N:11]-1	2	27763,27764
+[c:1](-[C:2]):[c:3]:[n:4]>>[c:1](-[C:2]=[O:5]):[c:3]:[n:4]	2	27859,51810
+[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[N:7]-[c:8].[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:9]	2	27874,43259
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[n:7]:[c:8]:[c:9]>>[c:1]:[c:2](:[n:7]:[c:8]:[c:9])-[Br:18].[C:3](=[C:4]-[C:5])(-[C:6])-[B:13]-1-[O:12]-[C:10](-[C:11])(-[C:15](-[O:14]-1)(-[C:16])-[C:17])-[C:19]	2	27897,28291
+[C:1]-[C:2](-[c:3]:[c:5]:[n:4])-[N:6](-[C:7]=[O:8])-[C:9]=[O:10]>>[C:1]-[C:2](-[c:3]:[c:5]:[n:4])-[O:11].[N:6](-[C:7]=[O:8])-[C:9]=[O:10]	2	27933,55826
+[C:1](-[C:2](=[O:3])-[O:4])-[C:5]-[c:6]>>[C:1](-[C:2](=[O:3])-[O:4])-[C:5](-[c:6])=[O:7]	2	27965,50217
+[C:1](=[C:2]-[N:3])(-[c:4])-[B:6](-[O:5])-[O:7]>>[O:5]-[B:6](-[O:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[C:1](=[C:2]-[N:3])(-[c:4])-[Br:8]	2	28004,28254
+[B:1](-[O:2])(-[O:3])-[c:7]:1:[c:6]:[c:5]:[c:9](:[c:4]):[n:8]:1>>[B:1](-[O:2])(-[O:3])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:4]:[c:9]:1:[c:5]:[c:6]:[c:7]:[n:8]:1	2	28017,28113
+[C:1](=[C:2]-[C:3])(-[C:4])-[B:8](-[O:7])-[O:9]>>[O:7]-[B:8](-[O:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[C:1](=[C:2]-[C:3])(-[C:4])-[O:22]-[S:20](=[O:19])(=[O:21])-[C:23](-[F:5])(-[F:6])-[F:24]	2	28025,28026
+[c:1](:[c:2]:[c:3]:[n:4])(:[c:5])-[B:7](-[O:6])-[O:8]>>[O:6]-[B:7](-[O:8])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[c:1](:[c:2]:[c:3]:[n:4])(:[c:5])-[O:21]-[S:19](=[O:18])(=[O:20])-[C:22](-[F:23])(-[F:24])-[F:25]	2	28036,28040
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-[B:5](-[O:6])-[B:11]-1-[O:10]-[C:8](-[C:7])(-[C:9])-[C:13](-[O:12]-1)(-[C:14])-[C:15].[c:1]:[c:2]:[c:3]	2	28094,28106
+[O:1]-[B:2](-[O:3])-[c:4]:1:[c:5]:2:[c:6]:[n:7]:[n:8]:[c:9]:2:[n:10]:[c:11]:[c:12]:1>>[O:1]-1-[B:2](-[O:3]-[C:21](-[C:18]-1(-[C:19])-[C:20])(-[C:22])-[C:23])-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:25](-[O:24]-2)(-[C:26])-[C:27].[c:4]:1(:[c:5]:2:[c:6]:[n:7]:[n:8]:[c:9]:2:[n:10]:[c:11]:[c:12]:1)-[I:28]	2	28214,28265
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[C:3](=[C:4]-[C:5])(-[C:6])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16].[c:1]:[c:2](:[c:7])-[I:17]	2	28294,28926
+[c:1]:1:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]:[n:7]:[n:8]:1>>[c:1]:1:[c:2](:[c:6]:[n:7]:[n:8]:1)-[I:11].[B:3](-[O:4])(-[O:5])-[O:10]-[C:9]	2	28299,28300
+[c:1]:1:[c:2](:[n:3]:[n:4]:[c:5]:1)-[B:7](-[O:6])-[O:8]>>[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1.[O:6]-[B:7](-[O:8])-[O:12]-[C:10](-[C:9])-[C:11]	2	28306,28311
+[N+:1]-[C:2]-[C:3]-1-[O:4]-[B:5](-[O:6])-[c:7]:[c:8]-1>>[C:3](=[O:4])-[c:8]:[c:7]-[B:5]-1-[O:6]-[C:13](-[C:10](-[C:9])(-[C:11])-[O:12]-1)(-[C:14])-[C:15].[N+:1]-[C:2]	2	28329,28970
+[c:1]:[c:2](:[c:3])-[c:5](:[c:4]):[c:6]>>[c:4]:[c:5](:[c:6])-[B:16]-1-[O:7]-[C:8](-[C:9])(-[C:10])-[C:13](-[C:12])(-[C:14])-[O:15]-1.[c:1]:[c:2](:[c:3])-[Cl:11]	2	28343,28991
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1):[c:10]>>[c:1]:[c:2](:[c:10])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1)-[Cl:20]	2	28348,29082
+[c:1]:[c:2](-[C:3]-[C:4](=[N:5])-[C:6]=[O:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[C:3](-[C:4](=[N:5])-[C:6]=[O:7])-[Cl:18]	2	28349,28350
+[c:1]:[c:2](-[c:3]:1:[c:4]:[s:5]:[c:6]:[c:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:12].[c:3]:1(:[c:4]:[s:5]:[c:6]:[c:7]:1)-[B:17]-2-[O:16]-[C:14](-[C:9](-[C:10])(-[C:11])-[O:18]-2)(-[C:13])-[C:15]	2	28359,28360
+[n:1]:[c:2]:[c:3](-[O:4]):[c:5]>>[n:1]:[c:2]:[c:3](:[c:5])-[B:10]-1-[O:9]-[C:7](-[C:6])(-[C:8])-[C:12](-[O:11]-1)(-[C:13])-[C:14].[O:4]-[O:15]	2	28375,28508
+[c:1]:[c:3](:[c:2])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[B:14]-1-[O:13]-[C:11](-[C:7](-[C:8])(-[C:9])-[O:15]-1)(-[C:10])-[C:12].[c:1]:[c:3]:[c:2]	2	28388,29213
+[n:1]:[c:2]:[c:11]:[c:4](:[c:3])-[c:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:[n:10]:1>>[n:1]:[c:2]:[c:11]:[c:4](:[c:3])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:5]:1(:[n:6]:[c:7]:[c:8]:[c:9]:[n:10]:1)-[Cl:21]	2	28408,28477
+[c:1]:[c:2](-[C:3](=[C:4]-[N:5])-[c:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[C:3](=[C:4]-[N:5])(-[c:6])-[Br:8]	2	28421,29008
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[n:7]>>[c:3](:[c:4])(:[c:5])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16].[c:1]:[c:2](:[c:6]:[n:7])-[Cl:17]	2	28443,29098
+[c:1]:[c:4](:[c:3]:[c:2]:[o:9])-[c:5](:[c:6]:[n:7]):[c:8]>>[c:1]:[c:4](:[c:3]:[c:2]:[o:9])-[Br:10].[c:5](:[c:6]:[n:7])(:[c:8])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	2	28451,28452
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[o:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[o:8]:1)-[B:14]-2-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-2)(-[C:17])-[C:18].[c:5](:[c:6])(:[c:7])-[Br:9]	2	28456,28457
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[c:5]:[c:7](:[n:6]):[n:8]:[c:9]:[c:10]:2):[c:11]:[n:12]:1>>[n:1]:1:[c:2]:[c:3](:[c:11]:[n:12]:1)-[B:18]-2-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-2)(-[C:21])-[C:22].[c:4]:1(:[c:5]:[c:7](:[n:6]):[n:8]:[c:9]:[c:10]:1)-[Br:13]	2	28494,28495
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:7]:[n:6]):[c:8]:[c:9](:[n:10]):[c:11]:1>>[c:4](:[c:5])(:[c:7]:[n:6])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:1]:1:[n:2]:[c:3](:[c:8]:[c:9](:[n:10]):[c:11]:1)-[Cl:21]	2	28496,29280
+[c:1]:1:[c:2](-[c:3]:2:[c:4]:[c:5]:[n:6]:[n:7]:2):[c:8]:[c:9]:[o:10]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[n:7]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20].[c:1]:1:[c:2](:[c:8]:[c:9]:[o:10]:1)-[Br:11]	2	28537,28538
+[c:1](:[n:2]):[c:4](:[n:3])-[C:5]-[Br:6]>>[Br:6]-[N:16]-1-[C:8](-[C:7])(-[C:9])-[C:10](=[O:11])-[N:12](-[Br:13])-[C:14]-1=[O:15].[c:1](:[n:2]):[c:4](:[n:3])-[C:5]	2	28552,28558
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]:[n:6]):[n:7]>>[C:1]-[C:2](-[O:3])-[c:4](:[c:5]:[n:6]):[n:7]	2	28604,49808
+[C:1]-[C:4]-1=[C:3](-[C:2])-[N:8](-[N:7]-[C:5]-1=[O:6])-[C:9]-[c:10]>>[C:1]-[C:4]-1=[C:3](-[C:2])-[N:8]-[N:7]-[C:5]-1=[O:6].[C:9](-[c:10])-[Br:11]	2	28607,28608
+[P:1]-[O:2]>>[P:1]-[O:2]-[C:7]-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:9]:[c:8]:1	2	28757,52645
+[C:1]-[C:5](-[C:4]=[C:3](-[C:2])-[N:7]-[c:8])=[O:6]>>[C:1]-[C:5](-[C:4]-[C:3](-[C:2])=[O:9])=[O:6].[N:7]-[c:8]	2	28758,44454
+[c:1]:[c:2](-[F:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[Br:5].[F:3]-[N:15](-[S:7](=[O:6])(=[O:8])-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[S:16](=[O:17])(=[O:18])-[c:19]:2:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:2	2	28781,46172
+[C:1](-[C:2]-[N:3](-[C:4]-[C:5](=[O:6])-[N:7])-[C:8])-[N:9]-[S:10]>>[N:3](-[C:4]-[C:5](=[O:6])-[N:7])-[C:8].[C:1]-1-[C:2]-[N:9]-1-[S:10]	2	28782,28886
+[C:1]-[N:3](-[C:2])-[N:4]=[O:5]>>[C:1]-[N:3]-[C:2].[N:4](=[O:5])-[O:6]	2	28786,29600
+[C:1](-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7])-[O:9]>>[C:1]-1-[C:2]-[O:9]-1.[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	2	28804,43636
+[c:1]:1:[c:2]:[n:3](-[c:4](:[c:5]):[c:6]):[c:7]:[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:7]:[c:8]:1.[c:4](:[c:5])(:[c:6])-[B:10](-[O:9])-[O:11]	2	28822,39114
+[c:1]:1:[c:2]:[n:3](-[c:4](:[c:5]):[c:6]):[c:7]:[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:7]:[c:8]:1.[c:4](:[c:5])(:[c:6])-[F:9]	2	28825,28826
+[c:1](:[o:2]):[c:3]-[C:4]-[O:5]>>[c:1](:[o:2]):[c:3]-[C:4](=[O:5])-[O:7]-[C:6]	2	28851,57354
+[c:1]:[c:2](-[N+:3](=[O:5])-[O-:6]):[c:4]>>[c:1]:[c:2]:[c:4].[N+:3](=[O:5])(-[O:6])-[O-:7]	2	28898,47708
+[c:1](:[c:2](-[C:3](=[C:4])-[C:5]):[c:6]):[n:7]>>[C:3](=[C:4])(-[C:5])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[c:1](:[c:2](:[c:6])-[Br:8]):[n:7]	2	28904,28907
+[N:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[c:7]>>[N:1]-[C:2]=[C:3](-[c:7])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[C:8])(-[C:9])-[O:16]-1.[c:4](:[c:5])(:[c:6])-[Br:10]	2	28911,28935
+[N:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[c:7]:[c:8]:[n:9]>>[N:1]-[C:2]=[C:3](-[c:7]:[c:8]:[n:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:4](:[c:5])(:[c:6])-[Br:19]	2	28912,28913
+[C:1]-[C:2]=[C:3](-[c:4](:[n:5]:[c:6]:[c:7]):[c:8])-[C:9]>>[C:1]-[C:2]=[C:3](-[C:9])-[B:18]-1-[O:17]-[C:15](-[C:10](-[C:11])(-[C:12])-[O:19]-1)(-[C:14])-[C:16].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:13]	2	28927,28928
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[n:11]:2:[c:10]:[c:9]):[c:12]:[n:13]:1>>[n:1]:1:[c:2]:[c:3](:[c:12]:[n:13]:1)-[B:22]-2-[O:21]-[C:19](-[C:14](-[C:15])(-[C:16])-[O:23]-2)(-[C:18])-[C:20].[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:11]:1:[c:10]:[c:9])-[Cl:17]	2	28981,29264
+[c:1]:1:[c:2]:[c:3](-[c:4]:2:[n:5]:[n:6]:[c:7]:[c:8]:2:[c:9]:[n:10]):[c:11]:[s:12]:1>>[c:1]:1:[c:2]:[c:3](:[c:11]:[s:12]:1)-[B:25]-2-[O:24]-[C:22](-[C:21])(-[C:23])-[C:27](-[O:26]-2)(-[C:28])-[C:29].[c:4]:1(:[n:5]:[n:6]:[c:7]:[c:8]:1:[c:9]:[n:10])-[O:16]-[S:14](=[O:13])(=[O:15])-[C:17](-[F:18])(-[F:19])-[F:20]	2	29050,29051
+[n:1]:[c:2](:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]):[c:9]>>[c:4](:[c:5])(:[c:6])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[n:1]:[c:2](:[c:3](:[c:7]:[n:8])-[Br:10]):[c:9]	2	29058,29099
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]):[c:8]):[c:9]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[I:19].[c:6](:[c:7])(:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	2	29088,29090
+[N:1]-1-[C:2]=[C:3](-[F:4])-[C:5](-[c:6](:[c:7]):[c:8])=[C:9]-[C:10]-1=[O:11]>>[c:6](:[c:7])(:[c:8])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[N:1]-1-[C:2]=[C:3](-[F:4])-[C:5](=[C:9]-[C:10]-1=[O:11])-[I:21]	2	29105,29187
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[B:10]-1-[O:9]-[C:17](-[C:12](-[O:11]-1)(-[C:13])-[C:14])(-[C:16])-[C:18].[c:3]:1(:[c:4]:[c:5]:[c:6]:[n:7]:1)-[I:15]	2	29170,29204
+[N:1]-[C:2]-1=[C:3]-[C:4](-[c:5](:[c:6]):[c:7])=[C:8]-[N:9]-[C:10]-1>>[N:1]-[C:2]-1=[C:3]-[C:4](=[C:8]-[N:9]-[C:10]-1)-[Br:11].[c:5](:[c:6])(:[c:7])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	2	29233,29244
+[n:1]:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]:[c:8]:[n:7]):[c:9]):[c:10]>>[c:5](:[c:6]:[c:8]:[n:7])(:[c:9])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[n:1]:[c:2]:[c:3]:[c:4](:[c:10])-[Br:11]	2	29248,29251
+[c:1]:[c:2](:[n:3]:[c:4](-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1):[c:10]):[c:11]>>[c:5]:1(:[c:6]:[n:7]:[n:8]:[c:9]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20].[c:1]:[c:2](:[n:3]:[c:4](:[c:10])-[Cl:21]):[c:11]	2	29257,29296
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[n:7]>>[c:1]:[c:2](:[c:6]:[n:7])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16].[c:3](:[c:4])(:[c:5])-[I:17]	2	29271,29287
+[C:1]-[C:2](-[C:3])(-[O:4]-[C:5](=[S:6])-[N:7])-[c:8]>>[C:1]-[C:2](-[C:3])(-[O:4]-[C:5](-[N:7])=[O:30])-[c:8].[S:6]=[P:18]-1(-[S:17]-[P:15](-[c:14]:2:[c:13]:[c:12]:[c:11](-[O:10]-[C:9]):[c:29]:[c:28]:2)(=[S:16])-[S:27]-1)-[c:19]:3:[c:20]:[c:21]:[c:22](-[O:23]-[C:24]):[c:25]:[c:26]:3	2	29311,29464
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]#[N:5].[O:3].[O:4]-[C:8]-[C:7]-[O:6]	2	29384,42915
+[C:1](-[C:2](-[C:3]-[C:4]=[C:8]-[C:7])-[C:5])=[O:6]>>[C:1](-[C:2]-[C:5])=[O:6].[C:3]=[C:4]-[C:8](-[C:7])-[O:9]	2	29424,36469
+[c:1]:[c:2](-[C:3](-[F:4])(-[F:5])-[C:6](=[O:7])-[O:9]):[c:8]>>[c:1]:[c:2](:[c:8])-[I:11].[C:3](-[F:4])(-[F:5])(-[C:6](=[O:7])-[O:9])-[Br:10]	2	29453,37113
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[c:6]>>[C:1]-[N:2]-[c:6].[c:3](:[c:4])(:[c:5])-[F:7]	2	29523,39236
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[c:6]):[c:7]>>[C:4](=[O:5])(-[c:6])-[O:10]-[C:9]-[C:8].[n:1]:[c:2](-[N:3]):[c:7]	2	29578,48776
+[C:1]-1=[N:2]-[N:3]-[C:4](=[O:5])-[C:6]-1=[N:7]-[N:8]-[c:9]>>[C:1]-1=[N:2]-[N:3]-[C:4](=[O:5])-[C:6]-1.[N:8]-[c:9].[N:7](=[O:10])-[O:11]	2	29610,42458
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:3](:[c:4])(:[c:6]:[n:5])-[B:11](-[C:10]-[C:9])-[C:12]-[C:13].[c:1]:[c:2](:[c:7])-[Br:8]	2	29616,29617
+[c:1]-[C:2](-[C:3])(-[C:4]-[C:5])-[c:6](:[c:7]):[c:8]>>[c:1]-[C:2](-[C:3])=[C:4]-[C:5].[c:6](:[c:7]):[c:8]	2	29633,49845
+[C:1]-[C:2](-[C:3]-[S:4]-[c:5])=[O:6]>>[C:1]-[C:2](-[C:3]-[Br:7])=[O:6].[S:4]-[c:5]	2	29643,29644
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[C:2]#[N:6].[N-:3]=[N+:4]=[N:5]-[Si:8](-[C:7])(-[C:9])-[C:10]	2	29688,34151
+[c:1]:1:[c:2]:[n:3]:2-[C:4]-[C:5]-[N:6]-[C:7]-[c:8]:2:[n:9]:1>>[c:1]:1:[c:2]:[n:3]:2:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:2:[n:9]:1	2	29691,39922
+[C:1]-[n:2]:1:[c:3](-[C:4]):[c:5]:[c:6]:2:[c:7]:1:[n:8]:[c:9]:[n:10]:[c:11]:2>>[C:1]-[N:2]-[c:7]:1:[c:6](-[C:5]#[C:3]-[C:4]):[c:11]:[n:10]:[c:9]:[n:8]:1	2	29732,31011
+[C:1](-[C:2])(-[c:3](:[c:4]):[c:5]-[O:6])=[O:7]>>[C:1](-[C:2])(-[O:6]-[c:5]:[c:3]:[c:4])=[O:7]	2	29771,48364
+[C:1]-[C:2](-[C:3]#[N:4])-[C:5]>>[C:1]-[C:2](-[C:5])-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9].[C:3]#[N:4]	2	29798,41031
+[C:1]-[C:2](-[O:4]-[C:3]-[C:6]=[O:5])=[O:7]>>[C:1]-[C:2](-[O:4])=[O:7].[C:3](-[C:6]=[O:5])-[Cl:8]	2	29833,44138
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[C:1]-[C:2](-[N:3]-[O:4])=[N:7].[C:5](-[c:6])(=[O:8])-[O:9]	2	29872,41729
+[C:1]-[C:2]-[O:3]-[N:4]=[C:5]>>[C:1]-[C:2]-[I:6].[O:3]-[N:4]=[C:5]	2	29883,29947
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22].[c:1]:[c:2](:[c:8])-[Br:9]	2	29917,29928
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[n:8]:[c:9]:[c:10]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Sn:15](-[C:14]-[C:13]-[C:12]-[C:11])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23].[c:1]:[c:2](:[n:8]:[c:9]:[c:10])-[Cl:24]	2	29918,29921
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:8]>>[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[Sn:18](-[C:9]-[C:10]-[C:11]-[C:12])(-[C:17]-[C:16]-[C:15]-[C:14])-[C:19]-[C:20]-[C:21]-[C:22].[c:6](:[c:7])(:[c:8])-[I:13]	2	29925,29926
+[n:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]):[c:10]:1>>[n:1]:1:[c:2]:[n:3]:[c:4](:[c:10]:1)-[Sn:18](-[C:17]-[C:16]-[C:15]-[C:14])(-[C:19]-[C:20]-[C:21]-[C:22])-[C:23]-[C:24]-[C:11]-[C:12].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Cl:13]	2	29933,41375
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1>>[C:1]-[C:2]-[I:8].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1	2	29950,46857
+[c:1]:[c:2](-[C:3]-[C:4]):[c:5]>>[C:3](-[C:4])-[I:6].[c:1]:[c:2]:[c:5]	2	29952,30043
+[n:1]:[c:2](-[C:3]-[N:4]=[N+:7]=[N-:6]):[c:5]>>[n:1]:[c:2](-[C:3]-[Cl:8]):[c:5].[N-:4]=[N+:7]=[N-:6]	2	30015,37963
+[c:1]:[c:2](-[S:3]):[n:4]:[c:5]:[c:6]>>[c:1]:[c:2](:[n:4]:[c:5]:[c:6])-[O:28].[S:3]=[P:16]-1(-[S:15]-[P:13](-[c:12]:2:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:27]:[c:26]:2)(=[S:14])-[S:25]-1)-[c:17]:3:[c:18]:[c:19]:[c:20](-[O:21]-[C:22]):[c:23]:[c:24]:3	2	30018,49717
+[C:1]-[C:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[C:2]-[Mg:11]-[Cl:10].[C:3](-[C:4])(=[O:5])-[N:8](-[O:7]-[C:6])-[C:9]	2	30021,52294
+[c:1]:1:[c:2]:[c:4](-[C:3]=[O:8]):[c:5]:[c:6]:[n:7]:1>>[c:1]:1:[c:2]:[c:4]:[c:5]:[c:6]:[n:7]:1.[C:3](=[O:8])-[N:10](-[C:9])-[C:11]	2	30024,32214
+[C:1]-[C:2]-[O:3]-[c:4]:[c:5]-[O:6]-[C:7]-[C:8]>>[C:8]-[N:16](-[C:9]=[O:10])-[C:15].[C:1]-[C:2]-[I:11].[O:3]-[c:4]:[c:5]-[O:6].[C:7](=[O:12])(-[O:13])-[O:14]	2	30034,30035
+[C:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1>>[C:1]-[C:2]-[I:8].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1	2	30103,30104
+[C:1]-[C:2]-[S:3]-[c:4]>>[C:1]-[C:2]-[I:5].[S:3]-[c:4]	2	30113,40368
+[C:1]-[N:2]-[C:3]-[c:4](:[c:5]:[n:6]):[s:7]>>[C:1]-[N:2].[C:3](-[c:4](:[c:5]:[n:6]):[s:7])-[Cl:8]	2	30177,30981
+[C:1]-[N:2]-[C:3](-[C:4]-[C:5]=[C:6])-[C:7]>>[C:1]-[N:2].[C:3](-[C:4]-[C:5]=[C:6])(-[C:7])=[O:8]	2	30186,41836
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])=[C:7]-[c:8](:[n:9]):[c:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[C:5]#[N:6].[C:7](-[c:8](:[n:9]):[c:10])=[O:11]	2	30259,44793
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](-[c:6]):[n:7]:[o:8]:1):[s:9]>>[c:1]:[c:2](-[C:3](=[O:10])-[O:11]):[s:9].[N:4]=[C:5](-[c:6])-[N:7]-[O:8]	2	30261,30262
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6](-[c:7](:[n:8]):[c:9]):[s:10]:1>>[N:1]-[C:2](-[N:3])=[S:10].[C:4](-[c:5])(-[C:6]-[c:7](:[n:8]):[c:9])=[O:11]	2	30287,41989
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Cl:6]>>[c:1]:[c:5]:[n:4]:[c:3]:[c:2].[Cl:6]	2	30295,34610
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[O:2].[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11]	2	30305,32728
+[C:1](=[O:2])(-[c:3]:[c:4]:[n:5])-[O:6]>>[O:6]-[C:12]-[C:11].[C:1](=[O:2])(-[c:3]:[c:4]:[n:5])-[C:8](-[F:7])(-[F:9])-[F:10]	2	30315,30320
+[C:1](=[O:2])(-[C:3]-[C:4]=[O:7])-[O:6]-[C:5]>>[C:5]-[O:6].[C:1]-1(=[O:2])-[C:3](-[C:4]=[O:7])-[C:12](-[O:11]-[C:9](-[C:8])(-[C:10])-[O:14]-1)=[O:13]	2	30389,30390
+[C:1](=[O:2])(-[c:3](:[n:4]):[c:5])-[O:7]-[C:6]>>[C:6]-[O:7].[O:2]=[S:12](-[O:8])(-[O:9])=[O:11].[C:1](-[c:3](:[n:4]):[c:5])#[N:10]	2	30399,30400
+[C:1]-[C:2](=[O:3])-[O:7]-[C:6]>>[C:6]-[O:7].[O:3]=[C:4](-[O:5])-[O:9].[C:1]-[C:2]#[N:8]	2	30406,32897
+[C:1]-[C:2](=[O:3])-[O:4]>>[O:4]-[C:6]-[C:5].[C:1]-[C:2]=[O:3]	2	30427,30470
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[N:6]	2	30505,33163
+[O:1]=[C:2](-[c:3]:1:[n:4]:[c:5](-[c:6]):[n:7]:[s:8]:1)-[O:9]>>[O:1]=[C:2](-[C:3]#[N:4])-[O:9].[C:5]-1(-[c:6])=[N:7]-[S:8]-[C:11](=[O:10])-[O:12]-1	2	30549,30550
+[C:1](=[O:2])(-[C:3](-[C:4])-[c:5])-[O:6]>>[C:1](=[O:2])(-[C:3](-[C:4])(-[c:5])-[C:7](=[O:8])-[O:11]-[C:10]-[C:9])-[O:6]	2	30556,38548
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6](:[c:7]):[c:9]:[n:8]>>[O:1]-[C:2](=[O:3])-[C:4]=[C:5].[c:6](:[c:7])(:[c:9]:[n:8])-[I:10]	2	30602,30611
+[c:1]-[N:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])=[O:7].[c:1]-[N:2]	2	30624,30626
+[c:1]:[c:2](-[C:3](-[O:4])-[C:5](=[O:6])-[O:7]):[c:8]>>[C:3](=[O:4])-[C:5](=[O:6])-[O:7].[c:1]:[c:2]:[c:8]	2	30625,30627
+[O:1]=[C:2](-[O:3])-[C:4]-[n:5]:1:[n:6]:[n:7]:[c:8]:[n:9]:1>>[O:1]=[C:2](-[O:3])-[C:4]-[Br:10].[n:5]:1:[n:6]:[n:7]:[c:8]:[n:9]:1	2	30694,30729
+[O:1]=[C:2]-1-[N:3]-[C:4](=[S:5])-[N:6](-[c:7])-[C:8](=[C:9]-1)-[N:10]>>[O:1]=[C:2](-[C:9]-[C:8]#[N:10])-[O:13]-[C:12]-[C:11].[N:3]-[C:4](=[S:5])-[N:6]-[c:7]	2	30732,30737
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](=[O:6])-[N:7]-1>>[C:5](=[O:6])(-[O:10]-[C:9]-[C:8])-[Cl:11].[c:1]-[C:2](-[N:3]-[O:4])=[N:7]	2	30810,30815
+[c:1]:1:[c:2]:[s:3]:[c:4](-[C:5]#[C:6]):[n:7]:1>>[c:1]:1:[c:2]:[s:3]:[c:4](:[n:7]:1)-[Br:8].[C:5](#[C:6])-[Si:10](-[C:9])(-[C:11])-[C:12]	2	30836,33718
+[c:1](:[c:2]:[n:7])-[N:6]-[c:4](:[c:3]):[c:5]>>[c:1](:[c:2]:[n:7])-[N:6].[c:3]:[c:4](:[c:5])-[F:8]	2	30874,53886
+[n:1]:[c:4]:[c:3](:[n:2])-[C:7](-[N:5]-[c:6])=[O:8]>>[n:1]:[c:4]:[c:3](:[n:2])-[C:7](=[O:8])-[O:11]-[C:10]-[C:9].[N:5]-[c:6]	2	30884,34376
+[C:1](=[O:2])(-[C:3]-1-[C:4]-[C:5]-1-[c:6])-[O:7]>>[C:1](=[O:2])(-[C:3]=[N+:9]=[N-:8])-[O:7].[C:4]=[C:5]-[c:6]	2	30948,30952
+[C:1]-[n:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[N:2].[C:3](-[O:9]-[C:8]-[C:7])(-[O:10]-[C:11]-[C:12])-[O:13]-[C:14]-[C:15].[N-:4]=[N+:5]=[N-:6]	2	30979,31026
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6]:[c:7]:1>>[c:1]:[c:2]:[c:3](:[c:4])-[O:5]-[C:6]-[C:7](-[O:10]-[C:9]-[C:8])-[O:11]-[C:12]-[C:13]	2	31016,54589
+[c:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[c:1]-[N:2]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7].[C:3](-[O:11]-[C:10]-[C:9])(-[O:12]-[C:13]-[C:14])-[O:15]-[C:16]-[C:17]	2	31020,31066
+[c:1]:[c:4]:1:[c:3](:[c:2]):[o:7]:[c:6]:[n:5]:1>>[C:6](-[O:10]-[C:9]-[C:8])(-[O:11]-[C:12]-[C:13])-[O:14]-[C:15]-[C:16].[c:1]:[c:4](:[c:3](:[c:2])-[O:7])-[N:5]	2	31021,31022
+[O:1]-[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6]:2:[c:7]:1:[n:8]:[c:9]:[c:10]:[c:11]:2>>[C:4](-[O:14]-[C:13]-[C:12])(-[O:15]-[C:16]-[C:17])-[O:18]-[C:19]-[C:20].[O:1]=[C:2](-[N:3])-[c:7]:1:[c:6](-[N:5]):[c:11]:[c:10]:[c:9]:[n:8]:1	2	31025,31034
+[n:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:2>>[C:2](-[O:10]-[C:11]-[C:12])(-[O:13]-[C:14]-[C:15])-[O:18]-[C:17]-[C:16].[N:1]-[c:5]:1:[c:4](-[N:3]):[c:9]:[n:8]:[c:7]:[c:6]:1	2	31027,31058
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5]:[n:6]:1>>[C:5](-[O:10]-[C:9]-[C:8])(-[O:11]-[C:12]-[C:13])-[O:14]-[C:15]-[C:7].[c:1]-[C:2](-[N:3]-[O:4])=[N:6]	2	31029,31030
+[O:1]-[C:2]=[C:3](-[C:4](=[O:5])-[C:6])-[C:7]=[O:8]>>[O:1]-[C:2](-[O:11]-[C:10]-[C:9])-[O:12]-[C:13]-[C:14].[C:3](-[C:4](=[O:5])-[C:6])-[C:7]=[O:8]	2	31044,31045
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:1:2>>[C:3](-[O:15]-[C:14]-[C:13])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:11]-[C:12].[C:1]-[N:2]-[c:10]:1:[c:5](-[N:4]):[c:6]:[c:7]:[c:8]:[n:9]:1	2	31063,31064
+[c:1]:[c:2](:[o:3]):[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[n:9]>>[c:1]:[c:2](:[o:3]):[c:4](:[c:8]:[n:9])-[I:10].[c:5](:[c:6])(:[c:7])-[B:12](-[O:11])-[O:13]	2	31083,31084
+[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[Cl:6]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[O:10].[Cl:6]-[S:8](=[O:7])-[Cl:9]	2	31144,35639
+[c:1]:1:[c:2]:[n:3](-[C:4]-[C:5]#[N:6]):[n:7]:[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1.[C:4](-[C:5]#[N:6])-[Br:9]	2	31167,41270
+[c:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1>>[n:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1.[c:1]-[C:2]-[O:8]	2	31175,31176
+[C:1]=[C:2](-[C:3]=[O:7])-[c:4](:[n:5]):[n:6]>>[C:3](=[O:7])-[O:10]-[C:9]-[C:8].[C:1]=[C:2]-[c:4](:[n:5]):[n:6]	2	31184,31194
+[C:1]-[C:2](-[C:3](=[C:4]-[O:7])-[C:5])=[O:6]>>[C:4](=[O:7])-[O:8]-[C:10]-[C:9].[C:1]-[C:2](-[C:3]-[C:5])=[O:6]	2	31188,31189
+[c:1]-[C:2]-[C:3](-[c:4])=[O:5]>>[O:5](-[C:8]-[C:7])-[C:9]-[C:10].[C:3](-[c:4])#[N:11].[c:1]-[C:2]-[Br:6]	2	31201,31202
+[C:1](-[c:2])=[O:3]>>[O:3](-[C:5]-[C:4])-[C:6]-[C:7].[C:1](-[c:2])#[N:8]	2	31204,31205
+[N:1]-[C:2]-1(-[c:3](:[c:4]):[n:5])-[C:6]-[C:7]-1>>[C:6](-[C:7])-[Mg:9]-[Br:8].[N:1]#[C:2]-[c:3](:[c:4]):[n:5]	2	31275,31288
+[C:1]-[O:2]>>[C:1]-[O:2]-[Si:5](-[C:4]-[C:3])(-[C:6]-[C:7])-[C:8]-[C:9]	2	31307,37702
+[c:1]:1:[c:2](-[Cl:3]):[n:4]:[c:5]:[c:6]:[n:7]:1>>[c:1]:1:[c:2](:[n:4]:[c:5]:[c:6]:[n:7]:1)-[O:12].[Cl:3]-[P:9](=[O:8])(-[Cl:10])-[Cl:11]	2	31324,35485
+[o:1]:[c:2](-[N:3]-[S:4](=[O:5])(=[O:6])-[c:7]):[c:8]>>[o:1]:[c:2](-[N:3]):[c:8].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:9]	2	31340,42562
+[c:1]-[N:2](-[C:3])-[C:4]>>[C:4]-[I:9].[C:3]-[N:6](-[C:5])-[C:7]=[O:8].[c:1]-[N:2]	2	31348,31352
+[C:1]-[S:2]-[C:3](=[N:4]-[C:5]-[Si:6](-[C:7])(-[C:8])-[C:9])-[c:10]>>[C:1]-[I:11].[S:2]=[C:3](-[N:4]-[C:5]-[Si:6](-[C:7])(-[C:8])-[C:9])-[c:10]	2	31364,31365
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5]=[C:6](-[c:7])-[c:8](:[c:9]):[c:11]-1:[c:10]>>[C:1]-[I:12].[n:2]:1:[c:3](-[O:4]):[c:5]:[c:6](-[c:7]):[c:8](:[c:9]):[c:11]:1:[c:10]	2	31390,31770
+[C:1]=[C:2]-1-[S:3]-[C:4](=[N:5]-[C:6]-1=[O:7])-[S:9]-[C:8]>>[C:8]-[I:10].[C:1]=[C:2]-1-[S:3]-[C:4](-[N:5]-[C:6]-1=[O:7])=[S:9]	2	31424,31562
+[c:1]-[C:2]-1=[N:3]-[C:4]=[C:5](-[C:6](-[F:7])(-[F:8])-[F:9])-[N:10](-[C:11])-[C:12]-1=[O:13]>>[C:11]-[I:14].[c:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6](-[F:7])(-[F:8])-[F:9]):[n:10]:[c:12]:1-[O:13]	2	31451,31455
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+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[S:6]-[C:7]):[n:8]:1-[C:9]>>[C:7]-[I:10].[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[S:6])-[N:8]-1-[C:9]	2	31497,31719
+[C:1]-[N:2]-[c:3](:[n:4]):[c:5]>>[C:1]-[I:6].[N:2]-[c:3](:[n:4]):[c:5]	2	31522,31679
+[c:1]:[c:2](-[N:3](-[C:4])-[S:5]):[n:6]>>[C:4]-[I:7].[c:1]:[c:2](-[N:3]-[S:5]):[n:6]	2	31524,31528
+[n:1]:1:[c:2]:[c:3]:[c:4]-2:[c:5]:1-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]=[C:11]-2-[Br:12]>>[C:9]-[I:13].[n:1]:1:[c:2]:[c:3]:[c:4]:2:[c:5]:1:[c:6](-[O:7]):[n:8]:[c:10]:[c:11]:2-[Br:12]	2	31552,31856
+[c:1]-[C:2](-[C:3])-[C:4]#[N:5]>>[C:3]-[I:6].[c:1]-[C:2]-[C:4]#[N:5]	2	31657,31767
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1>>[C:1]-[I:7].[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	2	31753,31858
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](:[n:6]:[c:7]:1-[O:8])-[S:10]-[C:9]>>[C:9]-[I:11].[C:1]-[C:2]-1=[C:3]-[N:4]-[C:5](-[N:6]-[C:7]-1=[O:8])=[S:10]	2	31874,31875
+[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[c:7](:[c:8]):[c:9]>>[c:7](:[c:8])(:[c:9])-[I:10].[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	2	31919,48169
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:7]:[n:6]):[n:8]:[c:9]:[c:10]:1>>[c:1]:1:[n:2]:[c:3](:[n:8]:[c:9]:[c:10]:1)-[Cl:11].[c:4](:[c:5])(:[c:7]:[n:6])-[B:13](-[O:12])-[O:14]	2	31920,39931
+[C:1](-[C:2](=[C:3]-[N:5])-[C:4])=[O:6]>>[C:3](-[N:5])(-[N:8](-[C:7])-[C:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14].[C:1](-[C:2]-[C:4])=[O:6]	2	31933,31934
+[c:1]-[c:2]:1:[n:3]:[c:4](-[N:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]-[C:2](-[C:8]=[C:7]-[N:10](-[C:9])-[C:11])=[O:12].[N:3]-[C:4](-[N:5])=[N:6]	2	32003,42024
+[c:1]-[c:2]:1:[n:3]:[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:[c:9]:1>>[c:1]-[C:2](-[C:9]=[C:8]-[N:11](-[C:10])-[C:12])=[O:13].[N:3]-[C:4](=[N:5]-[c:6])-[N:7]	2	32007,32009
+[N:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8])-[C:9]=[O:10]>>[N:1]=[C:2](-[C:3](-[C:4]=[C:5]-[N:12](-[C:11])-[C:13])=[O:14])-[C:9]=[O:10].[N:6]-[N:7]-[c:8]	2	32014,39696
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[c:6]:1:[c:7]>>[c:1]:[c:2](-[C:3]=[C:4]-[N:9](-[C:8])-[C:10]):[c:6](-[N+:5](=[O:11])-[O-:12]):[c:7]	2	32022,38428
+[c:1]:[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6](-[N:7]-[c:8]):[c:9]:1:[c:10]>>[c:1]:[c:2](-[N:3]=[C:4]-[N:12](-[C:11])-[C:13]):[c:9](-[C:6]#[N:5]):[c:10].[N:7]-[c:8]	2	32031,32033
+[C:1](-[c:2]:1:[c:3]:[c:4]:[c:6](:[c:5]):[n:7]:1)=[O:8]>>[c:2]:1:[c:3]:[c:4]:[c:6](:[c:5]):[n:7]:1.[C:1](=[O:8])-[N:11](-[C:9])-[C:10]	2	32078,32145
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[C:6]=[O:7]>>[C:6](=[O:7])-[N:10](-[C:9])-[C:11].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Br:8]	2	32085,32086
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]=[O:7]>>[C:6](=[O:7])-[N:9](-[C:8])-[C:10].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1	2	32097,32194
+[C:1](=[O:2])(-[c:3](:[c:4]):[s:7])-[N:9](-[O:8])-[C:10].[S:5]-[N:6]=[C:11]-[N:12]>>[C:11](-[N:12])=[O:13].[O:8]-[N:9]-[C:10].[C:1](=[O:2])(-[c:3](:[c:4]):[s:7])-[O:14].[S:5]-[N:6]	2	32098,32099
+[c:1]-1:[c:2]-[O:3]-[C:4]-[O:5]-1>>[C:4](-[N:7](-[C:6])-[C:8])=[O:9].[c:1](:[c:2]-[O:3])-[O:5]	2	32104,32105
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1:[c:7]>>[C:4](-[N:9](-[C:8])-[C:10])=[O:11].[c:1]:[c:2](-[N+:3](=[O:12])-[O-:13]):[c:6](-[C:5]):[c:7]	2	32175,32186
+[C:1]-[O:2]-[C:3]=[O:4]>>[C:1]-[N:6](-[C:5])-[C:7]=[O:8].[O:2]-[C:3]=[O:4]	2	32181,32215
+[O:1]=[C:2]-1-[N:3](-[C:4](-[c:5](:[c:6]):[c:7]-1)-[O:9])-[C:8]>>[C:4](=[O:9])-[N:12](-[C:10])-[C:11].[O:1]=[C:2](-[N:3]-[C:8])-[c:7]:[c:5]:[c:6]	2	32223,32225
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5](:[c:6]:[n:7]):[n:8]):[n:9]:[o:10]:1>>[C:1]-[C:2](=[O:11])-[O:12].[N:3]=[C:4](-[c:5](:[c:6]:[n:7]):[n:8])-[N:9]-[O:10]	2	32257,41494
+[c:1](-[C:2]#[N:3]):[c:4]:[n:5]>>[c:1](-[C:2]=[O:6]):[c:4]:[n:5].[N:3]	2	32259,40846
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]-[C:7]>>[C:3](=[O:4])(-[C:5]=[C:6]-[C:7])-[O:8].[c:1]-[N:2]	2	32265,55055
+[c:1]:1:[c:2]:[c:3]:[c:4](-[S:5]-[c:6]):[s:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:7]:1)-[Cl:8].[S:5]-[c:6]	2	32273,36957
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1>>[C:1]-[C:2]-[O:8].[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1	2	32300,40047
+[C:1]-[n:2]:1:[c:3](-[c:4]):[c:5]:[c:6](:[c:7]:1-[C:8])-[C:9]>>[C:1]-[N:2].[C:3](-[c:4])(-[C:5]-[C:6](-[C:7](-[C:8])=[O:11])-[C:9])=[O:10]	2	32333,51928
+[c:1]:1:[c:2]:[n:3]:[c:4]:2:[s:5]:[c:6](-[N:7]):[n:8]:[c:9]:2:[c:10]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:9](-[N:7]):[c:10]:1.[S:5]-[C:6]#[N:8]	2	32407,37288
+[n:1]:[c:2](-[C:3]-[N:4](-[C:7]=[O:6])-[C:8]=[O:9]):[n:5]>>[n:1]:[c:2](-[C:3]-[O:10]):[n:5].[N:4](-[C:7]=[O:6])-[C:8]=[O:9]	2	32413,51962
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:1]-[O:2].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11]	2	32729,34853
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[N:18]-1-[C:7](=[O:6])-[O:8]-[C:9]-[C:10]-1-[C:11]-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2	2	32772,33081
+[O:1]=[C:2](-[C:3]=[O:6])-[O:4]-[C:5]>>[C:5]-[O:7].[O:1]=[C:2](-[C:3]=[O:6])-[O:4]	2	32941,33119
+[C:1](=[O:2])(-[c:3])-[O:4]>>[O:4]-[C:5].[C:1](=[O:2])-[c:3]	2	33022,33032
+[C:1]-[O:2]-[c:3](:[c:4](:[n:5]):[c:6]):[c:7]>>[C:1]-[O:2].[c:3](:[c:4](:[n:5]):[c:6])(:[c:7])-[F:8]	2	33129,33135
+[C:1]-[O:2]-[C:3](=[N:4])-[c:5](:[n:6]):[c:7]>>[C:1]-[O:2].[C:3](#[N:4])-[c:5](:[n:6]):[c:7]	2	33131,33181
+[C:1]-[O:2]-[C:3](=[N:4]-[N:5])-[C:7](-[N:6])=[O:8]>>[C:1]-[O:2].[C:3](=[N:4]-[N:5])(-[C:7](-[N:6])=[O:8])-[Br:9]	2	33133,33134
+[O:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8]:[n:9]:1>>[O:1]=[C:2](-[C:3](-[O:11]-[C:10])-[O:12]-[C:13])-[N:9]-[C:8]-[c:7](:[c:4]:[c:5]):[c:6]	2	33221,43127
+[c:1]:[c:2](-[C:3]=[O:5]):[n:4]>>[c:1]:[c:2](-[C:3](-[O:5]-[C:8])-[O:7]-[C:6]):[n:4]	2	33242,43218
+[n:1]:[c:2]:[c:3](-[S:4](=[O:5])(=[O:6])-[Cl:7]):[c:8]>>[n:1]:[c:2]:[c:3](:[c:8])-[N:9].[Cl:7].[S:4](=[O:5])=[O:6]	2	33246,34786
+[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])-[P:9](-[O:8]-[C:7])(=[O:10])-[O:11]-[C:12].[c:1]-[C:2]=[O:13]	2	33273,33275
+[c:1](-[C:2](=[O:3])-[O:6]):[c:4]-[N:5]>>[c:1]:1-[C:2](=[O:3])-[C:8](-[N:5]-[c:4]:1)=[O:7].[O:6]-[O:9]	2	33325,47260
+[c:1]:[c:2](-[C:3](-[C:4](=[O:5])-[N:6])(-[c:7])-[O:9]):[c:8]>>[c:1]:[c:2](:[c:8])-[Mg:11]-[Br:10].[C:3](-[C:4](=[O:5])-[N:6])(-[c:7])=[O:9]	2	33341,50237
+[c:1]:[c:6]:1:[n:2]:[n:3]:[c:4]:[c:5]:1>>[c:1]:[c:6]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:9](-[O:8]-[C:7])=[O:10]	2	33348,57184
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5]#[N:6]):[c:7]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5]=[N:6]-[O:8]):[c:7]:1	2	33353,51880
+[C:1](-[c:2])(-[C:3]-[c:4](:[n:5]):[c:6])=[O:7]>>[C:1](-[c:2])(=[O:7])-[O:9]-[C:8].[C:3]-[c:4](:[n:5]):[c:6]	2	33397,37061
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(=[O:6])-[O:7]	2	33435,44133
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:[c:11]:1:2)-[Cl:12]>>[n:1]:1:[n:2]:[c:3]:[c:4]:[c:11]:1-[N:10]-[c:9](:[c:6](-[C:5](=[O:17])-[O:18]):[c:7]):[c:8].[Cl:12]-[P:14](=[O:13])(-[Cl:15])-[Cl:16]	2	33483,35224
+[C:1]-[C:2](-[c:3])-[Cl:4]>>[C:1]-[C:2](-[c:3])-[O:5].[Cl:4]	2	33508,34800
+[N:1]#[C:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1>>[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1.[N:1](=[C:2]=[O:12])-[S:9](=[O:8])(=[O:10])-[Cl:11]	2	33512,45620
+[c:1]-[C:2](=[O:3])-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[c:1]-[C:2](=[O:3])-[N:12](-[O:11]-[C:10])-[C:13].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:9]	2	33525,38582
+[C:1]-1-[C:2](-[C:3])(-[O:4]-1)-[c:5]>>[C:2](-[C:3])(=[O:4])-[c:5].[C:1]-[S+:9](-[C:6])(=[O:7])-[C:8]	2	33550,33646
+[c:1](-[C:2]-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]:[n:8]>>[c:1](-[C:2]=[C:3]):[c:7]:[n:8].[N:4](-[C:5])-[C:6]	2	33595,33596
+[c:1]:[c:2](-[S:3](-[C:4])(=[O:5])=[O:6]):[c:7]>>[O:5]=[S:10](-[C:9])-[O:11].[S:3](-[C:4])(=[O:6])-[C:12].[c:1]:[c:2](:[c:7])-[Br:8]	2	33603,33604
+[c:1]-[C:2](=[O:3])-[C:4](=[O:5])-[c:6]>>[c:1]-[C:2]#[C:4]-[c:6].[O:3]=[S:8](-[C:7])-[C:9].[O:5]	2	33605,33606
+[S:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[S:1]-[C:2].[c:3](:[c:4]):[c:5]	2	33619,33620
+[c:1]:[c:2](-[P:3](-[C:4])(-[C:5])=[O:6]):[c:7]>>[P:3](-[C:4])(-[C:5])=[O:6].[c:1]:[c:2](:[c:7])-[Br:8]	2	33644,33645
+[C:1](#[C:2]-[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[Si:12](-[C:11])(-[C:13])-[C:14]>>[C:1](#[C:2])-[Si:12](-[C:11])(-[C:13])-[C:14].[c:3]:1(:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[I:15]	2	33690,33708
+[C:1]#[C:2]-[C:3]=[C:4]>>[C:1](#[C:2]-[C:3]=[C:4])-[Si:6](-[C:5])(-[C:7])-[C:8]	2	33728,56087
+[C:1]-[n:2]:1:[c:3]:[c:4]:[c:5](:[c:6]):[c:8]:1:[c:7]>>[C:3](#[C:4]-[c:5](:[c:6]):[c:8](:[c:7])-[F:13])-[Si:10](-[C:9])(-[C:11])-[C:12].[C:1]-[N:2]	2	33741,38385
+[n:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[c:7]:1:[c:6]>>[N:1]-[c:7](:[c:4](-[C:3]#[C:2]-[Si:9](-[C:8])(-[C:10])-[C:11]):[c:5]):[c:6]	2	33775,38710
+[N:1]#[C:2]-[C:3](-[N:4]-[c:5]:[c:7]:[n:6])-[c:8]>>[N:1]#[C:2]-[Si:10](-[C:9])(-[C:11])-[C:12].[C:3](-[c:8])=[O:13].[N:4]-[c:5]:[c:7]:[n:6]	2	33855,33871
+[N:1]#[C:2]-[C:3](=[C:4]-[C:5])-[c:6]>>[N:1]#[C:2]-[Si:8](-[C:7])(-[C:9])-[C:10].[C:3](-[C:4]-[C:5])(-[c:6])=[O:11]	2	33856,33864
+[c:1]-[C:3](-[C:2])(-[O:4])-[C:5]-[N:6]>>[C:5](#[N:6])-[Si:8](-[C:7])(-[C:9])-[C:10].[c:1]-[C:3](-[C:2])=[O:4]	2	33865,33874
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5](=[O:6])-[c:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[I:9].[C:3]=[C:4]-[C:5](-[O:6])-[c:7]	2	33890,50574
+[O:1]-[C:2]-[n:3]:1:[c:4](:[c:5]:[c:8]:[c:9]:1:[n:10]):[c:7]:[n:6]>>[O:1]-[C:2]-[Cl:11].[n:3]:1:[c:4](:[c:5]:[c:8]:[c:9]:1:[n:10]):[c:7]:[n:6]	2	33915,33916
+[c:1]:[c:2](-[C:3]-1=[C:4](-[C:5])-[C:6](=[O:7])-[N:8]-[C:9](=[O:10])-[N:11]-1):[c:12]>>[C:3]-1(=[C:4](-[C:5])-[C:6](=[O:7])-[N:8]-[C:9](=[O:10])-[N:11]-1)-[Br:14].[c:1]:[c:2](:[c:12])-[B:16](-[O:13])-[O:15]	2	33935,46668
+[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5](:[c:6]:[n:7]):[n:8]:1>>[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5](:[c:6]:[n:7]):[n:8]:1-[C:16]-[O:15]-[C:14]-[C:13]-[Si:10](-[C:9])(-[C:11])-[C:12]	2	33980,33997
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:8]-[C:7]-[Si:4](-[C:3])(-[C:5])-[C:6]	2	34004,34041
+[c:1]:[c:2](-[S:3]-[c:4]:1:[n:5]:[n:6]:[c:7]:2:[c:8]:[c:9]:[c:10](-[c:11]:3:[c:12]:[n:13]:[n:14]:[c:15]:3):[n:16]:[n:17]:1:2):[c:18]>>[S:3]=[C:4]-1-[N:5]-[N:6]=[C:7]-2-[C:8]=[C:9]-[C:10](-[c:11]:3:[c:12]:[n:13]:[n:14]:[c:15]:3)=[N:16]-[N:17]-1-2.[c:1]:[c:2](:[c:18])-[O:22]-[S:20](=[O:19])(=[O:21])-[C:23](-[F:24])(-[F:25])-[F:26]	2	34036,38285
+[n:1]:[c:3](:[n:2])-[C:4]=[N:5]-[O:6]>>[n:1]:[c:3](:[n:2])-[C:4]=[O:7].[N:5]-[O:6]	2	34057,47084
+[O:1]-[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6](:[c:7]:1):[n:8]>>[c:2]:1(:[n:3]:[c:4]:[n:5]:[c:6](:[c:7]:1):[n:8])-[Cl:9].[O:1]	2	34066,43004
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[C:6](-[O:7])-[c:8]>>[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1.[C:6](=[O:7])-[c:8]	2	34109,37092
+[c:1]-[C:2]=[N:3]-[C:4](=[C:5])-[O:6]-[Si:7](-[C:8])(-[C:9])-[C:10]>>[Si:7](-[C:8])(-[C:9])(-[C:10])-[Cl:20].[N:3](-[Si:12](-[C:11])(-[C:13])-[C:14])-[Si:15](-[C:16])(-[C:17])-[C:18].[C:4](-[C:5])(=[O:6])-[Cl:19].[c:1]-[C:2]=[O:21]	2	34115,34116
+[O:1]=[C:2](-[C:3])-[N:4]-[O:5]>>[O:1]=[C:2](-[C:3])-[N:4]-[O:5]-[Si:7](-[C:6])(-[C:8])-[C:9]	2	34203,34204
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[Si:5](-[C:4])(-[C:6])-[C:7]	2	34210,34213
+[c:1]:1:[c:2](-[N:3]-[c:4]):[c:5](:[c:6]:[o:9]:1):[c:8]:[n:7]>>[N:3]-[c:4].[c:1]:1:[c:2](:[c:5](:[c:6]:[o:9]:1):[c:8]:[n:7])-[O:11]-[S:17](=[O:10])(-[C:12](-[F:13])(-[F:14])-[F:15])=[O:16]	2	34217,34218
+[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:11]):[c:6]:[c:7](-[c:8]):[n:9]:1-[c:10]>>[N:9]-[c:10].[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:11])-[C:6]-[C:7](-[c:8])=[O:13])=[O:12]	2	34241,54520
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:1>>[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6](:[c:7]):[c:9]:[c:8])-[N:10]=[N+:12]=[N-:11]	2	34243,56710
+[c:1](-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]):[c:7]:[n:8]>>[c:1](-[N:2]-[C:3]):[c:7]:[n:8].[C:4](=[O:5])(-[c:6])-[Cl:9]	2	34263,50277
+[c:1]-[C:2]-[O:3]-[c:4]:1:[n:5]:[n:6](-[C:7]):[c:8]:[c:9]:1-[C:10](=[O:11])-[O:12]>>[c:1]-[C:2]-[Cl:13].[O:3]=[C:4]-1-[N:5]-[N:6](-[C:7])-[C:8]=[C:9]-1-[C:10](=[O:11])-[O:12]	2	34301,51840
+[c:1]-[C:2]-[O:3]-[c:4]:1:[n:5]:[n:6](-[c:7]):[c:8]:[c:9]:1-[C:10]=[O:11]>>[c:1]-[C:2]-[Cl:12].[O:3]=[C:4]-1-[N:5]-[N:6](-[c:7])-[C:8]=[C:9]-1-[C:10]=[O:11]	2	34303,34304
+[S:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[C:3](=[O:4])(-[C:5]=[C:6])-[O:7].[S:1]-[N:2]	2	34323,36911
+[C:1](-[c:2])-[Br:3]>>[C:1]-[c:2].[Br:3]-[N:11]-[C:9](-[C:8]-[C:7]-[C:5](-[N:4])=[O:6])=[O:10]	2	34328,41433
+[n:1]:[c:2]:[c:3]-[C:8](=[O:7])-[O:9]>>[n:1]:[c:2]:[c:3]-[C:8](=[O:7])-[N:10].[S:4](=[O:5])(-[O:6])(-[O:9])=[O:11]	2	34343,39077
+[c:1](:[c:2]:[n:3])-[O:7]-[S:5](=[O:4])(=[O:6])-[C:8](-[F:9])(-[F:10])-[F:11]>>[c:1](:[c:2]:[n:3])-[O:7].[O:4]=[S:5](=[O:6])(-[C:8](-[F:9])(-[F:10])-[F:11])-[O:15]-[S:13](=[O:12])(=[O:14])-[C:16](-[F:17])(-[F:18])-[F:19]	2	34349,38223
+[c:1]-[C:2](-[c:3])-[N:4]-1-[C:5]=[C:6]-[C:7]=[C:8](-[C:9](=[O:10])-[O:11])-[C:12]-1=[O:13]>>[c:1]-[C:2](-[c:3])-[Br:14].[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8](-[C:9](=[O:10])-[O:11]):[c:12]:1-[O:13]	2	34366,34435
+[c:1]-[C:2]-1-[C:3](-[C:4]#[N:5])=[C:6](-[C:7])-[N:8]-[C:9](-[C:10])=[C:11]-1-[C:12]#[N:13]>>[c:1]-[C:2]=[O:15].[C:3](-[C:4]#[N:5])-[C:6](-[C:7])=[O:14].[N:8]-[C:9](-[C:10])=[C:11]-[C:12]#[N:13]	2	34399,34400
+[c:1]-[O:5]-[C:4]-[C:3]-[C:2](=[O:6])-[O:7]>>[c:1]-[O:5].[C:2]-1(-[C:3]-[C:4]-[O:7]-1)=[O:6]	2	34431,43657
+[c:1](:[c:2])(:[n:3])-[O:10]-[S:7](-[c:6]:1:[c:5]:[c:4]:[c:14](:[c:12]:[c:11]:1)-[C:13])(=[O:8])=[O:9]>>[c:4]:1:[c:5]:[c:6](-[S:7](=[O:8])(=[O:9])-[Cl:15]):[c:11]:[c:12]:[c:14]:1-[C:13].[c:1](:[c:2])(:[n:3])-[O:10]	2	34512,49290
+[n:1]:[c:2](-[N:3]-[C:4]=[C:5]-[C:6](=[O:7])-[N:8]):[c:9]>>[C:4](=[C:5]-[C:6](=[O:7])-[N:8])-[O:10].[n:1]:[c:2](-[N:3]):[c:9]	2	34523,50097
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]:[c:7](:[c:8]):[c:9]):[c:10]>>[c:5](:[n:6]:[c:7](:[c:8]):[c:9])(:[c:10])-[Cl:11].[C:1]-[C:2](=[O:3])-[N:4]	2	34564,44088
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]=[C:2]-[C:3]-[c:4]	2	34599,51782
+[n:1]:1:[c:2]:[n:3]:[c:4](-[C:5]#[C:6]):[c:7]:1>>[n:1]:1:[c:2]:[n:3]:[c:4](:[c:7]:1)-[I:8].[C:5]#[C:6]	2	34617,34618
+[c:1]:1:[c:2]:[n:3](-[N:4]-[C:5](=[O:6])-[c:7](:[c:8]:[n:9]):[c:11]:[n:10]):[c:12](:[c:13]):[c:14]:1>>[C:5](=[O:6])(-[c:7](:[c:8]:[n:9]):[c:11]:[n:10])-[O:15].[c:1]:1:[c:2]:[n:3](-[N:4]):[c:12](:[c:13]):[c:14]:1	2	34631,34632
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]):[s:7])-[c:8]>>[C:1]-[N:2]-[c:8].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:9]	2	34641,50931
+[N:1]-[C:2](-[c:3]:[c:5]:[n:4])=[N:6]-[O:7]>>[N:1]#[C:2]-[c:3]:[c:5]:[n:4].[N:6]-[O:7]	2	34649,41330
+[N:1](-[c:2]:[c:4]:[n:3])=[C:5]=[S:6]>>[N:1]-[c:2]:[c:4]:[n:3].[C:5](=[S:6])(-[Cl:7])-[Cl:8]	2	34668,34982
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5])-[c:6](:[c:7]:[n:8]):[c:10]:[n:9]>>[O:1]-[C:2](=[O:3])-[C:4]-[c:6](:[c:7]:[n:8]):[c:10]:[n:9].[O:5]-1-[N:20](-[S:12](=[O:11])(=[O:13])-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[C:21]-1-[c:22]:3:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:3	2	34717,50315
+[c:1]:[c:5]:1:[n:4](:[c:3]:[c:2]):[c:8](:[c:7]:[n:6]:1)-[c:9]:2:[n:10]:[c:11]:[n:12]:[c:13]:[c:14]:2>>[c:1]:[c:5]:1:[n:4](:[c:3]:[c:2]):[c:8]:[c:7]:[n:6]:1.[c:9]:1(:[n:10]:[c:11]:[n:12]:[c:13]:[c:14]:1)-[I:15]	2	34732,40628
+[n:1]:[c:2]:[c:3](-[Cl:4]):[c:5]>>[Cl:4].[n:1]:[c:2]:[c:3]:[c:5]	2	34767,34792
+[C:1]-[O:2]-[C:3](-[N:4])=[O:5]>>[C:3](=[N:4]-[C:7](=[O:6])-[C:8](-[Cl:9])(-[Cl:10])-[Cl:11])=[O:5].[C:1]-[O:2]	2	34835,34836
+[c:1]:1:[c:2]:[c:3](-[I:4]):[c:5]:[n:6]:1>>[c:1]:1:[c:2]:[c:3]:[c:5]:[n:6]:1.[I:4]-[I:7]	2	34850,40529
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11]):[n:7].[N:5]-[C:6]	2	34851,34852
+[C:1]-[N:3]-[C:2]>>[C:1]-[N:3](-[C:2])-[C:5](=[O:4])-[O:6]-[C:7]-[C:8](-[Cl:9])(-[Cl:10])-[Cl:11]	2	34857,34861
+[O:1]=[C:2]-1-[N:3]-[c:4](:[c:5]:[n:6]):[c:8](:[n:7])-[N:9]-1-[c:10]>>[O:1]=[C:2](-[O:15]-[C:12](-[Cl:11])(-[Cl:13])-[Cl:14])-[O:16]-[C:17](-[Cl:18])(-[Cl:19])-[Cl:20].[N:3]-[c:4](:[c:5]:[n:6]):[c:8](:[n:7])-[N:9]-[c:10]	2	34880,34911
+[C:1]-1-[N:2]-[C:3](=[O:4])-[N:5](-[c:6](:[c:7]:[n:8]):[c:10]:[n:9])-[C:11]-1=[O:12]>>[C:3](=[O:4])(-[O:17]-[C:14](-[Cl:13])(-[Cl:15])-[Cl:16])-[O:18]-[C:19](-[Cl:20])(-[Cl:21])-[Cl:22].[C:1](-[N:2])-[C:11](-[N:5]-[c:6](:[c:7]:[n:8]):[c:10]:[n:9])=[O:12]	2	34921,34922
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[N:6]):[n:7](-[C:8]):[n:9]:[n:10]:1>>[N:7](-[C:8])=[N+:9]=[N-:10].[N:1]-[C:2](=[O:3])-[C:4]-[C:5]#[N:6]	2	34929,41277
+[c:1]-[O:2]-[C:3]-[C:4]=[C:5](-[Cl:6])-[Cl:7]>>[C:3](-[C:4]=[C:5](-[Cl:6])-[Cl:7])-[Cl:8].[c:1]-[O:2]	2	34931,34932
+[c:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[n:7]:1-[c:8]>>[c:1]-[C:2](-[C:3]-[C:4](-[C:5])=[O:10])=[O:9].[N:6]-[N:7]-[c:8]	2	34994,40033
+[C:1](=[O:2])-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4]):[c:5].[C:1](-[O:7]-[C:6])(-[Cl:8])-[Cl:9].[O:2]	2	35007,35008
+[C:1](-[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1)=[O:7]>>[C:1](-[O:7]-[C:8])(-[Cl:9])-[Cl:10].[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1	2	35015,35016
+[C:1]-[C:2](-[C:3](=[O:4])-[N:5])-[Cl:6]>>[C:1]-[C:2](-[C:3](=[O:4])-[N:5])(-[Cl:6])-[Cl:7]	2	35027,35031
+[C:1]-[c:2]:1:[c:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[C:1]-[C:2](-[C:3]-[Cl:9])=[O:8].[O:4]=[C:5](-[c:6])-[N:7]	2	35042,35045
+[c:1]-[C:4](-[C:3](-[N:2])=[O:9])(-[C:5]-[C:6])-[C:8]-[C:7]>>[C:5](-[C:6])-[Cl:10].[C:7]-[C:8]-[Cl:11].[c:1]-[C:4]-[C:3](-[N:2])=[O:9]	2	35054,35055
+[c:1]-[C:2](-[C:3])-[Cl:4]>>[Cl:4]-[C:6]-[Cl:5].[c:1]-[C:2](-[C:3])-[O:7]	2	35075,35107
+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[Cl:4]-[C:6]-[Cl:5].[C:1](=[O:2])(-[c:3])-[O:7]	2	35118,35119
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7]-[c:8](:[n:9]):[c:10]>>[C:7](-[c:8](:[n:9]):[c:10])-[Cl:11].[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1	2	35147,39834
+[n:1]:[c:2]:[c:3](:[c:4])-[I:5]>>[n:1]:[c:2]:[c:3]:[c:4].[I:5]-[Cl:6]	2	35157,35160
+[C:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[P:6](-[Cl:5])(-[Cl:7])(-[Cl:8])-[Cl:9].[C:1]-[C:2](=[O:3])-[O:10]	2	35172,35173
+[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:5]>>[Cl:5]-[P:7](-[Cl:6])(-[Cl:8])(-[Cl:9])-[Cl:10].[c:1]-[S:2](=[O:3])(=[O:4])-[O:11]	2	35175,35179
+[O:1]=[C:2]-[N:7]-[C:5](=[N:4]-[c:3])-[Cl:6]>>[Cl:6]-[P:9](=[O:8])(-[Cl:10])-[Cl:11].[O:1]=[C:2]-[N:7]-[C:5](-[N:4]-[c:3])=[O:12]	2	35186,35337
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[n:5]:[c:6]:[n:7]:[n:8]:2:[c:9](-[Cl:10]):[c:11]:1>>[C:1]-[C:2]-1=[N:3]-[c:4]:2:[n:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:11]-1)=[O:16].[Cl:10]-[P:13](=[O:12])(-[Cl:14])-[Cl:15]	2	35192,35244
+[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5](-[Cl:6]):[n:7]:[n+:8]:1>>[Cl:6]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5](:[n:7]:[n+:8]:1)-[O:13]	2	35233,35320
+[c:1]:[c:2](:[n:3]):[c:4](-[Cl:5]):[n:6]:[n:7]>>[Cl:5]-[P:9](=[O:8])(-[Cl:10])-[Cl:11].[c:1]:[c:2](:[n:3]):[c:4](:[n:6]:[n:7])-[O:12]	2	35348,35461
+[n:1]:[c:2]:1:[c:3](-[Cl:4]):[c:5]:[c:6]:[n:7]:[c:8]:1>>[Cl:4]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[n:1]:[c:2]:1:[c:3](:[c:5]:[c:6]:[n:7]:[c:8]:1)-[O:13]	2	35363,35403
+[c:1]:1:[n:2]:[n:3]:2:[c:4](-[c:5]):[c:6]:[c:7](:[n:8]:[c:9]:2:[c:10]:1)-[Cl:11]>>[Cl:11]-[P:13](=[O:12])(-[Cl:14])-[Cl:15].[c:1]:1:[n:2]:[n:3]:2-[C:4](-[c:5])=[C:6]-[C:7](-[N:8]-[c:9]:2:[c:10]:1)=[O:16]	2	35377,35408
+[c:1]:1(:[c:2]:[n:3]:[n:4]:[c:5]:[c:6]:1)-[Cl:7]>>[Cl:7]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[c:1]:1(:[c:2]:[n:3]:[n:4]:[c:5]:[c:6]:1)-[O:8]	2	35441,35482
+[c:1]-[N:2]=[C:3](-[Cl:4])-[C:5](=[O:6])-[N:7]>>[Cl:4]-[P:9](=[O:8])(-[Cl:10])-[Cl:11].[c:1]-[N:2]-[C:3](-[C:5](=[O:6])-[N:7])=[O:12]	2	35455,35460
+[C:1]-[C:2](-[Cl:3])-[c:4]:[c:6]:[n:5]>>[Cl:3]-[S:8](=[O:7])-[Cl:9].[C:1]-[C:2](-[c:4]:[c:6]:[n:5])-[O:10]	2	35569,35603
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]-[Cl:7]>>[Cl:7]-[S:9](=[O:8])-[Cl:10].[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]-[O:11]	2	35580,35799
+[c:1]:1(:[n:2]:[c:3](:[c:4](:[c:5]):[o:7]:1):[c:6])-[Cl:8]>>[Cl:8]-[S:10](=[O:9])-[Cl:11].[C:1]-1(-[N:2]-[c:3](:[c:4](:[c:5])-[O:7]-1):[c:6])=[S:12]	2	35682,35716
+[C:1]-[C:2](-[c:3](:[c:4]):[n:5])-[Cl:6]>>[Cl:6]-[S:8](=[O:7])-[Cl:9].[C:1]-[C:2](-[c:3](:[c:4]):[n:5])-[O:10]	2	35685,35802
+[c:1]:[n:11]:[c:4](:[n:3]:[c:2])-[n:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1:[c:10]>>[n:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1:[c:10].[c:1]:[n:11]:[c:4](:[n:3]:[c:2])-[Cl:12]	2	35856,40140
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[c:7]:2:[n:8]:[c:9]:[n:10]:[c:11]:[c:12]:2>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1.[c:7]:1(:[n:8]:[c:9]:[n:10]:[c:11]:[c:12]:1)-[Cl:13]	2	35859,40139
+[O:1]=[C:2](-[C:3]-[N:4]-[c:5])-[N:6]>>[O:1]=[C:2](-[C:3]-[Br:7])-[N:6].[N:4]-[c:5]	2	35864,36126
+[C:1]-[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[c:2](:[n:3]:[c:4]:[c:5])(:[c:6])-[Cl:15].[C:1]-[B:13]-1-[O:12]-[B:10](-[O:9]-[B:8](-[C:7])-[O:14]-1)-[C:11]	2	35873,43629
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[Cl:5].[N:1]	2	35901,40864
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](-[N:6]):[c:7](-[C:8]=[O:9]):[s:10]:1>>[C:7](-[C:8]=[O:9])-[Br:11].[N:4]-[C:5]#[N:6].[c:1]-[N:2]=[C:3]=[S:10]	2	35902,41319
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2]#[N:8].[O:3]=[C:6](-[C:5])-[O:7].[O:4]-[S:10](=[O:9])(=[O:11])-[O:12]	2	35903,44114
+[C:1]-[O:2]-[C:3]=[O:4]>>[O:2]-[C:3]=[O:4].[C:1]-[O:10]-[C:7](-[O:6]-[C:5])-[O:8]-[C:9]	2	35917,43198
+[n:1]:[c:2]:[c:3]-[O:4]-[C:5]-[C:6](-[F:7])(-[F:8])-[F:9]>>[n:1]:[c:2]:[c:3]-[O:4].[C:5](-[C:6](-[F:7])(-[F:8])-[F:9])-[O:17]-[S:15](-[C:10](-[F:11])(-[F:12])-[F:13])(=[O:14])=[O:16]	2	35938,38215
+[c:1]-1:[c:2]-[N:3]=[C:4](-[c:5](:[c:6]):[n:7])-[O:8]-[C:9]-1=[O:10]>>[c:1](:[c:2]-[N:3])-[C:9](=[O:10])-[O:12].[C:4](-[c:5](:[c:6]):[n:7])(-[O:8])=[O:11]	2	35992,36085
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[c:6]):[o:7]:1>>[C:1]-[C:2](-[N:3]-[C:4]-[C:5](-[c:6])=[O:7])=[O:8]	2	36000,43038
+[O:1]-[C:2](-[c:3]:[c:4]:[n:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[O:1]=[C:2]-[c:3]:[c:4]:[n:5].[C:6](-[F:7])(-[F:8])(-[F:9])-[Si:12](-[C:10])(-[C:11])-[C:13]	2	36015,38333
+[C:1]-1(=[C:2]-[N:3](-[C:4]-[c:5])-[C:6](=[O:7])-[C:8]=[C:9]-1)-[Br:10]>>[C:4](-[c:5])-[Br:11].[c:1]:1(:[c:2]:[n:3]:[c:6](-[O:7]):[c:8]:[c:9]:1)-[Br:10]	2	36027,51587
+[c:1]:1(:[n:2]:[c:3](:[c:4]):[c:6](:[c:5]):[c:7]:[n:8]:1)-[O:9]>>[N:2]-[c:3](:[c:4]):[c:6](:[c:5])-[C:7]=[O:11].[C:1](-[N:8])(=[O:9])-[N:10]	2	36035,42032
+[c:1]:[c:2](-[N:3]=[C:4]-[c:5]):[n:6]>>[c:1]:[c:2](-[N:3]):[n:6].[C:4](-[c:5])=[O:7]	2	36047,36241
+[C:1]-[C:2](=[C:3](-[C:4](=[O:5])-[N:6]-[c:7])-[C:8])-[N:9]>>[C:1]-[C:2](=[C:3](-[C:4](=[O:5])-[O:10])-[C:8])-[N:9].[N:6]-[c:7]	2	36073,42648
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8](:[n:9]):[c:10]>>[C:1]-[O:2].[C:3]-1(-[C:4]-[C:5]=[N:6]-[N:7]-1-[c:8](:[n:9]):[c:10])=[O:11]	2	36080,36081
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]:[c:8]:[n:7]>>[c:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[c:6]:[c:8]:[n:7])-[Cl:9]	2	36090,45459
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[N:7].[c:1]:[c:2]:[c:6]	2	36097,51015
+[n:1]:1:[c:2](-[S:3]-[c:4](:[c:5]):[c:6]):[n:7]:[c:8]:2:[c:9]:[n:10]:[c:11]:[n:12]:[c:13]:1:2>>[c:4](:[c:5])(:[c:6])-[I:14].[N:1]-1-[C:2](=[S:3])-[N:7]-[c:8]:2:[c:9]:[n:10]:[c:11]:[n:12]:[c:13]-1:2	2	36172,39510
+[c:1](:[n:2]):[c:4]:1:[c:3]:[n:8]:[n:7]:[c:5]:1-[I:6]>>[c:1](:[n:2]):[c:4]:1:[c:3]:[n:8]:[n:7]:[c:5]:1.[I:6]-[I:9]	2	36303,37040
+[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:6]>>[c:1]-[C:2]=[O:13].[C:3](-[C:4](=[O:5])-[O:6])=[P:18](-[c:17]:1:[c:11]:[c:12]:[c:14]:[c:15]:[c:16]:1)(-[c:19]:2:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:2)-[c:25]:3:[c:10]:[c:9]:[c:8]:[c:7]:[c:26]:3	2	36352,53000
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[C:2]-[O:6].[c:3](:[c:4]):[c:5]	2	36367,53489
+[O:1]=[C:2](-[C:3])-[O:4]>>[C:2](-[C:3])-[O:4].[O:1]	2	36412,42991
+[n:1]:1:[c:2]:[c:3]:[c:4](-[C:5]#[N:6]):[c:7]:1>>[n:1]:1:[c:2]:[c:3]:[c:4]:[c:7]:1.[C:5](#[N:6])-[C:8]	2	36506,41211
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[c:1]-[C:2](=[O:11])-[O:12].[N:3]-[c:4]:1:[c:5]:[n:6]:[c:7]:[n:8]:[c:9]:1-[N:10]	2	36530,42453
+[c:1]:[c:2](-[O:3]-[C:6](-[C:5])=[O:7]):[c:4]>>[O:3]-[O:10]-[C:9](=[O:8])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15](-[Cl:16]):[c:17]:1.[c:1]:[c:2](:[c:4])-[C:6](-[C:5])=[O:7]	2	36613,36632
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2](-[N:3]-[N:5])=[O:4]	2	36783,56915
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]:[n:6]):[n:7])-[C:8]>>[C:3](-[c:4](:[c:5]:[n:6]):[n:7])-[Cl:9].[C:1]-[N:2]-[C:8]	2	36898,43723
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]>>[c:1]:[c:2](-[C:3]=[N:4]-[O:6]):[n:5]	2	36954,49869
+[n:1]:[c:2]:[c:3](-[C:4](-[c:5])-[O:8]):[c:6]:[n:7]>>[n:1]:[c:2]:[c:3](:[c:6]:[n:7])-[Br:9].[C:4](-[c:5])=[O:8]	2	36976,44708
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6]:2:[c:7]:[n:8]:[c:9]:[c:10]:2):[n:11]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:11]:1)-[Cl:12].[c:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:1	2	36980,50305
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[C:6]=[C:7]):[c:8]:1>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[Cl:9].[C:6](=[C:7])-[B:11](-[O:10])-[O:12]	2	37004,46388
+[n:1]:[c:2]:1:[c:3]:[s:4]:[c:5]:[c:6]:1-[c:7](:[c:8]):[c:9]>>[n:1]:[c:2]:1:[c:3]:[s:4]:[c:5]:[c:6]:1-[Br:10].[c:7](:[c:8])(:[c:9])-[B:12](-[O:11])-[O:13]	2	37038,46710
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:9].[c:1]:[c:2](:[c:8])-[O:13]-[B:11](-[O:10])-[O:12]	2	37068,37069
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[N:3]-[N:4]-[c:5].[C:1]-[C:2](-[C:8]-[C:6](-[N:7])=[S:10])=[O:9]	2	37071,37072
+[c:1]-[S:2](=[O:3])(=[O:4])-[F:5]>>[F:5].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:6]	2	37098,37110
+[C:1]-[O:2]-[C:3](-[F:4])-[F:5]>>[C:3](-[C:10](-[F:4])(-[F:5])-[S:7](=[O:6])(=[O:8])-[F:9])(=[O:11])-[O:12].[C:1]-[O:2]	2	37129,37130
+[N:1]#[C:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7](-[c:8](:[n:9]):[c:10]):[c:11]:1>>[N-:1]=[C:2]=[C:3]-1-[N+:4](-[C:5]=[C:6]-[C:7](-[c:8](:[n:9]):[c:10])=[C:11]-1)=[O:12]	2	37142,39698
+[c:1]-[N:2]-1-[C:3](=[O:4])-[C:5]=[C:6](-[C:7])-[N:8]-[C:9]-1=[O:10]>>[C:3](=[O:4])(-[C:5]=[C:6](-[C:7])-[N:8])-[O:14]-[C:13]-[C:12].[c:1]-[N:2]-[C:9](=[O:10])-[O:11]-[C:16]-[C:15]	2	37181,37182
+[c:1]-[C:2]-1=[N:3]-[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])(-[C:9]-[N:10]-1-[c:11])-[O:12]>>[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])(-[C:9]-[Br:13])=[O:12].[c:1]-[C:2](-[N:3])=[N:10]-[c:11]	2	37192,37193
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[F:8]):[n:9]:[n:10]:1>>[C:1]-[C:2](-[C:3]-[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])=[O:12])=[O:11].[N:9]-[N:10]	2	37196,37199
+[c:1]-[C:3](-[c:2])-[C:4](-[C:5])-[C:6]>>[c:1]-[C:3](-[c:2])=[C:4](-[C:5])-[C:6]	2	37216,56108
+[N:1]=[S:2]>>[N:1](=[S:2])-[C:8](-[C:3](-[F:4])(-[F:5])-[F:6])=[O:7]	2	37240,37509
+[C:1](-[N:2])-[C:3](=[O:4])-[N:5]>>[C:1](-[N:2]-[C:7](=[O:6])-[C:8](-[F:9])(-[F:10])-[F:11])-[C:3](=[O:4])-[N:5]	2	37242,37245
+[N:1]-[C:2].[c:3]-[C:4]=1-[N:5]-[N:6]-[C:7](=[O:8])-[N:9]=1>>[N:1](-[C:2])-[C:11](=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15].[c:3]-[C:4]-1=[N:5]-[N:6]-[C:7](=[O:8])-[N:9]-1	2	37277,37550
+[n:1]:[c:3](:[c:2])-[N:4]>>[n:1]:[c:3](:[c:2])-[N:4]-[C:6](=[O:5])-[C:7](-[F:8])(-[F:9])-[F:10]	2	37286,37570
+[c:1]-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[c:9]:1-[c:10](:[n:11]):[c:12]>>[c:1]-[C:2]#[C:9]-[c:10](:[n:11]):[c:12].[N:3]-[n+:4](:[c:5]:[c:6]):[c:8]:[c:7]	2	37296,50811
+[N:1]-[c:2](:[c:3]:[n:4]):[n:5]>>[N:1](-[c:2](:[c:3]:[n:4]):[n:5])-[C:7](=[O:6])-[C:8](-[F:9])(-[F:10])-[F:11]	2	37299,37300
+[C:1]-[C:2](=[O:3])-[c:4]>>[O:3]=[C:21](-[O:20]-[c:19]:1:[c:13](-[O:12]-[C:11](=[O:10])-[C:26](-[F:27])(-[F:28])-[F:29]):[c:14](-[I:15]):[c:16]:[c:17]:[c:18]:1)-[C:22](-[F:23])(-[F:24])-[F:25].[C:1]-[C:2]-1(-[c:4])-[S:7]-[C:6]-[C:5]-[C:9]-[S:8]-1	2	37357,37358
+[C:1]-[c:2]:1:[c:3](-[C:4](-[F:5])(-[F:6])-[F:7]):[n:8]:[c:9]:2:[c:10]:[c:11]:[c:12]:[n:13]:[n:14]:1:2>>[C:1]-[C:2](-[C:3](-[C:4](-[F:5])(-[F:6])-[F:7])=[O:15])-[Br:16].[N:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[n:13]:[n:14]:1	2	37371,37372
+[C:1](-[C:8]=[C:2](-[c:3])-[C:4](-[F:5])(-[F:6])-[F:7])=[O:9]>>[C:1](-[C:8]-[C:2](-[c:3])(-[C:4](-[F:5])(-[F:6])-[F:7])-[O:10])=[O:9]	2	37413,37589
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5](-[C:6])=[N:7]-[N:8]-1-[c:9]):[n:10]>>[c:1]:[c:2](-[C:3]=[C:4]-[C:5](-[C:6])=[O:11]):[n:10].[N:7]-[N:8]-[c:9]	2	37444,37445
+[c:1]:[c:2](-[C:3](-[F:4])(-[F:5])-[C:6](-[F:7])(-[F:8])-[F:9]):[c:10]>>[c:1]:[c:2](:[c:10])-[I:11].[C:3](-[F:4])(-[F:5])(-[C:6](-[F:7])(-[F:8])-[F:9])-[C:13](=[O:12])-[O:14]	2	37448,37449
+[c:1]:[c:2](-[C:3]-[O:4]-[c:5]):[o:6]>>[c:1]:[c:2](-[C:3]-[Br:7]):[o:6].[O:4]-[c:5]	2	37489,50648
+[c:1]-[C:2]-[N:3]-[c:4](:[n:5]):[o:6]>>[N:3]-[c:4](:[n:5]):[o:6].[c:1]-[C:2]=[O:7]	2	37590,37591
+[C:1](=[O:2])(-[C:3]-[N:4])-[O:5]>>[C:1]-1(=[O:2])-[C:3]-[N:4]-[C:7](=[O:6])-[N:8]-1.[O:5]	2	37687,42979
+[C:1]-[C:2]-[N:3]-[c:4]>>[C:1]-[C:2]-[O:13]-[S:10](-[c:9]:1:[c:8]:[c:7]:[c:6](-[C:5]):[c:15]:[c:14]:1)(=[O:11])=[O:12].[N:3]-[c:4]	2	37692,52842
+[N:1]-1-[C:2]-[C:3]=[C:4](-[C:5])-[N:6](-[C:7])-[C:8]-1=[O:9]>>[N:1]-1-[C:2]-[C:3]=[C:4](-[C:5])-[N:6]-[C:8]-1=[O:9].[C:7]-[O:15]-[S:12](-[O:11]-[C:10])(=[O:13])=[O:14]	2	37718,37790
+[C:1](-[c:2])-[I:3]>>[C:1](-[c:2])-[O:5].[I:3]-[I:4]	2	37738,40569
+[C:1](-[O:2])(-[C:3]-[N:4])=[O:5]>>[C:1](-[O:2])(-[C:3]-[N:4]=[N+:7]=[N-:6])=[O:5]	2	37799,47838
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[O:1]=[C:2](-[C:3])-[Cl:10].[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1	2	37852,42436
+[N:1]-[C:2](=[O:3])-[c:4](:[n:5]):[c:6]>>[N:1]#[C:2]-[c:4](:[n:5]):[c:6].[O:3]-[N:7]	2	37937,39079
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[C:6](=[O:7])-[O:8]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Cl:9].[C:6](=[O:7])-[O:8]	2	37970,49264
+[S:1]-[n:2]:1:[c:3](-[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2):[c:9]:[c:10]:3:[c:11]:1:[c:12]:[c:13]:[n:14]:[c:15]:3>>[C:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)#[C:9].[S:1]-[N:2]-[c:11]:1:[c:10](:[c:15]:[n:14]:[c:13]:[c:12]:1)-[I:16]	2	37991,45180
+[C:1]=[C:2](-[C:3](=[O:4])-[N:5]-[C:6])-[N:7]>>[N:5]-[C:6].[C:1]=[C:2](-[C:3](=[O:4])-[O:8])-[N:7]	2	38044,39331
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[n:6])-[c:7]>>[O:1]=[C:2](-[c:7])-[O:8].[N:3]-[c:4](:[n:5]):[n:6]	2	38048,56827
+[C:1](=[O:2])-[C:3](=[O:4])-[O:5]>>[C:1](=[O:2])-[C:3](=[O:4])-[O:5]-[C:6]	2	38053,43915
+[O:1]-[C:2]-[c:3](:[n:4]):[s:5]>>[O:1]=[C:2](-[c:3](:[n:4]):[s:5])-[O:8]-[C:7]-[C:6]	2	38061,54503
+[c:1]:[c:2](-[N:3]-1-[C:4](=[O:5])-[C:6](-[O:7])=[C:8](-[C:9]=[O:10])-[C:11]-1-[c:12]):[n:13]>>[C:11](-[c:12])=[O:17].[C:4](=[O:5])(-[C:6](=[O:7])-[C:8]-[C:9]=[O:10])-[O:16]-[C:15]-[C:14].[c:1]:[c:2](-[N:3]):[n:13]	2	38096,53576
+[c:1]:1:[n:2]:[n:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]:1>>[c:4](:[c:5])(:[c:6])-[I:9].[c:1]:1:[n:2]:[n:3]:[c:7]:[n:8]:1	2	38111,39069
+[C:1]-[C:2](=[O:3])-[N:4]-1-[C:5]-[C:6](=[O:7])-[N:8]-[c:9]:[c:10]-1:[n:11]>>[C:1]-[C:2](=[O:3])-[O:12].[N:4]-1-[C:5]-[C:6](=[O:7])-[N:8]-[c:9]:[c:10]-1:[n:11]	2	38125,38140
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[B:11](-[O:10])-[O:12]	2	38129,44733
+[N:1]-[N:2]-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]>>[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:8].[N:1]-[N:2]	2	38135,38825
+[n:1]:[c:2]:[c:3]-[N:4]-[C:5](=[S:6])-[N:7]-[c:8]>>[C:5](=[S:6])=[N:7]-[c:8].[n:1]:[c:2]:[c:3]-[N:4]	2	38151,52888
+[N:1]-1-[C:2](=[O:3])-[c:4]:2:[c:5](:[n:6]:[c:7](-[C:8]):[n:9]:2)-[N:10]-[C:11]-1=[O:12]>>[N:1]-1-[C:2](=[O:3])-[C:4](=[C:5](-[N:6])-[N:10]-[C:11]-1=[O:12])-[N:9]-[C:7](-[C:8])=[O:13]	2	38162,54936
+[C:1]-[C:2]-[c:3](:[c:4]):[n:6]:[n:5]>>[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:7].[C:1]-[C:2]-[Zn+:8]	2	38164,41302
+[c:1]:[c:2](-[C:3](=[C:4](-[C:5](=[O:9])-[O:19])-[C:6])-[C:7]):[c:8]>>[C:3](=[C:4](-[C:5](=[O:9])-[O:19])-[C:6])(-[C:7])-[O:11]-[S:21](=[O:10])(-[C:12](-[F:13])(-[F:14])-[F:15])=[O:20].[c:1]:[c:2](:[c:8])-[B:17](-[O:16])-[O:18]	2	38204,38209
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:1]:[c:2](:[c:7])-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15].[c:3](:[c:4])(:[c:6]:[n:5])-[B:17](-[O:16])-[O:18]	2	38265,38291
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[n:6]:[c:7]:[c:8]>>[c:1]:[c:2](:[n:6]:[c:7]:[c:8])-[O:12]-[S:10](=[O:9])(=[O:11])-[C:13](-[F:14])(-[F:15])-[F:16].[c:3](:[c:4])(:[c:5])-[B:18](-[O:17])-[O:19]	2	38280,38317
+[c:1]-[N:7](-[C:5](-[C:3](-[N:2])=[O:4])=[O:6])-[O:8]>>[c:1]-[N+:7](-[O-:8])=[O:12].[N:2]-[C:3](=[O:4])-[C:5](=[O:6])-[O:11]-[C:10]-[C:9]	2	38372,44229
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Zn+:10]	2	38377,48822
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:5]-[C:4]=[C:3]	2	38384,38810
+[C:1]-[C:2](-[C:3]-[c:4])-[C:5]=[O:6]>>[C:1]-[C:2](=[C:3]-[c:4])-[C:5]=[O:6]	2	38427,56185
+[O:1]-[C:2](-[C:3](=[O:4])-[N:8])-[C:5](-[O:6])-[c:7]>>[C:5](=[O:6])-[c:7].[O:1]-[C:2]-[C:3](=[O:4])-[N:8]	2	38429,52254
+[n:1]:[c:4](:[c:3]:[n:2]):[c:5](-[N+:6](=[O:8])-[O-:9]):[c:7]>>[n:1]:[c:4](:[c:3]:[n:2]):[c:5]:[c:7].[N+:6](=[O:8])(-[O-:9])-[O:10]	2	38450,47621
+[N:1]-[C:6](-[C:4](=[C:3]-[C:2])-[O:5])=[O:7]>>[N:1]-[C:6](-[C:4](=[C:3]-[C:2])-[O:5]-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1)=[O:7]	2	38451,55943
+[c:1]:1:[c:2](-[N+:3](=[O:4])-[O-:5]):[c:6]:[n:7]:[n:8]:1>>[c:1]:1:[c:2]:[c:6]:[n:7]:[n:8]:1.[N+:3](-[O:4])(-[O-:5])=[O:9]	2	38464,47703
+[C:1]-[N:2](-[c:3](:[c:4]):[n:5])-[c:7](:[c:6]):[n:8]:[c:9]:[c:10]>>[C:1]-[N:2]-[c:3](:[c:4]):[n:5].[c:6]:[c:7](:[n:8]:[c:9]:[c:10])-[Cl:11]	2	38482,57047
+[c:1]-[C:2](-[N:3]-[c:4])-[N:7](-[C:5]=[O:6])-[C:8]>>[N:3]-[c:4].[C:5](=[O:6])-[N:7]-[C:8].[c:1]-[C:2]=[O:9]	2	38508,44812
+[N:1]-1-[C:2](=[O:3])-[N:4](-[c:5](:[c:6]):[c:7])-[C:8](=[O:9])-[C:10]-1>>[c:5](:[c:6])(:[c:7])-[Br:11].[N:1]-1-[C:2](=[O:3])-[N:4]-[C:8](=[O:9])-[C:10]-1	2	38569,38570
+[N:1](-[C:2]-[C:3])=[N+:5]=[N-:4]>>[C:2](-[C:3])-[O:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13].[N:1](=[N+:5]=[N-:4])-[C:31]-[C:30]-1-[O:29]-[c:21]:2:[c:20](:[c:19]:[c:18](-[Cl:17]):[c:28]:[c:22]:2-[c:23]:3:[c:24]:[c:25]:[s:26]:[c:27]:3)-[C:32]-1	2	38589,47859
+[c:1]-[C:2](-[N:3]-[N:4]-[C:5]=[O:6])=[O:7]>>[N:3]-[N:4]-[C:5]=[O:6].[c:1]-[C:2](=[O:7])-[O:8]	2	38615,49688
+[N:1]#[C:2]-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1>>[N:1]-[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)=[O:8]	2	38621,40092
+[N:1]#[C:2]-[c:4](:[c:3]):[c:5]>>[c:3]:[c:4](:[c:5])-[Cl:6].[N:1]#[C:2]	2	38647,41145
+[n:1]:[c:2](-[C:3](-[N:4]-[N:5])=[O:6]):[c:7]:[n:8]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:10]-[C:9]):[c:7]:[n:8].[N:4]-[N:5]	2	38666,42249
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[n:6]:[c:7]:[c:8]:[n:9]:[n:10]:1:2>>[N:3]-[N:4]-[c:5]:1:[n:6]:[c:7]:[c:8]:[n:9]:[n:10]:1.[C:1]-[C:2](-[O:13]-[C:12]-[C:11])(-[O:14])-[O:15]	2	38688,46865
+[n:1]:1:[n:2]:[c:3](-[I:4]):[c:5]:[c:7]:1:[n:6]>>[n:1]:1:[n:2]:[c:3]:[c:5]:[c:7]:1:[n:6].[I:4]-[N:12]-1-[C:10](-[C:9]-[C:8]-[C:14]-1=[O:13])=[O:11]	2	38780,44422
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6](:[c:5]:[n:8]):[n:7]):[c:9]>>[c:3](:[c:4])(:[c:6](:[c:5]:[n:8]):[n:7])-[I:10].[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13]	2	38796,46701
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[S:7]):[c:8]>>[n:1]:[c:2](-[N:3]):[c:8].[N:6]-[S:7].[C:4](=[O:5])(-[Cl:9])-[O:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	2	38807,45581
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+[C:1]-[C:10]=[C:5](-[C:3](-[N:2])=[O:4])-[C:6](=[O:7])-[N:8]-[C:9]>>[C:1]-[C:10]=[C:5](-[C:3](-[N:2])=[O:4])-[C:6](=[O:7])-[O:11].[N:8]-[C:9]	2	38814,41597
+[C:1]=[C:2]-[c:3]>>[C:2](-[c:3])=[O:8].[C:1]-[P+:13](-[c:12]:1:[c:6]:[c:7]:[c:9]:[c:10]:[c:11]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:5]:[c:4]:[c:23]:[c:22]:[c:21]:3	2	38840,49524
+[C:1](-[C:2])-[I:3]>>[C:1](-[C:2])-[O:4].[I:3]	2	38842,40448
+[n:1]:[c:2]:[c:3]-[O:4]-[c:5]:1:[n:6]:[c:7]:[n:8]:[c:9]:[c:10]:1>>[c:5]:1(:[n:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[Cl:11].[n:1]:[c:2]:[c:3]-[O:4]	2	38891,39268
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6](:[n:7]):[s:8]>>[c:1]-[S:2](=[O:3])(=[O:4])-[O:16]-[c:15]:1:[c:13](:[c:11](:[c:10](-[F:9]):[c:19](:[c:17]:1-[F:18])-[F:20])-[F:12])-[F:14].[N:5]-[c:6](:[n:7]):[s:8]	2	38892,40265
+[N:1]=[C:2](-[O:3]-[C:4])-[N:5]>>[O:3]-[C:4].[N:1]-[C:2]#[N:5]	2	38944,39204
+[c:1]-[C:2](-[O:3])-[C:4]-[N:5](-[C:6])-[C:7]>>[c:1]-[C:2](=[O:3])-[C:4]-[Br:8].[N:5](-[C:6])-[C:7]	2	38946,50527
+[N:1]-[C:2](-[N:3])=[N:4]-[c:5]>>[N:4]-[c:5].[N:1]#[C:2]-[N:3]	2	38952,41318
+[O:1]-[C:2]-[C:3]-[C:5](-[N:4])=[O:6]>>[O:1]=[C:2](-[C:3]-[C:5](-[N:4])=[O:6])-[O:9]-[C:8]-[C:7]	2	39000,54885
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+[n:1]:[c:2](:[c:3]):[n:11]:1:[c:5](:[c:4]):[n:6]:[c:7](-[C:8](=[O:9])-[O:12]):[c:10]:1>>[n:1]:[c:2](:[c:3]):[n:11]:[c:5](:[c:4])-[N:6].[C:7](-[C:8](=[O:9])-[O:12])(-[C:10]-[Br:14])=[O:13]	2	39081,44251
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[c:8]):[c:9]>>[N:5]-[c:6](:[n:7]):[c:8].[n:1]:[c:2](-[C:3](=[O:4])-[O:10]):[c:9]	2	39086,55641
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+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]):[c:6]:1>>[c:1]:1:[c:2](:[n:3]:[c:4](:[c:5]):[c:6]:1)-[C:9](-[O:7])=[O:8]	2	39106,51424
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]:[n:8]>>[c:1]:[c:2](:[c:7]:[n:8])-[I:9].[c:3](:[c:4])(:[c:6]:[n:5])-[B:11](-[O:10])-[O:12]	2	39112,46770
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+[O:1]=[C:2]-1-[N:3](-[C:4]-[c:5]:[c:7]:[n:6])-[N:8]=[C:9]-[N:10]-1>>[C:4](-[c:5]:[c:7]:[n:6])-[Cl:11].[O:1]=[C:2]-1-[N:3]-[N:8]=[C:9]-[N:10]-1	2	39238,39925
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[c:6]:[c:8]:[n:7]):[n:9]>>[C:4](=[O:5])(-[c:6]:[c:8]:[n:7])-[O:10].[n:1]:[c:2](-[N:3]):[n:9]	2	39240,49689
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+[C:1]-[N:2]-1-[O:3]-[C:4](=[O:5])-[N:6]-[C:7]-1=[O:8]>>[C:1]-[N:2]-[O:3].[C:4](=[O:5])(-[N:6]=[C:7]=[O:8])-[Cl:9]	2	39354,41452
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8]):[c:11]>>[c:1]:[c:2](:[c:11])-[B:14](-[O:13])-[O:15].[c:3]:1(:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[I:12]	2	39386,53409
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[o:9]:1>>[C:1]-[C:2](-[O:9]-[C:8]-[C:13](-[c:5](:[c:6]):[c:7])=[O:12])=[O:14].[N:3]-[C:4](-[C:10])=[O:11]	2	39395,44086
+[O:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:[c:7]:1-[c:8]>>[O:1]=[C:2]-1-[N+:3](=[C:4]-[C:5]=[C:6]-[C:7]-1-[c:8])-[O-:9]	2	39419,53640
+[n:1]:[c:2](-[N:3]-[C:4]-[c:5]):[n:6]>>[C:4](-[c:5])=[O:7].[n:1]:[c:2](-[N:3]):[n:6]	2	39439,43546
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[o:8]:1>>[c:5](:[c:6])(:[c:7])-[I:9].[c:1]:1:[c:2]:[n:3]:[c:4]:[o:8]:1	2	39511,50630
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7]>>[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7].[C:1]-[C:2]-[O:17]-[S:14](-[c:13]:1:[c:12]:[c:11]:[c:10](-[C:9]):[c:19]:[c:18]:1)(=[O:15])=[O:16]	2	39547,43889
+[c:1]:1:[c:2]:[n:3]:[c:4](-[C:5]):[n:6]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:6]:1)-[Br:7].[C:5]-[B:14]-1-[O:13]-[B:11](-[O:10]-[B:9](-[C:8])-[O:15]-1)-[C:12]	2	39561,43627
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]-[C:7]-[C:8](=[O:9])-[O:10]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]=[C:7]-[C:8](=[O:9])-[O:10]	2	39571,39833
+[N:1]-[C:2]-[c:3]:1:[c:4](-[c:5]):[n:6]:[c:7](-[c:8]):[n:9]:[c:10]:1-[N:11]>>[N:6]=[C:7](-[c:8])-[N:9].[N:1]#[C:2]-[C:3](=[C:4]-[c:5])-[C:10]#[N:11]	2	39616,41235
+[O:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[c:10]:1-[c:11]>>[O:1]=[C:2](-[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[O:13]-[C:12])-[C:10]-[c:11]	2	39636,50448
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:8]-[S:5](-[C:4])(=[O:6])=[O:7].[N:1]	2	39722,40699
+[c:1]:1:[c:2]:[c:4](:[c:3]):[n:5]:[n:6]:1-[C:7]-[c:8]>>[c:1]:1:[c:2]:[c:4](:[c:3]):[n:5]:[n:6]:1.[C:7](-[c:8])-[Br:9]	2	39725,51418
+[O:1]=[C:2](-[N:3]-[C:4]-[C:5](=[O:6])-[N:7])-[c:8]:[c:9]:[n:10]>>[N:3]-[C:4]-[C:5](=[O:6])-[N:7].[O:1]=[C:2](-[c:8]:[c:9]:[n:10])-[O:11]	2	39743,41602
+[c:1]:[c:2](-[c:3]:1:[c:4](:[c:5]):[n:6]:[n:7]:[c:8]:1):[c:9]>>[c:3]:1(:[c:4](:[c:5]):[n:6]:[n:7]:[c:8]:1)-[Br:10].[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13]	2	39799,46665
+[C:1]#[C:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[I:9].[C:1]#[C:2]	2	39848,40627
+[c:1](:[n:2]):[c:4](:[c:3])-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]>>[c:1](:[n:2]):[c:4](:[c:3])-[B:10](-[O:11])-[O:13].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Br:12]	2	39890,46764
+[C:1]-[c:2](:[c:3]:[n:4]):[c:5]>>[c:2](:[c:3]:[n:4])(:[c:5])-[Br:6].[C:1]-[B:13]-1-[O:12]-[B:10](-[O:9]-[B:8](-[C:7])-[O:14]-1)-[C:11]	2	39938,43631
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+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](:[n:9]:1)-[O:10]>>[C:1]-[C:2](=[O:11])-[O:12].[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](-[N:9])=[O:10]	2	40018,40019
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+[n:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5]:1:[n:6]:[c:7](-[C:8]):[n:9]:[c:10]:2-[O:11]>>[C:7](-[C:8])(-[O:14]-[C:13]-[C:12])=[O:15].[n:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:1-[N:6])-[C:10](-[N:9])=[O:11]	2	40084,40113
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[c:6]:[c:7]:[n:8]:1):[c:9]>>[c:4]:1(:[n:5]:[c:6]:[c:7]:[n:8]:1)-[Br:13].[n:1]:[c:2]:[c:3](:[c:9])-[B:11](-[O:10])-[O:12]	2	40095,48245
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+[C:1](-[c:2](:[n:3]):[c:4])(=[O:5])-[N:7](-[O:6])-[C:8]>>[C:1](-[c:2](:[n:3]):[c:4])(-[O:5])=[O:9].[O:6]-[N:7]-[C:8]	2	40162,41551
+[C:1]-[C:2](-[C:3](=[C:4](-[Br:5])-[C:6])-[N:7])-[N:8](-[C:9]=[O:10])-[C:11]=[O:12]>>[C:1]-[C:2](-[C:3](=[C:4](-[Br:5])-[C:6])-[N:7])-[O:13].[N:8](-[C:9]=[O:10])-[C:11]=[O:12]	2	40218,46833
+[C:1](=[O:2])(-[N:3]-[c:4](:[c:5]):[o:6])-[O:7]>>[N:3]-[c:4](:[c:5]):[o:6].[C:1](=[O:2])(-[O:7])-[Cl:8]	2	40223,42563
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5]-1):[c:6]>>[C:3]-1(-[C:4]-[C:5]-1)-[B-:9](-[F:8])(-[F:10])-[F:11].[c:1]:[c:2](:[c:6])-[Br:7]	2	40245,40246
+[c:1]:[c:2](-[F:3]):[c:4]>>[F:3]-[B-:7](-[F:6])(-[F:8])-[F:9].[c:1]:[c:2](:[c:4])-[N:5]	2	40253,40254
+[S:1]=[C:2](-[c:3](:[c:4]:[n:5]):[n:6])-[N:7]>>[C:2](-[c:3](:[c:4]:[n:5]):[n:6])#[N:7].[S:1]	2	40262,47372
+[c:1]:1:[n:2]:[c:3](-[n:4]:2:[n:5]:[c:6]:[c:7]:[c:9]:2:[c:8]):[n:10]:[c:11]:[c:12]:1>>[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[c:8].[c:1]:1:[n:2]:[c:3](:[n:10]:[c:11]:[c:12]:1)-[Cl:13]	2	40285,42789
+[c:1]-[C:2](=[O:3])-[C:4]=[O:5]>>[c:1]-[C:2](-[O:3])-[C:4]=[O:5]	2	40309,40310
+[N:1]-[C:2](=[O:3])-[N:4]-[C:5]=[O:6]>>[N:1]-[C:2](=[O:3])-[N:4](-[C:5]=[O:6])-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:17]:[c:14]:1-[O:15]-[C:16]	2	40338,53100
+[N:1]-[C:2](=[O:3])-[C:4]-[I:5]>>[I:5].[N:1]-[C:2](=[O:3])-[C:4]-[Cl:6]	2	40449,40483
+[n:1]:1:[c:2](-[I:3]):[c:4]:[c:5]:[c:6]:1>>[I:3]-[I:7].[n:1]:1:[c:2]:[c:4]:[c:5]:[c:6]:1	2	40507,40555
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+[C:1]#[C:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[I:9].[C:1]#[C:2]	2	40620,53504
+[c:1]:1:[c:2]:2:[c:3]:[n:4]:[n:5](-[c:6]):[c:7]:2:[n:8]:[c:9]:[c:10]:1>>[c:1]:1:[c:2](-[C:3]=[O:11]):[c:7](:[n:8]:[c:9]:[c:10]:1)-[F:12].[N:4]-[N:5]-[c:6]	2	40624,40625
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1-[C:6]-[C:7]>>[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1.[C:6](-[C:7])-[O:16]-[S:13](-[c:12]:1:[c:11]:[c:10]:[c:9](-[C:8]):[c:18]:[c:17]:1)(=[O:14])=[O:15]	2	40630,55448
+[O:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[C:6](-[C:7])(-[C:8])-[N:9]-1>>[N:3]#[C:4].[N:9].[O:1]=[C:2](-[O:10])-[O:11].[O:5]=[C:6](-[C:7])-[C:8]	2	40641,40644
+[N:1]-[C:2](-[c:3](:[c:4]):[n:5])=[O:6]>>[N:1].[C:2](-[c:3](:[c:4]):[n:5])(-[O:6])=[O:7]	2	40692,40783
+[c:1]:[c:2](-[S:3](-[N:4])(=[O:5])=[O:6]):[c:7]>>[N:4].[S:3](-[O:5])(=[O:6])(=[O:8])-[Cl:9].[c:1]:[c:2]:[c:7]	2	40697,40698
+[c:1]-[c:2]:1:[c:3]:[o:4]:[c:5]:[n:6]:1>>[N:6].[O:4]-[C:5]=[O:9].[c:1]-[C:2](-[C:3]-[Br:8])=[O:7]	2	40723,40724
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5]>>[N:5].[C:1]-[N:2]=[C:3]=[S:4]	2	40729,40891
+[S:1]=[C:2](-[N:3]-[C:4](=[O:5])-[c:6](:[c:7]):[n:8])-[N:9]>>[N:3].[S:1]-[C:2]#[N:9].[C:4](=[O:5])(-[c:6](:[c:7]):[n:8])-[O:10]	2	40730,40731
+[O:1]=[C:2]-1-[N:3]-[C:4]-[c:5]:[c:6]-1>>[N:3].[O:1]=[C:2](-[c:6]:[c:5]-[C:4]-[Br:9])-[O:8]-[C:7]	2	40743,40762
+[c:1]:[c:2](-[N:3]):[c:4]>>[N:3].[c:1]:[c:2](:[c:4])-[O:5]	2	40758,40798
+[c:1]:[c:2](:[n:3]:[c:4](-[N:5]):[c:6]):[c:7]>>[N:5].[c:1]:[c:2](:[n:3]:[c:4](:[c:6])-[Cl:8]):[c:7]	2	40760,40761
+[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[N:7]>>[N:1].[C:2](=[O:3])(-[C:4]-[C:5](=[O:6])-[N:7])-[O:9]-[C:8]	2	40807,40907
+[N:1]=[C:2](-[C:3])-[N:4]>>[N:4].[N:1]#[C:2]-[C:3]	2	40855,40942
+[C:1]-[C:4]-1=[C:3](-[C:2])-[C:9](-[N:8]-[C:6](-[N:5]-1)=[O:7])=[O:10]>>[N:5].[C:1]-[C:4]-1=[C:3](-[C:2])-[C:9](-[N:8]-[C:6](=[O:7])-[O:11]-1)=[O:10]	2	40860,40872
+[c:1]-[C:2](-[N:3])=[N:4]>>[N:4].[c:1]-[C:2]#[N:3]	2	40871,40875
+[N:1]-[C:2](-[C:3])-[c:4]>>[N:1]#[C:7]-[B:6].[C:2](-[C:3])(-[c:4])=[O:5]	2	41190,41191
+[c:1]:1:[n:2]:[n:3]:2:[c:4](-[N:5]):[n:6]:[n:7]:[c:8]:2:[c:9]:[c:10]:1>>[C:4](#[N:5])-[Br:11].[c:1]:1:[n:2]:[n:3]:[c:8](-[N:7]-[N:6]):[c:9]:[c:10]:1	2	41196,41207
+[N:1]-[C:2]-1=[N:3]-[C:4]-[C:5]-[O:6]-1>>[N:1]#[C:2]-[Br:7].[N:3]-[C:4]-[C:5]-[O:6]	2	41198,41204
+[N:1]=[C:2]-1-[N:3]-[C:4]-[C:5]-[O:6]-1>>[N:1]#[C:2]-[Br:7].[N:3]-[C:4]-[C:5]-[O:6]	2	41201,41203
+[N:1]#[C:2]-[c:3]:1:[c:4](-[N:5]):[n:6]:[n:7]:[c:8]:1-[N:9]>>[N:1]#[C:2]-[C:3](-[C:4]#[N:5])=[C:8](-[N:9])-[S:11]-[C:10].[N:6]-[N:7]	2	41230,41231
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](:[n:7]:[n+:8]:1-[O-:9])-[N:10]>>[C:6](-[N:7])#[N:10].[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N+:8](-[O-:9])=[O:11]	2	41317,41320
+[N:1]-[C:2](=[O:3])-[c:4]:[c:6]:[n:5]>>[N:1]#[C:2]-[c:4]:[c:6]:[n:5].[O:3]=[S:8](=[O:7])(-[O:9])-[O:10]	2	41353,45796
+[n:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[n:6]:[n:7]:1):[c:8]>>[N-:4]=[N+:6]=[N-:5].[n:1]:[c:2](-[C:3]#[N:7]):[c:8]	2	41359,47911
+[c:1]-[n:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[c:1]-[N:2]=[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[N+:8](=[O:9])-[O-:10]	2	41421,56026
+[N:1]-1-[c:2]:[c:3](-[C:4](=[O:5])-[C:8]-1=[O:7]):[c:6]>>[N:1](-[c:2]:[c:3]:[c:6])-[C:8](-[C:4]=[N:13]-[O:12])=[O:7].[O:5]-[S:9](=[O:10])(-[O:11])=[O:14]	2	41437,41447
+[c:1]:[c:2](:[n:3]:[c:4](-[c:5](:[c:6]):[c:8]:[n:7]):[c:9]):[c:10]>>[c:1]:[c:2](:[n:3]:[c:4](:[c:9])-[Cl:11]):[c:10].[c:5](:[c:6])(:[c:8]:[n:7])-[B:13](-[O:12])-[O:14]	2	41485,44293
+[O:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]):[s:8]>>[O:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6](:[c:7]):[s:8])-[O:9]	2	41501,41548
+[N:1]-1-[C:2](=[O:3])-[C:4](-[Cl:5])=[C:6](-[O:7])-[C:8]=[C:9]-1>>[N:1]-1-[C:2](=[O:3])-[C:4]=[C:6](-[O:7])-[C:8]=[C:9]-1.[Cl:5]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15]	2	41573,44327
+[c:1]:[c:2]:1:[s:3]:[c:4](-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]):[c:10]:[c:11]:1:[n:12]>>[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Br:13].[c:1]:[c:2]:1:[s:3]:[c:4]:[c:10]:[c:11]:1:[n:12]	2	41609,50279
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[c:5]:[n:6]:3:[c:7](-[S:8]-[c:9](:[c:10]):[c:11]):[n:12]:[n:13]:[c:14]:3:[c:15](-[F:16]):[c:17]:2):[c:18]:[n:19]:1>>[n:1]:1:[c:2]:[c:3](-[C:4]-2=[C:5]-[N:6]-3-[C:7](=[S:8])-[N:12]-[N:13]=[C:14]-3-[C:15](-[F:16])=[C:17]-2):[c:18]:[n:19]:1.[c:9](:[c:10])(:[c:11])-[Br:20]	2	41654,41655
+[N:1](-[C:2]-[c:3])-[C:4]=[O:5]>>[N:1](-[C:2](-[c:3])-[O:6])-[C:4]=[O:5]	2	41672,56025
+[O:1]-[C:2]=[C:3]-1-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]-1>>[C:3]-1-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]-1.[O:1]-[C:2](-[O:12]-[C:11]-[C:10])-[O:13]-[C:14](-[C:15])=[O:16]	2	41693,43417
+[N:1]-1-[N:2]=[C:3]-[C:4](-[C:5](=[O:6])-[c:7])-[C:8]-1=[O:9]>>[N:1]-1-[N:2]=[C:3]-[C:4]-[C:8]-1=[O:9].[C:5](=[O:6])(-[c:7])-[Cl:10]	2	41710,41712
+[c:1]:1:[c:2]:[s:3]:[c:4](-[N:5]-[C:6]):[n:7]:1>>[N:5]-[C:6].[c:1]:1:[c:2]:[s:3]:[c:4](:[n:7]:1)-[Cl:8]	2	41797,46102
+[C:1]-[N:2]-[C:3]-[C:4]-[C:5](=[O:6])-[N:7]>>[C:1]-[N:2].[C:3](-[C:4]-[C:5](=[O:6])-[N:7])-[Cl:8]	2	41956,50244
+[c:1]:1(:[n:2]:[c:3](-[c:4]:[c:5]:[n:6]):[n:7]:[c:8](:[c:9]):[c:11]:1:[c:10])-[O:12]>>[C:1](-[N:2])(-[c:11](:[c:8](-[N:7]-[C:3](-[c:4]:[c:5]:[n:6])=[O:13]):[c:9]):[c:10])=[O:12]	2	41979,50370
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[s:7]:1>>[N:1]-[C:2](-[N:3]-[N:4]-[C:5](-[c:6])=[O:8])=[S:7]	2	41985,41986
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](:[n:6]:[c:7]:1-[O:8])-[N:10]-[N+:9]>>[N:4]-[C:5](-[N:6])=[N:10]-[N+:9].[C:1]-[C:2](-[C:3]=[O:14])-[C:7](=[O:8])-[O:13]-[C:12]-[C:11]	2	42027,42028
+[c:1]-[C:2]-1-[N:3]-[C:4](=[O:5])-[N:6]-[C:7](-[c:8])=[C:9]-1-[c:10]>>[N:3]-[C:4](=[O:5])-[N:6].[c:1]-[C:2]=[O:12].[C:7](-[c:8])(-[C:9]-[c:10])=[O:11]	2	42036,42037
+[O:1]=[C:2]-1-[N:3]-[c:4]:[c:5]-[N:6]-1-[C:7]>>[O:1]=[C:2](-[N:8])-[N:9].[N:3]-[c:4]:[c:5]-[N:6]-[C:7]	2	42039,42040
+[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[c:6]):[n:7]:[n:8]:1>>[N:7]-[N:8].[O:1]=[C:2](-[C:3]=[O:10])-[O:11].[C:4]-[C:5](-[c:6])=[O:9]	2	42164,42166
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6]):[c:8]:1:[c:7]>>[N:3]-[N:4].[C:1]-[C:2](-[c:8](:[c:5](:[c:6])-[F:10]):[c:7])=[O:9]	2	42220,42221
+[N:1]-1-[C:2]=[C:3]-[c:4]:2:[c:5](-[C:6]-1=[O:7]):[c:8](-[N:9]):[n:10]:[n:11]:2>>[N:10]-[N:11].[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5](-[C:6]-1=[O:7])-[C:8]#[N:9])-[Cl:12]	2	42232,42240
+[c:1]:1:[n:2]:[n:3]:[c:4](-[N:5]-[N:6]):[n:7]:[c:8]:1>>[N:5]-[N:6].[c:1]:1:[n:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[Cl:9]	2	42248,42316
+[O:1]=[C:2](-[c:3]:1:[c:4]:[c:5](-[c:6]):[n:7]:[n:8]:1)-[O:9]>>[N:7]-[N:8].[O:1]=[C:2](-[C:3](-[C:4]-[C:5](-[c:6])=[O:11])=[O:10])-[O:9]	2	42278,42288
+[C:1]-[c:2]:1:[n:3]:[n:4](-[C:5]):[c:6](-[N:7]):[c:8]:1-[c:9]>>[N:3]-[N:4]-[C:5].[C:1]-[C:2](-[C:8](-[C:6]#[N:7])-[c:9])=[O:10]	2	42327,42328
+[O:1]=[C:2]-1-[C:3]-[C:4](-[c:5])=[N:6]-[N:7]-1-[C:8]>>[N:6]-[N:7]-[C:8].[O:1]=[C:2](-[C:3]-[C:4](-[c:5])=[O:12])-[O:11]-[C:10]-[C:9]	2	42329,42334
+[O:1]=[C:2](-[C:3])-[N:4]-[N:5]=[C:6](-[C:7](=[O:8])-[N:9])-[c:10]>>[O:1]=[C:2](-[C:3])-[N:4]-[N:5].[C:6](-[C:7](=[O:8])-[N:9])(-[c:10])=[O:11]	2	42343,51668
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[n:6]:[c:7]:[c:8]:1-[O:9]>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[C:8](-[C:7])=[O:9].[N:6](=[O:10])-[O:11]	2	42385,42386
+[c:1]-[C:2](=[O:3])-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1>>[c:1]-[C:2](=[O:3])-[O:16].[n:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:1)-[C:10](=[O:9])-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	2	42419,53625
+[c:1](:[n:2]):[c:3]-[c:4]:1:[n:5]:[c:6](:[c:7](:[c:8]):[n:10]:1):[c:9]>>[N:5]-[c:6](:[c:7](:[c:8])-[N:10]):[c:9].[c:1](:[n:2]):[c:3]-[C:4](=[O:11])-[O:12]	2	42451,48548
+[n:1]:[c:2]:[c:3](:[c:4]:[n:5])-[N:6]-[C:7](-[c:8])=[O:9]>>[n:1]:[c:2]:[c:3](:[c:4]:[n:5])-[N:6].[C:7](-[c:8])(=[O:9])-[O:10]	2	42461,48848
+[c:1]-[C:2]>>[c:1]-[C:2]-[C:4](=[O:3])-[O:5]	2	42463,50597
+[n:1]:1:[c:2]:2:[c:3](:[c:4]:[c:5]:[n:6]:[c:7]:2):[c:8]:3:[c:9]:1:[n:10]:[c:11]:[c:12]:[c:13]:3>>[N:1]-[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:[c:7]:1)-[c:8]:2:[c:9](:[n:10]:[c:11]:[c:12]:[c:13]:2)-[F:14]	2	42470,57228
+[c:1]-[N:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7](-[c:8](:[c:9]):[c:10]):[n:11]:1>>[c:1]-[N:2].[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:7](:[n:11]:1)-[Cl:12])-[c:8](:[c:9]):[c:10]	2	42495,42595
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:[c:7]:1:[c:8]>>[c:1]:[c:2](-[N:3]):[c:7]:[c:8].[c:4]:1:[c:5]:[c:6]:[c:14](:[c:13]:[c:12]:1-[N+:10](=[O:9])-[O-:11])-[S:15](=[O:16])(=[O:17])-[O:18]	2	42513,46153
+[N:1]-1-[C:2](=[O:3])-[c:4]:2:[c:5](-[c:6]):[n:7](-[c:8]):[c:9]:[c:10]:2-[N:11]-[C:12]-1=[O:13]>>[N:7]-[c:8].[N:1]-1-[C:2](=[O:3])-[C:4](-[C:5](-[c:6])=[O:14])=[C:10](-[C:9]-[Br:15])-[N:11]-[C:12]-1=[O:13]	2	42518,55710
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4]-[c:5].[c:1]-[C:2](-[O:3])=[O:6]	2	42559,44307
+[C:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:6].[C:1]-[C:2]-[B:8](-[O:7])-[O:9]	2	42569,46390
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]:[c:7]:[s:8]>>[c:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[c:6]:[c:7]:[s:8])-[Cl:9]	2	42585,45959
+[c:1]:[c:2]:1:[c:3](-[O:4]):[n:5]:[c:6]:[n:7]:[c:8]:1:[c:9]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:11]-[C:10]):[c:8](-[N:7]):[c:9].[N:5]-[C:6]=[O:12]	2	42600,44607
+[c:1](:[n:2]):[c:4](:[c:3])-[O:5]>>[c:1](:[n:2]):[c:4](:[c:3])-[N:6].[O:5]	2	42638,42887
+[C:1](-[C:2])(-[N:3]-[c:4]:[c:5]:[s:6])=[O:7]>>[N:3]-[c:4]:[c:5]:[s:6].[C:1](-[C:2])(=[O:7])-[O:8]	2	42749,48698
+[c:1]:[c:2](-[N:3]-[c:4](:[c:5]):[n:8]:[c:7]:[c:6]):[n:9]>>[c:1]:[c:2](-[N:3]):[n:9].[c:4](:[c:5])(:[n:8]:[c:7]:[c:6])-[F:10]	2	42761,42766
+[C:1]=[N:2]-[O:3]-[C:4]-[c:5](:[c:6]:[s:7]):[n:8]>>[C:4](-[c:5](:[c:6]:[s:7]):[n:8])-[Cl:9].[C:1]=[N:2]-[O:3]	2	42782,42783
+[c:1](:[c:2]-[S:3](=[O:4])(=[O:5])-[N:6]-[c:7](:[c:8]):[o:9]):[s:10]>>[N:6]-[c:7](:[c:8]):[o:9].[c:1](:[c:2]-[S:3](=[O:4])(=[O:5])-[Cl:11]):[s:10]	2	42851,42852
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:6]>>[O:5].[O:6].[n:1]:[c:2]:[c:3]-[C:4]#[N:7]	2	42870,42875
+[C:1](-[C:2](-[O:3])-[C:4])-[O:5]>>[O:3]=[Os:7](=[O:6])(=[O:8])=[O:9].[O:5].[C:1]=[C:2]-[C:4]	2	42912,42913
+[c:1](:[c:3]:[n:2])-[C:5](=[O:4])-[O:6]>>[O:4].[O:6]-[C:10]-[C:9]-[O:8].[c:1](:[c:3]:[n:2])-[C:5]#[N:7]	2	42916,42917
+[c:1]-[C:2](=[O:3])-[O:4]>>[O:3].[O:4]-[C:8]-[C:7]-[O:6].[c:1]-[C:2]#[N:5]	2	42918,42920
+[c:1]-[S:2](=[O:3])-[C:4]>>[O:3].[c:1]-[S:2]-[C:4]	2	42937,43003
+[c:1]-[C:2]-[C:3]-[O:4]>>[O:4].[c:1]-[C:2]=[C:3]	2	42947,42984
+[O:1]-[c:2](:[c:3]):[c:4]>>[O:1].[c:2](:[c:3])(:[c:4])-[I:5]	2	42951,42952
+[C:1]-[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]-[C:2](-[C:3](=[O:4])-[O:5])-[C:9](-[O:8]-[C:7]-[C:6])=[O:10]	2	43020,43347
+[c:1]-[O:6]-[C:4](-[O:3]-[C:2])-[C:5]>>[C:4](-[C:5])(-[O:8]-[C:7])-[O:9]-[C:10].[c:1]-[O:6].[C:2]-[O:3]	2	43131,43132
+[n:1]:1:[c:2]:[c:3]:[c:4]:2-[C:5]-3-[C:6](=[O:7])-[N:8]-[C:9](=[O:10])-[C:11]-3-[C:12](-[c:13])-[C:14]-[c:15]:1:2>>[C:5]=1-[C:6](=[O:7])-[N:8]-[C:9](=[O:10])-[C:11]=1.[n:1]:1:[c:2]:[c:3]:[c:4]:[c:15]:1-[C:14]=[C:12]-[c:13]	2	43234,44318
+[c:1](:[c:2]-[C:3](=[O:4])-[O:5])-[N:6]>>[O:5]-[C:8](-[C:7])=[O:9].[c:1]-1:[c:2]-[C:3](=[O:4])-[C:11](-[N:6]-1)=[O:10]	2	43298,44145
+[c:1]:1:[n:2]:[c:3](-[c:4]:2:[c:5]:[n:6]:[c:7](:[c:8]):[n:11]:2:[c:10]:[c:9]):[n:12]:[c:13]:[c:14]:1>>[c:1]:1:[n:2]:[c:3](:[n:12]:[c:13]:[c:14]:1)-[Cl:15].[c:4]:1:[c:5]:[n:6]:[c:7](:[c:8]):[n:11]:1:[c:10]:[c:9]	2	43302,43303
+[O:1]=[C:2](-[O:3])-[C:4]-[C:5]-[c:6]:[c:7]:[n:8]>>[O:1]=[C:2](-[O:3])-[C:4]=[C:5]-[c:6]:[c:7]:[n:8]	2	43381,43389
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[C:1]-[C:2](-[O:11]-[C:10]-[C:9])(-[O:12]-[C:13]-[C:14])-[O:15]-[C:16]-[C:17].[N:3]-[c:4](:[c:5](:[c:6])-[O:8]):[c:7]	2	43395,43400
+[C:1](-[C:4]-[C:2](=[O:3])-[O:5])=[O:6]>>[C:2](=[O:3])(-[O:5])-[O:9]-[C:8]-[C:7].[C:1](-[C:4])=[O:6]	2	43404,43409
+[c:1]-[C:2](-[C:3](=[O:4])-[O:5])-[C:6]#[N:7]>>[C:3](=[O:4])(-[O:5])-[O:8]-[C:10]-[C:9].[c:1]-[C:2]-[C:6]#[N:7]	2	43405,43410
+[O:1]=[C:2](-[C:3](-[C:4](-[C:5])=[O:8])-[c:6])-[O:7]>>[O:1]=[C:2](-[O:7])-[O:11]-[C:10]-[C:9].[C:3](-[C:4](-[C:5])=[O:8])-[c:6]	2	43406,43408
+[C:1]-[C:2](=[O:3])-[S:4]-[C:5]-[C:6]>>[C:5](-[C:6])-[Cl:7].[C:1]-[C:2](-[O:3])=[S:4]	2	43501,46821
+[c:1](-[C:2]-[N:3]-[c:4](:[n:5]):[c:6]):[c:7]:[n:8]>>[c:1](-[C:2]=[O:9]):[c:7]:[n:8].[N:3]-[c:4](:[n:5]):[c:6]	2	43538,43555
+[O:1]=[S:2](=[O:3])(-[N:4]-[c:5](:[n:6]):[c:7])-[c:8]:[c:10]:[n:9]>>[N:4]-[c:5](:[n:6]):[c:7].[O:1]=[S:2](=[O:3])(-[c:8]:[c:10]:[n:9])-[Cl:11]	2	43565,43566
+[O:1]=[C:2]-1-[C:3](-[O:4])=[C:5]-[C:6]=[C:7]-[N:8]-1-[C:9]-[c:10]>>[O:1]-[c:2]:1:[c:3](-[O:4]):[c:5]:[c:6]:[c:7]:[n:8]:1.[C:9](-[c:10])-[Br:11]	2	43603,43605
+[c:1]:[c:2]:1:[n:3]:[n:4](-[C:5](-[C:6]-[C:7])-[O:8]):[c:9]:[c:10]:1>>[C:5](=[C:6]-[C:7])-[O:8].[c:1]:[c:2]:1:[n:3]:[n:4]:[c:9]:[c:10]:1	2	43739,43753
+[c:1]-[C:2](=[O:3])-[c:4]>>[c:1]-[C:2]-1(-[O:3]-[C:7]-[C:6]-[O:5]-1)-[c:4]	2	43796,52282
+[O:1]=[C:2](-[C:3]-1=[N:4]-[N:5](-[c:6])-[C:7](-[c:8])-[C:9]-1)-[O:10]>>[O:1]=[C:2](-[C:3](-[C:9]=[C:7]-[c:8])=[O:11])-[O:10].[N:4]-[N:5]-[c:6]	2	43910,50935
+[c:1]-[n:2]:1:[c:3](-[c:4]):[n:5]:[c:6](-[C:7](=[O:8])-[O:11]):[c:9]:1-[C:10]>>[C:6](-[C:7](=[O:8])-[O:11])(-[C:9](-[C:10])-[Br:13])=[O:12].[c:1]-[N:2]=[C:3](-[c:4])-[N:5]	2	43917,43918
+[C:1](-[C:2](-[N:3]-[C:4])=[O:8])-[C:5](-[C:6])=[O:7]>>[C:1](-[C:2](=[O:8])-[O:9])-[C:5](-[C:6])=[O:7].[N:3]-[C:4]	2	43919,48522
+[N:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[O:6])-[C:7](=[O:8])-[N:9]-[C:10]-1>>[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[C:29](-[O:28]-[C:27])=[O:30].[C:7]-1(=[O:8])-[N:9]-[C:10]-[C:24](-[C:22](-[N:12](-[C:11])-[C:13]-[c:14]:2:[c:15]:[c:16]:[c:17](-[Cl:18]):[c:19](-[Cl:20]):[c:21]:2)=[O:23])=[C:25]-1-[O:26]	2	43925,46888
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[n:6](-[c:7](:[c:8]):[n:9]):[c:10](-[c:11](:[n:12]):[c:13]):[c:14]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:14]-[C:10](-[c:11](:[n:12]):[c:13])=[O:16])=[O:15].[N:5]-[N:6]-[c:7](:[c:8]):[n:9]	2	43928,44266
+[C:1](-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2:[n:10]:1)(=[O:11])-[O:12]>>[C:1](-[C:2](=[C:3]-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1-[N+:10](=[O:13])-[O-:14])-[O:15])(=[O:11])-[O:12]	2	43934,56307
+[C:1](-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])-[C:8](=[O:9])-[O:10]>>[C:1](-[N:2])-[C:8](=[O:9])-[O:10].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:11]	2	43935,44067
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[N:3]-[C:4](-[C:5])=[N:6]-[O:7].[C:1]-[C:2](=[O:8])-[Cl:9]	2	43942,44018
+[C:1](=[O:2])(-[C:3]-[O:4]-[C:6](-[C:5])=[O:7])-[O:8]>>[C:5]-[C:6](=[O:7])-[Cl:9].[C:1](=[O:2])(-[C:3]-[O:4])-[O:8]	2	43949,44005
+[C:1]-[C:2](-[c:3](:[c:4]):[c:7]:[c:6]:[n:5])=[O:8]>>[C:1]-[C:2](=[O:8])-[Cl:9].[c:3](:[c:4]):[c:7]:[c:6]:[n:5]	2	43966,44022
+[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[N:6]-[c:7]>>[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[O:8].[N:6]-[c:7]	2	44168,46270
+[C:1]-[O:2]-[N:3]=[C:4]>>[C:1]-[O:10]-[S:7](-[O:6]-[C:5])(=[O:8])=[O:9].[O:2]-[N:3]=[C:4]	2	44215,45827
+[c:1]:1:[n:2]:[n:3]:[c:4]:2:[c:5]:1:[c:6](-[O:7]):[c:8](:[c:9]:[n:10]:2)-[C:12](=[O:11])-[O:13]>>[c:1]:1:[n:2]:[n:3]:[c:4](:[c:5]:1)-[N:10]-[C:9]=[C:8](-[C:6](=[O:7])-[O:16]-[C:15]-[C:14])-[C:12](=[O:11])-[O:13]	2	44235,44237
+[C:1](-[C:2](=[O:3])-[O:4])-[C:5]=[O:6]>>[C:1](-[C:2](=[O:3])-[O:4])(-[C:5]=[O:6])-[C:10](-[O:9]-[C:8]-[C:7])=[O:11]	2	44239,44240
+[C:1](=[O:2])-[C:3]-[C:4](-[N:5]-[C:6](-[C:7])=[O:8])(-[C:9](=[O:10])-[O:11])-[C:12](=[O:13])-[O:14]>>[C:4](-[N:5]-[C:6](-[C:7])=[O:8])(-[C:9](=[O:10])-[O:11])-[C:12](=[O:13])-[O:14].[C:1](=[O:2])-[C:3]-[Cl:15]	2	44242,44243
+[C:1]-[c:2](:[c:3]):[n:4]>>[C:1](-[c:2](:[c:3]):[n:4])(-[C:8](-[O:7]-[C:6]-[C:5])=[O:9])-[C:10](=[O:11])-[O:12]-[C:13]-[C:14]	2	44244,44246
+[C:1](=[O:2])(-[c:3]:1:[n:4]:[n:5](-[c:6]):[c:7](-[C:8]):[c:9]:1)-[O:10]>>[C:1](=[O:2])(-[C:3](-[C:9]-[C:7](-[C:8])=[O:12])=[O:11])-[O:10].[N:4]-[N:5]-[c:6]	2	44262,44263
+[C:1](-[C:2])(-[C:3]=[O:4])-[Cl:5]>>[Cl:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[C:1](-[C:2])-[C:3]=[O:4]	2	44357,44376
+[n:1]:[c:2]:[c:3]:1:[c:4](-[I:5]):[n:6]:[n:7]:[c:8]:1:[n:9]>>[I:5]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[n:1]:[c:2]:[c:3]:1:[c:4]:[n:6]:[n:7]:[c:8]:1:[n:9]	2	44395,44409
+[n:1]:[n:2]:1:[c:3](:[c:4]:[n:5]:[c:6]:1)-[I:7]>>[I:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[n:1]:[n:2]:1:[c:3]:[c:4]:[n:5]:[c:6]:1	2	44396,44436
+[c:1]-[C:2](=[O:3])-[O:4]-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11]>>[c:1]-[C:2](=[O:3])-[O:19].[O:4](-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11])-[C:15](-[N:13](-[C:12])-[C:14])=[N+:16](-[C:17])-[C:18]	2	44448,44449
+[n:1]:1:[c:2](:[c:3]):[c:5](:[c:4]):[c:6](:[c:7]:1-[C:8])-[C:10](-[C:9])=[O:11]>>[C:6](-[C:7](-[C:8])=[O:13])-[C:10](-[C:9])=[O:11].[N:1](-[c:2](:[c:3]):[c:5]:[c:4])-[N:12]	2	44455,44456
+[c:1](-[C:2]=[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]):[c:10]:[n:11]>>[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9].[c:1](-[C:2]=[O:12]):[c:10]:[n:11]	2	44485,44498
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6])-[C:7](-[C:8](=[O:9])-[O:10])-[C:12](-[O:11])=[O:13]):[c:14]:1>>[C:7](-[C:8](=[O:9])-[O:10])-[C:12](-[O:11])=[O:13].[C:5](-[c:6])=[O:15].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:14]:1	2	44505,44506
+[O:1]=[C:2](-[O:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[O:1]=[C:2]-1-[O:3]-[C:10](-[C:9])(-[C:11])-[O:12]-[C:5](-[C:4]-1)=[O:6].[N:7]-[c:8]	2	44507,44508
+[c:1]-[C:2]-[C:3]-[N:4](-[C:6]=[O:5])-[C:7]=[O:8]>>[c:1]-[C:2]=[C:3]-[N:4](-[C:6]=[O:5])-[C:7]=[O:8]	2	44545,54302
+[n:1]:[c:2](-[N:3]-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8](:[c:9]:1:[s:10]):[n:11]):[c:12]>>[n:1]:[c:2](-[N:3]):[c:12].[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8](:[c:9]:1:[s:10]):[n:11])-[Br:13]	2	44553,46995
+[C:1]-[N:2]=[C:3](-[c:4])-[c:5]>>[C:1]-[N:2]-1-[C:7](=[O:6])-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2-[C:14]-1=[O:15].[C:3](-[c:4])(-[c:5])=[O:16]	2	44554,51367
+[c:1]:[c:2](-[C:3](-[N:4]-[c:5])-[C:6](=[O:7])-[O:8]):[c:9]>>[C:3](-[C:6](=[O:7])-[O:8])=[O:10].[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13].[N:4]-[c:5]	2	44577,44578
+[C:1]-[C:2]=[C:3]-[C:4](=[C:5]-[C:6])-[Se:7]>>[C:3](-[C:4](=[C:5]-[C:6])-[Se:7])=[O:8].[C:1]-[C:2]-[P+:13](-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:27]:[c:26]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	2	44580,53052
+[c:1]:[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6](:[c:7]:1:[c:8])-[O:9]>>[C:4](-[N:5])=[O:11].[c:1]:[c:2](-[N:3]):[c:7](-[C:6](=[O:9])-[N:10]):[c:8]	2	44604,44608
+[C:1]=[C:2]-[c:3]>>[C:2](-[c:3])=[O:20].[C:1]-[P+:5](-[c:4]:1:[c:18]:[c:19]:[c:21]:[c:22]:[c:23]:1)(-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2)-[c:12]:3:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:3	2	44623,52795
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[c:5](:[c:6](:[s:7]:1):[c:8]):[c:9])-[O:10]>>[C:4](-[c:5](:[c:6](:[c:8])-[Cl:12]):[c:9])=[O:11].[C:1](=[O:2])(-[C:3]-[S:7])-[O:10]	2	44650,47494
+[C:1]-[C:2](-[O:3])-[c:4]>>[C:1]-[Mg+:5].[C:2](=[O:3])-[c:4]	2	44659,47555
+[N:1]#[C:2]-[c:3]>>[C:2](-[c:3])=[O:4].[N:1]-[O:9]-[S:6](=[O:5])(=[O:7])-[O:8]	2	44665,44726
+[N:1]#[C:2]-[c:3]:[c:4]:[n:5]>>[C:2](-[c:3]:[c:4]:[n:5])=[O:6].[N:1]-[O:7]	2	44690,47037
+[c:1]:1:[c:2](-[C:3](-[c:4])-[O:8]):[s:5]:[c:6]:[c:7]:1>>[C:3](-[c:4])=[O:8].[c:1]:1:[c:2]:[s:5]:[c:6]:[c:7]:1	2	44744,44764
+[n:1]:[c:3](:[c:2])-[c:4]:1:[c:5]:[n:6]:[c:7]:[o:8]:1>>[n:1]:[c:3](:[c:2])-[C:4]=[O:8].[C:5](-[N+:6]#[C-:7])-[S:14](-[c:13]:1:[c:12]:[c:11]:[c:10](-[C:9]):[c:18]:[c:17]:1)(=[O:15])=[O:16]	2	44758,48126
+[n:1]:[c:2]:[c:3]-[C:4]-1-[O:5]-[C:7]-[C:6]-[O:8]-1>>[n:1]:[c:2]:[c:3]-[C:4]=[O:5].[C:6](-[C:7]-[O:9])-[O:8]	2	44788,44797
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5]=[N:6]-[O:8]):[c:7]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5]=[O:9]):[c:7]:1.[N:6]-[O:8]	2	44827,47082
+[S:1]-[N:2]>>[S:1]-[N:2]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5](-[O:4]-[C:3]):[c:13]:[c:10]:1-[O:11]-[C:12]	2	44840,52053
+[C:1]-[C:2](-[C:5]-[C:3](-[N:4])=[S:7])=[O:6]>>[C:1]-[C:2](-[C:5]-[C:3](-[N:4])=[O:20])=[O:6].[S:7]=[P:8]-1(-[c:9]:2:[c:10]:[c:11]:[c:12](-[O:13]-[C:14]):[c:15]:[c:16]:2)-[S:17]-[P:27](-[c:26]:3:[c:18]:[c:19]:[c:23](-[O:22]-[C:21]):[c:24]:[c:25]:3)(=[S:28])-[S:29]-1	2	44861,53013
+[N:1](-[c:2])-[S:3]>>[N:1](-[c:2])(-[S:3])-[S:5](-[C:4])(=[O:6])=[O:7]	2	45148,45149
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5](-[C:6]=[N:7])=[C:8](-[O:9])-[C:10]-[C:11]-1>>[C:3](=[O:4])(-[C:5]-[C:6]=[N:7])-[O:14].[C:1]-[N:2]-[C:11]-[C:10]-[C:8](-[O:9]-[C:12])=[O:13]	2	45184,45185
+[C:1]-[C:2](-[S:3]-[C:4](-[C:5])=[O:6])-[C:7]>>[C:1]-[C:2](-[C:7])-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11].[S:3]-[C:4](-[C:5])=[O:6]	2	45193,47485
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[s:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12].[c:3]:1(:[n:4]:[n:5]:[c:6]:[s:7]:1)-[Br:9]	2	45269,46524
+[C:1]=[C:2]-[C:3](-[N:4]-[S:5](=[O:6])(=[O:7])-[C:8])=[C:9](-[O:10])-[N:11]>>[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:12].[C:1]=[C:2]-[C:3](-[N:4])=[C:9](-[O:10])-[N:11]	2	45326,50641
+[c:1]:[c:2](-[N:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[C:13](=[O:12])-[O:14].[N:3](=[N+:16]=[N-:15])-[P:17](-[O:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(=[O:18])-[O:19]-[c:20]:2:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:2	2	45360,45680
+[c:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-[S:6]-1(=[O:7])=[O:8]>>[C:3](-[C:4]-[C:5]-[S:6](=[O:7])(=[O:8])-[Cl:10])-[Cl:9].[c:1]-[N:2]	2	45370,45371
+[S:1]-[C:2]-1-[C:3]-[C:4]-1>>[S:1]-[C:2]-[C:4]-[C:3]-[Cl:5]	2	45373,46068
+[C:1]=[C:2]-[S:3](=[O:4])(=[O:5])-[N:6]-[C:7]>>[C:1](-[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:9])-[Cl:8].[N:6]-[C:7]	2	45382,45384
+[c:1]:1:[c:2]:[c:3]:[c:4](-[S:5](=[O:6])(=[O:7])-[Cl:9]):[s:8]:1>>[S:5](=[O:6])(=[O:7])(-[Cl:9])-[Cl:10].[c:1]:1:[c:2]:[c:3]:[c:4]:[s:8]:1	2	45435,45443
+[C:1]-[N:2](-[c:3](:[n:4]):[s:5])-[S:6](=[O:7])(=[O:8])-[c:9]>>[S:6](=[O:7])(=[O:8])(-[c:9])-[Cl:10].[C:1]-[N:2]-[c:3](:[n:4]):[s:5]	2	45461,45463
+[c:1]:1:[n:2]:[n:3](-[S:4](=[O:5])(=[O:6])-[N:7]):[c:8]:[c:9]:1>>[S:4](=[O:5])(=[O:6])(-[N:7])-[Cl:10].[c:1]:1:[n:2]:[n:3]:[c:8]:[c:9]:1	2	45525,45526
+[S:1]-[N:2]-[c:3](:[c:4]):[o:5]>>[S:1]-[N:2](-[c:3](:[c:4]):[o:5])-[C:11]-[O:10]-[C:9]-[C:8]-[O:7]-[C:6]	2	45541,45558
+[c:1]-[C:2](-[N:3])=[N:4]-[S:5]>>[c:1]-[C:2]#[N:3].[N:4]-[S:5]	2	45567,45568
+[c:1]-[N:2]-[C:3]>>[c:1]-[N:2](-[C:3])-[S:13](-[c:12]:1:[c:7](-[N+:5](=[O:4])-[O-:6]):[c:8]:[c:9]:[c:10]:[c:11]:1)(=[O:14])=[O:15]	2	45617,52857
+[S:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[S:1]-[N:2]-[C:6].[c:3](:[c:4])(:[c:5])-[F:7]	2	45634,45636
+[N:1]-[C:6](=[C:4](-[C:2]=[O:3])-[O:5])-[C:7]>>[N:1]-[C:6](=[C:4](-[C:2]=[O:3])-[O:5]-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1)-[C:7]	2	45656,56577
+[O:1]=[S:2](=[O:3])(-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9]>>[O:1]=[S:2](=[O:3])(-[Cl:9])-[O:10].[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1	2	45733,45772
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1>>[O:3]-[S:10](=[O:9])(=[O:11])-[O:12].[N:1]#[C:2]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1	2	45804,45814
+[c:1]:1:[c:2]:[n:3]:[c:4](-[O:5]-[c:6]):[s:7]:1>>[O:5]-[c:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[s:7]:1)-[Br:8]	2	45824,48244
+[C:1]-[n:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1>>[C:1]-[O:10]-[S:7](=[O:8])(=[O:9])-[O:12]-[C:11].[n:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	2	45851,45852
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[O:11]-[S:8](-[O:7]-[C:6]-[C:5])(=[O:9])=[O:10].[O:3]-[c:4]	2	45860,45861
+[c:1]-[O:2]>>[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:12]:1:[c:6]:[c:7]:[c:9](-[C:8]):[c:10]:[c:11]:1	2	45882,53993
+[C:1]-[C:2](-[C:3]-[c:4])=[O:5]>>[C:1]-[C:2](=[C:3]-[c:4])-[N+:7](=[O:5])-[O-:6]	2	45916,54082
+[s:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[s:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]	2	45993,52671
+[N:1]#[C:2]-[C:3](-[C:4]-[C:5])-[c:6]>>[N:1]#[C:2]-[C:3](=[C:4]-[C:5])-[c:6]	2	46036,50714
+[N:1]-[C:2](-[N:3])=[N:4]-[C:5]>>[N:4]-[C:5].[N:1]-[C:2](=[N:3])-[n:9]:1:[n:8]:[c:7]:[c:6]:[c:10]:1	2	46038,54904
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[B:3](-[O:4])(-[O:5])-[c:26]:1:[c:25]:[c:24]:[c:23](-[C:22]-[C:21]-[C:20]-[C:18](-[N:17]-[c:16]:2:[c:15]:[c:14]:[c:13](-[S:10](-[C:9]-[C:8])(=[O:11])=[O:12]):[c:30](:[c:29]:2)-[C:31]#[N:32])=[O:19]):[c:28]:[c:27]:1.[c:1]:[c:2](:[c:6])-[Br:7]	2	46060,46061
+[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:1):[n:7]>>[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:1-[S:13](-[c:12]:2:[c:11]:[c:10]:[c:9](-[C:8]):[c:17]:[c:16]:2)(=[O:14])=[O:15]):[n:7]	2	46103,56293
+[O:1]=[C:2](-[O:3])-[C:4](-[O:5])=[C:7](-[C:6])-[O:8]>>[O:1]=[C:2]-[C:4](-[O:5])=[C:7](-[C:6])-[O:8].[O:3]-[C:25](-[C:24]-1=[C:15](-[C:13](-[C:12]=[C:11](-[C:10](-[N:9])-[S:28](=[O:29])(=[O:30])-[c:31]:2:[c:32]:[c:33]:[c:34]:[c:35]:[c:36]:2)-[O:27]-1)=[O:14])-[O:16]-[C:17]-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3)=[O:26]	2	46203,56569
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6](:[n:7]):[c:8]:1):[c:9]>>[c:3]:1(:[c:4]:[n:5]:[c:6](:[n:7]):[c:8]:1)-[Br:10].[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13]	2	46255,46256
+[N:1]-[C:2](-[C:3])(-[C:4])-[C:5]>>[N-:1]=[N+:10]=[N-:9].[C:2](-[C:3])(-[C:4])(-[C:5])-[C:7](=[O:6])-[O:8]	2	46275,47986
+[c:1]:1:[c:2]:[s:3]:[c:4]:[c:5]:1>>[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1)-[C:7](=[O:6])-[O:8]	2	46283,46885
+[c:1]:[c:2](-[N:3](-[c:4])-[S:5]):[c:6]>>[N:3](-[c:4])-[S:5].[c:1]:[c:2](:[c:6])-[B:8](-[O:7])-[O:9]	2	46295,54508
+[c:1]:[c:2](-[C:3]=[O:4]):[o:5]>>[O:4]=[Os:9](=[O:8])(=[O:10])=[O:11].[c:1]:[c:2](-[C:3]=[C:12]-[c:13]:1:[c:7]:[c:6]:[c:16]:[c:15]:[c:14]:1):[o:5]	2	46331,46332
+[n:1]:[c:8](:[c:2]):[c:4](:[c:3])-[C:5]-1-[C:6]-[C:7]-1>>[n:1]:[c:8](:[c:2]):[c:4](:[c:3])-[Br:9].[C:5]-1(-[C:6]-[C:7]-1)-[B:11](-[O:10])-[O:12]	2	46359,46361
+[n:1]:[n:2](:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]):[c:9](:[c:8]):[c:10]>>[c:4](:[c:5])(:[c:6])-[O:11]-[B:14](-[O:13])-[O:15].[n:1]:[n:2](:[c:3](:[c:7])-[Br:12]):[c:9](:[c:8]):[c:10]	2	46392,46393
+[c:1]:[c:12]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6](-[c:7](:[c:8]):[c:9]):[n:10]:[c:11]:1>>[c:7](:[c:8])(:[c:9])-[B:15](-[O:14])-[O:16].[c:1]:[c:12]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6](:[n:10]:[c:11]:1)-[Br:13]	2	46402,46417
+[C:1]=1-[C:2](-[c:3](:[c:4]):[c:5])=[N:6]-[N:7]-[C:8]-[C:9]=1>>[c:3](:[c:4])(:[c:5])-[B:12](-[O:11])-[O:13].[C:1]=1-[C:2](=[N:6]-[N:7]-[C:8]-[C:9]=1)-[Cl:10]	2	46461,46688
+[c:1]:[c:2](-[c:3](:[c:4]:[c:6]:[n:5]):[c:7]):[c:8]>>[c:3](:[c:4]:[c:6]:[n:5])(:[c:7])-[B:11](-[O:10])-[O:12].[c:1]:[c:2](:[c:8])-[Br:9]	2	46487,46676
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6](:[n:7]):[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13].[c:3]:1(:[n:4]:[n:5]:[c:6](:[n:7]):[c:8]:1)-[I:10]	2	46592,46738
+[c:1]:[c:2]:1:[s:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[c:9]:1:[n:10]>>[c:5](:[c:6])(:[c:7])-[B:13](-[O:12])-[O:14].[c:1]:[c:2]:1:[s:3]:[c:4](:[c:8]:[c:9]:1:[n:10])-[Br:11]	2	46613,51613
+[n:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[n:7]:[c:8]:1:[c:9]>>[c:4](:[c:5])(:[c:6])-[B:12](-[O:11])-[O:13].[n:1]:1:[n:2]:[c:3](:[n:7]:[c:8]:1:[c:9])-[Br:10]	2	46614,53411
+[c:1]:[c:2](-[N:3](-[N:4]=[C:5])-[C:7](-[N:6])=[O:8]):[c:9]>>[c:1]:[c:2](:[c:9])-[B:11](-[O:10])-[O:12].[N:3](-[N:4]=[C:5])-[C:7](-[N:6])=[O:8]	2	46702,46730
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]):[c:8]:[n:9]>>[c:1]:[c:2](:[c:8]:[n:9])-[B:10](-[O:11])-[O:13].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[Br:12]	2	46759,46774
+[C:1]-1(-[c:2](:[n:3]):[c:4])-[O:5]-[C:7]-[C:6]-[O:8]-1>>[C:6](-[C:7]-[O:9])-[O:8].[C:1](-[c:2](:[n:3]):[c:4])=[O:5]	2	46956,46957
+[C:1]-[c:2]:1:[c:3](:[c:4]:[n:5]:[o:6]:1)-[C:7]>>[N:5]-[O:6].[C:1]-[C:2](-[C:3](=[C:4]-[O:9])-[C:7])=[O:8]	2	47085,47169
+[c:1]:1:[n:2]:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[c:8]:[c:9]:1:2>>[N:2](=[O:10])-[O:11].[C:1]-[c:9]:1:[c:4](-[N:3]):[c:5]:[n:6]:[c:7]:[c:8]:1	2	47200,47207
+[S:1]=[C:2](-[c:3]:[c:5]:[n:4])-[N:6]>>[S:1].[C:2](-[c:3]:[c:5]:[n:4])#[N:6]	2	47370,47373
+[c:1]-[S:2](=[O:3])(=[O:4])-[c:5]>>[O:3]=[S:7](-[O:6])-[O:8]-[O:4].[c:1]-[S:2]-[c:5]	2	47403,47408
+[C:1](#[N:2])-[S:5]-[C:4]-[C:3]=[O:6]>>[C:1](#[N:2])-[S:5].[C:3](-[C:4]-[Br:7])=[O:6]	2	47471,47478
+[n:1]:[c:2](-[S:3]-[C:4]-[c:5](:[n:6]):[c:7]):[n:8]>>[n:1]:[c:2](-[S:3]):[n:8].[C:4](-[c:5](:[n:6]):[c:7])-[Cl:9]	2	47497,57152
+[n:1]:[c:2]:[c:3]:[c:4](-[C:5]#[N:6]):[c:7]>>[C-:5](#[N:6])~[Cu+:9].[n:1]:[c:2]:[c:3]:[c:4](:[c:7])-[Br:8]	2	47511,47517
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[s:6]>>[C:1]-[Li:8].[C:2](=[O:3])(-[c:4](:[c:5]):[s:6])-[O:7]	2	47547,47550
+[C:1]-[C:2](-[O:3])(-[c:4])-[c:5]>>[C:1]-[Mg:7]-[Br:6].[C:2](=[O:3])(-[c:4])-[c:5]	2	47582,47584
+[c:1]:[c:2](-[N:3]):[c:4]>>[N+:3](=[O:5])(-[O-:6])-[O:7].[c:1]:[c:2]:[c:4]	2	47675,47745
+[N:1]-[c:2]:[c:5](:[n:3]):[n:4]>>[N+:1](-[c:2]:[c:5](:[n:3]):[n:4])(=[O:6])-[O-:7]	2	47770,57187
+[c:1]:[c:2](-[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1	2	47823,53571
+[C:1]-[C:2](-[N:3]=[N+:8]=[N-:7])-[C:4](=[O:5])-[N:6]>>[N-:3]=[N+:8]=[N-:7].[C:1]-[C:2](-[C:4](=[O:5])-[N:6])-[Cl:9]	2	47916,47934
+[N:1](-[C:2]-[c:3](:[c:4]:[n:5]):[n:6])=[N+:8]=[N-:7]>>[N-:1]=[N+:8]=[N-:7].[C:2](-[c:3](:[c:4]:[n:5]):[n:6])-[O:9]	2	47939,47967
+[n:1]:[c:2]:[c:3]-[N:4]=[N+:6]=[N-:5]>>[N-:5]=[N+:6]=[N-:7].[n:1]:[c:2]:[c:3]-[N:4]	2	48004,48055
+[c:1]-[C:2]=[O:3]>>[O:3]=[O+:6]-[O-:5].[c:1]-[C:2]=[C:4]	2	48103,48105
+[N:1]-[C:2]-[c:3]:[c:4]:[n:5]>>[N:1](=[C:2]-[c:3]:[c:4]:[n:5])-[O:6]	2	48148,50267
+[c:1]:1:[c:2]:[c:3]:[n:4](-[c:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:2):[c:11]:1:[c:12]>>[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[Cl:13].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:11]:1:[c:12]	2	48158,50304
+[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[c:7](:[c:8]):[c:9]>>[c:7](:[c:8])(:[c:9])-[B:11](-[O:10])-[O:12].[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	2	48161,50015
+[c:1]:1:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]:[n:8]:[o:9]:1>>[c:1]:1:[c:2](-[C:3](=[O:4])-[O:10]):[c:7]:[n:8]:[o:9]:1.[N:5]-[C:6]	2	48253,53105
+[c:1](:[c:2]-[C:3]-[C:4]):[s:5]>>[c:1](:[c:2]-[C:3](-[C:4])=[O:6]):[s:5]	2	48285,52380
+[O:1]-[C:2]=[C:3]-[c:4]:[c:5]:[n:6]>>[C:3](-[c:4]:[c:5]:[n:6])=[O:7].[O:1]-[C:2]-[P+:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:26]:[c:25]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	2	48300,56749
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[c:7](:[c:8]):[c:9]>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1.[c:7](:[c:8])(:[c:9])-[F:10]	2	48302,50230
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:1:[c:6]>>[c:1]:1:[c:2]:[c:3]:[n:4](:[c:5]:1:[c:6])-[S:12](-[c:11]:2:[c:10]:[c:9]:[c:8](-[C:7]):[c:16]:[c:15]:2)(=[O:13])=[O:14]	2	48409,53999
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:3](-[c:4])=[O:20].[C:1]-[C:2]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:24]:3:[c:18]:[c:19]:[c:21]:[c:22]:[c:23]:3	2	48451,54136
+[C:1](-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:2-[C:7](=[O:8])-[N:9]-[C:10](-[C:11])=[N:12]-[n:13]:1:2)-[C:14](-[C:15])=[O:16]>>[C:1](-[C:2](-[N:3]-[C:4](-[C:5])-[c:6]:1:[c:7](-[O:8]):[n:9]:[c:10](-[C:11]):[n:12]:[n:13]:1)=[O:17])-[C:14](-[C:15])=[O:16]	2	48525,52267
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]:[c:8]:[n:9]):[c:10]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:10]:1)-[Cl:11].[O:6]-[c:7]:[c:8]:[n:9]	2	48600,48602
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[O:4]	2	48745,53266
+[c:1]-[O:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[c:1]-[O:2].[C:3](=[O:4])(-[C:5]=[C:6])-[Cl:7]	2	48751,53790
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-1-[C:6](=[O:7])-[C:8](-[O:9])-[C:10]-1(-[c:11])-[c:12]>>[C:6](=[O:7])(-[C:8]-[O:9])-[O:13].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]=[C:10](-[c:11])-[c:12]	2	48781,48782
+[O:1]-[C:2]-1(-[C:3](=[O:4])-[O:5])-[C:6]-[C:7]-1>>[O:1]-[C:2](-[C:3](=[O:4])-[O:5])-[C:6]-[C:7]-[Br:8]	2	48852,50707
+[c:1]-[S:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:8].[c:1]-[S:2]	2	48887,49180
+[C:1]=[C:2]-[C:3]=[C:4]-[C:5]=[O:6]>>[C:1]=[C:2]-[C:3]=[O:16].[C:4](-[C:5]=[O:6])=[P:21](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(-[c:20]:2:[c:14]:[c:15]:[c:17]:[c:18]:[c:19]:2)-[c:22]:3:[c:7]:[c:26]:[c:25]:[c:24]:[c:23]:3	2	49273,51685
+[C:1]-1(-[c:2])-[C:3]-[O:4]-1>>[C:1](-[c:2])(-[C:3]-[Cl:5])=[O:4]	2	49431,52735
+[C:1](-[c:2](:[c:3]):[c:4])(-[c:5](:[c:6]):[n:7])-[O:8]>>[C:1](-[c:5](:[c:6]):[n:7])=[O:8].[c:2](:[c:3])(:[c:4])-[Mg:10]-[Br:9]	2	49467,56313
+[c:1]-[C:2]-[N:3]-1-[C:4]=[C:5]-[c:6](:[c:7]):[c:9](:[c:8])-[C:10]-1=[O:11]>>[n:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[c:10]:1-[O:11].[c:1]-[C:2]-[Cl:12]	2	49468,50010
+[c:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7]>>[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7].[c:1]-[C:2]-[Cl:9]	2	49790,50280
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:7](=[O:6])-[O:8]-[C:9]-[C:10]-1-[c:5]:2:[c:4]:[c:20]:[c:19]:[c:18]:[c:17]:2-[c:16]:3:[c:11]-1:[c:12]:[c:13]:[c:14]:[c:15]:3	2	49855,49857
+[O:1]=[C:2]-[N:6]-[C:4](-[c:3])-[O:5]>>[O:1]=[C:2]-[N:6]-[C:4](-[c:3])=[O:5]	2	49958,51281
+[c:1]-[S:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9].[c:1]-[S:2]	2	50012,50748
+[c:1]:[c:2](-[C:3]=[C:4]-[N:5]):[c:6]>>[C:3]=[C:4]-[N:5].[c:1]:[c:2](:[c:6])-[Br:7]	2	50064,50065
+[C:1]-[C:2](-[N:3]-[C:4]=[O:5])-[n:6]:1:[n:7]:[n:8]:[c:9]:[c:10]:1:[c:11]>>[n:6]:1:[n:7]:[n:8]:[c:9]:[c:10]:1:[c:11].[N:3]-[C:4]=[O:5].[C:1]-[C:2]=[O:12]	2	50144,50145
+[c:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:1-[C:8]-[c:9]>>[c:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:1.[C:8](-[c:9])-[Br:10]	2	50212,56201
+[c:1]:[c:2](-[C:3](-[O:4])-[c:5](:[c:6]:[n:7]):[n:8]):[c:9]>>[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8].[c:1]:[c:2](:[c:9])-[Br:10]	2	50345,50346
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5]#[C:6]):[n:7]:[c:8]:1>>[C:5]#[C:6].[c:1]:1:[n:2]:[c:3]:[c:4](:[n:7]:[c:8]:1)-[I:9]	2	50358,53506
+[c:1]-[C:2]-[C:3]-[C:4]=[O:5]>>[C:3]-[C:4]=[O:5].[c:1]-[C:2]=[O:6]	2	50426,50427
+[c:1]:1:[c:2]:[n:3]:2:[c:4]:[n:5]:[c:6]:[c:7]:2:[c:8]:[n:9]:1>>[c:1]:1:[c:2]:[n:3]:[c:7](-[C:6]-[N:5]-[C:4]=[O:10]):[c:8]:[n:9]:1	2	50638,57053
+[C:1]=[C:2]-[O:3]>>[C:1](-[C:2]-[O:3])-[Cl:4]	2	50766,51600
+[c:1]-[C:2](=[O:3])-[O:4]-[c:5]>>[O:4]-[c:5].[c:1]-[C:2](=[O:3])-[O:6]	2	50848,55066
+[N:1](-[C:2])-[C:3](-[C:4])-[c:6]:[c:5]:[n:7]>>[N:1]-[C:2].[C:3](-[C:4])(-[c:6]:[c:5]:[n:7])=[O:8]	2	50942,51258
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6])-[c:7]):[c:8]:1>>[C:5](-[c:6])(-[c:7])-[O:9].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:8]:1	2	50962,50963
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5]-[c:6]):[s:7]:1>>[C:5](-[c:6])=[O:8].[c:1]:1:[c:2]:[c:3]:[c:4]:[s:7]:1	2	50991,50992
+[c:1]-[n:2]:1:[n:3]:[c:4]:[c:5](:[c:6]):[c:8]:1:[c:7]>>[C:4](-[c:5](:[c:6]):[c:8](:[c:7])-[F:10])=[O:9].[c:1]-[N:2]-[N:3]	2	50995,50996
+[C:1]-[c:2](:[n:3]):[c:5]:[n:4]>>[C:1](-[c:2](:[n:3]):[c:5]:[n:4])-[C:6]	2	51316,51371
+[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7](-[C:8])-[c:9]):[n:10]>>[N:7](-[C:8])-[c:9].[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:11]):[n:10]	2	51377,51380
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7]>>[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7])-[Cl:10].[c:1]-[O:2]	2	51393,51414
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[C:7](=[O:8])-[O:10]):[c:9]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[O:5]-[C:6]-[C:7](=[O:8])-[O:10])-[C:9]=[O:11]	2	51508,56639
+[c:1](-[C:2](=[O:3])-[O:4]):[c:5]-[N:6]>>[c:1]:1-[C:2](=[O:3])-[C:7](=[O:4])-[N:6]-[c:5]:1	2	51523,51640
+[C:1]-[N:2](-[C:3]-[c:4])-[c:5](:[n:6]):[c:7]>>[C:3](-[c:4])-[Br:8].[C:1]-[N:2]-[c:5](:[n:6]):[c:7]	2	51639,55637
+[C:1]-[C:2]-[C:3]-[C:4](=[C:5]-[C:6])-[Se:7]>>[C:1]-[C:2]=[C:3]-[C:4](=[C:5]-[C:6])-[Se:7]	2	51663,53169
+[C:1]-[C:2](-[N:3])=[O:11]>>[C:1]-[C:2](-[O:10])=[O:11].[n:3]:1:[c:8]:[c:7]:[n:6](:[c:9]:1)-[C:13](=[O:12])-[n:14]:2:[c:5]:[n:4]:[c:16]:[c:15]:2	2	51677,56520
+[C:1]-[C:2]-1=[N:3]-[c:4]:[c:5](:[n:6])-[N:7](-[c:8])-[C:9]-1=[O:10]>>[N:3]-[c:4]:[c:5](:[n:6])-[N:7]-[c:8].[C:1]-[C:2](-[C:9](=[O:10])-[O:12])=[O:11]	2	51796,55617
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](:[c:6]):[c:8](:[c:7]):[c:9](:[c:10]):[c:12]:1:[c:11]>>[c:1]:[c:2](:[c:3]:[c:4])-[c:12](:[c:9](-[c:5](:[c:6]):[c:8]:[c:7]):[c:10]):[c:11]	2	51821,55847
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3](:[c:4]:[n:5]:1)-[S:9](-[N:7](-[C:6])-[C:8])(=[O:10])=[O:11]	2	51839,53242
+[N:1]-[c:2](:[s:3]):[c:4]>>[N:1](-[c:2](:[s:3]):[c:4])-[C:6](-[C:5])=[O:7]	2	51871,56011
+[c:1]-[N:2]-[C:3](-[c:4])=[C:5]-[C:6](=[O:7])-[N:8]>>[C:3](-[c:4])(=[C:5]-[C:6](=[O:7])-[N:8])-[O:11]-[C:10]-[C:9].[c:1]-[N:2]	2	51923,51924
+[C:1](-[C:2]-[C:3](-[c:4])-[c:5])(=[O:6])-[O:7]>>[C:1](-[C:2]=[C:3](-[c:4])-[c:5])(=[O:6])-[O:7]	2	51925,54736
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:5](=[O:4])-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	2	51932,52021
+[C:1]=[N:2]>>[C:1]=[N:2]-[C:4](=[O:3])-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1	2	51934,51936
+[c:1]:[c:2]:1:[n:3]:[c:4](:[c:5]:[c:7]:1):[n:6]>>[c:1]:[c:2]:1:[n:3](:[c:4](:[c:5]:[c:7]:1):[n:6])-[S:9](=[O:8])(=[O:10])-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2	2	51954,57015
+[c:1]:[c:3](:[c:2])-[C:4](-[c:5])-[C:6]>>[c:1]:[c:3]:[c:2].[C:4](-[c:5])(-[C:6])-[O:7]	2	52042,53798
+[N:1](-[C:2]-[C:3])-[C:5](-[C:4])=[O:6]>>[N:1]#[C:2]-[C:3].[C:4]-[C:5](=[O:6])-[O:9]-[C:8]-[C:7]	2	52079,53856
+[c:1]-[C:2](-[c:3])=[C:4](-[C:5])-[C:6]>>[c:1]-[C:2](-[c:3])(-[C:4](-[C:5])-[C:6])-[O:7]	2	52085,54731
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3](:[c:4]:[n:5]:1)-[C:21](-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2)(-[c:20]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3)-[c:22]:4:[c:8]:[c:7]:[c:6]:[c:24]:[c:23]:4	2	52108,52111
+[c:1]-[C:2](=[O:3])-[c:4](:[c:5]:[n:6]):[n:7]>>[c:1]-[C:2](-[O:3])-[c:4](:[c:5]:[n:6]):[n:7]	2	52109,55470
+[N:1]-[c:2](:[n:3]):[c:4]>>[N:1](-[c:2](:[n:3]):[c:4])=[C:14](-[c:13]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)-[c:15]:2:[c:7]:[c:6]:[c:5]:[c:17]:[c:16]:2	2	52132,52133
+[O:1]-[C:2]-[c:3]:1:[c:4]:[o:5]:[n:6]:[c:7]:1>>[O:1]=[C:2](-[c:3]:1:[c:4]:[o:5]:[n:6]:[c:7]:1)-[O:8]	2	52215,52216
+[c:1]:[c:2]:1-[C:3](=[O:4])-[N:5]-[C:6](-[C:7])=[N:8]-[n:9]:1:[c:10]-[C:11]-[C:12](-[C:13])-[O:14]>>[c:1]:[c:2]:1-[C:3](=[O:4])-[N:5]=[C:6](-[C:7])-[N:8]-[n:9]:1:[c:10]-[C:11]-[C:12](-[C:13])=[O:14]	2	52271,53907
+[N:1]-[c:2]>>[N:1](-[c:2])(-[C:7]-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:16]:[c:15]:1)-[C:8]-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2	2	52311,56305
+[N:1](-[C:2])-[C:5]-[C:4]=[C:3]>>[N:1](-[C:2])(-[C:5]-[C:4]=[C:3])-[C:10]-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:1	2	52414,56345
+[C:1](-[C:2]-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)#[N+:8]>>[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)=[O:9].[C-:1]#[N+:8]	2	52775,55403
+[N:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8](-[O:7]-[C:6]):[c:14]:[c:13]:1	2	52867,55151
+[C:1](=[C:2](-[C:3](=[O:4])-[N:5](-[C:6])-[c:7])-[C:8]=[C:9])-[N:10]>>[N:5](-[C:6])-[c:7].[C:1](=[C:2](-[C:3](=[O:4])-[O:11])-[C:8]=[C:9])-[N:10]	2	52901,52902
+[c:1]:[c:2](-[C:3](-[C:4])-[N:5]-[c:6]):[o:7]>>[N:5]-[c:6].[c:1]:[c:2](-[C:3](-[C:4])=[O:8]):[o:7]	2	52950,53828
+[C:1](=[O:2])-[C:3]=[C:4]-[C:5]=[C:6]>>[C:4](-[C:5]=[C:6])=[O:18].[C:1](=[O:2])-[C:3]=[P:23](-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)(-[c:22]:2:[c:16]:[c:17]:[c:19]:[c:20]:[c:21]:2)-[c:24]:3:[c:9]:[c:8]:[c:7]:[c:26]:[c:25]:3	2	53005,53006
+[C:1](-[c:2]:[c:3]:[n:4])=[O:5]>>[C:1](-[c:2]:[c:3]:[n:4])(=[O:5])-[O:7]-[C:6]	2	53036,55918
+[C:1]-[O:13]>>[C:1]-[O:13]-[Si:18](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[C:15](-[C:14])(-[C:16])-[C:17])-[c:19]:2:[c:2]:[c:3]:[c:4]:[c:5]:[c:6]:2	2	53058,53065
+[C:1]-[O:2]>>[C:1]-[O:2]-[Si:16](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[C:13](-[C:12])(-[C:14])-[C:15])-[c:17]:2:[c:5]:[c:4]:[c:3]:[c:19]:[c:18]:2	2	53076,53080
+[c:1]:1:[n:2]:[c:3]:2:[c:4](:[n:5]:[c:6](:[c:7]:2:[c:8]):[c:9]):[c:10]:[c:11]:1>>[c:1]:1:[n:2]:[c:3](:[c:4](-[N:5]=[N+:13]=[N-:12]):[c:10]:[c:11]:1)-[c:7](:[c:6]:[c:9]):[c:8]	2	53121,56793
+[C:1]=[C:2]-[C:3]=[O:4]>>[C:1]=[C:2]-[C:3]-[O:4]	2	53160,53859
+[O:1]-[C:2]-[C:3]-[C:4]-[O:5]>>[O:1]=[C:2](-[C:3]-[C:4](-[O:5]-[C:10]-[C:11])=[O:9])-[O:8]-[C:7]-[C:6]	2	53215,53450
+[c:1]:[c:2](-[S:3]-[C:4]-[c:5](:[c:6]:[o:7]):[n:8]):[n:9]>>[C:4](-[c:5](:[c:6]:[o:7]):[n:8])-[Cl:10].[c:1]:[c:2](-[S:3]):[n:9]	2	53290,53291
+[N:1]-1-[C:2]-[C:3]-[C:4]-[c:5]:2:[n:6]:[c:7]:[c:8]:[n:9]:[c:10]-1:2>>[n:1]:1:[c:2]:[c:3]:[c:4]:[c:5]:2:[n:6]:[c:7]:[c:8]:[n:9]:[c:10]:1:2	2	53303,55844
+[C:1]=[C:2]-[c:3]:[c:5]:[n:4]>>[C:2](-[c:3]:[c:5]:[n:4])=[O:6].[C:1]-[P+:11](-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:25]:[c:24]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	2	53313,53370
+[C:1]-[c:2]:1:[c:3](-[c:4]):[n:5]:[c:6](-[c:7]):[o:8]:1>>[C:1]-[C:2](-[C:3](-[c:4])-[N:5]-[C:6](-[c:7])=[O:8])=[O:9]	2	53451,53460
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[c:1]:[c:2]:[c:3](:[c:4])-[O:5]-[c:6](:[c:7](:[c:8])-[Br:10]):[c:9]	2	53560,55322
+[C:1](-[C:2]=[C:3])-[O:4]>>[C:1](-[C:2]=[C:3])(=[O:4])-[O:5]	2	53858,56860
+[n:1]:[c:3](:[c:2])-[C:4](-[c:5])-[O:6]>>[n:1]:[c:3](:[c:2])-[C:4](-[c:5])=[O:6]	2	53875,56020
+[N:1]-[C:2](=[O:3])-[C:4](-[O:5])-[c:6]>>[N:1]-[C:2](=[O:3])-[C:4](=[O:5])-[c:6]	2	53892,53893
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5]:[c:6]:[c:7](:[c:8]):[c:10]:1:[c:9]>>[c:1]:[c:2]:[c:3](:[c:4])-[C:5]=[C:6]-[c:7](:[c:8]):[c:10]:[c:9]	2	54104,54105
+[c:1]-[S:2]>>[c:1]-[S:2](-[C:3])=[O:4]	2	54153,55475
+[O:1]=[C:2](-[C:3])-[C:4]-[n:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:1>>[O:1]=[C:2](-[C:3])-[C:4]-[Br:10].[n:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:1	2	54246,56995
+[O:1]-[C:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[s:7]:1)(-[C:8])-[c:9]>>[c:3]:1:[c:4]:[n:5]:[c:6]:[s:7]:1.[O:1]=[C:2](-[C:8])-[c:9]	2	54675,55609
+[O:1]=[C:2]-[c:3](:[c:4]:[n:5]):[n:6]>>[O:1]=[C:2](-[c:3](:[c:4]:[n:5]):[n:6])-[N:9](-[O:8]-[C:7])-[C:10]	2	54678,57182
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5](-[C:6]):[c:7]:1:[c:8]>>[c:1]:[c:2]:1-[C:3]-[C:4]-[N:5](-[C:6])-[c:7]:1:[c:8]	2	54763,57094
+[c:1]:[c:2](-[N:3]-1-[C:4]=[C:5]-[C:6]=[C:7]-[C:8]-1=[O:9]):[c:10]:[n:11]>>[c:1]:[c:2](:[c:10]:[n:11])-[Br:12].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[O:9]	2	55176,55633
+[N:1]-[C:2]-[C:3](=[O:4])-[N:5]>>[N:1](-[C:2]-[C:3](=[O:4])-[N:5])-[C:7](=[O:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	2	55552,55556
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5](:[c:6]):[n:9]:1:[c:8]:[c:7]>>[C:1]-[C:2](-[N:3]-[C:4]-[c:5](:[c:6]):[n:9]:[c:8]:[c:7])=[O:10]	2	55635,55765
+[O:1]=[C:2]-[O:3]>>[O:1]=[C:2]-[O:3]-[C:7]-[C:6]-[C:5]-[C:4]	2	55668,57359
+[c:1]:1:[c:2]:[n:3](-[C:4]-[c:5]):[c:6]:[c:7]:1>>[C:4](-[c:5])-[Cl:8].[c:1]:1:[c:2]:[n:3]:[c:6]:[c:7]:1	2	55879,55880
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[c:6])-[C:7](-[C:8])=[O:9]	2	55994,56062
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3](:[c:4]:[n:5]:1)-[C:10](-[c:9]:2:[c:8]:[c:7]:[c:6]:[c:24]:[c:23]:2)(-[c:11]:3:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:3)-[c:17]:4:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:4	2	56102,56106
+[N:1]-[C:2]-[C:3](=[O:4])-[N:5]>>[N:1](-[C:2]-[C:3](=[O:4])-[N:5])(-[C:10]-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:19]:[c:18]:1)-[C:11]-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2	2	56289,56290
+[N:1]-[S:2]>>[N:1](-[S:2])-[C:4](=[O:3])-[O:5]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	2	56461,56554
+[n:1]:[c:2]:[c:3]-[N:4]>>[n:1]:[c:2]:[c:3]-[N:4]-[C:10](=[O:9])-[O:11]-[C:12]-[c:13]:1:[c:8]:[c:7]:[c:6]:[c:5]:[c:14]:1	2	56462,56556
+[C:1]-[N:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[N:2](-[C:3]-[C:4](=[O:5])-[O:6])-[C:7](-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)=[O:16]	2	56483,56484
+[C:1]-[c:2]:1:[c:3](-[C:4]):[n:5]:[c:6](-[c:7](:[n:8]):[c:9]):[o:10]:1>>[C:1]-[C:2](-[C:3](-[C:4])-[N:5]-[C:6](-[c:7](:[n:8]):[c:9])=[O:11])=[O:10]	2	56495,56496
+[n:1]:[c:2](-[N:3]):[c:4]>>[n:1]:[c:2](-[N:3]-[C:6](=[O:5])-[O:7]-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1):[c:4]	2	56560,56561
+[C:1]-[O:2]>>[C:1]-[O:2]-[Si:17](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[C:14](-[C:13])(-[C:15])-[C:16])-[c:18]:2:[c:6]:[c:5]:[c:4]:[c:3]:[c:19]:2	2	57028,57036
+[c:1]:1:[c:2]:[c:3](-[n:4]:2:[n:5]:[c:6]:[n:7]:[c:8]:2):[n:9]:[c:10]:[n:11]:1>>[c:1]:1:[c:2]:[c:3](:[n:9]:[c:10]:[n:11]:1)-[Cl:12].[n:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:1	2	57205,57206
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6](-[O:7]):[n:8]:1):[n:9]:[n:10]:[c:11]:2>>[c:1]-[C:2](-[N:3]-[c:4]:1:[c:5](-[C:6](=[O:7])-[N:8]):[n:9]:[n:10]:[c:11]:1)=[O:12]	2	57332,57333
+[c:1](-[C:2]=[O:3]):[c:4]:[o:5]>>[c:1](-[C:2]-[O:3]):[c:4]:[o:5]	2	57353,57357
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:6]-[Br:7])-[C:8]>>[Br:7].[C:5](-[C:6]-[O:10])(-[C:8])-[O:9].[C:1]-[C:2](=[O:3])-[O:4]	1	6
+[c:1]-[C:2]-[Br:3]>>[Br:3].[c:1]-[C:2]-[Cl:4]	1	23
+[C:1](-[C:2](-[C:3](=[N:4])-[C:6]=[C:5])-[Br:8])=[O:7]>>[Br:8].[C:1](-[C:2]-[C:3](=[N:4])-[C:6]=[C:5])=[O:7]	1	33
+[c:1]-[C:2](=[O:3])-[C:4]-[Br:5]>>[Br:5].[C:4](-[Si:7](-[C:6])(-[C:8])-[C:9])=[N+:10]=[N-:11].[c:1]-[C:2](=[O:3])-[Cl:12]	1	40
+[C:1](-[C:2])-[Br:3]>>[Br:3].[C:1](-[C:2])-[Cl:4]	1	47
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[Br:6]>>[Br:6].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[N:7]	1	56
+[n:1]:[c:6]:[c:2]:[c:3](-[Br:4]):[c:5]>>[Br:4].[n:1]:[c:6]:[c:2]:[c:3](:[c:5])-[N:7]	1	59
+[c:1]:[c:2](:[c:3](:[n:4]):[c:5])-[Br:6]>>[Br:6].[c:1]:[c:2](:[c:3](:[n:4]):[c:5])-[N:7]	1	63
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[B:6](-[Br:5])-[Br:7].[c:1]-[C:2]-[O:4]-[C:8]	1	122
+[C:1](=[O:2])-[C:3](-[C:4]-[Br:6])=[O:5]>>[Br:6]-[Br:7].[C:1](=[O:2])-[C:3](-[C:4])=[O:5]	1	124
+[C:1](-[C:2](-[C:3](=[O:4])-[O:5])-[Br:7])=[O:6]>>[Br:7]-[Br:8].[C:1](-[C:2]-[C:3](=[O:4])-[O:5])=[O:6]	1	127
+[C:1]-[C:2](-[Br:3])(-[C:4](=[O:5])-[N:6])-[C:8](-[N:7])=[O:9]>>[Br:3]-[Br:10].[C:1]-[C:2](-[C:4](=[O:5])-[N:6])-[C:8](-[N:7])=[O:9]	1	142
+[n:1]:[c:2](:[c:3])-[C:6](=[C:5]-[N:4])-[Br:7]>>[Br:7]-[Br:8].[n:1]:[c:2](:[c:3])-[C:6]=[C:5]-[N:4]	1	155
+[c:1]:[c:2](-[Br:3]):[c:4](:[c:5]):[s:6]>>[Br:3]-[Br:7].[c:1]:[c:2]:[c:4](:[c:5]):[s:6]	1	159
+[n:1]:[c:2]:[c:3](:[c:4]:[c:5]:[n:6])-[Br:7]>>[Br:7]-[Br:8].[n:1]:[c:2]:[c:3]:[c:4]:[c:5]:[n:6]	1	168
+[C:1]-[C:2]=[C:3](-[F:4])-[C:5]-[Br:6]>>[Br:6]-[Br:7].[C:1]-[C:2]=[C:3](-[F:4])-[C:5]-[O:8]	1	194
+[c:1]:[c:2](-[C:3]-[Br:5]):[n:4]>>[Br:5]-[Br:6].[c:1]:[c:2](-[C:3]):[n:4]	1	233
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](:[n:6]:1:[c:7]:[c:8])-[Br:9]>>[Br:9]-[Br:10].[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:6]:1:[c:7]:[c:8]	1	238
+[N:1]-[C:2](=[O:3])-[C:4](=[C:5])-[Br:6]>>[Br:6]-[Br:7].[N:1]-[C:2](=[O:3])-[C:4]=[C:5]	1	239
+[c:1]:1:[c:2](-[Br:3]):[c:4]:[n:5]:[c:6]:1:[n:7]>>[Br:3]-[Br:8].[c:1]:1:[c:2]:[c:4]:[n:5]:[c:6]:1:[n:7]	1	268
+[c:1]:[c:2](-[Br:3]):[c:4](:[c:5]:[n:6]):[s:7]>>[Br:3]-[Br:8].[c:1]:[c:2]:[c:4](:[c:5]:[n:6]):[s:7]	1	283
+[C:1](-[C:2](-[C:3](=[O:4])-[C:5])-[Br:8])(-[C:6])=[O:7]>>[Br:8]-[Br:9].[C:1](-[C:2]-[C:3](=[O:4])-[C:5])(-[C:6])=[O:7]	1	289
+[c:1](:[c:2])(:[c:4]:[n:3])-[Br:5]>>[Br:5]-[Br:6].[c:1](:[c:2])(:[c:4]:[n:3])-[C:8](=[O:7])-[O:9]	1	307
+[c:1]:1:[s:2]:[c:3]:[c:4](-[Br:5]):[c:6]:1:[n:7]>>[Br:5]-[Br:8].[c:1]:1:[s:2]:[c:3]:[c:4]:[c:6]:1:[n:7]	1	328
+[c:1](:[c:2])(:[c:4](:[c:3]:[n:6]):[n:5])-[Br:7]>>[Br:7]-[Br:8].[c:1](:[c:2]):[c:4](:[c:3]:[n:6]):[n:5]	1	331
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[Br:6]):[c:7]:1>>[Br:6]-[Br:8].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:[c:7]:1	1	343
+[c:1]:[c:3]:1:[c:2]:[n:7]:[c:6]:[c:5](:[n:4]:1)-[Br:8]>>[Br:8]-[Br:9].[c:1]:[c:3]:1:[c:2]:[n:7]:[c:6]:[c:5]:[n:4]:1	1	347
+[n:1]:1:[c:2]:[c:3](:[c:4](:[c:5]:[n:6]):[c:7]:1)-[Br:8]>>[Br:8]-[Br:9].[n:1]:1:[c:2]:[c:3]:[c:4](:[c:5]:[n:6]):[c:7]:1	1	377
+[N:1]-1-[C:2](=[O:3])-[C:4](-[Br:5])=[C:6]-[N:7]=[C:8]-1-[N:9]-[c:10]>>[Br:5]-[Br:11].[N:1]-1-[C:2](=[O:3])-[C:4]=[C:6]-[N:7]-[C:8]-1=[N:9]-[c:10]	1	379
+[O:1]=[C:2]-[C:3](-[Br:4])-[c:5]>>[Br:4]-[Br:6].[O:1]=[C:2]-[C:3]-[c:5]	1	396
+[c:1]:1:[c:2]:[c:3]:[c:4](-[Br:5]):[n:6]:1>>[Br:5]-[Br:7].[c:1]:1:[c:2]:[c:3]:[c:4]:[n:6]:1	1	406
+[c:1]:1:[c:2]:[c:3]:[c:4](-[Br:5]):[o:6]:1>>[Br:5]-[Br:7].[c:1]:1:[c:2]:[c:3]:[c:4]:[o:6]:1	1	408
+[c:1]:1:[n:2]:[c:3]:[c:4](-[Br:5]):[o:6]:1>>[Br:5]-[Br:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[o:6]:1	1	421
+[N:1]-[C:5](=[C:3](-[C:2])-[N+:4])-[C:6]-[Br:7]>>[Br:7]-[Br:8].[N:1]-[C:5](=[C:3](-[C:2])-[N+:4])-[C:6]	1	423
+[n:1]:1:[c:2]:[c:3]:[c:4](-[Br:5]):[c:6]:[c:7]:1>>[Br:5]-[Br:8].[n:1]:1:[c:2]:[c:3]:[c:4]:[c:6]:[c:7]:1	1	437
+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1-[Br:6]>>[Br:6]-[Br:7].[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1	1	457
+[C:1]-[C:2](-[C:3])-[Br:4]>>[Br:4]-[C:6](-[Br:5])(-[Br:7])-[Br:8].[C:1]-[C:2](-[C:3])-[O:9]	1	490
+[c:1]:[c:2](:[n:3]:[c:4]:[c:5])-[Br:6]>>[Br:6]-[C:8](-[Br:7])(-[Br:9])-[Br:10].[c:1]:[c:2]:[n:3]:[c:4]:[c:5]	1	510
+[C:1]#[C:2]-[C:3]-[Br:4]>>[Br:4]-[C:6](-[Br:5])(-[Br:7])-[Br:8].[C:1]#[C:2]-[C:3]-[O:9]	1	513
+[C:1]-[C:2]=[C:3](-[C:4])-[C:5]-[Br:6]>>[Br:6]-[C:8](-[Br:7])(-[Br:9])-[Br:10].[C:1]-[C:2]=[C:3](-[C:4])-[C:5]-[O:11]	1	514
+[o:1]:[c:2](-[C:3]-[Br:4]):[c:5]>>[Br:4]-[C:7](-[Br:6])(-[Br:8])-[Br:9].[o:1]:[c:2](-[C:3]-[O:10]):[c:5]	1	537
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]-[Br:7]>>[Br:7]-[C:9](-[Br:8])(-[Br:10])-[Br:11].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]-[O:12]	1	551
+[C:1]=[C:2]-[C:3]-[C:4]-[Br:5]>>[Br:5]-[C:7](-[Br:6])(-[Br:8])-[Br:9].[C:1]=[C:2]-[C:3]-[C:4]-[O:10]	1	573
+[C:1]-[C:2]-1(-[O:3])-[O:6]-[C:5]-[C:4]-[C:7]-[O:8]-1>>[C:1]-[C:2](-[O:3])=[O:8].[C:4]-1-[C:5]-[O:6]-[C:7]-1	1	575
+[N:1]#[C:2]-[C:3]-1(-[c:4]:[c:6]:[n:5])-[C:7]-[C:8]-1>>[C:7]-[C:8](-[Br:9])-[Br:10].[N:1]#[C:2]-[C:3]-[c:4]:[c:6]:[n:5]	1	578
+[N:1]-[C:2](=[O:3])-[C:4]-1(-[C:5]-[C:6]-1)-[c:7]>>[C:5](-[C:6])(-[Br:8])-[Br:9].[N:1]-[C:2](=[O:3])-[C:4]-[c:7]	1	579
+[C:1](-[C:2]-[O:3]-[c:4])-[Br:5]>>[C:1]-[C:2](-[Br:5])-[Br:6].[O:3]-[c:4]	1	580
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(-[Br:4])-[Br:5].[O:3]-[S:7](=[O:6])(=[O:8])-[O:9]	1	585
+[O:1]=[C:2]-[c:3]>>[C:2](-[c:3])(-[Br:4])-[Br:5].[O:1]	1	586
+[c:1]-[c:2]:1:[c:3](-[c:4]):[s:5]:[c:6](-[N:7]):[n:8]:1>>[c:1]-[C:2](-[C:3](-[c:4])-[Br:10])=[O:9].[S:5]=[C:6](-[N:7])-[N:8]	1	587
+[C:1]-1-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]-1>>[C:1]-1(-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]-1)(-[Br:8])-[Br:9]	1	588
+[C:1]-1-[C:2]-[C:3]-1>>[C:1]-1-[C:2](-[C:3]-1)(-[Br:4])-[Br:5]	1	590
+[O:1]-[C:2]>>[O:1](-[C:2])-[C:6](-[O:5]-[C:4]-[C:3])-[C:7]	1	591
+[C:1]-[C:2]-1=[C:3]-[C:4]-1>>[C:1]-[C:2]-1(-[C:3](-[C:4]-1)(-[Br:6])-[Br:7])-[Br:5]	1	592
+[N:1]-1-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7](=[C:8](-[C:9]-1)-[C:10])-[Cl:11]>>[N:1]-1-[C:2]=[C:3](-[C:7](=[C:8](-[C:9]-1)-[C:10])-[Cl:11])-[Br:14].[c:4](:[c:5])(:[c:6])-[B:12](-[O:13])-[O:15]	1	593
+[C:1]=[C:2](-[C:3](=[O:4])-[N:5])-[B:7](-[O:6])-[O:8]>>[C:1]=[C:2](-[C:3](=[O:4])-[N:5])-[Br:9].[O:6]-[B:7](-[O:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	1	594
+[N:1]-[C:2](-[C:3](-[C:4])-[N:5]=[N+:9]=[N-:8])=[C:6](-[C:7])-[Br:10]>>[N:1]-[C:2](-[C:3](-[C:4])-[Br:11])=[C:6](-[C:7])-[Br:10].[N-:5]=[N+:9]=[N-:8]	1	595
+[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5]-[C:6]-[C:7]-1=[C:8]>>[C:8](-[Br:9])-[Br:10].[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5]-[C:6]-[C:7]-1=[O:11]	1	596
+[C:1]=[C:2](-[C:3])-[c:4]>>[C:1](-[Br:5])-[Br:6].[C:2](-[C:3])(-[c:4])=[O:7]	1	597
+[C:1]-[C:2]#[C:3]-[C:4]-[O:5]-[C:6]>>[C:1]-[C:2]#[C:3]-[C:4]-[Br:7].[O:5]-[C:6]	1	599
+[C:1]-[O:2]-[C:3]-[C:4](=[C:5])-[Br:6]>>[C:3](-[C:4](=[C:5])-[Br:6])-[Br:7].[C:1]-[O:2]	1	601
+[C:1]-[N:3](-[C:2])-[C:4]-[C:5](=[O:6])-[N:7]-[C:8]>>[C:4](-[C:5](=[O:6])-[Br:10])-[Br:9].[C:1]-[N:3]-[C:2].[N:7]-[C:8]	1	612
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Br:6].[C:1]-[N:2]	1	614
+[c:1]-1:[c:2]-[O:3]-[C:4]-[C:5](=[O:6])-[N:7]-1>>[C:4](-[C:5](=[O:6])-[Br:8])-[Br:9].[c:1](:[c:2]-[O:3])-[N:7]	1	617
+[C:1](=[O:2])-[c:3]:1:[c:4]:[s:5]:[c:6](-[N:7]):[n:8]:1>>[C:1](=[O:2])-[C:3](-[C:4]-[Br:10])=[O:9].[S:5]=[C:6](-[N:7])-[N:8]	1	623
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])-[C:8](-[C:7])=[O:9]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:10].[C:5](-[C:6])-[C:8](-[C:7])=[O:9]	1	650
+[c:1]:1:[c:2]:[n:3](-[C:4]-[C:5](=[O:6])-[O:7]):[c:8]:[n:9]:1>>[C:4](-[C:5](=[O:6])-[O:7])-[Br:10].[c:1]:1:[c:2]:[n:3]:[c:8]:[n:9]:1	1	656
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:7].[N+:5](-[c:6])(=[O:8])-[O-:9]	1	669
+[C:1](=[O:2])(-[C:3]-[N:4]-1-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-[C:10]-1)-[O:11]>>[C:1](=[O:2])(-[C:3]-[Br:12])-[O:11].[N:4]-1-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-[C:10]-1	1	670
+[C:1](=[O:2])(-[C:3]-[n:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:1)-[O:9]>>[C:1](=[O:2])(-[C:3]-[Br:10])-[O:9].[n:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:1	1	699
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])-[C:7]=[O:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:9].[C:5](-[C:6])-[C:7]=[O:8]	1	707
+[C:1]=[C:2](-[C:3])-[C:4]-[O:5]-[c:6]:[c:7]:[n:8]>>[C:1]=[C:2](-[C:3])-[C:4]-[Br:9].[O:5]-[c:6]:[c:7]:[n:8]	1	714
+[C:1]=[C:2](-[C:3])-[C:4]-[C:5](-[C:6](=[O:7])-[O:8])-[c:9]>>[C:1]=[C:2](-[C:3])-[C:4]-[Br:10].[C:5](-[C:6](=[O:7])-[O:8])-[c:9]	1	716
+[C:1]=[C:2](-[C:3])-[C:4]-[N:5](-[C:6])-[c:7]>>[C:1]=[C:2](-[C:3])-[C:4]-[Br:8].[N:5](-[C:6])-[c:7]	1	718
+[C:1]-[C:2]-[c:3]:1:[c:4]:[s:5]:[c:6]:[c:7]:1>>[C:1]-[C:2]-[Br:8].[c:3]:1(:[c:4]:[s:5]:[c:6]:[c:7]:1)-[Br:9]	1	724
+[c:1]-[S:4]-[C:3]-[C:2]=[O:5]>>[C:2](-[C:3]-[Br:6])=[O:5].[c:1]-[S:4]	1	727
+[c:1]-[N:2]-1-[C:3]-[C:4]-[n:5]:2:[c:6]:[c:7]:[c:8]:[c:9]:2-[C:10]-1=[O:11]>>[C:3](-[C:4]-[Br:13])-[Br:12].[c:1]-[N:2]-[C:10](-[c:9]:1:[n:5]:[c:6]:[c:7]:[c:8]:1)=[O:11]	1	735
+[N:1]-1(-[C:2]-[C:3]-[O:4]-[c:5]:[c:6]-1)-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]>>[C:2](-[C:3]-[Br:15])-[Br:14].[N:1](-[c:6]:[c:5]-[O:4])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	1	736
+[C:1]-[C:2]-[N:3](-[C:4])-[C:6](-[N:5])=[C:7](-[C:8])-[C:9]>>[C:1]-[C:2]-[Br:10].[N:3](-[C:4])-[C:6](-[N:5])=[C:7](-[C:8])-[C:9]	1	746
+[S:1]-[N:2]-1-[C:3]-[C:4]-[O:5]-[c:6]:[c:7]-1>>[C:3](-[C:4]-[Br:8])-[Br:9].[S:1]-[N:2]-[c:7]:[c:6]-[O:5]	1	751
+[N:1]-[C:2](=[O:3])-[C:4]-1(-[C:5](=[O:6])-[O:7])-[C:8]-[C:9]-1>>[C:8](-[C:9]-[Br:11])-[Br:10].[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:7]	1	760
+[N:1]-1-[C:2]-[C:3]-[O:4]-[c:5]:[c:6]-1>>[C:2](-[C:3]-[Br:7])-[Br:8].[N:1]-[c:6]:[c:5]-[O:4]	1	775
+[n:1]:[c:2]-1:[c:3](:[c:4]:[n:5])-[C:6]-2(-[C:7]-[C:8]-2)-[C:9](-[N:10]-1)=[O:11]>>[C:7](-[C:8]-[Br:13])-[Br:12].[n:1]:[c:2]-1:[c:3](:[c:4]:[n:5])-[C:6]-[C:9](-[N:10]-1)=[O:11]	1	777
+[O:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:2:[n:6]:[c:7]:[n:8](-[C:9]-[C:10]):[c:11]:2:[n:12]:1>>[C:9](-[C:10])-[Br:13].[n:3]:1:[c:4]:[c:5]:2:[n:6]:[c:7]:[n:8](:[c:11]:2:[n:20]:[c:19]:1-[N:18]-[C:17]-[C:16]-[C:15]-[C:14])-[C:21]-[C:22]-[C:23]-[C:24]-[C:25]-3-[C:26]-[C:27]-[C:28]-[O:29]-3.[O:1]-[c:2]:1:[n:12]:[c:36](-[N:37]):[c:38]:2:[c:34](:[n:33]:[c:32](-[O:31]-[C:30]):[n:39]:2):[n:35]:1	1	779
+[c:1](-[C:2]-1(-[C:3]#[N:4])-[C:5]-[C:6]-[C:7]-1):[c:8]:[n:9]>>[C:5](-[C:6]-[C:7]-[Br:11])-[Br:10].[c:1](-[C:2]-[C:3]#[N:4]):[c:8]:[n:9]	1	784
+[c:1]-[C:2]-1(-[C:3](=[O:4])-[O:5])-[C:6]-[C:7]-[C:8]-1>>[C:6](-[C:7]-[C:8]-[Br:10])-[Br:9].[c:1]-[C:2]-[C:3](=[O:4])-[O:5]	1	789
+[c:1]-1:[c:2]-[O:3]-[C:4]-[C:5]-[C:6]-[O:7]-1>>[C:4](-[C:5]-[C:6]-[Br:9])-[Br:8].[c:1](:[c:2]-[O:3])-[O:7]	1	796
+[C:1]-1-[C:2]-[C:3]-[C:4](-[C:5]-1)(-[C:6]#[N:7])-[C:9]#[N:8]>>[C:1](-[C:2]-[C:3]-[Br:10])-[C:5]-[Br:11].[C:4](-[C:6]#[N:7])-[C:9]#[N:8]	1	816
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]-[C:7]):[o:8]:1>>[C:6](-[C:7])-[Br:9].[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[o:8]:1	1	840
+[O:1]=[C:2](-[N:3])-[C:6](-[c:4])(-[C:5])-[C:7]-[C:8]>>[C:7](-[C:8])-[Br:9].[O:1]=[C:2](-[N:3])-[C:6](-[c:4])-[C:5]	1	844
+[C:1]-[C:2](-[C:3]-[C:4])(-[C:5](=[O:6])-[O:8])-[c:7]>>[C:3](-[C:4])-[Br:9].[C:1]-[C:2](-[C:5](=[O:6])-[O:8])-[c:7]	1	846
+[O:1]=[C:2]-1-[N:3](-[C:4]-[C:5])-[N:6]=[N:7]-[N:8]-1>>[C:4](-[C:5])-[Br:9].[O:1]=[C:2]-1-[N:3]-[N:6]=[N:7]-[N:8]-1	1	870
+[C:1]-[C:2]-[S:3]-[c:4](:[c:5]):[s:6]>>[C:1]-[C:2]-[Br:7].[S:3]-[c:4](:[c:5]):[s:6]	1	871
+[C:1]-[C:2]-[C:3](-[N:4]-[C:5](-[C:6])=[O:7])(-[C:8](=[O:9])-[O:10])-[C:11](=[O:12])-[O:13]>>[C:1]-[C:2]-[Br:14].[C:3](-[N:4]-[C:5](-[C:6])=[O:7])(-[C:8](=[O:9])-[O:10])-[C:11](=[O:12])-[O:13]	1	872
+[O:1]=[C:2](-[N:3])-[C:5](-[c:4])(-[C:6]-[C:7])-[C:9]-[C:8]>>[C:6](-[C:7])-[Br:10].[C:8]-[C:9]-[Br:11].[O:1]=[C:2](-[N:3])-[C:5]-[c:4]	1	887
+[c:1](-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]):[c:7]:[n:8]>>[C:3](-[C:4])-[Br:9].[C:5]-[C:6]-[Br:10].[c:1](-[N:2]):[c:7]:[n:8]	1	888
+[N:1]#[C:2]-[C:3](-[c:4](:[n:5]):[s:6])(-[C:7]-[C:8])-[C:10]-[C:9]>>[C:7](-[C:8])-[Br:12].[C:9]-[C:10]-[Br:11].[N:1]#[C:2]-[C:3]-[c:4](:[n:5]):[s:6]	1	895
+[C:1](-[C:2](=[O:3])-[O:9])-[N:4](-[C:5]-[C:6])-[C:8]-[C:7]>>[C:5](-[C:6])-[Br:10].[C:7]-[C:8]-[Br:11].[C:1](-[C:2](=[O:3])-[O:9])-[N:4]	1	898
+[C:1](-[C:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])(-[C:8]-[C:9])-[C:11]-[C:10])#[N:12]>>[C:8](-[C:9])-[Br:13].[C:10]-[C:11]-[Br:14].[C:1](-[C:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])#[N:12]	1	899
+[C:1]-[C:2]-1=[C:3]-[C:4](-[O:5])=[C:6](-[Br:7])-[C:8](=[O:9])-[N:10]-1-[C:11]-[c:12]>>[C:11](-[c:12])-[Br:13].[C:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[c:6](-[Br:7]):[c:8](-[O:9]):[n:10]:1	1	908
+[c:1]:[c:2](-[C:3]-[n:4]:1:[n:5]:[n:6]:[c:7]:[c:8]:1:[n:9]):[n:10]>>[c:1]:[c:2](-[C:3]-[Br:11]):[n:10].[n:4]:1:[n:5]:[n:6]:[c:7]:[c:8]:1:[n:9]	1	909
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5]-[N:6](-[C:7]-[c:8]:[c:10]:[n:9])-[C:11](=[O:12])-[C:13](-[F:14])=[C:15]-1-[N:16]>>[C:7](-[c:8]:[c:10]:[n:9])-[Br:17].[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[c:11](-[O:12]):[c:13](-[F:14]):[c:15]:1-[N:16]	1	911
+[c:1]-[C:2](=[O:3])-[O:4]>>[O:4]-[Br:5].[c:1]-[C:2](=[O:3])-[C:6]	1	913
+[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5](-[C:6])-[C:7]-1=[O:8])-[Br:9]>>[Br:9]-[P:11](=[O:10])(-[Br:12])-[Br:13].[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5](-[C:6])-[C:7]-1=[O:8])-[O:14]	1	914
+[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5]-[C:6]-1=[O:7])-[Br:8]>>[Br:8]-[P:10](=[O:9])(-[Br:11])-[Br:12].[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5]-[C:6]-1=[O:7])-[O:13]	1	915
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[P:8](-[Br:4])(-[Br:5])=[O:7].[c:1]-[C:2]-[O:6]	1	919
+[c:1](:[n+:2]:[c:3](:[c:4]):[c:5])(:[c:6])-[Br:7]>>[Br:7]-[P:9](=[O:8])(-[Br:10])-[Br:11].[c:1](:[n+:2]:[c:3](:[c:4]):[c:5]):[c:6]	1	925
+[c:1]:1(:[n:2]:[c:3]:2:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:2:[c:10]:[c:11]:1):[c:8])-[Br:12]>>[Br:12]-[P:14](=[O:13])(-[Br:15])-[Br:16].[C:1]-1(-[N:2]-[c:3]:2:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:2-[C:10]=[C:11]-1):[c:8])=[O:17]	1	926
+[c:1]:[c:2](:[n:3]:[n:4])-[Br:5]>>[Br:5]-[P:7](=[O:6])(-[Br:8])-[Br:9].[c:1]:[c:2](:[n:3]:[n:4])-[O:10]	1	931
+[O:1]=[C:2]-[C:3](=[C:4](-[Br:5])-[c:6])-[C:7]>>[Br:5]-[P:9](-[Br:8])-[Br:10].[O:1]=[C:2]-[N:12](-[C:11])-[C:13].[C:3](-[C:4](-[c:6])=[O:14])-[C:7]	1	951
+[c:1]:1:[c:2](-[Br:3]):[c:4]:[c:5]:[n:6]:[c:7]:1>>[Br:3]-[P:9](-[Br:8])-[Br:10].[c:1]:1:[c:2](:[c:4]:[c:5]:[n:6]:[c:7]:1)-[O:11]	1	952
+[c:1](:[s:2]):[c:3]-[C:4]-[Br:5]>>[Br:5]-[P:7](-[Br:6])-[Br:8].[c:1](:[s:2]):[c:3]-[C:4]-[O:9]	1	953
+[Br:1]-[C:2]-[C:3]=[C:4]>>[Br:1]-[P:6](-[Br:5])-[Br:7].[C:2](-[C:3]=[C:4])-[O:8]	1	971
+[C:1](-[C:2](=[C:3]-[C:4])-[O:5])-[Br:6]>>[Br:6]-[P:8](-[Br:7])-[Br:9].[C:1](-[C:2](=[C:3]-[C:4])-[O:5])-[O:10]	1	990
+[C:1]-[C:2](-[C:3](=[C:4])-[O:5])-[Br:6]>>[Br:6]-[P:8](-[Br:7])-[Br:9].[C:1]-[C:2](-[C:3](=[C:4])-[O:5])-[O:10]	1	994
+[C:1]-[C:2](-[c:3](:[c:4]):[n:5])-[Br:6]>>[Br:6]-[P:8](-[Br:7])-[Br:9].[C:1]-[C:2](-[c:3](:[c:4]):[n:5])-[O:10]	1	998
+[C:1](-[C:2])=[C:3](-[C:4])-[C:5]-[Br:6]>>[Br:6]-[P:8](-[Br:7])-[Br:9].[C:1](-[C:2])=[C:3](-[C:4])-[C:5]-[O:10]	1	1000
+[C:1](-[C:2])-[Br:3]>>[Br:3]-[S:5](=[O:4])-[Br:6].[C:1](-[C:2])-[O:7]	1	1023
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[S:5](=[O:4])-[Br:6].[c:1]-[C:2]-[O:7]	1	1024
+[c:1]:[c:2](:[c:3])-[Br:4]>>[Br:4]-[Cu:6]-[Br:5].[c:1]:[c:2](:[c:3])-[N:7]	1	1025
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[C:3](-[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])=[O:9].[C:1]-[N:2]	1	1039
+[c:1]:[c:2](-[C:3]-[O:4]-[c:5]:[c:7]:[n:6]):[n:8]>>[O:4]-[c:5]:[c:7]:[n:6].[c:1]:[c:2](-[C:3]-[Cl:9]):[n:8]	1	1049
+[C:1](-[C:2]-[O:3]-[c:4]:[c:6]:[n:5])=[O:7]>>[O:3]-[c:4]:[c:6]:[n:5].[C:1](-[C:2]-[Br:8])=[O:7]	1	1051
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5]-1):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:9].[C:3]-1(-[C:4]-[C:5]-1)-[Mg:8]-[Br:7]	1	1062
+[N-:1]=[C:2]=[C:3]-1-[N+:4](-[C:5]=[C:6](-[C:7]=[C:8]-1-[Br:9])-[Br:10])=[O:15]>>[c:3]:1:[n+:4](:[c:5]:[c:6](:[c:7]:[c:8]:1-[Br:9])-[Br:10])-[O-:15].[N:1]#[C:2]-[Si:12](-[C:11])(-[C:13])-[C:14]	1	1067
+[C:1]-[C:2](-[O:3]-[c:4]:[c:5]:[s:6])-[c:7]>>[O:3]-[c:4]:[c:5]:[s:6].[C:1]-[C:2](-[c:7])-[O:8]	1	1071
+[N:1](-[c:2](:[c:3]:[n:4]):[c:6]:[n:5])-[c:7](:[c:8]):[c:9]>>[c:7](:[c:8])(:[c:9])-[Br:10].[N:1]-[c:2](:[c:3]:[n:4]):[c:6]:[n:5]	1	1078
+[c:1]:1:[c:2]:[c:3]:[c:4](-[n:5]:2:[c:6]:[n:7]:[c:8]:[c:9]:2:[c:10]):[s:11]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:11]:1)-[Br:12].[n:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1:[c:10]	1	1101
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[c:3](:[c:4]):[c:6]:[n:5]	1	1109
+[c:1]:[c:2](:[c:3])-[Mg:5]-[Br:4]>>[c:1]:[c:2](:[c:3])-[Br:4].[Mg:5]	1	1111
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6](-[C:7]-[C:8](=[O:9])-[O:10]):[s:11]:1>>[C:1]-[C:2](-[N:3])=[S:11].[C:4](-[c:5])(-[C:6](-[C:7]-[C:8](=[O:9])-[O:10])-[Br:13])=[O:12]	1	1133
+[c:1]:1:[c:2](-[C:3](-[C:4])(-[C:5])-[O:10]):[c:6]:[c:7]:[n:8]:[c:9]:1>>[c:1]:1:[c:2]:[c:6]:[c:7]:[n:8]:[c:9]:1.[C:3](-[C:4])(-[C:5])=[O:10]	1	1138
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:8].[c:1]:[c:2](:[c:7])-[I:9]	1	1143
+[c:1]:1:[c:2]:[s:3]:[c:4](-[c:5](:[c:6]):[c:8]:[n:7]):[c:9]:1>>[c:5](:[c:6])(:[c:8]:[n:7])-[Br:19].[c:1]:1:[c:2]:[s:3]:[c:4](:[c:9]:1)-[B:14]-2-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-2)(-[C:17])-[C:18]	1	1145
+[O:1]=[C:2]-1-[C:3](=[C:4]-[C:5]=[C:6]-[N:7]-1-[C:8]-[C:9])-[Br:10]>>[O:1]-[c:2]:1:[c:3](:[c:4]:[c:5]:[c:6]:[n:7]:1)-[Br:10].[C:8](-[C:9])-[Br:11]	1	1159
+[C:1]-[N:2]-1-[C:3]=[C:4]-[C:5]=[C:6](-[C:7]-1=[O:8])-[Br:9]>>[n:2]:1:[c:3]:[c:4]:[c:5]:[c:6](:[c:7]:1-[O:8])-[Br:9].[C:1]-[I:10]	1	1160
+[c:1]-[C:2](-[c:3](:[c:4]):[c:6]:[n:5])-[O:7]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:8].[c:1]-[C:2]=[O:7]	1	1161
+[n:1]:[c:2](:[c:3]):[c:5](:[c:4])-[c:6]:1:[c:7]:[c:8]:[c:9]:[o:10]:1>>[c:6]:1(:[c:7]:[c:8]:[c:9]:[o:10]:1)-[Br:11].[n:1]:[c:2](:[c:3]):[c:5](:[c:4])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	1	1163
+[C:1]-[O:2]-[C:3]-[c:4](:[c:5]:[n:6]):[n:7]>>[C:3](-[c:4](:[c:5]:[n:6]):[n:7])-[Cl:8].[C:1]-[O:2]	1	1169
+[C:1]-1(=[C:2]-[C:3](=[O:4])-[N:5](-[C:6]-[C:7])-[C:8]=[C:9]-1)-[Br:10]>>[c:1]:1(:[c:2]:[c:3](-[O:4]):[n:5]:[c:8]:[c:9]:1)-[Br:10].[C:6](-[C:7])-[I:11]	1	1184
+[C:1]-[C:2](-[C:3](=[O:4])-[O:12])-[N:5]-1-[C:6]=[C:7]-[C:8](=[C:9]-[C:10]-1=[O:11])-[Br:13]>>[n:5]:1:[c:6]:[c:7]:[c:8](:[c:9]:[c:10]:1-[O:11])-[Br:13].[C:1]-[C:2](-[C:3](=[O:4])-[O:12])-[Br:14]	1	1185
+[C:1]-[C:2]-1=[C:3](-[C:4])-[c:5]:2:[c:6](:[s:7]:[c:8]:[c:9]:2)-[C:10](=[O:11])-[O:12]-1>>[c:5]:1(:[c:6](:[s:7]:[c:8]:[c:9]:1)-[C:10](=[O:11])-[O:12]-[C:13])-[Br:14].[C:1]-[C:2](-[C:3]-[C:4])=[O:15]	1	1191
+[c:1]:1:[c:2]:[s:3]:[c:4](-[C:5](-[O:6])(-[C:7])-[C:8]):[n:9]:1>>[c:1]:1:[c:2]:[s:3]:[c:4](:[n:9]:1)-[Br:10].[C:5](=[O:6])(-[C:7])-[C:8]	1	1212
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[c:9]:[c:10]:1:2>>[C:1]-[C:2](-[c:10]:1:[c:5](:[c:6]:[n:7]:[c:8]:[c:9]:1)-[F:12])=[O:11].[N:3]-[N:4]	1	1218
+[c:1]:[c:4](:[c:3]:[n:2])-[N:5]-[c:6]>>[c:1]:[c:4](:[c:3]:[n:2])-[F:7].[N:5]-[c:6]	1	1219
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:6](:[c:5]):[n:7]:1-[c:8](:[n:9]:[c:10]:[c:11]):[c:12]>>[c:8](:[n:9]:[c:10]:[c:11])(:[c:12])-[Br:13].[c:1]:[c:2]:1:[c:3]:[c:4]:[c:6](:[c:5]):[n:7]:1	1	1224
+[O:1]-[C:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[s:7]:1)-[C:8]>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[s:7]:1)-[Br:9].[O:1]=[C:2]-[C:8]	1	1231
+[C:1](-[C:2]#[N:3])-[C:4](=[O:5])-[c:6](:[c:7]):[o:8]>>[C:4](=[O:5])(-[c:6](:[c:7]):[o:8])-[O:10]-[C:9].[C:1]-[C:2]#[N:3]	1	1237
+[C:1]-[S:2]-[C:3](-[S:4]-[C:5])=[C:6](-[C:7]#[N:8])-[C:9]=[O:10]>>[C:6](-[C:7]#[N:8])-[C:9]=[O:10].[C:1]-[S:12](-[C:11])=[O:13].[C:5]-[I:14].[S:2]=[C:3]=[S:4]	1	1238
+[c:1]:1:[c:2](:[c:3]):[n:4](-[c:5]:2:[n:6]:[c:7]:[c:8]:[s:9]:2):[c:10]:[n:11]:1>>[c:5]:1(:[n:6]:[c:7]:[c:8]:[s:9]:1)-[Br:12].[c:1]:1:[c:2](:[c:3]):[n:4]:[c:10]:[n:11]:1	1	1243
+[c:1]:1:[c:2]:[c:3]:[c:4](-[S:5]-[c:6]):[s:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:7]:1)-[Br:8].[S:5]-[c:6]	1	1249
+[C:1]#[C:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:5].[C:1]#[C:2]	1	1260
+[N:1]-[C:2](=[O:3])-[C:4]#[C:5]-[c:6](:[c:7]):[c:8]>>[N:1]-[C:2](=[O:3])-[C:4]#[C:5].[c:6](:[c:7])(:[c:8])-[I:9]	1	1265
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]-[C:7](=[O:8])-[O:9]):[n:10]:[c:11](-[O:12]):[c:13]:[c:14]:1>>[N:10]-[C:11](=[O:12])-[C:13]#[C:14].[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6]-[C:7](=[O:8])-[O:9])=[O:15]	1	1266
+[C:1]#[C:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[C:1]#[C:2]-[C:3](=[O:4])-[O:7]	1	1267
+[C:1]#[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]#[C:2]-[C:3](=[O:4])-[O:8].[N:5](-[C:6])-[C:7]	1	1268
+[O:1]=[C:2](-[O:3])-[C:4]#[C:5]-[C:6](-[O:7])-[c:8]>>[C:6](=[O:7])-[c:8].[O:1]=[C:2](-[O:3])-[C:4]#[C:5]	1	1269
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[n:7]:[n:8]:1-[C:9]>>[O:1]-[C:2](=[O:3])-[C:4]#[C:5].[N-:6]=[N+:7]=[N:8]-[C:9]	1	1272
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+[C:1]#[C:2]-[C:3]-[N:4](-[C:5](=[O:6])-[C:7])-[c:8]>>[N:4](-[C:5](=[O:6])-[C:7])-[c:8].[C:1]#[C:2]-[C:3]-[Br:9]	1	1303
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+[c:1]-[C:2](-[C:5](-[C:3]#[N:4])-[C:6]#[N:7])=[O:8]>>[C:3](#[N:4])-[C:5]-[C:6]#[N:7].[c:1]-[C:2](=[O:8])-[Cl:9]	1	1491
+[c:1]-[C:2]-1-[C:3](-[C:4]#[N:5])=[C:6](-[N:7])-[O:8]-[c:9]:2:[c:10]-1:[c:11](-[c:12]):[n:13]:[n:14]:2-[C:15]>>[C:3](-[C:4]#[N:5])-[C:6]#[N:7].[O:8]=[C:9]-1-[C:10]-[C:11](-[c:12])=[N:13]-[N:14]-1-[C:15].[c:1]-[C:2]=[O:16]	1	1492
+[c:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6]-2:[c:7]:1-[C:8](-[c:9])-[C:10](-[C:11]#[N:12])=[C:13](-[N:14])-[O:15]-2>>[C:10](-[C:11]#[N:12])-[C:13]#[N:14].[c:1]-[C:2]-1=[N:3]-[N:4](-[c:5])-[C:6](-[C:7]-1)=[O:15].[C:8](-[c:9])=[O:16]	1	1493
+[C:1]-[C:2](=[O:3])-[C:4]-[C:5]>>[C:1]-[C:2]#[N:12].[C:4](-[C:5])-[Mg:7]-[Br:6].[O:3](-[C:9]-[C:8])-[C:10]-[C:11]	1	1497
+[N:1]-1-[C:2]=[C:3]-[C:4](-[N:5]-[c:6])=[C:7](-[N+:8])-[C:9]-1=[O:10]>>[N:5]-[c:6].[N:1]-1-[C:2]=[C:3]-[C:4](=[C:7](-[N+:8])-[C:9]-1=[O:10])-[Cl:11]	1	1511
+[N:1]-[C:2](-[c:3])=[S:4]>>[N:1]#[C:2]-[c:3].[S:4]=[C:6](-[C:5])-[N:7]	1	1527
+[C:1]-[C:2]=[C:3]-[C:4]-[C:5]>>[C:1]-[C:2]=[C:3].[C:4](-[C:5])-[C:7]=[C:6]	1	1536
+[C:1]=[C:2]-[C:3]-[C:4]-[C:5](-[C:6])=[O:7]>>[C:5](-[C:6])(=[O:7])-[N:11](-[O:10]-[C:9])-[C:12].[C:1]=[C:2]-[C:3]-[C:4]-[Br:8]	1	1544
+[C:1]-[C:2]-[C:3](-[O:4])-[C:5]>>[C:1]-[C:2]-[Br:6].[C:3](=[O:4])-[C:5]	1	1551
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[C:6]=[C:7]-[N:8]-[C:9]-1=[O:10]>>[N:3]-1-[C:4](=[O:5])-[C:6]=[C:7]-[N:8]-[C:9]-1=[O:10].[C:1]-[C:2]-[Br:11]	1	1555
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5])-[C:6]-[C:7]>>[C:6](-[C:7])-[Br:8].[C:5]-[N:11](-[C:10])-[C:12]=[O:13].[C:1](-[C:2]-[C:3]-[N:4])=[C:9]	1	1558
+[C:1]=[C:2]-[C:3]-[C:4]-[C:5](-[O:6])-[c:7]>>[C:1]=[C:2]-[C:3]-[C:4]-[Mg:9]-[Br:8].[C:5](=[O:6])-[c:7]	1	1560
+[C:1]=[C:2]-[C:3]-[C:4]-[C:5](-[O:6])-[C:7]>>[C:1]=[C:2]-[C:3]-[C:4]-[Mg:9]-[Br:8].[C:5](=[O:6])-[C:7]	1	1561
+[C:1]=[C:2]-[C:3]-[C:4](-[C:5])-[C:7](-[N:6])=[O:8]>>[C:1]=[C:2]-[C:3]-[I:9].[C:4](-[C:5])-[C:7](-[N:6])=[O:8]	1	1564
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5](=[O:6])-[N:7]-[C:8])-[C:9](-[O:10]-[C:11](-[C:12])-[C:13])-[C:14]>>[C:5](=[O:6])=[N:7]-[C:8].[C:9](=[O:10])-[C:14].[C:11](-[C:12])(-[C:13])-[O:15].[C:1]=[C:2]-[C:3]-[N:4]	1	1566
+[N:1]-1(-[C:2](-[C:3]-[C:4]-[C:5]-1)=[O:9])-[C:8]-[C:7]=[C:6]>>[C:2](-[C:3]-[C:4]-[C:5]-[Cl:13])(=[O:9])-[O:12]-[C:11]-[C:10].[N:1]-[C:8]-[C:7]=[C:6]	1	1567
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+[C:1]-[N:2](-[C:3]-[C:4])-[C:7]-[C:6]=[C:5]>>[C:1]-[N:2]-[C:7]-[C:6]=[C:5].[C:3](-[C:4])-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11]	1	1574
+[C:1]=[C:2]-[C:3]-[O:4]-[C:5](=[O:6])-[C:7]>>[O:4](-[C:5](=[O:6])-[C:7])-[C:8].[C:1]=[C:2]-[C:3]-[O:9]	1	1575
+[C:1]=[C:2]-[C:3]-[O:4]-[C:5](=[O:6])-[C:7]>>[C:5](=[O:6])(-[C:7])-[O:8].[C:1]=[C:2]-[C:3]-[O:4]	1	1576
+[C:1]-[O:2]-[C:3]-[C:4]=[C:5]>>[C:3](-[C:4]=[C:5])-[O:6].[C:1]-[O:2]	1	1577
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+[s:1]:[c:2](:[c:3])-[C:6]-[C:5]-[N+:4]>>[s:1]:[c:2](:[c:3])-[C:6]=[C:5]-[N+:4]	1	1600
+[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[N:6]-[c:7]>>[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[Cl:8].[N:6]-[c:7]	1	1608
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+[c:1]:1:[c:2]:[c:3](-[N+:4](=[O:5])-[O-:6]):[c:7]:[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:7]:[s:8]:1.[N+:4](=[O:5])(-[O-:6])-[O:9]	1	1633
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]-[C:8](-[N:9])=[O:10]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:11].[N:5](-[C:6])-[C:7]-[C:8](-[N:9])=[O:10]	1	1639
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:6]:[c:8]:[n:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:9].[N:5]-[c:6]:[c:8]:[n:7]	1	1664
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[c:8]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:9].[N:5]-[c:6](:[n:7]):[c:8]	1	1672
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[C:7]=[C:8]>>[C:5](=[O:6])(-[C:7]=[C:8])-[Cl:9].[c:1]-[C:2]-[C:4]-[N:3]	1	1673
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[c:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:8].[N:5](-[C:6])-[c:7]	1	1685
+[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[Cl:9].[N:6](-[C:7])-[C:8]	1	1688
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+[C:1]-[c:2]:1:[c:3]:[n:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2](-[C:3]-[Br:11])=[O:12].[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1-[N:10]	1	1691
+[C:1]-[C:2](-[c:3]:1:[c:4]:[c:5](:[c:6](:[c:7]):[o:9]:1):[c:8])=[O:10]>>[C:1]-[C:2](-[C:3]-[Br:11])=[O:10].[C:4](-[c:5](:[c:6](:[c:7])-[O:9]):[c:8])=[O:12]	1	1693
+[C:1]-[C:2]-1=[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:10]-1)=[O:11]>>[C:1]-[C:2](-[C:10]-[C:9](=[O:11])-[O:13]-[C:12])=[O:14].[N:3]-[c:4]:1:[c:5]:[c:6]:[n:7]:[n:8]:1	1	1696
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+[n:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:1-[C:6](-[C:7])=[O:8]>>[C:6](-[C:7])(=[O:8])-[N:11](-[O:10]-[C:9])-[C:12].[n:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:1	1	1725
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[s:6]:[c:7]:[c:8]:1>>[C:1]-[C:2](=[O:3])-[N:12](-[O:11]-[C:10])-[C:13].[c:4]:1(:[c:5]:[s:6]:[c:7]:[c:8]:1)-[Br:9]	1	1726
+[C:1]-[C:2](-[C:3]-[c:4])=[O:5]>>[C:1]-[C:2](=[O:5])-[N:8](-[O:7]-[C:6])-[C:9].[C:3]-[c:4]	1	1727
+[C:1]#[C:2]-[C:3]-[N:4]-1-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[N:10](-[c:11])-[C:12]-1=[O:13]>>[C:1]#[C:2]-[C:3]-[N:4]-[C:12](-[N:10]-[c:11])=[O:13].[C:5](=[O:6])=[N:7]-[C:8](=[O:9])-[Cl:14]	1	1732
+[N:1]-[C:2](=[O:3])-[N:4]-[N:5]=[C:6](-[C:7]=[O:8])-[C:9]=[O:10]>>[C:6](-[C:7]=[O:8])(-[C:9]=[O:10])(-[O:11])-[O:12].[N:1]-[C:2](=[O:3])-[N:4]-[N:5]	1	1734
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10]>>[C:1]-[N:2]-[C:10].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:15]-[N:14]=[C:13](-[C:12]#[N:11])-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1	1	1738
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]-1=[O:11]>>[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[O:13])-[O:12].[C:1]-[N:2]-[C:10](-[N:8]-[C:9])=[O:11]	1	1752
+[C:1]-[C:2]-[O:3]-[C:4](=[O:5])-[C:6]-[C:7](=[O:8])-[C:9]>>[O:3]-[C:4](=[O:5])-[C:6]-[C:11](=[O:10])-[O:12].[C:1]-[C:2]-[K:14].[C:7](-[O:8])(-[C:9])=[O:13]	1	1757
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]:[c:8]:[n:7]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:11](=[O:10])-[O:12].[C:5](-[c:6]:[c:8]:[n:7])=[O:9]	1	1766
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8]>>[C:1]-[C:2](=[O:3])-[O:4].[C:5](-[C:6])(-[C:7])(-[C:8])-[O:9]	1	1776
+[C:1](=[O:2])(-[c:3]:1:[c:4](-[C:5]):[c:6]:2:[c:7](:[n:8]:[c:9]:[n:10]:[c:11]:2):[n:12]:1-[C:13])-[O:14]>>[C:1](=[O:2])(-[C:3]#[C:4]-[C:5])-[O:14].[c:6]:1(:[c:7](:[n:8]:[c:9]:[n:10]:[c:11]:1)-[N:12]-[C:13])-[Br:15]	1	1782
+[c:1]:1:[n:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[c:7](-[C:8](=[O:9])-[O:14]):[c:10](-[C:11]):[n:12]:2-[C:13]>>[C:7](-[C:8](=[O:9])-[O:14])#[C:10]-[C:11].[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]:[n:6]:1)-[Br:15])-[N:12]-[C:13]	1	1784
+[C:1]-[C:2](-[C:3](-[O:5])=[O:6])-[C:4]>>[C:1]-[C:2](-[C:3](-[O:5])=[O:6])(-[C:4])-[C:9](-[O:8]-[C:7])=[O:10]	1	1785
+[C:1]=[C:2]-1-[C:3]-[C:4](-[C:5])-[N:6](-[C:7])-[C:8]-1=[O:9]>>[C:1]=[C:2](-[C:3]-[Br:12])-[C:8](=[O:9])-[O:11]-[C:10].[C:4](-[C:5])=[N:6]-[C:7]	1	1789
+[O:1]=[C:2](-[C:3](-[C:4]#[N:5])(-[C:6])-[C:7])-[O:8]>>[O:1]=[C:2](-[O:8])-[Cl:9].[C:3](-[C:4]#[N:5])(-[C:6])-[C:7]	1	1794
+[O:1]-[C:2](=[O:3])-[O:4]-[C:5](=[C:6]-[C:7])-[C:8]>>[O:1]-[C:2](=[O:3])-[Cl:9].[O:4]-[C:5](=[C:6]-[C:7])-[C:8]	1	1804
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1)-[O:8]>>[C:1](=[O:2])(-[O:8])-[Cl:9].[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1	1	1828
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5](=[O:6])-[N:7])-[c:8]>>[O:1]-[C:2](=[O:3])-[Cl:9].[N:4](-[C:5](=[O:6])-[N:7])-[c:8]	1	1839
+[O:1]-[C:2](=[O:3])-[N:4]-[N:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N:4]-[N:5]	1	1842
+[C:1]=[C:2]-[C:3]-[O:4]-[C:5](=[O:6])-[O:7]>>[C:5](=[O:6])(-[O:7])-[Cl:8].[C:1]=[C:2]-[C:3]-[O:4]	1	1858
+[O:1]-[C:2](-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8])-[C:9]>>[O:1]-[C:2](-[C:9])-[O:13]-[C:11](-[C:10])=[O:12].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]	1	1867
+[c:1]:[c:2](-[C:3](-[C:4])=[O:6]):[s:5]>>[c:1]:[c:2](-[C:3](-[C:4])-[O:6]):[s:5]	1	1881
+[c:1]:1(:[c:2](:[c:3]):[c:5](:[c:4]):[n:6]:[c:7](:[c:8]):[c:10]:1:[c:9])-[Cl:11]>>[C:1](-[c:10](:[c:7](-[N:6]-[c:5](:[c:2]:[c:3]):[c:4]):[c:8]):[c:9])(=[O:16])-[O:17].[Cl:11]-[P:13](=[O:12])(-[Cl:14])-[Cl:15]	1	1913
+[C:1]-[O:2]-[C:3](=[N:4]-[C:5])-[C:6](=[O:7])-[c:8]:[c:10]:[c:9]>>[C:1]-[O:2]-[c:10](:[c:8]-[C:6](-[C:3]=[O:11])=[O:7]):[c:9].[N:4]-[C:5]	1	1914
+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[c:6](-[c:7]):[n:8]:[o:9]:1>>[n:1]:[c:2]:[c:3]-[C:4](=[O:10])-[O:11].[N:5]-[C:6](-[c:7])=[N:8]-[O:9]	1	1920
+[O:1]=[C:2](-[c:3]:[c:4]:[n:5])-[O:6]-[C:8](-[C:7])(-[C:9])-[C:10]>>[O:1]=[C:2](-[c:3]:[c:4]:[n:5])-[O:11].[O:6]-[C:8](-[C:7])(-[C:9])-[C:10]	1	1923
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[c:6](:[c:7]):[n:10]:[c:9]:[c:8]>>[c:6](:[c:7])(:[n:10]:[c:9]:[c:8])-[Cl:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]	1	1931
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[N:6](-[C:7])-[c:8]):[c:9]:[n:10]:1>>[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:11]):[c:9]:[n:10]:1.[N:6](-[C:7])-[c:8]	1	1946
+[s:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]>>[C:4](=[O:5])=[N:6]-[C:7].[s:1]:[c:2](-[N:3]):[c:8]	1	1953
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[n:8]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5]-[c:6](:[n:7]):[n:8]	1	1954
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5](-[C:6])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	1	1964
+[C:1]-[N:2]-[C:3](=[O:4])-[n:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:1>>[C:1]-[N:2]=[C:3]=[O:4].[n:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:1	1	1966
+[C:1]-[N:2]-[C:3](=[O:4])-[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[c:9]>>[C:1]-[N:2]=[C:3]=[O:4].[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[c:9]	1	1988
+[N:1](-[C:2])-[C:3](=[O:4])-[N:5](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])-[C:11])-[C:12]>>[N:1](-[C:2])=[C:3]=[O:4].[N:5]-[C:6].[C:7](=[O:8])-[C:12].[C:9](-[C:10])(-[C:11])-[O:13]	1	1998
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[C:6])-[C:7](-[O:8]-[C:9])-[C:10]>>[C:3](=[O:4])=[N:5]-[C:6].[C:7](-[C:10])=[O:11].[O:8]-[C:9].[C:1]-[N:2]	1	1999
+[O:1]=[C:2](-[N:3]-[C:4])-[N:5]-[C:6](=[O:7])-[C:8]>>[O:1]=[C:2]=[N:3]-[C:4].[N:5]-[C:6](=[O:7])-[C:8]	1	2000
+[O:1]=[C:2](-[C:3])-[N:5](-[C:4])-[C:6](=[O:7])-[N:8]-[C:9]>>[C:6](=[O:7])=[N:8]-[C:9].[O:1]=[C:2](-[C:3])-[N:5]-[C:4]	1	2001
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6]:[c:8]:[n:7])-[C:9]>>[C:3](=[O:4])=[N:5]-[c:6]:[c:8]:[n:7].[C:1]-[N:2]-[C:9]	1	2017
+[C:1]-[C:2]-[O:3]-[C:4]>>[O:3](-[C:4])-[Si:9](-[C:6](-[C:5])(-[C:7])-[C:8])(-[C:10])-[C:11].[C:1]-[C:2]=[O:12]	1	2030
+[C:1]-[C:2](-[O:3])-[c:4]:1:[c:5]:[c:6]:[c:7](:[s:8]:1):[c:9]>>[C:1]-[C:2]=[O:3].[c:4]:1:[c:5]:[c:6]:[c:7](:[s:8]:1):[c:9]	1	2037
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1-[C:9]):[c:7]>>[C:1]-[C:2]=[O:10].[N:3]-[c:4](:[c:5](:[c:6])-[N:8]-[C:9]):[c:7]	1	2047
+[N+:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:1>>[N+:1]-[C:2](-[C:3]=[O:11])-[C:10]=[O:12].[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1-[N:9]	1	2050
+[C:1]-[C:2](-[C:3]=[O:4])-[N:5]-[C:6]>>[C:1]-[C:2](-[C:3]=[O:4])-[Cl:7].[N:5]-[C:6]	1	2051
+[c:1]:1-[C:2]=[C:3](-[C:4]=[O:5])-[C:6](=[O:7])-[O:8]-[c:9]:1>>[c:1](-[C:2]=[O:13]):[c:9]-[O:8].[C:3](-[C:4]=[O:5])-[C:6](=[O:7])-[O:12]-[C:11]-[C:10]	1	2056
+[O:1]=[C:2]-[N:3]-[N:4]-[C:5](=[S:6])-[N:7]-[c:8]>>[C:5](=[S:6])=[N:7]-[c:8].[O:1]=[C:2]-[N:3]-[N:4]	1	2061
+[C:1](=[O:2])(-[c:3]:1:[n:4]:[c:5](-[C:6](=[O:7])-[O:11]):[c:8]:[s:9]:1)-[O:10]>>[C:5](-[C:6](=[O:7])-[O:11])(-[C:8]-[Br:13])=[O:12].[C:1](=[O:2])(-[C:3](-[N:4])=[S:9])-[O:10]	1	2068
+[C:1]-[C:2]=[C:3]-[C:4]-[N:5](-[C:6])-[C:7](=[O:8])-[O:9]>>[C:1]-[C:2]=[C:3]-[C:4]-[Br:10].[N:5](-[C:6])-[C:7](=[O:8])-[O:9]	1	2073
+[C:1]-[C:2]=[C:3]-[C:4]-[N:5]-[c:6]>>[C:1]-[C:2]=[C:3]-[C:4]-[Br:7].[N:5]-[c:6]	1	2074
+[C:1]-[C:2]=[C:3]-[C:4]-[N:5](-[C:6])-[c:7]>>[C:1]-[C:2]=[C:3]-[C:4]-[Br:8].[N:5](-[C:6])-[c:7]	1	2075
+[C:1]-[N:2](-[C:3]-[C:4]=[C:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10])-[C:11]>>[C:3](-[C:4]=[C:5]-[C:6](=[O:7])-[O:12])-[Br:13].[C:1]-[N:2]-[C:11].[N:8](-[C:9])-[C:10]	1	2084
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])(-[C:7]-[C:8])-[C:10]-[C:9]>>[C:7](-[C:8])-[Br:11].[C:9]-[C:10]-[Br:12].[O:1]-[C:2](=[O:3])-[C:4]-[C:5]#[N:6]	1	2091
+[c:1]-[C:2](-[C:3]-[C:4])-[S:5]>>[C:3](-[C:4])-[Br:6].[c:1]-[C:2]-[S:5]	1	2094
+[C:1]-[C:2](=[O:3])-[O:4]-[c:5]:[c:6]-[O:7]-[C:8](-[C:9])=[O:10]>>[O:4]-[c:5]:[c:6]-[O:7].[C:1]-[C:2](=[O:3])-[O:11]-[C:8](-[C:9])=[O:10]	1	2121
+[c:1]-[S:2]-[C:3]-[Cl:4]>>[C:3](-[Cl:4])-[Br:5].[c:1]-[S:2]	1	2130
+[O:1]=[S:2](=[O:3])(-[c:4])-[C:5]-[c:6]>>[C:5](-[c:6])-[Br:7].[O:1]=[S:2](-[O:3])-[c:4]	1	2150
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])-[Br:4].[O:3]=[N+:8](-[C:6](-[C:5])-[C:7])-[O-:9]	1	2164
+[C:1]-[C:8](-[N:3](-[c:2])-[C:4]-[c:5](:[n:6]):[c:7])=[O:9]>>[C:4](-[c:5](:[n:6]):[c:7])-[Br:10].[C:1]-[C:8](-[N:3]-[c:2])=[O:9]	1	2170
+[C:1]-[C:2]#[C:3]-[C:4](-[O:5])-[C:6]>>[C:4](=[O:5])-[C:6].[C:1]-[C:2]#[C:3]	1	2176
+[O:1]-[C:2](-[C:3]#[C:4]-[C:5])-[O:6]>>[C:3]#[C:4]-[C:5].[O:1]-[C:2](-[O:6])-[O:9]-[C:8]-[C:7]	1	2179
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6]:[c:7]:[o:8]:1>>[C:1]-[C:2](=[O:3])-[O:9].[c:4]:1:[c:5]:[c:6]:[c:7]:[o:8]:1	1	2185
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[C:6]-[C:7](=[O:8])-[O:9])(-[C:10](=[O:11])-[O:12])-[C:13]-1>>[C:5](-[C:6]-[C:7](=[O:8])-[O:9])(-[C:10](=[O:11])-[O:12])=[C:13].[c:1]-[C:2]=[N:3]-[O:4]	1	2215
+[C:1]-[C:2](-[N:3]-[C:4]-[C:5](=[O:6])-[O:8])=[O:7]>>[N:3]-[C:4]-[C:5](=[O:6])-[O:8].[C:1]-[C:2](=[O:7])-[Br:9]	1	2218
+[c:1]:[c:5]:1:[n:4](:[c:3]:[c:2]):[c:9](:[c:7](:[n:6]:1)-[C:8])-[C:10]>>[C:7](-[C:8])(-[C:9](-[C:10])-[Br:12])=[O:11].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]	1	2222
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:2:[c:6]:1:[n:7]:[c:8](-[C:9]):[c:10]:2-[C:11]>>[C:8](-[C:9])(-[C:10](-[C:11])=[O:12])-[Br:13].[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:[c:6]:1-[N:7]	1	2223
+[C:1]-[c:2]:1:[c:3](-[C:4]):[n:5]:2:[n:6]:[c:7]:[c:8]:[c:9]:[c:10]:2:[n:11]:1>>[C:1]-[C:2](-[C:3](-[C:4])-[Br:13])=[O:12].[n:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:[c:10]:1-[N:11]	1	2224
+[c:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6](-[c:7]:[c:9]:[n:8]):[n:10]:1-[O:11]>>[C:4](-[C:5])(-[C:6](-[c:7]:[c:9]:[n:8])=[N:10]-[O:11])=[O:12].[N:3].[c:1]-[C:2]=[O:13]	1	2225
+[C:1]-[C:2](-[c:3]:1:[c:4]:[c:5](:[c:6](:[c:7]):[o:9]:1):[c:8])=[O:10]>>[C:1]-[C:2](-[C:3]-[Cl:11])=[O:10].[C:4](-[c:5](:[c:6](:[c:7])-[O:9]):[c:8])=[O:12]	1	2238
+[C:1]-[c:2]:1:[c:3]:[n:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2](-[C:3]-[Cl:12])=[O:11].[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1-[N:10]	1	2240
+[C:1]-[C:2](-[C:3]-[O:4]-[c:5]:[c:6]:[n:7])=[O:8]>>[C:1]-[C:2](-[C:3]-[Cl:9])=[O:8].[O:4]-[c:5]:[c:6]:[n:7]	1	2246
+[C:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[N:6]):[n:7]:1>>[C:1]-[C:2](-[C:3]-[Cl:9])=[O:8].[S:4]=[C:5](-[N:6])-[N:7]	1	2247
+[C:1]-[c:2]:1:[c:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[c:9]:1-[c:10]>>[C:1]-[C:2](-[C:3]-[Br:12])=[O:11].[n:4](:[c:5]:[c:6]):[c:8](:[c:7])-[C:9]-[c:10]	1	2253
+[C:1](=[O:2])(-[C:3]-[c:4]:1:[c:5]:[o:6]:[c:7](-[C:8]):[n:9]:1)-[O:10]>>[C:1](=[O:2])(-[C:3]-[C:4](-[C:5]-[Cl:12])=[O:11])-[O:10].[O:6]=[C:7](-[C:8])-[N:9]	1	2257
+[C:1]-[C:2](-[C:3]-[S:4]-[C:5])=[O:6]>>[C:1]-[C:2](-[C:3]-[Cl:7])=[O:6].[S:4]-[C:5]	1	2260
+[C:1](=[O:2])(-[C:3]-[c:4]:1:[c:5]:[n:6]:2:[n:7]:[c:8]:[s:9]:[c:10]:2:[n:11]:1)-[O:12]>>[C:1](=[O:2])(-[C:3]-[C:4](-[C:5]-[Cl:14])=[O:13])-[O:12].[n:6]:1:[n:7]:[c:8]:[s:9]:[c:10]:1-[N:11]	1	2264
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-1=[C:6](-[C:7])-[S:8]-[C:9]-2=[N:10]-[C:11](-[C:12])=[C:13]-[C:14](=[O:15])-[N:16]-1-2>>[C:11](-[C:12])(-[C:13]-[C:14](=[O:15])-[O:19]-[C:18]-[C:17])=[O:20].[O:1]-[C:2](=[O:3])-[C:4]-[c:5]:1:[c:6](-[C:7]):[s:8]:[c:9](-[N:10]):[n:16]:1	1	2266
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+[C:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6]-2-[C:7](-[C:8])=[C:9]-[C:10]=[C:11]-[C:12]-2=[N:13]-1>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:15]-[C:14])=[O:16].[n:6]:1:[c:7](-[C:8]):[c:9]:[c:10]:[c:11]:[c:12]:1-[N:13]	1	2789
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+[n:1]:[c:2]:[c:3](-[c:4](:[n:5]:[n:6]):[c:7]):[c:8]>>[n:1]:[c:2]:[c:3](:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:4](:[n:5]:[n:6])(:[c:7])-[Br:9]	1	2851
+[C:1]-[C:2]-[C:3]-[c:4](:[n:5]):[n:6]>>[C:1]-[C:2]#[C:3]-[c:4](:[n:5]):[n:6]	1	2852
+[c:1]:[c:3](:[c:2])-[S:4](=[O:5])(=[O:6])-[c:7]>>[c:1]:[c:3](:[c:2])-[I:8].[S:4](=[O:5])(-[O:6])-[c:7]	1	2855
+[C:1](-[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1)-[N:9](-[C:7])-[C:8]>>[C:1](=[N+:9]=[C:8]-[C:7])-[C:10].[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1	1	2864
+[C:1]-[C:2]-1=[C:3]-[C:4](=[C:5](-[C:6])-[C:7])-[C:8]=[C:9]-1>>[C:1]-[C:2]-1=[C:3]-[C:4]=[C:8]-[C:9]-1.[C:5](-[C:6])(-[C:7])=[O:10]	1	2868
+[c:1]-[C:2]=[C:3]-[c:4]>>[c:1]-[C:2](-[C:5]-[C:6])(-[O:7]-[P:8](=[O:9])-[O:10])-[C:13]-[C:12].[C:3](-[c:4])=[O:11]	1	2882
+[C:1]-[C:2](-[C:3])=[C:4]-1-[C:5]=[C:6]-[C:7]=[C:8]-1>>[C:1]-[C:2](-[C:3])=[O:9].[C:4]=1-[C:5]=[C:6]-[C:7]-[C:8]=1	1	2887
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[N:6]-[C:7](-[C:8])-[C:9]>>[C:7](-[C:8])(-[C:9])=[O:10].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[N:6]	1	2888
+[C:1]-[C:2](=[O:3])-[C:4](-[C:5])-[C:6]-[c:7]>>[C:1]-[C:2](=[O:3])-[C:4]-[C:5].[C:6](-[c:7])-[Br:8]	1	2889
+[C:1]-[C:2](-[N:3]-[c:4])-[c:5](:[c:6]):[s:7]>>[C:1]-[C:2](-[c:5](:[c:6]):[s:7])=[O:8].[N:3]-[c:4]	1	2890
+[c:1]:[c:2](-[C:3](-[C:4])-[C:5]):[n:6]:[c:7]:[c:8]>>[C:3](-[C:4])(-[C:5])-[Zn+:10].[c:1]:[c:2](:[n:6]:[c:7]:[c:8])-[Cl:9]	1	2913
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:8]:1)-[Br:9].[c:5](:[c:6])(:[c:7])-[Br:10]	1	2926
+[c:1]:[c:4]:1:[n:3](:[n:2]):[c:7](:[c:6]:[n:5]:1)-[c:8]:2:[c:9]:[c:10]:[c:11]:[s:12]:2>>[c:1]:[c:4]:1:[n:3](:[n:2]):[c:7]:[c:6]:[n:5]:1.[c:8]:1(:[c:9]:[c:10]:[c:11]:[s:12]:1)-[Br:13]	1	2927
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:9]:[c:8](:[n:5]:1-[C:6]-[C:7](=[O:10])-[O:11])-[Cl:12]>>[c:1]:[c:4]-1:[c:3](:[c:2])-[N:9]-[C:8](-[N:5]-1-[C:6]-[C:7](=[O:10])-[O:11])=[O:17].[Cl:12]-[P:14](=[O:13])(-[Cl:15])-[Cl:16]	1	2928
+[c:1]-[N:4](-[C:3](-[N:2])=[O:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]>>[c:1]-[N:4]-[C:3](-[N:2])=[O:5].[C:6]-[C:7](-[C:8])(-[C:9])-[O:10]-[C:11](=[O:12])-[O:20]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]	1	2934
+[C:1]-[O:2]-[C:3](=[O:4])-[Cl:5]>>[C:1]-[O:2].[C:3](-[O:4]-[C:7](-[Cl:8])(-[Cl:9])-[Cl:10])(-[Cl:5])=[O:6]	1	2944
+[C:1]-[C:2]-[C:3](-[C:4]#[N:5])-[c:6]>>[C:1]-[C:2]-[Br:7].[C:3](-[C:4]#[N:5])-[c:6]	1	2961
+[C:1]=[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]=[C:2]-[B:12](-[O:11]-[C:10]-[C:9]-[C:8]-[C:7])-[O:13]-[C:14]-[C:15]-[C:16]-[C:17].[c:3](:[c:4])(:[c:5])-[Br:6]	1	2966
+[c:1]:[c:2](-[C:3]=[C:15]):[n:4]:[n:5]>>[C:3](=[C:15])-[Sn:20](-[C:6]-[C:7]-[C:8]-[C:9])(-[C:10]-[C:11]-[C:12]-[C:13])-[C:19]-[C:18]-[C:17]-[C:16].[c:1]:[c:2](:[n:4]:[n:5])-[Cl:14]	1	2980
+[C:1]=[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]=[C:2]-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:8]	1	2982
+[C:1](-[c:2](:[c:3]):[c:5]:[c:4]:[n:6])=[C:7]>>[C:1](=[C:7])-[Sn:8](-[C:9]-[C:10]-[C:11]-[C:12])(-[C:13]-[C:14]-[C:15]-[C:16])-[C:21]-[C:20]-[C:19]-[C:18].[c:2](:[c:3])(:[c:5]:[c:4]:[n:6])-[Br:17]	1	2984
+[n:1]:[c:7](:[c:2]):[c:4](:[c:3])-[C:5]=[C:6]>>[C:5](=[C:6])-[Sn:21](-[C:8]-[C:9]-[C:10]-[C:11])(-[C:12]-[C:13]-[C:14]-[C:15])-[C:20]-[C:19]-[C:18]-[C:17].[n:1]:[c:7](:[c:2]):[c:4](:[c:3])-[Br:16]	1	2992
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[C:6]=[C:7]):[n:8]:1>>[C:6](=[C:7])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:8]:1)-[Cl:22]	1	2998
+[C:1]=[C:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]=[C:2]-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Br:9]	1	2999
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6](:[c:5]):[n:7]):[c:8]>>[c:3](:[c:4])(:[c:6](:[c:5]):[n:7])-[Br:9].[c:1]:[c:2](:[c:8])-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22]	1	3000
+[c:1](:[n:2]:[c:3](-[c:4]:1:[c:5]:[c:6]:[c:7]:[o:8]:1):[c:9]):[c:10]>>[c:1](:[n:2]:[c:3](:[c:9])-[Cl:24]):[c:10].[c:4]:1(:[c:5]:[c:6]:[c:7]:[o:8]:1)-[Sn:15](-[C:14]-[C:13]-[C:12]-[C:11])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23]	1	3005
+[c:1]:[c:3](:[c:2])-[c:4]:1:[c:5]:[c:6]:[c:7]:[o:8]:1>>[c:4]:1(:[c:5]:[c:6]:[c:7]:[o:8]:1)-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22].[c:1]:[c:3](:[c:2])-[Br:9]	1	3006
+[n:1]:[c:13]:1:[c:3](:[n:2]):[c:4](-[c:5]:2:[c:6]:[c:7]:[c:8]:[o:9]:2):[n:10]:[c:11]:[n:12]:1>>[c:5]:1(:[c:6]:[c:7]:[c:8]:[o:9]:1)-[Sn:15](-[C:14]-[C:27]-[C:26]-[C:25])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23].[n:1]:[c:13]:1:[c:3](:[n:2]):[c:4](:[n:10]:[c:11]:[n:12]:1)-[Cl:24]	1	3007
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[c:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1>>[c:6]:1(:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Sn:23](-[C:14]-[C:15]-[C:16]-[C:17])(-[C:22]-[C:21]-[C:20]-[C:19])-[C:24]-[C:25]-[C:12]-[C:13].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Cl:18]	1	3008
+[c:1](:[n:2]:[c:3](-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1):[c:10]):[c:11]>>[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Sn:25](-[C:12]-[C:13]-[C:14]-[C:15])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:24]-[C:23]-[C:22]-[C:21].[c:1](:[n:2]:[c:3](:[c:10])-[Br:20]):[c:11]	1	3009
+[c:1](:[c:2]):[n:10]:[c:4](:[c:3])-[c:5]:1:[c:6]:[c:7]:[n:8]:[s:9]:1>>[c:5]:1(:[c:6]:[c:7]:[n:8]:[s:9]:1)-[Sn:15](-[C:14]-[C:13]-[C:12]-[C:11])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23].[c:1](:[c:2]):[n:10]:[c:4](:[c:3])-[Cl:24]	1	3010
+[c:1]:[c:2]:[n:3]:[c:4](-[c:5]:1:[c:6]:[n:7]:[c:8]:[s:9]:1):[c:10]>>[c:5]:1(:[c:6]:[n:7]:[c:8]:[s:9]:1)-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[c:1]:[c:2]:[n:3]:[c:4](:[c:10])-[Br:11]	1	3011
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:1):[c:8]>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:1)-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22].[c:1]:[c:2](:[c:8])-[Br:9]	1	3012
+[c:1]:[c:3](:[c:2])-[c:4]:1:[c:5]:[c:6]:[c:7]:[s:8]:1>>[c:1]:[c:3](:[c:2])-[I:22].[c:4]:1(:[c:5]:[c:6]:[c:7]:[s:8]:1)-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21]	1	3013
+[N:1]-[C:2](=[O:3])-[C:4]-[c:7]:1:[c:6](-[c:5]):[n:12]:[c:11](:[c:8]:1:[c:9]):[c:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[C:7]-[C:6](-[c:5])=[O:14].[c:8](:[c:9]):[c:11](:[c:10])-[N:12]-[N:13]	1	3017
+[N:1]-[C:2](=[O:3])-[C:4]-[O:5]-[N:6]=[C:7]>>[N:1]-[C:2](=[O:3])-[C:4]-[Cl:8].[O:5]-[N:6]=[C:7]	1	3019
+[N:1]-[C:2](=[O:3])-[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[N:1]-[C:2](=[O:3])-[Cl:10].[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1	1	3022
+[c:1]:[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[c:7](-[O:8]):[c:9]:1:[c:10]>>[c:1]:[c:2](-[C:3]):[c:9](-[C:7](=[O:8])-[N:13](-[C:12]-[C:11])-[C:14]-[C:15]):[c:10].[C:4](-[C:5])#[N:6]	1	3025
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[N:6]):[s:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:8]):[s:7].[N:5]-[N:6]	1	3028
+[N:1]-[C:2](-[N:3])=[C:7](-[C:5](=[S:4])-[N:6])-[C:8]>>[N:1]-[C:2](-[N:3])=[C:7](-[C:5]#[N:6])-[C:8].[S:4]	1	3032
+[c:1]-[C:2](-[N:3])=[O:4]>>[N:3](-[C:6]-[C:5])(-[C:7]-[C:8])-[C:9]-[C:10].[c:1]-[C:2](=[O:4])-[O:11]	1	3039
+[N:1](-[c:2])(-[S:8](=[O:3])(-[C:7])=[O:9])-[S:11](-[C:10])(=[O:12])=[O:13]>>[C:4]-[C:17]-[N:16](-[C:5]-[C:10])-[C:15]-[C:14].[O:3]=[S:8](-[Cl:6])(-[C:7])=[O:9].[N:1]-[c:2]	1	3040
+[C:1](-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7])-[O:8]-[S:9](-[C:10])(=[O:11])=[O:12]>>[C:10]-[C:18]-[N:15](-[C:14]-[C:13])-[C:16]-[C:17].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:19].[C:1](-[C:2]-[O:3])-[O:8]	1	3041
+[C:1]-[C:2](-[S:3]-[C:4])-[S:6]-[C:5]>>[S:3]-[C:4].[C:5]-[S:6].[C:1]-[C:2]=[O:7]	1	3043
+[C:1]#[C:2]-[C:3]-[O:4]-[C:5](=[O:6])-[C:7]>>[C:1]#[C:2]-[C:3]-[O:4].[C:5](=[O:6])(-[C:7])-[O:8]	1	3045
+[c:1]-[C:2](=[S:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[S:3])-[N:6].[N:4]-[C:5]	1	3047
+[c:1]-[C:2](-[C:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[N:7](-[O:6]-[C:5])-[C:8].[C:3]-[Mg:10]-[Cl:9]	1	3077
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]>>[c:1]:[c:2](-[C:3]=[O:6]):[n:5].[N:4]-[O:7]	1	3084
+[s:1]:[c:2](-[N:3]=[C:4]-[c:5](:[c:6]):[s:7]):[c:8]>>[s:1]:[c:2](-[N:3]):[c:8].[C:4](-[c:5](:[c:6]):[s:7])=[O:9]	1	3085
+[N:1]-1-[C:2]=[C:3]-[N:4]=[C:5](-[c:6](:[c:7]):[c:8])-[C:9]-1=[O:10]>>[N:1]-1-[C:2]=[C:3]-[N:4]=[C:5](-[C:9]-1=[O:10])-[Br:11].[c:6](:[c:7])(:[c:8])-[B:13](-[O:12])-[O:14]	1	3091
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]-[C:6]-[C:7]-[O:8]-[c:9]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5]-[C:6]-[C:7]-[Cl:10])-[Br:11].[O:8]-[c:9]	1	3093
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]:1:[c:6]:[n:7]:[c:8]:[n:9]:1>>[C:1]-[N:2]-[C:3].[C:4]=[O:10].[c:5]:1:[c:6]:[n:7]:[c:8]:[n:9]:1	1	3100
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5]-[N:6]=[C:7]-2-[c:8](:[c:9](:[c:10])-[N:12]=[C:13]-[N:14]-2-[C:15]-1=[O:16]):[c:11]>>[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[N:6]-[c:7]:1:[c:8](:[c:9](:[c:10]):[n:12]:[c:13]:[n:14]:1):[c:11])-[C:15](=[O:16])-[O:19]-[C:18]-[C:17]	1	3155
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5]-[c:6])-[C:7](=[O:8])-[O:9]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:7](=[O:8])-[O:9])-[Br:10].[O:5]-[c:6]	1	3156
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7](:[c:8]):[o:10]:1):[c:9]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:14](-[O:13]-[C:12]-[C:11])=[O:15])-[Br:16].[C:5](-[c:6](:[c:7](:[c:8])-[O:10]):[c:9])=[O:17]	1	3157
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:14]):[c:6](-[O:7]):[c:8]:2:[c:9]:[c:10]:[n:11]:[c:12]:[c:13]:1:2>>[N:1](-[C:2]=[C:3](-[C:4](=[O:5])-[O:14])-[C:6](=[O:7])-[O:17]-[C:16]-[C:15])-[c:13]:1:[c:8]:[c:9]:[c:10]:[n:11]:[c:12]:1	1	3161
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:[c:11]:1)-[Cl:12]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[O:15]-[C:14]-[C:13])=[O:16])=[C:11]-[N:10]-[c:9](:[c:6]:[c:7]):[c:8].[Cl:12]-[P:18](=[O:17])(-[Cl:19])-[Cl:20]	1	3162
+[c:1]:1(:[c:2]:[c:3](-[C:4](=[O:5])-[O:6]):[n:7]:[n:8]:1-[c:9])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17]>>[C:1]-1(-[C:2]-[C:3](-[C:4](=[O:5])-[O:6])=[N:7]-[N:8]-1-[c:9])=[O:13].[O:10]=[S:11](=[O:12])(-[C:14](-[F:15])(-[F:16])-[F:17])-[N:21](-[S:19](=[O:18])(=[O:20])-[C:28](-[F:29])(-[F:30])-[F:31])-[c:22]:1:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:1	1	3165
+[c:1]-[N:2]-[C:3]-1=[C:4](-[C:5])-[C:6](=[O:7])-[N:8]-[C:9](-[C:10])=[C:11]-1-[C:12](=[O:13])-[O:14]>>[C:3]-1(=[C:4](-[C:5])-[C:6](=[O:7])-[N:8]-[C:9](-[C:10])=[C:11]-1-[C:12](=[O:13])-[O:14])-[Cl:15].[c:1]-[N:2]	1	3166
+[C:1](=[C:2])-[C:6](=[C:4](-[N:3])-[C:5])-[C:7](=[O:8])-[N:9]-[O:10]>>[N:9]-[O:10].[C:1](=[C:2])-[C:6](=[C:4](-[N:3])-[C:5])-[C:7](=[O:8])-[O:13]-[C:12]-[C:11]	1	3168
+[c:1]-[C:2]-1-[C:3]-[C:4](=[O:5])-[C:6]=[C:7](-[O:8])-[C:9]-1>>[C:7](=[O:8])(-[C:9]-[C:13](-[O:12]-[C:11]-[C:10])=[O:14])-[O:15]-[C:16]-[C:17].[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[C:6]	1	3178
+[c:1]-[C:2]-1-[C:3]-[C:4](=[O:5])-[C:6]-[C:7](-[C:8]-1)=[O:10]>>[C:7](-[C:8]-[C:14](-[O:13]-[C:12]-[C:11])=[O:15])(=[O:10])-[O:16]-[C:17]-[C:9].[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[C:6]	1	3179
+[c:1]:1:[n:2]:[c:3]:2:[c:4](:[c:5]:[c:6](-[C:7](=[O:8])-[O:14]):[c:9](-[O:10]):[n:11]:2):[c:12]:[n:13]:1>>[C:6](-[C:7](=[O:8])-[O:14])-[C:9](=[O:10])-[O:17]-[C:16]-[C:15].[c:1]:1:[n:2]:[c:3](:[c:4](-[C:5]=[O:18]):[c:12]:[n:13]:1)-[N:11]	1	3180
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+[C:1]-[C:2]-[C:3](-[C:4](=[O:5])-[O:6])-[C:8](-[O:7])=[O:9]>>[C:3](-[C:4](=[O:5])-[O:6])-[C:8](-[O:7])=[O:9].[C:1]-[C:2]-[O:14]-[S:11](-[C:10])(=[O:12])=[O:13]	1	3187
+[c:1]:[c:2](-[C:3](-[C:4](=[O:5])-[O:8])-[C:10](-[O:9])=[O:11]):[c:6]:[n:7]>>[C:3](-[C:4](=[O:5])-[O:8])-[C:10](-[O:9])=[O:11].[c:1]:[c:2](:[c:6]:[n:7])-[Br:12]	1	3189
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[O:8]>>[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[O:8])-[O:11]-[C:10]-[C:9].[c:1]-[N:2]	1	3190
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5]-[C:6](=[C:7](-[C:8](-[N:9])=[O:15])-[N:11](-[C:12])-[C:13]-1=[O:14])-[C:10]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:13](=[O:14])-[O:18]-[C:17]-[C:16].[C:5](-[C:6](=[C:7](-[C:8](-[N:9])=[O:15])-[N:11]-[C:12])-[C:10])=[O:19]	1	3198
+[C:1]-1=[C:2](-[O:3])-[C:4]-[C:5](-[c:6])-[C:7]-[C:8]-1=[O:9]>>[C:7](-[C:8](=[O:9])-[O:15]-[C:16]-[C:17])-[C:13](-[O:12]-[C:11]-[C:10])=[O:14].[C:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]	1	3200
+[n:1]:1(:[n:2]:[c:3](-[O:4]-[C:5]):[c:6](:[c:7]):[c:9]:1:[c:8])-[C:10](=[O:11])-[O:13]>>[N:1]-1(-[N:2]-[C:3](=[O:4])-[c:6](:[c:7]):[c:9]-1:[c:8])-[C:10](=[O:11])-[O:13].[C:5]-[I:12]	1	3211
+[c:1]:1:[c:2]:[c:3]:[c:4]:[s:5]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:5]:1)-[N:6]	1	3220
+[c:1]:[c:2]:1:[n:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[F:8]):[c:9](-[C:10]):[n:11]:1:[c:12]:[c:13]>>[c:1]:[c:2](-[N:3]):[n:11]:[c:12]:[c:13].[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])(-[C:9](-[C:10])-[Br:15])=[O:14]	1	3232
+[C:1](-[N:2]-[C:3](=[O:4])-[N:5]-[c:6])-[C:7](=[O:8])-[N:9]>>[N:5]-[c:6].[C:1](-[N:2])-[C:7](=[O:8])-[N:9].[C:3](=[O:4])(-[O:14]-[C:11](-[Cl:10])(-[Cl:12])-[Cl:13])-[O:15]-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19]	1	3249
+[c:1]-[C:2](-[C:5]-[C:3]#[N:4])=[O:6]>>[c:1]-[C:2](=[O:6])-[O:9]-[C:8]-[C:7].[C:3](#[N:4])-[C:5]	1	3252
+[n:1]:1:[c:2]:[c:3]:[c:4](-[S:5]-[c:6]):[c:7]:1>>[S:5]-[c:6].[n:1]:1:[c:2]:[c:3]:[c:4]:[c:7]:1	1	3253
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[Cl:6]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1.[Cl:6]-[C:8]-[Cl:7]	1	3272
+[C:1]-1(=[C:2](-[C:3])-[C:4](=[O:5])-[N:6]-[C:7](-[C:8])=[C:9]-1-[C:10](=[O:11])-[O:12])-[Cl:13]>>[C:1]-1(=[C:2](-[C:3])-[C:4](=[O:5])-[N:6]-[C:7](-[C:8])=[C:9]-1-[C:10](=[O:11])-[O:12])-[O:18].[Cl:13]-[P:15](=[O:14])(-[Cl:16])-[Cl:17]	1	3289
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6](=[O:7])-[O:11]):[c:8](-[C:9]):[n:10]:1>>[C:1]-[C:2](=[N:3])-[N:10].[C:4](=[C:5](-[C:6](=[O:7])-[O:11])-[C:8](-[C:9])=[O:15])-[N:13](-[C:12])-[C:14]	1	3305
+[O:1]-[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6]:2:[c:7]:1:[c:8]:[c:9]:[n:10]:2>>[O:1]=[C:2](-[c:7]:1:[c:6](-[N:5]):[n:10]:[c:9]:[c:8]:1)-[O:13]-[C:12]-[C:11].[N:3]-[C:4]=[N:14]	1	3329
+[C:1](-[c:2]:[c:3]:[o:4])-[O:5]>>[C:1](-[c:2]:[c:3]:[o:4])(=[O:5])-[O:8]-[C:7]-[C:6]	1	3345
+[C:1]-[S:2](=[O:3])(=[O:4])-[C:5]>>[C:1]-[S:2]-[C:5].[O:3]=[C:12](-[O:6])-[O:11].[O:4]-[O:10]-[S:8](=[O:7])-[O:9]	1	3357
+[c:1]:1:[c:2]:[c:3](-[C:4](-[C:5])-[C:6]):[c:7]:[n:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:7]:[n:8]:1.[C:4](-[C:5])(-[C:6])=[O:9]	1	3358
+[n:1]:[c:2]:[c:3]-[C:4]-[O:5]-[C:6]>>[n:1]:[c:2]:[c:3]-[C:4]-[Br:7].[O:5]-[C:6]	1	3400
+[c:1]:[c:2]:1-[N:3]=[C:4](-[n:5](:[c:6]:[c:7]):[n:8])-[N:9](-[C:10]-[O:11])-[C:12](=[O:13])-[c:14]:1:[c:15]>>[c:1]:[c:2]:1:[n:3]:[c:4](-[n:5](:[c:6]:[c:7]):[n:8]):[n:9]:[c:12](-[O:13]):[c:14]:1:[c:15].[C:10](-[O:11])-[Cl:16]	1	3414
+[c:1](-[C:2]=[O:3]):[c:4]:[n:5]>>[c:1](-[C:2]=[C:6]):[c:4]:[n:5].[O:3]	1	3432
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7](:[c:8]):[n:9]:1>>[c:1]:1:[n:2]:[c:3](:[c:7](:[c:8]):[n:9]:1)-[Br:10].[c:4](:[c:5])(:[c:6])-[B:12](-[O:11])-[O:13]	1	3434
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[c:8]):[n:9]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:12]-[C:11]-[C:10]):[n:9].[N:5]-[c:6](:[n:7]):[c:8]	1	3435
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:6]:1:[c:5]>>[n:1]:1(:[n:2]:[c:3]:[c:4]:[c:6]:1:[c:5])-[C:7](=[O:8])-[O:11]-[C:10]-[C:9]	1	3456
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]>>[C:1]-[C:2](-[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[Cl:13])=[O:12].[N:10]-[C:11]	1	3457
+[O:1]-[C:2](-[C:3](=[O:6])-[O:7])=[C:4]-[c:5]>>[O:1]-[C:2]-[C:3](=[O:6])-[O:7].[C:4](-[c:5])=[O:8]	1	3458
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]-[C:12]#[C:13]>>[C:1]-[C:2](-[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[C:11]-[C:12]#[C:13])=[O:14]	1	3459
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[C:1]-[C:2]#[C:3].[C:4](-[C:5])(=[N:6]-[O:7])-[Cl:8]	1	3460
+[n:1]:[c:4]:1:[c:3](:[n:2]):[c:12]:[n:11]:[c:6]-2:[c:5]:1-[C:10]-[C:9]-[C:8]-[C:7]-2>>[n:1]:[c:4]:1:[c:3](:[n:2]):[c:12]:[n:11]:[c:6]:2:[c:5]:1:[c:10]:[c:9]:[c:8]:[c:7]:2	1	3463
+[N:1]-[C:2](=[O:3])-[C:4]=[C:5]-[C:6]>>[N:1]-[C:2](=[O:3])-[C:4]-[P:10](-[O:9]-[C:8]-[C:7])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[C:6])(-[O:17]-[C:16]-[C:15])-[O:18]-[C:19]-[C:20]	1	3464
+[c:1]-[C:2]=[C:3]-[C:4]=[C:5]-[C:6]>>[C:3](-[C:4]=[C:5]-[C:6])-[P:10](-[O:9]-[C:8]-[C:7])(=[O:11])-[O:12]-[C:13]-[C:14].[c:1]-[C:2]=[O:15]	1	3465
+[n:1]:[c:2](-[N:3]):[n:4]>>[n:1]:[c:2](-[N:3]-[C:6]=[O:5]):[n:4]	1	3470
+[C:1](-[C:2]-[C:3]-[c:4])(=[O:5])-[O:10]>>[C:1](-[C:2]-[P:14](-[O:6]-[C:7]-[C:8])(-[O:13]-[C:12]-[C:11])=[O:15])(=[O:5])-[O:10].[C:3](-[c:4])=[O:9]	1	3490
+[c:1]-[C:2](=[C:3]-[C:4](=[O:6])-[O:7])-[c:5]>>[C:3](-[C:4](=[O:6])-[O:7])-[P:11](-[O:10]-[C:9]-[C:8])(=[O:12])-[O:13]-[C:14]-[C:15].[c:1]-[C:2](-[c:5])=[O:16]	1	3500
+[C:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[C:2]-[Sn:9](-[C:8]-[C:7])(-[C:10]-[C:11])-[C:12]-[C:13].[c:3](:[c:4])(:[c:5])-[Br:6]	1	3519
+[C:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[C:2]-[Zn:9]-[C:8]-[C:7].[c:3](:[c:4])(:[c:5])-[Br:6]	1	3521
+[C:1]-[C:2]-[c:3](:[n:4]:[c:5](:[c:6]):[c:7]):[c:8]>>[C:1]-[C:2]-[Zn:11]-[C:10]-[C:9].[c:3](:[n:4]:[c:5](:[c:6]):[c:7])(:[c:8])-[Cl:12]	1	3523
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2]#[N:6].[O:3]-[C:5].[O:4]	1	3530
+[c:1]:1:[n:2]:[n:3]:[c:4]:2-[C:5](-[N:6]-[c:7](:[c:8]):[c:10](:[c:9])-[n:11]:1:2)=[O:12]>>[c:1]:1:[n:2]:[n:3]:[c:4]:2:[c:5](:[n:6]:[c:7](:[c:8]):[c:10](:[c:9]):[n:11]:1:2)-[O:12]-[C:13]	1	3546
+[N:1]-[C:2](=[N:3]-[C:4]#[N:5])-[C:6]=[C:7]-[C:8]>>[N:1]-[C:2](-[C:6]=[C:7]-[C:8])=[S:9].[N:3]-[C:4]#[N:5]	1	3552
+[C:1]-[N:3](-[C:2])-[c:4]:1:[n:5]:[c:6]:[n:7]:[c:8](-[c:9](:[c:10]):[c:11]):[c:12]:1>>[C:1]-[N:3]-[C:2].[c:9](:[c:10])(:[c:11])-[B:16](-[O:15])-[O:17].[c:4]:1(:[n:5]:[c:6]:[n:7]:[c:8](:[c:12]:1)-[Cl:14])-[Cl:13]	1	3569
+[c:1]-[S:2](=[O:3])(=[O:4])-[C:5]-[C:6]>>[C:5](-[C:6])-[O:8].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	3579
+[C:1](-[C:2]-[N:3]-[c:4]:1:[c:5](:[n:6]):[c:8](:[n:7]):[n:9]:[c:10]:[c:11]:1)=[C:12]>>[C:1](-[C:2]-[N:3])=[C:12].[c:4]:1(:[c:5](:[n:6]):[c:8](:[n:7]):[n:9]:[c:10]:[c:11]:1)-[Cl:13]	1	3582
+[C:1]=[C:2]-[C:3]-[C:4]#[C:5]-[C:6]>>[C:1]=[C:2]-[C:3]-[Br:7].[C:4]#[C:5]-[C:6]	1	3585
+[C:1](=[O:2])-[O:3]-[C:6]-[C:5]=[C:4]>>[C:1](=[O:2])-[O:3].[C:4]=[C:5]-[C:6]-[Br:7]	1	3586
+[C:1]=[C:2]-[C:3]-[N:4]-1-[C:5](=[O:6])-[C:7]=[C:8]-[c:9](:[c:10]):[c:12]-1:[c:11]>>[n:4]:1:[c:5](-[O:6]):[c:7]:[c:8]:[c:9](:[c:10]):[c:12]:1:[c:11].[C:1]=[C:2]-[C:3]-[Br:13]	1	3587
+[C:1]=[C:2]-[C:3]-[S:4]-[c:5]>>[S:4]-[c:5].[C:1]=[C:2]-[C:3]-[Br:6]	1	3589
+[C:1]=[C:2]-[C:3]-[O:4]-[C:5](=[O:6])-[C:7]=[C:8]>>[C:1]=[C:2]-[C:3]-[Br:9].[O:4]-[C:5](=[O:6])-[C:7]=[C:8]	1	3591
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5]-[C:6]=[C:9])(-[C:7])-[C:8]>>[C:5](-[C:6]=[C:9])-[Br:10].[O:1]-[C:2](=[O:3])-[C:4](-[C:7])-[C:8]	1	3593
+[C:1]-[C:2](=[O:3])-[O:4]-[C:7]-[C:6]=[C:5]>>[C:5]=[C:6]-[C:7]-[Br:8].[C:1]-[C:2](=[O:3])-[O:4]	1	3600
+[C:1]=[C:2]-[C:3]-[N:4]-[c:5]:[c:7]:[n:6]>>[C:1]=[C:2]-[C:3]-[Br:8].[N:4]-[c:5]:[c:7]:[n:6]	1	3606
+[C:1]=[C:2]-[C:3]-[N:4]-1-[C:5](=[O:6])-[N:7]-[C:8]-[C:9]=[C:10]-1-[C:11]>>[C:1]=[C:2]-[C:3]-[Br:12].[N:4]-1-[C:5](=[O:6])-[N:7]-[C:8]-[C:9]=[C:10]-1-[C:11]	1	3613
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5])-[c:6](:[n:7]):[c:8]>>[C:1]=[C:2]-[C:3]-[Br:9].[N:4](-[C:5])-[c:6](:[n:7]):[c:8]	1	3614
+[C:1]=[C:2]-[C:3]-[N:4]-[c:5]>>[C:1]=[C:2]-[C:3]-[Br:6].[N:4]-[c:5]	1	3616
+[C:1]=[C:2]-[C:3]-[n:4]:1:[n:5]:[c:6](:[c:7]):[c:8]:[c:9]:1>>[C:1]=[C:2]-[C:3]-[Br:10].[n:4]:1:[n:5]:[c:6](:[c:7]):[c:8]:[c:9]:1	1	3622
+[C:1]=[C:2]-[C:3]-[n:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1:[c:9]>>[C:1]=[C:2]-[C:3]-[Br:10].[n:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1:[c:9]	1	3626
+[C:1]=[C:2]-[C:3]-[n:4]:1:[c:5]:[c:6]:[c:7]:[c:10]:1:[c:9]:[n:8]>>[C:1]=[C:2]-[C:3]-[Br:11].[n:4]:1:[c:5]:[c:6]:[c:7]:[c:10]:1:[c:9]:[n:8]	1	3628
+[C:1](-[C:2]-[C:3](-[O:4])-[C:5])=[C:6]>>[C:1](-[C:2]-[Br:7])=[C:6].[C:3](=[O:4])-[C:5]	1	3636
+[C:1]=[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]=[C:2]-[C:3]-[Br:7].[c:4](:[c:5]):[c:6]	1	3640
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:6]-[C:5]=[C:4].[C:1]-[C:2]-[O:7]	1	3642
+[C:1]=[C:2]-[C:3]-[C:4](-[C:5])-[C:6](=[O:7])-[N:8]>>[C:1]=[C:2]-[C:3]-[Br:9].[C:4](-[C:5])-[C:6](=[O:7])-[N:8]	1	3649
+[C:1]=[C:2]-[C:3]-[O:4]-[C:5]-[C:6]=[C:7]>>[C:1]=[C:2]-[C:3]-[Br:8].[O:4]-[C:5]-[C:6]=[C:7]	1	3651
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[C:6]=[C:7]>>[c:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[C:6]=[C:7])-[Cl:8]	1	3657
+[C:1]-[C:2]=[C:3]-[C:4]-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:1]-[C:2]=[C:3]-[C:4]-[Br:9].[S:5](=[O:6])(-[O:7])-[c:8]	1	3658
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[O:12]):[c:7](:[c:8]):[n:11]:1:[c:10]:[c:9]>>[C:4](-[C:5](=[O:6])-[O:12])-[c:7](:[c:8]):[n:11]:[c:10]:[c:9].[C:1]-[C:2](-[C:3]=[O:13])-[Br:14]	1	3674
+[c:1]-[c:2]:1:[n:3]:[n:4]:2:[c:5](-[C:6]):[c:7]:[n:8]:[c:9]:2:[n:10]:[c:11]:1>>[C:5](-[C:6])(-[C:11]=[O:12])-[Cl:13].[c:1]-[c:2]:1:[n:3]:[n:4]:[c:9](:[n:8]:[c:7]:1)-[N:10]	1	3675
+[c:1]:[c:2](-[C:3]-[C:4](-[Cl:5])-[C:6]=[O:7]):[c:8]>>[C:3]=[C:4]-[C:6]=[O:7].[Cl:5].[c:1]:[c:2](:[c:8])-[N:9]	1	3676
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:[c:7]:1:[c:8]>>[C:4](-[C:5]=[C:6])=[O:9].[c:1]:[c:2](-[N:3]):[c:7]:[c:8]	1	3677
+[n:1]:[c:2]:[c:3]-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1>>[C:8]=[O:9].[C:5](-[C:6]=[O:11])=[O:10].[n:1]:[c:2]:[c:3]-[N:4].[N:7]	1	3678
+[c:1]-[n:2]:1:[c:3]:[c:4]:[n:5]:[c:6]:1>>[C:4]=[O:7].[C:3](-[C:6]=[O:9])=[O:8].[N:5].[c:1]-[N:2]	1	3680
+[c:1]:1:[c:2]:[c:3]:2:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:2:[c:9]:[n:10]:1>>[C:5](-[C:6]=[O:12])=[O:11].[c:1]:1:[c:2]:[c:3](-[N:4]):[c:8](-[N:7]):[c:9]:[n:10]:1	1	3683
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]=[C:9]-1-[N:10]-[C:11](=[O:12])-[N:13](-[C:14]-[C:15])-[C:16]=[C:17]-1>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:9]:1:[n:10]:[c:11](-[O:12]):[n:13]:[c:16]:[c:17]:1.[C:14](-[C:15])-[Br:18]	1	3692
+[C:1]-[C:2]-[N:3]-1-[C:4]=[C:5]-[C:6](-[N:7]-[C:8](=[O:9])-[C:10])=[C:11]-[C:12]-1=[O:13]>>[C:1]-[C:2]-[Br:14].[n:3]:1:[c:4]:[c:5]:[c:6](-[N:7]-[C:8](=[O:9])-[C:10]):[c:11]:[c:12]:1-[O:13]	1	3693
+[C:1]=[C:2]-[C:3]-[C:4](-[C:5](=[O:6])-[C:7])-[c:8]>>[C:1]=[C:2]-[C:3]-[Br:9].[C:4](-[C:5](=[O:6])-[C:7])-[c:8]	1	3696
+[C:1](-[C:2]-[C:3]-[O:4]-[c:5])(=[O:6])-[O:7]>>[C:1](-[C:2]-[C:3]-[Br:8])(=[O:6])-[O:7].[O:4]-[c:5]	1	3699
+[c:1]-[O:2]-[C:3]-[C:4]-[C:5]-[C:6]-[N:7](-[C:8])-[C:9]>>[N:7](-[C:8])-[C:9].[C:3](-[C:4]-[C:5]-[C:6]-[Cl:10])-[Br:11].[c:1]-[O:2]	1	3703
+[c:1]:1:[c:2](:[c:3]):[n:4](-[C:5]-[C:6]):[n:7]:[n:8]:1>>[C:5](-[C:6])-[Br:9].[c:1]:1:[c:2](:[c:3]):[n:4]:[n:7]:[n:8]:1	1	3709
+[O:1]-[C:2](=[O:3])-[C:4]-1(-[c:5]:[c:7]:[n:6])-[C:8]-[C:9]-1>>[O:1]-[C:2](=[O:3])-[C:4]-[c:5]:[c:7]:[n:6].[C:8](-[C:9]-[Br:11])-[Cl:10]	1	3713
+[N:1]-1-[C:2]=[C:3]-[N:4]=[C:5](-[N:6]-[C:7])-[C:12]-1=[O:13].[c:8]-[O:9]-[C:10]-[C:11]>>[C:10](-[C:11])-[Br:14].[N:1]-1-[C:2]=[C:3]-[N:4]-[C:5](=[N:6]-[C:7])-[C:12]-1=[O:13].[c:8]-[O:9]	1	3717
+[N:1]-1-[C:2]=[C:3]-[N:4]-[C:5](=[N:6]-[C:7])-[C:12]-1=[O:13].[c:8]-[O:9]-[C:10]-[C:11]>>[C:10](-[C:11])-[Br:14].[N:1]-1-[C:2]=[C:3]-[N:4]=[C:5](-[N:6]-[C:7])-[C:12]-1=[O:13].[c:8]-[O:9]	1	3718
+[N:1]-[C:2](=[O:3])-[C:4]-1(-[C:5]-[C:6]-1)-[c:7]>>[C:5](-[C:6]-[Cl:8])-[Br:9].[N:1]-[C:2](=[O:3])-[C:4]-[c:7]	1	3724
+[N:1]#[C:2]-[C:3]-1(-[c:4](:[n:5]):[c:6])-[C:7]-[C:8]-1>>[C:7](-[C:8]-[Br:10])-[Cl:9].[N:1]#[C:2]-[C:3]-[c:4](:[n:5]):[c:6]	1	3725
+[C:1]-[C:2]-[O:3]-[N:4](-[C:5]=[O:6])-[C:7]=[O:8]>>[C:1]-[C:2]-[Br:9].[O:3]-[N:4](-[C:5]=[O:6])-[C:7]=[O:8]	1	3729
+[n:1]:[c:2](-[C:3]-1(-[C:4]#[N:5])-[C:6]-[C:7]-1):[n:8]>>[C:6](-[C:7]-[Br:10])-[Cl:9].[n:1]:[c:2](-[C:3]-[C:4]#[N:5]):[n:8]	1	3741
+[c:1]-[C:2]-1=[N:3]-[C:4]-[C:5]-[O:6]-1>>[N:3]-[C:4]-[C:5]-[Br:7].[c:1]-[C:2](=[O:6])-[Cl:8]	1	3743
+[O:1]=[C:2]-[C:4](-[C:3])(-[C:5]-[C:6])-[C:8]-[C:7]>>[O:1]=[C:2]-[C:4]-[C:3].[C:5](-[C:6])-[Br:9].[C:7]-[C:8]-[Br:10]	1	3745
+[c:1]:1:[c:2]:2-[C:3](=[O:4])-[N:5](-[C:6]-[C:7])-[C:8]=[C:9]-[c:10]:2:[c:11]:[c:12]:[n:13]:1>>[C:6](-[C:7])-[Br:14].[c:1]:1:[c:2]:2:[c:3](-[O:4]):[n:5]:[c:8]:[c:9]:[c:10]:2:[c:11]:[c:12]:[n:13]:1	1	3754
+[C:1]-[C:2]-[N:3]-1-[C:4]=[C:5](-[C:6]=[C:7]-[C:8]-1=[O:9])-[Br:10]>>[C:1]-[C:2]-[Br:11].[n:3]:1:[c:4]:[c:5](:[c:6]:[c:7]:[c:8]:1-[O:9])-[Br:10]	1	3775
+[N:1]-[C:8](-[C:4](=[C:3]-[C:2])-[O:5]-[C:6]-[C:7])=[O:9]>>[C:6](-[C:7])-[Br:10].[N:1]-[C:8](-[C:4](=[C:3]-[C:2])-[O:5])=[O:9]	1	3778
+[C:1]-[C:2]-[O:3]-[c:4]:1:[n:5]:[o:6]:[c:7](-[c:8]):[c:9]:1>>[C:1]-[C:2]-[O:10].[O:3]=[C:4]-1-[N:5]-[O:6]-[C:7](-[c:8])=[C:9]-1	1	3787
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[c:7](-[N:8]):[n:9]:1>>[C:1]-[C:2](-[C:3]-[C:4](-[C:5])=[O:10])=[O:11].[N:6]=[C:7](-[N:8])-[N:9]	1	3794
+[C:1]-[C:2]#[C:3]-[c:4]:1:[c:5]:[n:6]:[c:7](:[c:8]:1:[c:9]:[n:10]):[n:11]>>[C:1]-[C:2]#[C:3].[c:4]:1(:[c:5]:[n:6]:[c:7](:[c:8]:1:[c:9]:[n:10]):[n:11])-[I:12]	1	3801
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7](:[c:6])-[N:8])-[I:9]	1	3802
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8])-[O:10]-[C:9]	1	3820
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:11]-[C:9](-[C:8]-[C:7]-[C:6])=[O:10].[N:4]-[c:5]	1	3838
+[C:1](-[C:2](=[O:3])-[O:4])-[N:5](-[C:6])-[C:7](=[O:8])-[C:9]>>[C:1](-[C:2](=[O:3])-[O:4])-[N:5]-[C:7](=[O:8])-[C:9].[C:6]-[I:10]	1	3841
+[N:1]-[C:2](=[O:3])-[C:4](=[N:5]-[N:6]-[c:7])-[C:8](-[C:9])=[O:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[C:8](-[C:9])=[O:10].[N:5]#[N+:6]-[c:7]	1	3852
+[N:1]-1-[C:2](=[O:3])-[N:4](-[C:5]-[c:6])-[C:7](=[O:8])-[C:9]=[C:10]-1>>[N:1]-1-[C:2](=[O:3])-[N:4]-[C:7](=[O:8])-[C:9]=[C:10]-1.[C:5](-[c:6])-[Cl:11]	1	3858
+[C:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[n:6]:[c:8](-[N:7]):[s:9]:1>>[C:1]-[C:2]-[Br:10].[S:3]=[C:4]-1-[N:5]-[N:6]=[C:8](-[N:7])-[S:9]-1	1	3887
+[C:1]-[C:2]-[C:3](-[C:4])(-[O:5])-[c:6]>>[C:1]-[C:2]-[Br:7].[C:3](-[C:4])(=[O:5])-[c:6]	1	3890
+[c:1]-[C:2](-[C:3]#[N:4])(-[C:5]-[C:6])-[S:7]>>[C:5](-[C:6])-[Br:8].[c:1]-[C:2](-[C:3]#[N:4])-[S:7]	1	3905
+[C:1]-[C:2](-[C:3])(-[O:4])-[C:5]-[C:6](=[O:7])-[O:8]>>[C:1]-[C:2](-[C:3])=[O:4].[C:5](-[C:6](=[O:7])-[O:8])-[Br:9]	1	3910
+[C:1]-[C:2](=[O:3])-[C:4]-[n:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:1>>[C:1]-[C:2](=[O:3])-[C:4]-[Br:10].[n:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:1	1	3912
+[C:1](=[O:2])(-[C:3])-[O:11]-[N:10]-1-[C:5](=[O:4])-[C:6]-[C:7]-[C:8]-1=[O:9]>>[C:1](=[O:2])(-[C:3])-[Cl:12].[O:4]=[C:5]-1-[C:6]-[C:7]-[C:8](=[O:9])-[N:10]-1-[O:11]	1	3926
+[C:1]-[C:2](=[O:3])-[C:4](-[C:5](-[N:6]-[S:7])=[N:9]-[c:8])=[C:10](-[O:11])-[c:12]>>[C:1]-[C:2](=[O:3])-[C:4](=[C:5](-[S:14]-[C:13])-[S:15]-[C:16])-[C:10](=[O:11])-[c:12].[N:6]-[S:7].[c:8]-[N:9]	1	3941
+[N:1]-[C:2](=[O:3])-[C:4]-[c:7]:1:[c:6](-[c:5]):[n:12]:[c:11](:[c:8]:1:[c:9]):[c:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[C:7]-[C:6](-[c:5])=[O:14].[c:8](:[c:9])(:[c:11]:[c:10])-[N:12]-[N:13]	1	3955
+[n:1]:[c:2](-[C:3]#[N:4]):[n:5]>>[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[n:5]	1	3957
+[C:1](#[C:2]-[c:3](:[c:4]):[c:5])-[Si:7](-[C:6])(-[C:8])-[C:9]>>[C:1](#[C:2]-[Sn:15](-[C:14]-[C:13]-[C:12]-[C:11])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23])-[Si:7](-[C:6])(-[C:8])-[C:9].[c:3](:[c:4])(:[c:5])-[Br:10]	1	3966
+[C:1]=[C:2](-[O:3])-[C:4](=[C:5]-[C:6])-[C:8](-[N:7])=[O:9]>>[C:1]=[C:2](-[O:3])-[Sn:15](-[C:14]-[C:13]-[C:12]-[C:11])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23].[C:4](=[C:5]-[C:6])(-[C:8](-[N:7])=[O:9])-[Br:10]	1	3967
+[C:1]=[C:2](-[O:3])-[c:4](:[c:5]):[n:8]:[c:7]:[c:6]>>[c:4](:[c:5])(:[n:8]:[c:7]:[c:6])-[Cl:22].[C:1]=[C:2](-[O:3])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21]	1	3968
+[C:1]=[C:2](-[c:3](:[c:4]:[n:5]):[c:6])-[O:7]>>[c:3](:[c:4]:[n:5])(:[c:6])-[Br:8].[C:1]=[C:2](-[O:7])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21]	1	3969
+[C:1]=[C:2](-[O:3])-[c:4](:[n:5]:[n:6]):[c:7]>>[C:1]=[C:2](-[O:3])-[Sn:12](-[C:11]-[C:10]-[C:9]-[C:8])(-[C:13]-[C:14]-[C:15]-[C:16])-[C:17]-[C:18]-[C:19]-[C:20].[c:4](:[n:5]:[n:6])(:[c:7])-[Cl:21]	1	3972
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]:[c:6]:[n:8]):[c:7]>>[C:1]=[C:2](-[O:3]-[C:18]-[C:19])-[Sn:9](-[C:10]-[C:11]-[C:12]-[C:13])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:24]-[C:23]-[C:22]-[C:21].[c:4](:[c:5]:[c:6]:[n:8])(:[c:7])-[Br:20]	1	3980
+[c:1]:[c:2](:[n:3]:[c:4](-[C:5](=[C:6])-[O:7]):[c:8]):[c:9]>>[C:5](=[C:6])(-[O:7])-[Sn:18](-[C:17]-[C:16]-[C:15]-[C:14])(-[C:19]-[C:20]-[C:21]-[C:22])-[C:23]-[C:10]-[C:11]-[C:12].[c:1]:[c:2](:[n:3]:[c:4](:[c:8])-[Cl:13]):[c:9]	1	3981
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[N-:4]=[N+:5]=[N:6]-[Sn:11](-[C:10]-[C:9]-[C:8]-[C:7])(-[C:12]-[C:13]-[C:14]-[C:15])-[C:16]-[C:17]-[C:18]-[C:19].[C:1]-[C:2]#[N:3]	1	3994
+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[n:6]:[n:7]:[n:8]:1>>[N:5](=[N+:7]=[N-:6])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[n:1]:[c:2]:[c:3]-[C:4]#[N:8]	1	3998
+[C:1]-[Sn:2](-[C:3])(-[C:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[Sn:2](-[C:3])(-[C:4])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:5](:[c:6])(:[c:7])-[Br:8]	1	4000
+[c:1]:1:[c:2]:[c:4](:[n:3]):[c:5](-[c:6]:2:[n:7]:[n:8]:[c:9]:[c:10]:2):[n:11]:[c:12]:1>>[c:1]:1:[c:2]:[c:4](:[n:3]):[c:5](:[n:11]:[c:12]:1)-[Cl:26].[c:6]:1(:[n:7]:[n:8]:[c:9]:[c:10]:1)-[Sn:17](-[C:16]-[C:15]-[C:14]-[C:13])(-[C:18]-[C:19]-[C:20]-[C:21])-[C:22]-[C:23]-[C:24]-[C:25]	1	4001
+[c:1]:[c:2](-[C:3]-1=[C:4]-[C:5]=[C:6]-[N:7]-[C:8]-1=[O:9]):[c:10]>>[c:1]:[c:2](:[c:10])-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[C:3]-1(=[C:4]-[C:5]=[C:6]-[N:7]-[C:8]-1=[O:9])-[Br:11]	1	4004
+[c:1]:1:[c:2]:[s:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:9]:[n:8]>>[c:6](:[c:7])(:[c:9]:[n:8])-[Sn:15](-[C:14]-[C:13]-[C:12]-[C:11])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23].[c:1]:1:[c:2]:[s:3]:[c:4]:[c:5]:1-[Br:10]	1	4005
+[c:1]-[C:2]=[C:3](-[C:4])-[C:5]>>[c:1]-[C:2](-[C:3](-[C:4])-[C:5])-[O:6]	1	4006
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[Cl:21].[N:4](-[C:5])-[C:19](-[C:18]-[C:17]-[C:16]-[C:15]-[C:14]-[C:13]-[C:12]-[C:11]-[C:10]-[C:9]-[C:8]-[C:7]-[C:6])=[O:20]	1	4018
+[C:1]#[C:2]-[C:3]-[O:4]-[C:5](-[C:6])=[O:7]>>[C:1]#[C:2]-[C:3]-[O:4].[C:5](-[C:6])(=[O:7])-[O:11]-[C:9](-[C:8])=[O:10]	1	4022
+[C:1]-1-[S:2]-[C:3](-[c:4]:[c:6]:[n:5])-[N:7](-[C:8])-[C:9]-1=[O:10]>>[N:7]-[C:8].[C:1](-[S:2])-[C:9](=[O:10])-[O:12].[C:3](-[c:4]:[c:6]:[n:5])=[O:11]	1	4024
+[c:1](-[C:2](-[C:3])-[O:4]):[c:5]:[n:6]>>[c:1](-[C:2]=[O:4]):[c:5]:[n:6].[C:3]-[Mg:8]-[I:7]	1	4036
+[C:1]-[C:2](=[C:3]-[C:4]-[O:5])-[C:6]>>[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[O:8]-[C:7])-[C:6]	1	4069
+[C:1]-[C:2](=[C:3]-[C:4]=[O:5])-[C:6]>>[C:1]-[C:2](=[C:3]-[C:4]-[O:5])-[C:6]	1	4070
+[C:1]-[C:2](-[C:3])=[C:4]-[C:5]>>[C:4](-[C:5])=[O:20].[C:1]-[C:2](-[C:3])-[P+:25](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:24]:3:[c:18]:[c:19]:[c:21]:[c:22]:[c:23]:3	1	4074
+[S:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[Br:6].[S:1]=[C:4](-[N:5])-[N:7]	1	4077
+[C:1]-[C:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[Mg:8]-[Br:7].[C:1]-[C:2]-[Br:6]	1	4100
+[C:1]-[C:2]-[C:3]-[O:4]>>[C:1]-[C:2]=[C:3].[O:4]	1	4121
+[O:1]-[C:2]-1=[C:3](-[O:4])-[C:5](=[O:6])-[C:7](-[C:8])=[C:9](-[C:10])-[C:11]-1=[O:12]>>[O:1]-[c:2]:1:[c:3](-[O:4]):[c:5](-[O:6]):[c:7](-[C:8]):[c:9](-[C:10]):[c:11]:1.[O:12]=[O:13]	1	4135
+[C:1]-[N:2]-[C:3](=[S:4])-[S:6]-[C:5]>>[C:1]-[N:2].[C:5]-[I:7].[C:3](=[S:4])=[S:6]	1	4145
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[C:1]-[N:2].[C:3](-[O:4])(-[C:5]=[C:6])=[O:7]	1	4163
+[C:1]-[c:2]:1:[c:3](-[O:4]):[c:5]:[c:6]:[n:7]:[c:8]:1-[C:9]-[O:10]-[C:12](-[C:11])=[O:13]>>[C:1]-[c:2]:1:[n+:7](:[c:6]:[c:5]:[c:3](-[O:4]):[c:8]:1-[C:9])-[O-:17].[O:10](-[C:12](-[C:11])=[O:13])-[C:15](-[C:14])=[O:16]	1	4181
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6])-[C:7]>>[C:5](-[C:6])-[I:8].[C:1]-[C:2](=[O:3])-[N:4]-[C:7]	1	4186
+[C:1]-[n:2]:1:[n:3]:[n:4]:[n:5]:[c:6]:1-[C:7]>>[C:1]-[N:2]-[C:6](-[C:7])=[O:8].[N+:3](=[N:4])=[N-:5]	1	4191
+[c:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-1=[O:6]>>[c:1]-[N:2]-[C:5](-[C:4]-[C:3]-[Cl:7])=[O:6]	1	4203
+[C:1]-[C:2]-[C:3]#[C:4]>>[C:1]-[C:2]-[I:5].[C:3]#[C:4]	1	4206
+[C:1]-[C:2]-[O:3]-[C:4]-[C:5](=[O:6])-[O:7]>>[C:1]-[C:2]-[I:8].[O:3]-[C:4]-[C:5](=[O:6])-[O:7]	1	4209
+[C:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-1=[O:7]>>[C:3](-[C:4]-[C:5]-[C:6](=[O:7])-[O:10]-[C:9]-[C:8])-[Cl:11].[C:1]-[N:2]	1	4215
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]-[O:6])(-[c:7])-[c:8]>>[C:5]-1-[O:6]-[c:13]:2:[c:12](:[c:11]:[c:10](-[C:9]-3-[c:18]:4:[c:19](-[Br:20]):[c:21]:[c:22]:[c:23]:[c:24]:4-[N:30](-[C:29]-[C:28]-[C:27]-[C:26]-[C:25])-[C:31]-3=[O:32]):[c:15](:[c:14]:2)-[O:16])-[O:17]-1.[N:1]-[C:2](=[O:3])-[C:4](-[c:7])-[c:8]	1	4231
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-1-[C:6]=[C:7](-[C:8])-[C:9]-[N:10]-[C:11]-1=[O:12]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5]-1-[C:6]=[C:7](-[C:8])-[C:9]-[N:10]-[C:11]-1=[O:12]	1	4235
+[N:1]-[C:2](=[O:3])-[C:4]-[S:5]-[C:6]>>[S:5]-[C:6].[N:1]-[C:2](=[O:3])-[C:4]-[Br:7]	1	4269
+[c:1](:[c:2](-[C:3]=[C:4]-[C:5]):[c:6]:[n:7]):[n:8]>>[C:3](=[C:4]-[C:5])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:1](:[c:2](:[c:6]:[n:7])-[I:22]):[n:8]	1	4273
+[n:1]:[c:2]:[c:3]:[c:4](-[C:5]=[C:6]-[C:7]):[c:8]>>[C:5](=[C:6]-[C:7])-[Sn:20](-[C:11]-[C:12]-[C:13]-[C:14])(-[C:19]-[C:18]-[C:17]-[C:16])-[C:21]-[C:22]-[C:9]-[C:10].[n:1]:[c:2]:[c:3]:[c:4](:[c:8])-[Br:15]	1	4275
+[C:1]=[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]=[C:2]-[C:3]-[Sn:26](-[C:10]-[C:11]-[C:12]-[C:13])(-[C:25]-[C:24]-[C:23]-[C:22])-[C:27]-[C:7]-[C:8]-[C:9].[c:4](:[c:5])(:[c:6])-[O:17]-[S:15](=[O:14])(=[O:16])-[C:18](-[F:19])(-[F:20])-[F:21]	1	4277
+[C:1]=[C:2]-[C:3]-[c:4](:[c:5]:[c:6]:[n:8]):[c:7]>>[C:1]=[C:2]-[C:3]-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22].[c:4](:[c:5]:[c:6]:[n:8])(:[c:7])-[Br:9]	1	4283
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]>>[c:4](:[c:5])(:[c:6])-[Br:8].[n:1]:[c:2]:[c:3](:[c:7])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21]	1	4288
+[c:1]:1:[c:2](-[N:3]-[C:4](-[C:5])-[C:6]):[c:7]:[n:8]:[o:9]:1>>[C:4](-[C:5])(-[C:6])=[O:10].[c:1]:1:[c:2](-[N:3]):[c:7]:[n:8]:[o:9]:1	1	4292
+[c:1]-[O:2]-[C:3]-[C:4]-[C:5](=[O:6])-[O:7]>>[C:3](-[C:4]-[C:5](=[O:6])-[O:7])-[Cl:8].[c:1]-[O:2]	1	4316
+[C:1]-[C:2]-[N:3](-[c:4](:[c:5]:[n:6]):[c:8]:[n:7])-[C:9]-[C:10]>>[C:1]-[C:2]-[Cl:11].[C:9](-[C:10])-[Cl:12].[N:3]-[c:4](:[c:5]:[n:6]):[c:8]:[n:7]	1	4341
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5]-[N:6](-[C:7]-[C:8])-[c:9]:2:[c:10](:[c:11]:[n:12]:[c:13]:[n:14]:2)-[C:15]-1=[O:16]>>[C:7](-[C:8])-[Cl:17].[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[c:9]:2:[c:10](:[c:11]:[n:12]:[c:13]:[n:14]:2):[c:15]:1-[O:16]	1	4344
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]-[C:6])(-[C:8]-[C:7])-[c:9]>>[N:1]-[C:2](=[O:3])-[C:4]-[c:9].[C:5](-[C:6])-[I:10].[C:7]-[C:8]-[I:11]	1	4373
+[c:1]-[C:2]-1-[S:3]-[C:4]-[C:5](=[O:6])-[N:7]-1-[C:8]>>[N:7]-[C:8].[c:1]-[C:2]=[O:9].[S:3]-[C:4]-[C:5](=[O:6])-[O:10]	1	4382
+[c:1]-[C:2]-1=[N:3]-[C:4]-[C:5]-[O:6]-1>>[C:4](-[C:5]-[O:6])-[N:7].[c:1]-[C:2]#[N:3]	1	4423
+[C:1]-[C:2](-[N:3]-[C:4])-[C:5]>>[N:3]-[C:4].[C:1]-[C:2](-[C:5])-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9]	1	4444
+[C:1]-[N:2]-1-[C:3]-[C:4]-[N:5]=[C:6]-1-[c:7]>>[C:1]-[N:2]-[C:3]-[C:4]-[N:8].[N:5]#[C:6]-[c:7]	1	4508
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]-[C:7](-[C:8])=[O:9]>>[C:4](=[O:5])(-[C:6]-[C:7](-[C:8])=[O:9])-[O:12]-[C:11]-[C:10].[C:1]-[N:2]-[C:3]	1	4516
+[C:1]-[C:2](-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7])=[O:9]>>[C:1]-[C:2](-[O:3])=[O:9].[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:8]	1	4553
+[C:1]-[S:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1>>[C:1]-[S:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[n:7]:1)-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15]	1	4554
+[O:1]-[C:2](=[O:3])-[O:4]-[C:5]-[I:6]>>[O:1]-[C:2](=[O:3])-[O:4]-[C:5]-[Cl:7].[I:6]	1	4556
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[C:6])-[N:7]-[C:8](-[C:9])=[C:10](-[C:11]=[O:12])-[C:13]-1-[c:14]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:15].[C:13](-[c:14])=[O:16].[N:7]-[C:8](-[C:9])=[C:10]-[C:11]=[O:12]	1	4557
+[c:1](:[n:2]:[c:3](-[S:4]-[c:5]):[c:6]):[c:7]>>[c:1](:[n:2]:[c:3](:[c:6])-[F:21]):[c:7].[S:4](-[c:5])-[C:20]-[C:19]-[C:17](-[O:16]-[C:15]-[C:12](-[C:11]-[C:10]-[C:9]-[C:8])-[C:13]-[C:14])=[O:18]	1	4558
+[C:1]=[N:2]-[C:3]#[N:4]>>[C:1]=[N:2].[C:3](#[N:4])-[N:5]	1	4559
+[n:1]:[c:2]:[c:3]-[C:4](-[N:5]-[C:6])=[N:7]>>[N:5]-[C:6].[n:1]:[c:2]:[c:3]-[C:4](=[N:7])-[O:11]-[C:10]-[C:9]-[C:8]	1	4560
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[N:6].[N:4]-[C:5]	1	4570
+[C:1]-[N:2]-[C:3](-[C:4]-[C:5](-[N:6])=[O:8])-[C:7]>>[C:3](-[C:4]-[C:5](-[N:6])=[O:8])-[C:7].[C:1]-[N:2]	1	4579
+[C:1]-[N:2]=[C:3]-1-[N:4]-[c:5](:[c:6]-[C:7](=[O:8])-[N:9]-1):[o:10]>>[C:1]-[N:2].[C:3]-1(=[N:4]-[c:5](:[c:6]-[C:7](=[O:8])-[N:9]-1):[o:10])-[S:12](-[C:11])(=[O:13])=[O:14]	1	4580
+[C:1]-[N:2]-[C:3]-[c:4](:[c:5]:[n:6]):[n:7]>>[C:1]-[N:2].[C:3](-[c:4](:[c:5]:[n:6]):[n:7])=[O:8]	1	4595
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[O:2].[C:3](-[c:4])-[O:5]	1	4597
+[C:1]-[O:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[C:1]-[O:2].[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[N+:9](=[O:8])-[O-:10]	1	4609
+[C:1]-[O:2]-[C:3]-[C:4]-[C:5]#[N:6]>>[C:1]-[O:2].[C:3]=[C:4]-[C:5]#[N:6]	1	4619
+[C:1](=[O:2])(-[C:3](-[c:4])(-[C:5]-[C:6])-[C:8]-[C:7])-[O:11]>>[C:5](-[C:6])-[Cl:10].[C:7]-[C:8]-[Cl:9].[C:1](=[O:2])(-[C:3]-[c:4])-[O:11]	1	4625
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[Br:6]	1	4630
+[O:1]-[N:2]=[C:3](-[C:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[C:3](-[C:4])(-[c:5](:[c:6]:[n:7]):[n:8])=[O:9].[O:1]-[N:2]	1	4641
+[c:1]-[C:2]-[C:4]-[N:3]>>[c:1]-[C:2]=[O:5].[N:3]-[C:4]	1	4648
+[C:1]-[S:2]-[C:3]-[C:4]-[O:5]>>[C:1]-[S:2].[C:3]-1-[C:4]-[O:5]-1	1	4675
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[F:6]	1	4676
+[c:1]:[c:2](-[C:3]-[S:4]-[C:5]):[n:6]>>[S:4]-[C:5].[c:1]:[c:2](-[C:3]-[O:7]):[n:6]	1	4678
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]-1-[N:6]-[C:7]-[C:8]-[S:9]-1)=[C:10]-[O:11]>>[N:6]-[C:7]-[C:8]-[S:9].[N:1]-[C:2](=[O:3])-[C:4](-[C:5]=[O:12])=[C:10]-[O:11]	1	4679
+[c:1]-[C:2]-1=[N:3]-[C:4]-[C:5]-[S:6]-1>>[N:3]-[C:4]-[C:5]-[S:6].[c:1]-[C:2]#[N:7]	1	4680
+[C:1]-[N:2]-[C:3](=[C:4](-[C:5])-[C:6])-[S:7]>>[C:1]-[N:2].[C:3](=[C:4](-[C:5])-[C:6])(-[S:7])-[S:9]-[C:8]	1	4689
+[c:1]:1(:[n:2]:[c:3]:[c:4]:[c:5]:[n:6]:1)-[Sn:8](-[C:7])(-[C:9])-[C:10]>>[C:7]-[Sn:8](-[C:9])-[C:10].[c:1]:1(:[n:2]:[c:3]:[c:4]:[c:5]:[n:6]:1)-[Cl:11]	1	4699
+[C:1]-[C:2]#[C:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[C:1]-[C:2]#[C:3]-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:22]	1	4700
+[C:1]-[Sn:2](-[C:3])(-[C:4])-[c:5]:1:[c:6]:[n:7]:[c:8]:[s:9]:1>>[c:5]:1:[c:6]:[n:7]:[c:8]:[s:9]:1.[C:1]-[Sn:2](-[C:3])(-[C:4])-[Cl:10]	1	4703
+[c:1]:1:[n:2]:[c:3]:[c:4](:[o:5]:1)-[Sn:7](-[C:6])(-[C:8])-[C:9]>>[C:6]-[Sn:7](-[C:8])(-[C:9])-[Cl:10].[c:1]:1:[n:2]:[c:3]:[c:4]:[o:5]:1	1	4705
+[n:1]:1:[n:2]:[c:3](:[c:4]:[c:5]:1)-[Sn:7](-[C:6])(-[C:8])-[C:9]>>[C:6]-[Sn:7](-[C:8])(-[C:9])-[Cl:10].[n:1]:1:[n:2]:[c:3](:[c:4]:[c:5]:1)-[I:11]	1	4708
+[C:1]-[Sn:2](-[C:3])(-[C:4])-[c:5]:1:[c:6]:[n:7]:[c:8]:[n:9]:1>>[C:1]-[Sn:2](-[C:3])(-[C:4])-[Cl:10].[c:5]:1(:[c:6]:[n:7]:[c:8]:[n:9]:1)-[I:11]	1	4709
+[c:1](:[c:2])(:[c:4]:[n:3])-[Sn:6](-[C:5])(-[C:7])-[C:8]>>[C:5]-[Sn:6](-[C:7])(-[C:8])-[Cl:9].[c:1](:[c:2]):[c:4]:[n:3]	1	4711
+[c:1]:1(:[n:2]:[c:3](:[c:4](:[c:5]):[s:7]:1):[c:6])-[Sn:9](-[C:8])(-[C:10])-[C:11]>>[C:8]-[Sn:9](-[C:10])(-[C:11])-[Cl:12].[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]):[s:7]:1):[c:6]	1	4712
+[c:1]:[c:2](:[c:3])-[Sn:5](-[C:4])(-[C:6])-[C:7]>>[C:4]-[Sn:5](-[C:6])(-[C:7])-[Cl:9].[c:1]:[c:2](:[c:3])-[Br:8]	1	4713
+[n:1]:1:[n:2]:[c:3](-[c:4]:2:[c:5]:[n:6]:[c:7]:[c:8](:[n:9]:2):[c:10]):[c:11]:[c:12]:1>>[n:1]:1:[n:2]:[c:3](:[c:11]:[c:12]:1)-[Sn:18](-[C:17]-[C:16]-[C:15]-[C:14])(-[C:19]-[C:20]-[C:21]-[C:22])-[C:23]-[C:24]-[C:25]-[C:26].[c:4]:1(:[c:5]:[n:6]:[c:7]:[c:8](:[n:9]:1):[c:10])-[Br:13]	1	4715
+[c:1]:[c:2](-[c:3]:1:[c:4]:[s:5]:[c:6]:[n:7]:1):[c:8]>>[c:3]:1(:[c:4]:[s:5]:[c:6]:[n:7]:1)-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22].[c:1]:[c:2](:[c:8])-[Br:9]	1	4716
+[C:1](=[C:2](-[c:3])-[C:4](=[O:5])-[O:6])-[N:7]>>[C:2](-[c:3])-[C:4](=[O:5])-[O:6].[C:1](-[N:7])=[O:8]	1	4723
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](-[n:6]:1:[n:7]:[n:8]:[c:9]:[c:10]:1:[c:11])-[C:12]>>[C:1]-[C:2](=[O:3])-[N:4].[C:5](-[C:12])=[O:13].[n:6]:1:[n:7]:[n:8]:[c:9]:[c:10]:1:[c:11]	1	4736
+[c:1]:1:[c:2]:[n:3]:[c:5](:[c:4]):[c:6]:1-[C:7]-[c:8](:[n:9]):[c:10]>>[c:1]:1:[c:2]:[n:3]:[c:5](:[c:4]):[c:6]:1.[C:7](-[c:8](:[n:9]):[c:10])=[O:11]	1	4746
+[N:1](-[C:2]-[C:3](=[O:4])-[O:6])-[C:5]>>[N:1]-[C:5].[C:2](-[C:3](=[O:4])-[O:6])=[O:7]	1	4749
+[c:1]:1:[n:2]:[n:3](-[C:4]-[c:5]:[c:6]:[n:7]):[c:8]:[n:9]:1>>[c:1]:1:[n:2]:[n:3]:[c:8]:[n:9]:1.[C:4](-[c:5]:[c:6]:[n:7])-[Br:10]	1	4752
+[C:1]-[C:2](-[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[o:8]:1)=[O:9]>>[C:1]-[C:2](=[O:9])-[Cl:10].[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[o:8]:1	1	4764
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[C:6](=[O:7])(-[c:8])-[Cl:9].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]	1	4773
+[c:1]:1(:[n:2]:[c:3](-[c:4]):[n:5]:[c:6](:[c:7]):[c:9]:1:[c:8])-[O:10]>>[C:3](-[c:4])(=[O:11])-[Cl:12].[C:1](-[N:2])(-[c:9](:[c:6](-[N:5]):[c:7]):[c:8])=[O:10]	1	4775
+[c:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[c:6]:[c:7]:[n:8]:1>>[c:1]-[C:2](=[O:3])-[Cl:9].[c:4]:1:[n:5]:[c:6]:[c:7]:[n:8]:1	1	4778
+[C:1](=[O:2])(-[c:3]:[c:5]:[n:4])-[N:7](-[O:6])-[C:8]>>[C:1](=[O:2])(-[c:3]:[c:5]:[n:4])-[Cl:9].[O:6]-[N:7]-[C:8]	1	4790
+[N:1]-1-[N:2]=[N:3]-[N:4](-[c:5](:[c:6]):[c:7])-[C:8]-1=[O:9]>>[c:5](:[c:6])(:[c:7])-[C:8](=[O:9])-[Cl:10].[N-:2]=[N+:3]=[N-:4].[N:1](=[O:11])-[O:12]	1	4792
+[N:1]-[C:2](-[C:3]-[N:4](-[C:5])-[c:6])=[O:7]>>[N:4](-[C:5])-[c:6].[N:1]-[C:2](-[C:3]-[Cl:8])=[O:7]	1	4796
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[C:7](-[N:8])=[O:9]):[c:10]:1>>[C:6](-[C:7](-[N:8])=[O:9])-[Cl:11].[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[C:10]=[O:12]	1	4798
+[O:1]=[C:2](-[C:3]-[S:4]-[c:5]:1:[n:6]:[c:7](:[c:8](:[c:9]):[s:11]:1):[c:10])-[N:12]>>[O:1]=[C:2](-[C:3]-[Cl:13])-[N:12].[S:4]=[C:5]-1-[N:6]-[c:7](:[c:8](:[c:9])-[S:11]-1):[c:10]	1	4801
+[C:1]=[C:2](-[C:3])-[C:4]-[C:5](-[C:6])(-[C:7])-[O:8]>>[C:1]=[C:2](-[C:3])-[C:4]-[Cl:9].[C:5](-[C:6])(-[C:7])=[O:8]	1	4807
+[C:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-1>>[C:3](-[C:4]-[C:5]-[Cl:6])-[Cl:7].[C:1]-[N:2]	1	4812
+[O:1]=[C:2](-[C:3]-[c:4]:1:[c:5]:[o:6]:[c:7](:[c:8]:1:[c:9]):[c:10])-[O:11]>>[O:1]=[C:2]-1-[C:3]=[C:4](-[C:5]-[Cl:12])-[c:8](:[c:7](-[O:6]-1):[c:10]):[c:9].[O:11]	1	4818
+[C:1]-[n:2]:1:[n:3]:[c:4](-[C:5](=[O:6])-[O:7]):[c:8]:[c:9]:1-[O:10]-[C:11]-[C:12]>>[C:11](-[C:12])-[Br:13].[C:1]-[N:2]-1-[N:3]=[C:4](-[C:5](=[O:6])-[O:7])-[C:8]-[C:9]-1=[O:10]	1	4827
+[c:1]-[O:2]-[C:3]-[C:4]-[C:5]-[N:6](-[C:7])-[C:8]>>[C:3](-[C:4]-[C:5]-[Br:10])-[Cl:9].[N:6](-[C:7])-[C:8].[c:1]-[O:2]	1	4828
+[C:1]-[N:2](-[C:3]-[C:4]-[C:5]-[O:6]-[c:7])-[C:8]>>[C:3](-[C:4]-[C:5]-[Br:10])-[Cl:9].[C:1]-[N:2]-[C:8].[O:6]-[c:7]	1	4838
+[C:1]-[C:2]-[N:3]-1-[N:4]=[C:5](-[C:6])-[c:7](:[c:8]):[c:10](:[c:9])-[C:11]-1=[O:12]>>[C:1]-[C:2]-[Br:13].[n:3]:1:[n:4]:[c:5](-[C:6]):[c:7](:[c:8]):[c:10](:[c:9]):[c:11]:1-[O:12]	1	4839
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+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[n:6]:[c:7](-[S:8]-[C:9]-[C:10]):[n:11]:1-[C:12]):[s:13]>>[C:9](-[C:10])-[Br:14].[n:1]:[c:2]:[c:3](-[C:4]-1=[N:5]-[N:6]-[C:7](=[S:8])-[N:11]-1-[C:12]):[s:13]	1	4843
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+[n:1]:[c:6](:[c:2]-[O:3]-[C:4]-[c:5]):[n:7]>>[C:4](-[c:5])-[Cl:8].[n:1]:[c:6](:[c:2]-[O:3]):[n:7]	1	4897
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+[n:1]:[c:2](-[C:3]-[S:4]-[c:5](:[n:6]):[n:7]):[c:8]:[s:9]>>[n:1]:[c:2](-[C:3]-[Cl:10]):[c:8]:[s:9].[S:4]-[c:5](:[n:6]):[n:7]	1	4903
+[C:1]-[C:2](=[O:3])-[C:4]-[n:5]:1:[c:6]:[n:7]:[c:8]:[n:9]:1>>[C:1]-[C:2](=[O:3])-[C:4]-[Br:10].[n:5]:1:[c:6]:[n:7]:[c:8]:[n:9]:1	1	4921
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+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]-[c:7]>>[C:1]-[N:2](-[C:4](=[O:5])-[C:16])-[Cl:17].[O:6]-[c:7].[C:3]-[N:9](-[C:8])-[c:10]:1:[c:11]:[c:12]:[n:13]:[c:14]:[c:15]:1	1	4932
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+[N:1](-[C:2])-[C:3]-[C:4](-[C:5])=[C:6]>>[N:1]-[C:2].[C:3](-[C:4](-[C:5])=[C:6])=[O:7]	1	4954
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+[N:1]-1-[C:2](=[O:3])-[N:4](-[C:5](=[O:6])-[c:7]:[c:8]-1:[s:9])-[C:10]>>[N:1]-[c:8](:[c:7]-[C:5](=[O:3])-[O:6]-[C:11]):[s:9].[N:4]-[C:10].[C:2](=[O:12])(-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17])-[O:18]-[C:19](-[Cl:20])(-[Cl:21])-[Cl:22]	1	4978
+[c:1]-1:[c:2](:[s:3])-[N:4]-[C:5](=[O:6])-[N:7](-[C:8]-1=[O:9])-[C:10]>>[N:7]-[C:10].[C:5](=[O:6])(-[O:17]-[C:14](-[Cl:13])(-[Cl:15])-[Cl:16])-[O:18]-[C:19](-[Cl:20])(-[Cl:21])-[Cl:22].[c:1](:[c:2](:[s:3])-[N:4])-[C:8](=[O:9])-[O:12]-[C:11]	1	4983
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[n:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]):[n:5].[N:4]	1	4995
+[C:1]-[C:2](-[N+:3])=[C:4](-[O:5]-[C:6](-[C:7])-[C:8])-[C:9]=[C:10]>>[C:1]-[C:2](-[N+:3])=[C:4](-[O:5])-[C:9]=[C:10].[C:6](-[C:7])(-[C:8])-[O:11]	1	4996
+[C:1]-[C:2](-[N+:3])=[C:4](-[C:5]=[C:6])-[O:10]-[S:8](=[O:7])(=[O:9])-[C:11](-[F:12])(-[F:13])-[F:14]>>[C:1]-[C:2](-[N+:3])=[C:4](-[C:5]=[C:6])-[O:10].[O:7]=[S:8](=[O:9])(-[C:11](-[F:12])(-[F:13])-[F:14])-[O:18]-[S:16](=[O:15])(=[O:17])-[C:19](-[F:20])(-[F:21])-[F:22]	1	4997
+[c:1]:[c:2](:[c:3])-[B:10](-[O:9])-[O:11]>>[c:1]:[c:2](:[c:3])-[Br:12].[C:4]-[C:21]-1(-[O:11]-[B:10](-[O:9]-[C:18]-1(-[C:19])-[C:20])-[B:17]-2-[O:5]-[C:6](-[C:7])(-[C:8])-[C:14](-[C:13])(-[C:15])-[O:16]-2)-[C:22]	1	5003
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:4]=[O:3]	1	5013
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[n:6])-[C:7](=[N:8])-[C:10](-[N:9])=[O:11]>>[O:1]=[C:2](-[C:7](=[N:8])-[C:10](-[N:9])=[O:11])-[O:12].[N:3]-[c:4](:[n:5]):[n:6]	1	5014
+[N:1]-[C:2](-[C:3](=[C:4]-[C:5])-[c:6])=[S:7]>>[N:1]-[C:2](-[C:3](-[C:4](-[C:5])-[O:8])-[c:6])=[S:7]	1	5026
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+[N:1]-1-[N:2]=[C:3](-[c:4])-[O:5]-[C:6]-1=[O:7]>>[N:1]-[N:2]-[C:3](-[c:4])=[O:5].[C:6](=[O:7])(-[O:10]-[C:13](-[Cl:8])(-[Cl:9])-[Cl:12])-[Cl:11]	1	5043
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]:[c:8]:[n:7]):[o:9]:1>>[c:1]-[C:2](-[N:3]-[N:4]-[C:5](-[c:6]:[c:8]:[n:7])=[O:10])=[O:9]	1	5044
+[c:1]:[c:2](-[c:3]:1:[c:4]:[s:5]:[c:6]:[c:7]:1:[c:8]:[n:9]):[c:10]>>[c:3]:1(:[c:4]:[s:5]:[c:6]:[c:7]:1:[c:8]:[n:9])-[Br:11].[c:1]:[c:2](:[c:10])-[B:13](-[O:12])-[O:14]	1	5050
+[C:1]-1-[C:2]-[C:3](=[O:4])-[N:5](-[c:6])-[C:7]-1=[O:8]>>[C:1](-[C:2]-[C:3](=[O:4])-[O:9])-[C:7](=[O:8])-[O:10].[N:5]-[c:6]	1	5068
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]:[c:6]:[n:8]):[c:7]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5]:[c:6]:[n:8])(:[c:7])-[Br:9]	1	5089
+[n:1]:[c:2]:[c:3]:[c:4](-[C:5]#[C:6]-[C:7]):[c:8]>>[C:5]#[C:6]-[C:7].[n:1]:[c:2]:[c:3]:[c:4](:[c:8])-[I:9]	1	5093
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[C:7]):[n:8](-[C:9]):[c:10]:2:[n:11]:1>>[C:6](-[C:7])(=[O:12])-[O:13].[c:1]:1:[c:2]:[c:3]:[c:4](-[N:5]):[c:10](-[N:8]-[C:9]):[n:11]:1	1	5099
+[n:1]:[c:2]:1:[c:3]:[c:4]:2:[n:5]:[n:6]:[c:7](-[C:8]):[n:9]:2:[c:10]:[c:11]:1>>[C:7](-[C:8])(-[O:12])=[O:13].[n:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[N:6]):[n:9]:[c:10]:[c:11]:1	1	5103
+[O:1]=[C:2](-[C:3]-[O:4]-[c:5](:[n:6]:[c:7]:[c:8]):[c:9])-[O:10]>>[O:1]=[C:2](-[C:3]-[O:4])-[O:10].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Br:11]	1	5111
+[C:1](-[C:2]-[O:3]-[c:4](:[c:5]):[c:6])=[C:7]>>[C:1](-[C:2]-[O:3])=[C:7].[c:4](:[c:5])(:[c:6])-[F:8]	1	5112
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+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5]-2:[c:6]:1-[S:7]-[C:8](=[O:9])-[N:10]-2>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[s:7]:[c:8](-[O:9]-[C:11]):[n:10]:2	1	5116
+[c:1]:[c:3]:1:[c:2]:[n:6]:[c:5](:[s:4]:1)-[Cl:7]>>[c:1]:[c:3]:1:[c:2]:[n:6]:[c:5](:[s:4]:1)-[N:8].[Cl:7]	1	5117
+[C:1]-1-[C:2]-[O:3]-[C:4](-[C:5])(-[C:6](=[O:7])-[O:8])-[O:9]-[C:10]-1>>[C:1](-[C:2]-[O:3])-[C:10]-[O:11].[C:4](-[C:5])(-[C:6](=[O:7])-[O:8])=[O:9]	1	5119
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+[C:1]-1-[C:2]-[O:3]-[C:4](-[c:5])-[O:6]-[C:7]-1>>[C:1](-[C:2]-[O:3])-[C:7]-[O:8].[C:4](-[c:5])=[O:6]	1	5127
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[O:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[O:8])-[O:16]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	1	5128
+[C:1]-[C:2]-[C:3]>>[C:1]-[C:6]-[C:5]-[O:4].[C:2]-[C:3]	1	5144
+[n:1]:[c:2]:[c:3]-[C:4](=[N:5])-[O:7]-[C:6]>>[C:6]-[O:7].[n:1]:[c:2]:[c:3]-[C:4]#[N:5]	1	5145
+[C:1]-[C:2]-1-[C:3]-[C:4](-[C:5]-[C:6]-[O:7]-1)-[O:8]>>[C:3]=[C:4]-[C:5]-[C:6]-[O:8].[C:1]-[C:2]=[O:7]	1	5149
+[n:1]:[c:3](:[c:2])-[C:4]-1-[C:5]-[C:6](-[C:7]-[C:8]-[O:9]-1)-[O:11]-[S:10]>>[C:5]=[C:6]-[C:7]-[C:8]-[O:12].[S:10]-[O:11].[n:1]:[c:3](:[c:2])-[C:4]=[O:9]	1	5150
+[N:1]-1-[N:2]=[C:3](-[O:4]-[C:5])-[C:6]=[C:7]-[C:8]-1>>[O:4]-[C:5].[N:1]-1-[N:2]=[C:3](-[C:6]=[C:7]-[C:8]-1)-[Cl:9]	1	5151
+[C:1]-1(-[C:2]-[C:3]-[O:4]-[C:5](-[c:6])-[C:7]-1)-[O:8]>>[C:1](-[C:2]-[C:3]-[O:4])=[C:7].[C:5](-[c:6])=[O:8]	1	5152
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4]):[c:5].[C:1]-[O:2]	1	5153
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+[C:1]-[C:2]-[O:3]-[C:4]=[C:5](-[C:6])-[N:7]>>[O:3]-[C:4]=[C:5](-[C:6])-[N:7].[C:1]-[C:2]-[O:8]	1	5186
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+[C:1]-[N:2](-[C:3]-[C:4])-[c:5]>>[C:3](-[C:4])-[Cl:6].[C:1]-[N:2]-[c:5]	1	5213
+[O:1]-[C:2]-[C:3].[C:4]-[C:5]-[O:6]-[c:7]>>[O:1]-[C:5]-[C:4].[C:2](-[C:3])-[Cl:8].[O:6]-[c:7]	1	5214
+[O:1]=[C:2]-1-[c:3](:[c:4]):[c:6](:[c:5])-[C:7](-[c:8])=[C:9]-[N:10]-1-[C:11]-[C:12]>>[C:11](-[C:12])-[Cl:13].[O:1]-[c:2]:1:[c:3](:[c:4]):[c:6](:[c:5]):[c:7](-[c:8]):[c:9]:[n:10]:1	1	5227
+[n:1]:[c:2]:[c:7]:[c:4](:[c:3])-[N:5]-[C:6]>>[N:5]-[C:6].[n:1]:[c:2]:[c:7]:[c:4](:[c:3])-[F:8]	1	5249
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5](:[n:6]):[c:8](:[c:7]):[n:9]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5](:[n:6]):[c:8](:[c:7]):[n:9]:1)-[Cl:10]	1	5265
+[O:1]=[C:2](-[O:3]-[C:4])-[c:5]>>[O:3]-[C:4].[O:1]=[C:2](-[c:5])-[O:7]-[C:6]	1	5266
+[c:1]-[C:3](-[C:4](-[N:2])=[O:5])(-[O:7]-[C:6])-[O:8]-[C:9]>>[C:6]-[O:7].[O:8]-[C:9].[c:1]-[C:3](-[C:4](-[N:2])=[O:5])=[O:10]	1	5272
+[c:1]-[C:2](-[O:3]-[C:4])-[O:6]-[C:5]>>[O:3]-[C:4].[C:5]-[O:6].[c:1]-[C:2]=[O:7]	1	5275
+[c:1]:1:[c:2]:[n:3](:[c:4]:[n:5]:1)-[C:7](-[c:6])(-[c:8])-[c:9]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1.[c:6]-[C:7](-[c:8])(-[c:9])-[Cl:10]	1	5282
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5](=[O:6])-[O:7]>>[C:3](-[C:4])-[I:8].[C:1]-[N:2]-[C:5](=[O:6])-[O:7]	1	5286
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])-[N:8](-[C:7]-[C:6])-[C:9]-[C:10]	1	5309
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+[C:1]-[N:2](-[C:3])-[C:4](-[C:5])(-[C:6])-[C:7]#[C:8]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(-[C:6])(-[C:7]#[C:8])-[Cl:9]	1	5319
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+[N:1]#[C:2]-[c:3]:1:[c:4](-[N:5]):[n:6](-[C:7]):[n:8]:[c:9]:1>>[N:6](-[C:7])-[N:8].[N:1]#[C:2]-[C:3](-[C:4]#[N:5])=[C:9]-[O:12]-[C:11]-[C:10]	1	5326
+[C:1]-[c:2]:1:[c:3](-[C:4]):[n:5](-[C:6]):[n:7]:[c:8]:1>>[N:5](-[C:6])-[N:7].[C:1]-[C:2](-[C:3](-[C:4])=[O:9])-[C:8]=[O:10]	1	5327
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2]-[O:13].[Cl:3]-[C:12]-[c:11]:1:[c:5](-[Cl:4]):[c:6]:[n:7]:[c:8]:[c:9]:1-[Cl:10]	1	5355
+[c:1]-[O:2]-[C:3]-[c:4]:[c:5]:[o:6]>>[C:3](-[c:4]:[c:5]:[o:6])-[O:7].[c:1]-[O:2]	1	5365
+[c:1](-[C:2]-[Cl:3]):[c:4]:[n:5]>>[c:1](-[C:2]-[O:10]):[c:4]:[n:5].[Cl:3]-[S:7](-[C:6])(=[O:8])=[O:9]	1	5370
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1](:[c:2])(:[c:3])-[Br:7].[O:4]-[B:5](-[O:6])-[O:10]-[C:9]-[C:8]	1	5387
+[C:1]-[C:2](=[N:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[N:3])-[O:9]-[C:8]-[C:7]	1	5391
+[c:1](-[C:2]-[C:3](=[O:4])-[O:7]):[c:5]:[n:6]>>[c:1](-[C:2](-[C:3](=[O:4])-[O:7])-[C:11](-[O:10]-[C:9]-[C:8])=[O:12]):[c:5]:[n:6]	1	5392
+[c:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6](-[O:10])=[O:16]):[c:7](-[O:8]):[n:9]:1>>[C:4](=[C:5](-[C:6](-[O:10])=[O:16])-[C:7](=[O:8])-[O:13]-[C:14]-[C:15])-[O:12]-[C:11]-[C:17].[c:1]-[C:2](-[N:3])=[N:9]	1	5394
+[C:1]-[N:9](-[c:2])-[C:8]=[C:5](-[C:3](=[O:4])-[O:12])-[C:6](=[O:7])-[O:11]-[C:10]>>[C:3](=[O:4])(-[C:5](-[C:6](=[O:7])-[O:15]-[C:14]-[C:13])=[C:8]-[O:11]-[C:10])-[O:12].[C:1]-[N:9]-[c:2]	1	5395
+[c:1]-[N:2]-1-[C:3](=[O:4])-[C:5](-[C:6](=[O:7])-[O:8])=[C:9]-[N:10]-1>>[C:3](=[O:4])(-[C:5](-[C:6](=[O:7])-[O:8])=[C:9]-[O:13]-[C:12]-[C:11])-[O:14]-[C:15]-[C:16].[c:1]-[N:2]-[N:10]	1	5397
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5]-[N:6]=[C:7]-2-[c:8](:[c:9]):[c:11](:[c:10])-[C:12](-[C:13])=[C:14]-[N:15]-2-[C:16]-1=[O:17]>>[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[O:23]-[C:22]-[C:21])-[C:16](=[O:17])-[O:18]-[C:19]-[C:20].[N:6]-[c:7]:1:[c:8](:[c:9]):[c:11](:[c:10]):[c:12](-[C:13]):[c:14]:[n:15]:1	1	5398
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[c:7](-[c:8]):[n:9]:[c:10]:1-[O:11]>>[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[O:15]-[C:14]-[C:13])-[C:10](=[O:11])-[O:16]-[C:17]-[C:12].[N:6]=[C:7](-[c:8])-[N:9]	1	5412
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5](=[C:6]-[N:7]-[c:8]:[c:9]:[n:10])-[C:11](=[O:12])-[O:13]>>[C:1]-[O:2]-[C:6]=[C:5](-[C:3](=[O:4])-[O:16]-[C:15]-[C:14])-[C:11](=[O:12])-[O:13].[N:7]-[c:8]:[c:9]:[n:10]	1	5413
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[O:11])-[c:10]:[c:8]:[n:9]>>[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[O:11])-[Cl:12].[C:1]-[N:2]-[c:10]:[c:8]:[n:9]	1	5424
+[N:1](-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:10])-[c:9]:[c:7]:[n:8]>>[C:2](=[O:3])(-[C:4]-[C:5](=[O:6])-[O:10])-[Cl:11].[N:1]-[c:9]:[c:7]:[n:8]	1	5425
+[C:1](-[N:2])(-[n:8]:1:[c:4](-[c:3]):[n:5]:[c:6]:[n:7]:1)=[O:9]>>[C:1](-[N:2])(=[O:9])-[O:12]-[C:11]-[C:10].[c:3]-[C:4]#[N:5].[C:6](-[N:7]-[N:8])=[O:13]	1	5445
+[c:1]-[C:2]-[N:3]-1-[N:4]=[C:5](-[c:6])-[C:7]=[C:8]-[C:9]-1=[O:10]>>[c:1]-[C:2]-[O:11].[n:3]:1:[n:4]:[c:5](-[c:6]):[c:7]:[c:8]:[c:9]:1-[O:10]	1	5452
+[c:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5]:1:[n:6]:[c:7]:[n:8]:[c:9]:2-[O:10]>>[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:1-[N:6])-[C:9](=[O:10])-[O:13]-[C:12]-[C:11].[C:7](-[N:8])=[N:14]	1	5456
+[O:1]=[C:2]-1-[C:3](=[C:4](-[C:5])-[N:7]-[N:8]-1-[c:9])-[C:6]>>[O:1]=[C:2](-[C:4](-[C:3](-[C:6])=[O:13])-[C:5])-[O:12]-[C:11]-[C:10].[N:7]-[N:8]-[c:9]	1	5462
+[C:1]-[C:2]-1=[N:3]-[N:4](-[c:5])-[C:6](=[O:7])-[C:8]-1>>[N:3]-[N:4]-[c:5].[C:1]-[C:2](-[C:8]-[C:6](=[O:7])-[O:11]-[C:10]-[C:9])=[O:12]	1	5484
+[c:1]:1-[C:2]=[C:3](-[C:4](-[C:5])=[O:11])-[C:6](=[O:7])-[O:8]-[c:9]:1:[n:10]>>[C:3](-[C:4](-[C:5])=[O:11])-[C:6](=[O:7])-[O:14]-[C:13]-[C:12].[c:1](-[C:2]=[O:15]):[c:9](-[O:8]):[n:10]	1	5487
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:7]:[c:8]:[c:9]:1-[C:10]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:12].[N:7]-[C:8]-[C:9](-[C:10])=[O:11]	1	5488
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[C:6])-[N:7]=[C:8](-[c:9](:[n:10]):[c:11])-[N:12]-[C:13]-1-[c:14]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:15].[C:13](-[c:14])=[O:16].[N:7]-[C:8](-[c:9](:[n:10]):[c:11])=[N:12]	1	5492
+[C:1]-[C:2](-[C:3]-[C:4]-[c:5])=[O:6]>>[C:1]-[C:2](-[C:3])=[O:6].[C:4](-[c:5])-[Br:7]	1	5493
+[C:1]-[c:2]:1:[c:3](:[n:4]:[c:5](:[c:6]):[c:8]:1:[c:7])-[C:12](-[O:9])=[O:11]>>[C:1]-[C:2](-[C:3]-[C:12](-[O:9])=[O:11])=[O:10].[N:4]-[c:5](:[c:6]):[c:8]:[c:7]	1	5496
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[C:6])-[N:7]=[C:8](-[c:9](:[n:10]):[c:12]:[n:11])-[N:13]-[C:14]-1-[c:15]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:16].[N:7]-[C:8](-[c:9](:[n:10]):[c:12]:[n:11])=[N:13].[C:14](-[c:15])=[O:17]	1	5502
+[C:1]-[C:2]=1-[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:10]=1)=[O:11]>>[C:1]-[C:2](-[C:10]-[C:9](=[O:11])-[O:14]-[C:13]-[C:12])=[O:15].[N:3]-[c:4]:1:[c:5]:[c:6]:[n:7]:[n:8]:1	1	5504
+[C:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6]-2-[C:7]=[C:8]-[S:9]-[C:10]-2=[N:11]-1>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:14]-[C:13]-[C:12])=[O:15].[n:6]:1:[c:7]:[c:8]:[s:9]:[c:10]:1-[N:11]	1	5505
+[S:1]-[C:2]-1=[N:3]-[N:4]-2-[C:5](=[O:6])-[C:7]=[C:8](-[C:9])-[N:10]=[C:11]-2-[S:12]-1>>[C:5](=[O:6])(-[C:7]-[C:8](-[C:9])=[O:16])-[O:15]-[C:14]-[C:13].[S:1]-[c:2]:1:[n:3]:[n:4]:[c:11](-[N:10]):[s:12]:1	1	5506
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[C:6])-[N:7]=[C:8](-[c:9](:[n:10]):[s:11])-[N:12]-[C:13]-1-[c:14]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:15].[N:7]-[C:8](-[c:9](:[n:10]):[s:11])=[N:12].[C:13](-[c:14])=[O:16]	1	5507
+[C:1](=[O:2])(-[c:3]:1:[c:4](-[C:5]):[n:6]:[c:7](:[c:8]):[c:10]:1:[c:9])-[O:11]>>[C:1](=[O:2])(-[C:3]-[C:4](-[C:5])=[O:13])-[O:11].[N:6]-[c:7](:[c:8]):[c:10](:[c:9])-[I:12]	1	5511
+[C:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:12])-[O:13])=[C:8]-[N:7]-[c:6]>>[C:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:12])-[O:13].[C:8](-[O:9]-[C:10]-[C:11])(-[O:16]-[C:15]-[C:14])-[O:17]-[C:18]-[C:19].[c:6]-[N:7]	1	5522
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[O:8]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[O:8])-[O:9]	1	5526
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5]-[C:6](-[N:7]=[C:8]-1)=[O:9]>>[C:3](=[O:4])(-[C:5]-[C:6](-[O:9])=[O:13])-[O:12]-[C:11]-[C:10].[C:1]-[N:2]-[C:8]=[N:7]	1	5532
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[c:7]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:10](=[O:9])-[O:11].[C:5](=[O:6])(-[c:7])-[Cl:8]	1	5540
+[C:1]-[c:2]:1:[c:3](-[C:4]-[C:5](-[O:6])=[O:11]):[n:7]:[c:8](-[c:9]):[s:10]:1>>[C:1]-[C:2](-[C:3](-[C:4]-[C:5](-[O:6])=[O:11])=[O:12])-[Br:13].[N:7]-[C:8](-[c:9])=[S:10]	1	5543
+[C:1](-[C:2]-[C:3](-[C:4]=[O:9])-[C:5](=[O:6])-[O:8])=[C:7]>>[C:1](-[C:2]-[C:3]-[C:5](=[O:6])-[O:8])=[C:7].[C:4](=[O:9])-[O:12]-[C:11]-[C:10]	1	5573
+[C:1]-[C:2](-[C:3])(-[O:4])-[C:5](-[C:6])-[C:8](-[C:7])=[O:9]>>[C:1]-[C:2](-[C:3])=[O:4].[C:5](-[C:6])-[C:8](-[C:7])=[O:9]	1	5574
+[C:1]-[C:2](-[C:3](-[O:9])=[O:10])-[C:4](-[C:5](=[O:6])-[O:7])=[O:8]>>[C:1]-[C:2]-[C:3](-[O:9])=[O:10].[C:4](-[C:5](=[O:6])-[O:7])(=[O:8])-[O:13]-[C:12]-[C:11]	1	5575
+[C:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[c:6](-[c:7]):[c:8](-[c:9]):[n:10]:1>>[C:1]-[C:2]-[Br:11].[S:3]=[C:4]-1-[N:5]-[C:6](-[c:7])=[C:8](-[c:9])-[N:10]-1	1	5585
+[C:1]-[c:2]:1:[c:3](-[O:4]-[C:5]):[n:6](-[C:7]-[C:8](=[O:9])-[O:10]):[n:11]:[c:12]:1>>[C:1]-[C:2]-1-[C:3](-[N:6](-[C:7]-[C:8](=[O:9])-[O:10])-[N:11]=[C:12]-1)=[O:13].[O:4]-[C:5]	1	5618
+[N:1]-1-[C:2](=[O:3])-[C:4](=[N:5]-[C:6])-[N:7]-[C:8]=[C:9]-1>>[N:1]-1-[C:2](=[O:3])-[C:4](=[N:7]-[C:8]=[C:9]-1)-[Br:10].[N:5]-[C:6]	1	5620
+[C:1]-[C:2]-[N:3]-1-[C:4]=[C:5](-[C:6])-[C:7]=[C:8]-[C:9]-1=[O:10]>>[C:1]-[C:2]-[I:11].[n:3]:1:[c:4]:[c:5](-[C:6]):[c:7]:[c:8]:[c:9]:1-[O:10]	1	5640
+[O:1]=[C:2]-[C:3]#[C:4]-[C:5]>>[O:1](-[C:2](-[C:3]#[C:4]-[C:5])-[O:8]-[C:7]-[C:6])-[C:9]-[C:10]	1	5664
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1-[C:11]>>[C:1]-[C:2](=[N:3])-[O:13]-[C:12].[c:4]:1(:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10]-[C:11])-[N:14]	1	5665
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:1:2>>[C:6](-[C:7](-[O:12]-[C:11]-[C:10])-[O:13]-[C:14]-[C:15])-[Br:16].[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:9]:1-[N:8]	1	5678
+[C:1]-[P:2](-[O:3])-[O:4]>>[C:1]-[P:2](-[O:3]-[C:12]-[C:13])(=[O:4])-[C:8](-[O:7]-[C:6]-[C:5])-[O:9]-[C:10]-[C:11]	1	5681
+[O:1]-[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6](:[c:7]:1:[c:8]):[c:9])-[C:10]>>[O:1]=[C:2](-[c:7](:[c:6](-[C:5](-[C:10])=[O:14]):[c:9]):[c:8])-[O:13]-[C:12]-[C:11].[N:3]-[N:4]	1	5683
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5](:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:[c:11]:1)-[O:12]>>[C:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:12])-[O:14]-[C:13])=[C:11]-[N:10]-[c:9](:[c:6]:[c:7]):[c:8]	1	5685
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:12])-[N:7](-[C:8])-[C:9](=[O:10])-[c:11]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:12])-[N:7]-[C:8].[C:9](=[O:10])(-[c:11])-[O:13]	1	5687
+[c:1]:[c:2]-1:[c:3](:[c:4])-[N:5]=[C:6]-[N:7]-2-[C:8](=[O:9])-[C:10](-[C:11](=[O:12])-[O:13])=[C:14]-[N:15]=[C:16]-1-2>>[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[n:7]:[c:16]:1-[N:15]-[C:14]=[C:10](-[C:8](=[O:9])-[O:18]-[C:17])-[C:11](=[O:12])-[O:13]	1	5688
+[O:1]-[C:2](=[O:3])-[C:4]-1(-[C:5](=[O:6])-[O:7])-[C:8]-[C:9]-1(-[C:10])-[c:11]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:7])=[N+:13]=[N-:12].[C:8]=[C:9](-[C:10])-[c:11]	1	5689
+[O:1]=[C:2]-1-[O:3]-[C:4](-[C:5])-[C:6](-[O:7])=[C:8]-1>>[O:1]=[C:2](-[C:8]=[C:6]-[O:7])-[O:10]-[C:9].[O:3]=[C:4]-[C:5]	1	5696
+[c:1]:1:[c:2]:2-[N:3]-[C:4](=[O:5])-[C:6]-[C:7](=[O:8])-[n:9]:2:[n:10]:[c:11]:1>>[C:4](=[O:5])(-[C:6]-[C:7](=[O:8])-[O:14]-[C:15])-[O:13]-[C:12].[c:1]:1:[c:2](-[N:3]):[n:9]:[n:10]:[c:11]:1	1	5697
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6]:2:[c:7]:[n:8]:[c:9]:[c:10]:[c:11]:2:[n:12]:[c:13]:1-[O:14]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:13](=[O:14])-[O:16]-[C:15].[C:5](-[c:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:[c:11]:1-[N:12])=[O:17]	1	5698
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:7])-[c:8]:1:[n:9]:[c:10]:[n:11]:[c:12]:[c:13]:1>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:7].[c:8]:1(:[n:9]:[c:10]:[n:11]:[c:12]:[c:13]:1)-[Cl:14]	1	5702
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6])-[C:7](=[O:8])-[O:9]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:7](=[O:8])-[O:9].[C:5](-[c:6])=[O:10]	1	5703
+[N:1](-[c:2]:[c:3]:[s:4])-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(=[C:7])-[O:9]-[C:8].[N:1]-[c:2]:[c:3]:[s:4]	1	5707
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]-[O:4].[O:3]=[C:6](-[O:5])-[O:7]	1	5725
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[s:7]:1>>[c:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[s:7]:1)-[Cl:8]	1	5729
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1:[n:9]):[s:10]>>[c:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1:[n:9]):[s:10])-[Cl:11]	1	5740
+[C:1]-[N:2]=[C:3]=[S:4]>>[C:1]-[N:2].[C:3](=[S:4])(-[n:7]:1:[c:6]:[c:5]:[n:14]:[c:13]:1)-[n:8]:2:[c:9]:[c:10]:[n:11]:[c:12]:2	1	5780
+[C:1]-[C:2]-[C:3](-[O:4])(-[c:5])-[C:6]>>[C:1]-[C:2]-[Cl:7].[C:3](=[O:4])(-[c:5])-[C:6]	1	5789
+[C:1]-[C:2]-[C:3](-[O:4])(-[c:5])-[C:6]>>[C:1]-[C:2]-[Mg:8]-[Cl:7].[C:3](=[O:4])(-[c:5])-[C:6]	1	5792
+[n:1]:[c:6](:[c:2])-[C:5]=[C:3]-[c:4]>>[n:1]:[c:6](:[c:2])-[C:5]=[O:15].[C:3](-[c:4])-[P+:20](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:19]:2:[c:13]:[c:14]:[c:16]:[c:17]:[c:18]:2)-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:3	1	5813
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+[O:1]-[C:2]-[n:3]:1:[c:4](:[c:5](:[s:6]):[c:8]:[c:9]:1):[c:7]>>[O:1]-[C:2]-[Cl:10].[n:3]:1:[c:4](:[c:5](:[s:6]):[c:8]:[c:9]:1):[c:7]	1	5868
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+[c:1]:1:[n:2]:[c:3]:[c:4](:[n:5]:[c:6]:1)-[I:7]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1.[I:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	1	5874
+[C:1](=[O:2])-[N:3]-[O:4]>>[C:1](=[O:2])-[N:3]-[O:4]-[C:8]-1-[C:7]-[C:6]-[C:5]-[C:10]-[O:9]-1	1	5884
+[c:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6](-[C:7](=[O:8])-[O:9]):[c:10]:1-[N:11]):[n:12]>>[C:5](=[C:6](-[C:7](=[O:8])-[O:9])-[C:10]#[N:11])-[O:15]-[C:14]-[C:13].[c:1]:[c:2](-[N:3]-[N:4]):[n:12]	1	5887
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[c:5](-[C:6]#[N:7]):[c:8]:[n:9]:[c:10]:2:[s:11]:1)-[O:12]>>[C:4](-[C:5](-[C:6]#[N:7])=[C:8]-[O:16]-[C:15]-[C:14])(=[O:12])-[O:17]-[C:18]-[C:13].[c:1]:1:[c:2]:[c:3]:[c:10](-[N:9]):[s:11]:1	1	5891
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+[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:7])-[c:8]:1:[c:9]:[s:10]:[c:11](-[N:12]):[n:13]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:7])-[C:8](-[C:9]-[Cl:15])=[O:14].[S:10]=[C:11](-[N:12])-[N:13]	1	5896
+[O:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[s:8]:2):[c:9](-[c:10]):[n:11]:1>>[O:1]=[C:2](-[N:11])-[O:12]-[C:15]-[C:14].[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[s:8]:1)-[C:9](-[c:10])=[O:13]	1	5900
+[N:1](-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1)=[C:10]>>[N:1](-[C:2](-[O:14]-[C:13]-[C:12])=[O:15])=[C:10].[n:4](:[c:5]:[c:6]):[c:8](:[c:7])-[N:9].[N:3]-[O:11]	1	5905
+[C:1]-1(-[C:2]-[C:3](-[C:4](=[O:5])-[O:6])=[N:7]-[N:8]-1-[c:9])=[O:10]>>[C:1](-[C:2]#[C:3]-[C:4](=[O:5])-[O:6])(=[O:10])-[O:13]-[C:12]-[C:11].[N:7]-[N:8]-[c:9]	1	5912
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[c:7](-[C:8]#[N:9]):[c:10]:1-[O:11]>>[c:1]:[c:2]:[c:3](:[c:4])-[N:5]-[C:6]=[C:7](-[C:8]#[N:9])-[C:10](=[O:11])-[O:14]-[C:13]-[C:12]	1	5913
+[N:1]-[C:2](-[C:3]-[C:4]=[C:5])=[O:6]>>[C:2](-[C:3]-[C:4]=[C:5])(=[O:6])-[O:9]-[C:8]-[C:7].[N:1]	1	5914
+[c:1]-[C:2](-[C:3](=[O:4])-[c:5])-[C:7](-[O:6])=[O:8]>>[c:1]-[C:2]-[C:7](-[O:6])=[O:8].[C:3](=[O:4])(-[c:5])-[Cl:9]	1	5933
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[s:6]:[c:7]:[c:8]:1>>[c:1]:1:[c:2]:[s:6]:[c:7]:[c:8]:1.[c:3](:[c:4])(:[c:5])-[I:9]	1	5941
+[O:1]-[C:2]-[N:3](-[C:4](=[O:5])-[C:6])-[c:7]>>[O:1]-[C:2]-[Cl:8].[N:3](-[C:4](=[O:5])-[C:6])-[c:7]	1	5949
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5]-[C:6]-[C:7]-1=[O:8]>>[C:1]-[N:2].[C:3]-1(-[O:4]-[C:7](-[C:6]-[C:5]-1)=[O:8])=[O:9]	1	5961
+[C:1]-[C:2]-[P:3](=[O:4])(-[O:5])-[O:6]>>[C:1]-[C:2]-[I:9].[P:3](-[O:4]-[C:8]-[C:7])(-[O:5])-[O:6]	1	5968
+[C:1]-[S:2]-[C:3](-[c:4])(-[c:5])-[c:6]>>[C:1]-[S:2].[C:3](-[c:4])(-[c:5])(-[c:6])-[Cl:7]	1	5978
+[S:1]-[N:2](-[c:3](:[c:4]):[o:5])-[C:7]-[O:6]>>[O:6]-[C:7]-[Cl:8].[S:1]-[N:2]-[c:3](:[c:4]):[o:5]	1	5985
+[C:1]-[N:2](-[C:3]-[C:4])-[c:5]:[c:7]:[n:6]>>[C:1]-[N:2]-[c:5]:[c:7]:[n:6].[C:3](-[C:4])=[O:8]	1	5998
+[n:1]:[c:2](-[C:3]-[C:4]-[O:5]):[c:6]>>[n:1]:[c:2](-[C:3]):[c:6].[C:4]=[O:5]	1	5999
+[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5]:[n:6]:1>>[c:1]:1:[c:2](:[c:3]):[n:4](:[c:5]:[n:6]:1)-[C:12]-[O:11]-[C:10]-[C:9]-[O:8]-[C:7]	1	6004
+[s:1]:[c:2](-[N:3]-[C:4]-[C:5]):[n:6]>>[s:1]:[c:2](-[N:3]):[n:6].[C:4](-[C:5])=[O:7]	1	6014
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]=[C:7]-[c:8](:[c:9]:[s:10]):[n:11]>>[C:7](-[c:8](:[c:9]:[s:10]):[n:11])-[P:15](-[O:14]-[C:13]-[C:12])(=[O:16])-[O:17]-[C:18]-[C:19].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]=[O:20]	1	6023
+[C:1](-[c:2])-[P:4](-[O:3])(=[O:5])-[O:6]>>[O:3]-[P:4](=[O:5])(-[O:6])-[O:10]-[C:9]-[C:8].[C:1](-[c:2])-[Br:7]	1	6025
+[c:1](:[c:2]):[n:7]:[c:4](:[c:3])-[C:5]-[O:6]-[C:9](-[C:8])=[O:10]>>[c:1](:[c:2]):[n+:7](:[c:4](:[c:3])-[C:5])-[O-:11].[O:6]-[C:9](-[C:8])=[O:10]	1	6026
+[O:1]-[c:2]>>[O:1](-[c:2])-[C:5](-[C:4]-[C:3])=[O:6]	1	6028
+[O:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[c:6]:[c:7]:[c:8]:1>>[O:1]-[c:2]:1:[c:8]:[c:7]:[c:6]:[c:22](-[C:21]=[O:20]):[c:23]:1.[c:3]:1:[c:4](-[C:5]):[c:13]:[c:12](-[O:11]-[C:10]-[C:9]):[c:18](:[c:14]:1-[O:15]-[C:16]-[C:17])-[F:19]	1	6040
+[C:1](-[c:2])(=[N:3]-[S:7])-[c:6]:[c:4]:[n:5]>>[C:1](-[c:2])(-[c:6]:[c:4]:[n:5])=[O:8].[N:3]-[S:7]	1	6052
+[C:1](-[c:2])(-[c:6](:[c:3]:[n:4]):[c:5])=[O:7]>>[C:1](-[c:2])(=[O:7])-[Cl:9].[c:3](:[n:4]):[c:6](:[c:5])-[Br:8]	1	6053
+[C:1]-[C:2](-[C:3])(-[C:4])-[c:6](:[c:5]):[c:7]>>[C:1]-[C:2](=[C:3])-[C:4].[c:5]:[c:6](:[c:7])-[I:8]	1	6057
+[N:1]=[C:2]-1-[N:3]-[C:4](-[c:5])(-[c:6]:2:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:2)-[c:12]:[c:14]-1:[n:13]>>[c:6]:1(:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Br:15].[N:1]#[C:2]-[c:14](:[c:12]-[C:4](=[N:3]-[S:20](-[C:17](-[C:16])(-[C:18])-[C:19])=[O:21])-[c:5]):[n:13]	1	6067
+[O:1]-[C:2](=[O:3])-[N:4]=[S:5]>>[N:4]=[S:5].[O:1]-[C:2](=[O:3])-[Cl:6]	1	6069
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[C:2]-[Zn+:6].[c:3](:[c:4])(:[c:5])-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1	1	6088
+[c:1]:1:[n:2]:[n:3]:[n:4]:[n:5]:1-[C:6](-[c:7])(-[c:8])-[c:9]>>[c:1]:1:[n:2]:[n:3]:[n:4]:[n:5]:1.[C:6](-[c:7])(-[c:8])(-[c:9])-[Cl:10]	1	6092
+[c:1]:[c:2](-[C:3]-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1):[n:9]>>[c:1]:[c:2](-[C:3]-[Cl:10]):[n:9].[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1	1	6113
+[c:1](:[c:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[c:8]):[n:9]>>[c:1](:[c:2]-[C:3](=[O:4])-[Cl:10]):[n:9].[N:5]-[c:6](:[n:7]):[c:8]	1	6147
+[c:1](:[n:2]):[c:4](:[n:3])-[N:5]>>[c:1](:[n:2]):[c:4](:[n:3])-[N:5]-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8](-[O:7]-[C:6]):[c:16]:[c:13]:1-[O:14]-[C:15]	1	6162
+[c:1]-[C:2]-[N:3](-[N:4]-[C:5]=[O:6])-[c:7]>>[c:1]-[C:2]-[Br:8].[N:3](-[N:4]-[C:5]=[O:6])-[c:7]	1	6163
+[c:1]-[O:2]-[C:3](-[c:4])-[c:5]>>[c:1]-[O:2].[C:3](-[c:4])(-[c:5])-[O:6]	1	6167
+[N:1]-[c:2](:[n:3]):[c:4]>>[N:1](-[c:2](:[n:3]):[c:4])-[C:11](=[O:12])-[c:13]:1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[F:10]	1	6177
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:1:2>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:9]:1-[N:8].[C:6](-[C:7]=[O:10])-[Cl:11]	1	6193
+[c:1]:1:[c:2](:[c:3]:[n:4]:[n:5]:1):[c:7](:[c:6])-[C:8](-[C:9])=[O:10]>>[c:1]:1:[c:2](:[c:3]:[n:4]:[n:5]:1):[c:7](:[c:6])-[C:13](-[O:12]-[C:11])=[O:14].[C:8](-[C:9])(=[O:10])-[O:15]-[C:16]	1	6198
+[n:1]:[c:2]:[c:3](-[N:4]-[C:5](=[O:6])-[c:7]:1:[c:8](:[n:9]):[n:10]:[n:11]:[c:12]:1):[s:13]>>[C:5](=[O:6])(-[c:7]:1:[c:8](:[n:9]):[n:10]:[n:11]:[c:12]:1)-[Cl:14].[n:1]:[c:2]:[c:3](-[N:4]):[s:13]	1	6206
+[O:1]=[C:2](-[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)-[c:9]:2:[c:10](:[n:11]):[n:12]:[n:13]:[c:14]:2>>[O:1]=[C:2](-[c:9]:1:[c:10](:[n:11]):[n:12]:[n:13]:[c:14]:1)-[Cl:15].[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1	1	6208
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-[C:10]>>[N:8]#[C:9]-[C:10].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:18]-[C:16](-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14])=[O:17]	1	6212
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[c:5]:[n:6]:[c:7]:[c:8]:[n:9]:2):[c:10]:[n:11]:1>>[c:4]:1(:[c:5]:[n:6]:[c:7]:[c:8]:[n:9]:1)-[Br:12].[n:1]:1:[c:2]:[c:3](:[c:10]:[n:11]:1)-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21]	1	6213
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[c:6](:[c:7]):[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[c:6](:[c:7])(:[c:8])-[B:10](-[O:9])-[O:11]	1	6225
+[C:1](-[N:2]-[C:3]-[Si:4](-[C:5])(-[C:6])-[C:7])(-[c:8])=[O:9]>>[C:1](-[c:8])(=[O:9])-[O:10].[N:2]-[C:3]-[Si:4](-[C:5])(-[C:6])-[C:7]	1	6227
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5]:[c:6](-[N:7]-[c:8](:[n:9]):[c:10]):[n:11]:[c:12]:1-[O:13]>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5]-[C:6]#[N:11])-[C:12](=[O:13])-[O:14].[N:7]-[c:8](:[n:9]):[c:10]	1	6262
+[C:1]-[S:2](-[C:3])=[N:4]-[C:5](=[O:6])-[C:7]>>[C:1]-[S:2]-[C:3].[N:4]-[C:5](=[O:6])-[C:7]	1	6263
+[c:1]:1:[n:2]:[n:3](-[C:4](=[O:5])-[c:6]):[c:7](:[c:8]):[c:10]:1:[n:9]>>[c:1]:1:[n:2]:[n:3]:[c:7](:[c:8]):[c:10]:1:[n:9].[C:4](=[O:5])(-[c:6])-[Cl:11]	1	6264
+[C:1]=[C:2]-[c:3]:1:[n:4]:[c:5](-[C:6]):[n:7]:[o:8]:1>>[N:4]-[C:5](-[C:6])=[N:7]-[O:8].[C:1]=[C:2]-[C:3](=[O:9])-[O:10]	1	6276
+[N:1]#[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[O:5].[N:1]#[C:2]	1	6295
+[C:1](=[O:2])(-[C:3])-[O:7]-[C:6]>>[C:1](=[O:2])(-[C:3])-[O:7].[C:4]-[O:11]-[C:10](-[O:5]-[C:6])-[O:9]-[C:8]	1	6315
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5]=[C:6](-[O:7])-[C:8]=[C:9]-1-[C:10]>>[C:1]-[N:2].[C:3]-1(=[O:4])-[C:5]=[C:6](-[O:7])-[C:8]=[C:9](-[C:10])-[O:11]-1	1	6323
+[c:1]-[C:2]-[C:3](-[C:4])-[c:6]:[c:5]:[n:7]>>[C:3](-[C:4])(-[c:6]:[c:5]:[n:7])=[O:10].[c:1]-[C:2]-[Mg:9]-[Br:8]	1	6337
+[c:1]:1:[n:2]:[n:3](-[C:4]-[c:5]:[c:7]:[n:6]):[c:8](:[c:9]):[c:10]:1>>[C:4](-[c:5]:[c:7]:[n:6])-[Br:11].[c:1]:1:[n:2]:[n:3]:[c:8](:[c:9]):[c:10]:1	1	6357
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](=[O:3])-[O:4]	1	6374
+[n:1]:[c:4](-[C:3]-[N:2]=[N+:7]=[N-:6]):[c:5]>>[n:1]:[c:4](-[C:3]-[O:8]):[c:5].[N-:2]=[N+:7]=[N-:6]	1	6389
+[c:1]-[C:2]=[C:3]-1-[c:8](:[c:6]-[C:4](=[O:5])-[O:9]-1):[c:7]>>[c:1]-[C:2]-[C:3](-[O:9])=[O:13].[C:4]-1(=[O:5])-[c:6]:[c:8](:[c:7])-[C:11](=[O:10])-[O:12]-1	1	6401
+[O:1]=[C:2]-1-[C:3]=[C:4]-[C:5](-[C:6])=[C:7]-[N:8]-1-[C:9]-[c:10]>>[C:9](-[c:10])-[Br:11].[O:1](-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]):[c:7]:[n:8]:1)-[C:12]	1	6406
+[C:1](=[O:2])(-[C:3]-[S:4]-[c:5]:1:[n:6]:[c:7]:[c:8]:[n:9]:1-[c:10])-[O:11]>>[S:4]=[C:5]-1-[N:6]-[C:7]=[C:8]-[N:9]-1-[c:10].[C:1](=[O:2])(-[C:3]-[Br:12])-[O:11]	1	6411
+[c:1]-[C:4](-[C:3](-[C:2])=[O:7])-[C:5]-[c:6]>>[C:5](-[c:6])-[Br:8].[c:1]-[C:4]-[C:3](-[C:2])=[O:7]	1	6431
+[c:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:[s:7]:1>>[c:1]-[C:2](-[N:3])=[S:7].[C:4](-[C:5])(-[C:6]-[Br:9])=[O:8]	1	6441
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](-[C:6]):[s:8]:1)-[C:7]>>[c:1]-[C:2](-[N:3])=[S:8].[C:4](-[C:5](-[C:6])=[O:9])(-[C:7])-[Cl:10]	1	6445
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+[O:1]=[C:2](-[O:3])-[c:4]:1:[c:5]:[n:6]:[c:7]:2:[n:8]:[c:9]:[c:10]:[c:11]:[c:12]:2:[c:13]:1-[O:14]>>[O:1]=[C:2](-[O:3])-[C:4]-1=[C:5]-[N:6](-[c:7]:2:[n:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14])-[C:21]-[c:20]:3:[c:19]:[c:18]:[c:17](-[O:16]-[C:15]):[c:25]:[c:22]:3-[O:23]-[C:24]	1	6465
+[O:1]-[c:2]:1:[c:3](-[c:4]:[c:6]:[n:5]):[c:7](-[O:8]):[n:9]:[c:10]:2:[n:11]:[c:12]:[c:13]:[n:14]:[c:15]:1:2>>[O:1]=[C:2](-[c:15]:1:[c:10](-[N:9]-[C:7](-[C:3]-[c:4]:[c:6]:[n:5])=[O:8]):[n:11]:[c:12]:[c:13]:[n:14]:1)-[O:17]-[C:16]	1	6472
+[c:1]-[c:2]:1:[n:3]:[c:4](-[O:5]):[n:6]:[c:7](-[c:8]):[c:9]:1>>[c:1]-[C:2](-[C:9]=[C:7]-[c:8])=[O:10].[N:3]-[C:4](=[O:5])-[N:6]	1	6504
+[N:1]#[C:2]-[C:3]-1=[C:4](-[N:5])-[c:6]:2:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:2-[N:12](-[C:13]-[c:14])-[C:15]-1=[O:16]>>[C:13](-[c:14])-[Br:17].[N:1]#[C:2]-[c:3]:1:[c:4](-[N:5]):[c:6]:2:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:2:[n:12]:[c:15]:1-[O:16]	1	6514
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:17].[c:3]:1(:[c:4]:[c:5]:[n:6]:[n:7]:1)-[B:12]-2-[O:11]-[C:9](-[C:10])(-[C:14](-[O:13]-2)(-[C:15])-[C:16])-[C:18]	1	6528
+[c:1]-[N:2]-1-[C:3]-[c:4]:[c:5]-[C:6]-1=[O:7]>>[C:3](-[c:4]:[c:5]-[C:6](=[O:7])-[O:9]-[C:8])-[Br:10].[c:1]-[N:2]	1	6584
+[C:1]-[N:2]-1-[C:3]-[c:4]:[c:5]-[C:6]-1=[O:7]>>[C:3](-[c:4]:[c:5]-[C:6](=[O:7])-[O:10]-[C:9]-[C:8])-[Br:11].[C:1]-[N:2]	1	6586
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[O:6]):[c:7]:2:[c:8]:[c:9]:[c:10]:[n:11]:[c:12]:2:[n:13]:[c:14]:1-[O:15]>>[C:1]-[C:2](=[O:3])-[C:4]-[C:14](-[N:13]-[c:12]:1:[c:7](-[C:5](=[O:6])-[O:17]-[C:16]):[c:8]:[c:9]:[c:10]:[n:11]:1)=[O:15]	1	6614
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[Cl:8].[C:1]-[N:2]	1	6620
+[c:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]):[o:7])-[C:8]>>[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[Cl:9].[c:1]-[N:2]-[C:8]	1	6622
+[c:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[N:6]=[C:7]>>[O:5]-[N:6]=[C:7].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	6625
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5](:[c:6]):[s:7]):[c:8]>>[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[Cl:9].[c:1]:[c:2]:[c:8]	1	6627
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[c:7](:[c:8]):[s:9])-[c:10]>>[C:5](=[O:6])(-[c:7](:[c:8]):[s:9])-[Cl:11].[N:1]-[C:2](=[O:3])-[C:4]-[c:10]	1	6628
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[c:6])-[c:7](:[c:8]):[s:9]>>[O:1]=[C:2](-[c:7](:[c:8]):[s:9])-[Cl:10].[N:3]-[c:4](:[n:5]):[c:6]	1	6630
+[c:1]:[n:5](:[c:3](:[c:2]):[c:4])-[N:6]=[C:7](-[C:8])-[C:9]>>[c:1]:[n:5](:[c:3](:[c:2]):[c:4])-[N:6].[C:8]-[C:11]#[N:10].[C:7](-[C:9])(=[O:12])-[O:13]	1	6665
+[C:1]-[c:2]:1:[c:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[c:9]:1-[C:10](=[O:11])-[O:12]>>[n:4](:[c:5]:[c:6]):[c:8](:[c:7])-[C:9]-[C:10](=[O:11])-[O:12].[C:1]-[C:2](-[C:3]-[Br:14])=[O:13]	1	6669
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]:[n:9]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[Cl:10]):[c:8]:[n:9]	1	6680
+[n:1]:[c:2]:[c:3]-[C:4]-[N:5]-[C:6]>>[N:5]-[C:6].[n:1]:[c:2]:[c:3]-[C:4]-[Br:7]	1	6686
+[C:1]-[C:2]-1=[C:3]-[C:4]=[C:5](-[C:6])-[N:7](-[C:8])-[C:9]-1=[O:10]>>[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]):[n:7]:[c:9]:1-[O:10].[C:8]-[I:11]	1	6717
+[C:1]=[C:2]-[n:3](:[c:4]:[c:5]):[n:6]>>[C:1](-[C:2]-[n:3](:[c:4]:[c:5]):[n:6])-[Cl:7]	1	6723
+[C:1]-[C:2](-[C:3])=[C:4]-[O:5]-[C:6]>>[C:1]-[C:2](-[C:3])=[C:4]-[O:5].[C:6]-[O:7]	1	6726
+[c:1]-[N:2]-[C:3]-1=[C:4](-[C:5](=[O:6])-[C:7]-1=[O:8])-[O:9]>>[C:3]-1(=[C:4](-[C:5](=[O:6])-[C:7]-1=[O:8])-[O:9])-[O:11]-[C:10].[c:1]-[N:2]	1	6727
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-1=[C:7](-[C:8])-[N:9]-[N:10]-[C:11]-1=[O:12]):[n:13]):[n:14]>>[N:5]-[C:6]-1=[C:7](-[C:8])-[N:9]-[N:10]-[C:11]-1=[O:12].[c:1](:[c:2](-[C:3](=[O:4])-[O:15]):[n:13]):[n:14]	1	6730
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](:[n:6]:[c:7](-[C:8]#[N:9]):[c:10](-[Cl:11]):[c:12]:1)-[Cl:13]>>[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[N+:6](-[C:7](=[C:8]=[N-:9])-[C:10](-[Cl:11])=[C:12]-1)=[O:14])-[Cl:13]	1	6734
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[c:6]):[n:7]:[c:8](-[C:9]#[N:10]):[c:11](-[Cl:12]):[c:13]:1>>[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[c:6])-[N+:7](-[C:8](=[C:9]=[N-:10])-[C:11](-[Cl:12])=[C:13]-1)=[O:14]	1	6735
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](:[c:7]:1-[C:8](=[O:9])-[C:10])-[C:11]>>[c:1]:[c:2]:[c:3](:[c:4])-[N:5]-[C:6](=[C:7]-[C:8](=[O:9])-[C:10])-[C:11]	1	6736
+[C:1]=[C:2]-[C:3]-[C:4]-[O:5]>>[C:1]=[C:2]-[C:3]-[C:4](-[O:5])=[O:6]	1	6737
+[O:1]=[C:2]-1-[C:3](-[N:4]-[C:5])=[N:6]-[C:7]=[C:8](-[Cl:9])-[N:10]-1.[C:11]-[O:16]-[S:13](-[C:12])(=[O:14])=[O:15]>>[O:1]=[C:2]-1-[C:3](=[N:4]-[C:5])-[N:6]-[C:7]=[C:8](-[Cl:9])-[N:10]-1.[C:11]-[O:16].[C:12]-[S:13](=[O:14])(=[O:15])-[Cl:17]	1	6741
+[O:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[O:6]-[C:7]-[C:8]):[c:9](:[c:10]:1-[Cl:11])-[Cl:12]>>[O:1]=[C:2]-1-[N:3]-[N:4]-[C:5](=[O:6])-[C:9](=[C:10]-1-[Cl:11])-[Cl:12].[C:7](-[C:8])-[Br:13]	1	6745
+[N:1]-[C:8](-[C:5](=[C:4](-[C:2])-[C:3])-[C:6](=[O:7])-[O:10])=[O:9]>>[N:1]-[C:8](-[C:5](=[C:4](-[C:2])-[C:3])-[C:6]#[N:13])=[O:9].[O:10]-[C:12]-[C:11].[O:7]	1	6746
+[O:1]=[C:2]-1-[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[N:8]-[C:9]-1=[O:10]>>[O:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:[c:9]:1-[O:10]	1	6747
+[N:1]-1-[C:2](=[O:3])-[N:4]=[N:5]-[C:6]-1=[O:7]>>[N:1]-1-[C:2](=[O:3])-[N:4]-[N:5]-[C:6]-1=[O:7]	1	6754
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[C:6])-[N:7]-[C:8](=[C:9](-[C:10](=[O:11])-[C:12])-[C:14]-1-[c:15](:[n:16]):[c:17])-[C:13]>>[C:8](-[C:9]-[C:10](=[O:11])-[C:12])(-[C:13])=[O:18].[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:19].[N:7].[C:14](-[c:15](:[n:16]):[c:17])=[O:20]	1	6756
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[s:6]:1)-[C:7](=[O:8])-[C:9])-[C:10]>>[C:4](-[C:5](-[C:7](=[O:8])-[C:9])-[Br:12])(-[C:10])=[O:11].[C:1]-[C:2](-[N:3])=[S:6]	1	6764
+[c:1]:[c:2](-[N:3]=[C:4]):[c:5]:[n:6]>>[c:1]:[c:2](:[c:5]:[n:6])-[Br:7].[N:3]=[C:4]	1	6769
+[O:1]=[C:2]-[N:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:9].[O:1]=[C:2]-[N:3]	1	6771
+[C:1]-1-[C:2]=[C:3](-[N:4](-[C:5]-[C:6])-[C:7](=[O:8])-[N:9]-1)-[Cl:10]>>[C:1]-1-[C:2]=[C:3](-[N:4]-[C:7](=[O:8])-[N:9]-1)-[Cl:10].[C:5](-[C:6])-[Br:11]	1	6780
+[C:1]-1-[C:2](=[O:3])-[N:4](-[C:5]-[c:6])-[C:7](=[O:8])-[N:9]-1>>[C:1]-1-[C:2](=[O:3])-[N:4]-[C:7](=[O:8])-[N:9]-1.[C:5](-[c:6])-[Cl:10]	1	6782
+[N:1]-[N:2](-[C:3](=[O:4])-[C:5](=[O:6])-[N:7])-[c:8]>>[N:2](-[C:3](=[O:4])-[C:5](=[O:6])-[N:7])-[c:8].[N:1]-[O:13]-[S:10](=[O:9])(=[O:11])-[O:12]	1	6789
+[c:1]:1-[C:2](-[N:3]-[C:4](-[c:5]:1)=[O:7])=[O:6]>>[c:1]:1-[C:2](=[O:6])-[O:8]-[C:4](-[c:5]:1)=[O:7].[N:3]-[C:10]=[O:9]	1	6792
+[O:1]=[C:2]-1-[N:3]-[N:4]-[C:5](-[c:6]:[c:7]-1)=[O:8]>>[O:1]=[C:2]-1-[c:7]:[c:6]-[C:5](=[O:8])-[O:9]-1.[N:3]-[N:4]	1	6794
+[c:1](-[C:2](=[O:3])-[O:4]):[c:5]-[N:6]>>[c:1]:1-[C:2](=[O:4])-[C:7](=[O:3])-[N:6]-[c:5]:1	1	6803
+[c:1]-[N:5](-[C:3](-[C:2]=[O:8])=[O:4])-[C:6]-[C:7]>>[c:1]-[N:5]-[C:3](-[C:2]=[O:8])=[O:4].[C:6](-[C:7])-[I:9]	1	6810
+[C:1](=[O:2])(-[c:3]:1:[n:4]:[n:5]:[c:6](:[c:7]):[c:9]:1:[c:8])-[O:10]>>[C:1]-1(=[O:2])-[C:3](-[c:9](:[c:6](-[N:5]-1):[c:7]):[c:8])=[O:10].[N:4](=[O:11])-[O:12]	1	6811
+[C:1]=[C:2](-[C:3])-[C:4]-[N:5](-[C:6]=[O:7])-[C:8]=[O:9]>>[C:1]=[C:2](-[C:3])-[C:4]-[Br:10].[N:5](-[C:6]=[O:7])-[C:8]=[O:9]	1	6812
+[N:1]-[C:4](=[C:3](-[C:2])-[N:8])-[N:5]-[C:6](-[C:7])=[O:9]>>[N:1]-[C:4](=[C:3](-[C:2])-[N:8])-[N:5].[C:6](-[C:7])(=[O:9])-[O:10]	1	6843
+[N:1]-[C:2]=[C:3](-[C:4]-[C:5])-[C:6]=[C:7]>>[N:1]-[C:2]=[C:3](-[C:4](-[C:5])=[O:8])-[C:6]=[C:7]	1	6845
+[N:1]-1-[C:2]=[C:3]-[C:4]-2=[C:5](-[N:6]-[C:7](=[S:8])-[N:9](-[c:10])-[C:11]-2=[O:12])-[C:13]-1=[O:14]>>[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5](-[N:6])-[C:13]-1=[O:14])-[C:11](=[O:12])-[O:17]-[C:16]-[C:15].[C:7](=[S:8])=[N:9]-[c:10]	1	6846
+[N:1]-[C:2]=[C:3](-[C:4]#[C:5]-[C:6])-[C:7](=[O:8])-[N:9]>>[N:1]-[C:2]=[C:3](-[C:7](=[O:8])-[N:9])-[I:10].[C:4]#[C:5]-[C:6]	1	6850
+[C:1](=[O:2])-[O:3]-[C:4]-1=[C:5]-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1>>[C:4]-1(-[C:6](-[C:5]-[C:8]-[C:9]-[C:10]-1)=[O:7])=[O:11].[C:1](=[O:2])-[O:3]	1	6852
+[C:1]-[N:2]=[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:6].[C:1]-[N:2]	1	6866
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[N:6]-[C:7]-[C:9](-[N:8])=[O:10]>>[N:6]-[C:7]-[C:9](-[N:8])=[O:10].[O:1]-[C:2](=[O:3])-[C:4](-[C:5])=[O:11]	1	6876
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:7](-[N:6])=[O:8]>>[N:4]-[C:5]-[C:7](-[N:6])=[O:8].[C:1]-[C:2](=[O:3])-[O:16]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	1	6877
+[C:1]-[C:2]-1=[N:3]-[c:4]:[c:5]-[C:6](=[O:7])-[N:8]-1-[C:9]-[C:11](-[N:10])=[O:12]>>[N:8]-[C:9]-[C:11](-[N:10])=[O:12].[N:3]-[c:4]:[c:5]-[C:6](=[O:7])-[O:15].[C:1]-[C:2](=[O:13])-[Cl:14]	1	6879
+[C:1](-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[C:7]-1=[O:8])-[C:9](=[O:10])-[N:11]>>[C:1](-[N:2])-[C:9](=[O:10])-[N:11].[C:3](-[O:4])(-[c:5]:[c:6]-[C:7](-[O:8])=[O:13])=[O:12]	1	6882
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[P:6](=[O:7])(-[O:8]-[C:9])-[O:10]-[c:11]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[O:8]-[C:9].[P:6](=[O:7])(-[Cl:12])(-[Cl:13])-[Cl:14].[O:10]-[c:11]	1	6892
+[C:1]-[N:2]-[C:3](=[N:4]-[C:5]-[C:10](-[C:8]-[O:9])-[O:11])-[S:12].[C:6]-[O:7]>>[C:1]-[N:2]=[C:3](-[N:4]-[C:5]-[C:10](-[C:8]-[O:9]-[C:19](-[C:20])=[O:21])-[O:11]-[C:16](-[C:17])=[O:18])-[S:12].[C:6]-[O:7]-[C:14](-[C:13])=[O:15]	1	6893
+[N:1]-1-[C:2]=[C:3](-[C:4]#[C:5]-[C:6])-[C:7](=[N:8])-[N:9]-[C:10]-1=[O:11]>>[N:1]-1-[C:2]=[C:3](-[C:7](-[N:8])=[N:9]-[C:10]-1=[O:11])-[I:12].[C:4]#[C:5]-[C:6]	1	6894
+[c:1]:[c:5]:[n+:4]:[c:3](:[c:2])-[N:6]-[C:7]>>[N:6]-[C:7].[c:1]:[c:5]:[n+:4]:[c:3]:[c:2]	1	6896
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:3]=[C:4](-[c:5])-[N:6]-[O:7].[c:1]-[C:2](=[O:8])-[Cl:9]	1	6902
+[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](-[C:6])(-[C:7])-[C:8]-1=[O:9]>>[C:5](-[C:6])(-[C:7])=[O:9].[N:1]#[C:8].[N:4].[C:2](-[O:3])(=[O:10])-[O:11]	1	6905
+[C:1]-[C:2]=[C:3]-[C:4]-[Br:5]>>[C:1]-[C:2]=[C:3]-[C:4].[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11]	1	6908
+[C:1]-[C:2]=[C:3](-[O:4]-[S:5](=[O:6])(=[O:7])-[C:8](-[F:9])(-[F:10])-[F:11])-[C:12]>>[C:1]-[C:2]-[C:3](=[O:4])-[C:12].[S:5](=[O:6])(=[O:7])(-[C:8](-[F:9])(-[F:10])-[F:11])-[N:16](-[S:14](=[O:13])(=[O:15])-[C:23](-[F:24])(-[F:25])-[F:26])-[c:17]:1:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:1	1	6912
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[Cl:6]>>[C:1]-[N:3]-[C:2].[C:4](=[O:5])(-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[O:13]-[C:14](-[Cl:7])(-[Cl:15])-[Cl:16].[Cl:6]	1	6914
+[c:1]-1:[c:2](:[n:3])-[N:4]-[C:5](=[O:6])-[n:7]:2:[n:8]:[c:9]:[n:10]:[c:11]-1:2>>[c:1](:[c:2](:[n:3])-[N:4]-[C:5](=[O:6])-[O:14]-[C:13]-[C:12])-[C:11]#[N:10].[N:7]-[N:8]-[C:9]=[O:15]	1	6923
+[c:1]:[c:2](:[n:3])-[N:4](-[C:5]-[c:6])-[C:7](=[O:8])-[n:9]>>[c:1]:[c:2](:[n:3])-[N:4]-[C:7](=[O:8])-[n:9].[C:5](-[c:6])-[Br:10]	1	6924
+[C:1]-[C:2](=[C:3]-[C:4](=[N:5]-[O:6])-[C:7])-[C:8]>>[C:1]-[C:2](=[C:3]-[C:4](-[C:7])=[O:9])-[C:8].[N:5]-[O:6]	1	6937
+[C:1]-[C:2]-[O:3]-[c:4]:1:[n:5]:[o:6]:[c:7]:[c:8]:1>>[O:3]=[C:4]-1-[N:5]-[O:6]-[C:7]=[C:8]-1.[C:1]-[C:2]-[O:9]	1	6945
+[C:1]-[N:2]-[C:3]-[C:4](=[C:5])-[C:7](-[N:6])=[O:8]>>[C:3](-[C:4](=[C:5])-[C:7](-[N:6])=[O:8])=[O:9].[C:1]-[N:2]	1	6946
+[C:1](-[C:2])(-[C:3]-[C:4](=[O:5])-[N:6]-[c:7])=[O:8]>>[C:1]-1(=[C:2])-[C:3]-[C:4](=[O:5])-[O:8]-1.[N:6]-[c:7]	1	6957
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Br:9]	1	6959
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](=[C:6](-[C:7])-[C:8])-[C:9]>>[O:4]-[C:5](=[C:6](-[C:7])-[C:8])-[C:9].[C:1]-[C:2](=[O:3])-[Cl:10]	1	6960
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](:[c:7]:1-[C:8](=[O:9])-[C:10])-[C:11]>>[C:1]-[C:2](-[C:7](-[C:6](-[C:11])=[O:13])-[C:8](=[O:9])-[C:10])=[O:12].[N:3]-[N:4]-[c:5]	1	6963
+[c:1]:1:[c:2]:2:[n:3]:[c:4]:[n:5](-[C:6]-[C:7]=[C:8]):[c:9]:2:[n:10]:[c:11]:[n:12]:1>>[C:4](-[O:14]-[C:13]-[C:21])(-[O:15]-[C:16]-[C:17])-[O:18]-[C:19]-[C:20].[c:1]:1:[c:2](-[N:3]):[c:9](-[N:5]-[C:6]-[C:7]=[C:8]):[n:10]:[c:11]:[n:12]:1	1	6964
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]:[n:7]:1)-[C:8](=[O:9])-[C:10])-[C:11]>>[C:4](-[C:5](=[C:6]-[N:13](-[C:12])-[C:14])-[C:8](=[O:9])-[C:10])(-[C:11])=[O:15].[N:1]-[C:2](-[N:3])=[N:7]	1	6967
+[O:1]-[C:2](=[C:3](-[C:4](-[C:5])=[N:6]-[O:7])-[C:8]=[O:9])-[C:10]>>[O:1]-[C:2](=[C:3](-[C:4](-[C:5])=[O:11])-[C:8]=[O:9])-[C:10].[N:6]-[O:7]	1	6970
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8](:[c:9]):[n:10]>>[C:6](=[O:7])(-[c:8](:[c:9]):[n:10])-[O:13]-[N:12]-1-[C:15](=[O:14])-[C:16]-[C:17]-[C:18]-1=[O:11].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]	1	6974
+[n:1]:[c:2](-[n:3]:1:[c:4]:[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]):[n:10]>>[n:1]:[c:2](-[N:3]-[c:7](:[c:6](-[N:5]):[c:9]):[c:8]):[n:10].[C:4](-[O:12]-[C:11])(-[O:13]-[C:14])-[O:15]-[C:16]	1	6985
+[C:1]-[C:2]-[c:3]>>[C:1]-[C:2](-[c:3])-[O:7]-[C:5](-[C:4])=[O:6]	1	6990
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]-[O:4].[O:3]=[S:8](-[O:5])(-[O:6])=[O:7]	1	6991
+[C:1]-[O:2]-[c:3]:1:[n:4]:[o:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:1]-[O:2].[C:3]-1(-[N:4]-[O:5]-[c:6](:[c:7]-1:[c:8]):[c:9])=[O:10]	1	7033
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:14]-[C:12](=[O:11])-[O:13].[C:1]-[N:3]-[C:2]	1	7059
+[n:1]:[c:2]:[c:3]-[O:4]-[C:5](-[C:6])-[c:7]>>[n:1]:[c:2]:[c:3]-[O:4].[C:5](-[C:6])(-[c:7])-[Cl:8]	1	7080
+[N:1]-[C:2]=[C:3](-[N:4])-[C:5](=[O:6])-[N:7]>>[N:1]-[C:2]=[C:3](-[N+:4](=[O:8])-[O-:9])-[C:5](=[O:6])-[N:7]	1	7081
+[N:1]-[C:2]=[C:3](-[N:4]-[S:5](=[O:6])(=[O:7])-[C:8])-[C:9](=[O:10])-[N:11]>>[N:1]-[C:2]=[C:3](-[N:4])-[C:9](=[O:10])-[N:11].[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:12]	1	7082
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[C:1]-[C:2](-[N:3]-[O:9])=[N:7].[O:4]-[C:5](-[c:6])=[O:8]	1	7089
+[C:1]-[n:2]:1:[n:3]:[c:4](-[c:5](:[n:6]):[c:8]:[n:7]):[c:9]:[c:10]:1-[O:14]-[S:12](=[O:11])(=[O:13])-[C:15](-[F:16])(-[F:17])-[F:18]>>[C:1]-[N:2]-1-[N:3]=[C:4](-[c:5](:[n:6]):[c:8]:[n:7])-[C:9]-[C:10]-1=[O:14].[O:11]=[S:12](=[O:13])(-[C:15](-[F:16])(-[F:17])-[F:18])-[N:22](-[S:20](=[O:19])(=[O:21])-[C:29](-[F:30])(-[F:31])-[F:32])-[c:23]:1:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:1	1	7093
+[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[C:7]=[C:8]-1-[N:9]-[C:10]>>[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[C:7]=[C:8]-1-[Cl:11].[N:9]-[C:10]	1	7102
+[C:1]=[C:2](-[N:3]-[C:4](=[O:5])-[N:6]-[c:7])-[C:8](=[O:9])-[N:10]>>[C:1]=[C:2](-[N:3])-[C:8](=[O:9])-[N:10].[C:4](=[O:5])=[N:6]-[c:7]	1	7115
+[N:1]#[C:2]-[c:3](:[c:4]:[n:5]):[n:6]>>[N:1](=[C:2]-[c:3](:[c:4]:[n:5]):[n:6])-[O:7]	1	7118
+[C:1]-1=[C:2]-[C:3](=[O:4])-[N:5](-[C:6]-[O:7])-[C:8](=[O:9])-[N:10]-1>>[C:1]-1=[C:2]-[C:3](=[O:4])-[N:5]-[C:8](=[O:9])-[N:10]-1.[C:6](-[O:7])-[Cl:11]	1	7127
+[O:1]-[c:2]:1:[n:3]:[c:4](-[S:5]-[C:6]-[c:7]):[n:8]:[c:9]:[c:10]:1-[C:11](=[O:12])-[O:13]>>[O:1]=[C:2]-1-[N:3]-[C:4](=[S:5])-[N:8]-[C:9]=[C:10]-1-[C:11](=[O:12])-[O:13].[C:6](-[c:7])-[Cl:14]	1	7128
+[O:1]-[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[O:8]>>[O:1]-[C:2]-1=[C:3]-[N:4]-[C:5](-[N:6]-[C:7]-1=[O:8])=[S:9]	1	7129
+[c:1]-[C:2]=[C:3](-[C:4](=[O:5])-[N:6])-[C:8](-[N:7])=[O:9]>>[C:3](-[C:4](=[O:5])-[N:6])-[C:8](-[N:7])=[O:9].[c:1]-[C:2]=[O:10]	1	7133
+[C:1]-[N:2]-1-[C:3]=[C:4](-[N+:5])-[C:6]-[N:7]-[C:8]-1=[O:9]>>[N:2]-1-[C:3]=[C:4](-[N+:5])-[C:6]-[N:7]-[C:8]-1=[O:9].[C:1]-[I:10]	1	7136
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[S:6]-[C:7]-[C:8]):[n:9]:[c:10]:1-[O:11]>>[C:1]-[C:2]-1=[C:3]-[N:4]-[C:5](=[S:6])-[N:9]-[C:10]-1=[O:11].[C:7](-[C:8])-[I:12]	1	7137
+[C:1]-1=[C:2]-[N:3](-[C:4]-[C:5])-[C:6](=[O:7])-[N:8]-[C:9]-1>>[C:1]-1=[C:2]-[N:3]-[C:6](=[O:7])-[N:8]-[C:9]-1.[C:4](-[C:5])-[Br:10]	1	7138
+[c:1]-[C:2]-1-[C:3]-2=[C:4](-[C:5]-[C:6]-[C:7]-2=[O:8])-[N:9]-[C:10]-3=[C:11]-1-[C:12](=[O:13])-[N:14]-[N:15]-3>>[N:9]-[C:10]-1=[C:11]-[C:12](=[O:13])-[N:14]-[N:15]-1.[C:3]-1-[C:4](-[C:5]-[C:6]-[C:7]-1=[O:8])=[O:16].[c:1]-[C:2]=[O:17]	1	7145
+[O:1]=[C:2]-1-[C:3]=[C:4]-[C:5](=[O:6])-[N:7]-1-[C:8]>>[N:7]-[C:8].[O:1]=[C:2]-1-[C:3]=[C:4]-[C:5](=[O:6])-[N:13]-1-[C:11](-[O:10]-[C:9])=[O:12]	1	7146
+[C:1]-[O:2]-[c:3]:1:[n:4]:[o:5]:[c:6](-[C:7](=[O:8])-[O:10]):[c:9]:1>>[C:3]-1(-[N:4]-[O:5]-[C:6](-[C:7](=[O:8])-[O:10])=[C:9]-1)=[O:11].[C:1]-[O:2]	1	7148
+[O:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:3:[n:8]:[c:9]:[n:10]:[c:11]:3:[c:12]:2:[n:13]:[c:14]:1-[O:15]>>[O:1]=[C:2]-1-[N:3]-[c:4]:2:[c:5]:[c:6]:[c:7](-[N:8]):[c:11](-[N:10]):[c:12]:2-[N:13]-[C:14]-1=[O:15].[C:9](=[O:16])-[O:17]	1	7161
+[C:1](-[C:2]=[O:3])-[Cl:4]>>[C:1]-[C:2]=[O:3].[Cl:4]-[I:6](=[O:5])=[O:7]	1	7166
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]=[O:6]>>[C:4](-[C:5]=[O:6])-[Cl:7].[N-:1]=[N+:2]=[N-:3]	1	7169
+[c:1]-[C:2](-[N:3]-[C:4])=[C:5]-[C:6](=[O:7])-[N:8]>>[c:1]-[C:2](=[C:5]-[C:6](=[O:7])-[N:8])-[O:9].[N:3]-[C:4]	1	7171
+[C:1]-[C:2](-[c:3])-[C:5](-[C:4])-[C:6]>>[C:1]-[C:2](-[c:3])=[C:5](-[C:4])-[C:6]	1	7173
+[c:1]-[N:2]-1-[C:3](=[O:4])-[C:5]=[C:6](-[C:7])-[C:8]-1=[O:9]>>[C:3]-1(=[O:4])-[C:5]=[C:6](-[C:7])-[C:8](=[O:9])-[O:10]-1.[c:1]-[N:2]	1	7176
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[c:6]>>[C:3]-1-[C:4]-[C:15](-[O:7]-[C:8])-[O:14]-[C:13]-1-[O:12]-[C:11].[N:5]-[c:6].[C:1](-[C:2])(=[O:9])-[O:10]	1	7179
+[C:1]-[C:2]-1=[C:3]-[C:4]=[C:5]-[N:6]-2-[C:7](=[O:8])-[C:9](-[C:10]-[C:11]-[Cl:16])=[C:12](-[C:13])-[N:14]=[C:15]-1-2>>[C:7]-1(=[O:8])-[C:9](-[C:10]-[C:11]-[O:22]-1)-[C:12](-[C:13])=[O:21].[Cl:16]-[P:18](=[O:17])(-[Cl:19])-[Cl:20].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:15]:1-[N:14]	1	7185
+[N:1]-[C:2](-[C:3])=[C:4](-[c:5](:[n:6]:[c:7]:[c:8]):[c:9])-[C:10](=[O:11])-[N:12]>>[N:1]-[C:2](-[C:3])=[C:4](-[C:10](=[O:11])-[N:12])-[Br:13].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Sn:18](-[C:17]-[C:16]-[C:15]-[C:14])(-[C:19]-[C:20]-[C:21]-[C:22])-[C:23]-[C:24]-[C:25]-[C:26]	1	7194
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]=[O:6]>>[N:3](-[C:4])-[C:5]=[O:6].[c:1]-[C:2]-[Br:7]	1	7209
+[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1>>[n:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:1)-[C:7](=[O:6])-[O:8]	1	7213
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]=[N:6]):[c:7]:[s:8]:1>>[C:4](-[C:5]=[N:6])(-[C:7]-[Cl:10])=[O:9].[C:1]-[C:2](-[N:3])=[S:8]	1	7219
+[n:1]:[c:2](-[c:3]:1:[n:4]:[c:5](-[C:6]#[N:7]):[c:8]:[c:9]:[c:10]:1):[c:11]:[s:12]>>[n:1]:[c:2](-[C:3]=1-[N+:4](-[C:5](=[C:6]=[N-:7])-[C:8]=[C:9]-[C:10]=1)=[O:13]):[c:11]:[s:12]	1	7247
+[C:1]-[C:2](=[C:3](-[F:4])-[F:5])-[C:6]>>[C:1]-[C:2](-[C:6])=[O:21].[C:3](-[F:4])(-[F:5])-[P:8](=[O:7])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2	1	7254
+[O:1]=[C:2]=[N:3]-[C:4](-[C:5])(-[C:6])-[c:7]>>[O:1]=[C:2](-[C:4](-[C:5])(-[C:6])-[c:7])-[O:8].[N:3](=[N+:10]=[N-:9])-[P:11](=[O:12])(-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)-[c:19]:2:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:2	1	7255
+[C:1]-[C:2]=[C:3]-[C:4]>>[C:1]-[C:2]-[C:3](-[C:4])-[O:5]	1	7256
+[N:1]-[C:10](-[C:5](=[C:4](-[C:2])-[C:3])-[C:6](=[O:7])-[N:8]-[C:9])=[O:11]>>[N:1]-[C:10](-[C:5](=[C:4](-[C:2])-[C:3])-[C:6](=[O:7])-[O:12])=[O:11].[N:8]-[C:9]	1	7259
+[c:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[c:6](:[c:7](-[C:8]):[n:10]:1)-[C:9]>>[S:3]=[C:4]-1-[N:5]-[C:6](=[C:7](-[C:8])-[N:10]-1)-[C:9].[c:1]-[C:2]-[Cl:11]	1	7263
+[C:1]-[n:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1>>[C:3]=1-[C:4]=[C:9]-2-[C:8]-[C:7]-[C:10]=1-[C:11]-2.[C:1]-[N:2]=[N+:6]=[N-:5]	1	7265
+[C:1]-[C:6](-[C:5]-[C:3](-[C:2])=[O:4])-[C:7]>>[C:1]-[C:6](=[C:5]-[C:3](-[C:2])=[O:4])-[C:7]	1	7268
+[C:1]-[O:2]-[C:3]-[c:4]:1:[c:5]:[o:6]:[n:7]:[c:8]:1>>[C:3](-[c:4]:1:[c:5]:[o:6]:[n:7]:[c:8]:1)-[Cl:9].[C:1]-[O:2]	1	7301
+[C:1]-[C:2](=[O:3])-[N:4]=[C:5](-[N:6]-[C:7])-[N:8]>>[C:1]-[C:2](=[O:3])-[O:9]-[C:10].[N:4]-[C:5](=[N:6]-[C:7])-[N:8]	1	7328
+[O:1]-[C:2]-[O:3]-[C:4]>>[O:3]-[C:4].[O:1]-[C:2]-[O:6]-[C:5]	1	7331
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5](-[C:6]#[C:7]-[C:8]):[n:9]:1>>[C:6]#[C:7]-[C:8].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5](:[n:9]:1)-[Cl:10]	1	7333
+[C:1]-[O:2]-[C:3](-[C:4])(-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])(-[C:6])-[Br:7].[C:1]-[O:2]	1	7336
+[c:1]:[c:2](-[C:3](-[C:4])(-[C:5])-[C:6]):[c:7]>>[C:3](-[C:4])(-[C:5])(-[C:6])-[Br:8].[c:1]:[c:2]:[c:7]	1	7337
+[C:1]-[O:2]-[C:3](=[C:4]-[C:5](=[C:6]-[C:7])-[C:8])-[C:9]>>[C:1]-[O:10].[O:2]=[C:3](-[C:4]=[C:5](-[C:6]-[C:7])-[C:8])-[C:9]	1	7353
+[C:1]-[C:2](=[C:3]-[C:4](-[O:5])-[C:6])-[C:7]>>[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[C:6])-[C:7]	1	7354
+[O:1]=[C:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[O:1]-1-[C:11]-[C:10]-[C:9]-[C:12]-1.[C:2](-[C:6])#[N:13].[c:3](:[c:4])(:[c:5])-[Mg:8]-[Br:7]	1	7355
+[C:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[C:6]-[C:7]-[C:8]-1-[C:9]>>[C:1]-[C:2]=1-[C:3]-[C:4](-[O:5]-[C:10])=[C:6]-[C:7]-[C:8]=1-[C:9]	1	7360
+[C:1]-[C:2](-[C:3]-1-[C:4]-[C:5]-1)=[C:6]>>[C:3]-1(-[C:4]-[C:5]-1)-[Mg:9]-[Br:8].[C:1]-[C:2](=[C:6])-[Br:7]	1	7379
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]-[O:11]-[C:17](-[C:16])=[O:18]):[n:7]:[c:8]:1-[C:9]#[N:10]>>[O:11](-[C:13](-[C:12])=[O:14])-[C:17](-[C:16])=[O:18].[C:1]-[C:2]-1=[C:3]-[C:4]=[C:5](-[C:6])-[N+:7](-[C:8]-1=[C:9]=[N-:10])=[O:15]	1	7380
+[C:1](-[N:2]-[C:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)=[C:9])=[O:10]>>[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19].[C:1](-[N:2]-[C:3](=[C:9])-[Cl:20])=[O:10]	1	7388
+[N:1]-1-[C:2]=[C:3]-[C:4](-[c:5](:[c:6]):[c:7])=[C:8](-[C:9])-[C:10]-1=[O:11]>>[c:5](:[c:6])(:[c:7])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21].[N:1]-1-[C:2]=[C:3]-[C:4](=[C:8](-[C:9])-[C:10]-1=[O:11])-[Br:12]	1	7391
+[C:1]-[c:2]:1:[c:3](-[C:4]-[O:11]-[C:16](-[C:15])=[O:17]):[n:5]:[c:6](-[C:7]#[N:8]):[c:9]:[c:10]:1>>[O:11](-[C:12](=[O:13])-[C:18])-[C:16](-[C:15])=[O:17].[C:1]-[C:2]-1=[C:3](-[C:4])-[N+:5](-[C:6](=[C:7]=[N-:8])-[C:9]=[C:10]-1)=[O:14]	1	7392
+[N:1]-1-[C:2]=[C:3]-[C:4](-[c:5](:[c:6]):[c:7])=[C:8]-[C:9]-1=[O:10]>>[c:5](:[c:6])(:[c:7])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[N:1]-1-[C:2]=[C:3]-[C:4](=[C:8]-[C:9]-1=[O:10])-[Br:11]	1	7395
+[N:1]-1-[C:2]=[C:3]-[C:4](-[N:5](-[C:6])-[C:7])=[C:8]-[C:9]-1=[O:10]>>[N:5](-[C:6])-[C:7].[N:1]-1-[C:2]=[C:3]-[C:4](=[C:8]-[C:9]-1=[O:10])-[Br:11]	1	7396
+[C:1]-1(=[C:2]-[C:3](=[O:4])-[N:5]-[C:6]=[C:7]-1)-[B:9](-[O:8])-[O:10]>>[O:8]-[B:9](-[O:10])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[C:1]-1(=[C:2]-[C:3](=[O:4])-[N:5]-[C:6]=[C:7]-1)-[Br:11]	1	7397
+[C:1]-[C:2](-[O:3])(-[C:4](=[C:5]-[N:6])-[C:8]=[C:7])-[C:9](-[F:10])(-[F:11])-[F:12]>>[C:1]-[C:2](=[O:3])-[C:4](=[C:5]-[N:6])-[C:8]=[C:7].[C:9](-[F:10])(-[F:11])(-[F:12])-[Si:14](-[C:13])(-[C:15])-[C:16]	1	7398
+[C:1]-1(-[C:2]-[C:3]-[C:4](-[c:5](:[c:6]):[c:7])-[C:8]-1)=[O:9]>>[C:1]-1(-[C:2]-[C:3]-[C:4]=[C:8]-1)=[O:9].[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12]	1	7400
+[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[N:6](-[C:7])-[C:8])-[C:9]-1=[O:10]>>[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[C:9]-1=[O:10])-[Br:11].[N:6](-[C:7])-[C:8]	1	7405
+[O:1]=[C:2]-1-[C:3](-[c:4](:[c:5]):[c:7]:[n:6])=[C:8]-[C:9]=[C:10]-[N:11]-1>>[O:1]=[C:2]-1-[C:3](=[C:8]-[C:9]=[C:10]-[N:11]-1)-[Br:12].[c:4](:[c:5])(:[c:7]:[n:6])-[B:14](-[O:13])-[O:15]	1	7406
+[O:1]=[C:2](-[C:3])-[N:4]-1-[C:5]-[C:6]=[C:7]-[C:8]-1>>[O:1]=[C:2](-[C:3])-[O:9].[N:4]-1-[C:5]-[C:6]=[C:7]-[C:8]-1	1	7416
+[C:1]-[C:2](=[C:3](-[c:4](:[c:5]):[c:6])-[C:7](=[O:8])-[N:9])-[N:10]>>[C:1]-[C:2](=[C:3](-[C:7](=[O:8])-[N:9])-[I:11])-[N:10].[c:4](:[c:5])(:[c:6])-[B:13](-[O:12])-[O:14]	1	7417
+[C:1]-[C:2](=[C:3](-[C:4](=[O:5])-[N:6])-[I:8])-[N:7]>>[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[N:6])-[N:7].[I:8]-[I:9]	1	7418
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5](-[C:6](=[O:7])-[O:11]):[n:8]:[n:9]:1-[C:10]>>[C:3]-1(-[C:4]-[C:5](-[C:6](=[O:7])-[O:11])=[N:8]-[N:9]-1-[C:10])=[O:12].[C:1]-[O:2]	1	7423
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[c:6]:2:[c:7]:[c:8]:[n:9]:[n:10]:2:[c:11](:[c:12]:1)-[Cl:13]>>[O:1]-[C:2](=[O:3])-[C:4]-1=[N:5]-[c:6]:2:[c:7]:[c:8]:[n:9]:[n:10]:2-[C:11](-[C:12]-1)=[O:18].[Cl:13]-[P:15](=[O:14])(-[Cl:16])-[Cl:17]	1	7424
+[c:1]-[N:2]-[C:3](=[C:4](-[C:5])-[C:6](=[O:7])-[C:8])-[C:9]>>[C:3](-[C:4](-[C:5])-[C:6](=[O:7])-[C:8])(-[C:9])=[O:10].[c:1]-[N:2]	1	7425
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:7](-[C:6])=[O:8]>>[C:3](=[O:4])(-[C:5])-[O:9]-[C:7](-[C:6])=[O:8].[C:1]-[N:2]	1	7434
+[O:1]-[C:2]-1=[C:3](-[c:4](:[c:5]):[c:6])-[C:7](=[O:8])-[C:9]-[C:10]-1>>[O:1]-[C:2]-1=[C:3](-[C:7](=[O:8])-[C:9]-[C:10]-1)-[Br:11].[c:4](:[c:5])(:[c:6])-[B:13](-[O:12])-[O:14]	1	7436
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]=[N:7]>>[C:4](=[O:5])(-[C:6]=[N:7])-[O:8].[C:1]-[N:2]-[C:3]	1	7437
+[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](-[O:6]):[n:7]:[c:8](-[c:9]):[n:10]:1>>[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:13]-[C:12]-[C:11])=[O:14].[N:7]=[C:8](-[c:9])-[N:10]	1	7442
+[n:1]:[c:2]:[c:3]-[C:4]-[n:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:1>>[n:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:1.[n:1]:[c:2]:[c:3]-[C:4]-[O:12]-[S:14](=[O:10])(=[O:11])-[C:13]	1	7472
+[C:1]-[C:2](=[O:3])-[S:4]-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])-[O:8].[C:1]-[C:2](-[O:3])=[S:4]	1	7483
+[C:1](-[C:2])(-[C:3])=[O:4]>>[C:1](-[C:2])(-[C:3])(-[O:4])-[C:6]-[O:5]	1	7486
+[C:1]-[C:2](-[C:4](-[C:3](-[C:6])=[O:7])-[C:5])=[O:8]>>[C:1]-[C:2](=[O:8])-[n:11]:1:[c:10]:[c:9]:[n:13]:[c:12]:1.[C:3](-[C:4]-[C:5])(-[C:6])=[O:7]	1	7496
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6]>>[O:5]-[C:6].[C:3](=[O:4])(-[Cl:7])-[Cl:8].[C:1]-[N:2]	1	7501
+[c:1](-[C:2](-[F:3])(-[C:4])-[C:5]):[c:6]:[n:7]>>[c:1](-[C:2](-[C:4])(-[C:5])-[O:16]):[c:6]:[n:7].[F:3]-[S:13](-[N:10](-[C:9]-[C:8])-[C:11]-[C:12])(-[F:14])-[F:15]	1	7504
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5])-[C:6]):[c:7](:[c:8]):[c:9]:1>>[C:4](-[C:5])(-[C:6])-[Br:10].[c:1]:1:[c:2]:[n:3]:[c:7](:[c:8]):[c:9]:1	1	7510
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[C:7]):[c:8]:[c:9]:2:[c:10]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5]):[c:9](-[C:8]#[C:6]-[C:7]):[c:10]:1	1	7511
+[c:1]:1:[c:2]:2:[c:3]:[c:4](-[C:5]):[n:6]:[c:7]:2:[n:8]:[c:9]:[c:10]:1>>[C:4](-[C:5])(=[O:11])-[N:21](-[O:20]-[C:19])-[C:22].[c:1]:1:[c:2](-[C:3]):[c:7](-[N:6]-[C:17](-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15])=[O:18]):[n:8]:[c:9]:[c:10]:1	1	7512
+[c:1]:1:[c:2]:[c:3](-[C:4](-[C:5])-[C:6]):[c:7]:[n:8]:[n:9]:1>>[C:4](-[C:5])(-[C:6])-[C:11](=[O:10])-[O:12].[c:1]:1:[c:2]:[c:3]:[c:7]:[n:8]:[n:9]:1	1	7522
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](-[C:6]):[s:8]:1)-[C:7]>>[C:4](-[C:5](-[C:6])=[O:10])(-[C:7])-[Br:9].[C:1]-[C:2](-[N:3])=[S:8]	1	7531
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](-[C:6]):[s:8]:1)-[C:7]>>[C:4](-[C:5](-[C:6])=[O:9])(-[C:7])-[Br:10].[c:1]-[C:2](-[N:3])=[S:8]	1	7532
+[n:1]:[c:2]:[c:3](-[O:4]-[c:5]):[c:6]>>[O:4]-[c:5].[n:1]:[c:2]:[c:3](:[c:6])-[I:7]	1	7542
+[n:1]:[c:2]:[c:3](-[O:4]-[c:5]):[c:6]:[n:7]>>[O:4]-[c:5].[n:1]:[c:2]:[c:3](:[c:6]:[n:7])-[Br:8]	1	7543
+[N:1]-[C:7](-[N:3](-[C:2])-[c:4](:[c:5]):[c:6])=[O:8]>>[c:4](:[c:5])(:[c:6])-[I:9].[N:1]-[C:7](-[N:3]-[C:2])=[O:8]	1	7547
+[c:1]:[c:2](-[C:3](-[C:4])-[C:5]):[c:6]>>[C:3](-[C:4])(-[C:5])-[Zn+:8].[c:1]:[c:2](:[c:6])-[I:7]	1	7556
+[Cl:1]-[c:2]:1:[c:3]:[c:5](:[n:4]):[n+:6]:[c:7]:[c:8]:1>>[c:2]:1:[c:3]:[c:5](:[n:4]):[n+:6]:[c:7]:[c:8]:1.[Cl:1]-[S:10](-[C:9])(=[O:11])=[O:12]	1	7557
+[C:1]-[C:2](-[C:3]-[C:4]=[O:6])=[O:5]>>[C:3]-[C:4]=[O:6].[C:1]-[C:2](=[O:5])-[Cl:7]	1	7560
+[C:1]-[c:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[n:7]:1>>[C:1]-[C:2](-[C:3]-[C:4](-[c:5])=[O:9])=[O:8].[N:6]-[N:7]	1	7561
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[C:6](-[C:7])-[C:8])-[C:9]>>[C:3](=[O:4])(-[C:6](-[C:7])-[C:8])-[O:10].[C:1]-[N:2]-[C:9].[N:5](=[N+:12]=[N-:11])-[P:13](=[O:14])(-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)-[c:21]:2:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:2	1	7592
+[C:1]-[C:2]-1-[C:3]-[C:4](-[c:5]:[c:7](:[c:6])-[O:8]-1)=[O:9]>>[C:1]-[C:2]=[O:8].[C:3]-[C:4](-[c:5]:[c:7](:[c:6])-[O:10])=[O:9]	1	7600
+[N:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[N:6]-[C:7]=[C:8]-1-[F:9]>>[C:2]-1(-[N:3]-[C:4](=[O:5])-[N:6]-[C:7]=[C:8]-1-[F:9])=[O:12].[N:1]#[C:11]-[C:10]	1	7607
+[C:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1-[C:12]>>[C:1]-[O:2].[S:3](=[O:4])(=[O:5])(-[c:6]:1:[c:7]:[c:8]:[c:11](:[c:10]:[c:9]:1)-[C:12])-[Cl:13]	1	7621
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:5](=[O:4])-[O:6]	1	7624
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]):[s:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[Cl:9]	1	7648
+[O:1]=[C:2](-[C:3](=[C:4](-[C:5])-[N:6])-[C:8]=[C:7])-[N:9](-[C:10])-[C:11]>>[N:9](-[C:10])-[C:11].[O:1]=[C:2](-[C:3](=[C:4](-[C:5])-[N:6])-[C:8]=[C:7])-[O:12]	1	7657
+[c:1]:1:[n:2]:[c:3](-[N:4]-[c:5]:2:[c:6]:[n:7]:[n:8]:[c:9]:2):[n:10]:[c:11](:[c:12]:1):[c:13]>>[c:1]:1:[n:2]:[c:3](:[n:10]:[c:11](:[c:12]:1):[c:13])-[Cl:14].[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1	1	7672
+[N:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[n:7]>>[N:1]-[C:2](=[O:3])-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:17]:[c:16]:1.[N:4]-[c:5](:[c:6]):[n:7]	1	7674
+[O:1]=[C:2](-[O:3])-[c:4]:1:[n:5]:[c:6](:[c:7](-[C:8]):[s:10]:1)-[C:9]>>[C:6](-[C:7](-[C:8])-[Cl:12])(-[C:9])=[O:11].[O:1]=[C:2](-[O:3])-[C:4](-[N:5])=[S:10]	1	7748
+[c:1]:[c:2]:[n:3](:[c:4](-[N:5](-[C:6])-[C:7]):[c:8]):[c:10]:[c:9]>>[N:5](-[C:6])-[C:7].[c:1]:[c:2]:[n:3](:[c:4](:[c:8])-[Cl:11]):[c:10]:[c:9]	1	7796
+[c:1]:[c:8]:[n:7]:[c:3](:[c:2])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]:[c:8]:[n:7]:[c:3](:[c:2])-[I:9]	1	7809
+[C:1](-[c:2]:1:[c:3]:[n:4](-[c:5]):[c:6]:[c:7]:1)=[O:8]>>[C:1](-[C:2]-1-[C:3](-[O:10]-[C:9])-[O:11]-[C:6](-[C:7]-1)-[O:12]-[C:13])=[O:8].[N:4]-[c:5]	1	7827
+[C:1](-[C:2](=[C:3]-[N:5])-[C:4])=[O:6]>>[C:1](-[C:2]-[C:4])=[O:6].[C:3](-[N:5])(-[O:8]-[C:7])-[O:9]-[C:10]	1	7834
+[c:1]-[C:2](-[C:4](-[C:3]=[O:7])-[C:5])=[O:6]>>[C:3](-[C:4]-[C:5])=[O:7].[c:1]-[C:2](=[O:6])-[O:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1	1	7837
+[N:1]-[C:11](-[C:2])=[C:4](-[C:3])-[c:5]:1:[c:6]:[s:7]:[c:8](-[N:9]):[n:10]:1>>[N:1]-[C:11](-[C:2])=[C:4](-[C:3])-[C:5](-[C:6]-[Br:13])=[O:12].[S:7]=[C:8](-[N:9])-[N:10]	1	7840
+[C:1]-1-[C:6](-[C:5](=[C:3]-[C:2])-[C:4])-[C:7]-[C:8]-[C:9]-1=[O:10]>>[C:1]-1-[C:6](-[C:5](=[C:3]-[C:2])-[C:4])=[C:7]-[C:8]-[C:9]-1=[O:10]	1	7868
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[C:6](-[C:7])-[C:8]-[O:9]>>[C:6]-1(-[C:7])-[C:8]-[O:9]-1.[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1	1	7871
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]>>[N:4]#[C:5]-[C:6].[C:1]-[C:2](=[O:3])-[O:10]-[C:8](-[C:7])=[O:9]	1	7875
+[C:1]=[C:2](-[C:3])-[C:4]>>[C:2](-[C:3])(-[C:4])=[O:18].[C:1]-[P+:23](-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)(-[c:22]:2:[c:16]:[c:17]:[c:19]:[c:20]:[c:21]:2)-[c:24]:3:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:3	1	7887
+[C:1]-[C:2](-[N:3]-[C:4]-[C:5](=[O:6])-[N:7])-[C:8]>>[C:1]-[C:2](-[C:8])=[O:9].[N:3]-[C:4]-[C:5](=[O:6])-[N:7]	1	7890
+[C:1]-[C:2](-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8])=[C:9](-[C:10]=[O:11])-[C:12]>>[C:1]-[C:2](=[C:9](-[C:10]=[O:11])-[C:12])-[Cl:13].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]	1	7892
+[C:1]#[C:2]-[C:3]>>[C:2](-[C:3])=[O:7].[C:1]-[C:5](=[O:6])-[C:14](-[P:10](-[O:9]-[C:8])(=[O:11])-[O:12]-[C:13])=[N+:15]=[N-:4]	1	7907
+[O:1]=[C:2]=[N:3]-[C:4]>>[N:3]-[C:4].[O:1]=[C:2](-[O:9]-[C:6](-[Cl:5])(-[Cl:7])-[Cl:8])-[O:10]-[C:11](-[Cl:12])(-[Cl:13])-[Cl:14]	1	7927
+[O:1]=[C:2](-[C:3]-[C:4](-[C:5])-[c:6])-[O:7]>>[O:1]=[C:2](-[C:3]=[C:4](-[C:5])-[c:6])-[O:7]	1	7931
+[C:1]-[C:2](-[O:3])(-[C:4])-[C:5]>>[C:1]-[C:2](-[C:4])-[C:5].[O:3]=[O:6]	1	7978
+[c:1]-[C:2]-[C:3]-[N:4]-[C:5]=[O:6]>>[c:1]-[C:2]=[C:3]-[N:4]-[C:5]=[O:6]	1	7985
+[c:1]:[c:8](:[n:7]:[c:3](:[c:2])-[C:4]#[C:5]-[C:6]):[c:9]>>[c:1]:[c:8](:[n:7]:[c:3](:[c:2])-[Cl:10]):[c:9].[C:4]#[C:5]-[C:6]	1	7988
+[O:1]=[S:2](=[O:3])(-[C:4])-[c:5]>>[O:1]=[S:2](-[C:4])-[c:5].[O:3]-[O:8]-[C:7](=[O:6])-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13](-[Cl:14]):[c:15]:1	1	8013
+[n:1]:[c:2]:1:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]:[n:9]:1>>[n:1]:[c:2]:1:[c:3](:[c:7]:[n:8]:[n:9]:1)-[I:19].[c:4](:[c:5])(:[c:6])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	1	8022
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]#[N:4].[O:3]-[C:12](-[C:10](-[C:8](-[C:6](=[O:5])-[O:7])-[O:9])-[O:11])=[O:13]	1	8041
+[c:1]-[N:2](-[C:3]=[O:4])-[C:5]>>[c:1]-[N:2]-[C:5].[C:3](=[O:4])-[O:6]	1	8061
+[O:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[C:6]-[C:7]-1)-[Br:8]>>[O:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[C:6]-[C:7]-1.[Br:8]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	1	8063
+[N:1](-[c:2])-[C:3]-1=[C:4]-[C:5](=[O:6])-[C:7]-[C:8]-1>>[C:3]-1(-[C:4]-[C:5](=[O:6])-[C:7]-[C:8]-1)=[O:9].[N:1]-[c:2]	1	8064
+[C:1](-[c:2](:[n:3]):[c:4])-[Br:5]>>[C:1](-[c:2](:[n:3]):[c:4])-[O:13].[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11]	1	8101
+[C:1](-[c:2](:[c:3]:[s:4]):[n:5])-[Br:6]>>[C:1]-[c:2](:[c:3]:[s:4]):[n:5].[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	1	8104
+[C:1]-[C:2](=[C:3])-[Br:4]>>[Br:4]-[N:6]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:5].[C:1]-[C:2]=[C:3]	1	8116
+[n:1]:[c:2](-[C:3]-[Br:4]):[n:5]>>[Br:4]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[n:1]:[c:2](-[C:3]):[n:5]	1	8122
+[C:1](-[C:2](=[C:3](-[C:4])-[Cl:8])-[C:6](-[N:5])=[O:7])-[Br:9]>>[Br:9]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[C:1]-[C:2](=[C:3](-[C:4])-[Cl:8])-[C:6](-[N:5])=[O:7]	1	8123
+[c:1]:1:[n:2]:[c:3]:[c:4](:[n:5](:[n:6]):[c:7]:1)-[Br:8]>>[Br:8]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14].[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5](:[n:6]):[c:7]:1	1	8131
+[N:1]=[C:2]-[C:3]-[Br:4]>>[Br:4]-[N:11]-1-[C:6](=[O:5])-[C:7]-[C:8]-[C:9]-1=[O:10].[N:1]=[C:2]-[C:3]	1	8135
+[C:1]-[C:2](=[C:3](-[C:4]-[Br:5])-[C:6])-[N:7]>>[Br:5]-[N:9]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:8].[C:1]-[C:2](=[C:3](-[C:4])-[C:6])-[N:7]	1	8158
+[C:1]-[C:2](-[C:3])(-[Br:4])-[c:5]>>[Br:4]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[C:1]-[C:2](-[C:3])-[c:5]	1	8216
+[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[C:6]-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[C:6]	1	8224
+[C:1]-1-[O:2]-[C:3]=[C:4](-[C:5]-1=[O:6])-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[C:1]-1-[O:2]-[C:3]=[C:4]-[C:5]-1=[O:6]	1	8227
+[n:1]:1:[c:2]:[c:3](-[Br:4]):[c:5](:[c:6]:1):[c:8]:[n:7]>>[Br:4]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14].[n:1]:1:[c:2]:[c:3]:[c:5](:[c:6]:1):[c:8]:[n:7]	1	8247
+[c:1]:[c:2](-[Br:3]):[c:4]>>[Br:3]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14].[c:1]:[c:2](:[c:4])-[Si:6](-[C:5])(-[C:7])-[C:8]	1	8262
+[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5](:[c:6]:[c:7]:1)-[Br:13]>>[C:9]-1-[C:10](=[O:11])-[N:12](-[Br:13])-[C:15](=[O:14])-[C:16]-1.[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5]:[c:6]:[c:7]:1	1	8267
+[c:1]:[c:9]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6](:[n:7]:[c:8]:1)-[Br:10]>>[Br:10]-[N:17]-1-[C:12](=[O:11])-[C:13]-[C:14]-[C:15]-1=[O:16].[c:1]:[c:9]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6]:[n:7]:[c:8]:1	1	8284
+[C:1](-[c:2]:[c:3]:[o:4])-[Br:5]>>[Br:5]-[N:10]-1-[C:8](-[C:7]-[C:6]-[C:12]-1=[O:11])=[O:9].[C:1]-[c:2]:[c:3]:[o:4]	1	8306
+[C:1]-[C:3]-1=[C:2](-[C:7](=[C:6]-[N:5]-[C:4]-1)-[Br:8])-[O:9]>>[Br:8]-[N:14]-1-[C:12](-[C:11]-[C:10]-[C:16]-1=[O:15])=[O:13].[C:1]-[C:3]-1=[C:2](-[C:7]=[C:6]-[N:5]-[C:4]-1)-[O:9]	1	8322
+[c:1]:1:[n:2]:[c:3]:[c:4](-[Br:5]):[o:6]:1>>[Br:5]-[N:11]-1-[C:9](-[C:8]-[C:7]-[C:13]-1=[O:12])=[O:10].[c:1]:1:[n:2]:[c:3]:[c:4]:[o:6]:1	1	8353
+[C:1]=[N:2]-[C:3](-[Br:4])=[C:5](-[C:6])-[N:7]>>[Br:4]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[C:1]=[N:2]-[C:3]=[C:5](-[C:6])-[N:7]	1	8358
+[c:1]:1(:[c:2](:[c:3]):[n:4]:[n:5]:[c:6]:1)-[Br:7]>>[Br:7]-[N:17]-1-[C:12](=[O:11])-[C:13]-[C:14]-[C:15]-1=[O:16].[c:1]:1(:[c:2](:[c:3]):[n:4]:[n:5]:[c:6]:1)-[C:9](=[O:8])-[O:10]	1	8361
+[c:1]:[c:2](-[Br:3]):[c:4](:[c:5]:[n:6]):[n:7]>>[Br:3]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[c:1]:[c:2]:[c:4](:[c:5]:[n:6]):[n:7]	1	8365
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5](-[Br:6]):[s:7]:1>>[Br:6]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[s:7]:1	1	8377
+[C:1](-[C:2])=[C:3](-[C:4]-[Br:5])-[C:6](=[O:7])-[O:8]>>[Br:5]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14].[C:1](-[C:2])=[C:3](-[C:4])-[C:6](=[O:7])-[O:8]	1	8412
+[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[C:6]-[Br:7]>>[Br:7]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[c:1]:[c:3](:[n:2])-[C:4](-[O:5]-[C:9]-[C:8])=[C:6]	1	8413
+[c:1]:1:[c:2]:[c:3](:[n:4]:[n:5]:1)-[Br:6]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1	1	8454
+[C:1]-[N:6]=[C:7](-[N:8])-[S:9].[c:2]:[c:3](-[Br:4]):[c:5]>>[Br:4]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[C:1]-[N:6]-[C:7](=[N:8])-[S:9].[c:2]:[c:3]:[c:5]	1	8474
+[N:1]-[C:2]=[C:3](-[Br:4])-[S:5]>>[Br:4]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[N:1]-[C:2]=[C:3]-[S:5]	1	8504
+[C:1]-1-[C:2]=[C:3]-[C:4](-[Br:5])=[C:6]-[N:7]-1>>[Br:5]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[C:1]-1-[C:2]=[C:3]-[C:4]=[C:6]-[N:7]-1	1	8521
+[c:1]-[O:2]-[C:3](-[C:4]-[Br:6])-[C:5]>>[Br:6]-[N:10]-1-[C:8](-[C:7]-[C:13]-[C:12]-1=[O:11])=[O:9].[c:1]-[O:2].[C:3](=[C:4])-[C:5]	1	8526
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1	1	8546
+[C:1]-[C:7]=[C:5](-[C:3](-[C:2])=[O:4])-[Br:6]>>[Br:6]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[C:1]-[C:7]=[C:5]-[C:3](-[C:2])=[O:4]	1	8557
+[N:1]-1-[C:2](=[O:3])-[C:4](-[Br:5])=[C:6]-[C:7]=[C:8]-1>>[Br:5]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14].[N:1]-1-[C:2](=[O:3])-[C:4]=[C:6]-[C:7]=[C:8]-1	1	8574
+[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]):[n:6]:1)-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1	1	8588
+[N:1]-1-[C:2]=[C:3](-[C:4](=[C:5](-[C:6]-1)-[C:7])-[Cl:8])-[Br:9]>>[Br:9]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5](-[C:6]-1)-[C:7])-[Cl:8]	1	8599
+[n:1]:[c:2]:[c:3](:[n:4]:[n:5])-[Br:6]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[n:1]:[c:2]:[c:3]:[n:4]:[n:5]	1	8607
+[c:1]:1(:[c:2](:[c:3]:[c:4]:[c:5]:[n:6]:1):[n:7])-[Br:10]>>[O:8]=[C:15]-1-[N:9](-[Br:10])-[C:12](=[O:11])-[C:13]-[C:14]-1.[c:1]:1:[c:2](:[c:3]:[c:4]:[c:5]:[n:6]:1):[n:7]	1	8610
+[c:1]:[c:9]:1:[n:4](:[c:3]:[c:2]):[c:5](-[Br:6]):[n:7]:[n:8]:1>>[Br:6]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[c:1]:[c:9]:1:[n:4](:[c:3]:[c:2]):[c:5]:[n:7]:[n:8]:1	1	8617
+[C:1](-[C:2]=[C:3])-[Br:4]>>[Br:4]-[N:11]-1-[C:6](=[O:5])-[C:7]-[C:8]-[C:9]-1=[O:10].[C:1]-[C:2]=[C:3]	1	8651
+[C:1]#[C:2]-[Br:3]>>[Br:3]-[N:4]-1-[C:6](=[O:5])-[C:7]-[C:8]-[C:9]-1=[O:10].[C:1]#[C:2]	1	8655
+[C:1]=[C:2]-[C:3]-[Br:4]>>[Br:4]-[N:11]-1-[C:6](=[O:5])-[C:7]-[C:8]-[C:9]-1=[O:10].[C:1]=[C:2]-[C:3]-[O:12]	1	8657
+[N:1]-1-[C:2](-[C:3])=[C:4](-[C:5](=[O:6])-[N:7]-1)-[Br:8]>>[Br:8]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14].[N:1]-1-[C:2](-[C:3])=[C:4]-[C:5](=[O:6])-[N:7]-1	1	8683
+[C:1](-[c:2](:[n:3]):[o:4])-[Br:5]>>[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[C:1]-[c:2](:[n:3]):[o:4]	1	8688
+[C:1]-[C:2](-[Br:3])-[c:4](:[n:5]):[c:6]>>[Br:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[C:1]-[C:2]-[c:4](:[n:5]):[c:6]	1	8697
+[c:1]:[c:9]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6](:[c:7]:[n:8]:1)-[Br:10]>>[Br:10]-[N:17]-1-[C:12](=[O:11])-[C:13]-[C:14]-[C:15]-1=[O:16].[c:1]:[c:9]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6]:[c:7]:[n:8]:1	1	8713
+[O:1]=[C:2]-1-[C:3](-[Br:4])=[C:5](-[N:6])-[C:7]=[C:8]-[N:9]-1>>[Br:4]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[O:1]=[C:2]-1-[C:3]=[C:5](-[N:6])-[C:7]=[C:8]-[N:9]-1	1	8729
+[C:1](-[C:2](=[C:3]-[N:4])-[C:5]=[O:6])-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[C:1]-[C:2](=[C:3]-[N:4])-[C:5]=[O:6]	1	8737
+[c:1]:1:[c:2]:[n:3]:[c:4](:[n:5]:[c:6]:1)-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1	1	8756
+[c:1](:[c:2](:[n:3]):[c:4])(:[c:5])-[Br:6]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1](:[c:2](:[n:3]):[c:4]):[c:5]	1	8760
+[o:1]:[c:2](:[c:3]):[c:5](:[c:4])-[Br:6]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[o:1]:[c:2](:[c:3]):[c:5]:[c:4]	1	8772
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5]-[C:6]-[C:7](=[O:8])-[O:9])-[C:10]>>[C:1]-[N:2]-[C:10].[C:3]-1(=[O:4])-[C:5]-[C:6]-[C:7](=[O:8])-[O:9]-1	1	8783
+[c:1](-[N:2]-[C:3](=[O:4])-[C:5]-[C:6]-[C:7](=[O:8])-[O:9]):[c:10]:[n:11]>>[C:3]-1(=[O:4])-[C:5]-[C:6]-[C:7](=[O:8])-[O:9]-1.[c:1](-[N:2]):[c:10]:[n:11]	1	8804
+[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](:[c:6]):[c:8](:[c:7]):[n:9]:1-[C:10]=[O:11]>>[C:1]-[C:2](-[C:3]-[C:4])=[O:13].[c:5](:[c:6]):[c:8](:[c:7])-[N:9](-[C:10]=[O:11])-[N:12]	1	8831
+[c:1]:[c:2](-[C:3](=[O:4])-[O:7]-[C:6]):[n:5]>>[c:1]:[c:2](-[C:3]#[N:13]):[n:5].[O:4]-1-[C:9]-[C:8]-[O:12]-[C:11]-[C:10]-1.[C:6]-[O:7]	1	8840
+[C:1]-[C:2](-[O:3])-[C:4]-[c:5]>>[C:1]-[C:2]=[O:3].[C:4](-[c:5])-[Mg:7]-[Cl:6]	1	8859
+[C:1]-[C:2](-[C:3])(-[C:4]=[O:6])-[C:5]>>[C:1]-[C:2](-[C:4]=[O:6])-[C:5].[C:3]-[I:7]	1	8861
+[C:1]-[C:2](-[C:3])(-[c:5]:1:[c:4]:[c:8]:[c:7](:[n:6]:1):[c:9])-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:10])-[O:11].[c:4]:1:[c:5]:[n:6]:[c:7](:[c:8]:1):[c:9]	1	8867
+[O:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[C:6]-[N:7]-1-[c:8]>>[N:3]#[C:4]-[C:6]-[N:7]-[c:8].[O:1]=[C:2]=[N:12].[O:5]=[C:10](-[C:9])-[O:11]	1	8882
+[C:1](=[O:2])-[C:3](=[C:4]-[C:5])-[C:6]>>[C:1](=[O:2])-[C:3](-[C:4]-[C:5])(-[C:6])-[Br:7]	1	8890
+[c:1]:[c:2]-1:[c:3]-[N:4]-2-[C:5]-[C:6]-[C:7]-[N:8]=[C:9]-2-[C:10]-1=[O:11]>>[C:5](-[C:6]-[C:7]#[N:8])-[Cl:17].[c:1]:[c:2]-1:[c:3]-[N:4]-[C:10](-[C:9]-1-2-[O:14]-[C:13]-[C:12]-[C:16]-[O:15]-2)=[O:11]	1	8895
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7]=[O:8]>>[C:1]-[N:2]-[C:7]=[O:8].[N:5]-[c:6].[C:3](=[O:4])(-[n:11]:1:[c:10]:[c:9]:[n:18]:[c:17]:1)-[n:12]:2:[c:13]:[c:14]:[n:15]:[c:16]:2	1	8898
+[c:1]-[C:2](-[N:3]=[N+:4]=[N-:5])(-[C:6])-[C:7]>>[c:1]-[C:2](-[C:6])(-[C:7])-[O:8].[N-:3]=[N+:4]=[N-:5]	1	8904
+[n:1]:[c:2]:[c:3]-[C:4]-1=[N:5]-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]-1>>[C:7](-[C:8])(-[C:9])=[C:10].[n:1]:[c:2]:[c:3]-[C:4]=[N:5]-[O:6]	1	8907
+[O:1]=[C:2]-1-[O:3]-[C:4]-[C:5](-[O:6])=[C:7]-1-[C:8](=[O:9])-[C:10]>>[C:8](=[O:9])(-[C:10])-[O:11].[O:1]=[C:2]-1-[O:3]-[C:4]-[C:5](-[O:6])=[C:7]-1	1	8919
+[C:1](-[O:2])(-[C:3](-[C:4])-[n:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1:[c:10])=[O:11]>>[C:1](-[O:2])(-[C:3](-[C:4])-[Br:12])=[O:11].[n:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1:[c:10]	1	8920
+[c:1]-[C:2]=1-[N:3]-[C:4]-[C:5](-[c:6])-[N:7]=1>>[N:3]-[C:4]-[C:5](-[c:6])-[N:24].[c:1]-[C:2]=1-[N:7]-[C:13](-[c:12]:2:[c:11]:[c:10]:[c:9](-[Cl:8]):[c:23]:[c:22]:2)-[C:14](-[C:15]-[C:16]-3-[C:17]-[C:18]-[C:19]-[C:20]-3)-[N:21]=1	1	8924
+[c:1](:[c:2]-[C:3](-[C:4])-[Cl:6]):[s:5]>>[c:1](:[c:2]-[C:3](-[C:4])-[O:10]):[s:5].[Cl:6]-[S:8](=[O:7])-[Cl:9]	1	8944
+[c:1]:[c:2](-[C:3](-[Cl:4])-[C:5]):[o:6]>>[c:1]:[c:2](-[C:3](-[C:5])-[O:10]):[o:6].[Cl:4]-[S:8](=[O:7])-[Cl:9]	1	8947
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[N:8]-[C:9]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[O:17]-[c:16]:1:[c:15]:[c:14]:[c:13](-[N+:11](=[O:10])-[O-:12]):[c:20]:[c:19]:1)-[Cl:18].[N:8]-[C:9]	1	8955
+[N+:1](-[c:2](:[c:3]):[c:5])(=[O:11])-[O-:12].[c:4]-[N:6]=[C:7](-[C:8])-[N:9]-[S:10]>>[c:2](:[c:3]):[c:5].[c:4]-[N:6]-[C:7](-[C:8])=[N:9]-[S:10].[N+:1](=[O:11])(-[O-:12])-[O:13]	1	8960
+[C:1](=[C:2]-[C:3])-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[s:9]>>[C:1](=[C:2]-[C:3])-[C:4](=[O:5])-[O:10].[N:6]-[c:7](:[n:8]):[s:9]	1	8961
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6](=[O:7])-[O:9]):[c:8]>>[C:3](=[C:4]-[C:5])(-[C:6](=[O:7])-[O:9])-[I:10].[c:1]:[c:2](:[c:8])-[I:11]	1	8962
+[n:1]:[c:3]:1:[c:2]:[c:7](:[n:6]:[c:5]:[n:4]:1)-[C:8](-[C:9])-[O:10]>>[C:8](-[C:9])=[O:10].[n:1]:[c:3]:1:[c:2]:[c:7](:[n:6]:[c:5]:[n:4]:1)-[I:11]	1	8963
+[O:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[C:7]-[C:8]>>[C:7](-[C:8])=[O:9].[O:1]-[C:2](=[O:3])-[C:4]-[N:6]-[C:5]	1	8966
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]#[N:5].[O:3]=[S:7](-[O:4])(=[O:6])-[O:8]	1	8988
+[N:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8](=[O:9])-[N:10]-1-[C:11]>>[N:6](-[C:7])-[C:8](=[O:9])-[N:10]-[C:11].[N:1]#[C:2]-[C:3]-[C:4](=[O:5])-[O:12]	1	9016
+[C:1]#[C:2]-[C:3]-[N:4](-[C:5])-[C:6](=[O:7])-[c:8]>>[C:1]#[C:2]-[C:3]-[N:4]-[C:5].[C:6](=[O:7])(-[c:8])-[Cl:9]	1	9019
+[O:1]-[C:2](-[C:3]-[C:4])(-[C:5])-[C:6]>>[O:1]=[C:2](-[C:5])-[C:6].[C:3](-[C:4])-[Mg:8]-[Br:7]	1	9028
+[c:1]:[c:7]:[n:6]:[c:3](:[c:2])-[C:4]-[C:5]>>[C:4](-[C:5])-[Zn+:9].[c:1]:[c:7]:[n:6]:[c:3](:[c:2])-[Br:8]	1	9030
+[c:1](-[c:2]:1:[c:3]:[s:4]:[c:5](-[C:6]):[n:7]:1):[c:8]:[n:9]>>[c:1](-[C:2](-[C:3]-[Cl:11])=[O:10]):[c:8]:[n:9].[S:4]=[C:5](-[C:6])-[N:7]	1	9034
+[c:1](-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6](-[C:7](=[O:8])-[O:12]):[s:9]:1):[c:10]:[n:11]>>[c:1](-[C:2](-[N:3])=[S:9]):[c:10]:[n:11].[C:4](-[C:5])(-[C:6](-[C:7](=[O:8])-[O:12])-[Cl:14])=[O:13]	1	9038
+[N:1]-[C:2](=[O:3])-[n:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1>>[N:1]-[C:2](=[O:3])-[Cl:9].[n:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1	1	9046
+[C:1]-[C:2]>>[C:1](-[C:2])-[O:3]	1	9056
+[N+:1](-[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8])(=[O:9])-[O-:10]>>[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8].[N+:1](=[O:9])(-[O-:10])-[O:11]	1	9063
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[C:6])-[c:7]>>[C:3](=[O:4])=[N:5]-[C:6].[C:1]-[N:2]-[c:7]	1	9068
+[C:1]-[C:2]-1=[C:3]-[N:4](-[C:5])-[c:6](:[c:7]):[c:8]-[C:9]-1>>[C:1]-[C:2](=[C:3]-[N:4]-[C:5])-[C:9]-[c:8]:[c:6](:[c:7])-[Cl:10]	1	9074
+[c:1]-[C:2]-1-[C:3]-[C:4](-[C:5])=[N:6]-[N:7]-1-[C:8]>>[N:6]-[N:7]-[C:8].[c:1]-[C:2]=[C:3]-[C:4](-[C:5])=[O:9]	1	9076
+[c:1]:[c:2](-[O:3]-[C:4](=[C:5]-[N:6])-[C:7]=[O:8]):[c:9]>>[O:3]-[C:4](=[C:5]-[N:6])-[C:7]=[O:8].[c:1]:[c:2](:[c:9])-[F:10]	1	9077
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[C:2]#[N:6].[N-:3]=[N+:4]=[N:5]-[Sn:8](-[C:7])(-[C:9])-[C:10]	1	9083
+[O:1]-[C:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[c:3](:[c:4])(:[c:5])-[Br:7].[O:1]-[C:2](-[C:6])=[O:8]	1	9090
+[N:1](-[c:2](:[n:3]):[s:4])-[C:6]=[O:5]>>[N:1]-[c:2](:[n:3]):[s:4].[O:5]-[C:6]=[O:7]	1	9095
+[O:1]=[C:2](-[C:3])-[S:4]-[C:5]>>[S:4]-[C:5].[O:1]=[C:2](-[C:3])-[Cl:6]	1	9102
+[O:1]-[C:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])-[Mg:8]-[Cl:7].[O:1]=[C:2]-[C:6]	1	9104
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:8](:[c:7]):[n:9]:1):[c:10]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:8](:[c:7]):[n:9]:1)-[Br:11].[c:1]:[c:2](:[c:10])-[B:13](-[O:12])-[O:14]	1	9105
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6](-[C:7]):[c:8](-[c:9](:[c:10]):[s:11]):[n:12]:1>>[C:5](=[C:6](-[C:7])-[C:8](-[c:9](:[c:10]):[s:11])=[O:16])-[N:14](-[C:13])-[C:15].[c:1]-[N:2]=[C:3](-[N:4])-[N:12]	1	9109
+[O:1]=[C:2](-[O:3])-[c:4]>>[O:1]=[C:2]-[c:4].[O:3]=[C:16]-[c:15]:1:[c:6](-[O:5]):[c:7]:[c:8]:[c:9](-[C:10](-[F:11])(-[F:12])-[F:13]):[c:14]:1	1	9119
+[c:1]-[C:2](-[Cl:3])-[C:4](=[O:5])-[O:6]>>[c:1]-[C:2](-[C:4](=[O:5])-[O:6])-[O:10].[Cl:3]-[S:8](=[O:7])-[Cl:9]	1	9122
+[C:1]-[C:2](-[N:3]=[N+:6]=[N-:5])-[C:4]>>[C:1]-[C:2](-[C:4])-[Br:7].[N-:3]=[N+:6]=[N-:5]	1	9139
+[C:1](=[O:2])-[O:3]>>[C:1](=[O:2])-[O:3]-[C:6]-[C:5]=[C:4]	1	9145
+[C:1]-[C:2](=[C:3]-[O:5])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:19].[C:3](-[O:5])-[P+:24](-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)(-[c:23]:2:[c:17]:[c:18]:[c:20]:[c:21]:[c:22]:2)-[c:25]:3:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:3	1	9167
+[C:1]-[C:2]-1(-[C:3])-[N:4]-[C:5](-[C:6](=[O:7])-[O:8])-[C:9]-[S:10]-1>>[C:1]-[C:2](-[C:3])=[O:11].[N:4]-[C:5](-[C:6](=[O:7])-[O:8])-[C:9]-[S:10]	1	9174
+[C:1]=[C:2]-[C:3](-[O:4])(-[C:5])-[C:6]>>[C:1]=[C:2]-[Mg:8]-[Br:7].[C:3](=[O:4])(-[C:5])-[C:6]	1	9179
+[C:1]-[C:2](-[C:3])-[C:5](-[C:4])=[O:6]>>[C:2](-[C:3])-[C:5](-[C:4])=[O:6].[C:1]-[I:7]	1	9180
+[C:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:7]>>[C:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:7])-[C:11](-[O:10]-[C:9]-[C:8])=[O:12]	1	9197
+[C:1]-[C:2](-[O:3]-[c:4](:[c:5]):[n:6])-[C:7]>>[C:1]-[C:2](-[C:7])-[O:8].[O:3]-[c:4](:[c:5]):[n:6]	1	9231
+[C:1]-[C:2](-[N:3])-[C:4]>>[C:1]-[C:2](-[C:4])-[C:14](=[O:13])-[O:15].[N:3](=[N+:17]=[N-:16])-[P:18](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(=[O:19])-[c:20]:2:[c:6]:[c:5]:[c:23]:[c:22]:[c:21]:2	1	9239
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:2-[C:6](=[O:7])-[N:8]-[C:9](-[N:10])=[N:11]-[n:12]:1:2>>[C:1]-[C:2](-[N:3]-[C:4]-[c:5]:1:[c:6](-[O:7]):[n:8]:[c:9](-[N:10]):[n:11]:[n:12]:1)=[O:13]	1	9244
+[C:1](-[C:2])(-[C:3])=[O:4]>>[C:1](-[C:3])(-[O:4])=[O:5].[C:2]-[Li:6]	1	9253
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]=[O:3].[O:4]-[P:6](=[O:5])(-[O:7])-[O:8]	1	9267
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[o:7]):[n:8]>>[C:1]-[N:2].[C:3](-[O:4])(-[c:5](:[c:6]:[o:7]):[n:8])=[O:9]	1	9304
+[C:1]-[C:2](-[C:4]-[C:3](=[O:5])-[O:6])=[O:7]>>[C:1]-[C:2](=[O:7])-[O:8].[C:3](-[C:4])(=[O:5])-[O:6]	1	9312
+[c:1]:[c:2]:1:[c:3]:[c:4](-[C:5]):[o:6]:[c:7]:1:[c:8]>>[c:1]:[c:2](-[C:3]#[C:4]-[C:5]):[c:7](-[O:6]):[c:8]	1	9325
+[C:1]-[N:2](-[C:3])-[S:4](=[O:5])(=[O:6])-[c:7](:[c:8]):[c:9]>>[C:1]-[N:2]-[C:3].[c:7](:[c:8]):[c:9].[S:4](=[O:5])(=[O:6])(-[O:10])-[Cl:11]	1	9335
+[C:1]-[N:2](-[C:3])-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1>>[C:1]-[N:2]-[C:3].[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[Br:10]	1	9356
+[C:1]-[N:2](-[C:3]=[O:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](=[O:4])-[n:14]:1:[c:9]:2:[c:8]:[c:7]:[c:6]:[c:11]:[c:10]:2:[n:12]:[n:13]:1	1	9359
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[N:9]):[n:10]:1>>[c:4](:[c:5])(:[c:7](:[c:6])-[C:8]#[N:9])-[F:11].[N:1]-[C:2](-[N:3])=[N:10]	1	9385
+[C:1]-[C:2]=[C:3](-[N:4](-[C:5])-[C:6])-[C:7]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2]-[C:3](-[C:7])=[O:8]	1	9390
+[n:1]:[c:2](-[C:3](=[N:4]-[O:5])-[N:6]):[n:7]>>[n:1]:[c:2](-[C:3]#[N:6]):[n:7].[N:4]-[O:5]	1	9392
+[C:1]-1=[N:2]-[O:3]-[C:4](=[O:5])-[N:6]-1>>[C:1](=[N:2]-[O:3])-[N:6].[C:4](=[O:5])(-[n:9]:1:[c:8]:[c:7]:[n:16]:[c:15]:1)-[n:10]:2:[c:11]:[c:12]:[n:13]:[c:14]:2	1	9397
+[C:1]-[C:2]-1=[C:3](-[C:4])-[N:5](-[C:6])-[N:7]-[C:8]-1=[O:9]>>[C:1]-[c:2]:1:[c:3](-[C:4]):[n:5](-[C:6]):[n:7]:[c:8]:1-[O:9]-[C:10]	1	9403
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](-[C:6](=[O:7])-[O:9]):[c:8]:1>>[C:1]-[N:2].[C-:3]#[N+:4]-[C:5](-[C:6](=[O:7])-[O:9])=[C:8]-[N:11](-[C:10])-[C:12]	1	9409
+[c:1]:[c:2](-[C:3](=[C:4])-[C:6](-[N:5])=[O:7]):[c:8]:[n:9]>>[C:3](=[C:4])(-[C:6](-[N:5])=[O:7])-[Br:10].[c:1]:[c:2](:[c:8]:[n:9])-[B:12](-[O:11])-[O:13]	1	9437
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[C:9]-[C:8]-[C:7]-[C:6]	1	9442
+[C:1]-[O:2]-[C:3](-[C:4])-[C:5](=[O:6])-[O:7]>>[C:1]-[O:2].[C:3](-[C:4])(-[C:5](=[O:6])-[O:7])=[N+:9]=[N-:8]	1	9444
+[O:1]=[C:2](-[C:3]=[C:4]-[c:5]:[c:7]:[n:6])-[N:8]>>[O:1]=[C:2](-[C:3]-[P:12](-[O:11]-[C:10]-[C:9])(=[O:13])-[O:14]-[C:15]-[C:16])-[N:8].[C:4](-[c:5]:[c:7]:[n:6])=[O:17]	1	9449
+[N:1]-[C:2]-[C:3](=[O:4])-[N:5]>>[C:2](-[C:3](=[O:4])-[N:5])-[Cl:6].[N:1]	1	9456
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[c:9](:[s:8]):[c:10]:2:[n:11]:1-[C:12]>>[N:3]-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:9](:[s:8]):[c:10]:1-[N:11]-[C:12].[C:1]-[C:2](-[O:15]-[C:14]-[C:13])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:20]-[C:21]	1	9469
+[O:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1-[C:11]>>[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10]-[C:11].[O:1]-[C:2](-[O:13]-[C:12])(-[O:14]-[C:15])-[O:16]-[C:17]	1	9479
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[n:9]>>[C:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[n:9])-[Cl:10]	1	9482
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[N:7]-[c:8]):[n:9](-[C:10]):[c:11]:2:[n:12]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5]):[c:11](-[N:9]-[C:10]):[n:12]:1.[C:6](=[N:7]-[c:8])=[S:13]	1	9513
+[C:1]=[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:6].[C:1]-[c:2]:1:[c:9]:[c:8]:[c:7]:[c:11]:[c:10]:1	1	9534
+[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](-[C:7]#[N:9]):[n:8]:1):[s:5]>>[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](:[n:8]:1)-[Cl:10]):[s:5].[C:7]#[N:9]	1	9552
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]#[N:4].[O:3]-[S:6](=[O:5])(=[O:7])-[O:8]	1	9555
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[C:7](=[C:8]-[C:9])-[C:10]>>[C:7](-[C:8]-[C:9])(-[C:10])=[O:11].[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1	1	9598
+[C:1]-[N:2](-[C:3]-[C:4](=[C:5]-[C:6])-[O:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[C:4](=[C:5]-[C:6])-[O:7])-[Br:9]	1	9614
+[O:1]=[C:2]-1-[N:3]=[C:4](-[N:5](-[C:6])-[C:7])-[S:8]-[C:9]-1>>[N:5](-[C:6])-[C:7].[O:1]=[C:2]-1-[N:3]=[C:4](-[S:8]-[C:9]-1)-[S:11]-[C:10]	1	9634
+[O:1]-[C:2](-[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[O:1]-[C:2](-[O:3])-[N:8](-[C:7])-[C:9]	1	9659
+[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[N:6]-[c:7])-[N:8]-[C:9]-1=[O:10]>>[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[N:8]-[C:9]-1=[O:10])-[Cl:11].[N:6]-[c:7]	1	9667
+[C:1](#[C:2])-[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1](#[C:2])-[C:3]-[C:4]-[S:9](-[C:8])(=[O:10])=[O:11]	1	9693
+[C:1]-[N:2](-[C:3](-[C:4]#[N:5])(-[C:6])-[C:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[C:6])(-[C:7])=[O:13].[C:4](#[N:5])-[C:10](-[C:9])(-[C:11])-[O:12]	1	9710
+[O:1]=[C:2](-[c:3](:[c:4]):[o:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[O:1]=[C:2](-[c:3](:[c:4]):[o:5])-[O:9]	1	9726
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[C:6]-[C:7]-[N:8](-[C:9])-[C:10])-[C:11]>>[C:1]-[N:2]-[C:11].[N:8](-[C:9])-[C:10].[S:3](=[O:4])(=[O:5])(-[C:6]-[C:7]-[Cl:13])-[Cl:12]	1	9741
+[C:1]-[N:2](-[S:3](-[C:4])(=[O:5])=[O:6])-[C:7]>>[C:1]-[N:2]-[C:7].[S:3](-[C:4])(=[O:5])(=[O:6])-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11]	1	9759
+[C:1]-[C:2](-[C:3])-[S:4]-[c:5]:1:[n:6]:[c:7](:[c:8](:[c:9]):[n:11]:1):[c:10]>>[C:1]-[C:2](-[C:3])-[Br:12].[S:4]=[C:5]-1-[N:6]-[c:7](:[c:8](:[c:9])-[N:11]-1):[c:10]	1	9820
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:12]:[c:11]:1.[c:3](:[c:4])(:[c:5])-[O:6]	1	9824
+[N:1](-[C:2])-[C:3]>>[N:1](-[C:2])(-[C:3])-[C:7](-[O:6]-[C:5]=[C:4])=[O:8]	1	9829
+[n:1]:[c:2]:[c:10]:[c:4](:[c:3])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[n:1]:[c:2]:[c:10]:[c:4](:[c:3])-[Br:20].[c:5]:1(:[c:6]:[n:7]:[n:8]:[c:9]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19]	1	9839
+[C:1]-[C:2]-1=[C:3](-[C:4]#[N:5])-[C:6](-[c:7]:[c:9]:[n:8])-[c:10]:2:[c:11]:[n:12]:[n:13]:[c:14]:2-[N:15]-1>>[C:1]-[C:2](-[C:3]-[C:4]#[N:5])=[O:16].[c:10]:1:[c:11]:[n:12]:[n:13]:[c:14]:1-[N:15].[C:6](-[c:7]:[c:9]:[n:8])=[O:17]	1	9848
+[C:1]-[c:2]:1:[n:3]:[c:4](-[N:5]):[n:6]:[o:7]:1>>[N:3]-[C:4](-[N:5])=[N:6]-[O:7].[C:1]-[C:2](=[O:8])-[O:9]	1	9861
+[c:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[N:3]-[C:4](-[C:5])=[N:6]-[O:7].[c:1]-[C:2](-[O:9]-[C:8])=[O:10]	1	9871
+[C:1]=[C:2]-[C:3](-[O:4])-[C:5]>>[C:1]=[C:2]-[Mg:7]-[Br:6].[C:3](=[O:4])-[C:5]	1	9890
+[C:1]#[C:2]-[C:3]-[O:4]-[c:5](:[c:6]):[c:7]>>[C:1]#[C:2]-[C:3]-[O:4].[c:5](:[c:6])(:[c:7])-[F:8]	1	9892
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[c:1]-[C:2]=[O:11].[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10]	1	9925
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:1):[c:6]:[c:7](-[c:8]):[n:9]:[c:10]:2-[Cl:11]>>[c:1]:1:[n:2]:[n:3]-2:[c:4](:[n:5]:1)-[C:6]=[C:7](-[c:8])-[N:9]-[C:10]-2=[O:16].[Cl:11]-[P:13](=[O:12])(-[Cl:14])-[Cl:15]	1	9929
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[O:6]-[C:5].[N:3]-[C:8]=[O:7]	1	9966
+[C:1]-[C:2]-[C:3](-[N:4]-[C:5]=[O:6])-[C:7]-[C:8]>>[C:3]-1(-[N:4]-[C:5]=[O:6])-[C:18]-[C:17]-[N:16](-[C:15]-[C:14]-[N:13]-2-[C:12]-[C:11]-[C:10]-[C:9]-[C:22]-[C:21]-2)-[C:20]-[C:19]-1.[C:1]-[C:2]-[C:24](-[C:7]-[C:8])-[N:23]	1	9978
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5]=[N:6]-[C:7]=[C:8]-1-[C:9]>>[n:2]:1:[c:3](-[O:4]):[c:5]:[n:6]:[c:7]:[c:8]:1-[C:9].[C:1]-[I:10]	1	9991
+[C:1]-[c:2]:1:[c:3](-[C:4]):[o:5]:[c:6](-[C:7]):[n:8]:1>>[O:5]=[C:6](-[C:7])-[N:8].[C:1]-[C:2](-[C:3](-[C:4])-[Cl:10])=[O:9]	1	10020
+[C:1]-[C:2](=[C:3]-[O:4])-[C:5]>>[C:1]-[C:2](-[C:5])=[O:12].[C:3](-[O:4])-[P+:17](-[c:16]:1:[c:10]:[c:11]:[c:13]:[c:14]:[c:15]:1)(-[c:18]:2:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:2)-[c:24]:3:[c:9]:[c:8]:[c:7]:[c:6]:[c:25]:3	1	10040
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:5]:1)-[S:7](-[C:6])(=[O:8])=[O:9]	1	10066
+[C:1]-[C:2](-[N:3]-[C:7](-[C:6])=[O:8])(-[C:4])-[C:5]>>[C:1]-[C:2](-[C:4])(-[C:5])-[O:8].[N:3]#[C:7]-[C:6]	1	10069
+[O:1]=[C:2](-[C:3])-[N:4]-[N:5]=[C:6](-[C:7])-[C:8]>>[C:6](-[C:7])(-[C:8])=[O:9].[O:1]=[C:2](-[C:3])-[N:4]-[N:5]	1	10095
+[N:1]-[C:2](=[O:3])-[C:4]-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]>>[C:2]-1(=[O:3])-[C:4]-[O:5]-[C:6](=[O:7])-[N:8]-1-[C:9].[N:1]	1	10112
+[c:1]:[c:8](:[n:7]:1:[c:3](:[c:2]):[n:4]:[n:5]:[c:6]:1):[c:9]>>[c:1]:[c:8](:[n:7]:[c:3](:[c:2])-[N:4]-[N:5]):[c:9].[C:6](-[O:12]-[C:11]-[C:10])(-[O:13]-[C:14]-[C:15])-[O:16]-[C:17]-[C:18]	1	10143
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2](-[C:3]#[N:4])-[C:7](-[O:6]-[C:5])=[O:8]	1	10151
+[n:1]:[c:2]:[c:3](:[c:4]:[n:5])-[N:6]-[C:7](-[C:8])-[C:9]>>[C:7](-[C:8])(-[C:9])=[O:10].[n:1]:[c:2]:[c:3](:[c:4]:[n:5])-[N:6]	1	10170
+[N+:1]-[C:2]-[C:3](-[S:4]-[C:5])(-[C:6])-[C:7]>>[C:3](-[C:6])(-[C:7])=[O:8].[N+:1]-[C:2].[S:4]-[C:5]	1	10174
+[c:1]:[c:2](-[N:3]-[C:4](-[C:5])-[C:6]):[s:7]>>[C:4](-[C:5])(-[C:6])=[O:8].[c:1]:[c:2](-[N:3]):[s:7]	1	10176
+[c:1](-[N:2]-[C:3](-[C:4])-[C:5]):[c:6]:[n:7]>>[C:3](-[C:4])(-[C:5])=[O:8].[c:1](-[N+:2](=[O:9])-[O-:10]):[c:6]:[n:7]	1	10178
+[N:1]-1-[C:2](=[O:3])-[C:4]-[N:5]-[C:6]-1(-[C:7])-[C:8]>>[C:6](-[C:7])(-[C:8])=[O:9].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]	1	10181
+[c:1]:[c:2]:1:[c:3]:[c:4](:[c:5](:[c:6]):[n:8]:1-[C:9](-[c:10])-[C:11]):[n:7]>>[C:9](-[c:10])(-[C:11])-[O:12].[c:1]:[c:2]:1:[c:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[n:7]	1	10195
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]):[n:8]):[n:9]:1>>[C:1]-[C:2](-[C:3]-[C:4]-[C:5](-[c:6](:[c:7]):[n:8])=[O:11])=[O:10].[N:9]	1	10200
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2):[c:11]:1>>[c:6]:1(:[c:7]:[n:8]:[n:9]:[c:10]:1)-[Br:12].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:11]:1)-[B:14](-[O:13])-[O:15]	1	10227
+[N:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[N:1]-[C:2](=[O:3])-[O:10]-[C:9]-[C:8].[N:4]-[c:5]:[c:7]:[n:6]	1	10239
+[N:1]-[C:2](=[O:3])-[N:4]-1-[N:5]=[N:6]-[N:7]-[C:8]-1=[O:9]>>[N:1]-[C:2](=[O:3])-[Cl:10].[N:4]-1=[N:5]-[N:6]-[N:7]-[C:8]-1=[O:9]	1	10241
+[C:1](=[O:2])(-[N:3](-[C:4])-[C:6](-[N:5])=[O:7])-[Cl:8]>>[N:3](-[C:4])-[C:6](-[N:5])=[O:7].[C:1](=[O:2])(-[Cl:8])-[Cl:9]	1	10248
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:9](-[N:8])=[O:10]):[n:11]>>[N:6](-[C:7])-[C:9](-[N:8])=[O:10].[C:4](=[O:5])(-[Cl:12])-[Cl:13].[c:1]:[c:2](-[N:3]):[n:11]	1	10249
+[S:1]-[C:2](-[c:3])-[C:4](-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])-[O:7].[S:1]-[C:2]-[c:3]	1	10282
+[O:1]=[C:2](-[C:3](-[O:4]-[C:5])-[c:6])-[O:7]>>[O:4]-[C:5].[O:1]=[C:2](-[C:3](-[c:6])=[N+:9]=[N-:8])-[O:7]	1	10285
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[s:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:8]):[s:7].[N:5]-[C:6]	1	10299
+[O:1]=[S:2](=[O:3])(-[Cl:4])-[c:5](:[c:6]):[c:7]>>[c:5](:[c:6])(:[c:7])-[Br:8].[O:1]=[S:2](=[O:3])(-[Cl:4])-[Cl:9]	1	10300
+[c:1](:[c:2]-[C:3](-[C:4](-[C:5])-[C:6])-[O:8]):[s:7]>>[C:4](-[C:5])(-[C:6])-[Mg:10]-[Br:9].[c:1](:[c:2]-[C:3]=[O:8]):[s:7]	1	10309
+[N:1]-[C:2](=[O:3])-[c:4](:[c:5]):[s:6]>>[C:2](=[O:3])(-[c:4](:[c:5]):[s:6])-[O:17].[N:1](-[C:8]-[C:7])=[C:9]=[N:10]-[C:11]-[C:12]-[C:13]-[N:14](-[C:15])-[C:16]	1	10314
+[C:1]-[N:2]-1-[C:3]-[C:4]-[C:5](-[C:6]-[C:7]-1)=[O:8]>>[C:3]-1-[C:4]-[C:5](-[C:6]-[C:7]-[N+:11]-1(-[C:10]-[C:9])-[C:12])=[O:8].[C:1]-[N:2]	1	10319
+[C:1]-[N:2]-1-[C:3]-[C:4](-[C:5])-[C:8](-[C:7](-[C:6])-[C:9]-1)=[O:10]>>[C:4](-[C:5])-[C:8](-[C:7]-[C:6])=[O:10].[C:9]=[O:11].[C:3]-[O:12].[C:1]-[N:2]	1	10320
+[C:1]-[C:2](-[C:3])(-[N:4]-[C:5](=[O:6])-[N:7](-[C:8])-[C:9])-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:5](=[O:6])-[O:11])-[C:10].[N:7](-[C:8])-[C:9].[N:4](=[N+:13]=[N-:12])-[P:14](=[O:15])(-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2	1	10326
+[n:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6](=[O:7])-[N:8]-[C:9]-[C:10](=[O:11])-[N:12](-[C:13])-[C:14]):[c:15]:1:[n:16]>>[N:12](-[C:13])-[C:14].[N:8](-[C:9]-[C:10](=[O:11])-[O:24])-[C:22](-[O:21]-[C:18](-[C:17])(-[C:19])-[C:20])=[O:23].[n:1]:[c:2]:1:[n:3](:[c:4]:[c:5](-[C:6](=[O:7])-[O:33]):[c:15]:1:[n:16])-[C:32]-[O:31]-[C:30]-[C:29]-[Si:26](-[C:25])(-[C:27])-[C:28]	1	10331
+[O:1]=[C:2](-[C:3](-[c:4](:[c:5]):[c:6])-[N:7](-[C:8])-[C:9])-[O:10]>>[N:7](-[C:8])-[C:9].[O:1]=[C:2](-[C:3]=[O:11])-[O:10].[c:4](:[c:5])(:[c:6])-[B:13](-[O:12])-[O:14]	1	10333
+[O:1]-[C:2](=[O:3])-[C:4]-[N:8](-[C:6](-[C:5])=[O:7])-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:8]-[C:6](-[C:5])=[O:7].[C:9](=[O:10])(-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])-[O:23]-[C:21](-[O:20]-[C:17](-[C:16])(-[C:18])-[C:19])=[O:22]	1	10346
+[N:1]-[C:2](=[O:3])-[C:4]-[c:5]:1:[n:6]:[c:7](-[c:8](:[n:9]):[c:10]):[n:11]:[o:12]:1>>[N:6]=[C:7](-[c:8](:[n:9]):[c:10])-[N:11]-[O:12].[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:13])-[O:14]	1	10388
+[c:1]-[N:2]=[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7](-[C:8])-[N:9]-1>>[c:1]-[N:2]-[C:3](=[S:4])-[N:9]-[N:7]-[C:8].[C:5](=[O:6])(-[Cl:10])-[Cl:11]	1	10399
+[c:1]:[c:2](-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-1):[n:10]:[c:11]:[c:12]>>[c:1]:[c:2](:[n:10]:[c:11]:[c:12])-[Cl:22].[C:3]-1(=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-1)-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21]	1	10413
+[F:1]-[C:2](=[C:3]-[C:4])-[C:5]-[O:6]>>[F:1]-[C:2](=[C:3]-[C:4])-[C:5](=[O:6])-[O:8]-[C:7]	1	10432
+[C:1]-[N:2]-[C:3]-[C:4](-[O:5])-[c:6]>>[C:1]-[N:2].[C:3](-[C:4](=[O:5])-[c:6])(-[O:9]-[C:8]-[C:7])-[O:10]	1	10438
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6])-[C:7]=[O:8]>>[C:5](-[C:6])-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12].[N:1]-[C:2](=[O:3])-[N:4]-[C:7]=[O:8]	1	10443
+[C:1]-[O:2]-[S:3](-[N:4])(=[O:5])=[O:6]>>[C:1]-[O:2].[S:3](-[N:4])(=[O:5])(=[O:6])-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1	1	10464
+[c:1]-[N:2]-[C:3](=[S:4])-[N:7](-[N:5])-[C:6]>>[N:5]-[N:7]-[C:6].[c:1]-[N:2]=[C:3]=[S:4]	1	10473
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-1(-[c:10])-[C:11]-[C:12]-1>>[C:6](=[O:7])(-[C:9]-1(-[c:10])-[C:11]-[C:12]-1)-[O:13].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5].[N:8](=[N+:15]=[N-:14])-[P:16](=[O:17])(-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1)-[c:24]:2:[c:25]:[c:26]:[c:27]:[c:28]:[c:29]:2	1	10484
+[F:1]-[C:2](=[C:3]-[C:4])-[C:5]-[c:6](:[c:7]):[c:8]>>[F:1]-[C:2](=[C:3]-[C:4])-[C:5]-[O:13]-[C:11](-[C:10])=[O:12].[c:6](:[c:7])(:[c:8])-[Br:9]	1	10517
+[O:1]=[C:2](-[C:3]-[C:4]-1-[C:5]-[C:6]-[C:7]-[C:8]-[C:9]-1)-[O:10]>>[O:1]=[C:2](-[C:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1)-[O:10]	1	10524
+[C:1]-[C:2](-[N:3])-[c:4](:[c:5]):[n:6]>>[C:1]-[C:2](-[c:4](:[c:5]):[n:6])=[O:7].[N:3]	1	10531
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5](=[O:6])-[C:7])-[c:10]:[c:9]:[n:8]):[c:11]>>[N:4](-[C:5](=[O:6])-[C:7])-[c:10]:[c:9]:[n:8].[n:1]:[c:2](-[C:3]-[O:16]-[S:13](-[C:12])(=[O:14])=[O:15]):[c:11]	1	10545
+[C:1]-1=[N:2]-[C:3]-[N:4]-[C:5]-1=[N:6].[c:7]:[c:8](-[c:9](:[c:10]):[c:11]):[c:12]>>[C:1]-1=[N:2]-[C:3]-[N:4]=[C:5]-1-[N:6].[c:7]:[c:8](:[c:12])-[Br:13].[c:9](:[c:10])(:[c:11])-[B:18]-1-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-1)(-[C:21])-[C:22]	1	10548
+[C:1]-1=[N:2]-[C:3]-[N:4]-[C:5]-1=[N:6].[c:7]:[c:8](-[c:9](:[c:10]):[c:11]):[c:12]>>[C:1]-1=[N:2]-[C:3]-[N:4]=[C:5]-1-[N:6].[c:7]:[c:8](:[c:12])-[Br:13].[c:9](:[c:10])(:[c:11])-[B:15](-[O:14])-[O:16]	1	10549
+[C:1]-1=[N:2]-[C:3]-[N:4]=[C:5]-1-[N:6]>>[C:1]-1=[N:2]-[C:3]-[N:4]-[C:5]-1=[S:7].[N:6]	1	10556
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[n:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:1:[n:13]>>[n:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:1:[n:13].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:21]-[C:19](-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])=[O:20]	1	10557
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[N:6])-[C:7]>>[C:1]-[N:2]-[C:7].[S:3](=[O:4])(=[O:5])(-[N:6])-[Cl:8]	1	10568
+[c:1]-[S:2]-[C:3]-1-[C:4]-[C:5]-1>>[C:3]-1(-[C:4]-[C:5]-1)-[Br:6].[c:1]-[S:2]	1	10571
+[c:1]-[O:2]-[C:3]-[C:4]#[C:5]-[C:6]>>[C:3](-[C:4]#[C:5]-[C:6])-[O:15]-[S:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[C:7]):[c:17]:[c:16]:1)(=[O:13])=[O:14].[c:1]-[O:2]	1	10576
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]-1(-[C:6]#[N:7])-[C:8]-[C:9]-1):[c:10]>>[C:5]-1(-[C:6]#[N:7])-[C:8]-[C:9]-1.[c:1]:[c:2]:[n:3]:[c:4](:[c:10])-[F:11]	1	10579
+[C:1](=[O:2])-[c:3]:1:[c:4](-[C:5]):[o:6]:[n:7]:[c:8]:1>>[C:1](=[O:2])-[C:3](-[C:4](-[C:5])=[O:12])=[C:8]-[O:11]-[C:10]-[C:9].[O:6]-[N:7]	1	10580
+[c:1]-[n:2]:1:[n:3]:[c:4](-[C:5]):[c:6](:[c:7]:1-[c:8](:[c:9]:[n:11]):[s:12])-[C:10]>>[C:4](-[C:5])(-[C:6](-[C:7](-[c:8](:[c:9]:[n:11]):[s:12])=[O:13])-[C:10])=[O:14].[c:1]-[N:2]-[N:3]	1	10583
+[N:1]-[C:2]=[C:3](-[C:4]=[O:5])-[C:6](=[O:7])-[C:8]>>[C:3](-[C:4]=[O:5])-[C:6](=[O:7])-[C:8].[N:1]-[C:2](-[O:10]-[C:9])-[O:11]-[C:12]	1	10585
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[n:5]:[n:6]:[c:7](-[C:8]):[n:9]:2:[c:10]:1:[c:11]>>[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5]-[N:6]-[C:7](-[C:8])=[O:12]):[n:9]:[c:10]:1:[c:11]	1	10639
+[C:1]-[C:2]=[C:3](-[C:4](=[O:5])-[N:6]-[c:7])-[C:8](=[O:9])-[N:10]>>[N:6]-[c:7].[C:1]-[C:2]=[C:3](-[C:4](=[O:5])-[O:11])-[C:8](=[O:9])-[N:10]	1	10640
+[C:1](=[O:2])-[C:3]-[C:4]-[C:5]-[Cl:6]>>[C:1](=[O:2])-[C:3]-1-[C:4]-[C:5]-1.[Cl:6]	1	10647
+[C:1]-[C:2](-[C:5]-[C:3](-[C:4])=[O:7])=[O:6]>>[C:3](-[C:4])(-[C:5])=[O:7].[C:1]-[C:2](=[O:6])-[O:10]-[C:9]-[C:8]	1	10653
+[C:1](-[C:2](=[O:3])-[c:4](:[n:5]):[c:6])-[C:7](=[O:8])-[C:9]>>[C:1]-[C:7](=[O:8])-[C:9].[C:2](=[O:3])(-[c:4](:[n:5]):[c:6])-[O:12]-[C:11]-[C:10]	1	10655
+[C:1]-[C:2]-[C:3](-[C:4](-[C:5])=[O:9])-[C:6](=[O:7])-[O:8]>>[C:3](-[C:4](-[C:5])=[O:9])-[C:6](=[O:7])-[O:8].[C:1]-[C:2]-[Br:10]	1	10668
+[C:1]-[c:8]:1:[n:3](-[C:2]):[c:4](-[C:5]):[n:6]:[n:7]:1>>[C:4](-[C:5])(-[N:6]-[N:7])=[O:9].[C:1]-[C:8](-[N:3]-[C:2])=[S:10]	1	10692
+[c:1]-[n:2]:1:[n:3]:[n:4]:[n:5]:[c:6]:1-[C:7]>>[c:1]-[N:2]-[C:6](-[C:7])=[O:12].[N+:3](=[N:4]-[Si:9](-[C:8])(-[C:10])-[C:11])=[N-:5]	1	10693
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[s:7]):[n:8]>>[N:5]-[c:6].[c:1](:[c:2](-[C:3](=[O:4])-[O:9]):[s:7]):[n:8]	1	10703
+[C:1]-1=[N:2]-[O:3]-[C:4](-[O:5])(-[C:6])-[C:7]-1-[c:8]>>[C:4](=[O:5])(-[C:6])-[O:10]-[C:9].[C:1](=[N:2]-[O:3])-[C:7]-[c:8]	1	10717
+[c:1]-[C:2]=[C:3]-[C:4](-[F:5])=[C:6]-[C:7]>>[C:3](-[C:4](-[F:5])=[C:6]-[C:7])=[O:8].[c:1]-[C:2]-[P+:13](-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:27]:[c:26]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	1	10724
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[Cl:6]):[n:7]:1:[c:8]>>[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:7]:1:[c:8].[Cl:6]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	1	10730
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[I:6]):[n:7]:1:[c:8]>>[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:7]:1:[c:8].[I:6]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	1	10731
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:3](-[C:4])=[O:13].[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:12]-[C:19](-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])=[O:20].[C:1]-[N:2]	1	10748
+[O:1]-[C:2](-[C:3])-[C:4](-[C:5](=[O:6])-[O:7])-[N:8]>>[O:1]=[C:2]-[C:3].[C:4](-[C:5](=[O:6])-[O:7])-[N:8]	1	10754
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[N:6](-[C:7]-[C:8])-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15]>>[C:7](-[C:8])-[Br:16].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[N:6]-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15]	1	10768
+[N:1]-[C:2]-1=[C:3](-[N:4])-[N:5](-[C:6]-[C:7])-[C:8](=[O:9])-[N:10]-[C:11]-1>>[C:6](-[C:7])-[Br:12].[N:1]-[C:2]-1=[C:3](-[N:4])-[N:5]-[C:8](=[O:9])-[N:10]-[C:11]-1	1	10769
+[N:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:5].[N:1]-[O:2]	1	10778
+[c:1]:[c:2]:1-[C:3](=[O:4])-[N:5](-[C:6]-[C:7])-[C:8]=[C:9]-[c:10]:1:[c:11]>>[C:6](-[C:7])-[Br:12].[c:1]:[c:2]:1:[c:3](-[O:4]):[n:5]:[c:8]:[c:9]:[c:10]:1:[c:11]	1	10785
+[c:1]:1:[n:2]:[c:3]-2:[c:4](:[c:5]:[n:6]:1)-[C:7](=[O:8])-[N:9](-[C:10]-[C:11])-[C:12]=[C:13]-2>>[C:10](-[C:11])-[Br:14].[c:1]:1:[n:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[c:7](-[O:8]):[n:9]:[c:12]:[c:13]:2	1	10797
+[C:1]-[C:2](-[C:3])(-[O:4])-[c:5](:[c:6]):[n:7]>>[C:1]-[C:2](=[O:4])-[c:5](:[c:6]):[n:7].[C:3]-[Mg+:8]	1	10801
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[N:3]=[C:4](-[C:5])-[N:6]-[O:9].[C:1]-[C:2](-[O:7])=[O:8]	1	10806
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:2:[c:6](-[C:7]):[n:8]:[n:9]:[c:10]:1:2>>[c:1]:1:[c:2]:[c:3]:[n:9]:[n:5]:[c:10]:1-[N:4]-[N:8]-[C:6](-[C:7])=[O:11]	1	10807
+[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:7]:1-[N:8]-[C:9]>>[N:8]-[C:9].[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:7]:1-[Cl:10]	1	10844
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]=[C:7]-[C:8](-[O:9])=[O:10]>>[N:4]-[C:5].[c:1]-[C:2](=[O:3])-[O:11]-[C:6]=[C:7]-[C:8](-[O:9])=[O:10]	1	10846
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5]=[O:8]):[n:6]:[c:7]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:6]:[c:7]:1.[C:5](=[O:8])-[N:10](-[C:9])-[C:11]	1	10856
+[N:1]-[C:2]=[C:3]-[C:4]-[O:5]>>[N:1]-[C:2]=[C:3]-[C:4](-[O:5])=[O:6]	1	10867
+[n:1]:[c:2]:[c:3](-[B:4](-[O:5])-[O:6]):[c:7]:[n:8]>>[n:1]:[c:2]:[c:3](:[c:7]:[n:8])-[Br:9].[B:4]-1(-[O:5]-[C:15](-[C:16])(-[C:17])-[C:18](-[O:6]-1)(-[C:19])-[C:20])-[B:14]-2-[O:13]-[C:11](-[C:10])(-[C:12])-[C:22](-[O:21]-2)(-[C:23])-[C:24]	1	10884
+[C:1](-[C:2](=[O:3])-[O:11])-[C:4](=[O:5])-[N:6]-[C:7]-[C:8](=[O:9])-[N:10]>>[N:6]-[C:7]-[C:8](=[O:9])-[N:10].[C:1](-[C:2](=[O:3])-[O:11])-[C:4](=[O:5])-[O:12]	1	10889
+[S:1]-[N:2](-[C:3])-[c:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1>>[S:1]-[N:2]-[C:3].[c:4]:1(:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:10]	1	10899
+[C:1]-[N:2](-[C:3])-[c:4](:[n:5]):[c:7]:[n:6]>>[N:2](-[C:3])-[c:4](:[n:5]):[c:7]:[n:6].[C:1]-[I:8]	1	10904
+[C:1](=[O:2])(-[O:3]-[C:4])-[O:5]>>[O:3]-[C:4].[C:1](=[O:2])(-[O:5])-[O:13]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11]	1	10912
+[C:1]-[C:10]=[C:5](-[C:3](-[N:2])=[O:4])-[O:6]-[C:7](-[F:8])-[F:9]>>[C:1]-[C:10]=[C:5](-[C:3](-[N:2])=[O:4])-[O:6].[C:7](-[F:8])(-[F:9])(-[C:12](=[O:11])-[O:13])-[Cl:14]	1	10931
+[C:1]-[C:12]=[C:5](-[C:3](-[N:2])=[O:4])-[O:6]-[C:7]-[C:8](-[F:9])(-[F:10])-[F:11]>>[C:1]-[C:12]=[C:5](-[C:3](-[N:2])=[O:4])-[O:6].[C:7](-[C:8](-[F:9])(-[F:10])-[F:11])-[O:16]-[S:14](=[O:13])(=[O:15])-[C:17](-[F:18])(-[F:19])-[F:20]	1	10932
+[O:1]=[C:2](-[O:3]-[C:8])-[c:4](:[c:5]:[n:6]):[c:7]>>[c:4](:[c:5]:[n:6])(:[c:7])-[Br:9].[O:3]-[C:8].[O:1]=[C:2]-[N:11](-[C:10])-[C:12]	1	10933
+[c:1]:1:[c:2]:[n:3](-[C:4]-[O:5]):[c:6](:[c:7]:1:[n:8]):[c:10]:[n:9]>>[c:1]:1:[c:2]:[n:3]:[c:6](:[c:7]:1:[n:8]):[c:10]:[n:9].[C:4](-[O:5])-[Cl:11]	1	10943
+[n:1]:1:[c:2]:[c:3](-[N:4]-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]):[c:10]:[n:11]:1>>[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Cl:12].[n:1]:1:[c:2]:[c:3](-[N:4]):[c:10]:[n:11]:1	1	10955
+[n:1]:[c:2](-[C:3]-[N:4]-[C:5]):[n:6]>>[N:4]-[C:5].[n:1]:[c:2](-[C:3]-[O:15]-[S:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[C:7]):[c:17]:[c:16]:1)(=[O:13])=[O:14]):[n:6]	1	10997
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[N:6]-[C:7])-[C:8]=[O:9]>>[N:6]-[C:7].[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[N:11](-[C:10])-[C:12])-[C:8]=[O:9]	1	11010
+[O:1]=[C:2](-[N:3]-[C:4])-[C:5](=[N:6])-[C:7]=[O:8]>>[N:3]-[C:4].[O:1]=[C:2](-[C:5](=[N:6])-[C:7]=[O:8])-[O:9]	1	11023
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[c:1]-[C:2](=[O:3])-[n:8]:1:[c:7]:[c:6]:[n:10]:[c:9]:1	1	11053
+[n:1]:1-[C:2]-[C:3]-[N:4](-[C:5])-[C:6]-[c:7]:1:[c:8]>>[N:4]-[C:5].[n:1](-[C:2]-[C:3]-[Br:9]):[c:7](-[C:6]-[Br:10]):[c:8]	1	11067
+[s:1]:[c:2](-[C:3](-[N:4])=[O:5]):[c:6]>>[s:1]:[c:2](-[C:3](-[O:5])=[O:7]):[c:6].[N:4]	1	11079
+[n:1]:[c:3](:[n:2]):[c:4](-[N:5]-[C:6]):[n:7]>>[n:1]:[c:3](:[n:2]):[c:4](-[N:5](-[C:6])-[C:14]-[c:13]:1:[c:12]:[c:11]:[c:10](-[O:9]-[C:8]):[c:16]:[c:15]:1):[n:7]	1	11080
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[C:10](=[C:11]-[C:12])-[C:14]=[C:13]):[c:15]:[c:16]:1>>[O:9]-[C:10](=[C:11]-[C:12])-[C:14]=[C:13].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:17]):[c:15]:[c:16]:1	1	11081
+[C:1](=[O:2])-[N:3](-[N:4])-[C:5](=[O:6])-[N:7]>>[C:1](=[O:2])-[N:3]-[C:5](=[O:6])-[N:7].[N:4]-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:20]:[c:16]:1-[N+:17](=[O:18])-[O-:19]	1	11085
+[c:1]:[c:2](:[c:3])-[N:7](-[C:5](-[N:4])=[O:6])-[C:8]>>[c:1]:[c:2](:[c:3])-[F:9].[N:4]-[C:5](=[O:6])-[N:7]-[C:8]	1	11124
+[C:1](-[c:2]:[c:4]:[n:3])=[O:5]>>[C:1]-1(-[c:2]:[c:4]:[n:3])-[O:5]-[C:9]-[C:6]-[C:7]-[O:8]-1	1	11131
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[C:7]):[n:8]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N:11].[C:6](-[C:7])(=[N:8])-[O:10]-[C:9]	1	11133
+[N:1]-[C:2]=[C:3]-[N:4]>>[N:1]-[C:2]=[C:3](-[N:4])-[Br:5]	1	11140
+[c:1]-[N:2](-[C:3]=[N:4]-[c:5])-[C:6]=[O:7]>>[c:1]-[N:2]-[C:6]=[O:7].[N+:4](-[c:5])(=[O:8])-[O-:9].[C:3](-[C:10])-[O:11]	1	11144
+[O:1]=[C:2](-[N:3])-[c:4]:1:[n:5]:[c:6]:2:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:2:[n:12]:1-[c:13]>>[O:1]=[C:2](-[N:3])-[C:4](=[O:14])-[O:15].[N:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:1-[N:12]-[c:13]	1	11152
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[C:6])-[C:7]>>[N:3](-[C:4](=[O:5])-[C:6])-[C:7].[C:1]-[C:2]-[Cl:8]	1	11154
+[C:1](#[N:2])-[c:3]:1:[c:4](:[n:5]:[c:6](-[N:7]):[n:8]:[c:9]:1-[c:10]:[c:12]:[n:11])-[O:13]>>[N:5]-[C:6](-[N:7])=[N:8].[C:1](#[N:2])-[C:3]-[C:4](=[O:13])-[O:16]-[C:15]-[C:14].[C:9](-[c:10]:[c:12]:[n:11])=[O:17]	1	11157
+[C:1]-[C:2]-[O:3]-[c:4].[C:5]-[N:6]=[C:7]-1-[N:8]-[C:9]=[C:10]-[N:11]-[C:12]-1=[O:13]>>[O:3]-[c:4].[C:5]-[N:6]-[C:7]-1=[N:8]-[C:9]=[C:10]-[N:11]-[C:12]-1=[O:13].[C:1]-[C:2]-[O:22]-[S:19](-[c:18]:1:[c:17]:[c:16]:[c:15]:[c:14](:[c:23]:1)-[N+:25](=[O:24])-[O-:26])(=[O:20])=[O:21]	1	11166
+[c:1]-[N:2]-1-[C:3]=[N:4]-[c:5]:[c:6]-[C:7]-1=[O:8]>>[c:1]-[N:2].[N:4]-[c:5]:[c:6]-[C:7](=[O:8])-[O:10].[C:3](-[O:12]-[C:11])(-[O:13]-[C:14])-[O:15]-[C:9]	1	11168
+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[c:6](:[c:7](:[c:8]):[n:10]:1-[C:11]):[c:9]>>[n:1]:[c:2]:[c:3]-[C:4](-[N:5]-[c:6](:[c:7](:[c:8])-[N:10]-[C:11]):[c:9])=[O:12]	1	11193
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[s:7]):[c:8]:[n:9]>>[C:3](=[O:4])(-[c:5](:[c:6]:[s:7]):[c:8]:[n:9])-[O:10].[c:1]-[N:2]	1	11202
+[N:1](-[c:2]:1:[n:3]:[c:4](:[c:5]):[n:6]:[c:7]:[c:8]:1)=[N+:10]=[N-:9]>>[c:2]:1(:[n:3]:[c:4](:[c:5]):[n:6]:[c:7]:[c:8]:1)-[Cl:11].[N-:1]=[N+:10]=[N-:9]	1	11208
+[N:1]-[C:2]=[C:3](-[N:4]-[S:5](=[O:6])(=[O:7])-[C:8])-[C:9]=[C:10]>>[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:11].[N:1]-[C:2]=[C:3](-[N:4])-[C:9]=[C:10]	1	11246
+[c:1]:[c:2](-[C:3]-[S:4](=[O:5])(=[O:6])-[C:7]):[n:8]>>[S:4](=[O:5])(-[O:6])-[C:7].[c:1]:[c:2](-[C:3]-[I:9]):[n:8]	1	11257
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[C:6])-[c:7]>>[O:1]-[C:2](=[O:3])-[C:4](-[c:7])=[O:8].[C:5](-[C:6])-[P+:13](-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:27]:[c:26]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	1	11258
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[C:6]-1-[C:7]-[C:8]-1>>[C:6]-1(-[C:7]-[C:8]-1)-[Mg:10]-[Br:9].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:13](-[O:12]-[C:11])-[C:14]	1	11261
+[C:1](-[C:2])(-[c:3])(-[C:4]-1-[C:5]-[C:6]-1)-[O:7]>>[C:4]-1(-[C:5]-[C:6]-1)-[Mg:9]-[Br:8].[C:1](-[C:2])(-[c:3])=[O:7]	1	11263
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:1)-[I:6]	1	11264
+[O:1]=[C:2]-1-[C:3]-[N:4]=[C:5](-[n:6]:2:[c:7]:[n:8]:[c:9]:[c:10]:2)-[C:11]=[C:12]-[N:13]-1>>[n:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:1.[O:1]=[C:2]-1-[C:3]-[N:4]-[C:5](-[C:11]=[C:12]-[N:13]-1)=[O:14]	1	11266
+[C:1](=[O:2])(-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])-[O:8]>>[c:3](:[n:4]:[c:5]:[c:6]):[c:7].[C:1](=[O:2])=[O:8]	1	11285
+[O:1]=[C:2](-[N:3](-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[C:10])-[N:11]>>[O:1]=[C:2](-[N:3]-[C:10])-[N:11].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[I:12]	1	11291
+[O:1]=[C:2](-[N:3](-[c:4](:[c:5]:[c:6]:[s:7]):[c:8])-[C:9])-[N:10]>>[O:1]=[C:2](-[N:3]-[C:9])-[N:10].[c:4](:[c:5]:[c:6]:[s:7])(:[c:8])-[Br:11]	1	11292
+[C:1]-[C:6](-[C:3](-[C:2])=[C:4]-[c:5])=[O:7]>>[C:4](-[c:5])=[O:8].[C:1]-[C:6](-[C:3]-[C:2])=[O:7]	1	11304
+[c:1]:[c:2](-[N:3]-1-[C:4]=[C:5]-[C:6](-[O:7])=[C:8]-[C:9]-1=[O:10]):[c:11]:[n:12]>>[c:1]:[c:2](:[c:11]:[n:12])-[I:13].[n:3]:1:[c:4]:[c:5]:[c:6](-[O:7]):[c:8]:[c:9]:1-[O:10]	1	11315
+[c:1]:[c:2](:[c:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[N:4]-[c:5](:[n:6]):[c:7].[c:1]:[c:2](:[c:3])-[F:8]	1	11336
+[c:1]:1:[c:2]:[n:3]:[c:4](-[n:5]:2:[c:6]:[c:7]:[c:8]:[c:10]:2:[c:9]):[n:11]:[c:12]:1>>[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[c:9].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:11]:[c:12]:1)-[Cl:13]	1	11356
+[c:1]:[c:2](-[N:3]-1-[N:4]=[C:5]-[c:6](:[c:7]):[c:9](:[c:8])-[C:10]-1=[O:11]):[c:12]>>[n:3]:1:[n:4]:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[c:10]:1-[O:11].[c:1]:[c:2](:[c:12])-[Br:13]	1	11381
+[c:1]:1:[c:2]:[o:3]:[c:4](-[O:5]-[c:6]):[n:7]:1>>[O:5]-[c:6].[c:1]:1:[c:2]:[o:3]:[c:4](:[n:7]:1)-[Cl:8]	1	11386
+[c:1]:1:[n:2]:[c:3]-2:[c:4](:[c:5]:[n:6]:1)-[C:7]=[C:8](-[Br:9])-[C:10](=[O:11])-[N:12]-2-[C:13]-[c:14]>>[C:13](-[c:14])-[Cl:15].[c:1]:1:[n:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[c:7]:[c:8](-[Br:9]):[c:10](-[O:11]):[n:12]:2	1	11387
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5]-1):[n:6]:[c:7]:[c:8]>>[c:1]:[c:2](:[n:6]:[c:7]:[c:8])-[Cl:9].[C:3]-1(-[C:4]-[C:5]-1)-[B:11](-[O:10])-[O:12]	1	11388
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](-[C:6]):[n:7]:[o:8]:1):[n:9]>>[c:1]:[c:2](-[C:3](=[O:10])-[O:11]):[n:9].[N:4]-[C:5](-[C:6])=[N:7]-[O:8]	1	11392
+[C:1](-[c:2](:[n:3]):[s:4])(-[N:5]-[c:6])=[O:7]>>[C:1](-[c:2](:[n:3]):[s:4])(=[O:7])-[Cl:8].[N:5]-[c:6]	1	11401
+[c:1]:[c:2]:1:[c:3](:[c:4]:[c:5](-[c:6](:[n:7]):[s:8]):[n:9]:[c:10]:1:[c:11])-[O:12]>>[c:1]:[c:2](-[C:3](-[C:4])=[O:12]):[c:10](-[N:9]-[C:5](-[c:6](:[n:7]):[s:8])=[O:13]):[c:11]	1	11402
+[C:1]#[C:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[n:7]:1)-[I:12].[C:1]#[C:2]-[Si:9](-[C:8])(-[C:10])-[C:11]	1	11403
+[c:1]:[c:3](:[n:2])-[N:4]>>[c:1]:[c:3](:[n:2])-[N:4](-[C:5])-[C:6]	1	11407
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[c:7](:[n:8]):[c:9]):[n:10]:[c:11]:2:[n:12]:1>>[C:6](-[c:7](:[n:8]):[c:9])=[O:13].[c:1]:1:[c:2]:[c:3]:[c:4](-[N+:5](=[O:14])-[O-:15]):[c:11](-[N:10]):[n:12]:1	1	11414
+[C:1]=[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:8].[C:1]=[C:2]-[B-:10](-[F:9])(-[F:11])-[F:12]	1	11419
+[C:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1:[n:8]>>[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1:[n:8].[C:1]-[C:2]-[Br:9]	1	11424
+[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5]-[C:6]-1=[O:7])-[Cl:8]>>[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5]-[C:6]-1=[O:7])-[O:13].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	1	11425
+[N:1]-1-[C:2]=[C:3]-[C:4](-[O:5]-[C:6])=[C:7]-[C:8]-1=[O:9]>>[N:1]-1-[C:2]=[C:3]-[C:4](=[C:7]-[C:8]-1=[O:9])-[Cl:10].[O:5]-[C:6]	1	11426
+[O:1]-[C:2]-[C:3]>>[O:1]-[C:2].[C:3]-[C:5]-[I:4]	1	11449
+[C:1]=[C:2]-[C:3](-[O:4]-[C:5]-[c:6](:[c:7]):[s:8])=[C:9]-[C:10]>>[C:1]=[C:2]-[C:3](-[O:4])=[C:9]-[C:10].[C:5](-[c:6](:[c:7]):[s:8])-[Cl:11]	1	11454
+[N:1]-1-[C:2](=[O:3])-[c:4]:2:[c:5](:[n:6]:[c:7](-[C:8]):[n:9]:2)-[N:10]-[C:11]-1=[O:12]>>[C:7](-[C:8])(-[O:15]-[C:14]-[C:13])=[O:16].[N:1]-1-[C:2](=[O:3])-[C:4](=[C:5](-[N:6])-[N:10]-[C:11]-1=[O:12])-[N:9]	1	11466
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[C:7]>>[C:1]-[C:2](-[N:6]-[C:7])=[O:12].[N-:3]=[N+:4]=[N:5]-[Si:9](-[C:8])(-[C:10])-[C:11]	1	11471
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[C:1]-[C:2](-[N:3]-[N:4])=[O:7].[C:5](-[c:6])(=[O:8])-[O:9]	1	11473
+[c:1]:[c:2]:1:[c:3](:[n:4]:[c:5](-[C:6]=[N:7]):[n:8]:1):[c:9]>>[C:5](-[C:6]=[N:7])(=[O:10])-[O:11].[c:1]:[c:2](:[c:3](-[N:4]):[c:9])-[N+:8](=[O:12])-[O-:13]	1	11493
+[c:1]:1:[n:2]:[n:3]:[n:4]:[n:5]:1-[C:6]>>[c:1]:1:[n:2]:[n:3]:[n:4]:[n:5]:1.[C:6]-[I:7]	1	11537
+[c:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[n:7]:1-[c:8]>>[c:1]-[C:2](-[C:3]#[C:4]-[C:5])=[O:9].[N:6]-[N:7]-[c:8]	1	11560
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[c:3](:[c:4])(:[c:5])-[B:8](-[O:7])-[O:9]	1	11575
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6](:[c:5]):[n:7]):[c:8]:[n:9]>>[c:3](:[c:4])(:[c:6](:[c:5]):[n:7])-[Br:10].[c:1]:[c:2](:[c:8]:[n:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	1	11593
+[O:1]=[C:2]-1-[N:3]-[c:4]:[c:5]-[C:6](=[O:7])-[N:8]-1-[C:9]>>[N:8]-[C:9].[O:1]=[C:2](-[O:16]-[C:13](-[Cl:12])(-[Cl:14])-[Cl:15])-[O:17]-[C:18](-[Cl:19])(-[Cl:20])-[Cl:21].[N:3]-[c:4]:[c:5]-[C:6](=[O:7])-[O:11]-[C:10]	1	11596
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[C:6](-[C:7])-[C:8]>>[C:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[C:6]-[C:8]-[C:7])-[Cl:9]	1	11628
+[C:1]-[N:2]=[C:4](-[c:3])-[c:5]>>[C:1]-[N:2].[c:3]-[C:4](-[c:5])=[N:6]	1	11636
+[N:1]-[C:2]-[C:3]-[C:4]-[O:5]>>[N:1]#[C:2]-[C:3]-[C:4](=[O:5])-[O:8]-[C:7]-[C:6]	1	11638
+[C:1]-[N:2]=[N:3]-[C:4]>>[C:1]-[N:2].[N:3]-[C:4]	1	11646
+[N:1]-[C:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[N:1]#[C:2]-[C:6].[c:3](:[c:4])(:[c:5])-[C:11](-[C:10]-1(-[N:8](-[C:7])-[C:9])-[C:13]-[C:14]-[C:15]-[C:16]-1)-[N:12]	1	11650
+[c:1]:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]-[C:7](-[N:8])=[O:9]):[c:10]>>[N:5]-[C:6]-[C:7](-[N:8])=[O:9].[c:1]:[c:2]:[n:3]:[c:4](:[c:10])-[Cl:11]	1	11651
+[O:1]=[C:2](-[C:3])-[N:4]-[O:5]-[C:7](-[C:6])(-[C:8])-[C:9]>>[O:1]-[C:2](-[C:3])=[O:10].[N:4]-[O:5]-[C:7](-[C:6])(-[C:8])-[C:9]	1	11658
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:6](-[C:5]):[c:7](-[C:8]):[c:10]:1-[C:9]>>[C:7](-[C:8])-[C:10](-[C:9])=[O:12].[c:1]:[c:2]:[c:3](:[c:4])-[N:6](-[C:5])-[N:11]	1	11669
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2]-[C:3](-[C:7])=[O:10].[c:4](:[c:5])(:[c:6])-[Mg:9]-[Br:8]	1	11674
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[C:4])(-[C:5])-[Br:7]	1	11676
+[C:1](=[O:2])(-[C:3](-[c:4])-[C:5](-[C:6])-[C:7])-[O:8]>>[C:5](-[C:6])(-[C:7])-[Br:9].[C:1](=[O:2])(-[C:3]-[c:4])-[O:8]	1	11680
+[c:1]:1:[n:2]:[n:3](-[C:4](-[C:5])-[C:6]):[c:7](:[c:8]):[c:9]:1>>[C:4](-[C:5])(-[C:6])-[Br:10].[c:1]:1:[n:2]:[n:3]:[c:7](:[c:8]):[c:9]:1	1	11684
+[c:1](-[O:2]-[C:3](-[C:4])-[C:5]):[c:6]:[o:7]>>[C:3](-[C:4])(-[C:5])-[Br:8].[c:1](-[O:2]):[c:6]:[o:7]	1	11686
+[c:1]:[c:2](-[C:3](=[N:4]-[N:5])-[C:6]):[c:7]>>[C:3](=[N:4]-[N:5])(-[C:6])-[Cl:17].[c:1]:[c:2](:[c:7])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16]	1	11700
+[c:1]-[C:2](-[C:3]-[C:4])-[C:5](=[O:6])-[O:7]>>[c:1]-[C:2](=[C:3]-[C:4])-[C:5](=[O:6])-[O:7]	1	11701
+[n:1]:[c:2](-[C:3](-[C:4]-[C:5])-[c:6]):[c:7]>>[n:1]:[c:2](-[C:3](=[C:4]-[C:5])-[c:6]):[c:7]	1	11702
+[c:1]-[C:2]-1=[N:3]-[N:4](-[c:5])-[C:6](-[C:7])-[C:8]-1-[C:9]>>[c:1]-[C:2](-[C:8](=[C:6]-[C:7])-[C:9])=[O:10].[N:3]-[N:4]-[c:5]	1	11703
+[c:1](:[c:2]-[C:3]-[C:4]):[o:5]>>[c:1](:[c:2]-[C:3](-[C:4])-[O:6]):[o:5]	1	11719
+[c:1](:[c:2]-[C:3](-[C:4])-[O:6]):[o:5]>>[c:1](:[c:2]-[C:3](-[C:4])=[O:6]):[o:5]	1	11720
+[N:1]-[C:2](=[O:3])-[C:4]>>[C:2](=[O:3])(-[C:4])-[O:7].[N:1](-[Si:9](-[C:8])(-[C:10])-[C:11])-[Si:12](-[C:5])(-[C:6])-[C:13]	1	11721
+[C:1]-[C:10]=[C:5](-[C:3](-[N:2])=[O:4])-[C:6](=[O:7])-[N:8]-[C:9]>>[C:1]-[C:10]=[C:5](-[C:3](-[N:2])=[O:4])-[C:6](=[O:7])-[O:13]-[C:12]-[C:11].[N:8]-[C:9]	1	11736
+[c:1]-[C:2]-1=[N:3]-[N:4](-[C:5]-[C:6])-[C:7](=[O:8])-[C:9](-[C:10](=[O:11])-[O:13])=[C:12]-1>>[C:5](-[C:6])-[O:18]-[S:15](-[C:14])(=[O:16])=[O:17].[c:1]-[c:2]:1:[n:3]:[n:4]:[c:7](-[O:8]):[c:9](-[C:10](=[O:11])-[O:13]):[c:12]:1	1	11739
+[C:1]-[C:2]-1=[C:3](-[Cl:4])-[C:5](=[O:6])-[N:7]-[N:8]-1>>[C:1]-[C:2]-1=[C:3]-[C:5](=[O:6])-[N:7]-[N:8]-1.[Cl:4]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	1	11747
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[c:6]:2:[n:7]:[c:8](-[N:9]):[n:10]:[c:11]:[c:12]:2>>[N:7]=[C:8](-[N:9])-[N:10].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[C:12]#[C:11])=[O:13]	1	11759
+[c:1]:[c:2](:[c:3]):[n:6]:[c:5](:[c:4])-[Cl:7]>>[c:1]:[c:2](:[c:3]):[n:6]:[c:5]:[c:4].[Cl:7]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:17](:[c:12]:1)-[C:14](=[O:13])-[O:15]-[O:16]	1	11766
+[c:1]:1:[n:2]:[n:3]:[c:5](:[c:4]):[c:6]:1-[c:7]:2:[c:8]:[c:9]:[n:10]:[c:11]:[c:12]:2>>[c:1]:1:[n:2]:[n:3]:[c:5](:[c:4]):[c:6]:1-[Br:13].[c:7]:1(:[c:8]:[c:9]:[n:10]:[c:11]:[c:12]:1)-[B:15](-[O:14])-[O:16]	1	11772
+[C:1]-[C:2]-1=[C:3]-[c:4](:[c:5](:[n:6])-[N:9](-[C:10])-[C:11]-1=[O:12]):[c:8]:[n:7]>>[C:3](-[c:4](:[c:5](:[n:6])-[N:9]-[C:10]):[c:8]:[n:7])=[O:16].[C:1]-[C:2]-[C:11](=[O:12])-[O:15]-[C:14]-[C:13]	1	11780
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])-[O:8].[C:1]-[C:2](=[O:3])-[O:4]	1	11785
+[C:1](-[C:2])(-[O:3]-[C:4](=[O:5])-[O:6])-[I:7]>>[C:1](-[C:2])(-[O:3]-[C:4](=[O:5])-[O:6])-[Cl:8].[I:7]	1	11794
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:7](-[C:8])-[O:9]-[C:10](=[O:11])-[O:12]>>[C:7](-[C:8])(-[O:9]-[C:10](=[O:11])-[O:12])-[I:13].[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1	1	11795
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[S:6]-[C:7]>>[S:6]-[C:7].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[Cl:8]	1	11818
+[c:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[c:6]):[c:7]:[s:8]:1>>[C:4](=[O:5])(-[c:6])-[O:9].[c:1]:1:[c:2]:[c:3]:[c:7]:[s:8]:1	1	11839
+[c:1]:[c:2]:1-[C:3](=[O:4])-[N:5]-[C:6](-[c:7])=[N:10]-[n:11]:1:[c:12].[c:8]-[N:9]>>[c:1]:[c:2]:1-[C:3](=[O:4])-[N:5]=[C:6](-[c:7])-[N:10]-[n:11]:1:[c:12].[c:8]-[N+:9](=[O:13])-[O-:14]	1	11849
+[c:1](-[C:2]-1=[N:3]-[n:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[N:10]-1):[c:11]:[c:12](-[N+:13](=[O:15])-[O-:16]):[c:14]>>[c:1](-[C:2]=1-[N:3]-[n:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[N:10]=1):[c:11]:[c:12]:[c:14].[N+:13](=[O:15])(-[O-:16])-[O:17]	1	11850
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:1:[c:6]:[o:7]:[n:8]:[c:9]:1>>[N:4]-[c:5]:1:[c:6]:[o:7]:[n:8]:[c:9]:1.[C:1]-[C:2](=[O:3])-[Cl:10]	1	11855
+[c:1]:[c:2](-[N:3]-[c:4](:[n:5]):[n:6]):[n:7]:[n:8]>>[N:3]-[c:4](:[n:5]):[n:6].[c:1]:[c:2](:[n:7]:[n:8])-[Cl:9]	1	11865
+[C:1]-[C:2](=[C:3])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:19].[C:3]-[P+:24](-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:23]:3:[c:17]:[c:18]:[c:20]:[c:21]:[c:22]:3	1	11874
+[C:1]-[C:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])#[N:9].[C:1]-[C:2]-[Br:10].[O:5](-[C:6]-[C:11])-[C:7]-[C:8]	1	11890
+[c:1]-[N:2]-1-[C:3](=[S:4])-[N:5](-[c:6])-[C:7](=[O:8])-[C:9]-1>>[c:1]-[N:2]-[C:9]-[C:7]#[N:10].[C:3](=[S:4])=[N:5]-[c:6].[O:8]	1	11891
+[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[c:7]:2:[c:8]-1:[n:9]:[c:10](-[C:11]):[n:12]:2>>[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[C:7](=[C:8]-1-[N:9]-[C:10](-[C:11])=[O:13])-[N:12]	1	11931
+[N:1]#[C:2]-[c:3](:[n:4]):[s:5]>>[N:1]-[C:2](-[c:3](:[n:4]):[s:5])=[O:6]	1	11936
+[N:1]=[C:2](-[N:3]-[O:4])-[c:5](:[n:6]):[s:7]>>[N:1]#[C:2]-[c:5](:[n:6]):[s:7].[N:3]-[O:4]	1	11937
+[N:1]-[C:2](-[c:3](:[n:4]):[s:5])=[O:8]>>[C:2](-[c:3](:[n:4]):[s:5])(-[O:7]-[C:6]-[C:9])=[O:8].[N:1]	1	11938
+[c:1]:1:[c:2]:[n:3]:[c:4](-[O:5]-[C:6]):[n:7]:[c:8]:1>>[O:5]-[C:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[F:9]	1	11956
+[c:1]:[c:3](:[n:2]):[n:4]:[c:5]:[c:6]>>[c:1]:[c:3](:[n:2]):[n+:4](:[c:5]:[c:6])-[O-:7]	1	11967
+[C:1]-[C:2]-[O:3]-[C:4](-[O:5]-[C:6])-[c:7]>>[O:3]=[C:4]-[c:7].[C:1]-[C:2]-[O:12]-[C:11](-[O:5]-[C:6])-[O:10]-[C:9]-[C:8]	1	11971
+[c:1]:[c:3](:[n:2]):[n+:4](:[c:5]:[c:6])-[O-:7]>>[c:1]:[c:3](:[n:2]):[n:4]:[c:5]:[c:6].[O:7]-[O:15]-[C:14](=[O:13])-[c:16]:1:[c:12]:[c:10](:[c:9]:[c:8]:[c:17]:1)-[Cl:11]	1	11972
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[C:7](-[C:6])=[O:8]>>[C:4](-[C:5])-[C:7](-[C:6])=[O:8].[O:1]-[C:2](=[O:3])-[O:10]-[C:9]	1	11980
+[O:1]=[C:2](-[N:3]-[C:4])-[c:5](:[c:6]):[c:7]>>[N:3]-[C:4].[O:1]=[C:2](-[C:8])-[O:9].[c:5](:[c:6])(:[c:7])-[I:10]	1	11993
+[C:1]-[N:2]-1-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[c:9]:[c:10]-1>>[N:2]-1-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[c:9]:[c:10]-1.[C:1]-[I:11]	1	11994
+[c:1]-[O:2]-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:7](-[C:8](-[C:9])-[C:10](=[O:11])-[O:14])-[N:12]=[C:13]-1>>[C:8](-[C:9])(-[C:10](=[O:11])-[O:14]-[C:15])-[Br:16].[C:3]-1(=[C:4](-[C:5](=[O:6])-[N:7](-[N:12]=[C:13]-1)-[C:19]-2-[C:20]-[C:21]-[C:22]-[C:23]-[O:24]-2)-[Cl:18])-[Cl:17].[c:1]-[O:2]	1	11998
+[C:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7].[C:1]-[C:2]-[O:13]-[S:10](-[c:9]:1:[c:14]:[c:15]:[c:17](-[C:16]):[c:18]:[c:19]:1)(=[O:11])=[O:12]	1	12018
+[C:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6](:[n:7]):[c:9]:1:[c:8]>>[C:1]-[C:2]-[O:18]-[S:15](-[c:14]:1:[c:13]:[c:12]:[c:11](-[C:10]):[c:20]:[c:19]:1)(=[O:16])=[O:17].[n:3]:1:[c:4]:[c:5]:[c:6](:[n:7]):[c:9]:1:[c:8]	1	12021
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6]:2:[c:7]:[c:8]:[c:9]:[s:10]:2):[c:11]:1>>[c:6]:1(:[c:7]:[c:8]:[c:9]:[s:10]:1)-[Br:12].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:11]:1)-[Sn:14](-[C:13])(-[C:15])-[C:16]	1	12023
+[c:1]-[O:2]-[c:3]:1:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1>>[c:3]:1(:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1)-[Cl:11].[c:1]-[O:2]	1	12033
+[c:1]:1:[n:2]:[n:3]:[c:4](:[c:5]):[c:7]:1:[n:6]>>[c:1]:1:[n:2]:[n:3](:[c:4](:[c:5]):[c:7]:1:[n:6])-[C:11]-2-[C:10]-[C:9]-[C:8]-[C:13]-[O:12]-2	1	12034
+[C:1]-[C:2]-1=[C:3](-[O:4])-[C:5](=[O:6])-[N:7](-[C:8]-[C:9])-[C:10]=[C:11]-1>>[C:8](-[C:9])-[O:12].[C:1]-[c:2]:1:[c:3](-[O:4]):[c:5](-[O:6]):[n:7]:[c:10]:[c:11]:1	1	12039
+[C:1]-[N:2]-[c:3]:1:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[n:11]:1>>[c:3]:1(:[c:4]:2:[c:5]:[n:6]:[n:7](:[c:8]:2:[n:9]:[c:10]:[n:11]:1)-[C:13]-3-[C:14]-[C:15]-[C:16]-[C:17]-[O:18]-3)-[Cl:12].[C:1]-[N:2]	1	12040
+[O:1]=[C:2](-[O:3])-[c:4]:1:[n:5]:[c:6](-[C:7]):[n:8]:[c:9](-[O:10]):[c:11]:1-[O:12]>>[N:5]=[C:6](-[C:7])-[N:8].[O:1]=[C:2](-[O:3])-[C:4](=[C:11](-[C:9](-[O:10])=[O:13])-[O:12])-[O:14]	1	12052
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5]-[N:6]-[C:7](=[O:8])-[C:9]>>[N:5]-[N:6]-[C:7](=[O:8])-[C:9].[C:1]-[N:2]=[C:3]=[S:4]	1	12063
+[C:1](=[O:2])(-[c:3]:1:[n:4]:[c:5](-[C:6]):[n:7]:[c:8](-[O:9]):[c:10]:1-[O:11])-[O:12]>>[N:4]-[C:5](-[C:6])=[N:7].[C:1](=[O:2])(-[C:3](=[C:10](-[C:8](-[O:9])=[O:13])-[O:11])-[O:14])-[O:12]	1	12067
+[C:1]-1=[N:2]-[N:3](-[C:4](-[C:5])-[C:6])-[C:7](=[O:8])-[C:9]-1>>[C:1]-1=[N:2]-[N:3]-[C:7](=[O:8])-[C:9]-1.[C:4](-[C:5])(-[C:6])-[O:18]-[S:15](-[c:14]:1:[c:13]:[c:12]:[c:11](-[C:10]):[c:20]:[c:19]:1)(=[O:16])=[O:17]	1	12069
+[O:1]-[C:2](-[C:3]-[C:4](-[S:5]-[c:6])(-[C:7])-[C:8])=[O:9]>>[O:1]-[C:2](-[C:3]=[C:4](-[C:7])-[C:8])=[O:9].[S:5]-[c:6]	1	12073
+[O:1]=[C:2](-[c:3]:1:[c:4](-[C:5]):[o:6]:[n:7]:[c:8]:1-[C:9])-[O:10]>>[O:1]=[C:2](-[C:3](-[C:4](-[C:5])=[O:11])-[C:8](-[C:9])=[O:12])-[O:10].[O:6]-[N:7]	1	12074
+[O:1]=[C:2](-[c:3]:1:[c:4](-[C:5]):[o:6]:[n:7]:[c:8]:1-[c:9])-[O:10]>>[O:1]=[C:2](-[C:3]-[C:4](-[C:5])=[O:11])-[O:10].[O:6]-[N:7]=[C:8]-[c:9]	1	12079
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]):[n:7]:1-[C:8]-[C:9](=[O:10])-[O:11]>>[C:1]-[C:2](-[C:3]-[C:4]-[C:5](-[C:6])=[O:13])=[O:12].[N:7]-[C:8]-[C:9](=[O:10])-[O:11]	1	12080
+[N:1]-1-[C:2](=[O:3])-[N:4]=[C:5](-[N:6]-[c:7])-[C:13]=[C:14]-1.[c:8]-[N:9]-[C:10](=[O:11])-[C:12]>>[C:10](=[O:11])(-[C:12])-[Cl:15].[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[N:6]-[c:7])-[C:13]=[C:14]-1.[c:8]-[N:9]	1	12085
+[C:1]-[C:2](-[O:3])=[C:4](-[c:5]:1:[n:6]:[c:7](-[C:8]):[n:9]:[o:10]:1)-[N:11]>>[C:1]-[C:2](-[O:3])=[C:4](-[C:5](=[O:12])-[O:13])-[N:11].[N:6]=[C:7](-[C:8])-[N:9]-[O:10]	1	12095
+[C:1](=[O:2])(-[C:3](-[C:4])-[N:5]-1-[N:6]=[C:7]-[C:8]=[C:9]-[C:10]-1=[O:11])-[O:12]>>[C:1](=[O:2])(-[C:3](-[C:4])-[Br:13])-[O:12].[n:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:[c:10]:1-[O:11]	1	12123
+[n:1]:[n:2](-[C:3]-[c:4](:[c:5]):[c:6]):[c:7]:[c:8]>>[n:1]:[n:2](-[C:3]):[c:7]:[c:8].[c:4](:[c:5])(:[c:6])-[C:14]-[n:13]:1:[c:12]:[c:11]:[c:10](-[N:9]):[n:15]:1	1	12130
+[C:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[I:6].[C:1]-[N:2]	1	12162
+[N:1]-[C:5](=[C:3](-[C:2])-[N+:4])-[C:6]-[N:7]-[C:8]>>[N:7]-[C:8].[N:1]-[C:5](=[C:3](-[C:2])-[N+:4])-[C:6]-[Br:9]	1	12189
+[C:1]-[C:2](=[O:3])-[C:4](=[C:5]-[C:6])-[C:8](-[N:7])=[O:9]>>[C:1]=[C:2](-[O:3]-[C:11]-[C:10])-[C:4](=[C:5]-[C:6])-[C:8](-[N:7])=[O:9]	1	12198
+[N:1]-[C:2](=[N:3])-[c:4]>>[N:1]=[C:2](-[N:3]-[O:5])-[c:4]	1	12209
+[c:1]:[c:2](-[N:3]-[c:4](:[c:5]):[c:6]):[n:7]>>[c:1]:[c:2](-[N:3]-[C:11]-1-[C:10]-[C:9]-[C:8]-[C:12]-1):[n:7].[c:4](:[c:5])(:[c:6])-[N:13]	1	12217
+[n:1]:[n:2]:1:[c:3](:[n:4]:[c:5]:[c:6]:[c:7]:1:[c:8])-[S:10]-[C:9]>>[n:1]:[n:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:[c:7]:1:[c:8].[C:9]-[S:10]-[S:12]-[C:11]	1	12222
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]-[C:7]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:12]-[C:11]-1-[C:10]-[C:9]-[C:8]-[C:13]-1.[N:6]-[C:7]	1	12223
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]=[N:7]):[n:8]>>[C:4](=[O:5])(-[C:6]=[N:7])-[O:9].[c:1]:[c:2](-[N:3]):[n:8]	1	12227
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[O:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13].[c:1]-[O:2]	1	12228
+[C:1]-[N:2]-[C:3]=[C:4]-[C:5]>>[C:1]-[N:2](-[C:3]=[C:4]-[C:5])-[C:9](-[O:8]-[C:7]-[C:6])=[O:10]	1	12236
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6]=[O:7]):[c:8](:[c:9]):[c:11]:1:[c:10]>>[C:1]-[C:2]-1-[N:3]-[C:4]=[C:5](-[C:6]=[O:7])-[c:8](:[c:9]):[c:11]-1:[c:10]	1	12237
+[c:1]:[c:2](-[C:3](-[C:4])-[C:5]):[c:6]>>[C:3](-[C:4])(-[C:5])-[Zn+:8].[c:1]:[c:2](:[c:6])-[Br:7]	1	12240
+[O:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[c:7]:2:[c:8]:1:[n:9]:[n:10]:[c:11]:2>>[O:1]=[C:2](-[N:3])-[c:8]:1:[c:7](-[N:6]-[C:4](-[C:5])=[O:12]):[c:11]:[n:10]:[n:9]:1	1	12242
+[N:1]-[c:2]:1:[c:3]:[o:4]:[n:5]:[c:6]:1>>[N+:1](-[c:2]:1:[c:3]:[o:4]:[n:5]:[c:6]:1)(=[O:7])-[O-:8]	1	12244
+[o:1]:[c:2](:[c:3]):[c:5](:[c:4])-[c:6](:[n:7]:[c:8]:[c:9]):[c:10]>>[c:6](:[n:7]:[c:8]:[c:9])(:[c:10])-[Cl:20].[o:1]:[c:2](:[c:3]):[c:5](:[c:4])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	1	12254
+[c:1](-[C:2](=[N:3]-[c:4])-[N:7](-[C:5]=[O:6])-[c:8]):[c:9]:[n:10]>>[N:3]-[c:4].[C:5](=[O:6])-[N:7]-[c:8].[c:1](-[C:2]=[O:11]):[c:9]:[n:10]	1	12255
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[n:6]:[n:7]:[n:8]:2):[c:9](-[O:10]):[n:11]:1>>[C:1]-[C:2](-[N:3]-[c:4]:1:[c:5](:[n:6]:[n:7]:[n:8]:1)-[C:9](=[O:10])-[N:11])=[O:12]	1	12266
+[O:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[c:7]:2:[c:8]:1:[c:9]:[n:10]:[n:11]:2>>[O:1]=[C:2](-[N:3])-[c:8]:1:[c:7](-[N:6]):[n:11]:[n:10]:[c:9]:1.[C:4](-[C:5])(-[O:13]-[C:12])=[O:14]	1	12272
+[O:1]=[C:2](-[N:3]-[C:4]-[C:5](=[O:8])-[O:9])-[N:6]-[c:7]>>[O:1]=[C:2]=[N:3]-[C:4]-[C:5](=[O:8])-[O:9].[N:6]-[c:7]	1	12300
+[c:1]:1(:[c:2](-[C:3]):[c:5](-[C:4]):[n:6]:[c:7](:[c:8]):[c:10]:1:[c:9])-[Cl:11]>>[C:2](-[C:3])-[C:5](-[C:4])=[O:18].[C:1](-[c:10](:[c:7](-[N:6]):[c:8]):[c:9])(=[O:16])-[O:17].[Cl:11]-[P:13](=[O:12])(-[Cl:14])-[Cl:15]	1	12337
+[n:1]:1:[c:2]:[c:3](:[s:4]):[c:5](-[C:6](-[C:7])=[C:9]-[C:8]):[c:10]:1>>[C:6](-[C:7])(-[C:9]-[C:8])=[O:11].[n:1]:1:[c:2]:[c:3](:[s:4]):[c:5]:[c:10]:1	1	12341
+[c:1]:1:[c:2]:[n:3]:[c:4]:2:[n:5]:[c:6](-[C:7]):[c:8]:[c:9]:2:[n:10]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]):[c:9](-[C:8]#[C:6]-[C:7]):[n:10]:1	1	12348
+[C:1]-[c:2]:1:[c:3](-[C:4](-[C:5])=[O:11]):[o:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:3](-[C:4](-[C:5])=[O:11])-[Br:12].[C:1]-[C:2](-[c:8](:[c:7](-[O:6]):[c:10]):[c:9])=[O:13]	1	12349
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:7]:[c:8](-[c:9]:2:[c:10]:[n:11]:[n:12]:[c:13]:2):[s:14]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[C:6])=[O:15])-[Cl:16].[N:7]-[C:8](-[c:9]:1:[c:10]:[n:11]:[n:12]:[c:13]:1)=[S:14]	1	12354
+[C:1]-[O:2]-[C:5](-[O:4]-[C:3])(-[C:6])-[C:7]>>[C:1]-[O:2].[C:3]-[O:4].[C:5](-[C:6])(-[C:7])(-[O:10]-[C:9])-[O:11]-[C:8]	1	12360
+[C:1]-[O:2].[O:3]-[C:4](-[C:5])-[C:6]>>[C:1]-[O:2]-[C:4](-[O:3])(-[C:5])-[C:6]	1	12389
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6].[c:7]-[N:8]=[C:9](-[C:10])-[N:11]-[S:12]>>[N:5]-[c:6].[c:7]-[N:8]-[C:9](-[C:10])=[N:11]-[S:12].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:13]	1	12390
+[C:1]-[C:2]-[N:3]-[C:4]-[C:5](=[O:6])-[N:7]>>[N:3]-[C:4]-[C:5](=[O:6])-[N:7].[C:1]-[C:2]=[O:8]	1	12403
+[N:1](-[C:2]-[C:3])(-[c:4])-[N:5]>>[C:2](-[C:3])-[Br:6].[N:1](-[c:4])-[N:5]	1	12406
+[C:1]-[C:2]-[C:3]-[C:4]>>[C:1]-[C:2]-[C:5]-[C:3]-[C:4]	1	12433
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[C:7](-[N:6])=[O:8]>>[C:4](-[C:5])-[C:7](-[N:6])=[O:8].[O:1]-[C:2](=[O:3])-[Cl:9]	1	12437
+[c:1](:[c:2]:[c:3]):[c:5](:[c:4])-[O:6]>>[c:1](:[c:2](:[c:3])-[O:6]-[C:7]):[c:5]:[c:4]	1	12446
+[C:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[c:6]:[c:7]:[n:8]):[n:9]:1>>[S:4]=[C:5](-[c:6]:[c:7]:[n:8])-[N:9].[C:1]-[C:2](-[C:3]-[Cl:11])=[O:10]	1	12449
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[B:3](-[O:4])(-[O:5])-[B:13]-1-[C:12]-[O:11]-[C:9](-[C:8])(-[C:10])-[O:15]-[C:14]-1	1	12491
+[N:1]-[C:2](=[O:3])-[C:4](=[C:5]-[N:6])-[C:7]=[O:8]>>[C:2](=[O:3])(-[C:4](=[C:5]-[N:6])-[C:7]=[O:8])-[O:11]-[C:10]-[C:9].[N:1]	1	12498
+[C:1]-[C:2](-[N:3])=[C:4]-[C:5](=[O:6])-[N:7]>>[C:1]-[C:2](-[C:4]-[C:5](=[O:6])-[N:7])=[O:8].[N:3]	1	12499
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1-[c:6]:2:[c:7]:[n:8]:[c:9]:[c:10]:[n:11]:2>>[c:6]:1(:[c:7]:[n:8]:[c:9]:[c:10]:[n:11]:1)-[Cl:12].[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1	1	12514
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[C:7]):[n:8]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:8]:1)-[O:9].[O:6]-[C:7]	1	12517
+[c:1]:[c:9]:1:[c:2]:[n:3]:[c:4]:[c:5](-[O:6]-[C:7]):[n:8]:1>>[O:6]-[C:7].[c:1]:[c:9]:1:[c:2]:[n:3]:[c:4]:[c:5](:[n:8]:1)-[Br:10]	1	12520
+[O:1]=[C:2]=[N:3]-[c:4](:[c:5]):[c:6]>>[O:1]=[C:2](-[c:4](:[c:5]):[c:6])-[O:10].[N:3](=[N+:12]=[N-:11])-[P:13](=[O:14])(-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)-[c:21]:2:[c:9]:[c:8]:[c:7]:[c:23]:[c:22]:2	1	12548
+[N:1](-[c:2](:[n:3]):[s:4])=[C:5]=[O:6]>>[N:1]-[c:2](:[n:3]):[s:4].[C:5](=[O:6])(-[O:9]-[C:8]-[C:7])-[C:10]	1	12565
+[C:1]=[C:2](-[C:3])-[C:4]>>[C:2](-[C:3])(-[C:4])=[O:23].[C:1]-[P+:8](-[c:7]:1:[c:6]:[c:5]:[c:24]:[c:22]:[c:21]:1)(-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2)-[c:15]:3:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:3	1	12569
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[C:7]-[O:8]>>[C:6]-1-[C:7]-[O:8]-1.[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1	1	12570
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6](=[C:7]-[C:8])-[C:10]=[C:9]):[s:11]>>[C:4](=[O:5])(-[C:6](=[C:7]-[C:8])-[C:10]=[C:9])-[O:12].[n:1]:[c:2](-[N:3]):[s:11]	1	12575
+[C:1]-[C:2](-[O:3])=[C:4](-[C:5](-[N:6]-[C:7]-[C:8]=[O:11])=[O:9])-[N:10]>>[C:1]-[C:2](-[O:3])=[C:4](-[C:5](=[O:9])-[O:12])-[N:10].[N:6]-[C:7]-[C:8]=[O:11]	1	12590
+[O:1]=[C:2](-[N:3])-[C:4]-1=[C:5]-[N:6](-[C:7]-[C:8])-[c:9](:[c:10]):[c:12](:[c:11])-[C:13]-1=[O:14]>>[C:7](-[C:8])-[Cl:15].[O:1]=[C:2](-[N:3])-[c:4]:1:[c:5]:[n:6]:[c:9](:[c:10]):[c:12](:[c:11]):[c:13]:1-[O:14]	1	12602
+[O:1]=[C:2]-1-[C:3]=[C:4](-[c:5]:[c:7]:[n:6])-[C:8]=[C:9]-[N:10]-1-[C:11]-[C:12]>>[C:11](-[C:12])-[Cl:13].[O:1]-[c:2]:1:[c:3]:[c:4](-[c:5]:[c:7]:[n:6]):[c:8]:[c:9]:[n:10]:1	1	12605
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[o:7]:1>>[c:1]-[C:2](-[N:3]-[N:4]-[C:5](-[N:6])=[S:8])=[O:7]	1	12608
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:2:[n:11]:1-[C:12]>>[N:4]-[c:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:1-[N:11]-[C:12].[c:1]-[N:2]=[C:3]=[S:13]	1	12611
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8]):[c:10]>>[c:1]:[c:2](:[c:10])-[Br:11].[c:3]:1(:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8])-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24]	1	12625
+[C:1](=[O:2])-[C:3](-[C:4])-[C:5]-[N:6](-[C:7])-[C:8]>>[C:5]=[O:9].[N:6](-[C:7])-[C:8].[C:1](=[O:2])-[C:3]-[C:4]	1	12675
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[s:7]>>[N:4](-[C:5])-[C:6].[c:1]:[c:2](-[C:3]-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11]):[s:7]	1	12683
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[I:9]	1	12684
+[O:1]=[C:2](-[N:3]-[c:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[O:1]=[C:2](-[O:11]-[C:8](-[Cl:9])(-[Cl:10])-[Cl:17])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16].[N:3]-[c:4]	1	12697
+[C:1]#[C:2]-[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1]#[C:2]-[C:3]-[C:4]-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11]	1	12714
+[N:1]-[C:2]=[C:3](-[C:4]-[N:5](-[C:6])-[C:7])-[C:8]=[O:9]>>[N:5](-[C:6])-[C:7].[N:1]-[C:2]=[C:3](-[C:4]=[O:10])-[C:8]=[O:9]	1	12762
+[c:1]:[c:2](-[C:3]-[C:4]):[c:5]>>[C:3](-[C:4])#[N:9].[c:1]:[c:2](:[c:5])-[C:8]-[Mg:7]-[Cl:6]	1	12810
+[O:1]=[C:2](-[N:3]-[c:4])-[c:5](:[n:6]):[s:7]>>[N:3]-[c:4].[O:1]=[C:2](-[c:5](:[n:6]):[s:7])-[O:8]	1	12850
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]>>[N:3](-[C:4])(-[C:5])-[c:14]:1:[c:13]:[c:12]:[c:11](-[S:8](-[C:7])(=[O:9])=[O:10]):[c:19]:[c:15]:1-[C:16](=[O:17])-[O:18].[c:1]:[c:2](:[c:6])-[Cl:20]	1	12867
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[c:5](:[c:6]:1):[c:7](:[c:8](:[n:9]):[n:12]:2):[c:11]:[n:10]>>[C:1]-1-[C:2]-[C:3]-[c:4]:2:[c:5](-[C:6]-1):[c:7](:[c:8](:[n:9]):[n:12]:2):[c:11]:[n:10]	1	12876
+[c:1]:[c:2](-[C:3]-1=[N:4]-[O:5]-[C:6](=[O:7])-[N:8]-1-[C:9](=[O:10])-[N:11]):[n:12]>>[C:9](=[O:10])(-[N:11])-[Cl:13].[c:1]:[c:2](-[C:3]=1-[N:4]-[O:5]-[C:6](=[O:7])-[N:8]=1):[n:12]	1	12901
+[C:1](-[C:2]-[C:3](-[C:4](-[C:5])=[O:8])-[C:6])=[O:7]>>[C:3](=[C:4](-[C:5])-[N:13]-1-[C:12]-[C:11]-[C:10]-[C:14]-1)-[C:6].[O:8].[C:1](-[C:2]-[Br:9])=[O:7]	1	12909
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:8]-[C:7]-[C:6].[C:1]-[O:2]	1	12919
+[n:1]:[c:2](:[c:3])-[N:5](-[c:4])-[C:6]-[C:7]>>[C:6](-[C:7])-[Cl:8].[n:1]:[c:2](:[c:3])-[N:5]-[c:4]	1	12921
+[S:1]-[C:2]-1-[N:3]=[C:4]-[O:5]-[C:6]-1-[C:7]>>[O:5]=[C:6]-[C:7].[S:1]-[C:2]-[N+:3]#[C-:4]	1	12934
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5]:[o:6]:1>>[C:1]-[C:2]=[O:6].[C:3](-[N+:4]#[C-:5])-[S:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[C:7]):[c:16]:[c:15]:1)(=[O:13])=[O:14]	1	12935
+[c:1]:1:[c:2](-[c:3]:2:[c:4]:[c:5](:[c:6](:[s:7]:2):[c:8]):[n:9]):[c:10]:[n:11]:[n:12]:1>>[c:3]:1(:[c:4]:[c:5](:[c:6](:[s:7]:1):[c:8]):[n:9])-[Br:13].[c:1]:1:[c:2](:[c:10]:[n:11]:[n:12]:1)-[B:14]-2-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19](-[C:20])(-[C:21])-[O:22]-2	1	12970
+[O:1]=[C:2]-1-[N:3]-[c:4]:2:[c:5]:[c:6](:[c:7](:[c:8]):[n:10]:[c:11]:2-[N:12]-1):[c:9]>>[O:1]=[C:2]-1-[N:3]-[C:4](=[C:5]-[c:6](:[c:7](:[c:8])-[N+:10](=[O:13])-[O-:14]):[c:9])-[C:11](-[N:12]-1)=[O:15]	1	12979
+[c:1]-[C:2](-[N:3])=[S:4]>>[c:1]-[C:2]#[N:3].[S:4]=[P:15]-1-2-[S:14]-[P:11]-3(-[S:10]-[P:8](-[S:7]-[P:6](=[S:5])(-[S:13]-3)-[S:16]-1)(=[S:9])-[S:17]-2)=[S:12]	1	12985
+[C:1]-[N:2]-[C:3](-[N:4](-[C:5])-[C:6])=[O:7]>>[N:4](-[C:5])-[C:6].[C:3](=[O:7])(-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[Cl:13].[C:1]-[N:2]	1	13014
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:2:[c:6]:1:[c:7]:[n:8]:[c:9]:2-[N:10]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[C:7]-[N:8]-[C:9](-[N:10])=[O:11]	1	13042
+[n:1]:[c:2](-[C:3]-[C:4]-[c:5](:[n:6]):[n:7]):[n:8]>>[n:1]:[c:2](-[C:3]=[C:4]-[c:5](:[n:6]):[n:7]):[n:8]	1	13058
+[c:1]:[c:10]:[n:9]:[c:3](:[c:2])-[N:4](-[C:5])-[C:7](-[C:6])=[O:8]>>[N:4](-[C:5])-[C:7](-[C:6])=[O:8].[c:1]:[c:10]:[n:9]:[c:3](:[c:2])-[Cl:11]	1	13067
+[O:1]=[C:2](-[C:3])-[N:5](-[C:4])-[C:6]-[c:7](:[n:8]):[n:9]>>[O:1]=[C:2](-[C:3])-[N:5]-[C:4].[C:6](-[c:7](:[n:8]):[n:9])-[Cl:10]	1	13078
+[O:1]=[P:2](-[c:3])(-[C:4]=[C:5])-[C:7]=[C:6]>>[C:4](=[C:5])-[Mg:9]-[Br:8].[C:6]-1-[C:7]-[O:12]-[C:10]-[C:11]-1.[O:1]=[P:2](-[c:3])(-[Cl:13])-[Cl:14]	1	13094
+[c:1]-1:[c:2]-[N:3]-[C:4](=[O:5])-[N:6]-1-[C:7]>>[C:4]-1-[O:5]-[C:10]-[C:8]-[C:9]-1.[c:1](:[c:2]-[N:3])-[N:6]-[C:7]	1	13100
+[C:1]-[C:2]-[C:3](-[C:4]-[C:5])(-[c:6])-[O:7]>>[C:4]-1-[O:12]-[C:11]-[C:10]-[C:13]-1.[C:1]-[C:2]-[Mg:9]-[Br:8].[C:3](-[c:6])(=[O:7])-[O:14]-[C:5]	1	13101
+[C:1]-[C:2](=[O:3])-[c:4](:[n:5]):[c:6]>>[O:3]-1-[C:11]-[C:10]-[C:9]-[C:12]-1.[C:2](-[c:4](:[n:5]):[c:6])#[N:13].[C:1]-[Mg:8]-[Br:7]	1	13105
+[O:1]-[C:2]-[C:3]-[c:4]>>[O:1]-1-[C:7]-[C:6]-[C:5]-[C:8]-1.[C:2]=[C:3]-[c:4]	1	13106
+[c:1]:[c:2](:[c:3])-[C:5]=[O:4]>>[O:4]-1-[C:5]-[C:7]-[C:6]-[C:8]-1.[c:1]:[c:2]:[c:3]	1	13108
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]>>[C:4]-1-[C:10]-[C:9]-[O:12]-[C:11]-1.[C:3]-[Mg:8]-[Br:7].[C:1]-[C:2](-[O:5])=[O:6]	1	13110
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]>>[C:4]-1-[C:9]-[C:8]-[O:11]-[C:10]-1.[C:3]-[Mg:7]-[Br:6].[C:1]-[C:2](=[O:5])-[O:14]-[C:13]-[C:12]	1	13111
+[C:1]=[C:2]-[c:3]>>[C:1]-1-[O:6]-[C:5]-[C:4]-[C:7]-1.[C:2](-[c:3])=[O:8]	1	13112
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[O:5]-1>>[C:4]-1-[O:8]-[C:7]-[C:6]-[C:9]-1.[C:1]-[C:2](-[C:3])=[O:5]	1	13113
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[C:6])-[C:7]>>[C:3]-1-[O:4]-[C:10]-[C:8]-[C:9]-1.[C:1]-[N:2]-[C:7].[N:5]-[C:6]	1	13114
+[C:1](-[c:2](:[n:3]):[c:4])=[O:5]>>[O:5]-1-[C:8]-[C:7]-[C:6]-[C:9]-1.[C:1](-[c:2](:[n:3]):[c:4])#[N:10]	1	13118
+[C:1](=[O:2])-[O:3]-[C:4]>>[C:4]-1-[O:7]-[C:6]-[C:5]-[C:8]-1.[C:1](=[O:2])-[O:3]	1	13119
+[c:1]:[c:2](-[C:3]-1(-[c:4])-[C:5]-[C:6]-1):[n:7]>>[C:6]-1-[O:10]-[C:9]-[C:8]-[C:11]-1.[c:1]:[c:2](-[C:3](-[c:4])=[C:5]):[n:7]	1	13120
+[C:1](-[c:2](:[c:3]):[c:5]:[n:4])=[O:6]>>[C:1]-1-[O:6]-[C:7]-[C:9]-[C:10]-1.[c:2](:[c:3])(:[c:5]:[n:4])-[Br:8]	1	13124
+[C:1]=[C:2](-[C:3])-[C:4]>>[C:1]-1-[O:7]-[C:6]-[C:5]-[C:8]-1.[C:2](-[C:3])(-[C:4])=[O:9]	1	13127
+[c:1]-[N:2](-[C:3]=[C:4])-[C:6](-[c:5])=[O:7]>>[C:3](=[C:4])-[O:8]-[C:6](-[c:5])=[O:7].[c:1]-[N:2]	1	13131
+[C:1](=[C:2])-[C:5]-[N:4]-[C:3]>>[C:1](=[C:2])-[C:5]-[N:4](-[C:3])-[C:9](-[O:8]-[C:7]-[C:6])=[O:10]	1	13147
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]-[C:7](-[N:8])=[O:9]>>[C:1]-[N:2]-[C:6]-[C:7](-[N:8])=[O:9].[C:3](-[O:4])(-[C:5])=[O:10]	1	13150
+[c:1]:[c:2](-[C:3]-[c:4]):[n:5]:[n:6]>>[c:1]:[c:2](:[n:5]:[n:6])-[Cl:7].[C:3](-[c:4])-[Zn+:8]	1	13152
+[c:1]-[C:2]-1=[N:3]-[C:4]-[C:5]-[O:6]-1>>[c:1]-[C:2](-[N:3]-[C:4]-[C:5]-[O:7])=[O:6]	1	13174
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[s:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[s:7])-[O:10]-[C:9]-[C:8].[N:1]-[N:2]	1	13180
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]-[C:6]>>[N:3]-[C:4].[C:1]-[C:2]-[Cl:7].[C:5](-[C:6])-[Cl:8]	1	13199
+[c:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[C:3](=[O:4])-[N:10]-1-[C:9]-[C:8]-[C:7]-[C:12]-[C:11]-1.[c:1]:[c:2](:[c:5])-[Br:6]	1	13216
+[C:1](-[c:2](:[c:3]):[c:4])=[O:5]>>[C:1](=[O:5])-[N:6]-1-[C:7]-[C:8]-[C:9]-[C:10]-[C:11]-1.[c:2](:[c:3]):[c:4]	1	13217
+[n:1]:[c:2]:1:[c:3](:[n:4]:[c:5]:[c:6]:1):[c:7]:[n:8]>>[n:1]:[c:2]:1:[c:3](:[n:4](:[c:5]:[c:6]:1)-[C:15]-[O:14]-[C:13]-[c:12]:2:[c:11]:[c:10]:[c:9]:[c:17]:[c:16]:2):[c:7]:[n:8]	1	13228
+[c:1]-[C:2]-1-[N:3]=[C:4]-[N:5]-[C:6](-[C:7])=[C:8]-1-[C:9](=[O:10])-[O:11]>>[C:6](-[C:7])(-[C:8]-[C:9](=[O:10])-[O:11])=[O:12].[N:3]=[C:4]-[N:5].[c:1]-[C:2]=[O:13]	1	13247
+[O:1]=[C:2](-[O:3])-[C:4]-1=[C:5](-[C:6])-[N:7]=[C:8](-[c:9])-[N:10]-[C:11]-1-[c:12]>>[O:1]=[C:2](-[O:3])-[C:4]-[C:5](-[C:6])=[O:13].[C:11](-[c:12])=[O:14].[N:7]-[C:8](-[c:9])=[N:10]	1	13248
+[O:1]=[C:2](-[O:3])-[C:4](-[c:5](:[c:6]):[c:7])-[N:9](-[C:8])-[S:10]>>[c:5](:[c:6]):[c:7].[C:8]-[N:9]-[S:10].[O:1]=[C:2](-[O:3])-[C:4]=[O:11]	1	13253
+[O:1]=[C:2](-[C:3]-[S:4]-[C:5]-[C:6])-[O:7]>>[C:5](-[C:6])-[Cl:8].[O:1]=[C:2](-[C:3]-[S:4])-[O:7]	1	13261
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[N:6]):[n:7]):[n:8]>>[N:5]-[N:6].[c:1](:[c:2](-[C:3](=[O:4])-[Cl:9]):[n:7]):[n:8]	1	13266
+[C:1]-[C:4](=[C:3]-[C:2])-[O:5]-[C:6](=[O:7])-[C:8]>>[C:1]-[C:4](=[C:3]-[C:2])-[O:5].[C:6](=[O:7])(-[C:8])-[Cl:9]	1	13301
+[C:1]-[N:2](-[C:3]-[C:4]-[O:5])-[C:6](=[O:7])-[C:8]>>[C:3]-1-[C:4]-[O:5]-1.[C:1]-[N:2]-[C:6](=[O:7])-[C:8]	1	13304
+[c:1]:[c:3](:[c:2])-[C:4]=[C:5]-[S:6]>>[C:4]=[C:5]-[S:6].[c:1]:[c:3](:[c:2])-[Br:7]	1	13316
+[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](:[c:6](:[c:7]):[n:9]:1-[C:10]-[C:11](=[O:12])-[O:13]):[c:8]>>[C:1]-[C:2](-[C:3]-[C:4])=[O:16].[C:10](-[C:11](=[O:12])-[O:13])-[Br:14].[c:5](:[c:6](:[c:7])-[N:9]-[N:15]):[c:8]	1	13332
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6]-[C:7]-[C:8](=[O:9])-[O:14]):[c:10](:[c:11]:1-[C:12])-[C:13]>>[C:10](-[C:11]-[C:12])(-[C:13])=[O:17].[C:6](-[C:7]-[C:8](=[O:9])-[O:14])-[Br:15].[c:1]:[c:2]:[c:3](:[c:4])-[N:5]-[N:16]	1	13333
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6]-[C:7]#[N:8]):[c:9](:[c:10]:1-[C:11])-[C:12]>>[C:9](-[C:10]-[C:11])(-[C:12])=[O:15].[C:6](-[C:7]#[N:8])-[Br:13].[c:1]:[c:2]:[c:3](:[c:4])-[N:5]-[N:14]	1	13336
+[n:1]:1:[c:2](:[c:3](:[c:4]):[c:6](:[c:7]:1-[C:8])-[C:9]):[c:5]>>[C:6](-[C:7](-[C:8])=[O:11])-[C:9].[N:1](-[c:3](:[c:2]:[c:5]):[c:4])-[N:10]	1	13342
+[C:1]-[C:2]=[C:3](-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[C:2]-[C:3](-[C:9])=[O:11].[c:4]:1(:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Br:10]	1	13347
+[c:1](:[n:2]):[c:4](:[n:3])-[O:5]-[C:6]>>[c:1](:[n:2]):[c:4](:[n:3])-[Cl:7].[O:5]-[C:6]	1	13374
+[N:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[N:1]-[C:2](-[N:3]-[O:9])=[N:7].[O:4]-[C:5](-[C:6])=[O:8]	1	13401
+[C:1]-[C:2](=[O:3])-[O:5]-[C:4]>>[C:1]-[C:2](=[O:3])-[O:5].[C:4](-[Si:7](-[C:6])(-[C:8])-[C:9])=[N+:10]=[N-:11]	1	13411
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:4](-[C:3])-[C:5]	1	13415
+[n:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6](-[C:7]):[o:8]:1):[c:9]>>[C:6](-[C:7])(=[O:10])-[O:11].[n:1]:[c:2](-[C:3](-[N:4]-[N:5])=[O:8]):[c:9]	1	13433
+[N:1]-1-[C:2](=[O:3])-[C:4]-[N:5]=[C:6]-1-[N:7]>>[N:1]-1-[C:2](=[O:3])-[C:4]-[N:5]-[C:6]-1=[S:8].[N:7]	1	13444
+[N:1]-1-[C:2](=[O:3])-[C:4]-[N:5]-[C:6]-1=[S:7]>>[N:1]-1-[C:2](=[O:3])-[C:4]-[N:5]-[C:6]-1=[O:28].[S:7]=[P:16]-1(-[S:15]-[P:13](-[c:12]:2:[c:11]:[c:10]:[c:9](-[O:8]-[C:29]):[c:27]:[c:26]:2)(=[S:14])-[S:25]-1)-[c:17]:3:[c:18]:[c:19]:[c:20](-[O:21]-[C:22]):[c:23]:[c:24]:3	1	13445
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6](:[c:7]):[c:8]>>[c:6](:[c:7])(:[c:8])-[Br:9].[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[I:10]	1	13455
+[c:1]:[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6](:[c:7]:1:[c:8])-[O:9]>>[c:1]:[c:2](-[N:3]):[c:7](-[C:6](=[O:9])-[O:12]-[C:11]-[C:10]):[c:8].[C:4](-[N:5])=[N:13]	1	13485
+[C:1](-[n:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[n:7]:1)-[Si:9](-[C:8])(-[C:10])-[C:11]>>[C:3]#[C:4]-[c:5].[C:1](-[N:2]=[N+:7]=[N-:6])-[Si:9](-[C:8])(-[C:10])-[C:11]	1	13498
+[c:1]-1:[c:2](:[c:3])-[C:4]-[C:5](=[O:6])-[N:7]-1>>[c:1](:[c:2]:[c:3])-[N:7]-[C:5](-[C:4]-[Cl:8])=[O:6]	1	13503
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]>>[N:5]-[C:6].[c:1]:[c:2](-[C:3](=[O:4])-[O:15]-[c:14]:1:[c:12](:[c:10](:[c:9](-[F:8]):[c:18](:[c:16]:1-[F:17])-[F:19])-[F:11])-[F:13]):[n:7]	1	13519
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[c:6])-[C:7]=[O:8]>>[N:1]-[C:2](=[O:3])-[N:4]-[C:7]=[O:8].[C:5](-[c:6])-[Br:9]	1	13522
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[c:6](-[N:7]):[n:8]:[c:9]:[c:10]:1):[n:11]>>[N:5]=[C:6](-[N:7])-[N:8].[n:1]:[c:2]:[c:3](-[C:4](-[C:10]=[C:9]-[N:13](-[C:12])-[C:14])=[O:15]):[n:11]	1	13531
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[c:6]>>[O:5]-[c:6].[C:1]-[S:2](=[O:3])(=[O:4])-[O:11]-[S:8](-[C:7])(=[O:9])=[O:10]	1	13534
+[C:1]-[N:2](-[C:3])-[c:4]:1:[n:5]:[c:6]:[c:7](:[s:8]:1):[c:9]>>[c:4]:1(:[n:5]:[c:6]:[c:7](:[s:8]:1):[c:9])-[S:11](-[C:10])(=[O:12])=[O:13].[C:1]-[N:2]-[C:3]	1	13537
+[c:1]-[C:2]-1=[C:3]-[C:4]=[C:5]-[N:6](-[C:7](-[C:8])-[C:9])-[C:10]-1=[O:11]>>[C:7](-[C:8])(-[C:9])-[O:12].[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:10]:1-[O:11]	1	13568
+[n:1]:[c:2]:[c:3](-[C:4]-1-[C:5]-[C:6]-1):[c:7]>>[n:1]:[c:2]:[c:3](:[c:7])-[Cl:8].[C:4]-1(-[C:5]-[C:6]-1)-[B:10](-[O:9])-[O:11]	1	13589
+[N:1]-[C:2]=1-[N:3](-[O-:4])-[C:5]=2-[C:6](=[C:7]-[C:8](-[C:9])=[C:11](-[C:10])-[C:12]=2)-[N+:13](=[O:14])-[N:15]=1>>[N:1]-[c:2]:1:[n:3]:[c:5]:2:[c:6](:[c:7]:[c:8](-[C:9]):[c:11](-[C:10]):[c:12]:2):[n+:13](-[O-:14]):[n:15]:1.[O:4]-[C:16]	1	13591
+[S:1]-[N:2]-[c:3]:1:[n:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8]>>[c:3]:1(:[n:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[Br:11].[S:1]-[N:2]	1	13601
+[n:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[n:6]:[n:7]:1):[s:8]>>[n:1]:[c:2](-[C:3]#[N:7]):[s:8].[N-:4]=[N+:6]=[N-:5]	1	13602
+[C:1]-[N:2]-1-[C:3]=[N:4]-[c:5]:[c:6](:[s:7])-[C:8]-1=[O:9]>>[C:1]-[N:2].[C:3](=[N:4]-[c:5]:[c:6](:[s:7])-[C:8](=[O:9])-[O:11]-[C:10])-[N:12](-[C:13])-[C:14]	1	13611
+[N:1]-[C:2]>>[N:1](-[C:2])=[C:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1	1	13629
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[O:7]-[c:8]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[F:9].[O:7]-[c:8]	1	13644
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[o:7]:1)-[C:8]>>[C:1]-[N:2]-[C:8].[c:3]:1(:[n:4]:[c:5]:[c:6]:[o:7]:1)-[Cl:9]	1	13660
+[C:1]-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]>>[C:3](-[C:4])-[N:9]-[C:6]-[C:5].[C:1]-[N:2](-[C:7])-[C:8]	1	13664
+[c:1]:1:[n:2]:[c:3](-[N:4](-[C:5])-[C:6]):[c:7]:[c:8](-[N:9]-[N:10]):[n:11]:1>>[N:4](-[C:5])-[C:6].[c:1]:1:[n:2]:[c:3](:[c:7]:[c:8](:[n:11]:1)-[Cl:13])-[Cl:12].[N:9]-[N:10]	1	13676
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[N:7](-[C:8])-[C:9]):[n:10]:2:[n:11]:[c:12](-[C:13]):[n:14]:[c:15]:1:2>>[N:7](-[C:8])-[C:9].[N:10]-[N:11]-[C:12](-[C:13])=[O:19].[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[C:15]#[N:14].[C:6](-[N:17]-[N:16])=[O:18]	1	13687
+[c:1]:1:[c:2]:[c:3](-[N:4](-[C:5])-[C:6]):[c:7]:[c:8]:[n:9]:1>>[N:4](-[C:5])-[C:6].[c:1]:1:[c:2]:[c:3](:[c:7]:[c:8]:[n:9]:1)-[F:10]	1	13701
+[n:1]:[c:2]:[c:3]:[c:4](-[N:5](-[C:6])-[C:7]):[c:8]:[n:9]>>[N:5](-[C:6])-[C:7].[n:1]:[c:2]:[c:3]:[c:4](:[c:8]:[n:9])-[I:10]	1	13704
+[n:1]:[c:2]:[c:8]:[c:4](:[c:3])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[n:1]:[c:2]:[c:8]:[c:4](:[c:3])-[I:9]	1	13710
+[C:1]-[N:2](-[C:3](=[N:4]-[c:5])-[c:7]:[c:6]:[s:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3](-[c:7]:[c:6]:[s:8])(-[O:12]-[C:11]-[C:10])=[O:13].[N:4]-[c:5]	1	13715
+[c:1](:[c:2]:[s:9])-[C:5](=[N:4]-[c:3])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[c:1](:[c:2]:[s:9])-[C:5](-[N:4]-[c:3])=[O:10]	1	13720
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[n:6](:[c:7]:[c:11]):[c:9](:[c:8]):[c:10]>>[N:3](-[C:4])-[C:5].[c:1]:[c:2](:[n:6](:[c:7]:[c:11]):[c:9](:[c:8]):[c:10])-[Cl:12]	1	13745
+[C:1]-[N:2](-[C:3](=[N:4])-[c:7]:[c:6]:[s:5])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](=[N:4])(-[c:7]:[c:6]:[s:5])-[S:10]-[C:9]	1	13758
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7]>>[C:1]-[N:2]-[C:7].[N:5]-[c:6].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:18]:[c:17]:1)-[Cl:16]	1	13766
+[N:1]-[c:2]:1:[n:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[F:8]):[c:9]:[s:10]:1>>[N:1]-[C:2](-[N:3])=[S:10].[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])(-[C:9]-[Br:12])=[O:11]	1	13772
+[O:1]-[C:2]>>[O:1]-[C:2]-[C:3]	1	13776
+[c:1]-[C:7]=[C:3](-[c:2])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:7]-[C:3](-[c:2])=[O:8]	1	13781
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5]:[c:8](:[n:6]):[n:7])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3](-[O:4])(-[c:5]:[c:8](:[n:6]):[n:7])=[O:10]	1	13791
+[C:1]-[N:2](-[C:3]-[C:4]-[C:6](-[N:5])=[O:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[C:4]-[C:6](-[N:5])=[O:7])-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12]	1	13822
+[C:1]-[N:2](-[C:3](=[O:4])-[Cl:6])-[C:5]>>[C:1]-[N:2]-[C:5].[Cl:6]-[C:11]-[Cl:10].[C:3](=[O:4])(-[O:16]-[C:13](-[Cl:12])(-[Cl:14])-[Cl:15])-[O:17]-[C:18](-[Cl:7])(-[Cl:8])-[Cl:9]	1	13825
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[N:5])-[N:15]-1-[C:14]-[C:13]-[N:12](-[c:11]:2:[c:10]:[c:9]:[c:8](-[F:7]):[c:19]:[c:18]:2)-[C:17]-[C:16]-1	1	13865
+[n:1]:[c:2]:[c:11]:[c:4](:[c:3])-[c:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1>>[n:1]:[c:2]:[c:11]:[c:4](:[c:3])-[Br:12].[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21]	1	13894
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:2:[n:6]:[n:7]:[n:8]:[c:9]:1:2>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:9]:1-[N:8]-[N:7].[N:6](=[O:10])-[O:11]	1	13895
+[c:1]:1:[c:2]:[c:3](-[c:4]:2:[c:5](:[n:6]):[c:7]:[c:8]:[c:9]:[n:10]:2):[n:11]:[n:12]:1>>[c:4]:1(:[c:5](:[n:6]):[c:7]:[c:8]:[c:9]:[n:10]:1)-[Br:13].[c:1]:1:[c:2]:[c:3](:[n:11]:[n:12]:1)-[Sn:18](-[C:17]-[C:16]-[C:15]-[C:14])(-[C:19]-[C:20]-[C:21]-[C:22])-[C:23]-[C:24]-[C:25]-[C:26]	1	13914
+[c:1]:1:[n:2]:[n:3](-[c:4]:2:[c:5](:[n:6]):[c:7]:[c:8]:[c:9]:[n:10]:2):[c:11]:[c:12]:1>>[c:4]:1(:[c:5](:[n:6]):[c:7]:[c:8]:[c:9]:[n:10]:1)-[Br:13].[c:1]:1:[n:2]:[n:3]:[c:11]:[c:12]:1	1	13915
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5](-[C:6](=[O:7])-[O:8])-[c:9]>>[N:1]-[C:2](=[O:3])-[C:4]-[Cl:10].[N:5](-[C:6](=[O:7])-[O:8])-[c:9]	1	13921
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[N:6])-[c:7]:2:[c:8]:[c:9]:[c:10]:[n:11]:[c:12]:2-[N:13](-[C:14]-[c:15])-[C:16]-1=[O:17]>>[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[N:6]):[c:7]:2:[c:8]:[c:9]:[c:10]:[n:11]:[c:12]:2:[n:13]:[c:16]:1-[O:17].[C:14](-[c:15])-[Br:18]	1	13942
+[C:1]=[C:2]-[C:3]-[C:4]-[N:5]>>[C:1]=[C:2]-[C:3]-[C:4](-[N:5])=[O:6]	1	13948
+[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5](-[c:6](:[c:7]):[c:9]:[n:8]):[n:10]:[c:11]:1>>[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5](:[n:10]:[c:11]:1)-[Cl:12].[c:6](:[c:7])(:[c:9]:[n:8])-[B:14](-[O:13])-[O:15]	1	13949
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[c:7]>>[n:1]:[c:2](-[N:3]):[c:7].[C:4](=[O:5])(-[C:6])-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11]	1	13962
+[c:1]:[c:7]:[n:6]:[c:3](:[c:2])-[C:4]-[C:5]>>[c:1]:[c:7]:[n:6]:[c:3](:[c:2])-[Br:10].[C:4](-[C:5])-[Zn:9]-[Br:8]	1	13981
+[O:1]=[C:2](-[C:3]-[C:4](=[O:5])-[N:6])-[N:7]-[c:8]:[c:10]:[n:9]>>[O:1]=[C:2](-[C:3]-[C:4](=[O:5])-[N:6])-[O:11].[N:7]-[c:8]:[c:10]:[n:9]	1	13991
+[N:1]#[C:2]-[C:3]-1=[C:4](-[N:5])-[c:6](:[c:7]):[c:9](:[c:8])-[N:10](-[c:11](:[c:12]):[c:13])-[C:14]-1=[O:15]>>[N:1]#[C:2]-[c:3]:1:[c:4](-[N:5]):[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:[c:14]:1-[O:15].[c:11](:[c:12])(:[c:13])-[B:17](-[O:16])-[O:18]	1	13995
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:1>>[N:6]-[C:7].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:8]:1)-[N:9]	1	14006
+[N:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6]:1:[c:7](-[C:8]):[c:9](:[c:10](-[C:11]):[n:13]:1)-[C:12])-[c:14]>>[C:5](-[c:6]:1:[c:7](-[C:8]):[c:10](:[c:9](-[C:12]):[n:13]:1)-[C:11])=[O:15].[N:1]-[C:2](=[O:3])-[C:4]-[c:14]	1	14012
+[C:1]-[N:2]-1-[C:3]-[c:4]:[c:5](:[n:6])-[N:7]-[C:8]-1=[O:9]>>[C:1]-[N:2]-[C:3]-[c:4]:[c:5](:[n:6])-[N:7].[C:8](=[O:9])(-[n:13]:1:[c:12]:[c:11]:[n:10]:[c:19]:1)-[n:14]:2:[c:15]:[c:16]:[n:17]:[c:18]:2	1	14015
+[c:1]:[c:2]:1-[C:3](-[C:4])=[C:5]-[C:6](=[O:7])-[N:8](-[C:9]-2-[C:10]-[C:11]-2)-[c:12]:1:[c:13]>>[c:1]:[c:2]:1:[c:3](-[C:4]):[c:5]:[c:6](-[O:7]):[n:8]:[c:12]:1:[c:13].[C:9]-1(-[C:10]-[C:11]-1)-[B:15](-[O:14])-[O:16]	1	14020
+[n:1]:[c:2]:[c:3](-[Br:4]):[c:5]>>[Br:4]-[c:10]:1:[c:9]:[c:8](-[O:7]-[C:6]):[c:13](:[n:12]:[c:11]:1)-[N:14]-2-[C:15]-[C:16]-[N:17](-[C:18])-[C:19]-[C:20]-2.[n:1]:[c:2]:[c:3]:[c:5]	1	14023
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[O:10]	1	14032
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:[n:10]:1:2>>[N:3]-[N:4]-[c:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:[n:10]:1.[C:1]-[C:2](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19]	1	14056
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:8]:[c:7]:[n:6]):[c:9](:[c:10]:[n:11]):[n:12]:1>>[c:1]:1:[n:2]:[c:3](:[c:9](:[c:10]:[n:11]):[n:12]:1)-[I:22].[c:4](:[c:5])(:[c:8]:[c:7]:[n:6])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21]	1	14061
+[c:1]-[C:5]-[C:3](-[c:2])-[N:4]>>[c:1]-[C:5]=[C:3](-[c:2])-[N:4]	1	14072
+[c:1](:[c:2]-[C:3]-1-[N:4]-[C:5](=[O:6])-[c:7]:2:[n:8]:[n:9]:[c:10]:[c:11]:2-[N:12]-1):[n:13]>>[c:1](:[c:2]-[C:3]=[O:14]):[n:13].[N:4]-[C:5](=[O:6])-[c:7]:1:[n:8]:[n:9]:[c:10]:[c:11]:1-[N:12]	1	14089
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]>>[C:1](-[C:2]-[C:3](=[O:4])-[N:5])-[Cl:6]	1	14133
+[O:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6]-[N:7])-[C:8]=[O:9]>>[C:3](=[O:4])(-[C:5](=[C:6]-[N:7])-[C:8]=[O:9])-[O:12]-[C:11]-[C:10].[O:1]-[N:2]	1	14137
+[O:1]=[C:2]-1-[C:3]-[C:4]-[C:5]-[N:6]-1-[C:7]>>[O:1]=[C:2](-[C:3]-[C:4]-[C:5]-[Cl:8])-[N:6]-[C:7]	1	14152
+[N:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1>>[N:1]-[C:2](-[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10])=[S:11]	1	14158
+[c:1]:[c:2](-[N:3](-[C:4])-[S:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[N:3](-[C:4])-[S:5]	1	14174
+[c:1]:1:[c:2]:[c:3](-[C:4]#[C:5]-[C:6]):[n:7]:[c:8]:[n:9]:1>>[C:4]#[C:5]-[C:6].[c:1]:1:[c:2]:[c:3](:[n:7]:[c:8]:[n:9]:1)-[Cl:10]	1	14180
+[N:1]-[C:2]-1=[N:3]-[C:4]=[C:5]-[N:6](-[C:7]-[C:8])-[C:9]-1=[O:10]>>[N:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[n:6]:[c:9]:1-[O:10].[C:7](-[C:8])-[O:15]-[S:12](-[C:11])(=[O:13])=[O:14]	1	14185
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[O:7]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[Cl:8].[O:7]	1	14199
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[N:3]-[C:4](=[O:5])-[C:6]	1	14207
+[N:1]-[C:2](=[O:3])-[C:4]-1-[C:5]-[N:6](-[S:7])-[C:8](=[O:9])-[N:10]-1-[C:11]>>[N:1]-[C:2](=[O:3])-[C:4]-1-[C:5]-[N:6]-1-[S:7].[C:8](=[O:9])=[N:10]-[C:11]	1	14215
+[s:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]>>[s:1]:[c:2](-[C:3](=[O:4])-[O:8]):[n:7].[N:5]-[C:6]	1	14217
+[c:1]-[N:2]-[c:3]:1:[n:4]:[n:5]:[c:7](:[c:6]):[n:8]:1>>[c:1]-[N:2].[c:3]:1(:[n:4]:[n:5]:[c:7](:[c:6]):[n:8]:1)-[Cl:9]	1	14222
+[c:1]:[c:2](-[N:3](-[C:4])-[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[N:3](-[C:4])-[c:5]	1	14258
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:3](-[c:5])#[N:6].[C:1]-[O:2].[O:4]-[S:8](=[O:7])(=[O:9])-[O:10]	1	14259
+[n:1]:[c:2]:[c:3](-[C:4]-[C:5]-[c:6]):[c:7]:[n:8]>>[n:1]:[c:2]:[c:3](-[C:4]=[C:5]-[c:6]):[c:7]:[n:8]	1	14264
+[c:1]-[N:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[N:2].[c:3](:[c:4])(:[c:5])-[B:7](-[O:6])-[O:8]	1	14276
+[n:1]:1:[c:2]:[c:3](-[S:4](=[O:5])(=[O:6])-[N:7](-[C:8])-[C:9]):[c:10]:[n:11]:1>>[N:7](-[C:8])-[C:9].[n:1]:1:[c:2]:[c:3](-[S:4](=[O:5])(=[O:6])-[Cl:12]):[c:10]:[n:11]:1	1	14289
+[n:1]:[c:2]:[c:3]:[c:4](-[N+:5](=[O:7])-[O-:8]):[c:6]>>[n:1]:[c:2]:[c:3]:[c:4]:[c:6].[N+:5](-[O:7])(-[O-:8])=[O:9]	1	14293
+[n:1]:[c:2]:1:[c:3](-[c:4](:[c:5]):[c:7]:[n:6]):[c:8]:[n:9]:[n:10]:1>>[n:1]:[c:2]:1:[c:3](:[c:8]:[n:9]:[n:10]:1)-[Br:11].[c:4](:[c:5])(:[c:7]:[n:6])-[B:13](-[O:12])-[O:14]	1	14299
+[O:1]=[C:2](-[N:3]-[O:4])-[c:5](:[c:6]:[n:7]):[s:8]>>[O:1]=[C:2](-[c:5](:[c:6]:[n:7]):[s:8])-[O:10]-[C:9].[N:3]-[O:4]	1	14310
+[c:1]-[N:2]-1-[C:3]-[C:4]-[c:5]:2:[c:6]-1:[n:7]:[c:8]:[n:9]:[c:10]:2>>[C:3](-[C:4]-[c:5]:1:[c:6](:[n:7]:[c:8]:[n:9]:[c:10]:1)-[Cl:11])-[Cl:12].[c:1]-[N:2]	1	14311
+[c:1]:[c:2](-[C:3](=[C:4]-[N:5])-[N:6]):[c:7]>>[C:3](=[C:4]-[N:5])(-[N:6])-[Br:8].[c:1]:[c:2](:[c:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	1	14336
+[c:1]:1:[c:2]:[n:3]:[n:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3](:[n:4]:[n:5]:1)-[C:12]-[c:11]:2:[c:10]:[c:9]:[c:8](-[O:7]-[C:6]):[c:14]:[c:13]:2	1	14363
+[N:1]-[c:2](:[n:3]):[c:4]>>[N:1](-[c:2](:[n:3]):[c:4])-[C:6](=[O:5])-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	14366
+[O-:1]-[N:2]-1-[N:3]=[C:4](-[N:5])-[N+:6](=[O:7])-[C:8]=2-[C:9]-1=[C:10]-[C:11](-[O:12])=[C:14](-[C:13])-[C:15]=2>>[O-:1]-[n+:2]:1:[n:3]:[c:4](-[N:5]):[n:6]:[c:8]:2:[c:9]:1:[c:10]:[c:11](-[O:12]):[c:14](-[C:13]):[c:15]:2.[O:7]-[C:16]	1	14381
+[c:1]-[c:2]:1:[c:3]:[c:4](-[O:5]-[c:6]:2:[n:7]:[c:8]:[n:9]:[c:10]:[c:11]:2):[n:12]:[n:13]:1>>[c:6]:1(:[n:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Cl:14].[c:1]-[C:2]=1-[C:3]-[C:4](=[O:5])-[N:12]-[N:13]=1	1	14390
+[C:1](-[C:2])-[N:7](-[C:4](=[O:3])-[O:5])-[C:6]>>[C:1](-[C:2])-[N:11].[O:3]=[C:4](-[O:5])-[N:7](-[C:6])-[C:9](-[C:8])-[C:10]	1	14404
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]):[n:7]:[c:8]:1>>[N:5]-[C:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[I:9]	1	14418
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[O:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13].[N:3](-[C:4])(-[C:5])-[C:21]-[C:20]-1-[O:19]-[C:18](=[O:17])-[N:23](-[C:22]-1)-[C:24]-[c:25]:2:[c:26]:[c:27]:[c:28](-[F:29]):[c:30]:[c:31]:2	1	14419
+[O:1]=[C:2](-[O:3])-[N:5](-[C:4])-[C:6]-[C:7]>>[C:6](-[C:7])-[N:23]-1-[C:17](=[O:16])-[O:18]-[C:19](-[C:20]-[O:21])-[C:22]-1.[O:1]=[C:2](-[O:3])-[N:5](-[C:4])-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[F:8]):[c:15]:[c:14]:1	1	14420
+[C:1]-[n:2]:1:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:2:[c:8]:1:[c:9]:[c:10]:[n:11]:[c:12]:2>>[C:3](=[N:4]-[C:5])=[S:13].[C:1]-[N:2]-[c:8]:1:[c:7](-[N:6]):[c:12]:[n:11]:[c:10]:[c:9]:1	1	14421
+[n:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7](:[c:8]:[n:9]):[c:11]:1:[n:10]>>[n:1]:1:[n:2]:[c:3](:[c:7](:[c:8]:[n:9]):[c:11]:1:[n:10])-[Cl:21].[c:4](:[c:5])(:[c:6])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	1	14431
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[s:6])-[c:7](:[c:8]):[o:9]>>[O:1]=[C:2](-[c:7](:[c:8]):[o:9])-[Cl:10].[N:3]-[c:4](:[n:5]):[s:6]	1	14466
+[c:1]-[C:2]=[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[C:2]=[O:7].[C:3](-[c:4](:[n:5]):[c:6])-[P+:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:26]:[c:25]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	1	14487
+[c:1]:1:[n:2]:[c:3]:[c:4](-[O:5]-[c:6]):[n:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[n:7]:[c:8]:1)-[Br:9].[O:5]-[c:6]	1	14489
+[n:1]:1:[c:2](-[C:3]=[O:8]):[n:4]:[c:5](:[c:6]):[c:7]:1>>[n:1]:1:[c:2]:[n:4]:[c:5](:[c:6]):[c:7]:1.[C:3](=[O:8])-[N:10](-[C:9])-[C:11]	1	14492
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[c:6](:[c:7]):[c:9]:[n:8]):[n:10]:1>>[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:10]:1)-[Cl:20].[c:6](:[c:7])(:[c:9]:[n:8])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	1	14494
+[n:1]:[c:2]:1:[c:3](:[s:4]:[c:5](-[c:6](:[c:7]):[c:8]):[c:9]:1):[c:10]>>[n:1]:[c:2]:1:[c:3](:[s:4]:[c:5](:[c:9]:1)-[I:11]):[c:10].[c:6](:[c:7])(:[c:8])-[B:13](-[O:12])-[O:14]	1	14504
+[n:1]:[c:4]:[c:3](:[n:2]):[c:6](:[c:5])-[B:7](-[O:8])-[O:9]>>[n:1]:[c:4]:[c:3](:[n:2]):[c:6](:[c:5])-[Br:10].[B:7](-[O:8]-[C:13])(-[O:9]-[C:14])-[O:12]-[C:11]	1	14506
+[C:1](=[O:2])-[N:3]-[C:4]-[c:5]>>[C:1](=[O:2])-[N:3].[C:4](-[c:5])-[Br:6]	1	14518
+[n:1]:[c:2](:[c:3]:[n:9]):[c:5](:[c:4])-[B:6](-[O:7])-[O:8]>>[n:1]:[c:2](:[c:3]:[n:9]):[c:5](:[c:4])-[Br:10].[B:6](-[O:7])(-[O:8])-[O:12]-[C:11]	1	14521
+[C:1]-[N:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[c:9]>>[C:1]-[N:2]-[c:9].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:10]	1	14526
+[N:1]-[C:2](=[N:3]-[c:4])-[C:5]>>[C:2](-[N:3]-[c:4])(-[C:5])=[S:6].[N:1]	1	14527
+[n:1]:1:[c:2]:[c:3](-[c:4](:[n:5]:[c:6](:[c:7]):[c:8]):[c:9]):[c:10]:[n:11]:1>>[c:4](:[n:5]:[c:6](:[c:7]):[c:8])(:[c:9])-[Br:12].[n:1]:1:[c:2]:[c:3](:[c:10]:[n:11]:1)-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21]	1	14528
+[n:1]:[c:2]:[c:3](-[c:4](:[n:5]:[c:6](:[c:7]):[c:8]):[c:9]):[c:10]>>[c:4](:[n:5]:[c:6](:[c:7]):[c:8])(:[c:9])-[Br:11].[n:1]:[c:2]:[c:3](:[c:10])-[B:13](-[O:12])-[O:14]	1	14529
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6](:[n:7](:[n:8]):[c:10]:1:[n:9])-[Br:11]>>[c:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6](:[n:7](:[n:8]):[c:10]:1:[n:9])-[c:18]:2:[c:19]:[s:20]:[c:21](-[C:22](-[N:23])=[O:24]):[c:25]:2)-[N:17]-[c:16]:3:[c:15]:[c:14]:[c:13](-[N:12]-4-[C:28]-[C:29]-[N:41](-[C:40])-[C:42]-[C:43]-4):[c:27]:[c:26]:3.[Br:11]-[c:34]:1:[n:33]:[c:32]:[c:31](-[Br:30]):[n:39]:2:[c:35]:1:[n:36]:[c:37]:[n:38]:2	1	14533
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5]:2:[c:6]:[n:7]:[n:8]:[c:9]:2):[n:10](:[n:11]):[c:12]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[n:10](:[n:11]):[c:12]:1)-[Br:13].[c:5]:1(:[c:6]:[n:7]:[n:8]:[c:9]:1)-[B:18]-2-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-2)(-[C:21])-[C:22]	1	14535
+[c:1]:[c:4]:1:[c:3](:[c:2]):[s:10]:[c:6](:[n:5]:1)-[c:7](:[n:8]):[n:9]>>[c:1]:[c:4](:[c:3]:[c:2])-[N:5]-[C:6](-[c:7](:[n:8]):[n:9])=[S:10]	1	14539
+[O:1]=[C:2](-[c:3])-[N:4](-[C:5]-[C:6]=[C:7])-[C:8]>>[O:1]=[C:2](-[c:3])-[Cl:9].[N:4](-[C:5]-[C:6]=[C:7])-[C:8]	1	14542
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[N:6]):[n:7]:[n:8]:[c:9]:1-[N:10]-[c:11]:[c:13]:[n:12]>>[N:10]-[c:11]:[c:13]:[n:12].[N:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])=[C:9](-[S:15]-[C:14])-[S:16]-[C:17].[N:7]-[N:8]	1	14545
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[C:6]=[C:7])-[C:8]>>[C:1]-[N:2]-[C:8].[S:3](=[O:4])(=[O:5])(-[C:6]-[C:7]-[Cl:9])-[Cl:10]	1	14567
+[C:1](-[c:2](:[c:3]:[s:4]):[n:5])-[Cl:6]>>[C:1]-[c:2](:[c:3]:[s:4]):[n:5].[Cl:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	1	14568
+[c:1](:[n:2])(:[s:3])-[S:5](-[C:4])(=[O:6])=[O:7]>>[c:1](:[n:2])(:[s:3])-[S:5]-[C:4].[O:6]=[S:9](-[O:8])-[O:10]-[O:7]	1	14579
+[C:1](-[c:2](:[c:3]:[s:4]):[n:5])-[P:7](-[O:6])(=[O:8])-[O:9]>>[C:1](-[c:2](:[c:3]:[s:4]):[n:5])-[Cl:12].[O:6]-[P:7](-[O:8]-[C:11]-[C:10])-[O:9]	1	14586
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[n:7]:[c:8]:[c:9]:1>>[c:1]:1:[n:2]:[c:3](:[n:7]:[c:8]:[c:9]:1)-[I:10].[c:4](:[c:5])(:[c:6])-[B:12](-[O:11])-[O:13]	1	14590
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[c:6](-[c:7](:[c:8]:2:[c:9]:[n:10]:[n:11]:[c:12]:2):[c:13]):[n:14]:1>>[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[c:6](:[n:14]:1)-[Cl:24].[c:7](:[c:8]:1:[c:9]:[n:10]:[n:11]:[c:12]:1)(:[c:13])-[B:19]-2-[O:18]-[C:16](-[C:15])(-[C:17])-[C:21](-[O:20]-2)(-[C:22])-[C:23]	1	14597
+[c:1]:[c:2]:[n:3]:1:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[n:9]:[c:10]:[c:11]:1>>[c:1]:[c:2]:[n:3]:1:[c:4](:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Br:12].[c:5](:[c:6])(:[c:7])-[B:14](-[O:13])-[O:15]	1	14607
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[n:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:2:[n:11]:1)-[O:12]>>[n:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1-[N:11].[C:1](=[O:2])(-[C:3](-[C:4]-[Br:14])=[O:13])-[O:12]	1	14612
+[N:1]-[N:2]-1-[N:3]=[C:4](-[N:5])-[c:6](:[c:7]):[c:9](:[c:8])-[C:10]-1=[O:11]>>[n:2]:1:[n:3]:[c:4](-[N:5]):[c:6](:[c:7]):[c:9](:[c:8]):[c:10]:1-[O:11].[N:1]-[O:17]-[P:16](=[O:15])(-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1)-[c:24]:2:[c:14]:[c:13]:[c:12]:[c:26]:[c:25]:2	1	14613
+[C:1]-[N:2]=[S:3]>>[C:1]=[O:4].[N:2]=[S:3]	1	14620
+[c:1](:[n:2]):[c:5]:1:[c:4](:[n:3]):[n:11]:[c:10]:[c:6]:1-[c:7](:[c:8]):[c:9]>>[c:1](:[n:2]):[c:5]:1:[c:4](:[n:3]):[n:11]:[c:10]:[c:6]:1-[Br:12].[c:7](:[c:8])(:[c:9])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21]	1	14622
+[n:1]:[c:2]:[c:3]-[N:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[n:1]:[c:2]:[c:3]-[N:4].[C:5](=[O:6])=[N:7]-[c:8]	1	14628
+[c:1]:[c:2](-[N:3]-1-[C:4]-[C:5]-1):[c:6]>>[N:3]-1-[C:4]-[C:5]-1.[c:1]:[c:2](:[c:6])-[Cl:7]	1	14631
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6]):[c:7](:[c:8]:1-[C:9])-[C:10]>>[C:7](-[C:8]-[C:9])(-[C:10])=[O:12].[c:1]:[c:2]:[c:3](:[c:4])-[N:5](-[C:6])-[N:11]	1	14637
+[c:1]:[c:2](-[N:3]-[C:4]-1=[N:5]-[C:6]-[C:7]-[O:8]-1):[n:9]>>[N:5]-[C:6]-[C:7]-[O:8].[c:1]:[c:2](-[N:3]=[C:4]=[S:10]):[n:9]	1	14639
+[N:1]=[C:2]-1-[N:3]-[C:4]-[C:5]-[O:6]-1>>[N:3]-[C:4]-[C:5]-[O:6].[N:1]=[C:2]=[S:7]	1	14640
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6]-[N:7](-[C:8])-[C:9])-[c:10]>>[C:6]=[O:11].[N:7](-[C:8])-[C:9].[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:10]	1	14654
+[N+:1]-[C:2]=[C:3](-[N:4](-[C:5])-[C:6])-[S:7]>>[N:4](-[C:5])-[C:6].[N+:1]-[C:2]=[C:3](-[S:7])-[S:9]-[C:8]	1	14676
+[O:1]-[c:2]:1:[n:3]:[c:4](-[C:5]-[N:6]-[C:7]):[n:8]:[c:9]:2:[c:10]:1:[o:11]:[c:12](:[c:13]:2:[c:14]:[c:15]):[c:16]>>[C:9]-1-[C:13]-[C:19]-[N:20]-[C:17]-[C:18]-1.[N:6]-[C:7].[O:1]=[C:2](-[N:3])-[C:10]-[O:11]-[c:12](:[c:4](-[C:5]#[N:8]):[c:14]:[c:15]):[c:16]	1	14681
+[c:1](:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]):[n:8]>>[N:4](-[C:5])-[C:6].[c:1](:[c:2](-[C:3]-[Br:9]):[n:7]):[n:8]	1	14684
+[O:1]=[C:2](-[C:3](-[N:4](-[C:5])-[C:6])=[N:7])-[N:8]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2](-[C:3](=[N:7])-[Cl:9])-[N:8]	1	14726
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+[c:1]:[n:2]:[c:3](-[N:4]):[n:5]:[c:6]>>[c:1]:[n:2]:[c:3](:[n:5]:[c:6])-[S:8]-[C:7].[N:4]	1	15849
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+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[c:6](-[c:7](:[c:8]:[c:10]:[n:9]):[c:11]):[n:12]:1>>[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[c:6](:[n:12]:1)-[Cl:13].[c:7](:[c:8]:[c:10]:[n:9])(:[c:11])-[B:15](-[O:14])-[O:16]	1	15883
+[c:1]:[c:2]:1:[n:3]:[c:4](-[O:5]-[C:6]):[n:7]:[c:8]:[c:9]:1>>[O:5]-[C:6].[c:1]:[c:2]:1:[n:3]:[c:4](:[n:7]:[c:8]:[c:9]:1)-[Cl:10]	1	15892
+[n:1]:1:[c:2](-[C:3]):[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[N:1]-[c:6](:[c:5](-[N+:4](=[O:11])-[O-:12]):[c:8]):[c:7].[C:2](-[C:3])(=[O:9])-[O:10]	1	15895
+[O:1]=[C:2](-[C:3]-[N:4](-[c:5](:[c:6]):[c:7])-[C:8])-[N:9]>>[c:5](:[c:6])(:[c:7])-[Br:10].[O:1]=[C:2](-[C:3]-[N:4]-[C:8])-[N:9]	1	15912
+[N:1]-[C:2](-[c:3](:[n:4]):[n:5])=[S:6]>>[N:1]-[C:2](-[c:3](:[n:4]):[n:5])=[O:26].[S:6]=[P:14]-1(-[S:13]-[P:11](-[c:10]:2:[c:9]:[c:8]:[c:7](:[c:25]:[c:24]:2)-[O:28]-[C:27])(=[S:12])-[S:23]-1)-[c:15]:3:[c:16]:[c:17]:[c:18](-[O:19]-[C:20]):[c:21]:[c:22]:3	1	15928
+[c:1]:[c:2](:[s:3]):[c:4](-[c:5](:[c:6]):[c:7]):[c:8]>>[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12].[c:1]:[c:2](:[s:3]):[c:4](:[c:8])-[Br:9]	1	15934
+[C:1]-1(-[N:2]-[c:3](:[c:4](:[c:5])-[C:7](-[C:8])-[C:10]-1-[C:9]):[c:6])=[O:11]>>[c:1]:1(:[n:2]:[c:3](:[c:4](:[c:5]):[c:7](-[C:8]):[c:10]:1-[C:9]):[c:6])-[O:11]	1	15945
+[C:1]-[C:2](-[c:3]:[c:4]:[n:5])=[O:6]>>[C:1]=[C:2](-[c:3]:[c:4]:[n:5])-[O:6]-[C:8]-[C:7]	1	15953
+[N:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]):[n:7]:[c:8]:[c:9]:1>>[c:3]:1(:[n:4]:[c:5](:[c:6]):[n:7]:[c:8]:[c:9]:1)-[Cl:10].[N:1]-[N:2]	1	15957
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]:[c:11]:[n:10]>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:21].[c:1]:[c:2](:[c:9]:[c:11]:[n:10])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	1	15958
+[O:1]=[C:2]-[c:3]:1:[c:4]:[c:5](:[c:6](:[s:7]:1):[c:8]):[n:9]>>[c:3]:1:[c:4]:[c:5](:[c:6](:[s:7]:1):[c:8]):[n:9].[O:1]=[C:2]-[N:11](-[C:10])-[C:12]	1	15974
+[n:1]:[c:2]:[c:3](-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:[n:11]:1:[c:10]:[c:9]):[c:12]>>[c:4]:1(:[c:5]:[n:6]:[c:7]:[c:8]:[n:11]:1:[c:10]:[c:9])-[Br:13].[n:1]:[c:2]:[c:3](:[c:12])-[B:18]-1-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-1)(-[C:21])-[C:22]	1	15982
+[C:1]-[C:2](-[O:3])-[C:4](-[O:5])-[C:6]>>[O-:3]-[N+:8]-1(-[C:7])-[C:9]-[C:10]-[O:11]-[C:12]-[C:13]-1.[O:5]=[Os:15](=[O:14])(=[O:16])=[O:17].[C:1]-[C:2]=[C:4]-[C:6]	1	16022
+[C:1]-1=[C:2]-[N:3]-[C:4](=[O:5])-[C:6](-[F:7])=[C:8]-1-[Cl:9]>>[F:7]-[N+:15]-1-2-[C:14]-[C:13]-[N+:12](-[C:11]-[Cl:10])(-[C:17]-[C:16]-1)-[C:19]-[C:18]-2.[C:1]-1=[C:2]-[N:3]-[C:4](=[O:5])-[C:6]=[C:8]-1-[Cl:9]	1	16028
+[c:1]:[c:2](-[F:3]):[c:4]>>[F:3]-[N+:5]-1-2-[C:6]-[C:7]-[N+:12](-[C:9]-[C:8]-1)(-[C:11]-[Cl:10])-[C:13]-[C:14]-2.[c:1]:[c:2]:[c:4]	1	16030
+[n:1]:1:[n:2]:[c:3]:[c:4](-[F:5]):[c:6]:1>>[F:5]-[N+:12]-1-2-[C:11]-[C:10]-[N+:9](-[C:8]-[Cl:7])(-[C:14]-[C:13]-1)-[C:16]-[C:15]-2.[n:1]:1:[n:2]:[c:3]:[c:4]:[c:6]:1	1	16031
+[C:1](=[C:2](-[C:5])-[c:6])(-[C:3]#[N:4])-[C:8](-[O:7])=[O:9]>>[C:2](-[C:5])(-[c:6])=[O:10].[C:1](-[C:3]#[N:4])-[C:8](-[O:7])=[O:9]	1	16039
+[C:1]-[C:2]-[C:3](-[C:4])(-[c:5])-[O:6]>>[C:3](-[C:4])(-[c:5])=[O:6].[C:1]-[C:2]-[Mg:8]-[Br:7]	1	16040
+[c:1]-[O:2]-[C:3](-[C:4])(-[C:5]-[I:6])-[C:7]>>[c:1]-[O:2].[C:3](-[C:4])(=[C:5])-[C:7].[I:6](=[O:8])(=[O:9])-[Cl:10]	1	16050
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[I:9].[c:1]-[N:2]	1	16062
+[C:1]-[C:2](-[C:3])-[N:4]-[C:5]>>[C:1]-[C:2](-[C:3])-[Br:6].[N:4]-[C:5]	1	16064
+[C:1]-[C:2]-[C:3](-[C:4]=[O:6])-[C:5]>>[C:3](-[C:4]=[O:6])-[C:5].[C:1]-[C:2]=[O:7]	1	16066
+[c:1]:1:[c:2]:[n:3]:[c:4](-[C:5](-[O:6])(-[C:7])-[c:8]):[s:9]:1>>[C:5](=[O:6])(-[C:7])-[c:8].[c:1]:1:[c:2]:[n:3]:[c:4]:[s:9]:1	1	16069
+[C:1](=[O:2])-[C:3](=[O:4])-[c:5]>>[C:1](=[O:2])-[C:3]-[c:5].[O:4]=[Se:7]=[O:6]	1	16071
+[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5](-[C:6])-[c:7]):[n:8]:[c:9]:1:[c:10]>>[N:5](-[C:6])-[c:7].[c:1]:1:[n:2]:[c:3]:[c:4](:[n:8]:[c:9]:1:[c:10])-[Cl:11]	1	16075
+[C:1]-[N:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Cl:7].[C:1]-[N:2]	1	16090
+[c:1](:[c:2])(:[c:4]:[n:3])-[Cl:5]>>[c:1](:[c:2]):[c:4]:[n:3].[Cl:5]-[Cl:6]	1	16091
+[c:1]:[c:2](-[N:3]=[C:4]-[O:6]):[s:5]>>[c:1]:[c:2](-[N:3]):[s:5].[C:4](-[O:6])(-[O:9]-[C:8]-[C:7])-[O:10]-[C:11]-[C:12]	1	16107
+[N:1](-[C:2])(-[C:3])-[C:5]#[N:4]>>[N:1](-[C:2])(-[C:3])-[C:7].[N:4]#[C:5]-[Br:6]	1	16110
+[N:1]-[C:8]=1-[N:2]-[C:3](=[O:4])-[N:5]=[C:6](-[C:7]=1)-[Cl:9]>>[N:1]-[C:8]=1-[N:2]-[C:3](=[O:4])-[N:5]-[C:6](-[C:7]=1)=[O:14].[Cl:9]-[P:11](=[O:10])(-[Cl:12])-[Cl:13]	1	16113
+[n:1]:[c:2](-[N:3]-[C:4]-1=[N:5]-[C:6](-[C:7]-[N:8]-1-[C:11](-[C:10])=[O:12])=[O:13]):[c:9]>>[C:4]-1=[N:5]-[C:6](-[C:7]-[N:8]-1-[C:11](-[C:10])=[O:12])=[O:13].[n:1]:[c:2](-[N:3]):[c:9]	1	16114
+[C:1]-[C:2]-1(-[C:3](=[O:4])-[O:5])-[C:6]-[C:7]-1>>[C:1]-[C:2](-[C:3](=[O:4])-[O:5])=[C:6].[C:7]-[S+:9](-[C:8])(-[C:10])=[O:11]	1	16130
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[c:7]):[n:8]>>[C:1]-[N:2].[N:5]-[c:6](:[c:7]):[n:8].[C:3](=[O:4])(-[n:13]:1:[c:9]:[n:10]:[c:11]:[c:12]:1)-[n:14]:2:[c:15]:[c:16]:[n:17]:[c:18]:2	1	16162
+[C:1](-[C:2])-[Cl:3]>>[C:1](-[C:2])-[O:7].[Cl:3]-[C:6]-[C:5]-[Cl:4]	1	16165
+[c:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[C:3]-1-[N:7]-2-[C:6]-[N:20]-3-[C:12]-[N:11]-1-[C:10]-[N:9](-[C:8]-2)-[C:19]-3.[O:4]=[C:14](-[O:13])-[C:15](-[F:16])(-[F:17])-[F:18].[c:1]:[c:2]:[c:5]	1	16172
+[O:1]=[C:2]-[c:3]:1:[c:4]:[n:5]:[c:6](:[n:7]):[c:8]:1>>[C:2]-1-[N:12]-2-[C:11]-[N:10]-3-[C:9]-[N:14](-[C:13]-2)-[C:15]-[N:16]-1-[C:17]-3.[O:1].[c:3]:1:[c:4]:[n:5]:[c:6](:[n:7]):[c:8]:1	1	16173
+[O:1]=[C:2](-[c:3])-[N:4](-[C:5])-[C:8]-[C:7](-[N:6])=[O:9]>>[N:4](-[C:5])-[C:8]-[C:7](-[N:6])=[O:9].[O:1]=[C:2](-[c:3])-[Cl:10]	1	16186
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:1:[n:9]>>[c:5](:[c:6])(:[c:7])-[B:16]-1-[O:15]-[C:14]-[C:12](-[C:11])(-[C:13])-[C:18]-[O:17]-1.[c:1]:1:[n:2]:[c:3]:[c:4](:[n:8]:1:[n:9])-[Br:10]	1	16231
+[c:1]:[c:2]:[c:3]:[n:4]>>[c:1]:[c:2](:[c:3]:[n:4])-[B:8]-1-[O:7]-[C:6]-[C:5]-[C:10]-[O:9]-1	1	16237
+[N:1]-[C:2](=[N:3]-[C:4])-[S:9].[c:5]:[c:6](-[N+:7](=[O:10])-[O-:11]):[c:8]>>[N:1]=[C:2](-[N:3]-[C:4])-[S:9].[c:5]:[c:6]:[c:8].[N+:7](=[O:10])(-[O-:11])-[O:12]	1	16239
+[c:1](-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[c:7](:[c:8]:1:[c:9]:[n:10]):[n:11]):[c:12]:[n:13]>>[c:4]:1(:[c:5]:[n:6]:[c:7](:[c:8]:1:[c:9]:[n:10]):[n:11])-[I:18].[c:1](-[C:2](=[O:3])-[N:16](-[O:15]-[C:14])-[C:17]):[c:12]:[n:13]	1	16246
+[N:1]-[C:3]-1(-[C:2])-[C:4]-[C:5]-1>>[N:1]-[C:3](-[C:2])=[O:6].[C:4](-[C:5])-[Mg+:7]	1	16250
+[C:1](-[C:2]#[C:3]-[C:4])-[O:5]>>[C:1]=[O:5].[C:2]#[C:3]-[C:4]	1	16264
+[c:1]-[O:2]-[C:3]-[C:4]#[C:5]-[C:6]>>[C:3](-[C:4]#[C:5]-[C:6])-[O:7].[c:1]-[O:2]	1	16265
+[C:1]-[Si:2](-[O:3]-[C:4]-[C:5]#[C:6])(-[c:7])-[c:8]>>[O:3]-[C:4]-[C:5]#[C:6].[C:1]-[Si:2](-[c:7])(-[c:8])-[Cl:9]	1	16266
+[c:1]:[c:2](-[C:3](-[C:4])(-[O:5])-[C:6](-[F:7])(-[F:8])-[F:9]):[c:10]>>[c:1]:[c:2](:[c:10])-[Br:11].[C:3](-[C:4])(=[O:5])-[C:6](-[F:7])(-[F:8])-[F:9]	1	16276
+[C:1](=[O:2])(-[C:3]-[C:4](=[O:5])-[c:6])-[O:7]>>[C:4](=[O:5])(-[c:6])-[O:9]-[C:8].[C:1](=[O:2])(-[C:3])-[O:7]	1	16280
+[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[N:7]-[O:8]>>[N:7]-[O:8].[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:9]	1	16296
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[O:7]):[c:8]:[n:9]>>[N:6]-[O:7].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:10]):[c:8]:[n:9]	1	16298
+[c:1]:[c:2](-[C:3](-[N:4]=[N+:8]=[N-:7])-[C:5]):[o:6]>>[c:1]:[c:2](-[C:3](-[C:5])-[O:23]):[o:6].[N:4](=[N+:8]=[N-:7])-[P:10](=[O:9])(-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2	1	16317
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[c:6](:[c:7]):[c:8])(-[C:9])-[C:10]>>[O:1]-[C:2](=[O:3])-[C:4]=[C:5](-[C:9])-[C:10].[c:6](:[c:7])(:[c:8])-[B:12](-[O:11])-[O:13]	1	16328
+[C:1]-[N:2]-[C:3](-[C:4]#[N:5])(-[C:6])-[C:7]>>[C:3](-[C:6])(-[C:7])=[O:12].[C:4](#[N:5])-[Si:9](-[C:8])(-[C:10])-[C:11].[C:1]-[N:2]	1	16332
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N:2].[C:3](=[O:4])(-[Cl:7])-[Cl:8]	1	16337
+[C:1]=[C:2]-[C:3](-[C:4](-[N:5])=[O:18])=[C:6]-[N:7]>>[C:1]=[C:2]-[C:3](-[C:4](-[O:17])=[O:18])=[C:6]-[N:7].[n:5]:1:[c:15]:[c:14]:[n:13](:[c:16]:1)-[C:20](-[n:8]:2:[c:9]:[c:10]:[n:11]:[c:12]:2)=[O:19]	1	16355
+[C:1]=[C:2]-[C:3](-[c:4]:1:[n:5]:[n:6]:[n:7]:[n:8]:1)=[C:9]-[N:10]>>[C:1]=[C:2]-[C:3](-[C:4]#[N:5])=[C:9]-[N:10].[N-:6]=[N+:7]=[N-:8]	1	16357
+[C:1]=[C:2]-[C:3](-[C:4]#[N:5])=[C:6]-[N:7]>>[C:1]=[C:2]-[C:3](-[C:4](-[N:5])=[O:8])=[C:6]-[N:7]	1	16358
+[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:[c:7]:1>>[O:1](-[c:2]:1:[c:3]:[c:7]:[c:6]:[c:5]:[c:4]:1)-[C:8]	1	16372
+[n:1]:[c:2]:[c:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[n:8]:1>>[n:1]:[c:2]:[c:3]-[C:4]#[C:5].[N:6](=[N+:7]=[N-:8])-[Si:10](-[C:9])(-[C:11])-[C:12]	1	16373
+[C:1]-[c:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2]#[C:3].[N-:4]=[N+:5]=[N:6]-[Si:8](-[C:7])(-[C:9])-[C:10]	1	16375
+[c:1]-[C:2]-1-[C:3](-[C:4]#[N:5])=[C:6](-[N:7])-[O:8]-[c:9]:[c:10]-1:[c:11]>>[O:8]-[c:9]:[c:10]:[c:11].[c:1]-[C:2]=[C:3](-[C:4]#[N:5])-[C:6]#[N:7]	1	16382
+[C:1](-[c:2])(=[C:3](-[C:4](=[O:5])-[N:6])-[c:7])-[O:8]>>[C:3](-[C:4](=[O:5])-[N:6])-[c:7].[C:1](-[c:2])(-[O:8])(-[O:11]-[C:10]-[C:9])-[O:12]-[C:13]-[C:14]	1	16404
+[N:1](-[C:2](-[C:3])-[C:5](-[N:4])=[O:6])=[N+:7]=[N-:8]>>[C:2](-[C:3])(-[C:5](-[N:4])=[O:6])-[I:9].[N-:1]=[N+:7]=[N-:8]	1	16407
+[C:1](-[C:2]-[C:3])=[O:4]>>[C:1](-[C:2](-[C:3])-[C:7](-[O:6]-[C:5])=[O:8])=[O:4]	1	16411
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+[N:1]#[C:2]-[c:3]:1:[n:4]:[c:5]:[c:6](:[c:7]:[c:8]:1-[Br:9])-[Br:10]>>[N-:1]=[C:2]=[C:3]-1-[N+:4](-[C:5]=[C:6](-[C:7]=[C:8]-1-[Br:9])-[Br:10])=[O:11]	1	16441
+[C:1](=[C:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7])-[C:8]>>[C:1](=[C:2](-[C:3](=[O:4])-[O:9])-[C:7])-[C:8].[N:5]-[c:6]	1	16446
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+[O:1]=[C:2](-[C:3]-1=[C:4](-[C:5])-[N:6]-[C:7](=[O:8])-[C:9](-[F:10])=[C:11]-1-[N:12]-[c:13])-[O:14]>>[O:1]=[C:2](-[C:3]-1=[C:4](-[C:5])-[N:6]-[C:7](=[O:8])-[C:9](-[F:10])=[C:11]-1-[Cl:15])-[O:14].[N:12]-[c:13]	1	16449
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+[O:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:15]):[s:6]:[c:7](-[n:8]:2:[c:9]:[n:10]:[c:11]:[c:12]:2:[c:13]):[c:14]:1>>[O:1]=[C:2]-1-[C:3](-[C:4](=[O:5])-[O:15])(-[S:6]-[C:7]=[C:14]-1)-[Cl:16].[n:8]:1:[c:9]:[n:10]:[c:11]:[c:12]:1:[c:13]	1	16478
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+[C:1]=[C:2]-[C:3]-[C:4](-[C:5]-[C:6]-[C:7](=[O:8])-[O:9])(-[C:10](=[O:11])-[C:12]=[C:13])-[c:14]>>[C:5]=[C:6]-[C:7](=[O:8])-[O:9].[C:1]=[C:2]-[C:3]-[C:4](-[C:10](=[O:11])-[C:12]=[C:13])-[c:14]	1	16542
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+[c:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[c:8]:[c:9]:1:2>>[C:1]=[C:2]-[Mg:11]-[Br:10].[N+:3](-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:[c:9]:1)(=[O:12])-[O-:13]	1	16563
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+[c:1]-[N:2](-[C:3])-[C:4]>>[C:3]=[O:5].[C:4]-[O:6].[c:1]-[N:2]	1	16649
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+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[c:7]-2:[c:8]:1-[C:9](=[O:10])-[N:11]-[C:12](=[O:13])-[N:14]-2>>[C:1]-[C:2](-[C:3]-[C:4](-[C:5])=[O:15])=[O:16].[N:6]-[C:7]-1=[C:8]-[C:9](=[O:10])-[N:11]-[C:12](=[O:13])-[N:14]-1	1	16792
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+[c:1]-[N:2](-[C:3](-[C:4])=[O:5])-[C:6]-1=[C:7](-[N:8])-[C:9]-[C:10]-1=[O:11]>>[c:1]-[N:2]-[C:6]-1=[C:7](-[N:8])-[C:9]-[C:10]-1=[O:11].[C:3](-[C:4])(=[O:5])-[O:15]-[C:13](-[C:12])=[O:14]	1	16824
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+[c:1]:[c:2](-[O:3]-[C:8](-[C:7])=[O:9]):[n+:4]:[c:5]:[c:6]>>[c:1]:[c:2]:[n+:4]:[c:5]:[c:6].[O:3](-[C:8](-[C:7])=[O:9])-[C:11](-[C:10])=[O:12]	1	16860
+[C:1]-[C:2](=[O:3])-[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:1:[n:9]>>[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:1:[n:9].[C:1]-[C:2](=[O:3])-[O:13]-[C:11](-[C:10])=[O:12]	1	16861
+[C:1](=[O:2])(-[C:3])-[c:4]>>[C:1](-[C:3])-[c:4].[O:2]=[C:9](-[O:8]-[C:6](-[C:5])=[O:7])-[C:10]	1	16864
+[c:1]-1:[c:2]-[C:3](=[C:4](-[O:5])-[c:6])-[C:7](=[O:8])-[N:9]-1-[C:10](-[C:11])=[O:12]>>[C:10](-[C:11])(=[O:12])-[O:16]-[C:14](-[C:13])=[O:15].[C:4](-[O:5])(-[c:6])(-[O:19]-[C:18]-[C:17])-[O:20]-[C:21]-[C:22].[c:1]-1:[c:2]-[C:3]-[C:7](=[O:8])-[N:9]-1	1	16869
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+[C:1]=[C:2]-[C:3]-[N:4]-[C:5](-[C:6])=[O:7]>>[C:5](-[C:6])(=[O:7])-[O:11]-[C:9](-[C:8])=[O:10].[C:1]=[C:2]-[C:3]-[N:4]	1	16973
+[c:1]-[C:2]=1-[C:3]-[C:4](=[O:5])-[N+:6](=[C:7]-[C:8]=1)-[O-:15]>>[O:5]=[C:13](-[O:12]-[C:10](-[C:9])=[O:11])-[C:14].[c:1]-[c:2]:1:[c:3]:[c:4]:[n+:6](:[c:7]:[c:8]:1)-[O-:15]	1	16997
+[N+:1]-1(-[C:2]=[C:3]-[C:4](-[c:5])=[C:6]-[C:7]-1=[O:8])-[O-:15]>>[O:8]=[C:13](-[O:12]-[C:10](-[C:9])=[O:11])-[C:14].[n+:1]:1(:[c:2]:[c:3]:[c:4](-[c:5]):[c:6]:[c:7]:1)-[O-:15]	1	16998
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:8]-[C:7]=[C:6]>>[C:1]-[C:2](=[O:3])-[O:12]-[C:10](-[C:9])=[O:11].[N:4](-[C:5])-[C:8]-[C:7]=[C:6]	1	17006
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+[C:1]-[C:2](=[O:3])-[N:4](-[c:5])-[c:6]>>[C:1]-[C:2](=[O:3])-[O:10]-[C:8](-[C:7])=[O:9].[N:4](-[c:5])-[c:6]	1	17016
+[C:1]-[C:2](=[C:3](-[c:4])-[C:5]=[O:8])-[O:7]-[c:6]>>[C:1]-[C:2](-[O:10]-[C:13](=[O:9])-[C:12])=[O:11].[C:3](-[c:4])-[C:5]=[O:8].[c:6]-[O:7]	1	17023
+[C:1]-[C:2](=[O:3])-[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[c:8]>>[C:1]-[C:2](=[O:3])-[O:13]-[C:11](-[C:10])=[O:12].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[c:8]	1	17039
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+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[C:1]-[C:2](=[O:3])-[O:13]-[C:11](-[C:10])=[O:12].[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1	1	17052
+[c:1]-[C:2]-1=[C:3]-[C:4]=[C:5](-[C:6])-[C:7](-[N+:8]-1-[O-:11])=[O:9]>>[O:9]=[C:16](-[C:10])-[O:15]-[C:13](-[C:12])=[O:14].[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]):[c:7]:[n+:8]:1-[O-:11]	1	17057
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[c:6](:[c:7]:[n:8]):[n:9])-[C:10]-1(-[Br:11])-[C:12](=[O:13])-[N:14]-[C:15]-1>>[C:1]-[C:2](=[O:3])-[O:19]-[C:17](-[C:16])=[O:18].[O:4]=[C:5]-[c:6](:[c:7]:[n:8]):[n:9].[C:10]-1(-[Br:11])-[C:12](=[O:13])-[N:14]-[C:15]-1	1	17060
+[C:1](=[O:2])-[O:7]-[C:5](=[N:4]-[c:3])-[C:6]>>[C:5](-[C:6])(-[O:11]-[C:9](-[C:8])=[O:10])=[O:12].[C:1](=[O:2])-[O:7].[c:3]-[N:4]	1	17067
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:6]:[s:7]>>[C:1]-[C:2](=[O:3])-[O:11]-[C:9](-[C:8])=[O:10].[N:4]-[c:5]:[c:6]:[s:7]	1	17070
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[C:1]-[C:2](=[O:3])-[O:12]-[C:10](-[C:9])=[O:11].[O:4]-[C:5]-[C:6](=[O:7])-[O:8]	1	17088
+[C:1]=[C:2]-[C:3]-[O:7]-[C:5](-[C:4])=[O:6]>>[C:4]-[C:5](=[O:6])-[O:11]-[C:9](-[C:8])=[O:10].[C:1]=[C:2]-[C:3]-[O:7]	1	17105
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]:[n:7]):[n:8]>>[C:1]-[C:2](=[O:3])-[O:12]-[C:10](-[C:9])=[O:11].[N:4]-[c:5](:[c:6]:[n:7]):[n:8]	1	17106
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[N:7]):[o:8]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[O:8].[C:6](#[N:7])-[Br:9]	1	17120
+[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7]>>[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[O:13]-[C:11](-[C:9](=[C:8])-[C:10])=[O:12].[O:6]-[C:7]	1	17127
+[C:1]-[C:2](-[C:3])(-[O:4]-[c:5])-[C:7](-[N:6])=[O:8]>>[C:1]-[C:2](-[C:3])(-[C:7](-[N:6])=[O:8])-[Br:9].[O:4]-[c:5]	1	17132
+[n:1]:[c:4]:1:[c:3](:[n:2]):[c:8](:[n:7]:[c:6]:[c:5]:1)-[C:9]#[C:10]-[C:11]>>[n:1]:[c:4]:1:[c:3](:[n:2]):[c:8](:[n:7]:[c:6]:[c:5]:1)-[Cl:12].[C:9]#[C:10]-[C:11]	1	17137
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:11].[C:6]-[N:10]-[C:8](-[O:7])=[N:9]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:11])-[I:12].[C:6]-[N:10]=[C:8](-[O:7])-[N:9]	1	17141
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+[C:1]-[C:2](-[C:3])(-[O:4])-[C:5](-[F:6])(-[F:7])-[F:8]>>[C:1]-[C:2](-[C:3])=[O:4].[C:5](-[F:6])(-[F:7])(-[F:8])-[Si:10](-[C:9])(-[C:11])-[C:12]	1	17176
+[N:1]-[C:2](-[C:3])(-[C:4])-[c:5]>>[N:1]-[C:7](-[C:2](-[C:3])(-[C:4])-[c:5])=[O:6]	1	17180
+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[C:7]-1>>[c:1]-[C:2](-[C:7]-[C:5](=[O:6])-[O:9]-[C:8])=[O:10].[N:3]-[N:4]	1	17188
+[C:1]-[N:2](-[C:3](-[C:4])(-[C:5])-[C:6](=[O:7])-[O:9])-[C:8]>>[C:3](-[C:4])(-[C:5])(-[C:6](=[O:7])-[O:9])-[Br:10].[C:1]-[N:2]-[C:8]	1	17197
+[c:1]-1:[c:2]-[O:3]-[C:4](-[C:5])(-[C:6])-[C:7](=[O:8])-[N:9]-1>>[C:4](-[C:5])(-[C:6])(-[C:7](=[O:8])-[O:12]-[C:11]-[C:10])-[Br:13].[c:1](:[c:2]-[O:3])-[N:9]	1	17201
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:6](:[n:5]):[n:7]:[c:8]:[c:9]:1):[c:10]>>[c:1]:[c:2](:[c:10])-[Br:11].[c:3]:1(:[c:4]:[c:6](:[n:5]):[n:7]:[c:8]:[c:9]:1)-[B:13](-[O:12])-[O:14]	1	17214
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]:[c:9]:[c:10]:1:[c:11](:[c:12]):[c:13](-[O:14]):[c:15](:[c:16]):[c:18](:[c:17]):[n:19]:1>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8]:[c:9]:[c:10]-1:[c:11](:[c:12])-[C:13](=[O:14])-[c:15](:[c:16]):[c:18](:[c:17])-[N:19]-1)-[O:20]	1	17237
+[C:1](-[C:2]-[Cl:4])-[O:3]>>[C:1]-1-[C:2]-[O:3]-1.[Cl:4]	1	17241
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+[C:1]-[C:2]-[N:3]-[S:4]>>[C:1]-[C:2]-[Br:5].[N:3]-[S:4]	1	17249
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+[n:1]:[n:2]:[c:3](-[C:4]#[C:5]-[C:6]):[c:7]>>[C:4]#[C:5]-[C:6].[n:1]:[n:2]:[c:3](:[c:7])-[Cl:8]	1	17271
+[c:1]-[N:2]=[C:3]-[N:4]>>[c:1]-[N:2].[C:3](-[N:4])=[O:5]	1	17272
+[C:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2]#[C:3]-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1-[N:10]-[C:15](-[O:14]-[C:11](-[C:12])(-[C:13])-[C:17])=[O:16]	1	17275
+[C:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2:[n:10]:1-[C:11]>>[C:1]-[C:2]#[C:3]-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1-[N:10]-[C:11]	1	17277
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[n:7]:1>>[N:3]=[C:4](-[C:5])-[O:9]-[C:8].[C:1]-[C:2](-[N:7]-[N:6])=[O:10]	1	17287
+[n:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:1-[C:6]>>[N:4]=[C:5](-[C:6])-[O:9]-[C:8]-[C:7].[N:1]-[C:2]-[C:3](-[O:11]-[C:10])-[O:12]-[C:13]	1	17288
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[C:1]-[C:2](=[N:3]-[O:4])-[N:7].[C:5](-[c:6])(=[O:8])-[Cl:9]	1	17289
+[N:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[n:6](-[c:7]):[c:8](-[O:9]-[C:10]-[C:11](=[O:12])-[C:13]):[c:14]:1>>[N:1]-[C:2](=[O:3])-[C:4]-1=[N:5]-[N:6](-[c:7])-[C:8](=[O:9])-[C:14]-1.[C:10](-[C:11](=[O:12])-[C:13])-[Br:15]	1	17291
+[c:1]-[N:5](-[C:3](-[C:2])=[O:4])-[C:6]-[C:7](=[O:8])-[C:9]>>[C:6](-[C:7](=[O:8])-[C:9])-[Br:10].[c:1]-[N:5]-[C:3](-[C:2])=[O:4]	1	17292
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6](-[C:7])=[O:10])-[C:8]=[O:9]>>[C:5](-[C:6](-[C:7])=[O:10])-[Br:11].[N:1]-[C:2](=[O:3])-[N:4]-[C:8]=[O:9]	1	17300
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:[o:7]:1>>[C:1]-[C:2](-[N:3])=[O:7].[C:4](-[C:5])(-[C:6]-[Cl:9])=[O:8]	1	17366
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5](:[o:6]:1):[c:7]):[c:8]>>[C:1]=[C:2]-[C:3]-[c:4](:[c:5](-[O:6]):[c:7]):[c:8]	1	17384
+[c:1]:[c:3](:[c:2])-[C:4](-[O:5])-[c:6](:[n:7]):[c:8]>>[c:1]:[c:3]:[c:2].[C:4](=[O:5])-[c:6](:[n:7]):[c:8]	1	17399
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2](-[N:8]-[c:7](:[c:4](-[C:3]):[c:5]):[c:6])=[O:9]	1	17401
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]:2:[c:6]:[n:7]:[n:8]:[c:9]:2:[n:10]:1)-[O:11]>>[C:1]-[C:2](-[N:10]-[c:9]:1:[c:5](-[C:4](-[N:3])=[O:11]):[c:6]:[n:7]:[n:8]:1)=[O:12]	1	17404
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:12]-[C:10](-[C:7](-[C:6])(-[C:8])-[C:9])=[O:11].[C:1]-[O:2]	1	17420
+[C:1]-[C:2](=[O:3])-[O:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:12]-[C:10](-[C:7](-[C:6])(-[C:8])-[C:9])=[O:11].[O:4]-[c:5]	1	17421
+[C:1]-[C:2]-[C:3]-[c:4]>>[C:1]-[C:2].[C:3](-[c:4])=[O:5]	1	17432
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5](=[O:6])-[N:7]-[C:8]-[C:9](-[N:10])=[O:11])-[c:12]>>[N:7]-[C:8]-[C:9](-[N:10])=[O:11].[N:1]-[C:2](=[O:3])-[N:4]-[c:12].[C:5](=[O:6])(-[O:20]-[c:19]:1:[c:18]:[c:17]:[c:16](-[N+:14](=[O:13])-[O-:15]):[c:23]:[c:22]:1)-[Cl:21]	1	17451
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]=[O:3].[O:4]-[S:6](-[N:5])(=[O:7])=[O:8]	1	17459
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[c:6](:[n:7]):[c:8]):[o:9]:1>>[C:1]-[C:2](-[C:3]-[N:4]-[C:5](-[c:6](:[n:7]):[c:8])=[O:9])=[O:10]	1	17475
+[C:1]-[C:2]-[S:3]-[C:5](-[C:4])=[O:6]>>[C:1]-[C:2]-[O:11]-[S:8](-[C:7])(=[O:9])=[O:10].[S:3]=[C:5](-[C:4])-[O:6]	1	17481
+[N:1]-[C:3](-[C:2])-[C:4]>>[C:2]-[C:3](-[C:4])=[O:5].[N:1]#[C:7]-[B:6]	1	17495
+[N:1]-[C:2](-[N:3]-[C:4])=[C:5](-[C:6])-[S:7]>>[N:3]-[C:4].[N:1]-[C:2](=[C:5](-[C:6])-[S:7])-[S:9]-[C:8]	1	17500
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[C:6]#[N:7]):[c:8]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[Br:9].[C:6]#[N:7]	1	17524
+[c:1]:[c:2](-[C:3](-[O:4])-[c:5]:[c:7]:[n:6]):[c:8]>>[c:1]:[c:2]:[c:8].[C:3](=[O:4])-[c:5]:[c:7]:[n:6]	1	17555
+[c:1](:[n:2]):[c:4](:[c:3])-[C:5](=[O:6])-[c:7]>>[c:1](:[n:2]):[c:4]:[c:3].[C:5](=[O:6])(-[c:7])-[N:10](-[O:9]-[C:8])-[C:11]	1	17565
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[O:6]-[C:7](=[O:8])-[C:9]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[Cl:10].[O:6]-[C:7](=[O:8])-[C:9]	1	17570
+[c:1]:[c:2]:1-[N:3]=[C:4]-[N:5](-[C:6](-[c:7]:1:[c:8])=[O:9])-[C:14]-[O:13]-[C:11](-[C:10])=[O:12]>>[C:10]-[C:11](=[O:12])-[O:13]-[C:14]-[Cl:15].[c:1]:[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6](:[c:7]:1:[c:8])-[O:9]	1	17571
+[c:1](:[c:2]-[c:3]:1:[c:4]:[n:5](:[n:6]:[n:7]:1)-[C:9]):[n:8]>>[c:1](:[c:2]-[C:3]#[C:4]):[n:8].[N:5](=[N+:6]=[N-:7])-[C:9]	1	17575
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-1=[C:6](-[c:7]:[c:9]:[n:8])-[C:10](=[O:11])-[N:12](-[C:13]-[C:14])-[c:15]:2:[n:16]:[c:17]:[c:18]:[n:19]:[c:20]-1:2>>[C:1]-[C:2](=[O:3])-[O:4]-[c:5]:1:[c:6](-[c:7]:[c:9]:[n:8]):[c:10](-[O:11]):[n:12]:[c:15]:2:[n:16]:[c:17]:[c:18]:[n:19]:[c:20]:1:2.[C:13](-[C:14])-[Br:21]	1	17578
+[C:1]-[C:2]-1-2-[O:3]-[C:4]-[C:5](-[C:6]-[O:7]-1)-[C:8]-[O:9]-2>>[C:4]-1-[C:5](-[C:6]-[O:7])-[C:8]-[O:10]-1.[C:1]-[C:2](=[O:3])-[O:9]	1	17585
+[N:1](-[c:2])-[c:3]:1:[c:4]:[c:5](-[C:6]):[c:7](-[O:8]):[c:9](-[C:10]):[c:11]:1>>[N:1](-[c:2])=[C:3]-1-[C:4]=[C:5](-[C:6])-[C:7](=[O:8])-[C:9](-[C:10])=[C:11]-1	1	17586
+[N:1](-[c:2])=[C:3]-1-[C:4]=[C:5](-[C:6])-[C:7]-[C:8](-[C:9])=[C:10]-1>>[C:3]-1(-[C:4]=[C:5](-[C:6])-[C:7]-[C:8](-[C:9])=[C:10]-1)=[O:11].[N:1]-[c:2]	1	17587
+[C:1]-1=[C:2]-[C:3](=[O:4])-[N:5](-[c:6](:[c:7]):[c:8])-[O:9]-1>>[C:1]-1=[C:2]-[C:3](=[O:4])-[N:5]-[O:9]-1.[c:6](:[c:7])(:[c:8])-[Cl:10]	1	17588
+[C:1]-[c:2]:1:[c:3](-[C:4]#[N:5]):[c:6]:2:[n:7]:[c:8](-[C:9]):[n:10]:[n:11]:2:[c:12](:[c:13]:1-[c:14])-[Cl:15]>>[C:1]-[C:2]=1-[C:3](-[C:4]#[N:5])=[C:6]-2-[N:7]=[C:8](-[C:9])-[N:10]-[N:11]-2-[C:12](-[C:13]=1-[c:14])=[O:20].[Cl:15]-[P:17](=[O:16])(-[Cl:18])-[Cl:19]	1	17589
+[C:1]-[C:2](=[C:3]-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2](=[C:3])-[C:7].[c:4](:[c:5])(:[c:6])-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15]	1	17593
+[C:1]-[C:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]=[O:3].[c:4](:[c:5])(:[c:6])-[I:7]	1	17616
+[C:1]-[C:2]-1-[S:3]-[C:4](=[O:5])-[N:6]-[C:7]-1=[O:8]>>[C:1]-[C:2](-[C:7](-[O:5]-[C:10]-[C:9])=[O:8])-[Cl:11].[S:3]=[C:4](-[N:6])-[N:12]	1	17629
+[C:1]=[C:2]-[S:3](=[O:4])(=[O:5])-[N:6]-[c:7]>>[N:6]-[c:7].[C:1](-[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:9])-[Cl:8]	1	17663
+[N:1]-[c:2].[c:3]-[N:4]=[C:5](-[C:6](=[C:7](-[O:8])-[C:9])-[C:11](-[N:10])=[O:12])-[N:13]-[S:14]>>[N+:1](-[c:2])(=[O:15])-[O-:16].[c:3]-[N:4]-[C:5](-[C:6](=[C:7](-[O:8])-[C:9])-[C:11](-[N:10])=[O:12])=[N:13]-[S:14]	1	17664
+[c:1]-[N:2]-[C:3](-[C:4](=[C:5](-[O:6])-[C:7])-[C:9](-[N:8])=[O:10])=[N:11]-[S:12]>>[C:3](-[C:4](=[C:5](-[O:6])-[C:7])-[C:9](-[N:8])=[O:10])(-[O:15]-[C:14]-[C:13])=[O:16].[c:1]-[N:2].[N:11]-[S:12]	1	17669
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5])-[N:6]=[O:7]>>[N:1]-[C:2](=[O:3])-[N:4]-[C:5].[N:6](=[O:7])-[O:8]	1	17671
+[n:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[C:10](-[C:9])=[O:11]):[n:6]:[c:7]:[c:8]:1>>[n:1]:[c:2]:1:[c:3]:[c:4](:[n:6]:[c:7]:[c:8]:1)-[Cl:12].[N:5]-[C:10](-[C:9])=[O:11]	1	17674
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[O:9]-[C:8]=[C:7]):[n:6]>>[c:1]:[c:2](-[N:3]):[n:6].[C:4](=[O:5])(-[O:9]-[C:8]=[C:7])-[Cl:10]	1	17675
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[N:1]-[C:2](=[O:3])-[O:10]-[C:8](=[C:7])-[C:9]	1	17676
+[C:1]-[N:2]-[C:7](-[N:3]-[c:4]:[c:6]:[n:5])=[S:8]>>[C:1]-[N:2].[N:3](-[c:4]:[c:6]:[n:5])=[C:7]=[S:8]	1	17686
+[N:1]-[C:2](=[O:3])-[C:4]-1=[C:5]-[C:6](=[C:7]=[N-:8])-[N+:9](-[C:10]=[C:11]-1)=[O:13]>>[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6]:[n+:9](:[c:10]:[c:11]:1)-[O-:13].[C:7](#[N:8])-[C:12]	1	17693
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](-[C:7]#[N:8]):[n:9]:[c:10]:[c:11]:1>>[N:1]-[C:2](=[O:3])-[C:4]-1=[C:5]-[C:6](=[C:7]=[N-:8])-[N+:9](-[C:10]=[C:11]-1)=[O:12]	1	17705
+[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[N:6])-[N:7](-[C:8])-[C:9]-1=[O:10]>>[N:1]-[C:9](-[N:7]-[C:8])=[O:10].[C:2](=[O:3])(-[C:4]-[C:5]#[N:6])-[O:13]-[C:12]-[C:11]	1	17707
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5](=[O:6])-[N:7](-[c:8]:[c:10]:[n:9])-[C:11]-1=[S:12]>>[C:1]-[N:2]-[C:11](-[N:7]-[c:8]:[c:10]:[n:9])=[S:12].[C:3](=[O:4])(-[C:5](=[O:6])-[Cl:16])-[O:15]-[C:14]-[C:13]	1	17710
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]#[C:7]-[C:8]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[Br:9].[C:6]#[C:7]-[C:8]	1	17714
+[c:1]:[c:2](-[C:3]-[C:4]):[n:5]:[c:6]:[c:7]>>[C:3](-[C:4])-[Mg:9]-[Cl:8].[c:1]:[c:2](:[n:5]:[c:6]:[c:7])-[Cl:10]	1	17724
+[n:1]:[c:2](-[C:3]-1(-[N:4])-[C:5]-[C:6]-1):[c:7]:[s:8]>>[n:1]:[c:2](-[C:3]#[N:4]):[c:7]:[s:8].[C:5](-[C:6])-[Mg+:9]	1	17737
+[C:1]-[N:2]-[C:3]-1=[C:4](-[C:5](=[O:6])-[C:7]-1=[O:8])-[O:9]>>[C:1]-[N:2].[C:3]-1(=[C:4](-[C:5](=[O:6])-[C:7]-1=[O:8])-[O:9])-[O:12]-[C:11]-[C:10]	1	17760
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8])-[Br:10]	1	17772
+[N:1](-[C:2]=[O:3])-[C:5](=[N:4])-[N:6]-[C:7]>>[N:6]-[C:7].[N:1](-[C:2]=[O:3])-[C:5](=[N:4])-[Cl:8]	1	17774
+[O:1]-[C:2]-[C:3](=[C:4](-[C:5])-[Cl:9])-[C:7](-[N:6])=[O:8]>>[C:2](-[C:3](=[C:4](-[C:5])-[Cl:9])-[C:7](-[N:6])=[O:8])-[Br:10].[O:1]	1	17796
+[c:1]-[C:2]-[O:3]-[C:4](=[C:5](-[Cl:6])-[C:7])-[C:8]>>[O:3]-[C:4](=[C:5](-[Cl:6])-[C:7])-[C:8].[c:1]-[C:2]-[O:9]	1	17797
+[C:1]-[N:2]-[C:3]-[C:4]-[C:5]-[O:6]-[c:7]>>[C:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-1.[O:6]-[c:7]	1	17802
+[C:1]-[C:2]-1=[C:3](-[S:4]-[C:5])-[C:6]=[N:7]-[N:8]-[C:9]-1=[O:10]>>[S:4]-[C:5].[C:1]-[C:2]-1=[C:3](-[C:6]=[N:7]-[N:8]-[C:9]-1=[O:10])-[Cl:11]	1	17809
+[C:1]-[C:2]-[C:3]-[B:4](-[O:5])-[O:6]>>[B:4](-[O:5])-[O:6].[C:1]-[C:2]=[C:3]	1	17816
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3]:1(:[c:4]:[c:5]:[c:6]:[n:7]:1)-[B:14]-2-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-2)(-[C:17])-[C:18]	1	17842
+[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](-[c:6]):[n:7]:[n:8]:1-[C:9]>>[N:7]-[N:8]-[C:9].[C:1]-[C:2](-[C:3](-[C:4])-[C:5](-[c:6])=[O:11])=[O:10]	1	17851
+[C:1]-[N:2](-[N:3]-[C:4]=[O:5])-[C:6](=[O:7])-[c:8]>>[C:1]-[N:2]-[N:3]-[C:4]=[O:5].[C:6](=[O:7])(-[c:8])-[Cl:9]	1	17853
+[O:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[O:1]-[C:2](=[O:3])-[Cl:10].[N:4](-[S:5])-[C:7](-[C:6])(-[C:8])-[C:9]	1	17862
+[C:1]-1=[N:2]-[N:3]-[C:4](=[O:5])-[N:6]-1-[C:7]-[c:8]>>[C:7](-[c:8])-[Br:9].[C:1]-1=[N:2]-[N:3]-[C:4](=[O:5])-[N:6]-1	1	17870
+[c:1](:[c:2]-[O:3]):[n:6].[C:4]-[O:5]>>[c:1](:[c:2]-[O:3]-[C:8](-[O:5]-[C:4])(-[C:7])-[C:9]):[n:6]	1	17873
+[n:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:1>>[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12].[n:1]:1:[c:2]:[n:3]:[c:4](:[c:8]:1)-[I:9]	1	17876
+[c:1](:[n:2]):[c:3]-[c:4]:1:[n:5]:[c:6]:2:[c:7](:[c:8]:[c:9]:[n:10]:[c:11]:2):[n:12]:1-[c:13]>>[c:1](:[n:2]):[c:3]-[C:4](-[N:5]-[c:6]:1:[c:7](:[c:8]:[c:9]:[n:10]:[c:11]:1)-[N:12]-[c:13])=[O:14]	1	17916
+[c:1]:[c:2](-[N:3]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]):[c:4]>>[C:5]-[C:6](-[C:7])(-[C:8])-[O:12].[c:1]:[c:2](:[c:4])-[C:10](-[O:9])=[O:11].[N:3](=[N+:14]=[N-:13])-[P:15](=[O:16])(-[O:17]-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1)-[O:24]-[c:25]:2:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:2	1	17923
+[N:1]-[O:2]-[C:3]-[C:4](-[C:5])(-[C:6])-[O:7]>>[C:3]-[C:4](-[C:5])(-[C:6])-[O:7].[N:1]-[O:2]	1	17928
+[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5]-[C:23](-[O:22]-[C:19](-[C:18])(-[C:20])-[C:21])=[O:24]):[s:6]:1>>[C:18]-[C:19](-[C:20])(-[C:21])-[O:22].[c:1]:1:[n:2]:[c:3]:[c:4](:[s:6]:1)-[C:23](=[O:24])-[O:25].[N:5](=[N+:27]=[N-:26])-[P:28](-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)(=[O:29])-[c:30]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2	1	17934
+[c:1]-[C:2](-[C:3]-[O:4])-[O:5]>>[O:4]-[C:7](-[C:6])(-[C:8])-[C:9].[O:5].[c:1]-[C:2]=[C:3]	1	17942
+[N:1](-[c:2]:1:[c:3]:[c:4]:[n:5]:[c:6]:[c:7]:1)-[C:26](-[O:25]-[C:22](-[C:21])(-[C:23])-[C:24])=[O:27]>>[C:21]-[C:22](-[C:23])(-[C:24])-[O:25].[c:2]:1(:[c:3]:[c:4]:[n:5]:[c:6]:[c:7]:1)-[C:26](=[O:27])-[O:28].[N:1](=[N+:30]=[N-:29])-[P:31](=[O:8])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2	1	17953
+[n:1]:[c:3]:1:[c:2]:[c:8]:[n:7]:[c:5](:[c:4]:1)-[N:6]-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]>>[C:9]-[C:10](-[C:11])(-[C:12])-[O:13].[n:1]:[c:3]:1:[c:2]:[c:8]:[n:7]:[c:5](:[c:4]:1)-[C:14](=[O:15])-[O:20].[N:6](=[N+:22]=[N-:21])-[P:23](=[O:24])(-[c:25]:1:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:1)-[c:31]:2:[c:19]:[c:18]:[c:17]:[c:16]:[c:32]:2	1	17958
+[c:1]:[c:2](:[n:3]:[c:4](-[N:5]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]):[c:13]):[c:14]>>[O:8]-[C:9](-[C:10])(-[C:11])-[C:12].[c:1]:[c:2](:[n:3]:[c:4](-[C:6](=[O:7])-[O:30]):[c:13]):[c:14].[N:5](=[N+:15]=[N-:31])-[P:16](=[O:17])(-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1)-[c:24]:2:[c:25]:[c:26]:[c:27]:[c:28]:[c:29]:2	1	17963
+[N:1](-[c:2](:[c:3]):[c:4])-[C:23](-[O:22]-[C:19](-[C:18])(-[C:20])-[C:21])=[O:24]>>[C:18]-[C:19](-[C:20])(-[C:21])-[O:25].[c:2](:[c:3])(:[c:4])-[C:23](-[O:22])=[O:24].[N:1](=[N+:27]=[N-:26])-[P:28](=[O:5])(-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2	1	17969
+[C:1]-1-[C:2]-[C:3]-1-[N:4]-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[O:7]-[C:8](-[C:9])(-[C:10])-[C:11].[C:1]-1-[C:2]-[C:3]-1-[C:5](=[O:6])-[O:22].[N:4](=[N+:24]=[N-:23])-[P:25](-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)(=[O:26])-[c:27]:2:[c:15]:[c:14]:[c:13]:[c:12]:[c:28]:2	1	17980
+[O:1]=[C:2](-[c:3](:[c:4]):[s:5])-[O:6]>>[O:6]-[C:8](-[C:7])(-[C:9])-[C:10].[O:1]=[C:2]-[c:3](:[c:4]):[s:5]	1	17989
+[c:1]:[c:2](-[O:3]):[n:4]:[c:5]:[c:6]>>[O:3]-[C:9](-[C:8])(-[C:10])-[C:11].[c:1]:[c:2](:[n:4]:[c:5]:[c:6])-[Cl:7]	1	17992
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[C:8]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:10](=[N:9])-[C:11](-[Cl:12])(-[Cl:13])-[Cl:14].[C:6](=[O:7])(-[C:8])-[O:15]	1	17993
+[C:1](-[C:2](=[O:3])-[O:11])-[N:4](-[C:5])-[C:9](-[c:6]:[c:7]:[n:8])=[O:10]>>[C:1](-[C:2](=[O:3])-[O:11])-[N:4]-[C:5].[c:6](:[c:7]:[n:8])-[C:9](=[O:10])-[O:12]	1	17999
+[C:1]-[C:2]-[N:3]-1-[C:4]=[C:5]-[C:6]-[N:7]-[C:8]-1=[O:9]>>[C:1]-[C:2]-[O:14]-[S:11](-[C:10])(=[O:12])=[O:13].[N:3]-1-[C:4]=[C:5]-[C:6]-[N:7]-[C:8]-1=[O:9]	1	18001
+[C:1](-[N:2]-[C:3](-[C:4])-[c:5])-[C:6](=[O:7])-[O:8]>>[C:1](-[N:2])-[C:6](=[O:7])-[O:8].[C:3](-[C:4])(-[c:5])=[O:9]	1	18026
+[O:1]=[C:2](-[C:3])-[N:4]-[C:5](=[N:6]-[C:7])-[N:8]>>[O:1]=[C:2](-[C:3])-[O:11]-[C:10]-[C:9].[N:4]=[C:5](-[N:6]-[C:7])-[N:8]	1	18041
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1:2>>[C:1]-[C:2](-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14])=[O:16].[N:3]-[N:4]-[c:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1	1	18056
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]-[C:6]=[C:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[C:5]-[C:6]=[C:7])-[O:8]	1	18063
+[O:1]-[C:2](=[O:3])-[C:4]-1(-[C:5]-[c:6])-[C:7]-[C:8]-1>>[O:1]-[C:2](=[O:3])-[C:4]-1-[C:7]-[C:8]-1.[C:5](-[c:6])-[Br:9]	1	18070
+[C:1]-[C:2]-[N:3](-[C:4])-[C:6](-[N:5])=[O:7]>>[N:3](-[C:4])-[C:6](-[N:5])=[O:7].[C:1]-[C:2]-[I:8]	1	18075
+[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5](-[Si:6](-[C:7])(-[C:8])-[C:9]):[n:10]:1-[C:11]-[C:12](=[O:13])-[O:14]>>[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5](-[Si:6](-[C:7])(-[C:8])-[C:9]):[n:10]:1.[C:11](-[C:12](=[O:13])-[O:14])-[Br:15]	1	18114
+[O:1]=[C:2](-[C:3]-[N:4]-1-[C:5](=[O:6])-[C:7]=[C:8](-[c:9])-[C:10]-2=[C:11]-1-[C:12]-[C:13]-[C:14]-2=[O:15])-[O:16]>>[O:1]=[C:2](-[C:3]-[Br:17])-[O:16].[n:4]:1:[c:5](-[O:6]):[c:7]:[c:8](-[c:9]):[c:10]-2:[c:11]:1-[C:12]-[C:13]-[C:14]-2=[O:15]	1	18117
+[c:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6](-[C:7]-[C:8](=[O:9])-[O:10])-[C:11]=[C:12]-1-[Cl:13]>>[C:7](-[C:8](=[O:9])-[O:10])-[Br:14].[c:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[n:6]:[c:11]:[c:12]:1-[Cl:13]	1	18119
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])-[C:7](=[O:8])-[N:9]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:10].[C:5](-[C:6])-[C:7](=[O:8])-[N:9]	1	18126
+[c:1](:[c:2]-[O:3]-[C:4]-[C:5](=[O:6])-[O:7]):[s:8]>>[C:4](-[C:5](=[O:6])-[O:7])-[Br:9].[c:1](:[c:2]-[O:3]):[s:8]	1	18138
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-1-[C:6]=[C:7](-[C:8](=[O:9])-[O:10])-[C:11](-[N:12])=[C:13]-[C:14]-1=[O:15]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:16].[n:5]:1:[c:6]:[c:7](-[C:8](=[O:9])-[O:10]):[c:11](-[N:12]):[c:13]:[c:14]:1-[O:15]	1	18147
+[C:1]-[N:2](-[C:3]-[C:4](=[O:5])-[O:6])-[C:7]-[C:8](=[O:9])-[O:10]>>[C:7](-[C:8](=[O:9])-[O:10])-[Br:11].[C:1]-[N:2]-[C:3]-[C:4](=[O:5])-[O:6]	1	18151
+[C:1]-[C:2](-[C:10]-[C:3](-[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[O:9])=[O:12])=[O:11]>>[C:1]-[C:2](-[C:10]-[C:3](=[O:12])-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:11].[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[O:9]	1	18170
+[C:1]-[C:2](-[O:7]-[N:6]=[C:4](-[N:3])-[C:5](=[O:8])-[O:9])=[O:10]>>[C:1]-[C:2](=[O:10])-[O:11].[N:3]=[C:4](-[C:5](=[O:8])-[O:9])-[N:6]-[O:7]	1	18181
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5](=[O:8])-[O:9]):[n:6]:[o:7]:1>>[C:1]-[C:2](-[O:7]-[N:6]=[C:4](-[N:3])-[C:5](=[O:8])-[O:9])=[O:10]	1	18185
+[c:1]:1:[c:2](-[C:3]-2-[C:4]-[C:5]-2):[c:6]:[n:7]:[o:8]:1>>[C:3]-1(-[C:4]-[C:5]-1)-[B:18]-2-[O:9]-[C:10](-[C:11])(-[C:12])-[C:15](-[C:14])(-[C:16])-[O:17]-2.[c:1]:1:[c:2](:[c:6]:[n:7]:[o:8]:1)-[I:13]	1	18201
+[c:1]-[C:2]-1=[N:3]-[c:4]:[c:5]-[N:6]-[C:7](=[O:8])-[C:9]-1>>[c:1]-[C:2](-[C:9]-[C:7](=[O:8])-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:15].[N:3]-[c:4]:[c:5]-[N:6]	1	18202
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[c:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17].[N:5](-[C:6])-[c:7]	1	18209
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:1]-[N:2]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7].[C:3](-[N:9])=[N:10]	1	18211
+[C:1]-[C:2]-[C:3]-[C:4]#[N:5]>>[C:1]-[C:2]=[C:3]-[C:4]#[N:5]	1	18216
+[C:1]-[C:2]=[C:3]-[C:4]#[N:5]>>[C:1]-[C:2]=[O:14].[C:3](-[C:4]#[N:5])-[P:9](-[O:8]-[C:7]-[C:6])(=[O:10])-[O:11]-[C:12]-[C:13]	1	18219
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[c:8]:[n:9]:2):[c:10](-[O:11]):[n:12]:1>>[C:1]-[C:2](-[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[c:8]:[n:9]:1)-[C:10](=[O:11])-[N:12])=[O:13]	1	18224
+[C:1](-[N:2]-[C:3](=[O:4])-[C:5]=[N:6])-[C:7](=[O:8])-[O:9]>>[C:1](-[N:2])-[C:7](=[O:8])-[O:9].[C:3](=[O:4])(-[C:5]=[N:6])-[O:10]	1	18227
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[c:6]:[c:8]:[n:7]):[o:9]:1>>[C:1]-[C:2](-[N:3]-[C:4]-[C:5](-[c:6]:[c:8]:[n:7])=[O:10])=[O:9]	1	18241
+[C:1]-[C:2](-[C:3])-[N:4]-[C:5](=[O:6])-[O:7]-[C:8]>>[C:1]-[C:2](-[C:3])-[C:5](=[O:6])-[O:9].[O:7]-[C:8].[N:4](=[N+:11]=[N-:10])-[P:12](=[O:13])(-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1)-[c:20]:2:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:2	1	18271
+[c:1]:[c:2](-[C:3]-1=[N:4]-[C:5](=[O:6])-[c:7]:[c:8]-[S:9]-1):[n:10]>>[c:1]:[c:2](-[C:3]#[N:4]):[n:10].[C:5](-[O:6])(-[c:7]:[c:8]-[S:9])=[O:11]	1	18277
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6](=[C:7]-[C:8])-[C:10](-[N:9])=[O:11]>>[N:5]-[C:6](=[C:7]-[C:8])-[C:10](-[N:9])=[O:11].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:12]	1	18295
+[N:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6]=[O:7]):[s:8]:1>>[N:1]-[C:2](-[N:3])=[S:8].[C:4](-[C:5](-[C:6]=[O:7])-[Br:10])=[O:9]	1	18308
+[N:1]-[C:2]>>[N:1]-[C:2]-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]	1	18311
+[n:1]:[c:2](-[N:3](-[C:4])-[C:5]-[C:6]):[n:7]>>[C:5](-[C:6])-[Br:8].[n:1]:[c:2](-[N:3]-[C:4]):[n:7]	1	18314
+[c:1]-[C:2](-[C:3])-[O:4]>>[c:1]-[C:2]=[O:4].[C:3]-[Mg:6]-[Cl:5]	1	18319
+[C:1]-[C:2](=[O:3])-[O:5]-[C:4]>>[C:4]-[O:5].[C:1]-[C:2](=[O:3])-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9]	1	18336
+[N:1]-[c:2]>>[N:1](-[c:2])(-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9])-[C:10](=[O:11])-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16]	1	18386
+[N:1]-[c:2](:[n:3]):[c:4]>>[N:1](-[c:2](:[n:3]):[c:4])(-[C:5](=[O:6])-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	18388
+[n:1]:[c:2]:[c:3](-[N:4]):[n:5]>>[n:1]:[c:2]:[c:3](-[N:4](-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12])-[C:13](=[O:14])-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19]):[n:5]	1	18389
+[c:1]:[c:2](-[N:3]):[n:4]>>[c:1]:[c:2](-[N:3](-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11])-[C:12](=[O:13])-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18]):[n:4]	1	18393
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5]:2:[c:6]:[c:7]:[c:8]:[s:9]:2):[n:10](:[n:11]):[c:12]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[n:10](:[n:11]):[c:12]:1)-[Br:13].[c:5]:1(:[c:6]:[c:7]:[c:8]:[s:9]:1)-[B:15](-[O:14])-[O:16]	1	18410
+[C:1]-[N:2]-[c:3]:[c:6](:[n:4]):[n:5]>>[C:1]-[N:2](-[c:3]:[c:6](:[n:4]):[n:5])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	1	18432
+[C:1]-[N:2]-[c:3]>>[C:1]-[O:4].[N:2]-[c:3]	1	18452
+[c:1]:1:[c:2]:[c:3](-[O:4]-[c:5]):[n:6]:[c:7](:[c:8]):[n:9]:1>>[c:1]:1:[c:2]:[c:3](:[n:6]:[c:7](:[c:8]):[n:9]:1)-[Cl:10].[O:4]-[c:5]	1	18474
+[C:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[c:6](:[c:7](:[o:8]:1):[c:9]):[c:10]>>[C:1]-[C:2]-[O:11].[S:3]=[C:4]-1-[N:5]-[c:6](:[c:7](-[O:8]-1):[c:9]):[c:10]	1	18481
+[C:1]-[C:2]-[C:3](-[C:4]#[N:5])(-[c:6](:[n:7]):[c:8])-[C:9]-[C:10]>>[C:1]-[C:2]-[Cl:11].[C:9](-[C:10])-[Cl:12].[C:3](-[C:4]#[N:5])-[c:6](:[n:7]):[c:8]	1	18487
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:1]-[N:2](-[C:3])-[C:10](=[O:11])-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16].[C:4](=[O:5])(-[C:6])-[O:9]-[C:8]-[C:7]	1	18500
+[S:1]-[N:2]-[c:3](:[c:4]:[s:5]):[n:6]>>[S:1]-[N:2](-[c:3](:[c:4]:[s:5]):[n:6])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	1	18532
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[C:1]-[C:2](-[N:3]-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])=[O:11]	1	18539
+[c:1]-[N:4]-[C:3](-[N:2])=[O:5]>>[c:1]-[N:4](-[C:3](-[N:2])=[O:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	1	18540
+[O:1]=[C:2]-[N:3]-[C:4]>>[O:1]=[C:2]-[N:3](-[C:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]	1	18541
+[N:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[N:1]-[O:2].[C:3](=[O:4])(-[c:5])-[Cl:6]	1	18567
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[o:10]:1>>[C:1]-[C:2](-[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[O:10])=[O:11]	1	18606
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6](=[C:7]-[C:8])-[C:9]):[c:10]:1>>[C:5](-[C:6](=[C:7]-[C:8])-[C:9])#[C:10].[C:1]-[C:2]=[N:3]-[O:4]	1	18643
+[c:1]:1:[n:2]:[c:3]:[n:4]:[n:5]:1-[C:6]-[C:7]>>[C:6](-[C:7])-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11].[c:1]:1:[n:2]:[c:3]:[n:4]:[n:5]:1	1	18653
+[N:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	1	18656
+[S:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]:[n:7]:1)-[C:8])-[C:9]>>[C:4](-[C:5](=[C:6]-[N:11](-[C:10])-[C:12])-[C:8])(-[C:9])=[O:13].[S:1]-[C:2](=[N:3])-[N:7]	1	18666
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[n:8]>>[N:5](-[C:6])-[C:7].[n:1]:[c:2](-[C:3](-[Cl:9])(-[Cl:10])-[Cl:11]):[n:8].[O:4]=[C:13](-[O:12])-[O:14]	1	18671
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[n:8]>>[N:5](-[C:6])-[C:7].[n:1]:[c:2](-[C:3](-[Cl:9])(-[Cl:10])-[Cl:11]):[n:8].[O:4]	1	18672
+[C:1]-[C:3](-[C:2])=[O:4]>>[C:1]-[C:3](-[C:2])(-[O:4]-[C:7])-[O:6]-[C:5]	1	18694
+[C:1]-[N:3](-[C:2])-[c:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1:[n:10]>>[C:1]-[N:3]-[C:2].[c:4]:1(:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1:[n:10])-[O:11]	1	18716
+[N:1]-[C:3](=[O:2])-[C:4](-[F:5])(-[F:6])-[F:7]>>[N:1]-[C:3](=[O:2])-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11].[C:4](-[F:5])(-[F:6])(-[F:7])-[C:14](=[O:13])-[O:15]	1	18726
+[C:1]-[C:2]=1-[N:3]-[O:4]-[C:5](=[O:6])-[N:7]=1>>[C:1]-[C:2]#[N:7].[N:3]-[O:4].[C:5](=[O:6])(-[O:8])-[O:9]	1	18741
+[N:1](-[C:2])-[C:5](-[C:4]=[C:3])-[C:6](-[N:7])=[O:8]>>[N:1](-[C:2])(-[C:5](-[C:4]=[C:3])-[C:6](-[N:7])=[O:8])-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]	1	18824
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[c:9](:[s:8]):[c:10]:2:[n:11]:1-[C:12]>>[c:4]:1(:[c:5]:[n:6]:[c:7]:[c:9](:[s:8]):[c:10]:1-[N:11]-[C:12])-[N:13].[C:1]-[C:2](-[N:3])=[O:14]	1	18837
+[n:1]:[c:2](-[C:3]-1=[N:4]-[O:5]-[C:6](-[c:7])(-[C:8](-[F:9])(-[F:10])-[F:11])-[C:12]-1):[c:13]>>[n:1]:[c:2](-[C:3]=[N:4]-[O:5]):[c:13].[C:6](-[c:7])(-[C:8](-[F:9])(-[F:10])-[F:11])=[C:12]	1	18866
+[C:1]-[N:3](-[C:2])-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[n:11]:1:[c:10]:[c:9]>>[C:1]-[N:3]-[C:2].[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:11]:1:[c:10]:[c:9])-[Cl:12]	1	18894
+[C:1]-[C:2](=[C:3])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:22].[C:3]-[P+:7](-[c:6]:1:[c:5]:[c:24]:[c:23]:[c:21]:[c:20]:1)(-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3	1	18928
+[C:1]-[C:2]-1-[C:3]-[O:4]-1>>[C:1]-[C:2]=[C:3].[O:4]-[O:5]	1	18944
+[N:1]-[C:2](-[C:3])(-[C:4])-[C:5]>>[C:2](-[C:3])(-[C:4])(-[C:5])-[C:19](=[O:18])-[O:20].[N:1](=[N+:22]=[N-:21])-[P:23](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)=[O:24]	1	18953
+[N:1]-[C:2](-[N:3])=[S:4]>>[N:1]-[C:2](-[N:3]-[C:6](=[O:5])-[O:7]-[C:8]-[C:9]-1-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2-[c:16]:3:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]-1:3)=[S:4]	1	18986
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]-[C:6](-[N:7])=[O:8]>>[N:3](-[C:4])-[C:5]-[C:6](-[N:7])=[O:8].[c:1]-[C:2]-[Cl:9]	1	18991
+[c:1]:[c:2](-[c:3]:1:[c:4]:[s:5]:[c:6]:[n:7]:1):[c:8]>>[c:3]:1(:[c:4]:[s:5]:[c:6]:[n:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	1	19001
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[C:5](-[C:6](=[O:7])-[O:8])=[N:9]-[O:10]-1>>[C:1]-[C:2](-[C:3])=[C:4].[C:5](-[C:6](=[O:7])-[O:8])(=[N:9]-[O:10])-[Cl:11]	1	19002
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[C:5](-[C:6])=[N:7]-[O:8]-1>>[C:1]-[C:2](-[C:3])=[C:4].[C:5](-[C:6])(=[N:7]-[O:8])-[Cl:9]	1	19003
+[c:1]-[C:2](=[C:3](-[C:4])-[C:5])-[c:6](:[c:7]):[c:8]>>[c:1]-[C:2](=[C:3](-[C:4])-[C:5])-[Br:9].[c:6](:[c:7])(:[c:8])-[B:11](-[O:10])-[O:12]	1	19004
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[C:5]-1-[C:6](=[O:7])-[O:8]>>[C:4]-[S+:11](=[O:9])(-[C:10])-[C:12].[C:1]-[C:2](-[C:3])=[C:5]-[C:6](=[O:7])-[O:8]	1	19006
+[C:1]-[C:2](-[C:3])-[O:4]-[c:5]:[c:6]:[n:7]>>[C:1]-[C:2](-[C:3])-[I:8].[O:4]-[c:5]:[c:6]:[n:7]	1	19009
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:[s:7]:1>>[C:1]-[C:2](-[N:3])=[S:7].[C:4](-[C:5])(-[C:6]-[Cl:9])=[O:8]	1	19016
+[C:1]-[S:2]-[c:3](:[c:4]:[n:5]):[c:6]>>[C:1]-[S:2]-[S:9]-[C:8].[c:3](:[c:4]:[n:5])(:[c:6])-[Br:7]	1	19027
+[c:1]:[c:2](-[c:3](:[c:4]):[c:9]:1:[c:5]:[n:6]:[n:7]:[c:8]:1):[c:10]>>[c:3](:[c:4])(:[c:9]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)-[Br:11].[c:1]:[c:2](:[c:10])-[B:13](-[O:12])-[O:14]	1	19030
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[O:2]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:15]:[c:14]:1)(=[O:12])=[O:13].[C:3](=[O:4])(-[C:5])-[O:16]	1	19093
+[N:1]-[C:2](-[C:3]-1-[C:4]-[C:5]-[N:6]-[C:7]-1)=[O:8]>>[N:1]-[C:2](-[C:3]=[C:4])=[O:8].[C:5](-[N:6]-[C:7]-[Si:13](-[C:9])(-[C:10])-[C:14])-[O:12]-[C:11]	1	19116
+[o:1]:[c:2](-[C:3]-[N:4](-[C:5](=[O:6])-[N:7])-[c:9]:[c:8]:[s:10]):[n:11]>>[o:1]:[c:2](-[C:3]-[Cl:12]):[n:11].[N:4](-[C:5](=[O:6])-[N:7])-[c:9]:[c:8]:[s:10]	1	19119
+[N:1]-1-[C:2](=[O:3])-[N:4](-[C:5])-[C:6](=[O:7])-[c:8](:[c:9]-1):[s:10]>>[N:1](-[C:2](=[O:3])-[N:4]-[C:5])-[c:9]:[c:8](-[C:6](=[O:7])-[O:12]-[C:11]):[s:10]	1	19133
+[C:1]-[n:2]:1:[n:3]:[c:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[n:9]:[c:10]:1:2>>[C:1]-[N:2]-[N:3].[C:4](-[c:5]:1:[c:6]:[n:7]:[c:8]:[n:9]:[c:10]:1-[Cl:12])=[O:11]	1	19143
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[n:7]:[c:8]:[c:9]):[c:10]):[c:11]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:11]:1)-[I:12].[c:6](:[n:7]:[c:8]:[c:9])(:[c:10])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21]	1	19157
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:7](-[C:8])-[C:9]>>[C:7](-[C:8])(-[C:9])-[O:10].[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1	1	19163
+[O:1]=[C:2](-[N:3]-[c:4](:[c:5]):[c:6])-[O:7]-[C:8]>>[O:7]-[C:8].[O:1]=[C:2](-[c:4](:[c:5]):[c:6])-[O:9].[N:3](=[N+:11]=[N-:10])-[P:12](=[O:13])(-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1)-[c:20]:2:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:2	1	19177
+[c:1](:[c:2](-[O:3]-[C:4]):[c:5]:[c:6]:[n:8]):[n:7]>>[O:3]-[C:4].[c:1](:[c:2](:[c:5]:[c:6]:[n:8])-[O:9]):[n:7]	1	19191
+[C:1]-[C:2](-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1)-[C:8]>>[C:1]-[C:2](-[C:8])-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1	1	19204
+[N:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[C:6](=[C:7]-[c:8])-[S:9]-1>>[C:7](-[c:8])=[O:10].[N:1]-[C:2]-1=[N:3]-[C:4](=[O:5])-[C:6]-[S:9]-1	1	19218
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[N:6](-[C:7])-[c:10]:[c:8]:[n:9]):[c:11]:1>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:11]:1)-[Cl:12].[N:6](-[C:7])-[c:10]:[c:8]:[n:9]	1	19249
+[c:1]:1:[n:2]:[c:3](-[C:4]-2-[C:5]-[C:6]-2):[n:7]:[c:8]:[c:9]:1>>[c:1]:1:[n:2]:[c:3](:[n:7]:[c:8]:[c:9]:1)-[Cl:10].[C:4]-1(-[C:5]-[C:6]-1)-[B:12](-[O:11])-[O:13]	1	19274
+[n:1]:[c:2](-[C:3]-[n:4]:1:[c:5]:[c:6]:[c:7]:[c:9]:1:[c:8]):[c:10]>>[n:1]:[c:2](-[C:3]-[O:11]):[c:10].[n:4]:1:[c:5]:[c:6]:[c:7]:[c:9]:1:[c:8]	1	19277
+[C:1]=[C:2](-[C:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Br:7].[C:1]=[C:2](-[C:3])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16]	1	19280
+[n:1]:[c:2](-[C:3]-[O:4]-[C:5]):[o:6]>>[n:1]:[c:2](-[C:3]-[Cl:7]):[o:6].[O:4]-[C:5]	1	19315
+[c:1](:[n:2]):[c:3]-[O:4]-[c:5]:1:[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2:[n:11]:[c:12]:[n:13]:1>>[c:5]:1(:[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2:[n:11]:[c:12]:[n:13]:1)-[Cl:14].[c:1](:[n:2]):[c:3]-[O:4]	1	19349
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](-[O:6]-[c:7]):[n:8]:[c:9]:[n:10]:[c:11]:1:2>>[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](:[n:8]:[c:9]:[n:10]:[c:11]:1:2)-[Cl:12].[O:6]-[c:7]	1	19350
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13].[C:3](=[O:4])(-[O:5])-[Cl:14]	1	19362
+[N:1]#[C:2]-[N:3]>>[C:2](-[N:3])(-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:11].[N:1]#[C:5]-[Br:4]	1	19367
+[C:1]=1-[N:2]-[N:3]-[C:4](=[O:5])-[N:6]=1>>[C:1](-[N:2]-[N:3])=[N:6].[C:4](=[O:5])(-[n:9]:1:[c:8]:[c:7]:[n:16]:[c:15]:1)-[n:10]:2:[c:11]:[c:12]:[n:13]:[c:14]:2	1	19372
+[n:1]:[c:2](-[C:3](-[N:4]-[N:5])=[N:6]):[c:7]>>[n:1]:[c:2](-[C:3]#[N:6]):[c:7].[N:4]-[N:5]	1	19373
+[C:1](-[C:2])(-[c:3])=[O:4]>>[C:1](-[C:2])-[c:3].[O:4]=[Mn:6](=[O:5])(=[O:7])-[O:8]	1	19393
+[C:1]-[C:2](-[C:3])=[C:4]>>[C:1]-[C:2](-[C:3])=[O:14].[C:4]-[P+:19](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:18]:2:[c:12]:[c:13]:[c:15]:[c:16]:[c:17]:2)-[c:20]:3:[c:5]:[c:24]:[c:23]:[c:22]:[c:21]:3	1	19414
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5]):[c:6]:[c:8](:[n:7]):[c:9]:1>>[O:4]-[C:5].[c:1]:1:[n:2]:[c:3](:[c:6]:[c:8](:[n:7]):[c:9]:1)-[Cl:10]	1	19427
+[c:1]:1:[n:2]:[n:3]:[c:4](-[c:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:2):[c:11]:1>>[c:1]:1:[n:2]:[n:3]:[c:4](:[c:11]:1)-[Br:12].[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[B:14](-[O:13])-[O:15]	1	19434
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[c:7]:1>>[C:1]-[C:2](=[N:3]-[O:4])-[Cl:8].[C:5](-[c:6])#[C:7]	1	19451
+[C:1]=[C:2](-[c:3]:1:[c:4]:[n:5]:2:[c:6]:[c:7]:[s:8]:[c:9]:2:[n:10]:1)-[C:11](=[O:12])-[O:13]>>[C:1]=[C:2](-[C:3](-[C:4]-[Br:15])=[O:14])-[C:11](=[O:12])-[O:13].[n:5]:1:[c:6]:[c:7]:[s:8]:[c:9]:1-[N:10]	1	19459
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[n:8]:1>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5](:[n:8]:1)-[Cl:9].[O:6]-[c:7]	1	19482
+[C:1]-[C:2](-[c:3](:[c:4]):[c:5])=[C:6](-[C:7])-[C:8]>>[C:1]-[C:2](=[C:6](-[C:7])-[C:8])-[Br:9].[c:3](:[c:4])(:[c:5])-[B:11](-[O:10])-[O:12]	1	19503
+[Cl:1]-[C:2](-[Cl:3])=[C:4]-[C:5]-[O:6]-[c:7]>>[O:6]-[c:7].[Cl:1]-[C:2](-[Cl:3])(-[C:4]-[C:5]-[Cl:8])-[Cl:9]	1	19532
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:15]	1	19558
+[N:1]-[C:2]-1=[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[N:8](-[C:9]-[C:10])-[C:11]-1=[O:12]>>[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:[c:11]:1-[O:12].[C:9](-[C:10])-[O:17]-[S:14](-[C:13])(=[O:15])=[O:16]	1	19577
+[c:1](:[c:2]):[n:10]:[c:4](:[c:3])-[C:5](=[O:6])-[c:7]:[c:8]:[n:9]>>[c:1](:[c:2]):[n:10]:[c:4]:[c:3].[C:5](=[O:6])(-[c:7]:[c:8]:[n:9])-[N:12](-[O:11]-[C:14])-[C:13]	1	19579
+[C:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[C:1]-[C:2]-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12].[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	1	19588
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:7]-[C:8]>>[C:7](-[C:8])-[O:12]-[S:9](=[O:10])(=[O:11])-[C:13].[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	1	19610
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])-[C:10]-[S:7](=[O:6])(=[O:8])-[O:9]	1	19615
+[C:1]-[C:2](=[C:3](-[C:4]-[N:5](-[C:6])-[C:7])-[C:8])-[Br:9]>>[C:1]-[C:2](=[C:3](-[C:4]=[O:10])-[C:8])-[Br:9].[N:5](-[C:6])-[C:7]	1	19617
+[C:1]-[C:2](-[C:3]#[C:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[C:2]=[O:8].[N:5](-[C:6])-[C:7].[C:3]#[C:4]	1	19618
+[N:1]#[C:2]-[C:3](-[c:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[N:1]#[C:2]-[Si:9](-[C:8])(-[C:10])-[C:11].[C:3](-[c:4])=[O:12]	1	19620
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:7]:[n:9]:1:[n:8]):[c:10])-[C:11]>>[C:1]-[N:2]-[C:11].[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:7]:[n:9]:1:[n:8]):[c:10])-[Cl:12]	1	19677
+[C:1]-[N:2](-[C:3](-[C:4])(-[C:5](=[O:6])-[N:7])-[c:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3](-[C:4])(-[C:5](=[O:6])-[N:7])(-[c:8])-[Br:10]	1	19693
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8])-[C:10]>>[C:1]-[N:2](-[C:10])-[C:17](-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15])=[O:18].[c:3]:1(:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8])-[Br:11]	1	19723
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]:[c:7]:[n:8]):[n:9]:1>>[C:5](-[c:6]:[c:7]:[n:8])(=[O:10])-[O:11].[C:1]-[C:2](-[N:3]-[O:4])=[N:9]	1	19774
+[c:1]-[C:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:1]-[C:2]-[Br:7].[c:3](:[c:4])(:[c:6]:[n:5])-[B:9](-[O:8])-[O:10]	1	19775
+[n:1]:[c:6]:[c:2]-[C:3](-[n:4]:1:[c:8]:[c:7]:[n:10]:[c:9]:1)=[O:5]>>[n:1]:[c:6]:[c:2]-[C:3](=[O:5])-[O:18].[n:4]:1(:[c:8]:[c:7]:[n:10]:[c:9]:1)-[C:12](=[O:11])-[n:13]:2:[c:14]:[c:15]:[n:16]:[c:17]:2	1	19783
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14].[C:3](=[O:4])=[N:5]-[c:6]	1	19791
+[c:1](:[c:2]-[c:3]:1:[n:4]:[n:5]:[n:6]:[n:7]:1):[s:8]>>[c:1](:[c:2]-[C:3]#[N:7]):[s:8].[N-:4]=[N+:6]=[N-:5]	1	19792
+[C:1](-[N:2])=[O:3]>>[C:1](-[n:2]:1:[c:5]:[c:4]:[n:7]:[c:6]:1)=[O:3]	1	19805
+[c:1]:1:[c:2]:[s:3]:[c:4]:2:[c:5]:1:[c:6](:[n:7]:[c:8]:[n:9]:2)-[O:10]>>[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1-[C:6](=[O:10])-[O:13]-[C:12]-[C:11])-[N:9].[N:7]-[C:8]=[N:14]	1	19809
+[C:1](=[O:2])-[N:3]-[N:4]-[c:5]>>[C:1](=[O:2])-[N:3]-[N:4](-[c:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	1	19811
+[N:1](-[C:2])-[S:3]>>[N:1](-[C:2])(-[S:3])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]	1	19813
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]>>[C:5](-[c:6])=[O:21].[O:1]-[C:2](=[O:3])-[C:4]-[P:8](=[O:7])(-[O:9]-[C:10]-[C:11](-[F:12])(-[F:13])-[F:14])-[O:15]-[C:16]-[C:17](-[F:18])(-[F:19])-[F:20]	1	19823
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6].[c:7]:[c:8](-[C:9](=[N:10])-[N:11]-[C:12](=[O:13])-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18]):[s:19]>>[c:1]:[c:2](:[c:6])-[Br:20].[c:7]:[c:8](-[C:9](-[N:10])=[N:11]-[C:12](=[O:13])-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18]):[s:19].[c:3](:[c:4])(:[c:5])-[B:25]-1-[O:24]-[C:22](-[C:21])(-[C:23])-[C:27](-[O:26]-1)(-[C:28])-[C:29]	1	19827
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6].[c:7]:[c:8](-[C:9](=[N:10])-[N:11]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]):[s:12]>>[c:1]:[c:2](:[c:6])-[Br:20].[c:7]:[c:8](-[C:9](-[N:10])=[N:11]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]):[s:12].[c:3](:[c:4])(:[c:5])-[I:21]	1	19828
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7].[C:8]-[N:12]=[C:10](-[O:9])-[N:11]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]>>[c:1]-[N:2].[C:8]-[N:12]-[C:10](-[O:9])=[N:11]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:20]	1	19832
+[N:1]-[C:2](=[N:3]-[C:4])-[S:5]>>[N:1](=[C:2](-[N:3]-[C:4])-[S:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	1	19833
+[C:1]-[O:2]-[C:3]-[C:4]-[C:5](=[O:6])-[O:7]>>[C:1]-[O:2].[C:3](-[C:4]-[C:5](=[O:6])-[O:7])-[Br:8]	1	19840
+[C:1](=[O:2])-[C:3]-[N:4]>>[C:1](=[O:2])-[C:3]-[N:4]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]	1	19843
+[C:1]-[C:2](=[N:3]-[c:4])-[N:7]-[C:5]=[O:6]>>[C:1]-[C:2](-[N:7]-[C:5]=[O:6])=[O:8].[N+:3](-[c:4])(=[O:9])-[O-:10]	1	19847
+[C:1]-[C:2](=[O:3])-[C:4]>>[C:2](=[O:3])(-[C:4])-[N:7](-[O:6]-[C:5])-[C:8].[C:1]-[Mg+:9]	1	19848
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:[c:11]:1-[C:12]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:11](-[C:12])=[O:13].[C:5](-[c:6](:[c:7]):[c:9](:[c:8])-[N:10])=[O:14]	1	19888
+[c:1]-[O:2]-[C:3]-[C:4]#[C:5]>>[c:1]-[O:2].[C:3](-[C:4]#[C:5])-[O:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13]	1	19897
+[C:1]-1-[C:2](-[N:3](-[C:4]-[C:5](-[N:6]-1)=[O:8])-[C:9])=[O:7]>>[C:1](-[C:2](=[O:7])-[O:17])-[N:6]-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[N:3](-[C:4]-[C:5](=[O:8])-[O:20]-[C:19]-[C:18])-[C:9]	1	19904
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:15]-[c:14]:1:[c:9](-[N+:7](=[O:6])-[O-:8]):[c:10]:[c:11]:[c:12]:[c:13]:1.[N:4]-[C:5]	1	19916
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](=[C:6]-[C:7])-[C:9](-[N:8])=[O:10]>>[C:1]-[C:2](=[O:3])-[O:11].[N:4]-[C:5](=[C:6]-[C:7])-[C:9](-[N:8])=[O:10]	1	19975
+[C:1]-[C:2](=[O:3])-[O:5]-[c:4]>>[C:1]-[C:2](=[O:3])-[O:6].[c:4]-[O:5]	1	19986
+[C:1]-1-[C:2]-[C:3]-[N:4](-[c:5])-[C:6]-1=[O:7]>>[C:1](-[C:2]-[C:3]-[S:9]-[C:8])-[C:6](-[N:4]-[c:5])=[O:7]	1	19997
+[C:1]-[S:2]-[C:3]-[c:4]>>[C:1]-[S:2].[C:3](-[c:4])-[O:5]	1	20026
+[N:1]-[C:2](=[O:3])-[O:4]>>[N:1]-[C:2](=[O:3])-[O:4]-[C:6](-[C:5])(-[C:7])-[C:8]	1	20027
+[C:1]-[C:2]-1=[C:3](-[c:4](:[c:5]):[c:7]:[n:6])-[C:8]=[C:9]-[C:10]-[N:11]-1>>[c:4](:[c:5])(:[c:7]:[n:6])-[Br:12].[C:1]-[C:2]-1=[C:3](-[C:8]=[C:9]-[C:10]-[N:11]-1)-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21]	1	20032
+[c:1]-[C:2]-[N:3](-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[C:11](=[O:12])-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17]>>[N:3](-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[C:11](=[O:12])-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17].[c:1]-[C:2]-[Br:18]	1	20070
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[c:10])-[C:11](=[O:12])-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:11](=[O:12])-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17].[C:9](-[c:10])-[Cl:18]	1	20071
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[s:9]>>[C:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[s:9])-[Cl:10]	1	20102
+[N:1]=[C:2]-[S:4](-[C:3])(=[O:5])=[O:6]>>[N:1]=[C:2]-[S:4]-[C:3].[O:5]=[S:8](-[O:7])-[O:9]-[O:6]	1	20110
+[n:1]:[c:2]:[c:3]-[n:4]:1:[c:5](:[n:6]:[n:7]:[c:8]:1-[C:9])-[C:10]>>[n:1]:[c:2]:[c:3]-[N:4]-[C:5](-[C:10])=[S:12].[N:6]-[N:7]-[C:8](-[C:9])=[O:11]	1	20115
+[C:1]-[N:2]>>[C:1]-[N:2]-[S:8](-[c:7]:1:[c:6]:[c:5]:[c:4](-[C:3]):[c:12]:[c:11]:1)(=[O:9])=[O:10]	1	20121
+[c:1]-[O:2]-[C:3]-[c:4](:[c:5]):[o:6]>>[c:1]-[O:2].[C:3](-[c:4](:[c:5]):[o:6])-[Cl:7]	1	20136
+[C:1]-[C:2]>>[C:1](-[C:2])-[I:3]	1	20150
+[C:1]-[C:2](=[O:3])-[C:4]>>[C:1]-[C:2](-[C:4])=[C:6].[O:3]=[O+:5]-[O-:7]	1	20191
+[C:1]-[n:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8](:[n:9]):[c:10]:[c:11]:1:2>>[C:1]-[N:2]-[c:11]:1:[c:5](-[N:4]):[c:6]:[n:7]:[c:8](:[n:9]):[c:10]:1.[N:3](=[O:12])-[O:13]	1	20204
+[C:1]-[O:2]-[C:3](=[O:4])-[n:5](:[c:6]:[c:7]):[c:8]>>[C:1]-[O:2].[C:3](=[O:4])(-[n:5](:[c:6]:[c:7]):[c:8])-[n:11]:1:[c:10]:[c:9]:[n:13]:[c:12]:1	1	20251
+[n:1]:[c:2]:[c:3]-[N:4]-[C:5](=[O:6])-[c:7](:[c:8]:[s:9]):[n:10]>>[n:1]:[c:2]:[c:3]-[N:4].[C:5](=[O:6])(-[c:7](:[c:8]:[s:9]):[n:10])-[O:11]	1	20276
+[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[c:6](:[c:7]):[c:8])-[N:9]=[C:10]-1>>[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[N:9]=[C:10]-1)-[Cl:11].[c:6](:[c:7])(:[c:8])-[B:13](-[O:12])-[O:14]	1	20290
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[c:6](:[n:7]:[n:8]):[c:9]>>[c:6](:[n:7]:[n:8])(:[c:9])-[Cl:10].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[B:12](-[O:11])-[O:13]	1	20312
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](=[O:4])-[N:9](-[C:8])-[C:10].[O:5]-[C:6]	1	20314
+[C:1]-[N:2](-[C:3]-[C:4]-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3]=[C:4]-[c:5]	1	20328
+[N:1]-[C:2]>>[N:1](-[C:2])-[C:4](-[C:3])-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1	1	20389
+[C:1](=[O:2])-[O:3]-[C:4]-[c:5]>>[C:1](=[O:2])-[O:3].[C:4](-[c:5])-[O:6]	1	20409
+[C:1]-[C:2]-[N:3](-[C:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]>>[C:1]-[C:2]-[Br:12].[N:3](-[C:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]	1	20426
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[C:6]=[C:7]-[c:8](:[c:9]):[c:11]-1:[c:10]>>[C:1]-[C:2]-[Br:12].[n:3]:1:[c:4](-[O:5]):[c:6]:[c:7]:[c:8](:[c:9]):[c:11]:1:[c:10]	1	20480
+[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[N:7]-[C:8]>>[N:7]-[C:8].[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[O:9]	1	20499
+[N:1](-[C:2])-[C:6]-[C:4](-[N:3])=[O:5]>>[N:1](-[C:2])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13].[N:3]-[C:4](=[O:5])-[C:6]-[Cl:14]	1	20521
+[C:1]-[n:2]:1:[n:3]:[c:4](-[O:5]-[C:6]-[c:7]):[c:8]:[c:9]:1-[C:10](=[O:12])-[O:13]>>[C:1]-[N:2]-1-[N:3]-[C:4](=[O:5])-[C:8]=[C:9]-1-[C:10](=[O:12])-[O:13].[C:6](-[c:7])-[Br:11]	1	20523
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:5])-[O:13]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11]	1	20525
+[n:1]:[c:2]:1:[c:3](:[s:4]):[c:5]:[c:6](:[c:7]):[n+:8]:[c:9]:1-[N:10]>>[n:1]:[c:2]:1:[c:3](:[s:4]):[c:5]:[c:6](:[c:7]):[n+:8]:[c:9]:1.[N:10]	1	20545
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6](-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]):[n:15]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:15]:1)-[Cl:16].[N:6](-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	20623
+[C:1](-[N:2])=[O:3]>>[C:1](-[N:2])(=[O:3])-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7]	1	20624
+[C:1]-[C:4]-1=[C:3](-[C:2])-[N:8]-[N:7]-[C:5]-1=[O:6]>>[C:1]-[C:4](-[C:3](-[C:2])=[O:16])-[C:5](=[O:6])-[N:7]-[N:8]-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]	1	20625
+[c:1]-[C:2]-1=[N:3]-[N:4](-[c:5])-[C:6](=[O:7])-[N:8]-1>>[N:3](-[N:4]-[c:5])-[C:13](-[O:12]-[C:9](-[C:10])(-[C:11])-[C:16])=[O:14].[c:1]-[C:2](-[N:8]=[C:6]=[O:7])=[O:15]	1	20638
+[O:1]-[N:2]>>[O:1]-[N:2]-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]	1	20645
+[c:1]:[c:2]:1:[n:3]:[c:4](-[N:5]):[n:6]:[c:7](-[C:8](=[O:9])-[N:10]):[c:11]:1:[c:12]>>[c:1]:[c:2](-[N:3]-[C:4](-[O:14]-[C:27](-[C:13])(-[C:26])-[C:28])=[O:15]):[c:11](-[C:7](-[C:8](=[O:9])-[N:10])=[O:16]):[c:12].[N:5](-[Si:18](-[C:17])(-[C:19])-[C:20])=[C:21]=[N:6]-[Si:22](-[C:23])(-[C:24])-[C:25]	1	20651
+[C:1]-[n:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[N:7]):[n:8]:[n:9]:1>>[C:3]#[C:4]-[C:5](=[O:6])-[N:7].[C:1]-[N:2]=[N+:9]=[N-:8]	1	20698
+[O:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6](-[c:7])-[C:8]-1=[O:9]>>[O:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[O:10]-[C:8]-1=[O:9].[N:6]-[c:7]	1	20718
+[C:1](-[c:2])(-[c:3](:[c:4]):[c:5])(-[C:6])-[O:7]>>[c:3](:[c:4])(:[c:5])-[I:8].[C:1](-[c:2])(-[C:6])=[O:7]	1	20761
+[s:1]:[c:2](-[N:3]-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1):[c:10]>>[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[Cl:11].[s:1]:[c:2](-[N:3]):[c:10]	1	20770
+[c:1]:1:[n:2]:[n:3]:[c:4]:2:[n:5]:[c:6]:[n:7]:[c:8](-[N:9]-[c:10]):[c:11]:1:2>>[c:1]:1:[n:2]:[n:3]:[c:4](-[N:5]=[C:6]-[N:13](-[C:12])-[C:14]):[c:11]:1-[C:8]#[N:7].[N:9]-[c:10]	1	20777
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+[n:1]:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]>>[c:4](:[c:5])(:[c:6])-[B:10](-[O:9])-[O:11].[n:1]:[n:2]:[c:3](:[c:7])-[Br:8]	1	20782
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+[c:1]:1:[n:2]:[c:3]:2:[c:4](-[N:5]):[n:6]:[c:7](:[c:8]):[c:10](:[c:9]):[c:11]:2:[c:12]:[c:13]:1>>[N:5](-[c:10](:[c:7](:[c:8])-[B:22](-[O:23])-[O:24]):[c:9])-[C:20](-[O:19]-[C:16](-[C:15])(-[C:17])-[C:18])=[O:21].[c:1]:1:[n:2]:[c:3](-[C:4]#[N:6]):[c:11](:[c:12]:[c:13]:1)-[Br:14]	1	20827
+[N:1]-1-[C:2](=[O:3])-[N:4](-[c:5])-[c:6](:[n:7]:[c:8]:[c:9]):[c:10]-1>>[N:1](-[C:2](=[O:3])-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14])-[c:10]:[c:6](:[n:7]:[c:8]:[c:9])-[Cl:16].[N:4]-[c:5]	1	20829
+[C:1]-[N:2](-[c:3]:[c:4]:[n:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]>>[C:1]-[I:13].[N:2](-[c:3]:[c:4]:[n:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	1	20831
+[n:1]:1:[c:2]:[c:3](:[c:4]:[c:5]:1)-[I:6]>>[n:1]:1:[c:2]:[c:3]:[c:4]:[c:5]:1.[I:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	1	20837
+[n:1]:[c:2]:[c:3]-[C:4]-1=[N:5]-[O:6]-[C:7](=[O:8])-[N:9]-1>>[n:1]:[c:2]:[c:3]-[C:4]#[N:9].[N:5]-[O:6].[C:7](=[O:8])(-[O:10])-[O:11]	1	20845
+[O:1]=[S:2](=[O:3])(-[N:4](-[c:5](:[c:6]:[s:7]):[n:8])-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16])-[c:9]>>[N:4](-[c:5](:[c:6]:[s:7]):[n:8])-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[O:1]=[S:2](=[O:3])(-[c:9])-[Cl:17]	1	20861
+[n:1]:1:[c:2]:[c:3](-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]):[c:9]:[c:10]:1>>[n:1]:1:[c:2]:[c:3](:[c:9]:[c:10]:1)-[I:24].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Sn:15](-[C:14]-[C:13]-[C:12]-[C:11])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23]	1	20881
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[N:6](-[C:7]-[c:8])-[C:9](=[O:10])-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14]>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[N:6]-[C:9](=[O:10])-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14].[C:7](-[c:8])-[Br:16]	1	20882
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+[n:1]:[c:2](-[N:3]-[c:4](:[c:5]):[c:8](:[n:6]):[n:7]):[c:9]>>[c:4](:[c:5])(:[c:8](:[n:6]):[n:7])-[Br:10].[n:1]:[c:2](-[N:3]):[c:9]	1	21404
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[n:6](:[c:7](:[c:8]):[c:9]:1)-[C:13]=[O:14]>>[c:1]:1:[c:2](:[n:6](:[c:7](:[c:8]):[c:9]:1)-[C:13]=[O:14])-[B:11](-[O:10])-[O:12].[c:3](:[c:4])(:[c:5])-[Br:15]	1	21444
+[n:1]:[c:6](:[c:2]):[c:4](:[c:3])-[Cl:5]>>[n:1]:[c:6](:[c:2]):[c:4]:[c:3].[Cl:5]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	1	21458
+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:[n:6]):[c:7]:1>>[c:1]:1:[c:2]:[n:3](:[c:4](:[c:5]:[n:6]):[c:7]:1)-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14]	1	21461
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[N:6]>>[C:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[N:6])-[Cl:7]	1	21493
+[C:1](-[N:2]-[C:3](-[C:4])-[C:5](=[O:6])-[O:10])-[C:7](=[O:8])-[O:9]>>[C:1](-[N:2])-[C:7](=[O:8])-[O:9].[C:3](-[C:4])(-[C:5](=[O:6])-[O:10])-[Br:11]	1	21496
+[n:1]:[c:2](-[N:3](-[C:4])-[C:5]-[c:6]):[n:7]>>[n:1]:[c:2](-[N:3]-[C:4]):[n:7].[C:5](-[c:6])-[Br:8]	1	21515
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8]	1	21516
+[N:1]-1-[C:2]=[C:3]-[C:4](-[c:5](:[c:6]):[c:7])=[C:8]-[C:9]-1=[O:10]>>[N:1]-1-[C:2]=[C:3]-[C:4](=[C:8]-[C:9]-1=[O:10])-[Br:11].[c:5](:[c:6])(:[c:7])-[B:13](-[O:12])-[O:14]	1	21519
+[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:10]):[c:6]:[c:7](-[c:8]):[n:9]:1>>[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:10])-[C:6]-[C:7](-[c:8])=[O:12])=[O:11].[N:9]	1	21524
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]=[N:6]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:7].[N:4]-[C:5]=[N:6]	1	21536
+[O:1]=[C:2](-[C:3])-[N:4]=[C:5](-[N:6]-[C:7])-[N:8]>>[O:1]=[C:2](-[C:3])-[O:9].[N:4]-[C:5](=[N:6]-[C:7])-[N:8]	1	21540
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+[N:1]-[C:7](-[N:6]-[C:2]-[C:3](=[O:4])-[O:5])=[O:8]>>[N:1]-[C:7](-[N:6](-[C:2]-[C:3](=[O:4])-[O:5])-[C:10](=[O:9])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)=[O:8]	1	21596
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6](-[C:7](=[O:8])-[O:9])-[C:10]):[n:11]:1>>[N:6](-[C:7](=[O:8])-[O:9])-[C:10].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:11]:1)-[Cl:12]	1	21598
+[n:1]:[c:2](-[C:3]-[O:5]):[n:4]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:8]-[C:7]-[C:6]):[n:4]	1	21640
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+[C:1]-[C:2]=[C:3](-[N:4]-[S:5](=[O:6])(=[O:7])-[C:8])-[C:9](=[O:10])-[N:11]>>[C:1]-[C:2]=[C:3](-[N:4])-[C:9](=[O:10])-[N:11].[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:12]	1	21699
+[N:1]-[C:9](-[C:2]-[N:3]-[C:4](-[C:5])-[C:6](=[O:7])-[O:8])=[O:10]>>[N:1]-[C:9](-[C:2]-[N:3])=[O:10].[C:4](-[C:5])(-[C:6](=[O:7])-[O:8])-[Br:11]	1	21703
+[N:1]-[C:2](=[O:3])-[N:4](-[c:5]:1:[n:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[c:11]>>[N:1]-[C:2](=[O:3])-[N:4]-[c:11].[c:5]:1(:[n:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[Cl:12]	1	21707
+[N:1]-[C:2](=[O:3])-[N:4](-[c:5](:[n:6]:[c:7]:[c:8]):[c:9])-[c:10]>>[N:1]-[C:2](=[O:3])-[N:4]-[c:10].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Br:11]	1	21708
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+[c:1]:[c:2]:1:[c:3](:[n:4]:[c:5](-[O:6]):[c:7]:2:[c:8]:1:[c:9]:[c:10]:[s:11]:2):[c:12]>>[c:1]:[c:2]:[c:3](-[N:4](-[C:5](=[O:6])-[c:7]:1:[c:8](:[c:9]:[c:10]:[s:11]:1)-[Br:20])-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]):[c:12]	1	21797
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+[C:1]-[N:2]-[C:3].[c:4]-[N:5]-[C:6](=[N:7])-[c:8](:[c:9]):[s:10]>>[C:1]-[N:2](-[C:3])-[C:16](-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14])=[O:17].[c:4]-[N:5]=[C:6](-[N:7])-[c:8](:[c:9]):[s:10]	1	21889
+[n:1]:[c:2]:[c:3]-[C:4](-[C:5])-[O:7]-[C:6]>>[n:1]:[c:2]:[c:3]-[C:4](-[C:5])-[O:8].[C:6]-[O:7]	1	21893
+[n:1]:1:[c:2]:[n:3]:[c:4](-[c:5]:2:[c:6]:[c:7](:[n:8]):[c:10](:[c:9]):[s:11]:2):[c:12]:1>>[n:1]:1:[c:2]:[n:3]:[c:4](:[c:12]:1)-[I:13].[c:5]:1:[c:6]:[c:7](:[n:8]):[c:10](:[c:9]):[s:11]:1	1	21902
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+[n:1]:[c:2]-1:[c:3]-[C:4](=[O:5])-[N:6]-[C:7](=[O:8])-[N:9]-1>>[n:1]:[c:2](:[c:3]-[C:4](=[O:5])-[N:6])-[N:9].[C:7](=[O:8])(-[O:14]-[C:11](-[Cl:10])(-[Cl:12])-[Cl:13])-[O:15]-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19]	1	22265
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+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[c:7]):[c:8]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:16]):[c:8].[N:5](-[C:6])(-[c:7])-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]	1	22340
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+[C:1]-[N:2]-[C:3](-[N:4]-[C:7](=[O:6])-[O:8])=[S:5]>>[C:1]-[N:2].[C:3](=[N:4]-[C:7](=[O:6])-[O:8])=[S:5]	1	22470
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+[C:1]-[O:2]-[c:3]:1:[n:4]:[n:5](:[c:6](:[c:7]):[c:9]:1:[c:8])-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16]>>[O:2]=[C:3]-1-[N:4]-[N:5](-[c:6](:[c:7]):[c:9]-1:[c:8])-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[C:1]-[I:17]	1	23162
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+[C:1](=[O:2])(-[C:3](=[C:4])-[C:16]-[C:7](=[N:6]-[c:5])-[N:8]-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])-[O:17]>>[C:1](=[O:2])(-[C:3](=[C:4])-[C:16]-[C:7](-[N:6]-[c:5])=[N:8]-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])-[O:17]-[C:19]-[C:18]	1	23174
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+[N:1](-[C:2]-[C:3](=[O:4])-[N:5])(-[C:6])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]>>[N:1](-[C:6])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13].[C:2](-[C:3](=[O:4])-[N:5])-[Br:14]	1	23290
+[n:1]:[c:2]:[c:3]-[O:4]-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]>>[n:1]:[c:2]:[c:3]-[O:4].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Cl:10]	1	23296
+[C:1]-[C:2]-1=[N:3]-[c:4]:[c:5]-[C:6](=[O:7])-[N:8]-1-[c:9]>>[C:1]-[C:2](-[O:10])=[O:12].[N:3]-[c:4]:[c:5]-[C:6](=[O:7])-[O:11].[N:8]-[c:9]	1	23306
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+[C:1]-[C:2]-1-[O:3]-[C:4]-1>>[C:1]-[C:2]=[O:3].[C:4]-[S+:6](-[C:5])(-[C:7])=[O:8]	1	23343
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+[C:1]-[C:2](-[O:3])-[c:4]:1:[n:5]:[c:6]:[c:8](:[c:7]):[o:9]:1>>[C:1]-[C:2]=[O:3].[c:4]:1:[n:5]:[c:6]:[c:8](:[c:7]):[o:9]:1	1	23362
+[N:1]-[C:2]-[C:9](=[O:10])-[O:11].[C:3]-[N:4]=[C:5](-[N:6])-[N:7]-[N+:8]>>[N:1](-[C:2]-[C:9](=[O:10])-[O:11])-[C:17](-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15])=[O:18].[C:3]-[N:4]-[C:5](=[N:6])-[N:7]-[N+:8]	1	23379
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+[n:1]:[c:2]:[c:3]-[N:4]>>[n:1]:[c:2]:[c:3]-[N:4]-1-[C:5](=[O:6])-[c:14]:2:[c:9](-[C:8]-1=[O:7]):[c:10]:[c:11]:[c:12]:[c:13]:2	1	23433
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+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[C:5](-[c:6])(-[O:9]-[C:8])=[O:10].[C:1]-[C:2](-[N:3]-[O:4])=[N:7]	1	23461
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+[c:1]:[c:2]:1-[N:3]=[C:4]-[C:5](=[O:6])-[N:7](-[C:8]-[C:9])-[c:10]:1:[c:11]>>[C:8](-[C:9])-[O:16]-[S:13](-[C:12])(=[O:14])=[O:15].[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[O:6]):[n:7]:[c:10]:1:[c:11]	1	23537
+[C:1]-[C:2](-[N:3]-[C:6](=[O:5])-[O:7]-[C:8]-[c:9])-[C:4]>>[C:1]-[C:2](-[C:4])-[C:6](=[O:5])-[O:7].[C:8](-[c:9])-[O:10].[N:3](=[N+:12]=[N-:11])-[P:13](=[O:14])(-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)-[c:21]:2:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:2	1	23588
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+[n:1]:[c:2]:[c:5](:[c:4]:[o:3])-[C:6](=[O:7])-[N:8]-[c:9]:[c:11]:[n:10]>>[n:1]:[c:2]:[c:5](:[c:4]:[o:3])-[C:6](=[O:7])-[O:12].[N:8]-[c:9]:[c:11]:[n:10]	1	23613
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:9]:1:[c:8])-[C:10]>>[C:1]-[N:2]-[C:10].[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:9]:1:[c:8])-[Cl:11]	1	23652
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+[C:1](=[C:2])-[C:7]-[C:5](-[N:4]-[c:3])=[N:6]>>[C:1](=[C:2])-[C:7]-[C:5](=[N:4]-[c:3])-[N:6]-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14]	1	23703
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+[c:1]-[N:2]>>[c:1]-[N:2]-[C:4](=[O:3])-[O:5]-[C:6]-[C:7]-1-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]-1:3	1	23906
+[n:1]:[n:2]:1:[c:3](:[n:4]:[c:5]:[c:6]:1-[c:7](:[c:8]:[n:9]):[c:10]):[c:11]>>[n:1]:[n:2]:1:[c:3](:[n:4]:[c:5]:[c:6]:1-[Br:12]):[c:11].[c:7](:[c:8]:[n:9])(:[c:10])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21]	1	23938
+[N:1](-[C:2])-[C:6](-[c:5](:[n:3]):[c:4])=[O:13]>>[N:1](-[C:2])-[C:17](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12].[n:3]:[c:5](:[c:4])-[C:6](=[O:13])-[O:16]-[C:15]-[C:14]	1	23962
+[N:1]-[C:2](=[O:3])-[C:4]-[N:6]-[C:5]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[C:8](=[O:7])-[O:9]-[C:10]-[C:11]-1-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]-1:3	1	23970
+[C:1](=[O:2])-[O:3]-[C:4]-[C:5]#[N:6]>>[C:1](=[O:2])-[O:3].[C:4](-[C:5]#[N:6])-[Br:7]	1	23979
+[C:1]-[C:2](=[O:3])-[N:4]-[N:5]-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]>>[C:1]-[C:2](=[O:3])-[O:13].[N:4]-[N:5]-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	1	24012
+[c:1]-[C:2](=[O:3])-[N:4]-[N:5]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]>>[N:4]-[N:5]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12].[c:1]-[C:2](=[O:3])-[Cl:13]	1	24014
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5]-[N:6]-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[N:5]-[N:6]-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13].[C:1]-[O:2].[C:3](=[O:4])(-[n:16]:1:[c:15]:[c:14]:[n:23]:[c:22]:1)-[n:17]:2:[c:18]:[c:19]:[n:20]:[c:21]:2	1	24017
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[N:9](-[c:10]:1:[n:11]:[c:12]:[n:13]:[c:14]:[c:15]:1)-[C:16]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[N:9]-[C:16].[c:10]:1(:[n:11]:[c:12]:[n:13]:[c:14]:[c:15]:1)-[Cl:17]	1	24024
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[N:11]-[C:12](=[O:13])-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18]>>[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[N:11]-[C:12](=[O:13])-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18].[C:1]-[C:2](=[O:19])-[Cl:20]	1	24025
+[C:1](-[C:2]-[C:3](=[O:4])-[N:5](-[c:6])-[N:7]-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14])=[O:15]>>[C:1](-[C:2]-[C:3](=[O:4])-[Cl:16])=[O:15].[N:5](-[c:6])-[N:7]-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14]	1	24028
+[C:1]-[C:2]-[O:3]-[N:4]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]>>[O:3]-[N:4]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11].[C:1]-[C:2]-[Br:12]	1	24029
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[c:3](:[c:4])(:[c:5])-[O:10]-[B:8](-[O:7])-[O:9]	1	24046
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2](-[C:3]-[c:4](:[c:5]):[c:7](:[c:6])-[N:8]-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15])=[O:16]	1	24049
+[N:1]-[C:2](=[O:3])-[C:4](=[O:5])-[N:6]>>[N:1]-[C:2](=[O:3])-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10].[C:4](=[O:5])(-[N:6])-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16]	1	24057
+[c:1]:[c:2](-[c:3]:1:[c:4]:[o:5]:[c:6]:[c:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[I:9].[c:3]:1(:[c:4]:[o:5]:[c:6]:[c:7]:1)-[B:11](-[O:10])-[O:12]	1	24068
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[I:7].[c:3](:[c:4])(:[c:5])-[I:8]	1	24070
+[c:1](-[N:2]=[C:3]=[S:4]):[c:5]:[n:6]>>[c:1](-[N:2]):[c:5]:[n:6].[C:3](=[S:4])(-[n:9]:1:[c:8]:[c:7]:[n:16]:[c:15]:1)-[n:10]:2:[c:11]:[c:12]:[n:13]:[c:14]:2	1	24102
+[O:1]=[C:2]-[c:3](:[n:4]):[c:5]>>[C:2](-[c:3](:[n:4]):[c:5])=[C:6].[O+:1](=[O:7])-[O-:8]	1	24113
+[c:1](:[c:2]-1:[c:3](:[n:4])-[N:6]-[C:7](=[O:8])-[N:9]-1-[c:10](:[c:11]):[c:12]):[n:5]>>[c:1](:[c:2]-1:[c:3](:[n:4])-[N:6]-[C:7](=[O:8])-[N:9]-1):[n:5].[c:10](:[c:11])(:[c:12])-[B:14](-[O:13])-[O:15]	1	24139
+[c:1]-[C:2]-1=[N:3]-[c:4]:[c:5]-[N:6]-[C:7](=[O:8])-[C:9]-1>>[N:3](-[c:4]:[c:5]-[N:6])-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[c:1]-[C:2]-1=[C:9]-[C:7](=[O:8])-[O:21]-[C:18](-[C:17])(-[C:19])-[O:20]-1	1	24151
+[N:1]=[C:2](-[N:3]-[C:4])-[c:8](:[n:7]):[n:9].[c:5]-[N:6]>>[N:1]-[C:2](=[N:3]-[C:4])-[c:8](:[n:7]):[n:9].[c:5]-[N:6]-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16]	1	24163
+[C:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[c:7])-[C:8]-1>>[C:5](-[c:6])(-[c:7])=[C:8].[C:1]-[C:2]=[N:3]-[O:4]	1	24177
+[n:1]:[c:2](-[N:3]):[n:4]>>[n:1]:[c:2](-[N:3]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]):[n:4]	1	24221
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[c:6]):[n:7]>>[c:1]:[c:2](-[N:3]-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14]):[n:7].[C:4](=[O:5])(-[c:6])-[Cl:15]	1	24224
+[C:1]-[N:3](-[C:2])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]>>[C:4]-[C:5](-[C:6])(-[C:7])-[O:8]-[C:9](=[O:10])-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14].[C:1]-[N:3]-[C:2]	1	24234
+[C:1](-[C:3]=[C:2]-[N:4])=[O:5]>>[C:2](-[N:4])(-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15].[C:1](-[C:3])=[O:5]	1	24239
+[O:1]-[c:2]>>[O:1](-[c:2])-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]	1	24242
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[c:7](:[c:8]):[c:9]):[s:10]:1>>[c:7](:[c:8])(:[c:9])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](:[s:10]:1)-[Br:11]	1	24248
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1>>[c:1]:1:[c:2](:[n:3]:[c:4]:[c:5]:1)-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	1	24256
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5]:[n:6]:1:[c:7]:[c:8]>>[c:1]:[c:2](-[N:3]-[N:4]):[n:6]:[c:7]:[c:8].[C:5](-[O:10]-[C:9])(-[O:11]-[C:12])-[O:13]-[C:14]	1	24273
+[c:1]-1:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]-1=[C:7]-[c:8](:[c:9]):[n:10]):[s:11]>>[c:1]-1:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]-1):[s:11].[C:7](-[c:8](:[c:9]):[n:10])=[O:12]	1	24277
+[N:1]-1-[C:2]=[C:3](-[C:4])-[C:5](-[c:6](:[c:7]):[c:8])=[C:9]-[C:10]-1=[O:11]>>[N:1]-1-[C:2]=[C:3](-[C:4])-[C:5](=[C:9]-[C:10]-1=[O:11])-[Br:12].[c:6](:[c:7])(:[c:8])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21]	1	24294
+[N:1]-1-[C:2]=[C:3](-[C:4])-[C:5](-[c:6](:[c:7]):[c:8])=[C:9]-[C:10]-1=[O:11]>>[N:1]-1-[C:2]=[C:3](-[C:4])-[C:5](=[C:9]-[C:10]-1=[O:11])-[Br:12].[c:6](:[c:7])(:[c:8])-[B:14](-[O:13])-[O:15]	1	24295
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[c:7]:[c:8](:[c:9]:[c:10]:1):[n:11].[c:12]-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2-[C:19](=[O:20])-[O:21]>>[C:3](=[O:4])(-[c:5]:1:[c:6]:[c:16]:[c:15]:[c:14]:[c:13]:1-[c:12])-[O:26]-[C:23](-[C:22])(-[C:24])-[C:25].[c:7]:2:[c:8](:[c:9]:[c:10]:[c:18](:[c:17]:2)-[C:19](=[O:20])-[O:21]):[n:11].[C:1]-[N:2]	1	24305
+[c:1]:[c:2]:[n:3]:1:[c:4](:[n:5]:[n:6]:[c:7]:1-[c:8]):[c:9]>>[c:1]:[c:2]:[n:3]:[c:4](-[N:5]-[N:6]-[C:7](-[c:8])=[O:10]):[c:9]	1	24312
+[n:1]:1(:[c:2](-[C:3]#[N:4]):[c:5]:[c:6]:[c:7]:1)-[C:8]=[O:9]>>[n:1]:1(:[c:2]:[c:5]:[c:6]:[c:7]:1)-[C:8]=[O:9].[C:3](=[N:4]-[S:11](=[O:10])(=[O:12])-[Cl:13])=[O:14]	1	24324
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:1-[C:9]=[O:10]>>[c:1]:1:[c:2]:[c:3]:[c:4](:[n:8]:1-[C:9]=[O:10])-[Br:11].[c:5](:[c:6])(:[c:7])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	1	24328
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[n:6](:[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1:2)-[C:16]=[O:17]>>[c:1]:1:[c:2]:2:[n:6](:[c:7](:[c:8]:[c:9]:2:[c:10]:[c:11]:[c:12]:1)-[B:14](-[O:13])-[O:15])-[C:16]=[O:17].[c:3](:[c:4])(:[c:5])-[Br:18]	1	24336
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](=[N:7])-[N:8]-[O:9]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]#[N:7].[N:8]-[O:9]	1	24363
+[c:1]-[O:2]-[C:3](-[F:4])-[F:5]>>[C:3](-[F:4])(-[F:5])(-[P:9](-[O:8]-[C:7]-[C:6])(=[O:10])-[O:11]-[C:12]-[C:13])-[Br:14].[c:1]-[O:2]	1	24365
+[C:1](=[C:2])-[C:6](=[C:5](-[N:3])-[C:4])-[C:7](=[O:8])-[N:9]-[O:10]>>[N:9]-[O:10].[C:1](=[C:2])-[C:6](=[C:5](-[N:3])-[C:4])-[C:7](=[O:8])-[O:11]	1	24380
+[N:1]-1-[C:2](=[O:3])-[C:4]-[N:5](-[Cl:6])-[C:7]-1>>[N:1]-1-[C:2](=[O:3])-[C:4]-[N:5]-[C:7]-1.[Cl:6]-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11]	1	24390
+[C:1]-[O:2]-[C:3](-[O:4]-[C:5](-[C:6])(-[C:10])-[C:11])-[C:7](=[O:8])-[C:9]>>[C:1]-[O:2].[O:4](-[C:5](-[C:6])(-[C:10])-[C:11])-[Cl:12].[C:3](-[C:7](=[O:8])-[C:9])=[N+:14]=[N-:13]	1	24391
+[c:1]:[c:2](-[Cl:3]):[c:4]>>[Cl:3]-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8].[c:1]:[c:2]:[c:4]	1	24392
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]-[C:7](-[C:6])(-[C:8])-[C:9]>>[N:4]-[O:5]-[C:7](-[C:6])(-[C:8])-[C:9].[C:1]-[C:2](=[O:3])-[O:10]	1	24393
+[O:1]-[P:2](=[O:3])(-[O:4])-[O:5]-[C:6]>>[O:5]-[C:6].[O:3]-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10].[O:1]-[P:2](-[O:4])-[N:15](-[C:13](-[C:12])-[C:14])-[C:16](-[C:17])-[C:18]	1	24403
+[O:1]-[P:2](=[O:3])(-[O:4])-[O:5]-[C:6]-[c:7].[C:8](=[O:9])-[O:10]-[C:12]-[c:11]>>[O:5]-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16].[O:1]-[P:2](-[O:4])-[N:21](-[C:19](-[C:18])-[C:20])-[C:22](-[C:23])-[C:24].[O:3]=[C:28](-[O:27]-[C:26]-[C:25])-[C:29].[C:6](-[c:7])-[O:10]-[C:8]=[O:9].[c:11]-[C:12]-[Cl:30]	1	24404
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:4](-[C:3])(-[C:5])-[C:6]	1	24405
+[n:1]:[c:2](-[O:3]):[c:4]:[n:5]>>[n:1]:[c:2](-[O:3]-[C:9](-[C:6])(-[C:7])-[C:8]):[c:4]:[n:5]	1	24409
+[C:1]-[S:2]-[c:3]:1:[n:4]:[c:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8]>>[C:1]-[S:2].[c:3]:1(:[n:4]:[c:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[Br:11]	1	24416
+[C:1](-[C:2])=[N:3]-[S:4]>>[C:1](-[C:2])=[O:5].[N:3]-[S:4]	1	24417
+[N:1]=[C:2]-1-[N:3]-[C:4](-[c:5])(-[c:6]:2:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:2)-[c:12]:[c:13]-1>>[N:1]#[C:2]-[c:13]:[c:12]-[C:4](=[N:3]-[S:19](-[C:16](-[C:15])(-[C:17])-[C:18])=[O:20])-[c:5].[c:6]:1(:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Br:14]	1	24420
+[c:1]:[c:2](-[C:3]-1(-[c:4])-[N:5]=[C:6](-[N:7])-[c:8](:[n:9]):[c:10]-1):[c:11]>>[C:3](-[c:4])(=[N:5]-[S:17](-[C:14](-[C:13])(-[C:15])-[C:16])=[O:18])-[c:10]:[c:8](-[C:6]#[N:7]):[n:9].[c:1]:[c:2](:[c:11])-[Br:12]	1	24430
+[c:1]-[C:2]-1(-[c:3]:2:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:2)-[N:9]-[C:10](=[N:11])-[c:12]:[c:13]-1>>[c:1]-[C:2](=[N:9]-[S:18](-[C:15](-[C:14])(-[C:16])-[C:17])=[O:19])-[c:13]:[c:12]-[C:10]#[N:11].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[I:20]	1	24431
+[c:1]-[C:2]-1(-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[N:8]-[C:9](=[N:10])-[c:11]:[c:12]-1>>[c:1]-[C:2](=[N:8]-[S:18](-[C:15](-[C:14])(-[C:16])-[C:17])=[O:19])-[c:12]:[c:11]-[C:9]#[N:10].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[Br:13]	1	24432
+[O:1]-[C:2](=[O:3])-[C:4]-[c:5]:1:[c:6](-[S:7]):[c:8](:[c:9]):[c:11](:[c:10]):[n:12]:1>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6]-[S:7])=[O:14].[c:8](:[c:9]):[c:11](:[c:10])-[N:12]-[N:13]	1	24446
+[C:1]-[c:2]:1:[c:3](-[S:4]):[c:5](:[c:6]):[c:8](:[c:7]):[n:9]:1-[C:10]>>[C:1]-[C:2](-[C:3]-[S:4])=[O:12].[c:5](:[c:6]):[c:8](:[c:7])-[N:9](-[C:10])-[N:11]	1	24447
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5]-[c:6])-[c:7](:[c:8]):[n:9]>>[O:1]-[C:2](=[O:3])-[C:4]-[c:7](:[c:8]):[n:9].[C:5](-[c:6])-[Br:10]	1	24449
+[c:1]-[N:2]-[C:3]-[C:4]-[C:5](=[O:6])-[O:7]>>[c:1]-[N:2].[C:3]=[C:4]-[C:5](=[O:6])-[O:7]	1	24454
+[C:1]-[C:2]-1(-[c:3](:[n:4]):[c:5])-[O:6]-[C:7]-[C:8]-[O:9]-1>>[C:1]-[C:2](-[c:3](:[n:4]):[c:5])=[O:9].[O:6]-[C:7]-[C:8]-[O:10]	1	24463
+[C:1]-[C:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])=[O:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:9].[C:1]-[C:2](=[O:8])-[N:11](-[C:10])-[C:12]	1	24472
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]>>[C:1]-[Si:2](-[C:3])-[C:4].[O:5]-[C:6]	1	24476
+[C:1]#[C:2]>>[C:1](#[C:2])-[Si:7](-[C:4](-[C:3])(-[C:5])-[C:6])(-[C:8])-[C:9]	1	24479
+[n:1]:[c:2]:[c:9]:[c:4](:[c:3])-[C:5]-[C:6](=[O:7])-[O:8]>>[C:5]=[C:6](-[O:7]-[Si:14](-[C:11](-[C:10])(-[C:12])-[C:13])(-[C:15])-[C:16])-[O:8].[n:1]:[c:2]:[c:9]:[c:4](:[c:3])-[O:20]-[S:18](=[O:17])(=[O:19])-[C:21](-[F:22])(-[F:23])-[F:24]	1	24665
+[O:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6](-[N:7])-[N:8])-[C:10]=[C:9]>>[O:1]-[N:2].[C:3](=[O:4])(-[C:5](=[C:6](-[N:7])-[N:8])-[C:10]=[C:9])-[O:12]-[C:11]	1	24683
+[O:1]-[C:2](=[O:3])-[C:4]-1-[C:5]-[C:6]-1(-[C:7])-[C:8]>>[O:1]-[C:2](=[O:3])-[C:4]=[N+:10]=[N-:9].[C:5]=[C:6](-[C:7])-[C:8]	1	24735
+[C:1]-[C:2]-1=[C:3]-[C:4]-[C:5]-[C:6]-1(-[C:7])-[O:8]>>[C:1]-[C:2]-1=[C:3]-[C:4]-[C:5]-[C:6]-1=[O:8].[C:7]-[Li:9]	1	24736
+[c:1]-[N:2]-1-[C:3]-[c:4]:[c:6](:[n:5])-[N:7](-[C:8])-[C:9]-1=[O:10]>>[c:1]-[N:2]-[C:3]-[c:4]:[c:6](:[n:5])-[N:7]-[C:8].[C:9](=[O:10])(-[Cl:11])-[Cl:12]	1	24740
+[c:1]:[c:8](-[N:5](-[C:3](-[N:2])=[O:4])-[C:6]-[c:7]):[n:9]>>[c:1]:[c:8](-[N:5]-[C:3](-[N:2])=[O:4]):[n:9].[C:6](-[c:7])-[Br:10]	1	24751
+[C:1]=[C:2]-[C:3](-[O:4]-[S:5](=[O:6])(=[O:7])-[c:8])=[C:9]-[C:10]>>[C:1]=[C:2]-[C:3](-[O:4])=[C:9]-[C:10].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:11]	1	24768
+[N:1]-[C:2]=[C:3]-[C:4]-[O:5]>>[N:1]-[C:2]=[C:3]-[C:4]=[O:5]	1	24800
+[C:1]-[O:2]-[C:3]-[C:4](-[O:5])-[C:6](=[O:7])-[O:8]>>[C:1]-[O:2].[C:3]-1-[C:4](-[O:5]-1)-[C:6](=[O:7])-[O:8]	1	24810
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:9]-[C:8].[N:4]-[c:5](:[n:6]):[c:7]	1	24811
+[C:1]-[C:2]-[C:3](=[C:4]-[C:5](=[O:6])-[C:7])-[C:8]>>[C:1]-[C:2]=[C:3](-[C:4]-[C:5](-[O:6])-[C:7])-[C:8]	1	24814
+[n:1]:[c:2]:[c:3]-[C:4]-[N:5]-[c:6]>>[n:1]:[c:2]:[c:3]-[C:4]-[Br:7].[N:5]-[c:6]	1	24841
+[C:1](-[O:2]-[c:3]:1:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[n:11]:1)-[C:12](=[O:13])-[O:14]>>[C:1](-[O:2])-[C:12](=[O:13])-[O:14].[c:3]:1(:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[n:11]:1)-[Cl:15]	1	24852
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[c:6]:[c:7](-[C:8]#[N:9]):[n:10]:1>>[C:1]-[C:2]-1=[C:3]-[C:4](-[C:5])=[C:6]-[C:7](=[C:8]=[N-:9])-[N+:10]-1=[O:11]	1	24868
+[N:1]-1-[C:2]=[C:3](-[C:4](-[N:5])=[N:6]-[C:7]-1=[O:8])-[I:11].[C:9]-[O:10]>>[N:1]-1-[C:2]=[C:3](-[C:4](=[N:5])-[N:6]-[C:7]-1=[O:8])-[I:11].[C:9]-[O:10]-[Si:16](-[C:13](-[C:12])(-[C:14])-[C:15])(-[C:17])-[C:18]	1	24902
+[C:1](-[C:2]-[O:3]-[C:4](=[S:5])-[O:6])=[C:7]>>[C:1](-[C:2]-[O:3])=[C:7].[C:4](=[S:5])(-[O:6])-[Cl:8]	1	24931
+[N:1]-[C:2](-[C:3](-[C:4])(-[C:5])-[O:6])=[O:7]>>[C:5]-[I:8].[N:1]-[C:2](-[C:3](-[C:4])-[O:6])=[O:7]	1	24943
+[C:1](-[Si:2](-[C:3])(-[C:4])-[C:5])#[C:6]-[C:7]>>[Si:2](-[C:3])(-[C:4])(-[C:5])-[Cl:8].[C:1]#[C:6]-[C:7]	1	24952
+[c:1]:[c:2]:1-[N:3]=[C:4]-[C:5](=[O:6])-[N:7](-[C:8]-[C:9])-[c:10]:1:[c:11]>>[C:8](-[C:9])-[Br:12].[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[O:6]):[n:7]:[c:10]:1:[c:11]	1	24963
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Br:10].[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1)-[Br:11]	1	24991
+[n:1]:1:[c:2]:[c:3](:[c:4]:[n:5]:1)-[c:8]:2:[c:7](-[C:6]):[s:12]:[c:10](:[n:9]:2)-[N:11]>>[n:1]:1:[c:2]:[c:3](:[c:4]:[n:5]:1)-[C:8](-[C:7]-[C:6])=[O:13].[N:9]-[C:10](-[N:11])=[S:12]	1	25006
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]:[c:7]:[n:8]>>[N:4](-[C:5])-[c:6]:[c:7]:[n:8].[C:1]-[C:2](=[O:3])-[O:9]	1	25016
+[C:1](=[O:2])-[N:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[c:4](:[c:5])(:[c:6])-[I:8].[C:1](=[O:2])-[N:3]-[C:7]	1	25019
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]-[Br:4].[O:3]=[C:8](-[O:7]-[C:6]-[C:5])-[C:9]	1	25045
+[C:1]-[C:2](-[c:3](:[n:4]):[c:5])-[N:6](-[C:7]=[O:8])-[C:9]=[O:10]>>[C:1]-[C:2](-[c:3](:[n:4]):[c:5])-[Br:11].[N:6](-[C:7]=[O:8])-[C:9]=[O:10]	1	25056
+[C:1]-[C:2](-[c:3](:[n:4]):[c:5])-[Br:6]>>[C:1]-[C:2]-[c:3](:[n:4]):[c:5].[Br:6]-[N:12]-1-[C:10](-[C:8](-[C:7])(-[C:9])-[N:15](-[C:13]-1=[O:14])-[Br:16])=[O:11]	1	25057
+[O:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[O:1]-[C:2](=[O:3])-[Cl:8].[c:4](:[c:5])(:[c:6])-[Br:7]	1	25070
+[c:1]:1:[c:2](-[C:3](-[O:4])-[c:5]):[s:6]:[c:7]:[c:8]:1>>[c:1]:1:[c:2](:[s:6]:[c:7]:[c:8]:1)-[Br:9].[C:3](=[O:4])-[c:5]	1	25079
+[C:1]-[C:2]-1=[C:3]-[C:4](-[C:5])=[C:6]-[C:7](=[C:8]=[N-:9])-[N+:10]-1=[O:15]>>[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[c:6]:[c:7]:[n+:10]:1-[O-:15].[C:8](#[N:9])-[Si:12](-[C:11])(-[C:13])-[C:14]	1	25109
+[c:1]:[c:2](-[C:3]=[O:7]):[c:4](:[n:5]):[c:6]>>[c:1]:[c:2](:[c:4](:[n:5]):[c:6])-[Br:8].[C:3](=[O:7])-[N:10](-[C:9])-[C:11]	1	25134
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[O:15].[N:3](-[C:6]-[C:5])=[C:7]=[N:8]-[C:9]-[C:10]-[C:11]-[N:12](-[C:13])-[C:14]	1	25140
+[c:1]:[c:2](-[C:3]=[C:4]-[C:5](=[O:7])-[O:8]):[n:6]>>[c:1]:[c:2](-[C:3]=[O:25]):[n:6].[C:4](-[C:5](=[O:7])-[O:8])=[P:10](-[c:9]:1:[c:23]:[c:24]:[c:26]:[c:27]:[c:28]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:3	1	25157
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:1:[c:9]:[c:10]>>[c:1]:1:[n:2]:[c:3]:[c:4](:[n:8]:1:[c:9]:[c:10])-[Br:11].[c:5](:[c:6])(:[c:7])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	1	25164
+[c:1]:[c:2](-[C:3](=[N:4])-[N:5]-[O:6]):[s:7]>>[c:1]:[c:2](-[C:3]#[N:4]):[s:7].[N:5]-[O:6]	1	25178
+[c:1]:[c:2](-[C:3]#[N:4]):[s:5]>>[c:1]:[c:2](-[C:3]=[O:6]):[s:5].[N:4]-[O:7]	1	25179
+[c:1]-[C:2](=[C:3]-[C:4]#[N:5])-[c:6]>>[c:1]-[C:2](-[c:6])=[O:26].[C:3](-[C:4]#[N:5])=[C:14](-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:25]:1)-[c:15]:2:[c:16]:[c:17](-[O:18]-[C:19]):[c:20]:[c:21](-[O:22]-[C:23]):[c:24]:2	1	25249
+[C:1]-[C:2](-[c:3](:[c:4]):[c:5])=[C:6](-[C:7](=[O:8])-[O:9])-[C:10]>>[c:3](:[c:4])(:[c:5])-[Br:11].[C:1]-[C:2](=[C:6](-[C:7](=[O:8])-[O:9])-[C:10])-[O:15]-[S:13](=[O:12])(=[O:14])-[C:16](-[F:17])(-[F:18])-[F:19]	1	25258
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[S:6]-[c:7]):[c:8]:1>>[S:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[N+:10](=[O:9])-[O-:11]	1	25289
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1>>[C:1]-[I:7].[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1	1	25305
+[C:1]-[N:2]-[C:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1>>[C:1]-[N:2].[C:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)=[O:9]	1	25310
+[C:1]-[C:2](-[C:3]-[O:4])(-[C:5])-[O:7]-[c:6]>>[C:1]-[C:2](=[C:3])-[C:5].[c:6]-[O:7].[O:4]-[O:10]-[C:9](=[O:8])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15](-[Cl:16]):[c:17]:1	1	25311
+[c:1]:1:[c:2]:2:[n:3]:[c:4]:[c:5]:[c:6]:[n:7]:2:[n:8]:[c:9]:1>>[c:1]:1:[c:2](-[N:3]):[n:7]:[n:8]:[c:9]:1.[C:4](=[C:5]-[C:6]=[O:13])-[N:11](-[C:10])-[C:12]	1	25320
+[c:1]:[c:2]:1-[C:3](=[O:4])-[C:5](-[C:6])-[C:7]-[c:8]:1:[c:9]>>[C:3](=[O:4])(-[C:5](-[C:6])=[C:7])-[O:10].[c:1]:[c:2]:[c:8]:[c:9]	1	25336
+[c:1]:[c:2](-[C:3](-[c:4])(-[c:5])-[O:7]):[c:6]>>[C:3](-[c:4])(-[c:5])=[O:7].[c:1]:[c:2](:[c:6])-[Br:8]	1	25346
+[c:1]-[S:2](=[O:3])(=[O:4])-[S:5]-[c:6]>>[S:5]-[c:6].[c:1]-[S:2](=[O:3])(=[O:4])-[Br:7]	1	25360
+[c:1]:1:[n:2]:[n:3]:2:[c:4]:[c:5](:[c:6]:[n:7]:[c:8]:2:[c:9]:1)-[Br:10]>>[c:1]:1:[n:2]:[n:3]:[c:8](-[N:7]):[c:9]:1.[C:4](-[C:5](-[C:6]=[O:12])-[Br:10])=[O:11]	1	25393
+[n:1]:[c:3](:[c:2])-[N:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[n:1]:[c:3](:[c:2])-[N:4].[N:7]-[c:8].[C:5](=[O:6])(-[n:16]:1:[c:12]:[n:13]:[c:14]:[c:15]:1)-[n:17]:2:[c:11]:[n:10]:[c:9]:[c:18]:2	1	25395
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[c:7]):[n:8]>>[c:1]:[c:2](-[N:3]=[C:4]=[O:5]):[n:8].[N:6]-[c:7]	1	25402
+[c:1]:[c:2](-[C:3]-[N:4]):[s:5]>>[c:1]:[c:2](-[C:3](-[N:4])=[O:6]):[s:5]	1	25407
+[C:1](=[O:2])(-[O:3]-[c:4])-[Cl:5]>>[O:3]-[c:4].[C:1](=[O:2])(-[Cl:5])-[O:10]-[C:7](-[Cl:6])(-[Cl:8])-[Cl:9]	1	25414
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Br:10].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:11]	1	25432
+[c:1]-[O:2]-[P:3](-[O:4])-[O:5]-[c:6]>>[P:3](-[O:4])(-[Cl:7])-[Cl:8].[c:1]-[O:2].[O:5]-[c:6]	1	25441
+[c:1]-[O:6]-[C:3](-[C:2])(-[C:4])-[C:5]>>[c:1]-[O:6].[C:2]-[C:3](-[C:4])-[C:5]	1	25444
+[c:1]:1:[c:2]:[c:3](-[C:4]):[c:5]:[c:6](:[c:7]:1)-[c:9](:[c:8]):[c:10]>>[c:8]:[c:9]:[c:10].[c:1]:1:[c:2]:[c:5]:[c:3](-[C:4]):[c:6]:[c:7]:1	1	25476
+[n:1]:[c:3](:[c:2])-[N:4]-[C:5](=[O:6])-[N:7]>>[n:1]:[c:3](:[c:2])-[N:4].[C:5](=[O:6])(-[N:7])-[O:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1	1	25490
+[c:1]:1:[c:2]:[c:3]:2:[n:4]:[n:5]:[c:6](-[c:7]):[n:8]:2:[n:9]:[c:10]:1>>[c:1]:1:[c:2]:[c:3](-[N:4]-[N:5]):[n:8]:[n:9]:[c:10]:1.[C:6](-[c:7])(=[O:11])-[Cl:12]	1	25493
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:7](-[C:4](-[C:3])(-[C:5])-[C:6])=[O:8]	1	25499
+[c:1]:[c:2](-[N:3]-1-[N:4]=[C:5]-[c:6](:[c:7]):[c:9](:[c:8])-[C:10]-1=[O:11]):[n:12]:[c:13]:[c:14]>>[n:3]:1:[n:4]:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[c:10]:1-[O:11].[c:1]:[c:2](:[n:12]:[c:13]:[c:14])-[Br:15]	1	25512
+[s:1]:[c:2]:[c:3]-[C:4](-[C:5])=[O:6]>>[s:1]:[c:2]:[c:3]-[C:4](-[C:5])-[O:6]	1	25560
+[s:1]:[c:2]:[c:3]-[C:4](-[C:5])-[O:6]>>[s:1]:[c:2]:[c:3]-[C:4]=[O:6].[C:5]-[Mg:8]-[Br:7]	1	25561
+[c:1]:1-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]:1:[c:7]>>[c:1](-[C:2](=[O:3])-[C:4]-[C:5]-[Cl:8]):[c:6]:[c:7]	1	25569
+[C:1](=[O:2])(-[C:3]-1=[C:4]-[N:5]-[N:6]-[C:7]-1=[O:8])-[Cl:9]>>[C:1](=[O:2])(-[C:3]-1=[C:4]-[N:5]-[N:6]-[C:7]-1=[O:8])-[O:13].[Cl:9]-[S:11](=[O:10])-[Cl:12]	1	25582
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1>>[n:1]:1:[n:2]:[c:3](:[c:4]:[c:5]:1)-[C:7](=[O:6])-[O:8]	1	25583
+[n:1]:[c:2](-[N:3]-1-[C:4](=[O:5])-[C:6](-[O:7])=[C:8](-[C:9]=[O:10])-[C:11]-1-[c:12]):[s:13]>>[C:11](-[c:12])=[O:17].[n:1]:[c:2](-[N:3]):[s:13].[C:4](=[O:5])(-[C:6](=[O:7])-[C:8]-[C:9]=[O:10])-[O:16]-[C:15]-[C:14]	1	25593
+[C:1]-[C:2](-[c:3](:[c:4]):[c:5])=[O:6]>>[C:1]-[C:2]#[N:10].[O:6](-[C:7]-[C:12])-[C:8]-[C:9].[c:3](:[c:4])(:[c:5])-[Br:11]	1	25597
+[C:1]-[C:2]-1-[C:3]-[C:4]-[C:5](-[C:6])-[C:7]-[C:8]-1>>[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]):[c:7]:[c:8]:1	1	25598
+[n:1]:[c:2]:[c:3](-[O:4]-[C:6]):[c:5]>>[n:1]:[c:2]:[c:3](:[c:5])-[I:7].[O:4]-[C:6]	1	25611
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:2:[c:10]:[c:11]:1-[C:12](=[O:13])-[N:14]>>[C:1]-[C:2](-[C:11]-[C:12](=[O:13])-[N:14])=[O:15].[N:3]-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[C:10]=[O:16]	1	25613
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[C:10]-[C:11]=[C:12]):[c:13]:[c:14]:1>>[O:9]-[C:10]-[C:11]=[C:12].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:15]):[c:13]:[c:14]:1	1	25619
+[C:1]-[O:2]-[C:3](=[C:4](-[C:5])-[C:6])-[C:7]>>[O:2]-[C:3](=[C:4](-[C:5])-[C:6])-[C:7].[C:1]-[O:8]	1	25626
+[c:1]:[c:2](-[Cl:3]):[c:4]>>[c:1]:[c:2]:[c:4].[Cl:3]-[C:6]-[Cl:5]	1	25642
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[Mg:10]-[Br:9].[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[N:13](-[O:12]-[C:11])-[C:14]	1	25655
+[c:1](:[n:2]:[c:3](-[Cl:4]):[c:5]):[c:6]>>[c:1](:[n:2]:[c:3]:[c:5]):[c:6].[Cl:4]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	1	25695
+[C:1]-[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[c:2](:[n:3]:[c:4]:[c:5]):[c:6].[C:1]-[Li:7]	1	25698
+[N:1]-[c:2](:[c:3]):[c:5](:[c:4])-[O:6]>>[n:1]:1:[c:2](:[c:3]):[c:5](:[c:4]):[o:6]:[c:11]:1-[C:8](-[C:7])(-[C:9])-[C:10]	1	25738
+[n:1]:1:[c:2](-[C:3]=[O:4]):[c:5]:[n:6]:[c:7]:1>>[n:1]:1:[c:2]:[c:5]:[n:6]:[c:7]:1.[C:3](=[O:4])-[N:9](-[C:8])-[C:10]	1	25748
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+[C:1]#[C:2]-[C:3](-[C:4])(-[C:5])-[O:6]-[c:7]>>[C:1]#[C:2]-[C:3](-[C:4])(-[C:5])-[Cl:8].[O:6]-[c:7]	1	25958
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+[n:1]:[c:2]:[c:8]:[n:7]:[c:4](:[c:3]:[n:6]):[c:5]>>[n:1]:[c:2]:[c:8]:[n+:7](:[c:4](:[c:3]:[n:6]):[c:5])-[O-:9]	1	25979
+[o:1]:[c:2](-[C:3]-1=[N:4]-[C:5]-[C:6]-[O:7]-1):[c:8]>>[N:4]-[C:5]-[C:6]-[O:7].[o:1]:[c:2](-[C:3]#[N:9]):[c:8]	1	25998
+[N:1]-1-[C:2](=[O:3])-[c:4]:[c:6](:[n:5])-[N:7]-[C:8]-1=[N:9]-[C:10]>>[N:9]-[C:10].[N:1]-1-[C:2](=[O:3])-[c:4]:[c:6](:[n:5])-[N:7]=[C:8]-1-[Cl:11]	1	26003
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+[C:1]-1-[C:2]-[O:3]-[C:4](=[O:5])-[N:6]-1-[c:7](:[n:8]):[s:9]>>[C:1](-[C:2]-[O:3])-[N:6]-[c:7](:[n:8]):[s:9].[C:4](=[O:5])(-[O:11]-[C:18](-[Cl:10])(-[Cl:17])-[Cl:19])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16]	1	26038
+[C:1]-[N:3](-[C:2])-[c:4](:[c:5]):[c:6]>>[C:1]-[N:3]-[C:2].[c:4](:[c:5]):[c:6]	1	26046
+[N:1]-1-[C:2]=[N:3]-[C:4](-[O:5]-[C:6])=[C:7]-[C:8]-1=[O:9]>>[N:1]-1-[C:2]=[N:3]-[C:4](=[C:7]-[C:8]-1=[O:9])-[Cl:10].[O:5]-[C:6]	1	26056
+[N:1]-1-[C:2]=[N:3]-[C:4](-[C:5]-2-[C:6]-[C:7]-2)=[C:8]-[C:9]-1=[O:10]>>[N:1]-1-[C:2]=[N:3]-[C:4](=[C:8]-[C:9]-1=[O:10])-[Cl:11].[C:5]-1(-[C:6]-[C:7]-1)-[B:13](-[O:12])-[O:14]	1	26057
+[c:1]:[c:2](-[N:3]-1-[C:4]=[N:5]-[C:6](=[C:7]-[C:8]-1=[O:9])-[Cl:11]):[c:10]>>[c:1]:[c:2](:[c:10])-[B:13](-[O:12])-[O:14].[n:3]:1:[c:4]:[n:5]:[c:6](:[c:7]:[c:8]:1-[O:9])-[Cl:11]	1	26059
+[C:1]-[C:2]-1(-[C:3])-[O:4]-[C:5](-[N:6]-[c:7]:[c:8]-1)=[O:9]>>[C:1]-[C:2](-[C:3])(-[O:4])-[c:8]:[c:7]-[N:6].[C:5](=[O:9])(-[n:12]:1:[c:11]:[c:10]:[n:19]:[c:18]:1)-[n:13]:2:[c:14]:[c:15]:[n:16]:[c:17]:2	1	26073
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+[N:1]-1-[C:2]=[C:3](-[Br:4])-[N:5]-[C:6](=[N:7]-[C:8])-[C:9]-1=[O:10]>>[N:7]-[C:8].[N:1]-1-[C:2]=[C:3](-[Br:4])-[N:5]=[C:6](-[C:9]-1=[O:10])-[Br:11]	1	26122
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+[C:1]-[C:2](=[O:3])-[N:4]=[N+:5]=[N-:6]>>[C:1]-[C:2](=[O:3])-[O:7].[N-:4]=[N+:5]=[N-:6]	1	26147
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+[C:1]-1(=[N:2]-[c:3]:2:[c:4](:[n:5]:[c:6]:[n:7]:2)-[C:8](=[O:9])-[N:10]-1-[C:11]-[C:12])-[Cl:13]>>[C:11](-[C:12])-[Br:14].[c:1]:1(:[n:2]:[c:3]:2:[c:4](:[n:5]:[c:6]:[n:7]:2):[c:8](-[O:9]):[n:10]:1)-[Cl:13]	1	26563
+[C:1]-[c:2]:1:[c:3](-[C:4]-[C:5](=[O:6])-[O:7]):[n:8]:[c:9](-[c:10]):[o:11]:1>>[C:1]-[C:2](-[C:3](-[C:4]-[C:5](=[O:6])-[O:7])-[N:8]-[C:9](-[c:10])=[O:11])=[O:12]	1	26576
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+[C:1](=[O:2])-[N:3]-1-[C:4]-[C:5]-[O:6]-[C:7]-1(-[C:8])-[C:9]>>[C:1](=[O:2])-[N:3]-[C:4]-[C:5]-[O:6].[C:7](-[C:8])(-[C:9])(-[O:11]-[C:10])-[O:12]-[C:13]	1	26625
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+[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[N:6]-[S:7])-[N:9]-[c:8])=[C:10]-[O:11]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:12])=[C:10]-[O:11].[N:6]-[S:7].[c:8]-[N:9]	1	26694
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+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[n:6])-[c:8](:[c:7]:[n:10]):[n:9]>>[C:1]-[C:2]-[I:11].[N:3](-[C:4](=[O:5])-[n:6])-[c:8](:[c:7]:[n:10]):[n:9]	1	26733
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+[C:1](-[N:2]-[N:3]-[C:4](=[O:5])-[N:6]-[C:7])=[O:8]>>[C:4](=[O:5])=[N:6]-[C:7].[C:1](-[N:2]-[N:3])=[O:8]	1	26786
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+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]-1=[O:11]>>[C:1]-[N:2]-[C:10](-[N:8]-[C:9])=[O:11].[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[Cl:13])-[Cl:12]	1	26791
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+[C:1]-[O:2]-[C:3](-[c:4])-[c:5]>>[C:1]-[O:2].[C:3](-[c:4])(-[c:5])-[Cl:6]	1	26814
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+[O:1]-[C:2](=[O:3])-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1>>[O:1]-[C:2](=[O:3])-[Cl:9].[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1	1	26820
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+[n:1]:[c:2]:[c:3](-[C:4](-[N:5])=[O:9]):[c:6]:[n:7]>>[n:1]:[c:2]:[c:3](-[C:4](-[O:8]-[C:11]-[C:10])=[O:9]):[c:6]:[n:7].[N:5]	1	26858
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]-[C:6]):[c:7]>>[C:5](-[C:6])-[Zn+:9].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[Cl:8]	1	26870
+[c:1]:[c:2]:1-[C:3]=[C:4]-[C:5](-[N+:6](-[c:7]:1:[c:8])-[O-:10])=[O:11]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n+:6](:[c:7]:1:[c:8])-[O-:10].[F:9]-[C:20](-[C:13](=[O:12])-[O:14]-[C:15](=[O:11])-[C:16](-[F:17])(-[F:18])-[F:19])(-[F:21])-[F:22]	1	26877
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+[N:1](-[C:2](-[C:3])-[C:4])-[c:5]>>[N:1]-[c:5].[C:2](-[C:3])(-[C:4])-[I:6]	1	26904
+[C:1]-[C:2](-[C:3])-[N:4]-1-[N:5]=[C:6](-[c:7])-[c:8]:2:[c:9](:[c:10]:[c:11]:[c:12]:[n:13]:2)-[C:14]-1=[O:15]>>[C:1]-[C:2](-[C:3])-[I:16].[n:4]:1:[n:5]:[c:6](-[c:7]):[c:8]:2:[c:9](:[c:10]:[c:11]:[c:12]:[n:13]:2):[c:14]:1-[O:15]	1	26910
+[C:1]-[C:2](-[C:3])-[O:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[C:2](-[C:3])-[I:8].[O:4]-[c:5](:[n:6]):[c:7]	1	26913
+[C:1]-[C:2](-[C:3])-[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[n:8]>>[C:1]-[C:2](-[C:3])-[I:10].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[n:8]	1	26916
+[c:1]:1:[c:2]:[c:4](:[c:3]):[n:5]:[n:6]:1-[C:7](-[C:8])-[C:9]>>[C:7](-[C:8])(-[C:9])-[I:10].[c:1]:1:[c:2]:[c:4](:[c:3]):[n:5]:[n:6]:1	1	26921
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+[C:1]-[C:2](-[C:3])-[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:1>>[C:1]-[C:2](-[C:3])-[I:9].[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:1	1	26934
+[C:1]-[C:2](-[C:3])-[N:4]-1-[N:5]=[C:6](-[c:7](:[c:8]:[n:9]):[c:11]:[n:10])-[C:12]=[C:13]-[C:14]-1=[O:15]>>[C:1]-[C:2](-[C:3])-[I:16].[n:4]:1:[n:5]:[c:6](-[c:7](:[c:8]:[n:9]):[c:11]:[n:10]):[c:12]:[c:13]:[c:14]:1-[O:15]	1	26935
+[C:1]-[C:2](-[C:3])-[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[c:8]>>[C:1]-[C:2](-[C:3])-[I:10].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[c:8]	1	26937
+[C:1]-[C:2](-[C:3])-[N:4]-1-[C:5]=[C:6](-[C:7]=[C:8](-[O:9])-[C:10]-1=[O:11])-[Br:12]>>[C:1]-[C:2](-[C:3])-[I:13].[n:4]:1:[c:5]:[c:6](:[c:7]:[c:8](-[O:9]):[c:10]:1-[O:11])-[Br:12]	1	26939
+[C:1]-[C:2](-[C:3])-[N:4]-1-[C:5](=[O:6])-[N:7]-[c:8](:[n:9]):[c:10]-1>>[C:1]-[C:2](-[C:3])-[I:11].[N:4]-1-[C:5](=[O:6])-[N:7]-[c:8](:[n:9]):[c:10]-1	1	26940
+[C:1]-[C:2](-[C:3])-[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:1:[n:9]>>[C:1]-[C:2](-[C:3])-[I:10].[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:1:[n:9]	1	26941
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+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[I:9]	1	26975
+[c:1]-[N:5](-[C:3](-[C:2]=[O:8])=[O:4])-[C:6]-[C:7]>>[C:6](-[C:7])-[Cl:9].[c:1]-[N:5]-[C:3](-[C:2]=[O:8])=[O:4]	1	26990
+[c:1]-[C:2](=[N:3]-[N:4]-[C:5](-[N:6])=[O:7])-[C:8](=[O:9])-[N:10]>>[c:1]-[C:2](-[C:8](=[O:9])-[N:10])=[O:11].[N:3]-[N:4]-[C:5](-[N:6])=[O:7]	1	26991
+[n:1]:[c:2](-[N:3]):[c:4]:[n:5]>>[n:1]:[c:2](-[N:3]=[C:9]-[N:7](-[C:6])-[C:8]):[c:4]:[n:5]	1	27002
+[S:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[N:5].[S:1]=[C:9](-[O:8]-[C:7]-[C:6])-[S:10]	1	27009
+[N:1]-[C:7](=[C:5](-[C:3](-[N:2])=[O:4])-[O:6])-[C:8]>>[N:1]-[C:7](=[C:5](-[C:3](-[N:2])=[O:4])-[O:6]-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[C:8]	1	27018
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6](:[c:7]:[n:8]):[c:10]:[n:9]>>[C:1]-[C:2](=[O:3])-[N:4]-[c:6](:[c:7]:[n:8]):[c:10]:[n:9].[C:5]-[O:19]-[S:16](-[c:15]:1:[c:14]:[c:13]:[c:12](-[C:11]):[c:21]:[c:20]:1)(=[O:17])=[O:18]	1	27024
+[c:1]-[N:2]-1-[C:3]-[C:4](-[C:5](=[O:6])-[O:10])-[O:7]-[C:8]-1=[O:9]>>[c:1]-[N:2]-[C:3]-[C:4](-[C:5](=[O:6])-[O:10])-[O:7].[C:8](=[O:9])(-[n:12]:1:[c:11]:[c:20]:[n:19]:[c:18]:1)-[n:13]:2:[c:14]:[c:15]:[n:16]:[c:17]:2	1	27060
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1-[C:10]):[c:8]>>[C:1]-[N:2]=[C:3]=[S:11].[N:4]-[c:5](:[c:6](:[c:7])-[N:9]-[C:10]):[c:8]	1	27072
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[s:7]:1):[c:8]:[n:9]>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[s:7]:1)-[Cl:19].[c:1]:[c:2](:[c:8]:[n:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	1	27082
+[n:1]:[c:2](-[C:3]=[O:4]):[n:5]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:7]-[C:6]):[n:5]	1	27090
+[N:1]-[C:2](=[C:3](-[c:4](:[c:5]):[c:6])-[C:7](=[O:8])-[N:9])-[N:10]>>[N:1]-[C:2](=[C:3](-[C:7](=[O:8])-[N:9])-[Br:11])-[N:10].[c:4](:[c:5])(:[c:6])-[B:13](-[O:12])-[O:14]	1	27096
+[C:1]-[N:2]-1-[N:3]=[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])-[C:9]-[C:10]-1=[O:11]>>[C:1]-[N:2]-[N:3].[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])(-[C:9]-[C:10](=[O:11])-[O:14]-[C:13]-[C:12])=[O:15]	1	27108
+[n:1]:[c:2]-1:[c:3]-[N:4]=[C:5](-[C:6])-[C:7](=[O:8])-[N:9]-1-[C:10]>>[n:1]:[c:2](:[c:3]-[N:4])-[N:9]-[C:10].[C:5](-[C:6])(-[C:7](=[O:8])-[O:13]-[C:12]-[C:11])=[O:14]	1	27138
+[c:1]:[c:2](-[C:3](-[N:4])=[N:5]-[O:6]):[n:7]>>[c:1]:[c:2](-[C:3]#[N:4]):[n:7].[N:5]-[O:6]	1	27143
+[C:1]-[C:2](=[O:3])-[O:4]>>[O:4]-[C:6](-[C:5])-[C:7].[C:1]-[C:2]=[O:3]	1	27153
+[C:1]-[C:2](=[O:3])-[O:4]>>[O:4]-[C:6](-[C:5])-[C:7].[C:1]-[C:2]-[O:3]	1	27155
+[C:1](=[O:2])(-[C:3])-[O:4]>>[O:4]-[C:7](-[C:6])-[C:8].[C:1](-[C:3])#[N:5].[O:2]	1	27156
+[C:1]-[C:2](-[C:3])-[O:4]-[c:5]:1:[c:6]:[c:7](-[N:8]):[n:9]:[n:10]:1>>[C:1]-[C:2](-[C:3])-[O:11].[O:4]=[C:5]-1-[C:6]-[C:7](=[N:8])-[N:9]-[N:10]-1	1	27159
+[C:1]-[O:2]-[c:3](:[c:4]):[n:9](:[c:6]:[c:5]):[c:8]:[c:7]>>[C:1]-[O:2].[c:3](:[c:4])(:[n:9](:[c:6]:[c:5]):[c:8]:[c:7])-[F:10]	1	27162
+[c:1]:1:[c:2]:[c:3](-[O:4]-[C:5]):[n:6]:[c:7]:[n:8]:1>>[O:4]-[C:5].[c:1]:1:[c:2]:[c:3](:[n:6]:[c:7]:[n:8]:1)-[S:10]-[C:9]	1	27171
+[C:1]-[C:2](-[C:3])-[O:4]-[C:5]=[O:6]>>[C:1]-[C:2](-[C:3])-[O:7].[O:4]-[C:5]=[O:6]	1	27174
+[O:1]-[B:2](-[O:3])-[c:4]:1:[c:5]:[c:6]:[c:7](:[c:8]):[o:9]:1>>[O:1](-[B:2](-[O:3]-[C:17](-[C:18])-[C:19])-[O:13]-[C:11](-[C:10])-[C:12])-[C:14](-[C:15])-[C:16].[c:4]:1:[c:5]:[c:6]:[c:7](:[c:8]):[o:9]:1	1	27184
+[c:1]:1(:[c:2]:[c:3]:[c:4](:[c:5]):[s:6]:1)-[B:8](-[O:7])-[O:9]>>[O:7](-[B:8](-[O:9]-[C:17](-[C:18])-[C:19])-[O:13]-[C:11](-[C:10])-[C:12])-[C:14](-[C:15])-[C:16].[c:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[s:6]:1	1	27196
+[C:1](-[c:2])-[O:3]>>[C:1](-[c:2])(=[O:3])-[O:7]-[C:5](-[C:4])-[C:6]	1	27239
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1-[C:6](-[C:7])-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1.[C:6](-[C:7])(-[c:8])-[O:9]	1	27241
+[c:1]-[N:2]=[C:3](-[C:4])-[c:5]>>[c:1]-[N:2].[C:3](-[C:4])(-[c:5])=[O:6]	1	27249
+[c:1]-[N:2]-[C:3](-[C:4])-[c:5]>>[c:1]-[N:2]=[C:3](-[C:4])-[c:5]	1	27250
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+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[O:6])-[c:7]>>[N:3](-[C:4](=[O:5])-[O:6])-[c:7].[C:1]-[C:2]-[Br:8]	1	27262
+[O:1]-[C:2]=[O:3]>>[O:1](-[C:2]=[O:3])-[C:5](-[C:4])-[C:6]	1	27269
+[c:1](:[c:2]:[c:3](-[N:4]-1-[C:5]=[C:6]-[C:7]=[C:8]-[C:9]-1=[O:10]):[c:11]):[n:12]>>[c:1](:[c:2]:[c:3](:[c:11])-[Br:13]):[n:12].[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[O:10]	1	27279
+[C:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-1>>[C:1]-[N:2]-[C:3]-[C:4]-[C:5]-[Cl:6]	1	27293
+[N:1]-1-[C:2]-[C:3](=[C:4](-[C:5])-[N:7](-[C:8])-[C:9]-1=[O:10])-[C:6]>>[C:8]-[I:11].[N:1]-1-[C:2]-[C:3](=[C:4](-[C:5])-[N:7]-[C:9]-1=[O:10])-[C:6]	1	27307
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+[c:1](-[c:2]:1:[n:3]:[c:4](-[c:5]:[c:7]:[n:6]):[n:8]:[o:9]:1):[c:10]:[n:11]>>[c:1](-[C:2](=[O:12])-[O:13]):[c:10]:[n:11].[N:3]=[C:4](-[c:5]:[c:7]:[n:6])-[N:8]-[O:9]	1	27317
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]:[c:8]:[n:7]):[n:9]:1>>[O:4]-[C:5](-[c:6]:[c:8]:[n:7])=[O:10].[c:1]-[C:2](-[N:3]-[O:11])=[N:9]	1	27319
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+[c:1]:[c:2](-[O:3]):[n:4]>>[c:1]:[c:2](-[O:3]-[C:6](-[C:5])=[O:7]):[n:4]	1	27337
+[c:1]:[c:2](-[C:3](-[c:4](:[c:5]):[c:6])-[O:8]):[s:7]>>[c:4](:[c:5])(:[c:6])-[Br:9].[c:1]:[c:2](-[C:3]=[O:8]):[s:7]	1	27343
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Cl:10].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[B:12](-[O:11])-[O:13]	1	27347
+[N:1]-[C:9](-[N:8]-[C:5](=[C:4](-[C:2](=[O:3])-[O:11])-[C:7])-[C:6])=[O:10]>>[N:1]-[C:9](-[N:8])=[O:10].[C:2](=[O:3])(-[C:4](-[C:5](-[C:6])=[O:12])-[C:7])-[O:11]	1	27350
+[C:1]=[C:2]-[C:3]-[C:4](-[N:5](-[C:6])-[C:7])-[C:8]>>[C:1]=[C:2]-[C:3]-[C:4](-[C:8])=[O:9].[N:5](-[C:6])-[C:7]	1	27354
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:7]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1.[C:7]-[O:12]-[C:10](-[O:9]-[C:8])=[O:11]	1	27369
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5](=[O:6])-[O:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:11].[C:3](-[C:4]-[C:5](=[O:6])-[O:7])-[Zn:10]-[Br:9]	1	27374
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[O:4]=[C:5](-[c:6])-[Cl:8].[c:1]-[C:2](-[N:3]-[O:9])=[N:7]	1	27382
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]:[c:6]:[o:7]):[n:8]:[o:9]:1>>[c:1]-[C:2](=[O:10])-[O:11].[N:3]=[C:4](-[c:5]:[c:6]:[o:7])-[N:8]-[O:9]	1	27383
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[c:7]:1:[c:8]>>[c:1]:[c:2](-[N:3]):[c:7](-[C:5]#[N:6]):[c:8].[N:4](=[O:9])-[O:10]	1	27391
+[C:1](=[O:2])-[N:3]-1-[C:4]-[c:5]:[c:6]-[C:7]-1>>[C:1](=[O:2])-[N:3].[C:4](-[c:5]:[c:6]-[C:7]-[Br:9])-[Br:8]	1	27393
+[c:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:1]-[C:2](=[O:3])-[N:9](-[C:8]-[C:7])-[C:10]-[C:11].[c:4](:[c:5]):[c:6]	1	27424
+[c:1]:1:[c:2]:[c:3]:[n:4](-[C:5]-[C:6]):[c:7]:1:[c:8]:[n:9]>>[c:1]:1:[c:2]:[c:3]:[n:4]:[c:7]:1:[c:8]:[n:9].[C:5](-[C:6])-[Br:10]	1	27444
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]-[c:7]):[c:8]:1>>[N:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[Br:9]	1	27473
+[c:1]-[C:2](-[C:3](-[C:4])-[C:5])(-[C:6])-[O:7]>>[C:3](-[C:4])(-[C:5])-[Mg:9]-[Cl:8].[c:1]-[C:2](-[C:6])=[O:7]	1	27495
+[c:1]:[c:3](:[c:2])-[Si:4](-[C:5])-[C:6]>>[Si:4](-[C:5])(-[C:6])-[Cl:8].[c:1]:[c:3](:[c:2])-[Br:7]	1	27498
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+[c:1]:1:[c:2]:[n:3](:[c:4](:[n:5]):[c:6]:1)-[Si:8](-[C:7])(-[C:9])-[C:10]>>[C:7]-[Si:8](-[C:9])(-[C:10])-[Cl:11].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:5]):[c:6]:1	1	27507
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[Si:7](-[C:8])(-[C:9])-[C:10]>>[Si:7](-[C:8])(-[C:9])(-[C:10])-[Cl:11].[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	1	27509
+[C:1]-1=[N:2]-[O:3]-[C:4](=[O:5])-[N:6]-1-[c:7]>>[C:1](=[N:2]-[O:3])-[N:6]-[c:7].[C:4](=[O:5])(-[n:10]:1:[c:9]:[c:8]:[n:17]:[c:16]:1)-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	1	27539
+[C:1]-[Si:2](-[C:3])(-[C:4])-[n:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:1>>[C:1]-[Si:2](-[C:3])(-[C:4])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17].[n:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:1	1	27543
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[O:6]):[n:7]:[c:8]:1:[c:9]>>[c:1]:[c:2](-[N:3]):[c:8](-[N:7]):[c:9].[C:4](-[C:5](=[O:6])-[O:12]-[C:11]-[C:10])=[O:13]	1	27545
+[c:1]-[O:2]>>[c:1]-[O:2]-[Si:6](-[C:4](-[C:3])-[C:5])(-[C:7](-[C:8])-[C:9])-[C:10](-[C:11])-[C:12]	1	27549
+[c:1]:1:[c:2]:[n:3]:[c:4]:[o:5]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[o:5]:1)-[Si:9](-[C:7](-[C:6])-[C:8])(-[C:10](-[C:11])-[C:12])-[C:13](-[C:14])-[C:15]	1	27552
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[o:7]:1):[c:8]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[o:7]:1)-[B:10]-2-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15](-[C:16])(-[C:17])-[O:18]-2.[c:1]:[c:2](:[c:8])-[Br:9]	1	27553
+[c:1](:[c:2](-[C:3](-[c:4]:[c:5]:[n:6])-[O:9]):[c:7]):[n:8]>>[C:3](-[c:4]:[c:5]:[n:6])=[O:9].[c:1](:[c:2](:[c:7])-[Br:10]):[n:8]	1	27554
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1>>[c:1]:1:[c:2]:[n:3](:[c:4]:[c:5]:1)-[Si:10](-[C:8](-[C:7])-[C:9])(-[C:11](-[C:12])-[C:13])-[C:14](-[C:6])-[C:15]	1	27558
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[Si:9](-[C:7](-[C:6])-[C:8])(-[C:10](-[C:11])-[C:12])-[C:13](-[C:14])-[C:15]	1	27560
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:1:[c:6]>>[c:1]:1:[c:2]:[c:3]:[n:4](:[c:5]:1:[c:6])-[Si:10](-[C:8](-[C:7])-[C:9])(-[C:11](-[C:12])-[C:13])-[C:14](-[C:15])-[C:16]	1	27561
+[C:1]-[Si:2](-[C:3])(-[O:4]-[C:5])-[O:11]-[Si:8](-[O:7]-[C:6])(-[C:9])-[C:10]>>[C:1]-[Si:2](-[C:3])(-[O:11]-[Si:8](-[C:9])(-[C:10])-[Cl:13])-[Cl:12].[O:4]-[C:5].[C:6]-[O:7]	1	27565
+[c:1]:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1):[c:11]):[c:12]>>[c:5](:[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1)(:[c:11])-[B:15](-[O:14])-[O:16].[c:1]:[c:2]:[n:3]:[c:4](:[c:12])-[Cl:13]	1	27614
+[N:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[N:1]-[N:2].[C:3](=[O:4])=[N:5]-[c:6]	1	27671
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2]#[N:3].[O:4]-[C:6]-[C:5]	1	27677
+[c:1]-[C:2]-[P:3](=[O:4])(-[O:5])-[O:6]>>[c:1]-[C:2]-[Br:7].[P:3](-[O:4])(-[O:5])-[O:6]	1	27697
+[N:1](-[c:2](:[c:3]):[c:5]:[n:4])-[C:15](=[O:14])-[O:16]-[C:17]>>[c:2](:[c:3])(:[c:5]:[n:4])-[C:15](=[O:14])-[O:18].[N:1](=[N+:20]=[N-:19])-[P:21](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(=[O:22])-[c:23]:2:[c:7]:[c:6]:[c:26]:[c:25]:[c:24]:2.[O:16]-[C:17]	1	27732
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:8]:[n:7]):[c:9]:[n:10]:1>>[c:5](:[c:6])(:[c:8]:[n:7])-[B:13](-[O:12])-[O:14].[c:1]:1:[c:2]:[n:3]:[c:4](:[c:9]:[n:10]:1)-[Br:11]	1	27740
+[c:1]:[c:2](-[N:3](-[c:4])-[C:7](-[C:6])=[O:8]):[c:5]>>[c:1]:[c:2](:[c:5])-[I:9].[N:3](-[c:4])-[C:7](-[C:6])=[O:8]	1	27753
+[c:1]:[c:2](-[n:3]:1:[c:4](:[c:5]):[c:6]:[c:7]:[c:8]:1:[c:9]):[c:10]>>[c:1]:[c:2](:[c:10])-[Br:11].[n:3]:1:[c:4](:[c:5]):[c:6]:[c:7]:[c:8]:1:[c:9]	1	27757
+[N:1]-[C:6](-[C:3](-[C:2])-[C:4]-[c:5])=[O:7]>>[N:1]-[C:6](-[C:3]-[C:2])=[O:7].[C:4](-[c:5])-[Cl:8]	1	27798
+[n:1]:[c:2](-[C:3]-[N:4]-[C:5]):[c:6]:[s:7]>>[n:1]:[c:2](-[C:3]-[Cl:8]):[c:6]:[s:7].[N:4]-[C:5]	1	27807
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1>>[c:1]:[c:2]:1:[c:3](:[c:4]:[n:5]:[n:6]:1)-[C:8](=[O:7])-[O:9]	1	27816
+[C:1]-[S:2]-[c:3](:[c:4]):[n:8](:[c:6]:[c:5]):[c:7]>>[c:3](:[c:4])(:[n:8](:[c:6]:[c:5]):[c:7])-[Cl:9].[C:1]-[S:2]	1	27820
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[c:5](-[c:6]):[n:7]:[c:8]:2:[c:9]:1:[c:10]:[n:11]:[n:12]:2)-[O:13]>>[N:7]-[c:8]:1:[c:9]:[c:10]:[n:11]:[n:12]:1.[C:1](=[O:2])(-[C:3](-[C:4]-[C:5](-[c:6])=[O:15])=[O:14])-[O:13]	1	27836
+[C:1]-[O:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[O:10].[C:1](-[C:8]-[Cl:7])-[Cl:9].[O:2]-[n:3]:1:[c:14]:2:[c:13]:[c:12]:[c:11]:[c:16]:[c:15]:2:[n:17]:[n:18]:1	1	27838
+[C:1](=[O:2])(-[c:3])-[O:4]>>[C:1](-[c:3])#[N:10].[O:2]=[C:8](-[O:7]-[C:6]-[C:5])-[C:9].[O:4]	1	27839
+[N:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6](-[c:7](:[c:8]:[n:9]):[n:10]):[n:11]:1>>[C:4](=[C:5]-[C:6](-[c:7](:[c:8]:[n:9]):[n:10])=[O:15])-[N:13](-[C:12])-[C:14].[N:1]-[C:2](=[N:3])-[N:11]	1	27882
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]):[n:8]:[c:9]:[c:10]>>[c:1]:[c:2](:[n:8]:[c:9]:[c:10])-[Br:11].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[B:13](-[O:12])-[O:14]	1	27900
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:7]-[C:6].[N:4]-[C:5]	1	27901
+[C:1]-[C:2]-1-[O:3]-[C:4]-1(-[C:5])-[C:6]>>[C:1]-[C:2]=[C:4](-[C:5])-[C:6].[O:3]-[O:10]-[C:8](-[C:7])=[O:9]	1	27911
+[C:1]-[n:2]:1:[c:3](-[C:4]):[c:5]:[c:6]:[c:7]:1-[C:8]>>[C:3](-[C:4])(-[C:5]-[C:6]-[C:7](-[C:8])=[O:10])=[O:9].[C:1]-[N:2]	1	27913
+[n:1]:1(-[c:2](:[n:3]):[c:4]):[c:6](-[C:5]):[c:7]:[c:8]:[c:9]:1-[C:10]>>[C:5]-[C:6](-[C:7]-[C:8]-[C:9](-[C:10])=[O:12])=[O:11].[N:1]-[c:2](:[n:3]):[c:4]	1	27917
+[C:1]-[C:2](=[C:3]-[C:4](-[C:5])=[O:7])-[C:6]>>[C:1]-[C:2](=[C:3]-[C:4]-[C:5])-[C:6].[O:7]=[C:9](-[C:8])-[O:10]	1	27940
+[c:1]-[N:2](-[c:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[I:7].[c:1]-[N:2]-[c:3]	1	27962
+[c:1]:[c:2](:[c:3])-[I:4]>>[I:4]-[N:10]-1-[C:8](-[C:6](-[C:5])(-[C:7])-[N:13](-[C:11]-1=[O:12])-[I:14])=[O:9].[c:1]:[c:2]:[c:3]	1	27970
+[O:1]-[c:2].[c:3]-[C:4]-[O:5]>>[O:1](-[c:2])-[C:4](-[c:3])=[O:5]	1	27973
+[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[B:8](-[O:7])-[O:9]>>[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[Cl:25].[O:7]-1-[B:8](-[O:9]-[C:18](-[C:15]-1(-[C:16])-[C:17])(-[C:19])-[C:20])-[B:14]-2-[O:13]-[C:11](-[C:10])(-[C:12])-[C:22](-[O:21]-2)(-[C:23])-[C:24]	1	27991
+[n:1]:[c:2]:[c:3](:[c:4])-[B:7](-[O:6])-[O:8]>>[C:5]-[C:15]-1(-[C:10](-[C:9])(-[C:11])-[O:12]-[B:13](-[B:7](-[O:6])-[O:8])-[O:14]-1)-[C:16].[n:1]:[c:2]:[c:3]:[c:4]	1	28046
+[N:1]-1-[C:2]=[C:3](-[C:4](=[C:5](-[C:6])-[C:8]-1)-[C:7])-[B:10](-[O:9])-[O:11]>>[O:9]-[B:10](-[O:11])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21].[N:1]-1-[C:2]=[C:3](-[C:4](=[C:5](-[C:6])-[C:8]-1)-[C:7])-[Br:12]	1	28049
+[C:1]-[C:2]-1=[C:3](-[C:4]=[C:5]-[C:6]-[N:7]-1)-[B:9](-[O:8])-[O:10]>>[O:8]-[B:9](-[O:10])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[C:1]-[C:2]-1=[C:3](-[C:4]=[C:5]-[C:6]-[N:7]-1)-[Br:11]	1	28050
+[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1)-[B:7](-[O:6])-[O:8]>>[O:6]-[B:7](-[O:8])-[B:17]-1-[O:16]-[C:14](-[C:9](-[C:10])(-[C:11])-[O:18]-1)(-[C:13])-[C:15].[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1)-[Br:12]	1	28057
+[c:1]:[c:2](:[c:3]:[n:4])-[B:6](-[O:5])-[O:7]>>[O:5]-[B:6](-[O:7])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16].[c:1]:[c:2](:[c:3]:[n:4])-[Cl:17]	1	28059
+[C:1]-1(=[C:2]-[N:3]-[C:4]-[C:5]=[C:6]-1)-[B:8](-[O:7])-[O:9]>>[O:7]-[B:8](-[O:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[C:1]-1(=[C:2]-[N:3]-[C:4]-[C:5]=[C:6]-1)-[Br:10]	1	28077
+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:1)-[B:7](-[O:6])-[O:8]>>[O:6]-[B:7](-[O:8])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1	1	28123
+[c:1](:[c:2]:[c:3](:[c:4])-[B:7](-[O:6])-[O:8]):[s:5]>>[O:6]-[B:7](-[O:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:1](:[c:2]:[c:3](:[c:4])-[Br:9]):[s:5]	1	28180
+[n:1]:[c:2]:1:[c:3]:[c:4](-[B:5](-[O:6])-[O:7]):[c:8]:[n:9]:1>>[B:5](-[O:6])(-[O:7])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[n:1]:[c:2]:1:[c:3]:[c:4](:[c:8]:[n:9]:1)-[Br:10]	1	28200
+[c:1](:[c:2]:[n:9])-[C:5](=[C:4]-[N:3])-[B:6](-[O:7])-[O:8]>>[B:6](-[O:7])(-[O:8])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:1](:[c:2]:[n:9])-[C:5](=[C:4]-[N:3])-[Br:10]	1	28264
+[n:1]:[c:2]:[c:3](-[B:4](-[O:5])-[O:6]):[c:7]:[n:8]>>[B:4](-[O:5])(-[O:6])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[n:1]:[c:2]:[c:3](:[c:7]:[n:8])-[Br:9]	1	28278
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2]=[C:3](-[C:7])-[B:18]-1-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-1)(-[C:21])-[C:22].[c:4](:[c:5])(:[c:6])-[O:9]-[S:24](=[O:8])(-[C:10](-[F:11])(-[F:12])-[F:13])=[O:23]	1	28284
+[c:1]:1:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[o:7]:[n:8]:[c:9]:1>>[C:3](=[C:4]-[C:5])(-[C:6])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:1]:1:[c:2](:[o:7]:[n:8]:[c:9]:1)-[Br:10]	1	28285
+[C:1]=[C:2](-[c:3](:[c:4]):[c:5])-[C:6](=[O:7])-[N:8]>>[C:1]=[C:2](-[C:6](=[O:7])-[N:8])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[c:3](:[c:4])(:[c:5])-[I:18]	1	28287
+[n:1]:[c:2]:[c:3](-[C:4](=[C:5]-[C:6])-[C:7]):[c:8]>>[C:4](=[C:5]-[C:6])(-[C:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[n:1]:[c:2]:[c:3](:[c:8])-[I:18]	1	28293
+[c:1]:[c:3](:[c:2])-[C:4]=[C:5]-[C:6]>>[C:4](=[C:5]-[C:6])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[C:7])(-[O:14]-1)-[C:16].[c:1]:[c:3](:[c:2])-[Br:8]	1	28296
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[B:6](-[O:7])-[O:8]>>[B:6](-[O:7])(-[O:8])-[O:12]-[C:10](-[C:9])-[C:11].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[I:13]	1	28307
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-[B:5](-[O:6])-[O:10]-[C:8](-[C:7])-[C:9].[c:1]:[c:2](:[c:3])-[I:11]	1	28312
+[c:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[B:6]-[O:7]>>[c:1]-[C:2](-[C:3])(-[C:4])-[O:12]-[C:11]-[O:10]-[C:9]-[C:8].[O:5]-1-[B:6]-[O:7]-[C:16](-[C:13]-1(-[C:14])-[C:15])(-[C:17])-[C:18]	1	28313
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[s:6]:[c:7]:[c:8]:1>>[c:1]:1:[c:2](:[s:6]:[c:7]:[c:8]:1)-[B:14]-2-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-2)(-[C:17])-[C:18].[c:3](:[c:4])(:[c:5])-[Br:9]	1	28316
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[n:5]:[c:6]:1):[c:7](-[N:8]):[n:9]:[c:10](:[c:11]:2:[c:12]):[c:13]>>[N:9]-[c:10](:[c:11](:[c:12])-[B:14]-1-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19](-[C:20])(-[C:21])-[O:22]-1):[c:13].[c:1]:1:[c:2]:[c:3](:[c:4](:[n:5]:[c:6]:1)-[C:7]#[N:8])-[Cl:23]	1	28323
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[n:5]:[c:6]:1):[c:7](-[N:8]):[n:9]:[c:10](:[c:11]:2:[c:12]):[c:13]>>[N:9](-[c:10](:[c:11](:[c:12])-[B:21]-1-[O:22]-[C:23](-[C:24])(-[C:25])-[C:26](-[C:27])(-[C:28])-[O:29]-1):[c:13])-[C:19](-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])=[O:20].[c:1]:1:[c:2]:[c:3](:[c:4](:[n:5]:[c:6]:1)-[C:7]#[N:8])-[Cl:30]	1	28332
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:9]:[c:8]:[n:10]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19].[c:6](:[c:7])(:[c:9]:[c:8]:[n:10])-[Cl:20]	1	28339
+[n:1]:[c:2](:[c:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1):[c:9]):[c:10]>>[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[B:19]-2-[O:18]-[C:16](-[C:11](-[C:12])(-[C:13])-[O:20]-2)(-[C:15])-[C:17].[n:1]:[c:2](:[c:3](:[c:9])-[Br:14]):[c:10]	1	28340
+[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:8]>>[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[B:11]-2-[O:10]-[C:18](-[C:9])(-[C:13](-[O:12]-2)(-[C:14])-[C:15])-[C:17].[c:6](:[c:7])(:[c:8])-[Br:16]	1	28341
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2):[c:11]):[n:12]:[c:13]:1>>[c:5](:[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1)(:[c:11])-[B:18]-2-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-2)(-[C:21])-[C:22].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:12]:[c:13]:1)-[Cl:23]	1	28344
+[n:1]:[c:2](:[c:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1):[c:9]):[c:10]>>[n:1]:[c:2](:[c:3](:[c:9])-[B:19]-1-[O:18]-[C:16](-[C:11](-[C:12])(-[C:13])-[O:20]-1)(-[C:15])-[C:17]):[c:10].[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[Br:14]	1	28345
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:19]	1	28356
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[n:9]:1>>[c:5](:[c:6])(:[c:7])-[B:10]-1-[O:11]-[C:12](-[C:13])(-[C:14])-[C:17](-[C:16])(-[C:18])-[O:19]-1.[c:1]:1:[c:2]:[n:3]:[c:4](:[c:8]:[n:9]:1)-[I:15]	1	28357
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6]:2:[c:7]:[n:8]:[c:9](:[c:10]):[n:13]:2:[c:12]:[c:11]):[c:14]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:14]:1)-[B:20]-2-[O:19]-[C:17](-[C:16])(-[C:18])-[C:22](-[O:21]-2)(-[C:23])-[C:24].[c:6]:1(:[c:7]:[n:8]:[c:9](:[c:10]):[n:13]:1:[c:12]:[c:11])-[Br:15]	1	28362
+[c:1]:[c:2](-[C:3](=[C:4])-[C:6](-[N:5])=[O:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[C:3](=[C:4])(-[C:6](-[N:5])=[O:7])-[Br:9]	1	28370
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[n:7]>>[c:3](:[c:4])(:[c:5])-[B:23]-1-[O:22]-[C:20](-[C:8](-[C:9])(-[C:10])-[O:24]-1)(-[C:19])-[C:21].[c:1]:[c:2](:[c:6]:[n:7])-[O:14]-[S:12](=[O:11])(=[O:13])-[C:15](-[F:16])(-[F:17])-[F:18]	1	28371
+[C:1]-[C:5](-[c:3]:[c:2]:[s:4])-[O:6]>>[C:1]-[C:5](-[c:3]:[c:2]:[s:4])=[O:6]	1	28380
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-1-[O:6]-[B:7](-[O:8])-[c:9]:[c:10]-1>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:11].[C:5](=[O:6])-[c:10]:[c:9]-[B:7]-1-[O:8]-[C:16](-[C:13](-[C:12])(-[C:14])-[O:15]-1)(-[C:17])-[C:18]	1	28384
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:11]):[c:12].[C:6]-[N:7]=[C:8](-[N:9])-[c:10]>>[n:1]:[c:2]:[c:3](:[c:12])-[B:18]-1-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-1)(-[C:21])-[C:22].[c:4](:[c:5])(:[c:11])-[Br:13].[C:6]-[N:7]-[C:8](=[N:9])-[c:10]	1	28391
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[n:6]:[c:7]:[s:8]:1):[c:9]>>[n:1]:[c:2]:[c:3](:[c:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:4]:1(:[n:5]:[n:6]:[c:7]:[s:8]:1)-[Br:10]	1	28393
+[c:1]:[c:2]:1:[n:3]:[c:4](-[B:5](-[O:6])-[O:7]):[c:8]:[c:9]:1>>[B:5](-[O:6])(-[O:7])-[c:17]:1:[c:16]:[c:15]:2:[c:14]:[c:13]:[c:12]:[c:11](-[Cl:10]):[c:19]:2:[n:18]:1.[c:1]:[c:2]:1:[n:3]:[c:4]:[c:8]:[c:9]:1	1	28407
+[C:1]-[C:2]-[C:3]>>[C:1]-[C:2](-[C:3])-[Br:4]	1	28410
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[n:8]:1):[c:9]>>[c:3]:1(:[c:4]:[c:5]:[c:6](:[c:7]):[n:8]:1)-[Br:10].[c:1]:[c:2](:[c:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	1	28426
+[O:1]=[C:2](-[N:3]-[C:4])-[N:5]-[c:6]>>[N:5]-[c:6].[O:1]=[C:2](-[O:11]-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10])-[Cl:12].[N:3]-[C:4]	1	28437
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5](:[c:6]):[c:7]):[c:8]):[c:9]>>[c:1]:[c:2](:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:3](:[n:4]:[c:5](:[c:6]):[c:7])(:[c:8])-[Br:19]	1	28440
+[n:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]:[n:7]):[c:8]):[c:9]:1>>[c:5](:[c:6]:[n:7])(:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[n:1]:1:[c:2]:[n:3]:[c:4](:[c:9]:1)-[I:19]	1	28454
+[c:1](:[c:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8]):[s:9]>>[c:1](:[c:2]:[c:3](:[c:8])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]):[s:9].[c:4](:[c:5]:[n:6])(:[c:7])-[Br:10]	1	28469
+[c:1]:[c:2](-[c:3]:1:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[c:11]:1):[c:12]>>[c:1]:[c:2](:[c:12])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21].[c:3]:1(:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[c:11]:1)-[I:22]	1	28471
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:9]:1:[n:8]):[c:10]>>[c:1]:[c:2](:[c:10])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:3]:1(:[c:4]:[n:5]:[c:6](:[c:7]):[n:9]:1:[n:8])-[I:20]	1	28473
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[n:6]:[c:7]:[c:8]:1):[c:9]:[n:10]>>[c:4]:1(:[n:5]:[n:6]:[c:7]:[c:8]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20].[n:1]:[c:2]:[c:3](:[c:9]:[n:10])-[Br:11]	1	28480
+[N:1]-1-[C:2]=[C:3](-[c:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2)-[C:10]=[C:11](-[N:12])-[C:13]-1>>[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[B:19]-2-[O:18]-[C:16](-[C:15])(-[C:17])-[C:21](-[O:20]-2)(-[C:22])-[C:23].[N:1]-1-[C:2]=[C:3](-[C:10]=[C:11](-[N:12])-[C:13]-1)-[Br:14]	1	28481
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[c:6]:2:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:2>>[c:6]:1(:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[Br:21]	1	28483
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[c:5]:[n:6]:[c:7]:[c:9](:[c:8]):[n:10]:2):[c:11]:[n:12]:1>>[c:4]:1(:[c:5]:[n:6]:[c:7]:[c:9](:[c:8]):[n:10]:1)-[Br:13].[n:1]:1:[c:2]:[c:3](:[c:11]:[n:12]:1)-[B:18]-2-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-2)(-[C:21])-[C:22]	1	28493
+[c:1](:[n:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:8]:[n:7]):[c:9]):[c:10]>>[c:4](:[c:5]:[n:6])(:[c:8]:[n:7])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:1](:[n:2]:[c:3](:[c:9])-[Br:11]):[c:10]	1	28507
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]:[n:7]):[c:8]):[s:9]:1>>[c:5](:[c:6]:[n:7])(:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:1]:1:[c:2]:[c:3]:[c:4](:[s:9]:1)-[I:19]	1	28513
+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]:1>>[n:1]:1:[c:2]:[c:3](:[c:7]:[n:8]:1)-[B:13]-2-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-2)(-[C:16])-[C:17].[c:4](:[c:5])(:[c:6])-[I:18]	1	28525
+[n:1]:[c:2]:[c:3](-[c:4]:1:[c:5]:[n:6]:[c:7]:[s:8]:1):[c:9]>>[c:4]:1(:[c:5]:[n:6]:[c:7]:[s:8]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19].[n:1]:[c:2]:[c:3](:[c:9])-[Br:10]	1	28539
+[C:1]-[C:2](-[N:3]-[C:7](=[O:6])-[O:8]-[C:9]-[c:10])-[C:4]>>[C:1]-[C:2](-[C:4])-[C:7](=[O:6])-[O:8].[C:9]-[c:10].[N:3](=[N+:12]=[N-:11])-[P:13](=[O:14])(-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)-[c:21]:2:[c:5]:[c:25]:[c:24]:[c:23]:[c:22]:2	1	28541
+[C:1]-[C:2]>>[C:1](-[C:2])-[Cl:3]	1	28547
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]=[C:5]-[C:4].[O:3]-[C:6]	1	28548
+[n:1]:[c:2]:[c:3](:[c:4])-[Br:5]>>[Br:5]-[N:15]-1-[C:7](-[C:6])(-[C:8])-[C:9](=[O:10])-[N:11](-[Br:12])-[C:13]-1=[O:14].[n:1]:[c:2]:[c:3]:[c:4]	1	28553
+[C:1]-[C:2](-[c:3](:[n:4]):[c:5])-[Br:6]>>[Br:6]-[N:16]-1-[C:8](-[C:7])(-[C:9])-[C:10](=[O:11])-[N:12](-[Br:13])-[C:14]-1=[O:15].[C:1]-[C:2]-[c:3](:[n:4]):[c:5]	1	28559
+[c:1](:[n:2]):[c:8]:1:[n:3]:[c:4]:[c:5]:[c:6]:1-[Br:7]>>[Br:7]-[N:12]-1-[C:10](=[O:11])-[N:18](-[Br:9])-[C:16](-[C:14]-1(-[C:13])-[C:15])=[O:17].[c:1](:[n:2]):[c:8]:1:[n:3]:[c:4]:[c:5]:[c:6]:1	1	28560
+[C:1]-[C:2]-1(-[O:3])-[C:4]-[C:5]-1>>[C:1]-[C:2](=[O:3])-[O:9]-[C:8].[C:4](-[C:5])-[Mg:7]-[Br:6]	1	28566
+[C:1]-[C:2](=[C:3]-[C:4])-[C:5]-[O:6]>>[C:1]-[C:2](=[C:3]-[C:4])-[C:5]=[O:6]	1	28609
+[C:1]-1-[C:2]=[C:3](-[F:4])-[C:5](-[N:6])=[N:7]-1>>[C:1]-1-[C:2]=[C:3](-[F:4])-[C:5](-[N:7]-1)=[O:8].[N:6]	1	28610
+[C:1]=[C:2]-[C:3]-[C:4](-[O:5])-[C:6]>>[C:1]=[C:2]-[C:3]-[C:4](=[O:5])-[C:6]	1	28611
+[C:1]-[C:4]-1=[C:3](-[C:2])-[N:8]-[N:7]-[C:5]-1=[O:6]>>[C:1]-[C:4](-[C:3](-[C:2])=[O:9])-[C:5](=[O:6])-[N:7]-[N:8]	1	28613
+[N:1]-[C:2](-[c:3])-[C:4]-[O:5]>>[C:2]-1(-[c:3])-[C:4]-[O:5]-1.[N:1]	1	28616
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6](-[O:7])-[C:8])-[N:9]>>[C:3](=[O:4])(-[C:5](=[C:6](-[O:7])-[C:8])-[N:9])-[O:10].[C:1]-[N:2]	1	28621
+[c:1]-[O:2]-[C:3](=[O:4])-[c:5]:[c:7]:[n:6]>>[c:1]-[O:2].[C:3](=[O:4])(-[c:5]:[c:7]:[n:6])-[O:8]	1	28625
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]:[c:6](:[c:7]):[c:8]>>[c:1]:[c:2]:[n:5]:[c:6](:[c:7]):[c:8].[C:3](#[N:4])-[C:9]	1	28635
+[C:1]-1(-[c:2])-[C:4](-[C:3])-[O:5]-1>>[C:1](-[c:2])=[C:4]-[C:3].[O:5]-[O:8]-[C:7](=[O:6])-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13](-[Cl:14]):[c:15]:1	1	28637
+[C:1]-[c:6]:1:[c:5](-[C:3](-[C:2])=[O:4]):[c:9]:[n:8]:[n:7]:1>>[C:1]-[C:6](-[C:5](-[C:3](-[C:2])=[O:4])=[C:9]-[N:11](-[C:10])-[C:12])=[O:13].[N:7]-[N:8]	1	28739
+[o:1]:[c:2]:1:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[n:8]:[c:9]:1>>[o:1]:[c:2]:1:[c:3](:[n:6]:[c:7]:[n:8]:[c:9]:1)-[Cl:10].[N:4]-[C:5]	1	28777
+[C:1]-[C:2](=[O:3])-[c:4]>>[C:1]-[C:2]-[c:4].[O:3]=[C:6](-[C:5])-[O:7]	1	28780
+[c:1]:1:[c:2](-[N:3](-[C:4])-[c:7]:[c:5]:[n:6]):[c:8]:[c:9]:[n:10]:[c:11]:1>>[N:3](-[C:4])-[c:7]:[c:5]:[n:6].[c:1]:1:[c:2](:[c:8]:[c:9]:[n:10]:[c:11]:1)-[Cl:12]	1	28797
+[C:1]-[N:3](-[C:2])-[N:4]=[O:5]>>[C:1]-[N:3]-[C:2].[N:4](-[O:5])=[O:6]	1	28814
+[c:1]:1:[c:2]:[n:3](-[c:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:2):[c:10]:[c:11]:1>>[c:1]:1:[c:2]:[n:3]:[c:10]:[c:11]:1.[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[Cl:12]	1	28823
+[n:1]:1:[c:2]:[c:3](-[C:4](-[c:5])-[O:8]):[c:6]:[c:7]:1>>[n:1]:1:[c:2]:[c:3]:[c:6]:[c:7]:1.[C:4](-[c:5])=[O:8]	1	28828
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[c:5]:[c:7](:[c:6])-[C:8](-[c:9])=[N:10]-1>>[C:1]-[C:2](-[C:3])=[C:4]-[c:5]:[c:7]:[c:6].[C:8](-[c:9])#[N:10]	1	28861
+[c:1]:[c:2]-1:[c:3]-[C:4]-[C:5](-[C:6])(-[C:7])-[N:8]=[C:9]-1-[c:10]>>[c:1]:[c:2]:[c:3]-[C:4]-[C:5](-[C:6])-[C:7].[N:8]#[C:9]-[c:10]	1	28863
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5](=[O:6])-[N:7]>>[C:3](=[O:4])(-[C:5](=[O:6])-[N:7])-[O:8].[C:1]-[N:2]	1	28873
+[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[Cl:6])-[N:7]=[C:8]-1>>[N:1]-1-[C:2](=[O:3])-[C:4]-[C:5](-[N:7]=[C:8]-1)=[O:13].[Cl:6]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	1	28885
+[C:1]-[N:2](-[C:3])-[C:6]-[C:5](-[N:4])=[O:7]>>[C:1]-[I:8].[N:2](-[C:3])-[C:6]-[C:5](-[N:4])=[O:7]	1	28887
+[C:1]=[C:2](-[C:3])-[c:4](:[c:5]:[n:6]):[c:7]>>[C:1]=[C:2](-[C:3])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16].[c:4](:[c:5]:[n:6])(:[c:7])-[Cl:17]	1	28905
+[C:1]=[C:2](-[C:3])-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1>>[C:1]=[C:2](-[C:3])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:19]	1	28906
+[C:1](=[C:2])-[B:4](-[O:3])-[O:5]>>[C:1](=[C:2])-[B:4]-1-[O:3]-[C:7](-[C:6])(-[C:8])-[C:9](-[O:5]-1)(-[C:10])-[C:11]	1	28908
+[C:1]-[C:2]=[C:3](-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[C:10]>>[C:1]-[C:2]=[C:3](-[C:10])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:20]	1	28909
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[C:3](=[C:4]-[C:5])(-[C:6])-[B:10]-1-[O:9]-[C:17](-[C:8])(-[C:12](-[O:11]-1)(-[C:13])-[C:14])-[C:16].[c:1]:[c:2](:[c:7])-[Cl:15]	1	28910
+[N:1]-1-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7](=[C:8](-[C:9])-[C:11]-1)-[C:10]>>[N:1]-1-[C:2]=[C:3](-[C:7](=[C:8](-[C:9])-[C:11]-1)-[C:10])-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21].[c:4](:[c:5])(:[c:6])-[Br:12]	1	28914
+[c:1]:[c:2](-[C:3]-1=[C:4]-[N:5]-[C:6]-[C:7](-[N:8])=[C:9]-1):[c:10]>>[c:1]:[c:2](:[c:10])-[Br:11].[C:3]-1(=[C:4]-[N:5]-[C:6]-[C:7](-[N:8])=[C:9]-1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20]	1	28915
+[C:1]-[C:2]=[C:3](-[c:4]:1:[n:5]:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:1)-[C:11]>>[c:4]:1(:[n:5]:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:1)-[Cl:17].[C:1]-[C:2]=[C:3](-[C:11])-[B:12]-1-[O:13]-[C:14](-[C:15])(-[C:16])-[C:19](-[C:18])(-[C:20])-[O:21]-1	1	28917
+[c:1]:1:[c:2]:[c:3](-[C:4](=[C:5]-[C:6])-[C:7]):[n:8]:[c:9]:[n:10]:1>>[C:4](=[C:5]-[C:6])(-[C:7])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:1]:1:[c:2]:[c:3](:[n:8]:[c:9]:[n:10]:1)-[Cl:20]	1	28920
+[c:1]:1:[c:2]:[c:3](-[C:4](=[C:5]-[C:6])-[C:7]):[c:8]:[c:9]:[n:10]:1>>[C:4](=[C:5]-[C:6])(-[C:7])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:1]:1:[c:2]:[c:3](:[c:8]:[c:9]:[n:10]:1)-[I:20]	1	28921
+[C:1]-[C:2]=[C:3](-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:[n:9]:1)-[C:10]>>[C:1]-[C:2]=[C:3](-[C:10])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:4]:1(:[c:5]:[n:6]:[c:7]:[c:8]:[n:9]:1)-[Br:11]	1	28924
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5](=[C:6]-[C:7])-[C:8]):[n:9]:1>>[C:5](=[C:6]-[C:7])(-[C:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:1]:1:[c:2]:[c:3]:[c:4](:[n:9]:1)-[I:19]	1	28925
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]:[n:6]):[c:8]:[n:7])-[C:9]>>[C:1]-[C:2]=[C:3](-[C:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:4](:[c:5]:[n:6])(:[c:8]:[n:7])-[Br:10]	1	28929
+[C:1]=[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]=[C:2]-[B:10]-1-[O:9]-[C:7](-[C:6])(-[C:8])-[C:12](-[O:11]-1)(-[C:13])-[C:14].[c:3](:[c:4])(:[c:5])-[I:15]	1	28938
+[S:1]-[C:2]-[C:3]-1-[O:4]-[B:5](-[O:6])-[c:7]:[c:8]-1>>[C:3](=[O:4])-[c:8]:[c:7]-[B:5]-1-[O:6]-[C:13](-[C:10](-[C:9])(-[C:11])-[O:12]-1)(-[C:14])-[C:15].[S:1]-[C:2]	1	28945
+[c:1]:[c:2]:1:[n:3]:[c:4](-[N:5]):[c:6]:2:[n:7]:[c:8]:[c:9]:[c:10]:[c:11]:2:[c:12]:1:[c:13]>>[c:1]:[c:2](-[N:5]-[C:28](-[O:27]-[C:24](-[C:23])(-[C:25])-[C:26])=[O:29]):[c:12](:[c:13])-[B:30]-1-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18](-[C:19])(-[C:20])-[O:21]-1.[N:3]#[C:4]-[c:6]:1:[n:7]:[c:8]:[c:9]:[c:10]:[c:11]:1-[Cl:22]	1	28959
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[c:7](:[c:8]):[c:10](:[c:9]):[s:11]>>[c:7](:[c:8])(:[c:10](:[c:9]):[s:11])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[I:21]	1	28977
+[n:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[c:6]:2:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:2):[c:12]:1>>[n:1]:[c:2]:1:[n:3]:[c:4]:[c:5](:[c:12]:1)-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21].[c:6]:1(:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[I:22]	1	28978
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:19]	1	28988
+[c:1]:1:[n:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:1>>[c:5](:[c:6])(:[c:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[c:1]:1:[n:2]:[n:3]:[c:4](:[c:8]:1)-[O:21]-[S:19](=[O:18])(=[O:20])-[C:22](-[F:23])(-[F:24])-[F:25]	1	28997
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[B:12]-1-[O:3]-[C:5](-[C:6])(-[C:7])-[C:9](-[C:8])(-[C:10])-[O:11]-1	1	29003
+[c:1]:[c:2](-[C:3](=[N:4]-[N:5])-[c:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16].[C:3](=[N:4]-[N:5])(-[c:6])-[Cl:17]	1	29016
+[c:1]:[c:2]:1:[s:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[c:9]:1:[n:10]>>[c:5](:[c:6])(:[c:7])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:1]:[c:2]:1:[s:3]:[c:4](:[c:8]:[c:9]:1:[n:10])-[Br:11]	1	29021
+[c:1]:[c:2](-[C:3]-1=[C:4]-[N:5]-[C:6]-[C:7](-[O:8])=[C:9]-1):[c:10]>>[c:1]:[c:2](:[c:10])-[B:19]-1-[O:18]-[C:16](-[C:11](-[C:12])(-[C:13])-[O:20]-1)(-[C:15])-[C:17].[C:3]-1(=[C:4]-[N:5]-[C:6]-[C:7](-[O:8])=[C:9]-1)-[Br:14]	1	29022
+[c:1]:[c:2](-[C:3]-[c:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[B:10]-1-[O:9]-[C:7](-[C:6])(-[C:8])-[C:12](-[O:11]-1)(-[C:13])-[C:14].[C:3](-[c:4])-[Cl:15]	1	29030
+[c:1]:[c:2](-[C:3]-[c:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[B:11]-1-[O:10]-[C:8](-[C:7])(-[C:9])-[C:13](-[O:12]-1)(-[C:14])-[C:15].[C:3](-[c:4])-[Br:6]	1	29031
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]):[c:10]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[c:10]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Cl:20]	1	29042
+[N:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[c:7](:[c:8]):[n:9]>>[c:4](:[c:5])(:[c:6])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[N:1]-[C:2]=[C:3](-[c:7](:[c:8]):[n:9])-[Br:10]	1	29045
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5](:[c:6]):[c:7]):[c:8]):[c:9]:[n:10]>>[c:1]:[c:2](:[c:9]:[n:10])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:3](:[n:4]:[c:5](:[c:6]):[c:7])(:[c:8])-[O:23]-[S:21](=[O:20])(=[O:22])-[C:24](-[F:25])(-[F:26])-[F:27]	1	29048
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6]:2:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:2):[c:12]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:12]:1)-[B:18]-2-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-2)(-[C:21])-[C:22].[c:6]:1(:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Br:13]	1	29049
+[n:1]:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[n:9]>>[n:1]:[c:2]:[c:3]:[c:4](:[c:8]:[n:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:5](:[c:6])(:[c:7])-[I:19]	1	29065
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]:[c:7]:[n:8]):[c:9]>>[c:5](:[c:6]:[c:7]:[n:8])(:[c:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:1]:[c:4](:[c:3]:[n:2])-[Br:10]	1	29068
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[c:8]:1:[n:9]>>[c:4](:[c:5])(:[c:6])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:1]:1:[n:2]:[c:3](:[c:7]:[c:8]:1:[n:9])-[Br:10]	1	29084
+[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5](-[c:6](:[c:7]):[c:8]):[c:9]:[n:10]):[c:11]:1>>[c:6](:[c:7])(:[c:8])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21].[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5](:[c:9]:[n:10])-[Br:12]):[c:11]:1	1	29091
+[O:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[B:9]-1-[O:8]-[C:6](-[C:5])(-[C:7])-[C:11](-[O:10]-1)(-[C:12])-[C:13].[O:1]-[O:14]	1	29104
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[o:8]:1>>[c:5](:[c:6])(:[c:7])-[B:17]-1-[O:16]-[C:14](-[C:9](-[C:10])(-[C:11])-[O:18]-1)(-[C:13])-[C:15].[c:1]:1:[c:2]:[c:3]:[c:4](:[o:8]:1)-[Br:12]	1	29134
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[n:7]:[c:8]:[c:9]:1):[c:10]>>[c:1]:[c:2](:[c:10])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:3]:1(:[n:4]:[c:5](:[c:6]):[n:7]:[c:8]:[c:9]:1)-[Cl:20]	1	29135
+[n:1]:[n:2]:1:[c:3](-[c:4](:[c:5]):[c:13]):[c:14]:[n:15]:[c:16]:1:[c:17].[c:6]-[C:7]-2=[N:8]-[O:9]-[C:10](=[O:11])-[N:12]-2>>[c:4](:[c:5])(:[c:13])-[B:23]-1-[O:22]-[C:20](-[C:19])(-[C:21])-[C:25](-[O:24]-1)(-[C:26])-[C:27].[c:6]-[C:7]=2-[N:8]-[O:9]-[C:10](=[O:11])-[N:12]=2.[n:1]:[n:2]:1:[c:3](:[c:14]:[n:15]:[c:16]:1:[c:17])-[Br:18]	1	29141
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:3]:1(:[n:4]:[n:5]:[c:6]:[n:7]:1)-[Br:9]	1	29171
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Br:10]	1	29194
+[C:1]-1-[O:2]-[C:3]=[C:4](-[c:5](:[c:6]):[c:7])-[C:8]-1=[O:9]>>[c:5](:[c:6])(:[c:7])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[C:1]-1-[O:2]-[C:3]=[C:4](-[C:8]-1=[O:9])-[Br:10]	1	29196
+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7](:[c:8]:1):[c:10]:[n:9]>>[c:4](:[c:5])(:[c:6])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[n:1]:1:[c:2]:[c:3](:[c:7](:[c:8]:1):[c:10]:[n:9])-[I:20]	1	29208
+[n:1]:[c:2]:[c:3](-[c:4]:1:[c:5]:[n:6]:[c:8](:[c:7]):[n:9]:1):[c:10]>>[n:1]:[c:2]:[c:3](:[c:10])-[B:14]-1-[O:13]-[C:11](-[C:12])(-[C:16](-[O:15]-1)(-[C:17])-[C:18])-[C:20].[c:4]:1(:[c:5]:[n:6]:[c:8](:[c:7]):[n:9]:1)-[Br:19]	1	29216
+[c:1]:1:[c:2](:[c:3]):[n:6](:[c:5]:[c:4]):[c:7](-[c:8](:[c:9]):[c:10]):[n:11]:1>>[c:8](:[c:9])(:[c:10])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21].[c:1]:1:[c:2](:[c:3]):[n:6](:[c:5]:[c:4]):[c:7](:[n:11]:1)-[Br:12]	1	29231
+[c:1]-[N:2]-1-[C:3](=[O:4])-[C:5]=[C:6]-2-[C:7](-[Cl:8])=[C:9]-[C:10]=[C:11]-[N:12]-2-[C:13]-1=[O:14]>>[c:1]-[N:2]-[C:3](=[O:4])-[C:5]-[c:6]:1:[c:7](-[Cl:8]):[c:9]:[c:10]:[c:11]:[n:12]:1.[C:13](=[O:14])(-[n:17]:1:[c:16]:[c:15]:[n:24]:[c:23]:1)-[n:18]:2:[c:19]:[c:20]:[n:21]:[c:22]:2	1	29234
+[c:1]:[c:2](-[C:3]-1=[C:4]-[N:5]-[C:6](=[O:7])-[C:8](-[N:9]-[c:10])=[N:11]-1):[c:12]>>[c:1]:[c:2](:[c:12])-[B:13]-1-[O:14]-[C:15](-[C:16])(-[C:17])-[C:20](-[C:19])(-[C:21])-[O:22]-1.[C:3]-1(=[C:4]-[N:5]-[C:6](=[O:7])-[C:8](=[N:9]-[c:10])-[N:11]-1)-[Br:18]	1	29243
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1):[c:8]>>[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:1)-[B:13]-2-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-2)(-[C:16])-[C:17].[c:1]:[c:2](:[c:8])-[Cl:18]	1	29255
+[N:1]-[C:2]=[C:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)-[c:9]>>[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[B:19]-2-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14](-[C:15])(-[C:16])-[O:17]-2.[N:1]-[C:2]=[C:3](-[c:9])-[Br:18]	1	29261
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2):[c:9]:[c:10]:1>>[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20].[n:1]:1:[c:2]:[c:3](:[c:9]:[c:10]:1)-[Br:11]	1	29265
+[C:1]-1(=[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[C:7]=[C:8]-1)-[B:10](-[O:9])-[O:11]>>[c:1]:1(:[c:2]:[n:3]:[c:5](-[O:6]-[C:12]):[c:7]:[c:8]:1)-[B:10](-[O:9])-[O:11].[C:4]-[I:13]	1	29276
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]):[o:10]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[o:10]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Cl:20]	1	29281
+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1-[c:6](:[c:7]:[n:8]):[c:9]>>[c:6](:[c:7]:[n:8])(:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1-[I:19]	1	29283
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+[C:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:7]-[C:8]>>[O:7]-[C:8].[C:1]-[C:2](=[O:3])-[C:4]-1-[C:5](=[O:6])-[O:15]-[C:10](-[C:9])(-[C:11])-[O:12]-[C:13]-1=[O:14]	1	29305
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+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5](:[c:6](-[C:7]):[n:8]:1)-[C:9](-[C:10])=[O:11])-[O:12]>>[C:1]-[C:2]-1=[C:3]-[C:4](=[O:12])-[O:17]-[C:14](-[C:13])(-[C:15])-[O:16]-1.[C:5](=[C:6](-[C:7])-[N:8])-[C:9](-[C:10])=[O:11]	1	29317
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+[c:1]:[c:2](-[N:3]-1-[C:4]=[C:5](-[c:6](:[n:7]):[n:8])-[C:9]=[C:10]-[C:11]-1=[O:12]):[c:13]>>[c:1]:[c:2](:[c:13])-[I:14].[n:3]:1:[c:4]:[c:5](-[c:6](:[n:7]):[n:8]):[c:9]:[c:10]:[c:11]:1-[O:12]	1	29337
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+[N:1]-[C:2]-[C:3]-1=[C:4](-[C:5])-[N:6]-[N:7]-[C:8]-1=[O:9]>>[N:1]#[C:2]-[C:3]-1=[C:4](-[C:5])-[N:6]-[N:7]-[C:8]-1=[O:9]	1	29539
+[N+:1](-[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8])(=[O:9])-[O-:10]>>[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8].[N+:1](-[O:9])(-[O-:10])=[O:11]	1	29543
+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-1-[C:8](-[F:9])-[F:10]>>[C:1]-[C:2]=1-[N:3]-[N:4]-[C:5](=[O:6])-[N:7]=1.[C:8](-[F:9])(-[F:10])-[Cl:11]	1	29544
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+[C:1](-[C:2])=[C:3](-[C:4])-[C:5]-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[C:1](-[C:2])=[C:3](-[C:4])-[C:5]-[Br:9]	1	29589
+[C:1]-[c:2]:1:[c:3](-[C:4]-[C:5](=[O:6])-[O:7]):[c:8](:[c:9]):[c:11](:[c:10]):[c:12](:[n:13]:1)-[O:14]>>[C:1]-[C:2]-1=[C:3](-[C:4]-[C:5](=[O:6])-[O:7])-[c:8](:[c:9]):[c:11](:[c:10])-[C:12](-[N:13]-1-[O:15])=[O:14]	1	29611
+[C:1](-[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8])=[O:9]>>[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8].[C:1](=[O:9])-[N:11](-[C:10])-[C:12]	1	29612
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+[c:1]:[c:2]:1-[C:3](=[O:4])-[C:5](-[C:6](=[O:7])-[O:8])=[C:9]-[N:10](-[C:11]-[C:12])-[c:13]:1:[c:14]>>[C:11](-[C:12])-[Br:15].[c:1]:[c:2]:1:[c:3](-[O:4]):[c:5](-[C:6](=[O:7])-[O:8]):[c:9]:[n:10]:[c:13]:1:[c:14]	1	29625
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+[C:1]-[C:2](-[N:3]=[N+:10]=[N-:9])-[C:4](=[C:5](-[C:6])-[I:8])-[N:7]>>[C:1]-[C:2](-[C:4](=[C:5](-[C:6])-[I:8])-[N:7])-[Br:11].[N-:3]=[N+:10]=[N-:9]	1	29702
+[C:1](-[C:2]#[C:3])-[O:4]-[C:5](-[C:6]-[C:7])-[O:8]>>[C:1](-[C:2]#[C:3])-[O:4].[C:5](=[C:6]-[C:7])-[O:8]	1	29705
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+[c:1]:[c:11](:[n:2])-[N:10]-[C:9]=[C:5](-[C:3](=[O:4])-[O:12])-[C:6](=[O:7])-[O:8]>>[c:1]:[c:11](:[n:2])-[N:10].[C:3](=[O:4])(-[C:5](-[C:6](=[O:7])-[O:8])=[C:9]-[O:14]-[C:13])-[O:12]	1	29719
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+[n:1]:1-[C:2]-[C:3]-[N:4](-[c:5])-[c:6]:1:[n:7]>>[n:1](-[C:2]-[C:3]-[O:8]):[c:6](-[N:4]-[c:5]):[n:7]	1	29734
+[C:1](-[N:2]-[C:6](=[O:5])-[C:7](-[F:8])(-[F:9])-[F:10])-[C:3](=[O:4])-[O:11]>>[C:1](-[N:2])-[C:3](=[O:4])-[O:11].[O:5]=[C:6](-[C:7](-[F:8])(-[F:9])-[F:10])-[O:14]-[C:13](=[O:12])-[C:15](-[F:16])(-[F:17])-[F:18]	1	29754
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+[c:1]:1(:[n:2]:[c:3](:[c:4]):[c:6](:[c:5]):[c:7](-[N:8]-[C:9]):[n:10]:1)-[Cl:11]>>[N:8]-[C:9].[Cl:11]-[P:15](=[O:14])(-[Cl:16])-[Cl:17].[C:1]-1(-[N:2]-[c:3](:[c:4]):[c:6](:[c:5])-[C:7](-[N:10]-1)=[O:12])=[O:13]	1	29873
+[C:1]-[C:2]-[N:3]-1-[C:4]=[C:5]-[C:6]=[C:7](-[O:8])-[C:9]-1=[O:10]>>[C:1]-[C:2]-[I:11].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7](-[O:8]):[c:9]:1-[O:10]	1	29882
+[C:1]-[C:2]-[N:3]-1-[C:4]=[C:5](-[C:6](-[C:7])=[O:15])-[C:9](-[C:8])=[C:10](-[C:11]#[N:14])-[C:12]-1=[O:13]>>[C:1]-[C:2]-[I:16].[n:3]:1:[c:4]:[c:5](-[C:6](-[C:7])=[O:15]):[c:9](-[C:8]):[c:10](-[C:11]#[N:14]):[c:12]:1-[O:13]	1	29885
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]=[N:6]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5]=[N:6])-[O:9]-[C:8]-[C:7]	1	29889
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[c:19]:2:[c:17](:[c:16]:[c:15](:[c:9](-[S:10](=[O:11])(=[O:12])-[O:13]):[c:20]:2-[C:21])-[C:14])-[C:18]	1	29891
+[N:1]-[C:2](=[O:3])-[O:4]-[C:5]-[O:6]-[C:7](=[O:8])-[C:9]=[C:10]>>[N:1]-[C:2](=[O:3])-[O:4]-[C:5]-[Cl:11].[O:6]-[C:7](=[O:8])-[C:9]=[C:10]	1	29900
+[N:1]-[C:2](=[O:3])-[O:4]-[c:5]>>[N:1]-[C:2](=[O:3])-[F:6].[O:4]-[c:5]	1	29902
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[C:6]=[C:7]-[O:9]):[n:8]:1>>[C:6]=[C:7]-[O:9].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:8]:1)-[Cl:10]	1	29913
+[c:1]:[c:2](-[C:3]-[S:4]-[c:5]:1:[n:6]:[c:7](:[c:8](:[c:9]):[n:11]:1):[c:10]):[n:12]>>[c:1]:[c:2](-[C:3]-[O:16]-[C:14](-[C:13])=[O:15]):[n:12].[S:4]=[C:5]-1-[N:6]-[c:7](:[c:8](:[c:9])-[N:11]-1):[c:10]	1	29914
+[c:1]:[c:6](:[n:5]:[c:4](:[c:2]):[c:3])-[c:7](:[n:8]:[c:9]:[c:10]):[c:11]>>[c:7](:[n:8]:[c:9]:[c:10])(:[c:11])-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[c:1]:[c:6](:[n:5]:[c:4](:[c:2]):[c:3])-[Cl:25]	1	29919
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[c:6](:[n:7]:[c:8]:[c:9]):[c:10]>>[c:6](:[n:7]:[c:8]:[c:9])(:[c:10])-[Sn:23](-[C:14]-[C:15]-[C:16]-[C:17])(-[C:22]-[C:21]-[C:20]-[C:19])-[C:24]-[C:11]-[C:12]-[C:13].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Br:18]	1	29920
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]:[n:10]>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Sn:23](-[C:14]-[C:15]-[C:16]-[C:17])(-[C:22]-[C:21]-[C:20]-[C:19])-[C:24]-[C:11]-[C:12]-[C:13].[c:1]:[c:2](:[c:9]:[n:10])-[Br:18]	1	29922
+[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1-[c:6]:2:[c:7]:[c:8]:[n:9]:[n:10]:2>>[c:6]:1(:[c:7]:[c:8]:[n:9]:[n:10]:1)-[Sn:12](-[C:11]-[C:24]-[C:23]-[C:22])(-[C:13]-[C:14]-[C:15]-[C:16])-[C:17]-[C:18]-[C:19]-[C:20].[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1-[Br:21]	1	29924
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[s:7]:1):[n:8]:[c:9]:[c:10]>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[s:7]:1)-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[c:1]:[c:2](:[n:8]:[c:9]:[c:10])-[Br:11]	1	29927
+[c:1]:1:[c:2]:[c:3](-[c:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:2):[c:10]:[n:11]:1>>[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[c:1]:1:[c:2]:[c:3](:[c:10]:[n:11]:1)-[I:25]	1	29929
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1):[c:10]>>[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[n:1]:[c:2]:[c:3](:[c:10])-[Br:11]	1	29930
+[N:1]-[C:2](=[O:3])-[C:4](-[c:5]:1:[n:6]:[c:7]:[c:8]:[s:9]:1)=[C:10]>>[N:1]-[C:2](=[O:3])-[C:4](=[C:10])-[Br:11].[c:5]:1(:[n:6]:[c:7]:[c:8]:[s:9]:1)-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24]	1	29931
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:8]:[n:7]):[s:9]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[s:9]:1)-[Sn:20](-[C:11]-[C:12]-[C:13]-[C:14])(-[C:19]-[C:18]-[C:17]-[C:16])-[C:21]-[C:22]-[C:23]-[C:10].[c:5](:[c:6])(:[c:8]:[n:7])-[Br:15]	1	29932
+[n:1]:1:[c:2](-[S:3]-[c:4]:2:[n:5]:[c:6](-[c:7]):[c:8]:[s:9]:2):[n:10]:[c:11]:[c:12]:1>>[n:1]:1:[c:2](:[n:10]:[c:11]:[c:12]:1)-[Br:13].[S:3]=[C:4]-1-[N:5]-[C:6](-[c:7])=[C:8]-[S:9]-1	1	29941
+[C:1]-[C:2]-[N:3](-[C:4])-[C:7]-[C:6]=[C:5]>>[C:1]-[C:2]-[I:8].[N:3](-[C:4])-[C:7]-[C:6]=[C:5]	1	29945
+[C:1]-[C:2]-[n:3]:1:[n:4]:[n:5]:[n:6]:[c:7]:1>>[C:1]-[C:2]-[I:8].[n:3]:1:[n:4]:[n:5]:[n:6]:[c:7]:1	1	29959
+[C:1]-[C:2]-[O:3]-[C:4](=[C:5](-[C:6])-[C:7])-[C:9]=[C:8]>>[C:1]-[C:2]-[I:10].[O:3]-[C:4](=[C:5](-[C:6])-[C:7])-[C:9]=[C:8]	1	29960
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[O:6]>>[C:1]-[N:2].[N:5]-[O:6].[C:3](=[O:4])(-[n:9]:1:[c:8]:[c:7]:[n:16]:[c:15]:1)-[n:10]:2:[c:11]:[c:12]:[n:13]:[c:14]:2	1	29970
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6]-[N:7])-[C:8]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5](=[C:6]-[N:7])-[C:8])-[O:9]	1	29988
+[N:1]-[C:2](-[c:3]:[c:4]:[n:5])=[S:10]>>[N:1]-[C:2](-[c:3]:[c:4]:[n:5])=[O:11].[S:6]-1-[P:7]-2(-[S:8]-[P:13]-3(=[S:12])-[S:14]-[P:15](-[S:9]-2)(=[S:16])-[S:17]-[P:18]-1(=[S:19])-[S:20]-3)=[S:10]	1	29992
+[c:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[N:6]=[C:7]-1-[c:8]:[c:9]:[n:10]>>[c:1]-[N:2]-[C:7](-[c:8]:[c:9]:[n:10])=[S:14].[C:3](=[O:4])(-[N:5]-[N:6])-[O:13]-[C:12]-[C:11]	1	29993
+[C:1]-[N:2]-[C:3]-[c:4](:[n:5]):[n:6]>>[C:1]-[N:2].[C:3](-[c:4](:[n:5]):[n:6])=[O:7]	1	29994
+[O:1]-[c:2]:1:[c:3](-[C:4]):[c:5](:[n:6]:[c:7]:[c:8]:1)-[O:9]>>[O:1]-[C:2]-1=[C:3](-[C:4])-[C:5](-[N+:6](-[C:7]=[C:8]-1)-[O-:10])=[O:9]	1	30014
+[C:1]-[N:2]-[C:3]=[C:4]-[C:5](=[O:6])-[N:7]>>[C:1]-[N:2].[C:3](=[C:4]-[C:5](=[O:6])-[N:7])-[O:9]-[C:8]	1	30016
+[C:1]-[C:2]-[C:3](-[O:4])-[c:5]>>[C:1]-[C:2]-[Mg:7]-[Cl:6].[C:3](=[O:4])-[c:5]	1	30020
+[C:1]-[C:2]-1-[C:3]-[C:4]-[C:5]-[N:6]-[C:7]-1>>[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:7]:1	1	30026
+[n:1]:[c:7]:[c:3](:[n:2])-[C:4]-[S:5]-[c:6]>>[n:1]:[c:7]:[c:3](:[n:2])-[C:4]-[Cl:8].[S:5]-[c:6]	1	30031
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2-[c:11](:[c:12]-1:[c:13]):[c:14]>>[C:1]-[C:2]-[I:15].[n:3]:1:[c:4](-[O:5]):[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2:[c:11](:[c:12]:1:[c:13]):[c:14]	1	30041
+[C:1]-[C:2]-[N:3]-1-[C:4]=[C:5](-[C:6](=[O:7])-[N:8])-[C:9](=[O:10])-[C:11](-[c:12])=[C:13]-1-[C:14]>>[C:1]-[C:2]-[I:15].[n:3]:1:[c:4]:[c:5](-[C:6](=[O:7])-[N:8]):[c:9](-[O:10]):[c:11](-[c:12]):[c:13]:1-[C:14]	1	30049
+[C:1]-[C:2]-[O:3]-[C:4](=[C:5]-[N:6])-[C:7]=[O:8]>>[C:1]-[C:2]-[I:9].[O:3]-[C:4](=[C:5]-[N:6])-[C:7]=[O:8]	1	30050
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:2:[c:7](-[N:8]):[n:9]:[c:10]:[n:11]:[c:12]:1:2>>[C:1]-[C:2]-[I:13].[n:3]:1:[c:4]:[n:5]:[c:6]:2:[n:11]:[c:10]:[n:9]:[c:7](-[N:8]):[c:12]:1:2	1	30051
+[C:1]-[C:2]-[C:3](-[c:4])-[c:5]>>[C:1]-[C:2]-[I:6].[C:3](-[c:4])-[c:5]	1	30092
+[C:1]-[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1>>[C:1]-[C:2]-[I:8].[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1	1	30101
+[C:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[c:6](:[c:7](:[c:8]):[n:10]:1-[C:11]):[c:9]>>[C:1]-[C:2]-[I:12].[S:3]=[C:4]-1-[N:5]-[c:6](:[c:7](:[c:8])-[N:10]-1-[C:11]):[c:9]	1	30106
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7]>>[C:1]-[C:2]-[I:9].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7]	1	30111
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[C:6](-[C:7](=[O:8])-[O:17])=[C:9](-[O:10])-[c:11]:2:[n:12]:[c:13]:[c:14]:[c:15]:[c:16]-1:2>>[C:1]-[C:2]-[I:18].[n:3]:1:[c:4](-[O:5]):[c:6](-[C:7](=[O:8])-[O:17]):[c:9](-[O:10]):[c:11]:2:[n:12]:[c:13]:[c:14]:[c:15]:[c:16]:1:2	1	30112
+[C:1]-[C:2]-[N:3](-[c:4])-[S:5]>>[C:1]-[C:2]-[I:6].[N:3](-[c:4])-[S:5]	1	30114
+[C:1]-[C:2]-[N:3]-[c:4]:[c:5]:[s:6]>>[C:1]-[C:2]-[I:7].[N:3]-[c:4]:[c:5]:[s:6]	1	30116
+[C:1]-[C:2]-[O:3]-[C:4]-[C:5]=[C:6]>>[C:1]-[C:2]-[I:7].[O:3]-[C:4]-[C:5]=[C:6]	1	30120
+[C:1]-[C:2](-[C:3]-[C:4])(-[C:5](=[O:6])-[O:7])-[O:8]>>[C:3](-[C:4])-[I:9].[C:1]-[C:2](-[C:5](=[O:6])-[O:7])-[O:8]	1	30121
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]-1>>[C:1]-[C:2]-[I:10].[N:3]-1-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]-1	1	30124
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6])-[C:7]=[O:8]>>[C:5](-[C:6])-[I:9].[N:1]-[C:2](=[O:3])-[N:4]-[C:7]=[O:8]	1	30125
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[C:6](-[N+:7])=[C:8](-[N:9])-[N:10]=[C:11]-1-[C:12]>>[C:1]-[C:2]-[I:13].[n:3]:1:[c:4](-[O:5]):[c:6](-[N+:7]):[c:8](-[N:9]):[n:10]:[c:11]:1-[C:12]	1	30127
+[C:1]-[N:2]-[C:3](-[C:4]#[N:5])(-[C:6])-[C:7]>>[C:1]-[N:2].[C:4]#[N:5].[C:3](-[C:6])(-[C:7])=[O:8]	1	30150
+[c:1]:1:[c:2](:[n:3]:[c:4](-[N:5]-[C:6]):[n:7]:1):[c:8]>>[N:5]-[C:6].[c:1]:1:[c:2](:[n:3]:[c:4](:[n:7]:1)-[Br:9]):[c:8]	1	30170
+[C:1]-[N:2]-[c:3](:[c:4]):[c:6]:[c:5]:[n:7]>>[C:1]-[N:2].[c:3](:[c:4])(:[c:6]:[c:5]:[n:7])-[Cl:8]	1	30191
+[c:1]-[C:2]-[C:3]-[C:4]>>[C:3]-[C:4].[c:1]-[C:2]-[Br:5]	1	30206
+[C:1]-[N:2]-[c:3]:1:[n:4]:[n:5]:[c:6]:[c:7]:1:[c:8]:[n:9]>>[C:1]-[N:2].[c:3]:1(:[n:4]:[n:5]:[c:6]:[c:7]:1:[c:8]:[n:9])-[I:10]	1	30207
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5]:[c:6](-[c:7](:[c:8]):[c:9]):[n:10]:[c:11]:1-[O:12]>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5])-[C:6](=[O:12])-[N:15](-[C:14]-[C:13])-[C:16]-[C:17].[c:7](:[c:8])(:[c:9])-[C:11]#[N:10]	1	30223
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5](-[c:6])-[S:7](=[O:8])(=[O:9])-[c:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[Br:11].[S:7](=[O:8])(=[O:9])(-[c:10])-[Cl:12].[N:5]-[c:6]	1	30226
+[N:1]-[c:2]:1:[n:3]:[s:4]:[c:5](-[N:6]):[c:7]:1-[C:8]#[N:9]>>[N:1]-[C:2](-[N:3])=[C:7](-[C:5](=[S:4])-[N:6])-[C:8]#[N:9]	1	30228
+[c:1]:[c:2]:1:[c:3](:[c:4]:[n:5]:[c:6]:1:[c:7])-[C:8]>>[c:1]:[c:2]:1-[C:3](-[C:4]-[N:5]-[c:6]:1:[c:7])-[C:8]	1	30231
+[C:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[o:8]:2):[c:9](:[n:10]:1)-[O:11]>>[C:1]-[C:2]#[N:10].[C:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[o:8]:1)-[C:9](=[O:11])-[N:14](-[C:13]-[C:12])-[C:15]-[C:16]	1	30234
+[c:1]:[c:2](-[N:3]):[n:4]>>[c:1]:[c:2](-[N:3]-[C:7]-[C:6]=[C:5]):[n:4]	1	30235
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[n:6]:[n:7]:1):[s:8]>>[c:1]:[c:2](-[C:3]#[N:7]):[s:8].[N-:4]=[N+:6]=[N-:5]	1	30255
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[c:6]:[c:7]:[n:8]):[n:9]>>[n:1]:[c:2](-[N+:3](=[O:13])-[O-:14]):[n:9].[C:4](=[O:5])(-[c:6]:[c:7]:[n:8])-[O:12]-[C:11]-[C:10]	1	30260
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](-[c:6]):[n:7]:[o:8]:1):[s:9]>>[c:1]:[c:2](-[C:3](=[O:10])-[O:11]):[s:9].[N:4]-[C:5](-[c:6])=[N:7]-[O:8]	1	30263
+[S:1]-[C:2]-1=[C:3](-[C:4])-[N:5]-2-[C:6](-[N:7]-[N:8]=[C:9]-2-[C:10]=[C:11]-1)=[O:12]>>[S:1]-[c:2]:1:[c:3](-[C:4]):[n:5]:[c:9](-[N:8]-[N:7]):[c:10]:[c:11]:1.[C:6](=[O:12])(-[n:20]:1:[c:16]:[n:17]:[c:18]:[c:19]:1)-[n:21]:2:[c:15]:[n:14]:[c:13]:[c:22]:2	1	30264
+[N:1]-[C:7](-[C:6]-[N:3](-[C:2])-[C:4]-[C:5])=[O:8]>>[N:1]-[C:7](-[C:6]-[N:3]-[C:2])=[O:8].[C:4](-[C:5])-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12]	1	30276
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5]-[S:6]>>[C:1]-[N:2]=[C:3]=[S:4].[N:5]-[S:6]	1	30280
+[C:1]-[N:2]-[C:3](=[S:4])-[O:5]-[C:6]>>[C:1]-[N:2]=[C:3]=[S:4].[O:5]-[C:6]	1	30281
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]:2:[c:6]:[n:7]:[n:8]:[c:9]:2):[c:10]:[s:11]:1>>[c:1]-[C:2](-[N:3])=[S:11].[C:4](-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)(-[C:10]-[Br:13])=[O:12]	1	30286
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[C:6]-[C:7](=[O:23])-[O:26]-[C:25]-[C:24]):[c:8]:[o:9]:1>>[c:1]:[c:2]-1:[c:3](:[c:4])-[C:5](-[C:8]-[O:9]-1)=[O:27].[O:22]-[C:25]-[C:24].[C:6](-[C:7](=[O:23])-[O:26])=[P:32](-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1)(-[c:31]:2:[c:20]:[c:21]:[c:28]:[c:29]:[c:30]:2)-[c:33]:3:[c:13]:[c:12]:[c:11]:[c:10]:[c:34]:3	1	30298
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[O:2].[C:3](-[c:4])-[I:5]	1	30318
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+[C:1](=[O:2])-[O:3]-[C:4]>>[C:4](-[C:5])-[O:6].[C:1](=[O:2])-[O:3]	1	30352
+[n:1]:[c:2](-[C:3](=[O:4])-[O:5]):[n:6]>>[O:5]-[C:8]-[C:7].[O:4].[n:1]:[c:2](-[C:3]#[N:9]):[n:6]	1	30377
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+[C:1]-[O:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:1]-[O:2].[C:3](-[c:4]:[c:5]:[n:6])-[O:11]-[S:8](-[C:7])(=[O:9])=[O:10]	1	30403
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+[C:1]-[S:2](=[O:3])-[C:4]>>[O:3]-[C:6]-[C:5].[C:1]-[S:2]-[C:4]	1	30405
+[c:1]:1:[n:2]:[n:3]:[c:4]:2:[c:5]:1:[c:6](-[O:7]):[c:8]:[c:9]:[n:10]:2>>[O:7]-[C:12]-[C:11].[c:1]:1:[n:2]:[n:3]:[c:4]:2:[c:5]:1:[c:6](:[c:8]:[c:9]:[n:10]:2)-[Cl:13]	1	30418
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:6]:[c:7]:1:[c:8]>>[C:4](-[C:5])-[O:9].[c:1]:[c:2](-[N:3]):[c:7](-[N:6]):[c:8]	1	30452
+[S:1]-[C:2](-[C:3](=[O:4])-[O:5]-[C:8])=[C:6]-[C:7]>>[O:5]-[C:8].[S:1]-[C:2](-[C:3](=[O:4])-[O:9])=[C:6]-[C:7]	1	30458
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:[c:10]:1:[c:9]>>[C:1]-[O:2].[c:3]:1(:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:[c:10]:1:[c:9])-[Cl:11]	1	30462
+[C:1](=[O:2])(-[c:3](:[n:4]):[c:5])-[O:7]-[C:6]>>[C:6]-[O:7].[C:1](-[O:2])(-[c:3](:[n:4]):[c:5])=[O:8]	1	30476
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]>>[C:1]-[O:2].[c:3]:1(:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8])-[Cl:10]	1	30478
+[C:1](-[c:2])(=[O:3])-[O:5]-[C:4]>>[C:4]-[O:5].[C:1](-[c:2])(-[O:3])=[O:6]	1	30489
+[C:1]-[O:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:1]-[O:2].[C:3](-[c:4]:[c:5]:[n:6])-[Cl:7]	1	30493
+[O:1]-[C:2]-[C:3]-[C:4]>>[O:1]-[C:6]-[C:5].[C:2]=[C:3]-[C:4]	1	30511
+[C:1](=[O:2])(-[c:3](:[c:4]):[c:5])-[O:7]-[C:6]>>[C:6]-[O:7].[C:1](=[O:2])(-[O:8]-[C:12]-[C:11])-[C:9].[c:3](:[c:4])(:[c:5])-[Br:10]	1	30521
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[O:4]=[C:9](-[O:8]-[C:7]-[C:6])-[C:10].[C:1]-[O:2].[C:3](-[C:5])#[N:11]	1	30522
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5](-[C:6])=[O:8]):[c:7]>>[C:5](-[C:6])(=[O:8])-[O:12]-[C:11]-[C:10].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[Br:9]	1	30526
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2](=[O:3])-[O:10]-[C:9]-[C:8].[c:4](:[c:5])(:[c:6])-[Br:7]	1	30532
+[c:1]-[C:2]=[O:3]>>[O:3]=[C:8](-[O:7]-[C:6]-[C:5])-[C:9].[c:1]-[C:2]#[N:4]	1	30533
+[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:12]):[n:6]:[n:7]:[n:8]:1-[c:9](:[c:10]):[c:11]>>[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[O:12].[N-:6]=[N+:7]=[N-:8].[c:9](:[c:10])(:[c:11])-[I:13]	1	30542
+[C:1]-[C:2](-[O:3]-[c:4])=[C:5]-[C:6](=[O:7])-[O:8]>>[C:1]-[C:2]#[C:5]-[C:6](=[O:7])-[O:8].[O:3]-[c:4]	1	30543
+[n:1]:[c:2](-[C:3]-1=[N:4]-[C:5]-[C:6](-[C:7]-[C:8](=[O:9])-[O:12])-[S:10]-1):[c:11]>>[C:5]-[C:6]#[C:7]-[C:8](=[O:9])-[O:12].[n:1]:[c:2](-[C:3](-[N:4])=[O:34]):[c:11].[S:10]-1-[P:19](-[c:18]:2:[c:17]:[c:16]:[c:15](-[O:14]-[C:13]):[c:33]:[c:32]:2)(=[S:20])-[S:21]-[P:22]-1(=[S:23])-[c:24]:3:[c:25]:[c:26]:[c:27](-[O:28]-[C:29]):[c:30]:[c:31]:3	1	30546
+[C:1](=[O:2])-[C:3](-[C:4](=[O:8])-[O:9])=[C:7]-[N:6]-[c:5]>>[C:1](=[O:2])-[C:3](-[C:4](=[O:8])-[O:9])=[C:7]-[O:12]-[C:11]-[C:10].[c:5]-[N:6]	1	30551
+[C:1]-[C:2](-[C:3](=[O:6])-[O:7])-[C:5]-[c:4]>>[C:1]-[C:2](-[C:3](=[O:6])-[O:7])-[C:12](-[O:11]-[C:10]-[C:9])=[O:13].[c:4]-[C:5]-[Br:8]	1	30553
+[C:1]-[C:2](-[C:3](-[O:4])=[O:8])(-[C:5]-[c:6])-[C:10](-[O:9])=[O:11]>>[C:1]-[C:2](-[C:3](-[O:4])=[O:8])-[C:10](-[O:9])=[O:11].[C:5](-[c:6])-[Br:7]	1	30554
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5])(-[C:6]-[C:7]=[O:8])-[C:9](=[O:10])-[O:11]>>[C:6]-[C:7]=[O:8].[O:1]-[C:2](=[O:3])-[C:4](=[O:5])-[C:9](=[O:10])-[O:11]	1	30557
+[C:1](=[O:2])(-[C:3]-[C:4](=[O:6])-[O:7])-[O:5]>>[C:1](=[O:2])(-[C:3]-[C:4](=[O:6])-[O:7]-[C:10]-[C:11])-[O:5]-[C:9]-[C:8]	1	30559
+[C:1](=[O:2])(-[C:3](-[C:4])(-[c:5](:[c:6]):[c:7])-[C:9](=[O:10])-[O:12])-[O:8]>>[C:1](=[O:2])(-[C:3](-[C:4])-[C:9](=[O:10])-[O:12])-[O:8].[c:5](:[c:6])(:[c:7])-[F:11]	1	30560
+[N:1]-[C:2](-[C:3]-[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:1)=[C:9]-[C:10]>>[N:1]-[C:2](-[C:3]-[Cl:11])=[C:9]-[C:10].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:1	1	30565
+[O:1]=[C:2](-[O:3])-[C:4]-1(-[C:5])-[C:6]-[C:7](-[c:8])=[N:9]-[O:10]-1>>[O:1]=[C:2](-[O:3])-[C:4](-[C:5])=[C:6].[C:7](-[c:8])=[N:9]-[O:10]	1	30571
+[C:1]-[c:2]:1:[c:3](-[C:4]):[s:5]:[c:6](-[C:7](=[O:8])-[O:10]):[n:9]:1>>[S:5]=[C:6](-[C:7](=[O:8])-[O:10])-[N:9].[C:1]-[C:2](-[C:3](-[C:4])-[Br:12])=[O:11]	1	30574
+[C:1](=[O:2])(-[c:3]:1:[n:4]:[c:5](:[c:6](-[C:7]):[s:9]:1)-[c:8])-[O:10]>>[C:1](=[O:2])(-[C:3](-[N:4])=[S:9])-[O:10].[C:5](-[C:6](-[C:7])-[Br:12])(-[c:8])=[O:11]	1	30575
+[C:1](-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7])-[C:8](=[O:9])-[O:10]>>[C:1](-[N:2])-[C:8](=[O:9])-[O:10].[C:3](-[O:4])(-[c:5](:[c:6]):[s:7])=[O:11]	1	30577
+[N:1]-[C:6](-[C:4](=[C:3]-[C:2])-[N:5])=[O:7]>>[N:1]-[C:6](-[C:4](=[C:3]-[C:2])-[N+:5](=[O:8])-[O-:9])=[O:7]	1	30578
+[N:1]-[C:9](-[C:4](=[C:3]-[C:2])-[N:5]-[c:6](:[c:7]):[c:8])=[O:10]>>[N:1]-[C:9](-[C:4](=[C:3]-[C:2])-[N:5])=[O:10].[c:6](:[c:7])(:[c:8])-[B:12](-[O:11])-[O:13]	1	30579
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[n:7]:[c:8](:[c:9]:2-[C:10](=[O:12])-[O:13])-[N:11]>>[c:1]:1:[c:2]:[c:3](:[c:4](:[c:5]:[n:6]:1)-[N+:7](=[O:14])-[O-:15])-[C:9](-[C:8]#[N:11])-[C:10](=[O:12])-[O:13]	1	30581
+[c:1]:[c:2](-[C:3]-[O:4]-[c:5](:[c:6]):[n:7]):[n:8]>>[O:4]-[c:5](:[c:6]):[n:7].[c:1]:[c:2](-[C:3]-[Br:9]):[n:8]	1	30587
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](:[c:7]:1-[C:8])-[C:9]-[C:10](=[O:11])-[O:12]>>[C:6](-[C:7]-[C:8])(-[C:9]-[C:10](=[O:11])-[O:12])=[O:14].[c:1]:[c:2]:[c:3](:[c:4])-[N:5]-[N:13]	1	30588
+[N:1]-1-[C:2](=[O:3])-[C:4](-[C:5])=[C:6]-[N:7]-1-[C:8]>>[N:1]-1-[C:2](=[O:3])-[C:4](-[C:5])=[C:6]-[N:7]-1.[C:8]-[O:12]-[S:10](=[O:9])(=[O:11])-[C:13](-[F:14])(-[F:15])-[F:16]	1	30589
+[O:1]=[C:2](-[c:3]:1:[c:4]:[s:5]:[c:6](-[S:7]-[C:8]-[C:9](=[O:10])-[N:11]):[n:12]:1)-[O:13]>>[O:1]=[C:2](-[C:3]-1=[C:4]-[S:5]-[C:6](=[S:7])-[N:12]-1)-[O:13].[C:8](-[C:9](=[O:10])-[N:11])-[Cl:14]	1	30592
+[c:1]:[c:2](-[C:3]=[C:4]-[C:5](=[O:6])-[O:8]):[c:7]>>[C:3]=[C:4]-[C:5](=[O:6])-[O:8].[c:1]:[c:2](:[c:7])-[O:12]-[S:10](=[O:9])(=[O:11])-[C:13](-[F:14])(-[F:15])-[F:16]	1	30598
+[C:1]-[C:2](-[O:3]-[c:4])=[C:5]-[C:6](=[O:7])-[O:8]>>[C:1]-[C:2](=[C:5]-[C:6](=[O:7])-[O:8])-[Cl:9].[O:3]-[c:4]	1	30613
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5](-[C:6])-[c:7](:[c:8]):[c:9]>>[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[C:6].[c:7](:[c:8])(:[c:9])-[Br:10]	1	30614
+[c:1]:1(:[n:2]:[c:3]:2:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:2:[c:9]:[c:10]:1)-[O:11]>>[C:1](-[C:10]=[C:9]-[c:8]:1:[c:3](-[N:2]):[c:4]:[c:5]:[n:6]:[c:7]:1)(=[O:11])-[O:14]-[C:13]-[C:12]	1	30617
+[c:1]:1(:[c:2]:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[c:8]:[c:9]:2:[n:10]:1)-[O:11]>>[C:1](-[C:2]=[O:15])(=[O:11])-[O:14]-[C:13]-[C:12].[N:3]-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:[c:9]:1-[N:10]	1	30623
+[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5]:2:[c:6]:1:[c:7](-[c:8]):[c:9]:[n:10]:[c:11]:2-[C:12](=[O:13])-[O:14]>>[C:11](-[C:12](=[O:13])-[O:14])=[O:15].[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5]:[c:6]:1-[C:7](-[c:8])-[C:9]-[N:10]	1	30628
+[C:1]-[n:2]:1:[c:3](-[C:4](=[O:5])-[O:11]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:3](-[C:4](=[O:5])-[O:11])=[O:12].[C:1]-[N:2]-[c:8](:[c:7](-[N:6]):[c:10]):[c:9]	1	30629
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+[C:1]-[C:2](-[C:3](-[C:4]-[C:5](=[O:6])-[O:7])-[N:8]-[C:9]=[O:10])=[O:11]>>[C:4](-[C:5](=[O:6])-[O:7])-[Br:12].[C:1]-[C:2](-[C:3]-[N:8]-[C:9]=[O:10])=[O:11]	1	30695
+[C:1](=[O:2])(-[C:3]-[C:4](-[C:5]=[O:10])-[N:8]-[C:7]=[O:6])-[O:9]>>[C:1](=[O:2])(-[C:3]-[Br:11])-[O:9].[C:4](-[C:5]=[O:10])-[N:8]-[C:7]=[O:6]	1	30704
+[C:1](-[C:2](-[c:3])-[C:4]-[C:5](=[O:6])-[O:7])=[O:8]>>[C:4](-[C:5](=[O:6])-[O:7])-[Br:9].[C:1](-[C:2]-[c:3])=[O:8]	1	30728
+[C:1](=[O:2])(-[C:3]-[N:4]-1-[C:5]=[C:6]-[C:7](-[n:8](:[c:9]:[c:10]):[c:11])=[C:12]-[C:13]-1=[O:14])-[O:15]>>[C:1](=[O:2])(-[C:3]-[Br:16])-[O:15].[n:4]:1:[c:5]:[c:6]:[c:7](-[n:8](:[c:9]:[c:10]):[c:11]):[c:12]:[c:13]:1-[O:14]	1	30731
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[C:6])-[N:7](-[c:8])-[C:9](-[N:10])=[C:11](-[C:12](=[O:13])-[O:14])-[C:15]-1-[c:16](:[c:17]):[o:18]>>[C:9](#[N:10])-[C:11]-[C:12](=[O:13])-[O:14].[O:1]-[C:2](=[O:3])-[C:4]=[C:5](-[C:6])-[N:7]-[c:8].[C:15](-[c:16](:[c:17]):[o:18])=[O:19]	1	30733
+[S:1]-[c:2]:1:[n:3]:[c:4](:[c:5](-[C:6]#[N:7]):[c:8](-[c:9]):[n:10]:1)-[O:11]>>[C:4](-[C:5]-[C:6]#[N:7])(=[O:11])-[O:14]-[C:13]-[C:12].[S:1]-[C:2](=[N:3])-[N:10].[C:8](-[c:9])=[O:15]	1	30735
+[O:1]=[C:2]-1-[N:3]-[C:4](=[S:5])-[N:6](-[c:7]:[c:9]:[n:8])-[C:10](=[C:11]-1)-[N:12]>>[O:1]=[C:2](-[C:11]-[C:10]#[N:12])-[O:15]-[C:14]-[C:13].[N:3]-[C:4](=[S:5])-[N:6]-[c:7]:[c:9]:[n:8]	1	30741
+[N:1]#[C:2]-[C:3](-[C:4](=[O:5])-[O:8])-[C:6]-[C:7]=[O:9]>>[N:1]#[C:2]-[C:3]-[C:4](=[O:5])-[O:8].[C:6](-[C:7]=[O:9])-[Br:10]	1	30742
+[N:1]#[C:2]-[C:3](-[C:4](=[O:5])-[O:9])=[C:6](-[c:7])-[c:8]>>[N:1]#[C:2]-[C:3]-[C:4](=[O:5])-[O:9].[C:6](-[c:7])(-[c:8])=[O:10]	1	30743
+[O:1]-[C:2](=[O:3])-[C:4]-[n:5]:1:[n:6]:[c:7](-[c:8]):[c:9]:[c:10]:1-[N:11]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[N:6].[C:7](-[c:8])(-[C:9]-[C:10]#[N:11])=[O:12]	1	30764
+[N:1](-[C:2](-[C:3])=[O:7])-[c:5]:[c:4]:[n:6]>>[N+:1](-[c:5]:[c:4]:[n:6])(=[O:11])-[O-:12].[C:2](-[C:3])(=[O:7])-[O:10]-[C:9]-[C:8]	1	30765
+[c:1]:1:[c:2]:[c:3](-[S:4]-[C:5]-[C:6](=[O:7])-[O:11]):[n:8]:[c:9]:[n:10]:1>>[S:4]-[C:5]-[C:6](=[O:7])-[O:11].[c:1]:1:[c:2]:[c:3](:[n:8]:[c:9]:[n:10]:1)-[Cl:12]	1	30766
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[s:9]>>[n:1]:[c:2](-[N:3]):[s:9].[N:6](-[C:7])-[C:8].[C:4](=[O:5])(-[c:13]:1:[n:12]:[c:11]:[c:10]:[n:19]:1)-[c:14]:2:[n:15]:[c:16]:[c:17]:[n:18]:2	1	30768
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[C:6](=[O:7])-[O:10]):[c:8]:1-[c:9]>>[C-:3]#[N+:4]-[C:5]-[C:6](=[O:7])-[O:10].[C:1]-[C:2](=[C:8]-[c:9])-[N+:12](=[O:11])-[O-:13]	1	30770
+[c:1]-[n:2]:1:[c:3]:[n:4]:[c:5](-[C:6]-[O:7]):[c:8]:1>>[N+:4](-[C:5]-[C:6](=[O:7])-[O:11]-[C:10]-[C:9])(=[O:12])-[O-:13].[C:3](-[O:16]-[C:15]-[C:14])(-[O:17]-[C:18]-[C:19])-[O:20]-[C:21]-[C:22].[c:1]-[N:2].[C:8]-[C:24](=[O:23])-[O:25]	1	30771
+[O:1]-[C:2](=[O:3])-[N:4]-1-[C:5](=[O:6])-[N:7]-[C:8](-[C:9])=[C:10]-1>>[O:1]-[C:2](=[O:3])-[Cl:11].[N:4]-1-[C:5](=[O:6])-[N:7]-[C:8](-[C:9])=[C:10]-1	1	30779
+[O:1]=[C:2]-1-[O:3]-[N:4]-[C:5](=[O:6])-[N:7]-1>>[O:1]=[C:2](-[O:10]-[C:9]-[C:8])-[Cl:11].[O:3]-[N:4]-[C:5](=[O:6])-[N:7]	1	30780
+[N:1](-[C:2])(-[C:5]-[C:4]=[C:3])-[C:9](=[O:6])-[O:8]>>[O:6]=[C:9](-[Cl:7])-[O:8].[N:1](-[C:2])-[C:5]-[C:4]=[C:3]	1	30783
+[O:1]-[C:2](=[N:3]-[c:4])-[O:7]-[C:5]=[O:6]>>[O:1]-[C:2](=[O:8])-[Cl:9].[N:3]-[c:4].[C:5](=[O:6])-[O:7]	1	30785
+[N:1](-[C:2])(-[C:5]-[C:4]=[C:3])-[C:16](=[O:6])-[O:15]>>[O:6]=[C:16](-[Cl:7])-[O:15].[N:1](-[C:2])(-[C:5]-[C:4]=[C:3])-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1	1	30805
+[O:1]-[C:2](=[O:3])-[N:4]-1-[C:5]=[C:6]-[C:7](-[c:8]:2:[c:9]:[n:10]:[c:11](:[c:12]):[n:14]:2:[n:13])-[C:15]=[N:16]-1>>[O:1]-[C:2](=[O:3])-[Cl:17].[c:8]:1:[c:9]:[n:10]:[c:11](:[c:12]):[n:14]:1:[n:13].[n:4]:1:[c:5]:[c:6]:[c:7]:[c:15]:[n:16]:1	1	30812
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	1	30813
+[C:1]-[C:2]-[O:3]-[C:4](=[O:5])-[C:6]>>[C:1]-[C:2]-[O:10]-[C:8](=[O:7])-[Cl:9].[O:3]-[C:4](=[O:5])-[C:6]	1	30817
+[O:1]-[C:2](=[O:3])-[N:4](-[c:5]:[c:7]:[n:6])-[C:8]>>[O:1]-[C:2](=[O:3])-[Cl:9].[N:4](-[c:5]:[c:7]:[n:6])-[C:8]	1	30818
+[O:1]-[C:2](=[O:3])-[N:4]-[N:5]-[c:6](:[c:7]):[n:9]:[n:8]>>[O:1]-[C:2](=[O:3])-[N:4]-[N:5].[c:6](:[c:7])(:[n:9]:[n:8])-[Cl:10]	1	30826
+[O:1]-[C:2](=[O:3])-[N:4]-[N:5]=[C:6](-[C:7])-[c:8]>>[O:1]-[C:2](=[O:3])-[N:4]-[N:5].[C:6](-[C:7])(-[c:8])=[O:9]	1	30827
+[O:1]-[C:2](=[O:3])-[N:4]-[C:5]-1-[C:6]-[C:7]-[C:8]-[N:9]-[C:10]-1>>[O:1]-[C:2](=[O:3])-[N:4]-[c:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:1	1	30828
+[s:1]:[c:2](-[n:3]:1:[c:4]:[c:5](-[C:6]):[n:7]:[n:8]:1):[n:9]>>[s:1]:[c:2](-[N:3]=[N+:8]=[N-:7]):[n:9].[C:4]#[C:5]-[C:6]	1	30845
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[N:6]-[C:7]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[F:8].[N:6]-[C:7]	1	30850
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[n:7]:[c:8]:[c:9]:2)-[O:10]>>[C:1](-[c:6]:1:[c:5](-[N:4]):[c:9]:[c:8]:[n:7]:1)(=[O:10])-[O:13]-[C:12]-[C:11].[N:2]=[C:3]-[N:14]	1	30851
+[c:1](:[c:2]-[c:6]:1:[c:5](-[C:4]):[s:10]:[c:8](:[n:7]:1)-[C:9]):[s:3]>>[c:1](:[c:2]-[C:6](-[C:5](-[C:4])-[Br:12])=[O:11]):[s:3].[N:7]-[C:8](-[C:9])=[S:10]	1	30855
+[c:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[c:6]:[c:8]:[n:7]):[n:9]:1>>[c:1]-[C:2](-[C:3]-[Br:10])=[O:11].[S:4]=[C:5](-[c:6]:[c:8]:[n:7])-[N:9]	1	30863
+[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[c:7])-[O:8]>>[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1.[C:6](-[c:7])=[O:8]	1	30866
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[s:6]>>[C:3](-[c:4](:[n:5]):[s:6])-[Br:7].[c:1]-[O:2]	1	30873
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[C:1]-[O:2].[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:11]-[C:10]-[C:9]	1	30885
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5](=[C:6](-[c:7])-[S:8]-1)-[O:9]>>[C:3](=[O:4])(-[C:5](=[O:9])-[O:13]-[C:14]-[C:15])-[O:12]-[C:11]-[C:10].[C:1]-[N:2]-[S:8]-[C:6]-[c:7]	1	30894
+[O:1]=[C:2](-[C:3](=[O:7])-[O:8])-[c:4](:[c:5]):[c:6]>>[O:1]=[C:2](-[C:3](=[O:7])-[O:8])-[O:11]-[C:10]-[C:9].[c:4](:[c:5]):[c:6]	1	30897
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5](=[O:6])-[O:7]>>[C:3](=[O:4])(-[C:5](=[O:6])-[O:7])-[O:10]-[C:9]-[C:8].[c:1]-[N:2]	1	30898
+[O:1]=[C:2]-1-[C:3](=[C:4](-[c:5])-[C:6](=[O:7])-[N:8]-1-[c:9])-[O:10]>>[O:1]=[C:2](-[C:3](=[O:10])-[O:14]-[C:15]-[C:16])-[O:13]-[C:12]-[C:11].[C:4](-[c:5])-[C:6](=[O:7])-[N:8]-[c:9]	1	30901
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])=[O:6]>>[O:1]-[C:2](=[O:3])-[C:10](-[O:9]-[C:8]-[C:7])=[O:11].[C:4](-[C:5])(=[O:6])-[O:14]-[C:13]-[C:12]	1	30902
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[c:6]:2:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:2:[n:12]:1-[c:13]>>[O:1]-[C:2](=[O:3])-[C:4](-[O:16]-[C:15]-[C:14])=[O:17].[N:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:1-[N:12]-[c:13]	1	30911
+[C:1]-[n:2]:1:[c:3]:[c:4](-[C:5](=[O:11])-[O:12]):[c:6](-[O:7]-[C:8]-[c:9]):[n:10]:1>>[C:1]-[N:2]-1-[C:3]=[C:4](-[C:5](=[O:11])-[O:12])-[C:6](=[O:7])-[N:10]-1.[C:8](-[c:9])-[Br:13]	1	30932
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1-[C:9]):[c:7]>>[C:1]-[C:2](-[O:12]-[C:11]-[C:10])=[O:13].[N:3]-[c:4](:[c:5](:[c:6])-[N:8]-[C:9]):[c:7]	1	30934
+[C:1]-[N:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[c:7]:1)-[C:8]>>[C:1]-[N:2]-[C:8].[c:3]:1(:[n:4]:[n:5]:[c:6]:[c:7]:1)-[I:9]	1	30944
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6](=[C:7](-[O:8])-[C:9])-[C:11](-[N:10])=[O:12]):[s:13]>>[C:4](=[O:5])(-[C:6](=[C:7](-[O:8])-[C:9])-[C:11](-[N:10])=[O:12])-[O:16]-[C:15]-[C:14].[n:1]:[c:2](-[N:3]):[s:13]	1	30945
+[c:1]:1:[c:2](-[C:3]-[C:4](=[O:5])-[O:6]):[n:7](:[c:8]:[c:9]):[c:11](:[c:10]):[c:12]:1>>[c:1]:1:[c:2]:[n:7](:[c:8]:[c:9]):[c:11](:[c:10]):[c:12]:1.[C:3](-[C:4](=[O:5])-[O:6])=[N+:14]=[N-:13]	1	30947
+[O:1]-[C:2](=[O:3])-[C:4]-1-[C:5](-[C:6])-[C:10]-1-[c:7]:[c:8]:[n:9]>>[O:1]-[C:2](=[O:3])-[C:4]=[N+:12]=[N-:11].[C:5](-[C:6])=[C:10]-[c:7]:[c:8]:[n:9]	1	30949
+[n:1]:1:[c:2]:[c:3]:[c:4]:[c:5]:1-[C:6]-[C:7](=[O:8])-[O:9]>>[C:6](-[C:7](=[O:8])-[O:9])=[N+:11]=[N-:10].[n:1]:1:[c:2]:[c:3]:[c:4]:[c:5]:1	1	30950
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5]-1-[C:6](-[O:8])=[O:9]):[n:7]>>[C:5](-[C:6](-[O:8])=[O:9])=[N+:11]=[N-:10].[c:1]:[c:2](-[C:3]=[C:4]):[n:7]	1	30951
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[n:6]:1:[c:7]:[c:8]:[c:9]:[c:11]:1:[c:10]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[Br:12].[n:6]:1:[c:7]:[c:8]:[c:9]:[c:11]:1:[c:10]	1	30958
+[C:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5](:[n:6]:[c:7]:1-[C:8]):[n:9]:[c:10]:[c:11]:[c:12]:2>>[C:1]-[C:2]-[C:7](-[C:8])=[O:13].[C:3](-[c:4]:1:[c:5](-[N:6]):[n:9]:[c:10]:[c:11]:[c:12]:1)=[O:14]	1	30959
+[C:1](=[O:2])(-[C:3]-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1)-[O:9]>>[C:1](=[O:2])(-[C:3]-[Cl:10])-[O:9].[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1	1	30996
+[O:1]=[C:2](-[c:3]:1:[c:4]:[c:5](:[c:6](:[c:7]):[o:9]:1):[c:8])-[O:10]>>[O:1]=[C:2](-[C:3]-[Cl:11])-[O:10].[C:4](-[c:5](:[c:6](:[c:7])-[O:9]):[c:8])=[O:12]	1	30997
+[O:1]=[C:2](-[N:3]-[c:4]:[c:5]:[n:6])-[C:7]>>[O:1]=[C:2](-[C:7])-[O:10]-[C:9]-[C:8].[N:3]-[c:4]:[c:5]:[n:6]	1	30999
+[n:1]:1:[c:2](-[C:3]):[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:2](-[C:3])(-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:9]-[C:10].[N:1]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7]	1	31006
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10]	1	31007
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[n:5]:[c:6](-[C:7]):[n:8]:2):[c:9]:[n:10]:1>>[C:6](-[C:7])(-[O:15]-[C:14]-[C:13])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:11]-[C:12].[c:1]:1:[c:2]:[c:3](:[c:4](-[N:5]):[c:9]:[n:10]:1)-[N:8]	1	31009
+[C:1]-[c:2]:1:[c:3]:[n:4](-[C:5]):[c:6](:[c:7]):[c:9]:1:[c:8]>>[C:1]-[C:2]-[C:3](-[O:12]-[C:11]-[C:10])-[O:13]-[C:14]-[C:15].[N:4](-[C:5])(-[c:6](:[c:7]):[c:9]:[c:8])-[N:16]	1	31013
+[C:1]-[n:2]:1:[n:3]:[c:4](-[c:5]:[c:7]:[n:6]):[c:8]:[c:9]:1-[N:10]>>[C:1]-[N:2]-[N:3].[C:4](-[c:5]:[c:7]:[n:6])(-[C:8]-[C:9]#[N:10])=[O:11]	1	31014
+[O:1]-[C:2]-[C:3]>>[O:1]-[C:2](-[C:3])-[O:6]-[C:5]-[C:4]	1	31015
+[c:1]:[c:2](-[n:3]:1:[c:4]:[n:5]:[n:6]:[n:7]:1):[n:8]>>[N-:5]=[N+:6]=[N:7]-[Si:11](-[C:10])(-[C:12])-[C:13].[C:4](-[O:16]-[C:15]-[C:14])(-[O:17]-[C:18]-[C:19])-[O:20]-[C:21]-[C:9].[c:1]:[c:2](-[N:3]):[n:8]	1	31018
+[n:1]:[c:2](-[n:3]:1:[c:4]:[n:5]:[n:6]:[n:7]:1):[c:8]>>[n:1]:[c:2](-[N:3]):[c:8].[C:4](-[O:11]-[C:10]-[C:9])(-[O:12]-[C:13]-[C:14])-[O:15]-[C:16]-[C:17].[N-:5]=[N+:6]=[N-:7]	1	31019
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[c:8]:[s:9]:2)-[O:10]>>[C:3](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[C:1](-[N:2])(-[c:6]:1:[c:5](-[N:4]):[s:9]:[c:8]:[c:7]:1)=[O:10]	1	31023
+[n:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[o:7]:1):[c:8]:[n:9]>>[C:6](-[O:14]-[C:13]-[C:12])(-[O:15]-[C:16]-[C:17])-[O:18]-[C:10]-[C:11].[n:1]:[c:2](-[C:3](-[N:4]-[N:5])=[O:7]):[c:8]:[n:9]	1	31024
+[N:1]-[c:2]:1:[c:3](:[n:4]:[c:5]:[n:6]:1-[C:7])-[C:8](=[O:9])-[N:10]>>[C:5](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[N:1]#[C:2]-[C:3](-[N:4])-[C:8](=[O:9])-[N:10].[N:6]-[C:7]	1	31028
+[c:1]:1:[n:2]:[c:3]:2:[n:4]:[c:5]:[c:6]:[c:7]:[c:8]:2:[o:9]:1>>[C:1](-[O:12]-[C:11]-[C:10])(-[O:13]-[C:14]-[C:15])-[O:16]-[C:17]-[C:18].[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[O:9]	1	31033
+[n:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5](:[c:6]:1-[O:7]):[c:8]:[n:9]:[c:10]:[c:11]:2>>[C:2](-[O:14]-[C:13]-[C:12])(-[O:15]-[C:16]-[C:17])-[O:18]-[C:19]-[C:20].[N:1]-[C:6](-[c:5]:1:[c:4](-[N:3]):[c:11]:[c:10]:[n:9]:[c:8]:1)=[O:7]	1	31035
+[C:1]-1(-[C:2](=[C:3]-[N:4]-[c:5])-[C:8](-[O:7]-[C:20]-[O:10]-1)=[O:9])=[O:6]>>[C:1](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[N:4]-[c:5].[C:2]-1-[C:3](=[O:6])-[O:10]-[C:20]-[O:7]-[C:8]-1=[O:9]	1	31036
+[n:1]:[c:2]:1-[N:3]=[C:4]-[N:5](-[C:6])-[C:7](=[O:8])-[c:9]:1:[n:10]>>[C:4](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[n:1]:[c:2](-[N:3]):[c:9](-[C:7](-[N:5]-[C:6])=[O:8]):[n:10]	1	31039
+[c:1](-[c:2]:1:[n:3]:[o:4]:[c:5]:[n:6]:1):[c:7]:[n:8]>>[C:5](-[O:11]-[C:10]-[C:9])(-[O:12]-[C:13]-[C:14])-[O:15]-[C:16]-[C:17].[c:1](-[C:2](-[N:3]-[O:4])=[N:6]):[c:7]:[n:8]	1	31040
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[N:6]-[c:7])-[C:8]=[O:9]>>[C:5](-[O:12]-[C:11]-[C:10])(-[O:13]-[C:14]-[C:15])-[O:16]-[C:17]-[C:18].[O:1]-[C:2](=[O:3])-[C:4]-[C:8]=[O:9].[N:6]-[c:7]	1	31052
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:2:[c:6]:1:[n:7](-[C:8]):[c:9]:[n:10]:2>>[C:9](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1-[N:7]-[C:8])-[N:10]	1	31055
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6]:[n:7](-[C:8]):[c:9]:2:[n:10]:1>>[C:6](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[c:1]:1:[c:2]:[c:3]:[c:4](-[N+:5](=[O:20])-[O-:21]):[c:9](-[N:7]-[C:8]):[n:10]:1	1	31056
+[c:1]-[N:2]-[C:3]=[C:4](-[C:5]#[N:6])-[C:7](-[N:8])=[O:9]>>[C:3](-[O:12]-[C:11]-[C:10])(-[O:13]-[C:14]-[C:15])-[O:16]-[C:17]-[C:18].[C:4](-[C:5]#[N:6])-[C:7](-[N:8])=[O:9].[c:1]-[N:2]	1	31060
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[n:5]:[c:6]:[n:7](-[C:8]):[c:9]:2:[n:10]:1>>[C:6](-[O:11]-[C:19]-[C:18])(-[O:12]-[C:13]-[C:14])-[O:15]-[C:16]-[C:17].[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5]):[c:9](-[N:7]-[C:8]):[n:10]:1	1	31061
+[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:2:[n:7]:[n:8]:[c:9]:[n:10]:1:2>>[C:9](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6](-[N:7]-[N:8]):[n:10]:1	1	31069
+[c:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:2>>[C:3](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[c:1]-[N:2]-[c:6]:1:[c:5](-[N:4]):[c:10]:[n:9]:[c:8]:[c:7]:1	1	31074
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+[c:1]:1:[c:2]:[n:3]:2:[n:4]:[c:5]:[c:6](-[C:7]#[N:8]):[c:9](-[Cl:10]):[c:11]:2:[c:12]:1>>[c:1]:1:[c:2]:[n:3]:2-[N:4]-[C:5]=[C:6](-[C:7]#[N:8])-[C:9](-[c:11]:2:[c:12]:1)=[O:17].[Cl:10]-[P:14](=[O:13])(-[Cl:15])-[Cl:16]	1	31095
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+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[c:7]):[n:8]>>[c:1]:[c:2](-[N:3]):[n:8].[C:4](=[O:5])=[N:6]-[c:7]	1	31115
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+[c:1]:1:[c:2]:[s:3]:[c:4]-2:[c:5]:1-[N:6](-[C:7])-[C:8]=[C:9](-[C:10](=[O:11])-[O:14])-[C:12]-2=[O:13]>>[C:7]-[I:15].[c:1]:1:[c:2]:[s:3]:[c:4]:2:[c:5]:1:[n:6]:[c:8]:[c:9](-[C:10](=[O:11])-[O:14]):[c:12]:2-[O:13]	1	31121
+[c:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5](:[c:6]:1):[n:7]:[c:8](-[N:9]):[n:10]:2-[C:11]>>[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5](:[c:6]:1)-[N:7])-[N:10]-[C:11].[C:8](#[N:9])-[Br:12]	1	31149
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[n:7]:[c:8](-[N:9]-[c:10]):[n:11]:2>>[c:1]:1:[c:2]:[c:3](:[c:4](:[c:5]:[n:6]:1)-[N:7])-[N:11].[C:8](=[N:9]-[c:10])=[S:12]	1	31154
+[N+:1](-[c:2]:1:[c:3]:[c:4]:[c:5]:[s:6]:1)(=[O:7])-[O-:8]>>[c:2]:1:[c:3]:[c:4]:[c:5]:[s:6]:1.[N+:1](=[O:7])(-[O-:8])-[O:9]	1	31162
+[c:1]:[c:2]:1:[n:3]:[c:4](-[n:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:2):[n:10]:[c:11]:[c:12]:1>>[n:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1.[c:1]:[c:2]:1:[n:3]:[c:4](:[n:10]:[c:11]:[c:12]:1)-[Cl:13]	1	31169
+[c:1]:1(:[n:2]:[c:3](:[c:4]):[c:6](:[c:5]):[n:7]:2:[n:8]:[c:9]:[c:10]:[c:11]:1:2)-[Cl:12]>>[C:1]-1(-[N:2]-[c:3](:[c:4]):[c:6](:[c:5])-[n:7]:2:[n:8]:[c:9]:[c:10]:[c:11]-1:2)=[O:14].[Cl:12]-[P:16](-[Cl:13])(=[O:15])-[Cl:17]	1	31177
+[C:1]-[C:2](-[C:3](-[C:4])=[O:6])-[C:5]=[O:7]>>[C:5](-[O:7]-[C:9]-[C:8])=[O:10].[C:1]-[C:2]-[C:3](-[C:4])=[O:6]	1	31182
+[O:1]=[C:2]-[C:3](-[C:4]#[N:5])-[c:6]>>[O:1]=[C:2]-[O:9]-[C:8]-[C:7].[C:3](-[C:4]#[N:5])-[c:6]	1	31191
+[C:1](=[O:2])-[C:3](-[C:4]=[O:5])-[C:6]>>[C:4](=[O:5])-[O:9]-[C:8]-[C:7].[C:1](=[O:2])-[C:3]-[C:6]	1	31198
+[O:1]=[C:2]-[O:3]-[C:4]>>[C:4]-[C:8]-[O:7]-[C:6]-[C:5].[O:1]=[C:2]-[O:3]	1	31200
+[C:1]-[C:2](-[C:3])(-[O:4])-[c:5]>>[C:3]-[C:13]-[O:12]-[C:11]-[C:10].[C:1]-[Mg:9]-[Br:8].[C:2](=[O:4])(-[c:5])-[O:7]-[C:6]	1	31203
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+[c:1]:[c:2](-[P:3](-[c:4])-[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[F:7].[P:3](-[c:4])-[c:5]	1	31221
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]#[N:6]):[n:7]:[c:8](:[c:9]):[c:11]:1:[c:10]>>[C:1]-[C:2]-1=[C:3]-[C:4](=[C:5]=[N-:6])-[N+:7](-[c:8](:[c:9]):[c:11]-1:[c:10])=[O:12]	1	31227
+[C:1]-[C:2](-[N:3])=[S:4]>>[S:4]=[P:8](-[O:7]-[C:6]-[C:5])(-[S:9])-[O:10]-[C:11]-[C:12].[C:1]-[C:2]#[N:3]	1	31231
+[c:1]:[c:2](-[P:3](-[C:4])(=[O:5])-[O:6]):[c:7]>>[P:3](-[C:4])(=[O:5])-[O:6].[c:1]:[c:2](:[c:7])-[I:8]	1	31236
+[C:1]-[N:2]-[C:3](=[C:4]-[N+:5])-[S:6]>>[C:1]-[N:2].[C:3](=[C:4]-[N+:5])(-[S:6])-[S:9](=[O:7])-[C:8]	1	31248
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]-[C:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5]=[C:6]-[C:7])-[O:8]	1	31252
+[P:1]-[O:2]-[C:3]-[C:4]>>[P:1]-[O:2].[C:3](-[C:4])-[O:5]	1	31253
+[C:1]-[S:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7]>>[C:1]-[S:2].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[Cl:8]	1	31255
+[C:1]-[S:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[S:2].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:8]	1	31259
+[C:1]-[S:2](=[O:3])(=[O:4])-[C:5]-[C:6]>>[C:1]-[S:2](=[O:3])-[O:4].[C:5](-[C:6])-[Br:7]	1	31260
+[O:1]-[C:2]-1(-[c:3](:[c:4]:[n:5]):[n:6])-[C:7]-[C:8]-1>>[C:7](-[C:8])-[Mg+:10].[O:1]-[C:2](-[c:3](:[c:4]:[n:5]):[n:6])=[O:9]	1	31264
+[C:1]-[C:2]-[C:3](-[c:4])(-[c:5])-[N:9]-[C:7](-[N:6])=[O:8]>>[C:1]-[C:2]-[Mg:11]-[Br:10].[C:3](-[c:4])(-[c:5])(-[N:9]-[C:7](-[N:6])=[O:8])-[O:12]	1	31268
+[c:1]-[C:2]-1(-[O:3])-[C:4]-[C:5]-1>>[C:4]-[C:5]-[Mg:7]-[Br:6].[c:1]-[C:2](=[O:3])-[O:9]-[C:8]	1	31281
+[C:1]-[C:2]-[C:3](-[C:4](=[C:5](-[C:6])-[C:7])-[N:8])-[O:9]>>[C:1]-[C:2]-[Mg:11]-[Br:10].[C:3](-[C:4](=[C:5](-[C:6])-[C:7])-[N:8])=[O:9]	1	31290
+[N:1]-[C:2]-1(-[c:3](:[n:4]):[n:5])-[C:6]-[C:7]-1>>[C:6](-[C:7])-[Mg:9]-[Br:8].[N:1]#[C:2]-[c:3](:[n:4]):[n:5]	1	31292
+[N:1]-[C:2]-1(-[c:3](:[n:4]):[o:5])-[C:6]-[C:7]-1>>[C:6](-[C:7])-[Mg:9]-[Br:8].[N:1]#[C:2]-[c:3](:[n:4]):[o:5]	1	31293
+[C:1]-[C:2]-[C:3](-[c:4]:[c:6]:[n:5])-[O:7]>>[C:1]-[C:2]-[Mg:9]-[Cl:8].[C:3](-[c:4]:[c:6]:[n:5])=[O:7]	1	31294
+[O:1]-[C:2](-[c:3])-[C:4](-[C:5])-[N+:6]>>[C:4](-[C:5])-[N+:6].[O:1]=[C:2]-[c:3]	1	31298
+[C:1]-[C:2]-[O:3]-[c:4](:[c:5]):[n:6]>>[C:1]-[C:2]-[O+:9](-[C:8]-[C:7])-[C:10]-[C:11].[O:3]-[c:4](:[c:5]):[n:6]	1	31299
+[C:1]-[c:2]:1:[c:3](:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:2)-[Si:12](-[C:11])(-[C:13])-[C:14]>>[C:1]-[C:2]#[C:3]-[Si:12](-[C:11])(-[C:13])-[C:14].[N:4]-[c:5]:1:[c:6](:[c:7]:[n:8]:[c:9]:[c:10]:1)-[I:15]	1	31300
+[C:1]#[C:2]>>[C:1](#[C:2])-[Si:5](-[C:4]-[C:3])(-[C:6]-[C:7])-[C:8]-[C:9]	1	31301
+[c:1]:1:[c:2]:[c:3](-[C:4]=[O:5]):[c:6]:[s:7]:1>>[c:1]:1:[c:2]:[c:3](:[c:6]:[s:7]:1)-[Br:8].[C:4](=[O:5])-[N:10](-[C:9])-[C:11]	1	31305
+[c:1](-[C:2]-[O:3]):[c:4]:[s:5]>>[c:1](-[C:2]=[O:3]):[c:4]:[s:5]	1	31306
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+[c:1](-[N:2]-[c:3]:1:[c:4]:[c:5](:[c:6]:[c:7]:[n:8]:1):[n:9]):[c:10]:[n:11]>>[c:1](-[N:2]):[c:10]:[n:11].[c:3]:1(:[c:4]:[c:5](:[c:6]:[c:7]:[n:8]:1):[n:9])-[Cl:12]	1	31320
+[c:1](:[n:2]):[c:3]-[C:4]-[N:5]=[N+:7]=[N-:6]>>[c:1](:[n:2]):[c:3]-[C:4]-[O:8].[N-:5]=[N+:7]=[N-:6]	1	31325
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[c:7]>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1.[C:6](-[c:7])-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11]	1	31335
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+[c:1]-[N:2]-[C:3](=[C:4](-[C:5]#[N:6])-[S:7])-[S:9]-[C:8]>>[c:1]-[N:2]=[C:3]=[S:9].[C:8]-[I:10].[C:4](-[C:5]#[N:6])-[S:7]	1	31356
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5])(-[C:6])-[c:7]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5])-[c:7].[C:6]-[I:8]	1	31357
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+[C:1]-[N:2]-1-[C:3]=[C:4]-[C:5](=[C:6](-[N+:7])-[C:8]-1=[O:9])-[Cl:10]>>[C:1]-[I:11].[n:2]:1:[c:3]:[c:4]:[c:5](:[c:6](-[N+:7]):[c:8]:1-[O:9])-[Cl:10]	1	31395
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+[C:1]-[C:2]-1=[C:3](-[c:4])-[C:5](=[O:6])-[c:7](:[c:8]):[c:10](:[c:9])-[N:11]-1-[C:12]>>[C:12]-[I:13].[C:1]-[c:2]:1:[c:3](-[c:4]):[c:5](-[O:6]):[c:7](:[c:8]):[c:10](:[c:9]):[n:11]:1	1	31465
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+[C:1]-[n:2]:1:[n:3]:[c:4](-[O:5]-[C:6]):[c:7](:[c:8]):[c:10]:1:[c:9]>>[C:6]-[I:11].[C:1]-[N:2]-1-[N:3]-[C:4](=[O:5])-[c:7](:[c:8]):[c:10]-1:[c:9]	1	31473
+[C:1]-[S:2]-[c:3]:1:[n:4]:[c:5]:2:[c:6](:[o:7]:1):[c:8]:[n:9]:[c:10]:[c:11]:2>>[C:1]-[I:12].[S:2]=[C:3]-1-[N:4]-[c:5]:2:[c:6](-[O:7]-1):[c:8]:[n:9]:[c:10]:[c:11]:2	1	31477
+[C:1]-[c:2]:1:[c:3]:[c:4](:[n:5]:[c:6](:[n:7]:1)-[S:10]-[C:9])-[O:8]>>[C:9]-[I:11].[C:1]-[C:2]-1=[C:3]-[C:4](-[N:5]-[C:6](-[N:7]-1)=[S:10])=[O:8]	1	31479
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+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[c:6](-[N:7]-[c:8]):[n:9]:[c:10]:[c:11]:1>>[N:5]-[C:6](=[N:7]-[c:8])-[N:9].[n:1]:[c:2]:[c:3]-[C:4](-[C:11]=[C:10]-[N:13](-[C:12])-[C:14])=[O:15]	1	31999
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+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:[n:6]:1>>[c:1]-[C:2](-[N:6]=[C:5]-[N:8](-[C:7])-[C:9])=[O:10].[N:3]-[N:4]	1	32025
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+[n:1]:1:[c:2](-[C:3]=[O:4]):[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:3](=[O:4])-[N:11](-[C:10])-[C:12].[n:1]:1:[c:2]:[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]	1	32147
+[N:1]-[C:2](-[c:3])=[O:4]>>[N:1](-[C:5])(-[C:6])-[C:7]=[O:8].[C:2](-[c:3])(-[O:4])=[O:9]	1	32153
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+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[n:6]>>[O:4]=[C:10]-[N:8](-[C:7])-[C:9].[c:1]:[c:2](-[C:3](-[c:5])-[C:12]#[N:11]):[n:6]	1	32157
+[N:1]-[C:2]=[C:3](-[C:4]-1=[N:5]-[N:6]-[C:7](=[O:8])-[O:9]-1)-[C:10]=[C:11]>>[C:7](=[O:8])-[N:13](-[C:12])-[C:14].[N:1]-[C:2]=[C:3](-[C:4](-[N:5]-[N:6])=[O:9])-[C:10]=[C:11]	1	32160
+[O:1]=[C:2]-[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8]>>[O:1]=[C:2]-[N:12](-[C:11])-[C:13].[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8]	1	32169
+[c:1](:[c:2](-[C:3]=[O:4]):[c:5]):[c:6]:[o:7]>>[C:3](=[O:4])-[N:10](-[C:9])-[C:11].[c:1](:[c:2](:[c:5])-[Br:8]):[c:6]:[o:7]	1	32170
+[n:1]:1:[c:2]:[c:3](-[C:4]=[O:5]):[c:6](:[c:7]:[n:8]):[c:9]:1>>[C:4](=[O:5])-[N:12](-[C:11])-[C:13].[n:1]:1:[c:2]:[c:3](:[c:6](:[c:7]:[n:8]):[c:9]:1)-[Br:10]	1	32182
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+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5]-[C:6]-1>>[c:1]-[C:2](-[C:6]-[C:5]-[N:8](-[C:7])-[C:9])=[O:10].[N:3]-[N:4]	1	32272
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+[C:1]-[C:2](-[N:3])=[O:4]>>[N:3](-[C:6]-[C:5])=[C:7]=[N:8]-[C:9]-[C:10]-[C:11]-[N:12](-[C:13])-[C:14].[C:1]-[C:2](=[O:4])-[O:15]	1	32294
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]>>[N:4](-[C:8]-[C:7])=[C:9]=[N:10]-[C:11]-[C:12]-[C:13]-[N:14](-[C:15])-[C:16].[n:1]:[c:2](-[C:3](=[O:6])-[O:17]):[c:5]	1	32295
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]>>[C:1](-[C:2]-[C:3](=[O:4])-[N:5])-[O:7]-[C:6]	1	32296
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+[n:1]:[c:2]:[c:3](-[O:4]-[C:5]-[C:6]):[c:7]:[n:8]>>[C:5](-[C:6])-[Cl:9].[n:1]:[c:2]:[c:3](-[O:4]):[c:7]:[n:8]	1	32314
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+[n:1]:[c:2]:[c:3](-[C:4]#[N:5]):[c:6]:[n:7]>>[n:1]:[c:2]:[c:3](:[c:6]:[n:7])-[Cl:8].[C-:4](#[N:5])~[Zn+2:11]~[C-:10]#[N:9]	1	32343
+[C:1]-[N:2]-[c:3]:1:[c:4](-[c:5]:2:[n:6]:[c:7]:3:[c:8]:[c:9]-4:[c:10](:[c:11]:[c:12]:3:[n:13]:2)-[C:14](=[O:15])-[N:16]-[C:17]-4=[O:18]):[c:19]:[n:20]:[c:21]:[c:22]:1>>[c:3]:1(:[c:4](-[c:5]:2:[n:6]:[c:9]:3:[c:8]:[c:7]-4:[c:10](:[c:11]:[c:12]:3:[n:13]:2)-[C:14](=[O:15])-[N:16]-[C:17]-4=[O:18]):[c:19]:[n:20]:[c:21]:[c:22]:1)-[Cl:23].[C:1]-[N:2]	1	32353
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+[C:1](=[O:2])(-[C:3]=[C:4])-[N:6](-[O:5])-[C:7]>>[O:5]-[N:6].[C:1](=[O:2])(-[C:3]=[C:4])-[O:16].[C:7]-[N:9](-[C:8])-[c:10]:1:[c:11]:[c:12]:[n:13]:[c:14]:[c:15]:1	1	33261
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+[C:1]-[C:2]=[C:3](-[C:4])-[C:5]-[P:6](=[O:7])(-[O:8])-[O:9]>>[P:6](-[O:7]-[C:11])(-[O:8])-[O:9].[C:1]-[C:2]=[C:3](-[C:4])-[C:5]-[Br:10]	1	33279
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+[C:1]-[C:2]=[C:3](-[c:4])-[c:5]>>[C:3](-[c:4])(-[c:5])=[O:6].[C:1]-[C:2]-[P+:11](-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:25]:[c:24]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	33333
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+[c:1]:[c:8]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]#[C:7]-[Si:10](-[C:9])(-[C:11])-[C:12]>>[c:1]:[c:8]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[I:13].[C:6]#[C:7]-[Si:10](-[C:9])(-[C:11])-[C:12]	1	33355
+[c:1]:[c:6]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[I:7]>>[c:1]:[c:6]:1:[n:2]:[n:3]:[c:4]:[c:5]:1.[I:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	1	33356
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[s:8]:1):[c:7]>>[c:1]-[C:2](=[O:9])-[O:10].[N:3]-[c:4](:[c:5](:[c:6])-[S:8]):[c:7]	1	33378
+[c:1]:1:[c:2](:[c:3]:[n:4]):[c:5](-[I:6]):[n:7]:[n:8]:1>>[c:1]:1:[c:2](:[c:3]:[n:4]):[c:5]:[n:7]:[n:8]:1.[I:6]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	1	33393
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+[O:1]-[C:2](=[O:3])-[C:4](=[C:5])-[N:9](-[C:7](-[c:6])=[O:8])-[C:10]>>[N:9]-[C:10].[O:1]-[C:2](=[O:3])-[C:4](=[C:5])-[O:11]-[C:7](-[c:6])=[O:8]	1	33403
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]:[c:8]:[n:7]):[n:9]:1>>[N:1]-[C:2](=[N:9])-[S:11]-[C:10].[N:3]-[N:4]-[C:5](-[c:6]:[c:8]:[n:7])=[O:12]	1	33404
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7]=[C:8]>>[c:1]-[C:2](=[O:3])-[O:9].[N:4](-[C:5])-[C:6]-[C:7]=[C:8]	1	33414
+[c:1]-[N:2](-[C:3](=[O:4])-[c:5])-[c:6](:[n:7]):[s:8]>>[c:1]-[N:2]-[c:6](:[n:7]):[s:8].[C:3](=[O:4])(-[c:5])-[Cl:9]	1	33421
+[N:1](-[c:2]:1:[c:3]:[c:4]:[c:5]:2:[n:6]:[c:7](-[O:8]):[c:9]:[c:10]:[c:11]:2:[c:12]:1)-[C:13]=[O:14]>>[N:1](-[C:2]=1-[C:3]=[C:4]-[C:5]-2=[N+:6](-[C:7](=[O:8])-[C:9]-[C:10]=[C:11]-2-[C:12]=1)-[O-:15])-[C:13]=[O:14]	1	33424
+[C:1](-[C:2](-[c:3](:[c:4]):[c:5])-[C:6])=[O:7]>>[C:1](-[C:2]-[C:6])=[O:7].[c:3](:[c:4])(:[c:5])-[Br:8]	1	33430
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+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:7](=[O:8])-[O:9]>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1.[C:7](=[O:8])(-[O:9])-[Cl:10]	1	33458
+[c:1]-1:[c:2](:[c:3])-[O:4]-[C:5](=[O:6])-[C:7](-[c:8](:[c:9]:[n:10]):[c:12]:[n:11])=[C:13]-1-[C:14]>>[c:1](:[c:2](:[c:3])-[O:16])-[C:13](-[C:14])=[O:15].[O:4]-[C:5](=[O:6])-[C:7]-[c:8](:[c:9]:[n:10]):[c:12]:[n:11]	1	33469
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+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[C:6]):[n:7]:[n:8]:[c:9]:1-[O:10]>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5](-[C:6])=[O:13])-[C:9](=[O:10])-[O:12]-[C:11].[N:7]-[N:8]	1	33471
+[c:1]-[C:2](=[O:3])-[C:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[N:8](-[O:7]-[C:6])-[C:9].[C:4](-[c:5])-[Mg:11]-[Cl:10]	1	33473
+[c:1]-[C:7]-1-[C:3](-[C:2]=[O:8])-[C:4]-[N:5]-[C:6]-1>>[c:1]-[C:7]=[C:3]-[C:2]=[O:8].[C:4](-[N:5]-[C:6]-[Si:11](-[C:12])(-[C:13])-[C:14])-[O:10]-[C:9]	1	33510
+[c:1]-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1>>[c:1]-[C:2](=[O:10])-[Cl:11].[N:3]-[n+:4](:[c:5]:[c:6]):[c:8](:[c:7])-[N:9]	1	33521
+[C:1]-[N:5](-[C:3](-[C:2])=[O:4])-[C:6]-[c:7]:[c:9]:[n:8]>>[C:1]-[N:5].[C:2]-[C:3](=[O:4])-[O:11]-[C:10].[C:6](-[c:7]:[c:9]:[n:8])=[O:12]	1	33545
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[c:6]:[c:8]:[n:7]):[c:9]:[s:10]:1>>[c:1]:[c:2](:[c:3]:[c:4])-[S:10]-[C:9]-[C:5](-[c:6]:[c:8]:[n:7])=[O:11]	1	33566
+[c:1]:[c:4]:1:[c:3](:[c:2]):[o:11]:[c:6](:[n:5]:1)-[C:7](-[F:8])(-[F:9])-[F:10]>>[c:1]:[c:4](:[c:3](:[c:2])-[O:11])-[N:5].[C:6](-[C:7](-[F:8])(-[F:9])-[F:10])(=[O:12])-[O:13]	1	33569
+[c:1]:1:[n:2]:[c:3]:[n:4](-[C:5]-[C:6]):[c:7]:1:[n:8]>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:7]:1:[n:8].[C:5](-[C:6])-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12]	1	33593
+[c:1]-[C:2](-[N:3])=[O:4]>>[O:4]=[S:6](-[C:5])-[C:7].[c:1]-[C:2]#[N:3]	1	33609
+[O:1]-1-[C:2](-[C:3])(-[C:4]-1)-[c:5](:[c:6]):[s:7]>>[C:4]-[S:9](-[C:8])=[O:10].[O:1]=[C:2](-[C:3])-[c:5](:[c:6]):[s:7]	1	33610
+[c:1]:[c:2](-[S:3](-[C:4])(=[O:5])=[O:6]):[c:7]:[n:8]>>[S:3](-[C:4])(=[O:5])-[O:6].[c:1]:[c:2](:[c:7]:[n:8])-[Br:9]	1	33617
+[C:1]-[S:2](=[O:3])(=[O:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[S:2](-[O:3])=[O:4].[c:5](:[c:6])(:[c:7])-[I:8]	1	33618
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[O:5]-1>>[C:4]-[S:7]-[C:6].[C:1]-[C:2](-[C:3])=[O:5]	1	33621
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5])=[C:6](-[N:7]-[c:8])-[S:9]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5])=[C:6](-[S:9])-[S:11]-[C:10].[N:7]-[c:8]	1	33622
+[c:1](:[n:2]):[c:3]-[C:4](-[C:5])-[O:6]>>[C:5]-[Mg:8]-[Cl:7].[c:1](:[n:2]):[c:3]-[C:4]=[O:6]	1	33633
+[C:1](-[C:2])(-[O:3])-[C:4]>>[C:2]-[Mg:6]-[Cl:5].[C:1](=[O:3])-[C:4]	1	33636
+[C:1]-[C:2](-[C:3])(-[O:4])-[C:5]>>[C:1]-[Mg:7]-[Cl:6].[C:2](-[C:3])(=[O:4])-[C:5]	1	33637
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[c:6]:[c:7]:[n:8])-[c:9]>>[C:5](-[c:6]:[c:7]:[n:8])-[N+:11](-[C:10])(-[C:12])-[C:13].[N:1]-[C:2](=[O:3])-[N:4]-[c:9]	1	33640
+[c:1]:[c:2](:[c:3])-[N:4]>>[N:4]-[N+:5](-[C:6])(-[C:7])-[C:8].[c:1]:[c:2]:[c:3]	1	33641
+[O:1]-[C:2](=[O:3])-[C:4]-1-[C:5]-[C:6]-1-[c:7]>>[C:5]-[S+:9](-[C:8])(-[C:10])=[O:11].[O:1]-[C:2](=[O:3])-[C:4]=[C:6]-[c:7]	1	33647
+[c:1]-[C:2]-1(-[c:3])-[C:4]-[O:5]-1>>[C:4]-[S+:7](-[C:6])-[C:8].[c:1]-[C:2](-[c:3])=[O:5]	1	33651
+[c:1]-[C:2]-1-[C:3]-[O:4]-1>>[C:3]-[S+:6](-[C:5])-[C:7].[c:1]-[C:2]=[O:4]	1	33652
+[c:1]:1(:[n:2]:[c:3]:[c:4]:[c:5]:2:[n:6]:[n:7]:[c:8]:[c:9]:1:2)-[Br:10]>>[Br:10]-[Si:12](-[C:11])(-[C:13])-[C:14].[c:1]:1(:[n:2]:[c:3]:[c:4]:[c:5]:2:[n:6]:[n:7]:[c:8]:[c:9]:1:2)-[Cl:15]	1	33653
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[Si:5](-[C:4])(-[C:6])-[C:7].[c:1]-[C:2]-[O:8]	1	33654
+[n:1]:[c:2]:[c:7]:[c:4](:[c:3])-[C:5]#[C:6]-[Si:9](-[C:8])(-[C:10])-[C:11]>>[C:5]#[C:6]-[Si:9](-[C:8])(-[C:10])-[C:11].[n:1]:[c:2]:[c:7]:[c:4](:[c:3])-[I:12]	1	33661
+[C:1](-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1)#[C:7]-[Si:9](-[C:8])(-[C:10])-[C:11]>>[C:1]#[C:7]-[Si:9](-[C:8])(-[C:10])-[C:11].[c:2]:1(:[c:3]:[n:4]:[n:5]:[c:6]:1)-[I:12]	1	33662
+[C:1]-[Si:2](-[C:3])(-[C:4])-[C:5]#[C:6]-[c:7]:1:[c:8]:[c:9]:[n:10]:[c:11]:[c:12]:1>>[C:1]-[Si:2](-[C:3])(-[C:4])-[C:5]#[C:6].[c:7]:1(:[c:8]:[c:9]:[n:10]:[c:11]:[c:12]:1)-[I:13]	1	33669
+[C:1](#[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1)-[Si:9](-[C:8])(-[C:10])-[C:11]>>[C:1](#[C:2])-[Si:9](-[C:8])(-[C:10])-[C:11].[c:3]:1(:[c:4]:[c:5]:[c:6]:[s:7]:1)-[Br:12]	1	33679
+[C:1]-[Si:2](-[C:3])(-[C:4])-[c:5]:1:[c:6]:[n:7](-[c:8]):[n:9]:[n:10]:1>>[C:1]-[Si:2](-[C:3])(-[C:4])-[C:5]#[C:6].[N:7](-[c:8])=[N+:9]=[N-:10]	1	33680
+[c:1](:[n:2]:[c:3](-[C:4]#[C:5]-[Si:9](-[C:8])(-[C:10])-[C:11]):[c:6]):[c:7]>>[C:4]#[C:5]-[Si:9](-[C:8])(-[C:10])-[C:11].[c:1](:[n:2]:[c:3](:[c:6])-[I:12]):[c:7]	1	33696
+[O:1]=[C:2]-1-[N:3]=[C:4](-[c:5])-[N:6]-[N:7]-1.[c:8]:[c:9](-[C:10]#[C:11]-[Si:14](-[C:13])(-[C:15])-[C:16]):[c:12]>>[C:10]#[C:11]-[Si:14](-[C:13])(-[C:15])-[C:16].[O:1]=[C:2]-1-[N:3]-[C:4](-[c:5])=[N:6]-[N:7]-1.[c:8]:[c:9](:[c:12])-[I:17]	1	33711
+[C:1](#[C:2]-[c:3](:[c:4]):[n:6]:[n:5])-[Si:8](-[C:7])(-[C:9])-[C:10]>>[C:1](#[C:2])-[Si:8](-[C:7])(-[C:9])-[C:10].[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:11]	1	33719
+[C:1](#[C:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[Si:9](-[C:8])(-[C:10])-[C:11]>>[C:1](#[C:2])-[Si:9](-[C:8])(-[C:10])-[C:11].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[Br:12]	1	33722
+[c:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5](:[c:6]:1):[c:7](-[C:8]):[c:9](-[Si:10](-[C:11])(-[C:12])-[C:13]):[n:14]:2>>[C:7](-[C:8])#[C:9]-[Si:10](-[C:11])(-[C:12])-[C:13].[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5](:[c:6]:1)-[I:15])-[N:14]	1	33729
+[O:1]=[C:2](-[C:3])-[c:4]:1:[n:5]:[c:6]:[c:7]:[o:8]:1>>[O:1]=[C:2](-[C:3])-[Cl:9].[c:4]:1:[n:5]:[c:6]:[c:7]:[o:8]:1	1	33730
+[C:1]#[C:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[C:1]#[C:2]-[Si:8](-[C:7])(-[C:9])-[C:10].[c:3](:[c:4])(:[c:6]:[n:5])-[I:11]	1	33816
+[c:1]:[c:2]:1:[n:3]:[c:4](:[c:5](-[c:6]):[c:7]:1:[c:8])-[Si:10](-[C:9])(-[C:11])-[C:12]>>[C:4](#[C:5]-[c:6])-[Si:10](-[C:9])(-[C:11])-[C:12].[c:1]:[c:2](-[N:3]):[c:7](:[c:8])-[I:13]	1	33826
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[N+:6](-[C:7](=[C:8]=[N-:9])-[C:10](-[Cl:11])=[C:12]-1)=[O:18])-[Cl:13]>>[C:8](#[N:9])-[Si:15](-[C:14])(-[C:16])-[C:17].[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](:[n+:6](:[c:7]:[c:10](-[Cl:11]):[c:12]:1)-[O-:18])-[Cl:13]	1	33847
+[C:1]-[C:2]-1=[C:3](-[C:4]=[C:5]-[C:6](=[C:7]=[N-:8])-[N+:9]-1=[O:15])-[C:10]>>[C:7](#[N:8])-[Si:12](-[C:11])(-[C:13])-[C:14].[C:1]-[c:2]:1:[c:3](:[c:4]:[c:5]:[c:6]:[n+:9]:1-[O-:15])-[C:10]	1	33848
+[N-:1]=[C:2]=[C:3]-1-[N+:4](-[C:5](=[C:6]-[C:7](-[C:8](-[F:9])(-[F:10])-[F:11])=[C:12]-1)-[Cl:16])=[O:15]>>[N:1]#[C:2]-[Si:18](-[C:13])(-[C:14])-[C:17].[c:3]:1:[n+:4](:[c:5](:[c:6]:[c:7](-[C:8](-[F:9])(-[F:10])-[F:11]):[c:12]:1)-[Cl:16])-[O-:15]	1	33849
+[c:1]:1:[c:2]:2:[o:3]:[c:4](-[N:5]):[c:6](-[N:7]-[c:8]):[c:9]:2:[c:10]:[c:11]:[n:12]:1>>[C:4](#[N:5])-[Si:14](-[C:13])(-[C:15])-[C:16].[c:1]:1:[c:2](-[O:3]):[c:9](-[C:6]=[N:7]-[c:8]):[c:10]:[c:11]:[n:12]:1	1	33850
+[C:1]-[C:2]-1=[C:3]-[C:4](=[C:5]=[N-:6])-[N+:7](-[c:8](:[c:9]):[c:11]-1:[c:10])=[O:16]>>[C:5](#[N:6])-[Si:13](-[C:12])(-[C:14])-[C:15].[C:1]-[c:2]:1:[c:3]:[c:4]:[n+:7](:[c:8](:[c:9]):[c:11]:1:[c:10])-[O-:16]	1	33852
+[N:1]#[C:2]-[C:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1>>[N:1]#[C:2]-[Si:10](-[C:9])(-[C:11])-[C:12].[C:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)-[O:13]	1	33854
+[C:1]-[C:2]-1=[C:3]-[C:4]=[C:5](-[C:6])-[C:9](=[C:7]=[N-:8])-[N+:10]-1=[O:15]>>[C:7](#[N:8])-[Si:12](-[C:11])(-[C:13])-[C:14].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]):[c:9]:[n+:10]:1-[O-:15]	1	33857
+[C:1]-[C:2]-1=[C:3]-[N+:4](-[C:5](=[C:6]=[N-:7])-[C:8]=[C:9]-1)=[O:14]>>[C:6](#[N:7])-[Si:11](-[C:10])(-[C:12])-[C:13].[C:1]-[c:2]:1:[c:3]:[n+:4](:[c:5]:[c:8]:[c:9]:1)-[O-:14]	1	33858
+[c:1]-[C:2]-1=[C:3](-[C:4])-[C:5]=[C:6]-[C:7](=[C:8]=[N-:9])-[N+:10]-1=[O:15]>>[C:8](#[N:9])-[Si:12](-[C:11])(-[C:13])-[C:14].[c:1]-[c:2]:1:[c:3](-[C:4]):[c:5]:[c:6]:[c:7]:[n+:10]:1-[O-:15]	1	33861
+[c:1]-[C:2](-[O:3])-[C:4]#[N:5]>>[C:4](#[N:5])-[Si:7](-[C:6])(-[C:8])-[C:9].[c:1]-[C:2]=[O:3]	1	33868
+[N:1]#[C:2]-[C:3](-[N:4]-[c:5])-[c:6]>>[N:1]#[C:2]-[Si:8](-[C:7])(-[C:9])-[C:10].[C:3](-[c:6])=[O:11].[N:4]-[c:5]	1	33869
+[N:1]#[C:2]-[C:3]-1-[C:4]=[C:5]-[c:6](:[c:7]):[c:9](:[c:8])-[N:10]-1-[C:11](=[O:12])-[c:13]>>[N:1]#[C:2]-[Si:18](-[C:14])(-[C:15])-[C:17].[C:11](=[O:12])(-[c:13])-[Cl:16].[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:1	1	33870
+[c:1]-[C:2](-[N:3]-[c:4])-[C:6]#[N:5]>>[N:5]#[C:6]-[Si:8](-[C:7])(-[C:9])-[C:10].[c:1]-[C:2]=[N:3]-[c:4]	1	33873
+[c:1]:1:[n:2]:[n:3](-[C:4]):[n:5]:[n:6]:1>>[C:4](-[Si:8](-[C:7])(-[C:9])-[C:10])=[N+:11]=[N-:12].[c:1]:1:[n:2]:[n:3]:[n:5]:[n:6]:1	1	33875
+[C:1]-[Si:2](-[C:3])(-[C:4])-[C:5]-[C:6]=[C:7]-[C:8]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[C:5]-[C:6]=[C:9].[C:7](-[C:8])=[C:10]	1	33880
+[c:1]-[N:2]-[c:3](:[c:4]-[C:5](=[O:6])-[O:7]):[c:8]>>[c:1]-[N:2].[c:3](:[c:4]-[C:5](=[O:6])-[O-:7])(:[c:8])-[I+:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1	1	33884
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:6])-[C:7](-[c:8])-[C:9](-[C:10](-[N:11])=[O:12])=[C:13](-[N:14])-[N:15]-1-[c:16]>>[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[O:6])-[N:15]-[c:16].[C:9](-[C:10](-[N:11])=[O:12])-[C:13]#[N:14].[C:7](-[c:8])=[O:17]	1	33885
+[C:1](=[O:2])-[O:3]>>[C:1](=[O:2])-[O:3]-[C:9]-[C:8]-[Si:5](-[C:4])(-[C:6])-[C:7]	1	33889
+[O:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7]>>[O:1]-[C:2]-[Cl:9].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7]	1	33899
+[O:1]-[C:2]-[n:3]:1:[n:4]:[n:5]:[c:6]:[c:7]:1:[c:8]>>[O:1]-[C:2]-[Cl:9].[n:3]:1:[n:4]:[n:5]:[c:6]:[c:7]:1:[c:8]	1	33913
+[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:1-[C:7]-[O:8]):[n:9]>>[C:7](-[O:8])-[Cl:10].[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:1):[n:9]	1	33925
+[N:1]-[c:2](:[c:3]):[n:4]>>[N:1](-[c:2](:[c:3]):[n:4])(-[C:5]-[O:6]-[C:7]-[C:8]-[Si:9](-[C:10])(-[C:11])-[C:12])-[C:20]-[O:19]-[C:18]-[C:17]-[Si:14](-[C:13])(-[C:15])-[C:16]	1	33930
+[C:1]-[C:2](-[N:3])-[c:4](:[n:5]):[c:6]>>[C:1]-[C:2](=[N:3]-[O:7])-[c:4](:[n:5]):[c:6]	1	33931
+[n:1]:[c:2]:[c:3]:1-[N:4]-[C:5](=[O:6])-[N:7]-[c:8]:1:[n:9]>>[n:1]:[c:2]:[c:3]:1-[N:4](-[C:5](=[O:6])-[N:7]-[c:8]:1:[n:9])-[C:17]-[O:16]-[C:15]-[C:14]-[Si:11](-[C:10])(-[C:12])-[C:13]	1	33939
+[c:1](:[n:2]):[c:3]-[O:4]-[C:5](=[N:6])-[N:9]-[C:7]=[O:8]>>[C:5](=[N:6])(-[N:9]-[C:7]=[O:8])-[Cl:10].[c:1](:[n:2]):[c:3]-[O:4]	1	33973
+[c:1]:[c:3](:[n:2])-[C:4](=[N:5]-[N:6])-[C:7]>>[c:1]:[c:3](:[n:2])-[C:4](-[C:7])=[O:8].[N:5]-[N:6]	1	33984
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:14]-[O:13]-[C:12]-[C:11]-[Si:8](-[C:7])(-[C:9])-[C:10]	1	33985
+[c:1]:1:[n:2]:[c:3]:[c:5](:[n:4]):[n:6]:1>>[c:1]:1:[n:2]:[c:3]:[c:5](:[n:4]):[n:6]:1-[C:14]-[O:13]-[C:12]-[C:11]-[Si:8](-[C:7])(-[C:9])-[C:10]	1	33988
+[c:1]:1:[c:2]:[c:3](:[n:4]):[c:6](:[c:5]):[n:7]:1>>[c:1]:1:[c:2]:[c:3](:[n:4]):[c:6](:[c:5]):[n:7]:1-[C:15]-[O:14]-[C:13]-[C:12]-[Si:9](-[C:8])(-[C:10])-[C:11]	1	33989
+[c:1]:1:[c:2]:[c:3]:[c:4](:[c:5]:[n:6]):[n:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[c:5]:[n:6]):[n:7]:1-[C:15]-[O:14]-[C:13]-[C:12]-[Si:9](-[C:8])(-[C:10])-[C:11]	1	33999
+[c:1]:1:[c:2](-[N:3]-[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2):[n:9]:[c:10](:[c:11]):[c:12]:[n:13]:1>>[c:1]:1:[c:2](:[n:9]:[c:10](:[c:11]):[c:12]:[n:13]:1)-[Br:14].[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1	1	34000
+[c:1](-[N:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:8](:[c:7]):[n:9]:1):[c:10]:[n:11]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:8](:[c:7]):[n:9]:1)-[Br:12].[c:1](-[N:2]):[c:10]:[n:11]	1	34006
+[c:1]:[c:9]:1:[c:2]:[n:3]:[c:4]:[c:5](-[N:6]-[c:7]):[n:8]:1>>[c:1]:[c:9]:1:[c:2]:[n:3]:[c:4]:[c:5](:[n:8]:1)-[Br:10].[N:6]-[c:7]	1	34007
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[c:6])-[c:7]:[c:8]:[n:9]>>[N:1]-[C:2](=[O:3])-[N:4]-[c:7]:[c:8]:[n:9].[C:5](-[c:6])-[Br:10]	1	34010
+[S:1]=[C:2]-1-[N:3]-[N:4]=[C:5]-2-[C:6]=[C:7]-[C:8](-[c:9]:3:[c:10]:[n:11]:[n:12]:[c:13]:3)=[N:14]-[N:15]-1-2>>[N:3]-[N:4]-[c:5]:1:[c:6]:[c:7]:[c:8](-[c:9]:2:[c:10]:[n:11]:[n:12]:[c:13]:2):[n:14]:[n:15]:1.[S:1]=[C:2]=[S:16]	1	34020
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[n:9]>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[n:9])-[Cl:10].[c:1]-[O:2]	1	34042
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[c:6](:[c:7]:[n:8]):[c:9]-1>>[C:1]-[N:2]-[c:9]:[c:6](-[C:3](=[O:4])-[O:17]):[c:7]:[n:8].[N:5](=[N+:19]=[N-:18])-[P:20](-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)(=[O:21])-[c:22]:2:[c:10]:[c:26]:[c:25]:[c:24]:[c:23]:2	1	34068
+[c:1]:1:[n:2]:[n:3]:[c:4](:[n:5]):[c:6]:1>>[c:1]:1:[n:2]:[n:3](:[c:4](:[n:5]):[c:6]:1)-[C:14]-[O:13]-[C:12]-[C:11]-[Si:8](-[C:7])(-[C:9])-[C:10]	1	34087
+[n:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:1>>[n:1]:1:[c:2]:[c:3]:[c:4]:[n:8]:1.[c:5](:[c:6])(:[c:7])-[Br:9]	1	34099
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1>>[c:1]:[c:2]:1:[n:3](:[n:4]:[c:5]:[c:6]:1)-[C:14]-[O:13]-[C:12]-[C:11]-[Si:8](-[C:7])(-[C:9])-[C:10]	1	34106
+[N:1]-1-[C:2]-[C:3](-[C:4](=[O:5])-[C:6])-[C:8](-[C:7])-[C:9]-1>>[N:1](-[C:2]-[Si:18](-[C:10])(-[C:11])-[C:12])-[C:9]-[O:17]-[C:16]-[C:15]-[C:14]-[C:13].[C:3](-[C:4](=[O:5])-[C:6])=[C:8]-[C:7]	1	34111
+[C:1](-[n:2]:1:[c:3]:[c:4](-[c:5](:[c:6]):[n:7]):[n:8]:[n:9]:1)-[Si:11](-[C:10])(-[C:12])-[C:13]>>[C:1](-[N:2]=[N+:9]=[N-:8])-[Si:11](-[C:10])(-[C:12])-[C:13].[C:3]#[C:4]-[c:5](:[c:6]):[n:7]	1	34112
+[c:1](:[c:2]:[n:9])-[C:4](-[c:3])-[Si:5](-[C:6])(-[C:7])-[C:8]>>[Si:5](-[C:6])(-[C:7])(-[C:8])-[Cl:10].[c:1](:[c:2]:[n:9])-[C:4]-[c:3]	1	34124
+[C:1]=[C:2](-[C:3])-[O:4]-[Si:5](-[C:6])(-[C:7])-[C:8]>>[Si:5](-[C:6])(-[C:7])(-[C:8])-[Cl:9].[C:1]-[C:2](-[C:3])=[O:4]	1	34125
+[N:1]#[C:2]-[N:3]=[C:4](-[C:5])-[c:6]>>[N:1](=[C:2]=[N:3]-[Si:11](-[C:12])(-[C:13])-[C:14])-[Si:8](-[C:7])(-[C:9])-[C:10].[C:4](-[C:5])(-[c:6])=[O:15]	1	34132
+[C:1]-[N:2]-[C:3](-[N:4])=[O:5]>>[C:3](=[N:4]-[Si:7](-[C:6])(-[C:8])-[C:9])=[O:5].[C:1]-[N:2]	1	34134
+[c:1]-[n:2]:1:[c:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[F:8]):[n:9]:[n:10]:1>>[N:9](=[N+:10]=[N-:15])-[Si:12](-[C:11])(-[C:13])-[C:14].[C:3]#[C:4]-[C:5](-[F:6])(-[F:7])-[F:8].[c:1]-[N:2]	1	34136
+[c:1]-[c:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1>>[N-:4]=[N+:5]=[N:6]-[Si:8](-[C:7])(-[C:9])-[C:10].[c:1]-[C:2]#[C:3]	1	34137
+[N:1]-[C:2](=[O:3])-[C:4](-[c:5]:1:[n:6]:[n:7]:[n:8]:[n:9]:1)=[C:10]-[N:11]>>[N+:7](=[N:8]-[Si:13](-[C:12])(-[C:14])-[C:15])=[N-:9].[N:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])=[C:10]-[N:11]	1	34140
+[n:1]:1:[n:2]:[n:3]:[c:4](-[C:5]-[C:6](=[O:7])-[O:8]):[n:9]:1>>[N-:1]=[N+:2]=[N:3]-[Si:11](-[C:10])(-[C:12])-[C:13].[C:4](-[C:5]-[C:6](=[O:7])-[O:8])#[N:9]	1	34142
+[N-:1]=[N+:2]=[N:3]-[c:4]>>[N-:1]=[N+:2]=[N:9]-[Si:6](-[C:5])(-[C:7])-[C:8].[N:3]-[c:4]	1	34146
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[N-:4]=[N+:5]=[N:6]-[Si:8](-[C:7])(-[C:9])-[C:10].[c:1]-[C:2]#[N:3]	1	34153
+[O:1]=[C:2]-1-[N:3]-[N:4]=[N:5]-[N:6]-1-[c:7]>>[N:3](=[N+:5]=[N-:4])-[Si:9](-[C:8])(-[C:10])-[C:11].[O:1]=[C:2]=[N:6]-[c:7]	1	34156
+[c:1](-[c:2]:1:[c:3](-[c:4]):[n:5]:[n:6]:[n:7]:1):[c:8]:[n:9]>>[N:5](=[N+:6]=[N-:7])-[Si:11](-[C:10])(-[C:12])-[C:13].[c:1](-[C:2]#[C:3]-[c:4]):[c:8]:[n:9]	1	34158
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[C:8]=[C:9]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[N:14]-[Si:11](-[C:10])(-[C:12])-[C:13].[O:5]-[C:6](=[O:7])-[C:8]=[C:9]	1	34162
+[N:1]-[C:2](=[N:3])-[c:4]>>[N:3](-[Si:6](-[C:5])(-[C:7])-[C:8])-[Si:9](-[C:10])(-[C:11])-[C:12].[N:1]#[C:2]-[c:4]	1	34165
+[C:1]-[C:5]#[C:4]-[C:2](-[c:3])=[O:6]>>[C:1]-[C:5]#[C:4].[C:2](-[c:3])(=[O:6])-[N:9](-[O:8]-[C:7])-[C:10]	1	34167
+[C:1]-[C:2]=[C:3]-[I:4]>>[C:1]-[C:2]#[C:3].[I:4]-[I:5]	1	34169
+[C:1]-[C:2](-[C:3])(-[C:4](=[O:5])-[O:9])-[C:6](-[c:7])-[c:8]>>[C:1]-[C:2](-[C:3])=[C:4](-[O:5]-[Si:11](-[C:10])(-[C:12])-[C:13])-[O:9].[C:6](-[c:7])(-[c:8])-[O:14]	1	34171
+[O:1]-[C:2](=[O:3])-[C:4]-[O:5]>>[O:1]-[C:2](=[O:3])-[C:4]-[O:5]-[Si:7](-[C:6])(-[C:8])-[C:9]	1	34172
+[C:1](=[O:2])(-[C:3](-[C:4])-[c:5])-[O:6]>>[C:1](-[C:3](-[C:4])(-[c:5])-[O:6]-[Si:8](-[C:7])(-[C:9])-[C:10])#[N:11].[O:2]=[C:13](-[C:12])-[O:14]	1	34176
+[C:1]=[C:2](-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7])-[c:8]>>[Si:4](-[C:5])(-[C:6])(-[C:7])-[O:12]-[S:10](=[O:9])(=[O:11])-[C:13](-[F:14])(-[F:15])-[F:16].[C:1]-[C:2](=[O:3])-[c:8]	1	34205
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1>>[c:1]:[c:2]:1:[n:3]:[c:4](:[c:5]:[c:6]:1)-[Si:8](-[C:7])(-[C:9])-[C:10]	1	34206
+[n:1]:[n:2]:[c:3](-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]):[c:9]>>[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Zn+:10].[n:1]:[n:2]:[c:3](:[c:9])-[Cl:11]	1	34208
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:[c:6]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1)-[Si:8](-[C:7])(-[C:9])-[C:10]	1	34209
+[c:1]-[C:2](=[O:3])-[C:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[O:7]-[C:6].[C:4](-[c:5])-[C:9](=[O:8])-[O:10]	1	34214
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6])-[N:7]=[N+:9]=[N-:8]>>[C:5](-[c:6])=[O:10].[O:1]-[C:2](=[O:3])-[C:4]-[N:7]=[N+:9]=[N-:8]	1	34228
+[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1-[C:7]-[c:8]>>[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1.[C:7](-[c:8])-[O:9]	1	34230
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5]#[N:6]):[n:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[n:7]:[c:8]:1)-[Cl:9].[C:5]#[N:6]	1	34235
+[c:1](-[Si:2](-[C:3])(-[C:4])-[C:5]):[c:6](-[N+:7](=[O:8])-[O-:9]):[c:10]>>[c:1](-[Si:2](-[C:3])(-[C:4])-[C:5]):[c:6]:[c:10].[N+:7](-[O:8])(-[O-:9])=[O:11]	1	34244
+[c:1]-[Si:2](-[C:3])(-[C:4])-[C:5]-[I:6]>>[c:1]-[Si:2](-[C:3])(-[C:4])-[C:5]-[Cl:7].[I:6]	1	34249
+[c:1]:[c:2](-[C:3]):[c:4]>>[C:3]-[Sn:7](-[C:6])(-[C:8])-[C:9].[c:1]:[c:2](:[c:4])-[Br:5]	1	34250
+[C:1]-[c:2](:[c:3]):[c:5](:[c:4]:[n:7]):[n:6]>>[C:1]-[Sn:10](-[C:9])(-[C:11])-[C:12].[c:2](:[c:3])(:[c:5](:[c:4]:[n:7]):[n:6])-[Br:8]	1	34251
+[C:1]-[c:2]:1:[c:3](:[c:4]:[c:5]:[c:6]:[n:7]:1):[n:8]>>[C:1]-[Sn:11](-[C:10])(-[C:12])-[C:13].[c:2]:1(:[c:3](:[c:4]:[c:5]:[c:6]:[n:7]:1):[n:8])-[Br:9]	1	34252
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[N+:4](=[N:5]-[Sn:8](-[C:7])(-[C:9])-[C:10])=[N-:6].[c:1]-[C:2]#[N:3]	1	34254
+[c:1]-[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Sn:9](-[C:8])(-[C:10])-[C:11].[c:1]-[C:2]-[Cl:12]	1	34255
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+[C:1]-[S:2]>>[C:1](-[S:2])#[N:3]	1	34363
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+[c:1]:1(:[n:2]:[c:3](-[c:4]):[n:5]:[n:6]:2:[c:7]:[n:8]:[c:9]:[c:10]:1:2)-[n:12]:3:[c:11]:[n:15]:[c:14]:[n:13]:3>>[C:1]-1(-[N:2]=[C:3](-[c:4])-[N:5]-[n:6]:2:[c:7]:[n:8]:[c:9]:[c:10]-1:2)=[O:16].[c:11]:1:[n:12]:[n:13]:[c:14]:[n:15]:1	1	34403
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+[C:1]-[c:2]:1:[c:3](-[C:4]):[n:5]:2:[c:6]:[c:7]:[c:8](:[c:9]:[c:11]:2:[n:12]:1):[n:10]>>[C:1]-[C:2](-[C:3](-[C:4])-[Br:14])=[O:13].[n:5]:1:[c:6]:[c:7]:[c:8](:[c:9]:[c:11]:1-[N:12]):[n:10]	1	34406
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+[c:1]-[N:5](-[C:3](-[C:2])=[O:4])-[C:6]-[c:7](:[c:8]):[o:9]>>[c:1]-[N:5]-[C:3](-[C:2])=[O:4].[C:6](-[c:7](:[c:8]):[o:9])-[Br:10]	1	34539
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+[c:1]:[c:2](-[N+:3](=[O:7])-[O-:8]):[c:4]:[c:5]:[n:6]>>[c:1]:[c:2]:[c:4]:[c:5]:[n:6].[N+:3](=[O:7])(-[O:8])-[O-:9]	1	34560
+[C:1]=[C:2]-[c:3](:[c:4]):[c:6](:[c:5]):[n:7]>>[C:1]=[C:2].[c:3](:[c:4])(:[c:6](:[c:5]):[n:7])-[Br:8]	1	34562
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+[n:1](:[c:2]:[c:3]):[c:5](:[c:4])-[O:6]>>[n:1](:[c:2]:[c:3]):[c:5](:[c:4])-[Cl:7].[O:6]	1	34616
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2-[c:11](:[c:12]-1:[c:13]):[c:14]>>[n:3]:1:[c:4](-[O:5]):[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2:[c:11](:[c:12]:1:[c:13]):[c:14].[C:1]-[C:2]-[Cl:15]	1	34620
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+[c:1]:[c:10]:1:[n:4](:[c:3]:[c:2]):[c:5](-[C:6]#[N:7]):[c:8]:[c:9]:1>>[c:1]:[c:10]:1:[n:4](:[c:3]:[c:2]):[c:5](:[c:8]:[c:9]:1)-[Br:12].[C-:6](#[N:7])~[Cu+:11]	1	34730
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[N:6]-2-[C:7](=[O:8])-[N:9]-[c:10](:[c:11]-2):[c:13]:[n:12]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[N:6]-[c:11]:[c:10](-[N:9]):[c:13]:[n:12].[C:7](=[O:8])(-[O:18]-[C:15](-[Cl:14])(-[Cl:16])-[Cl:17])-[Cl:19]	1	34739
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+[C:1]-[C:2]=[C:3](-[C:4]=[O:5])-[N:6]>>[C:1]-[C:2]=[C:3](-[C:4])-[N:6].[O:5]=[Se:8]=[O:7]	1	34750
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+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[Cl:6]>>[C:4](=[O:5])(-[O:11]-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16].[Cl:6].[C:1]-[N:3]-[C:2]	1	34764
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+[c:1]:1:[n:2]:[c:3](-[Cl:4]):[c:5]:[n:6]:[c:7]:1>>[Cl:4].[c:1]:1:[n:2]:[c:3](:[c:5]:[n:6]:[c:7]:1)-[N:8]	1	34779
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+[n:1]:[c:2](-[C:3]-[Cl:5]):[c:4]>>[Cl:5].[n:1]:[c:2](-[C:3]-[O:6]):[c:4]	1	34793
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+[N:1]-1-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[N:7](-[c:8])-[c:9]:[c:10]-1>>[C:2](=[O:3])(-[C:4]-[C:5](=[O:6])-[Cl:11])-[Cl:12].[N:1]-[c:10]:[c:9]-[N:7]-[c:8]	1	34808
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+[C:1]-[N:2](-[C:3](=[O:4])-[Cl:6])-[C:5]>>[C:3](=[O:4])(-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17].[Cl:6]-[C:7]-[Cl:18].[C:1]-[N:2]-[C:5]	1	34876
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+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[c:8]>>[C:3](=[O:4])(-[O:13]-[C:10](-[Cl:9])(-[Cl:11])-[Cl:12])-[O:14]-[C:15](-[Cl:16])(-[Cl:17])-[Cl:18].[N:5]-[c:6](:[n:7]):[c:8].[c:1]-[N:2]	1	34882
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+[O:1]=[C:2](-[N:3]-[c:4])-[N:5]-[c:6]>>[O:1]=[C:2](-[O:14]-[C:11](-[Cl:10])(-[Cl:12])-[Cl:13])-[O:15]-[C:16](-[Cl:7])(-[Cl:8])-[Cl:9].[N:3]-[c:4].[N:5]-[c:6]	1	34897
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+[c:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[c:6]:[c:8]-1:[n:7]>>[C:3](=[O:4])(-[O:13]-[C:10](-[Cl:9])(-[Cl:11])-[Cl:12])-[O:14]-[C:15](-[Cl:16])(-[Cl:17])-[Cl:18].[c:1]-[N:2]-[c:8](:[c:6]-[N:5]):[n:7]	1	34907
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6]=[O:7])-[c:8]>>[C:3](=[O:4])(-[O:13]-[C:10](-[Cl:9])(-[Cl:11])-[Cl:12])-[O:14]-[C:15](-[Cl:16])(-[Cl:17])-[Cl:18].[C:1]-[N:2]-[c:8].[O:5]-[C:6]=[O:7]	1	34908
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[C:5]-[N:6](-[c:7](:[n:8]):[c:10]:[n:9])-[C:11](=[O:12])-[O:13]-1>>[C:11](=[O:12])(-[O:18]-[C:15](-[Cl:14])(-[Cl:16])-[Cl:17])-[O:19]-[C:20](-[Cl:21])(-[Cl:22])-[Cl:23].[C:1]-[C:2](-[C:3])(-[C:4]-[C:5]-[N:6]-[c:7](:[n:8]):[c:10]:[n:9])-[O:13]	1	34910
+[c:1]-[C:2]-1=[C:3](-[C:4]-2=[N:5]-[N:6]-[C:7](=[O:8])-[N:9]-2-[C:10]=[C:11]-1)-[Cl:12]>>[C:7](=[O:8])(-[O:17]-[C:14](-[Cl:13])(-[Cl:15])-[Cl:16])-[O:18]-[C:19](-[Cl:20])(-[Cl:21])-[Cl:22].[c:1]-[c:2]:1:[c:3](:[c:4](-[N:5]-[N:6]):[n:9]:[c:10]:[c:11]:1)-[Cl:12]	1	34912
+[C:1]-1-[N:2]-[C:3](=[O:4])-[N:5](-[c:6])-[C:7]-1=[O:8]>>[C:3](=[O:4])(-[O:13]-[C:10](-[Cl:9])(-[Cl:11])-[Cl:12])-[O:14]-[C:15](-[Cl:16])(-[Cl:17])-[Cl:18].[C:1](-[N:2])-[C:7](-[N:5]-[c:6])=[O:8]	1	34916
+[C:1](=[O:2])(-[O:3]-[C:4])-[Cl:5]>>[C:1](=[O:2])(-[O:11]-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10])-[O:12]-[C:13](-[Cl:5])(-[Cl:6])-[Cl:14].[O:3]-[C:4]	1	34918
+[C:1](=[O:2])(-[C:3]-[N:6]-1-[C:5]-[C:4]-[N:9](-[C:7]-1=[O:8])-[O:10])-[O:11]>>[C:7](=[O:8])(-[O:16]-[C:13](-[Cl:12])(-[Cl:14])-[Cl:15])-[O:17]-[C:18](-[Cl:19])(-[Cl:20])-[Cl:21].[C:1](=[O:2])(-[C:3]-[N:6]-[C:5]-[C:4]-[N:9]-[O:10])-[O:11]	1	34919
+[O:1]=[C:2]-1-[N:3]-[c:4](:[n:5]):[c:8](:[c:7]:[n:6])-[N:9]-1>>[O:1]=[C:2](-[O:14]-[C:11](-[Cl:10])(-[Cl:12])-[Cl:13])-[O:15]-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19].[N:3]-[c:4](:[n:5]):[c:8](:[c:7]:[n:6])-[N:9]	1	34920
+[C:1](-[n:2]:1:[c:3]:[c:4]:[c:5]:[c:7]:1:[c:6])-[Cl:8]>>[C:1](-[n:2]:1:[c:3]:[c:4]:[c:5]:[c:7]:1:[c:6])-[O:12].[Cl:8]-[S:10](=[O:9])-[Cl:11]	1	34923
+[N:1]#[C:2]-[C:3](-[C:4]#[N:5])(-[C:6])-[C:7]-[n:8]:1:[c:9]:[c:10]:[c:11]:[c:13]:1:[c:12]>>[C:7](-[n:8]:1:[c:9]:[c:10]:[c:11]:[c:13]:1:[c:12])-[Cl:14].[N:1]#[C:2]-[C:3](-[C:4]#[N:5])-[C:6]	1	34924
+[O:1]=[C:2]-[O:3]-[C:7](-[N:4]-[c:5])=[O:6]>>[O:1]=[C:2]-[O:3].[N:4]-[c:5].[O:6]=[C:7](-[Cl:8])-[Cl:9]	1	34938
+[O:1]=[C:2]-[N:6](-[C:5](-[N:4]-[c:3])=[O:8])-[C:7]>>[O:1]=[C:2]-[N:6]-[C:7].[c:3]-[N:4].[C:5](=[O:8])(-[Cl:9])-[Cl:10]	1	34940
+[C:1](-[N:2]=[C:3]=[O:4])-[C:5](=[O:6])-[O:7]>>[C:3](=[O:4])(-[Cl:8])-[Cl:9].[C:1](-[N:2])-[C:5](=[O:6])-[O:7]	1	34942
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]-[C:7]>>[C:4](=[O:5])(-[Cl:8])-[Cl:9].[C:1]-[N:2]-[C:3].[N:6]-[C:7]	1	34943
+[O:1]=[C:2](-[Cl:3])-[N:4](-[C:5])-[c:6]>>[O:1]=[C:2](-[Cl:3])-[Cl:7].[N:4](-[C:5])-[c:6]	1	34952
+[C:1](=[O:2])(-[N:3](-[C:4])-[C:5])-[Cl:6]>>[C:1](=[O:2])(-[Cl:6])-[Cl:7].[N:3](-[C:4])(-[C:5])-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1	1	34959
+[C:1](=[O:2])(-[N:3])-[Cl:4]>>[O:2]=[C:5](-[Cl:4])-[Cl:18].[C:1](-[N:3])(-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:17]:[c:16]:1)-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2	1	34963
+[C:1]-[N:2]-1-[C:3]-[C:4]-[N:5](-[c:6])-[C:7]-1=[O:8]>>[C:7](=[O:8])(-[Cl:9])-[Cl:10].[C:1]-[N:2]-[C:3]-[C:4]-[N:5]-[c:6]	1	34965
+[O:1]=[C:2](-[C:3](-[Cl:4])=[N:5]-[c:6])-[N:7]>>[Cl:4]-[C:9](=[O:8])-[Cl:10].[O:1]=[C:2](-[C:3](-[N:5]-[c:6])=[O:11])-[N:7]	1	34966
+[O:1]=[C:2]=[N:3]-[C:4]>>[O:1]=[C:2](-[Cl:5])-[Cl:6].[N:3]-[C:4]	1	34967
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+[C:1]-[N:2]=[C:3]=[S:4]>>[C:3](=[S:4])(-[Cl:5])-[Cl:6].[C:1]-[N:2]	1	34983
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+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[Cl:4]-[C:6](-[Cl:5])-[Cl:7].[C:1](=[O:2])(-[c:3])-[O:8]	1	35006
+[C:1](=[O:2])(-[c:3]:1:[c:4](-[N:5]):[o:6]:[n:7]:[c:8]:1-[c:9])-[O:10]>>[O:6]-[N:7]=[C:8](-[c:9])-[Cl:11].[C:1](=[O:2])(-[C:3]-[C:4]#[N:5])-[O:10]	1	35024
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+[c:1]-[C:2]-[O:3]-[C:4](=[C:5]-[N:6])-[C:8](-[N:7])=[O:9]>>[O:3]-[C:4](=[C:5]-[N:6])-[C:8](-[N:7])=[O:9].[c:1]-[C:2]-[Cl:10]	1	35032
+[s:1]:[c:2](-[c:3]:1:[n:4]:[c:5](-[C:6]):[c:7]:[o:8]:1):[c:9]>>[C:5](-[C:6])(-[C:7]-[Cl:11])=[O:10].[s:1]:[c:2](-[C:3](-[N:4])=[O:8]):[c:9]	1	35037
+[c:1]:1:[n:2]:[n:3]:2:[c:4]:[c:5](-[C:6]):[n:7]:[c:8]:2:[n:9]:[c:10]:1>>[C:4](-[C:5](-[C:6])=[O:11])-[Cl:12].[c:1]:1:[n:2]:[n:3]:[c:8](-[N:7]):[n:9]:[c:10]:1	1	35039
+[O:1]=[C:2]-1-[N:3]-[C:4]=[C:5]-[c:6]:2:[n:7]:[c:8](-[C:9]):[c:10]:[n:11]-1:2>>[C:8](-[C:9])(-[C:10]-[Cl:13])=[O:12].[O:1]=[C:2]-1-[N:3]-[C:4]=[C:5]-[C:6](-[N:7])=[N:11]-1	1	35043
+[O:1]=[C:2](-[C:3]-[S:4]-[C:5](=[N:6]-[c:7])-[N:10]-[C:8]=[O:9])-[N:11]>>[O:1]=[C:2](-[C:3]-[Cl:12])-[N:11].[S:4]=[C:5](-[N:6]-[c:7])-[N:10]-[C:8]=[O:9]	1	35050
+[O:1]-[C:2](=[O:3])-[C:4]-1(-[c:5])-[C:6]-[C:7]=[C:8]-[C:9]-1>>[C:6](-[C:7]=[C:8]-[C:9]-[Cl:10])-[Cl:11].[O:1]-[C:2](=[O:3])-[C:4]-[c:5]	1	35051
+[c:1](:[c:2]-[N:3]-[C:4]-[C:5](=[O:6])-[c:7]):[n:8]>>[c:1](:[c:2]-[N:3]):[n:8].[C:4](-[Cl:10])-[Cl:11].[C:5](=[O:6])(-[c:7])-[Cl:9]	1	35058
+[c:1]:1-[N:2]-[C:3](=[O:4])-[N:5](-[N:6])-[C:7](=[O:8])-[c:9]:1>>[C:3](-[Cl:11])-[Cl:12].[c:1](-[N:2]):[c:9]-[C:7](=[O:4])-[O:8]-[C:10].[N:5]-[N:6]	1	35059
+[C:1](-[n:2](:[c:3]:[c:4]):[n:5])-[Cl:6]>>[Cl:6]-[C:8]-[Cl:7].[C:1](-[n:2](:[c:3]:[c:4]):[n:5])-[O:9]	1	35065
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+[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5](:[c:6]:[n:7]:1)-[I:9]>>[I:9]-[Cl:10].[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5]:[c:6]:[n:7]:1	1	35167
+[c:1]:[c:2](:[c:3](:[c:4]:[n:5]):[s:6])-[I:7]>>[I:7]-[Cl:8].[c:1]:[c:2]:[c:3](:[c:4]:[n:5]):[s:6]	1	35171
+[O:1]=[S:2](=[O:3])(-[C:4])-[Cl:5]>>[Cl:5]-[P:7](-[Cl:6])(-[Cl:8])(-[Cl:9])-[Cl:10].[O:1]=[S:2](=[O:3])(-[C:4])-[O:11]	1	35174
+[c:1](:[n:2]:[c:3](-[C:4]#[N:5]):[c:6])(:[c:7])-[Cl:8]>>[c:1](:[n:2]:[c:3](-[C:4](-[N:5])=[O:13]):[c:6])(:[c:7])-[O:14].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	1	35185
+[c:1]:1:[c:2](:[c:3]):[n+:4]:[c:5](-[Cl:6]):[c:7](:[c:8]:1:[n:9]):[n:10]>>[Cl:6]-[P:12](=[O:11])(-[Cl:13])-[Cl:14].[c:1]:1:[c:2](:[c:3]):[n+:4]:[c:5]:[c:7](:[c:8]:1:[n:9]):[n:10]	1	35190
+[c:1]:1:[c:2]:2:[n:3]:[c:4](:[c:5]:[c:6](-[C:7](-[F:8])(-[F:9])-[F:10]):[n:11]:2:[n:12]:[c:13]:1)-[Cl:14]>>[Cl:14]-[P:15](-[Cl:16])(-[Cl:17])=[O:19].[c:1]:1:[c:2]:2-[N:3]-[C:4](-[C:5]=[C:6](-[C:7](-[F:8])(-[F:9])-[F:10])-[n:11]:2:[n:12]:[c:13]:1)=[O:18]	1	35196
+[C:1]-[c:2]:1:[c:3](:[n:4]:2:[c:5](:[n:6]:[c:7](:[c:8]:2:[c:9]):[c:10]):[c:11](-[C:12]#[N:13]):[c:14]:1-[C:15])-[Cl:16]>>[Cl:16]-[P:18](=[O:17])(-[Cl:19])-[Cl:20].[C:1]-[C:2]=1-[C:3](-[N:4]-2-[C:5](-[N:6]-[c:7](:[c:8]-2:[c:9]):[c:10])=[C:11](-[C:12]#[N:13])-[C:14]=1-[C:15])=[O:21]	1	35230
+[O:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[Cl:6]):[c:7](:[c:8]):[c:10]:1:[c:9]>>[Cl:6]-[P:12](=[O:11])(-[Cl:13])-[Cl:14].[O:1]=[C:2]-1-[N:3]-[N:4]-[C:5](-[c:7](:[c:8]):[c:10]-1:[c:9])=[O:15]	1	35231
+[c:1]:1:[c:2]:[c:3](-[Cl:4]):[c:5]:[c:6](-[Cl:7]):[n:8]:1>>[Cl:4]-[P:10](-[Cl:7])(=[O:9])-[Cl:11].[c:1]:1:[c:2]:[c:3](:[c:5]:[c:6](:[n:8]:1)-[O:13])-[O:12]	1	35234
+[S:1]-[c:2]:1:[c:3](-[C:4]):[n:5]:2:[c:6](-[Cl:7]):[n:8]:[n:9]:[c:10]:2:[c:11]:[c:12]:1>>[Cl:7]-[P:14](=[O:13])(-[Cl:15])-[Cl:16].[S:1]-[C:2]-1=[C:3](-[C:4])-[N:5]-2-[C:6](-[N:8]-[N:9]=[C:10]-2-[C:11]=[C:12]-1)=[O:17]	1	35243
+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5](:[c:6]:1):[n:7])-[Cl:10]>>[Cl:8]-[P:12](-[Cl:10])(=[O:11])-[Cl:13].[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5](:[c:6]:1):[n:7])-[O:9]	1	35245
+[c:1]:1:[c:2](-[Cl:3]):[c:4]:[c:5]:[n:6]:[c:7]:1:[s:8]>>[Cl:3]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[c:1]:1:[c:2](:[c:4]:[c:5]:[n:6]:[c:7]:1:[s:8])-[O:13]	1	35275
+[c:1]:1:[n+:2]:[c:3]:[c:4]:[c:5](-[Cl:6]):[c:7]:1>>[Cl:6]-[P:14](-[Cl:8])(-[Cl:9])=[O:13].[c:1]:1:[n+:2]:[c:3]:[c:4]:[c:5](:[c:7]:1)-[N+:11](=[O:10])-[O-:12]	1	35276
+[c:1]:1(:[c:2](:[s:3]):[c:4]:[n:5]:[c:6]:[c:7]:1)-[Cl:8]>>[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[c:1]:1(:[c:2](:[s:3]):[c:4]:[n:5]:[c:6]:[c:7]:1)-[O:13]	1	35280
+[c:1]:1(:[n:2]:[c:3](:[c:4](:[c:5]:2:[n:6]:[c:7]:[n:8]:[n:9]:1:2):[c:10]):[c:11])-[Cl:12]>>[Cl:12]-[P:14](=[O:13])(-[Cl:15])-[Cl:16].[C:1]-1(-[N:2]-[c:3](:[c:4](-[c:5]:2:[n:6]:[c:7]:[n:8]:[n:9]-1:2):[c:10]):[c:11])=[O:17]	1	35325
+[C:1](-[C:2](=[O:3])-[O:4])-[c:5]:1:[c:6](:[n:7]:2:[n:8]:[c:9](:[c:10]):[c:11]:[c:12]:2:[n:13]:[c:14]:1-[C:15])-[Cl:16]>>[Cl:16]-[P:18](=[O:17])(-[Cl:19])-[Cl:20].[C:1](-[C:2](=[O:3])-[O:4])-[C:5]-1-[C:6](-[n:7]:2:[n:8]:[c:9](:[c:10]):[c:11]:[c:12]:2-[N:13]=[C:14]-1-[C:15])=[O:21]	1	35360
+[c:1]:1:[n:2]:[n:3]:[c:4]:2:[c:5](-[Cl:6]):[n:7]:[c:8](:[c:9]):[c:11](:[c:10]):[n:12]:1:2>>[Cl:6]-[P:14](=[O:13])(-[Cl:15])-[Cl:16].[c:1]:1:[n:2]:[n:3]:[c:4]:2-[C:5](-[N:7]-[c:8](:[c:9]):[c:11](:[c:10])-[n:12]:1:2)=[O:17]	1	35362
+[C:1]-[C:2]-[Cl:3]>>[Cl:3]-[P:5](=[O:4])(-[Cl:6])-[Cl:7].[C:1]-[C:2]-[O:8]	1	35374
+[c:1]:1(:[n+:2]:[c:3]:[c:4]:[c:5]:2:[n:6]:[n:7]:[c:8]:[c:9]:1:2)-[Cl:10]>>[Cl:10]-[P:12](=[O:11])(-[Cl:13])-[Cl:14].[c:1]:1:[n+:2]:[c:3]:[c:4]:[c:5]:2:[n:6]:[n:7]:[c:8]:[c:9]:1:2	1	35375
+[C:1]-[c:2]:1:[c:3](:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:[c:9]:1-[c:10])-[Cl:11]>>[Cl:11]-[P:13](=[O:12])(-[Cl:14])-[Cl:15].[C:3](-[c:4](:[c:5]):[c:7](:[c:6])-[N:8])(=[O:17])-[O:18].[C:1]-[C:2]-[C:9](-[c:10])=[O:16]	1	35376
+[c:1]:1(:[c:2]:[c:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[n:8]:[n:9]:1:2)-[Cl:10]>>[Cl:10]-[P:12](=[O:11])(-[Cl:13])-[Cl:14].[C:1]-1(-[C:2]=[C:3]-[N:4]-[c:5]:2:[c:6]:[c:7]:[n:8]:[n:9]-1:2)=[O:15]	1	35388
+[C:1](-[c:2](:[c:3]:[o:4]):[n+:5])-[Cl:6]>>[Cl:6]-[P:8](=[O:7])(-[Cl:9])-[Cl:10].[C:1]-[c:2](:[c:3]:[o:4]):[n+:5]	1	35432
+[N:1]-1-[C:2](=[O:3])-[c:4]:[c:6](:[n:5])-[N:7]=[C:8]-1-[Cl:9]>>[Cl:9]-[P:11](=[O:10])(-[Cl:12])-[Cl:13].[N:1]-1-[C:2](=[O:3])-[c:4]:[c:6](:[n:5])-[N:7]-[C:8]-1=[O:14]	1	35442
+[C:1]=1-[C:2](=[N:3]-[N:4]-[C:5](-[C:6]=1)=[O:7])-[Cl:8]>>[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[C:1]=1-[C:2](-[N:3]-[N:4]-[C:5](-[C:6]=1)=[O:7])=[O:13]	1	35451
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2:[c:9](:[c:10]:1)-[Cl:11]>>[Cl:11]-[P:13](=[O:12])(-[Cl:14])-[Cl:15].[c:1]-[C:2]=1-[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:10]=1)=[O:16]	1	35452
+[c:1]:1(:[n:2]:[c:3](:[c:4]:[c:6]:[c:8]:1:[n:7]):[c:5])-[Cl:9]>>[Cl:9]-[P:11](=[O:10])(-[Cl:12])-[Cl:13].[c:1]:1(:[n:2]:[c:3](:[c:4]:[c:6]:[c:8]:1:[n:7]):[c:5])-[O:14]	1	35462
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[c:6]:[c:8](:[n:7])-[N:9]-[C:10]-1=[O:11])-[Cl:12]>>[Cl:12]-[P:14](=[O:13])(-[Cl:15])-[Cl:16].[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[c:6]:[c:8](:[n:7])-[N:9]-[C:10]-1=[O:11])-[O:17]	1	35470
+[c:1]:1(:[c:2](:[n:3]):[c:5](:[n:4]):[n:6]:[c:7]:[n:8]:1)-[Cl:9]>>[Cl:9]-[P:11](=[O:10])(-[Cl:12])-[Cl:13].[c:1]:1(:[c:2](:[n:3]):[c:5](:[n:4]):[n:6]:[c:7]:[n:8]:1)-[O:14]	1	35489
+[S:1](=[O:2])(=[O:3])(-[C:4])-[Cl:5]>>[Cl:5]-[P:7](=[O:6])(-[Cl:8])-[Cl:9].[S:1](=[O:2])(=[O:3])(-[C:4])-[O:10]	1	35492
+[c:1]:[c:2](-[C:3]-[Cl:4]):[n:5]>>[Cl:4]-[P:7](=[O:6])(-[Cl:8])-[Cl:9].[c:1]:[c:2](-[C:3]-[O:10]):[n:5]	1	35504
+[C:1]-1(=[N:2]-[C:3]=[C:4]-[C:5](=[O:6])-[N:7]-1)-[Cl:8]>>[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[C:1]-1(-[N:2]-[C:3]=[C:4]-[C:5](=[O:6])-[N:7]-1)=[S:13]	1	35512
+[c:1]:1(:[n:2]:[c:3](-[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2):[c:9]:[c:10]:3:[n:11]:[c:12]:[c:13]:[n:14]:1:3)-[Cl:15]>>[Cl:15]-[P:17](=[O:16])(-[Cl:18])-[Cl:19].[C:1]-1(-[N:2]-[C:3](-[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2)=[C:9]-[c:10]:3:[n:11]:[c:12]:[c:13]:[n:14]-1:3)=[O:20]	1	35515
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2:[c:9](-[Cl:10]):[c:11]:1>>[Cl:10]-[P:13](=[O:12])(-[Cl:14])-[Cl:15].[C:1]-[C:2]=1-[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:11]=1)=[O:16]	1	35516
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[P:5](=[O:4])(-[Cl:6])-[Cl:7].[C:1](-[c:2])-[O:8]	1	35521
+[c:1](:[n:2]:[c:3])(:[n:5]:[c:4])-[Cl:6]>>[Cl:6]-[P:8](=[O:7])(-[Cl:9])-[Cl:10].[c:1](:[n:2]:[c:3])(:[n:5]:[c:4])-[O:11]	1	35525
+[c:1]:1(:[n:2]:[c:3]:[c:4]:[n:5]:[n:6]:1)-[Cl:7]>>[Cl:7]-[P:9](=[O:8])(-[Cl:10])-[Cl:11].[c:1]:1(:[n:2]:[c:3]:[c:4]:[n:5]:[n:6]:1)-[O:12]	1	35536
+[N:1]-[C:5](=[C:3](-[C:2])-[O:4])-[C:6]-[Cl:7]>>[Cl:7]-[S:9](=[O:8])-[Cl:10].[N:1]-[C:5](=[C:3](-[C:2])-[O:4])-[C:6]-[O:11]	1	35551
+[N:1]-[C:2](-[N:3])=[N:4]-[c:5].[c:6]-[C:7]-[Cl:8]>>[Cl:8]-[S:10](=[O:9])-[Cl:11].[N:1]=[C:2](-[N:3])-[N:4]-[c:5].[c:6]-[C:7]-[O:12]	1	35556
+[c:1]:[c:8]:1:[c:3](:[c:2]):[c:4](:[n:5](-[c:6]):[n:7]:1)-[Cl:9]>>[Cl:9]-[S:11](=[O:10])-[Cl:12].[c:1]:[c:8](:[c:3](:[c:2])-[C:4](-[N:5]-[c:6])=[O:15])-[N:7]=[N+:14]=[N-:13]	1	35565
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[Cl:6]):[s:7]>>[Cl:6]-[S:9](=[O:8])-[Cl:10].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:11]):[s:7]	1	35568
+[c:1]:1:[n:2]:[c:3]:2:[n:4]:[s:5]:[n:6]:[c:7]:2:[c:8]:[c:9]:1>>[S:5](=[O:10])(-[Cl:11])-[Cl:12].[c:1]:1:[n:2]:[c:3](-[N:4]):[c:7](-[N:6]):[c:8]:[c:9]:1	1	35596
+[c:1]:[c:2]:1:[n:3]:[s:4]:[n:5]:[c:6]:1:[c:7]>>[S:4](=[O:8])(-[Cl:9])-[Cl:10].[c:1]:[c:2](-[N:3]):[c:6](-[N:5]):[c:7]	1	35597
+[C:1](-[c:2](:[c:3]:[n:4]):[s:5])-[Cl:6]>>[Cl:6]-[S:8](=[O:7])-[Cl:9].[C:1](-[c:2](:[c:3]:[n:4]):[s:5])-[O:10]	1	35619
+[S:1](=[O:2])(=[O:3])(-[c:4]:1:[c:5]:[c:6]:[c:7](-[C:8]):[c:9]:[c:10]:1)-[Cl:11]>>[Cl:11]-[S:13](=[O:12])-[Cl:14].[S:1](=[O:2])(=[O:3])(-[c:4]:1:[c:5]:[c:6]:[c:7](-[C:8]):[c:9]:[c:10]:1)-[O:15]	1	35631
+[O:1]=[S:2](=[O:3])(-[c:4](:[c:5]):[c:6])-[Cl:7]>>[S:2](=[O:3])(-[Cl:7])-[Cl:8].[O:1]=[N:11]-[O:10].[c:4](:[c:5])(:[c:6])-[N:9]	1	35636
+[c:1]-[C:2](-[Cl:3])(-[C:4](=[O:5])-[N:6])-[c:7]>>[Cl:3]-[S:9](=[O:8])-[Cl:10].[c:1]-[C:2](-[C:4](=[O:5])-[N:6])(-[c:7])-[O:11]	1	35704
+[n:1]:[c:7]:[c:3](:[n:2])-[C:4](=[O:5])-[Cl:6]>>[Cl:6]-[S:9](=[O:8])-[Cl:10].[n:1]:[c:7]:[c:3](:[n:2])-[C:4](=[O:5])-[O:11]	1	35729
+[C:1](-[c:2](:[c:3]:[s:4]):[n:5])-[Cl:6]>>[Cl:6]-[S:8](=[O:7])-[Cl:9].[C:1](-[c:2](:[c:3]:[s:4]):[n:5])-[O:10]	1	35733
+[C:1]-[C:2]=[C:3](-[C:4]-[Cl:6])-[C:5]>>[Cl:6]-[S:8](=[O:7])-[Cl:9].[C:1]-[C:2]=[C:3](-[C:4]-[O:10])-[C:5]	1	35734
+[S:1](=[O:2])(=[O:3])(-[c:4]:1:[c:5]:[c:6]:[c:7](-[c:8]):[c:9]:[c:10]:1)-[Cl:11]>>[Cl:11]-[S:13](=[O:12])-[Cl:14].[S:1](=[O:2])(=[O:3])(-[c:4]:1:[c:5]:[c:6]:[c:7](-[c:8]):[c:9]:[c:10]:1)-[O:15]	1	35744
+[C:1]=[C:2](-[C:3])-[C:4]-[Cl:5]>>[Cl:5]-[S:7](=[O:6])-[Cl:8].[C:1]=[C:2](-[C:3])-[C:4]-[O:9]	1	35767
+[C:1](-[C:2]=[C:3])-[Cl:4]>>[Cl:4]-[S:6](=[O:5])-[Cl:7].[C:1](-[C:2]=[C:3])-[O:8]	1	35768
+[N:1]-[C:2]=[C:3](-[C:4]-[Cl:7])-[C:5]=[C:6]>>[Cl:7]-[S:9](=[O:8])-[Cl:10].[N:1]-[C:2]=[C:3](-[C:4]-[O:11])-[C:5]=[C:6]	1	35776
+[N:1]-[C:3](=[C:2])-[C:4]-[Cl:5]>>[Cl:5]-[S:7](=[O:6])-[Cl:8].[N:1]-[C:3](=[C:2])-[C:4]-[O:9]	1	35830
+[C:1]-[C:2]=[C:3](-[C:4](=[O:5])-[Cl:7])-[O:6]>>[Cl:7]-[S:8](-[Cl:9])=[O:11].[C:1]-[C:2]=[C:3](-[C:4](=[O:5])-[O:10])-[O:6]	1	35838
+[c:1]:1:[c:2]:[n:3]:[c:4](:[s:5]:1)-[Cl:6]>>[Cl:6]-[Cu:8]-[Cl:7].[c:1]:1:[c:2]:[n:3]:[c:4](:[s:5]:1)-[N:9]	1	35854
+[S:1](-[C:2]-[c:3])-[c:4]:1:[n:5]:[c:6]:2:[c:7](:[c:8]:[c:9]:[n:10]:[c:11]:2):[n:12]:1>>[C:2](-[c:3])-[Cl:13].[S:1]=[C:4]-1-[N:5]-[c:6]:2:[c:7](:[c:8]:[c:9]:[n:10]:[c:11]:2)-[N:12]-1	1	35878
+[c:1]-[C:2]-[N:3]-1-[C:4]=[C:5](-[N+:6])-[C:7]=[C:8](-[Cl:9])-[C:10]-1=[O:11]>>[n:3]:1:[c:4]:[c:5](-[N+:6]):[c:7]:[c:8](-[Cl:9]):[c:10]:1-[O:11].[c:1]-[C:2]-[Br:12]	1	35893
+[C:1]-[C:2](-[O:3]-[c:4])-[c:5]>>[O:3]-[c:4].[C:1]-[C:2](-[c:5])-[Br:6]	1	35909
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5]-1):[c:6]:[n:7]>>[c:1]:[c:2](:[c:6]:[n:7])-[I:8].[C:3]-1(-[C:4]-[C:5]-1)-[B:10](-[O:9])-[O:11]	1	35921
+[N:1]-[N:2]-[C:3](=[S:4])-[N:5]-[C:6]>>[N:1]-[N:2].[C:3](=[S:4])=[N:5]-[C:6]	1	35937
+[N:1]#[C:2]-[C:3]-[c:4]:1:[c:5]:[o:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:4]-1(-[C:5]-[O:6]-[c:7](:[c:8]-1:[c:9]):[c:10])=[O:17].[N:1]#[C:2]-[C:3]-[P:12](-[O:11]-[C:19]-[C:18])(=[O:13])-[O:14]-[C:15]-[C:16]	1	35940
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](-[O:6]-[c:7]):[c:8]:[c:9]:[n:10]:[c:11]:1:2>>[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](:[c:8]:[c:9]:[n:10]:[c:11]:1:2)-[Cl:12].[O:6]-[c:7]	1	35946
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[c:6])-[N+:7](-[C:8](=[C:9]=[N-:10])-[C:11](-[Cl:12])=[C:13]-1)=[O:15]>>[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[c:6]):[n+:7](:[c:8]:[c:11](-[Cl:12]):[c:13]:1)-[O-:15].[C:9](#[N:10])-[C:14]	1	35954
+[O:1]=[C:2]-1-[C:3]-[N:4](-[C:5](=[O:6])-[c:7](:[n:8]):[c:9])-[C:10]-[N:11]-1>>[O:1]=[C:2]-1-[C:3]-[N:4](-[C:10]-[N:11]-1)-[C:13](=[O:12])-[c:14]:2:[c:15]:[c:16](-[c:17]:3:[c:18]:[c:19](-[F:20]):[c:21]:[c:22](-[Cl:23]):[c:24]:3):[n:25](-[c:26]:4:[c:27]:[c:28]:[c:29]:[c:30]:[n:31]:4):[n:32]:2.[C:5](=[O:6])(-[c:7](:[n:8]):[c:9])-[O:33]	1	35955
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+[O-:1]-[n+:2](:[c:3]:[c:4]:[s:5]):[c:7]:[c:6]>>[O:1]-[O:10]-[C:9](=[O:8])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15](-[Cl:16]):[c:17]:1.[n:2](:[c:3]:[c:4]:[s:5]):[c:7]:[c:6]	1	36596
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+[C:1](=[O:2])-[C:3]-[S:4](=[O:5])(=[O:6])-[C:7]>>[O:5]-[O:10]-[C:9](=[O:8])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15](-[Cl:16]):[c:17]:1.[C:1](=[O:2])-[C:3]-[S:4](=[O:6])-[C:7]	1	36654
+[C:1](=[O:2])-[C:3]-[S:4](=[O:5])-[C:6]>>[O:5]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1.[C:1](=[O:2])-[C:3]-[S:4]-[C:6]	1	36658
+[c:1]-[S:2](=[O:3])-[c:4](:[n:5]):[n:6]>>[O:3]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1.[c:1]-[S:2]-[c:4](:[n:5]):[n:6]	1	36663
+[C:1]-[S:2](=[O:3])(=[O:4])-[C:5]>>[O:3]-[O:8]-[C:7](=[O:6])-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13](-[Cl:14]):[c:15]:1.[C:1]-[S:2](=[O:4])-[C:5]	1	36683
+[n:1]:[c:2]:[c:3]-[S:4](-[C:5])=[O:6]>>[O:6]-[O:13]-[C:12](=[O:11])-[c:14]:1:[c:10]:[c:8](:[c:7]:[c:16]:[c:15]:1)-[Cl:9].[n:1]:[c:2]:[c:3]-[S:4]-[C:5]	1	36709
+[n:1]:[c:2]:[c:3]:[n+:4](-[O-:5]):[c:6]:[c:7]>>[O:5]-[O:10]-[C:9](=[O:8])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15](-[Cl:16]):[c:17]:1.[n:1]:[c:2]:[c:3]:[n:4]:[c:6]:[c:7]	1	36711
+[C:1]-[C:2]-1=[C:3]-[C:4]=[C:5](-[C:6])-[N+:7](-[C:8]-1=[C:9]=[N-:10])=[O:11]>>[O:11]-[O:17]-[C:16](=[O:15])-[c:18]:1:[c:14]:[c:12](-[Cl:13]):[c:21]:[c:20]:[c:19]:1.[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]):[n:7]:[c:8]:1-[C:9]#[N:10]	1	36715
+[n:1]:[c:2]:[c:3]-[C:4](-[O:5])-[c:6]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[c:6]	1	36723
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[o:7]:1>>[C:4](-[c:5])(-[C:6]-[Br:9])=[O:8].[c:1]-[C:2](-[N:3])=[O:7]	1	36724
+[C:1]-1-[S:2]-[C:3](=[N:4]-[C:5])-[N:6]-[C:7]-1=[O:8]>>[N:4]-[C:5].[C:1]-1-[S:2]-[C:3](-[N:6]-[C:7]-1=[O:8])=[S:9]	1	36733
+[N:1](=[C:2](-[C:3](=[O:4])-[O:5])-[C:6](-[C:7])=[O:8])-[O:9]>>[C:2](-[C:3](=[O:4])-[O:5])-[C:6](-[C:7])=[O:8].[N:1](-[O:9])=[O:10]	1	36743
+[N:1]-1-[C:2]-[C:3]-[N:4]-2-[C:5](-[C:6])=[N:7]-[C:8](=[O:9])-[C:10](-[O:11])=[C:12]-2-[C:13]-1=[O:14]>>[N:1](-[C:2]-[C:3]-[O:15])-[C:13](-[c:12]:1:[n:4]:[c:5](-[C:6]):[n:7]:[c:8](-[O:9]):[c:10]:1-[O:11])=[O:14]	1	36775
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]-[c:7]):[o:8]:1>>[C:5](=[N:6]-[c:7])=[S:9].[c:1]-[C:2](-[N:3]-[N:4])=[O:8]	1	36796
+[c:1]:[c:2](-[C:3](-[c:4]:[c:5]:[s:6])-[O:8]):[c:7]>>[c:1]:[c:2](:[c:7])-[Mg:10]-[Br:9].[C:3](-[c:4]:[c:5]:[s:6])=[O:8]	1	36801
+[n:1]:[c:4](:[c:3]:[n:2])-[C:5](-[O:6])(-[c:7]:[c:9]:[n:8])-[c:10](:[c:11]):[c:12]>>[c:10](:[c:11])(:[c:12])-[Br:13].[n:1]:[c:4](:[c:3]:[n:2])-[C:5](=[O:6])-[c:7]:[c:9]:[n:8]	1	36805
+[O:1]=[C:2]-1-[c:3]:2:[c:4](-[C:5]=[C:6]-[N:7]-1-[c:8](:[c:9]):[c:10]):[o:11]:[c:12]:[c:13]:2>>[O:1]-[c:2]:1:[c:3]:2:[c:4](:[c:5]:[c:6]:[n:7]:1):[o:11]:[c:12]:[c:13]:2.[c:8](:[c:9])(:[c:10])-[F:14]	1	36808
+[c:1]-[C:2]=[C:3]-[C:4]>>[c:1]-[C:2]=[O:22].[C:3](-[C:4])-[P+:7](-[c:6]:1:[c:5]:[c:24]:[c:23]:[c:21]:[c:20]:1)(-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3	1	36809
+[c:1]:[c:2](-[N:3]-[c:4](:[n:5]):[s:6]):[c:7]>>[N:3]-[c:4](:[n:5]):[s:6].[c:1]:[c:2](:[c:7])-[F:8]	1	36812
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[n:7]:1-[C:8]>>[C:1]-[C:2](-[N:7]-[C:8])=[O:9].[N:3]-[N:4]-[C:5](-[c:6])=[O:10]	1	36815
+[C:1]-[O:2]-[c:3]:1:[n:4]:[n:5]:[c:6]:[n:7]:1>>[C:1]-[O:2].[c:3]:1(:[n:4]:[n:5]:[c:6]:[n:7]:1)-[S:9](-[C:8])(=[O:10])=[O:11]	1	36819
+[c:1]:[c:2](-[N:3]):[c:6](-[C:4](-[c:5])=[O:8]):[c:7]>>[c:1]:[c:2]:1:[n:3]:[o:8]:[c:4](-[c:5]):[c:6]:1:[c:7]	1	36824
+[c:1]-[C:2]-1=[C:3](-[O:4])-[C:5](=[O:6])-[N:7](-[c:8](:[c:9]):[c:10])-[N:11]=[C:12]-1>>[c:8](:[c:9])(:[c:10])-[Br:13].[c:1]-[c:2]:1:[c:3](-[O:4]):[c:5](-[O:6]):[n:7]:[n:11]:[c:12]:1	1	36826
+[O:1]=[C:2]-[c:3]:1:[c:4](-[c:5]):[o:6]:[n:7]:[c:8]:1-[c:9]>>[O:1]=[C:2]-[C:3]#[C:4]-[c:5].[O:6]-[N:7]=[C:8](-[c:9])-[Cl:10]	1	36828
+[c:1]:[c:2](-[N:3]-[C:4]=[O:5]):[c:6]>>[N:3]-[C:4]=[O:5].[c:1]:[c:2](:[c:6])-[Br:7]	1	36830
+[n:1]:1:[n:2]:[c:3](-[c:4]):[c:5]:2:[c:6](:[c:7]:[c:8]:[c:9]:[n:10]:2):[c:11]:1-[O:12]>>[C:3](-[c:4])(-[c:5]:1:[c:6](:[c:7]:[c:8]:[c:9]:[n:10]:1)-[C:11](=[O:12])-[O:14]-[C:13])=[O:15].[N:1]-[N:2]	1	36831
+[C:1]-1-[C:2]-[O:3]-1>>[C:1](-[C:2]-[O:4])-[O:3]	1	36835
+[c:1]-[C:2]-[c:3]:[c:4]:[s:5]>>[c:1]-[C:2](-[c:3]:[c:4]:[s:5])-[O:6]	1	36838
+[C:1](-[C:2]-[c:3](:[n:4]):[c:5])(-[c:6])-[O:7]>>[C:1](-[c:6])=[O:7].[C:2]-[c:3](:[n:4]):[c:5]	1	36847
+[c:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[c:8]):[o:9]:1>>[c:1]-[C:2]-[Cl:10].[S:3]=[C:4]-1-[N:5]-[N:6]=[C:7](-[c:8])-[O:9]-1	1	36853
+[N:1]-[C:2]-[C:3]-[C:4]=[C:5]>>[N:1]#[C:2]-[C:3]-[C:4]=[C:5]	1	36854
+[N:1]#[C:2]-[C:3]-[C:4]=[C:5]>>[N:1]-[C:2](-[C:3]-[C:4]=[C:5])=[O:6]	1	36855
+[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[c:6]):[c:7]>>[S:3](=[O:4])(-[O:5])-[c:6].[c:1]:[c:2](:[c:7])-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15]	1	36863
+[N:1](=[C:2]-[c:3](:[c:4]):[s:5])-[O:6]>>[C:2](-[c:3](:[c:4]):[s:5])=[O:7].[N:1]-[O:6]	1	36882
+[C:1](-[C:2])(-[c:3](:[n:4]):[c:5])=[O:6]>>[C:1](-[c:3](:[n:4]):[c:5])#[N:9].[C:2]-[Mg:8]-[Br:7].[O:6]	1	36905
+[c:1]:[c:2]:[n+:3](:[c:4]:[c:5])-[O-:6]>>[c:1]:[c:2]:[n:3]:[c:4]:[c:5].[O:6]-[O:10]-[C:8](-[C:7])=[O:9]	1	36915
+[c:1]:[c:2](-[O:3]-[c:4]:[c:6]:[n:5]):[c:7]:[n:8]>>[c:1]:[c:2](:[c:7]:[n:8])-[Cl:9].[O:3]-[c:4]:[c:6]:[n:5]	1	36918
+[c:1]:[c:2](-[O:3]-[c:4]):[c:5]:[n:6]>>[c:1]:[c:2](:[c:5]:[n:6])-[Cl:7].[O:3]-[c:4]	1	36919
+[O:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[c:6]:[c:7]:[n:8]:1>>[O:1]=[C:2]-1-[C:3]-[C:4](-[O:5])=[C:6]-[C:7]=[N+:8]-1-[O-:9]	1	36926
+[c:1]:[c:2](-[c:3]:1:[c:4](-[c:5]):[n:6](:[c:7]:[c:8]):[c:10](:[c:9]):[n:11]:1):[n:12]>>[n:6](:[c:7]:[c:8]):[c:10](:[c:9])-[N:11].[c:1]:[c:2](-[C:3](-[C:4]-[c:5])=[O:13]):[n:12]	1	36932
+[c:1](-[C:2](=[O:3])-[N:4]-[c:5]):[c:6]:[n:7]>>[N:4]-[c:5].[c:1](-[C:2](=[O:3])-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:17]:[c:16]:1):[c:6]:[n:7]	1	36950
+[O:1]=[C:2](-[N:3]-[c:4])-[c:5]>>[N:3]-[c:4].[O:1]=[C:2](-[c:5])-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[N+:7](=[O:6])-[O-:8]):[c:15]:[c:14]:1	1	36951
+[C:1]-1(=[C:2](-[C:3]=[N:4]-[N:5](-[C:6]-[c:7])-[C:8]-1=[O:9])-[Cl:10])-[Cl:11]>>[c:1]:1(:[c:2](:[c:3]:[n:4]:[n:5]:[c:8]:1-[O:9])-[Cl:10])-[Cl:11].[C:6](-[c:7])-[Br:12]	1	36959
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:1>>[c:1]:1:[n:2]:[c:3](:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:1)-[Cl:10]	1	36962
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[C:6]):[n:7]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:7]:1)-[Cl:10].[C:6]-[Mg:9]-[Br:8]	1	36984
+[C:1]-[N:2](-[c:3](:[n:4]):[c:5])-[c:6]:1:[n:7]:[c:8]:[n:9]:[c:10]:[c:11]:1>>[C:1]-[N:2]-[c:3](:[n:4]):[c:5].[c:6]:1(:[n:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Cl:12]	1	36994
+[C:1]-[C:2](-[S:3]-[c:4](:[n:5]):[n:6])-[c:7](:[c:8]):[n:9]>>[S:3]-[c:4](:[n:5]):[n:6].[C:1]-[C:2](-[c:7](:[c:8]):[n:9])-[Cl:10]	1	36995
+[c:1]:1:[n:2]:[c:3](-[n:4]:2:[c:5](:[c:6]):[c:7]:[c:8]:[c:9]:2:[c:10]):[n:11]:[c:12]:[c:13]:1>>[c:1]:1:[n:2]:[c:3](:[n:11]:[c:12]:[c:13]:1)-[Cl:14].[n:4]:1:[c:5](:[c:6]):[c:7]:[c:8]:[c:9]:1:[c:10]	1	37009
+[C:1]-1-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]:2:[c:7]-1:[c:8]:[n:9]:[c:10]:[n:11]:2>>[C:1](-[C:2](=[O:3])-[O:14]-[C:13]-[C:12])-[c:7]:1:[c:6](:[n:11]:[c:10]:[n:9]:[c:8]:1)-[Cl:15].[N:4]-[C:5]	1	37015
+[c:1]:[n:2]:[c:3](:[n:4]:[c:5])-[S:7]-[C:6]>>[c:1]:[n:2]:[c:3](:[n:4]:[c:5])-[Cl:8].[C:6]-[S:7]	1	37020
+[C:1]-[C:2](-[C:3])(-[O:4])-[c:5](:[n:6]):[c:7]>>[C:1]-[C:2](=[O:4])-[c:5](:[n:6]):[c:7].[C:3]-[Mg:9]-[Br:8]	1	37032
+[O:1]=[C:2]-1-[C:3](-[F:4])=[C:5]-[N:6]=[C:7](-[Cl:8])-[N:9]-1-[C:10]-[c:11]>>[O:1]-[c:2]:1:[c:3](-[F:4]):[c:5]:[n:6]:[c:7](-[Cl:8]):[n:9]:1.[C:10](-[c:11])-[Br:12]	1	37033
+[n:1]:[c:2]:[c:5](:[c:4]:[s:3])-[C:6](=[O:7])-[N:8]-[c:9](:[n:10]):[c:11]>>[n:1]:[c:2]:[c:5](:[c:4]:[s:3])-[C:6](=[O:7])-[O:12].[N:8]-[c:9](:[n:10]):[c:11]	1	37039
+[O:1]=[C:2](-[c:3])-[C:4]-[c:5]>>[C:4]-[c:5].[O:1]=[C:2](-[c:3])-[N:9](-[C:6])-[O:8]-[C:7]	1	37057
+[n:1](:[c:2]:[c:3]):[c:5](:[c:4])-[C:6]-[c:7]>>[n:1](:[c:2]:[c:3]):[c:5](:[c:4])-[Cl:8].[C:6](-[c:7])-[Zn+:9]	1	37067
+[n:1]:[c:2]:1:[c:3](-[N:4]-[C:5](-[C:6])=[O:7]):[n:8]:[c:9]:[c:10]:[c:11]:1>>[n:1]:[c:2]:1:[c:3](:[n:8]:[c:9]:[c:10]:[c:11]:1)-[Cl:12].[N:4]-[C:5](-[C:6])=[O:7]	1	37076
+[C:1](-[C:2](-[c:3])-[c:4](:[n:5]:[c:6]:[c:7]):[c:8])#[N:9]>>[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:10].[C:1](-[C:2]-[c:3])#[N:9]	1	37077
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]=[C:7]>>[C:1]-[N:2]-[C:3].[C:4](-[O:5])(-[C:6]=[C:7])=[O:8]	1	37090
+[n:1]:1:[c:2]:[c:3](-[S:4](=[O:5])(=[O:6])-[Cl:9]):[c:7]:[n:8]:1>>[n:1]:1:[c:2]:[c:3]:[c:7]:[n:8]:1.[S:4](=[O:5])(=[O:6])(-[Cl:9])-[O:10]	1	37093
+[c:1]:1:[n:2]:[c:3]:[c:4](-[F:5]):[n:6]:[c:7]:1>>[F:5].[c:1]:1:[n:2]:[c:3]:[c:4](:[n:6]:[c:7]:1)-[N:8]	1	37096
+[C:1]-[C:2](-[C:3])-[F:4]>>[F:4].[C:1]-[C:2](-[C:3])-[O:5]	1	37099
+[c:1]:[c:2](:[c:3])-[F:4]>>[F:4].[c:1]:[c:2](:[c:3])-[N:5]	1	37101
+[c:1]:[c:2](-[F:3]):[c:4]>>[F:3].[c:1]:[c:2](:[c:4])-[Cl:5]	1	37102
+[C:1]-[C:2]-[F:3]>>[F:3].[C:1]-[C:2]-[O:7]-[S:4](=[O:5])(=[O:6])-[c:14]:1:[c:8]:[c:9]:[c:11](-[C:10]):[c:12]:[c:13]:1	1	37107
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[F:6]):[c:7]:1>>[F:6].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:7]:1)-[N+:9](=[O:8])-[O-:10]	1	37108
+[C:1]-[C:2]-[F:3]>>[F:3].[C:1]-[C:2]-[O:4]	1	37109
+[O:1]=[S:2](=[O:3])(-[F:4])-[C:5]>>[F:4].[O:1]=[S:2](=[O:3])(-[C:5])-[Cl:6]	1	37111
+[O:1]-[C:2](=[O:3])-[C:4](-[F:5])(-[F:6])-[C:7](-[O:8])-[C:9]>>[O:1]-[C:2](=[O:3])-[C:4](-[F:5])(-[F:6])-[Br:10].[C:7](=[O:8])-[C:9]	1	37115
+[F:1]-[C:2](-[F:3])-[O:4]-[c:5](:[n:6]):[c:7]>>[F:1]-[C:2](-[F:3])(-[C:9](=[O:8])-[O:10])-[Cl:11].[O:4]-[c:5](:[n:6]):[c:7]	1	37118
+[n:1]:[c:2]:[c:3]-[O:4]-[C:5](-[F:6])-[F:7]>>[C:5](-[F:6])(-[F:7])(-[C:9](=[O:8])-[O:10])-[Cl:11].[n:1]:[c:2]:[c:3]-[O:4]	1	37126
+[C:1]-[O:2]-[C:3](-[F:4])-[F:5]>>[C:3](-[F:4])(-[F:5])(-[C:7](=[O:6])-[O:8])-[S:9](=[O:10])(=[O:11])-[F:12].[C:1]-[O:2]	1	37131
+[C:1]=[C:2](-[C:3])-[C:4]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]	1	37136
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]-[N:7]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]#[N:7]	1	37155
+[n:1]:[c:2]:[c:3](-[C:4](-[N:5]-[c:6])=[O:8]):[n:7]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:8])-[Cl:9]):[n:7].[N:5]-[c:6]	1	37158
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:4].[N:1]	1	37172
+[c:1]-[O:2]-[C:3](-[F:4])-[F:5]>>[C:3](-[F:4])(-[F:5])(-[C:8](-[O:7]-[C:6])=[O:9])-[Cl:10].[c:1]-[O:2]	1	37175
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](-[C:6](-[F:7])(-[F:8])-[F:9]):[c:10]:1-[C:11])-[O:12]>>[C:1](-[C:10](-[C:5](-[C:6](-[F:7])(-[F:8])-[F:9])=[O:16])-[C:11])(=[O:12])-[O:15]-[C:14]-[C:13].[N:2]-[C:3]=[N:4]	1	37189
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+[O:1]=[C:2](-[N:3]-[c:4])-[N:5]>>[O:1]=[C:2](-[N:3](-[c:4])-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8](-[O:7]-[C:6]):[c:14]:[c:13]:1)-[N:5]	1	37704
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+[N:1]#[C:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:7](-[C:8](-[F:9])(-[F:10])-[F:11]):[c:12]:1)-[Cl:14]>>[N-:1]=[C:2]=[C:3]-1-[N+:4](-[C:5](=[C:6]-[C:7](-[C:8](-[F:9])(-[F:10])-[F:11])=[C:12]-1)-[Cl:14])=[O:13]	1	37717
+[c:1]:1:[c:2](-[C:3]):[o:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:1](-[C:2]-[O:4]-[c:5](:[c:6]:[c:7]):[c:8])#[C:3]	1	37723
+[C:1]-[n:2]:1:[n:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[F:8]):[c:9](-[C:10]):[c:11]:1-[O:12]-[C:13](-[F:14])-[F:15]>>[C:13](-[F:14])(-[F:15])-[Cl:16].[C:1]-[N:2]-1-[N:3]=[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])-[C:9](-[C:10])-[C:11]-1=[O:12]	1	37733
+[N:1](-[C:2]-1=[N:3]-[C:4]-[C:5]-[C:6]-[S:7]-1)-[C:9]=[O:8]>>[N:1](-[C:2](-[N:3]-[C:4]-[C:5]-[C:6]-[O:10])=[S:7])-[C:9]=[O:8]	1	37736
+[N:1]=[C:2](-[N:3]-[C:4])-[S:5]>>[N:1](-[C:2](=[N:3]-[C:4])-[S:5])-[C:7](=[O:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	37739
+[C:1](=[O:2])-[N:3]-[c:4](:[n:5]:[c:6](-[C:7]-[N:11]-[C:9](-[O:8])=[N:10]):[c:12]):[c:13]>>[c:4](:[n:5]:[c:6](-[C:7]-[N:11]=[C:9](-[O:8])-[N:10]):[c:12])(:[c:13])-[Br:14].[C:1](=[O:2])-[N:3]	1	37740
+[C:1]-[N:5]=[C:3](-[O:2])-[N:4]>>[C:1]-[N:5]-[C:3](-[O:2])=[N:4]-[C:7](=[O:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	37742
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]-[c:6]>>[c:1]-[N:2]=[C:3]=[O:4].[O:5]-[c:6]	1	37779
+[c:1]:[c:2](-[O:3]-[c:4]:1:[n:5]:[n:6](-[C:7]):[c:8](-[C:9](-[F:10])(-[F:11])-[F:12]):[c:13]:1):[c:14]>>[O:3]=[C:4]-1-[N:5]-[N:6](-[C:7])-[C:8](-[C:9](-[F:10])(-[F:11])-[F:12])=[C:13]-1.[c:1]:[c:2](:[c:14])-[F:15]	1	37788
+[N:1]-1-[C:2](=[O:3])-[N:4](-[c:5])-[C:6](=[O:7])-[C:8]=[C:9]-1-[C:10]>>[N:1]-1=[C:2](-[O:3]-[C:6](=[O:7])-[C:8]=[C:9]-1-[C:10])-[N:13](-[C:11])-[C:12].[N:4]-[c:5]	1	37789
+[n:1]:[c:4]-1:[c:3](:[n:2])-[C:10](-[N:8](-[C:6](=[N:5]-1)-[C:7])-[c:9])=[O:11]>>[C:6](-[C:7])(=[O:12])-[O:13].[n:1]:[c:4](:[c:3](:[n:2])-[C:10](-[N:8]-[c:9])=[O:11])-[N:5]	1	37797
+[c:1]:[c:9]:1:[n:4](:[c:3]:[c:2]):[c:5](-[C:6]):[c:7]:[n:8]:1>>[C:5](-[C:6])(-[C:7]=[O:10])-[Br:11].[c:1]:[c:9](:[n:4]:[c:3]:[c:2])-[N:8]	1	37807
+[N:1]#[C:2]-[C:3](-[C:4]#[N:5])(-[C:6])-[C:7]-[n:8](:[c:9]:[c:10]):[n:11]>>[C:7](-[n:8](:[c:9]:[c:10]):[n:11])-[Cl:12].[N:1]#[C:2]-[C:3](-[C:4]#[N:5])-[C:6]	1	37814
+[O:1]=[C:2](-[C:3]-[N:4]-1-[C:5]-[C:6](-[O:7])=[C:8]-[C:9]-1=[O:10])-[O:11]>>[O:1]=[C:2](-[C:3]-[N:4]-[C:5]-[C:6](-[O:7])=[C:8]-[C:9](=[O:10])-[O:14]-[C:13]-[C:12])-[O:11]	1	37821
+[C:1]-[C:2]-[c:3](:[c:4]:[n:5]):[c:6]>>[C:1]-[C:2]-[I:7].[c:3](:[c:4]:[n:5]):[c:6]	1	37826
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1>>[C:3](=[O:4])(-[C:5])-[Cl:11].[C:1]-[N:2]-[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1	1	37853
+[c:1]:1:[n:2]:[n:3](-[C:4]-[C:5](-[F:6])(-[F:7])-[F:8]):[c:9]:[c:10]:1>>[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])-[I:11].[c:1]:1:[n:2]:[n:3]:[c:9]:[c:10]:1	1	37858
+[C:1](-[c:2])(-[c:3])(-[N:7](-[C:5](-[N:4])=[O:6])-[C:8])-[O:9]>>[N:7]-[C:8].[C:1](-[c:2])(-[c:3])=[O:9].[N:4]-[C:5](=[O:6])-[n:13]:1:[c:12]:[c:11]:[n:10]:[c:14]:1	1	37864
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6]-[N:7])-[C:8]=[O:9]>>[C:3](-[O:4])(-[C:5](=[C:6]-[N:7])-[C:8]=[O:9])=[O:10].[c:1]-[N:2]	1	37871
+[N:1](-[c:2])-[C:4]=[O:3]>>[N+:1](-[c:2])(=[O:5])-[O-:6].[O:3]=[C:4]-[O:7]	1	37877
+[c:1]:[c:2](-[N:3]-[C:4](-[N:5]-[C:6])=[S:8]):[n:7]>>[C:4](=[N:5]-[C:6])=[S:8].[c:1]:[c:2](-[N:3]):[n:7]	1	37881
+[C:1]-[N:2](-[O:3])-[C:4]=[O:5]>>[C:4](=[O:5])-[O:11]-[C:10]-[C:7](-[F:6])(-[F:8])-[F:9].[C:1]-[N:2]-[O:3]	1	37911
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-[N:6](-[C:7])-[C:8]>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-[O:12]-[S:10](=[O:9])(=[O:11])-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16].[N:6](-[C:7])-[C:8]	1	37916
+[c:1]-[O:2]-[C:3]-[C:4](-[F:5])(-[F:6])-[F:7]>>[C:3](-[C:4](-[F:5])(-[F:6])-[F:7])-[O:16]-[S:13](-[c:12]:1:[c:11]:[c:10]:[c:9](-[C:8]):[c:18]:[c:17]:1)(=[O:14])=[O:15].[c:1]-[O:2]	1	37917
+[c:1]:[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6](:[c:7]:1:[c:8])-[O:9]>>[c:1]:[c:2](-[N:3]):[c:7](-[C:6](=[O:9])-[O:12]-[C:11]-[C:10]):[c:8].[C:4](-[N:5])=[O:13]	1	37931
+[N:1]#[C:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])-[Cl:7].[N:1]#[C:2]	1	37962
+[C:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[n:6]:[c:8](:[c:7])-[N:9]-1-[C:10]-[c:11]:[c:13]:[n:12]>>[C:1]-[C:2]=1-[C:3]-[C:4](=[O:5])-[n:6]:[c:8](:[c:7])-[N:9]=1.[C:10](-[c:11]:[c:13]:[n:12])-[Cl:14]	1	37972
+[C:1]-[C:2]-[S:3]-[C:4]#[N:5]>>[C:1]-[C:2]-[Cl:6].[S:3]-[C:4]#[N:5]	1	37974
+[C:1](-[C:2]-1-[C:3]-[C:4](-[c:5])-[C:6]-[N:7]-[C:8]-1)(=[O:9])-[O:10]>>[C:1](-[c:2]:1:[c:3]:[c:4](-[c:5]):[c:6]:[n:7]:[c:8]:1)(=[O:9])-[O:10]	1	37975
+[O:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:5](-[C:6])(=[O:8])-[O:9].[O:1]-[C:2](=[N:3]-[O:4])-[N:7]	1	37978
+[s:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[n:7]:1-[C:8]):[n:9]>>[s:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[n:16]:[n:15]:1-[C:14]-[C:11](-[F:10])(-[F:12])-[F:13]):[n:9].[N:6]-[N:7]-[C:8]	1	37987
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[C:8]-[C:7]-[C:6]#[N:9]	1	38013
+[N:1]-[C:2](=[O:3])-[N:4]-[C:5]=[O:6]>>[N:1]-[C:2](=[O:3])-[N:4](-[C:5]=[O:6])-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:15]:[c:14]:1	1	38039
+[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[c:7]:2:[c:8]-1:[n:9]:[c:10](-[C:11]):[n:12]:2>>[C:10](-[C:11])(=[O:13])-[O:14].[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[C:7](=[C:8]-1-[N:9])-[N:12]	1	38040
+[n:1]:[c:3](:[c:2])-[C:4]-[C:5]#[N:6]>>[n:1]:[c:3](:[c:2])-[C:4]-[Cl:8].[C:5](#[N:6])-[C:7]	1	38050
+[N:1](-[O:2]-[C:3](-[C:4])-[C:5])(-[C:8]=[O:7])-[C:9]=[O:10]>>[C:3](-[C:4])(-[C:5])-[O:6].[N:1](-[O:2])(-[C:8]=[O:7])-[C:9]=[O:10]	1	38089
+[O:1]=[C:2](-[N:3]-[O:4])-[N:5]-[c:6]>>[N:3]-[O:4].[O:1]=[C:2]=[N:5]-[c:6]	1	38090
+[O:1]=[C:2]-1-[N:3](-[C:4]-[C:5])-[N:6]=[C:7]-[N:8]-1>>[O:1]=[C:2]-1-[N:3]-[N:6]=[C:7]-[N:8]-1.[C:4](-[C:5])-[O:9]	1	38092
+[N:1]#[C:2]-[C:3](-[C:4]#[N:5])-[C:6]-[c:7]>>[N:1]#[C:2]-[C:3](-[C:4]#[N:5])=[C:6]-[c:7]	1	38093
+[n:1]:[c:2](-[C:3]-[O:4]):[c:5]:[o:6]>>[n:1]:[c:2](-[C:3]-[Cl:10]):[c:5]:[o:6].[O:4]-[C:8](-[C:7])=[O:9]	1	38094
+[N:1]-1-[C:2](=[O:3])-[C:4](-[N:5]-[c:6])=[C:7]-[S:8]-1>>[N:5]-[c:6].[N:1]-1-[C:2](=[O:3])-[C:4](=[C:7]-[S:8]-1)-[Cl:9]	1	38116
+[c:1]:[c:2](:[n+:3](:[c:4]:[c:5])-[O-:7]):[c:6]>>[c:1]:[c:2](:[n:3]:[c:4]:[c:5]):[c:6].[O:7]-[O:8]	1	38154
+[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:11]):[c:6]:[c:7](-[c:8]):[n:9]:1-[C:10]>>[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:11])-[C:6]-[C:7](-[c:8])=[O:13])=[O:12].[N:9]-[C:10]	1	38173
+[c:1](:[c:2]-[O:5]-[S:13](=[O:4])(-[C:6](-[F:7])(-[F:8])-[F:9])=[O:12]):[o:3]>>[O:4]=[S:13](-[C:6](-[F:7])(-[F:8])-[F:9])(=[O:12])-[N:17](-[S:15](=[O:14])(=[O:16])-[C:24](-[F:10])(-[F:11])-[F:25])-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1.[c:1](:[c:2]-[O:5]):[o:3]	1	38184
+[c:1]-[O:5]-[S:3](=[O:2])(=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]>>[O:2]=[S:3](=[O:4])(-[C:6](-[F:7])(-[F:8])-[F:9])-[N:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:1.[c:1]-[O:5]	1	38201
+[O:1]=[C:2]-1-[C:3](-[Br:4])=[C:5](-[C:6]#[C:7])-[C:8]=[C:9]-[N:10]-1>>[O:1]=[C:2]-1-[C:3](-[Br:4])=[C:5](-[C:8]=[C:9]-[N:10]-1)-[O:14]-[S:12](=[O:11])(=[O:13])-[C:15](-[F:16])(-[F:17])-[F:18].[C:6]#[C:7]	1	38202
+[N:1]-[C:7](=[C:3](-[c:2])-[c:4](:[c:5]):[c:6])-[C:8](=[O:9])-[O:10]>>[N:1]-[C:7](=[C:3](-[c:2])-[O:14]-[S:12](=[O:11])(=[O:13])-[C:15](-[F:16])(-[F:17])-[F:18])-[C:8](=[O:9])-[O:10].[c:4](:[c:5])(:[c:6])-[B:20](-[O:19])-[O:21]	1	38203
+[C:1]#[C:2]-[C:3]-1=[N:4]-[N:5]-[C:6]-[C:7]=[C:8]-1>>[C:3]-1(=[N:4]-[N:5]-[C:6]-[C:7]=[C:8]-1)-[O:12]-[S:10](=[O:9])(=[O:11])-[C:13](-[F:14])(-[F:15])-[F:16].[C:1]#[C:2]	1	38207
+[N:1]-1-[C:2](=[O:3])-[C:4](-[N+:5])=[C:6](-[C:7]-[c:8])-[C:9]=[C:10]-1-[C:11]>>[N:1]-1-[C:2](=[O:3])-[C:4](-[N+:5])=[C:6](-[C:9]=[C:10]-1-[C:11])-[O:16]-[S:14](=[O:13])(=[O:15])-[C:17](-[F:18])(-[F:19])-[F:20].[C:7](-[c:8])-[Br:12]	1	38208
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5](-[N:6]-[C:7])-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]=[C:5](-[c:8])-[O:14]-[S:12](=[O:11])(=[O:13])-[C:15](-[F:9])(-[F:10])-[F:16].[N:6]-[C:7]	1	38210
+[c:1]-[C:6](=[C:5]-[C:3](-[O:2])=[O:4])-[c:7](:[c:8]):[c:9]>>[c:1]-[C:6](=[C:5]-[C:3](-[O:2])=[O:4])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17].[c:7](:[c:8])(:[c:9])-[B:19](-[O:18])-[O:20]	1	38211
+[c:1]:1:[c:2]:[n:3](-[C:4]-[C:5](-[F:6])(-[F:7])-[F:8]):[n:9]:[c:10]:1>>[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])-[O:14]-[S:12](=[O:11])(=[O:13])-[C:15](-[F:16])(-[F:17])-[F:18].[c:1]:1:[c:2]:[n:3]:[n:9]:[c:10]:1	1	38214
+[c:1]-[O:2]-[C:3]-[C:4](-[F:5])(-[F:6])-[F:7]>>[C:3](-[C:4](-[F:5])(-[F:6])-[F:7])-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15].[c:1]-[O:2]	1	38216
+[C:1]-[C:2](-[Br:3])=[C:4](-[C:5]=[C:6])-[O:10]-[S:8](=[O:7])(=[O:9])-[C:11](-[F:12])(-[F:13])-[F:14]>>[O:7]=[S:8](=[O:9])(-[C:11](-[F:12])(-[F:13])-[F:14])-[O:18]-[S:16](=[O:15])(=[O:17])-[C:19](-[F:20])(-[F:21])-[F:22].[C:1]-[C:2](-[Br:3])=[C:4](-[C:5]=[C:6])-[O:10]	1	38226
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:2:[c:6]:1:[c:7](:[n:8]:[n:9]:2-[c:10])-[O:14]-[S:12](=[O:11])(=[O:13])-[C:15](-[F:16])(-[F:17])-[F:18]>>[O:11]=[S:12](=[O:13])(-[C:15](-[F:16])(-[F:17])-[F:18])-[O:22]-[S:20](=[O:19])(=[O:21])-[C:23](-[F:24])(-[F:25])-[F:26].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]-2:[c:6]:1-[C:7](-[N:8]-[N:9]-2-[c:10])=[O:14]	1	38227
+[C:1]-[C:2]=[C:3]-[O:9]-[S:7](=[O:6])(=[O:8])-[C:10](-[F:4])(-[F:5])-[F:11]>>[F:4]-[C:10](-[F:5])(-[S:7](=[O:6])(=[O:8])-[O:15]-[S:13](=[O:12])(=[O:14])-[C:16](-[F:17])(-[F:18])-[F:19])-[F:11].[C:1]-[C:2]=[C:3]-[O:9]	1	38238
+[c:1]:[c:2](-[N:3]-[c:4]):[c:5]>>[N:3]-[c:4].[c:1]:[c:2](:[c:5])-[O:9]-[S:7](=[O:6])(=[O:8])-[C:10](-[F:11])(-[F:12])-[F:13]	1	38267
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]>>[n:1]:[c:2]:[c:3](:[c:7])-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15].[c:4](:[c:5])(:[c:6])-[B:17](-[O:16])-[O:18]	1	38273
+[c:1]:[c:2](:[c:3])-[N:12]=[C:13]>>[c:1]:[c:2](:[c:3])-[O:7]-[S:5](=[O:4])(=[O:6])-[C:8](-[F:9])(-[F:10])-[F:11].[N:12]=[C:13]	1	38276
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[O:8]-[S:6](=[O:5])(=[O:7])-[C:9](-[F:10])(-[F:11])-[F:12].[N:1]=[C:17](-[c:16]:1:[c:15]:[c:14]:[c:13]:[c:25]:[c:24]:1)-[c:18]:2:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:2	1	38277
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15].[C:3](=[O:4])(-[O:5])-[C:7]	1	38298
+[c:1]:[c:2](-[C:3]#[C:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[O:9]-[S:7](=[O:6])(=[O:8])-[C:10](-[F:11])(-[F:12])-[F:13].[C:3]#[C:4]	1	38301
+[c:1]:[c:2](-[N:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[O:18]-[S:16](=[O:15])(=[O:17])-[C:19](-[F:20])(-[F:21])-[F:22].[N:3]=[C:6](-[c:5]:1:[c:13]:[c:14]:[c:23]:[c:24]:[c:25]:1)-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2	1	38315
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[n:7]:[c:8]:[c:9]):[c:10]):[c:11]:1>>[c:6](:[n:7]:[c:8]:[c:9])(:[c:10])-[O:18]-[S:16](=[O:15])(=[O:17])-[C:19](-[F:20])(-[F:21])-[F:22].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:11]:1)-[B:13](-[O:12])-[O:14]	1	38316
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[c:6]):[n:7]:[n:8]:1>>[N:5]-[c:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[n:8]:1)-[S:10](-[C:9])=[O:11]	1	38352
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]:[c:8]:[n:7]):[o:9]:1>>[c:1]-[C:2](-[N:3]-[N:4]-[C:5](-[c:6]:[c:8]:[n:7])=[O:9])=[O:10]	1	38393
+[n:1]:[c:2]:[c:3](-[C:4]-[O:7]):[c:5]:[n:6]>>[n:1]:[c:2]:[c:3](-[C:4](-[O:7])=[O:8]):[c:5]:[n:6]	1	38397
+[c:1](-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[o:8]):[c:9]:[n:10]>>[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[o:8])-[O:11].[c:1](-[N:2]):[c:9]:[n:10]	1	38407
+[c:1]-[N:2]=[C:4](-[c:3])-[c:5]>>[c:1]-[N:2].[c:3]-[C:4](-[c:5])=[O:6]	1	38416
+[C:1]-[N:2]-1-[C:3]-2=[N:4]-[C:5](-[O:6])=[N:7]-[C:8](=[O:9])-[C:10]-2=[N:11]-[c:12]:[c:13]-1>>[C:1]-[N:2]-[c:13]:[c:12]-[N:11].[C:3]-1(-[N:4]-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[C:10]-1=[O:15])=[O:14]	1	38417
+[n:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[c:7]:1:[c:6]>>[N+:1](-[c:7](:[c:4](-[C:3]-[C:2]#[N:8]):[c:5]):[c:6])(=[O:9])-[O-:10]	1	38485
+[c:1]:1:[n:2]:[n:3](-[C:4](=[O:5])-[c:6]):[c:7](:[c:8]):[c:9]:1>>[C:4](=[O:5])(-[c:6])-[Cl:10].[c:1]:1:[n:2]:[n:3]:[c:7](:[c:8]):[c:9]:1	1	38505
+[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5](:[c:6]):[c:8](:[c:7]):[n:9]:1>>[O:1]=[C:2](-[C:3]=[C:4]-[c:5](:[c:6]):[c:8](:[c:7])-[N:9])-[O:12]-[C:11]-[C:10]	1	38528
+[O:1]-[C:2](=[O:3])-[C:4]>>[C:2](-[O:3])-[C:4].[O:1]-[I+3:8](-[O-:5])(-[O-:6])-[O-:7]	1	38549
+[c:1]-[N:2]-1-[C:3](=[S:4])-[N:5](-[c:6])-[C:7](=[N:8])-[C:9]-1>>[C:3](=[S:4])=[N:5]-[c:6].[c:1]-[N:2]-[C:9]-[C:7]#[N:8]	1	38555
+[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1-[C:7]-[c:8](:[n:9]):[o:10]>>[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1.[C:7](-[c:8](:[n:9]):[o:10])-[Cl:11]	1	38588
+[c:1]:1:[c:2]:[c:3]:[c:4]:[c:5](-[N:6]):[c:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]:[c:7]:1)-[N:6]	1	38594
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2):[n:11]:1>>[O:4]-[C:5](-[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1)=[O:12].[c:1]-[C:2](=[N:3]-[O:13])-[N:11]	1	38627
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5]:[c:6]:1)-[I:7]>>[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5]:[c:6]:1)-[Cl:8].[I:7]	1	38634
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]:[n:7]):[c:8]>>[c:5](:[c:6]:[n:7])(:[c:8])-[Br:9].[C:1]-[C:2](=[O:3])-[N:4]	1	38636
+[c:1](:[c:2](-[c:3]:1:[n:4]:[c:5]:2:[n:6]:[c:7]:[c:8]:[c:9]:[c:10]:2:[c:11]:[c:12]:1):[n:13]):[s:14]>>[c:1](:[c:2](-[C:3](-[C:12])=[O:15]):[n:13]):[s:14].[N:4]-[c:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:[c:10]:1-[C:11]=[O:16]	1	38639
+[O:1]=[C:2](-[C:3])-[N:5]-[C:4]>>[O:1]=[C:2](-[C:3])-[N:5](-[C:4])-[C:10]-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:1	1	38641
+[n:1]:[c:2]:[c:3](-[C:4](-[N:5])=[S:6]):[s:7]>>[n:1]:[c:2]:[c:3](-[C:4]#[N:5]):[s:7].[S:6]	1	38642
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]>>[C:1]-[N:2]-[C:3].[N:6]-[c:7](:[n:8]):[c:9].[C:4](=[O:5])(-[n:12]:1:[c:11]:[c:10]:[n:19]:[c:18]:1)-[n:13]:2:[c:14]:[c:15]:[n:16]:[c:17]:2	1	38654
+[n:1]:[c:2]:[c:3](-[c:4]:1:[c:5]:[c:6]:[c:7]:[o:8]:1):[c:9]>>[n:1]:[c:2]:[c:3](:[c:9])-[Br:10].[c:4]:1(:[c:5]:[c:6]:[c:7]:[o:8]:1)-[B:12](-[O:11])-[O:13]	1	38667
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[O:2]-[C:8]-[O:7]-[C:6].[c:3](:[c:4])(:[c:5])-[F:9]	1	38675
+[O:1]=[C:2](-[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[O:11]>>[N:5]-[c:6](:[c:7]):[n:10]:[c:9]:[c:8].[O:1]=[C:2](-[C:3](=[C:4]-[O:12])-[Cl:13])-[O:11]	1	38702
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[c:7]):[c:8]:[n:9]>>[N:6]-[c:7].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:10]):[c:8]:[n:9]	1	38718
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[c:7]>>[N:6]-[c:7].[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2](=[O:8])-[O:9]	1	38746
+[O:1]=[C:2]-[C:3]=[C:4](-[c:5])-[O:6]-[c:7]>>[O:1]=[C:2]-[C:3]=[C:4]-[c:5].[O:6]-[c:7]	1	38752
+[c:1]-[C:2]-[N:3]-1-[C:4]-[C:5]-[O:6]-[C:7]-1=[O:8]>>[c:1]-[C:2]-[Br:9].[N:3]=1-[C:4](-[C:5]-[O:6]-[C:7]=1)=[O:8]	1	38758
+[n:1]:1:[n:2]:[c:3](-[O:4]-[c:5](:[c:6]):[c:7]):[c:8]:[c:9]:1-[C:10]>>[c:5](:[c:6])(:[c:7])-[F:11].[N:1]-1-[N:2]-[C:3](=[O:4])-[C:8]=[C:9]-1-[C:10]	1	38770
+[C:1](-[c:2](:[c:3]):[c:4])=[O:5]>>[c:2](:[c:3]):[c:4].[C:1](=[O:5])-[O:7]-[C:6]	1	38774
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1>>[n:1]:1(:[n:2]:[c:3]:[c:4]:[c:5]:1)-[S:9](-[N:7](-[C:6])-[C:8])(=[O:10])=[O:11]	1	38779
+[c:1]:1:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]:1>>[c:1]:1:[c:2]:[c:3](:[c:7]:[n:8]:1)-[I:9].[c:4](:[c:5])(:[c:6])-[B:11](-[O:10])-[O:12]	1	38783
+[n:1]:[c:2]:[c:3]:[c:4]:[c:5]>>[n:1]:[c:2]:[c:3]:[c:4](:[c:5])-[Cl:6]	1	38800
+[n:1]:[c:2]:[c:3]:[c:7](-[c:6](:[c:4]):[c:5]):[c:8]>>[n:1]:[c:2]:[c:3]:[c:7]:[c:8].[c:4]:[c:6]:[c:5]	1	38802
+[n:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[c:7]:1:[c:6]>>[N:1]-[c:7](:[c:4](-[C:3]#[C:2]):[c:5]):[c:6]	1	38803
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[C:7]-[C:6]=[C:8]	1	38808
+[N:1]=[C:2](-[C:3](=[C:4](-[C:5])-[N:6])-[C:8]=[C:7])-[N:9]-[O:10]>>[N:1]#[C:2]-[C:3](=[C:4](-[C:5])-[N:6])-[C:8]=[C:7].[N:9]-[O:10]	1	38813
+[O:1]-[C:2](=[C:3]-[N:4])-[C:5]=[O:6]>>[O:1](-[C:2](=[C:3]-[N:4])-[C:5]=[O:6])-[C:7]	1	38815
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:6]-[O:5]-[C:4]-[C:3]	1	38832
+[n:1]:[c:2]:[c:3]-[C:4]-[n:5]:1:[c:6]:[c:7](:[n:8]):[c:9]:[c:10]:[n:11]:1>>[n:1]:[c:2]:[c:3]-[C:4]-[Br:12].[n:5]:1:[c:6]:[c:7](:[n:8]):[c:9]:[c:10]:[n:11]:1	1	38864
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[n:6]:[c:7]:[c:8]:[c:9]:2):[c:10](-[O:11]):[n:12]:1>>[N:3]-[c:4]:1:[c:5](:[n:6]:[c:7]:[c:8]:[c:9]:1)-[C:10](=[O:11])-[N:12].[c:1]-[C:2]=[O:13]	1	38872
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:2):[n:11]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:11]:1)-[Br:15].[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[B:13](-[O:12])-[O:14]	1	38885
+[c:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1>>[c:1]-[C:2]-[O:8].[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1	1	38911
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[S:6]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Cl:7].[S:6]=[C:9](-[N:8])-[N:10]	1	38927
+[S:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:9].[S:1]-[N:2]	1	38931
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]#[N:10].[O:3]-[C:8](-[C:6](-[C:4](-[O:5])-[C:12](=[O:11])-[O:13])-[O:7])=[O:9]	1	38934
+[C:1]-[c:2]:1:[c:3](:[c:4]:[c:5]:[c:6](-[C:7]#[N:8]):[n:9]:1)-[C:10]>>[C:1]-[C:2]-1=[C:3](-[C:4]=[C:5]-[C:6](=[C:7]=[N-:8])-[N+:9]-1=[O:11])-[C:10]	1	38936
+[c:1]:[c:2](-[I:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:7].[I:3]-[C:6]-[I:5]	1	38939
+[O:1]=[C:2](-[C:3]-1-[C:4]-[C:5]-[N:6](-[c:7])-[C:8]-1=[O:9])-[O:10]>>[N:6]-[c:7].[O:1]=[C:2]-1-[C:3]-2(-[C:4]-[C:5]-2)-[C:8](=[O:9])-[O:14]-[C:12](-[O:10]-1)(-[C:11])-[C:13]	1	38988
+[N:1]#[C:2]-[C:3]-1=[C:4](-[C:5])-[N:6]-[C:7]-[C:8](-[C:9])=[C:10]-1>>[C:3]-1(=[C:4](-[C:5])-[N:6]-[C:7]-[C:8](-[C:9])=[C:10]-1)-[I:11].[N:1]#[C-:2]~[Cu+:12]	1	39002
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[C:7]>>[C:6](-[C:7])-[Cl:8].[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1	1	39003
+[C:1]-[C:5](-[C:4]-1=[C:3](-[C:2])-[N:12](-[C:10](-[N:9]-[C:7]-1-[c:8])=[O:11])-[c:13])=[O:6]>>[C:1]-[C:5](-[C:4]=[C:3](-[C:2])-[N:12]-[c:13])=[O:6].[C:7](-[c:8])(-[N:9]=[C:10]=[O:11])-[Cl:14]	1	39017
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[C:7]>>[C:1]-[N:2].[C:6](-[C:7])=[O:18].[C:3](-[N+:4]#[C-:5])-[S:13](-[c:12]:1:[c:11]:[c:10]:[c:9](-[C:8]):[c:17]:[c:16]:1)(=[O:14])=[O:15]	1	39035
+[N:1]-1-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]=[C:8](-[O:9])-[C:10]-1>>[c:4](:[c:5])(:[c:6])-[B:13](-[O:12])-[O:14].[N:1]-1-[C:2]=[C:3](-[C:7]=[C:8](-[O:9])-[C:10]-1)-[Br:11]	1	39042
+[O:1]-[C:2]-[c:3]:[c:4]:[s:5]>>[O:1]=[C:2](-[c:3]:[c:4]:[s:5])-[O:7]-[C:6]	1	39063
+[c:1]-[C:2]-[N:3]>>[c:1]-[C:2]=[O:4].[N:3]-[O:5]	1	39119
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+[c:1]:1-[O:2]-[C:3]-[C:4](-[C:5](=[O:6])-[N:7])-[c:8]:1:[n:9]>>[c:1](-[O:2]):[c:8](-[C:4](-[C:3]-[O:10])-[C:5](=[O:6])-[N:7]):[n:9]	1	39158
+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1>>[c:1]:1:[c:2](:[n:3]:[n:4]:[c:5]:1)-[I:6]	1	39172
+[O:1]-[C:2](-[c:3]:[c:5]:[n:4])-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1>>[O:1]=[C:2](-[c:3]:[c:5]:[n:4])-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1	1	39174
+[c:1]:[c:3](:[n:2])-[c:4]:1:[n:5]:[c:6]:2:[c:7](:[c:8]:[c:9]:[n:10]:[c:11]:2):[n:12]:1>>[c:1]:[c:3](:[n:2])-[C:4]=[O:13].[N:5]-[c:6]:1:[c:7](:[c:8]:[c:9]:[n:10]:[c:11]:1)-[N:12]	1	39179
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[Cl:8].[c:1]:[c:2](:[c:6])-[Br:7]	1	39217
+[O:1]-[C:2](=[O:3])-[C:4]-[c:5]>>[C:4]-[c:5].[O:1]-[C:2](=[O:3])-[O:7]-[C:6]	1	39261
+[N:1]-[C:10](-[C:2]-1-[C:3]-[C:4]-[C:5](-[c:6](:[n:7]):[n:8])=[N:9]-1)=[O:11]>>[N:1]-[C:10](-[C:2](-[C:3]-[C:4]#[C:5]-[c:6](:[n:7]):[n:8])-[N:9])=[O:11]	1	39296
+[c:1](:[c:2](-[C:3]-[N:4]-[c:5]):[s:6]):[n:7]>>[c:1](:[c:2](-[C:3]=[O:8]):[s:6]):[n:7].[N:4]-[c:5]	1	39310
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](=[O:6])-[N:7]-1>>[c:1]-[C:2](-[N:3]-[O:4])=[N:7].[C:5](-[O:6]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)(=[O:8])-[Cl:9]	1	39316
+[c:1]-[O:2]-[C:3](-[C:4])-[c:5](:[n:6]):[c:7]>>[C:3](-[C:4])(-[c:5](:[n:6]):[c:7])-[O:8].[c:1]-[O:2]	1	39333
+[c:1]-[C:2]-[N:3](-[C:4])-[c:5](:[n:6]):[s:7]>>[N:3](-[C:4])-[c:5](:[n:6]):[s:7].[c:1]-[C:2]-[Cl:8]	1	39334
+[C:1](-[C:2]=[O:3])=[O:4]>>[C:1](-[C:2])=[O:4].[O:3]	1	39393
+[C:1](-[C:2]-[c:3])(-[C:4]=[O:5])-[C:7](=[O:6])-[O:8]>>[C:1](-[C:4]=[O:5])-[C:7](=[O:6])-[O:8].[C:2](-[c:3])-[Br:9]	1	39408
+[c:1]-[C:2](-[C:3]#[N:4])=[C:5]-[c:6]>>[C:5](-[c:6])=[O:7].[c:1]-[C:2]-[C:3]#[N:4]	1	39440
+[O:1]-[C:2]-[C:3]>>[O:1]-[C:2](-[C:3])(-[C:4])-[C:5]	1	39447
+[c:1]:[c:2](:[c:3]:[n:8])-[C:6](=[N:5]-[C:4])-[C:7]>>[c:1]:[c:2]:[c:3]:[n:8].[C:4]-[N:5]-[C:6](-[C:7])=[O:9]	1	39455
+[C:1](-[C:2])=[O:3]>>[C:1]-1(-[C:2])-[O:3]-[C:7]-[C:4]-[C:5]-[O:6]-1	1	39457
+[c:1](:[c:2]:[n:7])-[C:5](-[N:4]-[C:3])-[C:6]>>[c:1](:[c:2]:[n:7])-[C:5](=[N:4]-[C:3])-[C:6]	1	39461
+[c:1]:1:[c:2](-[C:3](-[C:4])-[N:5]-[C:6]):[n:7]:[c:8]:[n:9]:1>>[C:3](-[C:4])=[O:10].[c:1]:1:[c:2]:[n:7]:[c:8]:[n:9]:1.[N:5]-[C:6]	1	39463
+[n:1]:1:[n:2]:[c:3]:[c:4](-[n:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:2):[c:10]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](:[c:10]:1)-[I:11].[n:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1	1	39471
+[O:1]=[C:2](-[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8](=[C:9]-[O:10])-[C:12](-[N:11])=[O:13]>>[C:6](=[O:7])(-[C:8](=[C:9]-[O:10])-[C:12](-[N:11])=[O:13])-[O:15]-[C:14].[O:1]=[C:2](-[O:3])-[C:4]-[N:5]	1	39480
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+[O:1]=[C:2]-1-[N:3]-[C:4]-[C:5]-[N:6]-1>>[O:1]=[C:2]-1-[N:3]-[C:4]-[C:5](-[N:6]-1)=[O:7]	1	39521
+[O:1]=[C:2]-1-[N:3]-[C:4]-[C:5](-[N:6]-1-[c:7])=[O:8]>>[O:1]=[C:2](-[N:3]-[C:4]-[C:5](=[O:8])-[O:10]-[C:9])-[N:6]-[c:7]	1	39525
+[n:1]:[c:2](-[C:3]-[C:4]-[c:5]):[n:6]>>[n:1]:[c:2](-[C:3]=[C:4]-[c:5]):[n:6]	1	39535
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+[C:1](-[C:2])(=[O:3])-[N:5](-[O:4]-[C:7])-[C:6]>>[C:1](-[C:2])(=[O:3])-[O:8].[O:4](-[C:6]-[N:5])-[C:7]	1	39544
+[C:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[C:6]-[N:7]-[C:8]-1=[O:9]>>[C:1]=[C:2]-1-[N:3](-[C:4](=[O:5])-[C:6]-[N:7]-[C:8]-1=[O:9])-[C:11](-[C:10])=[O:12]	1	39552
+[c:1]-[C:2]=[C:3]-1-[N:4](-[C:5](=[O:6])-[C:7]-[N:8]-[C:9]-1=[O:10])-[C:12](-[C:11])=[O:13]>>[c:1]-[C:2]=[O:14].[C:3]-1-[N:4](-[C:5](=[O:6])-[C:7]-[N:8]-[C:9]-1=[O:10])-[C:12](-[C:11])=[O:13]	1	39553
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+[N:1]-[c:2](:[n:3]):[n:4]>>[N:1](-[c:2](:[n:3]):[n:4])=[C:5]=[S:6]	1	39595
+[N:1]-1-[C:2](=[O:3])-[N:4](-[c:5])-[C:6](-[C:7])=[C:8]-1-[c:9](:[c:10]):[n:11]>>[n:1]:1:[c:2](-[O:3]-[C:13]-[C:12]):[n:4](-[c:5]):[c:6](-[C:7]):[c:8]:1-[c:9](:[c:10]):[n:11]	1	39602
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[n:6]:[c:7](:[c:8]):[c:9]>>[c:3](:[c:4])(:[c:5])-[B:12](-[O:11])-[O:13].[c:1]:[c:2](:[n:6]:[c:7](:[c:8]):[c:9])-[Br:10]	1	39615
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+[C:1]-1=[C:2]-[N:3]-[N:4]=[C:5](-[N:6])-[C:7]-1=[O:8]>>[C:1]-1=[C:2]-[N:3]-[N:4]=[C:5](-[C:7]-1=[O:8])-[C:10](=[O:9])-[O:11].[N:6](=[N+:13]=[N-:12])-[P:14](=[O:15])(-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2	1	39657
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+[C:1]-[C:2]-[N:3]-[c:4]>>[N:3]-[c:4].[C:1]-[C:2]-[O:5]	1	39680
+[N:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[n:8]:1)-[S:10]-[C:9].[N:1]-[N:2]	1	39682
+[C:1](-[C:2]-[c:3])(-[C:4]=[O:5])-[C:7](=[O:6])-[O:8]>>[C:2](-[c:3])-[Cl:9].[C:1](-[C:4]=[O:5])-[C:7](=[O:6])-[O:8]	1	39690
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+[C:1](=[C:2]-1-[N+:3](-[C:4]=[C:5]-[C:6](-[c:7](:[n:8]):[c:9])=[C:10]-1)=[O:13])=[N-:11]>>[c:2]:1:[n+:3](:[c:4]:[c:5]:[c:6](-[c:7](:[n:8]):[c:9]):[c:10]:1)-[O-:13].[C:1](#[N:11])-[C:12]	1	39697
+[C:1](-[C:2]-[Cl:4])=[O:3]>>[C:1](-[C:2])=[O:3].[Cl:4]-[S:6](=[O:5])(=[O:7])-[Cl:8]	1	39711
+[C:1]-[C:2](-[N:3]-[c:4]:[c:5]-[C:6](=[O:7])-[C:8]-[C:9](=[O:10])-[N:11])=[O:12]>>[C:1]-[C:2]-1=[N:3]-[c:4]:[c:5]-[C:6](=[O:7])-[O:12]-1.[C:8]-[C:9](=[O:10])-[N:11]	1	39714
+[N:1]-[C:2]>>[N:1](-[C:2])(-[C:4](-[C:3])(-[C:5])-[C:6])-[C:7](=[O:8])-[O:9]	1	39752
+[O:1]=[C:2]-1-[N:3]-[C:4](-[c:5])=[N:6]-[N:7]-1.[C:8]#[C:9]-[c:10](:[c:11]):[c:12]>>[c:10](:[c:11])(:[c:12])-[I:13].[O:1]=[C:2]-1-[N:3]=[C:4](-[c:5])-[N:6]-[N:7]-1.[C:8]#[C:9]	1	39762
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+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[S:8]>>[N:7]-[S:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[Cl:9]	1	39768
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8]):[c:11]>>[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8].[c:1]:[c:2](:[c:11])-[I:12]	1	39769
+[C:1]=[C:2]-[c:3]:[c:4]:[n:5]>>[C:2](-[c:3]:[c:4]:[n:5])=[O:18].[C:1]-[P+:23](-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)(-[c:22]:2:[c:16]:[c:17]:[c:19]:[c:20]:[c:21]:2)-[c:24]:3:[c:9]:[c:8]:[c:7]:[c:6]:[c:25]:3	1	39785
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[s:10]:1>>[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[S:10].[c:1]-[C:2]=[O:11]	1	39818
+[C:1]-[C:2](=[C:3])-[C:4](=[O:5])-[N:6]-[S:7]>>[C:1]-[C:2](=[C:3])-[C:4](=[O:5])-[O:8].[N:6]-[S:7]	1	39820
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+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7]-[N:8]-[c:9](:[n:10]:[c:11]:[c:12]):[c:13]>>[c:9](:[n:10]:[c:11]:[c:12])(:[c:13])-[Cl:14].[c:1]-[C:2](=[O:3])-[O:25].[N:4](-[C:5])-[C:6]-[C:7]-[N:8]-1-[C:16](=[O:15])-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2-[C:23]-1=[O:24]	1	39839
+[c:1]:1:[c:2]:2-[N:3]-[C:4](=[S:5])-[C:6]=[C:7](-[C:8](-[F:9])(-[F:10])-[F:11])-[n:12]:2:[n:13]:[c:14]:1>>[c:1]:1:[c:2]:2:[n:3]:[c:4](:[c:6]:[c:7](-[C:8](-[F:9])(-[F:10])-[F:11]):[n:12]:2:[n:13]:[c:14]:1)-[Cl:15].[S:5]	1	39866
+[N:1]-[C:2]-1=[N:3]-[n:4]:2:[c:5](:[n:6]:[n:7]:[c:8]:2)-[C:9]-[C:10]-1>>[N:1]-[c:2]:1:[n:3]:[n:4]:2:[c:5](:[n:6]:[n:7]:[c:8]:2):[c:9]:[c:10]:1	1	39868
+[n:1]:[c:2]:1:[c:3](-[c:4]:2:[n:5]:[c:6](-[c:7]):[n:8]:[o:9]:2):[c:10]:[n:11]:[n:12]:1>>[n:1]:[c:2]:1:[c:3](-[C:4](=[O:13])-[O:14]):[c:10]:[n:11]:[n:12]:1.[N:5]=[C:6](-[c:7])-[N:8]-[O:9]	1	39870
+[c:1]-[S:2](-[N:3])(=[O:4])=[O:5]>>[c:1]-[S:2](=[O:4])(=[O:5])-[C:6].[N:3]-[O:11]-[S:8](=[O:7])(=[O:9])-[O:10]	1	39880
+[N:1](-[C:2]-[C:3](-[O:4])-[c:5](:[c:6]:[s:7]):[n:8])-[C:9]>>[C:2](-[C:3](=[O:4])-[c:5](:[c:6]:[s:7]):[n:8])-[Br:10].[N:1]-[C:9]	1	39882
+[c:1](:[n:2]):[c:4](:[n:3])-[c:5]:1:[n:6]:[n:7]:[c:8](-[C:9]):[o:10]:1>>[c:1](:[n:2]):[c:4](:[n:3])-[C:5](-[N:6]-[N:7]-[C:8](-[C:9])=[O:11])=[O:10]	1	39891
+[C:1](=[C:2](-[c:3](:[c:4]):[c:5])-[C:6]=[N:7])-[C:9]=[C:8]>>[C:1](=[C:2](-[C:6]=[N:7])-[Cl:10])-[C:9]=[C:8].[c:3](:[c:4])(:[c:5])-[B:12](-[O:11])-[O:13]	1	39926
+[c:1]-[O:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4])(:[c:6]:[n:5])-[F:7].[c:1]-[O:2]	1	39927
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[c:7]):[c:8]:[n:9]:1>>[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[Cl:10]):[c:8]:[n:9]:1.[N:6]-[c:7]	1	39964
+[n:1]:1:[c:2]:[c:3](-[C:4](-[C:5])-[O:6]):[c:7]:[n:8]:1>>[n:1]:1:[c:2]:[c:3](-[C:4]=[O:6]):[c:7]:[n:8]:1.[C:5]-[Mg:10]-[Br:9]	1	39977
+[C:1]-[N:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[s:7]:1)-[C:8]>>[c:3]:1(:[n:4]:[n:5]:[c:6]:[s:7]:1)-[Cl:9].[C:1]-[N:2]-[C:8]	1	39985
+[n:1]:[c:2](-[N:3]-[c:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1):[s:10]>>[c:4]:1(:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:11].[n:1]:[c:2](-[N:3]):[s:10]	1	40025
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[c:6](:[c:7](:[c:8]):[o:10]:1):[c:9]):[n:11]>>[n:1]:[c:2]:[c:3](-[C:4](-[N:5]-[c:6](:[c:7](:[c:8])-[O:10]):[c:9])=[O:12]):[n:11]	1	40029
+[O:1]=[C:2](-[N:3]=[C:4]-1-[C:5]=[C:6]-[C:7]=[C:8]-[N:9]-1-[C:10]-[c:11]:[c:13]:[n:12])-[C:14]>>[O:1]=[C:2](-[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[C:14].[C:10](-[c:11]:[c:13]:[n:12])-[Br:15]	1	40034
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+[O:1]-[c:2]:1:[c:3](-[C:4]):[n:5]:[c:6]:[n:7]:[c:8]:1-[O:9]>>[O:1]-[C:2]-1=[C:3](-[C:4])-[N:5]=[C:6]-[N:7](-[C:8]-1=[O:9])-[C:16]-[c:15]:2:[c:14]:[c:13]:[c:12](-[O:11]-[C:10]):[c:18]:[c:17]:2	1	40041
+[n:1]:[c:2]:[c:3]-[O:4]-[C:5](-[F:6])-[F:7]>>[C:5](-[F:6])(-[F:7])-[Cl:8].[n:1]:[c:2]:[c:3]-[O:4]	1	40057
+[c:1]:[c:2](-[O:3]-[C:4](-[F:5])-[F:6]):[n:7]>>[C:4](-[F:5])(-[F:6])-[Cl:8].[c:1]:[c:2](-[O:3]):[n:7]	1	40058
+[N:1]-[C:2](=[O:3])-[C:4](=[C:5]-[O:6]-[C:7](-[F:8])-[F:9])-[c:10]>>[C:7](-[F:8])(-[F:9])-[Cl:11].[N:1]-[C:2](=[O:3])-[C:4](-[C:5]=[O:6])-[c:10]	1	40059
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+[n:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6](-[C:7]#[N:8]):[c:9]:1-[N:10]):[c:11]>>[n:1]:[c:2](-[N:3]-[N:4]):[c:11].[C:5](-[C:6](-[C:7]#[N:8])=[C:9]-[O:14]-[C:13]-[C:12])#[N:10]	1	40103
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+[c:1]:1:[c:2]:[c:3]:[c:4]:[n+:5](-[O-:6]):[n:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:[n:7]:1.[O:6]-[O:8]	1	40107
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+[c:1]:1:[c:2](-[c:3]:2:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:2):[n:9](:[n:10]):[c:12](:[c:11]):[n:13]:1>>[c:1]:1:[c:2](:[n:9](:[n:10]):[c:12](:[c:11]):[n:13]:1)-[I:14].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[B:16](-[O:15])-[O:17]	1	40125
+[O:1]=[C:2](-[C:3]=[C:4]-[c:5]:[c:7]:[n:6])-[C:8]>>[C:4](-[c:5]:[c:7]:[n:6])=[O:15].[O:1]=[C:2](-[C:3]-[P:11](-[O:10]-[C:9])(=[O:12])-[O:13]-[C:14])-[C:8]	1	40137
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+[n:1]:[c:4](:[c:3]:[n:2])-[C:5](-[N:6]-[c:7]:[c:8]:[n:9])-[c:10]>>[N:6]-[c:7]:[c:8]:[n:9].[n:1]:[c:4](:[c:3]:[n:2])-[C:5](-[c:10])-[O:11]	1	40157
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+[N:1]=[C:2](-[C:3](=[O:4])-[O:5])-[c:6]:1:[c:7]:[s:8]:[c:9](-[N:10]):[n:11]:1>>[S:8]=[C:9](-[N:10])-[N:11].[N:1]=[C:2](-[C:3](=[O:4])-[O:5])-[C:6](-[C:7]-[Br:13])=[O:12]	1	42048
+[N:1]=[C:2](-[C:3](=[O:4])-[O:12])-[c:5]:1:[c:6](-[C:7]):[s:8]:[c:9](-[N:10]):[n:11]:1>>[S:8]=[C:9](-[N:10])-[N:11].[N:1]=[C:2](-[C:3](=[O:4])-[O:12])-[C:5](-[C:6](-[C:7])-[Cl:14])=[O:13]	1	42052
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+[c:1](:[c:2]-[c:3]:1:[c:4]:[s:5]:[c:6](-[N:7]):[n:8]:1):[n:9]>>[S:5]=[C:6](-[N:7])-[N:8].[c:1](:[c:2]-[C:3](-[C:4]-[Cl:11])=[O:10]):[n:9]	1	42058
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6](-[C:7](=[N:8])-[C:10]=[C:9]):[s:11]:1>>[N:1]-[C:2](-[N:3])=[S:11].[C:4](-[c:5])(-[C:6](-[C:7](=[N:8])-[C:10]=[C:9])-[Br:13])=[O:12]	1	42067
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[N:1]-[C:2](-[N:3])=[S:7].[C:4](-[c:5])(-[C:6])=[O:8]	1	42072
+[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:10]):[n:6]:[c:7](-[N:8]):[s:9]:1>>[N:6]-[C:7](-[N:8])=[S:9].[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:10])=[O:11])-[Br:12]	1	42075
+[c:1]-[c:2]:1:[c:3](-[c:4]):[s:5]:[c:6](-[N:7]):[n:8]:1>>[S:5]=[C:6](-[N:7])-[N:8].[c:1]-[C:2](-[C:3]-[c:4])=[O:9]	1	42077
+[N:1]-[c:2]:1:[n:3]:[c:4](-[C:5](=[N:6])-[C:7](=[O:8])-[N:9]):[c:10]:[s:11]:1>>[N:1]-[C:2](-[N:3])=[S:11].[C:4](-[C:5](=[N:6])-[C:7](=[O:8])-[N:9])(-[C:10]-[Br:13])=[O:12]	1	42078
+[O:1]=[C:2]-1-[N:3]-[C:4](=[S:5])-[N:6]-[C:7]=[C:8]-1-[C:9]>>[N:3]-[C:4](=[S:5])-[N:6].[O:1]=[C:2](-[C:8](-[C:7]=[O:13])-[C:9])-[O:12]-[C:11]-[C:10]	1	42079
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+[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[N:6]-[N:7])-[N:8]=[C:9]-1>>[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[N:8]=[C:9]-1)-[Cl:10].[N:6]-[N:7]	1	42087
+[C:1]-[C:2](-[N:3]-[C:4])=[O:5]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[O:6]-[C:9](-[C:8]-[C:7])=[O:10]	1	42097
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:7]:[c:8]:[c:9]:[c:10]:1-[C:11]>>[C:1]-[C:2](=[O:3])-[C:4]=[C:5](-[C:6])-[N:7].[c:8]:1:[c:9]:[c:10](-[C:11]):[c:14]:[c:12]:[c:13]:1	1	42104
+[C:1]-[C:2]-1=[N:3]-[C:4]-[C:5]-[N:6]-1>>[C:4](-[C:5]-[N:6])-[N:7].[C:1]-[C:2]#[N:3]	1	42112
+[C:1]-[C:2]=1-[N:3]-[C:4]-[C:5]-[N:6]=1>>[C:4](-[C:5]-[N:6])-[N:7].[C:1]-[C:2]#[N:3]	1	42114
+[C:1]-[C:2]=1-[N:3]-[C:4]-[C:5]-[N:6]=1>>[N:3]-[C:4]-[C:5]-[N:6].[C:1]-[C:2](-[O:9]-[C:8]-[C:7])=[O:10]	1	42118
+[N:1]-1-[C:2]-[C:3]-[N:4]-[C:5]-[C:6]-1-[c:7](:[c:8]):[o:9]>>[N:1]-[C:2]-[C:3]-[N:4].[C:5](-[C:6](-[c:7](:[c:8]):[o:9])=[O:10])=[O:11]	1	42119
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+[c:1]-[C:2]-1-2-[C:3]-[n:4]:[c:6](:[c:5])-[C:7](=[O:8])-[N:9]-1-[C:10]-[C:11]-[N:12]-2>>[N:9]-[C:10]-[C:11]-[N:12].[c:1]-[C:2](-[C:3]-[n:4]:[c:6](:[c:5])-[C:7](=[O:8])-[O:14]-[C:13])=[O:15]	1	42127
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+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:[n:6]:1>>[N:3]-[N:4].[C:5](-[O:9]-[C:8])(-[O:10]-[C:11])-[N:12](-[C:13])-[C:14].[c:1]-[C:2](-[N:6])=[O:7]	1	42145
+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[n:6]:[c:7]:[n:8]:1>>[N:5]-[N:6].[C:7](-[N:9](-[C:10])-[C:11])(-[O:14]-[C:13])-[O:15]-[C:16].[n:1]:[c:2]:[c:3]-[C:4](-[N:8])=[O:12]	1	42147
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[c:7]:1-[c:8]):[n:9]>>[N:4]-[N:5].[C:6](-[N:10](-[C:11])-[C:12])(-[O:15]-[C:14])-[O:16]-[C:17].[c:1]:[c:2](-[C:3](-[C:7]-[c:8])=[O:13]):[n:9]	1	42148
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]-[C:7](=[O:8])-[O:9]):[c:10]:1>>[N:3]-[N:4].[C:1]-[C:2](-[C:10]-[C:5](-[C:6]-[C:7](=[O:8])-[O:9])=[O:11])=[O:12]	1	42151
+[c:1]:1(:[n:2]:[c:3](-[c:4]):[n:5]:[n:6]:[c:8]:1-[C:7])-[O:9]>>[N:6]-[N:14].[C:1](-[C:8](-[C:7])=[O:13])(=[O:9])-[O:12]-[C:11]-[C:10].[N:2]-[C:3](-[c:4])=[N:5]	1	42159
+[C:1]-[c:2]:1:[c:3](-[O:4]):[n:5]:[c:6](-[C:7]):[n:8]:[n:9]:1>>[N:9]-[N:14].[C:1]-[C:2](-[C:3](=[O:4])-[O:12]-[C:11]-[C:10])=[O:13].[N:5]=[C:6](-[C:7])-[N:8]	1	42160
+[C:1]-[c:2]:1:[c:3](-[O:4]):[n:5]:[c:6](-[c:7]):[n:8]:[n:9]:1>>[N:8]-[N:9].[C:1]-[C:2](-[C:3](=[O:4])-[O:12]-[C:11]-[C:10])=[O:13].[N:5]-[C:6](-[c:7])=[N:14]	1	42161
+[c:1]:1:[c:2](-[c:3]:2:[n:4]:[n:5]:[c:6](-[O:7]):[c:8]:[c:9]:2):[c:10]:[n:11]:[n:12]:1>>[N:4]-[N:5].[C:6](=[O:7])(-[C:8]=[O:14])-[O:15].[c:1]:1:[c:2](-[C:3](-[C:9])=[O:13]):[c:10]:[n:11]:[n:12]:1	1	42165
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](=[O:6])-[N:7]-[N:8]):[c:9]:1>>[N:7]-[N:8].[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](=[O:6])-[O:12]-[C:11]-[C:10]):[c:9]:1	1	42168
+[O:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:2:[c:7]:1:[s:8]:[c:9]:[n:10]:2>>[N:3]-[N:4].[O:1]=[C:2](-[c:7]:1:[c:6](-[C:5]=[O:12]):[n:10]:[c:9]:[s:8]:1)-[O:11]-[C:13]	1	42178
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:2>>[N:1]-[N:2].[C:3](-[c:4]:1:[c:5](:[n:6]:[c:7]:[c:8]:[c:9]:1)-[Cl:11])=[O:10]	1	42179
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:1>>[N:6]-[N:7].[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5]=[O:10]):[c:8](:[n:9]:1)-[Cl:11]	1	42187
+[c:1]-[C:2]-[c:3]:1:[n:4]:[n:5]:[c:6](-[O:7]):[c:8](:[c:9]):[c:11]:1:[c:10]>>[N:4]-[N:5].[c:1]-[C:2]=[O:23].[C:3]-1(-[O:7]-[C:6](-[c:8](:[c:9]):[c:11]-1:[c:10])=[O:24])-[P+:25](-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2)(-[c:26]:3:[c:27]:[c:28]:[c:29]:[c:30]:[c:31]:3)-[c:32]:4:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:4	1	42196
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](-[c:6]):[n:7]:[n:8]:[c:9]:2:[n:10]:1>>[N:7]-[N:8].[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6])=[O:11]):[c:9](:[n:10]:1)-[Cl:12]	1	42199
+[c:1]:1(:[n:2]:[n:3]:[c:4](-[c:5]:[c:6]:[s:7]):[c:8](:[c:9]):[c:11]:1:[c:10])-[O:12]>>[N:2]-[N:3].[C:1](-[c:11](:[c:8](-[C:4](-[c:5]:[c:6]:[s:7])=[O:13]):[c:9]):[c:10])(=[O:12])-[O:14]	1	42210
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[c:7](-[C:8]):[n:9]:[n:10]:2>>[N:9]-[N:10].[c:1]:1:[c:2]:[c:3](:[c:4](:[c:5]:[n:6]:1)-[C:7](-[C:8])=[O:11])-[Cl:12]	1	42211
+[N:1]-[C:2]=[C:3](-[C:4](-[N:5]-[N:6])=[O:7])-[C:8]=[C:9]>>[N:5]-[N:6].[N:1]-[C:2]=[C:3](-[C:4](=[O:7])-[O:10])-[C:8]=[C:9]	1	42216
+[c:1]:[c:2]:1:[c:3]:[c:4]:2:[c:5](:[n:6]:1):[c:7](:[n:8]:[n:9]:[c:10]:2-[c:11])-[O:12]>>[N:8]-[N:9].[c:1]:[c:2]:1:[c:3]:[c:4](:[c:5](:[n:6]:1)-[C:7](=[O:12])-[O:15]-[C:14]-[C:13])-[C:10](-[c:11])=[O:16]	1	42224
+[c:1]:[c:2]:1:[n:3]:[c:4]:2:[n:5]:[n:6]:[c:7](-[N:8]):[c:9]:2:[c:10]:[c:11]:1>>[N:5]-[N:6].[c:1]:[c:2]:1:[n:3]:[c:4](:[c:9](-[C:7]#[N:8]):[c:10]:[c:11]:1)-[Cl:12]	1	42229
+[O:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:2:[c:7]:1:[c:8]:[c:9]:[n:10]:2>>[N:3]-[N:4].[O:1]=[C:2](-[c:7]:1:[c:6](-[C:5]=[O:14]):[n:10]:[c:9]:[c:8]:1)-[O:13]-[C:12]-[C:11]	1	42242
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[n:6]:[c:7]:1-[N:8]>>[N:5]-[N:6].[c:1]:[c:2](:[c:3]:[c:4])-[C:7]#[N:8]	1	42243
+[n:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[N:6]):[n:7]:[c:8]:[c:9]:1>>[N:5]-[N:6].[n:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[c:9]:1)-[Cl:10]	1	42252
+[C:1]-[c:2]:1:[c:3](-[c:4]):[c:5](-[c:6]:[c:7]-[O:8]):[n:9]:[n:10]:1>>[N:9]-[N:10].[C:1]-[C:2]-1=[C:3](-[c:4])-[C:5](-[c:6]:[c:7]-[O:8]-1)=[O:11]	1	42254
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5]-2:[c:6]:1-[C:7]-[c:8](:[c:9]-2):[s:10]>>[N:3]-[N:4].[c:1]-[C:2](-[C:6]-1-[C:5](-[c:9]:[c:8](-[C:7]-1):[s:10])=[O:12])=[O:11]	1	42255
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+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5]-[C:6]-1-[c:7]>>[N:3]-[N:4].[C:1]-[C:2](-[C:6](=[C:5])-[c:7])=[O:8]	1	42302
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+[C:1](=[O:2])(-[c:3]:1:[n:4]:[n:5]:[c:6](-[c:7](:[c:8]:[n:9]):[c:11]:[n:10]):[c:12]:1)-[O:13]>>[N:4]-[N:5].[C:1](=[O:2])(-[C:3](-[C:12]-[C:6](-[c:7](:[c:8]:[n:9]):[c:11]:[n:10])=[O:15])=[O:14])-[O:13]	1	42311
+[N:1](-[c:2]:1:[c:3]:[c:4]:[c:6](:[c:5]):[n:7]:1)-[N:8]>>[N:1]-[N:8].[c:2]:1(:[c:3]:[c:4]:[c:6](:[c:5]):[n:7]:1)-[Cl:9]	1	42312
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+[c:1]-[C:2]=[C:3]-[C:4](-[O:8])=[O:9]>>[c:1]-[C:2]=[O:10].[C:3](-[C:4](-[O:8])=[O:9])=[P:15](-[c:14]:1:[c:6]:[c:7]:[c:11]:[c:12]:[c:13]:1)(-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2)-[c:22]:3:[c:5]:[c:26]:[c:25]:[c:24]:[c:23]:3	1	43294
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+[C:1](=[O:2])-[O:3]>>[C:1](=[O:2])-[O:3]-[C:6]-[C:5]#[C:4]	1	43325
+[c:1]:1:[c:2]:[n:3]:2:[c:4](:[n:5]:[c:6](-[C:7]):[c:8]:2-[C:9](=[O:10])-[O:13]):[c:11]:[n:12]:1>>[C:6](-[C:7])(-[C:8](-[C:9](=[O:10])-[O:13])-[Cl:15])=[O:14].[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]):[c:11]:[n:12]:1	1	43358
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:7]:[c:8](-[C:9]):[o:10]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[C:6])=[O:11])-[Cl:12].[N:7]-[C:8](-[C:9])=[O:10]	1	43361
+[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](-[O:6]):[n:7]:[c:8](-[c:9](:[c:10]):[n:11]):[n:12]:1>>[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:15]-[C:14]-[C:13])=[O:16].[N:7]=[C:8](-[c:9](:[c:10]):[n:11])-[N:12]	1	43363
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])(-[C:6](-[c:7])-[O:9])-[O:8]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[O:8].[C:6](-[c:7])=[O:9]	1	43366
+[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5](=[O:6])-[O:7]-[c:8]:[c:9]-1:[c:10]>>[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:13]-[C:12]-[C:11])=[O:14].[O:7]-[c:8]:[c:9]:[c:10]	1	43374
+[C:1]=[C:2]-[C:3](-[C:4]-[C:5]-[C:6](=[O:7])-[O:10])=[C:8]-[C:9]>>[C:1]=[C:2]-[C:3](-[C:4]=[C:5]-[C:6](=[O:7])-[O:10])=[C:8]-[C:9]	1	43380
+[C:1]-[C:2](=[N:3]-[c:4])-[N:7](-[C:5]=[O:6])-[c:8]>>[C:1]-[C:2](-[O:11]-[C:10]-[C:9])(-[O:12]-[C:13]-[C:14])-[O:15]-[C:16]-[C:17].[N:3]-[c:4].[C:5](=[O:6])-[N:7]-[c:8]	1	43397
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6]):[n:10]:1:[c:9](:[c:7]):[c:8]>>[C:1]-[C:2](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[N:3]-[N:4]-[c:5](:[c:6]):[n:10]:[c:9](:[c:7]):[c:8]	1	43398
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[c:9]:[n:10]:1:2>>[C:1]-[C:2](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[N:3]-[N:4]-[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:[n:10]:1	1	43399
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:10]:2:[n:9]):[n:11]:1-[C:12]>>[C:1]-[C:2](-[O:15]-[C:14]-[C:13])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:20]-[C:21].[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:10]:1:[n:9])-[N:11]-[C:12]	1	43403
+[C:1](-[C:2]-[c:3](:[n:4]):[c:5])(=[O:6])-[O:7]>>[C:1](=[O:6])(-[O:7])-[O:10]-[C:9]-[C:8].[C:2]-[c:3](:[n:4]):[c:5]	1	43407
+[c:1]-[C:2](-[C:3](=[O:6])-[O:8])-[C:4](=[O:5])-[O:7]>>[C:3](=[O:6])(-[O:8])-[O:11]-[C:10]-[C:9].[c:1]-[C:2]-[C:4](=[O:5])-[O:7]	1	43411
+[c:1]:[c:4]:1:[c:3](:[c:2]):[c:7]:[c:6]:[s:5]:1>>[c:1]:[c:4](:[c:3]:[c:2])-[S:5]-[C:6]-[C:16](-[O:15]-[C:14]-[C:13])-[O:17]-[C:18]-[C:19].[c:7]:1:[c:8](:[c:9]:[c:10]:[c:11]:[c:12]:1)-[Cl:20]	1	43416
+[C:1]-1=[C:2]-[N:3]-[C:4](=[O:5])-[N:6]-1-[C:7]-[c:8]>>[C:7](-[c:8])-[Br:9].[C:1]-1=[C:2]-[N:3]-[C:4](=[O:5])-[N:6]-1	1	43425
+[o:1]:[c:2](-[C:3]=[C:4]-[c:5]):[c:6]>>[o:1]:[c:2](-[C:3]-[P:14](-[O:7]-[C:8]-[C:9])(-[O:13]-[C:12]-[C:11])=[O:15]):[c:6].[C:4](-[c:5])=[O:10]	1	43451
+[O:1]-[P:2](=[O:3])(-[O:4])-[c:5](:[c:6]):[c:7]>>[O:1]-[P:2](-[O:3])-[O:4].[c:5](:[c:6])(:[c:7])-[Br:8]	1	43453
+[C:1](-[C:2])(-[C:4](-[N:3])=[O:5])-[P:7](-[O:6])(=[O:8])-[O:9]>>[O:6]-[P:7](-[O:8]-[C:11]-[C:10])-[O:9].[C:1](-[C:2])(-[C:4](-[N:3])=[O:5])-[I:12]	1	43462
+[c:1]-[O:2]-[P:3](-[O:4])-[c:5]>>[P:3](-[O:4])(-[c:5])-[O:8]-[C:7]-[C:6].[c:1]-[O:2]	1	43468
+[O:1]-[C:2](=[O:3])-[C:4]-[O:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4].[O:5]-[c:6]	1	43481
+[O:1]=[C:2]-1-[C:3](=[N:4]-[C:5])-[N:6]-[C:7]=[C:8](-[Cl:9])-[N:10]-1>>[O:1]=[C:2]-1-[C:3](-[N:4]-[C:5])=[N:6]-[C:7]=[C:8]-[N:10]-1.[Cl:9]-[N:17]-1-[C:12](=[O:11])-[C:13]-[C:14]-[C:15]-1=[O:16]	1	43505
+[c:1]:1(:[n:2]:[c:3](:[c:4](:[c:5]):[n:7]:1):[c:6])-[Cl:8]>>[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]):[n:7]:1):[c:6].[Cl:8]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	1	43510
+[c:1]:[c:2](-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1):[c:8]:[n:9]>>[c:1]:[c:2](:[c:8]:[n:9])-[Br:10].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1	1	43531
+[c:1](-[C:2]-[S:3]-[C:4]):[c:5]:[n:6]>>[c:1](-[C:2]-[Cl:7]):[c:5]:[n:6].[S:3]-[C:4]	1	43537
+[O:1]-[C:2]-1=[C:3]-[N:4](-[C:5]-[c:6])-[N:7]=[C:8](-[C:9]-1=[O:10])-[Cl:11]>>[O:1]-[c:2]:1:[c:3]:[n:4]:[n:7]:[c:8](:[c:9]:1-[O:10])-[Cl:11].[C:5](-[c:6])-[Br:12]	1	43552
+[c:1]-[S:2](=[O:3])(=[O:4])-[n:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:1:[c:10]:[n:11]>>[n:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:1:[c:10]:[n:11].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:12]	1	43560
+[C:1]-[C:2](-[C:3])-[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:1:[c:9]>>[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:1:[c:9].[C:1]-[C:2](-[C:3])-[O:18]-[S:15](-[c:14]:1:[c:13]:[c:12]:[c:11](-[C:10]):[c:20]:[c:19]:1)(=[O:16])=[O:17]	1	43561
+[c:1]:[c:2]:[n:3]:1:[n:4]:[c:5](-[c:6]):[c:7](-[C:8]=[O:11]):[c:9]:1:[c:10]>>[c:1]:[c:2]:[n+:3](-[N:4]):[c:9]:[c:10].[C:5](-[c:6])#[C:7]-[C:8]=[O:11]	1	43562
+[C:1](-[C:2]-[N:3](-[C:4]=[O:5])-[C:6]=[O:7])=[O:8]>>[C:1](-[C:2]-[Br:9])=[O:8].[N:3](-[C:4]=[O:5])-[C:6]=[O:7]	1	43564
+[c:1]-[C:2]=[C:3]-[c:4]>>[c:1]-[C:2](=[O:6])-[Cl:7].[C:3](-[c:4])=[C:5]	1	43571
+[c:1]-[C:2]-1=[C:3]-[c:4](:[c:5]:[n:6]):[c:7]-[N:8](-[C:9])-[C:10]-1=[O:11]>>[c:1]-[C:2]-[C:10](=[O:11])-[O:13]-[C:12].[C:3](-[c:4](:[c:5]:[n:6]):[c:7]-[N:8]-[C:9])=[O:14]	1	43574
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[c:6]):[c:7]>>[n:1]:[c:2](-[N:3]):[c:7].[C:4](=[O:5])(-[c:6])-[O:9]-[C:8]	1	43575
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[c:7](:[c:8]):[n:9]):[c:10]:[n:11]>>[N:6]-[c:7](:[c:8]):[n:9].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:13]-[C:12]):[c:10]:[n:11]	1	43576
+[N:1]#[C:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[O:9]>>[N-:1]=[C:2]=[C:3]-1-[N+:4](-[C:5]=[C:6]-[C:7]=[C:8]-1-[O:9])=[O:10]	1	43597
+[c:1]:[c:3](:[n:2])-[N:4]-[C:5](-[n:6](:[c:9]):[c:15]:[c:8])=[S:7]>>[c:1]:[c:3](:[n:2])-[N:4].[C:5](-[n:6](:[c:9]):[c:15]:[c:8])(=[S:7])-[n:14]:1:[c:10]:[n:11]:[c:12]:[c:13]:1	1	43599
+[N:1]-[C:2](-[N:3])=[S:4]>>[N:1]-[C:2](-[n:3]:1:[c:7]:[n:6]:[c:5]:[c:8]:1)=[S:4]	1	43600
+[O:1]-[C:2]-1=[C:3]-[C:4]=[C:5]-[N:6]-2-[C:7](=[O:8])-[N:9]-[N:10]=[C:11]-1-2>>[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:11]:1-[N:10]-[N:9].[C:7](=[O:8])(-[n:14]:1:[c:13]:[c:12]:[n:21]:[c:20]:1)-[n:15]:2:[c:16]:[c:17]:[n:18]:[c:19]:2	1	43602
+[c:1]:[c:2](-[N:3]-1-[C:4]=[C:5]-[C:6]=[C:7](-[O:8])-[C:9]-1=[O:10]):[c:11]>>[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7](-[O:8]):[c:9]:1-[O:10].[c:1]:[c:2](:[c:11])-[I:12]	1	43604
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5](=[O:6])-[O:8]):[s:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[s:7]:1.[C:5](=[O:6])=[O:8]	1	43607
+[O:1]=[C:2]-1-[C:3]=[C:4](-[O:5])-[C:6]=[C:7]-[N:8]-1-[C:9]-[c:10]>>[O:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[c:6]:[c:7]:[n:8]:1.[C:9](-[c:10])-[Br:11]	1	43615
+[c:1]:[c:2](-[C:3]):[n:4]>>[c:1]:[c:2](-[C:3]-[O:5]):[n:4]	1	43617
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[O:18]-[n:17]:2:[c:12]:3:[c:11]:[c:10]:[c:9]:[c:14]:[c:13]:3:[n:15]:[n:16]:2.[c:1]-[N:2]	1	43624
+[n:1]:[n:2]:[c:3](-[C:4]):[c:5]>>[C:4]-[B:14]-1-[O:6]-[B:9](-[C:8])-[O:10]-[B:11](-[C:12])-[O:13]-1.[n:1]:[n:2]:[c:3](:[c:5])-[Cl:7]	1	43626
+[n:1]:1:[c:2](-[C:3]):[c:4]:[c:5]:[c:6]:1>>[C:3]-[B:14]-1-[O:13]-[B:11](-[O:10]-[B:9](-[C:8])-[O:15]-1)-[C:12].[n:1]:1:[c:2](:[c:4]:[c:5]:[c:6]:1)-[Br:7]	1	43628
+[c:1]:[c:2](:[n:3]:[c:4](-[C:5]):[c:6]):[c:7]>>[C:5]-[B:14]-1-[O:13]-[B:11](-[O:10]-[B:9](-[C:8])-[O:15]-1)-[C:12].[c:1]:[c:2](:[n:3]:[c:4](:[c:6])-[Cl:16]):[c:7]	1	43630
+[C:1]-[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]-[C:2]-1-[C:3](=[O:4])-[O:5]-[C:7](-[C:6])(-[C:8])-[O:9]-[C:10]-1=[O:11]	1	43632
+[O:1]=[C:2]-[O:3]-[C:4]-[C:5]>>[C:4](-[C:5])-[Cl:6].[O:1]=[C:2]-[O:3]	1	43660
+[C:1]-[C:2]-[N:3](-[c:4])-[c:5]>>[C:1]-[C:2]-[Cl:6].[N:3](-[c:4])-[c:5]	1	43675
+[B:1](-[O:2])(-[O:3])-[c:5](:[c:4]):[c:6]>>[c:4]:[c:5](:[c:6])-[Br:7].[B:1]-1(-[O:2]-[C:18]-[C:15](-[C:14]-[O:3]-1)(-[C:16])-[C:17])-[B:13]-2-[O:12]-[C:11]-[C:9](-[C:8])(-[C:10])-[C:20]-[O:19]-2	1	43701
+[C:1]#[C:2]-[C:3]>>[C:1](=[C:2]-[C:3])(-[Br:4])-[Br:5]	1	43722
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[n:6]:[c:7]:1-[O:8]-[C:9]-[C:10]>>[C:9](-[C:10])-[O:11].[c:1]:[c:2]-1:[c:3](:[c:4])-[O:5]-[N:6]-[C:7]-1=[O:8]	1	43724
+[c:1]:1:[n:2]:[n:3](:[c:4](:[c:5]):[c:6]:1)-[C:9](-[C:8])-[O:10]-[C:11]=[C:7]>>[C:7]=[C:11]-[O:10]-[C:9]-[C:8].[c:1]:1:[n:2]:[n:3]:[c:4](:[c:5]):[c:6]:1	1	43748
+[c:1]-[O:2]-[C:3]-1-[C:4]-[C:5]-[C:6]-[C:7]-[O:8]-1>>[C:3]-1-[C:4]-[C:5]-[C:6]=[C:7]-[O:8]-1.[c:1]-[O:2]	1	43766
+[c:1]:1:[n:2]:[n:3](-[C:4](-[C:5]-[C:6])-[O:7]):[c:8]:[n:9]:1>>[C:4](=[C:5]-[C:6])-[O:7].[c:1]:1:[n:2]:[n:3]:[c:8]:[n:9]:1	1	43775
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1>>[C:1]-[Mg:10]-[Br:9].[C:2](=[O:3])(-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)-[N:13](-[O:12]-[C:11])-[C:14]	1	43776
+[C:1]-[C:2](-[N:3]-[C:4]-[C:5]-[O:6]-[c:7])=[O:8]>>[C:1]-[C:2]-1=[N:3]-[C:4]-[C:5]-[O:8]-1.[O:6]-[c:7]	1	43780
+[O:1]=[C:2](-[O:3])-[N:5](-[C:4])-[C:6]-[c:7]>>[O:1]=[C:2](-[O:3])-[N:5]-[C:4].[C:6](-[c:7])-[Br:8]	1	43782
+[C:1](-[C:2])=[O:3]>>[C:1](-[C:2])#[N:7].[O:3]=[C:5](-[C:4])-[O:6]	1	43799
+[C:1]=[C:2]-[C:3]-[C:4](-[C:5])=[O:6]>>[C:1]=[C:2]-[C:3]-[C:4]-1(-[C:5])-[O:6]-[C:8]-[C:7]-[O:9]-1	1	43807
+[C:1]-[C:2](=[O:3])-[C:4]=[C:5]-[C:6]>>[C:5](-[C:6])=[O:7].[C:1]-[C:2](=[O:3])-[C:4]=[P:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:26]:[c:25]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	1	43809
+[C:1]-[C:2]=[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:22].[C:1]-[C:2]-[P+:7](-[c:6]:1:[c:20]:[c:21]:[c:23]:[c:24]:[c:25]:1)(-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3	1	43830
+[C:1]-[C:2](=[C:3]-[c:4])-[C:5]>>[C:1]-[C:2](-[C:5])=[O:15].[C:3](-[c:4])-[P+:20](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:19]:2:[c:13]:[c:14]:[c:16]:[c:17]:[c:18]:2)-[c:21]:3:[c:6]:[c:25]:[c:24]:[c:23]:[c:22]:3	1	43831
+[C:1]-[C:2](=[C:3]-[c:4])-[C:5]>>[C:1]-[C:2](-[C:5])=[O:6].[C:3](-[c:4])-[P+:11](-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:25]:[c:24]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	43835
+[C:1]-[N:2](-[C:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1)-[C:10]>>[C:1]-[N:2]-[C:10].[C:3](-[c:4]:1:[c:8]:[c:7]:[c:6]:[c:5]:[c:9]:1)=[O:11]	1	43859
+[o:1]:[c:2](-[C:3]-[c:4]):[c:5]>>[o:1]:[c:2](-[C:3](-[c:4])=[O:6]):[c:5]	1	43878
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4]-1-[O:5]-[C:7]-[C:6]-[O:8]-1	1	43880
+[C:1](-[c:2](:[n:3]):[c:4])=[O:5]>>[C:1]-1(-[c:2](:[n:3]):[c:4])-[O:5]-[C:7]-[C:6]-[O:8]-1	1	43882
+[c:1]:1:[n:2]:[c:3]:[c:5](:[c:4]):[n:6]:[c:7]:1-[N:8]-[c:9]>>[N:8]-[c:9].[c:1]:1:[n:2]:[c:3]:[c:5](:[c:4]):[n:6]:[c:7]:1-[Cl:10]	1	43883
+[C:1]-[C:2](-[O:3]-[c:4])-[C:5](=[O:6])-[N:7]>>[C:1]-[C:2](-[C:5](=[O:6])-[N:7])-[Cl:8].[O:3]-[c:4]	1	43890
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+[S:1]-[N:2]-[C:3](=[O:4])-[N:5]>>[S:1]-[N:2].[C:3](=[O:4])(-[N:5])-[O:6]	1	45900
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+[S:1]-[N:2]>>[S:1]-[N:2]=[C:6]-[N:4](-[C:3])-[C:5]	1	45965
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+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]=[N+:6]=[N-:7]>>[N-:5]=[N+:6]=[N-:7].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	46129
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+[N:1]-[C:2](-[C:3]-[N:4]-[S:5])=[C:6]-[C:7]>>[N:1]-[C:2](-[C:3](-[N:8])-[S:9](=[O:10])(=[O:11])-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)=[C:6]-[C:7].[N:4](-[S:5])-[C:24]-[C:23]=1-[O:22]-[C:21](-[C:19](=[O:18])-[O:20])=[C:28](-[C:26](-[C:25]=1)=[O:27])-[O:29]-[C:30]-[c:31]:2:[c:32]:[c:33]:[c:34]:[c:35]:[c:36]:2	1	46167
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+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8]:[c:9]:1>>[n:1]:1:[c:2]:[c:3](:[c:8]:[c:9]:1)-[Br:10].[c:4](:[c:5]:[n:6])(:[c:7])-[B:12](-[O:11])-[O:13]	1	46192
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5](-[C:6])-[C:7](=[O:8])-[N:9]-[c:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6].[C:7](=[O:8])=[N:9]-[c:10]	1	46194
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+[n:1]:[c:2](-[C:3]-1=[N:4]-[C:5]-[C:6]-[S:7]-1):[c:8]>>[n:1]:[c:2](-[C:3](-[N:4]-[C:5]-[C:6]-[S:7]-[C:13]-[c:14]:1:[c:11]:[c:10]:[c:9]:[c:16]:[c:15]:1)=[O:12]):[c:8]	1	46215
+[O:1]-[c:2]:[c:3]:[n:4]>>[O:1](-[c:2]:[c:3]:[n:4])-[S:5](-[C:6])(=[O:7])=[O:8]	1	46221
+[c:1]:[c:2](-[C:3]-1=[N:4]-[C:5]-[C:6]-[O:7]-1):[n:8]>>[c:1]:[c:2](-[C:3](-[N:4]-[C:5]-[C:6]-[O:7])=[O:9]):[n:8]	1	46229
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7]>>[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7])-[S:12](-[C:11])(=[O:13])=[O:14].[c:1]-[N:2]-[C:10]=[O:15]	1	46232
+[c:1]:1:[c:2]:[c:3](-[O:4]-[C:5]):[n:6]:[c:7]:[n:8]:1>>[c:1]:1:[c:2]:[c:3](:[n:6]:[c:7]:[n:8]:1)-[S:10](-[C:9])(=[O:11])=[O:12].[O:4]-[C:5]	1	46238
+[n:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[N:6]-[c:7]):[n:8]>>[n:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[Cl:9]):[n:8].[N:6]-[c:7]	1	46239
+[S:1]-[N:2]-[C:3]-[N:4]>>[S:1]-[N:2]=[C:3]-[N:4]	1	46291
+[N:1]-[S:2].[c:3]-[N:4]>>[N:1](-[S:2])-[C:6](-[N:4]-[c:3])=[O:5]	1	46293
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+[c:1]-[N:2]=[C:3](-[C:4]-1=[C:5](-[O:6])-[C:7]-[C:8]-[N:9](-[C:10])-[C:11]-1=[O:12])-[N:13]-[S:14]>>[c:1]-[N:2]-[C:3](-[C:4]-[C:11](=[O:12])-[O:15])=[N:13]-[S:14].[C:5](-[O:6]-[C:17]-[C:16])(-[C:7]-[C:8]-[N:9]-[C:10])=[O:18]	1	46305
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+[c:1]:1:[n:2]:[n:3]:[c:5](:[c:4]):[c:6]:1-[N+:7](=[O:8])-[O-:9]>>[N+:7](=[O:8])=[O:9].[c:1]:1:[n:2]:[n:3]:[c:5](:[c:4]):[c:6]:1	1	46323
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+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5]-2-[C:6]-[C:7]-2):[c:8]:1>>[C:5]-1(-[C:6]-[C:7]-1)-[B:11](-[O:10])-[O:12].[n:1]:1:[n:2]:[c:3]:[c:4](:[c:8]:1)-[Br:9]	1	46366
+[n:1]:[c:2]:[c:8]:[c:4](:[c:3])-[C:5]-1-[C:6]-[C:7]-1>>[C:5]-1(-[C:6]-[C:7]-1)-[B:11](-[O:10])-[O:12].[n:1]:[c:2]:[c:8]:[c:4](:[c:3])-[Br:9]	1	46375
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+[N:1]-1-[C:2](-[C:3])=[C:4](-[C:5]-2-[C:6]-[C:7]-2)-[C:8](=[O:9])-[N:10]-1>>[C:5]-1(-[C:6]-[C:7]-1)-[B:13](-[O:12])-[O:14].[N:1]-1-[C:2](-[C:3])=[C:4](-[C:8](=[O:9])-[N:10]-1)-[Br:11]	1	46381
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+[c:1]:[c:3]:[c:2]>>[c:1]:[c:3](:[c:2])-[B:5](-[O:4])-[O:6]	1	46398
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+[C:1]=[C:2]-[O:3]>>[C:1](-[C:2]-[O:3])-[Br:4]	1	48442
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+[c:1]:1:[c:2](-[C:3](-[c:4])-[C:10]#[N:9]):[n:5]:[c:6]:[n:7]:[c:8]:1>>[c:1]:1:[c:2](:[n:5]:[c:6]:[n:7]:[c:8]:1)-[Cl:11].[C:3](-[c:4])-[C:10]#[N:9]	1	48567
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+[n:1]:[c:2](-[N:3]-[c:4]:1:[n:5]:[c:6]:2:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:2:[s:12]:1):[c:13]>>[C:4](=[N:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:1-[Cl:14])=[S:12].[n:1]:[c:2](-[N:3]):[c:13]	1	48612
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+[O:1]-[C:2](=[O:3])-[C:4](=[N+:5]=[N:6])-[C:7]=[O:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:7]=[O:8].[N+:5](=[N:6])=[N-:9]	1	48668
+[O:1]=[C:2]-1-[C:3](-[I:4])=[C:5]-[C:6](-[C:7])=[C:8]-[N:9]-1-[C:10]-[c:11]>>[C:10](-[c:11])-[Br:12].[O:1]-[c:2]:1:[c:3](-[I:4]):[c:5]:[c:6](-[C:7]):[c:8]:[n:9]:1	1	48680
+[O:1]=[C:2](-[c:3]:1:[c:4]:[c:5](-[O:6]-[C:7]-[c:8]):[n:9]:[n:10]:1-[C:11])-[N:12]>>[C:7](-[c:8])-[Br:13].[O:1]=[C:2](-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:9]-[N:10]-1-[C:11])-[N:12]	1	48683
+[N:1]-[c:2]:1:[c:3](-[c:4](:[n:5]):[n:6]):[c:7](-[O:8]):[n:9]:[c:10]:2:[c:11]:1:[n:12]:[c:13]:[n:14]:2>>[N:1]#[C:2]-[c:11]:1:[c:10](-[N:9]):[n:14]:[c:13]:[n:12]:1.[C:3](-[c:4](:[n:5]):[n:6])-[C:7](=[O:8])-[O:17]-[C:16]-[C:15]	1	48695
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]:[n:7]):[s:8]>>[N:4]-[c:5](:[c:6]:[n:7]):[s:8].[c:1]-[C:2](=[O:3])-[O:9]	1	48697
+[c:1]:1-[C:2](=[O:3])-[N:4](-[c:5]:2:[c:6]:[n:7]:[n:8]:[c:9]:2)-[C:10]-[c:11]:1>>[c:1](-[C:2](=[O:3])-[O:13]-[C:12]):[c:11]-[C:10]-[Br:14].[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1	1	48711
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+[n:1]:1:[c:2](-[O:3]):[c:4](-[C:5](-[C:6])=[O:12]):[c:7](:[c:8](:[c:9]:1:[c:10]):[c:11])-[O:13]>>[N:1](-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:12])-[c:9](:[c:8](-[C:7](=[O:13])-[O:15]-[C:14]):[c:11]):[c:10]	1	48734
+[O:1]=[C:2]-[C:3]-[O:4]>>[O:1]=[C:2]-[C:3]-[O:4]-[C:6](-[C:5])=[O:7]	1	48746
+[c:1]-[C:2]-[N:3]-1-[N:4]=[C:5](-[C:6](-[C:7])=[C:8]-[C:9]-1=[O:10])-[Cl:11]>>[n:3]:1:[n:4]:[c:5](:[c:6](-[C:7]):[c:8]:[c:9]:1-[O:10])-[Cl:11].[c:1]-[C:2]-[Br:12]	1	48749
+[c:1]-[C:2]-[N:3]-1-[N:4]=[C:5](-[C:6]=[C:7]-[C:8]-1=[O:9])-[Cl:10]>>[n:3]:1:[n:4]:[c:5](:[c:6]:[c:7]:[c:8]:1-[O:9])-[Cl:10].[c:1]-[C:2]-[Br:11]	1	48754
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[s:9]>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[s:9])-[Cl:10].[c:1]-[N:2]	1	48769
+[c:1]:1:[c:2]:[n:3]:[n:4](-[C:5]-[C:6]):[c:7]:1:[n:8]>>[c:1]:1:[c:2]:[n:3]:[n:4]:[c:7]:1:[n:8].[C:5](-[C:6])-[Cl:9]	1	48770
+[O:1]-[C:2]-1-[C:3](=[O:4])-[N:5](-[C:6])-[C:8]-1(-[c:7])-[c:9]>>[O:1]-[C:2]-[C:3](=[O:4])-[O:10].[N:5](-[C:6])=[C:8](-[c:7])-[c:9]	1	48780
+[c:1](-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1):[c:11]:[n:12]>>[c:1](-[C:2]#[C:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10]):[c:11]:[n:12]	1	48790
+[c:1]:1:[c:2]:[n:3]:2:[c:4]:[c:5](-[c:6]):[n:7]:[c:8]:2:[n:9]:[c:10]:1>>[C:4](-[C:5](-[c:6])=[O:11])-[Br:12].[c:1]:1:[c:2]:[n:3]:[c:8](-[N:7]):[n:9]:[c:10]:1	1	48827
+[C:1]-[C:2]-1=[C:3]-[C:4]=[C:5]-[N:6](-[c:7](:[c:8]):[c:9])-[C:10]-1=[O:11]>>[c:7](:[c:8])(:[c:9])-[F:12].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:10]:1-[O:11]	1	48830
+[c:1]-[N:2]-1-[C:3]-[C:4]-[O:5]-[C:6]-1=[O:7]>>[c:1]-[N:2]-[C:6](-[O:5]-[C:4]-[C:3]-[Cl:8])=[O:7]	1	48834
+[c:1]:[c:2](-[O:3]-[C:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[O:15].[O:3](-[C:4])-[S:10](-[c:9]:1:[c:8]:[c:7]:[c:6](:[c:14]:[c:13]:1)-[N+:17](=[O:16])-[O-:18])(=[O:11])=[O:12]	1	48855
+[N:1]-[C:2](-[C:3](-[C:4](-[C:5])-[O:8])-[c:6])=[S:7]>>[N:1]-[C:2](-[C:3](=[C:4](-[C:5])-[O:8])-[c:6])=[S:7]	1	48896
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[c:7])-[c:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[c:8].[C:5](=[O:6])(-[c:7])-[O:9]	1	48897
+[n:1]:[c:2](-[C:3]=[C:4]-[C:5](=[O:7])-[O:8]):[c:6]>>[n:1]:[c:2](-[C:3]=[O:26]):[c:6].[C:4](-[C:5](=[O:7])-[O:8])=[P:11](-[c:10]:1:[c:9]:[c:28]:[c:27]:[c:25]:[c:24]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	48926
+[c:1]:1:[c:2]:[n:3](-[S:4](=[O:5])(=[O:6])-[c:7]):[c:8]:[n:9]:1>>[c:1]:1:[c:2]:[n:3]:[c:8]:[n:9]:1.[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:10]	1	48927
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+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:10]:[n:9]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:11].[N:6]-[c:7](:[n:8]):[c:10]:[n:9]	1	48960
+[C:1]-1-[N:2]-[C:3](=[O:4])-[n:5]:2:[c:6]-1:[n:7]:[c:8]:[c:9]:2:[c:10]>>[C:1](-[N:2])-[c:6]:1:[n:5]:[c:9](:[c:8]:[n:7]:1):[c:10].[C:3](=[O:4])(-[n:13]:1:[c:12]:[c:11]:[n:20]:[c:19]:1)-[n:14]:2:[c:15]:[c:16]:[n:17]:[c:18]:2	1	48972
+[c:1](:[c:2](-[C:3]-[N:4]-[c:5]):[n:6]):[n:7]>>[c:1](:[c:2](-[C:3]=[O:8]):[n:6]):[n:7].[N:4]-[c:5]	1	48978
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[c:7])-[C:8]-[N+:9]>>[C:6](-[c:7])=[C:8]-[N+:9].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1	1	48981
+[c:1](:[c:2]:[c:3]:[c:4])-[N:5]>>[c:1](:[c:2]:[c:3](:[c:4])-[Cl:8])-[N+:5](=[O:6])-[O-:7]	1	48987
+[O:1]=[C:2](-[c:3]:1:[c:4]:[n:5]:[c:6](-[S:7]-[C:8]-[c:9]):[n:10]:1-[c:11])-[N:12]>>[C:8](-[c:9])-[Br:13].[O:1]=[C:2](-[C:3]-1=[C:4]-[N:5]-[C:6](=[S:7])-[N:10]-1-[c:11])-[N:12]	1	49036
+[c:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[I:19].[n:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:1)-[c:13]:2:[c:12]:[c:11]:[c:10](-[C:9]):[c:18]:[c:14]:2-[C:15](=[O:16])-[O:17]	1	49038
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[c:10]:[c:11]:1>>[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[C:10]=[O:13].[c:1]-[C:2](-[C:11])=[O:12]	1	49055
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6]#[N:7]):[c:8](-[N:9]):[c:10]:1:[c:11]>>[c:1]:[c:2](-[N:3]-[C:4]=[C:5](-[C:6]#[N:7])-[C:8](-[N:9])=[O:12]):[c:10]:[c:11]	1	49056
+[N:1]-1(-[C:2]-[c:3]:[c:5](:[n:4])-[C:6]-1)-[C:9]>>[C:2](-[c:3]:[c:5](:[n:4])-[C:6]-[Br:7])-[Br:8].[N:1]-[C:9]	1	49137
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7](:[s:8]):[c:9]:[c:10]:1>>[c:1]:1:[n:2]:[c:3](:[c:7](:[s:8]):[c:9]:[c:10]:1)-[Br:11].[c:4](:[c:5])(:[c:6])-[B:13](-[O:12])-[O:14]	1	49164
+[C:1]-[C:2]=[C:3]-[c:4](:[c:5]:[n:6]):[n:7]>>[C:3](-[c:4](:[c:5]:[n:6]):[n:7])=[O:8].[C:1]-[C:2]-[P+:13](-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:27]:[c:26]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	1	49207
+[c:1]:[c:2](-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[n:7]):[c:9]>>[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[n:7].[c:1]:[c:2](:[c:9])-[Br:10]	1	49218
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+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5](-[N:6]-[c:7]:[c:9]:[n:8]):[c:10]:1>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5](:[c:10]:1)-[Cl:11].[N:6]-[c:7]:[c:9]:[n:8]	1	49224
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[O:8].[n:3]:1:[c:6]:[c:5]:[n:16](:[c:7]:1)-[C:10](=[O:9])-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	1	49243
+[n:1]:[c:2]:[c:3](-[C:4](-[c:5])=[O:8]):[c:6]:[n:7]>>[n:1]:[c:2]:[c:3](-[C:4](-[c:5])-[O:8]):[c:6]:[n:7]	1	49257
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+[c:1]:1:[c:2]:[o:3]:[c:4]:[c:5]:1>>[c:1]:1:[c:2](:[o:3]:[c:4]:[c:5]:1)-[Br:6]	1	49327
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+[c:1](:[s:2]):[c:3]-[N:4]>>[c:1](:[s:2]):[c:3]-[N+:4](=[O:5])-[O-:6]	1	49350
+[C:1]-[c:2]>>[C:1](-[c:2])-[Br:3]	1	49373
+[O:1]=[C:2](-[C:3])-[O:4]>>[O:1]=[C:2](-[C:3])-[O:4]-[C:7]-[C:6]-[C:5]	1	49376
+[O:1]=[C:2]-1-[N:3]-[c:4](:[c:5]-[C:7](=[O:8])-[C:9]-1-[c:10]):[n:6]>>[O:1]=[C:2](-[N:3]-[c:4](:[c:5]-[C:7](=[O:8])-[O:13]-[C:12]-[C:11]):[n:6])-[C:9]-[c:10]	1	49384
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+[N:1]-[N:2]>>[N:1]-[N+:2](=[O:3])-[O-:4]	1	49455
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+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[o:5]:[c:6](-[C:7]):[n:8]:[c:9]:2:[n:10]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](-[O:5]):[c:9](-[N:8]):[n:10]:1.[C:6](-[C:7])(=[O:11])-[O:12]	1	49504
+[c:1]-[N:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]>>[c:1]-[N:2].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[Br:8]	1	49535
+[N:1](-[C:2])-[C:3](=[O:4])-[c:5]>>[N:1]-[C:2].[C:3](=[O:4])(-[c:5])-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:6]:[c:14]:[c:13]:[c:12]:[c:11]:1	1	49555
+[C:1]-[C:2]-1-[C:3]-[C:4]-[C:5](-[C:6](=[O:7])-[O:8])-[C:9]-[N:10]-1>>[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6](=[O:7])-[O:8]):[c:9]:[n:10]:1	1	49571
+[C:1]-[C:2]-1=[N:3]-[N:4](-[C:5]-[c:6])-[C:7](=[O:8])-[c:9](:[c:10]):[c:12]-1:[c:11]>>[C:1]-[c:2]:1:[n:3]:[n:4]:[c:7](-[O:8]):[c:9](:[c:10]):[c:12]:1:[c:11].[C:5](-[c:6])-[Br:13]	1	49575
+[n:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:8](:[c:7]):[c:9](-[N:10]-[c:11]):[n:12]:1):[c:13]>>[n:1]:[c:2](-[C:3](-[O:14])=[O:16]):[c:13].[N:10]-[c:11].[N:4]-[c:5](:[c:6]):[c:8](:[c:7])-[C:9](-[N:12])=[O:15]	1	49595
+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[O:7]-1>>[c:1]-[C:2](-[N:3]-[N:4])=[O:7].[C:5](=[O:6])(-[n:10]:1:[c:9]:[c:8]:[n:17]:[c:16]:1)-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	1	49598
+[C:1]-[c:2]:1:[c:3]:[c:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2]#[C:3]-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[N:10]	1	49607
+[O:1]=[C:2]-1-[C:3]=[C:4](-[N:5]-[C:6])-[C:7]=[C:8]-[N:9]-1>>[O:1]=[C:2]-1-[C:3]=[C:4](-[C:7]=[C:8]-[N:9]-1)-[O:10].[N:5]-[C:6]	1	49624
+[c:1]:1:[c:2](:[c:3]:[n:4]):[c:5](-[N:6]-[c:7]):[n:8]:[c:9]:[n:10]:1>>[N:6]-[c:7].[c:1]:1:[c:2](:[c:3]:[n:4]):[c:5](:[n:8]:[c:9]:[n:10]:1)-[S:12]-[C:11]	1	49632
+[O:1]=[P:2](-[c:3])(-[c:4])-[c:5](:[c:6]):[c:7]>>[c:5](:[c:6])(:[c:7])-[Br:8].[O:1]=[P:2](-[c:3])(-[c:4])-[Cl:9]	1	49638
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+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:7]:1-[C:8]=[O:9]>>[N:1]-[C:2](-[N:3]-[N:4]-[C:5](-[C:6])=[O:10])=[N:7]-[C:8]=[O:9]	1	49651
+[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[C:6])-[N:12]-[C:13]-1=[N:14].[c:7]:[c:8](-[Br:9]):[c:10]:[c:11]>>[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[C:6])-[N:12]=[C:13]-1-[N:14].[c:7]:[c:8]:[c:10](-[Br:9]):[c:11]	1	49653
+[c:1]-[C:2](-[C:3]-[c:4])(-[c:5])-[O:6]>>[c:1]-[C:2](-[c:5])=[O:6].[C:3]-[c:4]	1	49657
+[C:1](=[O:2])-[N:3]-[N:4]-[C:5](=[O:6])-[c:7](:[n:8]):[c:9]>>[C:5](=[O:6])(-[c:7](:[n:8]):[c:9])-[O:10].[C:1](=[O:2])-[N:3]-[N:4]	1	49662
+[c:1]:[c:4]:1:[c:3](:[c:2]):[c:7](:[c:6]:[o:5]:1)-[C:8]-[C:9](=[O:10])-[O:11]-[C:38]-[C:37]>>[c:1]:[c:4]-1:[c:3](:[c:2])-[C:7](-[C:6]-[O:5]-1)=[O:12].[c:13]:1:[c:14]:[c:15]:[c:38](:[c:16]:[c:17]:1)-[C:37].[C:8](-[C:9](=[O:10])-[O:11])=[P:22](-[c:21]:1:[c:20]:[c:19]:[c:18]:[c:36]:[c:35]:1)(-[c:23]:2:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:2)-[c:29]:3:[c:30]:[c:31]:[c:32]:[c:33]:[c:34]:3	1	49663
+[N:1]-[C:2](-[N:3]-[c:4](:[c:5]):[n:7])=[S:6]>>[N:3]-[c:4](:[c:5]):[n:7].[N:1](=[C:2]=[S:6])-[C:9](=[O:8])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	49666
+[N:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[s:6]:1):[c:7]:[n:8]:[n:9]:2>>[N:1]-[C:2](-[N:3]-[c:4]:1:[c:5]:[c:7]:[n:8]:[n:9]:1)=[S:6]	1	49667
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[N:6]):[c:7](:[c:8]):[c:10](:[c:9]):[n:11]:[n:12]:1>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])=[N:12]-[N:11]-[c:10](:[c:7]:[c:8]):[c:9]	1	49671
+[C:1](-[C:2]-[N:3])=[O:4]>>[C:1](-[C:2]-[N:3]=[N+:6]=[N-:5])=[O:4]	1	49685
+[N:1]-[C:2]=[C:3](-[C:4](=[O:5])-[c:6])-[C:7](=[O:8])-[O:9]>>[N:1]-[C:2]=[C:3]-[C:7](=[O:8])-[O:9].[C:4](=[O:5])(-[c:6])-[Cl:10]	1	49686
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+[N:1]-[C:2](-[C:3]-[O:4])=[C:5]>>[N:1]-[C:2](-[C:3](=[O:4])-[O:8]-[C:7]-[C:6])=[C:5]	1	49713
+[c:1]:[c:2](-[N:3]=[C:7]):[n:4]:[c:5]:[c:6]>>[c:1]:[c:2](:[n:4]:[c:5]:[c:6])-[Br:8].[N:3]=[C:7]	1	49714
+[c:1]:[c:2](-[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1):[n:8]:[c:9]:[c:10]>>[c:1]:[c:2](:[n:8]:[c:9]:[c:10])-[Br:11].[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1	1	49715
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]=[O:6]):[c:7]:[n:8]>>[c:1]:[c:2](:[c:7]:[n:8])-[I:9].[N:3](-[C:4])-[C:5]=[O:6]	1	49720
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[C:3](-[O:4])(-[c:5](:[c:6]):[o:7])=[O:8].[C:1]-[N:2]	1	49723
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[o:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[o:7])-[O:8].[c:1]-[N:2]	1	49724
+[c:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[s:8]:2):[c:9](:[n:10]:1)-[O:11]>>[C:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[s:8]:1)-[C:9](-[N:10]-[C:12])=[O:11].[c:1]-[C:2]#[N:13]	1	49728
+[c:1]:1:[c:2]:[c:3](-[C:4]#[N:5]):[c:6]:[c:7]:[n:8]:1>>[C:4](#[N:5])-[c:17]:1:[c:16]:[c:15](-[C:13](-[O:12]-[C:11]-[C:10])=[O:14]):[n:21]:[c:19](:[c:18]:1)-[C:20].[c:1]:1:[c:2]:[c:3](:[c:6]:[c:7]:[n:8]:1)-[Br:9]	1	49755
+[N:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[n:7]>>[N:1]-[C:2](=[O:3])-[N:4](-[c:5](:[n:6]):[n:7])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	49787
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[c:6])-[C:7](=[C:8])-[C:9]>>[N:3]-[c:4](:[n:5]):[c:6].[O:1]=[C:2](-[C:7](=[C:8])-[C:9])-[Cl:10]	1	49814
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8]):[n:11]>>[N:5]-[c:6](:[c:7]):[n:10]:[c:9]:[c:8].[c:1]:[c:2](-[C:3]=[C:4]-[O:16]-[C:15]-[C:14]-[C:13]-[C:12]):[n:11]	1	49823
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[c:5]:2:[c:6](:[n:7]:[c:8]:[n:9]:[c:10]:2):[s:11]:1)-[O:12]>>[C:1](=[O:2])(-[C:3]-[S:11]-[c:6]:1:[c:5](-[C:4]=[O:13]):[c:10]:[n:9]:[c:8]:[n:7]:1)-[O:12]	1	49833
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:5](-[O:4]-[C:3])-[C:6]	1	49841
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+[n:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:[c:8]:1-[N:9](-[C:10])-[C:11]>>[N:9](-[C:10])-[C:11].[n:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:[c:8]:1-[Cl:12]	1	49859
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+[N:1]-[C:2]=[C:3](-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[n:9])-[C:10]=[O:11]>>[N:1]-[C:2]=[C:3](-[C:4](=[O:5])-[O:12])-[C:10]=[O:11].[N:6]-[c:7](:[n:8]):[n:9]	1	49893
+[C:1](=[O:2])-[C:3](-[C:4]#[N:5])=[C:6]-[N:7]>>[C:1](=[O:2])-[C:3](-[C:4](-[N:5])=[O:8])=[C:6]-[N:7]	1	49895
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+[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1-[c:7]:2:[n:8]:[c:9]:[c:10]:[n:11]:[c:12]:2>>[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1.[c:7]:1(:[n:8]:[c:9]:[c:10]:[n:11]:[c:12]:1)-[Cl:13]	1	49912
+[c:1](-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]):[c:9]:[n:10]>>[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8].[c:1](-[C:2]-[Br:11]):[c:9]:[n:10]	1	49915
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]):[c:10]>>[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8].[c:1]:[c:2](:[c:10])-[Br:11]	1	49916
+[O:1]=[C:2](-[C:3]-[N:4](-[C:5]-[C:6]=[C:7])-[C:8])-[N:9]>>[O:1]=[C:2](-[C:3]-[Cl:10])-[N:9].[N:4](-[C:5]-[C:6]=[C:7])-[C:8]	1	49918
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+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6](:[n:7]):[c:8]):[s:9]:1>>[C:1]-[C:2](-[N:3]-[N:4]-[C:5](-[c:6](:[n:7]):[c:8])=[O:32])=[O:31].[S:9]=[P:19]-1(-[S:18]-[P:16](-[c:15]:2:[c:14]:[c:13]:[c:12](-[O:11]-[C:10]):[c:30]:[c:29]:2)(=[S:17])-[S:28]-1)-[c:20]:3:[c:21]:[c:22]:[c:23](-[O:24]-[C:25]):[c:26]:[c:27]:3	1	49923
+[c:1](:[c:2]-[C:3]-[c:4]:[c:5]:[n:6]):[n:7]>>[c:1](:[c:2]-[C:3](-[c:4]:[c:5]:[n:6])-[O:8]):[n:7]	1	49946
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:7](=[O:8])-[c:9]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1.[C:7](=[O:8])(-[c:9])-[Cl:10]	1	49949
+[N:1]-1-[C:2](-[C:3]-[C:4]-[c:5]:[c:6]-1)=[O:7]>>[N:1]-[c:6]:[c:5]-[C:4]=[C:3]-[C:2](=[O:7])-[O:10]-[C:9]-[C:8]	1	49965
+[c:1]:[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[c:1]:[c:2](:[n:3]:[c:4](:[c:5])-[Cl:7]):[c:6]	1	49996
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+[c:1]:1:[c:2]:[n:3](:[n:4]:[c:5]:1:[c:6])-[C:8]-[c:7]>>[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1:[c:6].[c:7]-[C:8]-[Cl:9]	1	50013
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+[c:1](:[c:2]:[n:3]):[c:4]>>[c:1](:[c:2]:[n:3])(:[c:4])-[F:5]	1	50119
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+[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1>>[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:8]-[O:7]	1	50122
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5]:[c:6]:1>>[c:1]:1:[n:2]:[c:3](:[n:4]:[c:5]:[c:6]:1)-[S:7]	1	50128
+[n:1]:[c:2](-[C:3]-[N:4]):[n:5]>>[n:1]:[c:2](-[C:3]#[N:4]):[n:5]	1	50132
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+[C:1]-[C:2](-[C:3](=[C:4])-[O:5])-[n:6]:1:[n:7]:[c:8]:[c:9]:[c:11]:1:[n:10]>>[n:6]:1:[n:7]:[c:8]:[c:9]:[c:11]:1:[n:10].[C:1]-[C:2](-[C:3](=[C:4])-[O:5])-[Br:12]	1	50141
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+[N:1]-1-[C:2](-[C:3]-[C:4](-[c:5]:2:[c:6]:[n:7]:[c:8]:[c:9]:2)-[C:10]-1=[O:12])=[O:11]>>[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1.[N:1]-1-[C:2](-[C:3]=[C:4]-[C:10]-1=[O:12])=[O:11]	1	50173
+[N:1]#[C:2]-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:8](:[c:7]):[c:9]:[c:10]:1>>[N-:1]=[C:2]=[C:3]-1-[N+:4](-[c:5](:[c:6]):[c:8](:[c:7])-[C:9]=[C:10]-1)=[O:11]	1	50181
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:7](=[O:8])-[N:9]-[c:10]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1.[C:7](=[O:8])=[N:9]-[c:10]	1	50206
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+[c:1]:[c:2]:1:[c:3]:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[c:9](-[N:10]-[c:11]):[n:12]:1>>[N:10]-[c:11].[c:1]:[c:2]:1:[c:3]:[c:4]:2:[c:5]:[n:6](:[n:7]:[c:8]:2:[c:9](:[n:12]:1)-[Cl:20])-[C:19]-[c:18]:3:[c:17]:[c:16]:[c:15](-[O:14]-[C:13]):[c:22]:[c:21]:3	1	50213
+[O:1]-[C:2](-[c:3](:[c:4]):[c:6]:[n:5])(-[C:7])-[C:8]>>[O:1]=[C:2](-[C:7])-[C:8].[c:3](:[c:4]):[c:6]:[n:5]	1	50241
+[C:1]-[N:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:3](-[c:4]:[c:5]:[n:6])=[O:18].[C:1]-[n:2]:1:[c:9](:[c:8](-[C:7]):[c:17]:2:[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:2)-[C:10]=[O:11]	1	50252
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[s:9]>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[s:9])-[Cl:10].[c:1]-[O:2]	1	50257
+[n:1]:[c:2](:[c:3])-[C:5](-[C:4])=[C:6]-[c:7]>>[n:1]:[c:2](:[c:3])-[C:5]-[C:4].[C:6](-[c:7])=[O:8]	1	50271
+[C:1](-[c:2](:[c:3]):[s:4])-[O:5]>>[C:1](-[c:2](:[c:3]):[s:4])(=[O:5])-[O:7]-[C:6]	1	50282
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]=[N:3]-[O:4]	1	50284
+[C:1]-[c:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1-[c:7]>>[C:1]-[C:2]#[C:3].[N-:4]=[N+:5]=[N:6]-[c:7]	1	50286
+[C:1]-[N:2](-[C:3])-[C:4]=[O:5]>>[C:1]-[N:2]-[C:3].[C:4](-[O:5]-[c:12]:1:[c:11]:[c:10]:[c:9](-[N+:7](=[O:6])-[O-:8]):[c:15]:[c:14]:1)=[O:13]	1	50298
+[O:1]-[C:2](=[O:3])-[C:4](=[O:5])-[c:6](:[c:7]:[n:8]):[c:10]:[n:9]>>[O:1]-[C:2](=[O:3])-[C:4](-[O:5])-[c:6](:[c:7]:[n:8]):[c:10]:[n:9]	1	50313
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5])-[c:6](:[c:7]:[n:8]):[c:10]:[n:9]>>[O:1]-[C:2](=[O:3])-[C:4](=[O:5])-[c:6](:[c:7]:[n:8]):[c:10]:[n:9]	1	50314
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[Br:9].[c:1]:[c:2](:[c:6])-[Mg:8]-[Br:7]	1	50348
+[c:1](:[n:2]:[c:3](-[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:1):[c:9]):[c:10]>>[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:1.[c:1](:[n:2]:[c:3](:[c:9])-[Br:11]):[c:10]	1	50351
+[C:1](=[O:2])-[C:3]-[C:4](-[c:5])=[O:6]>>[C:1](=[O:2])-[C:3].[C:4](-[c:5])(=[O:6])-[O:9]-[C:8]-[C:7]	1	50368
+[C:1]-[C:2]-[c:3](:[c:4]:[n:5]):[n:6]>>[C:1]#[C:2]-[c:3](:[c:4]:[n:5]):[n:6]	1	50382
+[C:1]=[C:2](-[N:3])-[C:4](=[O:5])-[N:6]>>[N:3](=[N+:20]=[N-:19])-[P:21](-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)(=[O:22])-[c:23]:2:[c:9]:[c:8]:[c:7]:[c:25]:[c:24]:2.[C:1]=[C:2](-[C:4](=[O:5])-[N:6])-[C:17](=[O:16])-[O:18]	1	50402
+[O:1]-[P:2](=[O:3])(-[C:4](=[O:5])-[c:6])-[c:7]>>[C:4](=[O:5])(-[c:6])-[Cl:10].[O:1]-[P:2](-[O:3]-[C:9]-[C:8])-[c:7]	1	50420
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+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[N:3]-[N:4]-[C:5](-[c:6])=[O:7].[c:1]-[C:2](=[O:8])-[O:9]	1	50429
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[n:7]:[c:8](-[c:9]):[n:10]:[c:11]:2-[O:12]>>[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[c:6]:1-[N:7]-[C:8](-[c:9])=[O:13])-[C:11](-[N:10])=[O:12]	1	50479
+[c:1]:[c:3]:1:[c:2]:[n:9]:[c:8]:[c:5](:[n:4]:1)-[N:6]-[C:7]>>[c:1]:[c:3]:1:[c:2]:[n:9]:[c:8]:[c:5](:[n:4]:1)-[Br:10].[N:6]-[C:7]	1	50496
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[n:6](:[c:7]:[c:8]):[c:10](:[c:9]):[c:11]:1>>[c:1]:1:[c:2]:[n:6](:[c:7]:[c:8]):[c:10](:[c:9]):[c:11]:1.[c:3](:[c:4])(:[c:5])-[I:12]	1	50498
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[n:6]:[c:7](-[c:8]):[o:9]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[N:5]-[N:6]-[C:7](-[c:8])=[O:9])=[O:10]	1	50529
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+[N:1]-[C:10](-[N:7](-[n:6]:1:[c:2]:[c:3]:[c:4]:[c:5]:1)-[C:8]-[c:9])=[O:11]>>[N:1]-[C:10](-[N:7]-[n:6]:1:[c:2]:[c:3]:[c:4]:[c:5]:1)=[O:11].[C:8](-[c:9])-[Cl:12]	1	50586
+[N:1]-[c:2]>>[n:1]:1(-[c:2]):[c:4](-[C:3]):[c:5]:[c:6]:[c:7]:1-[C:8]	1	50589
+[N:1]-[C:2](-[C:3]-[C:4]=[O:5])=[N:6]-[c:7]>>[N:6]-[c:7].[N:1]=[C:2](-[C:3]-[C:4]=[O:5])-[S:15]-[c:14]:1:[c:8]:[c:9]:[c:11](-[Cl:10]):[c:12]:[c:13]:1	1	50591
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[O:7])-[c:8]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](=[O:7])-[c:8]	1	50603
+[O:1]-[C:2](-[c:3]:1:[c:4](-[C:5]):[n:6](-[c:7]):[n:8]:[n:9]:1)=[O:10]>>[O:1]-[C:2](-[C:3]-[C:4](-[C:5])=[O:11])=[O:10].[N:6](-[c:7])=[N+:8]=[N-:9]	1	50606
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[C:6]#[N:7]):[c:8]:[c:9]:1>>[C:1]-[C:2]-1=[C:3]-[N+:4](-[C:5](=[C:6]=[N-:7])-[C:8]=[C:9]-1)=[O:10]	1	50608
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[I:7].[c:1]:[c:2](:[c:6])-[O:11]-[B:9](-[O:8])-[O:10]	1	50625
+[n:1]:[c:8](:[c:2]):[c:4](:[c:3])-[c:5](:[c:6]):[c:7]>>[n:1]:[c:8](:[c:2]):[c:4](:[c:3])-[I:9].[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12]	1	50628
+[N:1]-[C:2]=[C:3](-[N:4])-[C:5]=[C:6]>>[N:1]-[C:2]=[C:3](-[N+:4](=[O:7])-[O-:8])-[C:5]=[C:6]	1	50635
+[C:1]=[C:2]-[C:3](-[N:4])=[C:5](-[O:6])-[N:7]>>[C:1]=[C:2]-[C:3](-[N+:4](=[O:8])-[O-:9])=[C:5](-[O:6])-[N:7]	1	50642
+[C:1]=[C:2]-[C:3](-[N:4])=[C:5](-[S:6])-[N:7]>>[C:1]=[C:2]-[C:3](-[N+:4](=[O:8])-[O-:9])=[C:5](-[S:6])-[N:7]	1	50643
+[C:1]=[C:2]-[C:3](-[N:4]-[S:5](=[O:6])(=[O:7])-[C:8])=[C:9](-[S:10])-[N:11]>>[C:1]=[C:2]-[C:3](-[N:4])=[C:9](-[S:10])-[N:11].[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:12]	1	50644
+[c:1]-[N:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Cl:7].[c:1]-[N:2]	1	50677
+[c:1]:1:[c:2]:[c:3]:[c:4](-[N:5]-[c:6]:2:[n:7]:[c:8]:[n:9]:[c:10]:[c:11]:2):[c:12]:[c:13]:1>>[c:6]:1(:[n:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Cl:14].[c:1]:1:[c:2]:[c:3]:[c:12]:[c:4](-[N:5]):[c:13]:1	1	50682
+[c:1]-1:[c:2]-[N:3]-[C:4](=[O:5])-[N:6]-1-[c:7]>>[c:1](:[c:2]-[N:3])-[N:6]-[c:7].[C:4](=[O:5])(-[n:16]:1:[c:12]:[n:13]:[c:14]:[c:15]:1)-[n:17]:2:[c:8]:[c:9]:[n:10]:[c:11]:2	1	50693
+[C:1]-[C:2]=[C:3](-[C:4]-[O:5]-[c:6])-[C:7]>>[O:5]-[c:6].[C:1]-[C:2]=[C:3](-[C:4]-[Cl:8])-[C:7]	1	50698
+[c:1](:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]):[c:8]>>[c:4](:[c:5])(:[c:6])-[O:13]-[B:11](-[O:10])-[O:12].[c:1](:[n:2]:[c:3](:[c:7])-[Br:9]):[c:8]	1	50716
+[c:1]-[c:2]:1:[c:3](-[C:4]):[c:5]:[c:6]:[c:7](-[C:8]#[N:9]):[n:10]:1>>[c:1]-[C:2]-1=[C:3](-[C:4])-[C:5]=[C:6]-[C:7](=[C:8]=[N-:9])-[N+:10]-1=[O:11]	1	50723
+[n:1]:1:[c:2](:[c:3]):[c:4]:[c:5]:[c:6]:1-[c:7](:[c:8]):[c:9]>>[c:7](:[c:8])(:[c:9])-[I:10].[n:1]:1:[c:2](:[c:3]):[c:4]:[c:5]:[c:6]:1	1	50747
+[n:1]:1:[c:2](:[c:3]):[c:4]:[c:5]:[c:6]:1-[C:7]#[C:8]>>[C:7]#[C:8].[n:1]:1:[c:2](:[c:3]):[c:4]:[c:5]:[c:6]:1-[I:9]	1	50754
+[C:1]-[C:2]=[C:3](-[O:4])-[C:5](=[O:6])-[N:7]-[c:8]>>[N:7]-[c:8].[C:1]-[C:2]=[C:3](-[O:4])-[C:5](=[O:6])-[O:9]	1	50769
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:7](-[N:6])=[O:8]>>[C:3](=[O:4])(-[N:5]-[C:7](-[N:6])=[O:8])-[Cl:9].[c:1]-[N:2]	1	50783
+[C:1]=[C:2]-[C:3]-[S:4]-[c:5]>>[C:1]=[C:2]-[C:3]-[Cl:6].[S:4]-[c:5]	1	50799
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+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[c:6]):[n:7]:[c:8](-[c:9]:2:[c:10]:[n:11]:[n:12]:[c:13]:2):[s:14]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[c:6])=[O:15])-[Cl:16].[N:7]-[C:8](-[c:9]:1:[c:10]:[n:11]:[n:12]:[c:13]:1)=[S:14]	1	50826
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+[c:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[N:3](=[N+:5]=[N-:4])-[P:7](=[O:6])(-[O:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[O:15]-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2.[c:1]-[C:2]-[O:22]	1	50867
+[c:1]-[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:1]-[C:2]-[Br:8].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:9]	1	50871
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+[O:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1)-[c:8]>>[O:1]=[C:2](-[c:8])-[Cl:9].[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1	1	50971
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[c:1]-[C:2](-[N:8]-[c:4](:[c:5](-[N:3]):[c:6]):[c:7])=[O:9]	1	50972
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+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]=[O:6]>>[C:1]-[N:2]-[C:5]=[O:6].[C:3](-[c:4])-[O:7]	1	51009
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+[c:1]:[c:3](:[n:2])-[N:4]-[C:5](=[O:6])-[c:7]>>[C:5](=[O:6])(-[c:7])-[O:10]-[C:9](=[O:8])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1.[c:1]:[c:3](:[n:2])-[N:4]	1	51129
+[c:1]:[c:2]-1:[c:3](:[c:4])-[N:5](-[C:6]-[c:7])-[C:8](=[O:9])-[c:10](:[c:11]):[c:13]-1:[c:12]>>[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:8](-[O:9]):[c:10](:[c:11]):[c:13]:1:[c:12].[C:6](-[c:7])-[Br:14]	1	51139
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+[c:1]-[c:2]:1:[c:3]:[n:4]:2:[c:5](:[n:6]:1):[s:7]:[c:8](:[c:9]:2:[c:10]):[c:11]>>[n:4]:1:[c:5](-[N:6]):[s:7]:[c:8](:[c:9]:1:[c:10]):[c:11].[c:1]-[C:2](-[C:3]-[Br:13])=[O:12]	1	51213
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+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[c:6](:[n:7]:[c:8](:[c:9]):[c:10]):[c:11]):[n:12]:1:[c:13]:[c:14]>>[c:6](:[n:7]:[c:8](:[c:9]):[c:10])(:[c:11])-[Cl:15].[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:12]:1:[c:13]:[c:14]	1	51440
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:[c:7]:1-[O:8]-[c:9]>>[O:8]-[c:9].[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:[c:7]:1-[Cl:10]	1	51448
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+[C:1](-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1)=[O:8]>>[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1.[C:1](-[C:2]-[Br:9])=[O:8]	1	51493
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+[C:1]-[C:2](-[C:3](-[N:4])=[O:7])-[O:6]-[C:5]>>[C:1]-[C:2](-[C:3](-[N:4])=[O:7])-[Cl:8].[C:5]-[O:6]	1	52287
+[C:1]-[C:2](=[C:3](-[C:4]=[O:5])-[N:6])-[C:7]>>[C:1]-[C:2](=[C:3](-[C:4](-[O:5]-[C:12]-[C:8])-[O:11]-[C:10]-[C:9])-[N:6])-[C:7]	1	52301
+[C:1]-[C:2](=[C:3](-[C:4]-[O:5])-[N:6])-[C:7]>>[C:1]-[C:2](=[C:3](-[C:4]=[O:5])-[N:6])-[C:7]	1	52302
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+[N:1]-[C:2]-[C:3]-[C:4]-[O:5]>>[N:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:7]-[C:6])=[O:8]	1	52322
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+[N:1]-[C:2]-[C:3]-[C:4]-[C:5]-[N:6]>>[N:1]-[C:2](-[C:3]-[C:4]-[C:5](-[N:6])=[O:8])=[O:7]	1	52348
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+[C:1]-[C:2](-[N:3]=[N+:16]=[N-:15])-[C:4](=[C:5]-[C:6])-[C:7]>>[C:1]-[C:2](-[C:4](=[C:5]-[C:6])-[C:7])-[O:14].[N:3](=[N+:16]=[N-:15])-[P:18](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(=[O:17])-[c:19]:2:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:2	1	52443
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+[n:1]:[c:2]:[c:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1>>[n:1]:[c:2]:[c:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1-[C:14]-[O:13]-[C:12]-[c:11]:2:[c:10]:[c:9]:[c:8]:[c:16]:[c:15]:2	1	52635
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+[O:1]-[C:2]-[C:3](=[C:4])-[C:5]>>[O:1]=[C:2](-[C:3](=[C:4])-[C:5])-[O:7]-[C:6]	1	52689
+[O:1]=[C:2](-[C:3](=[C:4]-[c:5])-[C:6])-[O:7]>>[O:1]=[C:2](-[C:3](-[C:4](-[c:5])-[O:8])-[C:6])-[O:7]	1	52690
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+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:2:[c:6]:1:[n:7]:[c:8](:[c:9]):[c:11]:2:[c:10]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:[c:6]:1-[N:7]-[c:8](:[c:9]):[c:11](:[c:10])-[Cl:12]	1	52745
+[c:1]-[N:2](-[C:3](=[O:4])-[C:5]=[C:6])-[c:7]>>[c:1]-[N:2]-[c:7].[C:3](=[O:4])(-[C:5]=[C:6])-[O:10]-[C:9]-[C:8]	1	52780
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6])-[C:7]=[O:8]>>[C:5](-[C:6])-[O:9].[N:1]-[C:2](=[O:3])-[N:4]-[C:7]=[O:8]	1	52798
+[C:1]-[C:2]-[C:3](-[c:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[C:1]-[C:2]=[C:3](-[c:4])-[c:5](:[c:6]:[n:7]):[n:8]	1	52800
+[C:1]-[C:2]>>[C:1](-[C:2])-[Br:3]	1	52806
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+[O:1]=[C:2](-[N:3]-[c:4])-[N:5]-[c:6](:[c:7]:[n:8]):[c:10]:[n:9]>>[O:1]=[C:2](-[c:6](:[c:7]:[n:8]):[c:10]:[n:9])-[O:11].[N:5](=[N+:13]=[N-:12])-[P:14](=[O:15])(-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2.[N:3]-[c:4]	1	52830
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:8]:[c:10]:1:[n:9]):[c:7]>>[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:8]:[c:10]:1:[n:9]):[c:7])-[Cl:11].[c:1]-[N:2]	1	52835
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+[n:1]:[c:3](:[n:2]):[c:4]-[N:5]-[c:6]>>[n:1]:[c:3](:[n:2]):[c:4]-[N:5](-[c:6])-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:15]:[c:14]:1	1	52860
+[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5](:[c:6]):[c:7]:1>>[c:1]:1:[c:2](:[c:3]):[n:4](:[c:5](:[c:6]):[c:7]:1)-[C:9](-[C:8])=[O:10]	1	52863
+[O:1]=[C:2](-[N:3]-[c:4])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:7])-[O-:8].[O:1]=[C:2]=[N:3]-[c:4]	1	52885
+[C:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[n:6]:[c:7](:[c:8]):[c:10]:1:[c:9]>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[N:6]-[c:7](:[c:8]):[c:10]:[c:9])=[O:11]	1	52892
+[O:1]=[C:2]-1-[C:3]-[C:4]-[C:5]-[N:6]-1-[c:7]>>[O:1]=[C:2](-[C:3]-[C:4]-[C:5]-[O:8])-[N:6]-[c:7]	1	52893
+[n:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:1>>[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12].[n:1]:1:[n:2]:[c:3]:[c:4](:[c:8]:1)-[I:9]	1	52894
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+[c:1]-[C:2]-1=[N:3]-[N:4](-[c:5])-[C:6](-[C:7]-1)=[O:8]>>[N:3]-[N:4]-[c:5].[c:1]-[C:2](-[C:7]-[C:6](=[O:8])-[O:11]-[C:10]-[C:9])=[O:12]	1	52903
+[c:1]:[c:2]:[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1>>[c:1]:[c:2](:[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)-[F:8]	1	52907
+[S:1]-[c:2]>>[S:1](-[c:2])-[C:3]	1	52912
+[c:1]:[c:6]:1:[c:2]:[c:3]:[n:4]:[n:5]:1>>[c:1]:[c:6]:1:[c:2]:[c:3]:[n:4](:[n:5]:1)-[C:13]-[c:12]:2:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:15]:[c:14]:2	1	52916
+[C:1]-[C:7](-[N:5](-[c:3](:[c:2]):[n:4])-[C:6])=[O:8]>>[C:1]-[C:7](=[O:8])-[O:10]-[C:9].[c:2]:[c:3](:[n:4])-[N:5]-[C:6]	1	52918
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:5](=[O:4])-[O:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	52944
+[N:1]#[C:2]-[N:3]=[C:4](-[N:5]-[c:6]:[c:8]:[n:7])-[N:9]-[C:10]>>[N:9]-[C:10].[N:1]#[C:2]-[N:3]-[C:4](=[N:5]-[c:6]:[c:8]:[n:7])-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11]:[c:17]:[c:16]:1	1	52945
+[c:1]-[O:2]>>[c:1]-[O:2]-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:8]:[c:7]:1	1	52972
+[N:1]-[C:2]-[c:3](:[c:4]):[s:5]>>[N:1]#[C:2]-[c:3](:[c:4]):[s:5]	1	52989
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+[C:1]-[C:2]-[N:3]>>[N:3](=[N+:20]=[N-:19])-[P:21](-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1)(-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2)=[O:22].[C:1]-[C:2]-[C:17](=[O:16])-[O:18]	1	52993
+[c:1]-[C:2]-1=[N:3]-[N:4](-[N:5])-[C:6](=[O:7])-[c:8](:[c:9]):[c:11]-1:[c:10]>>[N:5]-[O:18]-[P:17](=[O:16])(-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1)-[c:25]:2:[c:15]:[c:14]:[c:13]:[c:12]:[c:26]:2.[c:1]-[c:2]:1:[n:3]:[n:4]:[c:6](-[O:7]):[c:8](:[c:9]):[c:11]:1:[c:10]	1	52997
+[C:1]-[C:2]-[Br:3]>>[C:1]-[C:2]-[O:24].[Br:3]-[P:5](-[Br:4])(-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	52999
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6](:[n:7]):[c:8]>>[C:5](-[c:6](:[n:7]):[c:8])=[O:9].[O:1]-[C:2](=[O:3])-[C:4]=[P:14](-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:28]:[c:27]:1)(-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2)-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:3	1	53003
+[N:1]-[C:2]-[C:3](=[C:4]-[C:5])-[N:6]>>[N:1]-[C:2](-[C:3](=[C:4]-[C:5])-[N:6])-[S:8](=[O:7])(=[O:9])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	53012
+[C:1](=[C:2]-[C:3])(-[c:4](:[c:5]):[n:6])-[O:15]-[S:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[C:7]):[c:17]:[c:16]:1)(=[O:13])=[O:14]>>[C:1](-[C:2]-[C:3])(-[c:4](:[c:5]):[n:6])=[O:15].[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11](-[S:12](=[O:13])(=[O:14])-[O:26]-[S:23](-[c:22]:2:[c:21]:[c:20]:[c:19](-[C:18]):[c:28]:[c:27]:2)(=[O:24])=[O:25]):[c:16]:[c:17]:1	1	53034
+[O:1]=[C:2]-1-[C:3]-[C:4]-[N:5]-1-[C:6](=[O:7])-[N:8]-[C:9]>>[O:1]=[C:2]-1-[C:3]-[C:4]-[N:5]-1.[C:6](=[O:7])=[N:8]-[C:9]	1	53045
+[C:1]-[C:2]=[C:3]-[c:4](:[c:5]):[s:6]>>[C:3](-[c:4](:[c:5]):[s:6])=[O:7].[C:1]-[C:2]-[P+:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:26]:[c:25]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	1	53050
+[C:1]-[C:2]=[C:3]-[c:4]:[c:5]:[n:6]>>[C:3](-[c:4]:[c:5]:[n:6])=[O:18].[C:1]-[C:2]-[P+:23](-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)(-[c:22]:2:[c:16]:[c:17]:[c:19]:[c:20]:[c:21]:2)-[c:24]:3:[c:9]:[c:8]:[c:7]:[c:26]:[c:25]:3	1	53051
+[n:1]:[c:2](-[C:3]=[C:4]-[c:5](:[n:6]):[n:7]):[n:8]>>[n:1]:[c:2](-[C:3]-[P+:10](-[c:9]:1:[c:23]:[c:24]:[c:26]:[c:27]:[c:28]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:3):[n:8].[C:4](-[c:5](:[n:6]):[n:7])=[O:25]	1	53055
+[C:1]-[O:2]>>[C:1]-[O:2]-[Si:15](-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)(-[C:12](-[C:11])(-[C:13])-[C:14])-[c:16]:2:[c:4]:[c:3]:[c:19]:[c:18]:[c:17]:2	1	53068
+[C:1]-[O:3]>>[C:1]-[O:3]-[Si:8](-[C:5](-[C:4])(-[C:6])-[C:7])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:2]:[c:19]:[c:18]:[c:17]:[c:16]:2	1	53071
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[C:6](=[O:7])-[O:10]):[n:8]:[o:9]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5](-[C:6](=[O:7])-[O:10])=[N:8]-[O:9])-[F:11]	1	53089
+[c:1]:1:[c:2]:[o:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[o:3]:[c:4]:[n+:5]:1-[O-:6]	1	53091
+[O:1]-[C:2]-1=[C:3](-[C:4]-[c:5])-[C:6](=[O:7])-[N:8]-[C:9]=[C:10]-1>>[C:4](-[c:5])-[Br:11].[O:1]-[C:2]-1=[C:3]-[C:6](=[O:7])-[N:8]-[C:9]=[C:10]-1	1	53098
+[C:1]-[C:2]-1=[N:3]-[C:4](-[C:5])=[C:6]-[C:7](=[O:8])-[N:9]-1-[C:10]-[c:11]>>[C:10](-[c:11])-[Br:12].[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:[c:7](-[O:8]):[n:9]:1	1	53099
+[n:1]:[c:9]:[c:4](:[c:2]:[s:3])-[C:5](-[C:6])-[C:8]-[C:7]>>[n:1]:[c:9]:[c:4](:[c:2]:[s:3])-[C:5](-[C:6])=[C:8]-[C:7]	1	53112
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6]-[N:7])-[C:8]=[O:9]>>[C:3](=[O:4])(-[C:5](=[C:6]-[N:7])-[C:8]=[O:9])-[O:10].[c:1]-[N:2]	1	53118
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[o:9]:1):[c:8]):[c:10]>>[c:1]:[c:2](:[c:10])-[I:11].[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[o:9]:1):[c:8]	1	53119
+[c:1]-[C:2]-[C:3]-[C:4]-[O:5]>>[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:8]-[C:7]-[C:6]	1	53142
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5])-[c:6]:[c:7]:[n:8]>>[O:1]-[C:2](=[O:3])-[C:4](=[O:5])-[c:6]:[c:7]:[n:8]	1	53151
+[C:1]-1-[C:2]-[C:3](=[O:4])-[C:5](-[c:6])-[C:7]-1=[O:8]>>[C:1]-1-[C:2]-[C:3](-[O:4]-[C:9])=[C:5](-[c:6])-[C:7]-1=[O:8]	1	53178
+[C:1]-[C:2]-[C:3]-[c:4](:[c:5]):[s:6]>>[C:1]-[C:2]=[C:3]-[c:4](:[c:5]):[s:6]	1	53191
+[n:1]:[c:2](-[N:3]):[n:4]>>[n:1]:[c:2](-[N:3]=[N+:6]=[N-:5]):[n:4]	1	53231
+[N:1]-[C:6](-[N:5]-[c:4](:[c:2]):[n:3])=[O:10]>>[N:1]-[C:6](-[N:5](-[c:4](:[c:2]):[n:3])-[C:7]-[c:16]:1:[c:8]:[c:9]:[c:13](-[O:12]-[C:11]):[c:14]:[c:15]:1)=[O:10]	1	53234
+[c:1](-[C:2]-[N:3]-[c:4]):[c:5]:[o:6]>>[N:3]-[c:4].[c:1](-[C:2]=[O:7]):[c:5]:[o:6]	1	53235
+[C:1]-[C:2](-[c:3](:[c:4]):[n:5])-[n:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:1>>[C:1]-[C:2](-[c:3](:[c:4]):[n:5])-[Br:11].[n:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:1	1	53257
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:4]-[C:3]	1	53268
+[c:1]-[S:2](=[O:3])(=[O:4])-[C:5]-[c:6](:[c:7]:[o:8]):[n:9]>>[C:5](-[c:6](:[c:7]:[o:8]):[n:9])-[Cl:10].[c:1]-[S:2](=[O:3])-[O:4]	1	53288
+[c:1]:1:[n:2]:[n:3]:2-[C:4]-[C:5]-[C:6]-[N:7]-[c:8]:2:[c:9]:1>>[c:1]:1:[n:2]:[n:3]:2:[c:4]:[c:5]:[c:6]:[n:7]:[c:8]:2:[c:9]:1	1	53317
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6](:[c:7]):[n:8])-[O:10]):[c:9]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6](:[c:7]):[n:8])=[O:10]):[c:9]:1	1	53318
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:2-[C:7](=[O:8])-[N:9]-[C:10](-[c:11])=[N:12]-[n:13]:1:2>>[C:1]-[C:2](-[N:3]-[C:4](-[C:5])-[c:6]:1:[c:7](-[O:8]):[n:9]:[c:10](-[c:11]):[n:12]:[n:13]:1)=[O:14]	1	53322
+[c:1]-[C:2](-[N:3]-[c:4])-[C:5]-1=[N:6]-[N:7](-[c:8](:[n:9]):[n:10])-[C:11](=[O:12])-[N:13]-1>>[c:1]-[C:2](=[N:3]-[c:4])-[C:5](=[N:13]-[C:11](=[O:12])-[O:15]-[C:14])-[S:16]-[C:17].[N:6]-[N:7]-[c:8](:[n:9]):[n:10]	1	53330
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[O:7]):[s:6]>>[c:1]:[c:2](-[N:3]):[s:6].[C:4](=[O:5])(-[O:7])-[Cl:8]	1	53332
+[o:1]:[c:2](-[c:3](:[c:4]:[c:5]):[c:7]:[c:6]):[c:8]>>[c:4](:[c:5]):[c:30](:[c:7]:[c:6])-[c:29]:1:[c:28]:[c:27]:2:[c:26]:[c:24](:[c:23]:[c:22](-[C:20](-[O:19]-[C:18])=[O:21]):[c:32]:2:[o:31]:1)-[F:25].[o:1]:[c:2](-[c:3]:1:[c:15]:[c:14]:[c:13](-[C:12]-[N:10](-[C:9])-[C:11]):[c:17]:[c:16]:1):[c:8]	1	53340
+[c:1]:1:[c:2]:[c:3](-[C:4]):[c:5]:[c:6]:[c:7]:1>>[c:1]:1:[c:2]:[c:18](-[C:17]-[N:15](-[C:14])-[C:16]):[c:19]:[c:6]:[c:7]:1.[c:3]:1(-[C:4]):[c:5]:[c:13]:[c:10](-[C:9]#[C:8]):[c:11]:[c:12]:1	1	53343
+[c:1]-[N:2](-[C:3]-[c:4])-[S:5]>>[C:3](-[c:4])-[Cl:6].[c:1]-[N:2]-[S:5]	1	53345
+[C:1](=[N:2])-[N:4]-[C:3]>>[C:1](=[N:2])-[N:4](-[C:3])-[C:6](-[C:5])=[O:7]	1	53365
+[n:1]:[c:2](-[C:3]):[c:4]>>[n:1]:[c:2](-[C:3]-[I:5]):[c:4]	1	53373
+[n:1]:[c:2](-[C:3]-[O:5]):[n:4]>>[n:1]:[c:2](-[C:3]=[O:5]):[n:4]	1	53379
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:5](-[C:4]-[C:3])=[O:6]	1	53381
+[C:1]=[N:2]-[C:3]-[C:4]>>[C:1]=[N:2]-[C:3](-[C:4])=[O:5]	1	53398
+[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[C:6]-2=[C:7](-[C:8](=[O:9])-[N:10](-[c:11](:[c:12]):[c:13])-[C:14]=[C:15]-2)-[C:16]=[N:17]>>[c:11](:[c:12])(:[c:13])-[B:19](-[O:18])-[O:20].[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[c:6]:2:[c:7](:[c:8](-[O:9]):[n:10]:[c:14]:[c:15]:2)-[C:16]=[N:17]	1	53406
+[s:1]:[c:2]:[c:3]-[C:4]-[c:5](:[c:6]):[c:7]>>[s:1]:[c:2]:[c:3]-[C:4]-[Br:8].[c:5](:[c:6])(:[c:7])-[B:10](-[O:9])-[O:11]	1	53419
+[c:1]:1:[n:2]:[n:3]:2:[c:4](-[C:5]):[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:1>>[c:1]:1:[n:2]:[n:3]:[c:8](-[N:7]-[N:6]-[C:4](-[C:5])=[O:11]):[n:9]:[c:10]:1	1	53435
+[n:1]:[c:3]:[c:2]-[N:4]>>[n:1]:[c:3]:[c:2]-[N:4]-[C:6](-[C:5])=[O:7]	1	53443
+[n:1]:1:[c:2]:[c:3]:[c:4]:2:[c:5]:1:[c:6](-[O:7]):[c:8](-[C:9]#[N:10]):[c:11](-[O:12]):[n:13]:2>>[n:1]:1:[c:2]:[c:3]:[c:4](:[c:5]:1-[C:6](=[O:7])-[O:16]-[C:15]-[C:14])-[N:13]-[C:11](-[C:8]-[C:9]#[N:10])=[O:12]	1	53444
+[C:1]-1-[C:2]-[O:3]-[C:4]-1>>[C:1](-[C:2]-[O:5])-[C:4]-[O:3]	1	53458
+[C:1](-[C:2]-[C:3])(=[O:4])-[O:5]>>[C:1](-[C:2](-[C:3])-[C:6]#[N:7])(=[O:4])-[O:5]	1	53461
+[C:1](=[O:2])(-[C:3]-[N:4])-[O:5]>>[C:1]-1(-[C:3]-[N:4]-[C:7](=[O:2])-[N:6]-1)=[O:5]	1	53469
+[c:1]-[N:2](-[C:3]-[c:4])-[n:5](:[c:6]):[c:7]>>[C:3](-[c:4])-[Br:8].[c:1]-[N:2]-[n:5](:[c:6]):[c:7]	1	53473
+[c:1]-[C:2]-1-[C:3]-[C:4]-[C:5](-[c:6])-[N:7]-1-[c:8]>>[N:7]-[c:8].[c:1]-[C:2](-[C:3]-[C:4]-[C:5](-[c:6])-[O:14]-[S:15](-[C:16])(=[O:17])=[O:18])-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12]	1	53484
+[C:1](=[C:2](-[O:3]-[c:4])-[c:5])-[S:6]>>[O:3]-[c:4].[C:1](=[C:2](-[c:5])-[Br:7])-[S:6]	1	53490
+[C:1]#[C:2]-[c:3](:[n:4]:[c:5](:[c:6]):[c:7]):[c:8]>>[C:1]#[C:2].[c:3](:[n:4]:[c:5](:[c:6]):[c:7])(:[c:8])-[Br:9]	1	53500
+[C:1]#[C:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]>>[C:1]#[C:2].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[I:8]	1	53501
+[C:1]#[C:2]-[C:3]-[c:4]>>[C:1]#[C:2]-[C:3](-[c:4])-[O:5]	1	53508
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]-[O:7]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]=[O:7]	1	53524
+[c:1]:1(:[c:2]:[c:3](-[C:4]):[c:5](-[c:6]):[n:7]:[n:8]:1)-[O:9]>>[C:1]-1(-[C:2]-[C:3](-[C:4])-[C:5](-[c:6])=[N:7]-[N:8]-1)=[O:9]	1	53536
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8])-[c:9]>>[C:1]-[N:2]-[c:9].[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:10]	1	53555
+[c:1]:[c:3](:[n:2])-[c:4]:1:[n:5]:[c:6](-[c:7]):[n:8]:[o:9]:1>>[N:5]-[C:6](-[c:7])=[N:8]-[O:9].[c:1]:[c:3](:[n:2])-[C:4](=[O:10])-[O:11]	1	53566
+[C:1]-[c:2]:1:[c:3](-[c:4]):[o:5]:[c:6](-[C:7]):[n:8]:1>>[C:1]-[C:2](-[C:3](-[c:4])=[O:5])-[N:8]-[C:6](-[C:7])=[O:9]	1	53569
+[C:1]=[C:2](-[C:3])-[c:4]>>[C:2](-[C:3])(-[c:4])=[O:17].[C:1]-[P+:22](-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)(-[c:21]:2:[c:15]:[c:16]:[c:18]:[c:19]:[c:20]:2)-[c:23]:3:[c:8]:[c:7]:[c:6]:[c:5]:[c:24]:3	1	53614
+[C:1]-1-[C:2]-[O:3]-[C:4](-[c:5])=[N:6]-1>>[C:1](-[C:2]-[O:3])-[N:6]-[C:4](-[c:5])=[O:7]	1	53639
+[C:1]-[C:2](-[C:3]#[N:4])(-[C:5]-[n:6](:[c:7]):[n:8])-[c:9]>>[C:1]-[C:2](-[C:3]#[N:4])-[c:9].[C:5](-[n:6](:[c:7]):[n:8])-[Cl:10]	1	53672
+[C:1](-[C:2]-[C:3])=[O:4]>>[C:1](-[C:2](-[C:3])-[C:8](-[O:7]-[C:6]-[C:5])=[O:9])=[O:4]	1	53675
+[O:1]-[N:2]-[C:3](-[C:4])-[c:5]>>[O:1]-[N:2]=[C:3](-[C:4])-[c:5]	1	53691
+[c:1]-[C:2](-[C:3])(-[C:4](=[O:5])-[N:6])-[C:8](-[c:7])=[O:9]>>[c:1]-[C:2](-[C:3])-[C:4](=[O:5])-[N:6].[c:7]-[C:8](=[O:9])-[O:10]-[C:11]	1	53696
+[c:1]-[N:2]-[c:3]>>[c:1]-[N:2](-[c:3])-[C:5](-[C:4])=[O:6]	1	53706
+[C:1](=[O:2])-[C:3]-[n:4]:1:[c:5]:[n:6]:[c:7]:[n:8]:1>>[C:1](=[O:2])-[C:3]-[Br:9].[n:4]:1:[c:5]:[n:6]:[c:7]:[n:8]:1	1	53720
+[c:1]-[C:2]-1=[C:3](-[c:4])-[C:5](=[O:6])-[O:7]-[C:8]-1>>[C:3](-[c:4])-[C:5](=[O:6])-[O:7].[c:1]-[C:2](-[C:8]-[Br:10])=[O:9]	1	53721
+[c:1]-[C:2](-[O:3])-[C:4]-[C:5](-[C:6]-[O:7])-[C:8]-[O:9]>>[c:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6](=[O:7])-[O:12]-[C:11]-[C:10])-[C:8](=[O:9])-[O:13]-[C:14]-[C:15]	1	53722
+[c:1]:1(:[n:2]:[c:3](-[C:4]):[n:5]:[c:6]:2:[c:7]:1:[s:8]:[c:9]:[c:10]:2)-[O:11]>>[C:1](-[N:2])(-[c:7]:1:[c:6](-[N:5]-[C:3](-[C:4])=[O:12]):[c:10]:[c:9]:[s:8]:1)=[O:11]	1	53742
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[O:7]-[C:6]):[c:15]:[c:14]:1)-[C:13]	1	53750
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10])-[Cl:11].[C:1]-[O:2]	1	53752
+[c:1]-[c:2]:1:[n:3]:[c:4]:[n:5]:[n:6]:1-[c:7]>>[N:5]-[N:6]-[c:7].[c:1]-[C:2](-[N:3]=[C:4]-[N:9](-[C:8])-[C:10])=[O:11]	1	53756
+[c:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6](-[C:7]):[o:8]:1>>[c:1]-[C:2](-[N:3]-[C:4](-[C:5])-[C:6](-[C:7])=[O:9])=[O:8]	1	53759
+[N:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:[c:7]:1>>[N+:1](-[c:2]:1:[c:3]:[c:7]:[c:6]:[c:5]:[c:4]:1)(=[O:8])-[O-:9]	1	53761
+[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[O:7])-[c:6]>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:7])(-[c:6])-[O:8]	1	53783
+[c:1]:[c:2](-[N:3]-1-[C:4]-[C:5]-[C:6]-[C:7]-1=[O:8]):[n:9]>>[c:1]:[c:2](-[N:3]-[C:7](-[C:6]-[C:5]-[C:4]-[Cl:10])=[O:8]):[n:9]	1	53806
+[c:1]-[S:2]-[C:3](-[C:4])-[c:5]>>[C:3](-[C:4])(-[c:5])-[Cl:6].[c:1]-[S:2]	1	53830
+[N:1]-1-[C:2]-[C:3]-[C:4]-[C:5]-1=[O:6]>>[N:1]#[C:2]-[C:3]-[C:4]-[C:5](=[O:6])-[O:9]-[C:8]-[C:7]	1	53855
+[C:1](-[c:2](:[n:3]):[n:4])=[C:5](-[c:6])-[c:7]>>[C:1](-[c:2](:[n:3]):[n:4])-[C:5](-[c:6])(-[c:7])-[O:8]	1	53857
+[c:1]-[C:2](-[c:3](:[c:4]):[c:5])(-[c:6])-[O:7]>>[c:1]-[C:2](-[c:6])=[O:7].[c:3](:[c:4])(:[c:5])-[Mg:9]-[Br:8]	1	53869
+[c:1]:1:[c:2]:[c:3](-[n:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:2):[c:9]:[c:10]:[n:11]:1>>[c:1]:1:[c:2]:[c:3](:[c:9]:[c:10]:[n:11]:1)-[Cl:12].[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1	1	53870
+[c:1]-[C:2]=[C:3]-[n:4]:1:[c:5](:[c:6]:[c:8]:[c:9]:1):[c:7]>>[c:1]-[C:2](-[C:3]-[n:4]:1:[c:5](:[c:6]:[c:8]:[c:9]:1):[c:7])-[O:10]	1	53899
+[O:1]-[C:2](-[C:3](=[O:6])-[O:7])-[C:4]-[c:5]>>[O:1]-[C:2](-[C:3](=[O:6])-[O:7])=[C:4]-[c:5]	1	53903
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8](:[c:9](:[c:10]):[n:12]:1:2):[n:11]>>[C:1]-[C:2](-[N:3]-[N:4]-[c:5]:1:[c:6]:[n:7]:[c:8](:[c:9](:[c:10]):[n:12]:1):[n:11])=[O:13]	1	54004
+[c:1]-[N:2]-1-[C:3](=[O:4])-[C:5]-[C:6]-[C:7]-1=[O:8]>>[c:1]-[N:2]-[C:7](-[C:6]-[C:5]-[C:3](=[O:4])-[O:9])=[O:8]	1	54006
+[C:1]-[C:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[C:2](-[C:3](=[O:4])-[C:5])-[C:8](-[O:7]-[C:6])=[O:9]	1	54011
+[C:1](-[C:2](-[C:3])-[c:4])=[O:5]>>[C:1]-1-[C:2](-[C:3])(-[c:4])-[O:5]-1	1	54020
+[c:1]:[c:2]:1:[c:3](-[c:4]):[o:5]:[n:6]:[c:7]:1:[c:8]>>[c:1]:[c:2]:[c:7](-[N+:6](-[O-:5])=[O:11]):[c:8].[C:3](-[c:4])-[C:10]#[N:9]	1	54024
+[c:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[n:6]:[c:7](:[c:8]):[c:10]:1:[c:9]>>[c:1]-[C:2](-[c:10](:[c:7](-[N:6]-[C:4](-[C:3])=[O:5]):[c:8]):[c:9])=[O:11]	1	54026
+[c:1]:1(:[c:2](-[c:3]):[c:4](-[c:5]):[c:6]:[n:7]:[n:8]:1)-[O:9]>>[C:1]-1(-[C:2](-[c:3])=[C:4](-[c:5])-[C:6]=[N:7]-[N:8]-1-[C:16]-[c:15]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2)=[O:9]	1	54031
+[N:1]-[c:2].[c:3]-[C:4]-1=[N:5]-[O:6]-[C:7](=[O:8])-[N:9]-1>>[N+:1](-[c:2])(=[O:10])-[O-:11].[c:3]-[C:4]=1-[N:5]-[O:6]-[C:7](=[O:8])-[N:9]=1	1	54036
+[c:1]:[c:2](-[N:3]-1-[N:4]=[C:5]-[C:6]=[C:7]-[C:8]-1=[O:9]):[c:10]>>[c:1]:[c:2](:[c:10])-[Br:11].[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[O:9]	1	54041
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](-[O:3]-[C:7]-[C:8])-[O:6]-[C:5]-[C:4]	1	54042
+[n:1]:1:[c:2]:[c:3]:[c:4](-[c:5]):[c:6]:[c:7]:1-[O:8]>>[N+:1]-1(-[C:2]=[C:3]-[C:4](-[c:5])=[C:6]-[C:7]-1=[O:8])-[O-:9]	1	54075
+[c:1]:1(:[c:2]:[c:3](-[c:4]):[c:5]:[n:6]:[n:7]:1)-[O:8]>>[C:1]-1(-[C:2]=[C:3](-[c:4])-[C:5]=[N:6]-[N:7]-1-[C:15]-[c:14]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)=[O:8]	1	54076
+[c:1]-[c:2]:1:[c:3](-[O:4]):[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8]>>[c:1]-[C:2]-1=[C:3](-[O:4])-[c:5](:[c:6](:[c:7])-[S:9]-1=[O:10]):[c:8]	1	54077
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:6])-[C:7](-[c:8])-[C:9](-[C:10](=[O:11])-[O:12])=[C:13](-[C:14])-[N:15]-1>>[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:6])=[C:7]-[c:8])=[O:16].[C:9](-[C:10](=[O:11])-[O:12])=[C:13](-[C:14])-[N:15]	1	54078
+[O:1]-[C:2](=[O:3])-[C:4]-1-[C:5](=[O:6])-[c:7]:[c:9](:[c:8])-[C:10]-1-[c:11]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[c:7]:[c:9]:[c:8])=[C:10]-[c:11]	1	54079
+[C:1]=[C:2](-[C:3])-[C:4]-[O:5]>>[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[O:8]-[C:7]-[C:6]	1	54080
+[c:1]-[C:2]=[C:3]-[C:4](-[O:5])=[O:17]>>[C:3](-[C:4](-[O:5])=[O:17])=[P:23](-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)(-[c:22]:2:[c:15]:[c:16]:[c:19]:[c:20]:[c:21]:2)-[c:24]:3:[c:8]:[c:7]:[c:6]:[c:26]:[c:25]:3.[c:1]-[C:2]=[O:18]	1	54111
+[n:1]:[c:2](-[C:3]=[C:4]-[c:5]):[n:6]>>[C:4](-[c:5])=[O:7].[n:1]:[c:2](-[C:3]):[n:6]	1	54123
+[C:1](=[O:2])-[C:7](-[C:5](-[O:4]-[c:3])-[c:6])-[c:8]>>[C:5](-[c:6])=[O:9].[C:1](=[O:2])-[C:7]-[c:8].[c:3]-[O:4]	1	54139
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5]=[O:6])=[C:7]-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5]=[O:6].[C:7](-[c:8])=[O:9]	1	54142
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[C:6]-[P:7](=[O:8])(-[O:9])-[C:10]>>[P:7](=[O:8])(-[O:9])-[C:10].[O:1]-[C:2](=[O:3])-[C:4](-[C:5])=[C:6]	1	54165
+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[C:8]):[o:9]:1>>[n:1]:[c:2]:[c:3]-[C:4](-[N:5]-[N:6]-[C:7](-[C:8])=[O:9])=[O:10]	1	54167
+[C:1]-[C:2](-[O:3])=[C:4](-[c:5]:1:[n:6]:[c:7]:[c:8](-[C:9]):[o:10]:1)-[N:11]>>[C:1]-[C:2](-[O:3])=[C:4](-[C:5](-[N:6]-[C:7]-[C:8](-[C:9])=[O:12])=[O:10])-[N:11]	1	54188
+[C:1]-[N:2]>>[C:1]-[N:2]-[C:4]=[O:3]	1	54198
+[O:1]=[C:2]-1-[O:3]-[C:4]-[C:5](-[c:6]:[c:8]:[n:7])=[C:9]-1-[c:10]>>[O:1]=[C:2](-[O:3]-[C:4]-[C:5](-[c:6]:[c:8]:[n:7])=[O:11])-[C:9]-[c:10]	1	54201
+[c:1]-[N:2]-[C:3]>>[c:1]-[N:2](-[C:3])-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:10]:[c:9]:1	1	54216
+[c:1]:[c:2](:[c:3])-[C:5](-[N:4])-[C:6]>>[c:1]:[c:2]:[c:3].[N:4]-[C:5](-[C:6])=[O:7]	1	54252
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1>>[C:1]-[C:2]-[Br:8].[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1	1	54259
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[o:9]>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[o:9])-[Cl:10].[C:1]-[N:2]	1	54281
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]-[S:7]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])=[N:6]-[S:7]	1	54295
+[c:1]-[C:2]-[N:3]-1-[C:4]=[C:5]-[C:6]=[C:7]-[C:8]-1=[O:9]>>[c:1]-[C:2]-[Cl:10].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[O:9]	1	54317
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[c:6]):[n:7]:[c:8](-[c:9]):[n:10]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[c:6])=[O:11])=[N:10]-[O:12].[N:7]-[C:8]-[c:9]	1	54322
+[C:1](=[O:2])-[O:3].[c:4]-[O:5]>>[C:1](=[O:2])-[O:3]-[C:7](-[O:5]-[c:4])(-[C:6])-[C:8]	1	54326
+[n:1]:[c:2](-[N:3]):[c:4]>>[n:1]:[c:2](-[N:3](-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7](-[O:6]-[C:5]):[c:22]:[c:21]:1)-[C:12]-[c:13]:2:[c:14]:[c:15]:[c:16](-[O:17]-[C:18]):[c:19]:[c:20]:2):[c:4]	1	54328
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+[c:1]-[C:2](-[C:3]-[C:4]#[N:5])-[c:6]>>[c:1]-[C:2](=[C:3]-[C:4]#[N:5])-[c:6]	1	55134
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+[S:1]-[N:2](-[C:3])-[C:4]-[c:5]>>[C:4](-[c:5])-[Cl:6].[S:1]-[N:2]-[C:3]	1	55146
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+[c:1]:[c:2]:1:[c:3](-[O:4]):[n:5]:[c:6]:[c:7]:[c:8]:1:[c:9]>>[c:1]:[c:2]:1-[C:3](=[O:4])-[N:5](-[C:6]=[C:7]-[c:8]:1:[c:9])-[C:16]-[c:15]:2:[c:14]:[c:13]:[c:12](-[O:11]-[C:10]):[c:18]:[c:17]:2	1	55152
+[N:1]=[C:2](-[C:3]-[O:4])-[C:5]=[C:6]>>[N:1]=[C:2](-[C:3](=[O:4])-[O:8]-[C:7])-[C:5]=[C:6]	1	55155
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](:[c:6]:2:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:2:[n:12]:[c:13]:1-[O:14])-[Cl:15]>>[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[c:6]:2:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:2-[N:12](-[C:13]-1=[O:14])-[C:22]-[c:21]:3:[c:20]:[c:19]:[c:18](-[O:17]-[C:16]):[c:24]:[c:23]:3)-[Cl:15]	1	55156
+[N:1]#[C:2]-[c:3]:1:[c:4](:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:2:[n:11]:[c:12]:1-[O:13])-[Cl:14]>>[N:1]#[C:2]-[C:3]-1=[C:4](-[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:2-[N:11](-[C:12]-1=[O:13])-[C:21]-[c:20]:3:[c:19]:[c:18]:[c:17](-[O:16]-[C:15]):[c:23]:[c:22]:3)-[Cl:14]	1	55157
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+[C:1]=[C:2]-[C:3](=[O:4])-[c:5]>>[C:1]=[C:2]-[C:3](-[O:4])-[c:5]	1	55169
+[N:1]-[C:2]=[C:3](-[C:4]-[O:7])-[C:5]=[O:6]>>[N:1]-[C:2]=[C:3](-[C:4](-[O:7])=[O:8])-[C:5]=[O:6]	1	55170
+[N:1]-[C:2]=[C:3](-[C:4]=[O:7])-[C:5]=[O:6]>>[N:1]-[C:2]=[C:3](-[C:4]-[O:7])-[C:5]=[O:6]	1	55171
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[c:6]:2:[c:7]:[s:8]:[c:9](-[N:10]):[n:11]:2>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[C:7]-[Br:13])=[O:12].[S:8]=[C:9](-[N:10])-[N:11]	1	55188
+[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[c:6]:2:[n:7]:[c:8](:[c:9](:[c:10]):[n:12]:2-[c:13]):[c:11]>>[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[C:6](-[N:7]-[c:8](:[c:9](:[c:10])-[N:12]-[c:13]):[c:11])=[O:14]	1	55199
+[S:1]-[C:2]-[N:3]-1-[C:4]=[C:5](-[Cl:6])-[C:7]=[N:8]-[C:9]-1=[O:10]>>[S:1]-[C:2]-[Cl:11].[n:3]:1:[c:4]:[c:5](-[Cl:6]):[c:7]:[n:8]:[c:9]:1-[O:10]	1	55210
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+[O:1]-[c:2]:1:[c:3](-[O:4]):[c:5](:[c:6]):[c:8](:[c:7]):[n:9]:[c:10]:1-[O:11]>>[O:1]-[C:2]-[C:10](-[N:9]-[c:8](:[c:5](-[C:3](-[O:4])=[O:12]):[c:6]):[c:7])=[O:11]	1	55221
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3])-[Br:4]	1	55244
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+[O:1]-[C:2](=[O:3])-[C:4](-[C:5]-[c:6])-[C:7](=[O:8])-[O:9]>>[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6])-[C:7](=[O:8])-[O:9]	1	55280
+[C:1](-[c:2](:[c:3]):[o:4])#[N:5]>>[C:1](-[c:2](:[c:3]):[o:4])(-[N:5])=[O:6]	1	55331
+[c:1](:[c:2]):[n:5]:[c:4]:[c:3]>>[c:1](:[c:2]):[n:5]:[c:4](:[c:3])-[Br:6]	1	55354
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+[c:1]:[c:2](-[C:3](-[N:4])=[S:5]):[s:6]>>[S:5]=[P:16]-1(-[S:15]-[P:13](-[c:12]:2:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:27]:[c:26]:2)(=[S:14])-[S:25]-1)-[c:17]:3:[c:18]:[c:19]:[c:20](-[O:21]-[C:22]):[c:23]:[c:24]:3.[c:1]:[c:2](-[C:3](-[N:4])=[O:28]):[s:6]	1	55388
+[C-:1]#[N+:2]-[C:3]>>[C:1](-[N:2]-[C:3])=[O:4]	1	55391
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+[C:1]-[C:2](-[C:3])-[c:4]:[c:5]:[n:6]>>[C:1]-[C:2](-[C:3])(-[c:4]:[c:5]:[n:6])-[O:7]	1	55458
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6](-[C:7]-[C:8](=[O:9])-[N:10])-[C:11]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:12].[N:6](-[C:7]-[C:8](=[O:9])-[N:10])-[C:11]	1	55462
+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1>>[c:1]:1:[c:2]:[n:3](:[n:4]:[c:5]:1)-[S:13](-[c:12]:2:[c:6]:[c:7]:[c:9](-[C:8]):[c:10]:[c:11]:2)(=[O:14])=[O:15]	1	55471
+[c:1]-[C:2]-[C:3](-[c:4])=[O:5]>>[c:1]-[C:2]=[C:3](-[c:4])-[C:7](=[O:5])-[O:6]	1	55479
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+[C:1]-[C:2](=[C:3])-[C:4](=[O:5])-[O:6]-[c:7]>>[O:6]-[c:7].[C:1]-[C:2](=[C:3])-[C:4](=[O:5])-[O:8]	1	55523
+[C:1]-[N:2]-1-[C:3]-[C:4]-[O:5]-[C:6]-1=[O:7]>>[C:1]-[N:2]-[C:3]-[C:4]-[O:5].[C:6](=[O:7])(-[n:10]:1:[c:9]:[c:8]:[n:17]:[c:16]:1)-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	1	55546
+[C:1]-[Si:2](-[C:3])(-[C:4]-[n:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:1)-[c:10]>>[C:1]-[Si:2](-[C:3])(-[C:4]-[Cl:11])-[c:10].[n:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:1	1	55593
+[O:1]=[C:2]-1-[N:3]-[C:4](-[c:5])-[N:6]-[c:7]:[c:8]-1:[s:9]>>[O:1]=[C:2](-[N:3])-[c:8](:[c:7]-[N:6]):[s:9].[C:4](-[c:5])=[O:10]	1	55597
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+[c:1]:1:[n:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[n:7]:[c:8](-[c:9]):[o:10]:2>>[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]:[n:6]:1)-[N:7]-[C:8](-[c:9])=[O:11])-[O:10]	1	55608
+[c:1]-[c:2]:1:[c:3](-[c:4]):[c:5]:[c:6](:[n:7]:[n:8]:1)-[O:9]>>[c:1]-[C:2]=1-[C:3](-[c:4])-[C:5]-[C:6](-[N:7]-[N:8]=1)=[O:9]	1	55614
+[C:1]-[C:2]-1=[C:3]-[C:4]-[N:5](-[C:6]-[c:7])-[C:8]-[C:9]-1>>[C:1]-[c:2]:1:[c:3]:[c:4]:[n:5]:[c:8]:[c:9]:1.[C:6](-[c:7])-[Br:10]	1	55621
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+[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[O:7])(-[c:8])-[c:9]>>[C:6](=[O:7])(-[c:8])-[c:9].[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1	1	55696
+[n:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8]):[c:10]>>[N:4]-[c:5](:[c:6](:[c:7])-[S:9]):[c:8].[n:1]:[c:2](-[C:3](=[O:11])-[O:12]):[c:10]	1	55724
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+[n:1]:[c:2]:[c:3]-[C:4]-[c:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[c:5])=[O:6]	1	55737
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+[n:1]:[c:2]:[c:3]-[C:4]-1-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[C:10]-1-[c:11]:[c:12]:[n:13]>>[n:1]:[c:2]:[c:3]-[C:4]=1-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[C:10]=1-[c:11]:[c:12]:[n:13]	1	55778
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+[O:1]=[C:2](-[C:3]-[N:4](-[C:5]=[O:6])-[C:7]=[O:8])-[N:9]>>[O:1]=[C:2](-[C:3]-[Cl:10])-[N:9].[N:4](-[C:5]=[O:6])-[C:7]=[O:8]	1	55821
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+[N:1]#[C:2]-[N:3]=[C:4](-[N:5]-[c:6])-[N:7]-[C:8]>>[N:7]-[C:8].[N:1]#[C:2]-[N:3]-[C:4](=[N:5]-[c:6])-[S:10]-[C:9]	1	55830
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+[N:1]-[C:2]#[N:3]>>[N:1]-[C:2](-[N:3])=[S:4]	1	55856
+[n:1]:1:[c:2]:2:[c:3]:[c:4]:[c:5]:[c:6](-[O:7]):[c:8]:2:[c:9]:[c:10]:1>>[n:1]:1:[c:2]:2-[C:3]-[C:4]-[C:5]-[C:6](=[O:7])-[c:8]:2:[c:9]:[c:10]:1	1	55861
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+[N:1]-[C:2]-[c:3]>>[N:1](=[C:2]-[c:3])-[O:5]-[C:4]	1	55898
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+[O:1]=[C:2]-1-[N:3]-[N:4](-[c:5])-[C:6]=[C:7]-1-[C:8]=[O:9]>>[O:1](-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6]:[c:7]:1-[C:8]=[O:9])-[C:14]-[c:13]:2:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:2	1	55966
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+[n:1]:[c:2]:[c:7](:[c:4](:[c:3])-[C:5]#[C:6]):[n:8]>>[C:5]#[C:6].[n:1]:[c:2]:[c:7](:[c:4](:[c:3])-[I:9]):[n:8]	1	55980
+[C:1]-[C:2](-[Br:3])=[C:4](-[C:5]-[C:6]-[c:7])-[C:8]=[C:9]>>[C:1]-[C:2](-[Br:3])=[C:4](-[C:5]#[C:6]-[c:7])-[C:8]=[C:9]	1	55981
+[C:1]-[c:2]:1:[c:3](-[C:4]-[C:5](=[O:6])-[O:11]):[o:7]:[c:8](-[c:9]):[n:10]:1>>[C:1]-[C:2](-[C:3](-[C:4]-[C:5](=[O:6])-[O:11])=[O:12])-[N:10]-[C:8](=[O:7])-[c:9]	1	55998
+[O:1]=[C:2](-[C:3])-[N:4]-[O:5]>>[O:1]=[C:2](-[C:3])-[N:4]-[O:5]-[K:6]	1	56002
+[O:1]=[C:2]-[O:3]-[C:4]-[O:5]-[C:6](=[O:7])-[C:8]>>[O:5]-[C:6](=[O:7])-[C:8].[O:1]=[C:2]-[O:3]-[C:4]-[Cl:9]	1	56009
+[C:1]-[S:2]>>[C:1]-[S:2]-[C:4](=[O:3])-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1	1	56010
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:8](:[c:7]):[c:9](-[c:10]):[c:11]:1):[s:12]>>[N:4]-[c:5](:[c:6]):[c:8](:[c:7])-[C:9](-[c:10])=[O:13].[c:1]:[c:2](-[C:3](-[C:11])=[O:14]):[s:12]	1	56012
+[N:1]-[C:2](=[O:3])-[C:4]-[c:5]>>[N:1]-[C:2](=[O:3])-[C:4](-[c:5])-[S:7]-[C:6]	1	56019
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6]=[O:7]):[c:8](:[c:9]:1:[c:10])-[O:11]>>[c:1]:[c:2](-[N:3]-[C:4]=[C:5](-[C:6]=[O:7])-[C:8](=[O:11])-[O:14]-[C:13]-[C:12]):[c:9]:[c:10]	1	56023
+[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[c:6]):[n:7]:1-[C:8]>>[c:1]-[C:2](-[C:3]-[C:4]-[C:5](-[c:6])=[O:10])=[O:9].[N:7]-[C:8]	1	56035
+[C:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[C:1]-[C:2](-[c:3](:[n:4]):[c:5])-[O:6]	1	56040
+[C:1](-[C:2]-[C:3]=[C:4]-[C:5])-[C:7](-[N:6])=[O:8]>>[C:1](-[C:2]-[C:10]=[C:9])-[C:7](-[N:6])=[O:8].[C:3]=[C:4]-[C:5]	1	56054
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:[c:6]:1:[n:7]>>[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[c:6]:1:[n:7])-[Cl:8]	1	56069
+[C:1]-[N:2]>>[C:1]-[N:2]-[C:7](-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:21]:[c:20]:1)(-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3	1	56093
+[c:1]:1:[n:2]:[n:3]:[c:4](:[c:5]:1):[c:6]>>[c:1]:1:[n:2]:[n:3](:[c:4](:[c:5]:1):[c:6])-[C:22](-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2)(-[c:21]:3:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:3)-[c:23]:4:[c:9]:[c:8]:[c:7]:[c:25]:[c:24]:4	1	56100
+[N:1]#[C:2]-[C:3](-[C:4]-[C:5])(-[c:6])-[c:7]>>[N:1]#[C:2]-[C:3](-[c:6])-[c:7].[C:4](-[C:5])-[Cl:8]	1	56113
+[c:1]-[C:2]-1(-[C:3]-[O:4]-[c:5](:[c:6]):[c:8]-1:[c:7])-[C:9](=[O:10])-[N:11]>>[c:1]-[C:2](-[C:3]-[O:4])(-[c:5](:[c:6]):[c:8](:[c:7])-[O:12])-[C:9](=[O:10])-[N:11]	1	56141
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[C:10](-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:18]:[c:17]:1)-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2	1	56146
+[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:2:[c:7]:[c:8]:[n:9]:[c:10]:1:2>>[c:1]-[C:2]-1=[C:3]-[C:4]-[C:5]-[n:6]:2:[c:7]:[c:8]:[n:9]:[c:10]-1:2	1	56162
+[N:1]#[C:2]-[C:3](-[C:4]-[c:5])-[C:6](=[O:7])-[O:8]>>[N:1]#[C:2]-[C:3](=[C:4]-[c:5])-[C:6](=[O:7])-[O:8]	1	56184
+[C:1](-[C:2]-[C:3](-[c:4])-[O:5]-[c:6])=[O:7]>>[C:1](-[C:2]=[C:3]-[c:4])=[O:7].[O:5]-[c:6]	1	56188
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[c:7]):[n:8]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[N:8]=[C:6]-[c:7]	1	56190
+[C:1]-[C:2]=[C:3]-[O:4]-[C:5]-[c:6]>>[C:1]-[C:2]=[C:3]-[O:4].[C:5](-[c:6])-[Br:7]	1	56198
+[c:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[c:8]):[o:9]:1>>[S:3]=[C:4]-1-[N:5]-[N:6]=[C:7](-[c:8])-[O:9]-1.[c:1]-[C:2]-[Br:10]	1	56199
+[c:1](:[n:2]):[c:5]:1:[c:4](:[n:3]):[c:10]:[c:9]:[n:6]:1-[C:7]-[c:8]>>[C:7](-[c:8])-[Br:11].[c:1](:[n:2]):[c:5]:1:[c:4](:[n:3]):[c:10]:[c:9]:[n:6]:1	1	56203
+[C:1]-1-[O:2]-[C:3](=[O:4])-[C:5]-1>>[C:1](-[O:2])-[C:5]-[C:3](=[O:4])-[O:6]	1	56253
+[C:1]-[C:2]-1=[C:3](-[N:4]=[C:5](-[N:6]-[C:7])-[C:8](=[O:9])-[N:10]-1-[C:11]-[C:12](=[O:13])-[O:14])-[Cl:15]>>[C:1]-[C:2]-1=[C:3](-[N:4]-[C:5](=[N:6]-[C:7])-[C:8](=[O:9])-[N:10]-1-[C:11]-[C:12](=[O:13])-[O:14]-[C:20]-[c:19]:2:[c:18]:[c:17]:[c:16]:[c:22]:[c:21]:2)-[Cl:15]	1	56258
+[C:1]-[C:2](=[C:3]-[N:4]=[C:5])-[N:6]>>[C:1]-[C:2](=[C:3](-[N:4]=[C:5])-[Cl:7])-[N:6]	1	56261
+[c:1]:1:[c:2](-[N:3]-[C:4]):[n:5]:[n:6]:[c:7]:1>>[N:3]-[C:4].[c:1]:1:[c:2](:[n:5]:[n:6]:[c:7]:1)-[Br:8]	1	56279
+[N:1]-[c:2](:[c:3]):[n:4]>>[N:1](-[c:2](:[c:3]):[n:4])(-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:18]:[c:17]:1)-[C:10]-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2	1	56311
+[C:1]-1=[N:2]-[C:3]-2=[C:4](-[C:5]-[C:6]-[C:7]-[N:8]-2)-[C:9](=[O:10])-[N:11]-1>>[C:1]-1=[N:2]-[c:3]:2:[c:4](:[c:5]:[c:6]:[c:7]:[n:8]:2)-[C:9](=[O:10])-[N:11]-1	1	56323
+[n:1]:[c:2]:[c:3]:[c:4](:[c:5])-[C:8]=[C:7]-[C:6]>>[n:1]:[c:2]:[c:3]:[c:4]:[c:5].[C:6]-[C:7]#[C:8]	1	56324
+[O:1]=[C:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-1>>[O:1]=[C:2]-1-[C:3]=[C:4]-[C:5]-[C:6]-1	1	56351
+[O:1]=[C:2]-[c:3](:[c:4]:[n:5]):[n:6]>>[O:1]=[C:2](-[c:3](:[c:4]:[n:5]):[n:6])-[O:9]-[C:8]-[C:7]	1	56383
+[C:1]-[C:2](-[C:3](=[C:4]-[C:5])-[C:6])=[O:7]>>[C:1]=[C:2](-[C:3](=[C:4]-[C:5])-[C:6])-[O:7]-[C:9]-[C:8]	1	56387
+[c:1]:1:[c:2]:[s:3]:[c:4](-[N:5]-2-[C:6]=[C:7]-[C:8](-[C:9](=[O:10])-[N:11])=[C:12]-[C:13]-2=[O:14]):[n:15]:1>>[n:5]:1:[c:6]:[c:7]:[c:8](-[C:9](=[O:10])-[N:11]):[c:12]:[c:13]:1-[O:14].[c:1]:1:[c:2]:[s:3]:[c:4](:[n:15]:1)-[Br:16]	1	56396
+[s:1]:[c:2](-[N:3](-[C:4]-[C:5])-[C:7](-[C:6])=[O:8]):[n:9]>>[s:1]:[c:2](-[N:3]-[C:7](-[C:6])=[O:8]):[n:9].[C:4](-[C:5])-[Br:10]	1	56397
+[s:1]:[c:2](-[N:3]-1-[C:4]-[C:5]-[C:6]-[C:7]-1=[O:8]):[n:9]>>[s:1]:[c:2](-[N:3]-[C:7](-[C:6]-[C:5]-[C:4]-[Br:10])=[O:8]):[n:9]	1	56398
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6])-[N:7]-[C:8](=[O:9])-[O:10]>>[C:5](-[c:6])=[O:17].[O:1]-[C:2](=[O:3])-[C:4](-[N:7]-[C:8](=[O:9])-[O:10])-[P:13](-[O:12]-[C:11])(=[O:14])-[O:15]-[C:16]	1	56438
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5](:[n:6]:[c:7](-[C:8]):[n:9]:1)-[c:10]>>[N:1]-[C:2](=[O:3])-[C:4](=[C:5](-[N:6])-[c:10])-[N:9]-[C:7](-[C:8])=[O:11]	1	56445
+[C:1](=[O:2])-[N:3](-[C:4])-[c:5](:[c:6]:[n:7]):[c:8]>>[C:1](=[O:2])-[N:3]-[C:4].[c:5](:[c:6]:[n:7])(:[c:8])-[F:9]	1	56453
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[C:6]):[o:7]:1>>[C:1]-[C:2](-[C:3]-[N:4]-[C:5](-[C:6])=[O:7])=[O:8]	1	56454
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[N:6]-[C:7]-1=[O:8]>>[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[N:6]-[C:7](=[O:8])-[O:10]-[C:9]-[C:11]	1	56455
+[c:1]-[C:2]-[C:3](-[N:4]-[C:9](=[O:8])-[O:10])-[C:5](=[O:6])-[O:7]>>[c:1]-[C:2]=[C:3](-[N:4]-[C:9](=[O:8])-[O:10])-[C:5](=[O:6])-[O:7]	1	56512
+[N:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[N:1]-[C:2](=[O:3])-[O:6]-[C:13]-[c:12]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1.[O:4]-[C:5]	1	56522
+[n:1]:[c:8](:[c:2]):[c:7](:[c:3])-[C:6]=[C:5]-[C:4]>>[n:1]:[c:8](:[c:2]):[c:7]:[c:3].[C:4]-[C:5]#[C:6]	1	56526
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:1:[c:6]>>[c:1]:1:[c:2]:[c:3]:[n:4](:[c:5]:1:[c:6])-[C:8](=[O:7])-[O:9]-[C:10]-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2	1	56568
+[N:1]=[C:2](-[N:3]-[C:4])-[S:7].[C:5]-[O:6]>>[N:1]-[C:2](=[N:3]-[C:4])-[S:7].[C:5]-[O:6]-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1	1	56585
+[N:1](-[O:2])-[C:3](-[O:4])=[O:5]>>[N:1]-[O:2].[C:3](-[O:4])(=[O:5])-[Cl:6]	1	56611
+[O:1]=[C:2](-[C:3]=[C:4]-[O:5])-[N:6]>>[O:1]=[C:2](-[C:3](=[C:4]-[O:5])-[C:10](-[O:9]-[C:8]-[C:7])=[O:11])-[N:6]	1	56613
+[O:1]=[C:2]-[N:8](-[C:6](-[N:4](-[c:3])-[c:5])=[O:7])-[O:9]>>[O:1]=[C:2]-[N:8]-[O:9].[c:3]-[N:4]-[c:5].[C:6](=[O:7])(-[n:17]:1:[c:13]:[n:14]:[c:15]:[c:16]:1)-[n:18]:2:[c:12]:[n:11]:[c:10]:[c:19]:2	1	56616
+[O:1]-[c:2]:[c:4](:[n:3]):[n:5]>>[O:1](-[c:2]:[c:4](:[n:3]):[n:5])-[C:10]-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:1	1	56694
+[c:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[c:6]:[c:7]:[s:8]:1>>[c:1]-[C:2](=[O:3])-[O:10]-[C:9].[c:4]:1:[n:5]:[c:6]:[c:7]:[s:8]:1	1	56705
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6])-[O:7]>>[C:5](-[c:6])=[O:8].[O:1]-[C:2](=[O:3])-[C:4](-[O:7])-[P+:13](-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:27]:[c:26]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	1	56707
+[O:1]-[C:2]-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1>>[O:1]=[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)-[O:9]-[C:8]	1	56711
+[N:1]-[c:2]:1:[n:3]:[o:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[N:1]#[C:2]-[c:6](:[c:5](-[O:4]-[N:3]=[C:10](-[C:9])-[C:11]):[c:8]):[c:7]	1	56717
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[c:6](:[c:7]):[c:9](:[c:8]):[c:10](-[O:11]):[c:12]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[N:5]-[c:6](:[c:7]):[c:9]:[c:8])=[C:12]-[C:10](=[O:11])-[O:13]	1	56740
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N+:2](-[O-:6])=[O:9].[C:3](=[O:4])(-[C:5])-[O:8]-[C:7]	1	56742
+[c:1](-[C:2]-[C:3]=[O:4]):[c:5]:[n:6]>>[c:1](-[C:2]=[C:3]-[O:4]-[C:7]):[c:5]:[n:6]	1	56748
+[C:1]-[C:2](-[C:3])(-[C:4])-[c:6](:[c:5]):[c:7]>>[C:1]=[C:2](-[C:3])-[C:4].[c:5]:[c:6](:[c:7])-[Br:8]	1	56769
+[N:1]-[C:3](=[C:2])-[C:4]-[O:5]>>[N:1]-[C:3](=[C:2])-[C:4](=[O:5])-[O:6]	1	56833
+[c:1]:[c:2](-[C:3](-[C:4])-[O:6]):[o:5]>>[c:1]:[c:2](-[C:3](-[C:4])=[O:6]):[o:5]	1	56855
+[O:1]=[C:2](-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:7]-[N:8]-1-[C:9])-[N:10]>>[O:1]=[C:2](-[c:3]:1:[c:4]:[c:5](-[O:6]-[C:15]-[c:14]:2:[c:13]:[c:12]:[c:11]:[c:17]:[c:16]:2):[n:7]:[n:8]:1-[C:9])-[N:10]	1	56876
+[O:1]=[C:2]-1-[N:3]-[N:4](-[C:5])-[C:7](-[C:6])=[C:8]-1>>[O:1](-[c:2]:1:[n:3]:[n:4](-[C:5]):[c:7](-[C:6]):[c:8]:1)-[C:13]-[c:12]:2:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:2	1	56877
+[C:1]-[S:2]>>[C:1]-[S:2]-[C:7]-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:9]:[c:8]:1	1	56882
+[S:1]-[c:2](:[n:3]):[n:4]>>[S:1](-[c:2](:[n:3]):[n:4])-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1	1	56885
+[c:1](:[c:2](-[N:3]):[c:4]:[n:5]):[n:6]>>[c:1](:[c:2](-[N:3]=[O:7]):[c:4]:[n:5]):[n:6]	1	56895
+[N:1]-[C:2](-[c:3](:[c:4]):[c:5])(-[C:6])-[C:7]>>[c:3](:[c:4])(:[c:5])-[Mg:9]-[Br:8].[N:1]-[C:2](-[C:6])(-[C:7])-[C:11]#[N:10]	1	56925
+[C:1](=[O:2])-[O:5].[C:3](=[O:4])-[O:6]>>[C:1](=[O:2])-[O:5]-[C:7].[C:3](=[O:4])-[O:6]-[C:8]	1	56939
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](:[c:7]):[c:9]:1:[c:8]>>[c:1]:[c:2]:[c:3](:[c:4])-[N:5]-[c:6](:[c:7]):[c:9]:[c:8]	1	56941
+[O:1]=[C:2](-[C:3])-[c:4]:1:[n:5]:[c:6]:[c:7]:[o:8]:1>>[O:1]=[C:2](-[C:3])-[O:9].[c:4]:1:[n:5]:[c:6]:[c:7]:[o:8]:1	1	56965
+[n:1]:[c:2](-[C:3](=[O:4])-[C:5]):[o:6]>>[n:1]:[c:2](-[C:3](-[O:4])-[C:5]):[o:6]	1	56978
+[c:1]-[P:2](-[c:3])-[c:4]>>[c:1]-[P:2](-[c:3])(-[c:4])=[O:5]	1	56991
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])=[C:6]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5]=[P:11](-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:25]:[c:24]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3)=[C:6]	1	56993
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[S:5](=[O:4])(=[O:6])-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	57000
+[N:1]-[C:2](=[O:3])-[C:4]-1-[C:5]-[N:6]-1-[S:7]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5]-[O:8])-[N:6]-[S:7]	1	57001
+[N:1]-[C:2]-[C:3]=[C:4]>>[N:1](-[C:2]-[C:3]=[C:4])-[S:6](=[O:5])(=[O:7])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	57004
+[C:1](=[O:2])-[c:3]:1:[c:4](-[C:5]-[C:6](=[O:7])-[O:8]):[c:9](:[c:10]):[c:12](:[c:11]):[n:13]:1>>[C:4](=[C:5]-[C:6](=[O:7])-[O:8])-[c:9](:[c:10]):[c:12](:[c:11])-[N:13]-[S:16](=[O:15])(=[O:17])-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1.[C:1](=[O:2])-[C:3]-[Br:14]	1	57005
+[c:1]-[O:2]>>[c:1]-[O:2]-[Si:16](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[C:13](-[C:12])(-[C:14])-[C:15])-[c:17]:2:[c:5]:[c:4]:[c:3]:[c:19]:[c:18]:2	1	57030
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]-[c:7](:[c:8]:[n:9]):[n:10]):[n:11]:1>>[N+:6](-[c:7](:[c:8]:[n:9]):[n:10])(=[O:13])-[O-:14].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:11]:1)-[Cl:12]	1	57057
+[N:1]-1-[N:2]=[C:3]-2-[C:4](-[c:5])=[C:6](-[c:7])-[C:8]=[C:9]-[N:10]-2-[C:11]-1=[O:12]>>[N:1]-[N:2]-[c:3]:1:[c:4](-[c:5]):[c:6](-[c:7]):[c:8]:[c:9]:[n:10]:1.[C:11](=[O:12])(-[n:15]:1:[c:14]:[c:13]:[n:22]:[c:21]:1)-[n:16]:2:[c:17]:[c:18]:[n:19]:[c:20]:2	1	57060
+[c:1]-[O:9].[C:2]-1-[N:3]-[C:4](=[N:5])-[c:6](:[n:7]):[c:8]-1>>[c:1]-[O:9]-[C:10].[C:2]-1-[N:3]=[C:4](-[N:5])-[c:6](:[n:7]):[c:8]-1	1	57075
+[C:1](-[C:2]-[S:3]-[c:4])=[N:5]>>[S:3]-[c:4].[C:1](-[C:2]-[Cl:6])=[N:5]	1	57087
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]-[O:7]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](=[O:7])-[O:8]	1	57097
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[c:6](:[n:7]):[c:8]>>[C:1]-[N:2]-[c:6](:[n:7]):[c:8].[C:3](=[O:4])(-[c:5])-[O:9]	1	57114
+[C:1](-[O:2]-[c:3]:1:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[n:11]:1)-[C:12](=[O:13])-[N:14]>>[C:1](-[O:2])-[C:12](=[O:13])-[N:14].[c:3]:1(:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[n:11]:1)-[Cl:15]	1	57115
+[C:1]-[C:2](-[O:3])-[c:4](:[n:5]):[n:6]>>[C:1]-[C:2](=[O:3])-[c:4](:[n:5]):[n:6]	1	57118
+[O:1]=[C:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:2:[n:7]:[c:8]:[c:9]:[c:10]:[n:11]:1:2>>[O:1]=[C:2]-[C:3](-[N:4]-[C:5]-[c:6]:1:[n:7]:[c:8]:[c:9]:[c:10]:[n:11]:1)=[O:12]	1	57121
+[n:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:1>>[n:1]:1:[c:2](:[c:3]:[n:4]:[c:5]:1)-[Br:6]	1	57123
+[n:1]:[c:2](:[n:3])-[O:4]>>[n:1]:[c:2](:[n:3])-[O:4]-[C:5]	1	57128
+[c:1](:[c:2]:[n:3])(:[c:5]:[n:4])-[O:6]>>[c:1](:[c:2]:[n:3])(:[c:5]:[n:4])-[O:6]-[C:8]-[C:7]	1	57144
+[n:1]:[c:2]:[c:3](-[O:4]):[c:5]:[n:6]>>[n:1]:[c:2]:[c:3](-[O:4]-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1):[c:5]:[n:6]	1	57145
+[c:1]:[c:2](-[S:3]):[c:4](-[N:5]):[c:6]>>[c:1]:[c:2]:1:[s:3]:[c:7]:[n:5]:[c:4]:1:[c:6]	1	57150
+[O:1]=[C:2](-[C:3]-[C:4]-[c:5](:[c:6]:[n:7]):[c:9]:[n:8])-[O:10]>>[O:1]=[C:2](-[C:3]=[C:4]-[c:5](:[c:6]:[n:7]):[c:9]:[n:8])-[O:10]	1	57158
+[C:1](-[c:4]:[c:3]-[N:2])(=[O:5])-[N:6]>>[C:1](-[c:4]:[c:3]-[N+:2](=[O:5])-[O-:7])#[N:6]	1	57161
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5]:2:[c:6](:[c:7]:[n:8]:[n:9]:2):[c:10](-[O:11]):[n:12]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[c:5]:1:[c:6](:[c:7]:[n:8]:[n:9]:1)-[C:10](=[O:11])-[N:12])-[F:13]	1	57172
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:[n:7]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n+:6](:[n:7]:1)-[O-:8]	1	57188
+[C:1](-[c:2](:[n:3]):[c:4])-[O:5]>>[C:1](-[c:2](:[n:3]):[c:4])(=[O:5])-[O:6]	1	57189
+[n:1]:[c:2](-[N:3]-1-[C:4](=[O:5])-[C:6]-[C:7]-[C:8]-1=[O:9]):[s:10]>>[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]-[C:7]-[C:8](=[O:9])-[O:11]):[s:10]	1	57212
+[O:1]=[C:2]-1-[C:3]=[C:4]-[C:5]=[C:6]-[N:7]-1-[c:8](:[n:9]:[c:10]:[c:11]):[c:12]>>[c:8](:[n:9]:[c:10]:[c:11])(:[c:12])-[Br:13].[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:[n:7]:1	1	57216
+[n:1]:[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1>>[n:1]:[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6]:1)-[N:7]	1	57224
+[c:1](-[C:2]=1-[N:3]-[n:4]:2:[c:5](-[C:6]):[n:7]:[c:8](-[C:9]):[c:10]:2-[C:11](=[O:12])-[N:13]=1):[c:14]:[n:15]>>[c:1](-[c:2]:1:[n:3]:[n:4]:[c:10](-[C:8](-[N:7]-[C:5](-[C:6])=[O:16])-[C:9]):[c:11](-[O:12]):[n:13]:1):[c:14]:[n:15]	1	57233
+[n:1]:[c:13](:[c:3]:[n:2]):[c:12]-1:[c:5](:[c:4])-[N:6]-[C:7](=[O:8])-[C:9](=[O:10])-[N:11]-1>>[n:1]:[c:13](:[c:3]:[n:2]):[c:12]:1:[c:5](:[c:4]):[n:6]:[c:7](-[O:8]):[c:9](-[O:10]):[n:11]:1	1	57247
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[n:5]:[c:6]:3:[n:7]:[c:8]:[c:9]:[c:10]:[c:11]:3:[c:12]:2:[c:13]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:12](-[c:11]:2:[c:6](-[N:5]):[n:7]:[c:8]:[c:9]:[c:10]:2):[c:13]:1)-[Cl:14]	1	57274
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1-[O:6]	1	57280
+[C:1]-[C:2]-[C:3](-[c:4](:[c:5]:[n:6]):[c:8]:[n:7])-[C:9]>>[C:1]-[C:2]=[C:3](-[c:4](:[c:5]:[n:6]):[c:8]:[n:7])-[C:9]	1	57294
+[c:1](:[c:2](-[c:3]:1:[n:4]:[c:5]:2:[c:6](:[c:7]:[c:8]:[n:9]:[c:10]:2):[o:11]:1):[n:12]):[n:13]>>[c:1](:[c:2](-[C:3](-[N:4]-[c:5]:1:[c:6](:[c:7]:[c:8]:[n:9]:[c:10]:1)-[O:11])=[O:14]):[n:12]):[n:13]	1	57302
+[C:1]-[N:2]=[C:3]-1-[N:4]-[C:5]-[C:6]-[C:7]-[N:8]-1>>[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1	1	57316
+[c:1]:1:[c:2]:[c:3]:[c:4](-[O:5]-[c:6]):[s:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:7]:1)-[Br:8].[O:5]-[c:6]	1	57374
diff --git a/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step_policy_data.native.tsv b/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step_policy_data.native.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..144e2de53f8b86550624cd8d564dccc2de1dbca6
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step_policy_data.native.tsv
@@ -0,0 +1,57382 @@
+product_smiles	rule_id
+O=S(=O)(Nc1ccc2COB(c2c1)O)c3ccc(cc3CC(=O)OCC)OC	69
+C1CC1c2cc(C#N)c(nc2Oc3cc4c(cc3)B(O)OC4)OCCCC(=O)C	136
+C(=O)(OC)C(C)c1c(F)cc(Br)c(c1)F	369
+C(C(=O)CBr)c1c(F)cccc1Cl	3173
+C(CCC(=O)CBr)(OC)=O	3173
+C(CCC)CNC(NCCCCCBr)=O	1064
+C(CCN1C(=O)N(c2ncn(c2C1=O)C)C)CCCCCCCC(OC(=O)C)CBr	5109
+c1ccc(cc1CCO)CCBr	1064
+c1(ccc2ncccc2c1CBr)[N+]([O-])=O	540
+C(c1cc(OC)ccc1Br)Br	540
+C(c1ccc(OCC)cc1C)Br	540
+C(OCC)(=O)C1(C(OCC)=O)CCC(=O)N1c2cnc(cc2)Oc3ccc(cc3)CBr	540
+C(CCCCN1C(=O)N(C)C=C(C1=O)C)(OC(C)=O)CBr	2307
+CCOC(C(CCBr)F)=O	3174
+c1cc(ccc1C(C(CC2CCCCC2)Br)=O)OC	1784
+C1CCC(C1)c2c(ccc(c2)Br)O	428
+C1CCCCC1c2c(ccc(c2)Br)O	428
+C1CN(CCC1)CCCCCCCCCC(CBr)OC(=O)C	2307
+C1COCCC1N(C)c2ccc(Br)cn2	1455
+O=S1(=O)CCC(CC1)CCBr	2308
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc3c(cc2Br)OCC4=NNC(=O)C(C)N34	428
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)C(=O)C(Br)c3ccccc3	2309
+CC(C)(C)OC(N1CC(C1)Oc2cc3N4C(C)C(=O)NN=C4COc3cc2Br)=O	428
+CC(C)(C)OC(=O)N1CCc2ccc(c(c2CC1)CBr)Cl	5110
+CC(C)(C)OC(Nc1ccc(Br)c(C)c1C(O)=O)=O	428
+CC(C)(C)c1cc(Br)ccc1N	428
+CC(C)(C)c1cc(C(=O)CBr)cc2NC(=O)COc12	380
+CC(C)(C)c1cc(OCCOC)cc(C(CBr)=O)c1	380
+CC(C)(C)c1cc2ccc3c4c(ccc(c24)c1)c(Br)cc3	428
+CC(C)(C)c1cc(Br)ccc1O	428
+CC(C)C(C(N1C(C(=O)OCC(=O)c2cc3c(-c4cc5c(cc4OC3)C(C(Br)CC5)=O)cc2)CCC1C)=O)NC(=O)OC	1784
+CC(C)CC(C(O)=O)Br	3175
+CC(C)Cc1c(Br)cccc1	369
+c1cc(ccc1)C(=O)C(Br)C=2C=CC(=O)N(C(C)C)N=2	5111
+CC(C)N1c2c(cc(c(c2)C)Br)CCC1	428
+CC(C)N1C(c2cc(ccc2C(=N1)Br)CBr)=O	540
+CC(C)Oc1cc(c(cc1)CBr)C	540
+CC(C)c1c(OC)ccc(Br)c1C	428
+CC(C)c1cc(Br)ccc1O	428
+c1cc(ccc1)CC(C(=O)OCC)CCBr	3174
+c1cc(cc(OC(C)=O)c1OC)C(CBr)=O	5112
+c1(C)cc(cc(C)c1C(=O)CBr)Oc2ccc3OCOc3c2	380
+Clc1cc(C#N)cc(Oc2c(c(OC)ncc2CO)Br)c1	1455
+c1(cc(cc(Cl)c1C)Br)Cl	369
+Clc1ccc2c(nccc2NCCOCCBr)c1	1064
+Clc1cnc(C(CBr)=O)c(Cl)c1	380
+FC(F)(F)C(=O)N1CC(C1)Cc2cc(ccc2OC)Br	428
+FC(F)(F)C(Nc1ccc(cc1)C#CCCCBr)=O	5113
+FC(F)(F)CCNC(c1ccc(cc1)C(=O)CBr)=O	380
+FC(F)(F)COc1cc(c(C(CBr)=O)nc1)Cl	380
+FC(F)(F)c1cc(ccc1O)Br	428
+FC(F)(F)c1c2C(=O)C(CCc2[nH]n1)Br	1784
+FC(F)(F)c1c(ccc(c1)N(S(=O)(=O)C)c2cc3oc(c(C(NC)=O)c3cc2C4CC4)-c5ccc(cc5)F)Br	369
+FC(F)(F)c1ccc(cc1)Oc2cc(C)c(c(c2)C)C(CBr)=O	380
+FC(F)(F)c1cccc(c1F)C(CBr)=O	380
+FC(F)(F)c1cc(NCCBr)c2c(n1)cccc2	1064
+FC(F)Oc1n(nc(c1Cl)-n2c(c(cn2)C#N)Br)C	5114
+c1(ccc(Br)c(C)c1F)C#N	369
+c1(ccc(Br)c(C)c1F)C(=O)O	369
+c1(c2cc(C)n(C(=O)OC)c2ccc1Cl)Br	5115
+c1c(cc(C)c(c1)[N+]([O-])=O)Br	369
+n1c(c(C)cc(Br)c1)CCCCN	1455
+c1c(cc(c(c1)CC)[N+]([O-])=O)Br	369
+c1(cc2cccnc2c(c1)Br)OC	5116
+c1c(Br)cc2CC(CCCc2c1)=O	369
+Nc1c(c(c(cc1)Br)F)C	428
+c1(c(cccc1Br)C(=O)O)Cl	369
+c1(ncc(cc1[N+]([O-])=O)Br)Br	2310
+Brc1ncc(C)cc1[N+](=O)[O-]	2310
+c1c(Br)cc2c(c1)N(CCC2)CCCCC(OCC)=O	428
+CCc1cc(c(OCC)cc1O)Br	428
+O(c1cc(Cl)c(C(=O)CBr)nc1)C	380
+C(CCCN1C(=O)N(c2ncn(C)c2C1=O)C)(OC(C)=O)CBr	2307
+O=C(c1c(O)c(O)c(Br)cc1)O	369
+c1ccc2C(=O)N(C(=O)c2c1)C(CF)(C(OC)=O)CC(=O)CBr	3176
+O=S(=O)(CC)c1ccccc1C(CBr)=O	380
+O=S(=O)(N)c1c(c(SC)cc(CBr)c1)Cc2ccccc2	540
+C1CCCCC1NS(=O)(=O)c2cccc(c2)C(CBr)=O	380
+C(Br)C(OC)CSCCCCCCCCCCCCCCCC	2308
+c1(csc(Br)n1)-c2cccc(c2F)F	2311
+c1(C)cc(Br)cnc1CCCN	1455
+c1c(CC)c(c([N+]([O-])=O)cc1)Br	369
+Cc1cc(cc(C)c1C(CBr)=O)Cl	380
+c1c(C)c(c(cc1OC)C)C(CBr)=O	380
+c1c(cc2c(c1)nc(N)nc2)Br	369
+c12c(cc(cc1cccc2)Br)C(OC)=O	369
+c1c(cc([N+]([O-])=O)cc1Br)C(=O)O	369
+Cc1cc(cc(C)c1)C(c2cc(C)cc(C)c2)Br	2312
+c1c(cc(-c2ccc(cn2)C)c(Cl)c1)Br	369
+c1(c(C)c(F)c(cc1F)C(=O)O)Br	369
+c1c(Cl)c(ccc1)C(c2ccccc2Cl)Br	2312
+c1(csc(Br)n1)-c2ccc(cc2F)Br	2311
+Cc1c(cccc1)C(c2c(C)cccc2)Br	2312
+c1cc(ccc1)C(C(=O)c2ccc3c(NC(=O)CO3)c2)Br	2309
+c1cc(ccc1)COC(CCC(C(O)=O)Br)=O	3175
+c1ccccc1Cc2ccccc2CBr	540
+c1ccccc1Cc2cc(ccc2O)Br	428
+c1cc(ccc1)Oc2cc(C)c(c(c2)C)C(CBr)=O	380
+c1cc(ccc1)Sc2ccc(nc2)Br	2310
+c1c(OC)c(Br)cc(-c2ccc(cc2C)C(=O)OC)c1	428
+c1cc(ccc1N(C)C)-c2nc(OC)ccc2Br	1455
+c1cc(ccc1Cl)-c2ccc(Br)c(I)c2	369
+c1cc(ccc1-c2oc3c(cc(c(N(S(=O)(=O)C)c4cc(Cl)c(Br)cc4)c3)C5CC5)c2C(NC)=O)F	369
+c1cc(ccc1-c2oc3cc(N(S(=O)(=O)C)c4cc(F)c(c(F)c4)Br)c(C5CC5)cc3c2C(NC)=O)F	369
+c1cc(ccc1OC)C(=O)C(Br)C	1784
+c1cc(ccc1-c2nc(sc2)Br)Br	2311
+c1cc(ccc1C(C(c2ccc(cc2)C)=O)Br)SC	2309
+c1cc(ccc1I)CC(=O)CBr	3176
+c1cc(ccc1CCCBr)[N+]([O-])=O	1064
+c1cc(ccc1Br)CCc2ccccc2CBr	540
+c1cc(ccc1CNc2cc(cc(c2)CBr)F)OC	540
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(N(S(=O)(=O)C)c4cc(Cl)c(Br)cc4)cc3o2)C5CC5	369
+c1cc(ccc1OCCCCCCCCCCCCCC)C(Nc2cccc(c2)CBr)=O	540
+c1cc(ccc1C#N)OCCN(S(=O)(=O)C)CCBr	2308
+c1c(C)c(c(cc1Oc2ccc(cc2)F)C)C(CBr)=O	380
+c1cc(ccc1[N+]([O-])=O)-c2cc(c(C(=O)CBr)cc2)C	380
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CBr	540
+c1ccccc1C2CC(CCBr)c3ccccc23	1064
+c1ccccc1CCCCCBr	1064
+c1ccccc1COc2cc(ccc2[N+]([O-])=O)CBr	540
+c1ccccc1COc2ccc(c3SC(=O)Nc23)C(CBr)=O	380
+n1c2cc(ccc2ccc1)CBr	540
+O=S(=O)(c1sc2c(cc(cc2)CBr)c1)N	5117
+BrC1(Br)C(=O)Nc2c1cc(Br)cn2	301
+BrCC(=O)C(c1c(cccc1)C)=O	5118
+C(C(=O)c1c(-c2ccc3c(ccc(c3Br)O)c2)oc4ccccc14)CCC	63
+C(C(O)C)Cc1nc(N)c2c(n(c(Br)n2)C)n1	1065
+c1cccc(C)c1C(=O)C(C(OCC)=O)Br	5119
+C(C(OC)=O)C(=O)C(CC)Br	1785
+c1(C(=O)OCC)c(Cl)c(ccc1OC)Br	63
+CCOC(=O)c1c2CCC(C(c2c(SC)s1)=O)Br	504
+c1c2c(cc(Br)c1NC(C)=O)C(CCC(=O)O)CC2	63
+C(CC(CCCC)CBr)CC	1224
+c12c(ccc(c1cccc2)C(C(Br)CCCC(=O)OCC)=O)F	504
+Nc1ncc(Br)nc1C(=O)OC	1786
+C(Oc1ccc(C(CBr)=O)c(C)c1)CCCl	288
+Cc1nc(sc1Br)-c2ccc(C(=O)O)cc2C	1066
+c1c(Br)c(cc(OC)c1F)CC(=O)O	63
+C(c1cc(c(cc1)O)C(CBr)=O)(=O)O	288
+C(c1cc2ccc(cc2cc1)OC)Br	1787
+C(c1cccc(c1)Cn2c3nc(nc(N)c3nc2Br)NCCCC)P(OCC)(=O)C	1065
+C(CC(=O)CBr)(NC1C(=O)N2C(C(=O)O)=C(CSC12)COC(=O)N)=O	3177
+O=C1NC(NC(=O)C1(Br)CCCCCCCCCC)=O	5120
+c12C(=O)C(Nc1c(C)cc(c2)Br)=O	63
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3C(NC(=O)CC(=O)CBr)C(=O)N23)=O	3177
+N1(C=C(c2cc(OC)c(cc2C1=O)OC)Br)CC	2313
+C1CC(CCC1)(C(c2c(c(C)cc(c2)C)OC)=O)Br	1788
+C1CCCCC1CC(C(=O)c2c(cc(cc2)OC)OC)Br	504
+C1CCCCC1CCC(Br)C(=O)c2cc(OC)c(cc2OC)Cl	504
+C1CCCCC1CCC(Br)C(=O)c2cc(c(cc2OC)C)OC	504
+C1CC(CCC1C(OC)=O)c2ccc(cc2)Br	63
+C1CC(CCC1O)c2ccc(cc2)Br	63
+C1CN(CCC1C(CBr)=O)C(C)=O	400
+COc1c2c(C(C(C2)Br)=O)ccc1C	504
+C1CC12C(Nc3c(F)cc(cc23)Br)=O	63
+C1CC1CN2C=C(c3c(cnc(SC)n3)C2=O)Br	5121
+C1CC1c2c(cc(c(O)c2)C(OC)=O)Br	63
+C1CC1c2cnc(N)c(Br)c2	301
+C1CC1n2ncc(c2)Br	635
+C1CCC(C1)c2cc(-c3c4ccccc4c(Br)c5c3c(C)c(C)s5)ccc2OC(C)=O	5122
+C1CCC1(c2ccc3ccccc3c2)C(CBr)=O	400
+C1C(CC1)N2CCC(=O)C(CC2)Br	1785
+C1CCCC1(c2cc(c(Cl)cc2)Cl)C(=O)CBr	400
+C1CCCCC12C(Nc3ccc(Br)cc23)=O	63
+C1CCCCC1C(=O)CBr	400
+C1CC(CCC1)C(CCBr)C(=O)NCc2c(cc(cc2Cl)OC)Cl	1224
+c12cc3c(CC(C)C3=O)c(Br)c1CCC2	63
+C1CN(CCC1)c2c(Br)cnc(c2)C	301
+C1CN(CCC1C(=O)OC)c2c3ccncc3c(c(-c4cc(Cl)ncc4)n2)Br	5123
+C1CN(CCN1c2ccc(Br)c([N+]([O-])=O)c2)C	63
+O=S(=O)(c1c(C(N)=O)[nH]c2c1ccc(Br)c2N)N3CCOCC3	1067
+C1COCCN1c2ccc3c(Br)c(ccc3n2)N	1067
+c1(F)c(Br)cc2C3(N=C(N)SCC3COc2c1)C	63
+CCC(N(C1Cc2ccc(Br)cc2C1)CCC)=O	63
+CC(=O)Nc1cc(F)c(cc1)C(CBr)=O	288
+CC(C)(C(CBr)=O)CCl	400
+CC(C)(C(CBr)=O)CO	400
+CC(C)(C)C(=O)Oc1cccc(CBr)c1	1787
+CC(C)(C)C(Nc1c(cc(cc1)Br)-c2ncccn2)=O	63
+CC(C)(C)Nc1ccc(cc1Br)[N+](=O)[O-]	63
+CC(C)(C)OC(N1CCC(CC1)n2c(nc3c2ncnc3N)Sc4c(cc5OCOc5c4)Br)=O	63
+CC(C)(C)OC(=O)N1CCCN(c2ccc3c(n2)OC(=O)C(=C3)C(CBr)=O)CC1	3178
+CC(C)(C)OC(C1=C(c2ccc(c(C)c2)C)c3c(cc(Br)cc3)C(=O)N1C)C(=O)OC	63
+CC(C)(C)OC(=O)N1C(C)CCC(C1)C(=O)CBr	400
+CC(C)(C)OC(N1CCN(CC1)c2ccc(Br)c(-c3cc(ncc3)Cl)n2)=O	301
+CC(C)(C)c1cc2C(C(CC(C)C)Cc2c(Br)c1OC)=O	63
+CC(C)(C)c1c(c(Br)c2CC(C(=O)c2c1)C)OCC(C)C	63
+CC(C)(C)c1cc(Br)c(O)cc1	63
+CC(C)(C)c1ccc(Br)c(c1)C(C)(C)C	63
+CC(C)(C)c1nn(-c2c(cccc2)C)c(N)c1Br	635
+c1cc(ccc1OC(Br)C(C(C)(C)CCl)=O)-c2ccc(cc2)Cl	2314
+CC(C)(C(CBr)=O)CF	400
+CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br	2314
+CN(C)C1CCc2c(c(Br)ccc2NC(C(C)(C)O)=O)C1	63
+c1cc(ccc1C(C)(C)C=C(CBr)F)Cl	5124
+C1CCCCN1c2ccc(cc2)C(=O)C(C)(C)Br	1788
+CC(C)C1(C(=O)c2c(C1)c3c(c(C)c2C)oc(c3)C(O)=O)Br	1788
+CC(C)CC(C(CBr)=O)C(=O)OCC	400
+CC(C)c1c(cc(cc1)Br)C=O	63
+CC(C)c1c(c(Br)cc(C(C)C)c1)O	63
+CC(C)c1cc(cc2C(C(=O)Nc12)=O)Br	63
+CC(C)c1nc(N)sc1Br	1066
+c1(c(c(ccc1NC(C)=O)Br)F)C	63
+c1c(cccc1C(=O)CBr)C#N	288
+CC(c1nnc2n1nc(cc2)C(=O)OC)c3ccc4c(cc(Br)cn4)c3	301
+CC1(C)c2c(C(C)(C)CC1)cc(c(Br)c2)CCCO	63
+CC1(C)c2cc(c(Br)cc2C(CC1)=O)C	63
+CC1(C)c2cc(cc(Br)c2OC1)C=O	63
+CC1(C)Cc2c3c(cc(c2)Br)C(C(=CN13)C(=O)OCC)=O	63
+CC1(C)C(=O)N(c2ccc(c(Br)c2C(c3c(cccc3)F)=N1)N)C	63
+CC1(C)Cc2cc(Br)cc(c2O1)C(O)=O	63
+CC1(C)c2cc(ccc2NC1=O)Br	63
+CC1(C)CCC(C)(C)c2c1cc(Br)c(CCCCCC)c2	63
+C(C(C(Br)C)=O)C(OC)=O	1785
+CCC(CO)Nc1c(Br)cncn1	1225
+c1c(Br)c(cc(Cl)c1F)NC(CC)=O	63
+CCC(c1cc(c(O)c(c1)CN)Br)=O	63
+C(C(c1cccnc1F)=O)(C)Br	504
+C(C)OC(=O)c1c(N)ccc(Br)n1	1068
+CCOC(c1cc(Br)cnc1N)=O	301
+Brc1nc(c(cc1[N+]([O-])=O)Br)CC	2315
+c1(Br)sc(N)nc1CC	1066
+CN(C)C1CCc2c(ccc(c2C1)OC)Br	63
+CN1C=C(c2c(ccc(-c3cnn(C)c3)c2)C1=O)Br	2313
+CN1C=C(c2c(ccc(c2)-c3ncccc3)C1=O)Br	2313
+COC(OC)c1c(c(Br)ncc1F)N	1068
+C(Br)c1c(OC)c(Br)cc(c1)Br	2316
+c12C3=C(C(CCC3(C)Cc1cc(OC)cc2)=O)Br	3179
+COc1ccc(CCBr)c([N+]([O-])=O)c1	1224
+c1cc(Br)c(F)c(c1OC)[N+]([O-])=O	63
+COc1ccc(c(CCO)c1)Br	63
+c1c(OC)c2c(c(c1)Br)ccc(CC)n2	1067
+Cc1c(C(CBr)=O)n(c(C)n1)C	288
+C(c1c2n(ncn2)cnc1CBr)CC	5125
+Cc1nc(O)c(cc1C(CBr)=O)C#N	288
+c1c(C)c(Br)cc(c1O)C(=O)O	63
+c1c(c(cc(O)c1F)C)Br	63
+c12CCCC(c1c(c(Br)cc2C)C)=O	63
+Brc1n2c(nc1)cc(cc2)C	5126
+Cc1nc(N)nc2N(C(C(Br)=Cc12)=O)CC	5127
+ClC(Cl)(Cl)C(NC(=O)Nc1c(cc(s1)Br)C(OC)=O)=O	1069
+Nc1c(cc(Br)c(Cl)c1)C(=O)O	63
+c1(Cl)cc(O)c(Br)nc1	1068
+Clc1cc(c(O)c([N+]([O-])=O)c1)Br	63
+Clc1c(O)ncc(Br)c1	301
+Clc1cnc(Oc2cccc(CBr)c2)cc1	1787
+Nc1c(Br)cc(Cl)cn1	301
+c1(Br)c(Cl)cc(-c2nc(ccc2)C)s1	1069
+FC(F)(F)C(C(Br)CC1CCC(F)(F)CC1)=O	1785
+FC(F)(F)C1(c2cc(Cl)c(c(c2)Cl)Cl)CCN(C1)c3nc(C)c(Br)cc3	301
+FC(F)(F)CC(C=O)Br	504
+FC(F)(F)Oc1ccccc1-c2cc(C(=O)CBr)ccc2	288
+FC(F)(F)c1n[nH]cc1Br	635
+FC(F)(F)c1cc([N+]([O-])=O)cc(Br)c1N	63
+FC(F)(F)c1c(O)ncc(c1)Br	301
+FC(F)(F)c1c(c(cc(-n2c(C)nc(c2)C)c1)Br)N	63
+FC(F)(F)c1c(c(O)ncn1)Br	1225
+FC(F)(F)c1c(F)cc(-c2cc(c(N)c(c2)F)Br)cc1	63
+FC(F)(F)c1cc(ccc1)NC(=O)CC(=O)CBr	400
+FC(F)(F)c1c(ncc(c1)Br)N2CCNCC2	301
+FC(F)(F)c1c(Br)nc(C(OCC)=O)c(N)n1	1786
+FC(F)(F)c1cc(c2cc(-c3oc4c(cccc4)c3Br)ccc2n1)OC	3180
+FC(F)(F)c1c(c(C)n(-c2ccc(cc2)CCO)n1)Br	635
+FC(F)Oc1c(ncc(c1)Br)O	301
+FC(F)c1ncnc(c1Br)O	1225
+FC1(F)CCN(CC1)c2sc(c(C3C(CCCC3)C(OC)=O)n2)Br	1066
+C(F)C(CF)(C(=O)CBr)C	400
+Fc1cc(cc(F)c1-c2c(ccc(C(OC)=O)n2)F)CBr	1787
+c1c(F)c(c(cc1NC(=O)C)F)Oc2c3c(ncc2)[nH]cc3Br	5128
+Fc1cccc(F)c1COc2cc(cnc2N)Br	301
+c1c(cc(c(C)c1)C#N)Br	63
+N1(C(=O)C)c2cc(C)c(Br)c(c2C(CCC(OCC)=O)C1)C	63
+Nc1c(cc(Br)c2CCCN(C)c12)C(=O)OC	63
+c1c(c(OC)cc(c1Br)CCN)OC	63
+Nc1ccc(Br)c(F)c1OC	63
+COc1cc([N+]([O-])=O)cc(Br)c1N	63
+n1c(nc(N)c(c1Cl)Br)SC(c2ncc3c(c2)cccc3)C	1225
+C(C)c1cc(Br)c(N)c([N+]([O-])=O)c1	63
+Nc1c(cc(cc1[N+]([O-])=O)F)Br	63
+n1cc([N+]([O-])=O)c(N)c(Br)c1	301
+Nc1c(Br)csc1C(=O)OC	1789
+Nc1nc(-c2nc(SC)ncc2)c(s1)Br	1066
+Nc1sc2C(C(CCCc2n1)Br)=O	504
+Nc1sc2c(ccc(F)c2Br)n1	5129
+C(CCC(OCC)=O)C(C(=O)c1sc(cc1)Cl)Br	504
+O(C)c1c(F)ccnc1Br	2315
+O(CC)P(OCC)(Cc1ccc(cc1)Cn2c(Br)nc3c(N)nc(nc23)OCCOC)=O	1065
+O(c1c(OCC)cc(Br)cn1)C	301
+O=C(C(=NOC)C(CBr)=O)OC	400
+C1(=O)CCCC(=O)C1Br	5130
+O=Cc1cc(c(OC)cc1O)Br	63
+O=Cc1cc(c(OC)cc1F)Br	63
+c1c(cc(c(C)c1)C=O)Br	63
+c1c(OC)c2oc(C=O)cc2c(c1)Br	3181
+O=S(=O)(C)Nc1cc(C(=O)CBr)c(cc1)F	288
+O=S(=O)(c1cc(c(c(Br)c1)O)[N+]([O-])=O)CC	63
+O=S(=O)(c1sccc1)Nc2c3c(c(O)c(Br)c2)cccc3	63
+O=S(=O)(Nc1c(cc(cc1)C(CBr)=O)Sc2ccc(F)cc2F)C	288
+O=S(=O)(c1cc(ccc1F)C(=O)CBr)N	288
+O=S(=O)(c1cc2C(=O)N(C)C(C(C)Br)=Nc2cc1)C	1070
+O=S1(=O)Nc2c3c(cccn3)c(cc2-c4ccccc14)Br	1067
+OCC1OC(C(O)C1O)n2c3nc(I)nc(N)c3nc2Br	1065
+c1(Br)c(c(cc(C(=O)c2ccccc2Cl)c1)CC)O	63
+c1c(cc2c(c1)ncc(O)n2)Br	1067
+[N-]=[N+]=NC1CCc2c(c(NC(C)=O)ccc2Br)C1	63
+Nc1c([N+]([O-])=O)cc([N+]([O-])=O)cc1Br	63
+C(CBr)(c1c(c2n(cccc2)n1)-c3cc(F)ncc3)=O	288
+Brc1c(O)nc2c(ccnc2)c1	5131
+c1(F)c(Br)cc(C)c(NC(C)=O)c1	63
+c1(C)cc(I)cnc1Br	2315
+Cc1c(c(c(c(c1)C=O)C)Br)C	63
+FC1CCC(C(C(OC)=O)C1)c2nc(C)sc2Br	1066
+C(n1nc(c(Br)c1CCCCCl)C#N)C	635
+c1(c2c(ccc1Br)N(C(C2)=O)C)Cl	63
+C(CCCC(C(=O)c1cc(OC)c(cc1OC)Cl)Br)CCCC	504
+Brc1c(OC)c(C)c(cc1C(OC)=O)OC	63
+Brc1c(cc(OCC)c(c1F)OCC)Br	63
+c1c(Cl)c(ccc1Cl)Oc2cc(Br)c(Cl)cc2O	63
+c1([N+]([O-])=O)c(C)ccc(C(CBr)=O)c1	288
+COc1cc(cc([N+]([O-])=O)c1N)Br	63
+c1(c(C(=O)O)cnc(C)c1Br)O	301
+c1(c(c(C(CBr)=O)ccc1)F)F	288
+c1(c(Br)cc([N+]([O-])=O)c(F)c1Cl)F	63
+O1c2c(CCC1)c(C)c(Br)cc2F	63
+C(c1cc(c(NC(C)=O)c(Br)c1O)[N+]([O-])=O)(=O)OC	63
+c1([N+]([O-])=O)cc(C(CBr)=O)c(Cl)cc1	288
+O=Cc1c(c(ccc1)O)Br	63
+c1c(c(O)c(cc1C(=O)OC)F)Br	63
+c1(ccc2c(n1)c(Br)cs2)C(=O)OC	5132
+c1(C)c(sc(Br)c1)COC(=O)C	1069
+c1(nc(c(c(c1)OCc2ccc(cc2F)F)Br)O)C	301
+c12c(nc[nH]1)c(c(N)cc2)Br	5133
+c1ccc2c(C(=O)N(C2=O)CCc3n(nc(C#N)c3Br)CCC)c1	635
+O1c2c(CCC1)c(C)c(Br)cc2Cl	63
+c1cncc2cccc(c12)Br	63
+c1c2c3c(cccc3)c(nc2ccc1Br)O	63
+n1c2c(nn1-c3c(O)ccc(CBr)c3)cccc2	2316
+c1c2C(C(CCCc2ccc1F)Br)=O	504
+c1c2ccc(Br)c(O)c2nc(C)c1	1067
+c1cc(Br)c(c2oc3c(c12)cccc3)C	3181
+c12cnc(cc1c3c([nH]2)ncc(c3)Br)C(=O)OC	301
+c1(c(Br)c(O)c(cc1)C(=O)C)O	63
+c1ccc(cc1C(CBr)=O)F	288
+c1(cc(c(O)nn1)Br)C(=O)OC	5134
+C(C)OC(=O)c1c(c(c([nH]1)C)Br)C	3182
+c1(C)cccc(C)c1-c2nc(Br)c(N)nc2	1786
+Brc1sc(-c2cc(c(cc2)CCCCC)F)cc1	1069
+c1c(CSc2nc3nc(c(Br)nc3c(n2)NC(C)CO)O)c(c(F)cc1)F	5135
+c1c(Cl)c(c(cc1)Cl)C=2C(=O)N(c3nc(nc(N)c3C=2)Nc4ccc(cc4)Br)C	63
+c1c(c(N)c(c(F)c1C#N)Br)F	63
+c1c(F)c(ccc1OCCCCl)C(CBr)=O	288
+[nH]1cc(C(=O)OC)c2cc(I)c(cc12)Br	1067
+Clc1cc(c(Br)cc1C)NC(C)=O	63
+c1c(c(cc(OC)c1F)Br)O	63
+C(O)(c1c(OC)ccc(Br)c1OC)=O	63
+c1c(cc([N+]([O-])=O)cc1Br)C(=O)O	63
+c1c(c(Cl)cc(C(CBr)=O)c1)OC	288
+c1c(c(c(F)cc1)C)CC(=O)CBr	400
+c1c(c(c2CC3(CCCC)CCC(C(=C3c2c1)Br)=O)C)OC	3179
+c1c(cc(cc1)CCCBr)C#N	1224
+c1c(cc2C(C(CCOc2c1)Br)=O)Br	504
+c1c(cc2c(OC(C(CBr)=O)=CC2=O)c1)Br	3178
+c1c(OC)c(-c2ncccc2)ccc1C(CBr)=O	288
+n1c(Br)c(ccc1C)O	1068
+o1c(cc(Br)c1C)C(=O)OC	3180
+c1c2c(ccc1)CC(C2)Nc3c4c([nH]cn4)nc(-n5nc(c(Br)c5C)C)n3	635
+c1cc(C(CBr)=O)c(cc1F)O	288
+C1(Nc2c(OC1)cc(C)c(Br)c2)=O	63
+c1(ccc(Br)nc1C(=O)OC)O	1068
+c1([N+]([O-])=O)c(ccc(Br)n1)O	1068
+COc1ccc(C(CBr)=O)cc1OC	288
+c1cc(OCCc2sc(Br)cc2)cc(C)c1OCC(OCC)=O	1069
+c12c(CCN1)cc([N+]([O-])=O)cc2Br	63
+c1(OC)c(Br)cc(cc1CCCC(=O)O)C	63
+c1ccccc1CN2C(C(CC)Br)=NC3=C(CCC3)C2=O	1070
+c1ccccc1CN2C(c3cccnc3N=C2C(Br)CC)=O	1070
+c1ccccc1COc2cc(cnc2N)Br	301
+c1cc(ccc1)COc2nncc3c(c(C)n(Cc4ccc(cc4)OC)c23)Br	5136
+c1ccccc1Cn2nc(C#N)c(Br)c2C	635
+c1ccccc1NC=2N(C)C(C(Br)=CN=2)=O	5137
+c1cc(ccc1)NC(=O)CC(=O)CBr	400
+c1cc(ccc1)Oc2cc(cnc2N)Br	301
+c1ccccc1S(=O)(=O)CC(CBr)=O	400
+O=S(=O)(CCCc1c(Br)c(C#N)nn1CCCC)c2ccccc2	635
+c1cc(ccc1)S(=O)(=O)N(C)CC(c2cc(Cl)ccc2)CCCBr	1224
+O=S(=O)(c1ccccc1)n2cc(Br)c3ccc(F)cc23	3182
+c1cc(ccc1CN2C(SCC)=NC(=C(C2=O)Br)C)-c3c(C#N)cccc3	3183
+c1cc(ccc1CN2C(CCC)=NC(=C(Br)C2=O)CC)-c3c(C#N)cccc3	3183
+Cc1ncccc1-c2cc(Br)c(cc2)OC	63
+c1ccccc1COCc2nc(N)nc(c2-c3cc(Br)c(N)cc3)N	63
+c1cc(ccc1OC)-c2ccc3c(ccc(OC)c3Br)c2	63
+c1cc(ccc1-c2cc(Br)c(OC)cc2)C(=O)OCC	63
+c1cc(ccc1CCC(CBr)=O)Br	400
+c1cc(ccc1C#N)OCCCCCOc2ccc(cc2)-c3c(sc(n3)C)Br	1066
+c1cc(ccc1Oc2cc(cnc2N)Br)C#N	301
+c1cc(ccc1C(CBr)=O)S(=O)(=O)C	288
+c1cc(ccc1C(C(Br)c2c(cccc2F)Cl)=O)F	5138
+CC(C)(c1cc(Br)c(CC(C)CCl)cc1)CCCC	63
+CC(C)CC(c1cc(c(cc1)O)Br)C(OCC)=O	63
+c1cc(ccc1NC(=O)C)C(=O)C(CC)Br	504
+c1cc(ccc1C)C2C(C)(C)Oc3c(C)c(C)c(Br)c(c23)C	63
+c1cc(ccc1C(C)C)C2COc3c(c(c(c(C)c23)Br)C)C	63
+c1cc(ccc1C)CC(OCC)CBr	1224
+C(OCC)(Cc1ccc(c(Br)c1)O)=O	63
+c1cc(ccc1CCC(CBr)=O)[N+]([O-])=O	400
+c1cc(ccc1CC(C(=O)c2cccc(Cl)c2)Br)Cl	504
+c1cc(ccc1CCc2cc([nH]c2Br)C(=O)O)Cl	5139
+c1cc(ccc1Cc2c(cc(c(Br)c2)OC)C)C	63
+c1cc(ccc1F)Cc2ccc(Br)o2	5140
+c1cc(ccc1Cl)Oc2cc(c(cc2)C(CBr)=O)CCC	288
+c1cnccc1CNc2nc3c(nc(Br)n3Cc4ccc(cc4)CO)c(N)n2	1065
+c1cc(ccc1N2N(C)C(CBr)=C(C3CC3)C2=O)F	3184
+c1cc(ccc1N2C(=O)c3c(N=C2C(Br)C)cccc3)F	1070
+c1cc(ccc1F)N2C(C=CN=C2C(C)Br)=O	1070
+c1cc(ccc1C(CBr)=O)NC(=O)C	288
+c1cc(c(Br)cc1CCCC)NC(C)=O	63
+c1c(Br)c(ccc1C(=O)OC)O	63
+c1c(ccc(c1Br)O)C(=O)C	63
+C(OC(CCCc1ccc(c(Br)c1)O)=O)C	63
+c1cc(cc(Br)c1OC)OC(C)=O	63
+c1cc(ccc1OC)-c2c3c(-c4cc(Br)sc4C3)n[nH]2	1069
+c1cc(ccc1OC)-c2nc(C)oc2Br	5141
+c1c(OC)c(cc(-c2sc(c(C)c2C)C(=O)OC)c1)Br	63
+c1cc(ccc1OC)CN2C(=O)N(CCC)C(=C([N+](=O)[O-])C2=O)CBr	5142
+Nc1ccc(cc1Br)OC	63
+FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C	2314
+c1cc(ccc1C(CBr)=O)OCCC	288
+c1cc(ccc1Oc2ccc(cc2)[N+]([O-])=O)CBr	2316
+C1CCCCC1(Br)C(=O)c2ccc(cc2)SC	1788
+c1([N+]([O-])=O)cc(Br)c(cc1)O	63
+Nc1ccc([N+]([O-])=O)cc1Br	63
+c1cnccc1-c2c(ncc(N(C)C)n2)Br	1786
+c1cc(ccn1)-c2nn(cc2Br)C	635
+COc1c(Br)cc(Br)cn1	301
+c1ccc2c(c1)c(c3c(cccc3)c2-c4ccc(C)c5c4cccc5)Br	63
+c1ccccc1-c2c(ccc(Br)c2Cl)SC	63
+c1ccccc1-c2c3c(sc2Br)nc(nc3)Cl	1069
+c1cc(ccc1)-c2n3ccc(Br)cc3c(c2Cc4cccc(F)c4C)C(=O)OC	5143
+c1cc(ccc1)-c2c(Br)c(Cl)nc(n2)N	1225
+c1ccccc1C(=O)C=2C(N(C(=O)N(C=2CBr)C)C)=O	3184
+CC(C)(C(=O)C(=O)O)c1ccc(cc1)Br	63
+c1cc(ccc1)C2(CCC2)C(=O)CBr	400
+c1cc(ccc1)C2CN(C)CCc3c2sc(c3Br)CO	1789
+CC(C)C(C=1N(C(=O)c2nc3c(nc2N=1)cccc3)Cc4ccccc4)Br	1070
+c1ccccc1CN2C(C(CC)Br)=Nc3onc(C)c3C2=O	1070
+c1ccccc1COc2c(C)cc(c(C=O)c2)Br	63
+c1ccccc1COc2ccc(O)c(c2)Br	63
+c1ccccc1COc2c(c(cc(Br)c2)C)N	63
+c1cc(ccc1)Cn2c3nc(N(C)C)nc(N)c3nc2Br	1065
+c1cc(ccc1)Cn2c3nc(nc(N)c3nc2Br)NCCOC	1065
+c1(cc(Br)cnc1OC)OC	301
+c1(C)c2c(c(ncc2Br)O)ccc1	301
+c1cnccc1-c2nc(ccc2Br)NCC(N)Cc3ccccc3	301
+c1(c(nn2c(ncc2Br)c1)Cl)C	3185
+n1c(ccc2ncc(n12)Br)F	3185
+n12c(c(Br)cn1)nc(Cl)cc2	3186
+n12c(c(Br)cn1)nc(NCCOC)cc2	3186
+n1[nH]c2cnc3c(cc(OC)c(c3)OC)c2c1Br	5144
+n1(C)ncc(C(CBr)=O)c1	288
+c1c(cc2c(C(=O)O)n[nH]c2c1)Br	63
+n1c(C#N)c(Br)c(C)n1CCCC	635
+c1(c(nc(nc1CC)N)N)Br	1225
+Nc1c(nc(OC)cc1)Br	1068
+Cc1nccc2c3cc(ccc3[nH]c12)Br	63
+n1ccnn1-c2c(C(N3CC(CCC3C)C(CBr)=O)=O)cccc2	400
+n1n(c(C)c(Br)c1C#N)C	635
+n1nsc(c1C)C(=O)CBr	288
+c1(cc(Br)c(Cl)s1)C(=O)OC	1789
+c1(C(=O)O)cc(Br)c(C)s1	1789
+C(Br)CCCCOCCCCBr	114
+C(Br)CCCOCCCBr	114
+C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O	114
+C(C)OC(C1(Oc2cc(ccc2CC1)OCCCBr)CC)=O	114
+C(CCCCCCCCCCCCBr)CCCCOC(C)=O	114
+C(CCCCBr)SCC(=O)N(C)CCCC	114
+n1c(c2c(nc1NCc3ccc(c(Cl)c3)Cl)ncn2CCCCBr)O	114
+C(CCCBr)CN(C(Nc1c(F)cc(cc1)F)=O)CCCCCCC	114
+C(CCCCBr)(NCCCCCBr)=O	114
+BrCCC1CCCOC1	114
+BrCCCC1CCOC1	114
+Nc1c2n(c(CCCBr)cc2Br)ncn1	114
+C(c1c(Cl)ccc([N+]([O-])=O)c1)Br	302
+C(Br)c1cc(c(Cl)cc1F)OC	302
+C(c1ccc(F)c(F)c1C)Br	302
+C1CC(CC1CBr)CC	114
+C1CCCCC1OCCBr	114
+C1CC(CCC1CCCCC)CBr	114
+c1nc(ncc1)NC2CCC(CC2)CCBr	114
+C1CC(CCC1c2ccc(cc2)-c3ccc(cc3)CBr)CCCCC	302
+C1CC(CCN1c2nc(CN3CCCC3=O)nc4c2c(cs4)-c5ccccc5)CBr	114
+C1CC(CCC12C(=O)C(c3cc(ccc3)C)=C(O2)c4cn5ncnc5cc4)Br	5145
+C1COCCC1Nc2c3c(n(nc3)CC)nc(c2CNC(=O)c4ccc(cc4)CCCCCCCCBr)CC	114
+CC(C)(Cc1ccc(cc1)CCBr)C(=O)OC	114
+CC(C)(C)OC(=O)COCCCCBr	114
+CC(C)(C)OC(=O)NC(CCBr)C(OC)=O	114
+CC(C)(C)OC(NC(Cc1cnccc1)CBr)=O	114
+CC(C)(C)OC(N1CC(CC1)NC(=O)COCCBr)=O	114
+CC(C)(C)OC(NC(CCC(=O)OC1CCCCC1)CBr)=O	114
+CC(C)(C)OC(NC(C)CCCBr)=O	114
+CC(C)(C)OC(NC(CBr)C)=O	114
+CC(C)(C)[Si](C)(C)OCc1cc(cc(c1)CBr)Br	302
+CC(C)(CC(Nc1ccc(cc1)CBr)=O)C=2C(=O)C(C)=C(C)C(=O)C=2C	302
+CC(C)(c1nc(CBr)ccc1)OC	1790
+CC(C)c1n(CCCCCBr)c2ccccc2n1	114
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cc(CBr)ccc4)nc12	302
+CC(C)n1ncc2c(cc(nc12)-c3ccc(cc3)CBr)C(NCc4c(nc(C)cc4C)O)=O	302
+CC1(C)C(N(CCBr)c2cc3c([nH]c(n3)-c4cc([nH]n4)C)cc12)=O	114
+BrCCCSCCCCCCCCCCCC	114
+Cc1cccc(C)c1COc2cccc(c2C)CBr	302
+Clc1cc2c(cc1)C(CBr)CC2	114
+c1c(C)cc(nc1Cl)Br	5146
+FC(F)(F)c1cc(CBr)c(-c2c(OC)ccc(c2)-c3ccc(C(=O)OC)cc3C)cc1	302
+N1(C(=O)C)c2cc(C)cc(C)c2C(C1)CCBr	114
+O(C)C(c1sc(cc1)C#CCBr)=O	5147
+O(C)c1c(c(O)c2C(OCc2c1C)=O)CC=C(CBr)C	5148
+O(CC1C(CC=CC1)CBr)C(=O)C	114
+O(c1c(cccn1)CBr)C	3187
+O1C(c2c(cc(cc2)CCBr)C1)=O	114
+BrCc1ccnc(c1)C(=O)N	302
+O=C(c1cc(cc(C(=O)OC)n1)CCCBr)OC	114
+c1ccccc1COC(=O)CN2C(c3c(cc(N(S(=O)(=O)C)CCBr)cc3)C2=O)=O	114
+Oc1ccc2C(CCCCCCBr)=C(CCCc2c1)c3cc(ccc3)O	114
+S(c1ccc(cc1F)CBr)C	302
+c1(ccc(C)n1C(C)CBr)C	114
+c1(CBr)c(Cl)nc2c(cccc2)c1	3187
+c1(cc(ccc1F)Br)COCCCCBr	114
+c1(cc(ccc1[N+]([O-])=O)CBr)OC	302
+c1(cccc(C)c1CCCBr)C	114
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCBr	114
+c1(nc(CBr)ccc1)N2CCCC2=O	1790
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4CCC(CC4)(c5ccc(cc5)Br)CBr	114
+c12c(NC(=O)N1CCCBr)cc(C=O)cc2	114
+C1CCc2c1cc(c(I)c2)CBr	302
+c1[nH]c2c(c1CCCBr)cc([N+]([O-])=O)cc2	114
+c1c(C)c(c(cc1-c2nc(O)c3c(OC)cc(OC)cc3n2)C)OCCCBr	114
+c1(cc(cc(Cl)c1NCC(OCC)=O)CCBr)Cl	114
+c1c(OC(C)=O)cc(cc1)CCCCBr	114
+c1c(OC)c2oc(CBr)cc2c(c1)Br	5149
+c1c(OC)ccc2c(c(C(CCBr)CCCC)sc12)C	114
+c1c(OCCBr)cc(c(OC)c1)OC	114
+C(c1c(C#N)ccc(CBr)c1)#N	302
+c1c(c([N+]([O-])=O)ccc1)CCBr	114
+c1c(cc(CBr)c(F)c1)Br	302
+c1c(ccc(OCCBr)c1F)F	114
+c1cc(CCBr)c(cc1F)[N+]([O-])=O	114
+c1cc(CBr)ncc1Br	1790
+c1cc(c(CBr)cc1Br)OCc2cccs2	302
+c1cc(cc(C)c1OCC(OCC)=O)CBr	302
+c1cc(ccc1)-c2nc(nc(OC)n2)-c3c(Cl)ccc(CBr)c3	302
+c1cc(ccc1)-c2ncc(N(C(C)C)CCCCBr)nc2-c3ccccc3	114
+c1cc(ccc1)C2=C(c3c(CCC2)cc(O)cc3)CCCCCCBr	114
+c1cc(ccc1)Cn2nc(c(c2)CBr)[N+](=O)[O-]	5150
+c1cc(ccc1-c2c(sc(n2)NC(=O)C)-c3ccc(cc3)S(=O)(=O)C)CCCBr	114
+c1cc(ccc1C#N)CCCBr	114
+c1cc(ccc1C)-c2oc(C)c(n2)Cc3cccc(CBr)c3	302
+c1cc(ccc1CCCBr)CCc2nc(NC(=O)C)sc2	114
+c1cc(ccc1OCCOCc2cc(ccc2)C#N)CCBr	114
+c1cc(ccc1CCc2nc(NC(=O)C)sc2)CCBr	114
+c1cc(ccc1CCCOCc2ccccc2)CBr	302
+c1cc(ccc1NC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)CBr	302
+c1cc(ccc1CBr)OP(OCC)(OCC)=O	302
+C1CC(CCC1)C(CBr)n2c3cc(F)c(cc3nc2-c4ccc(cc4)Cl)F	114
+c1cc(ccc1F)CCc2c(cc(CBr)cc2)C(OC)=O	302
+c1cc(ccc1F)N2CC(CBr)CC2=O	114
+c1cc(ccc1OC(=O)C)CBr	302
+c1cc(ccc1CCCBr)OCC(=O)OC	114
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=O)(=NCCBr)C	114
+c1ccccc1COc2ccc(cc2)SCCCBr	114
+c1ccccc1-c2ccc(cc2)CCCCCBr	114
+c1ccccc1-n2cc(C)c(CBr)n2	1790
+c1ccccc1C(N2C(CC(C2)(CCBr)COC)=O)C	114
+c1ccccc1COC(N2CCCCC2CCCBr)=O	114
+c1ccccc1COCCCCCBr	114
+c1ccccc1COc2ccc3c(c2)OC(=O)C=C3CCBr	5151
+c1ccccc1OCCCOCCOCCCBr	114
+O1CC2(COC1(OC2)C3CCC(CC3)C=C(Br)Br)CCC	5152
+BrC1(Br)CC1(CCOC(C)OCC)Br	3188
+BrC1(Br)CC1(COCCCCCC)Br	3188
+C1CC1(c2c(Cl)nc(Cl)cc2)C#N	5153
+C1CC12C(Nc3c(cccc23)F)=O	5154
+c1(C=O)cc(c(F)cc1)OCCBr	5155
+BrC(Br)COc1cc2c(cc1OC)ncnc2Nc3cc(ccc3)Br	1791
+BrC(Br)COc1ccc([N+](=O)[O-])cc1-n2cccc2	1791
+c1(cc(ccc1)Nc2c3c(cc(OC)c(OCCBr)c3)ncn2)Br	3189
+c1cccn1-c2c(OCCBr)ccc([N+](=O)[O-])c2	3189
+FC(F)Oc1n(C)nc(-c2cc(C=O)c(cc2Cl)Cl)c1Cl	5156
+O=Cc1ccc(C(=O)O)cc1F	5157
+Nc1nc(c(-c2cc(F)ncc2)s1)-c3cc(C)ccc3	5158
+N1c2c(CC1=O)cc(Br)cn2	5159
+c1ccccc1S(=O)(=O)OCCC2(CC2(Br)Br)Br	1226
+Nc1c(c2OCC3C(c2c(F)c1)C3)C(=O)OC	5160
+BrC1(Br)C(CCO)(Br)C1	5161
+C(CCOCC=1CC=1)CCC	5162
+c1cc(ccc1)C=2C(=C(C#N)C(N(c3c(cccc3)C)C=2)=O)Cl	5163
+CC1(C)C(C)(C)OB(O1)C=2C(N(C)c3c(cnc(n3)NC)C=2)=O	5164
+C(C=1N=C2SC=C(C)N2C(C=1Br)=O)(C)N=[N+]=[N-]	5165
+CC(C)(C)[Si](C)(C)OC1CC(=C)C(=C1C)CC=C	5166
+C(c1ccc(c(F)c1OC)F)(=C)CC	5167
+c1(OCC#CC)c2ccccc2c(C=O)c(C)c1	3190
+c1cc(ccc1Cc2c(Cl)cc(CCCOCC#CC)c(Br)c2)OCC	5168
+c1cc(ccc1OCC#CC)C(=O)OC	3190
+O(CC(=C)Br)CCCCCC	5169
+CCN(CC)C(CBr)=O	1227
+c1(cc(I)ccc1NC(CBr)=O)C(=O)c2ccccc2Cl	829
+C1CN(CCO1)C(CBr)=O	1227
+CC(C)(C)OC(NC(C)(C)CN(c1ccccc1C)C(=O)CBr)=O	2317
+CCCCN(C)C(=O)CBr	1227
+c1(cc(Cl)c(OC)cc1OC)NC(CBr)=O	829
+Clc1cc(c(cc1)C(=O)O)NC(CBr)=O	829
+NC(=O)c1c(sc2c1CCCC2)NC(CBr)=O	3191
+Clc1c(C(=O)O)c(ccc1)NC(CBr)=O	829
+c1(OC)cc(cc(OC)c1OC)NC(=O)CBr	829
+c1ccccc1CNC(=O)CN2CCc3c(cc(OC)c(c3)OC)C2Cc4cc(c(cc4)O)OC	5170
+c1c2c(ccc1C(CBr)=O)N(CC2)C(=O)C	1792
+N(CCOCCOCCOCCNC(=O)CBr)C(CCCCC(=O)O)=O	5171
+c12c(C(=O)NCCO)c(sc1CCCC2)NC(CBr)=O	3191
+BrCC(Nc1cccc(c1)F)=O	829
+c1ccccc1Oc2c3c(ccc2Br)OCC(=O)N3	5172
+c1cc(ccc1)COC(Nc2ccc(cc2)CN3c4c(N(C5C(C3=O)CCC5)C(CBr)=O)cccc4)=O	2317
+CC(C)N(c1ccc(cc1)C)C(=O)CBr	2317
+C1CC(CCC1CC(=O)OCC)c2ccc(cc2)C(CBr)=O	1792
+c1cc(ccc1)CN(C(C)C)C(CBr)=O	1227
+c1ccccc1COc2nn3c(c2)CN(C(=O)CBr)CC3	1227
+CC(C)(C)OC(=O)NCCCNc1scc(C(=O)c2c(cccc2)C)n1	5173
+CC(C)(C)OC(=O)N1CC2(C1)CCN(CC2)C(CBr)=O	58
+CCOC(OCC)CCN(C(=O)CBr)CC1OCCO1	58
+O=S(=O)(c1ccccc1-c2ccc(c(c2)F)NC(=O)CBr)C	26
+c1(OCCC)ccc(C(=O)CBr)cc1-c2nc(c3c(c(nn3C)CCC)n2)O	94
+CC(C)c1ccc(cc1)-c2c(cccc2C)C(Nc3cnc(N4CCN(CC4)CC(N)=O)cc3)=O	1228
+c1(cc(c2c(c(sc2n1)C(=O)N)N)C(=O)OCC)C	3192
+Cc1cc(n[nH]1)Nc2c(cnc(Nc3c(C)cc(c(c3)C)C4CCCCN4CC(N)=O)n2)Cl	1228
+Cc1cccc(C)c1-c2nc(C)c(c(N3CCN(C(C3)C)CC(=O)N)n2)COc4cc(ccc4C)C(C)C	1228
+c1cc(OCC(N)=O)c(C#N)cc1Br	3193
+c1cc(ccc1Br)C2CC2NCC(N)=O	1229
+C1CN(CCN1c2c(cccc2)F)C(=O)c3cn(CC(=O)O)c4cc(ccc34)Cl	256
+c1cc(ccc1Cl)C(Nc2scc(n2)CC(N3CCN(CC3)C(CBr)=O)=O)=O	10
+CC(C)(C)OC(=O)N1CCC(CC1)OCC(=O)O	337
+FC1(F)Oc2c(O1)cc(N(C(=O)CBr)CC)cc2	429
+O=C(CBr)N(c1ccc2nc(oc2c1)C)C	3194
+O(c1cccnc1Br)CC(=O)OC	1456
+C(CSC)N(CCSC)CC(OC)=O	303
+C1(N)Cc2ccccc2N(CC(=O)OC)C1=O	933
+c1c2CCCC(N(C)Cc3n(c4c(n3)cccc4)CC(=O)OC)c2ncc1	1457
+C1C2CC3CC(CC1C3)C2OC(=O)N4CCC(CC4)(COCC(=O)OC)c5ccccc5	337
+c1cc(ccc1)COC(N2CCC(N(CC(OC)=O)C3CCCCC3)C2)=O	303
+C1CC(CCC1O)Nc2nc3c(c(ccc3cn2)C)OCC(=O)OC	1456
+FC1(F)CCN(CC1)CC(=O)OC	303
+C1CC1NC(c2cc(-c3cc4c(cc3)n(nc4)CC(OC)=O)c(C)c(F)c2)=O	1458
+C1CN(CCC12CCc3ccccc23)CC4C(N(CC(OC)=O)c5c(cccc5)C4)=O	933
+C1CN(CCC1CN(CC(=O)OC)C2CCC2)c3c4c(csc4ncn3)-c5ccccc5	303
+C(CC1C(CCCCC1)=O)(OC)=O	5174
+C1CC(CCN1CC(=O)OC)O	303
+C1CN(CCC1Oc2ccc(cc2)-n3c(nc4cnccc34)-c5nonc5N)CC(=O)OC	303
+C1c2c(cccc2CCC1)OCC(OC)=O	52
+CC(C)(C)OC(=O)N1CC(N(Cc2ccc(cc2)Cl)CC(OC)=O)CC1	303
+CC(C)(C)OC(N1CC(N(C(=O)C12COCCOC2)CC(OC)=O)c3cccc(F)c3)=O	584
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(-c3ccc(cc3)OC)c(n2CC(OC)=O)-c4ccc(cc4)OC	5175
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC(=O)OC)C	52
+CC(C)(C)OC(=O)NC1C(=O)N(CCCC1)CC(OC)=O	584
+CC(C)(C)OC(=O)NC1CN(c2cc(OCC(OC)=O)ccc2)CCC1	52
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(cc2)OCC(OC)=O)c1-c3ccc(cc3)C)=O	52
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)OCC(=O)OC	52
+CC(C)NCC(OC)=O	1459
+CC(C)C1C(=O)N(CC(OC)=O)c2c(c(C(C)C)ccc2)O1	933
+c1(C(=O)C)c(ccc(OC)c1)OCC(OC)=O	52
+Clc1c([N+]([O-])=O)cc(OCC(OC)=O)cc1	52
+Clc1ccc(c(C=O)c1)OCC(OC)=O	52
+FC(F)(F)C1CCN(CC1)CC(=O)OC	303
+FC(F)(F)c1c(Br)ccc(NCC(=O)OC)c1	1230
+FC(F)(F)c1ccc(cc1)-c2nc(n(-c3ccc(cc3)NCC(=O)OC)c2)Cc4ccc(cc4)Br	5176
+FC(F)(F)c1cc(ccc1)N2C(=O)N(C(C3=C2CCCC3=O)c4ccc(cc4)C#N)CC(=O)OC	5177
+N#Cc1ccccc1OCC(OC)=O	52
+C(C(=O)OC)NCCNC(c1nc(c(nc1N)N)Cl)=O	1459
+Nc1cc(OCC(OC)=O)ccc1F	52
+c1cc(c2c3c(n(c2c1)Cc4c5ccccc5ccc4)cccc3OCC(OC)=O)C(=O)N	52
+O(CC(=O)OC)Cc1nccs1	337
+Clc1cc(cc(Cl)c1)-c2cn(CC(=O)OC)cc2C#N	2318
+c1cccc(c1OCC(OC)=O)Oc2cc(ccc2[N+](=O)[O-])F	52
+C=CC(c1c(OCC(OC)=O)c([N+]([O-])=O)ccc1)C	52
+c1(cccc(OCC(OC)=O)c1)Br	52
+c12c(cc([N+]([O-])=O)cc1)ccn2CC(OC)=O	256
+Cc1cc(cc(C)c1OCC(OC)=O)Br	52
+Cc1cc(cc(C)c1OCC(OC)=O)C=O	52
+c1(cc(C)cc(C)c1OCC(OC)=O)-c2occc2	52
+c1c(CO)c(c(OCC(OC)=O)cc1)Cl	52
+c1(cc(cc(Cl)c1)Oc2c(CC)nn(c2CC)CC(OC)=O)Cl	764
+c1c(c(OCC(OC)=O)c([N+]([O-])=O)cc1)CC=C	52
+c1c(c(ccc1)F)-c2ncc(OCC(OC)=O)cc2	1456
+c1c(OCC(OC)=O)c(cc(c1)C(=O)C)Br	52
+C1Cc2c(cccc2)N1CC(=O)OC	2319
+O(CC(=O)OC)c1cccnc1	1456
+c1cc(ccc1)-c2cc(nc3ccccc23)-c4ccc(cc4)OCC(OC)=O	52
+c1cc(ccc1)C(Oc2cc(c(cc2)OCC(OC)=O)[N+](=O)[O-])=O	52
+c1cc(ccc1)C=CC(=O)Nc2cc(ccc2)OCC(OC)=O	52
+c1cc(ccc1)COc2cc(OCC(=O)OC)cc(c2[N+](=O)[O-])OC	52
+c1cc(ccc1)Cc2c3cc(ccc3n(C)c2C)-c4ccc(cc4)OCC(OC)=O	52
+c1ccccc1Cn2c3c(c4c(OCC(=O)OC)cccc24)c(ccc3)C(N)=O	52
+c1cc(ccc1)Cn2c3cc4CCCCc4c(OCC(=O)OC)c3c5c(cccc25)C(N)=O	52
+c1cc(ccc1-c2c3c(n(C)c(-c4ccccc4)c3C)ccc2)OCC(=O)OC	52
+c1cc(ccc1-c2nc(-c3ccc(cc3)F)n(CC(=O)OC)n2)F	5178
+c1cc(ccc1-n2cccn2)Cc3c(c4c(nc3O)c(Cl)ccc4OCC(=O)OC)C	52
+c1cc(ccc1Cc2c(nn3c2nc(cc3C)C)CC)OCC(OC)=O	52
+c1cc(ccc1N(C)c2c3c(nc(C)n2)cccc3)OCC(OC)=O	52
+c1cc(ccc1OCC(OC)=O)N=Nc2ccc(cc2)CO	52
+c1cc(ccc1OCC(=O)OC)CCCO	52
+c1cc(ccc1OC)C(=O)c2ccc(cc2)OCC(=O)OC	52
+c1cc(ccc1Cl)Oc2c(C)n(c3ccc(SC)cc23)CC(OC)=O	256
+c1cc(ccc1SC)C(C(C)CC(OC)=O)=O	5179
+c1ccccc1CN2C(=O)c3ccccc3C(=N2)Cc4c(C)n(c5ccc(Cl)cc45)CC(OC)=O	256
+c1ccccc1COc2ccc3c(c(C(C)=O)nn3CC(OC)=O)c2	1458
+c1cc(ccc1)Cc2cn(CC(OC)=O)c3c2cccc3	256
+c1ccccc1Cn2c(ccc2-c3cc4ccc(cc4cc3)OCC(OC)=O)-c5ccccc5	52
+c1ccccc1Cn2c(cc3c2cccc3OCC(OC)=O)C	52
+c1cc(ccc1)OCC(=O)c2c(c3ccccc3o2)C	702
+Ic1cc(CO)nc(Cl)c1OCC(C)=C	5180
+C=C(C)COc1cc(C)cc(C)c1C	2320
+c1cc(ccc1)-c2cc(ccc2)C(CC(=C)C)C(O)=O	5181
+c1cc(ccc1Br)OCC(=C)C	2320
+c1cc(ccc1OCCOCCCC)-c2cc3c(cc2)N(CC(C)=C)CCCC(=C3)C(=O)OC	5182
+c1ccccc1COc2ccc(Br)c(OCC(=C)C)c2	2320
+FC(F)(F)c1cc(c(c(SC)c1)C(NC2CCCCC2N3CCC(O)C3)=O)OC	1793
+C(C(CCCC)COCCCCCCCCCCO)C	176
+C(#N)CC(CCCC)CC	830
+C(COc1ccc(cc1[N+]([O-])=O)C)(CCCC)CC	8
+C(c1cscc1)C(CCCC)CC	5183
+c1(nn(cc1)CC(Nc2cccc(c2)F)=O)[N+]([O-])=O	1460
+c1cc(ccc1OCC(c2cccnc2C)=O)CC(=O)OC	702
+COc1cccc(c1)SCC(c2cccnc2)=O	5184
+c1cc(ccc1CC(OCC(c2cccnc2)=O)=O)OCc3ccc4ccccc4n3	1231
+n1c(Br)cc(-c2csc(n2)Nc3cccc(C)c3)cc1	354
+C1CC1(c2c(Cl)c(C(=O)OC)ccc2)C#N	934
+c1cc2c(OCCO2)c(c1C(OCC)=O)[N+](=O)[O-]	3195
+C1COCCN1c2cc(c([N+](=O)[O-])cc2)OCCBr	8
+CC(C)(Oc1ccc(cc1C)OCCBr)C(OC)=O	8
+CC(C)(C)C1CCC(CC1)c2cccc(NC(=O)Cc3cc(c(cc3)OCCBr)OC)c2	8
+CC(C)(C)OC(NCCOc1ccc(cc1OC)N2C(c3cc(-c4ccc(cc4)Cl)cn3CC2)=O)=O	5185
+CC(C)(C)OC(=O)N1CCOc2ccc(Br)cc12	5186
+CC(C)(C)c1cc(cc([N+](=O)[O-])c1OCCBr)C(=O)C	8
+CC(C)(Oc1c(C)cc(c(C)c1)SCCBr)C(=O)OC	636
+c1c(cc2c3c4c(ccc3n(CCBr)c2c1)C(CC4)=O)C(C)=O	935
+C1CC1(C#N)c2c(Cl)cc(cc2Cl)Cl	934
+c1c(ccc(Cl)c1F)OCCBr	8
+FC(F)(F)C(=NOCCBr)c1ccccc1	1071
+FC(F)(F)COc1ccccc1OCCBr	8
+FC(F)(F)c1nc(cs1)-c2ccccc2OCCBr	8
+FC(F)Oc1ccc(cc1-c2c(NC(=O)c3c4n(cccn4)nc3)cn(n2)CCBr)Cl	338
+C(#N)C(C#N)=C1N(CCN1CCCO)CCBr	5187
+C1CC1(c2ccnc(c2)Br)C#N	934
+Nc1ccc(OCCBr)cc1[N+]([O-])=O	8
+O(C(=O)CCCN(CCC1Cc2c(cccc2)OC1)CCBr)CC	28
+O=S(=O)(Cc1c(cc(C(Nc2ccc(Cl)c(-c3ccccn3)c2)=O)cc1)OCCBr)C	8
+O=S(=O)(N1CCOc2ccc(cc12)C(OC)=O)c3cc(Cl)ccc3OC	5188
+c1cc2c(cc1C(OCC)=O)OCCO2	3195
+c1c(c(ccc1)OCCBr)Br	8
+c1([N+]([O-])=O)cc(OCCBr)c(cc1)C#N	8
+C1CC1(c2cc([N+]([O-])=O)ccc2)C#N	934
+c1(OCCBr)cccc2nc(C)ccc12	8
+c1(OCCBr)cccc2c1ccc(C#N)n2	8
+c1(cc(cc(Cl)c1OCCBr)Cl)Cl	8
+c1cc(OCCBr)cc([N+]([O-])=O)c1OCC(OC)=O	8
+C1CC1(C(Nc2c(C)cc(cc2)Br)=O)C(OCC)=O	5189
+c1cc(c(cc1Br)C=O)OCCBr	8
+c1cc(OCCBr)c(N)cc1Br	8
+C1CC1(c2ccc(Br)cc2F)C#N	934
+c1c2cccnc2ccc1OCCBr	8
+c1cc(ccc1)C(=NOCCBr)CC(C)C	1071
+c1cc(ccc1)CC2COC(=O)N2C(CC(c3nocc3)c4ccc(cc4)OCCBr)=O	8
+C1CC1(c2ccc(cc2)Br)C#N	934
+c1cc(ccc1Br)OCCBr	8
+c1cc(ccc1C(c2cccs2)=O)C3(CC3)C#N	934
+c1cc(ccc1OCCBr)C=O	8
+C1CC1(c2ccc(cc2)C(O)=O)C#N	934
+c1cc(ccc1F)-c2cc(C(=O)OCC)n(n2)CCBr	338
+c1cc(ccc1C#N)OCCBr	8
+c1cc(ccc1OCCBr)CC=2c3ccc(cc3OC(=O)C=2c4c(Cl)cc(Cl)cc4)OC	8
+c12ccccc1OCCN2	5190
+c1ccc(cc1C(=O)OC)OCCBr	8
+c1ccccc1COc2cc(N3C(=O)C4(CC4)c5c(nc(-c6ccc(OC)c(c6)F)nc35)C)ccc2	5191
+c1c(OC(CCBr)C(OC)=O)ccc([N+]([O-])=O)c1F	289
+C1OCCCC1CCn2c(OC)nc3c2nc(nc3N)OC(CCC)C	5192
+C(OC(CC1c2c(cc(cc2)OCCCBr)CC1)=O)C	8
+C(c1c(OCCCBr)c(cc2CCC(C)(Oc12)CCC(OCC)=O)C(=O)C)CC	8
+C(c1c(ccc(c1OCCCBr)C(=O)C)OCC(OCC)=O)CC	8
+CC(C)(C)OC(N1CCN(CC1)CCCBr)=O	28
+CC(C)(C)OC(=O)n1cc(C2(CCC2)C#N)c3cc(C(OC)=O)ccc13	5193
+CC1(C)C(c2c(C1)c(ccc2)OCCCBr)N3CCCCC3	8
+C1CCC1(c2cccc(OC)c2)C#N	3196
+c1c(Cl)cc(cc1Sc2n(CCCBr)c3c(n2)c(ncn3)N)Cl	637
+Clc1ccc2c(cc(C(=O)OCC)n2CCCBr)c1	339
+FC(F)(F)COc1c(Br)cc(C2(CCC2)C(=O)OCC)cc1Cl	5194
+FC(F)(F)c1c(cnn1-c2cccc(-c3cc(F)ccc3CCc4ccc(cc4C)OCCCBr)n2)C(=O)OCC	8
+FC(F)(F)c1cc(ccc1)N=C2c3ccccc3N(c4ccc(cc4)OCCCBr)C2=O	8
+FC(F)(F)c1c2c(c(c(cc2)OCCCBr)CCC)on1	8
+CN(c1cc(ccc1)OC)CCCBr	936
+C(Oc1ccc(N)c([N+]([O-])=O)c1)CCBr	8
+O(CC)C(C(O)c1cccc(OCCCBr)c1)=O	8
+C1CCOc2c(cc(C=O)cc2O1)Cl	5195
+O=S(=O)(N(CCCBr)CC)c1ccccc1[N+](=O)[O-]	831
+O=S(=O)(N(CCCBr)CCC)c1c([N+](=O)[O-])cccc1	831
+C(COc1ccccc1NC(c2c3c([nH]cc3)ccc2)=O)CBr	8
+Cc1cc(cc(C)c1OCCCBr)-c2nc3c(o2)nc(Cc4ccc(cc4)Cl)nc3OCCC	8
+C(Oc1c(Cl)cc(CO)c(c1)OC)CCBr	8
+C(Oc1cccc([N+]([O-])=O)c1)CCBr	8
+C(Oc1ccc(c([N+]([O-])=O)c1)C)CCBr	8
+C(Oc1cc([N+]([O-])=O)ccc1Cl)CCBr	8
+C(COc1cc(nc2ccc(cc12)OCCCC(OCC)=O)C)CBr	8
+C1C(CC1)(C#N)c2cc3c(cccc3)cc2	3196
+C(Oc1cccc(CC)c1)CCBr	8
+c1cc(C)cc(OCCCBr)c1OC	8
+C(Oc1cc2c(n(CC(OC)=O)cc2)cc1)CCBr	8
+c1cc(ccc1OCCCBr)Br	8
+c1cc(ccc1C(OCC)=O)-c2ccc(OCCCBr)c(-c3ccc4C(C)(C)CCC(C)(C)c4c3)c2	8
+c1cc(ccc1Cc2c(OCCCBr)cccc2)C(N(CC)CC)=O	8
+c1cn(c2cccc([N+]([O-])=O)c12)CCCBr	339
+c1cc2c(cc1)n(c3ccccc23)CCCBr	935
+C1CC1CCOc2nc3n(CCCC4CCOC4)c(OC)nc3c(n2)N	637
+N#CC1(C#N)CCCC1	5196
+c1(ccc(c(O)c1CCC)C(=O)C)SCCCCBr	636
+C1CC1COc2c([N+](=O)[O-])ccc(c2)C3(CCCC3)C(OCC)=O	3197
+N1(CCCC1=O)CCCCBr	638
+C1CCN(C1)Cc2c(N3CCN(CC3)C)c(C)cc([N+]([O-])=O)c2	1793
+C1OC(CCC1)OCC=2OC=C(OCCCCBr)C(=O)C=2	3198
+C(Br)CCCOCCCCCOC1CCCCO1	176
+C(Br)CCCOCCCOC1OCCCC1	176
+CC(C)(C)OC(=O)NC1CCC(CC1)N2CCCC2	1793
+CC(C)(C)OC(c1ccc(cc1)CCCCOCCCCBr)=O	176
+CC(C)(C)OC(=O)N1CCc2cc(OCCCCBr)ccc12	8
+CC(C)(C)OC(N1c2c(cc(OCCCCBr)cc2)CCC1)=O	8
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)OCCCCBr	8
+CC(C)(C)c1cc(ccc1N2CCCC2)Br	2321
+CC(C)CCCC(CCOCCCCBr)C	176
+CC(C)Oc1c(C#N)cc(-c2onc(-c3ccc(cc3Cl)OCCCCBr)n2)cc1	8
+CC1(C)CCC(Nc2cc(ccc12)OCCCCBr)=O	8
+C1CCCN1CCc2c[nH]c(c2)C(OCC)=O	1793
+FC(F)(F)COc1c(ccc(c1)C2(CCCC2)C(OCC)=O)[N+](=O)[O-]	3197
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(OCCCCBr)c3	8
+C1CCCN1c2ccc(C#N)c(Cl)c2	2321
+O=S1(=O)C2(CC(=O)N(CCCCBr)CC1)C(CCCC2)Cc3ccccc3	638
+C1(=O)CSCN1CCCCBr	638
+C1CCC(C1)(C#N)c2cc(Cl)c(cc2)Cl	3199
+c1c2c(oc1CCCCBr)cc(C(=O)O)cc2	5197
+C1CCCN1c2c3c(ccc2)c(ccc3)OC	2321
+C(Br)CCCN1C(=O)C(=O)c2c1cccc2	3200
+C1CCC(C1)(c2c3c(ccc2)cccc3)C#N	3199
+C(C12C(=O)Nc3cccc(CCC1)c23)CCCBr	5198
+c1cc(ccc1)-c2c(c3ccccc3o2)C(=O)c4ccc(cc4)OCCCCBr	8
+c1cc(ccc1)C(C)(CCCCBr)C(=O)OCC	5199
+C1CC(CCC1COCCCCBr)CN(C)C(Oc2ccc(cc2)Cl)=O	176
+c1cc(ccc1F)-n2ccc3cc(ccc23)OCCCCBr	8
+c1cc(ccc1OCCCCBr)C=Cc2nc3c(C(N(C(N3CC)=O)CC)=O)n2C	8
+c1cc(ccc1[N+]([O-])=O)OCCCCBr	8
+c1cc(ccc1)C(=O)N2C3CCCCC3N(CCCCBr)C2=O	1794
+c1c2c(ccc1OCCCCBr)scn2	8
+c1cn(CCCCBr)cn1	541
+O(CCC#C)CCCCCCBr	176
+C(CCOCC#C)CCCBr	3201
+C(CCOCCCc1ccccn1)CCCBr	176
+C(CCOCCOc1cnccc1)CCCBr	176
+C(Br)CCCCCN(Cc1c(cccc1)OC)Cc2ccccn2	28
+C(CCBr)CCCOCCCCCCc1ccccn1	176
+C(CCOCCc1ccccn1)CCCBr	176
+c1cc(ccc1N2CCN(CC2)C(=O)C)OCCCCCCBr	8
+CC(C)(C)OC(NCCN(Cc1ccccc1OC(C)(C)C)CCCCCCBr)=O	28
+CC(C)(C)[Si](C)(C)OCCOCCCCCCBr	176
+CC(C)(C(OCC)=O)CCCCCCBr	1232
+CC(C)CCOCCCCOCCCCCCBr	176
+c1(c(OC)c(ccc1)CCCCCCBr)OC	3202
+c1cc(ccc1F)-n2ccc3cc(OCCCCCCBr)ccc23	8
+c1cc(ccc1C(OC)=O)OCCCCCCBr	8
+CC(C)(CN1C(c2[nH]c3ccccc3c2CC1C)c4c(cc(cc4F)OC5CN(C5)CCCF)F)F	28
+c1cc(ccc1F)COc2cc(F)c(N3N=NN(CCCF)C3=O)cc2	5200
+C(Sc1cccs1)CCNC(=O)C	5201
+C(OCC)(=O)C(C(OCC)=O)(NC(C)=O)CCCSCCCCCCCCCCCC	5202
+C(c1c(ccc(c1O)C=O)OCCF)CC	8
+C1CC1COc2cc3C=CN(C(=O)c3cc2)c4cc(c(N5CC6(CCN(CCF)C6)CC5)cc4)F	28
+C1CN(CCN1CCF)c2cnc([N+]([O-])=O)cc2	28
+C1CN(CCN1CCF)c2nc(C)nc(c2)Nc3sc(C(Nc4c(C)cccc4Cl)=O)cn3	28
+O=S(=O)(c1c2c(cccc2nn1C)OCCF)N=CN(C)C	8
+c1c(c(OCCF)ccc1)Br	8
+c1cc(ccc1)COC(=O)N2CC(C(C2)Nc3c(CC)nc(c(n3)CC)-c4ccc(OC)cc4Cl)OCCF	176
+C1COCCN1c2ccc3c(c2)N(C(=O)C)CC3(C)C	765
+C1CN(CCO1)c2cc(Br)c3c(nc(C)[nH]3)c2	765
+FC(F)(F)c1c(c(Cn2c3c(nc2CF)c(Br)cc(c3)N4CCOCC4)ccc1)C	765
+FC(F)(F)c1cc(N2CCOCC2)cc(Br)c1N	765
+FC(F)(F)c1c(C)c(Cn2c3cc(N4CCOCC4)cc(c3nc2C(F)F)Br)ccc1	765
+FC(F)(F)c1cc(c(C(NC2C(N3CCOCC3)CCC2)=O)c(SC)c1)OC	2322
+C1COCCC1(c2cc(F)c(c(c2)F)-c3nc(C(OC)=O)ccc3F)C#N	2323
+C1COCCC12c3ccncc3NC2=O	5203
+C1CN(CCO1)c2c(F)ncc(Br)c2	5204
+C(OCCBr)COc1ccc(C=O)c(c1)O	8
+O=S1(=O)N(c2ccccc2N1c3ccccc3F)CCOCCBr	1233
+C1COCCN1c2cc(ccc2)Br	765
+C1CN(CCO1)c2cccc(Oc3cnc(Cl)cc3)c2	765
+C1CN(CCO1)c2cccc(Oc3cc(c(Cl)nc3)F)c2	765
+C1CN(CCO1)c2cc(Br)c3nc(CF)n(Cc4cccc(Cl)c4C)c3c2	765
+C1CC(CCO1)(C#N)c2nc(-c3ccccc3)cs2	5205
+C1CC(CCO1)(c2ccc(cc2)Cl)C#N	2323
+c1cc(ccc1OCC(C)CCC)C(CN2CCOCC2)NC(=O)C(C)c3ccccc3	2322
+C1COCCN1C(C)C(OCc2ccccc2)=O	5206
+c1nc(ncc1C2(CCOCC2)C#N)C	5207
+N#CCc1c(Br)cccn1	1461
+Clc1c(OC)cc(CC#N)c(Cl)c1	163
+CC(C)(C)[Si](C)(C)OC1c2c(CCC1)cnc3cc(OCc4c([N+]([O-])=O)cccc4)ccc23	22
+CC(C)C(CN1CCC(CC1)Cc2cc(c(Cl)cc2)Cl)NCc3ccccc3[N+]([O-])=O	370
+[O-][N+](=O)c1c(CSCC)cccc1	639
+c1cc(ccc1)CN2Cc3ccc(cc3C2)C(=O)OC	3203
+C(c1cccc2c1c(C)ccc2)n3c(nc4ccccc34)SCCCC(=O)OCC	505
+N(Cc1cccc2cccnc12)=[N+]=[N-]	2324
+C1(N(C(=CC(=C1Br)OCc2ccc(cc2F)F)C)Cc3cccc(CBr)c3)=O	5208
+n1(Cc2cccc(CBr)n2)nnc3c(-c4oc(cc4)C)nc(N)nc13	5209
+CC(C)(C)OC(=O)NC(c1n(ccn1)Cc2ccccc2OC)Cc3ccccc3	371
+c1c(cc(c(c1)NC=2C(=CN(C(=O)C=2F)Cc3cnccc3)C(=O)OC)F)Br	5210
+n1c(cc(COc2c(OC)cc3c(c2)ncnc3Nc4c(cc(Cl)cc4)F)cc1)Br	22
+c1cc(ccc1-c2cc(F)c(cc2)OC)C(=O)O	5211
+C1=CC(=C(C#N)C(N1CCCC)=O)Br	5212
+C1=CC(Br)=CC(N1CCCC)=O	5213
+C(C)N1C=CN=C(Br)C1=O	3204
+C(OC(CN1C=CN=C(Br)C1=O)=O)C	3204
+C1CCN(C1)c2nncc(Br)c2	2325
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3c(C)ccc(CBr)c3)n2)=O	5214
+COc1c(cc2c(nncc2Br)c1)CC	2325
+COc1c(cc2nncc(Br)c2c1)CC	2325
+Clc1cc2c(cc1)nc(cc2Br)N	3205
+Clc1ccc2ncc([N+]([O-])=O)c(Br)c2c1F	3205
+Brc1ncc(C)cc1[N+](=O)[O-]	1462
+c1(cc(Br)[n+](c2ccccc12)[O-])[N+]([O-])=O	5215
+n12c3ccccc3nc1nc(Br)cc2	5216
+c1ccccc1-c2c(ncc([N+]([O-])=O)c2)Br	1462
+c1cc(ccc1Oc2ccc3c(Br)nc(C(OCCCC)=O)c(O)c3c2)OCCC	1462
+c1cc(ccc1Oc2ccc3c(c(nc(c3c2)Br)C(OCCCC)=O)O)F	1462
+c1ccccc1CN2Cc3ccnc(Br)c3CC2	1462
+c1cc(ccn1)-c2c(-c3cc4ccccc4cc3)nnc(c2)Br	5217
+C(Br)C=C(C[N+](=O)[O-])C	2326
+c1cccc(CCCCCCCCC)c1CBr	148
+C(Br)c1cc(c(OC)cc1F)Br	148
+C(c1ccc([N+]([O-])=O)cc1Cl)Br	148
+c1c2c(ccc1CBr)C(Cc3c(S2)cccc3)=O	148
+C(c1cc2c(cc1)cc(F)cc2)Br	148
+C(c1cc2ccc(cc2cc1)OC)Br	148
+C1CN(CCN1CC)c2c(c(Cl)ccc2)CBr	148
+C1CN(CCN1c2ccc(c(Cl)c2)CBr)CC	148
+CC(C)(C)OC(n1cnc2c(cccc12)CBr)=O	3206
+CC(C)(C)c1ccc(cc1)C=C(C)CBr	3207
+CC(C)(CCCC(CC=CC(=CCBr)C)C)OC	2326
+c1cc(ccc1CC(CBr)C)C(C)(C)CC	703
+CC(C)=CCCC(C)CC=CC(=CCBr)C	2326
+CC(C)CC(=CCCC(=CCBr)CC)C	3208
+CC(C)c1cc(cc(C(C)C)c1CBr)C(C)C	148
+CC1(C)OB(OC1(C)C)c2cc(c(F)cc2)CBr	148
+CC(CC=C(CC)C)C(CC)=CCBr	3208
+CN(C)C(c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCBr)=O	703
+O=CC=1CCc2ccc(cc2C=1Br)F	5218
+COc1cccc2nccc(Br)c12	5219
+Cc1cc(cc(C)c1Nc2sc3c(n2)cccc3CBr)C	5220
+n1c(Br)c(Cl)cc(Br)c1	3209
+Clc1cc(c(cc1)Oc2cc(ccc2OC)CC(=O)OCC)CBr	148
+Clc1cc(c(c(CBr)c1)Cl)OC	148
+Clc1cc(cc(CBr)c1)Br	148
+Clc1ccc(C=C(CCCCC)CBr)c(Cl)c1	3207
+FC(F)(F)c1c(CBr)ccc(I)c1	148
+FC(F)(F)c1c(ccc(CBr)c1)CC2CCCCC2	148
+FC(F)(F)c1cc(CBr)c(cc1)Oc2cccc(c2)C(C(=O)O)C	148
+Fc1cc(CBr)c(F)cc1Cl	148
+N#Cc1cc(F)c(cc1F)CBr	148
+O(C)CCOc1cccc(CBr)c1	148
+O=S(=O)(C)CCCOc1ncc(c(C)c1)-c2ccc(F)c(c2)CBr	148
+O=S(=O)(c1ccc(c(c1)Cl)CBr)C	148
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCBr	703
+O=S(=O)(C)c1cc(Br)ccc1CBr	148
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CBr)cc1)Br)CC	148
+[N+](c1cc(CBr)cc(Br)c1)([O-])=O	148
+c1(c(cccc1)Br)C=CCBr	5221
+c1(cc(cc(Br)c1Oc2cc(C(C)C)c(cc2)O)CBr)Br	148
+c1c(Cl)c(c(cc1OC)Cl)CBr	148
+c1cc(CCBr)cc2c1CCC2	703
+c1(nn2c(cc1)ncc2-c3cccc(Br)n3)N4CCCC4c5cc(ccc5)F	3209
+c12c(cc(c(c1)C)CBr)cccc2	148
+c1c(CBr)cnc2ccccc12	3206
+c1(cccc(C)c1-c2nc(c(cc2)F)CBr)C	2327
+c1(C)cc(cc(C)c1CBr)OCc2ccccc2	148
+c1c(C)nc(CBr)cc1	2327
+c1c(CCBr)cnc(c1)Br	703
+BrCc1c(Cl)cc(Cl)c(c1)OC	148
+c1c(CBr)cccc1O	148
+c1(cncc(Cl)c1CBr)Cl	148
+Fc1cc(cc(F)c1CBr)Br	148
+O(C)c1cc(cc(OC)c1OC)CCCBr	703
+c1c(OC)ccc(CBr)c1OC	148
+c1c(c(Cl)cc(c1)CBr)OCC=C	148
+c1c(cc(F)c(c1)C(Br)C)Br	2328
+c1c(cc2c(OC(CBr)=CC2=O)c1)Br	5222
+c1cc(CBr)cc([N+]([O-])=O)c1OC	148
+c1cc(cc(OCCC)c1OC)CBr	148
+c1cc(ccc1)C(c2ccccc2)C(=O)N3CCC(CC3)CCBr	703
+c1cc(ccc1)C=2c3ccccc3C(OC=2C(C)Br)=O	5223
+c1cc(ccc1)CCCCBr	703
+c1c(Cl)c(c(cc1OCc2ccccc2)Cl)CBr	148
+c1cc(ccc1)COc2ccc(CBr)c(c2F)F	148
+c1cc(ccc1-c2cnc(cc2)C(CC)Br)C(N)=O	5224
+c1cc(ccc1CBr)Oc2ccc(cc2)C(C(OC)=O)=Cc3cc(OC)cc(c3)OC	148
+c1cc(ccc1C(=C(CBr)C)C)C(C)(C)CC	5225
+c1cc(ccc1C(Br)C)Br	2328
+c1cc(ccc1C(C)Br)F	2328
+c1ccccc1-c2onc(c2CCC)-c3onc(-c4ccc(cc4)CCBr)n3	703
+c1cc(ccc1Cl)CCBr	703
+c1cc(ccc1CN2C(C(OC)=NN(c3ccccc3CBr)C2=O)=O)Cl	148
+c1cc(ccc1)CCC2=CC(N(CCc3ccc(cc3)CBr)C=C2)=O	148
+c1cc(ccc1CBr)CCN2C=CC(=CC2=O)OCc3c(F)cccc3	148
+c1cc(ccc1N2C=C(C(OCC)=O)C(c3cc(c(c(Cl)c23)N4CCN(CC4)c5ccccn5)F)=O)CBr	148
+c1cc(ccc1CBr)O	148
+c1cc(ccc1Cn2nc(-c3cc(ccc3)CBr)nn2)OC	148
+c1cc(ccc1OCCOC)CBr	148
+c1cc(ccc1CBr)OCCOCCOC	148
+c1cc(ccc1F)S(=O)(=O)c2c(cccc2)CBr	148
+c1cccc2CCC(CBr)Cc12	703
+c1ccccc1COC(Nc2c(CCCC)cc(cc2F)CBr)=O	148
+c1ccccc1COc2c(CBr)cc(cc2)Br	148
+c1ccccc1COc2ccc(c(Cl)c2)CBr	148
+c1ccccc1COc2cc(Cl)ccc2CBr	148
+c1ccccc1COc2cc(c(CBr)cc2)C	148
+c1ccccc1COc2ccc(Cl)c(c2)CBr	148
+n1ccnn1-c2ccccc2CBr	148
+n1(CCBr)nc(cc1CBr)[N+]([O-])=O	2327
+C1Cc2nn(cc2-c3c1c4c(ncnc4s3)Nc5cc(c(cc5)OCc6ncccc6)Cl)CCBr	5226
+Clc1ccc(-n2ncnc2)c(CBr)c1	5227
+CC(C)Cc1c(cc(Br)cc1)C#N	5228
+c1cc(c([N+](=O)[O-])c2ncccc12)C(O)c3ccc(cc3C)F	704
+CC(C)(C)OC(=O)N1CC(C(c2cc(F)c(Cl)cc2)=O)CC1	832
+c1cc(cc(OC)c1F)C(c2nc(Cl)c3c(cccc3)n2)=O	2329
+c1c(cc(C)cc1)C(=O)c2cc(ccc2)Br	705
+CC(C)(C)OC(=O)NC(C)C(c1cccc(c1)OC)=O	832
+C(c1cccc(OC)c1)(c2ccc3c(cc(CCN4C(CCC4)C)o3)c2)=O	705
+FC(F)(F)c1ccc(cc1)-c2nc(nc(C)c2)-n3cc(Br)nc3C	937
+FC(F)(F)c1cc(ccc1-c2[nH]cc(C(OC)=O)c2C)F	1072
+c1cc(ccc1C(=O)Nc2c(ccc(-c3ncc[nH]3)c2)Cl)OCc4ccccn4	1795
+CC(C)Oc1c(cccc1)-c2c[nH]cn2	1234
+C[Si](C)(C)CCOCn1cnc(Br)c1	1073
+FC(F)(F)c1ccc(cc1)-c2nc(-n3cnc(c3)Br)nc(c2)C	937
+c1n(Cc2ccc3nc(SC)sc3c2)cnc1Br	2330
+FC(F)(F)c1cc(C#N)cc(Oc2c(ccc(CNC(c3[nH]cnc3Br)=O)c2F)Cl)c1	5229
+Brc1[nH]cnc1C(=O)O	1
+[O-][N+](=O)c1c(C)cc(Br)c(c1)Br	31
+C1(=O)Nc2c(c(c(Br)c(Br)c2)[N+]([O-])=O)NC1=O	31
+c1cc(ccc1-c2cscc2Br)OC	1074
+c1cc(ccc1-c2c(C)nccc2)OC	89
+FC(F)(C(=O)OCC)c1ncc(C)cc1F	1796
+c1c(Br)c(F)ccc1OCC2CO2	267
+CC(C)(C)C(NC(=O)c1[nH]c2ccccc2c1)C(N3C4CC(C3)N(C4)C(=O)c5ccc(-c6c(F)cccn6)cn5)=O	1797
+N(C(c1c(Cl)ccc(OC)c1)=O)N(C)c2c(cnc(SC)n2)Br	1798
+Cc1ccnc(COc2cccnc2Br)c1	5230
+O(c1cccnc1Br)C	542
+c1c(F)c(c(cc1)F)C(COc2cccnc2Br)=O	5231
+c1c(I)nc(Br)c(c1)O	1463
+c1(Cl)c(Br)cc(c(C)n1)[N+](=O)[O-]	137
+c1(Cl)c(Br)cnc(C)n1	64
+c1cc(ccc1-c2cc3ccncc3nc2O)N4C(C(C)(C)OC4=O)c5ccccc5	156
+O(c1c(Br)cc(C)cn1)C	766
+O(c1cc(C)cc(Oc2c(cc(c(C)c2OC)OC)C(OC)=O)c1)C	304
+c1(cc([N+]([O-])=O)c(nc1-c2cc(F)ccc2)N)Br	119
+CC1(C)OB(OC1(C)C)c2c3c(ccc2C)cccc3	585
+c1(CCOC2OCCCC2)ccccc1Br	219
+c1(Cl)c2c(Br)csc2ccn1	1799
+C1CC1c2c3c(ccc2)cccc3	5232
+CC(C)(C)OC(N1CCC(CC1)c2nc(cs2)C#Cc3c4c(ccc3)cccc4)=O	1800
+c1c(Cl)ccc(Oc2c3c(cccc3)ccc2)c1C	304
+O=Cc1c(ccc2ccccc12)C=C	146
+c1cc(ccc1)S(=O)(=O)n2cc(Br)c3cccnc23	276
+C=1(Br)C=C(Br)C(=C=[N-])[N+](=O)C=1	5233
+COc1c2ccccc2c(cc1C=O)Br	146
+c1c(c(C)cc2n[nH]cc12)Br	3210
+c1c(-c2cccnc2)c(C)cc(c1C)N	305
+O(C(C)c1ccccc1Cl)c2cc(sc2C(=O)OC)Br	5234
+CC(C)(C)OC(c1ncc(Br)cc1[N+](=O)[O-])=O	1075
+CC(C)(C)[Si](C)(C)OCC1CCCCN1c2sc(c(Br)c2)C=O	1801
+Brc1cc(cc(Br)c1)CC#N	177
+Brc1cc(cc(Br)c1)CCl	109
+c1cc(ccn1)-c2cc(cc(Cl)c2)Br	1802
+CC1(C)c2cc(-c3cc(Br)cc(c3)Cl)ccc2-c4ccccc14	11
+n1cc(cnc1)Nc2cc(Br)cc(c2)Cl	5235
+c1(Br)cc(cc(Br)c1)NC(=S)N	401
+c1(OC)cc(cc(Br)c1)C(=O)OC	833
+Brc1cc(cc(Br)c1CO)F	41
+C1CC(=O)N(c2cc(cc(Br)c12)OC)c3c(C)ccc(c3)C(=O)OC	2331
+c1(Br)cc(cc(Br)c1COC(C)=O)F	204
+c1c(Br)c(c(cc1C=O)Br)OCc2ccc(cc2)OC	139
+c1(cc(cc(Br)c1O)C(=O)N2c3ccncc3OCC2)Br	5
+FC(F)(F)c1cc(ncc1)Nc2nc(Br)cc(C)c2	834
+c1c(C)c(cnc1Nc2cc(C)cc(Br)n2)F	834
+c1c(C)cc(nc1-c2scnc2)Br	2332
+C1Cc2cc(cnc2NC1)-c3nccnc3	3211
+CC(C)(C)OC(N1Cc2c(CC1)sc(c2)Br)=O	23
+Nc1c2cc(Br)cnc2[nH]c1	13
+C1CN(CCO1)C(c2cccc(-c3cc4c(nc3)[nH]cc4)c2)=O	89
+CC(C)(C)OC(NC1CN(C1)c2cnc3[nH]ccc3c2)=O	244
+O=S(=O)(CCC)Nc1ccc(F)c(c1)C(O)c2c[nH]c3c2cc(Br)cn3	1235
+c1(cc(-c2cc3cc[nH]c3nc2)ccc1)C=O	89
+c1cc(c(c(F)c1OCCOC2OCCCC2)C(O)c3c4c([nH]c3)ncc(c4)Br)F	1235
+c1ccccc1S(=O)(=O)n2ccc3c2ncc(Br)c3	276
+c1cc(ccc1Oc2c(Cl)ccc(c2)F)-c3sc(C(=O)N)cc3	3212
+Brc1ccc(C(=O)OC)s1	128
+O(C)C(c1sc(C#CCO)cc1)=O	1236
+c1c2ncn(c2ccc1)-c3ccc(s3)C(CCCC)=O	5236
+C1CN(CCC1(c2ccc(Cl)s2)O)C(OCC)=O	3213
+C1CN(CCC1NC(=O)C)c2cc(ccc2)Br	79
+C1CN(CCN1C)c2cc(ccc2)Br	79
+C1CC(CCN1c2cccc(c2)Br)C(=O)OCC	79
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(c2)Br	79
+CN(C)c1ccc2c(C=CN(c3cc(Br)ccc3)C2=O)c1	2333
+C[Si](C)(C)c1cc(ccc1)Br	1803
+C1OB(OCC1)c2cc(-c3cccc(Br)c3)cnc2	5237
+c1cccc(-c2cc(ccc2)Br)c1OC	11
+c1(cccc([Mg]Br)c1)Br	5238
+c1(cc(ccc1)Br)C(c2cc(ccc2)Br)O	257
+C1CC1c2cc(c3c(c2)OCCN(C3=O)c4c(c(ccc4)Br)C=O)F	1464
+CC(C)(O)c1ccc2c(CCN(C2=O)c3cccc(Br)c3C=O)c1	1464
+O=Cc1cccc(Br)c1CC	146
+CC1(C)Cc2c(sc3C(N(CCc23)c4cccc(Br)c4COC(=O)C)=O)C1	1464
+c1(cccc(Br)n1)NCc2cc(ccc2)F	340
+c1c(nc(N2CCC(NCCCCO)CCC2)cc1)Br	323
+CC(C)(O)c1cccc(Br)n1	938
+CC(C)Oc1nc(ccc1)Br	640
+c1ccccc1COc2c3cc(ccc3ncc2)-c4nc(Br)ccc4	245
+c1c(Br)nc(C(CCCC)O)cc1	3214
+CN(C)c1cccc(n1)Br	323
+c1ccc(C)c(c1N2N=NN(C2=O)C)COc3cccc(Br)n3	640
+c1ccc(C(C)Nc2cccc(Br)n2)cc1[N+]([O-])=O	340
+c1cc(ccc1)-c2nc(Br)ccc2	119
+c1cc(ccc1)Oc2nc(ccc2)Br	1237
+c1cc(ccc1-c2c(c(C)no2)Nc3nc(ccc3)Br)-c4ccc(cc4)C5(CC5)C(=O)OCC	3215
+c1cc(ccc1OC)CNc2cccc(n2)Br	340
+c1ccccc1COc2cc3n(n2)CCN(C3=O)c4nc(ccc4)Br	2334
+c1cnccc1-c2nc(Br)ccc2	1238
+c12c(c(ccc1[N+]([O-])=O)Br)nccc2	1804
+c1cc(ccc1-c2nc(Cc3ccccc3Br)sc2CC(O)=O)F	5239
+C1CCN(C1)c2ccccc2CC(O)=O	79
+O=C(OCC)Cc1ccccc1Br	939
+c1cc(ccc1OC)CN(c2nccs2)S(=O)(=O)c3ccc4c(OCCN4c5c(Br)cccc5)c3	2335
+c1cc(ccc1-c2c3n(ccc2)cc(C)n3)O	1805
+C1CCCC1(O)c2ccncc2Br	5240
+C1CC(CCN1CC23c4c(cccc4)C(c5c2cc(cc5)Cl)C3)(O)c6cccnc6	1239
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)NC(=O)C3CN(C3)c4cnccc4	244
+CC(C)(C)OC(N1CCN(CC1)c2cccnc2)=O	244
+CC(C)(C)OC(N1CCC2(CCCN2c3cnccc3)C1)=O	244
+CC(C)(C)OC(Nc1c(cc(cc1)-c2cnccc2)[N+]([O-])=O)=O	5241
+CC(C)c1c(c2c(n1Cc3ccccn3)cc(Oc4cccnc4)cc2)C(NCc5cc(F)c(cc5)F)=O	706
+O(C(C)c1ccccc1Cl)c2c(C(=O)OC)sc(-c3cccnc3)c2	5242
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(C2=O)Cc3nc(ncc3)Nc4cccnc4	3216
+FC(F)(F)c1ccc(cc1)-c2cnccc2	1806
+O=S(=O)(C)c1cc(-c2cccnc2)ccc1	89
+c1(c(c(ccc1)-c2cnccc2)C)Br	89
+c1ccc(cc1[N+]([O-])=O)C=Cc2cnccc2	1807
+COc1nc2c(cc(-c3cnccc3)cc2)cc1	1806
+c1c(C=Cc2cc(ccc2)Nc3c(cccn3)[N+]([O-])=O)cccn1	1807
+c1(cnccc1)-n2cc(CCC(OCC)=O)c3ccccc23	3217
+c1cc(ccc1C)-c2cccnc2	89
+n1cc(cnc1Nc2cnccc2)[N+]([O-])=O	3216
+C1=C(CCOC1)c2cccnc2F	1076
+C1CC1c2c(nccc2)F	940
+n1cccc(c1F)-c2cc(ncc2)C	3218
+C1=CC=C(Br)C(N1CCCCCl)=O	5243
+C=1N(C(C(Br)=CC=1)=O)C	5244
+CC(C)c1ccc(cc1)-c2n(CCOC)c3c(cc(cc3OC)C(O)c4cccnc4SC)n2	5245
+N1(CCCC1=O)c2cccnc2[N+](=O)[O-]	3219
+n12CCNC(c1c(c3c2c(cc(c3)F)-c4occc4)C)=O	5246
+C1C(C)OC(CN1c2c(c(c(C#Cc3cccs3)cc2C=O)F)F)C	3220
+Brc1ccc(C(CCCC)=O)s1	1808
+c1ccc(-c2cccs2)cc1OCC	268
+c1cc(ccc1-c2sccc2)-c3nc4ccc(S(=O)(=O)C)cc4[nH]3	268
+c1cc(ccc1OCC)-c2sccc2	268
+Brc1ccn2c(c1)nc(c2)COC	5247
+Brc1ccn2c(c1)nc(CCl)c2	3221
+c1(CC(OC)=O)ccc(cc1Cl)-c2cc(ncc2)C(=O)NC	2336
+FC(F)(F)c1cc(NC(c2cc(Br)ccn2)=O)ccc1	187
+Brc1ccnc(C(=O)NC)c1	81
+c1(cc2ccc(cc2cc1)-c3ccnc(C(=O)O)c3)OC	835
+c1ccccc1NC(c2nccc(Br)c2)=O	187
+c1cc(ccc1N)-c2ccnc(C)c2	2336
+c1cc(ccc1Br)C(CC(c2cc(ncc2)C)=O)c3c(cccc3)C	3222
+c1ccc(C(CC(=O)c2ccnc(C)c2)c3cccc(c3)Br)c(C)c1	3222
+C(=O)(N(OC)C)C=Cc1nccc(Br)c1	3223
+C(NC=O)c1nccc(Br)c1	707
+C(Oc1nccc(Br)c1)CCF	430
+n1cccnc1-c2c(C(N3CC(CCC3C)Oc4cc(Br)ccn4)=O)ccs2	430
+CC1(C)OB(OC1(C)C)c2cc(NC(C)=O)ncc2	1809
+C1=CC(Br)=CC(N1CCO)=O	5248
+CC(C)(C)OC(C(C)N1C=CC(Br)=CC1=O)=O	5249
+CC(C)c1ccc(cc1C)NC(c2cc(Br)ccn2)=O	2337
+c1ccccc1CN(C)c2cc(ncc2)C(OC)=O	1465
+OB(O)c1ccnc2[nH]c(C)cc12	3224
+n1nc[nH]c1-c2c(Br)ccs2	2338
+Brc1ccsc1C(=O)N	767
+CC(C)(C)C1OCC=2c3c(C(OC=2C1)=O)scc3	5250
+CC(C)(C)[SiH2]OC(C)(C)C1N(CCC1)c2cc(cnc2)Br	244
+CC(C)(c1cc(cnc1)Br)O	1239
+CC(C)Oc1cncc(Br)c1	1810
+n1cc(cc(-c2cc3CC(N(c3cc2)C)=O)c1)Br	156
+n1cc(cc(c1)-c2c(c3c(cc2)N(C(C3)=O)C)Cl)Br	156
+n1cc(Br)cc(OC)c1	1810
+c1ccc(cc1C#Cc2cncc(Br)c2)OC	1240
+Brc1c[n+](cc(Br)c1)[O-]	341
+c1ccc(cc1[N+]([O-])=O)C=Cc2cncc(Br)c2	1807
+c1ccccc1COc2cncc(c2)Br	1810
+CC(C)c1ccc(cc1)-c2cncc(Br)c2	89
+c1(Br)cncc(NCc2ccccc2O)n1	941
+FC(F)(F)c1ccnc(n1)Nc2cc(-c3scnc3)cc(Br)c2	836
+c1c(N)cc(-c2n3c(nc2)cc(C)cc3)cc1	3225
+CC(C)(C)[Si](C)(C)OCc1ccn2c(ncc2Br)n1	19
+CC1CCCC(C)N1C(=O)c2csc(n2)Br	837
+C(O)(Cn1c(c(nc1Br)Br)Br)=O	4
+CC(C)Nc1c([N+]([O-])=O)cc(c(CC)n1)Br	340
+c1(C)cccc(C)c1-c2nc(c(Cl)n2CCCC)Cl	1795
+CC(C)(C)OC(N1CCCN(c2c3c(cc(Br)n2)cccc3)CC1)=O	323
+CC(C)(C)OC(=O)N1CCC(CC1)(c2nc(cs2)Br)O	5251
+c1(F)cc(cc(F)c1-c2scc(C(=O)OC)n2)OC	1241
+C1(CN(CCC1)c2nc3c(n2Cc4c(F)cccc4Cl)C(N(C(=O)N3C)C)=O)C(=O)OCC	1811
+FC(F)(F)c1cc(c(c(F)c1)[N+](=O)[O-])-n2c(nc(c2)C)Br	431
+Nc1cc(C)cnc1Br	13
+N#Cc1ncc(C)cc1[N+](=O)[O-]	942
+c12[nH]nc(c1cc(Br)nc2)C	5252
+c1c(I)cc(c(Nc2c(cc(Br)nc2)C(=O)O)c1)F	5253
+c1nc(Br)cc(c1F)-c2n(C)c3ccccc3n2	3226
+Nc1c(NC)cc(Br)nc1	13
+BrCc1ccnc(Br)c1	29
+C1CN(CCN1C(NC2CCCCC(Oc3nccc(C)c3)C2)=O)c4ccnc5cc(Cl)ccc45	640
+c1cnc(cc1C)-n2c3c(c4c2cc(cc4)OC)cccc3	5254
+CC(C)(C)OC(N1C(CC(C1)F)C(NCc2ccnc(Br)c2)=O)=O	9
+O=S(=O)(C)OCc1ccnc(Br)c1	7
+C1CC1COc2ccnc(Br)c2	8
+c1ccccc1COc2cc(ncc2)Br	22
+c1cc(ccc1C#Cc2c([N+]([O-])=O)cccn2)CCC(=O)OC	943
+C(O)CN(C)c1nccs1	641
+C1CC1C(c2sccn2)O	5255
+s1ccnc1-c2cc(c(F)cc2)C#N	1241
+c1cc(ccc1F)-c2sccn2	1241
+C1CN(CCC1Oc2sc3cc(ccc3n2)Br)c4nnc(C)s4	2339
+C(OCC)(Cc1cccc(NC(c2oc(Br)cc2)=O)c1)=O	768
+Brc1oc(cc1)C(Nc2cccc(c2)CC(OC)=O)=O	768
+Brc1oc(cc1)C(CC#N)=O	5256
+CSC(SC)=C(C(c1ccc(o1)Br)=O)C#N	5257
+c1cc(ccc1C)-c2oc(cc2)C(=O)Nc3cc(CC(OC)=O)ccc3	1242
+c1cc(ccc1C)-c2sc(-c3cc(c(cc3)CCCCC)F)cc2	268
+Brc1sc(-c2nc(ncc2)S(=O)C)cc1	172
+CC1(C)CC(CC(C)(C)N1)Nc2nccc(n2)-c3sc(cc3)Br	306
+c1(cc2ncn(-c3sc(c(Br)n3)C(OC)=O)c2cc1OC)OC	5258
+c1cc(ccc1Cl)-c2sc(C)cc2	268
+C(C)N(CC)c1ccc(C=O)s1	1801
+CC(C)CNCc1ccc(Br)s1	1466
+c1cc(ccc1-c2cc(F)c(-c3sc(C=O)cc3)cc2)CC	268
+c1cc(ccc1-c2ccc(C=O)s2)CO	268
+c1cc(ccc1Sc2sc(C=O)cc2)Cl	5259
+c1cc(c(-c2sc(CC(OC)=O)cc2)cc1)N	268
+O=S(=O)(c1cccc(Cl)c1)NCc2ccc(Br)s2	71
+N#Cc1c(C)nc(Br)s1	1812
+C(NC(=O)c1c(C)nc(Br)s1)c2cccnc2	454
+c1ccccc1CNC(c2sc(Br)nc2C)=O	454
+c1ccccc1N(Cc2c3c(nc(c2)O)cccc3)C(c4c(nc(s4)Br)C)=O	3227
+O=S(=O)(C)c1cccc(-c2sc(-c3ccn(C)n3)cc2)c1	268
+c1cc(ccc1-c2ccc(CCCCC)s2)OC	268
+C1CN(CCN1C2CCC2)C(=O)CN3CCc4c(sc(n4)Br)C3	224
+C12CCC(O)(CC1CCCC2)C#C	2340
+CC(C)(C)[Si](C)(C)OCCCCCCCCCCCCC#C	5260
+C(C(C)(O)CCCC(C)CCC)#C	2340
+Nc1c(cc(F)cn1)C#CC	2341
+c1(c(c(Cl)ccc1CNC(c2[nH]cnc2Cl)=O)Oc3cc(cc(C#N)c3)C#CC)F	197
+c1cc(ccc1OC)Cn2cnc3c2nc(C#CC)nc3Cl	1467
+FC(F)(F)c1ccc(c(NC(=O)Nc2cccc(C#CC(N)=O)c2)c1)F	5261
+C(OCC)(c1ccc(nc1CC(=O)OCC)O)=O	5262
+CC(C)(C)OC(=O)Nc1cc(C)c(CNC(=O)C#C)c(C)n1	5263
+c1cc(ccc1Oc2ccccc2)-c3c(ncnc3N)NC4CC5(C4)CN(C5)C(=O)C#C	5264
+c1(C(O)C#CC(OC)=O)cc2c(OCO2)cc1	5265
+CC(C)(C)OC(=O)NCCn1nnc(C(OC)=O)c1	2342
+CC(C)(C)[Si](C)(C)OCc1cc2n(cc1)ncc2C(OC)=O	2343
+c1c(Br)nc(Cn2nncc2C(=O)OC)cc1	5266
+c1cc(ccc1C(C2=C(N(C(C=C2)=O)c3c(F)cc(cc3F)Br)N)=O)F	5267
+c1ccccc1COc2cc(Cl)cn3c2c(C(=O)OC)cn3	2343
+c1cc(ccc1-c2noc(C(=O)OC)c2)Oc3c(ccc(F)c3)Br	3228
+c1c(F)cc(cc1Nc2c(C(=O)NC(C#C)(C)CC)cccn2)F	3229
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CCCC(C2)C(NC(C#C)CC(OCC)=O)=O)=O)=O	5268
+c1cc(ccc1Oc2sc(cn2)C#CC(NC(C)=O)C)O	3230
+c1cc(ccc1Oc2sc(cn2)C#CC(NC(C)=O)C)S(=O)(=O)N(C(C)C)C	3230
+FC(F)(F)c1c(cc2cc(C(CSCC)(C)O)n(c2c1)S(=O)(=O)C)C#N	3231
+FC(F)(F)c1ccc(cc1)-c2noc(C(=O)OCC)c2	3228
+CCOC(c1c2n(nc1)ccc3OCCc23)=O	2343
+n1c(C(=O)OCC)cn(n1)-c2ccc(C(NCC)=O)cc2O	3232
+n1c2c(ccc(-n3cc(nn3)C(=O)OCC)c2)n(CC)c1Cn4ccnc4-c5cc(ccc5F)F	3232
+c1c(Cl)c(c(cc1Cn2cc(C(=O)OCC)nn2)Cl)Cl	2342
+c1c(c(cc(-c2noc(C(=O)OCC)c2)c1)C)OCOC	5269
+n1n2c(Cl)cccc2c(c1-c3occc3)C(=O)C#C	2344
+C1(N(CCC1(O)C#Cc2ccnc(-n3nc(C(=O)N)c4cc(OC)ccc34)c2)C)=O	1243
+C(C)OC(=O)c1nn(-c2cccc(C#CC3(C(N(CC3)C)=O)O)c2)c4CCN(Cc14)c5ccncn5	197
+C1(N(CCC1(O)C#Cc2cccc(-n3nc(C(=O)OC)c4cc(C#N)ccc34)c2)C)=O	197
+C1(N(CCC1(O)C#Cc2ccnc(-n3c4cccc(F)c4c(C(=O)OC)n3)c2)C)=O	1243
+c1(C#CC2C(CO)C2)cc3c(cc(cc3)C(O)=O)cc1	197
+c1cc(ccc1C#CC#CC2CC2CO)C(=O)O	5270
+c1(c(OCc2ccc(nc2)OC)ccc(c1)Cn3cnc4cc(-n5nnc(C6CCCNC6)c5)ccc34)OC	5271
+CC(C)(C)OC(N1CCc2c(nc3ccnn3c2N4CC(C4)C(N5CC(C#C)CC5)=O)CC1)=O	10
+C(CN(CCCCO)CCCCCCCCCCCCCCCCCC)#C	1813
+c1cc(cc(c1OCC#C)OC)CCC(OCC)=O	476
+C(COCC#C)OCCOCCOCCO	1244
+C(c1c(OCC#C)cccc1F)CC	476
+C1CN(CCN1CC)CC#C	1813
+C1CN(CCN1c2c(F)cc(F)cc2)CC#C	1813
+CC(C)(C)C(Nc1cc(F)cc(OCC#C)c1C(=O)OC)=O	476
+CC(C)(C)OC(NC1C(=O)N(CC#C)c2c(OC1c3ccccc3)cccc2)=O	5272
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCC#C)=O	476
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c(N)nc3cc(OCC#C)ccc3c12	476
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(c(C)c2)C3=C(OC)CC(CC#C)C3=O	3233
+CCC(c1ccc(OCC#C)cc1O)=O	476
+CCCC(O)(CC#C)CCCC	2345
+C#CCC(CCCC)(CF)O	2345
+Cc1nnc(c2ccc(OCC#C)cc12)Cl	476
+FC(F)(F)C=1N(C)C(C(c2c(cc(c(c2)OCC#C)Cl)F)=NC=1)=O	476
+FC(F)(F)c1nc(Cl)sc1C(=O)OCC#C	5273
+FC(F)(F)c1c(c(N2CC(CC2)OCC#C)ccc1)CN3CCN(CC3)C(=O)OC(C)(C)C	1244
+FC(F)C(CCCC)(CC#C)O	2345
+c1c(F)c(c(cc1C(OC)=O)F)OCC#C	476
+Nc1c(N2N=NN(CCCF)C2=O)c(cc(Cl)c1OCC#C)F	476
+C(COCCOCC#C)OCCO	1244
+O=S(=O)(CC)NC(C(=O)NC1C(c2ccc(OCC#C)c(OC)c2)CCCC1)C(C)C	476
+O=C(c1c(cccc1)SCC#C)O	5274
+c12n(CCOCC#C)c(nc1cnc3ccccc23)CCOC	1244
+c12cc(OCC#C)ccc1[nH]cc2	476
+c1cc(ccc1-c2cc(c(C=3C(C(CC=3OC)CC#C)=O)c(F)c2)Cl)Cl	3233
+c1cc(ccc1Cl)Oc2ccc(C(Cn3cncn3)(OCC#C)CC)c(Cl)c2	1244
+c1cc(ccc1-c2oc3c(cccc3)n2)OCC#C	476
+c1ccc(OCC#C)cc1C(=O)OC	476
+c1cc2c(CN(CC2)CC#C)cc1	1813
+c1ccccc1COC(NC(Cn2c3cc(ccc3cn2)OCC#C)C)=O	476
+C[Si](C)(C)OC(CF)(CC#C)CCCC	19
+C[Si](C)(C)OC(CC#C)(CCOC)C	19
+CC(C)(C)OC(NC1(C(=O)N(C)CC1)CC#C)=O	1245
+COCCC(CCOC)(CNC(OCC1c2ccccc2-c3ccccc13)=O)NCCCC#C	110
+c12c(N)nc(C#CCCCC)nc1n(C3C(O)C(C(CO)O3)O)c(NCC)n2	1467
+C1CN(CCC1)CCCC#C	53
+FC(F)(F)C(Nc1ccc(cc1)C#CCCCCl)=O	121
+C1c2c(CC1Nc3ncc4c(n3)CCN(C(CNCCCC#C)=O)C4)cccc2	402
+CC(C)(C)OC(=O)NCCCC#C	37
+FC(F)(F)C(=O)NC(C(=O)NCCCC#C)CC	9
+c1cc(ccc1C(c2ccc(cc2)C#CCCCO)=C3CCCCCC3)O	197
+C1CN(CCO1)Cc2cc3c(c(C#CCCCO)c2)N(C=C(C3=O)C(=O)NCc4ccc(cc4)Cl)C	121
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(=O)OCCCC#C)cccc2	1468
+CC(C)N(C(C)C)CC#CCCCO	1469
+CC(C)(C)OC(N(C)C1CCC(c2ccc(cc12)C#CCCCO)c3ccc(c(Cl)c3)Cl)=O	121
+CC(C)(C)[Si](C)(C)OCCCC#C	19
+FC(F)(F)C(=O)N(c1ccc(cc1)C#CCCCO)C	121
+FC(F)(F)C(=O)NCCC(c1cc(C#CCCCO)ccc1)O	197
+FC(F)(F)Oc1ccc(cc1)C#CCCCO	121
+FC(F)(F)Oc1cc(c(C#CCCCO)cc1)I	5275
+FC(F)(F)Oc1cccc(C#CCCCO)c1	121
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCO	2346
+FC(F)(F)c1ccc(cc1)-c2c3c(sn2)cc(C#CCCCO)cc3	2346
+FC(F)(F)c1ccc(cc1)C#CCCCO	121
+c1ccccc1-c2ccc(cc2)C#CCCCO	197
+C(CCO)C#Cc1ccccn1	769
+CC(C)(C)C(=O)NCCC#C	68
+O=S(=O)(Cc1ccc(c(c1)Cl)Cl)NCCC#C	111
+c1c(oc2c1cc(cc2)C(N(OC)C)=O)CCN3CCCC3C	1246
+c1cc(ccc1-c2ccc3oc(CCN4C(C)CCC4)cc3c2)C#N	1246
+CC(C)(C)OC(c1ccc(cc1)C#CCCO)=O	121
+Clc1ccc(C#CCCO)c(Cl)c1	121
+C=1C(Oc2c(ccc(C#CCCO)c2)C=1)=O	1247
+c1cc(ccc1Cl)-c2nsc3cc(C#CCCO)ccc23	2346
+FC(F)(F)c1cc(ccc1-c2cc(CCO)on2)Br	1814
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(-n4nnc(CCO)c4)c3)ccc1F)F	5276
+c1c(oc2c1cc(-c3n4c(ccn4)nc5c3CCC5)cc2)CCO	1246
+C(C#Cc1cccc(CF)n1)CO	769
+C(C#Cc1cccc(OC(C)=O)c1)CO	121
+C(C#Cc1cc(Br)c(Cl)cc1)CO	121
+C(C#Cc1cc(C)c(cc1)OC)CO	197
+c1cc(ccc1-c2ccc3oc(cc3c2)CCO)C#N	1246
+c1cc(ccc1C#CCCO)-c2cn3c(cc(C)cc3)n2	197
+c1cc(ccc1CC(=O)OC)C#CCCO	121
+c1cc(ccc1C#CCCO)OCCCN2CCCCCC2	121
+c1cc(ccc1C(=COC(F)F)C(NCCc2cc(OC)c(OCC#C)cc2)=O)Cl	5277
+N(C)C(c1nn(C2CCCCO2)c3cc(ccc13)Nc4ccccc4C(NCC#C)=O)=O	1815
+CC(C)c1n(Cc2ccccc2)c3cc(C(NCC#C)=O)ccc3c1C(=O)NCc4cc(F)c(cc4)F	1815
+C[Si](C)(C)CCOCOc1cc(cc(OCc2ccccc2)c1Br)C(=O)NCC#C	1815
+FC(F)(F)c1cccc(C(=O)NCC#C)c1	5278
+c1c(c(ccc1OC)CNCC#C)OC	5279
+c1cc(ccc1)COc2cc(cc(c2Br)OC)C(NCC#C)=O	1815
+FC(F)(F)C1(ON=C(c2sc(C(=O)NCC(=O)NCC#C)c3CCCc23)C1)c4cc(Cl)c(c(Cl)c4)F	1816
+C(C)N(CC)CC#CCO	1469
+C(CCOCC#C)CCCCBr	3201
+C12CC3CC(C1)CC(C2)(C3)CNC(c4c(cnc(c4)C#CCO)Cl)=O	769
+CC(C)(C)C(Nc1nc(Cl)ncc1F)Cn2cc(nn2)CO	642
+CC(C)(C)N1c2c(C(C(C(NCc3ccc(cc3)Cl)=O)=C1)=O)cc(cc2)C#CCO	121
+CC(C)(C)OC(N(c1ccc(cc1)C#CCO)C)=O	121
+CC1(C)Cc2c3N1C=C(C(=O)OCC)C(=O)c3cc(c2)C#CCO	197
+CCC(=O)N(Cc1cccc(C#CCO)c1)c2cc(-c3[nH]nnn3)ccc2	121
+Cc1n(C2CCCCO2)nc-3c1C(N(c4ccc(C#CCO)cc-34)CC)=O	121
+Clc1c(F)c(C#CCO)ccc1	121
+Clc1cc2oc(CO)cc2c(Cl)c1	1246
+C#CCOc1cnc(c(C)n1)C(=O)OC	5280
+FC(F)(F)c1ccc(cc1)-c2noc(CO)c2	2347
+c1cccc(c1-c2noc(c2)CO)F	1814
+O(c1c(OCC#C)ncnc1)C	1470
+O=S(=O)(c1cc(ccc1)Cl)Nc2cc(nc3sc(c(c23)-c4cccc(c4)OC)C#CCO)C	1236
+c1(nc(-c2nc(CCC)ccc2)nc(c1)C)OCC#C	1470
+Cc1cccc(C)c1C#CCO	121
+c1(C)nc(-c2cccc(n2)C#CCO)cc(OC)c1	769
+C(C#N)Cc1ccsc1C#CCO	1236
+c12oc(-c3cn4nc(sc4n3)OC)cc1c(OCC#C)cc(OC)c2	5281
+C1CCCC(n2c3ccc(C#CCO)cc3cn2)O1	197
+c1c2c(c[nH]c2ccc1)CC(CO)NC(c3cc(cc4c3OCCCC4)C#CCO)=O	197
+o1nc(-c2c(F)ccc(F)c2Cl)cc1CO	1814
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)C#CCO)cnc23	197
+c1cc(ccc1B(O)O)C#CCO	121
+c1cc(ccc1CNS(=O)(=O)c2ccc(cc2)C#CCO)C(=O)Nc3cccnc3	121
+c1cc(ccc1C#CCO)C(OC)=O	121
+c1cc(ccc1CNC(=O)c2cnc3c(OC)cc(C#CCO)cc3c2O)Cl	121
+c1cc(ccc1CNC(c2cnc3ccc(C#CCO)cc3c2O)=O)Cl	121
+c1cc(ccc1Cl)CNC(=O)C2=CN(c3c(cc(C#CCO)c(OC)n3)C2=O)C	2341
+c1cc(ccc1Cl)CNC(C=2C(c3cc(C#CCO)cc4OCCN(c34)C=2)=O)=O	121
+c1cc(ccc1Cl)CNC(C=2C(=O)c3cc(C#CCO)cc4N(C(=O)CN(C=2)c34)C)=O	121
+o1c2cccc(C#CCOC)c2c(C)c1C(=O)OCC	5282
+COCC#Cc1c2OCOc2c(N)c(Cl)c1	121
+Nc1c(cc(C#CCOC)cc1)F	121
+c1cc(ccc1Cl)-c2c(C#CCOC)ncc(C(=O)NC3CCCCC3O)c2	2348
+C#CCOc1cnc(c(C)n1)C(=O)O	1
+C1CC1C(C2CC2)(C#C)O	5283
+CC(C)(C)c1cc(cc(c1N(C)C)Cl)C(O)C#C	1471
+CC(C)(C)c1c(ccc(c1)C(C#C)O)N2CCCCC2	1471
+CC(C)(C)c1c(ccc(c1)C(C#C)O)N2CCCC2	1471
+CC1(C)CCC(C)(C)c2cc(C(O)C#C)cc(c12)OCCOCC	1471
+c1c(Cl)cc(cc1C#C)Cl	5284
+Clc1cccc(c1)-c2c(C(C#C)O)c3n(n2)cncc3	1817
+c1cc2n(c(c1)Cl)nc(c2C(O)C#C)-c3cccc(c3)C	1817
+C#CC(c1c2n(nc1-c3occc3)c(Cl)ccc2)O	1817
+c1cc(ccc1OC)-c2nn3ccc(Cl)cc3c2C(C#C)O	1817
+C1CN(CCO1)CCNc2ncc(cn2)C#Cc3c(ncc(N)c3)C	1472
+C#Cc1c(N)c(c2n[nH]cc2c1)C(=O)O	1
+c1(c(nccc1C(OC)=O)C#Cc2n(nc3c2ccc(OC)c3)C)N	2349
+FC(F)(F)c1ccc(cc1)C#Cc2c(c(c(N)nc2)C#N)C	129
+o1nc(cc1-c2cc(Cl)c(nc2)SC)CC	5285
+c1(OC)cc2c(C#Cc3c(ncc(c3)Cl)N)cn(c2cc1OC)C	5286
+C(C)c1ccc(c(c1)F)C#N	1818
+c1cc(ccc1-c2nc(C#Cc3nc(ccc3)N)c(nc2)N)S(=O)(=O)C(C)C	2350
+C1CCC(C1)CC(c2ccc(cc2)C#Cc3ncccc3)C(OC)=O	129
+c1cc(ccc1Cl)-c2cc(C(=O)OC)cnc2C#Cc3ccccn3	2351
+c1cc(ccc1N)C#Cc2ncccc2	129
+c1(ncc(c(C#Cc2ccccn2)c1)-c3cncc(c3)C=4OC(NN=4)=O)NC(NCC)=O	3234
+C1CC1NC(C=2C(c3cccnc3N(c4cccc(C#Cc5cccnc5)c4)N=2)=O)=O	455
+C1CN(CCO1)Cc2cc3C(C(=CN(C)c3c(C#Cc4cccnc4)c2)C(=O)NCc5ccc(cc5)Cl)=O	129
+N#Cc1c(c2c(sc(C#Cc3cccnc3)c2)nc1)Nc4cc(c(Cl)cc4Cl)OC	5287
+c12ccc(cc1[nH]c(c2)-c3cnccc3)F	5288
+n1c(-c2cccnc2N)c[nH]n1	3235
+c1cc(ccc1Oc2cccc(F)c2)Cc3cc(-c4cccnc4N)on3	1248
+c1cc(ccc1Cc2noc(c2)-c3c(nccc3)N)COc4nccc(c4)F	1248
+c1ccccc1COc2ccc(cc2)Cc3cc(-c4cccnc4N)on3	1248
+c1cc(ccc1OC)Cn2nnc(c2)-c3cc(Br)ncc3	2352
+FC(F)(F)c1nc2n(nc(C#Cc3n(cc(N4CCCC4=O)n3)C)cc2)c1C	2353
+FC(F)(F)c1c(CN2CCN(CC2)C)ccc(C(Nc3ccc(c(C#Cc4n5ncccc5nc4)c3)C)=O)c1	129
+FC(F)(F)c1cc(NC(=O)c2cc(c(cc2)C)C#Cc3n4ncccc4nc3)ccc1CN5CCN(CC5)CCO	129
+FC(F)(F)c1ccc(cc1)Cn2cc(nn2)-c3nc(c(C(=O)OCC)s3)C	3236
+C1OC(OCCCCC#CCCCCCCCC#C)CCC1	2354
+C1CCCCC1Oc2ccc(cc2)Cc3noc(c3)-c4ccc(N)nc4N	1248
+c1cc(ccc1CCc2ccccn2)Cc3noc(-c4ccc(N)nc4N)c3	1248
+c1ccccc1COc2ccc(cc2)Cc3noc(c3)-c4ccc(N)nc4N	1248
+n1n(c(c(C#Cc2cnn3c2c(OC)cc(-c4cnn(C)c4)c3)c1)C)-c5ncccc5	1249
+c1cc(ccc1OC)CNc2ncc3c(c(ncn3)Nc4ccc(Cl)c(c4)C#C)c2	182
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(ncnc2cn1)Nc3ccc(Cl)c(c3)C#C	142
+c1c(C#Cc2c(cccc2)CC#N)cc3C(c4c(-c3c1)ccc(C#N)c4)=O	455
+n1c(C#N)c(Cl)cc(c1)C#Cc2ccc(OC)cc2C	5289
+FC(F)(F)c1cnc(nc1C#Cc2ccc(F)cc2CC(N)=O)Nc3ccc(cc3)C4CCN(CC4)C(=O)OC(C)(C)C	838
+CC(C)(C)[Si](C)(C)OCCc1noc(c1)-c2cnc(Nc3cccc(F)c3)nc2NCCC	5290
+C(#CC(=O)Nc1cc2c(ncnc2cc1)Nc3cc(ccc3)Br)C(C)(CCOC)N	2355
+C(#CC)C1N(C(CCl)=O)C(CC1)C#N	143
+C1CCCC1(CO)NCC(N2C(C#N)CCC2C#CC)=O	402
+C(C#CCCC(OC)=O)CC(O)=O	4
+O=Cc1c(OC)cc(OC)c(c1)C#Cc2ccccc2NC(=O)C	26
+c1cc(ccc1S(=O)(=O)N)C(=O)C=Cc2c(cc(c(c2)C#Cc3c(N)cccc3)OC)OC	307
+O=S(=O)(c1ccc(cc1)C(C=Cc2c(cc(c(c2)C#Cc3c(N)cccc3)OC)OC)=O)NCC(=O)O	307
+c1cc(ccc1S(=O)(=O)NCCCn2cncc2)C(C=Cc3c(cc(c(c3)C#Cc4c(N)cccc4)OC)OC)=O	307
+c1cc(ccc1S(=O)(=O)Nc2ncccc2)C(=O)C=Cc3c(cc(c(c3)C#Cc4c(N)cccc4)OC)OC	307
+C(#N)C(C#N)=C(N1CCC(CC1)CN2CCCCC2)NCCN3CCCC3C	3237
+C1CC(CCO1)Nc2cc(ccc2C#N)-n3c(c(C#N)c(n3)C)N	3238
+Cc1c(C#N)c(n(-c2ccc(cc2F)OC)n1)N	3238
+c1c(OC)c(cc(c1)-c2c(c(n(CCO)n2)N)C#N)OCC	2356
+C(#N)C(C#N)=C1N(CCN1CCCO)CCN2C(CCC2)C	28
+c1cc(ccc1OC2CCCC2O)-c3c(c(nc(c3C#N)N)S)C#N	3239
+C(#N)C(C#N)=C(c1ccc(c(OCC)c1)OC)OC	3240
+FC(F)(F)c1c(c(ccc1)CN2C(N(c3ccc4N(C(=O)N(c4c3)C)C)C=C(C#N)C2=O)=O)C	1819
+c1(OCOC)ccccc1-c2cc(c(c(n2)N)C#N)-c3ccccc3C(=O)OC	5291
+N#CC(C#N)=C(SC)Nc1cc(ccc1)Cl	5292
+N#CC(C#N)=Cc1ccc(cc1Cl)Cl	1250
+FC(F)(F)Oc1ccc(cc1)C=C(C#N)C#N	1250
+FC(F)(F)c1c(C)c(CC(C#N)C#N)ccc1	5293
+N#CC(C#N)=Cc1cc(Br)c(c(OC)c1)OC	1250
+c1cc(O)c2ccc3c(OC(N)=C(C#N)C3c4cc(c(c(c4)OC)OC)Br)c2c1	5294
+c1c2C(c3cc(c(c(c3)OC)OC)Br)C(C#N)=C(N)Oc2c4c(ccc(N)n4)c1	5295
+c1(C)cncc(C)c1-c2c(C)cc(cc2C)C(C#N)C#N	5296
+C(#N)C(C#N)C(=O)c1ccc(OC)c(OCC)c1	5297
+c1ccccc1-c2nn(c3OC(N)=C(C(c4ccc(cc4)OC)c23)C#N)C	5298
+c1cc(ccc1-c2c3c(n(n2)-c4ccccc4)OC(N)=C(C3c5ccccc5)C#N)OC	5299
+c1cc(ccc1O)C=C(C#N)C#N	1250
+c1cc(ccc1C=C(C#N)C#N)OC2CCOC2	1250
+C(#N)C(C#N)=Cc1ccc(cc1)OC2CCCC2O	1250
+C(C(CCCC)CC(CC(CC)CCCC)=O)C	5300
+FC(F)(F)Oc1c(cc(cc1)Br)C(=O)NC(Cc2c[nH]c3c2cccc3)CC#N	14
+C(C(O)c1cc(ccc1)O)CN	51
+C(#N)COc1c(cccc1C)CO	41
+C(c1cccc(c1OCC#N)C)Br	543
+c1ccccc1COc2c([N+]([O-])=O)cc(OCC#N)cc2	22
+c1c2c3CN(C)CCc3n(CCN)c2ccc1C	51
+c1(ccc2c(n(cc2)CC#N)c1)N3C(c4cc(OC)ccc4C3)=O	1473
+C(#N)Cn1c2c(ccc(N)c2)cc1	0
+c1(C(=O)Cl)[nH]c(C#N)c(c1Cl)Cl	1077
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(C#N)c(C(CCC)=O)nc3CCC)=O	371
+CC1(C)C(C)(C)OB(O1)c2cc(-c3c(cccc3)C#N)cc(c2)F	17
+n1[nH]c(nn1)-c2c(cccc2)-c3cc(N)c(cc3)-n4cccn4	2357
+C(#N)c1c(-c2cc(Br)cc(F)c2)cccc1	1078
+C(#N)c1c(cccc1)-c2cc(ccc2)NC3=C([N+]([O-])=O)C(=O)N(C)C=C3	5301
+C(#N)c1c(-c2cc(O)ccc2)cccc1	477
+FC(F)(F)S(=O)(=O)Oc1cc(-c2c(C#N)cccc2)ccc1	166
+C(#N)c1c(-c2ccc(cc2C)CC(C(OCC)=O)C(CCC)=O)cccc1	1251
+C1COC2(O1)CCC(CC2)N3C(=O)C(Cc4sc(cc4)-c5c(C#N)cccc5)=C(CCC)n6c3ncn6	3241
+C1COC2(O1)CCC(CC2)N3C(C(=C(CCC)n4nccc34)Cc5cc(c(-c6ccccc6C#N)cc5)C)=O	3242
+C(=O)c1c(cccc1)C=2CCCCC=2	3243
+NC(=O)c1c(ccc(F)c1N)F	1079
+C(#N)c1c(-c2cc(N)cc(F)c2)cccc1	0
+C(#N)c1c(cccc1)-c2cc(ccc2)NC3=C(C(=O)N(C)C=C3)N	3244
+c1(I)ccc(C(=O)O)c2ccccc12	944
+CC(C)(C)[Si](C)(C)OC1C(C(Nc2c3c(cccc3)c(C#N)cc2)=O)N(CC1)C(=O)OC(C)(C)C	33
+C(#N)c1c2c(c(I)cc1)cccc2	1252
+c1cc(ccc1C#N)C(=O)NNC(=O)C(C(O)C)Nc2ccc(c3ccccc23)C#N	708
+c1cc(C#N)c2c(cccc2)c1CBr	29
+NC(=O)c1c2c(cc(CC(C)NCCOc3ccccc3OCC)c1)CCN2CCCO	216
+NC(=S)c1cc(c2sccc2c1)O	5302
+C(#N)c1c2ccccc2c(NC(C(C)O)C(O)=O)cc1	945
+C(#N)c1ccccc1-c2cc(ccc2F)Br	1078
+C(#N)c1ccccc1-c2c(ccc(N)c2)F	0
+CC1(C)OB(OC1(C)C)c2ccc(c(-c3c(C#N)cccc3)c2)F	17
+C1CN(CCC1Oc2cc(ccc2Br)F)c3nnc(C#N)s3	2339
+O=S(=O)(c1ccc(c(Cl)c1C=2CC(ON=2)C)C(=O)OC)C	1820
+CC(C)(C)OC(=O)NC(CC=C)c1cccc(-c2n(ncc2NC(C(C=C)C)=O)C)n1	3245
+CC(C)(C)OC(NC(c1ccnc(-c2c(cnn2C(F)F)NC(C(C=C)C)=O)c1)CC=C)=O	3245
+c1ccccc1-c2nc3CCCN(CCCC=CCC(=O)OC)c3nc2-c4ccccc4	5303
+c1cc(ccc1)C(CO)NC(C(CC=C)C)=O	9
+c1ccccc1C(NC(C(C)CC=C)=O)COC(C(C)CC=C)=O	27
+C(CC)C(CCC)C(NC(C(OC)=O)CC=C)=O	188
+CC(C)(C)OC(=O)N(C)C(CC=C)C	23
+CC(C)(C)OC(NC(C(=O)O)CC=C)=O	403
+Clc1cccc(Cl)c1C(=O)NC(CC=C)C(O)=O	946
+CC(C)(C)[Si](C)(C)OC1CC(C(=C1)CC=C)=O	947
+C(CCC=C)(=O)CCCCl	5304
+O=Cc1cc(cc(c1OCCC=C)F)Br	3246
+c1cc(ccc1OCCC=C)C#N	3246
+c1cc(ccc1)-c2c(nc3CCCN(c3n2)CCCC=C)-c4ccccc4	1821
+C(=C)CCCn1c2c(cccc2C=C)cc1	339
+C1N(CCCC=C)C(=O)CCCCC1	638
+CC(C)(C)OC(C(CN(S(=O)(=O)c1c(cccc1)[N+](=O)[O-])CCCC=C)C(=O)OC)=O	831
+c1cc(ccc1)C(c2ccccc2)(C(CCCC=C)O)CC(C)N(C)C	5305
+c1nc2N(C(N(C(=O)c2n1C)CCCC=C)=O)C	1474
+c1(cc2c(O)nc(nc2cc1)CCCC)-c3nnn(n3)CCCC=C	3247
+C(OC)(=O)C(C(C)O)CCCC=C	770
+C1(N(CCCCC=C)C(C(=CN1C)C)=O)=O	5306
+c1cc(ccc1C)S(=O)(=O)OCCCCC=C	36
+O=S(=O)(CCC(OC)=O)NCCCC=C	111
+CC(C)(C)OC(=O)N1CCc2cc(OCCCCN(C)CC=C)ccc12	5307
+c1cc(ccc1)C(=O)N(CCC=C)C	115
+C(O)(CCC=C)c1cc2c(c(c1C=C)F)n(cc2)C	5308
+c1ccccc1CCCCOCCC(O)CCC=C	5309
+OC(CCc1ncsc1)CO	3248
+Cc1c2c(c(OCC=C)cc1)c(c(c(n2)O)C)C	3249
+FC(F)(F)c1cccc(C2N(C(=O)C(CC=C)C2)c3ccc(cc3)Oc4ccc(cc4)Cl)c1	5310
+c1c(c(c(c(C(C)=O)c1)C)C)OCC=C	3249
+O=C(N(CC=C)C1C(C(C(O)C(O1)CO)O)O)NCCCl	5311
+CC1(C2CN(C(=O)C12)CC=C)c3cc([N+]([O-])=O)ccc3	5312
+O=S(=O)(c1c(c(c(C(O)=O)cc1)C)NCC=C)C	5313
+CCCCCCCCCCCCNc1c2c(nc(NCC=C)n1)ccc(c2)[N+](=O)[O-]	5314
+c1ccccc1COC(NCCCCCCCC(NCC=C)=O)=O	1475
+CC(C)NC(N1CCN(C(=O)C1)CC=C)=O	5315
+CC(C)(C)OC(N1c2c(cc(cc2)OCCCCN(C)CC=C)CCC1)=O	1822
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(CC2CCC(CC2)CCCCCN(CC=C)C)C	1822
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c3C=CN(C(c3ccc2C)=O)C(CN(C)CC=C)C	5316
+C1CCCC=C1CCC(OCC=C)=O	5317
+CC(C)(C)OC(NC(CCc1ccccc1)C(=O)OCC=C)=O	5318
+[O-][N+](=O)C([N+]([O-])=O)(C)COCC=C	5319
+c1cc(ccc1C2=NOC(C2)CO)Br	1820
+c1cc(ncc1Br)C2=NOC(CO)C2	5320
+c1cc(ccc1)Cn2cc(c3ccccc23)C=NOCC=C	506
+C(=C)CON1C(N2CC1C=C(C2C(=O)N)C)=O	5321
+O(c1nnc(SCC=C)c(c1C)C)CC	5322
+C1CCCCC1(CC=C)O	5323
+CC(C)(C)[Si](C)(C)OC(c1cc(Br)ccc1)CC(CC=C)O	3250
+c1cc(ccc1S(=O)(=O)C2C(COc3c(ccc(c23)F)F)CCC(CC=C)O)Cl	3250
+O=S(=O)(n1c2ncc(c(Cl)c2cc1)CC=C)c3ccc(cc3)C	276
+C1(N(C(N(c2c1nc(Cl)[nH]2)CCCCC)=O)CCCCC#N)=O	3251
+C1CN(CCP1(c2ccc(cc2)F)=O)Cc3ccccc3	5324
+CC(C)[Si](C(C)C)(C(C)C)Oc1ccc2cccc(C=C)c2c1	154
+c1cnc(c2c1c([N+]([O-])=O)ccc2)C#N	5325
+c1cc2cc[nH]c2cc1C3C(C(N(OC)C)=O)C3	3252
+c1cc(ccc1OC(=O)C=CC)C=O	2358
+c1c(OC)ccc(CCC(OC)=O)c1OC	159
+c1c(OC)c(ccc1C(=O)OC)Cn2c3cc(C=CC(NCCC)=O)ccc3cc2	190
+c1(CCC(OCC)=O)[nH]cc(c1)CCCC	1253
+CC(C)(C)OC(=O)N(CC(NCCNC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)C	9
+CC(C)(C)OC(=O)NCCNC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O	9
+c1cc(ccc1CO)NC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC	33
+C(C=O)C1CCCOC1	2359
+c1(CC[N+](=O)[O-])cc(C)cs1	5326
+C(NC(=O)C1C(CCCCCCCC)C1)CCCNC(=N)N	68
+Clc1cccc(Cl)c1-c2c(NC(NCCCCCCCC)=O)nc3c(cnc(n3)NCCCN4CCN(CC4)C)c2	1254
+CCOC(=O)C(C)c1c(OC)c(Oc2c(F)cccc2)ccc1	3253
+CC(C(=O)OCCN(C)CCOC)=C	2360
+C(CCCCCCCO)OC(=O)C(=C)C	2360
+C1CC(CCC1CCC)C2CCC(CC2)CCCOC(=O)C(C)=C	2360
+C1CN(CCN1CCNC(=O)C(C)=C)C=O	3254
+CC(C)(C)OC(N(CCN(Cc1c(-c2ccc(cc2)NC(C(=C)C)=O)nn(C3OCCCC3)c1)C)C)=O	5327
+CC(C)(C)[Si](C)(C)CCCOCC(O)CNC(=O)C(=C)C	3254
+c1cc(ccc1OC(=O)C(C)=C)C=O	3255
+c1cc(ccc1S(=O)(=O)ON=C(C#N)c2cccs2)OC(=O)C(C)=C	3255
+C(OC(=O)C(C)=C)(CC=C)C	5328
+C(c1ccc(C)c(c1)F)NC(C(CCBr)Br)=O	68
+FC(F)(F)c1ccc(cc1)CNC(C(Br)CCBr)=O	68
+O1N(CCC1)C(=O)C(Cl)C	1080
+c1cc(ccc1)CN(C(=O)C(C)Cl)C(CO)C	58
+C1CC12CCc3ccc(cc3C24N=C(C(N4)=S)C)Br	3256
+C1CC(CCC12Cc3ccc(OCCCF)cc3C24N=C(C(N4)=S)C)OC	3256
+CC(C)(C)OC(=O)NC(C(C)C(=O)OC)C(O)=O	403
+CC(NC(C(=O)NCC)CSC)=O	9
+c1(ncc(c(n1)C#Cc2c(cccc2)C(C(=O)N)C)Cl)Cl	838
+CC(C)(C)OC(N1CCC(CC1)n2cc(Nc3nc(C#Cc4ccccc4C(C)C(=O)N)c(cn3)C(F)(F)F)cn2)=O	838
+C(=O)(C)N1c2ccc(cc2CCCC1)O	173
+c12c(CCCCN1C(=O)C)cc(c(Br)c2)O	38
+C(CCS(C)=O)(C(=O)NCCCCCCCC)O	948
+CC(C)(C)OC(=O)CN(C(c1cccc(c1SC(C)=O)C)=O)C2CCCC2	3257
+CN(C)C=CC(=O)c1sc2ccc(Br)cc2c1C	277
+C1CC1(c2ccccc2CCc3nc(ncc3Cl)Nc4ccc(C(=O)C)nc4)C(N)=O	949
+O=C(C(CC(c1ccccn1)=O)=O)OC	5329
+c1c(oc2c1cc(cc2)F)CC	2361
+c1cc([N+]([O-])=O)c2cc(C(=O)C)oc2c1OC	2362
+C(=O)(C)c1oc2cc(C(=O)O)ccc2c1	1
+c1(C(=O)C)cc(c(Cl)s1)[N+](=O)[O-]	5330
+c1cc(c(CC)c2c[nH]nc12)Br	2363
+c1c2c[nH]nc2cc(C)c1I	2363
+C(OC)(=O)C1COCC(C1)O	167
+C(Nc1cccc(Cn2ncc3cnc(nc23)Nc4cnn(c4)C)c1)(C=C)=O	324
+C1C(CN1C(C=C)=O)CNc2nc(nc3c2scc3)Cl	709
+c1c(C#N)c(Cl)cc2c1c(ncn2)N3CC(C(=O)N)N(C(C=C)=O)CC3	5331
+C1C2(CC1)CNC(c3n2c4cc(ccc4c3)C(Nc5cc(c(cc5)F)NC(C=C)=O)=O)=O	324
+C1N(CC12CCCN2C)c3cc(OC)c(cc3NC(C=C)=O)Nc4nc(ccn4)-c5cnn6c5CCCC6	324
+C1C2CC3(CC(CC1(C3)O)C2)C(OC(=O)C=C)C	1255
+C1CC(CCC1CCCCCOC(=O)C=C)c2cccc(F)c2F	1255
+C1CN(CCC1)C(c2ccc(cc2)S(=O)(=O)N3CCC(CC3)NC(=O)C=C)=O	771
+O=S(=O)(c1ccc(cc1)NC(=O)C=C)NC2CCN(CC2)C(=O)OCc3ccccc3	324
+C1CN(CCN1C)c2nc(SC3CCN(CC3)C(=O)C=C)nc(c2)Nc4ncc(C#N)s4	709
+C1CN(CCN1C)c2ccc(Nc3nc4c(C=C(C(N4c5cccc(c5)NC(C=C)=O)=O)CC)cn3)c(OC)c2	324
+C1CN(CCN1C)c2ccc(cc2)Nc3nc4c(cccc4-c5cc(NC(=O)C=C)ccc5)cn3	324
+C1CN(CCO1)CCCOc2c(NC(=O)C=C)cc3c(c2)ncnc3N(C(C)=O)c4ccc(F)c(c4)Cl	324
+C1CN(CCN1c2cc(c(C#N)cc2)F)C(C=C)=O	709
+CC(C)(C)OC(=O)N1C(C(=O)OC)CC(CCNC(=O)C=C)C1	771
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC(=O)C=C	324
+CC(C)(C)OC(=O)N1CCC(CC1)CCNC(=O)C=C	771
+CC(C)(C)OC(NC(CCCCNC(C=C)=O)C(O)=O)=O	771
+CN(C)C1CN(CC1)c2cc(OC)c(Nc3nccc(n3)-c4c5n(nc4)cccc5)cc2NC(C=C)=O	324
+CN(C)C1CN(c2c(cc(Nc3nc(-c4c5ccccc5n(c4)C)ccn3)c(c2)OC)NC(C=C)=O)CC1	324
+CN(C)CCN(c1c(cc(Nc2nc(c(C)cn2)-c3cn(c4c3cccc4)C)c(c1)OC)NC(=O)C=C)C	324
+CN(C)CCN(c1c(cc(Nc2nccc(-c3c4c([nH]c3)cccc4)n2)c(c1)OC)NC(=O)C=C)C	324
+CN(C)CCN(C)c1cc(c(cc1NC(C=C)=O)Nc2ncc(C#N)c(-c3c4n(nc3)cccc4)n2)OC	324
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(c2c(F)c1)Oc4cccc(NC(C=C)=O)c4	324
+Clc1ncc(F)c(NC2CN(CCC2)C(=O)C=C)n1	709
+FC(F)(F)c1cc(Nc2nc(c(cn2)Cl)Nc3c(C(=O)NC)cccc3)cc(NC(C=C)=O)c1	324
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N(C2CCN(CC2)C(C=C)=O)C3CC3	709
+N#Cc1c(c2cc(cnc2nc1)NC(=O)C=C)Nc3cccc(c3)Br	5332
+C(Nc1cc(C)ccc1O)(C=C)=O	324
+O=C1C2CCCCC2C(=O)N1CCOCCOC(=O)C=C	1255
+c1cc(ccc1N(C)C(C2CCOCC2)=O)S(=O)(=O)N3CCC(CC3)NC(=O)C=C	771
+C(COC)Oc1ccc(Nc2nc(c(F)cn2)Nc3cccc(c3)NC(=O)C=C)cc1O	324
+c1(c(F)c(c(c(OC)c1)F)N2Cc3cnc(cc3C4(CC4)C2=O)CNC(C=C)=O)OC	771
+c1(c(Nc2c(cccc2)C(=O)NC)nc(nc1)Nc3cccc(CNC(C=C)=O)c3)Cl	771
+C(C(N(Cc1c(F)cccc1)CCn2c3ncnc(N)c3c(-c4cc(O)cc(c4)F)n2)=O)=C	709
+c12OCCOc1ccc(Oc3cc(Nc4cccc(NC(=O)C=C)n4)ncn3)c2	5333
+c1ccc(Cl)c(OCCC)c1CN(C)C(=O)C=C	5334
+c1cc(ccc1)Oc2cccc(c2)Nc3cc(Nc4cc(NC(C=C)=O)ccc4)ncn3	324
+c1cc(ccc1Oc2ccccc2)-c3c(c(nn3C4CCCN(C(=O)C=C)C4)N)C(N)=O	709
+c1cc(ccc1C(O)=O)C=Cc2ccc(cc2)OCCCCCCOC(C=C)=O	1255
+c1cc(ccc1N(CCCCCCOC(C=C)=O)CC)N=Nc2c(cc(cc2)[N+]([O-])=O)C#N	1255
+c1cc(ccc1C(=O)N2CC3(CC2CC(C)(C)C3)C)NC(=O)C=C	324
+c1cc(ccc1F)NC(=O)C=C	324
+c1cc(ccc1N2C(C(C)C)=Nc3c(Br)c(ccc3C2=O)NC(=O)C=C)Cl	324
+c1cc(ccc1OCCCCCCOC(=O)C=C)C=CC(=O)O	1255
+c1cc(ccc1Oc2c(cc(cn2)N3CCC4(C3)CN(C(=O)C=C)CC4)C(=O)N)Oc5cc(ccc5)F	709
+O=S(=O)(N1CCC(CC1)NC(=O)C=C)c2ccc(cc2)[N+]([O-])=O	771
+c1ccccc1NC(=O)c2ccc(cc2)-c3c(C(N)=O)ccc(C4CCN(CC4)C(=O)C=C)n3	709
+c1ccccc1N(C(=O)C=C)CCn2c3c(c(-c4cc(cc(O)c4)F)n2)c(N)ncn3	5335
+C(C(N(Cc1n(c2c(cccc2)c1)C)C)=O)=C	709
+n1c(NC(=O)c2ccc(-c3c4c(N)nccn4c(C5N(C(C=C)=O)CCC5)n3)cc2F)cccc1	709
+c1cc(ccc1Oc2c(cc(cn2)N3CCC4(C3)CCN(C4)C(C=CC)=O)C(=O)N)Oc5cc(ccc5)F	5336
+CC(C)c1ccc2nc(cn2n1)C	1823
+Cc1cn2ccc(cc2c1)C#N	5337
+c1(Br)c2n(cc(C(=O)OC)n1)cc(C)n2	5338
+n12cc(C)nc1c(cc(C(=O)OC)c2)OCc3c(F)cccc3	3258
+c1c(cc2c(oc(C(=O)C)c2)c1)Br	5339
+FC(F)(F)c1ccccc1C(=O)N2CCN(CC2)c3ccc4nc(cn4n3)CCCCC	1823
+c1cc(ccc1COC(CC(=O)OC)CCCCCCCCCCC)OC	1476
+CCCCC=1CC(n2c(N=1)ccn2)=O	5340
+C(C1c2ccccc2C(=O)N1)C(=O)OC	325
+c1cc(ccc1Cl)C(=O)CCC(C)=O	94
+C1COC(O1)(CCCCBr)C	381
+c1(ccc(c(C)c1)NC(c2cc([N+]([O-])=O)ccc2NC(=O)CF)=O)C	26
+n1nc([nH]c1)-c2c(NC(CN3C(=O)C=Cc4ccc(C#N)cc34)=O)scc2Br	1477
+c1cc(ccc1N2CCN(CC2)CCCNC(=O)CN3c4nccc(C)c4-n5cccc5C3=O)OC	9
+n1c([nH]c(C)n1)NC(C)COC	1478
+C1CN(CCN1C(COC)=O)c2c(C(C)=O)cc(c3cccnc23)Cl	58
+CC(C)(C)OC(=O)N1C(C)(C)OCC1CC(C(C)C)C(c2cc3c(cc2)n(cc3CCCOC)C)OC(COC)=O	204
+CC(C)(C)OC(=O)NC1c2ccccc2C(OCc3cc(ncc3)NC(=O)COC)CC1	195
+O=C(COC)N(OC)C	1080
+c1(nc2cc(Cl)c(Cl)c(NC(=O)COC)c2nc1OC)OC	308
+C(COC)(=O)Nc1cc(ccn1)Oc2ccc([N+](=O)[O-])c3ccccc23	195
+c1cc(ccc1Cl)CN2C(C(=NN(c3cccc(NC(=O)COC)c3)C2=O)OC)=O	26
+c1cc(ccc1F)NC(C2(CC2)C(=O)Nc3cc(c(cc3F)Oc4cc(ncc4)NC(COC)=O)F)=O	195
+c1cccn1-c2c(cc(cc2OCC)CN3CCC(CC3)Nc4nc5c(o4)cccc5NC(=O)COC)OCC	308
+s1c2sccc2c(C)c1	5341
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCC(OCC)=O)c1	1824
+C(=O)(Cc1ccc(c(c1)OC)Oc2ccc3c(cccn3)c2N)OCC	0
+c1cc(C(C)C(=O)OCC)cc2c1SCc3c(cccc3)C2=O	643
+C(=O)(Cc1cccc(NC(=O)c2cccc(-c3cc(ccc3)F)n2)c1)OCC	119
+CC1(C)OC(=O)C(C(=O)O1)C(=O)CCCCCCCCC	3259
+c1(OC)c(cc(OC)c(C(=O)CCCCCCCCC)c1)Cl	94
+c1cc(ccc1)COC(C(C)(C)CCOC(=O)CCCCCCCCC)=O	204
+O=S(=O)(Nc1scnn1)c2ccc(cc2)NC(=O)CCCCCCCCC	26
+c12OCOc1cc3C4(C(=O)N(c5c4cccc5)CCCNC(=O)c6sccc6Cl)COc3c2	1256
+O=C(NNC(=O)CCCCCC)c1cc2Cc3cc(CCCCCCCC)ccc3-c2cc1	3260
+C(=O)(N(C1Cc2cc(N)ccc2OC1)CCC)CC	0
+CC[Si](CC)(CC)OCc1nc(C(=O)C)n(COCC)c1	5342
+C1COCCN1Cc2cc(C(C)=O)c(Cl)s2	5343
+CC(C)(C)OC(Nc1c(CC(C)=O)c(F)ccc1)=O	5344
+c1(cccc(F)c1Cc2cc(c(OC)c(OC)c2)C(C)=O)F	586
+FC(F)(F)C(F)(F)C(=O)C=Cc1nccc(c1)Br	2364
+CC1(C)OB(OC1(C)C)c2cnc3N(CCCc3c2)C(N)=O	234
+O=S(=O)(OC(C)CCCCN1C(=O)c2n3c(N(CC3)C(C)=O)nc2N(C)C1=O)C	710
+c1(N2C(=O)NC(N(CC#C)C2=O)=O)c(Cl)cc(F)c(c1)NC(C)=O	5345
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)N2CC(CCC2)C(NCCC(=O)OC)=O	10
+c1ccc2C(=O)C(C(=O)c2c1)=NNC(=O)Nc3ccccc3O	5346
+CC(C)(C)OC(=O)CN(C(C(CSC(C)=O)C)=O)C1CC1	478
+CC(C)(NC(C(CC)Oc1cc2c(ccc(Br)c2)cc1)=O)COC	9
+O=S(=O)(NC1C(CCC1)C(O)=O)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4	71
+CC(C)(C)OC(=O)N1CC(NCC1)C(O)=O	5347
+C1C2COCC(CN1C(C=Cc3cc(OC)c(cc3NC(C)=O)Cl)=O)N2Cc4ccc(cc4)F	404
+C1CN(CCN1C(C=Cc2cccc(O)c2)=O)C	404
+c1ccccc1COc2cccc(C=CC(O)=O)c2	22
+c12CCC(Nc1ncc(C=CC(=O)N(C)Cc3c4ccccc4n5CCCc35)c2)=O	404
+c1c(CN(C(=O)C=Cc2cc3CN(C)CC(=O)Nc3nc2)C)c4[nH]ccc4cc1	404
+C(C=Cc1ccc(NC(C)=O)nc1)(OC)=O	3261
+C(c1ccc(cc1C)F)CC(=O)O	159
+C(c1ccc(cc1Cl)F)CC(=O)O	159
+c12n(C)c(CN(C(=O)C=Cc3ccc(nc3)N)C)cc1ccs2	404
+c1cc(C=CC(N(Cc2n(c3c(cccc3)c2)C)C)=O)cnc1N	404
+C(=CC(NCCC)=O)c1ccc2cc[nH]c2c1	711
+FC(F)(F)Oc1cc(C(C)NC(=O)C=Cc2ccccn2)ccc1	711
+C1CC1N2C(CC(=O)N(c3ccc(cc3F)I)C2=O)=O	2365
+C1CCCCC1N2C(=O)CC(=O)N(CCCC)C2=O	5348
+C1CCCCC1N2C(CC(N(c3ccccc3S(=O)(=O)F)C2=O)=O)=O	2365
+CC(C)CC=CC(O)=O	3262
+CC(C)Oc1cccc(c1)C(CC(=O)O)N	1479
+CCCCCCCCCCCC=CC(O)=O	3262
+C(CC(=O)CC(OCC)=O)CCCCCCCCCOC1OCCCC1	5349
+Cc1c(c(-n2c3c(cc(Cl)cc3)cc2)n(C)n1)C=CC(=O)O	3263
+OC(=O)C=Cc1ccc(C)c(C)c1	1081
+Clc1cc(cc(Cl)c1)C=CC(O)=O	1081
+FC(F)(F)c1ccc(C=CC(=O)O)c(c1)F	1081
+c1(ccccc1Cl)C(N)CC(O)=O	1479
+c1c(cc(cc1F)C(N)CC(=O)O)Br	1479
+Fc1c(ccc(C(N)CC(O)=O)c1)F	1479
+c1cc(ccc1)C(N)CC(O)=O	1479
+C(=O)(O)C=Cc1ccc(NC(C)=O)nc1	5350
+C(=O)(O)C=Cc1ccc(cc1C)F	1081
+C(=O)(O)C=Cc1ccc(cc1Cl)F	1081
+C(=O)(O)C=Cc1ncccc1	3264
+O=S(=O)(n1c2ccccc2cc1C=CC(O)=O)c3ccc(cc3)Br	3264
+C(c1cc(c(OC)cc1)OC)=CC(O)=O	1081
+c1ccccc1N2C(=O)CC(=O)N(C)C2=O	2365
+c1cc(ccc1-c2c(C=CC(=O)O)cnn2C)F	3263
+c1cc(ccc1C=CC(=O)O)OC(F)F	1081
+C(CC1c2c(CC1)cc([N+]([O-])=O)cc2)C(=O)O	31
+CC(C)(C)OC(CCCCBr)=O	5351
+c1cccnc1N2C(N(CC(Nc3cc4c(CC5(c6cccnc6NC5=O)C4)cc3)=O)CC2)=O	33
+C(C)C(CC)Nc1c(NC(=O)Cn2nccc2)cc(cc1)C(OC)=O	33
+[nH]1c(C(NC2CN(c3cccc(C(=O)OC)c3)C2=O)=O)c(Cl)c(c1C)Cl	712
+c1cc(ccc1NC(=O)c2c(Cl)c(c(C)[nH]2)Cl)C#C	187
+c1cc(c(c(C(Cl)=O)c1OC)F)OC	82
+C1CCC(C1)n2c(c(c3cnc(nc23)Cl)C)C(OC)=O	5352
+c1c(F)c(c(cc1)F)-c2noc(C)c2C(=O)OC	2366
+c1ccccc1C(n2c(C)c(c3c2nc(Cl)nc3)C(OC)=O)C	5353
+c1cc(ccc1)C(C)N2C(=O)CC(C2)CC(C)C(=O)OC	5354
+C(=O)(OC)C(C)c1c(F)cc(C)c(F)c1	3265
+C(=O)(OC)C(C)c1cc(F)c(cc1F)CBr	29
+C(=O)(OC)C(C)c1cc(F)c(cc1F)N	0
+c1ccccc1C2CC2C3CC(=C)C(=O)N3C	5355
+c1cc(ccc1C(=O)O)SCCCCCCCCCC(OC)=O	636
+C(OC1CN(CC1Nc2nc(cnc2CC)CC)C(OC)=O)C	66
+C(CNC(OC)=O)ON=C(C)c1nc2n(Cc3ccc4ncccc4c3)nnc2nc1	101
+O=C(OC)N1CC(C(OCCF)C1)Nc2c(nc(c(CC)n2)-c3ccc(OC)cc3Cl)CC	66
+C1C2CC3CC(CC1C3(C#N)C(OC)=O)C2	5356
+C1CCCCC1(C)c2cc(ccc2OC(=O)OC)F	644
+c1cc(ccc1)CN2CCC(CC2)(c3cccnc3)N(C)C(=O)OC	66
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ccc(cn5)CN(C(OC)=O)CCOC)s4)ncc3	66
+C1CC1NC(Nc2ccc(cc2)-c3nc(N4C(COCC4)C)c5CN(Cc5n3)C(OC)=O)=O	66
+C1CC1Nc2cc(nc3c(C=O)cnn23)NC(=O)OC	278
+C1CCC(C1)c2cc(Cl)ccc2OC(=O)OC	644
+C1CCC(C1)c2c(ccc(c2)CCC(OCC)=O)OC(=O)OC	644
+c1cc(ccc1OC)CCN(C(OC)=O)C2CCCC2	66
+C1CN(CCC1OC(=O)NC2(CCCCC2)C(OCc3ccccc3)=O)C(OC)=O	66
+C1CN(CCC12NC(=O)C(c3c(C)ccc(C)c3)=C2OC(OC)=O)OC	5357
+C1CN(CCN1C(=O)OC)C(C#Cc2cccc(c2)Cl)CC	66
+c1ccccc1Cc2c3ccccc3c(N4CCN(CC4)c5ncc(NC(=O)OC)cc5)nn2	950
+C1CN(CCC1CCC(O)=O)C(OC)=O	66
+C1CN(CCC1CO)C(=O)OC	66
+C1CN(CCN1c2ncc(cc2)-c3cn4c(nc3)ncc4C5(CC5)c6cc7cccnc7cc6)C(OC)=O	66
+C1C(CN1C(OC)=O)c2nc(no2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C	66
+CC(C)(C)C(C(=O)O)NC(OC)=O	544
+CC(C)(C)NS(=O)(=O)c1c(C(OC)=O)ccc(CCNC(=O)OC)c1	101
+CC(C)(C)OC(=O)N1CC(CCC1)C(c2cc(Cl)cc(c2)F)OCCNC(=O)OC	101
+CC(C)(C)OC(=O)N1CCN(C(=O)OC)CC1CCO	66
+CC(C)(C)OC(=O)NC1C(=O)N(Cc2ccc(cc2)-c3c(cccc3)CNC(=O)OC)c4c(cccc4)CC1	101
+CC(C)(C)OC(N(Cc1c(ccc(CCNC(=O)OC)c1)Cl)C2CC2)=O	101
+CC(C)(C)c1ccc(c(Cl)c1)OC(OC)=O	644
+CC(C)C(NC(=O)OC)C(O)=O	544
+CC1(C)C=C(C)c2c(N1)ccc(c2CNc3ccccc3OC)-c4ccc(OC(OC)=O)cc4OC	644
+CC1(C)Nc2ccc(c(COc3c(C)ccc(c3)F)c2C(=C1)C)-c4c(OC)cc(OC(=O)OC)cc4	644
+Clc1c(c2cc(C)n(C(=O)OC)c2cc1)[N+]([O-])=O	1825
+c1(ccc(C)n1-c2c(Cl)c(C(=O)OC)c(cc2)F)C	1826
+Clc1cc(NC(OC)=O)c(c(Cl)c1)[N+]([O-])=O	90
+c1c(Cl)cc(cc1-c2nn(cc2Cl)C(=O)OC)Cl	3266
+Clc1cc(ccc1)NCCCNC(OC)=O	101
+Clc1cccc(c1)-c2c(ccc(COC(=O)OC)c2F)OC	405
+Clc1c(c(F)ccc1)C(=O)OC	1826
+c12c(Br)cccc1c(n(C)n2)C(=O)OC	5358
+FC(F)(F)Oc1ccc(cc1)CC2CC(CCN2C(OC)=O)C(OC)=O	66
+FC(F)(F)S(=O)(=O)N(c1ccccc1CN2CC(C)(C)COC2=S)C(=O)OC	3267
+FC(F)(F)c1c(C(NC(CNC(=O)OC)C(=O)NC)=O)cn(C)n1	101
+FC(F)(F)c1ccc(c(CN(Cc2ccccc2)C(OC)=O)c1)-c3c(ccc(c3)CC(OC)=O)OC	66
+O=C1C=C(OCc2c(cc(cc2)F)CNC(OC)=O)C=C(C)N1c3c(ccc(C(=O)OC)c3)C	101
+c1(COc2nc3c(c(N4CCN(CC4=O)C(=O)OC)cn3CC)cc2)ncccc1	1827
+C(NC(CO)C)(=O)OC	101
+C(OC)(=O)NC1(C(CO)C1)c2cc([N+]([O-])=O)ccc2	101
+C(OC)(=O)Nc1cc(Cl)c(C)cc1	90
+N=1OCC2C(O)C(C(CC=12)OCOC)OC(=O)OC	405
+O=S(=O)(C)N(N1C(N(c2c(cc(-c3ccnn3C)c(C(C)C)c2)C1=O)C(=O)OC)=O)C(=O)C	5359
+O=S(=O)(Nc1ccc(F)c(NC(=O)OC)c1)CC	90
+O=S(=O)(c1ccc(cc1Br)F)N(c2ccc3c(c2C(=O)OC)OCC4CC34)C(=O)OC	3267
+S(CCOc1ccccc1NNC(=O)OC)C	5360
+c1(N2CC(CNC(OC)=O)OC2=O)ccc(I)c(F)c1	101
+c1(N2CC(OC2=O)Cn3nncc3)ccc(N4CC(NC(OC)=O)CC4)c(F)c1	101
+c1(c(F)ccc(c1)NC(OC)=O)[N+]([O-])=O	90
+c1cc(OC(=O)OC)c(C)cc1Br	644
+c1c(cc(c(Cl)c1)CNC(OC)=O)Br	101
+c1cc(cc(CC)c1OC(=O)OC)F	644
+c1cc(cc(Oc2cccc(C#N)c2)c1OC)COC(=O)OC	405
+c1cc(ccc1)-c2nc3ccccc3c(C(=O)NN(C(=O)OC)c4ccccc4)c2C	3268
+C1CN(CCN1C(=O)C2N(C(OC)=O)CC(CC2C(=O)OC)OC)c3ccccc3	1827
+c1cc(ccc1)S(=O)(=O)n2ccc3c4n(C5CC(NC(=O)OC)CC5)nnc4cnc23	101
+c1cc(ccc1-c2nn(CC)cc2-c3c4cc[nH]c4ncc3)NC(=O)OC	90
+c1cc(ccc1Br)C2(CCN(CC2C)C(OC)=O)O	66
+c1cc(ccc1Br)C2CCN(C(=O)OC)C2	66
+c1cc(ccc1CCNc2nc(nc(-c3cc(ccc3)S(=O)(=O)NC(=O)OC)c2)OC)OC	3269
+c1ccccc1-c2nc(no2)-c3ccc(cc3)NC(=O)OC	90
+c1ccccc1C(c2ccccc2)C(=O)N(CC)CC=CCOC(=O)OC	5361
+c1cc(ccc1)CC(C)N(Cc2cc(ccc2Oc3cc(ccc3)CC(OC)=O)Br)C(=O)OC	66
+c1cc(ccc1)CN(Cc2cc(Br)ccc2Oc3c(ccc(CC(=O)OCC)c3)OC)C(=O)OC	66
+n1(Cc2c3c(cccc3)ccc2)c(C(=O)OCC)c(CNC(OC)=O)c4cc(F)ccc14	101
+Fc1cc(ccc1F)COc2c(Cl)cc(C(=O)O)cc2	1
+Cc1cc(C#N)ccc1C(=O)O	1
+c1c(C#N)c(cc(C(=O)OC)c1C)[N+]([O-])=O	77
+C(c1c(C(=O)OC)ccc([N+]([O-])=O)c1)Br	29
+C(C1CN(c2c3c(nc(n2)-c4ccccc4O)cc(C)cc3)CCC1)NC(=O)OC5COCC5	101
+C1(C(C(n2cnc3cc(F)c(F)cc23)OCC1OC(=O)C)OC(=O)C)OC(C)=O	5362
+C(O)C(CO)CCC=C	1257
+c1cc(ccc1F)OCCC(C(OCC)=O)(C(OCC)=O)CCC=C	3270
+C(Cc1nc(ccc1)OC)(OCC)=O	2367
+CCOC(=O)C(C(=O)OCC)c1nc(NC(CCl)=O)sc1	290
+C1CCCc2c(C(=O)O)[nH]nc2C1	6
+O=C(CNC(c1c(OC(=O)C)c2c(cn(Cc3ccc(F)c(F)c3)c2c(n1)C#N)Cl)=O)O	1480
+C(O)(=O)c1sc(N2CCN(C2=O)Cc3ccc4nonc4c3)nc1C	6
+CCN(CC)CCOc1c(Cl)cc(Cl)c(c1)-c2nc(N)nc3sc(cc23)C(OCC)=O	8
+Nc1cc(cc(N)c1)C(=O)OCCCCCCCCOC(=O)C(=C)C	0
+C(c1c(C(=O)OC)cc([N+]([O-])=O)cc1)Br	29
+C(=O)(c1c(c(I)ccc1F)C)O	235
+c1(c(c(I)ccc1F)C)C(=O)OC	128
+c1c(OC(C)=O)c(c(C(=O)O)c(C)c1)C	225
+C(c1sc(C(=O)OC)c2c1CCC2)(C)=O	5363
+c1(c2c(c(F)ccc2)[nH]n1)C(=O)OC	226
+C(C)OC(c1c2ccc(O)cc2[nH]n1)=O	226
+C(=O)(c1c2ccc(O)cc2[nH]n1)O	5
+n12c(Br)nc(c1cccc2)C(N(OC)C)=O	3271
+c1cc(ccc1Cn2c(cc(n2)C(OC)=O)-c3ccc(Cl)c(C)c3)C	309
+C1(=C(C(NC(=O)N1)=O)CC)C(c2cc(C)cc(C=CC#N)c2)=O	3272
+C(=O)(c1cc(C)cc(C=CC#N)c1)c2nc(OC)nc(OC)c2CC	2368
+C(=O)(c1cc(C)cc(C=O)c1)c2nc(OC)nc(OC)c2CC	39
+C(c1c(C(=O)OC)cc(Cl)c([N+]([O-])=O)c1)Br	29
+CC1(C)OB(OC1(C)C)c2cc(c(Cl)cc2C)C(=O)OC	372
+n1c(c2occc2nc1Cl)Nc3cc(C(=O)O)[nH]n3	1
+C(=O)(c1cc([N+]([O-])=O)c(cc1Cl)OCC)OC	116
+Nc1cc(C(=O)OC)c(Cl)cc1OCC	0
+C(c1cc(cc(Br)c1CBr)F)(=O)OC	29
+c1c(C(OC)=O)nc(cc1Br)C(=O)O	1
+n1c(-c2cc(C)c(F)cc2)c(ccc1)-c3cc(C(=O)OC)c4n[nH]cc4c3	140
+c1cc(Cc2c3c(ccc(C(=O)OC)c3)n(C)c2)c(cc1C(=O)O)OC	1
+C(O)c1ccc([N+]([O-])=O)cc1F	98
+c1c2C(OC(=Nc2cc([N+]([O-])=O)c1)Cc3ccc(c(Cl)c3)Cl)=O	3273
+C(=O)(c1ccc(c2nn(C)cc12)F)OC	2369
+O(Cc1ccc(c2c1cn(C)n2)F)C	49
+Brc1ccc(cn1)C(=O)Nc2ncc(C(Nc3ncc(cc3)Br)=O)cc2	2370
+c1c(CO)cn2nc(nc2c1)Br	382
+c1ccccc1CNC(=O)c2ccc3n(ccn3)c2	56
+C(c1cc(ccc1)C(=O)OC)C(=O)O	4
+FC(F)(F)S(=O)(=O)Oc1cc2c(C(OC)=O)cccc2cc1	166
+C(=O)(c1cccc2ccccc12)c3c4cc(ccc4n(CCCCC)c3)O	5
+CC(C)(C)OC(=O)COc1cc2c(n(cc2C(c3cccc4ccccc34)=O)CCCCC)cc1	52
+c1cc(ccc1)CCNC(=O)c2ccccc2NC(=O)c3ccc(OC)c(Cl)c3	14
+c1(c(c(ccc1C)Cl)Nc2ccccc2C(OC)=O)Cl	128
+Cc1c(c(ccc1)Nc2ccccc2C(OC)=O)C	47
+c12c(c3c(Br)cccc3nc1cccc2)Cl	5364
+c1cc(ccc1)C(C(OC)=NC(C)(C)Cc2cc3OCOc3cc2)=O	5365
+c1cncc(NC(c2sc(cc2)Cl)=O)c1C(=O)O	1
+C1C(CC1)(C2CN(CC2)CC(O)c3c(C)c4COC(c4cc3)=O)NC(=O)c5ccc(-n6nnnc6)nc5	56
+C1CC(CCN1CC(c2ccc3c(COC3=O)c2C)O)(C)NC(c4ccc(-n5nnnc5)nc4)=O	56
+c1c(C(Cl)=O)ccc(C)n1	2371
+n1cc(Cl)nc(NC(C)c2cc(ccc2)NC(c3cnc(C)cc3)=O)c1	246
+FC(F)(F)C(C)(C)c1ccc(cc1)-c2noc(-c3cnc(O)cc3)n2	5366
+C1CC(CCN1c2cnc(CC)cn2)N(C3CC3)C(c4cnc(-c5ocnc5)cc4)=O	211
+C1CN(CCC1N(C2CC2)C(c3cnc(-c4ocnc4)cc3)=O)c5nc(no5)C(C)C	211
+CC(C)(C)OC(c1ccc(Br)nc1)=O	5367
+n1cc(C(=O)O)ccc1-c2ccc3cc(OC)ccc3c2	119
+C(=O)(c1cnc(cc1)CCC)O	587
+c1cc(cnc1C(=O)OC)C(Cl)=O	1082
+c1ccc(c2cc[nH]c12)-c3noc(-c4cnc(cc4)CCC)n3	1828
+C1CCC(C1)Oc2ccc(C(=O)O)cn2	91
+C1CCN1C(=O)c2cnc(Cl)cc2	211
+CC(C)(C)NC(=O)c1ccc(nc1)Cl	56
+CC(C)(C)Oc1ncc(cc1)C(=O)O	5368
+C(=O)(c1cnc(cc1)NCC)O	70
+FC(F)(F)Oc1ccc(cc1NC(=O)CN2CCOCC2)NC(c3cnc(cc3)Cl)=O	246
+C(=O)(c1cnc(cc1)NN)O	383
+c1(cc(F)ccc1)-c2ccc(C(=O)O)cn2	140
+c1cc(ccc1C(C)C)NC(=O)c2ccc(nc2)Cl	246
+c1cc(N)c(NC(c2cnc(Cl)cc2)=O)cc1	246
+c1ccccc1CNC(c2cnc(cc2)Cl)=O	56
+c1cc(ccc1)N2C=C(C(=O)c3ccc(cc23)Cl)CNC(c4cnc(cc4)Cl)=O	3274
+O=C(c1cnc(cc1)N)N2CCOCC2C	211
+CCC(=CC)C=CCNC(c1cnc(cc1)N)=O	3274
+C(C)OC(=O)c1cnc(cc1)N	342
+c1nc(ccc1C(=O)OC)NCC	342
+N1(N=CC(C1=O)c2c(OC)cc(C#N)cc2)c3ccc(C(=O)O)cn3	2372
+c1cc(ccc1C#N)C2C(=O)N(N=C2)c3ncc(C(O)=O)cc3	2372
+C1CC1CN2c3[nH]c(Cc4ccc(cc4)N(C(c5cnn(C)c5)=O)C)nc3C(=O)N(Cc6ccccc6F)C2=O	5369
+Cc1cc(cc(c1)NC(c2cc(nn2C)C)=O)O	772
+c1(Cl)ccc(cc1NC(c2cc(nn2C)C)=O)O	772
+c1ccc(NC(c2cc(nn2C)C)=O)cc1C#C	772
+C(=O)(c1nn(-c2cc(I)ccn2)c3ccc(OC)cc13)O	3275
+COc1cc2c(cc1)n(-c3cc(I)ccn3)nc2C(=O)N	247
+C1CC(CCN1CCNC(=O)NC)Nc2nc3c(cccc3)n2Cc4ccc(C)o4	588
+C(C)N(CC)c1nsc(NC(NC)=O)c1C#N	5370
+FC(F)(F)c1cc(ccc1F)NC(=O)c2c3ccc(cc3ccc2)Oc4ccnc(NC(=O)NC)n4	5371
+FC(F)(F)c1cccc(c1)NC(=O)Cc2nc(sc2)NC(=O)NC	1481
+N(C)C(Nc1cc2OCCc3c(-c2cc1)sc(c3)C(N(c4c(Cl)cccc4)C)=O)=O	406
+c12c(C(=O)N(C1=O)C3CCCN(C3)C(=O)NC)cccc2	384
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)NC(=O)NC)C	406
+c1cc(ccc1)NC(NC)=O	406
+c1ccccc1-c2c([nH]c(n2)SCCCCCN(C(NC)=O)CCCCCCC)-c3ccccc3	384
+C(C)OCc1nc2c(N)nc3c(c2n1NCCCNC(NCC)=O)cccc3	588
+C1CN(CCC1Nc2ccc(C(=O)c3c(F)cccc3)c(N)n2)C(NCC)=O	384
+C1CC2(CCN1C(NCC)=O)Oc3ccc(C=CC(=O)OC)cc3C(C2)=O	384
+C1CC1COc2cc3oc(N4CCC(CC4)OCC(C)NC(=O)NCC)nc3cc2	5372
+CC1(C)OB(OC1(C)C)c2cnc(NC(NCC)=O)cc2	1254
+FC(F)(F)c1cc(Cl)c(c(Cl)c1)Oc2cc(C)n(C(=O)NCC)n2	5373
+c1(cnc(NC(NCC)=O)cc1C(=O)OC)Br	1254
+CCNC(=O)Nc1ncc(I)c(Br)c1	1254
+CCNC(=O)Nc1nccc(Br)c1	1254
+c12c(sc(NC(NCC)=O)n1)c(nc(Br)c2)Br	1481
+COc1cc2sc(NC(NCC)=O)nc2cc1Br	1481
+C(NCC)(Nc1sc2cc(C#N)ccc2n1)=O	1481
+O=C(N1C(COc2c(c([N+]([O-])=O)ccc2)C#N)CCCC1)NCC	384
+c1(cc2c(ccc(c2)NC(NCC)=O)nc1O)C(=O)O	406
+c1c2C(c3cc(c(c(c3)OC)OC)Br)C(C#N)=C(N)Oc2c4nc(ccc4c1)NC(NCC)=O	1254
+c1cc(ccc1-n2c(nc3c2ncnc3NC4CCCN(C(NCC)=O)C4)-c5c(cccc5)Cl)Cl	384
+c1cc(ccc1Br)C2CC2CC(=O)NNC(=O)NCC	1829
+c1cc(ccc1-c2sc(nc2C)NC(=O)NCC)OC	1481
+c1cc(ccc1SC(CC)C)OCCOC(=O)NCC	3276
+c1ccccc1COc2cc(-c3c4c(N)ncnc4n(C5CC(C5)CNC(NCC)=O)c3)ccc2	588
+n1c2c(cccc2)c([nH]1)C=Cc3ccccc3NC(NCC)=O	406
+c1c(cccc1C2N3C(N(CCBr)C(=O)C3(C)Cc4c5cc(OC)ccc5[nH]c24)=O)O	2373
+c1c(cccc1C2N3C(N(CCBr)C(=O)C3(C)Cc4c5cc(OCC)ccc5[nH]c24)=O)O	2373
+C1CN(CCN1c2nccc(NC(=O)NCCC)c2)CC	406
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(=O)NNC(=O)NCCC	1829
+C1CCCCC1NC(NCCCC)=O	588
+CC(C)(C)OC(=O)N1CC(OC(=O)NCCCC)C(c2ccc(cc2)F)C1	3276
+O=C(n1c2cccc(c2cc1)C=O)NCCCC	5374
+O=S(=O)(c1ccccc1[Se]C)N=C=O	3277
+O=S(=O)(c1cc(I)ccc1C(=O)OC)NC(=O)NCCCC	1830
+O=S(=O)(c1c(csc1)C)NC(=O)NCCCC	1830
+O=S(=O)(N=C=O)c1ccccc1C(C)=C	3277
+O=S(=O)(NC(NCCCC)=O)c1ccccc1S(=O)C	1830
+CC(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)NCCCC	1830
+c1ccccc1COc2cc(-c3c4c(N)ncnc4n(C5CC(C5)CNC(NCCCC)=O)c3)ccc2	588
+c1(c(cccc1)-n2c3cccc(NC(NCCCCl)=O)c3cn2)F	406
+c1ccccc1C2c3[nH]c4ccc(OC)cc4c3CC5(C)C(=O)N(C(=O)N25)CCCCl	2373
+C1CC1CN(C(NCCCl)=O)C2OC(C(O)C(O)C2O)CO	5375
+c1cc(ccc1OC)CN(C(=O)NCCCl)C2OCC(C(C2O)O)O	5376
+C1CCCC1CC(C(NC(=O)NCCCl)=O)c2ccc(c(c2)Cl)Cl	5377
+C(Cl)CNC(=O)N1CCCC1=O	5378
+C1COCCC1NC(=O)NCCCl	588
+CC(C)(C)CCNC(NCCCl)=O	588
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)NC(=O)NCCCl	406
+CCOC(=O)c1c(C)nc(N2CCNC2=O)s1	3278
+C(Cl)CNC(=O)Nc1cccnc1	2374
+Clc1nccc(NC(=O)NCCCl)c1	406
+c1(ccncc1NC(=O)NCCCl)C	2374
+c1cc(ccc1C(OC)=O)-c2ccc(NC(=O)NCCCl)cc2C	406
+c1cc(ccc1-n2c(CCCNC(NCCCl)=O)c(C(NC3CC3)=O)nn2)C(=O)NCC	588
+c1cc(ccc1NC(=O)NCCCl)-c2nc3n(ncc3)c(NCc4c(cc(cc4)Cl)Cl)c2	406
+c1cc(ccc1NC(NCCCl)=O)NC(C)=O	406
+c1cc(ccc1)C(CC#C)NC(=O)NCCCl	588
+c1ccccc1CNC(c2sc(N3C(=O)NCC3)nc2C)=O	3278
+FC(F)(F)C1=CC(=O)N(C(N1)=O)c2c3OCCCc3c(Cl)cc2F	2375
+c1(cc2c(cccc2)cc1)NC(OCCN(C)C(=O)NCc3c(Cl)cccc3)=O	589
+C1N(CC1Oc2ccc(cn2)I)C(Nc3cnccc3)=O	5379
+OC(C)C1=C(C(C=C(C)O1)=O)O	3279
+OC(C)C1=C(C(C=CO1)=O)O	3279
+C1CC(CCO1)N(c2cccc(C(OC)=O)c2Br)CC	713
+C1CC(CCS1)N(c2c(c(cc(Br)c2)C(=O)OC)C)CC	713
+C1CC1(C#N)NC(=O)C2N(CC(S(=O)(=O)c3ccccc3Cl)C2)C(=O)C4(CC4)N5CCN(CC5)CC	61
+C1CN(CCN1c2ncccc2NCC)C(c3ncc(cc3)C(OC)=O)=O	839
+CC(C)(C)OC(=O)N1c2c(C3(CCN(CC3)Cc4ccccc4)C1)c(ccc2)C(C)O	1482
+CC(C)(C)OC(N1CC(c2ccccc2)N(CC)CC1)=O	61
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cccc(c2CC=C)C(=O)OC)CC	713
+CC(C)(C)OC(=O)n1nc(NCC)c2cc(C3C(=C(C)NC(=C3C#N)C)C#N)ccc12	2376
+CC(C)(C)OC(=O)N1CCC(CC1)N(CC)c2c(c(cc(Cl)c2)C(=O)OC)C	713
+CC(C)(C)OC(NC1C(N(Cc2ccccc2)c3c(cccc3C1)NCC)=O)=O	291
+C1(=O)c2ccccc2C(=O)N1C3CCC(CC3)OCC	5380
+CC(C)C(CN1CCC1)NCC	110
+CC(C)Oc1cc(ccc1[N+]([O-])=O)N2CCC3(N(CCC3)CC)C2	61
+CC1(C)OC2C(O1)C(OC2n3cnc4c(N)ncnc34)CNCC	110
+C[Si](C)(C)CCOCN1C(c2cc(ccc2N=C1n3ncc(C(OCC)=O)c3)NCC)=O	291
+FC(F)(F)c1ccc(C(N(OC)C)=O)c(c1)NCC	291
+FC(F)(F)c1cccc(C(Nc2ccc(c(-c3c(cnn3C)Cl)c2)OCC(C)(C)NCC)=O)c1	110
+c1(sc2c(c1)cc(O)c(Cl)c2Cl)C(O)C	5381
+c1cc(-c2nc3cccc(C(=O)N)c3[nH]2)c(cc1C4CCCN4CC)F	61
+OC(c1c(F)cnc(Br)c1)C	3280
+CC(O)c1c(Cl)c2c(cccc2)nc1	1831
+c1cc(cc(c1Cl)Cl)N=C(N)Nc2nc(cc(n2)C)NC3CN(CC)CCC3	61
+c1cc(ccc1)C(NC(=O)Nc2cc3c(c(NCC)n[nH]3)c(COC)n2)C	2376
+c1cc(ccc1NCC)C2(C(=O)c3c(cc(Cl)cc3NC2=O)Cl)C	291
+C1CC2(CCN1CC)Nc3c(sc(-c4ccncc4)c3)C(=O)N2	61
+C(C)(c1cc2c(nc1Cl)c(F)ccc2)O	1831
+C1CC1(c2ccc(cc2)-c3ccc(cc3)-c4c(c(C)no4)CN(CC)CC(C)c5ccccc5)C(=O)OCC	61
+c1ccccc1Cn2c(C)nc3cc(-c4oc5c(cccc5)n4)ccc23	5382
+c1ccccc1COc2c(C=CC=O)c(Cl)cc(c2)Cl	307
+CC(C)(C)c1nnc(NC(N(C(C)C=O)C)=O)s1	3281
+c1cc(ccc1)-n2cc3cc(cnc3n2)[N+](=O)[O-]	5383
+C(=O)C(NCCl)COC	5384
+ClCc1nnc(NC(=O)N(C(C=O)COC)CCl)s1	3281
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	110
+c1(cc(c(cc1)CNCC)-c2c(ccc(c2)CC(OC)=O)OC)OC	42
+FC(F)(F)C(O)c1c(cccc1)-c2csc(C)c2	714
+c1ccccc1C(=O)C2=Cc3c(cc(cc3OC2=O)OC)OC	5385
+C1CCCCC1c2ccccc2C=O	191
+c1(CO)cc2ccccc2nc1Cl	269
+FC(F)(F)C(O)c1c(cccc1)-c2cscc2C	714
+Oc1ccccc1C(CNC(=S)NC(c2cccc(O)c2)C)O	1832
+FC(F)(F)c1cccc(C(Nc2cccc(C(NNC(=S)Nc3c(cccc3)Cl)=O)c2)=O)c1	5386
+CN(C)S(=O)(=O)c1c(ccc(NC(Nc2c(cccc2)Cl)=S)c1O)Cl	773
+c1c(ccc(c1Cl)-c2nc(N(CCC)c3c(OC)ccc(C(=O)O)c3)sc2C)OC	1258
+c1cc(ccc1CN2c3sc(CC)cc3C(=O)N(C2=O)CC(c4n(C)c5c(cccc5)n4)=O)-c6c(cccc6)C#N	1833
+c1ccccc1CN2C(CN(CC2)c3cc(OC)cc(c3)OC)C(N)=O	1834
+C(N1C(C(N)=O)CN(CC1)c2cc(cc(Br)c2)OC)c3ccc(OC)c(c3)OC	1834
+c1ccccc1CN2CCN(CC2C(N)=O)c3ccccc3	1834
+C(C)OC(=O)c1nc(cs1)C(=O)O	5387
+COc1cc(ccc1Cl)Nc2scc(n2)C(=O)O	2377
+c1cc(ccc1O)-c2scc(C(=O)O)n2	1835
+C1CC(CCC1NS(=O)(=O)C(C)C)CNc2nc(cs2)-c3ccccn3	3282
+C1CN(CCO1)CC=C(C[N+](=O)[O-])C	3283
+O(C)C(OC)CN(C(=O)OCC)CC=CC	5388
+O=S(=O)(c1c(-c2ccccc2)c(cc(c1)C(O)=O)NCC=CC)N	5389
+c1cc(ccc1OCCOCCCC)-c2ccc3N(CCC(C(=O)OC)=Cc3c2)CC=CC	5390
+c1cc(ccc1C(N2CCC(C2)Nc3nc(c(C#N)cn3)-c4c5ccccc5[nH]c4)=O)NC(C=CCN(CCO)C)=O	2378
+c1cc(ccc1NC(C=CCN(C)C)=O)C(=O)Nc2cc(Nc3ccc(Cl)c(-c4c5ccccc5[nH]c4)n3)ccc2	2378
+c1cc(ccc1C(N2CCC(C2)Nc3nc(c(C#N)cn3)-c4c5ccccc5[nH]c4)=O)NC(C=CCN(C)C)=O	2378
+N(c1c(OC)cc2c(c(Nc3cc(Cl)c(F)cc3)c(C#N)cn2)c1)C(=O)C=CCBr	1259
+N(c1c(OCC)cc2c(c1)c(ncn2)Nc3c(F)c(c(Cl)cc3)Cl)C(=O)C=CCBr	1259
+N(c1c(OCC)cc2c(c1)c(ncn2)Nc3cccc(C#C)c3)C(=O)C=CCBr	1259
+c1c(c(cc(c1)Nc2c3c(cc(OCC)c(NC(=O)C=CCBr)c3)ncn2)Cl)OCc4cccc(F)c4	1259
+c1cc(ccc1Oc2ccccc2)N3c4c(N)ncnc4N(c5cc(ccc5)NC(=O)C=CCBr)C3=O	1259
+CC(C)(C)N(C)CC=CC(N1Cc2sc3ncc(c(Nc4ccc(F)c(Cl)c4)c3c2CC1)C#N)=O	5391
+C(Br)CCCCOc1ccc(cc1CCC(=O)OCC)CCCCC(=O)OCC	8
+c1(OC)n(c2nc(nc(N)c2n1)OCCCC)CCCCCBr	637
+C1CCCCC1(c2cc(Br)cc(Br)c2OC)C#N	2323
+C(CCCCBr)OC1=COC(CO)=CC1=O	3198
+CC(C)(C)OC(=O)N1CCC(CC1)OCCCCCBr	176
+C1CCCCN1CC(C)(C)O	2322
+C1CC(CCC1)(C(=O)OCC)C#N	5392
+Clc1ccc2c(OCCCCCBr)ccnc2c1	8
+c1ccccc1OCCCCCBr	8
+c1cc(ccc1SC(c2ccc(OC)c(c2)OC)CCCCCBr)C	5393
+C1CC(CCC1N(C(Oc2ccc(cc2)Cl)=O)C)OCCCCCBr	176
+c1ccc2ccc3c4c(ccc1c24)ccc3COCCCCCBr	176
+c1cc(ccc1C(c2ccccc2)=O)OCCCCCBr	8
+C(Br)CCCCCNc1c(O)cccc1	15
+c1c(c(ccc1)[N+]([O-])=O)NC(CCCCCN=[N+]=[N-])=O	310
+C(CCCC)CCOc1ccc2c(ncc(c2)C=O)c1	8
+O=Cc1cc(ccc1OCCCCCCC)Br	8
+c1ncn(c1)CCCCCCC#N	541
+CCC1(NC(C)(CC)CC2(C1C)C(N(C(N2)=O)CCCCCCCC)=O)C	3284
+O(CC)C(=O)C(C(=O)C)=NOCCCCCCCC	1071
+C(CCC)CCCCN=[N+]=[N-]	310
+O=Cc1cc(ccc1OCCCCCCCC)Br	8
+c1cc(ccc1-c2ccc(OCCCCCCCC)c(F)c2)C(=O)O	8
+n1cc(cnc1-c2c(F)c(F)c(cc2)OCCCCCCCC)-c3cnc(cc3)OCCCCCCCC	8
+C(Br)CCCCCCC(Cl)=O	130
+C1CN(CCC1Nc2c3c(nc(CC)c2CNC(CCCCCCCBr)=O)n(CC)nc3)C(N)=O	68
+CC(C)Oc1c(-c2cn(cn2)CCCCCCCC(OC)=O)cccc1	541
+O(C(=O)CCCCCCCN1C(Nc2ccccc12)=O)C	3285
+c1cc(ccc1OCCCCCCCCCCCCCC)C(OC)=O	8
+C1CC(CCN1CCCCCCCCCCCCO)C(=O)N	28
+CC(C)(C)[Si](C)(C)OCCCCCCCCCCCCBr	19
+c1cc(ccc1OCCCCCCCCCCCCO)C=O	8
+C1CN(CCO1)CCCCCCCCCCCCc2c3C(NC(c3ccc2)=O)=O	28
+C(CCCCCCCCCCCCCCl)CC=C	3286
+c1ccnc(c1)CN(CCCCCCN2CCc3c(cccc3)C2)Cc4ccccc4OC	28
+C(Br)CCCCCc1cccc(c1O)O	5
+c1(c(c(OC(C)=O)ccc1)OC(=O)C)CCCCCCBr	5394
+O(c1ccc(cc1CCC(=O)OCC)CCCCC(=O)OCC)CCCCCOc2ccc3c(OCCC3=O)c2CCC	8
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCCN4C(=O)C(=O)c5c4cccc5	28
+C(Br)CCCOCCCCCO	168
+C(Br)CCCOCCCO	168
+c12c(C(CCC3CCN(CCSc4c(ccc(F)c4)F)CC3CC(=O)OC)O)c(cnc1ccc(c2)OC)F	28
+O(C(=O)C1CN(CCSc2c(ccc(F)c2)F)CCC1CCC(=O)c3c4c(ccc(OC)c4)ncc3F)C	28
+O=Cc1c2c(c(cc1)[N+]([O-])=O)OCO2	3287
+c1c(F)c2c(OCO2)cc1F	3287
+c1cc(ccc1OC)SCCl	5395
+C1CC(CCC1)Cn2c3cc(c(F)cc3nc2-c4ccc(cc4OCc5c(cccc5)Cl)Cl)F	22
+CC(C)(C)c1nc2c(c(N3CC4(COC4)C3)n1)ccn2Cc5c(cccc5)Cl	1836
+CC(C)C(NC1Cc2c(CC1)n(c3ccc(cc23)OC)Cc4c(cccc4)Cl)=O	190
+c1c(C(=O)OC)cc2c(c(C(=O)CC)c(CC)n2Cc3ccccc3Cl)c1	190
+C(OP(OCC)(=O)Cc1ccccc1Cl)C	590
+O=S(=O)(C)N1CC(N(Cc2ccccc2Cl)c3ccc(C#N)c(Cl)c3)CC1	507
+c1c(C(=O)OC)cc2c(c1)c(c(n2Cc3ccccc3Cl)CCC)C(C)=O	190
+c12cc(n(Cc3ccccc3Cl)c1cc(C(=O)OC)cc2)CCC	190
+C1CN(CCN1Cc2c(ccc([N+](=O)[O-])c2)F)C	131
+CN(C)Cc1c(F)ccc([N+]([O-])=O)c1	131
+c1(COC)c(F)ccc([N+]([O-])=O)c1	149
+C(c1c(OC)c(Br)cc(c1)Br)C#N	163
+c1cc(ccc1)CN2Cc3c(C#N)cccc3C2	3203
+C(Br)c1cc(CO)c(cc1F)Br	49
+c1cc(ccc1-c2noc(c2)C(N)=O)OCc3cc(c(cc3)C)C	22
+CC(C)(C)c1cc2c(c(F)c1)C(N(N=C2)Cc3c(F)cc(c(CO)c3)Br)=O	3288
+C(C#N)c1cc(c(Cl)cc1F)OC	163
+c1(cc(c(OC)cc1F)Br)CSC	639
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(Br)cc(c3OC)C)=O	149
+O=S(=O)(Cc1c(F)ccc(F)c1)c2ccc(cc2)Cl	5396
+CC(C)(C)OC(C1=C(c2ccc(cc2)C)c3c(n(cc3)Cc4ccc5c(non5)c4)C(N1C)=O)C(OC)=O	3289
+C(=O)(OCC)c1sc(N2CCN(C2=O)Cc3ccc4nonc4c3)nc1C	1083
+[N-]=[N+]=NCc1ccc(Cl)c(Oc2c(c(F)cc(c2)Br)Cl)c1F	545
+[N-]=[N+]=NCc1ccc(Cl)c(Oc2cc(cc(Br)c2)C#N)c1F	545
+O(CC)P(OCC)(Cc1c([N+](=O)[O-])cc(OC)cc1)=O	590
+O=Cc1ccc(OCC)cc1[N+]([O-])=O	1837
+c1c(CCNCc2ccc3c(c2)nc(NC(C)=O)cc3)cc(cc1)F	370
+CNCc1ccc2cccc(Br)c2n1	3290
+O=Cc1c(c(C)ccc1)Cl	1483
+C1COCCN1c2cc3c(nc(C)n3Cc4cccc(C)c4F)c(C(=O)OC)c2	505
+C1CN(CCO1)c2cc(c3nc(n(Cc4cccc(c4Cl)Cl)c3c2)C)Br	505
+C1CN(CCO1)c2nc3c(c(c2)C(=O)OC)nc(n3Cc4c(c(Cl)ccc4)Cl)C	1484
+FC(F)(F)c1nc2c(C(OC)=O)cc(cc2n1Cc3c(c(Cl)ccc3)Cl)N4CCOCC4	505
+O=Cc1c(F)c(Cl)ccc1	5397
+Clc1ccc(c(C=O)c1)OCc2cccc(F)c2F	22
+C(n1c2c(c(I)n1)cnc(C)n2)c3cccc(F)c3F	1485
+c1(cc(nc(SCc2cccc([N+]([O-])=O)c2Cl)n1)O)C	3291
+O(CC)C(C(Cc1cccc([N+]([O-])=O)c1F)C(C)=O)=O	1251
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cccc3C(=O)COc23	131
+CC(C)(C)OC(=O)NC(C(NC1C(N(c2c(cccc2N3CCCC3=O)C1)Cc4ccccn4)=O)=O)CC(C)C	5398
+CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(c2CC1)OCc3ncccc3	951
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCc3nc(oc3C)-c4ccc(cc4)OCc5ncccc5	951
+c1cccc2C(=O)Nc3cccnc3N(C(=O)CCC#C)c12	3292
+C(O)C(NC(=O)c1cc(ccc1)C#CCCCC(=O)O)C	121
+c1cc(ccc1)Cn2cc(CCCC(O)=O)nn2	642
+C(CCCC(=O)O)CCC1C(C(O)C#CCCCCC)CCC1OC2CCCCO2	5399
+COc1ccc(C(=O)OC)c(C#CCCCCC)c1	1247
+C(OC)CCCCC#C	76
+C(OC(OCC)C#CCCCCCl)C	5400
+C(O)CCCC#Cc1cc2c(nc1)cccc2	2379
+c1(ncn(n1)-c2ccc(cc2OC)C#CCCCCO)C	197
+c1cc(ccc1C)S(=O)(=O)OCCCCC#C	36
+C1C2=C(CCC1)C(=O)N(C2=O)c3c(cc(c(c3)N4C(NC(=O)N(C4=O)CC#C)=O)Cl)F	2380
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)C1)CC#C	19
+o1cccc1C(CCC#CCCC(OC)=O)=O	5401
+c1cc(Cl)c(Br)cc1CCCCO	213
+c1cc(cc(C)c1OC)CCCCO	213
+O=S(=O)(OCCC#Cc1nc(ccc1)CF)C	7
+c1c(OC(C)=O)cc(cc1)CCCCO	213
+Clc1cccc(Cl)c1COc2ccc3n(CCCC#N)c(cc3c2)C(OCC)=O	339
+c1c(c(ccc1)N(C(c2cc(c(cc2)Cl)Br)=O)C)OCCCC#N	8
+c1cc2c(csc2cc1F)N3CCCN(CCCC#N)CC3	28
+c1ccccc1C2=CCN(CC2)CCCC#N	1822
+c1ccccc1CN(Cc2ccccc2)CCCC#N	28
+c1cc(ccc1OCCCC#N)CCCCNC(=O)OCc2ccccc2	8
+C(CC=O)CC(=CCc1c(OC)c(c(c(OC)c1C)C)C)C	3293
+Nc1ccnc(SCCCC#N)n1	3294
+C(CC#N)c1c(scc1)CCCO	3295
+C1CC1(C#N)c2c(F)cc3c(OCO3)c2	1486
+COc1cc2c(cc1)nc(Cl)cc2CCN	51
+c1c2c(cccc2)c(c(C)c1)CC(O)=O	3296
+C(N)(=O)Cc1cc(N)c(cc1)N	645
+COc1ccc(Br)c(c1)CC(=O)O	270
+c1(CC(OC)=O)ccc(C)c(C)c1	1838
+c1(F)c(F)c(c(cc1)CC(=O)O)C	508
+O=S(=O)(C)Nc1ccc(c(C)c1F)CC#N	80
+C(C#N)c1ccc(N)c(F)c1C	0
+c1cc(ccc1S(=O)(=O)N2CCC(CC2)(c3c(C)cc(cc3)F)C#N)C	3297
+c1c(c(c(Cl)cc1)C)CC(=O)O	479
+O=S(=O)(C)Nc1c(c(CC#N)ccc1)C	80
+c1(OCCOC)cccc(C(C(C)=O)C#N)c1OC	1260
+C(C#N)c1cccc(N)c1C	0
+c1c(c(C)c([N+]([O-])=O)cc1)CC(=O)O	508
+c1c(c(c(cc1)OC)F)CC(=O)O	479
+C1CCCC1Oc2cc(C3=NOC(CC(OC)=O)(C3)C(=O)OC)ccc2OC	5402
+C1(N(N=C(C#N)C(N1)=O)c2c3c(OC(C3)C)c(Cl)cc2)=O	3298
+c1(c(C(CCC2CCN(CCSc3c(ccc(F)c3)F)CC2CC(=O)OC)N)c4cc(ccc4nc1)OC)F	840
+CC(C)(NC(C(C)Br)=O)C(=O)O	5403
+O=S(=O)(c1ccccc1[N+]([O-])=O)N2c3ccc(C(C(C)Br)=O)cc3CC2	1792
+c1(ccccc1C)C(N2CCc3cc(C(C(C)Br)=O)ccc23)=O	1792
+c1c(C(=O)C)cc(NC(C(Br)C)=O)cc1	829
+c1c(c2n(cc1C(=O)N)c(C)c(n2)C)N	5404
+c1(Cl)nn2c(c(nc2c(OC)c1)C)C	5405
+c1(c(n2c(n1)ccc(I)n2)C)C	5406
+n1cc(ccc1)-c2c(C)nc(-c3ccc(OC)c(OC)c3)n2O	5407
+CC(C)(C)OC(=O)N1CC(N2c3nc(ccc3CC2C1)C(CCCCl)(C)O)C	938
+CN(C)CCCC(=O)C	53
+C(c1cccc(SCC(=O)C)c1)C(=O)O	1839
+C(c1cccc(c1)SCC(=O)C)(=O)O	1839
+C(CN1CCC2=C(C(Oc3cc(OC)ccc23)=O)C1)(=O)C	3299
+CC(C)(C)NS(=O)(=O)c1cc(cn2cc(nc12)C)Br	1261
+C(C)C(CC)c1cc(C)nn2c1nc(C)c2	3300
+C(Oc1cccc(C)c1)C(=O)C	1084
+c1(SCC(=O)C)ccc(F)c(Cl)c1	1839
+FC(F)(F)c1cccn2c1nc(C)c2	1261
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCC(=O)C)CC2	1084
+Fc1cccc(F)c1COc2c3nc(cn3ccc2)C	1261
+C(=O)(C)c1oc2c(cc(cc2)F)c1	5408
+c1c(nc(s1)-c2c3c(nc(N)n2)n(Cc4c(F)cccc4)cn3)C	2381
+n12c(c(Cl)ncc1)nc(C)c2	5409
+c1(cccc(c1)SCC(=O)C)Br	1839
+Cc1cc(ccc1-c2scc(C)n2)C(=O)OC	3301
+c12c(cc(C)c(Cl)c1)OC(C3=C2CCN(CC(=O)C)C3)=O	3299
+c1c(Cl)c(OCc2cccc(F)c2)ccc1Nc3ncnc4cccc(OCC(=O)C)c34	1084
+ClC(Cl)=CCOc1cc(Cl)c(c(Cl)c1)OCC(C)=O	1084
+c1c(cc2C3(c4cc(cnc4Oc2c1)OCC(=O)C)N=C(N)OC3)Br	5410
+c1cc(ccc1)Oc2cc(Cl)cnc2Nc3scc(C)n3	5411
+c1cc(ccc1OCC(=O)C)CO	1084
+c1cc(ccc1OCC(=O)C)F	1084
+c1cc(ccc1OCC(C)=O)OCC=C(C)C	1084
+c1c(nn2cc(C)nc2c1)Cl	3300
+c1(ccccc1NC(C)Cc2onc(C)c2)Br	231
+c1ccccc1-c2c3n(cccc3)cc2Cc4c(F)cccc4Cl	5412
+c1cc(ccc1OCCCCl)-c2nc(CC(=O)OC)co2	3302
+c1cc(ccc1-c2occ(CC(=O)OC)n2)O	3302
+[N-]=[N+]=NCCOCC(=O)CC(OCC)=O	3303
+C1CC1c2occ(n2)CC(=O)OCC	5413
+C1CCCCC1n2ncc(c2-c3ccc(cc3)F)-c4scc(CC(=O)OCC)n4	3304
+C1CN(CCC1)CC(CC(OCC)=O)=O	2382
+CC(C)(C)SCC(=O)CC(OCC)=O	5414
+CC(C)(C)n1c(Br)c(cn1)-c2nc(CC(=O)OCC)cs2	3304
+ClC(Cl)(Cl)c1nc(cc(O)n1)CCl	3305
+n1c(-c2ccco2)cc3N=C(CC(n13)=O)CCl	1085
+n1n2c(sc1C)nc(CC(OCC)=O)c2	5415
+C(Cl)C1=CC(Oc2c1ccc(c2Cl)O)=O	3306
+CCOC(=O)C(C1=C(SC2=NC(CCl)=CC(N12)=O)C)C	5416
+C(Cl)C1=CC(Oc2cc(ccc12)O)=O	3306
+C1=CC=C(C)N2C(C=C(CCl)N=C12)=O	5417
+FC=1C=CC2=NC(=CC(=O)N2C=1)CCl	5418
+c1cc(ccc1)-c2c3c(ccc(Cl)c3)nc(CCl)c2C(OCC)=O	5419
+c1ccccc1CCCOC(=O)CC(CCl)=O	3307
+c1c(OC)c(c(cc1C)OC)OC(=O)C(C(C)OC)Br	385
+c1c(ccc2N(C(CCc12)=O)C)C(C(Br)C)=O	94
+Cc1cccc(C)c1NC(CCBr)=O	26
+c1(c(NC(=O)CCBr)ccc(c1)F)[N+]([O-])=O	26
+c1cc(ccc1NC(=O)CCBr)N	26
+C1CC(CCN1C(=O)CCC(Br)C)C	58
+c1cc(ccc1)CC2COC(=O)N2C(=O)CCC=C	1840
+C1CC(CCN1c2snc(C(C)C)n2)NC(CCCBr)=O	68
+C1CC(CNC(CCCBr)=O)Cc2[nH]c3c(c12)c(ccc3C(=O)N)Br	68
+c1cc(ccc1O)NC(CCCBr)=O	26
+NC(=O)c1ccccc1NC(=O)CCCBr	26
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(=O)CCCCl	3308
+C1CN(CCN1Cc2ccccc2)CCC3(CCCC3)CNC(CCCCl)=O	68
+C1CN(CCN1c2c(OC)cncn2)CCCc3c4cc(NC(CCCCl)=O)ccc4[nH]c3	26
+CC(C)(C)OC(CCCCl)=O	5420
+CC(C)(C)OC(=O)NC(C(=O)NC1Cc2c(NC1=O)c(NC(CCCCl)=O)ccc2)CC(C)C	26
+c1(c(ccc(OC)c1Cl)C(=O)CCCCl)Cl	94
+C(C(=O)N(OC)C)CCCl	1080
+c1(c(c(C(=O)OC)cc([N+]([O-])=O)c1)F)NC(CCCCl)=O	26
+[nH]1cc(C(CCCCl)=O)c2cc(ccc12)F	432
+c1c2NC(CCc2cc(C(CCCCl)=O)c1)=O	94
+c1cc(ccc1-c2c(c3cc(Br)c(N4CCCC4=O)cc3o2)C(OCC)=O)F	5421
+c1cc(ccc1C(OC)=O)-c2c(cc(NC(=O)CCCCl)cc2)C	26
+c1cc(ccc1C(OC)=O)-c2c(nc(NC(CCCCl)=O)cc2)C	195
+c1ccccc1CN2CCC(CC2)N(C(C)C)C(=O)CCCCl	58
+CCN(CC)CC(=O)Nc1ccccc1S(=O)(=O)Nc2ccc3c(c2C(O)=O)CCCC3	5422
+c1c(CCNC(CCl)=O)ccc2OCOc12	68
+OCC(CO)(NC(=O)CCl)c1cccc(Br)c1	68
+C1(=O)C(C2N1C(=C(CS2)COC(C)=O)C(=O)OC)NC(CCl)=O	952
+C(Cl)C(=O)N1CC(CC1)F	58
+c1c2NC(Cc2cc(c1)C(CCl)=O)=O	94
+C1CC(C)N(C1C(=O)N)C(=O)CCl	3309
+C12C(CN(C1)C(CCl)=O)CCC2	58
+CC1CCC(C)N1C(CCl)=O	58
+C1CC(CCC1)Cn2c3c(OC)cccc3c(C(=O)CCl)c2	432
+C1CC(CCC1NC(CCl)=O)Nc2nn3c(ncc3-c4cccc(Cl)c4)cc2	68
+C1CC(CCC1NC(CCl)=O)O	68
+C1CN(CCC1COc2cc3c(c(ncn3)Oc4cc5c(c[nH]c5cc4)C)cc2OC)C(=O)CCl	58
+C1COCCC1Cn2c3c4c(ncc3nc2CCl)cccc4	546
+C1CC1(C(OC)=O)c2ccc(cc2)C(CCl)=O	94
+C1CC1C(CO)(NC(CCl)=O)c2cc(Br)ccc2F	68
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(cc5)CN6CCN(CC6)C(=O)CCl)s4)ncc3	58
+C1CC1c2sc(nn2)N3C(CCN(C)C3=O)OC(=O)CCl	204
+C1CCCC1n2c(NC(CCl)=O)c(nn2)C(N)=O	1841
+C1CN(CCN1C)CC(=O)Nc2sc3c(C#N)c(Oc4cc(ccc4)NC(=O)c5cc(C(C)(C)C#N)ccc5)ccc3n2	5423
+C1CN(CCO1)C(COc2cc(ccc2)NC(=O)CCl)=O	26
+CC(C)(C)OC(=O)NC1CN(C(CN2CCC(CC2)O)=O)CC1	5424
+C1CN(CCN1c2nc(N3CCC(CC3)C)c(cc2)[N+]([O-])=O)C(=O)CCl	58
+C1COC(O1)(C)C(O)CN(C(CCl)=O)Cc2ccccc2	58
+C1COCCN1c2cc(-c3c4c(ccc3)Sc5c(S4)ccc(NC(CCl)=O)c5)nc(O)c2	26
+O(c1cc(C23C(CC(CC2)NC(=O)Nc4ccc(F)c(F)c4)N(C(=O)CCl)CC3)ccc1OC)C	58
+C1c2c(CC1Nc3ncc4c(n3)CCN(C(=O)CCl)C4)cccc2	58
+CC(C)(C)NC(CCl)=O	68
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(NC(=O)CCl)c(cc2)Cl	26
+CC(C)(C)OC(N1CCN(CC1)C(CCl)=O)=O	58
+CC(C)(C)OC(=O)NCCc1ccc(cc1)NC(=O)CCl	26
+CC(C)(C)OC(=O)Nc1ncc(cn1)-c2nc3c(ncc(-c4cccc(NC(=O)CCl)c4)c3)c(N5CCOCC5)n2	26
+CC(C)(C)OC(N1CCC(CC1)(CN(C(CCl)=O)CC)O)=O	58
+CC(C)(C)OC(N1CCC(CC1)C(=O)NNC(=O)CCl)=O	5425
+CC(C)(C)OC(N1CCC(CC1)N(C2CCCCC2O)C(=O)CCl)=O	58
+CC(C)(C)OC(=O)NCCN(C1Cc2ccc(Br)cc2C1)C(CCl)=O	58
+CC(C)(C)[Si](C)(C)OC1CN(c2ccc3c(ccc(c3NC(=O)CCl)Cl)n2)CC1	26
+CC(C)(C)[Si](C)(C)OCC(C)n1c(nc2c1c(c(nc2Cl)C)C)CCl	546
+CC(C)(C)c1cc(c(c(NC(CCl)=O)c1)OC)S(=O)(=O)NC(C)(C)C	26
+CC(C)(C)c1c2OCC(=O)Nc2cc(c1)C(=O)C	646
+CC(C)(C)c1cccc(CN2C(=O)OC3C(CS(=O)(=O)CC23)Cc4cc(c(NC(=O)CCl)c(CC)c4)F)c1	26
+CC(C)Nc1cc(ncc1-c2nnc(CCl)o2)Cl	5426
+CC(C)[Si](C(C)C)(C(C)C)n1c2c(c(N(c3ccccc3)C(=O)CCl)ccc2)cc1	5427
+CC(C)c1cccc(C(C)C)c1NC(CCl)=O	26
+CC1(C)CN(c2cc(Cc3ccc(cc3)F)c(cc12)C#N)C(CCl)=O	192
+C[Si](C)(C)CCOCn1ccc(-c2nc3ccc(c(NC(=O)CCl)c3cc2)Cl)n1	26
+Cc1cc(cc(C)c1C(=O)CCl)NC(C)=O	94
+Cc1cc(cc(C)c1-n2c3nc(C)cc(c3nc2C)NC(CCl)=O)C	308
+c1(C)cc(cc(C)c1-n2cnc3c(cc(nc23)C)NC(CCl)=O)C	308
+Cc1cccc(C)c1NC(=O)CCl	26
+Cc1nc(nc(O)c1C)-c2ccc(NC(CCl)=O)cn2	308
+Clc1cc2C(=O)N(c3c(Cl)cccc3)C(=Nc2cc1)CCl	1842
+Clc1cc(cc(Cl)c1N2C=3C(=C(N2)C(C)C)C(=O)N=C(Cc4ccc(cc4)NC(=O)CCl)N=3)Cl	26
+c1(Cl)cc2C(=O)COc2cc1O	5428
+FC(F)(F)CN(CC)C(CCl)=O	58
+FC(F)(F)Oc1c(NC(CCl)=O)cc(cc1)C(=O)Nc2ccc(-c3ccccc3F)nc2	26
+FC(F)(F)c1cc(NC(CCl)=O)ccc1Cl	26
+FC(F)(F)c1c2N=C(N(c3c(Cl)cccc3)C(=O)c2ccc1)CCl	1842
+FC(F)(F)c1cc(C(Nc2cccc(c2)-c3n4c(cc(n4)-c5ccncc5)ncc3)=O)cc(NC(CCl)=O)c1	26
+FC(F)(F)c1cccc(N(C(CCl)=O)C)c1	192
+FC(F)(F)c1ccc(c(CN(C(=O)CCl)CC)c1)-c2cc(ccc2OC)CC(OCC)=O	58
+FC(F)(F)c1ccc(cc1)-c2cc(CO)c(cc2)NC(=O)CCl	26
+FC(F)(F)c1ccccc1-c2nc(c3cc(NC(=O)CCl)ccc3c2)O	26
+c1c(F)cc(cc1CC(NC(=O)CCl)c2ncccc2-c3cc(c(cc3)F)C(N)=O)F	68
+C(Cl)C(NC(CO)C)=O	68
+c1c(cc(c(Nc2c(c3n(ccn3)cc2C(=O)NNC(CCl)=O)Cl)c1)F)Br	1086
+c1c(cncc1C(=O)NNC(CCl)=O)Br	1086
+c1(C)c(cc(C#N)cc1)NC(CCl)=O	26
+C1(=O)Nc2c(F)c(ccc2OC1)CCCl	646
+C(C(Cc1c(c(NC(=O)CCl)c(cc1I)I)I)C(O)=O)C	26
+O1c2ccncc2NC(C1)=O	5429
+O1c2c(NC(C1)=O)ccnc2	5430
+C1CN(CC(C1NC(CCl)=O)O)c2c(c(N)cc(C#N)c2)Cl	68
+c1([N+]([O-])=O)ccc2N=C(OC(=O)c2c1)CCl	3310
+C1(=O)Nc2c(c(F)ccc2OC1)F	646
+c1([N+]([O-])=O)ccc(Br)c(NC(CCl)=O)c1	26
+N(C)c1ccc(Oc2ccnc(c2)NC(=O)CCl)cc1[N+]([O-])=O	195
+c1c2NC(=O)COc2c(c(F)c1)F	646
+C1(Nc2cccc(c2OC1)C(=O)C)=O	646
+C1(Nc2cccc(C(=O)OC)c2OC1)=O	646
+c1c(c(c(F)cc1)C)NC(CCl)=O	26
+O1c2c(NC(C1)=O)cccn2	5431
+O(C)c1cc2CCC(c3c(cc(cc3)OC)N(CC)C(CCl)=O)Cc2cc1	192
+c1c(OC)c(ccc1)N2C(=Nc3cccc(Cl)c3C2=O)CCl	1842
+c1cc(c(cc1CN2CCOC(C2)CNC(CCl)=O)Cl)Cl	68
+O=C(C(=NOC)c1csc(NC(CCl)=O)n1)OC	290
+c1cc(ccc1CCC(C(=O)OCC)(C(=O)OCC)NC(C)=O)Sc2ccc(cc2)C(=O)CCl	94
+O=Cc1c(c(C(CCl)=O)c(C)[nH]1)C	432
+O=S(=O)(c1cc(NC(=O)CCl)cc([N+](=O)[O-])c1)C	26
+O=S(=O)(c1c(cc(NC(=O)CCl)cc1)Cl)N	26
+O=S(=O)(c1ccc(c(Cl)c1)NC(=O)CCl)N	26
+O=S(=O)(c1cc(c(cc1)NC(CCl)=O)C)N	26
+c1cc(ccc1S(=O)(=O)C(F)F)-c2ccc(cc2)C(CCl)=O	94
+O=S(=O)(c1ccccc1)c2ccc3NC(=O)COc3c2	646
+OC(CO)CNC(CCl)=O	68
+c1c(c(ccc1C(CCl)=O)O)OC	94
+C1(=O)Nc2c(OC1)cccc2O	646
+C(Cl)C(c1c2cccnc2[nH]c1)=O	3311
+C1(Nc2c(c(c(c(Cl)c2)CC)Cl)OC1)=O	646
+O(C)c1cc2N=C(CCl)N(c3c(cccc3)Cl)C(=O)c2cc1OC	1842
+c1(OC)cc(cc(Br)c1)NC(CCl)=O	26
+C1CN(c2cc([N+]([O-])=O)ccc2S1)C(=O)CCl	192
+c1(c(sc(n1)NC(CCl)=O)C(=O)c2ccccn2)-c3occc3	290
+c1(c(C=2c3c(ccc(F)c3)-n4c(CN=2)nnc4CCl)cccc1)F	5432
+c1cc([N+]([O-])=O)cc2OCC(Nc12)=O	646
+c1cc(C)cc2OCC(Nc12)=O	646
+c12c(-c3c(c4c(cccc4)c(n3)O)C1)ccc(NC(=O)CCl)c2	26
+c1(C(CCl)=O)c2cc(Br)cnc2[nH]c1C	3311
+c12c(cccc1)CN(C2)C(=O)Nc3ccc(cc3)-c4noc(CCl)n4	2383
+c1c2c(C(NC(CCl)=O)C(O)C2)ccc1	68
+c12c(cccc1)nc(c3c2cccc3)CNC(=O)CCl	68
+c1(cccc(C)c1N(C(C)C(OC)=O)C(=O)CCl)C	5433
+c1c(F)cc(cc1C(NC(=O)CCl)CO)F	68
+c1c(cc(C(C)O)c(NC(CCl)=O)c1)Br	26
+ClCC(NC1c2c(CC1)cccc2)=O	68
+C(Cl)C(=O)N1CCCc2ccccc12	192
+C1N(c2ccc([N+]([O-])=O)cc2C1)C(=O)CCl	192
+c1cc(c(cc1Cn2c3cccc(NC(=O)CCl)c3cc2C(=O)OCC)Cl)Cl	26
+C1CN(C(=O)CCl)c2ccc(cc2S1)[N+]([O-])=O	192
+c1ccccc1C(CO)NC(=O)CCl	68
+c1cc(ccc1)C(C)(c2cc(Br)ccc2NC(CCl)=O)O	26
+c1cc(ccc1)C(c2c([nH]cc2NC(=O)CCl)C)=O	308
+c1ccccc1CN(C(CC)C(O)C)C(=O)CCl	58
+c1ccccc1NC(=O)CCl	26
+C(c1ccc(c(c1)-c2cc(C(CCl)=O)c(OC)cc2)OC)C	94
+c1ccccc1C(C)N2C(COC(c3ccc(cc3)Br)C2)=O	2384
+c1cc(ccc1C(C)C)C2=NC(=O)N(c3ccc(cc23)OCC#C)Cc4cc(NC(CCl)=O)ccc4	26
+c1cc(ccc1C)C(=O)NNC(CCl)=O	1086
+c1cc(ccc1OC(CCl)=O)C=C	385
+c1cc(ccc1Cl)-c2sc(c(C(=O)CCl)c2)C	1487
+C1CN(CCN1C(=O)CCl)c2ccc(cc2)F	58
+c1cc(ccc1C#N)NC(=O)CCl	26
+CC1(C)CC2(CC(C1)N(C(c3ccc(cc3)NC(=O)CCl)=O)C2)C	26
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3c4ccccc4C(NC(=O)CCl)CCC3	68
+c1cc(ccc1CN2C(C)COCC2=O)OC	2384
+c1cc(ccc1CC(N2CC(c3cccc(n3)Cl)OCC2=O)C)OCCO	2384
+c1cc(ccc1S(=O)(=O)n2ncc3c(-c4oc(CCl)nn4)cc(cc23)Br)C	5434
+c1cc(ccc1Sc2ccc(cc2)CCCC)C(=O)CCl	94
+c1c(cnc(c1)NC(CCl)=O)F	195
+c1ccc(cc1C#N)C(=O)NNC(=O)CCl	1086
+c1cc(ccc1)C(c2ccccc2)(CCN(C(CCl)=O)Cc3ccccc3)O	58
+c1cc(ccc1)C2c3ccccc3N(C2)C(=O)CCl	192
+c1ccccc1C=2c3c4c(c(OCC)cc3CC(C)(CNC(=O)CCl)N=2)OC(C)(C)C4	68
+c1ccccc1CCNC(=O)CCl	68
+c1ccccc1CN2CCC(CC2)NC(CCl)=O	68
+c1cc(ccc1)C(N(Cc2ccccc2)C(=O)CCl)C(C)O	58
+c1ccccc1COC(=O)C2OCCN(C2)C(CCl)=O	58
+c1ccccc1COc2cc(ccc2OCc3ccccc3)NC(=O)CCl	26
+c1ccccc1COc2cccc(c2)-c3ccc(Cl)cc3NC(CCl)=O	26
+c1cc(ccc1C(CCl)=O)Oc2ccc(cc2)CCCC	94
+O=S(=O)(c1ccccc1)c2ccc3c(NC(=O)CO3)c2	646
+c1ccccc1S(=O)(=O)n2c3cc(F)ccc3c(-c4cc(O)c(cc4)NC(CCl)=O)c2	26
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)-c4noc(CCl)n4	5435
+n1cc(-c2cc(NC(=O)CCl)ccc2)nc3ccccc13	26
+C(C1=C(N2C(=O)C(NC(Cc3c(cccc3)CN=[N+]=[N-])=O)C2SC1)C(O)=O)(Sc4nnn[nH]4)CC(=O)O	952
+C1CC23CCCCC2C(Cc4ccc(C(=O)C)cc34)N1C(Cc5occc5)=O	58
+CC1(C)CCOc2cc(C(CCCCC)=O)ccc12	586
+c1cc(ccc1)CC(CCCCC)=O	5436
+C(C(=O)C)c1cc(C)no1	591
+C1CN(CCN1CCCO)CC(NCCCCCCC)=O	1228
+C(C(=O)Cl)(C(OC)C)Br	141
+N1(C(C(=O)O)C)C=C(C(=CC1=O)c2c(ccc(Cl)c2)C#N)OCC	5437
+N#CC1=CN(C(C=C1Br)=O)C(C(=O)O)C	5438
+O1COc2c(cccc12)C(CO)CCCCC	21
+C1CC(CCC1)N2CC(CC2=O)C(=O)O	5439
+c1(N2C(CC(C(=O)O)C2)=O)ccc(c(C)c1)O	5440
+c1cc(ccc1N2C(=O)CC(C(O)=O)C2)C	1843
+c1cc(ccc1N2C(CC(C2)C(O)=O)=O)C3C(C3)C(=O)NCCCCCCCCCC	1843
+c1cc(ccc1N2CC(C(O)=O)CC2=O)F	1843
+c1ccccc1COc2ccc(cc2)N3CC(C(O)=O)CC3=O	1843
+C(C(CCC(Cl)=O)OC(C)=O)(=O)OCC=C	141
+C(O)CCC1CCOC1	647
+c1(cc2OCCc2cc1)C(NC(CCC3CCc4c(C3)nc5c(CCCN5)c4)=O)CC(OCC)=O	9
+[nH]1c2C(NC(CCC(OC)=O)Cc2c3cc(OC)ccc13)=O	5441
+FC(F)(F)c1c(c(F)ccc1)CN2C(C)=C(C(N(C2=O)CC(NCCCC(=O)O)c3ccccc3)=O)c4ccccc4Cl	110
+c1ccccc1CNC(c2sc(nc2C)NC(=O)CCCBr)=O	373
+c1(cc2c3c(C(N(C(=O)c3cc(c2)C(O)=O)CCCC(O)=O)=O)c1)[N+]([O-])=O	5442
+c12c3c(cc(c1)[N+]([O-])=O)C(N(C(c3ccc2)=O)CCCC(=O)O)=O	5443
+C(OCCOCC=CCBr)COCCOCCC(=O)OC	167
+c1(c2c(c(C)cc1)C(CCO2)=O)F	214
+c1(c(Cl)ccc2C(CCOc12)=O)Cl	214
+Clc1ccc2ccc(COc3cc4c(OCc5c(C4SCCC(=O)O)cccc5)cc3)nc2c1	3312
+c12c(nc(C=Cc3cc4c(OCc5c(C4SCCC(=O)O)cccc5)cc3)cc1)cc(Cl)c(F)c2	3312
+CN(C)CCNC(CCl)=O	9
+FC(F)(F)c1csc(-c2c(-c3cncc(C(=O)NNC(CCl)=O)c3)cnc(NC(=O)NCC)c2)n1	5444
+O(CC(=O)O)CCc1cccc(F)c1	1844
+c1c(Cl)c(c(cc1)Cl)CCOCC(=O)O	1844
+c1(n(c2cccc(F)c2n1)C)CCl	953
+c12ccccc1c(ccc2)CCOCC(=O)O	1844
+c12c(cccc1)ccc(c2)OCC(O)=O	1845
+c1cc(ccc1S(=O)(=O)C)C	5445
+c1cc(ccc1Cn2c3c(nc2CCl)cccc3)Cl	953
+c1ccccc1CCOCC(=O)O	1844
+OC(CN(CC(O)=O)CCNCC(OCC)=O)=O	1459
+C1CN(CCC1)c2nc(C=C3SC(=S)N(CC(=O)O)C3=O)cs2	3313
+s1c(nc(C=C2C(N(CC(O)=O)C(=S)S2)=O)c1)Nc3c(C)cccc3	3313
+C(N1C(C(=C(O)C=C1C)[N+](=O)[O-])=O)C(=O)OC	27
+C1C(C(OC)=O)N(C(=O)CN2CCCC2=O)CC1	478
+C(OC(CNC(CN1CCCC1=O)=O)=O)C	3314
+O=C(N(OC)C)Cc1c(F)cccc1Cl	164
+C(C(=O)N(OC)C)c1cc(C)no1	164
+c1cc(ccc1-c2cc(ccc2C)C(=O)NC3CC3)-c4nnc(CNC(Cc5cc(no5)C)=O)o4	9
+CCOC(Cc1ccco1)=O	939
+CCOC(Cc1ccsc1)=O	27
+C(C(=O)OC)c1n[nH]c2c1cccn2	27
+c1(c(c(ccc1)NC(Cc2c(Cl)cccn2)=O)C)Br	33
+CC(C)(C)NC(Cn1c(c(C)nc1)CN=[N+]=[N-])=O	9
+C1C(CN1C(=O)CCl)OC	5446
+c1nc(c2n1-c3cccc(Cl)c3C(N4C2CCC4)=O)-c5noc(CCl)n5	3315
+c1nc(c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C)-c4noc(CCl)n4	3315
+c1c(C)c(c(cc1)C)NC(C(OC)=O)C	3316
+Clc1cc(OC(C)C(OC)=O)c(cc1)C=O	289
+FC(F)(F)C1=CC(=O)N(c2cc(Oc3ccc(cc3)OC(C(=O)OC)C)c(cc2F)Cl)C(=O)N1C	289
+FC(F)N1C(=NN(C1=O)c2c(Cl)cc(c(OC(C)C(=O)OC)c2)C)C	289
+c1(C=O)cccc(OC(C)C(OC)=O)c1	289
+c1cc(ccc1C=O)OC(C)C(=O)OC	289
+c1ccccc1COc2ccc3c(ccn3C(C(OC)=O)C)c2	3317
+C(C(=O)OC)(C)c1ccc2Sc3ccc(N)cc3CC(=O)c2c1	0
+C1(Cc2cc(N)ccc2Sc3ccc(cc13)C(C)C(O)=O)=O	4
+c1ccccc1CC(C(NC(CCCc2cnc[nH]2)C(OC)=O)=O)NC(CCc3ccccc3)=O	188
+C1COC(O1)(c2ccc(CC(=O)NC(CO)C(OC)=O)s2)C	188
+C1COC(O1)(c2cc(ccc2)CC(NC(CO)C(OC)=O)=O)C	188
+O=S(=O)(NC(CO)C(=O)OC)c1ccc(cc1)Cl	592
+c1ccccc1COC(NC(C(OC)=O)CO)=O	544
+c1cc(ccc1S(=O)(=O)NC(CO)C(=O)OC)OC	592
+c1c2C(CC(=O)OC)c3ccccc3C(N(C)c2cc(OCCCCNc4[n+](cccc4)[O-])c1)=O	20
+C1CCC(C1)c2c(OCCCC(=O)OC)ccc(-c3c4c(c(Br)c5ccccc35)sc(C)c4C)c2	8
+CC(C)(C)OC(=O)N1CCN(c2c(c(C)cc3cccnc23)OCCCC(=O)OC)CCC1	8
+c1cc(ccc1-c2c(oc3ncnc(OC4CCCN(C4)CCCC(OC)=O)c23)-c5ccccc5F)OC	28
+n1ccccc1NCCCCC(OC)=O	2376
+c1cc(ccc1F)-c2cc(no2)C(NCCCC(=O)OC)=O	81
+c1ccccc1CN2C(=O)CCC(C2c3c(ccc(F)c3)F)[N+]([O-])=O	5447
+c12N(C(N(C(=O)c1cccc2)CC(OC)=O)=O)CC(=O)Nc3cc(Cl)c(OC)cc3OC	3318
+N(CCNC(c1nc(c(nc1N)N)Cl)=O)CC(NCCN)=O	248
+C1CCCC(n2nc(c3cccnc23)CC(OC)=O)O1	1846
+c1cc(ccc1[N+]([O-])=O)Cn2c3c(c(n2)CC(=O)OC)cccn3	1485
+O(C)c1c(ccc(c1)C=2CC(=O)NN=2)OC	5448
+FC(F)(F)S(=O)(=O)Oc1cc2ccccc2c(CC(OCC)=O)c1	166
+C(C(=O)c1c(-c2cc3ccc(cc3cc2)O)oc4ccccc14)CCC	5
+C(C(=O)c1c(-c2ccc3c(c2)ccc(OCC(=O)O)c3Br)oc4ccccc14)CCC	3
+C(C(=O)c1c(-c2ccc3c(c2)ccc(OCC(=O)OCC)c3Br)oc4ccccc14)CCC	52
+c1cc(ccc1)CC(C(=O)OCC)Oc2c(Br)c3ccc(-c4c(c5c(cccc5)o4)C(=O)CCCC)cc3cc2	3319
+C(C(=O)c1c(ccc(Cl)c1)O)CC(OCC)=O	27
+c1cc(ccc1F)CN2CC(C)N(CC2C)C(COc3ccc(cc3C(CCC(OCC)=O)=O)Cl)=O	648
+C(C(=O)c1cc(NC(C)=O)ccc1O)CC(=O)O	125
+C(C(=O)c1c(ccc(OC)c1)O)CC(OC)=O	27
+C(C(c1c(ccc(OC)c1)OCC2CO2)=O)CC(OC)=O	8
+C(C(=O)c1c(ccc(N)c1)O)CC(=O)O	0
+C(C(=O)c1c(sc2c1cccc2)-c3ccc4c(c3)ccc(OCC(=O)O)c4Br)CCC	3
+C(C(=O)c1cc(NC(C)=O)ccc1O)CC(OC)=O	167
+C(C(c1cc(NC(C)=O)ccc1OCC2CO2)=O)CC(OC)=O	8
+c1ccccc1NC(c2cccc(F)c2)C(OC)=O	5449
+c1(C(=O)OC)c(COC)nc(N)s1	5450
+c1ccccc1-c2nc(c(C)o2)CC(=O)OC	3320
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CC(OC)=O	5451
+C(C)(CCCC(C)CCC)(C=C)O	5452
+c12c(-c3c(cccc3)C1)ccc(CCC(=O)C)c2	1847
+OC(=O)C(C)Cc1c(cccc1)-c2ccccn2	3
+CC(C)(C)[Si](C)(C)OCC(CCCC(C1CCC2C3CC=C4C(C3CCC12C)(CCC(O)C4)C)C)C	19
+Cc1cc2c(OCC(=O)N2CC(C)CI)cc1	343
+O=S(=O)(OCC(C)Cn1c2ccc(cc2cn1)C)C	7
+c1c(cc(CC(C)N)c(C)c1)F	157
+c1c(cc(c(F)c1)CC(C)N)F	157
+CC(C(O)=O)c1ccccc1F	4
+O=Cc1c(O)c(cc(C(C(=O)O)CC(=O)O)c1)-c2cc([N+]([O-])=O)ccc2	4
+CC(C)(C)OC(NC(CC(=O)OCC)Cc1c(F)ccc(F)c1)=O	37
+c1[nH]c2CCCC(c2c1CCC(=O)O)=O	5453
+CC(C)(C)OC(N(C(C#N)CCCC(O)C)C)=O	23
+C(CCCCCCCCCOCC1OC1)OCC(CCCC)CC	649
+C1CN(CCO1)c2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2	79
+C1COCCC1Nc2c(c(C(=O)NCC(CN3Cc4c(CC3)cccc4)O)ccc2)C	231
+C(C(CNC(=O)c1cccc(c1C)N)O)N2CCc3ccccc3C2	0
+C1OC(CCC1)OCC(C)C=O	24
+C(C(Cc1c(c(NC(=O)CNCCNCCN)c(cc1I)I)I)C(O)=O)C	402
+[nH]1c(N)cc(Cc2cc(C)ccc2)n1	3321
+C(C)OC(c1cnn(CC(Cl)=O)c1)=O	141
+c1(ccccc1C(Cl)=O)SCC	138
+O=C(C(c1c[nH]c2cc(CC)ccc12)=O)OC	715
+O=C(c1sc(C(NCc2ccc(c(Cl)c2)Cl)=O)cc1)Cl	1488
+C(Oc1cccc(C(Cl)=O)c1)CCF	138
+C(c1ccc(cc1Cl)F)CC(Cl)=O	141
+C1C(CC1CC#N)C(=O)Cl	141
+C1C(CC1C(Cl)=O)N=[N+]=[N-]	141
+C1CC(CCC1)C(C2CCCCC2)CC(Cl)=O	141
+C1COCCC1C(NC(Nc2ncc(cc2)Oc3ccnc(NC(=O)C)c3)=O)=O	1489
+C1CC1C=2Nc3ccccc3C4=NN(C(C=24)=O)c5ccc(cc5)C(Cl)=O	138
+C1CC1NC(=O)NC(c2c(F)c(C)c(I)c(F)c2)=O	5454
+C1CC1c2c(COc3c(cc(cc3)-c4c(C)c(n(C)n4)C(Cl)=O)C)c(N5C(=O)N(N=N5)C)ccc2	954
+C1CC1c2c(C)cc(C)c(CC(=O)Cl)c2	141
+C1CC2(CCC1)N(CC(=O)Cl)C(=O)C(c3ccc(cc3)OC)=N2	141
+C1CC(CCC1)CC(C(=O)Cl)C	141
+C1CCCCC1CCCCC(=O)Cl	141
+C1CCCCC1c2nc(c(C)o2)C(=O)Cl	3322
+C1CCCCN1CCC(Cl)=O	141
+C1CC(CCN1C(OC)=O)CCC(=O)Cl	141
+C1COCCC1CC(=O)Cl	141
+c1ccccc1CC(C)(C)C(Cl)=O	141
+CC(C)(C(=O)Cl)CCCCOCCCCCl	141
+c1cc(ccc1CCCC(=O)Cl)OC(C)(C)C(OCC)=O	141
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2cc3ccc(C(Cl)=O)cc3cc2)cc1)C	138
+CC(C)(C)OC(Nc1nccc(Oc2ccc(nc2)NC(NC(C(C)(C)C)=O)=O)c1)=O	1489
+CC(C)(C)C(NC(Nc1ncc(Oc2ccnc(NC(N3CC(N(C)C)CC3)=O)c2)cc1)=O)=O	1489
+CC(C)(C)C(NC(Nc1ncc(Oc2ccnc(NC(=O)N3CCN(CC3)Cc4ccccc4)c2)cc1)=O)=O	1489
+CC(C)(C)C(=O)Oc1cc2c(CC(CC2)c3ccc(cc3NCCCc4ccc(cc4)CC(Cl)=O)OC)cc1	141
+CC(C)(C)C1CCC(CC1)C(Cl)=O	141
+CC(C)(C)OC(CCSCc1cc(C(=O)Cl)ccc1)=O	138
+CC(C)(C)Oc1c(c(Cl)ccc1)C(Cl)=O	138
+CC(C)(C)[Si](C)(C)OCC1CCn2c(c(c3ccccc23)C(C(=O)OC)=O)C1	715
+CC(C)(C)c1ccc(C2CC2C(Cl)=O)o1	141
+CC(C)(C)c1sc(cc1)C2CC2C(=O)Cl	141
+CC(C)(CCCCCC)C(Cl)=O	141
+CC(C)(c1cccc(C(=O)Cl)c1)C#N	138
+CC(C)=CCCC1=CCC(CC(Cl)=O)CC1	141
+CC(C)n1c2c(ccc(c2)COC)c(c1)C=3C(NC(=O)C=3c4c5c(cccc5)n(c4)C)=O	5455
+CC(C)Oc1c(cc(C(Cl)=O)cc1)C#N	138
+CC(C)Oc1ccc(C(=O)Cl)cc1Cl	138
+c1ccccc1COc2c(C(C)C)cc(cc2)C(=O)Cl	138
+CC(C)c1cccc(C(C)C)c1C(Cl)=O	138
+CC1(C)C(OC(=O)C)CCC2(C1CCC3(C2CCC4C5C(CCC34C)(C(Cl)=O)CCC5C(=C)C)C)C	141
+C1C(CC1(C)C)C(NC(Nc2ccc(cn2)Oc3ncnc(-c4cnn(C)c4)c3)=O)=O	1489
+CC1(C)CC(CC(C)(C)O1)C(Cl)=O	141
+CCC(C)C(C(=O)Cl)F	141
+CCCCCCCCCCCC=CC(=O)Cl	3323
+CCCCCCCCCCCCC(=O)Cl	141
+O=C(C(=O)c1cn(c2c1cc(F)c(Br)c2)C)OCC	715
+O=C(C(=O)c1c2c(Cl)cccc2[nH]c1)OCC	715
+c1cc(ccc1)Cn2c3c(c(C(=O)C(OCC)=O)c2)ccc(c3)-c4cccc(Cl)c4	715
+C1(C(C(=O)Cl)=Cc2c(cccc2)N1C)=O	5456
+FC(F)(F)Oc1ccc(cc1)-c2ccc3c(C(=O)C(=O)OC)cn(c3c2)C	715
+O=S(=O)(c1cc(ccc1Cl)-c2[nH]c3c(cccc3c2C(=O)C(OC)=O)Cl)NC4CCCCC4	715
+O=S(=O)(c1cc(ccc1Cl)-c2c(c3c(cccc3)[nH]2)C(C(=O)OC)=O)Cc4cc(Cl)ccc4	715
+O=C(C(=O)c1c2cccc3c2n(CC3)c1)OC	715
+c1ccccc1COc2cc3c(cc2)c(c[nH]3)C(C(=O)OC)=O	715
+O=S(=O)(Nc1c(Cl)ccc(-c2[nH]c3c(cccc3)c2C(=O)C(=O)OC)c1)c4ccccc4	715
+COc1cc(cc(OC)c1)-c2cccc(C(Cl)=O)c2	138
+c1(C(Cl)=O)ccc(OC)cc1[N+]([O-])=O	138
+COc1cccc2n(CCF)c3c(C(C(Cl)=O)CCC3)c12	141
+c1c(C)c(c(cc1OCC2CN(C)c3ccccc3O2)C)C(=O)Cl	138
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(n(C)n4)C(Cl)=O	954
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(no3)-c4cc(c(cc4)C(Cl)=O)F	138
+C(Cl)(c1c(cc(Cl)c(c1)OCC=C)F)=O	138
+Clc1cc(c(cc1)C(=O)N=C=O)F	1490
+Clc1ccc(c(Cl)c1)CCCC(Cl)=O	141
+C(c1c(C)nc(Cl)nc1)(=O)Cl	3324
+FC(F)(C)c1nn2c(nc(c2)C(Cl)=O)s1	3325
+FC(F)(F)C(=O)NCc1c(cc(c(c1)C(N=C=O)=O)Cl)F	1490
+FC(F)(F)C(=O)NCc1ccc(Cl)c(C(=O)N=C=O)c1	1490
+FC(F)(F)C1(ON=C(c2c3c(c(s2)C(Cl)=O)CCCC3)C1)c4cc(Cl)cc(Cl)c4	1488
+FC(F)(F)C1=C(C(N(C(c2cc(-c3ccc4cc([nH]c4c3)C(=O)Cl)ccc2)=C1)Cc5c(cc(cc5)C)C)=O)C#N	954
+FC(F)(F)C=1N(C)C(=O)N(c2cc(c(Cl)cc2F)C(=O)Cl)C(=O)C=1	138
+FC(F)(F)CCOc1ccc(cc1)-n2c(nc(C(=O)Cl)c2C)-c3ccc(cc3Cl)Cl	3325
+FC(F)(F)c1nn(-c2c(Cl)cccc2)c(c1)C(=O)Cl	954
+FC(F)(F)c1cccc(c1)CC(Cl)=O	141
+FC(F)(F)c1cc(c(nc1)Cl)C(=O)Cl	2371
+FC(F)Oc1n(nc(c1Cl)-c2cc(c(cc2Cl)Cl)C(=O)Cl)C	138
+FC(F)c1nc(c(cc1C(=O)OCC)Cl)Cl	3326
+FC(F)c1c(cc(C#N)c(n1)Cl)C(OCC)=O	3326
+Fc1cc(c(C)cc1F)C(Cl)=O	138
+c1(F)cc(cc(F)c1)CC(=O)Cl	141
+Fc1cc(cc(F)c1C(=O)Cl)F	138
+C(Cl)(c1cccc(I)c1C)=O	138
+n1c(SC)nc2c(c(c(CC)n2Cc3cc(Cl)ccc3)C(=O)C(N)=O)c1OCC(OC)=O	5457
+c1ccc2C(=O)C(N3CCC(C(OC)=O)c1c23)=O	3327
+O=S(=O)(NC1CCCCC1)c2cc(ccc2Cl)-c3c(C(=O)C(=O)NC)c4c([nH]3)cccc4	5458
+O=S(=O)(C=C)c1ccc2c(sc(NC(=O)NC(=O)c3ccccc3Cl)n2)c1	5459
+C(=NC(=O)c1c(F)c(c(c(c1)F)F)OCF)=O	1490
+COP(OC)(C(C(Cl)=O)OC)=O	141
+CCN1c2c(c(OC)ccc2C3CCc4c(ccc(OC)c4)C3)C(C1=O)=O	3327
+O(CC)C(OCC)c1nc(C)c(C(Cl)=O)cn1	3324
+O(CC=C)P(OCC=C)(=O)OCc1c(cccc1Cl)C(Cl)=O	138
+c1ccc2n(cc(C(Cl)=O)c2c1F)Cc3c(F)cc(-c4cnn(C)c4)cc3	2371
+c1(c(c(ccc1F)C(Cl)=O)Cl)Cl	138
+O=S(=O)(CCC)Nc1ccc(Cl)c(C(Cl)=O)c1F	138
+O=S(=O)(N)c1c(cc(NCc2occc2)c(C(OCCCOC(CCC(=O)Cl)=O)=O)c1)Cl	141
+O=S(=O)(Nc1cc(C(Cl)=O)ccc1)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3	138
+O=S(=O)(c1cc2CCCN(C)c2cc1)Cl	1491
+c1cc(ccc1S(=O)(=O)Cl)O	1491
+O=S(=O)(Cl)c1cc(c(C)s1)C(=O)Cl	3328
+O=S(=O)(c1cc(F)c(C(Cl)=O)cc1)C	138
+c1cc(ccc1N(CC(OCC)=O)C)S(=O)(=O)Cl	1491
+O=S1(=O)N(C(C(Cl)=C1c2ccccc2)=O)C(C)C	3329
+C1(C(C(=O)Cl)CCCC1)C(=O)OC	141
+c1c(C)cc(cc1CC(Cl)=O)C	141
+c1(C)cc(cc(C)c1Oc2ccc(c(S(=O)(=O)Cl)c2)OCc3ccccc3)[N+]([O-])=O	1491
+C(Cl)(c1c(Cl)sc(c1)Cl)=O	3328
+C(Cl)(c1c(c(Cl)c(F)cc1)C)=O	138
+c1(cc([N+]([O-])=O)ccc1CC(Cl)=O)[N+]([O-])=O	141
+c1(c(cccc1)-n2c(OC)cc(C(=O)Cl)n2)F	954
+C(Cl)(c1c(c(C)ccc1)Cl)=O	138
+C(c1c2c(cc(Oc3ncnc(Cl)c3)cc2)ccc1)(Cl)=O	138
+O=C=NC(c1cc(F)c(I)cc1)=O	1490
+c1c(F)c(c(cc1OC)F)C(=O)Cl	138
+c1c(OC)c(c(cc1C(=O)Cl)OC)Br	138
+c1ccc(-c2ccc(OC)cc2OC)cc1C(=O)Cl	138
+c1c(C(Cl)=O)ccc(Cl)c1Br	138
+c1(ccc(OC)c(c1)OC)C(C(=O)Cl)C	141
+c1ccc(Oc2cc(C)c(OCC(=O)OCC)cc2)cc1C(=O)Cl	138
+Cc1cc(cc(C)c1F)C(Cl)=O	138
+c1c(F)c(c(cc1)F)N2C=C(C=CC2=O)C(Cl)=O	5460
+O(C)c1cc(cc(OC)c1OC)-c2ccccc2C(Cl)=O	138
+c1c(c(C(Cl)=O)cc(-c2nnn[nH]2)c1)OC	138
+c1c(cc(C)c(C(Cl)=O)c1)Br	138
+c1(C(Cl)=O)nc(Cc2cc(ccc2)C(=O)C)oc1	3322
+c1c(cccc1OCC(Cl)=O)OC	141
+c1cc2c(-c3c(cccc3)C2(C(=O)Cl)CCCCBr)cc1	141
+c1cc(Br)c(c(C(Cl)=O)c1OC)Cl	138
+c1cc(Br)c(C(Cl)=O)cc1I	138
+c1cc(C(Cl)=O)cc([N+]([O-])=O)c1OC	138
+c1cc(Cl)c(C(Cl)=O)cc1I	138
+c1cc(OC)cc(OC)c1C(CCCCC)CC(Cl)=O	141
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(Cl)=O)s3	1488
+c1cc(cc(OC(C)=O)c1OC)C(Cl)=O	138
+c1cc(cc(c1OC)OCC)C(Cl)=O	138
+c1cc(ccc1)-c2c(C)c(C(Cl)=O)c3ccccc3n2	138
+c1cc(ccc1)-c2c(cccc2)Cn3c4c(c(OCC(OC)=O)nc(SC)n4)c(C(=O)C(N)=O)c3CC	5461
+c1ccccc1-c2cccc(C(Cl)=O)c2F	138
+c1cc(ccc1)-c2c(CCCC(=O)Cl)c(Cl)ccc2	141
+c1cc(ccc1)-c2ccc(c(F)c2)C(=O)Cl	138
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCCC(=O)Cl	141
+c1ccccc1C=2S(=O)(=O)N(CCCC)C(C=2Cl)=O	3329
+c1cc(ccc1)C2=C(C(=O)N(c3c(cccc3)Cl)C2=O)Cl	5462
+CC(C)(S(=O)(=O)CC(Cc1ccccc1)C(OCc2ccccc2)=O)C(Cl)=O	141
+c1cc(ccc1)COC(=O)N2CC(CCC2)C(Cl)=O	141
+c1cc(ccc1)COC(=O)OC2Cc3c(CC2)ncc(c3Cl)C(OCC)=O	5463
+c1cc(ccc1)COC(CCC(C)(C)C(=O)Cl)=O	141
+c1cc(ccc1)COCC(Oc2ccc(F)c(c2F)C(=O)N)C(=O)Cl	141
+O=S(=O)(c1ccccc1)Nc2c(scc2)C(=O)Cl	1488
+c1cc(ccc1-c2c(C)c(nn2-c3c(Cl)cc(cc3)Cl)C(=O)Cl)OCCCF	954
+c1cc(ccc1C(=O)Cl)-c2c(C)ccc(-c3nnc(C)o3)c2	138
+c1cc(ccc1C(=O)CNC(OCc2ccccc2)=O)C(Cl)=O	138
+c1cc(ccc1C(=O)Cl)OCCCCCCCCCCCCCC	138
+c1cc(ccc1OCCCN(C)C)C(Cl)=O	138
+c1cc(ccc1C(CC=CC=CC(Cl)=O)OC)OC	3323
+c1cc(ccc1C(=O)Cl)-c2nc(-c3ccc4c(c3)OCO4)c(-c5ccccn5)[nH]2	138
+c1cc(ccc1C=2C(N(C3(CCCCC3)N=2)CC(=O)Cl)=O)C	141
+c1cc(ccc1C=CC(Cl)=O)OC	5464
+c1cc(ccc1C=CCCCCCCCC(=O)Cl)F	141
+c1cc(ccc1C(Cl)=O)C=O	138
+c1cc(ccc1OCCCCCCCCCCCCCC)CC(=O)Cl	141
+c1cc(ccc1COC(CC(=O)Cl)CCCCCCCCCCC)OC	141
+c1ccccc1COc2ccc(cc2)CS(=O)(=O)Cl	5465
+c1cc(ccc1Cl)Sc2ccc(cc2)CCC(=O)Cl	141
+c1cc(ccc1Cn2nc(-c3cccc(c3)C(Cl)=O)nn2)OC	138
+c1cc(ccc1F)-c2nn(c3ccc(cc23)C(Cl)=O)C(=O)C	138
+c1cc(ccc1C(c2ccc(cc2)F)=C(C#N)C(=O)Cl)F	5466
+c1cc(ccc1C2(CCCCC2)CCC(=O)Cl)F	141
+c1cc(ccc1F)C2CC(=O)NC=C2C(Cl)=O	5467
+c1cc(ccc1OC)Cn2ncc(C(Cl)=O)c2	5468
+c1cc(ccc1C#N)OCC(=O)Cl	141
+c1ccccc1COc2ccc(cc2)S(=O)(=O)Cl	1491
+c1cc(ccc1C(Cl)=O)OCc2ccccn2	138
+c1cc(ccc1OCc2nc3c(cccc3C)n2CCC(C)C(Cl)=O)Cl	141
+c1cc(ccc1C(Cl)=O)Oc2c([N+](=O)[O-])cc(cc2)Cl	138
+c1cc(ccc1C(Cl)=O)S(=O)(=O)Cl	138
+O=S(=O)(c1ccc(cc1)C)NC(C(Cl)=O)C	141
+c1cc(ccc1[N+]([O-])=O)C(C)C(Cl)=O	141
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(C)c(n(C)n3)C(Cl)=O)c1N4N=NN(C4=O)C	954
+c1ccc2C(=O)N(C(c2c1)=O)CCOCCOCCOCCC(=O)Cl	141
+c1cc(ccc1)-c2c(C(C(Cl)=O)=O)n3CCCCc3c2	5469
+c1cc(ccc1)-c2sc(CCCOC)c(n2)C(=O)Cl	5470
+c1ccccc1COc2cc(C(=O)Cl)c(cc2)C	138
+c1ccccc1Oc2nccc(n2)C(=O)Cl	954
+s1c(C2C(C(Cl)=O)C2)ccc1CCCC	141
+O=C(c1cc2CCCCc2s1)Cl	1488
+CN(C)C(=O)Cc1c(ccc(c1)OC)Br	58
+C(C)N(CC)C(Cc1c(cc(cc1)[N+](=O)[O-])Cl)=O	58
+C1CN(CCC1C)C(Cc2ccc(cc2Cl)[N+](=O)[O-])=O	58
+c1c(cc(c(C(O)=O)c1F)NC(=O)Cc2ccc3OCOc3c2)F	26
+C1COCCN1Cc2c(ncc(C=CC(N(Cc3c4ccccc4n(c3)C)C)=O)c2)N	2385
+c1c2COC(Nc2ncc1C=CC(N(Cc3n(c4c(cccc4)c3)C)C)=O)=O	2385
+C(=O)(C(N)C(C(OC)=O)C)O	4
+n1c(OC)ccc(C(CO)Nc2ncnc3CCN(Cc23)c4ccc(cn4)C)c1	40
+c1cc(ccc1C)-c2cc(C(NC(c3cnc(cc3)OC)CO)=O)cc(C(=O)N(CC(C)C)C)c2	14
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(cc4c(C(=O)C)c3)C(=O)N5CC6CCC5C6	30
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(C(=O)O)cc4c(C(=O)C)c3	1
+C(OC)CCC(N1CCCc2c(Br)cccc12)=O	21
+FC(F)(F)c1ccc2[nH]c(C(O)=O)cc2c1	5471
+c1(F)c(ccc(C=CC(C(O)=O)=O)c1)Br	3330
+c1cc(ccc1C=CC(=O)C(O)=O)-c2cc(OCC)ccc2	3330
+CC(C)(C)[Si](C)(C)OC(CCC1NC(CC1)=O)Cc2cc(F)ccc2	19
+CC(C)(C)OC(=O)NCCC(O)c1cccc(O)c1	37
+NC1=CC(=O)N(C(=O)N1C)CCCCC(OC(C)=O)C	5472
+c1ccccc1Cn2c(C)nc3N(C(N(C(c23)=O)CCCCC(C)OC(=O)C)=O)C	2386
+C1CN(CCN1C)c2ccc(c(c2)C3=C(c4c[nH]c5c4cccc5)C(NC3=O)=O)N	1492
+CN(C)Cc1ccc2c(c(C=3C(NC(=O)C=3c4c[nH]c5c4cccc5)=O)co2)c1	3331
+CN(C)Cc1cnc2c(c(C=3C(NC(C=3c4c[nH]c5ccccc45)=O)=O)c(Cl)cc2)c1	1492
+O=C(C(C(C)=O)CCCCC)O	4
+CC(C)(C)[Si](C)(C)OCCOc1ccc(cc1)C2(CC(O)=CC(=O)O2)CCc3ccccc3	5473
+Clc1cc(c(C2C(C(=O)OC)=C(NC(=O)C2)C)cc1)F	3332
+FC(F)(F)c1nc2c(cc1)cc(c(C)n2)C(=O)OC	5474
+c1cc(ccc1F)C2C(=C(C)NC(=O)C2)C(OC)=O	3332
+c1ccccc1COc2c(c(Cl)cc(c2)Cl)C=CC(CC(=O)CC(=O)OC)O	5475
+C=1(N=C2C=CC=C(C)N2C(C=1)=O)C(CC)Br	5476
+OC(CO)CC(=O)OC	95
+c1cc(Cl)c(c(Cl)c1OC(C)C(OCC)=O)C	289
+FC(F)(F)C1=CN=C(c2cc(c(cc2Cl)Cl)NC(C)C(OCC)=O)C(=O)N1C	3316
+FC(F)(F)c1ccc(Oc2ccc(cc2)OC(C(OCC)=O)C)nc1	289
+O(CC)C(C(N1c2cc([N+]([O-])=O)ccc2SCC1=O)C)=O	3333
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3c1ccc(c3)OC(C)C(=O)OCC)C	289
+O(CC)C(C(C)Oc1c(c(c(Cl)cc1C(=O)C)F)I)=O	289
+O(CC)C(C(C)Oc1cc2cccnc2cc1)=O	289
+O(CC)C(C(N1C(COc2cc(C)ccc12)=O)C)=O	3333
+O=C(OCC)C(Oc1cc(ccc1)Oc2ccccc2[N+]([O-])=O)C	289
+c1cc(ccc1CCOC(C)C(OCC)=O)-c2ccc(cc2)Cl	5477
+c1cc(ccc1OC(C(=O)OCC)C)N(c2nc(Cl)c3cc(ccc3c2)Cl)C	289
+c1(F)cc(cc(F)c1)Oc2ccc(cc2)OC(C(OCC)=O)C	289
+c1cc(ccc1OC(C(OCC)=O)C)Oc2ncc3c(ccc(c3)Cl)c2	289
+c1(c(CCC)c(O)nc(n1)C)C(=O)OCC	5478
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CON=C(c4cnccc4)C(OCC)=O	5479
+C(OC(CC1CCCC(C)C1)=O)C	774
+O(CCC1n2c(cc(I)c2)C(NC1)=O)CC	21
+C(OC(NCCS(=O)CC(=O)O)=O)C	3
+C12C(C1)C(c3n(nc(c23)C#N)CC(OCC)=O)=O	955
+C(C(OCC)=O)n1nc(C#N)c2c1C(C3C2C3)O	1262
+CN(C)C=C(n1nnc(C#N)c1)C(=O)OCC	5480
+c1cc(ccc1OC(C)C)-c2nc(c(o2)C)COc3cc(C)c(cc3)CC(C(OC)=O)OCC	547
+c1(c(cc(OC(C)c2sc(nn2)N)cc1)Cl)Cl	1087
+CC(C)(C)OC(n1ccc(n1)NC(=O)c2cc(cc(Oc3ccc4c(OCN(C)C4=O)c3)c2)OC(C)COC)=O	650
+[N+]([O-])(=O)c1ccccc1Oc2cc(OC(C(N)=O)C)ccc2	83
+c1cc(cc(CCCC(=O)O)c1OC)C	165
+C(C(c1c(ccc(C)c1)OC)=O)CC(=O)O	3
+CC(C)(C)NCC(O)COc1c(C(CCC(=O)OC)=O)cc(cc1)OC	122
+c1c(c(C(C(Cl)C(=O)OCC)=O)ccc1)F	3334
+c1cc(ccc1Nc2c3cc(-c4ccco4)ccc3nc(n2)-n5cc(c6c5ccc(Br)c6)C(=O)CCC(OC)=O)OC	5481
+C(C(c1cc(C)c(F)cc1)=O)CC(OC)=O	27
+c1(C)cc(C(CCC(OC)=O)O)ccc1F	74
+C(C(c1cc(C)c(cc1)OC)=O)CC(OCC)=O	456
+c1ccccc1Cc2sc(NC(=O)CCC(c3cc(c(OC)cc3)CC)=O)cc2-c4ccccc4	1477
+C1CC1(C(=O)NC(CO)c2cc(Cl)ccc2)Nc3nc(ncc3Cl)Cl	9
+c1(ccc(Cl)cc1-c2ccc(C)n2-c3cc(c(C)cc3)C(=O)O)OCc4cccc(F)c4F	2387
+CCOC(=O)C(C(=O)c1cc(F)c(cc1F)C=2CCN(C(C)=O)CC=2)=COCC	3335
+CC(C)(C)NCC(O)COc1c(cc(NC(C)=O)cc1)C(CCC(=O)OC)=O	122
+O=S(=O)(C)c1ccc(C(CCC(C)=O)=O)cc1F	593
+Oc1c(ccc(C(CCC(=O)O)=O)c1)O	5
+CC(C)(C)[Si](C)(C)OC(CC=C)CC(c1cc(Br)ccc1)=O	19
+c1cc2c(cc1CCCC(=O)O)CCO2	165
+C(C(c1ccc(C)cc1O)=O)CC(OC)=O	167
+C(C(c1ccc(C)cc1OCC2CO2)=O)CC(OC)=O	8
+CC(C)(C)NCC(COc1cc(C)ccc1C(=O)CCC(=O)OC)O	122
+C(C(c1ccc(c(c1)O)F)=O)CC(=O)O	956
+c1c(c(Cl)cc(C2=NNC(CC2)=O)c1)OC	2388
+C(C(c1ccc(c(Cl)c1)OC)=O)CC(=O)O	594
+C(C(c1ccc(F)c(N)c1)=O)CC(=O)O	0
+C(C(c1ccc(c(N)c1)OC)=O)CC(=O)O	0
+O(CC)C(C(C#N)C(C(c1cccnc1F)=O)C)=O	5482
+OC(CCCCl)c1cccs1	2389
+c1cc(ccc1S(=O)(=O)N)-n2cc(C)cc2-c3cc(C)cc(C)c3	5483
+c1(c(cc(C(C)=C)c(C)n1)CN=[N+]=[N-])C	3336
+[N-]=[N+]=NCC(O)C(CC(=O)C)OC(C)=O	152
+O=S(=O)(c1ccc(cc1)C)OCC(O)C(CC(C)=O)O	36
+c1cc(ccc1C)S(=O)(=O)n2ccc3c2ncc(n3)NNC(C4C(CC)CC(C4)NC(=O)C)=O	355
+Nc1ccc(N2CC(NC(C)=O)CC2)cc1-n3ccnc3	0
+O1C(N2C(Cc3cc(ccc23)Br)C1CNC(C)=O)=O	38
+C1COCCN1CCC(=O)c2c(cccc2)[N+]([O-])=O	1493
+O=S(=O)(Nc1cc(cnc1OC)-c2nn3c(ncc3C#CC(O)C)cc2)c4ccc(cc4)F	5484
+C(C(O)C)Cc1nc(c2c(n1)n(cn2)C)N	5485
+C(C)(Oc1c(Cl)cccc1)c2nnc(N=C=O)s2	775
+C(C)(N1C(NC(=O)c2[nH]cnc12)=S)c3[nH]c4ccccc4n3	3337
+c1cc(ccc1-c2ccc3c(c2)ccc(S(=O)(=O)c4c(cccc4C)C(O)C)c3)F	5486
+C(C)(c1cc2c(c(Cl)c(Cl)c(OCC(=O)O)c2)s1)=O	3
+C(C)(c1cc2cc(O)c(Cl)c(Cl)c2s1)=O	5
+c12nc(Cl)c(cc1cccc2F)C(=O)C	716
+C(C)(c1cc2c(c(Cl)c(Cl)c(OCC(=O)OCC)c2)s1)=O	52
+Cc1ccc(cc1F)C(=O)C	155
+CC(c1ccc2N(C(Sc2c1)=O)COC)c3nc(cs3)-c4nnccc4	3338
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1C)c(C(=O)N4CCN(CC4C)C(C)c5cc(C#N)ccc5)cn2	3339
+[N-]=[N+]=NC(C)c1cccc([N+]([O-])=O)c1	841
+CN(C)Cc1c[nH]c2cc(Br)ccc12	5487
+CCC(CC)(O)C#CCOS(=O)(=O)c1ccc(cc1)C	2390
+C(C)C(CC)(c1nnc(N)s1)C	1087
+FC1(F)CN(C1)c2c(nc(cc2)C(=O)NC(CC)(CC)C(=O)O)OCC3CC3	3
+C(C)C(CC)(C)C1=CC(C=C1)=C(C)C	5488
+C(C)C(CC)(C)c1ccc(cc1)O	957
+C1CC(CCC1O)C(CC)(CC)C	2391
+O=S(=O)(c1nc(ccc1C2CC2)C(NC(CC)(CC)C(NC)=O)=O)CC(C)C	712
+C(C)C(CC)(C(NC)=O)NC(=O)c1ccc(OC)c(-c2cc(ccc2)Cl)n1	712
+C(C)C(CC)(C(=O)OCC)NC(=O)c1nc(c(N2CC(F)(F)C2)cc1)OCC3CC3	244
+C(C)C(CC)(c1cc(c(C#CC2(CCCC2)O)cc1)C)c3ccc(C(NC(C)(C)C(O)=O)=O)c(c3)C	4
+CCC(CC)(c1cc(c(cc1)C(=O)O)C)c2ccc(c(c2)C)C#CC3(CCCC3)O	1
+CC(C)(C)C(=O)COc1c(C)cc(C(CC)(CC)c2cc3c(cc(C(=O)OCC)o3)cc2)cc1	717
+CCC(CC)(c1ccc(O)c(C)c1)c2cc3c(oc(C(=O)OCC)c3)c(c2)C	1848
+C(C)C(CC)(c1cc(c(cc1)C#CC2(CCCC2)O)C)c3ccc(C(OC)=O)c(C)c3	2340
+CCC(CC)(c1cc(C)c(O)cc1)c2nc3cc(C(=O)OC)ccc3o2	16
+c1cc(ccc1Br)C(CC)(CC)c2ccc(c(C)c2)OCc3ccccc3	22
+c1cc(ccc1C(CC)(CC)c2c[nH]c3c2cccc3N)F	1263
+c1cc(ccc1C=Cc2c(C#N)cc(F)cc2)F	5489
+CCC(CC)(c1cc(c(O)cc1)C)c2cc3sc(cc3cc2)C(OCC)=O	1848
+C(C)c1cccc(CC)c1C(=O)Nc2sc(nn2)C(CC)(CC)C	548
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2sc3ccc(OC)cc3c2)C)=O	717
+C(C)C(CC)Nc1c(nccc1)N2CCN(CC2)C(OCc3ccccc3)=O	2392
+C=1C=CC(C=1)=C(CC)CC	5490
+CCC(CC)Nc1c2n(nc1CC)c(-c3c(OC)cc(C)cc3C)ccc2OC	5491
+c1ccccc1COc2cc(ccc2[N+]([O-])=O)CC(C(=O)CC)C	5492
+c1cc(ccc1C(OC)=O)NC(c2c(c3c(s2)cccc3)C)C(CC)CC	5493
+CCC(CC)C(CO)NS(=O)(=O)c1sc(cc1)Cl	21
+CC(C)(C)OC(N1CCN(CC1)C(c2c(cccc2)F)CNCC(CC)CC)=O	132
+C(C)C(CC)CC(OC(c1ccc(cc1)OC(=O)C)=O)C	279
+c1cc(ccc1C(OC(C)CC(CC)CC)=O)O	173
+C(C)C(CC)CNC(c1ccc2cccc(c2c1)Cc3c(cc(C(=O)OC)cc3)OC)=O	14
+C(C)C(CC)CNC(=O)CN1C=CC=C(NC(=O)OCc2ccccc2)C1=O	9
+CCC(CC)CNC(CN1C=CC=C(N)C1=O)=O	1849
+C(C)C(CC)CNC(c1ccc2cccc(c2c1)Cc3ccc(C(O)=O)cc3OC)=O	1
+O=S(=O)(c1ccccc1C)NC(=O)c2cc(c(Cc3c4c(ccc3)ccc(C(NCC(CC)CC)=O)c4)cc2)OC	258
+C1CN(CCN1c2ccc(cc2)Nc3nc4c(NC(=O)N4C(CC)CC)cn3)C(C)=O	55
+c1cc(ccc1C2C(CC(CC3=NOC(=O)N3)(C(N2C(CC)CC)=O)C)c4cccc(c4)Cl)Cl	3340
+c1cc(ccc1C2N(C(CC)CC)C(=O)C(CC#N)(CC2c3cccc(Cl)c3)C)Cl	143
+CCC(CC)NC(c1ccc(cc1)-c2scc(-c3c(cccc3)Cl)c2CC(OC)=O)=O	1074
+C(C)C(CC)NC(n1c2c(cc1)cc(cc2)Oc3ccnc(NC(Oc4ccccc4)=O)c3)=O	278
+CCC(CC)Nc1ccc(cc1N)C(OC)=O	0
+C(C)C(CC)Nc1nc(c(-c2cc3c(cc2OC)CCC3)nc1CC)CC	356
+c1c(C)c(c(cc1C)C)Oc2c(c(cc(C)n2)NC(CC)CC)[N+](=O)[O-]	136
+C(C)C(CC)n1c2ccc(cc2nc1Cc3sc(cc3)Cl)C(=O)OC	1264
+C(C)C(CC)Nc1nc(ncc1N)Cl	193
+C(C)C(CC)N1C(=O)Nc2cnc(nc12)Cl	3341
+CCC(CC)Oc1cc(c(-c2c(cc(cc2)OC)Cl)nc1NC)Br	3342
+CCC(CC)Oc1ccc(nc1NC)I	70
+CCC(CC)c1cc(C(=O)OC)cc(n1)OC	5494
+C(C)C(CC)c1c2c(c(Cl)cc1)nc(Cl)n2CCCC(=O)OCC	1088
+CN(C)c1ncc(c(C)c1)Nc2nc3c(c(C(CC)CC)ccc3Cl)n2CCCC(=O)OCC	3343
+C(C)C(CC)c1ccc(Cl)c2nc(n(CCCC(=O)OCC)c12)Nc3c(Br)cc(C)cc3	1494
+C(C)C(CC)c1c2c(nc(Nc3c(cc(OC)nc3)C)n2CCCC(=O)OCC)c(Cl)cc1	3343
+C(C)C(CC)c1c2n3c(nc2c(Cl)cc1)N(c4ccc(cc4Br)C)CCCC3	2393
+C(C)C(CC)c1c2n(CCCCO)c(nc2c(Cl)cc1)Nc3c(cc(OC)nc3)C	44
+C(C)C(CC)c1c2c(nc3N(c4cnc(cc4C)O)CCCCn23)c(Cl)cc1	104
+C(C)C(CC)c1ccc(c2c1n(c(Oc3c(Cl)cc(cc3N(C)C)Cl)n2)C)Cl	79
+C(C)C(CC)c1c2c(nc3N(c4cnc(cc4C)OC)CCCCn23)c(Cl)cc1	2394
+CCC(CC)c1c2n(c(Nc3ccc(Cl)cc3Cl)nc2c(Cl)cc1)CC(=O)OCC	1494
+C(C)C(CC)c1cc(C)nn2c(-c3sc(cc3C)Br)c(nc12)C	407
+CN(C)c1[n+](cc(N2CCCCn3c4c(c(Cl)ccc4C(CC)CC)nc23)c(c1)C)[O-]	103
+c1cc(ccc1F)-c2sc(-c3n4c(nc3C)c(C(CC)CC)cc(C)n4)c(c2)C	5495
+C(C)C(CC)c1c2nc(C)c(-c3sc(cc3Cl)-c4nc(ccc4)C)n2nc(C)c1	5496
+C(C)C(CC)c1c2n(c(Cl)nc2c(Cl)cc1)CC(OCC)=O	5497
+C(C)C(CC)c1c2c(nc(Nc3c(Br)cc(C)cc3)n2CCCCO)c(Cl)cc1	44
+C(C)C(CC)c1ccc(c2nc(n(C)c12)Oc3c(cc(SC)cc3Cl)C)Cl	1850
+C(C)C(CC)c1ccc(c2nc(n(C)c12)Oc3c(cc(cc3Cl)C(O)=O)C)Cl	595
+C(C)C(CC)c1ccc(c2nc(Oc3c(cc(cc3C)S(=O)C)Cl)n(C)c12)Cl	357
+C(C)C(CC)c1ccc(c2nc(n(C)c12)Oc3c(cc(C(=O)N)cc3C)Cl)Cl	169
+CC(C)(C)OC(=O)N1C(Nc2c1cccc2C(CC)CC)=O	5498
+C(C)C(CC)n1c2c(nc1Cc3sc(cc3)Cl)cc(C(O)=O)cc2	1
+C(C)C(CC)n1c(C(=O)N(C)C)cc2cnc(Cl)nc12	147
+c1cc(ccc1C=Cc2c(cc([N+](=O)[O-])c(OCC(CC)CCCC)c2)OCC(CCCC)CC)C#N	1265
+O=S(=O)(c1c(N)cc(Cl)cc1Cl)NC(CNc2ccc(C)cc2C)CC	71
+CCC1(CC)c2cc(ccc2N(C(C)C)C1=O)[N+]([O-])=O	3344
+C(C)C1(CC)c2c(N(C)C1=O)cc([N+](=O)[O-])c(N)c2	106
+CCC1(CC)C(N(C)c2ccc(cc12)NC(C)=O)=O	1089
+C(C)C=CCC=CCC=CCC=CCC=CCCCCOC(CC)C(=O)NCCO	9
+CC(C)(C)OC(NCCNC(C(OCCCCC=CCC=CCC=CCC=CCC=CCC)CC)=O)=O	9
+C(C)C=CCC=CCC=CCC=CCC=CCCCCOC(C(=O)NCCOC(=O)Cl)CC	5499
+c1cc(ccc1C=C(C(CCC)=O)C(OCCC#N)=O)[N+]([O-])=O	2395
+c12cc(CCC)[nH]c1cc(cc2)C(=O)OC	3345
+c1c([N+]([O-])=O)cc(cc1C(=O)OCCC(C)(CCC)S)[N+]([O-])=O	279
+c1(c(C#N)c(O)nc(CCC)c1)C	3346
+C(CC)C(CCC)(C(=O)OCC)Oc1c(cc(cc1)Cl)C=C2c3ccc(cc3NC2=O)Cl	1495
+CCCC(CCC)(CO)COC	76
+c1cc(ccn1)-c2cc3c(C(NC(CCC)(CCC)N3)=O)s2	3347
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1NC(=O)CCC)[N+](=O)[O-]	166
+c1c(N)cc(cc1)NC(=O)CCC	0
+Cc1cc(c(c(C)c1)CCCC)O	165
+C1(CCC)CCC(CCC)N1	25
+c1(C(CCCC)N)cc(c(OC)cc1)OC	840
+C(CC)CCOCCCCCO	176
+c1n(CCCCC)c2ccccc2c1C(Cc3c(cccc3)OC)=O	339
+C(=O)(c1cccc2ccccc12)c3c4c(n(CCCCC)c3)ccc(OC)c4	339
+C(CCCC)Oc1cccc(O)c1	8
+c1cc(ccc1F)C(C#N)CCCCC	5500
+c1cc(ccc1S)N(c2ccc(cc2)[N+](=O)[O-])CCCCC	2396
+C(Cn1nc(c2c1cccc2)C(OC)=O)CCC	1090
+c1cc(ccc1CN(CCCCCC)c2cc3c(OC(C)(C)OC3=O)cc2)C#Cc4ccc(cc4)OC	713
+CCCCCCC1(CCCCCC)c2c(-c3c1cc4C(=O)C(Cc4c3)C)cccc2	3348
+C1CN(CCN1c2ccc([N+]([O-])=O)cc2C=C)C	5501
+C1CC(CCC1)C(NCCc2csc3ccc(cc23)C=C)=O	1496
+C1CN(CCC1Nc2c([N+](=O)[O-])ccc(C=C)c2)C3CCC(CC3)OCCC	651
+C1CC1N2c3c(F)c(F)c(c(C=C)c3C(C(C(OCC)=O)=C2)=O)F	651
+C1CC(CCO1)N2CCC(CC2)Nc3c([N+](=O)[O-])ccc(C=C)c3	651
+CC(C)(C)C(=O)Nc1ccc(C=C)cn1	1851
+CC(C)(C)OC(Nc1ccc(c(c1C(OCc2ccccc2)=O)C)C=C)=O	651
+CC(C)(C)OC(N1CCC1COc2cnc(Cl)c(c2)C=C)=O	1851
+CCCCC1(CCCC)c2ccc(cc2C(O)=C(C1=O)C=3NS(=O)(=O)c4cc(ccc4N=3)C=C)F	1496
+Clc1ccc(CC(OC)=O)c(C=C)c1	1496
+FC(F)(F)Oc1ccc(cc1)-n2ncc3c2ccc4cc(ccc34)C=C	651
+FC(F)(F)C(C)(C)c1c(cc(cc1F)C=C)F	3349
+c1cc(ccc1CC(OCC)C(OCC)=O)C=C	3349
+FC(F)(F)c1c(C#N)ccc(C=C)c1	651
+FC(F)(F)c1c(C)n2c(ccc(C=C)n2)n1	5502
+FC(F)(F)c1ccc(cn1)C=C	1851
+C1CCN(C1)c2nc(C=C)cc(c2)S(=O)(=O)c3ccc(cc3)N	5503
+O=S(=O)(c1ccccc1F)c2cnc(cc2)C=C	1852
+O=S(=O)(n1ccc2c(cccc12)C=C)c3sccc3	5504
+c1([N+]([O-])=O)ccc(C=C)c(C)c1	651
+c12-c3c(cccc3)C(c1cccc2)COC(=O)NC(c4cc5c(c(C=C)n4)c(Cl)ccc5)C	1852
+C(=C)c1c2c(ccc(O)c2)ccc1	1496
+C(C)OC(=O)c1cc(C=C)c(F)cc1	651
+CC(=O)NCCc1coc2c1cc(cc2)C=C	1496
+c12cc(ccc1nccc2Cl)C=C	651
+c1c(Br)ccc2ccc(C=C)cc12	651
+C(=C)c1cccc2cc[nH]c12	5505
+c1cc(ccc1)COc2nc(C=C)ccc2[N+]([O-])=O	1852
+c1cc(ccc1-c2nc3n(c2)cc(C=C)c(C)c3)N(C)C	1851
+c1cc(ccc1-c2noc3-c4ccc(cc4CCc23)C=C)CCC	651
+c1cc(ccc1OC)CN(c2nccs2)S(=O)(=O)c3ccc4c(c3)OCCN4c5ccccc5C=C	651
+c1cc(ccc1OC)Cn2c3c(c(ncn3)NC(c4cc5c(c(C=C)n4)c(Cl)ccc5)C)nc2	1852
+c1(SC)nc(C=C)cc(n1)-n2c(C)nc(n2)C	5506
+n1ccc(C=C)c2cc(C#N)ccc12	5507
+C1C(CC1)N2Cc3c(C2=O)c(c4cccc(c4n3)-c5c(cc(F)cc5)C#N)N	5508
+c1ccccc1C=2C(=O)N(Cc3ccccc3)c4c(c(c(C(OC)=O)nc4-c5cccnc5)O)C=2	1853
+c1cc(ccc1)C(N2c3c(C=C(C2=O)c4ccccc4)c(O)c(C(=O)OC)nc3-c5cnccc5)C	1853
+c1cc(ccc1)CN2C(C(=Cc3c(c(C(=O)OC)nc(c23)-c4cnccc4)O)Cc5ccccc5)=O	1853
+c1cc(ccc1)CCC=2C(=O)N(Cc3ccccc3)c4c(C=2)c(O)c(C(OC)=O)nc4-c5cnccc5	1853
+C(c1ccc(cc1OC)OC)N2c3c(cc(c(-c4occc4)n3)F)C(=O)C(C(=O)OCC)=C2	5509
+N#Cc1ccccc1Oc2c(O)cc(c(-c3ccco3)c2)C	5510
+c1cc(ccc1OC)Cn2cnc3c(nc(nc23)N)-c4occc4	5511
+C(OC(=O)C(C(=O)OCC)c1cnc(c(C)c1)-c2ccnc(C)c2)C	5512
+c1cnccc1-c2nc(C(OC)=O)c(O)c3C=C(C(N(CC4CCCCC4)c23)=O)c5ccccc5	5513
+CC(C)(C)OC(NC1CCCCC1Nc2c(F)c3CN(C(c3c(-c4sncc4)n2)=O)C(=O)OC(C)(C)C)=O	5514
+FC(F)(F)c1cc(Nc2nc(-c3scnc3)cc(N)c2)ncc1	5515
+c1cc(ccc1-c2nccn2C)Cc3c(nc4c(F)ccc(c4c3OC(F)F)OCC(=O)OC)CC	5516
+CC(C)(C)OC(=O)NC1CCCc2c1sc(-c3c(c4c(C(NC(=O)N4C5CC5)=O)cc3F)C)c2	5517
+CC(C)(C)OC(=O)NCCC(=O)OCC(N(CCC)CCC)=O	3350
+C(CC)N(CCC)c1ccc(Br)c2c1n(c(Nc3c(cc(cc3C)C)C)n2)C	1494
+C(CC)c1c(ccc2C(=O)CC(Oc12)C(=O)OCC)OCCCCCOc3ccc(c(c3CCC)O)C(C)=O	3351
+C(C)N(CC)C(=O)C1Sc2c(cccc2)-c3[nH]c4c(cc(cc4)OC)c13	5518
+C(C)N(CC)C(=O)C1Sc2ccccc2-c3n(c4c(cc(OC)cc4)c13)CCF	1854
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N2CCC(CC2)=NOCC(=O)N(CC)CC	5519
+FC(F)(F)c1cnc(Oc2cc(OCC(N(CC)CC)=O)ccc2CCC(=O)OCC)c(Cl)c1	648
+CCN(CC)C(Cc1cccc(Oc2c(F)cccc2)c1N)=O	0
+CCN(CC)C(Nc1c(nn(c1)C2OCCCC2)-c3nc4c(cc(c(c4)NCCN(C)C)F)[nH]3)=O	5520
+CCN(CC)C(=O)c1cc(Br)c2ccccc2c1OC	38
+C(C)N(CC)C(=O)c1ccc(cc1)C(c2c(cccc2)OC)OC(=O)C	152
+c1(c2c(cc(CCN3C(CO)CC(O)C3)n1)c(C)ccc2)O	5521
+C[Si](C)(c1ccc2c(cccc2)c1C(N(CC)CC)=O)CCl	1091
+CCN(CC)C(c1cnc(c(c1)NC(=O)Cc2ccc(cc2)OCC)NCC=C)=O	308
+C(C)N(CC)C(c1ccc(C(NN)=O)s1)=O	5522
+C1CN(CCN1c2ccc(CN3C(=O)c4ccccc4C3=O)cc2F)C(c5ccccc5)C(=O)N(CC)CC	2397
+C(C)N(CC)C(C(c1ccccc1)N2CCN(CC2)c3c(F)cc(cc3)CO)=O	41
+C(C)N(CC)CCc1c(cc(cc1)[N+](=O)[O-])Cl	15
+CCN(CC)C(N)=C(C(N)=S)C#N	5523
+C(C)N(CC)C(=O)c1cnc(c(N)c1)NCC=C	13
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(C)=NNC(c3ccc(s3)C(N(CC)CC)=O)=O)c2O	2398
+c1cc(ccc1Cc2c(cccc2)O)C(N(CC)CC)=O	5
+C(C)N(CC)C(c1cnc(nc1)C2(CCN(CC2)CC(CCC)C)c3cccc(N)c3)=O	1497
+C(C)N(CC)C(c1cnc(nc1)C2(CCN(CC2)CC(CCC)C)c3cccc(NS(=O)(=O)C)c3)=O	80
+CC(C)(C)OC(=O)N1CC(CCC1)C(N)=O	3352
+Cc1ccc(c(C(=O)N)c1)[N+]([O-])=O	5524
+O=S(=O)(C)N(S(=O)(=O)C)c1ccc(cc1I)[N+](=O)[O-]	5525
+c1cc(ccc1OC)Cn2ncc3c2cc(cc3)C(COS(=O)(=O)C)OS(=O)(=O)C	5526
+c1cc(ccc1Br)C(C)C(N)=O	3352
+C1SC(SCC1)CCC#CCN(CC)CC	5527
+C(C)N(CC)CC#CCCC=O	24
+C1CCCCC1C(C(OCC#CCN(CC)CC)=O)(c2ccccc2)O	5528
+C(C)N(CC)CC(N1c2cc(ccc2Sc3ccccc13)C(N)=S)C	1855
+CC(C)CNC(c1ccc2Sc3c(N(C(CN(CC)CC)C)c2c1)cccc3)=S	5529
+C(C)N(CC)CC=Cc1cc(ccc1S(=O)(=O)Nc2cc(c3c(OCC4CC34)c2C(O)=O)F)F	1
+CCN(CC)CCCc1cc(F)ccc1S(=O)(=O)Nc2ccc3c4ccoc4cnc3c2C(=O)OC	374
+c1cc(ccc1Cn2c3c(cc2)cc(cc3)OCCCCN(CC)CC)Br	190
+CCN(CC)CCCNc1cc(ccc1[N+](=O)[O-])OCCCN(CC)CC	60
+Fc1cccc(F)c1N2C(=O)C=Cc3c(nc(NCCCN(CC)CC)nc23)Cl	306
+Fc1cccc(F)c1N2C(=O)C=Cc3c(-c4cc(C(O)=O)ccc4C)nc(nc23)NCCCN(CC)CC	306
+c1cc(ccc1)-c2cnn(CC(NCCCN(CC)CC)=O)c2	271
+c1cc(ccc1N)OCCCN(CC)CC	0
+C(C)N(CC)CCCc1ccc2c(cc(CO)[nH]2)c1	194
+c1ccccc1-c2cc3c(cc2)C(=Cc4cc5c([nH]4)ccc(CCCN(CC)CC)c5)C(=O)N3	292
+C(C)N(CC)CCCc1ccc2[nH]c(cc2c1)C=O	178
+Ic1cc(cc(I)c1OCCN(CC)CC)C(=O)c2c(CCC(=O)OC(CC)C)oc3c2cccc3	72
+C(C)N(CC)CCOc1c(cc(cc1)Br)F	72
+C(C)N(CC)CCOc1c(CC(=O)OCc2ccccc2)cccc1	72
+c1cc(ccc1Br)OCCN(CC)CC	72
+CCN(CC)CCOc1ccc(cc1)C(CCC)=O	72
+C(C)N(CC)CCOc1c2c3c(c(ccc3)C)n(Cc4ccc(cc4)F)c2ccc1	72
+c1ccccc1Cn2c3cccc(OCCN(CC)CC)c3c4c2c(F)ccc4	72
+CCN(CC)CCNC(=O)c1cc(C)[nH]c1C=O	56
+CCN(CC)CCNC(Cc1c(c([nH]c1C)C=O)C)=O	9
+CCN(CC)CCNC(=O)c1cc(c([nH]1)C=O)C	81
+CCN(CC)CCNC(=O)c1cc(c(Nc2cncc(-c3ccc(cc3)O)n2)cc1OC)Cl	14
+CCN(CC)CCNC(c1cc(C=C2c3c(Cl)nc(nc3N(C2=O)Cc4ccncc4)N)[nH]c1)=O	56
+Clc1cc(cc(Cl)c1)OC2CCN(C(=O)N(CC)CCN(CC)CC)C2	776
+CC1(C)C(C)(C)OB(O1)c2cc(F)c(cc2)OCCN(CC)CC	17
+C(C)N(CC)CCc1c(Cl)cc(cc1)N	0
+C(C)N(CC)Cc1c(C(O)C)c(c2cc(OC)c(cc2n1)OC)-c3ccc(OC)c(OC)c3	652
+C(C)N(CC)Cc1sc(-c2onc(-c3cc(c(NC(COCc4ccccc4)=O)c(Cl)c3)C)n2)cc1C	26
+C(C)N(CC)N=Nc1c(c(C(O)C)cc(Cl)c1C#C)-c2cc(F)ccc2	74
+C(C)N(CC)N=Nc1c(-c2cccc(c2)F)c(C(=O)C)cc(Cl)c1C#C	5530
+C(C)N(CC)N=Nc1c(c(C(O)=O)cc(Cl)c1C#C)-c2cc(ccc2)F	1
+C(C)N(CC)N=Nc1c(C#C)c(Cl)cc(c1-c2cc(ccc2)F)C(N(OC)C)=O	280
+CC(C)(C)[Si](C)(C)OCCCOc1c(-c2ccc(c(C)c2)N(CC)CC)cc(cc1)-c3ccc(cc3)C(=O)OCC	11
+C(C)N(CC)c1c(C)cc(cc1)B(O)O	281
+CCN(CC)c1nc(cc(C)c1)C(NO)=N	958
+C(C)N(CC)c1cc(cc(C=O)n1)C	3353
+C(C)N(CC)c1cc(C)cc(C#N)n1	5531
+C(C)N(CC)c1ccc(C=Nc2sc(c(c2C(OCC)=O)C(OCC)=O)N)s1	5532
+C[Si](C)(C)C#Cc1ccc(cc1)N(CC)CC	311
+CCN(CC)c1nc(cc(c1)C)C=C	3354
+CCN(CC)c1nc(nc2c1cccc2)N3CCC(CC3)CN	549
+C(C)N(CC)c1nsc(NC(=O)NC)c1C(=O)N	1856
+O=S(=O)(OCCN(CC)c1ccc(c(c1)NC(=O)C)N=Nc2c(cc(cc2)[N+](=O)[O-])OC)c3ccccc3	1226
+c1cc(ccc1Cl)C2=NC=CN(CC)C2=O	5533
+n1cc(cnc1N2CCCN(CC2)CC)C(=O)OC	117
+c1cc(ccc1OCCCCN(CC)CC)C#N	5534
+CCN(CC)C(c1c2ccccc2[nH]c1C(OCC)=O)=O	211
+C(C)N(CC)CCC1(C=CCC=C1)c2ccccc2	123
+C1C2CC3CC(CC1C3)C2NC(=O)c4c(n(C)nc4)N(CC)CC	959
+C1CC(CCN1Cc2ccccc2)(c3cc(OC)ccc3)c4ccc(cc4)C(N(CC)CC)=O	3355
+C1CCCN1c2nc(N(CC)CC)nc(c2)Cl	117
+C1CN(CCC1c2c[nH]c3c(C(=O)N)cc(-c4ccc(cc4)CN(CC)CC)cc23)S(=O)(=O)CC	48
+CCN(CC)Cc1[nH]c(nc1)[N+](=O)[O-]	5535
+c1cccc2nn(nc12)-c3c(c(CN(CC)CC)cc(C)c3)O	1092
+n1c2ccccc2nn1-c3c(c(CN(CC)CC)cc(CCO)c3)O	1092
+CC(C)(Oc1ccc2c(c(C(=O)OCc3ccccc3)c(C)[nH]2)c1)C(N(CC)CC)=O	10
+CC(C)(C)CCN1C(=O)C(C=2NS(=O)(=O)c3cc(NS(=O)(=O)CCN(CC)CC)ccc3N=2)=C(C(=N1)c4cccs4)O	3356
+CC(C)(C)OC(=O)N1CCC(CC1)=C(Br)c2ccc(cc2)C(N(CC)CC)=O	30
+CC(C)(C)OC(=O)NCC(c1c([nH]c2c1cc(C(C)(C)C(N(CC)CC)=O)cc2)-c3cc(C)cc(C)c3)C	10
+CC(C)(C)OC(=O)Nc1c(cc(c(N(CC)CC)c1)C#N)[N+]([O-])=O	34
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)OCCCCN(CC)CC	28
+CC(C)(C)OC(=O)N1CCC(CC1)N(C(N(CC)CC)=O)C2CCCCC2	2399
+CCN(CC)CC=C(C=CCC(CCC=C(C)C)C)C	3283
+CC(C)Oc1ccccc1-c2c(OC)cccc2C(=O)N(CC)CC	30
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4cc([nH]n4)C)[nH]3)CCN(CC)CC	28
+CCN(CC)C(CC#N)=O	1857
+CCN(CC)C(c1c([nH]cc1)C)=O	1858
+C(C)N(CC)C(CCC#Cc1cn(c2c1c(nc(n2)N)Cl)Cc3c(c(c(C)cn3)OC)C)=O	10
+C(C)N(CC)Cc1nc2cc(c(cc2c(c1C(C)=O)-c3cc(c(cc3)OC)OC)OC)OC	596
+CCN(CC)C(=O)c1c(C)cc(OC)cc1	30
+C(C)N(CC)c1nc(cc(C)c1)Cl	43
+FC(F)(F)COc1cc(ccc1CC(OC)=O)OCC(O)CN(CC)CC	170
+FC(F)(F)c1cc(ccc1)N=C2c3ccccc3N(c4ccc(cc4)OCCCN(CC)CC)C2=O	28
+FC(F)(F)c1cccnc1N2CCN(CC2)c3nc(N(CC)CC)nc(-c4ccc(F)c(Cl)c4)c3	117
+CCN(CC)CC(O)COc1cc2nccc(c2cc1C#N)Oc3ccc(c(Cl)c3)N	170
+CCN(CC)C(COc1cccnc1Br)=O	10
+C(C)N(CC)CC(c1c([nH]c(C=O)c1C)C)=O	1498
+C(C)N(CC)CC1Oc2cc(S(=O)(=O)C)ccc2OC1	236
+C(C)N(CC)S(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2	92
+CCN(CC)Cc1sc(cc1C)C(O)=O	509
+c1(C)cccc(C)c1N(S(=O)(=O)C)CC(N(CC)CC)C	1499
+CCN(CC)C(=O)c1c(cccc1)Cl	115
+CCN(CC)C(c1ccoc1C)=O	1859
+CCN(CC)C(=O)CCCn1nnnc1C	10
+C(C)N(CC)CCCN1c2c(cccc2)Oc3ccccc13	53
+C(C)N(CC)C(=O)Cc1cccc(Oc2ccccc2F)c1[N+]([O-])=O	10
+CCN(CC)c1cccc(C(=O)Nc2cc(cc3n[nH]cc23)-c4cccc5c4cc[nH]5)n1	43
+C(C)N(CC)C(=O)C1CC(=O)c2c(cccc2)S1	10
+C(C)N(CC)CCCOc1ccccc1-c2c3c(N=C(SCC(=O)OCC)N(C3=O)c4cc(F)ccc4)sc2	53
+C(C)N(CC)CCCCOc1ccc(cc1)C(=O)c2c3ccccc3oc2-c4ccccc4	28
+c1(C)cccc(C)c1N(C(c2ccccc2)=O)CC(C)N(CC)CC	3357
+CCN(CC)CCOc1cc2c(c(C)n(C)c2cc1)C(=O)OCc3ccccc3	53
+c1cc(ccc1-c2c(cnn2C)C=CC(Nc3ccc(cc3)CC(N(CC)CC)=O)=O)F	10
+c1cc(ccc1F)-c2nc(CCCC)n(Cc3ccc(cc3)-c4c(C#N)cccc4)c2C(=O)N(CC)CC	777
+CCN(CC)Cc1cccc(C(=O)Nc2cc(ccc2C)NC(c3ccc(cc3)C#N)=O)c1	171
+c1cc(ccc1C(N(CC)CC)=O)CO	30
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C	28
+c1cc(ccc1SC)C(=O)C2(CCCCC2)N(CC)CC	1860
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCN(CC)CC	123
+c1cc(ccc1NC=C2c3ccccc3NC2=O)OCCCN(CC)CC	183
+O=S(=O)(N(CC)CC)c1ccc(cc1)[N+]([O-])=O	92
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4ccc(cc34)-c5c(CN(CC)CC)ccc(F)c5)N	171
+CCN(CC)Cc1onc(-c2c3C4CCCN4C(=O)c5c(cccc5Cl)-n3cn2)n1	960
+C(C)N(CC)c1nc(nc2ccccc12)Cl	54
+c1cc(ccc1-c2cc3c(cc2)oc(CCN(CC)CCC)c3)C#N	123
+Cc1cc(cc(C)c1-n2c3c(c(C)c2)c(N(CCCC)CC)nc(C)n3)C	778
+CCOB(O)c1cc2c(cc1OC)CCC2	3358
+CCOC(C1=CN=C2N(C1=O)C=Nc3c2cccc3)=O	5536
+c1ccccc1COC(n2ccc3c(OC(C(=O)OCC)C(=O)OCC)cccc23)=O	5537
+c1cc(ccc1)Cc2ccc3oc(C(OCC)=O)cc3c2	5538
+CC1(C)c2c(C(=C(C(=O)OCC)C1=O)O)ccc(O)c2F	3359
+C(Cc1ccc([N+]([O-])=O)cn1)(OCC)=O	2367
+C(C)OC(c1c(O)c2c(c(C)cc(OC)c2)nc1)=O	1861
+CCOC(c1c(O)c2c(c(Cl)nc(C)c2)nc1)=O	5539
+c1(cnc2ccc(OC)cc2c1Cl)C(=O)OCC	5540
+c1c(cc2ncc(c(O)c2c1)C(=O)OCC)Br	1861
+c1ncc(nc1C)C(NC23CC(CCC2)(CC3)C(=O)OCC)=O	312
+FC(F)(F)S(=O)(=O)Oc1n(-c2c(ccc(c2)F)F)nc(c1)C(=O)OCC	5541
+C(C)OC(=O)C=1C(=C(C(=O)N(C=1C)C)C)Nc2c(F)cc(C)cc2	5542
+C(C)OC(C=1C(=C(C(N(C=1CBr)C)=O)C)Nc2c(F)cc(C)cc2)=O	1093
+C1CC1CONC(C=2C(=C(C(=O)N(C)C=2C)C)Nc3c(F)cc(cc3)C)=O	5543
+O(C(=O)C(C(OCC)=O)CCCCCCC=C)CC	1862
+C(OCC)(=O)C(C(OCC)=O)CCCCCCCCCC	1862
+O=C(OCC)C(C(=O)OCC)C(=O)c1c(C)c([N+](=O)[O-])ccc1	2400
+C(c1c2c(ccc1OC)C=C(C(=O)OCC)C(=O)O2)CC	3360
+C(c1c2c(ccc1OCCF)C=C(C(=O)OCC)C(=O)O2)CC	3360
+O(CC)C(=O)C(C(OCC)=O)CC1CCCCC1	1862
+C1CC(CCC1C(=O)C(C(=O)OCC)C(=O)OCC)CCC	3259
+C1CC1COc2c([N+]([O-])=O)ccc(C(C(OCC)=O)C(OCC)=O)c2	1266
+CC(C)CN1c2ccccc2C(O)=C(C1=O)C(OCC)=O	3361
+CC1(C)Cc2c(c(c(C3CC(=O)C=C(O)C3)c(c2O1)Cl)C)C	5544
+C1(CC(CC(=O)C1)c2c(F)ccc(C)c2)=O	5545
+Cc1c2cc(C(=O)OCC)c(O)nc2nc(OC)n1	5546
+O=C(OCC)C(C(=O)OCC)c1c(cccn1)Cl	3362
+O(CC)C(=O)C(C(OCC)=O)Cc1c(cccc1Br)Cl	2401
+Clc1ccc(c(-c2oncc2CCC(OCC)=O)c1)Cl	2402
+CCOC(=O)C(C(=O)OCC)C(=O)c1c(F)c(OC(F)F)c(c(F)c1)F	2400
+O=C(OCC)C(C(=O)OCC)C(=O)c1cc(F)c(cc1Br)F	2400
+CCOC(C=1C(N(C)C(C)=CC=1O)=O)=O	5547
+O(C(=O)C(C(OCC)=O)CC(CCCCC)c1c2OCOc2ccc1)CC	5548
+O=C(OCC)C(C(=O)OCC)c1ncc(cc1Cl)Br	3362
+O(CC)C(=O)C(C(OCC)=O)c1cc(c(nc1)Cl)C	5549
+c1c(cc(C)c(NC(CC(OCC)=O)=O)c1)Br	5550
+O(CC)C(=O)C(C(OCC)=O)c1cc(c([N+]([O-])=O)cc1)OC	1266
+c1c(ccc(-c2oncc2CCC(OCC)=O)c1F)F	2402
+O(C(=O)C(C(OCC)=O)c1c(ccc(F)c1)[N+](=O)[O-])CC	1266
+C1CC(CCO1)(C(=O)C(C(=O)OCC)C(=O)OCC)c2ccccc2	3363
+CCOC(=O)C(C(=O)OCC)Cc1ccc(cc1)Br	2401
+c1cc(ccc1OCCC(C(OCC)=O)C(OCC)=O)Br	1862
+O(C(=O)C(C(OCC)=O)Cc1cccc(Cc2nc(oc2C)-c3ccc(cc3)C)c1)CC	2401
+c1cc(ccc1CN2C(C3=C(C=N2)C=C(C(=O)N3C)C(OCC)=O)=O)OC	5551
+c1cc(ccc1F)CN2C(=O)C(=C(c3ccccc23)O)C(OCC)=O	3361
+c1cc(ccc1SC)C2CC(C=C(O)C2)=O	5552
+c1ccccc1-c2ccc(cc2)-c3c(CCC(OCC)=O)con3	2402
+c1nc(ncc1Br)NC2CC(CC)N(C(=O)OCC)c3ccc(OC)nc23	96
+O(CC)C(=O)N1CC(N(CC1C)CC=C)C	1863
+C1CCC(C1)Oc2c(OC)cc3c(C=CN(C(=O)OCC)C3Cc4cccc(OC)c4)c2	313
+C1CN(CCC1(C(OCC)=O)F)C2CCN(CCC2)C(OCC)=O	85
+O1CCOC12CCN(C(OCC)=O)CCC2	381
+c1cc(ccc1)CNC2CCN(C(OCC)=O)CCC2	87
+c1cc(ccc1)CN2CCN(CCC2)C(=O)OCC	131
+N1(Cc2sc3c(c2C1)c(ncn3)Nc4cc(c(cc4)Cl)Cl)C(OCC)=O	1500
+C(C)OC(=O)N1Cc2c(C1)sc3c2c(ncn3)Cl	779
+C(C)OC(n1c2c(cc([N+]([O-])=O)cc2)c(n1)OC)=O	5553
+C(c1c(C(=O)OCC)cc(OC)cc1)Br	29
+O=S(=O)(CCC)Nc1ccc(Cl)c(C(OCC)=O)c1F	80
+C1COCCN1c2nc(N(CC)C)c(C(OCC)=O)c(c2)C	43
+COc1cc2c(N)c(cnc2cc1)C(=O)O	6
+C(C)OC(=O)c1c(N)ccc(-c2cnn(CCCCO)c2)n1	1864
+Nc1c(C(NC)=O)nc(cc1)Br	780
+FC(F)(F)c1ccccc1-c2c([nH]c(C(=O)OCC)c2C)C	550
+CC(C)(C)C(NCc1ccc(c(C(OCC)=O)c1F)Cl)=O	68
+c1(csc(c1C)C)C(=O)OCC	5554
+c12CCCC(c1scc2C(=O)O)=O	6
+c12ccc(C#N)cc1[nH]c3c2c(ncn3)O	3364
+c1c(C)c(ccc1CO)Br	217
+C1CC1c2c(ccc(C(OCC)=O)c2)F	3365
+CCCCc1n[nH]c(C(=O)O)c1	6
+c1c(C(=O)O)ccc(C)c1OCOC	6
+c1c(c(F)ccc1CO)Oc2cnccn2	217
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(Nc4c(cc(cc4)C(OCC)=O)F)=O)C5CCCCC5	33
+CC(C)(C)OC(=O)N1CCC(CC1)COc2ccc(cc2OC)C(=O)OCC	267
+O=C(N1C(C)CCC1)c2n3CCOCc3c(c2)C(=O)O	6
+C(C)OC(=O)c1cc(n2CCOCc12)C(=O)N3C(C)CCC3	147
+FC(F)(F)c1c(n2c(cc(C(OCC)=O)cc2Cl)n1)CC3CCC(CC3)(F)F	5555
+CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c2c(n[nH]c2C)-c3[nH]c4cc(C(OCC)=O)ccc4n3	597
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(c(C)c4c3ccc(C(=O)OCC)c4)C)=O	190
+C(c1cc2c(cc1)cccc2[N+]([O-])=O)(=O)O	6
+c1c2cc(n3c2c(CC3)cc1)C(=O)O	6
+c1cc2n3c(nc2cc1CO)CN(C)CC3	217
+c1cc2nc(SC)sc2cc1CO	217
+Fc1cccc(F)c1S(=O)(=O)Nc2c(F)ccc(c2)C(OCC)=O	69
+CC(C)(C)OC(Nc1ccc(C(=O)OCC)cc1[N+](=O)[O-])=O	150
+C(C)OC(=O)c1ccc(N)cc1F	0
+c1([N+]([O-])=O)cc(C(=O)O)ccc1NCCOC	6
+NNC(c1ccc(c(c1)O)C)=O	1094
+c1c(C)c(c(cc1)C)COc2cc(ccc2F)C(=O)OCC	139
+C(C)OC(=O)c1cc(c(F)cc1)Oc2cnccn2	842
+c1(-c2csc(n2)-c3cnccc3C)cc(C(=O)O)ccc1	6
+CC(C)(C)OC(CC(c1cccc(-n2ccnc2SCOC)c1)=O)=O	2403
+C1CN(CCN1)c2cc(ccc2)C(=O)OCC	386
+CC(C)(C)C(CN1C(C(CN(C2CCCCC2)c3ccc(C)cc13)NC(Nc4cc(ccc4)C(=O)OCC)=O)=O)=O	5556
+Clc1ccc2c(Nc3cccc(C(=O)OCC)c3)c(cnc2c1)C(=O)N	179
+c1c(F)c(c(cc1)F)C(=O)Nc2cccc(c2)C(OCC)=O	50
+COc1cccc(c1)C(CC#N)=O	5557
+Clc1ccc2c(n(cc2Sc3cc(ccc3)C(=O)OCC)-c4cn(CCC)nc4)c1	5558
+C(C)OC(=O)c1cccc(-c2ccc(N)c(Br)n2)c1	408
+C(C)OC(=O)c1cccc(c1)-c2ccc(N)cn2	13
+C[Si](C)(C)C#Cc1cccc(C(OCC)=O)c1	311
+FC(F)(F)c1c2c(c(n(Cc3c(cc(cc3F)F)F)n2)-c4cc(ccc4)C#Cc5cccc(C(=O)OCC)c5)ccc1	129
+O(C(=O)Nc1cccc(C(Cc2ccnc(Cl)n2)=O)c1)CC=C	1501
+C(c1cccc(c1)Nc2ncnc3c2[nH]cc3)(=O)O	6
+c1cc(ccc1Oc2cc(C(OCC)=O)ccc2)OCC	304
+c1cc(ccc1[N+]([O-])=O)Oc2cc(C(OCC)=O)ccc2	46
+C(C)OC(=O)c1cccc(c1)Sc2c3c([nH]c2C)c(F)c(Cl)cc3	1502
+Clc1ccc2c(Sc3cc(ccc3)C(=O)OCC)c([nH]c2c1)C	1502
+CC(C)(C)[Si](C)(C)OCCn1ncc(c1)-n2c3c(c(Sc4cccc(c4)C(OCC)=O)c2C)ccc(c3F)Cl	1865
+O=C(N)c1nccc(CO)c1	217
+C(O)c1ccnc2ccc(OC)cc12	217
+C(OCc1ncccc1)c2cc(ccc2)-n3cnc(C(=O)OCC)c3	2404
+C1CC1Nc2ccc(C(=O)OCC)cn2	70
+O=C(c1cnc(cc1)Cl)N2CCNCCC2	1858
+CC(C)(C)OC(=O)Nc1ncc(C(=O)OCC)cc1	718
+c1(CO)sc(NC(=O)C)nc1	1503
+c1(n(C)nc(CC)c1Cl)C(=O)OCC	5559
+CCc1c(Cl)nc(C(=O)O)[nH]1	6
+C1CN(CCC1(F)F)C(c2csc(C(OCC)=O)n2)=O	837
+n1cc(Br)n2c1cnc(C(=O)O)c2	6
+C1(N(CCC1(O)C#Cc2cccc(-n3c4CCN(Cc4c(n3)C(=O)N)c5ccncn5)c2)C)=O	314
+s1c(c(c(Br)c1C(=O)O)C#N)Br	6
+CC(C)NC(=O)c1nc(Cl)sc1C(=O)OCC	2405
+c12c(c(C(=O)O)sc1ncnc2O)C	6
+c1cc(ccc1)C(C)(C)NC(=O)c2cc3c(n(C(=O)OCC)nc3NC(=O)c4c([N+]([O-])=O)cccc4)s2	227
+C(CCCCCCCCC)CCC(C(=O)OCC)Oc1cc(ccc1)[N+]([O-])=O	289
+FC(F)(F)c1c2c(on1)c(CCC)c(cc2)OCCCOc3ccc4c(OC(CC)(C(OCC)=O)CC4)c3	8
+C(C)OC(C1=C(N=C(NC1c2ccc(cc2Cl)F)c3nccnc3)CBr)=O	1093
+C(C)OC(C=1C(NC(=NC=1CN2C(COCC2)C(=O)O)c3nccnc3)c4ccc(cc4Cl)F)=O	3366
+C(C)OC(C=1C(NC(c2sccn2)=NC=1CN3CCOC(C)C3C(=O)O)c4ccc(cc4Cl)F)=O	3366
+CN1c2nc3c(cc2C(C(C(=O)O)=C1)=O)cc(F)c(Cl)c3	108
+c1cc(ccc1Cl)CNC(C2=CN3c4c(cc(I)cc4C2=O)OCC3)=O	1267
+C1(=O)C(C(=O)OCC)=CN(c2cc3c(N(C(S3)=O)C)cc2)C(=O)N1C4c5cccc(c5CC4)OC	3367
+C(C)OC(=O)C=1C(=C(C(=O)N(C=1C)C)C)Cl	5560
+C1CN(CCN1c2c3OC(C(=O)OCC)=CC(=O)c3cc(OC)c2)CCOC	79
+O1c2c(C(=O)CC1C(OCC)=O)ccc(c2)O	3351
+C(C)OC(C=1Sc2ccc(cc2C(=O)C=1)OCC=C)=O	220
+C=CCOc1cc2c(SC(C(=O)O)=CC2=O)cc1	108
+O=C1N2C(C(CNCC2)NC(=O)c3ccccn3)=NC(=C1)c4ccncn4	215
+C(C)OC(N1CC(C=2N(C(=O)C=C(N=2)c3ccncn3)CC1)NC(=O)c4ccccn4)=O	2406
+C1N(C)c2c3N(C1)C4C(CN(C(=O)OCC)CC4)c3ccc2	15
+Clc1c2CCN(CCc2ccc1N)C(OCC)=O	0
+C1(CCc2ccc3c(c12)CCN(CC3)C(OCC)=O)O	74
+c12CCNCCc1ccc3CCC(OC)c23	215
+C1NCCc2ccsc2C1	215
+C(C)OC(N1Cc2c3cccc([N+]([O-])=O)c3n(C)c2CC1)=O	144
+C(C)OC(N1Cc2c3cc(C)ccc3n(CC4CO4)c2CC1)=O	339
+c1(cccc(OC)c1)NCC(Cn2c3CCN(Cc3c4cc(C)ccc24)C(=O)OCC)O	843
+C(C)OC(N1Cc2c3c(c(N)ccc3)n(C)c2CC1)=O	13
+C(C)OC(OCC)c1ncc(C(OCC)=O)c(n1)C	5561
+CCOC(OCC)C(NCc1cccc2cccnc12)C	249
+c12c3c(cccc3)ncc1nc(CCC)n2CCCC=O	598
+c1cc(ccc1C)NC(CC2(NC(Nc3cccc(c3)OC)=O)C(N(c4ccccc24)CC=O)=O)=O	598
+C(C)OC(OCC)CN1c2c(cccc2)C(CC(Nc3ccc(cc3)C)=O)(NC(Nc4cccc(c4)OC)=O)C1=O	33
+O(CC)C(OCC)CNCCCCCCNCc1ccc(cc1)C=C	42
+c1ccccc1COCC(CC=C)OCC=O	598
+ClC(Cl)=CCOc1cc(CC)c(c(c1)CC)OCCCCOCC=O	598
+Clc1cc(cc(Cl)c1OCc2ccccc2Cl)OCC=O	598
+CCOC(OCC)Cn1c(Nc2c(C)c(cc([N+](=O)[O-])c2)C)cc(-c3cnccc3)n1	781
+C[Si](C)(C)C#Cc1ncc(C(OCC)OCC)cc1	961
+O(CC)C(OCC)c1ncc(c(C)n1)C(O)=O	6
+CN(C)CCNC(=O)Cc1[nH]cc(C)c1C(=O)OCC	9
+c1(-c2ncccc2)cc(c[nH]1)C(=O)OCC	1866
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2nc(ncc2C(OCC)=O)Cl	40
+C(C)OC(c1c(nc(Cl)nc1)Nc2cccc3n(ccc23)C)=O	73
+C(Nc1nc(Cl)ncc1C(=O)OCC)c2cnn(C)c2	40
+C(C)OC(c1c(nc(Cl)nc1)NC(C)c2ncc(cc2)F)=O	40
+CC(C)(C)CCN1N=C(C(=C(C(=O)OCC)C1=O)O)c2sccc2	3368
+CC(C)(CCN1N=C(c2sccc2)C(=C(C(=O)OCC)C1=O)O)CC	3368
+c1(N)c(cc(c(O)c1C)C(=O)O)C#N	6
+c1(cnc2cc(ccc2c1Cl)F)C(=O)OCC	120
+Oc1c(cnc2ccc(C)nc12)C(=O)O	6
+C(C)OC(c1c([nH]c(-c2cc(ncc2)C=Cc3cccnc3)c1)N)=O	2407
+n1c(C=Cc2cccnc2)cc(-c3cc4c(ncnc4[nH]3)O)cc1	5562
+c12c(c(I)ccc1)ncc(c2O)C(=O)O	6
+Cc1cc(cc(C)c1Cl)OCCCc2c(C(=O)OCC)[nH]c3c(Br)cccc23	20
+C(C)OC(=O)c1c(N(C)CC)nc(cc1C)Cl	43
+c1ccccc1C=Nc2cc(c(cc2)O)C(=O)OCC	457
+C(C)OC(c1cc(ccc1Br)O)=O	5
+c1c(-c2ccc(cc2C(OCC)=O)NC(C)=O)c(ccc1)Br	11
+C(c1c(cccc1C)O)(=O)O	6
+n1c(NC(C)c2ncc(cc2)F)c(cnc1Cl)C(=O)O	6
+n1c(Nc2cccc3n(ccc23)C)c(cnc1Cl)C(=O)O	6
+CCc1c(C(=O)O)con1	6
+C1CC1COc2c(ccc(F)c2)-c3ncnc4c(C(=O)OCC)c([nH]c34)C	3369
+C(C)OC(c1c2c(c(ncn2)Cl)[nH]c1C)=O	1268
+Clc1cc(ccc1)Nc2ncc(c3c2ccn3CC)C(=O)OCC	1504
+CC(C)(C)OC(=O)Nc1sc2ccc(nc2c1C(OCC)=O)Cl	2408
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3cc4c(c(n[nH]4)C(=O)OCC)cc3	1505
+C(O)c1c2ccc(cc2oc1)F	5563
+C1COCCN1C(=O)c2n3c(c(C(=O)OCC)c2C)cccn3	147
+CN(C)C=CC(=O)c1cc(c[nH]1)C(=O)OCC	2409
+CCOC(c1cc([nH]c1)-c2n[nH]c3c2cccn3)=O	2410
+C1CC1COc2c(cc(C(=O)C)cc2)-c3c4[nH]cc(C(OCC)=O)c4ncn3	3369
+CCOC(c1c(c(Br)[nH]c1)C)=O	653
+c1c(C)ccc(-c2cc(nn2-c3cccnc3)C(=O)O)n1	6
+c1c(C)ccc(-c2cc(nn2-c3ncccc3)C(=O)O)n1	6
+n1c(cc(C)n1CCCC)C(=O)N	314
+c1c(C(=O)C)ncnc1Cl	1867
+c1c(c(N)c(C)c(F)c1C(=O)O)F	6
+c1ccccc1C(Nc2c(O)cc(c([N+](=O)[O-])c2)C(=O)OCC)=O	50
+O=S1(=O)CCCC(C1)c2c3cc(cc(c3[nH]c2)C(OCC)=O)Br	5564
+CC(C)C1CC(CCS1)c2c3cc(cc(c3[nH]c2)C(OCC)=O)Br	5565
+c1cc(ccc1COc2cc(C(OCC)=O)c(-c3cc(OC)ccc3F)cc2)OC	139
+C(C)OC(c1cc(ccc1-c2cc(OC)ccc2F)O)=O	11
+c1ccccc1COc2ccc(O)c(c2)C(=O)OCC	139
+CC(C)(C)OC(=O)N1CC2CN(CC2C1)c3cc(C(OCC)=O)cnc3	244
+[N+]([O-])(=O)c1cc(c(-n2c(C)cc(n2)C(=O)OCC)cc1)C(=O)N3Cc4ccccc4CC3CO	30
+c12c(c(ncn1)O)cc(CC)s2	1868
+c1cc(cn2C(c3c(N=c12)sc(CC)c3)=O)C(=O)N	3370
+Cc1c(cc2CCCCC(c2n1)OC(C)=O)C(=O)OCC	174
+C(C)OC(c1cc2n(c1)ncc(C#N)c2Cl)=O	2411
+c1c2c(cccc2n(c1C(=O)OCC)Cc3ccc(c(c3)Cl)Cl)[N+]([O-])=O	962
+C(C)OC(c1cc2c(cc(C)cc2OCC3CO3)[nH]1)=O	72
+CC(C)(C)NCC(O)COc1cc(cc2c1cc(C(OCC)=O)[nH]2)C	122
+C(C)OC(c1cc2c(ccc(c2)C(=O)N)[nH]1)=O	216
+C1CC1(C(=O)Nc2cc3cc(C(=O)OCC)[nH]c3cc2)c4cc5OCOc5cc4	33
+c1cc(ccc1)-n2c3ccc(cc3cc2C(=O)OCC)[N+]([O-])=O	3371
+c1(cc2c(ccc([N+]([O-])=O)c2)nc1O)C(=O)O	6
+c1c2c(ccc(c2)C(=O)N)[nH]c1C(=O)O	6
+C1CCC1COc2cccc3[nH]c(C(OCC)=O)cc23	126
+c1(c2cc(C(=O)O)[nH]c2ccc1)OCc3c4ccc(cc4oc3)F	6
+c1(c2cc(C(=O)O)[nH]c2ccc1)OCc3cocc3	6
+c1(C(=O)O)cc2c(cncc2Br)nc1	6
+FC1(F)CCN(CC1)c2cncc3ncc(cc23)C(=O)OCC	3372
+C(C)OC(c1n(c2c(c(Cl)ccc2N)c1)COC)=O	3373
+O=S(=O)(c1cccs1)Nc2c3n(COC)c(cc3ccc2)C(=O)OCC	2412
+CC(C)(C)c1ccc(cc1)Cn2c3c(cc2C(OCC)=O)cc(cc3)OC	190
+c12[nH]c(cc1cc(cc2N)OCCOC)C(=O)OCC	13
+c12cc(n(c1c(cc(c2)F)Br)C)C(=O)OCC	144
+c1c2cc(ccc2[nH]c1C(=O)O)OCCSC	6
+C(C)OC(c1cc2cccc([N+]([O-])=O)c2n1COC)=O	3374
+C(C)OC(c1cc2c(n1COC)c(N)ccc2)=O	13
+C(C)OC(c1cc2n(c1)ncc(C(=O)N)c2Cl)=O	1869
+CC1(C)C(C)(CCC1Nc2c3n(ncc2C(=O)N)cc(c3)C(OCC)=O)N	719
+Nc1c(C)c(c(cc1)C(=O)O)F	6
+c1([N+]([O-])=O)ccc(CO)nc1	194
+[N-]=[N+]=Nc1c(C)c(c(cc1)C(=O)OCC)F	1870
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(-c4ccccc4)n5nc(ccc5n3)C(=O)OCC	2413
+C(C)OC(c1cccc(F)c1CBr)=O	29
+CCOC(=O)c1cccc(F)c1COc2cccc(F)c2	22
+Cc1cccc(C)c1COc2c(C)c(ccc2)C(=O)OCC	139
+n1cccc(-n2cc(c(Cl)n2)C(=O)O)c1	6
+n1n2c(sc1CC)nc(C(=O)O)c2	6
+C(C)OC(c1c(COC)c2n(c1)ncc(C#N)c2Cl)=O	5566
+C(C)OC(c1cnc(c2c(COc3cc(ccc3C)NC(c4ccc(NCCO)c(Cl)c4)=O)csc12)N)=O	1871
+c1n(C)c2c(cnc(Cl)c2n1)C(=O)O	6
+Clc1cc(ccc1)Nc2ncc(c3c2ncn3C)C(=O)OCC	3375
+c1(cc(ccc1)Nc2ncc(c3c2ncn3C)C(=O)OCC)Br	3375
+c1(C(=O)O)cnc(c(C)c1)Nc2ccc(C)nc2	6
+c1(NCCO)c(Cl)cc(C(Nc2cc(c(C)cc2)OCc3c4c(sc3)c(cnc4N)C(=O)O)=O)cc1	6
+CCOC(c1c(c2CC(CCc2nc1)O)O)=O	100
+C(C)OC(c1cc2c(cncc2Br)nc1)=O	3376
+c1cc(cc2ncc(cc12)C(=O)OCC)NC(c3c(cccc3)Br)=O	50
+c1cc2c(cc1I)ncc(C(=O)OCC)n2	3377
+C(C)OC(c1cnc2c(ccc(N)c2)n1)=O	0
+NNC(=O)c1cncc(-c2cnc(NC(NCC)=O)cc2Br)c1	1872
+C(=O)(c1cnn(-c2[nH]c3cc(c(Cl)cc3n2)Sc4cc(C)ccc4)c1)O	6
+C[Si](C)(C)CCOCN1C(c2c(N=C1n3ncc(C(OCC)=O)c3)ccc([N+](=O)[O-])c2)=O	5567
+C(=O)(c1cnn(C)c1)O	6
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)OCC)n2	187
+C1COCCN1c2nn3cc(ccc3n2)NC(c4n(ncc4C(=O)OCC)C)=O	510
+CN(C)c1nn2c(n1)cc(cc2)NC(=O)c3c(cnn3C)C(=O)OCC	187
+c1(cc(ccc1)OC)-c2nc3n(ccc(c3)NC(c4c(cnn4C)C(=O)OCC)=O)n2	187
+c1cc(ccc1)-c2nc(CCNC(=O)c3n(C)ncc3C(OCC)=O)c(C)o2	81
+FC(F)(F)c1cc(ccc1)-c2nc(on2)Cn3cc(C(=O)OCC)cn3	2383
+c1(cccc(-c2csc(Cn3ncc(c3)C(=O)OCC)n2)c1)Br	963
+C(C)OC(c1cnn(CC(N)=S)c1)=O	3378
+c1c2c(ccc1O)c(cs2)C(=O)OCC	5
+c1(nccc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)n1)N	511
+c1(cc(Oc2ccccc2[N+]([O-])=O)cc3n(C)c(cc13)C(=O)OCC)Cl	46
+O=S(=O)(Nc1ccc(Cl)c2cc(n(COC)c12)C(OCC)=O)c3cccs3	2412
+c1cc(ccc1Oc2ccc(c3cc(C(=O)OCC)n(C)c23)Cl)[N+]([O-])=O	551
+c1c2n(C)c(cc2c(cc1)O)C(=O)O	6
+c1cc(ccc1C(c2n(CC)c(C(OCC)=O)cc2C)=O)CCl	1873
+CC(C)(C)NC(=O)c1nnc2cnccn12	1506
+O=Cc1ccc2ncc(n2c1)C(=O)OCC	5568
+CCc1cccc(CC)c1NC(=O)N2Cc3[nH]nc(c3C2)C(OCC)=O	326
+c1cc(ccc1-c2nc(C(=O)OCC)n3ccccc23)F	5569
+c1c(cnc(c1)NC(c2nc(CC)cc(Br)c2)=O)F	5570
+C(C)OC(c1nc2n(cc(-c3[nH]nnc3)cc2)c1)=O	3235
+C1CN(CCN1)c2nn3cc(C(=O)OCC)nc3cc2	212
+CC(C)NC(c1[nH]c(C(=O)OCC)nc1)=O	312
+c1(nc(ccc1C)Cl)C(Nc2c(c(ncc2C)C(=O)OCC)C)=O	187
+C(C)OC(c1ncc(C)c(N)c1C)=O	0
+C(C)OC(=O)c1nc(Cl)c(CC)[nH]1	844
+n1n(C)c(CC)cc1C(=O)O	6
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5cc(C(OCC)=O)nn5ccc4	56
+C1CC1c2nc(Nc3c(nnc(Cl)c3)C(OCC)=O)ccc2	845
+CC(C)(O)c1cccc(n1)Nc2c(nnc(c2)Cl)C(OCC)=O	845
+CC(C)(c1nc(ccc1)Nc2c(nnc(c2)Cl)C(OCC)=O)C#N	845
+CC(C)c1c(nc(cc1)Nc2c(nnc(c2)Cl)C(OCC)=O)OC	845
+CN(C)c1c(ccc(Nc2c(nnc(Cl)c2)C(OCC)=O)n1)C	845
+FC(F)(F)c1cccc(Nc2c(nnc(c2)Cl)C(OCC)=O)n1	845
+c1(nc(Nc2c(nnc(Cl)c2)C(=O)OCC)cc(C)c1)C	845
+c1ccc(nc1Nc2cc(nnc2C(=O)OCC)Cl)OCC	845
+c1c(c(cc(-c2noc(C(=O)OCC)c2)c1)C)OCCc3cc4C(=O)N(c5c(N(c4nc3)CC)nccc5)C	126
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(c3sc(cc3)C(=O)OCC)C)C	20
+C(CCCCCCCCCC(Nc1sc(C(=O)OCC)cc1)=O)CCCCC	2414
+C(C)OC(c1sc(cc1)N)=O	2415
+c1(c2cc([N+]([O-])=O)ccc2[nH]n1)OC	5571
+CC(C)(O)Cn1c(COCC)nc2c1c3ccccc3nc2	5572
+c1cc(ccc1C)C=C(OCC)C(OCC)=O	5573
+C(C)OCc1n(CC#C)c2c(n1)c(nc3c2cccc3)Cl	5574
+C(C)OCc1n(c2c(n1)c(nc3c2cccc3)Cl)Cc4cc(C)no4	5575
+C(C)OCc1n(c2c3c(cccc3)nc(N)c2n1)Cc4cc(C)no4	3379
+c1ccccc1NC(NCCCNn2c3c(c(N)nc4c3cccc4)nc2COCC)=O	282
+C(C)OCc1n(NCCCNC(NCC)=O)c2c(c(N)nc3CCCCc23)n1	5576
+CN(C)CC=CC(Nc1cc2c(ncnc2cn1)Nc3ccc(Cl)c(c3)C#C)=O	5577
+c1(cc(cc(C)c1OCOCCOC)C=CC=CC(OCC)=O)C	5578
+CCOP(OCC)(=O)CCCN1C(=O)C(=C(O)c2ncc(cc12)Cc3ccc(cc3)F)C(OCC)=O	3380
+CC(C)(C)OC(N(C1CCN(CC1)Cc2ccccc2)CCP(OCC)(OCC)=O)=O	23
+O(CC)P(OCC)(=O)CCc1ccnc(C=2Sc3c(ccc(Cl)c3)C(N=2)=O)c1	2416
+O(CC)P(OCC)(COCCCONc1nc(nc(Cl)c1NC=O)NC=O)=O	3381
+C(C)OP(OCC)(=O)COCCCOn1c2c(nc1)c(N)nc(N)n2	5579
+C(C)OP(OCC)(=O)COCCCOn1c2c(c(N)nc(NC=O)n2)nc1	1095
+C(COn1cnc2c(ncnc12)N)OCP(=O)(OCC)O	228
+C(C)OP(OCC)(=O)COCCOn1c2c(nc1)c(ncn2)N	1095
+c1ccccc1COC(CC(C)(C)c2c(ccc(P(OCC)(=O)CP(OCC)(OCC)=O)c2)O)=O	283
+C1CC(CCN1Cc2ccccc2)=Cc3ccc(cc3)C#N	846
+C(C)OP(OCC)(c1cc2c(cc1)c(C(N)=O)nn2CC(=O)N3CC(CC3C(NCc4c(F)c(ccc4)Cl)=O)F)=O	247
+CCOP(OCC)(c1cc(-c2sccc2P(OCC)(OCC)=O)sc1)=O	3382
+O=C(OCC)C(C)=Cc1cc(Br)cc2CCCN(C)c12	1096
+O=C(OCC)C(C)=Cc1c(ccc(c1)Br)N2C(C)CCC2	1096
+c1cc(ccc1C=C(C)C(OCC)=O)C	1096
+c1cc(ccc1C=C(C)C(OCC)=O)CCc2n3cncc3ccc2	1096
+c1cc(ccc1CC2=C(n3c(ncn3)N(C2=O)C4CCC(CC4)=CC(=O)OCC)CCC)-c5ccccc5C#N	1874
+CC(C)(C)OC(=O)NC(CCc1ccc(cc1)OCCCCCCC)(C)C=CC(=O)OCC	1875
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2c(C=1c3ccccc3)cc(C=CC(=O)OCC)cc2)=O	1097
+CC(C)(C)[Si](C)(C)OCC1C(CC)CC(C1)=CC(OCC)=O	1874
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)C=CC(=O)OCC	1875
+CC(C)N1CCCc2cc(ccc12)C(C)=CC(=O)OCC	3383
+CC(C)Oc1nn(c(C=CC(=O)OCC)c1)Cc2ccc(cc2Cl)Cl	2417
+C1C(C)CC(CC1=CC(OCC)=O)C	1874
+FC(F)(F)c1ccc(cc1)CCC(OCC)=O	5580
+FC(F)(F)c1ccc(nc1)-n2cc(C=CC(=O)OCC)c(CCC)n2	3384
+FC(F)(F)c1cnc(cc1)-n2nc(C(C)C)c(c2)C=CC(=O)OCC	3384
+O(CC)C(C=Cc1c2c(nn(C)c2)c(F)cc1)=O	1097
+O(CC)C(C=Cc1ccc(cc1F)OC)=O	1097
+COc1c(OC)c(cc2cc(ccc12)C=CC(OCC)=O)OC	1097
+c1ccccc1CCC(=CC(=O)OCC)C	1874
+c1cc(ccc1)COc2ccc(C=CC(=O)OCC)cc2OC	1097
+c1ccccc1-c2cn(Cc3cc4c(cc3)cc(cc4)OCc5ccccc5)cc2C=CC(OCC)=O	3385
+c1cc(ccc1)S(=O)(=O)N2CCN(C(OCc3ccccc3)=O)CC2CCC=CC(=O)OCC	1875
+c1cc(ccc1F)C(c2ccc(cc2)F)=CC(OCC)=O	5581
+C1CC(CCC1)(c2ccc(cc2)F)C=CC(OCC)=O	1875
+c1cc(ccc1Cn2cc(-c3ccccc3)c(C=CC(OCC)=O)c2)OCc4ccccc4	3385
+c1ccccc1C(CC)Oc2c(cc(C(C)=CC(=O)OCC)cc2)[N+]([O-])=O	3383
+c1ccccc1CCOc2ccc(Cl)cc2C=CC(OCC)=O	1097
+c1ccccc1COc2cc3c(c(nn3C4OCCCC4)C=CC(=O)OCC)cc2	2417
+c1ccccc1Cn2nc(cc2C=CC(=O)OCC)OCCC	2417
+O(CC)P(OCC)(CCCN)=O	18
+O(CC)P(OCC)(CCC=1C=C[N+](C(=C=[N-])C=1)=O)=O	1269
+c1n(c2c(c(ncn2)N)n1)OC(COCP(=O)(OCC)O)CO	228
+C(C)OP(OCC)(=O)COCCOn1c2ncnc(Cl)c2nc1	1876
+CC(C)(C)OC(=O)NC1CCC(CC=Cc2c3c(ccc(OC)c3F)ncc2Cl)OC1	3386
+c1cc(ccc1CP(OCC)(=O)O)OCC2(CCCCC2)C	228
+n1(nc(c2ccc(P(=O)(O)OCC)cc12)C(=O)N)CC(N3CC(F)CC3C(NCc4cccc(Cl)c4F)=O)=O	228
+C(C)Oc1cc(cc(OCC)c1-c2ccc(cc2)F)CN3CCC4(CC3)CC(=O)N(c5ccc(cc5)C#N)C4	654
+O(CC)c1cc(cc(OCC)c1-n2cccc2)CO	217
+O=S(=O)(CC)c1ccccc1C(=O)C	720
+C(Sc1ccccc1CO)C	98
+CC[Si](CC)(CC)OC(CC)(CC)CCC=C(CC)c1cc(Br)cs1	655
+[N+]([O-])(c1cc(cc(c1N)CC)[N+]([O-])=O)=O	5582
+CC(C)(C)OC(N1CCC(CC1)COC2CC2)=O	3387
+O=Cc1cc(CC)cc(C(=O)O)c1	5583
+C1CC1Oc2c(cc(cc2)Br)Cl	3387
+c1ccccc1-c2c(CC)nc3c(c2Cl)cc(F)cc3	5584
+C1N(CC1N2CC(NCC2)=O)Cc3sc4nc(-n5c6ccccc6nc5CC)nc(N7CCOCC7)c4n3	1098
+C1N(CC1(C)O)CCc2nc3c(N4CCOCC4)nc(-n5c6c(nc5CC)cccc6)nc3n2C	1098
+C(C)c1c(cccc1)-c2c3n(C)c(Cl)nc3ccc2	1088
+c1(nnc(Cl)c(CC)c1C)NN	599
+c1c(c(c([N+]([O-])=O)cc1)NC(C)=O)CC	31
+C(C)c1c(cc(Oc2c(cc(C(N3CC(=O)NCC3)=O)cc2)F)c(c1)OC)F	3388
+C(C)c1c(cc(Oc2c(F)cc(C(=O)O)cc2)c(c1)OC)F	5585
+C(C)c1c(cc(c(O)c1)Oc2c(cc(C(N3CC(=O)NCC3)=O)cc2)F)F	5
+O=C1CN(C(=O)c2cc(c(cc2)Oc3cc(F)c(CC)cc3OC)F)CCN1C	782
+C(C)c1c(cccc1)-c2cccc3nc(n(C)c23)Nc4c(C)cc(cc4OC)Br	1494
+C(C)c1cc(Br)cc([N+]([O-])=O)c1	480
+Nc1cc(cc(CC)c1)Br	0
+C(C)c1cc(cc(CC)c1-c2cc(COc3ccc4c(OCC4CC(O)=O)c3)ccc2)OCCCS(=O)(=O)C	4
+C(C)c1ccc(c(c1)F)CNC(CC#N)=O	248
+C1COCCN1c2c(F)ccc(c2)CC	79
+C(C)c1ccc(CN)c(c1)F	107
+c1cc(ccc1OCC(c2ncc(cc2)CC)O)C=O	8
+FC(F)(F)c1ccc(cn1)CCn2c3c(CN(CC3)C)c4c2ccc(CC)c4	3389
+C1C(C(CN(C(=O)Nc2cccc(CC)c2)C1)C(OCC)=O)=O	326
+Cc1c(cccc1)-c2c3c(nc(Cl)n2)CCN(C3)C(Nc4cc(CC)ccc4)=O	326
+NC(=S)Nc1cccc(CC)c1	1099
+FC(F)(F)Oc1ccc(cc1)-n2nc(-c3ccc(cc3)CCCNC(=O)NC(Nc4ccccc4CC)=S)nc2	3390
+c12n(c(nn1)CC)-c3c(cc(OC)cc3)NC2=O	5586
+O(C(CCC1(c2ccc(OC)cc2N(C1=O)c3c(cccc3)F)NC(=O)c4cc5c(cn4)cccc5)=O)C	2418
+C1CN(CCN1CCCCC23c4c(NC2=O)cccc4CCC3)C5c6c(cccc6)CCCC5	28
+C(C12C(=O)Nc3cccc(CCC1)c23)CCCN4Cc5c(CC4)c6cc(OC)ccc6[nH]5	28
+C(C12C(=O)Nc3cccc(CCC1)c23)CCCN4Cc5c(CC4)c6c(ccc(O)c6)[nH]5	5
+C(C1=C(N2C(=O)C(NC(=O)Cc3c(cccc3)CN)C2SC1)C(O)=O)(Sc4nnn[nH]4)CC(=O)O	18
+c1([N+]([O-])=O)ccc2c(C(=CC(C)(COC)O2)C(=NC#N)NC)c1	5587
+C1CC1S(=O)(=O)NC(C2(CC2C=C)NC(=O)C3CC(O)CC3C(N(C)CCCCC=C)=O)=O	344
+C(C1C(CC(O)C1)C(=O)N(CCCCC=C)C)(=O)NC2(CC2C=C)C(=O)O	3
+C(NC1(CC1C=C)C(=O)OCC)(C2CC(CC2C(=O)N(CCCCC=C)C)OCOCC)=O	433
+C(O)C1CC(CC1CC)=O	86
+C1CCCC(C1CBr)C(NCC#N)=O	552
+O=S(=O)(N)OCC1CC(CC1OC(C)=O)n2c3ncnc(NC4c5ccccc5CC4)c3cc2	2419
+C(C)(=O)NC1CC(C(=O)N)CCC1	327
+CC(C)(C)OC(NC1CCC(CC1O)C(=O)OC)=O	3391
+CC(C)(C)OC(=O)n1cc(-c2c(OCC3C(C3)c4ncc(cc4)OC)nc(C)nc2)cn1	2420
+C1C(CCC(=C1)CCCCC)CO	21
+C1C(CO)CCC1CC	95
+C1CC1C=C(C(N2CCCC2Cn3c4c(c(n3)-c5c(F)cc(cc5)Oc6cccc(F)c6F)c(N)ncn4)=O)C#N	847
+C12CC3CC(C1)CC(C2)(C3)NC(c4ccc(nc4SCCC)N5CCCC(C5)CC(OC)=O)=O	43
+FC(F)(F)Oc1ccc(cc1)CCNc2cc(N3CC(CCC3)CC(=O)OCC)nc(n2)OC	54
+C1CC1C(N2CCC(C2)CC(OCC)=O)=O	58
+c1c(-c2cc(F)c(cc2)C#N)nc(N)nc1N3CC(C(=O)O)CCC3	198
+C1(CCC(C(=O)O)CN1c2cc(-c3cc(F)c(cc3)C#N)nc(N)n2)C	5588
+CC(C)(C)OC(=O)N1C(C)CCC(C1)C(=O)OC	23
+FC(F)(F)c1nc(-c2cccc(C(=O)N3CC(N(c4ccc(C#N)cn4)CC3)C(=O)OC)c2)no1	30
+O=S(=O)(C)NCC1COCc2n1c3c(c(nc4c3cccc4)N)n2	111
+C(OCC)(Oc1cc(C)c2c(B(OC2CC(=O)O)O)c1)=O	644
+Oc1nc2c(C)cc3c(c2cc1)OC(CCCl)C3	1507
+CN(C)CCOCCCC1Sc2c(C)c(OCOC)c(c(C)c2O1)C	481
+c1cc2c(CCC2C(=O)O)cc1F	270
+CC(C)(C)OC(NC1Cc2ccccc2C1Cc3cc(Cl)c(cc3)Cl)=O	37
+C(C1c2ccccc2C(=O)N1)COC	21
+c1cc(ccc1S(=O)(=O)CCC2NC(c3ccccc23)=O)C	5589
+C(C1c2ccccc2C(=O)N1)CO	88
+c12c(ncnc1nc[nH]2)NC(C)C=3N=C4N(C(=O)C=3c5cc(F)ccc5)C(=CS4)C	3392
+c1(cc(F)ccc1)C=2C(N3C(=CSC3=NC=2C(C)Nc4ccnc5nc[nH]c45)C)=O	5590
+c1c(Cl)c(ccc1)C2=C(C(N=[N+]=[N-])C)N=C3N(C(C)=CS3)C2=O	1100
+[N-]=[N+]=NC(C)C=1N=C2N(C(=O)C=1c3cc(F)ccc3)C(=CS2)C	1100
+C12C(CCCC1)CC(CC2)(O)C#CCC=C	5591
+C1CC(CCC12CC2)COc3c(C(=O)OCC=C)cnc(Cl)n3	5592
+C1CCCCC1n2c(CCCOc3ccc4N(C(=O)C=Cc4c3)CC=C)nnn2	5593
+C1CCCN1c2cc(C)nc3c2ccc(OCC=C)c3	220
+C1COCCN1C(C)(C)C(c2ccc(cc2)SCC=C)=O	5594
+CC(C)(C)Cc1coc2cc(OCC=C)ccc12	220
+CC(C)(C)OC(=O)N1CCN(c2c(F)cc3c(N(C=C(C(OCC=C)=O)C3=O)C4CC4)c2OC)CC1C	5595
+CC(C)(C)OC(N1CCN(CC=C)C(=O)C1)=O	3393
+CC(C)(C)OC(N1CCC(CC1)(C(=O)OC)CC=C)=O	5596
+CC(C)(C)OC(N1CCC(C(O)C1)c2ccc(cc2)OCC=C)=O	220
+CC(C)(C)OC(NC(COCC=C)C(O)=O)=O	848
+CC(C)(C)[Si](C)(C)OCC1OC(N2C=C(C(NC2=O)=N)I)CC1OCC=C	848
+CC(C)(C)[Si](C)(C)OCc1c2N(CCC(c2ccc1)OCC=C)CC	848
+CC(C)(C)c1c(OC(C(C)(C)C)=O)ccc(c1)OCC=C	220
+CC(C)(C)c1cc(cc(C(C)(C)C)c1OC(C)=O)OCC=C	220
+CC(C)CC(C(C(=O)OC)O)C(=O)OCC=C	5597
+CC(C)CCC(COCC=C)C(C)O	848
+CC1(C)CC(CC(C)(C)N1CC=C)N2C(=O)c3ccccc3C2=O	1863
+CN(C)C=NS(=O)(=O)c1c(Cl)ccc(C(=O)c2ccc(OCC=C)c(Cl)c2Cl)c1	220
+C(CN(C)c1ccccc1CC=C)=C	2421
+COc1cccc(c1)C2(CC)C(N(CCCC2)CC=C)=O	3393
+Cc1cc(cc(C)c1Oc2nc(C)cc(NC(CC)CC)c2NCC=C)C	5598
+Cc1ccccc1-c2c(Cl)cccc2OCC=C	220
+Clc1c2c(ccc(c2)OCC=C)ccn1	220
+Clc1cc(c(C(=O)OC)cc1)OCC=C	220
+FC(F)(F)C(N1C(Cc2cc(c(cc2C(C)C1)Br)OCC=C)C)=O	220
+FC(F)(F)C(=O)NC(COCC=C)c1ccccc1	848
+FC(F)(F)C(=O)N1CC(C)c2c(cc(OCC=C)c(Br)c2)CC1	220
+FC(F)(F)C=1N(C(N(c2ccc(c(c2)C(=O)OC(C)(C)C(OCC)=O)Cl)C(=O)C=1)=O)CC=C	5599
+FC(F)(F)c1c(c(nc(N(CC=C)Cc2ccccn2)c1)Cl)Cl	5600
+CN(c1cc(ccc1)O)CC=C	2421
+c1([N+]([O-])=O)cc(C#N)ccc1NCC=C	5601
+O=Cc1cc(c(cc1Cl)OCC=C)Br	220
+O=S(=O)(N1CCN(CC1)C)c2cc(-c3nc(c4c(c(CCC)nn4C)n3)O)c(cc2)OCC=C	220
+c1c(cc(C(=O)O)cc1N2CCCC2=O)OCC=C	220
+c1(C=O)cc(c(cc1)OCC=C)Cl	220
+c1([N+]([O-])=O)cc(OCC=C)c(cc1)C#N	220
+c1(c2cccc(c2nn1CC=C)F)-c3ccc(OC)cc3OC	5602
+O(CC=C)c1c(Cl)cccc1	220
+c1(cc(Cl)c(cc1Br)OCC=C)F	220
+c12c(ccc(OCC=C)c1)cc(cc2)OC	220
+C(Cn1c(nc2c1cccc2)-c3c([N+]([O-])=O)c(Cl)ccc3)=C	5603
+C1CN(CCN1CC=C)c2nc3c(n2)ccccc3	1863
+c12c(n(CC=C)c(c1)C)c(nc(c2)C#N)N3Cc4c(cccc4)CC3	5604
+c1cc(c2c(c(C)co2)c1OCC=C)C(=O)c3sccc3	220
+c1(C)cc(cc(C)c1)OCC=C	220
+c1c(cccc1OC(=O)C)OCC=C	220
+c1cc(c(cc1I)C=O)OCC=C	220
+c12cc(ccc1[nH]cc2)OCC=C	220
+c1c2cccnc2ccc1OCC=C	220
+c1cc(ccc1)-c2c(-c3c(ccc(c3)F)OCC=C)cccc2	220
+c1ccccc1CCC(O)CC=C	5605
+c1cc(ccc1)COC(N2c3c(OC(COCC=C)C2)cccc3)=O	848
+c1cc(ccc1-c2ccccc2C)OCC=C	220
+c1cc(ccc1Br)CC=C	3394
+c1(C=O)ccc(c(c1)CC=C)O	5606
+c1cc(ccc1OCC=C)CCC(=O)OC	220
+c1cc(ccc1CCCBr)C(OC)=O	5607
+c1cc(ccc1Cc2cc(Br)ccc2Cl)CCOCC=C	848
+c1cc(ccc1CCc2oc3cccc(OCC=C)c3c2C)OC	220
+c1cc(ccc1COC(C)C(Cc2ccccc2)C(Cc3ccccc3)OCC=C)OC	848
+c1cc(ccc1CC=C)Cl	3394
+c1cc(ccc1Oc2ccc(cc2)C)OCC=C	220
+c1cccc(-c2c(Cl)cccc2OCC=C)c1Cl	220
+c1ccccc1C2C(C)N(C(=O)C(CC=C)CCCC)C(=O)O2	5608
+c1cc(ccc1)CCOCC=C	848
+c1ccccc1COc2cc(ccc2)C=CCOCC=C	5609
+c1cc(ccc1)N(CC=C)CC	2421
+c1cnn(c1C(=O)c2c(Cl)c(c(OCC=C)cc2)Cl)C	220
+o1c2cccc(c2c(c1CC)C)OCC=C	220
+C(CC(CC=C)(c1ccc(cc1)C(OC)=O)CO)=C	272
+C(C=C)C(CC=C)OCCCCCCCCCCOc1ccc(cc1)C(=O)O	1
+c1cc(ccc1C=CS(=O)(=O)Nc2c(S(=O)(=O)N(CC=C)CC=C)cncc2)Br	5610
+c1cc(ccc1)S(=O)(=O)CC=CC=CC(=O)OC	5611
+CN(CCNC(=O)c1ccccc1O)C(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC	93
+C(C=CCC=CCCCCC)C=CCC=CCCCCN	18
+C(C=CCC=CCCCCC)C=CCC=CCCCCN=[N+]=[N-]	600
+c1cc(ccc1S(=O)(=O)NCC=CCCCC(O)=O)Cl	2422
+C(CCCc1ccc(F)c(Br)c1)(OC)=O	783
+c1ccc(CO)cc1CCC(OC)=O	159
+C(OC)CCCc1cc(ccc1)Br	374
+C(=O)(O)C=Cc1cc2c(nccc2)cc1[N+]([O-])=O	127
+c1c(Oc2cnc(C)cc2)c(cc(c1)Nc3c4cc(ccc4ncn3)C=CCNC(C)=O)Cl	1475
+C(c1ccc(N)cc1C)CC(OC)=O	159
+C(C=Cc1ccc(nc1)N(C(C)=O)C)(OC)=O	3395
+C(c1ccc(cc1C)CO)CC(OC)=O	159
+c1(cc(ccc1C=CC(OC)=O)F)OC(CC)C	313
+c1cc(ccc1OCCN2CCOCC2)C=CC(CC(C=Cc3cc4[nH]ccc4cc3)=O)=O	964
+C(=O)(O)C=Cc1ccc2cc[nH]c2c1	127
+CCOC(=O)c1c2c(Cl)cccn2c(CCOCC)c1	5612
+Fc1c(ccc(-c2nn3c(Cc4ccc5nccnc5c4)cnc3nc2)c1)Br	5613
+C(C(Cl)Cc1cc(ccc1OC)F)=O	5614
+c12cc(OC)cc(OC)c1nccc2	5615
+c12c(CCCC1N(C)Cc3nc4cccc(-n5ccnc5)c4[nH]3)cccn2	5616
+c1cc(ccc1C)S(=O)(=O)N2CCOc3cc(ccc3OCC2)-n4cncc4	2423
+c1cc(ccc1-n2cncc2)NC(=O)C3N(CCN(c4cc(Cl)c(cc4)Cl)C3)CC	5617
+c1cc(ccc1-n2ccnc2)OC(C)CCN3CCOCC3	2423
+c1cc(ccc1-n2cncc2)OC3CCCN(Cc4ccc5c(c4)OCO5)C3	2423
+n1ccnc2c(nc(cc12)Cl)Cl	5618
+c1ccc2nccnc2c1[N+]([O-])=O	2424
+c1cc(C)cc2nccnc12	2424
+c1cc(ccc1)C(=O)c2ccc3nccnc3c2	2424
+C(O)CC1CCCOC1	237
+c1cc(ccc1[N+]([O-])=O)CCN2CCN(CC2)CCc3ccc(c(c3)F)C#N	61
+CC(C)=CCn1c(Cl)nc2N(C(N(CC(=O)c3c(OC)cccc3)C(=O)c12)=O)C	1833
+c1c(c(-c2csc(N)n2)ccc1)OC	354
+c1(ccccc1OC)C(=O)CN=[N+]=[N-]	3396
+CC(C)(C)OC(=O)N=C1NC(=O)N(CCC(F)CBr)C=C1	5619
+c1ccccc1CC(NC2=CC(N(CCC(CBr)F)C=C2)=O)=O	5620
+c1(nc(cs1)-c2nn3c(cccc3)c2-c4cc(F)ncc4)C	3338
+c1cc(ccc1OCC(=O)c2ccc(Br)s2)Cl	702
+c1cc(ccc1)C(C(=O)C)CC=Cc2ccccc2C	5621
+FC(F)Oc1c(-c2nn(cc2NC(=O)c3c4n(cccn4)nc3)CCC#N)cc(Cl)cc1	338
+O(CCOCCc1cccc2ccccc12)CCC#N	176
+C(CC(=O)O)Oc1c(F)cccc1	5622
+O(C(=O)CCN(CCNC(c1nc(c(nc1N)N)Cl)=O)C)C	1877
+C1C2CC3CC(CC1C3)C2NC(c4nc(N5CCN(CC5)CCC(=O)OC)ccc4)=O	1877
+c1(OC)n(c2nc(nc(N)c2n1)OC(CCC)C)CCCCCl	637
+c1cc(ccc1OCCCCN2CCOCC2)C#N	5623
+Clc1cccc(c1)-c2c(C(=O)N)sc(-n3cnc4c3cc(cc4)OCCCCCl)n2	8
+N1(C(Nc2c(ccc(OCCCCCl)c2)CC1)=O)C	8
+N1c2c(ccc(OCCCCCl)c2)CCC1=O	8
+O=S1(=O)c2ccn(CCCCCl)c2C(=O)CN1C	1878
+n1c2c(n(CCCCCl)c1)cccc2	656
+c1cc2n(CCCCCl)nnc2cc1	5624
+c1cc(ccc1OCOC)C2(COc3c(C2c4cccc(c4)OCCCCCl)ccc(OCOC)c3)C	8
+c1cc(ccc1OCCCCCl)Cn2c(nc3c2nc(nc3N)OCCCC)OC	8
+O(CCCOCCCBr)c1c(c2c(ccc(OCC(OC)=O)c2)cc1)C(C)=O	8
+C1CC1(c2cnc(cc2)Cl)C(=O)OCC	5625
+C(c1cc(c(C)cc1)N2C(=O)c3cc(ccc3N=C2)OCCCl)(=O)O	8
+C1CC(CCC1NC(C=Cc2cc(c(OCCCl)cc2)OC)=O)C	8
+C1CC1NC(=O)c2cc(c(cc2)C)N3C=Cc4c(cc(OCCCl)cc4)C3=O	8
+C1CCC1(c2c(OCCCl)cccc2)NC=3C(N(C=CN=3)c4cc(ccc4C)C(NC5CC5)=O)=O	5626
+C1CC1(c2ccccc2OCCCl)N=C3NC=CN(c4cc(C(NC5CC5)=O)ccc4C)C3=O	5627
+C1CC1NC(c2ccc(c(N3C(=O)c4cc(ccc4N=C3)OCCCl)c2)C)=O	8
+CC(C)(C)OC(=O)c1sc2c(c(C)c(OCCCl)c(n2)C)c1N	458
+CC(C)CN(CC(C)C)c1ccc(C2(CC2)C#N)cc1[N+]([O-])=O	1486
+FC(F)(F)c1cc(ccc1)N2CCN(CC2)CCCl	28
+FC(F)(F)c1ccc(c2n(C)c(C(OCC)=O)cc12)OCCCl	458
+c1(c(F)c(c(c(OC)c1)F)N2Cc3c(cc(nc3)Cl)C4(CC4)C2=O)OC	5628
+C1CC1(C#N)c2c(Cl)cc(cn2)Br	5629
+C1CC1(c2ccc(cc2)Br)C(O)=O	3397
+C1CC1(c2c3c(ncc2)cccc3)C(O)=O	3397
+c1c(Cl)c(OCc2cccc(F)c2)ccc1Nc3ncnc4cccc(OCCCl)c34	8
+O=C1c2ccccc2C(=O)N1OCCCl	5630
+c1cc(ccc1)COc2ccc(C3(CC3)C#N)cc2OCc4ccccc4	1486
+c1cc(ccc1-c2n(c3c(c2C#N)ccc(OCCCl)c3)CC)NC(=O)C4CC4	8
+c1cc(ccc1-c2nc(CC(=O)OC)co2)OCCCl	8
+c1cc(ccc1C2(CC2)C#N)C=C	1486
+c1cc(ccc1OCCCl)CCC(=O)OC	8
+c1cc(ccc1Cc2ccc(cc2)-c3occn3)OCCCl	8
+c1cc(ccc1C2C(C)(c3ccc(cc3)OCOC)CSc4cc(ccc24)OCOC)OCCCl	8
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCCl)c(OC)cc45)C)C	8
+c1cc(ccc1SCCCl)C=O	636
+C(COc1cccc(c1)Nc2cc(nc3ccccc23)C)Cl	8
+c1ccccc1-c2c(-c3ccccc3)n(cn2)CCCl	541
+C1CC1(C#N)c2ncc(cn2)C	5631
+C1CC1(c2cc3cccnc3cc2)C#N	1486
+O=S(=O)(c1c(C=2OCCN=2)c(c(cc1)C(=O)OC)Cl)C	5632
+c1ccccc1COC(=O)NCCBr	101
+C1CC2(CCN1C(OCC)=O)C(=O)c3ccc(F)cc3C2	5633
+C1C2CC3CC(CC1C3)C2NC(c4nc(ccc4)N5CCN(CC5)CCO)=O	28
+C1CC(Nc2cccc(OCCO)c12)=O	8
+C1CC1NC(=O)c2cc(-n3c(c(cn3)C(c4cccc(c4)OCCBr)=O)N)c(cc2)C	20
+O=S(=O)(N(CCO)c1c(C2CC2)cc3c(nn(-c4ccc(C)cn4)c3C(NC)=O)c1)C	1233
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(c(c(C)c4)OCCO)CC)c2)OC	8
+C1CN(CCO1)c2nc(Cl)nc3c2cc(cc3OCCO)Br	458
+c1cc(ccc1C#N)NC(C(=O)OCC)c2c(F)c(OC3CCN(CC3)CCO)cc(OCC)c2	28
+C1C(CN1CCO)Oc2nc3c(n2-c4ccnc(N)n4)cc(Br)cc3	28
+CC(C)(C)Nc1c2c(cc(n1)Cl)C=CN(CCO)C2=O	5634
+CC(C)(C)OC(=O)NC1CCN(CC1)CCO	28
+CC(C)(C)OC(NC(Cc1ccc(cc1)OCCBr)C(=O)OC)=O	20
+c1ccccc1C2=NC(C)(C)Cc3c2c4CC(C)(C)Oc4c(OCCO)c3	8
+c1c(OC)c(OC)ccc1CCN(C)CCO	28
+O=S(=O)(CCO)c1ccc(Cl)c(c1)[N+]([O-])=O	3398
+FC(F)(F)c1cc(F)ccc1OCCBr	20
+n1n(cc(I)c1)CCO	338
+C1N(C(CN(CCO)C1)=O)C	1508
+O1C2CN(CC2OC1)CCO	28
+c1c(c(OCCO)ccc1)Br	8
+S(c1nc2nc(C)cc(C)n2n1)CCO	2425
+C(O)CN1CC(C(CC1)N=[N+]=[N-])O	28
+c1(C)c(ccc(OCCO)c1)[N+]([O-])=O	8
+c1ccc(cc1NCCO)Nc2nc(c(cn2)F)Nc3cc4c(OCCO4)cc3	601
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCO)=O)O	28
+c1cccc2C(=O)N(C(=O)c12)CCN(CC)CCO	28
+C(O)Cn1ccc2ccccc12	339
+c1c(OCCO)cc(c(OC)c1)OC	8
+c1c(ccc(OCCO)c1F)F	8
+c12c(cccc1)ccc(c2)OCCO	8
+N1(C(=O)C=CC(Br)=C1)CCO	5635
+c1ccccc1NCCO	601
+c1cc(ccc1)OCc2nn(CCBr)c(C(OCC)=O)c2	2426
+c1cc(ccc1-n2cc(nc2)CNC(c3sc(cc3)Cl)=O)N4C(C(=CC=C4)OCCO)=O	5636
+c1cc(ccc1OCCO)Br	8
+c1cc(ccc1CC)Cc2c(Cl)cc(c(Br)c2)OCCO	8
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3c4ccc(OCCO)cc4CCC3)C(C)C	8
+c1cc(ccc1N(C)C)-c2nc3c(ccc(OCCO)c3)nc2	8
+C1CN(CCN1CCO)c2ccc(cc2)[N+]([O-])=O	28
+O=S(=O)(N(c1c(c([N+]([O-])=O)cc(C)c1)N)CCO)c2ccc(cc2)C	1233
+c1cc(ccn1)C(Cn2c3c(c4c2ccc(c4)C)CN(CC3)CCO)O	28
+c1(Nc2c3cccc(c3ncc2C(CC)=O)OCCO)c(C)cccc1	458
+c1ccccc1-c2onc(OCCBr)c2	5637
+C(c1ccc(C(NC)=O)c(NCC)n1)CCCN	587
+c1cc(nc(CF)c1)C#CCCNC(=O)c2c(cccc2)Cl	93
+C(C)CC(=O)CC(OCCC#N)=O	3307
+Brc1cc(CCC#N)c(CCCO)s1	407
+C(CCOC(C)OCC)(=C)Br	3399
+c1cc(ccc1)[Si](c2ccccc2)(OCCC(=C)Br)C(C)(C)C	328
+c1ccccc1Nc2nc(C)cc(n2)COC	5638
+C=1(C(=O)NC(=O)C=1c2cc(NC(CCO)C)ccc2)c3c4ccccc4n(C)c3	231
+C(OC(=O)OCCC(=O)C)C	405
+Cc1c2nc(nn2c(C)cn1)CCc3ccc(O)c(NC(C)CCO)n3	1270
+c1cc(ccc1)COCCC(C)=O	149
+Nc1nc(CC(NC2C(=O)N3C(C(=O)O)=C(CSC23)COC(=O)N)=O)cs1	2427
+C(OC(CCC#C)=O)CCC	456
+COc1c(c(Cn2c3nc(nc(Cl)c3c(C#CCCC(=O)O)c2)N)ncc1C)C	5639
+c1c2c([nH]c1CCC(=O)O)c(F)cc(c2)Br	5640
+C(CC(=O)NOC1OCCCC1)C(OC)c2cc(C)c(F)cc2	293
+C(CCCCCC(OCC)=O)CCCCCCCCCO	27
+C1CC1c2nc(N3CCN(C(CCO)=O)C(C4CC4)C3)c(cc2N(C)c5ccnc(Cl)c5)C#N	10
+C1OC(CCC1)OCCC(=O)O	219
+c12c(F)cccc1C(CCO2)=O	214
+C(CC(=O)O)c1c(Cl)c(C(N)=O)c(cc1Cl)Cl	1079
+C(CC(=O)O)c1c(Cl)c(c(cc1Cl)Cl)C#N	1879
+C(CO)Cc1cccc(F)c1	21
+C(OC)(CCc1cccc(F)c1)=O	27
+c1([N+]([O-])=O)cccc(c1)CCCO	21
+C1CN(CCN1C)c2ccc3c(c2)c(O)c(c(N)n3)C#N	3400
+CN(C)c1ccc2nc(N)c(c(c2c1)O)C#N	3400
+CC(C)(C)OC(C(C1C(CC)CCN1)N2CCCC2C(=O)NC(CCSC)C(=O)OC)=O	188
+Cc1ccccc1-c2c(ccc([N+]([O-])=O)c2)C(=O)NC(CCSC)C(=O)OC	259
+FC(F)(F)c1cccc2c1CN(C2=O)C(C(OC)=O)CCSC	1880
+c1cc(ccc1-c2cc(ccc2C(NC(CCSC)C(OC)=O)=O)O)F	3401
+c1cc(ccc1)-c2cc(CBr)ccc2C(NC(CCSC)C(OC)=O)=O	259
+c1ccccc1-c2cc(ccc2C(=O)NC(CCSC)C(OC)=O)I	5641
+C=C(C)CCOc1cccc(NC(C)=O)c1	20
+c1c(OCCC(=C)C)c(Cl)cc([N+]([O-])=O)c1	20
+C(=O)(CC(O)CCCCCCCCCCC)OC	770
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(OC)=O	20
+C(CC(CC=C)OCCCCCCCCCCBr)=C	176
+C(C=C)C(CC=C)OCCCCCCCCCCOc1ccc(cc1)C(OC)=O	8
+FC(F)(F)C(=O)NCC(C)(C)Cc1cccc(c1)C#CC(CCC)(CCC)O	197
+c1cc(ccc1C(=O)O)OCCCCCCCCCCOC(CCC=C)CCC=C	1
+CC(C)(C)[Si](C)(C)OCC(CCCC)(CCCC)COC	19
+c1cc(ccc1)CONC(=O)C(CO)CCCCC=C	293
+C1CC(c2c1c(Cl)ccc2)=O	94
+C(CC(C(=O)OC)N)SC	27
+C(CC(N)C(=O)O)SC	3402
+C(C(OCC)=O)Cc1cc(ccc1O)CCCCC(=O)OCC	165
+O=S(=O)(OCCOCCOC(=O)CCCCCCCCCCCCCCCCCCCCC)c1ccc(cc1)C	36
+c1cc(ccc1Br)Cc2c(CC)n[nH]c2CC	3403
+c1(OC)c(nccc1C(CC)=O)OC	155
+c1ccccc1Oc2c(NC(=O)CCC)cc(Cl)cc2	5642
+CC(CCCC(=O)C)CCC	1101
+CC(C)(C)OC(N1c2cc(Cl)ccc2C(=Cc3cc(ccc3OC(CCC)(CCC)C(=O)OCC)Cl)C1=O)=O	1881
+CCCC(CCC)C(=O)N(C)C(C(OC)=O)CC=C	5643
+C(CCC)C(CCCC)CO	44
+O=S(=O)(C)OCCCCCCCCCC	7
+OB(O)c1ccc(c(F)c1F)CCCCCCCCC	1509
+C(CCCCOCCCCC#N)OCCCCC	176
+c1cc(ccc1NC(=O)C)CC(NC=2C(=O)NC(N(CCCC)C=2N)=O)=O	2428
+c1(c2nnc(c(Cl)c2cc(SCC)c1)C(=O)N)F	3404
+c1ccccc1C2=Cc3c(c(C(=O)OC)ncc3N(CC4CCCCC4)C2=O)O	1510
+c1cc(ccc1)C=2C(N(c3cnc(c(c3C=2)O)C(=O)OC)Cc4sccn4)=O	1510
+c1ccccc1CN2c3cnc(C(OC)=O)c(O)c3C=C(c4ccccc4)C2=O	1510
+c1cc(ccc1)C2=Cc3c(c(C(=O)OC)ncc3N(C2=O)C(C)c4ccccc4)O	1510
+C(C)CN(CCC)C(C(=NNc1ccccc1)C(C)=O)=O	5644
+O=S(=O)(c1cccc(c1)C(O)=O)NCCC(=O)OCC(N(CCC)CCC)=O	71
+c1(F)cc(cc(F)c1)CC(C(CNCc2cccc(OC)c2)O)NC(c3cc(cc(c3)C(=O)N(CCC)CCC)C)=O	14
+C(CC)N(CCC)CCCCN	51
+CCCN(CCC)CCCCN1CCc2c(ccc(C(OC)=O)c2)C1	61
+c1cc(ccc1CNCCCCN(CCC)CCC)C#N	42
+c1cc(ccc1OC)CN2C(N(C(C)=C(C2=O)[N+]([O-])=O)CCC)=O	5645
+C(CC)N1C(=C(C(NC1=O)=O)[N+]([O-])=O)C	2429
+C(CC)N1C(C(N)=C(N)NC1=O)=O	721
+CC(C)(C)OC(NCC(CNc1cc(c2c(CC(=O)N2CCC)c1)F)O)=O	843
+C(CC)N1C(Cc2c1c(F)cc(N)c2)=O	0
+C(CC)N1C(C(=C(N)NC1=O)N=O)=O	1882
+C(C)Cc1c(c(C(C)=O)ccc1OCCCCCOc2ccc3c(OC(CC3=O)C(O)=O)c2CCC)O	3
+Cc1n(-c2cn(CCC)nc2)c3cc(Cl)ccc3c1Sc4cccc(c4)CC(OCC)=O	1865
+FC(F)(F)c1ccc(cn1)Nc2ccc(-c3cc4CCC(CC(=O)OCC)(C(c4cc3)=O)C)nc2	3405
+C(CC1(C(=O)c2ccc(cc2CC1)-c3ccc(N)cn3)C)(OCC)=O	13
+Clc1cccc(c1)COc2cc3OC(C=C(CC(N)=O)c3cc2)=O	657
+C1CN(CCN1Cc2ccccc2)C3C(CCCCC3)CC(OC)=O	85
+C(CC1CCc2cc(ccc2O1)NC(OCC)=O)C#N	90
+C(CC1CCc2cc(N)ccc2O1)C#N	0
+N1(C(=O)C)c2cc(C)cc(C)c2C(CCC(=O)O)C1	459
+c1ccccc1COC(N2CCCCC2CCCO)=O	66
+c1ccccc1CN2CCCCC2CCCO	131
+C(CC1Oc2c(cc(N)cc2)C1)C#N	0
+C(CC1Oc2c(cc(cc2)NC(OCC)=O)C1)C#N	90
+C(CN)CC1Oc2c3ccc(O)nc3c(C)cc2C1	51
+O1CC(CCOC)Oc2ccccc12	21
+C(CC1c2c(CC1)cc(NC(C)=O)cc2)C(=O)O	3406
+O=C1Nc2c(cccc2)C(CCO)C1	88
+C(CCC(CCC=C)OCCCCCCCCCCBr)=C	176
+C(CCC=C)(N=[N+]=[N-])c1ccccc1OC	841
+C(CC=CCC=CCCCC(Nc1ccc(c(c1)C(=O)O)O)=O)=CCC=CCCCCC	1
+C(CC=CCC=CCCCC(=O)Nc1ccc(O)c(c1)C(=O)OC)=CCC=CCCCCC	33
+C(C=CCC=CCCCCC)C=CCC=CCCCCO	95
+C(CCCCC)Oc1cccc(C)c1	8
+Nc1sc(SCCCCCC)nn1	5646
+c1cc(ccc1)-c2nc(nc(-c3ccccc3)n2)-c4c(cc(OCCCCCC)c(c4)Cl)O	8
+c1cc(ccc1OCCCCCC)I	8
+c1ccccc1COc2cc(C(O)(C)CCCCCC)ccc2	5647
+Nc1sc(nn1)CCCCCBr	1087
+CC(C)(C)OC(=O)N1CCC(CC1)c2cccc(NC(CCCCCBr)=O)c2	26
+c1(OC)cc2c(ccnc2c(NC(CCCCCBr)=O)c1)C	308
+C(Br)CCCCC(=O)Nc1ccccc1[N+]([O-])=O	26
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCNC(=O)CCCCCBr	68
+C(Br)CCCCC(=O)Nc1ccccc1O	26
+c1ccccc1-c2c(nc(n2CCCCCCCBr)-c3ccccc3)-c4ccccc4	541
+c1ccccc1CNCCCCCCOCCCCCCc2ccccn2	132
+c1(OC)n(c2nc(nc(N)c2n1)OC(CCC)C)CCCCCCl	637
+c1(OC)n(c2nc(nc(N)c2n1)OCCCC)CCCCCCl	637
+CC(C)CCSCCCCCCl	965
+FC(F)(F)CSc1cc(ccc1C)OCCCCCCl	8
+O=Cc1cn(c2ccc(OC)cc12)CCCCCCl	339
+c1cc(ccc1OCCCCCCl)C#N	8
+c1cc(ccc1SC(c2cc(c(OC)cc2)OC)(CCCCCCl)C#N)C	5648
+O(C(CCc1nc(C#CCCC(OC)=O)ccc1O)=O)C	3407
+c1cc(ccc1-c2c(NC(=O)OC(C)c3c(cccc3)Cl)c(no2)C)C#CCCCCC(O)=O	197
+c1(ccc(cc1Cl)C(CCCC#Cc2cc(c(-n3nc(C)nc3)cc2)OC)=O)Cl	155
+c1(nnn[nH]1)CCC(=O)OC	3408
+C(OC(CC(CCCCCC)(C)O)=O)C	5649
+c1cc(ccc1)Oc2cc(Br)cnc2Nc3nc(CCC(=O)OC)cs3	1102
+c1cc(ccc1Cl)-c2nn(c(C)c2)CC(CCC(=O)OC)=O	5650
+C1COCCC1Nc2c(CNC(=O)CCC(=O)OC)c(nc3c2cnn3CC)CC	9
+c1cc(ccc1-c2ccccc2)COCc3ccc(nc3)NC(=O)CCC(=O)OC	142
+c1cc(ccc1)C(NNC(=O)CCC(OC)=O)=O	708
+CC(C)(C)OC(NCCOCCOCCOCCNC(=O)CCCCC(=O)O)=O	9
+CC(C)(C)OC(NCCCCCCCC(=O)O)=O	37
+c1ccccc1COC(NCCCCCCCC(=O)O)=O	101
+C[Si](C)(C)c1cccc(Cl)c1C(=O)N(CC)C(CCCCCC)C	115
+O=S(=O)(C)OC(CC)CCCCCC	7
+C(CC(CCC=C)OCCCCCCCCCCOc1ccc(cc1)C(OC)=O)C=C	8
+N1(CCCC1=O)CCCNC(CCC(OC)=O)=O	68
+CC(C)(C)c1c(N2CCN(CC2)C(CCC(=O)OC)=O)cccc1	58
+CC(C)c1cc(c(I)cc1Oc2c(N)nc(NC(CCC(OC)=O)=O)nc2)OC	784
+n1c(NC(CCC(OC)=O)=O)sc(c1)C#N	290
+C1(=O)CCC(=O)N1OC(=O)CCC(=O)OC	5651
+c1cc(ccc1C(CCC(OC)=O)=O)-c2c(cc(Cl)cc2)F	94
+c1cc(ccc1Br)C(CCC(OC)=O)=O	94
+c1cc(ccc1)COc2cc(CCCNC(=O)CCC(OC)=O)ccc2	68
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4c5c(nc(n4)NC(=O)CCC(OC)=O)sc(CC)c5)=O	784
+n1cc(cnc1-c2c(c(F)c(cc2)OCC(CCCCCCCC)F)F)-c3ccc(nc3)OCCCCCCCC	20
+C(CCCNc1cccc(C)c1C)(OC)=O	15
+C(CCC(O)C)CCCCC(=O)O	4
+C(OC(CCCC(C(=O)c1sc(cc1)Cl)O)=O)C	3409
+C(c1cnc2c(C)cccc2c1Cl)(CCC)=O	120
+C(c1cnc2c(cccc2c1Cl)C(=O)C)(CCC)=O	120
+C(CCC)(c1c(c2c(nc1)c(OCCOC)ccc2)Nc3ccc(cc3C)F)=O	2430
+CC(C)CC(C)N(CC(CCCC)CC)CCCCCCCCCCCC	61
+c1cc(ccc1N(C(CC(C)C)C)CC(CC)CCCC)OCC	713
+C(CC(CCCC)(CO)COC)CC	76
+CCCCC1(CCCC)c2ccc(cc2C(O)=C(C1=O)C=3NS(=O)(=O)c4cc(I)ccc4N=3)F	5652
+C(CCC)C1(CCCC)CN(c2ccc(cc2S(=O)(=O)C1)O)c3ccc(cc3)N	5
+CC(C)(C)OC(=O)Nc1ccc(cc1)N2c3ccc(cc3S(=O)(=O)CC(CCCC)(CCCC)C2)O	150
+c1cc(ccc1C=O)C#CCCCCCCCC	197
+o1nc(CCCCCCCC)nc1C=Cc2ccc(OC)c(OC)c2	3410
+CC(C)(C)OC(N1C(C(NCCCCCCCC)=O)CCCC1)=O	9
+CC(C)N(C(C)C)c1nc(nc(n1)NCCCCCCCC)N2C(C)(C)CC3(OCCO3)CC2(C)C	387
+S(CCC(C(=O)NCCCCCCCC)OC(=O)C)C	9
+c1cc(ccc1-c2cccc(C(=O)NCCCCCCCC)c2)C=C3C(NC(S3)=O)=O	14
+c1ccccc1C(=O)OCCN2C(CC)(C)C(C3(NC(N(C3=O)CCCCCCCC)=O)CC2(C)CC)C	279
+N#CC(C#N)=C1C(=C(c2ccc(cc2)-c3cn(nn3)CCCCCCCC)C(C)(C)O1)C#N	2352
+CC(C)(C)OC(=O)C(C)(C)Sc1scc(CC(=O)NCCCCCCC)n1	9
+C(CCCCCC)NC(C)=O	68
+c1ccccc1-c2c([nH]c(SCCCCC(NCCCCCCC)=O)n2)-c3ccccc3	9
+C(CCCC)CN(CCCCCC)C(=O)C1Sc2ccccc2-c3[nH]c4c(cccc4)c13	5653
+s1c(NC(C)=O)nc2c(OCCCCCNC(NCCCCC)=O)cccc12	458
+n1(c(C#N)nc2N(C(=O)N(CCCC)C(c12)=O)CCCC)CC=C	5654
+CCCCN(CCCC)C(=O)OCCl	66
+CCCCN(CCCC)C(=O)c1[nH]nc(c1Cl)C	3411
+C[Si](C)(C)CCOCn1c(Br)nc(c1)C(=O)N(CCCC)CCCC	777
+C(CCN(CCCC)C(c1nn(c(c1)C)-c2c(cc([N+](=O)[O-])cc2)C(N3Cc4c(CC3CO)cccc4)=O)=O)C	147
+C(CCN(CCCC)C(c1nn(-c2c(C(=O)N3C(Cc4c(cccc4)C3)CO)cc(Br)cc2)c(C)c1)=O)C	147
+C(CCC)N(CCCC)C(Cn1c2CCCC(=O)c2c3ccc(cc13)OC)=O	10
+CCCCN(CCCC)C(=O)c1ncc2c(n(CCCN3CCCCC3)c(Nc4ccc(cc4)OC)n2)c1	147
+C(CCC)N(CCCC)CCCOc1ccccc1	53
+C[Si](C)(C)C#Cc1c2c(cc(c1F)F)C(=O)C(C(OCC)=O)=CN2c3ccc(F)cc3F	5655
+C1CCCC1N2C(C(=C(C)c3cnc(Nc4ccc(N5CC(C)OC(C)C5)cn4)nc23)C(=C)OCC)=O	5656
+C1CC1CC(C#N)c2ccc(C(=C)OCC)nc2	5657
+C1COCCN1c2cnc3c(cc(Sc4nnc5ccc(cn45)C(OCC)=C)cc3)c2	5658
+CC(C)(C)OC(NC(Cc1ccc(cc1)C(=C)OCC)CCO)=O	3412
+CC(C)n1ncc2c1nc(C(OCC)=C)cc2C(=O)NCc3c(nc(C)cc3C)O	3413
+CC(c1nnc2n1nc(cc2)C(=C)OCC)c3c(cc4ncccc4c3F)F	5659
+CC1(C)C=C(c2c(O1)cc(c(C(C)=O)c2)OC)C(C)C	1271
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(cc(cc2)C(=O)C)C=3CCCCC=3	1271
+C[Si](C)(C)CCOCn1c2c(cc1)c(NC3CCCCC3)c(C(C)=O)cn2	3414
+CCOC(c1c(F)cnc(Cl)n1)=C	3415
+FC(F)(F)c1cc(C(C)=O)ccc1[N+]([O-])=O	1271
+O(c1cccnc1C(OCC)=C)C	3413
+C1(=O)c2c(C(=O)N1C(CC(C)C)COc3cc4N(C(=O)c5c(C)nccc5-c4cc3C(OCC)=C)C)cccc2	3412
+c12c3c(-c4c(C)c([N+]([O-])=O)ccc4)nnc(O)c3[nH]c1cc(cc2)C(=O)C	5660
+c1c(cc2ccc(C(=C)OCC)nc2c1)Br	5661
+c1cc(ccc1C(C)=O)-c2cocn2	1271
+c1cc(ccc1Cl)Nc2c(cc(cn2)C(=O)C)Cl	3414
+c1ccccc1-n2ncc3C(N(c4ccc(cc4)Cl)C(=Nc23)c5ccc(cc5)C(C)=O)=O	1271
+c1ccccc1C(c2c(F)ccc(C(C)=O)c2)O	1271
+C(C)OC(c1cc(Cl)ncn1)=C	3415
+C(C)N(CC)CC=Cc1c(ccc(c1)F)S(=O)(=O)Nc2c(c3c(C4CC4CO3)c(c2)F)C(OC)=O	1511
+C(C)N(CC)CC=Cc1cc(ccc1S(=O)(=O)Nc2c(C(=O)OC)c3ncc4c(cco4)c3cc2)F	1511
+O=S(=O)(c1ccc(cc1C=CCN(CC)CC)F)Nc2c(C(OC)=O)c3c(c4ccnn4cc3)cc2	1511
+O=S(=O)(Nc1c(c2c(n3CCCc3c2)cc1)C(=O)OC)c4ccc(cc4C=CCN(CC)CC)F	1511
+c1(cc2sc(NC(NCC)=O)nc2cc1)-c3nnn[nH]3	2431
+c1c(Cl)c(c(cc1-c2nnn[nH]2)Cl)C(OC)=O	2431
+Clc1ccc2c(nc(C=Cc3cc(ccc3)CN4c5c(cccc5CC4)CCc6nnn[nH]6)cc2)c1	3416
+Clc1ccc2c(nc(C=Cc3cccc(OC(c4[nH]nnn4)C)c3)cc2)c1	5662
+FC(F)(F)c1ccc(cc1)Cc2c(C(NC3(CC3)c4ccc(cc4)-c5nnn[nH]5)=O)c(sc2C)C	2357
+c1c(c(ccc1)-c2c3c(n[nH]2)ccc(-c4[nH]nnn4)c3)OC	2431
+n1nn[nH]c1CCCOc2ccccc2N(C(c3cc(c(cc3)Cl)Br)=O)C	3416
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+C(CCSc1[nH]c2cc(C(O)=O)ccc2n1)CSc3c(c(O)c(cc3)C(=O)C)CCC	6
+CC(C)(c1ccc(cc1)F)C=Cc2c(N)nc(nc2C)N	5692
+O=S(=O)(N(C(=O)OC)c1c(C(=O)OC)c2c(cc1)C3CC3CO2)c4c(cc(F)cc4)C=CCO	1511
+c1n(c(nc1)Sc2ccc(cc2Cl)Nc3c4ccc(cc4ncc3C#N)C=CCO)C	5693
+C1COCCC1N(c2cccc(C(=O)OC)c2CC=C)CC	1276
+C12CC3(CC(C1)CC(C3)C2)c4cc5c(ccc(-c6ccc(cc6)C(OC)=O)c5)cc4CC=C	5694
+FC(F)Oc1cc(ccc1C#N)CC=C	1276
+N1(c2c(C(=O)N(c3ccc(nc13)F)C)cc(CC=C)cn2)CC	3427
+N1(c2ncc(cc2C(Nc3c1nc(cc3C)Cl)=O)CC=C)CC	3427
+c1cc(c(cc1CC=C)F)C#N	1276
+c1c(ccc(C#N)c1OC)CC=C	1276
+c1cc(F)c(c(F)c1OCc2nc3cc(ccc3s2)CC=C)C(=O)N	5695
+c12c(CC=C)c(ccc1C=CC(=O)N2C)OC	1276
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(-c5ccnc(c5)C)c6cc(CC=C)c([N+]([O-])=O)cc46	1276
+n1ncc(-c2cc(c(cc2O)Cl)-c3ccccc3F)cc1	3428
+c1(Cl)cc(-c2cnncc2)c(cc1-c3cc(F)ccc3)O	3428
+C1CC1CN2C(Cc3c[nH]c4c3cc(cc4)-c5cncc(C(N)=O)c5)CCC2	5696
+C(CCc1cc2c(cccc2)cc1)c3onc(C(OCC)=O)c3	3429
+C(c1onc(C(O)=O)c1)CCc2cc3c(cccc3)cc2	6
+C[Si](C)(CCCC)CCCOc1ccc(cc1)OC(c2sc(CCCCCCCC)cc2)=O	852
+c1cc(ccc1Br)-c2c(NC(C)CCc3ccccc3Cl)c(no2)C	5697
+c1cc(ccc1S(=O)(=O)NCCCCC(SCC(OCC)=O)CCCc2cccnc2)Cl	71
+C(CCc1cccnc1)C(SCC(=O)OCC)CCCCN	18
+C(CCCC(CCCc1cccnc1)SCC(=O)OCC)O	168
+C1CN(CCC1C=C(c2cccc(OC)c2)c3cccc(OC)c3)CCCCCCCCc4cccnc4	53
+c1ccccc1C(c2ccccc2)=CC3CCN(CC3)CCCCCCCCc4cccnc4	53
+C(CCc1cccnc1)CCCCCCl	221
+s1c(C=O)ccc1CCCCCC	968
+Oc1c(ccc(C=Cc2onc(CCCCCCCC)n2)c1)O	5
+c1cc(c(cc1C(CCc2nnn[nH]2)=NOC)Cl)Cl	189
+c1cc(ccc1OCCC#N)O	72
+C1CN(CCN1CCc2ccc(cc2)Cl)C(c3ccc(cc3)NC(CCCl)=O)=O	26
+CC(C)(C)c1ccc(cc1)C(=O)CCCl	94
+CC1(C)CC(Nc2c1cc(cc2CC)C(CCCl)=O)=O	94
+c1c(ccc(Br)c1Cl)NC(=O)CCCl	26
+C(Cl)CC(Nc1cc([N+]([O-])=O)ccc1)=O	26
+c1c(cc(Cl)c(NC(=O)CCCl)c1)Br	26
+C(CCCl)(Nc1c(cccc1)F)=O	26
+c1ccccc1S(=O)(=O)c2ccc3OCCN(C(=O)CCCl)c3c2	192
+c1cc(ccc1NC(=O)CCCl)Nc2nc(c(cn2)Br)Nc3ccccc3	26
+c1cc(ccc1N2CCOCC2)-c3nc(OCC4CN(CCO4)C(CCCl)=O)c5c(nccn5)c3	58
+c1c2CN(CCOc2ccc1C(CCCl)=O)C=O	94
+C(Cl)CC(=O)NCc1cnccn1	68
+Nc1sc(nn1)CCCl	1087
+O=S(=O)(C)Nc1cc(ccc1Oc2ccccc2)OCCC(=O)O	5698
+c1cc(ccc1)CN(CCCN2N=C(c3cc(c(OC)cc3C2=O)OC)C)CCc4ccc(c(c4)OC)OC	53
+C1CCCC1n2nnc3c(O)nc(nc23)CNCCCl	3430
+C1CN(CCN1C(=O)c2cn(CCN)c3cc(Cl)ccc23)c4c(cccc4)F	1277
+CC(C)(C)OC(NCCCl)=O	37
+c1([N+]([O-])=O)cc(ccc1NCCCl)C(=O)OC	60
+c1c(Cl)cc(cc1Cc2c(CC)nn(CCN)c2CC)Cl	2441
+c1c(cc(Cl)c(NC(NCCCl)=O)c1)Br	282
+c1cc(ccc1C(NCCCl)=O)I	93
+c1cc(ccc1OC)SCCN	1107
+c1ccccc1S(=O)(=O)N2CCN(CC2)c3ccc4oc(cc4c3)C(=O)OC	386
+C1CNCCN1c2c3c([nH]c(C(OC)=O)c3)ccc2	386
+C1CN(CCN1)c2cccc3ccc(OCC4CC4)cc23	386
+CC(C)(C)OC(=O)N(CCCl)CCCl	23
+CC(C)(C)c1c(c(N2CCNCC2)cc(Br)c1)OC	386
+CC(C)(C)c1ccccc1N2CCNCC2	386
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)N2CCNCC2	386
+CC1(C)C(C)(C)CC(c2c(cccc2)N3CCNCC3)=C1	386
+C1CN(CCN1)c2c(c(C)ccc2)C=3CC(C)(C)CC(C)(C)C=3	386
+CC1(C)CC(C)(C)C=C(C1)c2c(N3CCNCC3)cccc2F	386
+C1CNCCN1c2cc(OC)ccc2C=3CCC(C)(C)CC=3	386
+FC(F)(F)COc1ccc(cc1N2CCNCC2)F	386
+c1cc(ccc1N2CCNCC2)CC(C(OCC)=O)(C(OCC)=O)C	386
+c1cc(ccc1N2CCNCC2)C(C(=O)OCC)(C(=O)OCC)C	386
+C1CN(CCN1)c2cccc3n(ccc23)S(=O)(=O)c4c5ccccc5ccc4	386
+C1CN(CCN1)c2c[nH]c3cccnc23	5699
+c1cc(ccc1N2CCNCC2)N3C(=O)c4ccccc4C=C3	386
+c1cc(ccc1Oc2cc(-c3ccccc3)ccc2N4CCNCC4)OC	386
+C1CN(CCN1C)c2nc3N(C=C(C(=O)c3cn2)C(OCC)=O)CCO	5700
+CCC(CC)NC(C=Cc1ccc(cc1)OCCO)=O	72
+O(CCCl)CC(OCC)=O	337
+N#CC(C#N)=C(C)c1cc2ccc(cc2cc1)N(CCOCCO)C	649
+O=S(=O)(c1ccc(cc1)NC(=O)CC2CCN(CC2)CCO)C	53
+c1(cc(ccc1[N+]([O-])=O)OCCO)OC	72
+c1([N+]([O-])=O)cc(Cl)c(NC(=O)OCCCl)cc1	589
+c12cc(cc(OCCCl)c1c(Nc3cc([nH]n3)CC(Nc4cccc(c4)F)=O)ncn2)OC	3431
+c1cc(ccc1OCCO)C(=O)O	72
+c1cc(ccc1OCCN(CCO)CC)C	53
+c1cc(ccc1OCCO)C(c2c[nH]c3c2cccc3)=O	72
+c1ccccc1S(=O)(=O)N(c2cccc(c2)OCCc3ccc(cc3)C#N)CCO	2442
+c1(OCCCl)cccc2ncccc12	1520
+CC(C)(C)OC(=O)N1CC2(CN(C2)C3CCN(CC3)CCOC)C1	53
+c1c([N+]([O-])=O)ccc(OCCOC)c1I	72
+CC(C)N1N=C(Br)c2ccc(SCCSC)cc2C1=O	1107
+c1(C=O)cccc(OCCSC)c1	72
+FC(F)(F)c1cc2scc(N3CCN(CC3)CCC4(CC4)C(=O)NCCCn5ccnc5)c2cc1	9
+C1CCCCC1N2C=C(C(c3cnc(nc23)NCCCn4ccnc4)=O)C(OCC)=O	435
+N12C(COc3c(NCCCn4ccnc4)c(c(N)c(c13)C(=O)C(=C2)c5nnn[nH]5)F)C	60
+c1cc(ccc1[N+](=O)[O-])C(=O)NCCCn2ccnc2	93
+c1ccccc1Nc2c(Cl)cnc(Nc3ccc(cc3)C(NCCCn4ccnc4)=O)n2	14
+c1cc(ccc1C=O)OCCF	72
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)NCCF	238
+c1c(CNCCF)cc2c(CC(=O)OCC)c(ccc2c1)Cl	42
+c1ccccc1COc2c(c(cc(OCc3ccccc3)c2)Oc4ccc(cc4)[N+]([O-])=O)-c5onc(C(=O)NCCF)c5	81
+c1ccccc1-n2nc(cc2OCC(=O)N3C(CCC3)C(NCCF)=O)C(OCC)=O	9
+c1c(F)c(c(c(OCCF)c1)Cl)-c2nc3n(c2Nc4cc5c(OCCO5)cc4)c(OC)ccc3	1891
+C(CF)Oc1ccc(F)c(c1Cl)C=O	151
+C1CCCCC12c3c(cccc3)NC2=O	5701
+CC(C)(C)OC(=O)N1CC(N(C(C1)=O)c2ccc(cc2)OCCCOCc3c(cccc3)OC)CO	116
+c1cc(ccc1[N+]([O-])=O)C=Cc2ccc(N(CC=C)C)c(CC=C)c2	1521
+C(CN(C)c1ccc(C=O)cc1CC=C)=C	151
+C(CC)N(CCC)C1Cc2cc(ccc2C1)C=O	146
+C(CC)N(CCC)CCC(=O)NCCO	248
+CC(C)(C)OC(N1C(C(NCCC#N)=O)CC2CCCCC12)=O	9
+CC(C)(C)OC(NC(C(=O)NCCC#N)Cc1ccc(cc1)-c2cc(Cl)ccc2)=O	9
+C1CCCCC1C(=O)c2cc([N+]([O-])=O)c(NCCC(=O)N)cc2	60
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C2N(CCC(O)=O)C(=O)CS2	5702
+FC(F)(F)c1cc(ccc1)C2=Cc3c(c(ncc3N(Cc4ccccc4)C2=O)C(=O)NCCC(O)=O)O	658
+C(CCNC(=O)CCC(=O)Nc1cccc2c1cccc2)(=O)O	9
+c1ccccc1C2=Cc3c(c(nc(-c4cccnc4)c3N(C(C)c5ccccc5)C2=O)C(=O)NCCC(O)=O)O	658
+c1cc(ccc1)C2=Cc3c(cnc(c3O)C(=O)NCCC(O)=O)N(C2=O)Cc4sccn4	658
+c1cc(ccc1)CCC=2C(=O)N(Cc3ccccc3)c4c(C=2)c(O)c(C(=O)NCCC(O)=O)nc4-c5cnccc5	658
+C1CCCCC1CN2C(C(=Cc3c2c(nc(C(NCCC(O)=O)=O)c3O)-c4ccncc4)c5ccccc5)=O	658
+CC(C)(C)OC(=O)N1C(C(=O)NCCC(=O)OC)CCC1	9
+CC(C)(C)OC(=O)NC1C(C)(C)C(C1)C(=O)NCCC(=O)OC	9
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(C)c3sc(C(NCCC(=O)OC)=O)cc3)C	227
+CC(C)CC(Sc1ccc(cc1)Br)c2ccc(cc2)C(NCCC(=O)OC)=O	14
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(=O)NCCC(=O)OC	14
+O=C(NCCC(OC)=O)c1c([N+]([O-])=O)cc(c(Cl)c1)[N+](=O)[O-]	14
+c1cc(ccc1C(=O)NCCC(=O)OC)C(=O)CCC	14
+c1cc(ccc1C(NCCC(=O)OC)=O)C(Oc2ccc(cc2)Br)CCCCCC	14
+c1cc(ccc1F)-c2cc(no2)C(=O)NCCC(=O)OC	81
+c1ccccc1COc2ccc(cc2)C(NCCC(=O)OC)=O	14
+c1cc(ccc1Oc2cc(ncc2)-c3cc(C(=O)NCCC(=O)OC)sc3)NC(Nc4cc(ccc4F)C)=O	227
+c1(Cl)cc(cc(Cl)c1Oc2cc(C(=O)NCCCCCCCCC)c(OC)cc2)[N+](=O)[O-]	14
+c1cc(ccc1C(c2ccccc2)=CC(NCCCCCCCCCC)=O)[N+]([O-])=O	771
+c1cc(ccc1C2CC2C(NCCCCCCCCCC)=O)[N+](=O)[O-]	9
+c12c(ccnc1cccc2)NCCCCCCCCOc3cc(F)ccc3	105
+C1CC1C(=O)NCCCc2c3CCOc3ccc2Br	68
+c1(nc(nc(C)c1C(OCC)=O)NCCCc2cccc(OC)c2)C	96
+C(CN)Cc1c(ccc2OCCc12)Br	38
+c1ccc2ccc(OC)cc2c1CCCNC(C)=O	68
+CC(C)(C)OC(=O)NCCN(C)CCN	3391
+C1CC(CCN1C)c2nn3c(NCCNc4ncc(cc4)C#N)nc(-c5ccc(cc5Cl)Cl)cc3n2	3432
+Clc1ccc(c(c1)Cl)-c2c3CN(CCc3nc(NCCNc4ccc(C#N)cn4)n2)C(C)=O	435
+CC1=C(C)C(=O)N(C1=O)CCO	3433
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4c5c(ccc4)C(=O)N(C=C5)CCO	1892
+C1CC1NC(=O)c2cc(c(c(c2)N3C=CNC(=NC(C)(C)c4c(SCCNCCO)cccc4)C3=O)C)F	284
+C1CC1c2nc(c(Oc3c(cccc3)OC)c(n2)NS(=O)(=O)c4ncc(cc4)C(C)C)OCCN	145
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(C)c(OCCNCCO)c(CC)c4)c2)OC	285
+C1C(CC1)(NC=2C(N(C=CN=2)c3cc(ccc3C)C(NC4CC4)=O)=O)c5ccccc5OCCNCCO	284
+C1CCCCC1CCCNCCO	110
+C1CN(C(=O)CNCCO)c2ccc(cc2S1)[N+]([O-])=O	402
+C1CN(CCO1)c2c3c(cc(-c4cccc(c4)C(=O)NCCO)s3)nc(n2)-c5cnc(nc5)N	14
+N=1c2ccccc2C(N(C=1CC)CCO)=O	3434
+CC(C)(C)C1CCC(CC1)c2cccc(NC(=O)Cc3ccc(c(OC)c3)OCCNCCO)c2	132
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2nc(NCCO)nc(n2)OC	387
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)C3=NCCO3)=O	5703
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(NCCO)=O)=O	238
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)CNCCO	463
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(NCCO)=O	238
+C1N(CCc2c3C(N(C=Nc3sc12)CCO)=O)C	3435
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(cc(C3CCN(CC3)C(NCCO)=O)cc2)C4=CCCCC4	1893
+c1(NCCO)c(Cl)cc(C(Nc2cc(c(C)cc2)O)=O)cc1	60
+Clc1ccc2c(c(n(c2c1)C)-c3cncc(CNCCO)c3)C#N	249
+FC(F)(C)C(NCCO)=O	271
+FC(F)(F)CCS(=O)(=O)CCCNCCO	284
+FC(F)(F)c1c(F)cc2n(cc(CNCCO)c2c1)C	249
+FC(F)(F)c1nc2c(c(NCCO)c1)cccc2	105
+FC(F)(F)c1cc(ccc1OCCNCCO)F	132
+FC(F)(F)c1ccccc1-c2nc(O)c3cc(ccc3c2)NC(CNCCO)=O	402
+FC(F)(F)c1nc(cs1)-c2c(cccc2)OCCNCCO	132
+FS(F)(F)(F)(F)c1ccc2[nH]cc(CNCCO)c2c1	249
+C(CNc1c(Cl)cc([N+]([O-])=O)c(NCCN)c1)O	205
+O(Cc1cc(N)ccc1Cl)c2cnc(cc2)NCCO	182
+n1c(n(Cc2c(F)cccc2Cl)c3C(N(C(=O)N(c13)C)C)=O)N4CCCC(C(NCCO)=O)C4	9
+c1(NCCO)c(ccc(N2C(=O)C=CC=C2)c1)-n3cnc(CNC(c4sc(cc4)Cl)=O)c3	60
+Fc1c(cccc1)CNCCO	42
+C1CC(CCC1)CC(Nc2c3c(nc(cc3)N4CCC(NCCO)C4)ccc2C)=O	5704
+C(c1c(F)ccc([N+]([O-])=O)c1)(NCCO)=O	14
+N(CCO)c1c([N+]([O-])=O)cccc1Br	205
+N(CCO)c1c(ccc(F)c1Cl)[N+]([O-])=O	60
+c1(cc([N+]([O-])=O)ccc1C(CNCCO)O)Br	284
+c1(F)c(ccc(C(CNCCO)O)c1)Br	122
+c1(cccnc1OCC(C)F)Nc2c3c(c(sc3ncn2)C(NCCO)=O)C	227
+c12C=CN(C(c1ccc(Cl)c2[N+]([O-])=O)=O)CCO	1892
+c12cc[nH]c1ccc(C(NCCO)=O)c2	14
+c1c(c(ccc1)OCCNCCO)Br	132
+c1c(ccc(COC2=C(Br)C(N(C(=C2)C)c3c(C)ccc(C(NCCO)=O)c3)=O)c1F)F	14
+c1(ccc([N+]([O-])=O)c(n1)N)NCCO	70
+c1(C)cc(C(CNCCO)O)ccc1[N+]([O-])=O	122
+c1cc(ccc1)-c2c(c(on2)C)COc3ccc(C(=O)NCCO)nn3	81
+c1cc(ccc1-c2c(n(nc2)CC(NCCO)=O)-c3ccc(cc3)C#N)C#N	271
+c1cc(ccc1C#N)CCCNCCO	132
+c1cc(ccc1OCCNCCO)C#N	132
+c1cc(ccc1C(=O)NCCO)[N+](=O)[O-]	93
+c1cc(ccc1CC2=C(C)C(=O)C(OC)=C(C2=O)OC)CCC(=O)NCCO	9
+c1cc(ccc1[N+]([O-])=O)CCNCCO	132
+c1cc(ccc1COc2cc(OCc3c4c(c(cnc4N)C(NCCO)=O)sc3)ccc2)Cl	2443
+c1cc(ccc1C2CC(CNCCO)CCC2)Cl	110
+c1cc(ccc1-c2cnnc(NCCO)c2)F	232
+c1cc(ccc1I)NCCO	3436
+c1cc(ccc1Nc2sc(C(c3cc([N+](=O)[O-])c(NCCO)cc3)=O)c(N)n2)N4CCN(CC4)C	205
+c1cc(ccc1[N+]([O-])=O)C(O)CNCCO	122
+C(NCC(O)c1ccc(nc1)Cl)CO	122
+OCCNC(=O)c1nc(c2c(c1O)cccc2)Cl	81
+c1ccccc1C(Nc2ccc(c(OCc3c4c(c(cnc4N)C(=O)NCCO)sc3)c2)C)=O	2443
+c1ccccc1COC(=O)NC(CC2CCCCC2)C(=O)NCCO	9
+c1ccccc1COc2cccc(c2)-c3c(NC(=O)CNCCO)cc(cc3)Cl	402
+c1ccccc1COc2c(CNC(=O)NCCO)cccc2	588
+Clc1cnc2nc(NCCO)c(Cl)nc2c1	464
+Nc1c(NCCO)nc(nc1Cl)C	40
+CC(C)(C)OC(=O)NCCOCCN	37
+CC1(C)CC(CCC1O)Nc2c(cnc(NCCc3c4c(n(C)c3)cccc4)n2)C#N	435
+c1(cc(F)c(cc1)F)CCNc2nc(OC)nc(Cl)c2	40
+N(c1c2c(sc(C)c2C)nc(n1)Cl)CCc3cc4c(OCO4)cc3	1108
+CC(NCCc1ccccc1Br)=O	206
+CC(C)C1C(C(NCCc2ccccc2Br)=O)CC(CC1)C	68
+FC(F)(F)C(NCCc1ccccc1Br)=O	659
+C(CCCC=CCN1C(=O)CCCC1C=CC(=O)CCCCC)(OC)=O	2444
+C(CN1C(=O)CCCC1C=CC(=O)CCCCC)#CCCCC(OC)=O	1278
+C(CN1C(=O)CCCC1C=O)#CCCCC(OC)=O	24
+c12nc(Cl)n(c1cccc2)CCOCC	1088
+COc1cc2OC(C3=C(CCN(CC(C)NCC)C3)c2cc1)=O	87
+N1(CCCC1=O)CCn2ncc([N+]([O-])=O)c2	2441
+CC(C)(C)c1nc(c(-c2ccnc(NCCN3C(=O)CCC3)n2)s1)-c4c(c(ccc4)NS(=O)(=O)c5c(F)ccc(c5)F)F	96
+c12c(cccc1NCCN3CCCC3CO)C(c4c(cccc4)C2=O)=O	205
+C1CN(CCO1)C(=O)c2ccc(s2)-c3nc(ncc3)NCCN4C(=O)NCC4	435
+C1CN(CCO1)c2ccccc2OCC(=O)NCC(O)CN3Cc4c(cccc4)CC3	271
+CC(C)(C)OC(N1CCC(CC1)n2ncc3cc(ccc23)OCC(NCC(O)CN4Cc5c(cccc5)CC4)=O)=O	271
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)O)ccn2)=O	14
+C(C(CNC(c1cccc([N+](=O)[O-])c1C)=O)O)N2CCc3ccccc3C2	14
+C(C(CNC(=O)c1cc(ccc1)Br)O)N2CCc3ccccc3C2	14
+C(C(O)CNC(=O)COc1cc(NC(=O)C)ccc1)N2CCc3ccccc3C2	9
+C1CC1COc2cc3cc(c(NCCNC(C)=O)nc3cc2)C=O	554
+c12ncc(CCc3c(C)cc(cc3)C(NCCNC(C)=O)=O)cc1c4ccc(C)cc4nc2N	93
+c1cc(ccc1)-c2nc(cc(Cl)n2)NCCNC(C)=O	40
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C(=O)NC(CCCNC(=O)N)C(=O)O	2445
+C1CC2(CCN1C(=O)c3cc(NC(=O)NCCC(=O)OCC)ccc3)CNC(=NC(c4nc(c(nc4N)N)Cl)=O)N2	30
+FC(F)(F)c1ccc(cc1)-c2c(cc(cc2)C(CCCCCC)Oc3c(cc(C(=O)NCCC(OCC)=O)cc3)F)C	20
+Fc1ccc(C#Cc2cc(C#N)cnc2)cc1CN(CCC#N)C	48
+FC(F)(F)C(=O)NCCNC	605
+c1cc(ccc1C=2N(C)CCN=2)N	5705
+c1ccccc1C(c2ccccc2)N(CCNC)C	1109
+c1cc(ccc1CN(CCNC)C)-c2cc(C)cc(-n3c(C)ccc3C)n2	48
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(nc5ccc4Cl)N6CCC(NCCC#N)C6	286
+C1CC(CCC1)CC(=O)Nc2c(ccc3nc(N4CCC(NCCC#N)C4)ccc23)Cl	286
+[nH]1c2cccc3C4=CC(CN(C)C4Cc(c23)c1)C(N(CC)CCC(OCC)=O)=O	3437
+C(CBr)N(CCBr)C(=O)OCC	66
+c1cc(ccc1N2CCNCC2)NC(=O)CCBr	765
+C(CC)N(CCC)C(=O)CC(C)=O	5706
+C(CN(CCC)CCC(=O)OC)C	3438
+CC(C)(C)OC(NC1=Nc2cc(Br)ccc2C=C(C(=O)N(CCC)CCC)C1)=O	3439
+FC(F)(F)c1cccc(CNC(=O)c2ccnc(-c3cc(ccc3[N+]([O-])=O)N(CCC)CCC)c2)c1	34
+C(CC)N(CCC)CCOCCc1ccc2c(ccs2)c1	123
+C(CC)N(CCC)CCCCc1c(OCCc2ccccc2)ccc(c1)Cl	53
+C(CN(CCC)CCCc1cc(ccc1OCCc2ccccc2)Cl)C	53
+C(CN(CCC)Cc1nc(sc1)-c2ncn3-c4c(c(c(cc4)F)Cl)C(N(Cc23)C)=O)C	2446
+C(CN(CCC)Cc1nc(-c2c3CN(C(c4c(c(ccc4-n3cn2)F)Cl)=O)C)no1)C	960
+C(CC)N(CCC)Cc1nc(sc1)-c2ncn3-c4c(C(=O)N(Cc23)C)cccc4	2446
+C(N(CCC=O)CCC)(Nc1nnc(SC)s1)=O	1110
+C(CCO)N(CCCn1c2c3c(cccc3)nc(N)c2nc1CCCC)Cc4cccc(CC(OC)=O)c4	131
+C1CC(CCC1COCCCCN(CCO)CCO)CN(C)C(Oc2ccc(cc2)Cl)=O	28
+C(CO)N(CCO)c1ccc([N+]([O-])=O)cc1C(NCCOC2CCCCO2)=O	34
+CC1(C)CC(CC(C)(C)N1O)OCC(O)CN(CCO)CCO	170
+CC1(C)CC2(OCCO2)CC(C)(C)N1c3nc(N(CCO)CCO)nc(n3)N4CCOCC4	436
+C(CO)N(CCO)c1c(cc(cc1F)C#N)F	34
+C(O)CN(CCO)CCCCc1ccc2c(nsc2c1)-c3ccc(cc3)Cl	123
+C(O)CN(CCO)CCCCOc1ccc(cc1)[N+]([O-])=O	28
+c1ccccc1SCCCN(CCO)CCO	53
+n1c2c(nn1-c3c(O)ccc(c3)CN(CCO)CCO)cccc2	131
+c1c2c(ccc1OCCCN(CCO)CCOC)c(Nc3cc([nH]n3)CC(Nc4cccc(c4)F)=O)ncn2	53
+CC(C)(C)OC(N(CCn1cnc(I)c1)CCOC)=O	23
+C(CNc1ccc(CC(=O)O)c(F)c1)CCCCCCCCCCCCCC	3
+CC(C)(C)[Si](C)(C)OCCNc1c2c(cccn2)ccc1	19
+FC(F)(F)c1ccc(cc1)C(=O)COC(=O)C(Oc2ccc(c(C(N)=O)c2F)F)CO	1231
+c1c(c(cc(c1Br)C#N)[N+]([O-])=O)N(C)C(C)CO	34
+c12c(cc(cc1)Nc3c4c(cccc4ncn3)OCC(NC)C)ccn2Cc5ncccc5	1111
+CC(C)(C)[Si](C)(C)OCCC(C)(C)CCO	19
+CC(C)(C)[Si](C)(C)OCCOCCC(C)(C)CCO	176
+c1cc(ccc1)[Si](c2ccccc2)(OCCC3(CCCCC3)CCO)C(C)(C)C	328
+CC1(C)OCC(O1)CCCO	1522
+CC(C)(C)c1c(O)c(c(c(C)c1)CC(=O)OCCCCCCCCCCCCCCCCCC)C	456
+C(c1cccc(F)c1)CC=O	24
+Nc1cc2c(cc1)N(CCC2)CCCN(CCO)C	0
+C(CO)N(CCO)c1c(F)cc(cc1F)C(=O)O	329
+c1(nc2c(s1)cccc2)Oc3ccc4c(CCO)coc4c3	1523
+CC(C)(C)[Si](C)(C)OC(Cc1ccc(s1)CCO)=O	5707
+C(COC(CCSc1n(-c2c(F)ccc(c2)F)nc(C(=O)OCC)c1)=O)(CCCC)CC	5708
+C(COC(CCSc1ccc2c(ccc3nnc(-c4ncccc4)n23)c1)=O)(CCCC)CC	1524
+C(COC(=O)OCI)NC(C)=O	5709
+c1cc(ccc1C(C2=C(C)NC(=C(C(=O)OCCC)C2c3c4OC(=CC(=O)c4ccc3)C)C)=O)F	5710
+C1COCCC1(C#N)c2nc(ccc2)Sc3cc4c(cc3)n5c(-c6ncccc6)nnc5cc4	5711
+C(COC(c1cncc(N)c1)=NC#N)C	5712
+C(CO[N+]([O-])=O)NC(=NC#N)c1cncc(N)c1	5713
+C1COCCN1c2c(F)cc(NN=C(C(=O)COC)C(=O)OC)c(c2)F	1894
+FC(F)(F)c1cccc(NN=C(C(=O)OC)C(COC)=O)c1	1894
+FC(F)Oc1c(cccc1)NN=C(C(=O)OC)C(=O)COC	1894
+O=C(C(=NNc1c(F)cc(cc1)I)C(COC)=O)OC	1894
+C(COC)(=O)Nc1cc(ccn1)Oc2c3c(c(cc2)N)cccc3	0
+CC(C)(C)OC(=O)N(CCOCCn1c2c(nc1CCOC)cnc3c2cccc3)C	546
+CC(C)(C)OC(=O)NCCCCn1c2c3c(cc(cc3)OCc4ccccc4)ncc2nc1CCOC	546
+CC(C)(C)c1cc(n(n1)-c2ccc(cc2)NC(CCOC)=O)NC(=O)Nc3ccc(cc3)Oc4ccncc4	26
+c1ccccc1COc2cc3c4c(cnc3cc2)nc(CCOC)n4C	546
+CN(C)CCCNC(CCOC)=O	5714
+C1N(c2nc3c(ncnc3cc2)N)CCCC1NC(=O)CCOC	9
+C1CC(CCC1C(=O)NCc2nccnc2Cl)NCCOC	87
+C1CC1NC(=O)Nc2c(Cl)cc(cc2)Oc3c4c(cc(c(C(=O)NCCOC)c4)OCCOC)ncc3	14
+C1CCCC1Oc2cc(c(F)cc2Cl)NC(=O)C=3CCCCC=3C(NCCOC)=O	3440
+C1CCN(C1)S(=O)(=O)c2c(c(cc(c2)C(=O)O)Br)NCCOC	60
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4c(nn(-c5c(F)cccc5C=NCCOC)c4)C	853
+C1COCCC1c2c3sc(NC(c4cc(ncc4)CNCCOC)=O)nc3c(OC)cc2	1279
+C1COCCN1c2cc(nc(n2)Cl)CNCCOC	294
+N1(CCC(CC1=O)NCCOC)C	5715
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3oc4NC(N(C)C(=O)c4c3-c5ccccc5)=NCCOC	5716
+c1cc(ccc1F)Cc2cnc3c(N(CCCP(OCC)(OCC)=O)C(=O)C(C(NCCOC)=O)=C3O)c2	1112
+FC(F)(F)c1nc(NCCOC)c(cc1)C=CC(NCc2cc(c(NS(=O)(=O)C)c(c2)C#C)F)=O	70
+Nc1ncc(C#N)c(NCCOC)c1	3441
+CC(C)n1c(ncc1-c2ccnc(Nc3ccc(cc3)S(=O)(=O)NCCOC)n2)C=O	3442
+c1c(Cl)c(c(cc1CCNC(C(c2ccc(cc2)O)O)C)Cl)NCC(=O)NCCOC	271
+c12CN(C(=O)c1cccc2[N+]([O-])=O)CCOC	854
+c12c(nc(nc1)NCCOC)nc(C)cc2	785
+c1cc(ccc1Oc2c([N+](=O)[O-])cc(cc2)Cl)C(=O)NCCOC	93
+O=S(=O)(c1cc2OC(CNCCOC)COc2c(c1)F)C	463
+c1cc(ccc1)CCCOc2cc(C(=O)NCC)ccc2-n3cc(C(=O)NCCOC)nn3	312
+c1ccccc1COC(=O)CN2C(=O)c3c(ccc(c3)N(CCNCCOC)S(=O)(=O)C)C2=O	132
+c1ccccc1Cn2c3nc(NCCOC)nc(N)c3nc2	96
+c1n2nccc2nc(c1)NCCOC	2447
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ccc(CNCCOC)cn4	249
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4n(c(cn4)CNCCOC)C	5717
+C1CN(CCO1)CCOc2c(cc3c(c2)c(c(cn3)C#N)Nc4c(cc(Cl)c(OC)c4)Cl)OCCOC	724
+CC(C)(C)c1nn(-c2ccc(cc2)COCCOC)c(NC(=O)Nc3c(F)cc(Oc4cc(ncc4)C)cc3)c1	5718
+CC(C)NC(=O)C1CCC(CC1)Nc2cc(ncc2[N+](=O)[O-])OCCOC	91
+O(C)CCOc1ccnc(Cl)c1	1895
+FC(F)(F)C1CCC(CC1)NC(=O)c2ccc(Cl)nc2OCCOC	91
+FC(F)(F)Oc1ccc(cc1)NC(c2cc(Br)c(nc2)OCCOC)=O	91
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3nc(cs3)C4=NOC(c5c(COCCOC)cccc5)C4	555
+O=Cc1ccc(OCCOC)cc1O	20
+c1(c(F)c(c(c(OC)c1)F)N2C(C3(CC3)c4c(cnc(c4)-c5c([N+](=O)[O-])cnn5CCOC)C2)=O)OC	2426
+c1cc(C(=O)O)cc([N+]([O-])=O)c1OCCOC	57
+c12c(O)c(C#N)cnc1cc(OCCOC)c(OC)c2	724
+c12c3c(ccc1cccn2)c(cc(C)n3)OCCOC	260
+c1(cc(ccc1F)Br)COCCOC	149
+c1cc(ncc1Br)OCCOC	5719
+O(CC)P(OCC)(=O)Cc1ccc(cc1)Cn2cnc3c(N)nc(nc23)OCCOC	482
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2)C)OCCOC	57
+c1ccccc1COc2cc(OCCOC)ccc2C=CC(=O)OCC	126
+c1ccn(c1)-c2cc(c(cc2OCCOC)N)[N+](=O)[O-]	556
+O=S(=O)(NC(c1ccc2n(c(-c3ccc4n(c5c(cccc5)c4c3)CC)nc2c1)CCOC)=O)C	258
+C1C(NC(c2nc(Cl)c(CC)[nH]2)=O)C(OCCC)CN(C1)c3cccc(c3)C(=O)OC	855
+c1cc(ccc1)COC(=O)c2cccc(c2)C#CCOCCOCCOCCOCCO	121
+C(COCC(=O)NCCOCCOCCOCCN)(=O)O	18
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(OCCOCC)=O	47
+C(COCCC#N)OCC	5720
+c1(cc(cc(C)c1-c2cc(COc3ccc(cc3)CCC(=O)OC)ccc2)OCCOCC)C	20
+n1(Cc2cccc(n2)COCCOCC)nnc3c(-c4oc(cc4)C)nc(N)nc13	1896
+C(COCCC(=N)NO)OCC	409
+C(OCCCl)CC(Cl)=O	130
+FC(F)(F)c1c(N)c(Cl)cc(N2CCOCC2)c1	386
+c1cc(ccc1)COc2cc(F)cc(C3(CCOCC3)C(=O)OCC)c2	5721
+C1COCCN1c2ccc(cc2)Nc3ncn(-c4ccnc(N5CC(C)N(C(C5)C)C(=O)C)c4)n3	386
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5c4cc(c(OCCOCCCl)c5)OC)C)C	72
+FC(F)(F)c1cc(ccc1C#N)N2C(N(CCCC(=O)NCCOCCOCC)C(C)(C)C2=O)=S	9
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCOCC(=O)N	83
+CC(C)(Br)C(=O)OCCOCCOCCN=[N+]=[N-]	5722
+O=S(=O)(OCCOCCOCCN=[N+]=[N-])C	7
+O(CC#C)CCOCCN	18
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCC#C)C	36
+C(OCC(=O)O)COCCNC(COCCOCCNC(CCCCCCCCCCCNC(=O)CI)=O)=O	1280
+c1ccccc1COCCOCCOCCOCCOCCOCCO	555
+c1ccccc1COCCOCCOCCOCCOCCOCCO	149
+C1C(CN1C(=O)CCOCCc2ccc3c(ccs3)c2)O	10
+c1cccc(C=Cc2cccn2CCOCCOCC)c1Cl	3443
+CC(C)(C)[Si](C)(C)OCCOCc1nccs1	19
+OC12C(C(CC=NOCCN)CC1)(C)CCC3C2CCC4C3(CCC(O)C4)C	410
+C(c1ccc2ncccc2c1)n3nnc4c3nc(C(=NOCCO)C)cn4	5723
+COCC#Cc1cc(F)c(Nc2c(F)c(ccc2C(=O)NOCCO)F)cc1	514
+c1cc(c(F)c(Nc2c(F)cc(cc2)C#CCOC3OCCCC3)c1C(=O)NOCCO)F	514
+C(CON=C(C(OCC)=O)C(=O)CCl)OCC	969
+C(CON=C(c1nc(sc1)NC=O)C(=O)OCC)OCC	1274
+N(C=O)c1scc(C(C(O)=O)=NOCCOCC)n1	3
+C(CO[N+]([O-])=O)NC(=NC#N)c1cncc(NC(C)=O)c1	308
+c1c(c(c(Cl)cc1)OCCC)CCN	5724
+C(OC)COc1ccc(CCl)cc1OCCOC	109
+C(COc1c(ccc(c1)OC)Br)C	65
+C(COc1cc(OC)ccc1C#N)C	160
+C(COc1c2c(ccc1)ccnc2Cl)C	174
+CC(C)(C)OC(=O)N(C)CC(COc1ccc(F)c(c1)Br)O	23
+C(COc1ccc(c(c1)O)C)C	606
+O=S(=O)(c1ncnc(c1)OCC#CC)C	3444
+c1c(C(OCC)=O)cc(c(Br)c1OCC)OCCC	116
+c1cc(ccc1C)S(=O)(=O)Nc2ccc(Oc3cc(c(cc3)[N+](=O)[O-])OCCC)cc2C(OC)=O	46
+O(C(CCCOc1ccc2nc(cc(c2c1)OCCCOc3c(nc(N)nc3N)CC)C)=O)CC	2448
+c1cc(ccc1N=Nc2cc(c(cc2C)N)OCC(CCCC)CC)CCCC	725
+C(COc1cc(N)c(C)cc1)C	0
+C(COc1ccc(C)cc1N)(CCCC)CC	0
+c1c2ncccc2ccc1OCCCNCC3Oc4c(OC3)ccc(c4)O	5
+c1c(C(=O)O)cccc1OCC(Nc2cccc(C#N)c2)=O	1
+C1(c2c(C(=O)N1CC(O)COc3cccc(C=O)c3)cccc2)=O	851
+C(Oc1cccc(N)c1)CN	15
+O=S(=O)(c1ccccc1)N2CCN(CC2)CCOc3cc(Nc4c5c(nc(C)c4)cccc5)ccc3	53
+C(COc1cccc2cc[n+](cc12)[O-])C	103
+C(COc1c2c(ccc1)cc[n+]([O-])c2Cl)C	375
+C1CCC(C1)NCCCOc2ccccc2NC(=O)c3cccc4[nH]ccc34	132
+S(Cc1nccc(OCCO)c1C)c2[nH]c3c(ccc(OC)c3)n2	602
+CC(C)(C)[Si](C)(C)OCCOc1c([N+](=O)[O-])c(cc(Cl)n1)N	19
+OP(O)(=O)COCCOn1c2c(nc1)c(ncn2)N	228
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(SCCC(OC)=O)cc3Oc4ccccc4)sc2	3445
+c1(c2[nH]c(C(=O)NC3Cc4ccccc4C3CSCCC(OC)=O)cc2sc1Cl)Cl	786
+c1ccccc1COc2c(cccc2CC(O)CSCCC(=O)OC)C3CCCC3	5725
+CC(C)(C)OC(=O)NC(C(=O)NCCS)C(C)C	5726
+CCOc1cccnc1CSCCN	3446
+CN(C)Cc1nc(CSCCN)ccc1	5727
+c12cc(C)ccc1N(CCCCCC)C(C(C3NCCS3)=C2OC)=O	5728
+c1cc(ccc1C2=NCCS2)CNS(=O)(=O)c3ccc(cc3)F	5729
+C12CC3(CC(C1)CC(C3)C2)CNC(c4c(Cl)ccc(c4)NCCNCCSC)=O	284
+CSCC(=O)NCCSC	9
+CC(C)(C)OC(n1c2ccc(cc2cc1C(=O)OCC)OCCSC)=O	20
+S(CCOc1c([N+]([O-])=O)cccc1)C	57
+c1nc(ncc1OCCSC)NC(=O)CCCCC	1897
+O=S(=O)(CCCl)CCC(NCCSC=C)=O	68
+c1(Nc2nccc(CSCCO)c2)cc(c(cn1)F)-c3c(OC)cc(cc3)F	346
+n1c(ncc(CC2=CC(=O)N(CCCC)C=C2)c1O)NCCSCc3nc[nH]c3C	1898
+N#CC(C#N)=C(NCCSCc1c([nH]cn1)C)SC	5730
+n1c(ncc(c1O)Cc2ccc(nc2)OC)NCCSCc3nc[nH]c3C	1898
+n1c(ncc(c1O)Cc2cc(ccc2)OC)NCCSCc3nccs3	1898
+C(CSc1ccnc(CSc2nc3ccccc3[nH]2)c1C)CCSCCn4c(cnc4C)[N+]([O-])=O	602
+C(CSc1c(c(ncc1)CCl)C)CCSCCn2c(cnc2C)[N+]([O-])=O	515
+c1ccc(cc1OCC)CCN	157
+c1cc2c(cc1CCN)NC(=O)C(C)O2	157
+C[Si](C)(C)OC(CCCC)(CC=C[Sn](CCCC)(CCCC)CCCC)C(F)F	2449
+C(CC[Sn](CCCC)(CCCC)C=CCC(C)(CCOC)O[Si](C)(C)C)C	2449
+C(CC)C[Sn](CCCC)(CCCC)C=CCC(CF)(CCCC)O[Si](C)(C)C	2449
+CCCC[Sn](CCCC)(CCCC)c1nccc(Cl)n1	5731
+c1(cccc(C)c1CNc2cc(Cl)nc(C#CC)c2[N+]([O-])=O)C	5732
+CCCC[Sn](CCCC)(CCCC)c1sccc1P(OCC)(OCC)=O	2450
+CCCC[Sn](CCCC)(CCCC)c1nccc(c1)OCC2CC2	3447
+C(C)CC[Sn](CCCC)(CCCC)c1sc(nc1)C2(CCC2)OCOC	5733
+CCCC[Sn](CCCC)(CCCC)c1sc(cc1)C2OCCO2	2450
+C(C[Sn](CCCC)(CCCC)c1oc(nc1)C(C2CCc3cc(ccc3C2)-c4ccccc4)O[Si](C)(C)C(C)(C)C)CC	5734
+CCCC[Sn](CCCC)(CCCC)c1nc(ccc1)OC(C)C	3447
+C(CC)C[Sn](CCCC)(CCCC)SCC	3448
+C(C[Sn](CCCC)(CCCC)c1c2ccc(cc2n(n1)C)Cl)CC	5735
+CCCC[Sn](CCCC)(CCCC)c1cn(-c2nc(C(F)(F)F)cc(-c3cc(Cl)c(Cl)cc3)n2)cn1	5736
+CCCC[Sn](CCCC)(CCCC)SC	3448
+C(CCC)[Sn](CCCC)(CCCC)c1cccnc1F	5737
+CCCC[Sn](CCCC)(CCCC)c1sc2ccccc2n1	5738
+C(C)CC[Sn](CCCC)(CCCC)c1ccc(F)cc1C#N	5739
+CCCC[Sn](CCCC)(CCCC)c1ccc(-c2ccc(cc2)OC)s1	2450
+C[Si](C)(C)CCOCn1cc(c2nc(-c3c4c(n(C)n3)cc(cc4)Cl)cnc12)C=O	5740
+FC(F)(F)c1nn(-c2cnc(cc2)S(=O)(=O)N)c(-c3ccc(cc3)-c4cscn4)c1Cl	5741
+CC(C)(C)[Si](C)(C)OC(C1Cc2ccc(Oc3ccccc3)cc2CC1)c4ncc(-c5nc(C(=O)OC)ccc5)o4	3449
+CC(C)(C)[Si](C)(C)OC(C1Cc2ccc(cc2CC1)-c3ccccc3)c4oc(-c5ncccc5)cn4	3449
+c1c(OC(Cc2c(C)ccc3c2cccc3)C)c([N+]([O-])=O)ccc1	57
+C(Cc1cc(N)ccc1Cl)(OCC)=O	0
+Clc1cccc(Cn2c(c(CC(OCC)=O)c3cc(OC)ccc23)CC)c1	962
+n1c2c(ccc1Cc3c4cc(C#N)ccn4c(c3C)CC(=O)O)cc(cc2)F	3
+CN(C)C=C(C(=O)OCC)c1ccc(cc1OC)C#N	5742
+n1ccc2n1c(Cl)c(c(n2)Cl)CC=O	465
+n1ccc2n1c(Cl)c(CCCO)c(n2)Cl	347
+c1(C=O)ccc2c(ccc(Cl)c2CC(OCC)=O)c1	3450
+c1cc(ccc1F)S(=O)(=O)c2c(cccc2)Cn3c(C)c(c4ccc(F)cc34)CC(=O)OCC	190
+c1c(OC)ccc2c(CCO)coc12	44
+c1c(c(ccc1C)[N+]([O-])=O)CC(=O)O	3
+c1(Cl)cc(CC(OCC)=O)c(cc1O)C	5
+CC(C)(C#N)c1cc(OC)c(OC)cc1	2451
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c3cc(CCC)cc(CCC)c3	92
+O(CC)c1cc(c(cc1)[N+]([O-])=O)CC(=O)OCC	57
+CC(C)(C)OC(=O)NC(C(N1CCN(CC1CC)C(Cc2ccc3ccccc3c2)C(OC)=O)=O)Cc4ccc(cc4)Cl	10
+O=C(Cc1cc(c(-c2ccc(cc2F)F)cc1)F)Cl	130
+CC(C)(C)C(NC(Cc1ccc(C)c(F)c1)=O)n2c3ccccc3nn2	5743
+CC(C)(C)OC(=O)Nc1ccc(nc1)CC(OCC)=O	970
+COc1ccc(c([N+]([O-])=O)c1)CC(=O)O	3
+C(Cc1ccc(N)cn1)(OCC)=O	13
+C(c1cccc(n1)N)CO	44
+C(c1cccc(n1)N)CS	1113
+CC(C)(C)OC(=O)N(CCc1ccccc1Cl)CCCSCCO	23
+O=S(=O)(c1ccc(cc1)F)NCCc2n(ccc2)C	71
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CCCCNC(CCc4cnccc4)=O	248
+c1cc(ccc1NCCc2cnccc2)[N+](=O)[O-]	60
+C(Cc1c(c(c2cc(C#N)ccn12)Cc3nc4c(cc3)cc(cc4)F)C)(OCC)=O	5744
+C(c1nc(Cl)ccc1)CO	44
+n1c(NC)cccc1CCO	44
+C(OC(=O)CNCCCc1nc(ccc1)Br)C	5745
+COc1nc(CCO)ccc1	44
+c1cc(ccc1CC(NCCN(C)C)=O)NC(=O)CCc2onc(n2)-c3cc4c(cccc4)cc3	33
+C(CCC)c1nc(nn1Cc2ccc(Br)nc2)CCCC	5746
+CCCCCCCCCCCCc1ccc(C(O)=O)s1	3451
+C1CCc2ccc(cc2-c3nc(NC(CCCCBr)=O)sc13)F	290
+c1ccccc1CNC(c2sc(NC(CCCCBr)=O)nc2C)=O	290
+c1(c[nH]c2c1cc(cc2)NC(CCCCC)=O)Cc3c(cc(cc3)C(=O)OC)OC	26
+c1cc(ccc1NC(CCCCC)=O)C(=O)OC	26
+c1ccccc1C2C(N(C(=O)CCCCC)C(O2)=O)C	1840
+C(c1sccc1)(CCCCC)=O	1808
+c1nc(ncc1OC)NC(=O)CCCCC	784
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(CCCCCl)=O	3308
+c1c2CCOc2ccc1C(CCCCCl)=O	94
+CC(C)C(NC(CCCCCl)=O)C(=O)OC	726
+o1c2c(c(c1C(CCCCCl)=O)C)cc(OC)cc2	5747
+C(CCCCCl)(c1cc(Cl)c(NC(C)=O)cc1OC)=O	94
+c1c([N+]([O-])=O)cc(NC(CCCCCl)=O)cc1C(=O)OC	26
+c1cc(ccc1C(OC)=O)-c2c(cc(NC(CCCCCl)=O)cc2)C	26
+c1ccccc1C(CCCCCl)=O	94
+O=C(NNc1ccc(cn1)F)N2C(C)CCCC2	2452
+n1n(c(C(N)=O)c(NC(c2ccccc2OCC=C)=O)c1CCC)C	3452
+S1c2cccc(c2C(c3c1ccc(C)c3)=O)C(=O)OCCCCCCCCCCCC	279
+CC(C)Oc1ccc(cc1)-c2ccc3oc(-c4cc(ccc4Cl)[N+](=O)[O-])nc3c2	2453
+CC(C)NC(=O)CNC(=O)c1cc(ccc1[N+]([O-])=O)F	5748
+C1CN(CCC1(CNC(c2ccccc2OC)=O)c3ccccc3)Cc4ccccc4	93
+c1(-c2ccccc2OC)nc3ccc(cc3c(O)n1)F	5749
+NC(c1sccc1NC(c2ccccc2OC)=O)=O	3453
+c1c(cccc1Nc2nc(ccn2)-c3c(-c4cc(NC(c5ccccc5OC)=O)ccc4)nn6ccccc36)F	50
+c1cnc(C(=O)c2ccccc2OC)n1CC(c3ccc(c(c3)Cl)Cl)CCOC4OCCCC4	5750
+c1c(CCC)c(c(C(N)=O)nc1)NC(c2ccccc2OCC)=O	660
+NC(=O)c1c(C)nn(CCC)c1NC(c2ccccc2OCCC)=O	330
+c1cc(ccc1C#N)CC(NC2CCN(CC2)C(CO)C)=O	3357
+c1(Cl)c(C(Nc2c(cc(C)cc2)O)=O)cc(Cl)s1	1899
+c1cc(ccc1OC)C(=O)c2c(Cl)c(C)ccc2	222
+n1cnsc1-c2nnc3CN(C(=O)c4c(c(Cl)c(F)cc4)C)CCn23	115
+c1(c(cccn1)C(=O)N)Nc2cc([N+]([O-])=O)ccc2	3454
+CC(C)(C)[Si](C)(C)OCc1ccc2c(nc(CN(C(=O)c3c(ccc(F)c3)F)CCC)n2CCC)c1	115
+COc1nccc(c1)NC(c2cc(ccc2F)F)=O	50
+C12CC3CC(C1)CC(C2)(C3)NC(=O)c4c(Cl)nc(cc4)Cl	1281
+FC(F)(F)C1CCC(CC1)NC(c2ccc(nc2Cl)Cl)=O	1281
+c1cc(c(Cl)nc1Cl)C(N(OC)C)=O	5751
+c1cc(ccc1C(N2Cc3ccnn3Cc4ccccc24)=O)NC(=O)c5c(c(F)ccc5)C	50
+N=1NC(=O)N(c2cccc(I)c2C)N=1	5752
+O=S(=O)(Nc1ccc(c(c1Cl)NC(c2c3c(c(Cl)ncn3)ccc2)=O)Cl)CCC	971
+O=S(=O)(CCC)Nc1c(F)c(NC(c2cccc3c2ncnc3Cl)=O)c(cc1)F	971
+C1CN(CCN1C(CCl)=O)C2CCC2	1227
+c1cc2c(cc1)N(CC3CCCCCN23)CC(N)=O	5753
+CC1(C)OCc2c(c3c(c(C(=O)N)sc3nc2N4CCCC4)N)C1	3455
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc3oc(C(=O)N)cc3c2	5754
+C(COc1cccc(N)c1)(N)=O	648
+c1ccccc1-c2c(c3c(nn(c3nn2)CC(=O)N4CCC(F)C4)I)Cl	3456
+[O-][N+](c1cc2nc(sc2cc1)SCC(N3CCCc4ccccc34)=O)=O	5755
+O=S(=O)(c1ccc2CCC(Oc2c1)CNCC(=O)NC)c3cc(ccc3)F	402
+c1(ccc(C(=O)NCc2c(OCC(=O)NC)cc(cc2)C#N)cc1C)F	648
+ClC(Cl)=C(Cl)c1cc(O)c(cc1)CNC(=O)CCl	3457
+c1cc(ccc1Cl)C(c2cn(c(C(=O)CCl)c2)C)=O	787
+CC(C)(C)c1cc2OC3(CCCCCC3)Cc2cc1OCC(=C)C	1282
+CC(C)C(O)(CC(C)=C)CCNC(c1ccc(cc1)Br)C	5756
+C(Oc1cccc(OC)c1I)C(=C)C	1282
+O(CC(=C)C)c1c(NC(C)=O)cccc1	1282
+O(CC(=C)C)c1c(C)c(C)c2c(c1)CCN2C=O	1282
+C1CCCC1C(C(OC)=O)c2ccc(cc2)OCC(=C)C	1282
+CC(C)(C)N1CC(C1)OCc2ccccc2	5757
+n1n(cc([N+]([O-])=O)c1)CC(NC(C)CO)=O	1114
+c1(c2cccnc2[nH]c1)CCCl	1283
+C1CC(CCN1CC(=O)c2ccc(c(F)c2)O)(O)c3ccc4CCOCc4c3	1498
+c1ccccc1COc2c(F)cc(C(=O)CCl)cc2	22
+n1ccncc1C(CCl)O	3458
+c12ccc(c(c1occ2CC(=O)O)Cl)O	5758
+c1ccccc1COc2ccc3c(c2)OC(C=C3CCl)=O	22
+c1nc(n2c1cncc2)CCCl	856
+CN(C)CCC(=O)Nc1cccc([N+]([O-])=O)c1	2454
+CC(C)(COC)C1N2C(=CC(C(C(OCC)=O)=C2)=O)c3cc(c(cc3C1)OCCC4CCCN4C)OC	72
+C1(CCCN1C)CCN2c3ccc([N+]([O-])=O)cc3OCC2=O	1525
+c1(OC)n(c2nc(nc(N)c2n1)OCCCC)CCCCl	637
+C1(C2(C)C(CC1)C3C(C4(C)CCC(CC4=CC3=NOCCCCl)OC(=O)C)CC2)OC(C)=O	1071
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(ccc(OCCCCl)c4)Cl	8
+n1n(C)c(OCCCCl)cc1C(=O)OC	5759
+CC(C)(C)NC(CN1C(=O)c2cc(ccc2C=C1c3cc(c(F)cc3)OC)OCCCN4CCCC4)=O	5760
+C1CC(CCN1CCCCl)n2ccc3ccccc23	28
+C1CN(CCN1CCCCl)C=O	28
+C1CN(CCN1CCCCl)Cc2ccc3ccccc3n2	28
+CC(C)(C)OC(=O)N1CCC(C1)N(CCCCl)c2cc(Cl)c(cc2)F	936
+CC(C)(C)OC(=O)N1CCN(CC1)CCc2ccc(cc2)OCCCCl	8
+CC(C)(C)c1nc(cc(C2CC2)n1)N3CCN(CC3)CCCCl	28
+CC(C)(C#N)CCCCl	2455
+CC1(C)C(N(c2c(N(C)C1=O)cc(OCCCCl)cc2)CC)=O	8
+C(Cl)CCN1CCCC1C	28
+c1cc(ccc1OCCCN2CCCC(C2)C)C=O	5761
+C(CCl)CN1C(=O)c2c(C(=N1)C)cc(OC)c(OC)c2	5762
+C(Oc1ccc(C(=O)C)c(C)c1)CCCl	8
+Cc1c2c(n(C)c1)C(CCN(C2=O)CCCCl)=O	3459
+c12c(nc(C)cc1)cccc2-c3nnc(SCCCCl)n3C	5763
+Cc1c(-c2nnc(SCCCCl)n2C)sc(C)n1	5764
+O=S1(=O)N(CCC(=O)c2n(C)ccc12)CCCCl	831
+c1(Cl)cccc(Cl)c1C(=O)NC(C(OC)=O)Cc2ccc(cc2)OCCCCl	8
+c1(cc(cc(F)c1OCCCCl)C(C)=O)F	8
+c1(cccc(-c2cnn(CCCCl)c2)n1)C(=O)OC	338
+c1(cccc(OCCCCl)c1)Br	8
+S(C)c1c2Sc3ccc(OC)cc3N(c2ccc1)CCCCl	2396
+c12cc(cc(c1c(ncn2)Nc3cc(Cl)c(F)cc3)OC4CCOC4)OCCCCl	8
+c1c(OCCCCl)c(cc(C(COC(C)=O)=O)c1)OC	8
+c1cc(OCCCCl)c(F)cc1Br	8
+c12c(cccc1)Oc3c(cccc3)N2CCCCl	2396
+c1cc(F)cc(N2C(SCC(=O)OCC)=Nc3scc(c3C2=O)-c4ccccc4OCCCCl)c1	8
+c1cc(ccc1)N2c3c(cccc3)CC(CCCCl)C2=O	5765
+c1ccccc1OCCCCl	8
+c1ccccc1SCCCCl	636
+c1cc(ccc1-c2n3c(ccn3)nc4CCCCCc24)OCCCCl	8
+c1cc(ccc1OCCCCl)C=C(C)C(OC)=O	8
+c1cc(ccc1CCCCN2C(CCC2)CN3C(=O)c4c(C(Cc5ccc(cc5)Cl)=N3)cccc4)OCCCCl	8
+c1cc(ccc1COc2c(cc(cc2)C(=O)c3cn(c4ccccc34)CCCC(=O)OCC)OCCCCl)C	8
+c1cc(ccc1F)-n2c(N)c(cn2)C(=O)c3cccc(c3)NCCCCl	601
+c1cc(ccc1OCCCCl)I	8
+c1cc(ccc1-c2ccc(cc2)OCCCCl)C(OC)=O	8
+c1cc(ccc1OCCCCl)-c2ccc(cc2C)C#N	8
+c1cc(ccc1C(N)=O)OCCCCl	8
+c1cc(ccc1OCCCCl)C(=O)OC	8
+c1cc(ccc1OCCCCl)NC=C2c3ccccc3NC2=O	8
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(c(cc45)OC)OCCCCl)C)C	8
+C(Oc1cccc(c1)C(=O)OC)CCCl	8
+c1(c(c2c(OCC(N2CCCCl)=O)cc1)F)F	727
+c1(Cl)c(CC)c(c2c(N(CCCCl)C(CO2)=O)c1)Cl	727
+CC(C)(C)c1cc2N(C(COc2cc1)=O)CCCCl	727
+CC(C)c1cc(c(C)cc1OC)C(CCCCl)C(=O)OC	434
+COc1cccc2c(C(=O)C)cn(CCCCl)c12	557
+FC(F)(F)c1cc(Cl)ccc1C(C(=O)OC)CCCCl	434
+C1COC(O1)(CCC#CCCCCl)C	5766
+O=S(=O)(c1ccc(c(F)c1F)F)CCCCl	2456
+O=S(=O)(CCCCl)c1cc(c(cc1)O)C(=O)O	5767
+C1(N(CCCCl)c2c(CC1)cc(F)c(F)c2)=O	727
+c1(F)ccc2N(CCCCl)C(COc2c1F)=O	727
+C1(CCc2c(ccc([N+]([O-])=O)c2)N1CCCCl)=O	727
+C1CSc2cc([N+]([O-])=O)ccc2N1CCCCl	2457
+C(Oc1cncc(Br)c1)CCCl	788
+c1cc(OCCCN2CCCC2C)c(F)cc1Br	72
+Clc1c(SCCCCl)c([N+]([O-])=O)ccc1	972
+c1cc(ccc1[N+]([O-])=O)SCCCCl	411
+c12cc(C3=CC4N(CCOc5cc(cc6cccnc56)OC)C(C3)CC4)ccc1cccc2	2430
+O=C(NCCn1ncnc1)N2C(=O)CCC2	3460
+N1(CCNC1=O)c2cccnc2	3461
+FC(F)(F)c1cc(-c2ccc(cc2)-c3cc(ccc3)S(=O)(=O)C)n(CC(OCSC)=O)n1	5768
+c1(c(NC(C)=O)ccc(c1)OCSC)[N+]([O-])=O	3462
+c1(C=O)cccc(OCSC)c1	3462
+c1(CC#N)c(Oc2cc(ccc2)F)cccc1	177
+c1ccnc(N)c1OCc2c(Cl)cccc2	1900
+c1cc(ccc1)C(Oc2cc(Cl)c(c(c2)Cl)OCc3ccccc3Cl)=O	139
+O(Cc1c(Cl)cccc1)c2c3n(ccc2)cc(C)n3	5769
+CC(C)(C)OC(NC1C(N(Cc2cnccc2)CC(O[Si](C)(C)C(C)(C)C)CC1)=O)=O	3463
+C1CN(CCN1Cc2cnccc2)c3nc(nc(NCCc4ccc(cc4)O)n3)N(C)CCCc5ccc(cc5)Cl	3464
+c1cc(ccc1-c2c(c(SCc3cnccc3)nc(c2C#N)N)C#N)OC4CCCC4O	5770
+n1c(SCc2cc(F)ncc2)c(ccc1)C(=O)O	3465
+C1CCCN1Cc2cnc3c(nc(-c4c(cccc4)[N+](=O)[O-])s3)c2	3464
+c1(C)scc(CSc2nc3c(c(n2)NC(C)CO)sc(N)n3)n1	5771
+Clc1c2c(nc(CCl)n1)cc(OCC)c(OCC)c2	64
+C(CSc1ccnc(c1C)CO)CCSCCn2c(cnc2C)[N+]([O-])=O	1105
+NCCn1c2c(cc(C(=O)N3C4C(CCCC4)CCC3)cc2)nc1	18
+c1c(CN)c2c(cc1)ccn2CC(=O)O	388
+C(Cn1c2c3c(cccc3)nc(N)c2nc1CCC)CCCC(=O)N	461
+C(Cn1c(nc2c[n+]([O-])c3ccccc3c12)CCC)CCCC(=O)N(OC)C	359
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)N(OC)C	164
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)O	3
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)N	728
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(O)cc4c(C(=O)C)c3	348
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(cc4c(C(=O)C)c3)C(=O)OC	348
+Nc1ncn(CCC#N)c1	1901
+CC(C)(C#N)c1cc(C)c(C(C)NC(=O)Cn2c3c(cccc3nc2)F)cc1	2458
+c1(C(O)=O)nn(CCCCC)c2ccccc12	1
+n1cc2cc([N+]([O-])=O)ccc2n1CC(C#N)(C)N	661
+O=C(OC)C(CF)(Cc1cc(ccc1)O)N	27
+c1cc(ccc1OCC(C(CF)(CF)C)=O)Cl	717
+C(F)C(CF)(C(=O)Cn1ncnc1)C	5772
+FCC(CF)(C)c1noc(N)c1	2459
+C1OC(OCC1CO)(CF)CF	1526
+c1cc(ccc1C)S(=O)(=O)OCCOCCF	36
+C1CN(CCN1c2n3c(ccc2)nc(c3)CN(C4c5c(OCC4)cccn5)C)C	1902
+c1c2n(c(c(n2)CN(C)C3c4c(CCC3)cccn4)Br)c(cc1)F	973
+C1CN(CCN1c2cccc3nc(CN(C)C4CCCc5c4nccc5)cn23)CC	1902
+c1c(I)cc2c([nH]nc2C(N(OC)C)=O)c1	184
+C(N(C)c1n[nH]c2ccc(N)cc12)C(NC)=O	0
+O=S(=O)(C)Nc1cc(cc(N(CCC)C)n1)C(OC)=O	5773
+s1c(N2C(O)CCN(CCC)C2=O)nnc1SC	1903
+c1cc(ccc1)CCN2C3C(c4cccc(OC(=O)N(C)C)c4CC3)CC2	5774
+Clc1cc(c(cc1)C(C2CC2C#N)=O)F	586
+FC(F)(F)c1cc(F)c(cc1)C(=O)C2CC2C#N	586
+N#CC1CC1C(c2ccc(cc2Cl)F)=O	586
+c1cc(ccc1Cl)S(=O)(=O)NC2CCCCC2C(N)=O	71
+c1ccccc1CNc2c(cnc(c2)Cl)CC(N)=O	105
+CC(C)(C)OC(NC(C1CCCCC1)C(=O)NC(C(=O)N)Cc2cnccc2)=O	207
+C(=O)(C(NC(C)=O)CSC)O	3466
+C(C)(c1ccc2N(C(Sc2c1)=O)COC)C(N)=S	199
+Clc1cc(ncc1)C(C)Nc2nc3c(o2)c(cc(c3)C(=O)OC)OC	1527
+CC(C)(C)OC(NC(C=1N=C2SC=C(C)N2C(=O)C=1Br)C)=O	5775
+CC(C)(C)OC(NC(Cc1ccccc1)C(=O)NC(CCCNC(N[N+]([O-])=O)=N)C(O)=O)=O	5776
+CC(C)(C)OC(NC(C(O)=O)CCl)=O	5777
+Oc1c(CNC(CO)C(=O)O)cccc1	1528
+O=S(=O)(c1ccccc1)NC(CO)C(=O)O	592
+CC(C)(C)OC(=O)NC(Cc1sccc1F)C(O)=O	403
+n1c(Nc2c(cccc2)OCCC)scc1C3=Cc4cccc(Cl)c4OC3=O	3467
+O(CCC#Cc1cccc(c1)NC(=O)N)CCCCCCBr	121
+C(N)(Nc1cccc(CC2CCCN2CC)c1)=O	5778
+CC(C)(NCC(F)(F)CN)C(=NO)CCn1c([N+]([O-])=O)ncc1	5779
+O=S(=O)(c1c(Cl)cc(cc1)Cl)NCC(O)CN	71
+C1CC(CCC1N(Cc2cc(OC)ccc2)C)N(c3cc(Cl)cc(C(NCC4=C(C)N(NC4=O)C)=O)c3C)CC	2460
+c1cc(ccc1)C=C(C)CNCCC2N(CCC2)C	5780
+C1CC(CCN1CCCN)(C(=O)OC)c2ccccc2	28
+C(c1ccc2OCOc2c1)NCCCBr	42
+CC(C)(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCCBr	1904
+c1ccccc1COC(NCCCBr)=O	101
+c1ccccc1NC(=O)NCCCBr	282
+n1c(c2c([nH]cc2)nc1Cl)NCCCCCN	974
+c1cc(ccc1NC(=O)NCCCCl)[N+](=O)[O-]	282
+c1ccc2Oc3c(cccc3)-c4c(-c2c1)c(sc4)COCCCN	649
+c1cc(ccc1-c2nc3cc(ccn3c2)NCCCF)OC	5781
+Fc1cccc(F)c1S(=O)(=O)Nc2c(ccc(-c3nc(sc3-c4ccnc(NCCCN5CCCC5=O)n4)C(C)C)c2)F	96
+c1cc(ccc1)-c2ccc3c(c(cnc3c2)[N+](=O)[O-])NCCCN4C(=O)CCC4	105
+FC(F)(F)C(NCCCNC)=O	605
+O=S(=O)(c1ccccc1[N+]([O-])=O)N(C)CCCN	92
+CCOC(c1cc(c(NCCCOC)nc1)[N+](=O)[O-])=O	70
+n1c(Cl)cc(nc1NCCCOC)Cl	96
+C(OC)CCNc1nccc(-c2nc3c([nH]2)ncc([N+]([O-])=O)c3)c1	70
+c1cc(ccc1)C(N(S(=O)(=O)c2ccc(cc2)Cl)Cc3ccc(cc3)C(=O)NCCCOC)CC	14
+c1cc(ccc1)COc2cc(c(Br)cc2C(=O)NCCCOC)OCc3ccccc3	14
+c1cc(ccc1CCNCCCOC)-c2nc(c(nc2)N)C(=O)Nc3cccnc3	285
+C1CN(CCO1)c2nc(c(-c3ccnc(NCCCSC)n3)s2)-c4cccc(NS(=O)(=O)c5c(cccc5F)F)c4F	96
+S(C)C(=C[N+](=O)[O-])NCCCSc1ncco1	3468
+c1nc(c[nH]1)CNC(c2sc(cc2)Cl)=O	227
+CC(C)Oc1cc(CCc2[nH]nc(c2)Nc3ccnc(n3)NCc4onc(c4)C)ccc1	96
+C1CC1c2sc3NC(=O)N(C(=O)c3c2)Cc4ccc(cc4OC)OC	5782
+CC(C)(C)[Si](C)(C)OCc1n(C)c2c(cc3C(CCCCc3c2)=NCc4ccc(OC)cc4OC)c1	1529
+CC(C)(C)[Si](C)(C)OCc1n(C)c2c(cc3C(CCCCCc3c2)=NCc4ccc(OC)cc4OC)c1	1529
+CC(C)(c1cc(NCc2ccc(cc2OC)OC)nc(C)c1)O	70
+c1cc(ccc1)C=Cc2nccc(-c3[nH]c(c(C(NCc4ccc(cc4OC)OC)=O)c3)C(C)C)c2	56
+C1(c2cc(CC)sc2NC(N1Cc3ccc(cc3OC)OC)=O)=O	5783
+c1ccccc1CS(=O)(=O)NCc2c(OC)cc(OC)cc2	111
+C(c1c(cc(OC)cc1)OC)Nc2nc3c(cc(F)cc3)nc2OC	1284
+c1ccccc1N2c3c(nc(NCc4c(OC)cc(OC)cc4)cc3)CN(Cc5ccccc5)C2=O	182
+c1cc(ccc1)COc2cccc(CS(=O)(=O)NCc3c(OC)cc(OC)cc3)c2	111
+c1cc(ccc1OCc2ccccc2)CS(=O)(=O)NCc3c(OC)cc(OC)cc3	111
+c1c(c(ccc1OC)CNc2ncc(cc2)F)OC	182
+[O-][N+](c1ccc2nc(ccc2c1)NCc3c(cccc3)OC)=O	554
+c1(ccccc1CNc2ccc3cc(ccc3n2)Br)OC	554
+C1CN(CCN2C(=O)C=Cc3ccc(C#N)cc23)CC(OC)C1NCc4ccc5c(n4)NC(=O)CO5	294
+C(N1C(=O)C=Cc2ncc(OC)cc12)CN3CC(CCC3)CNCc4nc5NC(=O)COc5cc4Cl	294
+C1CCCN(CC1)CCCOc2ccc(cc2)CCCCN3C(CN4C(=O)c5ccccc5C(Cl)=N4)CCC3	123
+C(CCC)N1C(=O)c2c(nc(C(N)=O)n2CC=C)N(C1=O)CCCC	5784
+CC(C)OC=1C=C(C)N(C(=O)C=1[N+](=O)[O-])CC(=O)OC	5785
+FC(F)(F)S(=O)(=O)OC=1C=C(C)N(C(=O)C=1[N+](=O)[O-])CC(=O)OC	5786
+C(N1C(C(O)(c2c(Br)cccc12)c3cc4c(cc3O)OCC4)=O)c5ncccc5	1115
+c1(CN2C(CN)CN(c3cc(cc(Br)c3)OC)CC2)ccc(OC)c(c1)OC	15
+C(c1ncccc1)N2C(=O)C(c3c(cc4c(CCO4)c3)O)c5c(Br)cccc25	462
+C(N1c2c(c(Br)ccc2)C3(COc4cc5c(cc34)CCO5)C1=O)c6ncccc6	20
+C(N1C(c2c(C(=C1)C(=O)OC)cc(c(c2)OC)Br)=O)C	1078
+OB(O)c1cc2C(=CN(CC)C(c2cc1OC)=O)C(OC)=O	5787
+C(C1=CN(C(c2c1cc(c(OC)c2)OCCc3nc4c(cc3)cccc4)=O)CC)(=O)OC	126
+CC(C)(C)OC(CC(C(O)CF)NC(C(C)N1C=CC=CC1=O)=O)=O	9
+C(CN1CCCC1C)N	51
+C(CN1CCCC1CO)N	51
+c1(cc(cc(F)c1-c2sc(Nc3nc(ccc3)CN4CCOCC4C)c(c2)C(=O)N)C(C)(C)O)F	2461
+C1c2cc(ccc2CCN(CCC)C1)CO	98
+C(N1c2cccc(-c3cnccc3)c2C4(COc5cc6c(cc45)CCO6)C1=O)c7ncccc7	305
+C(N1c2c(ccc(c2)-c3nc(cs3)C(=O)O)CC1)(Nc4sc5c(cccc5)n4)=O	6
+C1C(C(CN(CCN2c3cc(cc(F)c3C=CC2=O)F)C1)O)NCc4ccc5c(n4)NC(=O)CO5	294
+C1(=O)C(C(Nc2[nH]nnn2)=O)=Nc3c(cccc3)N1CCO	5788
+C(N1c2ccccc2N=C(C(Nc3[nH]nnn3)=O)C1=O)COC=O	5789
+c1cc(ccc1NC(NC(c2c([N+](=O)[O-])cccc2)=O)=O)Sc3ncc(cn3)Br	2462
+NCC1Cc2c(O1)c3c(c(c(nc3c(C)c2)O)C)C	18
+O=S(=O)(N1C(CC(F)C1)C(=O)NCc2ccnc(Br)c2)c3ccc(cc3)F	3469
+Cc1nc(sc1C(NCc2cnccc2)=O)-c3[nH]ncc3	3470
+COc1cc2c(C(CNC(C)=O)=O)cccc2cc1	155
+CC(C)n1nc(I)c(-c2nc(NCC(C)NC(=O)OC)ncc2)c1	96
+N(=[N+]=[N-])CC(NC(=O)OC)C	600
+C1CC1NC(Nc2ccc(cc2)-c3nc(N4C(COCC4)C)c5CN(C(=O)CCNC(N)=O)Cc5n3)=O	10
+c1cc(ccc1CCCN(CCNC(c2c(N)nc(N)c(Cl)n2)=O)C)OCC(OC)=O	28
+c1(NC(=O)CCNC(c2sc(cc2)Cl)=O)c(C(=O)OC)cc(N3C(=O)C=CC=C3)cc1	33
+[nH]1c(c(c2c1cccc2)CC)CNC	729
+C(C1=CC(C)(COC)Oc2ccc([N+]([O-])=O)cc12)(=S)NC	5790
+CC(C)(C)OC(N(C)Cc1ccccc1I)=O	23
+C(C1C(CC(O)C1)C(=O)N(CCCCC=C)C)(NC2(CC2C=C)C(=O)OCC)=O	10
+N1C(C2CC(CC2C(N(CCCCC=CC3C1(C(OCC)=O)C3)C)=O)OCOCC)=O	2463
+c1ncc2cc(Br)ccn12	1905
+CC(C)(C)OC(N(CCO)CC(O)c1cnc(Cl)cc1)=O	23
+C(c1cc2sc(NC(NCC)=O)nc2cc1)(=O)O	5791
+C(OC(N(CCCC)CCO)=O)C	66
+C(CCNC(c1ccc2ccccc2c1)=O)C=O	24
+CC(C)(C)OC(NC=1CC(C(N(CCCF)CCC)=O)=Cc2ccc(Br)cc2N=1)=O	3439
+c1ccccc1-c2ccc(cc2)C(NC(=O)CNC(NCCCNc3ccccn3)=O)CC#N	9
+c1cc(ccc1CN(CCCN2C(Nc3c(nc(nc23)OCCCC)N)=O)CCCO)CC(=O)O	48
+c1cc(ccc1OCC(O)CNCCNC(=O)Nc2ccc(O)c(F)c2)OCCOC3CCCC3	122
+C(NCCO)(c1c(Nc2c(cc(CC)cc2)F)cc(O)nc1)=O	1818
+c1cc(ccc1)CN2CCC(CC2)N(CCCO)CCO	85
+CC1(C)C(N(CC)c2ccc(CN(CCc3cccnc3)Cc4scnc4C)cc2N(C)C1=O)=O	48
+C(NCc1ccc(c(Cl)c1)Cl)(c2ccc(C(=O)O)s2)=O	6
+c1c(O)c(C=2OC(NN=2)=O)ccc1	5792
+c1(cc(ccc1)C#N)-c2nnc(o2)-c3cccnc3	5793
+CC(C)OC(=O)COc1ccc(c(c1C)NCc2cc(cc(OC)c2)-c3cccc(F)c3)C	52
+c1cc(c(c(F)c1OCC(OCC)=O)NCc2cc(OC)cc(-c3cc(F)ccc3)c2)F	52
+O=S(=O)(C)N(Cc1cccc(CC(=O)OC)c1)CCCc2c(C)nc(nc2NCCCCC)N	112
+c1cc(C)nc2NCC(Nc12)=O	1530
+CCOC(=O)CCCCCCCCCCCn1c(nc2cnc3ccccc3c12)CCC	730
+c1ccccc1-c2c3c(nccc3sc2)NCc4ncccc4	5794
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCC(=O)Nc4c(O)ccc(C)c4	1531
+C(Nc1cccc(N)c1)(C=C)=O	0
+c12cc(OC)cc(c1c(Nc3cc([nH]n3)CC(Nc4cccc(c4)F)=O)ncn2)O	5
+c1cc(ccc1)COc2cccc(CC(=O)Nc3ccc(c(c3)Cl)Cl)c2	22
+C1CN(CCC1)CCNc2ccc3c(COC3=C4C(=O)Nc5ccccc45)c2	53
+N(c1cc(NC(=O)C=C)ccc1)c2ncnc(n2)Nc3cccc(Cl)c3	360
+Clc1ccc2CCCN(c3nc(Nc4cccc(c4)NC(=O)C=C)ncn3)c2c1	360
+COc1cc(cc(OC)c1OC)Nc2ncnc(Nc3cccc(NC(=O)C=C)c3)n2	360
+C1COCCN1c2c(cc(cc2)Nc3nc(-c4cccc(NC(C=C)=O)c4)c5cnn(c5n3)C6CCCCO6)O	55
+O(n1nnc2c1cccc2)c3nc(c(cn3)C(=O)N)NCc4cnn(C)c4	1906
+C(Nc1nc(Cl)ncc1C(=O)O)c2cnn(C)c2	6
+CN(C)Cc1cc(Cc2c(NCCCCC)nc(N)nc2C)ccc1	171
+C(Nc1nc(N)nc(c1Cc2cc(CCl)ccc2)C)CCCC	109
+Clc1ccc2oc(nc2c1)NCC3N(CCCC3C)C(=O)c4c(ccc(C)c4)-c5cc(ncc5)C	30
+COc1cc(cc(OC)n1)CCc2[nH]nc(c2)Nc3ccnc(n3)NCc4onc(c4)C	349
+N1(CCl)CCC(O)N(c2sc(nn2)CC=C)C1=O	1903
+O=C(CCCCCC#C)O	3471
+C1(N(c2cccc([N+]([O-])=O)c2)C(CC1(CC)C)=O)=O	5795
+C(C)(Oc1c(Cl)cccc1)c2sc(nn2)N	1087
+n1ccc(O)c(c1)NC(c2nccnc2N)=O	1285
+c1cc(N)c(NC(c2nccnc2N)=O)cc1	466
+C1c2c(CN(C(c3c4ccccc4nc(-c5cc(ccc5)F)n3)=O)C1)ccc(OC)c2O	147
+c1cc(cc2nonc12)CN3C(N(CC3)c4nc(c(s4)C(=O)NCc5cnccc5)C)=O	454
+c1ccc2c(sc(c2C)C(=O)OC)c1	1532
+CC(C)NCC(OC(C(O)C(C(O)C(CO)O)O)=O)c1c(c(C)cs1)C	27
+C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O	10
+C(O)(C)Cn1c2c3c(CCCc3n1)cc(c2)O	3472
+c1cc(ccc1)COc2cc3CCCc4c3c(n(n4)CC(C)O)c2	22
+c12c(c(c(C(CCC=C)=O)cc1ccn2C)C=C)F	155
+c1cc(ccc1OCCO)CC(NCC(c2cccc(n2)Cl)O)C	87
+n1oc2c(c1CCO)cccc2	21
+O=S(=O)(N1c2c(CC1)cc(cc2)-c3nc(NC(Cc4cc5c(OCO5)cc4)=O)sc3C)c6ccccc6[N+]([O-])=O	373
+C1C2(CC1)CN(c3c2cccc3)C(Cn4c(Cl)c(c5ccc(Cl)c(F)c45)Sc6c(F)c(C(OCC)=O)ccc6)=O	429
+c1nc(ncc1)N2CCN(CC2)C(Cn3c(Br)nc(Br)c3Br)=O	10
+n1c2c(c(O)nc1)cc3OCOc3c2	1116
+COc1c(Br)cc(c(OC)c1C(=O)O)Cl	662
+CC(C)(C)OC(N1CCN(CC1)C(=O)c2c3c(ccc2OC)cc(cc3)-c4cccc(OC)c4)=O	30
+c1(OC)c(c2c(cc1)cc(-c3cc(ccc3)OC)cc2)C(=O)NC	14
+C1C(CN1CCO)Oc2nc3c(cc(cc3)C#CC(C)(O)c4cc(on4)C)n2-c5nc(N)ncc5	5796
+c1c(ccnc1-n2nc(c3c2CCCC3)C(N)=O)C#CC(C)(O)c4cc(on4)C	1243
+c1c(cc(C(CCC)=O)c(F)c1)Br	155
+c1c(cc(F)c(C(CCC)=O)c1)Br	155
+Cc1c2ccc(C#CC(O)(C)c3cocn3)cc2n(-c4ccnc(N)n4)n1	5797
+C1(N(c2ncnc(OCC#CC)c2F)CC(C)CCC1)C	1470
+C(COc1cc(SC)ncn1)#CC	1470
+c1cc(ccc1OC(OCC(NC)=O)=O)[N+]([O-])=O	3473
+C1CN(CCC1COc2c3c(Nc4ccc(c(Cl)c4)O)ncnc3ccc2)C(CO)=O	10
+C1CC(CCN1C(CO)=O)c2c3CC(C)Oc3c(Nc4nc(Nc5ccccc5S(=O)(=O)C(C)C)ncn4)cc2C	731
+n1c2ccc(OCC)nc2n(C)c1CO	5798
+c1(C(=O)NCC2N(CC2)C(=O)CO)cc(F)c(nc1NCCc3cccc(F)c3)-c4cnn(C)c4	731
+c12c(cc(cc1)Nc3c4c(cccc4ncn3)OCC(C)N(C(=O)CO)C)ccn2Cc5ncccc5	731
+c12cc(cc(OCC3CC(CN3C(=O)CO)O)c1c(ncn2)Nc4cc(Cl)c(F)cc4)OC	10
+c1cc(ccc1-c2c(cc3c4nnc(CO)n4ccc3n2)-c5ccccc5)C6OCCO6	5799
+c1cc(ccc1)C(Nc2cncc(c2)Br)CNC(CO)=O	9
+n1c(c2cc(n(Cc3cc(Cl)ccc3)c2nc1SC)CC)OCC(OC)=O	3474
+FC(F)(F)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3cccc(COCC(=O)OC)c3	1907
+O(CC(=O)OC)c1ncc(Br)cc1[N+](=O)[O-]	2464
+O(CC(=O)OC)c1ncccc1[N+](=O)[O-]	2464
+c1([N+]([O-])=O)ccc(nc1)OCC(OC)=O	2464
+c1cc(ccc1)-c2c(Cn3c(cc4c3nc(nc4OCC(=O)OC)SC)CC)cccc2	3474
+c1cc(ccc1F)NC(=O)c2ccc(OCC(OC)=O)nc2	5800
+C=C(C)COc1cc(ccc1[N+]([O-])=O)F	5801
+C(O)C(CO)(C(OC)=O)c1cc(-c2nc3cc(C(=N)N)ccc3[nH]2)c(c(-c4cc(CN)ccc4O)c1)O	107
+OCC(CO)(c1cc(-c2c(O)ccc(CN)c2)c(O)c(c1)-c3[nH]c4cc(ccc4n3)C(=N)N)C(=O)O	4
+C(O)C(CO)(C)Nc1nc(nc2nc(OC)sc12)SCc3c(c(F)ccc3)F	5802
+C(O)C(CO)(Nc1c2SC(=O)Nc2nc(SCc3c(c(F)ccc3)F)n1)C	5803
+C(O)C(CO)(C)Nc1nc(nc2c1sc(n2)Cl)SCc3c(c(F)ccc3)F	5804
+C1(=O)COCC(c2cc(Br)cnc2Cl)(CO)N1	467
+O1CC(COC1(C(=O)OCC)C)CCC=C	5805
+c1cc(ccc1C)S(=O)(=O)OCC(CO)CCOc2ccc(cc2)Br	36
+C(O)C(CO)Cc1ccc(cc1)-c2ccc(cc2)O	16
+C(O)C(CO)Nc1nc(-c2cc(NC(C)=O)ccc2)c3c(N(C(C=C3)=O)c4ccc(cc4F)F)n1	198
+C(OC1COCC1Oc2c(OC)ccc(C(=O)O)c2)C	5806
+CC(C)=CCCC(=CCCC(=CCCCOCC(CO)O)C)C	1117
+c1(c(cc2c(nccc2)c1)[N+]([O-])=O)OC	5807
+CC(C)CCCC(CCCC(C)=CCCCOCC(CO)O)C	1117
+c1cc(ccc1C(=O)Nc2ccc(cc2)Cl)C3OCC(CO3)SC(C(Cn4cncn4)(c5c(F)cc(F)cc5)O)C	5808
+c12ccccc1-c3c(cccc3)C2COC(=O)NC(CO)(C(O)=O)C	5809
+CN(C)C(CCCC#Cc1cc(C(=O)NC(CO)C)ccc1)=O	10
+C1CCN1C(=O)c2cc(F)c(Oc3cc(cc(c3)OC(C)CO)C(=O)Nc4nn(C)cc4)cc2	46
+c1(cc(Oc2c(cc(cc2)C(=O)OCC)F)cc(OC(C)CO)c1)C(=O)Nc3ccn(C)n3	46
+C1N(CC1)C(c2cnc(Oc3cc(cc(C(OC)=O)c3)OC(CO)C)c(Cl)c2)=O	136
+O=S(=O)(C)OCC(C)(c1c(F)cnc(Br)c1)O	7
+C1(NC(C)(COC1)c2cc(ccc2)Br)=O	467
+O=S(=O)(C)OCC1C(C2(C(COC(C)=O)CC(CC2)OC(C)=O)C)CCC3(C)C(C(OC(C)=O)CC13)=C	7
+CC(C)(C)[Si](C)(C)OCC1CC(CC1CC)=O	19
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(O2)c(ccc3)Br)C	36
+c1cc(ccc1S(=O)(=O)OCC2Cc3cc(cc(c3O2)F)Br)C	36
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(=O)OCCC)n2)c1	204
+c1(c[n+]([O-])ccc1OCCC)C	857
+c1ccccc1C(N)CC(OCCC)=O	27
+c1cc(ccc1-c2cnc(C)c(C(OCCC)=O)c2)Cl	342
+c1cc(ccc1-c2scc(CSc3nc(c(c(c3C#N)-c4ccccc4)C#N)OCCC)n2)Cl	91
+c1cc(ccc1OC(C(=O)OCCC)C)N(c2nc(Cl)c3cc(ccc3c2)Cl)C	5810
+C(COC(c1cncc(N)c1)=N)C	5811
+CC(C)(C)[Si](C)(C)OCCC(CC(=O)OC)C	19
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCOCC4CCO	85
+O=S(=O)(OCCC1n2cc(I)cc2C(=O)NC1)C	7
+CC(C)(C)C1OCCC(O)C1	5812
+O=S(=O)(C)OC1CC(c2cc(Br)nn2C)OCC1	5813
+c1(CN2N=C(OCCC=C)C=CC2=O)cc(ccc1)C(=O)OC	5814
+c1cc(ccc1C2OCCC(O)C2)Cl	5815
+c1(O)c(Cl)ccc(OCCCBr)c1C(=O)OC	5816
+C1CN(CCC1c2c3c(cc(F)cc3)[nH]n2)CCCO	28
+C1CC1c2c(cc3nn(c(C(=O)NC)c3c2)-c4ccc(cc4)Br)N(S(=O)(=O)C)CCCO	1233
+C1CN(CCN1C)CCCO	28
+C1CN(CCN1CCCO)C(C)=O	28
+CC(C)(C)C(=O)OCN1C=Nc2cc(c(cc2C1=O)OC)OCCCBr	126
+CC(C)(C)OC(=O)N1CC(COCc2ccc(cc2)OC)N(c3ccc(cc3)OCCCO)CC1	8
+CC(C)(C)OC(=O)NC(Cc1cccc(OCCCO)c1)C2OC(=O)N(Cc3cc(ccc3)C(C)C)C2	8
+CC(C)(C)OC(NC(CCSCCCO)C(OC(C)(C)C)=O)=O	965
+CC(C)(C)c1cc(ccc1)OCCCO	8
+CCCCCCCCCCCCSCCCO	965
+Cc1c(-c2sc(c(C#N)c2-c3cccnc3)SC)cc(cc1)Nc4cccc(OCCCO)c4	8
+N(c1c(C)cccc1Cl)CCCO	601
+O=Cc1c(OCCCO)cc(c(-c2cccs2)c1)OC	8
+O=S(=O)(N)c1cc(C(=O)OCCCO)c(NCc2ccco2)cc1Cl	1908
+O=S1(=O)N(c2ccccc2N1CCCBr)c3ccccc3C	1909
+O=S1(=O)N(c2ccccc2N1c3ccc(cc3C)F)CCCBr	1909
+c1(c(Cl)nc(CCCC)[nH]1)C(OCCCBr)=O	1910
+Fc1ccccc1COCCCBr	149
+c1cc(Br)nc([N+]([O-])=O)c1OCCCBr	1286
+n1(nc(c(c1Br)[N+](=O)[O-])Br)CCCO	338
+c1(cc(cc(C)c1OCCCO)C=O)C	8
+C(Oc1cccc(c1)CC(OC)=O)CCBr	20
+c1c(nc(cc1)C(=NOCCCO)C)C	1071
+c1ccccc1C(c2ccccc2)CN(Cc3c(Cl)c(C(F)(F)F)ccc3)CCCO	28
+O=S(=O)(C)N(c1cc2oc(-c3ccc(cc3)F)c(c2cc1Br)C(=O)NC)CCCO	1233
+c1cc(ccc1OCCCO)-c2cn3cc(ccc3n2)Br	8
+c1cc(ccc1CC(OC)C(OCC)=O)OCCCBr	20
+c1cc(ccc1Cc2c(NCCCCC)nc(N)nc2C)OCCCO	8
+c1ccccc1C2(CCN(CC2)CCCO)c3ccccc3	28
+c1cc(ccc1)C(CCCO)c2c(C)c(c(c(C)c2OC)C)OC	5817
+c1cc(ccn1)SCCCO	636
+C1CC(CCC1N2c3c(c(nc(n3)N)C)C=C(C(OCCCC)=O)C2=O)O	5818
+C1CC1CN2C(=O)c3ccc(cc3C(OCCCC)=C2C(OCC)=O)Br	5819
+C1CCCC(n2cnc3c2nc(nc3N)OCCCC)O1	482
+C(Oc1cc[n+]([O-])c(c1C)C)CCC	857
+N#Cc1cnc2c(cc(OCCCC)c(c2)OCCOC)c1Cl	126
+O(CC1OC1)CCCC	649
+O=Cc1cc(O)c(OCCCC)c(Cl)c1	20
+c1cc(ccc1Cl)-c2oc(-c3cscc3)c(CC(OCCCC)=O)n2	27
+C1CC1c2cc(c(OCCCC(=O)C)nc2Cl)C(=O)N	91
+FC(F)(F)c1ccc(cc1)-c2csc(CCCO)n2	963
+n1cc(cnc1-c2ccc(cc2)C=CCCCO)OCC	858
+c1cc(ccc1Cl)-n2nc3cc(c(cc3c2C(=O)NC)C4CC4)N(S(=O)(=O)C)CCCC=C	1909
+C(O)CCCCCc1cc2c(cccc2)nc1	3475
+CCCCCCCNCCCCCO	15
+C(O)CCCCCSc1nc2ccccc2[nH]1	2465
+c1cc(ccc1N(CC)CCCCCCO)Br	936
+C(CCCC)CCOC1CCC(=O)N1	1515
+C1CCC(C1)C2N(c3ccc(C#N)c(Cl)c3)N=C4C2CCc5cc(C(OCCCCCCC)=O)ccc45	47
+FC(F)(F)c1cc(C(=O)O)ccc1OCCCCCCC	57
+Fc1cccc(F)c1C(Nc2ccn(Cc3ccc(cc3Cl)OCCCCCCCO)n2)=O	8
+c1ccccc1OCCCCCCCO	8
+C1CC(CCN1C(CCc2nccn2CC(=O)OCCCCCCCC)=O)N(C)C	456
+C(CCOc1ccsc1)CCCCC	5820
+O1CCOC12C(C(C#N)CC2)CCCCCCCO	381
+c1c(COCCCCCCCCO)cc(F)c(c1)F	149
+c1c(c(C#N)c(cc1)[N+](=O)[O-])OCCCCCCCCO	1118
+C(O)CCCCCN=[N+]=[N-]	558
+C(O)CCCCCOc1ccc2cc(ccc2c1)C(=O)O	72
+c1ccccc1N(C)CCCCCCO	5821
+c1cc(ccc1C=O)OCCCCCCO	5822
+c1cc(ccc1OCCCCCCO)C=CC(=O)O	72
+CC(C)(C)OC(=O)NCCCCCCO	37
+[N-]=[N+]=NCCCCCC=O	24
+c1cc(ccc1C)S(=O)(=O)OCCCCCCN=[N+]=[N-]	36
+c1cc(ccc1C(OCCCCCCOC(=O)C(C)=C)=O)OC(=O)C=Cc2ccc(cc2)OC	47
+C(OC(C=C)=O)CCCCCOc1cc2c(cc(cc2)C(O)=O)cc1	2466
+c1cnccc1OCCCCCCSc2[nH]c3c(cccc3)n2	2467
+C(CCCCl)CCc1cc2c(cccc2)nc1	221
+c1cc(ccc1Cl)-c2c(OCCCCCO)ncc(c2)C(=O)NC3CCCCC3O	89
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCCO	53
+c1(c(cc(OC)c(COCCCCl)c1)F)F	555
+c1c(c(Nc2cc([N+]([O-])=O)c(cc2)C(=O)c3c(C)ccc(OCCCO)c3)ccc1F)F	72
+c1cc(ccc1)C=2c3ccccc3C(N(CCCO)C=2)=O	5823
+c1cc(ccc1OCCCO)C(c2c[nH]c3c2cccc3)=O	72
+c1cc(ccc1O)SCCCO	1107
+c1cc(ccc1SCCCO)NC(=O)C	1107
+c1cc(ccc1-c2c(C)c(C(=O)OCC)nn2-c3ccc(Cl)cc3Cl)OCCCF	20
+c1cc(ccc1[N+]([O-])=O)OCCCI	20
+CC(C)(C)c1ccc(cc1)NC(=O)NCCCO	282
+C[Si](C)(C)OCCCN	19
+Cc1nc(Cl)c(c(NCCCO)c1C)[N+]([O-])=O	105
+Clc1c(Cl)cc(c([N+](=O)[O-])c1)NCCCO	205
+c1(C)c(NCCCO)nc(Cl)nc1	40
+C(O)CCNc1c(F)cnc(Cl)n1	40
+FC(F)(F)CCS(=O)(=O)CCCNCCCO	284
+FC(F)(F)c1cccc(Nc2nc(NCCCO)nc3n(CC)cnc23)c1	96
+FC(F)(F)c1ccc(cc1)C(NCCCO)=O	93
+OCCCNCCC#N	1287
+O=S(=O)(NC(C)CNCCCO)c1ccccc1[N+]([O-])=O	285
+N(CCCO)c1c([N+]([O-])=O)cccc1Cl	205
+c1c([n+](ccc1)[O-])NCCCO	1911
+c1ccccc1-n2c3ncnc(NCCCO)c3nc2-c4ccccc4	516
+c1cc(ccc1)CC(C)(N(C)C)C(c2ccc(cc2)NCCCO)=O	60
+c1ccccc1COC(NCCCO)=O	101
+c1cc(ccc1)COc2c(OC)cc(cc2)Cc3nc4c(ccc(NCCCO)c4)c5nc(nn35)N	5824
+c1cc(ccc1C#N)NCCCO	60
+c1cc(ccc1COC(NCCCO)=O)[N+]([O-])=O	101
+c1cc(ccc1-c2nc3CN(C)Cc3c(N4CCOCC4C)n2)NC(=O)NCCCO	238
+O=S(=O)(Nc1ccc(NCCCO)c([N+]([O-])=O)c1)c2ccc(cc2)NC(C)=O	60
+c1ccccc1COc2ccc(cc2)-c3n(CCCO)c(C)cc3	3476
+C(O)CCNc1nccc(Cl)n1	96
+C(CCN(C)c1c(cnc(Cl)n1)F)Oc2cc3c(n(CC(OC)=O)cc3)cc2	20
+c1cc(ccc1C)S(=O)(=O)OCCCN=[N+]=[N-]	36
+CC(C)(C)OC(=O)N(CC)CCCO	23
+CC(C)(C)[Si](C)(C)OCCCNc1nc(Cl)ncc1F	19
+n1c(NCCCOc2cc3c(cc2)n(cc3)C(C(OC)=O)C)c(cnc1Cl)F	126
+n1c(nc(cc1)Oc2ccc([N+]([O-])=O)cc2F)NCCCO	185
+c1cc(ccc1Oc2ccnc(NCCCO)n2)[N+]([O-])=O	185
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2nc(nc(OCCCO)c2Oc3ccccc3OC)N4CCOCC4	145
+CC(C)OCOCCCO	433
+C[Si](C)(C)CCOCn1c(cc2c1cc(c(-c3ccc(cc3)-c4ccccc4)n2)Cl)OCCCO	5825
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)OCCCO	5826
+C1OC(CCC1)OCCCO	219
+O=S(=O)(c1cccc2cnccc12)Oc3cc(C)cc(OCCCO)c3	126
+O=S(=O)(c1c(OC)cccc1)Oc2cc(C)cc(OCCCO)c2	126
+O=S(=O)(c1cc(Cl)ccc1OC)Oc2cc(cc(C)c2)OCCCO	126
+O=S(=O)(Nc1cc(O)c(cc1)C(OCCCO)=O)c2cc(c(Cl)s2)-c3cccc(OC)c3F	1533
+C1OC2(OCC1)C(Nc3c2cc(cc3)S(=O)(=O)N4CCCC4COC)=O	5827
+O=S(=O)(Oc1cc(C)cc(c1)OCCCO)c2cccc3nsnc23	126
+O=S(=O)(c1c([N+]([O-])=O)cccc1)Oc2cc(C)cc(c2)OCCCO	126
+C1OC(OCC1)c2ccc3c(c(Cl)n[nH]3)c2	5828
+c1c2c(c(ncn2)O)ccc1OCCCO	724
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCO	604
+n1cc(C#N)ccc1OCCCO	91
+C(OC)CCOc1cc[n+]([O-])c(c1C)C	857
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4cc(ccc4Cl)OCCCSCCCO	1105
+c1cc2c(c(SCCCO)c(C#N)cn2)cc1I	1275
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCCO	5829
+CC(C)(C)[Si](C)(C)OCCCc1ncsc1	19
+C(CF)Oc1ccc(cc1Cl)F	20
+n1cc(cnc1OCCF)C#Cc2ccc(cc2)C(C)C(=O)NCC	482
+c1ccccc1COC(N(CCO)C2CCC(CC2)N(C)C)=O	5830
+c1cc(ccc1)N(C(C)C)CCO	2457
+c1c(cc(C)cc1)C#Cc2nc(C)n(C3=CC(=O)N(CCO)C=C3)c2	3477
+c1cc(ccc1OCCN(c2sccn2)C)C=O	57
+O=S(=O)(C)OCCN1CC(C(N=[N+]=[N-])CC1)O	7
+FC(F)Oc1c(Cl)c(-c2c(Cl)cc(Cl)c(C(=O)OCCN3C(=O)CCC3)c2)nn1C	279
+N1(CCCC1=O)CCOc2cnc3c(n2)ccnc3Cl	1534
+C(CO)N(C)CCOC	28
+C1(CCc2c(ccc([N+]([O-])=O)c2)N1CCCN(CCO)C)=O	53
+C1COCCC1Nc2c3c(n(nc3)CC)nc(c2CNC(=O)c4ccc(cc4)CCCCCCCCN(CCO)C)CC	28
+CC(C)(C)OC(=O)N1CCC(c2cc(nc(N(CCO)C)c2)Cl)=CC1	43
+CC(C)(C)[Si](C)(C)OCCNC	19
+CC(C)(C)c1ccc(cc1)C=2N(C)N(c3ccc(cc3)C#N)C(=O)C=2C(=O)N(C)CCO	3478
+CC(C)(C)c1nnc(NC(=O)N(C)CCO)s1	1110
+c1(Cl)ccccc1CNC(=O)N(C)CCO	384
+C1CC1C(=O)c2cnc3c(c2NC4CCC(CC4)CN(C)CCO)cc(cc3)Br	123
+C(O)CN(C)c1n(C)ncc1[N+](=O)[O-]	959
+c1c(cc(c(c1)N(C)CCO)[N+]([O-])=O)Br	34
+c1cc(ccc1)CN(Cc2ccccc2)c3ccc(CN(CCO)C)nc3	315
+c1cc(ccc1CN(C)CCO)C(OC)=O	131
+c1cc(ccc1NC(c2cc(Br)c(nc2)N(C)CCO)=O)OC(F)(F)Cl	43
+c1ccc2nc(N(C)CCO)sc2c1	1912
+c1cc(ccc1)C(=O)N(CCO)C	3479
+c1ccccc1C(c2ccccc2)(CN)CN(C)CCO	5831
+c1ccccc1C2Oc3c(CC2)c(cc4nc(C)n(CCOC)c34)C(N(C)CCO)=O	30
+c1ccccc1COc2cc(cc3nc(n(CCOC)c23)C)C(N(CCO)C)=O	30
+c1ccccc1N2N(C(=C(C(Nc3ncc(Oc4ccnc(NC(=O)N(C)CCO)c4)cc3)=O)C2=O)C)C	437
+c1nc(ncc1)N(C)CCO	117
+C(COC(=O)OCCl)NC(C)=O	405
+c1ccccc1COC(=O)NC(Cc2c[nH]cn2)C(=O)N3C(CCC3)C(NCCO)=O	5832
+CC(C)CC1N(C(C)(C)OC1)C(=O)c2cnc(OCCNC(CC)=O)c(-c3ccc(cc3)Cl)c2	91
+c1cc(ccc1)-c2csc3nc(nc(NCc4ncccc4)c23)N5CCCC(C(NCCO)=O)C5	117
+C1CN(CCC1NC(=O)c2cnc(-c3cc(F)ccc3)cc2)c4ccc(C(=O)N(CCO)CC)cn4	211
+CC(C)(N(CC)CCO)C#C	5833
+FC(F)(F)c1ccc(cc1)S(=O)(=O)NC2CCC(CC2)CCCCCN(CC)CCO	28
+c1cc(ccc1[N+]([O-])=O)OCCNCC	57
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4ccc(cc34)-c5ccc(cc5CN(CC)CCO)F)N	48
+C(O)Cn1ncc(C(OCC)=O)c1N	3480
+CC(C)(C)c1cc(n(CCO)n1)N	5834
+n1cc2c(n1CCO)CCCC2=O	3481
+C(O)Cn1ncc(C#N)c1N	5835
+O=S(=O)(c1ccc(cc1)Cl)N2C3Cc4c(cnn4CCO)C2CCC3	5836
+CC(C)(C)C#Cc1cc(Cl)ncc1NCCO	1243
+C(COCCNc1n[n+]([O-])c2ccccc2n1)N=[N+]=[N-]	600
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(=O)CCCSCCO	1105
+CC(C)(C)OC(=O)N1CCc2cc(SCCO)ccc12	607
+CC(C)(C)OC(N1CCC(CC1)Nc2c(ccc(c2)[N+]([O-])=O)SCCO)=O	972
+Cc1nc(SCCO)ccc1[N+]([O-])=O	3482
+c1(OC)cc(cc([N+]([O-])=O)c1)SCCO	607
+c1c(OC)ccc2ncc(SCCO)nc12	3483
+c1c2c(ccc1OC)ncc(SCCO)c2	3445
+c1ccccc1-c2c(SCCO)c3c(ccc(c3)F)nc2CC	1275
+C1CN(C2=CC(OCCc3cc(c(Oc4cc(F)c(Cl)cc4)cc3)F)=NC(N2C1)=O)C	2468
+c1cc([N+](=O)[O-])c2ccccc2c1OCCc3c(cncc3)N	20
+C(O)Cc1ccncc1N	13
+c1(c(ccs1)CCO)Br	407
+c12ccn(CCOC(=O)C)c1cccc2	152
+O=S(=O)(C)OCCn1c2ccccc2cc1	7
+Nc1c(C#N)cnn1CCCl	1883
+C(O)Cn1ncc(C(=O)O)c1N	6
+Clc1[nH]c(-c2cccnc2)nc1CO	844
+C1OC(CCC1)OCc2c(Br)cccc2Cl	219
+O=Cc1cc(c(cc1Cl)OC)Br	39
+C1OC(CCC1)OCc2c(Cl)cc(c([N+]([O-])=O)c2)C	219
+O=Cc1cc(ccc1Cl)CCNC(C)=O	39
+CC(C)(C)OC(=O)N1CC(N(C(OCc2c(c(ccc2F)Br)F)=O)CC1)CC	2469
+ClCc1c(F)ccc(I)c1C	109
+C1CN(CCN1c2ccc(cc2CO)[N+]([O-])=O)C	34
+Cc1c(C(=O)OCC)c2n(c(cc(C)c2)OCc3c(F)cccc3Cl)n1	3484
+Clc1cnc(c(c1CCl)Cl)N	5837
+c1(CO)c(sc(c1C)C)Br	407
+O=Cc1c(ccc(C)c1C)[N+]([O-])=O	39
+C(OCc1c(ccc(CBr)c1)Br)OC	433
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1[N+]([O-])=O)OC	19
+c1ccccc1COc2c(cc(cc2)[N+](=O)[O-])CO	22
+CC(C)(C)[Si](C)(C)OCc1c(OC)cccc1Br	19
+CC(C)(C)[Si](C)(C)OCc1c(nnc(C(=O)OC)c1)OC	19
+CC1(C)C(C(OCc2c3c(ccc2)-c4c(cccc4)CCC3)=O)C1C=C(F)F	204
+O=Cc1ccc(Cl)c2c1n3CCCN(c4ccc(cc4C)C(=O)N)c3n2	200
+CC(C)(C)OC(=O)n1c(cc2c(cccc12)OCc3c4c(oc3)cc(F)cc4)C(OCC)=O	5838
+c12ccccc1nccc2CCl	109
+c1(F)cc([N+]([O-])=O)cc(CO)c1NC	60
+FC(F)(F)c1cc(OCc2cc(ccc2O)F)c(cc1)C(Nc3ccnc(c3)O)=O	57
+COc1c(cc2c(c1)ncnc2Nc3cccc(Cl)c3F)CCl	109
+c1c2c(ccc1F)cc(CCl)c(Cl)n2	5839
+O=Cc1c2nc(oc2c(cc1)Br)C	200
+CC(C)(C)OC(=O)N(C)Cc1ccc(c(c1)F)CO	23
+O=Cc1ccc(N)cc1Cl	39
+CC(C)(C)OC(=O)NCC(=O)Nc1ccc(c(Cl)c1)CO	33
+c1cc(ccc1)OC(=O)Nc2cc(F)c(cc2)CO	90
+c1ccccc1COc2cc(Cl)c(CO)cc2	22
+C(O)c1ccc(N)cc1F	0
+O=Cc1c2c(nn(C)c2)c(F)cc1	39
+O=S(=O)(OCc1ccc(C(OC)=O)cc1C)C	7
+c1cc(CCl)c(C)cc1F	109
+c1ccccc1COc2cc(c(cc2)CO)C	22
+C(O)c1ccc(CNC)cc1F	370
+NC1=C(NCCCOc2cc(CCl)ccc2)C(=O)C1=O	109
+c1(ccccc1Cl)Cn2cc(-c3nccc(c3)C=O)nc2	39
+COc1cc2c(ccnc2cc1)CCl	438
+OB(O)c1ccc(cc1C2CCCC2)OCc3ccccc3	1913
+C(C)OB(OCC)c1c(OC)cc2CCCc2c1	5840
+OB(O)c1cc2c(CCC2)cc1OC	1913
+c1ccccc1COc2c(cc(B(O)O)c(OC)c2)CC	1913
+CC(C)c1c(B(O)O)ccc(c1)OCc2ccccc2	1913
+C1CN(CCC1)C(=NC#N)CC#N	5841
+C(OCC)(Cc1cc(C)c(-c2cc(ncc2)C)nc1)=O	5842
+CC(C)(C)c1ccc2c(c(C(=O)OCC)cnc2c1)O	975
+CC(C)COc1ccccc1-c2ncc(c(O)n2)C(OCC)=O	5843
+O=C(OCC)C(C(=O)OCC)=CN1C(C)(C)Cc2c1cccc2	5844
+O=C(OCC)C(C(=O)OCC)=CNc1ccnn1CC	2470
+CCOC(=O)C=1C(N(NC=1)c2ccccc2OC)=O	5845
+C1(N2C=C(c3ccc([N+]([O-])=O)cc3C2=NC=C1C(=O)OCC)C)=O	5846
+C(C)OC(=O)C(C(OCC)=O)=CNc1c(C)cc(cc1)OC	1535
+C(C)OC(=O)C(C(OCC)=O)=CNc1cccc(Br)c1	1535
+C(C)OC(c1c(O)c2ccc(cc2nc1)F)=O	975
+c12c(c(cnc1cc(c(OC)c2)F)C(=O)OCC)O	975
+O=C(OCC)C(C(=O)OCC)=CNc1cc(C)nn1-c2ncccc2	2470
+C(C)OC(=O)C(C(=O)OCC)=CNc1ncnc2c1cccc2	2470
+C(OCC)(=O)C(C(OCC)=O)=CNc1ccccc1I	1535
+c1c(c(c(Cl)cc1)Cl)Cc2ccc3c(c2)c(c(cn3)C(=O)OCC)O	975
+c12cc(ccc1ncc(c2O)C(=O)OCC)C(=O)c3c(c(OC)c4ccccn34)C	975
+c1cc2c(c(c(cn2)C(=O)OCC)O)cc1I	975
+C1COCCN1c2ccc(cc2)NC=C(C(OCC)=O)C(OCC)=O	1535
+C(C)OC(=O)C(C(OCC)=O)=CNc1ccc(cc1)OC	1535
+c12cc(OC)ccc1ncc(c2O)C(=O)OCC	975
+c1ccccc1-c2nc(O)c(C(OCC)=O)cn2	5847
+C(OCC)(=O)C(C(OCC)=O)=CNc1cnc(NCc2ccccc2)cc1	5848
+c1ccccc1Oc2cc3c(c(C(OCC)=O)cnc3cc2)O	975
+c1c(CN2C(C(=C(c3cccn23)O)C(OCC)=O)=O)cc4c(cccc4)c1	3485
+C1(C(C(OCC)=O)=C(O)c2cccn2N1Cc3c(F)cccc3)=O	3485
+C(OC(=O)C(C(OCC)=O)c1c(cc(C)c(N)c1)Cl)C	2471
+c1(C)c(N)cc(c(Cl)c1)CC(OCC)=O	976
+C(C(OC(=O)C(C)=C)C)C1OC1	553
+c1(c(cc2n(C3C(O)C(C(C3)COC(=O)C)O)c(nc2c1)Br)Cl)Cl	59
+c1ccccc1COC(=O)Nc2ccc3CC(C(OCC)=O)C(Nc3c2)=O	90
+C(C)(=O)NC1CC(C(=O)O)C(CC)C1	3
+CC(C)(C)OC(=O)N1C(Cc2c(ccc([N+](=O)[O-])c2)C1)C(=O)OCC	663
+C(C)OP(OCC)(=O)CCCN(C(=O)CC(=O)OCC)c1cc(Cc2ccc(cc2)F)cnc1C(=O)OCC	5849
+c1cc(ccc1Cc2cc(NC(CC(OCC)=O)=O)c(nc2)C(=O)OCC)F	5850
+c1cc(ccc1C(=O)c2ccc(cc2)NC(=O)CC(OCC)=O)Cl	3486
+c1(Oc2cccnn2)cc(C)c3c(B(OC3CC(=O)O)O)c1	3
+CN(C)c1nccc(n1)Oc2cc3c(C(OB3O)CC(OCC)=O)c(C)c2	117
+C(OC(=O)CC1OB(c2c1c(C)cc(Oc3cccnn3)c2)O)C	1288
+C(OC(=O)CC1OB(c2c1c(Cl)cc(OC)c2)O)C	65
+C(C1OB(c2cc(cc(C)c12)O)O)C(=O)O	3
+C(OC(=O)CC1OB(c2c1c(C)cc(Oc3nnc(cc3)Cl)c2)O)C	1119
+C(OC(=O)CC1OB(c2c1c(C)cc(Oc3ccnc(n3)Cl)c2)O)C	185
+CC(C)Oc1cc(cc2B(OC(CC(OCC)=O)c12)O)Oc3nccnc3	313
+C(COCCCl)C(=O)O	3
+C(OC(=O)CCOCCCl)C	221
+CC(C)(C)OC(N(CCCc1nc(ccc1)Br)CC(=O)OCC)=O	663
+c1(cccc2N(CCCc12)C(=O)CCCOc3cc(c(Cl)cc3Cl)Cl)-c4cnn(c4)CC(OCC)=O	20
+CC(C)c1c(O)nnc(Sc2c(Cl)cc(cc2Cl)NN=C(C#N)C(=O)NC(OCC)=O)c1	3487
+C(C(=NNc1c2c(OC(C2)C)c(Cl)cc1)C(=O)NC(OCC)=O)#N	3487
+C(OC(Nc1nc2n(n1)c(Br)cc(C)c2)=O)C	977
+C(OC(Nc1nc2n(cc(Oc3cc(C)cc(NC(c4cc(nn4C)C)=O)c3)cc2)n1)=O)C	977
+C1CCN2C(C(=C(c3ccncn3)N=C2C(N)C1)Br)=O	3488
+C(OC(=O)NC1C2=NC(c3ccncn3)=C(C(N2CCCC1)=O)Br)C	3489
+c1-2c(c(ccc1NC(n3ncnc-23)=O)Br)F	5851
+O=S(=O)(C)Nc1ccc(F)c(NC(OCC)=O)c1	80
+C(OC(=O)Nc1c(F)ccc(N)c1)C	0
+CC(C)(C)c1ccc(cc1)NCc2ccc(NC(=O)OCC)c([N+](=O)[O-])c2	608
+c1c2c(ccc1O)c(NC(OCC)=O)cs2	5
+C(OC(=O)Nc1ccc2C(C)=NCCc2c1)C	1120
+O=S(=O)(C)OCCc1cc(ccc1)NC(OCC)=O	7
+c1cc(ccc1C=2C=CC(N(Cc3cc(NC(OCC)=O)ccc3)N=2)=O)C#N	5852
+C1N(CCC1COC(=O)Nc2ccccc2Br)C	113
+C(OC(=O)OCCC(O)C)C	100
+c1cc(ccc1)C(OC(C)CCOC(OCC)=O)=O	279
+C(C)OC(c1c2c(c(ncn2)O)[nH]c1C)=O	5853
+c1cc(ccc1-c2noc(COC(=O)C)n2)CN(C3C(NCCCC3)=O)S(=O)(=O)c4ccc(cc4)Cl	1289
+c1cc(ccc1C2(CC3CC2CC3)c4ccc(cc4)-c5nc(on5)COC(=O)C)OCc6ncccc6	859
+C(OC(C)=O)C(N1C(c2ccc(C)c(N)c2C=C1)=O)C	0
+C1CCCC(CC1)(O)CC(Nc2c(C)ccc3c2C=CN(C(C)COC(C)=O)C3=O)=O	33
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c3c(C(N(C(C)COC(C)=O)C=C3)=O)ccc2C	33
+FC(F)Oc1c(cc(F)c(c1)N2NC3=C(CCCC3)C2=O)Cl	5854
+n1c(nc2c(CCCC2)c1O)C	3490
+c1(nc(c2c(CCCC2)n1)O)N	3491
+c1cc(ccc1)C2=CCN(CCCc3nc4CCCCc4c(O)n3)CC2	3492
+s1c(C2C(C(=O)O)C2)ccc1CCCC	3
+CC(C)(C)OC(N1C2C(CC(C1C(OCC)=O)C2)O)=O	663
+c1n(c2ncccc2n1)-c3ccc4C(C(OCC)=O)CC(=O)c4c3	3493
+C(N(OC)C)(=O)C1CC1C#N	978
+c1ccccc1C(c2ccccc2)N3CCN(CC3)C(C4CC4C(OCC)=O)=O	10
+c12nn(C)cc1c(ccc2)C3C(CO)C3	44
+C(C1CCC(=CC1)CCCCC)(=O)O	3
+c1ccccc1COC(=O)N2C(C(=O)N)CC(C(OCC)=O)CC2	1827
+C(C1Cc2c3cc(OC)ccc3[nH]c2C1)(=O)NCCC	271
+COc1cc2c3c([nH]c2cc1)CC(C(=O)NC)C3	271
+CC(C)(C)OC(=O)NC(C(=O)N1C(CC)CCC1C(=O)OCC)CC(C)C	478
+C1(CCC(c2cc(F)cnc2)N1)CO	44
+CC(C)(C)OC(=O)N1CC(C(=O)OCC)NCC1	23
+COc1cccc2n(CCF)c3c(C(C(=O)O)CCC3)c12	3
+C1CC(CCC1)Oc2c3c(nc(C)c(C(=O)OCC)c3N)ccc2	979
+C1CC(CCC1Oc2cccc3nc(C)c(C(=O)OCC)c(N)c23)CNC(COC)=O	979
+C1CC(CCN1C(=O)CC)COc2cccc3nc(C)c(C(=O)OCC)c(c23)N	979
+C1CC(CCN1C(C(C)C)=O)Oc2cccc3c2c(N)c(C(=O)OCC)c(C)n3	979
+O=C1CC(C)=NN1c2ccc3CCCc3c2	5855
+CC(C)(COc1cccc2nc(C)c(c(N)c12)C(OCC)=O)C(NCc3cccc(OC)c3)=O	979
+CC(C)(C)CCc1c2c(c(C(=O)OCC)c(nc2ccc1)C)N	979
+CC(C)(C)OC(=O)N1CCCN(c2nc3c(C=C(C(C)=O)C(=O)O3)cc2)CC1	5856
+CC(C)c1c(C(=O)OCC)c([nH]c1)C	5857
+CC(C)C(=O)NC1C(CCCC1)Oc2cccc3c2c(c(C(=O)OCC)c(C)n3)N	979
+Cc1nc2c(c(N)c1C(=O)OCC)c(cs2)-c3cc(ccc3)OC	3494
+Cc1cc(cc(C)c1-c2c(C)nn3c2N=C(C)CC3=O)Cl	1085
+Clc1ccc(c(Cl)c1)C2NC(c3ncccc3F)=NC(C)=C2C(=O)OCC	5858
+Clc1cccc(CCC(=O)CC(OCC)=O)c1	5859
+Clc1cccc(-c2noc(C)c2C(=O)OCC)c1	3495
+FC(F)(F)COc1nn2c(c1)N=C(CC2=O)C	1085
+FC(F)(F)c1cc2c(cc1OC)c(c([nH]2)C(=O)OCC)C	5860
+FC(F)(F)c1cccc(NC(=O)CC(=O)C)c1	3496
+FC(F)(F)c1cccc(c1)NC(=CC(=O)OCC)C	3497
+FC(F)(F)c1cc(N2C(=O)NC(c3ccc(cc3)C#N)C(C(OCC)=O)=C2C)ccc1	3498
+N#Cc1ccnc(c1)N2N=C(CC2=O)C	2472
+c1(cc(O)nc(C)n1)C	3305
+C(C)OC(C1=C(C)N=C(NC1c2ccc(cc2Cl)F)c3nccnc3)=O	5861
+c1(c2c(ccc(c2nc(c1)C)F)F)O	2473
+n12c(cc(C)n1)NC(C)=CC2=O	5862
+C1=CSC2=NC(C)=CC(N12)=O	5863
+C1=C(N=C2N(N=C(S2)SCCCCCC)C1=O)C	5864
+c1(ccc(cc1Br)F)C2NC(c3sc(OC)cn3)=NC(C)=C2C(=O)OCC	5865
+O=S(=O)(Nc1c(ccc(C)c1Cl)Cl)c2nc3n(C(=O)CC(C)=N3)n2	3499
+Cc1nc2scc(C)c2c(N)c1C(=O)OCC	3494
+Clc1cccc(Cl)c1NS(=O)(=O)c2nc3N=C(C)CC(n3n2)=O	3499
+c1(C)[nH]c2ccccc2c1C(=O)OCC	5866
+c1ccccc1C=2c3ccccc3C(=O)N(C=2C=CC(CC(=O)CC(=O)OCC)O)C	1536
+c1cc(ccc1)NC(=O)CC(=O)C	3496
+c1cc(ccc1Cl)-c2c3n(C(=O)CC(=N3)C)nc2-c4c(cccc4)Cl	1085
+c1(nc2ccc(cc2c(c1)O)Br)C	2473
+c1cc(ccc1C(c2ccc(cc2)F)=C(C=CC(O)CC(=O)CC(OCC)=O)c3n(nnn3)C)F	1536
+c1cc(ccc1Cl)C(=O)CC(C(=O)OCC)C(C)=O	3500
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(n3nnnc3)C=CC(CC(=O)CC(OCC)=O)O	1536
+c1cc2nc(C)cc(c2cc1I)O	2473
+c1cc(ccc1CC(C(OCC)=O)C(=O)C)[N+]([O-])=O	1251
+c1cc(ccn1)C(NC2CCC(CC2)COc3cccc4nc(C)c(C(=O)OCC)c(c34)N)=O	979
+c1(C)c(cccc1)NC=C(C(OCC)=O)C(CCC)=O	5867
+C1(=C(CCC)Nc2c(C1c3cccc(C)c3Cl)c[nH]n2)C(=O)OCC	3501
+C1(=C(CCC)Nc2c(C1c3cccc(c3Cl)C#N)c[nH]n2)C(=O)OCC	3501
+C1C(CC1CC#N)C(CC(OCC)=O)=O	3502
+C1COCCC1Nc2c3c(nc(CC)c2CNC(CC(=O)OCC)=O)n(CC)nc3	5868
+C1CC1C(CC(OCC)=O)=O	1914
+C1CCCC1C(CC(OCC)=O)=O	3502
+CC(C)(C)OC(N1CCC(CC1)C(=O)CC(OCC)=O)=O	1914
+CC(C)(C)OC(=O)NC(C(CC(OCC)=O)=O)C	1914
+CC(C)(CCC)CC(CC(OCC)=O)=O	1914
+CC1(C)NC=2N(C(=O)CC(=O)N=2)CC1	5869
+FC(F)(F)COc1cc(C(=O)CC(OCC)=O)ccc1Cl	980
+c1(F)cccc(F)c1C(=O)CC(OCC)=O	980
+C(C(c1cc(F)c(cc1F)C=2CCN(C(C)=O)CC=2)=O)C(OCC)=O	980
+c1(cc(c(c(C)c1F)Br)F)C(CC(OCC)=O)=O	980
+C(OC(CC(c1c(c(c(c(c1)C)F)[N+]([O-])=O)Cl)=O)=O)C	980
+C(OC(CC(c1ccc(Br)c(C)c1F)=O)=O)C	980
+c1c(F)c(cc(C(=O)CC(OCC)=O)c1)OCC	980
+c1c(cc(c(c1)C(CC(OCC)=O)=O)C)Br	5870
+c1ccccc1-c2ccc(cc2)NC(=O)CC(=O)OCC	3503
+c1cc(ccc1NC(=O)C)C(=O)CC(OCC)=O	980
+FC(F)(F)c1ccc(cc1)-c2nc(c(C)s2)CC(OCC)=O	5871
+c1cc(ccc1-c2nc(c(o2)C)CC(OCC)=O)F	3320
+C(C(C)(CCO)O)CCCCC	44
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(N4C=CC(=O)NC4=O)CC(=O)OCC	604
+N(C(CCC)CC(OCC)=O)c1cc(C)ccc1[N+]([O-])=O	60
+c1c(OC)ccc2c(c(C(CC(=O)O)CCCC)sc12)C	3
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(=O)CC(c3cc(-n4cnnn4)ccc3)=O)=O	3504
+c1(C(NC(C)=O)CC(OCC)=O)cccc(F)c1	68
+c1ccccc1C(CC)C(NC(CC(OCC)=O)c2cc(ccc2)[N+](=O)[O-])=O	68
+c1cc(ccc1)C(NC(c2cc([N+]([O-])=O)ccc2)CC(=O)OCC)=O	93
+c1(c2NC(=CC(=O)n2nc1N)c3cc(F)ccc3)-c4ncccc4	1915
+c1ccc2c(sc(n2)N3NC(c4cccc(I)c4)=CC3=O)c1	1916
+C1CC(CCC1c2c3c(ncc2)ccc(F)c3)CC(=O)OCC	191
+C1C(CC(=O)O)CC(C)CC1	3
+CCOC(OCC)COc1cc2c(C(CC(=O)OCC)CC2)cc1	8
+C(OC(CC1c2c(cc(cc2)OCCc3nc(Cl)ccc3)CC1)=O)C	126
+FC(F)(F)c1c(nc(NCCCOc2ccc3c(CCC3CC(OCC)=O)c2)cc1)Cl	126
+C(OC(CC1c2c(cc(cc2)OCCCNc3nc(Cl)ncc3C)CC1)=O)C	20
+c1cc(ccc1)-c2oc(c(C)n2)CCOc3ccc4c(CCC4CC(OCC)=O)c3	20
+C(OC(CC1c2c(CC1)cc(cc2)O)=O)C	5
+CCOC(CC1CCc2cc(OCCCOc3ccc(-c4nc(co4)CC)cc3OC)ccc12)=O	8
+CCOC(CC1CCc2cc(OCCCOc3ccc(cc3OC)C#N)ccc12)=O	8
+C(OC(CC1c2c(cc(cc2)OCCCN(CCC)c3c(C)cnc(Cl)n3)CC1)=O)C	3505
+c1cc(c(C)nc1C)OCCOc2cc3CCC(CC(=O)OCC)c3cc2	981
+c1cc(ccc1OC)CNc2cccc(C#CCCC(=O)OCCCC)n2	769
+C1COC(O1)(CCC(OCC)=O)C	381
+CC(C)(CC)NN=C(CCC(OCCCC)=O)C	3506
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cc(-c3c(cccc3NC(CCC(OCC)=O)=O)C)ccc2)c(SC)s1	26
+C(C(c1c(ccc(C)c1)OC)=O)CC(OCC)=O	94
+C(CC(=O)O)C(c1cccc2OCOc12)CCCCC	3
+O(CC)C(=O)C(C=O)CC1=CC(=O)N(CCCC)C=C1	5872
+CC(C)(C)[Si](C)(C)OC(C=CC1CCC2C1CC(C(O)(C)CCCC(=O)OCC)C2=O)C3CCCCC3	5873
+C(C(OCC)=O)(CCC)C(=O)C(=O)OCC	5874
+O(C(CCCCN(C1c2ccc(nc2CCC1)C#N)CCc3ccccc3OC)=O)CC	28
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(OCC)=O	28
+CC(C)(C)OC(NCc1ccc(F)cc1OCCCCC(OCC)=O)=O	8
+CC(C)(C)OC(NCc1c(c2c(ccc(OCCCCC(OCC)=O)c2)nc1CC(C)C)-c3ccc(cc3)C)=O	8
+c1cc(ccc1OCCCCC(=O)OCC)-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2	8
+CC(C)c1n(CCCCC(OCC)=O)c2ccccc2n1	656
+O(C(CCCCOc1c(c(OC)c(cc1)OC)C=O)=O)CC	8
+c1c(Cl)c(c(cc1)Cl)S(=O)(=O)N(C)CCCCC(OCC)=O	831
+O(C(CCCCN1c2ccccc2CCC1)=O)CC	936
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCC(=O)OCC	5875
+C(CC)CC(CCCC)C(=O)OCC	1917
+c1cc(ccc1C)-c2nc3c(nc2-c4ccc(cc4)C)CCCN3CCCCCC(OCC)=O	1821
+CC1(C)c2cc(ccc2N=C1C)OCCCCCC(=O)OCC	8
+c1ccccc1C(c2ccccc2)NCCCCCC(=O)OCC	132
+c1cc(ccc1-c2nc3N(CCCCCCC(=O)OCC)CCCc3nc2-c4ccc(cc4)C)C	1821
+c1cc(ccc1-c2c(-c3ccccc3)nc4c(CCCN4CCCCCCC(OCC)=O)n2)C	1821
+O=S(=O)(OCCCCCC(=O)OCC)C	7
+O(C(=O)CCCN(Cc1ccc2ccoc2c1)C(C3(C)CCN3C(=O)Cc4c5c(cccc5)sc4)=O)CC	10
+c1cc(cc(C#N)c1OCC2CO2)CCCC(OCC)=O	3507
+C(OC(CCCc1ccc(O)c(C#N)c1)=O)C	180
+c1nnnn1CCCC(=O)O	3
+N(C)C(CCc1c(Br)cccc1Cl)=O	271
+CC(C)(C)Cc1nc(COc2cc(cc(c2)OC)CCC(=O)OCC)ccc1-c3cc(ccc3F)OC	412
+O=S(=O)(OCC(c1cc(CCC(OCC)=O)cc(c1F)F)O)c2ccc(cc2)C	36
+CC(C)(CC1Cc2c(C1)cccc2)NCC(c3c(F)c(F)cc(c3)CCC(OCC)=O)O	1918
+C(OC(CCc1cc(c(Nc2ccc([N+]([O-])=O)cn2)cc1)OC)=O)C	201
+c1(c(cc(CCC(OCC)=O)cc1)OC)N(C)c2ncc([N+]([O-])=O)cc2	1121
+FC(F)(F)S(=O)(=O)Oc1cc(cc(c1F)F)CCC(OCC)=O	166
+c1c(cccc1CCCO)O	44
+O(CC)C(=O)C(Cc1cc(ccc1)OC)C=O	2474
+C(OC(CCc1cc2c([nH]1)c(cc(C#N)c2)F)=O)C	180
+c1(c(C)c(c(c(C)c1-c2cc(CNc3cc(c(cc3)CCC(OCC)=O)F)ccc2)C)OCCOCC)C	208
+Cc1cc(cc(C)c1-c2cc(CNc3cc(c(cc3)CCC(OCC)=O)F)ccc2)OCCOCC	208
+c1ccccc1Oc2ccc(cc2)COc3ccc(cc3F)CCC(=O)OCC	657
+FC(F)(F)c1cnc(Oc2cc(OCCOC)ccc2CCC(=O)OCC)c(Cl)c1	136
+c1cc(ccc1C(O)CCC)COc2ccc(c(F)c2)CCC(=O)OCC	657
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(CCC(=O)OCC)ccc(c2)OCOC	136
+O(CC)C(=O)C(Cc1ccc(nc1)OC)C=O	2474
+C(OC(CCc1ccc(Br)n1-c2ccc(C#N)cc2C)=O)C	653
+c1c2c3CN(C)CCc3n(CCC(=O)O)c2ccc1C	3
+c1cc(CCN(C)CC(=O)O)c(cc1F)[N+]([O-])=O	3
+CN(CC(=O)O)c1n[nH]c2ccc([N+]([O-])=O)cc12	3
+FC(F)(F)c1cnc(-n2nc(c(c2)CCCOc3c(cnn3CC(OCC)=O)CC)C(C)C)cc1	5876
+N(C)C(CN1C(=O)C=C(C=C1)n2cc(nc2C)C#Cc3cccc(C)c3)=O	271
+c1ccccc1CC(N=C2NC=CN(CC(OCC)=O)C2=O)CN=[N+]=[N-]	5877
+C1CC(C)N(CCO)CC1	44
+C1CC(CCC1)N2C(N(C3CCCC3)C(C(C(NCC(=O)OCC)=O)C2=O)=O)=O	1537
+CC(C)(C)N1C(=O)C(C(=O)N(Cc2c(cccc2)Br)C1=O)C(NCC(=O)OCC)=O	1537
+CC(C)(C)c1ccc(cc1)CN2C(C(C(N(C3CCCCC3)C2=O)=O)C(=O)NCC(=O)OCC)=O	1537
+CC(C)(C)c1c(cccc1)N2CCN(CC2)C(NCC(OCC)=O)=O	3508
+CC(C)CN1C(=O)C(C(=O)N(CC(C)C)C1=O)C(NCC(=O)OCC)=O	1537
+CC(C)N1C(=O)C(C(=O)N(C(C)C)C1=O)C(NCC(=O)OCC)=O	1537
+C1C(N(CC1)CC(=O)NCC(=O)NC)=O	271
+N1C(=O)CNc2c1cccc2F	1290
+COc1c(cc(I)c(Cl)c1)NCC(=O)O	3
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(NCC(OCC)=O)c2[N+](=O)[O-])=O	54
+C(O)c1cc(Cl)c(OCC(=O)O)cc1OC	3
+c1ccccc1-n2ccc(CN3CCN(c4c(OCC(=O)OCC)c(cc5cccnc45)C)CCC3)n2	315
+C1c2c(CN1CC(CNC(COc3c4c(ccc3)OCCN4C)=O)O)cccc2	271
+c1cc(OCC(=O)O)cc2N(CCc12)c3c4CSCc4nc(Cl)n3	3
+C(OC(COc1cc2N(CCc2cc1)c3c4CSCc4nc(Cl)n3)=O)C	860
+c1ccc(I)cc1OCC(=O)O	3
+c1c(cc(C(Nc2cccc(OCC(OCC)=O)c2)=O)c(F)c1)Br	67
+c1ccc(NC(C)=O)cc1OCC(=O)O	3
+c1cc(ccc1)C(c2ccccc2)C=3C=CC(=O)N(CCCc4cc(ccc4)OCC(OCC)=O)C=3	5878
+O=S(=O)(C)OCCCc1cccc(OCC(OCC)=O)c1	7
+C(OC(COc1c2N(CCOc2ccc1)C)=O)C	15
+O=S(=O)(Nc1ccc2n(CC(OCC)=O)c(cc2c1)C)C	80
+C(OC(Cn1c(cc2cc(N)ccc12)C)=O)C	0
+C1CCCCC1S(=O)(=O)c2ccccc2Cc3c(n(CC(OCC)=O)c4ccc(cc34)F)C	1919
+FC(F)(F)Oc1ccc(cc1)-c2nn(c(c2)CCOc3ccc4c(n(CC(=O)OCC)cc4)c3)C	1520
+FC(F)(F)Oc1ccc(cc1)-c2nn(c(c2)CCCOc3ccc4c(c3)n(CC(=O)OCC)cc4)C	1520
+FC(F)(F)Oc1cccc(C#CCCCOc2ccc3ccn(CC(=O)OCC)c3c2)c1	126
+FC(F)(F)c1ccc(cc1)-c2nn(c(COc3ccc4ccn(CC(=O)OCC)c4c3)c2C)C	1538
+FC(F)(F)c1ccc(cc1)-c2cc(n(n2)C)CCOc3cc4c(cc3)ccn4CC(=O)OCC	126
+FC(F)(F)c1ccc(cc1)-c2cc(n(C)n2)COc3cc4n(CC(=O)OCC)ccc4cc3	1538
+FC(F)(F)c1ccc(cc1)C#CCCCOc2cc3c(cc2)ccn3CC(=O)OCC	126
+C(Cn1c2c(cccc2C#N)cc1)(=O)O	3
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2c3n(CC(OCC)=O)ccc3ccc2	1920
+C(OC(N(CCCC)CCCl)=O)C	723
+C1CN(CCC1)Cc2cc(OCC=CCNC(CS(=O)CCNC(=O)OCC)=O)ccc2	1475
+C(OC(=O)Nc1c2ccc(cc2sc1)OC)C	1539
+C(OC(Nc1c(C(=O)O)sc2cc(OC)ccc12)=O)C	1
+C1CN(CCN1c2ccc(cc2)OC)C(Nc3c(nc4c(cc(C)cc4)n3)OC)=O	2475
+C1CN(CCN1C(Nc2c(nc3c(ccc(F)c3)n2)OC)=O)c4cc(ccc4)C	2475
+C1CN(CCN1c2ccccc2OC)C(=O)Nc3nc4ccc(cc4nc3OC)F	2475
+n1c(N)nn2cc(Oc3cc(C)cc(NC(c4cc(nn4C)C)=O)c3)ccc12	982
+n1c(nn2c(Br)cc(C)cc12)N	982
+C(C=O)#CCCCCCl	5879
+CCOC(OCC)c1nc2c(n1C)nccc2	5880
+CC(C)(C)OC(NC(c1sccn1)Cc2ccccc2)=O	3509
+C(C)OC(OCC)COc1cc(Cl)c(c(Cl)c1)OCc2ccccc2Cl	8
+c1(c2n(ccc1)ccn2)C(=O)O	3510
+n12cc(cc(C)c1ncc2)Br	3510
+CCOC(OCC)COc1c(cc(Cl)c(-c2nc(N)nc3c2cc(C(NCC)=O)s3)c1)Cl	8
+C(C)OC(OCC)COC(COCc1ccccc1)CC=C	176
+c1cc(ccc1[N+]([O-])=O)C(c2sccn2)c3ccc(cc3)Cl	3509
+CCOC(OCC)COc1ccc(cc1)C	8
+c1cc(ccc1Cl)OCC(OCC)OCC	8
+c1cc(ccc1O)-c2ccc(cc2)OCC(OCC)OCC	8
+O(CC)C(OCC)CSc1ccccc1C	636
+CCOC(OCC)COc1ccc(cc1)Oc2ccccc2	8
+n1cc(n2c(ncc2)c1Br)Br	5881
+Clc1cc(cc(Cl)c1OCCCCOCC(OCC)OCC)OCC=C(Cl)Cl	20
+c1cc(ccc1)C(Oc2cc(CC)c(c(c2)CC)OCCCCOCC(OCC)OCC)=O	20
+OP(O)CC(CN)c1ccc(cc1)OC	5882
+c1(C)cc(nc(SCCCCCC)n1)C=O	1921
+c1cc(ccc1C2C(c3c4c(c(O)nn3)cccc4N2)c5ccc(cc5)F)C(OCC)OCC	5883
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)C(OCC)OCC	23
+CCC(c1c(c2c(c(ccc2)OC)nc1)O)=O	5884
+O=C(O)C(C(C)O)CCCC=C	4
+c1cc(ccc1-c2ccc(cc2)COC)C(N(C)C(C(OC)=O)C(NC)=O)=O	5885
+CCC(CC)C(=O)Nc1cc2c(N=CN3C(=O)C(C(OC)=O)=CN=C23)cc1	5886
+c1cc(ccc1)[Si](c2ccccc2)(OCCC3(C(C(=O)OC)(C(=O)OC)C3)c4cc(Cl)c(Cl)cc4)C(C)(C)C	5887
+c1c(CC(OC)=O)c([N+]([O-])=O)c(F)cc1	1540
+O=S(=O)(C)OCCC1(C(=O)N2CC=CC(C(OC)=O)N2C1=O)C	7
+COC1CC(C(OC)=O)COC1	1541
+C1c2c(cc(c(OC)c2)F)CCC1C(=O)O	4
+C1CC1C(=O)Nc2nccc(c2)Oc3c(F)cc4c(CC(C(OC)=O)CC4)c3	3511
+FC(F)(F)S(=O)(=O)Oc1ccc2c(c1)CC(CC2)C(OC)=O	166
+C1CC(CCC1)CC2C(OC)=CC(O2)=O	5888
+FC(F)(F)c1cccc(c1C)Cc2c3n(nc2N)C(=O)CC(=O)N3	5889
+C(c1cc2c(nc1O)cc(nc2)Cl)(=O)OC	5890
+c12nc(O)c(cc1cc(OC)c(OC)c2)C(OC)=O	3512
+COC(=O)C(C(OC)=O)c1c(cc(-c2cc(OCC)ccc2)cc1)[N+]([O-])=O	1266
+O(C(=O)C(C(OC)=O)c1ccc([N+](=O)[O-])cc1F)C	1266
+COC(=O)C(C(=O)OC)c1nc(nc(c1SC)OC)OC	5891
+c1cc(ccc1OCCOc2cc3CCCCc3cc2)C=C(C(OC)=O)C(OC)=O	5892
+c1ccccc1COc2c(cc3nc(c(C(OC)=O)cc3c2)O)OC	3512
+O=S(=O)(C)OCC1C(C1)(NC(=O)OC)c2cc(ccc2)[N+]([O-])=O	7
+C(c1ccc(cc1Cl)NC(OC)=O)Br	29
+CC(C)Nc1c(sc(c1)-c2ccccc2)C(OC)=O	5893
+c1c(cc2c(c(cnc2c1)C(=O)OCC)NCC(C)OC)Br	105
+c1cc(ccc1-c2c(C)c3c(N(C)C(=O)N(CCC(OC)=O)C3=O)s2)Cl	268
+C(CC(=O)O)c1cccc(F)c1	4
+Nc1ncc(CCC(=O)OC)nc1Br	439
+CC(C)(C)OC(=O)Nc1cn2c(ncc2cc1)C(=O)c3cc(c([N+](=O)[O-])cc3)C(OC)=O	1291
+C(OC)(c1ccccc1-c2ccc(CNc3nccc(c3[N+](=O)[O-])C)nc2)=O	70
+C(OC)(c1ccccc1-c2ccc(CN)nc2)=O	18
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)COc3cc4OC5=CC(C=CC5=C(c6c(cccc6)C(OC)=O)c4cc3)=O	22
+O=C(O)c1cn2c(c(ncn2)C3c4c(NC3=O)cccc4)c1C	1
+N(C(c1nc(c(nc1N)N)Cl)=O)CCN	2476
+Nc1ncc(Br)nc1C(=O)OC	439
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)Nc2c(nccn2)C(=O)OC)Cl	3513
+c1c(c(ccc1Br)F)C(Nc2c(C(OC)=O)nccn2)=O	1542
+c1cc(ccc1C(=O)Nc2c(C(=O)OC)nccn2)Cl	1542
+c12c(ccc(OC)c1CC=O)cccc2	1292
+COCC(COC)(NC(=O)c1sc(cc1)Cl)C(Nc2ccc3CCN(CCc3c2)C)=O	33
+C(OC)C(COC)(NC(=O)c1ccc(Cl)s1)CO	1256
+C(OC)C(COC)(C(=O)O)NC(=O)c1sc(Cl)cc1	5894
+C(O)C(Oc1cc(C(Nc2ccn(C)n2)=O)cc(O)c1)C	88
+C1N(CC1)C(=O)c2cnc(cc2)Oc3cc(C(Nc4nn(C)cc4)=O)cc(OC(C)COC)c3	136
+CN(C)S(=O)(=O)c1ccc(Oc2cc(cc(C(=O)Nc3nn(C)cc3)c2)OC(C)COC)c(c1)Cl	46
+c1(cc(Oc2sc3C(NCCCc3n2)=O)cc(OC(COC)C)c1)C(=O)Nc4ccn(C)n4	5895
+c1cc(ccc1Oc2cc(cc(c2)OC(C)COC)C(=O)Nc3nn(C)cc3)C#N	46
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(OC(C)COC)cc(C(=O)Nc4cnc(cn4)C)c3	706
+O=S1(=O)CCCOc2c1ccc(Oc3cc(cc(OC(C)COC)c3)C(=O)Nc4cnc(cn4)C)c2	46
+C(O)C(Oc1cc(cc(O)c1)C(=O)OC)C	88
+c1(O)nnc(c2ccc(OC)cc12)COC	1922
+O=S(=O)(c1ccc2c(C(C(N2)=O)=O)c1)N3CCCC3COC	92
+c1(C)cc(C#N)cnc1N2CCCC2COC	361
+C(OC)C1N(c2cccc([N+]([O-])=O)c2)CCC1	79
+CC(C)(C)OC(=O)NC1CCCCC1CN2CC(COC)CCC2	61
+c1cc(Nc2nc(-c3cccc(C(=O)OC)c3)nc4scnc24)cc(N5CCCC5COC)c1	261
+C(OC)C1N(c2cc(ccc2)Nc3nc(nc4c3ncs4)Cl)CCC1	5896
+C(OC)C1N(c2cccc(N)c2)CCC1	0
+c1(C)cc(N)c2c(CC(COC)O2)c1Br	38
+C(OC)C1Oc2c(N)cc(C)cc2C1	0
+C1C2CC3CC(CC1C3(CCOC)C(OC)=O)C2	1232
+C1CC(CCN1Cc2ccccc2)(CCOC)C(=O)OCC	1232
+C1CC1COc2c(C#N)cc(-c3ccnc(c3)Nc4cn(CCOC)nc4)cc2	338
+C1CCCC(n2c3ccc(cc3c(C=O)n2)OCCOC)O1	8
+C1CCCC1(CCOC)C(=O)OC	1232
+c1cc2CCCN(c2cc1CO)CCOC	936
+C1N(CC1Oc2ncc(cc2)-c3cccc(OCCOC)c3)C(Nc4cnccc4)=O	8
+c1(ccc(NC(C)=O)cc1-c2ccnn2C)OCCOC	8
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3ncnc(OC4CCN(CC4)CCOC)c3	28
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cc(-c3ccc(cc3)OCCOC)cc(c2C)C(OC)=O)CCC	8
+CC(C)(C)c1cc(C(=O)OC)cc(OCCOC)c1	8
+n1c(C)cc(C(OCC)=O)n1CCOC	338
+C[Si](C)(C)CCOCn1cc(-c2ccc(cc2)Br)nc1C3N(CC(C3)OCCOC)C(=O)OC(C)(C)C	176
+FC(F)(F)C(=O)c1cn(c2c1c(ccc2)Cl)CCOC	339
+FC(F)(F)c1cc(I)cc(OCCOC)c1	8
+c1(C(=O)OC)cc(Cl)c(N)cc1OCCOC	8
+O=Cc1cc(Br)c(OCCOC)c(c1)OC	8
+O=S(=O)(c1ccc(C(OC)=O)c(c1OCCOC)C)C	8
+c1(OCCOC)cccc(C(=O)OC)c1OC	8
+Clc1cnc(c(c1)OCCOC)[N+]([O-])=O	458
+O(C)CCOc1cccc([N+]([O-])=O)c1	8
+c1cc(c(c(F)c1OCCOC)C#N)I	8
+c1(nc2ccc(OCCOC)cc2[n+]([O-])n1)N	8
+c12n(CCOC)ccc1c(C)ccc2F	339
+c1c(OCCOC)c(cc(C#N)c1)OC	8
+O(C)CCOc1cccc(CO)c1	8
+c1cc(cc(Br)c1OC)OCCOC	8
+c1c(OCCOC)c(cc(c1)C(=O)OC)OC	8
+c1cc(N2C(CCC2)c3cc(cc(F)c3)OCCOC)nc4c(cnn14)C(=O)OCC	8
+c1cc(ccc1-c2c(C#N)c3c(n2CC)cc(cc3)OC)OCCOC	8
+CC(C)c1ccc(cc1)-c2nc3c(c(ccc3Br)OC)n2CCOC	656
+c1cc(ccc1C#N)-c2nnn(Cc3cc(C(Nc4sc5CC(CCc5n4)NCCOC)=O)ccc3)c2	132
+c1cc(ccc1C=O)OCCOC	8
+c1cc(N)c(cc1)SCCOC	636
+c1c(OCOC)ccc(n1)OCCOC	1923
+O(CCN1Cc2n(CC1)nc([N+]([O-])=O)c2)C	28
+C(OC)CC(N=C=S)C	5897
+C1C(CO1)(C)c2nc(-c3c(F)cc(cc3)F)c(-c4ccc5nc(oc5n4)NC(CCOC)C)[nH]2	3514
+c1cc(C)cc(c1OCCCOC)OC	8
+C(OC)CCOc1c(c(F)cc(c1)Br)F	8
+c1(C=O)cc(OCCCOC)c(cc1)OC	8
+C(OC)CCOc1ccc(c(CCO)c1)Br	8
+c1cc(cc(OCCCOC)c1OC)C(=O)OC	8
+C1CCN(C(=O)CCCO)c2cccc(Br)c12	88
+c1cc(ccc1C#CCCCCCOC)C2CC(CC2)(N)C(=O)OC	197
+CC(C)(C)OC(N1CC(CCC1)C(c2cccc(c2)Cl)(CCCCOC)O)=O	5898
+O(C)CCCCNc1cccc(Cl)c1-c2cccc(c2)CC	250
+[n+]1([O-])c(C)cc(cc1)OCCCCOC	857
+CC(C)(C)OC(=O)N1CCCC(C1)C(CCCCOC)(O)c2ccccc2Oc3ccccc3	5899
+c1(cc(ccc1)CCCCOC)C=O	146
+c1cc(C)cc(OCCCOC)c1OCC	72
+C(OC)CCOc1cc(Br)cnc1O	788
+C(OC)CCNC(c1cnc(-n2ncc(c2OC)-c3cc(C)c(cc3)C#N)cc1)=O	1122
+c1c(C2C=NN(C2=O)c3ccc(cn3)C(NCCCOC)=O)cc(C)c(c1)C#N	2477
+C(OC)CCNC(c1cnc(-n2ncc(Br)c2OC)cc1)=O	3515
+C(OC)CCNC(c1cnc(-n2ncc(c2OC)C(=O)O)cc1)=O	6
+C(OC)CCNC(c1cnc(-n2ncc(c2OC)C(=O)OCC)cc1)=O	3516
+C(OC)CCOc1c(OC)cc(C)c(c1)C(=O)O	789
+CC(C)C(Cc1cc(F)c(F)c(c1)OCCCOC)=O	3517
+O(C)CCCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2	602
+C(OC)CCOc1c(c(ncc1)CCl)C	512
+C(OC)CCOc1c(c(ncc1)CO)C	59
+C(OC)CCOc1c(OC)ncc(c1)Br	766
+FC(F)(F)S(=O)(=O)Oc1ccc(CCC(OCC)=O)cc1OCCCOC	376
+C(OC)CCOc1c(OC)cc(C)c(C=O)c1	146
+C(OC)CCOc1cc[n+](c(COC(C)=O)c1C)[O-]	983
+C(OC)CCOc1c(c(ncc1)COC(C)=O)C	174
+CC(C)[Si](C(C)C)(C(C)C)OCCc1cc(OCCCOC)ccc1Br	19
+c1c(c(c(cc1C(=O)OC)CCCO)C)Br	88
+O(C)CCCn1cccc1C=Cc2c(cccc2)Cl	5900
+c12nc(ncc1N(C(CCN2CCOC)=O)C)Nc3c(cc(C(=O)O)cc3)OC	55
+N1(C(=O)CN(c2ccc([N+]([O-])=O)cc2F)CC1)CCOC	3518
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2onc(n2)CN(CCOC)C)=O	3519
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(C)CCOC	468
+CC(C)(C)OC(NC(C(=O)OC)CCN(C)CCOC)=O	183
+CC(C)(C)OC(=O)Nc1c([N+](=O)[O-])cc(c(N(CCOC)C)c1)Cl	202
+c1ccccc1-c2ccc(cn2)-c3n(c(nn3)N(C)CCOC)-c4c(Br)cccc4	3520
+O=S(=O)(C)N(C)c1cc(C(O)=O)cc(N(CCOC)CC2C(C)C2)n1	43
+O(CCOC)c1cc(C(C#N)C(=O)C)ccc1OCCOC	1260
+C(OC)COc1c(OCCOC)cc(cc1)CC#N	177
+FC1(F)C(CC(CNC(=O)c2cc(n3cccc(Cl)c23)CCOC)CC1)C	56
+FC1(F)CCCC(C1)CNC(=O)c2cc(n3cccc(Cl)c23)CCOC	56
+C(OCC)(Cc1cc(ccc1)OCOC)=O	175
+C12CC3CC(C1)CC(C2)(C3)c4cc(cc(c4OCOC)C(c5ccccc5)=O)Br	175
+C1CCC1(OCOC)c2nccs2	433
+C1C(CN1C(CCOCCc2ccc3c(ccs3)c2)=O)OCOC	433
+C1CC(c2c1c(OCOC)ccc2)=O	175
+CC(C)(C)OC(CC(COCOC)NC(OCc1ccccc1)=O)=O	433
+CC(C)(C)OC(=O)N(CCC(=O)OC)C(CC(N(C1CC1)Cc2cccc(c2Cl)Cl)=O)COCOC	433
+CC(C)(C)OC(c1ccc(cc1NC(c2cc(ccc2OCOC)C)=O)-c3ccccc3)=O	175
+CC(C)(C)[Si](C)(C)OC1C=C(C(OCOC)(C)C1)CC=C	3521
+CC(C)(C)[Si](C)(C)Oc1ccc(Br)c(c1)COCOC	433
+CC1(C)c2cc(c(OCOC)cc2C(C)(C)CC1)C(CC)=O	175
+CN(C)c1cc(C=O)ccc1OCOC	175
+C(OCc1nc(OC)ccc1Br)OC	433
+FC(F)(F)C(=O)N1CCc2c(ccc(CCl)c2)CC1	3522
+FC(F)(F)c1c(ccc(S(=O)(=O)N(c2c(ncc(c2)C)Br)COC)c1)Cl	2478
+O=Cc1cc(cc(OC)c1OCOC)Br	175
+c1c(c2c(C)cccc2c(c1)C=O)OCOC	175
+O=Cc1ccc(cc1O)OCOC	175
+O=Cc1ccccc1OCOC	175
+O=S(=O)(c1cc(c(Cl)cc1)C)N(c2c(ncc(c2)Cl)Br)COC	2478
+O=S(=O)(N(COC)c1c(ncc(c1)Cl)Br)c2cc(c(cc2)Cl)CC	2478
+S(c1cc(F)c(cc1C)CCl)C	3522
+c1(c(C)c2SC(CCCO)Oc2c(c1C)C)OCOC	175
+c1(Br)cc(cc(Br)c1)OCOC	175
+c1(C=O)cc(C)c(cc1)OCOC	175
+C(Oc1ccccc1C(C)=O)OC	175
+O(COC)Cc1c(cc(c(c1OC)OC)OC)[N+](=O)[O-]	433
+c1ccc([N+]([O-])=O)cc1OCOC	175
+C1Oc2c(c(F)c(OCOC)cc2CC1)F	175
+c1(c(c(OCOC)ccc1)C)Br	175
+c1c(c(c2c(cc(OC)cc2)c1)Br)OCOC	175
+COc1c(OCOC)c(ccc1O)Br	175
+c1(cc(cc(C)c1Br)OCOC)C	175
+c1cc(cc(c1C(=O)C)O)OCOC	175
+c1c(c2c(OCOC)c(Cl)cc(C=O)c2cc1)CC	175
+c1c2c(c(c(Br)c(C)c2)OCOC)ccc1OC	175
+c1cc(c2c(c(F)ccc2)c1)OCOC	175
+c1cc(ccc1)C(Oc2cc(Cl)c(OCOC)c(C)c2)=O	175
+c1cc(ccc1)COc2ncc(OCOC)cc2	5901
+c1cc(ccc1-c2oc3c(cc(c(N(c4cc(Cl)c(cc4)C(OCOC)C=C)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	3521
+c1cc(ccc1Br)OCOC	175
+c1cc(ccc1-c2ccc(C=O)nc2)COCOC	433
+c1cc(ccc1Cl)-c2c(c3sc(cc3n2COC)C(=O)OC)C4CCCCC4	5902
+c1cc(nc2c([N+](=O)[O-])c(OCOC)ccc12)C	175
+c1c2ccc(OCOC)c(C#N)c2nc(C)c1	175
+c1cc(ccc1)COc2ccc(cc2OCOC)C=O	175
+c1cc(ccc1-c2cc(OCOC)no2)OCc3ccccc3	5903
+CC(C)c1c(c2ccc(cc2n1Cc3ccccc3)OCOC)C(NCc4cc(F)c(cc4)F)=O	175
+O=C(OC)N1CC(C(C1)OCC)Nc2nc(c(nc2CC)I)CC	5904
+C(OCC(N1Cc2ccc(cc2CC1)C(NOC3OCCCC3)=O)=O)COC	10
+CC(C)(C)c1c(OC)c(N2CCN(CC2)C(=O)COC(=O)C)cc(Br)c1	58
+CC(C)(c1cccc(c1)C(Nc2cc(Oc3nc4c(nc(NC(=O)COC(C)=O)s4)cc3)c(CC)cc2)=O)C#N	290
+CC(C)n1c(cnc1C)-c2nc(ncc2)Nc3ccc(cc3)N4CCN(CC4)C(=O)COC(=O)C	58
+FC(F)(F)CCCn1c2c(cc(C#N)cc2)nc1COC(C)=O	849
+FC(F)(F)c1c(C#N)cc(NC(=O)COC(C)=O)cc1	26
+c1c(OC)ccc2nc(NC(COC(C)=O)=O)sc12	290
+c1cc(ccc1F)-n2ncc3cc(c(C)cc23)OC(C(NC(COC(=O)C)=O)C)c4cccc(OC)c4	68
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3CCN(CC3)C(=O)COC(=O)C	58
+C(OCC(N1Cc2ccc(cc2CC1)C(NO)=O)=O)COC	5905
+c1cc(ccc1C)S(=O)(=O)OCC(OCCCCCCCC)COCCCCCCCC	36
+C(CCC)(c1c(c2cccc(C(=O)C)c2nc1)O)=O	3523
+CC(C)(C)OC(=O)N(C)c1ncnc(-n2ncc(C(OCC)=O)c2N)c1	5906
+FC(F)(F)c1cc(F)c(c(Cl)c1)-n2c(c(cn2)C(OCC)=O)N	1924
+CCOC(c1c(N)n(C)nc1)=O	3480
+c1c(ccc(c1F)-n2c(c(cn2)C(=O)OCC)N)F	1924
+c1(CCCC(=O)OC)cc2c(c(C#N)cnc2s1)O	5907
+c1cc(ccc1F)-n2ncc(C(=O)OCC)c2N	1924
+c1cc(ccc1OC)-n2ncc(c2N)C(=O)OCC	1924
+c1(CC(c2c(ccc(OC)c2F)OC)=O)cccc(c1)OC	5908
+C(C)OC(c1c(c2c(c(I)ccc2)nc1)O)=O	1861
+C(=O)(OCC)C(C(=O)OCC)c1nc(sc1)N	5909
+C1(=O)NC(NC(=O)C1CCCCCCCCCC)=O	3524
+C(Cc1ccc(OC)cc1[N+]([O-])=O)(OCC)=O	976
+c1cc(ccc1Cn2nccc2)Oc3ccc(cn3)N4C(C(OCC)=O)(C(OCC)=O)CCC4=O	309
+Oc1nc(c2ccsc2n1)-c3c(cccc3)F	5910
+O=S(=O)(C)OCCN(C)C(=O)OCC	7
+C1CC1c2cc(Br)c(NC(NC(=O)OCC)=S)nc2	1123
+CC(C)(C)OC(Nc1cc(Oc2cnc(cc2)NC(NC(OCC)=O)=S)ccc1C)=O	1123
+C(OC(=O)NC(Nc1cc(C)cc(Br)n1)=S)C	1123
+FC(F)(F)c1cccc(-c2c(c(cn3nc(N=C=S)nc23)Br)C)c1	5911
+CCOC(=O)NC(Nc1c(Br)cccn1)=S	1123
+CCOC(=O)NC(Nc1c(O)cccn1)=S	1123
+C(OC(=O)NC(Nc1ccc(Oc2cc(C)cc(NC(c3cc(nn3C)C)=O)c2)cn1)=S)C	1123
+c1cc(ccc1-c2c(nccc2)NC(NC(=O)OCC)=S)F	1123
+C1(C(CCCC1)NC)O	1925
+C1CN(CCN1c2ccccc2OC)CCN3C(c4c5CN(Cc5sc4N=C3)C(OCC)=O)=O	3435
+C(C)OC(=O)C1=NN(c2c(F)ccc(c2)F)C(C1)=O	5912
+C(c1c(O)c2c(nc1)cc(c(OC)c2)OC)#N	5913
+C(CC1=CC(Oc2cc(ccc12)O)=O)(N)=O	5914
+c12c3c(cccc3)ncc1nc(CCC)n2CCC(OCC)=O	730
+C(OCC)(CCNc1c(cnc2ccccc12)N)=O	13
+FC(F)(F)COc1c(cc(cc1Cl)CC(OCC)=O)Br	3525
+C(c1cc(C)c(-c2cc(ncc2)C)nc1)C(=O)O	3
+C(c1cccc(CC(=O)OCC)c1)Br	29
+C(C(Cc1cc(C)ccc1)=O)C#N	2479
+C(OCC)(Cc1cc(c(C)cc1)O)=O	5
+c1c(OC)c(ccc1CCO)C#N	44
+Cc1cccc(C)c1COc2cc(CC(=O)OCC)ccc2C	139
+O=S(=O)(C)c1cc(c(Oc2c(Cl)ccc(CC(=O)OCC)c2)cc1)Cl	46
+c1(c(OCCC(CCCC)c2sc3cc(ccc3c2C)OC)ccc(CC(=O)OCC)c1)OC	8
+c1cc(ccc1-c2c(c(no2)C)NC(=O)OC(C)c3c(cccc3)Cl)-c4cc(ccc4)CC(=O)OCC	99
+C(OCC)(Cc1cc(ccc1)C#N)=O	1926
+c1cc(cc(CC(=O)OCC)c1)CN	107
+c1(cc(ccc1)CC(OCC)=O)C=O	1543
+FC(F)(F)c1ccc(cc1)COc2cccc(CC(=O)OCC)c2	22
+c1c(C)c(c(cc1)C)COc2cccc(CC(=O)OCC)c2	20
+COc1cccc(OC)c1COc2cc(CC(=O)OCC)ccc2	657
+C(OCC)(=O)C(C(=O)c1c(ccc(OC)c1F)OC)c2cccc(OC)c2	5915
+O(CC)C(C(C)c1cccc(OCOC)c1)=O	643
+c1(ccc(CC(OCC)=O)cc1Cl)N=C=O	861
+C(OCC)(Cc1cc(Br)c(O)c(Cl)c1)=O	662
+c1cc(ccc1C(CC)(CC)c2cc(C)c(C=CC(CC)(CC)O)cc2)-c3ncc(cc3)CC(OCC)=O	362
+C(=O)(Cc1cccc(NC(=O)c2cccc(Br)n2)c1)OCC	187
+c1c(cc(Cl)c(C(Nc2cccc(c2)CC(OCC)=O)=O)c1)Br	67
+c1cc(ccc1N(C)C)-c2ccc(C(=O)Nc3cc(CC(OCC)=O)ccc3)o2	1242
+c1cc(ccc1-c2c(CC(=O)OCC)cc(C(=O)c3occc3)s2)C#N	5916
+c1ccccc1C=2CCN(CCCCN(c3cc([N+]([O-])=O)ccc3C(OC)=O)C(=O)OCC)CC=2	2480
+C(OCC)(N(c1cc(Cl)nc(c1[N+]([O-])=O)N)Cc2ccc(C)nc2)=O	664
+C1CC(CCO1)COc2cc(c(c(N)n2)[N+](=O)[O-])N(C(OCC)=O)Cc3cnc(cc3)C	91
+c1(C)[nH]c(cc1Cl)C(NC2C(CN(C(OCC)=O)CC2)OCC)=O	81
+COc1nc(CC(=O)OCC)c(C(OCC)=O)cc1	766
+c1cc(c(cc1-c2n(c(c(C#N)c2Cl)Cl)COCC)Cl)Cl	2481
+FC(F)(F)c1cccc(OCOCC)c1	175
+c1(nc2c(o1)ccc(c2)C(C)C(=O)N(COCC)c3ccnc4c(cccc34)F)-c5c(Cl)cccc5F	5917
+CC(C)(C)OC(C(C)(C)Oc1cccc(CC(OCC=C)=O)c1)=O	517
+C(OCCOCCSc1cc(OC)cc(c1)[N+]([O-])=O)COC	176
+c1ccccc1CN(Cc2ccccc2)C(COCCOCCOC)C	176
+c1cc(ccc1C(OCC)=O)OCCOCCOC	8
+[N-]=[N+]=NCCOCCOc1ccc(C=O)c(c1)O	310
+c1[nH]c2c(c1CCCO)c(C)c(cc2)[N+]([O-])=O	665
+C(OCCCl)CC(Nc1ccc(cc1C)C(=O)OC)=O	26
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOCCO	53
+c1ccccc1C2(CCN(CC2)CCOCCO)c3ccccc3	53
+CC(C)(C)OC(NCCOCCO)=O	37
+Clc1ccc2c(nccc2NCCOCCO)c1	105
+O=C1C2CCCCC2C(=O)N1CCOCCO	5918
+O=S(=O)(Cc1c(cccc1)[N+]([O-])=O)NCCOCCO	111
+C(O)COCCNc1n[n+]([O-])c2ccccc2n1	1888
+CC1(C)NC(C)(C)N(CCCOCCOCCOC)C1=O	481
+C(COCCN=[N+]=[N-])OCCO	558
+c1cc(ccc1OCCOCCOCCO)-c2ccc3c(c2)ccc(c3)N	72
+COCCOCCOCCOCCOCCO	649
+CCOP(OCC)(=O)CCOCCOCCOC	5919
+C(OCCOCCCl)COC	221
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOC)C	1293
+c1cccc2nc(-c3c(OCCOCCOCCOC)cc([N+](=O)[O-])cc3)sc12	126
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOC)C	36
+c1ccccc1COC(NC(C(=O)N2CC(CC2)OCCOCCOCCOCCOCCOC)c3ccccc3)=O	10
+OP(O)(=O)CCOCCOCCOC	228
+C(OCCOCCS(=O)c1cc(cc(N)c1)OC)COC	0
+C(OCCOCCS(c1cc(cc(OC)c1)[N+]([O-])=O)=O)COC	357
+CC1(C)OB(OC1(C)C)c2ccc(cc2C)OCCOCC	17
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCOCCO	5920
+CC(C)(C)OC(N1CCN(CC1)c2ccccc2OCOCCOC)=O	175
+CC(C)(C)OC(Nc1c2c(ccc(OCOCCOC)c2)ccc1)=O	175
+CC(C)(C)c1ccc(c(Br)c1)OCOCCOC	175
+Clc1ccc(c(C=O)c1)OCOCCOC	175
+FC(F)(F)c1c(OCOCCOC)ccc(Br)c1	175
+O=C1CC(CC(=C1)OCC)c2c(OCOCCOC)cccc2	175
+O=S(=O)(N(COCCOC)c1c(Cl)c(no1)C)c2csc3ncccc23	5921
+C(OCOc1cccc(I)c1)COC	175
+C(OCn1c(Cl)nc2c(Cl)cccc12)COC	1544
+C(OCn1cnc2c1cc(Cl)c(c2)Sc3cc(C)ccc3)COC	1544
+C(OCOc1ccc(cc1Br)C#N)COC	175
+c1c(C)c(c(cc1C=O)C)OCOCCOC	175
+c1cc(ccc1[N+]([O-])=O)OCCOCOCCOC	433
+O(CCOC)Cn1cnc2c(c(Cl)c(cc12)Cl)Cl	1544
+c1cc(ccc1Cl)Nc2c3c(nc(Cl)n2)n(cn3)CCOCC	1545
+CC(C)(C)OC(NC(C)C(N(c1c2cc(OCOCCOC)ccc2ccc1)C)=O)=O	429
+CC(C)(C)OC(NCc1cc(Br)c(OCOCCOC)cc1)=O	37
+C(OCOc1ccc(CN)cc1Br)COC	107
+C[Si](C)(C)C#Cc1cc(ccc1)OCOCCOC	311
+C1CCCC1CN(CC)c2ccc(nc2COCOC)OC	5922
+C(OCc1ccc(CCO)nc1)OC	5923
+c1cc(ccc1OCCc2ncc(cc2)COCOC)[N+]([O-])=O	57
+C(OCc1c(NCC)ccc(OC)n1)OC	3526
+C(COCc1nccs1)O	88
+C(OCn1c(-n2ncc(C(=O)OCC)c2)nc3c(Cl)cccc13)COC	2482
+C(C)OC(c1cnn(-c2[nH]c3cc(c(Cl)cc3n2)Sc4cc(C)ccc4)c1)=O	5924
+C(OCn1c2cc(Cl)c(cc2nc1-n3ncc(C(=O)OCC)c3)Sc4cc(C)ccc4)COC	2482
+O(CCO)Cn1c2ncccc2nc1	59
+C1CC1c2ccc(Nc3c(ccc4cncn34)C(=O)NOCCOC=C)c(F)c2	1546
+C1CN(CCN1c2ccc(cc2)Nc3ncc(cn3)CCc4cc(C(=O)NOCCOC=C)cc(OC)c4)CC	514
+Fc1c(c(Nc2ccc(I)cc2C)c(C(=O)NOCCOC=C)cc1F)F	514
+c1c(I)cc(c(Nc2c3cnsc3ccc2C(NOCCOC=C)=O)c1)F	514
+c1c(cc(c(NC2=CC(=O)N(C)C=C2C(NOCCOC=C)=O)c1)F)Br	3527
+c1c(cc(c(Nc2c(c3c(cc2C(NOCCOC=C)=O)n(cn3)C)Cl)c1)Cl)Br	514
+c1c(cc(c(Nc2c(C(NOCCOC=C)=O)ccc3cncn23)c1)F)Br	1546
+c1ccccc1CCCNc2scc(CON=C(c3cc(SC)ccc3)c4n(nnn4)C)n2	5925
+C1COC(O1)CCCC(C(=O)OCC)=Cc2ccc(-n3cc(nc3)C)c(c2)OC	1096
+O=C(OCC)C(=Cc1cc(c(cc1)-n2cc(nc2)C)OC)CCCCl	1096
+N(=[N+]=[N-])CCP(OCC)(=O)O	228
+c1(C=O)ccc(c(c1)CP(=O)(OCC)O)O	228
+Clc1cc(c(O)cc1)C=Cc2c(cccc2)Br	1265
+Clc1cc(c(O)cc1)C=Cc2c(cccc2)Cl	1265
+C(C)OP(OCC)(=O)c1csc(I)c1	1927
+c1cc(ccc1C(=O)OC)C2N3C(CCC2)CCC(C3=O)=Cc4cc(c(-n5cc(nc5)C)cc4)OC	3528
+c1cc(ccc1)-n2cc(C=Cc3nc(sc3C)N4CCOCC4)c(n2)OCOC	5926
+C(OP(OCC)(Cc1cc(ncc1)C(N)=O)=O)C	862
+O(CC)P(OCC)(Cc1cc(c(cc1F)[N+]([O-])=O)F)=O	5927
+C(Oc1nc(COC(C)=O)ccc1)CCC	5928
+C1CC(CCC1N(CCCOc2c(Cl)cc(c(c2)OC)CO)C)OC(C(c3cccs3)(c4cccs4)O)=O	28
+c1(OC)cc(c(c(OC)c1O)C(=O)c2c(OC)ccc(Cl)c2C)C	5929
+n1(c(c(nc1Sc2c(Cl)cc(cc2)Nc3c(cnc4cc(OCCCCl)c(OC)cc34)C#N)C)C)CC	179
+c1c(N)cc(cc1)Sc2c3c(cc(OC)c(OCCCCl)c3)ncn2	1124
+C(Oc1c(OC)cc2c(c(ncn2)Cl)c1)CCCl	64
+C1CCN(C1)CCCOc2cc3nccc(O)c3cc2OC	53
+COCC#Cc1c2OCOc2c(Nc3ncnc4cc(OCCCCl)c(cc34)OC)c(c1)Cl	73
+O=S(=O)(NCCOc1c(cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)cc1Br)OCC)C	111
+C(Oc1c(OC)cc2c(c(ncn2)O)c1)CCCl	3529
+C1CCN(C1)c2nc(N3CCCC3)nc(N4CCN(CC4)CCCOc5cccc6[nH]c(C(=O)N)cc56)c2	53
+C(Oc1cc(OC)ccc1NC(C)=O)CCBr	26
+c1cc(ccc1Cl)CC2(O)C(C)(C)CN(CC2)CCCOc3c(NC(C)=O)ccc(c3)OC	28
+c1ccccc1N2CCN(CC2)CCCOc3cc(ccc3Cl)[N+]([O-])=O	28
+c1c(OCC)c(c(cc1CN2CCC(CC2)Nc3nc4cc(OCC(O)CO)ccc4o3)OCC)Cl	5930
+c1ccc2c(cc(OCCC)c(N)c2)c1	106
+c1(ccc(C#N)cc1CCC)OCCCOc2ccc3c(c2)ccn3CC(=O)OC	8
+O=C(NCCCOc1cc2ccc(O)nc2cc1)n3cncc3	2483
+[n+]1([O-])ccc(OCCCC)c(C)c1COC(=O)C	983
+C1CN(CCC1)CCCOc2cc(C)c(-c3cn4c(cc(C)cc4)n3)cc2	53
+C(Oc1ccc(-c2cn3ccc(C)cc3n2)c(C)c1)CCCl	440
+C1CN(CCN1CCCOc2ccc(N)c(c2)[N+](=O)[O-])C	28
+c1ccccc1CNC(C)COc2ccc(c(C(N)=O)c2)O	87
+C1CN(CCO1)CCCOc2cc([N+](=O)[O-])c(C)cc2	28
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)C(NCCOc3cc(ccc3)C#N)=O)=O	14
+c1cc(ccc1C(c2cc(OC)c(OC)cc2)=O)C(NCCOc3cc(ccc3)C#N)=O	14
+CC(C)(C)S(N=C(c1c(C#N)nccc1)c2cc(OCCCF)ccc2)=O	5931
+C(Oc1cccc(C(=O)c2cccnc2C#N)c1)CCF	5932
+Cc1cc(ccc1)OCC(C)=NO	350
+c1(cc(ccc1Br)OCCCBr)CC	38
+C1(c2ccccc2C(=O)N1CCCOc3cccc(CO)c3)=O	851
+CC1(C)COc2cccc(OC)c12	5933
+c1c(N)cc(cc1)OCCCBr	0
+C(Oc1cccc(c1)C(=O)OC)CCI	363
+C1CN(CCC1)CCCOc2cc(ccc2)C(OC)=O	183
+c1cc(ccc1)C(c2ccccc2)CNCCCOc3cc(ccc3)CC(=O)OC	132
+O=S(=O)(C)OCCOc1cccc2c1cccc2	7
+C(Oc1cncc(Br)c1)CCNC	284
+C(Oc1nc(CO)ccc1)CCC	59
+c1cc(ccc1)COC(N2CC(CCC2)CCn3c4c(nc3OC)c(nc(OC(CCC)C)n4)N)=O	637
+c1ccccc1COC(N2C(CCCC2)CCCn3c4c(c(nc(OCCCC)n4)N)nc3OC)=O	637
+c1c(C2(c3ccnc(OCCCF)c3)c4cccnc4C(N2)=N)cccc1Br	5934
+C1CCN(C1)CCCOc2noc(C(Nc3cc(c(cc3)F)Cl)=O)c2	28
+S(C)(Cc1cccc([N+]([O-])=O)c1)(=O)=NC(OCC)=O	5935
+C(Sc1ccnc(CO)c1C)CCS	1275
+FC(F)(F)c1cccc(c1)C2SCCCS2	3530
+c1c(F)cc(cc1C2SCCCS2)F	3530
+O=S(=O)(C)c1ccc(C(=O)c2cnn(CC)c2OC(=O)SCC)c(c1OCCOC)C	3531
+O=S(=O)(C)c1ccc(C(=O)c2c(n(C)nc2)OC(=O)SCC)c(c1OCCOC)C	3531
+O=S(=O)(Cc1cccc(NC(C)=O)c1)CC	1547
+FC(F)(F)Oc1ccc(cc1)C=2OC(SN=2)=O	1928
+Cc1cc(C=2OC(SN=2)=O)ccc1	1928
+c1cc(ccc1Cl)C=2OC(SN=2)=O	1928
+c1ccccc1COc2ccc(cc2)C=3OC(SN=3)=O	1928
+C(C(=NO)c1c(F)cnc2ccc(OC)cc12)CC3CCN(CCSc4c(ccc(F)c4)F)CC3CC(=O)OC	189
+C(c1ccccc1SCC)Cl	109
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CSc4ccccc4OC)O	604
+C(Sc1ccccc1OC)C(C=O)OC	24
+Brc1sc(SCCCNC(C)=O)cc1	407
+c1nc2ccc(SCCCSc3ccnc(c3C)CO)nn2c1[N+]([O-])=O	1929
+CC(C)(C)OC(=O)NC1CCN(CC1)CCSc2cnc3c(cc(cc3)OC)c2	61
+CC(C)(C)OC(=O)NC1CCN(CC1)CCSc2nc3cc(ccc3nc2)OC	61
+c1(ccc(cc1C#N)Cc2ccc(c(OC)c2)OC)N	5936
+C(#N)c1[nH]c(C(=O)O)c(Cl)c1Cl	1
+O=S(=O)(N(C)C)c1cc2c(cc1)NC(=O)C2=Cc3c(c4ccccc4[nH]3)C	292
+s1c(nc2-c3cc([N+]([O-])=O)ccc3CCc12)Cc4nc[nH]c4	3532
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nnnc4CCCCC#N	5937
+C(OC(=O)C)c1c(Br)c(C)cc(OC(=O)C)c1	283
+C(c1c(Br)c(C)cc([N+]([O-])=O)c1)C#N	163
+c1(c(Br)c(C)cc([N+]([O-])=O)c1)CC(=O)O	508
+c1cc(ccc1CCCC)C#Cc2c(CCC)c(ccc2)F	455
+c1cc(ccc1C(O)=O)-c2scc(Br)c2CC(=O)OC	268
+C(c1c(C(NC)=O)[nH]c2cc(c(OC)cc12)F)CNC(C)=O	81
+n1cccc(C)c1CN(Cc2ncccc2C)Cc3ccc(cc3C(OC)=O)C#N	131
+Clc1c([N+]([O-])=O)cc2CN(C(c2c1)=O)C	854
+c1(C(=O)OC)cc([N+]([O-])=O)ccc1COC	149
+O(Cc1c(C(=O)OC)ccc([N+]([O-])=O)c1)c2cccc(NC(C)=O)c2	22
+N1(Cc2c(C1=O)ccc([N+]([O-])=O)c2)CC	854
+c1([N+]([O-])=O)ccc2C(=O)N(Cc2c1)C	854
+c1(cc2cccnc2cc1)N3C(c4cc(OC)ccc4C3)=O	1473
+COc1c(c(C)c(C#N)c(Cl)n1)Cl	91
+FC(F)Oc1cc(cc(C)c1CC=C)C	1548
+C1CC(CCC1C(=O)OC)NC(c2cc(cnc2C)Cl)=O	1281
+[N+](=O)(c1c(C(O)=O)c(cc(c1OC)Cl)Cl)[O-]	65
+CCCc1cc(c(N)c(Br)c1Cl)C#N	38
+O(Cc1c(Cl)ccc([N+]([O-])=O)c1)c2cccnc2	483
+O(Cc1c(Cl)ccc([N+]([O-])=O)c1)c2cnc(cc2)F	483
+C(c1c(Cl)nc(nc1Cn2ccnc2-c3cccc(F)n3)C)CC	5938
+[N-]=[N+]=Nc1c(CCC)c(nc(C)n1)Cn2ccnc2-c3cccc(F)n3	3533
+c1ccnc(NCC)c1NC(c2cc(Br)cnc2Cl)=O	1549
+C1CC1Nc2ccccc2NC(=O)c3cccnc3Cl	971
+C(C)OC(c1c[nH]c(C(c2cccnc2Cl)=O)c1)=O	2484
+FC(F)(F)c1cc(nc(Cl)c1NC(=O)c2cccnc2Cl)C	1549
+n1c(Br)c(NC(c2cccnc2Cl)=O)ccc1OC	1549
+n1ccc(C)c(c1OC)NC(c2cccnc2Cl)=O	1549
+c1cc(c(Cl)nc1)C(=O)c2ccc(C(NC)=O)[nH]2	2484
+c1(C(=O)c2ccc[nH]2)cccnc1Cl	2484
+c1cc(ccc1)CN(CCO)C(=O)Cc2cccnc2Cl	10
+Nc1cc(C(=O)OC)c(F)c(c1)N2CCCC2=O	0
+C1OC(CCC1)OCCNC(c2c(F)ccc([N+]([O-])=O)c2)=O	219
+C1(N(Cc2c(F)cccc2)C(C(N=O)=C(N)N1)=O)=O	863
+C(c1c(O)c(cc2CCC(C)(Oc12)CCC(OCC)=O)C(=O)C)CC	27
+CCOC(=O)CCC1(C)Oc2c(cc(C(=O)C)c(c2CCC)OCCCOc3ccc(C(=O)C)c(O)c3CCC)CC1	8
+c1(c(ccc(C(C)=O)c1OCCCOc2ccc(C(=O)C)c(O)c2CCC)OCC(=O)OCC)CCC	8
+CC(C)(CCCCOc1ccc(c(c1CCC)O)C(C)=O)C(=O)OC	8
+C(c1c(ccc(c1O)C(=O)C)OCC(OCC)=O)CC	52
+CC(c1cc(c(c(c1O)CCC)O)Cl)=O	1550
+C(c1c2cc(OCC(OC)=O)ccc2ccc1OCCCOCCCOc3ccc(c(c3CCC)O)C(C)=O)(=O)C	8
+c1cc(ccc1COc2c(c(O)c(cc2)C(C)=O)CCC)C=CC(=O)OC	22
+c1cc(ccc1C(=O)CCCCC(OC)=O)SCCCOc2c(c(c(cc2)C(C)=O)O)CCC	8
+C=CCc1c(O)c(ccc1OCCCOc2cccc(c2CCC)OCC(=O)OCC)C(=O)N	72
+C(c1c(O)c(ccc1O)C(NC)=O)CC	732
+C1(C(=O)OC)CCc2c(c(c(cc2)OCCCOc3ccc(c(c3CCC)O)C(=O)NC)CCC)O1	116
+Clc1c2cc(c(cc2ncc1C#N)OC)OC	120
+O=C1c2ccccc2C(=O)N1Cc3ccc(cc3OC(C)=O)[N+]([O-])=O	1930
+O(C)c1c(cc(C(=O)OC)cc1OC)CCC=CCC	1516
+C(c1cc(c(C(=O)OC)cc1O)F)CC	5
+c1(ccccc1Cl)Oc2cc(c(cc2)OC)C(C(=O)OCC)(C#N)C	3534
+C(c1c(OC)nc(C)cc1)n2c3cccc(NC(=O)c4n5c(cccc5)nc4)c3c(CC)n2	466
+C(n1c2cccc(NC(=O)c3n4c(cccc4)nc3)c2c(CC)n1)c5ccc(nc5O)C	104
+C(c1c(OC)nc(C)cc1)n2c3c(c(CC)n2)c(N)ccc3	0
+c1(c[nH]c2c1cc(cn2)C)Cc3c(nc(cc3)NC(c4cc(cnc4OC)F)=O)F	5939
+CN(C)C(Cc1c(Sc2c[nH]c3ccccc23)cccc1)=O	10
+O=Cc1c(c(CC(=O)O)c(C)[nH]1)C	413
+C(c1c(O)c(ccc1O)C(=O)N)C=C	666
+C(c1c(O)c(ccc1O)C(NC)=O)C=C	513
+C1CN(CCO1)CCNc2c(cccc2F)C(=O)OC	60
+C(CCCC)CCc1c(F)c(ccc1)F	414
+C(CCCCc1sc(C(Oc2c(C#N)c(c(cc2)OCCCCCCCC)C#N)=O)cc1)CCCCCCC	852
+C(=O)(O)c1c(F)c(OC)ccc1OC	6
+c1cc(-c2cc3c(c(C(=O)NCC(=O)OCC)c2O)ncc(n3)-c4sccc4)cc(F)c1F	2485
+c12c(c(Cl)ccc1)ncc(C(Nc3nccs3)=O)c2O	1931
+c1c2c(c([nH]c2ccc1)C#N)Cl	331
+c1(c(cc(Br)c(C)c1Cl)C(=O)OC)O	196
+FC(F)(F)Oc1ccc(cc1)-n2nc(nc2)-c3ccc(cc3)CCCNC(NC(=S)Nc4c(ccc(C)c4)CCC)=O	3390
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2c(OC)cc(c(C(CCCCCl)=O)c2)OC	69
+c1c(ccc2c1nc(OC)c(N)n2)F	5940
+N1(NC(c2c1cc([N+]([O-])=O)cc2)=O)Cc3c(cc(cc3)C(=O)OC)OC	5941
+C(c1ccc(F)cc1C(=O)OCC)Oc2cc(F)ccc2	22
+CC(C)N(C(C)C)C(c1ccc(cc1OC)OC)=O	115
+Nc1cc(C(=O)OC)c(cc1)Br	0
+c1ccc(c(c1)C(c2c(F)cccc2)Oc3ccc([N+]([O-])=O)cc3C(=O)OC)F	5942
+c1c(c(C(=O)OC)cc(c1)C(=O)C)OC	65
+c1cc(ccc1C(O)CCCc2ccccc2)OCCCOc3ccc(C(C)=O)c(c3CCC)O	8
+C(C)Cc1c(c(C(C)=O)ccc1OCCCCCOc2ccc3c(c2CCC)OC(=CC3=O)C(OCC)=O)O	8
+C(c1c(ccc2c1OC(CCC(OCC)=O)CC2)OCCCI)CC	363
+C1CC1Cc2c(OCCCOc3c(CCC)c4c(cc3)CCC(CCC(=O)OCC)O4)ccc(C(NC)=O)c2O	116
+FC(F)(F)S(=O)(=O)Oc1ccc2c(ccc(OC)c2)c1CC=C	166
+c1cc(ccc1)COc2ccc3c(cccn3)c2CC=C	22
+FC(F)(F)c1ccc(OCCCOc2c(cc(cc2C#Cc3c(Cl)cccc3)OCC=C(Cl)Cl)Cl)nc1	129
+c1cc(ccc1C)OC(C(OC)=O)c2ccccc2Cl	2486
+n1c(ccc(c1)-c2cc3c(cc2Br)CCO3)N	5943
+CC(C)(C)[Si](C)(C)OCC(Cc1c(cccc1)OC)O	19
+Oc1c(CC(N)=O)cccc1	5
+C1COCCN1C=2c3ccccc3C(N(N=2)NC(=O)Cc4c(OC)cccc4)=O	2487
+C1(C(c2ccccc2OC)=COc3cc(O)c(Cl)cc13)=O	3535
+FC(F)(F)c1cc(ccc1)S(=O)(=O)CCSc2c(NC(Cc3c(cccc3)OC)=O)cccn2	469
+FC(F)(F)c1ccc(cc1)CCN(C(=O)Cc2ccccc2OC)c3ccc(OC)c(F)c3	429
+C(c1c(cccc1)OC)C(N)=O	3536
+c1ccccc1C2(O)CC(CC#N)CC3CN(C(=O)Cc4c(OC)cccc4)CC23	10
+c1(ccc(O)c(C(=O)O)c1C)Br	38
+C(c1c(cccc1F)O)CC	5
+c1cc(ccc1)COc2c(CC=C)c(ccc2)C(OCC)=O	22
+CN(C)CCON=Cc1cc2ncc(-c3cccc(c3)-c4c(scc4)C#N)n2cc1	135
+C(c1c(ccs1)-c2cc(ccc2)-c3cnc4n3ccc(C=NO)c4)#N	135
+FC(F)(F)S(=O)(=O)OCCn1c(c(c(n1)C)CC(=O)NCc2c(cc(F)cc2)Cl)C	1932
+n1c(c(ncc1OC)CO)OC	1125
+c1(-c2nc(F)ccc2)n(Cc3c(CCC)c4n(ccn4)c(C)n3)ccn1	5944
+O=Cc1sccc1CC(CCCC)CC	3537
+CC(C)(C)c1cc(n(-c2ccc(cc2)F)n1)NC(=O)c3cccc4cc(ccc34)Oc5ncnc(Cl)c5	330
+C(c1c2c(ccc1OCCF)C=C(C(=O)O2)C(=O)O)CC	108
+Ic1cc(ncc1)-n2c3c(c(n2)C(O)=O)CCCC3	2488
+Cc1c2c(nn1C)ccc3CCC(c23)=O	5945
+C(c1c2c(ccc1OCCCOCCCOc3ccc(c(c3CCC)O)C(C)=O)ccc(OCC(=O)O)c2)(=O)C	4
+c12c(CC(=NO)N)coc1c(Cl)ccc2	609
+CC(C)(C)ONC(=O)C1(C)COCCC1NS(=O)(=O)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4	139
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=O	139
+C(c1c2ccccc2nc(n1)CCNC(C)=O)(O)=O	206
+CN(C)c1ccc2CN(CCc2c1O)C(=O)c3c4ccccc4nc(n3)CCNC(=O)C	147
+c1(c[nH]c2ncccc12)Cc3nnc4n3nc(-c5cnn(C)c5)cc4	2489
+Cc1ccccc1-c2nc(C)sc2NC(c3c4n(ccc(n4)Cl)nc3)=O	5946
+CC(C)CNCc1ncn2c(ncn2)c1CCC	3290
+C[Si](C)(C)CCOCn1c(-c2cc(Cl)ccc2OC(F)F)c(cn1)NC(=O)c3c4n(cccn4)nc3	5947
+CC(C)(C)OC(n1cc(CC#N)c2c1ccc(c2)C(=O)OC)=O	389
+FC(F)(F)c1ccc(cc1)-c2sc(c(C)n2)CCOc3ccc4c(CCC)c[nH]c4c3	126
+C(c1c[nH]c2c1ccc(N)c2)C#N	0
+CC(C)(C)OC(NCCc1c[nH]c2cc(ccc12)[N+](=O)[O-])=O	5948
+C(c1c[nH]c2ncccc12)n3nnc4c3nc(-c5cnn(C)c5)cn4	5949
+C1CNCCN1Cc2cccc(c2)-c3nc4cccc(C(=O)OC)c4o3	131
+c12c(nnc(c1c([N+]([O-])=O)ccc2)O)Cc3ccc(F)c(Br)c3	3538
+C1Cc2c(c(cc(Br)c2)C(=O)O)OCC1	1
+C(c1cc(C#N)cc(-c2onc(n2)-c3ncccc3)c1)N	1551
+C(c1cc(C#N)ccc1I)C#N	158
+C1CN(CCN1C(C)=O)c2cnc(NC(Cc3cc(c(-c4cc(F)ncc4)nc3)C)=O)cc2	142
+C(c1cc(C)c(-c2cc[n+](c(C)c2)[O-])nc1)C(=O)O	103
+c1c(cc([n+](c1)[O-])C)-c2c(cc(CC(=O)Nc3ccc(cn3)-c4nccnc4)cn2)C	142
+C(c1cc(C)c(CNC(N2CC(N(c3cccc(F)c23)CCO)=O)=O)cc1)(N4c5c(cccc5)CCCC4)=O	21
+C(c1cc(C)c(CNC(N2CC(N(c3cccc(F)c23)CCNC)=O)=O)cc1)(N4c5c(cccc5)CCCC4)=O	110
+C(c1cc(C)c(CNC(N2CC(=O)N(c3cccc(F)c23)CC=O)=O)cc1)(N4c5c(cccc5)CCCC4)=O	24
+c1(cc(cc(C)c1F)NC(C(OC)=O)CCCCOCc2cc(C)c(F)cc2)C	5950
+CC(C)(C)OC(c1ccc(c(c1)C)Br)=O	1933
+C[Si](C)(C)CNC(=O)c1cc(c(cc1)Br)C	5951
+c1(cc(C)c(cc1)C#N)C(N2c3ccccc3N(CCC2)CC)=O	610
+N#Cc1c(cc(C(Nc2ccccc2-c3ccco3)=O)cc1)C	67
+O=Cc1cc(C(=O)O)cc(C)c1O	1934
+c1(C)c(ccc(c1)C(=O)OC)O	128
+C1CN(CCC1S(=O)(=O)NC(Cc2cc(C)c(cc2)OC)=O)c3c(C#N)cc(C(=O)OCC)c(n3)C	344
+O=C(N(OC)C)Cc1cc(C)ccc1	164
+c12ccc(-c3cccc4n(C)nc(c34)N)cc1CCN2C(=O)Cc5cc(ccc5)C	429
+C1CC(CCN1OC)(C(OC)=O)NC(Cc2cc(C)ccc2C)=O	726
+C1CN(CCC1(N(C(=O)Cc2c(C)ccc(C)c2)O)C#N)OC	1080
+O(c1c2cc(c(OC)cc2ncc1)OC)c3ccc(C)cc3C(=O)CC	155
+CC(C)(C)OCC1=C(C(c2cc(ccc2)CC(O)=O)C=3C(=O)OC(CC=3N1)c4c(cc(cc4C)C)C)C(=O)OCC	3539
+c1(nc(c(C(=O)OC)cc1Cl)-c2cc(F)ccc2)CNC(C)=O	206
+C(c1cc(Cl)c2nccn2c1-c3cc(F)ccc3)(=O)OC	1935
+Clc1cc(c(n2c1ncc2)-c3cc(F)ccc3)C(=O)O	1
+c1cc(ccc1Cl)-c2oc3c(c2)cc(cc3Cn4nc(C(=O)OCC)cc4C)Cl	1936
+FC(F)(F)CCC(c1cc(Cl)ccc1)C(O)=O	434
+Clc1cccc(Cc2nc(no2)C(=O)OCC)c1	3540
+c1cc(ccc1)Nc2nc(-c3c(nn4ccccc34)-c5cccc(c5)NC(Cc6cccc(c6)Cl)=O)ccn2	1294
+n1nc(-c2cnc(cc2)NC(=O)Cc3cc(F)c(-c4cc(F)ncc4)nc3)ccc1	142
+CCC(=O)N(Cc1cccc(I)c1)c2cccc(C#N)c2	1126
+CCOP(OCC)(=O)Cc1cccc(I)c1	590
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(OCc5cc(I)ccc5)cc4C	22
+COc1cncnc1OCC#Cc2cccc(CC#N)c2	121
+c1csc(c1)C(=O)Nc2cccc(C(=O)c3cc4NC(Cc4cc3)=O)c2	864
+C(c1cccc(NC(=O)c2n(nc(C)c2)C)c1)(=O)c3cc4NC(Cc4cc3)=O	187
+c1cc(COC2=C(Br)C(N(C(=C2)C)c3c(C)ccc(c3)C(NC)=O)=O)c(cc1F)CNC(OC)=O	14
+Nc1c(C(=O)OC)cc(N2C(=O)C=CC=C2)cc1	0
+C(OCC)(Cc1cc(OC)c(C)cc1)=O	27
+C(c1cc(c(Cl)cc1)O)C(=O)O	5
+C1CCCN1C(=O)Cc2ccc([N+](=O)[O-])c(c2)OC	10
+c1(I)cc(c(cc1)NCc2cc(OC)c(cc2F)OCc3ccc(nc3)OC)N	0
+c1c(OC)ccc(OC)c1C(=O)Cc2cc(cc(OC)c2)F	214
+FC(F)(F)c1ccc(cc1)CNCc2cc(ccc2Br)OC	370
+C(C#N)c1cc(OC)ccc1Br	163
+c1c2c(c(O)nc(Nc3ccn[nH]3)c2)ccc1OC	5952
+FC(F)(F)C(N=S(C)Cc1cc(nc(c1)OC)Nc2ncc(c(-c3c(OC)cc(cc3)F)c2)F)=O	5953
+C1CCC(C1)c2c(C(n3nc(c4ncccc34)-c5c(cc(cc5)C(O)=O)F)=O)c(Cl)ccc2	5954
+N#Cc1cc(c(cc1F)COc2cc(c(Cl)cc2)Cl)Br	22
+C(c1cc(c(cc1O)C(=O)O)F)CC	1
+CC(C)(C)c1cc(NC(c2ccc(c(-n3cc(-c4ccc(Cl)nc4)nn3)c2)C)=O)c(c(c1)NS(=O)(=O)C)OC	67
+C(c1cc(c(C)cc1)N2C(=O)c3cc(ccc3N=C2)O)(=O)O	5
+C1CCCCN1CCOc2cc3C(N(c4cc(C(O)=O)ccc4C)C=Nc3cc2)=O	53
+c1c2C(N(c3c(C)ccc(c3)C(=O)OC)C=Cc2ccc1O)=O	128
+C(OCC)(Cc1cc(c(Cl)cc1)O)=O	456
+C(c1cc(c(Nc2nc(-c3n4c(cccc4)nc3)c(Cl)cn2)cc1)OC)C(=O)O	55
+Nc1c(NC(C)=O)c(Br)c(O)c(C(=O)OC)c1	0
+c1cccn2c(-c3nc(ncc3Cl)Nc4c(cc(cc4)CC(N5CC(CC5)O)=O)OC)cnc12	10
+C1CCCCC1Cc2noc(C=Cc3ccc(OC)c(c3)OC)n2	3410
+C1CC1c2noc(C=Cc3cc(c(OC)cc3)OC)n2	5955
+C1CN(CCC1N(C2CC2)C(=O)c3ccc(-c4cnco4)c(c3)F)c5ncc(C)nc5	30
+c1(C=O)cc2c(cc1)cccc2Cc3c(cc(cc3)C(=O)OC)OC	1937
+c1cc2CCC(NC(OCC)=O)C(Cc3cc(c(cc3)Cl)Cl)c2cc1OC	101
+C(Br)C(=O)c1c(ccc(c1)C(=O)OC)O	47
+C(CNC(c1cc(c(cc1)O)F)=O)C(OCC)=O	14
+c1c(ccc(c1OC)O)CC(OC)=O	27
+c1c(cc(OC)c(Oc2c([N+](=O)[O-])c3c(nccc3)cc2)c1)CC(O)=O	415
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1OC)CC(OC)C(=O)O	154
+C(c1cc(c(cc1)O)OC)C(OC)C(=O)O	4
+c1cc(cc(c1OC)O)CC(OCC)=O	27
+C1CC(CCN1C)N(C(=O)Cc2ccc(OC)c(O)c2)Cc3ccc(cc3)C	10
+CC(C)CCN(CCC(C)C)C(=O)c1ccc([N+]([O-])=O)c(F)c1	30
+CCCc1c(O)c(c(C(=O)O)c(F)c1)[N+](=O)[O-]	31
+c1cnccc1-c2c(-c3ccc(cc3)OCc4nc5ccccc5c(Cl)c4)nn(c2)C	1538
+C(O)c1cc(cc(c1CBr)Br)F	98
+c1nc(ncc1C(=O)NCc2cc(cc(c2)C(=O)OC)C)N3CC(Oc4ccccc4OCC)CCC3	484
+CCc1cc(cc(CC)c1-c2cc(C=O)ccc2)OCCCS(=O)(=O)C	267
+C(C)c1cc(cc(CC)c1-c2cc(COc3cc4OCC(CC(OC)=O)c4cc3)ccc2)OCCCS(=O)(=O)C	20
+c1(cc(CC#N)cc(c1)CO)I	5956
+Clc1cc(cc(c1)CC(OC)=O)Br	27
+c1cc(ccc1CN2C(c3c(cc(Br)cc3Cl)C2)=O)CC	854
+c1cc(ccc1-c2oc3c(cc(F)cc3C(=O)OC)c2)CN(C)C	1936
+C(c1cc(cc(c1O)Br)Br)C#N	2490
+c1c(c(O)c(Br)cc1Br)CC(=O)O	508
+CC(C)(C)OC(Cc1cccc(Br)c1)=O	3541
+C(OCC)(Cc1cc(ccc1)Br)=O	939
+C(OCC)(Cc1cc(ccc1)Br)=O	27
+c1(cccc(c1)CC(OC)=O)Br	27
+c1(cccc(c1)CC(NNC=2N(CCCCC)c3[nH]cnc3C(N=2)=O)=O)Br	355
+c1c(NC(=O)Cc2cc(ccc2)Br)c3c(CCC(O)C3)cc1	33
+c1cc(ccc1CCO)OCCOCc2cc(ccc2)C#N	8
+C[Si](C)(C)CCOCn1nc(c2c1cc(cc2)Br)C(Nc3cn(nc3)Cc4cccc(c4)C#N)=O	2491
+C(c1cc(ccc1)C#N)n2ncc(N)c2	209
+CC(C)(C)[Si](C)(C)OCCN(C(=O)Cc1cc(C(=O)OC)ccc1)c2ccccc2	429
+CC(C)NC(Cc1cc(O)ccc1)=O	2458
+C(OCC)(Cc1cc(ccc1)O)=O	27
+c1c(cccc1O)CC(OC)=O	27
+FC(F)(F)c1ccc(Oc2cc(CC(O)=O)ccc2)c(c1)C=O	46
+c1c(cccc1O)CC(OC)=O	5957
+C(Nc1ccc(Cl)c(c1)Cl)(=O)Cc2cccc(c2)O	33
+c1csc(C(NCC(C(=O)OC)NC(=O)c2ccc(C(=O)NCc3cc(O)ccc3)cc2Cl)=O)c1	259
+C1COCCN1C2=NN(C(=O)c3ccccc23)NC(Cc4cc(ccc4)OC)=O	2487
+CC(C)(CO)C(=O)NCc1cc(ccc1)OC	9
+CC(C)(C)OC(NC(C(O)CNCc1cc(ccc1)OC)Cc2cc(F)cc(F)c2)=O	122
+CC1(C)C(C)(C)OB(O1)c2sc(cc2)C(=O)NCc3cccc(c3)OC	227
+C(c1cc(ccc1)OC)Nc2nc(Cl)ncc2Cl	40
+C=1(N(Cc2cc(ccc2)OC)C(=O)C=C(O)C=1)C	5958
+c1cc(ccc1-c2cc(ccc2C)-c3nnc(C)o3)C(NCc4cc(ccc4)OC)=O	14
+c1cc(ccc1C(=O)NCc2cc(ccc2)OC)C(=O)C	14
+c1c(cc(cc1)Nc2ncc(c(n2)NCc3cc(ccc3)OC)Cl)CCCO	55
+C(c1cc(ccc1)OC)OCCBr	552
+c1(Cl)cc2c(cc1O)OC=C(c3cc(ccc3)OCCCCC#N)C2=O	3535
+CC(C)(C#N)c1cc(F)ccc1C	2451
+c1ccccc1COc2cc(c(cc2)O)C(=O)OC	22
+c1c(ccc([N+]([O-])=O)c1COC(C)=O)C(=O)OC	283
+c1cc([N+]([O-])=O)c(cc1F)CSC	639
+CC(C)(C)Nc1nc(Nc2ncnc(c2)C=C)cc3C=CN(C(=O)c13)CCO	346
+c1cc(CC2c3cc(C(=O)O)[nH]c3CC2)c(C)cc1F	1
+CC(C)(C)OC(=O)n1c(C(=O)OC)cc2C(=O)CCc12	1552
+C(c1cc2c(CCC2c3cc(ccc3)Br)[nH]1)(=O)OC	3542
+C(c1cc2C(Cc3ccc(cc3C)F)CCc2[nH]1)(=O)OC	5959
+c1cc(ccc1Cl)C2CCc3[nH]c(cc23)C(OC)=O	3542
+C(c1cc2c(CCC2c3cc(ccc3)C#N)[nH]1)(=O)OC	160
+c1c(C#N)cc(cc1)C2c3cc(C(=O)O)[nH]c3CC2	1
+c1c(cc2c(OC(C)C(=O)N2)c1)CO	49
+c12OCOc1ccc(COc3c(C(=O)OC)c(C(OC)=O)ccc3)c2	20
+C(c1cc2c(N)cccc2[nH]1)(=O)OC	0
+CC(C)(C)OC(=O)n1c2c(cc(C)cc2cc1C(OC)=O)[N+]([O-])=O	389
+c1(cc2c(cc1)OCCO2)CCl	109
+c12ccc(cc1n[nH]c2)C(NC)=O	14
+c1(CC#N)ccc2c(c1)ccc(F)c2	2490
+c1c2cc[nH]c2cc(c1)C(N(OC)C)=O	280
+c1c(C=O)ccc2ccc(C#N)cc12	2492
+c1(cc2c(cc1)cccc2[N+]([O-])=O)C(=O)N	169
+n1n(CCCC)c2ccc(cc2n1)CO	49
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	82
+CC(C)(c1cc(C(Nc2cc(c(cc2)C)NC(c3cc4ncc(Cl)nc4s3)=O)=O)ccc1)C#N	864
+c1(CC#N)ccc2cc(OC)ccc2c1	163
+O=S(=O)(C)NCCc1ccc2cc(ccc2c1)OC	111
+C(c1cc2ccccc2cc1)(=O)Nc3ccc(CBr)cn3	223
+c12c(cccc1)c(CC(=O)OCC)nn2Cc3ccc(nc3)NC(c4cc5ccccc5cc4)=O	5960
+c12cc(CC(O)=O)n(c1cccc2)C	3
+n1c2cc(ccc2n(c1C)CC)C(=O)OC	47
+n1c(C)sc2ccc(cc12)C(=O)OC	272
+c1cc(ncc1Br)C(NCc2ccc(-c3cc(F)ncc3)nc2)=O	81
+O=S(=O)(C)NCc1ccc(nc1)-c2n(nc(C(N(CC)C)=O)c2)-c3ccc(OC)nn3	111
+c1(ccccc1COc2cc(C)c3c(c2)n(c(C)n3)Cc4c(cc(-c5occn5)cc4)Cl)C(OC)=O	505
+Clc1c(ccc(c1)C(N(OC)C)=O)Br	280
+c1ccccc1C(=O)c2cc(Cl)c(Br)cc2	358
+O(Cc1ccc(Br)c2oc(nc12)C)C	382
+CC(C)(C)OC(NCc1cnc(cc1)Br)=O	37
+c1(C=O)cc(Cl)c(CBr)cc1	1295
+CC(C)(C)OC(NCc1ccc(c(Cl)c1)C(=O)OC)=O	37
+c1cc(C(=O)OC)c([N+]([O-])=O)cc1CO	49
+O=S(=O)(C)OCCc1ccc(cn1)C(C)OCOC	7
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1ncc(C=CC(=O)NCCCCc2nc(NCC)c(C(NC)=O)cc2)cc1	711
+C1CC1NC(=O)c2cc(C=3C(=O)N(C)c4nc(ncc4C=3)SC)c(C)cc2	14
+c1(C=O)cc(I)c(C)cc1	5961
+C1CN(CCN1C)Cc2cc3nc(-c4cc(I)c(C)cc4)[nH]c3cc2	1127
+FC(F)(F)c1cccc(c1)NC(=O)c2cc(I)c(cc2)C	67
+FC(F)(F)c1c(-n2cnc(c2)C)ccc(c1)NC(=O)c3cc(I)c(cc3)C	67
+C(Cc1ccc(C)c(c1)F)(N)=O	83
+c1(ccc(C)c(c1)F)CN2C(=O)C(CC2)Br	1553
+Nc1c(C)ccc(C(=O)OC)c1C	0
+c1cc(ccc1Cl)C(=O)c2ccc(cc2Cl)C	222
+c1cc(ccc1)C(=O)NC(Nc2cc(ccc2CCC)C)=S	865
+C(c1ccc(C)nc1)NC(=O)c2cc(cc(c2)-c3ccc(cn3)C)Br	14
+N(Cc1cnc(cc1)C)C(c2nnn(CC(CCc3cc4c(nn3)[nH]c(-c5c(cccc5)F)c4)F)c2)=O	312
+c1(ccc(C)cn1)-c2cc(cc(-c3ccccc3F)c2)C(=O)NCc4cnc(cc4)C	11
+CC(C)C(=O)NNc1c(C(OC)=O)ccc(C)n1	1296
+Nc1cc(C(=O)O)ccc1CC	0
+C(c1ccc(nc1Cl)CNC=O)(=O)OC	707
+[N-]=[N+]=NCc1ccc(C(=O)OC)c(Cl)n1	5962
+C1CC(CCO1)Nc2c3c(n(CC)nc3)nc(CC)c2CNC(=O)CCC(=O)NCc4cc(Br)c(cc4)Cl	9
+C(c1ccc(Cl)c(c1)C=O)NC(CC)=O	39
+N1=NN(c2c(Cl)ccc(C(=O)OC)c2Cl)C(=O)N1C	2493
+c1([N+]([O-])=O)cc(C(=O)O)ccc1NCCCC	205
+CC(C)(C)OC(NCc1cc(C(=O)O)c(cc1)Cl)=O	37
+C1CC1NCc2c(ccc(c2)CNC(=O)CC)Cl	42
+C(O)c1c2c(c(Cl)cc1)nc3n2CCCN3c4ccc(cc4C)C(=O)N	295
+C(c1ccc(Cl)c2c1n3CCCN(c4ccc(cc4C)C(=O)N)c3n2)(=O)OC	2393
+C(c1ccc(Cl)nc1NCCc2cccc(F)c2)(=O)OC	70
+C(#N)c1c(cccc1)-c2nc(c(C(OC)=O)cc2)NCCc3cccc(F)c3	140
+CC(C)C(=O)NNc1nc(ccc1C(=O)OC)Cl	1296
+O1C(=Cc2ccc(F)c(Br)c2)c3c(C1=O)cccc3	5963
+C1CC(CCO1)Nc2c(c(nc3c2cnn3CC)CC)CNC(=O)CC(NCc4cc(Br)c(cc4)F)=O	3543
+c1c(CO)cc(Cl)c(F)c1	611
+c1(c(Cl)c(F)ccc1C(=O)O)C	1297
+C(=O)(OC)c1cc(Cl)c(OCc2cc(F)c(cc2)F)cc1	22
+c1cc(ccc1)OCC2=CN(C(C=C2)=O)Cc3cc(F)c(cc3)F	5964
+C(C#N)c1ccc(F)c(F)c1C	163
+OC(c1cc(F)ccc1COc2cc(F)ccc2)=O	6
+Nc1cc(C)c(CCC(OC)=O)cc1Br	38
+Nc1cc(c(cc1)CCN)F	51
+C(c1ccc(c2c1cccc2)-n3ccnc3SCC(OCC)=O)#N	5965
+c1(cc(C(=O)OC)c(O)cc1NC(C)=O)[N+]([O-])=O	77
+CC(C)(C)OC(=O)NCc1cc(C(O)=O)c(O)cc1	37
+c1cc(O)c(cc1CCO)F	21
+C1CN(CCC1Oc2ncnc(c2C)Oc3c(F)cc(cc3)CC(=O)O)C(=O)OC(C)C	185
+c1cc(O)c(cc1CC(OC)=O)F	27
+c1(ccc(OC(C)=O)cc1Cl)Cn2c3nc(cc(C)c3nc2C)C(=O)OC	1484
+c1cc(cc(Br)c1OC)CC(OCC)=O	27
+c1cc(cc(Br)c1OC)CC(OC)=O	27
+c12ccc(cc1CCN(C2)Cc3ccc(OCC)cc3C)C(C)NC(C)=O	131
+c1ccccc1CN(C(C)COc2cc(c(cc2)O)C(=O)N)CC(O)COc3ccc(c(c3)O)C(=O)OC	170
+S(C)c1ccc(CC(OC)=O)cc1Cl	27
+C1CN(CCO1)C(=O)Cc2ccc([N+]([O-])=O)c(F)c2	10
+Cc1ccccc1-c2c(C(OC)=O)ccc([N+]([O-])=O)c2	11
+c1([N+]([O-])=O)cc(Cl)c(cc1)C(=O)O	1
+c1ccccc1-c2cc([N+](=O)[O-])ccc2C(OC)=O	667
+CC(C)(C)OC(=O)N1CCN(CC1C)Cc2c(cc([N+](=O)[O-])cc2)Cl	131
+c1(cc(nc(SCc2ccc([N+]([O-])=O)cc2Cl)n1)O)C	3291
+c1ccccc1COc2cc(ccc2C(=O)OC)[N+]([O-])=O	22
+[N-]=[N+]=NCc1c(ccc(CC(=O)O)c1)O	1298
+c1cc2c(cc1OC)C(Cc3cc(c(cc3)Cl)Cl)C(CC2)=O	5966
+c1cc(c(cc1Cn2c3c(c(c(cc3)OC)OC(=O)C)cc2C(OC)=O)Cl)Cl	190
+Clc1c(n[nH]c1C)C(=O)N(Cc2cc(c(cc2)Cl)Cl)CCCC	147
+c1(Cl)c(ccc(CC(OC)=O)c1)O	27
+c1ccccc1NC(=O)c2cc(c([N+]([O-])=O)cc2)Cl	67
+c1ccccc1SCc2ccc(Br)c(OC)c2C(=O)OC	1128
+c1(C(Cl)=O)ccc(c([N+]([O-])=O)c1)O	82
+c1cc(c([N+]([O-])=O)cc1CC(OC)=O)O	27
+c1cc(ccc1)C(c2ccc(Cl)cc2C)NC(=O)Cc3cc(c(O)cc3)[N+]([O-])=O	9
+c1cc(CC)cc(c1OC)-c2cc(c(cc2)O)C(CCl)=O	5
+c1(c(cc(cc1)-c2scc(CC)n2)CCC)OCCCOc3ccc4c(c3)ccn4CC(=O)OC	5967
+Cc1nc(N)nc(NCCCCC)c1Cc2ccc(cc2F)CC(OC)=O	27
+C(C)OC(=O)c1ccc(c(c1)O)C	47
+C(C)OC(=O)c1ccc(c(c1)O)F	47
+c1(sc2CCCCc2n1)-c3ccc(c(OC)c3)OCCCOc4cc5CCC(CC(=O)OCC)c5cc4	5968
+c1cc(ccc1C#N)OCCCCOc2c(C)c(c(cc2)C(CCC)=O)O	8
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(OCC)=O)#N	984
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(NCC(=O)O)=O)#N	3
+C(c1ccc(c2ccccc12)-n3c(SCC(=O)O)ncc3Br)#N	3
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(NCC(=O)OCC)=O)#N	188
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(NCCC(=O)OCC)=O)#N	9
+c1c(Br)c(CNC(C)CO)ccc1C(=O)OC	370
+CC(C)(C)CCN1CCN(CC1)C(=O)CCc2ccc(cc2C)C(OC)=O	10
+[N-]=[N+]=NCc1cc(C)c(CCC(OC)=O)cc1	1298
+C(c1ccc(cc1C)CCl)CC(OC)=O	109
+C1CC(=O)c2cc(cc(C)c12)F	214
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CCOc3ccc(CCC(OC)=O)c(C)c3	267
+c1cc(ccc1)CN2CCC(Oc3cccc(NC(c4c(cc(cc4)F)Cl)=O)n3)CC2(C)C	330
+C1CC(=O)c2cc(cc(Cl)c12)F	94
+CC1(C)CON(Cc2ccc(NC(OC)=O)cc2Cl)C1=O	5969
+FC(F)(F)CCC(N(S(=O)(=O)c1ccc(cc1)Cl)Cc2ccc(C#N)cc2F)C(N)=O	3544
+[N-]=[N+]=NCc1ccc(cc1F)C(=O)OC	545
+C(c1ccc(OCC2CO2)cc1O)(=O)OC	72
+c1(c(OC)c(ccc1)CCCCCCOc2ccc(C(OC)=O)c(O)c2)OC	8
+c1(c(C(=O)O)cnc2c1cc(F)c(-c3ccco3)n2)O	5970
+C(c1ccc(cc1OC)OC)N2C=C(C(c3c2nc(-c4occc4)c(c3)F)=O)C(=O)O	108
+c1cc(ccc1NC(=O)Cc2cnc(cc2)Cl)C	33
+C1CCCCC1NCc2cnc(cc2)Cl	87
+C(c1ccc(-c2cc(F)ncc2)nc1)N	1299
+c1cc(ccc1C)-c2cc(cc(C(=O)N(CC(C)C)C)c2)C(NCc3cnc(Cl)cc3)=O	14
+c12n(c(Cl)c(C(=O)OC)cc1)cnc2	1905
+Oc1nc2nccnc2c(c1-c3ccc(nc3Cl)Cl)O	5971
+FC(F)(F)Oc1ccc(cc1)C=Cc2occ(n2)COc3ccc(CCCCn4ccnn4)nn3	485
+C(c1ccc2CCCN(c2c1)CCOC)n3ncc(C(=O)O)c3	6
+c1cc(ccc1)CN2CCCC(Cc3ccc4OCOc4c3)C2=O	1554
+CC(C)(C)OC(N(Cc1cc2c(OCO2)cc1)CCCBr)=O	23
+c1cc(ccc1)C(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)CN4CC(CC4)O	9
+c1c(C=O)cc2cc(c(OC)c(c2c1)OC)OC	39
+Clc1ccc(c(Cl)c1)CCNC(c2ccc3c(c2)ccn3-c4ccc(CC(OC)=O)cc4C#N)=O	14
+c1cc(ccc1OC)C(=O)NNC(Cc2cc3c(cc(C(OCC)=O)s3)cc2)=O	708
+C(c1ccc2c(cc(C)n2C)c1)n3ncc(C(=O)O)c3	6
+c12ccc(nc1ccc(c2)C(=O)OC)C	47
+C1CN(CCN1Cc2cc(C(NCc3ccc4c(nccc4c3)N)=O)cnc2)Cc5c(cccc5)F	56
+CC(C)(C(C(N1C(C(NCc2cc3c(c(N)ncc3)cc2)=O)CCC1)=O)NC(OCC)=O)SC(C)C	9
+c1cc(ccc1C(=O)c2cc(cnc2)C(=O)NCc3ccc4c(ccnc4N)c3)Cn5ncc(c5)C	56
+CC(C)(C)c1ccc(cc1)-c2oc3c(N4CCN(CC4)Cc5ccc6nccnc6c5)cccc3n2	131
+C(Cc1cc2nccnc2cc1)#N	163
+c1ccccc1NC=2C(N(C=CC=2)C(C(NCc3ccc4c(noc4c3)N)=O)OCC)=O	271
+C1CCCC1CNC(=O)Cc2cc3[nH]ccc3cc2	9
+n1c2c(ccc1)cc(cc2)C(=O)OC	47
+C(c1ccc2ncccc2c1)Nc3c(ncc(Br)n3)N	941
+C(c1ccc2ncccc2c1)n3nnc4c3nc(cn4)Br	3545
+c12c(C(=O)N(C1=O)CCON=C(c3cnc4c(n3)n(Cc5ccc6c(cccn6)c5)nn4)C)cccc2	332
+c1c(c(ccc1)F)-c2nc3c(nc2)nnn3Cc4cc5c(nccc5)cc4	356
+c1cc(ccc1)C(NC(Cc2cc3c(oc(Cc4cccnc4C)c3)cc2)=O)c5ccc(Cl)cc5C	9
+c1(ccc[nH]1)C(=O)NC	1938
+C1CC1NC(c2cccc(-c3csc4cnc(Cl)nc34)c2)=O	14
+c1cc(ccc1NC(C2CN(CC(C2)N=[N+]=[N-])C(=O)c3cc(-c4occc4)ccc3)=O)Cl	30
+c1cc(ccc1NC(=O)C2CN(C(=O)c3cccc(-c4occc4)c3)CCN2C(=O)OCc5ccccc5)Cl	30
+c1ccc(cc1C#N)C(=O)NN	296
+c1c(cc(C)cc1)C(NC)=O	14
+C1CN(CCO1)c2cc(c3nc(C)n(c3c2)Cc4c(C)c(C)ccc4)Br	505
+c1cc(ccc1)COc2c(cccc2C(OC)=O)C	22
+O=C(c1cccc(-c2cc(-c3ccc(O)c(C)c3)nc(O)n2)c1)O	5972
+c1cc(CO)cc(CC(=O)OCC)c1	1555
+C1CN(CCC1N(C(C)C)Cc2cccc(CC(=O)OC)c2)c3sc4c(ccc(c4)Cl)n3	131
+C1CCC(C1)CCC(Nc2c(CC)ccc([N+](=O)[O-])c2CC)=O	31
+C(c1cccc(Cn2c3c(nc2)c(nc(NCCCC)n3)N)c1)P(OCC)(=O)C	1484
+C(c1cccc(Cl)c1CBr)(=O)OC	29
+c1c(c(c(Cl)cc1)C)Cn2c(nc3c(cc([N+]([O-])=O)cc23)Br)CF	505
+C(c1c(CC#N)c(Cl)ccc1)(=O)OC	163
+Nc1c(Cl)cccc1C(=O)OC	0
+O(Cc1cccc(F)c1)c2cc3CCNC(=O)c3cc2	22
+C1CN(CCN1C(c2cccs2)=O)C3=C(C(=O)N(Cc4cc(ccc4)F)c5ncc(cc35)F)C#N	5973
+C1NCC2C(C)c3cc(Cl)c(cc3C12)OCc4cccc(F)c4	22
+CC(C)(C)OC(=O)N1CCC(CC1)Sc2ccc(cc2)OCc3cccc(F)c3	22
+CC(C)(C)OC(=O)NC(C1CC(C(=O)O1)Cc2cc(ccc2)F)Cc3ccccc3	2494
+CC(C)c1[nH]nc(c1Cc2ccccc2OCc3cc(F)ccc3)OC4OC(C(C(C4O)O)O)CO	22
+C[Si](C)(C)c1c2n(c(C(=O)OCC)cc2ccc1)Cc3cc(F)ccc3	190
+N1(C(=O)N(C)Cc2c(Br)cccc12)Cc3cccc(F)c3	1939
+c1(N2C(CC(C(OC)=O)C2)=O)ccc(c(C)c1)OCc3cccc(F)c3	22
+c1c(c(F)cc([N+]([O-])=O)c1)OCc2cccc(F)c2	22
+O(c1c(C(=O)OC)c(C(OC)=O)ccc1)Cc2cccc(F)c2	22
+c1cc(ccc1S(=O)(=O)C)C(Cc2cccc(F)c2)C(=O)OC	3546
+c1cc(ccc1)CNC(c2c(nc(N3CCN(Cc4cc(F)ccc4)C3=O)s2)C)=O	1083
+CC(C)(C)OC(N1CCC(CC1)(C#N)c2cc(ccc2)F)=O	3297
+N1(Cc2c(ccc(-c3n(C)ncc3Cl)c2)C1=O)C(Cc4cccc(F)c4)C=O	24
+C(c1cccc(F)c1)C(CO)N2Cc3c(ccc(-c4n(C)ncc4Cl)c3)C2=O	5974
+C1CN(CCC1NCCCc2cc(F)ccc2)CC3N4C(=O)C=NC=5C=CC(=O)N(C4=5)C3	110
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ncc(Cl)c(-c3nc(ccc3)NCc4cc(F)ccc4)c2	182
+FC(F)(F)c1cc2c(c(O)c(c(SCC)n2)C(NCc3cc(ccc3)F)=O)cc1	1556
+COC(OC)C(=O)NCc1cccc(F)c1	248
+O=C(OCC)C(=Cc1cc(c(cc1)-n2cc(nc2)C)OC)CCCCNCc3cccc(F)c3	110
+C(c1cccc(F)c1)N=C=S	985
+C(c1cccc(F)c1)NC(=O)c2c(cc(Cl)nc2Cl)C	56
+C(c1cccc(F)c1)Nc2cc(C#N)cc(Cl)n2	70
+C(c1cccc(F)c1)Nc2nc(Cl)cnc2	464
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F	285
+C1CN(CCN1C)CC=2N(Cc3cc(F)ccc3)C(=S)NN=2	3547
+C(c1cccc(F)c1)NC(c2c(cc(Cl)nc2NCC)C)=O	70
+C1CN(CCO1)c2cc(c(c(NCC)n2)C(=O)NCc3cc(ccc3)F)C	43
+C(c1cccc(F)c1)Nc2cc(cc(-c3cc(ncc3Cl)F)n2)C#N	1299
+C1CC(CCC1Nc2cc(c(Cl)cn2)-c3cc(C#N)cc(NCc4cccc(c4)F)n3)N	182
+C1CC(CCC1N)Nc2cc(ccn2)-c3nc(cnc3)NCc4cccc(c4)F	182
+C(c1cccc(F)c1)Nc2nc(-c3cc(F)ncc3)cnc2	1940
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3	142
+c1cc(Oc2cc(ccc2)CN3C(c4c(cccc4C3)I)=O)c(OC)cc1	854
+c1cc(ccc1OC)CN2C(c3c(cccc3C2)I)=O	854
+C(OCC)(Cc1cccc(N)c1)=O	27
+C(c1cccc(c1)NC(OCC)=O)C(=O)O	90
+c1c(N)cc(cc1)CC(OC)=O	27
+O=C1c2c(cccc2)C(=O)N1c3cc(CC(O)=O)ccc3	668
+C(c1cccc(NC(=O)c2n(nc(C)c2)C)c1)(=O)c3ccc4c(c3)NC(=O)C4C=O	1557
+c1cc(ccc1CCN(C)C)NC=C2C(Nc3c2ccc(C(=O)c4cc(NC(=O)c5cc(nn5C)C)ccc4)c3)=O	1300
+c1cc(ccc1NC(C)CN(C)C)NC=C2C(=O)Nc3cc(ccc23)C(=O)c4cc(ccc4)NC(c5cc(C)nn5C)=O	1300
+c1cc(ccc1-n2ncc3cc(ccc23)OC(c4cccc(c4)OC)C(C)N)Cl	669
+c1cc(ccc1F)-n2ncc3c2cc(C)c(c3)OC(C(N)C)c4cc(ccc4)OC	669
+C(c1cccc(Sc2c([nH]c3cc(Cl)ccc23)C)c1)C(=O)O	1502
+Clc1ccc2c(Sc3cccc(c3)CC(OCC)=O)c([nH]c2c1)C	27
+CC(C)(C)OC(NCc1cccc([N+](=O)[O-])c1)=O	37
+c12cc([nH]c1ncc(c2)CNCc3cc(ccc3)[N+]([O-])=O)C(OC)=O	249
+c1cc(ccc1)-c2c(F)cc(OC)c(c2)C(=O)NCc3cc(ccc3)[N+](=O)[O-]	14
+O=S(=O)(Cc1cc([N+](=O)[O-])ccc1)C	1547
+C(c1cccc([N+]([O-])=O)c1)n2ncc3cnc(nc23)Nc4cnn(c4)C	486
+C(c1cccc(N)c1)n2ncc3cnc(nc23)Nc4cnn(c4)C	0
+c1([N+]([O-])=O)cccc(C(=O)OC)c1CBr	29
+Nc1c(c(C(=O)OC)ccc1)F	0
+Nc1cccc(C(=O)OC)c1O	0
+NNC(=O)c1cccc([N+]([O-])=O)c1O	296
+c1(C(NCC)=O)cccc(C(=O)OC)c1	14
+c1c(cc(cc1)CCl)C(NC)=O	14
+CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCCNC(=O)c3cccc(F)c3)C4CCC4	14
+O1C(=O)C(C(OC1(C)C)=O)C(c2cc(F)ccc2)=O	3548
+[nH]1c2c(c(NC(c3cccc(c3)F)=O)c1)c(F)c(cn2)Br	487
+CC(C)(C)OC(c1cc(ccc1)I)=O	1075
+c1ccc(cc1C(=O)OC)I	47
+c1c(C(NC(C)CO)=O)cc(I)cc1	14
+c1ccccc1COC(=O)c2cccc(I)c2	470
+C(OC(=O)Nc1cccc(CCO)c1)C	21
+C1CN(CCC1)C(c2cc(ccc2)Nc3c4c(cc[nH]4)ncn3)=O	30
+C1C2CC3CC(CC1(C3)CO)C2NC(c4cccc(OCCc5ccccn5)c4)=O	14
+C(C)OC(=O)c1cccc(c1)SCC(=O)C	47
+c1(cccc(c1Br)C#N)COC(C)=O	283
+CC(C)(C)c1ccc(cc1)N2Cc3c(C2=O)c(ccc3)Br	5975
+c1nc(ncc1)-c2cccc(c2)CCN3C(=O)c4c(cccc4C3)Br	854
+FC(F)Oc1ccc(C(N2Cc3c(C2=O)c(ccc3)[N+](=O)[O-])CC(=O)OC)cc1OCC	5976
+c1(c(c(C)ccc1)OCC#N)COCCCNc2ccc3c(cccc3)n2	149
+O(Cc1c(c(C)ccc1)OCC#N)c2cccc(O)c2	22
+c1ccc2ccc(nc2c1)COCCCCOCc3cccc(C)c3OCC#N	149
+Nc1c(C(=O)OC)cccc1O	0
+C(Cc1cccc(n1)N)SC(=O)C	2495
+C(c1cccc2c1c(C)ccc2)n3c(nc4ccccc34)SCCCC(=O)O	3
+c1c(c2c(cc1)ccn2C)CC(N)=O	645
+c1c2c(cccc2ccc1F)Cn3c4ccc(cc4c(CC(OCC)=O)c3C(OCC)=O)F	190
+c1(ccccc1-c2[nH]nc(N)c2)Br	1941
+C1(C(CC)=CN(C2CC(O)C(CN(C)C(Cc3ccccc3Br)=O)O2)C(N1)=O)=O	58
+CC(C)CC(Cc1c(cccc1)Br)C(O)=O	1917
+C(C(=O)Cl)c1ccccc1CN=[N+]=[N-]	130
+c1(-c2cn(CCc3ccccc3Cl)cn2)nccc(C(=O)N)c1	541
+C(C(C)c1ccccc1F)(=O)OC	643
+C1C2(CC1(C2)NC(C)=O)OC(c3c(cccc3)OC(=O)C)=O	279
+c1(C(Nc2cc(ccc2)F)=O)ccccc1OC(=O)C	50
+O=S(=O)(c1ccccc1CCl)CC	593
+CC(C)C(N1CCN(CC1)c2ccc(NC(c3ncccc3)=O)cc2Cl)=O	772
+c1(nsc2ccc([N+]([O-])=O)cc12)NCCNC(=O)c3ccccn3	1938
+c1cc(ccc1)NC(c2ccccn2)=O	772
+O=S(=O)(c1ccc(cc1)NC(c2ccccn2)=O)Nc3c(cccc3)Cl	772
+C1CC(CCC1NC(c2cccnc2)=O)=Cc3cc([N+]([O-])=O)ccc3	1281
+C1COCCN1Cc2c(nc(NC(=O)c3cnccc3)s2)-c4occc4	1931
+CC(C)(C#N)c1cccc(C(Nc2cc(ccc2)N(C)c3ncc4c(sc(NC(c5cnccc5)=O)n4)n3)=O)c1	1931
+c1c(C(=O)Nc2c(C(=O)N)cc(cc2C)Br)cncc1	971
+C1CN(CCC1Oc2c3cnn(c3ncn2)-c4ccc(cc4)S(=O)(=O)C)C(c5cccnc5)=O	1558
+c1ccccc1CNc2nccc(-c3c(-c4cccc(C)c4)nc(NC(c5cnccc5)=O)s3)c2	1931
+c12c(c(C(=O)C)c(O)nc1nccc2)O	5977
+c1(cccnc1NC(c2sc(cc2)Cl)=O)C(=O)O	1
+C1CN(CCN1C(=O)c2occc2)C=3c4cc(ccc4N(C)C(=O)C=3C#N)F	2496
+C(OCC)(Cc1csc(C(=O)c2occc2)c1)=O	3549
+FC(F)(F)C(c1c(cccc1)NC(c2occc2)=O)O	1129
+Clc1ccc(cc1C(=O)O)NC(=O)c2occc2	1129
+c1cc(ccc1)C(C(NC(=O)c2occc2)C)Oc3cc4cnn(c4cc3)-c5ccc(cc5)C(OC)=O	5978
+c1cc(ccc1-c2sc(cc2C)C(=O)c3occc3)F	3549
+c1cc(ccc1S(=O)(=O)C)-c2cc3c(N(C(=O)C)C(CN3C(c4occc4)=O)C)cn2	5979
+c1cc(ccc1F)CN2c3ccc(cc3C(=C(C#N)C2=O)N4CCN(CC4)C(=O)c5occc5)C	2496
+c1ccccc1CN2c3ccc(cc3C(=C(C2=O)C#N)N4CCN(CC4)C(=O)c5occc5)Cl	2496
+c1cc(ccc1S(=O)(=O)ON=C(C#N)c2cccs2)OC(=O)C	5980
+C1CC(CCN1CCc2c(ccc(NC(c3cccs3)=O)c2)C)c4c5cccc(Cl)c5[nH]c4	864
+c1(ccc(C(c2cccs2)=O)c3CCCCc13)OCC(OC)=O	5981
+Clc1ccc2N(C(=O)C)C(=O)C(C(c3sccc3)=O)c2c1	5982
+c1ccc(NC(c2sccc2)=O)cc1C#C	864
+c1cc(ccc1)CNc2nc(NC(c3cccs3)=O)c(-c4nnn[nH]4)cn2	5983
+c1cc(ccc1C(=O)OCC)-c2c(C)ccc(NC(c3cccs3)=O)c2	864
+c1cnccc1OCCCNC(=O)c2cccs2	1256
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCN(C(=O)c4cc(ncc4)-n5ccnc5)C3)C(N)=N1	30
+C1CN(CCO1)CCOc2ccc(c3c2cccc3)NC(c4cc(ncc4)Cl)=O	50
+c1cc(ccc1F)C2CN(CC23CCN(CC3)Cc4ccccc4)C(=O)c5cc(Cl)ncc5	115
+c1(nccc(c1)C(=O)OC)N2NC=C(c3cnccc3)C2=O	47
+c1ccccc1CNC(c2cc(N3NC=C(C3=O)c4cccnc4)ncc2)=O	14
+CCCc1c(N)c(ncc1)C(=O)N	314
+FC(F)(F)c1cnc(c(c1)NC(=O)c2ccncc2Cl)O	660
+C1CCCC1CC(Nc2cc3c(cc2)n(cc3Cc4c(cc(C(=O)O)cc4)OC)C(=O)C)=O	33
+C1CCCC1OC(=O)Nc2cc3c(cn(C)c3cc2)Cc4ccc(C(=O)OC)cc4OC	90
+C(c1cn(c2ccc(N)cc12)C(=O)C)c3c(cc(C(=O)O)cc3)OC	0
+C(c1cn(c2ccc(N)cc12)C)c3c(cc(cc3)C(=O)OC)OC	0
+CC(C)c1n(nnn1)-c2cc(C(=O)NCc3ncc(nc3)C)cc(-c4ccc(cn4)Cl)c2	14
+Cc1cccc2c1ncc(C(=O)CCC)c2Nc3cc(OC)ccc3OC	179
+Cc1cccc2c1ncc(C(=O)CCC)c2Nc3ccccc3OC	179
+C(CCC)(c1c(c2cccc(C(=O)C)c2nc1)Nc3ccc(cc3C)O)=O	179
+C(CCC)(c1c(c2cccc(c2nc1)O)Nc3ccc(cc3C)F)=O	179
+C(c1cnc2c(cccc2c1Cl)O)(CCC)=O	390
+c1c(nc(cc1)NC(=O)Cc2cncc(-c3cc4CCC(N(c4cc3)C)=O)c2)C	142
+C(c1cncc(-c2cc3CCC(N(c3cc2)C)=O)c1)C(=O)O	156
+CN(C)C(=O)Cc1cc(Br)cnc1	10
+n1cc(cc(c1)CC(OC)=O)Br	167
+c1ccccc1Nc2nc(ccc2C(NC)=O)C#CCCNC(=O)NCc3cccnc3	2348
+C(c1cnccc1)n2c(nnn2)-c3c(Cl)c(Br)ccc3	2497
+C(c1c(scc1)Br)C(CCCC)CC	407
+Clc1cccnc1-n2cc(Br)cc2C=O	986
+n1(c(CNC)cc2ccccc12)C	729
+C(c1nc2c(C)cc(cc2n1CCO)Br)CC	44
+FC(F)(F)C(C)(C)c1c(cc(cc1F)C2CC2C(=O)NCC(=O)c3nccn3CC)F	612
+c1(nc(C)ccc1Cl)C(=O)OC	128
+FC(F)(F)COc1ccc(OCc2ccccc2)cc1C(=O)NCc3nc(ccc3)O	93
+O=S(=O)(OCCn1c2c(nc1CCC)c(C)cc(c2)Br)C	7
+CONCCCCn1c(CCC)nc2c(N)nc3cccnc3c12	2498
+CC(C)=Nn1c2c3ccc(Br)cc3ncc2nc1CCC	5984
+C(c1nc2c(N)nc3cccnc3c2n1CCCC=NOC)CC	461
+C(c1nc2cnc3cccnc3c2n1CCCC=NOC)CC	410
+C(c1ncccc1)(O)c2cc(c(N)cc2)OCC	0
+c1c(Cc2cn3c(cccc3)c2C(=O)OC)c(c(F)cc1)C	5985
+c1c[n+]([O-])c(cc1)CCC	341
+C(c1ncccc1)CCCCCl	723
+N#CCOc1c(COc2cccc(c2)OCCc3ccccn3)cccc1C	20
+c1cc(ccc1)CN2CCC(CC2)Nc3nc(ncc3Br)NCc4ccccn4	96
+CC(C)(C)NS(=O)(=O)c1cc(cnc1)-c2nnc(c3c2cccc3-c4ccccc4)NCc5ccccn5	232
+CC(C)(C)OC(NCc1ccccn1)=O	37
+Cc1c(-c2cc3c(cc2OC)c(c([N+]([O-])=O)cn3)NCc4ncccc4)c(C)on1	105
+Cc1nc(nc(O)c1C)NCc2ncccc2	785
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)CCN(c3cc([N+]([O-])=O)c(C(NCc4ccccn4)=O)cc3)C1	14
+FC(F)(F)c1cc(nc(NCc2ncccc2)c1)Cl	70
+C(OC(OCC)c1ncc(C(=O)NCc2ccccn2)c(C)n1)C	5986
+O=C(OCC)C(=O)NCc1ncccc1	2499
+O=S(=O)(c1cc(ccc1)C(O)=O)NCc2ccccn2	71
+C(NCc1c(cccc1)OC)c2ccccn2	3550
+C(Nc1c2c(Br)csc2ccn1)c3ncccc3	2500
+c1([N+]([O-])=O)ccc(nc1)NCc2ncccc2	70
+c1(ccc(OC)cc1-c2nc3c(cccc3CNCc4ncccc4)o2)OCOC	5987
+c1c2CCCC(N(C)Cc3nc4c(cccc4)n3CC(=O)NCc5ncccc5)c2ncc1	9
+c1ccccc1-c2c(c(on2)C)COc3ccc(cn3)C(=O)NCc4ccccn4	56
+c1cc(ccc1)-c2c3c(ccc2)nc(Cl)nc3NCc4ncccc4	40
+c1ccccc1-n2ncc3c2ncnc3NN=Cc4ccc(cc4)C(NCc5ncccc5)=O	14
+c1cc(ccc1F)CN2C(N(CC2)c3nc(c(C(=O)NCc4ccccn4)s3)C)=O	454
+c1cnccc1SCCCNCc2ccccn2	1130
+c1ccccc1-c2c3c(nc(nc3NCc4ncccc4)Cl)sc2	1108
+c1ccccc1CN2C(CCC2=O)C(NC(Cc3ccccc3)C(C(NCc4ncccc4)=O)O)=O	9
+C(c1nccs1)N2C(C(Br)=CC(C(=O)OC)=C2CBr)=O	1093
+O=S(=O)(c1ccc(cc1)C)N(CC=2N(C(C(Br)=CC=2C(OC)=O)=O)Cc3sccn3)CC(=O)OC	3551
+C(c1nnc2N(CCCCC)c3nc([nH]c3C(=O)n12)Br)c4cc(ccc4)Br	866
+n1c(cc(CCCc2cc3c(cccc3)cc2)o1)C(=O)NCC4OCOC4	81
+C1CN(CCO1)C(=O)c2ccc(-c3nc(ncc3)SC)s2	867
+FC(F)(F)C(CC(=O)c1sc(c2c1CCC2)C(OC)=O)(c3cc(Cl)c(c(c3)Cl)F)O	3552
+CC(C)(C)OC(CCNC(c1ccc(Cl)s1)=O)=O	227
+s1c(C(=O)OC)ccc1Cl	1532
+c1cc(-n2cnc(CNC(c3sc(cc3)Cl)=O)c2)ncc1Br	227
+c1cc(ccc1I)-n2cnc(CNC(c3sc(cc3)Cl)=O)c2	227
+C(C)C(CC)Nc1ccc(cc1NC(Cc2ccc(Cl)s2)=O)C(OC)=O	33
+CN(C)C=CC(c1c(c2cc(ccc2s1)Cl)CC)=O	277
+C(CCc1cccs1)CCC	2501
+C(n1c(-c2c(ccc3[nH]ncc23)C)nc(c1Cl)Cl)CCC	1559
+C(n1c(-c2c(C)ccc(c2C)N)nc(c1Cl)Cl)CCC	0
+c1(ccccc1Br)Cn2c(N3CC(N)CCCC3)nc4c2C(NC(=O)N4C)=O	1811
+c1cc(ccc1)CCN2C(=O)c3c(nc(Br)n3Cc4ccccc4Br)N(C)C2=O	1474
+c1c(CC)nn(CC(O)=O)c1CC	3
+CC(C)(c1c(nc(nn1)-c2c3c(n(Cc4c(F)c(F)ccc4)n2)nc(C)cc3)O)C(=O)OC	3553
+C(n1c2c(c(n1)C(NN)=N)ccc(C)n2)c3cccc(F)c3F	3554
+O=S(=O)(c1ccccc1[N+]([O-])=O)NCCCCn2c3c4c(cccc4)nc(N)c3nc2CCOC	71
+C(COC)n1c2ccc(C(=O)O)cc2nc1-c3cc4c5ccccc5n(CC)c4cc3	1301
+c1cccn2c1ncc2C(Nc3cccc4n(CC=5C(=O)N(C(=CC=5)C)C)nc(CC)c34)=O	5988
+CC(C)CC(NC(C1CCCCC1NC(c2n(c3ccccc3c2)CCCCl)=O)=O)C#N	81
+c1cc(ccc1OCCn2cncc2)[N+]([O-])=O	57
+Clc1nc(nc(Cl)n1)Nc2cn(CC#N)cn2	3555
+[N-]=[N+]=NCCn1cnc2cc(ccc12)C(=O)OC	558
+c12c(cccc1)C(=O)N(C2=O)CCCCc3n(CC)nc(C#N)c3Br	851
+n1(C=C)cc(cn1)C(=O)OCC	5989
+CC(C)(C)OC(=O)n1nc(N)c2c1ccc(C3C(=C(C)NC(=C3C#N)C)C#N)c2	868
+C1CCCCC1NC(C2=C(O)c3c(ccc(c3)F)N(C2=O)C)=O	1112
+c12cc(C)ccc1N(C(C(C(=O)OCC)=C2OC)=O)CCCCCC	5990
+c1(C(CNCC(=O)OC)=O)c(O)c(NC2=C(OC)C(=O)C2=O)ccc1	5991
+C=1(O)c2c(N(C(=O)C=1C(C=Cc3cc(ccc3)NC(=O)COC)=O)C)nccc2	3556
+CN(C)C=CC1=C([N+]([O-])=O)C(=O)NC(=O)N1	3557
+C1CC1c2cc(ccc2-n3nnc(c3C)C(=O)NC=4C(=O)N(c5ccccc5F)N(C=4C)C)Cl	5992
+C1(=C(N=C2N(C1=O)C=C(F)C=C2)COC(C)=O)Br	3558
+C=1(C(N2C(=NC=1CO)C=CC(F)=C2)=O)Br	2502
+C1(CCCC(c2ccc(OCOC)cc2OCOC)C1)CO	3559
+n1c(C#N)c(Cl)cc(C(=O)OC)c1Cl	5993
+n1c(C#N)c(Cl)cc(C(=O)OC)c1-c2cc(F)ccc2	5994
+COc1ccc2c3C(CCCc3[nH]c2c1)=O	5995
+C1(=CC(Oc2cc(ccc12)O)=O)CCO	5996
+c1ccccc1COc2cc3c(cc2)C(=CC(=O)O3)CCO	22
+CC(C)(C)OC(=O)CN1C(N(C)C=C([N+](=O)[O-])C1=O)=O	3560
+FC(F)(F)c1cc(Oc2ccc(cc2)CSc3ncc(Cn4ccc5ccccc45)c(O)n3)ccc1Cl	3561
+O=S(=O)(OCCN1C(Cl)=CN=C(NCCc2ccccn2)C1=O)C	5997
+C1(=NCCc2ncccc2)C(N(C(=CN1)Cl)CCO)=O	59
+C(=O)(c1n(-c2c(Cl)cccn2)nc(Cl)c1)Nc3c(C)cc(C#N)cc3C(=O)NC	1302
+C1(=Nc2c(C)cc(C#N)cc2C(O1)=O)c3cc(nn3-c4ncccc4Cl)Cl	1942
+c1cc(ccc1)SCCCOc2nnc(O)c(c2Cl)Cl	5998
+C12=C(C(=O)N(CCCC)C=C1CCCC2)C(=O)O	5999
+C1(=O)C(=O)Nc2c(cc(c(c2[N+](=O)[O-])N)Cl)N1	6000
+C1(Nc2cc(c(c(c2NC1=O)N)N)Cl)=O	0
+OC(c1c(cc2c(c1)CCC2)N)=O	3562
+C1CC(c2cccc(Cl)c12)N3C(N(c4cc5c(N(C(S5)=O)C)cc4)C=C(c6nnn[nH]6)C3=O)=O	3563
+C1(C(=CN(c2cc3c(N(C(S3)=O)C)cc2)C(=O)N1C4c5cccc(c5CC4)OC)C(=O)O)=O	108
+c1c(nccc1)CN(Cc2ccccn2)CC(NC3C(=O)N4C3SCC(=C4C(OC)=O)COC(C)=O)=O	224
+c12c(c([N+]([O-])=O)c(c(Cl)c1)N)nc(O)c(n2)O	3564
+C1(=O)C=CC(=O)N1CCCCN2C(=O)N=NC2=O	6001
+CC1(C)CC2=C(C(c3ccc(Sc4[nH]c5ccccc5n4)o3)c6c[nH]c(c6N2)C(=O)OCC)C(=O)C1	2503
+CC1(C)CC(=O)C2=C(NC(=C(C2c3ccccn3)C(=O)OCC)COCCN=[N+]=[N-])C1	6002
+C1c2c(cccc2OC)C3CCNC3C1	15
+CC(C)CC(C(=O)NC)NC(=O)C(CC(C)C)CP(=O)(O)CN1C(CCC1=O)=O	1560
+C1(=O)CCC(=O)N1Cc2ccc3c(nc(cc3-c4ccc(cc4)F)C(N)=O)c2F	247
+C1(=O)CCC(=O)N1Cc2c(F)c3c(cc2)c(cc(n3)C(=O)O)-c4ccc(cc4)F	1
+C1CN(CCN1C=2c3c(Nc4c(cc(CNC(=O)CCC(=O)OC)cc4)N=2)sc(c3)C)C	1280
+O=S(=O)(c1cnc(cc1)OCCC2CC2C3CCN(CC3)C(OCC4CC4)=O)C	613
+C1CC(CCN1C(OCC2CC2)=O)C3CC3CCOc4cc(F)c(CC(=O)N5CCC5)cc4	613
+n1c(C)sc2c1CCCC2=O	6003
+c12sc(nc1CCCC2=O)NC	3565
+C1CC(CCN1c2nc3c(cccc3)cc2)CCN4C(OCC4=O)=O	2504
+c1cc(ccc1CCN2C(COC2=O)=O)-n3ccc4cccnc34	2504
+c1cc(ccc1Br)CCN2C(COC2=O)=O	2504
+c1cc(ccc1)C(c2ccccc2)=Nc3cnc(c(C4(NC(=O)COC4)CF)c3)Cl	6004
+C1(=O)COCC(CF)(c2cc(Br)cnc2Cl)N1	559
+Clc1cnc(cc1)C(Nc2nc(C3(CF)COCC(=O)N3)ccc2)=O	6005
+C1(=O)COCC(c2nc(ccc2)Br)(CF)N1	559
+C1CN(CCN1c2ccccc2OC)CCCCN3C(CSC3)=O	28
+CC(C)(C)OC(=O)C(ON=C(c1cc(Cl)c(O)cc1)C(=O)NC2C3SCC(CSc4nnnn4C)=C(N3C2=O)C(=O)O)C	471
+CC(C)ON=C(C(NC1C2SCC(CSc3nnnn3C)=C(N2C1=O)C(=O)O)=O)c4csc(NC=O)n4	471
+O=C(C(=NOC)c1csc(N)n1)NC2C(=O)N3C(=C(CSc4n(C)nnn4)CSC23)C(=O)O	471
+[N-]=[N+]=NCCON=C(C(=O)NC1C(=O)N2C(=C(CSc3n(C)nnn3)CSC12)C(=O)O)c4csc(NC=O)n4	471
+O=S(=O)(c1n(CC(=O)NC2C3N(C2=O)C(C(=O)O)=C(CSc4nnnn4C)CS3)ccn1)C	952
+CC(C)(C)OC(CON=C(C(NC1C(N2C(C(O)=O)=C(CSC12)COC(=O)CC(=O)C)=O)=O)c3nc(sc3Br)N)=O	471
+C1CC1CN2C(NC(C=C2Cl)=O)=O	6006
+C1(=O)NC(C(=O)N1)CC(OC)=O	27
+c1cc(ccc1OC)CN2C(C(NC2=O)CC(OC)=O)=O	6007
+C1(=C(C(NC(=O)N1)=O)[N+]([O-])=O)C	2429
+C1(=O)NC(NC(=O)C12C3N(c4c(cc5c(CO)noc5c4F)C2)CC(C)OC3C)=O	194
+O=C1NC(NC(=O)C12C3C(OC(C)CN3c4c(cc(CO)c(F)c4F)C2)C)=O	59
+C1(COc2c(c(F)c(cc2)CCCl)N1C)=O	239
+C1(=O)Nc2c(OC1)cccc2OCC(OCC)=O	52
+C(OC(COc1cccc2OCC(=O)N(c12)C)=O)C	239
+c12c(N(C(C(N1)=O)=O)N)cc(Br)c(c2[N+]([O-])=O)Br	6008
+c12ccccc1OCCN2	15
+c1cc(ccc1)CC(c2ccc3OCC(Nc3c2)=O)=O	94
+c1(OC)cccc2C(NC(=O)c12)=O	6009
+c1c2CC(C3CC(N(C)C3=O)=O)C=Cc2ccc1	3566
+N1NC(c2cc(Br)ccc2C1=O)=O	6010
+c1ccccc1C(=O)c2cc(ccc2C(=O)O)Br	1943
+c1cccc2C(=O)N(C(=O)c12)CC(Cc3ccc(cc3)F)NC(c4cc(-c5c(Br)cnn5C)c(s4)Cl)=O	227
+c1cccc2C(=O)N(C(=O)c12)CC(NC(=O)c3csc(-c4n(ncc4Cl)C)n3)Cc5cccc(F)c5	2405
+c1cccc2C(=O)N(C(=O)c12)CC(NC(c3cc(-c4c(C)cnn4C)c(Cl)s3)=O)Cc5cccc(F)c5	227
+c1ccccc1Cn2c(CN)nnn2	45
+c1cc(ccc1[N+]([O-])=O)COC(c2cc(cc(c2C)O)N3C(=O)c4c(C3=O)cccc4)=O	470
+C1(=O)c2c(C(=O)N1c3ccc(c(c3)F)CC#N)cccc2	163
+C(c1ccc(N)cc1F)C#N	2505
+c1(N)c(c(Cl)ccc1C(=O)O)C	6011
+C1(=O)c2c(Oc3c(CBr)cccc13)cc(Cl)cc2	29
+CN(C)C(C1CCN(CC1)c2ccnc3c2c(C=C4Oc5cccc(O)c5C4=O)cn3C)=O	2506
+C1(=O)c2ccc(C(Cl)=O)cc2Sc3ccc(cc13)C	82
+C1(=O)c2ccc(cc2Sc3ccc(cc13)C)C(=O)OC	279
+c12OCCc1c3[nH]ccc3cc2	1561
+N1(c2c(F)cccc2C(=O)C1=O)C	3567
+c12c(F)cccc1C(=O)C(N2CCF)=O	6012
+C(=O)(c1c2c(c(F)ccc2)[nH]n1)O	6013
+O=C1c2c(C(=O)N1C(CC(CN3C(=O)c4ccccc4C3=O)=C)C(F)F)cccc2	6014
+C1CC(CCC1N)C2Oc3c(cnc4ccc(OC)nc34)NC2=O	45
+C1CC(CCC1N)OCC	45
+C1CC(CCC1OCCC)N	45
+C1CC(CCC1Oc2ccc(cc2)C(OCC)=O)N	45
+C1C(c2cccnc2)CC(N)C1	45
+NC1Cc2c3cc(C#N)ccc3n(Cc4nc(ccc4)F)c2C1	45
+CC(C)(C)OC(NCC=1N(C(=O)c2c(C=1OCCCC)cc(cc2)Br)CC3CC3)=O	2507
+c1ccc2c(c1)C(=O)N(C2=O)CCN3C(C)COCC3C	28
+C1CN(CCC1N2c3c(N(CCN4C(c5c(C4=O)cccc5)=O)C2=O)cccc3)C6CC7c8c(cccc68)CCC7	3285
+c1cccc2C(=O)N(C(=O)c12)CCOc3ccn4c(c(c(-c5ccccc5)n4)C=6C=CC(N(N=6)C(C)C)=O)c3	8
+c1ccc2C(=O)N(C(=O)c2c1)CCn3cnc(C(OC)=O)c3	541
+O=C1c2ccccc2C(=O)N1CCOc3c(-c4ccccc4)nc5c(cccc5)c3C(=O)NC(CC)c6ccccc6	458
+O=C1c2ccccc2C(=O)N1CCOc3c(cc(c(-c4ccccc4Cl)n3)-c5ccc(cc5)Cl)C#N	1923
+c1cc(ccc1CC=2c3c(cccc3)C(N(N=2)CC4CCCN4CCN5C(c6c(C5=O)cccc6)=O)=O)Cl	28
+c1cc(ccc1)C(c2ccccc2)OCC3CCN(CC3)CCN4C(=O)c5c(C4=O)cccc5	28
+C(CCCCCCCCCCCCCCC(O)=O)CN	45
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3C(=O)C(c4cc5c(OCO5)cc4O)c6ccccc36	462
+CC1(C)C(N(c2ccc(OCCCN)cc2N(C)C1=O)CC)=O	45
+c1cc(ccc1)C=2C=CC(N(CCN)N=2)=O	45
+c1(CN)c(C)onc1CCCC	45
+O=S(=O)(c1sc(cc1)CN2C(c3c(C2=O)cccc3)=O)Cl	2508
+FC(F)(F)c1cccc(S(=O)(=O)N2CCC(CC2)ON3C(=O)c4ccccc4C3=O)c1	92
+c12c(C(=O)N(C1=O)OCCOS(=O)(=O)C)cccc2	7
+C1(=O)c2ccccc2C(=O)N1c3nc(c(c(C)c3)C)Cl	174
+c1c2c(ccc1)C(=O)N(C2=O)c3cc(Br)n(Cc4ncccn4)n3	3568
+c1cccc2C(=O)N(C(=O)c12)c3cc(CC)n(n3)Cc4cc(ccc4OCC(C)C)Cl	309
+O=C1c2ccccc2C(=O)N1c3nn(c(c3)C)Cc4c(cccc4)OC	1944
+n1c(Cl)c(c(C)cc1N)C	1131
+[nH]1c(nc2c1C(=O)n3c(nnc3N2CCCCC)CCN)Br	866
+C1(=S)N(CCCCC)C(N)=C(N)C(=O)N1	721
+C1CCC1C(NC=2N(CCCCC)C(NC(=O)C=2N)=S)=O	6015
+C1(=S)N(C(=C(C(=O)N1)N=O)N)CCCCC	863
+C1(=O)C(=C2CCCCC2=CN1CCCC)C#N	6016
+FC(F)(F)COc1ccc(cc1)N2C(=S)NC=3C(=O)N(C=CC=3C2=O)Cc4c(OC)cc(cc4)OC	6017
+C(CC)CN1C(N)=C(N)C(NC1=O)=O	721
+NC=1C(NC(=O)N(CCCCC)C=1N)=O	721
+NC1=C(N)C(NC(=O)N1)=O	721
+FC(F)(F)C(NCC#CC1=CN(C2OC(C(O)C2)CO)C(NC1=O)=O)=O	6018
+c1ccccc1C(c2ccccc2)(c3ccc(cc3)OC)OCC4OC(N5C(=O)NC(C(I)=C5)=O)CC4O	604
+O=S1(=O)CCC(c2c1c(cc(c2C)C(OC3=CC(=O)CCC3)=O)C)OC(c4ccccc4)=O	6019
+c12N(C(CF)C)C(Cc1cccc2)=O	1562
+C1(=O)Nc2c(c(Br)c([N+](=O)[O-])c(Br)c2)NC1=O	77
+c12c(c(c(CC)cc1NC(=O)C(=O)N2)CC)[N+]([O-])=O	31
+C(OC(C1Cc2c3cc(OC)ccc3[nH]c2C1)=O)C	27
+O=C1CCC(=O)N1CCOc2c(OC)cc3C=4N(C=C(C(=O)C=4)C(=O)OCC)C(CC)Cc3c2	8
+CC(C)COc1cc2c(C=3N(C=C(C(=O)C=3)C(=O)OCC)C(CC)C2)cc1OC	8
+O=C1N(c2cc(OC)ccc2C(C)=C1)CCN3CC(C(OCC)=O)N(CC3)CCc4ccc5c(c4)OCCO5	61
+C1CC(C(C(=O)C=[N+]=[N-])CC1)C(=O)OC	1945
+c1(SC)nc(OC)c(I)c(NC2CC(CO)C(O)C2O)n1	40
+c1(ccc(CNC2C3CCC(C3)C2C(OC)=O)cc1C)F	42
+O=C(CNC(=O)C=1C(=O)N(Cc2c(F)cccc2)n3cccc3C=1O)O	3569
+C1C(OC(=O)C)C(OC(C)=O)C(OC(=O)C)C(O1)n2c(Br)nc3cc(c(F)cc23)F	3570
+C1CN(CCN1c2cc(ccc2OC(C)C)F)CCCN3C(C(=C(C3=O)C)C)=O	3433
+C1C(c2c([nH]c3c2cccc3)SC1)C(=NC)C	6020
+FC(F)(F)Oc1cccc(-c2cc(NC(=O)C3CNC(=O)C3C)nn2-c4ccccc4)c1	142
+CC(C)(C)[Si](C)(C)OCC1CC(OC(=O)C)CCC1(C2CCC3(C)C(CCC3=C)C2CO)C	19
+FC(F)(F)CSCC(=O)NC1C2N(C(C(O)=O)=C(COC)CS2)C1=O	952
+C1(c2cc(OC)c(cc2)OC)CC(CCC1[N+](=O)[O-])OC(=O)C	152
+C1(C(CC)=CN(C(N1)=O)C2CC(OC(=O)C)C(O2)CN(C)C(Cc3ccccc3Br)=O)=O	152
+c1(c(Cl)cccc1)C2CCC2N	733
+CC(C)(C)OC(N(C)C1C(O)CCCC1)=O	23
+OC1C(O)CN(C1)C(=O)CNC(=O)c2[nH]c3ccc(Cl)cc3c2	731
+OC1C(O)CN(C1)c2cc(nc(Cl)n2)C(=O)OC	54
+C1CC(CCN1C(=O)OCc2ccccc2)CCCCC(NC3C(=O)Nc4ccccc4SC3)C(=O)OCC	6021
+CC(C)(C)OC(=O)NC(CC(=O)NC1Cc2ccccc2NC1=O)Cc3ccccc3F	6022
+O=S(=O)(c1ccccc1)NC2C(=O)Nc3c(C2)cccc3	1946
+CC(C)(C)OC(=O)NCc1c2C(N(C3C(=O)NC(CC3)=O)C(C)=Nc2ccc1)=O	6023
+N(C(N)=O)Cc1cccc2c1C(N(C3C(=O)NC(CC3)=O)C2=O)=O	3571
+O(C)c1ccccc1Nc2cccc3C(=O)N(C4C(=O)NC(CC4)=O)C(c23)=O	3571
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)Nc4ccc5OCOc5c4)=O)=O	6024
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)OCc4cc5c(OCO5)cc4)=O)=O	3572
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)OCc4cccc(F)c4)=O)=O	3572
+c1c(Br)cc2c(C(N(C3CCC(=O)NC3=O)C2)=O)c1	3573
+CC(C)(C)OC(=O)NC(C(NC1Cc2c(NC1=O)c(N)ccc2)=O)CC(C)C	207
+CC(C)(C)OC(NC1Cc2c(NC1=O)c(cc(c2)Br)[N+](=O)[O-])=O	1245
+C=1(N(C(=S)NC(C=1N)=O)c2cc(CC)ccc2)N	721
+N1C(C(Nc2c1cc(c(c2C#N)Cl)N)=O)=O	0
+C1(C(O)C(C(O1)n2ccc3c(ncnc23)N)(O)C#C)CO	869
+CC(C)(C)OC(=O)NC(C(C)C)C(OC1C(OC(C1(C#C)O)n2c3c(cc2)c(N)ncn3)CO)=O	27
+c1cc(ccc1OP(OCC2C(C(C(N3C=CC(NC3=O)=O)O2)(C)F)O)(=O)NC(C(OC(C)C)=O)C)-c4cccc(F)c4	6025
+OCC1C(O)C(O)C2N=C(SC2O1)NC	6026
+FC(F)(F)C(NCC#CC=1C(NC(=O)N(C2OC(C(OCC=C)C2)CO)C=1)=N)=O	6027
+C1CC(C(=O)O)CN2C1CCOC2=O	4
+CC(C)(C)Nc1[n+]([O-])cc2CCC3N(CC(C(=O)OC)CC3)C(=O)c2c1	6028
+C1CC(C(=O)O)CN2C(c3c(cnc(F)c3)CCC12)=O	4
+C1(C(OC)=O)CN2C(c3c(CCC2CC1)c[n+](cc3)[O-])=O	103
+C1(C(OC)=O)CN2C(c3c(cnc(F)c3)CCC2CC1)=O	3574
+C1(C(OCC)=O)CCc2c3cc(ccc3[nH]c12)C(NO)=N	181
+C1(C(OCC)=O)CCc2c3cc(C#N)ccc3[nH]c12	180
+FC(F)(F)Oc1cc(C#N)cc(-c2nc(no2)-c3ccc4[nH]c5c(CCC5C(=O)OCC)c4c3)c1	6029
+CC(C)(C)OC(=O)NCC1Oc2c(Cl)cc(cc2C1O)Br	37
+c1c(c(ccc1)OC)-c2c(-c3cc(Cl)c(cc3O)O)n[nH]c2	3575
+CCC1(NC(C)(CC)CC2(C1C)NC(=O)NC2=O)C	6030
+CC12CCC(C(OC(C)=O)C1CCC2=C)C3(C(CC(OC(=O)C)CC3)CC=O)C	24
+c1cc(ccc1C)S(=O)(=O)OCCC2C(C)(CCC(OC(=O)C)C2)C3C(OC(C)=O)C4CCC(=C)C4(C)CC3	36
+c1cc(cc2c1C(CBr)=C(c3cnc(OC)nc3OC)C(=O)O2)OC	6031
+O(c1c(c2OC(=O)C(=C(C)c2cc1)C)C)C(=O)C	225
+C1(CN(CCC1=O)C(OCC)=O)C	66
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(C3(C(C)C)CC(CC3)NC4C(COCC4)C)=O	87
+FC(F)(F)S(=O)(=O)OC1=CCC(C(OCC)=O)CC1C	6032
+c1ccccc1CNC2C(C)CC(C(OCC)=O)CC2	87
+C1(C)CCCC(C)N1C(Cl)=O	6033
+CC1CCCC(C)N1Cc2nc(nc(c2)C)SCCCCCC	315
+C1(CCCC(C)N1C(=O)NNc2ccc(F)cn2)C	2452
+C1C(C)N(CCC1)c2n3cc(ccc3nn2)OC4CCC(N)c5ccccc45	870
+C1(C)CN(CC(C)C1)c2c(cc(cc2)B3OCC(CO3)(C)C)N	734
+C1(C)CN(CC(C)C1)c2c(N)cc(Br)cc2	0
+C1(CN(CC(C)N1S(=O)(=O)c2cccc(C#N)c2)CC(Nc3cccc(c3C)OC)=O)C	92
+C1(CN(CC(C)N1S(=O)(=O)c2ccc(cc2)C#N)CC(=O)Nc3cccc(c3C)F)C	92
+O=S(=O)(Nc1cc(ccc1Cl)N2CC(C)NC(C)C2)c3ccc(cc3)Br	69
+C1(C)CN(CC(C)O1)Cc2cc3-c4n(C(Nc3nc2)=O)ncn4	6034
+FC(F)(F)Oc1ccc(cc1)CN2c3ncc(cc3-c4ncnn4C2=O)CN5CC(C)OC(C)C5	6035
+C1(C)CN(CC(C)O1)Cc2cc(C#N)c(NC(=O)OCC)nc2	278
+c1cc(ccc1N2CC(C)NC(C)C2)OCCCN3CCCCC3	560
+CC(C)(C)OC(=O)n1nc(cc1)CN2CC(C)NC(C2)C	596
+C1(C)CN(CC(C)N1)CC(=O)Nc2c(c(OC)ccc2)C	224
+C1(C)CN(CC(C)N1)CCOCCN2c3ccccc3N(S2(=O)=O)c4ccccc4F	28
+C1(C)CN(CC(C)N1)CC(=O)Nc2cccc(c2C)F	224
+C1(C)CN(CC(C)N1)c2cc(c(cc2)Cl)N	560
+C1C(C)NC(CN1c2cc([N+]([O-])=O)c(OC)cc2)C	79
+CC1CN(CC(C)N1)c2ccc(cc2)C(=O)OCC	34
+C1CCN(C1)c2c3CC(N4c3c(c(c2F)N)C(C(C(O)=O)=C4)=O)C	34
+c1ccccc1C(Nc2ccc3C(CC(=O)c3c2)C)=O	3576
+CN(C)CCOC1C2(C(CC1)C3C(c4ccc(OC)cc4CC3)CC2)CC	649
+C1(C2(C)C(CC1)C3C(C4(C)C(=CC3=NO)CC(CC4)OC(=O)C)CC2)OC(C)=O	6036
+C1(C2(C)C(CC1)C3C(C4(C)CCC(CC4=CC3=NOCCCn5cncc5)OC(=O)C)CC2)OC(C)=O	871
+O=C1C=2CCCCC=2C(=O)N1c3cc(ccc3F)OC(C)C	313
+C12C(C(=O)C(C1=O)c3c(CC)sc(-c4ccc(cc4)Cl)c3)C5CCC2O5	460
+C1CC1c2nsc(n2)-c3c4CCCCc4sc3NC(=O)C5=C(C(O)=O)CCC5	3577
+Cc1noc(-c2c(sc3CCCc23)NC(=O)C=4CCCC=4C(=O)O)n1	3577
+CCCc1ccnc(C#N)c1	1303
+O(Cc1nc(ccc1)C#N)C2CCOC2	1304
+c1(N2CC(COc3ccon3)OC2=O)ccc(I)c(F)c1	6037
+C1CN(CCN1C)C2(CCC=COC2)CNCC3=Cc4c(cccc4)N(C)C3=O	6038
+C1CC(Nc2cccc(OCCOC(CC(=O)C)=O)c12)=O	1305
+C1CC1C(=O)N2CCC(C2)CNC(=O)CC(=O)C	3578
+C1CCCCC1N2CCN(CC2)C(=O)CC(C)=O	3579
+CC(C)(C)OC(C(C)(C)Sc1nc(CCN(CCCCCCC)C(CC(C)=O)=O)cs1)=O	3579
+C[Si](C)(C)CCOC(=O)CC(C)=O	1305
+c1cc(ccc1)CN(CC(C)(C)COC(CC(C)=O)=O)C	1305
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOC(CC(C)=O)=O	1305
+c1ccccc1C2(CCN(CC2)CCCOC(=O)CC(C)=O)c3ccccc3	1305
+c1ccccc1C2(CCN(CC2)CCNC(=O)CC(C)=O)c3ccccc3	3578
+c1ccccc1C2(CCN(CC2)CCOCCOC(=O)CC(C)=O)c3ccccc3	1305
+c1ccccc1COc2cc(ccc2)NC(=O)CC(=O)C	6039
+c1nn(c2c1C(CCO)CCC2)-c3cc(c(cc3)Cl)Cl	44
+n1cccnc1NCCCOc2cc3c(cc2)CC(c4c(C3)cccc4)CC(OCC)=O	6040
+C1(CC(OC(C)=O)=C(C(C1)=O)C(=O)C)C2CSCCC2	6041
+C1(C(CCCc2sc(C(=O)OC)cc2)C(C=CC(O)CCCC(O)C)C(O)C1)Cl	168
+CC(C)(C)[Si](C)(C)OC(CCCC(C=CC1C(CC(Cl)C1CCCc2ccc(C(OC)=O)s2)OC3CCCCO3)=O)C	1278
+CC1(C)CC(c2c(nn(-c3ccc4c(c(Br)cnc4N)c3)c2C1)C)=O	6042
+c1n(c2c(c(ncn2)Cl)n1)C3CC(C=C3)CO	6043
+NC=1CC(c2cc(C)ccc2F)CC(=O)C=1	3580
+C1(CC(CC(=O)C1=CN(C)C)c2ccc(cc2)Cl)=O	2509
+c1cc(ccc1Cl)C2Cc3c(C(C2)=O)cnc(N)n3	6044
+FC(F)(F)C(C)OCc1cc(Cl)cc(c1)-c2cc(nn2-c3ccc(cc3)F)NC(C4CC(NC4)=O)=O	142
+FC(F)(F)COCc1cccc(c1)-c2cc(NC(C3CC(NC3)=O)=O)nn2-c4ccc(cc4)F	142
+C(ON=C(C=1C(CC(CC=1OC(C)=O)C2CSCCC2)=O)C)c3sc(cc3)Cl	6045
+c1cc(ccc1COC(NCCCOc2ccc3c(CN(C)C(C(C3)CC(OC)=O)=O)c2)=O)[N+]([O-])=O	126
+C1(CC(OC)=O)C(=O)N(Cc2c(ccc(c2)O)C1)C	5
+C1(CC)Oc2c(OC1)ccc(C(=O)O)c2	872
+CC(C)(C)OC(CN1C(=O)C(C(c2ccccc2)Sc3ccccc13)NC(=O)c4[nH]c5c(cccc5)c4)=O	6046
+c1c(-c2ccc(C#N)c(F)c2)nc(nc1N3CC(CCC3C)C(NCc4ccccc4F)=O)N	9
+C1(CCC(N1C(CCl)=O)C(=O)N)C#C	83
+C1(C(=O)O)Cc2c3cc(OC)ccc3[nH]c2C1	518
+C1CCCC1NCC(N2C(C#C)CCC2C#N)=O	402
+C1CCCCC1NCC(N2C(C#C)CCC2C#N)=O	402
+CC(C)(NCC(=O)N1C(C#C)CCC1C#N)CNc2ncc(C#N)cc2	402
+C1(CCC(N1C(CCl)=O)C#N)C#C	143
+CC(C)(C)OC(N1CC(CO)CCC1C)=O	23
+n1ccnn1-c2c(C(=O)N3C(CCC(C3)CO)C)cccc2	30
+C1(c2c(cccc2)C(CC1)N3C(Nc4c3nc(nc4)-n5cnc6c5cc(F)cc6)=O)=O	3341
+C1(CCC(Nc2nc(ncc2[N+]([O-])=O)-n3cnc4c3cc(F)cc4)c5c1cccc5)=O	6047
+C1(CCC(Nc2nc(-n3cnc4c3cc(F)cc4)ncc2N)c5c1cccc5)=O	193
+c1cc(N2C(c3cc(F)cnc3)CCC2CO)nc4c(cnn14)C(=O)OCC	790
+CC(C)(C)C(=O)c1c2c(cc(OC)cc2)n(CC(=O)N3C(CCC3CCC)CCC)n1	10
+c1c(F)c(c(cc1N2CCOCC2)F)NC(CC3CCC=C3)=O	33
+c1c2CCCCC(Nc2ccc1)=O	6048
+c1(ccc(OCOC)cc1OCOC)C2CCCC(C(=O)O)C2	6049
+NC1CCCCC1c2cc(c(O)cc2)OC	157
+c1cc(ccc1CNC2C(C(=O)OC)CCCCCC2)F	42
+C1(CCCCCCC1C(OC)=O)N	167
+CC(C)C(C(N(C(C(C)C)CC(c1nc(cs1)C(OC)=O)O)CCC)=O)NC(=O)C2N(CCCC2)C	207
+FC(F)(F)c1cc(ccc1OCCCN(C(C2N(C)CCCC2)=O)C)-c3nc(C#N)c4ncn(C)c4c3	10
+CC1(C)OB(OC1(C)C)c2cn(CCC3CCCCN3C)nc2	338
+Cc1cc(cc(C)c1)-c2c(O)nc3c(cc([N+]([O-])=O)c(Cl)c3)c2OCCC4CCCCN4C	72
+c1cc(ccc1)COC(=O)N2CC(CO)CCCC2	66
+c1cc(ccc1C2(CCC2)C(N3CC(CO)CCCC3)=O)Cl	10
+C(C)OC(=O)N1CCC(CCC1)N=C=S	985
+C1COc2cc(N)ccc2N1CCC3CCCN3C	15
+C1(CCCN1C)CCN2c3ccc(N)cc3OCC2=O	0
+C1(COc2c(cccc2)O1)CN3CC(CCC3)C(=O)N	28
+c1cc(ccc1)COC(=O)N2CCCC(C(N)=O)C2	66
+Clc1ccc(c(Cl)c1)CCNc2cc(N3CC(C(=O)O)CCC3)nc(n2)OC	54
+C(C1CN(CCC1)c2cc(Cl)nc(N)n2)(=O)O	54
+c1cc(ccc1)COC(=O)N2CCCC(C(O)=O)C2	66
+c1cc(ccc1)CN2CCCC(C2)C(O)=O	48
+c1nc2c(nc(N3CCCC(C(OC)=O)C3)nc2s1)Nc4ccc(OC)c(c4)OC	117
+c12c(OC(CO1)CN3CC(Cc4c[nH]c5cc(F)ccc45)CCC3)c6c(nc(cc6)C)cc2	2510
+Clc1cc(N2CC(F)CCC2)c(cc1)[N+]([O-])=O	34
+O=S(=O)(c1c(ccc(C(=O)OC)c1)Br)N2CCCC(O)CC2	92
+c12c(cccc1)C(=O)N(C2=O)CCCCNC3CCCc4cccnc34	110
+O=S(=O)(Nc1ccc(cc1)CNC2c3ncccc3CCC2)c4ccccn4	42
+C1COCCN1CCn2c3c(cccc3)nc2CN(C)C4CCCc5cccnc45	3581
+c1cc(ccn1)Cn2c3c(nc2CN(C)C4c5ncccc5CCC4)cccc3	1947
+CCC1CNCCC1N	215
+c1c(C)cc(cc1CC(=O)N2C(CC2)(C)C(=O)OCC)C	478
+c1cc(ccc1)C(c2ccccc2)CN3CC(O)(CC3)C	123
+C1C2CCC(CC1O)N2c3nc(nc4scc(-c5ccccc5)c34)N6CC(CC6)C(=O)N	117
+C1CN(CCC1CN(C2CN(CC2)C)C)c3nc(N4CC(C(N)=O)CC4)nc5scc(c35)-c6ccccc6	117
+C1CC(CCN1c2ccc([N+](=O)[O-])c(OC)c2)N3CCC(F)C3	85
+c1cc(ccc1-n2ncc3CC4(CN(CCC4=Cc23)S(=O)(=O)c5ccc(cc5)N6CCC(F)C6)COCC7CC7)F	79
+Clc1c2c(nccc2)c(c(C(=O)C)c1)N3CC(CC3)F	1563
+c1cc(ccc1I)S(=O)(=O)N2CCC(F)C2	92
+c1(C)cc(Cl)nc(N2CC(CC2)F)c1[N+](=O)[O-]	43
+N1(C(=O)NC2CC(CC(C2)Nc3nc(ncc3F)Cl)C)CC(CC1)F	1132
+C1CNCCN1CCC2OCCc3ccccc23	1306
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4c(cc(cc4)NC(=O)C5CCOC5)C#N	1294
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2cccc(-c3nc(C4CCOC4)sc3-c5nc(ncc5)Cl)c2F	873
+C1(CCOC1)Oc2cccc(c2C(NO)=O)O	1133
+CC(C)(C)OC(=O)N1CCC(CC1)COc2c3c(OC4CCOC4)cccc3on2	6050
+c1(cc(Oc2cc3c(cc2)C(N(CO3)C)=O)cc(c1)OC4CCOC4)C(=O)Nc5ncc(C)nc5	46
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(cc(OC4CCOC4)c3)C(=O)OC	706
+C1(CCOC1)Oc2c3C(NOc3ccc2)=O	3582
+CC(C)(C)OC(NC1CCOc2cc(ccc12)C#N)=O	37
+C1CC(CCN1CCC2c3ccccc3OCC2)NC(C)=O	61
+C(CO)N(C)CCCN1c2ccc([N+]([O-])=O)cc2CCC1	15
+C1Cc2c(c3c(OCC3)nc2)C1=O	155
+c1cc(cc2C(O)CCc12)-c3cc(ccc3)F	74
+C(C1c2c(CC1)cc(cc2)F)#N	3583
+C(C)OC(N1CCc2c(ccc3CCC(OC)c23)CC1)=O	76
+c1c2CCC(Oc2c3ccccc3c1)C(=O)OCC	27
+c1cc([N+]([O-])=O)cc2C(C(CC(=O)O)CCc12)=O	77
+C1N(C(=O)Cc2cccs2)CCCC1C(=O)O	3
+CC1CNCC(C)C1NC	215
+C1C(C)OC(CN1CC(=O)NN)C	561
+c1ccccc1C(c2cc(c(N3CC(C)OC(C3)C)c(c2F)F)C=O)=O	39
+c1cc(ccc1)[Si](c2ccccc2)(OCc3c(N4CC(C)OC(C4)C)c(F)c(cc3)F)C(C)(C)C	328
+C1(CN(CC(C)O1)c2ccc(C(=O)O)c(C)c2)C	1
+C1(C)CN(CC(C)O1)c2cc(c(C(=O)Nc3cnc(Cl)c(-c4nc5ccccc5[nH]4)c3)cc2)C	487
+C1C(C)OC(CN1c2cnc(cc2)N)C	161
+O=C(C1CCCN(c2nc3c(n2Cc4c(F)cccc4Cl)C(N(C(=O)N3C)C)=O)C1)O	3
+C1CN(C(=O)OCC)CC(C)C1NCC	87
+CCOC(=O)N1CC(C)C(CC1)N	316
+C1CC1c2cccc(-c3nc4c(nc(N5CCCC(C(OCC)=O)C5)cc4)[nH]3)n2	3584
+C1(CN(c2nc(c(N)cc2)N)CCC1)C(OCC)=O	13
+CC(C)(C)OC(=O)N1CC(CO)NCC1C	6051
+C1(CN(CC(C)N1S(=O)(=O)c2cccc(c2)C#N)CC(=O)Nc3c(ccc(c3)C#N)C)C	224
+O=S(=O)(C)OCC1CNc2ccccc12	7
+c1cc(ccc1S(=O)(=O)OCC2(c3c4N(C(C=Cc4ncc3Cl)=O)C2)O)C	36
+c1ccccc1CN(CC(O)c2cccc(c2)[N+]([O-])=O)CCOCc3ccccc3	170
+C1CN(CCN1c2c3c(nc(cc3)C)ccc2)CCc4ccc5OCC(N(C)c5c4F)=O	53
+C1(COc2c(cccc2)O1)CN3CC(CCC3)CN	15
+FC(F)(F)c1c(Cn2nc(-c3ccc(cc3)F)c4c2ccc(C=C5SC(=O)N(CC(O)=O)C5=O)c4)ccc(Cl)c1	377
+Nc1cc(F)c2N(C(Cc2c1)=O)CCF	0
+C(=O)(N(C1Cc2cc([N+]([O-])=O)ccc2OC1)CCC)CC	1564
+C1(Cc2c(N1CCF)c(F)cc([N+]([O-])=O)c2)=O	31
+c1cc2NC(Cc2cc1Br)=O	38
+C1c2c(cccc2)N(C(=O)C)C1=O	1948
+c1c2NC(Cc2cc(C(CCC)=O)c1)=O	94
+c1c2NC(Cc2cc(c1)C(=O)C)=O	94
+c12ccccc1NC(C2=Cc3[nH]cc(C)c3C)=O	292
+O=S(=O)(Cl)c1cc2c(NC(=O)C2)cc1	240
+c12ccccc1NC(=O)C2=Cc3cc4c([nH]nn4)cc3	1495
+C(Nc1ccc2c(c1)COC2=C3C(Nc4ccccc34)=O)CCl	3585
+c1c2CC(Nc2ccc1C(c3cc(ccc3)[N+]([O-])=O)=O)=O	222
+c1cc(ccc1[N+](=O)[O-])C(c2cc3CC(Nc3cc2)=O)=O	222
+CN(C)C(=O)c1cc(c2nc(n(c2c1)C)C)OC3CCOc4c3ccc(F)c4	6052
+C1(N(C(=O)C(N)=CN1COC)CC(OCC)=O)=O	6053
+c1ccccc1CS(=O)(=O)NC2=CN(C(=O)N(C2=O)CC(=O)OCC)COC	6054
+O(C(=O)CCCCCCN1C(=O)CCCC1C=CC(O)CCCCC)C	1565
+N1(C2(CC(C)(N(C(CC)(C2C)C)C)CC)C(N(C)C1=O)=O)C	1949
+C1(N(C(=O)NC12C(C(CC)(N(C(C)(C2)CC)C)C)C)C)=O	113
+[nH]1c(nc2c1N(C(N(C2=O)CC)=O)CCCC)Cl	1950
+CN(C)C1CCN(C(=O)CN2C(=O)c3c(cccc3)N(CC(Nc4cc(c(cc4OC)OC)Cl)=O)C2=O)C1	10
+C1(N(C(N(c2c1nc(Cl)[nH]2)CCCCC)=O)CCCCC(=N)NO)=O	409
+c1cc(ccc1)-c2onc(n2)CCCCN3C(N(c4c([nH]c(Cl)n4)C3=O)CCCCC)=O	6055
+c1cnccc1-c2nnc(N3CCOCC3c4cc(on4)-c5cccc(Cl)c5)n2C	2511
+CC(C)(C)[Si](C)(C)OCC(N1C(c2c(c(ccc2)[N+]([O-])=O)C=C1)=O)C(=O)OC	19
+C1C(COC)N(C(=O)C2N(C(=O)CN3CCCC3=O)CCC2)CC1	21
+FC(F)(F)S(=O)(=O)Oc1cc(-c2cnccn2)nn1CC	6056
+C1(N(CCC1(O)C#Cc2cccc(-n3nc(C(=O)N)c4cc(C#N)ccc34)c2)C)=O	1134
+C1(N(CCC1(O)C#Cc2ccnc(-n3c4cccc(F)c4c(n3)C(=O)N)c2)C)=O	1134
+C12(c3c(cc(Br)cc3)OC1)C(N(CCCCC)c4ccccc24)=O	20
+C1(N(CCCCC(CO)O)C(C(=CN1C)C)=O)=O	1951
+CC(C)(C)C(OCC1CCN(CC1)CCCN2c3c(cc(c(F)c3)F)CCC2=O)=O	53
+c1cc(ccc1)C(CC)NC(=O)c2c3ccccc3nc(-c4ccccc4)c2OCCN5C(=O)c6ccccc6CC5	2430
+C1(N(CCc2c1cccc2)CCCl)=O	1307
+O=C1OCc2cc(CCN3CCN(CCc4ccc5nonc5c4)C(=O)C3)ccc12	1508
+c1cc(ccc1CCNC=2N(CCCC)C(=O)N(C(C=2)=O)Cc3c(F)cccc3)[N+]([O-])=O	6057
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O	2428
+C1(N(Cc2c(F)cccc2)C(C(N)=C(N)N1)=O)=O	721
+C1(N(c2c(Cl)cccc2)N=C(C1)C(=O)Cl)c3ccc(Br)c(F)c3	3586
+C1(N(N=C(C1)C(=O)O)c2c(Cl)cccc2)c3ccc(Br)c(F)c3	4
+C1(N(c2c(c(ccc2)C(=O)O)OC1)C)=O	1
+CC(C(c1cc2N(C(COc2cc1)=O)C)=O)c3cc(OC)ccc3Cl	1566
+CC(c1ccc(OC)cc1Cl)C(c2cc3N(C(COc3cc2)=O)C)=O	1566
+c1c(Nc2c3nccn3nc(-c4cc(CO)ccc4)c2)nc(cc1)N5CCCC5C	519
+C1(N(c2cccc(Nc3c4nccn4nc(-c5cncc(OC)c5)c3)n2)CCC1)C	2512
+C1(N(c2cccc(N)c2)C(CC1(CC)C)=O)=O	0
+c1(cc(N2C(CC(C)C2)C(NCC#N)=O)ccc1)Br	9
+C(c1ccc(C)c(C=2C(N(c3nc(SC)ncc3C=2)C)=O)c1)(=O)O	1
+c1cc(ccc1NC(NC=2C(N(c3cc(C)c(C)cc3C=2c4c(Cl)cccc4)C)=O)=O)Cl	6058
+c1cc(ccc1F)CNC2C3CC(C2C(OCC)=O)CC3	42
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(C3=O)CC(=O)OC	712
+C1(N2CCCC2c3n(-c4ccccc14)cnc3C#N)=O	6059
+C1(N2C(CCC2)c3n(-c4ccccc14)cnc3C=NO)=O	2513
+O=S(=O)(C)Nc1ccc2c(c1)C3=NC=C(C(OCC)=O)C(=O)N3C=C2C	80
+C1(N2C=C(c3ccc(N)cc3C2=NC=C1C(=O)OCC)C)=O	0
+C1(N2CCCC2c3n(cnc3CO)-c4ccccc14)=O	874
+C1(N2C(CCC2)c3n(-c4ccccc14)cnc3C=O)=O	614
+c1(F)c(Br)cc2N3C(c4c(cc(cc4)F)Oc2c1)C(NC(OC)=O)CCC3	15
+c1cc(ccc1)CNCCN2c3c(cc(C)c(Cl)c3)N=C4C(N=C(N=C24)O)=O	110
+c12c(ccc(c1)C=C3SC(=NC3=O)NCc4c(C)cccc4Cl)nc(NC)nc2OCC	3587
+C[Si](C)(C)CCOCN1C(C(C)=C(N(C1=O)C)Br)=O	6060
+FC(F)(F)c1cc(Oc2ccc(cc2)CSc3nc(c(cn3)C(=O)OCC)O)ccc1Cl	6061
+O(c1c(O)ncnc1)C	6062
+c1(cccc(C2(C)COCC(N2)=S)c1)Br	199
+C1(=O)NC(NC(=O)C12Cc3c(c(c(F)c(COC(=O)C)c3)F)N4C2C(OC(C)C4)C)=O	3588
+C1(=O)NC(NC(=O)C12Cc3c(N4C2C(C)OC(C)C4)c(F)c5c(c(no5)C(=O)OCC)c3)=O	3588
+C1(NC(NC(=O)C1=Cc2ccc(cc2)C=Cc3nc(N)nc(N)n3)=O)=O	6063
+C1C(Cc2cc(OC)ccc2C1)N(C)CCC#N	987
+C[Si](C)(C)C#CC1=CNC(NC1=O)=O	3589
+C1(=CN(C)C(NC1=O)=O)[N+]([O-])=O	6064
+FC(F)(F)c1cc(Oc2ccc(cc2)CCSc3ncc(c(O)n3)Cc4cn(C)nc4)ccc1Cl	6065
+O(C)C(OC)CCN1C(=O)NC(=O)C(=C1)c2c(F)nc(C)cc2	6066
+CN(C)C=CC(c1c2CCN3C(c2ccc1)=CC(=O)NCC3=O)=O	2409
+CC(C)(C)OC(=O)N1CC2C(C1CO)CC(C)C2	23
+n1c2cccc(C(=O)N)c2[nH]c1-c3sc(C4N(C)CCC4)cc3	113
+CC(C)(C)[Si](C)(C)OC1C(=O)NCC1	1952
+c1ccccc1[Si](c2ccccc2)(OCC3C(=O)NCCC3)C(C)(C)C	328
+c12c(C(NCC1)=O)c(c(cc2Cl)Br)Cl	38
+c1c(cc(I)c(C)c1)C2C=3C(CCC=3NC4=C2C(NN4C)=O)=O	6067
+C1(=O)C=CC(=O)N1CCCCN2C(NNC2=O)=O	6068
+C1(NNC(=O)N1CCCCN)=O	102
+CC(C)(C)OC(=O)NC(COc1cc(on1)C(OC)=O)C	6069
+CC(C)(C)OC(=O)C=Cc1cc2CC(C(OC)=O)C(=O)Nc2nc1	1953
+Clc1cc2NC(C(=O)Nc2cc1N=[N+]=[N-])=O	615
+Cc1cc2OCCNc2cc1Br	15
+c1c(cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2c1)CC(OCC)=O)Br	610
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(OCC)=O	610
+CC(C)(C)[Si](C)(C)OCC(CN1c2c(OCC1=O)ccc(c2)C)C	988
+C1CN(CCN1CCOc2cc3c(cc2)OCC(N3)=O)c4c5c(nc(cc5)C)ccc4	28
+C1(Nc2cc(-c3cc(nn3C)C)ccc2OC1)=O	2514
+Cc1nn(C)c(-c2cc3NC(=O)COc3cc2)c1Br	875
+C1(Nc2cc(CO)cnc2N3CCCC13)=O	382
+C1(Nc2cc(C(=O)O)cnc2N3CCCC13)=O	1
+C1CN(CCN1c2ncc(cc2)C(OCC)=O)Cc3cc4NC(=O)C5CCCN5c4nc3	1954
+c1c2c(c3nc[nH]c3c1Cl)nc(O)c(n2)O	6070
+C(c1ccc2c(NC(=O)CO2)c1)C(=O)O	4
+C(C)N(CC)CCNC(=O)c1c([nH]c(C)c1)C=C2C(Nc3cccc(-c4c(cccc4)F)c23)=O	292
+C1(Nc2cccc(c2OC1)C(=O)O)=O	1
+C1(N(c2c(c(C(=O)OC)ccc2)OC1)C)=O	239
+C1(Nc2cccc(c2OC1)C(CCl)=O)=O	6071
+Cc1nc(C(N2CC3C(C2CNC(c4cccc5NC(COc45)=O)=O)C3)=O)c(s1)-c6cccc(c6)C	14
+c1nc(c2n1-c3c(c(C(C)C=C)ccc3)OC2)C(=O)OCC	2515
+[N-]=[N+]=NCC(c1cccc2NC(=O)COc12)=O	6072
+c1nc(c2n1-c3c(c(ccc3)CC=C)OC2)C(=O)OCC	2515
+C1CN(CCC1NC=2c3cc(ccc3N(C)C(=O)C=2)OC)C(OCC)=O	6073
+c1cccc2[nH]cc(CNC(C3N(C(=O)C(C)N4Cc5ccccc5C4=O)CC(O)C3)=O)c12	9
+C1(C2(C(CC1)C3C(c4c(cc(OC)cc4)CC3)CC2)CC)O	6074
+C1(O)CC(C(O)=O)N(C(=O)C(C)N2Cc3ccccc3C2=O)C1	4
+O=S(=O)(OCC1C(O)c2cc(cc(Cl)c2O1)Br)C	7
+CC(C)(C)OC(=O)Nc1cc(cc([N+](=O)[O-])c1)N2C(C=C(C)C2=O)=O	6075
+c1ccn(c1)-c2c(ccc(c2)Cl)CC	1567
+FC(F)(F)c1c(c2c3c(c1)NC(=O)C(N3C(P(OCC)(OCC)=O)CC2)=O)-n4cccc4	1567
+c1ccn(c1)-c2c(F)ccc([N+]([O-])=O)c2	6076
+c1ccn(c1)-c2c(ccc([N+]([O-])=O)c2)O	1567
+c1cccn1-c2cc([N+](=O)[O-])c(N)cc2Cl	1567
+c1cccn1-c2cc([N+]([O-])=O)cc(c2)[N+]([O-])=O	1567
+C1C(C(CN(c2oc(c(C)n2)C(=O)OCC)C1)OC)NC(c3nc(Cl)c(CC)[nH]3)=O	855
+C1(OC2CC(CC(C(NC(NC)=O)=O)c3ccc(c(c3)Cl)Cl)CC2)CCCCO1	3590
+C=1C=C(C=2N(C(C(=C(C)N=2)CCCl)=O)C=1)C	6077
+C(CCCCCCCCCO)COCc1occc1	168
+C1CC(CCC1CCC)C#Cc2c(c(c(F)c3OC(CCc23)CCCCC)F)O	121
+C1(Oc2c(c(I)c(O)c(F)c2F)CC1)CCCCC	241
+C(Br)c1cccc2OC(CC)(Oc12)C	29
+FC(F)(F)c1cc(C(c2c(scc2)N)=O)ccc1	3591
+c1cc(ccc1)C(=O)c2ccsc2N	3591
+C1(CCCCC1c2cc(c(O)cc2)OC)[N+](=O)[O-]	460
+C1CCc2cccnc2C(OC(C)=O)C1	174
+c1c2c(ccc1)C(=O)N(C2=O)C(C3=C(c4ccccn4)C(N5C(=CC=CC5=N3)C)=O)C	6078
+c12c(cc(c(-c3nnc(C)s3)n1)C(C)N)cccc2Cl	45
+Clc1cc2c(cc1)Oc3ccccc3CN2C(CN)=O	1955
+c1ccccc1COc2cc(-c3cn(c4c3c(N)ncn4)C5CC(C5)CN)ccc2	45
+C1(c2c(C(=O)N1CCCC#Cc3c(N4CCCC4)nc(Cl)nc3)cccc2)=O	2516
+c1ccc2C(=O)N(C(=O)c2c1)CCCC#Cc3c(nc(nc3)Nc4ccc(cc4)C#N)NCCC	2516
+c1cc(ccc1Nc2ncc(C#CCCCN3C(=O)c4ccccc4C3=O)c(n2)N5CCCC5)C#N	55
+c1cc(ccc1)C(C)(CCCCCN)CO	45
+C12C(C3(CCC(CC3CC1O)OCCN)C)CC(O)C4(C)C2CCC4C(C)CCC(OC)=O	45
+O=S(=O)(NC(C)C)CCN	45
+C1(c2c(C(=O)N1CCc3cc(C(=O)O)nn3C)cccc2)=O	6
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2c3c(cccc3)c(cc2)CN4C(c5c(C4=O)cccc5)=O	2517
+c1cc(c(N=[N+]=[N-])cc1)N	2505
+C(OC(C)=O)C(N1C(c2c(C=C1)c(c(C)cc2)[N+]([O-])=O)=O)C	152
+C1CC(c2c1c(N)c(N)cc2)=O	562
+CC(C)(C)OC(C(C1CCCC1)c2ccc(cc2)CN3Cc4c(cc(F)c(F)c4)C3=O)=O	6079
+C1(c2c(Oc3ncccc13)ccc(c2)C=NO)=O	135
+C1(c2c(Oc3ncccc13)ccc(C#N)c2)=O	1308
+CC(C)NCC(O)c1scc(C)c1C	122
+c12C3N(C(c4c(cccc4)-n1cnc2)=O)CC3	6080
+C(N1Cc2c(cccc2)C(OC)C1)CN	15
+N1C(C)(C(COCC1=N)F)c2c(F)ccc([N+]([O-])=O)c2	3592
+C1(c2cc(ccc2Oc3ncccc13)CBr)=O	29
+c1cc(ccc1-c2c(C#N)cccc2)CN3c4c(cc(CC)s4)C(=O)N(Cc5ccc(OC)cc5OC)C3=O	3593
+C1(c2cc(F)ccc2)=CN(C(=O)C=C1)CCOc3c4ccc(cc4ncc3)OC	260
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(C=4CC(c5cc(I)ccc5)ON=4)n3)n1)C	6081
+c1(cc(C2CC(OC(=O)C)CCC2N)ccc1OC)OC	157
+CC(C)(C)OC(=O)N1CCN(CC1)CC(O)c2ccc3C=Cc4c(cc(Cl)cn4)C(c3c2)=O	170
+C1(c2cc(ccc2C=Cc3ncc(Cl)cc13)C4CO4)=O	3594
+C1(c2cc(ccc2Oc3ncccc13)CC#N)=O	163
+C1(c2c(Oc3ncccc13)ccc(C=O)c2)=O	1483
+C1(c2cc(CC(=O)O)ccc2Oc3ncccc13)=O	508
+C1(c2cc3[nH]c(-c4c(nccc4Cl)O)nc3cc2C(N1C)=O)=O	104
+[nH]1c2cc3C(N(C)C(=O)c3cc2nc1-c4c(ccnc4O)NC(Cc5cc(ccc5F)F)C)=O	105
+n1cc(cnc1N2CCc3c4ccccc4[nH]c3C2c5ccc6c(OCO6)c5)Br	117
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(ccc3c2OCC3=O)O	1092
+C(Br)c1cccc2C(=O)COc12	29
+c1cccc2C(=O)N(C(=O)c12)C3CCC(CC3)O	1889
+c1cccc2C(=O)N(C(=O)c12)C(CC(C)=C)C(F)F	1889
+c12c(cccc1)C(=O)N(C2=O)C(CCCC)c3cc(OC)c(OC)cc3	1889
+c1ccc2C(=O)N(C(c2c1)=O)C3COC4C(COC34)N	18
+c1ccc2C(=O)N(C(=O)c2c1)CCC(CC(C(OCC)=O)=O)=O	1135
+c1cc(ccc1)COc2c(nccc2)Nc3nc(CCN4C(c5c(C4=O)cccc5)=O)cs3	1102
+c1c(OCCCN)c(Cl)cc(C2=NNC(CC2)=O)c1	45
+C(Oc1cc2ccc(O)nc2cc1)CCN	45
+c1cc(cc([N+]([O-])=O)c1OCCCN)F	45
+c1cc(ccc1N)OCCCN2C(c3ccccc3C2=O)=O	106
+c1cc(ccc1NS(=O)(=O)C)OCCCN	45
+c1cc(N2C(CCC2)c3nc(ccc3)OCCCN)nc4c(cnn14)C(=O)OCC	45
+C(Oc1cccc(CO)c1)CCN	45
+C1(c2ccccc2C(=O)N1CCc3ccc(cc3)CCOS(=O)(=O)C)=O	7
+CC(C)(Cn1c(CON)nc2c1c3c(nc2N)cccc3)O	670
+c1cccc2C(c3c(C=Cc12)ccc[n+]3[O-])=O	103
+c1(nc(-c2nc(C#N)ccc2)cs1)-c3ccc(c(OCC)c3)OCC	6082
+c1cccc2c1cc3C(N(C(N)=O)O)CCn23	3595
+c1cc(ccn1)NC(=O)c2[nH]nc(Nc3c4c(cco4)nc(N5C(CCC5)c6ccccn6)n3)c2	549
+COc1cccc(NC(c2cc(Nc3c4occc4nc(N5C(CCC5)c6ncccc6)n3)n[nH]2)=O)c1	549
+C1(CCCc2cccnc12)N(C)Cc3nc4c([nH]3)cccc4	113
+C1(N(C(SC)=NC)CCOC1)c2noc(-c3cc(Cl)ccc3)c2	1956
+C12(C(CCC1C3CCc4cc(ccc4C3C(OC)C2)OC5OCCCC5)=O)C	1136
+FC(F)=C1C2(C)C(CC1)C3C(c4c(CC3)cc(cc4)OC5OCCCC5)C(OC)C2	6083
+c12c(cccc1)C3(N=C=O)C(CCCC3)CO2	6084
+C12CC=CC1(CCC3C4(C)C(CCC23)=CC(=O)CC4)C	6085
+C1CC1(c2ccnc3c2cccc3)C(=O)N4CCC5(OC(=O)c6c5ccnc6F)C4	731
+C12(c3c(OC1)cc(-c4cnccc4)cc3)C(N(CCCCC)c5ccccc25)=O	305
+c1ccccc1CNC(=O)C2=C3C(=CN(CCCC)C2=O)CCCC3	6086
+c12c(cc(c([N+]([O-])=O)c1)C)OC(C3=C2CCNC3)=O	31
+c1cc(ccc1CN2CCC3=C(C2)C(Oc4cc(ccc34)OC)=O)OC	3596
+c1cc(ccn1)CN2CC3=C(CC2)c4c(cc(cc4)OC)OC3=O	3596
+c1cc(N)c(cc1)CSc2[nH]c3c(n2)CCCC3	6087
+c12c(ncnc1CCC2)O	3597
+CC(C)(C)OC(NC1CCN(c2c(F)cc(N3C(=O)OC(Cn4ccnn4)C3)cc2)C1)=O	6088
+c1ccccc1CN2CC3N(C(C2=O)CC3)C	3598
+C1C2C(CC3C1O3)C(=O)N(C2=O)CCCN4CCN(CC4)c5cc(F)ccc5OC6CCCC6	53
+C1CC(C(O)=O)C2(CC(O)C3C4(CCC(CC4CCC3C12)=O)C)C	6089
+CC(C)(C)OC(=O)N1CC(NC(=O)NC2C3C(OC2)C(CO3)Oc4c(nccc4)C)CCC1	1957
+C12C(C3(CCC(CC3CC1O)OCCNC(c4cc(ccc4)Br)=O)C)CC(O)C5(C)C2CCC5C(C)CCC(OC)=O	14
+c1cc(ccc1O)CC(NCCOC2CCC3(C(CC(O)C4C5CCC(C5(C)C(CC34)O)C(CCC(OC)=O)C)C2)C)=O	9
+C12C(C3(CCC(CC3CC1O)OCCNC(c4cc(ccc4)Br)=O)C)CC(O)C5(C)C2CCC5C(C)CCC(=O)O	4
+O=S(=O)(c1ccc(cc1)C)OCCOC2CC3CC(O)C4C5CCC(C5(C)C(CC4C3(CC2)C)O)C(CCC(OC)=O)C	36
+C1(c2c(C(=O)N1CCOC3CC4CC(O)C5C6CCC(C6(C)C(CC5C4(CC3)C)O)C(CCC(OC)=O)C)cccc2)=O	332
+C12C(CC(C1)COc3cc4c(c(ccn4)Oc5c(cc(cc5)[N+]([O-])=O)F)cc3OC)CN(C2)C(OCc6ccccc6)=O	262
+C1C2CNCC2CC1COc3cc4c(c(ccn4)Oc5c(cc(cc5)[N+]([O-])=O)F)cc3OC	62
+CC(C)(C)OC(=O)N(CC(N1C(C#N)CCC1)=O)C2CC3C(C2)CC(C3)OC(NC(C)C)=O	1568
+C12C(CCC1)c3cc(Cl)c(cc3NC2=O)CCO	59
+Clc1cccc(CNCCc2cc3NC(C4C(CCC4)c3cc2Cl)=O)c1	1130
+C1C2C(CN1C(CN3CCC(CC3)N4C(=O)Cc5cc(ccc45)C(=O)NC)=O)CCC2	224
+C12C(CNC1)C2(c3cccc(NS(=O)(=O)C)c3)C	1569
+c1cc(ccc1)CN2CC3C(C2)C3(C)c4cccc(NS(=O)(=O)C)c4	80
+C1C2C(CN1c3cccc(Nc4cc(-c5cc(C(=O)OC)ccc5)nn6ccnc46)n3)C2	3599
+C1C2C(CN1C(=O)CCc3[nH]c4ccc(F)cc4c3C)C2(c5cc(NS(=O)(=O)C)ccc5)C	10
+O1CCOC2C1CN(C2)CC=CC(=O)Nc3c(OCC)cc4c(c3)c(ncn4)Nc5cc(ccc5)C#C	3600
+c1cc(ccc1-c2ccc(cc2)N3N=CCCC3=O)N4CCC5CN(CC45)C	79
+c1cc(ccc1N2C3CN(C)CC3CC2)Br	79
+c1cc(ccc1)C(c2ccc(cc2)N3CCC4CN(C)CC34)=O	34
+C12C(c3c(NC1=S)cccc3)CCC2	199
+C1(=N)Nc2c(C3CCCC13)cccc2	2518
+C12C(c3c(cc(CCOC(=O)C)cc3)NC1=O)CCC2	152
+C12C(CCC1)c3cc(Cl)c(CCOC(=O)C)cc3NC2=O	196
+C12C3CN(C1)CC23C=O	1137
+C12C3CN(C1)CC23C(C#N)N	2519
+C12C3NCCC1(COCC2)c4c(ccc(c4)O)C3	5
+C1CC1C(N2C3Cc4c(cc(cc4)O)C5(CC2)C3CCOC5)=O	58
+C(Cl)CN1C2C=C(CC1CC2)c3cc4c(cccc4)cc3	1507
+CC(C)(C)OC(CC1(CC2c3c(C1CC2)cccc3)O)=O	3601
+C12CC(=O)CC1C(CC2)CCCCC(CC)OC(C)=O	27
+C12CC(=O)CC1C(CC2)CCCCC(CC)O	88
+Clc1cccc(Cl)c1-c2noc(C3CC3)c2COC4(CC5CCC(C4)C56OCCO6)C	6090
+FC(F)(F)C(=O)N1C2CC(CC1CC2)=C3c4c(cc(cc4)Br)Oc5ccccc35	520
+C12CCC(CC(C1)O)N2c3c4c(-c5ccccc5)csc4nc(n3)Cl	1570
+C12CC(CC(CCC1)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O)C(N)=O	83
+CC(C)(C)OC(NCCNC(=O)C1C2(C(CC1)C3C(C(O)C2)C4(C(CC3)CC(CC4)O)C)C)=O	9
+N(C(C1CCC2C1(CC(O)C3C2CCC4CC(CCC34C)O)C)=O)C	9
+C1CC1N2c3c(c(c(c(C=C)c3C(C(C(=O)O)=C2)=O)F)N4C5CC(N(C)C5)C4)F	34
+CC(C)c1c2c(ncnc2sc1)N3C4CC(C(C4)OCCO)C3	1570
+C12CC3(CC(C1)CC(C3)C2)CC(Nc4c5c(ccc4)nc(cc5)CCCNCCCO)=O	2
+C12CC3CC(C1)CC(C2)(C3)CNC(c4c(Cl)ccc(c4)CCCNCCCCO)=O	285
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(Cl)ccc(NCCN(C(OC(C)(C)C)=O)CCS(C)=O)c4	441
+C12CC3(CC(C1)CC(C3)C2)CNC(c4c(Cl)ccc(c4)CCCO)=O	21
+C12CC3(CC(C1)CC(C3)C2)CNC(c4c(ccc(c4)-c5c(N6CC(C6)C(=O)OC)nccc5)Cl)=O	89
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4cc(-c5ccc(nc5Cl)C)ccc4Cl	89
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(nc5ccc4Cl)N6CC(N)CCC6	286
+C12CC3CC(C1)CC(C2)(C3)CNC(c4cccn5c4cc(n5)CO)=O	194
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5cc(COCC(=O)O)nn5ccc4	3
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(N6CC(CCC6)NCCC(O)=O)nc5ccc4Cl	479
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(N6CC(CCC6)NCCC#N)nc5ccc4Cl	1287
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(nc5ccc4Cl)N6CCC(NCCc7nnn[nH]7)C6	3408
+C12CC3(CC(C1)CC(C3)C2)CNC(c4cc(ccc4Cl)-c5c(nc(C)cc5)C#N)=O	1958
+C12CC3(CC(C1)CC(C3)C2)CNC(c4n5c(ccc4)nc(c5)C(OCC)=O)=O	1959
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(Cl)ccc(CCCOS(=O)(=O)C)c4	7
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(Cl)ccc(NCCN(CCSC)C(OC(C)(C)C)=O)c4	23
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(ccc(c4)-c5ccc(C)nc5C(O)=O)Cl	876
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(Cl)ccc(c4)CCC(O)=O	4
+C12CC3(CC(C1)CC(C3)C2)CNC(c4n5cc(C(O)=O)nc5ccc4)=O	6
+C12CC3(CC(C1)CC(C3)C2)COC(NC(CNC(c4sc(CCC(=O)N=C5NCCCN5)cc4)=O)C(=O)OC(C)(C)C)=O	6091
+C12CC3(CC(C1)CC(C3)C2)COC(NC(CNC(c4sc(CCC(=O)N=C5NCCCN5)cc4)=O)C(=O)OCC(C)C)=O	27
+C12CC3(CC(C1)CC(C3)C2)COC(NC(CNC(=O)c4sc(CCC(=O)N=C5NCCCN5)cc4)C(O)=O)=O	32
+C1C2CC3CC1(CC(C2)C3)c4c(CCCOCOC)cc5ccc(-c6ccc(cc6)C(OC)=O)cc5c4	6092
+C12CC3(CC(C1)CC(C3)C2)c4c(CCCO)cc5ccc(-c6ccc(cc6)C(OC)=O)cc5c4	347
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C#Cc5nc(cnc5)C	6093
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C(=O)OC	14
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C=O	24
+C1C2CC3CC1CC(C2)(C3)OCCOCCOCCOCCOCCO	6094
+C12CC3CC(C1)CC(C2)(C3)c4ccc(c(C)c4)OC	6095
+C1C2CC3CC1CC(C2)(C3)C(Nc4ccc5nc(N)sc5c4)=O	33
+C12CC3CC(C1)CC(C2)(C3)CNC(c4cc(ncc4Cl)CCC=O)=O	24
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(Cl)ccc(OCCCS(=O)(=O)CCCO)c4	1547
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(Cl)cnc(CCCO)c4	587
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5cc(nn5ccc4)COCC(=O)OCC	337
+C1C2CC3CC1(CC(C2)C3)NCc4ccc(cc4)C=CC(=O)OC	42
+CC(C)(C)OC(N1C2(CN(C2)C(NC34CC5CC(CC(C5)C3)C4)=O)CC1)=O	384
+C12CC3CC(C1)CC(C2)(C3)NC(c4ccc(nc4SCCC)Cl)=O	1272
+C12CC3CC(C1)CC(C2)(C3)NC(c4ccc(nc4SCCC)N5CCCC(CC(O)=O)C5)=O	4
+C1C2CC3CC1CC(C2)(C3)OCCOCCOCCOCCOCCN=[N+]=[N-]	133
+C12CC3CC(C1)CC(C2)(C3)c4cc(-c5cc(C=C6C(N=C(N7CCSCC7)S6)=O)ccc5)cc(F)c4O	3602
+C12CC3CC(C1)CC(C2)(C3)c4cc(c(OCC(NCCN(C)C)=O)cc4)C	9
+C1C2CC3CC1(CC(C2)C3)c4c(OCOC)c(C(=O)c5ccccc5)cc(-c6cccc(C=O)c6)c4	11
+C1C2CC3CC1(CC(C2)C3)c4ccc(c(C)c4)O	5
+C12CC3CC(C1)CC(C2)(C3)c4cc(C)c(cc4)OCC(=O)O	3
+C12CC=CC1(CCC3C4(C(=CCC23)C=C(OC)CC4)C)C	6096
+C12CCC(C1(CCC3C4C(=CC(CC4)O)CCC23)C)=C	6097
+c1ccccc1C(=O)C2CC3CCC(C2)S3	6098
+c1ccccc1-c2nnc(N3CC4CCC(C3)N4C)cc2	212
+CN(C)Cc1nc(Cl)nc(N2C3CCC2COC3)c1	1309
+c1cc(ccc1)COc2ccc3CC4CCC(Cc3c2)C4=O	22
+c1c(c(-c2n(c3c(c(N4CC5N(CC4)C(=O)CC5)nc(n3)C)n2)CCO)ccc1)Cl	1310
+C12CCC(C1(CCC3C4C(=CC(CC4)=O)CCC23)C)=C	6099
+CC(C)(C)OC(N1Cc2n(nc(C(=O)N3C4CCCC3CC(C4)C(OCC)=O)c2)CC1)=O	147
+CC(C)(C)OC(Nc1cc(ccc1C=CC(=O)N2C3CCCC2CN(C3)Cc4ccc(cc4)F)Cl)=O	404
+c1ccccc1COC(N2CCC34c5cc(ccc5CC2C3CCCC4)O)=O	66
+CC(C)(C)OC(=O)N1C(C(=O)O)CC2CCCCC12	663
+C1CC2CN(CC1C2NC)Cc3ccccc3	87
+C1C2CCC(CN1c3nc(nc(c3)Cl)-c4ccc(cc4)[N+](=O)[O-])O2	2520
+c1cc(ccc1S(=O)(=O)NCCN2CC3CN(CC(C2)O3)CCc4noc5c4cccc5)C#N	123
+C1N2CCOCC2CNC1	15
+Clc1ccc2c(cnnc2N3CC4COC(=O)N4CC3)c1	212
+c1cc(ccc1[N+](=O)[O-])-c2nc(NC(C)C)cc(N3C4COCC3CC4)n2	40
+C1C2C[Se]CC(CN1CCc3ccccc3)C2	1571
+CC(C)(C)[Si](C)(C)OCC1NCC2COCCN2C1	19
+CC(C)(C)OC(=O)N1CCOC2C1CCN(c3cc(cc(c3Cl)N)C#N)C2	23
+C1COCCN1c2c3C4CCC(c3c5n(c(nn5)C)n2)C4	212
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCOCC(OCC)=O	53
+CC(C)(C)OC(N1CC=C(c2cc3c(OCC4=NNC(=O)C(C)N34)cc2-c5ccccc5F)CC1)=O	563
+C1=2COc3cc(c(cc3N1C(C)C(NN=2)=O)Br)-c4ccccc4F	38
+c1cc(ccc1C)S(=O)(=O)OCCN2C(N(N3C4=C(N=CN(N)C4=NC23)c5ccco5)C)=O	36
+C1CC1C=2Cc3c(Cl)cccc3C=2	6100
+Cc1c(nc(cc1)COC(C)=O)C#N	6101
+c12N(C=C(C(=O)OCC)C(=O)c1cc(c(N3CCC(N)C3)c2F)F)C(CCl)C	34
+c1ccccc1COC2=COC(=CC2=O)CN=[N+]=[N-]	3603
+N#Cc1cc(F)c(cc1F)C2=CCN(CC2)C	1572
+n1c2c(ccc(Nc3cc(C=4CCN(C)CC=4)ncn3)c2)ccc1	1960
+C1CNCCC1c2cc3c(cc2OC)nnc(c3Nc4c(cc(cc4)C)F)C(N)=O	191
+C1CC(CCO1)c2c(nccc2)F	671
+C1COCCC1c2ccnc(F)c2	191
+n1(C)ncc(C=2NC(n3c(ncc3)C=2)=O)c1	6102
+c1cc(ccc1)Oc2cc(C)c([N+](=O)[O-])cc2C=3C=CC(=O)N(C)C=3	46
+C1CC(CCN1)c2cccc(c2F)F	191
+c1(C)cc(cc(C)n1)Oc2c(cc(C3=C(C(N(CCCC)C=C3)=O)C#N)cc2)F	6103
+c1(nc(ccc1C)C#N)COC(C)=O	6104
+C1=CC(Br)=CC(N1CC(CO)C)=O	95
+C1=CC(Br)=CC(N1CC(COC)C)=O	76
+c1cc(ccc1C2=CC(N(C=C2)CC(COC)C)=O)C(C)N3CCC(c4ccccc4)(OC3=O)CC(C)(C)O	6105
+c1cc(ccc1)C2CCN(CC2)C3=CC(=O)N(C=C3)CCCC	6106
+CC1(C)C(C)(C)OB(O1)C=2C=CN(CCO)C(C=2)=O	6107
+FC(F)(F)C(O)(C(C)c1c(Cl)c(Cl)c(OC)cc1)C=2C=CC(N(C)C=2)=O	6108
+C(C)N(CC)C(C)CC1(C=CCC=C1)c2ccccc2	15
+c1cc(ccc1C2CC(CC2)=O)Br	6109
+Cc1c2ccc(N3CC(OC3=O)Cn4nncc4)cc2on1	1961
+[nH]1c(C(NC2CCN(CC2n3nncc3)c4sc(C(OC)=O)cn4)=O)c(Cl)c(c1C)Cl	1961
+c1cc(ccc1C=2CC(Cn3nncc3)ON=2)Br	1961
+c1cc(ccc1I)N2C(=O)OC(Cn3ccnn3)C2	1961
+FC(F)(F)Oc1ccc(cc1)N2C(C3(CCN(CC3)C=4C(N(CCC)C=CC=4)=O)CC2)=O	6110
+n1cc(C=2C(N(C=CC=2)CCCCCl)=O)ccc1F	6111
+O(C(=O)C)CC=1N=C2C=CC=C(C)N2C(C=1Br)=O	3558
+OC(C=1N=C2C=CC=C(C)N2C(C=1Br)=O)C	3604
+C1=CC=C(C)N2C(C(Br)=C(N=C12)C=O)=O	3605
+c1(cc(F)ccc1)C=2C(N3C(=NC=2CO)C=CC=C3C)=O	1100
+C1=CC=C(C)N2C(C(Br)=C(CCl)N=C12)=O	2521
+O=CC1=CC=C([Se]1)c2c(c(F)c(cc2)OCC)F	3606
+C1=CCC(C1)(C(=O)OC)c2cc(O)cc(F)c2	5
+C1=CC(C=CC1)(c2ccccc2)CCOS(=O)(=O)C	7
+C1CCCC2(CC1)CCC(C2)CO	460
+C1C=CCN1C(C2CCCN(c3ccc4c([nH]c(-c5nc(ccc5)C6CC6)n4)n3)C2)=O	6112
+c1(cc(cc(F)c1)C=2C(=O)N3C(SC=C3)=NC=2C)F	6113
+C1=CSC2=NC(C)=C(I)C(N12)=O	6114
+c1c2c(c(c(F)c1)F)OCCC2	374
+c1cc2CCCOc2cc1F	374
+CC1(C)C(N(c2cc(CNCCN3C(=O)c4cc(oc4C=C3)C)ccc2N(CC)C1=O)C)=O	42
+CC(C)(C)OC(=O)NC1CC(=C)CC1C(O)=O	37
+Cc1c(COc2n(C)nc(C(=O)OC)c2)c(no1)-c3ncccc3	6115
+Clc1n2c(ccn2)nc(c1)C(=O)OC	6116
+c1(c(NC2=C(C(CCC2)=O)C)cc([N+]([O-])=O)cc1)Cl	6117
+C1(C(CC1)=NO)c2ccccc2Cl	350
+Nc1cc2CC(CCCc2cc1)=O	0
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C3=CCCCC3)C4CC(=O)N(C(C4)=O)C	616
+C1C(=O)N(C(CC1c2cc(c(cc2)N)C=3CCCCC=3)=O)C	989
+C1C(=O)N(C(CC1c2ccc(N)c(c2)Br)=O)C	38
+C1CN(CCC12CCNC(C2)=O)Cc3ccccc3	3598
+CC1(C)CCC(c2cc(ccc2N)C3CC(=O)NC(C3)=O)=CC1	989
+C1C(=O)NC(CC1c2cc(c(cc2)N)Br)=O	38
+CC(C)CC(CP(CN1C(CCCC1=O)=O)(=O)OCC)C(NC(CC(C)C)C(NC)=O)=O	6118
+C1N(CCc2c1sc(N)n2)C(=O)C	2522
+c1cc(ccc1F)C=2C(=O)CCC=2OCC	6119
+Clc1cc(cc(Cl)c1)COC(N2CCC(CC2)CCN(C)C(C=3CC(=O)NN=3)=O)=O	6120
+C1(N(CC(=O)N2CCCC2C(=O)N3C(C(=O)OC)CCC3)CCC1)=O	478
+N1(c2ccc(C)c(c2C)COc3cccc4ccc(C)nc34)C(CO)CCC1	21
+c1cnc(Cl)c(CNC(C2c3cnn(C)c3CCC2)=O)n1	9
+C12=C(CCNC1)c3c(cc(OC)cc3)OC2=O	3607
+c1(cc(NC(N2Cc3c(CC2)nc(nc3O)-c4ccc5OCOc5c4)=O)ccc1)CC	6121
+C1(CCN(CC1CC)C(=O)OCC)N	316
+C1C(C(CN(c2oc(C(=O)O)c(C)n2)C1)OC)NC(c3nc(Cl)c(CC)[nH]3)=O	6
+O=S(=O)(N(c1ccncn1)Cc2ccc(cc2OC)OC)c3ccc(c(c3F)F)OC4CCCC4c5ccnn5C	57
+c1(cc(ccc1F)CNC2C(CCC2)C(OC)=O)C	42
+c1c(C(C2CC2C(OC)=O)=O)cc(c3OCCCc13)Cl	94
+C1C(C(=O)O)N(C(=O)CN2CCCC2=O)CC1	4
+CC(C)(C)OC(=O)NC1C(N2C(C(=O)OC)CCCC2SCC1)=O	1245
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	2523
+C1C(C)C(C(CN1C(OCC)=O)C)N	316
+C1(CN(CC(C)C1NC)C(OCC)=O)C	87
+C1CN(C(=O)OC)CC(C)C1Nc2c([N+]([O-])=O)cc(Cl)cc2	205
+C1C(NC(=O)c2c(c(Cl)c([nH]2)C)C#N)C(C)CN(C1)C(=O)OC	81
+Fc1cc(cc(F)c1OCC#C)C(NC2C(CCC2)C)=O	93
+C1C(C)CC(CC1CC(=O)OCC)C	774
+CC1CC(CC(C)C1)CC(O)=O	3
+N(C(C)=O)C1C(=O)NC(C(NC(CC(C)CCCCCCC1)C(O)CC(C)C(NCCCC)=O)=O)C	952
+CC1CN(CC(C)N1Cc2ccccc2)c3cc4c(C(=O)N(C)C)coc4cc3	79
+C1(CNCC(C)N1S(=O)(=O)c2cccc(C#N)c2)C	25
+c1cc(ccc1Nc2ncn(-c3ccnc(N4CC(C)N(C(C4)C)C(=O)C)c3)n2)N	1497
+C1(COCC(C)N1CCNC(C2CCCCN2c3nc4c(cccc4)o3)=O)C	9
+CC(C)(C)c1onc(c1)NC(NC2CCC(c3c2cccc3)Oc4ccc5nnc(N6CCCCC6C)n5c4)=O	1962
+C1C(C)NC(CN1c2ccc(c(N)c2)OC)C	0
+O=S(=O)(c1ccc(Br)cc1Cl)Nc2c(OC)ccc(N3CC(C)NC(C3)C)c2	69
+C1(CN(CC(C)N1C)c2ccc3occ(c3c2)C(=O)N(C)C)C	113
+CC1CC(CC(C)O1)(c2nc(COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC)cs2)O	1963
+c1cc(ccc1S(=O)(=O)n2c3cc(cc(c3cn2)C(=O)NNC(=O)CN4CC(C)OC(C4)C)Br)C	2524
+CC1CN(CC(C)O1)CCNC(=O)Nc2nc3c(cc(cc3)SC#N)s2	238
+CC1(C)C(C)(C)OB(O1)c2cc(C=O)c(c(c2F)F)N3CC(C)OC(C)C3	17
+C[Si](C)(C)C#Cc1cc(c(N2CC(C)OC(C2)C)c(c1F)F)C=O	263
+C1C(C)OC(CN1c2ncc(cc2)C=C(F)c3nn(Cc4ccc(nc4)F)c(C)c3)C	6122
+C1(C)CN(CC(C)O1)c2ccc(Nc3nc4N(C(=O)C(Br)=C(C)c4cn3)C5CCCC5)nc2	3608
+C1C(C)OC(CN1c2ncc(cc2)C=C(F)c3nn(Cc4cnc(cc4)NC)c(C)c3)C	182
+c1cc(ccc1C)CCN(C)CCCCCC2C3C4C(C)(CC(C3c5ccc(O)cc5C2)F)C(CC4)O	28
+ClC(=NO)C1CCC2CC2C1	1964
+N1(Cc2cc(C(OCC)=O)sc2CC1)C(OCC)=O	3609
+C1C(C=NO)CCC2CC12	410
+c1(cccc(C2CN(C(C2)=O)c3cccc(C(=O)N)c3)c1)Oc4ccccc4C#N	472
+C1C(CC(N)=O)CC(C)CC1	83
+C1C(CC(NCC(N)=O)=O)CC(C)CC1	207
+C1CC(CCC1(c2cccnc2)C#N)=O	1965
+N1(C(CC(SC(=O)C)C1)C(=O)N)C	6123
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3cc4c(ncnc4cc3)NC5CCNC(C5)=O	40
+C1C(c2cccnc2)CC(O)C1	59
+C1C(CC1=O)c2nc(c3c(Cl)nccn23)I	6124
+c1cc(ccc1C2(CC(C2)=O)CC(OCC)=O)O	86
+C1C(CC1OS(=O)(=O)C)(C#N)c2ccccn2	7
+C1CCC1(C(=O)C)c2ccc3ccccc3c2	3610
+C1C(CC1)(C(=O)N2CCC(Nc3cc(c4c(ccc(c4)O)n3)C)C2)c5ccc(cc5)Cl	5
+C1CN(CCO1)c2nc(Nc3ccc(cc3)C4(CCC4)C(OC)=O)nc5c2CCC5	55
+c1cc(ccc1Nc2nc(Cl)nc3CCCc23)C4(CCC4)C(OC)=O	73
+C1C(CC1)(C(O)CN2CCCCC2)c3ccccc3	100
+C1CCC1(C)C(Nc2c(cnc(n2)Cl)F)CC(=O)OC	40
+FC(F)(F)Oc1ccc(cc1)C#CCC2(CCC2)C(=O)OCC	121
+CC(C)(C)OC(=O)N1CC(C(=O)CC1)C(=O)C2(CCC2)C	6125
+C1C(CC1)(c2c(cc(cc2)Cl)OC)C=3c4cc(O)ccc4CCN=3	16
+O=S(=O)(CCC)NCCOc1cc2C(C3(CCC3)c4nc(Cl)ccc4)=NCCc2cc1	111
+C1C(CC1)(CC(N)=S)COCc2ccccc2	3378
+c1cc(ccc1)-c2csc(CC3(CCC3)COCc4ccccc4)n2	963
+c1cc(ccc1)-c2nc(sc2)CC3(CCC3)COC(=O)NC(C(O)C(NC(c4ccccc4)C)=O)CCCC	6126
+C1C(CC1)(F)c2ccc(C)[n+]([O-])c2Cl	103
+C1C(CC1)(O)c2sc(cn2)-c3cc(cc(c3)Nc4nc(-c5cnn(c5)CC(C)(C)O)ccn4)C	55
+C1C(CC1)(F)c2ccc(nc2Cl)C	6127
+CC(C)(C)OC(NCCOc1cc2C(C3(CCC3)c4nc(Cl)ccc4)=NCCc2cc1)=O	8
+C1CCC1(c2ncc(s2)Br)O	617
+C1CCC1=CC(Nc2cc(F)ccc2)=O	1966
+C1CCC1Oc2c3CCC(N(c3ccc2Br)C(C4CC4)=O)C	521
+CC(C)(C)OC(NC(C)COC1CCN(CC1)c2nc3c(cc(OC4CCC4)cc3)o2)=O	521
+C1CCC1n2c3cc(ccc3c(C#N)c2)OC	6128
+C1C(CC1)c2[nH]c3cnc(cc3c2)Cl	6129
+C1CCC1c2cc3c(nccc3)[nH]2	6130
+c1cc(ccc1-c2csc(NC(C3CCC3)=O)n2)C(C)C	290
+C1C(CC1)C(N2CC(Nc3c(cnc(-c4c[nH]c5ncc(cc45)Cl)n3)F)CCC2)=O	58
+C1C(CC1)C(=O)N2CC(c3c4cccc5CCCn(c3)c45)C(c6c7c(cccc7)[nH]c6)C2	58
+c1cc(ccc1C(=O)C2CCC2)C	94
+C1C(CC1)C(NNC(c2ccc(cc2)C3(CCN(CC3)Cc4ccccc4)c5cc(OC)ccc5)=O)=O	1086
+c1cc(ccc1NC(C=2C(=O)N(c3ccccc3)N(C=2C)C)=O)Oc4cc(ncc4)NC(C5CCC5)=O	195
+C1C(CC1)C(N(CCCNc2c(cnc(Cl)n2)Br)C)=O	58
+C1CC(CCN1Cc2ccccc2)(c3cccc(c3)OC)c4ccc(cc4)-c5oc(nn5)C6CCC6	877
+c1cc(ccc1COC2=CC(N(C=C2)c3ccc4c(c3)n(c(C5CCC5)n4)C)=O)Cl	953
+C1C(CC1)c2c(nnc(Cl)c2)Cl	6131
+C1CCC1C(c2c(c(ccc2)C(C)C)O)C	564
+c1cc(ccc1)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN3Cc4ccccc4C(C5CCC5)(C(O)C3)O	61
+C1CN(CCN1CC2CCC2)c3c(cc(N4CC(C)OC(C)C4)cc3)C5CCC(C)(C)CC5	28
+CC(C)(C)OC(=O)N1CCC(CC1)(COCc2ccccc2)COCC3CCC3	176
+FC(F)(F)COc1cc(ccc1[N+]([O-])=O)C(C(=O)OC)CC2CCC2	3611
+C1C(CC1)CN2C3=C(C=C(c4cc(ccc4)Cl)C2=O)CN(S(=O)(=O)C)CC3	990
+C1C(CC1)N2C(=O)Cc3cc(NCC(O)C(OC)=O)ccc23	1967
+C1C(CC1)N2C(Cc3cc(ccc23)N)=O	0
+CC(C)(C)OC(N1CCC(CC1)c2nc3CCN(C4CCC4)CCc3s2)=O	6132
+C1CCC1N2CCc3sc(-c4ccc(cc4)Br)nc3CC2	6133
+C1C(CC1)N2CCC3(CCN(CC3)c4nnc(SC)cc4)CC2	1929
+c1cc(ccc1)COC(N2CC(C2)C(=O)N3CCCN(C4CCC4)CC3)=O	10
+C1C(CC1)N2CCc3cc(Nc4ccc(N5C(=O)CCC5)cn4)ccc3CC2	201
+C1C(CC1)N2CCc3cc(NC(=O)c4ncc(Br)cc4)ccc3CC2	187
+C1C(CC1)N2CCc3c(cc(cc3)Oc4ccc(nc4)O)CC2	104
+C1C(CC1)N2CCc3cc(ccc3CC2)OCCCC(=O)OCC	8
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4ncc(nc4)Cl	842
+C1C(CC1)N2CCc3ccc(OCc4c(F)cc(F)cc4)cc3CC2	22
+C1C(CC1)N2CCc3c(CC2)cc(cc3)Oc4cnc(cc4)OC	706
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4cnc(cc4)C#N	6134
+C1C(CC1)N2CCc3c(cc(cc3)Oc4cnc(nc4)C#N)CC2	6135
+C1C(CC1)N2CCc3c(ccc(c3)Oc4c(N5C(=O)CCC5)nccn4)CC2	842
+C1C(CC1)N2CCc3nc(C4CCN(CC4)C(=O)N5CCCC5)sc3CC2	776
+C1C(CC1)N2CCc3c(CC2)ccc(O)c3	16
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4ccc(cc4F)N5CCN(C)C5=O	6136
+c1nc(ncc1C(NCc2cc3c(cc2)CCN(C4CCC4)CC3)=O)N5CC(C5)OC	484
+C1C(CC1)N2CCc3cc(NC(=O)c4ccc(-c5cnccn5)cn4)ccc3CC2	3211
+C1C(CC1)N2CCc3cc(OCCCC(n4cncc4)=O)ccc3CC2	3612
+C1C(CC1)N2CCc3cc(OCCCC(=O)O)ccc3CC2	3
+C1C(CC1)N2CCc3c(CC2)cc(cc3)N	0
+C1C(CC1)N2CCc3c(CC2)cc(Oc4ncc(nc4)N5CCCC5=O)cc3	3613
+C1CCC1N(c2cccc(c2)F)S(=O)(=O)c3ccc(cc3)F	416
+CC(C)(C)OC(CCC(C(=O)N1CCN(CC1)C(=O)OC2CCC2)NC(OCc3ccccc3)=O)=O	10
+CC(C)(C)OC(N1CC(C1)N2CCN(CC2)C(CNc3cc(c(cc3OC)Cl)C4CCC4)=O)=O	6137
+C1CCC1c2[nH]c3c(c(cc[n+]3[O-])Cl)c2	6138
+C1C(CC1)c2cc3cc(ncc3[nH]2)N	664
+C1CCC1c2cc(c(cc2-c3cc(CC)n[nH]3)C(O)=O)C	1
+C1C(CC1)c2c(C(=O)CC(CC)=O)cc(c(C)c2)C(=O)OC	6139
+C1C(CC1)c2c(-c3cc(CC)[nH]n3)cc(c(c2)C)C(=O)OC	6140
+c1cc(ccc1O)C=NNc2nnc(Cl)c(C3CCC3)c2	878
+C1CCC1c2cc(Br)cc(c2OC)C=O	297
+C1C(CC1)c2c(Cl)nnc(c2)NN	599
+C1C(CC1)c2cc3n(nc2Cl)c(nn3)-c4ccccc4F	1968
+C1C(CC1)c2cc3n(nc2Cl)c(nn3)-c4ccccc4	1968
+c1cc(ccc1C2(CCN(CC2)C(=O)c3cc(C(OC)=O)c(C4CCC4)cc3CC)F)C#N	30
+CC(C)(CNc1nn2c(cc1C3CCC3)nnc2-c4ccccc4)CN(C)C	232
+C1C(CC1)c2cc3nnc(-c4ccccc4)n3nc2N	1969
+C1CCC1c2c(NCc3ncn(C)n3)nn4c(nnc4c2)-c5ccccc5	232
+C1CCC1c2c(c(F)c(cc2)-c3cc4OCCNc4nc3)O	5
+C1C(CC1)c2c(O)c(cc(c2)Br)C=O	38
+c1cc(ccc1)Oc2ccc(cc2)-c3c4c(N)ncnc4n(n3)C5CC6(C5)CN(C(=O)OCc7ccccc7)CCC6	3614
+C1C2(CO1)CC(C2)=CC#N	1573
+O=S1(=O)CC2(CC(C2)n3c(nc4c3ccc(Cl)c4)CCl)C1	3615
+C[Si](C)(C)CCOCn1c2ncnc(-c3cn(C4(CC(C4)C(OC)=O)CC#N)nc3)c2cc1	2525
+c1cc(ccc1OCc2cc3c(-c4ccc(OCCOCC)cc4C)csc3cc2)C5(CC(C5)=O)CC(O)=O	3
+c1cc(ccc1OCc2cc3c(cc2)scc3-c4c(cc(cc4)C5=CCS(=O)(=O)CC5)C)C6(CC(C6)=O)CC(O)=O	3
+C1C(CC1C(=O)OC)=O	167
+C1C(CC1=O)C(N(OC)C)=O	164
+C1C(CC1c2nc(no2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)=O	859
+C1C(CC1O)C(=O)N(OC)C	100
+FC(F)(F)c1c(Cl)cc(c(NC(CCC2CC(C2)=O)=O)c1)N	1294
+C1C(CC1=O)CCC(=O)O	3
+C1CN(CCC1)C2(CC(C2)COCc3ccccc3)C#N	735
+C1C(CC1c2n3c(c(Cl)ncc3)c(n2)I)N4CCN(CC4)C	85
+C1CN(CCN1C2CC(C2)c3n4c(c(Cl)ncc4)c(n3)I)C(=O)C	85
+C1C(CC1CSCCC)(CC2CC2)C#N	2455
+C1C(CC1n2c3c(c(N)ncn3)c(-c4cccc(c4)OCc5ccccc5)c2)CN(C)C	15
+CC1(C)CC(C1)C(=O)N	83
+CC(C)(C)OC(Nc1cc(-c2noc(C3CC(F)(F)C3)n2)ccc1C)=O	1289
+C1C(CC1COC(F)F)NC(N2Cc3n(nc(c3C(=O)N)-c4cccc(c4)Cl)CC2)=O	6141
+C1C(CC1=CC#N)C(=O)OC	1573
+C1C(CC1C(OC)=O)(C)O	736
+c1cc(ccc1)COC2CC(C2)c3[nH]c4c(cccc4)n3	791
+C1C(CC1(C)F)C(=O)OC	1138
+C1C(CC1N=[N+]=[N-])C(=O)O	4
+C1C(CC1C2Oc3ccccc3C(N)C2)C(=O)OCC	2526
+C1C(CC1C2CC(=NOC)c3ccccc3O2)C(=O)OCC	189
+C1C(CC1C2CC(c3ccccc3O2)=O)C(=O)OCC	6142
+C1C(CC1C(=O)O)CC#N	4
+C1CC2(CCC1O2)COc3c(F)ccc(c3)-c4cn(C5CC(C5)CN6CCS(CC6)=O)c7c4c(N)ncn7	1311
+C1CN(CCS1=O)CC2CC(C2)n3cc(-c4cccc(OCC5OCCC5)c4)c6c(N)ncnc36	1311
+C1C(CC1C=O)C(OCC)=O	24
+O=S(=O)(OCC1CC(C1)O)c2ccc(cc2)C	36
+O=S(=O)(CCC)CC1CC(C1)(C#N)CC2CC2	991
+C1C(CC1CO)N2C=C(C(=N)NC2=O)F	6143
+C1C(CC1OCC(C)(C)O)N2C(=O)C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)=C(CCC)n6ncnc26	618
+C1C(CC1N)(c2ncccc2)C#N	18
+c1ccccc1[Si](c2ccccc2)(OC3CC(C3)C(N(OC)C)=O)C(C)(C)C	328
+c1ccccc1COC(=O)C2CC(C2)Oc3c(C)cc(cc3C)-c4nc5c(nc(Oc6c(cccc6)F)nc5)o4	20
+C1C(CC1COc2ccc(c(C)n2)Br)=O	86
+C1C(CC1(c2ccc(cc2)O)CC(OCC)=O)O	59
+c1cc(ccc1Br)OCCC2CC(C2)OC3OCCCC3	20
+C1C(CC1N=[N+]=[N-])(c2ncccc2)C#N	298
+C1CN(CCN1C2CC(C2)c3n4ccnc(N)c4c(n3)I)C	522
+C1C(CC1(CO)O)c2nc(c3c(Cl)nccn23)I	3616
+O1CCOC12CC(C2)c3onc(-c4cc(NC(=O)c5n6ccccc6nc5)c(cc4)C)n3	381
+C1C(CC1CN2CCS(CC2)=O)n3cc(c4c3ncnc4N)I	1306
+O=S(=O)(OCC1CC(C1)n2cc(c3c2ncnc3N)I)c4ccc(cc4)C	1312
+O=S(=O)(c1c(cccc1)C)OCC2CCC(=CC2)CCCCC	6144
+CC(C)(C)OC(=O)N(C1CC(c2c3cc(ccc3[nH]c2)[N+](=O)[O-])CCC1)CC	23
+c1cc(ccc1F)C(=O)N2CC(NC(=O)NC3C4C(OC3)C(CO4)Oc5c(nccc5)C)CCC2	115
+n1n(c2nc(-c3cnn(C)c3)cnc2n1)CC4CCCNC4	6145
+C1C(CCCN1C(=O)c2cnc(c(Cl)c2)Nc3ccc(C)nc3)CCC	1970
+C1CN(CCC1CN(C2CCN(C)C2)C)c3c4c(csc4nc(Cl)n3)-c5ccccc5	61
+c1(cccnc1N2CC(CC2)F)CO	295
+CC(C)(C)OC(=O)N1CCCC(CN)C1	23
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)CN6CC(F)(F)C6	48
+C1CC1COc2nc(ccc2N3CC(F)(F)C3)C(=O)NC(CC)(CC)C(N4CC(C4)(F)F)=O	10
+C1C(CN1C(c2cc(N(C(c3cc4c(-c5c(OCC4)cc(cc5)Br)s3)=O)C)c(cc2)Cl)=O)(F)F	30
+C1N(CC1(F)F)c2cnc(C(OC)=O)cn2	317
+C1N(CC1(O)c2cc(cc(F)c2)Cl)CC	183
+C1N(CC1C(=O)N2CCCN(C3CCC3)CC2)C(CC)=O	58
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(-c3c(c(ccc3)CCCN4CC(C4)C(O)=O)CC)s2	61
+c1cc(ccc1CN2CC(C2)C(=O)O)-c3onc(-c4cc(C#N)c(OC(C)C)cc4)n3	48
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(-c4ccc(cc4)CN5CC(C5)C(O)=O)n3	48
+FC(F)c1nc(N2CC(C2)C(O)=O)c(cc1C(OCC)=O)C#N	43
+C1C(CN1c2c(C#N)cc(c(CC)n2)C(=O)OCC)C(O)=O	43
+C1C(CN1Cc2cc(ccc2C)NC(CC)c3cc(c(Cl)cc3)C)C(=O)O	48
+C1C(CN1c2nc(-c3cc(ncc3)Cl)cc4c2ccnc4)C(O)=O	43
+c1cc(ccc1)Cc2cc3c(cc2)oc(-c4ccc(cc4F)C(C)N5CC(C5)C(=O)O)c3	3617
+C1C(CN1Cc2ccc-3c(c2)CCc4c(noc-34)-c5ccc(cc5)CCC)C(=O)O	48
+CC(C)(C)[Si](C)(C)Oc1cc2c(cc(cc2)CN3CC(C3)C(OC)=O)cc1	48
+C1C(CN1c2cc(nc(C)n2)-n3nc(nc3C)C)C(OC)=O	54
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(=O)N6CC(C6)C(=O)OC)CCC3)n2	10
+c1ccccc1COc2ccc(cc2)C3(CC3)c4nc5c(nc(-c6c(F)cc(cc6)CN7CC(C7)C(OC)=O)s5)cc4	48
+C1C(CN1C(c2sc3ccc(-c4ccccc4)cc3c2F)=O)NC5CCN(C(=O)c6ccccc6)C5	6146
+C1N(CC1O)c2c(F)c3N(C=C(C(=O)OCC)C(c3cc2F)=O)C4CC4	34
+C1N(CC1O)CCc2ccccc2N3CCCCC3=O	61
+CC(C)(C)OC(NC(C(CC)C)C(N1CC(C1)O)=O)=O	10
+FC(F)(F)Oc1ccc(C2CC(CN(C(=O)N3CC(C3)O)C2)c4nc(OCC)no4)cc1F	468
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c(C)ccc3c2C=CN(C(CN4CC(C4)O)C)C3=O	123
+C1C(CN1c2c(cc([N+]([O-])=O)cc2)F)O	34
+C1N(CC1O)c2ncc(cc2)[N+](=O)[O-]	43
+C1N(CC1O)C(c2cc(-c3ccc(C)cc3C#N)cc(C(=O)OCC)c2)=O	30
+C1N(CC1O)C(=O)C2=C3CCCN3C(=O)C(F)=C2Nc4c(F)cc(I)cc4	6147
+C1N(CC1O)C(=O)OCc2ccccc2	66
+C1N(CC1O)C(=O)c2nnc(o2)-c3ccc(cc3)OC	3618
+CC(C)c1ccc(cc1)CN2CC(C2)O	48
+c1cc(ccc1CN2c3c(ncc(N4CC(C4)O)c3)C=CC2=O)OC	244
+C1CC(CCO1)c2cc(ncc2)N3CC(C3)c4[nH]c5c(cc(Cl)cc5)n4	361
+C1N(CC1c2nc3cc(Cl)ccc3[nH]2)c4c(cnc(Cl)n4)Cl	54
+O=S(=O)(C)N1CC(C1)c2ccc(c(F)c2)N(C)c3ncc4c(n(C)cn4)c3	112
+C1C(CN1c2ncc3ccc(Cl)cc3n2)c4c(nccn4)-c5cc(c(cc5)C(NC)=O)F	549
+C1C(CN1c2ccc3c(cc(cc3)F)n2)c4c(-c5cc(c(cc5)C(NC)=O)F)nccn4	3619
+CC(C)(C)[Si](C)(C)OCc1cccc(N2CCN(CC2)CC(=O)N3CC(C3)OC)c1F	224
+C1N(CC1C(=C)C(OCC)=O)C(OCc2ccccc2)=O	3620
+C1CN(CCC1O)c2nccnc2C3CN(C3)C(c4[nH]c5ccccc5n4)=O	317
+C1N(CC1NC)C(c2ccc(c(F)c2Nc3c(cc(cc3)I)F)F)=O	1971
+C1C(CN1CC(NC)C(C)CC)O	15
+C1N(CC1CNc2c3sccc3nc(n2)Nc4cnn(C)c4)C(C=C)=O	6148
+C1C(CN1C(OCc2ccccc2)=O)C3(CC3)C(=O)O	3
+C1N(CC1Oc2ccc(Br)cn2)C(Nc3cccnn3)=O	6149
+C1N(CC1(F)F)C(=O)c2ccc(c(c2)N(C(c3cc4CCOc5cc(C(=O)NCCS(=O)(=O)C)ccc5-c4s3)=O)C)Cl	2527
+c1cc(ccc1C(c2cccc(c2)C#N)N3CC(C3)C(c4cc(C(O)=O)cc(c4)F)C(C)(C)F)Cl	6
+c1cc(ccc1Cl)C(c2cc(ccc2)C#N)N3CC(C3)C(C(C)(C)F)c4cc(cc(F)c4)CO	217
+C1N(CC1O)CC(C(CC)C)N(C)C(c2cc(c(cc2)F)F)=O	30
+C1N(CC1Oc2ccc(cc2)Cl)CC3C(CCCC3)NC(=O)Nc4nnc(s4)CC	238
+c1ccccc1OC2CN(C2)CCC(CO)NC(=O)Nc3sc(nn3)CC	992
+c1c(OC)cc(cc1NC(=O)NC(CCN2CC(C2)Oc3ccc(cc3)Cl)CO)OC	282
+C1C(CN1CCC(CO)NC(=O)Nc2sc(nn2)CC)Oc3ccc(cc3)Cl	238
+c1cc(ccc1Cl)OC2CN(C2)CCC(NC(Nc3cc(CC)nn3C)=O)COC	238
+c1cc(ccc1)C(c2cc3c(oc(c3)-c4c(F)cc(CN5CC(C5)C(OC)=O)cc4)cc2)O	488
+C1C(CN1Cc2cc(c(C#Cc3ccc(Br)cn3)cc2)F)C(OC)=O	3621
+C1C(CN1Cc2cc(F)c(-c3oc4c(cc(cc4)C(c5ccccc5)=O)c3)cc2)C(OC)=O	1936
+C[Si](C)(C)C#Cc1c(F)cc(CN2CC(C2)C(OC)=O)cc1	263
+CC(C)(C)[Si](C)(C)n1c2c(c(c(cc2)F)-c3nc(c4nc(CN5CC(C5)N6CC(NCC6)=O)ccc4n3)N7CCOCC7)cc1	3622
+C1C(CN1Cc2ccc3nc(-n4c(nc5c4cccc5)C(F)F)nc(N6CCOCC6)c3n2)N7CCOCC7	3623
+O=S(=O)(NC(C1CN(C1)c2c(C#N)cc(c(CC)n2)C(=O)OCC)=O)Cc3ccc(F)cc3F	344
+c1cc(ccc1CS(=O)(=O)NC(C2CN(C2)c3c(C#N)cc(c(CC)n3)C(=O)OCC)=O)Cl	344
+C1C(CN1c2ccc(N)cc2F)O	0
+C1N(CC1C(N2CC(C#C)CC2)=O)c3n4nccc4nc5CCN(CCc35)C	113
+C1N(CC1C(Nc2ccccc2N)=O)c3cc(nc(C)n3)-n4nc(nc4C)C	33
+C1C(CN1c2cc(nc(C)n2)-n3nc(nc3C)C)C(O)=O	4
+c1cc(ccc1)OC(=O)Nc2cc(c(cc2)N3CC(C3)O)F	90
+c1cc(ccc1Oc2cc(OC)ncc2[N+](=O)[O-])N3CC(C3)OCCOC4CCCCO4	242
+C1N(CC1Oc2cc(ccc2Br)F)c3cnc(cn3)C(=O)O	1
+C1N(CC1C(=O)NC(C)C)c2nc(-c3cc(ncc3)Cl)cc4cnccc24	9
+C1N(CC1c2nc3ccccc3n2CC)c4nc(C)nc(-n5c(C)nc(C)n5)c4	1519
+FC(F)(F)CC(=O)Nc1ccc(cc1)Sc2nc(c(c(N3CC(C3)(F)C4CC4)n2)F)Nc5cc(n[nH]5)C	3624
+C1N(CC1OC)c2ncc(cn2)C(=O)O	1
+CCNCC1(CCCNC1)O	1574
+c1n(ccn1)-c2nnc(OC3CN(CCC3)Cc4cc5c(OCO5)cc4)cc2	171
+FC(F)(F)C(=O)N1CC(c2c3c(ccc2)[nH]cc3)CCC1	520
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(N(CC3CCCO3)Cc4nc(O)c5c(n4)CCOC5)=O	10
+C1CC1CN2CCC(CO)C2	61
+CC(C)(C)OC(=O)N1CC(CO)CCC1	23
+CC(C)(C)[Si](C)(C)OCC1CCCNC1	19
+c1(N2CC(CO)CCC2)c(cccc1)C=O	34
+c1cc(ccc1)COC(=O)N2CC(CO)CCC2	66
+c1cc(ccc1C2(CCC2)C(=O)N3CCCC(C3)CO)Cl	10
+C1COC(O1)(CCCN2CC(CCC2)CO)c3ccc(cc3)F	53
+c1cc(ccc1Oc2ccccc2)NC(=O)Nc3ccc4cn(CCCN5CCCC(CO)C5)nc4c3	61
+C1c2c(CC1CO)ccc(Oc3ncc(cc3)C(=O)N)c2	136
+CC(C)(C)OC(=O)N1CCc2c(n3nccc3nc2CC1)N4C(CO)CC4	1575
+C1CC(CCC1)C(C)NC(c2c3ccccc3nc(-c4cccs4)c2CN5CCN(CC5)C(N6C(CO)CCC6)=O)=O	776
+CC(C)(C)OC(N1C(CO)CCC1)=O	23
+OCC1N(CCC1)CCCOc2c(cc3c(Nc4c(cc(c5OCOc45)C#CCOC)Cl)ncnc3c2)OC	53
+Cc1c(c2n(c(cc(n2)N3C(CO)CCC3)-c4cc(Cl)ccc4)n1)I	790
+Clc1cc(cc(Cl)c1)C(C)(C)C(=O)N(c2c(cc(N3C(CO)CCC3)nc2)-c4ccccc4Cl)C	43
+c1c(F)cc(cc1-c2cc(N3CCCC3CO)nc4n2nc(C)c4I)F	790
+C(N1CCCC1CO)C#N	1576
+C(CC(NCCCN1CCCC1=O)=O)C(N2CCCC2CO)=O	731
+c1(cc(ccc1O)Nc2c3c(OCC4NCCC4)cccc3ncn2)Cl	1111
+c1cc(CNc2c(cnc(N3C(CO)CCC3)n2)C=O)cc(Cl)c1OC	3625
+OCC1N(c2cc(n3nc(C)c(I)c3n2)-c4ccc(c(c4)F)F)CCC1	790
+c1cc(ccc1S(=O)(=O)OCC2OC(C(C2)OC(C)=O)n3cnc4c(N)ncnc34)C	36
+FC(F)(F)S(=O)(=O)OCC1OCCCC1	1932
+C1C(CO1)(C(c2ccc(C)o2)NC3=C(Nc4cccc5NC(=O)Oc45)C(=O)C3=O)C	993
+C1C(CO1)(C(c2ccc(C)o2)NC3=C(C(=O)C3=O)Nc4cccc(C(O)=O)c4O)C	993
+C1C(CO1)(C(c2ccc(C)o2)NC3=C(Nc4c(c(ccc4)C(=O)CNCC(OC)=O)O)C(C3=O)=O)C	3626
+C1OCC1(C(c2ccc(C)o2)NC=3C(C(C=3Nc4c5c(NC(=O)N5)ccc4)=O)=O)C	993
+C1OCC1(C(c2oc(C)cc2)O)C	3627
+C1CCCCC1C2(COC2)C=O	24
+C1CC(CCO1)Oc2c3[nH]c(cc3cc(c2)Oc4ccc(S(=O)(=O)C)nc4)C5=NCC(CC(NCC6(COC6)C)=O)S5	9
+C1C(CO1)(COS(=O)(=O)C)Cn2cc(cn2)[N+]([O-])=O	7
+C1C(CO1)(COC)COc2c(ccc(OC)c2OCC3CC3)-c4cccc5C(=O)CCc45	8
+CN(C)CC1(COC1)Cn2ncc(c2)[N+]([O-])=O	123
+C1OCC1(C)COc2ccc(Cl)cc2C=C3c4c(cc(cc4)Cl)NC3=O	1495
+C1CC(CCC1N(C2COC2)C3CC3)CO	44
+C1OCC1N(C)Cc2n(C)nc(c2)NC3=CC(=CN(C)C3=O)Br	523
+C1C(CO1)N(Cc2n(nc(N)c2)C)C	161
+OB(O)C1=CN(C)C(C(Nc2nn3CCN(Cc3c2)C4COC4)=C1)=O	3628
+OCC1N(C(=O)C2N(C(=O)CN3CCCC3=O)CCC2)CCC1	88
+C1C(Cc2cc(OC)ccc2C1)N(C)CCCN	51
+c1c2c(CC(N(CCCNC(=O)Cc3cc(OC)c(OC)cc3[N+]([O-])=O)C)CC2)cc(c1)OC	9
+C1c2c(nc(C(=O)OCC)s2)CC1	6150
+N(c1cc2c(C=3C(CN(C)CC=3)F)c[nH]c2cc1)C(c4sccc4)=N	1139
+C1C(F)C(c2c3cc(N)ccc3[nH]c2)=CCN1C	0
+CC(C)(C)OC(N1CCCC2C1CN(C2)c3c(cc4C(=O)C(=CN(C5C(F)C5)c4c3Cl)C(O)=O)F)=O	34
+c1cc(ccc1)CC(=O)C=CC2CCC(N2CCCCCl)=O	1278
+CC(C)(C)OC(N1CCC(CC1)(N2CCC(CC2)NC3CCCCC3N)C)=O	87
+FC(F)(F)c1cc(OC)c(c(c1)SC)C(NC2C(CCCC2)N)=O	14
+FC(F)(F)c1cc(c(C(=O)NC2C(N)CCCC2)cc1)C3CC3	14
+CC(C)(C)OC(=O)NC1C(N)COC1	3629
+s1c2c(c(ncc2C#N)NC3C(NC(C)CC3)C)cc1Br	2500
+FC(F)(F)c1c(ccc(NC2CCCC(C2)N)c1)C#N	60
+n1c(Cl)ncc(F)c1NC2CC(N)CC(C)C2	40
+c1cc(ccc1Cl)-c2nc(c(C(NC3CCCN(c4cc(OCC(OC)=O)ccc4)C3)=O)s2)C	454
+C1CCC(C1)CCC(Nc2c(ccc3nc(ccc23)N4CCC(C4)N)Cl)=O	286
+O=S(=O)(c1ccc(cc1)NC2CCNC2)C	60
+c1cc(ccc1N2CCC(N)C2)C(OC)=O	34
+c12c(C(=O)N(C1=O)C3CCCNC3)cccc2	672
+n1c(N2CCCC(N)C2)c3CCCCc3nc1Cl	54
+C1CC1Cc2nc(ncc2-c3nc(NC4COCCC4)ncc3)N	306
+c1(NC2CCCOC2)c3c(ccs3)ncc1[N+](=O)[O-]	1972
+O=C(NC1CCCOC1)c2cc3nonc3cc2	93
+c1(F)c(F)c(c(c(F)c1C(=O)CC(=O)OCC)F)N2CCC(NC(=O)C)C2	34
+C(C)(=O)NC1CN(CC1)c2ccc([N+]([O-])=O)c(-n3ccnc3)c2	34
+c1cc(ccc1[N+]([O-])=O)N2CCC(NC(C)=O)C2	34
+C1CC1N2C=C(C(c3cc(F)c(N4CCCC(NC(C)=O)C4)c(F)c23)=O)C(O)=O	34
+N#Cc1c(C(=O)NC2CCNCC2C)[nH]c(C)c1Cl	1574
+FC(F)(F)c1c(Nc2cc(F)c(cc2)CNC(C3(NC(=O)c4cc(cnc4)N)CCOC3)=O)ccc(OC)c1	9
+FC(F)(F)c1c(Nc2ccc(cc2)CNC(=O)C3(CCOC3)NC(=O)c4cc(cnc4)N)ccc(OC)c1	9
+FC(F)(F)c1cc(OC)ccc1Nc2cc(c(nc2)CNC(=O)C3(COCC3)NC(=O)c4cc(cnc4)N)F	9
+C1CCCN1CCN2C(c3c(C)c(C=C4C(Nc5c4cc(F)c(N)c5)=O)[nH]c3CC2)=O	292
+C1COCCN1CC(O)CN2CCc3c(C2=O)c(c([nH]3)C=C4c5cc(c(cc5NC4=O)NC(=O)CO)F)C	292
+C1C(Nc2c1cc(c(NC(=O)CO)c2)F)=O	948
+COc1ccc2C(C(=O)Nc2c1)C	2528
+c1c2c(ccc1OC)C(C(=O)N2)=Cc3c(CCCO)c4c([nH]3)CCCCC4	292
+c1cc2CC(=O)N(c2cc1F)C(=O)C	1948
+c1ccccc1COC2CC(O)CCC2	149
+C1OC(CCC1)OC2CC(CC2)CI	219
+CC(C)(C)[Si](C)(C)OCC1CCC(O)C1	19
+C12CC3(CC(CC(C1)C3)C2OC(=O)N4CCC(O)C4)O	3630
+C1C2CC3CC1CC(C2)(C3)CC(Nc4c(C)ccc5nc(N6CC(O)CC6)ccc45)=O	286
+C1CC(CCC1)CC(Nc2c3c(ccc2C)nc(N4CC(O)CC4)cc3)=O	286
+C1CC(CCC1)CC(=O)Nc2c(ccc3c2ccc(n3)N4CC(O)CC4)Cl	286
+c1cc(ccc1Cl)C2(CC2)C(N3CCC(O)C3)=O	10
+CC(C)(C)OC(=O)Nc1ncc(cc1)CN2CC(CC2)O	619
+CC(C)(C)OC(N1CC(CC1)O)=O	23
+CC(C)(C)c1nc(N2CCC(C2)O)c3c(n(Cc4ccc(cc4)OC)nc3)n1	1577
+CC(C)Oc1ccc(S(=O)(=O)C)cc1C(N2CC(O)CC2)=O	30
+C[Si](C)(C)CCOCn1c2c(ccc(N3CC(CC3)O)c2)c(C(Nc4cn(nc4)Cc5cccc(c5)C#N)=O)n1	1578
+Clc1cc(-c2cc3[nH]c(NC(c4nc5cccc(N6CC(CC6)O)n5c4)=O)nc3cc2)cc(c1)F	6151
+c1c(ncc(c1)N2CC(CC2)O)C#N	3631
+FC(F)(C(F)(F)Cl)c1ccc(cc1)NC(c2cc(Br)c(N3CC(O)CC3)nc2)=O	43
+FC(F)(F)Oc1ccc(cc1)NC(c2cc(Br)c(N3CC(O)CC3)cc2)=O	34
+Clc1c2c(nccc2)c(c(c1)C(=O)N(OC)C)N3CC(CC3)O	1563
+FC(F)(F)c1c(c(N2CC(O)CC2)ccc1)C=O	34
+FC(F)(F)c1ccc(N2CC(O)CC2)nc1	43
+C1CN(CC1O)c2nc3ccc(Cl)c(N)c3cc2	286
+O=C(CNC(c1ccc(c(Cl)c1)Cl)=O)N2CCC(O)C2	10
+C1CC1C(=O)c2cnc3c(c2NC4CCC(CC4)CN5CC(O)CC5)cc(cc3)Br	123
+C1CN(CC1O)c2ccc([N+]([O-])=O)cc2F	34
+c1(C(=O)N2CC(CC2)O)cc3nccc(Cl)c3s1	867
+c1(CN2CCC(O)C2)cc(ccc1)OC	48
+c1cc(N2CC(CC2)O)ncc1Br	6152
+c1cc(N2CC(CC2)O)ncc1Br	323
+c1cc(ccc1)COC=2C=CN(C(=O)C=2)c3ccc(N4CC(O)CC4)nc3	361
+c1cc(ccc1S(=O)(=O)N2CC(O)CC2)C#N	92
+c1cc(ccc1I)C(N2CC(O)CC2)=O	115
+c1cc(ccc1Cc2[nH]c3ccccc3n2)C(=O)N4CCC(O)C4	30
+c1cc(ccc1OC(F)(F)C)NC(c2cc(Br)c(N3CC(O)CC3)nc2)=O	43
+C1CN(CC1O)c2ccc(cn2)C(=O)N	43
+c1cc(ccc1)CN2CC(O)CC2	48
+c1ccccc1NC(c2cc(ccn2)N3CC(O)CC3)=O	1465
+c12nnc(n1cc(cc2)F)N3CC(CC3)O	3632
+C1CC(CCN1c2ccc([N+](=O)[O-])c(OC)c2)N3CC(CCC3)O	85
+C1CCC(C1)n2cnc3c(nc(N4CC(CCC4)O)nc23)Nc5ccc6CCCc6c5	117
+C1CCC(C1)n2cnc3c(nc(nc23)N4CCCC(C4)O)NCc5cc(OC)c(cc5)OC	117
+FC(F)(F)c1ccc(c([N+](=O)[O-])c1)N2CC(O)CCC2	34
+c1c(cc2c(nc(N3CC(CCC3)O)s2)c1)Br	1912
+C1OC(n2c3cc(c(cc3nc2Br)F)F)C(OC(C)=O)C(O)C1OC(=O)C	59
+c1cc(ccc1)N2CCN(CC2)C(=O)C3C(C(OC)=O)CC(CN3)OC	10
+FC(F)(F)S(=O)(=O)c1ccc(cc1)-n2ccc(c2)C=O	6153
+C1CN(CCN1c2ncccc2COC)CC3Oc4ccccc4OC3	28
+CC(C)(C)c1c(C2CCN(CC2)C(C3SCCC3)=O)cccc1	10
+c1(cccnc1C2CCCC(c3c(cccn3)C)N2)C	1571
+CN(C)c1nccc(-c2c(nc3n2cccc3)CN(C4CCCc5c4nccc5)C)c1	879
+C(N(C)C1c2c(CCC1)cccn2)c3nc4cccc(F)n4c3	879
+c12n(c(cc1c3c(C(NC3=O)=O)c(-c4ccccc4Cl)c2)C=O)CCCOC	3633
+CN(C)C=C1C(c2c(C(C1)c3c(F)cccc3)cccc2)=O	6154
+C1CC(CCC1CCCCC)c2cccc(F)c2F	191
+C1(=O)c2ccccc2C(=O)N1C3CCC(c4cnccc4)C3	1579
+c1cc(ccc1C(=O)C2C(=O)c3c(C2)scc3)Br	6155
+O=S(=O)(c1c(F)cc(c(F)c1)OC2C(c3n(ncc3)CC)CCC2)N(c4ccncn4)Cc5ccc(cc5OC)OC	57
+O=S(=O)(Nc1scc(C=2CCCC3(CC(N(Cc4cc(OC)ccc4)C=23)=O)C)n1)c5ccc(c(F)c5)F	1140
+C1C2(C(N(C(=O)C2)Cc3cc(ccc3)OC)=C(CC1)c4csc(N)n4)C	6156
+C1C2(CC1(C2)NC(C)=O)OC(C)=O	68
+C1C2(CC1(C2)NC(C)=O)O	59
+C1C2(CC1)c3c(NCC2)cccc3F	15
+C1C2(CC1)CNC(c3n2c4cc(C(=O)Nc5ccc(F)c([N+]([O-])=O)c5)ccc4c3)=O	67
+C1C2(CC1)CNC(c3n2c4cc(C(Nc5cc(c(F)cc5)N)=O)ccc4c3)=O	0
+C1C2(CC1)CNC(c3cc4c(cc(C(=O)O)cc4)n23)=O	6
+C1C2(CC1)S(=O)(=O)CC(NC2=N)(c3cc(ccc3F)N)C	0
+O=S1(=O)C2(CCC2)C(NC(c3c(F)cccc3)(C1)C)=N	562
+C1C2(CC1)C(=N)NC(CS2(=O)=O)(c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F)C	187
+C1CN(CCC12CC3(C2)Cc4cc(C=5CCN(S(=O)(=O)C)CC=5)ncc4O3)c6nc(no6)CCC	880
+C1C2(CC1C2)NC(=O)c3nc(nc(N4CCC(CC4)c5n[nH]c6ncccc56)c3)OCC7CC7C#N	482
+C1C2(CC1C2)Nc3ncc(C(N)=O)c(SC)n3	2529
+C1C2(CC1C2)Nc3ncc(C(=O)N)c(S(=O)C)n3	3634
+C1C2(CC1C2)Nc3nc(SC)c(C#N)cn3	3635
+C1CN(CCC1C(=O)OCC)C2CC3(C2)CCN(C(OCC)=O)C3	66
+c1ccccc1C(N2CC3(CN(C3)C(NCc4ccc(cc4Cl)Cl)=O)C2)=O	115
+C1C2(CN1C(OCC)=O)Oc3ccc(cc3C(=O)C2)C=CC(O)=O	127
+C1C2(CN1C(OCC)=O)Oc3ccc(cc3C(=O)C2)C=CC(=O)NO	792
+C1C2(CN1C(OCC)=O)Oc3ccc(C=CC(NOC4OCCCC4)=O)cc3C(=O)C2	793
+C1C2(CN1c3cc(OC)c(Nc4nc(ccn4)-c5cnn6c5CCCC6)cc3N)CCCN2C	0
+C1CN(CCC12CN(C2)c3nc4ncccc4c(Nc5cc(n[nH]5)C)n3)C(=O)C	58
+N1(C(C2CC2(C=O)C1)=O)Cc3ccc(cc3OC)OC	24
+C1C2(CC1(n3cc(-c4nc(-c5cnn(C)c5)cc6nccn46)cn3)CC#N)COC2	2525
+CC(C)(C)c1nc(c2cc[nH]c2n1)N3CC4(C3)COC4	778
+C1N(CC12COC2)c3ccc(cc3)I	560
+O=S1(=O)CC2(CC(C2)Nc3c([N+](=O)[O-])cc(cc3)Cl)C1	60
+C1C(CNCC)(CCCN1C(=O)OC)O	122
+COc1cc2CCC3=C(CCC4(CC)C3CCC4=O)c2cc1	6157
+FC(F)(F)c1nc(C(=O)NCC2N(C(c3nc(C)sc3-c4cccc(C)c4)=O)CC5CC(CC25)C)ccc1	81
+C1C2C(CC(C)C2)C(N1C(=O)c3nc(C)sc3-c4cc(C)ccc4)CNC(c5ccnc(C)c5)=O	14
+C1C(C(O)CC1)c2ccnn2C	6158
+C1C2C(CC1COc3cc4c(cc3OC)c(ccn4)Oc5c(cc(cc5)N)F)CN(C2)C	0
+C1C2CC(CC2CN1C(CC#N)=O)Nc3c(cnc(Nc4ccc5c(C)n(C)nc5c4)n3)Cl	10
+C1CN(CCN1c2c(OC3CCCC3)ccc(c2)F)CCCN4C(=O)C5C(CCC(C5)O)C4=O	3636
+C(C)(NCC1(CCC2CCC1C2)NC(C)=O)=O	6159
+C12C(CN(C1)c3nc(N)ccc3)C2	361
+c1cc(ccc1-c2n(cc(C(=O)N3CC4C(C3)C4)c2C)C)Cl	211
+C1C2C(CN1CCCc3c(C)c4c(ccc(c4)F)[nH]3)C2(c5cccc(NS(=O)(=O)C)c5)C	15
+C1C2CNCC2CN1C(=O)c3c(cc(OC)cc3)-n4nccn4	25
+CN(C)C(N1CC2C(CC(C2)C#N)C1)=O	881
+c1cc(ccc1)COC(=O)N2CC3C(CC(C3)(c4ccccc4)O)C2	251
+C12C(CN(C1)CC=C)C2(c3cccc(NS(=O)(=O)C)c3)C	80
+C1C2C(CN1c3cccc(Nc4cc(nn5ccnc45)-c6cc(ccc6)C(=O)O)n3)C2	1
+c1cc(I)c2c(CC3C(C2)OCCN3C)c1OC	184
+C1C2C(Cc3cccc(OC)c13)OCCN2	15
+c1ccccc1COC(N2CCOC3Cc4cccc(c4CC23)OC)=O	66
+C1CC(C2(C)CCC3C(C12)CCc4cc(O)ccc34)=C	6160
+C12CC(CC(CCC1)N2C(=O)c3cc4CN(CCn4n3)C(NCc5cc(Cl)cc(c5)Cl)=O)C(O)=O	3
+C1C2CC(CC(CC1)N2C(=O)c3cc4CN(CCn4n3)C(NCc5cc(Cl)cc(c5)Cl)=O)C(OCC)=O	1893
+C12C(CC(C1)OC(NC(C)C)=O)CC(C2)NCC(=O)N3C(C#N)CCC3	6161
+C1C2C(CN1C(N(C)C)=O)CC(C2)C#[N+]CS(=O)(=O)c3ccc(cc3)C	1141
+c1c2ncn(c2ccc1)C=3C4(C)CCC5C6(C)C(CCC5C4CC=3C=O)CC(CC6)OC(=O)C	6162
+C1C2(CC1C2)NC(=O)c3cc(nc(Cl)n3)N4CCC(CC4)c5n[nH]c6ncccc56	81
+C1C2(CC1C2)Nc3ncc(c(n3)SC)Br	96
+C1C2CC1(C2)NC(=O)c3c(F)ccc(-c4cc5c(c(-c6ccc(cc6)F)oc5cc4CC(=O)OC)C(=O)NC)c3	14
+C1C2CC1(C2)NC(c3c(ccc(-c4cc5c(C(NC)=O)c(-c6ccc(cc6)F)oc5nc4Cl)c3)F)=O	14
+C1C2CC1(C2)NC(=O)c3c(F)ccc(c3)-c4cc5c(cc4CC(O)=O)oc(-c6ccc(cc6)F)c5C(=O)NC	4
+C1C2CC1(C2)NC(=O)c3c(ccc(c3)-c4c(CC(=O)N)cc5c(c(C(=O)NC)c(-c6ccc(cc6)F)o5)c4)F	83
+CC(C)(C)OC(N1CC2CC1CN2c3cc(nc(n3)N4CC5CC4C5)-c6cnc(N)c(c6)C(F)(F)F)=O	117
+C1C2CC1N(C2)C(=O)c3ccc(c(F)c3)Oc4cc(cc(c4)OC(C)CO)C(=O)Nc5nn(C)cc5	30
+Clc1cnc(cc1)C(Nc2ccc(c(c2)C34NC(COCC3C4)=S)F)=O	187
+Cc1nc(C(N2CC3C(C2CNC(=O)c4c5C=CCOc5ccc4)C3)=O)c(s1)-c6cccc(c6)C	14
+c1ccc2OCCCc2c1C(NCC3C4C(CN3C(c5nc(C)sc5-c6cccc(c6)C)=O)C4)=O	14
+C1C2CC3(CC(CC1(C(O)C)C3)C2)O	100
+CC(C)(C)OC(=O)NC12CC3CC(CC(C1)C3)(O)C2	37
+C12CC3(CC(CC(C1)(NC(=O)c4cccc(Cl)c4)C3)C2)CO	95
+C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O	6163
+C1C2CC3CC(CC1(C(OC)=O)C3)C2N	316
+C1C2CC3(CC(CC1C3)C2O)O	100
+C1C2CC3CC(CC1(C3)CO)C2N	95
+CC(C)(C)OC(=O)NC12CC3CC(CC(C1)C3=O)C2	37
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)C2O)=O	37
+C1C2CC3CC(CC1C3(CO)C#N)C2	95
+C1C2CC3CC(CC1C3)C2(CO)CCOC	95
+C1C2CC3CC(CC1C3)C2(C#N)COc4cc(F)c(cc4Cl)C(OC(C)(C)C)=O	57
+C1C2CC3CC(CC1C3)C2(COc4cc(c(C(OC(C)(C)C)=O)cc4C5CC5)F)C#N	2530
+C1C2CC3CC(CC1C3)C2(COc4c(cc(C(NS(=O)(=O)C)=O)c(F)c4)C5CC5)C#N	258
+C1C2CC3CC(CC1C3)C2(COc4cc(F)c(cc4C5CC5)C(=O)O)C#N	153
+C1C2CC3CC(CC1C3)C2(O)CN	51
+C1C2CC3CC(CC1C3)C2(O)C#N	3637
+C1C2CC3CC(CC1C3)C2C#[N+]CS(=O)(=O)c4ccc(cc4)C	1141
+C1C2CC3CC(CC1C3)C2C#N	881
+C1C2CC3CC(CC1C3)C2NC(=O)c4c(n(-c5ccc(cc5)C(OC)=O)nc4)SC6CCCC6	597
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)CC(C(C(OCC)=O)C)c6c5c(ccc6)Br	1132
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)CC(=CC(=O)OCC)c6cccc(Br)c56	1132
+C1C2CC3CC(CC1C3)C2NC(c4cnn(c4Cl)C(C)(C)C)=O	597
+C1C2CC3CC(CC1C3N=C=O)C2	6164
+C1C2CC3CC(CC1C3)C2NC(N4c5c(OCC4)cccc5)=O	3638
+C1C2CC3CC(CC1C3)C2NC(c4c(n(C)nc4)Cl)=O	597
+C1C2CC3CC(CC1C3)C2NC(c4cccc(Br)n4)=O	81
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)CC(c6cccc(Br)c56)CC(OCC)=O	6165
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)c6c(cccc6C(C(C)C(O)=O)C5)Br	3
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)CC(c6cccc(Br)c56)CCO	44
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)c6c(C(CCOS(=O)(=O)c7ccc(cc7)C)C5)cccc6Br	36
+C1C2CC3CC(CC1C3)C2NC(=O)c4c(n(-c5ccc(cc5)C(=O)O)nc4)SC6CCCC6	1
+C1C2CC3CC(CC1C3)C2NC(c4cccc(N5CCN(CC5)C(OC(C)(C)C)=O)n4)=O	323
+C1C2CC3CC(CC1C3)C2NC(=O)c4nc(ccc4)N5CCNCC5	2
+C1C2CC3CC(CC1C3)C2NC(=O)c4c(n(nc4)C(C)(C)C)N5CCCC5	959
+C1C2CC3CC(CC1C3)C2NC(c4nc(N5CCN(CC5)CCC(=O)N)ccc4)=O	327
+C1C2CC3CC(CC1C3)C2OC(=O)N4CCC(CC4)(COCC(=O)O)c5ccccc5	4
+C1C2CC3CC(CC1C3)C2OC(N4CCC(CC4)(CO)c5ccccc5)=O	88
+C1C2CC3CC(CC1C3)C2OC(N4CCC(CC4)(COC)c5ccccc5)=O	21
+C1C2CC3CC(CC1C3C(=O)OC)C2	27
+C1C2CC3CC(CC1C3N(CC(COc4ccccc4C(NCc5ccc(cc5)C6(N=N6)C(F)(F)F)=O)O)C)C2	14
+C1C2CC3CC(CC1C3N(C)CC(COc4ccccc4C(O)=O)O)C2	1
+C1C2CC3CC(CC1C3NC(N4CCC5(CC4)OCc6ccccc56)=O)C2	384
+C1C2CC3CC(CC1C3N(CC(O)COc4c(cccc4)C(=O)OC)C)C2	170
+C1C2CC3CC(CC1C3)C2OC(N4CCC(CC4)(c5ccccc5)C(=O)OC)=O	66
+C1C2CC3CC(CC1C3OC(NC(C(=O)OC)(Cc4ccc(cc4)O)C)=O)C2	544
+C1C2CC3CC(CC1C3OC(NC(C(=O)OC)(Cc4ccc(cc4)OC)C)=O)C2	65
+C1C2CC3CC(CC1C3OC(NC(C)(C(=O)O)Cc4ccc(cc4)OC)=O)C2	4
+C1C2CC3CC1CC(C2)(C3)C(O)CNc4ncnc5c4CCN(Cc6ccccc6)C5	40
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4c5ccc(nc5ccc4C)Cl	26
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4c5c(ccc4)C(OC=C5)=O	26
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4cccc5nc(ccc45)Cl	26
+C1C2CC3CC1CC(C2)(C3)CCOCCOCCO	481
+C1C2CC3CC1(CC(C2)C3)CCN(C(=O)NCCCc4cc[n+](cc4)[O-])CCCCC	103
+C1C2CC3CC1(CC(C2)C3)CCN(C(=O)NCCCc4ccncc4)CCCCC	1132
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4cccc(N)n4	81
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(N)nn(-c5ncccn5)c4	597
+C1C2CC3CC1CC(C2)(C3)COS(=O)(=O)C	7
+C1C2CC3CC1(CC(C2)C3)COc4ccc(C#N)cc4Br	57
+C1C2CC3CC1CC(C2)(C3)COc4ccc(C#N)cc4C5(CCC5)O	251
+C1C2CC3CC1CC(C2)(C3)COc4ccc(C#N)cc4-c5cccnc5OC	305
+C1C2CC3CC1CC(C2)(C3)n4nnc(CSc5c(ccc(Cl)c5)Cl)c4	642
+C1C2CC3CC1CC(C2)(C3)NC(N4CC5(C4)CCN5S(=O)(=O)c6ccc(cc6)Cl)=O	92
+C1C2CC3CC1(CC(C2)C3)NCc4ccc(cc4)C=CC(=O)Nc5ccccc5N	1313
+C1C2CC3CC1(CC(C2)C3)NCc4ccc(cc4)C=CC(=O)O	127
+C1C2CC3CC1CC(C2)(C3)c4c(O)cc(c(c4)Br)C	957
+C1C2CC3CC1CC(C2)(C3)OCc4cc(F)c(cc4Cl)Br	1476
+C12CC3CC(C1)CC(C2)(C3)c4cc(Br)cc(C(c5ccccc5)=O)c4O	957
+C1C2CC3CC1CC(C2)(C3)c4cc(ccc4O)Br	957
+C1C2CC3CC1(CC(C2)C3)c4cc(cc(C(=O)c5ccccc5)c4O)-c6cccc(C=O)c6	241
+C12CC3CC(C1)CC(C2)(C3)c4cc(-c5cc(C=O)ccc5)cc(F)c4O	186
+C1C2CC3CC1(CC(C2)C3)c4c(ccc(c4)C#Cc5ccc(cc5)C(=O)N)OCOCCOC	1580
+C1C2CC3CC1(CC(C2)C3)c4c(ccc(c4)C#Cc5ccc(cc5)C(=O)Cl)OCOCCOC	82
+C12CC3CC(C1)CC(C2)(C3)c4ccc(c(C)c4)OCC(=O)OCC	1845
+C1C2CC3(CC(CC1(C(=O)C)C3)C2)O	6166
+C1C2CC3CC1CC(C2)(C3)C(O)CNc4ncnc5CN(CCc45)C(C6N(C(=O)OC(C)(C)C)CCC6)=O	10
+C1C2CC3CC1CC(C2)(C3)C(O)CNc4ncnc5CN(CCc45)C(C(Cc6ccccc6)NC(OC(C)(C)C)=O)=O	10
+C12CC3(CC(C1)CC(C3)C2)C(Nc4ccc(cc4[N+]([O-])=O)S(=O)(=O)NC(c5ccc(cc5)-c6ccc(cc6)F)=O)=O	26
+C1C2CC3CC1CC(C2)(C3)C(Nc4cc5c(nc(s5)NC(C)=O)cc4)=O	1973
+C1C2CC3CC1CC(C2)(C3)C(O)CNc4ncnc5CN(C(=O)C(Cc6ccccc6)N)CCc45	84
+C1C2CC3CC1CC(C2)(C3)C(CNc4c5c(ncn4)CNCC5)O	25
+C1C2CC3CC1CC(C2)(C3)CC(Nc4c5CCN(C(=O)c5ccc4)CCO)=O	6167
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4cccc5c4C=CN(C(CO)C(C)C)C5=O	1892
+C12CC3(CC(C1)CC(C3)C2)CC(Nc4c5c(nc(cc5)CCCN(C(OC(C)(C)C)=O)CCCO)ccc4)=O	587
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4c5ccc(nc5ccc4)C#CCN(C(=O)OC(C)(C)C)CCCO	6168
+C1C2CC3CC1CC(C2)(C3)CC(Nc4c(C)ccc5nc(N6CC(CC6)OS(=O)(=O)C)ccc45)=O	7
+C1C2CC3CC1CC(C2)(C3)CCOCCOCCOS(=O)(=O)C	7
+C1C2CC3CC1CC(C2)(C3)CCOCCOCCN=[N+]=[N-]	133
+C1C2CC3CC1CC(C2)(C3)COc4cc(F)c(C#N)cc4Br	262
+C1C2CC3CC1CC(C2)(C3)COc4cc(F)c(C(NS(=O)(=O)N5CCC(OCc6ccc(cc6)OC)C5)=O)cc4Cl	258
+C1C2CC3CC1CC(C2)(C3)COc4cc(F)c(cc4Cl)C(=O)NS(=O)(=O)N5CCC(O)C5	1974
+C1C2CC3CC1CC(C2)(C3)COc4ccc(cc4-c5cccnc5OC)C(=O)N	216
+C1C2CC3CC1CC(C2)(C3)COc4c(cc(cc4)C#N)C5CCC5	564
+C1C2CC3CC1CC(C2)(C3)OCCOCCOCCOCCOCCCCN=[N+]=[N-]	967
+C1C2CC3CC1CC(C2)(C3)OCCOCCOCCOCCOCCCCN	18
+C12CC3CC(C1)CC(C2)(C3)OCCOCCOCCOCCOCCOS(=O)(=O)C	7
+C1C2CC3CC1CC(C2)(C3)c4c(OCc5ccccc5)cc(C)c(Br)c4	22
+C1C2CC3CC1CC(C2)(C3)c4cc(ccc4OC(C)C)CCN(C)C(C(F)(F)F)=O	782
+C1C2CC3CC1CC(C2)(C3)c4c(OCc5ccccc5)cc(c(B(O)O)c4)C	281
+C1C2CC3CC1CC(C2)(C3)c4c(ccc(c4)CC[N+](=O)[O-])OC(C)C	364
+C1C2CC3CC1CC(C2)(C3)c4c(ccc(C=C[N+]([O-])=O)c4)OC(C)C	417
+C1C2CC3CC1CC(C2)(C3)c4cc(CCN)ccc4OC(C)C	157
+C1C2CC3CC1CC(C2)(C3)c4c(OC(C)C)ccc(CCNC(C(F)(F)F)=O)c4	659
+C1C2CC3CC1CC(C2)(C3)c4cc(ccc4O[Si](C)(C)C(C)(C)C)Br	154
+C1C2CC3CC1CC(C2)(C3)c4c(ccc(CCNC)c4)OC(C)C	318
+C1C2CC3CC1CC(C2)(C3)c4ccc(cc4)NC(=O)OC(C)(C)C	673
+C1C2CC3CC1CC(C2)(C3)c4ccc(cc4)NC(C(OCC)=O)=O	994
+C1C2CC3CC1CC(C2)(C3)c4ccc(cc4)N	78
+C1C2CC3CC1CC(C2)(C3)c4ccc(cc4)NC(=O)C(O)=O	1581
+C1C2CC3CC1CC(C2)(C3)n4nnc(CS(=O)(=O)c5c(Cl)ccc(Cl)c5)c4	6169
+C1C2CC3CC1CC(C2)(C3)n4nnc(CS(=O)c5c(Cl)ccc(c5)Cl)c4	357
+C1C2CCC(CC1N)N2Cc3ccccc3	733
+C1C2CCC(CC1C#[N+]CS(=O)(=O)c3ccc(cc3)C)S2	1141
+C12CCC(CC(C1)C#N)S2	881
+C1CC2CC(CC1N2Cc3ccccc3)NC(=O)C(C)C	68
+Clc1cc(cc(Cl)c1)COC(N2C3CCC2CC(C3)NC(CCCc4cnn[nH]4)=O)=O	66
+C1CC2CC(CC1N2c3nc(nc4c3c(-c5ccccc5)cs4)N6CC(CC6)C(=O)N)=O	86
+C1C2CCC(CC1c3n4c(c(c(-c5ccncc5)n4)I)ncc3)N2CC	183
+CC(C)(C)OC(=O)Nc1ccc(cc1OC)-c2c(-c3ccncc3)nn4c2nccc4C5CC6CCC(C5)N6CC	6170
+C1CC2CC(CC1N2C(OCC)=O)n3cc(cn3)-c4cnc(N)c(c4)-c5sc6ccccc6n5	1142
+C1C2CCC(CC1n3ncc(-c4cnc(N)c(c4)-c5sc6ccccc6n5)c3)N2C	3639
+c1cc(ccc1-c2nc3n(C4CCCCO4)ncc3c(N5CC6CCC(C5)O6)n2)NC(=O)C	345
+C1C2CCC(CN1c3nc(N4CCC(CC4)=O)nc(-c5ccc(cc5)N)n3)O2	1582
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3nc(Cl)nc(N4CC5CCC(C4)O5)c3cn2	3614
+C1C2CCC(CN1c3c4c(n(nc4)C5CCCCO5)nc(Cl)n3)O2	1846
+C1C2CCC(CN1c3nc(nc(NC(C)C)c3)-c4ccc(cc4)N)O2	0
+C1C2CCC(CN1c3nc(nc(NC(C)C)c3)-c4ccc(cc4)[N+](=O)[O-])O2	40
+C12CN(CC(CC1)O2)c3cc(Cl)nc(I)n3	2531
+C1C2CCC(CN1c3ccnc(n3)Nc4cnn(C)c4)N2C(NCC#N)=O	3640
+CC(C)(C)c1ccc(cc1)NC(N2C3CN(CC2CC3)c4ncccc4Cl)=O	326
+O=S(=O)(c1ccc(cc1)Cl)N2C3CCCC2CC(C3)=O	92
+C1C2CCCC(CC1C(OC)=O)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O	91
+C12CC(CC(CCC1)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O)C(=O)O	4
+FC(F)(F)CN1CCCN(CC1)c2ccc3N4CC(N(c3n2)C(=O)Nc5ccncn5)CCC4	2532
+C1C2CN(CC(CN1C(=O)NCC)C2)CCNC(Cn3c(-c4ccc(cc4)C#N)c(cn3)-c5ccc(cc5)C#N)=O	28
+C1C2CN(CC(CN1C(=O)Nc3ccccc3)C2)Cc4ccccc4	326
+C1C2CNCC(CN1C(Nc3ccccc3)=O)C2	25
+C1CCCCC1CC2(CC3C(C2)CN(C3)C(N(C)C)=O)C=O	6171
+C12CN(CC(CN(C1)C(=O)Nc3ccccc3)C2)CC(O)COc4cccc5c4cc(C#N)[nH]5	170
+c1cc(ccc1CN2CC3CN(CC(C2)O3)CCN(S(=O)(=O)C)CCOc4ccc(cc4)C#N)F	131
+C1C2C(CC1COc3cc4c(c(ccn4)Oc5c(cc(cc5)[N+]([O-])=O)F)cc3OC)CN(C2)C	113
+C1C2CN(CC2CN1c3cc(N(C)C)ncn3)C(=O)c4c(cc(OC)cc4)-n5nccn5	54
+C12C(CN(C1)c3nc(C)c(cn3)F)CN(C2)C(=O)c4c(cc(OC)cc4)-n5nccn5	117
+C1C2CN(CC2CN1C(c3c(-c4nnc[nH]4)cccc3)=O)c5nc(C)c(c(C)n5)C	117
+C1C2C(CN1C(=O)c3c(cc(OC)cc3)-n4nccn4)CN(C2)Cc5ccccc5	30
+CC(C)(C)OC(N1CCC2C(c3c(scc3)C2)C1)=O	23
+CC(C)(C)OC(N1CCC2Cc3c(C2C1)scc3)=O	23
+C(CN1CCC2N3c4c(C2C1)cc(-c5c(c(Cl)ccc5)Cl)cc4CCC3)C	28
+FC(F)(F)C(N1CC2c3c(C(C1)C2)cccc3)=O	520
+N(C=O)c1scc(C(=NOCc2ccon2)C(=O)NC3C(N4C3SCC=C4C(=O)O)=O)n1	471
+N(C=O)c1scc(C(=NOCCOCC)C(=O)NC2C(N3C2SCC=C3C(=O)O)=O)n1	471
+Nc1c(NC(=O)N(C)CCC)cc(cc1)C=2CCCC=2	0
+c12c(CCCCN1C(=O)C)cc(OCC3=CCN(C)CC3)c(Br)c2	3641
+C1N(CC=C(COc2ccccc2I)C1)C	3641
+c1ccccc1COC(=O)Nc2cc(F)c(C=3CCSCC=3)cc2	90
+O=S(=O)(C)OCC1CN(c2ccc(c(c2)F)C3=CCSCC3)C(=O)O1	7
+C1CC(=CCN)c2c1cnc3OCCc23	3642
+C=1(CCN(c2c(cc(-c3cc(c(cc3)OCC)F)cc2)C=1)C=O)C(=O)OC	6172
+O=S(=O)(ON=C1CCc2ccccc12)c3ccc(cc3)C	3643
+C1C(C(=C(C1)OCC)Br)=O	6173
+FC(F)c1cccc(NC2=CC(CC2)=O)c1	6174
+c1cc(ccc1CBr)OCC2(CCCCC2)C	29
+C1CC(CCC1)C(NC(c2c(CBr)c(nc3ccc(F)cc23)-c4ccccc4)=O)C	223
+C1CC(CCC1)C(NC(c2c(c(nc3cc(Cl)ccc23)-c4ccccc4)CBr)=O)C	223
+C1CC(CCC1)CCCCCCBr	552
+C1CC(CCC1)CN2C(C(=CC(C(OC)=O)=C2CBr)Br)=O	1093
+C1CC(CCC1)CN2C(C(=CC(C(=O)OC)=C2C)Br)=O	3644
+C1CC(CCC1)NS(=O)(=O)c2ccc(CBr)c3c2cccc3	29
+C1CC2(OCCO2)CCC1(C#N)c3ncc(Br)s3	617
+C1CC(CCC1C(=O)OCCCC)C(O)(c2ncc(Br)s2)C	617
+C1CC(CCC1N2C(=O)C(Br)=Cc3c(C)nc(nc23)N)OC	3645
+C1CC(CCC1O)N2C(=O)C(Br)=Cc3c(C)nc(nc23)N	3645
+C1CC(CCN1)(C2Cc3cc(Br)cc(F)c3O2)O	38
+C1CC(CCO1)CNC(c2cnc(-n3ncc(c3OC)Br)cc2)=O	3515
+C1CC(CCO1)CNc2ccc(c(n2)-c3c(cnc(F)c3)Cl)Br	203
+C1CC(CCO1)CNc2nc(-c3cc(F)ncc3Cl)c(nc2)Br	439
+C1CC1C(O)(c2cccc(Br)c2O)C	38
+C1CC1C(N2C(C)CCc3c2ccc(c3O)Br)=O	38
+C1CC1CCNc2nc3c(nc(Br)n3C4OCCCC4)c(n2)N	995
+C1CCCC1(c2cc(c(N)c(c2)OCC3CC3)Br)C(=O)OCC	38
+C1CC1NS(=O)(=O)c2c(n(c(Br)c2)CC3CCCCC3)C	653
+c1cc(ccc1-c2cnc(c(Br)c2)N)S(=O)(=O)NC3CC3	203
+C1CC2CCC(=O)N2CC1c3n4ccnc(Cl)c4c(Br)n3	794
+C1CC2CCOC(=O)N2CC1c3n4ccnc(Cl)c4c(Br)n3	794
+C1CC2COCC(=O)N2CC1c3n4ccnc(Cl)c4c(Br)n3	794
+C1CCC(C1)CCCCCCCCBr	552
+C1CCC1N2c3c(C(=C(C2=O)Br)N)cnc(n3)SC	3489
+C1CCC1Oc2nc(c3nc(n(C4OCCCC4)c3n2)Br)N	995
+C1CCCC(n2c(Br)nc3c(nc(OC(CC)C)nc23)N)O1	995
+C1CCCC(n2c(Br)nc3c(nc(OC(CCC)C)nc23)N)O1	995
+C1CCCC(n2c(Br)nc3c(nc(OCC(C)CC)nc23)N)O1	995
+C1CCCC(n2c(Br)nc3c(nc(OCCCC)nc23)N)O1	995
+C1CCCC1N2C(C(=C(CBr)N2C)Cl)=O	3646
+C1CCCCN1N2CCc3c(c(C)c(Br)n3-c4ccc(cc4Cl)Cl)C2=O	653
+C1CN(C(CC1c2n3ccnc(Cl)c3c(Br)n2)=O)C	794
+C1CN(CCC1)CCCN2C=CC(=CC2=O)c3cnn4c(ncc4Br)c3	1975
+C1CN(CCO1)C(c2c(c3c(cc(c(c3)OC)OC)s2)CBr)=O	795
+C1CN(CCO1)c2nc(Cl)nc3c2nc(CBr)cc3	6175
+C1CNCCC1C2Oc3c(cc(Br)cc3F)C2	38
+C1COCCC1(c2ccc(c(c2)Br)N)C(OC)=O	38
+C1COCCC1(F)c2scc(CBr)n2	6176
+C1COCCN1Cc2c(c(N)n3c(c(-c4cnc5ccccc5c4)cn3)n2)Br	1583
+C1COCCN1c2ncc(n3cc(nc23)CO)Br	2533
+C1COCCN1c2c3n(c(cn2)Br)cc(C(OCC)=O)n3	2533
+C1CC(CCS1(=O)=O)(C#N)c2ccc(c(Br)c2)N	38
+C1CC(c2ccc(OC)c(c12)Br)=O	38
+C1Cc2c(NC1=O)c(F)cc(Br)c2	38
+C1N(CC1(F)F)c2c(Br)nc(C(OC)=O)cn2	439
+C1N(CCCNC1=O)c2sc(c(Cl)n2)Br	617
+C1NC(=O)CC1c2cc(N)c(cc2Br)Cl	38
+c1c(Br)cc2CC(CC)Oc2c1	38
+BrC=1C(N2C(=NC=1C(C)Br)SC=C2C)=O	2521
+C1=C(Br)Cc2c(Cl)cccc12	6177
+CC(C)(C#N)c1cc(Br)c(OC)cc1Cl	38
+CC(C)(C#N)c1cc(cc(C(C)(C)C#N)c1)CBr	29
+CC(C)(C)C(=Cc1c(Cl)cc(cc1)Cl)CBr	2534
+CC(C)(C)C(=O)Nc1c(-c2ncccc2)cc(Br)c(F)c1	38
+CC(C)(C)COS(=O)(=O)c1c(ccc(c1)[N+](=O)[O-])CBr	29
+CC(C)(C)Cn1c(nc2cnc(nc12)C#N)CBr	6178
+CC(C)(C)N1C(=O)C(CBr)=C(C=N1)Cl	6179
+CC(C)(C)NS(=O)(=O)c1c(OC)ccc(CBr)c1	29
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)CBr	29
+CC(C)(C)NS(=O)(=O)c1cn(c(Br)c1)CC2CCCCC2	653
+CC(C)(C)OC(=O)CON=C(c1nc(sc1Br)N)C(=O)O	617
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C(CCCBr)(C(=O)OC1CCCC1)C	552
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1noc2cc(c(cc12)Cl)CBr	29
+CC(C)(C)OC(N(c1c2nc(C(F)(F)F)c(n2c(Br)cc1)Cl)C)=O	2535
+CC(C)(C)OC(=O)N(C)C1CN(C1)c2ncc(Br)n3c2nnn3	6180
+CC(C)(C)OC(=O)N(CC)CCCBr	552
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)CCBr	552
+CC(C)(C)OC(=O)N1CC(C)(C)c2cc(c(Cc3ccc(cc3)F)cc12)Br	38
+CC(C)(C)OC(=O)N1CCC(CC1)CCCN2C(c3cccc(c3N=C2CBr)OC)=O	6181
+CC(C)(C)OC(N1CCC(C1)n2c(c(c3c(N)ncnc23)-c4ccc(cc4)Oc5ccccc5)Br)=O	653
+CC(C)(C)OC(N1CCN(CC1)c2c(nc(Br)cn2)Cl)=O	439
+CC(C)(C)OC(=O)N1CCc2cc(c(F)c(c12)C(O)=O)Br	38
+CC(C)(C)OC(=O)N1CCc2cc(Br)sc2CC1	407
+CC(C)(C)OC(N1Cc2n(CC1)c(Br)nc2C(OC)=O)=O	866
+CC(C)(C)OC(=O)N1CCn2c(nnc2Br)C1	3647
+CC(C)(C)OC(NC1C(CCC1)Nc2ncc(C(F)(F)F)nc2Br)=O	439
+CC(C)(C)OC(NCC1Cc2cc(cc(Cl)c2O1)Br)=O	38
+CC(C)(C)OC(=O)NCc1cc(Br)c(N)nc1C	203
+CC(C)(C)OC(Nc1c(c(c(CBr)c(OC)c1)OC)Br)=O	29
+CC(C)(C)OC(=O)Nc1ccc(cc1)CBr	543
+CC(C)(C)OC(=O)Nc1ccc2cc(C#N)ccc2c1Br	38
+CC(C)(C)OC(=O)Nc1sc2c(c(cc(c2)CBr)-c3cc(ccc3)[N+](=O)[O-])n1	543
+CC(C)(C)OC(=O)Nc1ncc(cc1)CBr	223
+CC(C)(C)OC(=O)c1cc(c(cc1)CBr)OC	29
+CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(=C(Cl)C=C(C2=O)Cl)CBr	3646
+CC(C)(C)OC(c1c(-c2ccc(cc2)CBr)cccc1)=O	29
+CC(C)(C)OC(=O)n1c(C(=O)OCC)cc2cc(cc(CBr)c12)Cl	223
+CC(C)(C)OC(=O)n1c(cc2c1c([N+](=O)[O-])cc(c2)CBr)C(OC)=O	29
+CC(C)(C)OC(n1ccc2cccc(CBr)c12)=O	223
+CC(C)(C)OC(C(=O)OC)c1nc(sc1Br)C	617
+CC(C)(C)OC(C1C(N(c2c(CC1)cc(Br)c(OC)c2)CC)=O)=O	38
+CC(C)(C)OC(C=1N2C(C(C2S(CC=1CBr)=O)NC=O)=O)=O	6182
+CC(C)(C)OC(COc1cc(Br)cc(c1N)[N+]([O-])=O)=O	38
+CC(C)(C)OC(=O)N(c1ccc(cc1)C#N)c2ccc(c(CBr)c2)Br	29
+CC(C)(C)OC(N1C(C(c2ccccc2)O)CCC1Cc3ccc(N)c(Br)c3)=O	38
+CC(C)(C)OC(N1CCC2(CC1)c3n(-c4c(O2)cc(cc4)CBr)c(cc3)C#N)=O	29
+CC(C)(C)OC(=O)N1CCCC(C1)Cn2c3nc(ncc3c(c2-c4c(cccc4Cl)Cl)Br)Cl	3648
+CC(C)(C)OC(N1CCN(CC1)c2cnc(Br)cc2)=O	408
+CC(C)(C)OC(N1CCN(CC1)c2nc(N)c(cc2)Br)=O	203
+CC(C)(C)OC(=O)N1CCOC(Cc2ccc(c(Br)c2)O)C1	38
+CC(C)(C)OC(N1CCc2n(C3CCOCC3)nc(N4CCCc5c4cc(c(Br)c5)C#N)c2C1)=O	38
+CC(C)(C)OC(N1CCc2c(CC1)oc(Br)c2)=O	1314
+CC(C)(C)OC(=O)NC(CC=C(F)F)COc1cc2N(C(=O)c3c(-c2cc1Br)ccnc3C)C	38
+CC(C)(C)OC(NC(Cc1ccc(cc1)C(=O)CBr)CCO)=O	3649
+CC(C)(C)OC(=O)NC(c1c(cc(N)c(Br)n1)Br)Cc2cc(F)cc(F)c2	408
+CC(C)(C)OC(NCCOc1c(OC)cc(-c2ccc3n(c(Br)c(C)n3)n2)cc1)=O	1975
+CC(C)(C)OC(=O)Nc1c(C(OC)=O)cc(s1)Br	407
+CC(C)(C)OC(=O)Nc1c(F)c(ccc1OCc2ccccc2)Br	38
+CC(C)(C)OC(=O)Nc1cc(OC)c(c(c1Br)OC)C	38
+CC(C)(C)OC(Nc1c(c2c(ccc(c2)C#N)c(OCc3ccccc3)c1)Br)=O	38
+CC(C)(C)OC(=O)Nc1c(Br)c2c(ccc(c2)S(=O)(=O)C)cc1	38
+CC(C)(C)OC(Nc1ccc2c(c1Br)cc(cc2)C(=O)C)=O	38
+CC(C)(C)OC(C(OC)=O)c1c(n2nc(c(Br)c2nc1C)-c3ccccc3)Cl	1976
+CC(C)(C)OC(c1ccc(cc1NC(=O)c2c(ccc(CBr)c2)OCOC)-c3ccccc3)=O	29
+CC(C)(C)OC(c1c(c2c(c(Br)ccc2o1)O)C)=O	38
+CC(C)(C)OC(n1c2c(cc1)c(Cl)c(CBr)cc2)=O	29
+CC(C)(C)OC(=O)n1ccc(n1)CBr	299
+CC(C)(C)[Si](C)(C)OC1CN(CC1Nc2c(nc(-c3ccc(nc3OC)C(C)C)c(C)c2)Br)C(OCc4ccccc4)=O	408
+CC(C)(C)[Si](C)(C)OCC(N1c2c(cc(c(n2)OC)CBr)C(=O)C(=C1)C(OCC)=O)C(C)C	223
+CC(C)(C)[Si](C)(C)OCCCN1C(N(C)c2sc(c(C)c2C1=O)Br)=O	407
+CC(C)(C)[Si](C)(C)OCCOc1cc(cc(CBr)c1)C	29
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1Cl)CBr	29
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c2c(c(C(NC3CCC(CC3)(F)F)=O)nn2-c4ccc(cc4Cl)Cl)CBr	3650
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-n2c(c(C(=O)NC3CCC(CC3)(F)F)nc2-c4ccc(Cl)cc4Cl)CBr	3651
+CC(C)(C)[Si](C)(C)Oc1cccc(c1)-c2nc(N3CCOCC3)nc4n(C(C)CC)c(nc24)Br	995
+CC(C)(C)[Si](C)(C)Oc1c2c(ccc(n2)C)c(cc1)Br	1977
+CC(C)(C)c1cc(CBr)cc(c1)Cl	29
+CC(C)(C)c1cc(CBr)nc(Cl)c1	299
+CC(C)(C)c1onc(N)c1Br	2536
+FC(F)(F)Sc1cc(C(C)(C)C)cc(Br)c1N	38
+CC(C)(C)c1cc(Br)ccc1O	38
+CC(C)(C)c1ccccc1Oc2nc(Br)ccc2N	408
+CC(C)(C)c1nc(sc1Br)N	617
+CC(C)(c1cc(Br)c(c(C=O)c1)O)C(OC)=O	38
+CC(C)C(N1CCC(CC1)CBr)=O	552
+c1cc(ccc1N2C(=Nc3c(ccc(c3Br)N)C2=O)C(C)C)Cl	38
+CC(C)C=1Oc2c(c(N)ccc2C(C=1c3ccc(cc3)Cl)=O)Br	38
+CC(C)CCCCCCBr	552
+CC(C)CN1C(=O)n2cnnc2-c3[nH]c(nc13)Br	866
+c1cc(ccc1)-c2nc(NCC(C)C)c3n(ccn3)c2Br	2533
+CC(C)COc1c(cc(cc1)Cl)CBr	29
+CC(C)N1C(C=CC(c2nc(c(nc2-c3ccccc3)N)Br)=N1)=O	439
+CC(C)Oc1ccc(cc1)-c2cc3c(Br)c([nH]c3cc2)C(=O)OCC	986
+CC(C)S(=O)(=O)c1ccc(cc1)-c2cnc(N)c(n2)Br	439
+CC(C)[Si](C(C)C)(C(C)C)n1c(c(-c2ccncc2)c(c1)Br)-c3ccc(cc3)F	986
+CC(C)c1c(n2ncc(Br)c2nc1C)Cl	1976
+CC(C)c1cc(Br)ccc1O	38
+CC(C)c1c(c[nH]c1Br)C(=O)OC	653
+CC(C)c1c(cc(C(OC)=O)[nH]1)Br	986
+CC(C)(Br)c1ccc2C(c3ccccc3C(c2c1)=O)=O	6183
+CC(C)c1nc(c(-c2c(nc(c(Br)n2)NC(C)COC)Cl)cc1)OC	439
+CC1(C)OB(OC1(C)C)c2c(cccc2CBr)C	29
+CC1(C)OB(OC1(C)C)c2c(CBr)cc(Cl)cc2	29
+CC1(C)C(=O)N2CC(CCC2C1)c3n4ccnc(Cl)c4c(Br)n3	794
+CC1(C)Oc2c(cc(Br)c(C)c2)NC1=O	38
+CC1(C)c2cc(c(cc2C(C)(C)CC1=O)C=Cc3cc(C)c(C(O)=O)cc3)CBr	29
+CC1(C)CC(=O)c2cc(c(cc2O1)OC)Br	38
+CC1(C)COC(c2c(c(OCC)no2)CBr)=N1	6184
+CC1(C)Oc2c(c(c(Br)c(c2C)C)C)C1	38
+CC1(C)C(C)(C)OB(O1)c2c3c(ccc2CBr)cccc3	29
+c1cc(ccc1C#N)C2=C(C(=O)C(C)(C)O2)Br	6185
+CC1(C)Oc2c(cc(cc2C1)Cl)CBr	543
+CC1(C)c2cc3[nH]c4ccc(Br)cc4c3cc2-c5ccccc15	38
+CC1(C)CCc2cc(c(cc12)Br)OC	38
+CC1(C)c2c(Br)c(c(C(C)=O)cc2CCC1)O	38
+CC1(C)c2cc(c(cc2CCC1=O)Br)OC	38
+CC1(C)CCC(C)(C)c2cc(c(cc12)Br)CBr	29
+CC1(C)CCc2c1cc(C=O)c(O)c2Br	38
+C(C)C(CC)Oc1c(NC)nc(c(Br)c1)I	203
+C(Br)(C(c1ccc2occc2c1)=O)C	2537
+CCCCn1c(Br)nc(c1N)C(=O)N	866
+CCCN(CCC)c1ccc(Br)c2NC(=O)N(C)c12	38
+c1(OCCC)c(-c2nc(c3c(n2)n(nc3C)CCC)O)cc(cc1)Br	38
+c1(Br)c(C)nc(C(OCC)=O)s1	617
+CCOC(=O)c1cn(c(Br)n1)CC=C	866
+CCOC(c1cccnc1CBr)=O	299
+CCOC(c1cc(Br)[nH]c1C)=O	653
+c1cc([nH]c1Br)C(=O)OCC	653
+c1(c(Cl)nccc1C(OCC)=O)CBr	223
+CCc1noc(N)c1Br	2536
+c12cnc(cc1n(CC)cc2Br)C(=O)OC	6186
+CN(C)C(c1c(ccs1)C)Cc2c(ccc(c2)Br)N	38
+CN(C)C(c1oc2c(F)c(c(C)c(c2n1)C#N)C(CBr)=O)=O	3649
+O(C)P(OC)(=O)Cc1c(CBr)nc2c(cc(cc2)Cl)c1	299
+COc1cccc([N+]([O-])=O)c1CBr	29
+COc1cccc(Cl)c1CBr	29
+c1c(OC)c(Cl)ccc1CBr	29
+COc1cc2OCCC(=O)c2cc1Br	38
+C(c1cc(OC)ccc1Br)Br	29
+C(Br)c1ccc(OC)cc1[N+]([O-])=O	29
+COc1ccc(-c2c3c(cc(OC)c(c3)OC)nc(CBr)c2C(C)=O)cc1OC	299
+COc1cc2C(Br)=CN(c3cccc(C#N)c3)C(c2cc1)=O	2538
+c1(c(OC)ccc(Br)c1OC)-c2ccccn2	38
+C[Si](C)(C)CCOCn1c(c(Cl)c2c(O)nncc12)Br	2539
+C[Si](C)(C)CCOCn1c(nc(c1)C(OC)=O)Br	866
+c1c(cc(c(Nc2c(ncc(CNC=O)n2)C(=O)OC)c1)F)Br	6187
+C(Br)c1cccc(Br)c1Cl	29
+c1c(C#N)ccc2c1c(c(c(CBr)n2)C(=O)OC)Cl	299
+C(c1cccc2ccsc12)Br	795
+c12c(nn(C)c1ncnc2Cl)CBr	299
+Cc1nccn2c(ccc12)Br	6188
+C(c1cc(C#N)cc(-c2onc(n2)-c3ncccc3)c1)Br	29
+Clc1cc(CBr)c(OCC#N)c(C)c1	29
+c1(cc(cc(C)c1[N+](=O)[O-])CBr)C	29
+c1cc(Br)c(cc1CBr)C(=O)O	29
+c1cc(I)c(Cl)cc1CBr	29
+c1c2c(nc(-c3cc(c(cc3)CBr)-c4cc(ccc4)C#N)o2)ccc1	29
+C(c1ccc(cc1F)C#N)Br	29
+C(c1ccc(cc1F)C(=O)OC)Br	29
+c1cc2c(ccc(NC(C)=O)n2)cc1CBr	29
+c1c(CBr)cc2c(occ2)c1	29
+C(c1cccc(c1Br)C#N)Br	29
+c1c(ccs1)-c2ccccc2CBr	29
+c1(CBr)c(-c2nnsc2)cccc1	29
+Clc1c(c(nc(c1)Cl)CBr)C#N	299
+Cc1nc2c(c(N)c1C(=O)OCC)c(c(Br)s2)-c3cc(ccc3)OC	407
+Cc1nc2ccc(Cl)cc2cc1CBr	223
+c1(F)cc2c(cc1)nc(c3c(nc(Br)n23)C)C	6189
+Cc1nc2c(c(C)c(Br)s2)c(N)c1C(=O)OCC	407
+Cc1nc(Br)c(nc1-c2ccc(Oc3nccc4c3cco4)cc2C)N	439
+ClC(Cl)=C(Cl)c1cc(CBr)cc(c1)C	29
+ClC(Cl)=C(Cl)c1cc(cc(C(Cl)=C(Cl)Cl)c1)CBr	29
+C(c1ccc(C#N)cc1Cl)Br	29
+c1(cc(Br)cnc1N)OCc2c(Cl)ccc(F)c2Cl	203
+C(c1cc(c(Cl)cc1C#N)[N+]([O-])=O)Br	29
+c1(c(c(Br)cc2CCN(CCc12)C(OCC)=O)N)Cl	38
+Clc1cc(cc(CBr)c1)Br	29
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(CBr)c2F)c1	29
+Nc1cc(Cl)c(Br)cc1C#N	38
+Nc1c(cc(Br)c(Cl)c1)[N+]([O-])=O	38
+Nc1cc(F)c(Br)c(Cl)c1	38
+C(c1ccc(OC(C)=O)cc1Cl)Br	29
+Clc1cc(c(CBr)cc1)C(=O)OCC	29
+c1c(Cl)c(c(c(N)c1[N+]([O-])=O)Br)Cl	38
+C(c1cc(cc(Cl)c1C(=O)OC)Br)Br	29
+c1c(Cl)c(c(cc1C(C)(C)O)Cl)Nc2nc3ccncc3c4c(O)ncc(c24)Br	3376
+Clc1cc(ccc1)Nc2ncc(Br)s2	617
+Clc1cc2c(c(C(=O)OCC)sc2cc1)CBr	795
+c1(Cl)ccn2c(ncc2Br)c1	973
+Clc1ccc(C(c2oc3cc(ccc3c2CBr)Br)=O)c(Cl)c1	6190
+Clc1ccc(CBr)nc1Cl	299
+Clc1ccc(CC)c(-c2[nH]c(-c3c(cnc(N)n3)Br)cc2C(=O)OCC)c1	1583
+Clc1cc(Br)c(N)c([N+]([O-])=O)c1	38
+Clc1ccc(c(Cl)c1)C2C(=C(N=C(c3ncccc3F)N2)CBr)C(=O)OCC	1093
+N1c2c(cc(Br)c(Cl)c2)CCC1=O	38
+Clc1ccc2c(c1)n(c(Br)c2Sc3cc(ccc3)C(=O)OCC)-c4cn(CCC)nc4	2539
+Clc1ccc2cnc(CBr)cc2c1CC(OC)=O	299
+Clc1cccc(-c2[nH]nc(c2Br)N)c1	875
+Clc1cccc(Oc2cc(ccc2OC)CBr)c1	543
+Clc1cccc(c1)-c2c(ccc(CBr)c2F)OC	543
+Clc1cccc(c1)-c2nn(-c3cc(CBr)c(Cl)cc3)cc2	29
+FC(F)(CCCCCCCCCCCCCCCC)C(=C)CBr	2534
+FC(F)(F)C(N1CC(C)c2cc(Br)c(cc2CC1C)OC)=O	38
+FC(F)(F)C(=O)N1CC(C)c2cc(c(OC)cc2CC1)Br	38
+FC(F)(F)C(NNc1ncc(nc1Cl)Br)=O	439
+FC(F)(F)C(N1C(=O)C(=C(C(=C1)Br)OC)C#N)C2CC2	6191
+FC(F)(F)C1(CC(C)(C)c2c(cccc2)CBr)OC1	29
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(CBr)c(c3)Cl	29
+FC(F)(F)C=1N(C(=O)N(C(C=1)=O)c2ccc3snc(-c4sccc4CBr)c3c2)C	795
+FC(F)(F)COc1cc(ccc1F)CBr	29
+FC(F)(F)COc1nc(Br)c(N)cc1Cl	408
+FC(F)(F)COc1c(CBr)cccc1Cl	29
+FC(F)(F)COc1cc(cc(Br)c1N)C(C(OC)=O)CC2CCC2	38
+FC(F)(F)Oc1ccc(cc1Br)C=O	38
+FC(F)(F)Sc1cnc(c(Br)c1)NC	203
+FC(F)(F)c1c(Cl)cccc1CBr	29
+FC(F)(F)c1c(c(C(=O)OC)ccc1)CBr	29
+FC(F)(F)c1c(N)c(cc(Br)c1)Cl	38
+FC(F)(F)c1c(Br)c(-c2ccc(cc2)-c3cc(ccc3)S(=O)(=O)C)n(CC(OCSC)=O)n1	875
+FC(F)(F)c1cc(cc(c1)CBr)-c2ccc(cc2)C#N	543
+FC(F)(F)c1cc(-c2nc3ccc(CBr)cc3s2)ccc1-c4ccccc4	29
+FC(F)(F)c1c(cc(Cl)c(c1)N)Br	38
+FC(F)(F)c1c2c(O)c(Br)ccc2nc(O)c1	38
+FC(F)(F)c1cc(cc(c1)C#N)Oc2c(ccc(CBr)c2F)Cl	29
+FC(F)(F)c1cc([N+](=O)[O-])c(c(c1)Br)NC	38
+FC(F)(F)c1cc([N+]([O-])=O)ccc1-c2ncc(CBr)cc2	223
+FC(F)(F)c1cc(c(c(CBr)c1)I)[N+](=O)[O-]	29
+FC(F)(F)c1c(c(Cl)cc(N)c1)Br	38
+FC(F)(F)c1cc(-c2oc(cn2)CBr)ccc1	3652
+FC(F)(F)c1c(CBr)ccc(C(=O)OC)c1	29
+FC(F)(F)c1cc(Nc2cc(cc(n2)Br)CBr)ncc1	29
+FC(F)(F)c1cc2c(Cl)c(C(OC)=O)c(CBr)nc2cc1	299
+FC(F)(F)c1ccc(c(c1)Br)CBr	29
+FC(F)(F)c1c(cc(c(Br)c1)N)F	38
+FC(F)(F)c1ccc(cc1)-c2c(ccc(c2)CBr)C(OC)=O	29
+FC(F)(F)c1ccc(cc1)-c2nc(CBr)c(C(OC)=O)cc2	299
+FC(F)(F)c1ccc(cc1)-c2c(Br)oc(CCOC(=O)C)n2	6192
+FC(F)(F)c1ccc(cn1)-n2c(Br)nc(c2-c3c(F)cc(cc3F)OC)Cl	866
+FC(F)(F)c1cc(-c2nc(CBr)ccc2OC)ccc1	299
+FC(F)(F)c1cc(ccc1)-c2nc3ccc(S(=O)(=O)C)cc3c(C(OC)=O)c2CBr	223
+FC(F)(F)c1cccc(c1)-n2c(C)c(Br)nc2OCC	984
+FC(F)(F)c1cc(ccc1)N2C(=C(N=C(C(=O)NC)C2=O)Br)C	6193
+FC(F)(F)c1cc(ccc1)-c2n3ncc(c3ncc2)Br	1976
+FC(F)(F)c1c2nc(c(n2ccc1)-c3cc(Oc4cccc(S(=O)(=O)C)c4)ccc3)CBr	3651
+FC(F)(F)c1cn2c(cc1)c(Br)c(-c3cc(F)ccc3)n2	6194
+FC(F)(F)c1cn2c(c(ccc2Br)NC)n1	2535
+FC(F)(F)c1cnc(NC)c(Br)c1	203
+FC(F)(F)c1cn2c(c(ccc2Br)N)n1	2535
+FC(F)(F)c1nc2c(c(Br)ccc2OC)[nH]1	6195
+FC(F)(F)c1nn(C(C)C)c(OC(F)F)c1CBr	3650
+FC(F)(F)c1n2CCC(Cc2nn1)c3nc(c4c(Cl)nccn34)Br	794
+FC(F)(F)c1nnc2n1CCN(c3nc(c4c(Cl)nccn34)Br)C2	794
+FC(F)Oc1c(c(-c2cc(CBr)c(cc2)Cl)nn1C)Cl	29
+FC(F)c1nc(Br)c(N)cc1	408
+C1(=C(N=C2N(C1=O)C=C(F)C=C2)CCl)Br	2521
+c1(c(ccc(c1)-c2cc(ccc2)OC)CBr)F	29
+[N+]([O-])(=O)c1cc(F)c(cc1F)CBr	29
+c1(cc(c(F)cc1C(OC)=O)CBr)F	29
+CCOC(c1c(cc(c(F)c1)CBr)F)=O	29
+Fc1cccc(F)c1COc2c3n(c(Br)c(C)n3)ccc2	973
+N#Cc1c2c(c(O)nc1)cc(Br)s2	6196
+N#Cc1ccccc1Oc2c(O)cc(c(Br)c2)C	38
+N#Cc1csc(CBr)n1	3653
+C(Br)c1ccc2c(nc(NC(C)=O)cc2)c1	29
+C(c1cc(N2C(=CC(=C(Br)C2=O)OCc3ccc(cc3CNC(OC)=O)F)C)c(C)cc1)(=O)O	2540
+c1c(ccc(COC2=C(Br)C(N(C(=C2)C)c3c(C)ccc(C(=O)O)c3)=O)c1F)F	2540
+N1(C=CC=C(C1=O)C(=O)NC(CC(OC)=O)c2sc(cc2)Br)Cc3ccc(F)c(F)c3	407
+N1=NN(c2c(c([N+]([O-])=O)ccc2)CBr)C(=O)N1C	29
+N1=NN(c2cccc(Br)c2CBr)C(=O)N1C	29
+N1=NN(c2cccc(Cl)c2CBr)C(=O)N1C	29
+N1=NN(c2cccc(I)c2CBr)C(=O)N1C	29
+N1=NN(c2c(c(ccc2)OC)CBr)C(=O)N1C	29
+N1=NN(c2c(c(ccc2)OCC)CBr)C(=O)N1C	29
+c1(cc2NC(CCc2cc1Br)=O)F	38
+c1(c(N)ccc(Br)c1F)C#N	38
+Nc1c(F)cc(Br)cn1	203
+c1(cc2c(s1)C(NCC2)=O)-c3cc(Br)cnc3N	203
+Nc1c(C(=O)OC)nc(Br)c(F)c1	408
+c1(C)cc(N)c2OCCc2c1Br	38
+c1(C)cc(N)c2c(CC(C)O2)c1Br	38
+Nc1cc(C)c(cc1[N+]([O-])=O)Br	38
+Nc1cc(c(cc1Br)Cl)OC	38
+Nc1c(c2n[nH]cc2cc1Br)C(=O)OC	38
+Nc1c(c(Cl)c(cc1)Br)C	38
+Nc1ncc(Br)c(C#N)c1	203
+Nc1ncc(Br)c(C)n1	1583
+Nc1ncc(Br)c(Cl)c1	203
+C(c1c(OC(C)=O)cc([N+]([O-])=O)cc1)Br	29
+C(OC)C(COC)(C(OC)=O)c1cc(c(O)c(c1)Br)C=O	38
+O(C)c1c(Cl)cc(c(F)c1[N+](=O)[O-])CBr	543
+O(C)c1ncc(Br)c(Cl)c1	203
+c1(cc(sc1OC)C(=O)OC)Br	2541
+O(CC)C(C(N1C(COc2c1cc(c(C)c2)Br)=O)C)=O	38
+O(CC)P(OCC)(=O)C(F)(F)c1ccc(CBr)cc1Br	29
+O(CC)P(OCC)(=O)C(F)(F)c1c(Cl)cc(CBr)cc1	29
+c1c(OC(C)=O)c(c2c(c1)C(=C(C(=O)O2)CBr)C)C	6197
+O(c1cccnc1C(=O)CBr)C	6198
+C1COC2(CCC(CC2)Nc3c(O)cc(Br)cc3)O1	38
+C1CC(CCC12OCCO2)c3nc(c(N)nc3)Br	439
+O1CCOC12CC3CCOc4cc(N)c(cc4C3(CC2)CC)Br	38
+O=C(C)OCC(COC(=O)C)c1ccc(c(c1)Br)N	38
+c1c(cc2NC(=O)CC3N(c2c1)CCNC3)Br	38
+O=C1c2c(C(=O)N1C(COc3cc4N(C(=O)c5c(ccnc5C)-c4cc3Br)C)CC(C)C)cccc2	38
+C1(=O)c2c(C(=O)N1c3ccc(CBr)c(F)c3)cccc2	29
+O=Cc1cc(cc(c1O)Br)C(=O)OC	38
+c1(ccc2C(=O)N(C=C(c2c1)Br)c3cc(c(cc3)C=O)OC)OC	2538
+O=Cc1cc(c(cc1N)OC)Br	38
+O=S(=O)(C)Nc1cc(Nc2ncc(Br)s2)ccc1	617
+O=S(=O)(Oc1ccc(Cl)c(c1)CBr)C	29
+O=S(=O)(c1cc(-c2sc(cc2)-c3nn(C)cc3Br)ccc1)C	875
+O=S(=O)(c1ccc(cc1CBr)C#N)CC	29
+O=S(=O)(Cl)c1c(cc(Br)cc1)CBr	29
+O=S(=O)(Cl)c1cc(CBr)ccc1	29
+O=S(=O)(N(C)C)NC(c1cc(F)c(cc1F)CBr)=O	29
+O=S(=O)(N(COC)c1cccc(-c2nc(sc2Br)N)c1F)c3c(F)ccc(F)c3	617
+O=S(=O)(c1cc2c(Br)cnn2cc1)N(C3CC3)c4ccc(C#N)cn4	3654
+O=S(=O)(Cl)c1cc2n(cc(Br)c2cc1)C	986
+O=S1(=O)Cc2cc(ccc2N1C)Br	38
+c1c(cc(CCO)c(c1)O)Br	38
+Oc1c2sccc2c3c(Br)c(OC)c(c(c3n1)F)F	1977
+CCOC(c1cc(Br)c(C)[nH]1)=O	986
+c12c(c[nH]c1ncnc2Cl)Br	3648
+Brc1c2cccnc2[nH]c1	1978
+Nc1c(cc(Br)c(-c2ncco2)n1)[N+](=O)[O-]	203
+C(c1cc(-c2nc3cccc(c3o2)C(OC)=O)ccc1)Br	29
+n1ccc(cc1-c2c(Br)n(CCc3ccccc3Cl)cn2)C#N	984
+n1c2n(c(c1-c3cc([N+]([O-])=O)c(C)cc3)Br)nc(OC)cc2	1975
+Nc1c(cc(Br)c(-c2cccnc2)n1)[N+](=O)[O-]	203
+c1(-c2ncon2)cc(F)c(CBr)cc1	29
+c1(C(=O)O)cc(-c2n(C)ncc2Br)c(Cl)s1	875
+C(Br)c1c(F)ccc([N+]([O-])=O)c1	29
+C(c1ccc(cc1Br)C(=O)OC)Br	29
+c1(CBr)c(ncc(Br)c1)C(=O)OC	223
+c1(cc(C)cc(c1)CBr)CC(O)=O	29
+c1(cc(-c2cnc(OC)c(OC)c2)cc(c1C(=O)OC)CBr)C	29
+C(Br)c1ccc(Cl)c(Oc2c(c(F)cc(c2)Br)Cl)c1F	29
+c1(CCCC)[nH]c(c(C=O)n1)Br	984
+c1(C=O)cc2c(Br)n[nH]c2cc1	6199
+O=Cc1cc(cc(C(=O)O)c1)Br	38
+C(Br)c1cc(cc(C)c1OC)Br	543
+c1(cccc(Cl)c1COc2cc(cnc2N)Br)Cl	203
+c1(Cl)cccc(Cl)c1N2C=C(Br)c3c(cnc(SC)n3)C2=O	3655
+c12n(c(Cl)cc(n1)Cl)ncc2Br	1976
+Fc1cc(cc(F)c1Br)N	38
+C(C(Br)c1cccc(F)c1)(OC)=O	2542
+c1(I)cc(ccc1F)CBr	29
+Nc1ccnc(Cl)c1Br	203
+Nc1c(Br)nc(-c2cc3cnn(C)c3cc2)cc1	408
+c1(OC)cc(CBr)cc(Br)c1	543
+c1(cc(cc(OC)c1CBr)C#N)OC	29
+C(Br)c1ccc(Cl)c(Oc2cc(cc(Br)c2)C#N)c1F	29
+C(c1ccc([N+]([O-])=O)cc1Cl)Br	29
+C(Br)c1ccc(OCC)cc1[N+]([O-])=O	29
+c1([N+]([O-])=O)cccc(-c2nc3c(o2)ccc(CBr)n3)c1	299
+c1(c(-c2ccncn2)cc(Br)c(n1)N)-c3occc3	203
+c1([N+]([O-])=O)cccc(c1CBr)Br	29
+Nc1c(C#N)c(C)c(Br)cn1	203
+c1c(cc(c(F)c1)C23COC(C)C2CSC(N)=N3)Br	6200
+COc1cnc2ccc(c(c2n1)CBr)F	223
+c1(O)c(cc(cc1F)Br)C=O	38
+Ic1c(CBr)cc(Br)cn1	223
+Nc1c(cc(cc1C)F)Br	38
+c1(ccc([N+]([O-])=O)c(c1C(=O)OC)CBr)Br	29
+C(c1cccc(c1C(=O)OC)Br)Br	29
+C(Br)c1cccc([N+]([O-])=O)c1Cl	29
+c1(c(F)ccc(Br)c1F)CBr	29
+C(Br)c1cccc([N+]([O-])=O)c1F	29
+c1(O)c(F)cc(cc1C#N)Br	38
+O(C)c1c(c(c(C(=O)O)cc1Br)O)F	38
+c1(c(cc(c(CBr)c1)C(=O)OC)[N+]([O-])=O)OC	29
+CCOC(c1c2c(c(CBr)cs2)c(Cl)nc1)=O	795
+c1(cc(cs1)-c2n(C)ncc2Br)C(=O)OC	875
+c1(cc(-c2c(Br)[nH]c(CC)n2)ccc1F)C	984
+c1(cc(CNc2nc(F)c(cc2)Br)cnc1OC)F	203
+O(C)c1c(C(=O)C)cc(Cl)c(C)c1Br	38
+c1(cc(F)ccc1)C2=CC(Oc3cc(ccc23)CBr)=O	29
+C(c1c(Br)c(C)cc([N+]([O-])=O)c1)Br	29
+c1(Cl)cc(cc(Cl)c1CBr)Br	29
+c1(cc2OCCC(C(c2cc1)=O)Br)N3CC(CNC(C)=O)OC3=O	2537
+c1(c(OCc2ncccc2)nc3c(c(Br)cn3C)c1)F	1978
+c1(c(c2c(cc(OC)cc2)cc1)Br)O	38
+c1(ccc(cc1F)CBr)C(=O)O	29
+c1c(cc(c(N)c1)Nc2cc(F)c(cc2)C(=O)OCC)Br	38
+c1(ccc(OC)cc1-c2nc3c(cccc3CBr)o2)OCOC	223
+c1(ccc(cc1Br)F)C2C(=C(N=C(c3sc(OC)cn3)N2)CBr)C(=O)OCC	1093
+c1c(nc(CC)c(c1)Br)N	203
+c1(cccc(F)c1)CN2C=CC(O)=C(Br)C2=O	2540
+c1(cccc(N=C2N(C=C(Br)S2)COC)n1)C(=O)OC	6201
+c1c([N+](=O)[O-])cc(cc1Br)[N+](=O)[O-]	38
+c12ccc(Br)c(c1cccc2)O	38
+c12ccccc1c(O)ccc2Br	38
+c1cc(c(cc1Br)CC)OC	38
+c1c(c(ncc1Br)N)Cc2ncccc2	203
+Clc1ccc(F)c(c1C(C)Oc2cc(Br)cnc2N)Cl	203
+Brc1sc(cc1)CCCCC	407
+o1c(Br)cc(c1C)C(=O)OC	1314
+c1(ccsc1CNC(=O)C)CBr	795
+c1(CO)cc(Br)sc1Cl	407
+C(C)OC(c1cn2ncc(C#N)c(Cl)c2c1CBr)=O	223
+Cc1nc(c2ccc(OC)cc2c1Br)O	203
+c1(nc(N)c2nc(n(C3CCCCO3)c2n1)Br)NC(CCC)C	995
+c1(cccc(CBr)n1)C(=O)OC	299
+n1c2c(occ2)ccc1CBr	299
+c1cc(Br)c2c3N(C(Nc13)=O)C(c4ncccc4)(C(=O)N)CO2	38
+c1(ncccc1)N2C=C(Br)C=CC2=O	6202
+c1c(Br)cc2c(N(CCC2)C)c1	38
+BrC=1c2n[nH]c(c2C(N(c3c(cccc3)C)C=1)=O)N	3655
+C(c1csc2cc(Cl)c(F)cc12)Br	795
+c12c(c(Cl)c(C(=O)OC)c(n1)CBr)cccc2	299
+c1(C)c2c(c(c(c(n2)O)C)C)c3OC(CBr)Cc3c1	6203
+c1c(c(O)c2c(ccc(n2)OC)c1Br)F	1977
+c1cc2scc(Br)c2cc1CO	2541
+c12nc(SC)ncc1cc(Br)c(O)n2	203
+Cc1nc2nc(ncc2cc1Br)NCCOC	203
+c1(c2c(c(cn1)Br)ncnc2)O	3656
+n1cc2ccc(C(=O)O)cc2c(Br)c1	203
+CCCCC1C(c2c(C1)c(c(O)c(F)c2)Br)=O	38
+c1cc2c(cc1F)c(cnc2N)Br	203
+C(Br)c1ccc2cccc(Br)c2n1	299
+n1c2c(ccc1CBr)cc([N+]([O-])=O)cc2	299
+c1cccc2ccc3c(cc(c4ccccc34)CBr)c12	29
+c12CCNc1c(F)cc(Br)c2	38
+c1(c(Cl)cc2n(c(Br)nc2c1)C3CC(C(C3OC(=O)C)OC(=O)C)COC(=O)C)Cl	3570
+c1c2c(ncc1CBr)sc(n2)-c3c([N+]([O-])=O)cccc3	223
+c1c(-c2cc(CBr)ccc2)csc1	29
+c1(Br)cccc(Br)c1CBr	29
+C(Br)c1c(cc(Br)c(C(=O)O)c1)F	29
+c1c(C#N)ccc2C(C(CCc12)Br)=O	2537
+C(Br)c1cccc(C)c1Cl	29
+c1(C)cc(cc(C)c1Oc2c3c(nc(Nc4ccc(cc4)C#N)n2)c(cn3C)Br)C#N	6204
+C(c1c(Br)c(C)cc(OC(C)=O)c1)Br	29
+COc1nc2c(-c3ccc(CBr)cn3)ccnc2cc1	223
+c1cc(Br)ncc1CBr	223
+c1cc(ncc1CBr)N2CCCC2=O	223
+c1c(CCCBr)c(F)c(Cl)cc1	552
+c1c(-c2ccccc2Cl)sc(n1)CBr	3653
+Clc1cc(c(cc1)Oc2c3c(cccc3)ccc2)CBr	29
+c12c(c(Br)ccc1)cc(Cl)nc2Cl	38
+c1c(Br)c(F)c(C#N)c(F)c1	38
+c1cc(CBr)c([N+]([O-])=O)cc1I	29
+c1c(NC(C)=O)c(cc2C3=C(C(CCC3(CCCC)Cc12)=O)Br)F	6205
+c1c(OC(CBr)=CC(OCC)=O)c2c(cccc2)cc1	3657
+c1(Oc2ccc([N+]([O-])=O)cc2Cl)cccc(C(=O)OC)c1CBr	29
+C(c1cc(c(C#N)cc1Br)F)Br	29
+c1c(c(C#N)cc(Br)c1O)F	38
+C(OC(=O)Nc1c([N+]([O-])=O)cc(cc1)CBr)C	29
+c1(F)c(Cl)cc(c(O)c1Br)C(=O)C	38
+n1c(c(Br)cc(c1N)[N+]([O-])=O)-c2c(cccc2)F	203
+c1(cc(Br)c(C#N)cc1NC)[N+]([O-])=O	38
+c1c(cc(c(CBr)c1)C(=O)OC)Br	29
+c1c(cc(CBr)c(C(=O)OC)c1)Br	29
+c1c(cc(CBr)c(Cl)c1)Br	29
+c1c(cc(CBr)c(I)c1)Br	29
+c1c(cc(CBr)cc1)C(NC)=O	29
+c1c(cc(CBr)cc1F)Br	543
+c1c(cc(c(CBr)c1)I)Br	29
+c1c(cc(c(CBr)c1)C(=O)OCC)Br	29
+c1c(cc(c(NC2=C(C(=O)OC)C=C(C(N2C)=O)Br)c1)F)Br	6206
+O1c2cc(c(Br)cc2CC1)Br	38
+c1c(cc2ccc(nc2c1)CBr)Br	299
+n1c(cccc1CBr)F	299
+Cc1c(Br)n2c(n1)ccc(Cl)n2	1975
+c1c2c(ccc1)CC(C2Nc3nc(c(nc3CC)Br)CC)O	439
+c1c2c(CBr)ccc(F)c2oc1	29
+COc1cc2c(c(ncc2Br)O)cc1	203
+c1cc2c(CCCN2)cc1Br	38
+c12ccc(cc1c3ccccc3n2C)Br	38
+c1cc2c(cc1CBr)c(Cl)ncc2	29
+c1c(c(OC)cc(c1)-c2nc3ccccc3o2)CBr	29
+c1cc2ccc(nc2c(CBr)c1F)OC	223
+c1cc2c(c(c1OC)Br)ccc(n2)C	1977
+C(C)OC(c1nc(Br)c2ccccn12)=O	6207
+CCOC(c1ccccc1CBr)=O	29
+c1(c(CBr)cccc1Oc2c(F)cccc2)OC	29
+c1cc(cc(OCCCOC)c1OCC)CBr	29
+C(OC)CCOc1cc(c(C)cc1OC)Br	38
+C(c1ccc2c(nccn2)c1)Br	29
+c1cc(CBr)ncc1Br	299
+c1cc2c(n(CC)cc2Br)nc1F	1978
+ClCc1cc(Br)c(O)c(C(=O)C)c1	38
+C(c1cc(ccc1[N+]([O-])=O)F)Br	29
+O=Cc1c(O)c(cc(C2CCOC2=O)c1)Br	38
+BrC1=CN(C(=O)C(C#N)=C1Cl)c2c(cccc2)C	6208
+c1cc(ccc1-c2c(-c3ccccc3)cc(C#N)c(n2)Cl)CBr	29
+c1cc(ccc1)-c2onc3c2cccc3CBr	223
+c1ccccc1-c2c(c(n[nH]2)CCC#N)Br	875
+c1ccccc1-c2cc3c(csc3cc2)Br	2541
+C1CC(CCC1CC=2OC(=O)NN=2)c3c(Br)c(N)n4c(n3)c(cn4)-c5cnc(cc5)-c6ccccc6	1583
+c1ccccc1-c2ncc(CBr)cc2	223
+c1ccccc1-c2cc3c4c(ccc(c4)-c5ccccc5)n6-c7ccc(cc7C(C)(C)c(c2)c36)Br	38
+c1ccccc1-c2nc(N)nnc2Br	6209
+c1cc(ccc1)-c2nc3c(c(c2CBr)C(=O)NN(C(=O)OC)c4ccccc4)cccc3	223
+c1cc(ccc1)-c2c3ccc(CBr)cc3no2	29
+c1ccccc1-n2c(c(C#N)c3c(O)c(nc(Br)c23)C(OCC)=O)-c4ccc(cc4)F	6210
+c1cc(ccc1)C(NC(=O)c2c3n(c(c2)Br)CCOC3)CC	653
+c1cc(ccc1)C(NC(=O)Nc2ncc3c(c2Br)[nH]nc3NCC)C	3656
+c1cc(ccc1)-c2nc3ccccc3c(C(NC(c4ccccc4)CC)=O)c2CBr	223
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(c5c4cc([N+](=O)[O-])c(c5)CBr)Br	29
+c1ccccc1C(c2ccccc2)=Nc3c(c(C(F)(F)F)c(cc3)C#N)CBr	29
+c1cc(ccc1)C=2C(N(c3c(c(O)c(C(OC)=O)nc3Br)C=2)C(c4ccccc4)C)=O	408
+C1CC(CCN1c2c(C#N)c3nnc(Br)n3cc2)c4ccccc4	6211
+c1cc(ccc1)C2CCc3c4c(NC(=O)N24)ccc3Br	38
+c1ccccc1CCC2=Cc3c(c(C(OC)=O)nc(c3N(C2=O)Cc4ccccc4)Br)O	408
+c1cc(ccc1)CCCCBr	552
+c1ccccc1OC(=CC(OCC)=O)CBr	3657
+c1cc(ccc1)Oc2c3c(O)c(nc(Br)c3ccc2)C(OC)=O	408
+c1ccccc1Oc2c3c(nc(c(O)c3ccc2)C(=O)OC)Br	408
+c1cc(ccc1)Oc2c3c(NC(CC3)C)ccc2Br	38
+O=S(=O)(c1ccccc1)n2c(CBr)c(cc2)C(=O)OCC	299
+c1cc(ccc1)Sc2cn3c(c(NC(=O)OC)nc3cc2)Br	973
+c1cc(ccc1OCCBr)-c2c(C#N)c3c(n2CC)cc(cc3)OC	552
+c1cc(ccc1Cl)-c2sc3c(C(=O)N(C(=O)N3C)CCC(OC)=O)c2CBr	795
+c1cc(ccc1-c2c(c(cnc2N)Br)CC)OC	203
+c1cc(ccc1-c2c(cnn2CC(NCCBr)=O)-c3ccc(cc3)C#N)C#N	552
+c1cc(ccc1-c2c(sc(Br)c2)CO)Cl	407
+c1cc(ccc1OC)-c2c(oc3ncnc(c23)NCCCCCC(OC)=O)Br	1314
+c1cc(ccc1-c2c3c(cc(CBr)cc3)nc(C#N)c2)F	29
+c1cc(ccc1-c2cc(C(=O)OC)nc3c(c(ccc23)CBr)F)F	29
+c1cc(ccc1-c2cc(CBr)cc(c2)Br)F	543
+c1cc(ccc1F)-c2c(Br)c3cccc(Cl)n3n2	3654
+Fc1cccc(F)c1CN2n3c(c(CBr)c(c3)-c4ccc(cc4)[N+](=O)[O-])C(N(c5cccc(c5F)OC)C2=O)=O	223
+c1cc(ccc1-c2c(ncnc2)C#N)CBr	29
+c1cc(ccc1F)-c2c(Br)c(nn2C)C	875
+c1cc(ccc1-c2nc(cc(OC)n2)C)CBr	29
+c1cc(ccc1-c2oc3cccc(CBr)c3n2)Cl	223
+c1cc(ccc1-c2c(c3c(o2)cc(N(S(=O)(=O)C)C)c(-c4ccc5ncc(Br)n5c4)c3)C(NC)=O)F	973
+c1cc(ccc1-c2c(CBr)cc(s2)C(=O)c3occc3)F	795
+c1cc(ccc1[N+](=O)[O-])-n2c(c3c(n2)N(Cc4c(F)cccc4F)C(N(c5c(c(ccc5)OC)F)C3=O)=O)CBr	299
+c1cc(ccc1C#Cc2cc3c(OC(C)(C)CC3(C)C)c(CBr)c2)CC(=O)OC	543
+c1cc(ccc1-c2oc(cc2)Br)C#N	1314
+c1cc(ccc1C#N)Oc2cc(c(cc2Br)F)OC	38
+c1cc(ccc1Oc2c(C(C)CC)c(OC)ccc2Br)C#N	38
+c1cc(ccc1C#N)Oc2ncc(CBr)cc2	223
+c1cc(ccc1C(C2CCC2)=O)CBr	29
+c1cc(ccc1C(=C)CBr)F	6212
+c1cc(ccc1C(C)=O)CBr	29
+c1c(ccc(N)c1Br)C(=O)C	38
+c1cc(ccc1C(O)=O)-c2sc(cc2)Br	407
+c1cc(ccc1C(OC)=O)C#CBr	6213
+c1cc(ccc1C(c2c(ccc(Br)c2)Cl)=O)CBr	29
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(CBr)n3nnnc3	6214
+c1cc(ccc1C(c2cc(CBr)ccc2)=O)Cl	29
+c1cc(ccc1Cl)C(=O)c2cc(Br)ccc2N	38
+c1cc(ccc1-c2c(F)cccc2)CBr	29
+c1cc(ccc1CBr)-n2cc(c(Cl)c2C#N)Cl	29
+c1cc(ccc1CBr)C(=O)Cl	29
+c1cc(ccc1OC(C(OC)=O)c2ccccc2Cl)CBr	29
+O=S(=O)(CC)c1ccc(cc1)CBr	29
+C1CC(CCO1)c2cc(c(cc2)OC)Br	38
+c1cc(ccc1C=CC(=O)OC)CBr	29
+c1cc(ccc1S(=O)(=O)C2CCOCC2)C(Br)C(OC)=O	2542
+c1(cc(c(cc1)CC)Br)C=O	38
+c1cc(ccc1C(C)Br)[N+]([O-])=O	3658
+Nc1ccc(CCC(N)=O)cc1Br	38
+c1cc(ccc1C(Br)CCOC)Cl	3658
+c1cc(ccc1CNC(=O)c2cc(c(Cl)nc2N)Br)OCc3ccccc3	203
+c1cc(ccc1-c2ccc(F)cn2)CBr	543
+c1cc(ccc1Cl)Cc2c([nH]c3c2cccc3)Br	2539
+c1cc(ccc1-c2c(CBr)cnc(F)c2)Cl	223
+c1cc(ccc1-c2c3c4c(cc2Br)ccc5c4c(ccc5)cc3)Cl	38
+c1cc(ccc1Cl)-c2n(c(C(CC)=O)c(c2C)Br)CC	986
+c1cc(ccc1-n2c(nc(Cl)c2-c3c(F)c(C#N)ccc3F)Br)Cl	866
+c1cc(ccc1Cl)C(c2c(Cl)cc(CBr)cc2)=O	29
+c1cc(ccc1Cn2ncc(-c3c(Br)sc(n3)Nc4ccccn4)c2)OC	617
+c1cc(ccc1-c2c(Br)n3c(n2)CCCC3)F	984
+c1cc(ccc1F)CNC(c2sc(Br)cc2C)=O	407
+c1cc(ccc1N2N(C)C(C)=C(C2=O)Br)F	6215
+C1CC2CCN1CC2Oc3nnc(-c4ccc(c(c4)Br)N)cc3	38
+O=S(=O)(CCc1ccc(N)c(c1)Br)N(C)C	38
+c1c(Br)c(ccc1C(=O)OCC)O	38
+c1cc(ccc1-c2cc(CCC)cc(Br)c2N)OC	38
+c1cc(ccc1OC)-c2c(Br)oc(CBr)n2	6216
+c1cc(ccc1OC)COc2c3n(c(c(n3)C)Br)cc(N4C(C=CC=C4)=O)c2	973
+c1cc(ccc1OC)N2C=C(c3cc(ccc3C2=O)OC)Br	2538
+c1cc(ccc1S(=O)(=O)N(c2c(cccc2C(OC)=O)CBr)C)OC	29
+c1cc(ccc1OCc2ccccc2)N(C(c3c(C)n(c(c3)Br)C)=O)C	653
+c1cc(ccc1Oc2cccc3c(O)c(C(OC)=O)nc(Br)c23)OC	408
+c1cc(ccc1Cl)Oc2ccc(cc2)C(C(OC)=O)Br	2542
+c1cc(ccc1CBr)Oc2c(cccc2)C(=O)OC	29
+c1cc(ccc1OC)-c2ccc(cc2)S(=O)(=O)Nc3c(Br)c(no3)C	2536
+c1cc(ccc1Cl)Sc2ncnc(C(Br)C)c2F	6217
+c1cc(ccc1-c2ccc(CBr)c(C(=O)OC)c2)[N+]([O-])=O	29
+c1cc(ccc1-c2c(c(C(=O)OC)[nH]c2Br)-c3ccncc3)F	653
+c1cc(ccn1)-c2cc(c3ccncc3c2)Br	38
+c1cnccc1-c2c(-c3occc3)nc(c(n2)Br)N	439
+c1(F)nc(NCc2c(Cl)cccc2)ccc1Br	203
+c1(cc2N(C(CCc2cc1Br)=O)C)F	38
+c1(F)c(cc2CCCOc2c1)Br	38
+C(c1cccc2ccc(cc12)F)Br	29
+c1ccc2c(cc3c(ccc(c3)CBr)c2)c1	29
+BrCc1c2c(ccc1)cccc2C	29
+c1cc(c(C)cc1Br)OCC(OC)=O	38
+N12CCCc3cc(cc(CC1)c23)Br	38
+c1ccc2c(sc(-c3c(N)ncc(c3)Br)n2)c1	203
+c1ccc2c(c(C(=O)OC)sc2c1)CBr	795
+C1(=O)c2ccccc2C(=O)N1C(C(F)F)CC(CBr)=C	2534
+c1nc2c(Cl)nc3ccccc3n2c1Br	6218
+c1ccccc1-c2cc(CBr)ccc2C(=O)O	29
+c1cc(ccc1)-c2c(c(C(OC)=O)c3c(cccc3)n2)CBr	223
+c1ccccc1-c2ccc(N)c(n2)Br	408
+c1cc(ccc1)-c2c(n3-c4cccnc4Nc5ccccc5-c3n2)Br	984
+c1ccccc1-c2nc3c(ccc(CBr)c3)o2	29
+c1ccccc1-c2ccc(cn2)-c3n(c(Br)nn3)-c4ccccc4Br	3647
+c1ccccc1-c2c3cc(CBr)ccc3no2	29
+c1ccccc1-c2nc3c(s2)cccc3CBr	223
+c1cc(ccc1C(=O)c2ccccc2)CBr	29
+c1cc(ccc1)C(CCBr)c2cccc(OC)c2	552
+c1ccccc1C=2C(N(c3c(nc(c(c3C=2)O)C(OC)=O)Br)CC4CCCCC4)=O	408
+c1ccccc1CC=2C(=O)N(Cc3ccccc3)c4c(nc(C(=O)OC)c(c4C=2)O)Br	408
+c1cc(ccc1)C2=Cc3c(c(C(=O)OC)nc(Br)c3N(Cc4ccccc4)C2=O)O	408
+c1ccccc1CNC(c2sc(Br)cc2C)=O	407
+c1ccccc1CNC(c2oc(Br)cc2C)=O	1314
+c1ccccc1CNC2=C(C(=O)N(C=C2)Cc3cccc(c3)F)Br	6219
+c1ccccc1COC(N2C(c3n4c(c(Cl)ncc4)c(Br)n3)CCC2)=O	794
+c1ccccc1COC(=O)N2C(C#N)CC(CC2)c3nc(Br)c4c(Cl)nccn34	794
+c1ccccc1COc2c(CC)cc(Br)c(c2)OC	38
+C1CCC(C1)c2c(Br)ccc(OCc3ccccc3)c2	38
+c1ccccc1COc2ccc3c(c(nc(Br)c3c2)C(=O)OCC)O	408
+c1ccccc1COc2cc(C(C)C)c(cc2)Br	38
+c1cc(ccc1)N2N(C(=C(C2=O)C(=O)OC)CBr)C	1093
+c1ccccc1N2C=C(CBr)C(c3c2cc(cc3)Cl)=O	6220
+c1cc(ccc1Nc2c(cc3c([nH]cn3)c2F)C(OC)=O)Br	38
+c1cc(ccc1Br)Nc2c(cc3[nH]cnc3c2Cl)C(=O)OC	38
+C1CC1C(=O)N2c3c(CCC2C)c(Oc4ccccc4)c(cc3)-n5ncc(Br)c5	875
+c1cc(ccc1)Oc2ccc(c(C)c2)Br	38
+c1cc(ccc1)Oc2cccc(CBr)c2OC	29
+O=S(=O)(c1ccccc1)n2c(CBr)c(C(=O)OC)c3c2ncc(Br)c3	299
+c1cc(ccc1)S(=O)(=O)n2cc(Br)c3cc(cnc23)-c4cnn(C)c4	1978
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3ccc(c(CBr)c3)Cl	29
+c12c([N+]([O-])=O)cccc1n(CC)cc2Br	986
+C(c1ccc(-c2occn2)cc1Cl)Br	29
+C(c1nccs1)N2C(C(Br)=CC(C(=O)OC)=C2C)=O	3644
+n1cccnc1-c2c(N)ncc(Br)c2	203
+c1nn(C)c2CCCC(c3n4ccnc(Cl)c4c(Br)n3)c12	794
+n1cn(C)c(Br)c1-c2cc(C#N)ccn2	984
+Cc1nc2n(c1Br)ccnc2Cl	973
+n1c(C#N)cn2c(cnc2c1SC)Br	973
+c1(C)nc(nc(C)c1Br)O	1583
+CCc1c(O)nc(C)c(Br)c1	203
+n1c(Cl)c(c(nc1Br)Cl)N	6221
+c1c(c2c(cc1F)nc(c(OC)n2)OC)CBr	223
+o1c(Br)ccc1-c2nc(cc(Cl)n2)-n3nccc3	1314
+Nc1ncc(C(=O)OC)nc1Br	439
+[N+](c1cc(Br)c2c(cccn2)c1)([O-])=O	6222
+n1c2c(n(c1-c3cc(Br)cnc3N)-c4cccc(c4F)F)ccnc2	203
+n1c2cccc(C(=O)OC)c2oc1-c3cc(Br)cnc3N	203
+c12c(c3c(cccc3)c(n1)CBr)cccc2	299
+n1cc(N)nc(-c2cc(F)ccc2)c1Br	439
+n1c(ccc(CBr)c1)F	223
+c1(Cl)nc(NC(COC)C)cnc1Br	439
+c1nc(ncc1)-c2cccc(c2)CBr	29
+n1n(c(nn1)-c2cc(Br)cnc2N)-c3cccc(c3F)F	203
+n1sc2c(c1-c3cc(CBr)ccc3)ncnc2O	29
+n1c(-c2nc(cnc2N)Br)oc3c1cncc3	439
+o1c(ncc1CBr)C(OCC)=O	3652
+c12c(cc(C#N)cc1)c3c(o2)c(c(O)c(F)c3)Br	6223
+o1c2c(c(c(cc2)Br)O)c(C)c1C(=O)OCC	38
+s1c(-c2ncc(CBr)cc2)nc3ccccc13	223
+c1(Br)sc2c(ccs2)c1C	407
+c1(Br)cnc(s1)-c2cc(c(F)cc2)C#N	617
+CC(C)C(C(=O)NC(C)C(O)=O)NC(=O)OCC=C	2445
+CC(C)(C)OC(=O)NOCCCCNC(COc1ccc2C(=CC(Oc2c1)=O)C)=O	1280
+c1(ccccc1Cl)-c2cc(OC)cc3N(c4c(ccc(C(=O)OC)c4)C)C(=O)CCc23	11
+C1CN(CCN1CC)Cc2c(C)cc(C(NC3C4c5c(ccc(Oc6ccnc7NC(CCc67)=O)c5)OC34)=O)cc2	14
+C1CN(CCN1Cc2ccc3ccccc3n2)CCCOc4ccc(C)c5NC(=O)CCc45	72
+C1CCCCC1c2cc(c(C(=O)CCC(O)=O)cc2)OC	882
+C1CN(CCN1C(CCC(O)=O)=O)c2nc(c([N+](=O)[O-])c(n2)N3CCS(CC3)=O)OCC	6224
+C(C(c1cc2CCOc2cc1)=O)CC(=O)O	882
+CC(C)(C)NC(CCC(O)=O)=O	2439
+CC(C)(C)OC(N1CCN(CC1)CCOC(=O)CCC(O)=O)=O	996
+CC(C)=CCCC(CCOC(=O)CCC(O)=O)C	996
+C1(=O)CCC(=O)N1CP(=O)(OC)CC(CC(C)C)C(NC(C(NC)=O)CC(C)C)=O	3566
+CN(C)CC(OCCCCCCCCC=CCC=CCCCCC)COC(CCC(O)=O)=O	996
+c1c(NC(CCC(=O)O)=O)c(c(C)cc1)C	1979
+c1c(c2c(cccc2)cc1)NC(CCC(=O)O)=O	1979
+O=S(=O)(N)c1c(cc(NCc2occc2)c(C(OCCCOC(CCC(=O)O)=O)=O)c1)Cl	996
+c1(F)cccc(F)c1Nc2n(c3c(n2)cnc(NC4CCC(CC4)OC(=O)CCC(=O)O)n3)C5CCCC5	996
+c1c(cc(c(OC)c1)OC)C(=O)CCC(O)=O	882
+C(C(c1cc(CC)c(cc1)OC)=O)CC(=O)O	882
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+C1CC(Cc2[nH]c3c(c12)c(ccc3C(=O)N)Br)C(N(OC)C)=O	164
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+c1c2NC(C(CCc2c3ccccc3c1)N)=O	1584
+C12CC(CCC1(C)C3C(O)CC4(C(CCC4C3CC2)C(O)=O)C)O	100
+C1CC(C(OCC)=O)Cc2sc3ncnc(c3c12)Nc4cc5c[nH]nc5cc4	1500
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+C1CC(CCC1(C)C)CNCc2ccccc2	110
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+c12CCC3C4CCC(C4(C)CCC3c1ccc(OC)c2)=C	297
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+C1CC(CCC1(C)C)c2sc3nc(nc(c3c2)CO)C	194
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+C1CC(CCC1(C)C)c2cc3c(nc(C)nc3s2)C(=O)N4CCC(CC4)(O)C	147
+C1CC(CCC1c2cc3c(nc(nc3Cl)C)s2)(C)C	779
+C1CC(CCC1O)(C)O	100
+C1CC(CCC12CC(NC2)=O)C(OCC)=O	1980
+C1CC(CCC1(F)CO)(C#N)NC(=O)OCc2ccccc2	101
+C1CC(CCC1(CO)F)(N)C#N	661
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+C1CC(CCC1(F)F)NC(c2nn(-c3c(Cl)cc(cc3)Cl)c(-c4ccc(cc4)OCc5ccccc5)c2C)=O	81
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-n2c(nc(C(NC3CCC(CC3)(F)F)=O)c2C)-c4c(Cl)cc(cc4)Cl	154
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+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c2c(C)c(C(NC3CCC(CC3)(F)F)=O)nn2-c4c(Cl)cc(cc4)Cl	154
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+FC(F)(F)c1cc2CN(CCc2cc1)C(C3(CC(NC4CCC(CC4)(c5cncs5)O)CC3)C(C)C)=O	87
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+CC(C)[Si](C(C)C)(C(C)C)OCC1(CCCCC1)N	19
+c1ccccc1CN(Cc2ccccc2)c3nc(C)c(c(NCC4(CCCCC4)O)c3[N+](=O)[O-])C	43
+C1CC(CCC1)(O)Cn2c3c(c(nc4cccnc34)N)nc2CCC	461
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+C1CC(CCC1)(N=[N+]=[N-])c2cc(C(C)C)ccc2	6235
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+C1CC2(CCC1)ON=C(c3cnc4c(c3NC5CC5)cnn4CC)C2	6236
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+C1CC(CCC1)CCCCCCO	1101
+C1CCCCC1C#Cc2cc(cnc2N)Br	2341
+C1CC(CCC1)c2cc3c(ccc(c3)[N+]([O-])=O)n2S(=O)(=O)C	3231
+C1CCCCC1C#Cc2nc(Br)cnc2N	3665
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+C1CC(CCC1)C(n2c3c(cc(c(F)c3)F)nc2-c4ccc(cc4)Cl)C(=O)OCC	6238
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+C1CCCCC1C(C2CCCCC2)CC(=O)NCC(OC(C)(C)C)=O	726
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+c1cc(ccn1)OCC(C2CCCCC2)n3c4c(nc3-c5ccc(cc5)Cl)cc(c(c4)F)F	8
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+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(-c3ccccc3)nc4c(cc(F)cc4)c2C(=O)NC(C5CCCCC5)C	619
+c1cc(ccc1)-c2nc3cc(Cl)ccc3c(C(NC(C)C4CCCCC4)=O)c2CN5CCC(CC5)N6CCCCC6	619
+C1CC(CCC1)C(NCCc2c3cc(C(=O)Cl)ccc3sc2)=O	82
+C1CC(CCC1)C(NCCc2c3c(sc2)ccc(c3)C(=O)O)=O	1144
+C1CC(CCC1)C(NCCc2c3cc(C=O)ccc3sc2)=O	674
+C1CC(CCC1)C(c2c(CC)sc(C3CCOCC3)c2)Nc4ccc(cc4)C(NCCC(=O)OCC)=O	14
+c1cc(ccc1)C(O)(C(O)=O)C2CCCCC2	4
+C1CC(CCC1)C(=O)CC#N	1982
+C1CC(CCC1)C(Nc2ccc(cc2)C(O)=O)c3c(CC)sc(C4CCOCC4)c3	1
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+C1COCCC1c2cc(C(Cl)C3CCCCC3)c(s2)CC	6240
+C1CCCCC1C(c2n(-c3ccc(cc3)Cl)nc4CCCCCc24)C(O)=O	3
+c1cc(ccc1Cl)-n2c(C(C3CCCCC3)COc4c(cc(cc4C)C(OC)=O)C)c5ccccc5n2	20
+c1ccccc1COc2ccc3c(c2)c(c(C(Cl)C4CCCCC4)o3)C	6241
+c1cc(ccc1-c2n(C(C(=O)Nc3ccc(OC4(CC4)C(OC)=O)cc3F)C5CCCCC5)c6c(cc(F)c(F)c6)n2)Cl	1294
+FC(F)(F)c1cc(C#N)ccc1NC(=O)C(C2CCCCC2)n3c(nc4cc(F)c(F)cc34)-c5ccc(cc5)Cl	33
+c1cc(ccc1-c2nc3cc(F)c(cc3n2C(C(Nc4c(cc(cc4F)C(=O)OC)F)=O)C5CCCCC5)F)Cl	1294
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+c1cc(ccc1Cl)-c2nc3c(cc(c(F)c3)F)n2C(CO)C4CCCCC4	44
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+CC(C)(C)OC(NCCN(CC1CCCCC1)S(=O)(=O)c2ccccn2)=O	831
+C1C2CN(CC2CC1(C#N)CC3CCCCC3)C(N(C)C)=O	2455
+C1CC(CCC1)Cn2c3c(cc2)cccc3OC	339
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+C1CC(CCC1)COc2cccnc2N	458
+C1CCCCC1CN2CCCCC2=O	638
+C1CC(CCC1)COc2c(ncc(C)c2)[N+](=O)[O-]	458
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+C1CCCCC1Cc2cn(C3C4OCC(N=[N+]=[N-])C4OC3)nn2	642
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+C1CC(CCC1)CC(=O)Nc2c(ccc3nc(N4CCC(C4)NCCC(O)=O)ccc23)Cl	479
+CC(C)(C)OC(=O)CCCNc1nc2ccc(Cl)c(c2cc1)NC(=O)CC3CCCCC3	554
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+C1CC(CCC1)CC2OC(C=C2O)=O	3668
+C1CC(CCC1)CCCC(CC(NO)=O)c2nc(no2)C(N3CC(C3)C(=O)O)=O	4
+C1CC(CCC1)CCCC(CC(NO)=O)c2nc(no2)C(=O)N3CC(C3)N(C)C	3669
+C[Si](C)(C)ONC(=O)CC(c1onc(n1)C(N2CC(C2)C(OC)=O)=O)CCCC3CCCCC3	293
+CCOP(OCC)(CCCCCCCCCCCCC1CCCCC1)=O	1586
+C1CC(CCC1)CCCCCCCCCCCCOCC2CO2	649
+C1CC(CCC1)CCCCCCCCCCCCO	168
+O=S(=O)(OCC(COCCCCCCCCCCCCC1CCCCC1)OC)C	7
+c1cc(ccc1)COCC(COCCCCCCCCCCCCC2CCCCC2)O	850
+C1CC(CCC1)CCCCCCCCCCCCP(O)(O)=O	228
+C1CCCCC1CCC=O	24
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+C1CCCCC1CN(CC)c2nc3c(cc2CO)ccc(c3)F	269
+C1CCCCC1CN2C(C(=CC(C(OC)=O)=C2CN(S(=O)(=O)c3ccc(cc3)C)CC(=O)OC)Br)=O	3551
+C1CCCCC1CN2C(C(O)=O)CC(NC(=O)c3c(O)c4c(cccc4)cc3)C2	4
+C1CC(CCC1)CN2C(C(=O)NCCC)CC(NC(=O)c3c(O)c4c(cccc4)cc3)C2	248
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+C1CN(CCN1CCC2=NNC(=O)N2CC3CCCCC3)c4cc(ccc4)NC(C)=O	26
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+C1CN(CCN1c2cc(ccc2)[N+](=O)[O-])CCC(NNC(=O)NCC3CCCCC3)=O	1829
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+C1CC(CCC1)Cn2c3c(c(-c4nc(C)c(CO)s4)c2)cccc3OC	1503
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+C1CCCCC1N2C(C(C(=O)NCC(O)=O)C(=O)N(C3CCCC3)C2=O)=O	3
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+FC1(F)CN(c2c(cnc(Cl)n2)N(C1=O)C)C3CCCCC3	998
+C1CC(CCN1C)NC(=O)c2cc(F)c(cc2)Nc3nc4N(C5CCCCC5)CC6(CC6)C(=O)N(C)c4cn3	55
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+C1CCC(C1)N2C(=O)N(C(CC2=O)=O)C3CCCCC3	1984
+CC(C)(C)[Si](C)(C)OC1C2C(C(CO2)NC(NC3CCCCC3)=O)OC1	588
+CC(C)(C)c1ccc(cc1)CN2C(CC(=O)N(C3CCCCC3)C2=O)=O	1984
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+FC(F)(F)S(=O)(=O)OC1COC2C(NC(NC3CCCCC3)=O)COC12	1932
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+C1CCCCC1NC(=O)c2ccc(Cl)nc2OCCc3ccc(cc3)F	91
+C1CC(CCC1)N2c3c(ccc(c3)I)C(C(C(=O)OCC)=C2)=O	6259
+O(C)C(OC)CN(C1CCCCC1)C(CCOCCc2cc(Br)ccc2)=O	10
+FC(F)(F)C(F)(F)C1=NN(C2CCCCC2)C(c3cccc(-c4ccc(cc4)SC)c3)C1	6260
+C1CCCC1N2c3c(cc(F)c(NC4CCCCC4)c3)C(C(Oc5ccc(cc5)C#N)=C2)=O	6261
+C1CC(CCC1)Nc2c(cc(-c3[nH]nnn3)cc2)N	0
+C1CC(CCC1)N2C(C(=O)Nc3cc(Cl)ccc23)=O	2548
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+C1CCCCC1Nc2c3c(n(C4OCCCC4)cn3)nc(Cl)n2	3673
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+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1c2ccc(c(Cc3ccc(cc3)OCCOC4CCCCC4)c2)Cl)CO[Si](C)(C)C	6263
+C1CC(CCC1)ON=C(c2nc(N)sc2)C(=O)OCC	1145
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(=O)C(=NOC4CCCCC4)c5nc(NC=O)sc5)=O	471
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+C1CC(CCC1)Oc2c(cc(-c3cc(Cl)nnc3CCCC)cc2)Br	218
+C1CC(CCC1)Oc2ccccc2NS(=O)(=O)C	80
+C1CCCCC1Oc2cc(ccc2NS(=O)(=O)C)[N+](=O)[O-]	77
+C1CC(CCC1)SC(=O)CCC(F)(F)Cl	6265
+C1CCCCC1Sc2c(cccc2)C=O	411
+FC1(F)CCC(CC1)C(O)C2CCCCC2	6266
+C1CC(CCC1)c2[nH]c3c(nc(cn3)-c4ccc(cc4C)S(=O)(=O)N(C)C)c2	6267
+C1CC(CCC1)c2ccc(cc2C#N)CO	88
+CC(C)(C)OC(N1CCC(CC1)OC(Nc2ccccc2C3CCCCC3)=O)=O	589
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+C1CC(CCC1)c2c3ccc(C(=O)NS(=O)(=O)C4CC4)cc3n5CC(C(=O)OC)=Cc6cc(OC)ccc6-c25	258
+CC(C)(C)OC(=O)NCCC(=O)N(C1Cn2c3cc(C(OC)=O)ccc3c(c2-c4ccccc4OC1)C5CCCCC5)C	10
+C1CC(CCC1)c2c-3n(c4cc(C(OC)=O)ccc24)CC(N(CCCN)C)COc5c-3cccc5	15
+C1CC(CCC1)c2c3ccc(C(=O)OC)cc3n(CCC(OC)=O)c2-c4ccccc4CNCCN(C)C	42
+CN(C)CCN1C(CCn2c(c(c3ccc(C(=O)OC)cc23)C4CCCCC4)-c5ccccc5C1)=O	10
+C1CC(CCC1)c2c3ccc(C(=O)NS(=O)(=O)C4CC4)cc3n5c2-c6ccc(cc6C=C(C(O)=O)C5)OC	127
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+C1CC(CCC1)c2c([nH]c3c2ccc(C(OC)=O)c3)-c4ccccc4CCO	168
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+C1CCCCC1c2ccc(O)c(C(O)=O)c2	6269
+C1CC(CCC1)c2cc(c(cc2)OCCCOc3cc(C(C(OCC)=O)O)ccc3)CCC	8
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+C1CC(CCC1)c2cc(c(cc2)OCCCOc3cc(ccc3)C(C(=O)OCC)Cl)CCC	6270
+C1CCCCC1c2[nH]c3c(cc([N+](=O)[O-])cc3)c2	2550
+C1CC(CCC1)c2cc(c(CC(=O)OC)cc2)OC	27
+C1CC(CCC1)c2ccc(cc2)C(CCC(O)=O)=O	3
+C1CC(CCC1)c2ccc(cc2)CCCC(=O)O	165
+C1CC(CCC1)c2ccc3c(C(CCC3)=O)c2	214
+CC(C)(C)OC(N(Cc1ccc(cc1)C(OC)=O)c2ccc(cc2)C3CCCCC3)=O	603
+C1CCCCC1c2ccc(O)c(C(C)=O)c2	214
+C1CC(CCC1)c2ccc(cc2C#N)COc3ccc4c(c5CCC(c5[nH]4)CC(OCC)=O)c3	139
+C1CC(CCC1)c2ccc(cc2C#N)CCl	109
+C1CC(CCC1)c2ccc(cc2C#N)COc3ccc4c(c5c(C(CC(=O)O)CC5)[nH]4)c3	3
+C1CC(CCC1)c2cc3C(=O)C(C(=O)OC)CCc3cc2	1985
+C1CC(CCC1)c2n(CC)c3ccc(N)cc3c2	0
+C1CCCCC1c2n(cc(C)n2)-c3cc(-n4c(C5CCCCC5)nc(C)c4)ccc3[N+](=O)[O-]	431
+C1CCCCC1c2sc(nn2)NC(=O)N(C)N	2551
+C1CCCCC1c2nc(C)c(C(=O)OCCC(C)=C(F)F)s2	1986
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c2nc3cc(C#N)ccc3n2C4CCCCC4	154
+C1CC(CCC12C(C(c3cc(ccc3)C)=C(c4cn5ncnc5cc4)O2)=O)N=[N+]=[N-]	6271
+O=S(=O)(NC1CCC2(CC1)C(C(c3cc(ccc3)C)=C(c4cn5ncnc5cc4)O2)=O)C	111
+CC(C)(C)S(=O)N=C1c2cc(c(cc2CC13CCC(CC3)OC)F)Br	2552
+C1CC(CCC12C(=O)C(c3cc(ccc3)C)=C(c4cn5ncnc5cc4)O2)N	18
+c1cc(ccc1)N2CC3(CCC(CC3)C(OCC)=O)CC2=O	883
+C1CC(CCC12CC2)COc3c(C(=O)OCC=C)cnc(n3)C#N	738
+C1CC(CCC12CC2)COc3nc(ncc3C(=O)O)C#N	6272
+C1CC2(CCC1O)Cc3ccc(cc3C2=O)OCCCF	100
+CC(C)(C)OC(=O)c1c(F)cc(OCC2(CCC3(CC2)OCCO3)C)c(Cl)c1	57
+O1CCOC12CCC(CC2)(CC)COS(=O)(=O)c3ccc(cc3)C	36
+C1CC(CCC1=O)(O)c2ccc3c(OCO3)c2	97
+C1CC(CCC12OCCO2)(c3ccc(OCc4ccccc4)cn3)O	483
+C1CC(CCC1=O)(O)c2ncc(cc2)OCc3ccccc3	97
+C1COC2(O1)CCC(CC2)CC#N	3674
+C1CC(CCC1=O)=CCC(C)C	97
+C1COC2(CCC(CC2)(C(=O)OC)CC)O1	3675
+C1CC(CCC1C2CCC(CC2)=O)c3c(cc(cc3)C4CCC(CC4)CCCCC)F	97
+C1CC(CCC1CC(=O)OC)=O	97
+C1CC(CCC1CC(OCC)=O)=O	97
+C1COC2(CCC(CC2)CCO)O1	44
+C1CC(CCC1=O)COc2c(F)cc(cc2)S(=O)(=O)C	97
+C1CC(CCC1=O)N(C(OCc2ccccc2)=O)CC	97
+O1CCOC12CCC(CC2)N(C(C3CCC(CC3)C)=O)c4ccsc4C(OC)=O	1987
+C1CC(CCC1c2ccc(cc2OCOC)OCOC)=O	97
+O1CCOC12CCC(CC2)c3nc(-c4cc(c(C(NCc5ccccc5)=O)cc4)F)c(nc3)N	356
+C1CC(CCC1C=CCCC)C=O	1143
+FC(F)(F)c1ccc(nc1)Nc2cccc(C=C3CCC(CC3)NC(c4cccnc4)=O)c2	201
+C1CC(CCC1(C)C)(c2ccc(cc2)OCc3ccccc3)O	251
+C1CC(CCC1(C)C)=COC	6273
+FC(F)(F)c1cc(C(NCC(NC2CN(C2)C3CCC(CC3)(c4cc5OCOc5cc4)O)=O)=O)ccc1	85
+CC(C)(C)OC(=O)N1CCN(CC1)C2CCC(CC2)(Cc3ccccc3C)OC	85
+C1CC(CCC1(c2cc(ccc2F)F)C#N)O	100
+C1CC2(CCC1(c3ccc(cc3)Br)C(=O)OC)OCCO2	381
+c1cc(ccc1F)C2(CCC(CC2)=O)C(O)=O	1588
+FC(F)(F)c1cc(C(NCC(NC2CN(C2)C3CCC(CC3)(O)c4ccc(nc4)F)=O)=O)ccc1	85
+C1CC(CCC12SCC(C(=O)O)N2)=CCC(C)C	6274
+CN(C)C1(CCC(CC1)C(Cc2ccccc2)OC(OCC)C)C#N	735
+C1CC(CCC1=O)C(Cc2ccccc2)OC(OCC)C	3399
+C1CC(CCC1NC2CC2)C(OCC)=O	87
+C1CC(CCC1C(OCC)=O)=CC(=O)OCC	3676
+C1CC(CCC1(O)C=C)C(OCC)=O	6275
+C1(C)CC(CCC1=O)C(OCC)=O	6276
+O1CCOC12CCC(CC2)C(OCC)=O	381
+C1CC(CCC1(c2c(cc(Br)cc2)C)O)C(=O)OCC	3677
+C1CC(CCC1C=C)(O)c2ccc(c(c2F)F)OCC	251
+C1CC(CCC1=COC)C=CCCC	2553
+c1ccccc1C(NC(=O)CC2CCC(CC2)=O)C	9
+CC(C)(C)[Si](C)(C)OC=1CCC(COc2ccc(S(=O)(=O)C)cc2F)CC=1	3678
+C1CC(CCC1N(C)C)(O)c2cccc(Br)c2F	1589
+C1CC(CCC1N(C)C)(c2cc(cc(F)c2)Br)O	251
+CC(C)C(NC1Cc2c3cc(ccc3[nH]c2CC1)OC)=O	518
+C1CC(CCC1O)Oc2cc3CCC(Oc3cc2)c4ccccc4	100
+C1CC(CCC1CCCCC)c2ccc(C3(CCC(CC3)c4c(c(c(cc4)OCC)F)F)O)c(F)c2F	1589
+CC(C)[Si](C(C)C)(C(C)C)OC1=CCC(CC1)c2c(cc(c(F)c2)F)F	3678
+C1CC(CCC1c2nc(ccc2F)C(OC)=O)O	100
+CC(C)(C)C#Cc1sc(c(c1)NC2CCC(CC2)n3nncc3)C(=O)OC	2554
+C1CC(CCC1N(c2ccc(nn2)Cl)C)C#CCO	212
+C1CC(CCC1C2=NC(=O)ON2)C(OC)=O	1988
+C1CC(CCC1CCC)C(CC(OCC)=O)=O	6277
+C1CC(CCC1C(=O)OCCCC)C(O)(C)c2sccn2	3679
+BrC(Br)=CC1CCC(CC1)C(OCC2(COC2)CCC)=O	204
+FC(F)(F)c1ccc2c(C(CC(N2C(=O)C3CCC(CC3)CC(=O)OCC)CC)NC(=O)OCc4ccccc4)c1	192
+C1CC(CCC1C(C)=O)CN2Cc3c(C2=O)c(c(cc3)O)F	591
+C1CC(CCC1C(=O)C)OCc2ccccc2	2555
+C1CC(CCC1CN2C(N(c3ccccc3C2=O)C)=O)C(=O)N4CCN(CC4)C(CCC)=O	58
+CC(C)NC(=O)C1CCC(CC1)Nc2cc(Cl)ncc2[N+](=O)[O-]	105
+c1ccccc1COC(=O)N(CCOC)C2CCC(CC2)C(NCc3nccnc3Cl)=O	613
+C1CC(CCC1C(NCC)=O)CC(=O)OCC	9
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)C(=O)O)ccc(Br)c1	71
+C1CC(CCC1C(=O)O)CNC(OCc2ccccc2)=O	101
+FC(F)(F)c1cc(ccc1)C(=O)CNC(=O)C2CCC(CC2)CNC(=O)OCc3ccccc3	612
+C1CC(CCC1CNC(=O)OCc2ccccc2)C(NCc3nccnc3Cl)=O	9
+C1CC(CCC1CO)C(=O)OC	27
+C1CC(CCC1C(OCc2ccccc2)=O)CO	283
+C1CC(CCC1NC(c2cc(cnc2C)Cl)=O)CO	21
+C1CC(CCC1Nc2nc(c(C)cn2)N(C)C)C(=O)NC(C)c3ccc(cc3)C	9
+C1CC(CCC1C(=O)N2CCC(CC2)N(C)C)Nc3nc(ccn3)-n4ccc5c4cccc5OCCCS(=O)(=O)C	10
+C1CCCN(CC1)c2nc(nc(NC)n2)NC3CCC(CC3)C(O)=O	387
+C1CC(CCC1CN2c3cc(c(cc3N(C)C2=O)F)OC)C(=O)O	4
+C1CC(CCC1C(=O)OC)CNc2cc(OC)c(cc2N)F	0
+C1CC(CCC1CN2c3c(cc(c(OC)c3)F)NC2=O)C(=O)OC	1989
+C1CC(CCC1Cc2c(F)cccc2)C(=O)O	4
+C1CC(CCC1C(=O)O)NC(c2cc(cnc2C)Cl)=O	4
+C1CC(CCC1COC)NC(c2cc(cnc2C)Cl)=O	21
+c1cc(ccc1)[Si](c2ccccc2)(OCCOC3CCC(CC3)C(=O)OC)C(C)(C)C	328
+CC(C)(O)c1c2ncc(-c3ccnc(NC4CCC(CC4)C(=O)OCC)n3)n2ccc1	306
+C1CC(CCC1C(=O)OCC)Nc2nc(c(C)cn2)N(C)C	96
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+C1CC(CCC1C(=O)OCC)Nc2nccc(-n3ccc4c3cccc4Br)n2	306
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+FC(F)(F)C(=O)N1CCC(CC1)=O	520
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+c1ccccc1-c2[nH]c3ccccc3c2C=4CCNCC=4	888
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+c1nc(ncc1F)NCC2CCN(CC2)C(C3C(c4ccccc4)C3)=O	10
+C1CCCN1CCOCC2CCN(CC2)c3c4c(scc4-c5c(OC)cccc5)nc(n3)C6CC6	1570
+C1CCN(C1)CCOCC2CCN(CC2)c3ncc4c(c(Br)sc4n3)-c5ccccc5	117
+FC(F)(F)CN1CCC(CC1)COc2c(cc(c(F)c2)C(=O)OC)C3CC3	2532
+C1CN(CCC1COc2c(cc(c(F)c2)C(=O)OC)C3CC3)S(=O)(=O)C	112
+C1CC(CCN1CC2(CCOCC2)O)COc3c4c(OC5CCOC5)cccc4on3	170
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+CC(C)(C)OC(=O)NC1CCC(CC1)CCC(N2CCC(CC2)Cc3c(ccc(OC)c3)Br)=O	10
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+CC(C)(C)OC(=O)NC1CC(CN2CCC(CC2)Cc3ccccc3)CC1	236
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+C1COCCN1c2c3c(cc(CN4CCC(CC4)Cn5ccnc5C)s3)nc(Cl)n2	509
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+C1CN(CCC1F)c2ccn3c(n2)nc4ccccc34	3698
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+CC(C)(C)OC(=O)N1CCC(CC1)N2c3ccccc3NC2=O	23
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+c1cc(ccc1Cc2ccccc2OCCCN3CCC(CC3)N4c5ccccc5NC4=O)C(N(CC)CC)=O	28
+c1ccccc1CN(Cc2ccccc2)CCCCN3CCC(CC3)N4c5ccccc5NC4=O	61
+C1CC(CCN1CCCCn2cnc3c2cccc3)N4c5c(cccc5)NC4=O	53
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+FC(F)(F)c1ccc(cc1)-n2cc(cc2)CN3CCC(CC3)NC(CSc4cccc(Cl)c4)=O	565
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+FC(F)(F)C(=O)N1CCC(CC1)c2ccc(cc2)[N+]([O-])=O	520
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+C1CC(CCN1C)c2ccc(cn2)Nc3nc(c(cn3)C)CCc4ccccc4CC(=O)N	113
+CC(C)(C)OC(N1C(C)(C)CCC1C(c2ccc(cc2)Cl)C(=O)N3CCC(CC3)c4c5C(C)CCc5ncn4)=O	10
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+C1CC(CCN1c2nc(C(C)C)no2)C3CC3CCO	880
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+C1CN(CCC1CCCO)c2onc(n2)CCC	880
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+C1CNCCC1N2CCc3c2cccc3	215
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+C1CNCCC1CN2CCCc3cc(-c4cn(C5CCCCO5)nc4)ccc23	62
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+C1CC(CCN1)Cn2ccc3nc(ccc23)-c4cn(nc4)C5CCCCO5	62
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+c1cc(ccc1C2CCN(CC2)C(=O)c3cc(c(C)cc3)N)-c4cnn(c4)C	320
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+C1CC(CCN1CC23c4c(cccc4)C(c5ccccc25)C3)O	15
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+C1CN(CCN1c2ccc(NC(c3cc(C#N)c[nH]3)=O)c(N4CCC(CC4)C)n2)C	510
+C1CN(CCC1C)c2c(ncn2-c3c(F)cc(cc3F)F)Cl	6333
+C1CN(CCC1Oc2ccc(F)cc2F)c3c(nc4c(n3)ccnc4)NC5COCC5	1284
+C1CN(CCC1Oc2ccc(F)cc2F)c3c(NC4CC(C4)(F)F)nc5c(ccnc5)n3	1284
+C1CN(CCC1(NC(C)=O)C)c2c3c(ccc2)OCCO3	6334
+C1CN(CCC1C(=O)O)c2c3c(n(C)cc3C=O)ncc2	3
+c1cc(ccc1-c2c3cnccc3c(N4CCC(CC4)C(NCC(C)C)=O)nc2-c5ccnc(Cl)c5)F	1151
+C1CC(CCN1c2nc(Cl)nc(C(O)=O)c2)c3n[nH]c4ncccc34	1
+C1CCCCC1Nc2c3c(nc(Nc4ccc(N5CCC(CC5)N6CC(CCC6)O)cc4OC)n2)nc[nH]3	3704
+C1CN(CCC1C)c2cc(C(=O)Nc3ccc(OCC#N)c4ccccc34)cc(c2)F	67
+CC1(C)OB(OC1(C)C)c2cc(N3CCC(CC3)N(C)C(C)=O)ccc2	17
+C1CN(CCC1NC(=O)c2[nH]c(c(c2Cl)Cl)C#N)c3cc(nc4ccccc34)C(OC)=O	1938
+CC(C)COC(=O)N(C1CN(C(C2CCN(CC2)c3ccc(C#N)cn3)=O)CC1c4ccc(cc4)Cl)C	66
+CC(C)(C)OC(=O)N(C)C1C(c2ccc(cc2)Cl)CN(C1)C(C3CCN(CC3)c4ccc(C#N)cn4)=O	10
+c1cc(ccc1Cl)C2CN(CCC2C(Nc3ncc(cc3)C#N)C)C(C4CCN(CC4)c5ccc(cn5)C#N)=O	10
+C1CN(CCC1=CCO)c2ccc(Cl)c(c2)OC	2569
+C1CC(CCN1c2cc(OC)c(Nc3nc(c4c(n(C5OCCCC5)cn4)n3)NC6CCCCC6)cc2)N7CCCC(C7)O	55
+C1CC(CCN1c2ccc(N)c(OC)c2)N3CC(CCC3)O	0
+C1CC(CCN1c2cc(c([N+](=O)[O-])cc2)OC)=O	86
+c1cc(ccc1C(NNC(=O)c2ccc(cc2)C(=O)OC)=O)N3CCC(CC3)(OC)CCCC	1601
+C1CC(CCN1c2ccc(cc2)C(=O)NN)(CCCC)OC	1094
+c1cc(ccc1N2CCC(CC2)(OC)Cc3c(F)cccc3)C(N)=O	1602
+C1CN(CCC1NCC(O)COc2cccc3NC(Nc23)=O)c4ccc(cc4)NS(=O)(=O)c5ccc(cc5)NC(C)=O	87
+C1CN(CCC1NCCCc2ccccc2)c3ccc(cc3)OC	15
+CN(C)C(C1CCN(CC1)c2cccc(c2)Br)=O	10
+C1CC(CCN1c2cccc(c2)Br)C(=O)O	3
+C1CC(CCN1c2c3OCCOc3ccc2)(C)O	736
+c1cc(ccc1)C2CCN(CC2)c3ccn4c(c3C#N)nnc4	2570
+C1CC(CCN1c2ccnc3ccc(F)cc23)C(CC)C(=O)O	3
+c1cc(ccc1Cl)NC(=O)C(C2CCN(CC2)c3ccnc4ccc(F)cc34)CC	33
+C1CC(CCN1c2cnccc2)=NN3CCN(CC3=O)S(=O)(=O)c4ccc5c(c4)ccc(c5)Cl	6335
+CC(C)NC(=O)C1CCN(CC1)c2nc(-c3cc(ncc3)Cl)cc4c2ccnc4	9
+c1cc(ccc1OCCC2C(C3CCN(CC3)c4onc(C(C)C)n4)C2)CC(=O)OC	20
+C1CN(CCC1CCCOc2cc(C)c(Br)cc2)c3nc(no3)C(C)C	126
+C1CN(CCC1CCCOS(=O)(=O)C)c2nc(C(C)C)no2	7
+C1CN(CCC1CCCOc2ccc(S(=O)(=O)C)c(F)c2)c3nc(no3)C(C)C	20
+O=S(=O)(c1cnc(cc1)OCCCC2CCN(CC2)c3nc(no3)C(C)C)C	430
+C1CN(CCC1CCCOc2cc(C)c(Br)cn2)c3nc(C(C)C)no3	91
+C1CN(CCC1CCCOc2cnc(C(OC)=O)cc2)c3nc(no3)C(C)C	981
+C1CC(CCN1c2nc(no2)C(C)C)n3c4cc(F)c(Br)cc4cc3	3705
+C1CC(CCN1c2c(ccc(n2)N3CCN(CC3)C(=O)CN4CCOCC4)N)C	13
+O=S(=O)(C)c1ccc(NC(=O)c2cc(Cl)ccc2)c(n1)N3CCC(CC3)CC(=O)OCC	660
+C1CC(CCN1c2cc(C(N)=O)cc(n2)Cl)NC(=O)c3[nH]c(c(Cl)c3)C	81
+C1CC(CCN1c2c(ccc(N3CCN(CC3)C)n2)[N+]([O-])=O)C	43
+C1CC(CCN1c2nc(no2)C(C)C)COc3ccc(-c4c(cc(cc4)S(C)=O)F)nc3	2571
+C1CC(CCN1c2nc(no2)C(C)C)n3ccc4cc(-c5ccc(cc5)S(=O)(=O)C)c(cc34)F	99
+C1CC(CCN1c2nc3c(c(C)c2)cc(cc3)C#Cc4ccc(-c5ccc(cc5)Cl)cn4)C	129
+C1CC(CCN1c2nc3c(cccc3)cc2)CCNC(OCC(N)=O)=O	6336
+CC(C)NC1CCN(CC1)c2nc3ccc(Cl)cc3s2	87
+C1CN(CCC1C(OCC)=O)c2nc3ccc(c(C(=O)NCCc4c(C)cccc4)c3cc2)Cl	14
+C1CC(CCN1c2nc3c(cc(cc3)I)c(C)c2)C	3706
+C1CN(CCC1=O)c2cnc(C)cn2	86
+C1CN(CCC1Nc2nc(ncc2Cl)Nc3cn(C)nc3)c4ncc(cc4)C#N	486
+C1CC(CCN1c2ncc(cn2)CC)n3ccc4c3cc(c(-c5ccc(cc5)-n6cnnn6)c4)F	99
+CC(C)(C)OC(=O)N1CCC(c2cc(c3OC(C4(CCN(CC4)c5ncc(cn5)CCC)O)Cc3c2)F)=CC1	563
+C1CC1NC2CCN(CC2)c3ncc(cn3)Cl	87
+C1CN(CCC1=O)c2cnc(CC)cn2	86
+C1CC(CCN1c2ncccc2)NC(=O)n3cncc3	2483
+CC(C)(C)OC(NC1CCN(CC1)C(=O)NC2CCN(CC2)c3ncccc3)=O	3640
+C1CN(CCC1CCNC(=O)c2cc(ccc2)C(NCC)=O)c3c4sc(cc4ncn3)C(N)=O	14
+C1CCCN1CC2(CCN(CC2)c3ncnc4nc[nH]c34)c5cccc(-c6cnn(C)c6)c5	61
+C1CC(CCN1c2ncncc2)C(N3CCNCC3)=O	25
+C1CN(CCC1C(=O)N2CCN(CC2)C(c3ccc(cc3)C#N)=O)c4ccncn4	115
+C1CC(CCN1c2nnc(-c3cnn(c3)CCOCC)cc2)N4CCc5ccc(cc45)F	338
+C1CC(CCN1c2nnc(-c3c[nH]nc3)cc2)N4CCc5ccc(cc45)F	3707
+C1CC(CCN1c2ccc(nn2)-c3cncc(c3)C(=O)O)Oc4c5ccccc5ncc4	6
+CC(C)(C)OC(NC(c1c(F)cc(OCCC(C)C2CCN(CC2)c3onc(C(C)C)n3)cc1)C(OC)=O)=O	126
+C1CN(CCC1(CC)CCO)c2sc3c(ccc(Cl)c3)n2	95
+C1CN(CCC1(CC)CCOc2cc(CC(OC)=O)ccc2Cl)c3sc4c(ccc(Cl)c4)n3	72
+C1CN(CCC1O)c2scc(n2)CN3CCN(c4c5c(cccn5)cc(C)c4OCCCC(=O)OC)CCC3	3708
+CC(C)c1nc(N2CCC(CC2)N3CCCC3=O)sn1	1553
+C1CC(CCN1c2snc(n2)C)Nc3nn4cccc(-c5cccc(N(C)C)c5)c4n3	1478
+c1cc(ccc1F)-c2c3n(ccc2)nc(n3)NC4CCN(CC4)c5snc(n5)C	1478
+C1CN(CCC1Nc2nn3ccc(Br)cc3n2)c4snc(n4)C	1478
+C1COCCC1(c2ccc(cc2)CCCNC(c3cccc4ccccc34)C)C(=O)O	479
+C1CC(CCO1)(CN)c2nc(-c3ccccc3)cs2	51
+C1COCCC12C(=O)C(=C(O)c3ccccc23)C(OCC)=O	3359
+C1CC(CCO1)(C(=O)OC)c2cc(cc(OCc3ccc4c(cc(NN)nc4c3)Cl)c2)F	2572
+C1CC(CCO1)(C(=O)OC)c2cc(cc(c2)OCc3cc4n5cnnc5cc(Cl)c4cc3)F	6337
+C1COCCC1(c2nc(ccc2)C#N)O	1304
+c1ccccc1-c2nc(C3(CCOCC3)CNC)sc2	1971
+FC(F)(F)c1onc(-c2ccc(C(=O)NCC3(CCOCC3)c4nc(cs4)-c5ccccc5)s2)n1	227
+C1CC(CCO1)(O)Cn2c3c(cnc4ccccc34)nc2COCC	546
+c1cc(ccc1COc2cc(F)cc(C3(CCOCC3)C(=O)OCC)c2)-n4ccnc4C	139
+c1cc(ccc1C2(CCOCC2)C(NCC(O)=O)=O)CCCNC(c3cccc4ccccc34)C	4
+C1COCCC1(c2ccc(cc2)Cl)C(O)=O	459
+C1COCCC1(CC#N)c2ccc(cc2)F	6338
+C1CCN(C1)CCCOc2ccc(cc2)C3(CCOCC3)C=O	24
+C1CC(CCO1)(c2cnc(nc2)C)C(N(OC)C)=O	164
+C1COCCC1(O)c2[n+](cccc2)[O-]	103
+C1COCCC1(c2nc(cs2)C)F	3709
+C1CN(CCN1c2ccc(C(Nc3c4c(n[nH]3)ccc(Cc5cc(F)cc(c5)F)c4)=O)c(NC6CCOCC6)c2)C	231
+C1CC(CCO1)N2CCC3(CC2)C(C3)C(OCC)=O	85
+CC(C)(C)C#Cc1cc(c(C(OC)=O)s1)NC2CCOCC2	2554
+CC(C)(C)OC(=O)NC1CCN(CC1)C2CCOCC2	85
+CC(C)(C)OC(NNC1CCOCC1)=O	3710
+CC(C)(C)[Si](C)(C)OCc1cccc(C2(CCOCC2)O)n1	938
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC3CCOCC3	231
+C1COCCC1NCC	87
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2nccc2nc(c1)C(NC3CCOCC3)C	87
+Cc1cc(cc(C)c1-c2c3n(nc2C)c(NCCNC4CCOCC4)cc(C)n3)Cl	87
+C1CC(CCO1)Nc2c(C)c(cc(Cl)c2)C(=O)OC	231
+FC(F)(F)c1cc(c(c(OC)c1)C(=O)NC2C(NC3CCOCC3)CCC2)SC	87
+C1COCCC1(C#N)N	661
+C1CC(CCO1)Nc2ccc(F)c(C3(NC(COCC3F)=N)C)c2	231
+C1COCCC1Nc2c(Cl)nc(Cl)nc2	6339
+C1CC(CCO1)Nc2c(c(ccc2)C(=O)OC)Br	231
+C1COCCC1=Cc2c(cc(OC)cc2)[N+](=O)[O-]	846
+C1CC2(OCC(CO2)CO)CCO1	1526
+c1cc(ccc1)CSC2(CCOCC2)C[N+](=O)[O-]	6340
+Fc1cc(cc(F)c1)C2(CCOCC2)O	251
+C1COCCC1Nc2c(C(=O)OC)cc(s2)-c3ccc(F)cc3F	6341
+C1COCCC1N(CC)Cc2cc(ccc2-c3ccccc3)C(=O)OCC	85
+c1cc(ccc1)-c2c3cc(Cl)cc(NC4CCOCC4)c3[nH]c2	6342
+C1COCCC1N(C)CCc2ccc3[nH]c(c(c3c2)C(OCc4ccccc4)=O)C	85
+C1CC(CCO1)Nc2ccnn2Cc3ccccc3	1270
+C1COCCC12NC(=O)C(c3ccc(cc3)Cl)N2	6343
+C1COCCC1N2CCN(CC2)C=3N=CN(C(N=3)=O)Cc4ccc(cc4)Cl	85
+C1CNCCN1C(=O)C2CCOCC2	1324
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)N(C)C(C3CCOCC3)=O	192
+C1COCCC1C(Nc2cnc3cc(-c4c(noc4C)C)c(cc3c2NC(C)COC)OC)=O	308
+FC(F)(F)c1cc2N(C(=O)C3CCOCC3)CCc2c(c1)Br	192
+C1CC(CCO1)C(Nc2c(cc(cc2Cl)O)[N+]([O-])=O)=O	26
+C1COCCC1C(O)c2cc3N=CN(C(c3s2)=O)c4ccc(cc4)N5CCN(CCC5)C	2389
+O=S(=O)(C)OC(C1CCOCC1)C	7
+C1COCCC1c2nc3c(c(Cl)cc(O)c3)[nH]2	791
+C1CC(CCO1)C(Nc2c(Cl)cc(cc2N)O)=O	0
+CC(C)(C)OC(Nc1nc(c(NC(C2CCOCC2)=O)cc1)C#Cc3ccccc3)=O	469
+C1COCCC1C(=O)Nc2nnc(cc2)N3CCN(C(=S)Nc4cccc5c4cccn5)C(C(C)C)C3	142
+C1CC(CCO1)C(N)=O	83
+C1CC(CCO1)C(c2ccccc2)n3c4c(c(cc(F)c4F)S(=O)(=O)C)c5c3cc(Br)cn5	6344
+FC(F)(F)c1cc(SC)c(C(=O)NC2(CN(C)CCC2)C3CCOCC3)c(OC)c1	93
+C1COCCC1C2CCN3c4c(CNCC3)cccc24	1603
+C1CN(CCO1)c2nc(Cl)nc3c2nc(CN4CC(C4)C5CCOCC5)cc3	596
+C1CC(CCO1)C2CCN(c3ccccc23)CCN	15
+C1CC(CCO1)CC(c2ccc([nH]2)-c3ccc(cn3)C(C(C)(C)O)O)n4ncc5c(ccnc45)OC	6345
+C1COCCC1CC(c2cc(n(C)n2)SC)C(C=C)=O	1152
+C1CC(CCO1)CC(C(Nc2ncc(C(=O)O)s2)=O)c3ccc(cc3)S(=O)(=O)C	6
+C1CC(CCO1)CC(C(=O)Nc2ncc(C(OCC)=O)s2)c3ccc(cc3)S(=O)(=O)C	373
+C1CC(CCO1)CC(C(=O)CCC(c2ncc(C(C(C)(C)O)O)cc2)=O)n3ncc4c(OC)ccnc34	3711
+C1CC(CCO1)CC(C(C=C)=O)n2ncc3c2nccc3OC	1152
+C1CC(CCO1)CC(C(Nc2sc(C(=O)NC)cn2)=O)c3ccc(cc3)S(=O)(=O)C	454
+C1CC(CCO1)CC(C(=O)N(C)OC)c2nn(C)c(SC)c2	164
+C1CC(CCO1)CC(c2cc(SC)n(C)n2)C(=O)O	4
+C1CC(CCO1)CC(c2ncc(cc2)SC)C(=O)N(OC)C	978
+C1COCCC1CC(C(C=C)=O)c2ncc(cc2)SC	1152
+C1CC(CCO1)CNC(=O)Cc2csc(-c3c(n(C4CCCCC4)nc3)-c5ccc(cc5)F)n2	9
+CC(C)(C)n1c(Br)c(cn1)-c2nc(cs2)CC(NCC3CCOCC3)=O	9
+FC(F)(F)c1ccc(cc1)CON=C(CC)c2ccc(cc2)OCC(NCC3CCOCC3)=O	9
+C1COCCC1CNc2c([N+]([O-])=O)cc(cc2)N(S(=O)(=O)c3ccccc3)C	60
+C1COCCC1CNc2c([N+]([O-])=O)cc(NC(=O)C)cc2	60
+C1CC(CCO1)CNc2c3c(cccc3)nc(Cl)c2[N+](=O)[O-]	105
+C1CC(CCO1)CNC(c2cnc(Cl)c3c2c(ccc3)C)=O	56
+C1COCCC1CNc2n3c(nc(c2)Cl)c(Br)cn3	1005
+C1CC(CCO1)CNc2cncc(Cl)n2	464
+C1CC(CCO1)CNc2c(ncc(Br)n2)N	941
+C1CC(CCO1)CNc2nc(Br)ccc2	182
+C1CC(CCO1)CNc2c([N+]([O-])=O)ccc(Cl)n2	70
+C1CC(CCO1)CNc2c(cnc3ccccc23)[N+](=O)[O-]	105
+C1CC(CCO1)CNc2ccc(F)c(n2)-c3c(Cl)cnc(c3)N	182
+C1CC(CCO1)CNC(c2cnc(-n3ncc(c3OC)C(OCC)=O)cc2)=O	3516
+C1COCCC1CNC(c2ccc(nc2)-n3ncc(-c4ccc(cc4C)C#N)c3OC)=O	800
+C1CC(CCO1)CNC(c2cnc(cc2)-n3ncc(-c4cc(C)ncc4)c3OC)=O	6346
+C1CC(CCO1)CNC(c2cnc(cc2)-n3c(OC)c(C(O)=O)cn3)=O	6
+C1CC(CCO1)CNC(c2cnc(cc2)N3C(=O)C(c4cc(ncc4)C)C=N3)=O	2477
+C1CC(CCO1)CNc2nc(ccc2N)Cl	13
+C1CC(CCO1)CNc2c(N)cnc3ccccc23	13
+C1CC(CCO1)CNc2nc(-c3c(cnc(F)c3)Cl)cnc2N	3712
+C1COCCC1CNc2c3ccccc3nc(Cl)c2N	13
+C1CC(CCC1Nc2cc(c(cn2)Cl)-c3nc(ccc3Br)NCC4CCOCC4)NCCOC	463
+C1CC(CCO1)CNc2nc(-c3cc(ncc3Cl)F)cnc2	1940
+C1CC(CCO1)CNc2nc(-c3c(Cl)cnc(c3)F)ccc2	1238
+C1COCCC1Cn2cnc3c2nc(Cl)cc3	3713
+C1CC(CCO1)COc2nc(c(N)c(c2)N(C(=O)OCC)Cc3ccc(nc3)C)N	13
+C1CC(CCO1)COc2cc3c(NC(=O)N3Cc4cnc(C)cc4)c(N)n2	6347
+C1COCCC1Cn2c3c(nc2C(C)(C)OC)cc(N(C(=O)C)CC)cc3	76
+C1COCCC1N(C(N2C(=O)N(c3c(cccc3)Cl)N=N2)=O)CC	6348
+CN(C)Cc1ccc(-c2cc(c(C)c(c2)C(=O)NCc3c(nc(C)cc3C)O)N(CC)C4CCOCC4)cn1	315
+C1CN(CCO1)Cc2ccc(cc2F)-c3cc(C(NCc4c(O)nc(C)cc4C)=O)c(c(c3)N(C5CCOCC5)CC)C	48
+C1CC(CCO1)N(CC)c2c(C)c(cc(c2)-c3cc(F)c(cc3)C=O)C(=O)NCc4c(nc(C)cc4C)O	11
+C1CC(CCO1)N(CC)c2c(C)c(cc(-c3ccc(nc3)C=O)c2)C(=O)NCc4c(nc(C)cc4C)O	305
+C1CC(CCO1)N2C(=O)C3(N(CCOC3)c4c2cnc(-c5ccc(cc5)NC(=O)NC)n4)C	261
+C1COCCC1N2C(=O)N(Cc3ccc(OC)c(c3)OC)C(c4cc(ccc24)CNC(=O)C)=O	206
+C1COCCC1N2CCN(C2=O)C(=O)Cl	6349
+C1COCCC1N2CCN(C2=O)C(Nc3nc(c(Oc4cc(-c5ccc(C)nc5)ncc4)cc3)CC)=O	6350
+C1CC(CCO1)N2CCC(CC2)Nc3ccc(S(=O)(=O)N)cc3[N+]([O-])=O	205
+C1CN(CCC1Nc2c(ccc(Br)c2)[N+](=O)[O-])C3CCOCC3	60
+C1CN(CCC12CC2C(N3CCN(CC3)C4CC4)=O)C5CCOCC5	10
+c1cc(ccc1N2CCN(CC2)C(C3CC34CCN(CC4)C5CCOCC5)=O)OC	10
+C1CC(CCO1)N2CCC3(CC2)C(C(=O)O)C3	3
+C1COCCC1N2c3c(N(C)C2=O)cnc4ccc(cc34)-c5ccc(nc5)OCCCN(C)C	391
+C1CC(CCO1)N2C(=O)Nc3c2nc(Nc4cc(C#N)ccc4N)nc3Cl	0
+C1CC(CCO1)N2c3c(NC2=O)c(Cl)nc(Nc4cc(C#N)ccc4[N+](=O)[O-])n3	490
+C1CC(CCO1)N2c3nc(Nc4c(ccc(F)c4)[N+](=O)[O-])nc(Cl)c3NC2=O	490
+C1COCCC1N2c3c(cc(cc3)C#N)C(=O)N(C2=O)Cc4cc(c(OC)cc4)OC	160
+C1CC(CCO1)NC(=O)c2cc3c(cnn3C4OCCCC4)cc2Oc5c(cc(N)cc5)F	0
+C1CC(CCO1)NCCCCN2C(Nc3c(nc(nc23)OC(CCC)C)N)=O	1604
+C1COCCC1n2c(-c3cc(c(cc3NC(=O)C)C)Br)ccn2	2008
+C1CC(CCO1)NNC(c2c(ccnc2OC)I)=O	1325
+C1COCCC1N2c3c(C(=O)N2)c(ncc3)OC	3714
+c1cc(ccc1CC=2C(N(C3CCOCC3)c4n(C=2CCC)ncc4)=O)-c5ccccc5C#N	3242
+C1CC(CCO1)N(c2c(c(C(OC)=O)cc(Cl)c2)C)C	891
+C1COCCC1Nc2c3cnn(CC)c3nc(CC)c2CNC(=O)c4nc(ccc4)C(OC)=O	81
+C1COCCC1Nc2c3c(n(nc3)CC)nc(c2CNC(=O)c4ccc(cc4)CCCCCCCCO)CC	14
+c1ccccc1C(CO)NC(=O)c2cnc3c(cnn3CC)c2NC4CCOCC4	56
+C1COCCC1Nc2c3c(C)nn(C(C)C)c3nc(c2C(O)=O)-c4cc(O)ccc4	6
+C1CC(CCO1)Nc2c(CN)c(nc3n(ncc23)CC)CC	18
+C1CC(CCO1)Nc2n3c(nc(N4CCCC4)c2)cc(C(=O)N(C)OC)n3	1006
+FC(F)(F)C(=O)N(c1c(ccc(c1)[N+](=O)[O-])C(=O)O)C2CCOCC2	1326
+C1CC(CCO1)Nc2n3c(nc(N4CCCC4)c2)cc(C(=O)OCC)n3	790
+C1CC(CCO1)Nc2[nH]ncc2	3715
+C1CC(CCO1)Nc2cc(N3CCCC3)nc4cc(nn24)C(=O)O	6
+C1CC(CCO1)N2c3c(NC2=O)c(nc(N)n3)Cl	3716
+C1COCCC1Oc2ncc(C(=O)N3CCCN(CC3)C4CCC4)cc2	91
+C1COCCC1Oc2cccc3C(=O)c4c(CCc23)cc(cc4)Cl	419
+C1COCCC1Oc2cc(N)ncc2C#N	2009
+C1COCCC1OS(=O)(=O)C	7
+C1CC(CCO1)C(S(=O)(=O)c2ccc(cc2)Cl)c3c(F)ccc(c3)F	6351
+Fc1cc(cc(F)c1)OC2CCOCC2	20
+C1COCCC1Oc2cc(ccc2[N+](=O)[O-])F	419
+C1COCCC1OC(c2ccc(Cl)c(Cl)c2)C(=O)OC	6352
+C1CC(CCO1)Oc2ccc(cc2)Br	20
+C1CC(CCO1)Oc2ccc(cc2)C(=O)c3ccc(cc3)[N+]([O-])=O	20
+c1cc(ccc1NC(c2cc(-c3cncnc3)c(nc2)OC4CCOCC4)=O)OC(F)(F)Cl	91
+C1COCCC1n2cc(cn2)[N+]([O-])=O	2010
+C1CC(CCO1)Oc2c3c(ccc(Cl)n3)ncn2	3717
+C1CC(CCO1)OC(c2cc(c(cc2)Cl)Cl)C(=O)Nc3sccn3	373
+C1CC(CCO1)Oc2cc(Oc3ccc(S(=O)(=O)C)nc3)cc4cc([nH]c24)C(O)=O	6
+C1CC(CCO1)Oc2c3[nH]c(C4=NCC(CC(N5CCS(=O)(=O)CC5)=O)S4)cc3cc(c2)Oc6ccc(S(=O)(=O)C)nc6	10
+C1CC(CCO1)Oc2c3[nH]c(C4=NCC(S4)CC(=O)O)cc3cc(c2)Oc5ccc(S(=O)(=O)C)nc5	3
+C1CC(CCO1)Oc2ncnc3ccc(-c4cncc(NS(=O)(=O)c5c(Cl)cc(cc5)Br)c4)nc23	3718
+C1CC(CCO1)Oc2c3[nH]c(cc3cc(c2)Oc4ccc(S(=O)(=O)C)nc4)C5=NCC(S5)CC(=O)OCC	892
+C1CC(CCO1)Oc2cc(Oc3ccc(S(=O)(=O)C)nc3)cc4cc(C(=S)N)[nH]c24	742
+C1CC(CCO1)Oc2cc(Oc3ccc(S(=O)(=O)C)nc3)cc4cc([nH]c24)C(N)=O	247
+C1CC(CCO1)Oc2cc(ccc2Nc3c4c(C)c(sc4ncn3)C(NCCCCN(C)C)=O)F	6353
+C1CC(CCO1)Oc2ccc(cc2)S(=O)(=O)Cl	6354
+C1COCCC1Sc2cc3c(ccnc3cc2OC)Nc4n[nH]c(c4C)C	607
+C1COCCC1Sc2cc3c(Cl)ccnc3cc2	1524
+C1COCCC1c2c(nccc2)Oc3ccc(cc3)N	1605
+CC1(C)C(C)(C)OB(O1)c2c(cc(cc2F)C3CCOCC3)F	1327
+c1cc(ccc1)CNc2cc(ccc2OC)C3CCOCC3	250
+C1COCCC1c2ccc(cc2)[N+]([O-])=O	31
+C1CC(CCO1)c2cnc(c(n2)-c3ccc(c(c3)F)C(=O)O)N	1
+CC(C)(C)OC(=O)NCC(c1cc(cc(Br)c1)F)NC(c2c(F)cc(-c3c(ncc(C4CCOCC4)n3)N)cc2)=O	14
+C1CC(CCC1)C(c2cc(sc2CC)C3CCOCC3)O	6355
+C1CC(CCO1)n2ncc(N)c2Cl	209
+C1CC(CCO1)n2c3ccc(cc3nc2C)-c4nc5cc(Cl)ccc5o4	1328
+C1CC(CCO1)n2nc(c3c(nccc23)O)-c4cc(C(=O)OC)sc4	104
+C1CC(CCO1)n2nc(c3c(nccc23)O)-c4cc(sc4)C(=O)O	1
+C1CC(CCO1)n2nc(c3c(nccc23)O)-c4csc(C(N)=O)c4	6356
+CC1(C)CC=C(CC1)c2c(N)ccc(C3(CCS(CC3)(=O)=O)C#N)c2	563
+C1CC1NC(Nc2ccc(cc2)-c3nc4N5CCOCC5(C)C(=O)N(C6CCS(CC6)(=O)=O)c4cn3)=O	261
+C1CS(=O)(=O)CCC1CCO	991
+C1CSCCC1N2c3c(N4C(C2=O)(COCC4)C)nc(nc3)Cl	3719
+CC(C)(C)N1CCC(CC1)=O	6357
+C12C[Se]CC(CN(C1)CCc3ccccc3)C2=O	6358
+C1N2CCN(CC2CCC1CO)c3c4c(cccc4)on3	2573
+C1CC(CN2CCCC2=O)Cc3[nH]c4c(c13)c(ccc4C(=O)N)Br	1553
+C1c2c3c([nH]c2CC(C=O)C1)c(ccc3Br)C(=O)N	378
+C1CC(Cc2c1c(OCC3CO3)ccc2)O	72
+c1nc(ncc1F)N2CCN3C(CCC(C3)Cn4ccc5c4ccc(F)c5)C2	117
+CC(C)(C1CCC(CC1)(F)F)NC(=O)N2Cc3c(C(=O)N)c(-c4cc(Cl)c(F)cc4)nn3CC2	6359
+CC(C)(C)C(NCc1ccc(c(c1F)C(Nc2cccc3c2nc(nc3NC4CCC(F)(F)CC4)C)=O)Cl)=O	487
+C1CC(F)(F)CCC1Nc2nc(nc(NC3CCC(F)(F)CC3)n2)-c4nc(NN)ccc4F	1606
+C1CC(F)(F)CCC1Nc2nc(nc(NC3CCC(F)(F)CC3)n2)-c4c(ccc(N)n4)F	2574
+C1CC(CCC1(F)F)Oc2cc(F)c(C(=O)OC)cc2C3CC3	2530
+C1CC(CCN1C(=O)C(NC(=O)c2c3nc(-c4cn(CC)nc4)cnc3[nH]c2)C5CC5)(F)F	6360
+C1CN(CCC1(F)F)C(=O)c2sc3ccc(OC4CCN(CC4)C(C)C)cc3c2	867
+c1cc(ccc1)C(N2CCC(F)(F)CC2)C(=O)O	6361
+FC1(F)CCN(CC1)Cc2c3n(c(n2)Br)cccc3	879
+C1CN(CCC1(F)F)c2nc(Cl)cc(C)c2[N+]([O-])=O	43
+C1CC(CCN1CCOc2ccccc2Br)(F)F	236
+C1CN(CCC1(F)F)C(=O)Oc2ccc(cc2)[N+]([O-])=O	66
+CC(C)(C)OC(N1CCC(CC1)n2cc(cn2)-c3c(OCCC)c4c(cc3)N(C(=O)OC)C(C)CC4)=O	320
+C1CC(N(C(=O)OC)c2ccc(Br)c(OCCC)c12)C	8
+C1(Nc2cc(C(=O)OC)cnc2N3CCCC13)=O	1530
+O=S(=O)(c1ccc(cc1)F)NC2Cc3c(c(n4ccccc34)CC(=O)OCC)CC2	71
+Cc1nc(N2CCC(N3C(C)CCC3)C2)ccc1[N+]([O-])=O	43
+CC(C)(C)OC(NC(C1CCCCC1)C(=O)N2CCCC2c3cc(-n4cnc5ccccc45)ncc3)=O	10
+C1CC(NC1C(=O)OC)=O	27
+c1cc(ccc1C(Nc2c(CNC(=O)C3NC(CC3)=O)cc(F)c(Nc4[nH]nc(c4)C5CC5)n2)C)F	9
+CC(C)(C)OC(=O)N1C(CCC1=O)C(OC)=O	6362
+CC(C)CN1C(C(=O)N)CCCC1	2575
+C1CC(NCC1)C(=O)N	327
+C1CCN(c2c([N+]([O-])=O)cc(cn2)C(=O)OC)C(C1)C(OC)=O	3720
+C1CN(CCN1)CCCOc2cccc3c2CCC(=O)N3	53
+[N-]=[N+]=NC1CCc2c(C)cccc12	841
+C1(=O)C(C#N)=CN(c2cc3c(N(C(S3)=O)C)cc2)C(=O)N1C4c5cccc(Cl)c5CC4	3367
+c1cc(ccc1C#N)Nc2c3CCC(c3ncn2)OC	73
+c12C(CCc1c(cc(Br)c2F)F)O	74
+CC1(C)C(C)(C)OB(O1)c2c3c(C(=O)CC3)ccc2	17
+C1c2c(C(N)C1)cncc2Br	3721
+C=1c2cccc(Cl)c2CC=1	2576
+c12ccc(c(O)c1CCC2)C	165
+C1CC(c2ccc(C)c(OC)c12)=O	297
+C1c2c(OCOC)cccc2C(NC)C1	1607
+C1CC(c2c1c(cc([N+]([O-])=O)c2OC)Br)=O	65
+C1c2c(c(c(cc2Br)[N+]([O-])=O)OC)C(C1)=CC#N	2011
+C1CC(O)c2cccc(c12)OC	74
+C1CC(c2ccc(c(c12)Br)O)=O	5
+FC(F)(F)S(=O)(=O)Oc1ccc2C(=O)CCc2c1Br	166
+CC(C)(C)[Si](C)(C)OCC1CCC(Oc2ncnc3c2nc(-c4c5c(cccc5)ccc4)n3C6OCCCC6)C1	3722
+C1CC1n2ncc(-c3ccc4c(c3)N(c5nn(c6c5cccc6)C7OCCCC7)CC(C)N4C(=O)C)c2	3723
+c1cc(ccn1)N2CCC(CC2)C(Nc3ccc4n(C5OCCCC5)nc(-c6[nH]c7c(n6)cccc7)c4c3)=O	33
+c1(nn(C2OCCCC2)c3cc(-c4c(c(cc(OC)c4F)OC)Cl)ncc13)I	662
+C1CC1(NC(C(NC(N2CCC3(CC3)CC2)=O)CC(F)(F)C)=O)C#N	9
+CC(C)(C)OC(=O)N1C(CC(C1)S(=O)(=O)c2c(cccc2)Cl)C(NC3(CC3)C#N)=O	9
+CC(C)(C)OC(=O)NC(C[Si](C)(C)C)C(NC1(CC1)C#N)=O	9
+C[Si](C)(C)CC(NC(=O)c1cccc(I)c1)C(=O)NC2(CC2)C#N	9
+FC(F)(F)C(NC(CCC)C(NC1(CC1)C#N)=O)c2ccc(cc2)Br	9
+C1CC1(NC(C2CCCCC2c3nc(sc3-c4ccc(cc4)N5CCS(=O)(=O)CC5)N6CCC(F)(F)CC6)=O)C#N	9
+O=S1(=O)CCN(CC1)c2ccc(cc2)-c3nc(-c4cccc(Cl)c4F)oc3C5CCCCC5C(=O)NC6(CC6)C#N	9
+C1CC1(C#N)NC(=O)C2C(c3c(nc(-c4cc(c(cc4)F)F)o3)-c5ccc(cc5)Br)CCCC2	9
+C1CC1(C#N)NC(=O)C2C(c3c(nc(o3)-c4cccc(c4)Cl)-c5ccc(cc5)Br)CCCC2	9
+O=S(=O)(C1CC(C(NC2(CC2)C#N)=O)C(COCc3ccc(cc3)OC)C1)c4ccc(F)cc4Cl	271
+c1cc(ccc1N2CCOCC2)-c3sc(nc3C4CCC(F)CC4C(=O)NC5(CC5)C#N)C	9
+c1cc(ccc1-c2c(C3CCCCC3C(=O)NC4(CC4)C#N)oc(n2)-c5cc(c(cc5)F)F)N6CCS(=O)(=O)CC6	79
+c1cc(ccc1-c2nc(-c3cccc(c3)Cl)oc2C4CCCCC4C(=O)NC5(CC5)C#N)N6CCS(=O)(=O)CC6	79
+C1CC1(C#N)c2c(c(ccc2)C(=O)Nc3cccc(Oc4cc5sc(NC(C)=O)nc5cc4)c3)Cl	67
+c1(cc(cc(Cl)c1C2(CC2)CN)Cl)Cl	51
+C1CC1(c2ncc(cc2Cl)Br)CN	51
+c1ccccc1C2C(NCc3c(ccc(C4(CC4)C#N)c3)OC)CCCN2	42
+n1cc(cnc1C2(CC2)CN)C	51
+C1CC1(C(N)=O)c2onc(n2)-c3cc(c(C4CC4)cn3)OCC5CC5	6363
+C1CC1(C(=O)N)NC(=O)c2cccc(N)c2	0
+C1CC1(c2ccccc2C#Cc3nc(Cl)ncc3Cl)C(=O)N	838
+C1CC1(c2c(cccc2)C#Cc3nc(ncc3C)Cl)C(=O)N	838
+FC(F)(F)c1cnc(Nc2cnc(OC)cc2)nc1C#Cc3c(cccc3)C4(CC4)C(=O)N	838
+C1CC1(C(Nc2cc3cc([nH]c3cc2)C(=O)O)=O)c4cc5OCOc5cc4	6
+CN(C)C(=O)c1ccc(cc1)-c2cc(ccc2CO)NC(=O)C3(CC3)c4cc5OCOc5cc4	11
+C1CC1(C(N2CC(C(C2)Nc3c4n(cc(Br)c4)ncc3C(=O)N)OC)=O)C#N	10
+C1CC1(C#N)C(=O)N2CCC(C)C(N(c3c4c([nH]cc4)ncn3)C)C2	10
+c1cc(ccc1CCCCCCCCCCCC)C(=O)NNC(C2(CC2)C#N)=O	708
+C1CC(CCC1)C2(CC2)C(=O)Nc3c(ccc4c3ccc(Cl)n4)Cl	33
+C1CC1(Sc2cc(N=C3SC(N4N3CCCC4)=O)c(F)cc2Cl)C(=O)OC	6364
+C1CC1(Sc2cc(c(F)cc2Cl)N=C=S)C(=O)OC	333
+C1CC1(c2cc3c(cc2)ocn3)C(=O)OC	2577
+C1CC1(C(OCC)=O)Oc2cc(NC(OCC)=O)c(F)cc2Cl	90
+C1CC1(C(=O)OCC)c2ccc(cc2)-c3c(OC)cc(cc3)-c4c(cc(F)s4)NC(=O)OC(C)c5cscc5Cl	2578
+c1cc(ccc1-c2c(OC)cc(cc2)-c3c(cc(F)s3)NC(=O)OC(C)c4cscc4Cl)C5(CC5)C(=O)O	3
+c1c(C)cc(cc1CC(C(NCC#N)=O)NC(c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(N)=O)=O)C	1007
+CC(C)(C)OC(N1CCC(CC1)n2ncc(Nc3nc(CCc4ccccc4C5(CC5)C(N)=O)c(cn3)C)c2)=O	486
+c1cc(ccc1OC)-c2cc3c(NC4C(CN(C(=O)C5(CC5)C#N)C4)OC)c(C(=O)N)cnn3c2	550
+c1cc(ccc1CNC(C2(CC2)NC(c3onc(OC)c3)=O)=O)-n4c5c(c(Cl)c4-c6noc(n6)C)cccc5	1585
+C1CC1(C(=O)Nc2c(C)cc(cc2)Br)C(O)=O	3
+C1CC1(C(=O)Nc2ccc(CO)c(Br)c2)c3cc4OCOc4cc3	88
+CC(C)(C)NC(c1cc2c([nH]1)ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)=O	81
+C1CC1(C(Nc2cc(c(nc2)C)-c3cccc(S(=O)(=O)N(C)C)c3)=O)c4ccc5OCOc5c4	89
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4ccc(c(n4)C5=CC(N(C=C5)CCO)=O)C	6365
+FC1(F)Oc2ccc(C3(CC3)C(Nc4ccc(c(-c5c(OC)ncc(C)c5)n4)C)=O)cc2O1	1608
+O=S(=O)(CCN1C(C=CC(c2c(ccc(NC(=O)C3(CC3)c4ccc5OC(F)(F)Oc5c4)n2)C)=C1)=O)C	3724
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4nc(C5=CN(C)C(=O)C=C5)c(C)cc4	3724
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4ccc(c(n4)-c5cc(cc(C(OC)=O)c5)O)C	362
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4ccc(C)c(-c5cccc(C(O)=O)c5)n4	140
+CC(C)(C)OC(N1CCN(CC1)C2(CC2)C(O)=O)=O	23
+C1CC1(C(OC)=O)c2cc(O)c(cc2)O	27
+c1cc(ccc1Cl)C2(CC2)C(N3CC(S(=O)(=O)c4ccccc4Cl)CC3C(OC)=O)=O	478
+c1cc(ccc1C2(CC2)C(OC)=O)OC	167
+C1CC1(C(=O)O)Nc2c(Cl)cnc(Cl)n2	4
+C1CC1(Oc2ccc(N)c(F)c2)C(OC)=O	0
+c1cc(ccc1C2(CC2)C(=O)OC)-c3csc(n3)N	2579
+C1CC1(c2[nH]c(c(n2)-c3ccc(F)cc3F)-c4nc5c(cc4)nc(NC(COCC)C)o5)C(OC)=O	3514
+C1CCN(C1)C(C2CCCN(c3ccc4c(nc(C5(CC5)c6ccccc6OC)[nH]4)n3)C2)=O	3725
+C1CC1(NC(=O)c2cccc([N+]([O-])=O)c2)C(O)=O	3
+C1CC1(NC(c2cncnc2)=O)C(O)=O	3
+C1CC1(Nc2nc3c(nc2C)cccc3Br)C	3726
+CC1(C)OCC(C2(CC2)O)N(C(=O)c3cn4c(nc(n4)NCc5cccc(Cl)c5)c(OC)c3)C1	211
+C1CC1(C=C(F)CO)c2ccc3c(c2)OCO3	6366
+C1CC1(c2ccc3c(OCO3)c2)C=C(F)COC(=O)C	2580
+C1CC1(c2ccc3c(cccn3)c2)c4nnc5ncc(-c6cc(F)c(C(OC)=O)cc6)nn45	3727
+c1cc(ccc1-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)C(=O)OC	3727
+C1CC1(c2cc(ncc2)Br)C(=O)O	1329
+c1cc(ccc1C(=O)OC)CCC(C=O)CCC2(CC2)CC(OCC)=O	24
+C1CC1(CCN2c3ccccc3C(C)(C)OC2=O)NCC(c4ccc(c5NC(COc45)=O)OCc6ccccc6)O	6367
+C1CC1(CCN2c3ccccc3C(C)(C)OC2=O)NCC(c4c5OCC(Nc5c(O)cc4)=O)O	16
+C1CC1(NC(=O)c2cnc(N3C(=O)C(C=N3)c4ccc(C#N)cc4OC)cc2)CCOC	56
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2cc(F)c(NC(=O)NCC3(CC3)C#N)cc2	675
+c1(-c2cc(cc(-c3cccc(Cl)c3)c2OCOC)C(NCC4(CC4)COCCCCc5ccccc5)=O)cccc(Cl)c1	176
+FC(F)(F)Oc1cc(Oc2nc3N(C)C(N(CC4(CC4)CO)C(=O)c3n2Cc5ccc(cc5)Cl)=O)ccc1	6368
+O=S(=O)(OCC1(CC1)c2[nH]c(-c3ccc4c(n3)oc(NC(COCC)C)n4)c(-c5ccc(F)cc5F)n2)C	3728
+C1CC1(Nc2cccc(c2)C3Nc4c(Cl)cc(C#N)cc4C(C)(C)C3)C(=O)O	2012
+C1CC1(Nc2cccc(C3CC(C)(C)c4c(c(cc(C#N)c4)C)N3)c2)C(=O)O	2012
+CC(C)(C)[Si](C)(C)Oc1c(OC)ccc(CNC2(CC2)C(OC)=O)c1	1528
+C1CC1(C(OC)=O)Nc2c(Cl)cnc(Cl)n2	2581
+c1cc(ccc1)CN2c3c(-c4cccnc4)nc(C(NC5(CC5)C(OCC)=O)=O)c(c3C=C(c6ccccc6)C2=O)O	1008
+CC(C)(C)OC(NC1(CC1)CCO)=O	37
+c1cc(ccc1)-c2cc(Nc3ccc(cc3)CC(C(O)CNC4(CC4)c5cc(ccc5)C(C)C)NC(C)=O)ncn2	122
+Fc1cccc(F)c1COc2c3n(c(C(=O)NC4(CC4)c5ccc(c(c5)F)F)c(C)n3)cc(n2)C	312
+c1cc(ccc1F)-c2c(C(=O)NC)c3cc(ccc3o2)-c4c(C)ccc(C(=O)NC5(CC5)c6ncc(C)o6)c4	14
+C1CSCCN1C2(CC2)C(=O)N3C(C(NC4(CC4)C#N)=O)CC(S(=O)(=O)c5ccccc5Cl)C3	348
+C1CC1(C(=O)N)NC(=O)c2cccc([N+]([O-])=O)c2	83
+c1cc(ccc1CNC(C2(CC2)NC(=O)c3cncnc3)=O)Oc4c(cc(cc4)Br)Cl	9
+C1CC1NC(c2cc(N3C=CN=C(NC4(CC4)c5c(O)cccc5)C3=O)c(C)cc2)=O	513
+C[Si](C)(C)C#Cc1ccc(cc1)C2(CC2)NCc3ccccc3	263
+O=S(=O)(N)OC1(CC1)C	2419
+CC(C)(C)OC(=O)Nc1onc(c1)-c2cc(-c3ccc(cc3)C(=O)N4CCN(CC4)C(C5(CC5)O)=O)ccc2	10
+FC(F)(F)c1ccc(c(c1)CN(C(C2(CC2)O)=O)CC)-c3cc(ccc3OC)CC(OCC)=O	10
+CC(C)(C)[Si](C)(C)OC1(CC1)CC(c2c(F)ccc(Br)c2)=O	655
+C1CC1(OC(=O)c2ccccc2)CCOC3OCCCC3	47
+C1CC1(COC)OS(=O)(=O)N	6369
+CC(C)(C)[Si](C)(C)OC1(CC1)c2c[nH]cn2	19
+CC(C)(C)OC(=O)NC(C)(C)CCNc1c(C2(CC2)O)cccc1	291
+c1ccccc1C(OC2(CC2)CCO)=O	168
+C1CC1(C(=O)OCC)Oc2c(cc(c(N)c2)F)Cl	0
+C1CCCCC1C(n2c(nc3c2cccc3)-c4ccc(cc4)Cl)C(=O)Nc5ccc(cc5F)OC6(CC6)C(=O)OC	33
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(Nc4ccc(cc4F)OC5(CC5)C(OC)=O)=O)C6CCCCC6	33
+CC(C)(C)OC(N1C(CC2(C(C)(C)C23CCC3)C1)C(NC4(C(NS(=O)(=O)C5(CC5)CCC)=O)CC4C=C)=O)=O	207
+C1CC1(C(=O)OC)Sc2cc(c(F)cc2Cl)N	27
+C1CC1(C(=O)OC)Sc2cc(NC(N3NCCCC3)=S)c(F)cc2Cl	6370
+C1CC1(CO)c2nc(-c3ccc(F)cc3F)c([nH]2)-c4ccc5c(n4)oc(NC(COCC)C)n5	95
+C1CC1(C#N)c2c(Cl)c(ccc2)C(=O)O	1
+C1CC1(c2ccc(nc2Cl)Cl)CN	51
+C[Si](C)(C)C#Cc1ccccc1C2(CC2)C(N)=O	311
+C1CC12COc3c2c(OCOC)ccc3C	126
+C1CC1(C(N)=O)c2ccccc2CCc3nc(ncc3C)Cl	801
+C1CC1(C(O)=O)c2cc(O)c(O)cc2	459
+C1CC1(c2ccc(O)c(c2)[N+](=O)[O-])C(=O)OC	5
+C1CC1(c2cc(ccc2)[N+]([O-])=O)C(=O)N	527
+C1CC1(c2cc(N)ccc2)C(=O)N	0
+CC(C)(C)OC(=O)NC1(CC1)c2ccnc(Br)c2	6371
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4nc(c(c(C)c4)C)-c5cc(c(nc5)O)C)=O	104
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4cc(c(C)c(-c5ccc(O)nc5)n4)C)=O	104
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)C3(CC3)c4cc5OCOc5cc4)ccc2C	17
+c1cc(ccc1CO)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C	11
+C1CC1(C(Nc2cc(c(cc2)COC)Br)=O)c3cc4OCOc4cc3	49
+C1CC1(C(=O)O)c2ccc3ocnc3c2	4
+C1CC1(C=O)c2ccc3ncccc3c2	2013
+C1CC1(c2ccc(cc2F)C#CC(CC=3OC(C)(C)OC(=O)C=3)(O)C4CCCC4)C#N	3729
+C1CC(CCC1)NC(C2(CC2)c3c(F)cc(cc3)Br)=O	68
+C1CC1(c2ccc(Br)cc2F)C(=O)Cl	130
+C1CC1(C(=O)OC)c2ccc(O)c(c2)N	0
+C1CC1(c2cc(O)c(O)cc2)C#N	16
+C1CC1(c2ccc(cc2)Br)C(O)=O	1588
+C1CC1(C(N)=O)c2ccc(cc2)-c3ccc(cc3)C(O)=O	11
+C1CCC(C1)(O)c2ccc(cc2)C3(CC3)C(=O)O	251
+c1cc(ccc1C2(CC2)C(OCC)=O)Br	27
+c1cc(ccc1Br)C2(CC2)C(=O)NS(=O)(=O)C	344
+CC(C)(C)OC(=O)NC1(CC1)c2ccc(cc2)Br	37
+FC(F)(F)c1ccc(cc1)Cc2c(c(sc2C)C)C(NC3(CC3)c4ccc(cc4)C#N)=O	2582
+c1cc(ccc1C2(CC2)C#N)N	1497
+CC1(C)OC(=CC(=O)O1)CC(C2CCCC2)(CCc3cc(c(C4(CC4)C#N)cc3)F)O	213
+C1CC1(c2ccc(cn2)Br)C(=O)N	1004
+c1cc(ccc1-c2cnc(C3(CC3)C(N)=O)cc2)C(N4C(=O)NC(CC4)(CC(C)(C)O)c5ccccc5)C	156
+C1CC1(CNC(c2c(nccc2)Cl)=O)c3c(nc(cc3)Cl)Cl	56
+C1CC1(C(Nc2nc(c(C)cc2)Cl)=O)c3ccc4OC(F)(F)Oc4c3	195
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4cc(C)c(c(Cl)n4)C	195
+CC(C)(C)c1[nH]c2ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)cc2c1	33
+CC(C)(c1[nH]c2ccc(cc2c1)NC(=O)C3(CC3)c4cc5OCOc5cc4)CO	33
+C1CC1(c2ccc3c(c2)OCO3)C(=O)Cl	130
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4ccc5[nH]c(cc5c4)C(CO)C	33
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4cc5cc([nH]c5cc4)C(C(OCC)=O)C	33
+C1CC1(C(Nc2cnc(C)c(c2)Br)=O)c3ccc4OCOc4c3	469
+c1ccccc1Oc2c(F)ccc(c2)CC(F)=CC3(CC3)c4ccc5c(OCO5)c4	6372
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4cccc(-c5ccc(cc5)S(=O)(=O)NC)c4	26
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncc(cc2)-c3cn4c(nc3)ncc4C5(CC5)c6cc7cccnc7cc6	2583
+C1CC1(c2cnc3ncc(cn23)-c4ccc(cc4)OCC(N5CCCC5)=O)c6cc7cccnc7cc6	2583
+C1CC1(c2ccc3c(cccn3)c2)c4nnc5ncc(nn45)-c6ccc(C(O)=O)c(F)c6	1
+C1CC1(c2ccc3c(cccn3)c2)c4nnc5ncc(-c6ccc(c(F)c6)C(NCC)=O)nn45	14
+c1cc(ccc1Nc2cc(ccn2)-c3ccccc3)CC(NC(C)=O)C4OC(N(C5(CC5)c6cccc(C(C)C)c6)C4)=O	201
+C1CC1(C(=O)O)C2CCCCC2	6373
+C1CC1(c2ccccc2)C(OC)=O	325
+C1CC1(c2ccccc2I)C(O)=O	184
+C1CC1(c2ccccc2)Nc3cc(ncc3C(=O)N)Cl	105
+c1cc(ccc1N2CCN(CC2)C(CC)=O)Nc3ncc(c(NC4(CC4)c5ccccc5)c3)C(N)=O	201
+C1CC1(c2ccccc2CCc3c(cnc(n3)Cl)Cl)C(N)=O	801
+C1CN(CCC1n2cc(Nc3nc(CCc4c(cccc4)C5(CC5)C(N)=O)c(cn3)Cl)cn2)C	486
+C1CC1(c2ccccc2CCc3c(cnc(Nc4cnc(C(N)C)cc4)n3)Cl)C(N)=O	6374
+C1CC1(c2c(I)cccc2)C(=O)N	83
+C1CC1NC(c2cc(N3C(C(NC=C3)=NC4(CC4)c5ccccc5OCCNCC(O)C)=O)c(C)cc2)=O	284
+C1CC1(C=O)c2ccnc(Br)c2	2013
+C1CCCN1c2ncc(cc2)C3(CC3)C(=O)OCC	43
+C1CCCN1C(C2CCCN(C2)c3ccc(c(N)n3)NC(=O)C4(CC4)c5cccnc5)=O	469
+FC(F)(F)c1nccnc1C(=O)NCC2(CC2)c3c(Cl)cc(Br)cn3	312
+c1nc(ncc1C)C2(CC2)NC(c3ccc(C)c(c3)-c4cc5c(c(-c6ccc(cc6)F)oc5cc4)C(=O)NC)=O	14
+CC(C)(C)OC(NC1(CC1)c2ncccc2)=O	37
+CC(C)(C)S(N=C1c2cc(ccc2CCC13CC3)Br)=O	2552
+C1CC12C(CN(c3c(cc(c(F)c3OC)C(O)=O)F)C2)NC(c4ccccc4)C	6
+FC(F)(F)Oc1cc(ccc1)N2CCN(C(=O)CC2)C(CCN3CCC4(CC4)C(O)C3)C(OC)=O	61
+C1CC12C(CN(C(=O)CCN3C(=O)C(C)N(CC3)C(=O)C=Cc4cc(Cl)c(cc4)F)CC2)O	10
+C1CC12c3c(c(F)cc(c3)-c4ccc(C#N)n4C)NC2=O	3730
+C1CC12c3ccncc3N(Cc4cc5c(c(cc(Cl)c5)F)n4CCC(OCC)=O)C2=O	6375
+C1CC12c3ccncc3N(Cc4nc5c(c(cc(c5)Cl)F)n4C6CCS(=O)(=O)C6)C2=O	3731
+O=S1(=O)CC2(CC(C2)n3c4ccc(Cl)cc4nc3CN5C(=O)C6(CC6)c7ccncc57)C1	3731
+Fc1cc(cc(F)c1)-c2ccc3c(c2)C4(NC(=N)C(C)=N4)C5(CC5)CC3	6376
+C1CC12C3(NC(=N)C(C)=N3)c4cc(ccc4CC2)-c5cc(C#N)cc(F)c5	6377
+FC(F)(F)c1ccc(cc1)CN2CCC3(CC3)CC2(C)C(NC(C)c4ccc(cc4)C(OC)=O)=O	1330
+C1CC12N(C(CC2)CO)C	168
+c1cc(ccc1)CN2CC(O)C3(CC3)CC2	100
+FC(F)(C)CC(C(OC)=O)NC(=O)N1CCC2(CC2)CC1	3508
+n1cc(cnc1Oc2c3C4(CC4)CCOc3ccc2)[N+]([O-])=O	893
+C1CC12CCOc3c2c(O)ccc3	241
+C1CC12C3(c4cc(ccc4CC2)Br)N=C(C(C)=N3)N	6378
+CC(C)(C)OC(=O)n1ccc2c(ncnc12)N3CC4(CC4)N(S(=O)(=O)NC5CCC5)CC3	6379
+C1CC(CCC1)N2CC3(CC3)C(=O)N(c4c2nc(nc4)Cl)C	998
+CC(C)(C)OC(=O)N1C(CC2(CC2)C1)CO	23
+CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O	123
+CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(Oc2ccc(c3c2C4(CC4)CO3)C)nc1)CC	469
+C1CC12COc3c(ccc(c23)Oc4ccc(N)cn4)C	13
+C1CC12COc3c(ccc(c23)Oc4ncc(cc4)[N+](=O)[O-])C	136
+c1nc(ncc1[N+]([O-])=O)Oc2ccc(c3c2C4(CC4)CO3)C	893
+C1CC12COc3c2c(O)ccc3C	241
+c1(C)cc(cc(C)c1-c2c(c(CNc3ccc4C(CC(=O)OC)C5(CC5)Cc4c3)ccc2)C)OCC6COC(C)(C)O6	208
+C1CC12CCC(COS(=O)(=O)C)N2C	7
+C1CC12CN(CCN2S(=O)(=O)NC3CCC3)c4c5cc[nH]c5ncn4	6380
+C1CC12CN(c3c2c(C)nc(n3)-c4ccc(OC)c(c4)F)c5cc(OCC(=O)N(C)C)ccc5	648
+C1CC12c3ccncc3N(Cc4cc5c(c(cc(Cl)c5)F)n4CCC(O)=O)C2=O	3
+C1CC1Sc2c(cccc2)Br	6381
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)Nc2c(C#CC3CC3)cccc2	121
+FC(F)(F)C(=O)NCc1cc(C2=NN(C(=O)N2)c3c(F)cc(cc3)C#CC4CC4)c(Cl)cc1	3732
+CC(C)Oc1cc(ccc1C#CC2CC2)C(=O)NS(=O)(=O)c3ccccc3S(=O)(=O)N	197
+C1CC1C#CCOS(=O)(=O)c2ccc(cc2)C	2390
+C1CC1C#CCOc2ccc(cc2)Cc3c(ccc(C4C(O)C(O)C(O)C(CO)O4)c3)Cl	6382
+CC(C)(C)C(NCc1cc(C2=NN(C(=O)N2)c3c(F)cc(cc3)C#CC4CC4)c(Cl)cc1)=O	3733
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C	792
+C1CC1(c2ccc(cn2)Br)C#N	6383
+O=S(=O)(c1cc(ccc1C(=O)c2c(onc2)C3CC3)Cl)C	6384
+C1CC1C=2C(=C3N(C(=O)C=2CCCC)c4ccccc4N3)C#N	3734
+c1cc(ccc1Cl)-c2c(n[nH]c2N)C3CC3	2014
+C1CC1c2c3c(n(-c4c(Cl)cc([N+](=O)[O-])cc4)n2)-c5sc(NC(C)=O)nc5CC3	6385
+C1CC1c2n[nH]c(c2)C3CC3	3735
+C1CC1C(=O)C(=CN(C)C)C(c2ncc(cc2Cl)Cl)=O	6386
+C1CC1c2nc(O)c(C#N)c(c2)C	3346
+FC(F)(F)Oc1ccccc1-c2noc(C3CC3)c2C(OC)=O	3495
+C1CN(CCN1c2cc([N+]([O-])=O)ccc2OC)C(C3CC3)=O	58
+C1CN(CCN1C(C2CC2)=O)c3ccc(cc3)C(=O)O	58
+C1CC1C(Nc2cc(ccc2)-c3ccc(nn3)N4CCN(CC4)C5CC5)=O	26
+C1CC1C(N2CCC(CC2)C(=O)OCC)=O	58
+C1CC1C(N2C(C)CCc3c2cccc3OC)=O	192
+C1CC1C(N2CC(CC2)C#N)=O	1324
+C1CC1C(N2CCC(C2)CC(OCC)=O)=O	1324
+c1cc(ccc1Br)-c2nc(C)c(C)n2CC3CN(C(=O)C4CC4)CC3	1324
+CC(C)(C)OC(=O)NCc1ccc(cc1)-c2csc(NC(C3CC3)=O)n2	290
+CC(C)(C)OC(=O)Nc1cc(Oc2cn3c(nc(n3)NC(=O)C4CC4)cc2)ccc1Cl	784
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(ncc2Cl)[nH]cc3NC(C4CC4)=O)C1	308
+CC(C)(C)OC(NC1CN(CC1)C(=O)C2CC2)=O	58
+CC(C)(C)OC(Nc1c(F)ccc(Oc2ccc3nc(sc3n2)NC(C4CC4)=O)c1)=O	290
+CC(C)(C)OC(Nc1c(ccc(c1)Oc2ccc3nc(nn3c2)NC(=O)C4CC4)C)=O	784
+CC(C)(Cn1c2c3ccccc3nc(N)c2nc1CONC(C4CC4)=O)O	3736
+FC(F)(F)C(N1c2c(N(CC1C)C(C3CC3)=O)cc(cc2)Br)=O	192
+FC(F)(F)C(=O)Nc1cc(N(c2nc3sc(NC(C4CC4)=O)nc3cc2)C)ccc1F	290
+FC(F)(F)c1c(CN(C(=O)C2CC2)Cc3ncccc3)ccc(C=CC(C(F)(F)F)c4cc(Cl)c(c(c4)Cl)Cl)c1	58
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3sc(NC(=O)C4CC4)nc3cc2)c(Cl)cc1F)=O	290
+FC(F)(F)C1(Cc2cc(ccc2O1)-c3c(F)c(NC(C4CC4)=O)ccc3)c5cc(Cl)cc(Cl)c5	26
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)Cc3c(O1)ccc(-c4cccc(NC(C5CC5)=O)c4)c3	26
+FC(F)(F)c1ccc(-c2cc(CC#N)ccc2OC)c(CN(CC)C(C3CC3)=O)c1	58
+FC(F)(F)c1cc(cc(c1)NC(=O)C2CC2)-c3cnco3	26
+C1CC1C(Nc2cc(-c3nn(C)c(OC(F)F)c3Cl)ccc2Cl)=O	26
+C1CC1C(Nc2c(ccc([N+](=O)[O-])c2)F)=O	26
+C1CC1C(=O)Nc2cc(ccn2)[N+](=O)[O-]	195
+c1cc(ccc1)S(=O)(=O)c2c([nH]c3ccc(cc23)Cl)NC(=O)C4CC4	195
+C1CC1C(Nc2c[nH]c3ncc(OCC)c(F)c23)=O	308
+C1CC1C(N2CC(CNc3c([N+]([O-])=O)ccc(c3)F)CC2)=O	58
+C1CC1C(Nc2cccc(Br)c2)=O	26
+C1CC1C(N2CC(CC2)Nc3c4c(n(CC)c(C(=O)OC)n4)ncn3)=O	58
+C1CC1C(Nc2ncc3cc(ccc3c2)Br)=O	195
+C1CC1C(Nc2cn3c(ccc(n3)I)n2)=O	1841
+C1CC1C(N(CC)Cc2c(ccc(F)c2)-c3c(OC)ccc(CC(OCC)=O)c3)=O	58
+C1CC1C(Nc2ccc(c(OC)c2)-c3oc(-c4c(-c5ccccc5)noc4C)nn3)=O	26
+C1CC1C(=O)N(Cc2ccccc2)CCn3c4ncnc(N)c4c(-c5cc(cc(O)c5)F)n3	58
+c1cc(ccc1)N2C(=O)C(=C3COCCN23)C(=O)Nc4cc(c(Oc5ccnc(c5)NC(C6CC6)=O)cc4)F	195
+c1cc(ccc1-c2ccc3nnc(n3c2)Sc4ccc5c(sc(NC(=O)C6CC6)n5)c4)F	290
+c1cc(ccc1-c2n(c3cc(ccc3c2C#N)OCC)CC)NC(=O)C4CC4	26
+c1cc(ccc1CC2N(C(=O)C3CC3)CCC2)Cl	58
+C1CC1C(Nc2ccccc2Oc3nc(Cl)ncc3Cl)=O	26
+C1CC1C(=O)Nc2nn3c(ccc(c3)Oc4cc(C)cc(c4)NC(=O)c5n(nc(C)c5)C)n2	784
+C1CC1C(=O)NC2c3c(c(-c4ccc5N(C)C(=O)CCc5c4)cnc3)CCC2	68
+C1CC1C(=O)Nc2nn3cccc(Br)c3c2	195
+C1CC1C(=O)Nc2ncc(c(c2)NC(=O)c3c(Cl)cc(cc3Cl)Cl)F	1153
+C1CC1C(=O)N2C(C)CCc3c(OC4CCC4)c(-c5c(n(C6CC6)nc5)NS(=O)(=O)C)ccc23	802
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-n3c4c(C(=O)N(C=N4)CC5(CCN(CC5)C(=O)C6CC6)O)cn3	17
+C1CN(CCC1C(=O)N2CC(C(CC2)N(C(c3ccc(cc3)Br)=O)C)c4cc(c(Cl)cc4)Cl)C(=O)C5CC5	10
+c1cc(ccc1-c2cc3c(c[nH]n3)cc2)-c4nc5c(cc(F)cc5)n4CC6CN(CC6)C(=O)C7CC7	803
+C1CNCCN1CC2CC2	15
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c2)N(CC(C)N3)C(C4CC4)=O	17
+C1CC1c2n3c4cc(Br)ccc4ncc3nn2	6387
+c1cc(ccc1N2C(=CC=C(C(Nc3ccc(cc3)Oc4ccc5n(c4)cc(NC(=O)C6CC6)n5)=O)C2=O)CC)F	6388
+C1CC1C(=O)Nc2nc3n(n2)cc(cc3)Oc4cc(c(cc4)C)NC(=O)c5c(C)sc(C)n5	2015
+C1CC1C(=O)Nc2nc3n(cc(Oc4ccc(c(c4)NC(c5c(nn(CC)c5)C)=O)Cl)cc3)n2	3737
+CC(C)(C)OC(=O)N1CCC(C1)Oc2ccc(cc2)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5	3738
+c1cc(ccc1-c2c3n(ccc2)nc(c3)NC(=O)C4CC4)C=O	1009
+FC(F)(F)Oc1cc(ccc1)C(=O)Nc2c(cc(Cl)c(Oc3c(C#N)c4sc(NC(=O)C5CC5)nc4cc3)c2)F	67
+C1CC1C(=O)C(c2ccc(cc2)Cl)C#N	1260
+c1ccc(C)cc1C(CCCCl)=O	6389
+Clc1cc(cc(Cl)c1O)-c2ccc3ncc(c(c3c2)NC4CCC(CC4)CN5CC(O)CC5)C(C6CC6)=O	99
+C1CC1C(c2cnc3c(c2Cl)cc(Br)cc3)=O	120
+C1CC1C(Oc2cccc3ccccc23)C(OCC)=O	289
+C1CC1C(C(Nc2ccc(cc2)Cl)=O)Oc3c4c(cccc4)ccc3	33
+C1CC1C(=O)CC(=O)C2CC2	3739
+C1CC1C(=O)CC(C)=O	6390
+C1CC1C(CC(=O)C(=O)OCC)=O	1135
+C1CC1C(=O)CC(=O)c2c(cc(cn2)Cl)Cl	6391
+C1CC1C(Nc2c3cc(cn3ncc2C(=O)N)Br)C	719
+C1CC1C(NCCCn2c3ncnc(N)c3nc2Sc4cc(Cl)cc(c4)Cl)C	132
+c1cc(ccc1Cl)Cn2c3c(NC(C4CC4)C)nc(nc3nc2-c5c(ccc(C)c5)OCCC=C)Cl	516
+C1CC1C(C)n2ncc(-c3nc(cc4nccn34)-c5cnn(C)c5)c2	2010
+C1CC1C(C)Oc2cccc(C(OC)=O)c2	20
+C1CC1C(Oc2cccc(c2)C(O)=O)C	1
+C1CC1C(C2CC2)(O)C#Cc3ccc(cc3)C(NS(=O)(=O)c4c(cccc4)S(=O)(=O)N)=O	121
+c1cc(ccc1OC)Cn2ncc3c2nc(cc3C(OCC)=O)C4CC4	3740
+CC(C)(C)Cc1nc(ccc1-c2cc(ccc2F)OC)COc3cc(ccc3F)C(CC(=O)OC)C4CC4	412
+CC(C)(C)Cc1c(ccc(n1)COc2cccc(C(CC(=O)OC)C3CC3)c2)-c4cc(OC)ccc4F	1538
+CC(C)COc1cc(COc2cccc(C(CC(OC)=O)C3CC3)c2)c(nc1-c4cc(OC)ccc4F)OC	20
+CC(C)(C)CCc1c(OCc2cccc(C(C3CC3)CC(=O)OCC)c2)ccc(-c4cc(ccc4F)OC)c1	20
+C1CC1C(=O)C(CCCC)C(=O)OCC	6392
+C1CC1C2(COCC(=O)N2)c3c(ccc(c3)Br)F	467
+C1CC1c2nc(on2)C3CN(CC(C3)c4ccc(cc4)OC(F)F)C(=O)N5CCS(CC5)(=O)=O	2584
+c1ccccc1Oc2c3c(ccc2Br)N(C(C4CC4)=O)C(CC3)C	472
+C1CC1C(N2C(C)CCc3c(cccc23)O)=O	5
+C1CC1CN2C3Cc4ccc(OCC)cc4C5(CC2)COCCC35	15
+C1CC1C(N2C3C4CCOCC4(CC2)c5c(C3)ccc(OCC)c5)=O	116
+C1CC1C(=O)N2CC(CC2)CN	51
+C1CC1C(N2CC(CC3=NNC(=O)N3c4c(F)cc(c(c4)F)Br)CC2)=O	2585
+C1CC1C(N2CC(CC3=NNC(=O)N3c4cc(F)c(-c5ccc6occc6c5)cc4F)CC2)=O	99
+C1CC1C(=O)N2CCC(Cn3c(-c4ccc(cc4)Br)nc5c3cc(F)cc5)C2	1301
+C1CC1C(N2CC(CNc3c(N)ccc(c3)F)CC2)=O	0
+C1CC1C(N2CC(CC2)CC(=O)NNC(Nc3c(F)cc(c(c3)F)Br)=O)=O	3741
+C1CC1C(N2CC(CC2)CC(=O)NNC(Nc3ccc(c(F)c3F)Br)=O)=O	3741
+FC(F)(F)c1c(NC(NNC(=O)CC2CN(C(=O)C3CC3)CC2)=O)ccc(Br)c1	3742
+c1cc(ccc1Br)NC(=O)NNC(=O)CC2CN(C(=O)C3CC3)CC2	3742
+C1CC1C(N2CCC(C2)CC(=O)NN)=O	743
+C1CC1C(=O)N2CCC(CC2)C(O)=O	3
+c1ccccc1C(C)NC(C2CC2)CN	51
+C1CC1C(NC2COC3C(N)COC23)=O	18
+CCC(CC)Oc1cc(C(NC2COC3C(COC23)NC(C4CC4)=O)=O)ccc1	14
+c1cc(ccc1Oc2cccc(C(NC3C4OCC(C4OC3)NC(C5CC5)=O)=O)c2)OCC	14
+CC(C)(C)OC(=O)NNc1cc(CNC(C2CC2)=O)ccc1Cl	1609
+C1CC1c2oc(-c3c(N)ncc(Br)c3)nn2	3743
+c1cc(ccc1-c2nc(C3c4nnc(C5CC5)n4CCC3)n6c2c(ncc6)NCc7c(OC)cc(cc7)OC)C(=O)OC	6393
+C1CC1c2nnnn2-c3c(F)ccc(c3)[N+](=O)[O-]	6394
+C1CC1C(Nc2c(cnn3cc(cc23)-c4cc(ccc4)C=C)C(=O)N)C	550
+CC(C)(C)OC(NC1CN(CCC1)c2c3c(NC(C4CC4)=O)c[nH]c3ncc2OCC)=O	1610
+c1cc(ccc1)-c2noc(C)c2-c3oc(nn3)-c4ccc(cc4OC)N(C(C5CC5)=O)C	239
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)C3CC3)ccc2	17
+C1CC1C(Nc2nc3n(nc(Oc4ccc(Cl)c(NCc5cc(C)nn5C)c4)cc3)c2)=O	2586
+C1CC1C(Nc2nc3n(nc(cc3)Oc4ccc(c(N)c4)C)c2)=O	2586
+C1CC1C(Nc2nc3n(nc(Oc4ccc(F)c(N)c4)cc3)c2)=O	2586
+FC(F)(F)c1cc(Cl)c(cc1)NC(Nc2cc(N(c3nc4sc(NC(=O)C5CC5)nc4cc3)C)ccc2F)=O	124
+FC(F)(F)c1cccc(CNC(Nc2c(ccc(c2)Oc3ccc4nc(sc4n3)NC(C5CC5)=O)F)=O)c1	675
+C1CC1C(Nc2nc3n(nc(Oc4cc(NC(c5sc(C)nc5OC)=O)c(cc4)F)cc3)c2)=O	6395
+C1CC1C(Nc2nc3n(nc(Oc4cc(NC(c5cc(C)nn5CCOC)=O)c(cc4)F)cc3)c2)=O	187
+C1CC1C(=O)Nc2nc3ccc(Oc4cc(NC(=O)C5CCCC5)c(C)cc4)nn3c2	26
+C1CC1C(Nc2ncc3cc(-c4cc(ccc4C)NC(N5CCOC(CO)C5)=O)ccc3c2)=O	2016
+C1CC1C(Nc2ncc3c(ccc(-c4c(C)ccc(N)c4)c3)c2)=O	99
+C1CC1C(Nc2ncc3c(ccc(-c4c(cc(cc4)Cl)C)c3)c2)=O	11
+C1CC1C(c2c(O)c(Br)ccc2)C	564
+C1CN(CCN1c2ncc(c3ccccc23)[N+]([O-])=O)C(=O)C4CC4	10
+C1CN(CCN1C(OCc2ccccc2)=O)C(=O)C3CC3	10
+C1CC1C(NC2C3C(OC2)C(CO3)N=[N+]=[N-])=O	9
+FC(F)(F)c1ccc(-c2c(ncc(Br)c2)OC)c(c1)CN(CC)C(C3CC3)=O	10
+C1CC1C(=O)Nc2sc3nc(ccc3n2)Cl	373
+C1CC1C(=O)NNc2cnc3c(n2)cc(cc3)Br	355
+C1CC1C2Oc3cc(Cl)ccc3-c4c2cncc4	57
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C=2C(c3ccccc3)C(O)(ON=2)C4CC4	6396
+C1CC1C(Oc2cccc(c2)CCl)C	1331
+C1CC1C(Oc2cc(ccc2)CO)C	49
+C1CC1C(C(O)=O)Oc2c3c(cccc3)ccc2	3
+C1CC1C(c2cccc(Br)c2OCc3ccccc3)C	22
+C1CC1C(CC(=O)OC)c2cc(c(F)cc2)O	5
+C1CC1C(=O)c2cc3c4c(ccc3cc2)ccc(c4)Cl	155
+c1cc(ccc1C(=C(C=Cc2ccc(F)c(Oc3ccccc3)c2)F)C4CC4)Cl	6397
+C1CC1C(CC(=O)OC)c2cccc(c2)O	27
+C1CC1C(c2cnc3ccc(cc3c2Nc4ccc(nc4)NCCN(C)C)Br)=O	1332
+C1CC1C(=O)c2c(Nc3ccc(nc3)NCCN(C)C)c4cc(ccc4nc2)-c5cc(Cl)c(O)c(F)c5	99
+CC(C)COc1nc(CNc2ncnc(c2)C(CC(=O)OCC)C3CC3)ccc1-c4c(F)ccc(OC)c4	40
+CC(C)(C)[Si](C)(C)OC(c1nccs1)C2CC2	19
+C1CC1C(CC#N)n2cc(cn2)-c3nc(cc4n3c(cn4)Cl)-c5cn(C)nc5	6398
+C1CC1C(CC#N)n2ncc(-c3nc(-c4cn(C)nc4)cc5n3c(I)cn5)c2	6399
+CC(C)(CO)n1ncc(c1)Nc2nc(N3C(=O)C(C4CC4)(C#N)CC3)ccn2	486
+C1CC1C2(C(N(c3ccnc(Nc4ncc(cc4)C=5NC(ON=5)=O)c3)CC2)=O)C#N	834
+C1CC1C2(C3CC3)c4c(NC(O2)=O)ccc(-c5cc(C#N)cc(F)c5)c4	160
+C1CC1C2(C3CC3)OC(Nc4ccc(cc24)-c5cc(cc(c5)Br)F)=O	11
+FC(F)(F)CC(=O)Nc1ccc(cc1)Sc2nc(cc(N3CC(C3)(C4CC4)F)n2)Nc5n[nH]c(c5)C	3624
+C1CC1C2(CN(C2)c3cc(Nc4n[nH]c(c4)C)nc(S(=O)(=O)C)n3)F	528
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C4(NC(=O)COC4)C5CC5)c(F)cc3	2017
+C1CC1C2(c3c(ccc(c3)NC(=O)c4ccc(cn4)Cl)F)NC(=S)COC2	187
+C1CC1C(c2cc(Br)ccc2F)(CO)N	886
+C1CC1C2(c3c(ccc(c3)NC(=O)c4ccc(cn4)Cl)F)NC(=N)COC2	2518
+c1nc(ncc1)NC2C(C)C(N(c3c2cc(cc3)Br)C(=O)C)C4CC4	1333
+C1CC1C2N(c3ccc(cc3C(C2C)Nc4cccc(n4)C)-c5cn(nc5)CCOC)C(=O)C	340
+CC(C)(C)OC(NC(COc1cc2OC(C3CC3)c4c(ccnc4)-c2cc1)CC(C)C)=O	556
+c1cc(ccc1C(NCCCN(C)C)=O)N2C(C=3C(=N2)c4ccccc4NC=3C5CC5)=O	93
+C1CC1C(n2cc(cn2)-c3n4c(ncc4)cc(-c5cnn(C)c5)n3)CC#N	3744
+C1CC1CN2CCN(CC2)c3c(cccc3)Br	61
+CC(C)(C)OC(N(CC1CC1)C2CC2c3cc(C(=O)OC)ccc3)=O	6400
+CC(C)(C)OC(N1CCC(CC1)N2CCN(CC2)CC3CC3)=O	61
+C1CC1CN2CCc3c(ccc(Oc4ncc(-c5onc(n5)C)cc4)c3)CC2	61
+C1CC1C(c2cc3c(cc2)ccc4ccc(Cl)cc34)O	1482
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(N)ncnc4n(CC5N(CCC5)C(C(=CC6CC6)C#N)=O)n3)F	847
+C1CC1CN2Cc3c(nc(nc3N4C(C)COCC4)Cl)C2	61
+c1cc(ccc1)CN(Cc2ccccc2)C(C(O)C3CC3)C(=O)OCC	6401
+c1cc(ccc1-c2c3c(N)ncnc3n(CC4N(CCC4)C(C(=CC5CC5)C#N)=O)n2)Oc6cc(F)cc(c6)F	847
+c1cc(ccc1-c2nn(C3CN(CCC3)C(C(=CC4CC4)C#N)=O)c5ncnc(c25)N)Oc6c(cccc6)F	847
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6c(ccc(F)c6)F	847
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6cccc(F)c6	847
+C1CC1CN(CC2CC2)CCn3ccc4c3ccc(C#Cc5ncc(cc5)-c6ccc(cc6)Cl)c4	61
+Clc1cc(cc(Cl)c1)NC(N(CC2(CCN(CC2)CC3CC3)c4ccc(cc4)I)C)=O	61
+C1CC(CCN1CC2CC2)Oc3ccc(cc3)NC(=O)C4CN(C4)c5cnccc5	61
+c1ccccc1Oc2cc(c(cc2)-c3nn(CC4N(CCC4)C(C(=CC5CC5)C#N)=O)c6ncnc(N)c36)F	847
+FC(F)(F)c1cc(N(C(C)(C)C)CC2CC2)ccc1[N+]([O-])=O	936
+CC(C)(C)OC(=O)N1CC2(CN(CC2)c3ccc(cc3F)N4C(=O)c5c(cc(OCC6CC6)cc5)C=C4)CC1	8
+CC(C)(C)OC(=O)N1CCC(CC1)OCC2CC2	176
+CC(C)(C)OC(N1CCC=2C(COCC3CC3)(C1)Cc4cnn(c4C=2)-c5ccc(cc5)F)=O	176
+CC(C)(C)OC(NC1C(c2ccccc2)Oc3c(cccc3)N(CC4CC4)C1=O)=O	988
+CC(C)(C)OC(N(c1c(CC)nn2c(cccc12)Br)CC3CC3)=O	6402
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(=O)NC2=C(N(C(N(Cc3ccccc3F)C2=O)=O)CC4CC4)N	6403
+CC(C)(C)OC(N1CC(c2cc(OCC3CC3)ccc2C1)O)=O	8
+CC(C)(C)OC(N1CCC(CC1)CCc2noc3c(CO)c(ccc23)OCC4CC4)=O	8
+CC(C)(C)OC(NC(C)COC1CCN(CC1)c2oc3cc(OCC4CC4)ccc3n2)=O	8
+CC(C)(C)OC(=O)NC1C(=O)N(C(CCC1)c2ccccc2)CC3CC3	638
+CC(C)N1CCC(CC1)Oc2ccc3c(c2)cc4n3C(CN(C4=O)CC5CC5)C	3459
+C1CC1CN2CCN(c3sc(c(n3)C)C(OCC)=O)C2=O	1794
+FC(F)(F)COc1c(Cl)cc(C(CC2CC2)C(OCC)=O)cc1Br	3611
+FC(F)(F)Oc1ccc(cc1)CC(C#N)(C#N)CC2CC2	3745
+FC(F)(F)c1cccc(F)c1C(=N)NOCC2CC2	6404
+C1CC1Cn2c3c(c(Nc4cc(ccc4)C(=O)OC)n2)CN(CC3)C(=O)C	338
+C1CC1COc2c(ccc(C(OC)=O)c2)C=O	8
+C1CC1COc2c(OCOC)cccc2Br	8
+C1CC1COc2ccccc2[N+]([O-])=O	8
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(OC)c(S(=O)(=O)CC3CC3)c2	3398
+C1CC1COc2cc(c(OC)cc2Br)F	8
+C1CC1CN2C(c3ccc(cc3C=C2)Br)=O	6405
+C1CC1CN2C(Cc3c[nH]c4c3cc(Br)cc4)CCC2	28
+C1CC1COc2ccc(nc2)Br	458
+C1CC1COc2c(cc(cc2)C(C)=O)Br	8
+C1CC1COc2ccc3c(c2)cc(c(Cl)n3)C=O	8
+c1cc(ccc1CCN2C3(CCN(CC3)Cc4ccccc4)C(N(C2=O)CC5CC5)=O)OC	3284
+C1CC(CCN1CC2CC2)Oc3ccc(cc3)-n4cc(C(N5CCCC5)=O)cn4	28
+C1CC1COc2ccc(cc2)C(CN3C(=O)c4c(N(Cc5ccc(cc5)-c6c(C#N)cccc6)C3=O)sc(c4)CC)=O	8
+c1cc(ccc1OCC2CC2)I	8
+C1CC1Cn2nc(c(Cc3ccc(cc3)OC(C)C)c2C)OC4OC(C(C(O)C4O)O)CO	338
+c1ccccc1CN(Cc2ccccc2)CC(CN3CCN(CC3)CC4CC4)OC	2587
+c1ccccc1CN(Cc2ccccc2)CC(CN3CCN(CC3)CC4CC4)OC	28
+C1CC1CN2C=Cc3nc(SC)ncc3C2=O	6406
+C1CC1CC(NNc2nccc(I)c2Cl)=O	1296
+C1CC1CC(NNc2c(c(OCc3ccccc3)ccn2)C#N)=O	1296
+C1CC1CC(C#N)c2ccc(C(=O)C)nc2	1867
+C1CC1CC(C#N)c2cnc(cc2)C(C)(C)O	6407
+FC(F)(F)COc1cc(ncc1C2CC2)C(NC(CC3CC3)(C)C#N)=O	81
+c1ccccc1COC(=O)NC(C)(C#N)CC2CC2	101
+FC(F)(F)COc1cc(ncc1Cl)C(=O)NC(C)(c2nc(on2)C)CC3CC3	81
+C1CC1CC(CC2CC2)n3cc(-c4n5c(ncc5)cc(n4)-c6cnn(C)c6)cn3	2010
+C1CC1CC(c2nc(on2)C)(NC(=O)OCc3ccccc3)C	6408
+C1CC2(CCN1c3cnn4c(c3Cl)nnc4CC5CC5)C=Cc6ccccc26	6409
+C1CC1CC(NNc2c(Cl)c(N3CCC4(CC3)C=Cc5ccccc45)cnn2)=O	355
+C1CN(CCN1C(CC2CC2)=O)S(=O)(=O)c3cccc4ccccc34	10
+C1CC1CC(C)(c2nc(on2)C)N	102
+C1CC1CCN2c3ccccc3C(=O)C2=O	3200
+c1cc(ccc1C(C)C)NC(C2CCN(CC2)C(CCC3CC3)=O)=O	10
+C1CC1CCCCCCCCC(=O)OCC=Cc2ccc(cc2)C	2580
+C1CC1CCCCCCCCC(=O)Cl	130
+FC(F)(F)c1ccc(cc1C(N2CCN(CC2)c3ccc4nc(C(=O)NCCCC5CC5)cn4n3)=O)F	2588
+C1CC1CCNc2nc(c3c(n(cn3)C4OCCCC4)n2)N	96
+C1CC1CCNCc2ccc(c(c2)F)Oc3cc4c(cc3)C(OC(C)(C)O4)=O	42
+c1cc(ccc1C#N)C2C(=O)N(c3ncc(C(NCCC4CC4)=O)cc3)N=C2	56
+C1CC1CCNC(c2ccc(nn2)Cl)=O	81
+C1CC1CCN2c3ccccc3C(c4cc5c(cc4O)OCO5)C2=O	462
+C1CC1CCN2C(C(c3cc4OCOc4cc3O)(O)c5c2cccc5)=O	3746
+C1CN(CCN1)c2nnc(cc2)C(NCCC3CC3)=O	212
+c1cc(ccc1F)C(=O)C2CCN(CC2)c3nnc(C(NCCC4CC4)=O)cc3	212
+CC(C)(C)OC(N(CCC1CC1)Cc2ccc(c(F)c2)Oc3cc4c(cc3)C(OC(C)(C)O4)=O)=O	23
+C1CC1CCNc2nc3c(c(N)n2)nc(OC)n3C4CCCCO4	1010
+C1CC1CCOc2cc3c4c(ccc(Br)c4)ccc3cc2	20
+C1CC1CCOc2ccc(cc2)OC3C(=O)NCC3	20
+C1CC1CCOc2cc3c(cc2)ccc4ccc(cc34)CC(C)(C)O	2589
+C1CC1COc2ccc3cccc(NC(=O)C)c3c2	72
+C1CC1CN2CC(c3cccc(OC)c3)=CCC2	2480
+C1CC1COc2cc(F)c(c(c2)F)-c3c(C(=O)c4ccc(cc4Cl)F)c(nn3C)C	116
+CC(C)(C)OC(=O)NNc1cccc(C(=O)NCC2CC2)c1	14
+CC(C)(C)OC(NC(C)c1nc2c(c(C(NCC3CC3)=O)c1-c4ccccc4)cc(cc2)F)=O	14
+C1CC1CNc2c([N+]([O-])=O)cc(S(=O)(=O)C(C)C)cc2	205
+FC(F)(F)c1c(cnc(N)n1)CNCC2CC2	2590
+FC(F)(F)c1nc(ncc1C(=O)NCC2CC2)Nc3c(Cl)cc(cc3)Cl	484
+C1CC1CNc2ccnc(n2)N	40
+C1CC1CNS(=O)(=O)C	111
+c1cc(ccc1Cl)-c2ccc(nc2)C#Cc3cc4c(cc3)n(CCNCC5CC5)cc4	285
+O=S(=O)(c1ccccc1-c2cc(c(NC(=O)CNCC3CC3)cc2)F)C	1229
+C1CC1CNC(c2nccc(c2)Cl)=O	81
+C1CC1CN2C(Cc3c2ccc([N+]([O-])=O)c3)=O	1611
+C1CC1CNc2nc(C)nc(c2C)O	40
+C1CC1CNc2nccc3c2nc(nc3)Nc4ccc(cc4C)-c5cn(nc5)C	6410
+C1CC1CNc2cncc(Cl)n2	464
+C1CC1CN2C(c3c(cc(cc3)Br)C(C(OC)=O)=C2)=O	6411
+C1CC1CNCCN2C(=O)N3C(C)(C2=O)Cc4c([nH]c5ccc(OC)cc45)C3c6cc(ccc6)O	132
+c1cc(ccc1)Nc2ncc(c(n2)NCC3CC3)CC(C(OC)=O)c4ccc(cc4)OC	40
+c1cc(ccc1-c2cncc3ccc(C(=O)NCC4CC4)cc23)Cl	14
+c1cc(ccc1C(NCC2CC2)=O)-c3cc(ccc3C)-c4nnc(C)o4	93
+c1cc(ccc1COc2cccc(c2)CNCC3CC3)Cl	42
+c1cc(ccc1S(=O)(=O)Nc2c3c(nc(NC4c5c(CC4)cccc5)cc3)ccc2)NCC6CC6	60
+C1CC1CNc2c3ncn(C)c3nc(n2)Cl	516
+C1CC1CNc2nc(cnc2)-n3cnc4ccc(N)cc34	464
+C1CC1CN(C(N(N=O)CCCl)=O)C2OC(CO)C(C(O)C2O)O	2591
+C1CC1CN(c2nc(Cl)c(nc2)C=O)C	6412
+C1CC1CN(c2ncnc(C(=O)OC)c2)CCC	3671
+c1cc(ccc1NC(c2ncnc(N(CC3CC3)CCC)c2)=O)Cn4ccnc4	187
+c1ccccc1CN2Cc3c(OCC2)nc(N(CC4CC4)C)cn3	799
+C1CC1CN(c2cnc(c(Cl)n2)CN(CCO)Cc3ccccc3)C	879
+C1CC1CN(CCC)c2ncnc(C(=O)O)c2	1
+C1CC1CN2C(CO)=C(OCCCC)c3cc(ccc3C2=O)Br	3747
+C1CC1CN2C(NC(=O)C=C2NN=Cc3ccnc4ccc(cc34)Cl)=O	3748
+c1cc(ccc1)C2Oc3ccccc3N(C(=O)C2NC(C(NC(=O)Cc4cc(F)cc(F)c4)C)=O)CC5CC5	207
+C1CC1CN2C(=O)N(c3nc(c(C(NCc4ccccc4)=O)s3)C)CC2	454
+C1(=O)c2ccccc2C(=O)N1CC=3N(C(=O)c4ccc(cc4C=3OCCCC)Br)CC5CC5	3749
+C1CC1CN2C(=O)c3c(C(CO)=C2)cc(-c4c(ccc(C(NC5CC5)=O)c4)C)cc3	6413
+C1CC1CN2C(=C(c3cc(Br)ccc3C2=O)OCCCC)C(O)=O	108
+C1CC1CN2c3ccccc3-c4ccccc4C(NC(=O)C(C)(F)C(O)=O)C2=O	3
+C1CC1CN2C(=O)c3c(C(OCCCC)=C2CCl)cc(cc3)Br	3750
+C1CC1CN2c3c(cc(cc3)N)CC2=O	0
+C1CC1CN2c3nn(Cc4c[nH]c5ccc(cc45)C)c(-c6cc(cn6C)C(=O)O)c3C(=O)N(C)C2=O	3751
+C1CC1CN2C(=CC(=O)NC2=O)NN	2592
+CC(C)N1CCCN(CC1)CC=2c3cc(-c4c(ccc(C(NC5CC5)=O)c4)C)ccc3C(N(CC6CC6)C=2)=O	85
+C1CC1CN2C=C(C(OC)=O)c3c(C2=O)ccc(c3)-c4cc(C(NC5CC5)=O)ccc4C	99
+C1CC1CN2C=C(c3cc(Br)ccc3C2=O)C=O	3752
+c1ccccc1COc2c3c4c(cc2)CC5N(CCC46C(C(O)CCC56O)O3)CC7CC7	22
+C1CC1CN2C(=O)c3ccc(cc3C(C(O)=O)=C2)-c4cc(C(NC5CC5)=O)ccc4C	127
+c1cc(ccc1N2CCN(CC2)C)Nc3nc4c(C(=O)N(C=C4Br)CC5CC5)cn3	1334
+C1CC1NC(=O)c2ccc(c(-c3ccc4c(C(=CN(C4=O)CC5CC5)C=O)c3)c2)C	99
+C1CC1NC(c2cc(F)c(c(-c3cc4c(cc3)C(=O)N(C=C4C=O)CC5CC5)c2)C)=O	99
+C1CC1CN2CC(CC2)COS(=O)(=O)C	710
+C1CC1CN2C3Cc4c5C6(CC2)C3(CCC(O)C6Oc5c(cc4)O)O	100
+n1cc(cnc1C(=O)N2CCN(CC2)CC3CC3)B(O)O	6414
+CC1(C)CC(CC(C)(C)C1)(O)c2c(N3CCN(CC3)CC4CC4)cccc2	251
+C1CC1CN2C(=O)N(CC2)c3sc(c(n3)C)C(O)=O	6
+c1cc(ccc1-c2nc(N3CCOCC3C)c4c(CN(C4)CC5CC5)n2)NC(NCCC)=O	261
+CC(C)(C)OC(NCC(CNc1cc2c(cc1)N(CC3CC3)C(=O)C2)O)=O	843
+C1CC1CN2C(C(c3c(cccc3)-c4ccccc24)NC(C(C(=O)OCC)(F)C)=O)=O	6415
+FC(F)(F)C(F)(F)CCNC(C(C)(F)C(NC1C(N(c2c(-c3c1cccc3)cccc2)CC4CC4)=O)=O)=O	3543
+C1CC1CN2c3nn(c(-c4n(C)cc(c4)C(NC)=O)c3C(=O)N(C)C2=O)Cc5c[nH]c6ccc(cc56)C	56
+c1cc(ccc1-c2nc(NCC3CC3)sc2)Br	354
+c1cc(ccc1NC(NCC2CC2)=O)C(O)=O	6
+c1cc(ccc1[N+]([O-])=O)Oc2ccnc(C(=O)NCC3CC3)c2	242
+C1CC1CN(CC)Cc2nnc3CN=C(c4c(ccc(c4)F)-n23)c5ccccc5F	894
+C1CC1CN(CC2CC2)c3c(C#N)cc4nc(C)n(C)c4n3	43
+C1CC1CN(CCC)C(c2n(C)nc3c(cccc23)-c4ccc(cc4Cl)Cl)=O	3753
+C1CC1CN(CCC)c2nc(nc(C(=O)OC)c2)Cl	54
+C1CC1CN(c2ccnc(Cl)n2)S(=O)(=O)C	6416
+CC(C)(C)c1c(N2CCN(CC2)C(CCC(NS(=O)(=O)NCC3CC3)=O)=O)cccc1	344
+CC(C)S(=O)(=O)c1ccc(NCC2CC2)c(c1)N	0
+C1CC1CNc2nc(nc3n(cnc23)C)NC(CO)CC	96
+C1CC1CNc2c(cnc(N)n2)I	1154
+C1CC1CN(C)c2cncc(Cl)n2	6417
+CC(C)(C)c1cc(c(S(C)=O)cc1)NC(=O)c2cc(-n3nnc(-c4cnc(NCC5CC5)cc4)c3)c(cc2)C	67
+C1CC1CNc2ncc(cc2)-c3nnn(c3)-c4c(C)ccc(C(=O)O)c4	3754
+C1CCC(C1)NS(=O)(=O)c2cc(cc3c2ccc(OCC4CC4)n3)-c5c(noc5C)C	1155
+FC1(F)CN(C1)c2ccc(nc2OCC3CC3)C(=O)OC	91
+FC1(F)CN(C1)c2c(OCC3CC3)nc(cn2)C(=O)O	1335
+C1CC1COc2nccc(c2)OC3CN(C3)c4ccc(cc4)C(NC(C)=O)C	430
+FC(F)(F)COCc1cc(COCC2CC2)nc(Cl)n1	2404
+C1(=O)CCC(=O)N1OC(OCC2CC2)=O	6418
+C1CC1COc2cc(Br)cc(Br)c2	20
+C1CC1COc2c(cc(cn2)C(O)=O)Br	91
+C1CC1COc2c(Cl)cc(Br)cn2	91
+C1CC1COc2c(C#N)cc(cc2)Br	57
+C1CC1COc2c([N+](=O)[O-])ccc(F)c2	57
+c1cc(ccc1-c2c(OCC3CC3)ncc(C(=O)O)c2)Cl	91
+C1CC1COC(=O)Oc2ccc(cc2)[N+]([O-])=O	405
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2n3ncc(cc3nc2)-c4cnn(C5(CN(C5)C(=O)OCC6CC6)CC#N)c4	1011
+C1CC1CONC(=O)C2=CN(C(=O)C=C2Nc3ccc(Br)cc3F)C	3527
+C1CC1CONC(c2c(Nc3c(C)cc(Br)cc3)c(c4ncn(CCCC(CO)O)c4c2)F)=O	3755
+C1CN(CCN1C)CCCCn2cnc3c(c(c(C(NOCC4CC4)=O)cc23)Nc5c(C)cc(cc5)Br)F	61
+C1CC1CONC(c2c(Nc3c(C)cc(Br)cc3)c(c4c(n(cn4)CCCC=O)c2)F)=O	1156
+c1cc(ccc1)S(=O)(=O)C(=Cc2cc(-c3ncn(C)c3-c4ccc(cc4OCC5CC5)F)ncc2)C#N	2593
+C1CC1COc2cc(ccc2-c3n(C)cnc3-c4nccc(CO)c4)F	49
+C1CCN(C1)c2ccc(C(=O)O)nc2OCC3CC3	244
+C(C)C(CC)(NC(=O)c1ccc(Br)c(OCC2CC2)n1)C(=O)OCC	1008
+C1CC1c2ccc(nc2OCC3CC3)C(O)=O	940
+CC1(C)OB(OC1(C)C)c2cc(c(OCC3CC3)cc2)C#N	17
+C1CC1COc2ccc(S(=O)(=O)CC)cc2C3=CN(C(C(=C3)OC(F)F)=O)C	6419
+FC(F)(F)COC=1C(=O)N(C=C(c2c(OCC3CC3)ccc(S(=O)(=O)CC)c2)C=1)C	6420
+C1CC1COc2c(cc(C(=O)OC)cn2)Cl	6421
+C1CC1COc2c(nc(cc2)C(NC3(COC3)CC(N)=O)=O)Cl	81
+C1CC1COc2c(OC)ccc(-c3cccc4C(CCc34)=O)c2O	241
+C1CC1COc2c(cccc2I)OCOC	3756
+C1CC1COc2cc(C3(CCCC3)C(OCC)=O)ccc2N	0
+C1CC1COc2cc(ccc2[N+](=O)[O-])CC(OCC)=O	976
+C1CC1COc2c(Cl)cc(cn2)C(=O)O	1
+CC1(C)C(C)(C)OB(O1)c2cc(C(C)=O)ccc2OCC3CC3	17
+C1CC1COc2ncc(cc2Br)C(NC3C(O)CCCC3)=O	56
+C1CC1COc2cc(ccc2C=O)C(O)=O	1
+C[Si](C)(C)CCOCn1c(c(C(=O)OCC)c2c1c(ncn2)-c3c(OCC4CC4)cc(cc3)F)C	6422
+C1CC1COc2c(I)cccc2O	241
+C1CC1COc2cc(cc(Br)c2)Sc3cc(c(cc3)OCC(=O)OCC)C	1336
+C1CC1COc2cc(ncc2)CS(c3nc4c(cc(F)cc4)[nH]3)=O	172
+C1CC1COc2cc(Sc3ccc(OCC(=O)O)c(C)c3)cc(C#CCN4CCOCC4)c2	3
+CC1(C)OB(OC1(C)C)c2c(cc(c(OC)c2)F)OCC3CC3	585
+C1CC1COc2cc(Sc3ccc(OCC(=O)OCC)c(C)c3)cc(C#CCN4CCOCC4)c2	197
+C1CC1COc2c(-c3c(-c4nccc(C=O)c4)ncn3C)ccc(c2)F	39
+C1CC1COc2c(C=NOC)ccc(c2)C(O)=O	135
+C1CC1COc2cc(ccc2[N+](=O)[O-])CC(OCC)=O	27
+C1CC1COc2cc(ccc2[N+](=O)[O-])CC(O)=O	3
+C1CC1COc2cc3c(nc(c(CO)c3)NCCNC(C)=O)cc2	269
+C1CC1COc2c(C#N)cc(-c3ccnc(Nc4cn[nH]c4)c3)cc2	6423
+c1cc(ccc1S(=O)(=O)Cl)OCC2CC2	895
+C[Si](C)(C)C#Cc1ccc(cn1)OCC2CC2	961
+CC(C)(C)OC(=O)NC(C)COc1ccc(cc1)C#Cc2ncc(cc2)OCC3CC3	129
+C1CC(CCC1OCC(C)O)c2cc3ccc(OCC4CC4)cc3o2	100
+C1CC(CCC1c2cc3ccc(OCC4CC4)cc3o2)OCC(C)N=[N+]=[N-]	298
+C1CC1COc2ccc3cccc(N)c3c2	106
+C1CC1COc2ccccc2NS(=O)(=O)C	80
+O=S(=O)(C)Nc1c(OCC2CC2)cc(cc1)[N+]([O-])=O	31
+C1CC1COc2ccccc2N	0
+C1CC1COc2cc(CSc3nc4c(cc(F)cc4)[nH]3)ncc2	602
+C1CC1COc2ccc(cn2)OC3C(N(c4cc(F)c5CCC(O)c5c4F)CC3)=O	654
+c1cc(ccc1-c2c(ncc(C(=O)NC3CCCCC3O)c2)OCC4CC4)C#N	89
+C1CC1Cc2c(-c3nc(ncc3)S(C)=O)cnc(N)n2	172
+C1CC1Cc2c(OCCCOc3c(CCC)c4c(cc3)CCC(CCC(=O)OCC)O4)ccc(C(=O)NC)c2OC	297
+C1CC1Cc2c(O)c(ccc2O)C(=O)NC	513
+C1CC1Cn2c3c(nc2Cc4ccc(cn4)OCC)cc(C#N)cc3	788
+CC(C)(C)OC(=O)NC1C(CCN(C1)C(c2cc(c3c(c2)nc(-c4cc5cccnc5n4CC6CC6)n3C)OC)=O)O	30
+C1CC1Cn2c(cc3cccnc23)-c4nc5c(c(cc(C(=O)O)c5)OC)n4C	1
+C1CCN(C1)C(c2ccc3c(nc(n3CC4CC4)Cc5ccc(cn5)OCC)c2)=O	30
+C1CC1Cn2c3c(c(Nc4cc(C(O)=O)ccc4)n2)CN(CC3)C(=O)C	1
+CC(C)(C)OC(NC1CN(C(=O)c2cc(c3c(c2)nc(-c4cc5cccnc5n4CC6CC6)n3C)OC)CCC1)=O	2594
+CC(C)(C)OC(NC1CN(CCC1)C(=O)c2ccc3c(c2)nc(-c4cc5c(nccc5)n4CC6CC6)n3C)=O	2594
+C1CC1Cn2c(cc3cccnc23)-c4nc5cc(C(OC)=O)cc(c5n4C)OC	2594
+C1CC1Cn2c(nc3cc(ccc23)C(O)=O)Cc4ccc(cn4)OCC	872
+C1CC1Cn2nc(OC3C(O)C(O)C(C(O3)COC(OCC)=O)O)c(Cc4ccc(cc4)OC(C)C)c2C	405
+C1CCC(C1)Nc2cc(Cl)cc3c(c(-c4ccc(cc4)OC)nn23)-c5ccnc(NC6CC6)n5	306
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(s4)-c5cn(CCN6CCCC6)nn5)ncc3	1337
+C1CC1NC2CCN(CC2)c3ncc(C)nc3	87
+C1CC1NC2CCN(CC2)c3ncc(nc3)CC	87
+C1CN(CCC1NC2CC2)c3onc(n3)C(C)C	87
+C1CN(CCN1C)c2c(c(NC3CC3)c([N+]([O-])=O)c(c2F)Cl)C	60
+C1CN(CCN1C)c2c(cc(c(c2CC)NC3CC3)[N+]([O-])=O)F	60
+C1CC1NC(=O)c2cnc(N3CCN(CC3)Cc4cc5NC(=O)C6CCCN6c5nc4)cc2	56
+C1CN(CCO1)c2c3ncc(cc3nc(Cl)n2)-c4ccc(cc4)C(NC5CC5)=O	14
+CC(C)(C)NS(=O)(=O)c1cc(S(=O)(=O)NC2CC2)ccc1	71
+CC(C)(C)OC(CNC1CC1)=O	1459
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(Oc4ccc(cc4F)NC(NC5CC5)=O)c3s2)cc1)CCOC	675
+CC(C)(C)OC(=O)N1C(CCCC1)CCOc2c3c(cc(c(NC(NC4CC4)=O)c3)Cl)nc(O)c2-c5cc(C)cc(C)c5	675
+CC(C)(C)OC(=O)N1CCC(CC1)CCOc2c(cc3c(c2)nccc3Oc4ccc(c(Cl)c4)NC(NC5CC5)=O)C#N	1337
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cc3c(c(Oc4ccc(c(F)c4)NC(NC5CC5)=O)ccn3)cc2C#N	238
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)C(C)C(NC3CC3)=O	9
+CC(C)(C)OC(=O)CC(CCCC1CCCCC1)c2onc(n2)CNC3CC3	6424
+CC(C)(C)OC(N(C)C1c2c(C(c3ccc(c(Cl)c3)Cl)CC1)ccc(C(=O)NC4CC4)c2)=O	14
+CC(C)(C)OC(N1CC(F)(C(Cc2ccccc2)C1)CNC3CC3)=O	110
+CC(C)(C)OC(N1Cc2c(CC1)nc(nc2)NC3CC3)=O	435
+CC(C)(C)OC(=O)NC1CCN(c2ccc(C(OCC)=O)c(NC3CC3)c2F)C1	60
+CC(C)(C)[Si](C)(C)OCc1cc(c2c(cccn2)c1)CNC3CC3	249
+CC(C)(C)c1nc(NC2CC2)c3cc(I)ccc3n1	40
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)NC3CC3)ccc2C	2595
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(=O)NC3CC3	14
+CCN(CC)CC(O)COc1cc2nccc(Oc3ccc(c(Cl)c3)NC(NC4CC4)=O)c2cc1C#N	1337
+C1CC1NC=C(C(c2c(cc(F)c(c2C)F)F)=O)C(OCC)=O	2018
+C1CC1NC=C(C(=O)c2c(cc(c(c2)F)C=3CCN(CC=3)C(C)=O)F)C(=O)OCC	2018
+C1CC1NCC(=O)OCC	1459
+C1CC1NC=C(C(OCC)=O)C(c2c(c(c(F)c(F)c2)C#N)F)=O	6425
+C[Si](C)(C)CCOC(=O)c1cccc(S(=O)(=O)NC2CC2)c1	71
+C1CC1NC(c2ncc(OCc3c(C)onc3-c4ccccn4)cc2)=O	81
+C1CC1NC(c2nnc(OCc3c(noc3C)-c4cccc(F)c4)cc2)=O	780
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ccc(CN6CCOCC6=O)cn5)s4)ncc3	675
+ClC(Cl)=C1C2CCC1c3c2cccc3CNC4CC4	42
+C1CC1NCc2c(Cl)cc(cc2)Cl	42
+C1CC1Nc2c(cc(cc2)Cl)[N+](=O)[O-]	205
+Clc1nc(nc(Cl)n1)NC2CC2	387
+C1CC1NCc2nc(Cl)ncc2	1279
+FC(F)(F)C1(O[Si](CC)(CC)CC)CC2CCCc3c(cc4c(n(nc4)-c5ccc(cc5)F)c3)C2(CC1)C(NC6CC6)=O	9
+FC(F)Oc1c(c(c(c(c1F)F)[N+](=O)[O-])C(=O)C(=CNC2CC2)C(=O)OCC)F	2018
+C1CC1NC(c2ccc(Cn3c(c(c(n3)C)-c4cc(c(C#N)cc4)Cl)C)cn2)=O	81
+C1CC1NC(=O)C=2C(=O)c3c(N(c4cccc(Br)c4)N=2)nccc3	6426
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5cn(cn5)CC(OCC)OCC)s4)ncc3	1337
+C1CC1NC(c2ccccc2N)=O	1338
+C1CC1NCc2cc(C=CCOC)c(c(Br)c2)C	42
+C1CC1NCc2c(Cl)ccc(c2)CCNC(C)=O	42
+O=S(=O)(NC1CC1)c2c(Cl)ccc(c2Cl)[N+](=O)[O-]	71
+O=S(=O)(c1cc(ccc1F)[N+]([O-])=O)NC2CC2	71
+C1CC1NS(=O)(=O)c2c(OC)ccc(Oc3c(cc(cc3Cl)CC4C(=O)NC(=O)S4)Cl)c2	71
+O=S(=O)(c1ccc(cc1)C)n2c3c(c(nc(n3)Cl)NC4CC4)c(c2)I	974
+C1CC1NC(c2cc([N+]([O-])=O)c([N+]([O-])=O)cc2Cl)=O	14
+C1CC1Nc2cc(c(cc2[N+](=O)[O-])F)F	60
+C1CC1N2c3c(cc(cc3F)[N+]([O-])=O)CC2=O	1611
+C1CC1Nc2c([N+](=O)[O-])cccc2	60
+C1CC1Nc2cc(nc3ccnn23)Cl	1005
+C1CC1Nc2c(F)c(N3CCN(CC3)C)c(c(F)c2[N+]([O-])=O)F	60
+C1CC1Nc2c([N+](=O)[O-])ccc(c2Br)F	60
+C1CC1NC(=O)c2cccc3sc(cc23)-c4nc(ncc4Br)Cl	14
+C1CC1NCc2ccc(cc2OC(CC=C)C)C	42
+c1(cccc(F)c1N2C(=O)C=Cc3c(nc(NCCCN(CC)CC)nc23)-c4cccc(C(=O)NC5CC5)c4C)F	14
+C1CC1Nc2c(cnc3n(ncc23)CC)C(OCC)=O	1594
+c1c(F)c(c(cc1)F)N2c3nc(NCCCN(CC)CC)nc(-c4cc(ccc4)C(=O)NC5CC5)c3C=CC2=O	14
+C1CC1NC(=O)Nc2ccc(I)cc2F	2595
+C1CC1Nc2cc(C#N)ccc2[N+]([O-])=O	60
+C1CC1NC(=O)c2c(ccc(Br)c2)Cl	14
+C1CC1NCCN2C(=O)C3(N(C2=O)C(c4cc(ccc4)O)c5[nH]c6ccc(OC)cc6c5C3)C	132
+C1CC1NC(c2cnn3ccc(nc23)N4C(c5cc(cc(OCCOC)c5)F)CCC4)=O	1339
+c1cc(ccc1)CC(NC(c2cccnc2-c3nc(sc3)-c4ccccc4)=O)C(O)C(NC5CC5)=O	9
+C1CC1NC(Nc2ccc(cc2)Oc3ccnc(NC(CCC)=O)c3)=O	238
+C1CC1NC(=O)Nc2cccc(c2)C(=O)c3c4c(ncnc4N)n(C5CCCC5)c3	238
+c1cc(ccc1)Oc2ccc(CNC(c3ccc(nc3N)NC4CC4)=O)s2	70
+c1cc(ccc1C(NC2CC2)=O)-c3oc(nn3)-c4c(noc4C)-c5ccccc5	6427
+c1cc(ccc1Br)CC(=O)NC2CC2	9
+c1cc(ccc1C(NC2CC2)=O)-c3nc(N)sc3	14
+c1cc(ccc1C(OCC)=O)-c2cc(-c3ccc4C(C)(C)CCC(C)(C)c4c3)c(cc2)OCCCNC5CC5	1918
+c1cc(ccc1CNC2CC2)C#C	42
+C1CC1Nc2c3cc(ccc3ncn2)-c4ccc(cc4)F	40
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4ccnc(n4)NC5CC5)C	435
+c1cc(ccc1C(c2ccc(cc2)F)CCNC3CC3)F	110
+c1cc(ccc1)CC(C(C(NC2CC2)=O)O)NC(c3c(-n4cc5ccccc5n4)nccc3)=O	9
+c1cc(ccc1)OC(NC2CC2)=O	101
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(CCN6C(CCC6)=O)cc5)s4)ncc3	1337
+C1CC1NC(Nc2c(Cl)cc(cc2)Oc3ccnc4cc(OCCOC)c(C(=O)OC)cc34)=O	238
+c1ccccc1S(=O)(=O)c2n[nH]c3c2cc(cc3)OCCNC4CC4	463
+C1CC1Nc2ncc(cc2)C#N	340
+C1CC1N2CCn3nc(cc3C2)[N+](=O)[O-]	6428
+C1CC1NC(=O)c2ccc(C)c(-c3cc4cnnc(C#N)c4cc3)c2	513
+C1CC1Nc2ncccc2C(Nc3c(nccc3C)OC)=O	70
+C1CC1N(C)Cc2c(ccc(C#Cc3ccc(cc3)CC(=O)OC)c2)C(=O)OC(C)C	129
+C1CC1N(C)Cc2c(ccc(C#Cc3ccc(cc3)CC(=O)O)c2)C(=O)OC(C)C	4
+C1CC1N(Cc2cccc(c2Cl)Cl)C(CC(N)CO)=O	102
+CC(C)(C)OC(=O)N(C(CO)CC(=O)N(C1CC1)Cc2cccc(c2Cl)Cl)CCC(=O)OC	23
+C1CC1N(Cc2cccc(c2Cl)Cl)C(CC(CO)NCCC(=O)OC)=O	1340
+C1CC1N(C(=O)C)Cc2nc(ncc2)NC(C)c3cc4cc(ccc4nc3O)Cl	96
+C1CC1N(c2cc(ccc2)NC(c3cc(C(C)(C)C#N)ccc3)=O)c4nc5c(nc(s5)NC(C)=O)cn4	67
+C1CC1N(c2cccc(C#N)c2Cl)C(c3cc(N4C(=O)Nc5c(c(C(=O)OC)sc5)C4=O)c(s3)Cl)=O	160
+C1CC1N(c2cccc(C#N)c2Cl)C(c3cc(c(s3)Cl)N4C(Nc5c(c(sc5)C(=O)O)C4=O)=O)=O	1
+C1CC1N(c2cccc(C#N)c2Cl)C(c3cc(N4C(=O)Nc5c(c(sc5)C(=O)N)C4=O)c(s3)Cl)=O	6429
+C1CC1Nc2c3ncc(n3nc(Nc4cc(C#N)cc(C(CCO)C)c4Cl)n2)C#N	6430
+O=S(=O)(c1ccc(cc1)C)OC=2C=3C(N(C4CC4)C(=O)N(c5cccc([N+](=O)[O-])c5)C=3N(C)C(C=2)=O)=O	6431
+C1CC1N2C(=O)COC3(CCN(CC3)C(CC(N)=O)c4ccc(cc4)-c5ccc6cccnc6c5)C2	83
+C1CC1N2C(=O)COC3(CCN(CC3)C(CC(O)=O)c4ccc(cc4)-c5ccc6cccnc6c5)C2	4
+C1CC1N2C(=O)N(Cc3ccc(c(Br)c3)C(F)(F)P(O)(O)=O)C(c4ccc(cc4)S(=O)(=O)C)=C2	228
+C1CC1N2C(N(N)C(=O)c3c2cc(F)c(F)c3)=O	6432
+C1CC1N2C(C(Nc3c(-c4nnn(C)n4)c(ncn3)N)C)=Cc5c(c(Cl)ccc5)C2=O	2596
+CC(C)(C)OC(NC1CN(c2c(F)cc3c(N(C4CC4)C(=O)N(N)C3=O)c2)CC1)=O	34
+CC(C)(C)OC(=O)NC(C1CN(c2c(C)c3c(C(N(N)C(=O)N3C4CC4)=O)cc2F)CC1)c5occn5	37
+CC(C)(C)OC(NCc1cc2nc(n(CCC(C)C)c2cc1)CN3c4ccccc4C(=O)N(C5CC5)C3=O)=O	2597
+CC(C)CCn1c2ccc(C(=O)OC)cc2nc1CN3c4ccccc4C(=O)N(C5CC5)C3=O	2597
+C1CC1N2C(C(Nc3c(-c4nc(on4)C)c(ncn3)N)CC)=Nc5cccc(Cl)c5C2=O	40
+C1CC1N2C(c3c(Cl)cccc3N=C2C(C)Nc4c(-c5noc(n5)C)c(ncn4)N)=O	40
+C1CC1N2C=C(C(c3cc(c(N4CCNC(C4)c5ccco5)cc23)F)=O)C(=O)O	202
+C1CC1N2C=C(C(c3c2cc(c(F)c3)N4CC(CCC4)(O)CNCC)=O)C(=O)O	34
+C1CC1N2c3c(c(N4CCNC(C4)C)c(F)c(N)c3C(C(C(O)=O)=C2)=O)OC(F)F	34
+C1CC1N2c3c(c(c(F)cc3C(C(C(O)=O)=C2)=O)N4CCCC(NC(C)=O)C4)OC	57
+CC(C)(C)OC(=O)N1CCN(c2c(c3N(C=C(C(c3cc2F)=O)C(O)=O)C4CC4)OC)CC1C	23
+C1CC1N2C=C(C(c3cc(F)c(N4CC(c5ccco5)N(C)CC4)cc23)=O)C(=O)O	113
+C1CC1N2c3c(C#N)c(c(cc3C(C(=C2)C(=O)OCC)=O)F)N4CC5NCCCC5C4	34
+C1CC1N2CCC(CC2C)Nc3nc(-c4cc(ccc4Cl)OCC5OC5)nc(-c6c(C)noc6C)c3C	2598
+CN(C)CC(O)COc1cc(-c2nc(c(c(-c3c(C)noc3C)n2)C)NC4CCN(C5CC5)C(C4)C)c(Cl)cc1	170
+C1CC1N2CCN(c3ccccc23)C(c4cnccc4Oc5c(cc(OCC(=O)OCC)c(c5)Cl)Cl)=O	52
+C1CC1N2CCN(C(c3cnccc3Oc4c(cc(O)c(c4)Cl)Cl)=O)c5ccccc25	2599
+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4c(cnc(CN5CCN(CC5)C6CC6)c4)nc3)C)cccc1	2019
+FC(F)Oc1cc(ccc1[N+]([O-])=O)N2CCN(CC2)C3CC3	34
+C1CN(CCN1c2nnc(cc2)-c3cc(ccc3)[N+]([O-])=O)C4CC4	212
+C1CN(CCN1c2nc3c(ccc(C#N)c3)o2)C4CC4	2600
+C1CC1N2CCc3cc(ccc3CC2)N	0
+C1CC1N2CCc3c(CC2)ccc(Nc4nc(c(cn4)F)NC5CCCN(C(C=C)=O)C5)c3	55
+C1CC1N2CCn3c(C2)cc(NC4=CC(=CN(C4=O)C)Br)n3	523
+C1CC1N2CCn3nc(cc3C2)N	161
+C1CC1N2c3cc(c(F)c(C)c3C(=O)C(C(=O)O)=C2)F	108
+CC(C)(C)OC(NCC(CNc1cc2c(c(F)c1)N(C(=O)C2)C3CC3)O)=O	843
+C1CC1N2C=C(C(c3c2c(c(F)c(F)c3C=C)F)=O)C(=O)O	108
+C1CC1N2C=C(C(c3c2c(c(c(F)c3N)F)OC(F)F)=O)C(O)=O	108
+C1CC1N2C(N(N)C(c3cc(c(N4CC(CC4)C(N)c5occn5)c(C)c23)F)=O)=O	34
+C1CC1N2c3c(cc(c(c3Cl)F)F)C(=O)C(C(=O)NCc4c(Cl)cc(cc4)Cl)=C2	3757
+C1CC2(CCN1c3c(F)cc4c(N(C5CC5)C=C(C(=O)NCc6c(Cl)cc(cc6)Cl)C4=O)c3Cl)CNC(C2)=O	34
+C1CC1N2c3c(CC2=O)cc(N)cc3F	0
+C1CC1N2CCN(C(c3cnccc3Oc4c(cc(c(Cl)c4)Br)Cl)=O)c5ccccc25	3758
+C1CC1N2c3cc(c(c(C)c3C(C(C(=O)O)=C2)=O)F)N4CC(NCC4)C	34
+CC(C)(C)OC(=O)N(C)C(Cc1ccccc1)CNC(=S)NC2CC2	1832
+C1CC1Nc2[nH]c3c(c(Br)c(Cl)c(Cl)c3)n2	3759
+C1CC1N2C(NC(=O)c3c2c(C)c(I)c(F)c3)=O	6433
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(s4)-c5cn(CC=O)cn5)ncc3	598
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ccc(cn5)CN(C(C)COC)C(=O)C)s4)ncc3	319
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(cc5)CN6CCN(CC6)C(CNC)=O)s4)ncc3	402
+C1CN(CCN1Cc2ccc(-c3sc4c(nccc4Oc5ccc(cc5F)NC(=O)NC6CC6)c3)nc2)CCF	123
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(CNC(COC)C)cc5)s4)ncc3	249
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncn(c5)CCN6CCN(CC6)C)s4)ncc3	61
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(s4)-c5ccc(C=O)cn5)ncc3	6434
+C1CC1NC(=O)c2c(cc(c(c2)N)N)Cl	0
+ClC(Cl)(Cl)c1[nH]c2cc(Cl)c(cc2n1)C(=O)NC3CC3	6435
+C1CC1NCc2c(ccc(c2)Br)Cl	162
+C1CN(CCN1C)CCOc2cc(ccc2)C(c3cnn(c3N)-c4cc(ccc4C)C(=O)NC5CC5)=O	28
+c1cc(ccc1OCCOc2cc(C(c3cnn(-c4c(ccc(C(NC5CC5)=O)c4)C)c3N)=O)ccc2)Cl	8
+O=S(=O)(c1nc2c(cn1)C=C(c3cc(C(=O)NC4CC4)ccc3C)C(=O)N2C)C	528
+CC(C)(C)C(NC(c1ccc(-c2cc(cc(c2C)F)C(NC3CC3)=O)nc1)=O)C	140
+CC(C)(C)OC(=O)n1ncc2cc(ccc12)-c3cc(C(NC4CC4)=O)cc(F)c3C	11
+C1CC1NC(=O)c2cc(c(c(c2)N3C=CNC(=NC(C)(C)c4c(SCCOCc5ccccc5)cccc4)C3=O)C)F	6436
+C1CC1NC(=O)c2cc(c(cc2)C)N3C=Cc4ccc(cc4C3=O)O	5
+CC(C)(N=C1NC=CN(c2c(C)c(cc(C(=O)NC3CC3)c2)F)C1=O)c4c(SCCO)cccc4	118
+C1CC1NC(=O)c2cc(c(cc2)C)N3C=Cc4ccc(cc4C3=O)OCCN5CCCOCC5	53
+C1CC1NC(c2ccc(c(N3C(c4cc(ccc4N=C3)OCC5NCCC5)=O)c2)C)=O	6437
+CC1(C)C(=O)N(C)c2c(N(C1)C3CC(F)(F)CC3)nc(nc2)Nc4ccc(cc4OC)C(NC5CC5)=O	55
+C1CC1CN2C(c3c(C(CN4CCCNCC4)=C2)cc(-c5c(ccc(C(NC6CC6)=O)c5)C)cc3)=O	2601
+CC(C)(C)OC(=O)N1CCC(CC1)(CCNc2ncc(Br)c(-c3cc4c(cccc4C(NC5CC5)=O)s3)n2)C	96
+C1CC1NC(=O)c2n[nH]c3CCN(Cc23)c4c5cc(c(cc5nnc4)CC)OC	3760
+C1CC1NC(=O)c2nnn(c2CCCOS(=O)(=O)C)-c3ccc(cc3)C(=O)NCC	7
+c1cc(ccc1-n2nnc(c2CCCN3C(c4c(cccc4)C3=O)=O)C(=O)NC5CC5)C(=O)NCC	896
+C1CC1NC(c2sc3nc(c(c(C)c3c2N)Cl)OCC)=O	3761
+C1CC1NC(=O)c2nc3cccnc3n2-c4cc(F)c(cc4)Cl	6438
+CC(C)(c1n(C2CC2)c(nn1)C3CC3)c4sccc4	3762
+C1CC(CCC1CN(c2ncc(cn2)Br)C)C(=O)N(CCN(C)C)C3CC3	6439
+C1CC1NC(C=2C(c3cccnc3N(c4cc(C#Cc5ccc[n+]([O-])c5)ccc4)N=2)=O)=O	103
+C1CC1NC(c2c(c3c(s2)nc(c(Cl)c3C)OC)N)=O	3763
+C1CC1Nc2nc(O)c(C#N)c(n2)-c3cccnc3	6440
+C1CC1NC(Nc2c(Cl)cc(Oc3ccnc4cc(c(C(O)=O)cc34)OCCOC)cc2)=O	1
+C1CC1NC(=O)c2sc3c(c(c(Cl)c(n3)O)C)c2N	104
+CC(C)(C)CNC(Cn1ncc2cc(ccc12)-c3cc(C(NC4CC4)=O)cc(F)c3C)=O	248
+c1cc(ccc1CNC(=O)Cn2c3c(cn2)cc(-c4c(c(cc(C(NC5CC5)=O)c4)F)C)cc3)C(NC)=O	248
+C1CN(CCN1CCO)CC=2c3c(C(=O)N(CC4CC4)C=2)ccc(-c5cc(C(NC6CC6)=O)cc(F)c5C)c3	2601
+CC(C)(C)OC(=O)N1C(C)CN(CC1)CC2=CN(CC3CC3)C(c4c2cc(cc4)-c5cc(C(NC6CC6)=O)cc(F)c5C)=O	2601
+CC(C)(C)[Si](C)(C)OCC(C)(C)CN1C(c2c(C(C=O)=C1)cc(-c3c(c(F)cc(C(NC4CC4)=O)c3)C)cc2)=O	19
+C1CC1NC(c2cc(N3C(C(NC=C3)=NC4(CC4)c5ccccc5OCC(O)CNCC)=O)c(C)cc2)=O	122
+C1CC1NC(c2cc(N3C(C(NC=C3)=NC4(CC4)c5c(OCC6OC6)cccc5)=O)c(C)cc2)=O	6441
+C1CC1NC(=O)c2c(Cl)cc([N+]([O-])=O)c(c2)N	0
+C1CC1NC(c2ccc(c(N3C=Nc4c(cc(OC)cc4)C3=O)c2)C)=O	6442
+CN(C)CCOc1ccc2N=CN(C(c2c1)=O)c3c(ccc(C(=O)NC4CC4)c3)C	72
+C1CC1NC(c2ccc(c(N3C(c4c(ccc(OCCN5CCCOCC5)c4)N=C3)=O)c2)C)=O	53
+C1CC1NC(c2ccc(c(N3C(c4cc(ccc4N=C3)OCC5N(C)CCC5)=O)c2)C)=O	113
+C1CC1NC(c2ccc(C)c(N3C(=O)c4cc(O)ccc4N=C3)c2)=O	5
+C1CN(CCN1c2ccc(cn2)Nc3ncc4scc(-c5cccc(C(NC6CC6)=O)c5)c4n3)CC	2602
+C1CC1NCc2c(cccc2)N	162
+c1cc(ccc1-c2ocnc2)C(N(C3CCN(CC3)C(=O)OC4(CC4)C)C5CC5)=O	30
+C1CC1N(C2CCN(CC2)c3ncc(cn3)Cl)C(=O)c4ccc(cc4)-n5ncnc5C	30
+C1CC1N2C=C(C(c3cc(c(c(C#N)c23)F)F)=O)C(=O)OCC	2020
+C1CC1N2c3c(C(=O)C(=C2)C(OCC)=O)c(C)c(c(F)c3)F	2020
+CC(C)(C)OC(N(CC(OCC)=O)C1CC1)=O	663
+c1(C)cc(cc(C)c1S(=O)(=O)N(CCO)C2CC2)OC	92
+C1CC1N(Cc2c(Cl)cc(Cl)cc2)CC(=O)c3ccccc3	676
+CC(C)(C)OC(=O)N(C1CC1)Cc2cc(Br)ccc2Cl	23
+C1CC1N2Cc3c(cccc3)NC2=O	3764
+CC(C)(C)OC(N(C1CC1)Cc2cc(C=CCOC)c(c(c2)Br)C)=O	23
+C1CC1N(Cc2nc(ncc2)Cl)C(=O)C	58
+c1(cc(cc(Cl)c1Oc2cc(S(=O)(=O)NC3CC3)c(cc2)O)CC4C(=O)NC(=O)S4)Cl	5
+C1CC1NS(=O)(=O)c2c(C)n(cc2)CC3CCCCC3	2603
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(S(=O)(=O)NC3CC3)c(C)n2CC4CCCCC4	1072
+C1CC1NS(=O)(=O)c2c(n(CC3CCCCC3)c(C(O)=O)c2)C	6
+CC(C)(C)OC(=O)NC(C)C(=O)Nc1ccc(F)c(Br)c1NC2CC2	33
+C1CC1Nc2c(N)ccc(F)c2Br	0
+C1CC1Nc2ccccc2N	0
+C1CC1n2c(nc3cc(F)c(cc23)F)-c4cc(C(C)(C)O)cnc4	6443
+C1CC1Nc2c(cc(F)c(F)c2)NC(=O)c3cc(cnc3)C(C)(C)O	246
+O=S(=O)(N(c1c(cc(Cl)cc1)[N+]([O-])=O)C2CC2)c3ccc(cc3)C	416
+C1CC1Nc2c3c(n(CC)nc3)ncc2C=O	3765
+C1CC1Nc2c3cnn(CC)c3ncc2C(O)=O	6
+C1CC1Nc2c3c(ncc2C=NO)n(CC)nc3	506
+CC(C)(C)OC(=O)n1c2c(c(n1)C)ccc(Nc3nc4c(occ4)c(n3)NC5CC5)c2	744
+C1CC1Nc2c(cnc3n(CC)ncc23)C(=O)N(C)OC	1012
+FC(F)(F)c1cc(ccc1-n2cnc(c2)C)C(Nc3ccc(C)c(c3)NC(c4csc5c4ncnc5NC6CC6)=O)=O	67
+CC(C)(C)OC(Nc1ccc(C)c(NC(c2csc3c(ncnc23)NC4CC4)=O)c1)=O	6444
+C1CC1n2c3c(nc2-c4cccnc4)ccc(c3)C#N	3766
+C1CC1Nc2cc(C#N)ccc2N	0
+CC(C)(C)OC(N1CCN(CC1)c2cc(NC3CC3)n4ncc(c4n2)C=O)=O	790
+CC(C)(C)OC(N(C1CC1)c2n3c(c(C=O)cn3)nc(Cl)c2)=O	1157
+C1CC1Nc2cc(SC)nc3n2ncc3C=O	3767
+C1CC1Nc2cc(N=[N+]=[N-])nc3c(cnn23)C=O	6445
+C1CC1Nc2n3c(c(C=O)cn3)nc(c2)N	1341
+C1CC1Nc2cc(nc3c(cnn23)C=C4NC(=O)NC4=O)SC	2021
+C1CC1Nc2c(cc(c(F)c2)F)N	0
+C1CC1Nc2n3c(c(C=C4NC(=O)NC4=O)cn3)nc(NC(=O)OC)c2	2021
+C1CC1Nc2cc(Cl)nc3n2ncc3C=O	2022
+C1CC1N(CC)c2ncc(cc2)C(=O)OCC	3505
+C1CC1Nc2n3ncc(C=C4SC(=O)NC4=O)c3nc(-c5ccnc(F)c5)c2	3768
+C1CC1Nc2nc(c(c(-c3cccc([N+]([O-])=O)c3)n2)C#N)SCC(N)=O	3769
+C1CC1Nc2nc(c(c(-c3cnccc3)n2)C#N)Cl	64
+C1CC1Nc2nc3c(c(-c4cccc(c4)[N+]([O-])=O)n2)c(c(C(N)=O)s3)N	3770
+C1CC1Nc2nc(Cl)c(C#N)c(-c3cc(ccc3)[N+]([O-])=O)n2	64
+C1CC1Nc2nc3c(c(c(s3)C(N)=O)N)c(-c4cnccc4)n2	3771
+C1CC1Nc2nc(cc(-c3cncc(-c4cc(ccc4)CN5CCN(CC5)C)c3)c2)-c6nc(C)ccc6	89
+Nc1nc(nc(N)n1)NC2CC2	1342
+C1CC1Nc2ncc3CN(c4cc(-c5nccs5)c(Cl)cn4)CCc3n2	43
+C1CC1Nc2nc3sc(c(N)c3c(-c4cc(ccc4)N)n2)C(N)=O	0
+FC(F)(F)c1ccc(cc1)NC(=O)Nc2cc(ccc2)-c3nc(nc4c3c(N)c(C(N)=O)s4)NC5CC5	124
+O=S(=O)(c1cc2n(cc1)ncc2)N(C3CC3)c4ccc(C#N)cn4	2023
+C1CN(CCN1C)Cc2cc3[nH]c(-c4ccc(c(C#Cc5ccc(NC6CC6)nn5)c4)C)nc3cc2	129
+FC(F)(F)c1c(-n2cnc(c2)C)ccc(NC(c3cc(c(C)cc3)C#Cc4ccc(NC5CC5)nn4)=O)c1	129
+C1CC1OC2CC(CO)N(C(c3cc(c4c(c3)nc(NCc5nccc(Cl)c5)o4)OC)=O)C2	30
+C1CC1OC2CC(CO)NC2	62
+CC(C)(C)OC(Cc1cc(Cl)c(cc1)OC2CC2)=O	2024
+CC1(C)C(C)(C)OB(O1)c2ccc(c(OC3CC3)c2)OC(F)F	17
+c1cc(ccc1SC2CC2)[N+]([O-])=O	411
+CC(C)(C)OC(=O)N1CCC(CC1)(c2cc(nc(Cl)n2)N3CCOCC3C)S(=O)(=O)C4CC4	23
+c1cc(ccc1)CN2CCC(CC2)(c3cc(nc(Cl)n3)N4CCOCC4C)S(=O)(=O)C5CC5	3772
+CC(C)(C)OC(N1CCOCC1CNS(=O)(=O)C2CC2)=O	111
+CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCN(CC3)S(=O)(=O)C4CC4)cn2)c5ccccc15	112
+CC(C)(C)OC(NCC1CCN(CC1)CCNS(=O)(=O)C2CC2)=O	111
+CC1(C)OB(OC1(C)C)c2cnn(S(=O)(=O)C3CC3)c2	2604
+C[Si](C)(C)CCOCn1c2ncc3ncc(n3c2cc1)C4CC(CC4C)NS(=O)(=O)C5CC5	111
+O=S(=O)(Nc1c(ccc(c1)C(=O)OC)F)C2CC2	80
+O=S(=O)(Nc1c(cc(cc1Oc2c(c(ccc2)NS(=O)(=O)CC)C)F)Nc3ccc(I)cc3F)C4CC4	80
+C1CC1S(=O)(=O)NC(C(Oc2cc3cnn(c3cc2)-c4cnccc4)c5cnc(OC)cc5)C	111
+O=S(=O)(C1CC1)Nc2cc(C)nc3c2c(c(Br)s3)-c4cc(OC)ccc4	80
+C1CC1S(=O)(=O)N2CC=C(CC2)c3cncc4cc(oc34)C=O	990
+O=S(=O)(C1CC1)NC2=CN(C(=O)C=C2Nc3c(F)cc(I)cc3)C	6446
+O=S(=O)(C1CC1)NCc2ccc(c(C(=O)Nc3ccc(OC)c(c3)C(Nc4ccc(cc4)Br)=O)c2)Cl	111
+O=S(=O)(N1CC(Nc2sc3cc(ccc3n2)Oc4cc(ncc4)-c5cnn(C)c5)CCC1)C6CC6	112
+C1CC1S(=O)(=O)N2CC=C(CC2)c3c4c(cc(C=C5C(=O)NC(=O)S5)o4)cnc3	2025
+CC(C)(C)OC(NC(C(C)CC(CCC=C)C)C(N1C(CC(O)C1)C(=O)NC2(C(C2)C=C)C(=O)NS(=O)(=O)C3CC3)=O)=O	207
+C1CC1S(=O)(=O)NC(C2(CC2C=C)NC(=O)C3C(C(N(CCCCC=C)C)=O)CC(Oc4ccnc(Cl)n4)C3)=O	145
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)C(=O)N(C)OC	164
+C1COCCC1CC(c2ccc(cc2)S(=O)(=O)C3CC3)C(CCC(c4ncc(C5OC(C)(C)OC5)s4)=O)=O	2605
+C1COCCC1CC(c2ccc(cc2)S(=O)(=O)C3CC3)C(=O)CCC(=O)c4ncc(C(C)(O)C(OC)OC)s4	2605
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)C(=O)C=C	1152
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)c4ccc([nH]4)-c5ncc(C(O)CO)s5	265
+C1CC1S(=O)(=O)Cc2cc(nc(n2)Cl)N3CCOCC3C	6447
+C1CC1Sc2c(Br)cc(C(C(=O)OCC)=CC3CCOCC3)cc2	6448
+C1CC1Sc2c(Br)cc(cc2)C(=O)C(=O)OCC	3773
+CC(C)(C)OC(=O)CCCCc1c(-c2ccc(cc2)F)nc3c(cc(C(C4CC4)=O)cc3)n1	3774
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cc2Cl)C(=O)C3CC3)=O	6449
+C1CC1C(=O)c2cccc(C)c2	3774
+c1cc(ccc1C(C2CC2)(O)C)Cl	6450
+C1CC1c2[nH]c(cn2)I	6451
+C1CC1c2n(-c3ccc(cc3)F)cc(n2)I	3775
+C1CC1c2ncn(C=3C=C4N(C(=O)CN=3)CCc5c(cccc45)-c6oncc6)c2	6452
+c1cc(ccc1C(C)Nc2c(cc([N+](=O)[O-])c(Nc3[nH]nc(C4CC4)c3)c2F)F)F	60
+C1CC1c2cc(n[nH]2)Nc3nc(NC(C)c4ncc(cn4)F)ncc3[N+](=O)[O-]	96
+C1CC1c2[nH]nc(Nc3nc(Cl)ncc3CO)c2	897
+CC(C)(C)[Si](C)(C)OCc1c(nc(Cl)nc1)Nc2n[nH]c(C3CC3)c2	19
+FC(F)Oc1c(c(nc2c(F)ccc(c12)OCC(=O)OC)CC)Cc3ccc(cc3)-n4nccc4C5CC5	1158
+CN(C)CCOc1cc(C2CC2)c(cc1)-c3cccc(N)n3	72
+C1CC1c2cc(OC)c(F)cc2-c3ncc4c([nH]nc4)c3	804
+C1CC1c2c(cncc2F)-c3cc4CCc5nnc(C)n5-c4c(F)c3	89
+C1CC1c2c(C#N)cc(Nc3nc(c(Cl)cn3)Cl)cc2	64
+C1CC1c2c(CO)c(F)ccc2	98
+C1CC1c2cc(C3=C(C4(CCN(CC4)OC)NC3=O)O)c(C)cc2C	997
+C1CC1c2c(C)n3c(ccc(c3)N4C=CC(OCc5ccc(F)cc5F)=CC4=O)n2	3776
+FC(F)(F)Oc1ccc(cc1CNC(Nc2n(-c3ccccc3)nc(C(=O)NC)c2C)=O)COC	3777
+FC(F)(F)Oc1c(CNC(=O)Nc2c(C)c(Oc3ccccc3)nn2-c4ccccc4)cc(COC)cc1	3777
+C1CC1c2cccc(c2CCl)F	229
+C1CC1c2c(COc3c(C)cc(cc3)-c4nn(c(C(=O)O)c4C)C)c(N5C(=O)N(N=N5)C)ccc2	6
+C1CC1c2c(COc3c(cc(-c4nn(C)c(c4C)C#N)cc3)C)c(N5C(=O)N(N=N5)C)ccc2	331
+C1CC1c2c(COc3c(C)cc(cc3)-c4c(c(C(=O)N)n(n4)C)C)c(N5C(=O)N(N=N5)C)ccc2	1612
+C1CC1c2cnc(C(=O)O)cc2Cl	6453
+C[Si](C)(C)CCOCN1C(=O)C(C)=C(c2c(cc(Oc3c(cccn3)C4CC4)cc2)C)N(C)C1=O	136
+C1CC1c2c(F)c(O)c(cc2Br)C=O	2606
+C1CC1c2c(c(c(O)c(C=O)c2)F)C3CC3	365
+C1CC1c2c(F)c(O)c(C=O)cc2	5
+C1CC1c2cc(C)c(cc2C#N)C(OC)=O	1013
+C1CC1c2ccncc2N3C(=O)N(c4ccnc(Cl)c4)CC3	6454
+C1CC1c2c(N3C(N(CC3)c4c(F)cc5ccsc5c4)=O)cncc2	6455
+C1CC1c2cnc(cc2Nc3c(cccc3)C(NOC)=O)Nc4cc(nn4CC)C	346
+C1CC1c2c(Nc3c(cccc3)C(NOC)=O)cc(nc2)Nc4n(C)nc(C)c4	346
+CC(C)(C)OC(c1cc(c(Oc2cc(c(C3CC3)nc2)OC(F)(F)C)cc1F)Cl)=O	551
+C1CN(CCC1(C)C)C(c2nc(c(C3CC3)cc2)OCC4OCCC4)=O	147
+c1cc(ccc1NC(=O)Nc2c(OCCC)c(C3CC3)cc(c2)Br)C4CC4	124
+C1CC1c2cc3c(cc2[N+](=O)[O-])nn(-c4ccc(cc4)Cl)c3C(=O)NC	81
+C1CC1c2cc3c(nn(c3C(=O)NC)-c4ccc(cc4)Br)cc2[N+](=O)[O-]	81
+c1cc(ccc1N2CCN(CC2)C)Nc3ncc4C=C(C(=O)N(Cc5c(F)cccc5C6CC6)c4n3)Br	2607
+C1CC1c2c(c(F)ccc2)CN3C(=O)C(=Cc4cnc(nc34)S(=O)C)Br	172
+C1CC1c2c(cc(c(OC(C)C)c2F)C=O)C3CC3	313
+CC1(C)OC(C)(C)C2(OC2c3cc(-c4c(cc(cc4)Cl)Cl)ccc3C5CC5)C1=O	3778
+C1CC1c2c(cc(-c3c(Cl)cc(cc3)Cl)cc2)C=C4C(C(C)(C)OC4(C)C)=O	6456
+C1CC1c2c(CN)cc(COC)cc2	107
+C1CC1c2cc(c(C)cc2C)CC(O)=O	4
+C1CC1c2c(cc(c(F)c2)[N+]([O-])=O)-n3c(nnn3)C(C)C	3779
+FC(F)(F)S(=O)(=O)Oc1c(cc(c(c1)C2CC2)Cc3ccc(cc3)-n4cccn4)C(=O)OC	376
+CC1(C)OB(OC1(C)C)c2cc(c(O)cc2C3CC3)C(OC)=O	17
+C1CC1c2c(cc(COC)cc2)C#N	76
+C1CC1c2cnc(C#N)cc2OCC3CC3	942
+C1CC1c2cc3c(C(NC)=O)n(nc3cc2NS(=O)(=O)C)-c4ccc(C)cn4	80
+c1cc(ccc1-n2nc3cc(c(cc3c2C(=O)NC)C4CC4)N(S(=O)(=O)C)CCCO)O	2608
+C1CC1c2cc3c(cc2N(S(=O)(=O)C)CCCO)nn(-c4ccc(cc4)Nc5ccccc5F)c3C(=O)NC	230
+c1cc(ccc1)COC=2C=CN(c3ccc4n(c(C)c(C5CC5)n4)c3)C(=O)C=2	6457
+C1CC1c2cc(c(Cl)nc2Cl)C(N)=O	745
+C1CN(CCN1C(=O)c2c(cc(cc2)Br)S(=O)(=O)C)c3ncc(cc3C4CC4)C5CC5	30
+c1cc(ccc1Nc2sc3c(cccc3)n2)Oc4ncccc4C5CC5	1605
+CC1(C)CC2(CC2)Oc3c(cc(C#Cc4cc(F)c(cc4)C(=O)OC)cc13)C5CC5	129
+C1CC1c2ccc(c3c(C(OC)=O)cn(Cc4ccc(-c5cnn(c5)C)cc4F)c23)F	962
+C1CC1c2c3ccccc3c(cc2)[N+](=O)[O-]	2026
+C1CC1c2c3c(n(n2)-c4ccc(cc4Cl)N)-c5sc(NC(C)=O)nc5CC3	0
+C1CC1c2c3c(n(n2)-c4c(cc(cc4)NC)Cl)-c5sc(NC(C)=O)nc5CC3	1159
+C1CC1c2ccc(c3ccccc23)N	0
+C1CC1c2cc(Br)c3nc(NC(OCC)=O)nn3c2	977
+C1CC1c2cc(c3nc(N)nn3c2)Br	982
+c1ccccc1-c2ccc(cc2)-c3c4c(cc(Nc5ncc(cc5C(=O)OC)C6CC6)c3)ccn4C	201
+c1cc(ccc1F)-c2c(C3CC3)cc(C=O)c(c2)OCC	39
+C1CC1c2cc(Cl)ccc2CCNC(=O)c3ccc(cc3)Oc4cc5c(cc4Cl)C(C(=O)O)CCO5	3
+CC1(C)C(C)(C)OB(O1)c2ccc(c(c2)C)C(Nc3cc(ccn3)C4CC4)=O	3780
+C1CC1c2cc(c3c(OCCN(c4cccc(Br)c4COC(=O)C)C3=O)c2)F	204
+C1CC1c2cc(Nc3c(F)cc(C#N)c(n3)Cl)n[nH]2	346
+C1CC1c2cc(Nc3nc(Cl)ncc3Cl)[nH]n2	349
+C1CC1c2[nH]nc(Nc3c(cnc(Cl)n3)[N+]([O-])=O)c2	349
+C1CC1c2n[nH]c(c2)Nc3c(F)c(I)c(c(Cl)n3)C#N	346
+C1CC1c2[nH]nc(Nc3c(F)c(F)c(F)cc3[N+](=O)[O-])c2	6458
+C1CC1c2cc(n[nH]2)Nc3c4c(nc(SC)n3)CN(CC4)C(=O)OCc5ccccc5	349
+c1cc(ccc1F)C(Nc2c(C#N)cc(c(n2)Nc3[nH]nc(c3)C4CC4)F)C	70
+C1CC1c2cc(n[nH]2)Nc3cc(NC(c4ccc(cc4)F)C)ncc3[N+](=O)[O-]	70
+C1CC1c2cc([nH]n2)Nc3c(Cl)cnc(NC(c4ccc(F)cn4)C)n3	96
+C1CC1c2cc([nH]n2)Nc3c(Cl)cnc(NC(C)c4ncc(cc4F)F)n3	96
+FC(F)(F)c1ccc(cc1)-c2csc(CCCOc3cc(c(OCC(OC)=O)cc3C4CC4)C)n2	126
+C1CC1c2c(Cl)nc(OCCCC(C)=O)c(c2)C#N	1014
+C1CC1c2ccc(N)c(F)c2	0
+C1CC1c2c(O)c(c(c(c2)[N+](=O)[O-])C)C=C	443
+C1CC1c2cc(N)c(N)cc2	2609
+C1CC1c2c(cc(c(F)c2)[N+](=O)[O-])NC(=O)C(C)C	26
+C1CC1c2c(cc(c(c2)C(NS(=O)(=O)C3CC3)=O)F)OCC4CCN(CC4)S(=O)(=O)C	258
+C1CC(CCN1)COc2c(cc(c(F)c2)C(=O)OC)C3CC3	47
+CC1(C)C(C)(C)OB(O1)c2c(COC(=O)C)c(N3C(c4c(OCC3)cc(C5CC5)cc4F)=O)ccc2	17
+C1CC1c2cc(F)c3c(OCCN(c4cccc(Br)c4CO)C3=O)c2	41
+c1cc(ccc1-c2c3nc(nn3cc(C4CC4)c2)N)Cl	1805
+c1cc(ccc1Nc2cc(nc(C3CC3)c2)-c4cc(Cl)ccc4)CC(OCC)=O	179
+C1CC1c2c(OCCC)c(N)cc(c2)Br	0
+c1cc(ccc1C#Cc2cc(c3OC(C)(C)CC(C)(C)c3c2)C4CC4)C(OCC)=O	129
+n1cc(cnc1-n2c3c(cc2)cc([N+]([O-])=O)cc3C4CC4)C	6459
+c1cc(ccc1C(C)Nc2ncc(c(c2)Nc3cc(n[nH]3)C4CC4)N)F	13
+C1CC1c2cc([nH]n2)-n3c4nc(ncc4nc3)NC(C)c5ncc(cn5)F	2610
+C1CC1c2c(cc3c(c2)c(C(=O)NC)n(n3)-c4ccc(cc4)Br)NS(=O)(=O)C	80
+c1cc(ccc1Cl)-n2c(c3c(n2)cc(NS(=O)(=O)C)c(C4CC4)c3)C(=O)NC	80
+CC1(C)C(C)(C)OB(O1)c2c(c(ccc2)N3C(=O)c4c(C=N3)cc(cc4)C5CC5)C	17
+OB(O)c1c2cc(C3CC3)[nH]c2ncc1	3224
+C1CC1c2cc3c(C(=O)NC)n(nc3cc2N)-c4ccc(cc4)Cl	0
+C1CC1c2cc3c(C(=O)NC)n(-c4ccc(cc4)Br)nc3cc2N	0
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(Br)ccc2C3CC3	3781
+CC1(C)C(C)(C)OB(O1)c2c(C)c(cc(F)c2)NC(c3c(cc(C4CC4)cc3)F)=O	3782
+C1CC1c2c(cc(cc2)CO)C#N	41
+C1CC1c2ccc(c(c2)N)F	0
+C1CC1c2ccc(Nc3n4cncc4ccc3C(OC)=O)c(F)c2	3783
+C1CC1c2c(C#N)cc(cc2)Nc3ncc(c(n3)O)Cl	55
+C1CC1c2ccc(Nc3c(ccc4cncn34)C(NOCCO)=O)c(F)c2	1000
+C1CC1c2ccc(c(F)c2)Nc3c(C(O)=O)ccc4cncn34	1
+C1CC1c2c(I)cc(C(=O)OC)c(C)c2	184
+C1CC1c2cc(c(cc2)F)NC(c3cc4c(nc(Nc5c(cccc5Cl)Cl)[nH]4)c6c3OC(C)(C)C6)=O	67
+C1CC1c2c3c(c(F)cc2)c(cn3Cc4c(cc(-c5cnn(c5)C)cc4)F)C(=O)O	1
+C1CC1c2c3c(cccc3)c(N=C=S)cc2	333
+C1CC1c2ccc(cc2)CO	41
+c1cc(ccc1COc2c(OC)cc(I)cc2)C3CC3	657
+CC(C)(C)C(NC(c1ccc(c(OCC2CC2)n1)C3CC3)=O)CC(N)=O	81
+CC(C)(C)OC(=O)N1CCCC(C1)Nc2c(c(OC)nc(N3CCOCC3)n2)-c4sc5c(n4)cc(cc5)C6CC6	3784
+C1CC1c2cc3c(C(N(N=C3)c4c(C)c(ccc4)Br)=O)cc2	6460
+C1CC1c2cccc(-c3nc4c(nc(N5CC(C(O)=O)CCC5)cc4)[nH]3)n2	3
+C1CC1c2cccc(n2)C(N3CCN(C(OCc4ccccc4)=O)C(C)(C)C3)=O	147
+c1cc(ccc1-c2c(C3=NOC(=O)N3)cccc2)CC=4C(=O)N(c5cc(ccc5)C6CC6)C(=NC=4CCCC)C	618
+C1CC(CCC1)Nc2cc(Nc3nc(ccc3)C4CC4)c(C(=O)N)nn2	232
+Fc1cc(cc(F)c1NS(=O)(=O)C)C(NC(=O)c2coc(n2)Oc3cc(C4CC4)ccc3)C	6461
+C1CC1c2c(c(F)ccc2)CN3c4c(C=C(C3=O)Br)cnc(SC)n4	6462
+C1CC1c2nccc(N3CCN(c4cnccc4C5CC5)C3=O)c2	6463
+CC(C)(C)OC(=O)NCC(C)(C)COc1c2c(ccc(n2)-c3nnc4ccc(cn34)C5CC5)ccc1	3785
+C1CC1c2cnc(C(=O)O)cc2OCC3CC3	876
+C1CC1c2c(cc(nc2)C(NO)=N)OCC3CC3	958
+CC(C)(C)c1nc(on1)-c2ncc(C3CC3)c(c2)Cl	6464
+FC(F)(F)C(C)Oc1cc(C(O)=O)ncc1C2CC2	260
+FC(F)(F)COc1cc(C(O)=O)ncc1C2CC2	260
+C1CC1c2cnc(-c3nc(C4CCCC4)no3)cc2OCC5CC5	3786
+CC(C)(C)C(O)CNC(=O)c1ncc(c(c1)OCC2CC2)C3CC3	81
+CC(C)(C)OC(=O)N1C(CC(Oc2ncc(C3CC3)nc2)C1)CN=[N+]=[N-]	1335
+C1CC1c2cnn(c2-c3csc(C(=O)O)c3)C	1
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(=O)c4scc(c4)-c5n(C)ncc5C6CC6	227
+C1CC1c2nc(-c3nc4c(C)c(OC)ccc4c(c3)Cl)sc2	120
+C1CC1c2csc(C(=O)Nc3c(C(C)=O)ccc(OC)c3C)n2	6465
+C1CC1c2csc(-c3nc4c(c(c3)O)ccc(c4C)OC)n2	6466
+c1cc(ccc1F)-n2c(nc(C#Cc3cc(C)ncc3)c2)C4CC4	6467
+C1CC1c2n(nc(-c3nc(Nc4ccncc4)c(OC)cn3)c2C)Cc5ccc(cc5)OC	3787
+c1cc(ccc1)COC2=CC(N(C=C2)c3ccc4c(c3)n(c(C5CC5)n4)C)=O	2027
+c1cnccc1Nc2nc(ncc2OC)-c3c(C)c(C4CC4)n[nH]3	1613
+C1CC1c2n(Cc3ccc(cc3)OC)nc(c2C)-c4ncc(c(N)n4)OC	6468
+c1cc(ccc1F)C(C)Nc2nc(Nc3cc(n[nH]3)C4CC4)c(c(c2C#N)I)F	70
+O=S(=O)(Nc1c(F)c(cc(Cl)c1)-c2nc(C3CC3)oc2-c4ccnc(SC)n4)C	80
+C1CC1c2nc(-c3cc(NC(=O)NCC)ncc3-c4cc5C(C(=CN(c5cc4)C(CO)CC(C)C)C(=O)O)=O)sc2	108
+OB(O)c1cnc(NC(NCC)=O)cc1-c2nc(C3CC3)cs2	2028
+C1CC1c2nc(Cl)c(Cl)c(n2)C(O)=O	64
+C1CC1c2cccc(C(O)=O)n2	6
+C1CCCN1C(C2CCCN(c3ccc4c([nH]c(-c5nc(ccc5)C6CC6)n4)n3)C2)=O	6469
+CC(C)n1c2c(c(C(c3cc(NC(Cc4coc(C5CC5)n4)=O)ncc3)=O)n1)cncc2	142
+C1CC1c2nc(C(=O)OC)c(c(OC)n2)Cl	145
+c1cc(ccc1)CNc2nc(C3CC3)nc(c2Cl)C(OC)=O	40
+C1CC1c2nc(Cl)c(Cl)c(n2)C(=O)OC	1343
+C1CC1c2c(cc(c(N3CCN(C(CCO)=O)C(C4CC4)C3)n2)C#N)N(C)c5ccnc(C=C)c5	6470
+C1CC1c2cccc(Nc3c(C(=O)N)nnc(Cl)c3)n2	314
+O=S(=O)(CC)NCCOc1nc(C2CC2)nc(NS(=O)(=O)c3ncc(cc3)C(C)C)c1Oc4c(cccc4)OC	111
+O=S(=O)(Nc1c(c(-c2c(sc(n2)C3CC3)-c4nc(ncc4)SC)cc(Cl)c1)F)C	80
+C1CC1c2cc(cc(-c3cc(Cl)ccc3)n2)Cl	140
+CC(C)(C)OC(NCCn1c2nc(cc(c2cn1)C(OCC)=O)C3CC3)=O	6471
+C1CC1c2nc3ccc(cc3n2C)N4C(C=C(C=C4)Cl)=O	6472
+FC(F)(F)c1cc(COC=2C=CN(C(=O)C=2)c3ccc4c(c3)n(c(C5CC5)n4)C)cs1	6473
+CC(C)(C)OC(=O)c1c(cc(Oc2cnc(c(Cl)c2)C3CC3)c(c1)Cl)Cl	551
+C1CC1c2ncc(cc2Cl)Oc3cc(c(C(=O)NS(=O)(=O)C)cc3Cl)Cl	258
+C1CC1c2sc(nn2)N3C(CCN(C3=O)C)OC(Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)=O	204
+C1CC1c2sc(nn2)NC(=O)N(CCC=O)C	1110
+c1cc(ccc1C(=O)N)-c2c3c(nccn3c(C4c5nnc(C6CC6)n5CCC4)n2)NCc7c(OC)cc(cc7)OC	169
+CC(C)(C)[Si](C)(C)OCCOc1c(-n2nnnc2C3CC3)cc(cc1)[N+](=O)[O-]	57
+C1CC1c2noc(C=Cc3ccc(c(O)c3)OC)n2	5
+C1CC1c2noc(C=Cc3ccc(c(c3)O)O)n2	5
+C1CC1c2nc(-c3c(NC(C4=C(C(O)=O)CCCC4)=O)sc5c3CCCC5)sn2	3788
+C1CC1c2nnc(o2)-c3c(ncc(c3)-c4ccc5[nH]ccc5c4)N	89
+C1CC1c2nc(CC(=O)O)co2	3
+C1CC1c2nnc(N=C=O)s2	775
+C1CC1c2nnc(N3C(=O)N(C)CCC3O)s2	1903
+Fc1cc(cc(F)c1CN2c3sc(cc3C(=O)N(Cc4ccc(OC)cc4OC)C2=O)C5CC5)-c6c(cccc6)C#N	3593
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+CC(C)(C)OC(=O)NC1C(CCCC1)O	37
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+C(OCC)(=O)NC1CCCCC1O	101
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+C(O)CCCCOc1c(Br)cc(cn1)C(=O)NC2CCCCC2O	56
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+C1CCCC1(C(O)=O)c2scc(c2Cl)C	1588
+C1CCCC1(c2cc(Cl)c(cc2)Cl)C(=O)C	3610
+c1cc(ccc1CC(NC(=S)C2(CCCC2)CCCCS(=O)(=O)C)C(=O)OC)[N+]([O-])=O	199
+C1CCCC1(CO)C#N	95
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+C1CCCC1(CO)c2c3ccccc3ccc2	237
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+N1=NCC2(C1)CCCC2	6488
+c1cc(ccc1Oc2ccccc2)NC(=O)CNCC3(CCCC3)CN	1229
+C1CCC(C1)(COC)c2cc(ccc2-c3c(cnc(c3)OC)F)C(=O)OC	76
+C1CCC(C1)(c2c(-c3cc(ncc3F)OC)ccc(CO)c2)COC	98
+C1CCC(C1)(N2CCCC2)C(c3ccccc3)N	6489
+C1CCC(C1)(Nc2c(F)cc(c(Cl)n2)C#N)C(=O)N	6490
+C1CCC(C1)(N)CC(OC)=O	167
+C1CCCC1(CC(=O)OC)NCc2ccc(cc2)F	42
+C1CCC(C1)(Nc2nc(Nc3cnc4c(cccc4)c3)c(C#N)cc2F)C(N)=O	1970
+C1CCC(C1)(Nc2c(F)cc(c(Nc3cc4ccccc4nc3)n2)C(N)=O)C(N)=O	745
+C1CCCC1c2ccc(cc2)C3(CC3)C(O)=O	564
+c1cc(ccc1S(C2(CCCC2)CC(=O)NO)=O)Oc3ccccc3	2033
+CC(C)(C)ONC(=O)CC1(CCCC1)Sc2ccc(cc2)Oc3ccccc3	6491
+C1CCC(C1)(C=O)c2cccc3c2cccc3	2013
+C1CCC(C1)(c2ccc(cc2)Nc3c4c(nc(C5CCCC5)n3)CCC4)C(OC)=O	73
+c1cc(ccc1C2(CCCC2)C(=O)O)Nc3c4c(nc(C5CCCC5)n3)CCC4	4
+C1CCCN1C2(CCCC2)C#N	735
+C1CCC(C1)NC(CC)C(=O)OC	3794
+C1CCC(C1)NCCC(=O)OCC	87
+C1CCCC1NCCNc2nc(C)nc3cc4n(c23)cccc4-c5c(C)cc(cc5C)C	87
+FC(F)(C(=O)OCC)CNC1CCCC1	87
+FC(F)(F)c1ccc(C(=O)NC2CCCCC2NC3CCCC3)c(C4CC4)c1	87
+FC(F)(F)c1cccc(C(O)C(c2cc(ncc2)F)NC3CCCC3)c1	87
+N1(C)CCc2ccc(c3c2n(c4CCCc34)CC1)F	6492
+C1CCC(C1)N2CCc3c(CC2)cc(cc3)Oc4ncc(C(NC)=O)cc4	85
+C1CCC(C1)Nc2c(cc3c(ccnc3O)c2)C	231
+C1CCCC1(c2ccc(cc2)Cc3ccccc3OCc4ccccc4)O	251
+C1CN(CCN1C2CCCC2)c3ccc(cc3)I	85
+c1cc(ccc1C2=CCCC2)F	6493
+C1CCCC1Oc2ccc(c(c2)OCCN3CCCCC3)Br	521
+C1CCC(C1)N2CCC3(CC2)COC(c4ccc(cc4)OCCCN5CCCC5C)=N3	6494
+C1CCC(C1)Oc2cc(cnc2OC)C(=O)OC	2034
+C1CCC(C1)Oc2c(Cl)cc(cc2Cl)C(OC)=O	521
+C1CCCC1Oc2c(ccc(C(=O)OC)c2)SC	521
+C1CCC(C1)C(c2cccc(F)c2)C(OC)=O	6495
+C1CCC(C1)Oc2c(OC)ccc(C=O)c2	521
+C1CCCC1n2c3nc(Cl)nc(NCc4cc(OC)c(cc4)OC)c3nc2	2615
+C1CCC(C1)n2c3c(c(Nc4ccc5CCCc5c4)nc(Cl)n3)nc2	2615
+c1cc(ccc1-c2c3c(n(C4CCCC4)n2)c(F)ccc3)OC	6496
+C1CCC(C1)C(c2ccc(cc2)OCc3ccc4ccccc4n3)C#N	3795
+C1CCC(C1)Oc2c3c(c4c(cccc4)o3)ccc2	6497
+c1cc(ccc1Sc2ccccc2)OC3CCCC3	521
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(ncc2Cl)[nH]cc3NC(C4CCCC4)=O)C1	1610
+CC(C)(C)OC(C1(CC1)Cc2cc(NC(C(c3ccc(cc3)CN4C(=O)c5c(cccc5)C4)C6CCCC6)=O)ccc2)=O	33
+C1CCC(C1)C(c2ccc(c(c2)CC(C)C)O)C(OC)=O	2616
+C1CCC(C1)c2n3NC(=NC(=O)c3c(n2)CC)c4cccc([N+](=O)[O-])c4	3796
+C1CCCC1(C(=O)OCC)Cc2ccccc2	1161
+C1CCC(C1)C(c2ccc(cc2)OCc3ccc4ccccc4n3)C(=O)N	3797
+C1CCCC1C(c2cc(F)ccc2)(C(OC)=O)C	2035
+C1C2(CN1c3ccc(cc3)-c4[nH]nc5ccc(C(=O)NC(C6CCCC6)c7ccccn7)cc45)COC2	1016
+C1CCCC1C2(CCN(CC2)c3ccc(cc3)C(=O)OCC)OC	34
+C1CCC(C1)C2CCc3cc(O)c(c(Cl)c3C2=O)Cl	5
+C1CCC(C1)C2C(=O)c3c(CC2)cc(c(Cl)c3Cl)OCc4[nH]nnn4	420
+C1CCC(C1)C2C(c3c(CC2)cc(OCC#N)c(Cl)c3Cl)=O	3798
+C1CCC(C1)C2N(c3nc(c(C#N)cc3)C)N=C(c4cc(c(CC(O)=O)cc4)OC)C2	6498
+C1CCC(C1)CC(C(OC)=O)c2cc(F)c(-n3c(nnn3)C)cc2	6499
+CC(C)Oc1cnc2[nH]c(cc2c1)C(CC3CCCC3)c4ccc(cc4)S(=O)(=O)C	6500
+C1CCCC1C2N(N=C3c4ccc(cc4CCC23)C(=O)OC)c5cc(Cl)c(C#N)cc5	6501
+C1CCC(C1)C=C2C(c3c(CC2)cc(cc3)C(=O)OC)=O	3799
+C1CCC(C1)Cc2n(c3ccc(S(=O)(=O)C(C)C)cc3n2)CC4CC4	849
+FC(F)(F)c1ccc(cc1)CNc2nc(c(c(N)n2)NC(CC3CCCC3)=O)C	1616
+C1CCC(C1)CC(c2c(-c3ccc4cc(ccc4c3)OC)oc5ccccc25)=O	2617
+c1c(C)c(c(cc1[N+](=O)[O-])C)NC(=O)CC2CCCC2	26
+c1ccccc1Nc2nn(-c3cc(ncc3)NC(=O)CC4CCCC4)cn2	195
+FC(F)(F)c1ccc(cc1)CNc2cc(C)c(c(C)c2)NC(CC3CCCC3)=O	208
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cnc3n(ccc23)S(=O)(=O)c4ccccc4)NC(CC5CCCC5)=O)=O	469
+C1CCCC1CC(C(=O)Nc2nn(cc2)CC(C)(C)O)N3C(C=C(C=N3)Oc4c(C)ccc(C)c4C)=O	142
+C1CCCC1CC(c2cc(C#N)c(cc2)S(=O)(=O)C)C(O)=O	4
+C1CCC(C1)CC(C(=O)OC)c2cc(c(S(=O)(=O)C)cc2)C#N	180
+C1CCCC1CC(C(=O)O)c2cc(F)c(-n3c(nnn3)C)cc2	4
+C1CCCC1CC(C(O)=O)c2cc(c(SC)cc2)Cl	4
+C1CCCC1CC(C(=O)O)c2ccc(cc2)-c3cnccc3	4
+C1CCCC1CC(C(=O)NNc2nc(nc(N3CCN(CC3)C)c2F)CC)CN(O)C=O	2618
+C1CCC(C1)CCc2c(oc3c2cccc3)-c4cc5ccc(OC)cc5cc4	6502
+C1CCC(C1)CC(c2c(-c3ccc4c(ccc(OC)c4)c3)oc5ccccc25)O	6503
+C1CCCC1CC(c2cc(Cl)c(Cl)cc2)C(=O)N	6504
+C1CCCC1CC(c2ccc(cc2)C#Cc3ncccc3)C(=O)O	4
+C1CCCCC1(C#Cc2ccc(cc2)C(C(OC)=O)CC3CCCC3)O	121
+c1cc(ccc1C(C(OC)=O)CC2CCCC2)C#CCN(C)C	121
+c1cc(ccc1C(CC2CCCC2)C(OC)=O)-c3ccc4c(c3)cc[nH]4	134
+C1CCC(C1)CC(C(OC)=O)c2ccc(cc2)-c3cnccc3	1617
+c1cnccc1-c2ccc(cc2)C(CC3CCCC3)C(OC)=O	2036
+c1cc(ccc1C(C(=O)O)CC2CCCC2)OCc3ccccc3	4
+C1CCCC1CC(C(=O)O)c2ccc(cc2)[N+]([O-])=O	3
+c1cc(ccc1CNc2ccc(CC)c(NC(CCC3CCCC3)=O)c2CC)F	208
+C1CCC(C1)CCC(Nc2c(CC)c(ccc2CC)N)=O	0
+FC(F)(F)c1ccc(cc1)NC2CCc3cc(c([N+](=O)[O-])cc23)NC(=O)CCC4CCCC4	3800
+CC(C)(C)[Si](C)(C)OCCNC1CCN(C1)c2nc3ccc(c(NC(=O)CCC4CCCC4)c3cc2)Cl	110
+C1CCC(C1)CCCCCCCCOc2ccc(cc2)-c3ncc(CCCCCCC)cc3	8
+C1CCC(C1)CCCN2C3CCc4c(cccc4C3CC2)O	5
+C1CCC(C1)CN2C(C(C(NCc3ccccc3)=O)=CC(c4ccc(cc4)OC)=N2)=O	6505
+C1CN(CCC1Oc2c3cnn(c3ncn2)-c4ccc(cc4)S(=O)(=O)C)C(=O)OCC5CCCC5	1468
+c1cc(ccc1Oc2ncc(C#CC(C)NC(C)=O)s2)OCC3CCCC3	20
+C1CCC(C1)CN2N=C(C=C(C(OCC)=O)C2=O)c3ccc(cc3)OC	6506
+c1cc(ccc1)Oc2nccc3c2cc(c(N(C4CCCC4)C(=O)C)c3)C	136
+C1CN(CCC1)c2cnc(Nc3ncc4C=C(C(N(c4n3)C5CCCC5)=O)COCC)cc2	3608
+C1CCC(C1)N2C3=NC(c4cc(OCC(=O)O)ccc4)=NC(=O)C3=C(N2)CC	3
+CC(C)(C)C(C(=O)N1C2C(c3c4ccc(cc4[nH]c3)F)CN(C2CC1)C5CCCC5)NC(OC(C)(C)C)=O	10
+C1CCC(C1)N2C=3C(C(N=C(N=3)c4c(cccc4)OCC(=O)O)=O)=C(CC)N2	3
+C1CCC(C1)N2CC3(CCC3)C(N(C)c4cnc(nc24)Nc5c(cc(C(=O)O)cc5)F)=O	55
+C1CCC(C1)N2CC3(CCC3)C(N(C)c4cnc(nc24)Nc5ccc(C(NN6CCN(CC6)C)=O)cc5F)=O	898
+C1CCCC1N2N(C)C(=C(C2=O)Cl)C	6507
+FC(F)(F)S(=O)(=O)Oc1nn(c2ccnc(OC)c12)C3CCCC3	3801
+C1CCC(C1)N2C(=O)C(COCC)=Cc3c2nc(nc3)S(=O)C	3802
+C1CCC(C1)N2c3nc(ncc3N(C(=O)C(F)(C)C2)C)Nc4ccc(C(=O)NC5CCN(CC5)C)cc4OC	14
+C1CCCC1NC(Nc2ccc(cc2)-c3nn(CC)cc3-c4c5cc[nH]c5ncc4)=O	406
+C1CCC(C1)N(C)c2nc(ccn2)N3CCC(CC3)c4ccc(cc4)C(C)C(NCC)=O	117
+c1cc(ccc1S(=O)(=O)n2c3ncc(c(CNC(C(NC4CCCC4)=O)CC#N)c3c(C(=O)O)c2)Cl)C	3803
+C1CCCC1N(c2nc(ncc2[N+]([O-])=O)Cl)C(C(OC)=O)CC	2619
+C1CCC(C1)Nc2n3nc(-c4ccncc4)c(-c5nc(ncc5)NC6CCCC6)c3ccc2	2620
+C1CCCC1Nc2nccc(-c3c(-c4cc(Cl)ccc4)nn5cnccc35)n2	3804
+FC(F)(F)c1cn2nc(c(-c3ccnc(NC4CCCC4)n3)c2cc1)-c5ccc(cc5)F	2620
+C1CCC(C1)Nc2nccc(-c3c4ccnc(SC)n4nc3-c5ccc(cc5)F)n2	3805
+C1CCC(C1)Nc2nc(-c3c(-c4cc(ccc4)C)nn5c(cccc35)Cl)ccn2	6508
+C1CCCC1Nc2nc(-c3c4cccc(n4nc3-c5occc5)Cl)ccn2	3804
+C1CCCC1NCC(C(=O)OCC)CCC	1917
+c1cc(ccc1CNC2CCCC2)N3C=C(C(c4cc(c(N5CCN(CC5)c6ccccn6)c(Cl)c34)F)=O)C(O)=O	108
+C1CCCC1n2nccc2-c3ccc(Br)cc3[N+]([O-])=O	2008
+C1CCC(C1)NNC(c2c(ccnc2OC)I)=O	1325
+C1CCC(C1)N2NC(c3c(nccc23)OC)=O	3714
+C1CCC(C1)NS(=O)(=O)c2c3ccc(nc3cc(-c4c(noc4C)C)c2)Cl	6509
+C1CCC(C1)N(c2cc3ccnc(c3cc2C)Cl)C(=O)C	192
+C1CCC(C1)Nc2c(cc3c(ccnc3Cl)c2)C	137
+C1CCC(C1)Nc2cc(cc3c(-c4ccnc(S(=O)C)n4)c(nn23)-c5ccc(cc5)OC)Cl	172
+C1CCC(C1)Nc2cc(ccn2)-c3c4cccc(n4nc3-c5csc(C)n5)Cl	2621
+C1CCCC1Nc2cc(ccn2)-c3c4cccc(NC5CCCC5)n4nc3-c6csc(C)n6	1162
+C1CCC(C1)Nc2cccc3n2nc(-c4ccc(cc4)F)c3-c5cc(F)ncc5	6510
+C1CCC(C1)Nc2n3c(c(c(-c4ccncc4)n3)C(=O)C=CN(C)C)ccc2	277
+C1CCC(C1)Nc2cccc3c(c(-c4ccc(cc4)F)nn23)-c5cc(ncc5)NC6CCCC6	182
+C1CCC(C1)Nc2cccc3c(-c4ccnc(NN)c4)c(nn23)-c5ccc(cc5)F	1606
+C1CCC(C1)Nc2cccc3n2nc(c3-c4ccnc(NC5CCCC5)n4)-c6cccc(C)c6	1162
+Clc1cccc(Cl)c1C(NC(C(=O)OC)Cc2ccc(cc2)OCCc3nc(ccc3)NC4CCCC4)=O	20
+C1CCC(C1)Nc2nc(CCO)ccc2	168
+C1CCC(C1)Nc2nccc3n2nc(-c4cc(Cl)ccc4)c3-c5nc(NC6CCCC6)ncc5	3806
+C1CCC(C1)N2c3c(cnc(SC)n3)C=C(COCC)C2=O	6511
+C1CCCC1Nc2nccc(n2)-c3c4cccc(Cl)n4nc3Cc5ccccc5	2621
+CC(C)(C)Nc1nccc2c(-c3ccnc(NC4CCCC4)n3)c(nn12)-c5ccc(cc5)F	3806
+CC(C)(C)OC(=O)N(CCN1c2c(cc(c(OC3CCCC3)c2)C)N=C4C(N=C(N=C14)O)=O)Cc5ccccc5	556
+CC(C)(C)OC(N1CCC(CC1C(OC2CCCC2)=O)=O)=O	27
+CC(C)(C)[Si](C)(C)OCCC(NC(=O)OC(C)(C)C)C(=O)OC1CCCC1	6512
+C1CCC(C1)OCC(=O)OCC	337
+C1CCC(C1)OC(=O)OC(Cl)C	405
+C1CCC(C1)Oc2c(C(N3CCN(CC3)c4ccc(S(=O)(=O)C)cc4F)=O)c(F)c(cc2)S(=O)(=O)C	57
+C1CCC(C1)Oc2c(C(O)=O)cc(cc2)S(=O)(=O)C	556
+C1CCC(C1)Oc2c(Br)cc(C(=O)OC)cn2	91
+C1CCCC1Oc2c(OC)cc(CC(OC)=O)cc2	419
+c1cc(ccc1C(N2CC(=NOC)CC2C(=O)OC3CCCC3)=O)-c4ccccc4C	27
+C1CCC(C1)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	1117
+C1CCC(C1)OC(=O)OC(I)C	6513
+FC(F)(F)COc1ccnc(c1C)CSc2n(c3ccccc3n2)C(C)OC(=O)OC4CCCC4	6514
+C1CCCC1OCC(O)=O	3
+c1cc(ccc1OCC(CNCCNC(=O)Nc2c(cccc2)O)O)OCCOC3CCCC3	122
+FC(F)(F)c1ccc(c(c1)-c2cc(C(=O)OC)cnc2OC3CCCC3)Cl	89
+FC(F)(F)c1nc(sc1)N2CCN(CC2)C(c3c(ccc(S(=O)(=O)C)c3)OC4CCCC4)=O	30
+c1cc(ccc1C(=O)OC)NC(=O)c2cc(Cl)c(c(c2)Cl)OC3CCCC3	67
+C1CCC(C1)Oc2c(Cl)cc(cc2Cl)C(=O)O	1
+C1CCCC1Oc2cc3c(C(N(C=C3C=O)C(=O)OCC)Cc4cccc(OC)c4)cc2OC	3752
+C1CCC(C1)Oc2cc3c(C=O)cnc(C(=O)c4cccc(OC)c4)c3cc2OC	3807
+C1CCC(C1)Oc2cc(ccc2OC)C=NO	135
+C1CCCC1Oc2c(cc(c(c2)N3C(=O)C4=C(CCCC4)C3=O)F)Cl	2380
+c1cc(ccc1Br)C2(c3ccc(c(OC4CCCC4)c3)OC)C=CC(CC2)=O	3808
+C1CCC(C1)Oc2c(cccc2OC)C=Cc3nc4ccccc4n3-c5ccc(C#N)nn5	331
+C1CCC(C1)Oc2c(cccc2OC)C=Cc3nc4ccccc4n3-c5nnc(cc5)C(=O)O	6
+C1CCC(C1)Oc2c(cccc2OC)C=Cc3n(c4ccccc4n3)-c5ccc(nn5)C(=O)N	247
+C1CCC(C1)Oc2c3c(c(C=O)cc2)c4ccccc4o3	3809
+C1CCC(C1)Oc2cc(ccc2OC)Cc3nc4cccc(c4o3)[N+](=O)[O-]	2037
+C1CCC(C1)Oc2c(cc(F)c(N)c2)Cl	2622
+C1CCC(C1)Oc2cc(ccc2OC)C3=NOC(CC(O)=O)(C(=O)O)C3	4
+C1CCC(C1)Oc2cc(CC(=O)Nc3c(O)c([N+](=O)[O-])ccc3)ccc2OC	33
+C1CCCC1Oc2cc(cnc2OC)C(=O)O	1
+C1CCCC1Oc2c(OC)cc3c(c(cnc3C(c4cc(OC)ccc4)=O)C(O)=O)c2	2038
+C1CCC(C1)Oc2ccc(cn2)C(=O)OCCC(C)=C(F)F	1986
+CC(C)(C)OC(=O)c1c(SC2CCCC2)n(nc1)-c3ccc(cc3)C(=O)OC	6515
+c1ccccc1COc2c(cc(SC3CCCC3)c4cccnc24)Cl	2039
+C1CCC(C1)S(=O)(=O)NC(C(=O)CC(=O)N(Cc2ccc(cc2)F)OC)=O	2623
+C1CCCC1c2c(c(C(=O)N)[nH]n2)NC(CNC(=O)C)=O	3810
+C1CCC(C1)c2cc(ccc2-c3nc(N)ccc3)O	899
+C1CCCC1c2c(c(Cl)ccc2)C(Cl)=O	82
+c1cc(ccc1OCc2c(C3CCCC3)onc2C4CCCC4)-c5ccc6c(ccc(C(OC)=O)n6)c5	20
+C1CCC(C1)c2ccccc2N=C=S	333
+c1ccccc1COc2c(CC=C)cccc2C3CCCC3	139
+c1ccccc1COc2ccc(cc2C3CCCC3)Br	22
+C1CCC(C1)c2cc(CCC(=O)OCC)c([N+]([O-])=O)cc2OC(OC)=O	77
+C1CCC(C1)c2c(O)ccc(c2)-c3c4c(cccc4)c(c5sc(c(c35)C)C)Br	173
+C1CCC(C1)c2c(OC(=O)OC)cc(c(CCC(=O)OCC)c2)N	0
+C1CCCC1c2cc(Cl)c(cc2OC(OC)=O)[N+]([O-])=O	31
+C1CCC(C1)c2ccc(C=O)c(OC)c2	65
+C1CCC(C1)c2c(-c3cccc(n3)-n4c(ccc4C)C)ccc(c2)O	16
+C1CCC(C1)c2c(ccc(OCCN3CCCC3)c2)-c4cccc(N)n4	72
+CN(C)CCOc1ccc(c(C2CCCC2)c1)-c3cccc(N)n3	72
+C1CCC(C1)c2cc(-c3c4c(sc(C)c4C)cc5ccccc35)ccc2OC(C)=O	225
+CC(C)(C)[Si](C)(C)Oc1ccc(C(OC)=O)cc1C2CCCC2	154
+C1CCC(C1)c2cc(C(=O)c3c(sc(C)c3C)Cc4ccc(cc4)Br)ccc2OS(=O)(=O)c5cc(O)c(C(O)=O)cc5	1163
+c1cc(ccc1Cc2sc(C)c(C)c2C(=O)c3ccc(OC)c(c3)C4CCCC4)Br	6516
+FC(F)(F)c1cc(ccc1)C(Nc2ccc(cc2)Nc3nc(C)cc(n3)Nc4cc([nH]n4)C5CCCC5)=O	55
+FC(F)(F)c1cc(ccc1)NC(=O)c2ccc(cc2)Nc3nc(cc(Nc4cc(C5CCCC5)[nH]n4)n3)C	55
+C1CCC(C1)c2cc(Nc3cc(nc(Nc4ccc(cc4)N)n3)C)n[nH]2	55
+C1CCCC1c2ccc(cc2)-c3cc(ncc3)Cl	1164
+c1cc(ccc1C(=CCO)C)C2CCCC2	2624
+c1cc(ccc1C(O)(C)CC(=O)OCC)C2CCCC2	2040
+C1CCC(C1)c2c(N)cccc2	0
+C1CCCN1S(=O)(=O)c2ccccc2Cc3c(n(c(C4CCCC4)c3C#N)CC(O)=O)C	3
+CC(C)(C)C(Nc1cc(ccc1)C=2NC(=O)c3n(c(C4CCCC4)nc3CC)N=2)=O	26
+C1CCC(C1)c2n3N=C(NC(=O)c3c(CC)n2)c4cc(N)ccc4	6517
+C1CCCC1c2n3N=C(NC(=O)c3c(C)n2)c4cc(ccc4OCCC)[N+]([O-])=O	6518
+C1CCCC1c2nc(Cl)c3c(CCC3)n2	64
+CC(C)(C)OC(=O)CCCOc1c(Cl)cc(cc1C)-c2noc(n2)-c3cc(nc(C4CCCC4)c3)OC	529
+C1CCC(C1)c2nc(cc(-c3nc(-c4cc(C)c(c(CC)c4)O)no3)c2)OC	3811
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(c(OCCOS(=O)(=O)C)c(c4)C)CC)c2)OC	7
+c1cc(ccc1OC)CC(Nc2c(noc2C(N)=O)C3CCCC3)=O	6519
+O=S(=O)(NCC)c1cc(C(Nc2sc(C3CCCC3)nn2)=O)c(F)cc1F	900
+CC(C)(C)OC(N1CCN(CC1)c2ccc(Nc3ncc4c(C)c(C(OC)=O)n(c4n3)C5CCCC5)nc2)=O	1618
+CC(C)(C)COC(=O)Nc1c(OC)cc(cc1)-c2c3c(n(C4CCCC4)c2)ncnc3N	90
+c1ccccc1CNC(=O)Nc2ccc(cc2OC)-c3c4c(n(C5CCCC5)c3)ncnc4N	406
+CC(C)(C)NC(Oc1ccc(cc1)-c2c3c(n(C4CCCC4)n2)c(F)ccc3)=O	1890
+c1cc(ccc1-c2c3c(n(C4CCCC4)n2)c(F)ccc3)OC(CC)=O	385
+c1cc(ccc1)OC(=O)Nc2cccc(C(=O)c3c4c(ncnc4N)n(C5CCCC5)c3)c2	90
+CC(C)(C)OC(N1CCN(CC1)c2nnc(Nc3nc4c(cn3)cc(C(N(C)C)=O)n4C5CCCC5)cc2)=O	1618
+c1cc(ccc1NC(=O)c2ccc3c(n(nc3CC)C4CCCC4)c2)C(=O)OC	67
+C1CCC(C1)n2c3c(c4cnc(nc24)Nc5nnc(Cl)cc5)ccnc3	6520
+CC(C)(C)[Si](C)(C)OCC1CCN(CC1)c2cnc(cc2)Nc3nc4n(C5CCCC5)c6c(nccc6c4cn3)F	3812
+CC(C)(C)[Si](C)(C)OCCN1CCN(CC1)c2cnc(cc2)Nc3nc4n(C5CCCC5)c6c(nccc6c4cn3)F	3812
+C1CCC(C1)n2c3c(c(-c4cc(OC)c(cc4)N)c2)c(N)ncn3	869
+C1CCC(C1)n2c3c(c(C(=O)c4cccc(N)c4)c2)c(ncn3)N	0
+C1CCC(C1)n2c3ncnc(N)c3c(c2)C(c4cccc([N+]([O-])=O)c4)=O	869
+C1CN(CCN1C)CCCOc2c(cccc2)Nc3nc(nc4n(cnc34)C5CCCC5)Cl	53
+FC(F)(F)c1ccc(cc1)-c2noc(C(NC3CC(O)CCC3)=O)c2	1619
+c1(ccc(OCOC)cc1OCOC)C2CC(=NO)CCC2	350
+C1(=C)CCCC(c2c(cc(OCOC)cc2)OCOC)C1	6521
+C1CC(CCCCC1)NO	3813
+C1CCCCC(CCCCCC1)C=O	24
+C1CCCCCCCCCCCCCC1C=O	24
+C1CCC(N(C1)c2ccccc2CC=O)=O	24
+C1CCC(Nc2c3cccn3ncc2C(N)=N)C(C1)C	3814
+c1cc(ccc1Oc2c(C3CC(CCC3)O)cccn2)Nc4ccccn4	1605
+C1CCC1(C#N)c2cccc(c2)OCc3ccc(cc3)-n4ccnc4C	139
+C1C(CC1)(C)C(=O)n2ccnc2	3612
+c1ccccc1COc2ccc(cc2)CCNC(=O)C3(CCC3)c4ccc(cc4OC)Cl	9
+c1cc(ccc1Br)C2(CCC2)CO	647
+c1cc(ccc1-c2cc3c(cc2Cl)[nH]cc3C=O)C4(CCC4)C(O)=O	2625
+C1CCC1(Oc2cccc(I)c2)C(=O)OCC	517
+C1CCC1(Sc2c3c(ccc(Br)c3)ncc2)C(OCC)=O	3815
+CC1(C)C(C)(C)OB(O1)c2cnc(OCC3(CCC3)C(OCC)=O)cc2C	234
+c1cc(ccc1C)S(=O)(=O)n2cc(c3cc(cnc23)F)-c4ncc(c(NC(CC(=O)OC)C5(CCC5)C)n4)F	1344
+C1CCC1(c2ccc(Cl)c(Cl)c2)CC(=O)CC	6522
+FC(F)(F)c1cc(ccc1C#N)N2C(=S)N(C3(CCC3)C2=O)c4ccc(cc4)CCCC(=O)N(C)C	6523
+CC1(C)C(C)(C)OB(O1)c2c(cc(cc2F)C3(CCC3)O)F	1327
+c1cc(ccc1)-c2nc(CCOc3cccc(c3)-c4cccc(c4)OC5(CCC5)C(=O)OCC)c(C)o2	267
+c1ccccc1COc2cccc(-c3cccc(OC4(CCC4)C(=O)OCC)c3)c2	134
+C1CCC1(C(O)=O)Sc2c3cc(ccc3ncc2)Br	3
+C1CCC1(Sc2c3c(ncc2)ccc(C#N)c3)C(OCC)=O	1572
+FC(F)(F)c1cc(ccc1)-c2cc3c(ccnc3cc2)SC4(CCC4)C(OCC)=O	11
+C1C(CC1)(C(O)=O)Sc2ccnc3c2cc(C#N)cc3	3
+C1CCC1c2c(c(F)ccc2)OC	564
+C1CCC1(CC(CC)=NO)c2cc(Cl)c(cc2)Cl	350
+C1CCC1(C#N)c2cc(O)ccc2	5
+FC(F)(F)c1nc(ncc1)Nc2cc(-c3sc(C4(CCC4)O)nc3)cc(C#N)c2	836
+C1C2(CC1)CC(Nc3cccc(F)c23)=O	1620
+C1CC(CCN1C2CCC2)CC(=O)OCC	85
+C1CC(CCN1C2CCC2)Oc3c(F)cc(cc3F)C4=NNC(=O)CC4	85
+C1CN(CCC1Oc2ccc(cc2)-n3ncc(C(OCC)=O)c3)C4CCC4	85
+c1cc(ccc1OC2CCN(CC2)C3CCC3)N4C(C)=Nc5ccccc5C4=O	85
+CC(C)(C)OC(N1CCN(CCC1)C2CCC2)=O	85
+CC(C)(C)OC(N1CCC(CC1)CC2CCN(CC2)C3CCC3)=O	85
+C1CCC1(Nc2ccc(cc2)CCCC(=O)N(C)C)C#N	1345
+C1CCC1(c2c(c(ccc2)F)OC)O	251
+C1CCC1(Nc2ccc(cc2)CCCC(NC)=O)C#N	1345
+C1C(CC1)(c2ccc(nc2Cl)C)O	1239
+FC(F)(F)c1cc(OC)c(C(NC2C(CCCC2)NC3CCC3)=O)c(SC)c1	87
+c1cc(ccc1C)NC2(CCC2)C#N	1621
+C1CCC1N2CCN(CCC2)C(=O)c3ccc(nc3)Cl	85
+O=S(=O)(c1ccc(cc1)-n2cc3CCN(CCc3n2)C4CCC4)C	85
+O=S(=O)(c1ccc(cc1)N2C(C=CC(c3cc4CCN(CCc4cc3)C5CCC5)=N2)=O)C	85
+C1C(CC1)N2CCc3ccc([N+]([O-])=O)cc3CC2	85
+C1C(CC1)N2CCc3c(cc(Oc4c(cc(cc4)I)F)cc3)CC2	85
+C1C(CC1)N(CCCc2c3cc(F)ccc3[nH]c2)C4Cc5c(ccc(F)c5OC4)C(N)=O	85
+C1C(CC1)N(CCCc2c[nH]c3c2cc(C#N)cc3)C4COc5cccc(OC)c5C4	85
+C1CCC1(O)c2cc(F)cc(F)c2	251
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4ccc(C(NC)=O)cc4OC	85
+C1CN(CCC1Oc2ccc(cc2)N3CCN(C(OCc4ccccc4)=O)CC3=O)C5CCC5	85
+c1cc(ccc1-n2nc3CCN(CCc3c2)C4CCC4)NS(=O)(=O)C	85
+C1C(CC1)N2CCc3c(cc(OCc4ccccc4)cc3)CC2	85
+C1C(CC1)(c2nccs2)O	3679
+CC(C)(C)OC(=O)Nc1c(C#CC2CCC2)cc(Cl)nc1	1243
+CC(C)c1c(O)c(C(=O)C2CCC2)ccc1	805
+C1C(CC1)c2nc3c(N(CCCCC)C(NC3=O)=S)[nH]2	6524
+C1CN(CCO1)C(=O)N2CCN(CCC2)c3nc(c4cc(c(cc4n3)OC)OCC5CCC5)N	116
+c1ccnc(OC)c1CCOc2c3cc(C(=O)O)[nH]c3ccc2	3816
+OC(=O)c1cc2c(cccc2OCCc3ccccc3OC)[nH]1	3816
+C1CCC1COc2c3c(ccc2)[nH]c(c3)C(O)=O	6
+C1CCC1Cc2csc(n2)C#N	6525
+C1CCC1Cc2nc(C(=N)NO)sc2	6526
+C1CCC1Cc2csc(C(N)=O)n2	6527
+CC(C)(C)NC(c1cc(CN2C(C)(C)CN(C(=O)c3cc(F)c(cc3)NC(NC4CCC4)=O)CC2)ccc1)=O	3817
+FC(F)(F)c1ccc(C(NC2CCC2)=O)c(O)n1	56
+C1CCC1NCCC#N	1287
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(c(S(=O)(=O)NC3CCC3)c2)OC	71
+C1C(CC1)Nc2cccc(F)c2	3436
+C1C(CC1)N2C(Cc3cc(ccc23)[N+]([O-])=O)=O	1611
+c1(cc(cc(Cl)c1Oc2ccc(c(C(=O)NC3CCC3)c2)OC)COC)Cl	14
+C1CCC1NCc2ccc(cc2)N3CCN(CC3)C(C)=O	42
+FC1(F)CN(C2CCC2)c3nc(Cl)ncc3NC1=O	1622
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)S(=O)(=O)N(C3CCC3)c4cccc(F)c4	57
+C1C(CC1)N2CCC3(CCN(CC3)S(=O)(=O)c4ccc(cc4)C(=O)C)CC2	92
+C1C(CC1)N2CCC3(CCN(CC3)c4nnc(cc4)Cl)CC2	212
+C1CCC1N2CCc3sc(nc3CC2)-c4ccc(cc4)N5CCN(C5=O)C	2626
+c1cc(ccc1)C2=C(N)c3cnc(nc3N(C4CCC4)C2=O)SC	3818
+FC1(F)C(N(c2c(nc(nc2)Nc3ccc(cc3)C(O)=O)N(C1)C4CCC4)C)=O	55
+C1C(CC1)NCCCN	51
+C1CCC1N(Cc2ccc(cc2)N3CCN(CC3)C(C)=O)S(=O)(=O)Cc4ccccc4	112
+C1CCC1Oc2nc(N)c3c(n2)n(C4OCCCC4)cn3	6528
+C1CCC1OC(=O)N2CCN(CC2)C(=O)OCc3ccccc3	3630
+COc1cc(cc(OC)c1Br)COC2CCC2	555
+C1C(CC1)OC(N2CCC(CC2)N(C)Cc3ccc(nc3)-c4ccc(cc4)S(=O)(=O)C)=O	1468
+C1C(CC1)OC(=O)N2CCNCC2	62
+CC1(C)OB(OC1(C)C)c2ccc3N(C(C)CCc3c2OC4CCC4)C(C5CC5)=O	17
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3ccc4c(CCC(C)N4C(C5CC5)=O)c3OC6CCC6)cn2	320
+C1CCC1Oc2c(-n3nccc3)ccc4N(C(C5CC5)=O)C(C)CCc24	901
+CC1(C)OB(OC1(C)C)c2c(c3CCC(C)N(c3cc2)C(OC)=O)OC4CCC4	17
+C1CCC1Oc2nc(c3nc(OC)n(C4OCCCC4)c3n2)N	1010
+CC1(C)OB(OC1(C)C)c2ccc(cc2OC)S(=O)(=O)C3CCC3	17
+C1CCC1c2[nH]c3nccc(Cl)c3c2	6529
+c1cc(ccc1C#N)COc2c(ccc(c2F)-c3cc4OCCNc4nc3)C5CCC5	22
+CC(C)OB(OC(C)C)c1ccc(C2CCC2)c(OC)c1F	1327
+OB(O)c1ccc(C2CCC2)c(c1F)OC	1509
+CCOC(OCC)c1cc(Br)cc(C2CCC2)c1OC	6530
+C1C(CC1)c2[nH]c3c(ccc[n+]3[O-])c2	6531
+C1CCC1n2cc(C#N)c3ccc(O)cc23	5
+CC(C)(C)OC(=O)NC1CN(c2c(cncc2)NC(c3nc4n(C5CCC5)ccc4cc3)=O)CC(C)C1	510
+C1CCCC12CCCC(C2O)C(OC)=O	770
+c1cc(ccc1)COc2cc(C(N3CCC(CC3)N4C(C5(CCCC5)C(c6cc(c(OC)cc6)OC)=N4)=O)=O)c(C)cc2	30
+C1CCC2(C1)c3ccc(N)cc3C(C2)=O	0
+C1CCC2(C1)CC(CC=O)(CCO2)n3nccc3	1981
+C1CCCC12CC(CCNCc3cccs3)(CCO2)n4nccc4	110
+C1CCC2(C1)C(=O)C(CCC2)C(OC)=O	6532
+c1cc(ccc1)CN2C3(CCCC3)CNC(C)(C)C2	15
+C1CCC2(C1)c3ccc(cc3C(=O)C2)O	477
+C1CCCC12CC(c3cc(OC)ccc23)=O	65
+C1CCC2(C1)CC(=O)c3cc(ccc23)[N+](=O)[O-]	77
+C1CCN2CCCC1(CN)C2	15
+CC(C)(C)[Si](C)(C)OC1CCCC2(C(CCCC12)=O)C	19
+C[Si](C)(C)C#Cc1ccc(N2C3CCCC3N(C)C2=O)nc1	3819
+C1CC(C(O)=O)=C(C(=O)Nc2sc3CCCc3c2-c4onc(C)n4)CC1	3788
+C1(C2=C(C(=O)N1c3cc(ccc3F)O)CCCC2)=O	2380
+c1cc(ccc1SCC2CCCCC2C(NCC#N)=O)SC	636
+C1CCCC(CC1)(NC(=O)c2ccc(OC)c(OC(C)=O)c2)C(OC)=O	259
+C1CCCC(CC1)(O)CC(Nc2c(C)ccc3C(=O)N(C=Cc23)C(CO)C)=O	59
+C1CCCC(CC1)(CNC(c2cccc3C(=O)N(C=Cc23)Cc4ccc(cc4)F)=O)O	6533
+C1CCCC(CC1)N2CCC3(CC2)OC(N(C)c4ccccc34)=O	6534
+C1CCCCC(C1)Oc2ccc(nc2)Cl	1346
+C1CN(CCN1C(=O)NC2CCCCC(O)C2)c3ccnc4cc(Cl)ccc34	2041
+CC(C)(C)OC(N1CCC(CC1)NC2CCCCC2CN=[N+]=[N-])=O	87
+c1cc(ccc1OC=2C=NN(C(C(=O)O)CC3CCCC3)C(C=2)=O)OC	6535
+C1CCOC(N2C(C(Cl)=C(Oc3c(cccc3)C(C)=O)C=N2)=O)C1	3820
+C1CCOC(N2C(C(=C(Oc3c(C)c(C)ccc3C)C=N2)Cl)=O)C1	3820
+FC(F)(F)c1c(ccc(c1)-c2cc3c(ncn3C4CCCCO4)c(C#N)n2)OCCCO	1165
+CC1(C)OB(OC1(C)C)c2cc(C)c3c(n(C4CCCCO4)cn3)c2	1623
+C1CCCC(O1)n2cnc3c2ccc(C#N)c3Cl	2627
+C1CCCC(n2c(OC)nc3c(nc(OC(CC)C)nc23)N)O1	1010
+C1CCCC(n2c(OC)nc3c(nc(OC(CCC)C)nc23)N)O1	1010
+C1CCCC(n2c(OC)nc3c(nc(OCC(C)CC)nc23)N)O1	1010
+CCC#Cc1ccc2c(c1Cl)cnn2C3CCCCO3	3729
+c1cc([N+]([O-])=O)cc(F)c1Oc2c(cc3n(C4CCCCO4)ncc3c2)C(=O)OCC	46
+c12ccc(-c3c(CC)cc(OC)c(c3)F)cc1n[nH]c2	804
+C1CC1c2c(-c3ncc4c(c3)n(nc4)C5CCCCO5)cc(F)c(c2)OC	3821
+c1ccccc1COc2ccc3c(nn(c3c2)C4OCCCC4)C(OCC)=O	22
+[N-]=[N+]=NCc1ccc2c(c1)n(C3CCCCO3)nc2	545
+C1CCCC(n2c3ccc(C#CC=O)cc3cn2)O1	2628
+CC(C)COc1ccc2c(c(nn2C3OCCCC3)C=O)c1	116
+c1cc(ccc1Oc2ccc3c(c(nn3C4OCCCC4)C=O)c2)[N+](=O)[O-]	46
+c1cc([N+]([O-])=O)cc2c(nn(C3CCCCO3)c12)-c4[nH]c5c(cccc5)n4	567
+c1(ccccc1-c2nn(C3CCCCO3)c4ccc(C#N)cc24)OC	1624
+c1cc(ccc1)CN2C(C)CC(Cn3c4ccc(-c5cn(C6CCCCO6)nc5)cc4cn3)C2	6536
+c1cc(ccc1)CCC(=O)N2C(C)CC(C2)Cn3ncc4c3ccc(-c5cn(C6CCCCO6)nc5)c4	58
+c1ccccc1S(=O)(=O)n2ccc3c2ncc(-c4c(-c5ccnc(SC)n5)cn(C6CCCCO6)n4)c3	276
+C1CC(CCN1C(=O)OCc2ccccc2)Cn3c4c(nc(cc4)-c5cn(nc5)C6CCCCO6)cc3	6537
+CC1(C)OB(OC1(C)C)c2cn(C3CCCCO3)nc2	2611
+C1CCCC(n2cnc(-c3sc(-c4ccnc(NC(OC)=O)c4)c(C#N)c3Br)n2)O1	6538
+C1CCCC(n2cnc3c2nc(nc3N)OCC(C)CC)O1	482
+C1CCCC(n2cnc3c2nc(nc3N)OC(CCC)C)O1	482
+CC(C)(C)OC(=O)N1CCN(C(C)c2cnc(F)c(-c3nc(nc4n(cnc34)C5CCCCO5)C)c2)C(C1)C	3822
+CC(C)(C)OC(N1CCN(CC1)Cc2cc(-c3c4c(n(cn4)C5CCCCO5)nc(n3)C)c(nc2)F)=O	3822
+CC(C)(C)OC(=O)N1CCCC(Nc2nc(Cl)nc3n(C4OCCCC4)cnc23)C1	516
+C1CCCC(n2cnc3c2nc(Cl)nc3N)O1	1095
+c1cc(ccc1)C(c2ccccc2)CNc3nc(Cl)nc4c3ncn4C5OCCCC5	516
+c1(nc(c2c(n1)n(cn2)C3CCCCO3)N)NC(CCC)C	1333
+CC(C)(C)OC(=O)N1CC(C1)c2c(OC)c(cc(c2C)Cl)C(C)Nc3c4ncn(c4ncn3)C5CCCCO5	2042
+c1cc(ccc1[N+]([O-])=O)Oc2c3ncn(C4OCCCC4)c3ncn2	6539
+n1c2cccnc2c(-c3ccc(cc3F)C(=O)OC)[nH]1	6540
+C1CCCCN1CCOc2cc3c([nH]c(-c4nn(cc4[N+]([O-])=O)C5OCCCC5)n3)cc2F	567
+N1(C)CCN(c2c(cc3nc([nH]c3c2)-c4c([N+]([O-])=O)cn(C5CCCCO5)n4)F)CCC1	567
+CN(C)CCNc1c(F)cc2[nH]c(nc2c1)-c3nn(cc3[N+]([O-])=O)C4OCCCC4	567
+C1CCCC(n2nc(c3cccnc23)CCO)O1	95
+Clc1cc(C#N)cc(c1)OC2=C(C)C=CN(CCc3c4cccnc4n(n3)C5CCCCO5)C2=O	6541
+FC(F)(c1ccccc1)c2nc(on2)C3CCC(Nc4c5c([nH]nc5)ncn4)C3	6542
+c1ccccc1-c2nc(on2)C3CCC(Nc4ncnc5c4cnn5C6OCCCC6)C3	3823
+C1CN(CCC1Nc2c3c(ncn2)n(C4OCCCC4)nc3)CC(F)(F)Cc5ccccc5	3823
+c1cc(ccc1C2(CCCC2)C(NCC(=O)OC)=O)-c3ccc(cc3)CCN4C(CCC4)C	188
+C1CCCC1(C(O)=O)Cc2ccccc2	3
+C1CCCC1(c2c(Cl)c(cs2)C)C(=O)NN	1296
+c1c(Cl)c(c(cc1)Cl)C(Nc2ccc(cc2)CC(NC(=S)C3(CCCC3)CCCCS(=O)(=O)C)C(=O)OC)=O	50
+c1cc(ccc1NC(c2c(Cl)cccc2Cl)=O)CC(NC(=O)C3(CCCC3)CCOC)C(OC)=O	188
+c1cc(ccc1CC(C(OC)=O)NC(C2(CCCC2)Cc3ccccc3)=O)[N+]([O-])=O	188
+C1CCCC1(C(Cl)=O)c2c(Cl)c(cs2)C	130
+C1CCC(C1)(CC(N)=N)c2c3c(ccc2)cccc3	3824
+C1CCC(C1)(CC(Cl)=C)C(O)=O	4
+CC(C)(C)OC(c1c(OCc2ccccc2)c(O)nc(CC3(CCCC3)c4ccc(cc4)Br)n1)=O	6543
+C1CCCC1(C(O)=O)CCOC	4
+C1CCCC1(C#N)COCc2ccccc2	149
+CC(C)(C)OC(=O)NCC1(CCCC1)CO	37
+C1CCCC1(COS(=O)(=O)C)c2c3ccccc3ccc2	7
+C1CCCC1(CC#N)c2cccc3ccccc23	300
+C1CCCC1(NC(=O)c2ccc3c(c2OCC4Oc5ccccc5OC4)cccc3)C(=O)OC	259
+C1CCCC1(C(O)=O)NC(c2ccc3ccccc3c2OCC4Oc5ccccc5OC4)=O	4
+C1CCCC1(c2ccc(cc2)O)C	957
+C=1CCCC=1c2ccncc2Br	252
+C1CCCC1(O)c2c(cncc2)N3C(N(c4cc(ncc4)Cl)CC3)=O	3825
+C1CCC(C1)(c2scc(c2Cl)C)C(NNC(NC)=S)=O	6544
+C1CCCC1(c2c(c(cs2)C)Cl)c3nnc4n3CCCCC4	3826
+c1cc(ccc1Br)C2(CCCC2)CC#N	300
+C1CC(CCC1C2(CCCC2)C)O	2391
+CC(C)(C)OC(=O)c1nc(CC2(CCCC2)c3ncccc3)nc(O)c1OCc4ccccc4	6545
+C1CCCC12C(CN(C(CC#N)=O)C2)Nc3nc(Nc4cn(C)nc4)ncc3C	10
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(C3(CCCC3)C(c4cc(c(OC)cc4)OC)=N2)=O	6546
+C1CC(CCC1)N2N(C(C)=C(NC(c3noc(C4=CCC5(CCCC5)CC4)c3C)=O)C2=O)C	2629
+C1CCCC12CC=C(c3c(C)c(C(=O)O)no3)CC2	6
+C1CCC2(C1)C(OS(=O)(=O)C)C(C(=O)OC)CCC2	7
+C1CCC(C1)(Sc2ccc(cc2)Oc3ccccc3)CC(=O)O	6547
+C1CCCC1c2c(C(=O)OCC)c(C3CCCC3)on2	6548
+C1CCCC1C(CC#N)=O	1982
+C1CCCC1C(c2ccc(cc2)Cl)C(O)=O	4
+C1CCC(C1)C(C(OC)=O)c2cc(CC(=C)C)c(O)cc2	1625
+C1CCCC1c2cc(n[nH]2)N	3321
+Clc1cccc(Cl)c1-c2noc(C3CCCC3)c2C(=O)OCC	6549
+C1CCCC1c2n(CC(OCC)=O)c(cc2)C	6550
+C1CN(CCN1C2CCCC2)c3nccc(NC(C4CCCC4)=O)n3	195
+FC(F)(F)c1cc(cc(NC(=O)C2CCCC2)c1)-c3cnco3	26
+c1cc(ccc1NC(=O)C2CCCC2)S(=O)(=O)C	26
+C1CCC(C1)C(=O)Nc2c3c([nH]c2)ncc(Cl)c3F	308
+C1CCCC1C(=O)Nc2cccc(NC=3C=C4N(CCc5c4ccc(OC)c5)C(=O)N=3)c2	6551
+C1CCC(C1)C(NC(CC)c2c(nc(-c3cc(ccc3)[N+](=O)[O-])nn2)O)=O	68
+C1CCC(C1)C(NC(c2c(nc(C3OCCC3)nn2)O)CC)=O	68
+CC(C)(C)OC(N1CCCC(c2nc(C3CCCC3)on2)C1)=O	1166
+C1CCC(C1)C(=O)NCCn2c3CCN(Cc3c4cc(ccc24)C)C	9
+C1CC(CCN1C)OC(C(c2cccc(F)c2)(C)C3CCCC3)=O	2630
+CC(C)(C)OC(C1(CC1)Cc2cc(ccc2)NC(=O)C(c3ccc(cc3)COC(C)=O)C4CCCC4)=O	33
+CC(C)(C)OC(C1(CC1)Cc2cc(ccc2)NC(=O)C(C3CCCC3)c4ccc(cc4)Cl)=O	33
+c1ccccc1C(C2CCCC2)(C(O)=O)C	4
+C1CCCC1C2(CCN(CC2)c3ccc(cc3)C(=O)NN)OC	1094
+c1cc(ccc1F)Cc2nc(on2)C3=C(OCc4ccccc4)C(=O)N(C(=N3)C5CCCC5)C	6552
+CC(C)OC(c1cc2c(cc1)C3=NN(C(C4CCCC4)C3CC2)c5cc(Cl)c(C#N)cc5)=O	47
+C1CCCC1C2N(N=C3c4ccc(cc4CCC23)C(=O)O)c5cc(Cl)c(C#N)cc5	1
+C1CCCC1C2=NC(=C(C(=O)N2C)OCc3ccccc3)C(O)=O	108
+C1CCCC1C=C(c2n(c3ncc(OC(C)C)cc3c2)S(=O)(=O)c4ccccc4)c5ccc(cc5)S(=O)(=O)C	2034
+C1CCCC1C=C(c2ccc(cc2)S(=O)(=O)C)c3cc4c(ncc(c4)O)n3S(=O)(=O)c5ccccc5	390
+C1CCC(C1)C=C(c2cc3c(ncc(c3)OC(C)C)[nH]2)c4ccc(cc4)S(=O)(=O)C	1017
+C1CCCC1CC#Cc2cc(C(=O)NC(CO)Cc3c[nH]c4ccccc34)c(OC(C)C)cc2	121
+C1CCCC1CC(=O)Nc2cnc3n(ccc3c2NC4CCN(CC4)S(=O)(=O)C)S(=O)(=O)c5ccccc5	112
+c1cc(ccc1C(CC2CCCC2)=O)CCl	109
+C1CCC(C1)CC(CN(OCc2ccccc2)C=O)C(=O)NNc3nc(nc(N4CCN(CC4)C)c3F)CC	355
+C1CCCC1CC(C(=O)Nc2ccn(CC(C)(C)O)n2)N3N=CC=CC3=O	142
+C1CCCC1CC(C(OC)=O)O	27
+C1CCCC1CC(C(Nc2ncc(Br)cc2)=O)c3ccc(c(F)c3)-n4c(nnn4)C	142
+C1CCC(C1)CC(C(=O)Nc2sccn2)c3ccc(cc3)-c4ccc5c(c4)cc[nH]5	373
+c1cc(ccc1C(C(Nc2ccccn2)=O)CC3CCCC3)-c4cnccc4	142
+C1CCC(C1)CC(c2ccc(cc2)I)C(OC)=O	27
+c1ccccc1C(=O)Nc2ccc(cc2)C(CC3CCCC3)C(=O)Nc4sccn4	373
+c1cc(ccc1N)C(CC2CCCC2)C(=O)O	0
+c1cc(ccc1C(C(=O)Nc2sccn2)CC3CCCC3)[N+]([O-])=O	373
+C1CCCC1CC(C(NC2CCCN(S(=O)(=O)c3ccccn3)CC2O)=O)NC(=O)c4occc4	2043
+C1CCCC1CC(C(NC2C(O)CNCCC2)=O)NC(=O)c3occc3	62
+C1CCCC1CC(NC(=O)c2occc2)C(=O)NC3CCCN(S(=O)(=O)c4ccccn4)CC3=O	86
+C1CCCC1CC(N)C(OC)=O	27
+C1CCCC1CC(C(=O)O)O	2631
+C1CCCC1CC(c2ccc(S(=O)(=O)C)c(c2)Cl)C(O)=O	902
+C1CCCC1CC(C(OC)=O)N2C(C=C(Oc3c(C)ccc(C)c3C)C=N2)=O	3827
+C1CCCC1CC(N2C(=O)C=C(C=N2)Oc3c(cccc3)C(=O)C)C(OC)=O	3827
+C1CCCC1CC(N2C(C=CC=N2)=O)C(OC)=O	6553
+C1CCC(C1)CC(C(=O)O)N2C(C=C(Oc3c(C)ccc(C)c3C)C=N2)=O	4
+c1cc(ccc1C(C(N)CC2CCCC2)N)Cl	2526
+FC(F)(F)c1cccc2c1CN(C2=O)C(C(OC)=O)CC3CCCC3	1880
+C1CCC(C1)CC(N2C(C=C(Oc3c(cccc3)C(=O)C)C=N2)=O)C(=O)O	4
+C1CCCC1CC(C(=O)O)N2N=CC=CC2=O	4
+C1CCCC1CC(C(=O)Nc2nc3ccccc3cc2)c4cc(C#N)c(cc4)S(=O)(=O)C	142
+c1cc(ccc1C#N)Cn2ccc(NC(=O)C(c3cc(c(S(=O)(=O)C)cc3)Cl)CC4CCCC4)n2	6554
+C1CCCC1CC(c2cc(c(S(=O)(=O)C)cc2)Cl)C(=O)Nc3ccn(n3)C	142
+C1CCCC1CC(C(=O)Nc2ncc(nc2)CC#N)c3cc(c(S(=O)(=O)C)cc3)Cl	1018
+c1cc(ccc1C(C(=O)Nc2sccn2)CC3CCCC3)Br	373
+CN(C)CC#Cc1ccc(cc1)C(C(=O)Nc2sccn2)CC3CCCC3	373
+c1cc(ccc1C#Cc2ncccc2)C(C(=O)Nc3sccn3)CC4CCCC4	373
+C1CCCC1CCC(=O)N2CCC3c4cccc(OC)c4CCC23	58
+CC(C)(C)OC(C(O)=O)c1c(nc2cc(nn2c1-c3cc(c4c(CCCO4)c3C)F)NC(=O)CCC5CCCC5)C	195
+C(c1cccc(CC)c1NC(CCC2CCCC2)=O)C	26
+FC(F)(F)c1cc(Br)cc(Cl)c1NC(=O)CCC2CCCC2	26
+C1CCC(C1)CCC(Nc2c([N+](=O)[O-])cc3C(CCc3c2)=O)=O	26
+C1CCC(C1)CCCN2C3CCc4c(cccc4C3CC2)OC	15
+C1CCCC1CCCC=O	3828
+C1CCCC1CCCCO	237
+C1CCCC1CCC=O	24
+FC(F)(F)c1c(cc(C(C(OC)=O)CC2CCCC2)cc1)F	434
+FC(F)(F)c1cc(C(C(O)=O)CC2CCCC2)ccc1F	434
+C1CCC(C1)CC(C(OC)=O)c2cc(c(SC)cc2)Cl	434
+C1CCC(C1)CC(c2ccc(c(Cl)c2)Cl)C(O)=O	434
+C1CCCC1CC(c2ccc(cc2)Br)C(=O)O	434
+C1CCC(C1)CC(c2ccc(cc2)OCc3ccccc3)C(OC)=O	434
+c1cc(ccc1C(C(OCC)=O)CC2CCCC2)S(=O)(=O)CC(C)=O	434
+C1CCCC1CC(C(=O)O)c2ccc(cc2)I	434
+C1CCC(C1)CC(c2ccc(cc2)[N+]([O-])=O)C(OCC)=O	434
+C1CCCC1CNc2c([N+]([O-])=O)cc(cc2)N(S(=O)(=O)c3ccccc3)C	60
+C1CCCC1CN(c2ccc(nc2C=O)OC)CC	178
+C1CCCC1CN(CC)c2c(nc(cc2)OC)CO	1262
+CC(C)(C)OC(=O)c1ccc(Cn2cc(C=O)c3c2cc(cc3)CC(NCC4CCCC4)=O)c(OC)c1	190
+C1CCCC1CNC(=O)Cc2cc3[nH]cc(C=O)c3cc2	287
+C1CCCC1CNc2c(N)cc(cc2)N(C)S(=O)(=O)c3ccccc3	0
+C1CCCC1CS(=O)(=O)NC(=O)C2CCN(CC2)c3nc(C)c(cc3C#N)C(OC(C)C)=O	344
+C1CCCC1Oc2cc(O)c(C=O)cc2	313
+C1CCCC1NCCc2ccc(cc2)OC	6555
+C1CCCC1Oc2ccc(cc2)Cc3cc(ccc3Cl)Br	313
+C1CCC(C1)Nc2n3nc(-c4ccco4)c(c3ccc2)-c5nc(NC6CCCC6)ncc5	1162
+C1CCC(C1)Nc2nccc(n2)-c3c(nn4c(NC5CCCC5)cccc34)Cc6ccccc6	1162
+C1CCC(C1)Nc2nc(ccc2)CCOC3OCCCC3	340
+CC(C)(C)OC(=O)NC(C(=O)NC1CCCC1)CC#N	9
+C1CCCC1Nc2cc(ccn2)-c3c(c4ccccn4n3)-c5ccnc(NC(C)C)n5	182
+C[Si](C)(C)CCOCn1c2nc(Cl)nc(c2c(I)c1)NC3CCCC3	974
+C1CCCC1Nc2c(C)c(C)nc(NCc3ccccn3)n2	40
+C1CCCC1Nc2cc(ccc2C#N)Cl	60
+C1CCCC1Nc2ncccc2C(=O)c3c4c([nH]c3)cc(Cl)cc4	70
+C1CCCC1Nc2nc(Cl)ncc2[N+](=O)[O-]	40
+c1(nc(nc(Cl)c1)NC2CCCC2)Cl	96
+FC(F)(C)C(=O)NC(C)C(Oc1cc2cnn(-c3cccc(c3)C(=O)NC4CCCC4)c2cc1)c5ccc(OC)nc5	2527
+C1CCC(C1)NCC(=O)N2C(C#N)CCC2C	402
+C1CCC(C1)Nc2c(nc(c(n2)C#N)C#N)N	464
+C1CCC(C1)Nc2ccc(cc2)S(=O)(=O)Oc3ccc4nc(Nc5cc(c(cc5)OC)OC)n(c4c3)Cc6ccccc6	60
+C1CCC(C1)NS(=O)(=O)c2cc(cc3ncccc23)-c4c(noc4C)C	71
+C1CCCC1NCc2cccc(OCC3OC3)c2	42
+C1CCC(C1)Nc2cc(ccn2)-c3c(nn4ccccc34)-c5nc(sc5)C	182
+C1CCCC1Nc2cc(Cl)nc(NC3CCCC3)n2	40
+C1CCC(C1)Nc2cc(cc3c(c(nn23)-c4ccc(cc4)OC)-c5nc(SC)ncc5)Cl	1162
+c1cc(ccc1C(CBr)=O)S(=O)(=O)NC2CCCC2	71
+C1N(CC1)C2=NC3C(O)C(O)C(CNC4CCCC4)OC3S2	463
+C1CCC(C1)Nc2cccc3c(c(nn23)-c4ccc(cc4)F)Br	1162
+c1cc(ccc1F)-c2n(-c3nc(ncc3)NC4CCCC4)c5ccc(nc5n2)Cl	306
+C1CCC(C1)NCc2ccc(cc2)N3c4c(cc(c(c4Cl)N5CCN(CC5)c6ccccn6)F)C(=O)C(C(OCC)=O)=C3	370
+c1cc(ccc1OC)CN2C(=O)C(=C(CNC3CCCC3)N(CCC)C2=O)[N+](=O)[O-]	6556
+C1CCC(C1)Nc2cccc3c(c(nn23)-c4ccncc4)C(C)=O	1162
+C1CCCC1Nc2c3n(c4c(cccc4)n2)c(C)nn3	3829
+C1CCCC1Nc2c(I)c(Cl)nc(CC)n2	40
+C1CCCC1N2CC(C(Nc3cnc(Cl)nc23)=O)CCC	1622
+C1CCCC1N2c3c(cnc(Cl)n3)NC(C(C)(C2)F)=O	1622
+C1CCCC1N2CC(F)(F)C(=O)Nc3cnc(Cl)nc23	1622
+c1cc(ccc1C(=O)NN(c2c(Br)cnc(C#N)n2)C3CCCC3)CCl	1798
+C1CCCC1N2c3c(NC(C2CC)=O)cnc(Cl)n3	2044
+C1(C)CN(CC(C)O1)c2ccc(Nc3ncc4C(=C(C(=O)N(C5CCCC5)c4n3)C(C)=O)C)nc2	6557
+C1CCCC1N2N(C(CN3CCN(CC3)c4c(ccc(Cl)c4)OC)=C(C2=O)Cl)C	3830
+C1CCCC1N2C(CC)C(=O)N(C)c3cnc(nc23)-c4c(cncc4)CNS(=O)(=O)C	111
+C1CCCC1N2CCc3c(cc(cc3)O)C2=O	5
+C1CCC(C1)N2c3nc(ncc3N(C(=O)C(F)(C)C2)C)Nc4ccc(cc4OC)C(=O)O	55
+CC1(C)C(N(c2c(N(C3CCCC3)C1)nc(Cl)nc2)C)=O	998
+C1CCCC1N2c3c(cc(F)c(NC4CCCCC4)c3)C(=O)C(Oc5ccc(cc5)C(O)=O)=C2	872
+FC1(F)C(N(c2c(nc(Nc3cc(F)c(C(=O)OC)cc3OC)nc2)N(C4CCCC4)C1)C)=O	55
+C1CCCC1N2CC(C(=O)N(C)c3c2nc(Cl)nc3)(C)F	998
+C1CCCC1N2c3c(cnc(Nc4c(cc(C(=O)NC5CN6CCC5CC6)cc4)OC)n3)N(C)C(C(C)(C)C2)=O	14
+C1CCCC1NC(C2(C(=O)NCCC2)COc3cccc(N)c3C#N)=O	623
+C1CCCC1NC(=O)C2(C(=O)NCCC2)COc3c(C(N)=N)c(ccc3)N	6558
+C1CCCC1NC(=O)C2(COc3cccc(N)c3C(NO)=N)C(=O)NCCC2	181
+C1CCCC1NC(=O)C2(C(=O)NCCC2)COc3cccc(c3C#N)F	57
+C1CCCC1N(CC(C(=O)OCC)CCC)c2nc(Cl)ncc2[N+](=O)[O-]	54
+C1CCCC1N(CC(C(OCC)=O)(C)F)c2nc(Cl)ncc2[N+]([O-])=O	54
+c1cc(ccc1)CN(C2CCCC2)CC(C(OCC)=O)(O)C	131
+CC(C)(C)OC(N(Cc1cc(ccc1)OCC2OC2)C3CCCC3)=O	23
+O=S1(=O)CCC(Nc2c(C)c(C)nc(NCc3ccccn3)n2)C1	3793
+c1(F)cc(Nc2nc(NCc3ccccn3)nc(c2C)C)ccc1F	6559
+C1CCC(C1)Nc2c(C(=O)Nc3cc4c(CCC(=O)N4C)cc3)ccc(c2)Cl	67
+C1CCC(C1)Nc2nc(N3CCNCC3)cc(n2)NC4CCCC4	54
+C1CCCC1Nc2cc(Cl)ccc2C(=O)O	3831
+C1CCCC1Nc2nccc(-c3nn4c(cccc4Cl)c3-c5nc(NC(C)C)ncc5)c2	2621
+C1CCC(C1)Nc2nc(ccn2)-c3c(nn4c(nccc34)SC)-c5cc(Cl)ccc5	6560
+c1ccccc1CCNc2ncccc2C(c3c[nH]c4cc(Cl)ccc34)=O	6561
+C1CCC(C1)OC(=O)Nc2ccc3c(n(Cc4ccc(C(=O)OC)cc4OC)nc3OC)c2	90
+C1CCCC1OCC(Nc2nn3c(nc(cc3C)C)c2-c4cc(C)c(cc4)Cl)=O	195
+C1CCCC1OCC(Cl)=O	130
+O=S(=O)(C)c1c(Cl)cc(cc1)C(=NOC2CCCC2)C(Nc3nn(CCC)cc3)=O	6562
+C1CCC(C1)Oc2cc(c(F)cc2Cl)NC(OC)=O	6563
+C1CCCC1Oc2c(OC)cc(cc2)CC(O)=O	4
+C1CCCC1Oc2cc(C(=O)Cl)ccc2SC	82
+C1CCCC1Oc2cc(NC(=O)C=3CCCCC=3C(NCCCC)=O)c(F)cc2Cl	3440
+C1CCCC1Oc2c(SC)ccc(C(O)=O)c2	1
+Clc1cncc(Cl)c1NC(c2ccc(SC)c(OC3CCCC3)c2)=O	50
+C1CCC(C1)Oc2cc(ccc2OC)C=3CC(ON=3)(CC(=O)OC)C(O)=O	4
+FC(F)(F)S(=O)(=O)Oc1cc(OC2CCCC2)ccc1C=O	166
+C1CCCC1Oc2cc3c(cc2OC)C(Cc4cc(OC)ccc4)NC=C3C=O	6564
+C1CCC(C1)Oc2c(OC)cc3c(Cc4cc(OC)ccc4)ncc(C=O)c3c2	6565
+FC(F)(F)c1nn(-c2ccc(cc2)CNS(=O)(=O)C3CCCC3)c4c1CCCC4	111
+C1CCC(C1)Sc2c(C=CC(=O)NC3C(CCCC3)O)cccc2	2632
+C1CCCC1c2ccc(cc2)-c3c(cn(C)c3C(OCC)=O)C#N	6566
+C1CCC(C1)c2c(CO)c(on2)C3CCCC3	903
+C1CCCC1c2c3c(c(O)nc(CNC(C)=O)n3)[nH]n2	6567
+C1CCC(C1)c2c(C(O)=O)c(Cl)ccc2	1
+C1CCC(C1)c2noc(C(=O)N)c2N	6568
+C1CCCC1c2ccncc2N3C(=O)N(c4ccnc(Cl)c4)CC3	3825
+C1CCCC1c2c3c(n[nH]2)c(nc(CN)n3)O	524
+C1CCCC1c2n[nH]c3c(O)nc(CNCCCl)nc23	110
+O=S(=O)(Cl)c1ccc(OCC)c(-c2nc3c(noc3c(O)n2)C4CCCC4)c1	240
+C1CCCC1c2c(OCc3ccccc3)ccc(C=CC(=O)OCC)c2	530
+C1CCCC1c2c(OC(=O)OC)cc(N)c(c2)Cl	0
+C1CCC(C1)c2cc(O)c(cc2)C=O	491
+c1ccccc1COc2cc(ccc2)C3CCCC3	22
+C1CCC(C1)c2cc(n[nH]2)Nc3cc(C)nc(Cl)n3	349
+c1cc(ccc1C2CCCC2)-c3ccnc(c3)-c4c5c(c6ccc(C)nc6o5)ccc4	6569
+c1cc(ccc1N2C(=O)c3ccccc3N=C2c4cnc(Cl)cc4)C5CCCC5	6570
+O=S(=O)(N1CCCC1)c2ccccc2Cc3c(n(CC(OCC)=O)c(C4CCCC4)c3)C	1919
+C1CCCC1c2nc(C)c3C(NC(=Nn23)c4cc(N)ccc4OCCC)=O	0
+C1CCCC1c2n3N=C(NC(=O)c3c(C)n2)c4cc(NS(=O)(=O)c5cc(C#N)ccc5)ccc4OCCC	69
+C1CCCC1c2c(c(on2)C(=O)N)[N+](=O)[O-]	2633
+c1(Cl)cccc(Cl)c1-c2noc(c2COc3ccc(cc3)-c4cc5c(cc4)nc(cc5)C(OC)=O)C6CCCC6	20
+C1CCCC1n2c(cc3c2nc(Cl)nc3)C(O)=O	2634
+C1CCC(C1)N2C=3C(C(=O)N=C(c4c(OCC(OCC)=O)cccc4)N=3)=C(CC)N2	2635
+C1CCC(C1)N2C3=NC(c4cc(OCC(OCC)=O)ccc4)=NC(=O)C3=C(N2)CC	2635
+C1CCC(C1)N2C3=NC(c4cccc(OCc5ccncc5)c4)=NC(=O)C3=C(N2)CC	2635
+C1CCCC1n2ncc(c2N)C(N)=O	3832
+C1CCCC1n2c3nc(nc(c3nn2)O)CCl	6571
+C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3	147
+C1CCCC1n2c(C=O)cc3c2nc(Cl)nc3	1921
+C1CCCC1n2nc(-c3cc(CC#N)ccc3)c4c2ccnc4O	104
+CC(C)(C)OC(Nc1c(OC)cc(cc1)-c2c3c(ncnc3Cl)n(c2)C4CCCC4)=O	1311
+C1CCCC1n2nc(-c3cc(CC(=O)N)ccc3)c4c2ccnc4O	527
+C1CCC(C1)n2ncc3c2nc(nc3O)CC4CCCCC4	6572
+C1CCC(C1)n2c(-c3ccc(cc3N)Br)ccn2	0
+c1cc(ccc1OC)CN(Cc2nc3n(nnc3c(O)n2)C4CCCC4)CCCl	48
+C1CCCC2(CC1)CCC(COc3ccc(cc3)CCC(=O)OC)C2	20
+C1CCCC2(CC1)CCC(COc3ccc(cc3)CCC(=O)O)C2	4
+C1CCCc2c(Cl)n3nccc3nc2C1	3833
+C(Cn1c2c(cc(C(=O)N3C4C(CCCC4)CCC3)cc2)nc1)N=[N+]=[N-]	30
+C1CCCC=C1CCC(OC)=O	27
+C1CCCC=C1CCC(=O)O	1317
+C(COc1cccc(-c2noc3cc(ccc23)F)c1)(CNCCC=4CCCCC=4)O	122
+c1cc(ccc1C(c2ccc(cc2)O)=C3CCCCCC3)C=CC(=O)N	2045
+C1CCCCC(C1)=C(c2ccc(cc2)OC(C)(C)CO)c3ccc(cc3)O	44
+c1ccccc1N2CNC(=O)C23CCN(CC3)C4(CCCCCC4)C#N	735
+C1CCCC(CC1)N2CCC3(CC2)OC(Nc4ccccc34)=O	85
+O=C(OCC)C(=O)C1C(CCCCC1)=O	3834
+C1CCCCCC12OC2	1626
+C1CCCCCC1=C(c2ccc(cc2)O)c3ccc(cc3)Br	904
+C1CC(CCCC1)=C(c2ccccc2)c3ccc(cc3)Br	904
+c1cc(ccc1O)C(c2ccc(cc2)O)=C3CCCCCC3	904
+CC(C)(C)OC(=O)NCc1ncc(OC2CCCCCC2)cc1	3835
+C1CCCCC(C1)Oc2ccc(C#N)nc2	1958
+C1CCCCCCCCCC(C1)C=CCc2ccccc2	1516
+c1cc(ccc1C2(C3(CCCCC3)O2)OC)SC	2636
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+C1CCCCC1N2CCN(CC2)C(C=C(C)N)=O	6590
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+C1CCCCC1NC(C2(C(=O)NCCC2)COc3cccc(N)c3C#N)=O	623
+c1ccccc1CN2c3ccc(Cl)cc3C(=C(C2=O)C#N)Cl	2050
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+C1CCCCC1Nc2c3cnn(CC)c3ncc2C(O)=O	6
+C1CC(CCC1)Nc2cncc(-n3c(C)cc(C)n3)n2	6591
+C1CC(CCC1)N(c2ccc(cn2)[N+]([O-])=O)C	1347
+C1CCCCC1Oc2ccc3c(ccc(CN4CCC(CC4)C(=O)OCC)n3)c2	419
+C1CC(CCC1)Oc2nc(CN3CCN(CC3)S(=O)(=O)c4ccc(cc4)OC)nc5ccccc25	6592
+CC(C)(C)OC(=O)N1CC(COc2c(OC3CCCCC3)cccc2)CCC1	419
+C1CCCCC1OC(C2CCC3C2(C)CC(NCCC(C)C)C4C5(CC(O)C(O)CC5CCC34)C)=O	2630
+C[Si](C)(C)CCOCn1cc(c2nc(cnc12)OC3CCCCC3)C(=O)NC(C(C)(C)C)C(N4CCC(CC4)C#N)=O	6593
+C1CC(CCC1)Oc2cccc(N)c2C#N	57
+C1CCCCC1Oc2cc(ccc2C=CC(=O)OCC)OCCOC	419
+O=S(=O)(C)Nc1c(OC2CCCCC2)ccc([N+]([O-])=O)c1	57
+C1CCCCC1Oc2c([N+](=O)[O-])cccc2	57
+C1CC(CCC1)OCc2cc(c(cc2Cl)Br)F	2638
+C1CCCCC1Oc2ccc(nc2)Cl	1346
+C1CC(CCC1)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	1117
+C1CCCCC1Oc2ccc(Br)cn2	91
+C1CCCCC1OCCSc2nn3c(cc(nc3n2)C)C	2425
+C1CC(CCC1)ON=C(C(=O)CCl)C(OCC)=O	969
+C1CC(CCC1)Oc2ccccc2N	0
+C1CC(CCC1)Oc2c(CCC(=O)OCC)ccc(c2)OCCOC	159
+C1CCCCC1Oc2ncc(cc2)-c3c(N)ncc(F)c3	1168
+C1CCCCC1Oc2ccc(B(O)O)cn2	2639
+C1CCCCC1Oc2ccc(CN)nc2	421
+FC(F)(F)C(N1CCc2ccc(c(NCc3ncc(cc3)OC4CCCCC4)c2CC1)Cl)=O	1627
+C1CCCCC1Oc2ccc(cc2)-c3cc(nnc3CCCC)Cl	218
+C1CCCCC1Oc2ccc(cc2)-c3c(CCCC)nnc(OCC4C(CCN(C4)C)O)c3	113
+CC(C)(C)OC(=O)N1CCC(OCOC)C(C1)COc2nnc(CCCC)c(-c3ccc(cc3)OC4CCCCC4)c2	485
+C1CCCCC1Oc2ccc(C#N)nc2	1958
+C1CCCCC1Oc2ccc3c(ccc(CN4CCC(CC4)C(=O)O)n3)c2	3
+C1CCCCC1S(=O)(=O)NCCc2cc(cc(CCC(OCC)=O)c2)Cc3cccnc3	111
+O=S(=O)(c1c(C=O)cccc1)C2CCCCC2	720
+C1CC(CCC1)c2nc(C)cn2-c3c([N+]([O-])=O)ccc(F)c3	431
+C1CC(CCC1)c2n(CC)c3ccc(cc3c2)[N+]([O-])=O	557
+CC1(C)C(C)(C)OB(O1)c2cnc3[nH]c(cc3c2)C4CCCCC4	234
+C1CC(CCC1)c2c3ccc(cc3n(CCC(=O)OC)c2Br)C(=O)OC	167
+C1CC(CCC1)c2c(N=C=O)cccc2	6594
+C1CC(CCC1)c2c(-c3c(C)cnc(Nc4cc(ccc4)NCCN(CC)CC)n3)sc(SC)c2C#N	601
+C1CCCCC1c2c(c(sc2-c3c(cnc(n3)Nc4cc(ccc4)N)C)SC)C#N	0
+CC(C)(C)[Si](C)(C)Oc1c(cc(Br)cc1)C2CCCCC2	154
+c1cc(ccc1NCC(COc2c(C3CCCCC3)cccc2)O)N4C(NCC4)=O	843
+C1CN(CCO1)C(Cn2c(Br)c(c3c2cc(cc3)C(OC)=O)C4CCCCC4)=O	10
+C1CC(CCC1)c2c3ccc(C(OC)=O)cc3[nH]c2-c4ccccc4CCOC5CCCCO5	2549
+C1CCCCC1c2cc(c(cc2)C(CCC(O)=O)O)OC	74
+C1CCCCC1c2cc(OC)c(CCO)cc2Cl	95
+C1CC(CCC1)c2cc(c(cc2)CCCC(=O)O)OC	414
+c1cc(ccc1)C(C)(c2c(ccc(C3CCCCC3)c2)O)O	3847
+C1CCCCC1c2ccc3nc(c(n3c2)-c4nc(c(s4)C(O)=O)-c5ccccc5)C	6
+C1CCCCC1c2ccc3nc(C)c(-c4nc(-c5ccccc5)c(s4)C(N)=O)n3c2	1169
+C1CCCCC1c2nc(C)cn2-c3cc(-n4c(C5CCCCC5)nc(C)c4)c(cc3)N	0
+C1CC(CCC1)c2sc(c(C)n2)C(O)=O	6
+C1CCCCC1c2nc(cn2-c3ccc4nnc5c(nc(n5c4c3)C6CCCCC6)C)C	2051
+C1CCCCC1c2oc(c(C(O)=O)n2)C	1
+C1CC(CCC1)c2sc(N=C=O)nn2	6595
+C1CC(CCC1)c2sc(nn2)N3C(=O)N(C)NC3	2640
+C1CCCCC1n2c(CCCOc3ccc4c(ccc(O)n4)c3)nnn2	72
+C1CCCCC1n2ncc(c2-c3ccc(cc3)F)-c4scc(CC(O)=O)n4	3
+C1CCCCCCCCCC(CCCC1)=C	6596
+C1CC(CCCC1)(Cn2c(C#N)ccc2C)O	6597
+CC(C)(C)OC(C=Cc1ccc(cc1)C(c2ccc(cc2)O)=C3CCCCCC3)=O	233
+c1cc(ccc1C(c2ccc(cc2)-c3cocc3)=C4CCCCCC4)O	1628
+C1CC(CCCC1)CO	647
+c1ccccc1COc2c(cc(cc2)Nc3nc(Cl)nc(n3)NC4CCCCCC4)Cl	387
+C1CCCCCC=2C(=O)N3C(C=C(C(=O)Nc4sc(C)cn4)C=C3)=NC1=2	6598
+C1CCCCCC=2C(=O)N3C(C=C(C(O)=O)C=C3)=NC1=2	127
+C1CCC(CCCC1)=NO	350
+C1CCCCCCC1NC(=O)N2CCN(CC2)c3ccnc4cc(Cl)ccc34	2041
+C1CCCCCCCCCCC1C(C)COCC	3848
+c1ccccc1CCCC2CCCCCCCCCCC2	460
+C1CCC(CCCCCCCCCCC1)CO	3559
+C1CCCN(CC1)CCC2CCCc3n(ncc23)-c4ccccc4	15
+O=S(=O)(C)OCCCCc1ccc(cc1)OCCCN2CCCCCC2	7
+C1CCCCCN1CCN2CCC(CC2)NC(c3[nH]c4cccc(OCc5cocc5)c4c3)=O	81
+C1CCCCN1C(CN2C=3N(C=C2)C(C(OCc4ccccc4)=C(N=3)C(=O)O)=O)=O	127
+c1cc(ccc1-c2occ(CCN3CCCCC3)n2)OCCN4CCCC4C	15
+C1CCCCN1CC2CCCCC2	15
+C1CCCCN1C(C2CCc3c2nc(s3)-c4ccc(cc4)OCCCN5CCCC5C)=O	53
+C1CCCCN1C(CN2C=CN3C(=O)C(=C(c4ncc(o4)Cc5ccc(cc5)F)N=C23)O)=O	3849
+c1cc(ccc1CC(CNC(C2=C(OCc3ccccc3)C(N4C=CN(CC(=O)N5CCCCC5)C4=N2)=O)=O)=O)F	6599
+C1CCCCN1C(=O)CN2C=3N(C(=O)C(OCc4ccccc4)=C(N=3)C(=O)OC)C=C2	3850
+C1CCCCN1C2Cc3cc(ccc3C2)O	5
+C1CCCCN1C2Cc3cc(Oc4ncc(cc4)C(=O)NC)ccc3C2	136
+c1cc(ccc1OC(C)(C)CN2CCCCC2)[N+]([O-])=O	57
+c1cc(ccc1OCCCN2CCCC2C)N3C(CCC3=O)CN4CCCCC4	883
+C1CCCCN1CCC=O	378
+C1CN(CCC1)CCC(=O)N2c3cc[nH]c3CCCC2	2052
+c1ccccc1CN(CCC(C#N)(c2c(cccc2)Cl)CCN3CCCCC3)C(C)C	3851
+C1CCCCN1CCC(N)C#N	2519
+C1CCCCN1CCCCCn2c3c(nc2OC)c(nc(n3)OC(C)CC)N	3852
+C1CN(CCC1)CCCOc2c(cc(Br)cc2)F	72
+c1cc(ccc1Cl)CNC(=O)C2=CN(CCCN3CCCCC3)c4c(cc(C#CCO)cc4)C2=O	6600
+C1CN(CCC1)CCCOc2ccc(cc2)I	72
+c1cc(ccc1OC)Nc2nc3c(cc(C(OCC)=O)nc3)n2CCCN4CCCCC4	3581
+C1CN(CCC1)CCCN2C=CC(=CC2=O)c3cc4nccn4nc3	6601
+C1CCCCN1CCCNC(=S)NNC(c2c(OCC)cc(cc2)[N+]([O-])=O)=O	3853
+C1CN(CCC1)CCCNC(NNC(c2ccc(cc2)NC(=O)c3c(cccc3)F)=O)=S	3853
+C1CCCCN1CCCNc2nnc(-c3c(cc([N+](=O)[O-])cc3)OCC)o2	6602
+c1cnccc1NC(c2cc(Nc3cc(C(NCCCN4CCCCC4)=O)ccc3)ccc2)=O	230
+C1CN(CCC1)CCCNc2c(ccc(n2)NCCCC)[N+](=O)[O-]	70
+c1cc(ccc1OC)Nc2nc3ccc(nc3n2CCCN4CCCCC4)Br	6603
+C1CCCCN1CCCNc2c(ccc(Br)n2)N	13
+C1CN(CCC1)CCCOc2ccc3nc(C(=O)OCC)ccc3c2	126
+C1CCCCN1CCCOc2cc(C#Cc3ccc(cc3)Cl)cc(Sc4ccc(OCC(OCC)=O)c(Cl)c4)c2	126
+C1CCCCN1CCCOc2cc(C#Cc3ccc(cc3)Cl)cc(Sc4cc(Cl)c(OCC(=O)O)cc4)c2	3
+C1CN(CCC1)CCNC(=O)c2ccc(cc2NCC)Cl	14
+FC(F)(F)c1cccc(Oc2cc(ccc2)CNCCN3CCCCC3)c1	42
+C1CN(CCC1)CCNC(c2ccc(Cl)nc2NCC)=O	56
+c1ccccc1-c2ccc(cc2)C(=O)Nc3ccsc3C(NCCN4CCCCC4)=O	227
+C1CN(CCN1c2c(cc(cc2F)OCCN3CCCCC3)F)C(C)=O	20
+C1CCCCN1CCOc2cc(N)c([N+](=O)[O-])cc2F	57
+c1cc(ccc1C)S(=O)(=O)NCCc2c(OCCN3CCCCC3)cccc2	20
+C1CN(CCC1)CCOc2ccccc2CCNS(=O)(=O)c3ccc(cc3)Oc4ccc(cc4)F	126
+C1CN(CCC1)CCOCC(=O)CC(=O)OCCCc2ccccc2	3303
+C1CN(CCC1)CCOc2ccc(cc2F)C(Nc3cc(ccc3-c4nc5ccccc5s4)OC)=O	6604
+C1CCCCN1CCOc2c3ccc(nc3c(cc2)Cl)Cl	532
+C1CCCCN1CCOc2cc(N)c(N)cc2F	0
+c1cc(ccc1)C=CC(=O)Nc2cc(OCCN3CCCCC3)ccc2Cl	324
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)CN6CC(F)(F)CC6	48
+C1CCCCN1N2C(=O)c3c(CC2)n(c(c3C)-c4ccc(cc4)C=CCCC)-c5ccc(Cl)cc5Cl	2053
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)CCCCC	374
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)C=O	1072
+FC(F)(F)CCCS(=O)(=O)Oc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C	444
+O=S(=O)(CC)Oc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C	444
+c1cc(ccc1OS(=O)(=O)c2cnccc2)-n3c(c(nc3-c4c(Cl)cc(cc4)Cl)C(NN5CCCCC5)=O)C	3854
+CC(C)(C)OC(COCc1c(Cl)ccc(c1)S(=O)(=O)N2CCCCC2)=O	337
+C1CN(CCC1)S(=O)(=O)c2ccc(c(COCC(=O)N3CCCC3)c2)Cl	10
+C1CN(CCC1)c2cc(-n3ccnc3)ccc2NC(c4oc(C#N)cc4)=O	1129
+FC(F)(F)c1cccc(c1)COc2ncnc(-c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c2	145
+FC(F)(F)c1cc(ccc1)Nc2cc(ncn2)-c3cc(N4CCCCC4)ccc3[N+](=O)[O-]	73
+FC(F)(F)c1cccc(Oc2cc(ncn2)-c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c1	185
+FC(F)(F)c1cccc(c1)CNc2ncnc(c2)-c3cc(N4CCCCC4)ccc3[N+](=O)[O-]	40
+C1CCCCN1c2c(N)ccc(c2)-n3ccnc3	0
+CC1(C)OB(OC1(C)C)c2cc(N3CCCCC3)ccc2[N+]([O-])=O	17
+C1CN(CCC1)c2ccc(c(C(Nc3ncc(-c4ccc(c(C)c4)C)nc3)=O)c2)N	0
+C1CN(CCC1)c2cc(NC)ccc2[N+](=O)[O-]	60
+C1CCCCN1c2cc(nc(N3CCCC3C)n2)N4CCN(c5c(C)cc(cn5)CO)CC4C	351
+C1CCCCN1c2nc(nc(C(O)=O)c2)-c3ccc(cc3)-c4ccccc4	1
+C1CCCCN1c2cc3c(nc(c(C(=O)N4CCCCC4)c3-c5ccc(cc5)F)C)cc2	211
+c1cc(ccc1F)-c2c3c(ccc(c3)N4CCCCC4)nc(C)c2C(=O)OC	1170
+C1CCCCN1c2ccc(cc2)C3(OC)OC3(C)C	2636
+CC(C)(C)n1nc(cc1-c2ccc(cc2)N3CCCCC3)C(OCC)=O	2054
+c1cc(ccc1C(C(C)(C)N2CCOCC2)=O)N3CCCCC3	1860
+C1CCCCN1c2ccc3c(c2)c(c(c(C)n3)C(Oc4ccccn4)C)-c5ccc(cc5)F	2055
+c1cc(ccc1OCc2c(nc3ccc(cc3c2-c4ccc(cc4)F)N5CCCCC5)C)Cl	20
+C1CN(CCC1)c2nc(cs2)C=O	1348
+C1CN(CCC1)c2nc(-c3ccc(cc3C)C)c(C(CCC)C(=O)OC)c(C)n2	198
+C1CN(CCC1)c2nc(c(c(-c3ccc(cc3)C)n2)C(CCC)C(OC)=O)Cl	198
+C1CCCCN1c2nc(-c3ccc(cc3)C)c(c(CC)n2)C(C(O)=O)CCC	4
+C1CCCCN1c2nc(c(c(n2)CC)C(C(OC)=O)CCC)O	27
+C1CCCCN1c2nc(c(C(CCC)C(=O)OC)c(n2)CC)-c3ccc(cc3)C	198
+C1CCCCN1c2nc(Cl)c(c(C)n2)C(CCC)C(OC)=O	64
+C1CCCCN1c2nc(c(c(Cl)n2)C(C(=O)OC)CCC)CC	64
+C1CCCCN1c2nc(CO)cs2	1171
+C1CCCCN1c2c(c(ncn2)CO)C	88
+C1CCCCCN1C(OC)=N	2641
+C1CCCN(CC1)C(c2csc(c2)C=3CCN(CC=3)C(C)=O)=O	2046
+C1CC(CCN1C(CN2CCCC2)=O)COc3cc4c(c(ncn4)Oc5cc6c(c[nH]c6cc5)C)cc3OC	224
+C1CCCN1CC(=O)N2c3c(SCC2)ccc([N+]([O-])=O)c3	224
+C1COC2(O1)CC(C(N3CCCC3)=O)NCC2	2642
+C1CCCN1CCCN2CCSc3cc([N+](=O)[O-])ccc23	53
+C1CCCN1C2CCc3ccc(cc3CC2)[N+]([O-])=O	85
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)C1)CC#CCN2CCCC2	1469
+c1cc(ccc1)OC(Nc2cc3n(cc(c3cc2)CN4CCCC4)Cc5c(cccc5Cl)Cl)=O	1015
+C1CCN(C1)CC(C(=O)c2cc(no2)-c3ccc(cc3)OC)C	6605
+C1CCCN1C(=O)C(C)(C)CCl	58
+CC(C)(C(N1CCCC1)=O)Sc2cc3sc(N)nc3cc2	10
+CC(C)(C)OC(N1CC(CC(C(=O)N2CCCC2)C1)N(C(c3n(c4c(cccc4)n3)CCCCOC)=O)CC(C)C)=O	10
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(Oc3ccc(N4CCCC4)cn3)ccc2	244
+CC(C)(C)OC(N1CCCC(C(=O)N2CCCC2)C1)=O	10
+CC(C)(C)OC(=O)Nc1nc(CN2CCCC2)ccc1	2019
+CC(C)(C)OC(N1CCN(CC1)C(C)(C)C(=O)N2CCCC2)=O	1857
+CC(C)(C)OC(N1Cc2cc(sc2CC1)CN3CCCC3)=O	6606
+CC(C)(C)OC(N1Cc2c(N3CCCC3)cnn2CC1)=O	6607
+CC(C)(C)OC(=O)NC(C(O)C)C(N1CCCC1)=O	10
+CC(C)(C)OC(Nc1cc(c(cc1[N+]([O-])=O)Cl)N2CCCC2)=O	202
+CC(C)(C)ON=C1C=C(Oc2ccc(OCCN3CCCC3)cc12)c4ncn5c(c4)ccc5	53
+CC(C)(C)[Si](C)(C)Oc1cccc(CN2CCCC2)c1F	48
+C1CCN(C1)C(C)(C)C#N	735
+CC1(C)CCCC(C)(C)N1c2nc(cc(Cl)n2)N3CCCC3	54
+CC1(C)OB(OC1(C)C)c2ccc(c(C#N)c2)N3CCCC3	34
+C1CCN(C1)CC(OCC)=O	303
+CN(C)c1ccnc(c1)CN(C)Cc2nc(cc(c2)O)-c3cc(ccn3)N4CCCC4	264
+C1CCN(C1)C(CC2C(=O)c3c(cc(OC)cc3)C2)=O	10
+C1CCN(C1)c2nc(OC)cc(n2)C(=O)OC	117
+C1CCCN1Cc2sc(cc2)-c3ccc4c(c3)-c5c(c(n(n5)C6CCCCO6)C)C(=O)N4CC	509
+c12c(cccc1)C(=O)N(C2=O)CCCCSc3cc(cc([N+](=O)[O-])c3)NC(N4CCCC4)=O	6608
+C1CCCN1c2cc(N)c(cc2)[N+]([O-])=O	202
+Clc1cc(cc(Cl)c1C(C(N2CCCC2)=O)c3ccc(cc3)Cl)N4N=CC(NC4=O)=O	58
+C1CCCN1c2cc(ncc2)-c3cc(cc(CN(C)Cc4ncccc4)n3)O	264
+C1CCCN1CC(CCCCC)=Cc2c(Cl)cc(Cl)cc2	3855
+C1CCCN1c2ccc(Cl)cc2C=O	34
+C1CCN(C1)c2nc3c(s2)C=Cc4cc(Cl)ccc4C3C5=CN(C(=O)NC5=O)C	2643
+C1CCCN1c2cc(nc(n2)Cl)Cl	54
+C1CCN(C1)c2cc(Cl)nnc2Cl	3760
+FC(F)(F)c1c(ccc(NC(=O)c2ccc(C)c(Br)c2)c1)CN3CCCC3	48
+FC(F)(F)c1cc(cc(c1)NC(CN2CCCC2)=O)C(Nc3cccc(c3)-c4n5c(cc(n5)-c6ccncc6)ncc4)=O	224
+FC(F)(F)c1ccc(c(CN(CC)C(CN2CCCC2)=O)c1)-c3cc(ccc3OC)CC(OCC)=O	224
+FC(F)(F)c1nc(c(C=CC(=O)NCc2cc(F)c(cc2)NS(=O)(=O)C)cc1)N3CCCC3	43
+FC(F)(F)c1nc(C(=O)N2CCCC2)c3CNCCn13	777
+FC(F)(F)c1nn(-c2ccc(cc2)CC(=O)N3CCCC3)c4c1CCCC4	10
+C1CCCN1C2(CCC3(CC2)OCCO3)C#N	735
+C1CCN(C1)CC(N2c3c(Sc4c2cc(cc4)C#N)cc(Cl)cc3)C	123
+C1CCCN1CCC#Cc2ccc(cc2)-c3cn4c(cc(C)cc4)n3	6609
+C1CCN(C1)CC2OCc3c(F)cc(S(=O)(=O)C)cc3O2	28
+O=S(=O)(CCCN1CCCC1)N2CCC(CC2)c3[nH]nc4c(cc(Br)cc34)C(=O)N	53
+C1CCN(C1)CC2CCN(CC2)C(CC3C(=O)NC=CN3S(=O)(=O)c4cc(C)c(Cl)cc4C)=O	123
+C1CCN(C1)c2c(c3c(cc(nc3s2)C)NS(=O)(=O)c4cc(ccc4)Cl)-c5cccc(OC)c5	1801
+C1CCN(C1)C2CCN(c3ccc(Br)cn3)C2	1499
+C1CCCN1c2ccc(S(=O)(=O)C)cc2C(=O)O	202
+C1CCCN1S(=O)(=O)c2cc(cc(Br)c2F)C(O)=O	92
+O=S1(=O)Nc2c3ncccc3c(N4CCCC4)cc2-c5ccccc15	1578
+C1CCN(C1)C(C(C)O)=O	2642
+C1CCN(C1)C(=O)c2ccc3c(c2)Oc4c(cccc4)C3=O	115
+C1CCCN1Cc2cc3ccn(CC#C)c3cc2	48
+C1CCCN1c2c(cnc(Cl)n2)I	54
+C1CCN(C1)c2c(c(C(C)=O)cc(c2C#N)Cl)OCC	560
+C1CCCN1C(=O)c2ccc3c(CCC3)c2OC	30
+C1CCCN1C(c2c3c(n(C)c2)cc([N+](=O)[O-])cc3)=O	211
+C1CCCN1C(=O)Nc2cccc([N+]([O-])=O)c2	326
+C1CCCN1c2nc(Cl)cc(C)c2[N+]([O-])=O	43
+C1CCCN1CC(c2cc(Br)ccc2)=O	676
+C1CCCN1Cc2cc(ccn2)C(OC)=O	1309
+c12c(cccc1)C3(c4c(cccc4)C2C3)CN5CCC(CC5)(O)c6cccnc6N7CCCC7	361
+C1c2ccccc2CC1N3CCCC3	85
+C1CCN(C1)Cc2nc(O)c3c(cc(Br)s3)n2	894
+C1CCCN1CCN2CCc3cc(Br)ccc3C2=O	61
+Cc1cc(cc(C)c1OCCCN2CCCC2)-c3nc(O)c4c(OC)cc(OC)cc4n3	28
+Clc1cc(cc(Cl)n1)N2CCCC2	264
+C1CCN(C1)Cc2cc(-c3nn4c(c(Nc5nc(N6C(CCC6)C)ccc5)c3)ncc4)ccc2	48
+C1CCN(C1)Cc2ccc3cc(ccc3n2)Br	596
+C1CCCN1CC(COc2cc3nccc(Oc4cc(c(cc4)NC(=O)Nc5sccn5)F)c3cc2C#N)O	170
+C1CCCN1c2nc(c3ccc(cc3n2)OC)O	549
+C1CCN(C1)CCCOc2c(cc(Br)cc2)F	53
+C1CCCN1c2nc(ccc2[N+]([O-])=O)Cl	43
+C1CCCN1C(Nc2cc(ncn2)Oc3ccc(cc3F)[N+]([O-])=O)=O	3856
+c1cc(ccc1)CCC2=CC(N(CCc3ccc(cc3)CN4CCCC4)C=C2)=O	131
+c1cc(ccc1)COc2c(C)c(c(nc2C)N3CCCC3)C	323
+C1CCN(C1)c2c(Cc3ccccc3)c(Cl)nc(n2)SC	54
+c1cc(ccc1)N2N=C(CC(=O)N3CCCC3)c4c(n(c5ccccc45)C)C2=O	10
+c1cc(ccc1)N2N(C(=C(C(OC)=O)C2=O)CN3CCCC3)C	2644
+C1CCN(C1)c2ccc(cc2)-c3c(ncn3-c4ccc(cc4)S(=O)(=O)C)Cl	34
+c1cc(ccc1N2CCCC2)-c3ccccc3	79
+C1CCCN1CC(Nc2ccc(cc2)Br)=O	224
+C1CCCN1C(=O)COc2ccc(cc2)Br	10
+C1CCN(C1)C(c2ccc(cc2)C3(SC(=NC(c4ccc(cc4)F)C)NC3=O)C)=O	115
+C1CCCN1c2ccc(cc2)C(=O)Cc3c(ccc(-c4sccc4)c3)OC	34
+C1CCN(C1)C(=O)c2ccc(cc2)I	30
+C1CCN(C1)Cc2ccc(cc2)C3(CC3)C#N	48
+C1CCCN1CCOc2ccc(cc2)CC3=C(C(Oc4c(c(ccc34)O)I)=O)c5c(Cl)cc(Cl)cc5	28
+C1CCN(C1)CCc2ccc(cc2)Br	236
+c1cc(ccc1COc2c(cc3N(C=C(C(=O)c3c2Cl)CN4CCCC4)CC)OCc5ccc(cc5)OC)OC	6610
+c1cc(ccc1[N+]([O-])=O)Cc2nc(C)c(CC(OC)=O)c(n2)N3CCCC3	54
+c1cc(ccc1Cl)Cn2c3ccccc3nc2CN4CCCC4	894
+C1CCN(C1)Cc2ccc(cc2)NC(=O)c3ccc(Cc4cc(cc5c4oc(C(C)C)c5)Cl)o3	48
+c1cc(ccc1Nc2ncnc(c2N)N3CCCC3)Cl	54
+C1CCN(C1)C(=O)c2ccc(cc2)Nc3nc(-c4cn[nH]c4-c5cc(ccc5)OCc6ccccc6)ccn3	30
+C1CCCN1C(=O)Cc2nc(oc2)-c3ccc(cc3)OCCCCl	10
+C1CCN(C1)CCCOc2ccc(cc2)Cc3c(NCCCCC)nc(N)nc3C	53
+c1cc(ccc1OCc2ccccn2)-c3nc(CCN4CCCC4)c(C)o3	123
+O=S(=O)(c1cc(nc(c1)N2CCCC2)Br)c3ccc(cc3)N	323
+C1CCCN1Cc2ccc(Br)cn2	315
+C1CCCN1c2ncc(cc2)Br	43
+C1CCN(C1)C2C(Cc3cc(c(cc3)Cl)Cl)c4cc(OC)ccc4CC2	85
+C1CCN(C1)c2nc3n(c(C)c(c3cn2)C(=O)NCc4c(cc(nc4O)C)C)C(C)c5ccccc5	117
+C1CCCN1CCCCc2c3c(n(c2C)COCc4ccccc4)c(nc(n3)CCCC)N	61
+c1ccccc1CON2C(=O)N(c3c(F)cc(cc3)F)c4c(cc(c(c4)N5CCCC5)F)C2=O	34
+C1CCN(C1)c2c(cc3c(N(C(N(OCc4ccccc4)C3=O)=O)CCF)c2)F	34
+c1ccccc1CON2C(=O)N(c3ccc(cc3F)F)c4c(cc(F)c(n4)N5CCCC5)C2=O	43
+C1CCN(C1)c2c3cc(c(cc3nc(c2)C)OCc4ccccc4)Br	264
+c1ccccc1COc2ccc3c(nc(C)cc3N4CCCC4)c2	264
+C1CCN(C1)CC=Cc2cc3c(c(Nc4cc(c(Sc5n(C)ccn5)cc4)Cl)c(cn3)C#N)cc2	3857
+C1CCN(C1)c2nn3c(cc(Br)cc3)n2	3858
+C1CCN(C1)c2c(c(nc(Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)n2)Cl)CC(OC)=O	54
+C1CCN(C1)c2ccc(cc2-c3nc(O)c4nccnc4n3)Br	34
+C1CCN(C1)c2nncc(c2)O	212
+C1CCCN1C(=O)C(C(O)C)NC(CN2CC3(CCCN3)C2=O)=O	679
+C1CCN(C1)CC(C)(C)CCl	15
+C1CCCN1C(=O)C(C(O)C)NC(CN2C(=O)C3(C2)CCCN3C(OCc4ccccc4)=O)=O	207
+c1cc(ccc1-c2cnc(nc2)N)OCC(N3CCCC3)=O	1629
+C1CCCN1C(=O)Cc2ccc(c(OC)c2)N	0
+C1CCN(C1)CCc2cc(c(cc2)N)OC	15
+C1CCCN1C(=O)Cc2nc(oc2)-c3ccc(cc3)OCCCN4CCCC4C	53
+C1CCN(C1)CCc2coc(-c3ccc(cc3)OCCCN4CCCC4C)n2	15
+C1CCCN1C(=O)Nc2ccc(cn2)N	13
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnc(cc2)NC(N3CCCC3)=O)F)CCC	660
+C1CCCN1C(Nc2cc(N)ccc2)=O	0
+C1CCN(C1)C(c2cscc2)C(=O)Nc3cc4c([nH]nc4I)cc3	33
+C1CCCN1C(C2CCCN(c3ccc4[nH]c(C5(CC5)c6cccnc6)nc4n3)C2)=O	3859
+C1CCCN1C(C2CCCN(c3ccc4c(n3)[nH]c(C(C)(C)n5ncc(Cl)c5)n4)C2)=O	3725
+FC(F)(F)c1nc(ccc1)-c2nc3ccc(N4CC(CCC4)C(N5CCCC5)=O)nc3[nH]2	3584
+C1CCCN1C(C2CN(c3ccc([N+](=O)[O-])c(n3)N)CCC2)=O	43
+C1CCCN1C(C2CCCN(C2)c3ccc(c(n3)N)N)=O	13
+C1CCCN1CCC2C(c3c(cc(cc3)OC)C2)O	15
+C1CCCN1CCc2cc(N)n(CC)n2	15
+C1CCN(C1)c2ccc(cc2C#N)-c3ccnc(n3)Nc4cc(NC(=O)N5CCCC5)ccc4	55
+c1ccccc1N2N(C(=C(C(=O)Nc3ccc(Oc4ncnc(NC(=O)N5CCCC5)c4)c(F)c3)C2=O)C)CC(C)(C)O	1349
+C1CCCN1C(Nc2cc(ncn2)Oc3c(cc(N)cc3)F)=O	0
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)-n3cc(C(N4CCCC4)=O)cn3	568
+C1CC2(OCCO2)CCC1(Cc3ccccc3)N4CCCC4	6611
+CC(C)(C)OC(=O)NCCOc1ccc2c(c1)C(C(N3CCCC3)CC2)Cc4cc(c(cc4)Cl)Cl	8
+C1CCCN1C2CCc3cc(N)ccc3CC2	0
+C1CCCN1C2Cc3c(ccc(Oc4ncc(nc4)C(=O)O)c3)C2	1
+C1CCCN1C2Cc3c(ccc(c3)Oc4cnc(cn4)C(NC)=O)C2	312
+C1CCCN1C2Cc3c(ccc(Oc4ncc(C(OC)=O)nc4)c3)C2	842
+C1CCCN1CCN2CCSc3c2cc([N+](=O)[O-])cc3	15
+c1cc(ccc1Br)NCCN2CCCC2	15
+C1CCCN1CC(OC(=O)C)COc2cc3ncnc(O)c3cc2OC	152
+C1CCCN1CC(OC(=O)C)COc2cc3ncnc(Cl)c3cc2OC	569
+C1CCN(C1)CC(NC)c2cccc(Br)c2	1607
+C1CCCN1CCC2C(=O)c3ccc(OC)cc3C2	155
+C1CCCN1CCCN2c3c(SCC2)cc(cc3)N	0
+C1CCCN1CCCN2CCSc3c2ccc(c3)NC(=N)c4sccc4	1139
+C1CCN(C1)CCCOc2ccc(Br)cn2	430
+C1CCCN1CCN2C(c3c(C)c([nH]c3CC2)C=C4c5cc(OC)ccc5NC4=O)=O	292
+C1CCCN1CCN2C(c3c(C)c(C=O)[nH]c3CC2)=O	413
+C1CCCN1CCN2C(c3ccc(-c4c(F)cc(cc4)C(OC)=O)cc3CC2)=O	11
+C1CCN(C1)CCN2C(=O)N(C)c3c2ccc(Br)c3	620
+C1CCN(C1)CCN(C)CCSC2CCC3(C)C(CCC4C5(CCC(c6ccoc6)C5(CCC34)C)O)C2	236
+O=S(=O)(c1ccc2NC(=O)C(c2c1)=Cc3c(C)c(C(=O)NCCN4CCCC4)c(C)[nH]3)Nc5cnccc5	292
+c1ccccc1-c2cc3C(=Cc4c(C)c(C(=O)NCCN5CCCC5)c(C)[nH]4)C(=O)Nc3cc2	292
+C1CCCN1CCN2CCc3c(C2=O)c(C)c[nH]3	1858
+C1CCCN1CCNc2ccc(cc2N)Br	0
+CC1(C)C(C)(C)OB(O1)c2cc(cc(c2)F)NCCN3CCCC3	17
+C1CCCN1CCN2c3ccc(cc3NC2=O)Br	1019
+c1c(C)nc(cc1-c2nc(c3c(OC)cc(cc3n2)OCCN4CCCC4)O)C	724
+C1CCN(C1)CCOc2cc3cc([N+](=O)[O-])cnc3cc2	126
+C1CCN(C1)CCOc2nc(nc(Cl)c2)-c3cnc4n3cc(F)cc4	145
+C1CCCN1CCSc2cccc(c2)Nc3nnc4c(c(cc(c4)-c5c(ccc(OC)c5)Cl)C)n3	490
+C1CCCN1CCSc2cccc(c2)Nc3nnc4c(c(cc(c4)-c5c(Cl)ccc(O)c5)C)n3	5
+C1CCCN1CCc2c3c([nH]c2)ccc(c3)NC(=N)c4sccc4	1139
+C1CCCN1CCc2cc(C=O)[nH]c2	178
+C1CCCN1CCc2c[nH]c(CO)c2	194
+C1CCCN1CCc2c3c([nH]c2)ccc(N)c3	3860
+C1CCN(C1)CCc2cc(n(CC)n2)Nc3cc(Nc4c(cccc4)C(=O)NC)c(Cl)cn3	346
+C1CCCN1CCn2cc(-c3cc4nccc(Oc5ccc(N)cc5F)c4s3)nn2	0
+C1CCN(C1)CC2NCCC(C(=O)OC)C2	3861
+C1CCCN1Cc2cc3ccn(CC#Cc4ncc(Br)cc4)c3cc2	769
+C1CCN(C1)Cc2ccc3c(ccn3CC#Cc4ncc(cc4)-c5ccc(cc5)Cl)c2	2056
+c1cc(ccc1)-c2nc(C(=O)Nc3ccccc3-c4sc5ncc(cc5n4)CN6CCCC6)sc2	6612
+C1CCCN1Cc2cc3c(sc(-c4c(NC(c5c(C)oc(-c6ccccc6)n5)=O)cccc4)n3)nc2	3862
+FC(F)(F)Sc1ccc(cc1)N2C(=O)N(Cc3ccnc(Nc4cnc(CN5CCCC5)cc4)c3)C(C)(C)C2=O	2645
+C1CCCN1Cc2cc3nc(-c4c(cccc4)N)sc3nc2	0
+C1CCCN1Cc2sc(cc2)-c3ccc4c(c3)-c5n[nH]c(c5C(N4CC)=O)C	747
+O=S(=O)(N1CCCC1)Nc2c(c(C(c3c4c(ncc(F)c4I)[nH]c3)=O)c(cc2)F)F	1630
+C1CCCN1c2c(c(nc(n2)Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)C)CC(O)=O	4
+C1CCN(C1)c2cccc3c(cccc23)O	5
+C1CCCN1c2cc(nc3cc(OCC(OCC)=O)ccc23)C	52
+c1cc(ccc1C)S(=O)(=O)OCCOc2ccc3c(nc(C)cc3N4CCCC4)c2	36
+c1ccccc1C(=O)Nc2c([N+](=O)[O-])ccc(N3CCCC3)c2	50
+C1CCCN1c2ccc(N)c(c2)[N+](=O)[O-]	106
+C1CCCN1c2cc(C)nc3cc(OCCO)ccc23	44
+C1CCN(C1)c2cc(SC)c(cc2)C#N	972
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cc(ccc2N3CCCC3)Cl	48
+CC(C)(C)OC(Nc1ccc(N2CCCC2)cc1[N+]([O-])=O)=O	150
+n1c(OC)cc(nc1Oc2c(C(=O)OC)nc(cc2)N3CCCC3)OC	3863
+O=S(=O)(NCC1CC1)c2ccc(N3CCCC3)c(c2)C(O)=O	6613
+C1CCN(C1)c2cc(C=C3NC(NC3=O)=O)c([N+]([O-])=O)cc2	3864
+C1CCCN1c2cc([N+](=O)[O-])c(NC(C)=O)cc2	77
+C[Si](C)(C)C#Cc1nc(N2CCCC2)ccc1	961
+C1CCCN1c2ccccc2CC(N3CC4C(C3)CC(CC4(O)c5ccccc5F)COS(=O)(=O)c6ccc(cc6)C)=O	36
+FC(F)(F)c1nc2n(c1C)nc(C#Cc3nn(C)c(N4CCCC4)n3)cc2	2353
+C1CCCN1c2ccc(O)c(C(=O)OC)n2	321
+C1CCN(C1)c2nc(N3CCc4ncccc4C3)cc(C)c2[N+](=O)[O-]	43
+CCN(CC)c1nc(cc(NCCN)n1)N2CCCC2	40
+C1CCN(C1)c2nc(N3CCCC3)c4c(n(CCO)c5ccccc45)n2	6614
+C1CCCN1c2nc3c(c(Cl)n2)ccc(OC)c3	64
+C1CCCN1c2nc(ccc2[N+]([O-])=O)NCc3ccc4OCOc4c3	70
+C1CCCN1c2nc(ccc2[N+]([O-])=O)NCc3ccc(cc3)F	70
+c1cc(ccc1CNc2ccc(N)c(n2)N3CCCC3)F	13
+CC(C)(C)CC(Nc1c(N2CCCC2)nc(cc1)NCc3ccc4OCOc4c3)=O	3865
+C1CCN(C1)c2ncc(-c3cc(ccc3)NC(Nc4ccc(cc4)Cl)=O)cc2	89
+C1CN(CCO1)C(c2c(n(C)nc2)C(=O)Nc3cc4n(nc(N5CCCC5)n4)cc3)=O	1020
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)O)n2	6
+CC(C)(C)OC(N1CCC(c2cc(cs2)C(N3CCCCCC3)=O)=CC1)=O	3866
+C1CN(CCCC1)Cc2cc(cs2)-c3cc4c(c(c3)C(=O)N)[nH]cc4C5CC(C)(C)S(=O)(=O)CC5	509
+C1CCCN(CC1)C#N	739
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3CCCCCC3	28
+C1CCCCCN1C(=O)CC2CCCc3n(ncc23)-c4ccccc4	10
+c1cc(ccc1)-c2nc(C)c(C(CCC)C(=O)OC)c(n2)N3CCCCCC3	54
+c1cc(ccc1)-n2c3c(cccc3)c(C=O)c2N4CCCCCC4	2646
+c1cc(ccc1)COC(=O)N2CCCCC(N)C2	613
+n1c(N2CCCCNCC2)oc3c1cc(C)cc3C	2647
+FC(F)(F)Oc1ccc(cc1)-c2n(CC3OCCCC3)c(C)c(C(NN4CCCCC4)=O)n2	541
+C1CCCOC1CCO	237
+O=S(=O)(C)OCCC1CCCCO1	7
+C1CCCOC1CCN2c3c(c(nc(n3)NCCCC)N)NC2=O	1604
+c1cc(ccc1-c2n3c(ccn3)nc4CCCCCc24)OCc5ccccc5	2057
+c12ccccc1CCCC=C2C	252
+C(OC(=O)Cn1ncc(-c2cccc3N(C(=O)CCCO)CCCc23)c1)C	320
+FC(F)(F)c1nc(nc(C2=NOC(N2C(N3CCCC3)=O)=O)c1)C(C)C	6615
+FC(F)(F)c1nn(c2CCOCc12)-c3ccc(cc3)C(=O)N4CCCC4	568
+C1CCN(C1)Cc2ccc(cc2)Nc3nc(-c4cn[nH]c4-c5cc(ccc5)OCc6ccccc6)ccn3	162
+CC(C)(C)[Si](C)(C)OC(C(N1CCCC1)=O)C	1952
+CC(C)(C(c1ccccc1)N)N2CCCC2	3867
+C1CCCN1C(CC2C(O)c3c(cc(cc3)OC)C2)=O	74
+c1ccccc1-c2c(c3c(nn(CC(N4CCCC4)=O)c3nn2)I)Cl	3456
+C1COCCC1N(C)c2ccc(cc2)-c3n[nH]c4c3cc(cc4)NC(=O)C(c5cscc5)N6CCCC6	1016
+c1cc(ccc1C(CC2CSCCC2=O)=O)Cl	6616
+C1CCCN1C2CCc3ccc(cc3C2Cc4cc(c(cc4)Cl)Cl)O	5
+C1CCN(C1)C2CCCC3C2N(CCN3Cc4cnc[nH]4)C(Cc5ccc(c(c5)Cl)Cl)=O	879
+C1CCN(C1)C2CCN(c3ccc(cn3)N4C(=O)C=C(OCc5ccc(cn5)Cl)C=C4)C2	3868
+C1CCCN1C2Cc3cc(N)ccc3C2	0
+C1CCN(C1)CC#Cc2cc3-c4nn(C5CCCCO5)c(c4C(=O)N(c3cc2)CC)C	121
+C1CCN(C1)CC#Cc2ccc3c(-c4c(c(C)n[nH]4)C(=O)N3CC)c2	747
+C1CCCN1CCCc2ccc3N(CC)C(=O)c4c(C)[nH]nc4-c3c2	213
+C1CCN(C1)CC(N2c3cc(ccc3Sc4cc(Cl)ccc24)C(N)=S)C	1855
+C1CCN(C1)CC(N(C(=O)CN(C)c2ccc(c(c2)Cl)Cl)C)c3cccc(Br)c3	10
+C1CCN(C1)CC(OCCN(C)C)=O	6617
+C1CCN(C1)CCC(Nc2nc3c(cc(cc3)Sc4n5cccnc5nc4)s2)=O	373
+C1CCN(C1)CCCN2c3nc(ccc3C(N(c4ccccc24)C)=O)C	6618
+c1cc(ccc1OCCCN2CCCC2)-n3c(cc(n3)CC)CC	72
+c1cc(ccc1OCCCN2CCCC2)-c3c4ccccc4nc5CCCCc35	72
+c1cc(ccc1OCCCN2CCCC2)-n3c4ccccc4cc3CCOC	72
+C1CCCN1CCCNC(=O)c2c(c3c(C4c5ccccc5NC4=O)ncnn3c2)C	56
+OB(O)c1ccc(OCCCN2CCCC2)c(F)c1	422
+C1CCN(C1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4c(cc(cc4)[N+]([O-])=O)F	242
+C1CCN(C1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4c(cc(cc4)N)F	0
+C1CCN(C1)CCCOc2cc3c(cc2OC)c(ccn3)Cl	120
+CC1(C)OB(OC1(C)C)c2cnc(cc2)OCCCN3CCCC3	3869
+C1CCN(C1)CCCOc2ccc(c(OCCF)c2)N3C(c4cc(C(=O)OC)ccc4N=C3C)=O	3870
+C1CCN(C1)CCCOc2ccc(c(OCCF)c2)N3C(=O)c4cc(C(OCC)=O)ccc4N=C3C	807
+C1CN(CCN1CC2(CCOCC2)c3ccc(cc3)OCCCN4CCCC4)C	61
+O=S(=O)(C1C(C2(CCOCC2)c3ccc(cc3)OCCCN4CCCC4)OC=N1)c5ccc(cc5)C	6619
+c1cc(ccc1C2(CCOCC2)c3cnco3)OCCCN4CCCC4	6620
+CC(C)(C)OC(N1CCC(CC1)COCCN2CCCC2)=O	649
+C1CCCN1CCn2ncc3c2ccc(N4C=Cc5oc(-c6cccc(Cl)c6)cc5C4=O)c3	2058
+C1CCN(C1)CCOc2c(cc([N+](=O)[O-])cc2)Cl	72
+C1CCCN1CCSc2cccc(Br)c2	1107
+C1CCN(C1)CCOc2ccc(Br)cc2C=O	72
+C1CCCN1CCNc2cc(F)cc(Br)c2	1350
+C1CCN(C1)CCOc2ccc(cc2)I	72
+C1CCN(C1)CCOc2ccc(cc2)[N+]([O-])=O	72
+C1CCN(C1)CCOc2cc(ccc2)C(OC)=O	72
+C1CCCN1CCNc2nccc(Oc3ccc4c(C(NCCN5CCOCC5)=O)cccc4c3)n2	96
+C1CCN(C1)CCNCc2cncc(-c3n(C)c4c(ccc(c4)Cl)c3C#N)c2	249
+C1COC2(O1)CCC(CC2)NCCN3CCCC3	87
+C1CCCN1CCNC(=O)c2c(c(C=C3c4cc(F)ccc4NC3=O)[nH]c2C)C	56
+C1CCCN1CCNCCc2c(C(OCC)=O)c(C)c[nH]2	15
+C1CCN(C1)CCOc2c(CN)cc(cc2)Br	18
+C1CCN(C1)CCOc2ccc(Br)cc2CCl	109
+c1cc(ccc1-c2cc([nH]c2)C(=O)Nc3ccc(OCCN4CCCC4)c(c3)Cl)Cl	187
+C1CCN(C1)CCOc2c(Cl)cc(N)cc2	0
+C1CC(CCN1c2c3c([nH]cc3C)ncn2)NC(=O)c4cc(OCCN5CCCC5)ccc4	14
+C1CCN(C1)CCOc2cc(C(=O)O)ccc2	1
+C1CCN(C1)CCOc2ccc3ncc(N)cc3c2	13
+C1CCN(C1)CCOc2c(CO)cc(Br)cc2	41
+C1CCN(C1)CCOc2c(CN=[N+]=[N-])cc(cc2)Br	1298
+C[Si](C)(C)C#Cc1ccc(cc1)OCCN2CCCC2	311
+c1cc(ccc1OCCN2CCCC2)N	0
+C1CCN(C1)CCOc2nc(OC)c(NS(=O)(=O)c3ccc(cc3)CCCF)cc2	322
+CC(C)(C)OC(N1CCCC(Nc2nc(nc(OCCN3CCCC3)c2)-c4cnc5n4cc(F)cc5)C1)=O	40
+C1CCN(C1)CCc2ccc(N)c(C(O)=O)c2	1
+C1CCN(C1)CCc2cc(c(N)cc2)C(OC)=O	0
+C1CCN(C1)CCc2ccc(N)c(c2)C(=O)N	169
+C1CCN(C1)CCc2ccc3nc(nc(c3c2)O)-c4cc(C)nc(C)c4	748
+C1CN(CCN1c2c(C)cc(N)cc2CN3CCCC3)C	0
+C1CCN(C1)Cc2ccc(cc2)C3(CC3)C(O)=O	459
+C1CCN(C1)CC2Nc3ccc(cc3CC2)Br	2648
+CC(C)(C)OC(n1cc(-c2sc3c(nc(nc3O)CN4CCCC4)c2)c(C)n1)=O	6621
+c1cccn1-c2c(cc(cc2OCC)CN3CCC(CC3)Nc4nc5cccc(S(=O)(=O)N6CCCC6)c5o4)OCC	48
+O=S(=O)(C)c1nc(c(c(N2CCCC2)n1)Cc3ccccc3)Cl	737
+C1CCN(C1)c2c(c(cc(c2OCC)C(O)C)Cl)C#N	74
+C1CCCN1c2c(OCC)c(cc(Cl)c2C#N)C(n3c4ncnc(N)c4c(C)n3)C	2649
+C1CCN(C1)c2c(c(C(C)Cl)cc(Cl)c2C#N)OCC	525
+C1CCN(C1)c2nc(nc(Cl)c2CC(=O)O)Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O	4
+C1CCN(C1)c2cc3N(C(N(C(=O)c3cc2F)O)=O)CCF	2650
+C1CCN(C1)c2cc(nc3cc(O)c(Br)cc23)C	16
+C1CCCN1c2cc3cc4c(NC(N4)=O)nc3cc2	6622
+C1CCN(C1)c2cc(Cl)c(C(Nc3c(C=NC(C)CO)cccc3)=O)cc2	853
+C1CCN(C1)c2ccc(c(c2)Cl)C(=O)Nc3c(cccc3)CNC(CO)C	1172
+C1CCN(C1)c2cc(c(C(=O)N3CC(=O)N(Cc4c3cccc4)CCO)cc2)Cl	21
+C1CCN(C1)c2cc(NN)nnc2Cl	599
+C1CCN(C1)c2cc(nnc2Cl)NN=Cc3ccccc3	878
+C1CCN(C1)c2cc(c(C(N)=S)cc2)SC	6623
+C1CCN(C1)c2cc(c(C(=O)N3c4ccccc4CN(CCN5C(=O)c6c(C5=O)cccc6)C(C3)=O)cc2)Cl	332
+C1CCN(C1)c2cc(c(cc2)C(N3CC(N(CCN)Cc4c3cccc4)=O)=O)Cl	45
+C1CCN(C1)c2cc(c(cc2)C(=O)N3CC(=O)N(CCNC(=O)c4ccccc4)Cc5c3cccc5)Cl	93
+C1CCN(C1)c2c(nc(C(=O)N3CCSCC3)cc2)OCC4CC4	147
+CC(C)(C)OC(N(Cc1ccccc1NC(=O)c2ccc(N3CCCC3)cc2Cl)C(CO)C)=O	23
+CC(C)(C)[Si](C)(C)OCC(C)NCc1ccccc1NC(=O)c2c(cc(cc2)N3CCCC3)Cl	19
+c1cc(ccc1-n2c(-c3ccc(c(c3)Cl)N4CCCC4)c(nc2)Cl)S(=O)(=O)C	196
+C1CCN(C1)c2ccc(Br)cc2-c3nc4nccnc4c(Nc5ccncc5C)n3	3871
+C1CCCN1c2ccccc2CC(N3CC4C(CC(CO)CC4(c5c(cccc5)F)O)C3)=O	10
+C1CN(CCC1=Cc2cc(Oc3ccc(N4CCCC4)cn3)ccc2)C(=O)Nc5nnccc5	437
+C1CCN(C1)c2nc(n(C)n2)C#Cc3cc(OC)c4nc(C)c(n4n3)C	3872
+c1cc(ccc1N)S(=O)(=O)c2cc(CC)nc(c2)N3CCCC3	2651
+O=S(=O)(C)OCCn1c2nc(nc(c2c3ccccc13)N4CCCC4)N5CCCC5	7
+C1CCN(C1)c2nc(N3CCCC3)nc(N4CCN(CC4)CCCOc5c6c(ccc5)[nH]c(c6)C#N)c2	331
+C1CCN(C1)c2nc(N3CCc4ncccc4C3)cc(C)c2NC(=O)Cc5cc(F)cc(c5)F	3865
+FC(F)(F)Oc1c(cc(cc1)C(NC(=O)c2nc(nc(OC)c2)N3CCCC3)COC)F	81
+C1CCN(C1)c2nc(OC)cc(C(O)=O)n2	1
+C1CCCN1c2nc(C#Cc3ccc4n(c(C)c(C)n4)n3)ccc2	2353
+C1CCN(C1)c2nc3c(s2)C=Cc4cc(ccc4C3C5=CN(C)C(=O)NC5=S)Cl	3873
+CC(C)(C)OC(Nc1ccn2nc(nc2c1)N3CCCC3)=O	2652
+c1(cc(ncn1)N2CCOCCC2)NN	1021
+C1CC2N(c3c(cc(cn3)C(=O)OC)NC2=O)CC1	1530
+CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c2c(F)cc(Oc3c(cc(cc3)Cl)-c4cc(CN5CCC5)ncc4)c(F)c2	315
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(Br)cn2CCN3CCC3	123
+CC(C)(C)OC(=O)Nc1cc(ccc1)C(N2CCC2)=O	30
+CC(C)(C)OC(N1CCC(CC1)C(N2CCC2)=O)=O	10
+CC(C)(C)OC(NC(C(N1CCC1)=O)C(C)C)=O	10
+CC1(C)C(C)(C)OB(O1)c2cc(CN3CCC3)sc2	509
+C1CCN1C(=O)NCc2c(nccn2)Cl	6624
+C1CCN1c2c3c(nc(Cl)n2)nc(c(Cl)n3)Cl	1310
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4nc(CC(F)(F)F)cn4CCN5CCC5	123
+FC(F)(F)c1ccc(cc1)-c2c3c(cc(cc3)C#CCCCN4CCC4)sn2	123
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(c(OC)c3)C=4NOC(=O)N=4)c(n2)CCCN5CCC5	123
+C1N(CC1)C(c2ccc(c(c2)F)F)=O	30
+c1(F)cc(cc(F)c1CC(=O)N2CCC2)OCCC3C(C4CCN(CC4)c5ncc(cn5)OCC)C3	10
+C1CCN1c2ncc(cc2Cl)Oc3ccc(cc3C#N)S(=O)(=O)Nc4ncc(cc4)F	361
+C1CCN1CC2CC(C2)n3cc(c4c3ncnc4N)I	236
+C1CCN1C(=O)c2cc3c(s2)c(ccn3)Cl	867
+C1CCN1C(c2cc(c3OC(=CC(=O)c3c2)N4CCOCC4)C5CCCN5c6cc(F)cc(F)c6)=O	1997
+C1N(CC1)CCCCCn2c(nc3c(nc(nc23)OCCCC)N)OC	53
+C1CCN1C(c2c(n(C)nc2)C(=O)Nc3cc4nc(nn4cc3)-c5cccc(c5)OC)=O	1020
+C1CCN1C(c2c3c(C)cccc3c(Cl)nc2)=O	211
+c1c(F)c(c(cc1O)F)CC(=O)N2CCC2	10
+C1N(CC1)c2c3c(ccc([N+]([O-])=O)c3)nc(CCC)c2	264
+C1CN(CCN1C(c2ccccc2)=O)CC(=O)N3CCC3	10
+C1CCN1C(Cc2ccc(cc2)Br)=O	10
+C1N(CC1)C(=O)c2ccc(cc2)C(OC)=O	115
+C1CCN1C(=O)c2ccc(cc2)I	30
+C1CCN1C(=O)Cc2ccc(cc2)OCCC3C(C4CCN(CC4)c5onc(C(C)C)n5)C3	10
+C1CCN1c2ncc(S(=O)(=O)N3CCC=4C(Cc5c(n(nc5)-c6ccc(cc6)F)C=4)(COCC)C3)cc2	43
+c1ccccc1C(c2ccccc2)N3CC(C3)C(=O)N4CCC4	10
+c1ccccc1COc2ccc(CC(N3CCC3)=O)c(c2)C#N	10
+C1CCN1C(Oc2ccccc2)=O	66
+c1(F)cc(cc(F)c1CC(=O)N2CCC2)OCCC3C(C4CCN(CC4)c5ncc(cn5)COC)C3	10
+C1CCN1c2nn(c(n2)C=Cc3nn4c(C)cc(C)nc4n3)C	3520
+c1cc(ccc1CC(=O)N2CCC2)-c3c(cc4c(c(C=O)c[nH]4)c3)Cl	749
+C1CCN1c2n3ccnc(Cl)c3cn2	6625
+C1CCN1C(=O)c2cc(c(Oc3cc(OC(CO)C)cc(C(O)=O)c3)cc2)F	1
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(Oc2ccc(cc2F)C(=O)N3CCC3)cc(C(O)=O)c1)C	19
+C1CCN1C(c2sc3c(Oc4ccc5c(C(NC)=O)c(n(c5c4)CC)C)ccnc3c2)=O	680
+FC(F)(F)c1nn(-c2ccc(cc2)C(N3CCC3)=O)c4CN(CCc14)C	568
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(C(Nc4cnc(cn4)C)=O)cc(OC5COCC5)c3	1351
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(OC4CCOC4)cc(C(O)=O)c3	1
+C1CCN1C(=O)Cc2ccc(cc2)B3OCC(CO3)(C)C	734
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCOc4ccc(CC(N5CCC5)=O)c(C#N)c4)C3	126
+C1N(CC1)C=2SC3C(N=2)C(O)C(C(COC(=O)C)O3)OC(C)=O	59
+C1C(CC1n2c3c(c(c2)-c4ccc5ccc(nc5c4)-c6ccccc6)c(ncn3)N)CN7CCC7	3874
+CC(C)Oc1ncc(OCc2c(cc(C(=O)NS(=O)(=O)N3CCC3)c(c2)F)F)cc1Cl	258
+O=S(=O)(NC(=O)c1cc(c(COc2cc(c(cc2)Cl)Cl)cc1F)Cl)N3CCC3	258
+c1cc(ccc1)CNc2c(Cl)nc3c(nc(Cl)nc3N4CCC4)n2	464
+FC(F)(F)c1c(c(-c2nc(sc2)NC(=O)c3ccc(cc3)Nc4ncnc(N5CCC5)c4)ccc1)F	3875
+C1CCN1c2cc(ncn2)Nc3ccc(cc3)C(=O)OC	128
+C1N(CC1)c2nc(n(n2)C)CCc3nc4n(n3)c(cc(n4)C)C	6626
+C(OC(=O)NC1C=2N(C(=O)C=C(N=2)c3ccncn3)CCCC1)C	101
+C1CCC2(CCCN1C2)C(=O)N	327
+C1CCN2CCCC1(CNC(=O)c3c4c([nH]c3)cccc4)C2	56
+FC(F)(F)c1ccc(cc1)NS(=O)(=O)c2cccc(C(=O)N3CCN4CCCCC4C3)c2	30
+CC(C)(C)[Si](C)(C)OCC1CCCCN1	19
+C[Si](C)(C)CCOCn1c2c(c3c(ccnc13)OCC4CCCCN4)cc(C#N)nc2	3876
+Cc1cc(cc(C)c1S(=O)(=O)N2CCCCC2CO)OC	92
+CC(C)(C)C(=O)Nc1c(C(OC)=O)c([N+](=O)[O-])c(N2CCCC2=O)cc1	654
+CC(C)(C)OC(=O)N1c2cc(ncc2C(C)(C)C1)N3C(CCC3)=O	6627
+CC(C)(C)OC(=O)N1CCc2c(CC1)cc(Oc3ccc(cn3)N4C(CCC4)=O)cc2	3219
+CC(C)(C)OC(=O)N1C(=O)CCC1	3877
+CC(C)OCCCn1c(nc2cnc3c(ccc(c3)N4CCCC4=O)c12)COCC	2653
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CN3CCCC3=O)cc1)Br)CC	806
+c1c(cc(cc1)-c2nc(-c3cnccc3)no2)N4C(=O)CCC4	654
+n1c(c(Cl)ncc1)N2CCCC2=O	3613
+c1c(C)ccc(n1)N2CCCC2=O	3878
+N1(CCCC1=O)CCc2ccc(Br)nc2	638
+c1c(C(=O)O)cc(cc1[N+]([O-])=O)N2CCCC2=O	654
+c1(nc2c(c(Cl)c1)cc(cc2)N3CCCC3=O)C	883
+C1CC(CCN1c2nc(CN3CCCC3=O)nc4c2c(cs4)-c5ccccc5)CO	6628
+c1ccccc1CSc2c(c(N3CCCC3=O)ccc2)C	654
+C1CN(CCC1COc2ncc(nc2)-c3ccc(C(=O)N4CCCC4C(=O)N)c(F)c3)CC(C)(C)F	3388
+CC(C)(C)OC(=O)N1C2CC(C1C(N3CCCC3C(=O)N)=O)CC2O	348
+CC(C)(C)OC(=O)N1C(Cc2c(C1)cc(O)cc2)C(N3CCCC3C(=O)N)=O	348
+CC(C)(C)OC(=O)NC(C(=O)N1C(CCC1)C(=O)N)C2CCC(CC2)NC(=O)OCc3ccccc3	348
+CC(C)(C)OC(=O)NC(CCC(=O)OCC)C(N1C(CCC1)C(N)=O)=O	348
+CC(C)(C(C(=O)N1CCCC1C(OC)=O)NC(OCC)=O)SC(C)C	478
+C1C(C(OC)=O)N(c2nc(ncc2)-c3cnc4ccc(cn34)F)CC1	2619
+FC1CN(CC1)c2nc(cc(C)c2[N+]([O-])=O)N3CCOCCC3	43
+c1cc(ccc1C#Cc2ccc(cc2)CN3CCOCCC3)C(=O)OCC	48
+c1cc(ccc1C#Cc2ccc(cc2)C(N(C(C)(C(=O)NOC3OCCCC3)C(=O)NC)C)=O)CN4CCOCCC4	48
+C1CCN(CCO1)c2cc(Cl)ncn2	54
+c1(c(C)c(C)ccc1C)Oc2cnnc(O)c2Cl	3879
+n1nc(O)c(Cl)c(c1)Oc2c(cccc2)C(C)=O	3879
+C(OC)(=O)C1C=CCN2N1C(C(C2=O)(C)CCO)=O	168
+C(=C)P(C=C)(=O)c1ccc(cc1)F	6629
+CC(C)(C=O)c1cc(c(F)cc1)Br	1137
+CC(C)(C=O)c1c(cc(OC)c(Br)c1)Cl	1137
+CC(C)(C)OC(N1C2CC(CC1CC2)C=O)=O	1137
+CC(C)(C)OC(=O)N(Cc1ccc(cc1)-c2ccccc2)C3CC(CC3)C(=O)CCC=C	3681
+CC(C)(C)OC(=O)N1CC(F)(F)C(=CC(=O)OCC)CC1	3676
+CC(C)(C)OC(=O)N1CCC(CC1)N2c3c(cc(c(c3)C)F)NC2=O	6630
+CCC(CC)(c1ccc2oc(cc2c1)C)O	6631
+c1cc(ccc1S(=O)(=O)N)-c2c(c(sc2C(CC)=O)N3CCOCC3)C	3880
+O=Cc1c(C)cc(cc1OC)Br	3881
+Cc1cc(cc(C)c1Oc2nc(cc(NC(CC)CC)c2C)C)C=O	3882
+FC(F)(F)c1cnc(C(C)=O)cc1	6632
+FC(F)(F)c1ccc(Oc2ccc(cc2)CCO)cn1	6633
+FC(F)(C1(OC1)c2c(F)cc(cc2)F)SCC	2059
+c1cc(F)c(c(OC)c1OC)C=O	6634
+OC12C(C(CC=O)CC1)(C)CCC3C2CCC4C3(CCC(O)C4)C	1137
+CC(C)(OCC)COC1CC(C1)N2c3n(ncn3)C(CCC)=C(C2=O)Cc4ccc(cc4)-c5ccccc5C#N	6635
+C1CC(CCC1N2c3n(ncn3)C(=C(C2=O)Cc4ccc(cc4)-c5ccccc5C#N)CCC)OC(C(C)(C)O)CC	6636
+c1c(Br)c(F)ccc1C=C	6637
+c1(cccc(Cl)c1CCOCCN2CCC3(CC2)CO3)Cl	6638
+c1ccc2C(=O)N(C(c2c1)=O)CCCC(CO)N(C(=O)NCc3cccc(c3Cl)F)C	6639
+C1OC1(c2ccc(cc2F)F)C(C)c3cccnc3	2059
+c1c(cc(c(I)c1)C=O)Br	3881
+c1cc(ccc1)C(c2ccccc2)(C=O)CC(C)N(C)C	1137
+c1cc(ccc1)CN(Cc2ccccc2)c3ccc(C=O)nc3	6640
+c1cc(ccc1-c2oc3c(cccc3c2)C(=O)OC)[N+](=O)[O-]	6641
+c1ccccc1COc2ccc(cc2)C3(CC3)c4nc5c(nc(-c6ccc(cc6F)C7OCCCO7)s5)cc4	6642
+c1cc(ccc1Cl)Oc2ccc(c(Cl)c2)C3(CC)CO3	2059
+c1cc(ccc1F)CCN2CCC(CC2)C=O	1137
+c1cc(ccc1-c2cc(-c3ccc(cc3)Cl)sc2C(CC)=O)S(=O)(=O)N	3880
+c1(cc(cnc1)C#Cc2cccc(c2)OC)C=O	6643
+c1ccccc1CN2CC(NC)C(c3cc(F)c(cc3)Cl)C2	3883
+c1cc(ccc1)CN2CC(NC)C(c3cc(c(Cl)cc3)Cl)C2	3883
+C1CC(CCC1CCOCc2ccccc2)=C	6644
+c1ccccc1COc2c(cc(Cl)cc2)C3(C)OC3	2059
+O=Cc1c2ccncc2c(cc1)Br	3882
+C1CC1c2c(OCC3OCCC3)nc(cc2)C(O)=O	2060
+c1(F)c(ccc(N2C(c3c(C=C2)cc(OCC4CCCO4)cc3)=O)c1)Br	6645
+CC1(C)OB(OC1(C)C)c2cccc(c2)OCC3OCCC3	17
+FC(F)(F)C(=O)c1cn(CC2OCCC2)c3cccc(Cl)c13	531
+CC(C)CNCc1cc2OCCCOc2c(c1)Cl	42
+C1CC(CCN1C(=O)c2cc(Cc3c4c(c(O)nn3)CCCC4)ccc2F)C(OCC)=O	30
+C1CCc2c(C1)c(nnc2Cc3ccc(F)c(C(=O)O)c3)O	3831
+O=S(=O)(c1c(cc(cc1)F)NC2c3c(ccc(c3CCC2)OC)OC)C	60
+C1c2c(CCC1)ccc(OC)c2O	1991
+OC1c2c(CCCC1)cccn2	59
+c12c(cccc1)nc(N)c3nc4n(OCCCC4)c23	445
+FC(F)(F)Oc1cc(ccc1)S(=O)(=O)Nc2cc(c(cc2)OC)C3CN(CC3)C(=O)CC	69
+C1CN(C(=O)CC)CC1c2c(ccc(N)c2)OC	0
+CC(C)(C)OC(N(CC(=O)N1CCSc2c1ccc([N+](=O)[O-])c2)CCO)=O	1568
+Clc1ccc2c(NC(N2C3C(C)CN(CC3)C(=O)OC)=O)c1	1595
+C1CN(C(=O)OC)CC(C)C1Nc2c(N)cc(Cl)cc2	0
+CCNC1CCNCC1C	215
+N1CC(c2cc(ccc2)OC)=CCC1	6646
+C1CN(C(CC1c2n3c(c(N)ncc3)c(Br)n2)=O)C	522
+CC(C)(C)OC(N(CC(=O)N1c2cc(ccc2SCC1)[N+]([O-])=O)C)=O	1568
+FC(F)(F)COc1c(Cl)cccc1CC(N2CCN(c3c(C)cccc3)CC2C(=O)N)=O	6647
+CC(C)(C)OC(N1C(C)CN(CC1)c2nccnc2Cl)=O	23
+c1ccccc1Cc2c(C)c(c(nn2)N3CC(C)NCC3)C	6648
+N1(CCN(c2ncc(C(OC)=O)nc2)C(C)C1)c3nnc(c(C)c3C)Cl	317
+Nc1c(c(N2CCC3C(C2)OCC(=O)N3)cc(C#N)c1)Cl	467
+CC(C)(C)[Si](C)(C)OC1CN(CC1)c2ccc(cc2F)[N+]([O-])=O	19
+c1cc(ccc1OC(OC2CCN(C2)c3ncc(C(=O)N)cc3)=O)[N+]([O-])=O	405
+CC(C)(C)[Si](C)(C)OC1CN(c2ccc3c(c(Cl)ccc3n2)N)CC1	19
+c1c(ccc2n1c(C3CN(C)CC3)nn2)OC4CCC(N)c5ccccc45	870
+C1CN(CCC)CC(c2cc(ccc2)O)=C1	5
+c1c(C)c(c(cc1C)C)CC(=O)NC2(CCN(CC2)OCC)C#N	68
+c1cc(ccc1)C(N2CCC3(CC2)C(c4c(C3)cccc4)=O)=O	214
+c1cc(ccc1)CN2CCC(CC2)(Nc3ccccc3)C(=O)OC	325
+C1CN(CCC1(F)C(O)=O)C2CCCN(CC2)C(OCC)=O	3
+C1CC(CCN1Cc2ccccc2)(Nc3cccc(c3)C)CO	44
+CC(C)(C)OC(NC1(CCN(CC1)C(OCC)=O)CC#N)=O	37
+C1CC(CCN1c2sc3c(ccc(Cl)c3)n2)(CCCl)CC	221
+C1CN(CCC1(CC)CCOc2cc(ccc2Cl)CC(O)=O)c3sc4c(ccc(Cl)c4)n3	4
+C1CC(CCN1C(c2ccccc2)=O)(c3ccccc3)CCN4CCC(CC4)c5nc(Cc6cccnc6)no5	61
+CC(C)(C)OC(NCCC1(CCN(CC1)Cc2ccccc2)O)=O	37
+C1CN(CCC1(c2c(cccc2)C)CNC(=O)OCC)C(=O)OCC	101
+C1CN(CCC1(CN2CCNCC2)c3ccccc3)C	25
+c1ccccc1C(c2ccccc2)NC(=O)N3CCN(CC3)CC4(CCN(CC4)C)c5ccccc5	384
+c1ccccc1C2(CCNCC2)CNC(c3ccccc3OC)=O	25
+c1cc(ccc1)CN2CCC3(CC2)COC(c4ccc(cc4)OCCCN5CCCC5C)=N3	6649
+C1CN(CCC1(COc2ccc(cc2)C#N)O)Cc3ccccc3	57
+C1CN(CCC1(F)CN=[N+]=[N-])C(=O)OCc2ccccc2	133
+CC(C)(C)NC(=O)C1(CCN(CC1)C2CCCN(CC2)C(OCC)=O)F	9
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+FC(F)(F)c1ccc(cc1)-c2nnc(N3CCN(C(C)C3)C(N4CCC(CC4)(F)F)=O)c5c2ccnc5	468
+C1CN(CCC1(F)F)C(=O)c2nc(sc2)C(NN)=O	6650
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(OCC)=O)o3	126
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(=O)O)o3	6
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+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)(C(=O)N)N)N3C(NC(=O)C3(C)C)=O	527
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+C1CN(CCC1(CN)c2ccccc2C)C(=O)OCC	51
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+C1CC(CCN1c2ncnc3nc[nH]c23)(C=O)c4cccc(-c5cn(nc5)C)c4	24
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+C1CC(CCN1C)(c2ccc(Cl)c(Cl)c2)C(=O)OCC	27
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+c1cc(ccc1)C2(CCN(CC2)Cc3ccccc3)CN4CCN(CC4)C	6651
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+C1CN(CCC1)C(c2ncc(cc2)I)=O	3884
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+C1CN(CCC1)C(Cc2ccccc2)C(=O)N3C(CCC3)C(=O)N4C(CCC4)C(O)COc5ccccc5	2654
+c1cc(ccc1OCc2ccccc2)S(=O)(=O)NCC(N3CCCCC3)C(=O)OC	71
+C1CCCCN1C(NCc2cccnc2)=C[N+](=O)[O-]	2063
+C1COCCN1c2cnc(C(=O)N3CCCCC3)cc2	2064
+c1cc(ccc1)COCC2CC(C2)(N3CCCCC3)CN	51
+C1CN(CCC1)C2(CC(C2)CO)CNC(=O)c3c(Cl)cc(cc3)Cl	118
+C1COCCN1c2c3c(cc(CN4CCC(CC4)N5CCCCC5)s3)nc(Cl)n2	509
+C1CN(CCC1N2CCCCC2)c3c(C(C)=O)cc(c4cccnc34)Cl	1563
+FC(F)(F)c1cc(-c2nc3c(c(c2CN4CCC(CC4)N5CCCCC5)C(OC)=O)cc(cc3)S(=O)(=O)C)ccc1	619
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+CC(C)(C)[Si](C)(C)OCCCc1cc2C(C)(C)CCC(C)(C)c2cc1C=O	6652
+c1ccccc1-c2cc(C=O)c(cc2)CO	6653
+C1CN(CCC1)CC#CC(=O)Nc2ccc3ncc(C#N)c(Nc4cccc(Br)c4)c3c2	2355
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+C1CN(CCC1)CCCC#Cc2c3nc(nc(c3n(COCc4ccccc4)c2)N)CCCC	3885
+C1CN(CCC1)CCCCCc2c3nc(CCCC)nc(N)c3n(c2)COCc4ccccc4	2065
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+C1CN(CCC1)CCCCCc2c[nH]c3c(nc(CCCC)nc23)N	6654
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+O(C)C(OC)CNCCCN1CCCCC1	110
+C1CCCCN1CCCN=C=S	985
+C1CCCCN1CCCNC(c2cc(Br)ccc2)=O	93
+C1CCCCN1CCCNc2c([N+]([O-])=O)ccc(Cl)n2	70
+C1CCCCN1CCCNc2nc(ccc2[N+](=O)[O-])Br	340
+C1CN(CCC1)CCCN2CCC(CC2)CCCN3C(=Nc4c(OC)cccc4C3=O)C=Cc5ccc(cc5)Cl	2066
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(c(OCCCN3CCCCC3)cc2)F	79
+C1CN(CCC1)CCCOc2c(OC)cc3c(ncnc3Oc4ccc5c(c4)cc(C(O)=O)[nH]5)c2	185
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+C1CN(CCC1)CCOCC=2NC(=NC(c3cc(c(cc3)C)[N+](=O)[O-])C=2C(=O)OCCCc4ccccc4)c5occc5	6655
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+C1CN(CCC1)CCOc2ccc(cc2)C3c4c(ccc5c4ccc(OC)c5)-c6ccc(cc6O3)CO	98
+FC(F)(F)S(=O)(=O)Oc1c(Oc2ccc(cc2)OCCN3CCCCC3)c4ccc(cc4cc1)OC	166
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+C1CCCCN1CCn2c3c(c(-c4ccc(cc4)NC(NCc5cccnc5)=O)n2)cccc3	1016
+C1CN(CCC1)Cc2ccc(OCCCCCOc3c4c(cc(Cl)cc4)ncc3)c(c2)OC	8
+C1CN(CCC1)Cc2cc(ccc2)OCCCCN	51
+c1cc(ccc1C(c2ncccc2)CCN(CCNC(=O)NCCCCOc3cccc(c3)CN4CCCCC4)C)Cl	1957
+C1CN(CCC1)Cc2oc(cc2)CNCCN3c4c(NC3=O)cccc4	3887
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+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(CCCCSCCOC(C)=O)=O	152
+Cc1cccc(C)c1CCCn2c3c(nc2CN4CCCCC4)cccc3	656
+C[Si](C)(C)c1ccc(cc1)-n2c(c(cc2-c3ccc(cc3Cl)Cl)C(=O)NN4CCCCC4)C	1872
+FC(F)(F)CCOc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C	6659
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+c1ccccc1COc2ccc(cc2)-n3c(c(nc3-c4c(Cl)cc(cc4)Cl)C(NN5CCCCC5)=O)C	3888
+C1CN(CCC1)c2cc([n+](cc2Br)[O-])C	103
+C1CN(CCC1)c2cc(N(C)C(C)=O)ccc2N	0
+C1CN(CCC1)c2cc(N(C)C(C)=O)ccc2[N+](=O)[O-]	808
+O=S(=O)(C)N(c1cc(c([N+](=O)[O-])cc1)N2CCCCC2)C	1632
+C1CCCCN1c2c(N)ccc(OCC)c2	0
+C1CN(CCC1)c2cc(c(cc2)OC)CCN3CCC(CC3)n4ccc5c4cc(C(=O)N)cc5	61
+C1CN(CCC1)c2cc(ccc2NC(=O)c3oc(C#N)cc3)N(C)S(=O)(=O)C	1129
+C1CN(CCC1)c2cc(OCC)ccc2[N+]([O-])=O	556
+C1CCCCN1c2cc(-n3ccnc3)ccc2[N+](=O)[O-]	2067
+FC(F)(F)c1c(nccc1)N2CCN(CC2)c3nc(N4CCCCC4)cc(n3)Cl	117
+C1CN(CCN1c2ccc(C(C)=O)cc2F)C(=O)c3cc(S(=O)(=O)C)ccc3N4CCCCC4	30
+C1CN(CCC1)c2cc(c(N)cc2)C(=O)N	0
+FC(F)(F)c1cccc(-n2cc(NC(=O)c3c([N+](=O)[O-])ccc(N4CCCCC4)c3)nc2)c1	1351
+O=S1(=O)c2ccc(-c3ccc(cc3)N4CCCCC4)cc2C=C(CC1)C(=O)OC	750
+C1CN(CCC1)c2ccc(N)nc2	161
+C1CN(CCC1)c2nc(-c3ccc(cc3C)C)c(c(C)n2)C(CCC)C(O)=O	4
+O=C1c2c(C(=O)N1CCN3CCNc4c(nc(C#N)nc34)N5CCCCC5)cccc2	332
+c1cc(ccc1C)-c2c(C(CCC)C(OC)=O)c(nc(N3CCCCC3)n2)O	1173
+C1CCCCN1c2cc(nc(n2)-c3ccc(cc3)-c4ccccc4)C(OC)=O	345
+C1CN(CCC12NC(C(=C2O)c3cc(c(cc3C)F)-c4ccc(cc4)Cl)=O)OC	11
+C1CN(CCC12c3c(NC2)cccc3Br)Cc4ccccc4	15
+c1cc(ccc1)CN2CCC3(CC2)C(c4c(C3)ccc(OC)c4)O	74
+c1cc(ccc1F)C2C3(CCN(CC3)Cc4ccccc4)CNC2	15
+C1CN(CCC12CC(C(C2)NCc3nc4c(SCC(N4)=O)cc3)O)c5ccnc6ccc(nc56)OC	294
+C1CC2(CCN1C(c3ccccc3OC)=O)Oc4c(C(O)C2)cccc4	74
+C1CN(CCC12CC(c3cc(ccc3O2)C=CC(O)=O)=O)CCc4c[nH]c5ccccc45	127
+C1CCC1N2CCC3(CC2)CCNCC3	25
+C1CC2(CCN1Cc3ccccc3)CCNCC2	15
+C1CN(CCC12CCc3ccccc23)CC4Cc5ccccc5N(CC(O)=O)C4=O	4
+C1CN(CCC12CCc3ccccc23)CC4Cc5ccccc5N(CC(N(C)C)=O)C4=O	10
+C1CC2(CCN1)c3ccc(cc3OC2)O	25
+C1CN(CCC12COc3cc(ccc23)O)Cc4ccccc4	5
+CC(C)(C)C(=O)OC1=C(c2c(cc(c(c2)-c3ccc(cc3)Cl)F)C)C(NC14CCN(CC4)OC)=O	6660
+C1CC2(CCN1C(=O)c3ccc(cc3)-c4cn5c(-c6ccc(cc6)C#N)cnc5cc4)N(CCCC2)C(=O)C	58
+C1CN(CCC1(O)CN)C(c2ccc(cc2)F)=O	906
+CC(C)(C)OC(N1CCN(CC2(CCN(CC2)c3ncnc(Cl)c3)O)C(=O)C1)=O	6661
+C1CC1N2C(=O)COC3(CCN(CC3)C(C)c4c(F)cc(-c5ccc(cc5)OC)cc4)C2	11
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4cn(nc4C)-c5ncccc5COC	3889
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4c(C)nn(c4)-c5c(C=O)cccc5F	39
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4c(nn(-c5c(F)cccc5CO)c4)C	98
+CC(C)(C)OC(CCOCCc1cc(CCN2CCC3(CC2)OCCN(C(c4nc(sc4)C(C)C)=O)C3)cs1)=O	1615
+C1CN(CCC12OCCN(C(c3nc(sc3)C(C)C)=O)C2)CCc4cc(sc4)CCO	59
+C1CN(CCC12OCCO2)CCN	51
+C1CC(CCN1CCc2c(OC)cc3c(N(CCC3)C)c2)=O	97
+C1CN(CCC12OCCO2)CCc3c(cc4c(NCCC4)c3)OC	1352
+C1CN(CCC12OCCO2)CCc3c(OC)cc4c(N(CCC4)C)c3	1353
+O(c1cc(cc(OC)c1OC)-c2nccc(CN3CCC(CC3)=O)c2)C	97
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC3(CC2)OCCO3)N4C(NC(=O)C4(C)C)=O	6662
+C1CN(CCC1=O)c2cc(ncn2)Cl	97
+C1CN(CCC12Oc3c(C(=O)C2)cc(NS(=O)(=O)C)cc3)C	80
+C1CN(CCC12Oc3ccc(cc3C(C2)=O)C#N)C(=O)c4cc(OC)c5cccc(OC)c5n4	160
+c1ccccc1COC(c2ccc3c(C(=O)CC4(CCN(CC4)C(=O)c5cc(OC)c6cccc(OC)c6n5)O3)c2)=O	2656
+C1CN(CCC12Oc3c(cc(N)cc3)C(=O)C2)C	0
+C1CC2(CCN1C(=O)c3cc(OC)c4cccc(OC)c4n3)CC(=O)c5cc(ccc5O2)-c6[nH]nnn6	1174
+C1CN(CCC12c3c(CCO2)cc(F)s3)Cc4c(nn(c4)-c5ncccc5C(=O)N)C	745
+CC(C)(C)OC(=O)N1CC2(CCN(CC2)Cc3ccccc3)c4c1cccc4Br	603
+C1CC(CCN1c2ccc(Cl)c(c2)OC)=CCOC	3890
+C1CN(CCC1CC(OCC)=O)OC	774
+c1cc(ccc1OC)N2CCC(CC2)N	733
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+C1CC(CCN1c2nc(Cl)c(CO)nc2Cl)=NOC3CCN(CC3)C(=O)OC(C)C	2068
+CC1(C)CC(CC(C)(C)N1)Nc2nc(ccn2)-c3ccc(cc3)C4(CCN(CC4)C)O	251
+CC1(C)CC(CC(C)(C)N1)Nc2nccc(-c3sc(C4(CCN(CC4)C)O)cc3)n2	3213
+Clc1cc2c3CN(C)CCc3n(CC(OCC)=O)c2cc1	6663
+C(OC(CCn1c2CCN(Cc2c3cc(C)ccc13)C)=O)C	6664
+C1CC(CCN1C)(O)C#N	3637
+c1cc(ccc1C)NC2(CCN(CC2)C)C#N	1621
+C(#N)Cn1c2CCN(Cc2c3cc(C)ccc13)C	6665
+c12c(C)cc(OC)cc1c(C=3CCN(C)CC=3)c[nH]2	888
+[nH]1c2CCN(Cc2c3cccc(Br)c13)C	518
+c1c2c(CCN2C(=O)C)cc3[nH]cc(c13)C=4CCN(C)CC=4	888
+C1CC(CCN1C)(c2cc(F)c(Br)cc2F)O	251
+c1c(cc2c(C=3CCN(C)CC=3)c[nH]c2c1)Br	888
+c1ccc2c(c1)[nH]c3CCN(Cc23)C	6666
+c1cc(ccc1CNC2CCN(CC2)C)C	87
+c1cc(ccc1CNC2CCN(CC2)C)F	87
+c1ccccc1CN2C(CN(C3CCN(CC3)C)CC2)C	85
+c1ccccc1S(=O)(=O)Oc2cc3c(C=4CCN(C)CC=4)c[nH]c3c(c2)Br	888
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+C1C(C=O)=C(Cl)CCN1C(OCC)=O	2657
+c1cc(ccc1NC2(CCN(CC2)C(=O)OCC)C#N)F	1621
+C1CC(CCN1C(=O)OCC)N2CCc3c2cccc3	3891
+C1CN(CCC1(O)Cc2ccc(cc2)C)C(=O)OCC	3892
+C(C)OC(N1Cc2c3cc(C)ccc3[nH]c2CC1)=O	518
+C1CN(CCC12OC2)C(c3ccc(cc3)F)=O	1626
+C1CN(CCC1Nc2ccccc2N)C3CC4CCCc5cccc3c45	231
+C1CN(CCC12OCCO2)CC#N	381
+CC1CN(CC(C)O1)C2CCN(CC2)CC34c5c(cccc5)C(C3)c6c4cc(cc6)Cl	85
+C1COCCN1c2c3c(cc(CN(C4CCN(CC4)CCOC)C)s3)nc(n2)Cl	85
+c1cc(ccc1COc2c(cc(Br)cc2)CN3CCC4(CC3)CO4)Cl	1626
+C1CN(CCC1NC)Cc2cc(c(F)cc2)F	87
+C1CC(CCN1S(=O)(=O)c2cccc(Cl)c2)(C#N)N	661
+CC1(C)OB(OC1(C)C)c2cccc(c2)N3CCC(CC3)=O	17
+C1CN(CCC12OC2)c3ncnc(Cl)c3	1626
+C1CN(CCC1=CC(=O)OC)c2ccc(Cl)c(c2)OC	1513
+C1CC(CCN1c2cccc(c2)-c3ccnc(Cl)n3)O	100
+c1cc(ccc1)C2C(NC3CCN(CC3)c4nccc(n4)N)C2	87
+C1N(CC1c2nccnc2N3CCC(CC3)(C)O)C(c4[nH]c5ccccc5n4)=O	3893
+c1cc(ccc1)C(N2CCC(CC2)C#Cc3cccc(c3)Br)=O	121
+c1cc(ccc1N2CCOCC2)-c3cnc(N)c(c3N4CCC(CC4)C#N)Cl	89
+C1CN(CCC1C(C)=O)c2c(nnc(Cl)c2)OC3CN(C3)c4ccc5c(cccc5)n4	485
+CC(C)(C)OC(n1ccc2c(NC(C3CCN(CC3)C(OCc4ccccc4)=O)=O)ccnc12)=O	26
+c1cc(ccc1)CN2CCCC(CN3CCC(CC3)C(=O)Nc4ccc(c(Cl)c4)Cl)C2	48
+c1cc(ccc1)NC(=O)C2CCN(CC2)Cc3ccc(cc3)-c4nc5c(cc4-c6ccccc6)cnc7n5nc(C)c7	33
+c1cc(ccn1)COc2c(nsn2)N3CCC(CC3)C(=O)O	6668
+C1CC(CCN1c2c(ccnc2)-c3sc(C)cn3)C(N4CCCC4C#N)=O	10
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+CC(C)C(N)CN1CCC(CC1)Cc2cc(c(Cl)cc2)Cl	15
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+C1CC(CCN1CCNC(=S)Nc2c(ccnc2)N)Cc3nc4cccnc4n3CCOCC	3902
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+C[Si](C)(C)Cn1nnc(c1)-c2cc3c(cc2)n(cc3)CC4CCN(CC4)C(CCc5ccccc5)=O	6677
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+CC1(C)C(C)(C)OB(O1)c2cc3c(n(cc3)CC4CCN(CC4)C(CCc5ccccc5)=O)cc2	17
+C[Si](C)(C)C#Cc1cc2c(n(CC3CCN(CC3)C(CCc4ccccc4)=O)cc2)cc1	263
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+CC(C)(C)C(Nc1cc(NC2CCN(CC2)C)c(Cl)cn1)=O	105
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+C1CN(CCC1NC(=O)c2cc(-c3sccc3)on2)CCOc4nc5c(ccc(OC)c5)nc4	81
+C1CN(CCC1NC(=O)c2cc(-c3sccc3)on2)CCSc4nc5cc(ccc5nc4)OC	81
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+C1CC(CCN1CCSc2nc3cc(OC)ccc3nc2)NCc4cc5OCCOc5cc4	42
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+FC(F)(F)c1cc(ccc1CNC2CCN(CC2)c3c4c(cccc4)c(nn3)-c5ccnn5C)F	42
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+CC(C)n1c(cnc1C)-c2ccnc(NC3CCN(CC3)C(=O)OCc4ccccc4)n2	6681
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+CC(C)(C)OC(=O)N(CC1CC1)C2CCN(CC2)C(OCc3ccccc3)=O	23
+CC(C)(C)OC(=O)N(Cc1c(cc2c(NC(=O)CS2)n1)Cl)C3CCN(CC3)CCN4C(=O)C=Nc5ccc(cc45)OC	23
+c1ccccc1CN2CCC(CC2)Nc3c(Br)cnc(NCc4ccncc4)n3	96
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+C1CC(CCN1)Nc2c(cc3c(c(ncn3)Nc4cc(ccc4)C#C)c2)OC	62
+c1cc(ccc1CCCCOCCCCBr)C(NCc2c(CC)nc3n(ncc3c2NC4CCN(CC4)C(=O)N)CC)=O	93
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+C1CN(CCC1N2C(=O)Nc3ccccc23)C4CC5CCCc6c5c4ccc6	1019
+C1CN(CCC1Nc2n(Cc3ccc(cc3)F)c4c(cccc4)n2)CCNC(NCc5cnccc5)=S	1832
+C1CN(CCC1Nc2nc3c(cccc3)n2Cc4ccc(C)o4)CCN	51
+C1CN(CCC1Nc2nc3cc(ccn3n2)-c4ccccc4)c5snc(n5)C	2070
+C1CN(CCC1Nc2ccc(C#N)nn2)Cc3ccccc3	2660
+CC(C)(C)C(OCN1C(=O)c2c(N=C1)cc(OC)cc2OC3CCN(CC3)C)=O	419
+C1CN(CCC1Oc2cc(C#N)ccn2)C	91
+C1CC(CCN1C)Oc2cc(Br)ccc2C	57
+c1cc(ccc1C=2C(=O)N(C=CC=2)C3CCN(CC3)C)C(OC)=O	6684
+C1CN(CCC1O)c2nc(C(C)C)no2	880
+c1(cccc(Cl)c1CCOCCN2CCC(CC2)O)Cl	15
+C1CN(CCC1O)CC23CC(c4ccc(cc24)Cl)c5ccccc35	15
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+C1CN(CCC1Oc2c(nccn2)Cl)c3ccc4ccccc4n3	799
+C1CN(CCC1Oc2cc(ccc2Br)F)c3ccc(-c4cc(cnc4)C(=O)OCC)cn3	20
+C1CN(CCC1=O)c2nccnc2C3CN(C3)C(c4[nH]c5ccccc5n4)=O	86
+C1CN(CCC1O)c2ccc(-c3cncc(C(OCC)=O)c3)nn2	1633
+C1CN(CCC1O)c2scc(n2)CN3CCN(c4c(c(C)cc5cccnc45)OCCCC(O)=O)CCC3	4
+C1CC(CCC1)(C(O)=O)NC(OC2CCN(CC2)C(OC)=O)=O	210
+C1CN(CCC1OC(Nc2ccccc2-c3ccccc3)=O)CCCCCCCCCNCc4c(O)cc(Cl)c(F)c4	42
+C1CC(CCN1c2c(C3CC3)cc(cn2)[N+](=O)[O-])OC(c4ccccc4)=O	6685
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+C1CNCCN1c2c(OC3CCN(CC3)c4ccc5ccccc5n4)nccn2	317
+C1CN(CCC1Oc2nccc(CN)c2)C	107
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+C1CN(CCC1Oc2cc(ccc2Br)F)c3sc(nn3)-c4nnn[nH]4	6688
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+C1CN(CCC1Oc2sc3cc(C4=CCN(S(=O)(=O)CCC(=O)OC)CC4)ccc3n2)c5nnc(C)s5	990
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+C1CC(CCN1)c2c(nnc(C)c2)O	62
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+C1CN(CCC1c2ccc(cc2)-c3c(Cl)cc4c(c(C(=O)OC)c[nH]4)c3)C(=O)C	749
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+c1ccccc1C2CCN(CC2)C(=O)C3CNCC34CCCc5ccccc45	25
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+C1CN(CCC1c2ccccc2)Cc3cnc(NC(C)=O)s3	290
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+C1CNCCC1c2oc(-c3ccc(cc3)F)c(COC)n2	526
+C1CN(CCC1n2ncc(-c3cc(c(nc3)N)-c4oc5c(ccc(OC)c5)n4)c2)C	3908
+C1CN(CCC1n2cc(-c3cnc(c(c3)C(Nc4c(O)cc(OC)cc4)=O)N)cn2)C	246
+C1CN(CCC1n2cc(cn2)-c3cnc(N)c(C(O)=O)c3)C	1
+C1CN(CCN1C)c2c(CN3CCN(CC3)C)cc(cc2)[N+](=O)[O-]	889
+C1CN(CCO1)Cc2ccc(cc2)N3CCC(CC3)N4CCN(CC4)C	85
+C1COCCN1c2c3c(cc(s3)CN4CCN(CC4)C)nc(Cl)n2	509
+C1CN(CCN1CCn2nc3c(-c4c(c5c(Nc6cc(c(OCc7ncccc7)cc6)Cl)ncnc5s4)CC3)c2)C	28
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+CC(C)(C)OC(CC(c1nc(C(N2CCN(CC2)C)=O)no1)CCCC3CCCCC3)=O	2661
+C1CN(CCN1c2n(C(C)C)c3ccc(Cl)cc3n2)C	2071
+CC1(C)c2c(N(C)C1=O)cc(-c3oc(N4CCN(CC4)C)nc3)cc2	6692
+C1CN(CCN1C)CCC2CC(CCC2(C)C3C(OC(C)=O)C4CCC(=C)C4(C)CC3)OC(=O)C	61
+C1CN(CCN1c2cc(N(CC)C(C)=O)c([N+](=O)[O-])cc2F)C	202
+C1CN(CCN1c2ncc(c(CC(=O)OCC)c2)[N+]([O-])=O)C	323
+C1CN(CCN1C)CCCc2c3c([nH]c2C=O)CCCC3	6693
+C1CN(CCN1c2cnc(O)c3c2cc(cc3)OC)C	244
+C1CN(CCN1c2cc(ccc2)Cc3c(C)nc(C(OCC)=O)s3)C	79
+C1CN(CCN1C)C(=O)Nc2cccc3nc(ccc23)NC4c5c(CC4)cccc5	2016
+C1CN(CCN1C)C(Nc2cc(c(cc2)NCC)[N+](=O)[O-])=O	2016
+C1CN(CCN1C)c2cc(cc(Cl)c2)C#N	34
+C1CN(CCN1C)c2cc(c(cc2)[N+](=O)[O-])N3CCCC(F)C3	202
+C1CN(CCN1c2c(cc(c(c2)NC)[N+](=O)[O-])Cl)C	202
+C1CN(CCN1c2cc(C(O)=O)c(cc2)[N+](=O)[O-])C	202
+C1CN(CCN1C)c2c([N+](=O)[O-])ccc(Cl)c2	34
+C1CN(CCN1C)Cc2nn3c(C(=O)NC(c4c(Cl)cc(cc4)Cl)=C3)c2	315
+C1CN(CCN1C)CCCCOc2ccc3c(n(-c4sc(c(n4)-c5cc(ccc5)Cl)C(N)=O)cn3)c2	53
+C1CN(CCN1c2nc(CC)nc(NN)c2F)C	6694
+C1CN(CCN1c2cc(c3CCCCc3c2)CC(=O)OCC)C	908
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+FC(F)(F)c1ccccc1CNC(=O)C2CCN(CC2)c3nc(nc(Cl)n3)N4CCN(CC4)C	436
+FC(F)(F)c1c(OCC)ccc(-c2cc3c(c(C#N)n2)nc([nH]3)CN4CCN(CC4)C)c1	894
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+C1CN(CCN1c2cc(cc([N+]([O-])=O)c2)F)C	34
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+C1CN(CCN1c2cc(c([N+]([O-])=O)c(CS(=O)(=O)c3c4ccccc4ccc3)c2)OCCCl)C	34
+O=S(=O)(c1ccc(O)c(c1)-c2nc(O)c3n(C)nc(c3n2)CCC)N4CCN(CC4)C	92
+O=S(=O)(N(C)c1cccc2c1[nH]c(C3=NCC(S3)CC(=O)N4CCN(CC4)C)c2)c5cccs5	10
+C1CN(CCN1CCn2ncc(-c3cc(-c4nc5ccccc5o4)c(nc3)N)c2)C	123
+C1CN(CCN1S(=O)(=O)c2sc(Br)c(c2)-c3sc(NC(C)=O)nc3C)C	1147
+O=S(=O)(c1cc([N+]([O-])=O)c(Cl)cc1)N2CCN(CC2)C	92
+C1CN(CCN1C)Cc2cccc(B(O)O)c2	48
+C1CN(CCN1c2c([N+]([O-])=O)cc(Nc3nccc(-c4c5ccccc5n(c4)C)n3)c(OC)c2)C	34
+C1CN(CCN1c2cc(NC(Cc3ccc4OCOc4c3)=O)c(C(=O)OC)c(c2)F)C	34
+c1(C)cc(cc(C)c1)NC(c2cccnc2SCc3ccnc(c3)N4CCN(CC4)C)=O	361
+C1CN(CCN1C)c2c(F)c(Cl)c([N+]([O-])=O)c(F)c2C	34
+c1(c(F)c(c(c(F)c1[N+](=O)[O-])F)N2CCN(CC2)C)F	34
+C1CN(CCN1C)c2cc(F)nc(F)c2	6696
+C1CN(CCN1c2nccc(N)c2)C	43
+C1CN(CCN1c2c(nccn2)Cl)C	317
+C1CN(CCN1C)c2cc3ncn(c3nc2)Cc4ccc(c(OC)c4)OCc5cnc(cc5)OC	6697
+C1CN(CCN1C(=O)c2cc(c([N+](=O)[O-])cc2)[N+](=O)[O-])C	30
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+C1CN(CCN1C)c2nc(nc(NN)c2)CC	54
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+C1CN(CCN1C)c2nc(N)nc(N3Cc4cc(Br)ccc4CC3C)c2	54
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+C1CN(CCN1c2c(cc([N+](=O)[O-])c(F)c2CC)F)C	34
+C1CN(CCN1c2c(cc(Br)cc2)C#N)C	34
+C1CN(CCN1c2cc(CC(=O)OCC)c(cc2)[N+](=O)[O-])C	79
+C1CN(CCN1C)c2ccc3C(COc3c2)=O	34
+C1CN(CCN1C)C=2c3c(Nc4cc(F)ccc4N=2)sc5c3ccc(Br)c5	6699
+C1CN(CCN1c2c3n(ccn2)c(cn3)-c4cccc(Br)n4)C	2072
+C1CN(CCN1C)c2n3c(nc(CN(C)C4c5ncccc5CCC4)c3Br)ccc2	1902
+C1CN(CCN1c2cccc3nc(CO)cn23)C	1902
+C1CN(CCN1C)c2ccc(c(Br)c2)[N+]([O-])=O	34
+C1CN(CCN1C=2c3cc(C)sc3Oc4c(N=2)ccc(c4)[N+](=O)[O-])C	6700
+c1ccccc1-c2c3ccccc3nc(N4CCN(CC4)C)n2	549
+c1cc(ccc1)CNC(=O)c2cnc(N3CCN(CC3)C)cc2-c4c(C)cccc4	43
+C1CN(CCN1C)c2c(cccc2)-c3ccc(cc3)Cn4ccc5cc(ccc45)C	79
+C1CN(CCN1C)Cc2ccc(cc2)-c3c(cc(cc3)CCC(OCC)=O)OCCCOC	48
+C1CN(CCN1C(c2cc(OC)c(cc2)Nc3nc(cnc3)-c4ccc(cc4)O)=O)C	30
+C1CN(CCN1C(c2ccc(cc2)-c3nc4n(ncc4)c(NCc5c(cc(cc5)Cl)Cl)c3)=O)C	30
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+c1cc(ccc1C(Nc2ccc(c(c2)C(OC)=O)C)=O)CN3CCN(CC3)C	171
+C1CN(CCN1C(c2ccc(cc2)Nc3nc(Cl)ccc3C(=O)N)=O)C	30
+C1CN(CCN1CC2=CC(c3ccc(cc3)S(C)=O)=NN(C2=O)CC4CC4)C	3909
+C1CN(CCN1C)C(=O)c2ccc3CN(c4c(cccc4)Cn23)C(c5ccc(cc5)C6CCCCC6)=O	147
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+C1CN(CCN1c2nc(C)nc3c2nc(-c4c(cccc4)F)n3-c5ccc(cc5)Cl)C	1310
+C1CN(CCN1C)C(c2cccc(c2)Br)c3ccc(cc3)Cl	2073
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+c1cc(ccc1N2CCN(CC2)C)C(=O)Nc3c(nc(Nc4c5ccccc5ncc4)s3)C(N)=O	34
+C1CN(CCN1c2ccc(cc2)C(Nc3c(nc(Nc4cc5cccnc5cc4)s3)C(N)=O)=O)C	34
+C1CN(CCN1C)CCCOc2ccc(cc2)NC=C3c4ccccc4NC3=O	183
+C1CN(CCN1c2ccc(cc2)C(Nc3sc(nc3C(N)=O)Nc4ccc(cc4)OC)=O)C	34
+c1cc(ccc1O)CCNc2nc(-c3cc(CN4CCN(CC4)C)ccc3)ccn2	48
+c1cc(ccc1OCCCN2CCN(CC2)C)Br	28
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+C1CN(CCN1C)c2ncc(cc2)C(OC)=O	43
+C1CN(CCN1C)c2c(CCCCCC)c(c(c3n2c4c(cccc4)n3)C#N)C	6701
+C1CN(CCN1C)CC(c2ccccc2)O	170
+c1ccccc1COC(NC2CCC(N3CCN(CC3)C)CC2(C)C)=O	85
+C1CN(CCN1c2nc(C)c(s2)C(N(Cc3c4c(nc(c3)O)cccc4)c5ccccc5)=O)C	641
+C1CN(CCN1C(c2n[nH]c(-c3cnc(nc3)Oc4ccccc4)c2)=O)C	147
+C1CN(CCN1Cc2nc3c(o2)cc(cc3)-c4c5c(cc(F)cc5)n(S(=O)(=O)c6ccccc6)c4)C	960
+C1CN(CCN1Cc2oc3ccc(cc3n2)-c4c5c(cc(F)cc5)n(S(=O)(=O)c6ccccc6)c4)C	960
+C1CN(CCN1CCn2nc(c(c2)-c3ccncc3)-c4cccc(N(S(=O)(=O)c5c(F)ccc(F)c5)COC)c4F)C	1306
+C1CN(CCN1CC=Cc2cc3c(c(Nc4cc(c(Sc5n(C)ccn5)cc4)Cl)c(cn3)C#N)cc2)C	3857
+c1ncncc1-c2c(-c3ccc(cc3)NCCN4CCN(CC4)C)[nH]c5ncc(Cl)cc25	53
+C1CN(CCN1C)c2cc(-c3nc(sc3)Nc4cccc(c4)C)ccn2	323
+C1CN(CCN1C)c2c(F)cc3c(nc(cc3CO)O)c2	2074
+c1nc(ncc1-c2cc(c(CN3CCN(CC3)C)cc2)F)N4CCOC(Cn5c6nc(-c7cn(C)nc7)cnc6nn5)C4	48
+C1CN(CCN1C2=Nc3c(N(c4cscc24)C)cccc3)C	6702
+FC(F)(F)c1c(ccc(NC2CCC(CC2)OCC(N3CCN(CC3)C(C4Oc5ccc(Cl)cc5C4)=O)=O)c1)[N+]([O-])=O	10
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CCC(CC2)C)C(=O)Nc3ncc(CN4CCN(CC4)C(CC(=O)OC)=O)s3	2075
+CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)C(CN2C(c3c(cccc3)S2)=O)=O	10
+C1CN(CCN1C(CNC(=O)c2ccc(cc2)Oc3ccccc3)=O)C(c4ccc(cc4Cl)Cl)=O	30
+C1CN(CCN1CCn2ccc3c4nc(-c5occc5)nn4c(nc23)N)C(Cc6ccc(cc6F)F)=O	123
+c1cc(ccc1C#N)CNC(N2CCN(CC2)C(=O)CNC(=O)OCc3ccccc3)=O	10
+CC(C)(C)OC(=O)N1CC(CC1)N2CCN(CC2)C(=O)Nc3cc(Cl)c(Cl)cc3	85
+c1cc(ccc1N2CCC(CC2)O)NC(=O)N3CCN(CC3)C(=O)c4cccn4C	6703
+C1CN(CCN1C(=O)c2cccs2)c3c4c(ncc(c4)F)nc(c3C(=O)OCC)O	1635
+C1CN(CCN1C(=O)c2cccs2)c3c4cc(cnc4nc(O)c3C#N)F	1635
+C1CN(CCN1C=2c3ccccc3N(C(=O)C=2C#N)Cc4ccc(cc4)F)C(c5cccs5)=O	1636
+C1CN(CCN1C(c2cccs2)=O)c3c4c(nc(O)c3C#N)cccc4	264
+CC(C)(C)OC(N1CC(C1)N2CCN(CC2)C(c3sccn3)=O)=O	85
+FC(F)(F)c1csc(n1)N2CCNCC2	6704
+C1CN(CCN1C(C)(C)C(N)=O)Cc2nc3c(nc(Cl)nc3cc2)N4CCOCC4	596
+c1cc(ccc1Cl)OCC(N2CCN(CC2)C(C=3N(c4ccccc4O)C(c5c(cccc5)N=3)=O)C)=O	58
+C1CN(CCN1)C(C)C=2N(C(=O)c3c(cccc3)N=2)c4ccccc4O	5
+C1CN(CCN1)C(C)C=2N(c3c(OC)cccc3)C(=O)c4c(cccc4)N=2	6705
+C1CN(CCN1C(COc2ccc(cc2)Cl)=O)C(C=3N(C(=O)c4ccc(cc4N=3)[N+](=O)[O-])c5ccccc5OCC)C	10
+C1CN(CCN1C(C#Cc2cccc(c2)Cl)CC)C(=O)OCCOC	66
+C1CN(CCN1C(OCC(NC)=O)=O)c2ncc(cc2)[N+](=O)[O-]	43
+C1CN(CCN1C(OCC)=O)C2Cc3c(Sc4ccc(SC)cc24)cc(cc3)OC	1148
+C1CN(CCN1C=2c3c(ccc(C)c3)Oc4c(C=2)cc(cc4)C)C(OCC)=O	6706
+C1CN(CCN1C(OCC)=O)CCCCCCCCCC	123
+C1CN(CCN1C(OCC)=O)CCCCCCCCCCCCCCC	123
+C1CN(CCN1c2c(F)cc([N+](=O)[O-])c(F)c2CO)C(=O)OCC	34
+C1CN(CCN1C(=O)OCC)C2Cc3c(ccc(c3)C)Sc4ccccc24	1148
+c1cc(ccc1C(N2CCN(CC2)C(=O)OCC)c3c(cccc3)Cl)Cl	2073
+c1ccccc1N(c2ccccc2)CC(=O)N3CCN(CC3)C(c4ccc(cc4)Cl)c5ccccc5	10
+c1cc(ccc1)C(=O)N2CCN(CC2)C3(Cc4cccc(Cl)c4)c5ccc(cc5NC3=O)Cl	115
+C1CN(CCN1CCN2CCOC2=O)C3c4ccccc4Sc5c(C3)cc(cc5)C	53
+c1cc(ccc1F)C(CN2CCN(CC2)C(=O)c3cc(C)n[nH]3)=O	147
+C1CN(CCN1CC(=O)c2ccc(cc2)F)C(c3c4nccn4ccc3)=O	6707
+C1CN(CCN1CC(COc2ccc3c(nc(s3)C)c2)O)CC4CN(c5ccc(cc5)F)C(C4)=O	28
+C1CN(CCN1)CCN(C2CCc3ccc(OC)cc3C2)CCC	15
+c1cc(ccc1C=Cc2cccc(c2)-n3c(CC)c(C(=O)N4CCN(CC4)CC5CCN(CC5)C)c(CC)n3)Cl	1020
+c1cc(ccc1S(=O)(=O)C)CCCN2CC(CCC2)CN3CCN(CC3)C(=O)Nc4ccc(F)c(Cl)c4	326
+FC(F)(F)c1c(ccc(NC2CCC(CC2)OCC(=O)N3CCN(CC3)CC4Cc5ccccc5O4)c1)[N+]([O-])=O	10
+C1CN(CCN1C(=O)NC)CCC#C	2041
+C1CN(CCN1c2nc(ccc2)-c3nc4c(c(O)n3)c(OC)cc(OC)c4)CCC(=O)OC	361
+CC(C)(C)OC(=O)N1CC=C(C(c2ccc(cc2)F)C(=O)N3CCN(CC3)CCCCc4cccc5ccccc45)CC1	3437
+C1CN(CCN1C(C)=O)CCCOc2cc(OC3CCOC3)c4c(ncnc4c2)Nc5cc(c(F)cc5)Cl	319
+C1CN(CCN1C(C)=O)CCCOc2cccc3c2CCC(=O)N3	319
+C1CN(CCN1C(=O)N2CC(C(C)Oc3ccc(cn3)Cl)C(c4cc(c(Cl)cc4)Cl)C2)CCN(C)C	776
+c1cc(ccc1N2CCN(CC2)CCN(C)C)C=O	34
+C1CN(CCN1)CCN(C2Cc3cc(ccc3CC2)O)CCC	5
+C1CN(CCN1Cc2ccc3c(cc[nH]3)c2)CCN(C4Cc5cc(O)ccc5CC4)CCC	48
+C1CN(CCN1c2ccnc3c2cccc3OC)CCN(C4Cc5cc(ccc5CC4)O)CCC	264
+CC(C)(C)OC(=O)N1CCN(CC1)CCO	23
+CC(C)(C)[Si](C)(C)OCCN1CCNCC1	19
+C1CN(CCN1CCO)C2Cc3c(c(OC)c([N+](=O)[O-])cc3)CCC2	85
+C1CN(CCN1CCO)c2cc(nc(C)n2)Cl	54
+C1CN(CCN1c2ncc(s2)C(OC)=O)CCO	641
+C1CN(CCN1CCO)CCCn2c3c(nc2OC)c(nc(OCCCC)n3)N	53
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCO	1109
+c1cc(ccc1C(=O)N2CCN(CC2)CCO)C(N3CCN(CC3)c4c(NC(C)C)cccn4)=O	30
+c1cc(ccc1COC(N2C(CC(C2)SCc3ccc(cc3)OC)C(N4CCN(CC4)CCO)=O)=O)[N+](=O)[O-]	10
+c1cc(ccc1SC)CN2CCN(CC2)CCO	171
+c1ccccc1-n2c(N3CCN(CC3)CCO)c(c4c2cccc4)C=O	2646
+C1CN(CCN1CCO)c2nnc3ccc(F)cn23	3632
+C1CN(CCN1CCO)c2nc(cnc2)NC(NCC)=O	317
+C1CN(CCN1c2cc(N)ncn2)CCOC	54
+C1CN(CCN1CCc2cc(Nc3ncc4CC(c5c(cccc5)-c4n3)c6c(cccc6)F)ccc2)CCOC	123
+c1cc(ccc1Cl)N2CCC(C2=O)CN3CCN(CC3)CCOCC#C	6708
+C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F	61
+C1CN(CCN1c2nc3c(cncc3)nc2Cl)Cc4ccc(cc4F)F	1322
+C1CC(CCC1)C(C)NC(c2c3ccccc3nc(c2CN4CCN(CC4)C(=O)Cl)-c5cccs5)=O	6709
+C1CN(CCN1Cc2cncc(C(=O)OC)c2)Cc3c(cccc3)F	48
+C1CN(CCN1C(=O)ON2C(CCC2=O)=O)Cc3ccc(Cl)cc3N4Cc5ncnn5CC4	613
+FC(F)(F)c1ccc(cc1)-c2nc(CN3CCN(CC3)Cc4ccc(c(OC)c4OC)OC)c(C)n2C	879
+C1CN(CCN1C(c2cc(ccc2)OCc3ccccc3)c4ccc(cc4)Cl)Cc5cccc(c5)C	2073
+C1CN(CCN1C(c2ccccc2)=O)Cc3nc(N=C4SC(=CN4COC)Br)ccc3	115
+c1cnccc1CN2CCN(CC2)c3c(Br)cnc(N)c3[N+]([O-])=O	264
+C1CN(CCN1C)Cc2nc3c(ccc(F)c3)cc2C(C)Nc4ncnc(N)c4C#N	1022
+C1CN(CCN1c2c(cc(-c3ccnc(c3)Cl)[nH]2)C(=O)N)C(OCc4ccccc4)=O	66
+C1CN(CCN1c2c(C)cc(cn2)C)C(=O)c3ccc(cc3Cl)Br	1997
+C1CNCCN1c2c(cc(c(N)c2)N)F	0
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cc3NC(=S)Nc3c2)F	23
+C1CN(CCN1CCC#N)c2cc(ccc2OC(C)C)F	987
+FC(F)(F)CCN1CCN(CC1)c2c([N+]([O-])=O)cc(c(c2)Cl)Cl	28
+C1CN(CCN1c2c(c(C)ccc2)C)CCC3CO3	28
+CC1(C)CC(C)(C)CC(c2c(cccc2C)N3CCN(CC3)CCC)=C1	61
+C1CN(CCN1Cc2cnc([nH]2)-c3ccccc3)c4c(cc(C(=O)OCC)c(n4)C)C#N	879
+C1CN(CCN1c2ccccc2OCCC)CCCCN3C(=O)NC(=O)c4c3cccc4	53
+C1CN(CCN1c2c(COC)cccn2)C(=O)C3Oc4ccccc4OC3	58
+C1CN(CCN1c2ccc(cc2)C#N)c3c(nc(nc3C)N)N	34
+C1CN(CCN1c2c3CCC(N4c3c(C(C(C(=O)O)=C4)=O)cc2F)C)Cc5ccc(cc5)[N+]([O-])=O	131
+C1CN(CCN1c2c3ccsc3ccc2)CCCOc4n(C)nc(C(=O)OC)c4	53
+CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCN(CC2)c3c4cc(ccc4on3)F	61
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3c([nH]c2)cccn3	23
+c1ccccc1S(=O)(=O)NC(CO)C(=O)N2CCN(CC2)c3cc(C)ccc3C	10
+C1CN(CCN1)c2ccnnc2N(C)C	1288
+C1CN(CCN1c2nc(-c3ccccc3)nc(c2)NCCNC(=O)C)C(=O)c4nc5ccccc5cc4	147
+C1CN(CCN1Cc2cc(cc(OC)c2O)[N+]([O-])=O)c3cc(O)ncn3	48
+C1CN(CCN1c2cc(ncn2)O)Cc3ccccc3C	48
+CC(C)(C)OC(N1CCN(CC1)c2cc([N+]([O-])=O)ccc2OC)=O	23
+c1cc(ccc1)C(c2ccccc2)CCN3CCN(CC3)c4cc(ccc4)C(=O)OCC	28
+C1C(CO1)N2CCN(CC2)c3ncc(-c4nc(OC(C5CNC(=O)C5)C)c6c(c4)ncn6C)cc3	85
+C1CN(CCN1)c2c(N)cc(cc2)C(=O)c3ccccc3C(=O)OC	0
+C1CN(CCN1Cc2cc(OCC)c3c(NC(C(O3)C)=O)c2)c4c(cc(C(NC5CC5)=O)cc4)C	48
+CC(C)(C)n1c(cc(CCCN2CCN(CC2)c3ccc(c(c3)C)C)n1)-c4ccc(cc4)Cl	61
+C1CN(CCN1c2cc(OC)c(cc2)Nc3nc(-c4n5c(cccc5)nc4)c(cn3)Cl)C(CC)=O	58
+FC(F)(F)CCN1CCN(CC1)c2ccc(cc2)-c3cccc4c3-c5nc(N)nc(-c6ccc(cc6)F)c5C4=O	183
+c1cc(ccc1N2CCN(CC2)Cc3cc(OC(F)F)c4OC(C(=O)Nc4c3)C)C(NC)=O	48
+C1CN(CCN1CCC#N)c2ccc(cc2)OC	987
+c1cc(ccc1N2CCN(CC2)C(=O)CCCc3c[nH]c4c3cccc4)OC	10
+c1cc(ccc1N2CCN(CC2)C(=O)NCCN(C)C)OC	6710
+c1cc(ccc1OC)N2CCN(CC2)c3ccc(cc3)[N+]([O-])=O	202
+C1CN(CCN1c2ccncc2)c3ccc(cc3)OC	264
+C1CN(CCN1c2ccc(cc2)OCCOC)CCN3C4N=C5N(N)C=NC(=C5N4N(C)C3=O)c6ccco6	236
+CC1(C)Cc2c(C)c(N3CCN(CC3)c4c(OC)cc(OC)cc4)c(c(C)c2O1)C	79
+C1CN(CCN1C(OCC(=O)OCC)=O)c2ccc(cn2)Br	2655
+C1CN(CCN1c2ccc3cc(OC)ccc3n2)CC4Oc5c(ccc6c5ccc(C)n6)OC4	2510
+c1cc(ccc1)-c2ccccc2CN3CCN(CC3)c4cc(ccc4)C	3910
+CC(C)(C)OC(N1CC(CC1C(N2CCN(CC2)c3nc(ccc3)C)=O)CCNC(=O)C=C)=O	10
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2nc(ccc2)C)CCCCNC(C=C)=O)=O	10
+C1CN(CCN1CCCCOc2ccc3c(c2)NC(CCC3(C)C)=O)c4c(Cl)c(ccc4)Cl	28
+C1CN(CCN1c2c(Cl)c(ccc2)Cl)CC#N	1321
+c1ccccc1-n2c3c(c(ncn3)NCCCN4CCN(CC4)c5cccc(Cl)c5Cl)nc2-c6ccccc6	61
+C1CN(CCN1c2cc(ccc2)[N+](=O)[O-])CCC(OCC)=O	1877
+C1CN(CCN1c2cc(ccc2)[N+](=O)[O-])C(=O)c3ccccc3	115
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(c2)Br	23
+C1CN(CCN1C(=O)c2c([nH]cc2)-c3ccccc3)c4cccc(C#N)c4	211
+C1CN(CCN1c2cc(Cl)ccc2)C(c3c(C)c4c(ncnc4s3)O)=O	867
+C1CN(CCN1c2cccc(Cl)c2)CCCC(=O)c3cc4CCC(Nc4cc3)=O	53
+C1CN(CCN1CCCNC(=O)OCc2ccccc2)c3cccc(Cl)c3	28
+C1CN(CCN1CCC2CC(Nc3ccccc23)=O)c4cccc5c4cc(cc5)OC	53
+C[Si](C)(C)CCOCn1c2nc(nc(O)c2cc1)N3CCN(CC3)c4c(F)cccc4	117
+C1CN(CCN1c2c(cccc2)F)C(c3c4ccc(Cl)cc4[nH]c3)=O	211
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(O)cccc2	23
+C1CN(CCN1C(OCC(=O)OCC)=O)c2cnc(Br)cc2	2655
+C1CN(CCN1C(c2cc(C=C3SC(N4CCSCC4)=NC3=O)ccc2)=O)c5cccc(n5)Cl	30
+C1CN(CCN1Cc2nccc(OC)n2)c3nc4N(CCCc4c(O)n3)C	566
+C1CN(CCN1Cc2ncc(cc2F)F)c3nc4N(CCCc4c(O)n3)C	1309
+c1ccccc1CC(=O)N2CCN(CC2)c3ccc(c(Nc4ccc(cc4)C(N5CCOCC5)=O)n3)C(=O)N	58
+c1cnccc1-c2cc3[nH]c4c(c3c(c2)OC)nc(N5CCNCC5)nc4OCC	6711
+C1CNCCN1c2nc3ccc(Cl)cc3c4n2nnn4	6712
+C1CN(CCN1C(Nc2nnccc2)=O)c3ccnc(n3)-c4c(F)c(ccc4)F	2076
+C1CN(CCN1Cc2ccc[nH]2)c3ncc(cc3)NC(c4cccc(c4-c5ccc(cc5)C(C)C)C)=O	315
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3ccc([N+]([O-])=O)cn3	115
+c1cc(ccc1F)-c2nc(n(CC(=O)N3CCN(CC3)c4cc(OC)ccn4)n2)-c5ccc(cc5)F	10
+C1COC2(O1)CCCC(C(N3CCN(CC3)c4ncccc4)=O)C2	10
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCN3CCN(CC3)c4ncccc4)OC)OC	183
+C1CN(CCN1c2ncccc2)Cc3cc4ccc(C)cc4cc3	171
+c1cc(ccc1CO)N2C=C(C(OCC)=O)C(c3cc(c(c(Cl)c23)N4CCN(CC4)c5ccccn5)F)=O	34
+C1CN(CCN1c2ncccc2C(OCC)=O)CC3Oc4c(OC3)ccc(c4)F	236
+CC(C)(C)OC(NC(Cc1ccc(c(F)c1)Cl)C(N2CCN(CC2)c3c4c(ncn3)CSC4CC)=O)=O	10
+FC(F)(F)c1ccc(cc1C(N2CCN(CC2)c3ccc4nc(C(=O)OCC)cn4n3)=O)F	115
+C1CN(CCN1c2nnc(C(NCCC3CC3)=O)cc2)C(c4ccccn4)=O	147
+c1cc(ccc1)C(=O)N2CCN(CC2)c3nnc(C(NCCC4CC4)=O)cc3	115
+C1CN(CCN1C(=O)C(c2c[nH]c3c(Cl)ncc(OC)c23)=O)c4nnnn4-c5ccccc5	3911
+C1CN(CCN1C(=O)C(c2c[nH]c3c(ncc(F)c23)Br)=O)c4nnnn4-c5ccccc5	3911
+C1CN(CCN1c2noc3c2cc(cc3)C)CCN4C=Nc5c(c6CCN(Cc6s5)C)C4=O	53
+C1CN(CCN1c2oc(nn2)C3CCC4N(C(=O)N3C4)OCc5ccccc5)C	1022
+O=S(=O)(c1cccs1)N2CCN(CC2)c3sc(cn3)C(OC)=O	1147
+C1CN(CCN1C(C(c2c[nH]c3c(ncc(F)c23)-c4[nH]nc(C(OCC)=O)c4)=O)=O)c5nnnn5-c6ccccc6	6713
+C1CN(CCN1C(C(c2c3c(F)cnc(-n4nc(C)cc4)c3[nH]c2)=O)=O)c5nnnn5-c6ccccc6	6714
+C1CNCCN1c2ccc(cc2)N3C4CN(CC4CC3)C	526
+c1cc(ccc1CCc2ncc(cc2)N3CCN(CC3)C(=O)C)CN=[N+]=[N-]	1298
+C1CN(CCN1C(=O)C)c2ccc(nc2)CCc3ccc(cc3)CCl	229
+c1cc(ccc1)N2CCN(CC2)C(C3N(CC(OC)CC3C(=O)NO)C(=O)OC)=O	909
+c1cc(ccc1Cl)-c2n(C)c3ccc(cc3c2CCC(=O)N4CCN(CC4)c5c(OC)cccc5)Cl	144
+C1CN(CCN1C(=O)CN2c3c(OC2=O)cc(cc3)C#N)c4ccc(Cl)c(c4)OC	6715
+c1cc(ccc1F)N2CCN(CC2)C(Cn3cc(C(OCC)=O)cn3)=O	1114
+FC(F)(F)C(F)(F)C(F)(F)c1nn(CC(N2CCN(CC2)c3ccc(cc3)F)=O)c(C)c1N	1114
+c1cc(ccc1-c2c(Cl)c(nn2CC(N3CCN(CC3)c4ccc(cc4)F)=O)SC)F	1114
+c1cc(ccc1F)N2CCN(CC2)C(Cn3nccc3)=O	1114
+C1CN(CCN1C(CN2c3c(OC2=O)cc(-c4ncon4)cc3)=O)c5ccc(Cl)c(c5)OC	3912
+C1CN(CCN1C(=O)CN2c3c(OC2=O)cc(C(N)=NO)cc3)c4ccc(Cl)c(c4)OC	253
+C1CN(CCN1C(=O)CN2c3c(OC2=O)cc(OCC(=O)O)cc3)c4ccc(Cl)c(c4)OC	3
+c1cc(ccc1)CN2CCN(CC2)C(=O)Nc3nccc(c3)Oc4cnc([N+](=O)[O-])cc4	2077
+C1CNCCN1C(=O)Nc2c(cccc2)C(OC)=O	25
+C1CN(CCN1)C2Cc3cc(ccc3Sc4ccccc24)C	215
+c1cc(ccc1F)C(N2CCN(CC2)C(C)C)CN3CCN(CC3)C(OCC)=O	1148
+c12c(nc(n1)N3CCNCC3)ccccc2	215
+C1CNCCN1c2scc(n2)-c3ccccc3F	62
+C1CN(CCN1C(OCC2N(C)CCOC2)=O)c3ccc(F)cc3F	2078
+C1CN(CCN1c2ncc(cc2C3CC3)C4CC4)C(c5ccc(cc5S(=O)(=O)C)N6C(=O)OCC6)=O	2663
+C1CN(CCN1C)Cc2ccc([N+](=O)[O-])c(c2)[N+](=O)[O-]	162
+c1cc(ccc1C(OC)=O)C(=O)N2CCN(CC2)c3c(cccn3)NC(C)C	2392
+C1CN(CCN1C(c2ccc(cc2)N)=O)C	0
+c1cc(ccc1)C(=O)N2CCN(CC2)c3cc(c(C(=O)O)cc3)NCc4ccccc4	208
+C1CN(CCN1C(=O)c2ccccc2)c3ccc(C(=O)O)c(N)c3	0
+c1cc(ccc1)CN2C(=O)C(=C(c3cc(F)cnc23)N4CCN(CC4)C(=O)c5cccs5)C(OCC)=O	6716
+C1CN(CCN1C(c2c3c(cc(cc3)Cl)n(c2)CCNS(=O)(=O)C)=O)c4c(cccc4)F	111
+C1CN(CCN1C(C(CCCC(O)=O)NC(=O)c2ccc(cc2)F)=O)C	4
+c1cc(ccc1F)C2CC2NC(CCCC(NC(=O)c3ccc(cc3)F)C(=O)N4CCN(CC4)C)=O	9
+c1cc(ccc1C2C(NC(=O)CCCC(NC(=O)c3ccc(cc3)F)C(N4CCN(CC4)C)=O)C2)OC	9
+C1CN(CCN1C(C(c2c[nH]c3c(ncc(F)c23)-c4cc(n[nH]4)C(=O)O)=O)=O)c5nnnn5-c6ccccc6	6
+C1CN(CCN1CC(c2ccc(cc2)F)C=3CCN(C)CC=3)CCCCc4cccc5ccccc45	6717
+C1CN(CCO1)c2nc(nc3ccc(CN4CCN(CC4)C(C)(C)C(N)=O)nc23)-c5cnc(N)cc5	6718
+C1CN(CCN1C(C)=O)C(c2cc(ccc2)-c3c4cc(-c5cc(c(nc5)OC)C#N)ccc4ncn3)=O	391
+C1CN(CCN1C(C)=O)CCCOc2cc3c(c(ncn3)Oc4ccc5[nH]ccc5c4F)cc2OC	185
+C1CN(CCN1Cc2c(c(ncc2)N)C)C(C)=O	2664
+C1CN(CCN1C(C)=O)c2cc(C)c(N)c(c2)N	0
+C1CN(CCN1C(=O)C)c2cc3c([nH]c(-c4c(c5ccccc5nc4Cl)Cl)n3)c(C)c2	1637
+CC(C)(C)OC(=O)NCCNC(c1cc(-c2sc(Nc3nccc(N4CCN(CC4)C(=O)C)c3)nc2)cnc1)=O	56
+C1CNCCN1c2cc(c(NS(=O)(=O)C)cc2)C	526
+C1CN(CCN1C(C)=O)c2c(c(OC)c([N+](=O)[O-])cc2)OC	57
+C1CN(CCN1c2cc(C#N)c(cc2)Nc3nc(-c4n5c(cccc5)nc4)c(Cl)cn3)C(C)=O	55
+C1CN(CCN1c2cc(OC)c(cc2)Nc3nc(-c4n5c(cccc5)nc4)c(cn3)Cl)C(C)=O	55
+C1CN(CCN1C(C)=O)c2cnc(N)cc2	161
+FC(F)(F)c1cc(CC(Nc2ncc(N3CCN(CC3)C(C)=O)cc2)=O)ccc1Br	142
+FC(F)(F)c1c(-c2ccnc(c2)C)ncc(CC(Nc3ncc(N4CCN(CC4)C(C)=O)cc3)=O)c1	6719
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)I)=O	142
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(Nc3ncc(N4CCN(CC4)C(C)=O)cc3)=O	372
+c1cc(ccc1Nc2c3nccn3c(cn2)Br)N4CCN(CC4)C(C)C	1638
+C1CN(CCN1C(C23CCC4(C5(C)CCC6C(CCC(O)C6(C)C)(C5CCC4C2C(C(C)=C)CC3)C)C)=O)CC	59
+C1CC1CN2CCN(CC2)c3c(OC)ccc(N)c3	15
+C1CN(CCN1C(C2CCOCC2)=O)Cc3ccc4CN(CCc4c3)C(=O)COc5cnccc5	10
+C1CN(CCN1C)C(=O)CCc2cccc(c2)O	1320
+C1CN(CCN1C(c2cc(F)c(c(F)c2)F)=O)C(=O)CC(=O)O	3
+C1CN(CCN1C2CCC2)C(=O)CN3CCc4nc(O)ccc4C3	224
+C1CN(CCN1C(=O)CN2c3c(cc(cc3)OCC(OCC)=O)OC2=O)c4ccc(Cl)c(c4)OC	1845
+C1CN(CCN1)C(=O)CNC(=O)c2ccc(cc2)Oc3ccccc3	25
+C1CN(CCN1C(COC)=O)c2c3c(c(Cl)cc2C(N)C)cccn3	1354
+C1CN(CCN1C(COc2ccc(cc2)Cl)=O)C(C=3N(c4ccccc4OCC)C(=O)c5ccc(N)cc5N=3)C	0
+C1CN(CCN1C(COc2ccc(cc2)Cl)=O)C(C=3N(C(c4ccc(cc4N=3)NC(=O)C)=O)c5ccccc5OCC)C	125
+FC(F)(F)c1ccc(cc1)-c2cnc(N3CCN(CC3)C(OCC(OCC)=O)=O)cc2	89
+FC(F)(F)c1cc(-c2ccc(cn2)N3CCN(CC3)C(OCC(=O)OCC)=O)ccc1	119
+C1CN(CCN1C(OCC(NC)=O)=O)c2cnc(Br)cc2	271
+C1CN(CCN1C(OCC(C)C)=O)c2c3c(nc(-c4c(O)cccc4)n2)ccs3	5
+CC(C)Cc1ccc(N2CCN(CC2)C(OCC(NC)=O)=O)cn1	6720
+C1CN(CCN1c2ncc(cc2)N)C(OCC(NC)=O)=O	13
+C1CNCCN1C2c3cc(SC)ccc3Sc4c(ccc(OC)c4)C2	215
+C1CN(CCN1)CCCCCCCCCC	215
+C1CN(CCN1)CCCCCCCCCCCCCCC	215
+C1CN(CCN1C(=O)CN)C(OCCCC)=O	334
+c1cc(ccc1)COC(N2CCN(CC2)C(C(NC(c3cc4ccccc4s3)=O)CC(C)C)=O)=O	1816
+C1CC1C(=O)N2CCNCC2	62
+C1CN(CCN1)CC2CN(CCC2)CCCc3ccc(cc3)S(=O)(=O)C	62
+C1CN(CCN1c2c(cc([N+](=O)[O-])c(c2)NC(=O)c3ccc(cc3)OC)Cl)C(c4c(C)onc4-c5ccccc5OC)=O	50
+c1cc(ccc1)-c2ncc(NC(CC(=O)N3CCN(CC3)C(c4cc(F)c(c(F)c4)F)=O)=O)cc2	6721
+C1CN(CCN1C)C(=O)c2ccc(cc2)NC(=O)Nc3ccc(cc3)Br	124
+C1CN(CCN1C(c2ccc(cc2)Nc3nc(-c4ccc(F)cc4F)ccc3C(=O)N)=O)C	140
+c1cc(ccc1)C(N2CCN(CC2)CC(O)=O)=O	3
+C1CN(CCN1C=2c3c(cccc3)N(C(=O)C=2C#N)c4ccccc4)C(c5cccs5)=O	6722
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)C	17
+C1CC(CCC1)C(=O)N(CC2=Cc3ccccc3N(C)C2=O)CC4(N5CCN(CC5)C)COCCCC4	2614
+C1CN(CCN1C)C2CCC(CC2)n3cc(I)c4c3ncnc4N	869
+C1CN(CCN1C)C2CCC(CC2)n3c4ncnc(N)c4c(-c5c(cc(cc5)Oc6ccccc6)C)c3	1311
+c1nc(ncc1Br)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C	55
+C1CN(CCN1C)CC#Cc2cc3c(c(cnc3s2)C#N)Nc4cc(c(Cl)cc4Cl)OC	1990
+C1CN(CCN1CC(NN)=O)C	561
+C1CN(CCN1C)CC(OC)CNC(c2ccc(c3c2CCO3)Nc4nc5c(cn4)N(C)C(C(CC)N5C(C)C)=O)=O	14
+FC(F)(F)c1ccc(cc1)OC(c2ccccc2)CN3CCN(CC3)C	20
+C1CN(CCN1CCC2CC(CCC2(C3C(C4C(C(=C)CC4)(CC3)C)OC(=O)C)C)O)C	59
+Clc1cccc(Cl)c1-c2cc3c(nc(nc3)NCCCN4CCN(CC4)C)nc2N	6723
+C1CN(CCN1C)CCCNC(c2cc(Br)ccc2)=O	93
+c1cc(ccc1NCCCN2CCN(CC2)C)[N+](=O)[O-]	60
+c1cnccc1NC(c2cc(Nc3cccc(c3)C(NCCCN4CCN(CC4)C)=O)ccc2)=O	230
+c1cc(ccc1C)S(=O)(=O)OCCCN2CCN(CC2)C	36
+C1CN(CCN1C)CCCOc2ccccc2Nc3c4c(n(cn4)C5CCCC5)nc(C#N)n3	738
+C1CN(CCN1C)CCCc2c3CCCCc3[nH]c2C=C4C(=O)Nc5ccc(cc45)S(=O)(=O)CC	6724
+C1CN(CCN1C)CCNCc2c(N)ncc(c2)Br	249
+CC(C)(C)OC(=O)C=Cc1cnc2NC(=O)N(Cc2c1)CCN3CCN(CC3)C	1953
+C1CN(CCN1C)CCN2C(=O)Nc3ncc(Br)cc3C2	6725
+FC(F)(F)c1ccc(Cn2c3cccc(c3cn2)NC(=O)c4cnc5cc(OCCN6CCN(CC6)C)ccn45)nc1	466
+C1CN(CCN1Cc2ccc(N)c([N+](=O)[O-])c2)C	0
+C1CN(CCN1C)S(=O)(=O)c2cc(cs2)-c3c(nc(N)s3)C	1176
+C1CN(CCN1Cc2c(ccc(N)c2)N3CCN(CC3)C)C	0
+C1CC1N2c3c(cc(c(N4CCN(CC4)C)c3)F)C(=CC2=O)CO	6726
+O=S(=O)(Cc1c([N+](=O)[O-])c(N2CCN(CC2)C)cc(Cl)c1)c3ccc(cc3)F	1177
+C1CN(CCN1C)c2c3nc(-c4[nH]nc5c4ccc(Br)c5)[nH]c3ccc2	567
+CC(C)(C)OC(N1CCN(C(C)C1)c2ncc(c(OCCN3CCOCC3)c2)Br)=O	6727
+C1CN(CCN1C)c2cccc3OCC(Cc23)NC(=O)c4ccc(cc4)N5CCN(CC5)C(=O)C	58
+C1CN(CCN1c2nc(N)nc(N3Cc4c(ccc(Br)c4)CC3)c2)C	54
+c1cc(ccc1CNc2nc(F)cc(N3CCN(CC3)C)c2)OC	182
+C1CN(CCN1C)c2cc3c(cc2F)NC(=S)N3	1357
+FC(F)(F)C1(CC1)C(=O)NCc2cc(Nc3nc4c(cc(c(Cl)c4)N5CCN(CC5)C)n3C)c(cc2)Cl	1023
+CC(C)(C)OC(Nc1cccc(N2C(C(=Cc3c2nc(Nc4ccc(N5CCN(CC5)C)cc4OC)nc3)CC)=O)c1)=O	2607
+C1CN(CCN1C)c2ccc(Nc3nc4c(cccc4Br)cn3)c(OC)c2	744
+C1CN(CCN1C)c2cc3c(c(c2)F)C(=O)OC(Cc4ccc5OCOc5c4)=N3	2665
+C1CN(CCN1C)c2ccc(c(-c3ccccc3F)c2)NC(c4oc(cc4)C#N)=O	6728
+C1CN(CCN1c2ncc([N+]([O-])=O)c(Cl)c2)C	120
+c1c(F)cc(cc1Cc2ccc3c(c(NC(=O)c4c(cc(N5CCN(CC5)C)cc4)[N+]([O-])=O)[nH]n3)c2)F	394
+C1CN(CCN1c2cc(N3CCCC(F)C3)c(cc2)N)C	0
+C1CN(CCN1c2cc(cc(c2)Cl)C(=O)O)C	329
+c1nc(ncc1C#Cc2cccc(NC(=O)Nc3cc(cc(F)c3)N4CCN(CC4)C)c2)N	446
+CC1(C)OB(OC1(C)C)c2cccc(N3CCN(CC3)C)c2	2666
+c1cc(ccc1-c2ccc(nc2)N3CCc4ccc(cc4C3)-c5nc(N)nc(N6CCN(CC6)C)c5)C#N	361
+C1CN(CCN1C)c2cc3c(c(c2)C#N)N=CN(c4cc(ccc4C)C(=O)Nc5ccon5)C3=O	650
+C1CN(CCN1C)c2cc3c(c(c2)C#N)N=CN(C3=O)c4c(C)ccc(C(O)=O)c4	1
+c1cc(ccc1)-c2cc3c4ccc(N5CCN(CC5)C)cc4[nH]c3c(c2)C(=O)N	11
+FC(F)(F)COc1ccnc(CSc2nc3cc(N4CCN(CC4)C)c(F)cc3[nH]2)c1C	602
+O=S(=O)(Nc1cc(N2CCN(CC2)C)ccc1Br)c3ccc4ccccc4c3	69
+C1CN(CCN1C)c2ccc(c(OC)c2)Nc3ncc4cccc(-c5cccc(N)c5)c4n3	3738
+C1CN(CCN1C)c2cc(c([N+](=O)[O-])cc2)-c3ccccc3F	11
+C1CN(CCN1c2ccc(c(c2)CS(=O)(=O)c3cccc4ccccc34)N)C	0
+C1CN(CCN1C)c2ccc(cc2C=C)Nc3ncc(c(n3)Nc4c(N(S(=O)(=O)C)C)ccc(Br)c4)Cl	55
+C1CN(CCN1C)c2ncc(cc2)C(=O)NCc3ccccc3	56
+C1CN(CCN1C)c2ccc3c(c2)C(=O)N(C=C3)c4c(C)ccc(C(O)=O)c4	1
+C1CN(CCN1C)c2ccc3c(c2)c(c(C#N)c(n3)N)Cl	120
+C1CN(CCN1c2cc3c(NCc4ccccc4)c(c(N)nc3cc2)C#N)C	105
+C1CN(CCN1C)c2cccc3OCC(Cc23)NC(=O)c4ccc(cc4)N5CCN(CC5)Cc6ccccc6	14
+C1CN(CCN1C)c2c3CC(COc3ccc2)NC(=O)c4ccc(cc4)N5CCNCC5	25
+C1CN(CCN1C)c2cc(nc(N)n2)N3Cc4cc(-c5cc6N(C(COc6cc5)=O)C)ccc4CC3C	99
+C1CN(CCN1c2cc3n(c(CC)n2)c(CC)nn3)C	6729
+C1CN(CCN1C)c2nc3c(C(C(C(OCC)=O)=CN3CCCl)=O)cn2	1307
+C1CN(CCN1C)c2ccc(cn2)C(O)=O	1
+C1CN(CCN1C=2c3c(Nc4ccc(cc4N=2)CN)sc(c3)C)C	107
+C1CN(CCN1C2CC(C2)c3n4ccnc(N)c4c(n3)I)C(=O)C	522
+C1CN(CCN1C)C2CC(C2)c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4F)c7n3ccnc7N	6730
+O=S(=O)(C)c1cccc(-c2sc3CN(CC(N4CCN(CC4)C5CCC5)=O)CCc3n2)c1	1241
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CCN(CC3)C4CCCC4	372
+C1N(CC1N2CCN(CC2)C(=O)c3sccn3)C(=O)c4cc5CCN(c6ccc(cc6)F)c5cc4	30
+c1cc(ccc1C(N2CC(C2)N3CCN(CC3)C(=O)c4sccn4)=O)Oc5ccccn5	30
+C1CN(CCN1C2COC2)c3c(F)cc(cc3)Nc4nc(ncn4)-c5cc(C#N)c(OC6CCOCC6)cc5	2079
+C1CN(CCN1C2COC2)c3ccc(N)cc3F	0
+C1CN(CCN1C2COC2)c3c(F)cc(Nc4nc(Cl)ncn4)cc3	360
+c1cc(ccc1N2CCN(CC2)C3COC3)Nc4nc(Cl)ncn4	360
+C1CN(CCN1)C2c3c(ccc(C)c3)Oc4ccc(C)cc4C2	215
+C1CN(CCN1C=2c3c(Nc4c(cc(cc4)CNC(=O)CCC(O)=O)N=2)sc(c3)C)C	4
+C1CN(CCN1C2c3c(ccc(C)c3)Oc4c(cc(cc4)C)C2)C(OCC)=O	6731
+C1CN(CCN1CC#CC(=O)Nc2cc3c(ncnc3cc2)Nc4cc(ccc4)Br)CC	2355
+C1CN(CCN1CCN)Cc2n(CCOCC)c3ncccc3n2	51
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)C(CN3CCN(CC3)Cc4ccccc4)=O)=O	10
+C1CN(CCN1CC(O)c2cc(c(OC)cc2)OC)C=3C(C=CC=CC=3)=O	74
+C1CN(CCN1c2cccc3nc(C)ccc23)CC(C)c4cc(NC(=O)c5c(F)cccc5)ccc4	67
+C1CN(CCN1CC(O)CN)C	102
+C1CN(CCN1CC(COc2cc3ncnc(O)c3cc2OC)OC(=O)C)C	152
+C1CN(CCN1CC(COc2cc3ncnc(Cl)c3cc2OC)OC(=O)C)C	569
+CN(C)C(CN1CCN(CC1)c2cc(OC)c(cc2N)Nc3nc(-c4c5n(nc4)cccc5)c(cn3)Cl)=O	0
+C1CN(CCN1CC2CO2)C(C3CCCO3)=O	2080
+C1CN(CCN1CC(O)CNC(=O)c2ccc(c3OCCc23)Nc4nc5c(cn4)N(C)C(C(CC)N5C(C)C)=O)C	14
+C1CN(CCN1CC(c2ccc(cc2)OC)O)c3nc(-c4ccc(cc4)Cl)ns3	74
+c1cc(ccc1C(F)CN2CCN(CC2)c3nc(-c4ccc(cc4)Cl)ns3)OC	3913
+C1CN(CCN1CC#CC(O)=O)CC	3914
+C1CN(CCN1CC)CC(=O)Nc2nccc(c2)Oc3cc(N)c(NC)cc3	0
+C1CN(CCN1CC)Cc2c(cc(C(=O)O)cc2)C	1
+C1CN(CCN1CC)S(=O)(=O)c2cnc(OCC)c(C3Nc4c(n(Cc5ccccn5)nc4C(=O)N3)CC)c2	6732
+C1CN(CCN1S(=O)(=O)c2cnc(c(C(=O)OCC)c2)OCC)CC	91
+C1CN(CCN1CC)c2cccc(Cl)c2CO	41
+C1CN(CCN1CC)c2cccc(Cl)c2CSc3nc(cc(n3)C)O	2667
+C1CN(CCN1CC)c2cc(C#N)c3c(C(N(c4cc(ccc4C)C(=O)Nc5ccon5)C=N3)=O)c2	650
+C1CN(CCN1CC)c2cc(C#N)c3c(C(N(C=N3)c4c(C)ccc(C(O)=O)c4)=O)c2	1
+C1CN(CCN1CC)c2cc(C)c3c(n2)ccc(c3)N	0
+C1CN(CCN1CC)c2nc3c(cc(cc3)[N+](=O)[O-])c(C)c2	31
+C1CN(CCN1c2nccc(N)c2)CC	0
+C1CN(CCN1c2cc(ccc2OC(C)C)F)CCCN	51
+C1CN(CCN1CCCN)c2ccc(cc2)OC	51
+C1CN(CCN1c2ccccc2OC)CCCN	51
+c1cc(ccc1)C(C(O)C2CCCCC2)CCN3CCN(CC3)c4ccccc4OC	100
+C1CCC(C1)(CN2C(=O)CCC2)CCN3CCNCC3	25
+C1CC(CCC1)CN2C(CCN3CCN(CC3)c4cc(N)ccc4)=NNC2=O	0
+C1CC(CCC1)CN2C(CCN3CCN(CC3)c4cc(ccc4)[N+](=O)[O-])=NN(C2=O)C	2668
+C1CN(CCN1CCC2C(C3CCC4(C(CCC4=C)C3O)C)(CCC(O)C2)C)C	59
+C1CN(CCN1c2cccc(Cl)c2)CCC=Cc3ccc4c(c3)CCC(N4)=O	1358
+C1CN(CCN1c2ccc(cc2)OCCF)CCCCc3c4c([nH]c3)cccc4	267
+C1CN(CCN1CCCCc2c3c([nH]c2)cccc3)c4ccc(cc4)O	5
+c1cc(ccc1CC#N)NCCCN2CCN(CC2)C=O	1350
+C1CNCCN1CCCNC(C2CCCCC2)=O	25
+C1CN(CCN1C(C)=O)CCCOc2cc3c(cc2OC)c(Cl)ncn3	126
+C1CN(CCN1CCCO)CCNCCCCCCC	15
+C1CN(CCN1CCCO)CCN(CCCCCCC)C(=O)Nc2c(cc(nc2SC)C)SC	437
+c1ccccc1C(=O)Nc2sc3cc(ccc3n2)Nc4c5c(cc(OC)c(c5)OCCCN6CCN(CC6)C)ncn4	73
+C1CN(CCN1CCCOc2ccc(c(N)c2)[N+]([O-])=O)C	3915
+C1CN(CCN1C)CCCOc2ccc(c(N)c2)N	0
+C1CN(CCN1CCCOc2ccc(cc2)-c3c(Cl)cc4c(c(C(O)=O)c[nH]4)c3)C	1
+C1CN(CCN1CCF)c2cnc(cc2)NC3=CC(=CN(C3=O)C)Br	523
+C1CN(CCN1CCF)c2ccc(N)nc2	161
+C1CN(CCN1CCN=C=S)Cc2n(CCOCC)c3ncccc3n2	985
+CC(C)(C)n1nc(cc1CC(C)C)CNCCN2CCN(CC2)c3c(C)cc(C)cc3	294
+C1CN(CCN1Cc2n(CCOCC)c3ncccc3n2)CCNC(=S)Nc4cnccc4N	3902
+CC(C)(C)OC(=O)N(CCCCCCC)CCN1CCN(CC1)CCO	23
+C1CN(CCN1CCO)C2Cc3ccc(N)c(OC)c3CCC2	0
+C1CN(CCN1CCO)CCCN2C(Nc3c2nc(OCCCC)nc3N)=O	1604
+CC(C)(C)[Si](C)(C)OCCN1CCN(CC1)c2cc(nc(C)n2)Cl	19
+c1cc(ccc1N2CCN(CC2)CCCl)[N+]([O-])=O	1518
+C1CN(CCN1c2cncc(NC(NCC)=O)n2)CCOC(Nc3c(cccc3)OCC)=O	589
+CC(C)[Si](C(C)C)(C(C)C)OCCN1CCN(CC1)c2nnc3ccc(F)cn23	655
+C1CN(CCN1CC(=O)O)CCOc2c(cc3c(c(Nc4cc(ccc4)Br)ncn3)c2)OC	3
+C1CN(CCN1CCOc2ccc3OCC(N(C)c3c2)=O)c4c5c(nc(cc5)C)ccc4	239
+C1CN(CCN1c2nsc3c2cccc3)CCc4c(cccc4)N	0
+C1CN(CCN1CCc2ccc(cc2)Cl)C(c3ccc(cc3)NC(=O)C=C)=O	6733
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+c1cc(ccc1NC(=O)c2cn(nc2N)-c3nc(ccn3)-c4ccc(cc4)N(C)C)CCN5CCN(CC5)C	3737
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+C1CN(CCO1)CCc2cn(CC)c3cc(cc(O)c23)F	15
+C1CN(CCO1)C(=O)N2CCN(CCC2)c3nc(N)c4c(n3)cc(OC)c(O)c4	16
+FC(F)(F)c1c(NC)nc(nc1)Nc2c(cc(C(=O)N3CCOCC3)c(C)c2)Cl	55
+FC(F)(F)c1ccc(Nc2c3ccn(C)c3c(cn2)C(=O)N4CCOCC4)c(C)c1	1504
+C1CN(CCO1)C(=O)c2c(cc(N)c(Cl)c2)C	0
+C1CN(CCO1)Cc2ccc(-c3cc(-c4nnn(c4)C(C)C)c(nc3)N)cc2C	162
+C1CN(CCO1)C(=O)c2sc(cc2)-c3nc(ncc3)S(=O)(=O)C	528
+C1CN(CCO1)Cc2ccc(cc2)-c3[nH]c4ncc(c(c4n3)I)Cl	162
+C1CN(CCO1)C(=O)c2ccc(cc2)N=C3C(=O)N(C=C(N3)c4cccc(c4C)N)C	6754
+c1cc(ccc1Nc2c3n(ccn3)cc(-c4cc(C(=O)O)ccc4)n2)C(N5CCOCC5)=O	356
+C1COCCN1C(=O)c2c(c3c(cc(c(c3)O)O)s2)CBr	5
+CC1(C)Cc2[nH]nc(-c3cc4c(cc(N(C)C(=O)C(C)N5CCOCC5)cc4)[nH]3)c2CC1	429
+C1CN(CCO1)C(C2CN(c3c4ccccc4nc(NCc5ccccc5Sc6ccccc6CO)n3)CCC2)=O	798
+C1CN(CCO1)C(=O)CCc2ccc(c(c2)-c3nc(O)c4c(nn(CCC)c4n3)C)OCCC	1320
+CC(C)CNCC(=O)N1CCOCC1	1229
+C1CN(CCO1)C(COc2cc(ccc2)N)=O	0
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(nc4ccccc34)-c5cc(ccc5)NC(N6CCOCC6)=O)c2	2083
+CC(C)(C)OC(NCCNC(=O)N1CCOCC1)=O	2675
+C1COCCN1C(=O)Oc2c(cccc2OCC=C)C(=O)C	2047
+C1CN(CCO1)C(NC2CCCC(Nc3nc(ncc3F)-c4cn(c5ncc(cc45)F)S(=O)(=O)c6ccc(cc6)C)C2)=O	2675
+C1CN(CCO1)C(Cn2c(Br)c(c3ccc(C(=O)O)cc23)C4CCCCC4)=O	1
+C1CN(CCO1)C(Cn2c(-c3ccc(cc3)C(=O)C)c(c4c2cc(cc4)C(O)=O)C5CCCCC5)=O	2549
+C1CN(CCO1)C(=O)N2CCN(CCC2)c3nc(N)c4c(cc(c(OCc5ccccc5)c4)OC)n3	549
+C1CN(CCO1)C(NC2CCCC(Nc3c(cnc(n3)-c4c[nH]c5ncc(cc45)F)F)C2)=O	392
+FC(F)(F)c1c(NC2CC2)nc(Nc3cc(c(cc3O)C(N4CCOCC4)=O)F)nc1	55
+C1CN(CCO1)C(=O)c2sc3c(cc(c(c3)O)OC)c2CBr	5
+C1CN(CCO1)C(c2c(F)cc(c(O)c2)N)=O	5
+C1CN(CCO1)C(c2cccc(c2)-c3cc4c(c[nH]c4nc3)I)=O	1361
+c1cc(ccc1S(=O)(=O)n2cc(I)c3c2ncc(-c4cccc(c4)C(=O)N5CCOCC5)c3)C	276
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(Cl)cc(cc2)Cl)=O)N3CCOCC3	93
+C1COCCN1C2CCN(CC2F)c3cccc(-c4n(C)c5ccccc5n4)c3	79
+C1CN(CCC1N2CCOCC2)C(c3ccc(-c4ccnc(c4C#Cc5ccc(N)nc5)CC)cc3Cl)=O	30
+C[Si](C)(C)c1c(c(C=O)c(cc1F)Cl)F	3921
+O=Cc1c(F)cc(C)cc1Cl	3921
+c1cc(ccc1-c2cc(F)c(C=3[Se]C(C=O)=CC=3)cc2)CC	3606
+CC(C)(NC(Cn1c(cc(-c2cnn[nH]2)n1)Cc3ccc(cc3)F)=O)CN4CCOCC4	6755
+c1cc(ccc1-c2ccc(cc2)C(OCC)=O)C(N(C)C(=O)CN3C(COc4cc(c(Cl)cc34)Cl)=O)CN5CCOCC5	10
+FC(F)(F)c1cc(cc(NC(=O)C)c1)CCCN2CCOCC2	2676
+C1CN(CCO1)CCC(c2cc(-c3ccnc(c3)N)ccc2)=O	6756
+C1CN(CCO1)CCCCCCCCCCCCN	3922
+C1CN(CCO1)CCCCCCCCN	3922
+CC(C)(C)C1N2C(c3cc(OC)c(OCCCN4CCOCC4)cc3C1)=CC(=O)C(C(OCC)=O)=C2	72
+C1CN(CCO1)CCCOc2c(cccc2OC)C=O	72
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)OCCCN3CCOCC3	72
+C1COCCN1CCCNC(=O)c2cccc(-c3cc(-c4cc(C)c(cc4)O)nc(O)n3)c2	14
+C1CN(CCO1)CCCNc2nc3cc4c(cc3[n+]([O-])n2)OCCC4	1888
+c1c(Cl)c(c(cc1)Cl)Cc2n(c3ccccc3n2)Cc4ccc(cc4)C(NCCCN5CCOCC5)=O	14
+C1CN(CCO1)CCCNC(Nc2snc(-c3ccc(cc3)[N+](=O)[O-])c2C#N)=O	238
+c1cc(ccc1-c2c(C)ccc(NC(=O)c3ccoc3)c2)C(=O)NCCCN4CCOCC4	14
+C1COCCN1CCCN(C)Cc2ccc(c(Nc3sc(c(-c4cccc(c4)Cl)n3)C(N)=O)c2)[N+]([O-])=O	48
+C1CN(CCO1)CCCNC(Nc2snc(c2C(=O)N)-c3ccc(cc3)N)=O	0
+C1CN(CCO1)CCCNC(Nc2c(c(-c3ccc(cc3)[N+](=O)[O-])ns2)C(=O)N)=O	1856
+FC(F)(F)c1cc(c(cc1)F)NC(=O)Nc2ccc(cc2)-c3nsc(c3C(=O)N)NC(=O)NCCCN4CCOCC4	124
+C1CN(CCO1)CCCNC2=NN(C=3C(=CC4=C(OCCC4)C=3)[N+]2=O)[O-]	6757
+C1CN(CCO1)CCCOc2cc3ccc(C#C)cc3cc2	20
+c1cc(ccc1C)S(=O)(=O)OCCCN2CCOCC2	36
+c1ccccc1COc2ccc(cc2)-c3cc(nnc3CCCC)OCCCN4CCOCC4	485
+c1ccccc1CCNCc2c(OCCCN3CCOCC3)c(OC)ccc2	1172
+C1CN(CCO1)CCCOc2c(cc3c(c2)ncnc3N(c4ccc(F)c(c4)Cl)C(C)=O)N	0
+C1CN(CCO1)CCCOc2c(C=NCCc3ccccc3)cccc2OC	853
+C1CN(CCO1)CCCOc2c(ccc(C)c2)O	5
+C1CN(CCO1)CCCOc2cc(c(cc2)C)N	0
+C1COCCN1CCCOc2cc3c(c(Oc4cc(n[nH]4)-c5cc(c(cc5)OC)OC)ncn3)cc2OC	6758
+C1CN(CCO1)CCCOc2c([N+]([O-])=O)cc3c(N(C(C)=O)c4ccc(F)c(c4)Cl)ncnc3c2	3292
+C1CN(CCO1)CCCOc2c(c(c(cc2)C3=NCCN3)N)OC	3923
+C1CN(CCO1)CCCOc2ccc(C#N)c(N)c2OC	0
+C[Si](C)(C)c1nn(-c2ccc(cc2)OCCN3CCOCC3)c(C(=O)OCC)c1	72
+C1CN(CCO1)CCn2c3cc(Cl)ccc3cc2C	1277
+O=S1(=O)CCCN1c2ccc(cc2)-c3c(c4c(cc(OCCN5CCOCC5)cc4)n3CC)C#N	72
+C1COCCN1CCn2c(C)cc3cccnc23	3924
+C1CN(CCO1)CCOc2ccc([N+](=O)[O-])c3ccccc23	72
+C1CN(CCO1)CCOc2c(ccc([N+]([O-])=O)c2)OC	72
+c1cc(ccc1-c2cn3c4c(sc3n2)cc(cc4)OCCN5CCOCC5)[N+](=O)[O-]	72
+C1CN(CCO1)CCCn2ccc3c(N)cccc23	0
+C1COCCN1c2nc3sc4c(ncnc4NCCN5CCOCC5)c3c6CC(C)(C)N(Cc26)C	3925
+CC(C)(C)ON=C1c2c(OC(=C1)c3ncn4c(c3)ccc4)ccc(c2)C(=O)NCCN5CCOCC5	14
+C1CN(CCO1)CCN2CC(OC2=O)CO	6759
+C1CN(CCO1)CCNc2ncc3ncc(c(c3c2)Nc4cccc(C(C)C)c4)C#N	182
+C1CN(CCO1)CCNC(=O)Nc2ccc3c(c2)ccc(n3)NC4CCc5c4cccc5	675
+O=S(=O)(c1c[nH]c(C(=O)c2c(nccc2)Cl)c1)NCCN3CCOCC3	1362
+C1COCCN1CCNC(=O)c2cc(c([nH]2)C=O)C	81
+C1CN(CCO1)CCNC(c2cccc3cc(ccc23)O)=O	14
+C1CN(CCO1)CCNc2c3c(c(ccc3)-c4c(cc(cc4C)C)C)nc(C)c2	105
+c1cc(ccc1Nc2nc3c(C=C(c4c(cccc4Cl)Cl)C(N3C)=O)c(N)n2)NCCN5CCOCC5	250
+C1CN(CCO1)CCNC(=O)c2c(Nc3ccc(I)cc3F)cnc(Br)c2	14
+C1CN(CCO1)CCNc2nccn3c(cnc23)-c4nc(ccc4)Br	3926
+C1CN(CCO1)CCNC(=O)Nc2nc3c(cc(cc3)SC#N)s2	238
+c1cc(ccc1OCCNCCN2CCOCC2)Cc3ccc(cc3)-c4occn4	1918
+C1CN(CCO1)CCNC2=C(c3ccccc3)S(=O)(=O)N(CCCC)C2=O	1904
+c1nc(ncc1Br)NCCN2CCOCC2	96
+C1CN(CCO1)CCNc2ncc(cn2)NC(c3cc(ccc3C)[N+]([O-])=O)=O	6760
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CC4OC(N(CCN5CCOCC5)C4)=O	6761
+C1CN(CCO1)CCN2C(OC(COS(=O)(=O)c3ccc(cc3)C)C2)=O	6762
+C1CN(CCO1)CCNc2nc3cnc4c(c3n2C(C)COC)cc(OC)c(-c5c(noc5C)C)c4	6763
+C1CN(CCO1)CCNC(=O)Nc2nc3ccc(S)cc3s2	1180
+C1CN(CCO1)CCNC(=O)c2ccc3cc([nH]c3c2)C(=O)N4c5c(ccc([N+](=O)[O-])c5)C(CCl)C4	2677
+C1CN(CCO1)CCNC(c2cccc3c2ccc(Oc4nc(ncc4)Cl)c3)=O	185
+C1CN(CCO1)CCNc2c(cccc2C=O)F	39
+CC(C)(C)CCN=Cc1c(NCCN2CCOCC2)c(ccc1)F	853
+C1CN(CCO1)CCNc2c(CO)cccc2F	98
+CC(C)(C)OC(=O)NCCC(c1ccccc1)Nc2nccc(n2)-c3n[nH]c4nc(NCCN5CCOCC5)ncc34	435
+CC(C)(C)c1cc(no1)NC(Nc2ccc(cc2)-c3c4cnc(nc4n(C)n3)NCCN5CCOCC5)=O	446
+C1CN(CCO1)CCNc2ncc(cn2)C#Cc3c(C)ncc(c3)NC(c4cc(ccc4)C(C#N)C)=O	487
+C1CN(CCO1)CCNc2nc3n(C)nc(c3cn2)-c4ccc(cc4)N	6764
+CC(C)(C)OC(NCCC(c1cc(Cl)ccc1)Nc2nc(-c3n4ccnc(c4nc3)NCCN5CCOCC5)ccc2)=O	340
+c1cc(ccc1C(N)=O)C(=O)C=Cc2cc(-c3cccs3)c(OC)cc2OCCN4CCOCC4	307
+c1c(C)c(c(cc1-c2nc(O)c3c(OC)cc(OC)cc3n2)C)OCCN4CCOCC4	748
+C1CN(CCO1)CCOc2cc(ccc2O)[N+](=O)[O-]	5
+C1CN(CCO1)CCOc2c3ccccc3c(NC(c4cc(-c5ccc(cc5C)F)ccc4)=O)cc2	11
+C1CN(CCO1)CCOc2c3ccccc3c(NC(c4cc(-c5c(cccc5)F)ccc4)=O)cc2	11
+C1CN(CCO1)CCOc2c(O)ccc(N)c2	0
+CC(C)(C)OC(N1CC(N(c2cc(OCCN3CCOCC3)ccn2)CC1)C)=O	43
+C1CN(CCO1)CCOc2c(cc3c(c(Nc4c(cc(Cl)c(OC)c4)Cl)c(cn3)C#N)c2)F	179
+C1CN(CCO1)CCOc2ccc(NC(=O)c3cccc(c3)OC)cc2-c4ccnn4C	50
+C1CN(CCO1)CCOc2ccc(c3c2cccc3)N	0
+C1CN(CCO1)CCOc2ccc(N)cc2-c3n(C)ncc3	0
+CC(C)(C)c1cc(c(c(c1)NC(C(=O)c2c3ccccc3c(cc2)OCCN4CCOCC4)=O)OC)Cl	2678
+C1CN(CCO1)CCOc2c3ccccc3c(NC(c4cccc(Br)c4)=O)cc2	67
+C1CN(CCC1O)c2cc(C(=O)Nc3ccc(c4ccccc34)OCCN5CCOCC5)ccn2	43
+C1CN(CCO1)CCc2cc(ccc2N)C	0
+C1COCCN1CCn2c(C)c(c3ccc(cc23)Cl)C(=O)c4c5c(cccc5)c(cc4)C	787
+C1CN(CCO1)Cc2[nH]c3cccc4C5CC(CN(C#N)C5Cc2c34)COC	21
+C1CN(CCO1)Cc2[nH]c3c4c(C5CC(CO)CN(C#N)C5Cc24)ccc3	88
+C1CN(CCO1)Cc2cc(ccc2)-c3cncc4cc(oc34)C=C5C(=O)NC(=O)S5	2025
+C1CN(CCO1)Cc2cc(c([N+](=O)[O-])cc2)N	2609
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2F)CN3CCOCC3	17
+C1CN(CCO1)Cc2cc(c(cc2)N)N	0
+C1CN(CCO1)Cc2cc(-c3cncc4c3oc(C=O)c4)ccc2	2084
+C1CN(CCO1)Cc2cc3C(C(C(NCc4ccc(cc4)Cl)=O)=CN(C)c3cn2)=O	1267
+CC(C)(C)OC(N1CC(C1)Oc2cc(c(cc2)CN3CCOCC3)OC)=O	624
+c1cc(ccc1C=NNc2ccc(cc2)-c3cnco3)CN4CCOCC4	878
+C1CN(CCC1N2CCCCC2)c3ccc(cc3)CN4CCOCC4	85
+c1cc(ccc1Sc2ccc(cc2)C(=O)NC(C(O)C)C(=O)OC)CN3CCOCC3	259
+C1CN(CCO1)Cc2ccc(cc2)Sc3ccc(cc3)C(=O)O	1
+c1cc(ccc1)-c2oc(C(N3CC(C3)Oc4cc(c(cc4)CN5CCOCC5)OC)=O)nn2	3618
+c1cc(ccc1)CC(NC(=O)c2cccnc2-n3nc(CN4CCOCC4)cc3)C(=O)C(N)=O	1363
+C1CN(CCO1)Cc2ccn(-c3c(C(O)=O)cccn3)n2	6
+C1CN(CCO1)Cc2ccn(-c3c(C(=O)NC(Cc4ccccc4)C(C(=O)N)O)cccn3)n2	56
+C1COCCN1Cc2ccc(o2)C(=O)Nc3sc4c([nH]nc4n3)-c5c(cccc5)Br	6765
+C1CN(CCO1)S(=O)(=O)c2cccc(c2)C(=O)OC	47
+C1CN(CCO1)S(=O)(=O)c2cc(ccc2)C(NN=C(C)c3c(ccc(Cl)c3)Cl)=O	2085
+O=S(=O)(N1CCOCC1)c2cc(ccc2)C(NN=C(c3c(F)c(Cl)ccc3)C)=O	2085
+C1CN(CCO1)S(=O)(=O)c2ccc(cc2)C=Cc3cc(O)c(cc3)O	241
+CC(C)(C)c1cc(Nc2n(C)c3c(cc(Nc4ccnc(n4)Nc5cccc(c5)S(=O)(=O)N6CCOCC6)cc3)n2)no1	55
+C1CN(CCO1)S(=O)(=O)c2cccc(N)c2	0
+C1CN(CCO1)S(=O)(=O)c2cc(ccc2)C(NN)=O	296
+C1CN(CCO1)c2ccc(-c3nc(no3)-c4ccccc4OC)cc2C	910
+CC(C)(C)OC(N(Cc1c(ccc([N+]([O-])=O)c1)N2CCOCC2)C)=O	23
+C1COCCN1c2c(COc3cccc(O)c3C=O)cccn2	241
+C1CN(CCO1)c2c(OC)nnc(c2)Cl	485
+n1cc(cnc1C(C)Nc2nc(Nc3cc(n[nH]3)C)c(c(N4CCOCC4)n2)F)F	3927
+C1COCCN1c2c(OC(C)C)ncc(Br)c2	430
+C1COCCN1c2c(nnc(-c3c(C)ccc(c3)N)c2)OC	746
+C1COCCN1c2c(OCCOC3CCCCO3)ncc(c2)-c4c(C)ccc(c4)N	156
+C1COCCN1c2cnc(N3CCOCC3)c([N+]([O-])=O)c2	3631
+C1CN(CCO1)c2c(c(c(s2)C(O)=O)C(c3cc(c(Cl)cc3)Cl)CCO)C#N	6
+C1CN(CCO1)c2c(c(nc(-c3cc(ccc3)OCC(CNC)O)n2)NC4COCC4)C	122
+C1CN(CCO1)c2c(c(nc(-c3cc(ccc3)OCC4OC4)n2)NC5COCC5)C	72
+C1CN(CCO1)c2c(C)cc(C(O)=O)cc2	1
+C1COCCN1c2ccc(C=Cc3n[nH]c4ccccc34)cc2[N+](=O)[O-]	6766
+C1COCCN1c2c(cccc2)OCC(=O)OCC	52
+c1ccccc1Oc2nc(c(nc2)N)N3CCOCC3	6767
+C1CN(CCO1)c2c3c(c4c(sc5c(Cl)ncnc45)n2)CC(C)(C)N(C)C3	2679
+C1COCCN1c2c3ccc(-c4cccc(c4)S(=O)(=O)C)cc3nc(n2)-c5ccc(nc5)N	1323
+C1COCCN1c2nc(Cl)nc3n(c(nc23)C=O)CC	6768
+C1CN(CCO1)c2nc(nc3c2cc(cc3OCCO)-c4c(c(ccc4)NS(=O)(=O)CCC)F)-c5ccc(N)nc5	1323
+C1CC(CCN1C)N(c2sc3c(nc(-c4cnc(N)cc4)nc3n2)N5CCOCC5)C	6769
+c1cc(ccc1)OC(Nc2nc3c(OC)cnc(N4CCOCC4)c3s2)=O	810
+C1CN(CCO1)c2c3nc(CN4CCN5CCOCC5C4)n(C6OCCCC6)c3nc(Cl)n2	566
+C1COCCN1c2nc(nc3sc(C=O)cc23)Cl	968
+CC(C)(C)OC(=O)Nc1ncc(cn1)-c2nc3c(c(N4CCOCC4)n2)ncc(-c5cccc(c5)N)c3	2680
+CC(C)(C)OC(=O)Nc1ncc(cn1)-c2nc(c3ncc(cc3n2)-c4ccc(cc4)C(=O)NC5CC5)N6CCOCC6	2680
+C1COCCN1c2nc(nc3cc(sc23)CO)Cl	1364
+C1COCCN1c2c3c(cc(CN4CCC5(CC4)CNC5=O)s3)nc(Cl)n2	509
+FC(F)(F)S(=O)(=O)N1CCN(CC1)Cc2cc3c(c(N4CCOCC4)nc(Cl)n3)s2	509
+C1COCCN1c2c3sc(cc3nc(Cl)n2)CNC	1466
+C1CN(CCO1)c2nc(nc3cc(sc23)-c4cc(ccc4)C(=O)O)Cl	6770
+C1CN(CCO1)c2cc(c3c(n(c(n3)C)Cc4cc(ccc4)Cl)c2)Br	505
+C1COCCN1c2cc(B(O)O)c3c(c2)n(c(n3)CF)Cc4cccc(Cl)c4C	6771
+C1COCCN1c2nc(-c3ccccn3)nc(c2)CNC(C)C	1279
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1[N+](=O)[O-])N2CCOCC2	19
+c1cc(ccc1OC)COc2cc(cc(Cl)n2)N3CCOCC3	91
+Fc1cc(cc(F)c1N)N2CCOCC2	0
+C1COCCN1c2ccc(c(Nc3c4c(nc(-c5ccccc5F)c3C)cccc4)c2)C#N	179
+C1COCCN1c2cc(N)c(C3=NCCN3)cc2	2086
+FC(F)(F)c1[nH]c2c(c(cc(c2)N3CCOCC3)C(=O)OC)n1	1640
+C1COCCN1c2cc3c([nH]c(n3)C(F)F)c(C(=O)OC)c2	442
+C1CN(CCO1)c2ncc(I)c(N)c2	625
+C1CN(CCO1)c2c3c(nc(N)s3)c(cn2)OC	3928
+C1CN(CCO1)c2cc(c(C(=O)N)c(C)c2)S(=O)(=O)CC	2681
+c1cc(ccc1CNC(=O)c2c(cc(cc2C)N3CCOCC3)S(=O)(=O)CC)Cl	6772
+C1CN(CCO1)c2nc(c(c(c2)C(=O)OC)N)N	13
+c1cc(ccc1CNC(=O)c2c(O)cc(cc2F)N3CCOCC3)Cl	5
+C1CN(CCO1)c2cc3c(nc(C)n3Cc4cc(ccc4)Cl)c(B(OC)OC)c2	6773
+C1COCCN1c2nc(c([N+]([O-])=O)c(Cl)c2)Cl	1026
+C1COCCN1c2cc(cc(N3CCOCC3)c2)N	0
+C1CN(CCO1)c2cc(N)ccn2	0
+CC(C)(C)OC(N1CCC(CC1)(S(=O)(=O)C)c2cc(N3CCOCC3)nc(n2)Cl)=O	1365
+CC1(C)c2c(N(c3c4c(ccc(Cl)c4)nc5C(C)(C)CCc35)C1)cc(N6CCOCC6)cc2	6774
+C1COCCN1c2ccc3c(c2)N=C(N)C4CCCC34	6775
+C1CN(CCO1)c2cc3c(c4c(c(cc(-c5cnn(C)c5)n4)C(=O)N)[nH]3)cc2	6776
+C1CN(CCO1)c2cc3c(cc2)c4nc(cc(C(=O)N)c4[nH]3)-c5cc(cnc5)C	6777
+C1COCCN1c2cc3n(Cc4cc(ccc4)Cl)c(C)nc3c(B(O)O)c2	493
+C1CN(CCO1)c2cc3c(nc(C)n3Cc4cc(ccc4)Cl)c(B(OC)O)c2	493
+C1COCCN1c2cc3c(nc(C)n3Cc4cccc5c4cccc5)c(C(=O)O)c2	1
+C1CN(CCO1)c2ccc(Nc3ncc(Br)n4ncnc34)c(c2)F	6778
+C1COCCC1Oc2ccc(cc2C#N)-c3ccnc(Nc4ncc(cc4)N5CCOCC5)n3	1618
+C1CN(CCO1)c2ccc(c(c2)F)Nc3c4ncnn4c(cn3)-c5c[nH]nc5	6779
+C1COCCN1c2ccc(c(C=O)c2)[N+](=O)[O-]	494
+C1COCCN1c2c(cc(N)cc2)C	0
+C1COCCN1c2cc(C(NC)=O)c(N)cc2	0
+C1COCCN1c2ccc(OC)c3nc(-c4[nH]c5ccccc5n4)sc23	6780
+C1CN(CCO1)c2ccc(c3c2sc(NC(Cc4ccccc4)=O)n3)OC	290
+c1cc(ccc1)OC(=O)Nc2sc3c(ccc(OC)c3n2)N4CCOCC4	810
+c1ccccc1C=2CCN(CC=2)C(=O)c3cc([N+](=O)[O-])ccc3N4CCOCC4	6781
+C1CN(CCO1)c2ccc(cc2C(Cl)=O)[N+]([O-])=O	82
+c1c(OC)c(c(cc1Nc2nn3c(nc(C)c3cn2)-c4cc(Nc5cc(Cl)c(N6CCOCC6)cc5)ccc4)OC)OC	230
+C1CN(CCO1)c2ccc(cn2)Nc3c(C(N)=O)c(N)[nH]n3	6782
+C1CN(CCO1)c2ccc(cn2)Nc3[nH]nc(c3C(N)=O)NCc4ccc(cc4)O	811
+C1CN(CCO1)c2cc3c(C4CCCC4C(=S)N3)cc2	199
+C1CN(CCO1)c2ccc3N(C(=O)C)C(C(C(Nc4ncc(cc4)C#N)c3c2)C)C5CC5	340
+C1CN(CCO1)c2cc3c(cc2)c4nc(Br)cc(C(=O)N)c4[nH]3	2682
+C1CN(CCO1)c2nc(NC(=O)c3n4c(nc3)ccc(-c5c(cccc5)OCC6OC(C)(C)OC6)n4)ccc2	2683
+C1CN(CCO1)c2cc(ccc2)Oc3cc(c(Nc4cc(OC)c(cc4F)F)nc3)F	201
+C1CN(CCO1)c2cccc(Oc3cnc(cc3)Nc4ccc(F)c(OC)c4F)c2	201
+C1CN(CCO1)c2c(cccc2)O	5
+C1CN(CCO1)c2cc(c(nc2)N3CCOCC3)Nc4c(C)c(-c5ccccc5S(=O)(=O)C)nc6c4c(F)cc(F)c6	1332
+C1CN(CCO1)c2ncc(cc2Nc3cc(nc4cc(cc(c34)F)F)-c5ccccn5)N6CCOCC6	1332
+C1CN(CCO1)c2ncc(cc2Nc3c(CC)c(-c4ccccn4)nc5cc(cc(F)c35)F)N6CCOCC6	1332
+CC(C)(C)OC(N1CCN(CC1)c2nc3c(c(c2C)Nc4cc(cnc4)N5CCOCC5)c(cc(F)c3)F)=O	1332
+O=S(=O)(c1cnccc1)N2CCN(CC2)c3nc4c(c(Nc5cc(cnc5)N6CCOCC6)c3C)c(cc(F)c4)F	1027
+c1cc(ccc1O)C=NNc2nc3cc(-c4ccccc4)nn3c(N5CCOCC5)c2	878
+C1COCCN1c2cc(NN=Cc3ccc(cc3)Cl)nc4cc(-c5ccccc5)nn24	878
+C1CN(CCO1)c2sc(c(-c3cccc(N)c3F)n2)-c4ccnc(n4)Cl	2087
+C1CN(CCO1)c2sc(-c3nc(NC(C)C)ncc3)c(-c4c(c(ccc4)NS(=O)(=O)c5c(F)ccc(c5)F)F)n2	96
+C1CN(CCO1)c2nc(nc3cc(sc23)CN(C(=O)C=C)C)-c4cc(ccc4)O	404
+C1CN(CCO1)c2nc(-c3ccc(cc3)NC(=O)OC)nc4c5c(n(cc5)CCN(C)C)ccc24	3929
+c1cc(ccc1-c2nc(c3ccc4c(ccn4CCN(C)C)c3n2)N5CCOCC5)NC(Nc6ccccc6)=O	124
+c1cc(ccc1NC(=O)Nc2ccncc2)-c3nc(c4ccn(c4n3)CCNC)N5CCOCC5	110
+C1CN(CCO1)c2nc(N3CCN(CC3)S(=O)(=O)C=C)nc(-n4c5cccc(OC)c5nc4C(F)F)n2	6783
+C1CN(CCO1)c2nc(c(C)s2)CCl	6784
+CC(C)(C)OC(N1CCN(CC1)c2nc(nc(-n3c4cccc(OC)c4nc3C(F)F)n2)N5CCOCC5)=O	436
+C1CN(CCO1)c2nc(Cl)nc3c2ccn3CCN(C)C	3924
+CC(C)(c1cc2c(nc(Cl)nc2s1)N3CCOCC3)OC	76
+C1CN(CCO1)c2c3c(nc(Cl)n2)c(OCCO)cc(c3)-c4c(c(ccc4)NS(=O)(=O)CCC)F	99
+c1cc(ccc1-c2nc(c3ccn(CCN(C)C)c3n2)N4CCOCC4)N	261
+C1CC(CCN1Cc2nc3c(n2C)nc(nc3N4CCOCC4)Cl)C5COC5	566
+C1C(CN1Cc2nc3c(nc(nc3N4CCOCC4)Cl)cc2)N5CCOCC5	596
+C1C(CN1Cc2nc3c(nc(Cl)nc3cc2)N4CCOCC4)N5CC(NCC5)=O	596
+CC(C)(C)[Si](C)(C)n1c2c(c(c(cc2)F)-c3nc(c4c(ccc(CN5CC(C5)C6CCOCC6)n4)n3)N7CCOCC7)cc1	3622
+CC(C)(C)OC(N1CCN(CC1)Cc2c(c3c(c(N4CCOCC4)nc(n3)Cl)s2)C)=O	509
+C1CN(CCO1)c2c3sc(S(=O)(=O)C)nc3nc(Cl)n2	6785
+C1CN(CCC1Cc2nc3c(nc(Cl)nc3N4CCOCC4)cc2)C(C)=O	10
+c1cc(ccc1-c2nc(N3CCOCC3)c4c(n(cc4)CC(OC)OC)n2)N	261
+C1CN(CCO1)c2nc(nc(n2)-n3c4cccc(OC)c4nc3C(F)F)N5CCN(CC5)S(=O)(=O)CCN6CCSCC6	3356
+C1CN(CCO1)c2nc(NC(=O)c3cnc4n3nc(cc4)-c5ccccc5OCC(CO)O)ccc2	265
+C1COCCN1c2cc(c(c(SCC)n2)C(=O)NCc3cc(F)cc(c3)F)C	56
+C1CN(CCO1)c2nc(-c3c(F)c(ccc3)NS(=O)(=O)c4ccco4)c(s2)-c5ccnc(N)n5	911
+C(OP(OCC)(Cc1c(C)sc(N2CCOCC2)n1)=O)C	6786
+C1CN(CCO1)c2sc(C)c(COc3ccc(C=O)cc3OC)n2	2088
+C1CN(CCO1)c2cc(c([N+](=O)[O-])c(N)n2)C(=O)OC	128
+C1CN(CCO1)c2nc3c([nH]c(n3)C)c(c2)C(=O)OC	2684
+C1COCCN1c2nc(-c3ccccc3)nc(Cl)c2	6787
+C1CN(CCO1)c2c3cc(cc(c3nc(Cl)n2)O)Br	390
+C1CN(CCO1)c2nc(Cl)nc3c2nc(CO)cc3	59
+C1CN(CCO1)c2c3ncc(-c4cc(N)ccc4)cc3nc(Cl)n2	1151
+C1CN(CCO1)c2c3ncc(cc3nc(Cl)n2)-c4ccc(cc4)C(O)=O	1151
+c1cc(ccc1NS(=O)(=O)C)-c2nc(N3CCOCC3)c4ccc5c(c4n2)ccn5C	80
+C1CN(CCO1)c2c3c(cc(cc3)-c4cccc(S(=O)(=O)C)c4)nc(Cl)n2	495
+C1CN(CCO1)c2nc(-c3cccc4n[nH]cc34)nc5c2sc(c5)NC(=O)C	6788
+C1CN(CCO1)c2c3c(cc(s3)-c4cc(ccc4)C(=O)O)nc(n2)-c5cnc(nc5)N	2685
+C1CN(CCO1)c2nc(-c3ccc(cc3)NC(=O)Nc4ccncc4)nc5n(CC=O)ccc25	571
+C1CN(CCO1)c2nc(c3c(N(c4ccnc(N5CCN(CC5)C)c4)CC3)n2)-c6cccc(O)c6	5
+C1COCCN1c2nc3n(Cc4cccc5ccccc45)c(nc3c(C(OC)=O)c2)C	1484
+C1COCCN1c2nc3c(c(C(O)=O)c2)nc(n3Cc4c(c(Cl)ccc4)Cl)C	1
+CC(C)(C)C(Nc1c(c(c(c(c1)F)F)C(O)c2ccc3ncc(nc3c2)N4CCOCC4)F)=O	1641
+CC(C)(C)C(=O)Nc1ccc(cc1)C(c2cc3nc(N4CCOCC4)cnc3cc2)O	257
+C1CN(CCO1)c2nc3c(ccc(C=O)c3)nc2	3930
+C1CN(CCO1)c2nc3cc(ccc3cc2C4CCCN4c5c(C#N)c(ncn5)N)F	54
+C1CN(CCO1)c2c3n(c(-c4ccc(cc4)-c5[nH]nnn5)cn2)cc(n3)COc6ccc7c(cccc7)n6	6789
+C1COCCN1c2cc(c(cn2)-c3ccc(c(F)c3)OC(F)F)N	1642
+C1COCCN1c2cc(Nc3c(C)c(nc4cc(F)cc(F)c34)-c5ccccn5)c(I)cn2	179
+C1COCCN1c2cc(c(cn2)Br)Nc3c4c(cc(F)cc4F)nc(c3C)-c5ccccn5	179
+C1CN(CCO1)c2c(COc3c(c(ccc3)OCOC)C=O)cccn2	751
+C1COCCN1c2nccn3c2nc(C(OCC)=O)c3	6790
+C1COCCN1C2=NN(N)C(=O)c3ccccc23	6791
+C1COCCN1c2c(C#N)c(-c3c(cc(cc3)Cl)Cl)c(s2)C(=O)N	767
+C1CN(CCO1)c2sc(C)c(COc3ccc(cc3OC)CO)n2	41
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(cc3)OCc4c(C)sc(N5CCOCC5)n4)OC)n2	3931
+C1CN(CCO1)c2sc(c(n2)-c3cccc(NS(=O)(=O)c4c(cccc4F)F)c3F)-c5ccnc(Cl)n5	69
+C1CN(CCO1)c2nc(-c3c(c(ccc3)NS(=O)(=O)c4c(F)ccc(c4)F)F)c(-c5ccnc(n5)Cl)s2	69
+C1CN(CCO1)c2nc(c(-c3ccnc(n3)Cl)s2)-c4c(F)c(ccc4)NS(=O)(=O)c5ccco5	2686
+C1CS(CCN1c2ncc(cc2)C#N)(=NC)=O	6792
+c1cc(ccc1C2CN(C(=O)N3CCS(CC3)(=O)=O)CC(C2)C(OC)=O)OC(F)F	468
+c1cc(ccc1)C2=CCc3ccc(cc3O2)-c4c5c(N)ncnc5n(C6CC(C6)CN7CCS(CC7)(=O)=O)c4	6793
+C1CN(CCS1(=O)=O)CC2CC(C2)n3cc(c4c(ncnc34)N)Br	869
+O=S1(=O)CCN(CC1)CCNS(=O)(=O)c2ccccc2[N+]([O-])=O	71
+C1CS(CCN1C(Oc2ccc(cc2)[N+]([O-])=O)=O)=O	441
+C1CN(CCS1)C=2SC(=Cc3cccc(C(O)=O)c3)C(N=2)=O	1149
+C1CN(CCS1=O)C2CC(C2)n3cc(-c4cccc(OCC5OCCC5)c4)c6c(N)ncnc36	1311
+FC(F)(F)c1ccc(c(c1)NC(=O)Nc2ccc(nc2)N3Cc4c(CC3)c(C(=O)N)[nH]n4)F	6794
+CC(C)c1cc(ccc1)NC(c2cc(ccc2)N3Cc4c(CC3)c(cnc4)C(OC)=O)=O	67
+FC(F)(F)CNC(=O)C1(c2ccccc2-c3c1cccc3)CCCCN4CCN(c5ccc6c(n5)cccc6)CC4C	28
+C1CN1c2cc(c(cc2[N+]([O-])=O)[N+]([O-])=O)C(NCCC(=O)OC)=O	6795
+C1CC2CCN1CC2Cc3cc(ccc3)F	1028
+C1CN2CCC1C(C(CCc3ccc(cc3)CO)(O)c4ccccc4)C2	88
+C1CN2CCC1C(C2)C(c3ccccc3)(O)CCc4ccc(cc4)C(OC)=O	213
+C1CN2CCC1C(C(O)(c3ccccc3)CCc4ccc(cc4)COC)C2	49
+C1CC2CCN1Cc3c2[nH]c4c3cccc4Br	518
+C1CC2CCN1Cc3c4c(n(CCc5cnc(cc5)Cl)c23)ccc(C)c4	6796
+C1CN2CCC1c3[nH]c4ccc(cc4c3C2)C	518
+C1CC2CCN1CC23OC(=NC3)Nc4cc(ncn4)Oc5ccccc5	6797
+c1cnccc1-c2cc(N=C3NCC4(CN5CCC4CC5)O3)ncn2	6798
+CC(C)(c1cccc(Br)c1)NC(NC2CN3CCC2CC3)=O	1957
+FC1(F)C(N(c2c(nc(nc2)Nc3c(cc(C(=O)NC4CN5CCC4CC5)cc3)OC)N(C6CCCCC6)C1)C)=O	14
+C1CN2CCC1C(NC(Cc3cc4ccccc4n3C)=O)C2	9
+C1CC2CCN1CC2NC(c3ccc(Sc4ccc(cc4)Cl)s3)=O	227
+C1CN2CCC1C(NCCc3n(C)c4ccccc4c3)C2	15
+C1CN2CCC1C(C2)OC(C(c3c4c(sc3)cccc4)Nc5cccc(c5)F)=O	27
+C1CC2CCN1CC2OC(=O)C(c3ccccc3)N4CCC(F)(F)CC4	27
+C1CN2CCC1C(OC(=O)C(Nc3ccccc3)c4cc(F)ccc4)C2	1643
+c1ccccc1-c2ccc(cc2NC(OC3C4CCN(CC4)C3)=O)Br	589
+C1CC(CCN1C(c2ccccc2)C(OC3CN4CCC3CC4)=O)C(N)=O	27
+FC(F)(F)c1ccc(CCn2c3c(c4CN5CCC(CC5)c24)cc(C)cc3)cn1	3389
+N1(C(=O)NCC1)c2ncccc2	3819
+C1n2c(cc3cc(OC)ccc23)CNC1	729
+C1CCCCN1CN2C(C(=C3c4ccc(N(C)C)cc4CO3)c5c2ccc(Cl)c5)=O	6799
+C1CN(CCC1)CC#CCCC(=O)N2c3ncccc3NC(=O)c4ccccc24	1469
+CC(C)(C)C(=O)OCN1C=Nc2cc(c(cc2C1=O)OC)OCCCN3CCCCC3	28
+CC(C)(C)OC(=O)N(c1ccc(cc1)NC(c2ccc(C)nc2N3CCCCC3)=O)CCc4ccccn4	43
+CC(C)(C)OC(N1CCN(CC1)c2nccnc2N3CCCCC3)=O	317
+CC(C)(C)OC(=O)N1CCc2onc(c2C1)C(N3CCCCC3)=O	147
+CC(C)(C)OC(=O)NC(C(CN1CCCCC1)O)CC(C(C)C)Cc2cc3c(cccc3OCCOC)cc2	170
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(N3CCCCC3)=O	30
+CC(C)(C)OC(=O)NCc1cnc(cc1)CN2CCCCC2	1309
+CC(C)(C)OC(c1ccc(cc1[N+](=O)[O-])C(=O)N2CCCCC2)=O	30
+CC(C)(C)OC(CC(c1nc(no1)C(=O)N2CCCCC2)CCCC3CCCCC3)=O	2661
+CC(C)(C)OC(c1c(nc2ccc(N3CCCCC3)cc2c1-c4ccc(cc4)F)C)=O	79
+CC(C)(C)OC(c1ccc(cc1NC(c2cc(ccc2OCOC)CN3CCCCC3)=O)-c4ccccc4)=O	131
+CC(C)(C)c1ccc(cc1)C=C(C)CN2CCCCC2	3855
+CC(C)(C)c1sc2c(n1)cc(c(NC(N3CCCCC3)=S)c2)N4CCN(CC4)C	1366
+CC(C)(C)n1nc(cc1N=C2NN(c3ccc(cc3)N4CCCCC4)C(c5ccccc25)=O)C	202
+CC(C)(c1ccc(c(c1)Br)CC(C)CN2CCCCC2)CCCC	53
+CC(C)C(c1ccc(cc1)N2CCCCC2)=O	34
+C1CCCCN1CCCn2c3ccccc3cc2C(NC4C(CCCC4)C(NC(CC(C)C)C#N)=O)=O	53
+C1CN(CCC1)CCCCCS(=O)CCC(C)C	53
+CC1(C)Cc2c(OC)cccc2C1N3CCCCC3	3339
+C1CCCCN1CC(Nc2ccc(cc2)C(=O)N3CC4(CC3CC(C)(C)C4)C)=O	224
+C1CN(CCC1)C(SC)=C[N+]([O-])=O	6800
+FC(F)(F)Oc1ccc(cc1)N2C(=O)C3(CCN(CC3)C(N4CCCCC4)=O)CC2	2399
+C1CN(CCC1)c2cc(ccc2[N+](=O)[O-])Cl	34
+Clc1cc(cc(Cl)c1Oc2ccc(O)c(c2)CN3CCCCC3)N4C(=O)NC(C=N4)=O	48
+C1CCCCN1c2cc(C(Nc3ncc(nc3)-c4ccc(c(C)c4)C)=O)c(cc2)[N+](=O)[O-]	202
+Clc1cccc(CNCc2nc3c(oc4c3cc(cc4)Br)c(O)n2)c1	6801
+C1CN(CCC1)c2cc(nc(n2)Cl)Cl	54
+FC(F)(F)C(N(c1ccc(CCC(OCC)=O)c(F)c1)Cc2ccc3c(c2C)N(CCN4CCCCC4)CCC3)=O	123
+FC(F)(F)c1c2nc(CN3CCCCC3)c(-c4cc(Oc5cccc(S(=O)(=O)C)c5)ccc4)n2ccc1	6802
+FC(F)(F)c1cc(-c2ncc(nc2)NC(c3c([N+](=O)[O-])ccc(N4CCCCC4)c3)=O)ccc1	202
+FC(F)(F)c1cc([N+](=O)[O-])c(N2CCCCC2)c(C(Nc3cc(Cl)c(cc3)Cl)=O)c1	202
+FC(F)(F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	202
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(c3)OCCCCN4CCCCC4	28
+FC(F)(F)c1cccc2c(n(nc12)-c3ccccc3)N4CCCCC4	959
+C1CCCCN1CC(N(c2c(ccc(c2)OC)C3CCc4c(C3)ccc(OC)c4)CC)=O	224
+C1CCCN1c2c3c4ccccc4n(c3nc(N5CCCC5)n2)CCN6CCCCC6	123
+O=S(=O)(c1ccc(cc1)C)N2C(CC(=O)NCCc3ccc(cc3)CN4CCCCC4)C(NC=C2)=O	171
+C1CCCCN1C(C)CCOc2ccccc2	2687
+c1cc(ccc1CCN2CCCCC2)-c3cc4c(CN(CC4)C(=O)COC(C)=O)cc3	236
+C1CN(CCC1)Cc2nc3c(cccc3)[nH]2	894
+C1CCCCN1C(c2cc(C)c(Nc3cnc(C)cc3)nc2)=O	211
+C1CN(CCC1)Cc2cc(c(O)cc2)OC	48
+C1CN(CCC1)c2ccnc(C)c2	264
+C1CCCCN1c2nc(cs2)C(OCC)=O	2643
+C1CCCCN1CCCCCn2c3c(c(nc(OC(C)CCC)n3)N)nc2OC	53
+C1CN(CCC1)C(=O)c2ccc([N+]([O-])=O)cn2	3753
+C1CN(CCC1)c2c3c(C=O)cn(C)c3ncc2	3932
+C1CCCCN1C(=O)c2ccc(Oc3cc(cc(c3)OC(C)CO)C(=O)Nc4nn(C)cc4)c(F)c2	30
+C1CCCCN1c2cc(nc(N3CCCC3C)n2)N4C(CN(c5c(cc(cn5)C(=O)OCC)C)CC4)C	54
+C1CN(CCC1)CCCOc2cc(OC3CCOC3)c4c(ncnc4c2)Nc5cc(c(F)cc5)Cl	53
+C1CN(CCC1)CCCOc2cc(F)c(-c3cn4c(n3)cc(C)cc4)cc2	53
+C1CCCCN1Cc2[nH]c3cc(Oc4sc5ccccc5n4)ccc3c2	315
+C1CCCCN1c2cc(ccc2[N+](=O)[O-])F	34
+C1CN(CCC1)CCCCN2CCN(CCC2=O)C(C=Cc3ccc(c(c3)Cl)Cl)=O	183
+C1CN(CCC1)CC(O)CCN2CCN(CCC2=O)C(C=Cc3ccc(c(c3)Cl)Cl)=O	170
+C1CN(CCC1)c2nc(nc(C(=O)OC)c2)Cl	54
+C1CCCCN1c2cc(Br)c([N+]([O-])=O)cc2	34
+C1CN(CCC1)c2cnc(cc2)[N+]([O-])=O	244
+C1CN(CCC1)c2ccc(c(C(=O)N)c2)[N+]([O-])=O	34
+C1C(CC1)(C(CN2CCCCC2)=O)c3ccccc3	3933
+c1cc(ccc1)C2=CN(C(c3ccccc23)=O)CCCN4CCCCC4	53
+c1cc(ccc1)N2C=C(C(=O)c3ccc(cc23)Cl)CNC(=O)c4ccc(nc4)N5CCCCC5	43
+C1CCCCN1c2ccc3c(c2)c(-c4ccc(cc4)F)c(c(n3)C)C(C)O	79
+c1cc(ccc1S(=O)(=O)N2CCCCC2)C#N	92
+C1CN(CCC1)CCC(=O)Nc2ccc(cc2)C(=O)N3CC4(CC3CC(C)(C)C4)C	1531
+c1cc(ccc1C(=O)Nc2ccc(cc2)OC(=O)N(C)c3ccccc3)CN4CCCCC4	171
+c1cc(ccc1CN2CCCCC2)C(C)n3nnc(CC4N(C=CNC4=O)S(=O)(=O)c5ccc(Cl)c(Cl)c5)c3	48
+C1CN(CCC1)C(=O)c2ccc(cc2)C=O	30
+c1cc(ccc1Cl)-c2cc(C(CN3CCCCC3)=O)c(C)s2	1498
+C1CN(CCC1)CC(c2cc(C(c3ccc(cc3)Cl)=O)cn2C)=O	1498
+c1cc(ccc1Cl)N2c3c(N=C(N4CCCCC4)C2=O)cccc3	6803
+C1CCCCN1CC2CCc3n(c4c(cccc4)c3C2=O)Cc5ccc(cc5)C(OC)=O	6804
+c1cc(ccc1Cn2cc(cn2)-c3nc(sc3N4CCCCC4)Nc5ccccn5)OC	3934
+C1CCCCN1CCCCCCOc2cc3ccn(-c4ccc(cc4)F)c3cc2	28
+C1CCCCN1C(C2CCc3c2nc(s3)-c4ccc(cc4)OCCCCl)=O	10
+C1CN(CCC1)CCCOc2ccc(cc2)I	53
+C1CCCCN1C(=O)Cc2nc(oc2)-c3ccc(cc3)OCCN4CCCC4C	10
+c1cc(ccc1Oc2ccc(C(=O)N3CCCCC3)cn2)C=O	211
+C1CN(CCC1)c2ccc(nc2)C(Nc3cc(cc4[nH]ncc34)-c5c6cc[nH]c6ccc5)=O	244
+C1CN(CCC1)CC2CC(c3ncc(Br)cc3)=NO2	53
+C1CCCCN1C2Cc3c(C2)ccc(OC)c3	85
+C1CCCCN1c2ncnc(COC)c2C	54
+c1ccccc1CCOCCN2CCC(CC2)(C#N)C	236
+O=S(=O)(CCC)N1CCC(CC1)(c2ncccc2)C#N	112
+CN(C)C(=O)Oc1cc(NC(C2(CCN(CC2)c3ncnc4[nH]cc(c34)C)COC)=O)ccc1	778
+c1cc(ccc1C(=O)N2CCC(CC2)(c3ccccc3)C(=O)OC)-c4nc(C)no4	30
+C1CC(CCC1)C2(CCNCC2)CO	44
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)N2CCC(C)(C)CC2	92
+CC(C)(C)OC(N1CCC(CC1)(O)C)=O	23
+C1CC(CCN1C(Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)=O)(O)C	437
+c1cc(ccc1F)C2c3nc(nc(N4CCC(CC4)(O)C)c3CC2)Cl	54
+C1CN(CCC1(c2cc(ccc2)-c3cnn(C)c3)CO)c4ncnc5nc[nH]c45	1310
+C1CC(CCN1C(C)=O)(Cn2c3c(nc2COCC)cnc4ccccc34)O	58
+C1CC(CCN1C(=O)Nc2ccccc2)(O)Cn3c4c(nc3COCC)cnc5ccccc45	326
+FC(F)(F)c1nnc2ccc(nn12)N3CCC(CC3)(c4ccc(cc4)O)O	212
+C1CN(CCC1(c2c(C)cccc2)C#N)C(OCC)=O	66
+CC(C)(O)CN1CCC(CC1)(C#N)c2ccc(cn2)Br	170
+C1CC(CCN1CCc2ccc3NC(CCc3c2)=O)(O)c4sc(cc4)Cl	53
+CC(C)(C)OC(=O)Cc1cc(N2CCC3(CC2)C(=O)N(C(=O)N3CCc4ccc(cc4)OC)CC5CC5)ccc1	79
+c1ccccc1N2C3(CCN(CC3)CCCN4C(Nc5c4c(Cl)ccc5)=O)C(NC2)=O	1306
+C1CC2(CCN1CCc3cc(ccc3)OC)CC(c4cc(ccc4O2)C=CC(=O)OC)=O	28
+C1CN(CCC12CC(c3c(ccc(C=CC(=O)OC)c3)O2)=O)CCc4c[nH]c5ccccc45	28
+C(C)Oc1cc(cc(OCC)c1-c2ccc(cc2)F)CN3CCC4(CC3)CC(NC4)=O	171
+C1CN(CCC12CC(c3c(O2)cccc3)=O)C(c4ccccc4OC)=O	30
+CC(C)(C)OC(=O)Nc1cc(cc(c1Cl)N2CCC3(CC2)C(=O)N(CC3)C)C#N	79
+CC(C)(C)OC(N1CC(c2ccccc2)C(CN3CCC4(CC3)CCN(Cc5ccc(cc5)Br)C4=O)C1)=O	61
+c1cc(ccc1)C(CCN2CCC3(CC2)CCN(C3=O)Cc4ccc(cc4)Br)=O	1644
+CC(C)(C)[Si](C)(C)OCCc1ccc(CCN2CCC3(CC2)CN(CCO3)C(=O)c4nc(sc4)C)s1	61
+CC(C)(C)OC(=O)NCCCN1CCC2(CC1)CN(C(=O)OCc3ccccc3)CC2	53
+CC(C)(C)[Si](C)(C)OCCc1c(F)c(CN2CCC3(CC2)CN(C(=O)c4csc(n4)C(C)C)CCO3)ccc1	48
+C1CN(CCC12OCCN(C(c3nc(sc3)C(C)C)=O)C2)CCc4csc(CCOC(=O)C)c4	123
+C1CC2(CCN1CCc3cccc(CCO)c3)CN(C(=O)c4nc(C(C)C)sc4)CCO2	28
+CC(C)(C)OC(=O)CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CNC(=NC(c4nc(c(nc4N)N)Cl)=O)N3)c1	30
+c1cc(ccc1N2C3(CCN(CC3)C(=O)C)C(NC2=O)=O)C	58
+CC(C)(C)OC(N1CCC(CC1)N2CCC3(CC2)OC(Nc4ccccc34)=O)=O	85
+C1COCCC1c2nc3c(cc(Oc4cc(N5CCC6(CC5)c7c(NC(=O)O6)nccc7)ncn4)cc3[nH]2)Cl	54
+C1CN(CCC12c3c(NC(=O)O2)nccc3)c4cc(C(=O)c5cc6c(c(C)c5)N(C)C(=O)O6)nc(C)n4	54
+C1CN(CCC12c3c(NC(=O)O2)nccc3)c4ncnc(c4)C(c5cc(C)c6c(OC(=O)N6C)c5)=O	54
+C1CN(CCC12c3c(CCO2)cc(F)s3)Cc4cn(nc4C)-c5c(C#N)cccn5	678
+CC(C)(C)OC(=O)N1CCC2(CC1)CCCc3ccccc23	23
+C1CN(CCC12C=Cc3ccccc23)c4c(Cl)c(nnc4)NN	6805
+C1CC(CCN1CC(OCC)=O)=C2c3ccc(cc3CCc4c2nccc4)C#N	303
+C1CC(CCN1CCOc2cccc3nc(ccc23)C)=Cc4cc(-c5ccccn5)ccc4	28
+C1CC(CCN1CCOc2cccc3nc(C#N)ccc23)=Cc4cccc(Br)c4	28
+C1CN(CCC1C#N)CC(N(C(c2cc(c(cc2)F)C)=O)C)C(C)C	61
+C1CN(CCC1C#N)c2c(cnc(N)c2Cl)Br	264
+C1CC(CCN1C(N2CCOc3c(cc(-c4cnc(cc4)-c5[nH]ccn5)cc3)C2)=O)C#N	776
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCC(CC4)C(=O)N5CCC5	85
+CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCC(CC2)C(=O)c3cc(Cl)ccc3Cl	61
+FC(F)(F)CCN1CCC(CC1)C(=O)N	183
+FC(F)(F)c1nccc(n1)N2CCC(CC2)C(=O)N	54
+O(c1cc(cc(OC)c1OC)-c2nccc(CN3CCC(CC3)C(=O)N)c2)C	171
+C1CN(CCC1C(N)=O)S(=O)(=O)c2c3c(ccc2)cccc3	92
+c1c(Cl)c(c(cn1)Cl)N2CCC(CC2)C(=O)N	264
+C1CN(CCC1C(N)=O)C(C(=O)OCC)c2ccccc2	6806
+c1ccccc1C(c2ccccc2)N3CCC(CC3)C(N)=O	1109
+C1CC(CCN1Cc2ccccc2)C(N)=O	171
+C1CN(CCC1C(N)=O)C(=O)OCc2ccccc2	66
+C1CN(CCC1C(N)=O)CCOc2ccc(cc2)Oc3nc4ccccc4s3	28
+C1CN(CCC1C(=O)N2CC(C(Oc3ccc(C#N)cn3)C)C(c4cc(c(Cl)cc4)Cl)C2)CC#N	6807
+c1cc(ccc1Cl)S(=O)(=O)CCCN2CCC(CC2)C(c3ccc(cc3)F)Nc4cc(F)c(F)cc4	53
+CC(C)(C)OC(=O)N1CCCC(CN2CCC(CC2)C(=O)Nc3ccc(c(Cl)c3)Cl)C1	61
+CC(C)(C)CCN1CCC(CC1)C(=O)OCC	61
+CC(C)(C)OC(n1c(-c2cc(N3CCC(CC3)C(OCC)=O)ccc2Cl)nc4c1cccc4)=O	79
+CC(C)(C)OC(n1c2ccc(OC)cc2nc1-c3c(ccc(N4CCC(CC4)C(=O)OCC)c3)F)=O	79
+CC(C)(C)[Si](C)(C)Oc1ccc2nc(ccc2c1)CN3CCC(CC3)C(=O)OCC	315
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)C(OCC)=O)=O)c4c(cccc4)Br	10
+CC(C)Oc1ccc(-c2onc(-c3cccc4c3n(cc4CN5CCC(CC5)C(=O)OCC)C)n2)cc1Cl	565
+CC1(C)Oc2c(c(CCN3CCC(CC3)C(=O)OCC)ccc2)CO1	123
+C1CC(CCN1c2c(Cl)nsn2)C(=O)OCC	6808
+C1CN(CCC1C(=O)OCC)c2ncnc(c2F)Cl	54
+FC(F)(F)CCN1CCC(CC1)C(=O)OCC	61
+FC(F)(F)c1c(ccc(-c2ncc(cn2)-c3cccc(CN4CCC(CC4)C(=O)OCC)c3CC)c1)OC(C)C	48
+C1CN(CCC1C(=O)OCC)C(C)=O	58
+C1CC(CCN1S(=O)(=O)C)C(=O)OCC	112
+C1CC(CCN1CCc2c3c(oc2)cc(cc3)Oc4sc5ccccc5n4)C(OCC)=O	123
+C1CC(CCN1c2nc3ccc(c(c3cc2)C(O)=O)Cl)C(=O)OCC	286
+C1CC(CCN1c2c3c(n(C)cc3C=O)ncc2)C(=O)OCC	3932
+C1CC(CCN1c2ccc(Cl)c(-c3ccc(cn3)C)c2)C(=O)OCC	79
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)C(=O)OCC	3935
+C1CN(CCC1C(=O)OCC)Cc2ccc(cc2)-c3c(-c4ccccc4)cc5c(n6nc(C)cc6nc5)n3	48
+c1cc(ccc1OCCCCN2CCC(CC2)C(OCC)=O)Cn3c(nc4c3nc(nc4N)OCCCC)OC	53
+C1CN(CCC1C(=O)OCC)Cc2cc3c(cc2)cc(cc3)O	48
+C1CN(CCC1C(=O)OCC)c2c(ccnc2)-c3sc(C)cn3	2688
+CC(C)(C)OC(N1CCC(CC1)C(c2ccc(cc2)Br)=O)=O	23
+FC(F)(F)C(C)OC(N1CCC(CC1)C2(Oc3cnc(cc3C2)-c4ccc(cc4)S(=O)(=O)C)C)=O	1011
+O=S(=O)(c1ncn(C)c1)N2CCC(CC2)C3=NCCc4cc(OC)ccc34	3936
+O=S(=O)(c1cnc(cc1)OCCC2CC2C3CCN(CC3)C#N)C	739
+C1CN(CCC1C2C(C2)CCO)c3ccc(C=O)cn3	43
+c1nc(ncc1COC)N2CCC(CC2)C3CC3CCO	117
+c1nc(ncc1OCC)N2CCC(CC2)C3CC3CCO	117
+n1cc(cnc1N2CCC(CC2)C3CC3CCO)CC	117
+C1CNCCC1C2N=C3NC(=CC(=O)N3CC2)c4ccncc4	6809
+c1cnccc1C2=CC(=O)N3C(=NC(C4CCN(CC4)C)CC3)N2	113
+c1nc(ncc1CCC)N2CCC(CC2)C3Oc4c(C3)cc(Br)cc4F	117
+CC(C)N1CCC(CC1)CC#Cc2c3c(c(nc(CCCC)n3)N)n(COCc4ccccc4)c2	2689
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)CC(=O)OCC)=O)c4c(cccc4)Br	10
+CC(C)CC1C(N(CC(N2CCC(CC2)CC(=O)OCC)=O)CC(c3ccccc3Cl)c4cc(Cl)ccc14)=O	10
+C1CC(CCN1c2c(cc(cc2)Cl)[N+]([O-])=O)CC(=O)OCC	202
+FC(F)(F)c1ncc(cn1)N2CCC(CC2)CC3CCN(CC3)C(C)C	3937
+C1CN(CCC1CC2CCN(CC2)C(C)C)c3ncc(nc3)C(=O)OC	317
+C1CC(CCN1c2ccc(cc2)C(=O)C)CC3CCN(CC3)C4CCC4	34
+CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(CN3CCC(CC3)CCC)=C(Cl)C=C(C2=O)Cl	3830
+C1CC(CCN1CC)CCCCCCn2c(nc3c(nc(nc23)OCCCC)N)OC	183
+C1CN(CCC1CCNC(=O)C=C)C(=O)CNc2c(O)cc(Cl)c(Cl)c2	10
+CC(C)(C)OC(=O)NC(C(=O)N1CCC(CC1)CCc2c(nc(C)nc2N)Cl)C	10
+C1CN(CCC1CCc2noc3c(CO)c(ccc23)OCC4CC4)Cc5nc(C#N)cs5	6810
+C1CC(CCN1C(=O)OCc2ccccc2)CN	613
+c1cc(ccc1CN2CCC(CC2)CN)Cl	171
+C1CC(CCN1S(=O)(=O)C)CN(CCC)C2CCc3ccc(cc3C2)[N+](=O)[O-]	112
+C1CC(CCN1C(=O)N)CNc2cc(nc3n2ncc3Br)-c4c(Cl)cccc4	6811
+CC(C)(C)[Si](C)(C)OCC1CCNCC1	19
+CC(C)C(N1CCC(CC1)CO)=O	10
+C1CN(CCC1CO)C(OC(C)C)=O	66
+C1CC(CCN1C(=O)CC)CO	58
+C1CN(CCC1CO)c2nccc(c2)C	361
+C1CC(CCN1C#N)CO	739
+C1CN(CCC1CO)C(=O)C	10
+O=S(=O)(c1ccc(c(c1)C(=O)O)Cl)N2CCC(CC2)CO	92
+C1CC(CCN1C(=O)CC2C(=O)NC=CN2S(=O)(=O)c3cc(C)c(Cl)cc3C)CO	10
+C1CNCCC1COc2c3c(Nc4ccc(c(Cl)c4)O)ncnc3ccc2	1111
+C1CC(CCN1Cc2cnc(-c3ccccn3)s2)CO	2075
+c1ccccc1C(c2ccccc2)OCC3CCNCC3	3938
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3CCNCC3	328
+c1ccccc1-c2csc3nc(nc(c23)N4CCC(CC4)CO)CCl	1570
+c1ccccc1-c2csc3nc(Cl)nc(c23)N4CCC(CC4)CO	1570
+C1CN(CCC1CO)C(c2ccccc2)=O	115
+C1CN(CCC1CO)c2ncc(cn2)CC	117
+C1CC(CCN1C(Nc2sc3c(N4CCOCC4)ncc(OC)c3n2)=O)COC	437
+CC(C)N1CCC(CC1)COc2c(C(NC(C)(C(=O)OCC)CC)=O)cc(c3ccccc23)Cl	85
+C1CC(CCN1C(C)=O)COc2c3c(cccc3)c(Cl)cc2C(NC(C)(C(=O)OCC)CC)=O	58
+CC(C)(C)Oc1nc(CCN2CCC(CC2)COc3c(cccc3)F)cnc1	6812
+C1CC(CCN1CCOc2cccc3c2ccc(n3)C)Cc4ccc5c(c4)NC(=O)CO5	28
+C1CC(CCN1CC#N)Cc2n(c3ncccc3n2)CCOCC	1321
+c1cc(ccc1Oc2ccccc2)CCN(C3CCN(CC3)Cc4ccc(cc4)C(OC)=O)C	131
+C1CC(CCN1CC(C)(C)O)N(C(c2ccc(cc2)-c3ocnc3)=O)C4CC4	170
+C1CC(CCN1)N(Cc2scnc2Cl)CC(C)C	6813
+C1CC(CCN1C(=O)NC(Cc2cc3c(n[nH]c3)c(C)c2)C(=O)OC)N4Cc5cccc(F)c5NC4=O	6814
+C1CN(CCC1N2C(NC(=O)c3cc(ccc23)OCC(F)F)=O)C=O	1003
+C1CC(CCN1c2cc(ccn2)C(=O)N3CCc4cc(c(F)cc34)F)N5C(=O)Nc6ncccc56	43
+C1CN(CCC12OC(Nc3ccccc23)=O)C4CCN(CC4)c5nccnc5	6815
+C1CN(CCC1N2CCN(CC2)C)c3cc(OC)c([N+]([O-])=O)cc3C	34
+C1CN(CCC1N2CCN(CC2)C)c3c(cc4c(Nc5ccc(c(Cl)c5)Sc6n(C)ccn6)c(cnc4c3)C#N)OC	2074
+FC(F)(F)S(=O)(=O)c1ccc(cc1)-n2cc(cc2)CN3CCC(CC3)NC(COc4cccc(Cl)c4)=O	565
+c1cc(ccc1-n2cc(cc2)CN3CCC(CC3)NC(COc4cccc(Cl)c4)=O)Br	565
+c1(cc(cc(OCC)c1F)CN2CCC(CC2)NC(=O)c3cccc(OC(C)(C)C(OCC)=O)c3)OCC	48
+O=S(=O)(NC1CCN(CC1)C(=O)OCc2ccccc2)c3ccc(cc3)[N+]([O-])=O	66
+C1CN(CCC1Nc2c3nnc(C)n3nc(-c4cc5ccccc5n4Cc6ccccc6)c2)C	113
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C	10
+C1CC(CCN1c2ncccc2Br)Nc3ccc(cc3)F	43
+C1CN(CCC1Nc2ncc(C(=O)OC)cc2)C(Nc3ccccc3)=O	326
+C1CN(CCC1Nc2nccc(-c3n(C(C)C)c(nc3)C)n2)CCc4ccccc4	28
+C1CN(CCC1Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2)C(C)=O	58
+c1ccn(c1)-c2c(CN3CCC(CC3)Nc4nc(NCCCN(C)C)nc5ccccc45)cccc2	48
+c1(cc(cc(OCC)c1F)CN2CCC(CC2)Nc3nc(NCCO)nc(OC)n3)OCC	48
+C1CC(CCN1CC(F)(F)c2ncc(C(F)F)cc2)Nc3ncnc4n(S(=O)(=O)c5ccc(cc5)C)ccc34	1645
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1-c4nnc(o4)NC5CCN(CC5)S(=O)(=O)C	112
+C1CN(CCO1)c2nc(cc(N)c2)N3CCC(CC3)O	43
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(c4C(=O)N(C(N5CCC(CC5)O)=Nc4o3)C)-c6ccccc6	6816
+CC(C)(C)[Si](C)(C)OC1CCNCC1	19
+CC(C)(O)c1c2ncc(-c3ccnc(NC4CCC(CC4)C(N5CCC(CC5)O)=O)n3)n2ccc1	10
+CC(C)C(N1CCC(CC1)O)=O	10
+CC(C)C(N(C(c1cc(c(cc1)F)C)=O)C)CN2CCC(CC2)O	61
+C1CN(CCC1O)C(C23c4c(cccc4)C(c5c2cc(Cl)cc5)C3)=O	10
+C1CNCCC1Oc2ncc(cc2)Cl	91
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N(C2CC2)C3CCN(CC3)C(CCN4CCC(CC4)O)=O	1531
+FC(F)(F)c1ccc(cc1)C2CC(CN(C(N3CCC(CC3)O)=O)C2)NC(c4ccccc4)=O	468
+C1CN(CCC1O)C#N	739
+C1CN(CCC1O)Cc2ccccc2C#N	131
+C1CC(CCN1c2c(cc(cn2)[N+]([O-])=O)Cl)O	43
+C1CN(CCC1O)c2ccc(O)nn2	212
+C1CC(CCN1c2ccc([N+](=O)[O-])c(c2)OC)O	34
+C1CC(CCN1c2ncc(nc2)CC)O	2089
+C1CN(CCC1O)C(=O)COCCc2c(cccc2Cl)Cl	10
+C1CN(CCC1O)c2ccc(Br)cn2	323
+C1CC(CCN1C(c2ccc3-c4c(cc(C(N(C)c5c(Cl)cccc5)=O)s4)CCOc3c2)=O)O	3355
+C1CN(CCC1O)c2ccc(cn2)C(=O)NCC=3C(=O)c4ccc(cc4N(C=3)c5ccccc5)Cl	43
+c1cc(ccc1CC)C2CC(C(=O)OCC)CN(C(=O)N3CCC(CC3)O)C2	468
+c1cc(ccc1CN2CCC(CC2)O)C	171
+c1cc(ccc1C)S(=O)(=O)n2c(-c3cn(C)c4cc(OC)c(OC)cc34)cc5c(ccnc25)CN6CCC(CC6)O	171
+C1CN(CCC1O)c2nnc(Cl)cc2	212
+C1CC(CCN1C(C23c4c(cccc4)C(c5c2cccc5)C3)=O)O	10
+C1CN(CCC1O)C(=O)Nc2nccc(Oc3cc4c(cc3)n(C(NCCC(C)C)=O)cc4)c2	437
+C1CC(CCN1c2nccc(-c3cccc(n3)-c4n5c(ccc(N6C(c7cccc(F)c7)CCC6)n5)nc4)c2)O	361
+C1CN(CCC1O)c2nc3c(cccc3)cc2	286
+n1cc(cnc1N2CCC(CC2)O)Br	117
+n1cc(cnc1N2CCC(CC2)O)CC	117
+n1cc(cnc1N2CCC(CC2)O)CCC	117
+C1CC(CCN1CC(C)CN2C(COc3c2cc(cc3)C)=O)OCCC	183
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+C1CN(CCC1Oc2cc3n(-c4cc(OC(C)c5ccccc5Cl)c(C(OC)=O)s4)cnc3cc2)C	2690
+C1CNCCC1Oc2cc3c(cc2)ncn3-c4cc(c(C(N)=O)s4)OC(c5c(Cl)cccc5)C	1355
+CC(C)(C)OC(C(CS(=O)(=O)N1CCC(CC1)Oc2c(Br)cc(cc2)F)C3CCCC3)=O	112
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+c1cc(ccc1CN2CCC(CC2)c3nnc([nH]3)-c4cnc(cc4)OC)-c5c(cc6c(ccnc6O)n5)-c7ccccc7	48
+C1CN(CCC1c2nccnc2F)C(C)=O	58
+C1CN(CCC1c2c(c(ccc2)Cl)Cl)CCCCOc3cc4c(cc3)scn4	28
+c1cc(ccc1)C(N2CCC(CC2)c3c4cc(-c5ccccc5)nc(C(N)=O)c4[nH]c3)=O	115
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+C1CC(CCN1c2cc(C(=O)OC)nc(n2)Cl)c3n[nH]c4ncccc34	54
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+O=S(=O)(C)N1CCC(CC1)c2cc3c(nnc(c3Nc4c(cc(cc4)C)F)C(N)=O)cc2OC	112
+c1ccccc1CN2CCC(CC2)c3ccc(c(C(=O)N)c3)Cl	131
+c1cc(ccc1)COc2cc(ccc2C3CCN(CC3)C(=O)Nc4ccccn4)OCc5ccccc5	468
+C1CC(CCN1)c2cccc3c2C(C(N3)=O)=Cc4[nH]c(C)cc4C	292
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+CC(C)(C)OC(NCCN(CCCCCCN1CCC(CC1)c2ccccc2)Cc3ccccc3OC(C)(C)C)=O	28
+CC(C)(C)OC(Nc1ncc(CN2CCC(CC2)c3ccccc3)s1)=O	3696
+C1CN(CCC1c2ccccc2)C(=O)C3C4(c5ccccc5CCC4)CN(C3)Cc6ccccc6	10
+c1cc(ccc1N2CCC(CC2)c3ccccc3)S(=O)(=O)NC4C(=O)N(OCc5ccccc5)CC=CC4	34
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+C1CN(CCC1c2ccccc2)Cc3ccc4c(n3)ccc([N+](=O)[O-])c4	596
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+C1CN(CCC1c2nc(C(N(C3c4c(cccc4)CCC3)C)=O)cs2)C(Cn5c(cc(CC)n5)CC)=O	10
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+c1ccccc1-c2c(-c3ccc(cc3)CN4CCC(CC4)n5c6c(nc5C)cccc6)nc(N)c(c2)[N+]([O-])=O	48
+C1CC(CCN1CCc2cc3NC(CCc3cc2OC)=O)n4ccc5c4cc(C(=O)N)cc5	61
+C1CN(CCC1n2ccc3c2cc(cc3)C(N)=O)CCc4c(OC)ccc5c4cccc5	61
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+O=S(=O)(N1CCCNCC1)c2c3ccnc(c3ccc2OC)Cl	2691
+c1(cccc(Cl)c1Cl)N2CCCNCC2	79
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+C(C)N1CCCNCC1	15
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+C1CN(CCS1=O)c2c([N+](=O)[O-])c(nc(n2)N3CCNCC3)OCC	3625
+C1CNCCN1c2c(F)c3N4C(=C(C(=O)OCC)C(c3cc2F)=O)SC4C	34
+CC(C)(C)OC(N1CC(CC1C(N2CCNCC2)=O)N(C(C)=O)C3CCC(C)(C)CC3)=O	10
+CC(C)(C)OC(=O)C1C(N(CC)c2c(CC1)cc(c(c2)OC)N3CCNCC3)=O	79
+CC(C)(C)[Si](C)(C)N1CCNCC1	6820
+CC(C)(C)c1nc(cc(C2CC2)n1)N3CCNCC3	54
+CC(C)(C)c1nc(cc(n1)N2CCNCC2)C3CCC3	54
+CC(C)(C)c1nn2c(N3CCNCC3)c(-c4ccccc4)c(C)c(C#N)c2n1	6821
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+CC(C)CCNC(=O)c1nnc(N2CCNCC2)cc1	212
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+CC1(C)CCCC(C)(C)N1c2nc(N3CCNCC3)cc(N4CCCC4)n2	54
+O=S(=O)(n1c(ncc1)N2CCNCC2)N(C)C	1811
+C[Si](C)(C)CCOCn1c(Br)c(Br)nc1N2CCNCC2	1811
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+C1CN(CCN1)c2nc(c3c(ccc(c3)Cl)n2)NN	549
+C1CNCCN1c2c3c(cc(cc3)Cl)on2	2573
+C1CN(CCN1)c2ccnc3cc(Cl)ccc23	264
+C1CN(CCN1)c2nc(Cl)ccc2	43
+FC(F)(F)Oc1cc2ccc(nc2cc1)N3CCNCC3	286
+FC(F)(F)S(=O)(=O)N1CCNCC1	6822
+C1CNCCN1c2c(C(=O)C)cc(Cl)c3cccnc23	1563
+FC(F)(F)c1cc(C(N2CCNCC2)c3ccccc3)ccc1	6823
+C1CNCCN1Cc2ccc3c(OC(F)(F)O3)c2	48
+C1CNCCN1c2sc(C#N)c(C)n2	641
+C1CN(CCN1)Cc2cccc(N=C3SC(=CN3COC)Br)n2	6824
+C1CNCCN1c2ccc(cc2N)[N+]([O-])=O	34
+C1CNCCN1CC(O)COc2c(OC)cccc2	170
+C1CNCCN1c2c(cccn2)OC	43
+C1CNCCN1c2ncc(Cl)cc2OC	323
+C1CN(CCN1)c2nccc(OC)c2	43
+C1CN(CCN1)c2ccc(S(=O)(=O)C)c(NC3CCCc4c(ccc(OC)c34)OC)c2	34
+C1CN(CCN1)CCC#C	3939
+C1CN(CCN1)c2cccc3n(ccc23)S(=O)(=O)c4c(C)cccc4	1578
+C1CNCCN1CCCC(c2c3cc(ccc3[nH]c2)F)=O	53
+C1CN(CCN1)c2sc(C(OC)=O)cn2	641
+C1CNCCN1c2nc(C)cc(C)c2	43
+C1CNCCN1c2cc(Cl)nnc2Cl	2558
+C1CNCCN1c2c3c4N(CCC3)C=C(C(=O)c4cc2)C(O)=O	202
+C1CNCCN1CCCCCC(=O)Nc2cc(OC)cc3c2nccc3C	28
+C1CNCCN1c2c(cc(OC)c(F)c2)F	79
+C1CN(CCN1)c2nc(c3c(c4c(cc(Br)cc4OC)[nH]3)n2)OCC	549
+C1CN(CCN1)c2noc3c2cc(cc3)C	2573
+C1CNCCN1c2c3c(ccc(C)n3)cc(Br)c2	6825
+C1CN(CCN1)CCCOc2cc(OC3CCOC3)c4c(ncnc4c2)Nc5cc(c(F)cc5)Cl	53
+C1CNCCN1c2ncc3ccccc3c2	43
+C1CNCCN1c2ccc(c(F)c2)C#N	34
+C1CNCCN1c2sc3c(n2)ccc(OC)c3	1912
+C1CNCCN1c2nc3ccc(cc3s2)[N+]([O-])=O	1912
+C1CN(CCN1)c2ncnc3ccc(nc23)-c4ccc(OC)c(C)c4	3940
+C1CNCCN1CCOc2c(cc(F)cc2)F	28
+C1CN(CCN1)Cc2c(F)cc(F)cc2	171
+C1CNCCN1C2=C(C(=O)N(C)c3ccc(cc23)F)C#N	1636
+C1CN(CCN1)c2c3ccccc3c([N+]([O-])=O)cn2	43
+C1CNCCN1c2nc3ccccc3cn2	549
+C1CN(CCN1)c2ccc3cc(OC)ccc3n2	286
+C1CN(CCN1)c2cnc(cc2)[N+]([O-])=O	244
+C1CN(CCN1)C(=O)Nc2cc(Cl)c(Cl)cc2	326
+C1CN(CCN1)c2cc(NCCNC(C)=O)nc(n2)-c3ccccc3	54
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCNCC4	1499
+c1cc(ccc1)C2=[N+](c3ccc(cc3N4CCN=C24)N5CCNCC5)[O-]	34
+C1CNCCN1c2nc(c3nc(Cl)c(NCc4ccccc4)nc3n2)N5CCC5	117
+c1cc(ccc1)S(c2ccc(cc2)Cc3csc(N4CCNCC4)n3)=O	641
+c1cc(ccc1S(=O)(=O)Nc2ncncc2)N3CCNCC3	79
+c1cc(ccc1N2CCNCC2)C(=O)OCC	34
+c1cc(ccc1Cl)-c2ccc(cc2)C(C)N3CCNCC3	1148
+C1CC(CCN1C)C(N2CCNCC2)c3ccc(cc3)F	1148
+C1CN(CCN1)C(c2ccc(cc2)Cl)c3ccccc3	2073
+c1cc(ccc1N2CCNCC2)C(=O)N	34
+C1CN(CCN1)c2nc(c(C(=O)N)cc2)Nc3ccc(cc3)C(N4CCOCC4)=O	43
+C1CN(CCN1)c2ccc(cc2)C(NCC)=O	34
+c1cc(ccc1F)CN2C(=O)C(=C(c3cc(C)ccc23)N4CCNCC4)C#N	1636
+C1CN(CCN1)C2=C(C#N)C(=O)N(Cc3ccc(cc3)F)c4ccccc24	1636
+C1CNCCN1c2ccc3c(c(ccc3)Br)n2	286
+C1CN(CCN1)CC2Oc3c(cccc3)C2	183
+C1CN(CCN1)c2ccc(C(=O)c3ccccc3C(OC)=O)cc2[N+]([O-])=O	202
+c1ccccc1CN2c3ccc(Cl)cc3C(N4CCNCC4)=C(C2=O)C#N	1636
+c1ccccc1Cc2c3ccccc3c(nn2)N4CCNCC4	212
+c1ccccc1Nc2c(ccc(c2)N3CCNCC3)[N+]([O-])=O	79
+O=S(=O)(N1CCNCC1)c2ccccc2	92
+c1ccccc1Sc2c(cc(cc2)N3CCNCC3)[N+]([O-])=O	34
+C1CNCCN1c2ccn3ncc(Br)c3n2	790
+C1CNCCN1c2cc(nc(C)n2)Nc3sc(C(Nc4c(C)cccc4Cl)=O)cn3	54
+C1CNCCN1Cc2nnc3nc(N)nc(c3n2)N	894
+C1CN(CCN1)CC(=O)Nc2cccc(-c3cnc4c(n3)cccc4)c2	224
+c1cc(ccc1N2CCNCC2)-c3cnc(nc3)N	79
+CC(C)(C)OC(=O)NC(C(=O)N1CCN(CC1)C(C(CC(C)C)NC(=O)c2sc3c(cccc3)c2)=O)CO	10
+CC(C)(C)OC(N1Cc2ccc(cc2CC1)CN3CCN(CC3)C(C4CCOCC4)=O)=O	48
+C1CN(CCN1CC(O)CCl)C(C2CCCO2)=O	170
+C1CN(CCN1c2nc3c(nc2)cccc3)C(=O)Nc4ccccc4C(OC)=O	1322
+C1CN(CCN1C(OCCCC)=O)C(=O)CNC(=O)OCc2ccccc2	10
+CC(C)(C)OC(=O)N1CCN(c2ncc(N3CCN(CC3)C(=O)OCc4ccccc4)cc2)c5ccccc15	244
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)C(OCc2ccccc2)=O	28
+CC(C)(C)OC(=O)NC(C(=O)N1CCN(CC1)C(OCc2ccccc2)=O)CC(C)C	10
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)C(N3CCN(CC3)C(OCc4ccccc4)=O)=O	30
+Cc1cccc(C)c1NC(=O)CCN2CCN(CC2)C(OCc3ccccc3)=O	3941
+O=S(=O)(Cc1c(ccc(N2CCN(CC2)C(OCc3ccccc3)=O)c1)[N+](=O)[O-])c4cccc5ccccc45	34
+C1CN(CCN1C(C)C)C(=O)c2c3c(c(c[nH]3)CN4CCOCC4)ccc2	85
+CC(C)(C)OC(Nc1cc(C)cc(CN2CCN(CC2)C(C)=O)c1)=O	48
+C1CN(CCN1C(C)=O)c2ccc([N+](=O)[O-])c(c2F)OC	34
+C1CN(CCN1C(C)=O)c2cc(ncc2)Nc3ncc(-c4cc(C(=O)O)cnc4)s3	264
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCC(N5CCN(CC5)C(=O)C)C)CC2	85
+C1CN(CCN1C(C)=O)c2cc(C)c(N)c([N+](=O)[O-])c2	79
+C1CN(CCN1C(C)=O)Cc2ccnc(c2C)Cl	171
+C1CN(CCN1C(C)=O)C(=O)c2cc(ccc2)-c3c4cc(ccc4ncn3)Br	30
+C1CN(CCN1c2cc(c([N+](=O)[O-])cc2)C#N)C(C)=O	34
+C1CN(CCN1C(C)=O)c2ccc(nc2)[N+]([O-])=O	244
+C1CN(CCN1c2cc(C)c([N+]([O-])=O)cc2)C(C)=O	34
+C1CN(CCN1c2cc(c([N+]([O-])=O)cc2)Nc3ccccc3)C(C)=O	202
+c1cc(ccc1C=C)N2CCN(CC2)C(C)=O	79
+c1cc(ccc1N2CCN(CC2)C(C)=O)C=O	34
+C1CN(CCN1C(=O)C)c2ccc(cc2)N3C4CN(CC4CC3)C	79
+C1CN(CCN1C(=O)C)c2cc(c(CN3CCCCN(S3(=O)=O)c4ccccc4)cc2)F	79
+C1CN(CCN1Cc2cc(Cl)nc(Nc3ncc(C#N)s3)c2)C(=O)NC	171
+C1CN(CCN1C(=O)NC)Cc2c(cnc(Nc3ncc(C#N)s3)c2)C	171
+c1cc(ccc1Oc2cccc(CN3CCN(CC3)C(=O)Nc4noc5c4cccc5)c2)Cl	48
+C1CN(CCN1c2ncnc3c2CCN(Cc4ccccc4)CC3)C5CCC5	54
+C1CN(CCN1C2CCC2)C(=O)OC3CCN(CC3)c4nnc(O)cc4	1011
+C1CN(CCN1c2nc(N)ccn2)C3CCCC3	117
+C1CCCCC1N2CCN(CC2)CCCCn3c4ccccc4nn3	53
+C1CN(CCN1C2COC2)c3c(cc([N+]([O-])=O)cc3)F	34
+C1CN(CCN1CCN2c3c(cccc3)NC2=O)C4Cc5ccc(OC)cc5Sc6c4cc(SC)cc6	53
+C1CN(CCN1CC(=O)c2cc(OC)c(cc2)OC)C=3C(=O)C=CC=CC=3	676
+C1CN(CCN1C(C23CCC4(C(CCC5C6(C(CCC45C)C(C)(C)C(OC(=O)C)CC6)C)C2C(C(C)=C)CC3)C)=O)CC	58
+C1CN(CCN1CC)c2nccc([N+]([O-])=O)c2	43
+FC(F)(F)c1cc(ccc1C(N2CCN(CC2)CC)=O)N	30
+C1CN(CCN1CC)CC(=O)Nc2nccc(c2)Oc3ccc(c([N+](=O)[O-])c3)NC	224
+C1CN(CCN1CC)c2c(C=O)c(ccc2)Cl	34
+C1CN(CCN1c2cc(Cl)c(cc2)C=O)CC	34
+C1CN(CCN1c2cccc(N(C(C)=O)C)c2)CC	79
+C1CN(CCN1CC)c2cc(C#N)c3c(C(N(C=N3)c4cc(C(=O)OC)ccc4C)=O)c2	560
+C1CN(CCN1CC)c2nc3c(cccc3)c(C)c2	286
+C1CN(CCN1CC)C(=O)OCc2cnc(C)cc2	1011
+C1CN(CCN1S(=O)(=O)c2sc3cc(ccc3c2)Cl)CC#N	1147
+C1CN(CCN1CC(COc2c(OC)cccc2)O)CC(Nc3c(cccc3C)C)=O	224
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N2CCN(CC2)CC(O)COc3cccc4[nH]c5c(cccc5)c34	92
+C1CN(CCN1CCOc2c(cc3c(c(Nc4cc(ccc4)Br)ncn3)c2)OC)CC(=O)OCC	28
+C1CN(CCN1C(c2ccccc2)=O)CC(=O)OCC	115
+C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC	61
+C1CC1CN2CCN(CC2)C(c3ncc(cn3)Br)=O	2090
+C1CNCCN1CCCCc2c3cc(F)ccc3[nH]c2	1283
+CC(C)(C)OC(N1CCN(CC1)CCCC(c2c3cc(ccc3[nH]c2)F)=O)=O	23
+C1CNCCN1CCCCCCNc2c3nccc(C)c3cc(OC)c2	15
+c1cc(ccc1CBr)C(=O)N2CCN(CC2)CCCCCCCCCCCCCCCCCC	115
+C1CN(CCN1C(=NC#N)SC)CCCCCCNc2c3nccc(C)c3cc(OC)c2	6826
+C1CN(CCN1CCCNC(C2CCCCC2)=O)c3nc(ccc3)[N+](=O)[O-]	43
+CC(C)(C)OC(N1CCN(CC1)CCCO)=O	23
+C1CN(CCN1C=O)CCN	6827
+FC(F)(F)c1[nH]c2c(c(OCCN3CCNCC3)ccc2)n1	1640
+C1CNCCN1CCOc2cccc(c2N)N=[N+]=[N-]	0
+C1CNCCN1CCOc2c(c(N)ccc2)N	912
+C1CN(CCN1CCc2ccc(cc2)Cl)C(c3ccc(cc3)[N+](=O)[O-])=O	30
+c1cc(ccc1CCN2CCN(CC2)CC(c3ccc(cc3)[N+](=O)[O-])=O)[N+]([O-])=O	676
+C1CN(CCN1C(CCc2cc(c(cc2)N(C)c3ccc([N+](=O)[O-])cn3)OC)=O)Cc4ccc5OCOc5c4	1857
+C1CN(CCN1Cc2cc3OC(F)(F)Oc3cc2)C(=O)Nc4cccnc4	437
+C1CNCCN1Cc2cc(-c3oc4c(cccc4C(=O)N)n3)ccc2	2692
+C1CN(CCN1CC#N)Cc2n(CCOCC)c3ncccc3n2	1321
+C1CN(CCN1Cc2cc3ccccc3cc2)Cc4nnc5c(c(N)nc(N)n5)n4	131
+CC(C)(C)OC(=O)N1CCN(CC1)N	23
+O=S(=O)(N1CCN(CC1)Cc2sc3c(c2)c(nc(Cl)n3)N4CCOCC4)C	509
+c1cc(ccc1N2CCN(CC2)S(=O)(=O)C)C(c3ccccc3C)CC(=NO)c4ccnc(C)c4	79
+O=S(=O)(C)N1CCN(CC1)C(=O)C(CCC(=O)OC)NC(=O)c2ccc(cc2)F	10
+c1cc(ccc1)-c2nn(CC(=O)N3CCN(CC3)S(=O)(=O)C)c4c2c(c(nn4)-c5ccccc5)Cl	10
+O=S(=O)(N1CCN(CC1)Cc2cc3c(C(Br)=CN(C3=O)C)o2)C	2693
+O=S(=O)(CC)N1CCN(CC1)c2cnc3N=CN(C(c3n2)=O)C	2089
+C1CN(CCN1S(=O)(=O)N)S(=O)(=O)CC	2694
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)CC	183
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)C(=O)c3ccccc3	115
+C1CN(CCN1)c2[nH]c(cc2C(=O)N)-c3ccnc(c3)Cl	1869
+CC(C)(C)OC(N1CCN(CC1)c2c3c(n[nH]c3)ncc2-c4ccccc4)=O	23
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4c(cc([N+]([O-])=O)cc4)C#N	1109
+C1CNCCN1c2ccccc2CO	49
+c1cc(ccc1C(C)C)CC(N2CCN(CC2)c3c(c(ncn3)N)C=NOCC)=O	10
+C1CNCCN1c2c(F)cc3C(=O)C(C(O)=O)=C4SC(C)N4c3c2F	108
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2c(N(S(=O)(=O)C)C)cccc2)Cc3ccc(cc3)Cl)=O	10
+C1CN(CCN1C(=O)C)c2c(nccn2)OC3CCN(CC3)c4ccc5ccccc5n4	58
+CC1(C)C(Nc2ccc(cc2C1)C(=O)OCC)c3cc(N4CCN(CC4)c5c(cc(C)cc5)C)ccc3	79
+CC1(C)CC(c2cccc(N3CCN(CC3)c4c(cc(C)cc4)C)c2)Nc5ccc(cc15)C(OCC)=O	79
+CC(C)(C)c1ccc(cc1)C(CCCN2CCN(CC2)c3cc(F)c(OC)cc3F)=O	53
+c1cc(ccc1)C(=O)CCN2CCN(CC2)c3cc(F)c(OC)cc3F	1644
+C1CN(CCN1)c2c(F)cc3c(NC(=S)N3)c2	1357
+C1CN(CCN1C(c2c(C)onc2-c3ccccc3OC)=O)c4cc(N)c(cc4Cl)[N+](=O)[O-]	2560
+C1CN(CCN1c2c(cc(cc2)[N+](=O)[O-])Cl)C(C(C)C)=O	58
+C1CN(CCN1c2ccccc2OC)CCC(=O)OCC	1877
+C1CN(CCN1CCC#N)c2ccccc2OC	987
+C1CN(CCN1)c2cc([N+]([O-])=O)ccc2OC	31
+C1CN(CCN1C(=O)CCc2c([nH]c3ccc(cc23)Cl)-c4ccc(cc4)Cl)c5c(OC)cccc5	10
+c1cc(ccc1C2(CCC2)C(N3CC(CN4CCN(CC4)c5c(OC)cccc5)CCC3)=O)Cl	123
+FC(F)(F)c1ccc(cc1)-c2nn(c3c2CN(CC3)S(=O)(=O)C)CCCN4CCN(CC4)c5c(cccc5Cl)[N+](=O)[O-]	61
+C1CN(CCN1CCC(C(=O)N2CCCCCC2)c3ccccc3)c4c5cc([nH]c5ccc4)C(OC)=O	53
+C1CN(CCN1c2noc3cc(ccc23)Cl)CCCCOc4cc5NC(=O)CCc5cc4	53
+CC(C)(C)OC(N1CCN(CC1)c2cc(Br)cc3c2nc(C)cc3)=O	23
+c1cc(ccc1CCN2CCN(CC2)c3cccc4c3nc(CCC(=O)OC)cc4)OCCCN5CCCCCC5	123
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(nc5c4cc(CC)s5)Cl)=O	115
+C1CN(CCN1c2ccc3c4c2CCCN4C=C(C3=O)C(O)=O)S(=O)(=O)C	112
+C1CN(CCN1c2cccc3c2ccc(C)n3)CCc4cccc([N+](=O)[O-])c4	123
+C1CN(CCN1c2c3c(nc(cc3)C)ccc2)CCc4cc(ccc4F)Br	61
+C1CN(CCN1c2c3ccccc3sn2)C(=O)c4c(ccc(c4)S(=O)(=O)C)OC(C)C	30
+CC1(C)CC(Nc2c(cc(cc12)CCCN3CCN(CC3)c4nsc5c4cccc5)CC)=O	53
+c1cc(ccc1)C(=O)N2C(N(C3CCCCC23)CCCCN4CCN(CC4)c5nsc6ccccc56)=O	28
+C1CN(CCN1CCc2cccc(C)c2[N+](=O)[O-])c3nsc4c3cccc4	236
+C1CN(CCN1CCc2c(cccc2)[N+]([O-])=O)c3nsc4c3cccc4	236
+C1CN(CCN1c2nsc3c2cccc3)CCc4ccc(cc4)[N+]([O-])=O	236
+C1CN(CCN1c2cc(cc3c2nccc3)C)CCc4c5c(oc4)cc(cc5)OC	183
+C1CN(CCN1)c2cc(Cl)nnc2N(C)C	212
+C1CN(CCN1CCCCC)c2c(C=3CCC(C)(C)CC=3)ccc(OC)c2	61
+C1CN(CCN1c2cc(c(cc2)NS(=O)(=O)C)C)CCc3ccc(cc3)NS(=O)(=O)C	123
+C1CN(CCN1c2cccc(-c3c(F)cc(F)cc3)c2)C(Nc4nnccc4)=O	2076
+C1CN(CCN1c2cc(ccc2)OC)Cc3ccc(cc3)[N+]([O-])=O	171
+C1CN(CCN1c2cccc(OC)c2)C(=O)c3c(-c4cc(ccc4)F)noc3N	2560
+C1CN(CCN1c2c(OC)ccc(-c3ccccc3)c2)C(=O)Nc4cc(c(cc4OC)C)C	437
+C1CN(CCN1C(Nc2c(C)c(C)no2)=O)c3nccc(c3)-c4c(F)c(F)ccc4	2076
+CC(C)(C)OC(c1c(-c2ccc(cc2)Cl)c3sc(nc3cc1C)-c4ccnc(N5CCNCC5)c4)C(OCC)=O	6828
+CC(C)(C)OC(N1CCN(CC1)c2ccc3[nH]nc(S(=O)(=O)c4c5c(ccc4)cccc5)c3c2)=O	23
+C1CN(CCN1CCCCc2c3c(ccc(C#N)c3)[nH]c2)c4cc5cc(C(=O)OC)oc5cc4	236
+C(C)N(CC)C(C(c1ccccc1)N2CCN(CC2)c3c(cc(cc3)C=O)F)=O	6829
+C1CN(CCN1C(CN2C(Oc3cc(ccc23)O)=O)=O)c4ccc(Cl)c(c4)OC	10
+C1CN(CCN1C(=O)Oc2ccc(cc2)[N+]([O-])=O)c3ccc(F)cc3F	66
+C1CN(CCN1S(=O)(=O)C)c2ccc(cc2)-c3c4c5c(scc5)c(O)nc4ccc3OC	112
+C1CN(CCN1c2nnc(cc2)Cl)c3ccc(cc3)N4C5CN(CC5CC4)C	212
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)O)=O	23
+C1CN(CCN1c2c(N)cc(cc2)[N+]([O-])=O)C(=O)c3ccccc3	115
+C1CN(CCN1c2cccc3c2cccc3)CCc4ccc5NC(Cc5c4)=O	53
+C1CN(CCN1CCc2c3ccc(cc3oc2)OC)c4c5ncccc5ccc4	183
+CC(C)(C)OC(NC(Cc1ccc(cc1)Cl)C(=O)N2CCN(CC2)c3ccccc3CN(C)C)=O	10
+c1cnccc1OCc2c(N3CCNCC3)cccc2	260
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccccc2[N+]([O-])=O	23
+C1CN(CCN1c2c(cccc2)[N+]([O-])=O)Cc3ccccc3	131
+C1CN(CCN1c2nc3c(Br)cnn3cc2)C(=O)OC(C)C	66
+C1CN(CCN1c2cc(C)cc(n2)C)c3ccc(c(C)c3)[N+](=O)[O-]	202
+C1CN(CCN1c2nc3c(c(N)n2)cc(OC)c(OC)c3)C#N	739
+C1CNCCN1c2nc3c(nc(c(N4CCS(CC4)=O)n3)SCCC)c(N5CCOCC5)n2	3483
+CC(C)c1cc(nc(n1)N2CCN(CC2)S(=O)(=O)c3ccc(cc3)OC)Nc4ccc(cc4)C	92
+CC(C)Oc1c(cc(S(=O)(=O)C)cc1)C(N2CCN(CC2)c3nc4c(cc([N+]([O-])=O)cc4)s3)=O	30
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3nc(OC4CC(C=C4)OC5OCCCC5)c6ccccc6n3	66
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncc3c(c2)cccc3	23
+C1CN(CCN1c2ncccc2[N+]([O-])=O)C(OCc3ccccc3)=O	66
+CC(C)(C)OC(N(C)CCN1CCN(CC1)c2c(nccn2)Cl)=O	61
+C1CN(CCN1c2c(OC)cncn2)CCCc3c4c(ccc([N+](=O)[O-])c4)[nH]c3	28
+CC(C)c1onc(N2CCN(CC2)c3c(C#N)cc(cn3)Br)n1	43
+C1CN(CCN1CCCCc2c3cc(ccc3[nH]c2)C#N)c4sc(C#N)c(n4)C	236
+CC(C)Oc1c(cc(S(=O)(=O)C)cc1)C(N2CCN(CC2)c3sc4c(n3)ccc(OC)c4)=O	30
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2nc3c(cc(cc3)C(OC)=O)s2)Cc4cccs4)=O	10
+C1CN(CCN1c2scc(-c3ccccc3F)n2)C(OCC(C)C)=O	66
+C1NCCN(CCNCCNC1)CC(=O)NCc2nc3c(c4ccccc24)cccc3	224
+C1CNCCNCCNCCN1Cc2ccc(cc2)[N+](=O)[O-]	131
+C1CNCCNCCN(CCN1)Cc2ccc(cc2)N	0
+C1CS(=O)(=O)CCN1C(c2n(c3c(cc(cc3)O)c2)C(C)C)=O	147
+c1cc(ccc1-c2c(oc(n2)-c3cccc(Cl)c3F)C4CCCCC4C(=O)OC)N5CCS(=O)(=O)CC5	79
+C1CN(CCS1(=O)=O)C(=O)c2ccc(OCc3c(noc3C)-c4ccc(cc4)F)nc2	211
+C1CN(CCS1(=O)=O)C(=O)Oc2ccc(cc2)[N+]([O-])=O	66
+c1cc(ccc1Cl)-c2cc(C(=O)N3CC[Si](C)(C)CC3)c(C)n2-c4ccc(cc4)Cl	211
+C1CCC2c3c(F)ccc4c3N(CCNCC4)C12	6830
+CC(C)(C)OC(N1CCc2occc2CC1)=O	23
+CC(C)(C)NC(N1Cc2c(C(=O)N)c(c(Br)n2CC1)-c3cc(ccc3)F)=O	384
+CC(C)(C)OC(=O)N1CCn2c(c(C(OCC)=O)c(-c3cccc(F)c3)c2Cl)C1	23
+c1ccccc1CC(N2CCCc3c2c4c(cn3)cccc4)=O	2052
+CC(C)(C)c1cc(c(CCO)cc1)C(C)(C)C	2589
+C(CCC)CCCCN1C(=O)C2(C(C)C(N(CCO)C(CC)(C)C2)(CC)C)NC1=O	170
+FC(F)(F)Oc1ccc(cc1)OC2CCN(CC2)CCO	170
+C(O)Cn1ccc2ccccc12	2695
+c1cc(ccc1C(OC)=O)COCCO	850
+c1cc(ccc1CCOC2OCCCC2)CCO	2589
+c1(CCO)cc(C)cs1	6831
+C1COC(O1)(C2OCC(N(Cc3ccccc3)C2)=O)C	467
+C1COC(O1)(C)Cc2cccc(NC(=O)NCc3ccccc3)c2	406
+C1COC(O1)(C)Cc2cc(N)ccc2	0
+c1cc(ccc1)CNC(=O)Nc2cc(ccc2)CC(=O)C	97
+C1COC(O1)(C)c2cc(CO)ccn2	2696
+O=S(=O)(C)OCc1cc(C2(OCCO2)C)ncc1	7
+C1COC(O1)(C)c2ccc(s2)CC(O)=O	459
+c1cc(ccc1)CN2CC(OCC2)C3(OCCO3)C	15
+C1COC(O1)(COc2cc3c(cccc3)cc2)C=CC4C(O)CC5OC(CC45)=O	682
+O1CCOC1(C=CC2C(OC3CCCCO3)CC4OC(O)CC24)COc5cc6c(cccc6)cc5	2697
+O1CCOC1(CC2(CC2)O)c3c(ccc(c3)Br)F	6832
+O=C(CC(CC(OC)=O)O)C	97
+C1COC(O1)(C)CCC#CCCCC#N	913
+O1CCOC1(C)CCC(=O)O	3
+C1COC(O1)(CCC)CCOc2ccnc(CS(c3nc4ccccc4[nH]3)=O)c2C	172
+c1ccccc1[Si](c2ccccc2)(OC3CC4OC(CC4C3CCC5(OCCO5)COc6cccc(Cl)c6)=O)C(C)(C)C	328
+C1COC(O1)(CCCCn2ncc([N+](=O)[O-])c2)C	338
+C1COC(O1)(CCCCn2cc(N)cn2)C	209
+O1CCOC1(C)CCCNc2c([N+]([O-])=O)cnc3ccccc23	105
+c1cc(ccc1F)C(=O)CCCN2CC(CCC2)CO	1367
+CC(C)(C)OC(N(CC(=O)OCC)CCCC1(OCCO1)C)=O	663
+O1CCOC1(CCOc2c(C)c(C)[n+]([O-])cc2)CCC	857
+C1COC(O1)(C=CC2C3C(OC(=O)C3)CC2OC4OCCCC4)COc5cc6c(cccc6)cc5	1646
+C1COC(O1)(c2cccc(CC3=NC(CO3)C(=O)OC)c2)C	3942
+C1COC(O1)(c2ccc(s2)CC3=NC(CO3)C(=O)OC)C	3942
+C1COC(O1)(C)c2ccc(s2)Cc3occ(C(=O)OC)n3	3943
+c1(Cl)cc2c(o1)ccc(c2)C(CC)=O	1367
+C1COC(O1)(c2cccc(Cc3occ(C(=O)OC)n3)c2)C	3943
+c1c(cc(Cc2occ(n2)C(=O)OC)cc1)C(=O)C	1367
+C1COC(O1)(C)c2cccc(CC(O)=O)c2	3
+CC(C)(C)OC(N1CC(C1)OCCO)=O	6833
+CC(C)(C)OC(Nc1cc(Cl)c(c(c1)Cl)OCCO)=O	2091
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCCO)CC2	2091
+c1(C=O)cccc(OCCO)c1	2091
+c1cc(ccc1OCCO)SC(CC)C	2091
+O=C(OCC)C(=Cc1cc(c(cc1)-n2cc(nc2)C)OC)CCCC=O	812
+O1CCOC1CCN(C(c2cc(-c3c(Cl)c(OC(F)F)n(n3)C)c(cc2Cl)Cl)=O)C	30
+COc1cc2c(cc1)C(=CC(=O)N2CC=O)C	812
+c12ncc(OC)cc1N(C(=O)C=C2)CC=O	812
+N1(C(c2cc(ccc2C=C1)C(=O)OC)=O)CC=O	812
+COc1cccc2c1C=CC(=O)N2CC=O	812
+O1C(c2c(cc(CC=O)cc2)C1)=O	812
+O1CCOC1c2ncc(F)cc2N	13
+CC(C)(C)OC(NCCOCCOCCOCCOc1cc(C2OCCO2)cc(OC)c1OC)=O	37
+C1COC(O1)c2cc(OCCOCCOCCOCCN)c(OC)c(c2)OC	18
+c1(C=O)ccc(Oc2ncc(nc2)C(=O)N)c(F)c1	494
+c1cc(ccc1C=O)-c2nnc(-c3ccccc3[N+](=O)[O-])o2	494
+OB(O)c1c(ncc(C2OCCO2)c1)F	2698
+O1CCOC1c2cc(C(C)(C)CO)ccc2	95
+COC(OC)C(O)(C)c1sc(C=O)nc1	6834
+O1CCOC1c2ncccc2N	13
+C1CC(CCC12OCCO2)(CC)CO	95
+C1CC(CCC1(C)O)=O	97
+O1CCOC12CCC(CC2)(C)OC	76
+C1CC(CCC1=O)(OC)Cc2ccccc2C	97
+C1COC2(O1)CCC(c3c(OCOC)cc(OCOC)cc3)=CC2	252
+C1CC(CCC1=O)C=C	97
+C1COC2(O1)CCC(CC2)C3CO3	553
+C1CC2(CCC1C(N(C)C)C#N)OCCO2	6835
+C1CC(CCC1CCO)=O	97
+c1ccccc1COCCC2CCC3(CC2)OCCO3	149
+C1CC(CCC1CO)=O	97
+C1CC2(CCC1COS(=O)(=O)C)OCCO2	7
+C1CC2(OCCO2)CCC1COCc3ccccc3	149
+C1CC(CCC1N(S(=O)(=O)c2ccc(cc2)Nc3nccc(Nc4ccc(cc4)F)n3)CCN5CCCC5)=O	97
+C1COC2(O1)CCC(CC2)N3C(C(CC3)Cc4c(Cl)cc(cc4Cl)OC)=O	1554
+C1CC(CCC12OCCO2)N(CC)C(OCc3ccccc3)=O	66
+C1COC2(CCC(CC2)Nc3[nH]ncc3)O1	3715
+C1COC2(CCC(CC2)OS(=O)(=O)C)O1	7
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(nc3)C4CCC5(OCCO5)CC4)ncnc12	1647
+C1CC(CCC1n2cc(cn2)I)=O	97
+C1CC(CCC12C(=C(c3c(ccc(c3)Br)C)C(=O)N2)O)=O	97
+c1cc(ccc1)C23c4c(CCC2C(C5(OCCO5)CC3)C)c(OC)nc(n4)-c6ccccc6OC	145
+C1COC2(O1)CCCCC2COCc3ccccc3	149
+c1ccccc1C=2CCN(CC3CCCC4(OCCO4)C3)CC=2	15
+C1COC2(O1)CC(NCC2)CN3CCCC3	15
+c1ccccc1COC(=O)NC2CCC3(OCCO3)CC2(C)C	101
+c1cc(ccc1F)C2CC3(OCCO3)Cc4sc(Nc5cc(c(-n6cc(nc6)Cl)cc5)OC)nc24	2522
+C1COC2(O1)CC=C(CC2)c3c(ccc(C(OC)=O)n3)F	128
+C1CC2(CCC1(N)C)OCCO2	102
+c1cc(ccc1C2(CCC(CC2)=O)CO)Br	97
+O1CCOC12CCC(CC2)Cc3c(cccc3)Cl	1028
+C1CC(CCC12OCCO2)C3CCC(CC3)c4c(cc(cc4)C5CCC(CC5)CCCCC)F	191
+C1COC2(CCC(CC2)C(CN=[N+]=[N-])O)O1	1648
+C1CC(CCC1=O)CC(=O)O	97
+C1CC(CCC1=O)N2C(=O)C(=C(n3ncnc23)CCC)Cc4ccc(cc4)-c5ccccc5C#N	97
+C1CC2(OCCO2)CCC1N3c4n(C(CCC)=C(Cc5ccc(cc5)-c6c(C7=NOC(=O)N7)cccc6)C3=O)ncn4	618
+c1(Cl)cc(cc(Cl)c1CC2C(N(C3CCC(CC3)=O)CC2)=O)OC	97
+C1CN(CCO1)C2CCC(CC2)=O	97
+FC(F)(F)C(=O)N(C(C)c1ccccc1)C2CCC3(OCCO3)CC2	520
+C1COC2(CCC(CC2)N(CCN3CCCC3)S(=O)(=O)c4ccc(cc4)Nc5nccc(Nc6ccc(cc6)F)n5)O1	92
+C1CC(CCC12OCCO2)c3c(cc(OCOC)cc3)OCOC	191
+C1CN(CCN1c2ccccn2)CC3CCCC4(OCCO4)C3	15
+C1COC2(O1)CC(C(N3CCC(=CC3)c4ccccc4)=O)CCC2	2699
+c1cc(ccc1)COCC2C(CCCC2)=O	97
+C1CN(CCC1=O)Cc2cc(c(cc2)F)F	97
+O1CCOC12CCN(CC2)c3nc4ccccc4n3Cc5ccc(cc5)F	505
+O1CCOC12CCc3c(sc4c3c(O)ncn4)C2	1868
+CC(C)C(NC(=O)OC)C(N1CC2(OCCO2)CC1C(=O)O)=O	4
+C1COC2(O1)COC(CCCC=O)(C)CCC2	24
+C1COC2(O1)CCCC(CCCC(C)=O)(C)OC2	86
+C1COC2(O1)COC(CCCC(O)C)(CCC2)C	2700
+C1COC2(O1)COC(OC2)(CCOc3ccnc(CSc4nc5ccccc5[nH]4)c3C)CC	3944
+C1COC2(O1)COC(OC2)(CC)CCOc3ccnc(CO)c3C	813
+C1COC2(O1)COC(OC2)(CCOc3c(C)c(CS(c4nc5ccccc5[nH]4)=O)ncc3)CC	172
+c1ccccc1COC(=O)NCc2nc(c3COCCc3n2)O	3945
+CC(C)(C)OC(n1cc(c2nccc(Cl)c12)C(NC3CCOCC3O)=O)=O	3946
+CC(C)(C)OC(n1c2c(c(C(NC3CCOCC3O)=O)c1)nccc2C)=O	3946
+CC(C)(C)OC(NCC1CCC(CC1)CNC(c2cc(nc3ccccc23)-c4cnc(cc4)OCC5COCC5)=O)=O	430
+O=S(=O)(OCC1COCC1)C	710
+c1cc(ccc1S(=O)(=O)OCC2CCOC2)C	36
+n1c(nc(Cl)c(C)c1NC2COCC2)Cl	40
+FC(F)(C)C(=O)NC(C)C(Oc1cc2cnn(-c3cccc(C(NC4COCC4)=O)c3)c2cc1)c5ccc(OC)nc5	2527
+C(=O)(OC1CCOC1)Cl	2701
+c1(COC2CCOC2)ncccc1	2702
+[N+]([O-])(=O)c1ccccc1OC2CCOC2	57
+c1cc(ccc1C=O)OC2CCOC2	20
+CC(C)(C)OC(NC1(CCOCC1)C#N)=O	37
+C1COCCC1(C#N)c2cc(cc(c2)F)Sc3ccc4c(ccc5cnc(C)n45)c3	1336
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(cc(C3(CCOCC3)C(=O)OC)cc2)C=4CCCCC=4	616
+c1cc(ccc1C2(CCOCC2)C(OC)=O)OCCCN3CCCC3	27
+C1COCCC1(CN)C	51
+c1cc(ccc1C2(CCOCC2)CCN)F	51
+C1COCCC1(C)CNc2cccc(n2)Br	182
+C1COCCC1(O)CNc2c3ccccc3ncc2[N+]([O-])=O	105
+O=S(=O)(C)OCC1(CCOCC1)F	7
+C1COCCC1(c2scc(COc3cc(Cl)cc4oc(-c5nc6n(nc(OC)s6)c5)cc34)n2)F	3947
+C1CC(CCO1)(CNc2c3ccccc3ncc2N)O	13
+C1CC(CCO1)(C2=CC=CC(=C=[N-])[N+]2=O)O	1649
+C1CC(CCO1)(C(=O)OC)c2cc(cc(OCc3ccc4c(c3)nc(cc4Cl)Cl)c2)F	22
+c1cc(ccc1)COc2cc(cc(F)c2)C3(CCOCC3)C=O	24
+C1COCCC1(C(=O)OC)c2cc(C3=CCCCC3)c(N)cc2	563
+C1CC(CCO1)(c2ccc(cc2)CCCNC(c3cccc4ccccc34)C)C(=O)NCC(=O)OC	188
+C1COCCC1(OC)c2cccc(COc3c4c(cc(c3)OC)oc(-c5nc6n(nc(C(C)F)s6)c5)c4)n2	1963
+C1COCCC1(O)c2cccc(n2)CN	421
+CC(C)(C)OC(=O)CNC(=O)C=1C(=O)C2(CCOCC2)c3ccccc3C=1O	3948
+c1cc(ccc1Cl)C=2C(NC3(CCOCC3)N=2)=O	6836
+C1COCCC1Cc2ccc(OC)cc2[N+](=O)[O-]	1028
+C1COCCC1(C)C#N	6837
+C1COCCC1CNC	6838
+C1COCCC1C(=O)c2sc(C(OC)=O)c(c2)N=CN(C)C	6839
+C1CC(CCO1)C(=O)c2cc3c(s2)C(=O)N(c4ccc(cc4)N5CCN(CCC5)C)C=N3	3949
+C1COCCC1C(C)Nc2nc(Br)c(Cl)cc2	395
+C1COCCC1C(C)Nc2cccc(Br)n2	182
+CC(C)(C)OC(=O)N(C(C(=O)NC(C1CCOCC1)C(=O)N2C(Cc3cccnc23)C(OCC)=O)C)C	207
+C1COCCC1C(N)C	18
+C1CC(CCO1)c2nc3cnc4cc(-c5c(noc5C)C)c(cc4c3n2C(COC)C)OC	6840
+C1CC(CCO1)C2c3ccccc3N(CC(N)=O)CC2	3950
+C1COCCC1C2c3c(NCC2)cccc3	15
+CC1(C)CC(C)(C)C=C(C1)c2c(N3CCN(CC3)CC4CCOCC4)cccc2F	61
+C1CC(CCO1)C(C2CC(OC)=C(c3c(C)cc(cc3C)Br)C2=O)O	6841
+C1COCCC1CN2c3ccccc3C4(c5cc(OC)ncc5OC4)C2=O	988
+c1cc(ccc1C=CC(=O)OC)C2CCCN2CCc3c(C)nn(c3C)CC4CCOCC4	338
+FC(F)(F)c1nc(ncc1NC(CC2CCOCC2)=O)Nc3cccc(Cl)c3	1616
+C1CC(CCO1)CC(c2ncc(cc2)SC)C(=O)CCC(=O)c3ccccn3	3711
+C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4	2605
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)c4ccc(-c5sc(cn5)C(O)(C)C(OC)OC)[nH]4	3951
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)c4ccc(-c5sc(C6OC(C)(C)OC6)cn5)[nH]4	3951
+c1cc(ccc1C(C)(C)O)-c2cnc3NC(=O)CN(CCC4CCOCC4)c3n2	1368
+FC(F)(F)c1c(C(=O)N(CC2CCOCC2)C)cnc(Nc3cccc(Cl)c3)n1	1369
+C1CC(CCO1)CN(C)C(=O)c2ccc3c(non3)c2	115
+C1COCCC1CNC(=O)c2cnc(cc2)N3C(C(c4ccc(cc4C)C#N)C=N3)=O	2477
+FC(F)(F)Cc1nc2cc(N(S(=O)(=O)c3ccccc3)C)ccc2n1CC4CCOCC4	953
+CC(C)(CC)C(Nc1cc(ccc1NCC2CCOCC2)NC(C)=O)=O	26
+C1COCCC1CNc2c(N)cc(cc2)NC(C)=O	0
+C1COCCC1CNc2c(N)cc(cc2)N(C)S(=O)(=O)c3ccccc3	0
+CC(C)(C)c1n(c2ccc(N(C(=O)C)CC)cc2n1)CC3CCOCC3	849
+C1CC(CCO1)Cn2c(nc3c2ccc(N(C(=O)C)CC)c3)C(C)(C)O	953
+C1COCCC1CNc2c(cc(cc2)N(C(C)=O)CC)N	0
+CC(C)(C)OC(=O)N(CC1CCOCC1)c2n3ncc(c3nc(Cl)c2)Br	1157
+c1cc(ccc1N2CCN(CC2)C3COC3)Nc4ncnc(-c5cc(c(cc5)OCC6CCOCC6)C#N)n4	57
+C1COCCC1COc2cc(ccc2)Br	885
+FC(F)(F)C(=O)NCC=Cc1cccc(OCC2CCOCC2)c1	858
+C1COCCC1Cc2c(cc(cc2)OC)N	0
+C1COCCC1Cn2c3c(nc2C(C)(C)CC)cc(cc3)N	106
+C1COCCC1Cn2c(nc3c2ccc(S(=O)(=O)n4ncc(c4)C(=O)NC(C)C)c3)C(C)(C)CC	597
+C1COCCC1Cn2c(nc3c2ccc(S(=O)(=O)n4cc(C(O)=O)cn4)c3)C(C)(C)CC	6842
+C1COCCC1Cn2c(nc3c2ccc(S(=O)(=O)n4ncc(c4)C=O)c3)C(C)(C)CC	3952
+C1COCCC1Cn2c3c(nc2C(C)(C)OC)cc(cc3)NCC	621
+C1COCCC1Cn2c(nc3c2c4c(nc3N)cccc4)CCl	461
+CC(C)(C)OC(N1CCN(CC1)c2c3ccncc3cc(n2)-c4ccnc(NC5CCOCC5)c4)=O	70
+CC(C)(OCC)c1c(CC2CCC(CC2)(F)F)n3c(n1)cc(cc3C)C(NC4CCOCC4)=O	14
+CC(C)NC(=O)C1CCN(CC1)c2c3c(cc(n2)-c4ccnc(NC5CCOCC5)c4)cncc3	70
+C1CC(CCO1)Nc2c3c(n(C(C)C)nc3C)nc(-c4cc(O)ccc4)c2C(=O)OCC	1594
+C1CC(CCO1)Nc2cc(-n3c4c(c(C)c3)C(CC(C)(C)C4)=O)ccc2C(N)=O	6843
+C[Si](C)(C)CCOCn1cc(C(NC2CCOCC2)=O)c(n1)-c3sc4c(CCCC4)n3	597
+C[Si](C)(C)CCOCn1c2c(c(NC3CCOCC3)nc(Cl)n2)c(-c4ccncc4)c1	974
+C1COCCC1NC(=O)c2nn(c(OCc3c(onc3-c4ccccn4)C)c2)C	658
+C1COCCC1NC(c2ccc(NCc3c(noc3C)CCCC)nc2)=O	56
+C1CC(CCO1)Nc2cc(nc3cc(nn23)C(=O)OCC)Cl	1005
+C1COCCC1Nc2nc(Cl)ncc2Br	40
+C1CC(CCO1)Nc2nc(N)nc(c2N)Cl	40
+C1COCCC1Nc2c(C#N)ccc(c2)-c3cccc4C(CCCc34)=O	60
+C1COCCC1Nc2ncc3C=C(c4cc(C(=O)NC5CC5)ccc4C)C(=O)N(C)c3n2	435
+C1COCCC1Nc2ncc3C=C(C(=O)N(C)c3n2)c4cc(-c5nnc[nH]5)ccc4C	785
+C1CC(CCO1)NCCCCn2c(nc3c2nc(nc3N)OC(CCC)C)OC	284
+C1COCCC1Nc2c(cc(cc2)C(=O)O)[N+]([O-])=O	60
+C1COCCC1Nc2c(cnc(-c3c4cnccn4nc3)n2)[N+]([O-])=O	40
+C1COCCC1Nc2c3cnn(CC)c3ncc2C(OCC)=O	1594
+c12-c3c(cccc3)C(c1cccc2)COC(NC(c4nc(c5c(Cl)cccc5c4)C(=O)NC6CCOCC6)C)=O	81
+C1COCCC1Nc2cc(ccc2C#N)F	60
+C1CC(CCO1)NC(c2cnc(OCc3c(noc3C)-c4ccccc4F)cc2)=O	1650
+C1CC(CCO1)NC(=O)c2c(Oc3ccc([N+]([O-])=O)cc3F)cc4cnn(C5OCCCC5)c4c2	14
+c1cc(ccc1)-c2noc(C)c2-c3oc(-c4c(OC)cc(cc4)NC5CCOCC5)nn3	60
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(cn3)C(NC4CCOCC4)=O)F	1650
+c1cc(ccc1F)-c2c(n(nn2)C)C#Cc3ccc(C(NC4CCOCC4)=O)cn3	56
+c1ccccc1CCCN2c3nc(ncc3N(C(=O)C(F)(F)C2)C)Nc4ccc(cc4OC)C(=O)NC5CCOCC5	14
+CC1(C)C(C)(C)OB(O1)c2cnc(N(C)C3CCOCC3)cc2	234
+C1COCCC1N(c2ncc(N)cc2)C	13
+C1COCCC1N(CC)c2c3c(ccc2)C(NCc4c(O)nc(C)cc4C(CC=CC3)C)=O	104
+C1COCCC1N(c2cccc3C(=O)NCc4c(nc(cc4C(C)CCCCc23)C)O)CC	460
+C1COCCC1N(CC)c2c3CC=CCC(C)c4c(CNC(c3ccc2)=O)c(nc(c4)C)OC	2463
+C1COCCC1N(c2c(CC=C)c(C(=O)NCc3c(nc(cc3C(CC=C)C)C)OC)ccc2)CC	14
+C1COCCC1N(c2c(c(C(O)=O)ccc2)CC=C)CC	1
+C1COCCC1N2c3nc(ncc3NC2=O)Nc4c(O)nccc4	104
+C1CC(CCO1)N2C(=O)C3(COCCN3c4c2cnc(Cl)n4)C	3719
+C1COCCC1N2CCN(C(Nc3ccc(Oc4cc(ncc4)-c5cn(nc5)C)cn3)=O)C2=O	3953
+FC(F)(F)S(=O)(=O)Oc1c2c(n(C3CCOCC3)n1)ccnc2OC	3801
+C1CC(CCO1)N2C(=O)N(C(=O)c3cc(CN)ccc23)Cc4ccc(OC)c(c4)OC	107
+C1CC(CCO1)N2c3c(N(C)C2=O)cnc4ccc(Br)cc34	3954
+C1COCCC1N(C)c2ccc(cn2)[N+]([O-])=O	323
+C1CC(CCO1)N2C(NCC2)=O	6844
+C1COCCC1NC(=O)c2cc(n(CC3CCCCC3)c2C)-c4cc(C(C)(C)O)c(cc4)-c5n(ncc5)C(C)C	6845
+CC(C)(C)c1c(ccc(c1)-c2n(CC3CCCCC3)c(C)c(C(=O)NC4CCOCC4)c2)O	3955
+C1CC(CCO1)N(CC)C(=O)Cl	2703
+C1CC(CCO1)Nc2c(ccc(c2)-c3c4c(ccc3)C(CCC4)=O)C(N)=O	216
+C1COCCC1Nc2c(CNC(CCC(O)=O)=O)c(nc3c2cnn3CC)CC	4
+C1COCCC1N2C(C3N(CCOC3)c4nc(Cl)ncc24)=O	6846
+C1COCCC1Nc2ccc(cc2N)C(O)=O	0
+C1COCCC1Nc2nc(ncc2N)-c3cnn4ccncc34	193
+CN(C)C(c1c(-c2cc(O)ccc2)nc3n(C(C)C)nc(c3c1NC4CCOCC4)C)=O	211
+C1COCCC1Nc2c3c(nc(CC)c2CNC(=O)CC(=O)O)n(CC)nc3	3
+C1COCCC1Nc2c3cnn(CC)c3nc(CC)c2CNC(c4cccc(C(=O)O)n4)=O	1
+C1CC(CCO1)Nc2c(c(nc3n(CC)ncc23)CC)CNC(c4nc(C(NCc5ccc(c(c5)Br)OC)=O)ccc4)=O	81
+C1CC(CCO1)Nc2c(cnc3c2cnn3CC)C(O)=O	6
+C1CC(CCO1)Nc2cc(ccc2C(=O)O)[N+]([O-])=O	6
+C1COCCC1Nc2cc(NN)ccc2C#N	2092
+C1CC(CCO1)n2c(nc3c2ccc(C(O)=O)c3)C	849
+C1COCCC1Nc2nc(N)ncc2Br	911
+C1CC(CCO1)Nc2c(-c3c(Cl)cncc3)cnc(n2)N	6847
+C1CC(CCO1)OC(C(=O)O)c2cc(Cl)c(Cl)cc2	4
+CC(C)(C)OC(N1Cc2c(nn(C3CCOCC3)c2CC1)Br)=O	1647
+C1CC(CCO1)Oc2ccc(cc2C=O)I	624
+C1CC(CCO1)Oc2cc(ccc2Nc3c4c(sc(C(OC)=O)c4C)ncn3)F	1500
+C1COCCC1Oc2c(N)ccc(F)c2	0
+CC1(C)OB(OC1(C)C)c2cc(C#N)c(OC3CCOCC3)cc2	17
+C1COCCC1Oc2c3c(ccc2)C(c4c(cc(Nc5ccc(F)cc5F)cc4)CC3)=O	1370
+C1COCCC1S(=O)(=O)C(C)(C)C(=O)Nc2onc(C(C)(C)CNC(=O)C)c2	6848
+C1COCCC1S(=O)(=O)C(C)(C)C(=O)Nc2onc(C(C)(C)CN(Cc3ccc(cc3)OC)C(C)=O)c2	58
+C1COCCC1S(=O)(=O)C(C)(C)C(=O)Nc2onc(c2)C(C)(C)CNCc3ccc(cc3)OC	110
+C1COCCC1S(=O)(=O)C(C)(C)C(Nc2onc(C(C)(C)C=O)c2)=O	24
+C1COCCC1Sc2cc3c(Nc4ccc(Cl)c(OC)c4)ccnc3cc2	179
+C1COCCC1S(c2cc3c(nccc3Nc4ccc(Cl)c(OC)c4)cc2)=O	2033
+C1COCCC1S(=O)(=O)c2c(OC)cc3c(c(ccn3)Nc4n[nH]c(c4C)C)c2	593
+C1CC(CCO1)c2c3sc(NC(=O)N4CCOCC4)nc3c(OC)cc2	2704
+C1COC2(O1)CCN(CC2)C(=O)Nc3nc4c(s3)c(C5CCOCC5)ccc4OC	2704
+C1COCCC1c2c3sc(NC(c4cc(ncc4)CCl)=O)nc3c(OC)cc2	900
+C1CC(CCC1)C(c2c(CC)sc(C3CCOCC3)c2)Nc4ccc(cc4)C(=O)OC	6849
+c1cc(ccc1)C(=O)NC(Nc2c(OC)ccc(c2)C3CCOCC3)=S	6850
+c1cc(ccc1)C(=O)NC(Nc2c(OC)ccc(c2)C3CCOCC3)=S	865
+C1COCCC1c2c3sc(N)nc3c(OC)cc2	2705
+c1cc(ccc1C2CCOCC2)O	606
+C1COCCC1c2ccc(cc2)N	0
+C1COCCC1c2nc3c(cc(Oc4cc(Cl)ncn4)cc3[nH]2)Cl	185
+C1COCCC1n2c(ccn2)-c3cc(Br)c(cc3N)C	106
+C1COCCN1Cc2c(F)cc(c(F)c2)Nc3nc(-c4cnc(C)n4C5CCOCC5)c(cn3)F	490
+C1CC(CCO1)n2c(Cl)c([N+]([O-])=O)cn2	2706
+C1COCCN1c2ccc(cc2)C(C(C)(C)N3CCOCC3)=O	34
+C1N(CC1c2nc3cc(Cl)ccc3[nH]2)c4nc(N5CCOCC5)ncc4Cl	117
+CC(C)[Si](C(C)C)(C(C)C)n1ccc(c1)CN2CCOCC2	1015
+FC(F)(F)c1ccc(cc1)-c2c(n3c(n2)ccc(-c4ccccc4)c3)CN5CCOCC5	2093
+FC(F)(F)c1ccnc(NC(Nc2ccc(cc2)-c3c(c(n4c3c(ncn4)N)CN5CCOCC5)CC)=O)c1	6851
+C1CN(CCO1)Cc2cnc3n2c(ccc3)SCCNS(=O)(=O)C	2093
+C1CN(CCO1)Cc2[nH]c3c4c2CC5N(C#N)CC(CC5c4ccc3)C(OC)=O	6852
+C1CN(CCO1)CCC(c2cc(ccc2)-c3cc(ncc3)NC(=O)c4ccccc4)=O	1493
+C1COCCN1Cc2c(nc3n2cc(cc3)Br)-c4ccc(cc4)Cl	2093
+c1ccccc1C(N2CCn3c(ccc3C2)CN4CCOCC4)=O	6853
+CC(C)(C(=O)OC)c1c([N+](=O)[O-])cc(cn1)N2CCOCC2	244
+CC(C)(C)C(Nc1cc(ccc1)C(c2ccc3ncc(N4CCOCC4)nc3c2)=O)=O	1322
+CC(C)(C)NC(c1c(-c2ccccc2C)cc(nc1)N3CCOCC3)=O	43
+CC(C)(C)OC(N1CC(C(=O)N2CCOCC2)N(C(OCc3ccccc3)=O)CC1)=O	10
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2c3c(c(c[nH]3)CN4CCOCC4)ccc2	565
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(C(N3CCOCC3)=O)cc(Cl)cc2	30
+CC(C)(C)OC(=O)NC1CC(C(=O)N2CCOCC2)C1(C)C	10
+CC(C)(C)OC(=O)NC1CC(CN2CCOCC2)CC1	236
+CC(C)(C)OC(NCc1cc([N+]([O-])=O)cc(C)c1N2CCOCC2)=O	79
+CC(C)(C)OC(=O)Nc1sc(c(-c2ccco2)n1)CN3CCOCC3	2075
+CC(C)(C)OC(=O)c1sc2nc(C)c(c(C)c2c1N)OCCN3CCOCC3	53
+CC(C)(C)OC(C(C)(C)Sc1nc(CCOc2ccc(-c3ccc(cc3)F)cc2C(N4CCOCC4)=O)cs1)=O	30
+CC(C)(C)OC(N(Cc1cn(c(-c2ccccc2)c1)S(=O)(=O)c3cccc(C(=O)N4CCOCC4)c3)C)=O	30
+CC(C)(C)OC(=O)N1CC(NC(OCc2ccccc2)=O)CC(C(N3CCOCC3)=O)C1	10
+CC(C)(C)OC(N1CCCC(C1)Nc2cc(OC)nc(N3CCOCC3)n2)=O	3956
+CC(C)(C)OC(N1C(c2c(N3CCOCC3)nc4cc(ccc4c2)F)CCC1)=O	286
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)Nc3nc(nc(C)c3C(=O)OCC)N4CCOCC4)=O	117
+CC(C)(C)OC(=O)Nc1c(Br)c(OC)c(c(OC)c1)CN2CCOCC2	131
+CC(C)(C)OC(=O)Nc1ccc(cn1)CN2CCOCC2	6854
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(=O)N2CCOCC2)n1	10
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2nc(nc(Cl)c2Oc3ccccc3OC)N4CCOCC4	117
+CC(C)(C)c1nn(-c2ccc(cc2)C)c(NC(=O)NCc3cc(F)ccc3Oc4nc(ncc4)N5CCOCC5)c1	117
+C1CN(CCO1)C=2SC(C(=O)N=2)=Cc3cccc(-c4ccc(c(C(C)(C)CC)c4)O)c3	3602
+c1cc(ccc1CN2CCOCC2)C#Cc3ccc(cc3)NC(=O)C(C(=O)OC)C(C)C	48
+C1COCCN1Cc2nnc(-c3cnc(cc3NC(C)C)Cl)o2	960
+CC(C)OCCCn1c(nc2cnc3c(ccc(N4CCOCC4)c3)c12)COCC	1578
+CC(C)c1nc(nc(c1)N2CCOCC2)-c3ccc(cc3)Cl	54
+C1CN(CCO1)C(=O)c2ccc(-c3cnc(c(-c4nnn(c4)C(C)C)c3)N)cc2C	30
+c1cc(ccc1-c2cc(C(NCc3c(nc(C)cc3C)O)=O)c4cnn(C(C)C)c4n2)CN5CCOCC5	131
+CC1(C)C(C)(C)OB(O1)c2cncc(CN3CCOCC3)c2	565
+C1COCCN1C(C)(C)C(=O)c2ccc(cc2)Cl	1860
+CC1(C)CC2(OCCO2)CC(C)(C)N1c3nc(nc(n3)N4CCOCC4)Cl	436
+C1COCCN1c2nc3oc4c(ncnc4NCc5cnccc5)c3c6CC(C)(C)CCc26	6855
+C1COCCN1C(C)(C)C(=O)c2ccc(cc2)F	1860
+C1(CN(CC(C)O1)c2nc(nc(N3CCOCC3)c2)-n4c(nc5c(OC)cccc45)C(F)F)C	6856
+C1COCCN1Cc2nc(c3N(C=C(C(=O)c3c2)C(OCC)=O)C)Cl	6857
+C1COCCN1CCOc2cc(c(Cl)cc2Cl)-c3nc(N)nc4c3cc(C(NCC)=O)s4	6858
+C1CN(CCO1)Cc2cc(ccc2)-c3cncc4cc(C(OCC)OCC)oc34	48
+C1COCCN1c2cc(c(NC(=O)C)c([N+](=O)[O-])c2)OC	79
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2c(nc(CN3CCOCC3)c1)c(-c4cc5ccccc5nc4)cn2	315
+C1COCCN1C(c2ccc(OCc3c(noc3C)-c4ccncn4)nc2)=O	211
+C1COCCN1c2c(c(nc(Cl)n2)C)[N+](=O)[O-]	54
+C1CN(CCO1)c2c(cc(C(OC)=O)cc2)C	79
+Cc1cc(cc(C)c1OCCCN2CCOCC2)-c3nc4c(o3)nc(Cc5ccc(cc5)Cl)nc4OCCC	28
+c1cc(ccc1OC2CC(C2)N3CCCCC3)-c4sc5CN(CCc5n4)C(=O)N6CCOCC6	6859
+c1cc(ccc1OCCCN2CCCC2C)-c3sc4CN(CCc4n3)C(=O)N5CCOCC5	6860
+C1CN(CCO1)c2cc(CCl)nc(n2)-c3ccccn3	54
+C1COCCN1Cc2cc(c(s2)Cl)Br	509
+C1CN(CCO1)C(=O)c2cc(c(cc2C)[N+]([O-])=O)Cl	30
+C1COCCN1C(CCCOc2cc3ncnc(c3cc2OC)Nc4c(F)cc(Cl)cc4)=O	10
+C1CN(CCO1)C(=O)c2c3n(ccc3c(nc2)Nc4cccc(Cl)c4)CC	1369
+C1COCCN1C(=O)c2cnc(c3ncn(c23)C)Nc4cccc(c4)Cl	1369
+C1COCCN1c2ccnc(Nc3sc(-c4cc(Br)cnc4)cn3)c2	264
+C1COCCN1c2ccc(c([N+](=O)[O-])c2)C#N	202
+C1CN(CCO1)c2cccc(N)n2	43
+C1CN(CCO1)c2nc(nc3c2nc(COC(C)=O)cc3)Cl	3940
+C1CN(CCO1)c2c3c(n(cn3)CC)nc(Cl)n2	1310
+C1CN(CCO1)c2cc(ccn2)[N+](=O)[O-]	43
+FC(F)(F)Oc1ccc([N+](=O)[O-])cc1NC(CN2CCOCC2)=O	224
+FC(F)(F)Oc1ccc(cc1NC(CN2CCOCC2)=O)C(=O)Nc3ccc(-c4ccccc4F)nc3	224
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2c(N3CCOCC3)cc(c([N+]([O-])=O)c2)NCC(C)(C)O	202
+FC(F)(F)Oc1ccc(cc1)Nc2nc(Cl)nc(N3CCOCC3)n2	436
+C1CN(CCO1)CCn2nc(C)c(c2C)CC(=O)NCc3c(cc(F)cc3)Cl	1645
+FC(F)(F)c1c(ccc(N2CCOCC2)c1)C=O	34
+FC(F)(F)c1c(CN2CCOCC2)ccc(NC(=O)c3ccc(C)c(Br)c3)c1	48
+FC(F)(F)c1c(ccc(C#N)c1)Oc2ccc(C=C3SC(N4CCOCC4)=NC3=O)cc2OC	6861
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)Nc2c(nccn2)C(=O)N3CCOCC3)Cl	777
+FC(F)(F)c1c(ccc(N2CCOCC2)c1)[N+]([O-])=O	34
+FC(F)(F)c1cc(cnc1N2CCOCC2)Br	43
+FC(F)(F)c1cc2ncc(c(OCCCCCOC=3C(=O)C=C(CN4CCOCC4)OC=3)c2cc1)C(=O)OCC	2662
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(cc3)OCC(N4CCOCC4)=O)C	10
+FC(F)(F)c1cccc(c1C)Cc2c3n(nc2C)c(N)cc(N4CCOCC4)n3	790
+FC(F)(F)c1cccc2c1nccc2OCCCCCOC=3C(=O)C=C(CN4CCOCC4)OC=3	2662
+FC(F)(F)c1cnc(cc1)Nc2nccc(C(=O)Nc3cncc(c3)N4CCOCC4)c2	244
+C1CN(CCO1)C(CC(c2cc(c(cc2)OC(F)F)OCC)N3C(c4c(C3)cccc4NC(=O)C)=O)=O	10
+FC(F)c1nc2ccccc2n1-c3cc(N4CCOCC4)nc(SC)n3	54
+C1COCCN1c2ccc(c([N+](=O)[O-])c2)C#N	6862
+C1CN(CCO1)c2ncc(c(c2)N)Br	43
+C1CN(CCO1)C(c2cc(c(cc2F)N)OC)=O	30
+C1CN(CCO1)CCCc2cc(c3n2ncnc3N)Br	28
+C1CN(CCO1)CCc2nnc(s2)N	53
+C1COCCN1CC(CCl)O	170
+C1COC2(O1)CCC(CC2)N3CCOCC3	85
+O1CCOC12CCN(CC2)c3ccc(cc3)CN4CCOCC4	48
+C1COCCN1C(=O)C(=O)OCC	3957
+C1COCCN1c2c(cc(cc2)[N+](=O)[O-])C=O	202
+C1CN(CCO1)Cc2ccc(O)cc2OC	48
+C1COCCN1Cc2cc(c(Nc3ccc(nc3)OC)nc2)-c4nc(SC)nc(n4)C	565
+C1COCCN1Cc2c(F)cc(Br)c(c2)F	48
+C1COCCN1CCCCc2ccc3ncn(-c4sc(C(=O)OCC)c(n4)-c5cccc(Cl)c5)c3c2	123
+C1CN(CCO1)CC2Oc3c(ccc(S(=O)(=O)C)c3)CC2	236
+C1CN(CCO1)c2cc(S(=O)(=O)CC)c(c(c2)C)C#N	202
+O=S(=O)(Cc1nc(nc(N2CCOCC2)c1)Cl)C	54
+C1COCCN1S(=O)(=O)c2cc(c(OCCC)cc2)-c3nc4c(c(O)n3)c(nn4CCC)C	92
+C1COCCN1S(=O)(=O)c2cc3c(cc2)CCN(CC3)C(C)=O	92
+C1CN(CCO1)C2CCN(CC2)S(=O)(=O)Nc3cc(OC)nc(n3)SCc4c(c(F)ccc4)F	85
+C1CN(CCO1)CCCN2c3c(C=4C=CC(=O)N(c5c(cccc5)C)N=4)c(-c6ccc(cc6)F)nn3CC2	123
+C1COCCN1CCc2sc3c(c2)c(N)nc(-c4cccc(C#N)c4)n3	123
+C1COCCN1S(=O)(=O)c2cc(ccc2OC)F	92
+O=S(=O)(c1cc(ccc1)Cl)Nc2cc(nc3sc(C#CCN4CCOCC4)c(c23)-c5cc(ccc5)OC)C	6863
+C1CN(CCO1)S(=O)(=O)c2cccc([N+](=O)[O-])c2	92
+C1COCCN1c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-]	34
+c1cc(ccc1Br)S(=O)(=O)N2CCOCC2	92
+C1CN(CCO1)Cc2cccc(S(=O)(=O)c3ccc(nc3)C=Cc4ccc(cc4F)F)c2	48
+C1CN(CCO1)S(=O)(=O)c2cc(C(O)=O)ccc2	92
+C1COCCN1CCC(O)C	53
+C1COCCN1C(=O)C[N+]#[C-]	2642
+C1COCCN1c2c(cc([N+](=O)[O-])cn2)-n3cccn3	43
+C1COCCN1c2cc(F)c([N+]([O-])=O)cc2F	34
+C1COCCN1c2ncnc3[nH]cc(c23)-c4cccc(c4)C#N	778
+C1CN(CCO1)c2nc(Cl)nc3[nH]ccc23	778
+C1CN(CCO1)c2c(c(nc(n2)-c3cccc(O)c3)NC4COCC4)C	54
+C1CN(CCO1)c2ccc([N+](=O)[O-])cc2C	34
+C1COCCN1c2nc(N3CCC(F)C3)c(c(C)c2)[N+]([O-])=O	43
+C1COCCN1c2c(Br)cc(c(C)n2)[N+](=O)[O-]	43
+C1CN(CCO1)C(=O)c2c3c(c(Cl)nc2)ccn3C	1369
+C1CN(CCO1)c2c([N+](=O)[O-])cc(Cl)cn2	361
+C1CN(CCO1)c2c(Cl)nnc(Cl)c2	2558
+C1COCCN1c2cc(Cl)nc(-c3cccc(OC)c3)n2	54
+C1COCCN1c2nc(Cl)nc(N(C)c3ccccc3)n2	436
+C1CN(CCO1)c2nccnc2N	317
+C1COCCN1c2c3c(cc(Br)c(c3)F)nc(Cl)n2	54
+C1CN(CCO1)c2cc(F)c(c(F)c2)[N+](=O)[O-]	34
+C1COCCN1c2c(F)cc3c(c2)ncnc3O	2074
+C1COCCN1c2c(C)cc(C)c(N)c2C	79
+C1COCCN1CC(=O)c2ccc(OCCC)c(c2)-c3nc(c4n(C)nc(c4n3)CCC)O	676
+C1COCCN1c2c(cc(cc2)[N+]([O-])=O)Br	34
+C1COCCN1CC(Nc2cc([N+](=O)[O-])ccc2Br)=O	224
+C1COCCN1c2ccc([N+](=O)[O-])cc2O	79
+C1CN(CCO1)c2nc(SCC)c(c(c2)C)C(O)=O	43
+C1COCCN1C(c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2)=O	30
+C1COCCN1C(c2cc(OC)c(cc2C)[N+](=O)[O-])=O	30
+C1CN(CCO1)C(C=Cc2ccc(OCCC)c(-c3nc(c4c(n3)n(nc4C)CCC)O)c2)=O	404
+C1COCCN1c2cc3c(c(c2)[N+]([O-])=O)nc(C)n3Cc4cccc5ccccc45	1578
+C1COCCN1c2c3CCN(c4ncnc5cc(c(OC)cc45)OC)c3ccc2	79
+C1COCCN1c2ccc3c(O)nnnc3c2	2074
+C1COCCN1C(c2ccc(c(F)c2)Br)=O	30
+C1CN(CCO1)c2c(cc(cc2)C=O)[N+](=O)[O-]	34
+C1CN(CCO1)CCCCOCc2cc(Br)ccc2F	28
+C1CN(CCO1)c2ccc(c(C(NC)=O)c2)[N+]([O-])=O	34
+C1COCCN1c2cc(O)c([N+]([O-])=O)cc2	34
+c1cnccc1-c2nc3c(cc(nn3c2)Cl)N4CCOCC4	6864
+C1COCCN1c2nc(Cl)nc3CCCc23	54
+C1COCCN1c2cc(Cl)nc3c2cc(OC)cc3	264
+C1COCCN1c2cnc3cc(F)c(CC(OC)=O)c(F)c3c2	244
+c12c(cccc1)CN(C2)C(=O)Nc3ccc(cc3)-c4noc(n4)CN5CCOCC5	960
+C1COCCN1c2c3c4ccncc4[nH]c3ncn2	778
+C1COCCN1c2c3ccc4c(c3nc(Cl)n2)ccn4C	54
+C1COCCN1c2cc3c(C(CC3)=O)cc2OC	79
+C1CN(CCO1)c2nc(nc3c(cc(Br)cc23)OC)Cl	54
+C1COCCN1c2ccc3c(ccc([N+](=O)[O-])c3)n2	286
+C1COCCN1c2nc(nc3c2scc3)Cl	2094
+C1CN(CCO1)c2cc(C=C)ccc2F	79
+C1CN(CCO1)c2cc(cc(Cl)n2)Cl	43
+C1COCCN1c2nc(Cl)cc(N)c2	43
+C1CN(CCO1)C(=O)Cc2cc(ccc2[N+](=O)[O-])C	10
+C1CN(CCO1)c2nc(nc3cc(Br)ccc23)Cl	54
+C1CN(CCO1)CCCN2C(=O)CCN(CC2)C(C=Cc3ccc(c(c3)Cl)Cl)=O	183
+C1COCCN1Cc2cc3c(cc2)n(c(CN(C(=O)c4c(ccc(F)c4)F)CCC)n3)CCC	171
+C1CN(CCO1)c2c(ncc(Br)n2)N	2089
+C1COCCN1c2nc(nc(C(=O)OC)c2)Cl	54
+C1COCCN1CCOc2cc3ccc[n+](c3cc2)[O-]	28
+C1CN(CCO1)C(=O)Cc2cn(CC)c3c2c(O)cc(F)c3	10
+C1CN(CCO1)CCCOc2cc(C)ccc2OC	28
+C1COCCN1C(=O)Nc2nccc(c2)Oc3c(F)cc([N+]([O-])=O)cc3	3856
+C1COCCN1c2cc(ncc2)-c3nn(c(-c4ncoc4)n3)Cc5c(cccc5)F	1465
+c1ccccc1-c2c(ccc(CC3=C(C)C(=O)C(=C(OC)C3=O)OC)c2)C(N4CCOCC4)=O	30
+C1CN(CCO1)Cc2c(nc3ccccc3c2C(=O)NN(c4ccccc4)C(OC)=O)-c5ccccc5	619
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(N5CCOCC5)c6c(nc(cc46)Cl)C	6865
+c1ccccc1COC(=O)N2Cc3ccccc3CC2C(=O)N4CCOCC4	10
+c1cc(ccc1)COC(=O)N2CCc3nc4ccnn4c(N5CCOCC5)c3CC2	1575
+c1cc(ccc1)COc2c(CC=3C(=O)C(OC)=C(OC)C(=O)C=3C)cccc2C(N4CCOCC4)=O	30
+c1cc(ccc1)Oc2cc(ncc2C(=O)OCC)N3CCOCC3	43
+C1CN(CCO1)C(=O)c2ccc(cc2)-c3[nH]c4ncc(c(c4n3)I)Cl	30
+C1CN(CCO1)C(=O)c2[nH]cc(C)c2-c3ccc(cc3)Cl	147
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCCl	115
+c1cc(ccc1[N+](=O)[O-])-c2ncc(OC)c(N3CCOCC3)n2	54
+c1cc(ccc1N2CCOCC2)C#N	34
+C1COCCN1c2c(nc(s2)C)-c3ccc(cc3)OCCCCCOc4ccc(cc4)C#N	3934
+C1COCCN1CC(c2ccc(cc2)-c3ccccc3)=O	676
+C1CN(CCO1)Cc2ccc(cc2)C(=O)Nc3ccc(cc3)OC(=O)N(C)c4ccccc4	171
+C1COCCN1C(c2ccc(cc2)[N+]([O-])=O)C	2030
+c1cc(ccc1C(=O)N2CCOCC2)-c3nn4c(cc3)ncc4C#C	30
+C1CN(CCO1)Cc2ccc(cc2)-c3cc(ccn3)-c4n5c(nc4-c6nc(C)ccc6)ccc(c5)Cl	48
+C1CN(CCO1)c2cc(c(c(OC)c2)C(NCc3ccc(cc3)Cl)=O)F	79
+c1cc(ccc1S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3)C#CCN4CCOCC4	3958
+C1COCCN1c2cc3c(nc2NCc4ccc(cc4)OC)ccc(Br)c3	2064
+C1COCCN1Cc2ccc(cc2)CCC#Cc3ncc(Br)cc3	889
+c1cc(ccc1COc2c(cc(CN3CCOCC3)cc2)C(=O)Nc4cccnc4)F	48
+c1cc(ccc1C(OC)=O)Cc2ccc(cc2)CN3CCOCC3	889
+C1CN(CCO1)c2cc3c(C(=O)N(C)CC3c4ccc(cc4)Cl)s2	1801
+C1COCCN1Cc2cc(I)c3c(c2)C(=O)C(C(=O)NCc4ccc(cc4)Cl)=CN3C	171
+c1cc(ccc1F)-c2nc3c(ccc(N4CCOCC4)n3)n2-c5nc(ncc5)NC6CCCC6	43
+C1CN(CCO1)CCCNc2cc(ccc2)C(=O)c3c(N)n(-c4ccc(cc4)F)nc3	53
+c1cc(ccc1F)NC(=O)Nc2ccc(cc2)Oc3ncnc4[nH]c(cc34)CN5CCOCC5	315
+C1COCCN1CC(COc2cc3nccc(Oc4cc(c(cc4)NC(=O)Nc5ccc(cc5)F)F)c3cc2C#N)O	170
+C1CN(CCO1)C(=O)c2ccc(cc2)Nc3c4n(ccn4)cc(Br)n3	30
+c1cc(ccc1Nc2nc(N3CCOCC3)nc4CCCc24)C5(CCC5)C(OC)=O	117
+c1cc(ccc1Nc2sc(C(=O)c3cc([N+](=O)[O-])c(cc3)N4CCOCC4)c(N)n2)N5CCN(CC5)C	202
+C1CN(CCO1)C(=O)OCc2cnc(C)cc2	1011
+c1cc(ccc1OC)-c2ccc(CC3=C(C)C(C(=C(C3=O)OC)OC)=O)cc2C(N4CCOCC4)=O	30
+c1cc(ccc1OC)-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3nc2-c5ccc(cc5)OC	2691
+C1COCCN1CCc2nc(C(C)Nc3ncnc4c3ncn4Cc5ccc(cc5)OC)cc6cccc(Cl)c26	6866
+C1COCCN1CC(COc2ccc(cc2)C=3C(c4c(OC=3)cc(OC)cc4)=O)O	170
+c1cc(ccc1OCCCCl)-c2nc(C(N3CCOCC3)=O)co2	6867
+C1CN(CCO1)C(CO)c2cc(NS(=O)(=O)c3ccc(cc3)-c4ccc(F)cc4F)ccc2	3959
+c1cc(ccc1S(=O)(=O)Nc2ccsc2C(OC)=O)N3CCOCC3	79
+c1cc(ccc1S(=O)(=O)n2c(cc3c2nccc3)-c4c5c(n(c4)CCN6CCOCC6)cc(c(OC)n5)OC)C	183
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCN6CCOCC6)c(cc45)OC)C)C	183
+c1cc(ccc1S(=O)(=O)n2ncc3c(cc(cc23)Br)-c4nnc(CN5CCOCC5)o4)C	960
+c1cnccc1-c2cc(nnc2-c3cc4c(cccc4)cc3)N5CCOCC5	6868
+C1COCCN1C(=O)c2ccc(nc2)Cl	1558
+C1CN(CCO1)c2nnc(O)c3ccccc23	212
+C1CN(CCO1)c2ccc3c(c(O)ccc3)n2	286
+C1CN(CCO1)CCCCCCCCc2c3C(NC(c3ccc2)=O)=O	28
+C1CN(CCO1)c2ccccc2OC	560
+C1CN(CCO1)C(COc2cc([N+]([O-])=O)ccc2)=O	10
+c1cc(ccc1)-c2[nH]c3c([N+]([O-])=O)cc(cc3c2CN4CCOCC4)Cl	565
+C1COCCN1c2n3nc(cc3nc(Cl)c2)-c4ccccc4	1575
+c1ccccc1C(CN2CCOCC2)C(=O)OCC	6869
+c1cc(ccc1)C2(c3ccccc3)C(CCN4CCOCC4)CN(C2=O)CC	53
+c1ccccc1COC(NC2c3cc(ccc3N(C(C4CC4)C2C)C(=O)C)N5CCOCC5)=O	79
+C1COCCN1c2ccc(cn2)-c3cn(c4c3ccc(F)c4)S(=O)(=O)c5ccccc5	43
+C1CN(CCO1)CCCn2ccc3c(cccc23)[N+](=O)[O-]	28
+C1COCCN1C(=O)c2cnc(c3c2n(cn3)C)Cl	1369
+C1COCCN1C(=O)CN2N=Nc3c(C(=O)N)ncn3C2=O	10
+C1COCCN1c2cnc(nc2)NC3CC(CC)N(C(=O)OCC)c4ccc(OC)nc34	3937
+C1COCCN1c2nc(nc(Nc3cn(CC#N)cn3)n2)NC(C)c4ncc(cn4)F	436
+C1CN(CCO1)CCCOc2cc3cc4ncc(c(Nc5c(cc(c(c5)OC)Cl)Cl)c4cc3cc2OC)C#N	53
+C1COCCN1C(c2cn[nH]c2)=O	1020
+C1CN(CCO1)C(=O)c2c3c(cc(-c4cccnc4-c5cc(C)c(cc5)F)c2)c[nH]n3	211
+CN(C)c1nc(nc(N2CCOCC2)n1)Cl	436
+C1CN(CCO1)CCCCn2cnc3nc(NCc4ccc(c(Cl)c4)Cl)nc(O)c23	28
+C1CN(CCO1)c2c(F)c(nc(Cl)n2)Nc3[nH]nc(c3)C	54
+C1CN(CCO1)c2cncc(N)c2	244
+C1CN(CCO1)Cc2ccn(-c3c(C(=O)OCC)cccn3)n2	315
+C1COCCN1Cc2cc3c(C(Br)=CN(C)C3=O)o2	2693
+CC(C)(C)c1cc(ccc1O)CC(N(C(C(C(C)C)N(C)C(OCc2ccccc2)=O)=O)C)C(N)=O	6870
+CC(C)(C)c1nc(ncc1C(=O)OCC)N2CCOCC2	6871
+C1CN(CCO1)C(C(NN)=O)=O	6872
+C1COCCN1C(=O)COC2CCN(CC2)C(=O)c3c(ccc(c3)Cc4c5c(c(O)nn4)cccc5)F	1997
+C1CN(CCO1)C(=O)C2N=COC2c3cccnc3	6873
+C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O	9
+C1COCCN1C(=O)NC2(CCCCC2)C(=O)O	210
+C1COCCN1C(=O)Nc2nccc(c2)Oc3ccc(N)cc3F	0
+C1COCCN1C(=O)Nc2nccc(c2)Oc3c(cc(NC(=S)NC(=O)Cc4ccccc4)cc3)F	2095
+C1CN(CCO1)C(c2c(c3cc(O)c(c([N+](=O)[O-])c3s2)O)CBr)=O	6874
+C1COCCN1C(=O)c2cc(Cl)ccc2CN3CCN(CC3)C(=O)ON4C(CCC4=O)=O	613
+C[Si](C)(C)CCOCn1nc(-c2ccccc2OC)c3c1ncc(-c4ccc(O)c(C(N5CCOCC5)=O)c4)c3	391
+C1COCCN1C(=O)c2cnc(NN)cc2	383
+CC1(C)OB(OC1(C)C)C=2C=C(Nc3ccc(C(=O)N4CCOCC4)cn3)C(=O)N(C)C=2	1371
+C1COCCN1C(c2n3c(c(c2C)C(=O)O)cccn3)=O	6
+C1COCCN1C(C)(C)C(=O)c2ccc(cc2)S	3960
+C1COCCN1C(C)(C)C(=O)c2ccc(cc2)SCCS	411
+C1CN(CCO1)C(C)C(O)=O	210
+c1ccccc1-c2ccc(cc2)NC(c3ccc(OC)c(c3)NC(C(CC)N4CCOCC4)=O)=O	33
+CC(C)(C)OC(=O)N1CCC(CC1)OCC(N2CCOCC2)=O	467
+c1ccccc1COc2ccc(cc2)OCC(CNCCNC(N3CCOCC3)=O)O	122
+FC(F)(F)c1cnc(Nc2c(OC)cc(C(=O)N3CCOCC3)c(C)c2)nc1NC	55
+C1COCCN1C(c2c(cc(N)c(c2)OC)C)=O	0
+C1CN(CCO1)Cc2cc([N+](=O)[O-])c(cc2)[N+](=O)[O-]	162
+C1CN(CCO1)Cc2cc(c(Br)cc2)F	162
+C1COCCN1C(c2cnc(cc2)Nc3cc(cc4cccnc34)Cl)=O	6875
+C1CN(CCO1)C(=O)c2cnn(-c3ccc(OCCCN4CCCC4C)c(c3)F)c2	901
+c1cc(ccc1-n2cc(C(=O)N3CCOCC3)cn2)OCCCN4CCCC4C	568
+C1COCCN1C(=O)c2n3ncccc3c(C(NCc4c(cc(nc4O)C)C)=O)c2C	56
+CC(C)(C)OC(Nc1cc2c(cc1)Sc3c(C=4OC(=CC(C=4)=O)N5CCOCC5)cccc3S2)=O	6876
+c1(F)cc(cc(F)c1)N2CCCC2c3cc(cc4C(C=C(Oc34)N5CCOCC5)=O)C(OC)=O	79
+C1COCCN1C=2N=C(N(C(=O)C=2)C)CC(N3c4cccc(F)c4CC3C)=O	429
+C1COCCN1C=2OC(c3cccc4Sc5c(ccc(c5)O)Sc34)=CC(C=2)=O	477
+C1COCCN1CC#Cc2cc(cc(OCC(C)C)c2)Sc3c(cc(c(C)c3)OCC(=O)OCC)C	197
+FC(F)(F)c1cc(Oc2cc(cc(c2)Sc3cc(C)c(cc3)OCC(OCC)=O)C#CCN4CCOCC4)ccc1	197
+FC(F)(F)c1ccc(Oc2cc(Sc3ccc(OCC(=O)OCC)c(C)c3)cc(C#CCN4CCOCC4)c2)nc1	197
+C1COCCN1CC#Cc2n(C)c(c(-c3ccncc3)c2-c4ccc(cc4)F)C(=O)OC	6877
+C1COCCN1CC#Cc2cc(cc(OCC(C)C)c2)Sc3cc(C)c(cc3C)OCC(O)=O	3
+c1cc(ccc1C(Nc2ccc(c(c2)NC(=O)CN3CCOCC3)Br)=O)-c4ccccc4	67
+C1CN(CCO1)CC(C)(C)NC(=O)Cn2nc(-c3cn(nn3)Cc4ccc(cc4)OC)cc2Cc5ccc(cc5)F	9
+C1COCCN1CC(O)CN	2707
+C1COCCN1CC(O)CN2C(=O)c3c(CC2)[nH]c(C=O)c3C	413
+c1ccccc1C(CCl)CN2CCOCC2	221
+C1COCCN1CC(=O)Nc2c(Br)ccc(N)c2	0
+C1COCCN1CC(=O)Nc2cc(ccc2SC)C(Nc3ccc(-c4ccccc4F)nc3)=O	33
+c1cc(ccc1CC(NC(C(NC(=O)CN2CCOCC2)CC#N)=O)C(=O)NC(CC=3CCCC=3)C(=O)C4(CO4)C)OC	207
+C1CN(CCO1)CC(CN2CCc3c(c(C)c([nH]3)C=C4c5c(cccc5NC4=O)-c6c(c(ccc6)F)F)C2=O)O	292
+c1cc(ccc1-c2ccccc2)C(CN3CCOCC3)NC	1607
+C1CN(CCO1)CC2COc3cccc4c(C(c5ccc(cc5)OC)=O)c(n2c34)CC	6878
+C1COCCN1CC2COc3c(cccc3)N2N	1651
+C1COCCN1CC2COc3c(cccc3)N2N=O	2708
+C1COCCN1CC2Cc3ccccc3CN2	62
+C1COCCN1CCC(c2ccccc2N)=O	0
+c1cc(ccc1[N+]([O-])=O)OC(C)CCN2CCOCC2	57
+C1COCCN1CCCCc2ccc3ncn(-c4sc(c(-c5cc(ccc5)Cl)n4)C(N)=O)c3c2	1169
+C1COCCN1CCCCc2ccc3ncn(-c4nc(c(C(=O)O)s4)-c5cc(ccc5)Cl)c3c2	6
+C1COCCN1CCCN2C=3c4cc5OCOc5cc4C(C=3c6c(cc(c(OCCCN)c6)OC)C2=O)=O	18
+C1COCCN1CCCN2C=3c4cc5OCOc5cc4C(C=3c6c(cc(OC)c(OCCCN=[N+]=[N-])c6)C2=O)=O	310
+C1COCCN1CCCc2cccc(CCl)n2	3961
+C1CN(CCO1)CCNC(=O)c2cc(C)c([nH]2)C=C3c4c(ncnc4N(C)C3=O)Nc5ccc(F)c(c5)Cl	2709
+CC(C)(C)[Si](C)(C)OCCCN1C(N(C)c2nc(n(Cc3ccc(cc3)Cl)c2C1=O)OCCN4CCOCC4)=O	6879
+C1CN(CCO1)CCOC(N2CC(OCCF)C(n3c4c(nc(-c5ccc(C(C)C)nc5OC)c(C)c4)c(C)c3)C2)=O	1468
+C1CN(CCO1)CCOc2cc(ncc2)Cl	1895
+C1CN(CCO1)CCOc2cc(cc(-c3cc(nc(n3)-n4c(cc(n4)C)C)NC(C)=O)c2)F	126
+C1CN(CCO1)CCOc2ccc([N+]([O-])=O)cc2-c3n(C)ncc3	126
+C1CN(CCO1)CCOc2cc3c(ncc(c3Cl)C#N)cc2F	126
+C1CN(CCO1)CCOc2c(cc(cc2C)C=O)C	126
+c1cc(ccc1Br)OCCN2CCOCC2	20
+c1(nc(nc(C)c1C(=O)NC(CNC(c2cccs2)=O)C(OCCN3CCOCC3)=O)NCCCc4cc(O)ccc4)C	456
+C1COCCN1CCOc2cccc(c2)-c3sc4c(nccc4Oc5ccc([N+]([O-])=O)cc5F)c3	20
+CC(C)(C)OC(CCOCCOCCOCCN1CCOCC1)=O	1615
+C1COCCN1CCn2c(c(C(c3c4ccccc4c(C)cc3)=O)c5c2nccc5)C	3962
+c1cc(ccc1Cl)-c2nc3n(c2CN4CCOCC4)cc(cc3)-c5ccccc5F	89
+C1COCCN1Cc2sc(Cl)c(C(=O)CC(=O)OC)c2	3963
+C1COCCN1Cc2cc(c(Nc3ccc(nc3)OC)nc2)-c4nc(nc(N)n4)C	6880
+C1CC(CCO1)COc2nccc(C3=CN(C(=O)c4cc(oc34)CN5CCOCC5)C)c2	2710
+C1COCCN1Cc2ccc(cc2)CCC#Cc3ccc(-c4ccc(cc4)Cl)cn3	2056
+C1CN(CCO1)Cc2cc3c(cn2)N(C=C(C(OCC)=O)C3=O)C	1372
+CC(C)(C)c1ccc(cc1)Nc2c3c(nc(n2)CN4CCOCC4)CN(CC3)Cc5ccccc5	73
+CC(C)Nc1cc(ncc1-c2nnc(CN3CCOCC3)o2)Nc4ccc(cc4)C#N	201
+C1CN(CCO1)NC(c2ccc(OCc3c(onc3-c4ccc(cn4)F)C)cn2)=O	2096
+C1COCCN1NC(=O)c2cc(n(Cc3cc(Cl)cc4cc(oc34)-c5ccc(cc5)Cl)n2)C	2096
+C1CN(CCO1)NC(=O)c2cc(ccn2)Oc3cc(ccc3)NC(Nc4cc5c(cc4)n(nc5)C)=O	2096
+O=S(=O)(Nc1cc(cnc1Cl)Nc2ncccc2-c3nc(C)nc(N)n3)N4CCOCC4	2097
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1S(=O)(=O)N2CCOCC2)F	166
+C1COCCN1S(=O)(=O)c2cc(F)ccc2O	5
+CN(C)C=NC(=O)c1sc(c(C#N)c1-c2ccc(cc2Cl)Cl)N3CCOCC3	2098
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2c(C(Nc3c(C)c(N4CCOCC4)c(C)cc3C)=O)scc2	6881
+C1COCCN1c2c(C)cc(cc2)Nc3c4c(ccc(c4)-c5cccs5)ncn3	1373
+c1cc(ccc1)-n2c(ccn2)C=3C(C(OC)=CN(c4cc(F)c(N5CCOCC5)cc4F)N=3)=O	3964
+C1COCCN1c2cc(c(N3C=C(OC)C(C(=N3)C(O)=O)=O)cc2F)F	4
+C1COCCN1c2c(F)cc(N3N=C(C(=O)C(OC)=C3)C(=O)OC)c(c2)F	1181
+C1COCCN1c2cc3ncnc(Cl)c3cc2F	64
+C1CN(CCO1)c2cc(cc(c2F)C=O)CC	151
+CC(C)Oc1c(cc(cn1)-c2c(C)ncc(N)c2)N3CCOCC3	907
+FC(F)(F)c1cccc(C(=O)Nc2ccc(c(-c3cc(c(nc3)OCCOC4OCCCC4)N5CCOCC5)c2)C)c1	67
+C1CN(CCO1)c2sc(C(O)=O)c(-c3ccc(cc3Cl)Cl)c2C#N	6
+C1COCCN1c2sc(c(C(CC=O)c3cc(c(cc3)Cl)Cl)c2C#N)C(=O)OCC	465
+c1ccccc1COc2cc(-c3nc(c([N+](=O)[O-])c(C)n3)N4CCOCC4)ccc2	345
+C1COCCN1c2c(C)cc(Nc3ncnc4c3cc(cc4)I)cc2	73
+C1CN(CCO1)c2ncc(cc2-n3nccc3)N	13
+C1COCCN1c2c(O)cc(cc2)Nc3nc(c4cn[nH]c4n3)-c5cccc(NC(C=C)=O)c5	1002
+C1CN(CCO1)c2c(CNC)cc([N+](=O)[O-])cc2	42
+CC(C)(C)OC(Nc1cccc(C#Cc2cc(ccc2N3CCOCC3)[N+]([O-])=O)c1)=O	455
+C1COCCN1c2ncccc2CO	295
+O=S(=O)(C)c1cccc(-c2cc3c(cc2F)c(N4CCOCC4)nc(Cl)n3)c1	495
+C1CN(CCO1)c2nc(-c3ccc(N)nc3)nc4cc(sc24)CN5CCC(CC5)C(=O)NC	1323
+C1CN(CCC1)C2CCN(CC2)Cc3sc4c(c3)nc(-c5cnc(nc5)N)nc4N6CCOCC6	2685
+C1COCCN1c2c3sc(CN4CCN(CC4)C)cc3nc(-c5cccc6[nH]ccc56)n2	6882
+C1CN(CCO1)c2c3nc(CN4CC(C4)N5CC(NCC5)=O)sc3nc(n2)Cl	3965
+ClC(Cl)(Cl)COC(Nc1ncc(cc1)-c2nc(c3ccc(-c4cccc(c4)S(=O)(=O)C)cc3n2)N5CCOCC5)=O	278
+C1COCCN1c2nc(nc3c4c(ccc23)n(cc4)CCN(C)C)Cl	1277
+C1CN(CCO1)c2nc(nc3c4c(ccc23)n(cc4)C)-c5ccc(cc5)N	2099
+C1COCCN1c2ncc(n3cc(nc23)C=Cc4nc5ccccc5cc4)Br	3966
+C1COCCN1c2ncc(n3cc(nc23)C(NN)=O)Br	2100
+C1COCCN1c2ccnn3c2nc(CO)c3	874
+C1CN(CCO1)c2c3nc(cn3ncc2)C=Cc4nc5ccccc5cc4	3966
+C1COCCN1c2c3n(ccn2)cc(COc4ncc5c(cccc5)n4)n3	6883
+C1COCCN1c2cc(-c3c4c(ccc3)Sc5cc(NC(=O)CN(C)C)ccc5S4)nc(O)c2	224
+C1CN(CCO1)c2cc(N)c(N)c(C(=O)OC)c2	0
+C1COCCN1c2cc(C(OC)=O)c3nc([nH]c3c2)C	6884
+C1CN(CCO1)c2cc3n(c(nc3c(c2)C(OC)=O)C)Cc4cccc5c4cccc5	505
+C1COCCN1c2nc(c(N)c(Cl)c2)OC	13
+C1COCCN1c2nc(nc(c2)Cl)-c3cccc(c3)O	5
+FC(F)(F)Oc1ccc(cc1)CC(=O)N2CCC(Nc3nc4ccc(cc4c(c3)N5CCOCC5)OC)C2	554
+C1COCCN1c2cc(c(cc2F)N)F	0
+C1CN(CCO1)c2ncc(-c3cc(F)c(nc3)OC)c(Nc4c(C)c(-c5ccccn5)nc6cc(F)cc(F)c46)c2	2711
+C1COCCN1c2cc(nc(-c3ccccc3Oc4ccc(cc4C(O)=O)Br)c2)OCc5ccc(cc5)OC	1182
+C1COCCN1c2ccc(N)c(c2)[N+](=O)[O-]	106
+C1COCCN1c2c(F)cc(N3N=C(C(=O)C(=C3)OC)C(C)=O)c(F)c2	1183
+C1COCCN1c2cc(c(N3C=C(OC)C(C(=N3)C(=O)N(OC)C)=O)cc2F)F	2101
+C1COCCN1c2cc3nc([nH]c3c(c2)OC)C	2712
+C1COCCN1c2ccc([N+](=O)[O-])c(OCCC#N)c2	830
+C1CN(CCO1)c2cc(c(cn2)-c3cc(c(OC(F)F)cc3)F)Nc4c(C)c(-c5ccccn5)nc6cc(F)cc(F)c46	179
+C1COCCN1c2ncc(-c3cnc(cc3)N)c(c2)Nc4c(C)c(nc5cc(F)cc(c45)F)-c6ccccn6	1168
+O=S(=O)(Nc1c2c(cc(c1)N3CCOCC3)n(c(C)n2)Cc4c5c(ccc4)cccc5)C	1374
+C1CN(CCO1)c2cc(cc(N3CCOCC3)c2)Nc4nccc(N(C)c5cccc(Cl)n5)n4	55
+C1CN(CCO1)c2cccc(N3CC(=O)N(CC(O)CN4Cc5c(cccc5)CC4)CC3)c2	6885
+C1COCCN1c2cc(OCc3ccc(cc3)OC)nc(-c4ccccc4Oc5ccc(Br)cc5C=O)c2	46
+C1CN(CCO1)c2cc(CNCCOC)nc(n2)-c3cccc4[nH]ccc34	3967
+C1COCCN1c2c3n(ncc2)cc(C(OCC)=O)n3	1288
+FC(F)(F)c1c(C=C2Cc3c(cc(c(N4CCOCC4)c3)OC)C2=O)cc(Cl)cc1	1103
+FC(F)(F)c1c(c(Cn2c(nc3c2cc(N4CCOCC4)cc3C(OC)=O)C(F)F)ccc1)C	505
+C1COCCN1c2cc(c3nc(C)n(c3c2)Cc4c5c(ccc4)cccc5)N	13
+C1CN(CCO1)c2cc3n(Cc4cccc(C)c4F)c(C)nc3c(c2)C(=O)O	1
+C1CN(CCO1)c2cc(c3nc(C)n(Cc4cccc5c4cccc5)c3c2)C(=O)NS(=O)(=O)C	3968
+CC1(C)C(C)(C)OB(O1)c2ccc3nc(c(cc3c2)N4CCOCC4)NCc5ccc(cc5)OC	17
+C1CN(CCO1)c2c(cc(cc2)C=Cc3c4c(cccc4)[nH]n3)N	0
+C1CN(CCO1)c2ccc(c3nc(N)sc23)OC	2705
+C1COCCN1c2c3sc(-c4nc5c(n4C)cccc5)nc3c(cc2)OC	1652
+C1COCCN1c2c(cc(S(=O)(=O)NC)cc2)N	0
+C1CN(CCO1)c2ccc(N)cc2O	0
+C1CN(CCO1)c2cc(CO)c([N+](=O)[O-])cc2	41
+C1CN(CCO1)c2ccc(c(c2)NC(c3[nH]c4c(cccc4)n3)=S)OC	6886
+C1CN(CCO1)c2cc(N)c(C#N)cc2	0
+CC(C)(C)OC(=O)N1CC(CC(C1)O)CNc2c3c(nccn3)cc(-c4ccc(cc4)N5CCOCC5)n2	1165
+FC(F)(F)Oc1ccc(-c2ccc(cc2)N3CCOCC3)cc1C(=O)NC(Cc4c[nH]c5c4cccc5)CC#N	11
+c1cc(ccc1N2CCOCC2)-c3c(nc(C)s3)C4CCC(CC4C(=O)OC)F	2713
+c1cc(ccc1N2CCOCC2)-c3c(N)c(C(=O)OC)cc(n3)Br	119
+c1cc(ccc1-c2cccc3cc(sc23)C(=O)OC)N4CCOCC4	6887
+c1cc(ccc1-c2nc(N3CC4C(NCC4)C3)c5nccnc5c2)N6CCOCC6	1165
+C1COCCN1c2ccc(cc2)CNC(=O)Nc3cccc4cnccc34	282
+C1COCCN1c2cc([N+](=O)[O-])c(NC(C)=O)cc2	77
+C1COCCN1c2ccc3c(c2)c(c(cn3)C(OCC)=O)O	1861
+C1COCCN1c2ccc(cc2)Nc3nc(c4ccnc(c4n3)-c5cc(ccc5)[N+]([O-])=O)Cl	64
+C1COCCN1c2nc3ccc(c(c3cc2)Br)NC(OCc4ccccc4)=O	90
+C1CN(CCO1)c2cc3c(C(C)(C)CN3)cc2	621
+C1CN(CCO1)c2ccc3c(c(c(C(=O)OCC)cn3)Cl)c2	120
+C1COCCN1c2ccc3c(ccc(N)c3-c4c(cccc4)C)n2	890
+C1COCCN1c2nc3ccc(cc3cc2)N	0
+C1CN(CCO1)c2ccc3c(NC(=O)C4CCCC34)c2	6888
+C1CN(CCO1)c2ccnc(Nc3sc(cn3)-c4cncc(-c5cnn(c5)C)c4)c2	1029
+C1COCCN1c2c3n(ncc2)cc(C=O)n3	614
+C1CN(CCO1)c2cnc(c(c2)N)N3CCOCC3	13
+CC1(C)CN(c2c(C)c(-c3ccccc3)nc4c2cccn4)c5c1ncc(N6CCOCC6)c5	3969
+CC1(C)CN(c2c1ncc(N3CCOCC3)c2)c4c5cccnc5nc(c4C)-c6cc(F)cnc6	3969
+C1COCCN1c2cc3c(c(Cc4n5nc(Cl)ccc5nn4)c(cc3nc2)F)F	2102
+FC(F)(F)c1cccc(C(=O)Nc2cc(c(c(c2F)C(=O)c3cc4c(cc3)ncc(N5CCOCC5)n4)F)F)c1	50
+C1COCCN1c2cnc3c(cc(cc3)Sc4nnc5ccc(cn45)C(C)=O)c2	6889
+C1COCCN1c2cnc3c(cc(cc3)Sc4n5cc(ccc5nn4)C(C)=NO)c2	1375
+C1COCCN1c2cnc3c(c2)c(F)c(CC(=O)NN)c(F)c3	561
+C1COCCN1c2nc3c(ccc(C(c4cccc(NC(=O)Nc5cccc(F)c5)c4)=O)c3)nc2	124
+C1CN(CCO1)c2n3nc(-c4ccccc4)cc3nc(c2)NN	6890
+C1COCCN1c2cc(-c3cc(F)cc4c3cc[nH]4)nc(n2)-c5ccccc5	6891
+C1COCCN1c2scc(COc3ccc(C=O)cc3OC)n2	2088
+c1ccccc1CCS(=O)(=O)Nc2c(Oc3cccc(c3)OC)c(Cl)nc(n2)N4CCOCC4	570
+c1cc(ccc1)CNCc2nc(nc(N3CCOCC3)c2)Cl	294
+c1cc(ccc1)N(c2nc(N3CCOCC3)nc(-n4cncc4)n2)C	3970
+C1CN(CCO1)c2nc(nc3cc(NC(=O)C)sc23)Cl	2414
+C1N(CC1N(C)C(C)(C)C(=O)N)Cc2n(CC)c3c(c(N4CCOCC4)nc(Cl)n3)n2	566
+CN(C)C1CCN(CC1)Cc2n(CC)c3nc(Cl)nc(c3n2)N4CCOCC4	566
+c1cc(ccc1F)CNC(=O)c2c(cc(nc2N(C)CC)N3CCOCC3)C	1556
+C1CN(CCO1)c2nc(nc(c2)Cl)I	1653
+C1COCCN1c2cc(Cl)c([N+]([O-])=O)c(OC)n2	91
+C1COCCN1c2nc(Cl)nc(C=O)c2	2714
+C1CN(CCO1)c2nc(nc(Nc3ccccc3)c2)-c4cccc(O)c4	73
+C1CN(CCO1)c2cc(Oc3ccccc3)nc(-c4cc(ccc4)O)n2	185
+CC(C)(C)OC(Nc1cc(OC)c2nc(C(F)F)n(-c3nc(Cl)cc(N4CCOCC4)n3)c2c1)=O	1098
+C1COCCN1c2c3c(cc[nH]3)nc(-c4cc(ccc4)O)n2	16
+C1CN(CCO1)c2c3sc(C=O)cc3nc(Cl)n2	6892
+C1CN(CCO1)c2nc(nc3ccsc23)-c4ccc(C)c(N)c4	2099
+C1CN(CCO1)c2nc(-c3ccc(cc3)N)nc4c5c(n(cc5)CCN(C)C)ccc24	2099
+C1COCCN1c2nc(nc3n(c(CCN4CC(C4)(O)C)nc23)C)Cl	61
+C1COCCN1c2ccc3c(ccc(NC(=O)OCc4ccccc4)c3-c5ccccc5C)n2	495
+CC(C)(C)[Si](C)(C)Oc1cccc(c1)-c2c3ncn(C(C)CC)c3nc(N4CCOCC4)n2	154
+C1COCCN1c2cc(c3c(n2)n(c(n3)C)Cc4cccc5ccccc45)C(=O)O	1
+C1COCCN1c2ncc(-c3cnc(NS(=O)(=O)C)cc3)c(c2)Nc4c(C)c(nc5cc(F)cc(c45)F)-c6ccccn6	802
+CC(C)(C)OC(Nc1ncc(cc1)-c2n3c(nc(C=Cc4nc5ccccc5cc4)c3)c(nc2)N6CCOCC6)=O	6893
+C1COCCN1c2c3n(c(Br)cn2)cc(n3)C=O	614
+C1CN(CCO1)c2ncc(Br)n3cc(nc23)COc4ccc5c(cccc5)n4	1155
+C1CN(CCO1)c2ncccc2CCl	447
+C1COCCN1c2c3nc(CO)cn3ccn2	874
+C1COCCN1c2nn3cc(NC(c4c(cnn4C)C(N5CC(C5)F)=O)=O)ccc3n2	1020
+C1COCCN1c2nn3cc(ccc3n2)NC(=O)c4n(C)ncc4C(=O)O	6
+C1CN(CCO1)c2c(c(c(C(OCC)=O)s2)C(c3cc(c(Cl)cc3)Cl)CCO)C#N	237
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4csc(N5CCOCC5)n4)cc3)OC)n2	3931
+C1COCCN1c2scc(COc3c(OC)cc(cc3)CO)n2	41
+Cc1nc(ccc1[N+]([O-])=O)C=O	3971
+Cc1cccc(C)c1-c2nc(c(cc2)F)C=O	3971
+C1CS(=O)(=O)CCC1CCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc3c(n(C(C)C)c(C(=O)N4CCS(=O)(=O)CC4)c3)cc2	20
+C1CN(CCS1(=O)=O)CCN(CCN2CCS(CC2)(=O)=O)S(=O)(=O)c3c([N+](=O)[O-])cccc3	2715
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C4=NCC(S4)CC(=O)N5CCS(CC5)=O)[nH]3)c2)CC)cn1	10
+C1CS(CCN1C(=O)N2CC(c3ccc(cc3)OC(F)F)CC(C(O)=O)C2)=O	4
+C1CS(CCN1C(=O)N2CC(CC(C(OC)=O)C2)c3ccc(cc3)OC(F)F)=O	468
+c1cc(ccc1-c2cc(NC(c3sccc3)=O)ccc2C)C(Nc4ccc(cc4)CN5CCS(=O)(=O)CC5)=O	67
+FC(F)(F)C(=O)N=S1(CCN(CC1)c2ncc(cc2)C#N)=O	3972
+C1CSC2(S1)c3c(c(C)cc(C(O)=O)c3C)CCC2	595
+Cc1cc(cc(C)c1-c2cc(ccc2)C=O)OCC3(CCSCC3)O	626
+C1CC(CCS1)Nc2cc(cc(c2C)C(OC)=O)Br	231
+c1cc(C)n(c1C)-c2cc(F)c(c(F)c2)C3(CCSCC3)O	1589
+C1CC(CCS1)CCO	44
+C1CC(CCS1(=O)=O)N2c3c(N4C(C2=O)(COCC4)C)nc(nc3)Cl	991
+CC(C)(C)NC(c1sc2c(c1N)c(-c3cc(ccc3)NC(=O)N4CCSCC4)nc(n2)-c5ccccc5)=O	468
+C1CN(CCS1)C(c2c3n(ccc3c(Nc4cccc(Cl)c4)nc2)C)=O	1369
+FC(F)(F)Cc1ccc(cc1)C2CN(C(=O)N3CCSCC3)CC(C(OC)=O)C2	468
+FC(F)(F)c1c(F)cc(C2CC(C(OC)=O)CN(C2)C(=O)N3CCSCC3)cc1	468
+c1cc(ccc1)-c2nc(CCNC(=O)c3c(C(=O)N4CCSCC4)cnn3C)c(C)o2	1020
+c1cc(ccc1CC(F)F)C2CC(c3onc(n3)CCOC)CN(C(N4CCSCC4)=O)C2	468
+C1CSCCN1C(=O)N2CC(c3ccc(cc3)CC)CC(C(OC)=O)C2	468
+C1CSCCN1c2ncc(cc2)C#N	43
+c1cc(ccc1C2CN(C(N3CCSCC3)=O)CC(C2)C(O)=O)CC	4
+c1cc(ccc1NS(=O)(=O)C)C(NCCN2CCSCC2)=O	93
+C1CSCCN1c2ncc(cc2)CNC(c3ccc(cc3)-c4cc(F)ccc4)=O	14
+C1CSCCN1c2ncc(CN)cc2	388
+CC(C)(C)OC(=O)CN(CCN1c2c(cc([N+](=O)[O-])cc2)SCC1)C	303
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(nc23)-c4n5ccc(C(O)CO)cc5nn4)=O	3973
+c1ccccc1C2OC(CCC(C(CC(C(=O)N(C)C2C)CC(=O)NCc3ccc(cc3)Cl)O)O)=O	6894
+c1cc(ccc1OC)CN(c2nccs2)S(=O)(=O)c3cc4c(cc3)N(CCO4)c5ccccc5C(O)CO	3973
+c1nc(c2n1-c3c(c(C(C)C(CO)O)ccc3)OC2)C(=O)OCC	3755
+c1c(cc(c(I)c1)C=O)Br	1837
+c1c(cc(I)c(c1)C=O)Br	1837
+c1c2c(ccc(F)c2oc1)C=O	1837
+C=1(C(C(=O)OC)=C2N(CCC2)C(C=1F)=O)Cl	6895
+c1c2c(ccc1)c(F)c(nc2)O	3974
+C1CC(n2nc(c3cnc(cc23)-c4c(F)c(OC)cc(OC)c4)I)OCC1	6896
+c1(cc(-c2n(C)ncc2F)c(Cl)s1)C(=O)OC	6897
+c1c(cc2c(c(ncc2F)O)c1)Br	3974
+C1Cc2c(-c3c1c(sc3OCC)C(=O)N)n(C)nc2	767
+C(O)c1c2c(-c3c(CCC2)cccc3)ccc1	1146
+C1(c2c(CC1)cc(c(O)c2[N+]([O-])=O)O)=NO	189
+O=C1C(Cc2cc(c(c([N+](=O)[O-])c12)O)O)=Cc3ccc(c(OC)c3)OC	1103
+c1cc(ccc1CCCC)-c2c(c3[nH]c-4c(Cc5c-4ccc(N)c5)c3cc2)F	1150
+C1Cc2c(ccc(c2)F)C1O	74
+O=C(C(C#N)=C1CCc2cc(ccc12)F)OCC	6898
+c1c(cc2CCC(CC)(O)c2c1)F	6899
+[nH]1c-2c(Cc3c-2ccc(c3)F)c4c(C)cc(C)cc14	1150
+CC(Nc1c2c(CCCC2=O)c(c(F)c1)C)=O	3975
+C1Cc2c(cc(N)cc2)CCC1=O	0
+Clc1cc(Br)cc2CCC(=O)N(c12)C	239
+c12c(F)cc(Br)cc1CCC(=O)N2C	239
+N1c2c(CCC1=S)cc(cc2F)Br	199
+COc1cc([N+]([O-])=O)cc2c1NC(CC2)=O	297
+[N+](c1cc(F)c2c(CCN2)c1)([O-])=O	621
+CC(C)(C)OC(=O)Nc1c2c(ccc1)CCCN2	150
+c12c(c(C)c(c3c1CC(C)(O3)CI)C)N(CC2)C=O	6900
+c1c2c(c[nH]c2ccc1)CC(CO)NC(=O)c3cc(cc4c3OCCCC4)Br	14
+O=C1c2ccccc2C(=O)N1CC3Cc4c(O3)c5c(CCC5)cc4	332
+C1CC(=CC#N)c2c1cnc3OCCc23	2011
+c1cc(ccc1)COC(=O)Nc2ccc3c(CCC(=O)CC3)c2	90
+c1(F)c(c2CCNC(CC(OC)=O)c2cc1)Br	526
+c1cc(ccc1)NC(C(N2CCc3c(Cl)c(F)ccc23)CCO)=O	3976
+c1ccc(N)c(Nc2cc3c(C(c4ccc(OC)cc4CC3)=O)cc2)c1	1370
+C1(CCc2cc(ccc12)F)Cl	525
+c12ccccc1N(CCO)CC2	95
+C1Cc2c(nc(C)s2)-c3c(sc(C(=O)O)c13)SC	6
+C1Cc2c(nc(nc2)I)-c3c1c(nn3C)C(=O)N	247
+n1n(c2-c3c(CCc2c1C(N)=O)cnc(Nc4c(cccc4)C(C)=O)n3)C	6901
+Brc1cc2CCCNc2nc1	15
+CC(=O)N1c2c(cc(cc2C#N)CC(C)NCCOc3ccccc3OCC)CC1	6902
+FC(F)(F)COc1ccccc1OCCNC(C)Cc2cc(C#N)c3N(C(C)=O)CCc3c2	132
+COc1cc2c(cc1)C(C(CCCC)C2)=O	6903
+C1Cc2cc(OC)ccc2Sc3cccc(C(Cl)=O)c13	82
+c1cc(ccc1F)S(=O)(=O)N2CCCc3c2cc(c(c3)C)[N+](=O)[O-]	416
+FC(F)(F)c1cc(Nc2cc(cc(-c3sc(nc3)C4(O)c5c(CC4)cc(C(=O)OC)cc5)n2)C)ncc1	6904
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2cc3c(C(CC3)=O)cc2	2517
+C1(C(=O)c2c(ccc(Br)c2)CCc3c(c(ccc13)OC)C)=O	6905
+CC(C)(C)OC(N1CCc2n(nc(N3CCCc4ccc(cc34)C#N)c2C1)C5CCOCC5)=O	3723
+CC(C)N1CCCc2c1cc(C)cc2	3977
+C1Cc2ccc(nc2NC1)CCCl	221
+c1(nc2cc(ccc2nc1O)C(=O)OC)N3c4cc(OC)ccc4CCC3	6906
+c12cc([N+]([O-])=O)ccc1CCCN2C(=O)C	808
+O=S(=O)(c1c(OC)ccc(c1)Cl)N2CCCc3c2cc([N+]([O-])=O)cc3	416
+CC(C)(C)OC(N1c2c(CCC1)ccc(C(C)=O)c2)=O	603
+C1Cc2ccc(cc2NC1)COC	49
+C1Cc2ccc(cc2NC1)CO	88
+C1Cc2ccc(nc2NC1)CCC(N)=S	2670
+COP(OC)(CC(CCc1nc2NCCCc2cc1)=O)=O	3978
+C1Cc2ccc(nc2NC1)CCC#N	913
+c1c2CCC(=O)Nc2c(cc1C(=O)C)F	94
+CC1(C)C=Cc2cc(CC(NC3CCCc4ccccc34)=O)ccc2O1	9
+c12c(cccc1)CCc3c(cccc3)C2=CC4CNCCO4	215
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NC2CCC(CC2)=C3c4ccccc4CCc5ccccc35	71
+c12c(cccc1)CCc3c(cccc3)C2=CC4CNCCO4	25
+c12ccccc1CCc3c(cccc3)C2CC(O)=O	3471
+C1Cc2c(cc(c(n2)O)NC)-c3c1cccc3	6907
+C1Cc2nc(O)c(cc2-c3c1cccc3)Cl	6908
+c1c[n+](c2c(c1)CCCCC2)[O-]	341
+c1cc(ccc1CC(=O)NNC(=O)c2c(OC)c3n(c2)CCN(C)C3=O)F	2716
+C1Cn2c(C(N1C)=O)c(OC)c(c2)C(=O)O	6
+CC(C)(C)[Si](C)(C)OCC1CCn2c3ccccc3cc2C1	19
+C1Cn2c(C(N1C)=O)c(OC)c(c2)C(=O)OCC	542
+FC(F)(F)c1c(NC)nc(nc1)Nc2cnn3CCN(c23)C	486
+C1CN(C(=O)CC)CC1c2cc([N+]([O-])=O)ccc2OC	1564
+C1N(C(=O)CC)CCC1CC(NN)=O	743
+c1ccccc1COC(Nc2ccc(N3CC(N(CC3)C)=O)c(F)c2)=O	90
+C1N(C(=O)CN(c2ccc(N)cc2F)C1)C	0
+C1N(C(=O)Cc2cccs2)CCCC1C(Cl)=O	130
+C(=O)(C1CN(C(=O)Cc2cccs2)CCC1)NCC	68
+Cc1ccccc1-c2cc(c(C(=O)N3Cc4cccn4Cc5c3cccc5)cc2)OC	134
+c1cc(ccc1C)S(=O)(=O)OCCC2CCCCN2CCCCCCCCCCCCCCCCCC	36
+FC(F)(F)c1nnc2ccc(nn12)N3CCC(CC3)(c4ccc(cc4)OCCN5CCN(C(=O)C5)C)O	20
+C(OCC)(=O)c1c(sc2c1CN(C(OCC)=O)C2)N=COCC	6909
+C(C)OC(=O)N1Cc2c(C1)sc3ncnc(O)c23	1868
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(Cc2ccc(cc2)-c3cnc4C(=O)N(Cc4c3)C)C(=O)N)=O	156
+Clc1c2c(ccc1)CCN(C#N)CC2	6910
+C1C2c3cccc4N(CCN(c34)C2CCN1)C	215
+FC(F)(F)c1cccc(Oc2c(cc(COC=3C=C4N(C)CCN4C(N=3)=O)cc2)C#N)c1	2468
+C1N(C2=CC(=NC(=O)N2C1)Cl)C	6911
+c1cc(ccc1-n2nc(cc2NC3=NC(=O)CN3C(=O)C)C)F	6912
+C1N(CC1(F)F)c2c(nc(C(=O)O)cn2)Br	1
+FC(F)(F)COc1c(ncc(n1)C(=O)O)N2CC(F)(F)C2	1335
+C1N(CC1)C(c2cnc(Oc3cc(cc(OC(C)COC)c3)C(=O)Nc4nn(cc4)CC)c(Cl)c2)=O	136
+C1N(CC1)C(c2ccc(cc2)C(=O)O)=O	1
+C1N(CC1)C(c2cnc(c(Cl)c2)Oc3cc(cc(C(O)=O)c3)OC(CO)C)=O	1
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(Oc2c(Cl)cc(cn2)C(N3CCC3)=O)cc(c1)C(O)=O)C	19
+C1N(CC1)C2=NC3C(OC(CO)C(O)C3O)S2	59
+c1cc(ccc1C)S(=O)(=O)OCC2C(O)C(O)C3C(O2)SC(N4CCC4)=N3	36
+C1N(CC1)C2=NC3C(O)C(C(OC3S2)CO)OC(C)=O	59
+C1CCN1c2cc(nc3ccc(N)cc23)CCC	0
+C1CCN1c2cc(ncn2)Nc3ccc(cc3)C(O)=O	73
+C1CC2(CCN1C(Cc3cn4nc(C)sc4n3)=O)CN(C2)C5c6c(CC5)cc(-c7cc(C)ncn7)cc6	10
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CC4(C3)COC4	372
+C[Si](C)(C)CCOCn1cc(C(=O)NC(C2CC2)C(N3CC(C3)C#N)=O)c4nc(N5C(=O)c6c(C5)c(Cl)ccc6)cnc14	2717
+C1N(CC1C(=O)O)c2ncccc2Br	270
+C1C(CN1C(OCc2ccccc2)=O)C3(CC3)C(OCC)=O	6913
+C1N(CC1C(=O)N2CCCN(C(C)C)CC2)C(=O)c3cnc(C)cc3	85
+C1C(CN1c2ncccc2Br)C(=O)OC	3979
+C1C(CN1c2nc(C)nc(-n3nc(nc3C)C)c2)c4nc5ccccc5[nH]4	791
+FC(F)(F)C1CCC(CC1)Oc2ccc3cc(ccc3c2)CN4CC(C4)C(OC)=O	20
+C1N(CC1CCCCNC(c2cc3cnccc3[nH]2)=O)C(c4ccccc4)=O	81
+CC(C)(C=C(C(N1CC(C1)Cn2c3c(nc2NC(c4sc(cc4)C(F)F)=O)cccc3)=O)C#N)N(C)C	847
+C1C(CN1c2ncccc2)NC3=C(S(=O)(=O)N(C(C)C)C3=O)c4ccccc4	1904
+CC(C)(C)[Si](C)(C)OC1CN(C1)C(=O)OCc2ccccc2	19
+O=S(=O)(OC1CN(C1)C(c2nnc(-c3ccc(cc3)OC)o2)=O)C	7
+C1C(CN1C(=O)c2cc(-c3c(cc(C)cc3)C#N)cc(C(=O)O)c2)O	6
+C1C(CN1CCc2c(cccc2)N3CCCCC3=O)OS(=O)(=O)C	7
+O=S(=O)(OC1CN(C1)c2c(c3N(C=C(C(=O)OCC)C(c3cc2F)=O)C4CC4)F)C	7
+CC(C)(C)[Si](C)(C)OCCN(C(c1nc(N2CC(C2)O)sc1)=O)C	19
+C[Si](C)(C)c1c2n(Cc3cc(F)ccc3)c(C(=O)Nc4cnc(cc4)N5CC(C5)O)cc2ccc1	510
+C[Si](C)(C)c1cc2c(cc(C(=O)Nc3cnc(cc3)N4CC(C4)O)n2Cc5cccc(F)c5)cc1	510
+C1N(CC1O)c2ncc(cc2)N	13
+c1ccccc1NC(c2cnc(cn2)N3CC(C3)Oc4cc(ccc4Br)F)=O	466
+C1C(CN1C(Nc2cccnn2)=O)Oc3ncc(-c4c(c(ccc4)OC)F)cc3	89
+C1C(CC1)(CCN2CC(C2)Oc3ccc(cc3)Cl)NC(Nc4nnc(CC)s4)=O	238
+C1N(CC1Oc2ncc(cc2)-c3cc(O)ccc3)C(Nc4cnccc4)=O	796
+C1C(CN1C(N)=NO)c2onc(-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)n2	3699
+c1c2c([nH]c3C(CC=C)(CN(Cc23)C)C)ccc1C	518
+c1cc(ccc1C2C(c3ccc(c(c3)F)Cl)=C(c4cc(ccc4O2)OC5OCCCC5)C)OCC(C)N6CCC(CF)C6	669
+C1N(CCC1COC(=O)Nc2c(cccc2)-c3cc(CO)ccc3)C	11
+FC(F)(F)c1cc(C(NCC(=O)NC2CCN(C2)C3CCCCC3N=[N+]=[N-])=O)ccc1	9
+FC(F)(F)C(NCCNC1CN(c2ccnc3ccc(OC)nc23)CC1)=O	605
+Clc1cccc(C(NCc2cc(OCC3CN(C)CCC3)c(Cl)cc2)C)c1	72
+C1N(C)CCCC1Cn2cc(-c3cc(C#N)ccn3)nc2	871
+C1N(CCCC=O)C(=O)CCCCC1	465
+Nc1cc(C)cc(-c2sc(nc2Cl)N3CCCNC(=O)C3)c1	836
+Cc1nc(N)nc(NCCCC)c1Cc2c(OC)cc(cc2)N3CCN(CC3=O)C	654
+c1ccccc1-n2c(cc(n2)-c3cccnc3)NC(NC4C(c5cc(F)c(cc5)F)CN(CCOC)C4)=O	6914
+C(COc1cc(C(Nc2sc3CN(CCc3n2)C)=O)ccc1)(Nc4cccc(C#N)c4)=O	900
+Nc1sc2CNCCc2n1	526
+C1N(CCc2c3C(N(C=Nc3sc12)CCCl)=O)C	6915
+C1N(CCc2ccnc3c2nc(OC)cc3)CCCC1CNCc4ccc5c(n4)NC(=O)CS5	294
+CN(C)CC(=O)N1c2ccc([N+]([O-])=O)cc2CC1	224
+CN1C=C(C=C(C1=O)Nc2cccc(N3CC(NC(C=C)=O)CCC3)n2)Br	523
+c1cc(ccc1S(=O)(=O)Cl)C(=O)N2CCN3CCCC3C2	115
+O(c1nnc(cc1)Cl)C2CCN3CCCC2C3	485
+O=S(=O)(C)OCC1CN2C(CC1)CN(CC2)c3noc4ccccc34	7
+O=Cc1cc(ccc1O)-n2nncn2	6916
+c1(Cl)cc2c(C=O)c[nH]c2nc1	6917
+Fc1cc(cc(F)c1O)C=O	1934
+O=Cc1cc(cc(Cl)c1O)Br	1934
+c1(O)c(cc(cc1F)Br)C=O	1934
+N1C(CN=C(c2c([N+]([O-])=O)cccc2)c3ccsc13)=S	2718
+N#Cc1c(OCCOCCOC)cc2c(C(c3c(cccc3)Cl)=NCC(N2)=S)c1	199
+Clc1cc(c(cc1)C2CNC(=O)C2)Br	480
+C1NC(=O)CC1c2ccc(Cl)c(N)c2	0
+c1ccccc1CCCOc2cc(ccc2OC)C3CNC(=O)C3	8
+c1c(ccc(c1Cl)Cl)C=CC(=O)N2CCNC(CC2)=O	404
+FC(F)(F)c1cnc(cc1)N2CC(NCC2)=O	3980
+O=S(=O)(Cc1c(OCCN2CC(NCC2)=O)cc(C(Nc3ccc(Cl)c(-c4ccccn4)c3)=O)cc1)C	1508
+c1([N+]([O-])=O)ccc(N2CC(=O)NCC2)nc1	3980
+O=C(N1CC(=O)NCC1)c2c(c(c(cc2)F)Cl)Cl	6918
+c1cc(ccc1C2CN(CC(=O)N3CCNC(=O)C3)C(=O)C2)Cl	348
+c1cc(ccc1)CCN2CCNC(=O)C2	1508
+CC(C)(C)OC(=O)N1C(Cc2c3c(cccc3)[nH]c2C1)C(=O)O	663
+n1cccnc1-c2c(C(N3C(CCC(O)C3)C)=O)ccs2	3866
+C(C)OC(=O)N1C(CNC(C1)C)C	66
+c1([N+]([O-])=O)ccc(c(F)c1)N2C(CNC(C)C2)C	34
+C1NC(NCC1)=NCCCOc2ccc3CC(CC(O)=O)c4c(Cc3c2)cccc4	3
+c1cc(ccc1[N+]([O-])=O)N2CCC3C2CCN3	34
+O=S(=O)(N1CC(Nc2c(C(=O)N)cnn3c2cc(Br)c3)C(C)C1)C	112
+c1(NC2CN(c3ccc(cn3)C#N)CC2C)c(C(=O)N)cnn4c1cc(c4)Br	323
+C1CC1C2(CN(C2)c3cc(Nc4n[nH]c(c4)C)nc(n3)SC)F	54
+C1C(CN1c2nc(S(=O)(=O)C)nc(c2F)Nc3cc(n[nH]3)C)(F)C4CC4	54
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(ccc(F)c2Cl)F)=O)C3CCCCN3C	112
+C1N(CC1(C(=O)N)NCC)c2ccnc3c(c(nn23)-c4c(cccc4)Cl)I	1575
+C1C2(CN1c3c([N+](=O)[O-])cc(c(c3)OC)Nc4nccc(n4)-c5cnn6c5CCCC6)N(CCC2)C	34
+CC(C)(C(c1cc(cc(c1)F)C(=O)OCC)C2CN(C2)C(c3ccc(cc3)C#N)c4cccc(c4)C#N)F	1109
+C1C(CN1C(c2cccc(c2)C#N)c3ccc(cc3)Cl)C(C(C)(C)F)c4cc(cc(F)c4)C(=O)OCC	1109
+CC(C)(C)OC(=O)NCCCN1CC(C1)Cc2ccc(cc2)Cl	28
+C1C(CN1CC2Oc3c4ccc(C)nc4ccc3OC2)Cc5cn(c6c5cc(F)cc6)C	2510
+C1C(CN1C(c2cnn(C)c2C(=O)Nc3ccn4nc(nc4c3)N(C)C)=O)F	1020
+FC(F)(F)COc1cc(ccc1Br)C(N2CC(C2)F)=O	30
+C1C(CN1c2ncnc3c2c(I)nn3C)F	1577
+FC(F)(F)c1cc(Br)cc(C(N(CC(CCN2CC(C2)N3C(COCC3)CCO)c4ccc(cc4)F)C)=O)c1	61
+C1N(CC1N2CC(C2)NC(=O)C=C)C(CNc3cc(c(Cl)cc3O)Cl)=O	10
+c1cc(ccc1C(Nc2nc(Nc3cnccn3)cc(n2)N4CC(C4)NC(C)=O)C)F	54
+O1CCOC1c2cnc(cc2)-c3sc4c(nccc4Oc5ccc(cc5F)NC(=O)NC6CN(C6)C)c3	113
+C1OCC1N2CCC(CC2)c3cc(N4CC(C4)OC)nc(c3)Cl	43
+C1C(CN1c2ncc(cn2)C(=O)OC)OC	117
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)N2CC(C2)OCCOC3CCCCO3	560
+C1C(CN1c2cnc(cn2)C(OC)=O)Oc3cc(ccc3Br)F	317
+CC(C)(C)OC(NC(CCN1CC(C1)Oc2ccc(cc2)Cl)COC)=O	183
+CC(C)(C)OC(=O)NC1(CCC1)CC(=O)N2CC(C2)Oc3ccc(cc3)Cl	10
+C1C(CN1C(Oc2ccc(cc2)[N+]([O-])=O)=O)Oc3ccc(Br)cn3	66
+c1cc(ccc1)C(c2ccccc2)(O[SiH2]C(C)(C)C)C(CCN3CC(C3)S(=O)c4ccc(cc4)Cl)NC(OC(C)(C)C)=O	183
+c1(Cl)cncc(Cl)c1N2CC(C2)c3[nH]c4c(n3)ccc(C)c4	264
+C1N(CC1c2onc(n2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)C#N	739
+C1C(CN1C(=O)c2[nH]c3ccccc3n2)c4nccnc4Cl	2090
+C1NCC2C(C)c3cc(Cl)c(cc3C12)O	5
+C1NCC2C(C)c3cc(Cl)c(cc3C12)OC	196
+c1cc(ccc1)COC(=O)N2CC3C(=O)CCC3C2	66
+c1nc(ncc1C(OCC)=O)N2CC(Oc3ccccc3OCC)CCC2	117
+CC(C)c1c(C)nc(SC)nc1N2CCOc3ccc(cc3C2)-c4cc5nc([nH]c5cc4)C	54
+CC(C)(C)OC(=O)N1CCc2sccc2CC1	23
+c1ccccc1CSc2nc(N3Cc4n(CC3)ccn4)c(C(OC)=O)c(NCc5ccc(c(c5)Cl)OC)n2	54
+FC(F)(F)c1cnn2c(ncc2-c3cccc(c3)-c4cnccc4)n1	6919
+C(#N)c1c(-c2cc(N)c(cc2)-n3nccc3)cccc1	749
+C(#N)c1c(cccc1)-c2cc([N+]([O-])=O)cc(F)c2	749
+c1cc(ccc1OCCN2CCOCC2)-c3cc4c(C=O)c[nH]c4cc3Cl	749
+c1cc(ccc1OCCO)-c2c(F)c3c(C=O)c[nH]c3cc2F	749
+c1cc(ccc1NC(Nc2c(c(C3CC3)cc(-c4c(cccc4)C#N)c2)OCCC)=O)C5CC5	749
+c1ncccc1-c2cccc(Br)c2	6920
+C1(c2nc3cc(ccc3n2-c4cccc(C(=O)OC)c4C)F)CCCO1	3981
+C1SC(N)=NC2(c3c(F)ccc([N+]([O-])=O)c3)C1CC(CO)OC2	6921
+C1(OC2CC(CC(c3ccc(c(c3)Cl)Cl)C(=O)OC)CC2)CCCCO1	434
+O=C(O)c1ccc(c(F)c1Nc2c(F)cc(cc2)C#CCOC3OCCCC3)F	275
+C1OC(CCC1)OCC(n2c3c(c(C(=O)c4cncc(N)c4)c2)cncn3)C	3982
+C1OC(CCC1)OCC(n2c3c(c(C(=O)c4cncc(N)c4)c2)cncn3)C	3983
+CC(C)c1cn(nn1)CC(=O)Nc2cncc(c2)C(=O)c3c4c(ncnc4)n(c3)C(COC5CCCCO5)C	469
+c1c2c(ccc1)nn(n2)CC(Nc3cc(cnc3)C(=O)c4c5c(ncnc5)n(c4)C(COC6CCCCO6)C)=O	469
+C1OC(CCC1)OCC(n2c3c(c(C(=O)c4cc(cnc4)Br)c2)cncn3)C	6922
+C1OC(CCC1)OCC2CCc3cc(NC(C)=O)ccc3O2	125
+CC(=O)Nc1ccc2c(CCC(CO)O2)c1	168
+C1OC(CCC1)OCC2CCc3cc(N)ccc3O2	0
+C1CC12CCC(COC3CCCCO3)N2C	6923
+C1OC(CCC1)OCC2Oc3c(N)cc(cc3CC2)F	0
+C=1C(=O)C(OCCCCn2ccc3ccccc23)=COC=1COC4OCCCC4	339
+CC(C)(C)[Si](C)(C)OC1(CCN(CC1)C(=O)OC(C)(C)C)c2n(CCOC3CCCCO3)cc(n2)-c4ccc(c(C)c4)F	541
+c1c(OCCOC2OCCCC2)c(cc([N+]([O-])=O)c1)OC	8
+c1cc(c(C=O)c(F)c1OCCOC2OCCCC2)F	8
+c1cc(OC)cc(C=O)c1OCCOC2OCCCC2	8
+O=S(=O)(c1c(F)ccc(F)c1)N(COC)c2c(c(ccc2)-c3nn(cc3Br)CCOC4OCCCC4)F	338
+C1OC(CCC1)OCCOc2cccnc2CO	458
+c1ccccc1CCCC(C)(Cc2ccc(cc2)OCCOC3CCCCO3)C(=O)OCC	8
+c1cc(ccc1CC(Oc2ccccc2)C(OCC)=O)OCCOC3CCCCO3	8
+c1cc(ccc1C(C)C)OC(Cc2ccc(cc2)OCCOC3OCCCC3)(C)C(=O)OCC	8
+c1cc(ccc1)COc2ccccc2OCCOC3OCCCC3	8
+c1c2nccc(c2ccc1OCCOC3OCCCC3)-c4c5n(nc4-c6ncccc6)CCC5	8
+C1OC(CCC1)OCCC#CCO	6924
+c1cc(ccc1OCC#CCCOC2OCCCC2)S(=O)(=O)N3C(C(=O)OC)C(C)(C)SCC3	6925
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC#CCCOC3OCCCC3	6926
+c1cc(ccc1)COC(=O)CCOC2OCCCC2	283
+c1(C)cc(cc(C)c1Br)OCCCOC2CCCCO2	8
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCCCCCCCCCC#CCCCCOC3CCCCO3	2354
+CC(C)(C)OC(COCCCCOC1CCCCO1)=O	337
+O=C1N(c2c(cc(cn2)Oc3cncc(Cl)c3)C(N1CCCOC4OCCCC4)=O)C	3984
+CC(C)(C#N)c1nn(-c2cc(OCCOC3CCCCO3)ccc2)c(N)c1	20
+C1OC(CCC1)OCCOc2nc(Oc3ccc(Br)c(C=O)c3)ccc2C#N	136
+O=S(=O)(C)OCc1ncccc1OCCOC2CCCCO2	710
+CC1(C)OB(OC1(C)C)c2c(C=O)cc(Oc3ccc(c(OCCOC4CCCCO4)n3)C#N)cc2	17
+FC(F)(F)C(c1ccc(cc1CCOC2CCCCO2)OC)(O)C	6927
+c1(cc(CCOC2OCCCC2)ccc1)C=O	146
+c12c(c(c(Cl)cc1C)COC3OCCCC3)cc[nH]2	1654
+CC(C)C(NCc1cncc(c1COC2OCCCC2)Cl)=O	68
+CC(C)(C)OC(=O)CC(c1cc(-n2c(cnn2)COC3OCCCC3)ccc1)=O	6928
+CC(C)(C)OC(N1CCC2(CC1)Oc3ccc(C=CC(NOC4OCCCC4)=O)cc3C(C2)=O)=O	793
+CC(C)CC(C(=O)NOC1CCCCO1)C(CCC)O	293
+CC(C)CC(C(=O)NC(CCc1ccccc1)C(=O)NC)CC(=O)NOC2CCCCO2	293
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCC(S(=O)(=O)C)(C(NOC3CCCCO3)=O)C	293
+CN(C)c1ccccc1CN2CC(CC2)Nc3cnc(C=CC(NOC4CCCCO4)=O)cn3	793
+O=S(=O)(C(CCc1ccc(cc1)Br)(C(NOC2CCCCO2)=O)C)C	293
+O=S(=O)(C)C(CCn1ncc(-c2cnccn2)c1)(C)C(NOC3CCCCO3)=O	1376
+C1CC1C#Cc2cc(no2)CCC(S(=O)(=O)C)(C)C(NOC3CCCCO3)=O	293
+O=S(=O)(c1ccc2ncnc(Nc3cc(ccc3)C#C)c2c1)n4cc(cc4)C=CC(=O)NOC5OCCCC5	793
+O=S(=O)(n1cc(cc1)C=CC(=O)NOC2OCCCC2)c3cc(ccc3)Br	793
+c1cc(ccc1)C=2C=CN(C(=O)C=2C)CCC(C)(C(NOC3CCCCO3)=O)S(=O)(=O)C	293
+c1cc(ccc1)CN2CCC3(CCC2)Oc4c(cc(C=CC(NOC5OCCCC5)=O)cc4)C(C3)=O	793
+O=S(=O)(C(CCc1ccc(cc1)-n2cccn2)(C(NOC3CCCCO3)=O)C)C	293
+c1cc(ccc1CCC(C(=O)NOC2CCCCO2)(S(=O)(=O)C)C)Oc3ccccc3	293
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(NOC3OCCCC3)=O)=O	793
+c1cc(ccc1C(=O)N(C(C(NOC2CCCCO2)=O)(C(NC)=O)C)C)I	6929
+c1ccccc1CS(=O)(=O)n2cc(C=CC(=O)NOC3OCCCC3)cc2	793
+c1nc(ncc1C(=O)NOC2CCCCO2)N3Cc4[nH]c5ccccc5c4CC3	6930
+C(OC(=O)CC1OB(c2cc(cc(C)c12)O)O)C	805
+C(OC(=O)CC1OB(c2cc(O)cc(Cl)c12)O)C	805
+FC(F)(F)S(=O)(=O)Oc1cc(OC2OCCCC2)cc(c1C=O)Cl	166
+FC(F)(F)Oc1ccc(cc1)COc2nc3c(cc2)cc(OC4CCCCO4)cc3	1155
+C1OC(CCC1)c2c(c(nc(C)c2C#N)Cl)C#N	1655
+C(#N)c1c(nc(c(c1C2OCCCC2)C#N)C)S	3985
+C(F)C1(CF)OCC(CO1)COc2c(C)c(CO)ncc2	813
+c1cc(OC)c(CC2COC(=O)N2CCC)cc1Br	3986
+c1(c(F)c(OCC(O)C)c(cc1)[N+]([O-])=O)F	168
+C1OC(CF)(CF)OCC1COc2c(C)c([n+]([O-])cc2)C	857
+C(C#CCCCCCCCC#C)CCCO	168
+O=C(C)OC1COC(n2c(Br)nc3cc(c(F)cc23)F)C(O)C1O	59
+c1c(F)c(ccc1F)C(C(C)c2ncccc2)(Cn3ncnc3)O	1377
+c1c(F)c(ccc1F)C(C(C)c2cccnc2)(Cn3ncnc3)O	1377
+C1CC2(OCC(CO2)COc3cc[n+]([O-])c(c3C)CO)CCO1	3987
+c1(ccc(cc1Br)F)C2C(C(=O)OCC)=C(N=C(c3sc(OC)cn3)N2)CN4C(CO)COCC4	2644
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ccc(CN5CCOCC5=O)cn4	3463
+C1C(CO1)(C)C(c2ccc(C)o2)N	18
+C1OCC1(C(N=[N+]=[N-])c2oc(C)cc2)C	6931
+CC(C)(C)OC(=O)N1c2cc(Cl)ccc2C(=Cc3c(ccc(c3)Cl)OCC4(COC4)C)C1=O	1881
+C1C(CO1)(COC)CBr	76
+C1C(CO1)(CO)Cn2cc(cn2)[N+]([O-])=O	338
+C1OCC1(CC(=O)N)N	728
+c1cc(ccc1S(=O)(=O)OCC2(COC2)C)C	36
+C1OCC1(CC(=O)O)c2ccc(cc2)OCc3cc(-c4c(C)cc(cc4C)OCC5COCC5)ccc3	3
+c1cc(ccc1-c2cc(COc3ccc(cc3)C4(COC4)CC(OCC)=O)ccc2)O	11
+C1OCC1(c2ccc(cc2)OCc3cc(-c4c(C)cc(cc4C)OCC5COCC5)ccc3)CC(=O)OCC	267
+FC(F)(F)COc1c(C2CC2)ccc(C(NC3(COC3)c4nccs4)=O)n1	81
+c1cc(ccc1)CNC2CCC3(CC2)COC3	87
+c1cc(ccc1O)C2(COC2)CC(=O)OCC	6932
+CC(C)(C)OC(N1CCN(C2COC2)C(C1)CO)=O	85
+CC1(C)N(CCN(C1)c2ccc(cc2OC)[N+](=O)[O-])C3COC3	85
+C1OCC1N2CCN(C(C2)CC)c3ccc(nc3)NC4=CC(=CN(C4=O)C)Br	85
+O=S(=O)(CCC)NCc1ccc2c(C(Cc3ccccc3)C(CC2)NC4(COC4)C#N)c1	6933
+FC(F)Oc1cc(-c2nc(nc(c2)C3CCN(CC3)C4COC4)C5CC5)cnc1N	85
+C1C(CO1)N(Cc2n(nc(c2)[N+]([O-])=O)C)C	85
+C1C(CO1)N2Cc3cc(NC4=CC(=CN(C4=O)C)Br)nn3CC2	85
+c1cc(ccc1CN2c3c(C(=O)N(C2=O)Cc4ccc(cc4)C(NCC5COC5)=O)cccc3)C	14
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)NC3COC3	6934
+FC(F)(F)c1c(N)ncc(c1)-c2nc(N3CC(C3)OC)cc(C4CCN(CC4)C5COC5)c2	1608
+CC1(C)OB(OC1(C)C)C=2C=C(Nc3ncc(N4C(CN(CC4)C5COC5)CC)cc3)C(=O)N(C)C=2	1371
+C1C(NC(=O)c2cncc(N)c2)(CCO1)C(=O)O	1317
+CC(C)(C)OC(=O)N1CC(c2cccc(c2)F)NC(=O)C13COCCOC3	1568
+c1([N+]([O-])=O)cc-2c(OCc3n-2cc(C(=O)OC)n3)cc1	31
+C1c2c(c(F)c(F)c(OCOC)c2I)OCC1	184
+O=S(=O)(c1ccccc1F)Nc2ccc3C4C(COc3c2C(OC)=O)OCC4	69
+FC(F)(F)S(=O)(=O)Oc1cccc2c1NC(CNC(=O)C)CO2	166
+c1cc(ccc1C)SC(CCCCCN2Cc3cc4c(cc3CC2)OCO4)c5ccc(c(c5)OC)OC	28
+C(NCCCNc1cc2OCOc2cc1)C3COc4ccccc4O3	15
+c1cc(ccc1OC2CCCN(Cc3ccc4c(c3)OCO4)C2)N	171
+c1ccccc1C(c2ccccc2)(C3CN(Cc4ccc5OCOc5c4)CC3)C(N)=O	171
+C1Oc2ccc-3c(c2C1)C(=CC#N)c4c-3cccc4	2719
+C1Oc2cccc(c2NC1CNC(C)=O)OC	206
+C1Oc2c(c(ccc2)O)NC1CNC(C)=O	5
+O=S(=O)(c1ccc(cc1)C)OCC2Nc3c(OC)cccc3OC2	36
+CC(C)(C)OC(N=C1NC2(COC(CC2CS1)CO)c3cc([N+](=O)[O-])ccc3F)=O	2720
+C1SC=2C(N3C(C=CC(C(=O)N)=C3)=NC=2C1)=O	6935
+C1SC=2C(N3C(C=CC(=C3)C(=O)O)=NC=2C1)=O	108
+C1SC=2C(N3C=C(c4nnn[nH]4)C=CC3=NC=2C1)=O	6936
+C1SC=2C(N3C(C=CC(C#N)=C3)=NC=2C1)=O	6937
+C(=O)(Cc1ccc2SCc3c(cccc3)C(=O)c2c1)OCC	1643
+c1ccccc1COC(N2CCc3c([nH]c4c3cccc4)C2)=O	613
+c1ccccc1COC(N2CCc3c([nH]c4c3cccc4)C2)=O	66
+C1c2c(cncc2C(NC(CC)=O)C1)-c3cc4CCC(N(c4cc3)C)=O	156
+c1c(sc(-c2cc3CN(C(c3cc2)=O)C)c1)I	1927
+C1Cc2c(C(c3cccc(c13)O)=O)ccc(Cl)c2	5
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(=O)c2cc1	166
+c1c2CCCC(c2ccc1OCCCl)=O	267
+O(c1cc2CCCC(c2cc1)=O)c3ncc(cc3)C(=O)N	136
+C1c2c(Br)cncc2C(NC(CC)=O)C1	9
+C1CC(Cc2c1c(ccc2)O)O	100
+c12c(CC(C1)(C(NC)=O)CCCCCCCCO)c(c(OC)c(OC)c2OC)OC	9
+C1C(Cc2cc(Oc3ncc(cc3)C(=O)N)ccc12)C=O	24
+C1C(CO)Cc2ccc(O)cc12	6938
+C1c2c(CC1Nc3nc4CCN(C(c5ncc(cc5)-c6nn[nH]c6)=O)Cc4cn3)cccc2	6939
+C[Si](C)(C)C#Cc1cnc(cc1)C(N2Cc3c(CC2)nc(NC4Cc5c(C4)cccc5)nc3)=O	683
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(OCCCc5c[nH]nn5)=O)cccc2	6940
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(OCCCC#N)=O)cccc2	913
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(=O)OCCCc5nnn[nH]5)cccc2	3988
+C[Si](C)(C)C#Cc1cc(C(=O)N2Cc3cnc(NC4Cc5ccccc5C4)nc3CC2)cnc1	683
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(=O)OCCCCl)cccc2	66
+C1c2c(CC1Nc3nc4c(CN(C(=O)c5cncc(Br)c5)CC4)cn3)cccc2	211
+C1c2c(CC1Nc3nc4CCN(C(c5ncc(Br)cc5)=O)Cc4cn3)cccc2	147
+c12c(OC(N)=C(C#N)C1c3cc(c(c(c3)OC)OC)Br)c4CCCCc4cc2	6941
+CC(C)Oc1c(ccc2c1CCCC2)OC	521
+FC(F)(F)c1cc(NC(=O)c2nccc(N3Cc4c(C3)cnc(SC)n4)c2)ccc1	1465
+FC(F)(F)c1cc(ccc1)N2C3=C(C(=O)CCC3)C(c4ccc(cc4)C#N)N(CC(=O)N5Cc6c(n(nc6)C)C5)C2=O	10
+Clc1c2c(c(Cl)s1)CNC2	2721
+OC1c2cc(cc(F)c2CCC1)Br	74
+c12N(C)C(=O)CCc1cc(cc2)-c3cc(ccc3)F	239
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCO)OC)OC	44
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCN3C(c4c(cccc4)C3=O)=O)OC)OC	1656
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCNC(=O)C)OC)OC	68
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCN)OC)OC	45
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCOS(=O)(=O)C)OC)OC	7
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCI)OC)OC	572
+c1ccccc1-c2c(-c3ccccc3)ncc(N(C)C4CCc5c4cccc5OCOC)n2	317
+C(c1cc2c(cc1)C(Cc3c(S2)cccc3)=O)O	49
+C1CCOc2c1c(I)c(O)c(F)c2F	241
+C1c2c(cc(c(c2)O)F)CCC1C(=O)O	5
+C(OC)(=O)C1Cc2c(cc(c(c2)O)F)CC1	27
+C1c2c(cc(cc2Cl)F)C(C1)(O)CC(=O)O	3
+Ic1cc2c(CCNC2=O)[nH]1	3989
+C1c2c(ccc(Br)c2)CC1N3C(=O)CN(CCc4cc5COC(=O)c5cc4)CC3	2575
+C(OC)(=O)C1Cc2c(ccc(c2)O)CC1	27
+c1cc(ccc1)C(=C2c3ccccc3N(C2=O)C(C)=O)OCC	6942
+c1([N+]([O-])=O)ccc2c(CC(=O)N2C(=O)C)c1	31
+c1cc(ccc1C(=O)N2c3c(cccc3)Cn4c(C2)ccn4)[N+]([O-])=O	448
+[N-]=[N+]=NC1CCc2c(cccc2F)NC1=O	6943
+CC(C)(C)OC(COc1cccc2c1CCCC2=O)=O	52
+Clc1ccc(c(COc2c3CCCC(c3ccc2)=O)c1)Br	22
+c1cc(ccc1)COc2c3c(ccc2)C(CCC3)=O	22
+c12CCCC(c1cncc2Br)=O	6944
+C1c2c(nc(C(=O)O)s2)CC1	6
+FC(F)(F)c1cc(COc2ccc3c(c4CCC(c4[nH]3)CC(OCC)=O)c2)ccc1CC5CCCCC5	22
+FC(F)(F)c1cc(ccc1OCC2CC2)COc3ccc4c(c5CCC(c5[nH]4)CC(OCC)=O)c3	139
+c1cc(ccc1COc2ccc3c(c2)c4CCC(c4[nH]3)CC(OCC)=O)-c5csnn5	22
+c1cc(ccc1COc2ccc3c(c2)c4CCC(c4[nH]3)CC(OCC)=O)-c5nccnc5	6945
+C1CC(CN)Cc2[nH]c3c(c12)c(ccc3C(=O)N)Br	6946
+C1c2c3c([nH]c2C(CC(OCC)=O)C1)ccc(O)c3	5
+c1cc(ccc1C(C)C)SCc2cc3CCN(CCc3cc2)CCC	2722
+CC(C)CN(CC(OC)=O)C(CNC(=O)C1COc2ccc(cc2C1)OC)=O	207
+C1c2cc(CCl)ccc2CCN(CCC)C1	438
+C1c2ccc(c3c2c(ccc3)C1)N4CCNC(C)C4	79
+C1c2ccc(N3CC(C)N(CCC4c5c(CCO4)cc(cc5)C(=O)N)CC3)c6c2c(ccc6)C1	123
+c12c(nc(C=Cc3cc4C(=O)c5c(COc4cc3)cccc5)cc1)cc(Cl)c(F)c2	3990
+c1cccc2CC(Cc12)(NC(=O)c3ccc(c(OCCc4cc(C)ccc4)c3)Br)C(=O)OC	259
+c1cccc2CC(Cc12)(C(=O)OC)NC(=O)c3cc(Br)c(c(c3)F)OC	259
+c1c2CC3(N(C)C(=O)NC3=O)Cc2cc([N+]([O-])=O)c1	77
+C1CCN(C1)C2Cc3c(C2)cc(cc3)[N+](=O)[O-]	31
+c1ccccc1N(CCCC2CCCCN2Cc3ccccc3)C4Cc5c(cccc5)C4	79
+c1c2c(ccc1)CC(C2)Nc3c4nc[nH]c4nc(-n5nc(C)cc5C)n3	2723
+C1c2ccccc2CC1Nc3c4nc[nH]c4nc(NN)n3	1657
+CC(C)(C)OC(Nc1cc(N2CCc3c(cnc4ccnn34)C2)ccc1)=O	79
+CC(C)(C)OC(=O)N1Cc2c(cc(cn2)Br)C1	23
+c1(CN2Cc3c(C2)nccc3)nn4c(c5c(nc4N)c(ccc5)COC)n1	894
+CC(C)(C)OC(=O)Nc1cc2c(CCC2)s1	2724
+C1c2sc(C(=O)O)cc2CC1	1
+c1(c2C(C)NCCc2sc1)C	6947
+CC(C)(C)OC(=O)N1Cc2cc3cc(ccc3n2CC1)OC	23
+C1n2c3ccc(cc3nc2CNC1)C(=O)OCC	47
+C(C)OC(=O)c1cc2nc3n(c2cc1)CCN(C)C3	113
+n1c(c(Br)cc(Br)c1)C#N	6948
+O=C1C(C(=O)C)=C(C=C2C1(c3c(cc(c(C(=O)NCc4c5c(cccc5)ccc4CC)c3O2)OC)O)C)O	3991
+c12c(OC=3C1(C(=O)C(C(C)=O)=C(C=3)O)C)c(c(cc2O)OC)C(=O)NCc4c5ccccc5c(OCC#CC)cc4C	3991
+O=C1N(C(C)=C(N)C(=O)N1C)CCCC	3244
+C=1(C(=O)NC(C=1c2cc(N)ccc2)=O)c3c4ccccc4n(C)c3	0
+c1cc(ccc1NC(=O)C=2CCCC=2c3cccc(C#N)c3)N4C(=O)CCCC4	6949
+CC(C)(C)C(C)NC1=C(C(=O)C1=O)Nc2c(cc(cc2)C#N)CC	993
+c1c(I)cc(c(c1)NC=2C(=C3CCCN3C(C=2Cl)=O)C(=O)O)F	6950
+c1c(I)cc(c(c1)NC=2C(=C3CCCN3C(=O)C=2F)C(=O)O)F	6951
+C=1(C(C(=O)O)=C2N(CCC2)C(C=1F)=O)Cl	127
+c1c(C=CC(=O)C2=C(O)C=C(C)N(C2=O)C)cccc1NC(=O)OCCOC	3556
+FC=1C=CC2=NC(=C(C(N2C=1)=O)Br)C=O	3605
+C1(N(C(=O)C(=CN1COC)[N+]([O-])=O)CC(OCC)=O)=O	3560
+CC(C)(C)[Si](C)(C)OC1CC(=O)C(CC=C)=C1C	947
+n1c(C)ccc(Br)c1C#N	6952
+n1c(C)ccc(Cl)c1C#N	6953
+c12C=C(C(O)=O)CCN(c1ccc(c2)-c3cc(c(cc3)OCC)F)C=O	127
+C1(=C(CCC1)CCl)c2c(cccc2)F	6954
+c1cc(ccc1Cc2ccc(cc2)N=C3NCCN3)CS(=O)(=O)NCc4ccccc4	6955
+S=C1N(c2[nH]cnc2C(=O)N1)c3cc(CC)ccc3	2725
+N1(C(=O)N(C(=CC1=O)C)CCCC)C	2726
+C=1(N(Cc2cc(ccc2)OC)C(C(=C(O)C=1)I)=O)C	6956
+C=1(N(C(C(=C(O)C=1)Cl)=O)Cc2cc(ccc2)OC)C	6957
+C=1(NC(N(C(=O)C=1)C)=O)N	2726
+C1(C(=C(N)NC(=O)N1)N=O)=O	863
+n1c(O)cc(nc1SC)N	6958
+CCC(C=1N=C2C=CC=C(C)N2C(C=1I)=O)Br	6959
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCN(CC3)CCC4=C(N=C5N(C(=CS5)C)C4=O)C	2000
+NC1=C(N=O)C(N(C(=O)N1)C)=O	1882
+c12n(ccn1)c(Cl)nc(-c3cc(Cl)ncc3)c2	3992
+c1cc(ccc1N2C(=Nc3ccccc3C2=O)CC)F	2103
+c1c2N=C(N(C(=O)c2ccc1)c3c(OCC)cccc3)CC	2103
+C=12C(CC(CC=1NC(=C(C#N)C2c3cc(Br)c(OCc4cccc([N+]([O-])=O)c4)c(N)c3)C)CCC)=O	22
+O=S(=O)(C)Nc1c(c(Br)cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)c1)OCc4cccc([N+]([O-])=O)c4	80
+C=12C(CC(CC=1NC(=C(C#N)C2c3cc(Br)c(O)c(N)c3)C)CCC)=O	0
+c1(ccnc(O)c1C)SC	6960
+O=S(=O)(c1nc2c(cn1)C=CC(=O)N2Cc3c(cccc3)Br)C	528
+c1c(c(C(=O)OC)sc1-n2cnc3ccccc23)O	6961
+C=1C(Oc2c(ccc(c2)CCCCO)C=1)=O	213
+FC(F)(F)S(=O)(=O)Oc1cc2OC(=O)C=Cc2cc1	166
+c1cccc2[nH]cc(C=3CCN(CC=3)CCC=4C(N5C(=NC=4C)C(=CC=C5)C)=O)c12	6962
+C=1C=C(CCO)C(N(c2ccc([N+]([O-])=O)cc2OC)C=1)=O	6963
+c1cc(ccc1)[Si](c2ccccc2)(OCCC=3C(=O)N(c4ccc(cc4OC)[N+](=O)[O-])C=CC=3)C(C)(C)C	328
+[n+]1(c(cccc1)-c2nc(ccc2C)COC(C)=O)[O-]	6964
+C(C)C(CC)(C)C=1CC=CC=1	6965
+C1CCCC1c2c(cncc2)Br	191
+C=1CN(c2c(cccc2CS(=O)c3[nH]c4c(n3)cccc4)C=1C)C	172
+c1(OCCN2CC=C(c3c[nH]c4ncccc34)CC2)c5c(nccc5)ccc1	2480
+C1CN(C)CC=C1c2cnc(cc2)[N+]([O-])=O	1960
+CCC(c1ccc2c(C3C(C(OCC)=O)C3CO2)c1O)=O	6966
+C=1COc2cccc(c2C=1)C(=O)O	1
+c1(cccc2OCCCc12)C(=O)O	374
+C=1N(C(C(C(=O)O)=CC=1)=O)C	127
+c1ccccc1COc2ccc(cc2)C3=CC=CN(C)C3=O	3993
+c1cc(ccc1C(C)N2CCC(c3ccccc3)(CCc4nnc(C)o4)OC2=O)C5=CC(=O)N(C)C=C5	3994
+c1cc(ccc1C(C)N2CCC(OC2=O)(C(C)C)CCCO)C3=CC(=O)N(C)C=C3	3994
+C1=C(C(=O)OCC)C(=O)c2cc(c(F)c(F)c2N1C(C)CCl)F	221
+C=1N(C(c2c(cccc2)N=1)=O)c3c(c(ccc3)-c4cnc(c5[nH]c6c(ccc(OCC(C)O)c6)c45)C(N)=O)C	684
+C=1N(C(c2c(cccc2)N=1)=O)c3c(c(ccc3)-c4cnc(c5[nH]c6c(ccc(OCC=O)c6)c45)C(N)=O)C	24
+C=1N(C(c2c(cccc2)N=1)=O)c3c(c(ccc3)-c4cnc(c5[nH]c6c(ccc(OCCO)c6)c45)C(N)=O)C	88
+Nc1cccc2C(OC=Cc12)=O	0
+c1cnc(c2c1c([N+]([O-])=O)ccc2)O	6967
+C=1c2c(c(cc(I)c2)C(=O)O)OC(C=1)C	1
+c1c2c(c[nH]c2ccc1)CC(CO)NC(=O)c3cc(I)cc4c3OC(C=C4)C	14
+CN1c2c(C=C(C(=O)O)C1=O)cccc2	108
+CC1(C)CCOc2cc(ccc12)NC(=O)C	3995
+N1(C(=O)N(CC(=C)C)C(N)=CC1=O)C	3996
+Cc1c(C)c(c(CC(=C)C)c(C)c1)O	1625
+C(C1(C)CO1)Oc2cc(ccc2[N+]([O-])=O)F	2727
+CC1(C)Cc2c(ccc(c2O1)[N+]([O-])=O)Cl	1658
+c1cc(ccc1CN2C(CC(OC)=O)c3ccccc3C(=C)C2)C(=O)Nc4ccccc4N	6968
+CC(C)(C)OC(=O)N1CCC2(CC1)C=CC(=O)CC2	6969
+CC1(C)C=Cc2c(cc3c(nccc3C)c2)O1	3997
+COc1cc2CC(CCC(=O)C)(C(=O)c2cc1)C	2104
+C(C(c1cc(Cl)ccc1OCc2cccc(F)c2F)=O)CC(=O)C	2728
+Nc1cc2CC(CCC(=O)C)(C(c2cc1F)=O)CCCC	2104
+n1c(C2(C=CC(=O)CC2)C)c(Cl)ccc1	6970
+C(C(c1cc(c(SC)cc1)F)=O)CC(=O)C	2728
+c12c(c(c(cc1)OC)C)CC(CCC(=O)C)(C2=O)CCCC	2104
+c1c(cc(cc1)Cl)C2(c3cccc(Cl)c3)CCC(=O)C=C2	3808
+c1cc(ccc1Oc2cccc(c2)C(CCC(C)=O)=O)F	2728
+n1ccc(C)c2cc(C#N)ccc12	3997
+CC(C)(C)OC(=O)N1CCC(CC1)N(Cc2ccccc2)C(=O)C=C	404
+CC(C)(C)OC(Nc1nc(N2CCCC(NC(=O)C=C)C2)ccc1)=O	711
+C(C(N(C)Cc1c2ccccc2n(C)c1)=O)=C	404
+C(Nc1c(Cl)cc(c(OC)c1)C=O)(C=C)=O	1313
+C(Nc1cc([N+]([O-])=O)ccc1)(C=C)=O	1313
+c1cc(ccc1OCCCCOC(C=C)=O)C(O)=O	2466
+c1cc(ccc1NC(=O)C=C)Sc2nc(ncc2)Cl	1313
+CC(C)(C)OC(N1CCC2(Oc3c(C(C2)=O)cc(cc3)C=CC(=O)OC)CCC1)=O	233
+CC(C)(C)OC(N1CCC2(CC1)Oc3ccc(C=CC(=O)OC)cc3C(C2)=O)=O	233
+CC1(C)C(Cc2c(ccc(F)c2)O1)CCNCCC(=O)OC	1340
+c1(C=CC(=O)OC)ccc2nn(C)c(C)c2c1C(=O)OC	233
+c12c(C(=O)N(C1=O)c3c(cc(Cl)c(CC(C(OC)=O)Cl)c3)F)cccc2	1659
+c1c(F)c(c(cc1C=CC(=O)OC)F)C=O	233
+Nc1c(ccc(F)c1)C=CC(OC)=O	233
+C(C=Cc1ccc(N)cc1C)(OC)=O	233
+O=S(=O)(c1ccc(cc1)C=CC(=O)OC)N(Cc2ccc(cc2)OC)C	233
+C(C=Cc1cc(CO)ccc1)(OC)=O	3998
+c1c(c(c(c(NC(C)=O)c1)[N+](=O)[O-])C(=O)OC)C=CC(=O)OC	233
+c1cc(ccc1C(CC(=O)OC)C(CCC(OC)=O)[N+](=O)[O-])Cl	6971
+c1cc(ccc1C=CC(C(CCC(OC)=O)(c2ccccc2)CC=Cc3ccccc3C)=O)Cl	6972
+c1cc(ccc1CCNCCC(=O)OC)OC	1340
+c1ncncc1C=CC(=O)OC	6973
+C1(Nc2cccc(c2OC1)C(C)C=C)=O	2729
+C1(O)c2c(OC1CO)c(Cl)cc(c2)Br	2730
+FC(F)(F)c1cc(N2C(=C(C(=O)OCC=C)C(NC2=O)c3ccc(C#N)cc3S(=O)(=O)C(C)C)C)ccc1	3498
+O(CC=C)P(OCC=C)(OCc1c(cccc1C(=O)O)Cl)=O	6974
+C(Nc1sc(nn1)CC=C)(N(CCC=O)CCl)=O	1110
+n1(c2c(N(CCCC)C(NC2=O)=O)nc1Cl)CC=C	1950
+C=CCn1cnc2c1C(=O)N(C(=O)N2CCCCC)C	6975
+c12n(c(nc1N(C(=O)N(C2=O)C)CCCCC)C=O)CC=C	1378
+O=S1(=O)CCN(CC1)c2c(cccc2F)F	6976
+CC(C)(C)OC(=O)N1CC(C1)Oc2c3cc[nH]c3c(cc2)Br	1654
+CC(C)(C)OC(NC(C(=O)C=C)CC1CCCC1)=O	1152
+CC(C)(C)[Si](C)(C)Oc1cc2c(c(Br)c1)[nH]cc2	1660
+Clc1ccc(Br)c2[nH]ccc12	1660
+Clc1ccc2c(nc(C=Cc3cc(C(C=C)O)ccc3)cc2)c1	1184
+c1cccc(c1C(O)C=C)SCC#C	1184
+C=CC(c1cc(cc(Cl)c1O)Br)O	1184
+O=S(=O)(N(C)c1cccc2c1[nH]c(c2)C=3SC(CC(=O)C=C)CN=3)c4cccs4	1152
+c1c(c2[nH]ccc2cc1)CSCC	1654
+Clc1nccc2cc[nH]c12	6977
+c1cc(Br)c(F)c2[nH]ccc12	1654
+c12c(F)ccc(C)c1cc[nH]2	1660
+c1(ncc(Br)c2[nH]ccc12)Br	6978
+c1cc(ccc1OC)COc2c(Br)cc(cc2Br)C(C=C)O	1184
+c1c(F)c(F)cc2c1nc(C=Cc3cccc(C(C=C)O)c3)cc2	1184
+c1(ccc(c2[nH]ccc12)CC)Br	1660
+c1c(c2[nH]ccc2cc1F)CSC	1660
+c1cc(ccc1)C(O)(CCCl)C=C	6979
+c1cc(ccc1-c2oc3c(cc(c(c3)N(c4cc(Cl)c(C(C=C)O)cc4)S(=O)(=O)C)C5CC5)c2C(NC)=O)F	1184
+c1cc(ccc1CC=2C(N(c3n(ncn3)C=2CCC)C4CCC(CC4)OCC(C=C)=O)=O)-c5ccccc5C#N	1152
+c1cc(ccc1Sc2c(C(O)C=C)c(F)ccc2)F	1184
+c1ccccc1COc2c(F)cc(Br)c3[nH]ccc23	1654
+Clc1cccc(c1)C(O)C=C	6980
+c1c2nc(OC)c(nc2c(c(c1Cl)Cl)C=O)OC	6981
+C(NC)(=O)c1[nH]c2c(c1CC)cccc2	1661
+c1cc(ccc1Nc2nc(Cl)nc3n(C=C)cnc23)P(C)(C)=O	1185
+FC(F)(F)c1cccc(C(Nc2cc(C=Cn3cnc4c(NC)ncnc34)c(cc2)C)=O)c1	914
+C=Cn1c2c(c(NC)ncn2)nc1	516
+CC(C)(C)OC(C1C(N(C)CC2(CC2)C1)C(Nc3ccc(cc3)OCc4c5c(nc(c4)C)cccc5)=O)=O	1662
+CC(C)(C)OC(N(C(C)C)CCc1ccc(C=O)c(c1)O)=O	491
+CC(C)(C)OC(N1CC(C(O)=O)N(CC1)C)=O	3999
+CC(C)(C)OC(N1CCC(CC1)N(C)CCc2ccc(cc2)Oc3ccccc3)=O	113
+CC(C)(C)OC(=O)N1CCC(CC1)N(C)Cc2ccc(nc2)-c3ccc(cc3)S(=O)(=O)C	113
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3cc(C=O)ccc3ncc2	6982
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(O)c(cc3C(COc23)=O)Cl	1092
+CC(C)(C)OC(N1CCc2c1ccc(C(=O)OC)c2)=O	807
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC	1159
+CC(C)(C)OC(Nc1cc(NC)ccc1)=O	1159
+CC(C)(C)OC(=O)Nc1c2c(ncn1)n(-c3cccc(c3)NC)c(c2-c4ccc(cc4)Cl)Cl	1159
+CC(C)(C)OC(=O)N(C1CCC(CC1)C#CCO)C	6983
+CC(C)(C)OC(=O)N1CC(C1)N(C)C(C)(C)C(=O)N	1662
+CC(C)(C)OC(N1CCC(C(N(C)C)C1)NC(OCc2ccccc2)=O)=O	1001
+CC(C)(C)OC(=O)N1C2C(CN(C2)C)CC1	113
+CC(C)(C)OC(N1CCN(CC1)C(=O)C2N(C)CCCC2)=O	1662
+CC(C)(C)OC(N1CCc2c(CC1)c(Cl)c3N(C)CCCc3c2)=O	1353
+CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C2CCC(CC2)N(C)Cc3ccccc3)C)=O	113
+CC(C)(C)OC(NC(C)(C)Cc1cccc(C(=O)OC)c1)=O	807
+CC(C)(C)OC(NC1CCN(C)CC1OC)=O	113
+CC(C)(C)OC(=O)NCC(C1CC1)NC	1971
+CC(C)(C)OC(NCc1c(-c2ccccc2)c3cc(C(=O)OC)ccc3nc1CC(C)C)=O	807
+CC(C)(C)OC(Nc1c(cccc1F)NC)=O	1159
+CC(C)(C)OC(Nc1c2c(ncn1)n(-c3ccc(cc3)NC)nc2I)=O	1159
+CC(C)(C)[Si](C)(C)OCCOc1ccc2c(nc(cn2)-c3ccc(cc3)NC)c1	1159
+CC(C)(C)[Si](C)(C)OCCc1ccc(C=O)c(c1)O	491
+CC(C)(C)c1ccc(C(=O)OC)c(c1)Cl	4000
+CC(C)(C)c1cc(cc(C=O)c1O)CCl	915
+CC(C)(C)c1cccc(c1O)C=O	491
+CC(C)(C)n1c(NC(C(C)NC(OCc2ccccc2)=O)=O)cc(n1)C3(CCN(CC3)C)c4ccccc4	113
+CC(C)(O)C(=O)Nc1cccc2CC(N(C)C)CCc12	1001
+c1ccccc1COC(=O)NC2CCN(C2=O)C3C(CCC)CC(CC3)N(C)C(C)C	2731
+c1ccccc1COC(=O)NC2C(=O)N(CC2)C3C(CS(=O)(=O)C(C)C)CC(CC3)N(C(C)C)C	2731
+c1ccccc1COC(NC2C(=O)N(CC2)C3CCC(N(C(C)C)C)CC3C(CC)O)=O	2731
+CC(C)C1CC(C(C(C=O)=C)C)CCC1	2105
+CC(C)C(=C)C(c1cc2cc(C(=O)O)oc2c(C)c1C)=O	2105
+CC(C)c1cc2c(OCO2)cc1CCl	915
+CC(NCCc1c(CCl)cc2OCOc2c1)=O	915
+CC1(C)CN(C)C(C(O)=O)C1	3999
+CC1(C)CN(CCO)C(C(C)(C)N1C)=O	1662
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N(C)C3CCOCC3	1353
+C1(=O)N(CC)NCN1c2sc(C)nn2	2640
+FC(F)Oc1cnc(C(=O)OCC)cc1	6984
+c1(C)nc2c(NCc3c(C)cccc3CC)cc(cc2n1C)C(=O)OCC	6985
+CN(C)C1C(CN(CC1)C(=O)OCC)C	1001
+CN(C)CCNC(=O)c1c2nc3c(ccc4c(c(ccc34)O)CN(C)C)nc2ccc1	1092
+Clc1cc(cc(Cl)c1N2NC(=C3C(=O)N=C(N=C23)Cc4cc(c(cc4)CN(C)C)O)C(C)C)Cl	1092
+CN(C)Cc1c(nc2c(OCc3c(Cl)cccc3)cccn12)C	2093
+O=S(=O)(c1ccc(s1)S(=O)(=O)CCCc2cc(c(O)cc2)CN(C)C)N	1092
+CN(C)Cc1c[nH]c2c(cccc12)[N+](=O)[O-]	1015
+CN(C)CCC(c1sc(Cl)c(c1)[N+]([O-])=O)=O	1493
+CN(C)Cc1c2c(cnc(Cl)c2[nH]c1)Br	1015
+CN(C)Cc1c[nH]c2cc(ccc12)[N+](=O)[O-]	1015
+CN(C)CCC(=O)c1c2ccccc2[nH]c1-c3c(CC)noc3C	1493
+CN(C)CCC(c1cc(OC)c(OC)cc1)=O	6986
+CN(C)CCC(c1c2ccccc2n(C)c1-c3ccccc3)=O	1493
+c1cc(ccc1)C(=O)c2cc(C(=O)N3CCc4oc(cc4C3)CN(C)C)ccc2	6987
+c1cc(ccc1CC(NCC(O)c2cccc(Cl)c2)C)OCC3=CC(C(O)=C(O3)CN(C)C)=O	6988
+CN(C)CCC1CCCN(C(c2cnc(cc2)NC(c3ccccc3Cl)=O)=O)c4ccc(Cl)cc14	1001
+C1CC(CCC1)N(C2Cc3c(ccc(F)c3OC2)C(OC)=O)CCC	4000
+FC(F)(F)c1cc(ccc1)N2C(=O)N(C)C(c3ccc(C#N)cc3C(OC)=O)C(C(=O)OCC)=C2C	807
+FC(F)(F)c1cc(ccn1)N2C3=C(C(CC3)=O)C(N(C2=O)C)c4ccc(C#N)cc4C(=O)OC	807
+FC(F)(F)c1cccc(N2C(N(C)C(C=3C(NCCC2=3)=O)c4ccc(C#N)cc4C(=O)OC)=O)c1	807
+N#Cc1c(Cl)cc(cc1)-c2c(n(Cc3ccc(C(OC)=O)nc3)nc2C)C	6989
+Nc1cc(-c2ocnc2)nc(C(=O)OC)c1Cl	6990
+c1(cc(C(=O)OC)c(c(c1)F)C)-c2cc(F)ccc2	807
+CN(C)C1Cc2c(OC)cccc2CC1	1001
+CN(C)c1cc(Nc2ncnc3c2scc3)cc(OC)c1	6991
+c12cc(ccc1cncc2)C(=O)OC	807
+c1cc(ccc1C2(SC(=NC(c3ccc(cc3)F)C)NC2=O)C)C(OC)=O	807
+c1cc(ccc1Cl)CC2C(=O)N(CC3N(CC(N(C)C)C(=O)N23)S(=O)(=O)c4c(Cl)cc(cc4)Cl)C(C)C	6992
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CN(C)C	1001
+c1c(c(c(O)c(c1)C=O)F)OC	491
+C[Si](C)(C)CCOCn1c2c(c3c1cnc(C#N)c3)c(OCC4CCCCN4C)ccn2	113
+O=Cc1c(c(ccc1C)Br)O	491
+ClCc1cc(c(F)cc1OC)F	915
+c1cccc2nn(nc12)-c3c(O)c(cc(C)c3)CCl	915
+c1ccccc1Cc2c3ccccc3ccc2CCl	915
+c1(C=O)ccc(c(c1)CCl)O	915
+C(c1ccc(c(CCl)c1)O)C(=O)O	915
+c1c2c(cc(CCl)c1)CCC2	915
+ClC(Cl)(F)Sc1c2ccccc2n(CO)c1	6993
+O=S(=O)(c1c(Cl)cc(NCc2occc2)c(C(OCCCOC(=O)CCC(OCCl)=O)=O)c1)N	6994
+Clc1ccc(c(c1)O)C2(CO)C(=O)N(c3ccccc23)CC(=O)OC	2732
+Clc1ccc(CCO)c([N+]([O-])=O)c1	4001
+FC(F)(F)C(O)C1=CC(=O)C(O)=C(N1C)CO	6995
+FC(F)(F)C(=O)N1CCc2c(Br)cccc2C1	6996
+FC(F)(F)C(=O)Nc1ccc(cc1Cl)N(Cc2ccc(Cl)s2)C	1353
+FC(F)(F)C1c2cccc3CNCC(N(c23)CC1)C	1603
+FC(F)(F)c1ccccc1CCC2CN(CCN2C)C3=Nc4ccccc4Nc5sc(C)cc35	113
+FC(F)(F)c1cc(ccc1)N2CCN(CC2)Cc3cc(-c4ccc(cc4)Cl)n(-c5ccc(cc5)Cl)c3C	1015
+FC(F)(F)c1c(CN(C2CCN(CC2)c3c4c(c(-c5ccnn5C)nn3)cccc4)C)ccc(F)c1	113
+FC(F)(F)c1ccc(cc1)-c2n(C)c(c(CO)n2)C	4002
+FC(F)(F)c1ccc(cc1)CCC2N(CCN(C2)C3=Nc4ccccc4Nc5sc(C)cc35)C	113
+FC(F)(F)c1ccc(cc1)CN(C)c2cc(C)c(c(C)c2)NC(CC3CCCC3)=O	1353
+FC(F)(F)c1cc(c(O)cc1)C=O	491
+FC(F)(F)c1cc(c(cc1)O)CO	6997
+FC(F)(F)c1ccc(CN2c3cccc(c3C(C2=O)(c4nc(OC)ccc4O)CO)Br)o1	4003
+FC(F)(F)c1ccccc1-c2nc(O)c3c(ccc(N4C(=O)CN(C4)CCO)c3)c2	6998
+FC(F)(F)c1cnc(nc1CCc2ccc(F)cc2CC(=O)N)Nc3ccc(cc3)C4CCN(CC4)C	113
+FC(F)(F)c1c(cn(n1)CO)Br	6999
+FC(F)(F)c1nc(NC(Nc2c3cc(ccc3ncc2)C=4CCN(CC=4)C)=O)ccc1	1960
+FC(F)(F)c1oc(CN2C(C(c3ccccc23)(CO)c4nc5OCOc5cc4O)=O)cc1	4003
+FC(F)Cn1c(CO)ncn1	7000
+FC1(F)C(C2CCN3CCNCc4c3c2ccc4)C1	1603
+Fc1cc2c(Nc3c(C(N4CC(CCOC)N(CC4)C)=N2)ccs3)cc1F	113
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4ccc(cc4)N(C)C)O	1186
+c1cc(ccc1-c2cc3c(cc(OCCOCCOCCF)cc3)cc2)N(C)C	1186
+CN(C)c1ccc(cc1)C=2Oc3c(C(=O)C=2)cc(cc3)OC	1186
+CN(C)c1ccc(cc1)C=2Oc3c(cc(cc3)Br)C(=O)C=2	1186
+c1cc(ccc1C=Cc2ccc(nc2)OCCOCCOCCO)N(C)C	1186
+c1cc(ccc1-c2cc3c(cc(cc3)N(C)C)cc2)OCCOCCOCCF	1186
+C1CN(CCC1N2c3c(C=CC2=O)ccc(c3)N(C)C)Cc4ccccc4	1186
+CN(C)c1cccc(OC(C(OC)=O)C)c1C	7001
+CN(C)c1c(C)cccc1Br	2106
+c1cc(ccc1)C(c2c(N(C)C)c(CC(=O)OC)ccc2)=O	2106
+c1cc(ccc1)COc2cc3CCC4C(CCC5(C)C(CCC45)=O)c3cc2N(C)C	2106
+c1ccccc1COc2c(c3CCC4C5CCC(C5(CCC4c3cc2)C)=O)N(C)C	2106
+C(N(C)C1c2c(CCC1)cccn2)c3nc4cccc(F)n4c3	113
+C1C(F)C(c2c3cc([N+]([O-])=O)ccc3[nH]c2)=CCN1C	1960
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)N3CC(C)N(CC3)C)Br	113
+CN1c2nc3c(cc2C(C(C(=O)O)=C1)=O)cc(c(N4CC(C)N(CC4)C)c3)F	113
+C(=O)c1c(O)cc(OC)cc1OC	491
+C1C(CC(N1C)C(=O)N)O	1662
+c1(c(cc2c(c1)C(=O)C(=CN2CC)C(O)=O)N3CC(N(C)CC3)COCCCCCCCCCCCC)F	113
+O=S(=O)(C(c1cnc(C(NCO)=O)cc1C)c2cc(F)ccc2F)c3ccc(cc3)F	7002
+O=S(=O)(Cc1ccc2c(c1)C3=CN(C(c4[nH]c(C(=O)OCC)c(c34)CN2c5ccc(cc5)Cl)=O)C)C	7003
+O=S(=O)(C)c1nnc(N2C(=O)N(NC2)CCCC)s1	2640
+O=S(=O)(c1ccccc1)NCC=2OC(=C(C(C=2)=O)O)CO	7004
+c1ccccc1N2CC(=O)N(c3cc(Cl)c(S(=O)(=O)N)cc3)C2	2733
+O=S(=O)(c1cc(C)c(cc1)N2CN(c3ccccc3)CC2=O)N	2733
+O=S(=O)(c1cccc2ccccc12)c3n[nH]c4ccc(OC5CCN(C)C5)cc34	113
+O=S(=O)(n1cc2c3c1cccc3CN(C)CC2)c4ccccc4	113
+c1(ccc(CO)nc1Cl)O	7005
+c1c(I)cc(c(c1)C=O)O	491
+c12cc(cc(c1CNCC2)Br)OC	1603
+CN1CC(N(CC1C)c2ccc([N+]([O-])=O)cc2F)C	113
+O=C(C(=C)CCCl)c1c(Cl)c(Cl)c(OC)cc1	2105
+O=Cc1ccc2CCCc2c1O	491
+c12c(CN(C)C1)c(N3CCOCC3C)nc(Cl)n2	113
+C1CN(CCN1Cc2c3c(Cl)cccc3[nH]c2)C(c4c(cccc4)Cl)c5ccc(cc5)Cl	1015
+C1CN(CC1c2nnc3n2cc(cc3)F)C	113
+O=Cc1c(C)cc(C)cc1O	491
+c1c(c(c2CCN(Cc2c1)C=O)C)OC	7006
+c1cc(CCO)c(cc1F)[N+]([O-])=O	4001
+c1c(cc2n(c3c(CCN(C)C3)c2c1)C)Br	113
+Oc1c(cc(F)cc1)C2(C(N(CCCCC)c3ccccc23)=O)CO	2732
+N1(c2ccc([N+]([O-])=O)cc2OCC1)C	1353
+c1ccccc1-c2cccc(c2O)C=O	491
+c1cc(ccc1)-c2[nH]c3c(c2C4CCN(CC4)C)cccc3	113
+c1cc(ccc1)-c2n3CCCN(Cc3c(C(OCC)=O)n2)C	113
+c1ccccc1C(c2ccccc2)N3c4c(C(CO)(C3=O)c5c(O)cc6c(OCO6)c5)cc(cc4)C	2732
+c1ccccc1C(=C)C(CCCCC)=O	7007
+c1ccccc1CCCN(Cc2cccc(-c3ccc(nc3)C#N)c2)C	113
+c1cc(ccc1)COC(=O)NC2CCCCC2CN(C3CCc4cc(ccc4C3)F)C	113
+c1cc(ccc1)S(=O)(=O)Nc2c3c(cn(c3ncc2)C4CN(C4)C)-c5cc6c(CCN6C)cc5F	113
+c1cc(ccc1C(C#N)(C)CO)Br	4004
+c1cc(ccc1C#CC#CCO)C(=O)NC(C(NC)C)C(NO)=O	1971
+c1cc(ccc1C#N)-c2nnn(Cc3cc(C(=O)Nc4sc5CC(CCc5n4)N(CCOC)C)ccc3)c2	113
+c1cc(ccc1C#N)Sc2cc(C=O)c(O)cc2	491
+CC(C)(c1ccc(O)c(c1)C=O)C(OC)=O	491
+O(C)CC(COC)(C(OC)=O)c1ccc(O)c(C=O)c1	491
+c1cc(ccc1N2CC(N(C)CC2)C)C(OC)=O	113
+c1cc(ccc1C)-c2c(cccc2)C(Nc3ccc(cc3)C(N(c4c(cccc4)CN(C)C)C)=O)=O	113
+c1cc(ccc1C(O)C#CCN2CCC(CC2)(c3ccc(cc3)Cl)O)F	1469
+O=S(=O)(c1ccc(cc1)CN(Cc2ncc[nH]2)Cc3nccn3C)NCCCCN(C)C4CCCCC4	113
+c1cc(ccc1Cl)NS(=O)(=O)c2ccc(OC)c3CC(N(C)C)COc23	113
+c1cc(ccc1Cl)OC=2C=CC(N(N=2)CO)=O	7008
+c1cc(ccc1Cn2c3ccccc3c4C(C(=C)CCc24)=O)C(OC)=O	2105
+c1cc(ccc1F)-c2[nH]c(nc2CO)CCCC	4002
+c1cc(ccc1F)C(C#N)(CO)CCCCC	4004
+O=C(OCC)C(C(=O)OCC)(C)c1ccc(cc1)N2CCN(CC2)C	113
+c1cc(ccc1CC(C(OCC)=O)(C(OCC)=O)C)N2CCN(CC2)C	113
+O=S(=O)(c1cc(Cl)c(N2CN(CC2=O)c3ccc(cc3)Cl)cc1)N	2733
+c1cc(c(C=O)cc1C2CCOC2=O)O	491
+c1cc(ccc1[N+](=O)[O-])N2CCC3C2CCN3C	113
+c1cc(ncc1Br)C(C2CN(CC2)C)=O	113
+N1Cc2ccc(OCC)cc2CC1	1603
+c1cc(ccc1)C(=O)c2cc(Br)ccc2-n3ccnc3CO	7009
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CC(CCOC)N(CC4)C	113
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCNC(CCCCCN(CCNC(=O)OC(C)(C)C)C)=O	113
+c1ccccc1C=2c3c(-n4c(CCO)nnc4CN=2)ccc(F)c3	7010
+c1cc(ccc1)CN(CCCCCCCCCCCC)C	113
+C1CC(CCN1C)c2c(OC)cc(NC(OCc3ccccc3)=O)cc2	113
+CN(C)Cc1cccc(c1)CCNC2=NC(=C(N(C2=O)CC(OCc3ccccc3)=O)C)Cl	7011
+c1ccccc1COC(N2C(CN(CC2)C)C(N(C)OC)=O)=O	113
+c1ccccc1COC(NC2CCN(C3CCC(N(Cc4ccc(cc4)OC)C)CC3NC(C)=O)C2=O)=O	113
+c1ccccc1COC(NC2CCN(C3C(NC(C)=O)CC(CC3)N(C(C)C)C)C2=O)=O	113
+C1CCCN(c2oc3c(C)cc(C)cc3n2)CCN1C	113
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)OC	1187
+CC(C)(C)OC(=O)NC1(C(OC)=O)CCCC1OCc2ccccc2	1187
+CC(C)(C)OC(=O)N1CCC2(CC2)CC1C(=O)OC	7012
+CC1(C)c2cc(cc(C3CC3)c2OC4(CC4)C1)Br	3365
+FC(F)(F)C1CCC(CC1)C(CCl)=O	7013
+c1cc(ccc1)COC(n2c3ccccc3c(CC(CCl)=O)c2)=O	7014
+FC(F)(F)C(C(OC)=O)(C)O	1187
+c12c(cc(cc1cccc2)Br)C(OC)=O	1343
+O=S(=O)(c1c(cc(c(C(OC)=O)c1)OCC)OC)Cl	1343
+Clc1cc(cc(C)c1C(=O)OC)Br	1343
+c1(c(Cl)c(Cl)nc(n1)-c2c(c(OC)c(Cl)cc2)F)C(=O)OC	1343
+c1cc(cc(c1OC)F)C2C(CC(OC)=O)C2	1187
+c1cc(ccc1)COc2cc(F)cc(c2)C(C(=O)OC)(CC)O	1187
+c1cc(ccc1[N+]([O-])=O)CC(C(=O)OC)NC(C)=O	1187
+c1cc(ccc1F)C(=O)c2c(nccc2)C(=O)OC	1343
+O=C1c2c(C(=O)N1C(CC(C=[N+]=[N-])=O)(C(OC)=O)CF)cccc2	7015
+c1ccccc1C(C(=O)OC)C2CCN(CC2)C(OCc3ccccc3)=O	1187
+c1(c2c(NC(=C(C(=O)C)C2c3ccc(cc3CC)C#N)C)ccn1)O	7016
+O=S(=O)(Oc1c(cc(c(-n2c(c(c(C)n2)C)C)c1)F)Cl)C	7017
+c1cc(ccc1Cl)Nc2nc(-n3c(C)c(C)c(n3)C)nc4n(C)cnc24	7018
+FC(F)(F)c1ccc(cc1)Nc2nc(-n3nc(cc3C)C)nc4n(cnc24)C	2723
+c1(nc2c(c(C)c1)C(N(C(=O)N2C)CCCCC(OC(C)=O)C)=O)C	7019
+CC(=O)C(C(C)=O)=Cc1ccc(C#N)cc1CC	7020
+O=S(=O)(C)Oc1c(Cl)cc(F)c(-n2nc(cc2C)C)c1	2734
+S=C1NN2C(=CC(C)=NC2=N1)C	7021
+c1(C)nc2c(ccc(n2)N)c(C)c1	7022
+c1ccccc1-c2c3c(nc(C)c2C(C)=O)sc4c3cccc4	7023
+c1ccccc1-c2sc3nc(c(C(=O)C)c(-c4ccccc4)c3c2)C	4005
+c1cc(ccc1)Nc2c(c3c(cc2C(=O)OC)[nH]c(n3)C)F	7024
+c1cc(ccc1Br)CCC(=O)C	7025
+c1cc(ccc1-n2nc(cc2C)C)Br	2734
+c1cc(ccc1Cl)Nc2c3c(n(cn3)CCOCC)nc(-n4c(cc(n4)C)C)n2	2723
+c1cc(ccc1F)-c2c(C(C)=O)c(C)nc3ccc(Br)cc23	7026
+CC(=O)CCCCCCCC(=O)OC	27
+C(CCC(O)C)CCCCC(OC)=O	100
+CC(=O)N1Cc2ccccc2S(CC1)=O	357
+CC(C)(C)OC(=O)N(C(C)Cc1cc2CCN(C(=O)C)c2c(C#N)c1)CCOc3c(cccc3)OCC	23
+C(CCC(C)NCC)CCC	15
+c1c(cc(c(c1)C(=O)NNC(CNC(C)=O)=O)OC)Br	708
+c1cc(ccc1C=2C=CC(N(N=2)Cc3cc(NC(OCC)=O)ccc3)=O)CNC(CNC(C)=O)=O	9
+c1(C=O)cc2c(occ2CCNC(C)=O)cc1	674
+O=C(c1cc(c(c2c1OCO2)NC(C)=O)Cl)O	1
+c1cc(ccc1OC(C(O)CCc2cnccc2)C)-c3c(C)cc(cc3)NC(=O)C	11
+c1cc(ccc1)C2(NC(N(CC(=O)c3ccc(NC(C)=O)cc3F)C2=O)=O)CCC	7027
+c1(cc(c(O)cc1NC(C)=O)C(=O)O)[N+]([O-])=O	31
+C(C)OC(c1c(ccc(c1)NC(C)=O)Br)=O	47
+c1(NC(C)=O)c(c(c(cc1)Br)C(=O)O)[N+]([O-])=O	31
+c1cc(ccc1C)C(c2c(C)c3c(cc(cc3)NC(C)=O)o2)=O	7028
+c1(cc(NC(C)=O)ccc1OC)C(=O)C	65
+c12c(cc(C(=O)O)cc1)ncn2-c3cc(ccc3)NC(C)=O	7029
+C(SCc1cccc(NC(C)=O)c1)C	639
+C(OC(COc1cccc(NC(C)=O)c1)=O)C	52
+CC(C)(C)OC(=O)NNC(OCCc1ccc(cc1)NC(=O)c2csc(NC(C)=O)n2)=O	2015
+CC(C)(C)C(C)NC=1C(=O)C(=O)C=1N(c2ccc(cc2CC)C#N)C(=O)C	7030
+CC(C)(C)C(=O)Nc1ccc(Cl)cc1C2Cc3c(cccc3)N2C(=O)C	808
+CC(C)(C)CCC(=O)N1CCN(CC1)c2nccc(-c3noc(C)n3)c2	4006
+CC(C)(C)CCNC(Nc1c(F)cc(C)c(-c2c(nc3nc(NC(C)=O)ncc3c2)C)c1)=O	4007
+CC(C)(C)OC(=O)C1N(CCCCC1COC(C)=O)S(=O)(=O)c2ccc(cc2)OC	152
+CC(C)(C)OC(=O)COc1c(C(OC)=O)sc2c1cc(cn2)NC(C)=O	2107
+CC(C)(C)OC(N1CC(N(C2CCC(C)(C)CC2)C(C)=O)CC1C(OC)=O)=O	319
+c1cc(ccc1C)CC2(CO)CN(CCC2)C(=O)C	1663
+CC(C)(C)OC(=O)N1CCC(CC1)CN(Cc2ccc(cc2)Cl)C(C)=O	319
+C1CN(CCN1C(=O)C)c2ccc(nc2)CCc3ccc(cc3)CO	1663
+CC(C)(C)OC(=O)N1Cc2c(CC1)c(C#N)c(NC(C)=O)s2	2735
+CC(C)(C)OC(NC(CC)(COC(C)=O)CCc1ccc(cc1)OCc2ccccc2)=O	152
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2csc(NC(C)=O)n2	1973
+CC(C)(C)OC(=O)N1CCC(CC1)(NC(=O)C)Cc2ccccc2C	206
+c1cc(ccc1[N+]([O-])=O)CC(NC(=O)C)C2CN(C(=O)O2)C3(CC3)c4cccc(c4)C(C)C	1663
+CC(C)(C)OC(=O)NC1(C(OC(=O)C)CCC1)CNc2c(c(c(cc2)C#N)Cl)C	152
+c1(N2CC(CNC(C)=O)OC2=O)ccc(-c3scc(n3)Cn4ccnc4)c(F)c1	1663
+CC(C)(C)OC(NCCC1CCC(CC1)COC(C)=O)=O	152
+C1CC(CCN1C(c2cc3c(cc2)n(cc3)CCNC(=O)C)=O)Oc4ccc(cc4)Cl	1663
+CC(C)(C)OC(=O)Nc1c(COC(=O)C)[n+](c(Cl)cc1)[O-]	983
+CC(C)(C)OC(Nc1cc(Cl)c(c(Cl)c1)OCCOC(=O)C)=O	152
+CC(C)(C)[Si](C)(C)OCC1CC(CC1OC(=O)C)n2ccc3c(ncnc23)NC4c5ccccc5CC4	152
+CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(N)ncnc23)C(C1)OC(C)=O	152
+CC(C)(C)[Si](C)(C)OCCCOc1ccc(Cc2c(C)nc(nc2NC(CCC)CCOC(=O)C)N)c(OC)c1	152
+CC(C)(C)c1cc(cc(C(C)(C)C)c1OC(C)=O)OC	225
+CC(C)(C)c1cc2c(C(=O)N(c3nccc(Cl)c3COC(C)=O)N=C2)c(F)c1	152
+CC(C)(F)Cn1c(nc2cnc3cccnc3c12)COC(C)=O	152
+CC(C)(O)Cn1c(nc2cnc3c(ccc(OCc4ccccc4)c3)c12)COC(C)=O	152
+CC(C)(Cc1c2c([nH]c1)cc(cc2)C)NC(=O)C	206
+CC(C)(O)c1ccc2c(CCN(C2=O)c3cccc(Br)c3COC(=O)C)c1	152
+CC(C)C(NC(=O)C1N(CCCC1)C)C(=O)N(C(C(C)C)CC(OC(=O)C)c2nc(C(O)=O)cs2)CCC	152
+CC(C)CC1(COc2ccc(cc2)[N+](=O)[O-])Oc3c(c(C)c(OC(C)=O)c(C)c3C(=O)C1)C	225
+O1CCOC1c2ccc(cc2)Oc3cc4cnn(c4cc3)C(=O)C	7031
+CC(C)Cn1c(nc2c1c3c(cccc3)nc2N)CNC(C)=O	206
+CC(C)N(c1c(C(=O)OC)sc(-c2ccccc2)c1)C(C3CCC(CC3NC(=O)C)C)=O	7032
+CC(C)N1C(=O)C(CC)(CC)c2cc(NC(C)=O)ccc12	125
+CC(C)Oc1cc(c2c(c(OC(=O)C)[n+]([O-])cc2)c1C)Br	7033
+CC1(C)C(C)(C)OB(O1)c2ccc3c4cnn(C(=O)C)c4ncc3c2	7034
+CC1(C)C(OC(=O)C)CCC2(C1CCC3(C2CCC4C5C(CCC34C)(C(=O)O)CCC5C(C)=C)C)C	152
+CC1(C)CCC(c2c1ccc(c2)Br)(CC(=O)OCC)OC(C)=O	152
+CC1(C)c2ccc(Br)cc2C(=O)CC1	7035
+CC1(C)CN(c2ccc(cc12)Br)C(C)=O	808
+CC1(C)Cc2c(c(OC(C)=O)ccc2)O1	225
+CC1(C)CCCc2cc(C(C)OC(C)=O)c(c(Br)c12)OC	152
+O(C(=O)C)c1c2c(c(C#N)nc1C(=O)OCC)n(cc2)Cc3ccc(F)c(F)c3	4008
+c1ccccc1C(=C2c3cc(C(CCC)=O)ccc3N(C(C)=O)C2=O)OCC	7036
+C(C)OC(=O)c1cnc(s1)NC(C)=O	1973
+c1(NC(=O)C)c(Cl)cc(F)c(OCC)c1Br	125
+CN(C)CC1Cc2c(NC1)cc(cc2)NC(=O)C	125
+C(c1c(C(=O)O)[nH]c2cc(c(OC)cc12)F)CNC(C)=O	206
+COc1cc([N+]([O-])=O)cc(c1NC(C)=O)Br	125
+COc1c(NC(C)=O)c(cc(c1)Br)[N+]([O-])=O	125
+COc1cccc(CCNC(C)=O)c1	206
+Cc1c(ccc([N+]([O-])=O)n1)OC(C)=O	4008
+Cc1cc(cc(C)c1OC)NC(=O)C	125
+Clc1cc(OC(C)=O)ccc1C	225
+Clc1cc(NC(C)=O)cc(C)c1	125
+Clc1cc(F)c(NC(C)=O)cc1	125
+Clc1cc(ccc1)Nc2nccc(-c3cccnc3NCCCNC(C)=O)n2	206
+Clc1cc2CC(=O)N(C(=O)C)c2cc1	1948
+Clc1ccc(OC(C)=O)c(Cc2ccc(C(=O)O)o2)c1	225
+FC(F)(F)C(N(C1c2c(c(ccc2)-n3c4c(ccc(c4)F)nc3C)CC1)c5cc6OCC(CC(OC)=O)c6cc5)=O	7037
+FC(F)(F)Oc1cc2c([NH+]([O-])C(C=C2)=O)cc1	4009
+FC(F)(F)c1cc(cc(COC(=O)C)[n+]1[O-])CC	983
+FC(F)(F)c1[n+]([O-])c(c(CN2C(=O)N3C(C(c4ccncc4)=C(c5ccc(cc5)Cl)C=C3)=N2)cc1)COC(C)=O	983
+FC(F)(F)c1c(O)cc2c(N(CC2)C(C)=O)c1	808
+FC(F)(F)c1c(F)c(F)c(c(F)c1F)-n2nccc2NC(C)=O	533
+FC(F)(F)c1cc(ccc1NC(=O)C)Cl	125
+FC(F)(F)c1cc2ncn(-c3ccccc3)c2c(-c4cc(ccc4)NC(C)=O)c1	125
+FC(F)(F)c1cc(F)ccc1NC(=O)C	125
+FC(F)(F)c1cc(ccc1)N2C(=C(c3noc(C)n3)C=C(C(=O)NCc4ccc(cc4)S(=O)(=O)C)C2=O)C	7038
+FC(F)(F)c1cc(c(c(Cl)c1)-n2c(NC(=O)C)ccn2)F	533
+FC(F)(F)c1cc(NC(=O)C)cc(Br)c1	125
+FC(F)(F)c1ccc(cc1)C2C=CC=[N+]([O-])C2=O	4010
+FC(F)(F)c1ccc(cc1)CCNC(C)=O	206
+FC(F)(F)c1cn2c(cc1)c(C(=O)C)c(-c3ccc(cc3)F)n2	2108
+FC(F)(F)c1cccc(c1C)Cc2c3nc(cc(NC(C)=O)n3nc2C)N4CCOCC4	533
+FC(F)(F)c1cccc2c1nc(C(CC)NC(C)=O)c(C(Nc3nccs3)=O)c2O	206
+FC(F)(F)c1cnc(Nc2cn(nc2)C3CCN(CC3)C(C)=O)nc1CCc4c(C(C(=O)N)C)cccc4	319
+c1(-c2noc(n2)C)cc(C(=O)O)ccc1	4006
+N(C)C(COc1cc(C#N)ccc1CNC(=O)c2cc(NC(C)=O)c(c(Cl)c2)F)=O	125
+c1(C)c(cc(cc1)F)NC(C)=O	125
+c12c(ncnc1cc(c([N+]([O-])=O)c2)NC(C)=O)O	125
+CC(Nc1cccc2c1cc(cc2)O)=O	125
+CC(=O)Nc1cc(O)c(cc1)C(=O)O	125
+[N+](c1cc(cc(Br)c1)NC(C)=O)([O-])=O	125
+c1c(NC(C)=O)ccc(C)c1Cl	125
+c1(c(CC)c(ccc1NC(C)=O)Br)C	125
+CC(Nc1cccc(c1C)F)=O	125
+[nH]1nc(cc1)NC(=O)C	533
+Brc1ccnc(NC(=O)C)c1	533
+O(C)c1c(c(c(OC)c(OC)c1OC)C)Cc2cccc(c2OC(C)=O)C(=O)O	225
+c1cc2ccc(OCOC)c(C#N)c2nc1COC(=O)C	152
+O1CCOC1(CCOc2c(C)c([n+](cc2)[O-])COC(C)=O)CCC	983
+O1CCc2c3n(ncc3CCNC(=O)C)ccc12	206
+Clc1cccc(CCC(=O)C(C(OCC)=O)NC(C)=O)c1	7039
+O=C(c1ccc(c(Cl)c1)Cl)NC2c3c(CCC2OC(=O)C)ccc([N+]([O-])=O)c3	152
+O=Cc1c(OC(=O)C)cc2CCC3C4CCC(=O)C4(CCC3c2c1)C	225
+O=S(=O)(c1nc2CCN(C(C)=O)Cc2c(n1)-c3c(Cl)cc(Cl)cc3)C	319
+O=S(=O)(c1c(C(=O)OC)cccc1)NC(=O)Nc2nc(C)cc(COC(C)=O)n2	152
+O=S(=O)(c1ccc(cc1)C)n2cc(C(C)=O)cc2	7040
+C1(CCCC(=O)Nc2c1cccc2)OC(=O)C	152
+c1(c2c(cccc2)c(N)cc1[N+](=O)[O-])CCOC(=O)C	152
+Oc1c2c(nc(-c3cc(ccc3)OC(=O)C)n1)cccc2	225
+C(=O)(C)Sc1c(cccc1C)C(=O)O	7041
+n1(ccnc1)-c2cc([N+]([O-])=O)c(NC(C)=O)c(C)c2	4011
+CC(Nc1c(ccc2CCCCc12)[N+]([O-])=O)=O	4011
+COc1ccc(COC(C)=O)[n+](c1)[O-]	983
+c1(-c2nc3c(c(n2)O)cc(OC(C)=O)c(OC)c3)cc([N+]([O-])=O)ccc1	225
+c1(OC(C)=O)cc(C)cc(c1C)C(=O)O	225
+c1(I)c(F)cc(NC(C)=O)c(C)c1	125
+c1(C)c(NNC(=O)C)ncc(c1)[N+](=O)[O-]	7042
+c1(C)c(F)ccc(NC(C)=O)c1	125
+c1(C)cc(NC(=O)C)ncc1[N+](=O)[O-]	533
+Cc1cc(cc(C)c1)NC(=O)C	125
+Cc1cc(cc(C)c1-n2c(NC(=O)C)c(C#N)c(C)c2)C	533
+c1(CCNC(=O)C)cc(C)cs1	206
+C(C)(c1cc2c(c(c(Cl)c(OC)c2)Cl)s1)=O	7043
+c1(Cl)cncc(Cl)c1CSc2nc(cc(C)n2)NC(C)=O	533
+c1(F)cc(cc(F)c1-c2cnccc2)N3C(OC(CNC(=O)C)C3)=O	206
+c1ccc(NC(=O)C)cc1-c2ccnc(n2)NCCc3ccc(c(OC)c3)OC	125
+s1c2c(nc1C=CC=Cc3ccc(nc3)NC(=O)C)cc(c(OC)c2)OC	533
+c1c(c(c2cc(C(=O)OC)[nH]c2c1)OC(C)=O)OC	225
+O(C(C)=O)c1cc([N+]([O-])=O)ccc1C	225
+O(C(C)=O)CCc1cccc([N+]([O-])=O)c1	152
+c1([n+](c(ccc1)Cl)[O-])COC(C)=O	983
+O(C)c1cc2CCC(c3c(NC(C)=O)cc(cc3)OC)Cc2cc1	125
+c1(c(F)ccc(c1)NC(C)=O)[N+]([O-])=O	125
+Fc1c(F)cc(c(c1)NC(=O)C)CCCC(=O)O	3406
+CCCOC=1C=C[NH+]([O-])C(C=1C)=O	7044
+C(c1cn(c2ccc([N+]([O-])=O)cc12)C(=O)C)c3c(cc(C(=O)O)cc3)OC	7045
+CCN(c1cc(Cl)c(F)cc1)C(C)=O	808
+c1(cc(F)ccc1Oc2c(ccc3c2C=CC([NH+]3[O-])=O)OC)F	4009
+c1c(C)c(c(cc1OC(=O)C)C)Br	225
+c1(cc(ccc1)Nc2c3c(cc(NC(C)=O)nc3)ncn2)Br	533
+c12c3c(C(N(C(=O)c3cc(C(O)=O)c1)CCCC(O)=O)=O)cc(NC(=O)C)c2	125
+COc1cc2C(N(C3=CC4=CCC([N+]([O-])=C4C=C3)=O)Cc2cc1)=O	7046
+c1(cc(ccc1)NC(C)=O)Br	125
+n1(-c2cc3CC(C#N)Cc3cc2)c(C)nc4cnccc14	4012
+c1(ccsc1CNC(=O)C)C	206
+c1(ccsc1COC(=O)C)C	152
+N(c1ncc2cc(c(OC)cc2n1)Br)C(C)=O	4007
+c1-2[nH]c3ccccc3c1Cc4cc(ccc-24)N(C(=O)C)CC	808
+O(CCN1C(c2c(C=C1)c([N+]([O-])=O)c(Cl)cc2)=O)C(C)=O	152
+c12c(CCC1)cccc2NC(C)=O	125
+CC(N1CCc2c(cccc2Cl)CC1)=O	319
+c12c(-c3c(cccc3)C1)ccc(CCC(OC(=O)C)C)c2	152
+c1cc(ccc1C(NC2Cc3ccc(C(C)=O)cc3C2)=O)F	2109
+c12c(c(F)cc(F)c1OC(c3cc(F)c(cc3)NC(C)=O)=CC2=O)N	125
+c12c(ccc(N)c1OC)CCC2=CCNC(C)=O	7047
+c12c(cccc1)C(=O)N(C2=O)CCCCC(OC(=O)C)c3ccccc3	152
+c12c(CCN(C1)C(=O)C)cccc2Cl	319
+O(c1c(OC)cc2c(c(ncn2)O)c1)C(C)=O	225
+c1[nH]c2c(c1CCNC(C)=O)cc([N+]([O-])=O)cc2	206
+c1[nH]c2c(ccc(C)c2)c1CNC(C)=O	206
+c1c(C)c(c(cc1-c2nc3ccc(cc3c(O)n2)NC(C)=O)C)O	125
+c1c(Cl)c2ccc(cc2c(c1Cl)N)OC(=O)C	225
+c1c(I)cc(Cl)c(NC(C)=O)c1	125
+c1(cc(ccc1)NC(C)=O)-c2nnc(O)cc2	125
+CC(=O)Nc1cccc(c1)-c2sc(nc2C(=O)OC)C	125
+c1cc(cc(OC(C)=O)c1OC)C(=O)O	225
+c1c(OC)cc(cc1NC(NC(CCN2CC(C2)Oc3ccc(cc3)Cl)COC(=O)C)=O)OC	152
+c1c([N+]([O-])=O)cc([N+]([O-])=O)c(Sc2ccccc2NC(C)=O)c1	125
+c1c([N+]([O-])=O)cc(cc1NC(C)=O)[N+]([O-])=O	125
+C(C)OC(c1cc2CCCCC(OC(C)=O)c2[n+]([O-])c1C)=O	4013
+CC(Nc1c(SC)c2ccccc2nc1)=O	2107
+c1(c(c(c2c(OC(c3cc(F)c(cc3)NC(C)=O)=CC2=O)c1F)N)F)C	125
+c1cc(cc(c1OC(C)=O)OC)CC=C	225
+c1c(ccc2c1CC(=O)N2C(=O)C)C(=O)C	1948
+CC(=O)N1CCSc2ccccc2C1	319
+CC(n1c2ccc(cc2c3c1cccc3)Br)=O	4014
+c1c2nc(cc(Cl)c2ccc1OC)COC(C)=O	152
+C1(c2[n+](cccc2CCCC1)[O-])OC(C)=O	4013
+Clc1cc(c(C2=CC=[N+](C(C2)=O)[O-])cc1)OC	7048
+c1cc(ccc1C=2C=C[NH+]([O-])C(=O)C=2)Cl	7049
+O(C=1C=C[NH+]([O-])C(C=1)=O)C	4015
+c1(cccc2CCCCCc12)NC(C)=O	125
+c1(c(OC(C)=O)c(ccc1C=O)OC)Cl	225
+c1cc(cc([N+]([O-])=O)c1OCCCNC(C)=O)F	206
+c1cc(ccc1)-c2c(cc(cc2)-c3nc4cc(c(OC(C)=O)cc4c(O)n3)OC)F	225
+C1=CC(C=CC1)(c2ccccc2)CC(C)N(C(C)=O)CC	319
+c1ccccc1C23CC2CN(C3)C(C)=O	319
+c1cc(ccc1)C=2CCN(C(C)=O)CC=2CO	7050
+c1ccccc1C2CCCCC2OC(=O)C	152
+c1cc(ccc1C(C)=O)CC	2109
+c1ccccc1CC(C)NC(=O)C	206
+c1cc(ccc1)CCC(NC(C(=O)C)CC(=O)OC)=O	7051
+c1cc(ccc1)CN2CC(CCOC(C)=O)OCC2	152
+c1cc(ccc1)CN2CC(N(CC2)C(=O)C)C	319
+c1cc(ccc1)CNC(=O)C(NC(=O)C)COC	4016
+FC(F)OCC(C(=O)NCc1ccccc1)NC(=O)C	4016
+c1cc(ccc1)N2N3CCCC3=C(C2=O)C(=O)Nc4ccc(cn4)Oc5ccnc(NC(=O)C)c5	533
+c1ccccc1N(C(C)=O)c2ccnc3ccccc23	7052
+c1cc(ccc1C(=O)C)OC(C)C(=O)OC	2109
+c1cc(ccc1)S(=O)(=O)N2CCc3cc(C(=O)C)ccc23	2109
+c1cc(ccc1OCCC2CCCCN2C(C)=O)-c3[nH]c4cc(ccc4n3)C(N)=O	319
+c1cc(ccc1C(=O)OC)C2C=CC=[N+]([O-])C2=O	4010
+c1cc(ccc1-c2cc(n(n2)CC(OCC)=O)NC(C)=O)F	533
+c1cc(ccc1-c2c(C(C)=O)c3cccc(Cl)n3n2)F	2108
+c1cc(ccc1Br)C2=C(C)Oc3c(C2=O)cc(c(O)c3)Cl	7053
+c1cc(ccc1Br)CN(c2ccc(cc2)NC(=O)C)n3cnnc3	125
+c1cc(ccc1C#N)-n2c3cc(C)nc(C)c3nc2C	4012
+c1cc(ccc1C(NC(Cc2cc(Br)ccc2)C(C)=O)=O)C	4017
+c1cc(ccc1NC(=O)C)C(C)C	125
+c1cc(ccc1Br)C(C)NC(C)=O	206
+c1cc(ccc1OC)C(=O)NC(C(=O)C)CC=C	4017
+c1cc(ccc1-c2ccccc2NC(C)=O)C	125
+c1cc(ccc1C=2c3c(CC(NN=2)=O)cc4OCOc4c3)NC(C)=O	125
+c1cc(ccc1OC(=O)C)C=C(C)C(O)=O	225
+c1cc(ccc1C=CC(=O)OCC)-c2nc(NC(C)=O)sc2	1973
+c1cc(ccc1OC(=O)C)C=O	225
+c1cc(ccc1C=O)Oc2cc(c(Nc3snc(C4CCN(CC4)C(C)=O)n3)nc2)Sc5ccccc5Cl	319
+c1cc(ccc1CC(C(=O)O)NC(C)=O)[N+]([O-])=O	3466
+c1cc(ccc1CC(C)NC(=O)C)Br	206
+c1cc(ccc1OC(=O)C)Cc2ccc(nc2)C(O)=O	225
+c1cc(ccc1F)-c2c3cc(C(=O)O)ccc3n(C(=O)C)n2	7054
+c1cc(ccc1-c2c(C(C)=O)c3ccnc(SC)n3n2)F	2108
+c1cc(ccc1F)C(=O)C2CCN(CC2)CCCCN3C(=O)c4c(NC3=O)cc(cc4)NC(=O)C	125
+c1cc(ccc1F)COC2=CC([NH+](C=C2)[O-])=O	4015
+c1cc(ccc1F)Cc2cnc3c(c2)N(C(C(C(=O)NCCOCC)=C3O)=O)CCNC(C)=O	206
+c1cc(ccc1I)C(=NOC(C)=O)N	7055
+CN(C)Cc1c2C(=O)N(C(N(Cc3c(F)cccc3F)c2nn1-c4ccc(cc4)NC(=O)C)=O)c5cccc(c5F)OC	125
+CC(C)(CC)c1ccc(cc1)NC(=O)C	125
+c1cc(ccc1NC(=O)C)CCCC	125
+c1cc(ccc1NC(=O)C)I	125
+c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl	125
+C1COCCN1c2ccc(cc2)NC(=O)C	125
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(N3CCCC(c4c3cccc4)COC(C)=O)=O	152
+c1cc(ccc1NC(=O)c2[nH]ncc2NC(=O)C)F	7056
+c1cc(ccc1C(C)C)N(Cc2ccc3c(c2)cc(C(O)=O)c(O)c3)C(C)=O	808
+c1cc(ccc1CC2=Nc3c(N(c4cccc(c4)-c5ccccc5)C2=O)nccc3)OC(=O)C	225
+c1cc(ccc1OC(=O)C)OC	225
+c1cc(ccc1OCC2(CCc3c(C)c(OC(C)=O)c(c(C)c3O2)C)C)[N+](=O)[O-]	225
+c1cc(ccc1OCCCCCCCC)C2=CC=C(C([NH+]2[O-])=O)CCCCCCCC	7057
+c1cc(ccc1C=O)OCCCCCCCCCCCCOC(C)=O	152
+c1cc(ccc1F)-c2sc(cc2-c3ccc(cc3)S(=O)(=O)C)NC(C)=O	2735
+c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3C(Br)(C(c4nc5n(CCN(Cc6ccccc6)C5)c4)OC(=O)C)C(N23)=O)=O	7058
+c1cc(ccc1[N+](=O)[O-])COC(C=2N3C(C(C(OC(C)=O)c4c5C6CC(CC6)c5n(C)n4)(Br)C3SC=2)=O)=O	4018
+c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3N2C(C3(Br)C(c4cc5COCCn5n4)OC(C)=O)=O)=O	4018
+c1cc(ccc1[N+]([O-])=O)OCC2(Oc3cc(Cl)c(cc3C(C2)=O)OC(C)=O)C	225
+c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F	125
+c1cc(ccn1)-c2c(c3cccc(Cl)n3n2)C(C)=O	2108
+C(C)(=O)NCc1cc(ccc1)-c2ccc3[nH]c4c(ccnc4C)c3c2	206
+c12ccccc1C(OC(=N2)C)=O	7059
+c1ccc2C(=O)C(C(=O)c2c1)=NNC(=O)Nc3c(cccc3)OC(C)=O	225
+c1c2CCN(CCc2ccc1)C(C)=O	319
+s1c2c(cccc2)c(NC(C)=O)c1C(O)=O	7060
+c1cc2c(cc1)c3c(cccc3)n2C(=O)C	4014
+c1c2CC(Cc2ccc1)NC(C)=O	206
+c1ccccc1-c2cc(NC(C)=O)n(n2)CC(OCC)=O	533
+c1cc(ccc1Nc2ncnc(c2)-c3ccccc3)CC(C(O)CCl)NC(C)=O	206
+c1ccccc1C(=O)c2c(OC(=O)C)cc3c(CCC3C(OC)=O)c2	225
+c1ccccc1C(=O)c2cc3c(C(C(=O)O)CC3)cc2OC(=O)C	225
+c1cc(ccc1)C(OC(C)=O)C(C)[N+]([O-])=O	152
+c1cc(ccc1)C(c2c(NC(C)=O)sc3CCCCc23)=O	2735
+c1cc(ccc1)C2(CCN(CC2)C(=O)C)CNC(=O)c3ccccc3OC	319
+c1ccccc1C2=CN(C(C)=O)C(C(C)C)C(N2CC(=O)NC(C(C#N)OC(C)=O)Cc3ccccc3)=O	152
+c1ccccc1C=Nc2ccc(OC(C)=O)c(c2)C(=O)OCC	225
+c1ccccc1CC(C(CC(CCC(C)(C)F)C(=O)N)OC(C)=O)NC(=O)c2nc3c(nc2)cccc3	152
+c1ccccc1CN2CCC(CC2)NC(=O)C	206
+c1ccccc1COC(N2CCCC2(C(=O)NC(C(OC)=O)C(OC(C)=O)C)Cc3ccccc3)=O	152
+c1ccccc1COC(=O)Nc2ccc(cc2O)NC(=O)C	125
+c1ccccc1COC(=O)C2CN(CCO2)C(C)=O	319
+c1ccccc1COC(N2c3c(cc(cc3)N4CC(CNC(=O)C)OC4=O)CCCC2)=O	206
+c1ccccc1COC(=O)NC(C(C)C)C(C(O)=O)OC(=O)C	7061
+c1ccccc1COC(NC(C(=O)OC)CNC(=O)C)=O	206
+c1ccccc1COC(c2c(ccc(c2)COC(C)=O)OC)=O	152
+c1ccccc1COC2CC(OC2COC(C)=O)N3C=C(C(NC3=O)=O)F	152
+c1ccccc1COCCCC(C)(C)COS(=O)(=O)CCCNC(C)=O	206
+c1ccccc1COCCOc2c(CN(C(C)=O)c3cc(F)ccc3Oc4ccccc4)cc(cc2)OC	808
+c1ccccc1COc2c3ccccc3c(CCOC(=O)C)c([N+]([O-])=O)c2	152
+c1ccccc1COc2c(OC)cc(c(NC(C)=O)c2)Br	125
+c1ccccc1COc2cccc([N+](=O)[O-])c2NC(C)=O	125
+c1ccccc1CSc2c(cc(cn2)NC(C)=O)C(C)C	2107
+c1ccccc1NC(=O)Nc2ccc(cc2)Oc3ncnc(c3)NC(=O)C	533
+c1ccccc1Nc2ccnc3[nH]c4CCN(C(C)=O)Cc4c23	319
+c1ccccc1Oc2c(NC(=O)C)cc(Cl)cc2	125
+c1cc(ccc1)Oc2c(cc(F)cc2)N(Cc3cc(OC)ccc3OCCOC4OCCCC4)C(=O)C	808
+c1ccccc1Oc2cc(C(C#N)COC(=O)C)ccc2	152
+c1ccn(c1)-c2cc([N+]([O-])=O)cc(NC(=O)C)c2	125
+c1ccn(c1)-c2cc(C(OC)=O)cc(COC(=O)C)c2	152
+c1n(c(nc1)Sc2ccc(cc2Cl)Nc3c4ccc(cc4ncc3C#N)C=CCOC(C)=O)C	7062
+c1n2nc(ccc2nc1NC(C)=O)Cl	7063
+c1(OC)c2c(c(cc1)OC)nccc2NC(=O)C	125
+c1c(-n2ccnc2)cccc1NC(C)=O	125
+n1(c(cc(C)n1)C)-c2nc(cc(NC(C)=O)n2)Cl	533
+N1(Cc2c(CC1)[nH]nc2Nc3cccc(c3)C(=O)OC)C(=O)C	319
+n1n(c2c(c1I)cc(NC(=O)C)cn2)C	2107
+C(CCCCCCCCCCCCO)CCCCOC(C)=O	168
+C(C)(c1c(n(Cc2ccccc2Cl)c3cc(ccc13)C(=O)N)CCC)=NO	1375
+CC(=O)c1c2c(cc(cc2)C(=O)N)n(c1CCC)Cc3ccccc3Cl	169
+CC(c1cc(cc(c1)Cl)C(=O)OC)=O	1030
+c1cc(ccc1)C(=O)Nc2cc(-c3cc(ccc3)C(=O)C)ccn2	3780
+FC(F)(F)c1ccc(c(N2CCCC2)n1)CNC(C(C)c3ccc(C#N)c(C)c3)=O	9
+Clc1cn(nc1)-c2ccc(cc2Cl)C(C)C(=O)O	1188
+FC(F)(F)c1ccc(c(-c2cccc(c2)C)n1)CNC(=O)C(C)c3ccc(C#N)c(Cl)c3	9
+CC(C(=O)O)c1cc2oc(N)nc2cc1	7064
+FC(F)(F)c1ccc(Oc2cc(ccc2)C(C(=O)O)C)c(c1)C=O	46
+CC(c1ccc([N+]([O-])=O)c(F)c1)C(OC)=O	27
+FC(F)(F)c1nc(c(CNC(C(c2ccc(nc2)C#N)C)=O)cc1)N3CCC(CC3)C	9
+C(N)(C(C)c1ccc2N(C(Sc2c1)=O)COC)=O	83
+CC(C(NNc1nnc(cc1)C(=O)OC)=O)c2ccc3ncccc3c2	355
+CC(C(=O)O)c1cc(ccc1)O	5
+FC(F)(F)c1ccc(cc1)C=C(c2ccc(cc2)OCCCCCCCCOC(C(C)=C)=O)C#N	7065
+c1ccccc1COC(NC(C(N)C)C)=O	101
+CC(c1nnc2n1nc(cc2)C(=O)OC)c3ccc4ncccc4c3	2736
+C1CN(CCN1Cc2ccccc2)C(=O)C(c3c(F)cccc3)C	10
+FC(F)(F)C(C(c1c(ccc(OC)c1)Cl)C)(O)c2ccc3c(N(C)C(=O)CO3)c2	1379
+CC1(C)Oc2c(cccc2)NC1=O	7066
+CC1(C)CC(CC(C)(C)N1)Nc2nc(ccn2)-c3ccc(cc3)C#CC(C)(C)N	197
+CC1(C)CC(CC(C)(C)N1)Nc2nccc(-c3ccc(s3)C#CC(C)(C)N)n2	1236
+FC(F)(F)CNc1c(cc(Cl)cn1)C(NC(C)(C)C#C)=O	3229
+CC(C)(C#Cc1ccc(c(C(c2ccc(cc2)Nc3c(cc(F)cc3)F)=O)c1)OC)N	197
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cnc(c3nc(-c4c(N)non4)n(CC)c23)C#CC(C)(C)O	7067
+CC(C)(C#Cc1ccc2nc(C(=O)OCC)cn2c1C)O	2379
+CC(C)(O)C#Cc1ccc(F)c(F)c1F	197
+CC(C)(C#Cc1cc(F)c(C#N)cc1)O	197
+CC(C)(C#Cc1cc2c(Oc3c(cc(Br)cn3)C24COC(=N)N4)cc1)O	7068
+c1cc(ccc1C#CC(C)(C)O)CCCCC	197
+c1cc(ccc1OC)C(C#CC(C)(C)O)O	4019
+c1cc(ccc1OC)OC(C)(C)C#C	3683
+CC1(C)OC(=CC1=O)c2ccc(cc2)OC	4020
+FC(F)(F)c1cc(ccc1)-c2cc3c(cc2)[nH]c(NC(=O)c4nc5ccc(c(n5c4)C)C#CC(C)(C)O)n3	4021
+C#Cc1cc(F)c(cc1)C#N	2110
+CC(C)(C#Cc1cc2c(cc1)Oc3c(cc(Br)cn3)C24COC(=N)N4)OC	7069
+CC(C)(C#Cc1cc2c(cc1)Oc3c(cc(cn3)-c4cnccc4)C25NC(=N)OC5)OC	1168
+CC(C)(C#Cc1c(n2c(nc(c2)C(O)=O)cc1)C)O	6
+CC(C)(C#N)c1nn(c(N)c1)-c2cccc(O)c2	752
+C[Si](C)(C)CCOCn1cc(C(NC(C2CC2)C(C)(C)C#N)=O)c3c1ncc(C4CC4)n3	484
+CC(C)(C#N)CCCC#N	913
+CC(C)(CN)Cc1cccc(Br)c1	51
+CC(C)(C)OC(=O)NC(CCCC)C(C#N)O	7070
+CC(C)(c1ccc(N)cc1C=C)C#N	7071
+c1cc(ccc1C)-c2cc(N)ccc2C(C)(C)C#N	11
+CC(C)(C#N)c1c(Br)cc(cc1)N	0
+CC(C)(c1c(C)ccc(F)c1)C=O	2013
+CC(C)(CN)c1cc(c(cc1)OC)OC	51
+CC(C)(c1cc(cc(C(C)(C)C#N)c1)Cn2ncnc2)C#N	4022
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)(C)C#N	17
+CC(C)(C#N)c1ncc(cc1)Nc2c3cc(Br)ccc3ncc2N	13
+CC(C)(c1ncc(cc1)N)C#N	13
+CC(C)(c1nc(ccc1)N)C#N	1380
+CC(C)(C#N)c1nc(ccc1)O	104
+ClC(Cl)(Cl)COC(=O)Nc1cc(C(C)(C)C#N)nn1-c2cccc(OCCOC3CCCCO3)c2	278
+CC(C)(C(=O)OCC)c1nsc2ccc(cc12)[N+](=O)[O-]	2061
+CC(C)(n1ncc(Cl)c1)C(OCC)=N	1664
+CC1(C)C(Nc2c(O1)cc(cc2)C)=O	4023
+CC1(C)Oc2c(NC1=O)cc(Br)c(F)c2	4023
+CC(C)(Br)C(Nc1ccccc1O)=O	829
+C1CCc2c1cc3CC(C)C(=O)c3c2	3348
+c1cc(ccc1C(C)(C)C(C(=O)O)NC)Br	4024
+c1ncncc1Cn2nc(-c3nc(c(nn3)C(C)(C)C(=O)OC)O)c4cc(cnc24)F	3553
+FC(F)(F)C(C)(C(C)(C)C(c1cc2c(n(-c3ccc(cc3)F)nc2)cc1)c4ccccc4)O	7072
+CC(C)(CCCCOCCCCCl)C(=O)OCC	204
+CC(C)(C(=O)N)c1ccccc1OCc2ccccc2	22
+CC(C)(c1ccccc1CCc2c(cnc(n2)Cl)Cl)C(N)=O	801
+CC(C)(c1c(cccc1)OCc2ccccc2)N	7073
+CC(C)(CN(c1nc(Nc2ccc(cc2OC)C(=O)OC)ncc1Br)C3CCCC3)C(NC)=O	55
+CC(C)(N(C)C)C(=O)NNc1ncc(F)cc1	355
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc(c(c1)Cl)[N+]([O-])=O)=O	10
+CC(C)(c1cc(c(cc1)F)OC)C(=O)N(OC)C	164
+CC(C)(C(OCCCC)=O)c1cc(O)c2c(OC(C)(C)C3CCC(CC23)O)c1	4025
+c1cc(ccc1C(C)(C)C(=O)O)O	5
+c1cc(ccc1C(C)(C)C(Nc2cc(ccc2)OCCOC)=O)S(=O)(=O)C=CC#N	33
+CC1(C)C(=O)NN=C1c2c3ccc(CC)nc3c(cc2)OC	7074
+c1cc(ccc1CN(CCC)C(=O)CCC(C)(C)C(=O)OC)-c2c(C#N)cccc2	58
+c1cc(ccc1)COCC(C)(C)C(=O)O	4
+c1cc(ccc1)COCC(C)(C)C(CC#N)=O	1982
+CC(C)(C(=O)OC)COc1ncc(-c2ccc3c(cc(nc3c2)C)C(=O)Nc4ccccc4)cc1	67
+c1cc(ccc1)NC(=O)c2cc(nc3c2ccc(-c4cnc(cc4)OCC(C)(C)C(=O)O)c3)C	4
+c1c(C)c(c(cc1CC(C)(C)C(=O)O)C)-c2[nH]c3ccc(cc3n2)-c4oc(-c5ccccc5C)nn4	4
+CC1(C)C(Nc2cc(N3CCOCC3)cnc12)=O	4026
+CC1(C)c2c(NC1=O)cc(Br)cn2	4026
+CC(C)(C)OC(N1CCN(CC1)C(C)(C)C(=O)OCC)=O	7075
+CC(C)(C)OC(=O)Nc1cccc(OC(C)(C)C(OCC)=O)c1	517
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(C)C(CCCc3cc(C)c(OC(C)(C)C(OCC)=O)cc3)C2	517
+CC(C)(Sc1ccc2c(c1)sc(N)n2)C(=O)OCC	3815
+O=S(=O)(CC)c1cc2c(OC(C)(C)C(=O)N2)c(c1)Br	7076
+CC(C)(C(OCC)=O)Oc1ccc([N+]([O-])=O)c(c1)F	517
+c1ccccc1-c2c3c([nH]c2C)cccc3OC(C)(C)C(=O)OCC	517
+CC(C)(Oc1ccc2c(c1)c(C(=O)OCc3ccccc3)c(C)[nH]2)C(OCC)=O	517
+C1CCCCC(C1)=C(c2ccc(cc2)O)c3ccc(cc3)OC(C)(C)C(OCC)=O	517
+CC(C)(C(OCC)=O)Oc1ccc(cc1)CCCC(=O)O	517
+FC(F)(F)c1ccc(cc1)-c2ccc(c(C)n2)CCOc3c4c(cccc4)cc(c3)OC(C)(C)C(OCC)=O	20
+CC(C)(C(=O)OCC)c1nsc2ccc(N)cc12	0
+CC(C)(C(C(N1CCCC1C(O)=O)=O)NC(OCC)=O)SC(C)C	4
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2C)Cl	4027
+CC1(C)C(C)(C)OB(O1)c2sc(cc2)C(=O)O	4027
+CC(C)(C(C)=O)c1cc(c(cc1)F)C#N	180
+c1cc(ccc1C=CC(C(C)(C)C(C)C)=O)Cl	964
+CC(C)(C(C)NS(=O)(=O)c1ccc(cc1)-c2c3cc([nH]c3ncc2)C4CC4)O	7077
+CC(C)(CCl)C(COc1ccc(cc1)-c2ccc(cc2)Cl)=O	717
+CC(C)(CF)C(COc1ccc(Cl)cc1Cl)=O	717
+c1cc(ccc1)[Si](c2ccccc2)(OCC(C)(C)C(=O)CBr)C(C)(C)C	328
+CC(C)(C(=O)N)c1ccccc1C#Cc2nc(Cl)ncc2Cl	838
+c1cc(ccc1)CSC(C)(C)C(C(=O)O)N	639
+c12c(C(=O)N(C1=O)CC(NC(c3cc(sc3)-c4ccnn4C)=O)C(C)(C)c5ccccc5)cccc2	2582
+CC(C)(Sc1cc2sc(N)nc2cc1)CN3CCCC3	15
+CC(C)(C(=O)NC)CN(C1CCCC1)c2nc(ncc2Br)Cl	54
+O=S(=O)(c1ccccc1)Nc2cc3c(n(c(C(C)(C)CC)n3)CC4CCCCC4)cc2	953
+CC(C)(CCC)C(=O)Cl	130
+CC(C)(CO)C(OCC)=O	939
+c1ccccc1COC(NC(C)(C)C(NC(CCc2ccccc2)C(OCC=C)=O)=O)=O	188
+CC(C)(C(O)=O)c1cncc(-c2ccc3c(CCC(=O)N3C)c2)c1	156
+CC(C)(O)C(Oc1c(cnc(Cl)n1)I)C	145
+CC(C)(O)C(C)Oc1ncnc(Cl)c1	145
+CC(C)(C(C)=O)c1cc(c(cc1)F)Br	86
+CC(C)(Oc1cc(C)c(SC#N)cc1C)C(=O)OC	517
+c1ccccc1COc2cc(c(cc2)OC(C)(C)C(OC)=O)C	517
+CC(C)(C(OC)=O)CC(c1ccc(cc1)-c2ccc(cc2)NC=O)=O	2111
+CC(C)(C(OC)=O)CC(c1ccc(cc1)-c2ccc(cc2)N)=O	2737
+CC(C)(COc1ccc(cc1)OC)CO	95
+C(C)C(CC)(c1cc(c(C#CC2(CCCC2)O)cc1)C)c3cc(c(C(NC(C)(C)C(OC)=O)=O)cc3)C	259
+CC(C)(C(=O)OC)NC(=O)c1ccc2c(nc3c(c2O)cccc3)c1	7078
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(c3)-c4cc(ccc4)C(=O)NC(C)(C)C(=O)OC)o2	259
+CC(C)(C(OC)=O)OCCCCCCCc1csc(n1)-c2ccccc2	3301
+CC(C)(C(OC)=O)OCCCCCCCC(=O)CCl	86
+CC(C)(C(OC)=O)OCCCCCCCC(O)CCl	7079
+CC(C)(C(OC)=O)OCCCCCCCC1OC1	553
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3c(cc(OC(C)(C)C(OC)=O)c(Cl)c3)Cl)c2	20
+c1ccccc1C#Cc2ccc(cc2)OCCc3csc(SC(C)(C)C(OC)=O)n3	129
+CC(C)(C(OC)=O)c1cc(c(OC)c(-c2c(ccc(C#N)c2)OC)c1)C=O	11
+CC(C)(c1cc(-c2[nH]c3c(cc(cc3)C(=N)N)n2)c(c(c1)-c4c(ccc(C#N)c4)OC)OC)C(=O)OC	622
+CC(C)(C(OCC)=O)CN	3664
+CC(C)(C)SCC(CC(C)(C)C(OCC)=O)=O	7080
+c1cc(ccc1S(=O)(=O)NCCCCCCC(C)(C)C(OCC)=O)Cl	7081
+CC(C)(CNC(c1c(c2ccc(cc2c(C#N)n1)Oc3cc4ccccc4cc3)O)=O)C(OCC)=O	658
+CC(C)(Oc1cc(c(N)cc1)F)C(OCC)=O	0
+c1cc(ccc1OCCN2C(=O)Sc3c2ccc(c3)C(=O)c4ccccc4)OC(C)(C)C(OCC)=O	7082
+FC(F)(F)c1ccc(cc1)-c2ncc(C(=O)NCc3cccc(c3)OC(C)(C)C(OCC)=O)c(C4CC4)n2	484
+FC(F)(F)c1ccc(cc1)CCNc2cccc(OC(C)(C)C(OCC)=O)c2	3418
+CC(C)(C(=O)O)c1cc(Cl)c([N+]([O-])=O)cc1	3
+CC(C)(CO)n1ncc([N+]([O-])=O)c1	44
+CC(C)(C(C)Oc1ncnc(OCC#CCC)c1)F	1138
+CC(C)([N+](=O)[O-])C(c1ccc2OCOc2c1)Cl	525
+CC(C)(C)C#Cc1sc(c(NC(OC(C)(C)C)=O)c1)C(OC)=O	1236
+CC(C)(C)C#Cc1c(NC(OC(C)(C)C)=O)cnc(c1)Cl	1243
+CC(C)(C)C#Cc1ccc(cc1F)C=2NC(=O)N(N=2)c3cc(ccc3Cl)CNC(C(C)C)=O	3732
+CC(C)(C)C#Cc1sc(c(N(C(C)C)C(=O)C2CCC(CC2)C)c1)C(=O)OC	1236
+CC(C)(C)C#Cc1ccc(C(=O)C)cc1Cl	197
+CC(C)(C)C#Cc1nc(Cl)ccc1N	3407
+CC(C)(C)C#Cc1cc(c(s1)C(=O)OC)N(C2CCC3(OCCO3)CC2)C(C4CCC(CC4)C)=O	1990
+CC(C)(C)C#Cc1ccc(cc1)CCS(=O)(=O)Nc2ccc(cc2S(=O)(=O)N)C	197
+CC(C)(C)C#Cc1cccc(N)c1C#N	197
+CC(C)(C)C#Cc1c(Cl)cc(cc1Cl)[N+](=O)[O-]	121
+CC(C)(C)C#Cc1c(c(C#N)cc([N+](=O)[O-])c1)N	197
+CC(C)(C)C#Cc1c(C)cc(c(C)c1)N	121
+CC(C)(C)C#Cc1c2c(c(nn1)Nc3ccc(cc3)Oc4ccnc5c4ncc(c5)OC)cccc2	7083
+CC(C)(C)C#Cc1cc(C)c(N=CN(C)C)cc1C	7084
+CC(C)(C)C#Cc1c(cc(cc1Cl)N=C=S)Cl	333
+CC(C)(C)C#Cc1c(Cl)cc(cc1Cl)N	0
+CC(C)(C)c1cc2cc(Cl)ncc2[nH]1	7085
+CC(C)(C)c1cc2c(c(C#N)cc([N+]([O-])=O)c2)[nH]1	2112
+CC(C)(C)c1n(CCO)c2cnc(Cl)cc2c1	7086
+CC(C)(C)C#Cc1sc(C(O)=O)c(N(C2CCOCC2)C(=O)c3ccc(cc3Cl)Cl)c1	1
+CC(C)(C)C#Cc1sc(c(N(C2CCC(CC2)O)C(=O)C3CCC(CC3)C)c1)C(=O)OC	100
+CC(C)(C)C#Cc1cc(N(C(c2ccc(cc2Cl)Cl)=O)C3CCOCC3)c(C(=O)OC)s1	4028
+CC(C)(C)C#Cc1cc(N(C2CCC(CC2)=O)C(C3CCC(CC3)C)=O)c(s1)C(=O)OC	97
+CC(C)(C)CCc1c(cc(C(C)=O)cc1)Cl	213
+CC(C)(C)CCc1cccc(N)c1C#N	213
+CC(C)(C)C#Cc1c(ccc(Cl)n1)NC(=O)CCC	308
+CC(C)(C)C#Cc1cc(N(C(C)C)C(C2CCC(CC2)C)=O)c(C(=O)O)s1	1
+CC(C)(C)C#Cc1sc(c(N)c1)C(=O)OC	4029
+CC(C)(C)c1nnc(CC#N)[nH]1	7087
+CC(C)(C)c1ncc[nH]1	7088
+CC(C)(C)c1noc(-c2ccc(cc2)C#Cc3cc(F)ccc3)n1	7089
+CC(C)(C)C1(CO1)C(F)(C)n2ncnc2	2113
+CC(C)(C)C(COc1n(-c2ccccc2)nc(C(=O)NC(C(=O)OC)CCC(=O)OC(C)(C)C)c1)=O	7090
+CC(C)(C)C(=O)CN1C(=O)C(CN(C2CCCCC2)c3ccc(C)cc13)NC(=O)OC(C)(C)C	7091
+CC(C)(C)C(=O)COc1c(C)cc(cc1)C(CC)(CC)c2nc3cc(C(=O)OC)ccc3o2	717
+CC(C)(C)C(=O)COc1ccc(cc1C)C(CC)(CC)c2cc3sc(cc3cc2)C(OCC)=O	717
+CC(C)(C)C(=O)COc1c(cc(cc1)C(CC)(CC)c2cc(c3oc(C(=O)OCC)cc3c2)C)C	717
+CC(C)(C)C(=O)COc1c(cc(cc1)C(CC)(CC)c2ccc3cc(C(OC)=O)ccc3c2)C	717
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2nc3ccc(C(=O)OC)cc3o2)cc1)C	717
+CC(C)(C)C(COc1ccc(cc1C)C(CC)(CC)c2oc3c(ccc(c3)OCc4ccccc4)c2)=O	717
+CC(C)(C)c1nc(N)sc1	1102
+CC(C)(C)C(CN1C(N(c2c(cc(s2)CC)C1=O)Cc3ccc(cc3)-c4c(C#N)cccc4)=O)=O	7092
+CC(C)(C)c1cc(N)n(n1)-c2cc(OC)ccc2	752
+CC(C)(C)c1cc(N)n(n1)-c2cc(c(cc2)C)I	752
+CC(C)(C)c1cc(N)n(-c2ccc3CCN(C(=O)C(F)(F)F)c3c2)n1	4030
+FC(F)(F)C(NCCc1cccc(c1)-n2c(N)cc(C(C)(C)C)n2)=O	752
+CC(C)(C)c1nn(-c2ccccc2C)c(c1)N	752
+CC(C)(C)c1nn(c(c1)N)-c2ccc(cc2)F	752
+CC(C)(C)c1cc(N)n(n1)-c2ccc(cc2)C	752
+CC(C)(C)c1cc(N)n(-c2ccc(cc2)[N+]([O-])=O)n1	752
+CC(C)(C)OC(=O)N1CC2CN(CC(C1)O2)CC(C(C)(C)C)=O	2382
+CC(C)(C)C(CN1C(C(CN(C2CCCCC2)c3c1cc(cc3)C)N)=O)=O	84
+CC(C)(C)C(CN1C(=O)c2cc(CC)sc2N(C1=O)Cc3ccc(cc3)-c4c(cccc4)C5=NOC(=O)N5)=NOC	350
+CC(C)(C)C(=O)COc1c(C)cc(cc1)C(CC)(CC)c2ccc3cc(oc3c2)C(O)=O	6
+CC(C)(C)C(COc1c(C)cc(cc1)C(CC)(CC)c2ccc(cc2)-c3nnn[nH]3)O	100
+CC(C)(C)C(=O)COc1c(C)cc(cc1)C(CC)(CC)c2ccc(cc2)C#N	1013
+CC(C)(C)C(=O)COc1c(C)cc(C(CC)(CC)c2ccc(cc2)-c3nnn[nH]3)cc1	1174
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2cc3ccc(cc3cc2)C(=O)N(C)C)cc1)C	115
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2oc3c(ccc(c3)C(O)=O)n2)cc1)C	1
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2nc3c(o2)cc(cc3)C(N(C)C)=O)cc1)C	30
+CC(C)(C)C1(OCCO1)COc2c(cc(cc2)C(CC)(CC)c3cc(c4oc(C(=O)OCC)cc4c3)C)C	381
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2ccc3c(ccc(C(=O)O)c3)c2)cc1)C	1
+CC(C)(C)C(COc1c(C)cc(cc1)C(CC)(CC)c2cc3c(cc(C(=O)N(C)C)s3)cc2)O	100
+CC(C)(C)C(COc1c(C)cc(cc1)C(CC)(CC)c2cc3sc(cc3cc2)C(O)=O)O	100
+CC(C)(C)C(=O)COc1ccc(C(CC)(CC)c2cc3c(cc(C(=O)N(C)C)s3)cc2)cc1C	867
+CC(C)(C)C(=O)COc1ccc(cc1C)C(CC)(CC)c2cc3sc(cc3cc2)C(O)=O	6
+CC(C)(C)C(OCC1CCN(CC1)C(=O)OC(C)(C)C)=O	204
+CC(C)(C)C(N1c2c(cccc2)NC(C(NC(OC(C)(C)C)=O)C1)=O)=O	192
+CC(C)(C)C(NS(=O)(=O)c1ccccc1NC(=O)c2cc(ccc2)OCc3ccc(cc3)C(C)(C)C)=O	2738
+CC(C)(C)C(=O)NCc1cc(c(cc1)Cl)Nc2[nH]c3cc(c(Cl)cc3n2)N4C(CCC4)CN(C)C	68
+CC(C)(C)C(=O)Nc1nc2ccc(cc2cc1)-c3ccccc3C	195
+CC(C)(C)C(Nc1c(cc(Cl)cc1)C2Nc3ccccc3C2)=O	26
+CC(C)(C)C(=O)Nc1ccc(cn1)Cl	195
+CC(C)(C)C(=O)Nc1nn(C)c(c1C#N)N	195
+FC(F)(F)c1ccc(-c2nc3ccc(cn3c2)Br)cc1NC(C(C)(C)C)=O	26
+FC(F)(F)c1ccc(cc1NC(C(C)(C)C)=O)-c2nc3ccc(Cl)nn3c2	26
+CC(C)(C)C(NCc1ccc(Cl)c(Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(cc3n2C)OCC(F)F)c1)=O	68
+CC(C)(C)C(NCc1cc(c(cc1)Cl)C=2NC(=O)N(c3cc(Cl)c(cc3)F)N=2)=O	3733
+CC(C)(C)C(=O)NCc1c(cc(Cl)c(c1)C2=NC(=O)N(N2)c3cc(Cl)c(F)cc3)F	68
+CC(C)(C)C(=O)NCc1ccc(Cl)c(N)c1Cl	68
+CC(C)(C)C(=O)NCc1ccc(c(N)c1F)Cl	68
+CC(C)(C)C(Nc1c(ccc(-c2nc3ccc(Cl)nn3c2)c1)C)=O	26
+CC(C)(C)C(=O)Nc1ccc(c(OC)c1)Cl	26
+CC(C)(C)C(=O)Nc1ccc(C#N)c(OCC=C)c1	26
+CC(C)(C)C(Nc1nccc(c1)Cl)=O	195
+CC(C)(C)C(=O)NS(=O)(=O)c1cc(Cl)ccc1OCC(=O)N2CC(C)N(CC2C)Cc3ccc(cc3)F	2738
+CC(C)(C)C(Oc1c(c(O)nc2c1nccn2)-c3ccc(nc3Cl)Cl)=O	4031
+CC(C)(C)C(=O)NCc1c(F)c(c(F)cc1)N	68
+CC(C)(C)C(=O)Nc1ccc(c(c1)[N+]([O-])=O)F	26
+CC(C)(C)C(=O)Nc1c(c(c(Br)cc1)[N+]([O-])=O)C(OC)=O	26
+CC(C)(C)C(=O)Oc1cccc(C=O)c1	385
+CC(C)(C)C(Oc1c(-c2nnn[nH]2)cccc1)=O	385
+CC(C)(C)C(Nc1c(Cl)cccc1CO)=O	26
+CC(C)(C)C(=O)Nc1c(ccc(OC)c1)-c2ccccc2	26
+CC(C)(C)C(=O)NC(C)C(c1ccccc1)Oc2cc3c(n(-c4ccc(cc4)F)nc3)cc2C	68
+CC(C)(C)C(Nc1c(C)ccc(-c2c(n3nc(ccc3n2)OC)-c4ccc(cc4)F)c1)=O	26
+CC(C)(C)C(=O)Nc1n(Cc2ccc(cc2)OC)ncc1C(N)=O	195
+CC(C)(C)C(Nc1ccc(cc1)C#N)=O	26
+CC(C)(C)C(Nc1ccc(cc1)Cl)=O	26
+CC(C)(C)C(Nc1ncc(cc1)Br)=O	195
+CC(C)(C)C(=O)Nc1ccccc1C	26
+CC(C)(C)C(NC(c1nccnc1Cl)c2ccc3ccc(-c4ccccc4)nc3c2)=O	68
+CC(C)(C)C(=O)Nc1ccc(-c2ccccc2)cn1	195
+CC(C)(C)C(=O)Nc1c(C)ccc(c1)-c2nc3n(c2Br)nc(cc3)OC	26
+CC(C)(C)C(=O)Nc1cc(F)cnc1	308
+CC(C)(C)C(Nc1cncc(c1)Br)=O	308
+CC(C)(C)C(=O)Nc1n(C)nc(C)c1	195
+CC(C)(C)c1nc(co1)CCl	7093
+CC(C)(C)C(N(c1ccc(cc1)CN)C)=O	107
+CC(C)(C)C(N(C1CN(C(C(=O)N)C1)C(=O)OC(C)(C)C)C2CCC(CC2)C)=O	83
+FC(F)(F)C(N1CCc2c(C#CCCNC(C(C)(C)C)=O)c(ccc2CC1)Cl)=O	1247
+CC(C)(C)C(NCc1ccc(c(Nc2nc3c(cc(F)c(c3)C(Nc4ccc(c(Cl)c4)F)=O)n2C)c1Cl)Cl)=O	1023
+CC(C)(C)C(=O)NCc1ccc(c(N=C=S)c1F)F	1381
+CC(C)(C)C(=O)NCc1c(F)c(C(Nc2cccc3c(ncnc23)Oc4cccc(C(F)(F)F)c4)=O)c(cc1)Cl	487
+CC(C)(C)C(=O)NCc1c(Cl)c(N=C=S)c(cc1)Cl	1381
+CC(C)(C)C(=O)NCc1ccc(c(c1F)N=C=S)Cl	1381
+CC(C)(C)C(=O)NCc1c(F)c(c(cc1)F)Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(OCC(F)F)cc3n2C	1023
+Nc1c(-c2ncccc2)cc(Br)c(F)c1[N+]([O-])=O	685
+CC(C)(C)C(=O)Nc1c(-c2ccccn2)cc(Br)c(F)c1[N+]([O-])=O	31
+CC(C)(C)C(Nc1c(B(O)O)ccc(OC)c1)=O	281
+CC(C)(C)C(=O)Nc1c(C(=O)OC)c(cc(c1)F)O	16
+CC(C)(C)C(Nc1c(c2nc3n(c2cc1)CCC3)C(=O)OC)=O	2739
+Clc1cc(c(N)cc1)C(=O)c2cccnc2	685
+n1cccnc1-c2c(N)c(cc(Br)c2)[N+]([O-])=O	685
+CC(C)(C)C(Nc1c(F)c(C(=O)c2ccc3nccnc3c2)c(cc1)F)=O	335
+CC(C)(C)C(Nc1ccc(C#N)c2c1cc(C)o2)=O	7094
+CC(C)(C)C(=O)Nc1c(C(OC)=O)c(OCc2ccccc2)cc(F)c1	128
+CC(C)(C)C(=O)Nc1cncc(F)c1I	916
+CC(C)(C)C(=O)Nc1cc(c(cc1)NCC2CCCCC2)N	0
+CC(C)(C)C(Nc1c(C=O)cc(-c2ccccc2)cn1)=O	1031
+CC(C)(C)C(=O)Nc1c(c(O)c(C#N)cc1)CC=C	423
+CC(C)(C)C(=O)Nc1ncc(cc1)CC	1661
+CC(C)(C)C(Nc1ccc(CO)c(C)n1)=O	269
+CC(C)(C)C(=O)Nc1c(C=O)c(OC)c(cc1)Cl	151
+C1COCCN1c2cnc3ccc(cc3n2)C(c4ccc(cc4)N)=O	685
+CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)c2ccc3ncc(N4CCOCC4)nc3c2	335
+CC(C)(C)C(=O)Nc1ncc(Cl)cc1C=O	1031
+CC(C)(C)C(Nc1c(I)cc(N2CCN(CC2)C)nc1)=O	916
+CN(C)CCc1c(cc(-c2nc(ccc2)N)c(c1)OC)OC	1189
+CC(C)(C)C(=O)Nc1nc(ccc1)-c2c(cc(CCO)c(c2)OC)OC	35
+CC(C)(C)C(Nc1c(C(O)c2c(cc(Cl)cn2)NS(=O)(=O)c3ccc(c(C(F)(F)F)c3)Cl)c(ccc1)OC)=O	7095
+CC(C)(C)C(Nc1cc(ccc1)C(c2ccc3ncc(nc3c2)Cl)=O)=O	335
+CC(C)(C)c1[nH]c2c(cccc2)c1	7096
+Nc1cncc(F)c1I	4032
+CC(C)(C)CNc1n(nc(C)c1)C	15
+CC(C)(C)c1nc(O)c2c(n1)n(Cc3ccc(cc3)OC)nc2	7097
+CC(C)(C)C(=O)Nc1nc(-c2cc(CC)c(cc2OC)CCO)ccc1	35
+CN(C)CCc1cc(OC)c(-c2nc(N)ccc2)cc1CC	1189
+CC(C)(C)C(=O)Nc1nc(ccc1)-c2cc(c(CC=O)cc2OC)CC	24
+n1c(ccc(Cl)c1Cl)N	1189
+CC(C)(C)C(Nc1nc2c(c3c(cccc3)[nH]2)c(n1)Nc4cc(ccc4)Br)=O	1665
+CC(C)(C)C(=O)Nc1nc(Cl)c2c([nH]c3ccccc23)n1	1032
+CC(C)N(C(C)C)CC#Cc1c2c(nc(NC(=O)C(C)(C)C)nc2n(c1)Cc3c(c(c(C)cn3)OC)C)Cl	3958
+CC(C)(C)C(=O)Nc1cccc(-c2c(cc(CCN(C)C)c(c2)OC)OC)n1	61
+CC(C)(C)C(=O)Nc1nc(ccc1)-c2c(OC)cc(CC=O)c(c2)OC	24
+CC(C)(C)C(=O)Nc1nc(-c2cc(CC)c(CCN(C)C)cc2OC)ccc1	61
+CC(C)(C)C(=O)Nc1nc(Cl)c(Cl)cc1	395
+CC(C)(C)C(=O)Nc1c(I)cc2c(n1)ccc(-c3ccccc3C)c2	625
+Nc1c(cc(Cl)cn1)C=O	1189
+CC(C)(C)C(=O)Nc1[n+](cc(cc1)CC)[O-]	341
+CC(C)(C)c1c(Cl)nnc(Cl)c1	3836
+CC(C)(C)C(OC(CC)c1c2c(nc3N(CCCn23)c4c(Cl)cc(Cl)cc4)c(cc1)Cl)=O	7098
+CC(C)(C)C(=O)Oc1ccc(cc1)C(c2sc(S(=O)(=O)N)cc2)=O	7099
+CC(C)(C)C(OC1CC(C1)O[Si](C)(C)C(C)(C)C)=O	655
+C1CN(CCN1CC(COc2c(OC)cc3c(ncnc3O)c2)O)C	1666
+C1CCCN1CC(O)COc2c(OC)cc3c(ncnc3O)c2	1666
+CC(C)(C)C(=O)OCN1C=Nc2c(C1=O)cc(OC)c(O)c2	16
+C1CN(CCC1)CCCOc2cc3ncnc(c3cc2OC)O	1666
+C1CC(CCC1)Cn2c3c(OC)cccc3c(-c4nc(sc4)CO)c2	4033
+CC(C)(C)C(=O)OCn1nc(cc1)N2C(C(C(O)C(OC(C)(C)C)=O)OCC2)=O	4034
+CC(C)(C)C(=O)OCn1nc(cc1)N2CCOC(C(O)C(=O)O)C2=O	32
+CC(C)(C)C(=O)OCn1nc(N2C(C(C(O)C(Nc3ccc(cc3C(N)=O)I)=O)OCC2)=O)cc1	33
+C(C)OC(OCC)c1ccc(nc1)-c2c[nH]nn2	4035
+CC(C)(C)C(=O)Oc1cc2c(CC(CC2)c3ccc(cc3NCCCc4ccc(cc4)CC(=O)O)OC)cc1	7100
+CC(C)(C)C(=O)Oc1cccc(CO)c1	41
+CC(C)(C)C(=O)Oc1cc(CP(OCC)(OCC)=O)ccc1	590
+CC(C)(C)C(c1ccc(CC(C)C(=O)O)c(Br)c1)=O	4036
+CC(C)(C)[Si](C)(C)OCc1ccc(c(c1)C(=O)C(C)(C)C)-c2cc(ccc2F)OC	19
+CC(C)(C)C(=O)c1c2c(cc(OC)cc2)n(CC(=O)O)n1	3
+CC(C)(C)c1nc(c(s1)-c2nc(ncc2)Cl)-c3cccc(c3F)NC(OCC=C)=O	873
+CC(C)(C)c1sc(c(-c2c(c(ccc2)NS(=O)(=O)c3c(cccc3F)F)F)n1)-c4nc(Cl)ncc4	873
+CC(C)(C)C(O)C#Cc1ccc(cc1)C(CC)(CC)c2cc(C)c(OCc3ccccc3)cc2	197
+CC(C)(C)c1c(N)n[nH]c1N	4037
+CC(C)(C)C(NC(C(NCC)C(C)(C)c1ccccc1)=O)C(N(C)C(C=C(C(=O)OCC)C)C(C)C)=O	207
+CC(C)(C)C(C(N)=O)N	334
+CC(C)(C)C(C(=O)N1CCC2N(CC(c3c4ccc(cc4[nH]c3)F)C12)C5CCCC5)N	84
+CC(C)(C)C(NC(=O)c1[nH]c2ccccc2c1)C(N3C4CC(N(C(=O)c5ccc(-c6ncc(C#N)cc6)cn5)C4)C3)=O	147
+CC(C)(C)C(NC(=O)c1[nH]c2ccccc2c1)C(N3C4CC(C3)N(C(=O)c5ccc(cn5)Br)C4)=O	147
+C[Si](C)(C)CCOCn1cc(C(NC(C(C)(C)C)C(N2CCC(CC2)C#N)=O)=O)c3c1ncc(Br)n3	2717
+CC(C)(C)C(NC(=O)OC)C(NC(C(CC(NC(=O)OC(C)(C)C)Cc1ccccc1)O)Cc2ccccc2)=O	9
+CC(C)(C)C(C(NNCc1ccccc1)=O)NS(=O)(=O)C	355
+CC(C)(C)C(C(=O)O)NC(=O)C(C1CCCCC1)NC(=O)c2cnccn2	4
+CC(C)(C)C(NC(=O)N1C(N(c2ccccc12)CCC(C)(C)O)=O)C(=O)N	7101
+CC(C)(C)C(C(N)=O)NC(c1c2c(n(Cc3noc(C)c3)n1)cccc2)=O	712
+CC(C)(C)C(N)C(N1CCC(CC1)(O)c2ccccc2)=O	84
+CC(C)(C)C(C(NC)=O)NC(c1c2n(CCN(C(OC(C)(C)C)=O)C2)c(n1)-c3ccccc3)=O	1795
+CC(C)(C)C(NC(=O)c1c2CNCCn2c(-c3ccccc3)n1)C(NC)=O	2
+CC(C)(C)C(C(=O)O)NS(=O)(=O)C	4038
+CC(C)(C)C(NC(=O)c1ccccc1C)C(O)=O	946
+CC(C)(C)OC(=O)C(C(C)(C)C)NCCN	45
+CC(C)(C)C(O)(C)C(=O)O	7102
+CC(C)(C)C(=Cc1c(Cl)cc(cc1)Cl)C	846
+CC(C)(C)C(Cc1cc(c(cc1)OC)OCc2ccccc2)=O	3517
+CC(C)(C)C(C)N(Cc1ccc2n(COC(N3CCCC3)=O)c(nc2c1)N)C(=O)OCc4ccccc4	4039
+CC(C)(C)C(C)N(C(=O)OCc1ccccc1)Cc2ccc(NCOC(=O)N3CCCC3)c(c2)N	0
+CC(C)(C)C(Nc1nc(ncc1F)-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)F)CCC(=O)OCC	783
+CC(C)(C)C(C=CC(OCC)=O)Nc1nc(ncc1F)-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)F	1344
+CC(C)(C)C(Nc1c(F)cnc(n1)Cl)CC(OC)=O	40
+CC(C)(C)C(Nc1nc(ncc1F)-c2c[nH]c3ncc(cc23)F)CC(=O)O	4
+CC(C)(C)C(CC(OC)=O)Nc1c(F)cnc(-c2c[nH]c3ncc(cc23)F)n1	392
+CC(C)(C)C(C(C(=O)OCC)=CN(C)C)=O	2740
+CC(C)(C)C(CN1C(C(CN(C2CCCCC2)c3ccc(C)cc13)NC(=O)Nc4cc(C(O)=O)ccc4)=O)=O	6
+CC(C)(C)C(=O)CN1C(N(c2sc(cc2C1=O)CC)Cc3ccc(cc3)-c4c(cccc4)C5=NOC(=O)N5)=O	618
+CC(C)(C)C(CN1CC2CN(CC(C1)O2)CCc3ccc(cc3)C#N)=O	123
+CC(C)(C)C(O)CN1C(=O)C(=C(n2c1nc(C)n2)CCC)Cc3ccc(cc3)-c4ccccc4C#N	100
+CC(C)(C)C(OC)CN1c2n(nc(C)n2)C(=C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)C1=O)CCC	618
+CC(C)(C)c1oc(-c2cc(OCC3CC3)c(C4CC4)cn2)nc1	7103
+CC(C)(C)C(C)(C=O)O	24
+CC(C)(C)C(COc1c2c(ncn1)oc(c2-c3ccc(cc3)CC)-c4ccccc4)CO	2741
+CC(C)(C)C(Nc1nc(ncc1F)Cl)C=O	24
+CC(C)(C)C(COS(=O)(=O)C)Nc1nc(ncc1F)Cl	7
+CC(C)(C)C(COC)(COC)COC(C)(C)C(C)C	76
+CC(C)(C)C(CSC(=O)C)Nc1nc(Cl)ncc1F	7104
+CC(C)(C)C(CN=[N+]=[N-])Nc1c(F)cnc(n1)Cl	133
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2cc3cc(ccc3s2)OS(=O)(=O)C)C)=O	444
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2cc3cc(O)ccc3s2)C)=O	5
+CC(C)(C)OC(COCC(C(C)(C)C)COc1ncnc2oc(c(-c3ccc(cc3)CC)c12)-c4ccccc4)=O	337
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2cc3ccc(OS(=O)(=O)C)cc3o2)C)O	100
+CC(C)(C)C(COc1ccc(cc1C)C(CC)(CC)c2cc3ccc(OS(=O)(=O)C)cc3o2)=O	444
+CC(C)(C)C(COc1ccc(cc1C)C(CC)(CC)c2cc3ccc(cc3o2)O)=O	16
+CC(C)(C)C(COc1n(nc(C(NC(CCC(=O)OC(C)(C)C)C(O)=O)=O)c1)-c2ccccc2)=O	4
+CC(C)(C)C(Nc1c(F)cnc(-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)F)n1)CS(=O)(=O)C	1344
+CC(C)(C)C(CSC)Nc1nc(ncc1F)Cl	3424
+CC(C)(C)C(CS)Nc1c(F)cnc(Cl)n1	1113
+CC(C)(C)C(CS(=O)(=O)C)Nc1nc(ncc1F)Cl	991
+CC(C)(C)C(Cc1ccc(c(OCc2ccccc2)c1)OC)NC=O	707
+CC(C)(C)C(Cc1cc(c(OC)cc1)OCc2ccccc2)N	7105
+CC(C)(C)C1Cc2c(C=N1)cc(c(c2)OCc3ccccc3)OC	2742
+CC(C)(C)C(Nc1c(cnc(-c2c[nH]c3ncc(cc23)F)n1)F)Cn4cc(nn4)CO	392
+CC(C)(C)C(=O)N(C1CC(C#N)N(C(OC(C)(C)C)=O)C1)C2CCC(CC2)C	143
+CC(C)(C)C(N(c1ccc(cc1)CNc2c3c(CCN(C(C(F)(F)F)=O)CC3)ccc2Cl)C)=O	1627
+CC(C)(C)C(C)NC(Nc1cc(OC)cc(OC)c1)=C(S(=O)(=O)C)C#N	7106
+CC(C)(C)C(NCCc1c(oc(n1)COc2ccccc2)C(=O)OCC)C	285
+FC(F)(F)C(C)Oc1c(C2CC2)cnc(C(NC(C(C)(C)C)C#N)=O)c1	81
+CC(C)(C)C(C(NC)=O)NC(=O)c1c2n(CCN(C(OC(C)(C)C)=O)C2)c(n1)Br	4040
+CC(C)(C)C(NC(=O)c1c2cccc(c2n(n1)Cc3ccc(cc3)C#N)F)C(=O)NCCO	712
+C[Si](C)(C)CCOCn1cc(c2nc(C3CC3)cnc12)C(NC(C(N4CCC(CC4)(O)c5ccccc5)=O)C(C)(C)C)=O	2717
+CC(C)(C)C(CO)Nc1c(F)cnc(Cl)n1	40
+CC(C)(C)C(NC(c1nn(c2C3CC3Cc12)-c4cc(Br)ccn4)=O)CO	81
+CC(C)(C)OC(=O)NC1C(N(c2c(cccc2)N(C1)C(=O)C(C)(C)C)CC(c3ccccc3C)=O)=O	4041
+CC(C)(C)C(=O)N1c2ccccc2N(CC(c3ccccc3C)=O)C(C(C1)NC(Nc4cccc(c4)C)=O)=O	1631
+CC(C)(C)C(NC(=O)OC)C(NC(Cc1ccccc1)C(O)CC(N)Cc2ccccc2)=O	12
+CC1(C)C(C)(C)OB(O1)c2ccc(C(N3CC4CC3CN4C(C(NC(=O)c5[nH]c6ccccc6c5)C(C)(C)C)=O)=O)nc2	234
+CC(C)(C)C(C(NC)=O)NC(c1nc(n2CCN(S(=O)(=O)CC)Cc12)-c3ccccc3)=O	112
+CC(C)(C)C(NC(c1ccccc1C)=O)C(=O)N	83
+CC(C)(C)C(NC(C(NCC)C(C)(C)c1ccccc1)=O)C(N(C(C(C)C)C=C(C)C(=O)O)C)=O	108
+CC(C)(C)C(C(NC(C1CCCCC1)C(NC)=O)=O)N	84
+CC(C)(C)C(NC(OC(C)(C)C)=O)C(NC(C(=O)NC)C1CCCCC1)=O	248
+CC(C)(C)OC(=O)NC(C(C)(C)C)C(=O)N1C(C(NC(Cc2ccc3ccccc3c2)C(=O)OC)=O)C(CC1)N=[N+]=[N-]	348
+CC(C)(C)C(C(=O)N)NC(=O)OCc1ccccc1	83
+CC(C)(C)C(NC(=O)c1ccc([n+](c1)[O-])-c2c(c(F)cc(C(NC3CC3)=O)c2)C)C	103
+CC(C)(C)C(NC(c1ccc(cc1)-c2cnc3n(n2)c(C4(CC4)c5ccc6ncsc6c5)nn3)=O)C(O)=O	32
+CC(C)(C)C(C(=O)N(C)C)NC(c1ccc(cc1)-c2cnc3n(n2)c(C4(CC4)c5ccc6ncsc6c5)nn3)=O	10
+CC(C)(C)C(NC(c1ccc(cc1)-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)=O)C(O)=O	32
+CC(C)(C)c1n2ccnc(Cl)c2c(-c3cc4nc(-c5ccccc5)ccc4cc3)n1	4042
+CC(C)(C)C(NC(c1c2c(C3CC3C2)n(-c4nccc(C#N)c4)n1)=O)CO	7107
+CC(C)(C)C(NCCc1nc(COc2ccccc2)oc1C(O)=O)C	6
+CC(C)(C)C(=O)NCc1c(c(C(O)=O)c(cc1)Cl)F	6
+CC(C)(C)C(C)N(C(=O)OCc1ccccc1)Cc2ccc(c(c2)[N+]([O-])=O)NCOC(=O)N3CCCC3	66
+CC(C)(C)C(Nc1c(-c2c(n(nc2C#N)CC)CC)ccc(c1)OC)=O	800
+c1cc(ccc1)C(=O)c2c(N)nccc2Cl	1189
+CC(C)(C)C(Nc1ncc(-c2ccccc2)cc1-c3[nH]c4ccccc4n3)=O	1637
+C1CC1c2nc(c(s2)-c3nc(ncc3)SC)-c4cc(cc(c4F)N)Cl	685
+C1COCCN1c2cnc3c(cc(C(=O)c4c(F)c(cc(F)c4F)N)cc3)n2	685
+CC(C)(C)C(Nc1nc(ncc1F)-c2c[nH]c3ncc(cc23)F)CS(=O)(=O)C	392
+CC(C)(C)C(CC(OC)=O)Nc1nc(ncc1F)-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)F	1344
+CC(C)(C)C(Nc1cnc(N2CCN(CC2)C)cc1-c3c(C)cccc3)=O	1164
+CC(C)(C)C(Nc1c(F)c(c(F)c(c1)F)C(c2cc3c(cc2)ncc(N4CCOCC4)n3)=O)=O	335
+BrC1(Br)C2C1COc3c(c(N)cc(c23)F)C(OC)=O	685
+Nc1ccc2c(nc3CCCn23)c1C(=O)OC	685
+CC(C)(C)C(=O)Nc1c([N+](=O)[O-])cc(cc1-c2ncccn2)Br	31
+CC(C)(C)C(Nc1c(ccc(-c2nc3ccc(nn3c2)-c4c(ccnc4)C(F)(F)F)c1)C)=O	2512
+CC(C)(C)C(Nc1ccc(c(C(c2cc3c(cc2)nccn3)O)c1)F)=O	257
+CC(C)(C)C(=O)Nc1c(c2c(C=CCO2)c(F)c1)C(=O)OC	1318
+C1CN(CCC1Nc2c(cnc(c2)N)Cl)C	1189
+C1COCCN1c2cnc3ccc(cc3n2)C(c4cccc(c4)N)=O	685
+CC(C)(C)C(Nc1ccc(c(C)n1)COCC)=O	481
+CC(C)(C)C(=O)Nc1c(C(c2cccnc2)=O)cc(cc1)Cl	814
+c1cc2c(cc1C(c3cc(ccc3F)N)=O)nccn2	685
+CC(C)(C)C(=O)Nc1c(c(C(O)c2cc3c(cc2)nccn3)c(cc1)F)F	1641
+CC(C)(C)C(Nc1ccc(F)c(c1)C(c2cc3c(nccn3)cc2)=O)=O	335
+Cc1nc(ccc1COCC)N	1189
+c1cc(ccc1N)-c2ncccn2	685
+CC(C)(C)C(Nc1ccc(cc1)-c2ncccn2)=O	345
+CC(C)(C)C(Nc1ccc(cc1)B(O)O)=O	422
+CC(C)(C)C(=O)N(C)c1ccc(cc1)C#N	239
+CC(C)(C)C(Nc1ccc(Cl)cc1C(O)c2cnccc2)=O	7108
+CC(C)(C)C(=O)Nc1ccc(cc1)Oc2cc3nc(cnc3cc2)N4CCN(CC4)C(=O)OC(C)(C)C	4043
+CC(C)(C)C(=O)Nc1cccc(c1)C(O)c2ccc3ncc(Cl)nc3c2	257
+CC(C)(C)C(=O)Nc1c(cccc1)-c2c(C)n(Cc3ccccc3)nc2C#N	800
+C1CN(CCN1C)c2cc(-c3c(C)cccc3)c(cn2)N	4032
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cc(cnc3)NC(=O)C(C)(C)C	156
+CC(C)(C)C(Cn1cc(nn1)CO)Nc2nc(ncc2F)-c3c4cc(cnc4n(S(=O)(=O)c5ccc(cc5)C)c3)F	1344
+CC(C)(C)C(C=CC(OCC)=O)Nc1nc(ncc1F)Cl	1667
+n1c(N)nc2[nH]c3c(cccc3)c2c1Nc4cccc(c4)Br	4044
+CC(C)(C)C(Nc1cc(Cl)c(cn1)Cl)=O	395
+CC(C)(C)C(Nc1c(C(c2ccccc2)=O)c(ccn1)Cl)=O	7109
+CC(C)(C)C(CN1c2nc(C)nn2C(CCC)=C(C1=O)Cc3ccc(cc3)-c4ccccc4C#N)OC	76
+CC(C)(C)C(CNC(=O)c1ncc(C2CC2)c(c1)OCC3CC3)=O	86
+CC(C)(C)[Si](C)(C)OC1CC(C1)O	4033
+CC(C)(C)C(=O)OCC1CCNCC1	2
+CC(C)(C)C(OCOC(=O)C(Cc1cc2c(nc(cc2)-c3c(cccc3Cl)Cl)cc1)NC(c4c(Cl)cccc4Cl)=O)=O	7110
+CC(C)(C)C(=O)OCN1C=Nc2cc(OCc3ccccc3)c(cc2C1=O)OC	7111
+C1CC(CCN1C)Oc2cc(OC)cc3ncnc(c23)O	1666
+c12cc(cc(OCCCl)c1c(ncn2)O)OC	1666
+CC(C)(C)C(OCN1C=Nc2c(C1=O)c(OCCCl)cc(OC)c2)=O	1668
+CC(C)(C)C(OCn1cc(-c2ccc(nc2C)Cl)nn1)=O	7112
+CC(C)(C)C(=O)OCn1nnc(-c2ccc(C(OCC)OCC)cn2)c1	2743
+Cc1c(ccc(n1)Cl)-c2[nH]nnc2	4035
+CC(C)(C)C(OC1=C(c2c(nc(cc2)Cl)Cl)C(N(c3nccnc13)CC(F)F)=O)=O	7113
+CC(C)(C)C(=O)c1nn(c2cc(OC)ccc12)CC(=O)OCC	1458
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)C(C(C)(C)C)(c3cncnc3)O)C	17
+CC(C)(C)Cc1cc(Br)c(CC(C)C(=O)O)cc1	165
+CC(C)(C)C(c1c(cc(I)cc1)[N+](=O)[O-])OC(=O)C2CC3CCC2(C)C3(C)C	204
+CC(C)(C)C(COc1ccc(cc1)F)(O)C(C)(F)n2cncn2	626
+CC(C)(C)C(COC)(CO)COC(C)(C)C(C)C	4045
+C1OC2(OCC1(CO2)C(C)(C)C)CCCCCC#C	7114
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)Nc2ccc(cc2)C(O)=O	7115
+CC(C)(C)C1=CC(C=C(C(C)(C)C)C1=O)=Nc2ccc(cc2)C(=O)O	7116
+CC(C)(C)C=1ON(C(=O)C=1)c2ccc(cc2[N+]([O-])=O)S(=O)(=O)CCO	7117
+CC(C)(C)c1nc2n(c(c(c(C)c2C#N)-c3ccccc3)Cl)n1	7118
+CC(C)(C)C1C(=C(C(N1Cc2cc(Cl)c(cc2)F)=O)C=3N=S(c4c(ccc(N)c4)N=3)(C)=O)O	0
+CC(C)(C)C1C(=C(C=2N=S(C)(c3cc(ccc3N=2)NS(=O)(=O)C)=O)C(N1Cc4cc(Cl)c(cc4)F)=O)O	80
+CC(C)(C)C1CC(C1)=O	2744
+CC(C)(C)C1CCC(CC1)=Cc2ccc3cc(CN4CCC(CC4)C(=O)OCC)ccc3c2	7119
+CC(C)(C)C1CCC(CC1)=Cc2ccc3cc(ccc3c2)CN4CCC(CC4)C(O)=O	3
+CC(C)(C)C1CCC(CC1)=C	2114
+CC(C)(C)C1CCC(CC1)C(NC(CC)c2nnc(-c3cc(ccc3)[N+](=O)[O-])nc2O)=O	68
+CC(C)(C)C1CCC(CC1)NC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl	14
+CC(C)(C)C1CCC(CC1)NC(=O)c2ccc(cc2)Oc3cc4c(cc3Cl)C(C(=O)O)CCO4	3
+CC(C)(C)C1CCC(CC1)Oc2cccc3cc(ccc23)C=O	1669
+CC(C)(C)C1CCC(CC1)Oc2ccc3c(c2)ccc(c3)CNC45CCC(CC4)(C(C5)O)C(=O)O	3
+CC(C)(C)C1CCC(CC1)Oc2ccc3cc(ccc3c2)CNCCC(=O)NS(=O)(=O)C	42
+CC(C)(C)C1CCC(CC1)Oc2ccc3c(ccc(c3)C=O)c2	146
+CC(C)(C)C1CCC(CC1)Oc2cccc3cc(ccc23)CNC4C(C)(C)C(C4)C(=O)OCC	42
+CC(C)(C)C1CCC(CC1)Oc2cccc3cc(CNC4C(C)(C)C(C(O)=O)C4)ccc23	3
+CC(C)(C)C1CCC2(CC1)CC(CN)(CO2)O	51
+CC(C)(C)C1CCN(CC1)CCCNC(Nc2cc(N3C(=C(C)NC(C)=C3C(OC)=O)C(OC)=O)ccc2)=S	1167
+CC(C)(C)C1CCc2c(cc3c(n2)sc(c3)C(NC(c4cccc(Br)c4)CN)=O)C1	18
+CC(C)(C)C1CCc2nc3sc(cc3cc2C1)C(Cl)=O	2115
+CC(C)(C)C1CCc2c(cc3c(n2)sc(C(NC(CN=[N+]=[N-])c4cc(ccc4)Br)=O)c3)C1	1256
+CC(C)(C)C1Cc2c(cc(c(OCc3ccccc3)c2)OC)C4CC(=O)C(=CN14)C(=O)OCC	2745
+CC(C)(C)C1N2C(c3cc(OC)c(OCc4ccccc4)cc3C1)=CC(=O)C(C(OCC)=O)=C2	2746
+CC(C)(C)C1Cc2c(C3=CC(=O)C(C(OCC)=O)=CN13)cc(c(c2)O)OC	16
+CC(C)(C)C1OCCC(=O)C1	86
+CC(C)(C)c1nc(c2cc(I)ccc2n1)O	4046
+CC(C)(C)C1CC(=O)C1(Cl)Cl	2747
+CC(C)(C)C(c1ccc(cc1[N+](=O)[O-])I)O	7120
+CC(C)(C)Cc1nnc(-c2ccc(cc2)[N+](=O)[O-])o1	877
+CC(C)(C)CC(=O)Nc1c(C)c2c(OCC2c3ccc(cc3)C(C)(C)O)c(c1C)C	1033
+CC(C)(C)CC(=O)Nc1c(c(c2c(C(CO2)c3ccc(cc3)C=O)c1C)C)C	494
+CC(C)(C)CC(=O)Nc1c(c(c2c(C(c3ccc(c(OCC(OCC)=O)c3)C(C)C)CO2)c1C)C)C	52
+CC(C)(C)CC(=O)Nc1c(c(c2c(C(c3ccc(cc3)C(C)O)CO2)c1C)C)C	449
+CC(C)(C)CC(=O)Nc1c(c(c2c(C(c3ccc(c(OCCO)c3)C(C)C)CO2)c1C)C)C	44
+CC(C)(C)CC(=O)Nc1c(C)c2C(COc2c(c1C)C)c3ccc(cc3)C(C)=O	155
+CC(C)(C)CC(=O)Nc1c(c(C)c2c(c1C)C(CO2)c3cc(O)c(cc3)C(C)C)C	5
+CC(C)(C)CC(=O)Nc1c(c2c(OCC2c3ccc(c(OC)c3)C(C)=O)c(c1C)C)C	94
+CC(C)(C)CC(=O)Nc1c(c(c2c(c1C)C(CO2)c3cc(OC)c(C(C)C)cc3)C)C	1382
+CC(C)(C)CC(=O)Nc1c(c2c(OCC2c3ccc(C(=C)C)c(OC)c3)c(c1C)C)C	2748
+CC(C)(C)CC(C)(C)c1c(cc2C(CC(Oc2c1)(COc3ccc(cc3)CC(Cl)C(OCC)=O)C)=O)OC(C)=O	1659
+CC(C)(C)CC(C)(C)c1c(cc2C(CC(Oc2c1)(COc3ccc(cc3)CC4SC(=O)NC4=O)C)=O)OC(C)=O	7121
+CC(C)(C)CC(C)(C)c1c(cc2C(CC(Oc2c1)(C)COc3ccc(cc3)N)=O)OC(C)=O	0
+CC(C)(C)Cc1nc2c(ccc(S(=O)(=O)C(C)C)c2)n1CC3CC3	849
+CC(C)(C)CC(Nc1c(C)cccc1C)=O	26
+CC(C)(C)CC(=O)N1CCC2(CCN(c3ccc(cc3)CC(F)(F)F)C2=O)CC1=O	4047
+CC(C)(C)CC(=O)N1CCC2(C(N(CC2)c3ccc(cc3)OC(F)(F)F)=O)CC1=O	4047
+FC(F)(F)c1cc(Br)cc(Cl)c1NC(=O)CC(C)(C)C	26
+CC(C)(C)CC(Nc1c(cc(cc1OC)Br)OC)=O	26
+CC(C)(C)CC(Nc1ccc2c(c1)cc(C(=O)OCC)n2-c3ccccc3)=O	26
+CC(C)(C)CC(=O)NNC(c1ccc(cc1)[N+](=O)[O-])=O	1086
+FC(F)(F)c1ccc(cc1)CNc2ccc(C)c(c2C)NC(=O)CC(C)(C)C	208
+CC(C)(C)CC(Nc1c(C)c(N)ccc1C)=O	0
+CC(C)(C)CC(Nc1c(C)ccc([N+]([O-])=O)c1C)=O	77
+CC(C)(C)CC(=O)Nc1c(OC)cc(cc1OC)N2CCc3c(C2)cccc3	79
+CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(n2-c3ccccc3)C(Nc4ccc(cc4)NC(OC(C)(C)C)=O)=O	187
+CC(C)(C)CC(Nc1cc2cc(n(-c3ccccc3)c2cc1)C(=O)O)=O	6
+CC(C)(C)CC(c1ccc(cc1)S)=O	3960
+CC(C)(C)CCc1ccc(cc1)S	165
+CC(C)(C)CC1C(c2cnc(Cl)cc2)(C(C(C(O)=O)N1)c3cccc(Cl)c3)C#N	32
+CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O	9
+CC(C)(C)CC1NC(C(c2cccc(Cl)c2F)C13c4cc(F)c(Cl)cc4NC3=O)C(=O)Nc5ccc(cc5OC)C#N	33
+CC(C)(C)CC1NC(C(C12c3c(cc(cc3)Cl)NC2=O)c4cc(Cl)cc(c4)F)C(Nc5c(cc(cc5)C#N)OC)=O	33
+CC(C)(C)CC1NC(C(C12c3c(cc(cc3)Cl)NC2=O)c4cc(Cl)cc(c4)F)C(Nc5ccc(C(N)=O)cc5OC)=O	216
+CC(C)(C)CC1NC(C(NCCC(O)CO)=O)C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3	265
+CC(C)(C)CC1NC(C(Nc2c(cc(C(N)=O)cc2)OC)=O)C(c3cccc(Cl)c3F)C14c5cc(F)c(Cl)cc5NC4=O	216
+CC(C)(C)CCn1c2CCCC(=O)c2c3ccc(cc13)OC	339
+CC(C)(C)CCC(=O)N1CCN(CC1)c2cc(ccn2)C(NO)=N	181
+CC(C)(C)CCC(N1CC(Oc2c(cccc2)Cl)=CC1=O)C(O)=O	4
+CC(C)(C)CCC(C(Nc1ccn(CC(CO)O)n1)=O)N2CC(Oc3c(cccc3)Cl)=CC2=O	265
+CC(C)(C)CCC(N1CC(Oc2c(cccc2)Cl)=CC1=O)C(Nc3ccn(CC4OC(C)(C)OC4)n3)=O	142
+CC(C)(C)CCCNCc1ccc(Oc2ncc(C(=O)N)nc2)c(OC)c1	42
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C	2749
+CC(C)(C)CCNC(Nc1cc(c(Br)cc1F)-c2c(nc3c(cnc(SC)n3)c2)C)=O	2749
+CC(C)(C)CCNC(Nc1c(F)cc(c(c1)-c2c(nc3cc(NC)ncc3c2)C)F)=O	2749
+CC(C)(C)CCN1C(=O)C(C=2NS(=O)(=O)c3c(ccc(NS(=O)(=O)C=C)c3)N=2)=C(C(=N1)c4cccs4)O	7122
+CC(C)(C)CCN1C(=O)C(C2=Nc3c(S(=O)(=O)N2)cc(cc3)N)=C(C(=N1)c4cccs4)O	7123
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C	9
+CC(C)(C)CCN1CCC(CC1)C(=O)O	3
+CC(C)(C)CCN1CCN(CC1)C(=O)CCc2c(cc(C(=O)N3CCc4c([nH]c(C)n4)-c5ccccc35)cc2)C	610
+CC(C)(C)CCN1CCN(CC1)C(=O)CCc2ccc(C(=O)O)cc2C	1
+CC(C)(C)CCN1C(C(=C(C(=N1)c2cccs2)O)C3=NS(=O)(=O)c4c(N3)ccc([N+](=O)[O-])c4)=O	7124
+CC(C)(C)CCNC(C(CC(O)C(NC(=O)c1cc(O)cc(N2CCCC2=O)c1)Cc3ccccc3)C)=O	14
+CC(C)(C)CCNC(N(N=O)CCCl)=O	7125
+CC(C)(C)CCNC(Nc1c(F)cc(C)c(c1)-c2c(nc3c(cnc(N)n3)c2)C)=O	4048
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(nc3cc(N)ncc3c2)C)c1)F)=O	1670
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(C)nc3c(cnc(NC(C)=O)c3)c2)c1)F)=O	7126
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(nc3cc(NC(OC(=C)C)=O)ncc3c2)C)c1)F)=O	7127
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(nc3c(c2)cnc(c3)NC(=O)N(C)C)C)c1)F)=O	7128
+CC(C)(C)CCNC(Nc1cc(-c2cc3cnc(NC)nc3nc2C)c(Br)cc1F)=O	785
+CC(C)(C)CCc1c(OCc2cccc(C(CC(=O)O)C3CC3)c2)ccc(-c4cc(ccc4F)OC)c1	3
+CC(C)(C)Cn1c2c(cc(OCC=C)cc2)cc1	557
+CC(C)(C)COc1cnc(cc1)Cl	788
+CC(C)(C)COc1ccc(cc1)N2C(C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)N=C2CC)=O	116
+CC(C)(C)OC(NC(C(O)CC(C)C(=O)NCC(C)(C)C)CN1CC(=O)N(CC1(C)C)c2cc(F)ccc2Cl)=O	248
+CC(C)(C)OC(NC(CN1C(C)(C)CN(C(C1)=O)c2c(C)cccc2)C(CC(CC)C(NCC(C)(C)C)=O)O)=O	248
+CC(C)(C)CNCc1cc2c(cc1)n(CC3N(CCC3)C(=O)CC#N)c(NC(c4sc(C(F)F)cc4)=O)n2	42
+CC(C)(C)CNS(=O)(=O)c1c(ccc(Oc2c(C)cc(cc2C)[N+]([O-])=O)c1)OCc3ccccc3	71
+CC(C)(C)CNC(=S)Nc1cccnc1	7129
+c1cc(ccc1)C(c2ccccc2)(CNC(OC(C)(C)C)=O)CNCC(C)(C)C	110
+CC(C)(C)CN(c1c([N+](=O)[O-])c(ncn1)Nc2c(C)ccc(C(NC)=O)c2)C	73
+CC(C)(C)CN(C)c1c(c(ncn1)Nc2cc(C(NC)=O)ccc2C)NC(=O)C	1616
+CC(C)(C)CN(C)c1ncnc(Nc2cc(C(NC)=O)ccc2C)c1N	193
+CC(C)(C)CN1c2c(C(c3c4c(ccc3)cccc4)SC(C1=O)CC#N)cc(cc2)Cl	143
+CC(C)(C)CN1C(=O)C(OC(c2cc(Cl)ccc12)c3cccc(c3OC)OC)CC#N	143
+CC(C)(C)CN1c2ccccc2CN(C(CC(=O)NCc3c(F)cccc3)C1=O)C(C4=CC([N+](=O)C=C4)=C=[N-])=O	7130
+CC(C)(C)CN1c2ccc(Cl)cc2C(c3cccc(c3OC)OC)OC(C1=O)Cc4noc(CCCCC(=O)OC)n4	2750
+CC(C)(C)CN1C(=O)C(OC(c2c1ccc(Cl)c2)c3cccc(c3OC)OC)CC(NO)=N	409
+CC(C)(C)CN1C(=O)C(CC(=O)N)SC(c2c3c(ccc2)cccc3)c4cc(ccc14)Cl	83
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3cc(CC#N)ccc3C)n2)=O	163
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3cc(ccc3C)CCN)n2)=O	51
+CC(C)(C)CN1C(N(C)c2nc(-c3c(C)ccc(CO)c3)ccc12)=O	88
+CC(C)(C)CN1C(N(C)c2nc(-c3c(ccc(c3)COC)C)ccc12)=O	49
+CC(C)(C)CN1C(=O)N(C)C(=O)C=C1N	3996
+CC(C)(C)CN1C(=O)C(CC(N)=O)OC(c2cccc(c2OC)OC)c3c1ccc(Cl)c3	83
+CC(C)(C)CN1c2ccc(cc2C(SC(Cc3nnn[nH]3)C1=O)c4cccc5ccccc45)Cl	4049
+CC(C)(C)CN1C(=O)C(N(Cc2ccccc12)C(=O)c3cc[n+](cc3)[O-])CC(=O)NCc4c(F)cccc4	103
+CC(C)(C)CN1c2c(CN(C(CC(=O)NCc3c(F)cccc3)C1=O)C(c4ccnc(C#N)c4)=O)cccc2	7131
+CC(C)(C)CN(C)c1ncnc(Cl)c1[N+]([O-])=O	54
+CC(C)(C)CN1C(N)=CC(NC1=O)=O	7132
+CC(C)(C)CNC(c1ccc(-c2cc(C(=O)NCC(O)C)cc(F)c2C)c(C(=O)N)c1)=O	14
+CC(C)(C)CNC(=O)c1cc(C(N)=O)c(-c2c(c(cc(c2)C(=O)O)F)C)cc1	153
+CC(C)(C)CN1C(N(c2cccnc2)C(=O)C1=O)=S	7133
+CC(C)(C)CNC(=O)c1cc(c(cc1)-c2cc(C(OC(C)(C)C)=O)cc(F)c2C)C(N)=O	169
+CC(C)(C)CNCc1cc2c(cc1)n(c(NC(c3sc(C(F)F)cc3)=O)n2)CC4CCCN4C(=O)C(=CC(C)C)C#N	847
+CC(C)(C)CNS(=O)(=O)c1c(ccc(Oc2c(cc(cc2C)N)C)c1)OCc3ccccc3	0
+CC(C)(C)CNc1c(cnc(n1)C#N)C#CCN2Cc3ccccc3CC2	7134
+CC(C)(C)COC(c1cc(c(N2CCC(CC2)C(=O)OC(C)(C)C)nc1C)C#N)=O	342
+CC(C)(C)COS(=O)(=O)c1c(C)ccc(c1)[N+]([O-])=O	1226
+CC(C)(C)COC(NC1CN(CC1)c2nc(-c3c(cccc3)O)nc4c2ccc(c4)C)=O	101
+CC(C)(C)COC(c1cc(C#N)c(nc1C)N2CCC(CC2)C(=O)O)=O	32
+CC(C)(C)COS(=O)(=O)c1cc([N+]([O-])=O)ccc1C=Cc2ccc(cc2)[N+](=O)[O-]	1265
+CC(C)(C)COS(=O)(=O)c1c(CP(OCC)(OCC)=O)ccc(c1)[N+](=O)[O-]	590
+CC(C)(C)COc1ccc(cc1)N2C(=O)C(=C(CCC)N=C2CC)Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4	1671
+CC(C)(C)COc1cnc(cc1)NN	383
+CC(C)(C)COc1cnc(N2NC=C(C2=O)n3nncc3)cc1	4050
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3nc(CC(C)(C)C)c(cc3)-c4cc(OC)ccc4F	7135
+CC(C)(C)Cc1nc(CCl)ccc1-c2cc(OC)ccc2F	3961
+CC(C)(C)OC(=O)NCc1c(c(CO)c(nc1CC(C)(C)C)C)-c2ccc(cc2)C	2751
+CC(C)(C)Cc1c(ccc(n1)COc2cccc(c2)C(CC(=O)O)C3CC3)-c4cc(OC)ccc4F	4
+CC(C)(C)Cc1cn(cn1)S(=O)(=O)N(C)C	2752
+CC(C)(C)Cc1ccc(c(Br)c1)CC(C)C(=O)Cl	130
+CC(C)(C)Cc1ccc2C(=O)c3ccccc3C(c2c1)=O	358
+CC(C)(C)Cc1ccc(cc1)C(c2ccccc2C(=O)O)=O	1943
+CC(C)(C)Cc1cn(c(n1)C=O)S(=O)(=O)N(C)C	1378
+CC(C)(C)Cc1c2c(oc1)cc(O)cc2	5
+CC(C)(C)Cc1n(c2c(cc(C(O)=O)cc2)n1)CC3CC3	1
+CC(C)(C)Cc1n(c2ccc(cc2n1)CO)CC3CC3	49
+CC(C)(C)Cc1nc2c(ccc(CCl)c2)n1CC3CC3	229
+CC(C)(C)Cc1nc(C2(CC2)N)cs1	7136
+CC(C)(C)OC(NC(Cc1cc(F)cc(F)c1)C(O)CNC2(CC2)c3csc(n3)CC(C)(C)C)=O	122
+CC(C)(C)Cc1nc(COc2cc(cc(CCC(=O)O)c2)OC)ccc1-c3cc(ccc3F)OC	3
+CC(C)(C)Cc1c(C#N)c(c(CO)c(n1)C)-c2ccc(cc2)C	4051
+CC(C)(C)Cc1nc(ccc1-c2cc(ccc2F)OC)COc3c(F)ccc(C(CC(=O)O)C4CC4)c3	4
+CC(C)(C)Cc1nc2cc(ccc2n1CC3CC3)CSC(C)C	1672
+CC(C)(C)Cc1onc(c1)-c2onc(c2C3CC3)C(CCCO)CC(Nc4ccc(Cl)cc4Cl)=O	118
+CC(C)(C)Cc1onc(c1)-c2c(c(C(CCCOCc3ccccc3)CC(Nc4ccc(Cl)cc4Cl)=O)no2)C5CC5	33
+CC(C)(C)Cc1onc(c1)-c2c(C3CC3)c(no2)C(CC(Nc4ccc(Cl)cc4Cl)=O)CCC(O)=O	4052
+CC(C)(C)c1cc2ccc3cccc4ccc(c1)c2c34	2753
+CC(C)(C)c1ccc(cc1)NC(=O)C	2753
+CC(C)(C)Cn1ccc2c(CC=C)c(ccc12)O	4053
+CC(C)(C)Cn1c(nc2cnc(C#N)nc12)C	738
+CC(C)(C)Cn1ccc2c(CCC)c(ccc12)O	732
+CC(C)(C)c1cc(c(c(S(=O)(=O)NC(C)(C)C)c1)OC)[N+](=O)[O-]	71
+CC1(C)OB(OC1(C)C)c2c3c(ccc2CNC(C)(C)C)cccc3	370
+CC(C)(C)Nc1nc(SC)ncc1C(OCC)=O	40
+C[Si](C)(C)CCOCn1c2nc(C)c(Br)nc2c(c1)C(NC(C)(C)C)=O	484
+C[Si](C)(C)CCOCn1c2ncc(nc2c(C(NC(C)(C)C)=O)c1)Br	484
+CC(C)(C)Nc1nc2c(-c3[nH]c4CCNC(c4c3)=O)cccc2nc1C	3726
+CC(C)(C)Nc1nc(c(cc1F)C#N)Cl	70
+CC(C)(C)Nc1nc(c(cn1)Br)SC	96
+CC(C)(C)Nc1cc(C(F)(F)F)c([N+]([O-])=O)cc1	60
+CC(C)(C)NC=1C(C(=O)C=1OCC)=O	7137
+CC(C)(C)NCC(O)COc1ccccc1-c2ccc(nn2)Cl	122
+CC(C)(C)NCc1c(cc(cc1)-c2cnc3ccc(nn23)NCCCC)F	42
+CC(C)(C)NC(=O)CC1CCN(CC1)c2nc(ccc2NC(=O)c3cc(Cl)ccc3)S(=O)(=O)C	9
+CC(C)(C)NS(=O)(=O)c1cc(S(=O)(=O)Cl)ccc1	71
+CC(C)(C)NS(=O)(=O)c1cc(Br)cnc1N	1362
+CC(C)(C)NS(=O)(=O)c1cn(C)c(C(OC)=O)c1	1362
+CC(C)(C)NC(c1cncc(c1)Oc2c(cc(cc2)[N+](=O)[O-])Cl)=O	56
+CC(C)(C)NC(=O)C(c1cn(c(C(Nc2cc(c(F)cc2)C)=O)c1)C)=O	2754
+CC(C)(C)Nc1nc(cc2ccnc(O)c12)Cl	4054
+CC(C)(C)Nc1ncccc1C(=O)Nc2c(Nc3cccc(c3F)F)ccnc2	182
+CC(C)(C)NC1=C(C(=O)C1=O)Nc2c(C)cccc2O	993
+CC(C)(C)Nc1n(c2c(cc(c(c2)Cl)Cl)n1)C3CC(CO)C(O)C3O	7138
+CC(C)(C)Nc1nc(nc(Cl)c1)N	40
+CC(C)(C)NC=1N(CC)C(=O)c2cccc(Br)c2N=1	7139
+CC(C)(C)NC(c1cc(-c2ncc(C)cc2)n(-c3cccnc3)n1)=O	81
+CC(C)(C)Nc1ccc(cc1[N+]([O-])=O)Br	60
+CC(C)(C)Nc1cc(Br)ccc1[N+]([O-])=O	60
+CC(C)(C)NC(=O)c1cc(CCl)ccc1	93
+CC(C)(C)NC(=O)c1ncc(cc1)O	81
+CC(C)(C)NC(=O)C(CC)Oc1ccc2ncc(Br)cc2c1	9
+CC(C)(C)NC(=O)c1cnn2ccc(nc12)N3CCCC3c4cc(ccc4F)F	1339
+CC(C)(C)Nc1cc(nc(Cl)n1)-c2ccccc2	40
+CC(C)(C)Nc1ccccc1	250
+CC(C)(C)NCC(O)COc1ccc2c(C(=O)C=C(c3cc(c(cc3)OCc4ccccc4)OCc5ccccc5)O2)c1	122
+c1cc(ccc1)COc2cc(cc(OCc3ccccc3)c2)C4=CC(c5c(O4)cc(cc5)OCC(O)CNC(C)(C)C)=O	122
+CC(C)(C)NCC(COc1ccc(cc1)C2(C(N(C)c3c(S2)cccc3)=O)C#N)O	122
+CC(C)(C)Nc1ccc(cc1)[N+](=O)[O-]	60
+CC(C)(C)NC(=O)C1(CCC1)c2cc3c(nc(nc3C(N4Cc5ccccc5C4)=O)N)cc2	9
+CC(C)(C)NCCCOc1c(cccc1)C(C)=O	284
+CC(C)(C)NC(=O)c1c(N)c2c(nc(-c3ccccc3)nc2-c4cccc(N)c4)s1	227
+c1ccccc1C(c2ccccc2)N3CCN(CC3)C(C4C(CNC(C)(C)C)C4)=O	110
+CC(C)(C)N(C(=O)C(OCC)=O)CCCCCC=O	24
+CC(C)(C)N(C(=O)C(OCC)=O)CCCCCC#C	1596
+CC(C)(C)N1C(C(=C(S1(=O)=O)c2ccccc2)NCCCOc3cnccc3)=O	458
+CC(C)(C)N1C(C(C(=O)NCC(=O)O)C(=O)N(Cc2c(cccc2)Br)C1=O)=O	3
+CC(C)(C)N1N=CC(=C(CO)C1=O)Cl	7140
+CC(C)(C)N1N=CC(=C(Cl)C1=O)OCc2ccc(cc2)OCC(O)C	7141
+CC(C)(C)N1C(C(=C(S1(=O)=O)c2ccccc2)NCCCOc3ccc[n+]([O-])c3)=O	103
+CC(C)(C)N1C(N(C2CCN(CC2)Cc3cnc(cc3)Oc4ccc(cc4)-c5[nH]nnn5)C(C1)c6ccccc6)=O	424
+CC(C)(C)N1C=C(C(=O)c2cc(I)ccc12)C(NCc3ccc(cc3)Cl)=O	1267
+CC(C)(C)N1CC(C1)Oc2cc(C)nc3c(c(nn23)-c4ccccc4Cl)-c5ccc(cc5)Cl	4055
+CC(C)(C)NCC(COc1ccc(cc1)N)O	7142
+CC(C)(C)N1CC(C1)O	118
+CC(C)(C)N1C(N(C2CCN(CC2)Cc3cnc(cc3)Oc4ccc(cc4)C#N)C(C1)c5ccccc5)=O	619
+CC(C)(C)N1CCC(CC1)NCc2ccccc2	87
+CC(C)(C)N1CCC(CC1)N	273
+CC(C)(C)N1N=CC(Cl)=C(C1=O)CO[Si](C)(C)C(C)(C)C	947
+CC(C)(C)c1ccc(cc1)CSC2=C(CO)C(=O)N(N=C2)C(C)(C)C	2755
+CC(C)(C)N1N=CC(=C(CO[Si](C)(C)C(C)(C)C)C1=O)SCc2ccc(cc2)C(C)(C)C	7143
+CC(C)(C)N1c2ccc(CCCO)cc2C(=O)C(C(NCc3ccc(cc3)Cl)=O)=C1	213
+CC(C)(C)N1C(CC(N(C1=O)Cc2c(Br)cccc2)=O)=O	1984
+FC(F)(F)c1ccc(cc1)C2N(C(=O)NC(C)(C)C)CCc3c2cccc3OC	384
+CC(C)(C)NC(N1CCn2c(c(-c3ccccc3)c(C#N)c2C1)Cl)=O	384
+CC(C)(C)NC(=O)Oc1ccc(cc1)CCOc2ccc(cc2)C=O	1890
+CC(C)(C)NC(=S)N1CCC(CC1)OC(c2ccccc2Cl)c3ccc(cc3)Cl	1383
+CC1(C)C(C)(C)OB(O1)CCCCC(NC(=O)C)(C(NC(C)(C)C)=O)C2CCN(CC2)C(=O)OCc3ccccc3	7144
+CC(C)(C)NC(CN1C(c2cc(ccc2C=C1c3cc(c(F)cc3)OC)O)=O)=O	686
+CC(C)(C)NC(=O)Oc1ccc(cc1)CCOc2ccc(cc2)CC3SC(NC3=O)=O	534
+CC(C)(C)NC(=O)Oc1ccc(cc1)CCOc2ccc(cc2)C=C3C(NC(=O)S3)=O	377
+CC(C)(C)NC(c1sc2c(c1N)c(nc(n2)-c3ccccc3)-c4cc(ccc4)NC(Oc5ccc(cc5)[N+](=O)[O-])=O)=O	90
+CC(C)(C)NC(c1cc(CN2C(C)(C)CN(C(=O)c3ccc(N)c(c3)F)CC2)ccc1)=O	171
+CC(C)(C)NC(c1c(cc(nc1)Cl)-c2ccccc2C)=O	4056
+CC(C)(C)NC(=O)c1ncc(Oc2ccc(Nc3c4n(CCOC(c5ccccc5)=O)ccc4ncn3)cc2Cl)cc1	1190
+CC(C)(C)NC(=O)c1ncc(Oc2ccc(Nc3ncnc4c3n(CCO)cc4)cc2Cl)cc1	682
+CC(C)(C)NC(=O)c1ncc(Oc2ccc(N)cc2Cl)cc1	0
+CC(C)(C)NC(=O)c1ncc(Oc2ccc(cc2Cl)[N+](=O)[O-])cc1	551
+CC(C)(C)NC(=O)c1n2CCNCc2nn1	4057
+CC(C)(C)NC(C1(CCNCC1)C2CCCCC2)=O	62
+CC(C)(C)NC(=O)C1(CCN(CC1)C(C2C(CC(=C)C2)c3ccc(F)cc3F)=O)C4CCCCC4	10
+CC(C)(C)NC(CCC(N1CCC(CC1)N2c3c(cccc3)CCc4ccccc24)=O)=O	10
+CC(C)(C)NC(CN1C(c2c(C)c(C(=O)OC)sc2N=C1)=O)=O	3917
+CC(C)(C)NC(CN1C(=O)C(N)CC(c2ccccc2)c3c1cccc3)=O	1584
+CC(C)(C)NC(=O)CN1C(C(CC(c2c1cccc2)c3ccccc3)NC(=O)Nc4cccc(C)c4)=O	1631
+CC(C)(C)NC(CN1C(=O)C(CC(c2ccccc12)c3ccccc3)N=[N+]=[N-])=O	4058
+CC(C)(C)NC(CN1C(=O)c2c(C)c(C(O)=O)sc2N=C1)=O	1
+CC(C)(C)NC(Cn1cnc(c1CN)C)=O	18
+CC(C)(C)NC(N1Cc2n(CC1)c(Cl)c(-c3ccccc3)c2C(=O)N)=O	745
+CC(C)(C)NC(N1Cc2n(cc(-c3ccccc3)c2C(N)=O)CC1)=O	1866
+CC(C)(C)NC(c1cncc(c1)Oc2c(cc(N)cc2)Cl)=O	0
+CC(C)(C)NC(c1sc2c(c(nc(n2)-c3ccccc3)-c4cc(ccc4)NC(=O)N(C)C)c1N)=O	468
+FC(F)(F)c1cccc(CNC=2C(C(=O)C=2NC(C)(C)C)=O)c1	993
+CC(C)(C)NC1=Nc2c(cccc2-c3cc4C(NC(c4[nH]3)C)=O)C(=O)N1CC	7145
+CC(C)(C)NCC(O)COc1c(C2=NNC(=O)CC2)ccc(c1)C	2756
+CC(C)(C)NCC(O)COc1cc2C(C=C(Oc2cc1)c3cc(c(cc3)O)O)=O	16
+CC(C)(C)NCC(O)COc1c(C=2CCC(=O)NN=2)cc(cc1)OC	2756
+CC(C)(C)NCC(O)COc1ccc(cc1C2=NNC(=O)CC2)NC(C)=O	2756
+CC(C)(C)NCC(COc1ccc2c(c1)C(C=C(c3ccc(c(c3)OCc4ccccc4)O)O2)=O)O	16
+CC(C)(C)NCCCOc1c(C(=O)C=Cc2c3cc[nH]c3ccc2)cccc1	307
+CC(C)(C)n1nc(CCCO)cc1-c2ccc(cc2)Cl	2514
+CC(C)(C)n1nc(cc1-c2ccc(cc2)F)C(OCC)=O	2054
+CC(C)(C)n1nc(-c2ccncc2)c3CC(C(OC)=O)CCc13	7146
+CC(C)(C)NNC(=O)c1ccccc1	1798
+CC(C)(C)N(C(c1ccncc1)=O)NC(=O)c2ccccc2	7147
+c1cc(ccc1CC2=C(CCCC)N=C(N(c3ncc(cn3)OC)C2=O)C)-c4c(cccc4)S(=O)(=O)N	627
+c1cc(ccc1-c2c(cccc2)S(=O)(=O)N)CN3C(=O)N(N=C3CCCC)c4c(Cl)cccc4	627
+c1cc(ccc1-c2c(cccc2)S(=O)(=O)N)CN3C(=O)N(N=C3CCCC)c4c(ccc(C(=O)OC)c4)Cl	627
+O=S(=O)(c1c(C(OC)=O)ccc(CCNC(=O)OC)c1)N	627
+O=S(=O)(c1c(C)nc(NC(C)=O)s1)N	627
+O=S(=O)(N)c1c(OC)cccc1I	627
+CC(C)(C)NS(=O)(=O)c1c(ccc(CC#N)c1)OC	163
+CC(C)(C)NS(=O)(=O)c1c(cc(CC(C)C)s1)-c2cc(ccc2)Cn3nccc3	309
+CC(C)Cc1sc(S(=O)(=O)NC(OCCCC)=O)c(-c2cc(ccc2)Cn3nccc3)c1	7148
+c1cc(ccc1-c2c(S(=O)(=O)N)sc(c2)CCCC)Cn3ccnc3	627
+CC(C)(C)NS(=O)(=O)c1c(cc(CCCC)s1)-c2ccc(cc2)Cn3ccnc3	1384
+O=S(=O)(N)c1cc(ccc1OC)CC#N	627
+CC(C)(C)NS(=O)(=O)c1cc(ccc1S(=O)(=O)CC)NC=O	753
+CC(C)(C)NS(=O)(=O)c1c(ccc(N)c1)S(=O)(=O)CC	0
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)CNCCCC	370
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CN3C(=O)N(N=C3CCCC)c4c(ccc(C(=O)OC)c4)Cl)cccc1	4059
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CN3C(=O)N(N=C3CCCC)c4c(Cl)cccc4)cccc1	7149
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CN3C(CCCC)=NN(c4c(Cl)ccc([N+](=O)[O-])c4)C3=O)cccc1	4059
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)CN(CCCC)C(Cl)=O	2703
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)NCc3cnc(C)c(O)c3CO	7150
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)NCc3c(CO)c(OCc4cc(ccc4)C#N)c(nc3)C	483
+CC(C)(C)NS(=O)(=O)c1cccc2c(NCCCN)nsc12	4060
+CC(C)(C)NS(=O)(=O)c1cccc(c1)-c2ncn(-c3nc(-c4ccc(c(c4)Cl)Cl)cc(C)n3)c2	7151
+CC(C)(C)NS(=O)(=O)c1c(C(OC)=O)ccc(CCN)c1	51
+O=S(=O)(CC)c1ccc(cc1S(=O)(=O)N)NC=O	627
+O=S(=O)(N)c1cc(Br)cn2c1nc(C)c2	627
+O=S(=O)(c1cc(-c2c3cccc(c3c(NCc4ccccn4)nn2)-c5ccccc5)cnc1)N	627
+O=S(=O)(c1cccc(-c2ncn(-c3nc(-c4ccc(c(c4)Cl)Cl)cc(C)n3)c2)c1)N	627
+CC(C)(C)NS(=O)(=O)c1cccc2c(NCCCNC(=O)c3ccc(cc3)I)nsc12	14
+CC(C)(C)NS(=O)(=O)c1cccc2c(nsc12)NCCCNC(c3ccc(cc3)-c4ccc(cc4)OC)=O	134
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)NCc3c4c(OC(C)(C)OC4)c(nc3)C	2116
+CC(C)(C)NS(=O)(=O)c1ccccc1-c2ccc(-c3ncc(nc3)N)c(c2OC)F	11
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CC3=C(CCCC)N=C(N(c4ncc(cn4)OC)C3=O)C)cccc1	11
+O=S(=O)(N)c1c([Se]C)cccc1	627
+CC(C)(C)NS(=O)(=O)c1cn(C)c(c1)C(=O)Nc2cc(c(cc2)F)C#N	2337
+CC(C)(C)NS(=O)(=O)c1c[nH]cc1	4061
+CC(C)(C)Nc1ncc2CCC3N(CC(C(=O)OC)CC3)C(=O)c2c1	174
+CC(C)(C)n1c2c(cc(-c3cnc(nc3)N)cc2)nc1-c4c(ccc(Cl)c4)-n5nc(cc5)C	1301
+CC(C)(C)n1c2c(nc1-c3c(ccc(Cl)c3)-c4nc(C)no4)cc(-c5cnc(nc5)N)cc2	1301
+CC(C)(C)Nc1c(N)cc(cc1)-c2cnc(nc2)N	0
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3cc(ncn3)OC4CCNCC4	2
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3ncnc(OC4CCN(CC4)C(=O)OC(C)(C)C)c3	346
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(Nc3cc(-c4c[nH]nc4C(F)(F)F)ncn3)n1	346
+CC(C)(C)Nc1c(N)ccc(Br)c1	0
+CC(C)(C)Nc1cc(nc(Nc2ccc(cc2)C3(CCC3)c4ncco4)n1)-c5ccccc5	55
+CC(C)(C)n1c2c(nc1-c3c(C#N)cccc3)cc(cc2)Br	1301
+C[Si](C)(C)C#Cc1c(ccc([N+](=O)[O-])c1)NC(C)(C)C	263
+CC(C)(C)Nc1c([N+]([O-])=O)cc(-c2cnc(nc2)N)cc1	1629
+CC(C)(C)N(N=O)c1ccccc1	2708
+CC(C)(C)Nc1c(F)cc(c(N)n1)C#N	4062
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3ncnc(CC)c3	2651
+CC(C)(C)Nc1nc(SC)ncc1C(=O)N	2757
+CC(C)(C)Nc1nc(SC)ncc1C(=O)O	6
+CC(C)(C)Nc1nc(NCc2ccccc2)c(cc1F)C#N	70
+CC(C)(C)Nc1ncc(C#N)c(SC)n1	3635
+CC(C)(C)Nc1nc(S(=O)C)c(C(=O)N)cn1	3634
+CC(C)(C)Nc1cc(nc([n+]1[O-])N)Cl	2758
+CC(C)(C)Nc1nc2c(-c3[nH]c4c(C(NCC4)=O)c3Cl)cccc2nc1C	573
+CC(C)(C)Nc1nc(c(cn1)C(N)=O)SC	2529
+C1(C(OC)=O)CN2C(c3cc(ncc3CCC2CC1)N)=O	2759
+n1c2c(n(c1-c3cccnc3N)-c4cccc(c4F)F)ccnc2	2759
+n1n(c(-c2cccnc2N)nn1)-c3cccc(c3F)F	2759
+CC(C)(C)Nc1ncccc1-c2n(c3ccncc3n2)-c4cccc(F)c4F	7152
+CC(C)(C)OC(=O)N1CC(C(CC1)c2ccc(cc2)F)C(=O)O	1329
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(CC(CO)O)cn2)F)=O	2760
+CC(C)(C)OC(=O)C(NC(OC(C)(C)C)=O)CCC(OCc1ccccc1)=O	2761
+CC(C)(C)OC(Nc1c(NC(OC(C)(C)C)=O)sc(SC)c1C#N)=O	2724
+CC(C)(C)Oc1cccc(c1C(=O)O)Cl	789
+CC(C)(C)c1nc(C(=O)O)c(Cl)c(N)c1F	4063
+CC(C)(C)c1cc(NC(OC(C)(C)C)=O)cc(C#N)c1	7153
+CC(C)(C)OC(=O)Nc1ccc(nc1)C(C)C	1291
+CC(C)c1n(c2c(ccc(C(OCC)=O)c2)c1C(=O)O)Cc3ncco3	2762
+CC1(C)C(N(c2c(cc(cc2)C(=O)O)N(C)C1=O)CC)=O	789
+CC(C)(C)OC(=O)NCCc1ccc2c(c1)N(C)C(C(C)(C)C(=O)N2CC)=O	1590
+CC1(C)CC(CC(C)(C)N1OCC(C)(C)O)=O	7154
+CC(C)(C)OC(NCCc1cc(Cc2cccnc2)cc(c1)CCC(OCC)=O)=O	1590
+FC(F)(F)C1(CCC2(C(=O)O)C(C1)CCCc3c2cc4cnn(c4c3)-c5ccc(cc5)F)O[Si](CC)(CC)CC	1329
+CC(C)(C)OC(=O)Nc1c(N(C)C)ncc([N+](=O)[O-])c1	1291
+CC(C)(C)OC(=O)Nc1c(C)nn(-c2cnccc2)c1	4064
+CC(C)(C)OC(=O)Nc1c(c(cc(C)c1)Br)F	673
+CC(C)(C)OC(=O)Nc1c(-c2ccccc2C)nc(C)s1	7155
+Clc1cccc(c1)C(O)CO	4065
+CC(C)(C)OC(=O)Nc1ccc(nc1)C(F)(F)Cl	1291
+FC(F)(F)c1cc(C(C)(C)C)ccc1O	957
+FC(F)Oc1c(CC(=O)O)c(C)cc(C)c1	1329
+[N+]([O-])(=O)c1ccccc1-c2n(c3c(cccc3)n2)CC(CO)O	2760
+c1c(c(OC)cc2c1N(C(=O)OC2)C)CC(CO)O	2760
+c1cc(ccc1C(CO)O)Cl	4065
+c1cc(ccc1Cn2c3c(ccc(c3)C(CO)O)cn2)OC	7156
+CC(C)(C)OC(=O)Nc1c(c(c(F)cc1)Cl)Cl	673
+CC(C)(C)OC(Nc1c(c2c(OCCO2)cc1)[N+]([O-])=O)=O	673
+COc1c(C(=O)O)c(C)cc(c1)Br	789
+COc1c(c(F)cc(c1)Br)C(=O)O	789
+c1(F)cc(cc([N+]([O-])=O)c1C(=O)O)Br	789
+c1(C(=O)O)cc(C)c(O)c(Cl)c1	789
+O=S(=O)(c1nccc(C(CC(=O)O)NC(=O)c2cncc3c2cnn3-c4ccc(cc4)F)c1)C	1329
+CC(C)(C)OC(=O)Nc1cc2c(nc1)CCCN2S(=O)(=O)c3cc(ccc3)C	1291
+CC(C)(C)OC(Nc1cc2c(cc1)ccc(c2)S(=O)(=O)C)=O	2117
+CC(C)(C)OC(Nc1c(Oc2cccc(C#N)c2)nc(-c3cnccc3)nc1)=O	4066
+CC(C)(C)OC(=O)Nc1c(c(Cl)ncc1)F	7157
+CC(C)(C)OC(=O)Nc1c(c(ccc1)OC)[N+](=O)[O-]	673
+CC(C)(C)OC(=O)Nc1cnc(nc1Oc2c(cccc2)C)SC	4066
+CC(C)(C)OC(=O)Nc1c2CCCC(=O)c2sc1	4067
+CC(C)(C)OC(=O)Nc1cc2c(CC3(c4c(cccc4)NC3=O)C2)cc1	673
+CC(C)(C)OC(Nc1ncc2c(cn(c2c1)CC)Br)=O	7158
+CC(C)(C)OC(=O)Nc1cc2ccc(cc2cc1)Br	673
+CC(C)(C)OC(Nc1cc(Br)cc(n1)C(OC)=O)=O	1673
+c1(cc(cc(Cl)c1Oc2ccc(c(C(O)=O)c2)OC)[N+](=O)[O-])Cl	789
+CC(C)(C)OC(Nc1cc(F)c(c(c1)F)CSc2n(c(cn2)C(C)(C)c3ccc(Cl)c(OC)c3)-c4ccc(cc4)F)=O	673
+CC(C)(C)OC(=O)Nc1ccc2c(c(OC)ccc2Br)n1	7159
+c12c(C)cccc1c(ccc2C(=O)O)OC	789
+c1c(OC)ccc2c1n(Cc3ncccc3)c(C(=O)OC)c2C(=O)O	2762
+CC(C)(C)OC(=O)Nc1nccc2COCc12	1673
+CC(C)(C)OC(=O)Nc1ccc2c(ccc(C#N)c2)c1	2117
+CC(C)(C)OC(Nc1cc2c(ccc(C(C)=O)c2)cc1)=O	2117
+CC(C)(C)OC(Nc1cc(ccc1)CC2CCCC=C2c3oc(c(-c4ccccc4)n3)-c5ccccc5)=O	7160
+CC(C)(C)OC(Nc1nc(cc(Cl)c1)-c2ccccc2)=O	1673
+CC(C)(C)OC(Nc1cc(C=2C=CC(=O)N(C(C)C)N=2)c(nc1)-c3ccccc3)=O	1291
+CC(C)(C)OC(Nc1c(scc1)-c2ccccc2)=O	4067
+CC(C)(C)OC(NCC(c1cc2cc[nH]c2cc1)c3ccccc3)=O	1590
+CC(C)(C)OC(Nc1cc(c2c(cc(C#N)cc2)c1)OCc3ccccc3)=O	2117
+CC(C)(C)OC(Nc1cc(cc(c1)OCc2ccccc2)OCCCCCCCCCCCCCCCCCC)=O	673
+CC(C)(C)OC(=O)Nc1cc(Cl)c(CSc2ncc(n2-c3ccc(cc3)F)C(C)(C)c4ccc(c(OC)c4)Cl)c(F)c1	673
+CC(C)(C)OC(NCCc1cc(cc(c1)CCC(OCC)=O)Cc2ccc(cc2)F)=O	1590
+CC(C)(C)OC(=O)Nc1ncc(C)c(C(S(=O)(=O)c2ccc(cc2)Cl)c3c(F)ccc(F)c3)c1	1673
+CC(C)(C)OC(=O)Nc1cc(c(c(Cl)c1)CCc2n(-c3ccc(cc3)F)c(C(C)(C)c4cc(c(cc4)Cl)OC)cn2)F	673
+CC(C)(C)OC(NC1CC1c2cccc(C(=O)OC)c2)=O	7161
+CC(C)(C)OC(Nc1sc(cc1)C(=O)c2ccccc2)=O	2724
+CC(C)(C)OC(=O)Nc1nccc(c1)Oc2ccc(NC(=O)OCc3ccccc3)cc2F	1673
+CC(C)(C)OC(=O)Nc1c(cc2c(cc(cc2)OCc3ccccc3)c1)OCc4ccccc4	673
+CC(C)(C)OC(=O)Nc1c(nn(-c2cnccc2)c1)Cl	4064
+c1cc(ccc1-c2c(O)cccc2)-c3c(cc4[nH]cc(C(O)=O)c4c3)F	2762
+c1cc(ccc1-c2nnc(-c3ccccc3[N+](=O)[O-])o2)C(=O)O	789
+c1cc(ccc1Cc2c(c(c(Cl)c(C(O)=O)n2)N)F)F	4063
+c1cc(ccc1F)CCCC(=O)O	1329
+c1cc(ccc1Cl)Sc2sc(C(O)=O)cc2	7162
+CC(C)(C)OC(C(c1ccc(cc1)[N+]([O-])=O)C)=O	2761
+CC(C)(C)OC(=O)C1CNC(=O)N1C(=O)OCc2ccccc2	2761
+n1ccc(cc1O)-n2cc(nc2C)C#Cc3cccc(C)c3	7163
+CC(C)(C)OC(=O)C(Br)CCC(=O)OCc1ccccc1	7164
+CC(C)(C)OC(=O)Cc1cc(F)cc(N)c1[N+]([O-])=O	2763
+CC(C)(C)OC(Cc1cc(c(cc1F)C#N)F)=O	2763
+CC(C)(C)C(C(OC(C)(C)C)=O)NCCNCc1ccccc1	42
+CC(C)(C)OC(=O)C(C(C)C)NCc1c(F)cnc2n(cc(C(O)=O)c12)S(=O)(=O)c3ccc(cc3)C	1528
+CC(C)(C)OC(C(N1C(c2c[nH]c3ncc(c(C1)c23)F)=O)C(C)C)=O	392
+CC(C)(C)OC(=O)C(C(C)C)N1C(=O)c2cn(c3ncc(c(C1)c23)F)S(=O)(=O)c4ccc(cc4)C	7165
+CC(C)(C)OC(=O)C(NS(=O)(=O)c1ccc(cc1)Sc2cccc(C)c2)C(C)C	815
+CC(C)(C)OC(C(CCN1C(N(C(=O)C=C1)C)=O)C(CCc2ccc(cc2)I)OCc3ccc(cc3)OC)=O	7166
+CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1c(c(N)cc(F)c1)[N+]([O-])=O	623
+O=S(=O)(C)c1ccc(C(=O)CC(=O)CC)c(Cl)c1	4068
+CC(C)(C)OC(=O)C(C)(C)Oc1c(cccc1)CC(N)=O	517
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)C=O)=O	517
+CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1CCC(=O)NCCOc2ccc(cc2)Cl	517
+CC(C)(C)OC(C(C)(C)Oc1c(ccc(OC)c1)C(c2ccc(cc2)OCc3ccccc3)=O)=O	517
+c1cc(ccc1CC(C)(C)C(=O)O)CN(CC(=O)Nc2c(C)cc(C)cc2)Cc3ccco3	32
+CC(C)(C)OC(=O)C(C)(C)Cc1ccc(cc1)CN(Cc2occc2)CC(O)=O	3
+CC(C)(C)OC(=O)C(C)(C)Cc1ccc(cc1)CN(CC(=O)Nc2c(C)cc(C)cc2)Cc3ccco3	33
+CC(C)(C)OC(=O)C(C)(C)Cc1ccc(cc1)CN(CC(=O)OCC)Cc2ccco2	303
+CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1CCN	15
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(ccc1)CCCO	21
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(CCC(O)=O)ccc1	3
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(ccc1)CCCN2C(=O)c3ccccc3C2=O	896
+CC(C)(C)OC(=O)C(C)(C)Oc1cccc(CCCN)c1	45
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(CCCOS(=O)(=O)C)ccc1	7
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(CCC(OCC)=O)ccc1	159
+CC(C)(C)OC(C(C)(C)Oc1cccc(CCCNc2oc3c(cccc3)n2)c1)=O	1527
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(O)=O	1
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(OCc2nnn(Cc3ccccc3)c2)=O	47
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(=O)OC(C2=NN(C(=O)N2CCC)Cc3ccc(cc3)C)C	47
+c1cc(ccc1SC(C)(C)C(=O)O)C(OCc2nnn(Cc3ccccc3)c2)=O	32
+c1cc(ccc1[N+](=O)[O-])-c2ccc(cc2)OCCc3nc(sc3)SC(C)(C)C(=O)O	32
+CC(C)(C)OC(=O)C(C)(C)Sc1scc(CCNCCCCCCC)n1	15
+CC(C)(C)OC(=O)C(NC(CO)c1ccc(cc1)C#N)C	7167
+CC(C)(C)OC(=O)C(C)NC(CC(O)C(CC(C)C)NC(=O)OCc1ccccc1)=O	188
+Clc1ccc(C#N)c(C2=CC(=O)N(C(C(=O)O)C)C=C2)c1	32
+c1ccccc1COC(=O)NC(C(CC(=O)NC(C(O)=O)C)O)CC(C)C	32
+CC(C)(C)OC(=O)C(C)ON=C(C(O)=O)c1ccc(c(c1)Cl)O	4069
+c1cc(ccc1)CCN2CCC(C(C(=O)O)CNS(=O)(=O)c3ccc(cc3)OC)(CC(C)C)C2=O	32
+C(C)C=CCC=CCC=CCC=CCC=CCCCCOC(C(O)=O)CC	32
+CC(C)(C)OC(NC(CCCSC(C)=O)C(OC(C)(C)C)=O)=O	2495
+CC(C)(C)OC(=O)C(C(CCc1ccc(cc1)I)OCc2ccc(cc2)OC)CCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)C(CCO)C(CCc1ccc(cc1)I)OCc2ccc(cc2)OC	35
+CC(C)(C)OC(=O)C(C1(CCN(C1=O)CCc2ccccc2)CC(C)C)CNS(=O)(=O)c3ccc(cc3)OC	71
+CC(C)(C)OC(C(NC(OCc1ccccc1)=O)CNC(=O)c2ccc(cc2)CCC(=O)OC)=O	14
+CC(C)(C)OC(C(Cc1c[nH]c2c1cccc2)NC(=O)C(C)NC(OCc3ccccc3)=O)=O	188
+CC(C)(C)OC(=O)C(Cc1ccc(cc1)OCCCC(=O)OCC)NC(OCc2ccccc2)=O	8
+c1ccccc1COC(NC(C(=O)O)Cc2ccc(cc2)OCCCC(=O)NC3=NCCN3)=O	32
+CC(C)(C)OC(=O)C(Cc1ccc(cc1)OCCCC(=O)NC2=NCCN2)NC(OCc3ccccc3)=O	7168
+CC(C)(C)OC(=O)C(Cc1oc(C(Nc2ccccc2)=O)cc1)C(O)C	770
+c1ccccc1NC(=O)c2oc(CC(C(O)C)CO)cc2	2764
+CC(C)(C)C(NS(=O)(=O)c1cc2c(c(Cl)cnc2Cl)cc1)C(OC(C)(C)C)=O	592
+CC(C)(C)C(NC(c1ccc(cc1)-c2cnc3n(n2)c(C4(CC4)c5ccc6ncsc6c5)nn3)=O)C(=O)OC(C)(C)C	259
+CC(C)(C)C(NC(c1ccc(cc1)-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)=O)C(=O)OC(C)(C)C	259
+c1cc(ccc1OCC#CC)CC(C(O)=O)N	32
+CC(C)(C)OC(C(NS(=O)(=O)c1ccccc1)Cc2ccc(cc2)OCCCC(O)=O)=O	592
+CC(C)(C)OC(C(N1C(C(O)=O)CCC1)C2C(CC)CCN2)=O	4
+CCOC(C(CSCCCCCCC)NC(C(O)=O)C)=O	32
+CC(C)(C)[Si](C)(C)OCC(NC(C)C(=O)OC(C)(C)C)c1ccc(cc1)C#N	19
+CC(C)(C)OC(NC(CCC(=O)O)C(=O)OC(C)(C)C)=O	210
+c1c(cc2nonc2c1)Oc3ncccc3C(NCc4ccc(cc4F)OC(C(O)=O)C)=O	32
+c1cc(ccc1)COc2cc(CC(=O)OCC)cc(Br)c2	2763
+CC(C(=O)O)c1ccc2N(C(Sc2c1)=O)COC	32
+c1ccccc1-c2ccc3n(n2)c(C(c4ccc5c(c4)cc(OC)cn5)C)nn3	7169
+C1CCC(C1)C(C(=O)O)c2ccc(cc2)CN3C(=O)c4c(cccc4)C3	32
+CC(C)(C)OC(C(c1ccc(cc1)N2C(c3c(C2)ccc(Cl)c3)=O)C)=O	1473
+CC(C)(C)OC(C(c1ccc(cc1)N2C(=O)c3cc(Br)ccc3C2)C)=O	1473
+CC(C)(C)OC(C1(CC1)Cc2cc(NCc3ccccc3)ccc2)=O	250
+CC(C)(C)OC(C1(CC1)Cc2cc(NCc3ccccc3)c(cc2)F)=O	250
+CC(C)(C)OC(C1(CC1)Cc2ccc(c(NC(C(NC(OCc3ccccc3)=O)C(C(F)(F)F)C)=O)c2)F)=O	33
+CC(C)(C)OC(C1(CC1)Cc2ccc(F)c(c2)NC(C(N3Cc4c(cccc4)CC3)C5=CCCC5)=O)=O	7170
+CC(C)(C)OC(=O)C1(CCOCC1)CN2CCC(CC2)C#[N+]CS(=O)(=O)c3ccc(cc3)C	1141
+CC(C)(C)OC(C1(CCOCC1)CN2CCC(CC2)C#N)=O	881
+CC(C)(C)OC(=O)C1C(CN(C1)C(OC(C)(C)C)=O)C=NO	410
+CC(C)(C)OC(=O)C1CN(CC1C(=NO)Cl)C(OC(C)(C)C)=O	1964
+CC(C)(C)OC(C1CC2(CCC1(CC2)CN)CN)=O	51
+CC(C)(C)OC(=O)C1CC2(CCC1(CC2)C(N)=O)CN	83
+CC(C)(C)OC(=O)C1(CC1)Cc2cc(ccc2)Br	7171
+CC(C)(C)OC(=O)C1C2(CCC(CC2)(CN)C1)C#N	143
+CC(C)(C)OC(C1N(C(=O)CNC(=O)OC(C)(C)C)C(c2ccccc2)CC1)=O	478
+CC(C)(C)OC(=O)C1CCN(CC1)c2c(C#N)cc(C(=O)O)c(n2)C	6
+CC(C)(C)OC(=O)C1CCN(CC1)c2c(C#N)cc(C(=O)OCC)c(n2)C	43
+CC(C)(C)OC(C1CN(C(N1C(=O)OCc2ccccc2)=O)CC)=O	7172
+CC(C)(C)OC(N1CC(O)CC1C(=O)OC(C)(C)C)=O	2118
+CC(C)(C)OC(C1CCC(N1C(CNC(Nc2cc(ccc2)C(C)C(O)=O)=O)=O)c3ccccc3)=O	210
+CC(C)(C)OC(C1N(C(=O)OC(C)(C)C)CC(C1)N=[N+]=[N-])=O	298
+CC(C)(C)OC(C1N(C(=O)C2N(C(C(NC(CSCCCCCCC)C(=O)OCC)C)=O)CCC2)CCC1)=O	348
+CC(C)(C)OC(=O)C1C(CCCCN1S(=O)(=O)c2ccc(cc2)OC)CO	21
+c1cc(ccc1OC)S(=O)(=O)N2C(C(COC(C)=O)CCCC2)C(O)=O	32
+CC(C)(C)OC(=O)C=1N2C(=O)C(NC(=O)Cn3c(S(=O)(=O)C)ncc3)C2SCC=1COC(C)=O	207
+O=S(=O)(c1n(CC(=O)NC2C3SCC(COC(C)=O)=C(C(O)=O)N3C2=O)ccn1)C	628
+CC(C)(C)OC(CCN1CCC(CC1)CN(C2C(c3scc(C(=O)Nc4sc(nn4)C)c3)C2)C(=O)C(F)(F)F)=O	3438
+CC(C)(C)OC(CCOCCOCCOCCO)=O	1615
+CC(C)(C)OC(=O)C=Cc1cnc2NC(CN(C)Cc2c1)=O	1953
+CC(C)(C)OC(CCNCCc1cc(F)ccc1)=O	1340
+CC(C)(C)OC(=O)C=Cc1ccc(OCCC)c(-c2nc(c3c(n2)n(nc3C)CCC)O)c1	233
+CC(C)(C)OC(CCOCCc1ccc2c(ccs2)c1)=O	1615
+CC(C)(C)OC(=O)C=Cc1ccc(c(F)c1)C=O	233
+CC(C)(C)OC(=O)C=Cc1ccc(cc1)-c2ccn(CC)n2	233
+CC(C)(C)OC(C=Cc1ccc(cc1)C=O)=O	233
+CC(C)(C)OC(C=Cc1ccc(cc1)Oc2c(sc3cc(ccc23)OC)-c4ccc(cc4)OC)=O	233
+CC(C)(C)OC(=O)C=Cc1c(cccc1)N2CCC3(CCC(CC3)C(=O)N)CC2	327
+C1CC2(CCC(CC2)C(=O)N)CCN1c3ccccc3C=CC(O)=O	628
+CC(C)(C)OC(C=Cc1cn(S(=O)(=O)Cc2ccccc2)cc1)=O	4070
+CC(C)(C)OC(=O)C=Cc1ccn(S(=O)(=O)c2cc(ccc2)Br)c1	917
+CC(C)(C)OC(=O)CCc1cc(Cl)cc(Cl)c1	159
+c12cc(C=CC(=O)O)cnc1NC(=O)C(C2)C(OC)=O	628
+c1(c(cc(cc1)C=CC(O)=O)-c2nc(c3c(n2)n(nc3C)CCC)O)OCCC	628
+O=Cc1ccc(C=CC(=O)O)cc1F	628
+c1cc(ccc1C=CC(=O)c2cc(c(F)cc2)F)C=CC(=O)O	628
+O=S(=O)(n1ccc(C=CC(=O)O)c1)c2cc(ccc2)Br	628
+C(=O)(O)C=Cc1cc2CN(C)CC(=O)Nc2nc1	628
+CC(C)(C)[Si](C)(C)Oc1ccc2c(n(CC(=O)OC(C)(C)C)cc2)c1	256
+CC(C)(C)[Si](C)(C)Oc1ccc2c(nn(CC(=O)OC(C)(C)C)c2c1)I	1458
+CC(C)(C)[Si](C)(C)Oc1cc2n(cc(Cl)c2cc1)CC(=O)OC(C)(C)C	256
+CC(C)(C)OC(COCCN(C)C(=O)C1=C(c2ccc(cc2)C(C)(C)C)N(C)N(C1=O)c3ccc(cc3)C#N)=O	337
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CC(=O)OC(C)(C)C)c2cc3c(cc2)nccc3	4071
+CC(C)(C)OC(CN(Cc1cc(ccc1)-c2noc(-c3cc(c(-c4ccccc4C)cc3)COC)n2)C(C)C)=O	303
+CC(C)(C)OC(=O)Cn1c(ccc1-c2cc3C(C)(C)OC(=O)Nc3cc2)C#N	2318
+CC(C)(C)OC(=O)Cn1c(c(Sc2c(F)c(C(OCC)=O)ccc2)c3ccc(Cl)c(F)c13)Cl	256
+CC(C)(C)OC(Cn1ncc(C(OCC)=O)c1)=O	764
+CC(C)(C)OC(Cn1c2c(c(C3CCCCC3)c1[Si](C)(C)C)cc(cn2)C(=O)OC)=O	7173
+CC(C)(C)OC(=O)COCC1N(S(=O)(=O)c2c(C)cc(cc2C)OC)CCCC1	337
+CC(C)(C)OC(COc1c(cc(cc1)Cl)Br)=O	52
+CC(C)(C)OC(CN1C(=O)C=C(c2cc(ccc2Br)Cl)C3=C1CCC3=O)=O	7174
+CC(C)(C)OC(COc1c(C=O)cc(cc1)Cl)=O	52
+CC(C)(C)OC(CN1C(C=C(c2cc(Cl)ccc2C#N)C(Cl)=C1)=O)=O	7175
+CC(C)(C)OC(COc1cc(C(=O)OC)ccc1Cl)=O	52
+FC(F)(F)C(C=Cc1ccc(cc1)OCC(OC(C)(C)C)=O)=O	52
+FC(F)(F)C(c1cn(c2c1ccc(Br)c2)CC(=O)OC(C)(C)C)=O	256
+FC(F)(F)Oc1ccc(cc1)OCC(=O)OC(C)(C)C	52
+CC(C)(C)OC(=O)COC1CCC(CC1)Nc2cc(c(cc2)[N+]([O-])=O)C(F)(F)F	337
+CC(C)(C)OC(CN1CCN(CC1)C(c2ccccc2)c3cccc(C(F)(F)F)c3)=O	303
+CC(C)(C)OC(=O)CC(Cc1cc(c(N)c(c1)C(F)(F)F)Cl)C(N2C(Cc3ccccc3)COC2=O)=O	7176
+FC(F)(F)c1ccc(cc1)-c2sc(c(C)n2)CCOc3ccc4c(c3)n(CC(OC(C)(C)C)=O)cc4CCC	256
+CC(C)(C)OC(=O)COCc1cc(ccn1)C(F)(F)F	337
+CC(C)(C)OC(Cn1c2ccc(c(Cl)c2cc1C(F)F)C#N)=O	256
+CC(C)(C)OC(=O)Cn1cc(c2cc(NC(=O)C3CCC(F)(F)C3)ccc12)C(=O)C	256
+CC(C)(C)OC(CN1C(=O)N(CC1)c2ccccn2)=O	4072
+CC(C)(C)OC(=O)CN1c2cccc(F)c2NCC1=O	933
+CC(C)(C)OC(=O)CN1C(C(CSC(C1)c2occc2)N3C(=O)c4ccccc4C3=O)=O	584
+CC(C)(C)OC(COc1ccc(C=O)cc1-c2cc(c(cc2)F)S(=O)(=O)C)=O	52
+CC(C)(C)OC(=O)COc1ccccc1CC(c2c3ccccc3n(CCCCC)c2)=O	52
+CC(C)(C)OC(=O)COc1cccc2n(Cc3ccccc3Cl)c4c(c12)c(C(N)=O)ccc4	52
+CC(C)(C)OC(COCCN(C1CC1)S(=O)(=O)c2c(C)cc(cc2C)OC)=O	337
+CC(C)(C)OC(COc1c2c(sc1C(OC)=O)ncc(c2)[N+]([O-])=O)=O	7177
+CC(C)(C)OC(COc1c(C(=O)C)c(O)ccc1)=O	52
+CC(C)(C)OC(COc1cccc([N+](=O)[O-])c1N)=O	52
+CC(C)(C)OC(COc1ccc(cc1Br)C=O)=O	52
+CC(C)(C)OC(COc1cccc(c1)Sc2cc(Nc3scc(n3)C)ncc2)=O	52
+CC(C)(C)OC(COc1c2CCCCC(=O)c2ccc1)=O	52
+CC(C)(C)OC(Cn1c2c(c(C(N)=O)n1)cccc2)=O	1458
+CC(C)(C)OC(COc1cccc(CO)c1C)=O	52
+CC(C)(C)OC(COc1c(Cl)cc(cc1Cl)[N+](=O)[O-])=O	52
+CC(C)(C)OC(=O)CN1C(C=C(C(C(=O)OCC)=C1)Nc2ccc(cc2F)I)=O	7178
+CC(C)(C)OC(=O)COCCCCN(C(C)C)c1nc(-c2ccccc2)c(-c3ccccc3)nc1	337
+CC(C)(C)OC(=O)CN1C(=O)C(N)C(c2ccccc2)Sc3ccccc13	933
+CC(C)(C)OC(COc1ccc(cc1Cl)CCC(OCc2ccccc2)=O)=O	52
+CC(C)(C)OC(CN(CC)CC(OCc1ccccc1)=O)=O	7179
+CC(C)(C)OC(=O)COc1ccc(cc1)-c2ccc(cc2)C#N	52
+CC(C)(C)OC(CN1CCC(CC1)n2c3c(c(N)ncn3)c(n2)-c4ccc(cc4)Oc5ccccc5)=O	303
+CC(C)(C)OC(=O)COc1c(C(=O)OCC)n(c(C(OCC)=O)c1OCc2ccccc2)-c3ccc(cc3)OC	1456
+CC(C)(C)OC(COCc1ccc(cc1)Oc2ccc(cc2)C(=O)OC)=O	337
+CC(C)(C)OC(COCCOc1ccc2c(c1)c(c(c(CC(C)C)n2)C#N)-c3ccc(cc3)C)=O	337
+CC(C)(C)OC(COc1ccc(cc1)C=O)=O	52
+CC(C)(C)OC(=O)CN1c2ccccc2C(=O)N(C1=O)c3ccc(cc3)CC(OCC)=O	4073
+CC(C)(C)OC(=O)Cn1c(Cc2ccc(cc2)F)cc(-c3cn(nn3)Cc4ccc(cc4)OC)n1	764
+CC(C)(C)OC(COc1ccc(cc1)OCCOCCOCCOCCCCCCCCCC=C)=O	52
+CC(C)(C)OC(=O)COc1cccc(C(OC)=O)c1	52
+CC(C)(C)OC(CN1C(=CC=C(NC(=O)OCc2ccccc2)C1=O)C)=O	4074
+CC(C)(C)OC(=O)Cn1c2c(CCN(C(=O)OCc3ccccc3)C2)c4c1cccc4	256
+CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)OCc2ccccc2)=CC=C1C(C)C	4074
+CC(C)(C)OC(COCCOCCOCCOCc1ccccc1)=O	337
+CC(C)(C)OC(=O)CNc1ccc(cc1OCc2ccccc2)I	1230
+CC(C)(C)OC(=O)Cn1c2ccc(OCc3ccccc3)cc2c(c1)C(C)=O	256
+CC(C)(C)OC(CC(=O)CC(O)C=CC(=C(c1ccc(cc1F)C)c2ccc(cc2F)C)c3n(C)nnn3)=O	1536
+CC(C)(C)OC(CC(=O)CC(C=CC(c1nnnn1C)=C(c2ccc(F)cc2C)c3ccc(F)cc3C)O)=O	1536
+c1cc(ccc1)S(=O)(=O)C2CN(C(=O)CC(C)=O)C(C(=O)OC)C2	7180
+CC(C)(C)OC(=O)CC(CC(CCCC)C)O	770
+CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1cc(F)c(C#N)cc1F	1266
+FC(F)(F)c1ccc(NC(=O)OC(C)(C)C)c(NC(CC(c2cccc(-c3cnccc3C)c2)=O)=O)c1	496
+CC(C)(C)OC(=O)Nc1cc(c(C)cc1NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)N(C)C	496
+CC(C)(C)OC(Nc1cc(c(cc1NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)C#N)N(CC)CC)=O	496
+FC(F)(F)c1c(cc(c(NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)c1)NC(=O)OC(C)(C)C)C	496
+FC(F)(F)c1c(cc(c(c1)NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)NC(=O)OC(C)(C)C)N4CCSCC4	496
+CC(C)(C)OC(=O)Nc1cc(NC(C)C)c(cc1NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)Cl	496
+FC(F)(F)c1cc(c(NC(OC(C)(C)C)=O)cc1OCC)NC(=O)CC(c2ccnc(-c3cnccc3)c2)=O	496
+CC(C)(C)OC(Nc1c(NC(=O)CC(=O)c2ccnc(-c3onc(c3)C)c2)cc(Cl)c(c1)N(C)CCOC)=O	496
+CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C(ON=C(N)C(=O)OCC)=O	7181
+CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C(ON=C(N)Cc2ccncc2)=O	4075
+CC(C)(C)OC(CC(CO)Nc1ccc(c(Cl)c1)C#N)=O	21
+CC(C)(C)OC(=O)CC(CO)CC(CCCCC)C	21
+CC(C)(C)OC(CC(c1nc(C(OCC)=O)no1)CCCC2CCCCC2)=O	7182
+CC(C)(C)OC(=O)CC(CCCC1CCCCC1)c2onc(n2)CN(CC(=O)OCC)C	303
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2onc(n2)CN(CC(O)=O)C)=O	3
+CC(C)(C)OC(=O)CC(CNC)Nc1ccc(C#N)c(c1)Cl	1385
+CC(CC(CN)CC(=O)O)CCCCC	32
+CC(C)(C)OC(=O)CC(CN)CC(CCCCC)C	18
+CC(C)(C)OC(=O)CC(Nc1ccc(C#N)c(c1)Cl)CN	18
+CC(C)(C)OC(=O)CC(COS(=O)(=O)c1ccc(cc1)C)CC(C)CCCCC	36
+CC(C)(C)OC(=O)CC(CN=[N+]=[N-])CC(CCCCC)C	254
+CC(C)(C)OC(=O)CC(CN=[N+]=[N-])Nc1cc(Cl)c(cc1)C#N	254
+CC(C)(C)OC(CC(NS(=O)(=O)c1ccc(NC(=O)C)cc1OCCc2cccc3ccccc23)C=O)=O	378
+CC(C)(C)OC(=O)CC(NS(=O)(=O)c1ccc(cc1OCCc2cccc3ccccc23)N)C(N(C)OC)=O	0
+CC(C)(C)OC(=O)CC(NS(=O)(=O)c1c(cc(NC(=O)C)cc1)OCCc2cccc3ccccc23)C(N(C)OC)=O	26
+CC(C)(C)OC(=O)CC(c1ccccc1)Nc2c(N)cccc2	0
+CC(C)(C)OC(CC(Nc1cc(c(C#N)cc1)Cl)CNS(=O)(=O)c2c([N+]([O-])=O)cccc2)=O	71
+CC(C)(C)OC(CC(CNCc1ccccc1)Nc2cc(Cl)c(cc2)C#N)=O	42
+CC(C)(C)OC(CC(c1c(c(-c2cc(CC(C)(C)C)on2)on1)C3CC3)CCCOCc4ccccc4)=O	7183
+FC(F)(F)c1c(cc2N=C(CC(=O)Nc2c1)c3cccc(-c4cc(C)nc(N)n4)c3)C	7184
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(c1)NC(=O)CC(=O)c2cccc(-c3ccc(OC)nn3)c2)N(C)C	496
+CC(C)(C)OC(Nc1cc(c(Cl)cc1NC(=O)CC(=O)c2cc(-n3c(COC4CCCCO4)cnn3)ccc2)N(C)C)=O	496
+CC(C)(C)OC(CC(N)c1cccc(c1)F)=O	1191
+FC(F)(F)c1ccc(NC(=O)OC(C)(C)C)c(NC(CC(c2cc(ccc2)-c3c(cc(nc3)C4CC4)C)=O)=O)c1	496
+CC(C)(C)OC(Nc1cc(c(Cl)cc1NC(CC(=O)c2cccc(c2)-n3cc(cn3)COC4OCCCC4)=O)N(C)C)=O	496
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(CC(=O)c3sc(C#N)cc3)=O)=O	496
+CC(C)(C)OC(CC(c1ccc(cc1)NC(Cc2ccc(c(c2)OC)NC(N3c4ccccc4CC3)=O)=O)C)=O	7185
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(c1)NC(=O)CC(=O)c2cc(ccc2)-c3ccnn3C)N(C)C	496
+CC(C)(C)OC(CC(n1cnc2ccccc12)c3ccccc3)=O	7186
+CC(C)(C)OC(CC(c1onc(COS(=O)(=O)c2ccc(cc2)C)n1)CCCC3CCCCC3)=O	36
+CC(C)(C)OC(=O)CC1(C(OCc2ccccc2)=O)CN(CC1C)C(=O)OCc3ccccc3	283
+CC(C)(C)OC(=O)CC1(C(=O)O)CN(C(=O)OCc2ccccc2)CC1C	66
+c1cc(ccc1)C2OC(=O)CCC=CCC(C(N(C)C2C)=O)CC(O)=O	32
+CC(C)(C)OC(=O)CC1CC(C(c2ccc(cc2)Cl)N(C1=O)C(CC)CCC#N)c3cc(Cl)ccc3	7187
+CC(C)(C)OC(=O)CC1C(N(C(CO)CC)C(C(c2cccc(Cl)c2)C1)c3ccc(cc3)Cl)=O	44
+CC(C)(C)OC(=O)CC1CC(C(N(C(CC)C=O)C1=O)c2ccc(cc2)Cl)c3cc(Cl)ccc3	24
+CC(C)(C)OC(=O)CC1C(=O)N(C(C=CC#N)CC)C(c2ccc(cc2)Cl)C(C1)c3cccc(c3)Cl	7188
+c1cc(ccc1Cl)C2C(c3cc(Cl)ccc3)CC(CC(O)=O)C(=O)N2C(CC)CCC#N	32
+C1CC(CCC1CC(O)=O)C(OCC)=O	32
+c1cc(ccc1-c2c(ccc(c2)F)OC)CC(CC(OCC)=O)NC(=O)CCC(=O)O	32
+CC(C)(C)OC(=O)CCC(=O)NC(Cc1ccc(cc1)-c2c(ccc(F)c2)OC)CC(=O)OCC	11
+CC(C)(C)OC(=O)CCc1nc(c2c(nccc2)n1)O	7189
+CC(C)(C)OC(=O)CCC(C(=O)N1CCN(CC1)C(=O)OCC)NC(c2nc3c(c(C(O)=O)c2)cccc3)=O	1
+CC(C)(C)OC(=O)CCC(C(=O)N1CCN(CC1)C(=O)OCC)NC(c2cc(C(OC)=O)c3c(n2)cccc3)=O	712
+CC(C)(C)OC(=O)CCC(C(=O)OC)NC(=O)C1=NN(C(C1)=O)c2ccccc2	7190
+Clc1ccc(c(Cl)c1)CNC(c2cnc(nc2O)NC(CCC(=O)O)=O)=O	32
+c1cc(ccc1Oc2ccc(c(c2)CC)OC)C(=O)CCC(O)=O	32
+CC(C)(C)OC(CCc1cccc(C#N)n1)=O	1304
+CC(C)(C)OC(=O)CCCOc1c(cc(C#N)cc1Cl)C	8
+CC(C)(C)OC(CCCOc1c(NC(c2ccc(c(Br)c2)Cl)=O)c(C)ccc1)=O	8
+CC(C)(C)OC(=O)CCCCC1=Cc2c(ccc(c2)-c3noc(n3)C4Cc5c(C4)cccc5)C(=O)N1c6ccc(cc6)F	859
+CC(C)(C)OC(=O)CCCCC1=Cc2cc(C#N)ccc2C(=O)N1c3ccc(cc3)F	1308
+CC(C)(C)OC(=O)CCCCC1=Cc2cc(C(=O)O)ccc2C(=O)N1c3ccc(cc3)F	1
+CC(C)(C)OC(=O)CCCCC1=Cc2c(C(=O)N1c3ccc(cc3)F)ccc(C(NO)=N)c2	181
+CC(C)(C)OC(=O)CCCCC1=Cc2cc(CO)ccc2C(=O)N1c3ccc(cc3)F	49
+CC(C)(C)OC(=O)CCCCC1=Cc2c(C(=O)N1c3ccc(cc3)F)ccc(c2)C=NO	135
+CC(C)(C)OC(=O)CCCCC1=Cc2cc(C=O)ccc2C(=O)N1c3ccc(cc3)F	39
+CC(C)(C)OC(CCCCCI)=O	1273
+CC(C)(C)OC(CCCCCC(c1oc(cn1)-c2cc3c(cccc3)nc2OC)NC(=O)OCc4ccccc4)=O	7191
+c1ccccc1-c2c(c3c(cccc3)[nH]2)CCNC(C(CCCCCC(=O)O)NC(=O)c4sccc4)=O	32
+CC(C)(C)OC(=O)CCCCCC(NC(c1cccs1)=O)C(O)=O	4
+CC(C)(C)OC(=O)CCCCCC(C(OC)=O)NC(=O)c1sccc1	2765
+CC(C)(C)OC(=O)CCCCCC(C(NCCc1c(-c2ccccc2)[nH]c3ccccc13)=O)NC(=O)c4sccc4	9
+C(C(NC(=O)CCCCCCCCCCCCCCC(O)=O)CCN=[N+]=[N-])(=O)O	32
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)NC(CCN=[N+]=[N-])C(=O)O	4
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)NC(CCN=[N+]=[N-])C(OC)=O	188
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(NC(C(O)=O)CCN=[N+]=[N-])=O	4
+O=C(C(CCN=[N+]=[N-])NC(=O)CCCCCCCCCCCCCCCCC(O)=O)O	32
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)NC(CCN=[N+]=[N-])C(OC)=O	188
+CC(C)(C)OC(CCCCCCCCCCCCCCCCC(=O)ON1C(CCC1=O)=O)=O	3423
+c1ccccc1OCCCCCC(O)=O	32
+CC(C)(C)OC(CCCCNC(=O)NCCCCC1C2C(CS1)NC(=O)N2)=O	588
+FC(F)(F)c1ccc2c(C(CC(N2)CC)Nc3ncc(cn3)OCCCCC(=O)OC(C)(C)C)c1	96
+c1cc(ccc1F)-c2c(CCCCC(=O)O)nc3cc(C(C4CC4)=O)ccc3n2	32
+CC(C)(C)OC(=O)CCCCc1c(-c2ccc(cc2)F)nc3c(n1)cc(cc3)C(N(OC)C)=O	280
+C1CC(CCC1)CC(=O)Nc2c3c(nc(NCCCC(=O)O)cc3)ccc2Cl	32
+C1CCC(C1)c2nc(cc(c2)-c3onc(n3)-c4cc(c(c(Cl)c4)OCCCC(O)=O)C)OC	32
+CC(C)(C)OC(=O)CCCOc1c(cc(cc1Cl)C(=N)NO)C	181
+CC(C)(C)OC(=O)CCCOc1cnc(nc1)NCc2cc(ccc2-c3cc(C(C)C)ccc3OC)C(F)(F)F	96
+CC(C)(C)OC(=O)CCNCc1cc2c(cc1)nc(-c3cc(c(-c4ccccc4)cc3)C(F)(F)F)s2	370
+CC(C)(C)OC(CCNS(=O)(=O)c1cc2c(ncc(Cl)c2cc1)Cl)=O	71
+CC(C)(C)OC(CCNS(=O)(=O)c1cccc(C(=O)OC)c1)=O	71
+CC(C)(C)OC(=O)CCN1CCSC(c2ccc(cc2)I)C1	2766
+CC(C)(C)OC(CCN1CC(SCC1)c2ccc(cc2)Oc3ccccc3Cl)=O	754
+FC(F)(F)c1cc(ccc1-c2ccccc2)-c3sc4cc(CNCCC(=O)O)ccc4n3	32
+C1CC2(CCN1C(=O)c3cc(ccc3)S(=O)(=O)NCCC(O)=O)CNC(=NC(c4nc(c(nc4N)N)Cl)=O)N2	32
+C1CC2(CCN1CCc3cccc(c3)CCOCCC(O)=O)CN(C(=O)c4nc(C(C)C)sc4)CCO2	32
+Clc1ccc(c(C(Nc2nn(cc2)-c3ccc(c(C)c3)C)=O)c1)NC(=O)c4cccc(CSCCC(=O)O)c4	32
+CC(C)(C)OC(=O)CCc1cc(cc(CC(NC(OCc2ccccc2)=O)C)c1)Cc3cnccc3	7192
+CC(C)(C)OC(=O)CCc1cc(CC(C(O)=O)C)cc(c1)Cc2cnccc2	4
+CC(C)(C)OC(CCc1cc(Cl)c(c(Cl)c1)C=O)=O	151
+C1(c2nc(ccc2)CCC(=O)O)=NC(c3ccc(C)cc3S1)=O	32
+CC(C)(C)OC(=O)CCC=1[N+](=O)C(=C=[N-])C=CC=1	1649
+CC(C)(C)OC(CCc1ccnc(C=2Sc3ccccc3C(=O)N=2)c1)=O	2767
+CC(C)(C)OC(CCc1ccnc(C2=NC(c3ccc(cc3S2)F)=O)c1)=O	7193
+c1(c2cccnc2nc(n1)CCC(=O)O)O	32
+CC(C)(C)OC(=O)CCc1cccc[n+]1[O-]	103
+CC(C)(C)OC(=O)CNc1c([N+](=O)[O-])cc(NC(=O)OC(C)(C)C)cc1	945
+CC(C)(C)[Si](C)(C)OCCOCCC(C)(C)CC=NCC(=O)OC(C)(C)C	2768
+CC(C)(C)OC(=O)CN=CCC(C)(C)CCN=[N+]=[N-]	2768
+CC(C)(C)OC(=O)CN=CCC(C)(C)c1ccc(o1)C	2768
+CC(C)(C)OC(CNC(C=1C(=O)C(C)(C)c2c(ccc(c2F)O)C=1O)=O)=O	3948
+CC(C)(C)OC(=O)CNC(=O)c1ccc(cc1)OCc2ccccc2	259
+CC(C)(C)OC(=O)CNC(c1cc(Cl)c(cc1)NC(=O)OCc2ccccc2)=O	259
+CC(C)(C)OC(=O)CNC(=O)c1ncc(cc1OCc2ccccc2)OCc3ccccc3	1008
+C1CC1N(C(C(C)CSC(C)=O)=O)CC(=O)O	32
+C1CCCC1N(C(=O)c2cccc(c2SC(C)=O)C)CC(O)=O	32
+CC(C)(C)OC(=O)CN(CCN1c2ccc(cc2SCC1)N)C	0
+CC(C)(C)OC(=O)CN(CCN1c2ccc(cc2SCC1)NC(=N)c3sccc3)C	1139
+CC(C)(C)OC(=O)CN1C(C(N)=CC=C1C(C)C)=O	1849
+CC(C)(C)OC(CN1C(=O)C(CSC(c2ccco2)C1)N)=O	1955
+c1cc(ccc1-c2ccccc2C#N)CC3=C(n4ncnc4N(C3=O)CC(O)=O)CCC	32
+CC(C)(C)OC(=O)CN1C(C(NS(=O)(=O)c2cccc(c2)C)=CC=C1C(C)C)=O	7194
+O=S(=O)(c1cccc(c1)C)NC2=CC=C(N(C2=O)CC(O)=O)C(C)C	32
+CC(C)(C)OC(=O)CN1C(C=C(C(C(=O)O)=C1)Nc2ccc(cc2F)I)=O	108
+c1cc(ccc1)CCC(NC2CSC(CN(CC(O)=O)C2=O)c3ccco3)C(=O)OCC	32
+c1cc(ccc1OC)S(=O)(=O)N2CCN(CC2)CC(O)=O	32
+CC(C)(C)OC(=O)CN1c2ccccc2C(=O)N(c3ccc(cc3)CC(=O)NCCc4ccccc4)C1=O	9
+CC(C)(C)OC(=O)CN1c2ccccc2C(=O)N(C1=O)c3ccc(cc3)CC(=O)O	3
+c1cc(ccc1N2C(=O)N(c3ccccc3C2=O)CC(=O)O)CC(=O)NCCc4ccccc4	32
+C1CC2(CCO1)c3ccccc3C(=C(C2=O)C(NCC(=O)O)=O)O	32
+CC(C)(C)OC(CNC(=O)c1ccc(cc1)OCCc2c(F)cccc2)=O	126
+CC(C)(C)OC(=O)CNC(=O)c1ccc(cc1)O	16
+CC(C)(C)OC(=O)CNC(c1c(cc(cn1)O)O)=O	321
+CC(C)(C)OC(=O)CNC(=O)c1ncc(OCc2ccccc2)cc1O	321
+CC(C)(C)OC(CNc1ncc(s1)C=O)=O	7195
+c1(cc(cnc1C(NCC(=O)O)=O)O)O	32
+CC(C)(C)OC(=O)Nc1cc(c(cc1)NCC(OC(C)(C)C)=O)N	0
+c1(C(C)O)cccc(NC)n1	7196
+FC(F)(F)c1c(ccc(c1)NC2CCC(CC2)OCC(=O)O)[N+]([O-])=O	32
+O=S(=O)(c1c(C)cc(cc1C)OC)N2CCCCC2COCC(O)=O	32
+CC(C)(C)OC(=O)COCCCCN(c1nc(c(-c2ccc(cc2)C)cn1)-c3ccc(cc3)C)C	7197
+c1cc(ccc1)-c2c(-c3ccccc3)nc(N(CCCCOCC(O)=O)C(C)C)cn2	32
+CC(C)(C)OC(=O)COCCOCCN	2769
+FC(F)(F)c1ccnc(c1)COCC(=O)O	32
+c1ccccc1COc2c(OCC(O)=O)c(n(-c3ccc(cc3)OC)c2C(=O)OCC)C(=O)OCC	32
+CC(C)(C)OC(=O)COc1c(c(ccc1)C(C)O)C	7198
+c1cc2n(CCCCC)cc(C(=O)c3cccc4ccccc34)c2cc1OCC(=O)O	32
+CC(C)(C)OC(=O)COc1ccc(C(NO)=N)cc1F	181
+CC(C)(C)OC(COc1ccc(cc1F)-c2nc(-c3cc(c(-c4ccccc4C)cc3)COC)on2)=O	529
+c1cc(ccc1OCC(O)=O)-c2c(c(CN3C(=O)CCC3=O)nc4c2c5CCS(=O)Cc5s4)Cl	32
+CC(C)(C)OC(=O)COc1ccc(cc1)-c2c(c(CN3C(=O)CCC3=O)nc4c2c5CCS(=O)Cc5s4)Cl	441
+c1cc(ccc1-c2ccc(cc2)OCC(=O)O)C#N	32
+CC(C)(C)OC(COc1ccc(Cl)cc1C#C)=O	75
+c1ccc(OCC(=O)O)cc1C(=O)OC	32
+c1cc(c2c3c(n(Cc4c(cccc4)Cl)c2c1)cccc3OCC(O)=O)C(=O)N	32
+CC(C)(C)OC(=O)C=Cc1cc(c(cc1)O[Si](C)(C)C(C)(C)C)C2CCCC2	1097
+CC(C)(C)OC(Cc1c(F)cc(cc1F)OCCC2C(C3CCN(CC3)c4ncc(cn4)OCC)C2)=O	2024
+CC(C)(C)OC(=O)Cc1cnc(c(c1)F)Cl	4076
+CC(C)(C)OC(Cc1cnc(Cl)c(C)c1)=O	4076
+CC(C)(C)OC(Cc1ccc(OCc2ccccc2)cc1C#N)=O	2024
+CC(C)(C)OC(=O)Cc1c(cc(OCCC2C(C3CCN(CC3)c4ncc(cn4)COC)C2)cc1)Cl	2024
+c1nc(ncc1COC)N2CCC(CC2)C3C(CCOc4cc(c(cc4)CC(O)=O)Cl)C3	32
+c1cc(nc2c1ccc(c2CC(=O)OCC)Cl)C	7199
+CC(C)(C)OC(Cc1ccc(c(CN)c1)Oc2ccc(cc2)C(=O)OC)=O	107
+C(c1cc(F)c(-c2cc(F)ncc2)nc1)C(=O)O	32
+Nc1c([N+]([O-])=O)c(cc(F)c1)CC(=O)O	32
+CC(C)(C)OC(=O)Cc1cc(C#N)c(Oc2ccc(cc2)C(=O)OC)cc1	46
+c1cc(ccc1Oc2c(cc(cc2)CC(O)=O)CNS(=O)(=O)C)C(Nc3ccc(c(Cl)c3)Cl)=O	32
+CC(C)(C)OC(=O)Cc1cc(F)c(-c2ccnc(F)c2)nc1	1299
+CC(C)(C)OC(=O)Nc1cc2nc(n(CC(=O)O)c2cc1)CCC	32
+CC(C)(C)OC(Cn1c(CCC)nc2c1ccc(N)c2)=O	78
+c1cc(ccc1OC)Cn2cc(-c3nn(CC(=O)O)c(c3)Cc4ccc(cc4)F)nn2	32
+C(O)(Cn1c(Cl)c(c2ccc(Cl)c(F)c12)Sc3cccc(c3F)C(OCC)=O)=O	32
+CC1(C)OC(=O)Nc2c1cc(-c3n(c(cc3)C#N)CC(O)=O)cc2	32
+CC(C)(C)OC(=O)Cn1c2c(cccc2)c3CCNCc13	62
+C(Cn1c2ccc(cc2c(C(=O)C)c1)C(=O)OC)(=O)O	32
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(COc3cc4c(c(Cl)cn4CC(=O)OC(C)(C)C)cc3)s2	2119
+CC(C)(C)OC(Cn1c2c(c3ccccc13)CCN(C(=O)Nc4cc(ccc4)C)C2)=O	326
+CC(C)(C)OC(Cn1cc(c2cc(ccc12)O)C(=O)C)=O	16
+CC(C)(C)OC(=O)Cn1cc(CC#N)c2c(cccc12)N	0
+n1(c2cnccc2c(n1)C(=O)N)CC(=O)O	32
+CC(C)(C)OC(Cn1c2c(c(c(cc2)Cl)N)c(CC#N)c1)=O	196
+c1cc(ccc1)-c2nc(COc3cc4c(ccn4CC(=O)O)cc3)c(C)s2	32
+FC(F)(F)c1ccc(c(c1F)F)-c2sc(COc3ccc4ccn(CC(OC(C)(C)C)=O)c4c3)c(C)n2	2119
+CC(C)(C)OC(=O)Cn1ccc2ccc(OCc3nc(-c4ccccc4)sc3C)cc12	3947
+c1ccccc1-c2c3c(C(N(c4ccc(cc4)Cl)C(=N3)c5ccc(cc5)C(C)C)=O)n(CC(=O)O)n2	32
+n1(c2ccc(cc2c(n1)C(=O)N)Nc3nnccc3)CC(=O)O	32
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)CCCc1cc2c(cc1)OC(CC)C2	2676
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)Cc1c(cccc1)O	16
+C1COCCC1C(NC(C(NC)C)=O)C(=O)N2C(C(=O)Nc3c(cccc3F)C)Cc4cccnc24	255
+CC(C)(C)OC(=O)N(C(C(=O)NC(C(=O)N1C(C(=O)Nc2c(cccc2F)C)Cc3cccnc13)C4CCOCC4)C)C	33
+CC(C)(C)OC(=O)N(C(C(=O)NC(C(N1C(Cc2c1nccc2)C(=O)O)=O)C3CCOCC3)C)C	3
+c1ccccc1CC(C(C)NC(C(NC)CC(C)C)=O)=O	255
+CC(C)(C)OC(=O)N(C(C(NC(C(Cc1ccccc1)=O)C)=O)CC(C)C)C	612
+CC(C)(C)OC(=O)N(C(C)C(NC(C(=O)N1CCC2N(CC(C(=O)OC)C12)S(=O)(=O)C)C3CCCCC3)=O)C	112
+CC(C)(C)OC(N(Cc1cc(ccc1)N)C(C)C(F)c2ccccc2)=O	0
+CC(C)(C)OC(=O)N(C(C)C(=O)NC(C1CCCCC1)C(=O)N2CCC3NCC(C(=O)OC)C23)C	62
+CC(C)(C)OC(=O)N(C(C)C(NC(C(N1C2C(CN(C2CC1)S(=O)(=O)C)C(O)=O)=O)C3CCCCC3)=O)C	4
+CC(C)(C)OC(=O)N(C(C)C)C1CCNCC1	25
+CC(C)(C)OC(=O)N(Cc1ccc(cc1)C(=O)O)C(C)C	1
+CC(C)Nc1sc(-c2cn3c(c(c2)-c4ccccc4)nc(CO)c3)cn1	2770
+CC(C)(C)OC(=O)N(C(C)C)c1ncc(-c2cc(c3n(c2)cc(CO)n3)-c4ccccc4)s1	874
+CC(C)(C)OC(=O)N(C(C)C)c1ncc(-c2cn3c(c(-c4ccccc4)c2)nc(C(=O)O)c3)s1	6
+CC(C)Nc1sc(-c2cn3cc(nc3c(c2)-c4ccccc4)C(=O)OCC)cn1	2770
+CC(C)(C)OC(=O)N(C(C)C)c1ncc(s1)-c2cc(c3nc(C(NC)=O)cn3c2)-c4ccccc4	312
+CC(C)Nc1sc(-c2cn3c(nc(C(NC)=O)c3)c(-c4ccccc4)c2)cn1	2770
+CC(C)(C)OC(=O)N(CCOc1c(cccc1)OCC)C(C)Cc2cc(c3NCCc3c2)C#N	621
+CC(C)(C)OC(=O)N(C)C(CCC#N)c1ccc(cc1)OCc2ccccc2	2771
+CC(C)(C)OC(N(C(CCN1c2c(N(c3c(F)cccc3)S1(=O)=O)cccc2)c4ccccc4)C)=O	1909
+CC(C)(C)OC(=O)N(CC(=O)N(C)OC)C(C=C)COC	1541
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C(CCCO)(C)C(OC1CCCC1)=O	35
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)Cc1c(cc(cc1OC)C(=NO)N)OC	253
+C1Oc2c(c(N)ccc2C3C1OCC3)C(=O)OC	7200
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2nn(CCC)c(c2c3ccccc3n1)CCCCOC(C)=O	2120
+c1c2c(cc(c1COc3cc(Cl)c(F)cc3)Cl)c(N)no2	7201
+C(CCCc1n(nc2c1c3ccccc3nc2N)CCC)O	7202
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2nn(CCC)c(CCCC=O)c2c3ccccc3n1	24
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2nn(CCC)c(c2c3ccccc3n1)CCCCO	59
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1ncc(cc1)C=CC(=O)O	108
+n1c(ccc(C=CC(NCCCCc2ccc(C(NC)=O)c(NCC)n2)=O)c1)N	7203
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2cc(Cl)c(cc2on1)COc3cc(c(cc3)F)Cl	22
+c1(C)cc(C=CCC(C)NC)cnc1N	2
+CC(C)(C)OC(N(C(Cc1ccccc1)CCN)C)=O	51
+CC(C)(C)OC(=O)N(C)C(C)CC=Cc1cc(cnc1)OC(C)C	1514
+CC(C)(C)OC(=O)N(C)C(C)CC=Cc1cnc(c(C)c1)N	1514
+CC(C)(C)OC(N(C(C)CC=Cc1ccc2OCOc2c1)C)=O	858
+CC(C)(C)OC(=O)N(C(CCO)c1ccc(cc1)OCc2ccccc2)C	665
+CNC(CNC(=O)c1cc(ccc1)C(OCCNC(=O)OC)c2cccc(c2)Cl)CC3COCCC3	2
+CC(C)(C)OC(N(C)C(CNS(=O)(=O)C)Cc1ccccc1)=O	111
+CC(C)(C)OC(N(C(c1ccc(cc1)OCc2ccccc2)CC(OCC)=O)C)=O	22
+c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC	2
+C1CC(CCN1c2ccc(C#N)cn2)C(=O)N3CC(c4ccc(cc4)Cl)C(NC)C3	2
+C1CC(CCC1N(c2c(C)c(C(NCc3c(C)n(nc3OC)C)=O)cc(Cl)c2)CC)NC	2
+CC(C)(C)OC(N(C)C1CCC(CC1)OC(C(c2cccs2)(c3cccs3)O)=O)=O	2630
+CC(C)(C)OC(N(C1CCN(CC1)c2nnc(c(c2C)C)Cl)C)=O	212
+C1N(CC1NC)c2c3nnnn3c(cn2)-c4cccs4	2
+CC(C)(C)OC(=O)N(C)C1CN(C1)c2c3n(c(cn2)-c4cccs4)nnn3	7204
+CC(C)OC(c1c(N2CCC(NC)C2)nccc1)=O	2
+CC(C)(C)[Si](C)(C)OCC1OC2SC(=NC2C(O)C1O)N(C)C(=O)OC(C)(C)C	19
+CC(C)(C)OC(N(CC(=O)N1C(CC(C1)N=[N+]=[N-])C(=O)OC)C)=O	298
+CC(C)(C)OC(=O)N(CC(N(c1cccc(Cl)c1)CCCNC(OC)=O)=O)C	429
+CC(C)(C)OC(N(C)CCCC#Cc1c(N)ccc(c1)C(=O)Nc2ccc(c(c2)OC)OC)=O	121
+CC(C)(C)OC(=O)N(C)CCCCN(Cc1c(C)cc(cn1)C)Cc2nccc3c2cccc3	315
+C(COC)CCN(CCNC)c1c(-c2cccc(c2)CC)c(Cl)ccc1	2
+CC(C)(C)OC(N(CCN(C)Cc1c2cc(ccc2n(C3OCCCC3)n1)Oc4ccc(cc4)[N+](=O)[O-])C)=O	315
+CC(C)(C)OC(N(CCN(Cc1c(nn(C2OCCCC2)c1)-c3ccc(cc3)[N+](=O)[O-])C)C)=O	678
+CC(C)(C)OC(=O)N(CCN(Cc1nn(c2ccc(I)cc12)C3OCCCC3)C)C	315
+CC(C)(C)OC(N(CCN(CC1=Nc2ccc(cc2C(N1c3ccccc3)=O)[N+](=O)[O-])C)C)=O	4077
+CC(C)(C)OC(N(CCOCCNc1c(cnc2ccccc12)[N+](=O)[O-])C)=O	105
+CC(C)(C)OC(N(Cc1c(cccc1Br)N)C)=O	0
+CC(C)(C)c1onc(NC(n2c3c(cc2C)c(c(cc3)Oc4cc(CNC)ncn4)F)=O)c1	2
+CC(C)(C)OC(=O)N(C)Cc1cc(Oc2c(c3c(n(c(c3)C)C(Nc4cc(on4)C(C)(C)C)=O)cc2)F)ncn1	2121
+C1CN(CCO1)c2nc(-c3cc(ccc3)O)nc4c2sc(CNC)c4	2
+CC(C)(C)OC(=O)N(C)Cc1cc(F)c(C=NO)cc1	135
+CC(C)(C)OC(=O)N(C)Cc1ccc(c(F)c1)C=O	39
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)N	0
+CC(C)(C)OC(N(Cc1cccc(CCN)c1)C)=O	51
+CC(C)(C)OC(=O)N(C)Cc1cc2c(c(nc(n2)-c3cc(ccc3)O)N4CCOCC4)s1	2099
+FC(F)(F)c1cn2c(n1)c(ccc2)NC	7205
+CC(C)(C)OC(=O)N(C)c1cccn2c1nc(C(F)(F)F)c2Cl	2772
+CC(C)(C)OC(N(c1cc(Nc2nc(ncc2F)Nc3ccc(cc3)OCCOCOCCOC)ccc1)C)=O	55
+CC(C)(C)OC(N(c1ncnc(c1)NN)C)=O	1021
+CC(C)(C)OC(=O)N(C)c1cc(Nc2nc(ncc2F)Cl)ccc1	73
+CC(C)(C)OC(=O)N(C)c1cc(-n2c(N)c(cn2)C(=O)O)ncn1	6
+CC(C)(C)OC(=O)N(C1(CCC(CC1)Oc2ncnc3sc4CCC(CC(=O)N)c4c23)C)C	527
+C1CC(CCC1(C)NC)Oc2ncnc3sc4CCC(CC(=O)N)c4c23	2
+c1ccccc1CN2CC(NCc3c(F)cc(cc3)F)CC2C(=O)N4CCC(CC4)c5ccccc5	2
+C1C(CCCC1c2c3cc(NC(c4sccc4)=N)ccc3[nH]c2)NCC	2
+CC(C)(C)OC(=O)N(C1CC(CCC1)c2c[nH]c3ccc(NC(=N)c4sccc4)cc23)CC	1139
+CC(C)(C)OC(=O)N(C1CC(c2c3c(ccc(c3)N)[nH]c2)CCC1)CC	0
+CC(C)(C)OC(=O)N(C1CCC(=CC1)c2c[nH]c3ccc(cc23)N)C	0
+CC(C)(C)OC(=O)N(C1CCC(c2c3c(ccc(c3)NC(=N)c4sccc4)[nH]c2)=CC1)C	1139
+CC(C)(C)OC(N(Cc1ccc(cc1)-c2ccccc2)C3CC(C(=O)N(OC)C)CC3)=O	164
+C1CC(CCC1C#CCO)NC	2
+N(c1cc2c(C=3CCC(CC=3)NC)c[nH]c2cc1)C(c4sccc4)=N	2
+CN(C)C1CCC(=CC1)c2c3ncccc3[nH]c2	352
+C1CN(CCC1C(CCN2CCC(CC2)NCC3CC3)c4cc(F)cc(c4)F)S(=O)(=O)C	2
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2C(C=Cc3c2cccc3N)=O)Cc4cc5OCCOc5cc4	0
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2C(C=Cc3c2cccc3NC)=O)Cc4cc5OCCOc5cc4	7206
+C1N(CC1NC)c2c3nncn3c4c(n2)ncc(N)c4	2
+CC(C)(C)OC(=O)N(C1CN(C1)c2c3nncn3c4c(n2)ncc(N)c4)C	13
+CC(C)(C)OC(N(C1CN(C1)c2nc3ncc(cc3nc2NN)[N+](=O)[O-])C)=O	1386
+c1cc(ccc1[N+]([O-])=O)N2CC(CC2)NC	2
+CC(C)(C)OC(=O)N(C1CN(C1)c2c3n(ccn2)nnn3)C	2072
+CC(C)(C)OC(N(CC#C)CCNC(C)C)=O	285
+CC(C)(C)OC(N(CC=O)C(COC)C=C)=O	378
+CC(C)(C)OC(N(CCCc1ccc2cccnc2n1)CC(=O)OCC)=O	4078
+CC(C)(C)OC(N(CC(C(O)C1CCCCC1)N)C)=O	45
+CC(C)(C)OC(N(C)CC(CN(C(=O)OC(C)(C)C)C)O)=O	35
+Clc1cccc(c1)N(C(=O)CNC)CCCNC(OC)=O	255
+CC(C)(C)OC(=O)NC1CC(N(C(CN(C)C(=O)OC(C)(C)C)=O)C1)C(=O)OC	37
+C(=CCCC(=O)NCCNC(CNC)=O)CC=CCC=CCC=CCC=CCC=CCC	255
+CC(C)(C)OC(N(CC(NCC)=O)CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F)=O	9
+CC(C)(C)OC(N(Cc1ccccc1)CC(=O)Nc2ccc(cc2)-c3nc(sc3)N(C)C)=O	33
+CC(C)(C)OC(N(CCc1ccc(cc1)-c2ccc(c(CC(C)C)c2)C(OC)=O)CC(O)c3cccnc3)=O	11
+CC(C)(C)OC(N(c1nc(ccc1)CO)CC(OC(C)(C)C)=O)=O	194
+CC(C)(C)OC(=O)N(CC(O[Si](C)(C)C(C)(C)C)c1cnc(-n2c(ccc2C)C)cc1)CC3CCc4c(ccc(I)c4)O3	19
+CC(C)(C)OC(=O)N(CC(O)c1cnccc1)CCCc2ccc(cc2)-c3cc(c(cc3)C(=O)OC)OCC(C)C	11
+CC(C)(C)OC(N(CC1(c2ccccc2)CC1C=O)C)=O	24
+CC(C)(C)OC(=O)N(C1CCNCC1)CC2CC2	62
+CC(C)(C)OC(=O)N(c1n2ncc(Br)c2nc(Oc3ccccc3)c1)CC4CCOCC4	7207
+CC(C)(C)OC(=O)N(CCN1C(C(C(NC)=O)CC1)c2cc(nc(n2)-n3ccnc3)C)Cc4ccc5OCOc5c4	61
+CC(C)(C)OC(=O)N(Cc1ccc(c(c1)F)-c2cccc(C#N)c2)CCC(C)C	11
+CC(C)(C)OC(N(C)CCC1CCC(CC1)C(=O)O)=O	2773
+CC(C)(C)OC(=O)N(CCC1CCC(CC1)CO)C	59
+CC(C)(C)OC(N(CCCC(N1CCN(CC1)c2cc(nc(n2)C(C)(C)C)C3CCC3)=O)C)=O	10
+CC(C)(C)OC(=O)N(CCCCC(=O)O)c1ncccc1	4
+CC(C)(C)OC(=O)N(CCN1CCN(CC1)CCSc2oc3c(C(F)(F)F)cccc3n2)CCCCCCC	7208
+CCCN(CCC)CCCCNCc1ccc(cc1)CN(Cc2ncc[nH]2)Cc3nccn3C	2
+CC(C)(C)OC(=O)N(C)CCCCNCc1c(C)cc(C)cn1	294
+CC(C)(C)OC(=O)N(CC(O)=O)CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F	3
+n1c(NCCCNC)c(cnc1Cl)Br	2
+N(C)CCCc1cc2c(ccc(C(=O)Nc3ccc(OC)c(c3)OC)c2)[nH]1	2
+CC(C)(C)OC(=O)N1CCC(CC1)(C#N)c2ncccc2Br	7209
+CC(C)(C)OC(N(CCN(C)Cc1c2c(ccc(Oc3cc(Cl)ccc3)c2)n(C4OCCCC4)n1)C)=O	754
+CC(C)(C)OC(=O)N(CCN(c1cc2c(C(=O)N(CC(=O)O)C2=O)cc1)S(=O)(=O)C)CCOC	210
+C(NCCN1CCC(C(NC)=O)C1c2cc(nc(n2)-n3ccnc3)C)c4ccc5OCOc5c4	2
+C1CCCC1Oc2c(cc3c(N(CCNCc4ccccc4)C5=NC(=NC(C5=N3)=O)O)c2)C	2
+CC(C)(C)OC(=O)N1CC(OCC1)c2ccc(Br)c(c2)F	2774
+CC(C)(C)OC(N(Cc1c(cccc1)F)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N(CCOCCn1c(nc2c1c3ccccc3nc2N)CCOC)C	445
+CC(C)(C)OC(=O)N(CCOCCn1c2c3c(cccc3)[n+]([O-])cc2nc1CCOC)C	359
+CC(C)(C)OC(=O)N(CCOCCn1c(nc2c1c3ccccc3[n+]([O-])c2N)CCOC)C	574
+CC(C)(C)OC(=O)N(C(C)Cc1cc2CCN(CC(OCC)=O)c2c(C#N)c1)CCOc3c(cccc3)OCC	2319
+CC(C)(C)OC(=O)N(CCOc1ccc(cc1)N=C=S)CC	1034
+CC(C)(C)OC(=O)N(CCOc1ccc(cc1)N)CC	0
+N1(CCNCC1=O)CCc2ccc3c(c2)COC3=O	7210
+CC(C)(C)OC(=O)N(Cc1ccc(cc1)F)CCc2c(cc(cc2)N)Cl	0
+CC(C)(C)OC(N(CCc1ccc(cc1)-c2cc(NC(C)C)c(cc2)C(=O)OC)Cc3ccccc3)=O	11
+CC(C)(C)OC(N(Cc1ccccc1)CCc2ccc(cc2)Oc3ccc(cc3)[N+]([O-])=O)=O	46
+CC(C)(C)OC(=O)N(CCc1ccc(cc1)N)Cc2ccccc2	0
+CC(C)(C)OC(=O)N(CCc1ccc2c(COC2=O)c1)CC=O	2775
+CC(C)(C)OC(=O)N(CCc1cc2COC(=O)c2cc1)CCNCC(OCC)=O	1315
+CC(C)(C)OC(=O)N(CCc1ccccc1Cl)CCCSCCNCC(c2ccc(c3NC(Sc23)=O)O)O	110
+CC(C)(C)OC(=O)N(CCc1ccccc1Cl)CCCSCC=O	24
+CC(C)(C)OC(=O)N(Cc1cc(CCO)ccc1)CCc2ncccc2	168
+CC(C)(C)OC(=O)N(CCn1cc(cn1)-c2cc3nccc(Oc4ccc([N+]([O-])=O)cc4F)c3s2)C	4079
+CC(C)(C)OC(N(Cc1c(cccc1)N)C(C)C)=O	0
+CC(C)(C)OC(=O)N(Cc1nc2c(SCC(=O)N2C)cc1Cl)C3CCN(CC3)CCN4C(=O)C=Nc5ccc(cc45)OC	3395
+CC(C)(C)OC(N(C)Cc1ccc(OC)c(N)c1)=O	0
+CC(C)(C)OC(=O)N(Cc1cc(c(cc1)-c2ccc(cc2)N)C)CCC(C)C	0
+CC(C)(C)OC(=O)N(Cc1cc(c(-c2ccc(cc2)[N+](=O)[O-])cc1)C)CCC(C)C	11
+CC(C)(C)OC(=O)N(Cc1cc(c(-c2ccc(cc2)NS(=O)(=O)C)cc1)C)CCC(C)C	80
+CC(C)(C)OC(=O)N(Cc1ccc(c(c1)F)-c2cc(ccc2)C(=O)N=CN(C)C)CCC(C)C	2098
+CC(C)(C)OC(=O)N(Cc1ccc(-c2cccc(c2)C(N)=O)c(c1)F)CCC(C)C	216
+CC(C)(C)OC(=O)N(CCCCN(CCC)CCC)Cc1ccc(cc1)CN(Cc2n(C)ccn2)Cc3[nH]ccn3	566
+CC(C)(C)OC(=O)N(Cc1cn(c2c1ccc(c2)C(O)=O)S(=O)(=O)c3cnccc3)C	1
+CC(C)(C)OC(=O)N(C)Cc1cn(S(=O)(=O)c2cnccc2)c3c1ccc(c3)CO	49
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(cc5)CNCCOC)s4)ncc3	2
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)cc1)CCOC	680
+C1CN(CCC1NCc2c(Cl)cc3c(n2)N(C)C(CS3)=O)CCN4C(=O)C=Nc5ccc(cc45)OC	2
+CC(C)(C)OC(N1CC(CCl)c2c3c(ccc12)ccc(S(=O)(=O)C)c3)=O	4080
+CC(C)(C)OC(N(c1c(NC(COc2ccc(cc2)CC3SC(=O)NC3=O)=O)ccc(SC)c1)C)=O	33
+CC(C)(C)OC(=O)N(c1nc(c(cc1)C=O)F)Cc2cnc(OC)c(F)c2	687
+CC(C)(C)OC(=O)N(c1ccc(cc1)NC(=O)c2ccc(nc2Cl)C)CCc3ccccn3	246
+C1CCCCN1c2nc(ccc2C(=O)Nc3ccc(cc3)NCCc4ccccn4)C	396
+c1ccccc1COc2c(c(ccc2)NCC)[N+](=O)[O-]	396
+c1c2ccc(NC)cn2c(n1)C(=O)c3cc(C(=O)OC)c(cc3)[N+]([O-])=O	4081
+C1N(CC1)Cc2nccc(-c3cc(ccc3Oc4cc(F)c(S(=O)(=O)Nc5cscn5)cc4F)Cl)c2	7211
+CC(C)(C)OC(N(C1CN(Cc2ccc3c(CCO3)c2)CC1)c4ncc(C=CC(=O)OCC)cc4)=O	889
+CC(C)(C)OC(N(C1CN(CC1)Cc2ccc(cc2)OC)c3ncc(C=CC(=O)OCC)cc3)=O	48
+C1CC1CNc2cc(ccn2)-c3cccc(n3)C(Nc4c(C(N)=O)nn(C)c4)=O	2776
+CC(C)(C)OC(=O)N(c1nccc(-c2cccc(C(Nc3c(C(N)=O)nn(C)c3)=O)n2)c1)CC4CC4	2491
+CC(C)(C)OC(=O)N(c1nccc(-c2cccc(n2)C(=O)O)c1)CC3CC3	1
+CC(C)(C)OC(=O)N1C(=O)C(CC1)C	4082
+CC(C)(C)OC(N1C(C(=O)N(CC1)Cc2ccccc2)CCCC)=O	7212
+CCC(CC)c1cccc2NC(=O)N(CC(OCC)=O)c12	7213
+O=Cc1c2CCNC(c2c[nH]1)=O	7214
+CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC(N)=O	327
+CC(C)(C)OC(N1C(C(=O)O)CC(CCNC(=O)C=C)C1)=O	4
+CC(C)(C)OC(=O)N1CCn2c3c(cc(c(S(=O)(=O)C)c3)COC)nc2C1C(C)C	49
+CC(C)(C)OC(=O)N1C(CN(CC1)c2c3cc(C#N)c(Cl)cc3ncn2)C(N)=O	1572
+CC(C)(C)OC(=O)N1C(CN(c2c3c(cc(Cl)c(C4CC4)c3)ncn2)CC1)C(N)=O	365
+CC(C)(C)OC(N1C2CC(C1C(N3C(C#N)CCC3)=O)CC2OCC(=O)O)=O	3
+CC(C)(C)OC(N1CCCC1C(N2CCCC2C(O)COc3ccccc3)=O)=O	4083
+CC(C)(C)OC(=O)N1CCCC1C(N)=O	83
+CC(C)(C)OC(N1CCCC1C(=O)NC(Cc2ccccc2)C(=O)NC(CCCNC(N[N+]([O-])=O)=N)C(O)=O)=O	207
+CC(C)(C)OC(N1CCCC1C(=O)Nc2cc(ccc2)-c3ccc(cc3)Cl)=O	33
+CC(C)(C)OC(N1C(C(NCCCc2ccccc2)=O)CCC1)=O	9
+CC(C)(C)OC(N1C(CCC1c2ccccc2)C(Nc3nc(cs3)-c4ccc(cc4)C(NC5CC5)=O)=O)=O	373
+CC(C)(C)OC(=O)N1C(C(N)=O)CN(c2ncnc3c2cc(c(Cl)c3)Br)CC1	1360
+CC(C)(C)[Si](C)(C)OCC1C(CCN1C(=O)OC(C)(C)C)O	19
+CC(C)(C)OC(N1CC(N)CC1C(OCC)=O)=O	18
+c1ccccc1CONC2CCC(NC2)C(OCC)=O	4084
+CC(C)(C)OC(=O)N1C(C)(C)CNC2(CCCC2)C1	25
+FC(F)(F)c1c(CN2CCNC(C)(C)C2)ccc(N3CCOCC3)c1	2
+CC1(C)NCCN(c2ccc(cc2OC)[N+](=O)[O-])C1	2
+CC1(C)NCC(N(c2c(C)cccc2)C1)=O	255
+CC(C)(C)OC(=O)N1C(C)(C)CN(c2c(OC)cc(cc2)[N+](=O)[O-])CC1	34
+CC(C)(C)OC(=O)N1C(C)(C)CN(CC1)Cc2ccc(N3CCOCC3)cc2C(F)(F)F	48
+CC(C)(C)OC(=O)N1CCN(Cc2ccc(cc2)C(C)Nc3nc(N4C(=O)OCC4C(C)C)ccn3)CC1(C)C	48
+CC(C)(C)OC(NC(CC1COCCC1)CO)=O	2777
+c1cc(ccc1)C(C)=CCC(CO)N	2122
+CC(C)(C)OC(N1C(C)CCC(C(NOC(c2ccc(cc2)F)=O)=N)C1)=O	7215
+CC(C)(C)OC(=O)N1CC(C(O)=O)CCC1C	4
+CC(C)(C)OC(N1C(C)CCC(C1)COC)=O	21
+C1CC1NC(c2cc(-c3cc4C(=CN(CC5CC5)C(c4cc3)=O)CN6CCNC(C)C6)c(c(F)c2)C)=O	2
+CC(C)(C)OC(N1C(CN(Cc2cnc(cc2)NC)CC1)C)=O	565
+CC(C)(C)OC(=O)N1CCN(c2cnc(cc2)[N+]([O-])=O)CC1C	244
+C1CC1C2CN(CCN2)c3nc(C4CC4)c(N(C)c5ccnc(Cl)c5)cc3C#N	2
+CC(C)(C)OC(=O)N1C(CN(CC1)c2nc(c(cc2C#N)Nc3cc(ncc3)Cl)C4CC4)C5CC5	1674
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3cnc(C4N(C(OC(C)(C)C)=O)C5CCC4C5)[nH]3	17
+CC(C)(C)OC(=O)N1CCCC1C(COc2ccccc2)O	626
+Fc1cc(cc(F)c1)CC2NC(OC2C3NCc4c(C3)cccc4)=O	2
+CC(C)(C)OC(=O)N1CC(N(OCC=C)S(=O)(=O)c2c(cccc2)[N+](=O)[O-])C(=CC1COC)C(=O)N(C)C	76
+CC(C)(C)OC(=O)N1C(CCOC)CCCC1	21
+CC(C)(C)OC(N1C(C(=O)N2CCSC2)CC(CN)C1)=O	51
+CC(C)(C)OC(=O)N1C(CO)CC(OC)C1	35
+O=S(=O)(C1CC(NC1)C(=O)NC2(CC2)C#N)c3ccccc3Cl	255
+CC(C)(C)OC(N1CCCCC1Cc2cn3c(n2)cc(C(F)(F)F)cc3)=O	3258
+CC(C)(C)OC(N1CC(CC1CO)N)=O	18
+CC(C)(C)OC(=O)N1CC(CC1C(OCC)=O)O	27
+CC(C)(C)OC(N1CC(CC1C(NC2(CC2C=C)C(=O)OCC)=O)O)=O	188
+CC(C)(C)OC(N1C(CC(O)C1)C(N)=O)=O	83
+CC(C)(C)OC(N1CC(CC1COc2c3c(ncnc3cc(c2)OC)Nc4cc(c(F)cc4)Cl)O[Si](C)(C)C(C)(C)C)=O	3431
+CC(C)(C)OC(=O)N1C(CCC(O)=O)CC(Oc2c3c(c(-c4ccccc4)oc3ncn2)-c5ccc(cc5)OC)CC1	4
+CC(C)(C)OC(=O)N1CCC1CN	18
+CC(C)(C)OC(N1C(C)(CC2(CC2)CC1)C(=O)NC(C)c3ccc(cc3)C(=O)OC)=O	9
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	273
+CC(C)(C)OC(=O)N1C(CC(F)(F)C1)CCC(=O)O	3
+CC(C)(C)OC(N1C(CCOC)CCC(C1)N(C(OCc2ccccc2)=O)C(C)C)=O	76
+c1cc(ccc1)-c2c(c3c(ncnc3o2)OC4CC(CCC(O)=O)NCC4)-c5ccc(cc5)OC	2
+c1cc(ccc1Cl)CC=2c3ccccc3C(N(N=2)CC4NCCC4)=O	2
+c1ccccc1Cc2ccc(cc2)OCC3NCCC3	2
+c1ccccc1Oc2ccc(cc2)OCC3NCCC3	2
+c1(Cl)c(Cl)nc2c(oc(C3NCCC3)c2)c1	2
+CC(C)(C)OC(=O)N1C(CCC1)c2nn(-c3cccc(c3)C#N)nn2	160
+c1(cccc(C#N)c1)-n2nc(C3NCCC3)nn2	2
+CC(C)(C)OC(=O)N1C(CCCC1)CCOc2c3cc(c(cc3nc(O)c2-c4cc(C)cc(C)c4)Cl)N	0
+Cc1cc(cc(C)c1)-c2c(c3c(nc2O)cc(Cl)c([N+]([O-])=O)c3)OCCC4CCCCN4	2
+Cc1cc(cc(C)c1)-c2c(O)nc3c(cc(c(c3)Cl)NC(NC4CC4)=O)c2OCCC5CCCCN5	2
+CC(C)(C)OC(=O)N1CCCCC1CCNc2nccc(O)c2[N+]([O-])=O	70
+CC(C)(C)OC(=O)N1C(CCNc2c3c(ccn2)oc(Cc4cc(Cl)ccc4-n5cncn5)n3)CCCC1	7216
+n1c(Cc2cc(Cl)ccc2-n3ncnc3)oc4c1c(NCCC5NCCCC5)ncc4	2
+CC(C)(C)OC(N1CCCCC1CCO)=O	88
+c1cc(ccc1-c2[nH]c3cc(ccc3n2)C(N)=O)OCCC4CCCCN4	2
+c1cc(ccc1NS(=O)(=O)c2cccc3cnccc23)CCC(N)CO	2122
+CC(C)(C)OC(=O)N1CCN(CC1CCOS(=O)(=O)C)C(OCc2ccccc2)=O	7
+C1C(NCCN1c2ncnc3cc(Cl)c(cc23)C#N)C(=O)N	255
+CC(C)(C)OC(=O)N1C(C2CC2)CN(c3c(cc(N(C)c4ccnc(Cl)c4)c(C5CC5)n3)C#N)CC1	4085
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(=O)O)C	4
+CC(C)(C)OC(N1C(C)CN(c2c3CN(CCc3nc(-c4c(C)cccc4C)n2)Cc5ccccc5)C(C)C1)=O	345
+CC(C)(C)OC(=O)N1C(CNC(=O)C(F)(F)F)C2CCC1C2	605
+CC(C)(C)OC(=O)N1CCCC1CNc2ccn3nccc3n2	2447
+C(N1C(=O)c2c(cccc2)C(=N1)Cl)C3NCCC3	2
+FC(F)(F)C(NCC1NC2CC1CC2)=O	2
+C1C(NCC1)(CNCc2c(Cl)cccc2)C	2
+c1cc(ccc1)-c2cc(Oc3ccc(cc3)C#N)c(NCC4NCCC4)cc2	2
+CC(C)(C)OC(N1C(COC1(C)C)CC(COS(=O)(=O)c2ccc(cc2)C)CCCO)=O	2764
+CC(C)(C)OC(=O)N1C(CCc2ccc(cc2)NS(=O)(=O)c3cccc4cnccc34)COC1(C)C	69
+CC(C)(C)OC(N1C(C)(C)OCC1CCc2ccc(cc2)Nc3ccc(cc3)Cl)=O	230
+c1cc(ccc1F)N2CCN(CC2)C(OCC3NCCOC3)=O	2
+CC(C)(C)OC(N1C(Cc2cc([N+](=O)[O-])ccc2C1)C(O)=O)=O	3
+CC(C)(C)OC(=O)N1Cc2[nH]c3c(c2CC1C(N)=O)cccc3	83
+CC(C)(C)OC(N1C(Cc2c(n(c3c2cccc3)Cc4ccc(cc4)F)C1)C(=O)O)=O	190
+CC(C)(C)OC(N1C(Cc2c(C1)n(c3ccccc23)Cc4ccc(cc4)F)CN)=O	15
+C(C1CCCCN1)c2nc3ccccc3o2	2
+c1ccccc1Oc2cc(c(cc2)-c3nn(CC4NCCC4)c5ncnc(N)c35)F	2
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(ncnc4N)n(CC5NCCC5)n3)F	2
+c1cc(ccc1-c2c3c(ncnc3N)n(CC4NCCC4)n2)Oc5cc(F)cc(c5)F	2
+CC(C)(C)OC(=O)N1C(=O)N(CC(=O)OCC)c2c(cccc12)C(CC)CC	4073
+CC(C)(C)OC(=O)N1C(=O)c2c(c([nH]c2)C=O)CC1	413
+O(c1ncc(F)cc1C2CCCN2)C	2
+CC(C)Oc1c(cc(cc1)-c2onc(-c3cc4c(C(CCC(=O)OC)NCCC4)cc3)n2)Cl	2
+CC(C)(C)OC(=O)N1C(c2nc(no2)N3CCC(CC3)C(C)CCOc4ccc(cc4)S(=O)(=O)C)CCC1	20
+c1cc(ccc1OCCC(C2CCN(CC2)c3nc(on3)C4NCCC4)C)S(=O)(=O)C	2
+CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]ccc23)CC14CC4	778
+C1CN(CCC12NCCCC2)C(c3ccc(cc3)-c4cn5c(-c6ccc(cc6)C#N)cnc5cc4)=O	2
+C12C(NCC1)CN(C)C2	2
+CC(C)(C)OC(=O)N1CC2CC1C(c3onc(C)c3)=CC2	7217
+[N-]=[N+]=NCC1C2NC(CC2)C1	2
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(COS(=O)(=O)C)C3CCCCC3	7
+CC(C)(C)OC(N1C2CC(CC1CC2)(c3ccccc3)CO)=O	21
+CC(C)(C)OC(N1C2CCC1CC(C2)C#[N+]CS(=O)(=O)c3ccc(cc3)C)=O	1141
+CC(C)(C)OC(N1C2CCC1CC(C2)NC(CCCc3cnn[nH]3)=O)=O	9
+CC(C)(C)OC(N1C2CC2CC1CN)=O	273
+CC(C)(C)OC(N1C(C=O)CC2CC12)=O	24
+CC(C)(C)OC(=O)N1C2CC(CC1CC2)(C3CCCCC3)CO	21
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(CSC)C3CCCCC3	786
+CC(C)(C)OC(N1C2CC(CC1CC2)(Cn3cncn3)C4CCCCC4)=O	7218
+C1C2CCC(CN1c3ncccc3Cl)N2	2
+CC(C)(C)OC(N1C2CCCC2CC1C=O)=O	24
+C1CCC2NC(N(C)C12)=O	7219
+CCOC(=O)c1c(C)nc(s1)N2CC3C2CCN3	2
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4CC5CCC(C4)N5	2
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)c3cc4C(C(C(N(C(C)=O)c4cc3)C)C)Nc5ccccc5	250
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)c3ccc4N(C(C)=O)C(C)C(C)C(c4c3)N	102
+CC(C)(C)OC(=O)N1C2CCC1CN(C2)c3ccnc(Nc4cc(C)c(C(OCC)=O)nc4)n3	949
+CC(C)(C)OC(=O)N1C2CCC1CN(C2)c3c(cccn3)Cl	323
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)C(=O)OCC3c4c(-c5c3cccc5)cccc4	66
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)c3ccc4c(c3)C(NC(=O)OCc5ccccc5)C(C(C)N4C(C)=O)C	79
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)c3ccnc(n3)Cl	54
+CC(C)(C)OC(N1Cc2c(nc(nc2)SC)C1)=O	7220
+CC(C)(C)OC(=O)N1Cc2c(C3(CCC3)C)[nH]nc2CC1	3403
+CC(C)(C)OC(N1CC(CCC1C)C(=O)C)=O	591
+CC(C)(C)OC(=O)N1CC(CC(CO)C1)N(C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C)C	21
+CC(C)(C)OC(=O)N1CC(C(=O)OC)CC(NCC(C)C)C1	110
+CC(C)(C)OC(N1CC(N(CC(C)C)C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C(=O)OC)C1)=O	7221
+CC(C)(C)OC(=O)N1CC(C(OC)=O)CC(N(CC(C)C)C(=O)c2nc3c(cccc3)[nH]2)C1	7222
+CC(C)(C)OC(=O)N1CC(C(=O)OCC)C(NC(=O)OCc2ccccc2)C1	101
+CC(C)(C)OC(N1CC(NC(=O)OCc2ccccc2)C(C(O)=O)C1)=O	3
+CC(C)(C)OC(N1CCN(C(C(=O)OCC)C1)S(=O)(=O)c2ccc(cc2)OCC#CC)=O	1387
+CC(C)(C)OC(N1CCN(S(=O)(=O)c2ccc(cc2)F)C(C(=O)OCC)C1)=O	1387
+CC(C)(C)OC(=O)N1CC(C(C(=O)OCC)C1)CNC(C)C	110
+CC(C)(C)OC(=O)N1CC(C(CN(C(C)C)C(=O)c2cc(c(cc2)OC)OCCCOC)C1)C(=O)OCC	30
+c1ccccc1CC2C(CNC2)CN(C(C)C)C(=O)C3CC(Nc4ccccc34)=O	2
+CC(C)(C)OC(=O)N1CC(C(=O)N2CC(CCC2)Cc3ccc(cc3)F)C(NC(Nc4cccc(C(C)=O)c4)=O)CC1	282
+CC(C)(C)OC(=O)N1CCC(C(C(N2CC(CCC2)Cc3ccc(cc3)F)=O)C1)NC(OCc4ccccc4)=O	10
+c1ccccc1COC(=O)NC2C(CNCC2)OC	2
+c1ccccc1COC(NC2CN(c3nc(c(C(OCC)=O)s3)C)CCC2NC(c4[nH]c(Cl)c(CC)n4)=O)=O	4086
+CC(C)(C)OC(=O)N1CC(C(O)=O)C(C1)CN(C(C)C)C(=O)c2cc(c(cc2)OC)OCCCOC	3
+CC(C)(C)OC(=O)N1CC(C(C1)CN(C(C)C)C(C2CC(Nc3ccccc23)=O)=O)Cc4ccccc4	10
+CC(C)(C)OC(N1CC(c2ccccc2)C(C1)C=O)=O	24
+CC(C)(C)OC(N1CC(C(OCC)=O)C(C1)CO)=O	21
+CC(C)(C)OC(=O)N1CC(CN(C(C)C)C(c2cc(c(cc2)OC)OCCCOC)=O)C(CO)C1	21
+CC(C)(C)OC(N1CC(C(=O)NCc2ccccc2)C(CN(C(=O)c3cc(c(cc3)OC)OCCCOC)C(C)C)C1)=O	9
+CC(C)(C)OC(N1CC(C(=O)Nc2cc(Cl)ccc2O)CCC1C)=O	33
+CC(C)(C)OC(=O)N1CC(C(=O)N(C)OC)CCC1C	164
+c1(-c2cc(ccc2)CN3C(CNCC3)C(=O)O)ccnc(Cl)n1	2
+CC(C)(C)OC(=O)N1CCCC(C(OCC#N)c2cc(Cl)cc(c2)F)C1	4087
+CC(C)(C)OC(N1CC(C(CC1)=O)OC)=O	7223
+CC(C)(C)OC(=O)N1CC(N(C(=O)c2n(c3c(cccc3)n2)CCCCOC)CC(C)C)CC(C1)C(=O)OC	4088
+Clc1cccc(C=CC(=O)N2C(C(OC)=O)CNCC2)c1	2
+CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O	74
+CC(C)(C)OC(N1CCOC(c2ccc(c(Cl)c2)Cl)C(CNS(=O)(=O)C)C1)=O	111
+CC(C)(C)OC(=O)N1CC(C=O)C(CC1)c2ccc(cc2)F	24
+CC(C)(C)OC(=O)N1CCC(c2ccc(cc2)OCCCOCc3c(F)cccc3)C(=NOCc4ccccc4)C1	350
+CC(C)(C)OC(=O)N1CCC(C(C)(C)C1)N	316
+CC(C)(C)OC(=O)N1CC(C)(C)C(Cc2ccc(cc2)Cl)(CC1)O	3892
+CC(C)(C)OC(=O)N1CCC(C(C)(C)C1)NCc2ccccc2	87
+c1cc(ccc1CC2(O)CCNCC2(C)C)Cl	2
+CC(C)(C)OC(=O)N1CC(C)(C)c2cc(c(Cc3ccc(cc3)F)cc12)C#N	160
+CC1(C)c2c(NC1)cc(c(C#N)c2)Cc3ccc(cc3)F	396
+CC(C)(C)OC(=O)N1CC(CCC1CNCc2ccccc2)C	110
+c1(-c2ccsc2)cc(cc(c1)N3C(CNCC3)C)F	2
+CC(C)(C)OC(N1CC(N(c2c3CN(c4cc(C(C)C)ccc4C)CCc3nc(n2)-c5c(C)cccc5C)CC1C)C)=O	908
+CN(C)C(c1cc(Cl)cc2c1oc(N3CCNCC3C)n2)=O	2
+CC(C)(C)OC(=O)N1CC(N(c2nc3c(c(cc(Cl)c3)C(=O)OCC)o2)CC1)C	2647
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1C)c(C(=O)N4C(CN(CC4)C(OC(C)(C)C)=O)C)cn2	2778
+CC(C)(C)OC(=O)N1CC(C)N(c2cc(-c3cscc3)cc(F)c2)CC1	79
+CC(C)(C)OC(N1CC(C)N(CC1)c2ccc([N+]([O-])=O)nc2)=O	244
+CC(C)(C)OC(N1CC(N(Cc2ccc(cc2)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5)CC1)C)=O	48
+CC(C)(C)OC(=O)N1CCN(C(C)C1)c2c3c(nc(n2)N)ccc(n3)-c4ccc(cc4)F	7224
+CC(C)(C)OC(N1CC(N(CC1)Cc2ccccc2)C)=O	131
+CC(C)(C)OC(N1CC(N(CC1)c2c3c(COC3C)ncn2)C)=O	54
+CC(C)(C)OC(N1CC(C1)(C2N(CCCC2)C)CN)=O	51
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2n3ncc(-c4cnn(C5(CNC5)CC#N)c4)cc3nc2	2
+C1NCC1(C2CCCCN2C)CNC(=O)c3c(ccc(F)c3Cl)F	2
+CC(C)(C)OC(N1CC(C1)C2CCN(CC2)C(=O)c3sccn3)=O	1999
+CC(C)(C)OC(=O)N1CC(C1)CNc2nc(nc3c2scc3)Cl	3925
+C1C(CN1)CNc2nc(nc3c2scc3)Cl	2
+CC(C)(C)OC(N1CC(C1)COS(=O)(=O)C)=O	7
+FC(F)(F)C(N1CC(C1)Cc2c(OC)cccc2)=O	7225
+C1NCC1Cc2onc(-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)n2	2
+FC(F)c1sc(C(Nc2n(CC3CNC3)c4ccccc4n2)=O)cc1	2
+C1NCC1N(C)C(C)(C)C(N)=O	2
+C1NCC1N2CCNC(=O)C2	2
+CC(C)(C)OC(N1CC(C1)N2CCN(CC2)C(CNc3c(OC)cc(Cl)c(I)c3)=O)=O	10
+C1COCCN1C2CNC2	2
+C1NCC1NC(Nc2cc(F)c(cc2)Oc3c4c(ncc3)cc(s4)-c5ccc(cn5)C6OCCO6)=O	2
+CC(C)(C)OC(N1CC(C1)Oc2ccc(Br)c(c2)[N+]([O-])=O)=O	624
+CC(C)(C)OC(=O)N1CC(C1)Oc2c3c([nH]cc3)c(cc2)C#N	2779
+CC(C)(C)OC(N1CC(C1)c2c(OC)c(cc(Cl)c2C)C(C)N)=O	1354
+CC(C)(C)OC(=O)N1CC(C1)c2c(c(cc(c2F)Cl)C(O)C)OC	74
+C1NCC1c2nc(no2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C	2
+CC(C)(C)OC(N1CCC(C1)c2cc(Cl)n3c(ccn3)n2)=O	1591
+CC(C)(C)OC(=O)N1C(C(=O)OC)CC(CCO)C1	21
+CC(C)(C)OC(N1CC(N(CC(C)C)C(=O)c2nc3c(cccc3)n2CCCCOC)CC(C1)C=4NOC(=O)N=4)=O	7226
+CC(C)(C)OC(N1CC(CC(C(N2CCOCC2)=O)C1)NS(=O)(=O)c3c(cccc3)[N+](=O)[O-])=O	71
+CC(C)(C)OC(N1CC(O[Si](C)(C)C(C)(C)C)CC(C1)CN=[N+]=[N-])=O	600
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	18
+CC(C)(C)OC(N1CC(C(=O)N)CC(N(C(c2n(c3c(cccc3)n2)CCCCOC)=O)CC(C)C)C1)=O	83
+CC(C)(C)OC(N1CC(CC(N(C(c2nc3c(cccc3)n2CCCCOC)=O)CC(C)C)C1)c4onc(C)n4)=O	1166
+CC(C)(C)OC(N1CC(C(=O)O)CC(N=[N+]=[N-])C1)=O	4
+CC(C)(C)OC(=O)N1CC(CC1)(N2CCC(CC2)Nc3cc(c(F)cc3[N+](=O)[O-])C)C	60
+CC(C)(C)OC(=O)N1CCC(C)(N2CCC(CC2)=O)C1	86
+c1cc(ncc1Br)C(=O)C2CCNC2	2
+C(C1CCNC1)C(OCC)=O	2
+C1N(C(=O)CC)CCC1CC(OCC)=O	1324
+CC(C)(C)OC(=O)N1CC(CS(Cc2ccc(cc2)F)=O)CC1	441
+CC(C)(C)OC(=O)N1CCC(N(Cc2ccc(cc2)Cl)CC(NCC)=O)C1	9
+C1CN(CCN1C(=O)Nc2cc(Cl)c(Cl)cc2)C3CNCC3	2
+O=S(=O)(N)c1cc(c(NC2CCNC2)cc1)[N+]([O-])=O	2
+c1(ncnc2n(c(nc12)C(=O)OC)CC)NC3CNCC3	2
+CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(cc3)Oc4ccccc4)c5c2ncnc5N)C1	2123
+CC(C)(C)OC(=O)N1CC(F)CC1C#N	2124
+CC(C)(C)OC(N1C(CC(C1)F)C(=O)NCc2ncc(c(-c3ccc(nc3)C(F)(F)F)c2)Cl)=O	9
+CC(C)(C)OC(N1C(C(=O)NCc2cc(C(OC)=O)cc(Cl)c2F)CC(C1)F)=O	9
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)CCP(OCC)(OCC)=O	1586
+CC(C)(C)OC(N1C(CC(C1)Nc2c3c(cccc3)nc(-c4ccccc4OC)n2)C(OC)=O)=O	40
+N1(CCSC1)C(=O)C2NCC(CNC(c3cccc(-c4nnn[nH]4)c3)=O)C2	255
+CC(C)(C)OC(=O)N1CC(OC)CC1C(=O)Nc2ccc(cc2F)-n3ccc(C)n3	33
+CC(C)(C)OC(=O)N1CC(OC)CC1C(=O)Nc2c(cc(N3CCCCC3=O)cc2)F	33
+CC(C)(C)OC(=O)N1CC(c2ccccc2)CC1COC	21
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)c2ccc(cc2)C)CC1C(OCC)=O	36
+c1cc(ccc1)C2CNC(C)C2	2
+CC(C)(C)OC(N1C(CC(NS(=O)(=O)c2c(ccc(Br)c2)OC)C1)CN3C(c4ccccc4C3=O)=O)=O	71
+CC(C)(C)OC(N1CC(c2ccccc2)CC1COS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1CCCC(c2nc(-c3cc(C(C)C)c[nH]3)on2)C1)=O	3786
+CC(C)(C)OC(=O)N1CC(CCC1)C(c2cc(ccc2C)F)O	74
+CC(C)(C)OC(=O)N1CC(C(O)c2cc(cc(c2)Cl)F)CCC1	74
+CC(C)(C)OC(N1CC(C#N)CCC1)=O	143
+CC(C)(C)OC(=O)N1CCCC(C(c2cc(ccc2C)F)OCC#N)C1	4087
+CC(C)(C)OC(=O)N1CCCC(C1)CNc2c3nccnc3cc(-c4cn(Cc5ccccc5)nc4)n2	1675
+CC(C)(C)OC(=O)N1CCCC(COc2ccccc2O)C1	16
+c1cc(ccc1-n2c(nc3c(NC4CCCNC4)ncnc23)-c5c(cccc5)Cl)Cl	2
+CC(C)(C)OC(N1CC(CCC1)c2cc(nc(N)c2C(N)=O)-c3ccccc3OCc4ccccc4)=O	4089
+FC1(F)Oc2ccc3c4n(nc(C5CNCCC5)n4)c(N)nc3c2O1	2
+CC(C)(C)OC(N1C(CCC(C1)C#N)C)=O	143
+CC(C)(C)OC(=O)N1C(CCC(N(C(OCc2ccccc2)=O)C(C)C)C1)CCO	21
+CC(C)(C)OC(N1CC(C)CCC1CN)=O	273
+CC(C)(C)OC(=O)N1c2cc(OC(=O)C)c3c(cccc3)c2C(CCl)C1	385
+CC(C)(C)OC(N1CC(c2c1cc(N)c3ccccc23)CCl)=O	0
+CC(C)(C)OC(N1CC(C(CN(C(=O)c2cc(c(cc2)OC)OCCCOC)C(C)C)C1)CNC(C)C)=O	110
+CC(C)(C)OC(=O)N1CC(CN(C(C)C)C(=O)c2cc(c(cc2)OC)OCCCOC)C(C=O)C1	24
+CC(C)N(CC1CNCC1CO)C(c2ccc(c(c2)OCCCOC)OC)=O	2
+CC(C)(C)OC(N1CCCC(CNc2c(cnc(n2)NCc3cc(c(F)cc3)F)[N+](=O)[O-])C1)=O	96
+CC(C)(C)OC(N1CCCC(F)(C1)CNc2nc(cc3c2cccn3)-c4cn(nc4)CC)=O	1675
+CC(C)(C)OC(N1CCC(C(COc2c(cc(I)cc2)C#N)C1)c3ccc(cc3)Cl)=O	57
+CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(N1CC(C=O)CC1)=O	24
+CC(C)(C)OC(=O)N1CCC(C1)COc2c(I)nc(c(Br)c2)Cl	1286
+CC(C)(C)OC(N1CC(COS(=O)(=O)C)CC1)=O	7
+CC(C)(C)OC(N1CC(CCC1)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1CC(CCC1)COc2ccccc2OCc3ccccc3	126
+CC(C)(C)OC(N1CC(N(Cc2ccccc2)CC1C)CO)=O	48
+CC(C)(C)OC(N1c2c(c3cccnc3c(OCc4ccccc4)c2)C(COS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(=O)N1CC(COCc2ccc(cc2)OC)N(c3ccc(cc3)OCCCOCc4ccc(cc4)Cl)CC1	555
+c1cc(ccc1N2CCNCC2COCc3ccc(cc3)OC)OCCCOCc4ccc(cc4)Cl	2
+c1cc(ccc1)COCC2CNCC(=O)N2c3ccc(cc3)OCCCOCc4c(cccc4)OC	255
+CC(C)(C)OC(=O)N1CC(c2cc(OC)ccc2C1)CC#N	300
+CC(C)(C)OC(N1CC(COc2nc(-c3cnn(c3)CC)cc4c2cccn4)(CCC1)F)=O	1675
+c1cc(ccc1)CS(=O)CC2CNCC2	2
+c1cc(ccc1CS(CC2CNCC2)=O)F	2
+CC(C)(C)OC(=O)N1CC(CS(=O)Cc2ccccc2)CC1	441
+CC(C)(C)OC(N1CC(Cc2ccccc2)C(C=O)(F)C1)=O	24
+C1CC1C#Cc2cnc(nc2)N3CCN(CC3)c4nc(ncn4)Nc5cn(nc5)CC6CNCCO6	2
+CC(C)(C)OC(=O)N1CCCC(F)(C1)CN	18
+CC(C)(C)OC(=O)N1CC(F)(F)C(CC(=O)OCC)CC1	774
+CC(C)(C)OC(N1CC(F)(F)C(CCO)CC1)=O	44
+CC(C)(C)OC(=O)N1C(CCC(=O)OCC)CC(F)(F)C1	783
+CC(C)(C)OC(N1CC(F)(F)CC1C=O)=O	24
+C1CN(CCO1)C2C(CNCC2)F	2
+CC(C)(C)OC(=O)N1CC(CC(N(C(=O)c2nc3ccccc3n2CCCCOC)CC(C)C)C1)C(=O)O	4
+CC(C)(C)OC(=O)N1CC(COCc2ccccc2)N(C(=O)C1)c3ccc(cc3)OCCCOCc4c(cccc4)OC	149
+CN(C)C1CN(CCC1NC(=O)c2nc(c(Cl)[nH]2)CC)c3sc(C(OCC)=O)c(C)n3	4086
+CC(C)(C)OC(=O)N1CC(C)N(c2nc3c(c(cc(Cl)c3)C(N(C)C)=O)o2)CC1	1859
+CC(C)(C)OC(=O)N1CC(CC1)N(Cc2ccc(cc2)Cl)CC(=O)O	4
+c1cc(ccc1CN(C2CNCC2)CC(=O)OC)Cl	2
+O=S(=O)(c1ccccc1[N+](=O)[O-])N(OCC=C)C2CNC(COC)C=C2C(N(C)C)=O	366
+O=S(=O)(c1c(cccc1)[N+]([O-])=O)N(OCC=C)C2CNC(C(=O)N)C(C)=C2	7227
+CC(C)(C)OC(=O)N1CC(N(CC1)c2oc3c(cc(cc3C(=O)O)Cl)n2)C	6
+CC(C)(C)OC(=O)N1CC(CO)CC(C1)N2c3cccc(Cl)c3-c4noc(c4C2=O)C	647
+CC(C)(C)OC(N1CC(CNC(=O)c2ccccc2)CC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C1)=O	93
+CC(C)(C)OC(=O)N1C(CC(N=[N+]=[N-])C1)CO	95
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N	18
+C1C(N=[N+]=[N-])CNC1Cc2c3c(cccc3)[nH]c2C	2
+C1C(CCCN1)NC(=O)NC2C3C(OC2)C(CO3)Oc4c(nccc4)C	2
+CC(C)(C)OC(=O)N1CC(C(CC1)NC(c2[nH]c(Cl)c(CC)n2)=O)NC(OCc3ccccc3)=O	855
+CC(C)(C)OC(N1C(CC(C1)NC(=O)c2ccc(s2)Cl)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1CC(CC(C(=O)N2CCOCC2)C1)N	102
+CC(C)(C)OC(N1CC(N(CCC1)Cc2ccccc2)=O)=O	806
+Clc1ncc(F)c(NC2CCCNC2)n1	2
+CC(C)(C)OC(=O)N1CC(n2c3c(cnc4c3scc4)nc2C(C)O)CCC1	7228
+CC(C)(C)OC(=O)N1CC(Nc2c(N)cnc3c2scc3)CCC1	13
+CC(C)(C)OC(=O)N1CCCC(N(C)c2ncc(C#N)c3sc(Br)cc23)C1	1347
+CC(C)(C)OC(N1CCC(N(c2c3ccccc3cc(C#N)n2)C)C1)=O	1347
+CC(C)(C)OC(N1CC(OS(=O)(=O)C)CC(C1)C(OC)=O)=O	7
+C[Si](C)(C)CCOCn1c(nc(-c2ccc(cc2)Br)c1)C3N(C(=O)OC(C)(C)C)CC(C3)O	1073
+c1cc(ccc1C2C(OC(NCCCC)=O)CNC2)F	2
+C1(OC)C(CCNC1)N=[N+]=[N-]	2
+c1(ccc(NC(=O)C2NCC(OC)C2)c(F)c1)N3CCCCC3=O	255
+COC1CNC(C1)C(Nc2c(F)cc(cc2)-n3nc(C)cc3)=O	255
+CC(C)(C)OC(=O)N1CC(OCC1)C(NCCc2cc(OC)c(NC(=O)Nc3ncc(C#N)nc3)cc2Cl)=O	446
+CC(C)(C)OC(=O)N1CC(OCC1)C(NCCc2c(cc(c(OC)c2)N)Cl)=O	0
+c1cc(ccc1Cl)NC(=O)NCC2CNCCO2	2
+O1CCN(CC1CO)C	352
+CC(C)(C)OC(N1CC(COS(=O)(=O)C)OCC1)=O	7
+c1cc(ccc1N2CCOCC2)-c3nc(OCC4CNCCO4)c5c(nccn5)c3	2
+CC(C)(C)OC(N1C(C(=O)OC)CC(O)C1)=O	118
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1C(=O)OC	298
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1Cc2c(C)[nH]c3c2cccc3	298
+CC(C)(C)OC(=O)N1C(C(OCC)=O)CC(N=[N+]=[N-])C1	2780
+CC(C)(C)[Si](C)(C)OC1C(CN(C(OC(C)(C)C)=O)C1)C=O	24
+CC(C)(C)OC(=O)N1CC(COS(=O)(=O)C)c2cc(ccc2C1)OC	7
+CC(C)(C)OC(=O)N1CC(c2cc(c(N)cc2)C)OCC1	0
+FC(F)(F)Oc1ccc(cc1F)C2CN(CC(c3nc(OCC)no3)C2)C(OC(C)(C)C)=O	4090
+CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2	88
+c1cc(ccc1-c2n(C3CNCCC3)nc(N)c2C(=O)N)Oc4ccccc4	2
+CC(C)(C)OC(=O)N1CC(CC1)n2nc(-c3ccc(cc3)Nc4oc5c(cc(C)cc5C)n4)c6c(N)ncnc26	918
+CC(C)(C)OC(=O)N1CC2(C1)CCN(CC2)C(COc3ccc(cc3C(C)C)C#N)=O	3193
+C1C2(CN1)CCN(CC2)C(COc3ccc(cc3C(C)C)C#N)=O	2
+CC(C)(C)OC(N1CC2(C1)OCc3c2cnc(C4=NOC(C(F)(F)F)(c5cc(Cl)c(c(Cl)c5)F)C4)c3)=O	7229
+CC(C)(C)OC(=O)N1CC2(C1)OCc3c2cnc(C=NO)c3	688
+c1cc(ccc1Oc2ccccc2)-c3c(ncnc3N)NC4CC5(CNC5)C4	2
+CC(C)(C)OC(N1CC2(C1)CC(C2)OS(=O)(=O)C)=O	7
+C1CCCC12C(CNC2)Nc3c(cnc(n3)Nc4cn(C)nc4)C	2
+C1C2(CN1C(NCc3ccc(cc3Cl)Cl)=O)CNC2	2
+CC(C)(C)OC(=O)N1CC2(CN(C2)C3CCNCC3)C1	25
+C1CC1COc2ccc3C(=O)N(c4cc(c(cc4)N5CC6(CC5)CCNC6)F)C=Cc3c2	2
+CC(C)(C)OC(N1CC2(CN(c3cc(c(Oc4ccc(cc4)Oc5cc(ccc5)F)nc3)C(OC)=O)CC2)CC1)=O	2064
+CC(C)(C)OC(N1CC2CC(CC#N)CC(c3ccccc3)(O)C2C1)=O	677
+CC(C)(C)OC(=O)N1CC2C(CC(CC2=O)COS(=O)(=O)c3ccc(cc3)C)C1	36
+CC(C)(C)OC(N1CC2C(CCC(O)C2)C1)=O	4091
+C1C2C(CN1C(=O)c3ccccc3)CNC2	2
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)c3cncc(C(=O)Nc4ccc(cc4)Cl)c3	246
+CC(C)(C)OC(=O)N1CC2CN(CC2C1)c3ccc4n(c(-c5ccnc(N)c5)c(n4)-c6ccc(cc6)Cl)n3	212
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)C(c3ccccc3)=O	115
+CC(C)(C)OC(N1CC2CC(C)CC2C1C=O)=O	24
+CC(C)(C)OC(N1CC2CC(CC2C1)Nc3c(Cl)cnc(n3)Cl)=O	40
+CC(C)(C)OC(=O)N1CC2CC(CC(C2C1)(c3ccccc3OC)O)COS(=O)(=O)c4ccc(cc4)C	1035
+n1ccnn1-c2c(cccc2F)C(N3CC4CCNCC34)=O	2
+CC(C)(C)OC(=O)N1CC2CC(CC#N)CC(c3ccccc3OC)(O)C2C1	677
+CC(C)(C)OC(N1CC2C(CC(C2)NCc3ccccc3)C1)=O	87
+CC(C)(C)OC(N1CC2CC(CCC2C1)N)=O	316
+O=C1CC2N(CCNC2)c3c(cccc3)N1	2
+o1nc(cc1C=2C3CC(CC=2)CN3)C	366
+CC(C)(C)OC(N1CC2CC1CN2c3cc(C(=O)NCC(NC(C)C)=O)c([N+](=O)[O-])cc3)=O	34
+CC(C)(C)OC(N1C2CN(c3nc(Cl)nc(-c4cnc(N)c(C(F)(F)F)c4)c3)C(C1)C2)=O	54
+CC(C)(C)OC(=O)N1CC2CC1CN2c3nc(cc(-c4cc(ncc4)Cl)n3)C	3956
+CC(C)(C)OC(N1C2CN(c3nc(-c4ccnc(c4)Cl)cc5nccn35)C(C1)C2)=O	7230
+CC(C)(C)OC(=O)N1CC2CC1CN2c3nc(cc(n3)-c4cc(NC(c5ccccc5)C)ncc4)C	70
+c1ccccc1C(Nc2nccc(-c3nc(N4C5CNC(C4)C5)nc(c3)C)c2)C	2
+CC(C)(C)OC(=O)N1CC2CC2(C1)c3ccc(cc3)NCc4ccccc4	250
+CC(C)(C)C(CN1CC2CNCC(C1)O2)=O	2
+CN(C)C(=O)N(CCN1CC2CNCC(C1)O2)CCOc3ccc(cc3)C#N	2
+C1C2CNCC(CN1CCN(S(=O)(=O)C)CCOc3ccc(cc3)C#N)O2	2
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)c3cncc(C(=O)O)c3	6
+C1C2C(CN1c3ccc4n(n3)c(-c5ccnc(N)c5)c(n4)-c6ccc(cc6)Cl)CNC2	2
+c1cc(ccc1S(=O)(=O)N2C3CNCC2Cc4c3cn[nH]4)Cl	2
+CC(C)(C)OC(=O)N1CCN2CC(COS(=O)(=O)C)CCC2C1	7
+CC(C)(C)OC(N1C(c2ccn(n2)Cc3ccc(cc3)F)CN4CCCC4C1)=O	1944
+CC(C)(C)OC(=O)N1CCC2CCCC(C1)N2C(=O)CC	2781
+CC(C)(C)OC(N1CC2c3c(C(C1)C2)cc([N+](=O)[O-])c(N)c3)=O	0
+C1CN(CCN1C(C(c2ccc(cc2)F)C3=CCN(C)CC3)=O)CCCCc4cccc5ccccc45	352
+FC(F)(F)c1c(C=2CCNCC=2)cccc1	366
+CC(C)(C)OC(=O)N1CC=C(CC1)c2c[nH]c3c2cc(nc3C(N)=O)-c4ccccc4	2782
+CC(C)(C)OC(=O)N1CC=C(CC1)c2c3c([nH]c2)c(nc(c3)-c4ccccc4)C#N	4092
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3cc(nc(C(N)=O)c3[nH]c2)-c4ccccc4	671
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(Nc3nccc(c3)C)nc(N(CCO)C)c2	191
+CC(C)(C)OC(=O)N1CCC(CC1)c2c[nH]c3c(cc(Br)cc23)C(N)=O	671
+C1=C(CCNC1)c2cc3c(c(nnc3cc2OC)C(=O)N)Nc4c(F)cc(C)cc4	366
+CC(C)(C)OC(N1CC=C(CC1)c2cc3c(ncnc3[nH]2)-c4cc(F)ccc4OC)=O	1017
+c1(sc(-c2c(OC)cc(-n3cccn3)cc2)nn1)C4=CCNCC4	366
+CC(C)(C)OC(N1CC(C(=O)O)=C(c2ccc(cc2)OCc3onc(-c4c(F)ccc(F)c4Cl)c3)CC1)=O	127
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3cc(ccc3n(c2)S(=O)(=O)C)[N+](=O)[O-]	4093
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3C(C)CCc3ncn2	1676
+CC(C)(C)OC(=O)N1CCC(CC1)c2c[nH]c3ccc(C#N)cc23	671
+CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(c3ccccc23)-c4ccc(cc4)[N+]([O-])=O	1995
+c1nc(ncc1CCC)N2CCC(CC2)C3Cc4c(O3)c(cc(c4)C5=CCNCC5)F	366
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(c(C(N)=O)cc2)-c3ccc(cc3)C(OC)=O	1676
+C1CC(=Cc2c(ccc(-c3cc(c(cc3)OCC)F)c2)N1)C(=O)OC	396
+CC(C)(C)OC(N1Cc2c([nH]nc2CC1)C(=O)OCC)=O	2783
+CC(C)(C)OC(=O)N1CCC(=O)CC1C(=O)OC	325
+CC(C)(C)OC(N1CCC(=C)CC1C(=O)OC)=O	7231
+CC(C)(C)OC(=O)N1CCC(N(CCCCN(C2Cc3c(CC2)ccc(OC)c3)CCC)CC1)=O	61
+CC(C)(C)OC(=O)N1CCC(N(CC1)CCCC(OC)OC)=O	638
+CC(C)(C)OC(=O)N1CC(CC1)(N2CCC(CC2)O)C	2784
+CC(C)(C)OC(N1CC(C(=O)N(CC(C)C)Cc2cc3c(OCCCO3)c(Cl)c2)CC1)=O	10
+CC(C)(C)OC(N1CC(C(N(OC)C)=O)CC1)=O	164
+CC(C)(C)OC(=O)N1CC(C(NCC=2C(c3ccc(cc3N(C=2)c4ccccc4)Cl)=O)=O)CC1	1475
+CC(C)(C)OC(=O)N1CC(C(CC1)N)C(=O)N2CCCC(C2)Cc3ccc(cc3)F	102
+CC(C)(C)OC(=O)N1CCC(Nc2c(C(=O)N)cnn3cc(Br)cc23)C(C)(C)C1	719
+CC(C)(C)OC(=O)N1CCC(C(C)(C)C1)NC(=O)CC2N(S(=O)(=O)c3ccc(cc3)C)C=CNC2=O	9
+c1cc(ccc1C)S(=O)(=O)N2C=CNC(=O)C2CC(=O)NC3C(C)(C)CNCC3	2
+CC(C)(C)OC(=O)N1CCC(C(C)(C)C1)N	273
+CC(C)(C)OC(=O)N1CC(CO)C(CC1)c2ccc(cc2)Cl	88
+CC(C)(C)OC(=O)N1CCC(N2CCC(CC2)N3c4ccccc4NC3=O)(C)C1	1989
+CC(C)(C)OC(=O)N1CC(CC1)(C)N2CCC(CC2)N	316
+CC(C)(C)OC(=O)N1CCC(C)(C1)N2CCC(CC2)Nc3c(cccc3)N	231
+CC(C)(C)OC(N1CCC(C1)C2OC2)=O	7232
+CC(C)(C)OC(=O)N1CCC(C1)COc2cc(Br)c(Cl)nc2C#N	4094
+CC(C)(C)OC(=O)N1CC(CC1)N(CCCN(C)C)c2ccc(c(Cl)c2)F	53
+CC(C)(C)OC(=O)N1CCC(N(C(c2ccc(cc2)-n3c4ccccc4nc3C)=O)C)C1	497
+Clc1ccc(c(Cl)c1)CNC2CNCC2	2
+c1c(NC2CNCC2)ccc(C#N)c1Cl	2
+c1cc(ccc1OC2CCNC2)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5	2
+CC(C)(C)OC(N1CCC(CC1)(C=O)COCc2ccccc2)=O	4095
+CC(C)(C)OC(=O)N1CCC(CC1)(COC)C(=O)Nc2cccc(OC(N(C)C)=O)c2	33
+CC(C)(C)OC(N1CCC(CC1)(Cc2ccccc2C)N)=O	7233
+CC(C)(C)OC(=O)N1CCC(CC1)(COCc2ccccc2)CO	95
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)CO	95
+CC(C)(C)OC(N1CCC(CC1)(N)CO)=O	44
+C1CC(CCC1)COC(C2(CCNCC2)Cc3ccc(cc3)C#N)=O	2
+CC(C)(C)OC(N1CCC(CC1)(c2oc3cnc(cc3c2)Cl)C)=O	4096
+C1CNCCC1(C)CCC=C	2
+CC(C)(C)OC(=O)N1CCC(CC1)(C)COS(=O)(=O)C	7
+CC(C)(C)OC(N1CCC(CC1)(C)CC#N)=O	300
+CC(C)(C)OC(N1CCC(CC1)(C)N2CCC(CC2)NC3C(CC#N)CCCC3)=O	87
+CC(C)(C)OC(=O)N1CCC(CC1)(C)N2CCC(CC2)=O	86
+CC(C)(C)OC(=O)N1CCC(CC1)(C2CCCCC2)C=O	24
+CC(C)(C)OC(=O)N1CCC(CC1)(COS(=O)(=O)C)C2CCCCC2	7
+CC(C)(C)OC(N1CCC(CC1)(CNC2CC2c3ccccc3)COCC4CCC4)=O	110
+CC(C)(C)OC(=O)N1CCC(CC1)(CCC=O)C(=O)OCC	465
+CC(C)(C)OC(N1CCC(CC1)(CCCNc2ccc(nc2C)N3CC(CC3)N4CCCC4C)C(=O)OCC)=O	839
+CC(C)(C)OC(N1CCC(CC1)(CCO)C#N)=O	35
+C1CC(CCN1)(C(=O)OCC)CCOc2ccccc2	2
+C1CNCCC1(C2CCCCC2)CN=[N+]=[N-]	2
+FC(F)(F)CNCC1(CCNCC1)CO	2
+CC(C)(C)OC(N1CCC(CC1)(COS(=O)(=O)C)CCC=C)=O	7
+CC(C)(C)OC(N1CCC(CC1)(NC(=O)OCc2ccccc2)CF)=O	559
+C1CNCCC1(C(Nc2cccc(OC(N(C)C)=O)c2)=O)COC	2
+CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)COC	3
+CC(C)(C)OC(=O)N1CCC(CC1)(C=O)COCC2CCC2	24
+CC(C)(C)OC(=O)N1CCC(CC1)(COCC2CCC2)CO	118
+CC(C)(C)OC(=O)N1CCC(CC1)(CN=[N+]=[N-])C2CCCCC2	133
+CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)Cc2c(cccc2)C	210
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)CNC3CC3c4ccccc4	110
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)C=O	24
+C1CNCCC1(O)Cn2c3c4c(cccc4)ncc3nc2COCC	2
+C1CNCCC1(Cn2ncc(-c3cnc(c(OC(C)c4c(ccc(F)c4Cl)Cl)c3)N)c2)O	2
+CC(C)(C)OC(N1CCC(CC1)(CN)F)=O	45
+CC(C)(C)OC(N1CCC(CC1)(F)CNC(N)=S)=O	7234
+CC(C)(C)OC(=O)N1CCC(CC1)(C)N2CCC(CC2)O	2784
+CC(C)(C)OC(=O)N1CCC(CC1)(C(OCC)=O)N	1388
+CC(C)(C)OC(=O)N1CCC(CC1)(NC(OCc2ccccc2)=O)C(N)=O	83
+CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)N)N	334
+CC(C)(C)OC(=O)N1CCC(CC1)(N(Cc2c(cc3ncnc(c3c2)Nc4c(c(ccc4)Cl)F)OC)C)C(N)=O	7235
+CC(C)(C)OC(N1CC=C(CC1)c2c(C)cccc2F)=O	252
+CC(C)(C)OC(=O)N1CCC(c2ccc(cc2)Oc3ccccc3)=CC1	252
+CC(C)(C)OC(=O)N1CCC(c2cccc(c2F)F)=CC1	252
+CC(C)(C)OC(=O)N1CCC(CC1)(OC)c2n(C)ccn2	76
+C1CC(CCN1)(OC)C	2
+C1CNCCC1(OC)c2n(C)ccn2	2
+CC(C)(C)OC(N1CCC(CC1)(COc2cc(ccc2)OC)c3ccc(cc3)Br)=O	8
+CC(C)(C)OC(N1CCC(CC1)(CO)c2ccc(cc2)F)=O	21
+CC(C)(C)OC(N1CCC(CC1)(CO)c2ccccc2)=O	21
+CC(C)(C)OC(N1CCC(CC1)(c2scc(n2)-c3c(c4c(cc3)N(C(C)CC4)C(OC)=O)OC5CCC5)O)=O	7236
+CC(C)(C)OC(N1CCC2(CC1)ON=C(C(=O)OCC)C2)=O	7237
+CC(C)(C)OC(N1CCC2(CC1)ON=C(C2)Cc3ccccc3)=O	7238
+CC(C)(C)OC(N1CCC(CC1)=C(c2ccc(cc2)C(N(CC)CC)=O)c3c(O)cccc3)=O	7239
+Fc1cc(cc(F)c1)C#CC=C2CCNCC2	2
+CC(C)(C)OC(=O)N1CCC2(CC1)C(C(OCC)=O)C2	7240
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(Oc3ccc(C4CC4)cn3)ccc2	940
+C1CCN(C1)c2cnc(Oc3cc(C=C4CCNCC4)ccc3)cc2	2
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(Oc3ccc(cn3)OC(C)C)ccc2	7241
+CC(C)Oc1ccc(Oc2cc(C=C3CCNCC3)ccc2)nc1	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc3cnc(cc3c2)Cl	4096
+CC(C)(C)OC(N1CCC(CC1)C#Cc2c(nc(C)nc2Cl)N)=O	2516
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(COCc3ccccc3)on2	4097
+C1CC(CCN1)C(N2Cc3c(CC2)cc(OC)c(OC)c3)=O	2
+CC(C)(C)OC(N1CCC(CC1)C(CN2CCN(CC2)c3ccc(cc3)S(=O)(=O)C)=O)=O	3933
+CC(C)(C)OC(N1CCC(CC1)c2nc(CCl)cs2)=O	7242
+CC(C)(C)OC(=O)N1CCC(CC1)c2sc(-c3nc(ncc3)Cl)c(n2)-c4cccc(c4F)NC(OCC=C)=O	873
+CC(C)(C)OC(=O)N1CCC(CC1)c2sc(c(n2)-c3cccc(NC(=O)c4c(cccc4F)F)c3)-c5nc(ncc5)Cl	873
+FC(F)(F)c1ccccc1CNC(C2CCNCC2)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(O)c3c(cccc3-c4ccccc4)n2	1677
+CC(C)(C)OC(=O)N1CCC(CC1)c2[nH]c3ccc(cc3n2)-c4cn(c5cc(F)ccc45)S(=O)(=O)c6ccccc6	791
+CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(c2cc(c(Cl)cc2)Cl)CC	988
+C1CNCCC1C(=O)Nc2ccc(cc2)C(C)C	2
+CC(C)(C)OC(N1CCC(CC1)C(OC)c2ccccc2)=O	76
+CC(C)(C)OC(N1CCC(CC1)C(c2ccc(cc2)Br)Oc3cccc(Cl)n3)=O	91
+C1CC(CCN1)C2(C)Oc3ccc(cc3C2)Br	2
+CC(C)(C)OC(=O)N1CCC(CC1)C2C(C2)COCc3ccc(SC)cn3	7243
+C1CNCCC1C2COC2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(c(nc(n2)SCc3cc(C)ccc3C)O)C#N	3896
+CC(C)(C)OC(=O)N1CCC(CC1)C=2n3nc4c(c(ccc4)-c5c(OCC)cccc5)c3NC(C=2)=O	7244
+CC(C)(C)OC(=O)N1CCC(CC1)C=2NC(=S)NC(C=2C#N)=O	3700
+CC(C)(C)OC(N1CCC(CC1)CNC2C(C2)c3ccc(cc3)Br)=O	110
+FC(F)(F)c1cn(CC2CCN(CC2)C(=O)OC(C)(C)C)c3c1c(ncn3)Cl	4098
+CC(C)(C)OC(N1CCC(CC1)COc2cccc(Oc3c(N)cc4c(c3)N(C(=O)N4C)C)c2)=O	8
+CC(C)(C)OC(=O)N1CCC(CC1)COc2c3c(c(nc2)Cl)nc(-c4c(N)non4)n3CC	2448
+C1CNCCC1CC#Cc2c3c(c(nc(CCCC)n3)N)n(COCc4ccccc4)c2	2
+O=S(=O)(c1ccc(cc1)NC(CC2CCNCC2)=O)C	2
+C1CC(CCN1)CC(C)(C)C(OC)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)CC(C)(C)C(OC)=O	1389
+CC(C)(C)OC(N1CCC(CC1)CC(=O)N(C2CCNCC2)CC)=O	62
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)N2CC(C(=O)NCCC(O)=O)CCC2	4
+CC(C)(C)OC(=O)N1CCC(CC1)CC(C)C(=O)OC	2544
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C2)C(NC(CC(O)=O)c3ccc(cc3)OCCF)=O)=O	4
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C(=O)NC(CC(OC)=O)c3ccc(cc3)OCCF)C2)=O	116
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C2)C(=O)ON3C(CCC3=O)=O)=O	884
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C(NC(c3ccc(cc3)O)CC(OC)=O)=O)C2)=O	9
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C(NC(c3cc(F)cc(Br)c3)CC(=O)OC)=O)C2)=O	1280
+C1CC(CCN1)CCCC(N)=O	2
+C1CC(CCN1)CCCC(OCC)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)CCCC(=O)N	2125
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCNC(c2cc3cnccc3[nH]2)=O	81
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCN	45
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCN2C(c3c(cccc3)C2=O)=O	332
+C1CC(CCN1)CCCN2C(=O)c3c(N=C2C)c(OC)ccc3	2
+CC(C)(C)OC(=O)N1CCC(CC1)CCCOc2cccc(c2)CC(O)=O	4
+C1CNCCC1CCNC(=O)C=C	2
+C1CNCCC1CCOc2c(cc3c(c2)nccc3Oc4ccc(c(Cl)c4)NC(NC5CC5)=O)C#N	2
+C1CNCCC1CCOc2cc(F)cc(Nc3ccc(I)cc3F)c2[N+](=O)[O-]	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)C2=Cc3c(C)cccc3N(C(C)C)C2=O	3900
+CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)Nc2c([N+](=O)[O-])ccc(c2)-c3cccs3	675
+CC(C)(C)OC(N1CCC(CC1)CNc2c(cnc(Br)c2)[N+]([O-])=O)=O	105
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(ccc2)Cl	250
+FC(F)(F)Cc1sc2ncnc(NCC3CCN(CC3)C(=O)OC(C)(C)C)c2c1	1108
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ncc3c([nH]nc3-c4ccnc(SC)n4)n2	96
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(nc3n2ncc3Br)-c4c(Cl)cccc4	1005
+CC(C)(C)OC(=O)N1CCC(CC1)CNC(c2cc(C)n(Cc3cc(Cl)cc4cc(oc34)-c5ccc(cc5)Cl)n2)=O	81
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ccc(cc2)Cl	250
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ncnc(Cl)c2	40
+CC(C)(C)OC(N1CCC(CC1)CNc2ncc(cn2)Br)=O	96
+c1cc(ccc1N(C(CC)=O)CC2CCNCC2)Cl	2
+CC(C)(C)OC(=O)N1CCC(CC1)CN(C(OC(C)(C)C)=O)C2CC2c3ccc(cc3)C4CC4	365
+C1CNCCC1CN(CCC)C2CCc3ccc(cc3C2)[N+](=O)[O-]	2
+C1CNCCC1CN(c2cccc(Cl)c2)C(CC)=O	2
+CC(C)N1C(C(=Cc2c(C)cccc12)C(=O)NCC3CCNCC3)=O	2
+C1CC(CCN1)CNC(=O)Nc2c([N+](=O)[O-])ccc(c2)-c3cccs3	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2nc(ncc2C(N)=O)On3c4c(nn3)cccc4	1906
+CC(C)(C)OC(=O)N1CCC(CC1)CN(c2cccc(Cl)c2)C(CC)=O	192
+C1CNCCC1CNc2cc(nc3n2ncc3Br)-c4c(Cl)cccc4	2
+C1CC(CCN1)CNc2cc(ncc2Cl)Nc3ncc(C#N)nc3	2
+C1CC(CCN1)CNc2cc(ncc2N)Nc3ncc(C#N)nc3	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(ncc2N)Nc3ncc(C#N)nc3	13
+CC(C)(C)OC(=O)N1CCC(CC1)CN(C(CC)=O)c2ccc(cc2)Cl	192
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2c(cnc(Cl)n2)C(O)=O	6
+C1CC(CCN1)CNc2nc3c(C(=O)OC)cccc3[nH]2	2
+C1CC(CCN1)CNc2ncc3c(n2)[nH]nc3-c4ccnc(n4)NCc5cccc(Cl)c5	2
+n1cc(cnc1NCC2CCNCC2)-c3ccc(cc3)S(=O)(=O)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2nc3c(c(n[nH]3)-c4ccnc(n4)NCc5cccc(Cl)c5)cn2	306
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ncc3c(-c4ccnc(S(C)=O)n4)n[nH]c3n2	172
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(Nc3cnc(cn3)C#CCO[Si](C)(C)C(C)(C)C)ncn2	4099
+CC(C)(C)OC(N1CCC(CC1)COC(C(c2cccc(c2)O)(c3ccccc3)O)=O)=O	16
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(Br)cc4F	267
+CC(C)(C)OC(=O)N1CCC(CC1)Cn2ccc3cc(ccc23)Br	1854
+CC(C)(C)OC(=O)N1CCC(CC1)COC(=O)C(c2ccccc2)(O)c3cccc(OCc4ccccc4)c3	7245
+CC(C)(C)OC(N1CCC(CC1)COc2c(cnc(Nc3ncc(C#N)nc3)c2)[N+]([O-])=O)=O	2785
+C1CC(CCN1)COc2c3c(OC4CCOC4)cccc3on2	2
+C1CC(CCN1)COc2cc(ccc2)C(OC)=O	2
+C1CC(CCN1)COc2cc3c(c(Oc4ccc(c(F)c4)NC(NC5CC5)=O)ccn3)cc2C#N	2
+C1CC(CCN1)COc2cc3c(c(ncn3)Oc4cc5c(c[nH]c5cc4)C)cc2OC	2
+C1CN(CCC1COc2cc3c(cc2OC)c(ncn3)Nc4ccc(Br)cc4F)C	352
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cc3c(c(ncn3)Oc4cc5c(c[nH]c5cc4)C)cc2OC	185
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cc3ncnc(c3cc2OC)Nc4c5c(ncc4Cl)OCO5	73
+C1CC(CCN1)COc2cc3ncnc(c3cc2OC)Nc4c5c(ncc4Cl)OCO5	2
+C1CC(CCN1C)COc2ccc(cc2OC)C(=O)OCC	352
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cnc(-n3ccc4c3ccc(NC(=O)C(C)C)c4)cc2	4100
+C1CC(CCN1)COc2ccc3c(ncnc3Nc4[nH]nc(c4)CC(Nc5c(c(F)ccc5)F)=O)c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)Cc2cn(S(=O)(=O)c3ccccc3)c4ccc(F)cc24	367
+CC(C)(C)OC(N1CCC(CC1)CC2CCNCC2)=O	2126
+C1CC(CCN1)Cc2oc3c(ccc(c3)-c4c5c(cc(F)cc5)n(S(=O)(=O)c6ccccc6)c4)n2	2
+C1CC(CCN1)Cn2ccc3c2ccc(Br)c3	2
+C1CC(CCN1)N(Cc2c3c(nc(n3CC)-c4c(N)non4)cnc2)C(=O)C	2
+CC(C)(C)OC(N1CCC(CC1)N(C2(CC2)C3CCN(C3)Cc4ccccc4)Cc5ccccc5)=O	4101
+CCN(CC)C(=O)N(C1CCNCC1)C2CCCCC2	2
+c1cc(ccc1S(=O)(=O)C)-c2ccc(CN(C3CCNCC3)C)cn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)N(c2cc(Cl)cc(C(=O)O)c2C)CC	1
+C1CNCCC1N(Cc2c(Cl)nc(Cl)s2)CC(C)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)N(C(=O)C2CN(Cc3ccccc3)CC2)Cc4ccccc4	7246
+CC(C)(C)OC(=O)N1CCC(CC1)N(c2cc(Cl)cc(C(NCc3c(nc(C)cc3C)O)=O)c2C)CC	14
+C1CC(CCN1)N(CC)c2c(C)c(C(NCc3c(nc(C)cc3C)O)=O)cc(Cl)c2	2
+CC(C)(C)OC(N1CCC(CC1)N2C(N(Cc3onc(CC)n3)c4c(sc(Br)c4)C2=O)=O)=O	7247
+C1CCC2(C1)C(=O)N(C3CCNCC3)N=C2c4cc(c(OC)cc4)OC	2
+c1cc(ccc1)COc2ccc3c(C(=O)N(C(=O)N3C4CCNCC4)Cc5ccc(OC)c(c5)OC)c2	2
+C1CNCCC1N2C(NC(=O)c3cc(ccc23)OCC(F)F)=O	2
+C1CN(CCC1N2C3CCCCC3OCC2=O)C4CCNCC4	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2CCNC(C2)C(=O)N3CCOCC3	679
+CC(C)(C)OC(=O)N1CCC(CC1)N2c3c(cc(cc3)-c4nnn[nH]4)Oc5c2cccc5	424
+C1CC(CCN1)N2c3c(NC2=O)cc(c(C)c3)F	2
+C1CC(CCN1)N2c3ccc(-c4nnn[nH]4)cc3Oc5c2cccc5	2
+CC(C)(C)OC(N1CCC(CC1)N2c3c(cccc3)N(CCN(C)C)C2=O)=O	4102
+CC(C)(C)OC(=O)N1CCC(CC1)N(c2ncccc2)C	323
+CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c2c(-c3[nH]c4c(n3)ccc(C(O)=O)c4)n[nH]c2C	6
+C1CNCCC1NC(c2cc(ccc2)OC(C)(C)C(OCC)=O)=O	2
+C1CC(CCN1)NC(=O)c2cc3ccccc3n2Cc4cc(on4)-c5ccc(Cl)s5	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(=O)Nc3cc(Br)sc3C2=O	7248
+FC1(F)C(N(c2c(nc(nc2)Nc3ccc(cc3)C(NC4CCNCC4)=O)N(C1)C5CCC5)C)=O	2
+FC(F)(F)c1c(cccc1Cl)CN(CC(C)C)C2CCN(CC2)C(=O)OC(C)(C)C	131
+CC(C)(C)OC(=O)N1CCC(CC1)N(Cc2ccc(cc2Cl)S(=O)(=O)C)CC(C)C	48
+CC(C)(C)OC(=O)N1CCC(CC1)N(Cc2c(Cl)nc(Cl)s2)CC(C)C	2075
+c1cc(ccc1)OCC(O)CNC2CCNCC2	2
+CC(C)(C)OC(=O)N1CCC(CC1)NCCc2c(cccc2)N	0
+CC(C)(C)OC(=O)N1CCC(CC1)N(C(=O)C)Cc2c3c(nc(n3CC)-c4c(N)non4)cnc2	58
+CC(C)(C)OC(=O)N1CCC(CC1)N(S(=O)(=O)C)Cc2cc(ccc2F)-c3ccnc(n3)Cl	112
+CC(C)(C)OC(N1CCC(CC1)N(Cc2ccc(cc2)[N+]([O-])=O)C(c3ccc(cc3)CCCCC)=O)=O	115
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc3c(ncnc23)Cl	7249
+CC(C)(C)OC(N1CCC(CC1)n2cnc3cnccc23)=O	919
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ncc(-c3cc4ccccc4cc3)cc2[N+](=O)[O-]	89
+C1CNCCC1Nc2nc(NCCCN(C)C)nc3ccccc23	2
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2cc(-c3cc4ccccc4n3Cc5ccccc5)nn6c(nnc26)C	190
+C1CNCCC1Nc2cc(-c3cc4ccccc4n3Cc5ccccc5)nn6c(nnc26)C	2
+C1CC(CCN1)Nc2ccc(c(N)n2)C(=O)c3c(F)cccc3	2
+C1CNCCC1Nc2ccc(cc2)F	2
+CC(C)(C)OC(N1CCC(CC1)N(c2ccc(cc2)SC)Cc3ccnc(-c4cc(OC)c(c(OC)c4)OC)c3)=O	2786
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(N)cncc2	13
+C1CNCCC1Nc2nc(NCCO)nc(n2)OC	2
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c3ccccc3nc(NCCCN(C)C)n2	798
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(N)cc(-c3ccc4c(c3)cccc4)cn2	13
+C1CC(CCN1)Nc2cc(c(cn2)Cl)-c3nc(ccc3)NCc4cc(F)ccc4	2
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(-c3nc(F)ccc3)c(cn2)Cl)=O	7250
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(c(cc(Cl)c2)C(OC)=O)C	20
+FC(F)(F)CCCc1c2c(cnc1)ccc(OC3CCN(CC3)C(=O)OC(C)(C)C)c2	20
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc3CCC(=O)Nc3c2	20
+CC(C)(C)OC(N1CCC(CC1)Oc2cc3n(-c4cc(OC(C)c5ccccc5Cl)c(C(OC)=O)s4)cnc3cc2)=O	419
+CC(C)(C)OC(=O)N1CCC(CC1)OS(=O)(=O)C	7
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(nc2-c4nonc4N)cccc3	7251
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(c3ccncc3cc2)[N+]([O-])=O	57
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ncc(cc2)[N+](=O)[O-]	91
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc3c(OC(C(=O)N3)C)cc2	419
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3c(cc(c2)CC(OC)=O)ccc(F)c3	20
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(c(c2)[N+](=O)[O-])OCC(OC)=O	419
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(Br)cc(cc2)F	419
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2sc3cc(ccc3n2)Br	3903
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(F)cc2F	20
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cnc(cc2)Cl	981
+CC(C)(C)OC(N1CCC(CC1)Oc2ncc(c3ccccc23)[N+](=O)[O-])=O	91
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cccc3ccc(-c4n5ccc(cc5nc4)OCCOC)nc23	3785
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(ccc2Br)F	419
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ncc(cc2)Br	640
+CC(C)(C)OC(=O)N1CCC(CC1)OC(Nc2c(cc(F)cc2)Br)=O	7252
+CC(C)(C)OC(=O)N1CCC(CC1)OCC2CCN(Cc3ccccc3)C2	967
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc3CC4(CCN(CC4)Cc5ccccc5)Cc3c2)=O	20
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3cnn(c3ncn2)-c4ccc(cc4)S(=O)(=O)C	2557
+CC(C)(C)OC(N1CCC(CC1)Oc2cc(OCC)cc(c2F)C(Nc3ccc(cc3)C#N)C(=O)OCC)=O	20
+CC(C)(C)OC(=O)N1CCC(CC1)OS(=O)(=O)c2ccc(cc2)C	36
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)[N+]([O-])=O	57
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)I	57
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)I	20
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc(cc2)N3C(C)=Nc4ccccc4C3=O)=O	20
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)-n3c(nc4cnccc34)-c5nonc5N	20
+CC(C)(C)OC(=O)N1CCC(CC1)Sc2ccc(cc2)O	4103
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(Br)cc3C(=O)N(Cc4ccc(cc4)OC)C=Cc3c2	57
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3cc(I)ccc3ncc2	260
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3c4c(n(S(=O)(=O)c5ccccc5)c3cnc2C#N)ncc(c4)Br	7253
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ncnc(Cl)c2	145
+c1ccccc1COc2c(Cl)cc(cc2)-c3cc(F)ccc3NC(=O)OC4CCNCC4	2
+CC(C)(C)OC(=O)N1CCC(CC1)OC(=O)Nc2ccc(F)cc2-c3ccc(OCc4ccccc4)c(Cl)c3	11
+C1CN(CCC1OC2=CC(N(c3c(cc(C#N)cc3)F)C=C2)=O)C(=O)OC(C)C	4104
+CC(C)(C)OC(=O)N1CCC(CC1)OCC#N	143
+CC(C)(C)OC(=O)N1CCC(CC1)OCCN2CCCCC2	15
+CC(C)(C)OC(=O)N1CCC(CC1)OCC(=O)N	83
+C1COCCN1C(=O)COC2CCNCC2	2
+C1CC(CCN1)OCC2CC2	2
+CC(C)(C)OC(=O)N1CCC(CC1)OCC2CCNC2	25
+CC(C)(C)OC(N1CCC(CC1)OCCCCCOC)=O	176
+C1CNCCC1OCCN2CCCCC2	2
+CC(C)(C)OC(N1CCC(CC1)n2cnc(C=O)c2)=O	7254
+CC(C)(C)OC(=O)N1CCC(CC1)n2nc(-c3ccccc3)cc2	1647
+CC(C)(C)OC(N1CCC(CC1)Oc2cc(ncc2)O)=O	624
+C1CNCCC1Oc2ccc(F)cc2Br	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(c(cc(Cl)c2)C(NCc3c(O)cc(C)nc3C)=O)C	14
+C1CNCCC1Oc2c(F)cc(cc2F)C3=NNC(=O)CC3	2
+C1CC(CCN1)Oc2cc(Cl)cc(C(NCc3c(O)cc(C)nc3C)=O)c2C	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(C)c(C(O)=O)cc(c2)Cl	1
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(F)cc(cc2F)C3=NNC(=O)CC3	4105
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(F)ccc2C(=O)Nc3c(cccc3)C(Nc4ccc(Cl)cn4)=O	67
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(ccc(F)c2)C(O)=O	1
+C1CNCCC1Oc2c3c(cc(c2)CC(OC)=O)ccc(F)c3	2
+O=S(=O)(n1c2c(cc(cn2)Br)c3c(c(C#N)ncc13)OC4CCNCC4)c5ccccc5	2
+C1CNCCC1Oc2c3cc(C=C4C(=O)NC(S4)=N)ccc3ncc2	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3cc(C=C4C(=O)NC(S4)=N)ccc3ncc2	7255
+O=S(=O)(c1ccc(cc1)-n2ncc3c(OC4CCNCC4)ncnc23)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(C=O)cc(Br)c2	39
+C1CC(CCN1)Oc2cc(C)c(c(C)c2)-c3cc(ccc3)COc4cc5OCC(CC(OC)=O)c5cc4	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(Br)cc(c2)C#N	1308
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(C=NO)cc(c2)Br	135
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(Br)cc(CO)c2	49
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(cc(Br)c2)C(=O)O	1
+C1CNCCC1Oc2c(Br)ccc(c2)F	2
+C1CC(CCN1)Oc2cc3c(OC(C(=O)N3)C)cc2	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc3c(c2)c4n(c(COCC)nc4c(N)n3)CCC	445
+C1CS(=O)(=O)CCN1C(=O)c2n(c3c(cc(cc3)OC4CCNCC4)c2)C(C)C	2
+C1CC(CCN1)Oc2ccc(F)cc2F	2
+C1CNCCC1Oc2ccc(cc2)-n3c(nc4cnccc34)-c5nonc5N	2
+c1cc(ccc1-n2cc(C(N3CCCC3)=O)cn2)OC4CCNCC4	2
+C1CNCCC1Oc2ccc(cc2)-n3ncc(C(OCC)=O)c3	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)-n3ncc(C(OCC)=O)c3	568
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc(cc2)N3CCN(C(=O)OCc4ccccc4)CC3=O)=O	883
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc(cc2)NCc3cc4c(cc3)ccc(C#N)c4)=O	208
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc(cc2)NC(=O)C3CN(C3)C(OCc4ccccc4)=O)=O	33
+c1cc(ccc1NC(=O)C2CN(C2)c3cnccc3)OC4CCNCC4	2
+C1CNCCC1Oc2ccc(cc2)S(=O)(=O)N(C3CCC3)c4cccc(F)c4	2
+c1cc(ccc1[N+]([O-])=O)OC2CCNCC2	2
+C1CC(CCN1)Oc2ccc3CCC(=O)Nc3c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc3c(cc2)[n+](c(c4nc(COCC)n(c34)CCC)N)[O-]	574
+C1CC(CCN1)Oc2ccc3c(c4n(c(COCC)nc4c(N)n3)CCC)c2	2
+C1CC(CCN1)Oc2cccc3ccc(-c4n5ccc(cc5nc4)OCCOC)nc23	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(-n3c4c(cc3)cc(cc4)C(NCCO)=O)nc2	4100
+CC(C)(C)OC(N1CCC(CC1)Oc2ncc(cc2)-c3ccc(cc3)F)=O	89
+C1CNCCC1Oc2ccc(cn2)[N+](=O)[O-]	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(N)ncn2	266
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(ncn2)N3CCc4nc(ccc34)Cl	7256
+C1CC(CCN1)Oc2sc3cc(ccc3n2)Br	2
+CC(C)(C)OC(=O)N1CCC(CC1)S(=O)(=O)Nc2ccc3c(c2)CCN(C3)C(=O)COc4cnccc4	80
+C1CC(CCN1)S(=O)(=O)Nc2ccc3c(c2)CCN(C3)C(=O)COc4cnccc4	2
+C1CC(CCN1)Sc2ccc(cc2)OCc3cccc(F)c3	2
+C1CN(CCN1C)c2cc(nc(SC3CCNCC3)n2)Nc4ncc(C#N)s4	2
+C1CC(CCN1)Sc2ncnc(Cl)c2C	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc3ccc(-c4c[nH]c5c4ccc(c5)F)cc3[nH]2	741
+C1CC(CCN1)c2cc(OC)ccc2Br	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(cccc2)COc3c(F)cc(cc3F)F	885
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccccc2N(S(=O)(=O)C)C	418
+c1ccccc1COC(=O)Nc2ccc(C3CCNCC3)c(OC)c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3ccc(cc3n(c2CC)-c4ccccc4)F	2787
+C1CNCCC1c2nc(nc(c2C#N)O)SCc3cc(C)ccc3C	2
+c1ccccc1COC(Nc2ccc(c(c2)C3CCNCC3)C)=O	2
+CC(C)(C)OC(N1CCC(CC1)c2ccccc2CO)=O	49
+C1CC(CCN1)c2ncnc3c2C(C)CC3	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3ccc(OCCO)cc3ncn2	724
+C1CC(CCN1)c2c3c(c(C(N)=O)cc(-c4c(cc(F)cc4)F)c3)[nH]c2	2
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+CC(C)(C)OC(=O)N1CCC(CC1)c2c3ccc(cc3ncn2)OCCOS(=O)(=O)C	7
+C1CNCCC1c2c3c(cc(cc3)F)n(c2CC)-c4ccccc4	2
+C1CNCCC1c2c[nH]c3c(cc(Br)cc23)C(N)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3cc(-c4c(cc(F)cc4)F)cc(c3[nH]c2)C(N)=O	11
+C1CC(CCN1)c2c3cc(ccc3[nH]c2)C#N	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(nc(n2)C3CC3)-c4cnc(N)c(OC(F)F)c4	7257
+CC(C)(C)OC(=O)N1CCC(CC1)c2cccc(NC(CC)=O)c2	26
+C1CNCCC1c2cc(nc(Nc3nccc(c3)C)c2)N(CCO)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(c(nc2)Cn3ccc4cc([N+](=O)[O-])cc(F)c34)F	7258
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(ccc(NC(OCc3ccccc3)=O)c2)C	90
+FC(F)Oc1cc(-c2nc(nc(C3CCNCC3)c2)C4CC4)cnc1N	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc3c(cc2C(=C)C)OCC4=NNC(=O)C(N34)C	7259
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C(C)C)cc3OCC=4N(C(C)C(=O)NN=4)c3c2	1382
+O=S(=O)(c1ccc(c(c1)F)-c2ncc3c(cc(o3)C4CCNCC4)c2)C	2
+C1CC(CCN1)c2ccc(cc2)C(C)C(NC3CC3)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)C(C(=O)O)C	4
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)NC(Nc3ccccc3Oc4n(-c5ccccc5Cl)nc(c4)C)=O	124
+c1cc(ccc1C2CCNCC2)NC(Nc3ccccc3Oc4n(-c5ccccc5Cl)nc(c4)C)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(OC)cc(NC(OCc3ccccc3)=O)cc2	90
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cn2)Nc3nc(c(cn3)C)CCc4ccccc4CC(=O)N	83
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cn2)Nc3nc(CCc4ccccc4CC(=O)O)c(cn3)C	4
+C1CC(CCN1)c2ncc(Nc3nc(c(cn3)C)CCc4ccccc4CC(=O)N)cc2	2
+C1CC(CCN1)c2cccc(NC(=O)C(C)C)c2	2
+C1CC(CCN1)c2cc(NC(CC)=O)ccc2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(NS(=O)(=O)C)cccc2	80
+CC(C)(C)OC(=O)N1CCC(CC1)c2cn(c3ncc(NC(=O)c4cccc(C#N)c4)c(c23)C)C	660
+C1CC(CCN1)c2c3c(C)c(cnc3n(C)c2)NC(=O)c4cccc(C#N)c4	2
+C1CNCCC1c2cnc(C(OC)=O)cn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cnc(cc2)COc3ccc(cc3)S(=O)(=O)C	885
+C1CC(CCN1)c2ccc(nc2)COc3ccc(cc3)S(=O)(=O)C	2
+C1CC(CCN1)c2sc(c(-c3c(c(NS(=O)(=O)c4cocc4)ccc3)F)n2)-c5ccnc(N)n5	2
+c1ccccc1NC(=O)c2ccc(cc2)-c3nc(ccc3C(N)=O)C4CCNCC4	2
+C1CNCCC1c2n(c(c(-c3ccc(cc3)OC)n2)-c4ccc(cc4)OC)CC(=O)OC	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(cn2CCN3CCC3)-c4cc(c(cc4)F)C	1234
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(Br)cn2CCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(Nc3ncc(cc3Sc4ccccc4Cl)Oc5ccc(cc5)C=O)sn2	146
+c1cc(ccc1C=O)Oc2cc(c(nc2)Nc3nc(C4CCNCC4)ns3)Sc5ccccc5Cl	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(-c3ccc(cc3)C(Nc4ccccc4)=O)c(C(N)=O)cc2	67
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(c(C(N)=O)cc2)-c3ccc(cc3)C(O)=O	1
+c1cc(ccc1)C(N(C)C(c2csc(C3CCNCC3)n2)=O)CC	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(-c3cnc(N)c(c3)OC(F)F)nc(Cl)n2	2788
+C1CC(CCN1c2ncc(cn2)CC)c3nc(no3)COc4ccc(cc4)S(=O)(=O)C	4106
+C1CC(CCN1)c2nc3cc(ccc3[nH]2)-c4c[nH]c5c4ccc(c5)F	2
+C1CN(CCC1c2nc3ccc(c4OCC(c5ncccc5)n2c34)-c6c(noc6C)C)C(=O)C	4107
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cn2)Nc3nc(CCc4ccccc4CC(OC)=O)c(cn3)C	801
+C1CNCCC1c2oc(-c3cc(-c4cc(OC)ccc4)cnc3N)nn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc(COCc3c(N)ccc(Cl)c3)nn2	7260
+c1cc(ccc1)Cc2[nH]c(C3CCNCC3)nn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nnc(-c3cc(-c4cc(OC)ccc4)cnc3N)o2	89
+C1CC(CCN1)c2oc(C)nn2	2
+CC(C)(C)OC(N1CCC(CC1)c2oc3c(cc(cc3n2)-c4ccc(cc4F)S(=O)(=O)C)F)=O	492
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc3c(cnc(-c4ccc(cc4F)S(=O)(=O)C)c3)o2	140
+C1CNCCC1c2onc(Cc3cccnc3)n2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(-c3c(c(NS(=O)(=O)c4cocc4)ccc3)F)c(-c5ccnc(N)n5)s2	911
+CC(C)(C)OC(=O)N1CCC(CC1)c2sc(c(n2)-c3cccc(c3F)N)-c4nc(ncc4)Cl	2087
+CC(C)(C)OC(=O)N1CCC(CC1)c2sc(-c3nc(ncc3)Cl)c(n2)-c4c(c(NS(=O)(=O)c5cocc5)ccc4)F	4108
+C1CC(CCN1)n2c(c(cn2)-c3cnc(N)c(-c4oc5c(n4)cccc5)c3)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c(C)c(cn2)-c3cnc(N)c(-c4oc5c(n4)cccc5)c3	4109
+C1CC(CCN1)n2nnc3c(N4CCOCC4)nc(nc23)-c5cc(ccc5)O	2
+C1CNCCC1n2nnc3c(N4CCOCC4)nc(-n5c6cccc(c6nc5C(F)F)OC)nc23	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3nc(-c4ccc(cc4)NC(=O)NCCN(C)C)nc(c3nn2)N5CCOCC5	675
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(cn2)c(nc(-c4ccc(cc4)N)n3)N5CC6CCC(C5)O6	0
+c1ccccc1Oc2c3cnn(c3ncn2)C4CCN(CC4)C(OC(C)C)=O	4104
+C1CC(CCN1)n2c3c(cccc3)nc2-c4nonc4N	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3ccc(cc3cn2)OCC(OCC)=O	52
+c1cc(ccc1-c2nc(c3nnn(c3n2)C4CCNCC4)N5CCOCC5)NC(=O)NCCN(C)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(cn2)c(N4CC5CCC(C4)O5)nc(-c6ccc(cc6)[N+](=O)[O-])n3	345
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(c(N4CCOCC4)nc(-c5cc(ccc5)O)n3)nn2	345
+C1CC(CCN1)n2ncc3c(Oc4cccnc4C)ncnc23	2
+C1CC(CCN1)n2cc(-c3cc(-c4nc5c(c(C(NC)=O)ccc5)o4)c(nc3)N)cn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3cc(-c4nc5c(c(C(NC)=O)ccc5)o4)c(nc3)N)cn2	1036
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3cc(-c4nc5c(c(ccc5)C(O)=O)o4)c(nc3)N)cn2	1
+C1CNCCC1n2cc(-c3ccc4c(CCC(C)N4C(C5CC5)=O)c3OC6CCC6)cn2	2
+c1cc(ccn1)-c2c(-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F)nn(C5CCNCC5)c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc(-c3cnc4[nH]cc(c4c3)I)c2	1361
+FC(F)(F)c1cnc(Nc2cnn(C3CCN(CC3)C(=O)OC(C)(C)C)c2)nc1Cl	486
+CC(C)(C)OC(N1CCC(CC1)n2ncc(Nc3nc(CCc4ccccc4C(C(=O)N)C)c(Cl)cn3)c2)=O	486
+C1CC(CCN1)n2ccc(-c3ccccc3)n2	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc(c2)-c3cnc4c(c3)c(cn4S(=O)(=O)c5ccc(cc5)C)I	276
+C1CNCCC1n2ncc(c2)-c3nc(OC(C4CNC(=O)C4)C)c5c(nn(c5)C)c3	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3ncnc(Oc4cccnc4C)c3cn2	7261
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(cn2)c(Oc4ccccc4)ncn3	7262
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(=O)OC	282
+CC(C)(C)OC(N1CCC(CC1C(OC2CCCC2)=O)N)=O	273
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(Nc3c(cccc3)N)=O	33
+CC(C)(C)OC(=O)N1C(CC(Oc2c3c(c(-c4ccccc4)oc3ncn2)-c5ccc(cc5)OC)CC1)CCC(OC)=O	2741
+CC(C)(C)OC(=O)N1CCC(OC)CC1c2ccccc2OC	76
+CC(C)(C)OC(N1CCCC2(CO2)CC1)=O	2727
+C1NCCCC(NCCCCO)C1	2
+C(OC(=O)Nc1ccccc1Br)C2CNCC2	2
+CC(C)(C)OC(=O)N1CCC(=O)N(CC1)CCCC=O	571
+C(CCCN1CCNCCC1=O)N(CCC)C2CCc3ccc(OC)cc3C2	2
+c1cc(ccc1CN(C2CNCC2)CC(=O)NCC)Cl	2
+C1CC(CCN1C2(CN(C(OCCF)=O)CC2)C)N3c4ccccc4NC3=O	7263
+CC(C)(C)OC(N1CCC(C(C1)F)N)=O	18
+CC(C)(C)OC(=O)N1CCC(CC1C(O)=O)NC(=O)Nc2ccc(cc2)C#N	4
+CC(C)(C)OC(N1CCC(N(C)C(=O)c2ccc(cc2)Br)C(c3ccc(c(Cl)c3)Cl)C1)=O	497
+c1ccccc1C(=O)NC2C(OC)CNCC2	2
+O=S(=O)(NC1CCN(C#N)C1)c2cc([N+](=O)[O-])ccc2Br	7264
+CC(C)(C)OC(N1CCC(C(N)C1)O)=O	18
+CC(C)(C)OC(N1CC(CN=[N+]=[N-])C(O)CC1)=O	254
+C1CNC(CC1OC)c2ccccc2OC	2
+CC(C)(C)OC(N1CCC(O)C(C1)COc2nnc(CCCC)c(c2)-c3ccc(cc3)OC4CCCCC4)=O	1262
+CC(C)(C)OC(=O)N1CCC(Oc2c3c(cccc3cc(C=4NNC(=O)N=4)n2)Cl)C1	7265
+CC(C)(C)OC(=O)N1CCC(Oc2c3c(Cl)cccc3cc(C(=N)NN)n2)C1	7266
+c1cc(ccc1OC2CCNC2)F	2
+CC(C)(C)OC(=O)N1CC=C(CC1)c2cc(nc(Nc3cc(ccn3)C)c2)N(CCO)C	346
+c1cc(ccc1Oc2ccccc2)C3=CCNCC3	366
+C1=C(c2cccc(c2F)F)CCNC1	366
+CC(C)(C)OC(=O)N1CCC1CNC(c2cc(F)c(nc2NCCc3cccc(F)c3)-c4cnn(c4)C)=O	56
+c1(C(=O)NCC2NCC2)cc(F)c(nc1NCCc3cccc(F)c3)-c4cnn(C)c4	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)C(N)=S	199
+CC(C)(C)OC(=O)N1CCC2(CC(C2)C(N)=O)CC1	83
+C1CNCCC12CCN(C)C2=O	2
+c1cnn(n1)-c2c(cccc2)CN3C(=O)C4(CCNCC4)CCC3	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CC2C(O)=O	3
+c1cc(ccc1C)S(=O)(=O)n2cc(CN3C(C4(CCNCC4)CCC3)=O)c5ccccc25	2
+CC(C)(C)OC(N1CCC2(CCC(CC2)=O)CC1)=O	1678
+CC(C)(C)OC(=O)N1CCC2(CC1)CN(c3cc(F)c(N)cc3)C(C2)=O	0
+CC(C)(C)OC(=O)N1CCC2(CC(C2)C(O)=O)CC1	270
+CC(C)(C)OC(=O)N1CCC2(CC1)CC2C(N)=O	2789
+CC(C)(C)OC(N1CCC2(CC1)c3c(C(C(N(C)C)=O)=CC2)cccc3)=O	4110
+CC(C)(C)OC(=O)N1CCC2(CC1)c3c(cccc3)C(=NC(C)c4ccccc4)CC2	1529
+C1CC2(CCN1)N(C(CCC2)=O)Cc3cccc4n(S(=O)(=O)c5ccc(cc5)C)ccc34	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CCC(=O)c3c2cccc3	7267
+c1cc(ccc1C(=O)N2CC3(CCNCC3)CC2)-c4nc5cc(C#N)cc(c5o4)C(C)C	2
+C1CC2(CCN1)CCN(C2)c3ccc(S(=O)(=O)C)c(C)n3	2
+C1C2(CN1c3nc4ncccc4c(Nc5cc(n[nH]5)C)n3)CCNCC2	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CC(N(C2)c3ccc(-n4nnnc4)c(c3)F)=O	797
+CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)N(C2)c3ccc([N+](=O)[O-])c(c3)F	654
+C1CNCCC12CNC2=O	2
+c1ccccc1CC2C(N(Cc3ccccc3)C4(CCNCC4)N2)=O	2
+CC1(C)OB(OC1(C)C)c2cnn(CC3(CCN(CC3)C(OC(C)(C)C)=O)O)c2	2790
+CC(C)(C)OC(N1CCC(CC1)(O)CNCC)=O	122
+C1CC2(CCN1)c3c(cccc3)CS2=O	2
+C1CNCCC12OC(=O)Nc3ccccc23	2
+CC(C)(C)OC(=O)N1CCC2(CC1)S(Cc3c2cccc3)=O	441
+CC(C)(C)OC(=O)N1CCC2(CC2)CC1C(O)=O	4
+CC(C)(C)OC(=O)N1CCC2(CC1)CN(C2)c3nc4ncccc4c(Nc5cc(n[nH]5)C)n3	117
+CC(C)(C)OC(N1CCC2(CCCN2)C1)=O	25
+N1(C2CCCC1CNCC2)C(=O)CC	2
+CC(C)(C)OC(=O)N1CC2NC(CC1)CCC2	25
+CC(C)(C)OC(N1CCC=2C(C1)(COCC)Cc3cnn(c3C=2)-c4ccc(cc4)F)=O	481
+C1C(CC1)CN2C(C(c3cc(ccc3)Cl)=CC=4CNCCC2=4)=O	366
+CC(C)(C)OC(=O)N1CCC=2N(CC3CCC3)C(=O)C(=CC=2C1)c4cc(ccc4)Cl	3993
+CC(C)(C)OC(=O)N1CCC(CCC1)=C	7268
+CC(C)(C)OC(=O)N1CCCc2n[nH]c(c2C1)C(=O)OCC	2783
+CC(C)(C)OC(=O)N1CC(C(OCCN)c2cc(Cl)cc(F)c2)CCC1	51
+CC(C)(C)OC(=O)N1CC(CCC1)(Cc2ccc(cc2)C)CO	44
+CC(C)(C)OC(N1CCCC(C(N(OC)C)=O)C1)=O	164
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCCCN3C(C4CN(CCC4)C(OC(C)(C)C)=O)=O)=O	348
+c1cc(ccc1)Cn2cc(-c3cc4nccnc4c(NCC5CCCNC5)n3)cn2	2
+CC(C)(C)OC(N1CCCC(C1)Cn2c(c(Br)c3cnc(NCc4ccc(F)c(F)c4)nc23)-c5c(cccc5Cl)Cl)=O	96
+CC(C)(C)OC(N1CC(CNCc2ncc3c(c2)OCCO3)CCC1)=O	294
+CC(C)(C)OC(=O)N1CCCC(C1)CNC(=O)CCc2ncc(cn2)-c3ccc(c(OC)c3)OC	9
+CC(C)(C)OC(=O)N1CC(CCC1)CNc2c3nccnc3cc(n2)Cl	1679
+C1CN(CCC1C(=O)Nc2ccc(c(Cl)c2)Cl)CC3CCCNC3	2
+CC(C)(C)OC(=O)N1CC(CNc2nc(cc3ncccc23)Cl)(F)CCC1	2791
+CC(C)(C)OC(=O)N1CC(COc2c3cccnc3cc(n2)Cl)(F)CCC1	7269
+CC(C)(C)OC(=O)N1CCCC(C1)Nc2nc(N3CCOCC3)nc(OC)c2-c4nc5cc(Br)ccc5s4	3784
+CC(C)(C)OC(=O)N1CC(CCC1)Nc2c3c(nc(n2)Nc4ccc(cc4)N(C)C(=O)CC)n(C5OCCCC5)cn3	55
+C1NCCCC1Oc2ccccc2OCC	2
+n1n(c(nn1)-c2cc(cnc2N)C3=CCNCCC3)-c4cccc(c4F)F	366
+CC(C)(C)OC(N1C(C(=O)Nc2cc3c(cc2)n[nH]c3)C(CCC1)c4ccccc4)=O	33
+c1cc(ccn1)-c2c3c([nH]n2)ccc(-c4nc(C5CCCNC5)n(C)n4)c3	2
+CC(C)(C)OC(=O)N1CCCC(c2nc(-c3cc4c(-c5ccncc5)n[nH]c4cc3)nn2C)C1	7270
+c1cc(ccc1Oc2c(cccc2)F)-c3nn(c4c3c(N)ncn4)C5CNCCC5	2
+CC(C)(C)OC(=O)N1CC(n2c(-c3ccc(cc3)Oc4ccccc4)c(c(n2)N)C(N)=O)CCC1	3832
+CC(C)(Cc1c[nH]c(C2(Cc3ccc(cc3)-c4ccc(F)cn4)CCCN2)n1)CC	2
+CC(C)(C)OC(=O)N1C(c2nnn[nH]2)CCC1	420
+c1cc(ccc1)OCC(O)C2NCCC2	2
+CC(C)(C)OC(=O)N1CCCC1C#N	143
+CC(C)(C)OC(=O)N1C(CNc2ccc(cc2Oc3ccc(cc3)C#N)-c4ccccc4)CCC1	291
+CC(C)(C)OC(=O)N1C(CCC1)CNc2nc3n(ncc3I)cc2	1390
+CC(C)(C)OC(=O)N1CCCC1CNCCC	285
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)I)=O	450
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCc3ccccc3)=O	450
+CC(C)(C)OC(=O)N1C(CCC1)COc2ccc(cc2)Cc3ccccc3	450
+CC(C)(C)OC(=O)N1C(CCC1)COc2ccc(cc2)Oc3ccccc3	450
+CC(C)(C)OC(=O)N1CCCC1Cn2c3ccc(CO)cc3nc2NC(c4sc(C(F)F)cc4)=O	98
+FC(F)c1sc(C(=O)Nc2nc3c(ccc(CO)c3)n2CC4NCCC4)cc1	2
+c1c(C2NCCC2)cc(c(-c3nc4cccc(C(=O)N)c4[nH]3)c1)F	2
+CC(C)(C)OC(N1CCCCC1c2cc(-c3cccc(C#N)c3)on2)=O	7271
+CC(C)(C)OC(N1CCCCC1CC(=O)Nc2c(O)cccc2)=O	33
+CC(C)(C)OC(=O)N1C(CCNc2c(c(O)ccn2)NC(=O)Cc3cc(ccc3-n4cncn4)Cl)CCCC1	469
+CC(C)(C)OC(=O)N1CCCCC1CCNc2c(N)c(O)ccn2	13
+CC(C)(C)OC(=O)N1CCCN(c2nc(C(c3cccnc3N)=O)cc4c2cccc4)CC1	905
+c1cc(ccc1)-n2c3ccccc3c(C=O)c2N4CCNCCC4	2
+C1C2CCCN1c3ccc(nc3N2C(Nc4ccncn4)=O)N5CCCNCC5	2
+CC(C)(C)OC(=O)N1CCCN(c2ccc3c(N(C4CN3CCC4)C(=O)Nc5ccncn5)n2)CC1	2792
+CC(C)(C)OC(=O)N1CCCN(c2nc3c(C=C(c4nc5sccn5c4)C(O3)=O)cc2)CC1	7272
+CC(C)(C)OC(N1CCCN(c2nc3c(cccc3)n2CCOS(=O)(=O)C)CC1)=O	7
+CC(C)(C)OC(=O)N1CCCN(c2n(C)ncc2N)CC1	209
+c1(n(C)ncc1[N+]([O-])=O)N2CCCNCC2	2
+CC(C)(C)OC(=O)N1CCN(CCC1)C(=O)c2nn(-c3ccsc3)c4-c5cc(CC(C)C)c(OC)cc5OCc24	147
+CC(C)(C)OC(=O)N1CCN(c2c(Cl)cc(Cl)cc2)CCC1	79
+CC(C)(C)OC(=O)N1CCCN(CC1)c2ccc(c(n2)O)C=O	43
+CC(C)(C)OC(=O)N1CCCN(c2n(ncc2[N+](=O)[O-])C)CC1	959
+CC(C)(C)OC(=O)N1CCCN(c2ccc3c(n2)NC4CCCN3C4)CC1	43
+CC(C)(C)OC(N1CCN(CCC1)c2ccc(Br)cn2)=O	323
+CC(C)(C)OC(=O)N1CCCN(c2c(C=O)c3c(n2-c4ccccc4)cccc3)CC1	2646
+CC(C)(C)OC(N1Cc2c([nH]nc2CCC1)C(N3CCC(CC3)c4c(cccc4)C(F)(F)F)=O)=O	3411
+c1(nc2c(cc1)cc(C#N)cc2)N3C(CNCC3)=O	255
+CC(C)(C)OC(=O)N1CCN(C(=O)OC)CC1CCOc2ccccc2	20
+c1ccccc1OCCC2NCCN(C(=O)OC)C2	2
+CC(C)(C)OC(N1CCN(C(=O)OCc2ccccc2)C(C(Nc3ccc(cc3)Cl)=O)C1)=O	33
+c1cc(ccc1F)-c2ccc3c(c(nc(N)n3)N4CCN(C(=O)COc5ccc(cc5)Cl)CC4C)n2	1324
+CC(C)(C)OC(=O)N1CCN(c2ccc(nc2)N)C(CC)C1	161
+CC(C)(C)OC(N1CC(CNc2nc(Cl)cc3c2nccn3)N(CC1)C)=O	1679
+CC(C)(C)OC(=O)NC(C(C)C)C(N1CC(N(CC1)C(c2ccc(cc2)Cl)=O)C(=O)OC)=O	4083
+CC(C)(C)OC(N1CCN(CC1)C(NO)=N)=O	2001
+CCN(CC)CCN(C(=O)N1CCNCC1)Cc2ccc(cc2)Cl	2
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2cc(COS(=O)(=O)C)ccc2F)=O	7
+CC(C)(C)OC(N1CCN(CC1)C(c2c(Oc3c(C)ccc(F)c3)n(-c4ccccc4)c5cnc(cc25)OC)=O)=O	7273
+C1CNCCN1C(=O)c2cccc3c(c[nH]c23)CN4CCOCC4	2
+C1CN(CCN1)C(=O)c2ccc(cc2)NC(NCC3CC3)=O	2
+C1CN(CCN1)C(CC)C#Cc2cccc(c2)Cl	2
+O=C(OC)C(C(=O)OC)(CNC(c1ccc(cc1)OCC#CC)=O)N2CCNCC2	2
+CC(C)(C)OC(N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNS(=O)(=O)c2ccc(cc2)OCC#CC)=O	71
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	93
+C1CNCCN1C(=O)OCCCC	2
+CC(C)N1CCC(CC1)Oc2cc3c(cc2Cl)[nH]c(c3)C(N4CCNCC4)=O	2
+C1CN(CCN1)C(=O)c2ccc(cc2)-c3nc(-c4nc5cnccc5o4)c(N)nc3	2
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)C(=O)O	1
+c1cc(ccc1F)C(N2CCNCC2)C	2
+C1CNCCN1C(=O)c2ccc3n(c(c(C)n3)-c4ccccc4)c2	2
+C1CC1(C(=O)N2C(C(NC3(CC3)C#N)=O)CC(S(=O)(=O)c4ccccc4Cl)C2)N5CCNCC5	2
+C1CNCCN1C2CCC(CC2)(Cc3ccccc3C)OC	2
+C1CNCCN1CC#N	2
+c1cc(ccc1Oc2ccccc2)NC(=O)CN3CCNCC3	2
+C1CN(CCN1)CC(=O)c2ccc(cc2)F	2
+CC(C)(C)OC(=O)N1CCN(CC1)CC(O)c2ccc3C=Cc4c(cc(-c5cn(C)nc5)cn4)C(=O)c3c2	4111
+C1CN(CCN1)CC=2CC(C)(C)CCC=2c3ccc(cc3)Cl	2
+C1CN(CCN1)CC2=Nc3ccc(cc3C(N2c4ccccc4)=O)[N+](=O)[O-]	2
+CC(C)(C)OC(=O)N1CCN(CC1)CC2=C(c3ccc(cc3)Cl)CCC(C)(C)C2	7274
+CC(C)(C)OC(=O)N1CCN(CC1)CCn2ncc3cc(ccc23)Oc4ccc(cc4CN)F	107
+C1CC(CCC1)C(NC(c2c3c(ccc(F)c3)nc(-c4ccccc4)c2CN5CCNCC5)=O)C	2
+C1COCCN1C(=O)c2c(ccc(Cl)c2)CN3CCNCC3	2
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(C(O)=O)c3c(nc2-c4ccccc4)cccc3	1
+CC(C)(C)OC(N1CCN(CC1)Cc2c(cc(-c3cc(ncc3)C)cc2)F)=O	498
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c3OC(=Cc4c[nH]c5c4cccc5)C(=O)c3cc(Cl)c2O	2506
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2nc3c(ccc(F)c3)cc2C(C)Nc4ncnc(N)c4C#N	40
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(ccc3C(=O)C(=Cc4[nH]nc5c4cc(cc5)Cl)Oc23)O	4112
+CC(C)(C)OC(N1CCN(CC1)Cc2c(ccc3C(C(Oc23)=Cc4cn(c5ccccc45)S(=O)(=O)C)=O)O)=O	2506
+C1CNCCN1Cc2cc(ccc2N3CCCC3)Cl	2
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc3sc(-c4c(cccc4)N)nc3c2	0
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(Cl)cc2N3Cc4ncnn4CC3	79
+C1CN(CCN1)Cc2ccc(Cl)cc2N3Cc4ncnn4CC3	2
+c1cc(ccc1C2Nc3cccc4c3c(C2c5ccc(cc5)F)nnc4O)CN6CCNCC6	2
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCOc3ccc(cc3)C	20
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCO	35
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(cc(cc2)Cl)C(O)=O	1
+CN(C)c1cc(ccc1)C(=O)Nc2cccc(c2)-c3nc4c(ccc(CN5CCNCC5)n4)o3	2
+C1CNCCN1Cc2cccc3C(=O)C(Oc23)=Cc4n[nH]c5ncccc45	2
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cccc3C(=O)C(Oc23)=Cc4n[nH]c5ncccc45	4112
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc3c(nc(s3)-c4ccccc4NC(c5cccc(-c6[nH]nnn6)c5)=O)c2	67
+C1CN(CCN1)Cc2nc3c(ccc(F)c3)cc2C(C)Nc4ncnc(N)c4C#N	2
+CC(C)(C)OC(N1CCN(CC1)NC(=O)c2cc3ccccc3n2Cc4noc(c4)-c5ccc(Cl)s5)=O	2096
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2c(ccc(c2)[N+](=O)[O-])Oc3cc(ccc3Cl)Cl	415
+O=S(=O)(c1c(ccc(c1)[N+](=O)[O-])Oc2cc(ccc2Cl)Cl)N3CCNCC3	2
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2cc(ccc2Cl)C(N(C)C)=O	30
+C1CNCCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C	2
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)N	0
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(Cl)cc(cc2Cl)OCC=C(Cl)Cl	7275
+c1(cc(cc(Cl)c1N2CCNCC2)OCC=C(Cl)Cl)Cl	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(cnc2N)OCc3cccc(Cl)c3	1335
+CC(C)(C)OC(N1CCN(CC1)c2ccc(C(=O)OC)cc2I)=O	158
+C1CN(CCN1)c2ccc(C(NC3CC3)=O)cc2C	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(Cl)cc(cc2Cl)O	5
+CC(C)(C)OC(N1CCN(CC1)c2c(cccc2)-c3ccc(cc3)C=O)=O	11
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)CN(C)C	48
+C1CNCCN1c2ccccc2CN(C)C	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)NS(=O)(=O)C	80
+CC(C)(C)OC(N1CCN(CC1)c2ccccc2N(S(=O)(=O)C)C)=O	418
+C1CNCCN1c2nc(N)nc3-c4ccccc4OCCc23	2
+C1CNCCN1c2c3c(ccc(CCC(OC)=O)n3)ccc2	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(-c3nc4c(n3C)cccc4)c2	1652
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(c(-n3c(C)ccc3C)c2)N	0
+CC(C)(C)OC(N1CCN(CC1)c2cccc(c2)C(Nc3ccccc3N)=O)=O	67
+CC(C)(C)OC(N1CCN(CC1)c2cc(NC(CNc3cc(c(cc3)F)F)=O)c(cc2)Cl)=O	1391
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(ccc(c2)O)NC(c3c4ccccc4ccc3)=O	16
+C1CN(CCC1)CCCOc2ccc(N3CCNCC3)cc2F	2
+c1nc(ncc1)NC2c3c(N(C(=O)C)C(C4CC4)C2C)ccc(N5CCNCC5)c3	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(C(=O)c3cccnc3N)c4c(cccc4)c2	905
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(c(cc2)NC(=O)c3ccc(o3)C#N)-n4c(C)ccc4C	1129
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(Cl)c(c2)N	1497
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc3c(c2)cc(C(OCC)=O)o3	4113
+CC(C)CC(C(NCC#N)=O)Cc1ccccc1-c2ccc(cc2)N3CCNCC3	2
+C1CN(CCN1)c2ccc(cc2)-c3ccc(Cl)c(N4C(C(NCC#N)=O)CC(C4)C)c3	2
+FC(F)(F)c1ccc(nc1)C#Cc2cnc(cc2)N3CCN(CC3)S(=O)(=O)C	7276
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(nc(-c3cc(OC(C4CC(=O)NC4)C)c5scnc5c3)cc2)OC	4114
+C1CNCCN1c2cc(ccc2)-c3c(F)cc(F)cc3	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(c2)-c3ccnc4[nH]c5ccccc5c34	2070
+C1CN(CCN1)c2cccc(c2)C#N	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(C(=O)O)ccc2	6
+C1CNCCN1c2cc(ccc2)CN3C(CCCc4ccccc34)=O	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(B(O)O)c2	281
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(-c3c(F)cc(F)cc3)c2	11
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)N	0
+CC(C)(C)OC(N1CCN(CC1)c2c(Cl)c(Cl)ncc2)=O	395
+C1CNCCN1c2nc(cnc2N)OCc3cccc(Cl)c3	2
+c1cc(ccc1CCNc2nc(nc(n2)N(C)CCCc3ccc(cc3)Cl)N4CCNCC4)O	2
+c1cc(ccc1NC(=O)Nc2ccncc2)-c3nc(nc(N4CCNCC4)n3)N5CC6CCC(C5)O6	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc(N3CC4CCC(C3)O4)n2)-c5ccc(cc5)NC(=O)Nc6ccncc6	1680
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc3ccccc23)NC4CCN(C4)Cc5ccccc5	798
+c1ccccc1CC(=O)N2CC(CC2)Nc3nc4c(c(n3)N5CCNCC5)cccc4	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc3ccccc23)NC4CNCC4	25
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc3ccccc23)NC4CCN(C(=O)Cc5ccccc5)C4	58
+CC(C)(C)OC(=O)N1CCN(CC1)C=2C(=O)N(CCOc3c(cc(F)c(F)c3)F)c4ccccc4N=2	7277
+C1CNCCN1c2ccc(-c3cn4c(nc3)ncc4C5(CC5)c6cc7cccnc7cc6)cn2	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc3ccccc3c(C(=O)c4cccnc4F)n2	7278
+c1cc(ccc1Cl)-c2nccnc2N3CCNCC3	2
+C1CNCCN1c2nccnc2Cl	2
+CC(C)(C)OC(N1CCN(CC1)c2c3ncn(C)c3ncn2)=O	4115
+C1CN(CCN1)c2oc(C3CCC4N(C(=O)N3C4)OCc5ccccc5)nn2	2
+CC(C)(C)OC(=O)N1CCN(Cc2c(Cl)cc(cc2)N)CC1C	0
+CC(C)(C)OC(=O)N1CCN(c2ccc(nc2)NC3=CC(=CN(C3=O)C)Br)CC1C	523
+CC(C)(C)OC(=O)N1CCN(CC1CCOc2c(cccc2)F)C(OCc3ccccc3)=O	262
+CC(C)(C)OC(=O)N1C(CCn2cnc3c2cccc3)CN(C(=O)OCc4ccccc4)CC1	4088
+CC(C)(C)OC(N1C(CCn2c3ccccc3cn2)CN(CC1)C(=O)OCc4ccccc4)=O	7279
+CC(C)(C)OC(N1CCN(C(=O)OCc2ccccc2)CC1CCNc3ccc(cc3)C(=O)C)=O	2127
+CC(C)Cc1cc-2c(OCc3c(nn(-c4cscc4)c-23)C(=O)N5CCNCCC5)cc1OC	2
+N1(CCCNCC1)c2oc(nn2)C	2
+CC(C)C1COC(=O)N1c2nc(ncc2)NC(C)c3ccc(cc3)CN4CC(C)(C)NCC4	2
+CC(C)(C)OC(=O)N1CCNCC1CCO	25
+Clc1ccc(N2CCCNCC2)c(Cl)c1	2
+C1CC1N2C=C(C(OCC=C)=O)C(c3cc(F)c(c(c23)OC)N4CCNC(C4)C)=O	2
+c12c(c(OCCCC(OC)=O)c(C)cc1cccn2)N3CCCNCC3	2
+CC(C)(C)OC(=O)N1CCN(c2c3ccc(nc3n(CC)c2)OCc4ccccn4)C(C1)=O	430
+N1CC(=O)N(c2c3ccc(nc3n(CC)c2)OCc4ncccc4)CC1	255
+O=S(=O)(N1CCN(CC1)c2cnc(cc2)N3CCNc4ccccc34)C5CC5	396
+C1CN(CCN1c2ccc(N3CCNc4ccccc34)nc2)S(=O)(=O)CC	396
+CC(C)(C)OC(=O)N1CCN(c2ccc(nc2)NC3=CC(=CN(C3=O)C)Br)C(CC)C1	523
+CN1C=C(C=C(C1=O)Nc2ccc(N3C(CC)CNCC3)cn2)Br	2
+N1CCN(CC1C)c2ccc(NC3=CC(=CN(C)C3=O)Br)nc2	2
+CC(C)(C)OC(=O)N1CCN(CC1C)c2cnc(cc2)N	161
+CC(C)(C)OC(=O)N1CCN(c2ncc(cc2)N3CCNCC3)c4ccccc14	62
+CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCN(CC3)S(=O)(=O)CC)cn2)c4ccccc14	112
+C1CC12NCCN(c3c4c(ncn3)[nH]cc4)C2	2
+c1cc(ccc1OCC2CN3C(CNCC3)CC2)F	2
+C1CC(Cn2c3c(cc(cc3)F)cc2)CN4CCNCC14	2
+CC(C)(C)OC(=O)N1CCN2C(CCC(Cn3c4ccc(cc4cc3)F)C2)C1	7280
+CC(C)(C)OC(N1CCN(C(OCc2ccccc2)=O)C(C1)c3ccccc3)=O	66
+C1CNCCN1	2
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(N2CCN(CC2)C(OC(C)(C)C)=O)=O	10
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCO[Si](C)(C)C(C)(C)C	48
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)CCN2CCN(CC2)C(=O)OC(C)(C)C	7281
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2[nH]c3cc(Cl)c(OC4CCN(CC4)C(C)C)cc3c2)=O	147
+CC(C)(C)OC(=O)N1CCN(CC1)CC=2CC(C)(C)CCC=2Br	7282
+CC(C)(C)OC(=O)N1CCN(CC1)C(C#Cc2cccc(c2)Cl)CC	7283
+CC(C)(C)OC(=O)N1CCN(CC1)C(OCCCC)=O	66
+CC(C)(C)OC(N1CCN(CC1)C(c2c(F)cccc2)C#N)=O	7284
+CC(C)(C)OC(N1CCN(CC1)C(NCc2ccc(cc2)C#N)=O)=O	1893
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(Cl)cc2Br	48
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2C(=O)OC)Cl	48
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccnc(c2)Cl	264
+CC(C)(C)OC(N1CCN(CC1)c2n(-c3ccccc3Cl)c4c(N(C)C(N(C)C4=O)=O)n2)=O	4116
+CC(C)(C)OC(N1CCN(CC1)c2nc(ccc2)N)=O	43
+FC(F)(F)C(N1CCN(CC1)C(=O)OC(C)(C)C)=O	520
+FC(F)(F)C(C)(C)NC(=O)c1cc(CN2CCN(CC2)C(=O)OC(C)(C)C)ccc1	171
+FC(F)(F)COc1ccc(cc1)N2CCN(CC2)C(OC(C)(C)C)=O	79
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3nc(ccc3ccc2)CCC(OC)=O	1563
+CC(C)(C)OC(N1CCN(CC1)c2cccc(C)c2[N+](=O)[O-])=O	908
+FC(F)(F)c1ccccc1C(=O)N2CCN(CC2)C(=O)OC(C)(C)C	115
+FC(F)(F)c1cc(C(=O)OC)ccc1CN2CCN(CC2)C(=O)OC(C)(C)C	131
+FC(F)(F)c1cccc(N2CCC(C2)O)c1CN3CCN(CC3)C(=O)OC(C)(C)C	48
+FC(F)(F)c1cc(Br)cc(c1)N2CCN(CC2)C(OC(C)(C)C)=O	34
+FC(F)(F)c1cc(ccc1C#N)-n2nnnc2CN3CCN(CC3)C(=O)OC(C)(C)C	894
+CC(C)(C)OC(N1CCN(CC1)C(=O)c2nc3ccc(Oc4ccc(C(F)(F)F)nc4)cc3cc2)=O	147
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)OC(C)(C)C	92
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(OC(C)(C)C)=O	361
+FC(F)(F)c1n2c(nn1)ccc(N3CCN(CC3)C(OC(C)(C)C)=O)n2	212
+CC(C)(C)OC(=O)N1CCN(CC1)CCc2ccc(C#N)c(c2)OC(F)F	61
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(c(-c3nc4N(S(=O)(=O)N(c4cc3)CC5CC5(F)F)C)c2)C)=O	889
+CC(C)(C)OC(N1CCN(CC1)c2cccnc2Cl)=O	2064
+CC(C)(C)OC(N1CCN(CC1)C(c2cc(nc3c2c(nn3C4CCCCO4)I)Cl)=O)=O	30
+CC(C)(C)OC(=O)N1CCN(CC1)C#N	739
+CC(C)(C)OC(=O)N1CCN(CC1)CC#N	1576
+CC(C)(C)OC(N1CCN(CC1)c2cc(c([N+]([O-])=O)c(N)c2)C)=O	34
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(N)c(F)c2	30
+CC(C)(C)OC(N1CCN(CC1)C(=O)C2Oc3ccc(Cl)cc3C2)=O	10
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)C=O	34
+CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O	123
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2cc(ccc2Cl)C(=O)O	92
+CC(C)(C)OC(N1CCN(CC1)S(=O)(=O)c2cccc3ccccc23)=O	92
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(F)c(F)c(S(=O)(=O)C3CC3)cc2	34
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2	92
+CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4	1148
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(O)c2)=O	54
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncnc3nc[nH]c23	1310
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(cn2)C(=O)O)Cl)=O	43
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(CN3C(CCCc4ccccc34)=O)c2	79
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cc2)[N+](=O)[O-])=O	43
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc3c(n2)nc(-c4cccc(c4)[N+]([O-])=O)o3)=O	596
+CC(C)(C)OC(N1CCN(CC1)c2c(cccc2Cl)[N+](=O)[O-])=O	202
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3ccn(C)c3c2)C(C)N)=O	3372
+CC(C)(C)OC(=O)N1CCN(CC1)c2nccnc2Cl	317
+CC(C)(C)OC(N1CCN(CC1)c2c(ccc(F)c2C#N)F)=O	34
+CC(C)(C)OC(N1CCN(CC1)c2nccc(c2)-c3c(F)c(F)ccc3)=O	43
+CC(C)(C)OC(N1CCN(CC1)c2ccc(C(OC)=O)cc2[N+](=O)[O-])=O	34
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(nc2OC)Cl	244
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(-n3c(C)ccc3C)c([N+](=O)[O-])cc2	202
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2cccc3c(C=O)c[nH]c23)=O	211
+CC(C)(C)OC(N1CCN(CC1)c2scc(n2)-c3c(c(F)ccc3)F)=O	641
+CC(C)(C)OC(N1CCN(CC1)c2cc(cc(C)n2)OCC)=O	323
+CC(C)(C)OC(=O)N1CCN(CC1)C2Cc3c(ccc(N4C(c5c(C4=O)cccc5)=O)c3)CC2	85
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3c(-c4ccccc4OCC3)nc(N)n2	54
+CC(C)(C)OC(N1CCN(CC1)CCCCN2C(c3c(C2=O)cccc3)=O)=O	28
+CC(C)(C)OC(N1CCN(CC1)c2nc3c(c4ncnn24)c(c(Br)cc3)F)=O	7285
+CC(C)(C)OC(N1CCN(CC1)C(CCc2c3C(CCCc3[nH]c2)=O)=O)=O	10
+CC(C)(C)OC(N1CCN(CC1)c2c(F)cc(C(=O)OC)cc2)=O	34
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2c(F)ccc(CO)c2	30
+CC(C)(C)OC(N1CCN(CC1)c2cncc(n2)Cl)=O	317
+CC(C)(C)OC(N1CCN(CC1)Cc2cc3c([nH]c(n3)-c4c(cn[nH]4)NC(c5c(cccc5F)F)=O)cc2)=O	48
+CC(C)(C)OC(N1CCN(CC1)c2nc3cc(F)cc(F)c3c(c2C)Cl)=O	286
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)Br	79
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2C(OC)=O)F)=O	34
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(c(c2)C=O)O	79
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(F)cc(cc2)Br	48
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc3C(C=C(c4nc5cc(C)ccn5c4)Oc3cc2)=O	79
+CC(C)(C)OC(N1CCN(CC1)c2cnc3c(cc(Br)cc3)n2)=O	1322
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(N)ncc(Br)n2	2089
+CC(C)(C)OC(N1CCN(CC1)c2c3ccncc3cc(n2)-c4cc(ncc4)Cl)=O	43
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cc3nc(-c4c(cccc4)[N+](=O)[O-])sc3nc2	619
+CC(C)(C)OC(N1CCN(CC1)C2(c3c(cc(Cl)cc3)NC2=O)Cc4cccc(Cl)c4)=O	7286
+CC(C)(C)OC(=O)N1CCN(CC1)CCn2ncc3cc(ccc23)Oc4c(cc(cc4)F)C#N	61
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(C(OC)=O)c3ccccc3nc2-c4ccccc4	619
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2c(n(-c3ccccc3)c4cnc(cc24)OC)Cl	211
+c1cc(ccc1)C(c2ccccc2)CC(=O)N3CCN(CC3)C(=O)OC(C)(C)C	10
+CC(C)(C)OC(N1CCN(CC1)CCCCc2cn(c3c(nc(CCCC)nc23)N)COCc4ccccc4)=O	61
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc(cc2-c3ccc(cc3)Cl)F	619
+CC(C)(C)OC(=O)N1CCN(CC1)c2nccnc2-c3ccc(cc3)Cl	317
+CC(C)(C)OC(=O)N1CCN(CC1)c2n3nc(c(-c4ccc(cc4)Cl)c3nc(C)c2)-c5c(cccc5)Cl	1575
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)C(=O)OCC)=O	34
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)C(C)=O)=O	171
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)F)C	2030
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)C(OC)=O)=O	30
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)C3Nc4cccc5c4c(C3c6ccc(cc6)F)nnc5O	48
+CC(C)(C)OC(N1CCN(CC1)CCc2ccc(cc2)CCc3nc(NC(=O)C)sc3)=O	28
+CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)c2ccc(cc2)F	676
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)NCC3CC3	30
+CC(C)(C)OC(N1CCN(CC1)c2nc(C(C)C)cc(Nc3ccc(cc3)C)n2)=O	117
+CC(C)(C)OC(N1CCN(CC1)C(=O)Oc2ccc(cc2)[N+](=O)[O-])=O	66
+CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)Nc2ccc(cc2)Oc3ccccc3	1228
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)[N+]([O-])=O	92
+CC(C)(C)OC(N1CCN(CC1)C(c2c(c(-c3ccccc3)n4c2cc(cc4)Br)Cc5c(C)c(F)ccc5)=O)=O	211
+CC(C)(C)OC(N1CCN(CC1)c2nnc(c(-c3ccccc3)c2)Cl)=O	212
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2cn3c(-c4ccccc4)c(nc3cc2)C)=O	211
+CC(C)(C)OC(N1CCN(CC1)C(C2CCCCN2C(OCc3ccccc3)=O)=O)=O	10
+CC(C)(C)OC(N1CCN(CC1)c2cc(OCc3ccccc3)ccc2[N+]([O-])=O)=O	34
+CC(C)(C)OC(N1CCN(CC1)c2cncc(OCc3ccccc3)c2)=O	244
+CC(C)(C)OC(=O)N1CCN(CC1)CC2=Nc3ccc(cc3C(=O)N2c4ccccc4)[N+](=O)[O-]	4077
+CC(C)(C)OC(N1CCN(CC1)C(=O)Nc2noc3c2cccc3)=O	437
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc3c(cc2)N(C(=O)C)C(C4CC4)C(C3Nc5ncccn5)C	79
+C1CNCCN1c2sc3cc(ccc3n2)C(OC)=O	7287
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(Cl)c2)=O	54
+CC(C)(C)OC(N1CCN(CC1)c2ccnc(Cl)n2)=O	54
+CC(C)(C)OC(N1CCN(CC1)Cc2cnc(F)cc2)=O	619
+CC(C)(C)OC(N1CCN(CC1)c2c3n(cc(n2)Br)cnn3)=O	2072
+CC(C)(C)OC(N1CCN(CC1)c2c3c(nc(cc3)C)ncn2)=O	778
+CC(C)(C)OC(N1CCN(CC1)Cc2cscn2)=O	2446
+CC(C)(C)OC(N1C(CN(c2c3c(ncn2)cc(Cl)c(Br)c3)CC1)C(=O)OC)=O	54
+CC(C)(C)OC(=O)N1C(C(OC)=O)CN(CC1)Cc2cc(ccc2)-c3ccnc(Cl)n3	48
+CC(C)(C)OC(N1C(CCCC)CN(CC1)C(=O)c2cccc3ccccc23)=O	30
+CC(C)(C)OC(=O)N1C(CN(CC1)C(=O)OCc2ccccc2)CCO	66
+CC(C)(C)OC(=O)N1CCOC(C1)CNc2c3c(cc(-c4cn(nc4)C)n2)nccn3	1675
+CC(C)(C)OC(=O)N1CCOC(C1)Cc2cc(CO)ccc2	41
+CC(C)(C)OC(=O)N1CCOC(Cc2cc(COC)ccc2)C1	76
+CC(C)(C)OC(=O)N1CCOC(C1)Cc2cc(C=O)ccc2	146
+CC(C)(C)OC(=O)N1CC(OCC1)COc2nc(-c3ccc(cc3)N4CCOCC4)cc5nccnc25	3821
+CC(C)(C)OC(=O)N1CC(C(c2ccc(Cl)c(c2)Cl)OCC1)CN	18
+CC(C)(C)OC(N1CCOCC(n2c3ncnc(c3c(n2)-c4ccc(cc4)Oc5ccccc5)N)C1)=O	918
+CC(C)(C)OC(=O)N1CCOCC1CO	21
+C1COCC(CO)N1C	352
+CC(C)(C)OC(=O)N1C(COCC1)COC(=O)N2CCN(CC2)c3ccc(cc3)F	2078
+Clc1cccc(c1)-c2onc(C3NCCOC3)c2	2
+CC(C)(C)OC(N1c2cc(C=O)ccc2OCC1)=O	146
+CC(C)(C)OC(N1C(CSCC1)CCN)=O	51
+N1(CCCC1=O)c2ccc(Oc3cc4CCNCCc4cc3)nc2	2
+c1(cc2CCNCCc2cc1)Oc3c(F)cc(I)cc3	2
+n1c(oc2ccc3c(c12)CCNCC3)C	2
+CC(C)(C)OC(N1CCc2c(CC1)cn(-c3ccc(cc3)NS(=O)(=O)C)n2)=O	1158
+CC(C)(C)OC(N1CCc2nn(-c3ccc(cc3)S(=O)(=O)C)cc2CC1)=O	1158
+CC(C)(C)OC(N1CCc2c(c(ccc2CC1)Cl)CCl)=O	438
+CC(C)(C)OC(=O)N1CCc2c3ccc(cc3n(c2C1)C)Br	144
+c1c(C)cc(C)c2c1c3CNCCc3n2C	2
+c1cnccc1N2CCC(CC2)COc3ccc4c(CNCC4)c3	2
+CC(C)(C)OC(=O)N1CCc2cc(OC)c(N)cc2CC1	0
+c1ccc(OCc2nccc(C)c2)c(-c3cc4c(cc3)CCNCC4)n1	2
+CC(C)(C)OC(=O)N1CCc2c(nc3ccnn3c2N4C(COC)CC4)CC1	76
+c1c(cc2n(C)c3CNCCc3c2c1)Br	2
+FC(F)(F)c1ccc(cn1)COC2=CC(=O)N(C=C2)c3ccc4c(c3)n(c5c4CCN(C5)C(=O)OC(C)(C)C)C	2027
+CC(C)(C)OC(=O)N1CCc2c(n(C)c3c2ccc(c3)N4CCN(CC4=O)CCc5ccccc5)C1	2653
+CC(C)(C)OC(=O)N1CCc2c(C1)n(c3c2ccc(N4C=CC(=CC4=O)c5ccc(cc5)Cl)c3)C	2793
+CC(C)(C)OC(N1CCc2cc3nc(oc3cc2CC1)C)=O	2794
+CC(C)(C)OC(=O)N1CCc2cc(c(cc2CC1)OC)NS(=O)(=O)c3ccc(cc3)-c4sc(cc4)Cl	1373
+CC(C)(C)OC(=O)N1CCc2cc(NS(=O)(=O)c3ccc(cc3)I)c(cc2CC1)OC	69
+CC(C)(C)OC(=O)N1CCc2c(cc(c(c2)[N+]([O-])=O)OC)CC1	77
+c1cc(cc2CCNc12)OCCCCN(CC=C)C	396
+CC(C)(C)OC(=O)N1CCc2cc(Oc3ccc(C(NC)=O)cc3OC)ccc2CC1	14
+c1c(c(ccc1C(NC)=O)Oc2cc3CCNCCc3cc2)OC	2
+c1cc(cc2CCNc12)SCCO	396
+c12c(c(F)c(Br)cc1CCN2)C(=O)O	396
+CC(C)(C)OC(=O)N1CCc2cc(Oc3c(cc(cc3)C(O)=O)OC)ccc2CC1	1
+O=C(c1ccc(Oc2cc3CCNCCc3cc2)nc1)NC	2
+CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Oc3ncc(-c4onc(n4)C)cc3	7288
+CC(C)(C)OC(N1CCc2c(CC1)c(Cc3cccnc3)c(cc2)Cl)=O	7289
+c1(-c2onc(C)n2)ccc(Oc3cc4CCNCCc4cc3)nc1	2
+CC(C)(C)OC(N1CCc2c3ccccc3n(c2CC1)CCOCC)=O	21
+C1CCCCN1C(=O)c2c3c(on2)CCNC3	2
+CC(C)(C)OC(N1CCn2c(c(cn2)I)C1)=O	1160
+CC(C)(C)OC(N1Cc2n(cc(-c3cc(ccc3)F)c2C(OCC)=O)CC1)=O	1866
+CC(C)(C)OC(=O)N1CCn2c(c(c(C(O)=O)c2C1)-c3cccc(c3)F)Br	6
+C1CNCc2c(c(-c3cc(F)ccc3)c(Br)n12)C(=O)N	2
+CC(C)(C)OC(=O)N1Cc2n(c(Br)c(c2C(n3cncc3)=O)-c4cccc(c4)F)CC1	7290
+O=S(=O)(C)c1cc2n3c(C(NCC3)C(C)C)nc2cc1COC(C)=O	2
+CC(C)(C)OC(=O)N1Cc2ncc(Cl)n2CC1	844
+CC(C)(C)OC(=O)N1CCn2c3c(nc2C1C(C)C)cc(CO)c(S(=O)(=O)C)c3	88
+CC(C)(C)OC(=O)N1CCn2c(nc3cc(COC(C)=O)c(S(=O)(=O)C)cc23)C1C(C)C	204
+CC(C)(C)OC(=O)N1C(Cc2c3c(cccc3)n(Cc4ccc(cc4)F)c2C1)C(=O)N	190
+N1Cc2n(nc(-c3cc(F)ccc3)c2C(=O)N)CC1	2
+CC(C)(C)OC(=O)N1Cc2c(ccc(C3C(Nc4ccc(C#N)cc34)=O)n2)C1	4117
+C1CCC1(c2c3CN(C(Nc4cc(ccc4)Cl)=O)CCc3[nH]n2)C	7291
+CC(C)(C)OC(N1Cc2c(c(-c3nnn[nH]3)c(s2)NC(C)=O)CC1)=O	7292
+CC(C)(C)OC(N1Cc2sc3ncnc(Cl)c3c2CC1)=O	779
+C[Si](C)(C)CCOCn1c2c(nc1I)CN(CC2)C(OC(C)(C)C)=O	1073
+C1c2c(CC1Nc3nc4c(CNCC4)cn3)cccc2	2
+c1cc(CNc2c3c(nc4ccc(cc24)C#N)CCNC3)cc(Cl)c1OC	2
+c1nc2c(c(Nc3cc4c(nc3)cccc4)n1)CNC2	2
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(c2CC1)C)Br)=O	144
+CC(C)(C)OC(N1Cc2c(ccc(-c3ccc(cc3)-c4n(ccn4)C(=O)OCC(C)C)c2)OCC1)=O	11
+CC(C)(C)OC(N1CCn2c(C1)c(C=O)c3cc(OC)ccc23)=O	287
+CC(C)(C)OC(=O)N1CCOc2c(ccc(O)c2)C1	16
+CC(C)(C)OC(=O)N1Cc2c(c(c(C#N)n2CC1)-c3cccc(c3)F)C(=O)O	6
+CC(C)(C)OC(N1Cc2c(C(=O)N)ccn2CC1)=O	745
+n1cnsc1-c2nnc3CNCCn23	2
+CC(C)(C)OC(=O)N1CCn2c(c(c(C(=O)N)c2C1)-c3cc(ccc3)F)Br	7293
+CC(C)(C)OC(=O)N1Cc2c(CC1)c3c(ccc(N4C=CC(=CC4=O)OCc5ccccc5)c3)n2C	1614
+CC(C)(C)OC(N1Cc2c(C1)c(N3C(COCC3)C)nc(n2)-c4ccc(cc4)NC(NC5CC5)=O)=O	261
+Clc1n2CCNCc2nc1	2
+CC(C)(C)OC(=O)N1Cc2c(CC1)c3c(O)ncnc3s2	7294
+CC(C)(C)OC(=O)N1N(C)C(c2c1cc(cc2)N)=O	0
+Clc1ccc(C#N)c(C2=CC(=O)N(C(C(Nc3cc4NN(C(=O)c4cc3)C)=O)C)C=C2)c1	7295
+CC(C)(C)OC(=O)N1N(C)C(=O)c2ccc(cc12)NC(C(N3C=CC(c4c(ccc(Cl)c4)C#N)=CC3=O)C)=O	33
+O=S1(=O)N(c2ccccc2)CCCCN1	7296
+CC(C)(C)OC(=O)N1c2cc([N+](=O)[O-])c3c(cccc3)c2C(COC)C1	21
+CC(C)(C)OC(N1c2c(C)c(ccc2CC1)N)=O	0
+c1cc(c(c2c1CCN2)C)[N+]([O-])=O	396
+c1cc2c(cc1Br)C=C(CCN2)C(=O)OC	396
+CC(C)(C)OC(=O)N1CCC(=Cc2cc(ccc12)-c3cc(c(OCC)cc3)F)C(=O)OC	750
+C1Oc2cc(ccc2NC1CC(OCC)=O)Br	396
+CC(C)(C)OC(=O)N1CC(CCl)c2c3ccccc3c(cc12)O	16
+CC(C)(C)OC(=O)N1c2ccc(cc2CC1)C(=O)Nc3cnc4c(cccc4)c3	487
+c1([N+]([O-])=O)ccc2C(CNc2c1)CCl	396
+CC(C)(C)OC(=O)N1c2c(cccc2CCC1)C=CC(OC)=O	7297
+c12C(CCl)CNc1cc(OC(C)=O)c3c2cccc3	396
+CC(C)(C)OC(N1c2c(C(CO)C1)c3c(cccc3)c([N+]([O-])=O)c2)=O	88
+CC(C)(C)OC(=O)N1c2c(cccc2CCC1)C=O	151
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cc(-c3c(C)cccc3N)ccc2)c(SC)s1	7298
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cccc(-c3c(C)cccc3CO)c2)c(SC)s1	7299
+CC(C)(C)OC(=O)N=C1NC(=O)N(CCC(F)CN=[N+]=[N-])C=C1	310
+CC(C)(C)OC(=O)N=C1NC(C)(c2cc(NC(c3ccn(C(F)F)n3)=O)ccc2F)Cn4c(C#N)c(Cl)nc14	187
+CC(C)(C)OC(=O)N=C1NC2(c3c(F)ccc(NC(=O)c4ccc(cn4)Cl)c3)C(CCS1)C2	187
+CC(C)(C)OC(NC1=NC2(c3c(ccc(c3)NC(c4ccc(Br)cn4)=O)CC(C)(C)C2)CO1)=O	7300
+Clc1cnc(cc1)C(Nc2ccc(c(C34C(CCSC(N)=N3)C4)c2)F)=O	7301
+CC(C)(C)OC(=O)N=C1NC2(C(CCS1)C2)c3c(ccc(N)c3)F	0
+CC(C)(C)OC(=O)N=C1NC2(CC(C)(C)Cc3ccc(cc23)N)CO1	3860
+CC(C)(C)OC(=O)NC(=N)c1c(cc(OCCON)cn1)O	670
+CC(C)(C)OC(=O)NC(=N)c1c(O)cc(cn1)OCCON2C(c3c(cccc3)C2=O)=O	1920
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cccc(-c3c(NC(NCCN)=O)cccc3C)c2)c(SC)s1	3817
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cc(-c3c(cccc3NC(CCC(=O)O)=O)C)ccc2)c(SC)s1	3
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cccc(-c3c(C)cccc3COCCC(=O)OCC)c2)c(SC)s1	7302
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cccc(-c3c(cccc3C)COCCC(O)=O)c2)c(SC)s1	3
+O=S(=O)(c1c(SC)sc(c1)C(=N)N)c2cccc(c2)-c3c(cccc3C)COCCC(O)=O	4118
+c1cc(ccc1)COC(COc2cc(C)c(c(c2)C)S(=O)(=O)OCC(C(C(N)CC(C)C)=O)(O)C)=O	7303
+CC(C)C(CC(O)c1nc(cs1)C(OC)=O)N(CCC)C(=O)C(N)C(C)C	84
+c1cc(ccc1CC(N)C(=O)N(C)C)OCC#CC	84
+CC(C)(C)OC(NC(CCCC)C=O)=O	378
+CC(C)(C)OC(NC(C1=Nc2c(c(Cl)ccc2)C(=O)N1C3CC3)C)=O	7304
+CC(C)(C)OC(=O)NC(C(=O)C)CCCNC(=O)OCc1ccccc1	7305
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=S)N	199
+NC(Cc1ccc(Br)nc1)C(N)=O	84
+CC(C)(C)OC(=O)NC(CC(C)C)C(N1C(C(O)=O)CCC1CC)=O	3
+CC(C)(C)OC(=O)NC(C(=O)N1C(CCC1)C#N)CCC(=O)O	3
+C1CC(CCN1C(=O)C(N)C)CCc2c(nc(C)nc2N)Cl	84
+CC(C)(C)OC(=O)NC(C(C)C(O)=O)C(N1CCCC1)=O	4
+C1CN(CCN1C(OCc2ccccc2)=O)C(=O)C(N)CC(C)C	84
+CC(C)(C)OC(=O)NC(C(NC(Cc1c[nH]c2c1cccc2)C(=O)NN)=O)CC(C)C	561
+CC(C)(C)OC(=O)NC(C(NC(C(C)C)C(=O)NC(C(C)C)C(=O)O)=O)COCC=C	4
+CC(C)(C)OC(NC(Cc1c(F)ccs1)C(NC2(C(C2)c3ccccc3)C(=O)N)=O)=O	83
+C1CCC(C1)NC(=O)C(CC#N)N	84
+CC(C)(C)OC(=O)NC(C(NC1C(Nc2c(cccc2C1)N3CCCC3=O)=O)=O)CC(C)C	2795
+CC(C)C(C(NCCS)=O)N	84
+C1CC12COc3c(ccc(Oc4ccc(cn4)NC(=O)C(N)CC)c23)C	84
+c1cc(ccc1Oc2cc3c(COC3)cc2)NC(=O)C(C)N	84
+n1cc(cnc1Oc2ccc(c3c2C4(CC4)CO3)C)NC(C(N)CC)=O	84
+c12c(CC(C1)C3NC(=O)C(N(Cc4ccccc4[N+]([O-])=O)C3=O)C(CC)CC)cccc2	4119
+c12c(CC(C1)C3NC(=O)C(N(Cc4ccccc4CO)C3=O)C(CC)CC)cccc2	4119
+CC(C)(C)OC(=O)NC1C(Nc2c(ccc(c2)F)OC1)=O	33
+CC(C)(C)OC(=O)NC(C(=O)O)COc1ccc(cc1N)F	0
+CC(C)(C)OC(NC(C(N(c1ccc(cc1)OC)C)=O)Cc2cc(Br)ccc2)=O	429
+CC(C)(C)OC(NC(C(=O)O)C1CCC(CC1)NC(=O)OCc2ccccc2)=O	4
+CC(C)(C)OC(=O)NC(C(=O)OC)CCC(OS(=O)(=O)C)CNC(OCc1ccc(cc1)[N+](=O)[O-])=O	7
+CC(C)(C)OC(NC(CCC(SC(C)=O)CNC(=O)OCc1ccc(cc1)[N+](=O)[O-])C(OC)=O)=O	2128
+c1ccccc1COC(NCCCCC(C(OC)=O)N)=O	689
+CC(C)(C)OC(NC(C=O)Cc1ccc(cc1)Oc2ccc(cc2)Cl)=O	59
+CC(C)(C)OC(=O)NC(Cc1ncc(cc1)CCCC(C)O)C(=O)OC	3475
+CC(C)(C)OC(NC(CCCC(C)N)C(=O)OCC)=O	499
+CC(C)(C)OC(NC(C(=O)O)CCc1nc2cc(Cl)c(cc2n1CCC)Cl)=O	210
+CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NC(CC(C)C)C(O)=O	2445
+CC(C)(C)C(N)C(N1CCC(N=[N+]=[N-])C1C(=O)NC(Cc2ccc3ccccc3c2)C(=O)OC)=O	84
+CC(C)(C)OC(NC(C(C)C(OC)=O)c1[nH]c2ccc(cc2n1)C(C)(C)C)=O	442
+CC(C)(C)OC(=O)NC(C(c1onc(-c2c(Cl)cc(cc2)NS(=O)(=O)C)n1)C)C(=O)N3CCCC3	859
+CC(C)CC(N(C)C(=O)C(N)C(C)C)C(NC(C(Cc1ccccc1)=O)C)=O	84
+C1CN(CCC1Cc2ccc(Cl)c(Cl)c2)C(C(C(C)C)N)=O	84
+CC(C)C(C(N1CCCC1Cc2c3ccccc3oc2CCC(OCC)=O)=O)N	84
+CC(C)(C)OC(=O)NC(C(C)C)C(N1CC(N(CC1)C(=O)c2ccc(cc2)Cl)C(=O)O)=O	4
+CC(C)C(C(=O)OC1C(C#C)(C(OC1CO)n2c3c(cc2)c(N)ncn3)O)N	689
+C1C(CN1CC(NC)C(C)CC)O	352
+CC(C)(C)OC(NC(C)c1c(cc2c(F)cccc2n1)C(OCC)=O)=O	7306
+C1CCCCC1CC(N)C(CCC(C)C)O	12
+CC(C)(C)OC(NC(Cc1ccccc1)(C(CNC(=O)c2cc(nc(N(S(=O)(=O)C)C)c2)Cl)=O)C)=O	86
+CC(C)(C)OC(=O)NC(C(CN(C(OCc1ccccc1)=O)CC(C)C)O)Cc2ccccc2	66
+CC(C)(C)OC(NC(C(=O)N(c1ccc(cc1)OC)C)Cc2cccc(CO)c2)=O	41
+c1cc(ccc1CC(C(=O)N)N)S(=O)(=O)c2ccccc2	84
+CC(C)(C)OC(=O)NC(C(=O)N1C(CC)CN(CC1)C(Cc2ccc3ccccc3c2)C(NC)=O)Cc4ccc(cc4)Cl	9
+CC(C)(C)OC(=O)NC(C(N1CCN(CC1CC)C(Cc2cc3ccccc3cc2)C(=O)O)=O)Cc4ccc(cc4)Cl	4
+CC(C)(C)OC(NC(CC1CCCCC1)C(N)C)=O	18
+CC(C)(C)OC(=O)NC(C(NCCc1cc(c(OCC#Cc2ccc(cc2)Cl)cc1)OC)=O)C(C)C	7307
+CC(C)(C)OC(=O)NC(C(NCCc1cc(OC)c(O)cc1)=O)C(C)C	16
+CC(C)(C)OC(=O)NC(C1=Nc2cccc(c2C(=O)N1c3ccc(cc3)F)Cl)CC	2796
+CC(C)(C)OC(NC(C(=O)NCCc1ccc(c(OC)c1)OCc2cccc3ccccc23)C(CC)C)=O	9
+CC(C)(C)OC(=O)NC(C(Nc1cccc(Cl)c1C(Nc2ccc(cc2)F)=O)=O)CC	33
+CC(C)(C)OC(=O)NC(C(=O)Nc1cnc(nc1)Oc2ccc(c3c2C4(CC4)CO3)C)CC	1681
+CC(C)(C)OC(=O)NC(C(=O)N(C)OC)CCCC	164
+c1cc(ccc1)CN2CC(NC(CCCC)C2=O)=O	7308
+CC(C)(C)OC(=O)NC(C(=O)N)Cc1cnc(cc1)Br	83
+CC(C)(C)OC(NC(C(Nc1ncccc1C(=O)c2ccc(cc2)F)=O)c3sccc3)=O	142
+C1CCCN1C(=O)C(N)C(C)O	84
+CC(C)(C)OC(NC(CO)C(C)C)=O	95
+CC(C)(C)OC(NC(C(=O)O)CC=1CCCC=1)=O	4
+CC(C)(C)OC(NC(CO)C(=O)NCCN)=O	248
+CC(C)(C)OC(NC(C(O)=O)Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC)=O	4
+CC(C)(C)OC(=O)NC(C(OCc1ccccc1)=O)CCC(=O)Nc2cc(c(cc2NCCC)Cl)Cl	291
+CC(C)(C)OC(NC(C(=O)OCc1ccccc1)CCc2nc3c([nH]2)cc(C)c(C)c3)=O	791
+CC(C)(C)OC(=O)NC(C(=O)OCc1ccccc1)CCc2n(c3cc(c(Cl)cc3n2)Cl)CCC	1264
+CC(C)(C)OC(NC(C(O)=O)Cc1c2c(cccc2)n(c1)CC(OCC)=O)=O	210
+CC(C)(C)OC(=O)NC(CCCNC(OCc1ccccc1)=O)C(NC(C)(C)c2ccccc2)=O	7309
+CC(C)(C)OC(=O)NC(C)C(c1ccc(cc1)CC)O	74
+CC(C)(C)OC(NC(C(=O)c1ccccc1)CC)=O	3852
+C(C)C(C)(C(=O)Nc1ccc(nc1)Oc2c3c(OCC(C3)C)ccc2)N	84
+CC(C)(C)OC(=O)NC(C)(C)C(=NO)N	609
+CC(C)(C)OC(=O)NC(C)(C)c1noc(n1)C	2584
+CC(C)(C)OC(NC(C)(C)C=O)=O	378
+n1cc(cnc1Oc2cccc3OCC(C)(C)c23)NC(=O)C(C)(C)N	84
+CC(C)(c1nc(C)on1)N	12
+Fc1cccc(F)c1COc2n3c(c(C(NCC(CCC)(C)N)=O)c(C)n3)ccc2	12
+c1cc(ccc1)C#Cc2cc(cc(NC(=O)C(N)C)n2)Cl	84
+CC(C)(C)OC(=O)NC(c1n(C2CC2)c3c(Br)c(ccc3n1)F)C	1264
+c1cc(ccc1OC)CC(NC(=O)C(C)N)C(NC(CC2=CCCC2)C(=O)C3(CO3)C)=O	84
+C(c1cccc(OC)c1)(O)C(C)N	12
+c1cc(ccc1C(O)C(C)N)CC	12
+CC(C)(C)OC(=O)NC(C)C(O)c1cccc(c1)OC	74
+CC(C)(C)OC(=O)NC(C)Cn1c2c3c(ccc2cn1)OCC(CN=[N+]=[N-])O3	600
+CC(C)(C)OC(=O)NC(Cn1c2c(c(N)ncn2)c(-c3ccc(cc3F)Oc4ccccc4)n1)C	920
+CC(C)(C)OC(NC(C)c1c(c(c2c(ccc(c2)F)n1)-c3nnc(C)o3)-c4ncccc4)=O	877
+c1cc(-n2c3c(c(c2C(N)C)Cl)cccc3)cc(c1)F	12
+CC(C)(C)OC(=O)NC(c1cccc(c1)Oc2cc(Cl)ccc2N)C	0
+CC(C)(C)OC(=O)NC(C)c1c(c2c(cccc2)n1-c3cccc(F)c3)Cl	573
+FC(F)(F)c1[n+]([O-])cc(C(C)NC(=O)OC(C)(C)C)cc1	103
+C(C=1N=C2N(C(=O)C=1c3cc(F)ccc3)C(=CS2)C)(C)N	4120
+C1CC1N2C(c3c(N=C2C(CC)N)cccc3Cl)=O	12
+CC(C)(C)OC(=O)NC(C)C1=Nc2c(C(=O)N1c3cc(ccc3)C(N)=O)c(ccc2)Cl	1079
+c1cc(ccc1F)N2C(c3c(cccc3Cl)N=C2C(N)CC)=O	12
+CC(C)(C)OC(NC(C(CC(Cc1cccc(F)c1)C(O)=O)O)Cc2ccccc2)=O	1392
+CC(C)(C)OC(NC(Cc1ccccc1)C(CC(Cc2c(cc(cc2)OC)OC)C(=O)O)O)=O	1392
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccccc2)C3CC(Cc4ccc(cc4)OC)C(=O)O3	4121
+c1ccccc1COC(N2C(CC(CC2)C(CC)N)C(N)=O)=O	12
+CC(C)(C)OC(NC(C(O)CC(Cc1ccc(cc1)OC)C(O)=O)Cc2ccccc2)=O	1392
+CC(C)(C)OC(NC(CO)CCc1ccc(cc1)Br)=O	374
+CC(C)(C)OC(=O)NC(CC#CC)CNc1cccc(c1)Cl	291
+CC(C)(C)OC(=O)NC(CC#CC)C(O)=O	3
+CC(C)(C)OC(NC(C(=O)N(C)OC)CC#CC)=O	164
+CC(C)(C)OC(=O)N(C)C(CC#N)Cc1ccccc1	397
+c1cc(ccc1C(CC#N)N)-c2ccccc2	12
+CC(C)(C)OC(NC(c1ccc(cc1)Cl)CCN)=O	51
+c12c(CC(NC(CC(Cc3ccccc3F)N)=O)C(N1)=O)cccc2	12
+CC(C)(C)OC(NC(C=O)CC(C(C)C)Cc1cc2c(cccc2OCCOC)cc1)=O	24
+CC(C)(C)OC(=O)NC(C(O)C=C(CCOC1OCCCC1)CO)CC(C)C	4122
+CC(C)(C)OC(=O)NC(CC(C)C)C(C=C(C(O)=O)CCOC1CCCCO1)O	108
+CC(C)(C)OC(=O)NC(CC(C)C)C(N1C(CC)CCC1C(N)=O)=O	83
+CC(C)(C)OC(NC(C(O)=O)CC#N)=O	143
+CC(C)(C)OC(NC(c1ccccc1Cl)CCO)=O	21
+CC(C)(C)OC(=O)NC(CC)(CC)C(NC)=O	9
+C(C)C(CC)(N)C(NC)=O	84
+CC(C)(C)OC(NC(CN)CC)=O	18
+CC(C)(C)OC(=O)NC(CC)CN=[N+]=[N-]	133
+CC(C)(C)OC(NC(CO)CC=C(F)F)=O	95
+CC(C)(C)OC(=O)NC(c1nc(-c2n(ncc2N)C)ccc1)CC=C	209
+CC(C)(C)OC(=O)NC1c2nc(ccc2)-c3c(cnn3C)NC(C(C)C=CC1)=O	4123
+CC(C)(C)OC(NC(CCI)C(OC)=O)=O	1273
+CC(C)(C)OC(=O)NC(CCOc1ccc(cc1)CCCCNC(OCc2ccccc2)=O)C(=O)OC	8
+c1cc(ccc1CCC(N)(C)CCC(=O)O)OCCCCCCC	12
+CC(C)(C)OC(=O)NC(C(=O)N1C(CCC1)C#N)CCC(=O)OCC	143
+CC(C)(C)OC(=O)NC(CCC(OC)=O)COS(=O)(=O)c1ccc(cc1)C	36
+CC(C)(C)OC(=O)NC(CN=[N+]=[N-])CCC(OC)=O	254
+CC(C)(C)OC(NC(CCC=CC(OCC)=O)C(NC=1C(N(CC(=O)NCC(CC)CC)C=CC=1)=O)=O)=O	7310
+CC(C)(C)OC(NC(C(OC(C)(C)C)=O)CCCCNCC(CCl)O)=O	122
+CC(C)(C)OC(NC(CCCCNCc1ccccc1)C(OC(C)(C)C)=O)=O	42
+CC(C)(C)OC(=O)NC(CN)CCCCNC(=O)OC(C)(C)C	18
+CC(C)(C)OC(=O)NC(CCCCNC(=O)OC(C)(C)C)CN=[N+]=[N-]	133
+CC(C)(C)OC(NCCCCC(NC(OC(C)(C)C)=O)CO)=O	21
+CC(C)(C)OC(NC(C(=O)N)CCCCN)=O	102
+CC(C)(C)OC(=O)NC(C(=O)OC)CCCCNC(OCc1ccccc1)=O	325
+CC(C)(C)OC(NC(C(=O)N1C(C(=O)NCCCc2ccccc2)CCC1)CCCN)=O	102
+CC(C)(C)OC(=O)NC(CCCNC(=O)OCc1ccccc1)C(=O)N2C(C(NCCCc3ccccc3)=O)CCC2	2654
+CC(C)(C)OC(=O)NC(C(=O)N(OC)C)CCCNC(=O)OCc1ccccc1	164
+CC(C)(C)OC(=O)NC(C(Oc1c(cccc1)[N+]([O-])=O)=O)CCCNC(=O)OCc2ccccc2	7311
+c1(ncn(n1)-c2c(cc([N+]([O-])=O)cc2)OCCCC(C)N)C	12
+CC(C)(C)OC(NC(C(=O)OC)CCCc1nc[nH]c1)=O	27
+c1cc(ccc1S(=O)C2CN(C2)CCC(N)CO)Cl	12
+c1cc(ccc1Cl)C(CCNS(=O)(=O)C)N	12
+CC(C)(C)OC(=O)NC(CCOc1ccccc1)C(OC)=O	20
+CC(C)(C)OC(=O)NC(COC)CCI	343
+c1cccc2-c3ccccc3C(c12)COC(=O)NCC(CCOC)(CCOC)N	12
+CC(C)(C)OC(NC(c1cc(c(cc1)Cl)Cl)CCI)=O	572
+CC(C)(C)OC(NC(C(N)=O)CCOc1ccc(cc1)CCCCNC(OCc2ccccc2)=O)=O	327
+c1ccccc1OCCC(N)C(=O)OC	689
+CC(C)(C)OC(=O)NC1C(=O)N(c2ccc(cc2)OCc3ccccc3)CC1	7312
+CC(C)(C)OC(=O)NC(CCSC)C(Nc1ccc(cc1)OCc2ccccc2)=O	33
+CC(C)(C)OC(NC(CCc1ccc(cc1)Br)C(C)O)=O	684
+CC(C)(C)OC(NC(CCc1ccc(cc1)OCCCCCCC)(C=CC(=O)O)C)=O	108
+CC(C)(C)OC(NC(CCc1ccc(cc1)OCCCCc2ccccc2)(CO)CC)=O	59
+CC(C)(C)OC(=O)NC(C)CNc1nc(ccn1)-c2oc(nc2-c3c(F)c(NS(=O)(=O)C)cc(c3)Cl)C4CC4	306
+CC(C)(C)OC(=O)NC(CNCC(Cn1c2ccc(F)cc2c3c1ccc(F)c3)O)C	122
+CC(C)(C)OC(NC(CNC(=O)C1CC(CN1C(=O)OCc2ccccc2)O)CCCCNC(=O)OC(C)(C)C)=O	9
+CC(C)(C)OC(=O)NC(CNC(CNc1sc(cn1)CO)=O)C(=O)OC	4124
+CC(C)(C)OC(=O)NC(CCS(=O)(=O)C)CN(Cc1cc(ccc1)Cl)C(=O)OCc2ccccc2	66
+OCC(CO)(N)CN1CCc2cc(ccc12)OCc3oc4c(c(Cl)cc(Cl)c4)c3	12
+CC(C)(C)OC(NC(C(C)(C)c1ccccc1)CN2C(=O)c3c(C2=O)cccc3)=O	332
+CC(C)(C)OC(NC(CO[Si](C)(C)C(C)(C)C)CC=C)=O	19
+C1C(CN1CCC(N)CO)Oc2ccc(cc2)Cl	12
+c1cc(ccc1Cl)SC2CN(C2)CCC(N)CO	12
+CC(C)(C)OC(=O)N1C(Cc2ccc(c(Cl)c2)O)COC1(C)C	2797
+CC(C)(C)OC(N1C(C)(C)OCC1Cc2ccc(cc2)O)=O	2797
+CC(C)(C)OC(=O)NC(COS(=O)(=O)C)c1cc([N+]([O-])=O)ccc1	7
+c1cc(ccc1)CNC(=O)C(COC)N	84
+CC(C)(C)OC(NC(COC)CN)=O	18
+CC(C)C(COCc1ccccc1)N	12
+CC(C)(C)OC(=O)NC(COc1ccc(cc1C(C)(C)C(F)(F)F)Cl)C	262
+CC(C)(C)OC(NC(CC#N)C)=O	300
+CC(C)(C)OC(=O)NC(CSC)C	786
+CC(C)(C)OC(=O)NC(COc1ccc-2c(OCc3cnc(cc-23)NC(=O)C)c1F)CC(C)C	262
+CC(C)(C)OC(=O)NC(CC#N)Cc1ccccc1	677
+CC(C)(C)OC(=O)NC(COc1noc(c1)C(=O)O)C	1
+FC(F)(F)C(C)(C)c1cc(ccc1OCC(C)N)Cl	12
+CC(C)(C)OC(=O)NC(COc1cc(on1)C(=O)Nc2cc(ccc2O)O)C	768
+CC(C)(C)OC(NC(C(=O)OC)CSCc1ccc(cc1)-c2cc(ccc2)CN3c4cc(ccc4CCC3)C(F)(F)F)=O	7313
+C[Si](C)(C)CC(NC(O)=O)C(=O)NC1(CC1)C#N	7314
+CC(C)(C)OC(=O)NC(C(=O)NC1(C(O)=O)C(c2ccccc2)C1)Cc3c(F)ccs3	4
+CC(C)(C)OC(NC(Cc1c[nH]c2c1cccc2)C(=O)NC(C(=O)N(C(CCCC)C(N)=O)C)CC(C)C)=O	348
+c1c2c(c[nH]c2ccc1)CC(N)C(N)=O	84
+c1(C)cc(cc(C)c1)CC(C(NCC#N)=O)N	84
+CC(C)(C)OC(=O)NC(Cc1cc(F)cc(c1)F)c2c(ccc(n2)C#CC(C)(C)O)C=3C=CC=4N(C=3C)C(NN=4)=O	7315
+Fc1cc(cc(F)c1)CC(c2c(C3=C(N4C(C=C3)=NNC4=O)C)ccc(C#CC(C)(C)O)n2)N	12
+c1cc(ccc1)COc2cccc(CC(N)C(=O)OCC)c2	689
+CC(C)(C)OC(NC(C(CNCc1cc(ccc1)C(C)C)O)Cc2cccc(c2)CC=C)=O	122
+CC(C)(C)OC(NC(C(=O)OC)Cc1ncc(CCCc2ccc3cccnc3n2)cc1)=O	4078
+CC(C)(C)OC(=O)NC(c1[nH]nnn1)Cc2ccc(cc2)-c3cc(Cl)ccc3	2612
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)-c2cc(Cl)ccc2)C(=O)O	11
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)CF)c2nc3ccccc3[nH]2	442
+c1cc(ccc1CC(N)c2[nH]c3c(cccc3)n2)CF	12
+CC(C)(C)OC(NC(C(=O)N)Cc1ccc(cc1)I)=O	83
+c1cc(ccc1OC(C)C)CC(N)C(=O)N(C)C	84
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OC(C)C)C(=O)N(C)C	10
+CC(C)(C)OC(NC(Cc1ccc(cc1)OC)C(NC(CC=2CCCC=2)C(C3(CO3)C)=O)=O)=O	612
+CC(C)(C)OC(=O)NC(c1nc2ccccc2[nH]1)Cc3ccc(cc3)OC	442
+CC(C)(C)OC(=O)NC(C(=O)N(C)C)Cc1ccc(cc1)OCC#CC	10
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)c2[nH]nnn2	1104
+CC(C)(C)OC(NC(C(=O)N)Cc1ccc(cc1)OCC=C)=O	83
+CC(C)(C)OC(NC(C=O)Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC)=O	24
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccccc2)C(CC(Cc3ccc(cc3)OC)C(=O)O)O	1392
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)Oc2ccc(cc2)C(=O)NO)C(=O)N(C)C	514
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)Oc2ccc(cc2)C(O)=O)C(=O)N(C)C	500
+CC(C)(C)OC(NC(C(O)=O)Cc1ccc(cc1)S(=O)(=O)c2ccccc2)=O	4
+CC(C)(C)OC(=O)NC(Cc1cc(ccc1)OCCCOS(=O)(=O)C)C2OC(=O)N(Cc3cc(ccc3)C(C)C)C2	7
+CC(C)(C)OC(=O)NC(Cc1cc(OCc2ccccc2)ccc1)C(=O)OCC	22
+CC(C)(C)OC(=O)NC(Cc1ccccc1)(C)c2cnc(-c3cc(N(C)S(=O)(=O)C)nc(c3)NC(C)C4CC4C)o2	70
+CC(C)(C)OC(NC(C(CCl)O)Cc1ccccc1)=O	100
+CN(C)C(=O)C(Cc1ccccc1)N	84
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C=O	378
+CC(C)(C)CCNC(=O)C(CC(C(Cc1ccccc1)N)O)C	12
+CC(C)(C)OC(=O)NC(C(CNCC(C)C)O)Cc1ccccc1	122
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(CN(Cc2ccccc2)C)O	170
+CC(C)(C)OC(=O)NC(Cc1ccccc1)CNc2ccccc2	291
+C1CN(CCC1(Cc2ccc(cc2)C#N)C(OCC3CCCCC3)=O)C(=O)C(Cc4sccc4)N	84
+C(N)(C(=O)N)Cc1cccnc1	84
+CC(C)(C)OC(=O)NC(C(=O)OC)Cc1ccc(cn1)C#CCC(O)C	2379
+CC(C)(C)OC(=O)NC(Cc1ccc(CCCC(C)=O)cn1)C(=O)OC	86
+CC(C)(C)OC(=O)NC(Cc1c(F)ccs1)C(=O)NC2(C(OC)=O)CC2c3ccccc3	188
+c1ccccc1Oc2cc(c(-c3nn(CC(C)N)c4ncnc(N)c34)cc2)F	12
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)Cc1c(cc(cc1OC)C#N)OC	7316
+CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)Cc1ccccc1OCc2ccccc2	7317
+c1cc(ccc1-c2cc(Cl)ccc2)CC(c3[nH]nnn3)N	12
+CC(C)(C)OC(NC(c1c(c(C)ccc1)C)CC#Cc2cccc(C)c2)=O	121
+CC(C)(C)OC(=O)NC(CCOS(=O)(=O)C)c1ccc(c(Cl)c1)Cl	7
+CC(C)(C)OC(=O)NC(CO)c1cccc([N+]([O-])=O)c1	95
+CC(C)(C)OC(=O)NC(C)c1cc(Oc2cc(Cl)ccc2[N+](=O)[O-])ccc1	46
+c1cc(ccc1Cl)C(CC(OC)=O)N	12
+CC(C)(C)OC(=O)NC(c1cc(ccc1)O)C	5
+CC(C)(C)OC(=O)NC(C)c1cccc(Oc2c(NCCCC(=O)OCC)ccc(c2)Cl)c1	601
+CC(C)(C)OC(=O)NC(C)c1cccc(N)c1	0
+C(c1c(c(Cl)ccc1)Cl)(CCO)N	12
+CC(C)(C)OC(=O)NC(c1ccccc1)COc2ccc(N)c(N)c2	0
+C1CC1n2c(nc3c2c(Br)c(cc3)F)C(C)N	12
+C1COCCC1C(c2n(Cc3ccccc3)cc(-c4c(ccc(F)c4)F)n2)N	12
+c1cc(ccc1)CC(c2nccn2Cc3c(cccc3)OC)N	12
+c1cc(ccc1OC)CC(N)c2[nH]c3c(cccc3)n2	12
+c1(C(N)C)nc(C)no1	12
+FC(F)(F)c1ccc(cc1)-c2cc(nc(n2)C#CCC3(CCN(C)C3=O)N)C	84
+CC(C)(C)OC(NC1(C(=O)OC)CCCC1O[Si](C)(C)C(C)(C)C)=O	19
+C1CC1(S(=O)(=O)NC(=O)C2(CC2C=C)N)CCC	84
+CC(C)(C)OC(=O)NC1(C)CCCC1NC(=O)OC2CC(C)CCC2C(C)C	101
+CC(C)(C)OC(NC1(C(CCC1)NC(=O)c2c(-n3nccn3)cccc2)C)=O	14
+CC(C)(C)OC(=O)NC1(CC1CC)C(NS(=O)(=O)OC2(CC2)C)=O	344
+NC1(C(OC(C)=O)CCC1)CNc2ccc(C#N)c(Cl)c2C	12
+CC(C)(C)OC(=O)NC1(C(=O)OC)C(CCC1)O	118
+FC(F)(F)c1ccc(cc1)-c2ccnc(n2)C#CCC3(CCN(C)C3=O)N	84
+CC(C)(C)OC(NC1(CC(C1)=O)C2CC(=O)N(C2)Cc3ccccc3)=O	86
+CC(C)(C)OC(NC1(CC(C1)OCc2ccccc2)C3CNC(=O)C3)=O	1980
+CC(C)(C)OC(NC1(CC(F)(F)C1)c2onc(-c3ccc(c(NC(=O)c4n5ccccc5nc4)c3)C)n2)=O	859
+C1CC1(C(NCc2ccc(cc2)-n3c4c(c(Cl)c3-c5noc(n5)C)cccc4)=O)N	84
+c1cc(ccc1C2(CC2)N)-c3c(-c4ccccc4)nc-5n3-c6c(Nc7ccccc-57)nccc6	12
+CC(C)(C)[Si](C)(C)OCC1c2c3c(ncnc3sc2CC1)OC4CCC(CC4)(NC(OC(C)(C)C)=O)C	7318
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2ncnc3c2c4C(CCc4s3)CC#N)C	300
+CC(C)(C)OC(=O)N(C1(CCC(CC1)Oc2ncnc3c2c4C(CCc4s3)CC#N)C)C	397
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2ncnc3sc4CCC(CC(=O)N)c4c23)C	527
+C1CC(CCC1Oc2ncnc3sc4CCC(CC(=O)N)c4c23)(N)C	12
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2c3c4c(CCC4COS(=O)(=O)C)sc3ncn2)C	7
+CC(C)(C)OC(=O)NC1(CCC1)CCN2CC(C2)Oc3ccc(cc3)Cl	15
+C1N(CC1Oc2ccc(cc2)Cl)CCC3(CCC3)N	12
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(c4C(=O)N(C(S(=O)(=O)C)=Nc4o3)C)-c5ccccc5	7319
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3nc4ccc(C(=O)O)nn4c3-c5ccccc5	6
+c1ccccc1-c2n3nc(ccc3nc2-c4ccc(cc4)C5(CCC5)N)C(=O)OCC	12
+c1cc(ccc1)-c2c(nc3n2nc(Cl)c(C)c3C)-c4ccc(cc4)C5(CCC5)N	12
+c1cc(ccc1-c2nc3c(c(c(nn3c2-c4ccccc4)SC)C)C)C5(CCC5)N	12
+FC(F)(F)Cc1nnc2n1-c3c(nc(-c4ccc(cc4)C5(CCC5)NC(=O)OC(C)(C)C)c(-c6ccccc6)c3)OC2	7320
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(n4nc(ccc4n3)C(=O)OC)-c5ccccc5	272
+c1ccccc1-c2cn3c(nc2-c4ccc(cc4)C5(CCC5)N)c6c(ccc(F)c6)n3	12
+C1CCC1(c2ccc(cc2)-c3oc4NC(N(C)C(=O)c4c3-c5ccccc5)=NCCOC)N	12
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(n4c(c(C)c(C)c(Cl)n4)n3)-c5ccccc5	2413
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(n4nc(c(c(c4n3)C)C)SC)-c5ccccc5	2413
+CC(C)(C)OC(=O)NC1(C(CCC1)N)C	7321
+CC(C)(C)OC(=O)NC1(CCCCC1)CNc2c3ccccc3ncc2N	13
+CC(C)(C)OC(NC1(CN(CCC1)c2c3c(ncc2N)CCC3)C)=O	13
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2cccnc2N)C	161
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(NC(c4ccc(cc4)Cl)CC(=O)O)=O	4
+CC(C)(C)OC(NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(=O)NC(CCO)c4ccc(cc4)Cl)=O	21
+O=S(=O)(C)c1cnc(N2CCC(CC2)(C)N)cc1	12
+FC(F)(F)c1c(-c2nc(C(Nc3ncccc3N4CCC(CC4)(NC(=O)OC(C)(C)C)C)=O)c(nc2)N)nccc1OC	2683
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2cccnc2NC(=O)c3c(N)ncc(-c4ncccc4F)n3)C	2683
+C1CN(CCC1(C)N)c2c(NC(=O)c3c(N)ncc(-c4ncccc4F)n3)nccc2	12
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(C(=O)N)Cc2ccc(cc2)I)=O	207
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc(C)c(cc3)C#N)=O	143
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc(F)c(cc3)F)=O	143
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc4c(OC(N4CCCOC)=O)cc3)=O	143
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3ccc4c(N(C(CO4)=O)C)c3)=O	143
+CC(C)(C)OC(=O)NC1(COC(C)(C)OC1)CN2CCc3cc(ccc23)OCc4oc5c(c(Cl)cc(Cl)c5)c4	7322
+CC(C)(C)OC(=O)NC(CO)(CO)CN1c2c(cc(cc2)OCc3oc4c(c(Cl)cc(Cl)c4)c3)CC1	1192
+CC(C)(C)OC(NC1(COC(C)(C)OC1)c2oc3ccc(cc3c2)-c4nc(on4)-c5cc(Cl)c(cc5)OCCC)=O	1246
+CC(C)(C)OC(=O)NC12CC3CC1CC(C2)(C3)CN4C(c5c(cccc5)C4=O)=O	332
+CC(C)(C)OC(=O)NC12C3CC(C1)CC(CO)(C3)C2	118
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)(OS(=O)(=O)C)C2)=O	7
+CC(C)(C)OC(=O)NC12CC3CC(C1)OC(C(C2)C3)=O	4125
+c12c(C(=O)N(C1=O)CC34CC5(CC(CC5C3)C4)N)cccc2	12
+FC(F)C1(COCC(=N1)N)c2c(F)c(F)cc(c2)NC(=O)c3ncc(C#N)cc3C	4118
+c1cc(ccc1)C2N(C(=O)C(CCC2)N)CC3CC3	84
+C1CCN(CC(OC)=O)C(=O)C(N)C1	84
+CC(C)(C)OC(=O)NC1C(=O)N(Cc2ccc(cc2)-c3ccccc3CN)c4c(cccc4)CC1	107
+CC(C)(C)OC(=O)NC1C(N(c2ccc(cc2)O)CC1)=O	16
+CC(C)(C)OC(=O)NC1C(=O)N(Cc2ccc(cc2)-c3c(C#N)cccc3)c4c(cccc4)CC1	1126
+CC(C)(C)OC(=O)NC1COC(=O)C(CC)C(C(C)OC1=O)OC(=O)C(C)C	7323
+CC(C)(C)OC(=O)NC1COC(=O)C(C(OC(C(C)C)=O)C(OC1=O)C)CCOS(=O)(=O)C	7
+CC(C)(C)OC(NC1CN(CC(C2CC2)C1O)c3c4CCCc4ncc3[N+]([O-])=O)=O	264
+CC(C)(C)OC(=O)NC1CC(=C)CC1C(O)=O	4
+CC1(C)C(CC1N)C(NCCC(=O)OC)=O	12
+CC(C)(C)OC(=O)NC1C(CC(O)C1)C(OC)=O	167
+CC(C)(C)OC(NC1CC(Oc2cc(nc3cc(OC)ccc23)-c4ccccc4)CC1C(=O)O)=O	260
+O=S(=O)(c1cc(Nc2c3c(CNC3=O)cc(NC4C(N)CCC4)n2)ccc1)C	12
+O(C(=O)C1CCCCC1N)C	12
+N#CCC1CCCCC1N	12
+Clc1c(nc(c2c1CNC2=O)-c3cn(C)nc3)NC4CCCCC4N	12
+n1cccnc1-c2cc(ccc2)Nc3c(C#N)ncc(n3)NC4CCCCC4N	12
+CC(C)(C)OC(NC1CCCCC1OS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)NC1C(CCNC1)N2C(c3ccccc3C2=O)=O	62
+CC(C)(C)OC(=O)NC1CN(CCC1N2C(c3c(cccc3)C2=O)=O)C(=O)C	58
+CC(C)(C)OC(NC1CN(CC1O[Si](C)(C)C(C)(C)C)Cc2ccccc2)=O	19
+CC(C)(C)OC(NC1C(CNCC1)OC)=O	62
+CC(C)(C)OC(=O)N(C1C(F)CN(C1)C(OCc2ccccc2)=O)C	397
+C1CC(CCC1)C(N2CC(C(N(CC(=O)c3ccccc3C)c4cc(C)ccc24)=O)N)=O	84
+CC(C)(C)C(N1c2ccccc2N(C(C(N)C1)=O)CC(c3ccccc3C)=O)=O	84
+CC(C)(C)OC(=O)NC1C(=O)N(c2ccc(cc2)OCc3c(cccc3F)F)CC1	22
+CC(C)(C)OC(NC1C(=O)N(C)c2ccccc2N(C1)C(=O)c3ccccc3)=O	448
+FC(F)(F)c1cc(c(C(=O)NC2CCCC2NC(OC(C)(C)C)=O)c(SC)c1)OC	14
+CC(C)(C)OC(=O)NC1CCCC1Nc2ncc(nc2)C(F)(F)F	464
+CC(C)(C)OC(=O)NC1C(Nc2nc(c(c(c2)C#N)C(OC)=O)Nc3cc(ccc3)S(=O)(=O)C)CCC1	70
+CC(C)(C)OC(=O)NC1CCSC2N(C(C(=O)O)CCC2)C1=O	4
+CC(C)(C)OC(NC1CCN(Cc2ccc3ccnc(Cl)c3c2)C1=O)=O	806
+CC(C)(C)OC(NC1C(=O)N(c2c(ccc(F)c2)OC1)C)=O	239
+Cc1cc(cc(C)c1)Nc2cc(NC3CCCCC3N)nnc2C(N)=O	12
+CC(C)(C)OC(=O)NC1CCS(=O)(=O)CC1Nc2cnc(C#N)c(Nc3cc(OC)cc(C)n3)c2	2645
+CC(C)(C)OC(=O)NC1CCCCC1Nc2cc3c(C(=O)NC3)c(n2)-c4cnn(C)c4	2798
+CC(C)(C)OC(=O)NC1C(CCC1)Nc2cc3CNC(c3c(Nc4cccc(S(=O)(=O)C)c4)n2)=O	2798
+CC(C)(C)OC(NC1CNCCC1O)=O	62
+CC(C)(C)OC(=O)NC1C(CCN(C(=O)OCc2ccccc2)C1)N3C(=O)c4ccccc4C3=O	1579
+C(N1C(=O)C=Nc2ccc(OC)cc12)CN3CCC(N)C(C3)OC	12
+C(N1C(=O)C=Cc2ccc(C#N)cc12)CN3CCC(N)C(C3)OC	12
+CC(C)(C)OC(=O)NC1C(OC)CN(CC1)CCN2C(C=Cc3c2cc(cc3)C#N)=O	160
+c1c2CC(OC)C(N)c2ccc1	12
+CC(C)(C)OC(=O)NC1C2(CC2)CN(C1)c3c(cc(c(F)c3OC)C(O)=O)F	6
+CC(C)(C)OC(NC1C2C1CN(C2)C(c3ccc(cc3)NC(c4ccc(cc4)F)=O)=O)=O	30
+c1cc(ccc1NC(=O)C2CC(CC2N)=C)Cl	12
+CC(C)(C)OC(=O)NC1CC(CC1C(=O)O)=O	7324
+CC(C)(C)OC(=O)NC1CC(=C)CC1C(Nc2ccc(cc2)Cl)=O	33
+c1(cc2NC(=O)COc2cc1)N3CC(N)CC3=O	12
+C1CN(CCO1)C(=O)C2CC(C2(C)C)N	12
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(=O)C3(CC(CC3)NC(=O)OC(C)(C)C)C(C)C	10
+CC(C)(C)OC(=O)NC1CCC(C(N2Cc3cc(C(F)(F)F)ccc3CC2)=O)(C(C)C)C1	10
+CC(C)(C)OC(=O)NC1CN(CC(C)C1)c2ccncc2[N+](=O)[O-]	264
+CC(C)(C)OC(NC1CC(C1)CN=[N+]=[N-])=O	133
+CC(C)(C)OC(=O)NC1CC(c2c(cncc2)NC(=O)c3ccc(c(Br)n3)F)CC(C)C1OC(=O)C	510
+CC(C)(C)OC(=O)NC1CC(CC(c2c(cncc2)NC(=O)c3nc(c(F)cc3)-c4c(F)cc(cc4F)C=C)C1)C	443
+CC(C)(C)OC(=O)NC1CC(CC(c2c(cncc2)NC(=O)c3nc(-c4c(cc(cc4F)CC)F)c(F)cc3)C1)C	1393
+CC(C)(C)OC(=O)NC1CCC(C(=O)N)C1	327
+CC(C)(C)OC(=O)NC1CC(CC1)COS(=O)(=O)c2ccc(cc2)C	36
+CC(C)(C)OC(=O)NC1CC(CC1)n2c3c4ccn(c4ncc3nn2)S(=O)(=O)c5ccccc5	7325
+c1ccccc1-c2nc(C3CCC(N)C3)on2	12
+c1cc(ccc1)S(=O)(=O)n2ccc3c2ncc4nnn(C5CC(CC5)N)c34	12
+CC(C)(C)OC(=O)NC1C(CC(C1)O)C(=O)O	100
+CC(C)(C)OC(NC1CCCC(NC(c2ccc(nc2)-c3cccc(F)c3)=O)C1)=O	56
+CC(C)(C)OC(=O)NC1CC(CCC1)Nc2nc(ncc2F)-c3cn(c4ncc(cc34)F)S(=O)(=O)c5ccc(cc5)C	4126
+c1cc(ccc1C)S(=O)(=O)n2cc(c3cc(cnc23)F)-c4nc(c(F)cn4)NC5CCCC(N)C5	12
+C1CN(CCO1)CC2CC(N)CC2	12
+CC(C)(C)OC(=O)NC1CC(N(C1)C(=O)CN(C(=O)OC(C)(C)C)C)C(=O)O	4
+c1ccccc1COC(NC2C(=O)N(C3C(CC(N)CC3)NC(C)=O)CC2)=O	12
+CC(C)(C)OC(=O)NC1CC(CC1)Nc2c(N)cnc3n(S(=O)(=O)c4ccccc4)ccc23	13
+CC(C)(C)OC(NC1CC(OC)C(CC1)CO)=O	95
+FC(F)(c1ccccc1)c2nc(on2)C3CC(N)CC3	12
+CC(C)(C)OC(NC1CC(O)CC1)=O	100
+CC(C)(C)OC(=O)NC1CCC(C(Nc2cc(ccn2)-c3ccc(cc3OC)F)=O)C1	1153
+FC(F)(F)c1cc2c(cc1)CCN(C(C3(CC(CC3)N)C(C)C)=O)C2	12
+n1ccc(-c2ccc(cc2OC)F)cc1NC(=O)C3CC(N)CC3	12
+CC(C)(C)OC(NC1CCC(C)NCC1O)=O	62
+O=S(=O)(N1CC(C(CCC1C)N)O)c2ncccc2	12
+CC(C)(C)OC(=O)NC1COC(CCO)CC1	21
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2cc(Br)cc(C(OC)=O)c2C	231
+CC(C)(C)OC(=O)NC1CCC(CC1)C(N(OC)C)=O	164
+CC(C)(C)OC(=O)NC1CCC(CC1)COC	21
+CC(C)(C)OC(N(C1CCC(CC1)C(=O)N(OC)C)C)=O	397
+CC(C)(C)OC(NC1CCC(CC1)CNc2ccccc2)=O	291
+C1CC(CCN1C(CCC2CCC(CC2)N)=O)Cc3c(ccc(OC)c3)Br	12
+C1CC(CCC1N)CCCCCBr	12
+C1CN(CCC1C(=O)c2cc(Cl)ccc2Cl)CCC3CCC(CC3)N	12
+C1CC(CCC1CNC(OCc2ccccc2)=O)N	12
+CC(C)(C)OC(=O)NC1CCC(CC1)C=O	24
+CC(C)(C)OC(=O)NC1CCC(CC1)CO	88
+CC(C)(C)OC(NC1CCC(CC1)NC(=O)c2cc(c(cc2)F)F)=O	14
+CC(C)(C)OC(NC1CCC(CC1)NC(c2cnc(-c3cccc(F)c3)cc2)=O)=O	56
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cc(-c3ccc(cc3)O)cc(c2C)C(OC)=O)CCC	11
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2c(c(C(=O)NCc3c(cc(C)nc3OC)CCC=C)ccc2)CC=C)CC	14
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cccc(C(O)=O)c2CC=C)CC	1
+CC(C)(C)OC(N(C1CCC(CC1)N2CCCC2)C)=O	397
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2ncnc3sc4CCC(CC(CC)O)c4c23	3670
+C1CC(CCC1N)Nc2c3ncc(n3ccn2)-c4ccnc(NCc5ccccc5)n4	12
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2c3ncc(-c4nc(ncc4)S(=O)C)n3ccn2	172
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2c3n(c(cn3)-c4nc(NCc5ccccc5)ncc4)ccn2	306
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cc(cc(c2C)C(=O)OC)Br)CCC	713
+C1CC(CCC1Nc2ncc3c([nH]nc3-c4nc(NCc5ccc(cc5)Cl)ncc4)n2)N	12
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2ncc3c(n2)n[nH]c3-c4nc(ncc4)S(C)=O	172
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2nc3[nH]nc(-c4nc(ncc4)NCc5ccc(cc5)Cl)c3cn2	306
+C1CC(CCC1N)Nc2ncnc3c2c4C(CCc4s3)CC(O)CC	12
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2c3c(sc4c3C(CC=O)CC4)ncn2	24
+CC(C)(C)OC(=O)NC1CCC(CC1)OC(=O)n2cncc2	7326
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC#N	143
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC(=O)N	83
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC(=O)O	3
+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(c2)Nc3nc4c(cn3)ncn4-c5ccc(cc5)OCC	4127
+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(Nc3nc(Nc4ccc(cc4)OCC)c(cn3)N)c2	193
+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(Nc3nc(c([N+](=O)[O-])cn3)Nc4ccc(cc4)OCC)c2	486
+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(c2)N	209
+CC(C)(C)OC(NC1CC(CCC)C(CC1)N2CCC(N)C2=O)=O	334
+c1ccccc1COC(=O)NC2C(N(CC2)C3CCC(CC3CCC)N)=O	12
+c1c2c(ccc1OC)c(cc(n2)NC3CCC(N)C3)C	12
+FC(F)n1ncc2NC(=O)C(CCCC(c3cc(ncc3)-c12)N)C	12
+CC(C)(C)OC(NC1CCCC1(O)C)=O	2799
+CC(C)(C)OC(=O)NC1CCCC1C=C	2800
+c1cc(ccc1CN2CC3(CCC2)CCCCC3N)F	12
+C1C(CN1CC2CCCCC2N)Oc3ccc(cc3)Cl	12
+c1cc(ccc1C)S(=O)(=O)n2cc(c3cc(Cl)cnc23)-c4ncc(c(n4)NCC5CCCCC5N)F	12
+CC(C)(C)OC(NC1C(CCCC1)C=O)=O	24
+CC(C)(C)OC(NC1C(CCCC1)COS(=O)(=O)C)=O	7
+C1c2cc(NC3CCCCC3N)nc(-c4cn(C)nc4)c2C(N1)=O	12
+CC(C)(C)OC(=O)NC1C(CCCC1)Nc2c(Cl)c3CNC(=O)c3c(-c4cnn(C)c4)n2	395
+c1ccc(nc1Nc2c(nnc(NC3CCCCC3N)c2)C(N)=O)OCC	12
+CC(C)(O)c1nc(Nc2c(nnc(c2)NC3CCCCC3N)C(=O)N)ccc1	12
+CC(C)(C)OC(NC1CCCN(c2n(c3C(=O)N(C)C(N(C)c3c2C(O)C)=O)Cc4ccccc4Cl)C1)=O	2129
+CCCC(=O)Nc1c2c([nH]c1)ncc(Cl)c2N3CC(CCC3)N	12
+CC(C)(C)OC(=O)NC1CN(c2c(cnc3CCCc23)NC(c4nc(sc4)-c5c(cccc5F)F)=O)CCC1	7327
+CC(C)(C)OC(=O)NC1CCCN(c2ccc(Nc3c(cnc4ccc(nc34)-c5cc(c(c(F)c5)O)Cl)C(C)=O)cn2)C1	1592
+c1cc(ccc1C(N2CCOCC2)=O)Nc3nc(N4CCCC(N)C4)ccc3C(=O)N	12
+c1cc(ccc1Nc2nc(N3CCCC(N)C3)ccc2C(=O)N)N(CC)CC	12
+CC(C)(C)OC(NC1C(C)N(C(=O)CNc2c3c(ncn2)cc(Cl)c(Cl)c3)CC1)=O	2801
+CC(C)(C)OC(=O)NC1CCN(C(=O)CN)C1C	334
+c1ccccc1-c2ccccc2NC(OC3CCN(CC3)CC(=O)N4CCC(N)C4)=O	12
+c1cccc(-c2nc(c3c(n2)cc(C)cc3)N4CC(N)CC4)c1O	12
+CC(C)OC(c1c(nccc1)N2CCC(N)C2)=O	12
+CC(C)(C)OC(N(C1CN(CC1)c2c(cccn2)C(OC(C)C)=O)CC)=O	2802
+CC(C)(C)OC(=O)N(C)C1CN(c2ncccc2C(OC(C)C)=O)CC1	397
+C1CC(CCN1C(=O)OCc2ccccc2)N3C(C(N)CC3)=O	84
+c1cc(ccc1)CC(F)(F)C(=O)N2CCC(CC2)N	12
+Clc1cc(cc(Cl)c1)COC(N2CCC(CC2)N)=O	12
+CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC(c3cc(c(C#N)cc3)F)=CC(=O)N2CC	7328
+C1CN(CCC1N)C2=NC(c3cc(c(C#N)cc3)F)=CC(=O)N2CC	12
+C1CC(CCO1)N2CCC(CC2)N	12
+C1CN(CCC1N)CC2(O)c3c(Cl)cnc4C=CC(=O)N(c34)C2	12
+C1CC(CCN1CCN2C(=O)C=Nc3ccc(cc23)OC)N	12
+C1CC(CCN1CCN2c3cc(OC)cnc3C=CC2=O)N	12
+C1CC(CCN1CCO)N	12
+CC(C)(C)OC(=O)NC1CCN(CC1)CCOc2nc3c(ccc(OC)c3)nc2	1534
+C1CN(CCC1N)CCOc2nc3c(ccc(OC)c3)nc2	12
+C1CC(CCN1CCSc2cnc3c(cc(cc3)OC)c2)N	12
+C1CN(CCC1N)CCSc2nc3cc(ccc3nc2)OC	12
+C1CC(CCN1Cc2cc(c(Cl)cc2)OCC)N	12
+C1CC(CCN1Cc2ccc(OC)c(OCC)c2)N	12
+C1CC(CCN1Cc2ccc3c(OCCO3)c2)N	12
+C1CN(CCC1)C(c2ccc(cc2)S(=O)(=O)N3CCC(CC3)N)=O	12
+O=S(=O)(N1CCC(CC1)N)c2ccc(cc2)N(C)C(C3CCOCC3)=O	12
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)N	0
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)N2CCC(CC2)N	12
+c1cc(ccc1Br)N2CCC(CC2)N	12
+C1CN(CCC1N)c2cc(c(F)cn2)-c3nc4ccccc4n3C	12
+C1CN(CCC1N)c2ccc(C#N)cn2	12
+C1CN(CCC1N)c2c3ccccc3c(nn2)-c4ccnn4C	12
+CC(C)(C)OC(=O)NC1CCN(CC1)c2nnc(-c3ccnn3C)c4ccccc24	7329
+CC(C)(C)OC(=O)NC1CCN(C1)c2ccc(C(O)=O)c(NC3CC3)c2F	6
+CC(C)(C)OC(=O)NC1CCN(CC1)C(OCc2cc(Cl)cc(Cl)c2)=O	7330
+CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC(Cl)=CC(=O)N2CC	2803
+CC(C)(C)OC(=O)NC1CCN(CC1)CC2CN3C=4N2C(=O)C=CC=4N=CC3=O	123
+CC(C)(C)OC(NC1CCN(CC1)c2c3cc(F)ccc3nc(-c4c(cccc4)O)n2)=O	54
+CC(C)(C)OC(=O)NC1CCN(CC1)Cc2cc(c(Cl)cc2)OCC	48
+CC(C)(C)OC(=O)NC1CCN(CC1)Cc2ccc(OC)c(OCC)c2	48
+CC(C)(C)OC(=O)NC1CCN(CC1)Cc2ccc3c(OCCO3)c2	48
+CC(C)(C)OC(=O)NC1CCN(CC1)CCN2c3cc(OC)cnc3C=CC2=O	61
+CC(C)(C)OC(=O)NC1CCN(CC1)c2ccc(cc2)Br	560
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(O)=O	92
+CC(C)(C)OC(=O)NC1CCN(CC1)CC2(O)c3c(Cl)cnc4C=CC(=O)N(c34)C2	236
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)[N+]([O-])=O	92
+CC(C)(C)OC(=O)NC1CCN(CC1)c2ncc(cc2)C#N	43
+CC(C)(C)OC(=O)NC1CCN(CC1)c2ncc(c(c2)-c3nc4ccccc4n3C)F	323
+CC(C)(C)OC(=O)NC1CCN(CC1)CCc2c3c(ncc2)ccc(C#N)c3	7331
+CC(C)(C)OC(NC1CCCN(CC1)CCN(C)C)=O	236
+CC(C)(C)OC(NC1CCOCC1COc2c(F)cc(cc2)-c3ncc(cc3)Cl)=O	20
+CC(C)(C)OC(=O)NC1CCOCC1COc2ccc(cc2)-c3ccc(C#N)cn3	20
+O=S1(=O)CCC(N)C(Nc2cc(c(nc2)C#N)Nc3cc(OC)cc(C)n3)C1	12
+CC(C)(C)OC(=O)NC1CCSC2N(C(CCC2)C(NCCC)=O)C1=O	9
+CC(C)(C)OC(NC1c2cccc(C(NO)=N)c2CC1)=O	181
+CC(C)CC(N1CCC(N)C1)C(Nc2cc(c(cc2)-c3ocnc3)OC)=O	12
+CC(C)(C)OC(=O)NC1CCN(C(CN2CCC(CC2)OC(=O)Nc3ccccc3-c4ccccc4)=O)C1	589
+CC(C)(C)OC(=O)NC1CN(CC(C1)C)c2ccncc2N	13
+CC(C)(C)OC(=O)NC1CN(c2ccncc2NC(c3nc4c(csc4cc3)Br)=O)CC(C)C1	510
+CC(C)(C)OC(=O)NC1CN(c2c(NC(=O)c3ccc4cc(oc4n3)C5CC5C)cncc2)CC(C)C1	510
+CC(C)(C)OC(=O)NC1CN(CC1)C(CN(c2ccc(cc2)Oc3ccccc3)C(=O)C=Cc4ccccc4)=O	472
+c1ccccc1C=CC(=O)N(CC(=O)N2CCC(N)C2)c3ccc(cc3)Oc4ccccc4	12
+c1cc(ccc1)COC(N2CC(N)CC2)=O	12
+O=S(=O)(c1c(C)c(Cl)ccc1)N2CC(N)CCC2	12
+CC(C)(C)OC(=O)NC1CCCN(C1)c2n(c3C(N(C(N(C)c3c2C=O)=O)C)=O)Cc4ccccc4Cl	287
+CC(C)(C)OC(NC1CN(CCC1N)C(C)=O)=O	45
+c1c(F)c(c(cc1)F)-c2nc(C(=O)Nc3cnc4CCCc4c3N5CC(N)CCC5)cs2	12
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(ncc2N)CCC3)C1	13
+C1C(CC1)n2c3nc(C(=O)Nc4c(ccnc4)N5CC(CC(C5)C)N)ccc3cc2	12
+CC(C)(C)OC(=O)NC1CN(c2c3c(OCC3)ncc2N)CC(C1(C)O)C	13
+C1C(N)CN(c2cc(ccc2)OCC(OC)=O)CC1	12
+CC(C)(C)OC(=O)NC1CCCN(c2cc(O)ccc2)C1	16
+C1C(N)CN(c2nc3c(ncnc3cc2)N)CC1	12
+CC(C)(C)OC(NC1C(CC)N(c2nc(C)c(s2)C(=O)OCC)C1)=O	641
+CC(C)(C)OC(=O)NC1C2(CC2)CN(c3c(c(c(C(OCC)=O)cc3F)F)OC)C1	34
+CC(C)(C)OC(=O)NC1C(=O)OC(C)C(C(CCI)C(=O)OC1)OC(C(C)C)=O	572
+CC(C)(C)OC(=O)NC1C(=O)OC(C)C(C(CCO)C(=O)OC1)OC(C(C)C)=O	21
+CC(C)(C)OC(=O)NC1CCC(CC(=O)O)OC1	4
+CC(C)(C)OC(=O)NC1COC(CC1)CC=O	24
+CC(C)(C)OC(NC1C(O)C(Cc2cc(F)c(c(F)c2)[N+]([O-])=O)CSC1)=O	100
+CC(C)(C)OC(NC1Cc2ccc(cc2C1)Oc3ncc(C(=O)N)cc3)=O	136
+CC(C)(C)OC(=O)NC1Cc2cc(ccc2C1)C#N	160
+C1CC1C2C(C)C(N)c3cc(Br)ccc3N2C(C)=O	12
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3cccc4c3CCC4N)cc1	12
+CC(C)(C)OC(=O)NC1c2ccccc2C(CC1)OCc3ccnc(c3)N	149
+C(Nc1nccc(c1)COC2CCC(N)c3ccccc23)(COC)=O	12
+CC(C)(C)OC(=O)NC=1COCC(c2cc(cc(c2F)F)N)(N=1)C(F)F	0
+CC(C)(C)OC(=O)NC1=NC(c2c(c(F)cc(c2)NC(=O)c3ncc(C#N)cc3C)F)(COC1)C(F)F	187
+CC(C)(C)OC(NCC#CC=1c2nc(Nc3ccc(cc3)N4CCOCC4)ncc2C(N(c5c(cccc5Cl)Cl)C=1)=O)=O	1334
+CC(C)(C)OC(NCCCc1c(nc(nc1NCCCCC)N)C)=O	2065
+C1(c2c(cccc2)CN(C1)C(=O)CN)OC	84
+C1CN(CCN1C(CN)=O)C(CN2C(c3c(cccc3)S2)=O)=O	84
+CC(C)(C)OC(NCC(=O)NC(C(=O)NC)Cc1ccccc1)=O	9
+CC(C)(C)OC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O	4
+CC(C)(C)OC(=O)NCC(Nc1cc(c(C=O)cc1)Cl)=O	39
+CC(C)(C)OC(=O)NCC(C=O)C	378
+c1cc(ccc1COC(c2c(C)cc(cc2)C)=O)C(C(Nc3cc(c(C(=O)N)cc3)F)=O)CN	12
+NCC(C(Oc1c2nc(-c3n4ccccc4nn3)ccc2ccc1)CC)CC	12
+CC(C)(C)OC(NCC(C)(C)CNS(=O)(=O)c1cccc2c1ccnc2)=O	71
+CC(C)(C)OC(=O)NCC(C)(C)COc1c2nc(ccc2ccc1)-c3nnc4cc(C)ccn34	1920
+CC(C)(C)OC(NCC(C)(C)NS(=O)(=O)C)=O	2804
+CC(C)(C)OC(=O)NCC(C)(C)NC(=O)c1ccc2c(nccc2-c3c(-c4cccc(n4)C)nn5CCCc35)c1	14
+c1cc(ccn1)-c2c(nc(C(C)(C)CN)[nH]2)-c3ccc(Cl)c(OC)c3	12
+CC(C)(C)OC(=O)NCC(C(N(C)OC)=O)C	164
+CC(C)(C)OC(NCC(C)NC(=O)c1ccccc1O)=O	14
+CC(C)(C)OC(NCC(C)OCCOC)=O	76
+CC(C)(C)OC(=O)NCC(C)c1c([nH]c2ccc(C(C)(C)C(=O)O)cc12)-c3cc(C)cc(C)c3	3
+c1cc(ccc1C(CN)C)C#Cc2ccc(cc2)OCCC	12
+CC(C)(C)OC(NCC(C1CC1)N(C(=O)c2c(sc(C)n2)-c3ccccc3)C)=O	837
+CC(C)(C)OC(NCC(N)C1CC1)=O	7332
+CC(C)(C)OC(NCC(CNC(C(=O)OC)C)C)=O	1315
+CC(C)(C)OC(NCC(CN1CCC(CC1)Oc2ccc(cc2)F)NC(OCc3ccccc3)=O)=O	183
+c1cc(ccc1F)OC2CCN(CC2)CC(CN)NC(C=Cc3c(ccc(c3)C#N)OC)=O	12
+CC(C)(C)OC(=O)NCC1COCc2nc3c(c4ccccc4nc3)n12	2130
+CC(C)(C)OC(=O)NCC(COCC)N	45
+CC(C)(C)OC(NCC(N1CCC(CC1)(C(NCc2ncccc2C)=O)COC(Nc3ccc(cc3)CC)=O)=O)=O	589
+CC(C)(C)OC(=O)NCC(N1CCC(CC1)(C(=O)NCc2c(cccn2)C)CO)=O	9
+CC(C)(C)OC(=O)NCC(N1CCC(CC1)(C(=O)O)CO)=O	4
+FC(F)(F)c1ccccc1C(N2CCN(CC2)C(=O)CN)=O	84
+n1cc(cnc1N)-c2nc3c(sc(c3C)CN4CCN(CC4)C(CN)=O)c(n2)N5CCOCC5	84
+CC(C)(C)OC(=O)NCC(CI)NC(=O)OCc1ccccc1	343
+c1cc(ccc1C=2c3c(-n4c(C(CC(NCCNC(=O)CN)=O)N=2)nnc4C)ccc(c3)OC)Cl	84
+CC(C)(C)OC(=O)NCC(N1C(=O)c2ccccc2C1=O)Cc3ccccc3	1579
+CC(C)(C)OC(=O)NCC(c1ncc(C(=O)O)cc1)O	1
+c1cc(ccc1COC(CN)=O)Nc2cc(-c3c(ccc(Cl)c3)OCC)nc(N)n2	689
+CC(C)(C)OC(NCC(SC(C)=O)C)=O	2128
+CC(C)(C)OC(NCC(N=[N+]=[N-])C)=O	298
+CC(C)(C)OC(=O)NCC(c1c(C)cccc1C)COCc2c(F)cccc2F	149
+CC(C)(C)OC(=O)NCC(O)c1ccc(C(=O)OC)cn1	1394
+CC(C)(C)OC(=O)NCC(C(Nc1cc(c(C(=O)N)cc1)F)=O)c2ccc(cc2)COC(c3c(C)cc(cc3)C)=O	7333
+c1cc(ccc1Cl)C(CN)CC(=O)Nc2ccccc2	12
+CC(C)(C)OC(NCC(c1ccccc1)N)=O	45
+CC(C)(C)OC(=O)NCC(c1ccccc1)N2C(c3ccccc3C2=O)=O	2131
+CC(C)(C)OC(=O)NCC(c1ncc(C(=O)NCc2ccccc2)cc1)O	56
+C1CC1(c2nnc(o2)C3CCC4N(C(=O)N3C4)OCc5ccccc5)CN	12
+C1CN(CCO1)C2(CN(C2)S(=O)(=O)CCC)CN	12
+CC(C)(C)OC(NCC1(CCNC1)O)=O	25
+CC(C)(C)OC(=O)NCC1(CN(C1)S(=O)(=O)CCC)N2CCOCC2	112
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(c2c(C=1OCCCC)cc(cc2)O)=O	16
+CC(C)(C)OC(NCC1CCC(CC1)c2ccc(cc2)N)=O	890
+CC(C)(C)OC(NCC1CCNC1)=O	25
+CC(C)(C)OC(NCC1C(=NOC)CNC1)=O	62
+CC(C)(C)OC(=O)NCC1n2c3c(nc2COC1)c[n+](c4c3cccc4)[O-]	359
+C(C1COCc2nc3c(N)nc4c(c3n12)cccc4)N	12
+CC(C)(C)OC(NCC(CNc1cc2c(N(CCF)C(C2)=O)c(c1)F)O)=O	843
+CC(C)(C)OC(NCC(O)CNc1cc2CCOC(N(C)c2cc1)=O)=O	843
+CC(C)(C)OC(N(CCCC(C)C)CC1CCCc2c(Oc3ncc(cc3)C#N)cccc12)=O	7334
+CC(C)(C)OC(=O)NCC1n2c3c4c([n+]([O-])c(c3nc2COC1)N)cccc4	574
+CC(C)(C)OC(=O)NCC1COCc2nc3c(nc4c(c3n12)cccc4)N	445
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(=O)c2c(C=1OCCCC)cc(cc2)-c3sc(c(C)n3)C#N	1812
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(=O)c2c(C=1OCCCC)cc(cc2)-c3sc(c(C)n3)C(N)=O	1169
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(=O)c2c(cc(-c3nc(c(C(=O)O)s3)C)cc2)C=1OCCCC	6
+CC(C)(C)OC(=O)NCC1=C(c2c(ccc(OCC(=O)N)c2)C(=O)N1CC(C)C)OCCCC	2805
+C(C=Cc1cc2c(ncnc2cc1)Nc3cc(c(cc3)Oc4cnc(C)cc4)Cl)N	4120
+CC(C)(C)OC(NCCC#Cc1ccc(c(NCC)n1)C(NC)=O)=O	2348
+C1CC(CCC1)c2c3-c4ccccc4OCC(Cn3c5cc(C(OC)=O)ccc25)N(C)C(CCN)=O	12
+CC(C)(C)OC(NCCC(=O)Nc1ccc(cc1)C#CCCNC(=O)OCc2ccccc2)=O	121
+C(CC)N(CCC)C(COC(CCN)=O)=O	12
+CC(C)(C)OC(NCCC(NC(OC(C)(C)C)=O)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)NCCC(c1ccccc1)Nc2nccc(-c3n4ccnc(N5CCN(CC5)C)c4nc3)n2	435
+CC(C)(C)OC(NCCC(N)c1cc(ccc1)Cl)=O	45
+CC(C)(C)OC(=O)NCCc1nnc(C(C)C)o1	1037
+CC(C)(C)OC(=O)NCCc1oc(C)nn1	1037
+O=S(=O)(C)NC(=O)CCN	12
+CC(C)(C)OC(NCCC(Nc1ccc(cc1)CCCCNC(=N)NC(=O)c2c(nc(N)c(n2)Cl)N)=O)=O	4128
+CC(C)(C)OC(=O)NCCC(NNC(=O)C(C)C)=O	1038
+CC(C)(C)OC(NCCC(=O)N(CC(C)C)Cc1cc2OCCCOc2c(Cl)c1)=O	10
+CC(C)(C)OC(=O)NCCC(NNC(=O)C)=O	1038
+CC(C)(C)OC(=O)NCCC(NS(=O)(=O)C)=O	344
+CC(C)(C)OC(NCCC(Nc1ccc2c(n(S(=O)(=O)c3c4c(cccc4)ccc3)nc2)c1)=O)=O	33
+CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(cc1)I	33
+C1CCOC1COc2cccc(C(CCN)O)c2	12
+CC(C)(C)OC(NCCC(=O)c1cc(O)ccc1)=O	155
+CC(C)(C)OC(=O)NCCC(O)c1cc(OCC2OCCC2)ccc1	450
+CC(C)(C)OC(NCCC(O)c1cc(OCc2cccc(n2)C)ccc1)=O	885
+CC(C)(C)OC(=O)NCCC(c1cc(ccc1)OCc2ccncc2)O	22
+CC(C)(C)OC(NCCC(c1ccccc1)N2C(=O)c3c(C2=O)cccc3)=O	2131
+CC(C)(C)OC(=O)NCCC(O)c1cccc(O)c1	16
+CC(C)(C)OC(=O)N(CCC(c1ccc(cc1)N(C)c2ccc(cc2)OCc3ccccc3)C)C	397
+c1ccccc1C(CCN)Nc2nc(-c3n4ccnc(N5CCN(CC5)C)c4nc3)ccn2	12
+c1ccccc1C(CCN)Nc2nccc(n2)-c3n[nH]c4nc(NCCN5CCOCC5)ncc34	12
+CC(C)(C)OC(NCCC1(CCCC1)C(NC(Cc2ccc(cc2)[N+]([O-])=O)C(=O)OC)=S)=O	199
+c1cc(c(cc1CN2C(CCN)CC=CC2)Cl)Cl	12
+CC(C)(C)OC(N(C)CCC1CCN(CC1)C(OCc2cc(Cl)cc(Cl)c2)=O)=O	397
+C1CN(CCC1CCN)c2c3sc(C(N)=O)cc3nc(C)n2	12
+C1CC(CCN1c2ncnc3cc(C(N)=O)sc23)CCN	12
+CC(C)(C)OC(=O)NCCC1CCN(CC1)C(OCc2cc(Cl)cc(Cl)c2)=O	66
+CC(C)(C)OC(=O)NCCC1CCN(CC1)c2c3sc(C(N)=O)cc3nc(C)n2	2094
+CC(C)(C)OC(NCCC1CNCC1)=O	25
+CC(C)(C)OC(=O)NCCCN1c2c(cc3ccccc3c2)-c4nn(c(c4C1=O)C)C(OC(C)(C)C)=O	4129
+CC(C)(C)OC(=O)NCCCOc1c2CCCCc2c(C=O)cc1	8
+CC(C)(C)OC(=O)NCCCOc1cc(ccc1C(OC)=O)Br	8
+CC(C)(C)OC(=O)NCCCN1c2c(-c3nn(Cc4ccccc4)c(c3C1=O)C)cc5CCCCc5c2	4129
+CC(C)(C)OC(=O)NCCCN1C(CCC1)CN2N=C(Cc3ccc(cc3)Cl)c4ccccc4C2=O	28
+CC(C)(C)OC(=O)N(C)CCCC#C	397
+CC(C)(C)OC(NCCCC(C)(C)COS(=O)(=O)CCCNC(=O)C)=O	7
+C1N(CC1CCCCN)C(c2ccccc2)=O	12
+CC(C)(C)OC(=O)NCCCCC1CN(C1)C(c2ccccc2)=O	115
+CC(C)(C)OC(N(C)CCCCCC(OC)=O)=O	397
+CC(C)(C)OC(=O)NCCCCCC(C)O	684
+CC(C)(C)OC(=O)NCCCCCCN1C(=O)C=Cc2c1cccc2	7335
+CC(C)(C)OC(NCCCCCCNCCCn1c(nc2c(N)ncnc12)Sc3cc(Cl)cc(c3)Cl)=O	132
+c1cccc2N(C(C=Cc12)=O)CCCCCCN	12
+CC(C)(C)OC(=O)NCCCCCC=O	24
+CC(C)(C)OC(=O)NCCCCCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)NCCCCCn1cnc(-c2ccccc2)c1-c3ccccc3	1193
+c12cnc(-c3cnn(CCCCCN)c3)cc1c4cc(cnc4[nH]2)OC	12
+CC(C)(C)OC(NCCCCNCc1c(cccn1)-c2ccccc2)=O	294
+CC(C)(C)OC(NCCCCNc1c2c(cc(cc2)OCc3ccccc3)ncc1[N+]([O-])=O)=O	105
+CC(C)(C)OC(=O)NCCCCN1CCNCC1	62
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(=O)O	3
+CC(C)(C)OC(=O)NCCCCc1ccc(cc1)NCCCC(=O)OCC	601
+CC(C)(C)OC(=O)NCCCCc1ccc(cc1)NCCCC(N)=O	728
+c1cc(ccc1CCCCN)NCCCC(N)=O	12
+CC(C)(C)OC(NCCCCc1ccc(cc1)OCCNC(OCc2ccccc2)=O)=O	8
+CC(C)(C)OC(=O)NCCCCn1c(nc2c[n+](c3cc(OCc4ccccc4)ccc3c12)[O-])CCOC	359
+CC(C)(C)OC(=O)NCCCNC(C(C)C)C1=Nc2nc3c(cccc3)nc2C(=O)N1Cc4ccccc4	1682
+CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	71
+CC(C)(C)OC(=O)NCCCNC(Nc1cc([N+]([O-])=O)ccc1)=O	282
+CC(C)(C)OC(NCCCNc1c2ccccc2ncc1[N+]([O-])=O)=O	7336
+CC(C)(C)OC(=O)NCCCNC(=S)N	2806
+CC(C)(C)OC(=O)NCCCNC(=O)c1cnc(Nc2ccc(cc2)C#N)nc1NCCC	484
+CC(C)(C)OC(NCCCNC(CC)C=1N(C(c2c(N=1)onc2C)=O)Cc3ccccc3)=O	1682
+c1cc(ccc1Cl)CC=2c3ccccc3C(N(CC4CCCN4CCCN)N=2)=O	12
+c1cc(ccc1Cl)CC2CN(C2)CCCN	12
+C1CN(CCC12CCN(C2)c3ncnc4[nH]cc(c34)Cl)CCCN	12
+CC(C)(C)OC(NCCCN1CCC2(CC1)CCNC2)=O	62
+CC(C)(C)OC(=O)NCCCNC(=O)c1cnc(Nc2ccc(cc2)C(=O)N)nc1NCCC	216
+c1([N+]([O-])=O)cc(ccc1)NC(NCCCN)=O	12
+CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2c(Cl)c(ccc2)Cl)c1O	124
+CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(c([N+](=O)[O-])ccc1Cl)O	1683
+CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(Cl)ccc(N)c1O	0
+CC(C)(C)OC(NCCCn1c(CCCC)nc2cnc3c(c12)cccc3)=O	546
+CC(C)(C)OC(NCCCn1c(Nc2cc(OC)c(c(OC)c2)OC)nc3c1cc(cc3)C(OC)=O)=O	1023
+CC(C)(C)OC(=O)NCCCNc1cc(ccc1N)C(=O)OC	0
+CC(C)(C)OC(=O)NCCCOCCOCCOCCCNC(c1ccc(cc1)C#CC#N)=O	93
+CC(C)(C)OC(=O)NCCCOc1c2c(CCCC2)c(C=CCCN=[N+]=[N-])cc1	2053
+c1c(cc(c(C(=O)OC)c1)OCCCN)Br	12
+C(C=CCC=CCCC(N(CCN)C)=O)C=CCC=CCC=CCC=CCC	12
+CC(C)(C)OC(=O)NCCN(C)CCNC(CCC(=CCc1c(OC)c(C)c2c(C(OC2)=O)c1O)C)=O	9
+CC(C)(C)OC(=O)NCCN(C(OC(C)(C)C)=O)C1CCC(CC1)(O)CC(=O)O	210
+C1c2c(ccc(Br)c2)CC1N3CCNCC3=O	7337
+c12cc(C3=CC4N(CCN)C(C3)CC4)ccc1cccc2	12
+CC(C)(C)OC(NCCn1nc(cc1C(OCC)=O)OCc2ccccc2)=O	7338
+CC(C)(C)OC(NCCNC(=O)CCN)=O	102
+CC(C)(C)OC(NCCNC(=O)Nc1ccc(cc1)NC(=O)ON2C(CCC2=O)=O)=O	7339
+C(=CCC=CCC=CCCC(=O)NCCN)CC=CCC=CCC=CCC	12
+C1CN(CCN1C(C)=O)c2cc(ncc2)Nc3sc(cn3)-c4cc(cnc4)C(NCCN)=O	12
+n1c(Nc2c(Cl)cccn2)sc(c1)-c3cncc(C(NCCN)=O)c3	12
+CC(C)(C)OC(=O)NCCN(C(=O)c1ccccc1)Cc2ccc(OCc3ccccc3F)c(c2)OC	115
+CC(C)(C)OC(=O)NCCNS(=O)(=O)c1c2c(cc(-c3ccccc3)c1)cncc2	11
+n1c2c(cccc2)c(cc1-c3ccccc3O)NCCN	12
+CC(C)(C)OC(NCCOc1c(I)c(c(Cl)cc1C(C)=O)C#N)=O	20
+CC(C)(C)OC(=O)NCCON1C(=O)c2ccccc2C1=O	1395
+CC(C)(C)OC(NCCOc1ccc2c(ccn2S(=O)(=O)c3ccccc3)c1)=O	20
+CC(C)(C)OC(NCCOc1cc(Br)cnc1)=O	981
+CC(C)(C)OC(=O)NCCOCCOc1cc2c(c3c(cn2)nc(s3)CCC)cc1	116
+CC(C)(C)OC(=O)NCCOCCNC(c1ccccc1O)=O	3425
+CC(C)(C)OC(=O)NCCOCCNC(c1cnccc1)=O	56
+CC(C)(C)OC(NCCOCCNc1c(cnc2ccccc12)[N+](=O)[O-])=O	105
+CC(C)(C)OC(=O)NCCOCCN	18
+CC(C)(C)OC(=O)NCCOCCOc1c(OC)cc([N+]([O-])=O)cc1	262
+CC(C)(C)OC(=O)NCCOCCN=[N+]=[N-]	133
+CC(C)(C)OC(=O)NCCOCCOc1ccc(cc1OC)N	0
+CC(C)(C)OC(=O)NCCOCCOc1cc(N)ccc1	0
+CC(C)(C)OC(=O)NCCOCCOc1cc2c(cc1)c3c(nc(CCC)s3)c([n+]2[O-])N	7340
+CC(C)(C)OC(=O)NCCOCCOc1cc2[n+]([O-])cc3nc(CCC)sc3c2cc1	359
+CC(C)(C)OC(=O)NCCOCCOc1ccc2c3c(c(nc2c1)N)nc(CCC)s3	445
+c1c2c(ccc1OCCOCCN)c3sc(nc3c(N)n2)CCC	12
+CC(C)(C)OC(=O)NCCONC(=O)C1CCC2CN1C(=O)N2OCc3ccccc3	293
+CC(C)(C)OC(=O)NCCON	670
+CC(C)(C)OC(=O)NCCONC(=O)C1N2C(=O)N(O)C(CC1)C2	2674
+c1c(C)c(c(cc1OCCN)C)Br	12
+CC(C)Oc1ncc(c(C(=O)OC)c1C)OCCN	12
+CC(C)(C)OC(=O)NCCSCCCn1ncc(-c2nc(C(=O)OC)ccc2)c1	1105
+Clc1c[n+]([O-])cc(CCN)c1	12
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2cccc(Oc3nc(ncc3)Cl)c2	185
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2cccc(c2)Oc3ccnc(C#N)n3	738
+c1cc(ccc1-c2cccc(c2)Oc3ccnc(C#N)n3)CCN	12
+CC(C)(C)OC(=O)NCCc1ccc(cc1)C#N	160
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2cc(O)ccc2	11
+c1cc(ccc1C#N)CCN	12
+CC(C)(C)OC(NCCc1ccc(cc1)CO)=O	49
+CC(C)(C)OC(=O)NCCc1ccc(cc1)NCc2ccccc2	208
+CC(C)(C)OC(=O)NCCc1ccc(cc1)Oc2ccc(cc2)Cl	472
+c1cc(ccc1Oc2ccc(cc2)Cl)CCN	12
+c1cc(ccc1F)Oc2ccc(cc2)CCN	12
+CC(C)(C)OC(NCCc1c(cc(cc1)C(C)C)OCCCC(=O)OCC)=O	8
+CC(C)(C)OC(NCCc1cc(C#N)ccc1)=O	160
+CC(C)(C)OC(=O)NCCc1cc(Cl)c[n+](c1)[O-]	103
+Clc1cnc(CCN)c(Cl)c1	12
+CC(C)c1oc(CCN)nn1	12
+n1c(oc(CCN)n1)C	12
+c1c(c(I)ccc1OC)Sc2n(c3ncnc(N)c3n2)CCN	12
+FC(F)(F)Oc1cccc(c1)Oc2ccc(Nc3c4c(ncn3)ccn4CCN)cc2C	12
+CC(C)(C)OC(=O)NCc1ccc(-c2cc(nc(Cl)c2)OC)cc1F	91
+CC(C)(C)OC(NCc1c(cc(F)cc1)OCCCCS(=O)(=O)NC)=O	116
+FC(F)(F)c1cc(ccc1Nc2cc(F)c(CN)nc2)OC	12
+CC(C)(C)OC(=O)NCc1c(O)cc(F)cc1	16
+CC(C)(C)OC(=O)NCc1c2c(OC)cc(cc2c(cn1)C(=O)N(CCN(C)C)Cc3ccccc3)OC	211
+CC(C)(C)OC(NCc1ncc(c2cc(OC)cc(c12)OC)C(N3Cc4ccccc4CC3)=O)=O	211
+CC(C)(C)OC(=O)NCc1ncc(C(=O)N(Cc2ccccc2)C)c3cc(OC)cc(OC)c13	211
+CC(C)(C)OC(=O)NCc1c2c(OC)cc(OC)cc2c(C(O)=O)cn1	6
+c1ccccc1CN(CCN(C)C)C(c2cnc(c3c(OC)cc(OC)cc23)CN)=O	12
+CC(C)(C)OC(NCc1ncc(CC(O)=O)c2cc(c(OC)cc12)OC)=O	3
+CC(C)(C)OC(NCc1c(C)nc(c(C#N)c1)N)=O	1684
+CC(C)(C)OC(=O)NCc1ccc(O)c(C(N)=O)c1	169
+CC(C)(C)OC(=O)NCc1cc(Nc2nc3c(n2C)cc(c(c3)C(O)=O)OCC(F)F)c(Cl)cc1	6
+CC(C)(C)OC(=O)NCc1cc(Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(cc3n2C)OCC(F)F)c(Cl)cc1	67
+FC(F)COc1c(C(=O)Nc2ccc(cc2)Br)cc3nc(Nc4c(ccc(CN)c4)Cl)n(C)c3c1	12
+c1(c(Nc2c(cccc2)C(=O)NC)nc(nc1)Nc3cccc(CN)c3)Cl	12
+CC(C)(C)OC(=O)NCc1ccc(cc1F)-c2cc(nc(OC)c2)-c3cnn(C)c3	1396
+CN(C)CC1CCCN1c2c(Cl)cc3nc(Nc4cc(ccc4Cl)CN)[nH]c3c2	12
+c1cc(ccc1NC(=O)c2cc(ccc2OC)NC(c3cc(CN)ccc3Cl)=O)Br	12
+CC(C)(C)OC(=O)NCc1ccc(CO)c(Cl)c1	88
+CC(C)(C)OC(NCc1ccc(cc1)-c2cccc(OCCCCOCc3ccccc3)c2)=O	20
+CC(C)(C)OC(=O)NCc1ccc(cc1)-c2cc(O)ccc2	16
+c1cc(ccc1CN)-c2csc(NC(C3CC3)=O)n2	12
+CC(C)(C)OC(=O)NCc1ccc(cc1)-n2c3ccccc3c(Cl)c2C#N	1194
+CC(C)(C)OC(=O)NCc1ccc(cc1)-c2cccc(OCc3ccccc3)c2	11
+CC(C)(C)OC(=O)NCc1ccc(cc1)CO	98
+C1CCCCC1(c2ccc(cc2)CN)O	12
+CC(C)(C)OC(NCc1ccc(cc1)CNCCCCNC(=O)OCc2ccccc2)=O	42
+CC(C)NC(=O)Cc1ccc(cc1)CN	12
+CC(C)(C)OC(=O)NCc1ccc(cc1)CC(=O)NC(C)C	9
+CC(C)(C)OC(NCc1ccc(cc1)CNCc2ccc(cc2)F)=O	42
+CC(C)(C)OC(=O)NCc1ccc(cc1)C=O	39
+CC(C)(C)OC(=O)NCc1ccc(cc1)NC(=O)CCc2cccc3c2B(O)OC3	33
+c1cc(ccc1CN)N2C(=O)OC(C(=O)O)C2	12
+CC(C)(C)OC(=O)NCc1ccc(cc1)N2C(OC(C2)C(N3CCN(CC3)CCC(=O)OCc4ccccc4)=O)=O	10
+CC(C)(C)OC(=O)NCc1ccc(cc1)N2C(OC(C2)C(N3CCN(CC3)CCC(=O)O)=O)=O	210
+c1cc(ccc1CN)NC(=O)CCc2cccc3c2B(O)OC3	12
+c1(-c2cc(F)c(cc2)CN)cc(OC)nc(-c3cnn(C)c3)c1	12
+CC(C)(C)OC(=O)NCc1cccc([N+]([O-])=O)c1C(O)=O	1
+CC(C)(C)OC(=O)NCc1cccc(N)c1C(=O)O	0
+C1CCCCC1Cc2ccc(CN)cn2	12
+C1CCCCN1Cc2ccc(cn2)CN	12
+CC(C)(C)OC(=O)NCc1cnc(cc1)CCl	515
+CC(C)(C)OC(NCc1sc(c(C(F)(F)F)n1)C(N)=O)=O	4130
+Clc1cccc(CCNC(=O)c2nc(CN)sc2)c1	12
+CC(C)(C)OC(=O)NCc1nc2C(=O)N(C(=O)N(C)c2[nH]1)CCCCC(C)OS(=O)(=O)C	710
+CC(C)(C)OC(=O)NCc1sc(COC(C)=O)cn1	27
+C1CCCCC(C1)Oc2ccc(CN)nc2	12
+CC(C)(C)OC(=O)N(Cc1nnc(C)s1)c2nc(C)nc(c2)OCC3C(c4ncc(C(C)(C)O)cc4)C3	7341
+c1(sc(CNC=O)nc1)COC(=O)C	7342
+CC1(C)C2(C3=C(C(=O)N(N3)c4c(Cl)cc(cc4)F)C1CC2)C	7343
+CC1(C)C2C(C(C1(C)CC2)=O)C(N(c3ccc(cc3Cl)F)N)=O	2132
+CC(C)(C)OC(NN(C1CCCC1)c2nc(ncc2Br)C#N)=O	738
+O=S(=O)(c1ccc2c(c1)ccc(c2)Cl)N3CC(=O)N(N)CC3	2132
+CC(C)(C)OC(=O)NN1C(CN(S(=O)(=O)c2cc3c(cc(Cl)cc3)cc2)CC1)=O	3469
+NNC(c1ccc([N+]([O-])=O)cc1OCC)=O	1685
+Cc1ccc(cc1-c2cc3nnc(-c4c(cccc4)Cl)n3cc2)C(=O)NN	1685
+c1cc(ccc1-c2ncc(C#N)cc2)C3(CC3)C(NN)=O	2132
+CC(C)(C)OC(=O)NNC(=O)OCCc1ccc(cc1)N	0
+c1cc(ccc1-c2c(ccc(c2)C(=O)NC3CC3)C)C(NN)=O	1685
+c1ccccc1COC(=O)N2C3CC(C(C3)C2)NN	2133
+C1CC1C(NCc2ccc(c(N3NC(=NC3=O)c4c(cc(cc4)Cl)F)c2)Cl)=O	2807
+FC(F)(F)C(=O)NCc1cc(C2=NC(=O)N(N2)c3cc(Cl)c(F)cc3)c(cc1F)Cl	2807
+FC(F)(F)C(NCc1cc(c(Cl)cc1)C=2NC(=O)N(c3cc(Cl)c(cc3)F)N=2)=O	7344
+CC(C)C(=O)NCc1cc(N2NC(=NC2=O)c3ccc(c(F)c3)I)c(cc1)Cl	2807
+c1c(NN)ccc(C)c1Cl	2133
+C1CC1CNC(=O)c2cc(NN)ccc2	2133
+CC(C)(C)OC(NOC(Cc1ccccc1)C(=O)O)=O	210
+CC(C)(C)OC(=O)NOCC(NNC(=O)c1cc(cc(OCc2ccccc2)c1OCc3ccccc3)S(=O)(=O)O)=O	708
+CC(C)(C)OC(NOCCCCN)=O	45
+c12c(cc(OCC(NCCCCON)=O)cc1)OC(C=C2C)=O	7345
+CC(C)(C)OC(Nc1nc2cc(c(c(C)c2[nH]1)N)C)=O	0
+Cc1c(cccc1)-c2c(sc(C)n2)N	2808
+CC(C)(C)OC(=O)N(c1c(Br)c2cc(S(=O)(=O)C)ccc2cc1)CC=CCl	4131
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)CC(C(=O)OC)NC(C)=O)cn(C)n1)=O	1122
+C1C(CC1)C#Cc2cc(Cl)ncc2N	473
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4ccc(cc34)C5(CCC5)C(OCC)=O)N	7346
+Nc1c(ccnc1)C(=O)O	473
+CC(C)(C)OC(=O)Nc1sc(-c2c(cc(F)cc2)F)cc1C(OC)=O	268
+CC(C)(C)OC(Nc1sc(cc1C(=O)OC)-c2ccc(cc2)F)=O	268
+CC(C)(C)OC(=O)Nc1ccc(nc1COC(=O)C)Cl	174
+CC(C)(C)OC(=O)N1CCC2CN(CCC12)c3c(Cl)c(cc(C#N)c3)N	78
+Nc1c(nc(c(-c2ccncn2)c1)-c3occc3)Cl	473
+CN(C)c1ncc(cc1N)[N+](=O)[O-]	473
+CC(C)(C)OC(=O)Nc1c(NC(CC(=O)c2cccc(c2)-n3cncc3)=O)cc(C#Cc4ccc(cc4)F)cc1	1397
+CC(C)(C)OC(Nc1ccc(I)cc1NC(=O)CC(=O)c2cccc(C#N)c2)=O	3504
+N1c2cc(ccc2N=C(c3cc(ccc3)C#N)CC1=O)-c4occc4	690
+c1cc(ccc1F)C#Cc2cc(c(N)cc2)NC(CC(c3cccc(c3)-n4cncc4)=O)=O	78
+c1ccccc1C#Cc2ccc3N=C(CC(=O)Nc3c2)c4cccc(-n5c(nc(C)c5)C)c4	690
+C1(CCC(Nc2nc(Nc3cc(F)ccc3N)ncc2[N+]([O-])=O)c4c1cccc4)=O	78
+CC(C)(C)OC(=O)Nc1c(N)cc(c(N(C)CCOC)c1)Cl	0
+c1(c(Cl)nccc1N)F	78
+Clc1c(c(F)ccc1N)Cl	78
+Nc1cc(C)cc(c1F)Br	78
+CC(C)(C)OC(=O)Nc1cccc(OC)c1N	0
+Nc1cccc(c1[N+]([O-])=O)OC	78
+c1c(cccc1C(=O)CC(=O)Nc2c(N)ccc(c2)-c3c(ccc(F)c3)F)C#N	78
+c1ccccc1NC(C(c2ccc(cc2)C(=O)Nc3cc(-c4ccsc4)ccc3N)CNC(C)=O)=O	78
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(CNC(NC)=O)C(O)=O	4
+CC(C)(C)OC(=O)Nc1ccc(cc1NC(=O)CC(=O)c2cccc(C#N)c2)C#Cc3ccccc3F	1397
+CC(C)(C)OC(=O)Nc1c(NC(CC(c2cc(-n3c(nc(C)c3)C)ccc2)=O)=O)cc(C#Cc4ccccc4)cc1	496
+CC(C)(C)OC(=O)Nc1c(cc(C#Cc2ccccc2)cc1)NC(=O)CC(=O)c3cccc(C#N)c3	1397
+c1ccccc1C#Cc2ccc3c(c2)NC(CC(c4cccc(c4)C#N)=N3)=O	690
+CC(C)(C)OC(=O)Nc1c(I)nc(CO)cc1C	194
+O(C)c1ncc(N)c(I)c1	473
+CC(C)(C)OC(=O)Nc1cc(c(C#N)cc1N)N(CC)CC	0
+CC(C)(C)OC(=O)Nc1c(cc(Cl)c(N(C)C)c1)N	0
+CC(C)(C)OC(=O)Nc1c(cc(-c2cc(ccc2F)F)cc1)NC(CC(=O)c3cccc(C#N)c3)=O	1397
+CC(C)(C)OC(=O)Nc1c(cc(-c2ccc(cc2)OC)cc1)NC(=O)CC(=O)c3cccc(C#N)c3	1397
+C(Oc1cc(OC)ccc1N)CCBr	78
+c1c(CC)c(c(cc1-c2ccc(cc2)Cl)CC)N	78
+CC(C)(C)OC(Nc1cc(N)c(cc1F)Cl)=O	196
+c1cc(ccc1C(c2ccccc2N)=O)Cl	78
+CC(C)(C)OC(=O)Nc1c(nc(cc1)Cl)C=O	178
+c1(c(N)c(OC)ncc1)C	473
+CC(C)(C)OC(Nc1conc1-c2ccc(cc2)O)=O	686
+O=S(=O)(NC(C1(CC1)c2ccc(cc2)-c3ccc(cc3)-c4onc(C)c4N)=O)C	2809
+CC(C)(C)OC(Nc1ccsc1C(=O)Nc2cccc(c2)OC)=O	2810
+c1(c(N)c2c(cc1)CCCO2)F	78
+CC(C)(C)OC(Nc1cccc2CCCN(C)c12)=O	891
+N#CCOc1c2ccccc2c(N)cc1	78
+CC(C)(C)OC(Nc1nccc(c1)C#Cc2cc(N)ccc2)=O	3234
+Nc1c(c(cc(C#N)c1)C(C)CCO)Cl	78
+CC(C)(C)OC(=O)Nc1cc(C)c(CNC(=O)c2cn(Cc3cc4c(cc3)nc(cc4)C)nn2)c(C)n1	7347
+Cc1c(c(C)cc(n1)N)CNC(c2nnn(Cc3ccc4c(ccc(n4)C)c3)c2)=O	451
+c1(c(c(c(c(C)c1)O)C)C)NC	352
+CC(C)(C)OC(=O)Nc1cc(C)c(CNC(Cc2c(F)c(ccc2Cl)NCC(F)(F)c3ccccc3)=O)c(C)n1	9
+CC(C)(C)OC(Nc1cc(C)c(c(C)c1)Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)=O	452
+CC(C)(C)OC(Nc1cc(-c2c(N)cncc2)cc(C)c1)=O	13
+CC(C)(C)OC(=O)Nc1nccc(CCC(=S)N)c1	199
+CC(C)(C)OC(=O)Nc1cc(ccn1)CCC(O)=O	4
+CC(C)(C)OC(=O)Nc1ccc(c(CC#N)c1)Cl	1686
+c1cc(ccc1-n2c(C(C)(C)c3ccc(c(OC)c3)Cl)cnc2SCc4c(cc(N)cc4F)Cl)F	78
+CC(C)(C)OC(=O)Nc1c([N+]([O-])=O)cc2c(noc2c1)N	2134
+CC(C)(C)OC(=O)Nc1cnc(c(F)c1I)Cl	916
+Fc1c(c(c(cc1F)N)F)C(c2cc3c(ncc(n3)Cl)cc2)=O	78
+CC(C)(C)OC(=O)Nc1cc(F)c(cc1C(NCC(=O)NCC2CCN(CC2)Cc3ccc(c([N+](=O)[O-])c3)O)=O)F	48
+C1CN(CCC1CNC(CNC(=O)c2c(N)cc(c(c2)F)F)=O)Cc3cc(c(cc3)O)N	78
+CC(C)(C)OC(=O)Nc1cc(F)c(cc1C(NCC(=O)NCC2CCN(CC2)Cc3cc(c(cc3)O)N)=O)F	0
+CC(C)(C)OC(=O)Nc1cc(N(C)C)c(C)cc1N	0
+CC(C)(C)OC(=O)Nc1cc(N(C2CC2)c3ncc4nc(sc4n3)N)ccc1	2811
+CC(C)(C)OC(=O)Nc1cc(N(C2CC2)c3ncc4nc(sc4n3)NC(C)=O)ccc1	290
+C1CC1N(c2cc(ccc2)N)c3nc4sc(NC(C)=O)nc4cn3	78
+CC(C)(C)OC(Nc1cc(N2C(C=C(OC)C2=O)=O)cc(N3C(C=C(C3=O)C)=O)c1)=O	7348
+[N-]=[N+]=Nc1cc(Cl)cc(N)c1	78
+CC(C)Nc1cc2N=C(CC(Nc2cc1Cl)=O)c3cccc(-c4onc(C)c4)c3	690
+CC(C)(C)OC(=O)Nc1cc(Nc2c(cnc(n2)Nc3ccc(OCCOC)c(OCc4ccccc4)c3)F)ccc1	55
+c1(N)cccc(Nc2nc(Nc3cc(O)c(cc3)OCCOC)ncc2F)c1	78
+CC(C)(C)OC(Nc1ccc(C)c(c1)OCCN(C)C)=O	72
+C1CC1C(=O)Nc2nc3n(cc(Oc4cc(c(Cl)cc4)N)cc3)n2	78
+c1ncncc1Oc2cc(cc(c2)Cl)N	78
+CC(C)(C)OC(Nc1cc(N)c(cc1)C)=O	0
+CC(C)(C)OC(N(c1ccc(C)c(c1)[N+](=O)[O-])C)=O	2812
+CC(C)(C)OC(=O)Nc1c(N)cc(-n2cccc2)c(OCCOC)c1	0
+CN(C)c1c(cc2NC(=O)CC(c3cc(ccc3)-c4onc(C)c4)=Nc2c1)C	690
+CC(C)(C)OC(=O)Nc1cc(C)c(c(C)n1)CN	388
+C1CN(CCN1C)c2ccc(cc2Cl)N	78
+CC(C)(C)OC(=O)Cn1c(CCC)nc2cc(NC(=O)OC(C)(C)C)ccc12	4132
+CC(C)(C)OC(=O)Nc1c(Cl)c(cc(c1)C#N)N2CC3CCN(C(=O)OC(C)(C)C)C3CC2	79
+CC(C)(C)[Si](C)(C)OC1CN(CCC1N2CCOCC2)c3cc(cc(NC(OC(C)(C)C)=O)c3Cl)C#N	79
+CC(C)(C)[Si](C)(C)OCC1CN(CCN1C2COC2)c3c(c(cc(C#N)c3)NC(OC(C)(C)C)=O)Cl	79
+CC(C)(C)OC(=O)Nc1cc(cc(I)c1)N=[N+]=[N-]	615
+[N-]=[N+]=Nc1cc(N)cc(I)c1	78
+CC(C)(C)OC(=O)Nc1cc(N=[N+]=[N-])cc(Cl)c1	615
+CC(C)(C)OC(=O)Nc1cc(N)cc(c1)N2C(C(C)=CC2=O)=O	0
+CC(C)(C)OC(Nc1cc(C=O)cc(c1)C)=O	39
+C1CC2(CCN1c3c(c(cc(C#N)c3)N)Cl)C(=O)N(CC2)C	78
+C1CCN1C(=O)c2cccc(N)c2	78
+CC(C)(C)OC(=O)Nc1cccc(Nc2c(CO)cnc(SC)n2)c1	897
+CC(C)(C)OC(=O)Nc1cccc(Nc2c(C(=O)C)cnc(SC)n2)c1	4133
+CC(C)(C)OC(=O)Nc1cc(CCC(=O)N)ccn1	83
+CC(C)(C)OC(=O)Nc1cc(ccn1)CCc2cc(ccc2)Nc3nc(ncc3F)Cl	73
+Nc1cc(cnc1Cl)Nc2ncc(OC)cc2-c3nc(N)nc(C)n3	473
+OCc1cc(ncn1)N	451
+CC(C)(C)OC(=O)Nc1cc(no1)-c2cc(ccc2)-c3ccc(cc3)C(N4CCNCC4)=O	62
+Nc1ccc2CC3(c4ccccc4NC3=O)Cc2c1	78
+c1cc(ccc1C2=C(C(C)(C)Oc3c2ccc(N)c3)F)F	78
+CC(C)(C)OC(N(c1c(OC)cc2C34CCCCC3C(N(CC4)C(OCc5ccccc5)=O)Cc2c1)C)=O	2812
+O=S(=O)(N1c2c(CCC1)ncc(N)c2)c3cc(ccc3)C	473
+CC(C)(C)OC(=O)Nc1ccc2c(c1[N+](=O)[O-])ccc(c2)Br	77
+C1COCCN1c2nc(Cl)nc3cc(N)sc23	2813
+c1(cc(ccc1)OC)-c2nc3n(ccc(N)c3)n2	78
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1N)=O	0
+c1ncc(-c2cc(Cl)c(N)cc2)nc1C	78
+CN(C)C(Nc1c(N)ccc(-c2cccs2)c1)=O	78
+CC(C)(C)OC(=O)Nc1c(cc(C#Cc2ccccc2)cc1)N	0
+CC(C)(C)OC(Nc1ccc(C(c2ccc(cc2)Cl)(O)C)cc1C)=O	7349
+C1CN(Cc2c1c(n[nH]2)C(=O)N)c3ccc(N)cn3	473
+CC(C)(C)OC(Nc1c(cc(cc1)Oc2c(c(ncc2)NC)[N+]([O-])=O)F)=O	242
+CC(C)(C)OC(=O)Nc1ccc(OCc2ccccc2C(OC)=O)cc1NCc3ccc(cc3Cl)-c4ccccc4	608
+CC(C)(C)OC(=O)Nc1ccc(c(c1)Nc2cc(C)nn2-c3cc(NC)ncn3)C	781
+CC(C)(C)OC(Nc1cc(Nc2n(-c3ncnc(c3)NC)ncn2)c(cc1)C)=O	490
+CC(C)(C)OC(=O)Nc1ccc(c(CC(=O)O)c1)Cl	459
+CC(C)(C)OC(=O)Nc1ccc(c(c1)CC(OCC)=O)Cl	939
+CC(C)(C)OC(=O)Nc1cc(COS(=O)(=O)C)c(Cl)cc1	7
+CC(C)(C)OC(=O)Nc1ccc(c(Nc2nc(ncc2Cl)Nc3cc(C)ns3)c1)F	7350
+Nc1cc(c(F)cc1)Nc2nc(Nc3cc(C)ns3)ncc2Cl	78
+c1(C)ccc(N)cc1Nc2n(-c3cc(NC)ncn3)nc(C)c2	78
+CC(C)(C)OC(=O)Nc1c2ccccc2c(OCC#N)cc1	489
+c1ncncc1-c2c([nH]c3ncc(Cl)cc23)-c4ccc(cc4)N	78
+CC(C)(C)OC(Nc1ccc(cc1)-c2c(F)c3c(c([nH]n3)N)cc2)=O	575
+c1cc(ccc1-c2nn3nc(nc3cc2)N)N	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2c3c([nH]n2)ncnc3Nc4cc(Cl)ccc4	7351
+c1cc(ccc1)S(=O)(=O)Cc2nc(-c3ccc(cc3)N)nc(N4CCOCC4C)c2	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2scc(n2)C(Nc3ccc(cc3)-c4scc(C(OCC)=O)n4)=O	2015
+c1cc(ccc1-n2c(CCC=C)c(nn2)C(=O)NC3CC3)NC(NCC)=O	7352
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2ccc(c(F)c2F)C#N	368
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2ccc3n(nc(n3)N)n2	7353
+c1cc(ccc1N)C(N2CC3(CC2CC(C)(C)C3)C)=O	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)N2CC3(CC2CC(C)(C)C3)C	30
+c1ccccc1CN2C(CC(c3ccc(cc3)N)(C)C2=O)=O	78
+c1cc(ccc1CCc2c(Cc3ccc(cc3)S(=O)(=O)C)sc(NC(=O)OCC)n2)N	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)CCc2nc(sc2Cc3ccc(cc3)S(=O)(=O)C)N	1176
+CC(C)(C)OC(=O)Nc1ccc(cc1)CCc2c(Cc3ccc(cc3)S(=O)(=O)C)sc(NC(=O)OCC)n2	810
+CC(C)(C)OC(N(C)c1ccc(cc1)I)=O	2812
+CC(C)(C)OC(=O)Nc1ccc(cc1)Nc2ncnc(c2)Cl	73
+CC(C)(C)OC(=O)Nc1ccc(cc1)N2CC(CCCC)(CCCC)CS(=O)(=O)c3c2ccc(c3)OCC(=O)O	3
+CC(C)(C)OC(=O)Nc1cc(c(cc1)N2CCN(CC2)C)Cl	196
+CC(C)(C)OC(=O)Nc1ccc(cc1)N2CC(CCCC)(CCCC)CS(=O)(=O)c3cc(ccc23)OCC(OCC)=O	52
+c1cc(ccc1N)Nc2ncnc(-c3ccc(cc3)F)c2	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)Nc2ncnc(c2)-c3ccc(cc3)F	198
+CC(C)(C)OC(Nc1ccc(cc1)Oc2cc(-n3cncn3)ncn2)=O	185
+CC(C)(C)OC(=O)Nc1ccc(cc1)Sc2c(Nc3c4c(cc(cc4)C(C)C)ncn3)cc(C(=O)OC)cc2	73
+CC(C)(C)OC(=O)Nc1ccc(cc1)Sc2ccc(C(=O)O)cc2Nc3c4c(cc(cc4)C(C)C)ncn3	1
+CC(C)(C)OC(=O)Nc1ccc(cc1)Sc2c(N)cc(cc2)C(OC)=O	0
+CC(C)(C)OC(Nc1ccc(cc1Br)C(c2ccc(cc2)Cl)=O)=O	705
+c1c(c(C#Cc2cc3c(cc2)N=C(c4cccc(C#N)c4)CC(N3)=O)ccc1)F	690
+c1cc(ccn1)-c2nn3c(ccnc3c2-c4cc(OC)c(cc4)N)C5CC6CCC(C5)N6CC	78
+CC(C)(C)OC(Nc1c(N)cc(-c2c(Cl)cccc2)cc1)=O	0
+CC(C)(C)OC(=O)Nc1c(N)cc(C#Cc2ccc(cc2)F)cc1	0
+CC(C)(C)OC(=O)Nc1c(cc(C#Cc2c(cccc2)F)cc1)N	0
+CC(C)(C)OC(=O)Nc1ccc(OCc2c(cccc2)C(OC)=O)cc1N	0
+CC(C)(C)OC(=O)Nc1ccc(cn1)-c2ccc(cc2)C(=O)O	1
+CC(C)(C)OC(=O)Nc1c(cc(cn1)-c2ccccc2)C=O	1031
+C1CN(CCO1)Cc2cnc(N)cc2	451
+CC(C)c1ccc(N)cn1	473
+CC(C)(C)OC(=O)Nc1ccc(nc1)C(F)F	7354
+FC(F)c1ccc(N)cn1	473
+CC(C)(C)OC(Nc1ccc(CCO)nc1)=O	44
+CC(C)(C)OC(=O)Nc1c(nc(cc1)Cl)CO	59
+CC(C)(C)OC(N(C)c1ccc2c(n1)c(OC)ccc2Br)=O	4134
+c12ccc(N)cc1[nH]c3c(C(=O)N)cc(cc23)Br	78
+c1cc(ccc1)-c2c3cccnc3ccc2N	78
+CC(C)(C)OC(N(CC=CCl)c1c(Br)c2c(cc(cc2)C#N)cc1)=O	4131
+C1COCCN1c2nn3cc(ccc3n2)N	473
+CC(C)(C)OC(=O)Nc1cc(Nc2nc(Cl)ncc2F)ccc1	73
+CC(C)(C)OC(=O)Nc1cccc(c1)Nc2nc(SC)ncc2C=O	1195
+CC(C)(C(OCC)=O)Oc1cccc(N)c1	78
+c1cc(ccc1OC)CNC(=O)C2=C(N(C(C=C2Oc3cccc(c3C)N)=O)C)Nc4c(cc(I)cc4)F	78
+CC(C)(C)OC(=O)Nc1cc(ccc1)Nc2nc(ncc2C(O)C)SC	4135
+CC(C)(C)OC(Nc1nc(ccc1)C#Cc2cc(N)ccc2)=O	3621
+CC(C)(C)OC(Nc1c2cc(OCC)ccc2ccc1)=O	116
+Nc1c2nc(ccc2c3ccccc3n1)C	7355
+CC(C)(C)OC(=O)Nc1c(cccc1)C(=O)c2ccc(cc2)Cl	705
+c1ccccc1COc2ccc(cc2)N3C(=O)Nc4cccnc34	7356
+Nc1ccnc(Cl)c1C=O	78
+CC(C)(C)OC(=O)N(c1cn2c(cc1)cnc2C(c3cc(c([N+](=O)[O-])cc3)C(OC)=O)=O)C	7357
+CC(C)(C)OC(=O)Nc1ccc(N2Cc3c(CC2)c(C(=O)N)[nH]n3)nc1	314
+c1(c(c(Cl)ncc1N)F)I	473
+CC(C)(C)OC(Nc1c(I)cc(nc1)Cl)=O	916
+CC(C)(C)OC(=O)Nc1ccc2nc(cn2c1)-c3ccc(cc3)Br	440
+CC(C)(C)OC(N(C)c1c(nc(SC)nc1)Oc2ccccc2C)=O	4136
+CC(C)(C)OC(=O)Nc1snc(-c2cc3c(c[nH]c3cc2)I)n1	7358
+CC(C)(C)OC(Nc1cnc(CNC(=O)c2cn(Cc3cc4c(cc3)nc(cc4)C)nn2)c(C)n1)=O	312
+CC(C)(C)OC(Nc1nc(CCNc2ccc(cc2)[N+](=O)[O-])ccc1)=O	60
+CC(C)(C)OC(Nc1cccc(n1)CCN=[N+]=[N-])=O	254
+C1CCN(C1)Cc2nc(N)ccc2	451
+CC(C)(C)OC(=O)Nc1nc(COS(=O)(=O)C)ccc1	7
+CC(C)(C)OC(=O)Nc1nc2c(cc(cc2s1)C=O)-c3cc(ccc3)[N+](=O)[O-]	1295
+CC(C)(C)OC(=O)Nc1nc2c(cc(CO)cc2s1)-c3cccc([N+](=O)[O-])c3	41
+CC(C)(C)OC(Nc1ncc(cc1)C=2NC(ON=2)=O)=O	7359
+CC(C)(C)OC(=O)Nc1ncc(cc1)CO	351
+c1cc(ccc1Cl)S(=O)(=O)C(c2c(C)cnc(c2)N)c3cc(F)ccc3F	451
+CC(C)(C)OC(Nc1ncc(CCl)s1)=O	2814
+n1c(ccc(CN2CCC(O)C2)c1)N	451
+CC(C)(C)OC(Nc1ncc(cc1)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(Nc1ncc(cn1)-c2nc3c(c(N4CCOCC4)n2)cc(F)c(-c5cccc(S(=O)(=O)C)c5)c3)=O	2680
+CC(C)(C)OC(=O)Nc1nccc(CCO)c1	44
+c1cc(ccc1OC)C(Cc2ccnc(N)c2)=O	451
+CC(C)(C)OC(Nc1cc(CCOc2c3ccccc3c(cc2)[N+](=O)[O-])ccn1)=O	57
+CC(C)(C)[Si](C)(C)OCc1cc(NC(=O)OC(C)(C)C)ncc1	19
+CC(C)(C)OC(Nc1nccc(Cl)c1C=O)=O	1031
+c1cc(ccc1F)NC(C2(CC2)C(=O)Nc3c(F)cc(Oc4cc(ncc4)N)c(F)c3)=O	451
+c1ccccc1COC(=O)Nc2ccc(Oc3ccnc(N)c3)c(F)c2	451
+c1(c2c(ccn1)COC2)N	451
+CC(C)(C)OC(=O)Nc1ncnc2c1c(c(n2-c3cccc(N)c3)Cl)-c4ccc(cc4)Cl	0
+CC(C)(C)OC(N(c1ncsc1)S(=O)(=O)c2c(cc(c(F)c2)F)F)=O	7360
+CC(C)(C)OC(Nc1c(C(O)=O)c2ncc(cc2o1)CC)=O	6
+CC(C)(C)OC(=O)Nc1onc(c1)C(C)(C)CNC	110
+CC(C)(C)OC(=O)Nc1onc(C(C)(C)C=O)c1	24
+CC(C)(C)OC(Nc1onc(C(C)(C)CN(C)C(C)=O)c1)=O	58
+c1c(ccc(-c2cc(C(=O)OC)c(N)s2)c1F)F	2813
+c1(c(C(=O)c2ccccn2)sc(N)n1)-c3occc3	1398
+C1COCCN1Cc2sc(N)nc2-c3occc3	1398
+CC(C)(C)OC(=O)Nc1sc(nc1C(Nc2cnn(C)c2C3CCC(CC3)O)=O)-c4c(F)cccc4F	100
+Fc1cccc(F)c1-c2sc(N)c(C(Nc3c(C4CCC(CC4)N)n(C)nc3)=O)n2	2808
+CC(C)(C)OC(=O)Nc1sc(nc1C(Nc2cnn(C)c2C3CCC(CC3)N)=O)-c4c(F)cccc4F	18
+CC(C)(C)OC(=O)Nc1sc(nc1C(Nc2cnn(C)c2C3CCC(CC3)N=[N+]=[N-])=O)-c4c(F)cccc4F	2135
+CC(C)(C)OC(Nc1c(C(=O)O)nc(s1)-c2ccccc2)=O	6
+CC(C)(C)OC(=O)Nc1nc2c(s1)cc(Cn3ccnc3)cc2-c4cccc([N+](=O)[O-])c4	371
+CC(C)(C)OC(=O)Nc1sc2ccc(nc2c1C(O)=O)-c3ccccc3	6
+CC(C)(C)OC(=O)Nc1sc2c(nc(cc2)-c3ccccc3)c1C(=O)OCC	691
+c1cc(ccc1F)OCCc2csc(N)n2	1398
+CC(C)(C)OC(Nc1nc(CN(C)C(c2nccnc2C)=O)cs1)=O	777
+CC(C)(C)OC(=O)Nc1snc(n1)-c2cc3c(cn(S(=O)(=O)c4ccc(cc4)C)c3cc2)I	367
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(-c4nc(N)sn4)ccc23)-c5cccc(OC(C)C)n5)C	1398
+CC(C)(C)OC(=O)Nc1snc(-c2cc3c(cn(S(=O)(=O)c4ccc(cc4)C)c3cc2)-c5cccc(OC(C)C)n5)n1	7361
+CC(C)(C)OC(N(Cc1ccc2ccccc2c1)n3cccc3)=O	7362
+c1ccccc1C(c2ccccc2)N3CC(C3CC)NC(OC(C)(C)C)=O	3629
+CC(C)(C)OC(=O)N1CCC(CC1)CN(C2C(C2)c3ccc(cc3)Br)C(OC(C)(C)C)=O	23
+CC(C)(C)OC(=O)NCCN(C1CCC(CC1)(O)CC(OCc2ccccc2)=O)C(OC(C)(C)C)=O	23
+CC(C)(C)OC(N(C1CCN(CC1)C(OCc2ccccc2)=O)CCNC(OC(C)(C)C)=O)=O	23
+CC(C)(C)[Si](C)(C)OC1CCCC2C1NCCN2C(OC(C)(C)C)=O	23
+CC(C)(C)OC(=O)NCCCC(C)(C)CO	37
+CC(C)(C)OC(NCC(C)(C)CC(=O)O)=O	37
+CC(C)(C)OC(=O)NCC(C)(C)CN	37
+CC(C)(C)OC(NC(C)(C)Cc1c2c([nH]c1)c(ccc2)OCc3ccccc3)=O	37
+CC(C)(C)OC(NC(C)(C)Cc1cc(Br)ccc1)=O	37
+CC(C)(C)OC(NC(C)(C)C(O)=O)=O	403
+CC(C)(C)OC(=O)NCC(C)(C)N	37
+CC(C)(C)OC(NC(C)(C)CO)=O	37
+CC(C)(C)OC(=O)NC(CO)C(C)(C)c1ccccc1	37
+CC(C)(C)OC(NCCNC(C(C)C)=O)=O	37
+CC(C)(C)OC(NC(C(=O)OCC)CC(Cc1cc2c(cccc2OCCOC)cc1)C(C)C)=O	403
+CC(C)(C)OC(N(CCO)CC(C(C)C)O)=O	23
+CC(C)(C)OC(NC(CO)C(C)C)=O	37
+CC(C)(C)OC(=O)NNc1cc(ccc1Cl)CNC(C(C)C)=O	1609
+CC(C)(C)OC(=O)n1cc(c2c1c(C(=O)OCC)cc(Br)c2)C3CC(C(C)C)SCC3	389
+CC(C)(C)OC(CC(C(OC)=O)CC(C)C)=O	3541
+CC(C)(C)OC(NC(CO)CC(C)C)=O	37
+CC(C)(C)OC(=O)NC(CC(C)C)C(C=C(CCOC1CCCCO1)C(=O)OCC)O	37
+CC(C)(C)OC(NCCC(C)C)=O	37
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(=O)c2c(cc(cc2)-c3sc(c(C)n3)C(OCC)=O)C=1OCCCC	4137
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2c(C=1c3ccccc3F)cc(cc2)OCc4ccccc4)=O	2507
+CC(C)(C)OC(=O)N(C(C)C)CCc1cc(O)ccc1	23
+CC(C)(C)OC(=O)N(Cc1c([N+](=O)[O-])cccc1)C(C)C	23
+CC(C)(C)OC(=O)N(C(C)C)Cc1ccc(cc1)C(OC)=O	23
+CC(C)(C)OC(N(C)Cc1cc([N+](=O)[O-])cc(F)c1SC(C)C)=O	2136
+CC(C)(C)OC(=O)n1c(c(cc1C(=O)OC)Br)C(C)C	1552
+CC(C)(C)OC(Nc1ccc(OCc2n(ncc2C(C)C)-c3c(Cl)cccc3Cl)cc1C)=O	150
+CC(C)(C)OC(NCCc1c([N+](=O)[O-])cc(cc1)C(C)C)=O	37
+CC(C)(C)OC(=O)NC1C(C)(C)C(C(O)=O)C1	7363
+CC(C)(C)OC(NC1(CCC(C1(C)C)Nc2c3n(ncc2C(=O)N)cc(c3)C(OCC)=O)C)=O	37
+CC(C)(C)OC(=O)NC(CN1C(C)(C)CN(C(C1)=O)c2c(C)cccc2)C3CC(CC)C(=O)O3	4138
+CC(C)(C)OC(=O)N1CC(C)(C)c2cnc(Cl)cc12	603
+CC(C)(C)OC(=O)NC(C1CC(C(O1)=O)C)CN2C(C)(C)CN(C(=O)C2)c3cc(F)ccc3Cl	4138
+CC(C)(C)OC(NC(CN1CC(N(c2c(C)cccc2)CC1(C)C)=O)C3CC(C(O3)=O)C)=O	37
+CC(C)(C)OC(N1CC(C)(C)N(CC1C(C)C)Cc2ccccc2)=O	23
+CC(C)(C)OC(=O)N1c2c(C(C)(C)CC1=O)cc(F)cc2	7364
+CC(C)(C)OC(N1c2cc([N+](=O)[O-])ccc2C(C)(C)CC1)=O	603
+CC(C)(C)OC(=O)NC(CC)(CC)C(=O)O	403
+CC(C)(C)OC(NC(CC)CO)=O	37
+CC(C)(C)OC(=O)n1c(c(cc1)C(=O)N(CC)CC)C	1552
+CC(C)(C)OC(NCc1c(O)nc(cc1NCC)C)=O	2751
+CC(C)(C)OC(Nc1nc(C(OCC)=O)cs1)=O	2815
+CC(C)(C)OC(N(CC1C(C1)C(OCC)=O)C)=O	23
+CC(C)(C)OC(NC1CCOCC1C(OCC)=O)=O	37
+CC(C)(C)OC(=O)n1ncc(c1)C(=O)OCC	1687
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2n[nH]c(N=CN(C)C)c2C#N	150
+CC(C)(C)OC(N(CCCCN(C)C)CCC#N)=O	23
+CC(C)(C)OC(=O)Nc1ccc(c(c1)CN(C)C)Br	150
+CC(C)(C)OC(=O)n1ncc2cc(N(C)c3ccnc(n3)Cl)ccc12	868
+CC(C)(C)OC(=O)N(C)Cc1nc2c(cccc2Br)cc1	23
+CC(C)(C)OC(N1CC(CC1C(OC)=O)OC)=O	663
+CC(C)(C)OC(n1c2c(c(OC)ccc2)c(N)n1)=O	868
+CC(C)(C)OC(N1C(C(OC)=O)CN(CC1)C(c2cc(OC)c(c(OC)c2)OC)=O)=O	663
+CC(C)(C)OC(N1CC(C(OC)=O)c2cc(ccc2C1)OC)=O	23
+CC(C)(C)OC(=O)NC(c1cccc(OC)c1)C	37
+CC(C)(C)OC(NC(C[Si](C)(C)C)C(=O)O)=O	403
+CC(C)(C)OC(=O)N1C(C(C1=O)O[Si](C)(C)C)c2ccccc2	7365
+CC(C)(C)OC(=O)NC(c1c(c(C)ccc1)C)CC#C	37
+CC(C)(C)OC(=O)n1ccc2c1c(ccc2)C	389
+CC(C)(C)OC(=O)NCC(C)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)OCC)-c3cc(C)cc(C)c3	37
+CC(C)(C)OC(Nc1ccc(c(-c2ccc(cc2C)C(=O)CC)c1)C)=O	150
+CC(C)(C)OC(=O)NCC(c1c(C)cccc1C)CO	37
+CC(C)(C)OC(Nc1c(-c2c(C)cccc2)ccnc1)=O	970
+CC(C)(C)OC(Nc1c(-c2c(cccc2)C)ncnc1)=O	7366
+CC(C)(C)OC(=O)n1nc(c2ccc(cc12)[N+]([O-])=O)C	868
+CC(C)(C)OC(N1C(CN(CC1)c2nc(c(cc2)[N+]([O-])=O)C)C)=O	23
+CC(C)(C)OC(=O)Nc1cc(c(c(C)n1)C#N)C	718
+CC(C)(C)OC(=O)NCc1ccc(N)nc1C	37
+CC(C)(C)OC(NC(CC(=O)O)c1cccc(Cl)c1Cl)=O	37
+CC(C)(C)OC(N1CCc2c(cc3c(NC(=O)CC3)c2Cl)CC1)=O	23
+CC(C)(C)OC(=O)NCC1Oc2c(Cl)cccc2C1	37
+CC(C)(C)OC(N1Cc2c(C1)c(Cl)sc2Cl)=O	23
+CC(C)(C)OC(=O)N(CC(O)COc1cc(Br)cc(Cl)c1)C	23
+CC(C)(C)OC(Nc1c(ccc(Cl)c1)C=CC(=O)OC)=O	150
+CC(C)(C)OC(Nc1c(cc(Cl)c(Cl)c1)[N+](=O)[O-])=O	150
+CC(C)(C)OC(=O)c1cc(Cl)nc(c1)Cl	1075
+CC(C)(C)OC(=O)NCCc1cncc(c1)Cl	37
+CC(C)(C)OC(=O)n1c2c(C)cc(cc2cc1C(OCC)=O)Cl	389
+CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O	37
+CC(C)(C)OC(=O)n1c(nc2ccccc12)-c3c(ccc(Br)c3)Cl	1399
+CC(C)(C)OC(=O)n1c(C(=O)OC)c(c2ccc(Cl)cc12)NCC(c3ccc(c(c3)F)F)=O	389
+CC(C)(C)OC(=O)N1c2c(C(=Cc3c(OC)cc(F)c(Cl)c3)C1=O)ccc(Cl)c2	1881
+CC(C)(C)OC(=O)N(CCc1ccc2c(NC(=O)C(C)O2)c1)Cc3cc(ccc3)Cl	23
+CC(C)(C)OC(N1CCc2c(CC1)c(O)c(cc2)Cl)=O	4139
+FC(F)(F)C(=O)NCC1CCC(C)(C)CN1C(OC(C)(C)C)=O	1365
+CC(C)(C)OC(=O)N1CC2c3c(cc(C(C)=O)cc3)C(C2)C1	4139
+FC(F)(F)C(NCCN(C1CN(CC1)c2c3nc(ccc3ncc2)OC)C(OC(C)(C)C)=O)=O	23
+FC(F)(F)c1c(OCC)cc(NC(=O)OC(C)(C)C)c([N+]([O-])=O)c1	150
+FC(F)(F)c1cc2N(CCCC(=O)c2cc1C)C(OC(C)(C)C)=O	603
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(cc1)C(F)(F)F)=O	150
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(C)c3cc(Cl)c(cc3)CNC(OC(C)(C)C)=O	1400
+FC(F)(F)c1c(F)cc(C(CN(C(OC(C)(C)C)=O)C)O)cc1	23
+CC(C)(C)OC(=O)NC(C)c1ccc(C(F)(F)F)nc1	37
+CC(C)(C)OC(=O)NC=1COCC(C(F)F)(N=1)c2cc([N+](=O)[O-])cc(F)c2F	2137
+CC(C)(C)OC(NC(COC(F)F)C(O)=O)=O	403
+CC(C)(C)OC(=O)Nc1cc(c2c([nH]c(n2)C(F)F)c1)OC	7367
+CC(C)(C)OC(N1CC(F)(F)C(O)CC1)=O	23
+CC(C)(C)OC(NC(c1cc(c(cc1)F)F)CC(O)=O)=O	37
+CC(C)(C)OC(=O)N(CCO)Cc1c(cccc1)F	23
+CC(C)(C)OC(N1C2C(COC2)n3c(c(c(n3)I)C(=O)OCC)C1)=O	23
+CC(C)(C)OC(=O)n1cc(I)c2c1c(ccn2)Cl	4140
+CC(C)(C)OC(=O)N1CC(n2c3c(c(N)ncn3)c(I)n2)CC1	23
+CC(C)(C)OC(=O)N1CCOCC(n2c3ncnc(N)c3c(I)n2)C1	23
+CC(C)(C)OC(n1nc(C)c(C#N)c1)=O	1687
+CC(C)(C)OC(=O)N(C)Cc1cc([nH]c1)-c2ccccc2F	23
+CC(C)(C)OC(N(CCNCC)CC)=O	23
+CC(C)(C)OC(N1Cc2cccc3C(CCN(C(C1)C)c23)CO)=O	23
+CC(C)(C)OC(=O)N1CC(NCCC1)=O	1568
+CC(C)(C)OC(N1C(CN(C(C)C1)CCCCl)C)=O	23
+CC(C)(C)OC(=O)NC1C(NCCCC1)=O	1245
+CC(C)(C)OC(N1Cc2c3c([nH]c2CC1)c(C)ccc3F)=O	23
+CC(C)(C)OC(N1Cc2c(nc3c(cc(C#N)cc3)c2Cl)CC1)=O	23
+CC(C)(C)OC(N1CCc2ccc(O)cc2C1)=O	23
+CC(C)(C)OC(N1Cc2c(nc(Cl)cc2)CC1)=O	23
+CC(C)(C)OC(N1Cc2cc(-c3cc(F)ccc3)nn2CC1)=O	23
+CC(C)(C)OC(N1NC(=O)c2cccc(F)c12)=O	7368
+CC(C)(C)OC(NC)=O	37
+CC(C)(C)OC(N(Cc1cc(cc(c1O)F)[N+](=O)[O-])C)=O	2136
+CC(C)(C)OC(=O)N(CCOc1c(cccc1)OCC)C(C)Cc2cc3c(c(C(=O)N)c2)N(CCCO)CC3	23
+CC(C)(C)OC(NC(CCC(=O)OC)C(=O)O)=O	403
+CC(C)(C)OC(=O)NC(C(O)=O)Cc1cnc(cc1)Br	403
+CC(C)(C)OC(NC1Cc2c(ccc(O)c2)CC1)=O	37
+CC(C)(C)OC(NCCSSCCN)=O	37
+CC(C)(C)OC(Nc1cc(ccc1C)C#N)=O	150
+CC(C)(C)OC(Nc1c(C)ccc(c1)C(O)C)=O	150
+CC(C)(C)OC(Nc1c(ccc(c1)O)C)=O	150
+CC(C)(C)OC(=O)Nc1ccc(O)cc1F	150
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(c(c1)Cl)C)=O	150
+CC(C)(C)OC(=O)Nc1cc(F)c(C#N)cc1[N+]([O-])=O	150
+CC(C)(C)OC(=O)Nc1cccc2ccc(O)cc12	150
+CC(C)(C)OC(=O)Nc1cc(cc(c1)C)CO	150
+CC(C)(C)OC(=O)Nc1cc([N+]([O-])=O)c(C)cc1	150
+CC(C)(C)OC(=O)Nc1cc(O)c(cc1)C	150
+CC(C)(C)OC(NCCc1c(cc(N)cc1)F)=O	37
+CC(C)(C)OC(=O)N=C1NC(c2c(F)ccc(N)c2)(C)Cn3c(C#N)c(Cl)nc13	2816
+CC(C)(C)OC(Nc1c(C(O)=O)c(ccc1)C)=O	150
+CC(C)(C)OC(=O)Nc1c(C)c(ccc1)F	150
+CC(C)(C)OC(=O)Nc1c(c(ccc1)OC)[N+](=O)[O-]	150
+CC(C)(C)OC(=O)Nc1ccnc(O)n1	718
+CC(C)(C)OC(Nc1cnc(C#N)c(n1)C)=O	7369
+CC(C)(C)OC(Nc1cc(Cl)nc2ccnn12)=O	718
+CC(C)(C)OC(n1nc(N)cc1)=O	1687
+CC(C)(C)OC(=O)Nc1[nH]c2c(c(C)c([N+]([O-])=O)c(C)c2)n1	4141
+CC(C)(C)OC(=O)Nc1cc(Br)ccn1	718
+CC(C)(C)OC(=O)Nc1nccc(CO)c1	718
+CC(C)(C)OC(=O)Nc1nnc(-c2ccc3cnc(F)cc3c2)s1	2815
+CC(C)(C)OC(=O)Nc1nc2c(cc(cc2s1)C#N)-c3cc(ccc3)[N+](=O)[O-]	2815
+CC(C)(C)OC(N(CCC(=O)OCC)C(CC(OCC)=O)C)=O	23
+CC(C)(C)OC(=O)NC(Cc1cccc(c1)O)C(OCC)=O	403
+CC(C)(C)OC(NC(C(O)=O)CC(C)CCOCC=C)=O	403
+CC(C)(C)OC(Nc1c(nccc1)OC)=O	970
+CC(C)(C)OC(=O)NCC(C)C(O)=O	37
+CC(C)(C)OC(NOCC(=O)OC)=O	4142
+CC(C)(C)OC(=O)NC(c1cccc(c1)F)CC(O)=O	37
+CC(C)(C)OC(NC(C(=O)OC)(CF)Cc1cccc(c1)O)=O	403
+CC(C)(C)OC(=O)c1cc(Cl)c(F)cc1Cl	1075
+CC(C)(C)OC(NC(Cc1cc(F)cc(F)c1)c2c(Br)cc(cn2)N3C(=O)c4ccccc4C3=O)=O	37
+CC(C)(C)OC(=O)Oc1c(c(C=O)c(cc1)F)F	4143
+CC(C)(C)OC(n1c2cnc(-n3ncnc3)cc2c(C=O)c1)=O	7370
+CC(C)(C)OC(n1c2cccc(C=O)c2cc1)=O	389
+CC(C)(C)OC(=O)N(c1ccc(cn1)C=O)Cc2ccncc2Cl	1157
+CC(C)(C)OC(Oc1ccccc1C=O)=O	4143
+CC(C)(C)OC(=O)NCCCCS(=O)(=O)NC	37
+CC(C)(C)OC(=O)n1c2c(c(c1)CC(NS(=O)(=O)c3c(C)cc(cc3C)C)C)cccc2	389
+CC(C)(C)OC(NCC(O)CNS(=O)(=O)c1c(Cl)cc(cc1)Cl)=O	37
+CC(C)(C)OC(=O)N(c1ccc(cc1)S(=O)(=O)C)C2CCNC2	603
+CC(C)(C)OC(=O)N=C(c1cc(c(s1)SC)S(=O)(=O)c2cccc(Br)c2)N	7371
+CC(C)(C)OC(=O)N(Cc1cn(S(=O)(=O)c2cnccc2)c3c1ccc(C(OC)=O)c3)C	23
+CC(C)(C)OC(=O)N(Cc1cn(c2cc(Br)ncc12)S(=O)(=O)c3cc(F)ccc3)C	23
+CC(C)(C)OC(N1Cc2c3ccn(c3ccc2OCC1)S(=O)(=O)c4ccccc4)=O	23
+CC(C)(C)OC(NCc1n(S(=O)(=O)CC)ccc1)=O	3835
+CC(C)(C)OC(=O)N1CC2c3c(C(C1)C2)cc(c([N+](=O)[O-])c3)[N+](=O)[O-]	23
+CC(C)(C)OC(NCC(O)C)=O	37
+CC(C)(C)OC(NCCCC(O)C(=O)O)=O	37
+CC(C)(C)OC(NCC(O)COCC)=O	37
+CC(C)(C)OC(=O)N(C)C=1SC2C(C(C(C(CO)O2)O)O)N=1	7372
+CC(C)(C)OC(=O)NC(c1cc(Cl)c(cc1)Cl)CCO	37
+CC(C)(C)OC(=O)N(Cc1ccccc1OC)CCc2c(cc([N+](=O)[O-])c(c2)OC)OC	23
+CC(C)(C)OC(=O)NCc1c(Br)c(C)cc(c1)[N+]([O-])=O	37
+CC(C)(C)OC(NC1C(O)CCC(C(OCC)=O)C1)=O	1401
+CC(C)(C)OC(=O)NC1CC(OC)C(CC1)C(=O)OC	1401
+CC(C)(C)OC(NC1CC=2C(CC1)(C3CCC4(C(C#C)CCC4C3CC=2)C)C)=O	1401
+CC(C)(C)OC(n1c2c(cnc(c2)Br)c(Cl)c1-c3ocnc3)=O	389
+CC(C)(C)OC(N1Cc2cccc3[nH]cc(c23)CC1)=O	23
+CC(C)(C)OC(n1nc(C)cc1)=O	1687
+CC(C)(C)OC(=O)c1cnc(Cl)c(c1)Cl	1075
+CC(C)(C)OC(=O)NC(c1cccc(c1)[N+](=O)[O-])C	37
+CC(C)(C)OC(N(CCO)CC(O)c1cc(C)c([N+](=O)[O-])cc1)=O	23
+CC(C)(C)OC(NCc1c(nc(C)cc1C)OC)=O	37
+CC(C)(C)OC(Nc1cc(C)c(c(c1)C)-c2csc(N)n2)=O	150
+CC(C)(C)OC(N(c1ccc(cc1)C#N)c2nc(c([N+]([O-])=O)c(C=CN(C)C)n2)Oc3c(C)cc(cc3C)Br)=O	7373
+CC(C)(C)OC(=O)N=C1NC2(c3cc(ccc3F)[N+](=O)[O-])CC2CCS1	2720
+CC(C)(C)OC(=O)n1ccc2c1cc(cc2)C=O	389
+CC(C)(C)OC(=O)NCc1sc(C)nn1	37
+CC(C)(C)OC(NCc1c(Cl)c(c(Cl)c(F)c1)N)=O	37
+CC(C)(C)OC(NC(Cc1cc(Cl)c(cc1)O)C(=O)OC)=O	403
+CC(C)(C)OC(Nc1cc(Cl)c(c(Cl)c1)O)=O	150
+CC(C)(C)OC(N1c2cc(Cl)ccc2C(=Cc3cc(ccc3OCC(OC)=O)Cl)C1=O)=O	1881
+CC(C)(C)OC(NC=1SCC2COc3c(cc(c(F)c3)Br)C2(C)N=1)=O	2137
+CC(C)(C)OC(=O)N(CCO)CC(c1cc(F)c(Br)cc1)O	23
+CC(C)(C)OC(Nc1sc(c(c1C#N)C)C(=O)OC)=O	2408
+CC(C)(C)OC(=O)Nc1cc(C)c(c(C)c1C)O	150
+CC(C)(C)OC(Nc1c(C(=O)OC)ccs1)=O	2408
+CC(C)(C)OC(Nc1cccnc1)=O	970
+CC(C)(C)OC(Nc1cc(Cl)ncc1)=O	150
+CC(C)(C)OC(=O)Nc1cnc(cc1)Cl	970
+CC(C)(C)OC(=O)Nc1cnc(cc1)N	970
+CC(C)(C)OC(Nc1cc(OC)cc(c1)OC)=O	150
+CC(C)(C)OC(N(c1cc([N+]([O-])=O)ccc1O)C)=O	603
+CC(C)(C)OC(=O)NC(c1cc([N+](=O)[O-])ccc1)C(OC)=O	403
+CC(C)(C)OC(Nc1ccc(c([N+]([O-])=O)c1)F)=O	150
+CC(C)(C)OC(=O)Nc1c(cc(C(OCC)=O)nc1I)C	970
+CC(C)(C)OC(Nc1c(cc(cc1)OCC)C)=O	150
+CC(C)(C)OC(=O)Nc1ccc(I)cc1C	150
+CC(C)(C)OC(N(C)c1cc(C)c(O)c(C)c1C)=O	603
+CC(C)(C)OC(=O)NC(=N)c1c(cc(O)cn1)O	2137
+CC(C)(C)OC(N1Cc2c(cccc2C1)C#N)=O	23
+CC(C)(C)OC(Nc1cc(c(c2ccccc12)CCOC(=O)C)[N+](=O)[O-])=O	150
+CC(C)(C)OC(n1c2cccc(c2c(C=O)c1)O)=O	389
+CC(C)(C)OC(=O)n1cc(c2nccc(C)c12)I	4140
+CC(C)(C)OC(=O)N(C1CCC(=CC1)c2c3c([nH]c2)ccc([N+](=O)[O-])c3)C	23
+CC(C)(C)OC(=O)N(C1CC=C(CC1)c2c3c([nH]c2)ccc([N+](=O)[O-])c3)CC	23
+CC(C)(C)OC(n1ccc2c(c(C)ccc12)Cl)=O	389
+CC(C)(C)OC(NC(CCO)(C)c1c(F)cc(F)c(c1)Br)=O	37
+CC(C)(C)OC(=O)N(c1ccc(c(F)n1)Br)Cc2cnc(OC)c(F)c2	1157
+CC(C)(C)OC(=O)NC(C(C)O)c1cc(F)c(F)cc1	37
+CC(C)(C)OC(=O)NCc1cc(F)c(cc1F)C#N	37
+CC(C)(C)OC(N(CC(O)c1c(cc(cc1)[N+](=O)[O-])Br)CCO)=O	23
+CC(C)(C)OC(N(Cc1cc(ccc1Oc2cc(Cl)c(cc2)Cl)Br)C)=O	23
+CC(C)(C)OC(NCc1cc(F)c(c(F)c1)Oc2cc(cc(C(OCC)=O)c2)O)=O	1400
+CC(C)(C)OC(=O)Nc1cc(cc(N)c1)Cl	150
+CC(C)(C)OC(NC(C)(c1cccc(Br)c1)CO)=O	37
+CC(C)(C)OC(N(C(CC(=O)OCC)c1cccc(O)c1)C)=O	23
+CC(C)(C)OC(=O)N(CC(c1ccc(nc1)-n2c(ccc2C)C)O)CC3CCc4c(ccc(I)c4)O3	23
+CC(C)(C)OC(N(C(=O)c1sccc1Br)c2c(c(c(OC)cc2)F)F)=O	7374
+CC(C)(C)OC(=O)N(C1c2c(ccc(c2)I)C(CC1)c3ccc(c(Cl)c3)Cl)C	23
+CC(C)(C)OC(=O)NC(CC=C)c1cccc(-c2c([N+](=O)[O-])cnn2C)n1	37
+CC(C)(C)OC(=O)NCCc1cccc(Br)c1	37
+CC(C)(C)OC(=O)NC=1COCC(c2cccc(Br)c2)(N=1)C	2137
+CC(C)(C)OC(=O)N1CCOC(C1)Cc2cccc(c2)Br	23
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+]([O-])=O)OCc2c(cccc2)C(OC)=O	150
+CC(C)(C)OC(NC(CC(OC)=O)c1ccccc1Cl)=O	37
+CC(C)(C)OC(N(C)C(CO)Cc1sccc1)=O	23
+CC(C)(C)OC(=O)Nc1c2n(nc1CC)c(ccc2)Br	7375
+CC(C)(C)OC(=O)N1CCC(CC1)(c2ccc(cc2)Br)CBr	4137
+CC(C)(C)OC(N1CCc2ccc(Cl)c3NCC(c23)C1)=O	23
+CC(C)(C)OC(=O)n1c2cc(Br)cc(N)c2nc1	1399
+CC(C)(C)OC(NCc1nc(OC)c(C#N)c(c1)C)=O	7376
+CC(C)(C)OC(=O)NC1c2ccccc2C(O)CC1	37
+CC(C)(C)OC(=O)N(C1CCC(c2c3ncccc3[nH]c2)=CC1)C	23
+CC(C)(C)OC(Nc1c(Br)c2c(cc1)nccc2)=O	150
+CC(C)(C)OC(=O)n1nc2c(c(nc3cc4ccccc4cc23)O)c1C	7377
+CC(C)(C)OC(=O)N1CCCN(c2n(c3ccccc3n2)CCO)CC1	23
+CC(C)(C)OC(n1cnc2c(c(ccc12)[N+](=O)[O-])C)=O	1399
+CC(C)(C)OC(=O)N1Cc2cc(c(Cl)cc2C1)I	23
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)Oc3nc(ncc3)Cl	389
+CC(C)(C)OC(N(Cc1cc2c([nH]c(c2)C(=O)OC)nc1)Cc3cccc(c3)[N+]([O-])=O)=O	23
+CC(C)(C)OC(N1Cc2n(c3nc(Br)ccc3c2)C(C1)C)=O	23
+CC(C)(C)OC(=O)n1ccc2cc(C#N)ccc12	389
+CC(C)(C)OC(=O)n1ncc2c1cc([N+](=O)[O-])cc2	868
+CC(C)(C)OC(n1c2c(ccc(SC)c2)cc1C)=O	389
+CC(C)(C)OC(n1c2c(nc1)c(CO)ccc2)=O	1399
+CC(C)(C)OC(NC1c2c(cccc2)CC1O)=O	37
+CC(C)(C)OC(N1CC(c2c3cccc4CCCn(c2)c34)C(c5c[nH]c6c5cccc6)C1)=O	23
+CC(C)(C)OC(=O)Nc1ccc(c2ccccc12)O	150
+CC(C)(C)OC(NCC1C(c2c3c(nn(C)c3)ccc2)C1)=O	37
+CC(C)(C)OC(=O)Nc1cc(cc(Br)c1Cl)C#N	150
+CC(C)(C)OC(NC1Cc2c(cc(cc2)Br)CC1)=O	37
+CC(C)(C)OC(=O)NCc1c2c(OC)cc(cc2c(C(OCC)=O)cn1)OC	37
+CC(C)(C)OC(n1c(nc2ccc(cc12)C=O)-c3c(C)cccc3C)=O	1399
+CC(C)(C)OC(N1CCc2[nH]c3c(cc(C)cc3c2C1)C)=O	23
+CC(C)(C)OC(NCc1cccc2c1n(CC(=O)O)cc2)=O	37
+CC(C)(C)OC(=O)N(C)Cc1cc(Oc2c(c3cc([nH]c3cc2)C)F)ncn1	23
+CC(C)(C)OC(=O)N1C(c2cc(F)cc(F)c2)COCC1=O	3877
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(cc1)I)=O	150
+CC(C)(C)OC(=O)Nc1cc(C(O)=O)ccc1	150
+CC(C)(C)OC(Nc1cccc(C#C)c1)=O	150
+CC(C)(C)OC(=O)Nc1cccc(OCOC)c1	150
+CC(C)(C)OC(=O)N(C)c1cc(ncn1)Cl	1157
+CC(C)(C)OC(=O)NNc1ccc(C)c(c1)Cl	1609
+CC(C)(C)OC(Nc1cc(OC)c(c(c1)OC)C)=O	150
+CC(C)(C)OC(n1c(-c2c(ccc(c2)Br)F)nc3c1ccc(OC)c3)=O	1399
+CC(C)(C)OC(n1c(cc(n1)-c2cnc(OC)cc2)N)=O	1687
+CC(C)(C)OC(N(Cc1c(C)c(N)ccc1)CC)=O	23
+CC(C)(C)OC(n1cc2c3c1C(=O)N(C)C=C3c4cc(cc(F)c4NC2)F)=O	1552
+CC(C)(C)OC(NNc1ccc(cc1Cl)F)=O	1609
+CC(C)(C)OC(N(Cc1cc(ccc1)O)CCc2cccc(Cl)c2)=O	23
+CC(C)(C)OC(N=C1SCC2C(COC2C)(c3c(F)ccc(c3)Br)N1)=O	2720
+CC(C)(C)OC(=O)N(Cc1cc(ccc1I)Br)CC	23
+CC(C)(C)OC(Nc1ccc(cc1[N+](=O)[O-])Br)=O	150
+CC(C)(C)OC(N1CC2CC(=O)Nc3cc(Br)ccc3N2CC1)=O	23
+CC(C)(C)OC(=O)N1CCc2c([nH]c3cc(Br)ccc23)C1	23
+CC(C)(C)OC(n1c2c(ccc(c2)Br)c(CC(OCC)=O)c1)=O	389
+CC(C)(C)OC(N=C1CC(=Cc2c(cc(Br)cc2)N1)C(OCC)=O)=O	2816
+CC(C)(C)OC(N1CCc2c3cc(ccc3[nH]c2C1)Br)=O	23
+CC(C)(C)OC(N(C1CC(N(Cc2ccccc2)C1)C(=O)OC)Cc3c(F)cc(cc3)F)=O	2136
+CC(C)(C)OC(NC(Cc1ccc(c(c1)OC)O)C(=O)O)=O	403
+CC(C)(C)OC(NC(c1ncc(F)cc1F)C)=O	37
+CC(C)(C)OC(N(C)C1CCC(c2ccc(c(Cl)c2)Cl)c3ccc(C(=O)OC)cc13)=O	23
+CC(C)(C)OC(N1C(Cc2c(cc(O)cc2)C1)C(O)=O)=O	663
+CC(C)(C)OC(=O)NC1C(=O)Nc2ccccc2CC1	1245
+CC(C)(C)OC(N1CCc2c(cc(cc2)C(=O)OC)C1)=O	23
+CC(C)(C)OC(n1c2cccc([N+](=O)[O-])c2c(n1)Cl)=O	868
+CC(C)(C)OC(NCCc1c2ccccc2[nH]c1)=O	37
+CC(C)(C)OC(=O)NC1Cc2cc(ccc2C1)Br	37
+CC(C)(C)OC(=O)n1c2ccc(C)cc2cc1C#N	389
+CC(C)(C)OC(=O)N1c2ccccc2CCC1	603
+CC(C)(C)OC(N1CCCC1c2cc3ccc(F)cc3nc2Cl)=O	23
+CC(C)(C)OC(NCCc1ccc(Br)cn1)=O	37
+CC(C)(C)OC(=O)N(Cc1cc([N+]([O-])=O)c(cc1)OC)C	23
+CC(C)(C)OC(=O)N1Cc2c(C1)ccc(Cl)n2	23
+CC(C)(C)OC(Nc1ccc2c(c1)cc(OC)cc2)=O	150
+CC(C)(C)OC(n1c(ccc1C(OCC)=O)Br)=O	1552
+CC(C)(C)OC(N1CC(C(c2ccc(c(c2)Cl)Cl)C1)C(OC)=O)=O	23
+CC(C)(C)OC(c1ccc(cc1[N+](=O)[O-])C(OC)=O)=O	1075
+CC(C)(C)OC(=O)NC(C)c1cc2c(n1-c3cccc(F)c3)cccc2	37
+CC(C)(C)OC(NCc1c(c2c(nc1CC(C)C)ccc(Br)c2)-c3ccccc3)=O	37
+CC(C)(C)OC(N(Cc1cn(S(=O)(=O)c2cccc(c2)C(=O)OC)c(-c3ccccc3)c1)C)=O	23
+CC(C)(C)OC(=O)N(C(C)C(F)c1ccccc1)Cc2cc([N+]([O-])=O)ccc2	23
+CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C	23
+CC(C)(C)OC(=O)NCCC(O)c1ccccc1	37
+CC(C)(C)OC(=O)N1C2CC(CC1CC2)(c3ccccc3)C(O)=O	23
+CC(C)(C)OC(=O)NC1C(Oc2ccccc2NC1=O)c3ccccc3	1245
+CC(C)(C)OC(=O)NCC(O)Cc1ccccc1	37
+CC(C)(C)OC(N1CC(C(=O)OCC)(F)C(Cc2ccccc2)C1)=O	1365
+CC(C)(C)OC(=O)N1CC2C(C1CO)CC(C)C2	1365
+CC(C)(C)OC(=O)N1C(C)(C)CN(C2(CCCC2)C1)Cc3ccccc3	23
+CC(C)(C)OC(=O)N1CCC2N(Cc3ccccc3)C(CCC2)C1	23
+CC(C)(C)OC(=O)NCCC1CN(CC1)Cc2ccccc2	37
+CC(C)(C)OC(=O)NCC1CCN(Cc2ccccc2)C1	37
+CC(C)(C)OC(N(C1CN(CC1)Cc2ccccc2)c3ncc(C=CC(=O)OCC)cc3)=O	1157
+CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1CCO	23
+CC(C)(C)OC(=O)N1C(=O)CN(Cc2ccccc2)C(=O)C1CCCC	7378
+CC(C)(C)OC(N(C1C(c2ccc(c(Cl)c2)Cl)CN(Cc3ccccc3)C1)C)=O	23
+CC(C)(C)OC(=O)NCC1(CN(CC1)Cc2ccccc2)O	37
+CC(C)(C)OC(NC1CCC2CN(CC12)Cc3ccccc3)=O	37
+CC(C)(C)OC(N1CCCC2CN(Cc3ccccc3)CC12)=O	23
+CC(C)(C)OC(=O)N1CCC(CC1)(c2cc(nc(Cl)n2)N3CCOCC3C)S(=O)(=O)C4CC4	1365
+CC(C)(C)OC(NC1CN(Cc2ccccc2)CCCC1)=O	37
+CC(C)(C)OC(=O)N(CCN1C=2C(C(N=C(N=2)O)=O)=Nc3cc(c(cc13)Cl)C)Cc4ccccc4	23
+CC(C)(C)OC(=O)NC1C(F)CN(C(=O)OCc2ccccc2)C1	37
+CC(C)(C)OC(NC1CCCCN(C1)C(=O)OCc2ccccc2)=O	37
+CC(C)(C)OC(=O)NCC1CN(C(OCc2ccccc2)=O)CC1=NOC	37
+CC(C)(C)OC(N(C1CCCC(C1O)NC(OCc2ccccc2)=O)C)=O	23
+CC(C)(C)OC(NCC1(c2ccccc2)C(COCc3ccccc3)C1)=O	37
+CC(C)(C)OC(=O)Nc1c(N2C(CC(COCc3ccccc3)C2)=O)nn(C)c1	7379
+CC(C)(C)OC(NCC(C)OCCOCc1ccccc1)=O	1401
+CC(C)(C)OC(NC(C(=O)O)C(C)(C)SCc1ccccc1)=O	403
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(-c3ccc(cc3)OC)c(-c4ccc(cc4)OC)[nH]2	23
+CC(C)(C)OC(=O)n1c2c(cc(-c3ccc(cc3)C#N)cc2)cc1	389
+CC(C)(C)OC(=O)Nc1ccc(cn1)-c2ccc(cc2)C(OC)=O	718
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2csc(n2)N	37
+CC(C)(C)OC(=O)NCc1ccc(cc1)-c2csc(n2)N	1400
+CC(C)(C)OC(NCc1c2c(ccc1)c(O)nc(-c3ccc(cc3)CN4CCN(CC4)C)c2)=O	1400
+CC(C)(C)OC(Nc1c2c(nn(-c3ccc(cc3)[N+]([O-])=O)c2ncn1)I)=O	718
+CC(C)(C)OC(=O)N1CC2CC2(c3ccc(cc3)Br)C1	23
+CC(C)(C)OC(=O)N(CC(c1cccnc1)O)CCCc2ccc(cc2)Br	23
+CC(C)(C)OC(=O)N(CC(O)c1cccnc1)CCc2ccc(cc2)Br	23
+CC(C)(C)OC(=O)NCc1ccc(cc1)N2C(=O)OC(C(=O)O)C2	1400
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)C#N)=O	23
+CC(C)(C)OC(N(c1cc(C)c(cc1)Br)c2ccc(cc2)C#N)=O	7380
+CC(C)(C)OC(=O)NCCc1ccc(cc1)C(=O)O	37
+CC(C)(C)OC(NCC(C)(C)c1ccc(cc1)[N+](=O)[O-])=O	37
+CC(C)(C)OC(N(C)CC(CC=C)c1ccc(cc1)F)=O	23
+CC(C)(C)OC(=O)NCc1ccc(cc1)C(OC)=O	37
+CC(C)(C)OC(NCc1c(-c2ccc(cc2)C)c(c(C)nc1CC(C)C)C(OC)=O)=O	37
+CC(C)(C)OC(NCc1c(-c2ccc(cc2)C)c3cc(ccc3nc1CC(C)C)O)=O	2751
+CC(C)(C)OC(=O)NC1(CCCC1NS(=O)(=O)c2ccc(cc2)C)C	37
+CC(C)(C)OC(N1Cc2c3c(c(Sc4ccc(cc4)C)ccc3)[nH]c2CC1)=O	23
+CC(C)(C)OC(=O)NCc1ccc(cc1)C2(CCCCC2)O	1400
+CC(C)(C)OC(NC1CC1c2ccc(cc2)O)=O	37
+CC(C)(C)OC(N1CC(c2ccc(cc2)Br)CC1)=O	23
+CC(C)(C)OC(N1CC(c2ccc(cc2)N)SCC1)=O	23
+CC(C)(C)OC(=O)NCc1ccc(cc1)CC(=O)O	37
+CC(C)(C)OC(=O)NCCC1(CCCC1)C(=O)NC(Cc2ccc(cc2)[N+]([O-])=O)C(OC)=O	37
+CC(C)(C)OC(N1CCOC(Cc2ccc(cc2)OCc3ccccc3)C1)=O	23
+CC(C)(C)OC(=O)NCCc1ccc(cc1)N	37
+CC(C)(C)OC(=O)N(CCc1ccc(cc1)O)Cc2ccccc2	23
+CC(C)(C)OC(Nc1ccc(cc1)CCO)=O	150
+CC(C)(C)OC(=O)Nc1ccc(cc1)CCc2c(Cc3ccc(cc3)S(=O)(=O)C)sc(NC(C)=O)n2	150
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)CF)C(O)=O	403
+CC(C)(C)OC(NCc1ccc(cc1)CNC(N2CCN(CC2)C(=O)CNC(OCc3ccccc3)=O)=O)=O	37
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)[N+]([O-])=O	23
+CC(C)(C)OC(=O)Nc1ncnc2n(-c3cccc([N+](=O)[O-])c3)c(c(-c4ccc(cc4)Cl)c12)Cl	718
+CC(C)(C)OC(NCC(c1ccc(cc1)Cl)CC(O)=O)=O	37
+CC(C)(C)OC(N1CCC(CC1)(c2ccc(cc2)Cl)C(=O)C)=O	23
+CC(C)(C)OC(=O)N(CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F)CC(=O)OCC	663
+CC(C)(C)OC(=O)N1CC(C(c2ccc(cc2)F)CC1)CO	1688
+CC(C)(C)OC(=O)N(CCc1ccc([N+](=O)[O-])cc1Cl)Cc2ccc(cc2)F	23
+CC(C)(C)OC(=O)Nc1ccc(cc1)CO	150
+CC(C)(C)OC(=O)Nc1ccc(cc1)I	150
+CC(C)(C)OC(=O)Nc1ccc(cc1)Sc2ccc(cc2[N+](=O)[O-])C(=O)OC	150
+CC(C)(C)OC(NC1CN(CC1)c2ccc(cc2)C(OC)=O)=O	37
+CC(C)(C)OC(=O)Nc1ccc(cc1)N2CCN(CC2)C	150
+CC(C)(C)OC(=O)NCCN1CCN(CC1)c2ccc(cc2)[N+]([O-])=O	1401
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)O)C	37
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC#CC)C(=O)O	403
+CC(C)(C)OC(NC(C)(C)COc1ccc(cc1)C#N)=O	37
+CC(C)(C)OC(NCC(CCOc1ccc(cc1)C#N)O)=O	37
+CC(C)(C)OC(NCCOc1ccc(cc1)[N+]([O-])=O)=O	37
+CC(C)(C)OC(N(CCc1ccccn1)c2ccc(cc2)[N+]([O-])=O)=O	603
+CC(C)(C)OC(NCCOCCOCCOCCOc1ccc(cc1)[N+](=O)[O-])=O	37
+CC(C)(C)OC(N(CCO)CC(c1ccc(cc1)[N+]([O-])=O)O)=O	23
+CC(C)(C)OC(=O)N(CCc1ccc(cc1)[N+]([O-])=O)Cc2ccccc2	2136
+CC(C)(C)OC(=O)N(CCOc1ccc(cc1)[N+]([O-])=O)CC	23
+CC(C)(C)OC(N=C1NC(c2ccncc2)(c3cccnc13)c4cc(ccc4)O)=O	2816
+CC(C)(C)OC(c1ccc(cn1)C(OC)=O)=O	1075
+CC(C)(C)OC(Nc1ncc(cc1)Br)=O	718
+CC(C)(C)OC(=O)N1c2ccc(Br)cc2CC1	603
+CC(C)(C)OC(=O)NC1Cc2cc(O)ccc2C1	37
+CC(C)(C)OC(=O)N(CCc1ncccc1)Cc2cc(ccc2)CCOC3OCCCC3	23
+CC(C)(C)OC(NNc1cc(ccc1)C(OC)=O)=O	1609
+CC(C)(C)OC(=O)N(Cc1cc(ccc1)CCO)Cc2ccccc2O	23
+CC(C)(C)OC(=O)N(CC(C(O)C1CCCCC1)N2C(c3ccccc3C2=O)=O)C	23
+CC(C)(C)OC(=O)n1ccnc1CCNC(c2ccccc2N)=O	7381
+CC(C)(C)OC(=O)N1CCC(CC1c2ccccc2OC)O	23
+CC(C)(C)OC(=O)n1nc(c2cc([N+](=O)[O-])ccc12)-c3ccccc3	868
+CC(C)(C)OC(NC(c1nc2c(cc(F)cc2)c(c1-c3ccccc3)C(=O)OC)C)=O	37
+CC(C)(C)OC(Nc1ccc(-c2ccccc2)nc1Br)=O	970
+CC(C)(C)OC(=O)N(C1CCC(C(=O)O)C1)Cc2ccc(cc2)-c3ccccc3	23
+CC(C)(C)OC(=O)NCC(C1CC1)NC(c2ccccc2)C	37
+CC(C)(C)OC(=O)NCC(c1ccccc1)O	37
+CC(C)(C)OC(=O)NC(c1ccccc1)COc2ccc(c(N)c2)[N+]([O-])=O	37
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CNC(OC(C)(C)C)=O	37
+CC(C)(C)OC(=O)N1CCC(CC1)(c2ccccc2)C(O)=O	23
+CC(C)(C)OC(NC1CCCC(NC1=O)c2ccccc2)=O	7382
+CC(C)(C)OC(=O)N1CCCC(c2ccccc2)C1C(=O)O	663
+CC(C)(C)OC(=O)N1CCNC(c2ccccc2)C1	23
+CC(C)(C)OC(NC(Cc1ccccc1)CCCc2ccccc2C(=O)OC)=O	37
+CC(C)(C)OC(NC(Cc1ccccc1)(CO)C)=O	37
+CC(C)(C)OC(N1CC(C(=O)OCC)(F)C(Cc2ccccc2)C1)=O	23
+CC(C)(C)OC(=O)NC1C(N(Cc2ccccc2)C(CC1)=O)c3c(ccc(c3)F)F	7383
+CC(C)(C)OC(=O)N1CCC2(N(Cc3ccccc3)CCC2)C1	23
+CC(C)(C)OC(=O)N(C(C)C)C1CCN(CC1)Cc2ccccc2	23
+CC(C)(C)OC(=O)N1Cc2c(ncn2CC1)C(=O)OC	1365
+CC(C)(C)OC(=O)N(CCN(S(=O)(=O)C)c1cc2C(=O)N(C(c2cc1)=O)CC(=O)OCc3ccccc3)CCOC	23
+CC(C)(C)OC(=O)NC1CCC(C)N(C(=O)OCc2ccccc2)CC1O	37
+CC(C)(C)OC(NCC1(C)C(C)(C)C(NC(OCc2ccccc2)=O)CC1)=O	37
+CC(C)(C)OC(=O)NOC(Cc1ccccc1)C(OCc2ccccc2)=O	4142
+CC(C)(C)OC(N(CCO)C1CCC(CC1)N(C)C)=O	1688
+CC(C)(C)OC(N1C(CCC(O)C1)C)=O	1688
+CC(C)(C)OC(N1CCN(C)CC1C(N(C)OC)=O)=O	1688
+CC(C)(C)OC(N(C1C(O)CN(C(OCc2ccccc2)=O)CC1)Cc3ncc4OCCOc4c3)=O	23
+CC(C)(C)OC(=O)Nc1cc2c(cc1OC)C34CCCCC3C(C2)N(CC4)C(OCc5ccccc5)=O	150
+CC(C)(C)OC(=O)NC(C)Cn1c2c(ccc3OCC(Oc23)CO)cn1	1688
+CC(C)(C)OC(NCC1C(NC(=O)OCc2ccccc2)CCN1C(=O)OCc3ccccc3)=O	1401
+CC(C)(C)OC(=O)NC12C3CC(CC(C3)C1)(COCc4ccccc4)C2	37
+CC(C)(C)OC(NC1(CC1)CCOCc2ccccc2)=O	37
+CC(C)(C)OC(NCCc1c(cc(C(C)C)cc1)OCc2ccccc2)=O	37
+CC(C)(C)OC(=O)NCc1c(cc(cc1)F)OCc2ccccc2	37
+CC(C)(C)OC(NC(C)(C)CNc1c2c(ccc(c2)OCc3ccccc3)ncc1[N+](=O)[O-])=O	37
+CC(C)(C)OC(N1CC(c2cc(OCc3ccccc3)ccc2C1)O)=O	23
+CC(C)(C)OC(=O)N1Cc2ccc(cc2OCC1)OCc3ccccc3	23
+CC(C)(C)OC(=O)NCCC(c1ccc(cc1)N(C)c2ccc(cc2)OCc3ccccc3)C	37
+CC(C)(C)OC(=O)NCC1=C(c2c(ccc(c2)OCc3ccccc3)C(=O)N1CC(C)C)OCCCC	2507
+CC(C)(C)OC(N1CC2C(C1)c3c(CO2)cc(cc3)OCc4ccccc4)=O	23
+CC(C)(C)OC(Nc1c(OCc2ccccc2)cccc1F)=O	150
+CC(C)(C)OC(=O)NCCC(c1cc(ccc1)OCc2ccccc2)O	37
+CC(C)(C)OC(=O)n1c(cc2c(OCc3ccccc3)cccc12)C(OCC)=O	389
+CC(C)(C)OC(NCc1nc2c(n1Cc3ccccc3)C(=O)N(C(=O)N2C)CCCCC(O)C)=O	37
+CC(C)(C)OC(N1CCCC(N(C(=O)CC)c2ccccc2)C1)=O	23
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(c(c2)[N+]([O-])=O)Sc3ccccc3	23
+CC(C)(C)OC(=O)Nc1cc(c(-n2cccc2)cc1[N+](=O)[O-])OCCOC	150
+CC(C)(C)OC(=O)Nc1ncc(cc1)C	718
+CC(C)(C)OC(=O)n1c2ccccc2cc1-c3cnco3	389
+CC(C)(C)OC(=O)n1c2cc([N+]([O-])=O)c(cc2c(I)n1)C	868
+CC(C)(C)OC(=O)n1nc(c2ccc([N+]([O-])=O)cc12)I	868
+CC(C)(C)OC(NC1CCCN(C1)c2nc(Cl)nc3CCCCc23)=O	37
+CC(C)(C)OC(Nc1n(c2ccc(Nc3nc(ncc3)Cl)cc2n1)C)=O	4141
+CC(C)(C)OC(N(CC)Cc1c(c(Br)cnc1)C)=O	23
+CC(C)(C)OC(=O)N1CCc2nc3ccnn3c(Cl)c2CC1	23
+CC(C)(C)OC(=O)N(CCCCC(OC)=O)c1ncccc1	1157
+CC(C)(C)OC(=O)N1Cc2n(cnn2)CC1	23
+CC(C)(C)OC(N(Cc1ccc(s1)C(OC)=O)C)=O	23
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(c3s2)Oc4ccc([N+]([O-])=O)cc4F)cc1)CCOC	23
+CC(C)(C)OC(N(CCOC)Cc1n(c(nc1)-c2cc3c(c(Oc4ccc([N+]([O-])=O)cc4F)ccn3)s2)C)=O	23
+CC(C)(C)OC(=O)Oc1ccc(c(C#CC(C)(C)O)c1)-c2cc(OC)ccc2F	4144
+CC(C)(C)OC(=O)Oc1cc(c(cc1)-c2c(ccc(OC)c2)F)C#CC(C)(C)OC	4145
+CC(C)(C)OC(=O)NCC(C)(C)N	7384
+C(C)OC(c1ncc(C(=O)O)[nH]1)=O	153
+c1(C)c(C(=O)O)ncc(C#N)c1	153
+CC(C)(C)Cc1nc(c(c(c1C#N)-c2ccc(cc2)C)C(O)=O)C	153
+CC(C)(C)OC(c1ccccc1CN2C(=O)C3(CCN(CC3)CCCC(=O)c4ccccc4)N(c5ccccc5)C2)=O	183
+CC(C)(C)OC(=O)c1cc(C2CC2)c(OCC3(CCC4(CC3)OCCO4)C)cc1F	2530
+c1cc(ccc1-c2c(C(=O)NC)c3cc(c(cc3o2)CC(=O)OC)-c4cc(C(O)=O)c(F)cc4)F	153
+Nc1c(C(=O)O)ncc(C#N)c1	153
+C1CCC(C1)Sc2c(C(O)=O)cnn2-c3ccc(cc3)C(OC)=O	153
+O=C(c1cc(-c2ccccc2[N+]([O-])=O)[nH]c1C)O	153
+C(C)OC(c1c2cccnn2c(C(=O)O)c1C)=O	153
+C1CC1c2ncc(cc2Cl)Oc3c(cc(C(=O)O)c(c3)Cl)Cl	153
+CC(C)(C)OC(=O)c1nc(n(c1C)-c2ccc(cc2)[N+]([O-])=O)-c3c(cccc3)Cl	431
+c1cc(ccc1-c2c(C)cc(C(=O)O)cc2)C#N	153
+CC(C)(C)OC(=O)c1cc(C2CC2)c(OCC3(CCC(CC3)O)C)cc1F	100
+CC(C)(C)OC(=O)c1cc(C2CC2)c(OCC3(CCC(CC3)=O)C)cc1F	97
+CC(C)(C)OC(c1cc(C)nc(CC)c1)=O	7385
+CC(C)(C)OC(=O)c1cc(Cl)nc(c1)N(C)C	43
+CC(C)(C)OC(c1cc(Cl)nc(NN)c1)=O	383
+CC(C)(C)OC(c1cc(C=C)nc(N(C)C)c1)=O	3354
+CC(C)(C)CNC(c1cc(c(-c2c(C)c(F)cc(C(OC(C)(C)C)=O)c2)cc1)C(=O)O)=O	1
+C1CC1(C(=O)OCC)c2ccc(cc2)-c3c(OC)cc(-c4sc(cc4C(O)=O)F)cc3	153
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OCC)-c4c(C(=O)O)cc(F)s4	153
+C1CC(CCC1)c2c-3n(c4cc(C(O)=O)ccc24)CC(C(=O)OC)=Cc5cc(OC)ccc-35	153
+C(c1ccc2c(c1)ccn2-c3ccc(CC(OC)=O)cc3C#N)(=O)O	153
+c1c(c(ccc1)F)-c2ccc(C(=O)O)cn2	153
+CC(C)(C)OC(=O)c1ccc(nc1Cl)-c2cc(cc(F)c2)OCC(C)C	140
+O=S1(=O)N(CCOC1)c2cc(c(cc2)C(O)=O)Cl	153
+CC(C)(C)OC(c1ccc(NC2CCNCC2)c(c1)[N+](=O)[O-])=O	2
+c1cc(ccc1C(=O)O)C#CC#N	153
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(Nc2ccccc2)=O)CNC(C)=O	33
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(OC)=O)CNC(C)=O	68
+c1ccccc1NC(=O)C(c2ccc(cc2)C(=O)O)CNC(C)=O	153
+c1cc(ccc1C(=O)O)C(C(OC)=O)CNC(=O)NC	153
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(=O)O)CNC(=O)C	4
+c1ccccc1C2=C(N(Cc3ccc(cc3)C(O)=O)C(c4ccc(C(=O)N)cc24)=O)C(=O)OC	153
+CC(C)(C)OC(=O)c1ccc(cc1)CN2C(c3c(cc(C(=O)O)cc3)C(=C2C(=O)OC)c4ccccc4)=O	1
+CC(C)(C)OC(=O)c1ccc(cc1)CN2C(=C(c3ccccc3)c4c(ccc(C(=O)N)c4)C2=O)C(=O)OC	169
+CC(C)(C)OC(c1ccc(cc1)NC(c2cc(ccc2)-c3cc(c4ncnn4c3)Nc5ccc(c(n5)OC)OC)=O)=O	7386
+CC(C)(C)OC(=O)c1ccc(cc1)NCCNS(=O)(=O)c2ncn(C)c2	4146
+CC(C)(C)OC(=O)c1ccc(cc1)NCCN(S(=O)(=O)c2ncn(C)c2)Cc3ccccc3	692
+CC(C)(C)OC(c1c(O)cc(OC(=O)c2ccc(cc2)-c3ccccc3)cc1)=O	1039
+CC(C)COc1cc(F)cc(-c2nc(Cl)c(cc2)C(O)=O)c1	153
+CC(C)(C)OC(=O)c1ccc2c(CCC2Nc3cc(C(OC)=O)nc4ccnn34)c1C	1005
+C(OC)(c1cc(ccc1[N+]([O-])=O)C(=O)c2ncc3ccc(C(=O)O)cn23)=O	153
+CC(C)(C)OC(c1nc(-c2ccc3N(C)CCNc3c2)ccc1)=O	245
+CC(C)(C)OC(=O)c1ccccc1N2C(C3(CCN(CC3)CCCC(=O)c4ccccc4)N(c5ccccc5)C2)=O	183
+c1ccccc1N2CN(c3ccccc3C(O)=O)C(=O)C24CCN(CC4)CCCC(=O)c5ccccc5	153
+CC(C)(C)OC(=O)c1ccccc1N2C(=O)C3(CCNCC3)N(c4ccccc4)C2	62
+CC(C)(C)OC(c1nnn(CC(F)C#Cc2cc3cc(-c4c(cccc4)F)[nH]c3nn2)c1)=O	4147
+CC(C)(C)OC(c1cnc(NN)c(Cl)c1)=O	383
+C1CN(CCC1NC(=O)c2cnc(-c3cc(F)ccc3)cc2)c4ncc(C(=O)O)cc4	153
+c12c(N(CCN1C(Nc3sc4c(cccc4)n3)=O)C)ccc(-c5nc(ccc5)C(=O)O)c2	153
+c1cc(ccc1)COc2c(nc(CC3(CCCC3)c4ncccc4)nc2O)C(O)=O	153
+c1cc(ccc1[N+]([O-])=O)-n2c(C)c(C(O)=O)nc2-c3ccccc3Cl	153
+CC(C)(C)OC(c1nccc(Oc2ccc(N)c(c2)F)c1)=O	242
+CC(C)(C)OC(n1c2c(cc1-c3c(Cl)nc4ccccc4c3)cc(C=O)cc2)=O	39
+c1cc(ccc1C(=O)C)Oc2cc(-c3ccc(-c4nccs4)[nH]3)cc(c2)OC(COC)C	2817
+O=S(=O)(NC1CCCCC1)c2c(ccc(c2)-c3cc4cccc(Cl)c4[nH]3)Cl	535
+CC(C)(C)OC(n1c(-c2ccc(cc2)S(=O)(=O)Nc3ccc(cc3C(=O)c4ccncc4)Cl)ccc1)=O	3839
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(=O)OCC)Cl)CC#N	1689
+O=S(=O)(c1cc2c(cc(C)[nH]2)cc1)C	535
+FC(F)(c1ccc(F)cn1)c2nc(Nc3cc(n[nH]3)C)c4c(n2)cc(cc4)OC	921
+CC(C)(C)OC(=O)n1c2cccc(O)c2cc1C(OCC)=O	16
+C(C)OC(c1cc2c(cccc2[nH]1)OCc3c4ccc(cc4oc3)F)=O	535
+CC(C)(C)OC(=O)n1c2c(cc1C(OC)=O)cc(cc2[N+]([O-])=O)COC(=O)C	283
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(OC)=O)CN3C(=O)c4ccccc4C3=O)[N+]([O-])=O	1930
+c1ccccc1S(=O)(=O)Nc2cc(-c3[nH]c4c(cccc4)c3)ccc2Cl	535
+c1c(O)cccc1Nc2oc(-c3cc4ccccc4[nH]3)cn2	535
+c1cc(ccc1-c2[nH]c(cc2)C#N)NS(=O)(=O)CC	2817
+CC(C)(C)OC(n1c2ccccc2nc1-c3c(Cl)ccc(N4CC(CCC4)C(=O)OCC)c3)=O	79
+CC(C)(C)OC(n1c2c(cc(NC(=S)NCCN)c(C)c2nc1)F)=O	1167
+CC(C)(c1c2c([nH]c1)cccc2)C#N	535
+CC(C)(C)OC(n1c2ccccc2c(CC(C)N(S(=O)(=O)c3c(C)cc(cc3C)C)C)c1)=O	693
+c1ccccc1-c2c3c(ccc(c3)NS(=O)(=O)c4cc(F)ccc4)n[nH]2	922
+C1CC1Nc2nc(Nc3cc4c(cc3)c(C)[nH]n4)nc5c2occ5	922
+c12[nH]c3C(CCCc3c1c(c(Cl)cc2)Cl)=O	535
+CC(C)(C)OC(=O)n1c2ccc(-c3noc(-c4cc(c(cc4)OC(C)C)C#N)n3)cc2cc1	529
+CC(C)(C)OC(=O)n1c(-c2ccc(c(S(=O)(=O)NC3CCCCC3)c2)Cl)cc4cccc(Cl)c14	7387
+c12cc(ccc1nc[nH]2)Nc3nc(Br)cn4ccnc34	4148
+c1(n[nH]c2c(F)cccc12)OC	922
+c1c(c2[nH]ccc2cc1)CSC	535
+CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(nc4cc(c(cc34)OC(C)=O)OC)-c5cc(ccc5)[N+](=O)[O-])ccc12	73
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(-c4cccc([N+]([O-])=O)c4)nc5ccccc35)c2	73
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(nc4ccccc34)-c5cccc(c5)OC(C)=O)c2	73
+CC(C)(C)OC(n1cnc2c1cc(Br)cc2NCCC(F)(F)F)=O	839
+CC(C)(C)OC(n1c2cc([N+]([O-])=O)c(cc2c(-c3ccccc3)n1)C)=O	1196
+CC(C)Oc1ccc(cc1C#N)-c2nc(no2)-c3ccc4c(cc[nH]4)c3	535
+FC(F)Oc1cc2c([nH]nc2cc1)I	922
+C(C)N(CC)CCCCOc1cc2cc[nH]c2cc1	535
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)Oc3nc(Nc4cccc(N)c4)ncc3	0
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)Oc3nc(Nc4cccc(c4)[N+]([O-])=O)ncc3	55
+CC(C)(C)OC(=O)n1nc(c2c(N)ccc(Cl)c12)Cl	7388
+CC(C)(C)OC(=O)n1c2ccccc2cc1-c3oc(nc3)Cl	2138
+CC(C)(C)OC(=O)n1c(cc2ccccc12)-c3cnc(Nc4cc(ccc4)O)o3	4149
+O(CC)C(C=Cc1c2cc(-n3ncnc3)ncc2[nH]c1)=O	7389
+C(C1CC1c2ncc(OC)cc2)Oc3c(-c4c[nH]nc4)cnc(n3)C	921
+c1cc(ccc1)Oc2c(ccc3c2CCC(C)N3C(C4CC4)=O)-c5c[nH]nc5	921
+CC(C)(C)OC(=O)n1ncc(C=O)c1	576
+CC(C)(C)OC(=O)n1cc(CCCCCc2cn(nn2)CCNC(CCCCCCCCCCC)=O)nc1N	642
+CC(C)(C)OC(n1c(N)nc(c1)CCCCCc2cn(CCNC(c3ccccc3I)=O)nn2)=O	642
+CC(C)(C)OC(n1ccc2ccc(cc12)CO)=O	41
+CC(C)(C)OC(=O)n1c2c(cc1)cc(cc2)C(NO)=N	181
+CC(C)(C)OC(n1cnc2c(c(N)cc(F)c12)C)=O	0
+CC(C)(C)OC(=O)n1c2cc(Nc3ccccc3Cl)c(C)cc2c(n1)-c4ccccc4	230
+c1nc(ncc1)-c2c(Nc3c4c(c(cc3)Cl)n[nH]c4CCCN)c5c(o2)cncc5	922
+CC(C)(C)OC(=O)n1nc(c2cc(C3C(=C(C)NC(=C3C#N)C)C#N)ccc12)NS(=O)(=O)CCC	802
+C1(=C(C#N)C(C(=C(C)N1)C#N)c2ccc3n[nH]c(NS(=O)(=O)CCC)c3c2)C	922
+CC(C)(C)OC(n1c2ccc(N)cc2c(-c3ccccc3)n1)=O	0
+CC(C)(C)OC(n1nc(-c2ccccc2)c3ccc(cc13)N)=O	0
+CC(C)(C)OC(=O)n1nc(c2ccc([N+]([O-])=O)cc12)-c3ccccc3	1196
+CC(C)(C)OC(n1nc(C)c2ccc(cc12)N)=O	0
+CC(C)(C)OC(=O)n1ncc(CNc2cnc(C(C)C)cc2)c1	4150
+CC(C)(C)OC(=O)n1cc(cn1)CO	536
+CC(C)(C)OC(n1c2c(cn1)ccc(c2)N)=O	0
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(nc4ccccc34)-c5cccc(OCC(=O)NCCN(C)C)c5)c2	648
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(-c4cc(OCc5occn5)ccc4)nc6ccccc36)c2	4151
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(-c4cccc(OCc5nccn5C)c4)nc6ccccc36)c2	2818
+c12c(ccc(c1)Nc3nc(nc4c3cccc4)-c5cc(OCc6nccn6C)ccc5)n[nH]c2	922
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(nc4ccccc34)-c5cc(ccc5)N)c2	0
+CN(C)CCNC(=O)COc1cccc(c1)-c2nc3c(cccc3)c(Nc4cc5cn[nH]c5cc4)n2	922
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3c4ccccc4nc(-c5cccc(c5)O)n3)c2	173
+CC(C)(C)OC(=O)n1ncc2c1ccc(c2)N(C)c3nc(-c4cc(ccc4)OCC(=O)NC(C)C)ncc3	261
+CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(nc4cc(OC)c(O)cc34)-c5cc(ccc5)[N+](=O)[O-])ccc12	173
+C1CC1NC(c2cc(c(C)c(F)c2)-c3ccc4c(c[nH]n4)c3)=O	922
+CC(C)(C)OC(c1cn(nn1)CC(COCc2ccccc2)O)=O	2342
+CC(C)(C)OC(=O)c1c(nc(-c2ccccc2Cl)[nH]1)C	4152
+CC(C)(C)OC(C1=C(c2c(C(N1C)=O)cc(CNS(=O)(=O)N(C)C)cc2)c3ccc(c(C)c3)C)C(=O)OC	7390
+CC(C)(C)OC(C(=O)OC)c1c(-c2cc3CCCOc3cc2)sc(C)n1	836
+CC(C)(C)OC(C(OCC)=O)c1c(cc(-c2ccccc2)s1)Br	268
+CC(C)(C)OC(=O)C(NC(C(OCC)=O)CSCCCCCCC)C	7391
+CC(C)(C)OC(C(n1c(cc2c(c(C#N)ccc12)Cl)C(F)F)C)=O	3317
+CC(C)(C)OC(C(Oc1ccc(C#N)c(c1)F)C)=O	289
+O=S(=O)(c1cc(Cl)ccc1C(=O)CC(C2CC2)=O)C	4068
+CC(C)(C)OC(=O)C(CNS(=O)(=O)c1c([N+]([O-])=O)cccc1)C(=O)OC	71
+CC(C)(C)OC(C(C)(C)Cc1ccc(cc1)C=O)=O	146
+CC(C)(C)OC(=O)C(C)(C)Cc1ccc(cc1)CNCc2occc2	42
+CC(C)(C)OC(C(C)(C)Oc1cc(ccc1C(c2ccc(cc2)O)=O)OC)=O	16
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)C(OCC=2N(CCC)C(N(Cc3ccc(cc3)C)N=2)=O)=O)=O	47
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)C(=O)O)=O	1
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)CNCc2ocnc2C)=O	42
+CC(C)(C)OC(C(C)(C)Oc1cccc(CC(O)=O)c1)=O	2819
+CC(C)(C)OC(C(C)(C)Sc1scc(CCN)n1)=O	45
+c1cc(ccc1-c2ccc(OCCc3csc(n3)SC(C)(C)C(O)=O)c(c2)C(N4CCOCC4)=O)F	32
+CC(C)(C)OC(C(C)(C)Sc1scc(CC(O)=O)n1)=O	3
+c1cc(ccc1Br)CN(c2ncc(cn2)CC)CCc3nc(SC(C)(C)C(O)=O)sc3	32
+CC(C)(C)OC(C(C)(C)Sc1nc(CCOc2ccc(-c3ccc(cc3)F)cc2C(=O)O)cs1)=O	1
+CC(C)(C)OC(C(C)(C)Sc1scc(n1)CCO)=O	21
+CC(C)(C)OC(C(C)(C)Sc1scc(CCNc2ncc(cn2)CC)n1)=O	96
+CC(C)(C)OC(C(C)(C)Sc1nc(cs1)CCN(Cc2ccc(cc2)Br)c3ncc(cn3)CC)=O	7392
+CC(C)(C(OC)=O)Sc1nc(cs1)CCOc2ccc(cc2)I	7393
+CC(C)(C)OC(C(C)(C)Sc1scc(CCOc2ccc(cc2)I)n1)=O	20
+CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ccc(cc2)-c3ccc(cc3)[N+](=O)[O-])cs1	20
+CC(C)(C)OC(=O)C(C)N1C=CC(=CC1=O)c2c(ccc(Cl)c2)C#N	7394
+C1CCCCC1CCN(C(=O)NC(C(O)=O)C)CCSC(=O)C	32
+CC(C)(C)OC(C(C)NC(=O)N(CCSC(=O)C)CCC1CCCCC1)=O	2495
+CC(C)(C)OC(=O)C(CN)C1(CC(C)C)CCN(CCc2ccccc2)C1=O	18
+C1CCCC1C(c2ccc(cc2)CN3Cc4c(cc(F)c(F)c4)C3=O)C(=O)O	32
+CC(C)(C)OC(=O)c1c([nH]c(-c2c(cccc2)[N+](=O)[O-])c1)C	7395
+c1ccccc1CCC(CSC(=O)C)C(=O)NC(C(=O)O)CC(C)C	32
+CC(C)(C)OC(=O)C(C(=O)O)CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CCCC=C	4
+C1CCC(C1)C(CS(=O)(=O)N2CCC(CC2)Oc3c(Br)cc(cc3)F)C(O)=O	32
+CC(C)(C)OC(C(NC(C(N)C)=O)Cc1c[nH]c2c1cccc2)=O	334
+c1c2c([nH]cc2CC(C(=O)O)NC(=O)C(C)NC(c3ccnn3C)=O)ccc1	32
+NC(Cc1ccc(Br)nc1)C(=O)O	32
+CC(C)(C)OC(C(CC(C)C)NC(=O)C(CCc1ccccc1)CSC(=O)C)=O	188
+CC(C)(C)OC(C(NS(=O)(=O)c1ccc(cc1)-c2ccc(cc2)Cl)CCCN3C(=O)c4ccccc4C3=O)=O	592
+CC(C)C(N1Cc2c(cnc3[nH]cc(C1=O)c23)F)C(=O)O	32
+Clc1ccc(C#N)c(C=2C(Cl)=CN(C(C=2)=O)C(C(=O)O)CC3CCCCO3)c1	32
+CC(C)(C)OC(C(Cc1c[nH]c2c1cccc2)NC(=O)C(C)NC(c3n(ncc3)C)=O)=O	712
+CC(C)(C)OC(C(NC(OCc1ccccc1)=O)CNC(=O)c2ccc(cc2)CCC(NC=3NCCCN=3)=O)=O	7396
+c1cc(ccc1CCC(NC=2NCCCN=2)=O)C(=O)NCC(NC(OCc3ccccc3)=O)C(O)=O	32
+c1cc(ccc1S(=O)(=O)NC(CCCN2C(c3c(C2=O)cccc3)=O)C(=O)O)-c4ccc(cc4)Cl	32
+c1cc(ccc1)S(=O)(=O)NC(Cc2ccc(cc2)OCCCC(N=C3NCCCN3)=O)C(=O)O	32
+CC(C)(C)OC(C(NS(=O)(=O)c1ccccc1)Cc2ccc(cc2)OCCCC(N=C3NCCCN3)=O)=O	7397
+c1cc(ccc1N2C(C(C(O)C(=O)O)OCC2)=O)C	32
+CC(C)(C)OC(C(O)C1C(=O)N(c2ccc(cc2)C)CCO1)=O	883
+CC(C)(C)OC(C(OC)=O)c1c(nc2c(Br)c(-c3ccccc3)nn2c1-c4cc(c5c(CCCO5)c4C)F)C	4153
+CC(C)(C)OC(c1c(nc2n(nc(c2)N)c1-c3cc(c4c(CCCO4)c3C)F)C)C(O)=O	3
+CC(C)(C)OC(C(OCC)=O)c1c(-c2cc(c3c(CCCO3)c2C)F)n4nc(cc4nc1C)N	7398
+CC(C)(C)OC(c1sc(-c2ccccc2)cc1-c3ccc4OCCCc4c3)C(OCC)=O	1402
+CC(C)(C)OC(=O)C(Oc1cc(F)c(cc1)CNC(c2cccnc2Oc3cc4c(non4)cc3)=O)C	56
+CC(C)(C)OC(C(Oc1cc(c(CN)cc1)F)C)=O	107
+CC(C)(C)OC(C(CCCCl)=Cc1cc(c(-n2cc(nc2)C)cc1)OC)=O	1096
+C1CCCC1C(c2ccc(cc2)COC(C)=O)C(O)=O	32
+c1cc(ccc1C(C(=O)O)C)N2C(c3c(C2)ccc(Cl)c3)=O	32
+CC(C)(C)OC(=O)C(c1ccc(cc1)N)C	0
+FC(F)c1n(C(C(=O)O)C)c2ccc(c(Cl)c2c1)C#N	32
+CC(C)(C)OC(=O)CC(=O)CC(CCCC)C	7399
+CC(C)(C)OC(c1c(C)nc2cc(nn2c1Cl)-c3cc(Cl)ccc3)C(OC)=O	1040
+CC(C)(C)OC(C(=O)OCC)c1sc(cc1Br)Br	1040
+CC(C)(C)OC(C(=O)OC)c1nc(C)sc1	1040
+CC(C)(C)OC(C(=O)OC)c1c(C)nc2cc(-c3ccc4c(c3)CCCC4)nn2c1Cl	1040
+CC(C)(C)OC(CC(c1cc(ccc1)-n2cc(C)nc2C)=O)=O	2403
+CC(C)(C)OC(c1c(OCc2ccccc2)ccc3ccccc13)C(OCC)=O	1040
+CC(C)(C)OC(c1c(C)nc2[nH]c(C)c(C)c2c1-c3ccc(cc3)Cl)C(=O)OC	1040
+CC(C)(C)OC(c1c(C)cc2nc(Br)sc2c1-c3ccc(cc3)Cl)C(OCC)=O	1040
+CC(C)(C)OC(c1c(C)nc2n(nc(c2)-c3ccccc3)c1Cl)C(OC)=O	1040
+CC(C)(C)OC(=O)CC(=O)c1cccc(c1)-c2cc(no2)C	2403
+CC(C)(C)OC(C1COC(=O)N1c2nc(NC(C)c3sc(nc3)-c4ccc(cc4)Cl)ncc2)C	96
+CC(C)(C)OC(C)C1N(c2nc(nc(Cl)c2)NC(c3cc(on3)-c4ccc(cc4)Cl)C)C(=O)OC1	96
+OC(C1N(c2ccnc(F)n2)C(OC1)=O)C	1041
+FC(F)(F)c1cc2scc(N3CCN(CC3)CCC4(CC4)C(=O)O)c2cc1	32
+CC(C)(C)OC(=O)C1(CC1)Cc2cccc(c2Cl)N	196
+CC(C)(C)OC(C1(CC1)Cc2cc(NC(=O)C(C3CCCC3)c4ccc(cc4)C=C)ccc2)=O	443
+CC(C)(C)OC(=O)C1(CC1)Cc2ccc(c(c2)N)F	1197
+CC(C)(C)OC(C1(CC1)Cc2cc(N)ccc2)=O	1197
+C1CCCC1C(c2ccc(cc2)Cl)C(=O)Nc3cc(ccc3)CC4(CC4)C(=O)O	32
+CC(C)(C)OC(C1(CC1)Cc2cc(NC(=O)C(C3CCCC3)c4ccc(cc4)C=O)ccc2)=O	39
+CC(C)(C)OC(C1(CC1)Cc2cc(ccc2)NC(=O)C(c3ccc(cc3)CO)C4CCCC4)=O	59
+FC(F)(F)C(C)C(C(Nc1c(ccc(CC2(CC2)C(=O)OC(C)(C)C)c1)F)=O)N	334
+CC(C)(C)OC(C1(CCOCC1)CN2CCC(CC2)CN)=O	51
+CC(C)(C)OC(C(OC)=O)C=1N(C)C(c2c(cc[nH]2)C=1c3ccc(cc3)C)=O	167
+CC(C)(C)OC(C(=O)OC)C1=C(c2ccc(cc2C(=O)N1C)CN)c3ccc(c(C)c3)C	107
+CC(C)(C)OC(C1=C(c2cc(C)c(cc2)C)c3c(cc(C#N)cc3)C(N1C)=O)C(=O)OC	160
+CC(C)(C)OC(C=1N(C)C(=O)c2n(ccc2C=1c3ccc(cc3)C)Cc4ccc5c(non5)c4)C(=O)O	4
+CC(C)(C)OC(=O)C1CC2(CC2)CNC1C(=O)Nc3ccc(cc3)OCc4c5c(nc(c4)C)cccc5	33
+CC(C)(C)OC(C1CC(CC1CC)CO)=O	95
+CC(C)(C)OC(=O)C1CC(CN)CC1CC	4154
+CC(C)(C)OC(C1CCCC1N(S(=O)(=O)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4)C)=O	693
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)NC(C4N(CC5(CC5)CC4C(=O)O)C)=O	32
+c1ccc(C2C(C(=O)O)C2)cc1C(=O)OC	32
+CC(C)(C)OC(C1C(CC)CC(COS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(=O)C1N(C(CNC(Nc2cc(C(C)C(=O)OCc3ccccc3)ccc2)=O)=O)C(CC1)c4ccccc4	1631
+O=S(=O)(N(C1CCCC1C(O)=O)C)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4	32
+CC(C)(C)OC(C1CCCN2N1C(C(N)CCC2=O)=O)=O	1955
+CC(C)(C)OC(C1N2N(CCC1)C(CCC(NC(OCc3ccccc3)=O)C2=O)=O)=O	1403
+C1CN(CCC1C(=O)O)c2c(cncc2F)NC(c3c4n(cc(F)cn4)nc3N)=O	32
+CC(C)(C)OC(C1C(=O)N(CC)c2cc(OC)ccc2CC1)=O	727
+CC(C)(C)OC(=O)C1C(CN(C(OC(C)(C)C)=O)C1)C=O	378
+CC(C)(C)OC(C1CN(CC)C(=O)N1)=O	7400
+c1ccccc1C2(CCCCC2)CCc3onc(-c4ccc(cc4)CN5CC(C5)C(O)=O)n3	32
+CC(C)(C)OC(C)C1N(c2cc(Cl)nc(Cl)n2)C(=O)OC1	7401
+c1cc(ccc1-c2sc(cn2)C(Nc3nc(N4C(COC4=O)C(O)C)ccn3)C)Cl	1041
+CC(C)(C)OC(C1CCC(c2ccccc2)N1C(=O)CN)=O	84
+CC(C)(C)OC(=O)N1CC(N)CC1C(OC(C)(C)C)=O	18
+C1C(C(=O)O)N(c2ccc(C)c(c2C)COc3cccc4ccc(C)nc34)CC1	32
+CC(C)(C)OC(N1C(C(N=[N+]=[N-])CC1)C(=O)O)=O	32
+c1ccccc1COC(NC2CCC(=O)N3N(C2=O)C(CCC3)C(O)=O)=O	32
+N(C1C(N2C(C(=O)O)=C(CBr)CS(=O)C12)=O)C=O	628
+CC(C)(C)OC(=O)CC1CCC(CC1)C(OCC)=O	774
+C1CCCCC(C1)=C(c2ccc(cc2)O)c3ccc(cc3)C=CC(=O)O	628
+C1CC(CCCC1)=C(c2ccccc2)c3ccc(cc3)C=CC(=O)O	628
+CC(C)(C)OC(=O)C=Cc1ccc(cc1)C=CC(=O)c2cc(c(F)cc2)F	307
+O=Cc1ccc(C=CC(=O)O)nc1	628
+CC(C)(C)OC(CCc1ccncc1)=O	159
+c1ccccc1CS(=O)(=O)n2cc(C=CC(=O)O)cc2	628
+CC(C)CC(C(NC1C(=O)NCCCCCCn2cc(c3c2cccc3)C1)=O)CC(O)=O	32
+CC(C)(C)OC(CC(CC(C)C)C(NC(C(=O)NC)CCc1ccccc1)=O)=O	207
+CC(C)(C)OC(CC(NC(C(C)N1C=CC=CC1=O)=O)C(CF)=O)=O	86
+CC(C)(C)OC(CC(C(=O)O)CC(C)C)=O	4
+c1ccccc1COC(C(Cc2ccccc2)CC(=O)O)=O	32
+CC(C)CC(CC(O)=O)C(NC(CCc1ccccc1)C(=O)NC)=O	32
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2nc(no2)Cc3ccncc3)=O	4155
+c1cnccc1Cc2nc(on2)C(CC(=O)O)CCCC3CCCCC3	32
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2onc(n2)CN(CC(=O)NC)C)=O	9
+CC(C)(C)OC(=O)CC(C(=O)O)CCCC1CCCCC1	2820
+CC(C)(C)OC(=O)CC(COS(=O)(=O)c1ccc(cc1)C)Nc2ccc(C#N)c(Cl)c2	36
+CC(C)(C)OC(CC(N)COCOC)=O	102
+CC(C)(C)OC(=O)CC(C(O)=O)Nc1ccc(C#N)c(c1)Cl	945
+CC(C)(C)OC(CC(NC(c1nn(CC(C)C)c(c1)-c2c(cccc2OC)OC)=O)CC(C)C)=O	81
+O=C(O)CC(c1cccc(F)c1)N	32
+CC(C)(C)OC(=O)CC(N)C(NC)=O	2139
+O=C1N(C(C(=O)NC(C(=O)CF)CC(=O)O)C)C=CC=C1	32
+CC(C)(C)OC(CC(NC(=O)OCC1c2c(-c3ccccc13)cccc2)C(NC)=O)=O	9
+c1(cccc(OC)c1-c2n(CC(C)C)nc(C(NC(CC(C)C)CC(=O)O)=O)c2)OC	32
+O=S(=O)(NC(C=O)CC(O)=O)c1c(OCCc2cccc3ccccc23)cc(NC(=O)C)cc1	32
+CC(C)(C)OC(CC(Nc1cc(Cl)c(cc1)C#N)CNCC)=O	1385
+CC(C)(C)OC(CC(Nc1cc(Cl)c(C#N)cc1)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC)=O	2821
+CC(C)(C)OC(=O)CC(CN(S(=O)(=O)c1c([N+]([O-])=O)cccc1)C)Nc2cc(Cl)c(C#N)cc2	693
+CC(C)(C)Cc1onc(c1)-c2onc(C(CC(=O)O)CCCOCc3ccccc3)c2C4CC4	32
+c1cc(ccc1NC(Cc2ccc(c(c2)OC)NC(N3c4ccccc4CC3)=O)=O)C(CC(O)=O)C	32
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(=O)CC(=O)c3cc(-n4ccnc4SCOC)ccc3)=O	496
+CC(C)(C)OC(=O)CC(Nc1c(cccc1)[N+]([O-])=O)c2ccccc2	60
+CC(C)(C)OC(=O)CC(c1onc(CO)n1)CCCC2CCCCC2	7402
+CC(C)(C)OC(CC(c1onc(n1)C(=O)N2CC(C2)N(C)C)CCCC3CCCCC3)=O	2661
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2nc(no2)C(=O)NC)=O	1506
+C1CN(CCC1)C(c2noc(C(CCCC3CCCCC3)CC(=O)O)n2)=O	32
+c1ccccc1COCCCC(CC(=O)O)c2c(c(-c3cnc(s3)CC(C)C)on2)C4CC4	32
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2nc(CN(CCOC)CCOC)no2)=O	3519
+C1CC(CCC1)CCCC(c2onc(n2)C(=O)N3CC(C3)N(C)C)CC(=O)O	32
+C1CC(CCC1)CCCC(c2onc(n2)C(N3CC(C3)C(OC)=O)=O)CC(=O)O	32
+c1cc(ccc1)C(n2cnc3ccccc23)CC(=O)O	32
+C(CC1(CC2c3ccccc3C1CC2)O)O	2764
+O=S(=O)(N1C(C(NC=C1)=O)CC(=O)O)c2ccc(cc2)C	32
+CC(C)(C)OC(CC1c2n(c3ccc(cc3c2)OCc4ccc(OC(C)C)c(C#N)c4)CC1)=O	139
+CC(C)(C)OC(CC1c2n(c3ccc(OCc4cc(C(F)(F)F)c(CC5CCCCC5)cc4)cc3c2)CC1)=O	139
+FC(F)(F)c1cc(COc2cc3c(n4c(C(CC4)CC(O)=O)c3)cc2)ccc1CC5CCCCC5	32
+CC(C)Oc1ccc(COc2cc3c(n4c(C(CC4)CC(O)=O)c3)cc2)cc1C#N	32
+CC(C)(C)OC(=O)CCC(Nc1ncc(c(O)n1)C(NCc2ccc(cc2Cl)Cl)=O)=O	2004
+CC(C)(C)OC(=O)CCC(=O)Nc1c(C(N)=O)cccn1	142
+CC(C)(C)OC(=O)CCC(=O)NC(Cc1ccc(cc1)Br)CC(=O)OCC	9
+CC(C)(C)OC(=O)CCC(C(=O)N1CCN(CC1)C(=O)OC2CCC2)N	334
+CC(C)(C)OC(=O)CCC(c1ccc(cc1)Oc2ccc(c(c2)CC)OC)=O	46
+FC1(F)C(C(C2C(C)OC(C2(CCC(=O)O)C1)=O)C=Cc3ncc(Br)cc3)C	32
+CC(C)(C)OC(=O)CCCCOc1cnc(nc1)Cl	2448
+c1cc(ccc1)COC(=O)NC(c2oc(cn2)-c3cc4c(cccc4)nc3OC)CCCCCC(=O)O	32
+CC(C)(C)OC(=O)CCCCCOc1ccccc1	116
+O=C(CCCCNC(NCCCCC1C2C(NC(N2)=O)CS1)=O)O	32
+CC(C)(C)OC(CCCOc1c(cccc1)C(OCC)=O)=O	72
+CC(C)(C)OC(=O)CCCOc1cccc(C)c1N(C(c2cc(c(cc2)Cl)Br)=O)C	816
+CCOC(=O)c1c(OCCCC(=O)O)cccc1	32
+c1ccccc1COC(N(CCc2cccc(F)c2)CCC(=O)O)=O	32
+CC(C)(C)OC(=O)CCN1CC(c2ccc(cc2)Oc3ccccc3Cl)S(=O)CC1	7403
+CC(C)(C)OC(CCN1CCC(CC1)CNC2CC2c3scc(C(=O)Nc4sc(nn4)C)c3)=O	318
+C(NC(c1sc(cc1)Cl)=O)CC(=O)O	32
+CC(C)(C)OC(CCN(C(=O)OCc1ccccc1)CCc2cccc(F)c2)=O	66
+CC(C)(C)OC(CCNS(=O)(=O)c1cc2c(ncc(Cl)c2cc1)N=C(N)N)=O	4156
+CC(C)(C)OC(CCNS(=O)(=O)c1cccc(c1)C(O)=O)=O	1
+c1ccc2C(=O)N(C(c2c1)=O)CCOCCOCCOCCC(O)=O	32
+C1CN(CCO1)CCOCCOCCOCCC(O)=O	32
+CC(C)(C)OC(CCOCCOCCOCCOS(=O)(=O)c1ccc(cc1)C)=O	36
+C(C(=O)O)COCCOCCOCCOCC=CCBr	32
+CC(C)(C)OC(CCOCCOCCOCCN1C(c2c(C1=O)cccc2)=O)=O	2140
+C(COCCc1ccc2c(ccs2)c1)C(=O)O	32
+CC(C)(C)OC(=O)CCSCc1cc(ccc1)C(Nc2ccc(cc2C(Nc3nn(cc3)-c4cc(c(cc4)C)C)=O)Cl)=O	50
+c1(CCC(=O)O)[nH]c(C(=O)OC)cc1	32
+CC(C)(C)OC(CCc1c(cc(cc1C)C(=O)N)CC)=O	2822
+CC(C)(C)OC(CCc1c(CC)cc(cc1C)C(=NO)N)=O	253
+CC(C)(C)OC(CCc1c(cc(cc1C)C#N)CC)=O	274
+CC(C)(C)OC(CCc1cc(Cl)c(c(c1)Cl)-c2nc3c([nH]2)ccc(-c4nnc(-c5ccc(cc5)Cl)o4)c3)=O	7404
+c1(cc(cc(Cl)c1-c2nc3c([nH]2)ccc(-c4nnc(-c5ccc(cc5)Cl)o4)c3)CCC(O)=O)Cl	32
+CC(C)(C)OC(CCc1nc(cc(S(=O)(=O)C)c1)C2=NC(c3ccc(Cl)cc3S2)=O)=O	2767
+C(c1ccc(cc1C)C(=O)OC)CC(=O)O	32
+CC(C)(C)OC(=O)CCc1cccc(C=2Sc3c(C(N=2)=O)ccc(c3)OC)n1	2416
+CC(C)(C)OC(=O)CCc1cccc(C=2Sc3c(C(=O)N=2)ccc(c3)C)n1	2416
+C1(c2cc(CCC(=O)O)ccn2)=NC(c3ccc(F)cc3S1)=O	32
+c1(ccnc(c1)C=2Sc3c(cccc3)C(N=2)=O)CCC(=O)O	32
+CC(C)(C)OC(=O)CCc1ccnc(C#N)c1	7405
+O=S(=O)(c1cc(C2=NC(c3ccc(Cl)cc3S2)=O)nc(c1)CCC(=O)O)C	32
+CC(C)(C)OC(=O)CN(CC(O)=O)CC	210
+c1cc(ccc1OCC#Cc2ccc(cc2)Cl)S(=O)(=O)N(CC(=O)O)C	32
+C[Si](C)(C)C#Cc1cc(cc(Cl)c1)S(=O)(=O)N(CC(OC(C)(C)C)=O)c2ccc3c(c4ccccc4n3CC)c2	2823
+CC(C)(C)OC(CN1C(=O)C(=CC=C1C)NS(=O)(=O)Cc2ccccc2)=O	7406
+CC(C)(C)OC(CN1C(=CC=C(N)C1=O)C)=O	1849
+c1ccccc1CS(=O)(=O)NC2=CC=C(N(CC(O)=O)C2=O)C	32
+c1cc(ccc1)C2C(C(N(CC(O)=O)c3c(cccc3)S2)=O)NC(=O)c4[nH]c5c(cccc5)c4	32
+CC(C)(C)OC(=O)CN1CC(c2ccco2)SCC(NC(CCc3ccccc3)C(=O)OCC)C1=O	7407
+Clc1ccc(c(C2=CC(=O)N(CC(=O)O)C=3CCC(=O)C2=3)c1)Br	32
+C(=O)(O)CN1C(=O)N(CC1)c2ncccc2	32
+c12c(cccc1)N(c3ccncn3)C(=O)N2CC(=O)O	32
+CC(C)(C)OC(CN1C(N(c2cc(ncn2)Cl)c3ccccc13)=O)=O	7408
+CC(C)(C)OC(CN1c2ccccc2N(c3ccccn3)C1=O)=O	7409
+CC(C)(C)OC(C(N1C=C(Cl)C(c2cc(Cl)ccc2C#N)=CC1=O)CC3CCCCO3)=O	7410
+C(c1cc(C)c(CNC(N2CC(=O)N(c3cccc(F)c23)CC(O)=O)=O)cc1)(N4c5c(cccc5)CCCC4)=O	32
+CC(C)(C)OC(CN1C(=O)N(c2c1cccc2)c3ncncc3)=O	511
+c1ccccc1COC(=O)NC2=CC=CN(CC(=O)O)C2=O	32
+C1CC(CCN1CC(=O)O)n2c3c(c(N)ncn3)c(n2)-c4ccc(cc4)Oc5ccccc5	32
+c12c(N(C(=O)N1CC(=O)O)c3ccccn3)cccc2	32
+c1cc(ccc1OCCc2c(F)cccc2)C(=O)NCC(O)=O	32
+CC(C)(C)OC(CNC(C=1C(C(C)(C)c2c(F)c(ccc2C=1O)OCC(C)C)=O)=O)=O	8
+CC1(C)c2c(F)c(ccc2C(=C(C(=O)NCC(=O)O)C1=O)O)OCC(C)C	32
+CC(C)(C)OC(CN(S(=O)(=O)c1ccc(cc1)OCC#Cc2ccc(cc2)Cl)C)=O	1387
+CC(C)(C)OC(CN(Cc1c(cccc1)C)S(=O)(=O)c2cc3c(cc2)c(cnc3Cl)Cl)=O	1387
+CC(C)(C)OC(Cn1c2c(nc1CCC)cc(NS(=O)(=O)c3ccc(cc3)F)cc2)=O	4132
+c1(NCC(=O)O)ncc(C=O)s1	32
+CC(C)(C)C(COc1ncnc2oc(c(-c3ccc(cc3)CC)c12)-c4ccccc4)COCC(O)=O	32
+CC(C)(C)OC(=O)COCCCCO	168
+CC(C)(C)c1ccc(cc1)C=2N(C)N(C(C=2C(N(C)CCOCC(OCC)=O)=O)=O)c3ccc(cc3)C#N	7411
+C1CC1N(CCOCC(=O)O)S(=O)(=O)c2c(C)cc(cc2C)OC	32
+CC(C)(C)OC(=O)COCCOCCOCCOS(=O)(=O)c1ccc(cc1)C	36
+CC(C)(C)OC(COCCOCCOCCOCCN)=O	18
+CC(C)(C)OC(COCCOCCOCCOCCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(COCCOCCOCCOCCN=[N+]=[N-])=O	133
+CC(C)(C)OC(COCCOCCOCCO)=O	118
+CC(C)(C)OC(COCCOc1cc2c(-c3ccc(cc3)C)c(CN)c(CC(C)C)nc2cc1)=O	388
+C1CCCCN1S(=O)(=O)c2ccc(Cl)c(c2)COCC(O)=O	32
+c1cc(ccc1COCC(=O)O)Oc2ccc(cc2)C(=O)OC	32
+CC(C)(C)OC(c1oc2c(c(ccc2)O)c1C)=O	7412
+CC(C)(C)OC(COc1ccc(cc1CO)Cl)=O	41
+CC(C)(C)OC(COc1c(cc(cc1Cl)N)Cl)=O	0
+c1c(OCC(=O)O)c(cc(C=CC(OC)=O)c1)OC	32
+CC(C)(C)OC(COc1ccc(CN(S(=O)(=O)c2ccc(cc2)F)C)cc1-c3ccc(c(S(=O)(=O)C)c3)F)=O	92
+CC(C)(C)OC(=O)COc1ccc(cc1C#C[Si](C)(C)C)Cl	263
+CC(C)(C)OC(COc1c2CCCC(NS(=O)(=O)c3cc(Cl)c(F)cc3)c2ccc1)=O	71
+CC(C)(C)OC(COc1c2c(C(CCC2)NS(=O)(=O)c3ccc(cc3)-c4ccccc4)ccc1)=O	71
+CC(C)(C)OC(COc1c2c(ccc1)C(CCC2)NS(=O)(=O)c3cc(Br)c(nc3)Cl)=O	1362
+CC(C)(C)OC(COc1c2CCCC(NS(=O)(=O)c3cc(Cl)c(cc3)Oc4ccc(cc4)Cl)c2ccc1)=O	46
+O=S(=O)(c1cc(Cl)c(cc1)Oc2ccc(cc2)Cl)NC3CCCc4c3cccc4OCC(O)=O	32
+CC(C)(C)OC(COc1cccc2C(CCCCc12)N)=O	474
+c1cc(ccc1S(=O)(=O)NC2CCCCc3c(OCC(=O)O)cccc23)-c4cccc(c4)C(C)C	32
+CC(C)(C)OC(COc1c2c(ccc1)C(CCC2)NS(=O)(=O)c3cc(Br)c(nc3)Oc4c(cc(F)cc4)Cl)=O	136
+CC(C)(C)OC(COc1c2CCCCC(NS(=O)(=O)c3ccc(cc3)-c4cccc(c4)C(C)C)c2ccc1)=O	134
+CC(C)(C)OC(=O)COc1c2c(ncc(N)c2)sc1C(OC)=O	13
+CC(C)(C)OC(=O)COc1cc(C(=O)O)ccc1Cl	1
+CC(C)(C)OC(COc1c(cc(CNC)cc1)-c2cc(c(F)cc2)S(=O)(=O)C)=O	42
+CC(C)(C)OC(COc1ccc(CNC)cc1-c2cc(cc(F)c2)C#N)=O	42
+c1cc(ccc1S(=O)(=O)N(Cc2cc(-c3ccc(c(S(=O)(=O)C)c3)F)c(OCC(=O)O)cc2)C)F	32
+CC(C)(C)OC(COc1ccc(cc1-c2cc(F)cc(C#N)c2)CN(S(=O)(=O)c3ccc(cc3)F)C)=O	92
+CC(C)(C)OC(=O)COc1c(cc(Cl)cc1)C#Cc2ccc3c(S(=O)(=O)C(C)(C)C3O)c2	455
+CC(C)(C)OC(COc1c(C#Cc2cc(S(=O)(=O)C)ccc2O)cc(Cl)cc1)=O	129
+CC(C)(C)OC(COc1c(C#Cc2c(ccc(S(=O)(=O)N)c2)C)cc(Cl)cc1)=O	455
+CC(C)(C)OC(COc1ccc(cc1)CN)=O	817
+CC(C)(C)OC(COc1ccc(cc1)C=NO)=O	135
+c1cc(ccc1)COC(CCc2ccc(cc2)OCC(O)=O)=O	32
+CC(C)(C)OC(COc1ccc(cc1)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(COc1ccc(cc1)CCOc2c(cccc2)C(OC)=O)=O	262
+c1cc(ccc1OCC(=O)O)CCOc2c(cccc2)C(OC)=O	32
+c1cc(ccc1OCC(=O)O)CCSc2c(cccc2)C(OC)=O	32
+CC(C)(C)OC(=O)COc1ccc(cc1)CNC(c2ncnc(c2)C(=O)NCc3ccc(c(C)c3)F)=O	81
+CC(C)(C)OC(COc1ccc(cc1)OCCOCCOCCOCCCCCCCCCCCSC(=O)C)=O	4157
+c1cc(ccc1OCC(O)=O)OCCOCCOCCOCCCCCCCCCCCSC(=O)C	32
+CC(C)(C)OC(COc1ccc(C=O)cc1-c2cc(cc(C#N)c2)F)=O	99
+CC(C)(C)OC(COc1ccc(cc1Br)CNC)=O	42
+CC(C)(C)OC(COc1ccc(cc1Br)CN(S(=O)(=O)c2cc(Cl)c(cc2)F)C)=O	92
+CC(C)(C)OC(COc1ccc(cc1COS(=O)(=O)C)Cl)=O	7
+CC(C)(C)OC(COc1ccc(cc1)CCC(=O)OCc2ccccc2)=O	992
+CC(C)(C)OC(=O)COc1c(c(C=O)ccc1)C	39
+CC(C)(C)OC(COc1c2c(ccc1)C(NS(=O)(=O)c3ccc(cc3)I)CCCC2)=O	71
+CC(C)(C)OC(COc1c2CCCC(N)c2ccc1)=O	474
+CC(C)c1c(c(no1)C(C)C)CC(=O)O	32
+Fc1cc(cc(F)c1CC(O)=O)OCCC2C(C3CCN(CC3)c4ncc(cn4)OCC)C2	32
+c1c(F)c(c(cc1CC(O)=O)F)[N+](=O)[O-]	32
+CC(C)(C)OC(=O)Cc1ccc(Oc2ccc(cc2)C(Nc3ccc(c(Cl)c3)Cl)=O)c(CNS(=O)(=O)C)c1	67
+CC(C)(C)OC(Cc1cc(c(cc1)Oc2ccc(cc2)C(=O)O)CNS(=O)(=O)C)=O	1
+N#Cc1cc(F)c(cc1F)CC(O)=O	32
+CC(C)(C)OC(=O)C(c1cc2c(cc1)ncc(OC)c2)C	643
+c1ccccc1COc2cc(c(CC(=O)O)cc2)C#N	32
+CC(C)(C)OC(Cc1cc(c(cc1)Oc2ccc(cc2)C(=O)OC)CNS(=O)(=O)C)=O	111
+CC(C)(C)OC(Cc1cc2c(ncc(OC)c2)cc1)=O	2824
+c1(c(Cl)ncc(CC(=O)O)c1)C	32
+CC(C)(C)OC(Cn1c2c(cc(cc2)NCc3ccccc3)nc1CCC)=O	208
+CC(C)C(=O)N(Cc1ccccc1)c2ccc3c(nc(n3CC(=O)O)CCC)c2	32
+OC(Cn1nc(C(N)=O)c2ccccc12)=O	32
+CC(C)(C)OC(Cn1c(CCC)nc2cc(N(C(=O)C(C)C)Cc3ccccc3)ccc12)=O	192
+CC(C)(C)OC(Cn1c2ccc(cc2nc1CCC)N(CCCc3ccccc3)S(=O)(=O)c4ccc(cc4)F)=O	1233
+C1CCCCC1c2c3c(cc(cc3)C(OC)=O)n(CC(O)=O)c2Br	32
+c1cc(ccc1S(=O)(=O)N(c2cc3c(cc2)n(CC(=O)O)c(CCC)n3)CCCc4ccccc4)F	32
+C(Cn1c2ccc(O)cc2c(C(=O)C)c1)(=O)O	32
+CC(C)(C)OC(=O)Cn1nc(c2cc(Nc3cccnn3)ccc12)C(=O)N	781
+C(C)OC(c1cnn(c1)CC(=O)O)=O	32
+Oc1nc2c(c3ccsc13)cc(c(F)c2F)OC	7413
+CC(C)(C)OC(N(C)C(C(=NO)N)CCCC(O)C)=O	609
+CC(C)(C)OC(N(C(CO)CC=C)CC=C)=O	95
+c1cc(ccc1C#N)Nc2nc(c(C#CCCCNC(=O)C(C)NC)cn2)NCCC	255
+CC(C)(C)OC(N(C)C(C(=O)N(C(CNS(=O)(=O)C)Cc1ccccc1)C)Cc2ccc3c(cccc3)c2)=O	10
+CC(C)(C)OC(=O)N(C(C(Nc1ccc(OC)c(NS(=O)(=O)c2ccc(-c3ccc(C)o3)cc2Cl)c1)=O)C)C	33
+CC(C)(C)OC(N(C(C(NCCCC#Cc1c(nc(nc1)Nc2ccc(cc2)C#N)NCCC)=O)C)C)=O	9
+CC(C)(C)OC(=O)N(C(C)C(Nc1nc(C#Cc2ccccc2)c(NC(C3CCOCC3)=O)cc1)=O)C	142
+C(C(C)NC)C=Cc1ccc2c(OCO2)c1	2
+CC(C)(C)OC(N(C)C(CN)CC1COCCC1)=O	51
+c1ccccc1C(CCN2c3c(N(c4ccccc4F)S2(=O)=O)cccc3)NC	2
+CC(C)(C)OC(=O)N(C)C(Cc1ccccc1)CN	273
+CC(C)(C)OC(=O)N(CC=C)C(COC(=O)c1ccc(cc1)[N+](=O)[O-])CC=C	279
+CC(C)(C)OC(=O)N(C(CCNC(=O)c1ccccn1)Cc2ccccc2)C	2406
+CC(C)(C)OC(=O)N(C)C(CCOCC)c1ccc(cc1)OCc2ccccc2	21
+c1cc(ccc1)CC(CNS(=O)(=O)C)N(C(=O)C(NC)Cc2cc3c(cccc3)cc2)C	255
+O=S(=O)(N(C)CC(NC)Cc1cccs1)C	2
+CC(C)(C)OC(=O)N(C)C(CNC(=O)c1cccc(C(OCCNC(OC)=O)c2cc(Cl)ccc2)c1)CC3CCCOC3	14
+c1cc(ccc1)CC(CNS(=O)(=O)C)NC	2
+CC(C)(C)OC(N(C)C(Cc1sccc1)CNC)=O	1130
+CC(C)(C)OC(N(C(CNCc1ccccc1)Cc2ccccc2)C)=O	1130
+CC(C)(C)OC(N(C)C(CN(S(=O)(=O)C)C)Cc1cccs1)=O	112
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)NC)=O)O	2
+CC(C)(C)OC(N(C1CCC(c2ccc(c(Cl)c2)Cl)c3ccc(cc13)C(=O)O)C)=O	1
+CC(C)(C)OC(N(C)C1CCC(c2ccc(cc12)C#CCCCOC)c3ccc(c(Cl)c3)Cl)=O	76
+CC(C)(C)OC(N(C1C(O)C(CCC1)Nc2c(cnc(Cl)n2)-c3cn(C)nc3)C)=O	2420
+FC(F)(F)c1ccc(N2CCCC(N(C)C(OC(C)(C)C)=O)C2)c(NC(c3cc(ccc3F)I)=O)c1	50
+CC(C)(C)OC(=O)N(CC(CN(C(OC(C)(C)C)=O)C)Oc1cc(cc(c1)[N+]([O-])=O)F)C	57
+CC(C)(C)OC(=O)N(CC1(c2ccccc2)C(CO)C1)C	118
+C1CN(CCC1CCNC)C(OCc2cc(Cl)cc(Cl)c2)=O	2
+CC(C)(C)OC(=O)N(CCCc1cc2cc(ccc2[nH]1)C(Nc3ccc(c(OC)c3)OC)=O)C	2112
+CNCCCCCC(OC)=O	2
+CC(C)(C)OC(N(CCN1c2c(ccc(c2)N=C(c3cccs3)N)SCC1)C)=O	7414
+CC(C)(C)OC(=O)N(C)CCOc1cccc2n(ccc12)S(=O)(=O)c3c(F)cccc3	1520
+CC(C)(C)OC(=O)N(C)CCON=C(c1[nH]c2c(c1)ccnc2)c3ccccc3	4158
+CC(C)(C)OC(N(C)Cc1cn(S(=O)(=O)c2cnccc2)c(c1)Br)=O	1690
+CC(C)(C)OC(N(C)Cc1cn(S(=O)(=O)c2cnccc2)c(c1)-c3cc(C#N)ccc3F)=O	1072
+CC(C)(C)OC(N(Cc1cn(S(=O)(=O)c2cnccc2)c(-c3cccc(C=O)c3F)c1)C)=O	1072
+CC(C)(C)OC(N(C)Cc1cc([nH]c1)Br)=O	4159
+CC(C)(C)OC(=O)N(c1c(ccc(SC)c1)N)C	0
+O(c1nc(ncc1NC)SC)c2c(cccc2)C	7415
+CC(C)(C)OC(=O)N(c1cc(c(OC(C)=O)c(c1C)C)C)C	385
+CC(C)(C)OC(N(C)c1c(ccc(SC)c1)[N+](=O)[O-])=O	972
+CC(C)(C)OC(N(C1C(O)CNCC1)Cc2cc3c(OCCO3)cn2)=O	62
+CC(C)(C)OC(N(C1C(CNC1)c2ccc(Cl)c(Cl)c2)C)=O	25
+CC(C)(C)OC(N(Cc1c(F)cc(cc1)F)C2CN(Cc3ccccc3)C(C(=O)N4CCN(CC4)c5ccc(cc5)C(C)=O)C2)=O	10
+CC(C)(C)OC(N(C1CC(N(Cc2ccccc2)C1)C(=O)O)Cc3c(F)cc(cc3)F)=O	4
+CC(C)(C)OC(N(Cc1cc(CCN)ccc1Cl)C2CC2)=O	18
+CC(C)(C)OC(N(C1CC1)Cc2cc(CCN=[N+]=[N-])ccc2Cl)=O	254
+CC(C)(C)OC(N(C1CC1)c2n3ncc(C=O)c3nc(c2)-c4ccnc(F)c4)=O	7416
+CC(C)(C)OC(=O)N(C1CC1)c2n3c(nc(c2)SCc4ccccc4)c(cn3)C=O	3767
+C1CC1Nc2n3ncc(c3nc(-c4ccnc(F)c4)c2)C=O	2776
+CC(C)(C)OC(=O)N(C1CCC(CC1)C=O)C	378
+C1CC(CCC1NC)N2CCCC2	2
+CC(C)(C)OC(N(C1CCCC(N)C1O)C)=O	102
+CC(C)(C)OC(N(C)C1CCCC(Nc2c(Br)cnc(Cl)n2)C1O)=O	40
+CC(C)(C)OC(=O)NCCN(C(OC(C)(C)C)=O)C1CCNCC1	62
+CC(C)(C)OC(N(C1CCNCC1)CCP(OCC)(OCC)=O)=O	25
+c1cc(ccc1F)-c2c(c(c(nn2)N3CCC(CC3)NC)C)C	2
+CC(C)(C)OC(N(C1CCN(CC1)c2nnc(c(C)c2C)-c3ccc(cc3)F)C)=O	519
+CC(C)(C)OC(N(C1CCN(C1)c2c3c4cc(ncc4n(c3ncc2Cl)COCC[Si](C)(C)C)C#N)CC)=O	395
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2c3cccc(c3C=CC2=O)OC)Cc4cc5OCCOc5cc4	61
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2C(=O)C=Cc3c([N+](=O)[O-])cccc23)Cc4cc5OCCOc5cc4	61
+CC(C)(C)OC(=O)N(C1CN(C1)c2nc3c(cc([N+]([O-])=O)cn3)n4cnnc24)C	2825
+c1cc(ccc1OC)CN2CCC(C2)Nc3ccc(cn3)C=CC(=O)OCC	2776
+CC(C)(C)OC(=O)N(c1ncc(C=CC(=O)OCC)cc1)C2CCNC2	25
+CC(C)OC(c1c(N2CC(CC2)NCC)nccc1)=O	2
+CC(C)(C)OC(=O)N(CC#C)CCOS(=O)(=O)C	7
+CC(C)(C)OC(N(CC#C)CCO)=O	35
+CC(C)(C)OC(=O)N(CC(N1C(C(OC)=O)CC(N)C1)=O)C	18
+CC(C)(C)OC(=O)N(C)CC(=O)N1C(C(OC)=O)CC(OS(=O)(=O)C)C1	7
+CC(C)(C)OC(N(CCO)CCN1CCSc2cc([N+](=O)[O-])ccc12)=O	15
+CC(C)(C)OC(N(C)CCN1c2c(SCC1)ccc([N+](=O)[O-])c2)=O	15
+CC(C)(C)OC(=O)N(CC(=O)OCC)CCCC(=O)C	97
+C[Si](C)(C)OC(C(N)CN(C(OC(C)(C)C)=O)C)C1CCCCC1	19
+CC(C)(C)OC(N(CC1CC1)C2CC2c3cc(ccc3)C(=O)Nc4cnn(CC)c4)=O	1404
+CC(C)(C)OC(N(CC1CC1)C2CC2c3cc(C(=O)O)ccc3)=O	1
+CC(C)(C)OC(N1c2ccc3cc(C#N)ccc3c2C(CCl)C1)=O	4080
+CC(C)(C)OC(=O)N(C)CCN(c1c(-c2cc(CC)ccc2)c(Cl)ccc1)CCCCOC	713
+CC(C)(C)OC(N(CCCC(C)C)CC1CCCc2c(Oc3ncc(cc3)C(N)=O)cccc12)=O	745
+CC(C)CCCNCC1c2cccc(c2CCC1)Oc3ncc(cc3)C(N)=O	2
+CC(C)(C)OC(N(CCCCN1CCN(CC1)c2cc(nc(n2)C(C)(C)C)C3CCC3)C)=O	15
+CC(C)(C)OC(=O)N(CCCCN(C)C)CCCN	51
+CC(C)(C)OC(N(CCCNC(=O)C(NC(=O)c1cc2ccccc2s1)CC(C)C)C)=O	9
+CC(C)(C)OC(=O)N(CCCNc1c(cnc(Cl)n1)Br)C	40
+CC(C)CC(NC(=O)c1cc2ccccc2s1)C(=O)NCCCNC	2
+CC(C)(C)OC(N(CCCc1ccc2CCCNc2n1)CC(=O)N(C)OC)=O	978
+CC(C)(C)OC(N(CCCc1ccc2CCCNc2n1)CC(=O)OCC)=O	2826
+CC(C)(C)OC(N(CCCc1nc(ccc1)Br)CC=O)=O	378
+CC(C)(C)OC(N(CCCc1nc(ccc1)Br)CC(=O)N(C)OC)=O	978
+CC(C)(C)OC(N(CCN(C)Cc1c2cc(Oc3ccc(cc3)N)ccc2n(C4OCCCC4)n1)C)=O	0
+CC(C)(C)OC(N(CCN(Cc1c(-c2ccc(cc2)N)nn(C3OCCCC3)c1)C)C)=O	0
+N(c1cc2c(cc1)SCCN2CCNC)C(c3sccc3)=N	7417
+CC(C)(C)OC(N(CCN(C(=O)Oc1ccc(cc1)OC)CC)CC)=O	66
+CC(C)(C)OC(N1CCOC(C1)C(C)C)=O	2638
+CC(C)(C)OC(=O)N1CC(c2ccc([N+]([O-])=O)c(C)c2)OCC1	2774
+CC(C)(C)OC(N1CC(OCC1)c2ccc(nc2)Cl)=O	7418
+CC(C)(C)OC(N(CCOC)Cc1n(c(nc1)-c2cc3c(s2)c(Oc4ccc(N)cc4F)ccn3)C)=O	0
+CC(C)(C)OC(N(CCOCCNc1c2c(cccc2)ncc1N)C)=O	13
+CC(C)(C)OC(N(C)CCON)=O	670
+CC(C)Nc1c(ccc(c1)-c2ccc(cc2)CCNCc3ccccc3)C(=O)OC	2
+CC(C)(C)OC(N(CCc1ccc(cc1)-c2cc(CC(C)C)c(cc2)C(O)=O)CC(O)c3cccnc3)=O	1
+c1c(CNCCc2cccc(Cl)c2)cccc1OCCC	2
+CC(C)(C)OC(=O)N(c1ccc(cc1)N)CCc2ccccn2	0
+c1(cc(O)cc(c1)F)-c2c3c(n(CCNCc4ccccc4F)n2)ncnc3N	2
+CC(C)(C)OC(N(CCn1cnc(-c2cc3c(c(Cl)ccn3)s2)c1)CCOC)=O	7419
+c1ccccc1CN2CC(NCc3ccc(F)cc3F)CC2C(=O)N4CCN(CC4)c5ccc(cc5)C(C)=O	2
+C1CC1NCc2c(Cl)ccc(CCNC(=O)OC)c2	2
+CC(C)(C)OC(N(C)Cc1c(ccc(N)c1)N2CCOCC2)=O	0
+CC(C)(C)OC(N(Cc1c(cccc1)F)CCn2c3c(c(N)ncn3)c(n2)I)=O	2827
+CC(C)(C)OC(N(CCn1c2c(c(N)ncn2)c(n1)-c3cc(F)cc(O)c3)Cc4c(cccc4)F)=O	920
+Nc1cccc(Br)c1CNC	2
+c1ccccc1COC(CN2C(C(=NCCc3cc(CNC)ccc3)NC(Cl)=C2C)=O)=O	7420
+O=S(=O)(N(CC(C)C)Cc1cc(cc(Cl)c1)CNCC(C)C)c2cc(cc(c2O)Cl)Cl	2
+CC(C)(C)OC(N(Cc1cc(CN(S(=O)(=O)c2cc(cc(c2O)Cl)Cl)CC(C)C)cc(Cl)c1)CC(C)C)=O	92
+CC(C)(C)OC(N(CCc1cccc(Cl)c1)Cc2cc(OCCC)ccc2)=O	116
+CC(C)(C)OC(N(C1CC1)Cc2cc(ccc2Cl)CCOS(=O)(=O)c3ccc(cc3)C)=O	36
+CC(C)(C)OC(N(Cc1ccc2OCOc2c1)CCCNC)=O	132
+CC(C)(C)OC(N(Cc1cc2c([nH]c(c2)C(=O)OC)nc1)Cc3cc(N)ccc3)=O	0
+CC(C)(C)OC(N(c1ccc(cc1)C2CCCCC2)Cc3ccc(cc3)C(=O)O)=O	1
+CC(C)(C)OC(N(Cc1sc(C(=O)O)cc1)C)=O	1
+CC(C)(C)OC(=O)N(CCCN(C)c1snc(Cl)n1)Cc2ccc3OCOc3c2	4160
+CC(C)CCn1c2ccc(CNC)cc2nc1CN3c4ccccc4C(=O)N(C5CC5)C3=O	2
+CC(C)(C)OC(N(Cc1cc(CCNC2=NC(=C(N(C2=O)CC(OCc3ccccc3)=O)C)Cl)ccc1)C)=O	7421
+c1cc(ccc1N)Oc2ccc(cc2)CCNCc3ccccc3	2
+CC(C)(C)OC(N(Cc1ccccc1)CCc2ccc(cc2)Oc3ccc(cc3)NC(=O)c4ccccc4)=O	50
+CC(C)(C)OC(N(Cc1ccccc1)CCc2ccc(cc2)Oc3ccc(cc3)N)=O	0
+CC(C)(C)OC(=O)N(Cc1c(cccc1)NC(=O)c2ccc(N3CCCC3)cc2Cl)C(C)COS(=O)(=O)C	7
+CC(C)(C)OC(N(Cc1cn(c(-c2ccccc2)c1)S(=O)(=O)c3cccc(C(O)=O)c3)C)=O	1
+CC(C)(C)OC(N(Cc1cn(S(=O)(=O)c2cnccc2)c(c1)-c3cccc(CO)c3F)C)=O	41
+Ic1cc(Cl)ncc1NC	4081
+c1ccccc1CN(Cc2ccccc2)c3ncnc(Nc4c(ccc(N(C)C(=O)OC(C)(C)C)c4)C)c3[N+]([O-])=O	73
+CC(C)(C)OC(N(c1cc(c(cc1)C)N)C)=O	0
+CC(C)(C)OC(N(c1ccc(I)cc1F)C2=C(C=CC(N2C)=O)NS(=O)(=O)C3(CC3)CC=O)=O	465
+CC(C)(C)OC(N(c1ccc(I)cc1F)C=2N(C)C(=O)C=CC=2NS(=O)(=O)C3(CC3)CCO)=O	237
+CC(C)(C)OC(N(c1nc(c2c(cc[nH]2)n1)Oc3c(cc(cc3C)Br)C)c4ccc(cc4)C#N)=O	4161
+CC(C)(C)OC(N(c1ccc(cc1)C2CCCCC2)Cc3ccc(cc3)C(=O)NCC(C(=O)OC)O)=O	14
+CC(C)(C)OC(=O)N(CC(=O)OC(C)(C)C)c1nc(ccc1)C=NO	688
+CC(C)(C)OC(N(c1ccncc1)CCOc2cc(cc(C(O)=O)c2)Cl)=O	1
+CC(C)(C)OC(N(c1ccncc1)CCOc2cc(cc(c2)Cl)C(=O)N(c3cccc(c3)F)CCCn4ncnn4)=O	610
+c1cc(ccn1)NCCOc2cc(cc(Cl)c2)C(=O)N(c3cccc(c3)F)CCCn4ncnn4	396
+CC(C)(C)OC(N(c1cccc(n1)C=O)CC(OC(C)(C)C)=O)=O	178
+CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c2c(F)cc(Oc3c(-c4cc(C=O)ncc4)cc(Cl)cc3)c(F)c2	46
+CC(C)(C)OC(Nc1cc2nc(nn2cc1)N(C)C)=O	2652
+CC(C)(C)OC(Nc1nccc(c1)Oc2cnc([N+](=O)[O-])cc2)=O	4162
+CC(C)(C)OC(=O)Nc1cc(F)c(Cl)nc1	7422
+CC(C)(C)OC(=O)Nc1cc2nc(nn2cc1)-c3cccc(c3)OC	2652
+CC(C)(C)OC(Nc1ccc(cc1)Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC)=O	4163
+CC(C)(C)OC(=O)Nc1cc2c(cc1)C(=C(C(C)(C)O2)F)c3ccc(cc3)F	7423
+CC(C)(C)OC(=O)Nc1nccc(Oc2c(cc(c(F)c2)NC(C3(CC3)C(=O)Nc4ccc(cc4)F)=O)F)c1	4162
+CC(C)(C)OC(=O)Nc1cc(Oc2cncnc2)cc(Cl)c1	4163
+CC(C)(C)OC(N1CCN(CC1C)Cc2ccccc2)=O	15
+CC(C)(C)OC(N1CCN(Cc2ccccc2)CC1CCCC)=O	15
+CC(C)(C)OC(N1C2CC(C1C(N3CCCC3C#N)=O)CC2=O)=O	86
+CC(C)(C)OC(N1CC(CNC(c2cc(ccc2)C#N)=O)CC1C(=O)N3CCSC3)=O	93
+c1c(C(=O)O)cc(Cl)c(F)c1CNC(=O)C2NCC(F)C2	255
+CC(C)(C)OC(N1C(C(=O)NCc2c(c(Cl)cc(c2)C(O)=O)F)CC(C1)F)=O	1
+c1cc(ccc1)C2C(NCCC2)C(Nc3cc4c(cc3)n[nH]c4)=O	255
+CC(C)(C)OC(N1C(C(=O)N2C(C#N)CCC2)C3CC1C(C3)O)=O	10
+CC(C)(C)OC(=O)N1C(CC2(CC2)CC1)(C(O)=O)C	4
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)C)CC1C(=O)OC	7
+O=S(=O)(CC)c1ccc(CNC(=O)c2cnc3C(NCc3c2)C(C)C)nc1	2
+O=S(=O)(CC)c1ccc(cc1)CNC(=O)c2cnc3C(NCc3c2)C(C)C	2
+COc1cc(cc(OC)c1OC)C(=O)N2CC(C(N(C)C)=O)NCC2	255
+CC(C)(C)OC(N1CCC(C1C(=O)NC(Cc2ccc3ccccc3c2)C(=O)OC)N=[N+]=[N-])=O	188
+CC(C)(C)OC(N1C2C(CC1c3n(nnn3)CCC#N)CCCC2)=O	4164
+C1(NCCCC1)C(NCCCCCCCC)=O	255
+CC(C)(C)OC(N1CC(CC1C(=O)Nc2ccc(cc2)N3C(=O)COCC3)N=[N+]=[N-])=O	298
+CC(C)(C)OC(N1C(CN(C(c2cc(OC)c(c(OC)c2)OC)=O)CC1)C(O)=O)=O	4
+CC(C)(C)OC(N1CCN(CC1CO)C(=O)c2cc(OC)c(c(c2)OC)OC)=O	95
+CC(C)(C)OC(N1C(CCC1C(c2ccccc2)O)Cc3ccc(c(Br)c3)NC(Cc4nc(N)sc4)=O)=O	33
+CC1(C)CN(C(=O)CN1)c2c(ccc(F)c2)Cl	255
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3cnc(C(=O)O)cc3)=O	2828
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3cnc(C(NCC)=O)cc3)=O	81
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3cnc(cc3)C(N(C)C)=O)=O	147
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3ccc(nc3)CNCC)=O	729
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3ccc(CN(C)C)nc3)=O	729
+CC(C)(C)OC(N1C(COC1(C)C)CC(CO)C(C)C)=O	118
+CC(C)(C)OC(=O)N1C(C)(C)OCC1CC(C(O)c2ccc3c(c(cn3C)CCCOC)c2)C(C)C	1482
+CC(C)(C)[Si](C)(C)OCC(CC1N(C(OC(C)(C)C)=O)C(C)(C)OC1)CC=C	19
+CC(C)(C)OC(N1C(C)(C)OCC1CC2(CC2)CCOCc3ccccc3)=O	149
+CC(C)(C)OC(=O)NC(CO)CC1(CC1)CCOCc2ccccc2	2777
+CC(C)(C)OC(N1C(CC2(CCCCC2)F)COC1(C)C)=O	1138
+c1cc(ccc1Cl)Nc2ccc(cc2)CCC(N)CO	2122
+c1cc(ccc1)OCC(N)CO	2122
+CC(C)(C)OC(=O)N1C(COC1(C)C)Cc2ccc(cc2)Oc3ccc(cc3)OC	754
+C1CC12CC(C(=O)NC(C)c3ccc(cc3)C(=O)OC)(C)NCC2	255
+CC(C)(C)OC(N1CC(CO)CCC1C)=O	88
+c1c(Br)cc2CC(COc2c1)N(CCCN3C(CNC(C)C3)C)C(Nc4cc(Cl)c(F)cc4)=O	2
+CC(C)(C)OC(N1C(CN(c2nccnc2OCCO)CC1)C)=O	799
+CC(C)(C)OC(=O)N1CC(C)N(c2nc(-c3c(C)cccc3C)nc4CCNCc24)CC1C	25
+CC(C)(C)OC(N1C2CC(CC2)C1C(=O)NCC(c3ccc(cc3)Br)=O)=O	612
+CC(C)(C)OC(=O)N1C2CC2CC1CNCc3ccccc3	110
+CC(C)(C)OC(N1CC(=C)CC1COC(=O)c2ccc(cc2)[N+](=O)[O-])=O	2114
+CCOC(=O)C1(CC(NCC1)=O)CCOC	7424
+FC(F)(F)c1ccc(-c2c(Cl)cnc(CNC(C3CC(F)CN3)=O)c2)cn1	255
+C(NC(=O)C1CC(F)CN1)c2ccnc(Br)c2	255
+CC(C)(C)OC(N1C(CC(NC(=O)c2ccc(s2)Cl)C1)CN=[N+]=[N-])=O	133
+CC(C)(C)OC(N1CC(CC1C(=O)O)Nc2c3c(cccc3)nc(-c4ccccc4OC)n2)=O	4
+CC(C)(C)OC(N1C(CC(O)C1)CO[Si](C)(C)C(C)(C)C)=O	19
+CC(C)(C)OC(N1CC(CC1COS(=O)(=O)c2ccc(cc2)C)O)=O	36
+CC(C)(C)OC(N1CC(NC(=O)c2ccc(s2)Cl)CC1CN)=O	18
+CC(C)(C)OC(N1CC(CC1CN)NS(=O)(=O)c2c(ccc(Br)c2)OC)=O	45
+CC(C)(C)OC(=O)N1CC(CC1C#N)O	143
+CC(C)(C)OC(=O)N1C(CC(C1)OC)CO[Si](C)(C)C(C)(C)C	76
+CC(C)(C)OC(N1CC(N(C(OCc2ccccc2)=O)C(C)C)CCC1CC(OCC)=O)=O	66
+CC(C)(C)OC(N1C(CN2C(=O)c3ccccc3C2=O)CC(N=[N+]=[N-])C1)=O	298
+CC(C)(C)OC(N1C(COc2cc(cnc2)CCc3cc(CO)ccc3)CC1)=O	2829
+C1CC1(S(=O)(=O)NC(=O)C2(CC2C=C)NC(=O)C3CC4(CN3)C5(CCC5)C4(C)C)CCC	255
+CC(C)(C)OC(N1C(C(NC2(C(=O)NS(=O)(=O)C3(CC3)CCC)C(C2)CC)=O)CC4(C(C)(C)C45CCC5)C1)=O	732
+CC(C)(C)OC(N1C(C)(C)OCC1CC2(CC2)CCO)=O	347
+CC(C)(C)OC(N1C(CC2(CC2)C=C)COC1(C)C)=O	7425
+CC(C)(C)OC(NC(CO)CC1(CCCCC1)F)=O	2777
+CC(C)(C)OC(N1CC2C(CC1CNc3ccc(C(F)(F)F)nn3)C2)=O	232
+CC(C)(C)OC(N1CC2C(C2)CC1CNc3cnc(cn3)C(F)(F)F)=O	941
+CC(C)(C)OC(N1C2C(C2)CC1c3[nH]c4c(n3)ccc5cc(ccc45)Br)=O	442
+CC(C)(C)OC(=O)N1C(C)CCC(C(=N)NO)C1	409
+FC(F)(F)c1cnc(nc1)NCC2NCC(C)CC2	2
+CC(C)(C)OC(N1C(CCC(COc2ccc(cc2)C(F)(F)F)C1)C)=O	262
+FC(F)(F)c1ccc(cc1)OCC2CNC(CC2)C	2
+CC(C)(C)OC(=O)N1C(CCC(C1)Oc2nccc(I)c2Cl)C	430
+CC(C)(C)OC(N1C(c2c(CCC1)cc(C(=N)NO)cc2)CCC(OC)=O)=O	181
+CC(C)(C)OC(=O)N1C(CNCc2ccccc2Cl)(CCC1)C	110
+CC(C)(C)OC(N1C(CCC1)(C)C=O)=O	24
+CC(C)(C)OC(=O)N1C(Cn2nc(-c3ccc(cc3)Oc4c(cccc4F)F)c5c2ncnc5N)CCC1	918
+CC(C)(C)OC(=O)N1C(Cn2nc(-c3ccc(cc3)Oc4cc(F)cc(c4)F)c5c2ncnc5N)CCC1	918
+CC(C)(C)OC(=O)N1C(Cn2c3ncnc(N)c3c(-c4c(cc(Oc5ccccc5)cc4)F)n2)CCC1	920
+c1ccccc1C(O)C2NC(Cc3ccc(NC(Cc4nc(N)sc4)=O)c(Br)c3)CC2	2
+CC(C)(C)OC(N1CCCCC1C(=O)NC(C=CC(=O)OC)CC)=O	1475
+CC(C)(C)OC(N1CCCCC1C(=O)NC(Cc2cnc(cc2)Br)C(=O)N)=O	207
+c1ccccc1CCCC(CCCc2ccccc2)NC(=O)C3CCCCN3C(OC(C)(C)C)=O	9
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCCCN3C(=O)C4CCCCN4C(=O)OC(C)(C)C)=O	348
+CC(C)CC(C(=O)NCCC1CSCCN1)NC(=O)c2cc3ccccc3s2	2
+c1ccccc1COC(N2CC(CCn3ncc4ccccc34)NCC2)=O	2
+CC(C)(C)OC(N1CC(N(CCCNC2Cc3c(ccc(Br)c3)OC2)CC1C)C)=O	284
+CC(C)(C)OC(N1C(C(N(C)C)=O)CN(C(=O)c2cc(OC)c(c(c2)OC)OC)CC1)=O	10
+CC(C)(C)OC(N1C(CN(CC1)c2ccc(N)c(n2)C)C)=O	13
+CC(C)(C)OC(N1C(C)(CC)CN(Cc2cc(nc3c2c(C)nn3C4CCCCO4)-c5ccc(cc5)O)C(C)(C)C1)=O	119
+CC(C)(C)OC(N1C(CN(Cc2cnc(N(C)C(c3cnc(cc3)Oc4ccc(cc4)F)=O)cc2)CC1)C)=O	136
+CC(C)(C)OC(N1C(CN(Cc2cnc(cc2)N(C)C(c3ccc(nc3)Cl)=O)CC1)C)=O	7426
+CC(C)(C)OC(=O)N1C(C(O)=O)CN(CC1)c2ncnc3c2cc(c(Cl)c3)Br	4
+CC(C)(C)OC(=O)N1CC(CC1CN2C(=O)c3ccccc3C2=O)N	18
+CC(C)(C)OC(N1C(CC2C(C2)C1)CN)=O	45
+CC(C)(C)OC(N1CC2C(C1CN)CC(C2)C)=O	273
+CC(C)(C)OC(=O)N1CCCC1COS(=O)(=O)C	7
+CC(C)(C)OC(=O)N1CCCC1COS(=O)(=O)c2ccc(cc2)C	36
+CC(C)(C)OC(=O)N1C(CCC1)CN2N=C(Cc3ccc(cc3)Cl)c4c(cccc4)C2=O	7427
+CC(C)(C)OC(N1C(C)(C)OCC1COc2ccccc2)=O	20
+CC(C)(C)OC(N1C(CC(=O)C1)COC(=O)c2ccc(cc2)[N+](=O)[O-])=O	86
+CC(C)(C)OC(N1C(C)(C)OCC1CC(C=O)C(C)C)=O	24
+CC(C)(C)OC(=O)N1C(C)(C)OCC1CC2COCCC2	1117
+CC(C)(C)[Si](C)(C)OCC1C(C)=CC(CN1)N(OCC=C)S(=O)(=O)c2c(cccc2)[N+]([O-])=O	366
+CC(C)(C)OC(=O)N1C(C=C(C(=O)N(C)C)C(N(S(=O)(=O)c2c(cccc2)[N+](=O)[O-])OCC=C)C1)CO	35
+CC(C)(C)OC(N1C(COc2cc(cnc2)CCc3cccc(CNS(=O)(=O)C)c3)CC1)=O	111
+CC(C)(C)OC(N1C(COc2cc(cnc2)CCc3cccc(c3)CN=[N+]=[N-])CC1)=O	1298
+CC(C)(C)OC(N1C(COc2cc(cnc2)CCc3cc(CCl)ccc3)CC1)=O	438
+CC(C)(C)OC(N1C(COc2cc(CCc3cc(ccc3)CN)cnc2)CC1)=O	18
+CC(C)(C)OC(N1C(CCNC(C(NC(=O)c2cc3ccccc3s2)CC(C)C)=O)CSCC1)=O	9
+c1cc(ccc1F)Cn2c3CNC(CN)Cc3c4c2cccc4	2
+CC(C)(C)OC(N1Cc2c(cccc2)CC1C(=O)NCC(c3ccccc3)=O)=O	612
+CC(C)(C)OC(N1C(CO)Cc2c3ccccc3n(Cc4ccc(cc4)F)c2C1)=O	21
+CC(C)(C)OC(N1C2C(OC1=O)CCN(c3ccncc3N)C2)=O	13
+CC(C)(C)OC(=O)N1C(c2ccc(-c3nc(on3)-c4ccc(c(c4)Cl)OC(C)C)cc2CCC1)CCC(=O)OC	3811
+C1CN(CCO1)c2nc3cc(ccc3cc2C4CCCN4)F	2
+CC(C)(C)OC(=O)NC1C(CCCC1)Nc2c(c3CN(C(OC(C)(C)C)=O)C(c3c(Cl)n2)=O)F	70
+c1(C2NCCC2)cc(ccc1F)F	2
+C1COCCN1C2=CC(=O)c3cc(C(=O)OC)cc(C4NCCC4)c3O2	2
+c1(cc(nc(-n2ccnc2)n1)C3NCCC3C(=O)NC)C	2
+CC(C)(C)OC(N1C(c2ccc(c(c2)F)C(O)=O)CCC1)=O	1
+CC(C)(C)OC(=O)N1CCCC1c2ccc(c(c2)F)-c3nc4c(cccc4C(N)=O)[nH]3	1127
+FC(F)(F)c1cc(-n2c(C)nnn2)cc(COC3CCCN(C3c4ccccc4)C(=O)OC(C)(C)C)c1	7428
+c1cc(ccc1F)Cn2nc(C3NCC4CCCN4C3)cc2	2
+C1(NCCC1)c2sc(-c3nc4cccc(C(=O)N)c4[nH]3)cc2	2
+CC(C)Oc1c([N+]([O-])=O)ccc(N2CCC3(CCCN3)C2)c1	2
+CC(C)(C)OC(=O)N1C2(CCN(CC2)C(=O)c3ccc(cc3)-c4cn5c(-c6ccc(cc6)C#N)cnc5cc4)CCCC1	30
+C1C2CC3CC1(CC(C2)C3)NC(=O)N4CC5(C4)NCC5	2
+CC(C)(C)OC(N1C(C(=O)O)C2CC1C(C2)O)=O	3
+c1cc(ccc1)COC(N2CC3NCCC3C2)=O	2
+CC(C)(C)OC(=O)N1C2CC2CC1CO	44
+CC(C)(C)OC(=O)N1C2CCCC2CC1CNC(=O)c3cccc4c3CCO4	14
+CC(C)(C)OC(=O)N1C2CCCC2CC1CNC(=O)c3c(C)nc4n3ccs4	312
+CC(C)(C)OC(=O)N1C2CCCCC2CC1c3[nH]nnn3	2612
+CC(C)(C)OC(N1C2C(n3c(c(C(O)=O)c(I)n3)C1)COC2)=O	6
+CC(C)(C)OC(=O)N1C(=O)OC2CCN(c3c(cncc3)NC(c4nc(ccc4N)-c5c(F)cccc5F)=O)CC12	510
+CC(C)(C)OC(N1Cc2c(C(=O)N)c(nn2C3C1COC3)I)=O	1356
+CC(C)(C)OC(N1C2CC(CC1CC2)c3ccc(cc3)N4CCN(CC4)S(=O)(=O)C)=O	191
+CC(C)(C)OC(N1C(C(N2C(C#N)CCC2)=O)C3CC1C(OCC(N)=O)C3)=O	83
+CC(C)(C)OC(N1C(C(=O)N2C(C#N)CCC2)C3CC1C(C3)O)=O	100
+CC(C)(C)OC(=O)N1C2CC(C1CC2)CN=[N+]=[N-]	133
+CC(C)(C)OC(=O)N1C(CN)C2CCC1C2	273
+C1CC2CC(CC1N2)(Cn3ncnc3)C4CCCCC4	2
+CC(C)(C)OC(N1C2CC(CC1CC2)(c3ccccc3)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(COS(=O)(=O)C)C3CCCCC3	2820
+c1cc(ccc1C2CC3CCC(C2)N3)N4CCN(CC4)S(=O)(=O)C	2
+CC(C)(C)OC(=O)N1C(C2CCC1C2)c3[nH]c(-c4ccc(cc4)Br)cn3	4165
+FC(F)(F)C(NCC1CC2CC2N1C(=O)OC(C)(C)C)=O	659
+o1c(-c2csc(c2)Cl)cc(n1)C3NC4CC4C3	2
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)C#N	881
+C1C2CCC(CC1NC(CCCc3cnn[nH]3)=O)N2	2
+CC(C)(C)OC(=O)N1C2CNCC1CC2	25
+CC(C)(C)OC(=O)N1C(CC2CCCC12)CNCc3ccccc3	110
+CC(C)(C)OC(N1CC2CC1CN2c3nc(cc4nccn34)-c5cc(NCc6c7c(cccc7)ccc6)ncc5)=O	70
+CC(C)(C)OC(=O)N1CCC(=C(C(OC)=O)C1)c2ccc(cc2)OCc3onc(-c4c(F)ccc(F)c4Cl)c3	20
+c1cc2CCN(CC(CN3CCNCC3=O)O)Cc2cc1	255
+CC(C)(C)OC(N1CC(=O)N(CC(O)CN2Cc3c(cccc3)CC2)CC1)=O	170
+CC(C)(C)OC(N1CCN(Cc2c(ccc(OS(=O)(=O)C)c2)Cl)C(C1)=O)=O	806
+CC(C)(C)OC(=O)N1CCN(C(=O)C1)c2nc3c(cc2)cc(C#N)cc3	7429
+CC(C)(C)OC(=O)N1CCN(c2c3c(n(c2)CC)nc(cc3)F)C(C1)=O	7430
+CC(C)(C)OC(=O)N1CC(CCC1)C(=N)NO	409
+CC(C)(C)OC(=O)N1CC(C=2CC(=O)n3c(ccn3)N=2)CC1	1085
+CC(C)(C)OC(=O)N1CC(CC(C#N)C1)N(CC(C)C)C(c2nc3ccccc3n2CCCCOC)=O	143
+c1ccccc1COC(N2C(C(N3CCOCC3)=O)CNCC2)=O	2
+c1cc(ccc1)CNC(C2CNCC2CN(C(c3cc(c(cc3)OC)OCCCOC)=O)C(C)C)=O	2
+CC(C)(C)OC(N1CC(CCC1C)c2nc3c(ccc(Cl)c3)o2)=O	2037
+CC(C)(C)OC(N1CCC(C(C1)C(OC)=O)CCC(c2c(F)cnc3ccc(OC)cc23)=O)=O	167
+CC(C)(C)OC(N1CC(C(Nc2ccc(cc2)Cl)=O)CC(N=[N+]=[N-])C1)=O	33
+CC(C)(C)OC(N1CC(CO)(Cc2ccccc2F)CCC1)=O	95
+CC(C)(C)OC(=O)N1CC(Cc2ccccc2)C(CO)(F)C1	44
+c1ccccc1COC(C2CNCCO2)=O	2
+CC(C)(C)OC(C1CN(C(=O)OC(C)(C)C)CC1C(=O)N(C)OC)=O	1885
+CC(C)(C)OC(N1CCC(C(C1)OC)N)=O	316
+CC(C)(C)OC(=O)N1CC(N(C)C)C(NC(=O)c2nc(c(Cl)[nH]2)CC)CC1	855
+CC(C)(C)OC(=O)N1CC(C(CC1)NC(OCc2ccccc2)=O)C(O)=O	3
+CC(C)(C)OC(N1CCC(C(OCc2cc(OCc3ccccc3)c4ccccc4c2)C1)c5cccc(c5)C(=O)OC)=O	555
+CC(C)(C)OC(=O)N1CCC(C(C1)COC)c2ccc(cc2)Cl	21
+CC(C)(C)OC(=O)N1CC(C(c2ccc(cc2)OCCCOCc3c(F)cccc3)CC1)=O	8
+CC(C)(C)OC(N1CC(OCc2cc(OCc3ccccc3)c4ccccc4c2)C(CC1)c5cccc(CF)c5)=O	2672
+CC(C)NCC1C(CNC1)CN(C(c2ccc(c(c2)OCCCOC)OC)=O)C(C)C	2
+CC(C)(C)OC(N1CC(CNC(=O)C(CC(C)C)NC(c2cc3ccccc3s2)=O)C(O)C1)=O	1816
+CC(C)(C)OC(N1CC(C(CNC(C(CC(C)C)N)=O)C1)O)=O	334
+c1(ccc2c(n1)NC(=O)CS2)CN(C(=O)C3CNCCO3)C	2
+CC(C)(C)OC(N1CCC(C(=O)C)C1)=O	2830
+CC(C)(C)OC(N1CCC(C(=O)C)C1)=O	591
+CC(C)(C)OC(=O)N1CC(CC1)C(c2ncc(Br)cc2)=O	7431
+c1cc(ccc1NC(=O)C2CNCC(C2)N=[N+]=[N-])Cl	2
+CC(C)(C)OC(N1CC(N(CC1)C)c2nc(no2)-c3ccc(cc3)F)=O	859
+CC(C)(C)OC(N1CC(c2cc(ccc2C1)OC)C(O)=O)=O	4
+CC(C)(C)OC(=O)N1CCC(C(C1)CN)OC	18
+CC(C)(C)OC(=O)N1CC(C(C(=O)OCC)C1)C=O	24
+CC(C)(C)OC(N1CC(C(OCC1)c2cc(c(Cl)cc2)Cl)CC#N)=O	300
+CC(C)(C)OC(=O)N1CCOC(c2cc(Cl)c(cc2)Cl)C(CN=[N+]=[N-])C1	133
+CC(C)(C)OC(N1CC(C(OCC1)c2ccc(Cl)c(c2)Cl)CC(N)=NO)=O	609
+CC(C)(C)OC(N1CC(C(OCC1)c2ccc(Cl)c(c2)Cl)Cc3nc(C)on3)=O	7432
+CC(C)(C)OC(N1CC(c2ccc(c(Cl)c2)Cl)C(C(O)=O)C1)=O	4
+CC(C)(C)OC(N1CC(C(c2ccc(cc2)OCC(OCC)=O)CC1)OCc3ccc4c(cccc4)c3)=O	52
+CC(C)(C)OC(=O)N1CC(C)(C)NCC1C(C)C	25
+CC(C)(C)OC(N1C(CN(Cc2c3c(C)nn(C4CCCCO4)c3nc(c2)Br)C(C)(C)C1)(C)CC)=O	2141
+CC(C)(C)OC(N1CC(C)CCC1CNc2nc(C)cc(C)n2)=O	96
+FC(F)(F)c1cc(NCC2CCC(CN2C(OC(C)(C)C)=O)C)ncc1	182
+CC(C)(C)OC(N1CC(CCC1CNc2ccc(cn2)C(F)(F)F)C)=O	70
+CC(C)(C)OC(N1C(CCC(C1)C)CNc2ncc(cn2)C(F)(F)F)=O	96
+c1(nc(nc(C)c1)NCC2CCC(CN2)C)C	2
+CC(C)(C)OC(N1CC(C)N(CC1)c2ccc(nc2)N)=O	161
+CC(C)(C)OC(N1CC(C)N(c2cnc(cc2)NC3=CC(=CN(C3=O)C)Br)CC1)=O	523
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)N3C(CNCC3)C)Br	2
+N12C(CNCc3c1c(ccc3)C(CF)CC2)C	2
+CC(C)(C)OC(N1CC(C)N2CCC(CF)c3cccc(c23)C1)=O	2831
+CC(C)(C)OC(=O)N1CC(C1)(CNC(=O)c2c(ccc(F)c2Cl)F)C3CCCCN3C	93
+C1C(CN1)(c2cc(cc(F)c2)Cl)O	2
+CC(C)(C)OC(N1CC(C1)(O)c2cc(cc(F)c2)Cl)=O	251
+O=S(=O)(NC(C1CNC1)=O)Cc2ccccc2	2
+CC(C)(C)OC(N1CC(C1)c2[nH]c3c(cc(C)cc3)n2)=O	791
+CC(C)(C)OC(N1CC(C1)c2[nH]c3cc(ccc3n2)Cl)=O	791
+CC(C)(C)OC(N1CC(C1)C(c2ccccc2OC)=O)=O	832
+CC(C)(C)OC(=O)N1CC(C1)CO	21
+CC(C)(C)OC(N1CC(C1)C(N(OC)C)=O)=O	164
+CC(C)(C)OC(=O)N1CC(C1)c2nc(no2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C	859
+CC(C)(C)OC(=O)N1CC(C1)Cc2c(OC)cccc2	165
+C1CN(CCC1C2CNC2)C(=O)c3sccn3	2
+CC(C)(C)OC(N1CC(C1)CCO)=O	21
+CC(C)(C)OC(=O)N1CC(C1)Cc2onc(-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)n2	859
+CC(C)(C)OC(N1CC(C1)CCOc2cccc(Oc3ccc(cc3)Cl)c2)=O	20
+CC(C)(C)OC(N1CC(C1)Cn2nccc2)=O	1593
+CC(C)(C)OC(=O)N1CC(C1)c2c(c(C(C)=O)cc(c2C)Cl)OC	2832
+CC(C)(C)OC(=O)N1CC(C1)c2c(c(cc(C(=O)C)c2OC)Cl)F	2832
+CC(C)(C)OC(=O)N1CC(C1)c2cc(c(cc2)OCc3ccc(cc3)C4CC4)OC	2832
+CC(C)(C)OC(N1CC(C1)Nc2cncc(N3C(c4c(cc(cc4)Cl)C3(C)C)=O)c2)=O	7433
+CC(C)(C)OC(=O)N1CC(C1)NC(Nc2cc(F)c(cc2)Oc3c4c(ncc3)cc(s4)-c5ccc(cn5)C6OCCO6)=O	1337
+CC(C)(C)OC(N1CC(C1)NC(CNC(=O)OCc2ccccc2)=O)=O	9
+C1CN(CCN1C2CNC2)C(c3sccn3)=O	2
+CC(C)(C)OC(N1CC(C1)NC(=O)CNc2c3cc(C(F)(F)F)cnc3ccn2)=O	7434
+FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C(OC(C)(C)C)=O)c2c1	2801
+CC(C)(C)OC(N1CC(C1)NC(=O)CN)=O	334
+CC(C)(C)OC(N1CC(C1)NC2CNCC2)=O	62
+C1C(CN1)NC2CN(CC2)C(=O)c3ccccc3	2
+CC(C)(C)OC(N1CC(C1)NC2CCN(C(c3ccccc3)=O)C2)=O	30
+CC(C)(C)OC(=O)N1CC(C1)n2c(ccn2)-c3c(ccc(c3)Cl)O	2008
+CC(C)(C)OC(=O)N1CC(C1)n2nccc2-c3cc(ccc3O)C(F)(F)F	2008
+CC1(C)c2c(C(N1c3cc(NC4CNC4)cnc3)=O)ccc(Cl)c2	2
+CC(C)(C)OC(N1CC(C1)Oc2n(-c3ccnc(N)n3)c4c(n2)ccc(Br)c4)=O	7435
+FC(F)(F)c1c(cccc1)COC2CN(C2)C(=O)OC(C)(C)C	149
+CC(C)(C)OC(N1CC(C1)Oc2c(C=O)c(cc(Cl)c2)F)=O	57
+CC(C)(C)OC(N1CC(C1)OCC2CCN(CC2)c3ncc(cn3)CC)=O	967
+C1C(CN1)OCCN2C(C(=Cc3cnc(NCC)nc23)c4ccc(-c5nc(C)cnc5)cc4Cl)=O	2
+CC(C)(C)OC(N1CC(C1)OCCN2C(C(=Cc3cnc(NCC)nc23)c4ccc(-c5nc(C)cnc5)cc4Cl)=O)=O	306
+CC(C)(C)OC(N1CC(C1)OCCN2c3nc(ncc3C=C(C2=O)c4ccc(-c5nc(C)cnc5)cc4Cl)SC)=O	1597
+CC(C)(C)OC(N1CC(C1)OCCN2C(C(=Cc3cnc(S(=O)C)nc23)c4ccc(-c5nc(C)cnc5)cc4Cl)=O)=O	172
+CC(C)(C)OC(N1CC(C1)OCCN2C(C(Br)=Cc3cnc(SC)nc23)=O)=O	7436
+CC(C)(C)OC(N1CC(C1)Oc2cc3c(OCC4=NNC(=O)C(C)N34)cc2C(C)C)=O	1382
+CC(C)(C)OC(=O)N1CC(C1)Oc2cc(cc(c2O)F)Cl	7437
+CC(C)(C)OC(N1CC(C1)Oc2c(ccc(c2)Cl)OCC(=O)OCC)=O	7438
+CC(C)(C)OC(N1CC(C1)Oc2cc(Cl)ccc2OCC(=O)O)=O	3
+CC(C)(C)OC(N1CC(C1)Oc2c(ncnc2-c3c(c(cc(F)c3)NC(c4c(cc(C5CC5)cc4)F)=O)C)N)=O	379
+CC(C)(C)OC(N1CC(C1)Oc2c(OCc3nc(C)no3)ccc(Cl)c2)=O	1166
+CC(C)(CN1C(c2[nH]c3ccccc3c2CC1C)c4c(cc(cc4F)OC5CNC5)F)F	2
+CC(C)(C)OC(N1CC(C1)Oc2cc(F)c(c(c2)F)C3c4[nH]c5ccccc5c4CC(N3CC(C)(C)F)C)=O	7439
+C1CN(CCO1)Cc2ccc(cc2OC)OC3CNC3	2
+CC(C)(C)OC(N1CC(C1)Oc2c(C(C)=C)cc3c(N4C(C)C(=O)NN=C4CO3)c2)=O	4166
+CC(C)(C)OC(N1CC(C1)Oc2cc3c(cc2)OCC=4N3C(C)C(=O)NN=4)=O	2833
+CC(C)(C)OC(N1CC(C1)Oc2cc3c(OCC(=S)N3C(C)C(OCC)=O)cc2)=O	199
+C1NCC1Oc2nc3c(n2-c4ccnc(N)n4)cc(Br)cc3	2
+C1NCC1c2[nH]c3c(cc(C)cc3)n2	2
+C1C(CN1)c2[nH]c3c(cc(Cl)cc3)n2	2
+CC(C)n1ncnc1-c2sc3c(-c4c(cc(C5CNC5)cc4)OCC3)n2	2
+CC(C)(C)OC(N1CC(C1)c2ccc(c(F)c2)N(C)c3ncc4c(n(C)cn4)c3)=O	1121
+C1C(CN1)c2ccc(c(c2)F)N(C)c3ncc4c(n(C)cn4)c3	2
+CC(C)(C)OC(N1CC(C1)c2ccc(Nc3ncc4c(n(cn4)C)c3)c(c2)F)=O	1504
+c1cc(ccc1-c2ncn(C3CNC3)c2-c4nc(ncc4)N)F	2
+CC(C)(C)OC(N1CC(C1)n2c3nccc(NS(=O)(=O)c4ccccc4)c3c(-c5cc6c(CCN6C)cc5F)c2)=O	7440
+c1cc(ccc1)S(=O)(=O)Nc2ccnc3n(C4CNC4)cc(-c5cc6c(CCN6C)cc5F)c23	2
+CC(C)(C)OC(N1CC(C1)n2c3c(c(c2)-c4c(cc5CCN(c5c4)C)F)c(Br)ccn3)=O	4167
+CC(C)(C)OC(=O)N1CC(N(OCC=C)S(=O)(=O)c2c(cccc2)[N+]([O-])=O)C=C(C1C(=O)N)C	7441
+CC(C)(C)OC(=O)N1CC(C(CNC(C)C)C1)Cc2ccccc2	110
+CC(C)(C)OC(=O)N1CCC(C1)C=C	2142
+CC(C)(C)OC(N1CC(C(=O)O)CC(NC(OCc2ccccc2)=O)C1)=O	4
+CC(C)(C)OC(=O)N1CC(N2C(c3c(-c4c(Cl)cccc24)noc3C)=O)CC(C(O)=O)C1	3
+CC(C)(C)OC(N1CC(Nc2ccc(cc2)C=3C(=O)N4C=CC=CC4=NC=3NC(C)C)CC1)=O	205
+CC(C)(C)OC(N1CCC(Nc2nc3c(sc4ccccc34)c(N(C)C)n2)C1)=O	798
+CC(C)(C)OC(N1CCC(NC(=O)Nc2ccc3c(n(-c4ccccc4)nc3SC)c2)C1)=O	675
+CC(C)(C)OC(N1CCC(Nc2c3c(cccc3cc(n2)C#N)Cl)C1)=O	70
+CC(C)(C)OC(N1CCC(Nc2c3cc(Cl)ccc3cc(C#N)n2)C1)=O	70
+CC(C)(C)OC(=O)N1CCC(C1)NCc2c(Cl)cc(cc2)Cl	42
+CC(C)(C)OC(=O)N1CC(Nc2nc(C#N)cc3ccccc23)CC1	70
+CC(C)(C)OC(N1CCC(NC(OCc2ccccc2)=O)C1)=O	2834
+CC(C)(C)OC(=O)N1CC(CC1)Nc2c(cc(S(=O)(=O)N)cc2)[N+]([O-])=O	60
+CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1	71
+CC(C)(C)OC(N1CC(CC1)Nc2c3cc(ccc3cc(Cl)n2)F)=O	70
+CC(C)(C)OC(=O)N1CCC(C1)Nc2cc(Cl)c(cc2)F	250
+CC(C)(C)OC(=O)N1CCC(C1)Nc2cc(c(C#N)cc2)Cl	60
+CC(C)(C)OC(N1CC(CC1)NC(=O)c2cc3nccc(c3s2)Oc4ccc([N+]([O-])=O)cc4F)=O	1256
+CC(C)(C)OC(=O)N1CCC(C1)NC(=O)c2ccc(cc2)-n3c4ccccc4nc3C	14
+CC(C)(C)OC(N1CC(Nc2ccc(cc2)C3=C(OC)N=C4C=CC=CN4C3=O)CC1)=O	205
+CC(C)(C)OC(=O)N1CC(NCc2ccc(cc2)Cl)CC1	42
+CC(C)(C)OC(=O)N1CC(CC1)Nc2c3c(n(CC)c(C(=O)OC)n3)ncn2	516
+CC(C)(C)OC(N1CCC(C1)Nc2cc(-c3c(cccc3)O)nc4c2cccc4)=O	105
+CC(C)(C)OC(N1CC(NC(=O)COCCN(C)C)CC1)=O	28
+CC(C)(C)OC(N1CC(CC1)NC(=O)c2cc3nccc(c3s2)Oc4ccc(N)cc4F)=O	0
+CC(C)(C)OC(N1CCC(Nc2c3c(ccc(c3)F)cc(C#N)n2)C1)=O	577
+CC(C)(C)OC(=O)N1CCC(Oc2c3c(cccc3Cl)cc(n2)C#N)C1	91
+CC(C)(C)OC(N1CCC(OS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(N1CC(CC1)OCc2ccccc2)=O	149
+c1ccccc1COC2CNCC2	2
+CC(C)(C)OC(N1CCC(n2c(c(-c3ccc(cc3)Oc4ccccc4)c5c(N)ncnc25)C(=O)N)C1)=O	2835
+CC(C)(C)OC(N1C(C(Nc2ccc(cc2)N3C(=O)COCC3)=O)CC(OS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(=O)N1CC(CC1C(N(C)C)=O)Nc2nc(nc3ccccc23)-c4ccccc4OC	10
+CC(C)(C)OC(=O)N1CC(CC1C(OC)=O)c2ccccc2	325
+CC(C)(C)OC(=O)N1C(C(NC2(CC2C=C)C(=O)OCC)=O)CC(OC(=O)N3Cc4c(F)cccc4C3)C1	1468
+CC(C)(C)OC(=O)N1CC(CC1C(O)=O)OC	4
+CC(C)(C)OC(=O)N1C(CC(Nc2ccc(cc2[N+](=O)[O-])Br)C1)CO	60
+CC(C)(C)OC(N1CC(CC1CN=[N+]=[N-])O)=O	254
+CC(C)(C)[Si](C)(C)OC1CNC(C1)COc2c3c(ncnc3Nc4cc(c(F)cc4)Cl)cc(OC)c2	2
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)C)CC1Cc2c3ccccc3[nH]c2C	7
+Clc1cccc(C(C2CCCNC2)(O)CCCCOC)c1	2
+CC(C)(C)OC(N1CCCC(C(c2cccc(Cl)c2)(OC)CCCCOC)C1)=O	76
+CC(C)(C)OC(N1CC(Cn2c(nc3c2nc(nc3)NCc4ccc(F)c(F)c4)-c5c(Cl)cccc5F)CCC1)=O	4168
+CC(C)(C)OC(=O)N1CC(CCC1)CI	572
+CC(C)(C)OC(N1CC(CCC1)NC(c2ccc(cc2)Nc3nc(c(F)cn3)-c4n(C(C)C)c(nc4)C)=O)=O	4169
+c1cc(ccc1Nc2nc(c(F)cn2)-c3n(C(C)C)c(nc3)C)C(=O)NC4CCCNC4	2
+CC(C)(C)OC(N1CCCC(C1)c2c3c(NC(=O)NC3=O)nc(-c4c(cccc4)OCc5ccccc5)c2)=O	7442
+CC(C)(C)OC(N1CC(n2nc(-c3ccc(cc3)Oc4c(ccc(F)c4)F)c5c(N)ncnc25)CCC1)=O	918
+CC(C)(C)OC(N1CC(n2nc(-c3ccc(cc3)Oc4cccc(F)c4)c5c(N)ncnc25)CCC1)=O	918
+CC(C)(C)OC(=O)N1CCCC(n2nc(-c3ccc(cc3)Oc4c(cccc4)F)c5c(ncnc25)N)C1	920
+Clc1ccc2c(nc(C3CNC(C)CC3)o2)c1	2
+FC(F)(F)c1ccc(NCC2CCC(CN2)C)nc1	2
+CC(C)(C)OC(N1CC(C(OC)CC1)CN=[N+]=[N-])=O	76
+CC(C)CC(C(NCC1C(O)CNC1)=O)NC(c2cc3ccccc3s2)=O	2
+CC(C)(C)OC(=O)N1CC(CC1C(N2CCSC2)=O)CNC(=O)c3cccc(-c4nnn[nH]4)c3	424
+FC(F)(F)C(=O)N(CC1CN(C(OC(C)(C)C)=O)CCC1)Cc2ncc3c(c2)OCCO3	7443
+CC(C)(C)OC(N1CCCC(Cc2c(F)cccc2)(C1)COC)=O	76
+CC(C)(C)OC(N1C(CCC(C1)COS(=O)(=O)C)C)=O	7
+CC(C)(C)OC(=O)N1CC(C(O)=O)CCC1C	1405
+CC(C)(C)OC(=O)N1c2c(ccc(c2)[N+](=O)[O-])C(CCl)C1	1507
+CC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)C(CO)C1	682
+CC(C)(C)OC(=O)N1CC(CSCc2ccccc2)CC1	786
+CC(C)(C)OC(=O)N1CCC(Cn2c(C)c(nc2-c3ccc(cc3)Br)C)C1	1193
+CC(C)(C)OC(=O)N1CC(CC1)CSCc2ccc(cc2)F	786
+CC(C)(C)OC(N1CCOC(CN=[N+]=[N-])C1)=O	133
+C1CC(F)(COc2c3cccnc3cc(-c4cnn(CC)c4)n2)CNC1	2
+c1(c(c(Cl)ccc1)-c2n(c3c(cnc(n3)NCc4cc(F)c(cc4)F)n2)CC5CNCCC5)F	2
+CC(C)(C)OC(N1CC(OCC1)Cn2ncc(c2)Nc3ncnc(Cl)n3)=O	4170
+CC(C)(C)OC(=O)N1CC(C(F)(C1)CN(C(C2CC(Nc3c2cccc3)=O)=O)C4CC4)Cc5ccccc5	10
+CC(C)(C)OC(N1CCC(C(F)(F)C1)CNc2nc(ncc2C=O)SC)=O	40
+CC(C)(C)OC(N1CC(F)(F)C(=O)CC1)=O	86
+CC(C)(C)OC(=O)N1CC(F)(F)CC1C=CC(OCC)=O	1667
+CC(C)(C)OC(N1CCC(C(C1)F)OS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1CCC(OC(=O)c2ccccc2)C(F)C1)=O	279
+CC(C)(C)OC(N1C2(COCCOC2)C(=O)N(CC(=O)O)C(c3cc(F)ccc3)C1)=O	4
+CC(C)(C)OC(=O)N1CC(CCC1CC(=O)O)N(C(OCc2ccccc2)=O)C(C)C	3
+CN(c1nc(cc2c1cccc2)C=3NC(=O)NN=3)C4CCNC4	2
+CC(C)(C)OC(=O)N1CC(N(C2CCC(C)(C)CC2)C(C)=O)CC1C(=O)O	4
+CC(C)(C)OC(=O)N1Cc2n(CC1)ccc2C#N	7444
+CC(C)(C)OC(=O)N1CC(C(=O)O)CC(N(C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C)C)C1	4
+CC(C)(C)OC(=O)N1CC(C(OC)=O)N(C(=O)C=Cc2cccc(c2)Cl)CC1	325
+FC(F)(F)C(NCC1N(CCOCCO)CCN(C1)C(OC(C)(C)C)=O)=O	659
+c1ccccc1CN2CCNCC2C	2
+CC(C)(C)OC(N1CC2(CC2)N(Cc3ccccc3)CCC1)=O	4101
+CC(C)(C)OC(N1C(C)CN(C(C)C1)CCCN(C(=O)Nc2cc(Cl)c(cc2)F)C3COc4c(cc(Br)cc4)C3)=O	326
+c1cc(ccc1CN2CCNCC2C)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5	2
+CC(C)(C)OC(=O)N1C(CN(C(C1)CCl)Cc2ccccc2)C	1507
+CC(C)(C)OC(N1CCCC(C1)Nc2cc(nc(SC)n2)OC)=O	40
+CC(C)(C)OC(=O)N1CC(Nc2c3c(ccs3)ncc2[N+](=O)[O-])CCC1	1972
+CC(C)(C)OC(=O)N1CC(Nc2c(F)cnc(Cl)n2)CCC1	40
+CC(C)(C)OC(=O)N1CC(Nc2c3c(sc(Br)c3)c(cn2)C#N)CCC1	2500
+CC(C)(C)OC(N1CCCC(NC(c2c(N)ncc(Br)n2)=O)C1)=O	312
+CC(C)(C)OC(N1CCCC(Nc2c(F)cnc(-c3c4cc(cnc4n(S(=O)(=O)c5ccc(cc5)C)c3)Cl)n2)C1)=O	7445
+CC(C)(C)OC(N1CCCC(Nc2nc3ccc(cc3s2)Oc4ccnc(Cl)c4)C1)=O	2032
+CC(C)(C)OC(N1CCCC(C1)Nc2nc(nc(c2)C)N=C(Nc3ccc(c(c3)Cl)Cl)N)=O	7446
+CC(C)(C)OC(=O)N1CC(CCC1)Nc2c3nc(-c4c(cccc4)Cl)n(c3ncn2)-c5ccc(cc5)Cl	516
+CC(C)(C)OC(N1CC(CCC1)NC(=O)c2ccc(cc2)I)=O	93
+CC(C)(C)OC(N1CCCC(Nc2nc(-c3cnc4ccc(cn34)C#N)ncc2)C1)=O	7447
+CC(C)(C)OC(=O)N1CC(CC(CN=[N+]=[N-])C1)N2C(c3c(noc3C)-c4c(Cl)cccc24)=O	133
+CC(C)(C)OC(=O)N1CC(NC(OCc2ccccc2)=O)C(C(Nc3ccccc3)=O)C1	33
+CC(C)(C)OC(N1CC(NC(=O)c2ccc(s2)Cl)CC1CNC(=O)C)=O	68
+CC(C)(C)OC(=O)N1CC(NC(=O)OCc2ccccc2)C(CC1)N	18
+CC(C)(C)OC(=O)N1CCN(C(c2ccc(cc2)Cl)=O)C(C(=O)OC)C1	4171
+CC(C)(C)OC(N1CCC(C(O)C1)N)=O	18
+CC(C)(C)OC(=O)N1CC(OC)C(CC1)N=[N+]=[N-]	76
+CC(C)(C)OC(=O)N1CC(O)CC(C1)C(OC)=O	167
+CC(C)(C)OC(=O)C1N(CC(OS(=O)(=O)C)C1)C(=O)OC(C)(C)C	7
+FC(F)c1cc(Nc2cc(C)cc(-c3nnn(CC4OCCNC4)c3)n2)ncc1	2
+CC(C)(C)OC(N1CC(Cn2ncc(N)c2)OCC1)=O	209
+CC(C)(C)OC(=O)N1CC(Cn2ncc(Nc3ncnc(N4CCN(CC4)c5ncc(cn5)C#CC6CC6)n3)c2)OCC1	436
+c1cc(ccc1)C(c2ccccc2)=Nc3ncc(cc3)C4CN(C(=O)OC(C)(C)C)CCO4	4156
+CC(C)(C)OC(N1CCOC(c2cnc(Nc3ncc(Cl)cc3)cc2)C1)=O	346
+CC(C)(C)OC(N1CC(C(c2ccc(cc2)O)CC1)OCc3ccc4c(cccc4)c3)=O	1691
+CC(C)(C)OC(=O)N1CC(CC(N=[N+]=[N-])C1)C(OC)=O	298
+CC(C)(C)[Si](C)(C)OC1CN(C(OC(C)(C)C)=O)CC(CNc2c3nccnc3cc(Cl)n2)C1	1679
+CC(C)(C)OC(N1CC(O[Si](C)(C)C(C)(C)C)CC(C1)CN)=O	18
+O=S(=O)(c1ccccc1Cl)C2CC(NC2)C(OC)=O	4084
+CC(C)(C)OC(=O)N1c2c(c3c(cccc3)c(c2)NC(=O)OCC(SSc4ccccn4)C)C(CCl)C1	3929
+CC(C)(C)OC(=O)N1CC(CCl)c2c1cc(c3ccccc23)NC(=O)OCC4c5ccccc5-c6ccccc46	90
+CC(C)(C)OC(N1CC(CCl)c2c3cccnc3c(cc12)O)=O	321
+c1ccccc1COc2c3c(cccn3)c4c(NCC4CCl)c2	396
+c1ccccc1COc2c3c(cccn3)c4C(CCl)CN(C(=O)c5[nH]c6c(c5)cc(OCCN(C)C)cc6)c4c2	7448
+c12ccccc1[nH]cc2C3C(CNC3)c4c5cccc6CCCn(c4)c56	2
+CC(C)(C)OC(N1CC(OC)c2cc(ccc2C1)OCC3CC3)=O	76
+CC(C)(C)OC(N1CC(O)c2c(C1)ccc(O)c2)=O	16
+CC(C)(C)OC(=O)N1CC(c2c(ccc(OC)c2)C1)CO	21
+CC(C)(C)OC(N1CCC(c2ccc(cc2)B3OCC(CO3)(C)C)C1)=O	734
+c1cc(ccc1C2(CCNC2)O)Cl	2
+FC1(F)CCC(CC1)OC(Nc2ccc(cc2)C3CCNC3)=O	2
+c1ccccc1C2C(CNC2)CN3CCC4(CC3)CCN(Cc5ccc(cc5)Br)C4=O	2
+CC(C)(C)OC(=O)N1CC(CC1C)c2ccccc2	2836
+c1cc(ccc1)C2CNCCN2CC	2
+c1cc(ccc1-c2nn(C3CNCCC3)c4ncnc(N)c24)Oc5c(ccc(F)c5)F	2
+c1cc(ccc1-c2nn(C3CNCCC3)c4ncnc(N)c24)Oc5cccc(F)c5	2
+CC(C)(C)OC(=O)N1CC2(CC(C2)O)C1	100
+CC(C)(C)OC(=O)N1CC2(CC(C2)Nc3c(-c4ccc(cc4)Oc5ccccc5)c(N)ncn3)C1	4172
+CC(C)(C)OC(N1CC2(C1)CC(C2)Nc3c(cnc(-c4cccc(c4)-c5cn(nc5)C)n3)-c6cnn(C)c6)=O	261
+CC(C)(C)OC(N1CC2(CC(C2)n3cc(Br)cn3)C1)=O	1647
+C1C2(CN1C(OCC)=O)Oc3c(C(=O)C2)cc(cc3)C=CC(=O)OC	7449
+CC(C)(C)OC(=O)N1CC2(C1)OCc3c2cnc(C=O)c3	1406
+CC(C)(C)OC(N1CC2(CC(C2)Nc3c(Br)cnc(Cl)n3)C1)=O	40
+CC(C)(C)OC(N1CC2(C1)CC(C2)Nc3c(Cl)c(ncn3)N)=O	7450
+C1C2(CC1N3CCC(CC3)C(=O)OCC)CCNC2	2
+CC(C)(C)OC(N1CC2(C1)CC(C2)Nc3nc(ncc3-c4cn(C)nc4)Cl)=O	2420
+CC(C)(C)OC(N1CC2(C1)CC(C2)n3ncc(-c4cc(OC(C)c5c(ccc(F)c5Cl)Cl)c(nc4)N)c3)=O	4109
+CC(C)(C)OC(N1CCC(C2(CC2)C1)(O)c3ccc(cc3)Cl)=O	251
+CC(C)(C)OC(N1CC2(CCCC2)C(Nc3nc(ncc3C)Cl)C1)=O	40
+CC(C)(C)OC(=O)N1CC2(CCCC2)C(Nc3nc(Nc4cn(C)nc4)ncc3C)C1	486
+C1CC2CC(CC1N2C(OCC)=O)N3CCC4(CC3)c5c(CNC4)cccc5	2
+CC(C)(C)OC(N1CC2(CN(c3cnc(Oc4ccc(cc4)Oc5cc(ccc5)F)c(C(=O)N)c3)CC2)CC1)=O	2682
+c1cc(ccc1Oc2c(C(=O)N)cc(N3CCC4(C3)CCNC4)cn2)Oc5cc(ccc5)F	2
+CC(C)(C)OC(=O)N1CC2(CN(C2)C(NCc3ccc(cc3Cl)Cl)=O)C1	384
+CC(C)(C)OC(=O)N1CC2(CN(C2)C3CCN(CC3)Cc4ccccc4)C1	85
+c1c(cc2c(c1)N(CC23CNCC3)C(Nc4ncc(Cl)s4)=O)Br	2
+CC(C)(C)OC(N1CC2(c3cc(Br)ccc3N(C(Nc4ncc(Cl)s4)=O)C2)CC1)=O	2143
+CC(C)(C)OC(N1CC2C(C1)c3c(CO2)cc(O)cc3)=O	16
+FC(F)(F)C(=O)NCC1C2CC(C)CC2CN1C(=O)OC(C)(C)C	605
+FC(F)(F)c1ncc(nc1)NCC2CC3C(CN2)C3	2
+CC(C)(C)OC(=O)N1CC2C(CC(C2)N)C1	273
+FC(F)(F)c1ccc(NCC2CC3C(CN2)C3)nn1	2
+CC(C)(C)OC(=O)N1CC2CC(CCC2C1)=O	86
+C1C2CNCC2CN1C(c3c(-c4nnc[nH]4)cccc3)=O	2
+CC(C)(C)OC(=O)N1CC2N(C(Cc3c2cn[nH]3)C1)S(=O)(=O)c4ccc(cc4)Cl	7451
+CC(C)(C)OC(N1C(CNCc2ccccc2)C3C(CC(C3)C)C1)=O	110
+c1cc(ccc1)C2(C3CNCC3CC(C2)CC#N)O	2
+CC(C)(C)OC(N1CC2CC(CC(C1)N2S(=O)(=O)c3ccc(cc3)Cl)=O)=O	92
+CC(C)(C)OC(N1CC2CC(CC(C1)N2)=O)=O	25
+CC(C)(C)OC(N1CC2CC(C(C(C1)N2S(=O)(=O)c3ccc(cc3)Cl)C=O)=O)=O	7452
+CC(C)(C)OC(N1CC2CC(CC2C1)Nc3c(cnc(Nc4ccc5c(C)n(C)nc5c4)n3)Cl)=O	55
+C1C2C(CC1Nc3c(cnc(Nc4ccc5c(C)n(C)nc5c4)n3)Cl)CNC2	2
+CC(C)(C)OC(=O)N1CC2C(C1)CCC(Nc3c(cnc(n3)Cl)Cl)C2	40
+CC(C)NC(=O)CNC(=O)c1cc(N2C3CNC(C3)C2)ccc1[N+](=O)[O-]	2
+FC(F)(F)c1c(ncc(c1)-c2nc(N3CC4CC3C4)nc(N5CC6NCC5C6)c2)N	2
+CC(C)(C)OC(N1C(CN2C(c3ccccc3C2=O)=O)CC4CC4C1)=O	332
+CC(C)(C)OC(=O)N1CC2CN(CC(C1)O2)CCN(CCOc3ccc(cc3)C#N)C(=O)N(C)C	61
+CC(C)(C)OC(=O)N1CC2CN(CC(C1)O2)CCN(S(=O)(=O)C)CCOc3ccc(cc3)C#N	28
+C12CNCCN1C(COC2)=O	2
+c1cc(ccc1)C(=O)NC2=NC3(CNCC3CS2)c4cnccn4	2
+c1cc(ccc1CN2C3CC(C2)NC3)C(OC)=O	2
+CC(C)(C)OC(=O)N1CC2C(CC1)CN2C(c3cccc(F)c3-n4nccn4)=O	30
+CC(C)(C)OC(=O)N1CC2c3c(cc(c(c3)N)N)C(C1)C2	0
+CC(C)(C)OC(N1CCC(CC1)c2ccccc2C#N)=O	191
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C)cccc2F	191
+CN(c1ncc2c(c1)n(cn2)C)c3ccc(C4=CCNCC4)cc3CC	366
+C1=C(CCNC1)c2cc(ncn2)Nc3ccc4c(nccc4)c3	366
+n1cc(cnc1N2CCC(CC2)C3(Cc4cc(ccc4O3)C=5CCNCC=5)C)C6CC6	366
+c1cc(cc(-c2ncnc3c2cc(C4=CCNCC4)[nH]3)c1OC)F	366
+C1CN(CCC1Oc2sc3cc(C=4CCNCC=4)ccc3n2)c5nnc(C)s5	366
+C1CN(CCC1Oc2sc3cc(C=4CCNCC=4)ccc3n2)c5onc(C(C)C)n5	366
+CC(C)(C)OC(N1CC=C(CC1)c2cc(c(N(c3cc4n(C)cnc4cn3)C)cc2)CC)=O	1121
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)C(C)C(OC)=O	191
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc3c(OCC=4N3C(C)C(=O)NN=4)cc2	191
+CC(C)(C)OC(=O)N1CC=C(c2sc(nn2)-c3ccc(-n4cccn4)cc3OC)CC1	4173
+CC(C)n1c2c(c(C(NCc3c(nc(C)cc3C)O)=O)cc(n2)C=4CCNCC=4)cn1	366
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(-c3ccccc3F)cc4OCC5=NNC(=O)C(N5c4c2)C	191
+CC(C)(C)OC(N1CC=C(CC1)c2ccc(c(c2)CC)Nc3cc4c(cn3)ncn4C)=O	1504
+c1cc(ccc1)-c2nc(-c3c(N)ncc(C4=CCNCC4)n3)no2	366
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(-c3ncccn3)c(N)nc2	671
+C=1CNCCC=1c2cnc(cc2)[N+]([O-])=O	366
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc3ccc(c4OCC(c5ncccc5)n2c34)-c6c(noc6C)C	4174
+CC(C)(C)OC(N1CCC(CC1)c2ncc(C(=O)Nc3cn4c(cc3)nc(C)c4)cc2)=O	1676
+CC(C)(C)OC(=O)N1CCC(CC1)c2cnc(C(OC)=O)cn2	7453
+CC(C)(C)OC(N1CCC(c2cccc(N)c2)=CC1)=O	2144
+CC(C)(C)OC(N1CC=C(CC1)c2c(C#N)cccc2)=O	2144
+n1cc(cnc1N2CCOC(Cn3c4nc(-c5cn(C)nc5)cnc4nn3)C2)C=6CCN(CC=6)C	352
+CC(C)(C)OC(N1CCC(c2scc(C(O)=O)c2)=CC1)=O	6
+CC(C)(C)OC(N1CC(F)C(O)CC1)=O	100
+CC(C)(C)OC(N1Cc2nc(COc3ccccc3)oc2CC1)=O	7454
+CC(C)(C)OC(=O)N1CC(C(=O)C1)=CN(C)C	7455
+CC(C)(C)OC(N1CC(c2ccc(cc2)Cl)(CC1)O)=O	251
+CC(C)(C)OC(=O)N1CCC(C(O)C)C1	100
+CC(C)(C)OC(=O)N1CC(CC1)C(=O)C=CN(C)C	7456
+CC(C)(C)OC(N1CCC(C(C1)CO)OCOC)=O	95
+CC(C)(C)OC(N1CC(C(CC1)NC(=O)OCc2ccccc2)C(OCC)=O)=O	101
+c1(C(CCC2C(CNCC2)C(OC)=O)=O)c(cnc3ccc(OC)cc13)F	2
+CC(C)(C)OC(N1CCC(C(F)C1)NC(OCc2ccccc2)=O)=O	101
+CC(C)(C)OC(N1CCC(C(F)C1)NCc2ccccc2)=O	42
+CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])C(F)C1	298
+CC(C)(C)OC(=O)N1CC(C(CC1)NC(OCc2ccccc2)=O)OC	101
+CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccccc2)C(OC)C1	93
+CC(C)(C)OC(N1CCC(C(COc2ccc(cc2C#N)SCc3ccccc3)C1)c4ccc(cc4)Cl)=O	1524
+c1ccccc1COC(=O)NC2CCNCC2F	2
+CC(C)(C)OC(N1CCC(C(C1)F)N)=O	273
+CC(C)(C)OC(N1CC(C(CC1)N)N(C)C)=O	102
+CC(C)(C)OC(N1CCC(O)C(NC(COc2ccccc2)=O)C1)=O	68
+CC(C)(C)OC(N1CC(OCc2ccc3c(cccc3)c2)C(c4ccc(cc4)OCC=C)CC1)=O	149
+CC(C)(C)OC(N1C(c2cc(nc(-n3ccnc3)n2)C)C(C(=O)NC)CC1)=O	271
+CC(C)(C)OC(N1CC(C(CC1)c2cccc(c2)CO)OCc3cc(OCc4ccccc4)c5ccccc5c3)=O	98
+CC(C)(C)OC(=O)N1CC(CC1)CC(OCC)=O	456
+CC(C)(C)OC(N1CCC(Nc2nc(C=3NNC(=O)N=3)cc4ccc(Cl)cc24)C1)=O	4175
+n1c2ccccc2c(cc1-c3ccccc3O)NC4CNCC4	2
+FC(F)(F)c1ccccc1OC2CNCC2	2
+CC(C)(C)OC(N1CCC(c2nc3ccnn3c(c2)N)C1)=O	1994
+c12nnc(n1cc(cc2)F)C3CCNC3	2
+C[Si](C)(C)C#Cc1n(C2CCN(C2)C(=O)OC(C)(C)C)c3c(c(ncn3)N)c1-c4ccc(cc4)Oc5ccccc5	7457
+CC(C)(C)OC(N1CC(CC1)n2c3ncnc(N)c3c(-c4ccc(cc4)Oc5ccccc5)c2C#N)=O	7458
+[N-]=[N+]=NC1CCNC1C(NC(Cc2cc3c(cccc3)cc2)C(=O)OC)=O	255
+CC(C)(C)OC(=O)N1C(C(O)CC1)CO	21
+CC(C)(C)[Si](C)(C)OC1CCN(C(OC(C)(C)C)=O)C1C(O)=O	19
+C1CC12CNCCC2(O)c3ccc(cc3)Cl	2
+CC(C)(C)OC(N1CCC(CC1)(C#N)CCSc2ccc(cc2)SC)=O	7459
+CC(C)(C)OC(=O)N1CCC(CC1)(CC=O)C(OC)=O	1981
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3c(ncn2)cc(cc3)F	7460
+C1CNCCC1(c2ccc(cc2)Cl)C(C)(C)O	2
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)-c3ccccc3)C(O)=O	4
+CC(C)(C)OC(=O)N1CCC(CC1)(C)CO	95
+CC(C)(C)OC(=O)N1CCC(CC1)(C)CCN	51
+CC(C)(C)OC(=O)N1CCC(CC1)(C)C#C	1596
+FC(F)(F)CNCC1(CCN(CC1)C(=O)OC(C)(C)C)COCc2ccccc2	110
+CC(C)(C)OC(=O)N1CCC(CC1)(CO)CCC=C	95
+CC(C)(C)OC(N1CCC(CC1)(C#N)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1CCC(CC1)(F)CNC(=S)NC(=O)OCC2c3ccccc3-c4c2cccc4	7461
+CC(C)(C)OC(N1CCC(CC1)(c2ccc(cc2)I)CN(C(Nc3cc(Cl)cc(Cl)c3)=O)C)=O	326
+CC(C)(C)OC(=O)N1CCC(CC1)(F)CN2C(=O)c3c(C2=O)cccc3	332
+FC(F)(F)c1cc(cc(COCC2(CCN(CC2)C(OC(C)(C)C)=O)c3c(Br)cc(F)cc3)c1)-c4ccc(cc4)C#N	149
+C[Si](C)(C)CCOCn1nc2c(cc(F)cc2c1)C(C)OCC3(CCN(CC3)C(OC(C)(C)C)=O)c4ccc(cc4)F	7462
+C1CC(CCN1)(CO)c2ccc(cc2)SC	2
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(cc(c3)Br)F)=O	149
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(cc(Br)c3)-c4ccc(cc4)F)=O	149
+CC(C)(C)OC(=O)N1CCC(CC1)(C)CCC=C	2836
+C1CC(CCN1)(Cc2ccc(cc2)F)C#N	2
+CC(C)(C)OC(N1CCC(CC1)(O)Cc2nc(Nc3nccs3)ccc2)=O	4176
+CC(C)(C)OC(=O)N1CCC(CC1)(CO)NC(OCc2ccccc2)=O	101
+C1CNCCC1(CF)NC(OCc2ccccc2)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)(C#C)O[Si](C)(C)C	4177
+CC(C)(C)OC(N1CCC(CC1)(O)C#C)=O	1407
+CC(C)(C)OC(=O)N1CCC(CC1)(OC)C	76
+CC(C)(C)OC(=O)N1CCC(CC1)(Cn2c3c(nc2COCC)cnc4ccccc34)O	546
+CC(C)(C)OC(N1CCC(CC1)(O)CNc2c(N)cnc3c2cccc3)=O	13
+C1CC(CCN1)(O)Cc2nc(Nc3nccs3)ccc2	2
+CC(C)(C)[Si](C)(C)OC1(CCN(CC1)C(=O)OC(C)(C)C)c2[nH]c(-c3ccc(c(C)c3)F)cn2	19
+CC(C)(C)n1nc(cc1NC(C(C)NC(OCc2ccccc2)=O)=O)C3(CCNCC3)c4ccccc4	2
+CC(C)(C)OC(N1CCC(CC1)(C(C)(C)O)c2ccc(cc2)Cl)=O	736
+c1cc(ccc1I)C2(CCNCC2)CN(C(Nc3cc(Cl)cc(Cl)c3)=O)C	2
+CC(C)(C)OC(N1CCC(CC1)(CO)c2ccc(cc2)SC)=O	237
+C1CNCCC1(C#N)c2ncccc2	2
+CC(C)(C)OC(N1CCC(CC1)(c2cc3c(cnc(c3)-c4ccc(cc4)S(=O)(=O)C)o2)C)=O	140
+C1CC(CCN1)(O)c2scc(-c3c(c4c(N(C(C)CC4)C(OC)=O)cc3)OC5CCC5)n2	2
+CC(C)(C)OC(=O)N1CCC(CC1)=CC#Cc2cc(F)cc(F)c2	7463
+CC(C)(C)OC(N1CCC(CC1)CC#N)=O	3674
+CC(C)(C)OC(=O)N1CCC(CC1)(CC#N)n2nc(N)c(C(=O)N)c2	2525
+CC(C)(C)OC(N1CCC(CC1)Cc2nc3c(nc(Cl)nc3N4CCOCC4)cc2)=O	7464
+CC(C)(C)OC(=O)N1CCC(CC1)NCC(C)C	87
+CC(C)(C)OC(=O)N1CCC(=O)C(C(C(=O)OCC)=O)C1	3834
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(Oc3ccc(Br)cn3)ccc2	846
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(ccc2)Oc3ncc(C)cc3	846
+CC(C)(C)OC(=O)N1CCC2(CC1)OC2	2113
+CC(C)(C)OC(N1CC2(CC2)C(CC1)=O)=O	7465
+CC(C)(C)OC(N1CCC(CC1)(O)C#C[Si](C)(C)C)=O	7466
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cc(Cl)cc2)C=CC(=O)OCC)=O	231
+FC(F)(F)c1c(C2(CCN(CC2)C(=O)OC(C)(C)C)O)cccc1	251
+FC(F)(F)c1cc(c(cc1)Sc2ccc(cc2)Cl)C3(CCN(CC3)C(=O)OC(C)(C)C)O	251
+FC(F)(F)c1ccc2CCC(N3CCN(CC3C)C4(CCN(CC4)C(OC(C)(C)C)=O)C#N)c2c1	735
+FC(F)(F)c1nc(C2(CCN(CC2)C(=O)OC(C)(C)C)O)ccc1	938
+CC(C)(C)OC(=O)N1CCC(CC1)NC	87
+CC(C)(C)OC(N1CCC(CC1)N(C)C(c2ccc3c(non3)c2)=O)=O	7467
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(ccc2Cl)[N+]([O-])=O)=O	231
+CC(C)(C)OC(N1CCC(CC1)=CC#N)=O	1573
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(c([N+]([O-])=O)cc2F)F	846
+CC(C)(C)OC(=O)N1CCC(CC1)(O)c2c(F)cccc2C	251
+CC(C)(C)OC(=O)N1Cc2c3c([nH]c2CC1)cc(Br)cc3	518
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3cc(C#N)ccc3[nH]c2	888
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3c(ccc(c3)[N+](=O)[O-])[nH]c2	888
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3ccccc3[nH]c2	888
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(cc(C#N)cc2)Oc3c(Br)cccc3	231
+CC(C)(C)OC(N1CCC(CC1)(Cc2nc(Cl)ccc2)O)=O	7468
+CC(C)(C)OC(=O)N1CCC(CC1)NCCc2ccccc2[N+](=O)[O-]	87
+CC(C)(C)OC(N1CCC2(CC1)CC(=O)c3c(ccc(c3)Br)O2)=O	2003
+c1cc(ccc1)CN(Cc2ccccc2)C(COC(N3CCC(CC3)=O)=O)C	7469
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccc(cc2)F	231
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccc(cc2)SC	231
+CC(C)(C)OC(N1CCC2(CC1)Nc3c(C(=O)N2)sc(-c4ccncc4)c3)=O	3347
+CC(C)(C)OC(=O)N1CCC(CC1)N2CCN(C(OCc3ccccc3)=O)C(C2)C(=O)N4CCOCC4	85
+CC(C)(C)OC(=O)N1CCC(CC1)(O)c2ccc(cc2)Oc3ccccc3	1035
+CC(C)(C)OC(=O)N1CCC(CC1)=C	7470
+CC(C)(C)OC(=O)N1CCC(CC1)(O)c2nccn2C	7471
+CC(C)(C)OC(=O)N1CCC(CC1)C(=NO)N	609
+CC(C)(C)OC(N1CCC(CC1)(c2ncccc2)C#N)=O	4178
+CC(C)(C)OC(N1CCC(CC1)(Cc2ccc(cc2)F)C#N)=O	7472
+CC(C)(C)OC(N1CCC(CC1)C(=O)CC(=O)Cc2ccccc2)=O	3739
+CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(Nc3n2nc4cc(C)cc(c34)Br)=O	4179
+CC(C)(C)OC(=O)N1CCC(CC1)C=2n3c(c4c(cccc4n3)Br)NC(C=2)=O	4179
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(Cc3ccccc3)n(n2)CC	7473
+CC(C)(C)OC(=O)N1CCC(CC1)C=2n3nc4nccnc4c3NC(C=2)=O	7474
+C1CNCCC1C(N2CC(C(c3cc(c(Cl)cc3)Cl)C2)C(Oc4ccc(C#N)cn4)C)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNCc2ccc(cc2)Cl	15
+CC(C)(C)OC(=O)N1CCC(CC1)c2nnc(CCl)o2	1037
+C1CC(CCN1)C(Nc2cc(ncn2)-c3ccccc3OCC)=O	2
+CC(C)(C)OC(N1CCC(CC1)(C)C(OC)=O)=O	1389
+CC(C)(C)OC(=O)N1CCC(CC1)(C(OC)=O)Cc2ccc(cc2)F	1161
+CC(C)(C)OC(N1CCC(CC1)(C(OC)=O)Cc2ccc(cc2)-c3ccccc3)=O	1161
+CC(C)(C)OC(=O)N1CCC(CC1)(CCOc2ccccc2)C(OCC)=O	1232
+CC(C)(C)OC(=O)N1CCC(CC1)(C(OCC2CCCCC2)=O)Cc3ccc(cc3)C#N	1161
+C1CC(CCN1)C(C(=O)OCC)CC	2
+CC(C)(C)OC(N1CCC(CC1)C(O)CN2CCN(CC2)c3ccc(cc3)S(=O)(=O)C)=O	100
+C1CC(CCN1)C(=O)N2Cc3ccc(C(OC)=O)cc3OCC2C	2
+C1CNCCC1C(=O)N2CCC2	2
+c1cc(ccc1)CN2CCN(CC2)C(=O)C3CCNCC3	2
+CC(C)(C)OC(N1CCC(CC1)C(NNC(c2c(N)ncc(Br)c2)=O)=O)=O	2716
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc(C)nn2	1037
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc(-c3c(N)ncc(Br)c3)nn2	2145
+C1CC(CCN1C(=O)c2cc(c(C)cc2)NC(=O)C3CCNCC3)c4ccc(cc4)-c5cnn(c5)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)C(NCc2c(cccc2)C(F)(F)F)=O	9
+CC(C)(C)OC(=O)N1CCC(CC1)c2onc(n2)Cc3cccnc3	2584
+CC(C)(C)OC(N1CCC(CC1)C(NNC(C)=O)=O)=O	1038
+CC(C)(C)OC(N1CCC(CC1)C(=O)Nc2cc(ncn2)-c3ccccc3OCC)=O	142
+CC(C)(C)OC(N1CCC(CC1)C(=O)C2C(OC(OC2=O)(C)C)=O)=O	3363
+CC(C)(C)OC(=O)N1CCC(CC1)C(Nc2c(N)ccc(-c3c4ccc(F)cc4n(S(=O)(=O)c5ccccc5)c3)c2)=O	33
+CC(C)(C)OC(=O)N1CCC(CC1)C(Nc2ccc(c(Cl)c2)Cl)=O	33
+CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2Cc3cc(c(cc3CC2)OC)OC	10
+CC(C)(C)OC(N1CCC(CC1)C(N2C(C)COc3cc(C(OC)=O)ccc3C2)=O)=O	10
+CC(C)(C)OC(N1CCC(CC1)C(=O)N2CC(C(Oc3ccc(C#N)cn3)C)C(c4cc(c(Cl)cc4)Cl)C2)=O	10
+CC(C)(C)OC(=O)N1CCC(CC1)C(Nc2ccc(cc2)C(C)C)=O	33
+CC(C)(C)OC(N1CCC(CC1)C(Nc2c(ccc(C(=O)N3CCC(CC3)c4ccc(cc4)-c5cnn(C)c5)c2)C)=O)=O	33
+CC(C)(C)OC(N1CCC(CC1)C(=O)NCc2ccc(cc2)Cl)=O	9
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)COc3ccc(cc3)S(=O)(=O)C	1166
+CC(C)(C)OC(=O)N1CCC(CC1)C(Nc2c(C(N)=O)c(-c3ccccc3)ccc2)=O	33
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCN(CC3)C(OC(C)(C)C)=O)=O	9
+CC(C)(C)OC(N1CCC(CC1)C(F)CN2CCN(CC2)c3ccc(cc3)S(=O)(=O)C)=O	2124
+C1CC(CCN1)C(c2ccccc2)OC	2
+CC(C)(C)OC(=O)N1CCC(CC1)C(c2ccc(cc2)Br)O	74
+CC(C)(C)OC(=O)N1CCC(CC1)C(O)c2ccccc2	74
+CC(C)(C)OC(=O)N1CCC(CC1)C2C(C2)COCc3ncc(cc3)Br	1896
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CC(C(NCCC(OCC)=O)=O)CCC2)=O)=O	9
+CC(C)(C)OC(N1CCC(CC1)C=CC(=O)N2CC(C(O)=O)CCC2)=O	3
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CC(CCC2)C(=O)NCCC(O)=O)=O)=O	3
+C1CC(CCN1)C=CC(N2CC(CCC2)C(=O)NCCC(O)=O)=O	2
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CCCC(C2)C(NC(C#C)CC(=O)OCCCCC)=O)=O)=O	27
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CCCC(C2)C(NC(C#C)CC(=O)O)=O)=O)=O	3
+CC(C)(C)OC(N1CCC(CC1)CCc2cc3c(o2)ccc(S(=O)C)c3)=O	7475
+CC(C)(C)OC(N1CCC(CC1)C=Cc2oc3c(cc(cc3)S(=O)C)c2)=O	357
+CC(C)(C)OC(=O)N1CCC(CC1)CC#Cc2c3c(c(nc(CCCC)n3)N)n(COCc4ccccc4)c2	3885
+CC(C)(C)OC(N1CCC(CC1)CC(=NO)N)=O	609
+CC(C)(C)OC(N1CCC(CC1)CC(Nc2nccc(Oc3cc(Cl)c(cc3)N)c2)=O)=O	142
+CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)Nc2ccc(cc2)S(=O)(=O)C	33
+C1CC(CCN1)CC(C#N)NC(=O)C2CCCCC2NC(c3n(C)c4ccccc4c3)=O	2
+CC(C)(C)OC(N1CCC(CC1)CC(Nc2cc(Oc3ccc(NC(Oc4ccccc4)=O)c(Cl)c3)ccn2)=O)=O	90
+C1CNCCC1CC2CCN(CC2)C(C)C	2
+C1CNCCC1CC2CCN(CC2)C3CCC3	2
+C1CNCCC1CC2CCN(CC2)CC	2
+CC(C)(C)OC(N1CCC(CC1)CC2CCN(CC2)C(C)C)=O	2689
+CC(C)(C)OC(N1CCC(CC1)CC2CCN(CC2)CC)=O	183
+FC(F)(F)c1ccc(cc1)C=CCC2CCN(CC2)C(=O)OC(C)(C)C	3386
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCN	51
+CC(C)(C)OC(=O)N1CCC(CC1)CCCN2C(=O)c3c(N=C2C)c(OC)ccc3	7476
+CC(C)(C)OC(N1CCC(CC1)CCCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1CCC(CC1)CCCOc2cc(ccc2)CC(=O)OC	20
+CC(C)(C)OC(N1CCC(CC1)CCCC#N)=O	300
+CC(C)(C)OC(N1CCC(CC1)CCI)=O	343
+CC(C)(C)OC(=O)N1CCC(CC1)CCOc2cc(F)cc(Nc3ccc(I)cc3F)c2[N+](=O)[O-]	57
+CC(C)(C)OC(N1CCC(CC1)CCc2oc3ccc(cc3c2)S(=O)(=O)C)=O	2146
+C1CNCCC1CCc2noc3c(CO)c(ccc23)OCC4CC4	2
+CC(C)(C)OC(N1CCC(CC1)CN2CCC(CC2)CNC(C3=Cc4c(C)cccc4N(C3=O)C(C)C)=O)=O	183
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(ncc2[N+]([O-])=O)Nc3ncc(C#N)nc3	2785
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(ncc2Cl)Nc3ncc(C#N)nc3	7477
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ncc(cn2)-c3ccc(cc3)S(=O)(=O)C	537
+CC(C)(C)OC(=O)N1CCC(CC1)COc2c([N+]([O-])=O)cnc(Br)c2	260
+CC(C)(C)OC(=O)N1CCC(CC1)COS(=O)(=O)c2ccc(cc2)C	1293
+CC(C)(C)OC(=O)N1CCC(CC1)COc2ccc3c(ncnc3Nc4[nH]nc(c4)CC(Nc5c(c(F)ccc5)F)=O)c2	126
+CC(C)(C)OC(N1CCC(CC1)COc2c3c(cccc3)c(Cl)cc2C(NC(C)(C(=O)OCC)CC)=O)=O	20
+CC(C)(C)OC(=O)N1CCC(CC1)COc2ccc(nc2)Cl	981
+CC(C)(C)OC(=O)N1CCC(CC1)COS(=O)(=O)c2ccc(cc2)C	36
+C1CNCCC1COC2CC2	2
+C1CC(CCN1)COCCN2CCCC2	2
+CC(C)(C)OC(N1CCC(CC1)COc2cc(Nc3cnc(C#N)cn3)ncc2N)=O	13
+C1CNCCC1COc2c(C(NC(C)(C(=O)OCC)CC)=O)cc(Cl)c3ccccc23	2
+C1CC(CCN1)COc2c3ccccc3nc(c2)C	2
+CC(C)(C)OC(N1CCC(CC1)COc2cc(ncc2NC(=O)CN(C)C)Nc3cnc(C#N)cn3)=O	469
+CN(C)CC(=O)Nc1c(cc(nc1)Nc2cnc(C#N)cn2)OCC3CCNCC3	2
+C1CN(CCO1)c2nc(Cl)nc3ccc(CC4CCNCC4)nc23	2
+FC(F)(F)C(N(C1CCNCC1)C2CC2)=O	2
+C1CNCCC1N(C)CCc2ccc(cc2)Oc3ccccc3	2
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CCCCC2)CC=O	378
+CC(C)(C)OC(N1CCC(CC1)N(C2CCCCC2)CC(N(OC)C)=O)=O	978
+CC(C)(C)OC(N1CCC(CC1)N2C(COC3CCCCC23)=O)=O	467
+c1cc(ccc1[N+]([O-])=O)CN(C2CCNCC2)C(c3ccc(cc3)CCCCC)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c2cc(ccc2)OC(C)(C)C(OCC)=O	14
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(c(cn2)Cl)-c3cnc(n3C(C)C)C)=O	96
+CC(C)(C)OC(N1CCC(CC1)NC(=O)N2Cc3c(C(=O)N)c(nn3CC2)-c4cccc(F)c4)=O	1893
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccncc2[N+](=O)[O-]	105
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(nc(n2)OC)Cl)=O	387
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)C(OC(C)(C)C)=O)=O	282
+FC(F)(F)c1nnc(cc1)NC2CCN(CC2)C(OC(C)(C)C)=O	232
+CC(C)(C)OC(=O)N1CCC(CC1)NC(c2ccc(cc2)Nc3ncc4c(n3)N(CC(F)(F)C(N4C)=O)C5CCC5)=O	14
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(c(F)cc2[N+](=O)[O-])C)=O	60
+CC(C)(C)OC(N1CCC(CC1)Nc2c(c(F)cc(c2)OC)[N+](=O)[O-])=O	60
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ncc(c(c2)I)Cl	182
+CC(C)(C)OC(=O)N1CCC(CC1)NCc2cc(ccc2F)-c3ccnc(Cl)n3	42
+CC(C)(C)OC(N1CCC(CC1)NS(=O)(=O)c2ccc(cc2CBr)Br)=O	71
+CC(C)(C)OC(N1CCC(CC1)Nc2ncc(C(c3ccccc3OC)=O)c(n2)N)=O	7478
+CC(C)(C)OC(N1CCC(CC1)Nc2ncnc3n(S(=O)(=O)c4ccc(cc4)C)ccc23)=O	974
+CC(C)(C)OC(N1CCC(CC1)Nc2ccc(C)cc2[N+](=O)[O-])=O	60
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(c(Cl)cc2[N+]([O-])=O)OC)=O	60
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c([N+](=O)[O-])cc(Br)cn2	340
+CC(C)(C)OC(N1CCC(CC1)Nc2c([N+](=O)[O-])c(F)cc(c2)C3CC3)=O	60
+CC(C)(C)OC(N1CCC(CC1)NC(=O)Nc2c(c(c(cc2I)C)F)F)=O	282
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccc(C(=O)c3c(F)cccc3)c(N)n2	70
+CC(C)(C)OC(=O)N1CCC(CC1)NCC(COc2ccccc2)O	122
+CC(C)(C)OC(N1CCC(CC1)Nc2c([N+]([O-])=O)cnc3c2ccn3S(=O)(=O)c4ccccc4)=O	2048
+CC(C)(C)OC(N1CCC(CC1)NC(=O)Cc2ccc(cc2)C#N)=O	9
+CC(C)(C)OC(N1CCC(CC1)NC(Cc2ccc(cc2)Cl)=O)=O	9
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4c(c(ncn4)NC5CCN(CC5)C(=O)OC(C)(C)C)c3	40
+CC(C)(C)OC(N1CCC(CC1)Nc2oc(-c3ccc(cc3)F)cn2)=O	7479
+CC(C)(C)OC(=O)N1CCC(CC1)NCc2ccc(cc2)[N+]([O-])=O	42
+CC(C)(C)OC(N1CCC(CC1)NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)=O	71
+CC(C)(C)OC(=O)N1CCC(CC1)NCC(COc2ccncc2)O	122
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(ccn2)N(C)c3cc4n(C)cnc4c(c3)-c5ccccc5)=O	306
+CC(C)(C)OC(=O)N1CCC(CC1)NCc2ccccc2	42
+CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c2n(Cc3cc(on3)-c4ccc(Cl)s4)c5c(cccc5)c2	81
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2nc(nc3ccccc23)Cl	40
+CC(C)(C)OC(=O)N1CCC(CC1)NCc2c3c(nc(n3CC)-c4c(N)non4)cnc2	2590
+CC(C)(C)OC(N1CCC(CC1)N2C(c3c(cc(n3C(C)C)-c4c(OC)nc(nc4)OC)C2=O)c5ccc(cc5)Cl)=O	7480
+C1CC(CCN1)N2C(=O)COC3C2CCCC3	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(c3c(N(Cc4onc(CC)n4)C2=O)cc(-c5ccc(F)c(F)c5)s3)=O	268
+CC(C)n1c(cc2C(N(C3CCNCC3)C(c4ccc(cc4)Cl)c12)=O)-c5c(OC)nc(nc5)OC	2
+C1CC(CCN1)N2C(C(Oc3cc(F)c(S(=O)(=O)C)cc3F)CC2)=O	2
+C1CNCCC1N2CCC3(CC2)OC(Nc4ccccc34)=O	2
+C1CC1CN2CCN(CC2)C3CCNCC3	2
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2)=O	7481
+c1cc(ccc1C#N)CC(NC2CCNCC2)=O	2
+C1CC(CCN1)NC(N2Cc3c(C(=O)N)c(nn3CC2)-c4cccc(F)c4)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(Nc3c(c(F)c(cc23)C)F)=O	7482
+C1CC(CCN1)NC(Cc2ccc(cc2)Cl)=O	2
+CC(C)(C)OC(N1CCC(CC1)NC2CCCCC2O)=O	118
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CC2)C(=O)c3ncn(-c4ccc(cc4)S(=O)(=O)C)c3	777
+CC(C)(C)OC(=O)N1CCC(CC1)N(C(=O)c2ncn(-c3c(cc(cc3)C#N)F)n2)C4CC4	2090
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CCC(CC2)C)C(Nc3sc(cn3)C=O)=O	7483
+CC(C)(C)OC(N1CCC(CC1)N(C2CCCCC2)CC(OCC)=O)=O	7484
+C1CNCCC1NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(c(N4CCOCC4)nc(-n5c6cccc(c6nc5C(F)F)OC)n3)nn2	4180
+CC(C)(C)OC(=O)N1CCC(CC1)n2c(nc3c2ccc(C)c3)-c4ccccc4	1301
+CC(C)(C)OC(=O)N1CCC(CC1)N2c3c(NC2=O)cc(c(OC)c3)Cl	7485
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(C3CC3)cc(F)c2N)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cnc3n(ccc23)S(=O)(=O)c4ccccc4)N)=O	13
+CC(C)(C)OC(N1CCC(CC1)Nc2c(c(cc(OC)c2)F)N)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2ccc(cc2CCC(OCC)=O)Cl)=O	159
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(ccc2SCCI)[N+]([O-])=O)=O	343
+C1CCCC1CC(=O)Nc2cnc3n(ccc3c2NC4CCNCC4)S(=O)(=O)c5ccccc5	2
+CC(C)(C)OC(N1CCC(CC1)Nc2cccc3c2ccnc3NCc4ccc(cc4)OC)=O	70
+C1CC(CCN1)Nc2cccc3c2ccnc3N	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(Nc3c2cc(C4CC4)cc3F)=O	1019
+CC(C)(C)OC(N1CCC(CC1)Nc2c(N)cc(Cl)c(OC)c2)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cc(c(c2)C)F)N)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2c(N)cc(C)cc2)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cc(cc2)Cl)CCC(=O)O)=O	3
+CC(C)(C)OC(N1CCC(CC1)Nc2c3ccnc(c3ccc2)N)=O	755
+CC(C)(C)OC(N1CCC(CC1)Nc2ccccc2CN)=O	45
+CC(C)(C)OC(N1CCC(CC1)Nc2ccccc2CN3C(c4c(cccc4)C3=O)=O)=O	2397
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3nc(Cl)nc(N4CCOCC4)c3nn2	4180
+C1CNCCC1Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2	2
+C1CC(CCN1)Nc2ncc(Cl)c(-c3cnc(n3C(C)C)C)n2	2
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(Cl)nc(N3CCOCC3)c2N)=O	193
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(nc(c2[N+]([O-])=O)N3CCOCC3)-n4c5c(c(ccc5)OC)nc4C(F)F)=O	1098
+CC(C)(C)OC(N1CCC(CC1)Nc2c(N)c(N3CCOCC3)nc(n2)-n4c(C(F)F)nc5c4cccc5OC)=O	193
+C1CC(CCN1)Nc2nc3c(ccc(OCC#N)c3)o2	2
+C1CC(CCN1)Nc2ncc(C(c3ccccc3OC)=O)c(n2)N	2
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(ccn2)C(=O)O)=O	1
+C1CNCCC1Nc2ncnc3n(S(=O)(=O)c4ccc(cc4)C)ccc23	2
+CC(C)(C)OC(N1CCC(CC1)Nc2nnc(o2)-c3c(cc(Nc4cc5c(ncs5)cc4)nc3)NC(C)C)=O	201
+C1CNCCC1Nc2nnc(o2)-c3c(cc(Nc4cc5c(ncs5)cc4)nc3)NC(C)C	2
+CC(C)(C)OC(N1CCC(CC1)Nc2nc3c(ccc(OCC#N)c3)o2)=O	489
+C1CC(CCN1)Nc2nc3c(cccc3[N+](=O)[O-])o2	2
+C1CNCCC1OC(Nc2ccccc2C3CCCCC3)=O	2
+C1CNCCC1OCCCCCOC	2
+C1CNCCC1Oc2c(F)c(C(Nc3ccc(cc3)C#N)C(=O)OCC)cc(OCC)c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(N(c3c(cc(C#N)cc3)F)C=C2)=O	4181
+C1CNCCC1Oc2cc3n(-c4cc(OC(C)c5ccccc5Cl)c(C(OC)=O)s4)cnc3cc2	2
+C1CNCCC1Oc2ccc(cc2)N3C(C)=Nc4ccccc4C3=O	2
+c1cc(ccc1N2CCN(C(OCc3ccccc3)=O)CC2=O)OC4CCNCC4	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)NC(=O)C3CNC3	62
+FC(F)(F)Oc1ccc(cc1)OC2CCNCC2	2
+CC(C)(C)OC(N1CCC(CC1)Oc2ncc(N)c3ccccc23)=O	13
+C1CC(CCN1)Oc2ncc(-c3ccc(cc3)F)cc2	2
+CC(C)(C)OC(N1CCC(CC1)Oc2nnc(c(-c3cc(-c4occn4)c(cc3)OC5CCCCC5)c2)CCCC)=O	7486
+CC(C)(C)OC(=O)N1CCC(CC1)Sc2ncnc(Cl)c2C	2147
+c1cc(ccc1F)Nc2nc(cs2)CSc3c(c(C4CCNCC4)c(c(N)n3)C#N)C#N	2
+CC(C)(C)OC(N1CCC(CC1)c2c(C#N)c(nc(N)c2C#N)SCc3nc(sc3)Nc4ccc(cc4)F)=O	2837
+CC(C)(C)OC(=O)N1CCC(CC1)c2ncc(cc2)Nc3nc(c(C)cn3)C#Cc4ccccc4CC(OC)=O	949
+C1CC(CCN1)c2ccccc2C#N	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(COS(=O)(=O)C)cccc2	710
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(COc3ccc(cc3)S(=O)(=O)C)cs2	2088
+C1CNCCC1c2nc(cs2)C#Cc3c4c(ccc3)cccc4	2
+C1C(CC1)N2CCc3c(CC2)sc(n3)C4CCNCC4	2
+C1CC(CCN1)c2ccc(cn2)C(=O)Nc3cn4c(cc3)nc(C)c4	2
+CC(C)(C)OC(N1CCC(CC1)c2scc(n2)C#C[Si](C)(C)C)=O	4182
+C1CNCCC1n2c(Sc3c(cc4OCOc4c3)Br)nc5c(ncnc25)N	2
+CC(C)(C)OC(N1CCC(CC1)n2ncc(Nc3ncc(C(F)(F)F)c(n3)CCc4c(C(C(=O)N)C)cccc4)c2)=O	801
+C1CNCCC1n2ncc(c2)-c3c(c4c(cc3)N(C(C)CC4)C(OC)=O)OCCC	2
+C1CC(CCN1)n2cc(cn2)Nc3nc(CCc4ccccc4C(C(=O)N)C)c(Cl)cn3	2
+C1CC(CCN1)n2ncc(Nc3nc(CCc4ccccc4C5(CC5)C(N)=O)c(cn3)C)c2	2
+FC(F)(F)c1cnc(nc1CCc2c(C(C(=O)N)C)cccc2)Nc3cnn(c3)C4CCNCC4	2
+C1CC(CCN1)n2ncc3cc(OCC(NCC(O)CN4Cc5c(cccc5)CC4)=O)ccc23	2
+CC(C)(C)OC(=O)N1CCC(CC1C(=O)OC2CCCC2)NCc3ccccc3	87
+FC(F)(F)C(=O)N(C1CC(NCC1)Cc2ccccc2)Cc3c4c(cccc4)ncc3	2
+c1cc(ccc1Br)C(=O)N(C2C(CNCC2)c3ccc(c(c3)Cl)Cl)C	2
+CC(C)(C)OC(N1CC(N(C)c2c3ccccc3cc(C=4NC(=O)NN=4)n2)CC1)=O	7487
+CC(C)(C)OC(=O)N1CCC(CC1C(=O)OC)N	18
+c1ccccc1COC(NC2C(NC(c3ccc(cc3)N4C=CC=CC4=O)=O)CN(C)CC2)=O	352
+CC(C)(C)OC(N1CC(NC(=O)COCCO)CC1)=O	118
+CC(C)(C)OC(N1CCC(NC(=O)OCc2ccccc2)C(C1)NC(c3ccc(cc3)N4C=CC=CC4=O)=O)=O	93
+c1ccccc1COC(NC2CCNC2)=O	2
+CC(C)(C)OC(N1CCC(Nc2c3c(ccc(F)c3)cc(C(N)=NN)n2)C1)=O	2838
+CC(C)(C)OC(N1CCC(Nc2nc(cc3cccc(c23)Cl)C(=NN)N)C1)=O	2838
+CC(C)(C)OC(N1CCC(C1)Nc2c3cc(Cl)ccc3cc(C(N)=NN)n2)=O	2838
+c1cncc2cccc(NC3CNCC3)c12	2
+CC(C)(C)OC(N1CC(Nc2c3c(Cl)cccc3cc(n2)C=4NNC(=O)N=4)CC1)=O	4175
+CN(C)c1nc(nc2c3c(cccc3)sc12)NC4CCNC4	2
+C1CCCCC1Oc2ccc(cc2)-c3cc(OCC4CNCCC4O)nnc3CCCC	2
+CC(C)(C)OC(=O)N1CC(C(OC)CC1)COc2nnc(CCCC)c(-c3ccc(cc3)OC4CCCCC4)c2	76
+CC(C)(C)OC(N1CCC(=O)C(C1)NC(=O)COc2ccccc2)=O	86
+c1ccccc1C(=O)OC2C(F)CNCC2	2
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OC3CCN(C(OC(C)(C)C)=O)C3	624
+CC(C)(C)OC(=O)N1CCC(Oc2ccc(cc2)F)C1	624
+C1CCCN(CC1)C(=O)c2csc(c2)C3=CCNCC3	366
+CC(C)(C)OC(N1CCC(c2ccc(cc2)-c3c(cc4c(c(C=O)c[nH]4)c3)Cl)C1)=O	749
+CC(C)(C)OC(N1CC(CC1)c2ccc(cc2)N=C=O)=O	861
+c1cc(ccc1C2CCNCC2(F)F)OCc3ccccc3	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(N)ccc2	191
+CC(C)(C)OC(N1CCC1COc2cnc(Cl)c(c2)CC)=O	1661
+CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(C)CC2	782
+C1CNCCC12CC(c3cccc(c23)Br)C(C(OCC)=O)C	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CC=C(c3ccccc23)C(=O)O	127
+CC(C)(C)OC(N1CCC2(CCC(CC2)N(C)c3nc(Cl)ncc3C)CC1)=O	54
+CC(C)(C)OC(N1CCC2(CC1)CCC(CC2)Nc3nc(ncc3Cl)Nc4ncn(c4)C)=O	7488
+CC(C)(C)OC(=O)N1CCC2(CC1)C(N(CCC2)Cc3cn(c4ccccc34)S(=O)(=O)c5ccc(cc5)C)=O	7489
+CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(Cc3c(cccc3)-n4nccn4)CCC2	806
+CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c3ccc(c(C)n3)S(=O)(=O)C)C2	361
+CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(c3ccc(cc3)-c4oc5c(C(C)C)cc(C#N)cc5n4)=O)C2	30
+CC(C)(C)OC(N1CCC2(CC1)COc3cc(ccc23)OCc4c(Cl)cccc4Cl)=O	657
+CC(C)(C)OC(=O)N1CCC2(CC1)CCCC(=O)N2Cc3cccc4n(S(=O)(=O)c5ccc(cc5)C)ccc34	7490
+CC(C)(C)OC(=O)N1CCC2(CC1)NC(C(N2Cc3ccccc3)=O)Cc4ccccc4	4183
+c1cc(ccn1)-c2sc3C(=O)NC4(CCNCC4)Nc3c2	2
+C1CC2(CCN1)OCC(F)(F)c3c2sc(Cl)c3	2
+CC(C)(C)OC(N1CCC2(CC1)CC(C(O)=O)=NO2)=O	3
+C1CNCCC12CC(=O)c3c(O2)ccc(C=CC(=O)OC)c3	2
+CC(C)(C)OC(N1CCC2(CC1)Oc3c(C(C2)=O)cc(C=CC(O)=O)cc3)=O	127
+C1CC2(CCN1CCc3cc(ccc3)OC)CC(c4cc(ccc4O2)C=CC(=O)OC)=O	2587
+C1CC2(CCN1CCCc3ccccc3)CC(c4cc(ccc4O2)C=CC(=O)OC)=O	2587
+C1CNCCC12c3c(cccc3)C(C(N(C)C)=O)=CC2	2
+CC(C)(C)OC(N1CCC2(CC1)c3n(c(cc3)C#N)-c4c(cc(COC(C)=O)cc4)O2)=O	283
+C1CNCCC12c3ccc(n3-c4c(O2)cc(COC(C)=O)cc4)C#N	2
+CC(C)(C)OC(N1CCC2(CCC(CC2)N)CC1)=O	316
+CC(C)(C)OC(N1CCC2(CC1)CCC(CC2)NC)=O	87
+C1CC2(CCN1)CCC(CC2)C(OC)=O	2
+CC(C)(C)OC(N1CCC2(CCC(CC2)N(C)c3nc(ncc3C)Nc4cn(C)nc4)CC1)=O	486
+C1CC2(CCC1N(C)c3nc(ncc3C)Nc4cn(C)nc4)CCNCC2	2
+CC(C)(C)OC(N1CCC2(CC1)CCC(CC2)Nc3nc(ncc3Cl)Cl)=O	40
+CC(C)(C)OC(N1CCC2(CCC(CC2)OCCO)CC1)=O	237
+CC(C)(C)OC(N1CCC2(CCC(CC2)OCCOS(=O)(=O)C)CC1)=O	7
+CC(C)(C)OC(N1CCC2(CCC(CC2)OCCn3cncc3)CC1)=O	1193
+C1CNCCC12CCC(CC2)OCCn3cncc3	2
+c1cc(ccc1)CN2CCC3(CCC2)Oc4c(cc(cc4)C=CC(=O)OC)C(C3)=O	7491
+C1C2c3c4N(C2CCN1)CCCc4cc(c3)-c5c(c(Cl)ccc5)Cl	2
+C1CCC(C1)N2C3C(C(c4c5c([nH]c4)cc(cc5)F)C2)NCC3	2
+CC(C)(C)OC(N1C2C(CC1)CN(C(=O)OCc3ccccc3)C2)=O	613
+CC(C)(C)OC(N1CCC2C(c3c4N2CCCc4cc(-c5cccc(Cl)c5Cl)c3)C1)=O	11
+CC(C)(C)OC(=O)N1C2CN(C2CC1)c3nc(c(C(=O)OCC)s3)C	641
+c1cc(ccc1F)-n2ncc3c2C=C4C(C(c5ccccn5)=O)(CNCC4)C3	2
+c1cc(ccc1F)-n2c3C=C4CCNCC4(COCC)Cc3cn2	2
+C1CC1COCC23CN(S(=O)(=O)c4ccc(cc4)Br)CCC2=Cc5n(ncc5C3)-c6ccc(cc6)F	7492
+C1CCCN1C(C2CCCNC2)=O	2
+CC(C)(C)OC(=O)N1CC(CCC1)C(=O)c2cc(cc(Cl)c2)F	586
+CC(C)(C)OC(=O)N1CC(CCC1)C(=O)c2cc(Cl)ccc2	586
+CC(C)(C)OC(=O)N1CC(CCC1)C(=O)c2cc(F)ccc2C	586
+CC(C)(C)OC(N1CC(CCC1)C(=O)c2ccccc2Oc3ccccc3)=O	7493
+Clc1cccc(c1)C(CCCCOC)(C2CCCNC2)OC	2
+c1c(Cl)c(c(cc1)Cl)-c2n(CC3CCCNC3)c4nc(NCc5ccc(F)c(F)c5)ncc4c2Br	2
+CC(C)(C)OC(=O)N1CCCC(Nc2c(c(OC)nc(N3CCOCC3)n2)I)C1	1154
+CC(C)(C)OC(=O)N1CC(CCC1)Nc2c(c(OC)nc(n2)SC)I	1154
+c1cc(cc(c1Cl)Cl)N=C(N)Nc2nc(cc(n2)C)NC3CCCNC3	7494
+c1ccccc1COC(C(C)(C)Oc2cccc(C3CCCNC3)c2)=O	2
+CC(C)(C)OC(=O)N1CC(CCC1)c2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2	4184
+c1cc(ccc1)COC(=O)N2CCN(CC2)CC3CCCNC3	2
+c1ccccc1COC(NCC2CNCCC2)=O	2
+CC(C)(C)OC(N1CC(CCC1)CNc2nc(ncc2N)NCc3cc(c(F)cc3)F)=O	193
+C1C(CCCN1)(COC)Cc2c(F)cccc2	2
+CC(C)(C)OC(N1CCCC(NC(=O)c2c(ncc(n2)-c3cc(ccc3)CO)N)C1)=O	356
+CC(C)(C)OC(N1CCCC(Nc2c(cnc(-c3c[nH]c4ncc(cc34)Cl)n2)F)C1)=O	392
+c1cc(ccc1C)S(=O)(=O)n2c3ncc(cc3c(-c4ncc(F)c(NC5CNCCC5)n4)c2)Cl	2
+Clc1cnc2[nH]cc(-c3nc(c(cn3)F)NC4CNCCC4)c2c1	2
+n1c2ccc(C#N)cn2c(-c3nccc(n3)NC4CNCCC4)c1	2
+C1CCN(C1)CCOc2nc(nc(NC3CCCNC3)c2)-c4cnc5n4cc(F)cc5	2
+c1cc2c(sc(NC3CCCNC3)n2)cc1Oc4cc(-c5cnn(C)c5)ncc4	2
+CC(C)(C)OC(N1CCCC(Nc2nc3ccc(cc3s2)Oc4cc(ncc4)-c5cnn(C)c5)C1)=O	1396
+CC(C)(C)OC(N1CCCC(c2nc(N)nc(-c3c(O)cccc3O)c2)C1)=O	16
+CC(C)(C)OC(N1c2c(cc(Br)cc2)C(C(CC1)C(=O)OC)=O)=O	1985
+CC(C)(C)OC(N1CCCC(c2cc(-c3c(cccc3O)OCc4ccc(cc4)C)nc(N)n2)C1)=O	22
+CC(C)(C)OC(N1CCCC1(Cc2ccc(cc2)-c3ccc(F)cn3)C(NCC(=O)CC(C)(C)CC)=O)=O	86
+CC(C)(C)OC(N1CCCC1(C(=O)NCC(CC(C)(C)CC)O)Cc2ccc(cc2)-c3ccc(F)cn3)=O	4185
+CC(C)(C)OC(=O)N1CCCC1(c2nc(CC(C)(C)CC)c[nH]2)Cc3ccc(cc3)-c4ccc(F)cn4	4186
+CC(C)(C)OC(N1C2(CCC1)CN(CC2)c3ccc([N+]([O-])=O)c(OC(C)C)c3)=O	34
+CC(C)(C)OC(=O)N1C(CCC1)c2cc3c(o2)cc(Cl)c(Cl)n3	7495
+c1cc(ccc1Cl)-c2cccc(NC(C3NCCC3)=O)c2	255
+c1cc(ccc1Cl)-c2cccc(NC(=O)C3CCCN3C(=O)C(NC(=O)OC)C(C)C)c2	2654
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)Oc3ccc(cc3)-c4cnccc4)=O	754
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCc3ccc(cc3)C(F)(F)F)=O	22
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCC#Cc3ccc(cc3)Br)=O	121
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)O)=O	16
+CC(C)(C)OC(N1C(c2sc(-c3nc4cccc(c4[nH]3)C(N)=O)cc2)CCC1)=O	7496
+CC(C)(C)OC(N1CCCC1c2ccc(s2)C(O)=O)=O	1
+CC(C)(C)OC(=O)N1CCCC2CNCC12	25
+CC(C)(C)OC(N1CCCCC1C(NC(CC)C=CC(O)=O)=O)=O	127
+CC(C)(C)OC(=O)N1C(CCCC1)C(NC(Cc2ccc(nc2)Br)C#N)=O	143
+CC(C)(C)OC(=O)N1CCCCC1C(=O)NC(C=CC(=O)N2CCc3c2cccc3)CC	7497
+CC(C)(C)OC(=O)N1C(Cc2oc3ccccc3n2)CCCC1	1692
+CC(C)(C)OC(=O)N1C(CCCC1)CCOc2c(c(O)nc3c2cc([N+]([O-])=O)c(Cl)c3)-c4cc(C)cc(C)c4	1175
+FC(F)(F)c1ccn2cc(nc2c1)CC3CCCCN3	2
+o1c(-c2cc(ccc2)C#N)cc(C3NCCCC3)n1	2
+Clc1cccc(c1)-c2onc(C3NCCCC3)c2	2
+CC(C)(C)OC(=O)N1CCCN(CC1)c2nc(cc3ccccc23)C(=O)c4c(nccc4)F	7498
+CC(C)(C)OC(N1CCCN(c2nc3ccccc3n2CCn4ccnc4)CC1)=O	1193
+c1ccccc1COC(=O)N2CCNCC2C(Nc3ccc(cc3)Cl)=O	2
+O=S(=O)(N1C(C(OCC)=O)CNCC1)c2ccc(cc2)OCC#CC	2
+C1(C(=O)OCC)N(CCc2ccc3c(c2)OCCO3)CCNC1	2
+CC(C)(C)OC(N1CC(N(CC1)CCOCCO)CN)=O	51
+C1N(CC1C(=O)N2CCNCCC2)C(=O)c3cnc(C)cc3	2
+CC(C)(C)OC(N1CCN(C(C2CN(C2)C(c3ccc(nc3)C)=O)=O)CCC1)=O	1558
+c1ccccc1COC(N2CCNCC2C(N(C)OC)=O)=O	2
+c1cc(ccc1)COC(N2C(CNCC2)c3ccccc3)=O	2
+CC(C)(C)OC(N1CCN(CC1C(=O)c2oc3ccccc3c2)C)=O	7499
+CC(C)(C)[Si](C)(C)OCC1CN(CCN1C2COC2)C(OC(C)(C)C)=O	19
+C1CN(CCN1)C(C2N(CCCC2)C)=O	2
+C1CN(CCN1)C(=O)C2Cc3c(ccc(Cl)c3)O2	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2oc(nn2)C3CCC4N(C(=O)N3C4)OCc5ccccc5	7500
+C1CNCCN1C(Nc2noc3c2cccc3)=O	2
+FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N4CCNCC4)cn1	2
+c1cc(ccc1S(=O)(=O)NCC(C(=O)OC)(C(=O)OC)N2CCNCC2)OCC#CC	2
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(OC)=O)(C(OC)=O)CN	45
+CC(C)(C)OC(N1CCN(CC1)C(C2CCCCN2)=O)=O	679
+C1CN(CCN1)C(=O)CCc2c3C(=O)CCCc3[nH]c2	2
+CC(C)(C)OC(N1CCN(CC1)C(Cn2c3c(c(Cl)ncc3)cc2)=O)=O	7501
+C1CN(CCN1)C(=O)CN2Sc3c(C2=O)cccc3	2
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(Cc2ccc(cc2)Cl)CCN(CC)CC	776
+CC(C)(C)OC(N1CCN(CC1)C(Cn2ccc3c(nccc23)Nc4ncc(C#N)s4)=O)=O	7502
+C1CN(CCN1)C(=O)NCc2ccc(cc2)C#N	2
+CC(C)(C)OC(N1CCN(CC1)C(CN)c2ccccc2F)=O	51
+C1CN(CCN1)C(c2c3c(n(-c4ccccc4)c2Oc5c(ccc(F)c5)C)cnc(c3)OC)=O	2
+C1CNCCN1C(=O)c2c3n(c(-c4ccccc4)c2Cc5c(C)c(F)ccc5)ccc(Br)c3	2
+CC(C)(C)OC(=O)N1CCN(CC1)C2(CC2)C(=O)N3CC(S(=O)(=O)c4ccccc4Cl)CC3C(NC5(CC5)C#N)=O	348
+C1CN(CCN1)C2(Cc3cccc(Cl)c3)C(=O)Nc4cc(Cl)ccc24	2
+c1cc(ccc1Cl)CN2C=NC(N3CCNCC3)=NC2=O	2
+C1CN(CCN1)C2c3c(cccc3)CCCC2	2
+C1CN(CCN1)CC(N(C2CCc3ccc(cc3C2)OC)CCC)=O	2
+C1CN(CCN1CC(CNC(OCc2ccccc2)=O)O)C	352
+CC(C)(C)OC(N1CCN(CC1)CCCN=[N+]=[N-])=O	310
+CC(C)(C)OC(N1CCN(CC1)CCCCNC(c2cc3cnccc3[nH]2)=O)=O	81
+CC(C)(C)OC(N1CCN(CC1)CCCCN)=O	45
+CC(C)(C)OC(N1CCN(CC1)CCCN2C(C(c3c(c(OC)cc(OC)c3Cl)Cl)=Cc4c2nc(nc4)SC)=O)=O	7503
+CC(C)(C)OC(N1CCN(CC1)CCCNc2ncc(c(-c3cc4ccc(cc4s3)C(NC)=O)n2)C)=O	96
+CC(C)(C)OC(N1CCN(CC1)CCCN)=O	18
+CC(C)(C)OC(N1CCN(CC1)CCCI)=O	343
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCCN3CCN(CC3)C(=O)OC(C)(C)C	2666
+CC(C)(C)OC(N1CCN(CC1)Cc2sc3c(nc(nc3N4CCOCC4)-c5cnc(nc5)N)c2C)=O	2685
+C1CNCCN1Cc2c(cc(cc2)-c3cc(ncc3)C)F	2
+c1c(F)c(c(cc1)F)C(Nc2cn[nH]c2-c3[nH]c4ccc(cc4n3)CN5CCNCC5)=O	2
+FC1(F)C(CN2c3c(nc(-c4c(C)ccc(CN5CCNCC5)c4)cc3)N(S2(=O)=O)C)C1	2
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)C(C=Cc3cnc(C=CC(=O)O)cc3)=O)=O	4187
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)Nc3c(c(nc(n3)N4CCOCC4)C=CN(C)C)C(OCC)=O)=O	1693
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(cc5)CN6CCNCC6)s4)ncc3	2
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc3c(nc(-c4cc(N)ccc4)o3)n2)=O	0
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc3c(nc(o3)-c4cccc(c4)NC(=O)c5cccc(c5)N(C)C)n2	50
+CC(C)(C)OC(N1CCN(CC1)Cc2cnc(c(c2)B(O)O)F)=O	2698
+C1CN(CCN1)Cc2cc(cnc2)C(=O)OC	2
+C1CN(CCN1c2c(Br)cnc(N)c2[N+]([O-])=O)Cc3cscn3	7504
+n1cc(cnc1N)-c2nc3c(c(CN4CCNCC4)sc3c(n2)N5CCOCC5)C	2
+O=S(=O)(c1c2ccccc2ccc1)N3CCNCC3	2
+C1CNCCN1c2[nH]c(-c3cc(ncc3)Cl)cc2C#N	2
+C1CN(CCN1)c2c(C)cc(C)cn2	2
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(N3CC(C)OC(C)C3)cc2)C4CCC(C)(C)CC4)=O	79
+CC(C)(C)OC(N1CCN(CC1)c2c(c(ncn2)N)C=NOCC)=O	7505
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(cc2)C(=O)O)F)=O	1
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(N3C(=O)OC(CN=[N+]=[N-])C3)cc2)F)=O	133
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(OCc3ccccc3)ccc2NC(c4c5ccccc5ccc4)=O	50
+CC(C)(C)OC(N1CCN(CC1)c2c(ccc(NCc3ccccc3)c2CN)F)=O	107
+C1CNCCN1c2c(C=NOCC)c(ncn2)N	2
+C1CC1c2c(ncc(c2)C3CC3)N4CCNCC4	2
+C1CNCCN1c2c(cc(cn2)CC(CO)O)F	2
+C1CN(CCN1)c2ccc(N3CC(C)OC(C)C3)cc2C4CCC(C)(C)CC4	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2F)C(=O)NC(C)C)=O	14
+CC(C)(C)OC(N1CCN(CC1)c2c(F)cc(cc2)N3C(=O)OC(C3)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1CCN(CC1)c2c(C)cc(cn2)C)=O	4188
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(cn2)C(N(C)OC)=O)Cl)=O	1012
+CC(C)(C)OC(N1CCN(CC1)c2c(c(ccc2F)NCc3ccccc3)C#N)=O	60
+CC(C)(C)OC(N1CCN(CC1)c2c(cccc2)-c3ccc(cc3)CO)=O	41
+CC(C)(C)OC(N1CCN(CC1)c2ccccc2-c3ccc(cc3)COS(=O)(=O)C)=O	7
+C1CNCCN1c2c(cccc2[N+](=O)[O-])Cl	2
+CC(C)(C)OC(N1CCN(CC1)c2c(-c3ccccc3)cnc4c2c(OC)nn4Cc5ccc(cc5)OC)=O	7506
+CC(C)(C)OC(N1CCN(CC1)c2c(nc(Br)cn2)NN)=O	2839
+CC(C)(C)OC(N1CCN(CC1)c2ncc(Br)n3c2nnc3)=O	4189
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(Nc4nc(S(=O)(=O)C)nc(c4C#N)CC)C)=O	528
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(Nc4c(C#N)c(CC)nc(N)n4)C)=O	1408
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(C)Nc4c(C#N)c(CC)nc(n4)SC)=O	40
+C1CNCCN1c2cccnc2-c3ccc(cc3)F	2
+CC(C)(C)OC(N1CCN(CC1)c2c3c(ncc2-c4ccccc4)n[nH]c3I)=O	4190
+CC(C)(C)OC(N1CCN(CC1)c2c(cnc3c2c(I)nn3Cc4ccc(cc4)OC)-c5ccccc5)=O	7507
+CC(C)(C)OC(N1CCN(CC1)c2nc(-c3ccsc3)cn4c2nnc4)=O	7508
+CC(C)(C)OC(N1CCN(CC1)c2ncnc3n(c(Cl)nc23)C)=O	7509
+CC(C)(C)OC(N1CCN(CC1)c2cc(Br)cc3c2nc(cc3)C=O)=O	501
+CC(C)(C)OC(N1CCN(CC1)c2cc(C(N)=O)c(c(-c3cc(F)ncc3)n2)-c4ccccc4)=O	169
+CC(C)(C)OC(N1CCN(CC1)c2cc3nc(-c4c(I)ccnc4OC)[nH]c3c(C)c2)=O	1637
+CC(C)(C)OC(N1CCN(CC1)c2c(N)ccc(c2)OCc3ccccc3)=O	0
+CC(C)(C)OC(N1CCN(CC1)c2cc(ccc2OC)N)=O	0
+CC(C)(C)OC(N1CCN(CC1)c2cc(C)c(N)c(c2)N)=O	0
+CC(C)(C)OC(N1CCN(CC1)c2cc(C(O)=O)c(-c3ccccc3)c(n2)-c4ccnc(F)c4)=O	1
+CC(C)(C)OC(N1CCN(CC1)c2c(OC)ccc(c2)NS(=O)(=O)c3cccc(c3)OC(F)F)=O	69
+CC(C)(C)OC(N1CCN(CC1)c2nc(-c3cc(ncc3)Cl)c(-c4ccc(cc4)F)cc2)=O	89
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cn2)C#Cc3ncc(cc3)C(F)(F)F	943
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cc(C(=O)OC)cc2)N	0
+C[Si](C)(C)C#Cc1cnc(N2CCN(CC2)C(OC(C)(C)C)=O)cc1	1042
+CC(C)(C)OC(N1CCN(CC1)c2ccc(Nc3ncc4c(C)c(n(C5CCCC5)c4n3)C(=O)NNC(=O)C)nc2)=O	4191
+CC(C)(C)OC(N1CCN(CC1)c2ccc(Nc3nc4n(c(C(=O)O)c(c4cn3)C)C5CCCC5)nc2)=O	1
+C1CNCCN1c2ccc(cc2)-c3c4c5c(scc5)c(O)nc4ccc3OC	2
+c1cc(ccc1N2CCNCC2)-c3ccc(cc3)CNC(C(=O)NCC#N)CC(C)C	2
+CC(C)CC(Nc1ccc(cc1)-c2ccc(cc2)N3CCNCC3)C(NCC#N)=O	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)-c3ccc(cc3)CNC(C(=O)NCC#N)CC(C)C)=O	11
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)-c3ccc(cc3)NC(C(NCC#N)=O)CC(C)C)=O	11
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2)-c3c(cccc3)CC(C(NCC#N)=O)CC(C)C	11
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2)-c3ccc(Cl)c(N4C(C(NCC#N)=O)CC(C4)C)c3	11
+C1CN(CCN1)c2ccc(cc2)C(=O)O	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)C(=O)O)=O	6
+c1cc(ccc1C2=NCCO2)N3CCNCC3	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)Nc3nc4N(CC)C(C(c5sccn5)=Cc4c(C)n3)=O)=O	4169
+c1cc(ccc1N2CCNCC2)Nc3nc4N(CC)C(C(c5sccn5)=Cc4c(C)n3)=O	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)OCC(O)(C)CCOCc3ccccc3)=O	626
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)OCC(O)(CCO)C)=O	118
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)OCC(O)(CCOS(=O)(=O)c3ccc(cc3)C)C)=O	36
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)OCC(C)(CCn3c(Cl)nc([N+](=O)[O-])c3)O)=O	2840
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2C(O)=O)F)=O	1
+CC(C)NC(=O)c1cc(c(N2CCNCC2)cc1)F	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc3c(c(nn3CC(C)C)S(=O)(=O)c4c5c(ccc4)cccc5)c2)=O	2437
+CC(C)(C)OC(N1CCN(CC1)c2cccc3cc[nH]c23)=O	4192
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(-c3[nH]c4ccccc4n3)ccc2	4193
+c1cc(ccc1)Sc2c3c(c(ccc3)N4CCNCC4)[nH]c2	2
+CC(C)(C)OC(N1CCN(CC1)c2cccc3c2[nH]cc3Sc4ccccc4)=O	7510
+C1CNCCN1c2c3ccc(nc3ccc2)C	2
+CC(C)(C)OC(N1CCN(CC1)c2c(cccc2)-c3ccc(cc3)Cn4ccc5cc(F)ccc45)=O	4194
+C1CNCCN1c2c(N(S(=O)(=O)C)C)cccc2	2
+C1CN(CCN1)c2c(OCOCCOC)cccc2	2
+CC(C)(C)OC(N1CCN(CC1)c2c(nccc2)-c3ccc(cc3)F)=O	140
+CC(C)(C)OC(N1CCN(CC1)c2ccnc(n2)-c3c(F)c(ccc3)F)=O	345
+C1CN(CCN1)c2nc(ncc2)-c3c(F)c(ccc3)F	2
+C1CN(CCN1)c2cnc(Br)cc2	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(nc2)CCc3ccc(cc3)CO	4195
+CC(C)(C)OC(N1CCN(CC1)c2cnc(C=Cc3ccc(cc3)CO)cc2)=O	3443
+CC(C)(C)OC(N1CCN(CC1)c2nc(cnc2)OC)=O	799
+CC(C)(C)OC(N1CCN(CC1)c2cncc(n2)N(Cc3nc(C)ccc3)C)=O	317
+C1CNCCN1c2cncc(n2)N(Cc3nc(C)ccc3)C	2
+C1CNCCN1c2nc(cc(C(C)C)n2)Nc3ccc(cc3)C	2
+C1CNCCN1c2noc(C(C)C)n2	2
+CC(C)(C)OC(N1CCN(CC1)c2nc(nc(n2)O)Cl)=O	7511
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc(n2)N3CC4CCC(C3)O4)-c5ccc(cc5)N	1582
+C1CCCCC1Nc2nccc(-c3nc(cc(c3-c4ccccc4)C(N)=O)N5CCNCC5)c2	2
+C1CCCCC1Nc2nccc(-c3cccc(n3)N4CCNCC4)c2	2
+CC(C)(C)OC(N1CCN(CC1)c2nc(-c3cc(ncc3)Cl)ccc2)=O	1238
+C1CNCCN1c2nc(cnc2)OC	2
+C1CN(CCO1)c2nc(-n3c(nc4c(cccc34)OC)C(F)F)nc(n2)N5CCNCC5	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc(N(C)CCCc3ccc(cc3)Cl)n2)NCCc4ccc(cc4)O	387
+CC(C)(C)OC(N1CCN(CC1)c2nc(ncn2)O)=O	4196
+CC(C)(C)OC(N1CCN(CC1)C2=NC(=O)N(Cc3ccc(cc3)Cl)C=N2)=O	7512
+C1CN(CCN1)c2nc(O)c3CCCN(C)c3n2	2
+C1CN(CCO1)c2cncc(c2)Nc3c(C)c(nc4c3c(cc(F)c4)F)N5CCNCC5	2
+C1CN(CCN1)c2ccc(-c3nc(OC(C4CNC(=O)C4)C)c5c(c3)ncn5C)cn2	2
+C1CN(CCN1)c2ncc(cc2)[N+](=O)[O-]	2
+n1cc(cnc1N2CCNCC2)O	2
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cn2)OCc3cnc(nc3)Cl)=O	1897
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cn2)OCc3cnc(nc3)N)=O	911
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cn2)OCc3cnc(nc3)NC(C(C)C)=O)=O	784
+C1CNCCN1c2cc(ccn2)-c3c(F)c(F)ccc3	2
+C1CCCCN1c2c(nccn2)N3CCNCC3	2
+c1cc(ccc1-c2ncnc(N3CCNCC3)c2)F	2
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(-c3ccc(cc3)F)c2)=O	7513
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(NCC(=O)OCC)c2N)=O	193
+C1CN(CCN1)c2cc(O)ncn2	2
+c1cc(ccc1)-c2cc(N3CCNCC3)nnc2C#N	2
+CC(C)(C)OC(N1CCN(CC1)c2nnc(C#N)c(c2)-c3ccccc3)=O	2660
+c1cc(ccc1)CN2CCNC(C2)C	2
+CC(C)(C)OC(N1C(COC)CN(C(=O)c2cc(OC)c(c(c2)OC)OC)CC1)=O	76
+CC(C)(C)OC(N1CCN(CC2(CCN(CC2)c3ncncc3)O)C(=O)C1)=O	511
+C(=C)CN1CCNCC1=O	255
+CC(C)(C)OC(N1CCN(C(C2CNC2)=O)CCC1)=O	62
+C1C(CC1)N2CCCNCC2	2
+c1cc(N2CCCNCC2)ncc1Br	2
+CC(C)(C)OC(=O)N1CCNCC1CCCC	25
+c1cc(ccc1F)S(=O)(=O)N2C(C(OCC)=O)CNCC2	2
+C1CN(CCN1C(OCc2ccccc2)=O)c3ccc(cc3)N4CCNc5ccccc45	396
+CC(C)(C)OC(=O)N1CCN(C(CC)C1)c2ccc([N+]([O-])=O)nc2	244
+CC(C)(C)OC(N1CC(C(N(C)Cc2nc3c(cc2)SCC(N3)=O)=O)OCC1)=O	10
+CC(C)(C)OC(=O)N1CC(OCC1)C(NCCc2cc(c([N+]([O-])=O)cc2Cl)OC)=O	9
+CC(C)(C)OC(N1CC(C(=O)OCc2ccccc2)OCC1)=O	283
+CC(C)C1OCCNC1	2
+CC(C)(C)OC(=O)N1CC(OCC1)CNC(Nc2ccc(cc2)Cl)=O	282
+CC(C)(C)OC(=O)N1CCOC(C1)CNc2nc(Cl)cc3nccnc23	1679
+CC(C)(C)OC(N1CC(OCC1)Cn2cc(nn2)-c3nc(cc(C)c3)Nc4cc(C(F)F)ccn4)=O	2743
+CC(C)(C)OC(N1CCOC(Cc2ccc(cc2)O)C1)=O	16
+c1nc(ncc1Br)N2CC(Cn3c4nc(-c5cn(C)nc5)cnc4nn3)OCC2	4106
+CC(C)(C)OC(N1CC(C(OCC1)c2cc(Cl)c(Cl)cc2)COS(=O)(=O)C)=O	7
+c1nc(Nc2ncc(cc2)Cl)ccc1C3OCCNC3	2
+c1cc(ccc1-c2c3c(N)ncnc3n(C4COCCNC4)n2)Oc5ccccc5	2
+O=S(=O)(C1CC1)NCC2NCCOC2	2
+c1(-c2ccc(-c3ccc4OCCNCc4c3)cn2)ncc[nH]1	2
+CC(C)(C)OC(=O)N1CCc2c(c3c(c(cc(c3)C)C)n2C)C1	4197
+FC(F)(F)c1c2c(n[nH]1)CN(CC2)C	352
+CC(C)(C)OC(N1CCc2ccc(c(CSc3ccc(cc3)-c4nc(NCC5CC5)sc4)c2CC1)Cl)=O	607
+CC(C)(C)OC(N1CCc2c(CC1)ccc(Cl)c2CS)=O	7514
+c1ccccc1COc2cc3CCNCCc3cc2	2
+CC1(C)OB(OC1(C)C)c2ccc3CCN(C(OC(C)(C)C)=O)CCc3c2	425
+c1cc(ccc1NS(=O)(=O)C)-n2nc3c(c2)CCNCC3	2
+CC(C)(C)OC(N1CCc2c3c(n(CCN)c2CC1)cccc3)=O	18
+CC(C)(C)OC(N1CCc2c(CC1)n(c3c2cccc3)CCN=[N+]=[N-])=O	133
+CC(C)(C)OC(N1CCc2c(c3N(CCCc3cc2CC1)C(=O)C(C)C)Cl)=O	192
+CC(C)(C)OC(=O)N1CCc2onc(c2C1)C(O)=O	6
+CC(C)(C)OC(N1CCc2c(CC1)n(c3ccccc23)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1CCc2ccc(CCOS(=O)(=O)c3ccc(cc3)C)cc2C1)=O	36
+CC(C)(C)OC(N1CCc2c(cc(COS(=O)(=O)C)s2)C1)=O	7
+CC(C)(C)OC(N1CCc2ccc(cc2C1)C(O)=O)=O	1
+CC(C)(C)OC(N1CCc2c(c(Cl)c3NCCCc3c2)CC1)=O	15
+CC(C)(C)OC(N1CCc2ccc(-c3noc(-c4cc(c(OC(C)C)cc4)C#N)n3)c(C)c2CC1)=O	7515
+CC(C)(C)OC(N1CCc2ccc(c(c2CC1)N)O)=O	0
+C1C(CN1c2c3CCNCCc3nc4ccnn24)C(N5CC(C#C)CC5)=O	2
+c1cc(ccc1-c2sc3CNCCc3n2)OC4CC(C4)N5CCCCC5	2
+c1cc(cc2CCNc12)-c3cccc4c3c(nn4C)N	396
+CC(C)(C)OC(=O)N1c2c(cc(C(=O)O)cc2)CC1	1
+CC(C)(C)OC(N1CCc2c(c3c(cccc3)n2CCNC(=O)Nc4ccccc4)CC1)=O	282
+CC(C)(C)OC(N1CCc2n(CCNC(=O)c3ccccc3)c4ccccc4c2CC1)=O	93
+N1Cc2sc3ncc(c(Nc4cc(Cl)c(F)cc4)c3c2CC1)C#N	2
+CC(C)(C)OC(=O)N1Cc2n(c3c(cc(cc3)Br)c2CC1)C	144
+CC(C)(C)OC(N1CCc2c(c3c(cccc3)n2CCO)CC1)=O	665
+CC(C)(C)OC(N1CCc2c1ccc(-c3c4c(n(nc4N)C)ccc3)c2)=O	7516
+n1c2cc3c(cc2oc1C)CCNCC3	2
+CC(C)(C)OC(N1CCc2ccc(cc2C1)CCN3C=CC(OCc4ccccc4)=CC3=O)=O	7517
+CC(C)(C)OC(=O)N1CC2CN(Cc3ccccc3)c4c2c(ccc4Cl)CC1	507
+CC(C)(C)OC(=O)N1CCc2c(cc(OCC3CCN(CC3)c4ccncc4)cc2)C1	126
+CC(C)(C)OC(N1CCc2c(ccc(c2[N+]([O-])=O)O)CC1)=O	77
+CC(C)(C)OC(=O)N1CCc2ccc(Oc3ncc(C(NC)=O)cc3)cc2CC1	136
+CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Oc3ncc(Br)cc3	136
+CC(C)(C)OC(N1CCc2c(CC1)ccc(OCc3ccccc3)c2)=O	22
+c1cc(ccc1SCc2c3c(CCNCC3)ccc2Cl)-c4nc(NCC5CC5)sc4	2
+CC(C)(C)OC(N1CCc2c(ccc(c2C)C(N)=NO)CC1)=O	253
+CC(C)(C)OC(=O)N1CCc2c(CC1)ccc3oc(nc23)C	2794
+FC(F)(F)CCN1CCN(CC1)c2c(ccc(Cl)c2)NC(=O)c3ccc4c(c3)CN(C(OC(C)(C)C)=O)CC4	67
+CC(C)(C)OC(N1CCc2ccc(C(OCC3CCN(CC3)c4ccncc4)=O)cc2C1)=O	1533
+c1cc(ccc1)COC=2C=CN(CCc3ccc4CCNCc4c3)C(=O)C=2	2
+N1Cc2c3c(n(C)c2CC1)c(C)ccc3F	2
+C1COCCC1n2c3c(c(N4CCCc5c4cc(c(Br)c5)C#N)n2)CNCC3	2
+C1c2n3c(ccn3)ncc2CNC1	2
+c1cc(C#N)cc2C(c3nc4CCNCc4cc3)C(=O)Nc12	2
+O=S(=O)(C)c1nc(-c2c(Cl)cc(cc2)Cl)c3c(CCNC3)n1	2
+c1cc(ccc1C(=O)NC)-n2nc3c(c2)CCNCC3	2
+CC(C)(C)OC(N1CCc2nn(-c3ccc(cc3)C(=O)NC)cc2CC1)=O	14
+O=S(=O)(c1ccc(cc1)-n2cc3c(n2)CCNCC3)C	2
+CC(C)(C)OC(N1CCn2c(nc(c2C1)C(NC(CC(C)C)C(=O)NC)=O)Br)=O	4040
+CC(C)(C)OC(=O)N1Cc2c(c(nn2CC1)-c3cc(F)ccc3)C#N	4198
+Ic1cnn2CCNCc12	2
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(=O)Oc5ccccc5)=O	90
+CC(C)(C)OC(=O)N1C2COCC2n3nc(-c4cc(Cl)c(cc4)F)c(c3C1)C(N)=O	1196
+CC(C)(C)OC(N1Cc2n(CC1)c(Cl)cc2C(N)=O)=O	2148
+c1cc(ccc1)-c2n3CCCNCc3c(C(OCC)=O)n2	2
+C1CC1NC(Nc2ccc(cc2)-c3nc4c(CNC4)c(n3)N5CCOCC5C)=O	2
+C1CC1Nc2nc3CCNCc3cn2	2
+CC(C)(C)OC(N1CCc2c(cc(-c3ccccc3)s2)C1)=O	268
+c1cc(ccc1)-c2[nH]c(C3NCc4c(cccc4)C3)nc2	2
+C1CCCN1c2cnn3CCNCc23	2
+CCOC(=O)c1c2c(CCNC2)[nH]n1	2
+FC(F)(F)c1ccccc1C2CCN(CC2)C(=O)c3c4CN(C)CCCc4[nH]n3	352
+CC(C)(C)OC(N1Cc2c(c(-c3nn(C)nn3)c(NC(=O)C)s2)CC1)=O	1694
+CC(C)(C)OC(=O)N1Cc2c(c(Nc3cnc4c(c3)cccc4)ncn2)C1	2645
+N1Cc2ccc(N)cc2CC1	2
+CC(C)(C)OC(N1CCc2cc(C=O)ccc2C1)=O	39
+c1cc(ccc1-c2ccc3c(CNCCO3)c2)-c4n(ccn4)C(=O)OCC(C)C	2
+CC(C)(C)OC(N1Cc2c(CC1c3ncc(-c4ccccc4)[nH]3)cccc2)=O	2841
+CC(C)(C)OC(N1CCc2nc(C3c4cc(C#N)ccc4NC3=O)ccc2C1)=O	4117
+C1c2c(CN1)cnc(SC)n2	2
+CC(C)(C)OC(N1Cc2c(-c3ccc(cc3)N)nc(nc2C1)N4CCOCC4C)=O	0
+CC(C)(C)OC(=O)N1Cc2c(CC1)nc3ccc(C#N)cc3c2NCc4ccc(c(c4)Cl)OC	105
+CC(C)(C)OC(N1CCc2n(C)c3c(c(ccc3C)F)c2C1)=O	4197
+CC(C)(C)OC(N1CCc2c(C1)c3c(n2C)c(Sc4ccc(cc4)C)ccc3)=O	144
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C=CC(O)=CC4=O)=O	923
+FC(F)(F)c1ccc(nc1)COC2=CC(=O)N(C=C2)c3cc4c(cc3)c5CN(C(OC(C)(C)C)=O)CCc5n4C	7518
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C(=O)C=C(c5ccc(cc5OC)Cl)C=C4)=O	2793
+FC(F)(F)c1cnc(N2CCN(C(=O)C2)c3ccc4c5c(n(c4c3)C)CCN(C(OC(C)(C)C)=O)C5)cc1	2653
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C=CC(=CC4=O)OCc5ccccn5)=O	2027
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C(=O)C=C(OCc5ccccc5)C=C4)=O	2027
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C(C=C(C=C4)c5ccc(F)cc5OC)=O)=O	2793
+CC(C)(C)OC(=O)N1CCOc2ccc3n(cc(c3c2C1)Cl)S(=O)(=O)c4ccccc4	573
+CC(C)(C)OC(N1CCn2c(c(c(-c3cccc(c3)F)n2)I)C1)=O	1160
+O=S(=O)(CC)c1ccc(cc1)CNC(=O)c2ccc3c(c2)CNC3C(C)C	2
+CC(C)(C)OC(N1CCc2c(cc(CO)s2)C1)=O	2842
+CC(C)(C)OC(N1C(C(C)C)c2ncc(cc2C1)C(=O)NCc3ccc(cc3)S(=O)(=O)CC)=O	56
+C1CCCN1Cc2cc3CNCCc3s2	2
+C1CN(CCN1C(C2CCOCC2)=O)Cc3ccc4c(CCNC4)c3	2
+CC(C)(C)OC(N1CC(C)N2c3c(cccc3C1)C(CC2)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1Cc2cccc3n(cc(CC1)c23)S(=O)(=O)c4ccccc4)=O	367
+O=S(=O)(n1c2c3c(CNCCc3c1)ccc2)c4ccccc4	2
+CC(C)(C)OC(N1CCn2c(c(C(O)=O)nc2Br)C1)=O	1
+CC(C)(C)OC(=O)N1CC2N(C(C)C1)c3nc(ccc3C2)Br	7519
+CC(C)(C)OC(=O)N1Cc2n(CC1)c(c(c2C(OCC)=O)-c3cccc(c3)F)C#N	2843
+C1C2CC(CC(CC1)N2C(=O)c3nn4c(c3)CNCC4)C(OCC)=O	2
+CC(C)(C)c1ccccc1OCCN(C)C(=O)c2n[nH]c3c2CN(C3)C(=O)OC(C)(C)C	147
+FC(F)(F)c1ccccc1C2CCN(CC2)C(c3n[nH]c4CN(C(OC(C)(C)C)=O)Cc34)=O	147
+c1ccccc1OCc2nc3CNCCc3o2	2
+CC(C)(C)OC(=O)N1Cc2c(CC1)nc(I)[nH]2	7520
+CC(C)(C)OC(N1CCc2c3c(ncc(c3Nc4ccc(F)c(Cl)c4)C#N)sc2C1)=O	2844
+N1Cc2sc3c(c2CC1)c(ncn3)Cl	2
+CC(C)(C)OC(=O)n1c2c(cccc2c(n1)OC)F	7521
+CC(C)(C)OC(=O)N1CC(CCl)c2c3ccccc3c(cc12)[N+]([O-])=O	1507
+CC(C)(C)OC(N1c2c(CC1)ccc(N=C=S)c2C)=O	1695
+CC(C)(C)OC(N1CCc2ccc(c(C)c12)NC(NCCN)=S)=O	1167
+CC(C)(C)OC(N1c2cc(C(=NO)C)ccc2CCC1)=O	189
+CC(C)(C)OC(=O)N1CC(CO)c2c3c(c(OCc4ccccc4)cc12)nccc3	59
+CC(C)(C)OC(N1CC(c2c3c(c(OCc4ccccc4)cc12)nccc3)CCl)=O	7522
+CC(C)(C)OC(=O)N1c2c(C=C(C(=O)OC)CC1)cc(cc2)Br	7523
+c1cc(cc2CCCNc12)OCCCCN(CC=C)C	396
+CC(C)(C)OC(=O)N1c2c(CCC1)ccc(C(N)C)c2	840
+c1(cc2c(OCCN2)cc1)C=O	396
+CC(C)(C)OC(=O)N1CCC(C)(C)c2ccc(cc12)N	0
+CC(C)(C)OC(NC1=Nc2cc(Br)ccc2C=C(C1)C(=O)O)=O	7524
+c1cnccc1C2(N=C(c3c2cccn3)N)c4cc(ccc4)OCCC(C)C	7525
+CC(C)(C)OC(N=C1NC2(COC(CC2CS1)CO)c3c(F)ccc(N)c3)=O	0
+CC(C)(C)OC(NC(CCC)(CN)C)=O	51
+CC(C)(C)OC(NC(C(O)CCl)Cc1cc(F)cc(F)c1)=O	100
+CC(C)(C)OC(=O)NC(C=O)CC#CC	378
+CC(C)(C)OC(=O)NC(C(c1ccccc1)=O)CCC	832
+CC(C)(C)OC(NC(CCS(=O)(=O)C)C=O)=O	378
+CC(C)(C)OC(NC(Cc1cc(CCl)ccc1)C(=O)N(c2ccc(cc2)OC)C)=O	2845
+CC(C)(C)OC(=O)NC(CCCCNC(c1cc(C(=O)C)ccc1OCC#C)=O)C(=O)N	7526
+c1cc(ccc1CC(C(N)=O)N)I	84
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)C#N	143
+CC(C)(C)OC(=O)NC(C(=O)N1CC(O)CC1C(=O)O)C(C)CC(CCC=C)C	4
+CC(C)(C)OC(NC(C(=O)N1CCCC1C#N)Cc2c[nH]c3ccc(cc23)Oc4ccc(cc4)[N+](=O)[O-])=O	143
+CC(C)(C)OC(NC(C(C1CCC(CC1)NC)C)C(=O)N2CCC(F)C2)=O	25
+c1cc(ccc1[N+](=O)[O-])Oc2ccc3[nH]cc(c3c2)CC(N)C(N4C(C#N)CCC4)=O	84
+C1CN(CCN1c2nc(ccc2)C)C(C(N)CCCCNC(C=C)=O)=O	84
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2sc3cc(C(=O)O)ccc3n2)Cc4cccs4)=O	1
+C1CC(CCC1)CC(N)C(NC2C(O)CN(C(C)CC2)S(=O)(=O)c3ncccc3)=O	84
+CC(C)(C)OC(NC(C(NC1C(O)CN(CCC)C(CC1)C)=O)CC2CCCCC2)=O	61
+CC(C)(C)OC(NC(C(=O)NC1CCC(C)N(S(=O)(=O)c2ncccc2)CC1O)CC3CCCCC3)=O	2043
+CC(C)(C)OC(NC(C(=O)NC1CCC(C)NCC1O)CC2CCCCC2)=O	62
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)-c2cc(Cl)ccc2)c3n(nnn3)CCC#N	4199
+c1(cc(CCNC(=O)C(C(C)CC)N)ccc1OCc2cccc3ccccc23)OC	84
+c1cc(ccc1)CNC(=O)C(N)CO	84
+CC(C)(C)OC(=O)NC(COC)C(=O)NCc1ccccc1	1541
+n1c(C#Cc2cscn2)c3ccccc3cc1NC(C(C)N)=O	84
+CC(C)(C)OC(NC(C(=O)Nc1cc2ccccc2c(C#Cc3ncsc3)n1)C)=O	7527
+CC(C)(C)OC(NC(C(=O)N1C(C(=O)OC)CC(O)C1)C(C)CC(CCC=C)C)=O	478
+CC(C)(C)OC(NC(C(N1CC2CCCN2CC1c3ccn(Cc4ccc(cc4)F)n3)=O)C5CCCCC5)=O	10
+CC(C)(C)OC(NC(CC1CCCCC1)C(=O)Nc2sccn2)=O	373
+CC(C)(C)OC(NC(CC1CCCC1)C(=O)O)=O	1101
+CC(C)(C)OC(=O)NC(CO)CC=C	21
+CC(C)(C)OC(NC(C(=O)N(C)OC)CCC)=O	164
+CC(C)(C)OC(=O)NC(C(=O)O)COc1ccc(cc1[N+]([O-])=O)F	57
+CC(C)(C)OC(=O)NC(Cc1cc(C)cc(c1)C)C(=O)NCC#N	9
+CC(C)(C)OC(NC(C(=O)OC)C1CCC(CC1)N2C(=O)c3cccnc3C2)=O	7528
+CC(C)(C)OC(=O)NC(C(=O)OC)C1CCC(CC1)NC(=O)OCc2ccccc2	101
+C(C(=O)OC)(N)CCCc1[nH]cnc1	689
+CC(C)(C)OC(=O)NC(C(=O)O)Cc1cc(F)c(Cl)cc1	4
+CC(C)(C)OC(NC(C(=O)OC)Cc1ccc(cc1)OC(C)C)=O	313
+CC(C)(C)OC(=O)NC(C(OC)=O)Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC	22
+CC(C)(C)OC(=O)NC(C(=O)OC)Cc1ccc(cc1)Oc2ccc(cc2)Cl	304
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OC(C)C)C(=O)O	4
+CC(C)(C)OC(NC(C(=O)OC)Cc1ncc(CCCc2nc3NCCCc3cc2)cc1)=O	2826
+c12c(CCCN1)ccc(CCCc3cnc(cc3)CC(C(=O)OC)N)n2	689
+CC(C)(C)OC(NC(C(=O)OC1CCCC1)CCOc2cccc(c2)[N+]([O-])=O)=O	20
+CC(C)(C)OC(=O)NC(CC(C(C)C)Cc1ccc2c(c(OCCOC)ccc2)c1)CO	44
+CC(C)(C)OC(=O)NC(C(OCc1ccccc1)=O)CCC(=O)Nc2cc(c(cc2N)C)C	33
+CC(C)(C)OC(=O)NC(C(OCc1ccccc1)=O)CCC(=O)Nc2c(N)cc(c(Cl)c2)Cl	33
+CC(C)(C)OC(NC(CCc1nc2c(cc(C)c(c2)C)n1-c3ccc(cc3)C)C(=O)OCc4ccccc4)=O	2846
+CC(C)(C(N)CN1C(=O)c2ccccc2C1=O)c3ccccc3	12
+CC(C)(C)OC(NC(c1[nH]c2c(n1)ccc(C(C)(C)C)c2)C(C)C(N)=O)=O	83
+CC(C)(C)OC(NC(C(C)C(=O)O)c1[nH]c2ccc(cc2n1)C(C)(C)C)=O	4
+CC(C)(C)OC(NC(C(C)C)C(O)CC(=O)OC)=O	770
+CC(C)C(N)C(C(=O)NC1CCCCNC1=O)O	12
+CC(C)(C)[Si](C)(C)OC(C(C(C)C)NC(=O)OC(C)(C)C)CC(=O)OC	19
+CC(C)(C)OC(=O)NC1C(C)CC(CCC=CC2C(NC(C3N(CC(O)C3)C1=O)=O)(C(NS(=O)(=O)C4CC4)=O)C2)C	2463
+CC(C)(C)OC(NC(C(C)OCc1ccccc1)C(O)=O)=O	149
+CC(C)(C)OC(NC(C(C)OCc1ccccc1)C(OCc2ccccc2)=O)=O	283
+c1ccccc1COC(C(N)C(C)OCc2ccccc2)=O	689
+CC(C)(C)OC(=O)NC(C(N=[N+]=[N-])C)CC1CCCCC1	298
+CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C)C2CCC(CC2)N(C)C(=O)C)=O	10
+CC(C)(C)[Si](C)(C)OC(C(Cc1ccccc1)NC(=O)OC(C)(C)C)CC(C(O)=O)Cc2cccc(c2)F	19
+C1C(CN1C(C(C(C)CC)NC)=O)O	352
+CC(C)(C)OC(=O)NC(C(C)CC)CN1CC(C1)O	15
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C2OC2	2080
+CC(C)(C)OC(NC(C(CN(Cc1cc(ccc1)C(C)C)C(OCc2ccccc2)=O)O)Cc3cc(ccc3)CC=C)=O	66
+CC(C)(C)OC(=O)NC(C(C)C)C(=O)N(CC(=O)O)CC1CCCCC1	4
+CC(C)(C)OC(=O)NC(C(N(c1ccc(cc1)OC)C)=O)Cc2cccc(c2)C=C	2847
+CC(C)(C)OC(=O)NC(CN)C	15
+CC(C)(C)OC(NC(C)C#N)=O	143
+C1CCCCC1C(N)C(N2CC3N(CCC3)CC2c4nn(cc4)Cc5ccc(cc5)F)=O	84
+CC(C)C(N)C(=O)N1CCC1	84
+c1cc(ccc1OC)CC(C(=O)NC(CC2=CCCC2)C(=O)C3(CO3)C)NC(=O)C(CC#N)N	84
+C1CC(CCC1)CC(C(NC2C(O)CN(CCC)C(CC2)C)=O)N	84
+CC(C)CC(C(NC1CCCN(CC1O)C(=O)OCc2ccccc2)=O)N	84
+CC(C)(C)OC(NC(C(Nc1cc2ccccc2c(n1)C#C[Si](C)(C)C)=O)C)=O	961
+CC(C)(C)OC(NC(C(=O)Nc1nc(C#C)c2c(cccc2)c1)C)=O	75
+CC(C)(C)OC(=O)NC(C(OC)=O)C(C)C	325
+CC(C)(C)OC(=O)NC(C(C)C)C(=O)N1CCCC1Cc2c(CCC(OCC)=O)oc3c2cccc3	10
+CC(C)(C)OC(=O)NC(C(NCCc1cc(OC)c(OCc2ccccc2)cc1)=O)C(C)C	9
+CC(C)(C)OC(=O)NC(C(C)C)C(=O)N(C(CC(C)C)C(NC(C(Cc1ccccc1)=O)C)=O)C	348
+CC(C)(C)OC(=O)NC(C(=O)F)C(C)C	7529
+CC(C)(C)OC(NC(C(NC(C(=O)NC(CC=1CCCC=1)C(=O)C2(CO2)C)Cc3ccc(cc3)OC)=O)CC#N)=O	207
+CC(C)(C)OC(NC(CC(C)C)C(NC(C(=O)OC)CC(C)C)=O)=O	188
+CC(C)(C)OC(=O)NC(C(=O)NC(C(=O)OC)Cc1c2ccccc2[nH]c1)CC(C)C	188
+CC(C)(C)OC(NC(C(Nc1ccc(cc1)CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O)=O)CC(C)C)=O	33
+CC(C)(C)OC(=O)NC(C(=O)OC)CC(CCOCC=C)C	325
+CC(C)(C)OC(NC(C(NCC(OCC)=O)=O)CCl)=O	188
+CC(C)(C)OC(NC(CO)COC)=O	21
+CC(C)(C)OC(NC(Cc1c(C)cc(cc1C)O)C(=O)N(C(C)C)C(C)c2nc(-c3ccccc3)c[nH]2)=O	10
+CC(C)(C)OC(NC(c1nc2c(cccc2)[nH]1)Cc3ccc(cc3C)OC)=O	442
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC)CO	21
+CC(C)(C)OC(NC(C(O)=O)Cc1ccc(cc1)Oc2c(CCC(=O)OC)cccc2)=O	159
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2c(CCC(=O)OC)cccc2)C(N(C)C)=O)=O	10
+CC(C)(C)OC(=O)NC(C(N)=O)Cc1ccc(cc1)S(=O)(=O)c2ccccc2	83
+c1cc(ccc1)CC(C(O)C(O)=O)N	12
+OC(C(C(=O)NCC)N)C	84
+CC(C)(C)[Si](C)(C)OC(CC(C(O)=O)Cc1ccc(cc1)OC)C(Cc2ccccc2)NC(=O)OC(C)(C)C	19
+CC(C)(C)OC(=O)NC(C1CO1)Cc2cc(F)cc(F)c2	2080
+c1(cc(cc(F)c1)CC(C(O)CNCc2cc(ccc2)OC)N)F	12
+CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)CCCCN(CC(CCl)O)C(OCc1ccccc1)=O	66
+CC(C)(C)OC(=O)NC(C)(C)c1sc(c(-c2c(c(ccc2)NC(OCC=C)=O)F)n1)-c3nc(Cl)ncc3	873
+CC(C)(C)OC(NC(C)(C)C(NC(=O)c1ccc2cc(C#CC3C(C3)CO)ccc2c1)C(=O)OC)=O	259
+CC(C)(C)OC(=O)NC(C)(C)C#N	143
+CC(C)(C)OC(NC(C)(C)C(=S)N)=O	199
+CC(C)(C(NC(=O)c1cc2ccc(cc2cc1)C#CC3C(C3)CO)C(OC)=O)N	12
+CC(C)(C)OC(NC(C)(C)C(N)=O)=O	1360
+CC(C)(C)OC(=O)NC(C)(C)C(=O)N(OC)C	164
+CC(C)(C)OC(NC(C)(C)C(Nc1cccc(NS(=O)(=O)c2ccc(-c3ccc(C)o3)c(c2)F)c1)=O)=O	33
+CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1cnc(nc1)Oc2cccc3OCC(C)(C)c23	1681
+CC(C)(C)OC(NC(C)(C)CNc1c(ccc(c1)F)Cl)=O	291
+CC(C)(C)OC(=O)NC(C)(C)CNCC(=O)OC	1315
+CC(C)(C)OC(=O)NC(C)(C)CNc1c(C)cccc1	291
+CC(C)(C)OC(NC(C)(C)CC(NC1C(=O)Nc2c(c3ccccc3cc2)CC1)=O)=O	207
+CC(C)(C)OC(N1C(C)(C)CN(C(=O)C1)c2c(Cl)ccc(F)c2)=O	7530
+CC(C)(C)OC(NC(C)(C)Cn1c(nc2cnc3ccc(OCc4ccccc4)cc3c12)COCC)=O	546
+CC(C)(C)OC(NC(C)(C)CNc1c(cnc2ccc(OCc3ccccc3)cc12)N)=O	13
+CC(C)(C)OC(NC(C)(C)C=O)=O	24
+CC(C)(C)OC(NC(C)(C)COc1ccc(cc1)C=O)=O	1295
+CC(C)(C)OC(NC(C)(C)Cc1c2c(c(O)ccc2)[nH]c1)=O	321
+CC(C)(C)OC(NC(C)(C)Cc1c2cccc(c2[nH]c1)Oc3c(cccn3)C#N)=O	7531
+CC(C)(Cc1cc(C(=O)OC)ccc1)N	12
+c1ccccc1COc2ccc3c(c2)c4c(nc(COCC)n4CC(C)(C)N)cn3	12
+CC(C)(C)OC(=O)NC(C=O)(C)c1cc(Br)ccc1	24
+CC(C)(C)OC(NC(C)C(N)=NO)=O	609
+CC(C)C(C(=O)N1C(Cc2c(CCC(OCC)=O)oc3c2cccc3)CCC1)NC(C(N)C)=O	84
+CC(C)(C)OC(NC(C)C(=O)NC(C(=O)N1C(Cc2c(CCC(OCC)=O)oc3c2cccc3)CCC1)C(C)C)=O	207
+CC(C)(C)OC(=O)NC(C(Nc1cnc(nc1)Oc2cccc(C(C)C)c2)=O)C	1681
+CC(C)(C)OC(NC(C(N)=O)C)=O	83
+CC(C)(C)OC(=O)NC(c1onc(n1)C)C	1166
+CC(C)(C)OC(=O)NC(C1=Nc2c(c(ccc2)Cl)C(N1c3cc(C#N)ccc3)=O)C	7532
+CC(C)(C)OC(NC(C(Nc1cc2c(cccc2)c(Br)n1)=O)C)=O	142
+CC(C)(C)OC(=O)NC(C)C(=O)Nc1cc(Cl)cc(C#Cc2ccccc2)n1	142
+CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(cc1)Oc2cc3c(COC3)cc2)C	33
+CC(C)(C)OC(=O)NC(C)C(NC(Cc1ccc(cc1)OC)C(=O)NC(CC2=CCCC2)C(=O)C3(CO3)C)=O	207
+CC(C)(C)OC(NC(C(NCc1nc(c2c(cccc2)n1)N(c3ccc(cc3)OC)C)=O)C)=O	9
+CC(C)(C)OC(NC(C)C(Nc1cccc(Cl)c1C(Nc2ccccc2)=O)=O)=O	33
+CC(C)(C)OC(=O)NC(C(c1ccc(cc1)CC)=O)C	586
+CC(C)(C)OC(=O)NC(C(N)=NOC(C)=O)C	7533
+CC(C)(C)OC(NC(C)C=1N(C(c2c(cccc2N=1)Cl)=O)c3ccccc3)=O	2796
+c1ccccc1N2C(C(C)N)=Nn3c(c(cc3)C)C2=O	12
+CC(C)(C)OC(=O)NC(CCCOc1c(-n2nc(nc2)C)ccc(c1)[N+]([O-])=O)C	8
+CC(C)(C)OC(NC(C)COC1CCN(CC1)c2nc3c(cc(O)cc3)o2)=O	2600
+c1cc(ccc1-c2oc3c(cnc(OCC(C)NC(C)=O)c3)n2)OCCC4CC4(F)F	7534
+CC(C)(C)OC(NC(C)COc1cc2oc(nc2cn1)-c3ccc(cc3)O)=O	16
+CC(C)(C)OC(NC(C)COc1cc2oc(-c3ccc(cc3)OCCC4CC4(F)F)nc2cn1)=O	262
+CC(C)(C)OC(NC(C)COc1cc2oc(-c3ccc(cc3)OCc4ccccc4)nc2cn1)=O	7535
+CC(C)(C)OC(NC(C)c1c(OC)c(c(C)c(c1)Cl)-c2cnc(cc2)C(=O)O)=O	1696
+CC(C)(C)OC(NC(C)c1c(c(-c2cnc(C(=O)N(C)C)cc2)c(C)c(c1)Cl)OC)=O	147
+CC(C)(C)OC(NC(c1c(c(c2c(n1)ccc(c2)F)C(NC(C)C)=O)-c3ccccc3)C)=O	14
+c1cc2nc(C(C)N)c(c(-c3nnc(o3)C)c2cc1F)-c4ncccc4	12
+FC(F)(F)c1cc2c(cc1)nc(-c3cc(on3)C(C)N)[nH]2	12
+CC(C)(C)OC(NC(C)c1nc2cccnc2c(C(NC)=O)c1-c3ccccc3)=O	56
+c1cc2nc(C(C)N)c(c(-c3nc(C)no3)c2cc1F)-c4ncccc4	12
+CC(C)(C)OC(=O)NC(C)c1c(-c2ncccc2)c(C(=O)NNC(C)=O)c3cc(ccc3n1)F	2524
+c1ccccc1-c2c(c3c(nc2C(C)N)cccn3)C(NC)=O	12
+CC(C)(C)OC(NC(c1onc(C(O)=O)c1)C)=O	6
+C1CC1N2C(c3c(cccc3Cl)N=C2C(N)C)=O	12
+CC(C)(C)OC(=O)NC(C1CCN(C(C(=O)N)C1)C(=O)OCc2ccccc2)CC	1827
+CC(C)(C)OC(=O)NC(C1CC(Cc2ccc(OC)cc2OC)C(=O)O1)Cc3ccccc3	2494
+CC(C)(C)OC(=O)NC(C1OC(C(Cc2ccc(cc2)OC)C1)=O)Cc3ccccc3	4121
+CC(C)(C)OC(NC(C(=O)OC)C1CCC(CC1)N)=O	18
+CC(C)(C)OC(NC(C1CCC(CC1)N=[N+]=[N-])C(=O)OC)=O	298
+C1CC(CCC1)C(N)C(=O)N2C(CCC2)c3cc(ncc3)-n4cnc5ccccc45	84
+C1COCCC1C(N)C(=O)N2C(Cc3cccnc23)C(=O)OCC	84
+CC(C)(C)OC(=O)NC(C1=C(c2cc(ccc2)F)C(N3C(SC=C3C)=N1)=O)C	1100
+CC(C)(C)OC(NC(Cc1ccccc1)(C)C=NO)=O	410
+CC(C)(C)OC(=O)NC(C1CO1)CC(Cc2ccc3c(c(OCCOC)ccc3)c2)C(C)C	7536
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC)C=NO	410
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2ccc(cc2)Cl)CNO)=O	7537
+CC(C)(C)OC(=O)NC(COc1c(cc(N)cc1)-c2n(C)ncc2)C	8
+c1ccccc1C(N)CC#C	12
+CC(C)(C)OC(NC(CCN)C)=O	51
+CC(C)(C)OC(NC(CC(=O)N(OC)C)C1CCCCC1)=O	164
+CC(C)(C)OC(=O)NC(c1cccc(c1Cl)Cl)CCO	21
+CC(C)(C)OC(NC(CC(O)=O)Cc1c(F)ccc(c1)F)=O	3
+CC(C)(C)OC(=O)NC(C(=O)C(COS(=O)(=O)c1c(cc(cc1C)OCC(OCc2ccccc2)=O)C)(C)O)CC(C)C	1226
+CC(C)(C)OC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)CC(C)C	4
+CC(C)(C)OC(=O)NC(CC#N)c1ccc(cc1)-c2ccccc2	143
+CC(C)(C)OC(=O)NC(Cc1c(F)cccc1)CC(=O)ON2C(CCC2=O)=O	884
+CC(C)(C)OC(=O)NC(CC(O)=O)c1ccccc1Cl	4
+CC(C)(C)OC(=O)NC(C)(C(Nc1cnc(nc1)Oc2c3C4(CC4)CCOc3ccc2)=O)CC	1681
+CC(C)(C)OC(=O)NC(C)(C(=O)Nc1ccc(nc1)Oc2cccc3OCC(C)Cc23)CC	469
+CC(C)(C)OC(=O)NC(CCc1ccc(cc1)OCCCCc2ccccc2)(COC(=O)C)CC	116
+CC(C)(C)OC(NC(CC)(COC(C)=O)CCc1ccc(cc1)O)=O	16
+FC(F)(F)c1cccc2c1nc(c(C(Nc3nccs3)=O)c2O)C(CC)NC(=O)OC(C)(C)C	7538
+CC(C)(C)OC(NC(CC)C(O)c1nc2c(o1)cccn2)=O	7539
+CC(C)(C)OC(=O)NC(CC)COS(=O)(=O)C	7
+CC(C)(C)OC(NC(CC1CCCC1)C(=O)N(C)OC)=O	164
+C1CCCCC1CC(N)C(Nc2nccs2)=O	84
+CC(C)(C)OC(NC(CC1CCCCC1)C(NC(OCc2ccccc2)=O)C)=O	101
+CC(C)(C)OC(NC(C(C)OS(=O)(=O)C)CC1CCCCC1)=O	7
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	101
+CC(C)(C)OC(NC(CC1CCCOC1)CN)=O	18
+CC(C)(C)OC(NC(CC1CCCOC1)CN=[N+]=[N-])=O	254
+CC(C)(C)OC(NC(CC1CCCOC1)COS(=O)(=O)c2ccc(cc2)C)=O	36
+CC(C)(C)OC(=O)C(CCCO)NC(=O)OC(C)(C)C	21
+CC(C)(C)OC(=O)NC(CCC(OC)=O)CO	21
+CC(C)(C)OC(NC(CSc1ccc(cc1)Cc2ccccc2)CCC(=O)OC3CCCCC3)=O	636
+CC(C)(C)OC(=O)NC(CCC)(C)CNC(=O)c1c(C)nn2c(cc(cc12)C)OCc3c(F)cccc3Cl	597
+CC(C)(C)OC(=O)NC(C)(CNC(=O)c1c(C)nn2c(OCc3c(F)cccc3F)cccc12)CCC	597
+c1ccccc1C(c2ccccc2)C(NC(OC)=O)C(NC(C)CCCC(C(OCC)=O)NC(=O)OC(C)(C)C)=O	1280
+CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)CCCCN(Cc1ccccc1)CC(O)CCl	170
+C(N)(CCCN=C(N[N+](=O)[O-])N)C(=O)O	7540
+CC(C)(C)OC(NCCNC(CC(CCCNC(OCc1ccccc1)=O)NC(=O)OC(C)(C)C)=O)=O	9
+CC(C)(C)OC(NC(CCCc1ccccc1CO)Cc2ccccc2)=O	88
+CC(C)(C)OC(NC(CCNCC(C)C)C)=O	110
+C1C(CN1CCC(N)COC)Oc2ccc(cc2)Cl	12
+CC(C)(C)OC(=O)NCCC(CO)NC(OC(C)(C)C)=O	21
+CC(C)(C)OC(NC(CC=O)(c1c(F)cc(c(Br)c1)F)C)=O	24
+CC(C)(C)OC(NC(CCOC)(CCOC)CN)=O	51
+CC(C)(C)OC(=O)NC(CCOC)(CCOC)CNC(OCC1c2ccccc2-c3ccccc13)=O	2834
+CC(C)(C)OC(=O)NC(CNCc1cc(Cl)ccc1)CCS(=O)(=O)C	110
+CC(C)(C)OC(=O)NC(CCSCCCOS(=O)(=O)c1ccc(cc1)C)C(OC(C)(C)C)=O	36
+CC(C)(C)OC(=O)NC(CCC(=O)O)(CCc1ccc(cc1)OCCCCCCC)C	783
+c1ccccc1CCC(C(OCC=C)=O)N	689
+CC(C)(C)OC(=O)NC(CNC(=O)CNc1sc(C=O)cn1)C(=O)OC	9
+CC(C)(C)OC(NC(CNC(=O)C(NC(OCc1ccccc1)=O)C(C)C)C(C)C)=O	9
+CC(C)(C)OC(NC(CNc1nc(ncc1)-c2cc(Br)ccc2O)CC)=O	40
+CC(C)(C)OC(=O)NC(CCNC(=O)OC(C)(C)C)CN	18
+c1ccccc1COC(NC(C(C)C)C(NCC(C(C)C)N)=O)=O	12
+CC(C)(C)OC(NC(CNC(=O)C1CC(CN1)O)CCCCNC(=O)OC(C)(C)C)=O	679
+C[Si](C)(C)CCOC(N(CC(NC(OC(C)(C)C)=O)CC1(CCCCC1)F)C)=O	613
+c1c(cc(-c2nccc(NCC(CC)N)n2)c(c1)O)Br	12
+OCC(CO)(N)c1oc2c(cc(cc2)-c3noc(n3)-c4cc(Cl)c(cc4)OCCC)c1	12
+CC(C)(C)OC(=O)NC(CO)CNCCN	15
+CC(C)(C)OC(NC(C=O)C(C)C)=O	24
+CC(C)(C)OC(=O)NC(COCc1ccccc1)C(C)C	149
+CC(C)(C)OC(=O)NC(C)Cn1c2ncnc(N)c2c(I)n1	7541
+CC(C)(C)OC(=O)NC(COS(=O)(=O)C)C	7
+CC(C)(C)OC(NC(COc1cc2OC(c3c(-c2cc1)ccnc3NC(C)=O)C)CC(C)C)=O	556
+CC(C)(C)OC(=O)NC(COS(=O)(=O)C)CC(C)C	7
+CC(C)(C)OC(N1C(C)(C)OCC1CC(CC=C)CO)=O	2797
+CC(C)(C)OC(NC(COS(=O)(=O)C)CC1(CCCCC1)F)=O	7
+CC(C)(C)OC(NC(CC=C(F)F)COc1ccc2-c3ccnc(C)c3C(=O)N(C)c2c1)=O	556
+CC(C)(C)OC(=O)NC(CCc1ccc(cc1)Br)C=O	24
+CC(C)(C)OC(=O)NC(COC)CN=[N+]=[N-]	600
+CC(C)(C)OC(=O)NC(COS(=O)(=O)c1ccc(cc1)C)Cc2ccccc2	36
+CC(C)(C)OC(NC(COC(F)F)C(=O)NCc1ccc(cc1)F)=O	9
+CC(C)(C)OC(NC(COC)CNc1cc(c(C(OC)=O)c(Nc2cc(ccc2)C)n1)C#N)=O	70
+CC(C)(C)OC(=O)NC(C(=O)NC(C(NC(C(=O)OC)C(C)C)=O)C(C)C)COCC=C	207
+CC(C)(C)OC(NC(CNC)CC1(CCCCC1)F)=O	285
+CC(C)(C)[Si](C)(C)OCC(N(C)C(OC(C)(C)C)=O)CC=C	397
+CC(C)CC(N)COc1cc2OC(c3c(-c2cc1)ccnc3NC(C)=O)C	12
+C1CC(CCC1)OC(=O)CCC(CSc2ccc(cc2)Cc3ccccc3)N	12
+C1CC(CCC1)CC(NC(=O)C(Cc2c[nH]cn2)N)C(O)CCC(C)C	84
+CC(C)(C)OC(=O)NC(Cc1c(F)ccs1)C(NC2(CC2c3ccccc3)C#N)=O	143
+O=S(=O)(C)Oc1ccc2[nH]cc(c2c1)CC(C(N3C(CCC3)C#N)=O)N	84
+CC(C)(C)OC(NC(Cc1c2cc(OS(=O)(=O)C)ccc2[nH]c1)C(=O)N3CCCC3C#N)=O	143
+CC(C)CC(C(N(C)C(CCCC)C(N)=O)=O)NC(C(Cc1c2ccccc2[nH]c1)N)=O	84
+CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N	83
+CC(C)(C)OC(NC(Cc1c[nH]c2c1cccc2)C(OCc3ccccc3)=O)=O	283
+CC(C)(C)OC(=O)NC(C(OCc1ccccc1)=O)Cc2c3ccccc3n(c2)CC(OCC)=O	256
+CC(C)(C)OC(NC(Cc1c2cc(OS(=O)(=O)C)ccc2[nH]c1)C(=O)N3CCCC3C(N)=O)=O	444
+CC(C)(C)OC(NC(C(=O)N1C(CCC1)C(=O)N)Cc2c[nH]c3ccc(cc23)Oc4ccc(cc4)[N+](=O)[O-])=O	46
+CC(C)(C)OC(=O)NC(CO)Cc1ccc(c(Cl)c1)O	95
+CC(C)(C)Cc1nc(C2(CC2)NCC(O)C(Cc3cc(F)cc(c3)F)N)cs1	12
+CC(C)(C)OC(NC(c1ncc(N)cc1Br)Cc2cc(F)cc(F)c2)=O	7542
+CC(C)(C)OC(=O)NC(C(N(c1ccc(cc1)OC)C)=O)Cc2cc(ccc2)C=O	1295
+CC(C)(C)OC(NC(C(OCc1ccccc1)=O)Cc2cc(OC)c(O)cc2)=O	283
+CC(C)(C)OC(NC(Cc1ccc(cc1)-c2cn3cccc(C(O)C)c3n2)CCO)=O	440
+c1cc(ccc1CC(N)C(N2CCN(CC2)c3ccccc3CN(C)C)=O)Cl	84
+CC(C)(C)OC(NC(Cc1ccc(cc1)Cl)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(NC(Cc1ccc(cc1)Cl)CCn2ncc(-c3cc4c(cncc4)cc3)c2)=O	1593
+c1cc(ccc1Cl)CC(N)CCn2ncc(-c3cc4c(cncc4)cc3)c2	12
+C1CC(CCC1)C2(CCN(CC2)C(C(Cc3ccc(cc3)OC)N)=O)C(=O)CCC	84
+c1cc(ccc1OC)CC(C(=O)NC(CC=2CCCC=2)C(C3(CO3)C)=O)N	84
+CC(C)(C)OC(NC(Cc1ccc(cc1)OCCN=[N+]=[N-])C(=O)OC)=O	310
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCCN=[N+]=[N-])C(=O)O	4
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2c(cccc2)CCC(=O)O)C(N(C)C)=O)=O	4
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2c(cccc2)CCC(=O)NO)C(N(C)C)=O)=O	1697
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2c(cccc2)CCC(=O)NOCc3ccccc3)C(N(C)C)=O)=O	293
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)Oc2ccc(cc2)C=O)C(=O)N(C)C	10
+c1(cccc(Cl)c1-c2ccc3c(ccc(CC(C(=O)OC)N)c3)n2)Cl	689
+CC(C)(C)OC(=O)NC(Cc1ccccc1)(c2oc(nc2)-c3cc(Cl)nc(c3)N(S(=O)(=O)C)C)C	7543
+CC(C)(C)OC(NC(C=O)(C)Cc1ccccc1)=O	24
+c1cc(ccc1)CC(C(NC(CCCNC(N[N+]([O-])=O)=N)C(=O)O)=O)N	84
+CC(C)(C)OC(NC(CO)Cc1ccccc1)=O	21
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N(C)C	10
+CC(C)(C)OC(=O)NC(C(=O)N)Cc1ccccc1	83
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N(C)OC	164
+CC(C)(C)OC(NC(CCCc1c(COC)cccc1)Cc2ccccc2)=O	49
+CC(C)(C)OC(=O)NC(Cc1cnccc1)C(=O)N	83
+CC(C)(C)OC(NC(Cc1cnccc1)CN2CCC(CC2)C(c3ccc(cc3)F)=O)=O	28
+c1cc(ccc1F)C(C2CCN(CC2)CC(Cc3cccnc3)N)=O	12
+CC(C)(C)OC(NC(C)c1nc2c(cc(F)cc2)c(-c3nc(C)no3)c1-c4ccccn4)=O	7544
+c1(cc(ccc1)C#CCC(N)c2cccc(C)c2C)C	12
+CC(C)(C)OC(NC(C)c1c(OC)c(-c2ccc(C#N)nc2)c(C)c(c1)Cl)=O	391
+CC(C)(C)OC(NC(c1ccc(c(Cl)c1)Cl)CCC#N)=O	1409
+[N-]=[N+]=NCC(c1cc(ccc1)Br)N	12
+c1c(OC)ccc2c(ccnc12)OCc3nnc4n3nc(-c5cc(Cl)c(cc5)C(C)N)cc4	12
+CC(C)(C)OC(NC(CC(N)=O)c1ccc(cc1)-c2ccccc2)=O	83
+CC(C)(C)OC(=O)NC(CCNS(=O)(=O)C)c1ccc(cc1)Cl	111
+c1cc(ccc1OCC(C)CCC)C(N)CN=[N+]=[N-]	12
+c1ccccc1C(C(NC2CCCC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C2)=O)N	84
+CC(C)(C)OC(NC(c1ccccc1)CCO)=O	21
+CC(C)(C)OC(NC(CC#C)c1ccccc1)=O	7545
+CC(C)(C)OC(NC(c1ccccc1)CC=O)=O	24
+CC(C)(C)OC(NC1c2ccnc(-c3n(ncc3NC(C(C=CC1)C)=O)C(F)F)c2)=O	4123
+CC(C)(C)OC(NC(c1cc(-c2c(cnn2C(F)F)N)ncc1)CC=C)=O	209
+CC(C)(C)OC(NC(C)c1c(c(c2c(ccc(F)c2)n1)C(=O)O)-c3ccccc3)=O	1
+c1(c(C)cc(OC)cc1)CC(N)c2nc3c([nH]2)cccc3	12
+CC(C)(C)OC(=O)NC(c1n(Cc2ccccc2)cc(-c3cc(ccc3F)F)n1)C4CCOCC4	371
+c1c(cnc(C(C)N)c1F)F	12
+CC(C)(C)OC(NC(C)c1cc(no1)-c2[nH]c3c(ccc(c3)C(F)(F)F)n2)=O	4200
+CC(C)(C)OC(=O)N(C)Cc1c(cccc1Br)[N+]([O-])=O	7546
+CC(C)(C)OC(=O)NC1(CC#Cc2nc(ccn2)-c3ccc(cc3)C(F)(F)F)C(=O)N(CC1)C	1467
+CC(C)(C)OC(=O)NC1(C(=O)N(CC1)C)CC#Cc2nc(cc(n2)C)-c3ccc(cc3)C(F)(F)F	1467
+CC(C)(C)OC(NC1(C(OC)=O)CC1CC)=O	732
+CC(C)(C)[Si](C)(C)OC1C(NC(OC(C)(C)C)=O)(CCC1)C=O	59
+CC(C)(C)OC(=O)NC1(C(O)=O)C(CC)C1	4
+CC(C)(C)OC(=O)NC1(CC(C1)O)C2CC(N(Cc3ccccc3)C2)=O	118
+CC(C)(C)OC(NC1(CC(C1)OCc2ccccc2)C3CC(=O)N(Cc4ccccc4)C3)=O	4183
+CC(C)(C)OC(=O)NC1(CC1)C(=O)NCc2ccc(cc2)-n3c4c(c(Cl)c3-c5noc(n5)C)cccc4	9
+CC(C)(C)OC(NC1(CC1)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)NC1(CC1)CC(=O)O	1405
+CC(C)(C)OC(NC1(CC1)CCO)=O	118
+CC(C)(C)OC(NC1(CC1)CNc2cc(Nc3cccc(C(C)(C)C)n3)c(C(=O)N)nn2)=O	232
+CC(C)(C)c1cccc(Nc2cc(nnc2C(=O)N)NCC3(CC3)N)n1	12
+CC(C)(C)OC(=O)NC1(CC1)C2CCCCN2	4201
+CC(C)(C)OC(=O)NC1(C(C=C)C1)C(=O)NS(=O)(=O)C2(CC2)CCC	344
+CCOC(C1(N)C(C1)C=C)=O	689
+CC(C)(C)OC(NC1(CCC(Nc2c3cc(cn3ncc2C(=O)N)C(O)=O)C1(C)C)C)=O	6
+CC(C)(C)OC(NC1(CCC(Nc2c(C(=O)N)cnn3cc(cc23)C(NN)=O)C1(C)C)C)=O	1325
+CC(C)(C)OC(=O)NC1(CCN(CC1)C(OCC)=O)CCN	51
+c1cc(ccc1Cl)C(NC(C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)=O)CCO	84
+c1cc(ccc1Cl)C(CCNS(=O)(=O)C)NC(C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)=O	84
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(=O)NC(CC(OC)=O)c4ccc(cc4)Cl	9
+CC(C)(C)OC(NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(=O)NC(c4ccc(cc4)Cl)CCNS(=O)(=O)C)=O	9
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2ccc(S(=O)(=O)C)cn2)C	43
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2c([N+]([O-])=O)nccc2)C	2688
+CC(C)(C)OC(NC1(CCOCC1)CN)=O	51
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(C(=O)N)NC(=O)C3(CCOCC3)NC(OC(C)(C)C)=O	372
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3ccc4c(N(C(CO4)=O)C)c3)C(=O)N)=O	756
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3cc4c(OC(N4CCCOC)=O)cc3)C(=O)N)=O	756
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(Cc2ccc(cc2)-c3cc(C#N)ccc3)C(=O)N)=O	134
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3cc(F)c(cc3)F)C(=O)N)=O	134
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3cc(C#N)c(F)cc3)C(=O)N)=O	134
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(Cc2ccc(cc2)-c3cc(ccc3)OS(=O)(=O)C)C(=O)N)=O	134
+CC(C)(C)OC(NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc(C#N)ccc3)=O)=O	143
+C1COCCC1(N)C(NC(C#N)Cc2ccc(cc2)-c3cc(C#N)ccc3)=O	84
+CC(C)(C)OC(=O)NC1(CCCN(C1)c2c(cnc3c2CCC3)[N+]([O-])=O)C	264
+CC(C)(C)OC(NC(CO)(CO)c1oc2c(c1)cc(cc2)-c3noc(n3)-c4cc(Cl)c(cc4)OCCC)=O	1192
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)C2(O)C)=O	2799
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)C2=O)=O	86
+CC1(C)Cc2c(cc(NC(c3ccc(Br)cn3)=O)cc2)C4(NC(OC4)=N)C1	7547
+CC(C)(C)OC(NC=1CC(C(=O)N(CCC)CCC)=Cc2c(cc(cc2)-c3ccc(cc3)O)N=1)=O	11
+c1ccccc1C(=O)N2CC(C(=O)N(c3ccccc23)C)N	84
+c1ccccc1C2C(C(=O)N(c3ccccc3O2)CC#C)N	84
+c1c(cc2N(C(=O)C(COc2c1)N)C)F	84
+CC(C)(C)OC(NC1CN(c2ccc(C)cc2NC1=O)C3CCCCC3)=O	460
+CC(C)(C)OC(NC1C(N(Cc2ccccc2)c3c(N)cccc3C1)=O)=O	1126
+CC(C)(C)OC(NC1C(C)N(CCC1)c2nc(c(nc2)C(N)=O)Nc3ccc(cc3)C4CCN(CC4)C5CCCC5)=O	1198
+CC(C)(C)OC(NC1C(CC(C(N)=O)CC1)OC)=O	83
+CC(C)(C)OC(NC1CCCC1Nc2ncc(C(F)(F)F)nc2C)=O	4202
+CC(C)(C)OC(NC1C(CCCC1)CN)=O	51
+CC(C)(C)OC(=O)NC1CCCCC1CNc2c(F)cnc(n2)-c3c4cc(Cl)cnc4n(c3)S(=O)(=O)c5ccc(cc5)C	4126
+CC(C)(C)OC(=O)NC1C(CCCC1)CC#N	300
+CC(C)(C)OC(NC1CCCCC1CN=[N+]=[N-])=O	133
+CC(C)(C)OC(NC1COCCC1Nc2cc(Nc3ccc(c(n3)OC)C(C)C)c(C(=O)N)nn2)=O	232
+CC(C)(C)OC(NC1C(CN(CCOS(=O)(=O)C)CC1)OC)=O	7
+CC(C)(C)OC(=O)NC1C(OC)CN(CC1)CCN2C(=O)C=Nc3ccc(cc23)OC	7548
+CC(C)(C)OC(=O)NC1C(OC)CN(CC1)CCN2C(C=Cc3c2cc(cc3)C#N)=O	2848
+CC(C)(C)OC(=O)NC1C(OC)CN(CCN2C(C=Cc3ccc(cc23)Br)=O)CC1	2848
+CC(C)(C)OC(=O)NC1C(CN(C1)Cc2ccccc2)O	2118
+CC(C)(C)OC(NC1C(=O)N(c2c(C1)cccc2N(C(C)=O)CC)Cc3ccccc3)=O	192
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)C(N)CC1)Cc2cccnc2	84
+CC(C)(C)OC(NC1C(C)N(CCC1)c2nc(c(nc2)C#N)Nc3ccc(cc3)C4CCN(CC4)C5CCCC5)=O	1410
+CC(C)(C)OC(=O)NC1CCCCC1Nc2nnc(c(Nc3nc(C(C)(C)O)ccc3)c2)C(N)=O	232
+CC(C)(C)OC(=O)NC1C(Nc2cc(Nc3cc(C)cc(C)c3)c(nn2)C(N)=O)CCCC1	232
+CC(C)(C)OC(=O)NC1CCCCC1Nc2nnc(C(N)=O)c(Nc3cccc(n3)OCC)c2	232
+CC(C)(C)OC(=O)NC1C(CCCC1)Nc2cc(Nc3nc(cc(C)c3)C)c(nn2)C(N)=O	232
+CC(C)(C)OC(NC1CCCCC1Nc2ncc3c(c(C(Nc4ccc5c(n4)ccnc5)=O)cs3)n2)=O	798
+CC(C)(C)OC(NC1CCCCC1Nc2cc(C#N)c(c(n2)Nc3cc4c(cn[nH]4)cc3)C(=O)OC)=O	70
+CC(C)(C)OC(NC1CCCCC1Nc2c3c(ccc(C)c3)nc(Cl)n2)=O	40
+CC(C)(C)OC(=O)NC1C(Nc2nc(c(C(OC)=O)c(c2)C#N)-c3cnn(C)c3)CCCC1	70
+CC(C)(C)OC(NC1C(Nc2cnc(c(n2)Cl)C#N)CCCC1)=O	464
+CC(C)(C)OC(=O)NC1C(Nc2cnc(c(c2)Br)C#N)CS(=O)(=O)CC1	2849
+C1C(C)CCCCCCCC(C(=O)NC(C(NC1C(O)CC(C)C(NCCCC)=O)=O)C)N	84
+CC(C)(C)[Si](C)(C)OC1CCC(C(=O)NC1)NC(=O)OC(C)(C)C	19
+CC(C)(C)OC(=O)NC1C(CCCC1)Nc2cnc(c(Nc3cc(ccc3)-c4ncccn4)n2)C#N	1410
+FC(F)(F)COc1cc(CC2CSCC(NC(OC(C)(C)C)=O)C2O)cc(c1[N+]([O-])=O)F	57
+CC(C)(C)OC(=O)NC1CC(C(OCC)=O)CCC1OS(=O)(=O)C	7
+c1cc(ccc1)COC(=O)N2CCC(N)C(O)C2	12
+CC(C)(C)OC(NC1CC1c2cc(C(=O)Nc3cnn(CC)c3)ccc2)=O	1404
+C1CC1CN2C(=O)C(C(c3ccccc3)Oc4ccccc24)N	84
+C1CC(=O)Nc2c1c(Oc3ccc4OC5C(c4c3)C5N)ccn2	12
+CC(C)(C)OC(=O)NC1CC(CC1)CO	460
+CC(C)(C)OC(=O)NC1CC(C)CNC1	25
+CC(C)(C)OC(NC1CC(C1)CN)=O	18
+CC(C)(C)OC(=O)NC1CC(C1)COS(=O)(=O)C	7
+CC(C)(C)OC(=O)NC1CC(CC(c2c(cncc2)NC(=O)c3nc(-c4c(cc(cc4F)C=O)F)c(F)cc3)C1)C	245
+CC(C)(C)OC(=O)NC1CC(c2nc(C(F)(F)c3ccccc3)no2)CC1	4155
+CC(C)(C)OC(=O)NC1CC(CC1)c2nc(-c3ccccc3)no2	4203
+CC(C)(C)OC(=O)NC1CCC(Nc2nc3cc(OC)ccc3c(C)c2)C1	554
+CC(C)(C)OC(=O)NC1CC(Nc2c3c(n(cc3)S(=O)(=O)c4ccccc4)ncc2[N+]([O-])=O)CC1	2048
+CC(C)(C)OC(NC1CCC(C(CCC)C1)N2C(=O)C(Nc3c4c(ccc(Cl)c4)ncn3)CC2)=O	2801
+CC(C)(C)OC(NC1CCC(NC(=O)C(CCSC)NC(=O)OCc2ccccc2)C(CCC)C1)=O	9
+CC(C)(C)OC(NC1CC(CC1)N)=O	102
+CC(C)(C)OC(=O)NC1CCC(OS(=O)(=O)C)C1	7
+CC(C)(C)OC(=O)NC1CC(C(CC1)COS(=O)(=O)C)OC	7
+CC(C)(C)OC(NC1CC(CC(c2c(NC(=O)c3ccc(c(Br)n3)F)cncc2)C1)C)=O	510
+c1cc(ccc1C2C(C2)N)Br	12
+CC(C)(C)OC(NC1CC1c2ccc(cc2)OCc3c(F)cccc3)=O	22
+c1cc(ccc1C2CC2N)OC	12
+c1cc(ccc1C2CC2N)OCc3c(F)cccc3	12
+CC(C)(C)OC(NC1C(c2cccc(C(=O)O)c2)C1)=O	1
+CC(C)(C)OC(NC1CC2=CCC3C(CCC4(C3CCC4c5nnn(Cc6ccccc6)c5)C)C2(CC1)C)=O	642
+c1cc(ccc1)CON2C(=O)C(CC=CC2)N	84
+c12c(c(C3=CCC(CC3)NC)c[nH]1)nccc2	352
+CC(C)(C)OC(NC1C(CC(C(O)=O)CC1)OC)=O	4
+CC(C)(C)OC(=O)NC1CCC(C)N(S(=O)(=O)c2ncccc2)CC1O	2043
+CC(C)(C)OC(NC1CC(NC(OCc2ccccc2)=O)CC1)=O	7549
+CC(C)(C)OC(NC1CC(CC1)C(ON=C(C(F)(F)c2ccccc2)N)=O)=O	4075
+CC(C)(C)OC(NC1CCC(CC1)CC=O)=O	578
+CC(C)(C)OC(=O)NC1CCC(CC1)CNc2nc(NCc3c(I)cccc3)ncc2[N+](=O)[O-]	96
+C1CC(CCC1NC(c2cc(c(cc2)F)F)=O)N	12
+C1CC(CCC1N)NC(c2ccc(-c3cccc(c3)F)nc2)=O	12
+CC(C)(C)OC(NC1CCC(C(=O)OC)CC1OC)=O	76
+CC(C)(C)OC(=O)NC1CCC(N2CCC(NC(=O)OCc3ccccc3)C2=O)C(CCC)C1	7550
+c1cc(ccc1)CN2CC3CCC(NC)C3C2	352
+C1CCC(C(OC)=O)CC1N	12
+CC(C)(C)OC(=O)NC1C(CCC1)(F)C	1138
+CC(C)(C)OC(NC1CCCC1CO)=O	21
+CC(C)(C)OC(=O)NC1CCCC1C=O	24
+CC(C)(C)OC(NC1C(NC(C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)CCCCCCC1)=O)=O	460
+CC(C)(C)OC(NC1CCCC=CCCC(C)CC(NC(=O)C(C)NC1=O)C(CC(C)C(NCCCC)=O)O)=O	248
+CC(C)(C)OC(=O)NC1C(CCCC1)C(OC)=O	167
+C1CCCC(CN=[N+]=[N-])C1N	12
+CC(C)(C)OC(NC1C(CCCC1)Nc2nc(nc3ccc(C)cc23)NCc4ccc(cc4)OC)=O	798
+N#Cc1cc(nc(Nc2cc3c(c[nH]n3)cc2)c1C(=O)OC)NC4CCCCC4N	12
+c1sc2c(nc(nc2)NC3CCCCC3N)c1C(=O)Nc4ccc5c(ccnc5)n4	12
+CC(C)(C)OC(NC1CCCCNC1)=O	62
+CC(C)(C)OC(=O)NC1CCNCCC1	62
+CC(C)(C)OC(NC1CCCNC1C)=O	62
+CC(C)(C)OC(NC1CCCN(c2c(cncc2)N)C1)=O	13
+FC(F)(F)c1cc(cc(N)c1)Nc2nc(c3c(CCCC3)n2)N4CCCC(C4)NC(=O)OC(C)(C)C	55
+CC(C)(C)OC(=O)Nc1c(C(Nc2c(ccnc2)N3CC(NC(=O)OC(C)(C)C)CCC3)=O)c4c(o1)cc(cn4)CC	7551
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(c[nH]c3ncc2Cl)NC(CC)=O)C1	308
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(NC(=O)CCC)c[nH]c3ncc2Cl)C1	308
+CC(C)(C)OC(NC1CCCN(c2n(Cc3ccccc3Cl)c4c(c2C(=O)C)N(C(N(C4=O)C)=O)C)C1)=O	716
+CC(C)(C)OC(NC1CN(c2n(c3c(N(C(=O)N(C3=O)CC(=O)c4ccccc4O)C)n2)CC=C(C)C)CCC1)=O	4116
+CC(C)(C)OC(=O)NC1CCCN(c2nc(Nc3ccc(cc3)N(CC)CC)c(C(=O)N)cc2)C1	43
+CC(C)(C)OC(NC1CCCN(C1)c2c([N+]([O-])=O)cncc2)=O	264
+FC(F)(F)c1cc([N+](=O)[O-])c(N2CC(NC(=O)OC(C)(C)C)CCC2)cc1	34
+FC(F)(F)c1cnc2c(c(NC(c3nccnc3)=O)c[nH]2)c1N4CC(NC(=O)OC(C)(C)C)CCC4	1635
+CC(C)(C)OC(=O)NC1CN(CCC1)S(=O)(=O)c2cccc(c2C)Cl	92
+CC(C)(C)OC(NC1CCCN(C2C(O)Cc3ccc(cc23)S(=O)(=O)C)C1)=O	3959
+CC(C)(C)OC(=O)NC1CN(c2c3c(NC(c4cc(F)ccc4)=O)c[nH]c3ncc2Br)CCC1	1610
+CC(C)(C)OC(=O)NC1CN(c2c(cnc3c2c(c[nH]3)NC(c4nccnc4)=O)Br)CCC1	1610
+CC(C)(C)OC(NC1CCCN(c2c3c(ncc2Cl)[nH]cc3N)C1)=O	1610
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(NCCC3)ncc2[N+](=O)[O-])C1	4204
+CC(C)(C)OC(NC1CN(CCC1)C(c2ccc(c(c2)[N+](=O)[O-])NC)=O)=O	30
+CC(C)(C)OC(=O)NC1CN(c2c(cnc3CCCc23)[N+](=O)[O-])CCC1	264
+CC(C)(C)OC(NC1CN(CCC1)C(c2cc(c(c(c2)OC)NC)[N+](=O)[O-])=O)=O	30
+CC(C)(C)OC(=O)NC1CCCN(c2nc(Nc3ccc(cc3)C(N4CCOCC4)=O)c(C(=O)N)cc2)C1	43
+CC(C)(C)OC(=O)NC1CN(c2nc3c(cc2)ncnc3N)CCC1	286
+CC(C)(C)OC(NC1C(N(c2nc(Cl)c(nc2)C#N)CCC1)C)=O	317
+CC(C)(C)OC(NC1CCN(C(C(F)(F)F)c2ccc(nc2)NN)C1)=O	383
+CC(C)(C)OC(NC1CCN(C1)C(C(F)(F)F)c2cnc(cc2)NN=Cc3nc4c(cc3)cc(F)c(OCC)c4)=O	1698
+C1(OC)CN(CCC1N)C	12
+FC(F)(F)C(N1CCC(NC(OC(C)(C)C)=O)C1)c2cn3c(cc2)nnc3-c4nc5c(cc4)cc(F)c(OCC)c5	2149
+CCC(=O)N1CC(CC1)N	12
+CC(C)(C)OC(=O)N(C1CN(CC1)c2ccc(cc2)[N+]([O-])=O)C	397
+C1N(CCC1N)C2C(N=[N+]=[N-])CCCC2	12
+c1(N2CC(OC2=O)Cn3nncc3)ccc(N4CCC(N)C4)c(F)c1	12
+CC(C)(C)OC(NC1CCN(c2c(F)cc(N3C(=O)OC(CN=[N+]=[N-])C3)cc2)C1)=O	133
+CC(C)(C)OC(NC1CCN(c2c(cc(cc2)N3C(=O)OC(C3)COS(=O)(=O)C)F)C1)=O	7
+n1ccn2ccnc(N3CCC(N)C3)c12	12
+CC(C)(C)OC(=O)NC1CN(C(CC(C)C)C(=O)Nc2cc(c(cc2)-c3ocnc3)OC)CC1	2150
+CC(C)(C)OC(=O)NC1CCN(C1)c2ncccc2C(OC(C)C)=O	43
+CC(C)(C)OC(NC1CCN(C1)C(CC)=O)=O	58
+CC(C)(C)OC(NC1CN(c2c(cc(c(F)c2F)C(=O)OCC)F)CC1)=O	34
+C[Si](C)(C)CCOCn1c2c(c(ccn2)N3CCC(NC(OC(C)(C)C)=O)C3)c4cc(ncc14)C#N	1635
+FC(F)(F)c1ccnc(COCC(=O)N2CC(NC(OC(C)(C)C)=O)CC2)c1	10
+CC(C)(C)OC(=O)NC1CCN(C1)c2nc(-c3c(cccc3)O)nc4c2ccc(c4)C	54
+CC(C)(C)OC(NC1CN(c2nccn3cccc23)CC1)=O	7552
+CC(C)(C)OC(NC1CN(CC1)c2ccc(c(F)c2F)C(=O)OCC)=O	34
+CC(C)(C)OC(NC1CN(CC1)c2nc(nc3CCCc23)N)=O	54
+c1cc(ccc1)C(c2ccccc2)CC(N3CC(NC(OC(C)(C)C)=O)CC3)=O	10
+CC(C)(C)OC(NC1CCN(C1)c2ccc(cc2)[N+]([O-])=O)=O	34
+CC(C)(C)OC(NC1CCN(C1)c2ccc(cc2)S(=O)(=O)N(C)C)=O	34
+CC(C)(C)OC(NC1CN(CC1)c2cc(nc(N)n2)C=Cc3ccccc3)=O	54
+CC(C)(C)OC(NC1CCN(c2nccn3ccnc23)C1)=O	2072
+CC(C)(C)OC(NC1CN(CC1)c2nc3c(cc(cn3)Cl)nc2Cl)=O	317
+CC(C)(C)OC(=O)NC1CCOCC1CO	44
+CC(C)(C)OC(=O)N(C1c2c(cc(cc2)C#N)OCC1)C	397
+c1cc(ccc1)CC2c3cc(ccc3CCC2N)CNS(=O)(=O)CCC	12
+CC(C)(C)OC(NC1CCc2ccc(cc2C1Cc3ccccc3)CN)=O	107
+CC(C)(C)OC(NC1CCc2c(cc(cc2)CNS(=O)(=O)CCC)C1Cc3ccccc3)=O	111
+CC(C)(C)OC(=O)NC1C(N(c2c(ccc(C)c2)N(C1)C(=O)C3CCCCC3)CC(=O)c4ccccc4C)=O	4041
+CC(C)(C)OC(NC1CNCC(C1(O)C)C)=O	62
+C1CC1Cn2c(cc3cccnc23)-c4n(c5c(cc(cc5OC)C(N6CC(CCC6)N)=O)n4)C	12
+C1C(CN1C(=O)c2ccc(c(F)c2Nc3c(cc(cc3)I)F)F)N	12
+CC(C)(C)OC(NC1CN(C1)c2cc3c(nc2)n(S(=O)(=O)c4ccc(cc4)C)cc3I)=O	276
+CC(C)(C)OC(NC1CN(C1)c2cc3c(c[nH]c3nc2)I)=O	1361
+C1N(CC1N)c2ccccn2	12
+CC(C)(C)OC(NC1C(C(C2CC2)CN(c3c4CCCc4[n+]([O-])cc3[N+]([O-])=O)C1)O)=O	103
+CC(C)(C)OC(N(C)C1CCN(C(C2CC2)=O)C1)=O	397
+c1ccccc1C=Cc2nc(nc(N3CCC(C3)N)c2)N	12
+CC(C)(C)OC(NC1CN(c2ccc(cc2)C(=O)O)CC1)=O	1
+NC1CCN(c2c3c(nc(N)n2)CCC3)C1	12
+Clc1cnc2c(c1)n3c(c(n2)N4CCC(N)C4)nnc3	12
+CC(C)(C)OC(NC1CN(CC1)c2nc3c(cc(cn3)Cl)nc2NN)=O	1386
+CC(C)(C)OC(NC1CN(CC1)c2nc3c(cc(Cl)cn3)n4cnnc24)=O	2825
+CC(C)(C)OC(NC1CNCC1O[Si](C)(C)C(C)(C)C)=O	25
+C1CC1Cn2c(cc3c2nccc3)-c4n(c5c(n4)cc(cc5)C(N6CC(CCC6)N)=O)C	12
+CC(C)(C)OC(=O)NC1C(Nc2c(cc(C#N)c(Cl)n2)F)CCN(C(C)=O)C1	70
+CC(C)(C)OC(NC1CCCCNC1)=O	25
+NC1CCN(c2c3cccn3ccn2)C1	12
+CC(C)(C)OC(NC1CN(C1)c2ncccc2)=O	43
+CC(C)(C)OC(NC1CN(C1)C(=O)c2ccc(c(F)c2Nc3c(cc(cc3)I)F)F)=O	30
+CC(C)(C)OC(=O)NC1CN(c2c3c(ncc2[N+]([O-])=O)OCC3)CC(C)C1(C)O	4204
+CC(C)(C)OC(=O)NC1C(N(c2ccccc2NC1)C)=O	239
+CC(C)c1c(nc(cc1)Nc2cc(NC3C(N)COCC3)nnc2C(=O)N)OC	12
+CN(C)C(CCCOc1cc2c(cc1)CCC(N)C2)=O	12
+CC(C)(C)OC(NC1Cc2c(CC1)ccc(c2)OCCCC(O)=O)=O	3
+CC(C)(C)OC(NC1Cc2c(CC1)ccc(OCCCC(=O)N(C)C)c2)=O	10
+CC(C)(C)OC(NC1Cc2c(c([N+](=O)[O-])ccc2)NC1=O)=O	562
+CC(C)(C)OC(NC1C(=O)Nc2c(cccc2N)C1)=O	0
+CC(C)(C)OC(NC1Cc2c(CC1)ccc(c2)OCCCC(=O)OCC)=O	8
+O(c1ncc(cc1)C(=O)N)c2cc3c(CC(N)C3)cc2	12
+CC(C)(C)OC(=O)N(C)C1C(c2c(cccc2)C1)Cc3cc(Cl)c(cc3)Cl	397
+CC(C)(C)OC(=O)NC1c2cc(ccc2N(C(C1C)C3CC3)C(=O)C)Br	192
+CC(C)(C)OC(=O)NC1C(OC)Cc2ccccc12	76
+CC(C)(C)OC(=O)NC1c2cccc(c2CC1)-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3	529
+CC(C)(C)OC(=O)NC1CCCC(C(Nc2cnn(C(F)F)c2-c3nccc1c3)=O)C	7553
+C(C)CN(CCC)C(C1=Cc2c(cc(-c3ccc(cc3)O)cc2)NC(=N)C1)=O	7554
+CC(C)(C)OC(NCc1cn(CCON2C(=O)c3ccccc3C2=O)nn1)=O	642
+CC(C)(C)OC(=O)NCC#CC=1c2c(cnc(n2)SC)C(N(c3c(Cl)cccc3Cl)C=1)=O	7555
+C1COCCN1c2ccc(cc2)Nc3nc4C(C#CCN)=CN(c5c(cccc5Cl)Cl)C(=O)c4cn3	7556
+CC(C)(C)OC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(c(Cl)c3)Oc4ccc(C)nc4)c2c1	7557
+CC(C)(C)OC(NCC(NC(c1ccc(cc1)-c2ccccc2)CC#N)=O)=O	143
+CC(C)(C)c1cc(c(s1)CNC(=O)CN)NC(Nc2ccc(cc2)C)=O	84
+CC(C)(C)OC(=O)NCC(c1nnc2cc(-c3ccnc(n3)Nc4n(C)ncc4)cc(F)n12)Cc5cnc(OC)cc5	757
+CC(C)(C)OC(NCC(C(NNc1nc(cc(c1)-c2nc(ncc2)Nc3n(C)ncc3)F)=O)Cc4cnc(OC)cc4)=O	355
+CC(C)(C)OC(=O)NCC(C)(C)CC(=O)Oc1ccc(cc1)[N+]([O-])=O	2850
+O=S(=O)(NCC(C)(C)CN)c1cccc2c1ccnc2	12
+CC(C)(C)OC(NCC(C)(C)c1ccc(cc1)N)=O	0
+c1c(c(O)ccc1)C(=O)NC(CN)C	12
+CC(C)(C)OC(=O)NCC(C)OCCO	118
+CC(C)(C)OC(=O)NCC(C)c1ccc(cc1)C#Cc2ccc(cc2)OCCC	129
+CC(C)(C)OC(=O)NCC(C(Oc1cccc2ccc(nc12)-c3nnc4n3cccc4)CC)CC	1346
+CC(C)(C)OC(=O)NCC(CCOc1ccc(cc1)C#N)OS(=O)(=O)C	7
+CC(C)(C)OC(=O)NCC(CN1CCC(CC1)Oc2ccc(cc2)F)NC(C=Cc3c(ccc(c3)C#N)OC)=O	711
+CC(C)(C)OC(NCC(CN1CCC(CC1)Oc2ccc(cc2)F)N)=O	102
+CC(C)(C)OC(NCC1CN(c2cc3CC(N(CCC)c3c(c2)F)=O)C(=O)O1)=O	2151
+CC(C)(C)OC(NCC1CN(c2cc(F)c3c(CC(=O)N3CCF)c2)C(=O)O1)=O	2151
+CC(C)(C)OC(NCC1CN(C(=O)O1)c2cc(F)c3c(CC(=O)N3C4CC4)c2)=O	2151
+CC(C)(C)OC(NCC1OC(N(C1)c2cc3CC(N(CC4CC4)c3cc2)=O)=O)=O	2151
+CC(C)CN(C(=O)CN)CC(=O)OC	84
+CC(C)(C)OC(=O)NCC(NC(c1c[nH]c2c1cc(cc2)Cl)=O)c3c4cc(Cl)ccc4[nH]c3	56
+C1Cc2c(ccc(F)c2Br)C(CC(=O)O)N1C(CN)=O	84
+C1CC(CCN1C(=O)CN)(C(NCc2c(cccn2)C)=O)COC(=O)Nc3ccc(cc3)CC	84
+N#CC1CCCN1C(=O)CN	84
+CC(C)(C)OC(NCC(N1CCCC1C#N)=O)=O	143
+CC(C)(C)OC(NCC(N1C(c2c(CC1)c(Br)c(cc2)F)CC(O)=O)=O)=O	4
+CC(C)(C)OC(=O)NCC(C)N	18
+c1ccccc1-c2ccc(cc2)C(CC#N)NC(CN)=O	84
+CC(C)(C)OC(NCC(=O)NC(c1ccc(cc1)-c2ccccc2)CC(N)=O)=O	83
+c1cc(ccc1)-c2[nH]c3c4c(ccc3)C(NC(CN)=O)CCc24	84
+CC(C)(C)OC(=O)NCC(N)c1cc(cc(c1)F)Br	499
+C1CN(CCN1c2nccn3c(cnc23)-c4cccc(n4)NC(CN)c5ccccc5)C	12
+CC(C)(C)OC(NCC(=O)NCc1sc(cc1NC(Nc2ccc(cc2)C)=O)C(C)(C)C)=O	9
+CC(C)(C)OC(NCC(N(CC(C)C)CC(OC)=O)=O)=O	478
+CC(C)(C)OC(NCC(OC1C(Nc2c(ccc(-n3c4CC(C)(C)CC(c4c(CC)n3)=O)c2)C(N)=O)CCCC1)=O)=O	27
+CC(C)(C)OC(=O)NCC(N1CCN(CC1)C(c2c(C(F)(F)F)cccc2)=O)=O	10
+CC(C)(C)OC(NCC(N1CCc2c(Br)c(ccc2C1CC(=O)OC)F)=O)=O	10
+CC(C)(C)OC(=O)NCC(=O)N1CC(c2c(C1)cccc2)OC	10
+CC(C)(C)OC(NCC(NC1c2cccc3[nH]c(-c4ccccc4)c(CC1)c23)=O)=O	9
+CC(C)(C)OC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)OC	188
+CC(C)(C)OC(=O)NCC(OCc1ccc(cc1)Nc2cc(-c3c(ccc(Cl)c3)OCC)nc(N)n2)=O	1699
+CC(C)(C)OC(=O)NCC(NCCNC(=O)CC1c2n(-c3c(C(c4ccc(cc4)Cl)=N1)cc(cc3)OC)c(C)nn2)=O	9
+CC(C)(C)OC(=O)NCC(=O)NC(C(=O)OC)CCCCNC(OCc1ccccc1)=O	188
+CC(C)(C)OC(=O)NCC(N1CCN(CC1)Cc2sc3c(nc(nc3N4CCOCC4)-c5cnc(nc5)N)c2C)=O	10
+CC(C)(C)OC(=O)NCC(OS(=O)(=O)C)C	7
+CC(C)(C)OC(=O)NCC(CN(C)S(=O)(=O)c1c(cc(cc1)Cl)Cl)O	693
+CC(C)(C)OC(=O)NCC1OC(=O)N(c2cc3CCOC(=O)N(c3cc2)C)C1	7558
+CC(C)(C)OC(=O)NCC(COCC)N1C(c2ccccc2C1=O)=O	1579
+c1ccccc1C(CNC)c2ccc3[nH]ccc3c2	352
+CC(C)(C)OC(=O)NCC(c1ccc(cc1)Cl)CC(=O)Nc2ccccc2	33
+CC(C)(C)OC(NCC(c1ccccc1)NC(c2cc(c(Cl)cc2)NC(=O)c3c(O)nc4nc(nc(c4c3)C)OC)=O)=O	14
+CC(C)(C)OC(NCC1(CC12CCCCC2)C(NO)=N)=O	409
+CC(C)(C)OC(NCC1(C(C1)C(C)C)C(O)=O)=O	4
+CC(C)(C)OC(NCC1(CC1C(C)C)C(N)=O)=O	7559
+CC(C)(C)OC(NCC1(C(C)(C)C(CC1)Nc2c3n(cc(Br)c3)ncc2C(=O)N)C)=O	719
+CC(C)(C)OC(NCC1(C)C(C)(C)C(CC1)N)=O	102
+CC(C)(C)OC(NCC1(CC1)C(NNC(=O)C2CCC3N(OCc4ccccc4)C(=O)N2C3)=O)=O	1038
+CC(C)(C)OC(NCC1(CC1)C(=O)NN)=O	355
+CC(C)(C)OC(=O)NCC1(CC1)c2nnc(C3CCC4N(C(=O)N3C4)OCc5ccccc5)o2	1037
+CC(C)(C)OC(NCC1(C#N)C2(CCCCC2)C1)=O	143
+CC(C)(C)OC(=O)NCC1(CC12CCCCC2)C=3NC(=O)ON=3	3340
+CC(C)(C)OC(=O)NCC1(C#N)C(C(C)C)C1	143
+CC(C)(C)OC(N(C)CC1(c2ccccc2)C(C1)COCc3ccccc3)=O	397
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(CO)cc2C=1c3ccccc3)=O	49
+CC(C)(C)OC(NCC1CCC(CC1)C(CCc2ccccc2)=O)=O	2851
+CC(C)(C)OC(NCC1CCC(CC1)C(=O)N(OC)C)=O	164
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2cccc(c2)Br)C(OC)=O)=O)=O	188
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2ccc(cc2)Br)C(OC)=O)=O)=O	188
+CC(C)(C)OC(NCC1CCC(CC1)C(O)CCc2ccccc2)=O	100
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2cc(ccc2)-c3cnc(nc3)N4CCOCC4)C(O)=O)=O)=O	1629
+CC(C)(C)OC(NCC1CCC(CC1)C(=O)NC(C(=O)O)Cc2ccc(cc2)-c3c(cc(cc3)C(NC(C)C)=O)Cl)=O	4
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2ccc(cc2)-c3c(cc(cc3)C(NC(C)C)=O)Cl)C(OC)=O)=O)=O	14
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2ccc(cc2)-c3ccc(cc3Cl)C(=O)O)C(OC)=O)=O)=O	11
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(C(O)=O)Cc2cc(Br)ccc2)=O)=O	4
+C1CC(CCC1CN)C(O)CCc2ccccc2	12
+CC(C)(C)OC(NCC1CCC(CC1)C(=O)O)=O	1317
+CC(C)(C)OC(NCC1CCC(CC1)CNC(=O)c2c3c(cccc3)nc(-c4ccc(nc4)F)c2)=O	14
+CC(C)(C)OC(NCC1CCC(CC1)NS(=O)(=O)C(C)C)=O	111
+CC(C)(C)OC(NCC1CCC(CC1)N)=O	102
+c1ccccc1COC(NC2CCC(CC2)CN)=O	12
+C1CC(CCC1CN)NS(=O)(=O)C(C)C	12
+CC(C)(C)OC(NCC1CCC(CC1)c2ccc(cc2)NC(C(OC)=O)=O)=O	994
+CC(C)(C)OC(=O)NCC1CCC(CC1)c2ccc(cc2)NC(=O)C(NN)=O	2556
+CC(C)(C)OC(=O)NCC1CCCCN1C(CCCCCCCCCCCC)=O	58
+O=S(=O)(C)CCC(NC(=O)c1cc(c(cc1)C(=O)N2CCCC2CN)Cl)c3nc4cc(ccc4[nH]3)Cl	12
+CC(C)(C)OC(NCC1CCCN1C(=O)c2c(cc(cc2)C(=O)NC(c3nc4ccc(cc4[nH]3)Cl)CCS(C)=O)Cl)=O	441
+CC(C)(C)OC(NCC1CCCN1C(=O)c2c(cc(cc2)C(=O)NC(CCS(=O)(=O)C)c3nc4cc(ccc4[nH]3)Cl)Cl)=O	2852
+CC(C)(C)OC(NCC1CCN(CC1)CCN)=O	51
+C1CN(CCC1CN)CC2CCN(CC2)C(=O)OC	12
+CC(C)(C)OC(NCC1CCN(CC1)c2ncc(cc2NC(=O)c3cc(Cl)ccc3)S(=O)(=O)C)=O	660
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(C=O)nc23)=O	3353
+CC(C)(C)OC(NCC1CCN(CC1)c2cc(C(Nc3ccccc3)=O)ccc2N)=O	0
+CC(C)(C)OC(NCC1CCN(CC1)c2c3c(ccc(C(O)CO)n3)ccc2)=O	265
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(-c4n5ccc(I)cc5nn4)nc23)=O	2149
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(C=NNc4cc(I)ccn4)nc23)=O	1698
+C1CC(CCN1c2cccc3ccc(nc23)-c4n5ccc(C(O)CO)cc5nn4)CN	12
+CC(C)(C)OC(NCC1CCN(CC1)c2c(N)cc(S(=O)(=O)C)cn2)=O	13
+C1CN(CCC1CN)c2ncc(cc2NC(=O)c3cc(Cl)ccc3)S(=O)(=O)C	12
+CC(C)(C)OC(=O)NCC1CCN(Cc2c(Cl)c(Cl)ccc2)C1	48
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(C4OC(C)(C)OC4)nc23)=O	4205
+CC(C)(C)OC(NCC1CCN(CC1)CC#N)=O	1576
+CC(C)(C)OC(NCC1CCN(CC1)c2c3nc(ccc3cc(F)c2)-c4n5c(nn4)cccc5)=O	4205
+CC(C)(C)OC(NCC1CCN(CC1)c2cc(ccc2[N+](=O)[O-])C(Nc3ccccc3)=O)=O	202
+CC(C)(C)OC(=O)NCC1CN(C1)c2c(cc(C(=O)OCC)c(n2)C)C#N	43
+CC(C)(C)OC(NCC1OC(N(c2cc(c(C3CCN(CC3)C(=O)CO)cc2)F)C1)=O)=O	7560
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(cc2C=1c3ccccc3)CCC(OCC)=O)=O	159
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(cc2C=1c3c(F)cccc3)O)=O	16
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(C=O)cc2C=1c3ccccc3)=O	39
+CC(C)(C)OC(NCC=1N(C(=O)c2c(cc(OCC(N)=O)cc2)C=1c3ccccc3F)CC(C)C)=O	2805
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2c(C=1c3ccccc3)cc(cc2)CCC(=O)N)=O	83
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(cc2C=1c3ccccc3)CCC(O)=O)=O	3
+CC(C)(C)OC(NCCNC1Cc2c(C1)ccc(c2)Br)=O	110
+CC(C)(C)OC(NCCNC1CCN(CC1)C(=O)OCc2ccccc2)=O	110
+CC(C)(C)OC(=O)NCCOc1cnc(c(C)c1C(=O)OC)OC(C)C	458
+CC(C)(C)OC(=O)NCCN=[N+]=[N-]	310
+CC(C)(C)OC(NCCn1c(c(-c2cccc(c2)C#N)c(c1)C(=O)OC)Cl)=O	1878
+CC(C)(C)OC(NCCOc1c(OC)cc(-c2ccc3nc(C)cn3n2)cc1)=O	8
+CC(C)(C)OC(=O)NCCOc1cc(C)c(c(c1)C)Br	8
+CC(C)(C)OC(NCCN1CCCN(c2c(cnn2C)[N+](=O)[O-])CC1)=O	28
+C(CC#Cc1ccc(C(NC)=O)c(n1)NCC)N	12
+CC(C)(C)OC(NCCC(Nc1ccc(cc1)CCCCNC(OCc2ccccc2)=O)=O)=O	213
+CC(C)(C)OC(N(CCC(C)C)CC)=O	2802
+CC(C)(C)OC(NCCC(O)CO[Si](C)(C)C(C)(C)C)=O	19
+CC(C)(C)OC(NC(CN=[N+]=[N-])CCNC(OC(C)(C)C)=O)=O	133
+CC(C)(C)OC(=O)NCCC(Nc1ccc(cc1)CCCCN)=O	102
+CC(C)(C)OC(NCCC(=O)CO[Si](C)(C)C(C)(C)C)=O	86
+O(Cc1cccc(C)n1)c2cc(C(CCN)O)ccc2	12
+CC(C)(C)OC(=O)NCCC(N)c1ccccc1	45
+CC(C)(C)OC(=O)NCCC1(CCNCC1)O	25
+CC(C)(C)OC(=O)N(CCC1CCC(CC1)COC(C)=O)C	397
+c1(cc(C(CCCN)=O)ccc1Br)F	12
+CC(C)(C)OC(NCCCC(NC(=O)C)C(=O)N1CCCC1C(NCC(=O)OCc2ccccc2)=O)=O	348
+CC(C)(C)OC(NCCCC(C(=O)O)NC(C)=O)=O	188
+CC(C)(C)OC(NCCCC(C(O)=O)NS(=O)(=O)c1c(cc(F)cc1)Cl)=O	592
+CC(C)(C)OC(NCCCC(CO)NS(=O)(=O)c1c(cc(cc1)F)Cl)=O	21
+OC(C(=O)OC)CCCN	12
+O=S(=O)(NC(CO)CCCN)c1c(cc(cc1)F)Cl	12
+c1cc(ccc1)COC(CNC(=O)C2CCCN2C(C(CCCN)NC(=O)C)=O)=O	12
+CC(C)(C)OC(NCCCC(C(OC)=O)O)=O	325
+CC(C)(C)OC(=O)NC(CCCCNC(=O)OC(C)(C)C)COS(=O)(=O)C	7
+CC(C)(C)OC(NCCCCCCCC(N(CCCC)C)=O)=O	10
+CN(C(=O)CCCCCCCN)CCCC	12
+CC(C)(C)OC(NCCCCCCCCCCCO)=O	21
+c1(Cl)cc(cc(Cl)c1)Sc2nc3c(N)ncnc3n2CCCNCCCCCCN	12
+CC(C)(C)OC(NCCCCN(Cc1c(cccn1)-c2ccccc2)Cc3ncc(cc3C)C)=O	315
+O=S(=O)(c1ccc(cc1)CN(Cc2ncc[nH]2)Cc3nccn3C)NCCCCN	12
+CC(C)(C)OC(NCCCCNc1c2ccc(cc2ncc1N)OCc3ccccc3)=O	13
+CC(C)(C)OC(=O)NCCCCc1ccc(cc1)OCCN	102
+CC(C)(C)OC(=O)NCCCN1CCC2(CC1)CCN(C2)c3ncnc4[nH]cc(c34)Cl	778
+CC(C)(C)OC(NCCCN(C(C1=Nc2onc(C)c2C(N1Cc3ccccc3)=O)CC)C(c4ccc(cc4)C)=O)=O	115
+CC(C)(C)OC(=O)NCCCNc1c2c(ncc1N)cccc2	13
+CC(C)(C)OC(NCCCNn1c(nc2c[n+]([O-])c3ccccc3c12)COCC)=O	359
+CC(C)(C)OC(NCCCNn1c2c3ccccc3[n+]([O-])c(c2nc1COCC)N)=O	574
+C(C)OCc1nc2c(N)nc3c(c2n1NCCCN)cccc3	12
+CC(C)(C)OC(NCCCNn1c2c(c(N)nc3c2cccc3)nc1COCC)=O	445
+CC(C)(C)OC(NCCCOc1cc2c(c3c(nc(n3CCC)CCOC)c(N)[n+]2[O-])cc1)=O	574
+CC(C)(C)OC(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	445
+c1c2c(ccc1OCCCN)c3c(c(N)n2)nc(CCOC)n3CCC	12
+Cc1nc(N)nc(NCCCCC)c1CCCN	12
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2ncc(c(Nc3ccc(cc3)OCCCC(=O)OCC)n2)[N+]([O-])=O)=O	55
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2nc3c(cn2)ncn3-c4ccc(cc4)OCCCC(=O)OCC)=O	2853
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2nc3c(cn2)ncn3-c4ccc(cc4)OCCCC(O)=O)=O	3
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2nc(c(cn2)N)Nc3ccc(cc3)OCCCC(=O)OCC)=O	193
+CC(C)(C)OC(NCCCc1ccc(cc1)N)=O	0
+CC(C)(C)c1c(cccc1)OCCNC(=O)OC(C)(C)C	72
+CC(C)(C)OC(=O)NCCn1c2c(c(ncn2)N)nc1Sc3cc(OC)ccc3I	7561
+CC(C)(C)OC(NCCCn1c(nc2c1c3ccccc3nc2N)CCCC)=O	445
+CC(C)(C)OC(NCCCn1c2c(nc1CCCC)c[n+](c3c2cccc3)[O-])=O	359
+CC(C)(C)OC(NCCCn1c2cc(C(=O)O)ccc2nc1Nc3cc(OC)c(c(OC)c3)OC)=O	1
+c12n(CCCN)c(CCCC)nc1c(N)nc3c2cccc3	12
+CC(C)(C)OC(NCCCn1c(CCCC)nc2c([n+]([O-])c3c(cccc3)c12)N)=O	574
+C(C(=O)O)N(CC(=O)O)CCN	12
+C1CC(CCC1)CN(S(=O)(=O)c2ccccn2)CCN	12
+FC(F)(F)Oc1ccc(cc1)CN(CCCCC)CCN	12
+NCCN	12
+CC(C)(C)OC(NCCNCc1ccccc1OC(C)(C)C)=O	42
+CC(C)(C)OC(NCCNS(=O)(=O)c1cccc2c1cccc2N(C)C)=O	71
+CC(C)(C)OC(NCCNc1c(C)c(C)nc(Cl)c1[N+]([O-])=O)=O	105
+CC(C)(C)OC(NCCNCc1ccc(cc1)OC(F)(F)F)=O	42
+c1(O)ccc(-c2cc(-c3cccc(c3)C(=O)NCCN)nc(O)n2)cc1C	7562
+CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cc(Br)cc2cnccc12	71
+CC(C)(C)OC(=O)NCCNC(c1cc(cnc1)-c2sc(Nc3c(cccn3)Cl)nc2)=O	56
+CC(C)(C)OC(=O)NCCNCc1cc(c(OCc2ccccc2F)cc1)OC	42
+CC(C)(C)OC(NCCNc1nc(c2c(cccc2)n1)N(c3ccc(c(OC)c3)OC)C)=O	798
+CC(C)(C)OC(NCCNc1cc(OC)ccc1[N+]([O-])=O)=O	60
+CC(C)(C)OC(=O)NCCN1C(=O)c2c(C1)cc(cc2)Br	854
+CC(C)(C)OC(NCCNc1c(ccc(Br)c1)[N+](=O)[O-])=O	60
+CC(C)(C)OC(NCCNC1CCC(CC1)(CC(OCc2ccccc2)=O)O)=O	87
+CC(C)(C)OC(NCCNCc1cc(c(cc1)OCc2ccccc2)OC)=O	42
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCNC(CCCCCNCCNC(OC(C)(C)C)=O)=O	132
+CC(C)(C)OC(=O)NCCNC(=O)CCNC(=O)OCc1ccccc1	9
+CC(C)(C)OC(NCCNc1c2c(ncc1[N+](=O)[O-])cc(OCc3ccccc3)cc2)=O	105
+CC(C)(C)OC(=O)NCCNc1c2ccccc2nc(c1)-c3ccccc3O	105
+C12CC(CCC1(C)C3C(O)CC4(C(CCC4C(=O)NCCN)C3CC2)C)O	12
+c1cc(ccc1Cl)C=2c3c(ccc(c3)OC)-n4c(C)nnc4C(N=2)CC(NCCN)=O	12
+C1COCCN1C(NCCN)=O	12
+c1cc(ccc1NC(=O)ON2C(CCC2=O)=O)NC(NCCN)=O	12
+C(C)C=CCC=CCC=CCC=CCC=CCCCCOC(CC)C(NCCN)=O	12
+CC(C)(C)OC(NCCNC(=O)CC(NC(OC(C)(C)C)=O)CCCN)=O	102
+CC(C)(C)OC(=O)NCCNC(=O)Nc1ccc(cc1)N	7563
+CC(C)(C)OC(=O)NCCN(Cc1cn(C2OCCCC2)nc1I)C	678
+CC(C)(C)OC(=O)NCCN(Cc1cncn1-c2ccc(cc2)C#N)C	879
+C1CC(CCC1CC(NC2Cc3cccc(c3OB2O)C(O)=O)=O)NCCN	12
+FC(F)(F)C(=O)NCCNCCNC(OC(C)(C)C)=O	605
+CC(C)(C)OC(=O)NCCN(C(=O)c1ccc(cc1)F)Cc2ccc(c(OC)c2)OCc3ccccc3	115
+CC(C)(C)OC(NCCN(CCCCC)Cc1ccc(cc1)OC(F)(F)F)=O	61
+CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCN	12
+CC(C)(C)OC(NCCNc1c(C)c(nc(Oc2ccccc2)c1[N+]([O-])=O)C)=O	136
+CC(C)(C)OC(=O)NCCn1c2c(c(nc(c2C)C)Oc3ccccc3)nc1C	1700
+CC(C)(C)OC(NCCNc1c(C)c(C)nc(c1N)Oc2ccccc2)=O	13
+CC(C)(C)OC(NCCn1c2c(ccc(Br)c2)nc1)=O	2854
+CC(C)(C)OC(NCCNc1c(ccc(Br)c1)N)=O	0
+CC(C)(C)OC(NCCNc1c(cnc2c1ccc(c2)OCc3ccccc3)N)=O	13
+CC(C)(C)OC(NCCNc1cc(ccc1N)OC)=O	0
+NCCNc1nc(c2ccccc2n1)N(C)c3ccc(c(c3)OC)OC	12
+CC(C)(C)OC(NCCOCCNc1c2c(cccc2)ncc1N)=O	13
+CC(C)(C)OC(NCCOCCn1cnc2cnc3c(c12)cccc3)=O	919
+CC(C)(C)OC(NCCOCCOCC)=O	481
+CC(C)(C)OC(=O)NCCOCCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)NCCOCCOc1cc([N+]([O-])=O)ccc1	20
+C(COCCN)OCC	12
+C(CCCCC)OCCOCCN	12
+C(CCOCCOCCN)CCCCl	12
+CC(C)(C)OC(NCCOCCOCCNC(=O)COc1c(OC)cc(C=CC(=O)OC)cc1)=O	9
+CC(C)(C)OC(NCCOCCOCCNC(COc1ccc(C=CC(O)=O)cc1OC)=O)=O	127
+O=C(CCCCC(=O)O)NCCOCCOCCOCCN	12
+CC(C)(C)OC(NCCOCCOCCOCCOCCC(Nc1nc(c(-c2ccc(c(c2)S(=O)(=O)C)Cl)s1)C)=O)=O	373
+CC(C)(C)OC(NCCOCCOCCOCCOc1c(OC)c(OC)cc(C=O)c1)=O	494
+CC(C)(C)OC(NCCOCCn1c2c(c(N)nc3c2cccc3)nc1)=O	445
+CC(C)(C)OC(NCCOCCn1cnc2c(N)[n+](c3ccccc3c12)[O-])=O	574
+CC(C)(C)OC(NCCOCCn1cnc2c[n+](c3ccccc3c12)[O-])=O	359
+CC(C)(C)OC(NCCOc1c(OC)cc(-c2ccc3n(c(c(n3)C)-c4cc(c(N)nc4)C(F)(F)F)n2)cc1)=O	7564
+FC(F)(F)c1cc(cnc1N)-c2c(nc3ccc(-c4ccc(c(OC)c4)OCCN)nn23)C	12
+CC(C)(C)OC(NCCOc1cncc(-c2cc3CCC(=O)N(C)c3cc2)c1)=O	156
+C1C(CC1)(C=2c3cc(ccc3CCN=2)OCCN)c4nc(Cl)ccc4	12
+CC(C)(C)OC(NCCOc1c(OC)cc(cc1)NC(=O)c2[nH]cc(-c3ccc(cc3)Cl)c2)=O	187
+CC(C)(C)OC(NCCOc1ccc(cc1)NS(=O)(=O)c2ccccc2)=O	69
+CC(C)(C)OC(NCCOc1ccc(cc1)N)=O	0
+c1ccccc1S(=O)(=O)n2c3c(cc2)cc(cc3)OCCN	12
+CC(C)(C)OC(NCCSSCCNC(c1cnccc1)=O)=O	56
+CC(C)(C)OC(NCCc1ccc(cc1N)C(C)C)=O	0
+CC(C)(C)OC(=O)NCCc1ccc(cc1O)C(C)C	16
+CC(C)(C)OC(NCCc1cn(C)c2c1cccc2)=O	144
+CC(C)(C)OC(NCCc1c2c(cc(N)cc2)[nH]c1)=O	0
+c1c(cc(CCN)cc1)C#N	12
+NCCc1cc(Cc2cccnc2)cc(CCC(OCC)=O)c1	12
+c1cc(ccc1F)Cc2cc(cc(CCC(OCC)=O)c2)CCN	12
+CC(C)(C)OC(NCCc1ccc(cc1)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(NCCc1ccc(cc1)CN(C)C)=O	2141
+CC(C)(C)OC(NCCc1c(cc(C(C)C)cc1)NC(=O)C(OCC)=O)=O	994
+C(CN)c1c2ccccc2n(C)c1	12
+n1(CCN)c(Cl)c(c(C(=O)OC)c1)-c2cc(ccc2)C#N	12
+CC(C)(C)OC(NCCn1ncc2c(cc(C3CC3)nc12)C(=O)O)=O	6
+C1CC(CCN1C(c2cc3ccn(CCN)c3cc2)=O)Oc4ccc(cc4)Cl	12
+CC(C)(C)OC(=O)NCCn1c2c(ncnc2Nc3ccc(Oc4cc(ccc4)OC(F)(F)F)c(C)c3)cc1	1190
+c1ccccc1COc2cc3n(CCNC3=O)n2	7565
+c1ccccc1COc2nn(CCN)c(C(OCC)=O)c2	12
+CC(C)(C)OC(NCc1c(nc(c(C(O)=O)c1-c2ccc(cc2)C)C)CC(C)C)=O	1
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(cc2)OCC#N)c1-c3ccc(cc3)C)=O	489
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(C(=O)O)cc2)c1-c3ccccc3)=O	1
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(OCC(=O)NC)cc2)c1-c3ccc(cc3)C)=O	9
+CC(C)(C)OC(NCc1c(c2c(ccc(OCc3[nH]nnn3)c2)nc1CC(C)C)-c4ccc(cc4)C)=O	420
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(OCC(=O)O)cc2)c1-c3ccc(cc3)C)=O	4
+CC(C)(C)OC(NCc1ccc(Cl)cc1CNC(=O)C2NCCCC2)=O	7566
+CC(C)(C)OC(NCc1c(Cl)c(N=C=S)c(Cl)c(F)c1)=O	1381
+CC(C)(C)OC(NCc1c(c(Cl)cc(C(OC)=O)c1)F)=O	128
+C1CN(CCN1c2c(cc([N+]([O-])=O)cc2C)CN)C	12
+c1c(CN)c(c(Cl)cc1C(=O)OC)F	12
+CC(C)(C)OC(NCc1c(c2c(ccc(OCCCCC(=O)N)c2)nc1CC(C)C)-c3ccc(cc3)C)=O	83
+CC(C)(C)OC(NCc1c(c2c(ccc(OCCCCC(=O)O)c2)nc1CC(C)C)-c3ccc(cc3)C)=O	3
+CC(C)(C)OC(NCc1c(cc(F)cc1)OCCCCS(=O)(=O)N(c2nc(C(=O)OC)c(c3c2cccn3)OC)C)=O	4206
+CC(C)(C)OC(NCc1c(nc(c(c1-c2ccc(cc2)C)C(OCCCC(=O)OCC)=O)C)CC(C)C)=O	1908
+CC(C)(C)OC(NCc1c(-c2ccc(cc2)C)c(c(nc1CC(C)C)C)C(OCC#N)=O)=O	7567
+CC(C)(C)OC(NCc1c(nc(c(c1-c2ccc(cc2)C)C(OCCCC(=O)O)=O)C)CC(C)C)=O	3
+c1cc(ccc1-c2cc3c(c(O)n2)cccc3CN)CN4CCN(CC4)C	12
+CC(C)(C)OC(=O)NCc1ccc(c(C(=O)Nc2ccc(OC)c(c2)C(Nc3ccc(cc3)Br)=O)c1)Cl	67
+CC(C)(C)OC(=O)NCc1cc(F)c(c(c1)F)Oc2cc(Oc3ccc(cc3)C#N)cc(C(=O)OCC)c2	46
+CC(C)(C)OC(NCc1cccc(NS(=O)(=O)C)c1)=O	80
+CC(C)(C)OC(=O)NCc1cc(ccc1)Nc2nc(Nc3c(C(=O)NC)cccc3)c(cn2)Cl	55
+CC(C)(C)OC(NCc1cc(C)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(OC)n1)=O	14
+CC(C)CCn1c(nc2cc(CN)ccc12)CN3c4ccccc4C(=O)N(C5CC5)C3=O	12
+CC(C)(C)OC(N(Cc1ccc2c(c1)nc(n2CCC(C)C)CN3c4ccccc4C(=O)N(C5CC5)C3=O)C)=O	397
+CC(C)(C)OC(NCc1c(CNC(C2N(C(=O)OCC3c4c(-c5c3cccc5)cccc4)CCCC2)=O)cc(Cl)cc1)=O	9
+CC(C)(C)OC(NCc1ccc(F)cc1OCCCCC(=O)O)=O	3
+CC(C)(C)OC(=O)NCc1ccc(c(c1)Cl)COC	49
+CC(C)(C)OC(=O)NCc1ccc(Cl)c(Nc2[nH]c3cc(c(Cl)cc3n2)N4C(CCC4)CN(C)C)c1	1701
+CC(C)(C)OC(=O)NCc1cc(Nc2n(C)c3c(n2)cc(C(=O)OCC)c(OCC(F)F)c3)c(Cl)cc1	1023
+c1(c(OCc2ccc(nc2)OC)ccc(c1)CN)OC	12
+c1cc(ccc1CN(CC(OCC)=O)CCCCN(CCC)CCC)CN	12
+O=S(=O)(N(Cc1ccc(cc1)F)Cc2ccc(cc2)CN)c3c(c(Cl)cc(Cl)c3)O	12
+CC(C)(C)OC(NCc1ccc(cc1)CNC(=O)N2CCN(CC2)C(=O)CN)=O	334
+CC(C)(C)OC(NCc1ccc(cc1)CN(CCCCN(CCC)CCC)CC(OCC)=O)=O	303
+CC(C)(C)OC(NCc1ccc(cc1)CN(S(=O)(=O)c2c(c(Cl)cc(Cl)c2)O)Cc3ccc(cc3)F)=O	92
+CC(C)(C)OC(NCc1cc(N)ccc1)=O	0
+CC(C)(C)OC(NCC1CCCCN1)=O	4201
+CC(C)(C)OC(N(Cc1ncccc1)C)=O	397
+C1CCCC1N2C(CC)C(=O)N(C)c3cnc(-c4ccncc4CN)nc23	12
+CC(C)(C)OC(NCc1cc(c(c(OC)n1)CN)C)=O	388
+CC(C)(C)OC(=O)NCc1nc2C(=O)N(C(=O)N(C)c2[nH]1)CCCCC(O)C	2152
+CC(C)(C)OC(=O)NCc1ncc(CC(N2CCc3ccccc3C2)=O)c4c1cc(OC)c(OC)c4	10
+NCc1ncc(c2cc(OC)cc(OC)c12)C(=O)N3Cc4c(cccc4)CC3	12
+FC(F)(F)c1c(sc(CNC(=O)OC(C)(C)C)n1)C#N	1812
+CC(C)(C)OC(=O)NCc1ncc(CO)s1	4124
+C1CCCC1N(N)c2c(Br)cnc(n2)C#N	2133
+CC(C)(C)OC(=O)NN(C1CCOCC1)c2nc(ncc2Br)C#N	738
+CC(C)(C)OC(NNC(C(c1cc(c(OC)cc1C)C(C)C)CCCCl)=O)=O	7568
+CC(C)(C)OC(=O)NNC(=O)c1ccc(C)c(-c2ccn3c(-c4c(cccc4)Cl)nnc3c2)c1	2031
+FC(F)(F)C=1N(C)C(N(C(=O)C=1)c2cc(C(NNC(=O)OC(C)(C)C)=O)c(Cl)cc2F)=O	7569
+CC(C)(C)OC(=O)NNC(=O)c1cc(nc(c1)N(S(=O)(=O)C)C)N(CCOC)CC2C(C)C2	2031
+CC(C)(C)OC(NNC(=O)c1ccccc1-c2nc3ccc(F)cn3c2Nc4c(cccc4C)C)=O	2031
+CC(C)(C)OC(=O)NNC(OCCc1ccc(cc1)[N+]([O-])=O)=O	7570
+CC(C)(C)OC(=O)NNC1CC2CC1CN2C(OCc3ccccc3)=O	3710
+CC(C)(C)OC(N(NC(=O)OC(C)(C)C)c1ccc2n(c(-c3occn3)cc2n1)Cc4ccccc4)=O	4207
+CC(C)(C)OC(=O)N(NC(=O)OC(C)(C)C)c1ccc2c(n1)cc(C#N)n2Cc3ccccc3	4207
+c1cc(ccc1C(=O)OC)C(=O)NN	1685
+c1(cccc(C)c1Nc2c(nc3ccc(F)cn23)-c4ccccc4C(NN)=O)C	1685
+CC(C)c1c(OC)cc(C)c(C(C(=O)NN)CCCCl)c1	2132
+CC(C)(C)OC(NN(c1c(Br)cnc(Cl)n1)C2CCOCC2)=O	7571
+CC(C)(C)OC(=O)Nn1c(COCC)nc2c(Cl)nc(C)c(C)c12	7572
+CC(C)(C)OC(NNc1c(N)c(nc(C)c1C)Cl)=O	13
+CC(C)(C)OC(=O)NNc1cc(C(=O)O)ccc1	1
+CC(C)(C)OC(=O)NN(C(C1C(C2(C)C(C)(C)C1CC2)=O)=O)c3c(cc(F)cc3)Cl	7573
+CC(C)(C)OC(=O)NOCCCCN1C(c2c(C1=O)cccc2)=O	7574
+CC(C)(C)OC(=O)NOCC(O)=O	4
+Cc1c(-c2c(cncc2)NC)cccc1	352
+CC(C)(C)OC(=O)N(C)c1cncnc1-c2c(C)cccc2	4136
+c1cc(ccc1-c2c(c(no2)C)N)Br	2809
+CC(C)(C)OC(=O)Nc1c(noc1-c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(NS(=O)(=O)C)=O)C	99
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)CC(NC(C)=O)C(=O)NCC(CC(C)(C)CC)O)cn(C)n1)=O	248
+c1cc(ccc1-c2c(nn(c2)C)N)CC(NC(=O)C)c3[nH]c(CC(C)(C)CC)cn3	451
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)CC(NC(=O)C)c3[nH]c(CC(C)(C)CC)cn3)cn(C)n1)=O	4186
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)CC(NC(C)=O)C(=O)NCC(CC(C)(C)CC)=O)cn(C)n1)=O	86
+CC(C)(C)OC(=O)Nc1ccc2c(c1-c3ccccc3)cccn2	495
+CC(C)(C)OC(Nc1sc(nc1C(=O)NC)-c2ccccc2)=O	2405
+CC(C)(C)OC(=O)Nc1c(c(C)ccc1)C(=O)Nc2ccc(cc2)C	67
+CC(C)(C)OC(Nc1c(C)ccc(c1)Oc2cnc(N)cc2)=O	161
+CC(C)(C)OC(Nc1cc(ccc1C)CC)=O	414
+CC(C)(C)OC(Nc1c(C)[n+](c(Cl)cc1)[O-])=O	103
+CC(C)(C)OC(Nc1c(C)nc(nc1C)OCC(N(C2CCNCC2)C)=O)=O	25
+CC(C)(C)OC(Nc1c(C)nc(nc1C)OCC(N(C)C2CCN(CC2)c3ccccc3)=O)=O	7575
+CC(C)(C)OC(Nc1c(C)nc(nc1C)OCC(=O)N(C)C2CCN(CC2)Cc3ccccc3)=O	10
+c12c(n[nH]c1ccc(C=O)c2)C=Cc3cnccc3N	78
+Cc1cc2c(F)cccc2[nH]1	7576
+CC(C)(C)OC(=O)Nc1cc(C#N)cc(c1Cl)C(CCO)C	1382
+c1(Nc2ncc3c(sc(NC(C)=O)n3)n2)c(Cl)cc(F)c(N)c1	78
+CC(C)(C)OC(Nc1c(F)cc(Cl)c(Nc2ncc3nc(NC(C)=O)sc3n2)c1)=O	290
+CC(C)(C)OC(Nc1c(F)cc(Cl)c(c1)Nc2nc3c(nc(N)s3)cn2)=O	2811
+C1CC1C(Nc2nc3ccc(nc3s2)Oc4cc(N)c(cc4)F)=O	78
+Nc1c(I)cc(Cl)nc1	473
+c1(c(Cl)cc(c(N)c1)NC(CC(c2cc(-c3onc(c3)C)ncc2)=O)=O)N(C)CCOC	78
+O=C1Nc2c(NC1=O)c(C#N)c(s2)SC	7577
+CN(C)CCOc1ccc2sc(C(Nc3ccccc3N)=O)cc2c1	78
+C1CCC(C1)n2c3ncnc(Cl)c3c(-c4cc(OC)c(cc4)N)c2	78
+c1(-c2cnccc2)nc(Oc3cccc(C#N)c3)c(N)cn1	4208
+CC(C)(C)OC(=O)Nc1cc(N(C)C)c(cc1[N+]([O-])=O)C	202
+CC(C)(C)OC(Nc1cc(NC(C)C)c(Cl)cc1N)=O	0
+FC(F)(F)c1ccc(NC(OC(C)(C)C)=O)c(c1)N	0
+C[Si](C)(C)C#Cc1cc(c(cc1)NC(OC(C)(C)C)=O)[N+]([O-])=O	311
+CC(C)(C)OC(Nc1c(cc(-c2cc(F)ccc2F)cc1)[N+](=O)[O-])=O	134
+CC(C)(C)OC(Nc1ccc(-c2ccc(cc2)OC)cc1[N+](=O)[O-])=O	134
+CC(C)(C)OC(=O)Nc1ccc(-c2c(cccc2)F)cc1[N+](=O)[O-]	134
+CC(C)(C)OC(Nc1ccc(-c2cocc2)cc1[N+]([O-])=O)=O	7578
+CC(C)(C)OC(Nc1ccc(-c2occc2)cc1[N+]([O-])=O)=O	4209
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+](=O)[O-])-c2ccccc2Cl	7579
+CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccccc2)cc1[N+](=O)[O-]	129
+CC(C)(C)OC(Nc1c(c(OC)cc(OC)c1C)Cl)=O	662
+COc1c(Cl)c(N)c(c(OC)c1)C	78
+CC(C)(C)OC(=O)Nc1c(cc(cc1)-c2c(ccc(F)c2)F)N	0
+CC(C)(C)OC(=O)Nc1c(NC(=O)CC(=O)c2cccc(C#N)c2)cc(-c3occc3)cc1	1397
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+](=O)[O-])C#Cc2ccccc2F	129
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(cc1)C#Cc2c(cc(F)cc2)F)=O	129
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+](=O)[O-])C#Cc2ccc(cc2)F	129
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(c(c1)NC(C)C)Cl)=O	205
+CC(C)(C)OC(=O)Nc1c(cc(c(c1)N(C)C)Cl)[N+](=O)[O-]	202
+CC(C)(C)OC(Nc1cc(N2CCSCC2)c(cc1N)C(F)(F)F)=O	0
+CC(C)(C)OC(Nc1ccc(-c2cccnc2)cc1N)=O	0
+CC(C)(C)OC(Nc1c(cc(Oc2ccnc(NC)c2N)cc1)F)=O	13
+CC(C)(C)OC(Nc1cc(Cl)ccc1C=CC(O)=O)=O	127
+Nc1c(C)ccc(O)c1C	78
+CC(C)(C)OC(Nc1c(F)ccc(Oc2ccc3nc(sc3n2)N)c1)=O	2153
+CC(C)(C)OC(=O)Nc1c(ccc(N)c1)F	0
+CC(C)(C)OC(Nc1c(C)ccc(Oc2cnc([N+]([O-])=O)cc2)c1)=O	706
+CC(C)(C)OC(Nc1c(ccc(Oc2ncc(N)cc2)c1)F)=O	13
+CC(C)(C)OC(Nc1c(ccc(c1)Oc2cn3nc(nc3cc2)N)C)=O	982
+C1CC1C(=O)Nc2nc3n(cc(Oc4cc(c(C)cc4)N)cc3)n2	78
+CC(C)(C)OC(Nc1c(NC(c2cc3cc(OCCN(C)C)ccc3s2)=O)cccc1)=O	72
+CC(C)(C)OC(Nc1c(cccc1)NC(=O)c2cc3c(ccc(c3)O)s2)=O	818
+c1(c(N)c(ccc1)NC)F	78
+CC(C)(C)OC(Nc1c(nccc1C(=O)O)OC)=O	4210
+O(c1c(N)c(ccn1)C(=O)O)C	473
+c1ccccc1-c2c(ccs2)NC	352
+C(OCOc1cc2c(cc1)cccc2NC)COC	352
+Nc1c2c(nc(cc2)-c3[nH]ncc3)ccc1Cl	78
+CC(C)(C)OC(Nc1c2c(nn(-c3ccc(cc3)N)c2ncn1)I)=O	0
+Nc1c2c(ccc(OCC)c2)ccc1	78
+CC(C)(C)OC(=O)Nc1cc(C)cc(-c2ccncc2N=C=S)c1	7580
+FC1(F)CC(C1)c2onc(-c3cc(N)c(C)cc3)n2	78
+c1(nc(cc(Br)c1)N)C(=O)OC	451
+CC(C)(C)OC(=O)Nc1onc(C(C)(C)CO)c1	168
+c1c(C)c(c(cc1N)C)Cc2ccc(c(Cc3ccc(cc3)F)c2)OC	78
+CC(C)(C)OC(Nc1cc(c(CN)c(OC)n1)C)=O	388
+CC(C)(C)OC(=O)Nc1cc(C)c(c(c1)C)C(c2ccc(OC)c(c2)Cc3ccc(cc3)F)O	257
+FC(F)(F)c1c(cc(c(c1)N)N)C	78
+C1CN(CCN1Cc2cc(N)cc(c2)C)C(C)=O	78
+c1cc(ccc1)-c2c(C3=NN(C(C=C3)=O)C(C)C)cc(cn2)N	473
+Nc1cc(ccc1[N+]([O-])=O)C=2CCCC=2	78
+CC(C)(C)OC(Nc1cc(C=O)ncn1)=O	7581
+CC(C)(C)OC(=O)Nc1cc(ncn1)CO	453
+c1cc([N+](=O)[O-])c2ccccc2c1OCCc3cc(NC(C)=O)ncc3	4107
+CC(C)(C)OC(Nc1cc(Cl)c(c(c1)Cl)OCC)=O	116
+c1(cc(cc(Cl)c1OCC)N)Cl	78
+CC(C)(C)OC(Nc1cc(ccc1C=CC(N2CCN(CC2)Cc3ccc(cc3)F)=O)Cl)=O	404
+CC(C)(C)OC(Nc1n2ncc(c2nc(c1)Cl)C=O)=O	2022
+CC(C)(C)OC(=O)Nc1ccnc(Cl)c1C=O	1031
+Fc1cc(cc(F)c1CSc2n(c(cn2)C(C)(C)c3ccc(Cl)c(OC)c3)-c4ccc(cc4)F)N	78
+c1cc(ccc1F)-c2cccc(c2)S(=O)(=O)N(C)c3cc(ccc3)N	78
+CC(C)(C)OC(=O)Nc1ccc(c(Nc2nc(ncc2Cl)Cl)c1)F	73
+CC(C)(C)OC(Nc1c(F)cc(c(Nc2ncc([N+]([O-])=O)c(SC#N)n2)c1)Cl)=O	55
+N1(C(C=C(C)C1=O)=O)c2cc(N3C(C(OC)=CC3=O)=O)cc(N)c2	78
+c1(cccc(N)c1)N2C(=O)NCC2	78
+c1c(N)cc(cc1)N2CCc3n4nccc4ncc3C2	78
+CC(C)(C)OC(Nc1cc(N(S(=O)(=O)c2cc(ccc2)-c3ccc(cc3)F)C)ccc1)=O	416
+c1(C)ccc(N)cc1Nc2n(ncn2)-c3cc(NC)ncn3	78
+CC(C)(C)OC(Nc1c(c(OC)cc(OC)c1)C)=O	1297
+CC(C)(C)OC(Nc1c(ccc(c1)Oc2ccc3nc(NC(=O)OCC)nn3c2)C)=O	977
+CC(C)(C)OC(Nc1cc(C)c(cc1N)C(F)(F)F)=O	0
+CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1	14
+CC(C)(C)OC(=O)Nc1cc(N)c(CCOC(C)=O)c2ccccc12	0
+C(C)N(CC)c1c(C#N)cc2NC(CC(=Nc2c1)c3cc(ccc3)-c4onc(C)c4)=O	690
+CC(C)(C)OC(=O)Nc1c(cc(c(N2CCCC2)c1)Cl)N	0
+c1ccccc1COc2cc(cc(c2)OCCCCCCCCCCCCCCCCCC)N	78
+c1cc(ccc1)-c2oc(C3=CCCCC3Cc4cccc(c4)N)nc2-c5ccccc5	78
+CC(C)(C)OC(Nc1cccc(N2c3c(c(N)ncn3)N(c4ccc(cc4)Oc5ccccc5)C2=O)c1)=O	7582
+CC(C)(C)OC(Nc1cc(ccc1C)C(N)=NO)=O	253
+CC(C)(C)OC(=O)Nc1cc(cnc1Cl)Nc2c(-c3nc(nc(N)n3)C)cc(OC)cn2	2097
+CC(C)(C)OC(Nc1ccc2c(CC3(CC3)C2CC(O)=O)c1)=O	2154
+C1CC12Cc3cc(N)ccc3C2CC(=O)OC	78
+C1COCCN1C=2OC(c3c4Sc5ccc(N)cc5Sc4ccc3)=CC(C=2)=O	78
+CC(C)(C)OC(Nc1ccc2[nH]cc(CC(=O)OC)c2c1)=O	2155
+CN(C)c1nc2n(n1)ccc(c2)N	78
+CC(C)(C)OC(=O)Nc1c(cc(cc1)-c2ccc(cc2)OC)N	0
+c1cnc(SCOC)n1-c2cccc(C(=O)CC(=O)Nc3c(N)ccc(c3)-c4ccccc4F)c2	78
+n1n(cnn1)-c2cccc(C=3CC(Nc4c(ccc(c4)-c5ccccc5F)N=3)=O)c2	690
+c1c(c(ccc1)F)-c2cc(c(N)cc2)NC(=O)CC(c3sc(cc3)C#N)=O	78
+c12ccc(-c3cnccc3)cc1NC(CC(c4cccc(C#N)c4)=N2)=O	7583
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(OC)=O)CNC(=O)NC	67
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(Nc4ccccc4)=O)CNC(C)=O	67
+CC(C)(C)OC(Nc1ccc(cc1N)-c2cocc2)=O	0
+CC(C)(C)OC(Nc1c(cc(-c2ccco2)cc1)N)=O	0
+CC(C)(C)OC(=O)Nc1c(C(OCc2ccccc2)=O)c(c(Br)cc1)C	470
+CC(C)(C)OC(Nc1ccc(C(OCC)=O)cc1N)=O	0
+CC(C)(C)OC(Nc1ccc(cc1C)C(c2ccc(cc2)Cl)=C)=O	2855
+C1CC1Nc2c3scc(C(Nc4c(C)ccc(N)c4)=O)c3ncn2	78
+c1cc(ccc1C(=O)OCC)-c2c(ccc(c2)N)C	78
+CN(C)CCOc1c(C)ccc(N)c1	78
+CC(C)(C)OC(Nc1ccc(CCI)nc1)=O	343
+Nc1ccc(c(C2(C)NC(=N)c3n(c(c(Cl)n3)C#N)C2)c1)F	7584
+c1c(cccc1C(=O)CC(=O)Nc2c(N)ccc(I)c2)C#N	78
+CC(C)(C)OC(Nc1ccc(c(C#Cc2ccccc2)n1)N)=O	943
+CC(C)(C)OC(Nc1ccc(cc1N)N2CCCC2)=O	0
+c1ccccc1S(=O)(=O)Nc2c(C#Cc3ccccc3)nc(N)cc2	451
+CC(C)(C)OC(Nc1ccc(NS(=O)(=O)c2ccccc2)c(C#Cc3ccccc3)n1)=O	322
+c1cc(ccc1-c2ccc3c([nH]nc3c2F)N)N	78
+c1cc(ccc1C(Nc2cc(Nc3nc(c(Cl)cc3)-c4c5ccccc5n(S(=O)(=O)c6ccccc6)c4)ccc2)=O)N	78
+c1cc(ccc1N)C(N2CC(CC2)Nc3ncc(Cl)c(-c4c5c(n(S(=O)(=O)c6ccccc6)c4)cccc5)n3)=O	78
+CC(C)(C)OC(Nc1ccc(cc1)CCOc2ccc(cc2)CC(OCC)C(OCC)=O)=O	126
+CC(C)(C)OC(Nc1ccc(cc1)CCOc2ccc(cc2)CC(OCC)C(O)=O)=O	3
+c1cc(ccc1N)Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC	78
+c1cc(ccc1N)Oc2cc(-n3cncn3)ncn2	78
+c1cc(ccc1Cl)C(=O)c2cc(c(N)cc2)Br	78
+CC(C)(C)OC(Nc1ccc(cc1C)C2(c3ccc(cc3)Cl)ON=C(C)C2)=O	7585
+c1cc(ccc1Cl)C2(c3ccc(c(c3)C)N)ON=C(C)C2	78
+CC(C)(C)OC(=O)Nc1c(F)cc(cc1)-c2ccc3c(n[nH]c3c2F)N	575
+CC(C)(C)OC(Nc1ccc(cc1F)-c2ccc(C#N)c(c2F)F)=O	368
+CC(C)(C)OC(=O)Nc1ccc(-c2sccc2)cc1NC(N(C)C)=O	2083
+C1CC2CCN1CC2Oc3nnc(cc3)-c4ccc(c(c4)[N+](=O)[O-])N	78
+CC(C)(C)OC(Nc1ccc(cc1N)-c2cccs2)=O	0
+CC(C)(C)OC(Nc1ccc(cc1[N+](=O)[O-])-c2sccc2)=O	809
+c1[nH]c2c(c1CC(OC)=O)cc(N)cc2	78
+CC(C)(C)OC(Nc1cc2c(C(CC(=O)OC)C3(CC3)C2)cc1)=O	325
+C1CN(CCN1C)c2ccc(Nc3nc4c(C=C(CC)C(=O)N4c5cc(N)ccc5)cn3)c(OC)c2	78
+CC(C)(C)OC(Nc1cccc(N2c3c(cnc(S(C)=O)n3)C=C(CC)C2=O)c1)=O	172
+c1cc(ccc1Oc2ccccc2)N3c4c(N)ncnc4N(C3=O)c5cccc(c5)N	78
+CC(C)(C)OC(=O)Nc1cc(N(C2CC2)c3ncc([N+]([O-])=O)c(SC#N)n3)ccc1	4211
+CC(C)(C)OC(Nc1cccc(Oc2cc(F)cc(Nc3c(F)cc(cc3)I)c2C(N)=O)c1)=O	216
+c1c(I)cc(c(Nc2cc(cc(Oc3cccc(N)c3)c2C(=O)N)F)c1)F	78
+CC(C)(C)OC(=O)Nc1cc(ccc1)C=Cc2cc(OC)cc([N+](=O)[O-])c2	722
+CC(C)(C)OC(=O)Nc1nc(CCN)ccc1	18
+CC(C)(C)OC(=O)Nc1nc(CCOS(=O)(=O)c2ccc(cc2)C)ccc1	36
+Nc1cccc2CCCN(C)c12	78
+CC(C)(C)OC(=O)Nc1c(C(O)=O)ccnc1	4210
+C1CCN(C1)c2nc3cc(ccn3n2)N	78
+CC(C)(C)OC(Nc1c(C=Cc2c3c(n[nH]2)ccc(C=O)c3)cncc1)=O	146
+Nc1ccsc1C(Nc2cccc(OC)c2)=O	4029
+c1c(nn2cc(nc2c1)N)I	2856
+CC(C)(C)OC(=O)Nc1nc(C)c(CN)nc1	4212
+Cc1nc(cnc1CNC(c2nnn(Cc3ccc4c(ccc(n4)C)c3)c2)=O)N	2856
+CC(C)(C)OC(Nc1conc1-c2ccc(cc2)OCc3cccnc3)=O	20
+c1cc(ccc1-c2nocc2N)OCc3cccnc3	2809
+CC(C)(C)OC(Nc1cc(sc1)C#Cc2c(cccc2)NC(N)=O)=O	3220
+CC(C)(C)OC(Nc1scc(C(O)=O)n1)=O	6
+CC(C)(C)OC(Nc1scc(CO)n1)=O	1171
+CC(C)(C)OC(Nc1nc(CCO)cs1)=O	44
+CC(C)(C)OC(Nc1nc(cs1)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(Nc1nc(CCc2cc(Nc3c(F)cnc(Cl)n3)ccc2)ccc1)=O	73
+c1(nc(N)sc1)CN(C)C(c2nccnc2C)=O	1398
+C1N(c2nc(ccc2)N)CCCC1NC(C=C)=O	451
+c1ccccc1C#Cc2nc(N)ccc2NC(C3CCOCC3)=O	451
+c1ccccc1-c2cc(cc(N)n2)Cl	451
+CC(C)(C)OC(Nc1nc(CCc2cccc(N)c2)ccc1)=O	801
+CC(C)(C)OC(=O)Nc1scc(n1)CCOc2ccc(cc2)F	885
+C1CN(CCC1c2ccccc2)Cc3cnc(N)s3	1398
+CC(C)(C)OC(=O)Nc1ccc(cn1)-c2ccccc2	89
+c1(C=2NC(=O)ON=2)cnc(cc1)N	451
+O=S(=O)(C)c1cccc(-c2cc3c(c(N4CCOCC4)nc(n3)-c5cnc(nc5)N)cc2F)c1	7586
+n1cc(ncc1N)COC(C)=O	2856
+CC(C)(C)OC(=O)Nc1ncc(CO)s1	1503
+c1cc(ccc1C(Nc2ncc3c(Br)cn(c3c2)CC)=O)C(=O)OC	7587
+Nc1nccc(Cl)c1C=O	451
+CC(C)(C)OC(=O)Nc1cc(ccn1)CCc2cccc(c2)N	1702
+CC(C)(C)OC(Nc1nccc(Oc2cnc(cc2)N)c1)=O	161
+CC(C)(C)OC(=O)Nc1cc(no1)-c2cc(ccc2)-c3ccc(cc3)C(=O)N4CCN(CC4)C(OCc5ccccc5)=O	99
+CC(C)(C)OC(=O)Nc1c(C#N)c(c(C(=O)O)s1)C	1
+c1cc(ccc1)C(=O)c2ccc(s2)N	2813
+c1cc(ccc1)-c2sc(c(C(NC)=O)n2)N	2808
+CC(C)(C)OC(=O)Nc1c(nc(-c2c(F)cc(cc2F)C3CCOCC3)s1)C(OCC)=O	4213
+CC(C)(C)OC(Nc1nc(C(N(C)C)=O)cs1)=O	837
+CC(C)(C)OC(N1CC(CC1Cc2c3ccccc3[nH]c2C)O)=O	7588
+CC(C)(C)OC(=O)c1cc(Cl)nc(c1)Cl	1933
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(O)=O	1885
+CC(C)(C)OC(C1C(CCC1)NS(=O)(=O)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4)=O	1885
+CC(C)(C)OC(=O)c1cc(Cl)nc(c1)C	1933
+c1cc(ccc1-c2nn3c(SC)nccc3c2C(C=CN(C)C)=O)F	7589
+CC(C)(C)OC(c1ccc(cc1)SCCCCCCCCCC(OC)=O)=O	1933
+CC(C)(C)OC(Oc1cc(c(cc1)OC(CCI)c2ccccc2)C)=O	363
+CC(C)(C)c1ccc(cc1OCc2ccccc2)O	7590
+CC(C)(C)OC(Oc1cc(C)c(cc1)OC(c2ccccc2)CCCl)=O	4214
+CC(C)(C)OC(Oc1ccccc1C(O)=O)=O	500
+CC(C)(C)OC(c1c(c(c(CC(O)=O)[nH]1)C(OCC)=O)C)=O	3
+CC(C)(C)OC(c1c(-c2ccc(cc2)Cl)c3sc(nc3cc1C)-c4ccnc(c4)N5CCN(CC5)CC)C(OCC)=O	183
+CC(C)(C)OC(c1c(cc2nc(sc2c1-c3ccc(cc3)Cl)-c4ccnc(c4)N5CCN(CC5)CC)C)C(O)=O	3
+CC(C)(C)OC(c1c(cc2c(c1-c3ccc(cc3)Cl)sc(-c4cc(c(cc4)NC)[N+](=O)[O-])n2)C)C(=O)OCC	7591
+CC(C)(C)OC(c1c(nc2cc(-c3cc(Cl)ccc3)nn2c1-c4c(C)c5CCCOc5c(F)c4)C)C(OC)=O	4153
+CC(C)(C)OC(c1c(cc(COc2cc(c(cc2)Cl)Cl)c(Cl)c1)F)=O	20
+c1c(I)cc(c(Nc2c(ccc3sncc23)C(=O)O)c1)F	153
+c1cc(ccc1Br)C2(CCCC2)Cc3nc(C(=O)O)c(c(O)n3)OCc4ccccc4	153
+Clc1cccc(Cl)c1Cc2nc(c(c(n2)O)OCc3ccccc3)C(=O)O	153
+CC(C)(C)OC(C(=O)O)c1c(ccc2ccccc12)OCc3ccccc3	3
+CC(C)(C)OC(=O)c1c(N)cc(C#N)cn1	13
+C(C)OC(c1c(CC(=O)O)[nH]cc1C)=O	7592
+CC(C)(C)OC(c1oc2c(c1C)c(c(cc2)Br)OC)=O	65
+CC(C)(C)OC(c1c(c2c(nc(c(O)c2C)C)s1)N)=O	2156
+CC(C)(C)OC(c1c(F)cc(c(Cl)c1)CO)=O	35
+O(Cc1c(cc(C(=O)O)c(F)c1)Cl)c2cc(c(Cl)cc2)Cl	153
+FC(F)(F)c1c(ccc(Oc2c(Cl)cc(C(=O)O)c(F)c2)c1)Cl	153
+CC(C)(C)OC(c1c(cc2nc(sc2c1-c3ccc(cc3)Cl)-c4ccc(NC)c(c4)N)C)C(=O)OCC	0
+CC(C)(C)OC(c1ccccc1-c2cc(c(cc2)Cn3c(C=O)c(nc3OCCC)Br)F)=O	371
+C1CCCCN1c2cc3c(c(c(nc3cc2)C)C(=O)O)-c4ccc(cc4)F	153
+CC(C)(C)OC(=O)c1cc(F)sc1-c2cc(c(cc2)-c3ccc(cc3)C4(CC4)C(=O)OCC)OC	4215
+CC(C)(C)OC(=O)c1cc(F)sc1-c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(=O)OCC	4215
+C1(c2c(cccc2)-n3c(C4CCN14)c(nc3)C(O)=O)=O	153
+c1(C)nc(cc(C(=O)O)c1)CC	153
+CC(C)(C)OC(c1cc(N(C)C)nc(CC)c1)=O	2651
+CC(C)(C)OC(c1cc(Cl)c(cc1F)Oc2cnc(c(Cl)c2)OCC(F)(F)C(F)F)=O	551
+CC(C)(C)OC(c1c(cc(c(c1)Cl)Oc2ccc(c(C(F)(F)F)c2)Cl)F)=O	46
+FC(F)(COc1c(Cl)cc(Oc2c(Cl)cc(C(=O)O)c(c2)F)cn1)C(F)F	153
+CC(C)(C)OC(c1cc2nncn2c(Cl)c1)=O	7593
+c1c(F)c(c(cc1C(O)=O)F)CSc2n(c(cn2)C(C)(C)c3ccc(Cl)c(OC)c3)-c4ccc(cc4)F	153
+C1CC1c2c(cc(cn2)Oc3cc(c(C(O)=O)cc3Cl)F)OC(F)(F)C	153
+C[Si](C)(C)C#Cc1cc(C(=O)OC(C)(C)C)ccc1	311
+CC(C)(C)OC(c1sc2NC(=O)C(=Cc3ccc[nH]3)c2c1)=O	7594
+C(C)OC(=O)n1nc(NC(c2c(cccc2)[N+]([O-])=O)=O)c3cc(sc13)C(=O)O	153
+CC(C)(C)OC(=O)c1ccc(-c2c(F)cccc2)nc1	119
+CC(C)(C)OC(c1ccc(c([N+]([O-])=O)c1)NC2CCN(CC2)c3nc(c4c(cc(c(OC)c4)OC)n3)N)=O	549
+C1CC(CCN1c2nc(c3c(cc(c(OC)c3)OC)n2)N)Nc4ccc(cc4[N+](=O)[O-])C(=O)O	153
+CC(C)(C)OC(=O)c1cc(C)c(cc1)-c2ccc(cc2)C#N	11
+CC(C)(C)OC(c1ccc(cc1)Oc2c(cc3c(OCCC3C(OCC)=O)c2)Cl)=O	304
+CC(C)(C)OC(=O)c1ccc(cc1)CCCCO	213
+c1cc(ccc1CCCCOCCCCBr)C(=O)O	153
+CC(C)(C)OC(=O)c1ccc(cc1)NCCN	60
+CC(C)(C)OC(c1ccc(cc1)N(c2ccc(C(=O)O)c(OC)c2)Cc3scnc3)=O	1
+c1cc(ccc1C(O)=O)N(c2cc(OC)c(cc2)C(N)=O)Cc3scnc3	153
+CC(C)(C)OC(c1ccc(cc1)N(c2cc(OC)c(cc2)C(N)=O)Cc3scnc3)=O	169
+CC1(C)C(C)(C)OB(O1)c2cccc(C(Nc3ccc(cc3)C(=O)OC(C)(C)C)=O)c2	67
+CC(C)(C)OC(c1ccc(cc1)NC(=O)C(C)N2C=C(C#N)C(=CC2=O)Br)=O	33
+CC(C)(C)OC(c1ccc(cc1)NC(=O)C(C)N2C(=O)C=C(c3c(ccc(Cl)c3)C#N)C(=C2)OCC)=O	33
+c1cc(ccc1NC(=O)C(C)N2C(=O)C=C(c3c(ccc(Cl)c3)C#N)C(=C2)OCC)C(O)=O	153
+CC(C)(C)OC(c1ccc(cc1)NC(C(C)N2C(C=C(c3cc(Cl)ccc3C4CC4)C(C#N)=C2)=O)=O)=O	7595
+FC(F)(F)Oc1c(cc(cc1)Cl)C2=CC(=O)N(C(C)C(=O)Nc3ccc(cc3)C(=O)OC(C)(C)C)C=C2C#N	7596
+CC(C)(C)OC(c1ccc(cc1)Oc2c(cc3C(CCOc3c2)C(=O)OC)C#N)=O	46
+c1cc(ccc1Oc2c(cc3C(CCOc3c2)C(=O)OC)C#N)C(=O)O	153
+c1cc(ccc1C(=O)O)Oc2c(cc3c(OCCC3C(OCC)=O)c2)Cl	153
+CC(C)(C)OC(c1ccc(cc1)SCCCCCCCCCC(O)=O)=O	4
+CC(C)(C)OC(=O)c1c([N+](=O)[O-])cc(C(O)=O)cc1	1
+CC(C)(C)OC(c1ccc(C(=O)O)cn1)=O	1
+C1CN(Cc2cncc(C(=O)OC)c12)c3cccc(C(=O)O)c3	153
+CC(C)(C)OC(c1ccccc1-c2ccc(Cn3c(nc(Br)c3C=NO)OCCC)c(F)c2)=O	2513
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(nc(C(CCC)O)c3C#N)CCC)=O	3458
+c1cc(ccc1-c2c(cccc2)C(=O)O)Cn3c(C)c(C)c4cc(ccc34)C(NC(C)c5ccccc5OC)=O	7597
+c1cc(ccc1Cn2c(c(C(O)CCC)nc2CCC)C(=O)N)-c3c(cccc3)C(=O)O	153
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(C)c(c4cc(C(=O)O)ccc34)C)=O	6
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(c(C(O)CCC)nc3CCC)C(=O)N)=O	2782
+CC(C)(C)OC(=O)c1c(CN2CN(C3(CCNCC3)C2=O)c4ccccc4)cccc1	62
+c1n(nnc1C(=O)O)CC(CCc2cc3c(nn2)[nH]c(-c4c(cccc4)F)c3)F	153
+CC(C)(C)OC(c1cnc(c(c1)Cl)NNC(=O)c2ccccc2)=O	898
+CC(C)(C)OC(c1cc(Cl)c2n(c(nn2)-c3ccccc3)c1)=O	7598
+CC(C)(C)OC(=O)c1nc(-c2ccc3N(CCN(c3c2)C(Nc4nc5c(cccc5)s4)=O)C)ccc1	2143
+CC(C)(C)OC(c1c([N+]([O-])=O)cc(C#N)cn1)=O	1684
+CC(C)(C)OC(c1nccc(c1)Oc2ccc(NC(Nc3ccc(c(C(F)(F)F)c3)Cl)=O)c(c2)F)=O	124
+FC(F)(F)c1c(ccc(NC(Nc2c(F)cc(Oc3ccnc(C(O)=O)c3)cc2)=O)c1)Cl	153
+CC(C)(C)OC(c1cn(CC(F)CCc2nnc3c(cc(-c4c(cccc4)F)[nH]3)c2)nn1)=O	587
+o1c2c(c(c1C(=O)O)C)c(OC)c(cc2)Br	153
+c1(C=C2c3cc(C(=O)O)sc3NC2=O)ccc[nH]1	153
+CC(C)(C)OC(c1cc2c(NC(=O)c3c([N+]([O-])=O)cccc3)nn(C(=O)OCC)c2s1)=O	330
+CC(C)(C)OC(=O)n1c(-c2c(Cl)nc3ccccc3c2)cc4c1ccc(c4)C(=O)C	155
+O=S(=O)(NC1CCCCC1)c2c(Cl)ccc(-c3[nH]c4ccccc4c3)c2	535
+O=S(=O)(c1cc(-c2cc3c(cccc3)[nH]2)ccc1Cl)Cc4cc(Cl)ccc4	535
+CC(C)(C)OC(=O)n1c(ccc1-c2ccc(cc2)NS(=O)(=O)CC)C#N	7599
+CC(C)(C)OC(=O)n1c(cc(n1)Nc2c3c(nc(C(F)(F)c4ccc(F)cn4)n2)cc(cc3)OC)C	349
+c1(C(C)C(=O)OCC)cc2c(cccc2)[nH]1	535
+CC(C)(C)OC(=O)n1c(-c2cc(Oc3ccc(cc3)C(=O)C)cc(OC(COC)C)c2)ccc1-c4sccn4	472
+CC(C)(C)OC(=O)n1c(ccc1-c2cc(OC(COC)C)cc(c2)Oc3ccc(cc3)S(=O)(=O)C)C(=O)OCC	7600
+CC(C)(C)OC(n1c(nc2ccc(C(O)C(F)(F)F)cc12)-c3c(C)cccc3C)=O	714
+CC(C)(C)OC(n1c2c(c(CN(C)CCN(C)C(=O)OC(C)(C)C)n1)c(ccc2)OCCCC3OC(C)(C)OC3)=O	262
+CC(C)(C)OC(=O)n1nc(c2ccc(cc12)OCCOCc3ccccc3)N	8
+CC(C)(C)OC(=O)n1c2cccc(C=CCO)c2cc1	4216
+CC(C)(C)OC(n1c2ccc(CN3C(c4ccccc4C3=O)=O)c(Cl)c2cc1)=O	1930
+CC(C)(C)OC(n1c2c(cc1)c(NC(C3CCN(CC3)Cc4ccccc4)=O)ccn2)=O	131
+CC(C)(C)OC(n1c(-c2c(Cl)nc3ccccc3c2)cc4c1ccc(C(C)O)c4)=O	449
+CC(C)(C)OC(n1c(-c2cc(c(Cl)cc2)S(=O)(=O)NC3CCCCC3)cc4ccccc14)=O	7601
+CC(C)(C)OC(=O)n1nc(CCCN)c2c1c(ccc2Nc3c(-c4ncccn4)oc5cnccc35)Cl	18
+CC(C)(C)OC(n1c2c(ccc(Nc3c(-c4ncccn4)oc5cnccc35)c2c(CCCN=[N+]=[N-])n1)Cl)=O	133
+CC(C)(C)OC(=O)n1c(C)cc2ccc(S(=O)(=O)C)cc12	593
+CC(C)(C)OC(=O)n1cc(c2ccc(cc12)-c3cc([N+]([O-])=O)cc([N+]([O-])=O)c3)CC(OCC)=O	492
+CC(C)(C)OC(n1c2c(cn1)ccc(c2)NC(=O)c3ccccc3O)=O	67
+c1c(c2c(cc1F)C=3c4c(C(N(C)C=3)=O)[nH]cc4CN2C(=O)OCC)F	2817
+CC(C)(C)OC(=O)n1nc(-c2ccccc2)c3cc(C)c(cc13)N	0
+CC(C)(C)OC(n1ccc2c1ccc(c2Cl)CN)=O	45
+CC(C)(C)OC(=O)n1c2c(c(n1)-c3ccccc3)cc(NS(=O)(=O)c4cc(F)ccc4)cc2	69
+CC(C)(C)OC(=O)n1c2c(cc(O)cc2)cc1C(=O)OCC	16
+C(C)OC(c1cc2cc(ccc2[nH]1)OCCSC)=O	535
+CC(C)(C)OC(n1c2c(cc1)c(C=CC(=O)OCC)ccc2)=O	530
+CC(C)(C)OC(=O)n1c2cccc(c2c(Cl)n1)N	0
+Cc1cc(cc(C)c1S(=O)(=O)N(C)C(Cc2c3c(cccc3)[nH]c2)C)C	535
+C1C(C(=O)OCC)CCCN1c2ccc(Cl)c(-c3nc4c([nH]3)cccc4)c2	4148
+CC(C)(C)OC(=O)n1c2cnc(-n3ncnc3)cc2c(c1)C=CC(OCC)=O	4217
+C1CCN(C1)Cc2nc(c3sc(-c4c(C)n[nH]c4)cc3n2)O	921
+CC(C)(C)OC(n1c2c3C(c4cc(cc(F)c4N(C(OCC)=O)Cc3c1)F)=CN(C)C2=O)=O	1199
+c1(cc(Oc2cc3c(cc2)C(N(CO3)C)=O)cc(OC(COC)C)c1)C(Nc4[nH]ncc4)=O	921
+CC(C)(C)OC(n1c2c(cc1)c(ccn2)NC(C3CCNCC3)=O)=O	62
+CC(C)(C)OC(=O)n1c2c(cccc2cc1)CSC	4218
+CC(C)(C)OC(=O)n1c2c(F)cc(N=C=S)c(C)c2nc1	1695
+CC(C)(C)OC(=O)n1c2c(nc1)c(C)c(N)cc2	0
+CC(C)(C)OC(=O)n1c2c(ccc(c2)Nc3c4nccn4cc(n3)Br)nc1	1638
+C1CN(CCC1)CCCC(=O)Nc2[nH]nc(c2)-c3cnc(OC)cc3	921
+CC(C)(C)OC(=O)n1nc(-c2ccccc2)c3ccc(Nc4ccccc4OC)cc13	230
+CC(C)(C)OC(n1cc(C(NO)=N)c(C)n1)=O	7602
+CC(C)(C)OC(n1c2c(ccc(Nc3c(-c4ncccn4)oc5cnccc35)c2c(CCCOS(=O)(=O)C)n1)Cl)=O	7
+CC(C)(C)OC(=O)n1c2ccc(OC(F)F)cc2c(n1)I	7603
+Cc1c(c([nH]n1)C)-c2cc(Cl)c(cc2)C#N	921
+O=C1N(C=C(c2cn[nH]c2)c3cc(OC)c(OC)cc13)CC	921
+c1(cccc(-c2c[nH]nc2)n1)C(=O)OC	921
+CC(C)(C)OC1CN(S(=O)(=O)c2ccc3c(cccc3)c2)C(CO)C1	118
+c1ccccc1COCC2CC(CN2S(=O)(=O)c3cc4c(cc3)cccc4)O	1041
+CC(C)(C)OC1CC(N(S(=O)(=O)c2cc3c(cc2)cccc3)C1)COCc4ccccc4	21
+CC(C)(C)OC1CC(N(S(=O)(=O)c2cc3c(cc2)cccc3)C1)COCc4ccccc4	149
+CC(C)(C)OCC(COC)(COC)C1CCCCC1	76
+CC(C)(C)OCC1=C(C(C=2C(=O)OC(CC=2N1)c3c(cc(cc3C)C)C)c4cccc(c4)CC(=O)N)C(=O)OCC	83
+CC(C)(C)OCCCON1C(c2c(C1=O)cccc2)=O	1395
+CC(C)(C)OCCCON	670
+CC(C)(C)OCCOCCOCCOCCN	45
+CC(C)(C)OCCOCCOCCOCCOS(=O)(=O)c1ccc(cc1)C	36
+CC(C)(C)OCCOCCOCCOCCN1C(c2c(C1=O)cccc2)=O	2140
+CC(C)(C)OCCONC(=O)C=1C(=C(C(=O)N2CCCC=12)F)Nc3c(F)cc(I)cc3	7604
+c1c(I)cc(c(c1)NC=2C(C(NOCCO)=O)=C3CCCN3C(=O)C=2F)F	1041
+c1c2c(ccc1)nc(-c3cc(cnc3N)-c4cnn(CCO)c4)o2	1041
+CC(C)(C)OCc1c(c(on1)C(C)C)COC	1043
+CC(C)c1onc(CO)c1C(OC)=O	1041
+CC(C)c1onc(CO)c1COc2ccc3c(ccn3Cc4cccc(C(=O)OC)c4)c2	1041
+CC(C)(C)OCc1noc(c1CO)C(C)C	88
+CCOC(c1c(n[nH]c1)CO)=O	1041
+CC(C)(C)OCc1c(c(C(C)C)on1)COc2ccc3c(ccn3Cc4cccc(C(=O)OC)c4)c2	1411
+CC(C)(C)OCc1noc(c1CCl)C(C)C	1703
+CC1(C)N(CCCOCCOCCOC)C(C(C)(C)N1Cl)=O	7605
+FC(F)(F)c1ccc(cc1)CC(=O)C(OCC)OC(C)(C)C	7606
+c1c2ccc(C#N)cc2c(Cl)c(O)c1	7607
+CC(C)(C)ONC(=O)C1(C)C(CCOC1)NS(=O)(=O)c2ccc(cc2)OCc3ccccc3	7608
+CC(C)(C)ON=C1c2cc(ccc2OC(=C1)c3ncn4c(c3)ccc4)OCCCl	72
+CC(C)(C)ON=C1C=C(c2ncn3c(c2)ccc3)Oc4ccc(C(O)=O)cc14	1
+CC(C)(C)ON=C1C=C(c2ncn3c(c2)ccc3)Oc4ccc(C(OC)=O)cc14	833
+FC(F)(F)c1cc2[nH]ncc2c(C(OC)=O)c1	3210
+O(c1cccnc1OCC(OC)=O)C(C)=O	4219
+c1(c(Cl)ncc(OC(=O)C)c1)C	4219
+CC(C)(C)ONC(=O)C1(C)C(CCOC1)NS(=O)(=O)c2ccc(cc2)O	16
+c1cc(ccc1S(=O)(=O)NC2CCOCC2(C)C(=O)NO)OCc3c4c(nc(c3)C)cccc4	4220
+C1CCC(C1)(Sc2ccc(cc2)Oc3ccccc3)CC(=O)NO	4220
+CC(C)(C)[Si](C)(C)OCc1cccc(c1COP(OCC=C)(OCC=C)=O)C	7609
+c1cc(ccc1OC)COC(=O)c2c(COP(OCC=C)(OCC=C)=O)cc(F)cc2	7610
+Fc1c(F)cn(c1)-c2cc(c(cc2)[N+]([O-])=O)O	7611
+CC(C)(C)Oc1ccc(C(O)CNC2CCCC2OCc3ccccc3)c4sc(nc14)OC(C)C	284
+CC(C)(C)Oc1cccc(Cl)c1C=O	1937
+CC(C)(C)Oc1c(C=O)cccc1	39
+C1CC(CCN1CCc2nc(O)cnc2)COc3c(cccc3)F	7612
+CC(C)(C)Oc1ncc(cc1)C(=O)O	1
+CC(C)(C)Oc1ccc(CO)cn1	382
+CC(C)(C)Oc1ncc(C(=O)OC)cc1	272
+CC(C)(C)Sc1c(C=O)cccc1	411
+CC(C)(C)Sc1ccc(Cc2c(C)[nH]c3c2cc(C(=O)OC)cc3)c(c1)Cl	1524
+CC(C)(C)Sc1ccc(cc1)[N+]([O-])=O	411
+CC(C)(C)Sc1n2c(c(ncc2)N)c(Br)n1	7613
+CC(C)(C)S(N=CCC(C(OCC)=O)C)=O	7614
+CC(C)(C)S(=O)N=C(c1c(C#N)c(cc(Cl)c1)F)c2cc(OC)ccc2	4221
+CC(C)(C)S(N=C(c1cccc(c1C#N)F)c2ccc(F)c(Br)c2)=O	4221
+FC(F)(F)c1cc(ccn1)C2(NC(c3c(cc(Cl)cc23)F)=N)c4cc(ccc4)OC	7615
+C1CC2(CCC1OC)Cc3ccc(cc3C2=N)OCCCF	2857
+C1CC2(CCC1OC)Cc3cc(c(Br)cc3C2=N)F	2857
+C1COCCC1C(N)C	499
+FC(F)(F)c1ncc(cc1)C(N)C	499
+CCOC(=O)C(C)CC(c1c(cccc1OCC)F)N	499
+c1(cccc(OC)c1C(CC(C(OCC)=O)C)N)OC	499
+c1cc(ccc1C(C(c2cccc(Cl)c2)CC=C)(C)N)Cl	499
+FC(F)(CO)C1(C2(CC2)COc3ccc(cc13)Br)N	499
+CC(C)(C)S(=O)NC1(C2(CC2)COc3c1cc(Br)cc3)C(F)(F)CO	44
+FC(F)(F)c1cc(C2(c3cccnc3C(=N2)N)c4cc(OCCCF)ccc4)ccc1OC	7616
+c1cc(ccn1)C2(c3cccc(F)c3C(N2)=N)c4ccc(c(Br)c4)F	7617
+c1ncncc1C2(c3cc(c(cc3)F)Br)NC(=N)c4c(F)cccc24	7618
+C1CC12CCc3c(cc(cc3)Br)C2=N	2857
+CC(C)(C)S(=O)NC(c1c(OC)cccc1OC)CC(C(=O)OCC)C	4222
+CC(C)(C)S(NC(CCCC(OC)=O)c1c(OC)cccc1OC)=O	4222
+c1(cc(Br)c(F)cc1F)C(C)(CCO)N	499
+c1cc(ccc1)-c2c(C(N)CC(C)C(OCC)=O)cccc2	499
+O(CC)C(C(C)CC(c1c(cccc1F)OC)N)=O	499
+CC(C)(C)S(NC(c1cc(ncc1)C(N)=O)CC)=O	1200
+n1cc(cc(C(CCC)N)c1)Br	499
+COc1cccc(OC)c1C(CCCC(OC)=O)N	499
+FC(F)(F)C(O)CC(CF)(c1c(ccc(Br)n1)F)N	499
+CCC(c1ccnc(c1)C(=O)N)N	499
+CC(C)(C)S(NC(CC)c1ccnc(c1)C#N)=O	1704
+c1cc(ccc1-c2cc(C(N)C)no2)Cl	499
+CC(C)(C)Sc1c(CC(=O)OCC)[nH]c2ccc(cc12)OC	7619
+CC(C)(C)Sc1c(CC(C)(C)C(=O)OCC)n(Cc2ccc(cc2)Br)c3c1cc(OC)cc3	7620
+CC(C)(C)Sc1ccccc1C=C	443
+FC(F)(F)c1cnc(-c2ccc(cc2)CC(C(=O)OCC)c3c(c4cc(ccc4[nH]3)OC)SC(C)(C)C)cc1	7621
+CC(C)(C)Sc1c2c(n(Cc3ccc(cc3)Br)c1CC(C)(C)C(=O)OCC)ccc(c2)O	5
+CC(C)(C)Sc1ccc(Cc2c([nH]c3ccc(cc23)C(=O)O)C)c(c1)Cl	1
+CC(C)(C)Sc1ccc(c(c1)Cl)Cc2c3c(ccc(c3)C(NS(=O)(=O)CCCCC)=O)[nH]c2C	258
+CC1(C)OB(OC1(C)C)c2ccc(cc2)SC(C)(C)C	585
+CC(C)(C)Sc1ccc(cc1)NCCC(=O)OCC	7622
+CC(C)(C)Sc1ccc(cc1)N2CCC(O)=C(C2=O)C#N	4223
+CC(C)(C)Sc1ccc(cc1)N(CCC(OCC)=O)C(=O)CC#N	429
+CC(C)(C)Sc1ccc(cc1)N	0
+CC(C)(C)NC(=O)C(CCC=C)(C1CCC(CC1)C2(OCCO2)c3ccc(cc3)Cl)NC(C)=O	2433
+CC(C)(C)[SiH2]OC(C)(C)C1CCC(CC1)COS(=O)(=O)C	7
+CC(C)(C)[SiH2]OC(C)(C)C1CCC(CC1)CC#N	300
+CC(C)(C)[SiH2]OC(C)(C)C1N(c2cc(cnc2)-c3ccc4c(CCC(=O)N4C)c3)CCC1	156
+CC(C)(c1c(ccc(CNC(=O)CC)c1)Cl)O	1412
+CC(C)(C)[SiH2]OC(C)(C)c1cc(C2(OCCO2)C)ncc1	7623
+C1COC(O1)(C)c2cc(C(C)(C)O)ccn2	1412
+CC(C)(C)[SiH2]OC(C)(C)c1cc(ccc1Cl)CN	817
+CC(C)(C)[SiH2]OC(C)(C)c1cc(ccc1Cl)C=NO	135
+CC(C)(C)[SiH2]OC(C)(C)c1c(Cl)ccc(CNC(=O)CC)c1	68
+CC(C)(C)[SiH2]OC(C)(C)c1cc(nc(Nc2ncc(C#N)s2)c1)Cl	1178
+CC(C)(C)[SiH2]OCc1cc(Nc2ncc(C#N)s2)nc(Cl)c1	2696
+CC(C)(C)[SiH2]OC(C)(C)c1cccc(n1)C(O)C	1394
+CC(C)(C)[SiH2]OC(C)(C)c1cccc(C(C)=O)n1	955
+CC(C)(C)[SiH2]OC(C)(C)c1cc(C(=O)C)ncc1	7624
+CC(C)(C)[SiH2]OC(C)(C)c1cccc(n1)C(O)C	4224
+CC(C)(C)[SiH2]OC(C)(C)c1nc(C=O)ccc1	178
+n1c(Nc2cc(CO)cc(Cl)n2)sc(c1)C#N	1412
+CC(C)(C)[Si](C)(C)OCc1cccc(c1)-c2cnc(N)cc2	7625
+CC(C)(C)[Si](C)(C)C#Cc1c(cc(Br)cn1)F	961
+CC(C)(C)[Si](C)(C)C#Cc1ncc(cc1F)-c2ccc(cc2)Cl	2056
+c1cc(ccc1Cl)-c2cc(c(C#C)nc2)F	7626
+CC(C)(C)[Si](C)(C)CCCOCC(CN)O	906
+CC(C)(C)[Si](C)(C)OC1C2CCC(C(CCO[Si](C)(C)C(C)(C)C)=C)C2(CCC1)C	19
+CC(C)(C)[Si](C)(C)OCc1ccc(C(C)(C)C)c(c1)[N+]([O-])=O	19
+CC(C)(C)c1nn(c(N)c1)CCO[Si](C)(C)C(C)(C)C	19
+CC(C)(C)c1nc(c2c[nH]nc2n1)N3CC(O[Si](C)(C)C(C)(C)C)CC3	19
+CC(C)(C)[Si](C)(C)OCC(C)(C)CCC#N	19
+CC(C)(C)[Si](C)(C)OCC(C)(C)CO	19
+CC(C)(C)[Si](C)(C)OCC(N)CC(C)(C)F	19
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)C(C)(C)O	19
+CC(C)(C)[Si](C)(C)OCC(C(C)C)N1c2cc(c(Br)cc2C(=O)C(=C1)C(OCC)=O)OC	19
+CC(C)(C)[Si](C)(C)OCC(COC(C)C)O	19
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)Sc2cc3C=C(C)C(C)(C)Oc3cc2	154
+CC(C)(C)[Si](C)(C)OC1CCC2(C)C(C1(C)C)CCC=3C4=CCC(C(C)CCC(=O)OC)C4(C)CCC2=3	19
+CC(C)(C)[Si](C)(C)OCCC(O)C1=CC(N(C=C1)C2=CC(C)(C)Oc3c2cc(C#N)cc3)=O	19
+CC(C)(C)[Si](C)(C)OC(C)C1NC(C)(C)CC(=O)C1	19
+CC(C)(C)[Si](C)(C)OCCCc1c(Br)cc2C(C)(C)CCC(C)(C)c2c1	19
+CC(C)(C)[Si](C)(C)OC1CC(C)CC(c2ccncc2[N+]([O-])=O)=C1	947
+CC(C)(C)[Si](C)(C)OCCC(O)CCCCCCCCCCC	19
+CC(C)(C)[Si](C)(C)OCC(O)CN(C)C	19
+CC(C)(C)[Si](C)(C)Oc1c(NC(=S)Nc2cccc(c2Cl)F)ccc(Cl)c1S(=O)(=O)N(C)C	154
+CC(C)(C)[Si](C)(C)Oc1c(c(Cl)ccc1NC(Nc2cccc(F)c2F)=S)S(=O)(=O)N(C)C	154
+CC(C)(C)[Si](C)(C)Oc1c(c(Cl)ccc1NC(Nc2c(cccc2)Cl)=S)S(=O)(=O)N(C)C	154
+CC(C)(C)[Si](C)(C)Oc1cc(C)ccc1Cl	154
+CC(C)(C)[Si](C)(C)OCC(Nc1c([N+](=O)[O-])c(Cl)nc(c1C)C)C	19
+CC(C)(C)[Si](C)(C)OCCSc1ccc(c(C)n1)[N+]([O-])=O	19
+CC(C)(C)[Si](C)(C)Oc1cc(Br)c(Cl)cc1	154
+CC(C)(C)[Si](C)(C)OCc1cc(cc(Cl)c1)C(=O)OC	19
+CC(C)(C)[Si](C)(C)OCC(O)c1ccc(Cl)c(F)c1	19
+CC(C)(C)[Si](C)(C)OCc1n(c2ccc(cc2c1)Cl)CCCSC	19
+CC(C)(C)[Si](C)(C)OC(c1cccc(Cl)c1)C(=O)OC	4225
+CC(C)(C)[Si](C)(C)OC(c1cc(ccc1)Cl)C=C	947
+CC(C)(C)[Si](C)(C)OCCC(C(O)=O)Cn1cc(cn1)Cl	19
+CC(C)(C)[Si](C)(C)OCc1cc(Cl)ncc1	19
+CC(C)(C)[Si](C)(C)OCC1C(CC(N2C(NC(=O)C(C#CCNC(=O)C(F)(F)F)=C2)=O)O1)O	19
+FC(F)(F)c1cc(c(cc1)N2CCCC(C2)O[Si](C)(C)C(C)(C)C)[N+](=O)[O-]	19
+CC(C)(C)[Si](C)(C)OCC(=O)N1C(C(=O)N)CC(C1)F	1952
+CC(C)(C)[Si](C)(C)OC(COC(c1ccccc1CCC(=O)OC)C)CN2C(CCC2)Cc3cc(F)c(C)cc3	19
+CC(C)(C)[Si](C)(C)OCCc1ccccc1F	19
+CC(C)(C)[Si](C)(C)OCCc1ccccc1C#N	19
+CC(C)(C)[Si](C)(C)OC1C2=NC(C)=C(C(=O)N2CCC1)CCCl	19
+CC(C)(C)[Si](C)(C)OC1C(C(OCOC)CC=2C1CON=2)OC(OC)=O	19
+CC(C)(C)[Si](C)(C)Oc1cc(c(N)cc1)[N+]([O-])=O	154
+CC(C)(C)[Si](C)(C)OCc1ncc(Br)c(c1C)OC	19
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1OC)C(C)=O)OC	154
+CC(C)(C)[Si](C)(C)OC(CC(C)=O)CC(OC)=O	19
+CC(C)(C)[Si](C)(C)OC1CCN(C(Nc2c(C)c(Cl)c(C#N)cc2)=O)C1C(=O)OC	19
+CC(C)(C)[Si](C)(C)OCCNC=C(C(=O)OCC)C(c1c(c(cc(c1)I)F)F)=O	19
+CC(C)(C)[Si](C)(C)OCCCON1C(c2c(C1=O)cccc2)=O	19
+CC(C)(C)[Si](C)(C)Oc1c(C=O)cccc1	154
+CC(C)(C)[Si](C)(C)Oc1c2nc(C=O)ccc2ccc1	2858
+CC(C)(C)[Si](C)(C)OC(CI)c1ccc(c(NS(=O)(=O)C)c1)OCc2ccccc2	19
+CC(C)(C)[Si](C)(C)OCCCNc1ccc(NS(=O)(=O)c2ccc(cc2)NC(C)=O)cc1[N+]([O-])=O	19
+CC(C)(C)[Si](C)(C)OC(C)CN	19
+CC(C)(C)[Si](C)(C)OC(CCl)CC(OC)=O	19
+CC(C)(C)[Si](C)(C)OCCCC(O)c1cscc1	19
+CC(C)(C)[Si](C)(C)OC1CC2C(C)(C3CCC4(C(c5ccoc5)CCC4(C3CC2)O)C)CC1	19
+CC(C)(C)[Si](C)(C)OCC1(CC1)CO	19
+CC(C)(C)[Si](C)(C)OCCO	19
+CC(C)(C)[Si](C)(C)OCCOCCO	19
+CC(C)(C)[Si](C)(C)OCc1ccc(c(n1)NC)C	19
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)N	19
+CC(C)(C)[Si](C)(C)OCCOc1cc(c(cc1)[N+](=O)[O-])C	19
+CC(C)(C)[Si](C)(C)OCCc1cc(C)cs1	19
+CC(C)(C)[Si](C)(C)OCc1cc(cs1)C	19
+CC(C)(C)[Si](C)(C)OCC1CCCN(c2ccccc2C=O)C1	19
+CC(C)(C)[Si](C)(C)OCCSCc1ccnc(Nc2ncc(F)c(c2)-c3c(OC)cc(cc3)F)c1	19
+CC(C)(C)[Si](C)(C)OCc1nc(Cl)cc(OC)c1	19
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)-c2ccccc2[N+]([O-])=O	154
+CC(C)(C)[Si](C)(C)OCc1cc(-c2cc([N+](=O)[O-])ccc2F)ccc1	19
+CC(C)(C)[Si](C)(C)Oc1c(cc(F)c(c1)F)OC	154
+CC(C)(C)[Si](C)(C)OCCc1ccsc1Br	19
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(-c2cccc(C=O)c2)c(c1Cl)C	154
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1OC)C=O	154
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(C)c1)Br	154
+CC(C)(C)[Si](C)(C)OCC1=Cn2ccc(c2C(N1)=O)C	947
+CC(C)(C)[Si](C)(C)OC1CN2C(c3ccccc3NC(C2C1)=O)=O	19
+CC(C)(C)[Si](C)(C)Oc1ccc2cc([nH]c2c1)C(=O)O	154
+CC(C)(C)[Si](C)(C)OC(C)C(Nc1ccc(c(Cl)c1C)C#N)C(NNC(c2ccc3c(c2)cc[nH]3)=O)=O	19
+CC(C)(C)[Si](C)(C)Oc1cccc2ccc(nc12)C	2858
+CC(C)(C)[Si](C)(C)Oc1ccc2cn[nH]c2c1	154
+CC(C)(C)[Si](C)(C)Oc1ccc(Br)c2ccccc12	154
+CC(C)(C)[Si](C)(C)OC(CNCc1occc1)Cn2c3ccccc3c4c2cccc4	19
+CC(C)(C)[Si](C)(C)OCCc1c[nH]c2c1c(nc(n2)SC)Cl	19
+CC(C)(C)[Si](C)(C)Oc1c(NC(=S)Nc2c(Br)cccc2)ccc(c1)C#N	154
+CC(C)(C)[Si](C)(C)OCc1nc(Br)ccc1	19
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)C#N	154
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(c1)C)C=O	154
+CC(C)(C)[Si](C)(C)OCc1cc(C)c(Br)cc1	19
+CC(C)(C)[Si](C)(C)OCc1c2c(ccc1)C(=O)CCN2CC	19
+CC(C)(C)[Si](C)(C)OCc1cc(cc(Br)c1)CO	19
+CC(C)(C)[Si](C)(C)OCc1cc2c(n[nH]c2C(OC)=O)cc1	19
+CC(C)(C)[Si](C)(C)Oc1c(cc(Oc2c(cc(cc2Cl)[N+](=O)[O-])Cl)cc1)C(C)C	154
+CC(C)(C)[Si](C)(C)OCc1cccc(c1)N	19
+CC(C)(C)[Si](C)(C)Oc1cccc(N)c1	154
+CC(C)(C)[Si](C)(C)Oc1cccc(O)c1	154
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1OC)C2c3cc4OCOc4cc3C(C5C(=O)OCC25)N)OC	154
+CC(C)(C)[Si](C)(C)Oc1ccc(c(Br)c1)[N+]([O-])=O	154
+CC(C)(C)[Si](C)(C)Oc1cc(cc(F)c1)Br	154
+CC(C)(C)[Si](C)(C)OCc1cc2c(n1C)ccc(Br)c2	19
+CC(C)(C)[Si](C)(C)Oc1ccc(C(C)=O)cc1CC	154
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1F)F	154
+CC(C)(C)[Si](C)(C)OCC1C(O)Cc2ccccc12	19
+CC(C)(C)[Si](C)(C)OCCCc1c[nH]c2ccccc12	19
+CC(C)(C)[Si](C)(C)Oc1cc2c([nH]nc2)cc1	154
+CC(C)(C)[Si](C)(C)Oc1ccc2c(cc[nH]2)c1	154
+CC(C)(C)[Si](C)(C)Oc1c(Br)ccc2ccc(C)nc12	2858
+CC(C)(C)[Si](C)(C)OCc1ccc(c(c1)[N+]([O-])=O)C(=O)OC	19
+CC(C)(C)[Si](C)(C)OCc1c2cccc(C)c2c(OCOC)cc1	19
+CC(C)(C)[Si](C)(C)OCc1cccc(C)c1CO	19
+CC(C)(C)[Si](C)(C)OCCSc1ccc2NCCc2c1	19
+CC(C)(C)[Si](C)(C)OC(c1ncco1)C2CCc3cc(ccc3C2)-c4ccccc4	19
+CC(C)(C)[Si](C)(C)OCCCCCCCCOc1cc([N+]([O-])=O)c(cc1)-c2ccccc2	19
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)C(OCC)=O	4225
+CC(C)(C)[Si](C)(C)OCC(CO)c1ccccc1	19
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCC(O[Si](C)(C)C(C)(C)C)CC(C(=O)O)CCCCCCC	19
+CC(C)(C)[Si](C)(C)OCCN(Cc1ccccc1)CCC2OCCO2	19
+CC(C)(C)[Si](C)(C)OCCCC1NCCN(C1)Cc2ccccc2	19
+CC(C)(C)[Si](C)(C)OCCC(O)C1N(CCC1)C(C2CCCN2C(NCc3ccccc3)=O)=O	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)CCC(=O)OCc2ccccc2	154
+CC(C)(C)[Si](C)(C)OC1C(CN(C(=O)OCc2ccccc2)C1)N	19
+CC(C)(C)[Si](C)(C)OCC(Nc1nc(ccc1[N+]([O-])=O)OC)COCc2ccccc2	19
+CC(C)(C)[Si](C)(C)OCC(O)COCc1ccccc1	19
+CC(C)(C)[Si](C)(C)OCCC(Oc1ccccc1)C(O)=O	19
+CC(C)(C)[Si](C)(C)OCCCc1ccc(cc1)Br	19
+CC(C)(C)[Si](C)(C)OC(C(Nc1ccc(c(Cl)c1)C#N)C(NNC(c2ccc(cc2)C#N)=O)=O)C	19
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C(=O)O	19
+CC(C)(C)[Si](C)(C)OCC(c1ccc(cc1)Br)C	19
+CC(C)(C)[Si](C)(C)OCC(c1ccc(cc1)Cl)O	19
+CC(C)(C)[Si](C)(C)OCCOCc1ccc(cc1)C(OC)=O	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2c3c(C(C2C(OCC)=O)=O)cccc3	154
+CC(C)(C)[Si](C)(C)OCC(Cc1ccc(cc1)Br)C	19
+CC(C)(C)[Si](C)(C)OC(c1cccc(N2C(=O)C(Cc3ccc(cc3)-c4ccccc4C#N)=C(N=C2C)CCCC)c1)C	19
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)Br	19
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)F	19
+CC(C)(C)[Si](C)(C)OCC(c1c(F)ccc(c1)Br)(NCc2ccc(cc2)OC)C	19
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C=O	19
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)O	19
+CC(C)(C)[Si](C)(C)OC1CC(C(OC)=O)N(C(OCc2ccc(cc2)OC)=O)C1	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)Cc2c(sc(c2)Br)Cl	154
+CC(C)(C)[Si](C)(C)OC(Cc1ccc(cc1)F)CCC2NC(CC2)=O	19
+CC(C)(C)[Si](C)(C)OC(C)C(Nc1ccc(c(Cl)c1C)C#N)C(NNC(=O)c2ccc(cc2)I)=O	19
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)I	19
+CC(C)(C)[Si](C)(C)OCCCc1c(nc2ccnn2c1Nc3ccc(cc3)OCC)Cl	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2C(C(OCC)=O)N(C(=O)C2)C	154
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)O	154
+CC(C)(C)[Si](C)(C)OC(CC=C)CCC1C(c2c(ccc(c2OC1)F)F)S(=O)(=O)c3ccc(cc3)Cl	19
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)[N+](=O)[O-]	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)[N+]([O-])=O	154
+CC(C)(C)[Si](C)(C)Oc1c(c(cc(N2C(c3c(C2=O)cccc3)=O)c1)C(=O)OCc4ccc(cc4)[N+]([O-])=O)C	154
+CC(C)(C)[Si](C)(C)OCCc1ccncc1	19
+CC(C)(C)[Si](C)(C)OCc1ccncc1	19
+CC(C)(C)[Si](C)(C)OCC1(c2c(-c3c1cccc3)cccc2)COC	19
+CC(C)(C)[Si](C)(C)OCCCSc1c(C#N)cnc2c1cc(cc2)I	19
+CC(C)(C)[Si](C)(C)OCc1[nH]c2ncccc2c1	19
+CC(C)(C)[Si](C)(C)Oc1c2cc[nH]c2ccc1	154
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)N2C(=O)c3ccccc3C2=O	19
+CC(C)(C)[Si](C)(C)OCCSc1c2c(ccc(c2)F)nc(CC)c1-c3ccccc3	19
+CC(C)(C)[Si](C)(C)OCC(C)(C)c1cc(N)n(-c2ccccc2)n1	19
+CC(C)(C)[Si](C)(C)OCCC(c1ccccc1)(CCCl)O	19
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CCO[Si](C)(C)C(C)(C)C)O	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C(Cc2ccccc2)=O	154
+CC(C)(C)[Si](C)(C)OCCOc1ccc(cc1)C(CCc2ccccc2)=O	19
+CC(C)(C)[Si](C)(C)OCCc1cc([N+](=O)[O-])cc(F)c1N(Cc2ccccc2)C	19
+CC(C)(C)[Si](C)(C)OCCC1N(Cc2ccccc2)C(C(OC1)C)=O	19
+CC(C)(C)[Si](C)(C)OCC1(N)CC(N(CC1)C(=O)OCc2ccccc2)C	19
+CC(C)(C)[Si](C)(C)OCC(C)NC(=O)OCc1ccccc1	19
+CC(C)(C)[Si](C)(C)OC1CN(C(OCc2ccccc2)=O)C(C(O)=O)C1	19
+CC(C)(C)[Si](C)(C)OCCCNC(OCc1ccccc1)=O	19
+CC(C)(C)[Si](C)(C)OCC(O)c1cc(NC(=O)OCc2ccccc2)ccc1	19
+CC(C)(C)[Si](C)(C)OCC=1CC(CCOCc2ccccc2)CCC=1	947
+CC(C)(C)[Si](C)(C)OCC(C)CCCOCc1ccccc1	19
+CC(C)(C)[Si](C)(C)OC(c1ccc(c(c1)C(OC)=O)OCc2ccccc2)CBr	19
+CC(C)(C)[Si](C)(C)OCC(O)Cc1ccc2CCCc2c1OCc3ccccc3	19
+CC(C)(C)[Si](C)(C)OCCNc1c2c(ncc1[N+](=O)[O-])cc(OCc3ccccc3)cc2	19
+CC(C)(C)[Si](C)(C)Oc1c(cc(OCc2ccccc2)cc1)Br	154
+c1ccccc1COc2cncc(OCc3ccccc3)c2CO[Si](C)(C)C(C)(C)C	19
+CC(C)(C)[Si](C)(C)OCC(Cc1oc(cc1)C(Nc2ccccc2)=O)C(O)C	19
+CC(C)(C)[Si](C)(C)OCCNc1ccccc1	19
+CC(C)(C)[Si](C)(C)OC(C([N+]([O-])=O)C)c1cn2c(cc1)ncn2	19
+CC(C)(C)[Si](C)(C)OCc1ccc(C)c(Nc2ccnc(Cl)n2)c1	19
+CC(C)(C)[Si](C)(C)OCc1ccc(N)nc1	19
+CC(C)(C)[Si](C)(C)OCc1cnc(nc1)Nc2ccccc2	19
+CC(C)(C)[Si](C)(C)OCCn1ncc2C(=O)CCCc12	19
+CC(C)(C)[Si](C)(C)OCCc1c(Cl)nc2ccnn2c1Cl	19
+CC(C)(C)[Si](C)(C)N1CCN(CC1)CCC#N	987
+c1cc(ccc1Cc2c(C)nc3c(c2C)c(ccc3Cl)CC(=O)OC)Cl	7627
+CC(C)(C)[Si](C)(C)OC(C(NC(=O)OC(C)(C)C)C(C)C)CC(O)=O	4
+CC(C)(C)[Si](C)(C)OC(C(CO)C)C1COC(C)(C)O1	2859
+CC(C)(C)[Si](C)(C)OC(C1COC(C)(C)O1)C(CN=[N+]=[N-])C	3422
+FC(F)(F)C(O)CC(C)(C)c1ccccn1	35
+CC(C)(C)[Si](C)(C)OC(C(NC(Nc1cccc(C)c1)=O)C)c2ccc3ncnn3c2	282
+N(C(Nc1cccc(C)c1)=O)C(C)C(c2ccc3n(ncn3)c2)O	35
+CC(C)(C)[Si](C)(C)OC(C)C(c1nnc(o1)-c2ccc(cc2)C#N)Nc3cc(Cl)c(C#N)cc3	877
+CC(C)(C)[Si](C)(C)OC(C(N)C)c1cn2c(ncn2)cc1	157
+CC(C)(C)[Si](C)(C)OC(C)(C)C1COCc2n1c3c(cnc4ccccc34)n2	2860
+CC(C)(C1COCc2nc3c(c4ccccc4nc3)n12)O	35
+CC(C)(C)[Si](C)(C)OC(C)(C)CC(=O)NC(C#N)c1cc(ccc1OC)Cl	9
+CC(C)(C)[Si](C)(C)OC(C)(C)Cn1c2c(cn1)cc(cc2)Oc3ccc(cc3CN)F	107
+CC(C)(C)[Si](C)(C)OC(C)C(Nc1ccc(c(Cl)c1C)C#N)c2nnc(o2)-c3cc4c([nH]cc4)cc3	1705
+c1cc(ccc1-c2oc(C(Nc3ccc(C#N)c(Cl)c3)C(C)O)nn2)C#N	35
+c1cc(ccc1)CN2C(C(OCC2C(O)C)C)=O	35
+CC(C)(C)[Si](C)(C)OC(C1CC(O)CC(C)(C)N1)C	100
+CC(C)(C)[Si](C)(C)OC(C)CNc1ccc(c(C#N)c1)OC	250
+CC(C)(C)[Si](C)(C)OC(CONC(=O)C1=C(Nc2c(F)cc(Br)cc2)N(C(C=C1)=O)C)C	7628
+CC(C)(C)[Si](C)(C)OC(C1CC(Oc2ccc(-c3c(OC)cc(-n4nccc4)cc3)nn2)CC(C)(C)N1)C	485
+CC(C)(C)[Si](C)(C)OC(C(CN=[N+]=[N-])C)C(CO)O	265
+c1ccccc1Oc2cc3CCC(Cc3cc2)C(O)c4ncc(-c5cccc(C(=O)OC)n5)o4	35
+CC(C)(C)[Si](C)(C)OC(CNC(C)COc1ccc(cc1)CC(=O)OC)c2ccccc2	110
+CC(C)(C)[Si](C)(C)OC(Cc1cc(-c2ccccc2)ccc1)CCC3CCC(N3CCCc4ccc(cc4)C(=O)OC)=O	638
+CC(C)(C)[Si](C)(C)OC(CCC1CCC(N1CCCc2ccc(cc2)C(OC)=O)=O)Cc3cc(F)ccc3	638
+CC(C)(C)[Si](C)(C)OC(CCCC(C=CC1C(OC2CCCCO2)CC(Cl)C1CCCc3ccc(C(OC)=O)s3)O)C	1565
+C1(CC(C(C=CC(O)CCCC(O)C)C1CCCc2sc(C(=O)OC)cc2)OC3OCCCC3)Cl	35
+OB(O)c1ccc(cc1)OC(C(O)CCc2cnccc2)C	35
+CC(C)(C)[Si](C)(C)OC(CCc1cnccc1)C(Oc2ccc(cc2)B(O)O)C	579
+CC(C)(C)[Si](C)(C)OC(CCc1cnccc1)C(Oc2ccc(cc2)B(O)O)C	281
+CC(C)OB(OC(C)C)c1ccc(cc1)OC(C(CCc2cnccc2)O[Si](C)(C)C(C)(C)C)C	585
+CC(C)(C)[Si](C)(C)OC(CC=O)CCl	59
+FC(F)(F)C(Nc1ccc(cc1)C#CCCCNCC(c2c3c(nc(O)cc3)c(O)cc2)O[Si](C)(C)C(C)(C)C)=O	132
+CC(C)(C)[Si](C)(C)OC(c1c2c(nc(O)cc2)c(O)cc1)CNCC3(CCN(CC3)CCCOCCc4ccccc4)O	122
+c1cc(ccc1CC(=O)OC)OCC(C)NCC(c2ccccc2)O	35
+CC(C)(C)[Si](C)(C)OC(COC(c1c(cccc1)CC(C)(C)C(=O)OC)C)CN2C(CCC2)Cc3cc(F)c(C)cc3	1389
+CC(C)(Cc1c(C(C)OCC(CN2C(CCC2)Cc3cc(F)c(C)cc3)O)cccc1)C(=O)OC	35
+CC(C)(C)[Si](C)(C)OC(COC(C)c1c(cccc1)CC(C)C(=O)OC)CN2C(CCC2)Cc3cc(F)c(C)cc3	2544
+c1c(cc(c(NC2=C(C=CC(=O)N2C)C(NOCC(O)C)=O)c1)F)Br	35
+CC(C)(C)[Si](C)(C)OC(CCC1CCC(N1CCCc2ccc(cc2)C(=O)OC)=O)Cc3ccc(cc3)F	638
+CC(C)(C)[Si](C)(C)OCCc1ccc(CCO)s1	21
+c1ccccc1CCOCCCN2CCC(CC2)(O)CNCC(O)c3ccc(O)c4nc(O)ccc34	35
+c1(cc(ccc1)C(O)CC(CC=C)O)Br	35
+COC(OC)c1nc2c(CCCN2C(Nc3ncc(C#N)c(NCCOC)c3)=O)cc1C(O)C	35
+CC(C)(C)[Si](C)(C)OC(c1cc2c(nc1C(OC)OC)N(C(Nc3ncc(C#N)c(NCCOC)c3)=O)CCC2)C	2861
+CC(C)(C)[Si](C)(C)OC(CBr)c1cc(CO)c(OCc2ccccc2)cc1	98
+CC(C)(C)[Si](C)(C)OC(CN1CC(C(OCC)=O)CCC1)c2ccc(cc2)C(N)=NO	253
+CC(C)(c1ccccc1CCC(c2cccc(C=Cc3nc4c(ccc(Cl)c4)cc3)c2)O)OC5OCCCC5	35
+CC(C)(C)[Si](C)(C)OC(C=O)c1ccccc1	578
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(F)CC(O)CC2	118
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(CC(CC2)OS(=O)(=O)C)F	7
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCO	347
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCNc2c([N+]([O-])=O)cnc3ccccc23	105
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCN	18
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCNc2c(cnc3ccccc23)N	13
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCN=[N+]=[N-]	133
+CC(C)(C)[Si](C)(C)OC1(CCN(CC1)C(=O)OC(C)(C)C)c2nc(cn2CCO)-c3ccc(c(C)c3)F	168
+CC(C)(C)[Si](C)(C)OC1CCN(Cc2ccc(cc2)C)C1=O	806
+CC(C)(C)[Si](C)(C)OC1CCN(C1=O)Cc2ccc(cc2)Cl	806
+CC(C)(C)[Si](C)(C)OC1COC(c2cnccc2)C1CCC(=O)O	4
+CC(C)(C)[Si](C)(C)OC1COC(c2cccnc2)C1C=CC(OC)=O	1667
+CC(C)(C)[Si](C)(C)OC1CC(N)CC1COCc2ccccc2	18
+CC(C)(C)[Si](C)(C)OC1CC(Oc2cc(ncn2)NC3C(OC)Cc4c3cccc4)CC1CO	35
+CC(C)(C)[Si](C)(C)OC1C(CN(C(OCc2ccccc2)=O)C1)Nc3cc(c(-c4ccc(nc4OC)C(C)C)nc3)C	3526
+CC(C)(C)[Si](C)(C)OC1CN(CC1C=C)C(OC(C)(C)C)=O	2800
+CC(C)(C)[Si](C)(C)OC1C(CC(Oc2cc(NC3c4ccccc4CC3OC)ncn2)C1)CO[Si](C)(C)C(C)(C)C	40
+CC(C)(C)OC(NC1(C(CCC1)O)CNc2ccc(c(c2C)Cl)C#N)=O	35
+CC(C)(C)[Si](C)(C)OC1C(NC(=O)OC(C)(C)C)(CCC1)CNc2c(c(c(cc2)C#N)Cl)C	291
+C1CC(CCC1)NC(=O)NC2COC3C(COC23)O	35
+CC(C)(O)CCCC(C)C1C2(C)C(CCC1)C(O)CCC2	35
+CC(C)(C)[Si](C)(C)OCCC1(C2C3(C)C(CC2)C(CCC3)O[Si](C)(C)C(C)(C)C)CC1C(OCC)=O	7629
+CC(C)(C)[Si](C)(C)OC1C=C(CC=C)C(C1)(O)C	7630
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)OCc2ccc(cc2)OC)C(C(O)=O)C1	4
+CC(C)(C)[Si](C)(C)OC1CC(C)CC(c2ccncc2N)=C1	13
+CC(C)(C)[Si](C)(C)OC1CC(C1)=O	86
+CC(C)(C)[Si](C)(C)OC1CCC(N2c3nc(ncc3CN(c4ccc(cc4)CC)C2=O)Cl)C1	7631
+CC(C)(C)[Si](C)(C)OC1CCCC(N2C(=O)C=CC(c3c4ccccn4nc3-c5ccccc5)=N2)C1	4226
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)OCC=C)C(CCCOS(=O)(=O)C)C1	7
+c1cc(ccc1)COC(N2CC(CC2C(=O)OC(c3ccccc3)C(=O)c4ccccc4)O)=O	35
+CC(C)(C)[Si](C)(C)OC1CC(Nc2nc(nc(n2)Cl)NC3C(OC)Cc4ccccc34)CC1COCc5ccccc5	387
+c1cc(ccc1CC)N2C(N(C3CC(O)CC3)c4nc(Nc5ccc(cc5)F)ncc4C2)=O	35
+c1cc(ccc1)C(=O)N2C(C(=CN(C3CC(O)CCC3)C2=O)C)=O	35
+CC(C)(C)[Si](C)(C)OC1CCC2(C3C(C4(C(C)(C(CC4)c5cocc5)CC3)OC)CCC2C1)C	76
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)Nc2ccccc2I	231
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)COS(=O)(=O)c2ccc(cc2)C	36
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)n2c3c(cccc3)cc2C4CC4	4227
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)Nc2nc3N(Cc4ccccc4)C(=O)N(Cc3cn2)c5ccccc5Cl	7632
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)c2c(ccc(C(=O)O)n2)F	1
+C1CC(CCC1n2c(cc3c2cccc3)C4CC4)O	35
+CC(C)(C)[Si](C)(C)OC1CC(CC1)Nc2c(CNc3ccc(cc3)CC)cnc(n2)Cl	40
+CC(C)(C)[Si](C)(C)OC1CC(N2C(=O)N(c3ccc(cc3)CC)Cc4c2nc(Nc5ccc(cc5)F)nc4)CC1	55
+CC(C)(C)[Si](C)(C)OC1CCC(N)C1	18
+CC(C)(C)[Si](C)(C)OC1CCC2(C)C(C1(C)C)CCC=3C4=CCC(C(CCC(=O)O)C)C4(CCC2=3)C	4
+CC(C)(C)[Si](C)(C)OC1CCC2(C)C(C1(C)C)CCC=3C=4C(CCC2=3)(C)C(C(C)CCCNc5ccccc5)CC=4	4228
+c1cc(ccc1)NCCCC(C)C2C3(C(C4=C(CC3)C5(CCC(C(C)(C)C5CC4)O)C)=CC2)C	35
+C1C2C(CCC(O)C2)(C3C(C1)C4(C(C)(C(c5ccoc5)CC4)CC3)OC)C	35
+c1ccccc1-c2nn3c(c2C4=NN(C(=O)C=C4)C5CC(O)CCC5)cccc3	35
+CC(C)(C)[Si](C)(C)OC1CC(N2C=C(C(N(C2=O)C(=O)c3ccccc3)=O)C)CCC1	4229
+CC(C)(C)[Si](C)(C)OC1CCCC2(C1CCCC2=CC)C	3691
+CC(C)(C)OC(N1CCNC2C(O)CCCC12)=O	35
+CC(C)(C)[Si](C)(C)OC1CN(CCC1)c2c(cc(cc2)C(F)(F)F)NC(c3cc(ccc3F)I)=O	50
+CC(C)(C)[Si](C)(C)OC1CCN(C(Nc2c(C)c(Cl)c(C#N)cc2)=O)C1COC	21
+CC(C)(C)[Si](C)(C)OC1CCN(C1CO)C(=O)Nc2c(C)c(Cl)c(C#N)cc2	88
+CC(C)(C)[Si](C)(C)OC1CCN(C1)c2ncc(N3C=CC(OS(=O)(=O)c4ccc(cc4)Br)=CC3=O)cc2	7633
+CC(C)(C)[Si](C)(C)OC1CCN(C1)c2ncc(N3C=CC(O)=CC3=O)cc2	923
+c1cc(ccc1CN2CCC(O)C2=O)Cl	4230
+Cc1cc(cc(C)c1NC(c2cc(N3CCC(CC3)O)nc4ccccc24)=O)C(OC)=O	35
+CC(C)(C)[Si](C)(C)OC1CCN(CC1)c2cc(c3c(cccc3)n2)C(=O)Nc4c(C)cc(cc4C)C(OC)=O	286
+CC(C)(C)[Si](C)(C)OC1CCc2c(-c3cnc(-c4ccc(c(C#N)c4)OC(C)C)s3)cccc12	57
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(-c3c4CCC(O)c4ccc3)s2	35
+C1CCN(C1)CC#CCN2CC(O)CC2=O	35
+CC(C)(C)[Si](C)(C)OC1CN(C(OCC=C)=O)C(CCCn2cncc2)C1	1193
+CC(C)(C)[Si](C)(C)OC1CC(N(C(=O)OCc2ccc(cc2)OC)C1)CO	21
+CC(C)(C)OC(=O)N1CC(CNc2c3nccnc3cc(Cl)n2)CC(C1)O	35
+C1C(CC(CCCn2ccnc2)N1C(OCC=C)=O)O	35
+CC(C)(C)[Si](C)(C)OC1CC(N(C(OCc2ccccc2)=O)C1)C(=O)OC(c3ccccc3)C(c4ccccc4)=O	4231
+CC(C)(C)[Si](C)(C)OC1CNC1	62
+c1cc(ccc1C(NC(C)=O)C)N2CC(C2)O	35
+CC(C)(C)[Si](C)(C)OC1CN(CC1)c2c(cc(N)cc2)F	0
+CC(C)(C)OC(=O)N1CC(C(O[Si](C)(C)C(C)(C)C)C1)CC	732
+CC(C)(C)[Si](C)(C)OC1CNCCC1N2CCOCC2	62
+c1ccccc1SCC(Nc2c3ccc(nc3ccc2Cl)N4CC(O)CC4)=O	35
+CC(C)(C)[Si](C)(C)OC1CN(c2ccc3c(c(ccc3n2)Cl)NC(CSc4ccccc4)=O)CC1	4232
+c1(cc(cc(Cl)c1)N2C(=O)C3(Cc4ccc(cc4)C#N)N(CC(O)C3)C2=O)Cl	35
+CC(C)(C)[Si](C)(C)OC1CC2CNc3ccccc3C(=O)N2C1	15
+c12cc(cc(OCC3CC(CN3)O)c1c(ncn2)Nc4cc(Cl)c(F)cc4)OC	35
+CC(C)(C)[Si](C)(C)OC1CN(C1)c2ccc(cc2)C(NC(C)=O)C	79
+CC(C)(C)[Si](C)(C)OC1C(C(c2cnccc2)OC1)CCC(=O)OC	783
+CC(C)(C)[Si](C)(C)OC1C2OCC(N)C2OC1	273
+CC(C)(C)[Si](C)(C)OC1c2c(cnc3c2ccc(O)c3)CCC1	16
+CC(C)(C)[Si](C)(C)OCC#Cc1ncc(N)nc1	3665
+CC(C)(C)[Si](C)(C)OCC(N1CC(F)CC1C#N)=O	143
+CC(C)(C)[Si](C)(C)OCC(C(C)C)N1c2cc(c(NCc3ccc(cc3)F)cc2C(C(C(OCC)=O)=C1)=O)OC	250
+c1(ccc(c(c1)Cl)Cl)C(C)C(Nc2cccc3C(=O)N(C=Cc23)C(C(=O)NC)CO)=O	35
+CC(C)(C)[Si](C)(C)OCC(C)(C)CCC=O	4095
+CC(C)(C)[Si](C)(C)OCC(C)(C)CN1C=C(CO)c2cc(ccc2C1=O)-c3cc(C(NC4CC4)=O)cc(F)c3C	7634
+CC(C)(C)[Si](C)(C)OCC(C)(C)COS(=O)(=O)C	7
+CC(C)(C)[Si](C)(C)OCC(C)(C)CC#N	300
+c1cc(ccc1CC(Nc2nccc(c2)C(c3cn(c4c3cncn4)C(C)(C)CO)=O)=O)C#N	35
+c1cc(ccc1)C(c2ccccc2)=Nc3nccc(C(=O)c4c5cncnc5n(C(C)(C)CO[Si](C)(C)C(C)(C)C)c4)c3	4233
+CC(C)(C)[Si](C)(C)OCC(C)(C)n1c2c(c(C(c3ccnc(NC(Cc4ccc(cc4)C#N)=O)c3)=O)c1)cncn2	142
+CC(C)(C)[Si](C)(C)OCC(Cn1ncc2cc(ccc12)C)C	1090
+CC(C)(C)[Si](C)(C)OCC(CCCO)C	118
+CC(C)(C)[Si](C)(C)OCC(NCC(O)COc1ccc(cc1)OC)C	122
+CC(C)(C)[Si](C)(C)OCC(C)N	102
+CC(C)(C)[Si](C)(C)OCC(OCC(O)C(OC)=O)C	7635
+CC(C)(C)[Si](C)(C)OCC(OCC(C(=O)Nc1ccc(cn1)Cl)Oc2ncnc3n(-c4ncccc4Cl)ncc23)C	7636
+Cc1nc(Cl)c2c(n(C(C)CO)c(CCl)n2)c1C	35
+CC(C)(C)OC(=O)N(C(CO)C=C)CC(N(C)OC)=O	35
+CC(C)(C)[Si](C)(C)OCC(CCCC(C)C1CCC2C1(C)CCC3C4(C(=CC(CC4)=O)CCC23)C)C	7637
+CC(C)(C)[Si](C)(C)OCC(CCCOS(=O)(=O)C)C	7
+CC(C)(C)[Si](C)(C)OCC(C)CCCI	572
+CC(C)(C)[Si](C)(C)OCC(CCO)NCCc1ccc(cc1)C(OC(C)C)=O	110
+c1cc(ccc1OC)COCCC(=C)CO	2755
+CC(C)(C)[Si](C)(C)OCC(CCP(OCC)(OCC)=O)ONc1c(c(ncn1)Cl)NC=O	3381
+CC(C)(C)[Si](C)(C)OCC(CCP(OCC)(OCC)=O)On1c2ncnc(Cl)c2nc1	1876
+CC(C)(C)[Si](C)(C)OCC(On1c2ncnc(c2nc1)N)CCP(OCC)(OCC)=O	1095
+CN(C)CC(CO)OCCCCCCCCC=CCC=CCCCCC	35
+C(C(C)CN1c2cc(C)ccc2OCC1=O)O	35
+CC(C)(C)OC(=O)NCC(CO)n1c2c3c(cccc3)ncc2nc1CCl	35
+CC(C)(C)OC(=O)NCC1COCc2nc3c(c4ccccc4nc3)n12	2860
+CC(C)(C)[Si](C)(C)OCC(C=O)OC	24
+CC(C)(C)[Si](C)(C)OCC(c1ccccc1)CN(S(=O)(=O)c2ccccc2)C	2715
+C(CCCCCCC(=O)OCC(CO)OC)C=CCCCCCCCC	35
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(nc(SCc2c(c(F)ccc2)F)n1)Cl)COC(C)C	145
+CC(C)(C)[Si](C)(C)OCC(On1cnc2c(N)ncnc12)COCP(OCC)(OCC)=O	1095
+c1cc(ccc1)COCC2n3c(COC2)nc4cnc5ccccc5c34	2860
+c1ccccc1COCC(CO)n2c3c(cnc4c3cccc4)nc2CCl	35
+CC(C)(C)[Si](C)(C)OCC1Cc2ccc3c(c2O1)CCC3	419
+C(C(C)Cn1ncc2c1ccc(C)c2)O	35
+CC(C)(C)[Si](C)(C)OCC(NC)CC=C	2
+CC(C)(C)[Si](C)(C)OCC(N1C=Cc2c(cccc2N)C1=O)C(=O)OC	0
+CC(C)(C)[Si](C)(C)OCC(N1C=Cc2c(cccc2NC(C(c3ccc(Cl)c(c3)Cl)C)=O)C1=O)C(=O)OC	33
+CC(C)(C)[Si](C)(C)OCC(C(=O)OC)N1C(c2cccc(c2C=C1)NC(C(C)c3ccc(cc3)Cl)=O)=O	33
+CC(C)(C)[Si](C)(C)OCC(C(NC)=O)N1C=Cc2c(cccc2NC(C(c3ccc(Cl)c(c3)Cl)C)=O)C1=O	248
+N#CC1CC(CN1C(CO)=O)F	4230
+CC(C)(C)[Si](C)(C)OCC(N1c2nc(c(cc2C(C(=C1)C(OCC)=O)=O)CNc3c(cc(cc3F)F)F)OC)C(C)C	7638
+CC(C)(C)[Si](C)(C)OCC(N1c2nc(c(C)cc2C(C(=C1)C(OCC)=O)=O)OC)C(C)C	4188
+CC(C)(C)[Si](C)(C)OCC(Nc1c(C)c(C)nc(c1N)Cl)C	13
+CC(C)(C)[Si](C)(C)OCC(Nc1c(ccc(n1)OC)N)COCc2ccccc2	13
+CC(C)(C)[Si](C)(C)OCC(CN(C)C)OCCCCCCCCC=CCC=CCCCCC	967
+CC(C)(C)[Si](C)(C)OCC(OC)COCc1ccccc1	76
+CC(C)(C)[Si](C)(C)OCC(Cc1ccc2c(c1O)CCC2)O	16
+CC(C)(C)[Si](C)(C)OCC(c1cc(NC(=O)OCc2ccccc2)ccc1)OS(=O)(=O)C	7
+CC(C)(C)[Si](C)(C)OCC(c1ccc(Cl)c(F)c1)OS(=O)(=O)C	7
+CC(C)(C)[Si](C)(C)OCC(CO)OC	118
+Clc1cnc(cc1)NC(C(Oc2c3cnn(-c4ncccc4Cl)c3ncn2)COC(CO)C)=O	35
+CC(C)(C)[Si](C)(C)OCC(C)OCC(C(OC)=O)Oc1c2c(n(-c3ncccc3Cl)nc2)ncn1	7639
+CC(C)(C)[Si](C)(C)OCC(CCP(OCC)(OCC)=O)ON	670
+CC(C)(C)[Si](C)(C)OCC(COCP(OCC)(OCC)=O)On1cnc2c1ncnc2Cl	1876
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(cc(Oc2ncc(C(N3CCC3)=O)cc2Cl)c1)C(Nc4cnc(cn4)C)=O)C	1351
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(Oc2ccc(cc2F)C(=O)N3CCC3)cc(c1)C(=O)Nc4sccn4)C	900
+C1N(CC1)C(c2cnc(Oc3cc(cc(c3)OC(C)CO)C(Nc4cnc(cn4)C)=O)c(Cl)c2)=O	35
+C(C)OP(OCC)(COCC(CO)On1cnc2c(N)ncnc12)=O	35
+O=S(=O)(N(C)CC(CO)c1ccccc1)c2ccccc2	35
+CC(C)(C)[Si](C)(C)OCC1(SCCn2c(C3(CC3)c4ccc(cc4)-c5ccc(C#N)cn5)nnc2C1)C	4234
+CC(C)(C)[Si](C)(C)OCC1(SCCn2c(C3(CC3)c4ccc(cc4)Br)nnc2C1)C	4234
+CC(C)(C)[Si](C)(C)OCC1(CC1)CNCC(OC)=O	1315
+CC(C)(C)[Si](C)(C)OCC1(CC1)C=O	24
+C1CC1(c2nnc3CC(CO)(SCCn23)C)c4ccc(cc4)-c5ccc(C#N)cn5	35
+c1cc(ccc1C2(CC2)c3nnc4CC(CO)(SCCn34)C)-c5occn5	35
+CC(C)(C)[Si](C)(C)OCC1(SCCn2c(C3(CC3)c4ccc(cc4)-c5occn5)nnc2C1)C	4235
+C1C2(CO)CC2C(N1Cc3ccc(cc3OC)OC)=O	35
+CC(C)(C)[Si](C)(C)OCc1cc(C#N)nc(C)c1	7640
+CC(C)(C)[Si](C)(C)OCc1cc(C#N)ncc1	1303
+CC(C)(C)[Si](C)(C)OCC=1C(=O)N(C(N(C=1)C(NCCCCCC)=O)=O)C	2726
+CC(C)(C)[Si](C)(C)OCC1C(C)=CC2CN1C(N2OCC=C)=O	4236
+CC(C)(C)[Si](C)(C)OCC1C(=CC(NOCC=C)CN1)C	2862
+C(=C)CON1C(N2CC1C=C(C2CO)C)=O	35
+CC(C)(C)[Si](C)(C)OCC1C(C)(CCC(C1)OC(=O)C)C2CCC3(C(CCC3=C)C2CC#N)C	300
+CC(C)(C)[Si](C)(C)OC1C(CO[Si](C)(C)C(C)(C)C)CC(C1)Oc2ncnc(Cl)c2	145
+CCOC(=O)C=C1CC(C(CO)C1)CC	35
+CC(C)(C)[Si](C)(C)OCC1C(COC(C)O1)CC=CCCCC(O)=O	3684
+CC(C)(C)[Si](C)(C)OCC1N(C(OC(C)(C)C)=O)CCC1Oc2cc(F)cc([N+](=O)[O-])c2	57
+CC(C)(C)[Si](C)(C)OCC1C(COC(C)O1)CC=CCCCC(=O)OC	325
+CC(C)(C)[Si](C)(C)OCC1CC1(CC#N)c2ncccc2	300
+CC(C)(C)[Si](C)(C)OCC1C(Cc2ccccc12)OS(=O)(=O)C	7
+O(C(=O)N1CC=C(CC1CO)C=2NC(=S)SC=2)CC=C	35
+c1cc(ccc1N2CC(Cn3ccnn3)OC2=O)-c4ccc(cc4)C=5CC(CO)ON=5	35
+C(C1CC(CC1OC(=O)C)n2ccc3c2ncnc3NC4CCc5ccccc45)O	35
+CC(C)(C)[Si](C)(C)OCC1C(C2CCC3(C)C(CCC3C2COS(=O)(=O)C)=C)(C)CCC(C1)OC(=O)C	7
+CC(C)(C)[Si](C)(C)OCC1CC1(c2ccccn2)CCN	51
+CC(C)(C)[Si](C)(C)OCC1C(COS(=O)(=O)C)(C1)c2ncccc2	7
+C(O)C1CC1(CCN)c2ncccc2	35
+CC(C)(C)[Si](C)(C)OCC1CC1(CO)c2ncccc2	237
+CC(C)(C)[Si](C)(C)OCC1CCC(CC1)(C=C)OC	4237
+CC(C)(C)[Si](C)(C)OCC1CCC(CC1)CNCC	15
+O=Cc1c(cc(N2C(CO)CCCC2)s1)Br	35
+c1(ccc(N2CC(CO)CCC2)cc1C(Nc3c(C)c(C(OC)=O)ccc3C)=O)C	35
+CC(C)(C)[Si](C)(C)OCC1CCCN(c2ccc(c(C(Nc3c(C)c(ccc3C)C(OC)=O)=O)c2)C)C1	79
+C1CCC(C1)n2c3c(cnc(Nc4ncc(N5CCC(CC5)CO)cc4)n3)c6ccnc(c26)F	35
+CC(C)(C)[Si](C)(C)OCC1CCN(CC1)c2cnc(Cl)cc2	244
+CC(C)(C)[Si](C)(C)OCC1CNCCN1C2COC2	2
+CC(C)(C)OC(Nc1cc(cc(N2CCN(C(C2)CO)C3COC3)c1Cl)C#N)=O	35
+c1cc(ccc1)CN2CC3COCCN3CC2CO	35
+C1Cc2c(c3c(CC(CO)O3)cc2)C1	35
+CC(C)(C)[Si](C)(C)OCC1CN2CCOCC2CN1Cc3ccccc3	48
+C1(C(OC(N2C=C(I)C(N)=NC2=O)C1)CO)OCC=C	7641
+CC(C)(C)[Si](C)(C)OCC1C(CC=O)COC(O1)C	578
+C1C(CO)OC(C1OC(C)=O)n2cnc3c2ncnc3N	35
+c1(c2[nH]c(C(=O)NC3C(c4c(cccc4)C3)CO)cc2sc1Cl)Cl	35
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2ncnc3sc4c(C(CO)CC4)c23)C	35
+CC(C)(C)[Si](C)(C)OCC1c2c(cccc2)CC1NC(=O)c3cc4sc(c(Cl)c4[nH]3)Cl	81
+O=C(N1C=C(CO)C(=O)N(C1=O)C)NCCCCCC	2755
+CC(C)(C)[Si](C)(C)OCCOc1c(OC)cc([N+]([O-])=O)cc1	8
+CC(C)(C)[Si](C)(C)OCCn1c2ccccc2nc1CN(C)C(=O)CN3C(Sc4c3cc(Cl)cc4)=O	656
+CC(C)(C)[Si](C)(C)OCCOc1c(nc(C=O)cc1)Br	458
+CC(C)(C)[Si](C)(C)OCCOc1ccc(c(OC)c1)[N+]([O-])=O	8
+CC(C)(C)[Si](C)(C)OCCn1ncc2cc(c(cc12)[N+]([O-])=O)C	1090
+CC(C)(C)[Si](C)(C)OCCOc1c(c(-c2c(F)ccc(n2)C(=O)OC)c(cc1)F)F	8
+CC(C)(C)[Si](C)(C)OCCOc1ccc2c(nc(-c3ccc(cc3)[N+](=O)[O-])cn2)c1	8
+CC(C)(C)[Si](C)(C)OCCOc1ccc(cc1)-c2oc(nc2-c3ccc(cc3)OC)OC	8
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)Br	601
+CC(C)(C)[Si](C)(C)OCCC(c1nnc2cc(-c3ccnc(n3)Nc4n(C)ncc4)cc(F)n12)Oc5ccccc5	757
+CC(C)(C)[Si](C)(C)OCCC(c1nnc2cc(-c3ccnc(SC)n3)cc(n12)F)Cn4ncc(c4)Cl	757
+CC(C)(C)[Si](C)(C)OCCC(C(NNc1nc(cc(c1)-c2nc(SC)ncc2)F)=O)Cn3cc(Cl)cn3	355
+CC(C)(CCO)CCN=[N+]=[N-]	35
+CC(C)(C)[Si](C)(C)OCCC(C)(C)CCOS(=O)(=O)C	7
+CC(C)(C)[Si](C)(C)OCCC(C)(C)CCN=[N+]=[N-]	133
+CC(C)(C)[Si](C)(C)OCCC(CC=CC)C	1516
+Clc1cccc(c1)-c2nnn(n2)C(CCO)C	35
+CC(C)(C)[Si](C)(C)OCCC(CCO)C	95
+c1ccccc1COC(CCO)CCCCCCCCCCC	35
+CC(C)(C)[Si](C)(C)OCCC(C)CC=O	24
+CC(C)(C)OC(NC(C(=O)OC1CCCC1)CCO)=O	35
+CC(C)(C)[Si](C)(C)OCCC(c1ccccc1)(O)CCN	18
+CC(C)(C)[Si](C)(C)OCCC(OC(=S)Oc1ccccc1)C=2C=CN(C(=O)C=2)C3=CC(C)(C)Oc4c3cc(C#N)cc4	7642
+CC(C)(C)[Si](C)(C)OCCC(=O)C1CCCN1C(C2N(C(NCc3ccccc3)=O)CCC2)=O	86
+CC(C)(C)[Si](C)(C)OCCC(CCCCCCCCCCC)OCc1ccccc1	1476
+CC(C)(C)[Si](C)(C)OCCC(C(=O)NNc1cc(cc(F)n1)-c2nc(ncc2)Nc3n(C)ncc3)Oc4ccccc4	355
+CC(C)(C)[Si](C)(C)OCCC(O)(c1ccccc1)CCN=[N+]=[N-]	558
+c1ccccc1OC(c2nnc3cc(-c4ccnc(n4)Nc5n(C)ncc5)cc(F)n23)CCO	35
+c1cc(ccc1C#N)C(n2cncc2)CCO	35
+CC(C)(C)[Si](C)(C)OCCc1ccnc(C#N)c1	1303
+CC(C)(C)[Si](C)(C)OCCC1C(C1)C2CCN(CC2)c3ncc(cc3)CO	269
+CC(C)(C)[Si](C)(C)OCCC1C(C1)C2CCN(CC2)c3ccc(COC)cn3	76
+CC1(C)OCC(CCO)N(Cc2ccccc2)C1	35
+CC(C)(C)[Si](C)(C)OCCC1COC(C)(C)CN1Cc2ccccc2	15
+CC(C)(C)[Si](C)(C)OCCC1N(Cc2ccccc2)C(C(C)(C)OC1)=O	7643
+c12c(cc(cc1)C(=O)N)CCOC2CCO	35
+c12c(CCOC1CCO)cc(-c3cnccc3)cc2	35
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)C(=O)OCC	1232
+CC(C)(C)[Si](C)(C)OCCCN1CC(F)(F)CCC1	28
+CC(C)(C)[Si](C)(C)OCCCOc1cc(c(C=O)cc1)OC	8
+CC(C)(C)[Si](C)(C)OCCCN(CCN1CCS(CC1)(=O)=O)S(=O)(=O)c2c(cccc2)[N+](=O)[O-]	831
+CC(C)(C)[Si](C)(C)OCCCOc1ccc(cc1Br)-c2ccc(cc2)C(=O)OCC	8
+CC(C)(C)[Si](C)(C)OCCCN1C(=O)c2n(c(Br)nc2N(C1=O)C)Cc3ccc(cc3)Cl	1474
+CC(C)(C)[Si](C)(C)OCCCC#C[Si](C)(C)C	7644
+CC(C)(C)[Si](C)(C)OCCCc1c2c([nH]c1[Si](C)(C)C)ccc(C(=O)OCC)c2	4238
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)CO	44
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)C=CCO	2624
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)C=O	24
+CC(C)(C)[Si](C)(C)OCCCC(Oc1cc(ccc1C#N)Cl)c2ccsc2	20
+Clc1cc(OC(CCCO)c2ccsc2)c(cc1)C#N	35
+O=S(=O)(N1C(CN(C(OCc2ccccc2)=O)CC1)CCCO)c3ccccc3	35
+CC(C)(C)[Si](C)(C)OCCCC1CN(C(OCc2ccccc2)=O)CCN1S(=O)(=O)c3ccccc3	66
+CC(C)(C)[Si](C)(C)OCCCC1N(CCNC1)S(=O)(=O)c2ccccc2	25
+CC(C)(C)[Si](C)(C)OCCCC1N(S(=O)(=O)c2ccccc2)CCN(C1)Cc3ccccc3	92
+CC(C)(C)[Si](C)(C)OCCCCN1c2c(N=CC1=O)ccc(c2)OC	7645
+C(CCCCO)C(C)OC	35
+CC(C)(C)[Si](C)(C)OCCCCCCC#N	830
+CC(C)(C)[Si](C)(C)OCCCCCCCN	51
+CC(C)(C)N(C(=O)C(=O)OCC)CCCCCCO	35
+c1ccccc1C(N(C2CCCCC2)CCCCCCO)=O	35
+CC(C)(C)[Si](C)(C)OCCCCCCN(C1CCCCC1)C(c2ccccc2)=O	115
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCO	35
+COc1cc2N(C(=O)C=Nc2cc1)CCCCO	35
+CC(C)(C)[Si](C)(C)OCCCCn1cnc2cnc3ccccc3c12	919
+CC(C)(C)[Si](C)(C)OCCCCNc1c(N)cnc2c1cccc2	13
+n1c2c(n(CCCCO)c1)c3c(cccc3)nc2	35
+c1cc(ccc1)COC(=O)N(CC)CCCO	35
+c1ccccc1COC(=O)N(CCCO)C	35
+C(O)CCN(C)c1c(F)cnc(Cl)n1	35
+CC(C)(C)[Si](C)(C)OCCCNCCN1CCS(CC1)(=O)=O	1385
+N1(C(=O)N(c2c(c(C)c(Br)s2)C1=O)C)CCCO	35
+FC1(F)CN(CCCO)CCC1	35
+CC(C)(C)[Si](C)(C)OCCCN(C)C(=O)OCc1ccccc1	4239
+CC(C)(C)[Si](C)(C)OCCCNc1ccc(NS(=O)(=O)c2ccc(cc2)NC(C)=O)cc1N	0
+CC(C)(C)[Si](C)(C)OCCCN(C)c1nc(Cl)ncc1F	1347
+CC(C)(C)[Si](C)(C)OCCCONC(=O)c1c(cc(cc1)F)Nc2c(C)cc(I)cc2	514
+CC(C)(C)[Si](C)(C)OCCCON	670
+c1c(cc(C)c(Nc2c(C(NOCCCO)=O)ccc(c2)F)c1)I	35
+CC(C)(C)[Si](C)(C)OCCCOc1ccc(CO)c(OC)c1	41
+Cc1nc(N)nc(c1Cc2c(cc(cc2)OCCCO)OC)NC(CCOC(C)=O)CCC	35
+CC(C)(C)OC(n1nc(CCCO)c2c1c(ccc2Nc3c(-c4ncccn4)oc5cnccc35)Cl)=O	35
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCCO	35
+CC(C)(C)[Si](C)(C)OCCCc1ccc(cc1)-c2nc(c(nc2)N)C(=O)Nc3cccnc3	7646
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1F)C2CCC(CC2)CC(=O)OC	1627
+CC(C)(C)[Si](C)(C)OCCN(c1ccccc1)C(=O)Cc2cccc(c2)C(NO)=O	1133
+c1ccccc1COc2c(C(=O)N(CCO)C)nc(nc2O)CC3(CCCC3)c4ncccc4	35
+C1COC(O1)CCN(CCO)C(C)=O	35
+Clc1cccc(Cl)c1Cc2nc(O)c(OCc3ccccc3)c(C(=O)N(CCO)C(C)C)n2	35
+CC(C)(C)[Si](C)(C)OCCN(C(c1csc(n1)N2CC(C2)SC(=O)C)=O)C	2128
+CC(C)(C)[Si](C)(C)OCCN(C(c1csc(N2CC(C2)OS(=O)(=O)C)n1)=O)C	7
+c1cc(ccc1C(OCC)=O)N(C)CCO	35
+CC(C)(C)[Si](C)(C)OCCNCCC1OCCO1	25
+Clc1nc(nc(Cl)c1C(=O)N(c2ccc(cc2)Br)CCO)C	35
+c1ccccc1N(CCO)C(Cc2cccc(c2)C(NO)=O)=O	35
+CC(C)(C)[Si](C)(C)OCCN(c1ccccc1)C(Cc2ccc(cc2)C(=O)NO)=O	1133
+CC(C)(C)[Si](C)(C)OCCN1c2cc3c([nH]c(n3)-c4cc([nH]n4)C)cc2C(C)(C)C1=O	567
+CC1(C)c2c(cc(Br)s2)C(=O)N1CCO	35
+CC(C)(C)[Si](C)(C)OCCN1c2nn(Cc3ccc(cc3)OC)cc2-c4c(sc(Nc5ncc(cn5)F)n4)CC1	7647
+C1CN(CCN1c2cnc(cc2)Nc3nc4n(C5CCCC5)c6c(nccc6c4cn3)F)CCO	35
+CC(C)(C)[Si](C)(C)OCCN1CCN(CC1)c2ccc(Cl)nc2	244
+CC1(C)C(=O)N(CCO)c2cc3c([nH]c(n3)-c4cc([nH]n4)C)cc12	35
+c1cc(ccc1OC)Cn2nc3c(c2)-c4c(sc(Nc5ncc(cn5)F)n4)CCN3CCO	35
+CC(C)(C)[Si](C)(C)OCCN(C(=O)c1nc(nc(c1OCc2ccccc2)O)CC3(CCCC3)c4ncccc4)C	147
+CC(C)(C)[Si](C)(C)OCCN(C(C)C)C(=O)c1nc(nc(c1OCc2ccccc2)O)Cc3c(Cl)cccc3Cl	147
+C1CCC(C1)CCC(Nc2c(ccc3nc(N4CCC(NCCO)C4)ccc23)Cl)=O	35
+CC(C)(C)[Si](C)(C)OCCN1c2c(cc(I)cc2F)C(=O)C(C(=O)OCC)=C1	2020
+CC(C)(C)[Si](C)(C)OCCN(C(C)=O)CCC1OCCO1	58
+CC(C)(C)[Si](C)(C)OCCN(C(=O)Cc1ccc(cc1)C(OC)=O)c2c3c(ccc2)cccn3	7648
+CC(C)(C)[Si](C)(C)OCCNc1c2ccc(cc2ncc1N)OCc3ccccc3	13
+CC(C)(C)[Si](C)(C)OCCN(c1ccc(cc1)Br)C(=O)c2c(Cl)nc(nc2Cl)C	4240
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)N2CCc3c(n(nc3C(=O)OCC)-c4ccc(cc4)OC)C2=O	7649
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2c(nccn2)C(Nc3ccc(C#N)cn3)=O)=O	466
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2nccnc2C(Nc3ccc(cn3)C)=O)=O	466
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(=O)c2c(NC(c3ccc(Cl)s3)=O)nccc2	246
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(=O)c2nccnc2NC(c3ccc(cc3)Cl)=O	466
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2c(NC(c3sc(cc3)Cl)=O)cncc2)=O	67
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)N2CCc3c(n(-c4ccc(cc4)OC)nc3C(N)=O)C2=O	1201
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)N2C(=O)c3n(-c4ccc(cc4)OC)nc(C(N)=O)c3CC2	247
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)N2C(c3c(CC2)c(C(=O)O)nn3-c4ccc(cc4)OC)=O	6
+CC(C)(C)[Si](C)(C)OCCN(c1ccc(cc1)NC(=O)c2c(NC(c3ccc(Cl)s3)=O)nccc2)C#N	1201
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)NC(c2nccnc2NC(c3ccc(cc3)Cl)=O)=O	1201
+CC(C)(C)[Si](C)(C)OCCN(c1ccc(cc1)NC(c2c(NC(c3sc(cc3)Cl)=O)cncc2)=O)C#N	1201
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)NC(c2nccnc2C(=O)Nc3ccc(C#N)cn3)=O	1201
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)NC(c2c(C(=O)Nc3ccc(cn3)C)nccn2)=O	1201
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)N	0
+CC(C)(C)[Si](C)(C)OCCN(C(=O)c1c(ncnc1Cl)Cl)c2c(F)cc(cc2)C3CCC(CC3)CC(=O)OC	4240
+CC(C)(C)[Si](C)(C)OCCN(c1ccccc1)C(Cc2ccc(cc2)C(OC)=O)=O	429
+CC(C)(C)[Si](C)(C)OCCOCCC(C)(C)CC=O	24
+CC(C)(C)[Si](C)(C)OCCOCCCCCCN1CC(OC1=O)c2cc3c(cc2)OC(C)(C)OC3	3986
+CC1(C)OCc2c(ccc(c2)C3OC(=O)N(CCCCCCOCCO)C3)O1	35
+CC(C)(C)[Si](C)(C)OCCOCC=O	24
+CC(C)(C)[Si](C)(C)OCCOCc1ccc(cc1)CO	98
+c1c(OCCO)c(cc([N+]([O-])=O)c1)OC	35
+CC(C)(C)[Si](C)(C)OCCOc1ccc(C=O)nc1-c2ccc(cc2)C(=O)N(C)C	119
+c12c(cc(c(c1OC)OC)OC)nc(nc2O)N(Cc3cccc(c3)OCCO)C	35
+CC(C)(C)[Si](C)(C)OCCOc1ccc(N)c(C)c1	0
+CC(C)(C)[Si](C)(C)OCCOc1cc(C=O)cc(C)c1	7650
+CC(C)(C)[Si](C)(C)OCCOc1cccc(CNC)c1	1172
+CN(C)C(c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCO)=O	35
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCO	35
+CC(C)(C)[Si](C)(C)OCCOc1ccc(-c2nc(c3c(cc(OC)cc3OC)n2)O)nc1-c4ccc(cc4)C(N(C)C)=O	2863
+CC(C)(C)[Si](C)(C)OCCOc1ccc(N)c(OC)c1	0
+c1(cc(ccc1[N+]([O-])=O)OCCO)OC	35
+c1cc(ccc1OC)-c2nc(oc2-c3ccc(cc3)OCCO)OC	35
+CC(C)(C)[Si](C)(C)OCCOc1ccc2c(nc(-c3ccc(cc3)N)cn2)c1	0
+CC(C)(C)[Si](C)(C)OCCOc1cc(ccc1)C=NC	853
+CC(C)(C)[Si](C)(C)OCCOc1cc(CN(C)c2nc(c3c(OC)c(c(cc3n2)OC)OC)O)ccc1	549
+CC(C)(C)[Si](C)(C)OCCSc1c(-c2ccccc2)c(C(C)N3C(=O)c4ccccc4C3=O)nc5ccc(cc15)F	7651
+CC(C)(C)[Si](C)(C)OCCSc1c(c(C(Br)C)nc2ccc(cc12)F)-c3ccccc3	7652
+CC(C)(C)[Si](C)(C)OCCSc1ccc(c(C)n1)N	13
+C1CC2(CCN1Cc3cccc(CCO)c3F)CN(C(=O)c4csc(n4)C(C)C)CCO2	35
+CC(C)(C)[Si](C)(C)OCCc1cc(cc(F)c1N(Cc2ccccc2)C)N	0
+CC(C)(C)[Si](C)(C)OCCc1cc(cc(F)c1N(Cc2ccccc2)C)NC(=O)OCc3ccccc3	90
+CC(C)(C)[Si](C)(C)OCCc1csc(CCOC(=O)C)c1	204
+c1cc(ccc1OCc2ccccc2)-n3c4ccccc4cc3CCO	35
+CC(C)(C)[Si](C)(C)OCCC1=CC(=C=[N-])[N+](=O)C=C1	1269
+CC(C)(C)[Si](C)(C)OCCc1ccc(c(OCc2ccccc2)c1)C=O	139
+CC(C)(C)[Si](C)(C)OCCc1ccc(CC=O)s1	24
+CC(C)(C)[Si](C)(C)OCCc1ccc(c(CO)c1)F	41
+c1cc(ccc1CCO)-c2cc3c(CN(CC3)C(=O)COC(C)=O)cc2	35
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCO	35
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)C(OC(C)C)=O	7653
+c1cc(ccc1C(OC(C)C)=O)CCO	35
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)CC(C)(C)C(=O)OC	1389
+CC(C)(C(=O)OC)Cc1ccc(cc1)CCO	35
+CC(C)(C)[Si](C)(C)OCCc1ccc(c(c1)C=O)F	151
+CC(C)(C)[Si](C)(C)OCCc1ccccc1C(=N)NO	181
+CC(C)(C)[Si](C)(C)OCCc1cccc(C=O)c1F	151
+C(O)Cc1ccnc(C#N)c1	35
+CC(C)(C)[Si](C)(C)OCCc1cc[n+](cc1)[O-]	341
+CC(C)(C)[Si](C)(C)OCCc1ccsc1C(O)c2ccc(cc2)F	7654
+CC(C)(C)[Si](C)(C)OCCc1cnn(-c2nccc(C#N)c2)c1	1706
+c1(nccc(C#N)c1)-n2ncc(CCO)c2	35
+O(C(C)=O)CCc1scc(CCO)c1	35
+o1nc(CCO)cc1-c2cnc(nc2NCCC)Nc3cccc(c3)F	35
+c1cc(ccc1C2CC(=O)NC=C2C(Nc3cc4c(cnn4CCO)cc3C)=O)F	35
+CC(C)(C)[Si](C)(C)OCCn1c2c(cn1)cc(C)c(NC(C3=CNC(CC3c4ccc(cc4)F)=O)=O)c2	4241
+c12c(cc(Cl)cc1)N(C(=O)S2)CC(N(Cc3nc4c(cccc4)n3CCO)C)=O	35
+C1Cc2nn(cc2-c3c1c4c(ncnc4s3)Nc5cc(c(cc5)OCc6ncccc6)Cl)CCO	35
+CC(C)(C)[Si](C)(C)OCCn1ccc2cc(c(cc12)NC(C3=CNC(CC3c4ccc(cc4)F)=O)=O)C	4241
+c12c(ccc(Cl)c1F)c(Sc3cc(ccc3)C(=O)OCC)c(C)n2-c4cn(nc4)CCO	35
+CC(C)(C)[Si](C)(C)OCCn1c2CCCC(O)c2cn1	4242
+CC(C)(C)[Si](C)(C)OCCn1c2cc(c(C)cc2cn1)N	0
+CC(C)(C)[Si](C)(C)OCc1cc(ncc1C)Nc2ncc(C#N)s2	1178
+CC(C)(C)[Si](C)(C)OCc1c(cccc1C=CC(=O)OCC)OC	233
+C1OC(CCC1)OCc2nnc(OC)c(CO)c2	35
+CC(C)(C)[Si](C)(C)OCc1cc(OCOC)cc(C2CCCC2C(=O)c3ccc(cc3)OCOC)c1OCOC	586
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCC(Nc4c(cc(CO)c(OC)c4)Cl)=O)=O)O	35
+CC(C)(C)[Si](C)(C)OCc1c(cncc1O)O	321
+c1ccccc1-c2ncc(CO)c(Nc3[nH]nc(c3)C4CC4)n2	35
+CC(C)(C)[Si](C)(C)OCc1c(nc(-c2ccccc2)nc1)Nc3cc(n[nH]3)C4CC4	345
+CC(C)(C)[Si](C)(C)OCc1c(nnc(CO)c1)OC	398
+CC(C)(C)[Si](C)(C)OCc1c(OC)nnc(c1)COC2CCCCO2	1646
+c1c(CO)c2c(cc1)C(CCN2CC)OCC=C	35
+CC(C)(C)[Si](C)(C)OCc1c2N(CC)CCC(O)c2ccc1	74
+CC(C)(C)[Si](C)(C)OCc1cccc2C(CCN(c12)CC)=C	1707
+CC(C)(C)[Si](C)(C)OCc1c2cccc(C)c2c(c(c1)C=O)OCOC	151
+CC(C)(C)[Si](C)(C)OCc1cccc(-c2cc(N)ccc2F)c1	0
+CC(C)OCc1cc(CO)cc(Br)c1	35
+c1(nc(cc(CO)c1)C#N)C	35
+CC(C)(C)[Si](C)(C)OCC1=CC(=C=[N-])[N+](C(=C1)C)=O	7655
+CC(C)(C)[Si](C)(C)OCc1ccc(C(O)c2cc(ccc2)C)c(c1)C	257
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1Cl)CCNC(C)=O	68
+CCC(NCCc1cc(Cl)c(c(CO)c1)Cl)=O	35
+CC(C)(C)[Si](C)(C)OCc1cc(CCl)cc(Cl)c1	229
+CC(C)(C)[Si](C)(C)OCc1cc(nc(Cl)c1)I	1463
+CC(C)(C)OC(N(C)c1cc(ccn1)CO)=O	35
+CC(C)(C)[Si](C)(C)OCc1cc(N(C(=O)OC(C)(C)C)C)ncc1	4134
+c1c(C)c(c(cc1C)C)NC(Nc2cc(ccc2)CO)=S	35
+c1c(OCC)c(c(cc1CO)OCC)F	35
+CC(C)(C)[Si](C)(C)OCc1c(OCOC)c(C2CCCC2C(N(C)OC)=O)cc(OCOC)c1	4243
+CC(C)(C)[Si](C)(C)OCc1cc(Cl)cc(CO)c1	98
+CC(C)(C)[Si](C)(C)OCc1cc(CCNC(=O)CC)cc(c1Cl)Cl	9
+CC(C)(C)[Si](C)(C)OCc1cc(Br)cc(COC(C)C)c1	149
+C(O)c1c(Cl)ccc(CCNC(C)=O)c1	35
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1N)N2CCOCC2	0
+CC(C)(C)[Si](C)(C)OCc1c(ccc(c1)OC)N	0
+CC(C)(C)[Si](C)(C)OCc1sc(C=O)c(c1)C	968
+n1c(Nc2ncc(C)c(CO)c2)sc(c1)C#N	35
+c12c(c(cc(Cl)c1)F)n(c(CO)c2)CCC(OCC)=O	35
+c12cc(ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(OC)cc4C)CO	35
+c1(cc(ccc1)-n2nc(C(=O)OC)c3cc(ccc23)CO)Br	35
+CC(C)(C)[Si](C)(C)OCc1n(c2c(cc(cc2)C(=O)CC)c1)C	586
+CC(C)(C)[Si](C)(C)OCc1cc2c(cc1)n(nc2C(=O)OC)-c3cc(Br)ccc3	1708
+CC(C)(C)OC(=O)n1c(-c2c(Cl)nc3ccccc3c2)cc4cc(CO)ccc14	35
+CC(C)(C)[Si](C)(C)OCc1cc(c2ncccc2c1)C=O	7656
+n12c(c(C(=O)OC)cn1)cc(cc2)CO	35
+CC(C)(C)[Si](C)(C)OCc1cc2c(c3c(ncc(CCc4c(C)cc(OC)cc4)c3)c(n2)N)cc1	2829
+CC(C)(C)[Si](C)(C)OCC1=CC([N+](=O)C=C1)=C=[N-]	1269
+CC(C)(C)[Si](C)(C)OCc1ccc(c(C(Cl)C(C)(C)C)c1)-c2cc(ccc2F)OC	3899
+CC(C)(C)[Si](C)(C)OCc1ccc(c(c1)N)C(C)(C)C	0
+CC(C)(C)[Si](C)(C)OCc1cc([N+]([O-])=O)c(cc1)C(N)=O	7657
+CC(C)(C)[Si](C)(C)OCc1cc(c(cc1)C)N(C)c2nc(ncc2)Cl	1121
+FC(F)(F)c1nn2c(c1)c(CO)ccc2COC	35
+CC(C)(C)[Si](C)(C)OCc1cnc(NC(=O)Oc2ccccc2)cc1	278
+CC(C)(C)[Si](C)(C)OCc1cc(CC(C)(C)C)c(cc1)-c2cc(ccc2F)OC	4244
+CC(C)(C)[Si](C)(C)OCc1ccc(-c2c(ccc(c2)OC)F)c(C(O)C(C)(C)C)c1	74
+CC(C)(C)[Si](C)(C)OCc1ccc(C(O)=O)c([N+]([O-])=O)c1	1
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C(CC#N)=O	4245
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C(=O)Cl	82
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)OC(=O)Oc2ccc(cc2)[N+]([O-])=O	644
+c1cc(ccc1CO)OP(OCC)(OCC)=O	35
+FC(F)(F)c1cc2c(ccc(n2n1)I)CO	35
+CC(C)(C)c1nn(c(CNC(=O)Nc2ncc(cc2)CO)c1)-c3cc(ccc3)Cl	35
+n1(c2ccc(CO)cc2nc1CN(CCC)C(c3c(F)ccc(F)c3)=O)CCC	35
+CC(C)(C)[Si](C)(C)OCc1cc2c(n(CCC)c(CNCCC)n2)cc1	3430
+C(C)OC(=O)c1cn(-c2cc(CO)ccc2)cn1	35
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)C2(CCOCC2)OC	76
+CC(C)(C)[Si](C)(C)OCc1nc(C=CC(=O)OCC)ccc1	7658
+CC(C)(C)[Si](C)(C)OCc1cccc(n1)CCCN2CCOCC2	15
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)CCC(=O)O	3
+CC(C)(C)[Si](C)(C)OCc1cc(NC(Nc2c(cc(cc2C)C)C)=S)ccc1	773
+O(CC=C)P(OCC=C)(=O)OCc1c(cccc1C)CO	35
+C=CCOP(OCC=C)(OCc1c(Cl)cccc1CO)=O	35
+C1COCCN1CCCc2nc(CO)ccc2	35
+CC(C)(C)[Si](C)(C)OCc1nc2ncc(-c3cccc(-c4c(cccc4)C#N)c3)n2cc1	7659
+CC(C)(C)[Si](C)(C)OCc1cc(C)[n+]([O-])cc1	103
+CC(C)(C)[Si](C)(C)OCc1cc[n+](cc1)[O-]	103
+CC(C)(C)[Si](C)(C)OCc1ccc(nc1)NC(=O)NCc2cc(nn2-c3cc(ccc3)Cl)C(C)(C)C	238
+CC(C)(C)[Si](C)(C)OCc1n(C)c2cc3c(C(O)CCCCC3)cc2c1	374
+CC(C)(C)[Si](C)(C)OCc1n(c2c(cc3C(CCCCc3c2)=O)c1)C	155
+CC(C)(C)[Si](C)(C)OCc1n(c2c(cc3c(CCCCCC3=O)c2)c1)C	155
+FC(F)(F)C(N=S(C)(CCCn1c(cc2cc(Cl)ccc12)CO[Si](C)(C)C(C)(C)C)=O)=O	3972
+CC(C)(C)[Si](C)(C)OCc1n(CCCS(C)=O)c2ccc(cc2c1)Cl	441
+CC(C)(OC)c1cccc(CO)n1	35
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(OCC)=O)n1	1253
+CC(C)(C)[Si](C)(C)OCc1cc(OC)c(C=O)c(n1)Cl	1031
+CC(C)(C)[Si](C)(C)OCc1nc(C(C)(C)OC)ccc1	76
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)NC(=O)Cn2ncc(c2)Oc3c4cc(c(OC)cc4ncn3)OC	142
+CC(C)(C)[Si](C)(C)OCc1sc(C(=N)NO)c(c1)C	7660
+CC(C)(C)[Si](C)(C)OCc1sc(C#N)c(c1)C	7661
+CC(C)(C)[Si](C)(C)Oc1c2c(ccc1Br)ccc(C=O)n2	501
+Cc1cc(cc(C)c1O)C2CC2	186
+C1CC1c2cc(OCC(OC)=O)c(cc2O)C	186
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1)C=O)C2CCCC2	39
+CC(C)(C)[Si](C)(C)Oc1ccccc1CO	41
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1CCC)C=C)CCC	2864
+O=Cc1c(c(ccc1F)O)F	186
+CC(C)(C)[Si](C)(C)Oc1c(c(C=O)ccc1)F	151
+CC(C)(C)[Si](C)(C)Oc1cc(C#N)ccc1N=C=Nc2c(cccc2)Br	4246
+CC(C)(C)[Si](C)(C)Oc1c(S(=O)(=O)N(C)C)c(ccc1N=C=Nc2ccccc2Cl)Cl	4246
+CC(C)OB(OC(C)C)c1cc(C2CCCCC2)c(O[Si](C)(C)C(C)(C)C)cc1	585
+O(c1cc(cc(OC)c1)C(c2ccc(O)c(OC)c2)=CC#N)C	186
+CC(C)(C)[Si](C)(C)Oc1cc(F)c(F)c(C=O)c1OC	151
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1)Oc2c(cc(cc2Cl)N)Cl)C(C)C	0
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1CCC)CCO)CCC	1709
+CCCc1cc(cc(CCC)c1O)CCO	186
+CC(C)(C)[Si](C)(C)Oc1c(CCC)cc(cc1CCC)C=O	39
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1OC)C(C=Cc2cc(c(cc2OC)OC)-c3cc4ccccc4s3)=O)OC	307
+c1(c2ccc(C)nc2c(cc1)O)Br	1710
+c1ccccc1COC(n2c3c(c(ccc3)O)cc2)=O	186
+CC(C)(C)[Si](C)(C)Oc1c(Br)ccc2ccc(nc12)C=NNc3ncccc3	1698
+CC(C)(C)[Si](C)(C)Oc1c2c(ccc1)n(C(OCc3ccccc3)=O)cc2	1825
+c1ccccc1COC(NCCCCc2c3ccccc3c(O)cc2)=O	186
+C(OC(Cn1c2c(cccc2O)cc1)=O)C	1710
+CC(C)(C)[Si](C)(C)Oc1cccc2c1nc(C=NNc3cc(ccn3)C)cc2	1698
+CC(C)(C)[Si](C)(C)Oc1ccc(c(NC(C)c2c(Cl)cc(cc2)Cl)c1)Cl	250
+CC(C)(C)[Si](C)(C)Oc1cccc(C2CC2)c1	365
+c1c(C(=C)c2ccc(OC)c(C)c2)cccc1O	186
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(-c2cccc(CO)c2)c(c1Cl)C	41
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(c1)C)-c2c3CCC(c3c(cc2)F)Oc4ccc5c(c4)OCC5CC(OC)=O	99
+Cc1cc(cc(C)c1-c2c3CCC(c3c(cc2)F)Oc4ccc5c(c4)OCC5CC(OC)=O)O	186
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(C)c1)-c2cc(C(OC)=O)ccc2OC(C)C	11
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(C)c1)-c2nc3n(c(OCCO)ccc3)c2Nc4ccc5OCCOc5c4	1891
+Clc1cccc(C(NCc2cc(c(Cl)cc2)O)C)c1	186
+CC(C)(C)[Si](C)(C)Oc1cc2oc(-c3cn4nc(sc4n3)Br)cc2c(OCc5cc(ccc5)OCc6ccccc6)c1	2865
+c1(cc(Sc2ccnc(c2)Nc3nc(C)cs3)ccc1)O	186
+CC(C)(C)[Si](C)(C)Oc1cc(c(N2C(c3c(C2=O)cccc3)=O)cc1)N	0
+CC(C)(C)[Si](C)(C)Oc1ccc(c(c1)N)NC(=O)c2cccc(C#N)c2	0
+CC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])c(cc1)N2C(=O)c3ccccc3C2=O	668
+CC(C)(C)[Si](C)(C)Oc1cc([N+]([O-])=O)c(NC(=O)c2cccc(C#N)c2)cc1	50
+CC(C)(C)[Si](C)(C)Oc1cc(c(cc1)N2C(=O)c3ccccc3C2=O)NC(C4CCN(CC4)c5ccncc5)=O	33
+CC(C)(C)[Si](C)(C)Oc1cc(cc(F)c1)C=O	146
+CC(C)(C)[Si](C)(C)Oc1cccc(-c2c(N)cccc2)c1	0
+CC(C)(C)[Si](C)(C)Oc1cccc(CN)c1	107
+c1ccc(O)cc1OCC(OC)=O	186
+CC(C)(C)[Si](C)(C)Oc1cc(CNC(c2cc(Cl)ccc2)C)ccc1Cl	370
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1OC)CO	41
+CC(C)(C)[Si](C)(C)Oc1c(ccc(c1)C(O)C)OC	4247
+CC(C)(C)[Si](C)(C)Oc1c(OC)ccc(c1)CCl	109
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)nc(Sc3oc(cc3)C=O)[nH]2	4248
+CC(C)(C)[Si](C)(C)Oc1cc2c(ccn2CC(=O)OCC)cc1	256
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)[nH]cc2Cl	573
+CC(C)(C)OC(n1nc(I)c2cc(O)ccc12)=O	186
+CC(C)(C)[Si](C)(C)Oc1ccc2[nH]nc(I)c2c1	538
+CC(C)(C)[Si](C)(C)Oc1ccc2[nH]nc(I)c2c1	2866
+c1c(O)cc(Br)c2[nH]ccc12	186
+C1N(CC1C(OC)=O)Cc2ccc3cc(ccc3c2)O	186
+C(OC(Cn1c2c(ccc(c2)O)cc1)=O)C	186
+c1(I)c2c(ccc(O)c2)n(n1)C	186
+c1c2c(n(CC(OCC)=O)cc2)ccc1O	186
+CC(C)(C)OC(n1c2c(c(N)n1)ccc(O)c2)=O	186
+CC(C)(C)OC(=O)Cn1c2c(ccc(O)c2)c(Cl)c1	186
+CC(C)(C)[Si](C)(C)Oc1cc2n(C(=O)OC(C)(C)C)nc(c2cc1)N	1131
+c1cc(ccc1)COc2cc(COc3c4cc(oc4cc(c3)O)-c5cn6c(sc(n6)OC)n5)ccc2	186
+CC(C)(C)[Si](C)(C)Oc1cc2oc(-c3cn4c(n3)sc(n4)OC)cc2c(OCc5cc(ccc5)OCc6ccccc6)c1	2867
+CC(C)(CC)c1cc(ccc1O)-c2cc(C=O)ccc2	186
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1C2CCCCC2)B(O)O	579
+c1c(COCOC)c(ccc1O)Br	186
+CC(C)(C)[Si](C)(C)Oc1c(C2CCCC2)cc(CO)cc1	98
+CC(C)(C)[Si](C)(C)Oc1c(cc(C(c2cc(OC)cc(OC)c2)=CC#N)cc1)OC	7662
+c1ccccc1COc2ccc(O)c(C)c2	186
+CC(C)(C)[Si](C)(C)Oc1ccc2c(nc(cn2)-c3ccc(cc3)N(C)C)c1	4249
+c1cc(ccc1C(=O)Nc2c(ccc(O)c2)NC(=O)c3cc(C#N)ccc3)C(C)C	186
+Clc1ccc(C(Nc2c(ccc(O)c2)Cl)C)c(c1)Cl	186
+CC(C)(C)[Si](C)(C)Oc1ccc(c(NC(=O)c2ccc(cc2)C(C)C)c1)NC(c3cc(C#N)ccc3)=O	50
+CC(C)(C)[Si](C)(C)Oc1c2ccccc2c(cc1)CCCCNC(=O)OCc3ccccc3	213
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c2n(C3CCCCC3)c4c(n2)cc(cc4)-c5[nH]nnn5	1711
+C[Si](C)(C)c1nn(-c2ccc(cc2)O[Si](C)(C)C(C)(C)C)c(C(=O)OCC)c1	1158
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C=2CCN(CC=2C(OC)=O)C(OC(C)(C)C)=O	7663
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2(C(c3ccc(cc3)OCOC)(CSc4c2ccc(OCOC)c4)C)O	2157
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C(Cc2ccccc2)=NO	189
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2C(c3ccc(cc3)OCOC)(CSc4cc(ccc24)OCOC)C	4250
+c1cc(ccc1O)C2C(CSc3cc(ccc23)OCOC)(C)c4ccc(cc4)OCOC	186
+CC(C)(C)OC(N1CC(=C(CC1)c2ccc(cc2)O)C(OC)=O)=O	186
+c1cc(ccc1O)CC(OC)C(O)=O	186
+CC(C)(C)OC(=O)N1CCN(CC1)CCc2ccc(cc2)O	186
+C1C(CN1c2ccc(cc2)O)OCCOC3CCCCO3	186
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)OCc2cc([N+]([O-])=O)cc(c2)[N+]([O-])=O	22
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)N	0
+CC(C)(C)[Si](C)(C)Oc1c(F)c(c(cc1)F)C=O	151
+CC(C)(C)[Si](C)(C)Oc1cc2c(n(C)nc2I)cc1	2158
+CC(C)(C)[Si](C)(C)Oc1cc2c(cc1)n(C3OCCCC3)nc2I	580
+CC(C)(C)[Si](C)(C)Oc1ccc2n(C3OCCCC3)nc(c2c1)C=O	178
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(CO)nn2C3OCCCC3	398
+CC(C)(C)[Si](C)(C)Oc1ccc2nc([nH]c2c1)Sc3ccc(C4c5c(NC6=C4C(CCC6)=O)c([nH]c5)C(=O)OCC)o3	2503
+CC(C)(C)[Si](C)(C)Oc1cc2c(n(CC(=O)OCC)cc2)cc1	256
+CC(C)(C)OC(=O)Cn1ccc2ccc(cc12)O	186
+c1cc(ccc1-c2cnc3c(cc(O)cc3)n2)[N+](=O)[O-]	186
+c1cc(ccc1N(C)C)-c2cnc3c(cc(O)cc3)n2	186
+CC(C)(C)OC(=O)Cn1c2cc(O)ccc2c(I)n1	186
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)[nH]c(CO)c2	629
+CC(C)(C)[Si](C)(C)Oc1cc2c(c([nH]n2)I)cc1	538
+C1CCCC(n2c3ccc(O)cc3c(C=O)n2)O1	186
+C=12C(CCCC=1Nc3c([nH]cc3C2c4ccc(Sc5[nH]c6ccc(cc6n5)O)o4)C(=O)OCC)=O	186
+C1CN(CCC1C(=O)OCC)Cc2ccc3c(n2)ccc(c3)O	186
+C1CC1c2cccc(O)c2	186
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)CNC(c2cc(c(O)c(Cl)c2)C)=O	14
+C1CCCN1Cc2cccc(O)c2F	186
+CC(C)(C)[Si](C)(C)Oc1cccc(c1)Nc2c3cc(ccc3ncc2)Br	179
+CC(C)(C)[Si](C)(C)Oc1cccc(Sc2cc(ncc2)Cl)c1	7664
+CC(C)(C)[Si](C)(C)Oc1cc(Sc2cc(Nc3scc(n3)C)ncc2)ccc1	4176
+C1CN(CCO1)c2nc(c3c(n(C(C)CC)c(n3)Br)n2)-c4cccc(c4)O	186
+CC(C)(C)[Si](C)(C)Oc1cccc2ccc(nc12)-c3nnc4cc(C)ccn34	2149
+CC(C)(C)[Si](C)(C)Oc1c2n(CC(OCC)=O)ccc2ccc1	256
+CC(C)(C)[Si](C)(C)Oc1cccc2ccc(nc12)-c3nnc4ccc(cn34)C5CC5	940
+c1c2nnc(n2ccc1)-c3nc4c(cc3)cccc4O	1710
+n1nc(n2ccc(C)cc12)-c3nc4c(cc3)cccc4O	1710
+C1CC1c2cn3c(nnc3cc2)-c4ccc5c(c(ccc5)O)n4	1710
+CC(C)(C)[Si](C)(C)Oc1c(COC(Oc2ccc(cc2)[N+](=O)[O-])=O)cccc1	405
+C1CN(CCO1)c2nc(-c3c4c([nH]cc4)ccc3F)nc5ccc(CN6CC(C6)C7CCOCC7)nc25	4251
+C1C(CN1Cc2ccc3c(c(N4CCOCC4)nc(n3)-c5c(ccc6[nH]ccc56)F)n2)N7CC(NCC7)=O	4251
+CC(C)(C)c1[nH]c2c(cc([N+]([O-])=O)cc2C(OC)=O)c1	342
+CC(C)(C)c1cc2cc(cc(CO)c2[nH]1)[N+]([O-])=O	295
+CC(C)(C)c1c(CCN2C(CCC2)c3ccc(cc3)C=CC(=O)OC)c4ccc([N+]([O-])=O)cc4[nH]1	61
+CC(C)(C)c1[nH]c2cc(ccc2c1CCN3C(CCC3)c4ccc(cc4)C=CC(=O)OC)NS(=O)(=O)C	80
+CC(C)(C)c1c(c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)[nH]1)C	7665
+CC(C)(C)c1n[nH]c(C(N)=O)c1[N+](=O)[O-]	4252
+CC(C)(C)c1ccccc1C2CCNCC2	1413
+CC(C)(C)c1c(c(cc(OCCC)c1C)C(C)(C)C)O	173
+CC(C)(C)c1c(ccc(C#Cc2ccc(cc2)C(OCC)=O)c1)C3(CC3)OCC	129
+CC(C)(C)c1c(cn(n1)CC(Nc2sc3CCCCc3c2C(NCCO)=O)=O)CNCC	7666
+CC(C)(C)c1cc2c(c(C(C)(C)C)c1OC(C)=O)CC(C)(CO)O2	7667
+CC(C)(C)c1[nH]c2cc([N+]([O-])=O)ccc2c1CC=O	571
+CC(C)(C)c1[nH]c2cc(ccc2c1CCN3C(CCC3)c4ccc(cc4)C=CC(=O)OC)N	0
+CC(C)(C)c1c(c(-c2nc3cc(-c4c(cccc4)C(F)(F)F)nc(OCCN(C)C)c3[nH]2)n(n1)C)Cl	61
+FC(F)(F)c1c(-c2cc(c(c(n2)OC)[N+](=O)[O-])NC(=O)c3n(nc(c3Cl)C(C)(C)C)C)cccc1	187
+FC(F)(F)c1ccccc1-c2cc(c(c(N3CCN(CC3)C)n2)[N+](=O)[O-])NC(=O)c4n(nc(C(C)(C)C)c4Cl)C	187
+CC(C)(C)c1nn(C)c(c1Cl)C(Nc2c(c(nc(c2)-c3ccccc3Cl)OC)[N+](=O)[O-])=O	187
+CC(C)(C)c1cc(nnc1Cl)NN	599
+CC(C)(C)c1c(N(C)C)c(Cl)cc(C=O)c1	146
+CC(C)(C)c1c2ncccn2nc1N	7668
+CC(C)(C)c1c(N2CCN(CC2)C(=O)CCC(O)=O)cccc1	4
+CC(C)(C)c1cc([N+]([O-])=O)ccc1N	106
+CC(C)(C)c1c(cc(CCC(CC2CCCCC2)=O)cc1)NC(=O)CC3c4ccccc4Oc5ccccc35	86
+CC(C)(C)c1c(cc(cc1)CCC=O)NC(=O)CC2c3ccccc3Oc4ccccc24	24
+CC(C)(C)c1cc(cc(N)c1O)C(C)=O	0
+CC(C)(C)c1cc(c([N+]([O-])=O)cc1OCc2ccccc2)Br	22
+CC(C)(C)c1c(cc2CC3(CCCCCC3)Oc2c1)O	414
+CC(C)(C)c1c(c(cc(c1)C(O)=O)I)O	1202
+CC(C)(C)c1c(O)c([N+]([O-])=O)cc(c1)C(C)=O	77
+CC(C)(C)c1c(ccc(CC(N(C(=O)C(C(C)C)N(C)C(OCc2ccccc2)=O)C)C(O)=O)c1)O	4
+CC(C)(C)c1cc(O)c(cc1OC(C(C)(C)C)=O)CC=C	423
+CC(C)(C)c1cc(cc(c1OC(=O)C)C)O	173
+CC(C)(C)c1cc(cc(C=Cc2c(C(Cl)=O)cc(cc2)NS(=O)(=O)C)c1OC)N3C(=O)NC(C=C3)=O	82
+CC(C)(C)c1c(c(N)cc(Br)c1)OC	0
+CC(C)(C)c1c(cc(c(-c2c(nccc2)OC)c1)CSC)OC	305
+CC(C)(C)c1c(OC)cc2c(C(=O)C(C2)CC(C)C)c1	7669
+CC(C)(C)c1cccc(C(=C)c2cccc(c2)-c3ccccc3OC)c1OCc4ccccc4	2855
+CC(C)(C)c1cccc(c1OCc2ccccc2)C(c3ccccc3)c4cc(ccc4)-c5c(cccc5)OC	4253
+CC(C)(C)c1c(Oc2ccc(-c3cc(C(O)=O)c(cc3)Cl)cc2NC(Nc4ccc(cc4)C)=O)cccc1	11
+CC(C)(C)c1c(cc(N)c(N)c1)SC#N	0
+CC(C)(C)c1c(Cl)c(-c2nc3c([nH]2)cc(nc3OCC=O)-c4c(C(F)(F)F)cccc4)n(n1)C	24
+CC(C)(C)c1c(c(-c2nc3c([nH]2)c(nc(c3)-c4c(cccc4)C(F)(F)F)OCCO)n(n1)C)Cl	35
+CC(C)(C)c1cc2C(=O)C(Cc2c(-c3ccccc3)c1OCC(C)C)C	11
+CC(C)(C)c1cc(c(C)c(C(C)(C)C)c1OC(=O)C)OC2OCCCC2	385
+CC(C)(C)c1cccc(C(C)c2cccc(-c3c(OC)cccc3)c2)c1O	16
+CC(C)(C)c1c(OCc2ccccc2)c(C(c3ccccc3)(c4cccc(c4)-c5c(cccc5)OC)O)ccc1	7670
+CC(C)(C)c1cc(cc(C=Cc2c(cc(cc2)NS(=O)(=O)C)COC)c1OC)N3C(=O)NC(C=C3)=O	2868
+CC(C)(C)c1c(c(N)c(c(C=O)n1)Cl)F	4254
+CC(C)(C)c1c(c(N2CCN(CC2)CC(=O)OCC)cc(Br)c1)OC	303
+CC(C)(C)c1cc(C(=O)N2c3ccccc3SC2)cc(C#N)c1OC	448
+CC(C)(C)c1cc(cc(c1OC)C#N)C(=O)O	1
+CC(C)(C)c1cc(cc(I)c1O)C(OC)=O	128
+CC(C)(C)c1c(N)cc(C#N)cc1	0
+CC(C)(C)c1c(cc(C#N)cc1)[N+]([O-])=O	274
+CC(C)(C)c1c(cc(O)c(Cl)c1)N	0
+CC(C)(C)c1c(cc(N)cc1)OC	0
+CC(C)(C)c1c(cc(c(c1)-c2cccnc2O)CSC)OC	104
+CC(C)(C)c1c(cc(c(c1)OS(=O)(=O)N(C)C)C)S	1180
+CC(C)(C)c1c(O)cc([N+](=O)[O-])c(Br)c1	4255
+CC(C)(C)c1c(SS(=O)(=O)c2ccc(cc2)C)cc(c(OS(=O)(=O)N(C)C)c1)C	7671
+CC(C)(C)OC(Oc1ccc(C(C)(C)C)c(OCc2ccccc2)c1)=O	22
+CC(C)(C)c1ccc(cc1O)N	0
+CC(C)(C)c1c(cc([N+](=O)[O-])cc1)OC	65
+CC(C)(C)c1c(ccc(c1)C#Cc2ccc(cc2)C(=O)O)C3(CC3)OCC	6
+CC(C)(C)c1c(O)ccc(c1)CC(N(C)C(C(C(C)C)N(C)C(OCc2ccccc2)=O)=O)C(=O)OC	478
+CC(C)(C)c1cc([N+](=O)[O-])cc(c1O)I	694
+CC(C)(C)c1c(N2CCCCC2)ccc(C=O)c1	146
+CC(C)(C)c1cc(C(C#Cc2ccc(cc2)C(=O)O)O)ccc1N3CCCC3	121
+CC(C)(C)c1cc(C(C#Cc2ccc(cc2)C(=O)O)O)ccc1N3CCCCC3	121
+CC(C)(C)c1c(cccc1)NC(=O)C	26
+CC(C)(C)c1ccc(cc1N)[N+]([O-])=O	77
+CC(C)(C)c1c(cccc1)N2CCN(CC2)C(=O)NCC(=O)O	3
+CC(C)(C)c1c(NC(=O)C)ccc(c1)[N+]([O-])=O	77
+CC(C)(C)c1ccccc1OCCNC	352
+CC(C)(C)c1ccccc1Oc2c(N)cccn2	13
+CC(C)(C)c1ccccc1Oc2c(NC(=O)Nc3ccc(cc3)C)cc(cc2)-c4c(cccc4)C(=O)O	124
+CC(C)(C)c1cc(cc2C(C)(C)COc12)N	1599
+CC(C)(C)c1c2ncccn2nc1NC(Cc3ccc(cc3)Cl)=O	142
+CC(C)(C)c1c(nn2c1nccc2)NC(=O)CCc3ccccc3	195
+CC(C)(C)c1cc(-c2cccc(C(C)(C)C)c2)c(NC=O)cc1	753
+CC(C)(C)c1cc(c(O)c(Br)c1)C=O	502
+CC1(C)OB(OC1(C)C)c2ccc(O)c(c2)C(C)(C)C	17
+CC(C)(C)c1cc(cc(c1O)[N+](=O)[O-])Br	77
+CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=N)NO	181
+CC(C)(C)c1[nH]nc(c1)C(=O)NC2CCCN(c3nc(Nc4ccc(cc4)N(CC)CC)c(C(=O)N)cc3)C2	81
+CC(C)(C)c1cc(cc(OC(COC)COC)c1)C(OC)=O	624
+CC(C)(C)c1cc(OCCOC)cc(c1)C(O)=O	1
+CC(C)(C)c1cc(Cl)nc(C)c1	174
+CC(C)(C)c1cc(c(c(C)c1O)CC#N)C	177
+CC(C)(C)c1cc(nc(c1)Cl)CN(C)C	596
+CC(C)(C)c1cc(c(OC)c(CO)c1)NC(=O)OCC(Cl)(Cl)Cl	90
+CC(C)(C)c1cc(c(N)c(Cl)c1)C	4256
+CC(C)(C)c1nn2cc(Br)cnc2c1	7672
+CC(C)(C)c1cc([N+]([O-])=O)c(OC)c(SC)c1	2869
+CC(C)(C)c1nn(-c2ccc(cc2)[N+](=O)[O-])c(c1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	7673
+CC(C)(C)c1cc(N)n(n1)-c2cccc(O)c2	5
+CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c3ccc(cc3)C)n1	278
+CC(C)(C)c1cc(n(n1)-c2ccc(cc2)C(OC)=O)NC(=O)Oc3ccccc3	278
+CC(C)(C)c1cc(N)n(n1)-c2cccc(OCCN(C)C)c2	20
+CC(C)(C)c1nn(c(NC(OCC(Cl)(Cl)Cl)=O)c1)-c2cccc(OCCN(C)C)c2	278
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(=O)Nc3cc(on3)C(C)(C)C	142
+CC(C)(C)c1cc(NC(Nc2cccc(O)c2)=O)no1	7674
+CC(C)(C)c1nn(c(NC(=O)Nc2c(F)cc(Oc3cc(ncc3)C)cc2)c1)-c4ccc(cc4)CO	98
+CC(C)(C)c1cc(n(-c2ccc(cc2)CCO)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	21
+CC(C)(C)c1cc(NC(=O)NC2c3cc(F)ccc3C(Oc4ccc5nnc(C(C)C)n5c4)CC2)n(C)n1	1962
+CC(C)(C)c1ccc([N+](=O)[O-])c(N)c1	630
+CC(C)(C)c1cc(c(s1)CN)NC(=O)Nc2ccc(cc2)C	7675
+CC(C)(C)c1cc(NC(Nc2cc(Oc3c4cc(OC)c(cc4ncn3)OCC)ccc2)=O)no1	185
+CC(C)(C)c1cc(NC(Nc2cccc(Oc3c4cc(c(F)cc4ncn3)F)c2)=O)no1	185
+CC(C)(C)c1cc(cc(N)c1)C#N	78
+CC(C)(C)c1c(c(c(C(C(C)C)O)c(O)c1)C)OC(=O)C	4257
+CC(C)(C)c1c(c(C(C)(C)C)cc(OC)c1CC=C)OC(=O)C	65
+CC(C)(C)c1cc2OC(Cc2cc1OC(=O)C(C)(C)C)C	4258
+CC(C)(C)c1cc(ccc1Cl)OC(Cl)=O	7676
+CC(C)(C)c1cc(OC(C)C)cc(c1)-c2n(nc(-c3ccc(cc3)C(=O)O)c2)-c4ccc(cc4)C(=O)N	1
+CC(C)(C)c1cc(c(cc1)N)OC	0
+CC(C)(C)c1cc(cc(OCCOC)c1)C(C)=O	1024
+CC(C)(C)c1cc([N+]([O-])=O)c(OC)c(c1)Cl	65
+CC(C)(C)c1cc(N)c(OC)c([N+]([O-])=O)c1	0
+CC(C)(C)c1cc(c(C(O)=O)cc1)N	0
+CC(C)(C)c1cc(c(c(c1)S(C)=O)OC)[N+]([O-])=O	2571
+CC(C)(C)c1cc(N)c(c(c1)Cl)OC	0
+CC(C)(C)c1cc(c(c([N+]([O-])=O)c1)OC)CO	41
+CC(C)(C)c1cc(C)[n+]([O-])c(Cl)c1	375
+CC(C)(C)c1cc(c(cc1)CO)Cl	49
+CC(C)(C)c1cc(c(c(C(C)(C)C)c1OC(=O)C)C)O	805
+CC(C)(C)c1c(cc(c(OS(=O)(=O)N(C)C)c1)C)SC#N	4259
+CC(C)(C)c1c(O)c(c(c(C)c1)CC(=O)Cl)C	130
+CC(C)(C)c1ccc(c(C(C)(C)C)c1)CCCl	221
+CC(C)(C)c1cc(C)cc(c1)Cl	480
+CC(C)(C)c1ccc(c([N+]([O-])=O)c1)NCc2ccccc2	608
+CC(C)(C)c1cc(c(O)c(C=O)c1)-c2nccc(n2)C(F)(F)F	7677
+CC(C)(C)c1c(cc(O)c(c1)Cl)[N+]([O-])=O	4255
+CC(C)(C)c1cc(NC(NC2Cc3ccccc3C2)=O)c(OC)c(c1)CO	1962
+CC(C)(C)c1ccc(c(CO)c1)OCc2ccccc2	41
+CC(C)(C)c1c(C)c(OCCC)cc(C(C)(C)C)c1OC(=O)C	8
+CC(C)(C)c1cc(c(CC(=O)O)c(C)c1O)C	1588
+CC(C)(C)c1cc(c(OC)c(N)c1)S(=O)(=O)NC(C)(C)C	0
+CC(C)(C)c1cc(CO)c(OC)c(N)c1	0
+CC(C)(C)c1cc(c(c(N)c1)OC)S(C)=O	0
+CC(C)(C)c1ccc-2c(OP(Oc3c(OC)cc(cc-23)C)OC4CC(C)CCC4C(C)C)c1	7678
+CC(C)(C)c1ccc(C=O)c(Cl)c1	39
+CC(C)(C)c1cc(OC)c(cc1)[N+]([O-])=O	65
+CC(C)(C)c1c(O)cc2C(C3(CCCCCC3)Oc2c1)O	7679
+CC1(C)OB(OC1(C)C)c2cc(cc(C(C)(C)C)c2)O	17
+CC(C)(C)c1cc(cc(O)c1)C(O)=O	2599
+CC(C)(C)c1cc(cc(c1)C#N)C(O)=O	1
+CC(C)(C)c1cc(cc(C(=O)OC)c1)C#N	274
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(n(C)c2CC3CCCCC3)C(=O)OC	819
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(C(=O)N)n(C)c2CC3CCCCC3	247
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(n(C)c2CC3CCCCC3)C(=O)O	1
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)CN2CCOc3ccc(cc23)C=O	507
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)N2CCN(CC2)C(=O)c3sc(C)cc3	867
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C2SCC(=O)N2CCCO	21
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C=Cc2cc(C)c(c(C)c2)-c3c(cncc3C)C	914
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)NC(c2ccc(o2)-c3ccc(cc3)[N+](=O)[O-])=O	768
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)N(C)c2ccc(cc2)C(=O)O	4260
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)N	0
+CC(C)(C)c1cc(cc(C(C)(C)C)c1OC(C)=O)O	5
+CC(C)(C)c1cc(O)c(c(C(C)(C)C)c1OC(=O)C)CC=C	423
+CC(C)(C)c1c(c(C=Cc2ccc(cc2CO)NS(=O)(=O)C)cc(c1)N3C(=O)NC(C=C3)=O)OC	1146
+CC(C)(C)c1cc(cc(n1)Cl)C(=O)O	1
+CC(C)(C)c1c(OCc2ccccc2)c(cc(c1)C(OC)=O)I	22
+CC(C)(C)c1cc(C(=O)OC)cc(O)c1	47
+CC(C)(C)c1cc(C(C#Cc2ccc(cc2)C(=O)O)O)cc(Cl)c1N(C)C	121
+CC(C)(C)c1c(OC)c(cc(c1)Br)[N+](=O)[O-]	65
+CC(C)(C)c1cc(O)c(C=O)c(c1OC(=O)C)C	502
+CC(C)(C)c1c(c(cc(c1)C(=O)Cl)C#N)OC	82
+CC(C)(C)c1nc(cc(c1)C(=O)Nc2ccc(c(-n3ccn4c3cc(-c5cccnc5)n4)c2)C)Cl	67
+CC(C)(C)c1c2OCC(C)(C)c2cc(NC(C)C)c1	231
+CC(C)(C)c1cc(cc2c1OCC2(C)C)-c3noc(C)n3	4261
+CC(C)(C)c1cccc(c1)B(OC)OC	2159
+CC(C)(C)c1cccc(C2=CC(=O)N(N2)c3nc4ccccc4s3)c1	1916
+CC(C)(C)c1cc(O)ccc1Cl	662
+CC(C)(C)c1cc(c(cc1)[N+](=O)[O-])O	31
+CC(C)(C)c1cc(c(cc1)-c2cc(cc(OC)c2O)C)O	7680
+CC(C)(C)c1cccc(OCCCOc2ccc(cc2)C(C#CC)CC(=O)OC)c1	126
+C[Si](C)(C)C#Cc1cc(C(C)(C)C)c(cc1)C2(CC2)OCC	2823
+CC(C)(C)c1c(ccc(OC(=O)N(C)c2ccc(cc2)F)c1)Cl	1199
+CC(C)(C)c1c(ccc(C=O)c1)N2CCCC2	146
+CC(C)(C)c1cc(CC(N(C(C(C(C)C)NC)=O)C)C(=O)N)ccc1O	679
+CC(C)(C)c1c(cc(c(c1)Br)[N+]([O-])=O)OC(OC)=O	77
+CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)Oc3ccncc3)n(-c4ccc(cc4)CC(=O)O)n1	3
+CC(C)(C)c1cc(n(n1)-c2ccccc2)NC(=O)Nc3cc(Oc4c5cc(OC)c(cc5ncn4)OCCOC)ccc3	446
+CC(C)(C)c1cc(n(-c2nc(N(CCN(C)C)C)ncc2)n1)N	117
+CC(C)(C)c1nn(c(NC(Oc2ccccc2)=O)c1)-c3ccnc(N(CCN(C)C)C)n3	278
+CC1(C)CC(CC(C)(C)N1C)Oc2ccc(C(Nc3ccc(cc3)NC(Nc4n(nc(c4)C(C)(C)C)C)=O)=O)nc2	446
+CC(C)(C)c1cc(NC(=O)Nc2c(F)cc(Oc3cc(ncc3)C)cc2)n(-c4ccc(cc4)C(=O)OC)n1	446
+CC(C)(C)c1cc(n(C)n1)NC(=O)Oc2ccccc2	278
+CC(C)(C)c1cc(NC(=O)Nc2cc(ccc2)C#Cc3cnc(nc3)Cl)n(C)n1	7681
+CC(C)(C)c1cc([n+](cc1)[O-])C	341
+CC(C)(C)c1n(C)nc(NC(C(P(OC)(OC)=O)OC)=O)c1	195
+CC(C)(C)c1c(nn2c(-c3c(c(F)ccc3F)F)nnc2c1)Cl	7682
+CC(C)(C)c1cc(NC(=O)Nc2cc(ccc2)Sc3ncnc4cc(c(OC)cc34)OCCOC)no1	1124
+CC(C)(C)c1c(c(c2c(C=C(C2)C)c1)-c3ccccc3)OCC(C)C	4262
+CC(C)(C)c1cc2C=NN(Cc3c(CO)cc(-c4ccnc(O)c4)cc3)C(=O)c2c(F)c1	104
+CC(C)(C)c1cc(c2C(N(N=Cc2c1)c3nccc(C4=CN(C)C(C(Nc5cc6n(CCOC6)n5)=C4)=O)c3CO)=O)F	269
+CC(C)(C)c1cc(c2C(N(N=Cc2c1)c3c(CO)c(ccn3)C4=CN(C)C(=O)C(Nc5ncc(s5)C)=C4)=O)F	269
+CC(C)(C)c1c(cc2c(c1)OC(C)C2)O	7683
+CC(C)(C)c1c(c(CC(C)C)c2c(OC3(CCCCCC3)C2)c1)O	2616
+CC(C)(C)c1cc2OC3(CCCCCC3)Cc2c(c1O)CC(=C)C	1625
+CC(C)(C)c1ccc2C(CCOc2c1)=NOC	189
+CC(C)(C)c1ccc2N(CC3(CCN(CC3)C(=O)OCc4ccccc4)c2c1)C(=O)c5c(F)cccc5F	448
+CC(C)(C)c1[nH]c2c(cc([N+](=O)[O-])cc2C(=O)O)c1	2160
+CC(C)(C)c1c2c(cc(c1O)C(C)(C)C)OC(C)(CO)C2	173
+CC(C)(C)c1cc2C=NN(c3c(CO)c(Cl)ccn3)C(c2c(F)c1)=O	269
+CC(C)(C)c1cc2C=NN(c3c(c(C4=CN(C(C(Nc5cc6n(CCOC6)n5)=C4)=O)C)ccn3)C=O)C(=O)c2c(F)c1	2870
+CC(C)(C)c1cc2C=NN(c3nccc(c3C=O)C4=CN(C(C(Nc5ncc(s5)C)=C4)=O)C)C(=O)c2c(F)c1	2870
+CC(C)(C)c1cc2c(c(F)c1)C(N(Cc3cc(c(-c4ccnc(O)c4)cc3F)CO)N=C2)=O	104
+CC(C)(C)c1cc2C=NN(Cc3ccc(cc3CO)-c4cc(OC)ncc4)C(=O)c2c(F)c1	498
+CC(C)(C)c1cc2c(c(F)c1)C(N(Cc3cc(c(-c4cc(ncc4)OC)cc3F)CO)N=C2)=O	498
+CC(C)(C)c1cc2c(c(F)c1)C(=O)N(N=C2)c3c(C=O)c(Cl)ccn3	7684
+CC(C)(C)c1cc2c(c(F)c1)C(N(Cc3ccc(cc3CO)Br)N=C2)=O	3288
+CC(C)(C)c1cc2nc(oc2cc1)N3CCN(CCC3)C(N4CCS(CC4)(=O)=O)=O	776
+CC(C)(C)c1cc2cc(ncc2n1CCO)NC(C3(CC3)c4ccc5OC(F)(F)Oc5c4)=O	142
+CC(C)(C)c1cc2cc(ncc2[nH]1)N	664
+CC(C)(C)c1[nH]c2c(cc(cc2CO)N)c1	0
+CC(C)(C)c1cc2c(cc(C(=O)O)cc2)cc1	1
+CC(C)(C)c1cc2ccc3c(-c4ccccc4)ccc5ccc(c1)c2c35	11
+CC(C)(C)c1cc2ccc3ccc(-c4ccc(cc4)Cl)c5ccc(c1)c2c35	11
+CC(C)(C)c1nn2c(nc(C)c(CC(OC)=O)c2Cl)c1	4263
+CC(C)(C)c1cc2nc(C)c(C(C(=O)O)CCC)c(-c3cc4c(cc3)cccc4)n2n1	4
+CC(C)(C)c1cc(c(C(O)=O)cc1)Cl	1
+CC(C)(C)c1c(cc(CO)cc1)[N+]([O-])=O	49
+CC(C)(C)c1c(cc(C(=O)N)cc1)[N+]([O-])=O	169
+CC(C)(C)c1cc(c(CC(=O)C(OCC)=O)cc1)[N+](=O)[O-]	2161
+CC(C)(C)c1cc([N+](=O)[O-])c(cc1)C(O)=O	820
+CC(C)(C)c1sc(C2C(C2)C(=O)O)cc1	3
+CC(C)(C)c1oc(C2C(C(N3CC(C)OC(C3)C)=O)C2)cc1	58
+CC(C)(C)c1ccc(C2C(C(=O)OCC)C2)s1	4264
+CC(C)(C)c1ccc(c(c1)OC)CCN(C)C	15
+CC(C)(C)c1ccc(c(OC)c1)CC(=O)Cl	4265
+CC(C)(C)c1c(SC#N)cc(c(c1)N)[N+]([O-])=O	2871
+CC(C)(C)c1cc(SC(F)(F)F)c(N)cc1	0
+CC(C)(C)c1cc(-c2cccc(C(C)(C)C)c2)c(cc1)N	11
+CC(C)(C)c1cc(c(OCc2ccccc2)cc1)CCl	229
+CC(C)(C)c1cc(c(OC(OC)=O)cc1[N+](=O)[O-])Cl	77
+CC(C)(C)c1cc2NC(Oc2cc1)=S	2872
+CC(C)(C)c1ccc2oc(-c3cc(C(=O)OC)cc([N+](=O)[O-])c3)nc2c1	2453
+CC(C)(C)c1ccc(CC(=O)N(C)C)c(c1)OC	58
+CC(C)(C)c1ccc(c(c1)Oc2scc(C(=O)Nc3c(nc(nc3OC)NCCC(=O)OCC)OC)n2)C	4266
+CC(C)(C)c1ccc(c(c1)Oc2scc(C(=O)Nc3c(OC)nc(nc3OC)NCCS(=O)(=O)NC(C)C)n2)C	4266
+CC(C)(C)c1cc(S(=O)(=O)Cl)c(c([N+](=O)[O-])c1)OC	77
+CC(C)(C)c1cc(c(N)cc1)[N+]([O-])=O	106
+CC(C)(C)c1cc(c(OCc2ccccc2)cc1)C=O	139
+CC(C)(C)c1cc(c(CCN(C)C)cc1)O	5
+CC(C)(C)c1ccc(c(c1)Oc2scc(C(=O)Nc3c(OC)nc(nc3OC)NCCC(=O)O)n2)C	3
+CC(C)(C)c1ccc(cc1)-c2c(C(Nc3cc4ncc(cc4cc3)C(O)=O)=O)cccc2	6
+CC(C)(C)c1ccc(cc1)-c2c(c(cs2)CO)OCOC	4267
+CC(C)(C)c1ccc(cc1)-c2scc(C=O)c2OCOC	2873
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(CC(C)C)c3ccc(cc3)C(OC)=O)C	20
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(CC(C)C)c3ccc(cc3)C(=O)O)C	1
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(C)c3sc(cc3)C(O)=O)C	6
+CC(C)(C)c1ccc(cc1)-c2cc(cc3C(C)(C)CCC(C)(C)c23)C(=O)C=Cc4ccc(cc4)C(=O)O	307
+CC(C)(C)c1ccc(cc1)-c2cc(cc(C(O)=O)c2)Nc3c4ccc(cc4ncc3C(=O)N)-c5c(nc(nc5)OC)OC	179
+CC(C)(C)c1ccc(cc1)-c2cccc(C3C(C)(C)Cc4cc(Cl)cc(C(NS(=O)(=O)C5CC5)=O)c4N3)c2	258
+CC(C)(C)c1ccc(cc1)-c2cccc(C3C(C)(C)Cc4c(c(cc(Cl)c4)C(O)=O)N3)c2	1
+CC(C)(C)c1ccc(cc1)-c2n(C)nc(C(=NNC(c3ccc(c(c3)O)C(=O)O)=O)C)c2O	1
+CC(C)(C)c1ccc(cc1)-c2n(C)nc(C(=NNC(c3ccc(C(=O)OC)c(c3)O)=O)C)c2O	2398
+CC(C)(C)c1ccc(cc1)-c2scc(C(=O)C)c2OCOC	7685
+CC(C)(C)c1ccc(cc1)-c2scc(C(C)O)c2OCOC	7686
+CC(C)(C)c1ccc(cc1)-c2cccc(C3Nc4c(CC3(C)C)cc(cc4C(OC)=O)Cl)c2	11
+CC(C)(C)c1ccc(cc1)-c2c3c(cc(C(C)=O)c2)C(C)(C)CCC3(C)C	368
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)O)C	11
+CC(C)(C)c1ccc(cc1)-c2cc(cc(N)c2)C(=O)O	11
+CC(C)(C)c1ccc(cc1)-c2c(C(Nc3ccc4c(c3)ncc(c4)C(OCC)=O)=O)cccc2	11
+CC(C)(C)c1ccc(C)c(c1)[N+]([O-])=O	31
+CC(C)(C)c1ccc(cc1)-c2n(C)nc(C(=O)C)c2O	4268
+CC(C)(C)c1ccc2c(c1)CCC2=O	7687
+CC1(C)OB(OC1(C)C)c2cccc(c2C)NC(=O)c3ccc(cc3)C(C)(C)C	50
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(ccc2C(=O)OC)[N+]([O-])=O	50
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(-c3nc(c4n(c3)ccn4)Nc5cc6[nH]cnc6cc5)ccc2	50
+CC(C)(C)c1ccc(cc1)C(=O)Nc2c(cccc2)C(OC)=O	50
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(ccc2)-c3cn4c(ncc4)c(Nc5ccccc5)n3	50
+CC(C)(C)c1ccc(cc1)C2=Nc3c(cccc3)C(=O)O2	4269
+CC(C)(C)c1ccc(cc1)C(=O)Nc2c(cccc2)C(O)=O	1
+CC(C)(C)c1ccc(cc1)C(=O)Nc2c(C(OC)=O)ccc(N)c2	0
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2C)C3=CN(C(=O)C(=C3)Nc4ccc(cc4)C(=O)O)C	6
+CC(C)(C)c1ccc(cc1)C(CCCN2CCN(CC2)c3cc(F)c(cc3F)O)=O	5
+CC(C)(C)c1ccc(cc1)C2=Cn3c(cc(C(=O)OCC)n3)C(=O)N2	4270
+CC(C)(C)c1ccc(cc1)C(Nc2c(c(ccc2)C=3N=C(C(N(C=3)C)=O)Nc4ccc(cc4)CCOS(=O)(=O)C)C)=O	7
+CC(C)(C)c1ccc(cc1)C2=C(C(=O)N(c3ccc(cc3)C#N)N2C)C(=O)Cl	7688
+CC(C)(C)c1ccc(cc1)C=2NC(=O)c3ccnn3C=2	7689
+CC(C)(C)c1ccc(cc1)C2=Cn3c(cc(C(=O)O)n3)C(=O)N2	6
+CC(C)(C)c1ccc(cc1)C2=C(C(=O)O)C(N(N2C)c3ccc(cc3)C#N)=O	108
+CC(C)(C)c1ccc(cc1)CC(CN2CCCCC2)C	1028
+CC(C)(C)c1ccc(cc1)C=C(CO)C	2874
+CC(C)(C)c1ccc(cc1)C=CC(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O	3
+CC(C)(C)c1ccc(cc1)C=CC(c2c(cc(OCC=C(C)C)cc2)OCC(OCC)=O)=O	52
+CC(C)(C)c1ccc(cc1)C=CC(c2ccc(cc2O)OCC=C(C)C)=O	307
+CC(C)(C)c1ccc(cc1)C=C(C=O)C	1103
+CC(C)(C)c1ccc(cc1)CNCCN(CC)c2cc(C)ccc2	42
+CC(C)(C)c1ccc(cc1)C2C(C(=O)c3ccc(cc3)OCC(=O)O)=C(O)C(=O)N2c4nnc(C)s4	7690
+CC(C)(C)c1ccc(cc1)COc2ccccc2C=CC(CCc3ccc(cc3)C#N)CCCCC(OCC)=O	22
+CC(C)(C)c1ccc(cc1)CN2C(N(C(=N2)CC3CC3c4ccc(cc4)Br)CC)=O	1712
+CC(C)(C)c1ccc(cc1)COc2c(C=CC(Cc3ccc(cc3)C(=O)OC)CCCCC#N)cccc2	22
+CC(C)(C)c1ccc(cc1)CC(c2ccc(cc2)Cl)=O	7691
+CC(C)(C)C1CCC(CC1)CC(CN2CCCCC2)C	7692
+CC(C)(C)c1ccc(cc1)CC(c2ccc(cc2)Cl)=NN	1713
+CC(C)(C)c1ccc(cc1)COc2ccc(cc2C(CC)=O)[N+](=O)[O-]	139
+CC(C)(C)c1ccc(cc1)CNC(=O)C(C)c2cc(N)c(cc2)N	9
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(C)C(CCCc3ccc(OC(C)(C)C(OC)=O)c(c3)C)C2	27
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(C)C(CCCc3cc(C)c(OC(C)(C)C(=O)O)cc3)C2	3
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(Cc3ccc(cc3)N)CCC2	0
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(CCC2)Cc3ccc(cc3)NS(=O)(=O)C	80
+CC(C)(C)c1ccc(cc1)CN2C(=O)C(C(NCC(=O)O)=O)C(N(C3CCCCC3)C2=O)=O	3
+CC(C)(C)c1ccc(cc1)CN2c3ccccc3N(Cc4ccc(cc4)[N+]([O-])=O)C2=O	1939
+CC(C)(C)c1ccc(cc1)CN2c3c(N(Cc4ccc(cc4)NS(=O)(=O)C)C2=O)cccc3	80
+CC(C)(C)c1ccc(cc1)CN2c3ccccc3N(Cc4ccc(cc4)N)C2=O	0
+CC(C)(C)c1ccc(cc1)CNC(C(C)c2cc3[nH]nnc3cc2)=O	1714
+CC(C)(C)c1ccc(cc1)CNC(=O)c2cc3cc(OCc4ccccc4)cnc3nc2C	7693
+CC(C)(C)c1ccc(cc1)CNC(=O)c2cc3c(ncc(O)c3)nc2C	321
+CC(C)(C)c1ccc(cc1)CNC(=O)c2cc3c(nc2C)ncc(c3)I	7694
+CC(C)(C)c1ccc(cc1)CN(C(=O)c2c3[nH]ccc3cc(Cl)c2)CCN(CC)c4cccc(C)c4	211
+CC(C)(C)c1ccc(cc1)COc2cccc(c2)C(=O)Nc3c(S(=O)(=O)N)cccc3	67
+CC(C)(C)c1ccc(cc1)COc2c(C(CC)=O)cc(NC(=O)Nc3cc(OC)ccc3)cc2	124
+CC(C)(C)c1ccc(cc1)COc2ccc(N)cc2C(CC)=O	0
+CC(C)(C)c1ccc(cc1)COc2ccccc2C=CC(CCc3ccc(cc3)-c4[nH]nnn4)CCCCC(OCC)=O	2162
+CC(C)(C)N1N=CC(SCc2ccc(cc2)C(C)(C)C)=C(COS(=O)(=O)c3ccc(cc3)C)C1=O	7695
+CC(C)(C)c1ccc(cc1)Cn2c(cc3c2ccc(OC)c3)COC(C)=O	204
+CC(C)(C)c1ccc(cc1)Cn2c(CO)cc3cc(ccc23)OC	194
+CC(C)(C)c1ccc(cc1)Nc2ncnc3c2CCN(CC3)c4c(C(F)(F)F)cccn4	73
+CC(C)(C)c1ccc(cc1)Nc2nc(N)nc(c2)Cl	73
+CC(C)(C)c1ccc(cc1)NC(=O)c2cccc(-c3nc(Nc4ccc(cc4)C(N5CCOCC5)=O)c6n(c3)ccn6)c2	67
+CC(C)(C)c1ccc(cc1)N2CCC(O)=C(C2=O)C#N	4223
+CC(C)(C)c1ccc(cc1)N2CCC(OC)=C(C#N)C2=O	7696
+CC(C)(C)c1ccc(cc1)NC(=O)NC(CC)CC(OC)=O	282
+CC(C)(C)c1ccc(cc1)NC(=O)NCCC(=O)OCC	282
+CC(C)(C)c1ccc(c([N+]([O-])=O)c1)NC(C)=O	31
+CC(C)(C)c1ccc(cc1)NC(=O)NC(CCO)CC	95
+CC(C)(C)c1ccc(cc1)NC(NC(CC)CC=O)=O	24
+CC(C)(C)c1ccc(cc1)NC(NCCC(O)=O)=O	3
+CC(C)(C)c1ccc(cc1)NC(=O)NCCCOS(=O)(=O)C	7
+CC(C)(C)c1ccc(cc1)NC(=O)NC(CC)CCN(CC2C3OC(C)(C)OC3C(n4cnc5c(N)ncnc45)O2)C	61
+CC(C)(C)c1ccc(cc1)NC(NCCC(=O)N(CC)CC2C(C(O)C(n3cnc4c3ncnc4N)O2)O)=O	265
+CC(C)(C)c1ccc(cc1)NC(NCCC(N(CC2OC(C3C2OC(C)(C)O3)n4c5ncnc(c5nc4)N)CC)=O)=O	10
+CC(C)(C)c1ccc(cc1)N(CCC(OCC)=O)C(=O)CC#N	429
+CC(C)(C)c1ccc(cc1)NCc2cc(c(cc2)NC(=O)OCC)N	0
+CC(C)(C)c1ccc(cc1)Nc2c3CCN(c4ncccc4Cl)Cc3nc(CN5CCOCC5)n2	43
+CC(C)(C)c1ccc(cc1)Nc2c3CCNCc3nc(n2)CN4CCOCC4	25
+CC(C)(C)c1ccc(cc1)Nc2nc(N)nc(c2)OCc3ccccc3C(F)(F)F	145
+CC(C)(C)c1ccc(O)c(Cl)c1	7697
+CC(C)(C)c1ccc(cc1)Oc2c3ccccc3n(Cc4cc(OCCOC)cc(c4)OCCOC)c2C(OCC)=O	962
+CC(C)(C)c1ccc(cc1)Oc2c(n(c3ccccc23)Cc4cc(OCCOC)cc(c4)OCCOC)C(=O)O	6
+CC(C)(C)c1ccc(cc1)S(=O)(=O)NCC(C)(C)c2c3ccccc3[nH]c2	71
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(c3cnccc3)=O)Cl	69
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc3ncccc3c2	69
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C)C(C)C=2N(c3ccc(cc3)OC)C(c4ccccc4N=2)=O	92
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2nc(Cl)nc(c2Oc3c(cccc3)OC)Cl	570
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C)C(C=2N(c3ccc(cc3)O)C(c4ccccc4N=2)=O)C	5
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C)C(C=2N(c3ccc(cc3)OCc4ccccc4)C(c5ccccc5N=2)=O)C	20
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(c2cc3c(cc2)nccc3)CC(O)=O	32
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(c2cc3c(nccc3)cc2)CC(N(Cc4nc(ccc4)C)CC)=O	10
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CC(N(Cc2nc(ccc2)C)CC)=O)c3ccc(N)nc3	10
+CC(C)(C)c1ccc(cc1)C(c2cc(-c3cc(ccc3)S(=O)(=O)NC4CC4)cnc2N)=O	7698
+CC(C)(C)c1c(cc(cc1)[N+](=O)[O-])O	4271
+CC(C)(C)c1c(cc(cc1)[N+](=O)[O-])O	606
+CC(C)(C)c1c(NC(=O)CC2c3ccccc3Oc4ccccc24)cc(cc1)CCCO	44
+CC(C)(C)c1c(OCc2ccccc2)cc(OCC(OCC)=O)cc1	52
+CC(C)(C)c1ccc2C(CCOc2c1)N	2526
+CC(C)(C)c1ccc2C(CCOc2c1)NC(Nc3c4cc(C)ncc4ccc3)=O	282
+CC(C)(C)c1cc2OCCC(=O)c2cc1	155
+CC(C)(C)c1cc2C3(CCNCC3)CN(C(=O)c4c(F)cccc4F)c2cc1	62
+CC(C)(C)c1ccc2c(ncc(c2Cl)C(=O)OCC)c1	120
+CC(C)(C)c1cc2CC(=NO)C(=O)c2cc1	3659
+CC(C)(C)c1ccc2c(nc(o2)-c3cc(cc(c3)CO)[N+](=O)[O-])c1	49
+CC(C)(C)c1ccc2c(nc(-c3cc(cc(COc4cccc(c4)Cl)c3)[N+](=O)[O-])o2)c1	20
+CC(C)(C)c1ccc2cc(C(OCC)=O)cnc2c1	4272
+CC(C)(C)c1cc2ccc(C(OC)=O)cc2cc1	833
+CC(C)(C)c1cc2c(cc(cn2)C(O)=O)cc1	6
+CC(C)(C)c1ccc2c(c1)nc(-c3cc(cc(c3)[N+]([O-])=O)C(=O)O)o2	1
+CC(C)(C)c1cccc(c1)B(O)O	493
+CC(C)(C)c1c(c(C(c2cccc(-c3c(OC)cccc3)c2)C)ccc1)OCc4ccccc4	4273
+CC(C)(C)c1c(OCc2ccccc2)c(C(C)(c3cccc(-c4c(cccc4)OC)c3)O)ccc1	2157
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)[N+]([O-])=O	77
+CC(C)(C)c1cccc(c1)C=2C(=CN(C)C)C(=O)N(c3sc4c(cccc4)n3)N=2	2163
+CC(C)(C)c1cccc(CN2C(=O)OC3C(CS(=O)(=O)CC23)Cc4cc(c(NC(CNCC)=O)c(F)c4)CC)c1	402
+CC(C)(C)c1cc(CNC2CS(=O)(=O)CC(C2O)Cc3cc(c(c(F)c3)NC(CNCC)=O)CC)ccc1	2875
+CC(C)(C)c1cccc(Nc2cc(nnc2C(=O)N)Cl)n1	1134
+CC(C)(C)c1cccc(OCCCOc2ccc(cc2)C(CC(O)=O)C#CC)c1	4
+CC(C)(C)c1cccc(B(O)OC)c1	493
+CC(C)(C)c1cccc(C2=NN(C(C2=CN)=O)c3sc4c(cccc4)n3)c1	2876
+CC(C)(C)c1cccc(c1O)C(c2cccc(-c3c(OC)cccc3)c2)c4ccccc4	16
+CC(C)(C)c1c(-c2ccncc2)cccc1	498
+CC(C)(C)c1ccccc1CCOS(=O)(=O)c2ccc(cc2)C	36
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4c(C(C)(C)C)cccc4)O	236
+CC(C)(C)c1c(O)ccc(C(C)=O)c1	94
+CC(C)(C)c1c(ccc([N+]([O-])=O)c1)O	77
+CC(C)(C)c1c(cccc1)Oc2c([N+](=O)[O-])cccn2	136
+CC(C)(C)c1ccccc1Oc2c(cc(Br)cc2)[N+]([O-])=O	46
+CC(C)(C)c1ccccc1OCCN(C(=O)Nc2c(cccc2)C(O)=O)C	1
+CC(C)(C)c1ccccc1OCCN(C(=O)Nc2ccccc2C(OC)=O)C	326
+CC(C)(C)c1c(cccc1)Oc2c(cc(-c3c(cccc3)C(O)=O)cc2)N	11
+CC(C)(C)c1c(Oc2c(NC(Nc3ccc(cc3)C)=O)cc(cc2)Br)cccc1	124
+CC(C)(C)c1ccccc1Oc2c(ccc(Cl)n2)N	7699
+CC(C)(C)c1ccccc1Oc2c(N)cc(Br)cc2	0
+CC(C)(C)c1cc(-n2c3c(ccc(c3)Oc4cccc(-n5c6ccccc6cn5)c4)c7ccccc27)ncc1	4043
+CC(C)(C)c1cc(ncc1)C	7700
+CC(C)(C)c1nc(NC(=O)c2c(O)ccc(Br)c2)sc1	173
+CC(C)(C)c1cc2c(n1CCO)cnc(N)c2	664
+CC(C)(C)c1nc2cc(N(S(=O)(=O)c3cccc([N+]([O-])=O)c3)C)ccc2n1CC4CCCCC4	416
+CC(C)(C)c1nc2cc(ccc2n1CC3CCOCC3)NCC	621
+CC(C)(C)c1nc2cc(ccc2n1CC3CCC(F)(F)CC3)N	106
+CC(C)(C)c1n2c(c(-c3cc4c(cc3)ccc(-c5ccccc5)n4)n1)c(ncc2)N	522
+CC(C)(C)c1c(N)c([nH]n1)C(N)=O	209
+CC(C)(C)c1c(C=O)cn(n1)CC(=O)Nc2sc3CCCCc3c2C(NCCO)=O	1460
+CC(C)(C)c1nc(-c2oc3c(c2)cc(cc3)CCC(OCC)=O)sc1	159
+CC(C)(C)c1nc(-c2oc3c(cc(cc3)CSc4ccccc4C(O)=O)c2)sc1	2722
+CC(C)(C)c1nc(-c2oc3c(c2)cc(Cn4cc(c5c4ccc(c5)O)C#N)cc3)sc1	16
+CC(C)(C)c1nc(-c2oc3c(c2)cc(Cn4cc(c5cc(OC)ccc45)C#N)cc3)sc1	65
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)CCCO)sc1	44
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)CCCn4cc(c5c4cc(C)cc5)C#N)sc1	1277
+CC(C)(C)c1nc(-c2oc3ccc(CSc4ccccc4CO)cc3c2)sc1	49
+CC(C)(C)c1nc(-c2cc3cc(ccc3o2)CCl)sc1	229
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)CSc4c(CCl)cccc4)sc1	2164
+CC(C)(C)c1nc(-c2oc3ccc(CO)cc3c2)sc1	41
+CC(C)(C)c1nc(-c2oc3c(cc(cc3)CCCCl)c2)sc1	723
+CC(C)(C)c1nc(C2CC2)cc(Cl)n1	64
+CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCCN)C3CCC3	45
+CC(C)(C)c1csc(n1)NC(=O)c2cc(ccc2OC(C)=O)Br	900
+CC(C)(C)c1nc(N2CCC(C2)O)c3c[nH]nc3n1	4274
+CC(C)(C)c1nc2c(cnn2Cc3ccc(cc3)OC)c(Cl)n1	1203
+CC(C)(C)c1sc(-c2nc(N)ncc2)c(-c3cccc(NS(=O)(=O)c4cocc4)c3F)n1	4108
+CC(C)(C)c1sc(c(-c2c(c(N)ccc2)F)n1)-c3nc(ncc3)Cl	2087
+CC(C)(C)c1nc2c(cc(I)cc2)c(Cl)n1	64
+CC(C)(C)c1nc(cc(C2CC2)n1)N3CCN(CC3)CCCSc4ncccn4	3294
+CC(C)(C)c1nc(C2CCC2)cc(Cl)n1	64
+CC(C)(C)c1cc(cc(C#N)n1)C(Nc2cc(-n3c4n(nc(c4)-c5cccnc5)cc3)c(C)cc2)=O	577
+CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCCNC(=O)c3cnccc3)C4CCC4	56
+CC(C)(C)c1nc(C2CCC2)cc(n1)N3CCN(CC3)CCCCN4C(c5c(C4=O)cccc5)=O	28
+CC(C)(C)c1cccc(Nc2c(nnc(c2)Cl)C(=O)OC)n1	845
+CC(C)(C)c1occ(CC#N)n1	4275
+CC(C)(C)c1c(cnc(n1)N2CCOCC2)C(=O)O	6
+CC(C)(C)c1nc(-c2cc(c(cn2)C3CC3)OC(C)C(F)(F)F)on1	260
+CC(C)(C)c1nc(sc1)-c2cc3c(o2)ccc(c3)OCc4c(OC(C(=N)NO)CCC)cccc4	409
+CC(C)(C)c1nc(sc1)-c2cc3c(o2)ccc(c3)OCc4ccccc4OC(CCC)C#N	143
+CC(C)(C)c1nc(sc1)-c2cc3c(o2)ccc(c3)OCc4ccccc4OC(CCC)C(=O)N	83
+O=S(=O)(N(OC)C)c1c(c(N)ccc1Cl)O	7701
+CC(C)(C)c1sc2c(cc(c(N)c2)N3CCN(CC3)C)n1	0
+CC(C)(C)c1nc2cc(N(C)S(=O)(=O)c3cccc(c3)N)ccc2n1CC4CCCCC4	0
+CC(C)(C)c1sc2c(cc(N3CCC(CC3)C)c(N)c2)n1	0
+CC(C)(C)c1nc2cc(N3CC(C)CCC3)c(N=C=S)cc2s1	333
+CC(C)(C)c1n(c2c(n1)cc(cc2)NC)CC3CCCCC3	2062
+CC(C)(C)c1n(CC2CCC(F)(F)CC2)c3c(n1)cc(cc3)NS(=O)(=O)CC	80
+CC(C)(C)c1n(c2c(n1)cc(N(S(=O)(=O)c3ccc(cc3)NC(=O)N)CC)cc2)CC4CCOCC4	416
+CC(C)(C)c1nccn1S(=O)(=O)N(C)C	2752
+CC(C)(C)c1nccc(-c2scc(c2)-c3c(Cl)cc(NS(=O)(=O)C)cc3)c1	1402
+CC(C)(C)c1n(c(C=O)cn1)S(=O)(=O)N(C)C	7702
+CC(C)(C)c1nn(c(CNC(=O)Nc2ccc(C(CO)CO)c(c2)F)c1)-c3cc(ccc3)Cl	238
+CC(C)(C)c1nn(-c2ccc(cc2)C)c(NC(=O)NCc3cc(F)ccc3Oc4ccnc(n4)Cl)c1	185
+CC(C)(C)c1nn(c(c1)NC(=O)Oc2ccccc2)-c3ccc(cc3)CC(OCC)=O	278
+CC(C)(C)c1cc(n(n1)-c2ccc(cc2)NC(=O)CC(C)(C)C(=O)O)NC(=O)Nc3ccc(cc3)Oc4ccncc4	1979
+CC(C)(C)c1nn(-c2ccc(cc2)N)c(NC(=O)Nc3ccc(cc3)Oc4ccncc4)c1	0
+CC(C)(C)c1cc(n(-c2ccccc2)n1)NC(=O)Oc3ccccc3	278
+CC(C)(C)c1nn(c(NC(C2CC(=O)c3cc(-n4c5ncccc5nc4)ccc23)=O)c1)-c6ccccc6	142
+CC(C)(C)c1c(Cl)c(-c2nc3c(cc(nc3OC)-c4ccccc4Cl)[nH]2)n(n1)C	4276
+CC(C)(C)c1nn(c(C(=O)NC2C(=O)N(C3C(CS(=O)(=O)C(C)C)CC(CC3)N(C(C)C)C)CC2)c1)C	712
+CC(C)(C)c1c(Cl)c(n(C)n1)C(O)=O	6
+CC(C)(C)c1cc(n(-c2ccc(cc2)CC(OCC)=O)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	446
+CC(C)(C)c1cc2nc(C)c(c(-c3cc4ccccc4cc3)n2n1)C(CCC)C(OC)=O	2057
+CC(C)(C)c1nn2c(c(c(nc2c1)C)C(C(=O)OC)CCC)Cl	2877
+CC(C)(C)c1cc2ncc(C#Cc3ccccc3)cn2n1	1472
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(n3)C4CCNCC4)n2)o1	2
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(C4CCN(CC4)C(C(CO)C)=O)n3)n2)o1	10
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(n3)C4CCN(CC4)C(=O)CC(C)O)n2)o1	10
+CC(C)(C)C1=NC2=C(C(C)=C(C(N2N1)=O)c3ccccc3)C#N	7703
+CC(C)(C)c1nnc(NC(N(CCCl)C)=O)s1	221
+CC(C)(C)c1nnc(s1)N2C(CCN(C)C2=O)O	1903
+FC(F)(F)c1ccc(cc1)OC(OC2CCN(C)C(=O)N2c3nnc(C(C)(C)C)s3)=O	405
+CC(C)(C)c1nnc(s1)N2C(OC(Oc3cc(ccc3)[N+]([O-])=O)=O)CCN(C)C2=O	405
+CC(C)(C)c1oc(cc1)C2C(C2)C(=O)O	3
+CC(C)(C)c1oc(C2C(C(OCC)=O)C2)cc1	7704
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(n3)C4CCN(CC4)C(=O)OC(C)(C)C)n2)o1	7705
+CC(C)(C)c1onc(NS(=O)(=O)c2ccccc2)c1Br	2165
+CC(C)(C)c1ccc(C=C)s1	7706
+CC(C)(C)c1sc(nn1)N=C=O	775
+CC(C)(C)c1nc(c(s1)-c2nc(N)ncc2)-c3c(c(N)ccc3)F	911
+CC(C)(C)c1sc(c(-c2c(c(ccc2)NS(=O)(=O)c3c(F)ccc(c3)F)F)n1)-c4nc(ncc4)Cl	69
+CC(C)(C)c1nc(-c2c(c(ccc2)NS(=O)(=O)c3c(cccc3F)F)F)c(s1)-c4nc(ncc4)NCC(C)O	96
+CC(C)(C)c1ccc(C2CC2C(=O)N3CC(C)OC(C)C3)s1	58
+CC(C)(C)c1ccc(s1)S(=O)(=O)Nc2c(c(nc(-c3ncccn3)n2)OC)Oc4c(cccc4)OC	2878
+CC(C)(C)c1nnc(NC(=O)N(CCC=O)C)s1	1110
+CC(C)(C)c1sc2c(n1)cc(N3CCC(CC3)C)c(N=C=S)c2	333
+CC(C)(C)c1sc2c(n1)cc(N3CCN(CC3)C)c(c2)N=C=S	333
+CC(C)(C)c1sc2cc(c(N3CC(CCC3)C)cc2n1)[N+]([O-])=O	1998
+CC(C)(C)c1nc2cc(N3CCCC(C)C3)c(N)cc2s1	0
+CC(C)(C)n1c(cc(C=NO)n1)-c2ccc(cc2)F	688
+CC(C)(C)n1c(Br)c(cn1)-c2scc(CC(=O)O)n2	3
+CC(C)(C)n1c(-c2ccc(cc2)C(F)(F)F)c(cn1)-c3scc(CC(=O)NCC4CCOCC4)n3	1624
+CC(C)(C)n1nc(cc1NC(C(N)C)=O)C2(CCN(CC2)C)c3ccccc3	334
+CC(C)(C)n1c2c(cc(Br)cc2)nc1-c3c(-c4nn(nn4)C)cccc3	1694
+CC(C)(C)n1c2c(CC(C(=O)O)(C)CC2)c(n1)-c3ccncc3	4
+CC(C)(C)n1nc(-c2cc(C(N)=O)sc2)c3c1ccnc3O	104
+CC(C)(C)n1c2c(c(OC)ncc2)c(-c3csc(C(N)=O)c3)n1	7707
+CC(C)(C)n1c2ccc(cc2nc1-c3ccccc3-c4nn(nn4)C)-c5cnc(nc5)N	7708
+CC(C)(C)n1c2nc(ncc2cc1)NC(c3ccc(cc3)C)=O	2879
+CC(C)(C)n1c(nc2cc(ccc12)Br)-c3ccccc3-c4[nH]nnn4	424
+CC(C)(C)n1c2c(c(OC)ncc2)c(-c3csc(c3)C(=O)O)n1	1
+CC(C)(C)n1cc(C(NCCN(C)C)=O)c2cnc(nc12)NC(c3ccc(cc3)C)=O	7709
+CC(C)(C)n1c2nc(ncc2c(c1)I)NC(c3ccc(cc3)C)=O	1996
+CCOC(c1c(Cl)n[nH]c1)=O	7710
+CC(C)(C)n1c2CCC(Cc2c(-c3ccncc3)n1)(C)C(OC)=O	1389
+CC(C)(C)n1nc(cc1N=C2c3ccccc3C(=O)N(c4ccc(cc4)Cl)N2)C	7711
+CC(C)(C)n1nc(CN)cc1-c2ccc(cc2)N3CCCCC3	2880
+CC(C)(C)n1nc(C=NO)cc1-c2ccc(cc2)N3CCCCC3	688
+CC(C)(C)n1nc(cc1-c2ccc(cc2)Cl)CCC=O	24
+CC(C)(C)n1c(CC(C)C)cc(C=O)n1	178
+CC(C)(C)n1nc(CCCN2CCN(CC2)c3ccc(cc3)Cl)cc1-c4ccc(cc4)Cl	61
+CC(C)(C)n1c(-c2ccc(cc2)F)cc(n1)C=O	1406
+CC(C)(C)n1nc(C=O)cc1-c2ccc(cc2)N3CCCCC3	1406
+C1CN(CCC1)c2ccc(cc2)N3C(=O)c4ccccc4C(=N3)Nc5cc(C)n[nH]5	7712
+CC(C)(C)n1ncc(C(N)=S)c1Br	4277
+CC(C)(C)n1ncc(C(=O)N)c1Br	1356
+CC(C)(C)n1c(Cl)c(C(=O)O)cn1	6
+CC(C)(C)n1ncc(C(=O)O)c1Br	6
+CC(C)(C=1C(C(=C(C)C(=O)C=1C)C)=O)CC(=O)OCCCCO[N+](=O)[O-]	456
+CC(C)(C=1C(=O)C(C)=C(C)C(=O)C=1C)CC(=O)Nc2ccc(cc2)CO	33
+C1CC(CCC1NC(c2ccc(-c3cccc(c3)F)nc2)=O)C(C)(C)O	56
+CC(C)(O)C1n2c(COC1)nc3c2c4c([n+]([O-])c3)cccc4	359
+CC(C)(O)C1COCc2n1c3c4ccccc4nc(N)c3n2	445
+CC(C)(c1c(Cl)cc(c(c1)C=O)OC)C=C	146
+c1cc(ccc1C(C)(C)CCO)-c2ccco2	347
+CC(C)(CO)CCC#N	237
+c1cc(ccc1)[Si](c2ccccc2)(OCC(C)(C)C=O)C(C)(C)C	328
+CC(C)(NC(c1ccc(F)cc1F)=O)C(C)O	684
+CC(C)(C=C)c1cc(c(OC)cc1Cl)Br	4278
+CC(C)(C(O)C)c1cc(Br)c(F)cc1	7713
+CC(C)(CCNCCC)O	15
+c1ccc2c(C(=O)N(C2=O)C(C)(C)CC(NCc3c(OCC(OCC)=O)cccn3)=O)c1	9
+c1ccccc1COC(NC(C)(C)CCOC)=O	21
+CC(C)(c1ccc(C)o1)CC(=O)O	4
+CC(C)(CC1OCCO1)CC(=O)OCC	2881
+FC(F)(F)C(CC(C)(C)Cc1cc(Cl)ccc1)(O)C(OCC)=O	4279
+CC(C)(CC(C(OCC)=O)=O)c1cccc(F)c1	4280
+FC(F)(F)C(O)(C(OCC)=O)CC(C)(C)c1cc(F)ccc1	4279
+CC(C)(Cc1n(nc(C(=O)OCC)c1)CCCC)O	4281
+CC(C)(C=1C(=O)C(C)=C(C)C(=O)C=1C)CC(=O)Nc2ccc(cc2)COc3ccc4nc(sc4c3)C#N	22
+CC(C)(CC(=O)O)N1C(c2ccccc2C1=O)=O	672
+CC(C)(CC(OC)=O)O	325
+CC(C)(CC(=O)NCCC)O	248
+CC1(C)C(C)(C)OB(O1)c2cc(C(C)(C)CC(OC)=O)ccc2OC	372
+CC(C)(c1ccc(cc1)C(Nc2nc3cc(C)nn3c(-c4ccccc4)c2)=O)CC(=O)O	4
+CC(C)(CC)C(=O)C(=O)N1C(C#N)CCC1	143
+CC(C)(CC)C(C(=O)N1CCCC1C(=O)O)=O	4
+CC(C)(CC)C(=O)C(N1CCCC1C(N)=O)=O	83
+C1COCCC1Cn2c(C(C)(C)CC)nc3cc(ccc23)NC(=O)C	1264
+c1cc(ccc1CC(O)(c2nc(cn2S(=O)(=O)N(C)C)CC(C)(C)CC)C)-c3c(cccc3)SC	11
+CC(C)(CC)N=C(NC#N)Nc1cc(cc(N=[N+]=[N-])c1)I	7714
+CC(C)(N=NC(Cl)(CCC(OCCCC)=O)C)CC	7715
+CC(C)(CC)c1cc(cc(c1O)[N+]([O-])=O)-c2cccc(C=C3SC(NC3=O)=S)c2	1149
+CC(C)(CC)c1ccc(OCC(=O)Nc2ccc(cc2)Nc3cc(ccc3)O)c(C(C)(C)CC)c1	26
+CC(C)(CC)c1ccc(OC(C(=O)Nc2cc(O)c(cc2)NC(=O)C(F)(F)C(Cl)F)CC)c(c1)C(C)(C)CC	26
+CC(C)(CC)c1ccc(Oc2c(C(=O)O)cc(O)cc2)c(C(C)(C)CC)c1	5
+CC(C)(c1c(c(cc(-c2cccc(c2)CC3SC(NC3=O)=S)c1)[N+]([O-])=O)O)CC	7716
+CC(C)(CC)c1c(O)c([N+]([O-])=O)cc(-c2cccc(C=O)c2)c1	2166
+CC(C)(c1cc(N)c(cc1)[N+](=O)[O-])CC	7717
+CC(C)(CC)c1cc(C(C)(C)CC)c(cc1)Oc2ccc(cc2C(Nc3ccccc3)=O)O	67
+CC(C)(c1ccc(NC(C)=O)c([N+]([O-])=O)c1)CC	77
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3C(OC(CC3)(c4ccccc4)CC(C)(C)C#N)=O	17
+CC(C)(CC1NC(OC1)=O)F	1138
+CC(C)(F)CC(CO)N	886
+CC(C)(CCO)CC1OCCO1	44
+CC(C)(CC=O)CC=C	2359
+CC(C)(CC=C)CCOC(c1ccc(cc1)[N+](=O)[O-])=O	279
+CC(C)(CC=C)CCO	237
+c1cc(ccc1)COC(=O)CC(C)(C)COS(=O)(=O)CCCNC(C)=O	4282
+CC1(C)OC2C(C(n3cnc4c(N)ncnc34)OC2CN(C)CCC(C)(C)NC(=O)OCc5ccccc5)O1	61
+CC(C)(NC(=O)OCc1ccc(cc1)[N+]([O-])=O)CCCO	647
+c1cc(ccc1)COC(CCC(C)(C)C(O)=O)=O	1699
+CC(C)(CCC(=O)O)NC(=O)OCc1ccc(cc1)[N+]([O-])=O	2167
+CC(C)(CCC)C(N)=O	2168
+CC(C)(CC(O)=O)CCC	3
+CC(C)(CCCC(CC=CC(C)=CCO)C)OC	4283
+c1cc(ccc1C(C)(C)CCCC)CC(CCl)C	2753
+CC(C)(CCCCC(O)=O)COC1CCCCO1	459
+c1cc(ccc1OC(=O)C(C)(C)CCCCCC)OCc2ccccc2	385
+CC(C)(O)CCCCN1C(=O)c2n(CC(O)CO)cnc2N(C)C1=O	2386
+CC(C)(CCCCOCCCCI)C(=O)OCC	363
+CC(C)(C(O)=O)CCCCOc1ccc(c(c1CCC)O)C(C)=O	4
+CC1(C)CCCc2c1ccc(Br)c2	957
+CC(C)(CCCl)COC1CCCCO1	219
+CC(C)(CCN1C(=O)c2ccccc2C1=O)COC3CCCCO3	851
+CC(C)(CCNc1nc(-c2n3ccnc(C)c3nc2-c4ccc(F)cc4F)ccn1)O	435
+c1cc(ccc1)C#Cc2ncc(nc2)NCCC(C)(C)O	941
+CC(C)(O)CCNc1nn2c(cc1)ncc2Br	7718
+CC(C)(CCN)COC1CCCCO1	45
+O=S1(=O)NC(=Nc2ccc(cc12)NS(=O)(=O)C)C=3C(N(CCC(C)(C)CC)N=C(C=3O)c4cccs4)=O	7719
+c1cc(ccc1)COC(=O)C(C)(C)CCO	283
+O=S(=O)(C)OCCC(C)(C)CC1OCCO1	7
+CC(C)(CC=O)CCN=[N+]=[N-]	24
+CC(C)(n1ncc(-c2ncnc3c2cc[nH]3)c1)CCOS(=O)(=O)C	7
+CC(C)(O)COc1c(Br)c(ccc1)C=O	72
+c1cc(ccc1N2C(CC3CN(CC3)C(=O)C4CC4)=NN(CC(C)(C)O)C2=O)-c5ccc6occc6c5	4284
+CC(C)(C(C(n1cncn1)Oc2ccc(Cl)cc2Cl)=O)CF	7720
+CC(C)(NC(=O)c1nn(c2C3CC3Cc12)-c4nccc(Cl)c4)CF	81
+CC(C)(CN(C)C)CN1C(C(OC(c2c1ccc(c2)Cl)c3c4ccccc4ccc3)CC(N)=O)=O	83
+CC(C)(CN(C)C)CN1C(=O)C(CC(=O)O)OC(c2c1ccc(c2)Cl)c3c4ccccc4ccc3	3
+CC(C)(CN(c1nc(ccc1)OC2CN(C2)c3ccc(cc3)C(NC(C)=O)C)C)O	640
+CC(C)(CN)CNc1cc(-c2c3cccnc3[nH]c2)cc(Cl)n1	70
+O=S(=O)(NCC(C)(C)CNc1nc(Cl)cc(-c2c3c(nccc3)[nH]c2)c1)c4cnccc4	1362
+FC(F)(F)C(=O)NCC(C)(C)Cc1cccc(Br)c1	605
+FC(F)(F)Oc1ccc(cc1)NC(c2c(Cl)cc(NCC(C)(C)O)c(c2)[N+](=O)[O-])=O	60
+FC(F)(F)c1nc2n(c1CC3CCC(CC3)(F)F)c(cc(C(=O)NCC(C)(C)O)c2)Cl	14
+CC(C)(O)CNC(c1ccc(Cn2c(c(c(n2)C)-c3cc(c(C#N)cc3)Cl)C)cn1)=O	81
+O=S(=O)(C)c1ccc(Oc2cc3cc([nH]c3c(OC)c2)C=4SC(CC(NCC(C)(C)O)=O)CN=4)cn1	9
+CC(C)(O)CNc1c2ccc(cc2ncc1[N+]([O-])=O)Br	105
+c1cc(ccc1)-n2c(cc(C(NCC(C)(C)O)=O)n2)NC(=O)c3c(Cl)cc(Cl)c(c3)-c4ccccn4	81
+CC(C)(CN1C(c2cc(Cc3ccc(cc3)-n4nccc4)c(C)c(C)c2C1)=O)O	7721
+c1cc(ccc1)N2C(C(C(O)=O)=C(N2CC(C)(C)O)C)=O	2882
+CC(C)(CN(C)C)CN1c2ccc(cc2C(OC(CC(OCC)=O)C1=O)c3cccc4ccccc34)Cl	61
+CC(C)(CN1c2c(cc(Cl)cc2)C(OC(CC(N)=S)C1=O)c3c(OC)c(ccc3)OC)COC(=O)C	199
+C1CC1NC(c2cc(F)c(c(-c3ccc4C(N(CC(C)(C)CO)C=C(c4c3)C=O)=O)c2)C)=O	99
+CC(C)(CN1CCC(CC1)CNC(c2c3n(cc(CC)n3)c(N)c(Cl)c2)=O)OC	7722
+CC(C)(CN1C(C(CC(OCC)=O)OC(c2cccc3ccccc23)c4c1ccc(c4)Cl)=O)C=O	24
+CC(C)(CN1C(C(OC(c2cc(Cl)ccc12)c3cccc(c3OC)OC)CC(N)=O)=O)COC(=O)C	83
+CC(C)(COC(=O)C)CN1C(=O)C(OC(c2cccc(c2OC)OC)c3c1ccc(Cl)c3)Cc4sc(cn4)C(OCC)=O	7723
+CC(C)(CNC(=O)c1nc(c2cc(ccc2c1O)Oc3cc4ccccc4cc3)C#N)C(=O)O	3
+CC(C)(Cn1c2c(nc1COCC)cnc3cc(cnc23)Br)O	7724
+CC(C)(C(NCc1cccc(OC)c1)=O)COc2c(c(N)ccc2)C#N	57
+CC(C)(C(OC)=O)COc1ccc(cc1)OC	20
+O=S(=O)(CCCNC(C)=O)OCC(C)(C)C(=O)OCC	7
+O=S(=O)(CCCNC(C)=O)OCC(C)(C)CC=C	7
+c1cc(ccc1)C(=O)Oc2cc3ccc(CCCC(C)(C)CO)cc3cc2N4S(=O)(=O)NC(C4)=O	2676
+C[Si](C)(C)CCOCn1c2c(c(c1)C(=O)NCC(C)(C)CO)nc(-c3c4ccc(cc4n(C)n3)F)cn2	484
+C[Si](C)(C)CCOCn1c2c(nc(cn2)Br)c(C(=O)NCC(C)(C)CO)c1	484
+c1ccccc1COC(=O)NCC(C)(C)CO	101
+c1ccccc1[Si](c2ccccc2)(OCC(C)(C)CN)C(C)(C)C	328
+CC(C)(CO)COC1OCCCC1	219
+c1cc(ccc1Cl)C2(OCC(C)(C)CO2)CSCC(OCC)=O	4285
+c1cc(ccc1C2(OCC(C)(C)CO2)CSCC(OCC)=O)C	4285
+c1cc(ccc1)COCC(C)(C)CO	149
+CC(C)(COC1COCC1)C=O	24
+CC(C)(C=O)COC1OCCCC1	24
+CC(C)(NC(C(Oc1ccc2c(cc(Br)cn2)c1)SC)=O)C=O	24
+CC(C)(C=O)NC(=O)c1ccc(F)cc1F	24
+O=S(=O)(C(C)(C)CO)CCNC(=O)C1=Cc2c(ncnc2Nc3ccc(Oc4cnc(cc4)C)c(C)c3)NCC1	7725
+CC(C)(c1[nH]c2c(cc(cc2)N)c1)CO	0
+c1cc(ccc1F)C(C)(C)C=O	24
+CC(C)(c1n(CC(O)CO)c2cc(F)c(cc2c1)NC(=O)C3(CC3)c4cc5OC(F)(F)Oc5cc4)CO	265
+CC(C)(CO)n1ncc(N)c1	209
+O=S(=O)(OCC(C)(C)n1ncc([N+]([O-])=O)c1)C	7
+CC(C)(CO)n1ncc(c1)Nc2nc(N3C(C(C4CC4)(CN)CC3)=O)ccn2	3844
+CC(C)(C1Cc2c(cc(OC)c(c2)OCCOCC)C3=CC(C(C(O)=O)=CN13)=O)COC	108
+CC(C)(COC)C1Cc2c(C3=CC(C(=CN13)C(OCC)=O)=O)cc(OC)c(OCCOCC)c2	8
+CC(C)(C1Cc2cc(c(cc2C3=CC(C(C(O)=O)=CN13)=O)OC)OCCC4CCCN4C)COC	108
+CC(C)(CCCCC#N)COC1CCCCO1	830
+CC(C)(CO)COC1CCOC1	95
+CC(C)(C#C)COC1CCOC1	1596
+CC(C)(c1ccc(cc1O)N)COCCOC	106
+CC(C)(c1ccc(cc1[N+](=O)[O-])N)COCCOC	77
+CC(C)(COc1ccc(cc1)OC)C=O	24
+c1cc(ccc1S(=O)(=O)OCC(C)(C)CS(=O)(=O)N)C	36
+c1cc(ccc1)C2(C(C(C(c3[nH]c4cc(ccc4c3CC(C)(C)NC(=O)C)C)c5ccccc5)=C2O)=O)C	2883
+CC(C)(CC(C(=O)OCC)=O)Cc1cc(Cl)ccc1	4280
+CC(C)(Cc1cc2c(OCO2)cc1)N	157
+CC(C)(NC(CCl)=O)Cc1cc(Br)ccc1	4286
+CC(C)(Cc1n(nc(c1)C(=O)N)CCCC)O	314
+c1cc(ccc1OC(C)(C)C#C)S(=O)(=O)N(C)C	7726
+CC1(C)c2c(C(C)(C)CC1)cc(C)cc2O	1204
+CC1(C)CCC(C)(C)c2c(O)cc(cc12)Br	1204
+CC1(C)c2cc(Br)c(cc2C(C)(C)CC1)C	1204
+CC1(C)c2c(ccc(O)c2)C(C)(C)CC1	1204
+CC1(C)c2ccc(OC)cc2C(C)(C)CC1	1204
+CC1(C)c2c(ccc(c2)CCCCCC)C(C)(C)CC1	1204
+CC1(C)CCC(C)(C)c2c1cc(CCCO)cc2	1204
+CC(C)(Cn1c2c(c(N)nc3cccnc23)nc1CO)F	59
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c(nc3cc(ccc3c12)OCc4ccccc4)N	445
+CC(C)(O)Cn1c(nc2c(N)nc3c(ncc(c3)-c4cc(ccc4)CO)c12)CO	665
+C1(c2ccccc2C(=O)N1OCc3nc4c(N)nc5ccccc5c4n3CC(C)(C)O)=O	7727
+CC(C)(O)Cn1c(nc2c(nc3ccccc3c12)N)CN4C(c5c(C4=O)cccc5)=O	2884
+CC(C)(Cn1c(nc2c(N)nc3c(ncc(-c4cccc(CO)c4)c3)c12)COCC)O	1151
+CC(C)(O)Cn1c2c(nc1COCC)c(N)nc3c2ncc(-c4cnc(cc4)F)c3	7728
+CC(C)(Cn1c(nc2c(N)nc3ccccc3c12)CCl)O	461
+c12c(C(=O)N(C1=O)Cc3n(CC(C)(C)O)c4c5c(cccn5)ncc4n3)cccc2	2884
+CC(C)(O)Cn1c2c(nc1CNC(C)=O)cnc3c2nccc3	68
+CC(C)(Cn1c(nc2c(nc3cc(cnc3c12)Br)N)COCC)O	461
+CC(C)(O)Cn1c2c3c([n+]([O-])c(c2nc1COCC)N)cccc3	2885
+CC(C)n1ncnc1-c2cn3c(-c4c(OCC3)cc(cc4)-c5cn(cn5)CC(C)(C)O)n2	1715
+CC(C)(Cn1c(COC(C)=O)nc2c1c3ncccc3nc2N)F	7729
+CC(C)(F)Cn1c2c(nc1COC(C)=O)c[n+]([O-])c3cccnc23	4287
+CC(C)(F)Cn1c(nc2c([n+](c3cccnc3c12)[O-])N)COC(C)=O	574
+CC(C)(c1nnc2ccc(F)cn12)N(C)C	757
+c1ccccc1CN(C)C(C)(C)CCO	44
+c1cc(ccc1F)-n2c3ccc(C#CC(C)(C)N(CCO)CC)cc3cc2	1247
+CC(C)(Nc1nc(Cl)c(c(n1)Cl)C#N)C#N	96
+CC(C)(C#N)NC(=O)C(CC)Oc1cc2c(cc1)ccc(OCC)c2	9
+FC(F)(F)c1cc2C(C)(C)CC(c3cccc(c3)NC(C)(C)C(O)=O)N(C)c2cc1	2012
+FC1(F)CN(C1)c2c(nc(C(NC(C)(C)CC(OCC)=O)=O)cc2)OCC3CC3	81
+CC(C)(NC(=O)C(CC)Oc1ccc2c(c1)cc(cn2)I)CCF	9
+CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3c(-c4ccc(cc4OCC3)C(=O)NCC(C)(C)N)s2)c(Cl)c1	14
+CC(C)(CNC(c1n2c(c(cc(C)c2)OCc3c(ccc(c3F)F)F)nc1C)=O)N	312
+c1cc(ccc1)-c2cc3c(cc2)c(NCC(C)(C)N)c([N+]([O-])=O)cn3	105
+CC(C)(N)CNc1cc(cc2c1ccnc2)-c3ccncc3	250
+CC(C)(CNc1ccc(C#N)cn1)N	70
+c1ccccc1COc2ccc3c(c([N+]([O-])=O)cnc3c2)NCC(C)(C)N	105
+FC(F)(F)c1ccc(cc1)C=2OCC(C)(C)N=2	4288
+c12c(cccc1)C(=O)N(C2=O)C(C)(C)CO	672
+CC1(C)COC(=N1)c2c(c(OCC)no2)C	7730
+CC(C)(Nc1scc(n1)-c2ccc(Br)cc2F)CO	4289
+c1c(OC)c(c(cc1C2=NC(C)(C)CO2)OC)Br	4288
+CC(C)(CO)NC(=O)c1ccc(F)cc1F	14
+CC(C)(CO)NC(=O)C(Oc1ccc2c(cc(Br)cn2)c1)SC	9
+c1cc(ccc1-c2ccccc2)Cn3cc4c(n3)NC(=NC(C)(C)CO)N(C4=O)C	7731
+c1cc(ccc1-c2nnn(C)c2COc3nnc(C(NC(C)(C)CO)=O)cc3)F	81
+c1cc(ccc1C(=O)OC)C(NC(C)(C)CO)=O	14
+c1cc(ccc1F)-n2c(COc3cnc(C(NC(C)(C)CO)=O)cn3)c(C)nn2	312
+c1cc(ccc1F)-n2nnc(C)c2COc3ccc(C(NC(C)(C)CO)=O)cn3	56
+CC(C)(N)CSc1nnc(cc1)Cl	1929
+CC(C)(CSc1ccc(Cl)nn1)NCC(O)COc2c(CCOC)cccc2	122
+c1c(F)c(c(cc1C=CC(=O)OC)F)C2NC(C)(C)Cc3c4c(cccc4)[nH]c23	7732
+CC(C)(c1ccc2c(cco2)c1)NC(Nc3ccc(cc3)-c4cc(C)ncc4)=O	2595
+CC(C)(N1CCCC1C)C(N)c2ccccc2	3867
+c1ccccc1C(C)(C)N2C(c3c(c(c(F)cc3I)Cl)C2O)=O	184
+Ic1cc(F)c(Cl)c2CNC(c12)=O	7733
+FC(F)(F)c1nc2ccccc2c(c1)C(NC(c3ccccc3)C(C)(C)N4CCCC4C)=O	14
+C1CC1NC(=O)c2cc(c(c(c2)N3C=CNC(C3=O)=NC(C)(C)c4ccccc4SCCCl)C)F	1518
+CC(C)(NC(C(COC)Oc1ccc2c(c1)scn2)=O)C#CC	3842
+CC(C)(c1ncccc1)NC(=O)N(CC)O	2674
+CC(C)(NC(=O)N(OCc1ccccc1)CC)c2ccccn2	7734
+CC(C)(CCCOS(=O)(=O)c1ccc(cc1)C)NC(=O)OCc2ccc(cc2)[N+]([O-])=O	36
+CC(C)(CC=O)NC(OCc1ccccc1)=O	24
+CC1(C)N=C(C(C)Br)OC1=O	7735
+CC(C)(NC(C(Oc1ccc2ccc(cc2c1)C)CC)=O)COC	3265
+CC(C)(NC(C(SC)Oc1ccc2c(cc(Br)cn2)c1)=O)C=NOCCCC	410
+CC(C)(Cc1cc(Br)ccc1)N	2886
+CC(C)(NC(c1ccc(cc1F)F)=O)C(C)=O	86
+CC(C)(N(C)Cc1ccccc1)CC(=O)OCC	131
+CC(C)(NCCC=C)CN	51
+CC(C)(CNC(c1ccc(c(Cl)c1)Cl)=O)NCCC=C	93
+CC(C)(NS(=O)(=O)C)CNc1c(cnc2cc(ccc12)OCc3ccccc3)N	13
+c1ccccc1COc2ccc3c(ncc4nc(n(CC(C)(C)NS(=O)(=O)C)c34)COCC)c2	546
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c(N)nc3c(ccc(OCC#Cc4cccs4)c3)c12	1990
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c1c3ccc(cc3nc2N)O	16
+CC(C)(NS(=O)(=O)C)Cn1c(nc2c(N)nc3c(cc(O)cc3)c12)COCC	16
+CC(C)(NS(=O)(=O)C)Cn1c(nc2c(N)nc3ccc(OCc4ccccc4)cc3c12)COCC	445
+CC(C)(Nc1nc(NCC)c(C#N)c(Cl)n1)C#N	40
+CC(C)(Nc1nc(NCC)c(c(n1)OC)C#N)C#N	145
+CC1(C)N(c2scc(-c3c(F)cc(cc3)Br)n2)C(OC1)=O	7736
+CC(C)(c1nn2ccccc2c1C(OCC)=O)O	2169
+C#Cc1c(C)ncc(N)c1	2110
+c1(ccc(C#C)c(c1F)F)F	2110
+CC(C)(C(C)NS(=O)(=O)c1ccc(cc1)Br)O	71
+CC(C)(C(Oc1ncnc(c1)OCC#CCC)C)O	1470
+CC(C)(C(Oc1c(cnc(Cl)n1)I)C)OC2OCCCC2	1646
+CC(C)(C1C(N(CC1)c2c(c(Cl)c(cc2)C#N)C#N)C)O	1191
+CC(C)(O)C1C(C)N(CC1)c2cc(F)c(c(Cl)c2C#N)C#N	7737
+CC(C)(C1n2c3c4ccccc4[n+](c(c3nc2COC1)N)[O-])O	574
+CC(C)(O)CCCC(C)C1CCCC2C(=O)CCCC12C	86
+C[Si](C)(C)OC(C)(C)CCCC(C)C1CCCC2C(=O)CCCC12C	19
+c1cc(ccc1CN)-c2n3nc(NCCC(C)(C)O)ccc3nc2	1414
+CC(C)(O)CN1CCC(CC1)(C#N)c2ccc(cn2)N	3983
+CC(C)(Cn1c2c(nc1CCC)cnc3c2ccc(Br)c3)O	730
+CC(C)(O)CNc1c(N)cnc2cc(ccc12)Br	13
+CC1(C)OB(OC1(C)C)c2c(OCC(C)(C)O)cccc2C=O	17
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)OCC(C)(C)O)OC	17
+CC(C)(O)COc1c(cc(N2C(C=C(OCc3ccc(cc3)Cl)N=C2)=O)cc1)OC	7738
+CC(C)(O)COc1c(OC)cc(cc1)N2C=NC(=CC2=O)C3C(c4ccccc4)C3	7739
+C[Si](C)(C)CCOCOC(C)(C)COc1ccc([N+]([O-])=O)cc1OC	433
+CC(C)(O)COc1c(OC)cc(cc1)N2C(=O)C=C(N=C2)Cl	7740
+CC(C)(Cn1c2c3c(cccc3)[n+](cc2nc1COCC)[O-])O	359
+CC(C)(Cn1c2c3c(cccc3)nc(N)c2nc1CN)O	45
+CC(C)(O)Cn1c2c3c([n+]([O-])cc2nc1COC(C)=O)cc(cc3)OCc4ccccc4	359
+CC(C)(Cn1c(CNC(C)=O)nc2c(N)nc3c(nccc3)c12)O	461
+CC(C)(Cn1c(COCC)nc2c(nc3c(cccc3)c12)N)O	445
+c1ccccc1COc2ccc3c([n+]([O-])c(N)c4c3n(c(n4)COC(C)=O)CC(C)(C)O)c2	574
+CC(C)(C)[Si](C)(C)OC(C)(C)Cn1cc(nc1)I	655
+FC(F)(F)Oc1cc(c(cc1)OC=2C=NN(C(=O)C=2)C(CC3CCCCC3)C(Nc4ccn(n4)CC(C)(C)O)=O)Cl	142
+O=S(=O)(C)c1c(C)cc(cc1)C(C(Nc2nn(cc2)CC(C)(C)O)=O)CC3CC(CC3)=O	142
+C1CCCC1CC(C(=O)Nc2nn(cc2)CC(C)(C)O)N3N=CC(=CC3=O)Oc4ccc(cc4)OC	142
+CC(C)(O)Cn1ccc(N)n1	161
+CC(C)(C)[Si](C)(C)OC(C)(C)Cn1c2ccc(Oc3c(cc(cc3)F)C#N)cc2cn1	655
+CC(C)(c1c(c2n(n1)cccc2)C=O)O	576
+CC1(C)OC(=O)Nc2ccc(cc12)Br	7741
+CC(C)c1c(O)ccc(c1)OC	564
+CC(C)(O)c1c2ncc(-c3ccnc(NC4CCC(CC4)C(=O)O)n3)n2ccc1	3
+CC(C)(O)c1c2n(c(cn2)-c3ccnc(n3)S(C)=O)ccc1	172
+c1(cc(cc(F)c1-c2sc(Nc3ccc(-c4cnn[nH]4)c(n3)C)c(c2)C(=O)N)C(C)(C)O)F	4290
+c1(cc(cc(F)c1-c2cc(C(=O)N)c(s2)Nc3nc(-c4cn(C)nn4)ccc3)C(C)(C)O)F	2461
+c1(cc(cc(F)c1-c2sc(Nc3nc(ccc3)Cn4nncc4C(OC)=O)c(c2)C(=O)N)C(C)(C)O)F	2461
+c1cc(ccc1S(=O)(=O)N2CCOCC2)Nc3c(C(N)=O)cc(s3)-c4c(cc(cc4F)C(C)(C)O)F	2170
+c1(cc(cc(F)c1-c2sc(Nc3ccc4c(n3)nsn4)c(c2)C(=O)N)C(C)(C)O)F	4290
+CC(C)(c1cncc(c1)C(=O)O)O	1
+CC(C)(c1ccc2c([nH]c3c2c(c(C#N)cc3C(=O)N)-c4c(C)c(ccc4)N5C(N(c6c(cccc6F)C5=O)C)=O)c1)O	492
+C[Si](C)(C)C#Cc1ncc(cc1)C(C)(C)O	961
+C[Si](C)(C)CCOCOC(C)(C)c1cnc(cc1)Br	433
+CC(C)(O)c1ccc2C(N(c3c(c(Br)ccc3)CO)CCc2c1)=O	41
+CC(C)(O)c1ccc2c3c([nH]c2c1)c(C(N)=O)ccc3-c4c(C)c(N5C(=O)N6C=CC=C(Cl)C6=CC5=O)ccc4	492
+CC(C)(c1cc2[nH]c3c(c(-c4c(C)c(N5C(c6cc(cc(F)c6NC5=O)F)=O)ccc4)c(cc3C(=O)N)Cl)c2cc1)O	492
+CC(C)(c1cc2[nH]c3c(c(-c4cccc(N5C(=O)N(C)c6c(ccc(c6)OC)C5=O)c4C)c(cc3C(=O)N)Cl)c2cc1)O	492
+CC(C)(c1cc2[nH]c3c(c(-c4cccc(c4C)N5C(N(C)c6c(ccc(F)c6)C5=O)=O)c(cc3C(=O)N)Cl)c2cc1)O	492
+CC(C)(c1cccc(N)n1)O	1380
+CC(C)(c1cccc(C)c1N)OCC	1515
+CC(C)(O)c1nc(Nc2cc(nnc2C(=O)N)Cl)ccc1	314
+CC(C)(c1ccc(cn1)-c2c(C)ccc(c2)N)O	156
+CC(C)(OC(c1cc(N=C=O)ccc1Cl)=O)C(OCC)=O	1044
+FC(F)(F)C=1NC(=O)N(C(=O)C=1)c2ccc(Cl)c(C(=O)OC(C)(C)C(OCC)=O)c2	2375
+c1cc(ccc1C(C)(C)OC)N2C(C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)=C(CCC)N=C2CC)=O	1671
+OB(O)c1cc(cnc1)C(C)(C)OC	2028
+C1C(CC1N2c3n(ncn3)C(CCC)=C(C2=O)Cc4ccc(cc4)-c5ccccc5C#N)OCC(C)(C)O	665
+CC(C)(OCC)c1c(CC2CCC(CC2)(F)F)n3c(n1)cc(cc3C)C(=O)O	329
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc(C)c(cc2OC)OC(C)(C)C(=O)OC	262
+CC(C)(C(OCC)=O)Oc1cccc(CN)c1	107
+CC(C)(Oc1cc(C)c(cc1C)S)C(=O)OC	1180
+FC(F)(F)c1ccc(cc1)-c2ccc(nn2)COc3ccc(OC(C)(C)C(OCC)=O)c(c3)C	20
+FC(F)(F)c1ncc(cc1)-c2nc(c(COc3ccc(c(C)c3)OC(C)(C)C(OCC)=O)cn2)CCOC	2171
+FC(F)(F)c1ccc(cc1)-c2csc(NCCOc3ccc(c(C)c3)OC(C)(C)C(OC)=O)n2	7742
+CC(C)(C(=O)O)Oc1cc2c(C(=O)OCc3ccccc3)c(C)[nH]c2cc1	3
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3cc(ccc3)OC(C)(C)C(OCC)=O)c2	20
+c1cc(ccc1)CC(CS(=O)(=O)C(C)(C)C(N)=O)C(=O)OCc2ccccc2	2168
+C1CCN(C1)CC(C)(C)S(=O)(=O)c2cc3sc(N)nc3cc2	902
+CC(C)(C(O)=O)Sc1cc2sc(N)nc2cc1	3
+CC(C)(Cc1ccc2c(c1)OCO2)[N+]([O-])=O	4244
+FC(F)(F)c1cccc(C(Nc2cc(c(cc2)OCC(C)(C)[N+](=O)[O-])-c3n(ncc3Cl)C)=O)c1	262
+CC(C)(Cc1c2c(c(ccc2)OCc3ccccc3)[nH]c1)N	157
+CC1(C)C(C)(C)OB(O1)c2c(C(C)(C)OCOCC)ccc(C)c2	17
+CC[Si](CC)(CC)C#Cc1c(C(C)(C)C(N)=O)cccc1	263
+CC(C)(COCCOC)c1c(cc(NC(=O)C)cc1)O	606
+CC(C)(O)c1c(NC(=O)C)cccc1OC	26
+CC(C)(c1c(N)cc(NC(C)=O)cc1)COCCOC	0
+C(c1ccc(Cl)c(CO)c1)NC(CC)=O	2696
+CC(C)(c1c(Br)cccc1)C(=O)N	645
+CC(C)(c1c(cccc1)OCc2ccccc2)N=C3C(=O)N(c4cc(ccc4C)C(=O)OC)C=C(Br)N3	7743
+CC(C)c1c(C)cccc1OC	564
+CC(C)(c1nnc(nc1Cl)-c2c3ccc(C)nc3n(n2)Cc4c(F)c(F)ccc4)C(=O)OC	7744
+CC(C)(CC(=O)Cc1ccc(C#N)cc1Cl)c2c3c(CCO3)ccc2	86
+CC(C)(c1c2c(ccc1)CCO2)CC=O	378
+CC(C)(c1c2c(CCO2)ccc1)CC(N(OC)C)=O	164
+CC(C)(CN)c1c2ccccc2[nH]c1	51
+CC(C)(c1c2OCCc2ccc1)CC(Cc3ccc(C#N)cc3Cl)O	7745
+CC(C)(c1cccc(-c2ccnc3c2cn[nH]3)c1)CN	51
+CC1(C)C(C)(C)OB(O1)c2cccc(C(C)(C)C#N)c2	17
+c1cc(ccc1[N+](=O)[O-])Oc2ccc(C)c(NC(c3cccc(C(C)(C)C#N)c3)=O)c2	46
+CC(C)(c1cc(C(=O)Nc2cc(ccc2)N(c3nc4c(cn3)nc(N)s4)C)ccc1)C#N	2811
+CC(C)(c1cc(C(Nc2cc(NC(c3cc4nccnc4s3)=O)c(cc2)C#N)=O)ccc1)C#N	180
+CC(C)(c1cc(C(Nc2ccc(c([N+]([O-])=O)c2)C)=O)ccc1)C#N	67
+CC(C)(c1cc(C(Nc2ccc(c([N+]([O-])=O)c2)Br)=O)ccc1)C#N	67
+CC(C)(C#N)c1cccc(NC(Nc2ccc(c(c2)NC(c3sc4c(nccn4)c3)=O)C)=O)c1	4291
+CC(C)(c1cc(C(Nc2cc(Nc3ncc4nc(NC(C)=O)sc4n3)c(Cl)cc2F)=O)ccc1)C#N	67
+CC(C)(c1cc(C(=O)O)ccc1)C#N	1
+CC(C)(CC)c1cc(C(C)(C)CC)c(cc1)Oc2c(C(O)=O)cc(cc2)OC	1
+CC(C)(c1cc(C(=O)Nc2cc(N(C)c3nc(SC#N)c([N+]([O-])=O)cn3)ccc2)ccc1)C#N	4211
+CN(C)CCNc1cnc2c(sc(C(=O)Nc3c(ccc(NC(c4cc(C(C)(C)C#N)ccc4)=O)c3)C)c2)n1	464
+CC(C)(c1cccc(c1)C(Nc2cc(c(cc2)CC)Oc3ncc([N+]([O-])=O)cc3)=O)C#N	136
+CC(C)(c1cc(ccc1)C(Nc2ccc(c(c2)N)Br)=O)C#N	0
+CC(C)(c1cc(ccc1)C(Nc2cc(N)c(cc2)C)=O)C#N	0
+CC(C)(O)c1cc(F)c(CN)cc1	107
+CC(C)(C(=O)N=[N+]=[N-])c1cccc(c1)F	7746
+CC(C)(c1cc(c(cc1)N)N)CC	0
+CC(C)(O)c1cc(N)nc(C)c1	7747
+c1cc(ccc1F)-n2c(C(C)(C)c3cc(c(Cl)cc3)Cl)cnc2	7748
+CC(C)(C(C)=O)c1cc(c(F)cc1)OC	2555
+CC(C)(c1cc(ccc1)C(=O)Nc2cccc(Oc3c(cc(N)cc3)C#N)c2)C#N	0
+CC(C)(c1cc(ccc1)C(=O)Nc2cccc(Oc3c(c4c(cc3)nc(s4)N)C#N)c2)C#N	821
+CC(C)(c1cc(ccc1)C(=O)Nc2ccc(c(N3C=Nc4c(cccc4C3=O)Cl)c2)C)C#N	7749
+CC(C)(c1cc(ccc1)C(Nc2cc(Nc3ccc4c(c3)C(N(C)C(SC)=N4)=O)c(C)cc2)=O)C#N	230
+CC(C)(c1cc(ccc1)C(Nc2cc(ccc2)NC=O)=O)C#N	2887
+CC(C)(c1cc(C(Nc2cc(NC)ccc2)=O)ccc1)C#N	695
+CC(C)(c1cc(C(=O)Nc2ccc(c(c2)NC(c3cc4nccnc4s3)=O)Br)ccc1)C#N	864
+CC(C)(c1cc(F)ccc1)C(O)=O	4292
+CC(C)(OC)c1cncc(Br)c1	76
+CC(C)c1c(OC)cc2C(C)CCCc2c1	564
+CC(C)(C(=O)O)c1cc2c(c(O)c1)C3CC(CCC3C(C)(C)O2)O	100
+CC(C)(c1ccc2OCc3ncccc3C(=CCCN4CCC(N(Cc5ccc(cc5)Cl)CC(OC)=O)C4)c2c1)O	2000
+c1cc(ccc1Cl)NC2(CCN(CC2)CCC=C3c4c(OCc5ncccc35)ccc(C(C)(C)O)c4)C#N	2000
+CC(C)(CO)c1cc2c(ccc([N+](=O)[O-])c2)[nH]1	44
+CC(C)(c1sc2c(c(N3CCOCC3)nc(-c4cnc(nc4)N)n2)c1)OC	7750
+CC(C)(c1cc2c(ccc([N+](=O)[O-])c2)[nH]1)C(OCC)=O	31
+CC(C)(c1cc2cccnc2c(c1)-c3cccc(CC(c4ccc(cc4)SC)C(=O)c5ccccc5)c3)S(=O)(=O)C	155
+CC(C)(c1cc2cccnc2c(c1)-c3cccc(c3)CC(c4ccc(cc4)SC)C=O)S(=O)(=O)C	59
+CC(C)(c1cc2cccnc2c(-c3cc(ccc3)CC(C(c4ccccc4)O)c5ccc(cc5)SC)c1)S(=O)(=O)C	7751
+c1cc(ccc1F)-n2ncc3cc(C(C)(C)C(C)(C)CN)ccc23	15
+CC(C)(c1ccc(C)o1)CCO	21
+CC(C)(c1ccc(C)o1)CC=O	24
+CC(C)(C(=O)O)c1cc(c(cc1)F)OC	4
+CC(C)(c1c(C=C)cc(NC(c2cc(c(cc2)OC)OC)=O)cc1)C#N	50
+CC(C)(CC)c1ccc(N)c([N+](=O)[O-])c1	106
+CC(C)(C#N)c1ccc(c(C)c1)C(C)N	474
+c1cc(ccc1C(C)(C)C(=O)O)-c2cc(cnc2)COC	89
+c1cc(ccc1-c2cncc(C#N)c2)C(C)(C)C(=O)O	89
+CC(C)(c1ccc(cc1)CC(CO)C)CC	1028
+c1cc(ccc1C=C(C=O)C)C(C)(C)CC	1103
+c1cc(ccc1C(C)(C)COC)F	21
+c1cc(ccc1F)C(C)(C)CCC(=O)N(OC)C	978
+c1cc(ccc1F)C(C)(C)CNc2ccc(nn2)Cl	232
+c1cc(ccc1F)C(C)(C)CNc2ncc(cn2)Br	1333
+c1cc(ccc1OCC2COC(C)(C)O2)C(C)(C)c3ccc(cc3)OCC4CO4	267
+CC(C)(c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)c3ccncc3)Cl)CC	69
+CC(C)(COCCOC)c1ccc(cc1)N	0
+CC(C)(c1c([N+](=O)[O-])cc(cc1)NC(=O)C)COCCOC	26
+CC(C)(c1ccc(nc1)C2CC2COc3nc(C)nc(Cl)c3)O	145
+CC(C)(c1ccc2OCc3ncccc3C(=CCCN4CC(N(CC(=O)O)Cc5ccc(cc5)Cl)CC4)c2c1)O	4
+C1CC2CCN1CC2NC(=O)NC(C)(C)c3cccc(-c4ccccc4)c3	11
+CC(C)(c1cc(C(=O)Nc2c(C)ccc(c2)O)ccc1)C#N	50
+CC(C)(c1cc(C(Nc2cc(c(cc2)CC)O)=O)ccc1)C#N	50
+CC(C)(c1cccc(C(=O)Nc2cccc(c2)[N+]([O-])=O)c1)C#N	50
+CC(C)(c1cc(ccc1)C(Nc2cc(N)ccc2)=O)C#N	0
+CC(C)(c1cccc(C(Nc2cc(Oc3ccc4c(sc(NC(C)=O)n4)c3)ccc2C)=O)c1)C#N	290
+CC(C)(C#N)c1cccc(OC)n1	430
+CC(C)(c1cc(ccc1)C(=O)Nc2cc(Oc3ccc([N+](=O)[O-])cc3C#N)ccc2)C#N	46
+CC(C)(c1cccc(c1)C(Nc2cc(Oc3nc4c(cc3)nc(NC(=O)CO)s4)c(CC)cc2)=O)C#N	948
+CC(C)(c1cccc(c1)C(Nc2ccc(c(Oc3ccc(N)cn3)c2)CC)=O)C#N	13
+CC(C)(c1cccc(c1)C(Nc2cc(Oc3ccc4c(sc(N)n4)n3)c(CC)cc2)=O)C#N	2153
+CC(C)(OC1CCCCO1)c2ccccc2Br	219
+CC(C)(OC1OCCCC1)c2c(cccc2)CCC(c3cc(ccc3)C=Cc4nc5c(ccc(Cl)c5)cc4)OS(=O)(=O)C	7
+CC(C)(C(N)=O)c1ccccc1CCc2c(Cl)cnc(Nc3cnn(c3)C)n2	486
+CC(C)(NC(=O)NOCc1ccccc1)c2ncccc2	7752
+CC(C)(c1sc(cc1)Cl)c2nnc(n2C3CC3)C4CC4	2172
+CC(C)(c1sc(cc1)I)c2n(c(nn2)C3CC3)C4CC4	1927
+CC1(C)Cc2nc(ccc2CC1)C(NC(C)(C)c3noc(n3)C)=O	81
+CC(C)(c1nc(Nc2cc(NCCN)nnc2C(=O)N)ccc1)C#N	232
+CC(C)(c1nc(Nc2cc(nnc2C(=O)N)Cl)ccc1)C#N	314
+c1cc(ccc1)C(=O)N=C2NC3(CN(c4nc(c(cn4)F)C(C)(C)O)CC3CS2)c5cnccn5	7753
+CC(C)(OCC)c1nc2cc(cc(n2c1CC3CCC(CC3)(F)F)C)C#N	481
+CC(C)(C#N)c1ccc(cn1)Nc2c3cc(ccc3ncc2[N+](=O)[O-])Br	1332
+CC(C)(c1ncccc1Oc2cnc3c(cccc3c2)F)C#N	3984
+CC(C)(c1ncccc1Oc2cnc3c(cccc3c2)F)C(OCC)=O	2061
+CC(C)(c1ncccc1Oc2cnc3c(cccc3c2)F)C(O)=O	3
+CC(C)(O)c1c(c2n(cccc2)n1)CO	536
+CC(C)(c1nnc(C2CC2)o1)c3cncc(-c4cc5CCc6n(c(nn6)C)-c5cc4)c3	156
+CC(C)(c1nnc2ccc(OC3c4ccccc4C(CC3)N)cn12)N(C)C	870
+CC(C)(n1ncc(c1)-c2ncnc3c2cc[nH]3)CCC#N	300
+CC(C)(C)OC(C(CC(C)C)Br)=O	2173
+FC(F)(F)c1ccc2NC(CC(C)(C)c2c1)c3cc(Br)ccc3	1415
+CC1(C)c2c(c(Cl)cc(C#N)c2)NC(C1)c3cccc(Br)c3	1415
+CC(C)(C)OC1CN(C(C1)C(=O)OCc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3	7754
+CC1(C)c2c(c(cc(C#N)c2)C)NC(c3cccc(Br)c3)C1	1415
+CC1(C)c2c(NC(c3cc(Br)ccc3)C1)ccc(C(=O)OCC)c2	1415
+CC1(C)CC(Nc2c1cc(cc2)C(=O)OCC)c3cc(C#N)ccc3	1415
+CC1(C)CC(Nc2c1cc(cc2)C(OCC)=O)c3cc(C(OC)=O)ccc3	1415
+CC1(C)ON=C(C1)c2cc(c(Cl)nc2)Cl	7755
+CC(C)(C)OC(=O)c1ccc(C)c(c1)OC	2174
+CC(C)(C)OC(c1c(Cl)cc(c(Cl)c1)Cl)=O	2174
+CC(C)(C)OC(=O)c1ccc(cc1O)O	2174
+CC(C)(C)OC(=O)CC1C(=O)N(C(CC)C(OCC)=O)C(c2ccc(cc2)Cl)C(c3cc(Cl)ccc3)C1	2173
+CC(C)(C)OC(=O)C(C(C)C)NS(=O)(=O)c1ccc(cc1)F	2173
+CC(C)(C)Oc1ccc(cc1)Cc2n(C)nc(-c3c(cccc3Cl)F)n2	1658
+CC(C)(C)OC(=O)COCCOCCNC(=O)OCC1c2ccccc2-c3ccccc13	2173
+CC(C)(C)OC(=O)c1c(CCc2ccccc2NC(OCc3ccccc3)=O)cccc1	2174
+CC(C)=C(c1cc(ccc1-c2cc(ccc2F)OC)C(OC)=O)C	7756
+CC(C)=C(C(OC)=O)N1C(CC=C)C([N+]#[C-])C1=O	7757
+CC(C)=C(C(OC)=O)N1C(C(NC=O)C1CC=C)=O	7758
+c1ccccc1COC(=O)NC2C(=O)N(C2CC=C)C(=C(C)C)C(OC)=O	1403
+c1cc(ccc1)C(=O)c2c(O)cc(O)c(c2)C(C)(C)CC	7759
+CC(C)=CC(Nc1cc(C(C(=O)OCC)CCCCC)ccc1)=O	1966
+CC(C)=CC(=O)Nc1cccc(NC(C)=O)c1	1966
+CC(C)=CC(Oc1ccc(cc1)Br)=O	7760
+CC(C)=CC(=O)Nc1ccccc1C	1966
+CC1(C)c2ccc(NC(=O)C)cc2NC(C1)=O	1620
+CC1(C)CC(=O)Nc2c(cccc12)C	1620
+CC1(C)CC(=O)c2c(cc(OC)cc2)O1	4293
+CC(C)(c1cc(c(OC)cc1)OS(=O)(=O)C)CC(=O)O	4294
+CC1(C)Oc2c(cc(c(c2)O)Br)C(=O)C1	4293
+c1cc(ccc1C(C)(C)CC(=O)O)OC	4294
+c1cc(ccc1NC(C=C(C)C)=O)F	7761
+CC1(C)CC(=O)Nc2cc(ccc12)C(C(=O)OCC)CCCCC	1620
+CC1(C)c2c(OC(=O)C1)ccc(Br)c2	7762
+CC(C)=CCn1c([N+]([O-])=O)nc(C)c1	7763
+CC(C)=CCOc1c(Cl)ccc(Nc2nc(N)ccn2)c1	2888
+CC(C)CCC(C(=O)OC)C(O)C	1101
+CC(C)=CCC(c1ccccc1)(C)CNC	110
+c1cc(ccc1)C(C)(CN(C)S(=O)(=O)c2ccccc2)CC=C(C)C	92
+CC(C)=CCC1OC1(C2C(CSCc3ccccc3CCl)(CCC(OC(=O)NC(=O)CCl)C2OC)O)C	7764
+CC(C)=CCC1OC1(C)C2C(C(CCC2(O)CSCc3ccccc3CCl)O)OC	438
+CC(C)=CCCC(=CCCC(=CCCC(C)=CCSCCNC(SC)=C[N+]([O-])=O)C)C	3468
+CC(C)=CCCC(=CCCC(=CCCC(C)=CCSCCNC(=C[N+](=O)[O-])NC)C)C	2063
+O=S(=O)(c1ccc(cc1)C)OCCCC=C(C)CCC=C(CCC=C(C)C)C	36
+CC(C)=CCCC(C)=CCCC(CC(OCC)=O)=O	7765
+CC(C)=CCCC(=CCCC(C)=CCCCO)C	95
+CC1(C)C(O1)CCC(=CCCC(=O)CC(=O)OCC)C	4295
+CC(C)=CCCC(CC(C(OCC)=O)=O)=O	1135
+CC(C)=CCCc1cc(n[nH]1)C(OCC)=O	2889
+CC(C)=CCCC(CC=CC(=CCOC)C)C	3890
+CC(C)=CCCC(C)CC=CC(C)=CCO	2569
+CC(C)=CCCC(CCOC(=O)CCC(=O)Cl)C	130
+CC1(C)OC1CCC2(C)CC2CO	4295
+c1cc(ccc1C(=O)CC2CC=C(CCC=C(C)C)CC2)OC	94
+CC(C)=CCCC=1CCC(CC=1)CCc2ccc(cc2)O	5
+CC(C)=CCCCCCOC	21
+CC(C)CCCCCCO	1101
+CC(C)=CCCCCCO	88
+CC(C)=CCCc1n[nH]c(C(=O)O)c1	6
+CC(C)(Cl)C(=NO)CCn1c([N+]([O-])=O)ncc1	4296
+c1cc(ccc1)C(Oc2cc(c(OCCCCOCC=C(C)C)c(CC)c2)C)=O	126
+CC(C)=CCOc1cc(O)c(cc1)C(=O)C=Cc2c(cccc2)CCCCCCC	307
+CC(C)=CCOc1ccc(C(=O)C=Cc2ccccc2CCCCCCC)c(OCC(OCC)=O)c1	52
+CC(C)=CCn1c2c(N(C(N(CC(=O)c3ccccc3O)C2=O)=O)C)nc1Cl	5
+CC(C)(C(Cn1c(nc(C)c1)[N+]([O-])=O)=NO)Cl	4296
+CC(C)=Cc1cc(CN)ccc1	107
+CC(C)=NOc1c(C(c2ccc3c(c2)ccc(c3)OC)=O)ccc(OC)c1	2890
+c1ccccc1COc2cc(ON=C(C)C)c(C#N)cc2	2890
+CC(C)Nn1c(CCC)nc2c1c3ccc(Br)cc3nc2	4297
+CC(C)Nn1c2c3ccccc3ncc2nc1	4297
+CC(C)[SiH](C(C)C)c1c(C)cc(cc1C)OCCC(=O)O	2891
+CC(C)n1ncnc1-c2sc3c(-c4c(cc(cc4)C5CN(C5)C(C)(C)C#N)OCC3)n2	735
+CC1(C)Oc2c(C1)c(C)c(C)c(C=CC(=O)C)c2Cl	964
+CC(C)(N1C(CCC1)C)C#N	735
+CC(C)NC(CC)C(=O)OC	3794
+CC(C)=Cc1cc(ccc1)C#N	846
+Clc1c(Cl)ccc(c1OC)OC	7766
+Cc1ccccc1-c2cc(c(C(=O)N3Cc4n(Cc5c3cccc5)c(C(=O)O)cc4)cc2)OC	2892
+c1cc(ccc1C2CCCCC2)C(N3c4c(cccc4)Cn5c(C(=O)O)ccc5C3)=O	2892
+c1cc(ccc1C=2CCCCC=2C)C(N3Cc4ccc(C(=O)O)n4Cc5ccccc35)=O	2892
+Clc1cc(cc(Cl)c1Oc2cc(c(Cl)nn2)C(C)C)CC(O)=O	2891
+FC(F)(F)C(O)(c1cc2cnn(c2cc1)-c3ccc(cc3)F)c4c5ncnc(Cl)c5n(CC(CO)O)c4	7767
+FC(F)(F)c1cccc(-c2sc3c(n2)c(C(O)=O)ccn3)c1	4298
+CC(C)NCc1c([N+]([O-])=O)cccc1	87
+c12c(nc(SC)nc1)nc(C)cc2	7768
+CC(C)Nc1c(cc(c(C(OC)=O)c1)C)C#N	231
+Cc1cc2c([N+]([O-])=O)c(Cl)ccc2[nH]1	7769
+CC(C)Nc1ccn[nH]1	1270
+c1nc2N(C(N(C(=O)c2n1C)CCCC(CO)O)=O)C	1886
+COc1ccc(c(I)c1)C=CC(C)=O	964
+Cc1ccc(c(c1)C=CC(C)=O)F	964
+O=S(=O)(c1ccc(cc1)C)n2ccc3c(Cl)c(cnc23)C(=O)O	4298
+c1cc(ccc1)COC(N2C(CC(O)CO)CCCC2C(=O)OC)=O	1951
+c1ccccc1N(CC)CC(O)CO	1951
+c1cc(ccc1-n2c(c(nn2)C(=O)NC3CC3)CCC(CO)O)NC(NCC)=O	1951
+CC(C)NCCCCO	87
+CC1(C)Oc2cc(ccc2O1)C=O	2893
+OC(c1c(cc2OCOc2c1)[N+]([O-])=O)=O	1144
+C(c1cc2c(occ2CCNC(C)=O)cc1)(=O)O	1144
+O1c2c(OC1(C)C)cccc2	2893
+c1ccc2c(c1NC(C)=O)C(=O)CCCC2	3975
+CC(C)NCc1cc(ccc1)-c2cc(ccc2OC)[N+]([O-])=O	87
+CC1(C)CC(=O)c2cc(O)ccc2O1	2003
+CC(C)NC1CCCn2c3ccccc3c(C)c12	87
+CC(C)(O)c1ccc(nc1)Br	1239
+CC(C)(O)c1ncc(cc1)Br	938
+CC(C)(O)c1ccc(nc1)Br	7770
+c1cc(cc(C)c1OC)CCCC(=O)O	2891
+CC1(C)Oc2cc(ccc2C(=O)O1)O	7771
+c1cc(ccc1)C(=O)Oc2cc(C(O)=O)ccc2OC	1144
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCCC(=O)O	4299
+O=S(=O)(C(C(C)(C)O)c1cc(ccc1)OCc2ccccc2)NCc3c(cc(OC)cc3)OC	4300
+c1cc(ccc1OCC2OC(C)(C)OC2)Br	381
+c1cc(ccc1Cl)C(NC(C)C)(C)C(CC=C)c2cc(ccc2)Cl	87
+CC(C)Nc1ccc(cc1)C(C(=O)Nc2ccc(cc2)-c3cc(C)ncc3)C	231
+O1CC(COC1(C)C)c2ccc(cc2)OCc3ccccc3	1526
+c1cc(ccc1NC(C)C)C	231
+CC(C)N1CC2N(CCC2C1)c3ccc(cc3)-c4ccc(cc4)C#N	85
+c1cc(ccc1C#N)Oc2ccc(cc2)C(O)=O	1144
+c1cnccc1-c2cc3N(CCCC)C(C)(C)NC(c3s2)=O	4301
+CC(C)NC(c1ncc(-c2ccccc2)[nH]1)C	87
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCC(=O)O	4299
+c1ccccc1CC(NCCc2c3c(ccc2)ccc(C(=O)O)c3)=O	1144
+c1ccccc1CN2CCC(CC2)NC(C)C	87
+c1ccccc1COC(NC2CCN(C3CCC(NC(C)C)CC3NC(C)=O)C2=O)=O	87
+c1ccccc1COc2c(cc(C(O)=O)cc2F)OC	1144
+c1cc(ccc1)C(S(=O)(=O)NCc2c(cc(OC)cc2)OC)C(C)(C)O	4300
+CC(C)Nc1c(Nc2ccccc2)nccc1	2392
+CC1(C)OB(OC1(C)C)c2cc(OC(C)C)cc(C(C)(C)C)c2	521
+CC(C)n1ncc2c1nc(Br)cc2C(OCC)=O	4302
+CC(C)Oc1cccc(c1)C	521
+CC(C)Oc1cccc2c(nc(nc12)C)Cl	2034
+c1c(F)c(c(cc1C=O)F)OC(C)C	521
+CC(C)n1c2ncnc(N)c2c(n1)I	4302
+COc1cc(cc(OC)c1)C(C(C)C)C#N	3795
+CC(C)Oc1ccc(cc1Br)C(OC)=O	521
+CC(C)Oc1c(Br)c(n(-c2ccccc2)c1C(OCC)=O)Br	2034
+CC(C)n1c2c(nc1)c(NCc3cccnc3)nc(F)n2	2615
+CC(C)Oc1c(Br)ccc2c1c(C)c(C(OCC)=O)o2	521
+CC(C)C#CC(=O)OCC	7772
+c1(Cl)cccc(Cl)c1-n2nnc(C(C)C)c2C(=O)OCC	7773
+CC(C)c1c(c2c(ccc(n2n1)OC)CO)C(OCc3ccccc3)=O	2169
+CC(C)(c1cccc(F)n1)C#N	4178
+c1ccccc1CC(C)(C)C#N	7774
+CC(C)C(Nc1c(cccc1)Cl)=N	4303
+CC(C)C1C(c2c(c(c3oc(cc3c2C1)C(=O)O)C)C)=O	7775
+CC(C)c1nc(-c2ccc(Cl)c(Cl)c2)c(c(n1)O)C#N	4304
+CC(C)C(CC(=O)C(=O)OCC)=O	1135
+CC1(C)c2c(I)cc(cc2N=C1C)I	7776
+CC1(C)c2cc(cnc2N=C1C)Br	7777
+CC(C)(C)OC(Cc1c(C(C)C)noc1C(C)C)=O	7778
+CC(C)c1nn(c(c1)N2CCc3nc(nc(OC)c3C2)-c4c(C)cccc4C)C	7779
+CC(C)C(=O)CC(N1Cc2c(OC)nc(-c3c(C)cccc3C)nc2CC1)=O	7780
+Clc1cccc(Cl)c1CCc2c(c(C(C)C)on2)C(=O)OC	4305
+c1c(Cl)c(c(cc1)Cl)Cc2noc(C(C)C)c2C(=O)OC	4305
+CC(C)C(C(C(=O)OCC)Cl)=O	3667
+c1cc(ccc1Cl)-c2nc(cc(O)n2)C(C)C	4306
+CC(C)c1oc(-c2cc(cnc2N)Br)nn1	3743
+CC(C)C(NNC(c1cc(ccc1)[N+]([O-])=O)=O)=O	3260
+CC(C)c1n2c(nn1)c(ccc2C)C(OC)=O	757
+CC(C)c1nnc2c(C(=O)OC)ccc(Cl)n12	757
+CC(C)c1n2cc(ccc2nn1)F	757
+CC(C)C(=O)Nc1c(cc(C(O)=O)cc1)N	6
+CC(C)C(=O)Nc1c(N)cc(C(OCC)=O)cc1	0
+CC(C)c1n(nnn1)-c2cc(C(OC)=O)cc(-c3ccc(cn3)Cl)c2	4307
+CC(C)C(Nc1c(Oc2c(cc(c(I)c2)OC)C(C)C)cnc(NC(=O)C(C)C)n1)=O	195
+CC(C)C(=O)NNc1ncc(cc1)F	355
+CC(C)C(Nc1cc2cc[nH]c2cc1)=O	33
+CC(C)C(=O)Nc1cccc(Oc2cc(F)cc(Nc3c(F)cc(cc3)I)c2C(N)=O)c1	33
+CC(C)C(c1c(cc(O)cc1)O)=O	214
+CC(C)C(NCCn1c2CCN(Cc2c3cc(ccc13)C)C)=O	9
+CC(C)c1oc2c(n1)cc(cc2-c3ccc(cc3)F)C(OC)=O	1824
+c1cc(ccc1CC(C)(C)C(=O)O)OC	7781
+c1cc(ccc1OC)N(C)c2nc(nc3c2cccc3)CNC(OC(OC(C(C)C)=O)C)=O	3837
+c1cc(ccc1-c2cnc(O)cn2)NC(C(C)C)=O	7782
+CC(C)C(=O)OC1C(Cc2c3ccccc3ccc2)COCC(NC(c4c(O)c(ccn4)OC)=O)C(=O)OC1C	1008
+CC(C)C(=O)OC1C(Cc2c3ccccc3ccc2)COCC(NC(=O)c4c(c(OC)ccn4)OC(C)=O)C(=O)OC1C	4031
+c1cc(ccc1F)CC(C)(C)C(OCC)=O	1161
+CC(C)Cc1c[nH]c2cc(ccc12)Cl	1283
+CC(C)c1noc2ccc(Br)cc12	7783
+CC(C)C(=O)c1cc(ccc1O)OC	5
+CC(C)C(=O)c1c(O)c(Cl)cc(c1)OC	196
+CC(C)C(c1ccc(cc1)CC(C(=O)CC)C(=O)OCC)=O	1251
+CC(C)C(=O)c1ccc(cc1)Cc2c(CC)nc3c(ccc(OCC(=O)OC)c3c2OC(F)F)Cl	1548
+CC(C)C(=O)c1ccc(cc1)Cc2c(OC(F)F)c3c(ccc(c3nc2CC)Cl)OCC(O)=O	4
+CC(C)C(=O)c1c(cc(cc1)OC)OCC(OCC)=O	52
+CC(C)C(c1ccc(C#N)nc1)=O	1704
+CC(C)C(Oc1cccc2c1cc(C)n2Cc3ccccc3)C(=O)OCC	289
+CC(C)C(C(=O)NC(C(=O)Nc1ccc(cc1)CO)C)NC(OCC=C)=O	33
+c1cc(ccc1I)NC(=O)C(C(C)C)C(=O)O	3503
+c1cc(ccc1-c2ccc3c(C(=O)N(C(C(=O)OC)C(C)C)C3)c2)NC(c4c(F)ccc(c4F)C)=O	50
+c1cc(ccc1-c2ocnc2)C(=O)Nc3ccc(cc3)-c4ccc5c(C(=O)N(C(C(=O)OC)C(C)C)C5)c4	3782
+CC(C)C(C(OC)=O)NC(=O)N(Cc1csc(n1)C(C)C)C	468
+c1cc(ccc1-c2ccc(cc2)CO)S(=O)(=O)NC(C(C)C)C(=O)OC	11
+CC(C)c1sc(N)nc1C(=O)OCC	7784
+CC(C)C(C(C)C)(OOC(CN=[N+]=[N-])COS(=O)(=O)C)P(O)(O)=O	7
+CC(C)C(C(C)C)(OOC(CN=[N+]=[N-])CO)P(O)(O)=O	118
+CC(C)C(C(N(CCC)C(CC(c1nc(cs1)C(=O)O)O)C(C)C)=O)NC(=O)C2N(CCCC2)C	1
+CC(C)C(C(N1C(C(=O)OCC(=O)c2cc3COc4cc5C(=O)CCCc5cc4-c3cc2)CCC1C)=O)NC(=O)OC	1231
+C1CC(=O)N(C1=O)OC(C(C(C)C)NC(=O)OCC=C)=O	884
+c1ccccc1COC(NC(C(C)C)C(C(O)=O)O)=O	101
+c1cc(ccc1-c2cc3CN(C(c3cc2)=O)C(C(OC)=O)C(C)C)N	0
+CC(C)c1scc(CN(C)C(=O)NC(C(C)C)C(=O)O)n1	4
+CC(C)c1nc(N)sc1	1102
+CC(C)c1cc(n(-c2cc3scnc3cc2)n1)N	4030
+CC(C)c1onc(c1)C(=O)OCC	3429
+CC(C)C(CN)CC(=O)Nc1cc(Cl)c(cc1)C#N	157
+CC(C)C(c1cc(C)ccc1OC)CCC(N)=O	527
+CC(C)C(CNC(c1ccc2c(C(N(C(N2CC)=O)CC)=O)c1)=O)CC(=O)Nc3ccc(C#N)c(Cl)c3	14
+CC(C)C(NCc1c(cccc1)N)CN2CCC(CC2)Cc3cc(c(Cl)cc3)Cl	0
+C1CCN1CC(C(C)C)N(C(=O)c2ccc(cc2)Cl)CC	30
+c1ccccc1COC(=O)NCCc2oc(C(C)C)cn2	7785
+CC(C)c1c2c(NC(=O)C(O2)C(C)C)ccc1	7786
+CC(C)C1COCC(=O)N1	7787
+FC(F)(F)c1c(ccc(-c2cccc(n2)CNC(CO)C(C)C)c1)F	294
+CC(C)C(C=O)N(C(=O)c1ccc(F)c(C)c1)C	24
+CC(C)C(CO)N(C)C(=O)c1ccc(F)c(C)c1	115
+c1ccccc1COC(NC(Cc2cn(CC=C)cn2)C(=O)NC(C(C)C)COCC=C)=O	9
+CC(C)C(N)Cc1cc(c(F)c(OCCCOC)c1)F	316
+CC(C)C1N=Cc2c(cc(c(F)c2F)OCCCOC)C1	2742
+CC(C)C(=O)Nc1nc(N)c(Oc2cc(I)c(cc2C(C)C)OC)cn1	784
+CC(C)C(N1CC(C)c2c1cc(C)c(O)c2C)=O	192
+CC(C)C(=O)c1c2ccc(Cl)cc2[nH]c1	432
+CC(C)C(=O)Nc1cc(cc(c1)-c2ccc(cn2)Cl)C(OC)=O	26
+FC(F)c1c(cc(cn1)CNC(=O)C(C)C)C(=O)OCC	68
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C)Cc4n[nH]c5c4cc(cc5)OC(=O)C(C)C	385
+CC(C)C(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	68
+c1cc(ccc1)-c2nc(oc2-c3cnc(NNC(=O)C(C)C)cc3)C	1296
+c1cc(ccc1C#N)-c2cncc3C(CCCc23)NC(=O)C(C)C	68
+c1cc(ccc1C)-c2cc(cc(NC(=O)C(C)C)c2)C(=O)OC	26
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(=O)OC)NC(C(C)C)=O	26
+CC(C)C(OC(CC)COc1ccc(cc1)CC)=O	204
+CC(C)C(=O)c1cc(OC)ccc1OC	94
+CC(C)c1nnc2ccc(Cl)nn12	7788
+CC(C)c1n(Cc2ccccc2)c3cc(ccc3c1C(NCc4cc(F)c(cc4)F)=O)OC(C(C)C)=O	385
+CC(C)C(=O)N(Cc1c2ccccc2nc(O)c1)c3ccccc3	192
+C1CC(CCC1)Cn2c3c(cc(cc3)NS(=O)(=O)c4ccccc4)nc2C(C)C	849
+FC(F)Oc1ccc2nc(C(=O)NC(C(N)=O)(C(C)C)C)c(cc2c1)C(=O)O	7789
+Fc1cccc(F)c1S(=O)(=O)Nc2c(ccc(-c3nc(sc3-c4nc(Cl)ncc4)C(C)C)c2)F	873
+CC(C)c1nc(-c2cccc(NC(=O)OCC=C)c2)c(s1)-c3nc(ncc3)Cl	873
+c1c(F)c(c(cc1)F)C(=O)Nc2cccc(-c3c(sc(C(C)C)n3)-c4ccnc(n4)Cl)c2	873
+CC(C)C(N)CN1CCC1	15
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(=O)Nc4c(C(O)=O)c(ccc4)C)C(C)C	1403
+c1cc-2c(cc1)C(c3ccccc-23)C(NCC(NC(C(=O)Nc4cccc(c4C(O)=O)C)C(C)C)=O)=O	207
+CC(C)C(NC(=O)CCCCCCCCCCC)C(=O)O	726
+FC(F)(F)c1ccc(cc1)NC(C(=O)O)C(C)C	7790
+CC(C)C(C(O)=O)NC(OCC=C)=O	544
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C(=O)O	544
+c1cc(ccc1F)S(=O)(=O)NC(C(=O)O)C(C)C	592
+c1cc(ccc1-c2ccc3CN(C(=O)c3c2)C(C(=O)OC)C(C)C)[N+]([O-])=O	1880
+CC(C)C(C(=O)OC)NC(Oc1ccc(cc1)[N+]([O-])=O)=O	544
+c1cc(ccc1[N+]([O-])=O)-c2cc(C)c(C(=O)NC(C(OC)=O)C(C)C)cc2	259
+CC(C)C(NC(=O)Oc1ccccc1)C(=O)OC	544
+CC(C)C(Cc1cc(F)c(c(OCCCOC)c1)F)NC=O	707
+CC(C)C(N1CC(c2c1cc(c(OC)c2C)C)C)=O	65
+CC(C)C(N1CCC(CC1)CBr)=S	199
+C1CN(CCC1Oc2c(c(N)ccc2)C#N)C(C(C)C)=O	57
+CC(C)C(C(=O)O)N1CCCCC1=O	4
+FC1(F)CC(CC1)NC(=O)C(N2Cc3c(F)cnc4[nH]cc(C2=O)c34)C(C)C	9
+CC(C)C(C(N1C(C)CCC1C(O)=O)=O)NC(=O)OC	3
+C1COC2(O1)CN(C(C(=O)OC)C2)C(=O)C(C(C)C)NC(=O)OC	381
+CC(C)C(NC(=O)OC)C(N1CC2(OCCO2)CC1C(NCC(c3ccc(cc3)Br)=O)=O)=O	612
+c1cc(ccc1-c2nc([nH]c2)C3N(C(C(NC(=O)OC)C(C)C)=O)CC(C)C3)Br	10
+c1cc(ccc1Cl)-c2cccc(NC(=O)C3CCCN3C(=O)C(NC(=O)OC)C(C)C)c2	348
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)OC2CCC(CC2)C(=O)OCI	7791
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)OC2CCC(CC2)C(=O)OCCl	7792
+CC(C)C(C(OC)=O)NC(N(C)Cc1ncccc1)=O	437
+CC(C)C(N1CCCCC1=O)C(OC)=O	7793
+CC(C)C(NC1CCCCC1Oc2cccc(N)c2C#N)=O	57
+CC(C)C(NCCCOc1cc2c(cc1)c3c(c(n2)N)nc(CCO)n3CCC)=O	88
+CC(C)C(NCc1c(c(Cl)cnc1)CO)=O	168
+CC(C)c1nnc(-c2cc(ccc2)[N+]([O-])=O)o1	877
+CC(C)c1nc2c([nH]1)c(Cl)ccc2	7794
+CC(C)C1(CCN(C(O1)=O)C(c2ccc(cc2)Br)C)CC(=C)C	7795
+CC(C)n1cnc2c(nc(NC(CC)C(C(C)C)O)nc12)NCc3cccnc3	1333
+CC(C)C(O)CNC(CCNC(=O)OCc1ccccc1)=O	9
+CC(C)C(CNC(CCNC(=O)OCc1ccccc1)=O)=O	86
+CC(C)C(=O)c1cc(Br)ccc1O	155
+CC(C)C(c1cc(C)c(cc1OCC(=O)OCC)OC)O	52
+CC(C)C(=O)c1cnc(cc1)Br	716
+CC(C)C(=O)NCCN	248
+c1ccccc1CCCCCCC(C)(C)C(OC)=O	3675
+CC(C)Cc1c(O)cc(cc1)O	165
+CC(C)C(=O)c1ccc(cc1O)OC	65
+CC(C)C(c1cc(C)ccc1OC)CCC(=O)O	4308
+CC1(C)C(Nc2c(C(OC)=O)cc(cc2C1O)Cl)c3cccc(c3)Br	7796
+CC(C)C(c1cc(c(NC)cc1)[N+](=O)[O-])=O	205
+CC(C)C(c1ccc(c(c1)[N+]([O-])=O)NC)n2cncc2	4309
+CC(C)C(c1cc([N+]([O-])=O)c(cc1)NC)O	74
+CC(C)c1c2cc(ccc2[nH]n1)O	4310
+CC(C)C(=O)c1ccc(cc1)Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O	2175
+FC(F)(F)c1[nH]c2c3c(C(C(=C(C(C)C)O3)c4ccc(cc4)Cl)=O)ccc2n1	1640
+CC(C)C=1Oc2c3c(ccc2C(=O)C=1c4ccc(cc4)Cl)[nH]cn3	631
+CC(C)c1c(nc(SC)nc1O)C	4311
+CC(C)C1=CCC(C)(C)c2c(c(c(cc12)C(C)=C(F)C=CC(C)=CC(=O)OCC)OC(C)C)Br	7797
+CC(C)C1=CCC(C)(C)c2c(c(c(cc12)C(=C(F)C=CC(=CC(=O)O)C)C)OC(C)C)Br	108
+CC(C)C1=CCC(C)(C)c2c(Br)c(OC(C)C)c(C(C)=C(C=O)F)cc12	4312
+CC(C)C1=CCC(C)(C)c2c1cc(C(=C(CO)F)C)c(c2Br)OC(C)C	4313
+FC(F)(F)Oc1ccc(cc1-c2cc3c(C(C)(C)CC=C3C(C)C)cc2C)C=O	11
+CC(C)C=1N(c2ccc(cc2)Cl)C(c3ccc(cc3N=1)N)=O	0
+CC(C)C1Oc2c(N(CC(O)=O)C1=O)cccc2C(C)C	4
+CC(C)C1C(CC(CC1)C)C(=O)NCCc2ccccc2C#N	180
+CC(C)C1CCC(CC1C(Cl)=O)C	130
+c1ccccc1C=2N(C(=O)C(N(C(C)=O)C=2)C(C)C)CC(O)=O	3
+CC(C)C1C2C3C(C1CC2)CCCC3NC(=O)c4c(F)n(nc4C(F)F)C	4314
+CC(C)C1CCCC(C1)C(C)C(C=O)C	7798
+C1CN(CCC1C(O)=O)Cc2cc3ccc(OC4CCC(CC4)C(C)C)cc3cc2	3
+c1cc(ccc1)C(O)CNC(C2C(CCC(C)C2)C(C)C)=O	68
+CC(C)C1CN(c2nnc(N)cc2)CCN1C(=S)Nc3cccc4c3cccn4	1366
+CC(C)C1COC(=O)N1c2nc(ncc2)NC(c3ccc(cc3)CO)C	1333
+c1cc(ccc1C(Nc2nccc(N3C(COC3=O)C(C)C)n2)C)C=O	39
+CC(C)C1COCCN1	15
+CC(C)C1N2C(c3c(cc(OCCCOC)c(F)c3F)C1)CC(=O)C(=C2)C(=O)OCC	2745
+c1cc(ccc1)CN2C(C)(C)C(NC(C2)C(C)C)=O	1330
+c1cc(ccc1CNc2ccc(nn2)N3CCNC(C(C)C)C3)OC	232
+CC(C)C1NCCN(c2ccc(nn2)Cl)C1	212
+c1cc(ccc1CN2CC(OCC2)C(C)C)Br	131
+c1cc(ccc1OC)CNc2cc(cc(F)c2)CN3C(C(=O)c4cc(C#N)cc(c4)C)=C(C(C)C)C(=O)NC3=O	7799
+CC(C)c1c(C)nc2ccnn2c1Cl	7800
+CC(C)c1cc(O)cc(O)n1	4315
+CC(C)C1=C(C(=O)c2c(c(c(N)cc2)N)O1)c3ccc(cc3)Cl	0
+CC(C)C=1Oc2c(C(=O)C=1c3ccc(cc3)Cl)ccc(NC(OCc4ccccc4)=O)c2Br	7801
+CC(C)C=1Oc2c(C(C=1c3ccc(cc3)Cl)=O)ccc(N)c2[N+]([O-])=O	4316
+CC(C)C=1Oc2c(c(ccc2C(=O)C=1c3ccc(cc3)Cl)NCc4ccc(cc4)OC)[N+]([O-])=O	7802
+CC(C)C=C(c1ccc(cc1)S(=O)(=O)CCOC)c2cc3c(n2S(=O)(=O)c4ccccc4)ncc(F)c3	7803
+C1CN(CCN1CC(C)C)c2ccccc2C3=CC(C)(C)C(C)(C)C3	61
+CC(C)C(c1cc(Cl)cc(C(OC)=O)c1N=Cc2cc(Br)ccc2)O	1512
+FC(F)(F)c1c(C(C(C)C)O)c(ncc1)Cl	1831
+CC(C)(C=O)CCC#N	7804
+CC(C)CNc1cc(ccc1NC(=O)COc2cc(ccc2)OCC)O	291
+CC(C)CNc1ccc(C)cc1C	291
+CC(C)C(O)c1ccc(Br)nc1	7805
+c1cc(ccc1C#N)-n2c3c(c(NCC(C)C)ccc3)nc2	839
+c1cc(ccc1C(=O)NC)-n2cc3c(CCN(CC(C)C)CC3)n2	61
+CC1(C)C(Nc2ccc(cc2C1O)C(=O)OCC)c3c(C)ccc(F)c3	2894
+CC1(C)C(O)c2c(ccc(C(=O)OCC)c2)NC1c3cccc(c3)Br	2894
+O=S(=O)(c1cc2C(C(C)(C)C(Nc2cc1)c3cc(ccc3)[N+](=O)[O-])O)C	2894
+CC(C)CC1CSC(=Nc2c(C)cc(cc2)Cl)N1CC(C)C	7806
+CC(C)COc1cc(ccc1)OCc2nc3ccccc3n2CC(C)C	656
+CC(C)CN1C(N(CC1)c2nc(c(s2)C(OCC)=O)C)=O	1794
+C[Si](C)(C)CCOCn1c2C(N(C(Cl)=Nc2nc1C3CCCC3)CC(C)C)=O	7807
+CC(C)COc1c(cc(Cl)cc1)C	8
+CC(C)COc1c(cc(Cl)cc1)Cc2oc(C(=O)OCC)cc2	8
+CC(C)CON=C(C(=O)C)C(OCC)=O	1071
+CC(C)COc1c(OC)c(OCC)ccc1-c2ccc3C(=O)OCc3c2	8
+CC(C)COc1cc(OCC)cc(CO)c1	8
+CC(C)COc1cc(ccc1)O	8
+CC(C)Cn1c2c(cc(cc2)OC)cn1	1090
+CC(C)COc1ccc(Br)cc1C#N	8
+CC(C)Cn1c2cc(Cl)cc(c2c3c1cccc3)C	935
+CC(C)COC(c1cc(ccc1)-n2c3ccc(cc3cn2)I)=O	1908
+c1ccccc1C2(c3ccccc3)CCCN(C2=O)Cc4onc(-c5ccc(cc5)OCC(C)C)n4	8
+CC(C)CC(=CCCC(CC)=CCOc1cc2c(OCO2)cc1)C	2888
+c1cc(ccc1F)-c2nc(CC(=O)OCC)c(CC(C)C)o2	7808
+CC(C)CC(CCC)N	316
+c1cc(ccc1C(=O)NCC(CC(C)C)=O)F	2895
+Cc1nc(nc(C)c1)NCCCCCN(C(=O)CCCCCCCCCCCCC)CCCNC(=O)CC(C)C	68
+c1(nc(nc(N)c1NC(CC(C)C)=O)-n2nc(Sc3ccccc3F)c4c2cccc4)N	1616
+CC(C)CC(=O)N1CC(CCC1)COc2c(C#N)c(ccc2)[N+](=O)[O-]	58
+CC(C)CC(c1c2c(sc1-c3ccc4c(Br)c(ccc4c3)OCC#N)cccc2)=O	1487
+CC(C)CC(=O)c1cc2cc(oc2c(C)c1C)C(=O)O	94
+CC(C)CC(Nc1c(C(=O)N)nc2ccccc2n1)=O	1841
+CC(C)CC(=O)N1CC(COc2c(C#N)c(N)ccc2)CCC1	0
+O=S(=O)(N)Nc1cccc(OCC2CN(C(CC(C)C)=O)CCC2)c1C#N	1630
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NC(CC(C)C)c3ccc(C(=O)OC)cn3	7809
+CC(C)Cc1scc(C(OCC)=O)n1	4317
+c1ccccc1C(c2cc(c(cc2O)OC(CC(C)C)C)C(C)(C)CC)=O	521
+O=S(=O)(N1C(CSCC1)CCNC(=O)C(NC(=O)c2cc3ccccc3s2)CC(C)C)c4c(cc(cc4)Cl)Cl	92
+CC(C)CC(C(=O)Nc1nn(cc1)CC(CO)O)N2C(=O)C=C(C2)Oc3c(c(OCC)ccc3F)F	265
+CC(C)CC(C(O)=O)C(O)=O	3
+CC(C)CC(C(=O)Nc1ccn(CC2OC(C)(C)OC2)n1)N3C(=O)C=C(C3)Oc4c(c(OCC)ccc4F)F	142
+c1ccccc1C2C=CCC(NC(=O)C(NC(=O)C(O)CC(C)C)CC(C)C)C(=O)N2CCOC	207
+CC(C)CC(C(=O)NCC#N)NCc1ccc(cc1)Br	9
+CC(C)CC(C(O)=O)Nc1c(F)c2CN(Cc3ccc(OC)cc3OC)C(=O)c2c(Cl)n1	4
+CC(C)CC(C(O)=O)c1c(cc([N+]([O-])=O)c(F)c1)F	3
+CC(C)CC(c1nc(sc1)-c2ccccc2)C(=O)O	3
+c1cc(ccc1)COC(C(CC(C)C)C(=O)OCC=C)C(=O)OC	1907
+CC(C)CC(C(=O)OCC)c1csc(-c2ccccc2)n1	7810
+CC(C)CC(CC(=O)NOCc1ccccc1)C(NC2Cc3c4c(cccc4)n(c3)CCCCCCNC2=O)=O	293
+c1ccccc1COC(N2CCCC(NC(C(NC(c3cc4c(cccc4)o3)=O)CC(C)C)=O)C(O)C2)=O	1585
+O=S(=O)(N1CC(CNC(C(CC(C)C)NC(c2cc3ccccc3s2)=O)=O)C(O)C1)c4ccc(cc4Cl)F	92
+CC(C)CC(C(=O)Nc1ccc(-c2ocnc2)c(c1)OC)Br	33
+CC(C)CC(=C)C(O)=O	3620
+O(C)C(OC)CNC(=O)C(CC(C)C)CSC(C)=O	9
+CC(C)CC(O)C(=O)O	2631
+CC(C)CC(Nc1ccc(cc1)Br)C(O)=O	2012
+CC(C)CC(NC(=O)c1cc2ccccc2s1)C(NCCCC(NS(=O)(=O)c3c(cc(cc3)F)Cl)CO)=O	9
+CC(C)CC(NC(=O)c1cc2ccccc2s1)C(NCCCN(S(=O)(=O)c3ccccc3[N+]([O-])=O)C)=O	9
+CC(C)CC(Nc1c(c2c(c(-c3cnn(C)c3)n1)C(N(Cc4ccc(OC)cc4OC)C2)=O)F)C(O)=O	1396
+CC(C)CC(C(=O)OCC)c1cc(c([N+]([O-])=O)cc1F)F	27
+CC(C)CC(NC(OCc1ccccc1)=O)C(CC(=O)NC(C)C(NC(C(O)CC(=O)OC)CC(C)C)=O)O	9
+CC(C)CC(C(O)=O)C(CCC)O	4
+c1cc(ccc1)CCC(C(NC)=O)NC(=O)CC(CC(C)C)C(OC)=O	207
+Fc1cccc(F)c1COc2cccn3c2nc(C)c3C(=O)NCC(CC(C)C)(N)C	312
+CC(C)CC(C)NCCCCCCCCCCCC	87
+CC(C)CC(C)Nc1ccc(cc1)OCC	231
+c1ccccc1COC(=O)NC(C=C)CC(C)C	4318
+CC(C)CC(CC(=O)NO)C(=O)NC1Cc2c3c(cccc3)n(c2)CCCCCCNC1=O	1697
+CC(C)CC(CCC)NC(=O)c1cc(C)c(OC)cc1	14
+CC(C)CC1CSC(=Nc2c(cc(cc2)Cl)C)N1	7811
+CC(C)CC(CO)Nc1c2cc(cn2ncc1C(=O)N)Br	719
+CC(C)CC(CO)NC(c1cc(Br)c(Cl)nc1)=O	56
+CC1(C)OCC(CC(C)C)N1C(c2cc(Br)c(nc2)Cl)=O	7812
+CC(C)CC(CO)Nc1c(cnn2cc(cc12)-c3cc(N(C)C)ccc3)C(=O)N	550
+CC(C)CC(C(=O)NC)NC(C(CC(C)C)CP(CN1C(CCCC1=O)=O)(=O)O)=O	228
+CC(C)CC(Cc1c(cccc1)Br)C(NCC#N)=O	9
+c1cc(ccc1F)Cc2c(C3CC3)ccc(n2)C(NC(C(N)=O)CC(C)C)=O	712
+CC(C)CC(NC(C(O)CC(C)C)=O)C(OC)=O	188
+CC(C)CC(C(=O)OC)NC(=O)c1c(cc([N+]([O-])=O)cc1)-c2c(C)cccc2	259
+FC(F)(F)c1cccc2c1CN(C2=O)C(C(OC)=O)CC(C)C	1880
+CC(C)CC(N1CC(=CC1=O)Oc2c(c(OCC)ccc2F)F)C(=O)OC	2546
+CC(C)CC(N1C(=O)C=C(Oc2cccc3c2cccc3)C1)C(=O)OC	2546
+c1cc(ccc1Br)CNC(CC(C)C)C(OC)=O	1528
+c1ccccc1COC(NC(C(NC(CC(C)C)C(=O)OC)=O)CC(=O)N)=O	188
+CC(C)CC(N1CC(=CC1=O)Oc2cccc3c2cccc3)C(=O)O	4
+CC(C)CC(C(=O)O)N1C(=O)C=C(Oc2c(c(OCC)ccc2F)F)C1	4
+CC1(C)OC(CO1)Cn2nc(cc2)NC(=O)C(N3CC(=CC3=O)Oc4cccc5c4cccc5)CC(C)C	142
+C1CC1c2nc(-c3cc(NC(=O)NCC)ncc3-c4ccc5c(c4)C(=O)C(C(=O)OCC)=CN5C(CC(C)C)CO)sc2	1617
+CC(C)CC(C(NN(C(=O)C(O)(C)C(=O)OCC)C)=O)NC(C(C)NC(C(C)NC(C)=O)=O)=O	1038
+O=S(=O)(c1ccc(cc1Cl)C#N)N(CCCNC(=O)C(NC(=O)c2cc3ccccc3s2)CC(C)C)C	92
+c1ccccc1COC(NC(CC#C)C(=O)NC(CC(C)C)C(=O)OC)=O	1403
+CC(C)CC(C(=O)O)NC(C(CC(C)C)O)=O	4
+CC(C)CC(C(O)CC(=O)OC)NC(C(NC(CC(C(N)CC(C)C)O)=O)C)=O	102
+O=S(=O)(c1cnccc1)N2CC(C(NC(=O)C(NC(c3cc4c(cccc4)o3)=O)CC(C)C)CCC2)O	1027
+c1ccccc1C(=O)N2CCCC(NC(C(NC(c3cc4c(cccc4)o3)=O)CC(C)C)=O)C(C2)O	30
+CC(C)Cc1nc(c2nc3ccccc3nc2n1)O	7813
+CC(C)CC(Nc1c(F)c2c(c(-c3cnn(C)c3)n1)C(NC2)=O)C(NC)=O	4319
+CC(C)CC(Nc1c(F)c2CN(Cc3ccc(OC)cc3OC)C(=O)c2c(n1)-c4cnn(C)c4)C(=O)NC	9
+CC(C)CC(C(=O)NCC#N)Nc1ccc(cc1)Br	9
+O=S(=O)(n1c2ccc(-c3nnc(o3)CC(C)C)cc2c(I)c1)c4ccc(cc4)C	7814
+c1ccccc1C(CC(C)C)=O	214
+c1ccccc1COC(C(CC(C)C)O)=O	1699
+CC(C)CC(Sc1ccc(cc1)Br)c2ccc(cc2)C(=O)O	1
+FC(F)(F)Oc1ccc(cc1)-c2ccc(cc2)SC(c3ccc(cc3)C(NCCC(=O)OC)=O)CC(C)C	11
+FC(F)(F)C(F)(F)c1ccc(N)c(C(CC(C)C)C)c1	7815
+CC(C)CC(c1c2c(sc1-c3cc4ccc(c(c4cc3)Br)OCc5[nH]nnn5)cccc2)=O	420
+CC(C)Cc1c2c(n[nH]1)ccc(c2)O	4310
+FC(F)(F)c1ccc(cc1)-c2cc(C(C(=O)OCC)CC(C)C)ccc2OCC	11
+CC(C)CC(c1cc(c(OCC)cc1)Br)C(=O)OCC	116
+CC(C)CC(c1c(N)ccc(I)c1)C	184
+CC(C)CC(c1csc(n1)-c2ccccc2)C(=O)NCC#N	9
+c1cc(ccc1OCC2(CC(C)C)Oc3c(c(C)c(OC(C)=O)c(C)c3C(=O)C2)C)N	0
+CC(C)CC12CC1CC(C(C)O)C(C2)C	4320
+CC(C)CC1C(N(CC(c2c1ccc(c2)Cl)c3c(cccc3)Br)CC(=O)O)=O	3
+CC(C)CC1C(N(CC(N2CCC(CC2)CC(O)=O)=O)CC(c3ccccc3Cl)c4cc(Cl)ccc14)=O	3
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(=O)N3CCC(CC3)C(=O)O)c4c(cccc4)Br	3
+CC(C)CC1C(N(CC(c2cc(Cl)ccc12)c3c(cccc3)Cl)CC(=O)O)=O	3
+CC(C)CC1=CCC(C(O)C)C(C1)C	2700
+CC(C)CC=CC(=O)Cl	7816
+CC(C)CCNCc1cccc2c(cccc12)OC	110
+c1cc(ccc1[N+]([O-])=O)CN(C2CCN(CC2)CCC(C)C)C(=O)c3ccc(cc3)CCCCC	61
+c1cc(ccc1)S(=O)(=O)n2c(cc3cc(cnc23)F)C(CC(C)C)O	7817
+FC(F)(F)C(c1cn(CCC(C)C)c2c1ccc(Cl)c2)=O	339
+CC(C)CCOc1ccc(N)c(c1)[N+](=O)[O-]	8
+CC(C)CCN1C(C(CC(=O)OC)Cc2ccccc12)=O	988
+CC(C)CCN1c2c(C3(COc4c3cc(F)c(F)c4)C1=O)cccc2	988
+CC(C)CCC(C(O)C)CO	95
+CC(C)CCCC(CC(C)=O)C	86
+CC(C)CCCC(C)CC(C)O	684
+c1cc(ccc1C)S(=O)(=O)OCCCC=C(CCCC(CCCC(C)C)C)C	36
+CC(C)CCCC(CCCC(=CCCCO)C)C	95
+CC(C)CCCC(CCOCCCCn1cncc1)C	541
+c1c(F)c(c(cc1OCCC(C)C)F)-c2c(C(=O)c3ccc(cc3Cl)F)c(nn2C)C	116
+CC(C)CCNCc1cc(F)c(Oc2cc3c(cc2)C(OC(C)(C)O3)=O)cc1	42
+FC(F)(F)c1ccc(cc1C(N2CCN(CC2)c3ccc4nc(C(=O)NCCC(C)C)cn4n3)=O)F	2588
+CC(C)CCNC(CN1C=CC=C(C1=O)NC(=O)OCc2ccccc2)=O	9
+c1cc(ccc1)OC(NCCC(C)C)=O	101
+CC(C)CCN1C2C(C3CCC2C3)C(O)=C(C4=NS(=O)(=O)c5cc(ccc5N4)NS(=O)(=O)C)C1=O	7818
+CC(C)CCN(CCC(C)C)C(=O)c1ccc(c(c1)NCCCN2CCCCC2)N	0
+CC(C)CCN1C(=O)C(=C(O)c2n1cc(F)c2)C=3NS(=O)(=O)c4cc(ccc4N=3)NS(=O)(=O)C	7819
+CC(C)CCN1C(=O)C(=C(O)c2n1cc(F)c2)C=3NS(=O)(=O)c4cc(I)ccc4N=3	4321
+O=S1(=O)c2cc(Cl)ccc2NC(=N1)C3=C(c4c(cccc4)N(CCC(C)C)C3=O)O	7820
+CC(C)CCN1C(C(C=2NS(=O)(=O)c3cc(ccc3N=2)NS(=O)(=O)C)=C(O)c4cc(cn14)C#N)=O	4321
+CC(C)CCN1c2ccccc2CC(C1=O)CC(=O)NO	909
+CC(C)CCN1C2C(C3CCC2C3)C(=C(C=4Nc5c(S(=O)(=O)N=4)cc(cc5)N(S(=O)(=O)C)C)C1=O)O	418
+FC(F)(F)CC(C(=O)N1CCN(CC1)c2nnc(cc2)C(=O)NCCC(C)C)C	10
+c1ccccc1OC(=O)Nc2cc(ccn2)Oc3cc4c(cc3)n(C(NCCC(C)C)=O)cc4	278
+FC(F)(F)c1ccc(cc1)-c2nc(sc2)NCCC(C)C	354
+CC(C)CCNC(=O)CN1C=CC=C(N)C1=O	1849
+CC(C)CCNC1CC2(C(CCC2C3C1C4(CC(O)C(O)CC4CC3)C)C(OC)=O)C	7821
+CC(C)CCN(Cc1nc2n(cccc2)c1Cc3c(O)ccc(Br)c3)C(c4c(Cl)c(OC)c(cc4)OC)=O	115
+CC(C)CCNCc1c2c(c(ccc2)Oc3ccc(cn3)C#N)ccc1	136
+CC(C)CCNCc1c2cccc(O)c2ccc1	5
+CC(C)CCNCc1c(n2c(n1)cccc2)Cc3cc(ccc3O)Br	5
+c1cccc2nn(nc12)-c3cc(C)cc(c3O)COCCC(C)C	555
+c1(c2c(ccc1O)cccc2)N=Nc3ncccc3OCCC	7822
+c1(cc2c(cc1Br)cnn2C(=O)C)F	4322
+C(=O)(C)n1ncc2c1ccc(c2CC)Br	4322
+c1cc(cc(c1Oc2cc3c[nH]nc3cc2)C#N)F	4323
+c1([N+]([O-])=O)ccc(Oc2cc3c[nH]nc3cc2)nc1	4323
+c1cc(ccc1C(=NO)C#N)F	7823
+CC(C)CCOc1ccc(c(c1)N)NC(COc2cccc(c2)OC)=O	0
+CC(C)CCOc1cc([N+]([O-])=O)c(NC(=O)COc2cccc(c2)OC)cc1	26
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(ccc(OCC(N(CC)CC)=O)c2)CCC(NS(=O)(=O)CCC(C)C)=O	344
+CC(C)CCS(=O)CCCCCCl	441
+c1ccccc1C=CCN2CCC(CC2)NC3=CC(Oc4ccc(cc34)CCC(C)C)=O	4324
+CC(C)CCn1c2cccc(CCl)c2nc1CN3C(=O)N(C(C)C)c4ccccc34	1045
+CC(C)CCn1c(CCl)nc2c1ccc(C(=O)OC)c2	2176
+CC(C)CCn1c(CO)nc2cc(C(=O)OC)ccc12	47
+CC(C)CCn1c(nc2cc(ccc12)C#N)CN3C(N(c4ccccc34)C(C)C)=O	2597
+CC(C)CCn1c2ccc(C(=O)O)cc2nc1CN3C(N(c4ccccc34)C(C)C)=O	872
+CC(C)CCn1c(CN2C(=O)N(C(C)C)c3ccccc23)nc4c(CO)cccc14	295
+CC(C)CCn1c2c(cc(C(N(C)C)=O)cc2)nc1CN3C(N(c4ccccc34)C(C)C)=O	30
+CC(C)CCn1c2c(nc1CN3C(=O)N(C(C)C)c4ccccc34)c(ccc2)CCN	51
+CC(C)CCn1c2cccc(CC#N)c2nc1CN3c4ccccc4N(C3=O)C(C)C	1716
+CC(C)CN1C(Cl)=CC(N(C1=O)C)=O	7824
+CC(C)CN1C(OC(=O)c2ccccc12)=O	4325
+CC(C)CC1C(=O)N(CC(=O)OCC)CC(c2cc(ccc12)Cl)c3c(cccc3)Br	4326
+CC(C)CC1c2ccc(Cl)cc2C(c3c(cccc3)Cl)CN(CC(=O)OCC)C1=O	4326
+c1cc(ccc1F)-c2n(nc(C(=O)OCC)c2)CC(C)C	1717
+CC(C)CN1c2c(ncn2C3OCCCC3)-c4nncn4C1=O	7825
+CC(C)CNc1ccc(C)cc1C	205
+CC(C)CNC(Nc1cc(nn1C)C(=O)OC)=O	7826
+Clc1cccc(Cl)c1COc2ccc3c(cc(C(NCC(C)C)=O)n3CCCC#N)c2	81
+CC(C)CNc1c(cnc(Cl)n1)Br	40
+CC(C)CNCc1sc(nc1)Br	7827
+CC(C)CN1C(=S)NC=C1CO	4327
+CC(C)CN1C(=O)Cc2cc([N+]([O-])=O)ccc12	1611
+CC(C)CNc1c([N+](=O)[O-])cc(cc1)C(=O)C	60
+CC(C)(C(NCC(C)C)=O)c1ccc(cc1)-c2cc(cnc2)COC	9
+CC(C)CNC(=O)c1c(nccc1)Oc2ccc(cc2)Nc3ccccn3	2896
+CC(C)CNS(=O)(=O)c1ccc(cc1)OC	71
+CC(C)Cc1c2c(cccc2)ncc1[N+](=O)[O-]	7828
+CC(C)CNCc1cc2[nH]c(-c3c(OC(C)C)ccc(OCc4ccccc4)c3)nc2nc1	249
+CC(C)CNc1c2n(c3c(cccc3)n1)c(Br)cn2	3829
+CC(C)CNCc1oc(cc1)Br	3887
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc(c(c1)NCCCN2CCCCC2)N)=O	0
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc(c(NCCCN(C)C)c1)N)=O	0
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc([N+](=O)[O-])c(c1)NCCCN(C)C)=O	205
+CC(C)CN(CC(C)C)c1c(cc(-c2c(-c3[nH]nnn3)cccc2)cc1)NC(=O)Nc4ccc(cc4)C	11
+CC(C)CN(CC(C)C)c1ccc(cc1[N+](=O)[O-])C(C(F)(F)F)O	714
+CC(C)CN(CC(C)C)c1ccc(cc1N)Br	0
+CC(C)CN(CC(C)C)c1c(cc(cc1)C2(CC2)C(O)=O)[N+]([O-])=O	270
+CC(C)CN(CC(C)C)c1c(cc(Br)cc1)NC(=O)Nc2ccc(cc2)C	124
+CC(C)CN(CC(C)C)c1c([N+]([O-])=O)cc(cc1)C(=O)C(F)(F)F	2177
+CC(C)CN(CCCCC(OC)=O)c1c(C=O)cc(cc1)Br	325
+CC(C)CN1c2ccc(cc2C=C(C(OC)=O)CCC1)Br	2897
+CC(C)CN1C(NN)=CC(=O)NC1=O	2592
+CC(C)CN1C(=O)C(C(=O)N(CC(C)C)C1=O)C(=O)NCC(=O)O	3
+CC(C)CN1C(=O)Cc2cc(ccc12)N	0
+CC(C)CN1c2c(CC1=O)cc(cc2)NCC(O)C(OC)=O	1967
+CC(C)CN1C(=O)N(C)C(=O)c2c(-c3n(cc(c3)C(NOC)=O)C)n(Cc4c[nH]c5ccc(cc45)C)nc12	1546
+CC(C)CN1C(N(N=C1c2scc(c2Cl)C)CC(O)=O)=O	3
+CC(C)CN1C(=O)N(c2sc(C(N)=O)c(C)n2)CC1	4328
+CC(C)CN1C(N(CC1)c2nc(c(C(=O)NCc3ccn(C)n3)s2)C)=O	454
+CC(C)Cn1cncc1CO	4329
+CC(C)CN1CCCCC1CN	15
+CC(C)CN1N=C(c2cc(c(cc2)C)F)C=C(C1=O)COS(=O)(=O)C	2178
+CC(C)CN1C(Cc2cc(N3CC(OC3=O)C(=O)NC)ccc12)=O	248
+CC(C)CN1C(NN)=CC(=O)N(C1=O)C	2592
+CC(C)CN1C(=O)N(c2sc(c(n2)C)C(O)=O)CC1	6
+FC(F)(F)c1cccc(c1)CNC(CN2N=C(N(CC(C)C)C2=O)c3c(c(cs3)C)Cl)=O	9
+CC(C)CN1C(=O)N(Cc2ncccc2)C(=O)c3c1nn(Cc4c5c(cccc5)sc4)c3-c6cccn6C	7829
+CC(C)CN1c2nn(c(c2C(=O)N(C)C1=O)-c3cc(cn3C)C(=O)OC)Cc4c5c(cccc5)ccc4	4330
+CC(C)CN1C(=O)N(C)C(=O)c2c(-c3cc(cn3C)C(=O)O)n(Cc4c[nH]c5ccc(cc45)C)nc12	3751
+CC(C)CN1c2nn(Cc3ccnc4ccc(cc34)Cl)c(-c5n(C)ccc5)c2C(NC1=O)=O	4330
+CC(C)CN1C(NC(=O)c2c1nn(Cc3c4c(cccc4)sc3)c2-c5cccn5C)=O	7830
+CC(C)CN1C(=O)N(N=C1c2scc(c2Cl)C)CC(=O)OCC	7831
+c1cc(ccc1C)C=2C=C(C(=O)N(CC(C)C)N=2)COS(=O)(=O)C	1191
+CC(C)CN1C(Cc2cc(ccc12)N3C(=O)OC(C(OC)=O)C3)=O	7832
+CC(C)CN1C(=O)n2cnnc2-c3nc[nH]c13	7833
+c1cc(ccc1OCCOCCCC)-c2cc3c(cc2)N(CC(C)C)CCCC(C(=O)OC)=C3	750
+CC(C)CN1C(=O)C(C(=O)NNC(=O)CCCCCCCCCCC)=C(c2c1cccc2)O	7834
+CC(C)CNC(=O)NNC(=O)c1scc(C)c1Cl	7835
+CC(C)CNC(Nc1cccc(N)c1)=S	2898
+c1cc(ccc1-c2cc(C(N(C)CC(C)C)=O)cc(c2)C(=O)OCC)C	30
+CC(C)CN1C(c2scc(c2Cl)C)=NNC1=O	7836
+c1cc(ccc1Cl)C2(CC2)C(=O)N3C(C(=O)NC(C(C(=O)NCC(C)C)=O)CC)CC(S(=O)(=O)c4ccccc4Cl)C3	612
+CC(C)CN1C(=O)CC(N(CC(C)C)C1=O)=O	7837
+CC(C)CNC(Nc1n(nc(C(=O)O)c1)C)=O	1
+CC(C)CNC(=S)Nc1cc(NC(=O)Nc2ccc(cc2)Cl)ccc1	124
+CC(C)CN(CC(C)C)c1ccc(CC#N)cc1[N+](=O)[O-]	34
+CC(C)CN(CC(C)C)c1c(cc(C=O)cc1)[N+](=O)[O-]	34
+CC(C)CN(CC(C)C)c1ccc(Br)cc1[N+](=O)[O-]	34
+CC(C)CNCc1sc(-c2cccc(S(=O)(=O)C)c2)cc1	268
+CC(C)CN(C(=O)c1nc(ccc1)F)Cc2c(c3n(ncn3)cn2)CCC	147
+O=S(=O)(N(CC(C)C)Cc1oc(Br)cc1)c2c(cccc2)Cl	92
+O=S(=O)(N(CC(C)C)Cc1sc(cc1)-c2cc(S(=O)(=O)C)ccc2)c3c(C)ccc(c3)F	92
+O=S(=O)(Cc1ccccc1)N(Cc2cnc(Br)s2)CC(C)C	112
+O(C)c1cccc(OC)c1-c2n(CC(C)C)nc(C(=O)OCC)c2	2054
+c1cc(ccc1-c2cc(C(=O)OCC)nn2CC(C)C)Br	2054
+O=S(=O)(N(Cc1ccc(cc1)Cl)CC(C)C)c2ccc(cc2)OC	692
+CC(C)CNc1c(N)cc(C(=O)C)cc1	0
+CC(C)CNc1c(cnc(n1)C#N)Br	738
+c1cc(ccc1)Cc2cc3cnc(C#N)nc3n2CC(C)C	7838
+CC(C)CNc1nc2c(n3c(cnc13)-c4cc5c(cc4)OCCO5)cccc2	7839
+CC(C)CNc1c2n(cc(n1)-c3ccccc3)ccn2	356
+CC(C)Cn1c2c(nc1COc3cccc(OCC)c3)ccc(O)c2	1264
+c1(cc(cc(F)c1Br)S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C)F	416
+c1cc(ccc1C(=O)C)S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C	416
+CC(C)Oc1cc(C(=O)Nc2ncc(C(=O)OC)cc2)cc(OCC(C)C)c1	126
+c1c(Cl)cc(c(c1[N+]([O-])=O)O)C(c2cc(cc([N+]([O-])=O)c2O)Cl)OCC(C)C	7840
+C1CN(CCN1C(OCC(C)C)=O)c2nc(-c3c(OC)cccc3)nc4ccsc24	2094
+CC(C)COC(Nc1ccc(c(c1)F)Br)=O	1718
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)NC(=O)OCC(C)C)F	90
+CC(C)COC(OC(=O)CN1c2ccccc2C3(c4c(OC3)cc5OCOc5c4)C1=O)=O	7841
+CC(C)COC(=O)Nc1cccc(c1)F	90
+CC(C)COC(=O)n1c(-c2ccc(cc2)Br)ncc1	7842
+c1ccccc1Nc2nc(nc(-c3ccccc3)n2)NC(OCC(C)C)=O	4331
+CC(C)COC(c1cc(-n2c3ccc(cc3cn2)OC(C(NC(=O)C(F)(F)C)C)c4ccc5c(OCOC5)c4)ccc1)=O	9
+CC(C)COC(c1cc(-n2c3ccc(cc3cn2)OC(C(N)C)c4cc5c(cc4)COCO5)ccc1)=O	669
+CC(C)CON=C(C(=O)OCC)C(=O)CCl	969
+CC(C)CON=C(C(=O)OCC)c1csc(n1)N	1145
+CC(C)CON=C(c1nc(sc1)N)C(O)=O	3
+CC(C)CON=C(C(NC1C(=O)N2C1SCC=C2C(O)=O)=O)c3nc(sc3)N	999
+c1cc(ccc1[N+]([O-])=O)COC(=O)C2=C(CSC3N2C(C3NC(C(=NOCC(C)C)c4csc(NC=O)n4)=O)=O)O	471
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(C(=NOCC(C)C)c4csc(NC=O)n4)=O)=O	471
+CC(C)CON=C(c1nc(NC=O)sc1)C(O)=O	1274
+OC(CP(C)(=O)O)CN	7843
+CC(C)COP(=O)(C)CC(CN)O	18
+CC(C)COP(CCCN)(=O)C	51
+CC(C)COP(=O)(CCC#N)C	4332
+CC(C)COc1cc(CO)c(nc1-c2cc(OC)ccc2F)OC	295
+CC(C)COc1nc(ccc1-c2c(F)ccc(OC)c2)COC	629
+CC(C)COc1c(-c2cc(OC)ccc2F)ccc(C(OC)=O)n1	89
+CC(C)COc1cc(c(C(=NO)c2ccc(OCC(C)C)c(c2)CCC(=O)OCC)cc1)OCC(C)C	1205
+CC(C)COc1ccc(C(Nc2cccc(OC)c2)=S)cc1C#N	581
+CC(C)COc1ccc(Cl)cc1Cc2oc(CO)cc2	4333
+CC(C)COc1ncc(cc1Cl)OCc2cc(c(C(OC)=O)cc2F)F	483
+CC(C)COc1c(C#N)cc(-c2sc3c(cccc3O)n2)cc1	7844
+CC(C)COc1cc(COc2cc(C(CC(=O)O)C3CC3)ccc2)c(nc1-c4cc(OC)ccc4F)OC	4
+c1ccccc1S(=O)(=O)NC(c2ccc(-c3cc(cc(F)c3)OCC(C)C)nc2Cl)=O	3968
+CC(C)COc1cc(cc(OCC)c1)C=O	39
+CC(C)COc1c(CCC(OCC)=O)cc(C(c2c(OCC(C)C)cc(OCC(C)C)cc2)N)cc1	4334
+CC(C)COc1cccc(OCC(OCC)=O)c1	52
+CC(C)COc1cc2CC(CC)N3C=C(C(=O)O)C(=O)C=C3c2cc1OC	108
+CC(C)COc1ccc2c(c(nn2C)C=O)c1	2158
+OB(O)c1ccc(c(C#N)c1)OCC(C)C	281
+CC(C)COc1c(cc(cc1)-c2sc3c(cccc3OC)n2)C#N	2179
+CC(C)COc1c(cc(Cl)cc1)Cc2oc(cc2)C=O	2180
+CC(C)COc1cc2c([nH]nc2cc1)C=O	804
+CC(C)COc1cccc(OCc2[nH]c3c(n2)cccc3)c1	442
+CC(C)COc1cccc(OCC(O)=O)c1	3
+CC(C)COc1c(-c2ncc(c(O)n2)-c3[nH]nnn3)cccc1	4335
+CC(C)COc1ccccc1-c2nc(O)c(C#N)cn2	7845
+CC(C)COc1ccccc1-c2ncc(C(=O)N)c(n2)O	7846
+CC(C)COc1nc(CN(c2cc(ncn2)C(C3CC3)CC(O)=O)C)ccc1-c4c(F)ccc(OC)c4	3
+CC(C)COc1nc(CN(c2cc(ncn2)C(CC(=O)OCC)C3CC3)C)ccc1-c4c(F)ccc(OC)c4	1347
+c12c(cccc1)C(=O)N(C2=O)Cc3ccc(-c4c(F)ccc(OC)c4)c(n3)OCC(C)C	2181
+CC(C)COc1nc(CO)ccc1-c2c(F)ccc(OC)c2	88
+CC(C)COc1ncc(OCc2c(cc(c(F)c2)C(=O)O)F)cc1Cl	1
+CC(C)CSc1ccc2c(cc(N)c([N+]([O-])=O)c2)c1	972
+CC(C)CS(c1ccc2c(c1)cc(N)c(N)c2)=O	0
+CC(C)CS(=O)c1ccc2cc(c(cc2c1)N)[N+]([O-])=O	357
+CC(C)Cc1cc(nc(Cl)n1)Cl	4336
+FC(F)(F)c1ccc(cc1)-c2nc(ccc2)C(O)CC(C)C	2899
+c1cc(ccc1C(O)CC(C)C)C(=O)OC	758
+CC(C)Cc1ncc(cc1C#N)C(OCC)=O	7847
+CC(C)Cc1cc(ccc1-c2cc(Cc3c4ccccc4ccc3)c(cc2)O)CCC#N	5
+OB(O)c1ccccc1CC(C)C	422
+CC(C)Cc1c(O)cc(O)c(C(=O)C)c1	214
+CC(C)Cc1c(OC)cc2OCc3c(-c2c1)n(nc3C(O)=O)-c4cscc4	6
+CC1(C)C(C)(C)OB(O1)c2ccc(c(C#N)c2)CC(C)C	17
+CC(C)Cc1c2ccc(nc2ccc1)O	2900
+CC(C)Cc1c2C=CC(=O)[NH+]([O-])c2ccc1	7848
+CC(C)Cc1c2c(ncc1N)cccc2	13
+c1(C)cc(cc(C)c1Oc2cc3c([nH]nc3cc2)CC(C)C)[N+]([O-])=O	46
+Clc1cc(cc(Cl)c1)-c2ccc3c(cccc3n2)CC(C)C	691
+CC(C)Cc1c2ccc(nc2ccc1)Cl	532
+CC(C)Cc1cn(c2cc(Cl)ccc12)-c3nc(C(OCC)=O)cs3	7849
+c1cc(ccc1F)-n2c(CC(C)C)cc(n2)CN	2880
+CC(C)Cc1cc(ccc1-c2ccc(-c3cc(Cc4c5c(cccc5)ccc4)c(O)cc3)c(CC(C)C)c2)CCC#N	5
+CC(C)Cc1nc(nc(OC)c1)OC	2901
+CC(C)Cc1cc-2c(OCc3c-2n(nc3C(N4CCCN(C(C5OCCC5)=O)CC4)=O)-c6ccsc6)cc1OC	10
+c1cc(ccc1-c2noc(n2)-c3ccc(cc3)CC(C)C)C4CC5(C(N(C)C(=O)N5)=O)CC4	910
+CC(C)Cc1ccc(cc1)C(C)C(NCCCCO)=O	9
+CCOP(OCC)(=O)OCCCCNC(C(c1ccc(cc1)CC(C)C)C)=O	4337
+CC(C)Cc1c(C#N)cc(cc1)N	0
+CC(C)Cc1c2c([n+]([O-])ccc2)ccc1	924
+CC(C)Cc1c2c(n(-c3nc(CO)cs3)c1)cc(Cl)cc2	1171
+CC(C)Cc1cc(C=NO)nn1-c2ccc(cc2)F	688
+c1ccccc1CN2C(=O)c3nc4c(nc3N=C2CC(C)C)cccc4	7850
+CC(C)Cc1sc(-c2onc(C(CCC(O)=O)CC(Nc3c(Cl)cc(cc3)C)=O)c2C4CC4)cn1	1405
+CC(C)Cc1scc(n1)C(=O)O	6
+CC(C)Cn1c2c3c(cccc3)nc(N)c2nc1CN	18
+CC(C)Cn1c2ccc(cc2cn1)O	5
+CC(C)Cn1c(nc2c(nc3c(cccc3)c12)N)CN=[N+]=[N-]	2902
+CC(C)Cn1c2c(nc1COc3cccc(OCC)c3)ccc(c2)OCC(OCC)=O	52
+CC1(C)C(C)(C)OB(O1)c2cc(C)c3c4ccccc4n(c3c2)CC(C)C	7851
+CC(C)Cn1c2ccc(cc2cn1)Oc3c(cc(cc3)F)C#N	46
+CC(C)Cn1c2ccc(Oc3ccc(cc3CN)F)cc2cn1	107
+CC(C)Nc1c(cc2N(C(=O)C(C)(C)c2c1)CCCCC)[N+](=O)[O-]	7852
+CC(C)Oc1cc(c(cc1)C)C(=O)N2CCC(CC2)N3C(=O)C(C)(C)C(c4cc(OC)c(OC)cc4)=N3	313
+CC1(C)C(C)(C)OB(O1)c2cn(nc2)C(C)C	2182
+CC(C)Oc1cc(ccc1)-c2cncc3cc(C(OCC)OCC)oc23	313
+C[Si](C)(C)C#Cc1cc(OC(C)C)c2c(c1)C(C)(C)CCC2=O	313
+CC(C)Oc1cc(-n2c(C)c(c(C)n2)C)c(F)cc1Cl	313
+CC(C)N1N=C(c2cc(ccc2)Cl)c3c(cccn3)C1=O	7853
+FC(F)(F)C(=O)c1cn(c2cc(C)ccc12)C(C)C	4338
+FC(F)(F)C(=O)c1c2ccc(cc2n(C(C)C)c1)OC	4338
+FC(F)(F)c1c2c(c(Br)ccc2nc(c1)OC(C)C)OCc3ccccc3	7854
+FC(F)(F)c1cc(Cl)c(nc1)-c2ccc(Cl)c(OC(C)C)c2	313
+FC(F)(F)c1cnc(Oc2cc(OC(C)C)ccc2C=C(C(OCC)=O)C)c(Cl)c1	313
+CC(C)n1c2ncnc(N)c2c(n1)I	7855
+O=S(=O)(c1c(ccc(Br)c1)OC(C)C)NC(Cc2c[nH]c3c2cccc3)C(=O)OC	313
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(OC(C)C)ccc13)C	313
+CC(C)Oc1ccc(C(=O)OC)cc1C	313
+CC(C)Oc1ccc(cc1Br)[N+]([O-])=O	313
+CC(C)n1nc2c(cccc2c1-c3c(cc(cc3)OC)OC)F	7856
+CC(C)Oc1cccc(C=O)c1	313
+CC(C)Oc1c([N+](=O)[O-])ccc(F)c1	313
+CC(C)n1nc(cc1)-c2scc(c2)Br	2182
+CC(C)N1C(=O)C(CC)Oc2cc(ccc12)C(=O)OC	3344
+CC1(C)OC2C(C(OC2CN(CCCN3C(=O)c4c(cccc4)C3=O)C(C)C)n5c6ncnc(c6nc5)N)O1	2689
+CC(C)n1c2c(c(nc(Cl)c2)Cl)nc1	7857
+CC(C)Oc1c(Br)ccc(O)c1	313
+CC(C)Oc1ccc([N+]([O-])=O)c(C#N)c1	313
+CC(C)n1cc(-c2cc(Br)c(F)cc2)c(-c3nc(ccc3)C)n1	2182
+CC(C)Oc1ccc(cc1C(OC)=O)I	313
+CC(C)Oc1cccc(c1)CCC(OC)=O	313
+CC(C)N1CCCc2c1cccc2	3977
+c1cc(ccc1F)-c2cn(c(C(=O)OCC)c2-c3ccccc3)C(C)C	7858
+c1cc(ccc1OC)-c2c(cnc(n2)N)C3=NN(C(C)C)C(=O)C=C3	7859
+c1cc(ccc1-c2c(cc(c(c2F)OC(C)C)C=O)Br)F	313
+c1cc(ccc1-c2c3c(c(ccc3)Cl)n(n2)C(C)C)OC	7860
+CC(C)N1N=C(c2c3n(ccc(OC)c3)nc2-c4ccccc4)C=CC1=O	4226
+c1ccccc1COC2=CC(Br)=CN(C(C)C)C2=O	7861
+c1ccccc1COc2ccc(cc2)N3C(=O)N(c4c3nccc4)C(C)C	7862
+CC(C)n1c2ncncc2c(I)c1	7863
+CC(C)n1nc(c(c1)-c2ccnc(n2)SC)-c3sc(Cl)cc3	2182
+CC(C)N1C(=O)CC(=O)N(C(C)C)C1=O	1984
+CC(C)Nc1c(C(OCC)=O)cnc(SC)n1	40
+CN(C)C(c1ccc(cc1)-c2c(OCCNC(C)C)ccc(-c3nc(c4c(cc(OC)cc4OC)n3)O)n2)=O	132
+CC(C)Nc1nc(Cl)cc2c1C(=O)N(C)C=N2	70
+COc1cc(cc(OC)c1)C2=CC(c3c(O2)cc(cc3)OCC(CNC(C)C)O)=O	122
+CC(C)NCc1cc(-c2nc(-c3cc(c(-c4ccccc4C)cc3)COC)on2)ccc1	4339
+CC(C)Nc1c(cc(cc1)Cl)[N+]([O-])=O	205
+FC(F)(F)c1cc(Cl)c(nc1)-c2ccc(c([N+](=O)[O-])c2)NC(C)C	60
+FC(F)(F)c1cc(C(Nc2c(c3nsnc3cc2C(=O)NC(C)C)Cl)=O)n(n1)-c4c(cccn4)Cl	1302
+CC(C)NC=1N=C2N(C=CC=C2)C(=O)C=1Br	7864
+CC(C)NC(c1ccccc1N)=O	1338
+CC(C)NCc1c(O)nc2c(cccc2C)c1	249
+CC(C)NCc1c(cccc1)O	42
+CC(C)NCc1c(OCCCCCC(OCC)=O)cccc1	42
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCNC(C)C	132
+CC(C)NS(=O)(=O)c1ccccc1[N+]([O-])=O	71
+CC(C)Nc1c([N+]([O-])=O)cccc1	60
+CC(C)Nc1c([N+]([O-])=O)c(ccc1)F	60
+CC(C)Nc1c(cnc(Cl)c1)[N+](=O)[O-]	105
+CC(C)NC(c1cc(F)c(Br)cc1)=O	14
+CC(C)Nc1c(C(O)=O)ccc(c1)Br	60
+CC(C)NC(=O)c1c(n[nH]c1)-c2nc3ccccc3[nH]2	4340
+CC(C)Nc1c(C(OCC)=O)cnc(Cl)c1	105
+CC(C)Nc1nc2c(cc(C=O)cc2F)s1	3841
+CC(C)Nc1c([N+](=O)[O-])cc(Br)cc1	60
+CC(C)Nc1nncc2cc(Br)ccc12	232
+CC(C)NC(=O)c1sc(cc1OCc2ccccc2C)-n3cnc4ccccc34	227
+CC(C)Nc1c2c(nnc1I)cc(-c3ccc(cc3)S(=O)(=O)C)cc2	4341
+c1cc(ccc1C#Cc2nc(NC(C)C)ncc2)F	96
+c1cc(ccc1C)S(=O)(=O)N2CCCC(c3ccccc23)CC(=O)NC(C)C	9
+CC(C)NCc1ccc(cc1)C(OC)=O	370
+c1cc(ccc1CC(NC(C)C)=O)-c2ccc(cc2)OC(C)C(CCc3cnccc3)O	9
+C1CC1c2[nH]nc(c2)Nc3nc(c(C#N)c(c3F)NC(C)C)NC(C)c4ccc(cc4)F	7865
+c1cc(ccc1S(=O)(=O)Nc2cc(nc(NCC)n2)NC(C)C)N	40
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)(NCc4ccccc4)C(=O)NC(C)C	9
+CC(C)Nc1nc(nc2c1CCC2c3ccccc3)Cl	40
+CC(C)Nc1nccc(-c2c(nn3c2cccc3)-c4cc(F)ncc4)n1	785
+CC(C)N(C(=O)c1ccc(cc1)-c2occc2)Cc3ccccc3OCCCCc4nnn[nH]4	420
+CC(C)N(C(C)C)C(=O)c1ccc(cc1)OCCCCCOc2ccc(cc2)C(=N)NO	181
+CC(C)N(C(C)C)C(c1ccc(cc1O)O)=O	5
+CC(C)N(C(C)C)C(=O)c1ccc(cc1)OCCCCCOc2ccc(cc2)C#N	72
+CC(C)N(C(C)C)C(c1c(O)cc(OCCCCCOc2ccc(cc2)C#N)cc1)=O	8
+CC(C)N(C(C)C)C(c1c(cc(cc1)O)OC)=O	5
+CC(C)N(C(C)C)CC#CCCC=O	24
+CC(C)N(C(C)C)CC#Cc1c2c(nc(nc2n(c1)Cc3c(c(c(C)cn3)OC)C)N)Cl	4044
+CC(C)N(C(C)C)CCCSc1ccc([N+]([O-])=O)c(c1)C	411
+CC(C)N(C(C)C)CCCSc1cc(c(cc1)N)C	0
+CC(C)N(C(C)C)CCN1c2ccc(cc2C(=O)C1=O)NC(C)=O	7866
+CC(C)N(C(C)C)CCN1C(C(=NNC(=O)N)c2cc(ccc12)NC(C)=O)=O	7867
+CC(C)N1C(CC)C(=O)Nc2cnc(Cl)nc12	2044
+CC(C)(Cn1cc(cn1)-c2ccc3OCCc4c(nc(C(=O)N(C(C)C)CCO)s4)-c3c2)O	320
+FC(F)(F)c1cc(C(=O)NC2C(N(C3C(CCC)CC(CC3)N(C)C(C)C)CC2)=O)c(NC(=O)NCC)cc1	1007
+CC(C)N(C)C1c2n(c3c(cccc3)c2C)CCC1	695
+c1ccccc1-c2sc(c(N(C(C3CCC(CC3NC(=O)C)C)=O)C(C)C)c2)C(=O)O	1
+c1cc(ccc1N(C(C)C)C(CN2c3ccccc3N(C(=O)CC2=O)c4ccccc4)=O)C	4342
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=Cc2ccc(cc2)N(c3ncccn3)C(C)C)=O	1046
+CC(C)N1C(=O)C(C(=O)N(C(C)C)C1=O)C(NCC(=O)O)=O	3
+CC(C)N1C(C(Oc2c1ccc(C(=O)O)c2)CC)=O	1
+c1cc(ccc1-c2c(nc(C(=O)N)c(n2)N)C=3C=CC(=O)N(C=3)C(C)C)OC	696
+c1cc(ccc1F)-c2c(nc(c(n2)N)C#N)C=3C=CC(N(C(C)C)N=3)=O	7868
+CC(C)N1N=C(C=CC1=O)c2c(-c3ccccc3)nc(cn2)N	4343
+CC(C)N1C(=O)C=CC(=N1)c2nc(C(=O)O)c(N)nc2-c3ccccc3	4344
+CC(C)N1C(=O)C=CC(=C1)c2c(nc(N)c(C(=O)N)n2)Cl	2903
+CC(C)N1c2ccc([N+]([O-])=O)cc2CC1=O	31
+CC(C)n1c(nc2cc(ccc12)Cl)Cl	1088
+CC(C)N1C(=O)c2cc(ccc2C(=N1)Br)O	477
+CC(C)N1C(=O)c2c(C(=N1)Br)ccc(S)c2	7869
+CC(C)N1C(=O)c2cc3nc([nH]c3cc2C1=O)-c4c(nccc4Cl)OC	3792
+CC(C)N1N=C(Br)c2ccc(OC)cc2C1=O	65
+CC(C)N1C(c2cc3[nH]c(-c4c(O)nccc4NC(C)Cc5c(C)ccc(c5)F)nc3cc2C1=O)=O	105
+CC(C)N1C(=O)c2cc3c(nc([nH]3)-c4c(Cl)ccnc4O)cc2C1=O	104
+CC(C)N1C(C(C(=O)O)=Cc2c(cccc12)C)=O	108
+CC(C)N1C(C(C)(C)c2ccc(NCc3ccccc3)cc12)=O	250
+CC(C)N1c2cc(ccc2C(C)(C)C1=O)N	1197
+CC(C)N1C(C(Oc2cc(C(Cl)=O)ccc12)CC)=O	82
+CC(C)N1CCN2C(=C(C(=O)N=C2Cc3c(Cl)cccc3Cl)O)C1=O	7870
+CC(C)N1C(C=CC(c2c(nc(c(NCCN(C)C)n2)N)-c3ccccc3)=N1)=O	941
+C[Si](C)(C)C#Cc1c(N)nc(c(C2=NN(C(=O)C=C2)C(C)C)n1)-c3ccccc3	4345
+c1cc(ccc1)-c2nc(c(-c3ccccc3)nc2N)C4=NN(C(C)C)C(C=C4)=O	356
+c1cc(ccc1)C#Cc2c(nc(-c3ccccc3)c(n2)C=4C=CC(N(N=4)C(C)C)=O)N	2350
+O=S(=O)(c1nc(C)c2C=CC(N(C(C)C)c2n1)=O)C	737
+CC(C)N1c2c(cnc(Cl)n2)N(C(=O)C1CC)C	7871
+CC(C)N1C(N(C(=O)C1)c2ccc(O)cc2F)=O	5
+CC(C)N1C(N(c2c(cc(OCc3c(cc(cc3)Cl)OC(C)C(OC)=O)cc2)F)C(=O)C1)=O	139
+CC(C)N1C(Oc2cc(cc(F)c12)N3C(=O)OC(C3)C(=O)N)=O	327
+CC(C)N1C(=O)c2c(C(Br)=N1)ccc(N)c2	0
+CC(C)N1C(c2cc(ccc2C(=N1)Br)CSC)=O	639
+CC(C)N1Cc2c(C1=O)cc3[nH]c(-c4c(NC(Cc5cc(ccc5C)F)C)ccnc4O)nc3c2	1598
+CC(C)N1C(=O)C=CC(c2c(Cl)[n+]([O-])c(N)c(C(N)=O)n2)=C1	2904
+CC(C)N1CC(Oc2ccc(Cl)cc2Br)CC1	624
+CC(C)N1CC(CC1)OS(=O)(=O)C	7
+CC(C)N1CCC(CC1)COc2c3c(c(cc2C(NC(CC)(C(=O)O)C)=O)Cl)cccc3	3
+C1CN(CCC1NS(=O)(=O)CCNC(c2ccc(cc2)Cl)=O)C(C)C	14
+CC(C)N1CCC(CC1)NS(=O)(=O)CCN	45
+CC(C)N1CCC(CC1)Oc2ccc3c(cc(C(OC)=O)s3)c2	419
+CC(C)N1CCC(CC1)Oc2ccc3n4C(C)CNC(c4cc3c2)=O	419
+C1CC(CCN1C(C)C)Oc2nc3CCN(Cc3cc2)Cc4ccccc4	91
+C1CN(CCN1C(N(C)C)=O)C(c2[nH]c3cc(Cl)c(OC4CCN(CC4)C(C)C)cc3c2)=O	776
+CC(C)N1CCC(CC1)Oc2cc3c(cc2)sc(c3)C(O)=O	1
+CC(C)N1CCC(CC1)Oc2ccc(cn2)N	13
+CC(C)N1CCC(CC1)c2scc(C(O)=O)n2	6
+c1cc(ccc1Cl)NC(c2nc(sc2)C3CCN(CC3)C(C)C)=O	2015
+CC(C)N1c2ccc(cc2CCC1)C=O	151
+CC(C)N1c2c(CCC1)cc(C(C)=CCO)cc2	2624
+C1CN(CCN1c2cc(c(cc2F)[N+]([O-])=O)OC)C(C)C	79
+C1CN(CCN1C(C)C)c2c(OC)ccc(-c3nc(c4c(cc(OC)cc4OC)n3)O)n2	323
+c1cc(ccc1C=O)N2CCN(CC2)C(C)C	34
+CC(C)N1CCN(CC1)C2CN(C2)c3cc4c(C=CC(=O)N4Cc5ccc(cc5)OC)nc3	85
+C1CN(CCN1C(=O)OC2CN(CC2)c3ncc(C(=O)N)cc3)C(C)C	1011
+CC(C)N1CCN(CC1)C(=O)c2nc(c(s2)-c3c4c(ccc3)cccc4)C	1999
+O=S(=O)(c1ccc(cc1)OC)Oc2cc3n(nc(-c4ccccc4)c3C5=NN(C(C=C5)=O)C(C)C)cc2	681
+CC(C)N1C(=O)C=CC(=N1)c2nc(C#N)c(nc2-c3ccc(cc3)F)N=CN(C)C	696
+CC(C)N1N=C(C=CC1=O)c2c(nn3ccc(cc23)O)-c4ccccc4	5
+CC(C)N1N=C(c2c(cc(CO)cc2)C1=O)Br	217
+CC(C)N1C(=O)Cc2ccccc12	1562
+CC(C)N1C(C(=Cc2c1nc(N)nc2)c3ccc(c(c3)N)F)=O	0
+CC(C)N1c2c(cc(N)cc2OC1=O)F	0
+CC(C)N1C(Oc2c1c(cc(N3CC(C(=O)OC)OC3=O)c2)F)=O	7872
+CC(C)N1c2ccc(C(C)=C(F)C(OCC)=O)cc2CCC1	2905
+CC(C)N1c2c(OC1=O)cc(NCC(C(OC)=O)O)cc2F	1967
+CC(C)N1c2c(cc(C(=O)C)cc2)CCC1	155
+CC(C)N1C(CC)C(N(c2cnc(Nc3ccc(c4CCOc34)C(=O)O)nc12)C)=O	55
+CC(C)N1c2c(cnc(n2)SC)C=C(c3cc([N+]([O-])=O)c(F)cc3)C1=O	1597
+CC(C)N1c2c(C=C(C1=O)c3cc([N+]([O-])=O)c(F)cc3)cnc(N)n2	4048
+CC(C)N1c2cc(ccc2C(C)(C)C1=O)NC(c3cnccc3)=O	246
+CC(C)N1c2ccc(cc2CC1=O)N	0
+CC(C)N1c2c(cc(cc2)C(O)C)CCC1	449
+O=S(=O)(c1c(Cl)cc(cc1)Cl)NCCCCN(CC(O)COC)C(=O)NC(C)C	384
+CC(C)NC(Nc1cnc2c([nH]c(n2)-c3cc(ccc3Cl)NC(=O)c4occc4)c1)=O	2374
+CC(C)Nc1n(c2c(n1)cc([N+]([O-])=O)cc2)C	7873
+CC(C)Nc1nc2c(F)c(F)c(Cl)cc2[nH]1	3759
+c1cc(ccc1Oc2ncc(Br)s2)S(=O)(=O)N(C(C)C)C	2691
+CC(C)NC(=O)C1CCC(CC1)Nc2cc(ncc2N)OCCOC	13
+FC(F)(F)C(N1CCc2c(c(NCc3ccc(cc3)CC(=O)NC(C)C)c(cc2)Cl)CC1)=O	1627
+CC(C)NC(=O)Cn1cc(cn1)Nc2nccc(Cl)n2	4346
+c1c(F)c(c(cc1C#N)F)CNc2nc(ncc2)Nc3cn(CC(NC(C)C)=O)nc3	40
+c1cc(ccc1Nc2nc(Nc3c(cccc3)C(=O)NC(C)C)c(F)cn2)C(OCC)=O	55
+CC(C)NC(=O)c1ccc(c(-c2nc(c(N)cc2)C(=O)O)c1F)F	1
+CC(C)NC(=O)c1ccccc1Nc2c(F)cnc(Nc3ccc(cc3)CNCCS(=O)(=O)C)n2	42
+CC(C)NC(=O)c1nc(sc1C(=O)OCC)-c2ccc(NC(NCC)=O)nc2	7874
+CC(C)NC(=O)c1nc(sc1C(O)=O)-c2cnc(cc2)NC(NCC)=O	6
+CC1(C)CC2(OCCO2)CC(C)(C)N1c3nc(Cl)nc(N(C(C)C)C(C)C)n3	436
+CC(C)N(C(C)C)C(c1ccc(cc1)O)=O	30
+CC(C)N(C(CC)C(=O)OC)c1nc(ncc1[N+](=O)[O-])Cl	2619
+FC(F)(F)S(=O)(=O)Oc1ccc2C=C(c3cc(Cl)ccc3)N(CC(=O)NC(C)C)C(c2c1)=O	166
+CC(C)NC(CN1C(=O)c2cc(ccc2C=C1c3cc(Cl)ccc3)O)=O	5
+CC(C)NCCc1cccc(c1)O	15
+CC(C)NC(=O)c1[nH]c(C=O)nc1	7875
+CC1(C)OB(OC1(C)C)c2c(ccc(c2F)C(NC(C)C)=O)F	17
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CN(C4)c5ccc(C(=O)NC(C)C)cc5F)CC#N)c3)c2cc1	79
+CC(C)NC(=O)c1c(cccc1)Nc2nc(Cl)ncc2Cl	73
+C[Si](C)(C)CCOC(=O)c1cc(S(=O)(=O)N(C2CCC(CC2)C(=O)OC)C(C)C)ccc1	92
+CC(C)N(C=O)C1c2n(CCC1)c3ccccc3c2C	1003
+CC(C)NC=1N=C2C=CC=CN2C(=O)C=1c3ccc(cc3)Cl	7876
+c1cc(ccc1F)S(=O)(=O)N(CC(=O)OC)C(C)C	1387
+c1cc(ccc1)-c2ncc(N(C(C)C)CCCCO)nc2-c3ccccc3	317
+Fc1cccc(F)c1N2C(=O)C=Cc3c2nc(nc3-c4c(C)ccc(C(=O)Nc5sccn5)c4)NCCCNC(C)C	306
+O=S(=O)(Nc1c(ccc([N+]([O-])=O)c1)OCCNC(C)C)C	57
+CC(C)N(C(c1nc2-c3cc(ccc3OCCc2s1)Br)=O)CCO	1999
+CC(C)N(CCOc1c(-n2cccc2)cc(cc1)[N+](=O)[O-])CCc3cc(OC)c(cc3)OC	28
+CC(C)N(S(=O)(=O)c1ccc2N(CCOc2c1)C)Cc3c(nc4c(cccc4C)c3)O	92
+c1cc(ccc1F)C(=O)N(Cc2c(OCCCCCC(OCC)=O)cccc2)C(C)C	30
+c1cc(ccc1Br)C(=O)N(Cc2ccccc2O)C(C)C	30
+CC(C)NCc1cccc(c1)-c2cc(ccc2OC)N	0
+c1cc(ccc1OC(C(N(C(C)C)Cc2nc(-c3cccnc3)no2)=O)C)CCC	58
+FC(F)(F)C1=NN(C(=O)C1C)C(C)C	7877
+c12c(cccc1)C(=O)N(C2=O)CCCN(C(C)C)S(=O)(=O)c3ccccc3[N+]([O-])=O	831
+CC(C)Nc1cc(C(=O)O)c(cc1C(=O)N)C	1
+CC(C)Nc1c(ccc(c1)Br)C(OC)=O	272
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1C(=O)OCC	201
+CC(C)Nc1nc(SC)ncc1C(=O)O	6
+CC(C)Nc1ccc(Br)cc1N	0
+CC(C)Nc1c(c(ccc1)F)N	0
+CC(C)Nc1nc(CC)c(cc1N)Br	13
+CC(C)Nc1ccccc1N	0
+CC(C)Nc1c(cnc(c1)Nc2nc(N3CCC(CC3)OC)ncc2)N	13
+CC(C)N1c2cccc(c2NC1=O)F	1989
+CC(C)Nc1c(C(=O)N)cc(C)c(C(OC)=O)c1	216
+CC(C)N1C(=O)Nc2c1ccc(Cl)c2	1595
+CC(C)Nc1c(cc(cc1)Cl)N	0
+CC1(C)c2c(N(C1=O)CCCCC)cc(N)c(NC(C)C)c2	0
+c1ccccc1C(O)CN(CCc2ccc(cc2)-c3ccc(C(=O)OC)c(c3)NC(C)C)Cc4ccccc4	170
+C1CN(CCC1OC)c2nccc(Nc3ncc4c(n(c(CC)n4)C(C)C)c3)n2	730
+CC(C)N(C(=O)C1CCC(CC1N=[N+]=[N-])C)c2cc(-c3ccccc3)sc2C(=O)OC	1987
+CC(C)n1nnc2ccc(C(O)=O)cc12	2183
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1C(=O)O	6
+CC(C)Nc1cc(ncc1C(NC2CCC(CC2)=O)=O)Nc3cc4c(ncs4)cc3	97
+CC(C)n1c2c(nc1Nc3ccc(cc3)C(=O)OC)cc(cc2)Br	1023
+CC(C)Nc1ccn(n1)-c2nc3cc(OC)ccc3c(O)c2	4347
+CC(C)Nc1ccn(n1)-c2nc3c(ccc(c3)OC)c(Cl)c2	4348
+CC(C)Nc1n(C)c2ccc(cc2n1)N(c3ccnc(Nc4cc(c(Cl)cc4)S(=O)(=O)N)n3)C	55
+CC(C)Nc1nc2c(ccc(Nc3nc(ncc3)Cl)c2)n1C	73
+CC(C)Nc1n(c2c(n1)cc(N)cc2)C	0
+CC(C)Nc1nc(cc(n1)C#N)C	331
+CC(C)Nc1nc(cc(n1)C)C(OCC)=O	226
+CC(C)N1C(C(=Nc2cc(Br)c(CC)nc12)C)=O	7878
+CC(C)(c1ccc(-c2nc(NC(C)C)c3c(c2)N=CN(C)C3=O)cn1)O	1608
+CC(C)Nc1nc(SC)nc(c1C=CC(=O)OCC)C	4349
+CC(C)N1C(C=Cc2c(C)nc(SC)nc12)=O	3690
+CC(C)Nc1nc(ncc1C(=O)N)SC	2757
+CC(C)Nc1nc(C)cc(C(N)=NO)n1	7879
+CC(C)Nc1nc(C)cc(C(N)=O)n1	314
+CC(C)Nc1nc(SC)nc(C)c1I	2906
+c1ccccc1C2CCc3c2nc(Nc4ccc(c(c4)OC)-n5cc(nc5)Cl)nc3NC(C)C	55
+CC(C)Nc1c(C(=O)N)cnc(n1)S(C)=O	3802
+CC(C)Nc1n(C)c2ccc(N(C)c3nc(Cl)ncc3)cc2n1	1121
+CC(C)Nc1c2c(cc(cc2)-c3c(C)ccc(c3)C(Nc4ccnn4CC)=O)cnn1	99
+CC(C)Nn1c2c(c(N)nc3cc(-c4cccc(NS(=O)(=O)C)c4)ccc23)nc1CCC	495
+CC(C)Nn1c(CCC)nc2c(nc3cc(Br)ccc3c12)N	461
+CC(C)Nn1cnc2c(N)nc3c(cccc3)c12	461
+CC1(C)CCC(C)(C)C1C(O)=O	7880
+CN(C)C(=O)c1ccc(cc1)-c2cc(ccc2COC(C)C)NC(=O)C3(CC3)c4cc5OCOc5cc4	2638
+Clc1cccc(c1)-c2nnn(n2)C(C)CC(=O)O	7881
+FC(F)(F)Oc1cc(CC(=O)O)cc(Cl)c1	7882
+FC(F)(F)c1cccc(CNC(=O)c2cc(ncc2)-c3cc(OC(C)C)ccc3[N+](=O)[O-])c1	57
+CC(C)Oc1c(cnc(N)c1)C#N	2009
+CC(C)Oc1n[nH]c(N)c1	7883
+CC(C)OC(=O)CN1C(N(C(=O)N(C1=O)C)c2cc(c(cc2Cl)F)[N+](=O)[O-])=O	27
+CC(C)Oc1ccc(S(=O)(=O)C)cc1C(O)=O	556
+CC(C)Oc1n2c(ccc1)nc(-c3c(cccc3F)Cl)c2Nc4ccc5OCCOc5c4	7884
+CC(C)OC(=O)c1cnc[nH]1	1910
+CC(C)Oc1ccc(C(C)=O)cc1Cl	419
+CC(C)OC(c1cccnc1Cl)=O	342
+CC(C)OC(c1cccc(Cc2cc3c(C)c(-c4ccnc(N)n4)sc3cc2)c1)=O	47
+CC(C)Oc1cc(Cl)c(cc1[N+]([O-])=O)C	57
+CC(C)OC(c1cccc(Br)c1)=O	47
+CC(C)OC(Cc1c(cc(cc1)[N+](=O)[O-])[N+]([O-])=O)=O	204
+CC(C)Oc1cc(c(Br)cc1[N+]([O-])=O)C	20
+c1c(OC)c(c(cc1-c2nc(N)nc(OC(C)C)c2C#N)OC)OC	7885
+CC(C)Oc1cc(ccc1)CC(=O)OC	419
+CC(C)Oc1ncccc1[N+]([O-])=O	430
+CC(C)OC(=O)c1cc(c(N2CC(C2)C(NS(=O)(=O)Cc3ccccc3)=O)nc1C(F)F)C#N	7886
+CC(C)OC(=O)Nc1c(C)nnn1-c2ccc(cc2)Br	2907
+C1N(CC1C(c2cc(F)cc(C(=O)OC(C)C)c2)C(C)(C)F)C(c3cccc(c3)C#N)c4ccc(cc4)Cl	47
+C1CN(CCN1C(c2c(OC(C)C)ccc(c2F)S(=O)(=O)C)=O)c3ccc(cc3)C#N	57
+CC(C)n1cc([N+]([O-])=O)cn1	2010
+OB(O)c1ccc(C2CCC2)c(c1F)OC	579
+OB(O)c1ccc2c(CCCC2)c1	579
+OB(O)c1ccc(OC(C)C)c(c1)OCC	1719
+OB(O)c1c(OCCC)c(cc(C(C)C)c1)C(C)C	281
+CC(C)C1=CCC(C)(C)c2cc(c(B(O)O)cc12)C	281
+OB(O)c1cc2c(ccc(Cl)c2)o1	7887
+CC(C)OB(OC(C)C)c1cc(c(cc1)OCCOC2CCCCO2)C(F)(F)F	585
+FC(F)(F)c1c(OCOCCOC)ccc(B(O)O)c1	281
+CC(C)OB(OC(C)C)c1cc(c(cc1)OCCCOC2CCCCO2)C(F)(F)F	585
+FC(F)(F)c1cc(B(O)O)ccc1OCCCOC2CCCCO2	281
+FC(F)(F)c1c(cncc1)B(O)O	2639
+OB(O)c1ccccc1CCOC2OCCCC2	281
+OB(O)c1c(cc(c(c1)Cl)-c2cc(ccc2)F)OC	1719
+OB(O)c1c(C)c(OCOC)ccc1	281
+c1c(C)c(c(cc1OCOC)C)B(O)O	281
+c1(cc(cc(OC)c1Cl)B(O)O)OC	281
+OB(O)c1c(cccc1)-c2c(ccc(c2)Br)OC	1719
+OB(O)c1cc2c(cccc2s1)C(O)=O	7888
+OB(O)c1ccc(F)c(c1F)OCCCCCC	1509
+OB(O)c1ccc(C#N)c(c1)OC	281
+OB(O)c1ccc(c(OCC)c1)Cl	281
+OB(O)c1ccc2cc(ccc2c1)-c3c4ccccc4c5ccccc5c3	281
+CC(C)OB(OC(C)C)c1ccc2c(c1)CCCC2	585
+OB(O)c1cc(C#N)ccc1OC	281
+c1ccccc1COc2ccccc2-c3ccccc3B(O)O	281
+c1cc(ccc1)COc2c(cc(Cl)cc2)-c3c(B(O)O)cccc3	281
+CC(C)OB(OC(C)C)c1ccc(cc1)-c2cc3c(c4ccccc24)cccc3	585
+c1cc(ccc1B(O)O)-c2ncccc2	281
+CC(C)(c1ccc(cc1)B(O)O)C(=O)O	281
+c1cc(ccc1B(O)O)CCN2C(C)CCC2	281
+OB(O)c1cc(ccc1F)I	1509
+c1cc(ccc1Nc2ccc(B(O)O)cn2)Cl	2639
+OB(O)c1ccc(cc1)Oc2ccccc2F	1719
+OB(O)c1cccc(c1)-c2cc3ccccc3cc2	281
+c1ccccc1Oc2cc(c(cc2)B(O)O)F	281
+OB(O)c1ccc(cc1Cl)-c2cncc(C)n2	1719
+OB(O)c1cc2c(c(F)c1)-n3c(CC2)nnc3C	281
+OB(O)c1cc(OC)cnc1F	2698
+CC(C)(C)[Si](C)(C)Oc1ccc(B(O)OC(C)C)cc1C2CCCCC2	579
+FC(F)(F)c1cc(ccc1OCCCOC2CCCCO2)B(OC(C)C)O	579
+FC(F)(F)c1cc(B(OC(C)C)O)ccc1OCCOC2CCCCO2	579
+CC(C)OB(O)c1c(c(OC)c(C2CCC2)cc1)F	579
+c1cc(ccc1B(OC(C)C)O)-c2c3ccccc3c4c(cccc4)c2	579
+CC(C)(C)[Si](C)(C)OC(CCc1cnccc1)C(Oc2ccc(cc2)B(OC(C)C)O)C	579
+CC(C)OB(O)c1ccc2c(CCCC2)c1	579
+c1([nH]c2c(cc(cc2)F)c1C)CCC(=O)O	887
+CC(C)OC(CN1C(N(C(N(C)C1=O)=O)c2c(cc(c(N3C(c4c(C3=O)c(F)ccc4)=O)c2)F)Cl)=O)=O	668
+CC(C)OC(=O)CN1C(=O)N(c2c(cc(F)c(N)c2)Cl)C(N(C1=O)C)=O	0
+C(Oc1ccc(c(c1C#N)NCc2c(F)ccc(c2)-c3cc(ccc3)F)F)C(=O)O	887
+c1c(-c2cc(ccc2)F)cc(c(F)c1C)CNc3c(C)ccc(OCC(=O)O)c3C	887
+C(Oc1ccc(c(c1F)NCc2cc(-c3cc(ccc3)F)cc(F)c2C)F)C(=O)O	887
+c1c(c(c(NCc2cc(OC)cc(-c3cc(F)ccc3)c2)c(C)c1)C)OCC(=O)O	887
+CC(C)OC(=O)COc1cccc(CN(CCCCn2c(CCOC)nc3c2c4c(cccc4)nc3N)CCN(C)C)c1	48
+CC(C)OC(N(C)CCCNc1nn2c(cc1)ncc2Br)=O	232
+CC(C)OC(=O)N1c2cc(c(cc2N(C(C1)C)C(C)=O)[N+](=O)[O-])-c3ccc(cc3)S(=O)(=O)C	99
+c1cc(ccc1S(=O)(=O)C)-c2cc3N(CC(N(c3cc2N)C(C)=O)C)C(=O)OC(C)C	0
+c1c(cc2c(c1)N(C(C)CC2N)C(=O)C)Br	4350
+c1cc(ccc1-c2ccc(cc2)-n3c(c(C)nn3)NC(OC(C)C)=O)C4(CC4)C(OC)=O	99
+c1(F)cc(cc(F)c1C=O)NC(=O)OC(C)C	151
+FC(F)(F)C(=O)N1CCC(CC1)c2ccc(cc2)C(c3c(cc4cc(C(=O)OC(C)C)ccn34)CCCC)=O	4351
+c12c(cc(cc1)CO)ncn2-c3cccc(c3)Br	7889
+CC(C)OC(=O)c1cccc(c1)C#Cc2cc(c(cc2)CC(O)=O)F	3
+CC(C)OC(=O)c1n(cnc1)C2c3c(CCC2)c(cc(Br)c3)F	7890
+CC(C)OC(c1c(nc(O)c(C#N)c1)C)=O	2908
+CC(C)OC(COc1c(C)c(c(F)cc1)NCc2c(OC)c(cc(-c3cccc(F)c3)c2)C)=O	52
+CC(C)OC(=O)COc1c(c(c(F)cc1)NCc2c(c(F)cc(c2)-c3cccc(c3)F)C)F	52
+CC(C)OC(=O)COc1c(C)c(c(cc1)C)NCc2cc(-c3cccc(F)c3)cc(c2F)C	52
+CC(C)OC(=O)COc1c(C#N)c(NCc2c(ccc(-c3cc(ccc3)F)c2)F)c(cc1)F	52
+c1c(c(c(NCc2c(OC)c(cc(-c3cc(F)ccc3)c2)C)c(F)c1)C)OCC(=O)O	887
+c1cc(cc2c1CCCC2Nc3cc(OCC(=O)O)ccc3)-c4cc(ccc4)F	887
+CC(C)OC(COc1cccc(c1)N=C2CCCc3ccc(cc23)-c4cccc(F)c4)=O	7891
+CC(C)OC(COc1cc(ccc1)NC2CCCc3ccc(cc23)-c4cccc(c4)F)=O	7892
+FC(F)(F)C(NCCCN(C)C(OC(C)C)=O)=O	66
+FC(F)(F)c1c(cc2C(=O)CC(N(C(=O)OC(C)C)c2c1)C)F	1199
+CC(C)OC(Nc1c(c(ccc1)F)C(OC)=O)=O	90
+c1(nc(nc(N)c1NC(=O)OC(C)C)-n2c3c(c(Cc4ccccc4F)n2)ncc(F)c3)N	7893
+CC(C)OC(Nc1cc(-c2[nH]c3ncc(cc3n2)Br)c(Cl)cc1)=O	90
+CC(C)OC(=O)Nc1cc(F)cc(F)c1	90
+CC(C)OC(Nc1c(C(OC)=O)ccc(Br)c1)=O	90
+CC(C)OC(N1c2c(N(C(C1)C)C(C)=O)ccc(Br)c2)=O	1199
+c1cc(ccc1CN)-c2n3nc(NCCCN(C)C(OC(C)C)=O)ccc3nc2	1414
+CC(C)OC(=O)N1c2cc(c([N+](=O)[O-])cc2N(C(C)=O)C(C)C1)Br	31
+c1cc(ccc1-c2cc3c(cc2)N(C(=O)C)C(C)CC3N)C(=O)OCC	4350
+CC(C)OC(=O)N(c1cccc(F)c1C(OC)=O)CCCC(OCC)=O	7894
+CC(C)OC(=O)c1cccnc1N2CCC(N(CC)Cc3sc(c(C)c3)C)C2	509
+CC(C)OC(=O)c1cccnc1N2CC(CC2)N(Cc3cccc(c3)CC)C	48
+CC(C)OC(=O)c1cc(C#N)c(nc1C)Cl	137
+CC(C)OC(=O)c1c(N2CCC(NCc3cccc(CC)c3)C2)nccc1	42
+C[Si](C)(C)C#Cc1cccc(C(=O)OC(C)C)c1	263
+CC(C)OC(=O)c1cccc(c1)C#Cc2cc(F)c(CC(OCC)=O)cc2	129
+CC(C)Oc1c(cc(C(=O)O)cn1)Cl	7895
+CC(C)OC1CC=C(c2c(C)c(C(=O)O)no2)CC1	6
+CC(C)OC1CCC(CC1)N2CCC(CC2)Nc3cc(c(F)cc3[N+](=O)[O-])C	60
+CC(C)OC1CCC(CC1)N2CCC(CC2)Nc3c(cc(c(c3)C)F)N	0
+CC(C)OCC(CC)OCC(CC)O	850
+FC(F)(F)C(=O)OC(CC)COC(CC)COC(C)C	4352
+CC(C)OCC(O)CO	265
+CC(C)OCCCNc1c2ccc(cc2ncc1[N+](=O)[O-])Br	105
+CC(C)OCCCn1c(nc2c1c3ccc(Br)cc3nc2)COCC	546
+CC(C)OCCCNc1c2ccc(cc2ncc1N)Br	13
+CC(C)OCCCn1c2c3c(cc(N4C(C=CC=C4)=O)cc3)nc(N)c2nc1COCC	7896
+CC(C)OCCCn1c(nc2c1c3c(nc2N)cc(Br)cc3)COCC	461
+CC(C)OCCCn1c(nc2c(N)nc3c(ccc(N4CCCC4=O)c3)c12)COCC	461
+c12c(C(=O)N(C1=O)OCCCOCOC(C)C)cccc2	1395
+CC(C)ON=C(C(NC1C2SCC(CSc3nnnn3C)=C(N2C1=O)C(=O)O)=O)c4nc(sc4)N	999
+CC(C)Oc1c2cc[nH]c2ncc1	624
+n1c(cn(CCCCCCCC(OC)=O)c1)-c2ccccc2O	1206
+c1ccccc1-n2c(c(OC(C)C)c(Br)c2Br)C(O)=O	6
+c1cc(ccc1C(OC)OC)-c2nc(-c3cc(Br)c(OC(C)C)cc3)no2	1416
+FC(F)(F)C(Nc1ccc(OC(C)C)c(Br)c1)=O	759
+CC(C)Oc1c(ccc(OCC)c1)Br	116
+CC(C)Oc1c(Br)ccc2oc(C(O)=O)c(C)c12	6
+CC(C)Oc1c(ccc2c1c(c(CO)o2)C)Br	2184
+CC(C)Oc1c(C#N)cc(-c2onc(-c3ccc(cc3Cl)OCCCCN(C)C)n2)cc1	28
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3cccc4c3CCC4N5CC(C5)O)cc1	7897
+CC(C)Oc1c(C#N)cc(-c2onc(-c3cccc4C(NCC(CCl)O)CCc34)n2)cc1	122
+CC(C)Oc1c(C#N)cc(-c2onc(-c3c4c(C(NCCS(=O)(=O)C)CC4)ccc3)n2)cc1	4353
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(s2)-c3c(c(ccc3)CCC(=O)OCC)CC	159
+C[Si](C)(C)CCOCOc1cc(c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)cc1)Cl	529
+C[Si](C)(C)CCOCOc1ccc(cc1)-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2	910
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3c4c(C(O)CCC4)ccc3)cc1	529
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(-c3c(CC)c(CCC=O)ccc3)s2	578
+CC(C)Oc1c(c(c(OCc2ccccc2)cn1)C(=O)OC)C	128
+CC(C)Oc1cc(-c2cn(nc2)C)c3ccnc(O)c3c1C	320
+CC(C)Oc1ccc(c(c1Cl)COS(=O)(=O)C)Cl	7
+CC(C)Oc1ccc(cc1Cl)-c2c(C=O)cn(n2)C3OCCCC3	1196
+CC(C)Oc1ncc(OCc2cc(F)c(cc2F)C(OCC)=O)cc1Cl	483
+CC(C)Oc1ncc(Oc2c(cc(cc2)C#N)Br)cc1Cl	551
+CC(C)Oc1c(Cl)cc(F)c(N2C(C3=C(CCC3)N(C)C2=O)=O)c1	7898
+CC(C)Oc1c(Cl)cc(c(N2C(C3=C(NC2=O)CCC3)=O)c1)F	7899
+CC(C)Oc1ccc(cc1I)C(=N)NO	181
+CC(C)Oc1c(cc(I)cc1)OCC	116
+CC(C)Oc1c(O)cc(I)cc1	173
+CN(C)CCOc1ccc([N+]([O-])=O)c(OC(C)C)c1	57
+CC(C)Oc1ncc(O)c(c1C)C(=O)OC	321
+c1ccccc1COc2c(c(C)cc(n2)C)CN3CCc4cnc(c(c4C3=O)Cl)OC(C)C	4354
+CC(C)Oc1c(cc(cc1)-c2ncc(cn2)-c3c(c(ccc3)OCCCC(=O)OCC)CC)C#N	1207
+CC(C)Oc1ccc(C#C)cc1C(NC(CO)Cc2c[nH]c3ccccc23)=O	14
+CC(C)Oc1ncc(cc1Cl)-c2onc(-c3cncc4[nH]ccc34)n2	7900
+CC(C)Oc1ncc(-c2onc(-c3c(cc4c(cn[nH]4)c3)F)n2)cc1Cl	1828
+CC(C)Oc1ncc(-c2nc(-c3cc4c(n(CCCC(=O)OCC)nc4)cc3C)no2)cc1Cl	7901
+COc1c(cc(C(=O)C)c(I)c1)O	1206
+O=S(=O)(c1c(Nc2nc(Nc3c(OC(C)C)cc(c(Br)c3)C)ncc2C)cccc1)C(C)C	55
+c1cc(ccc1CCC)-c2nc(-c3cc(I)c(OC(C)C)cc3Cl)no2	2185
+CC(C)Oc1cc(c(I)cc1OC)C(O)C	4355
+CC(C)Oc1c(cc(cc1)-c2ncc(cn2)-c3c(c(ccc3)OCCCC(O)=O)CC)C#N	3
+CC(C)Oc1c(cc(C#C)cc1)C(O)=O	1
+CC(C)Oc1ccc(cc1Cl)-c2onc(c2)C(=O)OCC	1208
+CC(C)Oc1ccc(cc1C(=O)NC(CO)Cc2c[nH]c3ccccc23)I	14
+CC(C)Oc1cc(ccc1C#N)OCC	160
+CC(C)Oc1c2c(ccc1OC)C(CCC2)=O	1720
+CC(C)Oc1c2c(C)c(oc2ccc1Br)CCl	7902
+CC(C)Oc1c(OC(C)=O)cc(cc1)I	694
+c1ccccc1OC(Nc2ncc(c(OC(C)C)c2)C#N)=O	278
+O(C)c1c2-c3c(O)cccc3C(=O)c2ccc1	1206
+c1cc(ccc1S(=O)(=O)n2c3c(c(OC(C)C)ccn3)c(c2)I)C	276
+CC(C)Oc1c2c(C(CCC2)=C)ccc1OC	1707
+CC(C)Oc1c2c(c[nH]c2ncc1)I	1361
+CC(C)Oc1c(C)c2c(c(c1)Br)ccnc2O	7903
+CC(C)Oc1c(c2c[n+]([O-])ccc2c(Br)c1)C	103
+CC(C)Oc1cc(C(O)=O)cc(c1)Br	329
+CC(C)Oc1cc(C(=O)Nc2ccc(cn2)C(O)=O)cc(OCC(C)C)c1	1
+O=S(=O)(c1ccccc1S(=O)(=O)N)NC(=O)c2ccc(c(OC(C)C)c2)Br	258
+CC(C)Oc1cc(C(=O)O)ccc1Br	1
+CCOP(OCC)(c1sc(C(c2cc(cc(C(O)=O)c2)OC(C)C)O)cc1)=O	7904
+CC(C)Oc1ccc(CO)c(c1)C	41
+CC(C)Oc1cc(c(cc1OC)Br)C(O)C	4355
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2C)[N+]([O-])=O)OC(C)C	632
+c1cc(ccn1)-c2cc(OC(C)C)c(cc2C)[N+]([O-])=O	7905
+COc1cc(Br)c(cc1O)C(=O)C	1206
+CC(C)Oc1c(cc(c(C)c1)Br)N	0
+CC(C)Oc1c(Cl)cc(c(NC(=O)NC=2CCCC=2C(OCC)=O)c1)F	7906
+CC(C)Oc1c(cc(I)c(C(=O)C)c1)OC	155
+CC(C)Oc1ccc(CN2Cc3ccc(cc3CC2)C(C)NC(=O)C)c(C)c1	131
+CC(C)Oc1cc(c(Br)cc1OC)C(C)=O	155
+CC(C)Oc1c(cc(c(c1)C2=CCC(CC2)N(C)C)C)[N+]([O-])=O	7907
+CC(C)Oc1cc(Br)c2c(c1C)c(OC(=O)C)ncc2	174
+CC(C)Oc1cc(cc(c1)C(Nc2ccc(cn2)C(=O)OC)=O)O	16
+CC(C)Oc1cc(Oc2nccnc2)cc3B(O)OC(CC(O)=O)c13	3
+CC(C)Oc1cc(ccc1)-c2cncc3cc(C=C4C(=O)NC(=O)S4)oc23	2025
+CC(C)Oc1cc(ccc1)-c2c3c(cnc2)cc(o3)C=O	2084
+CC(C)Oc1cc(ccc1)C(=O)COc2ccc(cc2)-c3cc(OCOC)no3	702
+c1cc(ccc1OCC(O)c2cccc(OC(C)C)c2)-c3cc(OCOC)no3	74
+O=S1(=O)NCC2(CC(C)N(Cc3cccc(OC(C)C)c3)CC2)N1c4cccc(c4)F	131
+CC(C)Oc1cccc(CCO)c1	95
+CC(C)Oc1cc(CCc2[nH]nc(Nc3ccnc(Cl)n3)c2)ccc1	349
+CC(C)Oc1c(N)ccc(c1)N2CCC3(N(CCC3)CC)C2	0
+O=S(=O)(c1ccc(cc1)C)OC(CC=Cc2cncc(c2)OC(C)C)C	36
+CC(C)Oc1nn(c(c1)CCC(=O)NS(=O)(=O)C(C)C)Cc2c(cc(cc2)Cl)Cl	344
+CC(C)Oc1ccc(-c2nc(no2)-c3cccc(c3CC)CCC(=O)O)cc1Cl	3
+CC(C)Oc1ccc(-c2nc(-c3cccc4ccn(c34)C)no2)cc1Cl	7908
+CC(C)Oc1ccc(-c2nc(no2)-c3ccc(OCC(OCC)=O)c4c3occ4)cc1Cl	52
+CC(C)Oc1ccc(-c2nc(-c3ccc(OCCCC(=O)OCC)c4c3occ4)no2)cc1Cl	8
+CC(C)Oc1ccc(-c2nc(-c3ccc(c4c3occ4)OCCCC(=O)O)no2)cc1Cl	3
+CC(C)Oc1ccc(-c2nc(no2)-c3c4n(C)cc(C=O)c4ccc3)cc1Cl	287
+CC(C)Oc1ccc(-c2nc(-c3c(c(CCC(=O)OCC)ccc3)CC)no2)cc1Cl	7909
+CC(C)Oc1ccc(-c2onc(-c3cccc4c(CNCCC(=O)OCC)cn(C)c34)n2)cc1Cl	249
+CC(C)Oc1ccc(-c2nc(no2)-c3c4c(c(cc3)OCC(O)=O)cco4)cc1Cl	3
+c1(c(cc(-c2nc(on2)-c3cc(c(cc3)OCCC)Cl)cc1)I)O	1206
+CC(C)Oc1ccc(-c2onc(-c3cccc4c(CNCCC(=O)O)cn(C)c34)n2)cc1Cl	3
+CC(C)Oc1ccc(-c2onc(-c3cccc4c3n(cc4CN5CCC(CC5)C(=O)O)C)n2)cc1Cl	3
+c1cc(ccc1C#Cc2ccc(c(C(=O)NC(CO)Cc3c[nH]c4ccccc34)c2)OC(C)C)C(=O)O	129
+CC(C)Oc1ccc(cc1C(O)=O)C#Cc2ccccc2OC	1
+CC(C)Oc1ccc(cc1Cl)-c2nc(-c3c4c(ccc3)n(CCC(=O)OCC)nc4)no2	7910
+C[Si](C)(C)CCOCOc1c2ccoc2c(-c3noc(n3)-c4cc(Cl)c(cc4)OC(C)C)cc1	7911
+CC(C)Oc1ccc(-c2nc(no2)-c3c(c(ccc3)Br)CC)cc1Cl	529
+CC(C)Oc1ccc(-c2nc(-c3ccc(Br)c4c3ccn4CC)no2)cc1Cl	529
+CC(C)Oc1c(cc(C(=O)O)cc1)C	1
+CC(C)Oc1c(cc(cc1)C(CC(C(OCC)=O)=O)=O)Cl	633
+CC(C)Oc1ccc(COc2ccc3c(c(c4C(CC(=O)O)CCn34)Cl)c2)cc1C#N	573
+CC(C)Oc1c(Cl)c(c(cc1)Cl)CO	49
+CC(C)Oc1ccc(Cl)c(c1Cl)C(O)=O	634
+CC(C)Oc1cc2c([nH]nc2N)cc1	7912
+C1CN(CCC1=Cc2cc(Oc3ccc(cn3)OC(C)C)ccc2)C(=O)Nc4nnccc4	437
+CC(C)Oc1c(cc(S(=O)(=O)C)cc1)C(N2Cc3c(c(F)ccc3)C2)=O	7913
+CC(C)Oc1ccc(cc1C(N2CC(OS(=O)(=O)C)CC2)=O)S(=O)(=O)C	7
+CC(C)Oc1ccc(cc1C(N2CCC(Oc3c(cc([N+](=O)[O-])cc3)F)C2)=O)S(=O)(=O)C	20
+CC(C)Oc1ccc(cc1C(N2CCC(Oc3c(cc(cc3F)C(=O)CC)F)C2)=O)S(=O)(=O)C	20
+FC(F)(F)c1cccc2c1CN(CC2)C(c3cc(S(=O)(=O)C)ccc3OC(C)C)=O	30
+CC(C)Oc1ccc(S(=O)(=O)C)cc1C(=O)N	169
+CC(C)Oc1ccc(N)c(C#N)c1	0
+CC(C)Oc1ccc(cc1)-c2cc(cc(n2)-c3ncccc3)F	4356
+c1cc(ccc1-n2c(C(=O)OCC)c(c3cc(-c4ccc(cc4)OC(C)C)ccc23)Br)OC(C)C	1194
+O=S(=O)(c1c(Cl)ccc(Cl)c1)Nc2ccc(c(c2)-c3nc4cc(-c5ccc(cc5)OC(C)C)ccc4o3)Cl	69
+CC(C)Oc1ccc(cc1)-c2cc3c(cc2)oc(n3)-c4cc(N)ccc4Cl	0
+CC(C)Oc1c(Br)cc(cc1)N	0
+O=S(=O)(c1cc(C(=O)N2CCC(Oc3ccc4ccccc4c3)C2)c(cc1)OC(C)C)C	624
+c1ccccc1C#Cc2cc(C(NC(C(OC)=O)(Cc3c4c([nH]c3)cccc4)C)=O)c(OC(C)C)cc2	259
+CC(C)Oc1c(C(=O)NC(CO)Cc2c3ncccc3[nH]c2)cc(cc1)C#Cc4ccccc4OC	14
+CC(C)Oc1c(cc(cc1)I)C(O)=O	1
+CC(C)Oc1ccc(C#Cc2ccccc2OC)cc1C(=O)OC	129
+c1ccccc1C#Cc2ccc(OC(C)C)c(C(=O)OC)c2	129
+CC(C)Oc1c(cc(cc1)-c2c(C=O)cn[nH]2)Cl	747
+CC(C)Oc1ccc(-c2cc(no2)COc3ccc(cc3)C#N)cc1Cl	20
+CC(C)Oc1ccc(-c2cc(C(O)=O)no2)cc1Cl	6
+CC(C)Oc1ccc(cc1Cl)-c2cc(no2)CO	194
+CC(C)Oc1ccc(-c2noc(-c3cc(Cl)c(cc3)OCCC)n2)cc1I	529
+O=S(=O)(c1c(OC(C)C)ccc(-c2ccc(C(NC)=O)c(c2)Cl)c1)NC(Cc3c[nH]c4c3cccc4)CO	11
+CC(C)Oc1cnc(cc1)C=O	178
+CC(C)Oc1ccc(nc1)CO	59
+CC(C)Oc1cccc(c1)CC=O	24
+CC(C)Oc1cc(C)c(cc1)C=O	151
+CC(C)Oc1cc(ccc1)CC(O)C	2700
+CC(C)Oc1cc(ccc1)CCc2cc(N)[nH]n2	4357
+c1ccccc1-c2c3cccc(OC(C)C)c3nc(C)n2	198
+CC(C)Oc1c2-c3c(cccc3OC)C(c2ccc1)=O	7914
+CC(C)Oc1c(cccc1)OC(=O)C	385
+CC(C)Oc1ccc(C(C)=O)nc1	955
+CC(C)Oc1cnc(cc1)C(O)C	4224
+CC(C)Oc1cc(cnc1)C=CCC(C)O	1514
+CC(C)Oc1n[nH]c(Nc2c(cnc(Cl)n2)[N+]([O-])=O)c1	349
+CC(C)Oc1n[nH]c(Nc2nc(Cl)ccc2[N+](=O)[O-])c1	346
+n1cc(cnc1C(C)Nc2ncc3c(n2)n(-c4n[nH]c(c4)OC(C)C)cn3)F	2610
+CC(C)Oc1cc(n[nH]1)-n2c3c(cnc(NC(c4ccc(F)cn4)C)n3)nc2	2610
+CC(C)Oc1n[nH]c(Nc2c([N+](=O)[O-])cnc(n2)NC(c3ccc(F)cn3)C)c1	96
+CC(C)Oc1n[nH]c(Nc2c([N+](=O)[O-])cnc(NC(C)c3ncc(cn3)F)n2)c1	96
+CC(C)Oc1cc([nH]n1)Nc2c(ccc(n2)NC(C)c3ncc(F)cc3)[N+]([O-])=O	70
+CC(C)Oc1ncc(-c2nc(-c3cc4c(n(CCCC(O)=O)nc4)cc3C)no2)cc1Cl	3
+CC(C)Oc1ncc(-c2onc(-c3cc4c(cc3F)n(nc4)CCCC(=O)OCC)n2)cc1Cl	1090
+CC(C)Oc1ncc(-c2onc(-c3cc4cnn(CCCC(O)=O)c4cc3F)n2)cc1Cl	3
+CC(C)Oc1ncc(OCc2c(cc(c(F)c2)C(=O)O)F)cc1Cl	6
+CC(C)Oc1ncc(Oc2c(-c3c(nccc3)OC)cc(cc2)C(=O)N)cc1Cl	216
+CC(C)Oc1ncc(Oc2ccc(C(=O)NS(=O)(=O)C)cc2-c3c(nccc3)OC)cc1Cl	4358
+CC(C)Oc1ncc(Oc2c(-c3c(nccc3)OC)cc(C#N)cc2)cc1Cl	305
+CC(C)Oc1ncc(cc1Cl)-c2nc(no2)-c3cncc4n(ccc34)CCCC(O)=O	3
+CC(C)Oc1ncc(cc1Cl)-c2nc(no2)-c3cncc4n(ccc34)CCCC(=O)OCC	7915
+CC(C)Oc1ncccc1Nc2ncnc3sc(c(C)c23)C(OC)=O	4359
+CC(C)Oc1ncccc1Nc2c3c(C)c(sc3ncn2)C(=O)O	1
+CC(C)Oc1ncccc1N	13
+CC(C)Oc1cc(n(n1)Cc2c(cc(cc2)Cl)Cl)CCC(=O)O	3
+CC(C)Oc1nn(Cc2c(cc(cc2)Cl)Cl)c(CCC(OCC)=O)c1	1253
+CC(C)Oc1nn(c(C=O)c1)Cc2ccc(cc2Cl)Cl	178
+CC(C)Sc1nc(C(OCC)=O)ccn1	1721
+CC(C)Sc1c(cc(cc1)[N+](=O)[O-])C=O	972
+CC(C)Sc1c(cc([N+]([O-])=O)cc1F)C=O	411
+CC(C)Sc1ccccc1C=O	411
+O=S(=O)(C(C)C)NC(c1ccc(cc1)Oc2cc(N3N=C(N(C3=O)C(F)F)C)c(F)cc2Cl)=O	2909
+CC(C)S(=O)(=O)NC1CCCCC1(O)c2ccc(cc2)OC	1035
+c1cc(ccc1-c2ccc(cc2)CC#N)C3CCCC3NS(=O)(=O)C(C)C	756
+c1cc(ccc1-c2ccc(cc2)C#N)C3CCCC3NS(=O)(=O)C(C)C	134
+CC(C)S(=O)(=O)NC1CCCC1c2ccc(cc2)N	0
+CC(C)S(=O)(=O)NC1C(CCC1)c2ccc(cc2)I	184
+CC(C)S(=O)(=O)NC1C(CCC1)c2ccc(cc2)[N+]([O-])=O	77
+C1CC(CCC1NS(=O)(=O)C(C)C)CNc2scc(-c3cccc(Br)n3)n2	3282
+O=S(=O)(NC1C(CCC1)=O)C(C)C	86
+CC(C)S(=O)(=O)NC1CCCC1c2ccc(cc2)NS(=O)(=O)C	80
+CC(C)S(=O)(=O)NC1C(=O)CCCC1	86
+c1cc(ccc1-n2nccc2NS(=O)(=O)C(C)C)Br	4360
+CC(C)S(=O)(=O)Nc1c(C(=O)O)cnn1-c2ccc(cc2)Br	6
+CC(C)S(=O)(=O)c1ccc(N)cc1C#N	0
+O=S(=O)(c1cc(C#N)ccc1C=O)C(C)C	2910
+CC(C)S(=O)(=O)c1ccccc1Nc2nc(ncc2Cl)Cl	73
+O=S(=O)(c1ccccc1Nc2nc(ncc2C)Cl)C(C)C	73
+O=S(=O)(c1ccccc1Nc2nc(ncn2)Cl)C(C)C	360
+CC(C)S(=O)(=O)c1ccccc1Nc2cc(ncc2Cl)Nc3c(cc(-c4ccc(cc4)C(OC)=O)c(c3)C)OC	7916
+O=S(=O)(NC(Nc1nc(C)cc(n1)C)=O)c2ccccc2S(=O)(=O)C(C)C	1722
+CC(C)S(=O)(=O)c1ccc(NC(=O)N(C)C)cc1C#N	2083
+O=S(=O)(C(C)C)c1ccc(cc1CN)NC(=O)N(C)C	107
+C[Si](C)(C)C#Cc1c(N)ncc(-c2ccc(cc2)S(=O)(=O)C(C)C)n1	4345
+CC(C)c1nc2c(n1-c3cccc(Oc4cc(S(=O)(=O)C(C)C)ccc4)c3)cccc2Cl	46
+CC(C)S(=O)(=O)c1ccccc1Nc2nc(Nc3cc(c(C4CCN(CC4)S(=O)(=O)C)c5CC(C)Oc35)C)ncn2	112
+CC(C)S(=O)(=O)c1ccccc1Nc2nc(Nc3cc(P(C)(C)=O)ccc3OC)ncc2Cl	55
+CC(C)S(=O)(=O)c1c(cccc1)S(=O)(=O)N=C=O	4361
+CC(C)SC(C)(C)C(C(O)=O)NC(=O)OCC	544
+CC(C)SCCCCCCCCCCCC(=O)Nc1ccccc1OCCCC(=O)N	728
+CC(C)SCCCCCCCCCCCC(=O)Nc1ccccc1OCCCC(OCC)=O	33
+CC(C)Sc1c(C=C)cc(cc1)[N+]([O-])=O	443
+CC(C)Sc1ccccc1C=C	443
+c1cc(ccc1)C(=O)Oc2cc(Cl)c(c(c2)Cl)OCCCOc3ccc(cc3)-n4c(SC(C)C)nnn4	20
+c1cc(ccc1OCCC(Br)O)-n2c(nnn2)SC(C)C	1791
+CC(C)Sc1nc(ccn1)CO	194
+Fc1cc(cc(F)c1OCc2ccnc(SC(C)C)n2)CCC(=O)OCC	20
+c1cc(ccc1OC)COc2cc(C(O)C(C)C)c(-c3cc(ccc3F)OC)cc2	4257
+CC1(C)Oc2c(cc(Br)c(c2Cl)OCC)C(=C1)C(C)C	2911
+CC1(C)Oc2cc(OC)c(cc2C(=C1)C(C)C)Br	2911
+CC1(C)C=C(c2c(cc(OCC)c(c2)Br)O1)C(C)C	2911
+CC1(C)c2c(cc(Br)c(C)c2)C(CC1)(C(C)C)O	7917
+CC(C)C(O)c1cc(C)c(cc1O)OC	4362
+CC(C)C(O)c1cc(Br)ccc1O	4362
+CC(C)[SiH](C(C)C)c1c(cc(cc1C)OCCCOC2CCCCO2)C	7918
+CC(C)[SiH](C(C)C)c1c(C)cc(cc1C)OCCC(=O)NCc2ccccc2	9
+CC(C)[SiH](C(C)C)c1c(C)cc(cc1C)OCCCO	168
+c1nc(NC2c3c(ccc(c3)C#C)N(C(C)C2)C(=O)C)ccc1C	7919
+CC(C)[Si](C(C)C)(C(C)C)C#Cc1ccc2N(C(C)CC(c2c1)Nc3ccc(cn3)C)C(=O)C	340
+CC(C)[Si](C(C)C)(C(C)C)c1cccc(c1C(=O)N(CC)CC)Cl	1091
+CC(C)[Si](C(C)C)(C(C)C)OCCc1cc(F)cc(F)c1	19
+CC(C)[Si](C(C)C)(C(C)C)OCc1c(N)ncc(Br)c1	19
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(c(ccc1)[N+]([O-])=O)N	154
+CC(C)[Si](C(C)C)(C(C)C)n1c2c(c(C=O)c1)cccn2	7920
+CC(C)[Si](C(C)C)(C(C)C)c1cc(ccc1)-c2ccccn2	1803
+CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)ccc12	7921
+CC(C)[Si](C(C)C)(C(C)C)OCCCC(O)COCc1ccccc1	19
+CC(C)[Si](C(C)C)(C(C)C)OCC(COCc1ccc(cc1)Br)C	19
+CC(C)[Si](C(C)C)(C(C)C)Oc1ccc(cc1)C=O	154
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)Br	19
+CC(C)[Si](C(C)C)(C(C)C)OCC#Cc1cc2OCCN3c2c(c1)C(=O)C(C(NCc4ccc(cc4)Cl)=O)=C3	4177
+CC(C)[Si](C(C)C)(C(C)C)Oc1cccc2[nH]ccc12	154
+CC(C)[Si](C(C)C)(C(C)C)OC1CN(CC1)c2n3c(ccc(c3)OC4CCC(c5c4cccc5)N)nn2	870
+CC(C)[Si](C(C)C)(C(C)C)OCC(c1ccccc1)C(Nc2cc3c(cncc3)cc2)=O	33
+CC(C)[Si](C(C)C)(C(C)C)OCC(C(=O)O)c1ccccc1	4
+c1cc(ccc1)C(CO)C(Nc2ccc3c(c2)ccnc3)=O	1209
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)CC(OC)=O	774
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)=CC(=O)OC	1513
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)CC(=O)N2C(COC2=O)Cc3ccccc3	2912
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)CC(=O)O	4
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)=O	86
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCN(C1)c2nnc3n2cc(cc3)OC4CCC(c5c4cccc5)N	870
+c1ccccc1COCC(OS(=O)(=O)C)CCCO	1209
+CC(C)[Si](C(C)C)(C(C)C)OCCCC(COCc1ccccc1)OS(=O)(=O)C	7
+CC(C)[Si](C(C)C)(C(C)C)OCCN1CCN(CC1)c2nnc3ccc(OC4CCC(c5c4cccc5)N)cn23	870
+CC(C)[Si](C(C)C)(C(C)C)OCCc1cc(F)c(c(c1)F)C=NOCC	135
+Fc1cc(cc(F)c1C=NOCC)CCO	1209
+CC(C)[Si](C(C)C)(C(C)C)OCCc1cc(F)c(c(F)c1)C=O	151
+CC(C)[Si](C(C)C)(C(C)C)OCc1c2nccn2cc(Br)c1	4363
+o1c(cc(CO)c1C)C(=O)OC	1209
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)C(O)c2cc(ccc2)C#N	257
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)C(CNC(OC(C)(C)C)=O)C(=O)Nc2ccc(C(=O)N)c(F)c2	33
+CC(C)(C)OC(=O)NCC(c1ccc(cc1)CO)C(=O)Nc2ccc(C(=O)N)c(F)c2	1209
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)C(c2cc(ccc2)C#N)OC3OCCCC3	219
+c1cc(ccc1CO)C(c2cc(ccc2)C#N)OC3OCCCC3	1209
+CC(C)[Si](C(C)C)(C(C)C)OCc1nonc1C=2N(c3ccc(c(c3)Cl)F)C(ON=2)=O	7922
+O=C1N(C(=NO1)c2c(non2)CO)c3cc(Cl)c(F)cc3	1209
+CC(C)[Si](C(C)C)(C(C)C)OC1CN(c2nnc3n2cc(cc3)F)CC1	655
+CC(C)[Si](C(C)C)(C(C)C)OCC1CN(CC1)c2n3cc(ccc3nn2)F	655
+CC(C)[Si](C(C)C)(C(C)C)n1ccc(c1-c2ccc(cc2)F)-c3ccncc3	7923
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=O)F	24
+CC(C)[Si](C(C)C)(C(C)C)Oc1cccc2nc(cnc12)O	7924
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(N)c(ccc1)N	0
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(F)cc(cc1F)CC(CO)CCc2ccc(cc2)C#N	21
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F	1992
+c1c2c(cccc2O)n(-c3ccnc(SC)n3)c1	7925
+CC(C)[Si](C(C)C)(C(C)C)Oc1ccc(cc1)C=C	443
+CC(C)[Si](C(C)C)(C(C)C)Oc1c2ccn(-c3nc(SC)ncc3)c2ccc1	2186
+FC(F)(F)c1cc(-c2ocnc2)cc(N3CCN(CC3)C(C)=O)c1	7926
+CC(C)[Si](C(C)C)(C(C)C)c1oc(-c2cc(cc(C(F)(F)F)c2)N3CCN(CC3)C(C)=O)cn1	7927
+CC(C)[Si](C(C)C)(C(C)C)n1cc(c2c1nccc2)C(O)c3c(F)nc(NCc4ccccc4Cl)cc3	7928
+CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(cccc12)N(C(CNC)=O)c3ccccc3	402
+Clc1c2cc[nH]c2ncc1Br	1723
+c1(F)c2cc[nH]c2ncc1Br	1723
+c1cc(ccc1-c2c(-c3cc(F)ncc3)c(C4=CCN(C(OCC=C)=O)CC4)c[nH]2)F	7929
+c12c(C(c3c(F)nc(cc3)NCc4c(Cl)cccc4)O)c[nH]c1nccc2	1723
+C1COCCN1Cc2c[nH]cc2	7930
+c1ccccc1N(C(=O)CNC)c2c3cc[nH]c3ccc2	7931
+c1ccccc1COC(=O)c2cc3cc[nH]c3nc2	1723
+c1(F)c2cc[nH]c2ncc1Cl	1723
+CC(C)[Si](C(C)C)(C(C)C)n1c2ccc(C(C3(c4ccccc4)CN(C(=O)OC)CC3)O)cc2cc1	1482
+CC(C)[Si]1(C(C)C)O[Si](C(C)C)(C(C)C)OC2C(O)C(n3c4ncnc(N)c4c(C(N)=O)c3)OC2CO1	7932
+c1cc(ccc1)Cn2c3cc(ccc3c(C=O)c2C(C)C)C(OCC)=O	190
+CC(C)c1[nH]nc(c1Cc2c(OCc3ccccc3)cccc2)OC4OC(C(C(C4O)O)O)CO	59
+CC(C)c1c(c(OC2OC(C(C(C2O)O)O)CO)n[nH]1)Cc3ccccc3O	16
+c1ccccc1COc2ccc(-c3nc(ccc3)-n4c(ccc4C)C)c(C(C)C)c2	119
+CC(C)c1c(c2c(cc(C(O)=O)cc2)n1Cc3ccccc3)C(=O)NCc4cc(F)c(cc4)F	6
+CC(C)c1c(c2c(cc(cc2)CO)n1Cc3ccccc3)C(NCc4cc(F)c(cc4)F)=O	217
+CC(C)c1n(c2c(c1C(=O)NCc3cc(F)c(cc3)F)ccc(C(O)=O)c2)Cc4occn4	6
+c1cc(ccc1F)-n2c(CO)c(C(C)C)c(C(OC)=O)n2	629
+CC(C)c1c(C(=O)OC)c(c(CC)n1Cc2ccccc2)CCCC	4364
+CC(C)c1n(Cc2ccccc2)c(c(CCCC)c1C(=O)O)CC	1
+CC(C)c1c([nH]c(C)c1C(=O)OCC)I	3989
+CC(C)c1c(CO)c(c(C(=O)OCC)c(n1)C(C)C)-c2ccc(cc2)F	351
+CC(C)c1c(CO)cccn1	351
+c1c(Cl)c(c(cc1)Cl)SCc2c(c(C(C)C)on2)COC	1043
+CC(C)c1c(C(=O)O)n(-c2ccc(cc2)F)nc1C(=O)OC	426
+CC(C)c1nc(c(CO)c(-c2ccc(cc2)S(=O)C)c1C=CCCC)C(C)C	357
+CC(C)c1c(cc2OCOc2c1)CCO	21
+c1cc(ccc1F)-c2c(CCl)c(nc(C(C)C)c2C(OCC)=O)C(C)C	447
+CC(C)c1c(cccn1)CCl	1045
+CC(C)c1c(COc2cc(C)c(cc2)C=COC)n(nc1)-c3c(Cl)cccc3Cl	1417
+c1c(Cl)c(c(cc1)Cl)-c2c(c(on2)C(C)C)COc3cc(c(cc3)-c4cc5c(s4)cccc5C(=O)O)C	2187
+CC(C)c1cc(S(=O)(=O)Cl)ccc1Cl	4365
+CC(C)c1c(N)ncnc1N2CCC(c3n(cc(-c4cc(c(cc4)F)C)n3)CCO)C(F)C2	54
+Cc1cc(cc(C)c1Oc2nnc(Cl)c(C(C)C)c2)CC(OC)=O	1119
+Clc1cc(cc(Cl)c1Oc2cc(c(Cl)nn2)C(C)C)CCO	1119
+CC(C)c1c(N)ncnc1N2CCC(C(F)C2)c3n(CCNC)cc(-c4cc(c(cc4)F)C)n3	1130
+C1C(CC1)C(c2c(c(C(C)C)ccc2)O)(O)C	1033
+CC(C)c1cc(C(C)C)ccc1O	4366
+O=S(=O)(Oc1ccc(cc1C(C)C)OC)c2ccc(cc2)C	1163
+CC(C)c1c(OC)cccc1	65
+CC(C)c1cc(ccc1O)Cl	662
+CC(C)c1cc(cnc1Cl)[N+](=O)[O-]	137
+c1c(Cl)c(c(cc1N2N=C(C(NC2=O)=O)C#N)Cl)Sc3cc(C(C)C)c(O)nn3	3298
+CC(C)c1c(OC)cc(c(Oc2c(Br)cc(cc2Br)CC(O)=O)c1)C(c3cc(C)ccc3)=O	4
+CC(C)c1c(ccc(C(O)c2c(C)cc(cc2)OC)c1C)OC	257
+O=S(=O)(Cl)c1ccc(c(c1)C(C)C)OC	240
+c1cc(ccc1)COc2c(C(C)C)cc(-c3onc(c3)C(=O)OCC)c(OCc4ccccc4)c2	1208
+c1cc(ccc1)Nc2c(Oc3c(cc(c(C)c3)OC)C(C)C)cnc(N)n2	73
+CC(C)c1c(Oc2c(Cl)nc(nc2)N)cc(c(OC)c1)C	64
+CC(C)c1ccc(Cl)cc1[N+](=O)[O-]	594
+CC(C)c1cc(C(C)C)c(c(Br)c1)OCCC	116
+CC(C)c1cccc(C)c1CCl	109
+CC(C)c1[nH]nc(c1Cc2ccccc2OCc3cccc(Cl)c3)OC4OC(C(C(C4O)O)O)CO	22
+CC(C)c1cc(c(c(c1)C(C)C)OC)-c2csc3c2cc(C(C)=CC(OC)=O)cc3	65
+CC(C)c1c(c(cc(Oc2c(cc(N)c(C)c2Br)Br)c1)CO)O	0
+CC(C)c1c(c(C)ccc1)CO	41
+CC(C)c1onc(c1CC(=O)NCc2c(cc(F)cc2)Cl)C(C)C	9
+CC(C)c1c(c(no1)COc2c(Cl)cccc2Cl)COc3cc4c(cc3)n(cc4)Cc5cc(ccc5)C(=O)O	1
+CC(C)c1ccc(c(c1)OCc2c3ccccc3c(nc2C)-c4c(ccc5[nH]ncc45)C(C)C)C	7933
+c1ccccc1Cn2c3cc(O)ccc3c(C(NCc4cc(F)c(cc4)F)=O)c2C(C)C	5
+c1cc(ccc1)Cn2c3cc(ccc3c(C(NCc4cc(F)c(cc4)F)=O)c2C(C)C)C=O	39
+CC(C)c1nn2c(c(CO)ccc2OC)c1C(O)=O	426
+CC(C)c1c(c2ccc(O)cc2n1Cc3ccccn3)C(=O)NCc4cc(F)c(cc4)F	5
+c1cc(ccc1)S(=O)(=O)n2cc(c(C(C)C)c2Br)C(=O)OC	917
+CC(C)c1c(C(O)=O)cc([nH]1)-c2ccnc(C=Cc3ccccc3)c2	6
+CC(C)c1c(cc(c(B(O)O)c1)OC)F	493
+CC(C)c1c(cc(OC)c(OC)c1)Cc2cnc(nc2NCC)SC	40
+CC(C)c1cc(OC)c(OC)cc1Cc2c(nc(S(=O)(=O)C)nc2)NCC	528
+FC(F)(F)c1cc(N)c(cc1C)-c2cc(c(F)cc2OC)C(C)C	134
+FC(F)(F)c1ccc(-c2cc(C(C)C)c(cc2OC)F)c(CO)c1	134
+c1ccccc1-c2c(C(C)C)nc(c(C#N)c2)N3CCNC(C)C3	43
+CC(C)c1ccc(Br)cc1C(O)c2cc3N(Cc4ccccc4)CCOc3cc2	257
+c1ccccc1CN2c3c(CCC2)ccc(c3)C(O)c4cc(Br)ccc4C(C)C	257
+CC(C)c1c(CC(O)=O)cc2OCOc2c1	270
+CC(C)c1cc(Oc2c(Br)cc([N+](=O)[O-])c(C)c2Br)ccc1O	5
+CC(C)c1c(ccc(Oc2c(Br)cc([N+](=O)[O-])c(C)c2Br)c1)OC	4367
+c1(Br)cc(cc(Br)c1Oc2cc(c(cc2)OC)C(C)C)CC(OC)=O	4367
+CC(C)c1cccc2C(=O)C(Nc12)=O	1418
+CC(C)c1[n+]([O-])cccc1CCl	103
+FC(F)(F)c1cnc(cc1)-n2nc(C(C)C)c(c2)C(=O)OCC	1706
+CC(C)c1cc(Cl)ncc1CO	382
+CC(C)c1cc(ncc1C(O)C)Cl	2129
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3ccc(c(c3)C)-c4cc(OCCCC)c(C(O)=O)cc4	500
+CC(C)c1c(COc2cc(C)c(cc2)C=O)n(nc1)-c3c(Cl)cccc3Cl	146
+CC(C)c1c(n2ncc(Br)c2nc1C)OC	4055
+CC(C)c1c(C)nc(nc1Cl)SC	64
+CC(C)c1c(nc(Nc2c(C(=O)N)nnc(c2)Cl)cc1)OC	314
+c1c(C)c(c(cc1N)C)Oc2ccc3[nH]nc(c3c2)C(C)C	0
+CC(C)c1cc(nc2c1c(ccc2C)C)Cl	532
+CC1(C)OB(OC1(C)C)c2cc3c(n(C)cc3C(C)C)c(c2)C(=O)NCc4c(nc(C)cc4C)O	17
+CC1(C)OB(OC1(C)C)c2cnc3c(c(C(C)C)c[nH]3)c2	234
+CC(C)c1c2c(ncnc2sc1)N3C4CC(C(OCCOS(=O)(=O)C)C4)C3	7
+CC(C)c1c2c(ncnc2sc1)N3C4CC(OCCN5CC6CC5CO6)C(C4)C3	123
+CC(C)c1c2cc(Br)cc(C(O)=O)c2[nH]c1	2160
+CC(C)c1c2cc(cc(C(=O)O)c2n(C)c1)Br	144
+CC(C)c1cn(c2c1cc(-c3ccc(nc3)C)cc2C(O)=O)C	305
+CC(C)c1c2c(c(cc(c2)Br)C(NCc3c(nc(C)cc3C)O)=O)n(C)c1	56
+c1cc(ccc1)Cc2c(c(nc(C)c2)O)CNC(c3c4n(C)cc(C(C)C)c4cc(c3)Br)=O	56
+CC(C)c1c2c([nH]n1)ccc(Oc3c(C)cc(cc3C)[N+]([O-])=O)c2	46
+c1cc(ccc1)Nc2nc3c(cn2)ccc(OC)c3C(C)C	744
+CC(C)c1c2nc(ncc2ccc1OC)Cl	1047
+CC(C)c1c[nH]c(c1)C(O)=O	1
+CC(C)c1c(c(cc(C(C)C)c1)-c2csc3ccc(C(C)=CC(OC)=O)cc23)O	241
+CC(C)c1cc(c(cc1)N)C=2CCCCC=2	989
+CC(C)c1cc(C#N)c(N)cc1	180
+CC(C)c1cc(Br)ccc1OCc2ccccc2	139
+CC(C)c1cc(Br)ccc1OCc2ccccc2	22
+CC(C)c1cc(ccc1OCc2ccccc2)C=O	146
+c1cc(ccc1Oc2ccc(OCc3ccccc3)c(C(C)C)c2)OCC	304
+CC(C)c1cc(c(cc1)Nc2ccc(cc2[N+](=O)[O-])F)C#N	275
+C1CC1(N)c2cc(C(C)C)ccc2	4368
+CC(C)c1sc2N=c3ccc(C(N)=O)cn3C(=O)c2c1	3370
+CC(C)c1c(cc(c(CC(OC)=O)c1)C)OC	27
+CC(C)c1c(cnc(c1)Cl)C=O	200
+O(C)B(OC)c1cc(C(C)C)c(cc1OC)F	4369
+CC(C)c1cc(NNC(Nc2cc(Cl)cc(Cl)c2)=O)nc3c(C)ccc(C)c13	7934
+c1ccccc1COc2cc(C(C)C)ccc2C=O	22
+CC(C)c1ccc(c(c1)OCc2c(nc(Cl)nc2C)Cl)C	2171
+CC(C)c1ccc(c(c1)OCc2c3ccccc3c(Cl)nc2C)C	751
+CC(C)c1nc(c(c(O)c1)[N+](=O)[O-])O	475
+CC(C)c1cc(OC)c(OC)cc1Cc2cnc(nc2NCC)N	1408
+CC(C)c1cc(c(C(N)=O)cc1Oc2cnc(nc2N)N)OC	7935
+CC(C)c1c(cc(C2=NCCN2)c(OC)c1)Oc3cnc(nc3N)N	2086
+CC(C)c1c(cc(c(OC)c1)C(=NO)N)Oc2cnc(nc2N)N	253
+O=S(=O)(NCCc1ccc(C(C)C)cc1OCC(=O)OCC)c2c(OC)ccc(C#N)c2	71
+CC(C)c1cc(Oc2c(cc(c(C)c2Br)[N+]([O-])=O)Br)cc(C=O)c1O	502
+CC(C)c1c(c(cc(c1)Oc2c(cc(c(C)c2Br)[N+](=O)[O-])Br)CO)O	41
+O=S(=O)(c1cc(C(C)C)c(Cl)cc1)Nc2cc(Cl)cnc2C(c3c4cc[nH]c4ncc3)=O	322
+CC(C)c1cc([N+]([O-])=O)c(cc1)C(=O)O	944
+CC(C)c1ccc(c(N)c1)C(=O)O	0
+CC(C)c1c(Oc2cnc(nc2N)N)cc(c(c1)OC)C(N)=S	581
+c1c(C)c(c(cc1)C)-c2nc(C)c(COc3c(ccc(c3)C(C)C)C)c(OC)n2	345
+CC(C)c1cc(C(C(O)=O)CCCCl)c(cc1OC)C	4
+CC(C)c1cc(c(I)cc1Oc2c(N)nc(nc2)NC(CCC(O)=O)=O)OC	4
+C[Si](C)(C)C#Cc1c(OC)cc(c(Oc2cnc(nc2N)N)c1)C(C)C	311
+CC(C)c1cc(c(cc1Oc2cnc(nc2N)N)-c3occc3)OC	4209
+CC(C)c1cc(OC)c(cc1Oc2cnc(nc2N)N)C#N	1942
+CC(C)c1cc(-c2csc3c2cc(cc3)C(C)=CC(O)=O)c(c(c1)C(C)C)OC	127
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C3=CCCCC3)C(C)C	616
+CC(C)c1cc(cc(C(C)C)c1CO)C(C)C	1146
+CC(C)c1cc(cc(C(C)C)c1C=COC)Br	1417
+CC(C)c1cc(cc(C(C)C)c1CP(OCc2ccccc2)(OCc3ccccc3)=O)C(C)C	7936
+CC(C)c1cc(cc(C(C)C)c1C=O)Br	1669
+CC(C)c1cc(cc(C(C)C)c1I)Br	158
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2cc(c(cc2)C(O)=O)O)C(c3c(Cc4ccccc4Br)oc(C)c3C)=O	1163
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2ccc(c(c2)O)C(O)=O)C(c3c(Cc4ccc(cc4)Br)oc(c3C)C)=O	1163
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2ccc(c(c2)O)C(O)=O)C(=O)c3c(c(oc3Cc4cc(Br)ccc4)C)C	1163
+CC(C)c1cc(cc(C(C)C)c1O)C=C(S(=O)(=O)NCCCc2ccccc2)C#N	2593
+CC(C)c1cc(cc(C(C)C)c1O)C(c2c(c(oc2Cc3cc(Br)ccc3)C)C)=O	5
+CC(C)c1cc(cc(C(C)C)c1OC)C(=O)c2c(c(oc2Cc3cc(Br)ccc3)C)C	2913
+CC(C)c1cc(cc(C(C)C)c1OC)C(c2c(Cc3ccccc3Br)oc(C)c2C)=O	2913
+CC(C)c1cc(cc(C(C)C)c1OC)C(c2c(Cc3ccc(cc3)Br)oc(c2C)C)=O	2913
+CC(C)c1cc(cc(C(C)C)c1O)C(c2c(Cc3ccc(cc3)Br)oc(c2C)C)=O	5
+CC(C)c1cc(cc(C(C)C)c1O)C(c2c(C)c(C)oc2Cc3ccccc3Br)=O	5
+CC(C)c1cc(Cl)cc(c1O)N	0
+CC(C)c1cc(Br)cc2c1[nH]cc2	1561
+c1cc(ccc1-c2nc3cc(C#N)cc(c3o2)C(C)C)C(O)=O	1
+CC(C)c1cc(ccc1)NC(c2cc(ccc2)N3CCc4c(C3)cncc4C(=O)NCC(OC)=O)=O	4370
+CC(C)c1cc(ccc1)NC(c2cc(ccc2)N3CCc4c(cncc4C3)C(O)=O)=O	1
+CC(C)c1cc(O)c(C=O)cc1	502
+c1ccccc1COc2cccc(c2)C(C)C	22
+CC(C)c1cccc(Oc2ncc(cn2)[N+]([O-])=O)c1	893
+CC(C)c1cc(cc(c1O)[N+]([O-])=O)Cl	31
+CC(C)c1cc(C(=O)O)ccc1OCc2ccccc2	500
+CC(C)c1cc(c(I)cc1Oc2cnc(nc2N)N)OC	694
+c1ccccc1CSc2c(C(C)C)cc([N+](=O)[O-])cn2	1272
+ClC(Cl)(Cl)COC(Nc1cc(nn1-c2cc3c(ncs3)cc2)C(C)C)=O	278
+c1cc(ccc1Nc2cc(C(C)C)nc(Cl)n2)C	73
+CC(C)c1cc(NN)nc2c(C)ccc(C)c12	2572
+CC(C)c1c(C(=O)C)cnc(Cl)c1	716
+CC(C)c1c(cc2OCOc2c1)CC#N	177
+c1cc(ccc1CO)NC(=O)c2ccc(Cc3cc(cc4c3oc(C(C)C)c4)Cl)o2	768
+CC(C)c1ccc2c(c1)ncnc2Cl	64
+CC(C)c1nn2c(c(ccc2OC)C=O)c1	200
+CC(C)c1cc2c(c(cc(c2)Cl)Cc3oc(C(O)=O)cc3)o1	1
+c1cc(ccc1)CN2c3cc(ccc3OCC2)Cc4c(C(C)C)ccc(Br)c4	452
+c1ccccc1COC(Nc2ccc(C(C)C)nc2O)=O	7937
+CC(C)c1cc([N+]([O-])=O)c(CCN)cc1	51
+CC(C)c1c(cc(Cl)cc1)N	0
+CC(C)c1cnc(F)c(I)c1	625
+CC(C)c1ccc(cn1)NC(c2cnn(c2)C=C)=O	4371
+CC(C)c1ncc(NCc2cn(nc2)C=C)cc1	4150
+CC(C)c1ccc(nn1)Cl	218
+CC(C)c1cc2c(cc1)c(ncn2)O	1116
+CC(C)c1nc(OC)c(cc1)-c2ncc(NC(C)COC)nc2Cl	7938
+Cc1cccc(C)c1-c2nc(c(c(C)n2)COc3cc(ccc3C)C(C)C)N4CCNC(C4)C	54
+CC(C)c1ccc(c(OCC(=O)NN)c1)CCNS(=O)(=O)c2c(O)ccc(C#N)c2	743
+CC(C)c1cc(c(C)cc1)OCc2c(nc(Cl)nc2OC)C	145
+CC(C)c1cc([N+](=O)[O-])c(cc1)C#N	180
+CC(C)c1ccc(cc1)-c2ccnc(c2)Cl	174
+c1cc(ccc1-c2cncc(-c3cccc(c3)C(=O)OCC)c2)C(C)C	89
+CC(C)c1ccc(cc1)-c2n(CCOC)c3c(cc(Cc4cccnc4SC)cc3OC)n2	2188
+c1cc(ccc1)-c2ccc(c3n(CCOC)c(nc23)-c4ccc(cc4)C(C)C)OC	3789
+c1cc(ccc1C2c3c(cc(C)c(c3OC2)C)C)C(C)C	20
+O=S(=O)(C)OC1CN(C1)Cc2ccc(cc2)C(C)C	7
+CC(C)c1ccc(cc1)Cc2c(C)cc(cc2OC)C	65
+c1cc(ccc1C(C)C)C#Cc2ccc(cc2)C(C)C(NCC)=O	129
+c1cc(ccc1C(C)C)N(c2ccc(cc2)C(C)C)C(=O)C	7939
+c1ccccc1COC(Nc2cc(cnc2OC)-c3ccnc(C(=O)Nc4cc(C)c(cc4)C(C)C)c3)=O	4372
+CC(C)c1ccc(nn1)N	1969
+CC(C)c1cccc(C(C)C)c1-n2c3ccccc3nc2-c4cc(ccc4)-c5ccc6c(c7c(cccc7o6)O)n5	5
+CC(C)c1cccc(C(C)C)c1-n2ccnc2-c3cccc(c3)-n4c5c(c6ccccc46)ccc(C#N)c5	7940
+CC(C)c1cccc(C(C)C)c1C(=O)O	595
+CC(C)c1cccc(C(C)C)c1CO	1146
+CC(C)c1cccc(C(C)C)c1N=Cc2cccc(-c3cc(OCCC=C)c(C)cc3C)n2	119
+CC(C)c1cccc(C(C)C)c1NC(C)(C)c2nc(-c3c(ccc4ccccc34)CNc5ccccc5)ccc2	245
+CC(C)c1cccc(C(C)C)c1NC(C)(C)c2nc(-c3c4ccccc4ccc3CNc5c(cc(cc5C)C)C)ccc2	245
+CC(C)c1cccc(C(C)C)c1NC(CN2C(N(C(C)(CCC)C2=O)c3ccc(cc3)C)=O)=O	4373
+CC(C)c1cccc(C(C)C)c1NC(=O)CN2C(=O)C3(CCN(CC3)C(=O)C)N(c4ccc(cc4)C)C2=O	4373
+CC(C)c1cc(cc(C(C)C)c1O)C=O	502
+CC(C)c1c(c(ccc1)C)C=O	146
+CC(C)c1c(Cl)ccc(N)c1	196
+CC(C)c1cccc(c1)Nc2c(C#N)cnc3c2cc(nc3)F	179
+CC(C)c1cccc(Oc2ncc(cn2)N)c1	193
+CC(C)c1cccc(C)c1Br	1078
+CC(C)c1c2[nH]ccc2ccc1	1561
+CC(C)c1c(cccc1)C=O	146
+CC(C)c1c(cccc1)NC(=O)C=NO	1048
+c1ccccc1-c2c(Nc3c(C(C)C)cccc3)c([N+]([O-])=O)ccc2	275
+CC(C)c1c2c(n(c1)C)c(C(NCc3c(cc(C)nc3O)C)=O)cc(c2)-c4cnc(C)cc4	56
+CC(C)c1cnc(F)c(c1)C#N	2189
+CC(C)c1n(c2ccccc2n1)CCCCCO	44
+c1cc(ccc1)Cn2c(CC)c(c(c2C(C)C)C(=O)NCc3cc(F)c(cc3)F)CCCC	56
+CC(C)c1c(C(=O)NCc2cc(F)c(cc2)F)c3c(cc(cc3)C(OCC)=O)n1Cc4ccccc4	56
+CC(C)c1c(c2c(cc(OC)cc2)n1Cc3ccccc3)C(NCc4cc(F)c(cc4)F)=O	56
+CC(C)c1c(c2ccc(OC)cc2n1Cc3ccccn3)C(NCc4cc(F)c(cc4)F)=O	56
+CC(C)c1c(C(=O)NCc2cc(F)c(cc2)F)c3c(cc(cc3)C(OCC)=O)n1Cc4occn4	56
+CC(C)c1n(-c2cc(cc(C(O)=O)c2)-c3ccc(cn3)Cl)nnn1	1
+CC(C)c1nnc2c(ccc(SC)n12)C(O)=O	1
+c1ccccc1OC(=O)NCc2ccccc2Sc3ccc4n(c(C(C)C)nn4)c3	101
+CC(C)c1n2c(c(ccc2C)C(O)=O)nn1	1
+CC(C)c1n2cc(ccc2nn1)Sc3c(cccc3)CN=[N+]=[N-]	925
+CC(C)c1nnc2ccc(cn12)OC3CCC(N)c4cc(ccc34)F	870
+CC(C)c1n2c(ccc(Sc3c(CN)cccc3)c2)nn1	18
+FC(F)(F)c1cc(ncc1)-n2cc(CCC(=O)OCC)c(n2)C(C)C	1706
+c1ccccc1COc2c(c(ccc2)Cl)-c3nc(C(C)C)c(OCC)o3	57
+CC(C)c1nc(Cl)c(C#N)c(-c2ccc(Cl)c(c2)Cl)n1	64
+CC(C)c1nc(-c2cccc(c2)N)c(-c3nc(ncc3)Cl)s1	2087
+CC(C)c1nc(c(-c2ccnc(n2)Cl)s1)-c3cc(ccc3)NS(=O)(=O)c4cc(ccc4)F	69
+O1CC(COC1(C)C)c2ccc(cc2)Oc3ncnc(N4CCC(CC4)c5nc(no5)C(C)C)c3[N+]([O-])=O	54
+CC(C)c1nc(SCC(N)=O)c(c(-c2cc(c(Cl)cc2)Cl)n1)C#N	3769
+CC(C)c1ncsc1Br	2190
+CC(C)c1nc(sn1)N2CCC(CC2)N3C(=O)C(Cc4ccc(cc4)S(=O)(=O)C)CC3	7941
+CC(C)c1nc(c(c(-c2ccccc2)c1)C#N)N3CC(C)N(CC3)C(=O)c4cocc4	1859
+CC(C)c1nc(O)c(c(NCC)c1)[N+](=O)[O-]	105
+CC(C)c1nc(c([N+](=O)[O-])c(c1)N)O	1724
+CC(C)c1nc(Cl)c([N+]([O-])=O)c(NCC)c1	137
+CC(C)c1nc(-c2ccc(c(Cl)c2)Cl)c3c(sc(c3N)C(=O)N)n1	3770
+CC(C)c1sc(-c2nc(ncc2)NC)c(-c3cc(ccc3)NS(=O)(=O)c4cc(ccc4)F)n1	96
+CC(C)c1nc(c(c(c1C=CCCC)-c2ccc(cc2)S(=O)(=O)C)CO)C(C)C	2146
+CC(C)c1nc(O)c([N+]([O-])=O)c(c1)Cl	120
+CC(C)c1nc(CNC)cs1	7942
+CC1(C)C(C)(C)OB(O1)c2cc(c(nc2)N3CCC(CC3)c4noc(C(C)C)n4)C#N	234
+COc1nc(nc(OC)c1)Oc2c(-c3oc(OCC)c(C(C)C)n3)c(ccc2)Cl	2914
+C1CN(CCC1COS(=O)(=O)C)c2nc(C(C)C)no2	7
+CC(C)c1nc2c(cccc2Cl)n1-c3cc(ccc3)O	5
+CC(C)c1nc2c(Cl)cccc2n1-c3cccc(OC)c3	2846
+O=S(=O)(C)c1cc(Oc2cccc(-n3c(nc4c3cccc4Cl)C(C)C)c2)cc(Cl)c1	415
+CC(C)c1n(ccn1)CC2CC3c4c5c([nH]cc5CC3N(C)C2)ccc4	2840
+c1(C)cccc(C)c1-c2nc3CCN(Cc3c(n2)O)c4n(nc(C(C)C)c4)C	104
+CC(C)c1cc2c(ccc(OC)n2n1)CO	7943
+c1cc(ccc1OC(=O)c2ccc(n3c2cc(n3)C(C)C)OC)[N+]([O-])=O	852
+CC(C)c1nn2c(c(ccc2OC)C(O)=O)c1	1725
+CC(C)c1nnc(-c2cc(N)ccc2)o1	0
+CC(C)c1n2c(c(C(=O)OC)ccc2SC)nn1	7944
+CC(C)c1nnc2ccc(nn12)C#Cc3c(cc(cc3)F)F	3872
+CC(C)c1n2c(ccc(OC3c4c(C(CC3)NC(Nc5cnn(c5)-c6ccc(cc6)C)=O)cccc4)c2)nn1	1962
+CC(C)c1oc(-c2c(N)ncc(c2)-c3ccc4[nH]ccc4c3)nn1	89
+c1(C)cccc(C)c1OCc2c(C(OC)=O)c(on2)C(C)C	20
+CC(C)c1c(c(no1)COc2c(Cl)cccc2Cl)COc3cc4c(n(cc4)Cc5cccc(c5)C(OC)=O)cc3	20
+c1(cccc(Cl)c1Cc2noc(C(C)C)c2CO)Cl	88
+CC1(C)OB(OC1(C)C)c2cnc(N3CCN(CC3)c4noc(C(C)C)n4)c(C#N)c2	234
+c1(Cl)cccc(Cl)c1CCc2c(CO)c(C(C)C)on2	88
+c1(C)cccc(C)c1OCc2c(CO)c(C(C)C)on2	88
+CC(C)c1onc(c1COc2ccc(cc2)-c3ccc4c(c3)ccc(C(O)=O)n4)CS(c5c(cccc5Cl)Cl)=O	6
+CC(C)c1sc2c(C(n3cc(C#N)ccc3=N2)=O)c1	1014
+CC(C)c1cc2c(s1)N=c3n(cc(cc3)-c4[nH]nnn4)C2=O	2915
+CC(C)n1ncc(Cl)c1-c2cc(N)ccc2OC	0
+CC(C)n1c(-c2c(OC)ccc([N+]([O-])=O)c2)c(Cl)cn1	697
+CC(C)n1c2c(cc1C(O)=O)cc(O)cc2	16
+c1cnccc1-c2cc(c3c(n2)n(nc3)C(C)C)C(=O)OCC	7945
+c1cc(ccc1)C(=O)Nc2n(c3c(cc4c(C(C)(C)C(=O)N4CCCCC)c3)n2)C(C)C	2879
+CC(C)n1c(Nc2ncc(Cl)c(c2)Nc3ccc(F)cc3C(NOC)=O)cc(C)n1	7946
+CC(C)n1c(Nc2ncc(Cl)c(c2)Nc3ccc(cc3C(=O)O)F)cc(C)n1	7947
+c1cc(ccc1F)-c2c(c(n(C(C)C)c2C(=O)OCc3ccccc3)C=O)-c4ccc(cc4)F	470
+CC(C)n1c2c(cc1-c3c(OC)nc(nc3)OC)C(N(C4CCN(CC4)C(=O)NC)C2c5ccc(cc5)Cl)=O	2041
+C1CNCCC1Nc2nc(-c3n(C(C)C)c(nc3)C)ccn2	62
+C1CC(CCC1NC(=O)CCN(C)C)Nc2nc(ccn2)-c3n(C(C)C)c(nc3)C	9
+CC(C)n1c(cnc1C)-c2nc(ncc2)Nc3ccc(cc3)N4CCN(CC4)C(CO)=O	948
+CC(C)n1c(cnc1C)-c2nc(Cl)ncc2	740
+CC(C)n1c2c(cn1)c(C(NCc3c(nc(C)cc3C)O)=O)cc(C4=CCN(CC4)C(=O)CCCN(C)C)n2	2699
+CC(C)n1c2c(c(C(c3ccnc(c3)NC(=O)Cc4ncc(C#N)cc4)=O)c1)cncn2	1684
+CC(C)n1c2cc(ccc2c(C(=O)Nc3nccs3)c1)O	5
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cc(ccc4)CO)nc12	14
+CC(C)n1cc(C)c2c(C(=O)O)cc(cc12)Br	1
+c1cc(ccc1O)CCNc2nc(Cl)cc3c2ncn3C(C)C	1679
+CC(C)n1ncc2cc(ccc12)OC(c3ccccc3)C(C)N	669
+CC(C)n1c2cc(C=O)ccc2nn1	760
+CC(C)n1ccc2ccc(cc12)CO	98
+C1CC(CCN1C(CCCN(C)C)=O)c2nc3n(C(C)C)ncc3c(C(=O)NCc4c(nc(C)cc4C)O)c2	1676
+CC(C)n1c2nc(cc(C(=O)NCc3c(nc(C)cc3C)O)c2cn1)Cl	14
+CC(C)n1nc(c2c1ccnc2)C(=O)c3cc(N)ncc3	1380
+CC(C)n1c2c(c(C(c3ccnc(c3)NC(=O)Cc4ncc(cc4)Br)=O)c1)cncn2	142
+CC(C)n1c2c(c(cc(Br)c2)C(OC)=O)c(c1)C	4374
+CC(C)n1c2c(c(c1)C(=O)Nc3nccs3)ccc(OC)c2	2916
+CC(C)n1c2c(c(cc(Br)c2)C(=O)NCc3c(O)nc(CO)cc3C)c(C)c1	104
+c1cc(ccc1S(=O)(=O)NC)-c2cc(c3c(C)nn(c3n2)C(C)C)C(=O)NCc4c(nc(C)cc4C)O	140
+CN(C)c1cc(C(=O)NCc2c(nc(C)cc2C)O)c3cnn(C(C)C)c3n1	43
+CC(C)n1ncc2c(cc(-c3ccc(cc3)F)nc12)C(NCc4c(nc(C)cc4C)O)=O	140
+CC(C)n1c2c(cn1)c(cc(Cl)n2)C(=O)O	137
+O=S(=O)(Nc1ccc(cc1)-c2cn(C(C)C)c3ncnc(N)c23)c4ccccc4	869
+CC(C)n1nc(c2c(N)ncnc12)-c3cc(c(cc3F)O)F	5
+CC(C)n1nc(-c2cc3c(cc2)N(CC3)C(=O)Cc4cc(F)ccc4F)c5c1ncnc5N	918
+CC(C)n1c2ncnc(N)c2c(-c3cc(F)c(OC)cc3F)n1	920
+CC(C)n1c2c(c(-c3cc(c(O)cc3)F)n1)c(N)ncn2	920
+c1cc(ccc1-c2cn(C(C)C)c3c2c(ncn3)Cl)OC	2123
+c1cc(ccc1-c2cn(C(C)C)c3c2c(ncn3)Cl)[N+](=O)[O-]	2123
+CC(C)n1cc(C(=O)c2ccnc(Br)c2)c3c1ncnc3	4233
+CC(C)n1cnc(-c2cc3nccc(Oc4c(cc(NC(=O)CC(Nc5c(OC)cccc5)=O)cc4)F)c3s2)c1	4375
+CC(C)n1cc(-c2cc3c(c(Oc4ccc(N)cc4F)ccn3)s2)nc1	0
+CC(C)n1c2c(cncn2)c(c1)C(c3ccnc(N)c3)=O	1380
+CC(C)n1c2cc(cc(c2c(C)c1)C(NCc3c(cc(nc3OC)CO)C)=O)Br	14
+CC(C)n1cc(N)cn1	209
+CC(C)n1cc(c2c1cc(cc2)C)C(=O)Nc3nccs3	2916
+CC(C)n1ccc2ccc(cc12)COC	76
+CC(C)n1cc(-c2cc3c(c(ccn3)Oc4ccc([N+]([O-])=O)cc4F)s2)nc1	680
+c1cc(ccc1)Nc2nc(ccn2)-c3cncn3C(C)C	7948
+CC(C)n1c(Nc2ncc(c(Nc3ccc(F)cc3C#N)c2)Cl)cc(C)n1	346
+CC(C)n1cc(c(I)n1)-c2nc(Cl)ncc2	740
+CC(C)n1nc(-c2c(F)ccc(NS(=O)(=O)CCC)c2F)c(-c3ccnc(n3)NCC(C)NC(=O)OC)c1	1016
+c1cc(ccc1)CNc2nc(ccn2)-c3c(-c4sc(Cl)cc4)nn(C(C)C)c3	435
+CC(C)n1nc(c(c1)-c2ccnc(S(=O)(=O)C)n2)-c3sc(Cl)cc3	737
+CN(C)C=CC(=O)c1c(nn(c1)C(C)C)I	277
+CC(C)n1c2nc(Cl)cc(C(=O)NCc3c(nc(C)cc3C)O)c2c(n1)C	14
+CC(C)n1nc(C(=O)NN)c2ccccc12	1726
+CC(C)n1c(-c2c(ccc(NC(=O)Nc3ccc(F)c(F)c3)c2)OC)c(Cl)cn1	124
+CC(C)n1c2c(c(cc(-c3cccc(CO)c3)n2)C(=O)O)cn1	6
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cccc(c4)CN(C)CCCN(C)C)nc12	131
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cccc(CN(C)C)c4)nc12	131
+CC(C)n1ncc2c(N3CC4CCC(C3)O4)nc(-c5ccc(cc5)N)nc12	0
+c1cc(ccc1[N+](=O)[O-])-c2nc(Cl)c3c(n2)n(C(C)C)nc3	1203
+CC(C)(C)OC(N1CC=C(c2cc(C(NCc3c(nc(C)cc3C)O)=O)c4c(n(nc4)C(C)C)n2)CC1)=O	4376
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(nc12)-c4ccc(cc4)N5CCN(CC5)C	245
+CC(C)n1ncc2c(cc(-c3ccc(cc3)CO)nc12)C(NCc4c(nc(C)cc4C)O)=O	119
+CC(C)n1ncc2c1nc(-c3cnc(nc3)N)cc2C(NCc4c(nc(C)cc4C)O)=O	7949
+CC(C)n1ncc2c1nc(Br)cc2C(=O)NCc3c(nc(C)cc3C)O	7950
+CC(C)n1c2c(c(cc(n2)C(=O)C)C(=O)NCc3c(nc(C)cc3C)O)cn1	1867
+CC(C)n1ncc2cc(ccc12)OC(c3ccccc3)C(NS(=O)(=O)C)C	111
+CC1(C)C(C)(C)OB(O1)c2ccc3-c4nc(-c5n(ncn5)C(C)C)cn4CCOc3c2	17
+CC(C)n1ncnc1-c2sc3c(-c4c(cc(cc4)C5CN(C5)C(C)(C)C(=O)N)OCC3)n2	527
+CC(C)n1c2c(ccc(C(=O)N(OC)C)c2)nn1	280
+C(O)CC(CC(=O)OC)C	21
+Clc1ccc2c(n(C(=O)CC(C)CC(OC)=O)c(CCCCCC)c2)c1	2917
+C1CN(CCC1Oc2c(C(CC)C)cccc2)c3ncc(cn3)Br	419
+CC(CC=C(CC)C)C(CC)=CCOc1cc2c(cc1)CCCO2	2888
+CCC(C(C)CC1OC1(CC)C)=CCOc2cc3OCCCc3cc2	7951
+c1(ccc(C)n1-c2c(ccc(Cl)c2)[N+](=O)[O-])C	1727
+c1(C)ccc(C)n1C(C)CO	7952
+Cc1ccc(C)n1-c2c(cc(F)cc2)Cl	1727
+c1(C)ccc(C)n1-c2cc(F)cc(F)c2	1727
+c1cc(C)n(c1C)-c2ccc(cc2F)I	1727
+c1cc(C)n(c1C)-c2ccn(-c3ccccc3)n2	7953
+c1cc(C)n(c1C)-c2ccccc2	1727
+c1cc(ccc1Cl)C(=O)C(c2ccc(cc2)Cl)NC(=O)CCCCCC(C#N)C	612
+C(CCc1cc2c(cccc2)cc1)C(CC(=O)C(OCC)=O)=O	1135
+C(NC(C)=O)Cc1cc2c(OCO2)cc1CC#N	177
+c12CCN=C(c1cccc2Br)C	1120
+n1cccc(-n2cc(c(Cl)n2)NCC)c1	15
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c4c(ncc3C#N)cc(c(NC(=O)C)c4)OCC	179
+c1([N+]([O-])=O)c(c2c(cc1)CCCC2)N	106
+C1Cc2c(CC1)c(NC(=O)C)cc(F)c2C	165
+Fc1c(F)c2c(c(NC(=O)C)c1)CCCC2	165
+CC(=O)Nc1c2OCOc2c(cc1Cl)C(OC)=O	196
+c1(cc2ccc(c(OC)c2c3cc(C)ccc13)OC)NCC	15
+Nc1c(c(Cl)c(cc1)Br)C	106
+n1[nH]c(c(c1NC(C)=O)I)-c2cc(F)ccc2	1419
+c1(C)cc(cc(C)c1S(=O)(=O)N)Nc2ncc(Br)c(n2)OC(C(C)O)C	55
+c1c2c(ccc1)C(=O)N(C2=O)C(c3cnc4ccccc4c3Cl)C	4377
+CC(O)c1c(c(Sc2c(F)cccc2)ccc1)OC	297
+C(C)(Cl)c1cccc(Sc2c(F)cccc2)c1OC	525
+c1c(cc(c(OC)c1C(C)=O)OC)Cl	155
+c1cc(ccc1-c2sc(F)cc2NC(OC(c3ccccc3C)C)=O)-c4ccc(cc4)C5(CC5)C(=O)OCC	2578
+c1cc(ccc1-c2c(c(no2)C)NC(=O)OC(C)c3c(cccc3)Cl)Br	2918
+c1cc(ccc1-c2nocc2NC(=O)OC(c3c(cccc3)Cl)C)CCCl	2918
+C1(C2(C)C(C3C(=O)C=C4C(C)(CCC(C4)OC(=O)C)C3CC2)CC1)OC(C)=O	7954
+CC1(C)OB(OC1(C)C)c2cc3c(c[nH]c3nc2)C(C)c4c(Cl)ccc(F)c4Cl	234
+Clc1c(C(COC)C)c(F)ccc1	21
+c1(c(NC(=O)OC(c2ccccc2F)C)c(-c3cc(C)c(cc3)Br)on1)C	2918
+NNC(=O)C(C)c1c(cc2ncccc2c1F)F	561
+c12nc(c(cc1cc(Cl)c(OC)c2)C(C)=O)OC	716
+CC(=O)c1cc(C(=O)OC)cc(c1)N	0
+CC(C(=O)O)c1cc(Cl)c(cc1)C#N	4
+O=S(=O)(NCCC(=O)NC(c1cncn1C)(C)c2ccc(c(F)c2)C#N)c3cc(OC)ccc3	9
+c1(C(=O)CBr)cccc(OCc2cc(c(cc2)Cl)Cl)c1	380
+c1c(C(=O)C)c(O)c(c(c1Cl)OCCOCCOc2c(c(ccc2C(C)=O)OCC(=O)OCC)CCC)CCC	262
+CC(c1cc(C(=O)OC)cc(c1)[N+]([O-])=O)=O	128
+FC(F)(F)c1cc2c(CCN(C2)C(C3(CN(CC3)C(c4ccc5c(N(C)C(=O)N5C)c4)C)COC)=O)nc1	3617
+c1cc(ccc1)COc2c(ccc(c2)CC)Oc3ccc(cc3F)C(=O)C	46
+CC(c1ccc(c(F)c1)-c2cc(ccc2)O)C(OC)=O	134
+CC(c1ccc(I)c(F)c1)C(OC)=O	158
+c1c(C(C(O)=O)C)cc(c(c1)OC)OC	4
+FC(F)(F)C(c1ccc2c(N(C)C(=O)CO2)c1)(C(C)c3ccc(OC)cc3Cl)O	1379
+CC(c1ccc(N)c(F)c1)C(OC)=O	0
+c1ccccc1CCCNC(=O)Oc2cccc(c2)-c3ccc(cc3F)C(C(=O)OC)C	1890
+C(C)(c1cccc(C#N)c1)O	74
+CN(C)C=CC(=O)c1cccc(C#N)c1	277
+c1cc(ccc1)N(c2ccccc2)c3cc4c(n(c5c4cccc5)C(C)=O)cc3	7955
+c1ccc2c(c3ccccc3n2-c4cccc(-c5cc6c(n(c7ccccc67)C(C)=O)cc5)c4)c1	99
+c1cc(ccc1Oc2cc3c(C(C)(C(OC)=O)CCO3)cc2C#N)C(=O)NCCc4ccc(cc4)Cl	46
+c1ccc2CC(Cc2c1)(C(OC)=O)C	4378
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(-c3ccc(cc3)I)ccc2CC	158
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2c(ccc(c2)-c3ccc(cc3)C#C)CC	75
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2c(ccc(-c3ccc(cc3)C#C[Si](C)(C)C)c2)CC	311
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(ccc2C3CC3)Oc4ccc(Cl)cc4Cl	304
+c1(I)cc(-c2c3c(n(cn3)CC)nnc2)ccc1F	7956
+c1cc(ccc1Cc2nc(c(Cl)c(c2F)N)C=O)F	4254
+C1(=O)c2ccccc2C(=O)N1CCCOc3cc4c(N(C(=O)C(C)(C)C(=O)N4C)CC)cc3	8
+CC1(C)Nc2c(N(C)C1=O)c(c(cc2)-c3c(ccc(Cl)c3)O)CO	7957
+CC1(C)c2ccc(C=O)cc2N(C)C1=O	39
+CC1(C)C(N(c2cc3nc(NC(c4ccccc4)=O)[nH]c3cc12)CC)=O	2879
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4c5c(ccc(C(=O)N)c5)n[nH]4)[nH]3)CC	169
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4[nH]nc5ccc(C(=O)N=CN(C)C)cc45)[nH]3)CC	2098
+CC1(C)CC2CCC(C(=O)NCc3c(Cl)nccn3)CN2C1=O	9
+CC1(C)C(=O)N2CC(C(=O)O)CCC2C1	4
+CC1(C)C(=O)N2CC(c3nc(Br)c4c(N)nccn34)CCC2C1	522
+CC1(C)NCc2cc(C=CC(N(Cc3c(c(Cl)ccc3)OCCC)C)=O)cnc2NC1=O	2385
+CC1(C)C(N(c2c(ccc(Br)c2CO)N1)C)=O	239
+O=S(=O)(OC(C1C(C)(C)C1C(OCC)=O)C(Cl)Cl)c2ccc(cc2)C	36
+c1cc(ccc1S(=O)(=O)NC2c3cc(ccc3OC(C)(C)C2O)CC(NC4CCCc5ccccc45)=O)CC	71
+CC1(C)C(Nc2c(C(=O)N)cnn3cc(Br)cc23)CCC1(C(=O)OC)C	719
+CC1(C)c2c(cc(c(c2)N)N)C(C)(C)C1(C)C	0
+CC1(C)C(C)(C)C1C(c2c3cc(c(OC)cc3[nH]c2)OCc4ccccc4)=O	432
+CC1(C)C(C)(C)C1C(=O)Cl	130
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(nn2)-c3ccc(cc3OC)B4OC(C)(C)C(C)(C)O4	425
+CC1(C)C(C)(C)OB(O1)c2cc3CC(C)(C)Oc3cc2	17
+OB(O)c1c(c(ncc1)N2C(=O)c3cc4CC(C)(C)Cc4n3CC2)COC(C)=O	7958
+CC1(C)OB(OC1(C)C)c2c(F)cc3OC(C)(C)CNc3c2	17
+CC1(C)OB(OC1(C)C)c2cc3c(C(NCC3(C)C)=O)cc2	17
+CC1(C)C(C)(C)OB(O1)c2cc(-c3cccc4c5c(cccc5)sc34)cc(c2)-c6ccc7-c8ccccc8C(C)(C)c7c6	632
+CC1(C)C(C)(C)OB(O1)C=2C=C(Nc3cc(on3)CC)C(=O)N(C)C=2	1371
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2F)NC(Nc3ccc(cc3)C(=O)N(C)C)=O	17
+CC1(C)OB(OC1(C)C)c2cccc(N3CCC(CC3)C(N(C)C)=O)c2	17
+CC1(C)OB(OC1(C)C)c2cc(N3CC(N(C)C)CC3)ccc2	17
+CC1(C)C(C)(C)OB(O1)c2cc(F)cc(NCCN(C)C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cnc(N)c(S(=O)(=O)N(C)C)c2	234
+CC1(C)OB(OC1(C)C)c2c(C=O)cc(Oc3nc(N(C)C)c(C#N)cc3)cc2	17
+CC1(C)OB(OC1(C)C)C=2C=C(C(=O)N(C)C=2)Nc3nn4CCN(CCOC)Cc4c3	1371
+OB(O)C=1C=C(Nc2ccc(cn2)C(=O)N3CCOCC3C)C(=O)N(C)C=1	3628
+CC1(C)OB(OC1(C)C)C=2c3cc(-c4cnn(c4)C)ccc3C(N(C)C=2)=O	4379
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(OC)(OC)=O	632
+CC1(C)C(C)(C)OB(O1)c2cc(OC)c(c(c2)C=O)OCOCC[Si](C)(C)C	17
+CC1(C)C(C)(C)OB(O1)c2cc3ncn(c3cc2)COCC[Si](C)(C)C	1623
+CC1(C)OB(OC1(C)C)c2ccc3c(c(nn3COCC[Si](C)(C)C)C=O)c2	17
+CC1(C)OB(OC1(C)C)c2ccc(c(c2)Nc3scc(n3)-c4sc(C)nc4C)OC	17
+CC1(C)C(C)(C)OB(O1)c2c(cc(cc2C)C=CC#N)C	17
+CC1(C)C(C)(C)OB(O1)c2c3c(ccc2)c(c[nH]3)CCCOc4cc(C)c(c(C)c4)Cl	2919
+CC1(C)C(C)(C)OB(O1)c2cc3NCCOc3cc2C	17
+CC1(C)C(C)(C)OB(O1)c2c(ccc(-c3c(nccc3)C)c2)OC	17
+CC1(C)C(C)(C)OB(O1)c2cc(Cl)c(C)nc2	234
+CC1(C)C(C)(C)OB(O1)c2cc(Cl)c(O)c(F)c2	17
+CC1(C)OB(OC1(C)C)c2c(Cl)cc3c(CCC(=O)N3C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3cccc(Cl)c3[nH]2	4380
+CC1(C)OB(OC1(C)C)c2cc(Cl)c3N(C(CCc3c2)=O)C	17
+CC1(C)OB(OC1(C)C)c2cc(c(N)cc2)C#N	632
+CC1(C)OB(OC1(C)C)c2cc3c(nc(c4ccnc(O)c34)Nc5c(Cl)cc(cc5Cl)-c6ccn[nH]6)cc2	17
+CC1(C)OB(OC1(C)C)c2cc(Cl)cc(c2)O	17
+CC1(C)OB(OC1(C)C)c2cc(ccc2)N3C(=O)C=CC=C3	632
+CC1(C)C(C)(C)OB(O1)c2ccc(c3c2[nH]cc3)Cl	2919
+CC1(C)C(C)(C)OB(O1)c2ccc3c(ccc(Cl)c3)c2	17
+CC1(C)C(C)(C)OB(O1)C2=CCC3(CCCC3)CC2	4381
+CC1(C)C(C)(C)OB(O1)C=2CCC3(OCCO3)CC=2	4381
+CC1(C)C(C)(C)OB(O1)c2c(C)c(CC(=O)OC)cc3c2cc(cc3)Cl	425
+CC1(C)OB(OC1(C)C)c2c(ccc(c2C=O)F)OCC	425
+CC1(C)C(C)(C)OB(O1)c2c(c(ccc2C=O)F)OCCCOCc3ccccc3	425
+CC1(C)C(C)(C)OB(O1)c2c(OC)cc(cc2)-c3oc4c(n3)cccc4	425
+CC1(C)C(C)(C)OB(O1)c2c(cc(CC(OC)=O)cc2)F	425
+CC1(C)OB(OC1(C)C)c2cc(ccc2[N+]([O-])=O)F	425
+CC1(C)C(C)(C)OB(O1)c2c(c(cc3c2cc(cc3)F)CC(=O)OC)C	425
+CC1(C)OB(OC1(C)C)c2c(C=O)ccc(c2)OC3CCCC3	425
+CC1(C)C(C)(C)OB(O1)c2cc(cc(Cl)c2C=O)OC3OCCCC3	425
+CC1(C)C(C)(C)OB(O1)c2cc(OC(C3CC(=O)NC3)C)c4c(ncs4)c2	4382
+CC1(C)C(C)(C)OB(O1)c2cccc(c2)-c3c(C#N)scc3	425
+CC1(C)OB(OC1(C)C)c2cccc(-n3c4c(nc3)cc(cn4)-c5cocc5)c2	425
+CC1(C)OB(OC1(C)C)c2cc(ccc2C=O)-c3cc(C#N)ccc3	425
+CC1(C)C(C)(C)OB(O1)c2ccc3cccnc3c2	4382
+CC1(C)C(C)(C)OB(O1)c2ccc(Cl)c(NC(c3c(Cl)cc(cc3)Cl)C)c2	425
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(OC)=O	425
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(OCC)=O	425
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)C(CC)(CC)c3ccc(C=CC(CC)(CC)O)c(C)c3	425
+CC1(C)C(C)(C)OB(O1)c2cnc(OCC)c(C(F)(F)F)c2	234
+CC1(C)C(C)(C)OB(O1)c2cc(c(C3CC3)nc2)OC(F)(F)C	7959
+CC1(C)C(C)(C)OB(O1)c2ccc(OC(F)F)c(F)c2	17
+CC1(C)OB(OC1(C)C)c2cc(OC(F)F)c(cc2)Cl	17
+CC1(C)OB(OC1(C)C)C2=CN(C)C(C=3CCCCC2=3)=O	7960
+CC1(C)C(C)(C)OB(O1)C2=C(N3C(=O)NN=C3C=C2)C	7961
+CC1(C)OB(OC1(C)C)c2cc(C)c(N)c(c2)[N+](=O)[O-]	17
+CC1(C)C(C)(C)OB(O1)c2ccc(N)c(OC)c2F	17
+CC1(C)C(C)(C)OB(O1)c2c(N)ccc(C)c2	17
+CC1(C)C(C)(C)OB(O1)c2c(ccc(N)c2)Cl	372
+CC1(C)C(C)(C)OB(O1)c2cc(ncc2Cl)N	1809
+CC1(C)OB(OC1(C)C)c2cc(ccc2Cl)C(N(c3ccccc3CCCC(=O)OC)C)=O	17
+CC1(C)C(C)(C)OB(O1)c2cc(c(C(OC)=O)s2)OC(c3ccccc3Cl)C	7962
+CC1(C)C(C)(C)OB(O1)c2cc(C)cnc2OC	234
+CC1(C)C(C)(C)OB(O1)c2cc(F)c(OC)nc2	7963
+CC1(C)C(C)(C)OB(O1)c2cc(c(N)nc2)OC	234
+CC1(C)C(C)(C)OB(O1)c2cc(c(OCC(OCC)=O)cc2)OCC	17
+CC1(C)OB(OC1(C)C)c2cncc(C3COC(OC3)(C)C)c2	234
+CC1(C)C(C)(C)OB(O1)c2cc(c3c(CCCO3)c2C)Cl	17
+CC1(C)C(C)(C)OB(O1)c2c(C)c(ccc2)N3C(=O)c4c(c(Cl)ccc4)N(C3=O)C	17
+CC1(C)C(C)(C)OB(O1)c2c(c(ccc2)N3C(=O)c4ccccc4N(C)C3=O)C	17
+CC1(C)C(C)(C)OB(O1)c2cccc(N3C(c4c(NC3=O)c(Cl)ccc4)=O)c2C	17
+CC1(C)C(C)(C)OB(O1)c2c(C)c(N3C(=O)c4c(N(C)C3=O)c(ccc4)F)ccc2	17
+CC1(C)C(C)(C)OB(O1)c2c(cc(Oc3ccc(c(c3)C(=O)OC)C#N)cc2)C=O	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(c(-c4c(F)cc(cc4)F)oc3cc2N(S(=O)(=O)C)C)C(=O)NC	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2N(S(=O)(=O)C)C)oc(C4=CCCC4)c3C(=O)NC	17
+CC1(C)C(C)(C)OB(O1)c2c(N(S(=O)(=O)C)C)cc3oc(c(C(=O)NC)c3c2)C45C(CCC4)C5	17
+CC1(C)C(C)(C)OB(O1)c2cc(F)cc(c2)CNS(=O)(=O)C	17
+CC1(C)C(C)(C)OB(O1)c2ccc(OC)c(NS(=O)(=O)C)c2	17
+CC1(C)C(C)(C)OB(O1)c2ccc(S(=O)(=O)C)cc2F	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)C3CCOCC3	17
+CC1(C)OB(OC1(C)C)c2c(cc(cc2)S(=O)(=O)CC)OC	17
+CC1(C)OB(OC1(C)C)C=2C=CC(=O)N(CCS(=O)(=O)C)C=2	7964
+CC1(C)C(C)(C)OB(O1)c2ccc(CN(C)S(=O)(=O)C)cc2Cl	17
+CC1(C)OB(OC1(C)C)c2cc(N(S(=O)(=O)C)C)ccc2	17
+CC1(C)C(C)(C)OB(O1)c2cc3CC(NS(=O)(=O)C(C)C)Cc3cc2	372
+CC1(C)C(C)(C)OB(O1)c2ccc(OCCN(C)C)c(c2)NS(=O)(=O)C	17
+CC1(C)OB(OC1(C)C)c2cc(cc(OS(=O)(=O)C)c2)OC	632
+CC1(C)OB(OC1(C)C)c2cc(c(S(=O)(=O)C)cc2)F	17
+CC1(C)OB(OC1(C)C)c2cc(c(F)cc2S(=O)(=O)C)F	17
+CC1(C)OB(OC1(C)C)c2cc(cnc2)S(=O)(=O)Nc3c(cc(F)cc3)F	234
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2C)S(=O)(=O)NC	17
+CC1(C)OB(OC1(C)C)c2cncc(NS(=O)(=O)c3c(Cl)cc(cc3)Br)c2	234
+CC1(C)OB(OC1(C)C)c2cncc(NS(=O)(=O)c3ccccc3)c2	234
+CC1(C)OB(OC1(C)C)c2ccc(C3=CCS(=O)(=O)CC3)cc2C	17
+CC1(C)OB(OC1(C)C)c2cc3CS(=O)(=O)N(c3cc2)C	17
+CC1(C)OB(OC1(C)C)c2cc3c([nH]nc3F)cc2	17
+CC1(C)OB(OC1(C)C)c2c3ccccc3c(C(=O)O)cc2	17
+CC1(C)C(C)(C)OB(O1)c2cnc(c(c2)C)OC	234
+CC1(C)OB(OC1(C)C)c2cc(c(Br)cc2OC)C	4383
+CC1(C)OB(OC1(C)C)c2cc(C(N)=O)ccc2C	17
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(c(c2)C)C3=C(OC)CCC3=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3nc(C)cc(C)n3	632
+CC1(C)OB(OC1(C)C)c2c(F)cc3OCCCc3c2	17
+CC1(C)OB(OC1(C)C)c2cc(F)c(c(c2)F)-c3c(C(=O)c4ccc(cc4Cl)F)c(nn3C)C	17
+CC1(C)OB(OC1(C)C)c2cc(ccc2F)CCC(OC)=O	372
+CC1(C)C(C)(C)OB(O1)c2ccc(N3CC(OC3=O)CNC(=O)OC)cc2F	372
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2F)N3C(=O)OC(C3)Cn4ccnn4	372
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2F)[N+]([O-])=O	17
+CC1(C)OB(OC1(C)C)c2c(c(ccc2)[N+](=O)[O-])C	17
+CC1(C)OB(OC1(C)C)c2cccc(c2F)[N+](=O)[O-]	17
+CC1(C)C(C)(C)OB(O1)c2cc(F)c(c(c2)Cl)C=3C(CCC=3OC)=O	4383
+CC1(C)OB(OC1(C)C)c2cc(C)c(N)cc2	17
+CC1(C)C(C)(C)OB(O1)c2cccc(N3C(N(C)c4c(ccc(c4)OC)C3=O)=O)c2C	17
+CC1(C)C(C)(C)OB(O1)c2cccc(N3C(c4ccc(F)cc4N(C)C3=O)=O)c2C	17
+CC1(C)OB(OC1(C)C)c2cccc(NC(=O)Cc3c(cccn3)Cl)c2C	17
+CC1(C)C(C)(C)OB(O1)c2c(F)c(c(F)cc2)-c3c(C#N)cc(cc3)F	17
+CC1(C)OB(OC1(C)C)c2cc(c(O)c(Cl)c2C)C(=O)OC	17
+CC1(C)C(C)(C)OB(O1)c2cc3c([nH]2)c(OCC)ccc3	4380
+CC1(C)C(C)(C)OB(O1)c2ccc3c(CC(=O)N3C)c2Cl	17
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2F)C(OC)=O)OC	17
+CC1(C)C(C)(C)OB(O1)c2c(ccc(C=O)c2)C	17
+CC1(C)C(C)(C)OB(O1)c2c(Cl)c(cc(OC)c2)Cl	17
+CC1(C)C(C)(C)OB(O1)c2ccc(C3OCC(C(Br)C3)CC)cc2F	17
+CC1(C)OB(OC1(C)C)c2c(F)cc3-n4c(nnc4C)CCc3c2	17
+CC1(C)C(C)(C)OB(O1)c2c(F)cc3c(OC(N3C)=O)c2	17
+CC1(C)OB(OC1(C)C)c2c(F)cc3c(c2)CCC(=O)N3C	17
+CC1(C)C(C)(C)OB(O1)c2c(cc3c(cnn3C4OCCCC4)c2)F	17
+CC1(C)OB(OC1(C)C)c2cc(c[nH]2)C(OC)=O	7965
+CC1(C)OB(OC1(C)C)c2cc(-c3ccc(cc3C)C(OC)=O)ccc2CC	372
+CC1(C)OB(OC1(C)C)c2c(cc(-n3cccn3)cc2)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(CC)c3[nH]ccc23	1623
+CC1(C)OB(OC1(C)C)c2c(OC)cc(-n3nc(cc3)N)cc2	17
+CC1(C)OB(OC1(C)C)c2ccc(O)cc2OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(cccc3F)F	372
+CC1(C)OB(OC1(C)C)c2cc(OCCCCl)ccc2	17
+CC1(C)OB(OC1(C)C)c2c(nccc2C)OC	234
+CC1(C)OB(OC1(C)C)C=2C=C(Nc3ncc(C)s3)C(N(C=2)C)=O	1371
+CC1(C)OB(OC1(C)C)c2cc(F)c3c(CCC(=O)N3C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3cc([nH]c3nc2)-c4c(C)cncc4	234
+CC1(C)OB(OC1(C)C)c2ccc3ccn(C)c3c2F	1623
+CC1(C)C(C)(C)OB(O1)c2ccc(c(c2)Cc3c4c(ccc3)cccc4)OC	17
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2F)C(OC)=O	17
+CC1(C)OB(OC1(C)C)c2ccc3c(CC(N3C)C(OCC)=O)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)N(C(=O)C3)C	17
+CC1(C)OB(OC1(C)C)c2ccc3c(CCC(=O)N3C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(C(=O)NCC3)cc2	17
+CC1(C)C(C)(C)OB(O1)c2cc3CN(C(=O)c3cc2)C	17
+CC1(C)C(C)(C)OB(O1)c2ccc3c(CN(CC(C)O)C3=O)c2	17
+CC1(C)OB(OC1(C)C)c2cc3c(N(C)CCC3)cc2	17
+CC1(C)OB(OC1(C)C)c2cc3CCc4nnc(C)n4-c3cc2	17
+CC1(C)OB(OC1(C)C)c2cc3c(N(C(=O)Cc4cc(C)ccc4)CC3)cc2	17
+CC1(C)OB(OC1(C)C)c2cc3CCN(c3cc2)C(=O)Cc4cc(F)ccc4F	17
+CC1(C)C(C)(C)OB(O1)c2ccc3cc(C#N)ccc3c2	17
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(c(c2)C)N	17
+CC1(C)C(C)(C)OB(O1)c2ccc(CC(=O)OC)cc2C	17
+CC1(C)OB(OC1(C)C)c2cc(Cl)c(c(Cl)c2)O	17
+CC1(C)OB(OC1(C)C)c2cc(Cl)c(c(c2)Cl)C	372
+CC1(C)C(C)(C)OB(O1)c2c(c(N3C(=O)c4cc(cc(F)c4NC3=O)F)ccc2)C	17
+CC1(C)C(C)(C)OB(O1)c2c(OC)ccc(-c3cnc(cc3C)C(OC)=O)c2	372
+CC1(C)C(C)(C)OB(O1)c2cc(N)c(F)cc2C	17
+CC1(C)OB(OC1(C)C)c2cnc(c(Cc3ncccc3)c2)N	234
+CC1(C)C(C)(C)OB(O1)c2cc(F)cc(C#N)c2	17
+CC1(C)C(C)(C)OB(O1)c2ccc(c(C)c2)C#N	17
+CC1(C)C(C)(C)OB(O1)c2ccc(C(N)=O)c(c2)C	17
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(C(NC)=O)cc2	17
+CC1(C)OB(OC1(C)C)c2ccc(c(F)c2)C#N	17
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)C=O)[N+](=O)[O-]	17
+CC1(C)OB(OC1(C)C)c2ccc(Cl)c(c2)CNC(OC)=O	17
+CC1(C)C(C)(C)OB(O1)c2ccc(c(F)c2)C=O	17
+CC1(C)OB(OC1(C)C)c2ccc(c(OC)c2)CC(O)=O	17
+CC1(C)OB(OC1(C)C)c2cc(O)cc(C(=O)OC)c2	17
+CC1(C)OB(OC1(C)C)c2cc(C(=O)OC)cc([N+](=O)[O-])c2	372
+CC1(C)OB(OC1(C)C)c2cc(nc(C)c2)C(=O)Nc3scc(C)n3	1809
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)OCC(=O)N3C	17
+CC1(C)OB(OC1(C)C)c2cc3c(cc2)N(CCN3)C	17
+CC1(C)C(C)(C)OB(O1)c2ccc3c(N(C(O3)=O)C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)OC(=O)N3CCC	17
+CC1(C)OB(OC1(C)C)c2cc3C=CN(C(c3cc2)=O)C	17
+CC1(C)C(C)(C)OB(O1)c2cc3NCCCc3cc2	17
+CC1(C)OB(OC1(C)C)c2cc3C(CC(C)N(c3cc2)C(=O)C)Nc4ncc(C#N)cc4	17
+CC1(C)C(C)(C)OB(O1)c2ccc3nc(N)ncc3c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)c4c(nc3)[nH]nc4	17
+CC1(C)OB(OC1(C)C)c2cc3c(cc2)cc(C(=O)OCC)[nH]3	1623
+CC1(C)OB(OC1(C)C)c2ccc3c(c2)cc(C(=O)OCC)[nH]3	17
+CC1(C)C(C)(C)OB(O1)c2ccc3nc(NC)sc3c2	7966
+CC1(C)OB(OC1(C)C)c2cc(OCC(CN3CCc4c(C3)cccc4)O)ccc2	17
+CC1(C)OB(OC1(C)C)c2cc(c(nc2)N)-c3oc4c(cccc4)n3	234
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c4ccccc4n3-c5cc6c(oc7ccccc67)cc5)c2	17
+CC1(C)OB(OC1(C)C)c2c(cc(Oc3c4c(ccn3)occ4)cc2)C	17
+CC1(C)OB(OC1(C)C)c2cnc(cc2)-c3nn(nn3)C	234
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2Cl)CN(C)C(=O)C	17
+CC1(C)OB(OC1(C)C)c2cc(CC#N)ccc2OC	17
+CC1(C)OB(OC1(C)C)c2ccc(OCCCC(=O)OCC)c(OC)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc(c(OCc3c(cccc3N4N=NN(C)C4=O)OC)cc2)C	17
+CC1(C)C(C)(C)OB(O1)c2c(C)c(C=O)c(cc2)OC	17
+CC1(C)OB(OC1(C)C)c2c(ccc(CC(OC)=O)c2)OC	17
+CC1(C)OB(OC1(C)C)c2c(ccc(CC(=O)OCC)c2)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3CCC(c4ccccc4)(CC3=O)CC(C)(C)O	17
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c2)OC(=CC3)c4ccccc4	17
+c1cc(ccc1)CN(Cc2ccccc2)C3Cc4c(cccc4B5OC(C)(C)C(C)(C)O5)OC3	425
+CC1(C)C(C)(C)OB(O1)c2cc(OCc3ccccc3)cc(Nc4cnccc4)c2	17
+CC1(C)OB(OC1(C)C)c2cc(ccc2C=O)Oc3cccc(c3)OCc4ccccc4	17
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)OC)Cc3ccccc3	17
+CC1(C)OB(OC1(C)C)c2ccc(Oc3ccccc3)cc2C	17
+CC1(C)OB(OC1(C)C)c2c3c(n(S(=O)(=O)c4ccccc4)c2)ncc(c3)-c5cn(C)nc5	7967
+CC1(C)C(C)(C)OB(O1)c2cn(nc2-c3ccc(cc3)[N+](=O)[O-])CC	2611
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)-c3c(NC(=O)OC(C)c4c(cccc4)Cl)c(no3)C	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(C(=O)NC)c(-c4ccc(cc4)C#N)oc3cc2N(S(=O)(=O)C)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3nc(C4N(C(C(C(C)C)Nc5sccn5)=O)CCC4)[nH]c3	17
+CC1(C)C(C)(C)OB(O1)c2ccc3CCC(Oc3c2)c4ccc(cc4)-c5cc(ccc5F)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)-n4cccn4	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)C4(CC4)CC(OCC)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3[nH]c(nc3)C4CC(C)CN4C(=O)C(NC(=O)OC)C(C)C	17
+c1cc(ccc1-c2[nH]c3c(cc(S(=O)(=O)C)cc3)n2)B(O)O	2920
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3nnc(NC)o3	17
+c1cc(ccc1-c2oc3cc(N(S(=O)(=O)C)c4cc(F)c(c(F)c4)B(O)O)c(C5CC5)cc3c2C(NC)=O)F	2920
+c1cc(ccc1-c2oc3cc(c(cc3c2C(NC)=O)C4CC4)N(S(=O)(=O)C)c5ccc(B(O)O)c(C(F)F)c5)F	2920
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3sccc3C#N	17
+c1cc(ccc1-n2ncc3c2nccc3B(O)O)F	4384
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3csc(Nc4cccc(C)n4)n3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ncoc3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-n3c4ncncc4cn3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-n3nnnc3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C(=O)OCC)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C(N)=O)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(N3CCC(OC3=O)(C(C)C)CCCO)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C34CCC(CC3)(OC4)CC(=O)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(=O)NC3CC3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Cc3c(nc4c(F)ccc(c4c3OC(F)F)OCC(=O)OC)CC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3C(C(C)(C)OC3=O)c4ccccc4	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)OC3C(C(OCC)C(C(O3)C)OC)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=O)N(CCN(C)C)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCC3CC(C3)OC4OCCCC4	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCc3cnc(OC)cc3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3nc4N(C)C(N(C(c4n3Cc5cccc(OC)c5)=O)C)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)c3ccc(N)nc3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)(C)O	17
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)C(Nc3sc4CCCCc4n3)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CC3)C(OCC)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C=3NOC(=O)N=3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(C(=O)OC)NC(C)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(OCC)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCC#N	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3cc(NC(=O)C4CCCN4C(=O)C(NC(=O)OC)C(C)C)ccc3	632
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3cnn(c3)C	632
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)F	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3C(CCCC3)OC(=O)C	372
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(Cl)ccc(c3)F	372
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)N3CCC(F)C3	372
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)NC(Nc3ccc(C(N(C)C)=O)c(c3)F)=O	17
+CC1(C)C(C)(C)OB(O1)c2cnc(OCc3ccc(cc3)OC)c(OCC)c2	234
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(ccc(F)c3)F	372
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(C)(C)=O	17
+CC1(C)C(C)(C)OB(O1)c2ccc3c(cnn3S(=O)(=O)c4ccc(cc4)C)c2	17
+CC1(C)OB(OC1(C)C)c2cnc(CCC#N)cc2	234
+CC1(C)OB(OC1(C)C)c2ccc(N3C(OCC3)=O)nc2	234
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c(C(=O)N4Cc5ccccc5C4)nc(N)n3)c2	372
+CC1(C)OB(OC1(C)C)c2cc(-c3sc4c(cccc4)n3)c(N)nc2	234
+CC1(C)OB(OC1(C)C)C2=CN(C(=O)c3ccccc23)C	4379
+CC1(C)OB(OC1(C)C)c2ccnc(NC(C)c3ccccc3)c2	1809
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3CCC(c4ccccc4)(OC3=O)CC(C)(C)O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3CCC(c4ccccc4)(CCc5nnc(C)o5)OC3=O	17
+CC1(C)C(C)(C)OB(O1)c2ccc(c(C(=O)NCc3ccccc3)c2)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(C(OCc3ccccc3)=O)cc2OC	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)CC(NC(OCc4ccccc4)=O)CC3	17
+CC1(C)C(C)(C)OB(O1)c2ccc3nccc(c3c2)OCc4ccccc4	17
+CC1(C)OB(OC1(C)C)c2cc(OC)c(c(OC)c2)Cc3ccccc3	17
+CC1(C)OB(OC1(C)C)c2cc(Cc3ccccc3)c(O)cc2	17
+CC1(C)C(C)(C)OB(O1)C2=CN(C)C(c3n(Cc4ccccc4)c(cc23)C(=O)OCC)=O	7968
+OB(O)c1ccnc2n(ncc12)-c3ccc(F)cc3Cl	4384
+CC1(C)OB(OC1(C)C)c2cc3c(ccnc3cc2)-c4ccncc4	17
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2)-c3ncccn3	632
+CC1(C)C(C)(C)OB(O1)c2cc(-c3ncc(cn3)OCC)ccc2	632
+OB(O)c1cnc(NC(=O)NCC)cc1-c2nc(cs2)-c3cnn(C)c3	2028
+CC1(C)OB(OC1(C)C)c2c(ccc(-c3cn(nc3)C)c2)Cl	17
+CC1(C)OB(OC1(C)C)c2cc([N+]([O-])=O)c(-c3c(C(=O)OCC)cnn3C4COCC4)cc2	17
+CC1(C)OB(OC1(C)C)c2ccc(c(F)c2)-c3n(C4CCOC4)ncc3C(=O)OCC	17
+CC1(C)C(C)(C)OB(O1)c2cc(cc3c2n4c(C(=O)NCC4)c3C)F	2919
+CC1(C)OB(OC1(C)C)c2cc(cnc2)-c3ocnc3	234
+CC1(C)C(C)(C)OB(O1)c2cncc(CC(OC)=O)c2	234
+CC1(C)C(C)(C)OB(O1)c2cc(-c3ncc(cn3)OCCOC)ccc2	632
+CC1(C)OB(OC1(C)C)c2ccc(c(F)c2)-c3cnc(nc3)N	632
+CC1(C)C(C)(C)OB(O1)c2cnc(nc2)N3C(C)CCC3	7969
+CC1(C)OB(OC1(C)C)c2cc(cc(Nc3nccc(C)n3)c2)C	17
+CC1(C)C(C)(C)OB(O1)c2cc(-c3ncccn3)c(c(c2)[N+]([O-])=O)N	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-n3nccn3	17
+CC1(C)C(C)(C)OB(O1)C=2C=C(Nc3nn4c(c3)COCC4)C(=O)N(C)C=2	1371
+CC1(C)CC(C)(C)CC(=C1)c2c(cccc2[N+]([O-])=O)C	563
+CC1(C)C=C(CC(C)(C)C1)c2c([N+](=O)[O-])cccc2F	7970
+C1CCCC12CC=C(c3onc(C(=O)OCC)c3C)CC2	7971
+CC(C)(C)OC(=O)N1CCCC(c2cc(c(N)nc2)-c3n(-c4c(c(F)ccc4)F)nnn3)=CC1	1076
+FC(F)(F)c1cc(ccc1)Nc2c3ccc(C)c(C4=Cc5c(N(C)C4=O)nc(NC)nc5)c3ccn2	7972
+CC1(C)Cc2c(n3CCN(c4nccc(C5=CN(C(C(=C5)Nc6cc7n(CCOC7)n6)=O)C)c4C=O)C(=O)c3c2)C1	2870
+CC1(C)CCC(=CC1)c2cc(CCS(=O)(=O)N(C)C)ccc2N	563
+CC1(C)CCC(c2cc(C(=O)C)ccc2N)=CC1	563
+C1COC2(O1)CC=C(CC2)c3c(ccc(n3)C(O)=O)F	4376
+FC(F)(F)COc1ncc(cc1C2=CCCCC2)C(=O)OC	1076
+FC(F)(F)COc1c(cc(cn1)C(=O)Nc2cnccc2)C3=CCCCC3	7973
+c1c(cc(C=2CCCCC=2)c(N)c1)Br	4385
+c1cc(ccc1)-c2c(sc(n2)-c3c(nc4n3cc(cc4)C=5CCCCC=5)C)C(=O)OCC	1076
+c1c(c(c(cc1C(=O)OC)C=CCOC)C)Br	7974
+CC1(C)C(C)(C)OB(O1)CCCCC(NC(=O)C)(C2CCN(CC2)Cc3ccccc3)C(NC(C)(C)C)=O	48
+CC1(C)C(C)(C)OB(O1)CCCCC(C(NC(C)(C)C)=O)(NC(=O)C)C2CCNCC2	62
+CC1(C)C(C)(C)OB(O1)c2c(C)n(nc2)CC3COC(C)(C)O3	4386
+CC1(C)OB(OC1(C)C)c2cn(CC(F)(F)COCc3ccccc3)nc2	4386
+CC1(C)OB(OC1(C)C)c2cnc(OCCCN(C)C)cc2	3869
+CC1(C)C(C)(C)OB(O1)c2ccc(CCCN(C)C)c(Cl)c2C	585
+CC1(C)OB(OC1(C)C)c2cc(CCN(C)C)c(cc2)OC	585
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)[Si](C)(C)C)F	585
+CC1(C)C(C)(C)OB(O1)c2c(cccc2C)C	585
+CC1(C)OB(OC1(C)C)c2n(C)ncc2C	4387
+CC1(C)OB(OC1(C)C)c2c(C)nn(c2)-c3cncc(F)c3	7975
+CC1(C)OB(OC1(C)C)c2c(F)c(Cl)ccc2C(F)F	1327
+CC1(C)C(C)(C)OB(O1)c2c(F)cc(cc2F)OC3CCOCC3	1327
+CC1(C)OB(OC1(C)C)c2c(F)cc(cc2F)-c3c(C)onc3C	1327
+CC1(C)OB(OC1(C)C)c2ccnn2-c3ccc(cc3)C#N	4387
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)CCCCCCCC	7976
+CC1(C)OB(c2cc(ccc12)C)O	7977
+c1c(c(C=O)c(c(c1)-c2ccnc(Cl)n2)C)OC	379
+c1cc(ccc1-c2c(c(cc3ccc(Cl)cc23)CC(OC)=O)C)Sc4c(Cl)cccc4	99
+c1cc(ccc1-c2c(C)ccs2)F	7978
+c1(C(Nc2nc(c(-c3c(c(Cl)cc(OC)c3)Cl)nc2)N)=O)ccnn1C	1728
+c1cc(ccc1-c2c(Cl)cc3c(CC(=O)N3)c2)Cc4c(cccc4)OC	99
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)Oc3ccccc3	1191
+c1(cc(cc(F)c1-c2c(ccc(C(OC)=O)n2)F)N3CCOCC3)F	245
+c1(F)cc(cc(F)c1-c2c(F)ccc(C(OC)=O)n2)OC3CCOCC3	245
+O=S(=O)(N(C)c1c(cc2c(oc(C34C(CCC3)C4)c2C(NC)=O)c1)-c5nc-6c(cc5)OCn7c8cccc(F)c8cc-67)C	362
+CC(C)(C)[Si](C)(C)OCc1cc2nc(c3ncc(C#Cc4ccc(cc4C)OC)cc3c2cc1)N	7979
+Nc1c(cc(C)cc1)-c2ncnc(OC)c2	379
+FC(F)Oc1cc(F)ccc1-c2nc(ncn2)Nc3cccc(CS(=O)(=O)C)c3	2079
+O=S(=O)(C)N1CC(N(Cc2oc3C(c4ccncc4OCCOC)=CN(C(=O)c3c2)C)CC1)C	2710
+FC(F)(F)c1ccccc1Sc2ccc(cc2)-c3c(c(cc4ccc(cc34)F)CC(OC)=O)C	99
+O=S(=O)(C)c1cnc(cc1)-c2c(C)c(CC(=O)OC)cc3ccc(cc23)F	245
+c1ccccc1COCCCOc2c(ccc3c2B(OC3C[N+]([O-])=O)O)F	4388
+CC1(C)C(C)(C)OB(O1)c2ccc(CC(O)=O)cc2F	4
+CC1(C)C(C)(C)OB(O1)c2c(N)cc(CO[Si](C)(C)C(C)(C)C)cc2	78
+CC(C)(C)[Si](C)(C)OCc1cc2nc(c3ncc(C#Cc4ccc(cc4C)OC)cc3c2cc1)N	7980
+N#Cc1ccc(Oc2ccc3B(O)OCc3c2)cc1C(OC)=O	2191
+Fc1cc(cc(F)c1-c2c(F)ccc(C(OC)=O)n2)C3(CCC3)O	245
+C1CC(CCO1)c2cc(F)c(c(F)c2)-c3nc(C(OC)=O)ccc3F	245
+CN(C)Cc1cc(-c2cc3c(cc2F)n(nc3)C4OCCCC4)cnc1	156
+c1(C=O)cc(c(C)cc1)-c2ccnc(Cl)n2	379
+CC1(C)OB(OC1(C)C)c2c(ccc(c2)NC(=O)c3c(cc(S(=O)(=O)C)cc3)Cl)Cl	67
+NC(=O)c1c(c2ccc(-c3c(C)nn(C)c3C)cc2nc1)Nc4cccc(c4)C(=O)OCC	7981
+FC(F)(F)c1[nH]c2c(-c3c(C)nn(C)c3C)cccc2c1CCCOc4cc(C)c(c(c4)C)Cl	7982
+Cc1noc(C)c1-c2ccc3C(C=C(C)N(c4ccc(cc4F)F)c3c2)=O	7983
+c1c(C)c(c(cc1OCCNS(=O)(=O)C)C)-c2c3CCC(c3c(cc2)F)Oc4ccc5c(c4)OCC5CC(OC)=O	99
+c1cc2C(CCc2c(c1)-c3c([N+]([O-])=O)cccc3)=O	4389
+O=S(=O)(N1CCN(CC1)Cc2sc3c(c(N4CCOCC4)nc(-c5c6c[nH]nc6ccc5)n3)c2)C	7984
+Cc1cc(cc(C)c1Cl)OCCCc2c[nH]c3c(cccc23)-c4c(n(C)nc4CO)C	7985
+CC1(C)C(C)(C)OB(O1)c2c3c(cccc3)ccc2CNc4c(C)cc(cc4C)C	608
+CC1(C)C(C)(C)OB(O1)c2c(CNc3ccccc3)ccc4ccccc24	608
+FC(F)(F)c1nc2nccc(-c3cc(F)cc(-c4ccccc4C#N)c3)c2cc1	4390
+n1cc(cnc1-c2cccc(c2)CC3=NN(C=CC3=O)c4cn(C)nc4)OCC	4391
+n1cc(cnc1-c2cccc(c2)CC3=NN(C=CC3=O)c4cn(C)nc4)OCCOC	4391
+O=S(=O)(C)N(C)c1c(-c2cc(-c3nc4ccccc4s3)ccc2)cc5c(c1)oc(-c6ccc(cc6)F)c5C(NC)=O	99
+c1(c(ncc(c1)-c2n3nc(-c4ccc(OC)c(OC)c4)sc3nc2)N)C#N	2921
+FC(F)(F)C(=C)c1cc(C)c(c(c1)C)N	2192
+c1c(C)c(c(cc1-c2nnc(OC)c(C(C)=O)c2)C)O	746
+CC(C)Cn1c2c(c(cc(-c3ccc(-c4cccc(n4)C)cn3)c2)C)c5ccccc15	4114
+CC(C)(C)OC(=O)Nc1cc(C)cc(-c2ccncc2[N+](=O)[O-])c1	7986
+CC1CN(CC(C)O1)c2c(c(F)c(cc2C=O)-c3cnc(Br)cn3)F	7987
+CC1CN(CC(C)O1)c2c(cc(c(F)c2F)-c3cnc(N)cn3)C=O	1368
+CC1(C)CC(c2c3c([nH]c2)c(C(=O)N)cc(-c4csc(C=O)c4)c3)CCS1(=O)=O	4392
+C1N(CC1)Cc2cc(-c3cc(c4[nH]cc(C5CCS(=O)(=O)C5)c4c3)C(=O)N)cs2	4392
+FC(F)(F)C(C)OCc1cc(cc(c1)-c2cc(nn2-c3ccc(cc3)F)N)Cl	1016
+c1c(Cl)nc(cc1-c2cnc3n2ccc(Cl)c3)Cl	7988
+c1cc(ccc1-c2cc(F)c(c(Cl)c2)C=3C(CCC=3OC)=O)Cl	99
+CN(C)CCNc1cc(cc(-c2cncc(N)c2[N+]([O-])=O)c1)F	156
+O=S(=O)(C)NCc1cc(F)cc(c1)-c2c([N+]([O-])=O)c(ccn2)N	362
+CC1(C)C(C)(C)OB(O1)c2c(cc(F)c(NC(=O)OC(C)=C)c2)C	2922
+Nc1c(cc(C)c(-c2cc3c(nc2)cc(nc3)Cl)c1)F	156
+CN(C)S(=O)(=O)c1c(cc(cc1)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C)C(O)=O	99
+c1ccccc1COC(N2CCCC2c3ccc(cc3)-c4cc(NC(C5CC5)=O)ccc4)=O	99
+C1CC1NC(=O)Nc2ccc(C)c(C3=Cc4cnn(-c5c(F)cccc5F)c4N(C3=O)C)c2	7989
+CC(C)(C)CCNC(Nc1c(F)cc(C)c(-c2cc3cnc(SC)nc3nc2C)c1)=O	7990
+O=S(=O)(c1cccc(-c2ccc(c3[nH]c(C)c(c23)C)C(N)=O)c1)C=C	492
+O=S(=O)(NC1CCC(CC1)O)c2c(ccc(-c3cnc(N)nc3C)c2)Cl	1207
+Nc1c([N+]([O-])=O)cc(-c2cc(F)c(cc2)[N+](=O)[O-])cc1	99
+C1CC1c2c(OC(F)(F)C)cc(cn2)O	4393
+C[Si](C)(C)CCOCn1c(Br)c(-c2cc(OC)c(N)nc2)nc1N3CCNCC3	2923
+FC(F)(F)Oc1cnc(cc1)-c2ccc(C(O)(C(C)(C)C)c3cncnc3)c(C)c2	245
+O=Cc1ccc(cc1[N+]([O-])=O)-c2ncccc2	245
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)F)NC(c3sc4c(C(=O)C(C)(C)C4)c3)=O	2810
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)c3cc4c(CC(C)(C)C4O)s3)c(cc2)F	7991
+CC(C)(C)OC(Nc1cc(C=2CCCC=2)ccc1[N+](=O)[O-])=O	2924
+O1CCOC12CCC(=CC2)c3cc(c(cc3C)[N+]([O-])=O)OC(C)C	2924
+C1CC(CCN1c2c(C#N)cc(cn2)-c3cc(F)c(N4C=NN(CCC)C4=O)cc3)c5nc(on5)C(C)C	391
+C1OC(CCC1)Oc2cc(Cl)c3c(B(OC3CC(OCC)=O)O)c2	7992
+C1CCCN1CCNc2cc(cc(-c3ccc4c(c(ncn4)N)n3)c2)F	1592
+C1CCCC1n2c3ccnc(c3c(-c4cc(CC#N)ccc4)n2)OC	2925
+C(=C(C(=O)O)OC)c1cc(c(cc1)-c2cc(ccc2)N(C(=O)NCCCCCCC)C)OCCCC	1049
+FC(F)(F)c1cc(NC(=O)c2cc(c(C)c(I)c2)-c3cccc(c3)[N+]([O-])=O)ccc1	4394
+n1cccc(C#N)c1-c2c(F)ccc([N+]([O-])=O)c2	362
+C(#N)c1ccccc1-c2c(ccc([N+]([O-])=O)c2)F	99
+c1cc(ccn1)C2(N=C(c3c(F)cccc23)N)c4ccc(F)c(c4)-c5cncc(C#N)c5	7993
+c12cnc(-c3cncc(OC)c3)cc1c4c([nH]2)ncc(c4)F	2926
+n1cc(cc(OC)c1)-c2nn3c(s2)ncc3I	7994
+c1cc(ccc1)CN2CCOC(COc3ccc(cc3)-c4ccnc(C)c4)C2	1802
+c1cc(ccc1C=2C(C(C(Nc3ccc(cc3)-c4c(ncc(-c5cc(C)ncc5)c4)N)=O)=CN(CCF)C=2)=O)F	1420
+c1ccccc1-c2nc(c(c(-c3cc4NC(=O)Nc4cc3)n2)C(C(=O)OC)CCC)C	379
+c1ccccc1OCCOc2c(C(OC)=O)nc(cc2)-c3cc4c(CCCN4)cc3	245
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)C(=O)N(CC3)C	497
+c12c([N+]([O-])=O)ccnc1n(cc2-c3ccc4c(N(CC4)C)c3)C	4167
+c1cc(ccc1F)-c2c(c3cc(-c4nc5c(oc(n5)Cc6ccc(cc6)F)cc4)c(cc3o2)N(S(=O)(=O)C)C)C(NC)=O	245
+c1cc(ccc1-c2oc3cc(c(cc3c2C(NC)=O)-c4cn5ccnc5cc4)N(S(=O)(=O)C)C)F	156
+FC(F)Oc1c(c(OCC(=O)NCCC)c(-c2cc3c(cc2)C(=O)NC3)cc1)OC	99
+C1CN(CCO1)c2c(nc3c(cc(-c4c(cccc4C)C(c5nccnc5)O)cc3)c2)N	99
+O=S(=O)(C)N(C)c1c(-c2nc-3c(cc2)OCn4c5ccccc5cc-34)cc6c(oc(C=7CCCC=7)c6C(=O)NC)c1	362
+C1CN(CCC1Cn2ccc3cc(ccc23)-c4c(C)n(C5CCCCO5)nc4)C(CCc6ccccc6)=O	1122
+c1cncc(c1-c2[nH]c3c(cc(cn3)-c4cc(-c5nccnc5)nn4CC)c2)C	2927
+CC1(C)C(C)(C)OB(O1)c2cc3c([nH]2)c(OCC)ccc3	7995
+C[Si](C)(C)CCOCn1c2ccc(cc2nc1)-c3nc(CS(=O)(=O)C)cc(N4CCOCC4)n3	4395
+FC(F)(F)c1cc(c(-c2cc(Br)cnc2OC)cc1)C=O	156
+CC1(C)C(C)(C)OB(O1)c2ccc(C3OCC(CC)CC3)cc2F	7996
+FC(F)(F)c1c(c(c(COc2cnc(cc2)-c3ccc(cc3C)CC(=O)OC)cc1)C(OC(C)(C)C)=O)O	362
+O=S(=O)(N(Cc1cc(Cl)c(cc1)-c2ccc(cc2)N3C(c4c(OCC3)ncnc4N)=O)C)C	99
+CC(C)Cn1c(cc(C(OCC)=O)n1)-c2ccc(cc2)-c3ccc(c(S(=O)(=O)C)c3)CO	99
+CC1(C)C(C)(C)OB(O1)c2c(F)cc(NC(=O)Oc3ccccc3)cc2	90
+c1(N2CC(CNC(OC)=O)OC2=O)ccc(-c3cnc(-c4nnnn4C)cc3)c(F)c1	156
+FC(F)(F)c1c(ccc(-c2ncc(cn2)-c3cccc(C=O)c3CC)c1)OC(C)C	261
+FC(F)(F)c1cc(ccc1OCCC2CCN(CC2)C(=O)OC(C)(C)C)-c3cc(c(c(n3)C#N)N)NC	362
+CC1(C)C(C)(C)OB(O1)c2ccc(c(c2)C(F)(F)F)OCCCO	168
+FC(F)(F)c1cc(ccc1OCc2cnccc2)-c3cc(c(c(n3)C#N)N)NC	362
+n1cc(cnc1-c2cc(C#N)c(cc2)CC(C)C)Br	2520
+c1cc(ccc1)CNC(=O)c2cc(C=3c4c(C(N(C=3)C)=O)cccc4)ccc2OC	4396
+FC(F)(F)c1c(ccc(c1)-c2cc(c(c(n2)C#N)N)NC)OCOCCOC	362
+CC(C)(C)OC(=O)c1c(F)ccc(-c2c(CC(=O)OC)cc3oc(-c4ccc(cc4)F)c(C(=O)NC)c3c2)c1	1049
+n1cc(cnc1N2CCOC(Cn3c4nc(-c5cn(C)nc5)cnc4nn3)C2)-c6ccc(C=O)c(F)c6	1207
+c1cc(ccc1)COCn2c(C=O)c(c(Cc3c(cccc3)F)c2-c4ccc(OC(F)F)c(OC5CC5)c4)C(=O)OCC	3955
+C[Si](C)(C)CCOCn1c2cnnc(c2c(Cl)c1-c3cc(c(cc3)OC)OC4CCC4)O	7997
+FC(F)(F)c1c(ccc(c1)-c2cc(c(c(n2)C#N)N)NC)OCCCO	362
+CC(C)Cc1cc(ccc1-c2ccc(c(CC(C)C)c2)-c3ccc(OC)c(Cc4cccc5c4cccc5)c3)CCC#N	1049
+CC(C)Cc1c(-c2cc(c(OC)cc2)Cc3cccc4c3cccc4)ccc(CCC#N)c1	1049
+c1cc(ccc1-c2ccc(cc2)C(O)=O)-c3onc(C)c3NC(OC(C)c4c(Cl)cccc4)=O	99
+c1cc(ccc1-c2c(cc3[nH]cc(C(OC)=O)c3c2)Br)-c4c(O)cccc4	756
+c1cc(ccc1-c2cc3c(C=O)c[nH]c3cc2F)-c4c(O)cccc4	99
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)-c3cnc(N)c(-c4nc5c(ccnc5)o4)n3)=O	1368
+c1cc(ccc1-c2nc(C3CCCN3C(=O)OCc4ccccc4)n5ccnc(c25)N)C(=O)Nc6sc7CCCCc7n6	1729
+c1cc(ccc1-c2c(F)c(F)c(c(F)c2F)N)CCCCCCCC	99
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)COc3cc4c(cc3)C(c5c(C(O)=O)cccc5)=C6C(=CC(C=C6)=O)O4	1
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)NCc3cnccc3	7998
+c1cc(ccc1-c2c(N)ncc(c2)Br)N	1642
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NS(=O)(=O)c3cccc(c3Cl)Cl	69
+c1cc(ccc1N)-c2cc([N+](=O)[O-])c3ccccc3n2	7999
+c1cc(ccc1-c2nc(c3c(CN(C)C3)n2)N4CCOCC4C)N	261
+c1cc(ccc1-c2cccc3c(nccc23)Nc4ccc5c(cccn5)c4)N	99
+c1cc(ccc1-c2c(C#N)c(cnc2)Cl)N	4397
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(C3=C(N(CC(C)(C)O)N(c4ccccc4)C3=O)C)=O	1349
+c1cc(ccc1N)-c2n3c(nc2)cnc(C(=O)N(C)c4ccc(cc4)C#N)c3	2193
+c1cc(ccc1-c2nc(N3C(C)COCC3)c4c(n(nn4)CC)n2)N	261
+c1cc(ccc1B(O)O)S(=O)(=O)Nc2c(F)cc(c(F)c2)C(OC)=O	1050
+O=Cc1c(cc(-c2ccc(cc2C)O)cc1)OCCCC	99
+c1cc(ccc1-c2ccc(CN(C)C(=O)C)cc2Cl)N3C(c4c(OCC3)ncnc4N)=O	99
+c1c(-c2ccc(cc2F)OC)c(F)cc(c1)C(=O)OC	99
+n1c(ccc(c1)-c2cc3c(nc(o3)C)cc2C)N	4398
+c1(Cl)cc2c(cc1-c3cnc(cc3)N)ocn2	4398
+FC(F)(F)c1ccc(cc1)-c2nc(-n3cc(-c4ccc(nc4)N)nc3C)nc(c2)C	2923
+FC(F)(F)c1ccc(-c2cc(nc(-n3cc(-c4cnc(N)cc4)nc3)n2)C)cn1	8000
+n1nc(-c2cnc(cc2)N)ccc1	1633
+O=S(=O)(c1ccc(-c2oc(C)cc2)c(F)c1)Nc3cc([N+](=O)[O-])ccc3	4399
+O=S(=O)(c1ccc(-c2ccc(C)o2)cc1Cl)Nc3cc(N)ccc3OC	4399
+C(CC1(C(=O)c2ccc(cc2CC1)-c3ccc([N+]([O-])=O)cn3)C)(OCC)=O	245
+c1cc(ccc1F)-c2n(nc(C)c2-c3ccc4c(NC(=O)CO4)c3Cl)C	1122
+O(C)c1c(F)c(c(F)c(OC)c1)-c2nc3n[nH]c(c3cn2)-c4ccc5C(=O)N(CC(C)O)Cc5c4	918
+c12c(N(C(=O)O1)C)cc(cc2)-c3cnccc3C(C)O	156
+c1ccc2CN(Cc2c1)C(c3nc(nc4c3cc(-c5c(C=O)cc(F)cc5)cc4)N)=O	99
+OB(O)c1cc2ccc(Cl)cc2cc1	1050
+O=S(=O)(C)Cc1cc(N2CCOCC2)nc(-c3cc4cnn(c4cc3)S(=O)(=O)c5ccc(cc5)C)n1	261
+C1CC1C(NS(=O)(=O)CC)c2cc(-c3cc4ccc(cc4cc3)C#N)cnc2	156
+c1cc(ccc1)-c2ccc3ccc(cc3n2)-c4c5c(ncnc5N)n(-c6ccccc6)c4	3874
+C1CC1N2C(=O)COC3(CCN(CC3)C(C)c4ccc(cc4)-c5ccc6cccnc6c5)C2	803
+FC(F)(F)c1cccc(C(=O)Nc2c(C)c(c(cc2C)C)-c3cc4c(nc(N)nc4)cc3)c1	99
+O=S(=O)(c1c(cccc1C)Cl)Nc2c(Cl)ncc(c2)-c3ccc4nc(sc4c3)NC	8001
+FC(F)(F)c1cccc(Oc2nccc3c(-c4ccc5nc(NC)ncc5c4)c(ccc23)C)c1	756
+CC(C)(c1cc(-c2c3c([nH]nc3)ncc2)ccc1)C#N	8002
+CC(C)(C)OC(=O)c1ccc(cc1)NC(=O)c2cc(ccc2)-c3cn4ncnc4c(Br)c3	1642
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2cnc3n2ncc(-c4cccc(c4)C(=O)OC)c3	8003
+C(c1c(ccs1)-c2cc(ccc2)-c3cnc4n3ccc(C=O)c4)#N	2193
+COc1cc(cc(OC)c1)-c2cccc(C(OCC)=O)c2	99
+c12ccc(cc1[nH]c3c(ccc(-c4c(c(N5C(=O)C=C6N(C=CC=C6Cl)C5=O)ccc4)C)c23)C(=O)N)COC	492
+c1cc(ccc1S(=O)(=O)n2cc(c3c(cccc23)-c4nc(OC)c5c(n4)CCN(Cc6ccccc6)C5)C)C	4395
+FC(F)(F)c1ccc(cc1)-c2nc(nc(c2)C)-n3cc(nc3)-c4cccnc4	2923
+c1cc(ccc1CNc2c(cc(cn2)-c3cnccc3)-c4ncsc4-c5c(c(ccc5)Cl)Cl)OC	907
+n1cc(cnc1N2CCCC(Cn3nnc4ncc(nc34)-c5cn(C)nc5)C2)-c6ccn(CCOC7OCCCC7)n6	8004
+N1(C)C=C(c2ccnc(c2COC(=O)C)N3C(c4n(c5CCCCc5c4)CC3)=O)C=C(C1=O)Nc6nn7CCOCc7c6	8005
+c1cnccc1-c2c(-c3occn3)nc(c([N+](=O)[O-])c2)N	1420
+c1cnccc1-c2cn(nc2-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F)CCOC5OCCCC5	8006
+c1cc(ccn1)-c2cc(c(nc2-c3cc(F)ccc3)N)[N+](=O)[O-]	1420
+c1cnccc1-c2cc(cc(F)c2)Br	1802
+c1cc(ccc1Cl)-c2c(-c3ccncc3)c(Cl)ncc2	1420
+FC(F)(C(F)(F)Cl)c1ccc(cc1)NC(c2cc(-c3n(C4OCCCC4)ncc3)c(nc2)N5CCC(C5)O)=O	2928
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc(c(nc2)OCCOC)-c3n(C4OCCCC4)ncc3	2928
+CC(C)n1ncc(c1)-c2cc(Oc3ccc(N)c(c3)F)ccn2	1396
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc(-c3ccc(nc3)-c4cccc(N)c4)c2	1029
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3cc(c(nc3)N)-c4nc5c(c(ccc5)C(=O)OC)o4)cn2	1029
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc(-c3nc(OC(C4CNC(=O)C4)C)c5c(nn(c5)C)c3)c2	1675
+C[Si](C)(C)CCOCn1c2ncc(nc2c(c1)C=O)-c3cnn(CC)c3	8007
+c1cc(ccc1[N+](=O)[O-])-c2c(cn(CC)n2)-c3cc(nc4c3cc[nH]4)Cl	4400
+c1cc(ccc1-c2nn(CC)cc2-c3c4cc[nH]c4ncc3)[N+](=O)[O-]	4400
+C1CC1c2ccc(-c3nc(c4cn(nc4c3)C)OC(C5CNC(=O)C5)C)cn2	4401
+c1(C)cc(cc(C)c1C(=O)OC)-c2cc(c(OC)nc2)OC	391
+C[Si](C)(C)CCOCn1cc(nc1-c2ccc(cc2Cl)-c3c(cc(nc3)OCC4(CCC4)C(OCC)=O)C)C(F)(F)F	391
+C[Si](C)(C)CCOCn1cc(nc1-c2c(Cl)cc(cn2)-c3cnc(cc3C)OCC4(CCC4)C(OCC)=O)C(F)(F)F	907
+FC(F)(F)c1cc(-c2nc(C#N)c(c(NC)c2)N)cnc1OCCC3CCN(CC3)C(=O)OC(C)(C)C	1608
+FC(F)(F)c1cc(NC(Cc2ccc(cc2F)-c3cc(c(OCc4ccc(cc4)OC)nc3)OCC)=O)cnc1C(C)=O	391
+FC(F)(F)c1c(N)ncc(c1)-c2cc(nc(Cl)n2)Cl	2788
+FC(F)(F)c1cc(-c2cnc3n2nc(s3)-c4cccc(S(=O)(=O)C)c4)cnc1N	2921
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4nc(-c5cnc(c(c5)C)OC)c(C)c(C)c4)=O	1608
+O=S(=O)(c1ccc(cc1)-c2cnc(nc2)CC)Nc3c(F)c(F)c(c(F)c3F)C(=O)OC	1629
+c1nc(ncc1-c2ccc(cc2)C3(c4ccc(c(OC5CCCC5)c4)OC)C=CC(CC3)=O)N	1629
+FC(F)(F)C1CCCN1c2ncc(cn2)-c3nc(ccc3)N	8008
+C1OC(CCC1)OCCCN2C(=O)N(c3c(cc(cn3)O)C2=O)C	4393
+C1CCCCC1c2cc3cc(cnc3[nH]2)-c4n(nc(-c5nccnc5)c4)CC	2927
+C1CCCCC1c2cc3cc(-c4n(nc(c4)-c5cnccc5)CC)cnc3[nH]2	2927
+C(C)OC(c1cncc(-c2cnc(NC(NCC)=O)cc2Br)c1)=O	2711
+FC(F)(F)c1csc(-c2c(-c3cc(cnc3)C(=O)OCC)cnc(NC(=O)NCC)c2)n1	907
+c1(cncc(c1)-c2ccc(-c3cc4c(C(N(C4)C)=O)cc3)s2)N	8009
+COc1c2c(C#N)cnn2cc(-c3cnn(C)c3)c1	1029
+n1c(F)c(cc(-c2cnn(C)c2)c1)F	4111
+O(c1ccnc(-c2cnn(C)c2)c1)c3cnc(cc3)[N+]([O-])=O	1396
+O(c1cnc(cc1)N)c2ncnc(-c3cnn(C)c3)c2	2194
+c1(cc(-c2cnn(C)c2)ccc1N)C	320
+c1(c(c(c(cc1)Oc2cc(-c3cnn(C)c3)ncc2)F)F)N	1396
+Nc1ccc(-c2cnn(C)c2)cc1[N+]([O-])=O	320
+c1cc(cc(-c2c(cc(-c3cnn(C)c3)cc2)C=O)c1OC)CC(OCC)=O	320
+CN1C(c2c(C=C1)cc(-c3cnn(C)c3)cc2)=O	320
+c1cc(ccc1N)-c2c(N)ncc(-c3cnn(C)c3)c2	1029
+c1cc(ccc1-c2cnn(C)c2)C=3CCNCC=3	320
+c1cc(ccc1Cl)-c2cnn(c2)C	8010
+n1(C)ncc(-c2nnc(cc2)Cl)c1	3707
+c1ccccc1-c2nn(c3c2cc(-c4cn(nc4)C)nc3)C5CCCCO5	1864
+c1ccccc1S(=O)(=O)n2ccc3cc(-c4cnn(C)c4)cnc23	1029
+n1c([nH]c2ncccc12)-c3cc(-c4cnn(C)c4)cnc3N	1029
+C1CC1n2ncc(-c3cc4c(N(C(C)CN4)C(=O)C)cc3)c2	320
+n1n2c(c(c1)-c3ccnc(Cl)n3)CCCC2	2194
+CC1(C)C(C)(C)OB(O1)c2c(Cl)cnn2C	697
+c1(cc(-c2ccnn2C)c(C)s1)C(=O)OC	1730
+c1(cc(-c2ccnn2C)c(Cl)s1)C(=O)OC	1730
+c1(cc(-c2ccnn2C)cs1)C(=O)OC	1730
+COc1c(-c2ccnn2C)cc(s1)C(=O)OC	1730
+o1c(cc(-c2ccnn2C)c1C)C(=O)OC	4402
+CCn1c(ccn1)-c2coc(c2)C(=O)OC	4402
+CC(C)(C)OC(=O)N(C(C)C)c1ncc(-c2cc(c3nc(C(=O)OCC)cn3c2)-c4ccccc4)s1	8011
+CC1(C)OB(OC1(C)C)c2c(cccc2C)N	2666
+c1ccccc1COC(=O)NC2C(C)(C)C(C)(C#N)CC2	8012
+CC1(C)C(C)=Cc2cc(Sc3cc(ccc3)O)ccc2O1	5
+CC1(C)c2c(ccc([N+](=O)[O-])c2)N=C1C	77
+c1(c(Cl)c(c(c(F)n1)Cl)COC(C2C(C)(C)C2C=C(Cl)Cl)=O)F	204
+ClC(Cl)=CC1C(C)(C)C1C(=O)OCc2cc(ccc2)-c3cscc3	204
+CC1(C)CC(=O)C(C)(C)c2c1cc(C=Cc3cc(C)c(cc3)C(=O)O)c(C)c2	86
+CC1(C)c2c(C(C)(C)CC1CC)ccc(C)c2	8013
+CC1(C)c2ccc(cc2C(C1CC=O)=O)CC	8014
+CC1(C)CCCCC1CN(C)c2cccc(F)c2	891
+CC1(C)c2cc(OC)c(cc2CCC1=O)CC	1818
+ClC1(Cl)C(COS(=O)(=O)c2ccc(cc2)C)C1(C)C	36
+FC(F)(F)c1c(-c2c(CBr)nc3cccc(c3n2)Cl)cccc1	4403
+FC(F)(F)c1cc(Br)cnc1OCC	8015
+c1(c(c(ccc1F)Br)F)-c2ccc(cc2C#N)F	1718
+Nc1cc(OC)c(cc1Cl)Br	1718
+c1(cc(cc([N+]([O-])=O)c1C)Br)C(=O)O	1718
+c1c([N+](=O)[O-])cc(cc1Br)[N+](=O)[O-]	1718
+c1cc(cc(c1)-c2c(nc3c(n2)c(Cl)ccc3)CBr)F	4403
+c1ccccc1-c2c(nc3c(cc(F)cc3)c2C(OC)=O)C(C)Br	8016
+C(O)CCc1n2c(c(Br)c1)c(N)ncn2	8017
+CC1(C)Nc2ccc(Br)c(CNc3ccccc3OC)c2N(C1=O)C	1731
+CC1(C)C(=O)N(c2c(N(CC)C1=O)ccc(O)c2)C	5
+CC1(C)c2ccc(-c3cnccc3)c(F)c2N(C)C1=O	1617
+CC1(C)C(N(c2c(cc(CCC(OCC)=O)cc2)N(C1=O)C)CC)=O	159
+CC1(C)c2c(N(C)C1=O)cc(O)cc2	5
+c1cc(ccc1)CN2C(C3(CC3)O)COC(C)(C)C2=O	8018
+CC1(C)C(N(c2ccc(cc2N(C)C1=O)OCCCI)CC)=O	363
+C1CCCC1N2c3c(cnc(Nc4ccc(cc4OC)C(=O)O)n3)N(C)C(C(C)(C)C2)=O	55
+CC1(C)C(N(c2c(cc(cc2)CCC(=O)O)N(C1=O)C)CC)=O	3
+CC1(C)C(N(C)c2c(CCl)c(ccc2N1)Br)=O	229
+CC1(C)c2c(N(CC)C1=O)cc(c(c2)[N+](=O)[O-])N	106
+CC1(C)C(=O)N(c2c(cc(C=O)cc2)N(C)C1=O)CC	1543
+CC1(C)C(N(c2ccc(OCCCNS(=O)(=O)c3ccccc3[N+]([O-])=O)cc2N(C)C1=O)CC)=O	71
+O=S(=O)(c1c(cccc1)[N+](=O)[O-])N(CCc2cnccc2)CCCOc3ccc4N(C(=O)C(C)(C)C(=O)N(c4c3)C)CC	2821
+CC1(C)C(=O)N(CC)c2c(N(C1=O)C)cc(OCCCn3c(CN4C=Cc5c(cc(C)o5)C4=O)nc6ccccc36)cc2	1519
+CC1(C)C(NC(c2c(N)c(N)c(Br)cc12)=O)=O	0
+CC1(C)C(NC(=O)c2c1cc(c3c2[nH]c(-c4ccc(c([N+](=O)[O-])c4)C)n3)Br)=O	622
+c1cc(ccc1)-c2cn3ncc(C(=O)N)c(NC4CCC(C(=O)OC)(C4(C)C)C)c3c2	550
+CC1(C)C(c2cccc(Br)c2)Nc3c(cc(cc3C(OC)=O)Cl)C1	414
+CC1(C)C(Nc2c(C1)cc(Cl)cc2C(O)=O)c3cccc(NC(c4cnccn4)=O)c3	466
+C1CC1S(=O)(=O)NC(c2c3c(CC(C)(C)C(c4cccc(c4)NC(c5cnccn5)=O)N3)cc(Cl)c2)=O	258
+CC1(C)C(Nc2c(cc(cc2C(OC)=O)Cl)C1)c3cc(N)ccc3	0
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(=O)OC)[N+]([O-])=O	414
+O=S(=O)(C1CC1)NC(=O)c2cc3CC(C)(C)C(Nc3cc2)c4c(ccc(c4)F)C	258
+CC1(C)C(Nc2c(C1)cc(Cl)cc2C(O)=O)c3cc(N)ccc3	1
+CC1(C)C(=O)Nc2c(CO)c(Br)ccc2N1	98
+C1COCCN1c2cnc3c(NCC3(C)C)c2	15
+CC1(C)C(Nc2ccc(cc2C1)C(OCC)=O)c3cccc([N+](=O)[O-])c3	414
+C1CN(CCN1c2c(cc(C)cc2)C)c3cc(C4Nc5ccc(cc5CC4(C)C)C(=O)O)ccc3	6
+CC1(C)Cc2cc(C(OCC)=O)ccc2NC1c3cccc(N)c3	0
+CC1(C)C(c2c(ccc(c2)F)C)Nc3c(cc(cc3)C(OCC)=O)C1	414
+CC1(C)CC(CCC1O)Nc2c(C#N)cnc(n2)NCCc3cc(Cl)c[n+]([O-])c3	435
+CC1(C)CC(CCC1O)Nc2nc(ncc2C#N)NCCc3c(ccc(Cl)c3)S(=O)(=O)N	435
+CC1(C)Cc2cc(C(OCC)=O)ccc2NC1c3cc(ccc3)Br	414
+c1cc(ccc1C(CC(C)(C)C(=O)O)=O)Br	882
+O=S1(=O)c2c(cc(c(c2C(=O)C(C)(C)C1)C)C(C)=O)C	902
+CC1(C)C(=O)c2c(C1)cc(CCCCCC)c(O)c2	5
+CC1(C)C(Nc2c(cc(cc2)C(O)=O)C1)c3c(ccc(c3)F)C	6
+CC1(C)C(Nc2c(C1)cc(cc2C(OC)=O)Cl)c3cc([N+](=O)[O-])ccc3	414
+CC1(C)C(c2cccc(-c3ccc(cc3)S(=O)(=O)C)c2)Nc4c(cc(C(=O)NS(=O)(=O)C5CC5)cc4)C1	258
+CC1(C)Cc2cc(ccc2NC1c3cccc(c3)NS(=O)(=O)C)C(O)=O	80
+CC1(C)C(n2cncc2C(O)C)c3c(C(=O)O1)cccc3	3920
+CC1(C)C(c2ccccc2C(=O)O1)n3cncc3C=O	614
+CC1(C)C(c2ccccc2C(O1)=O)n3cncc3C(=O)C	4404
+CC1(C)C2(CC2CC1CC=C(C=O)C)C	3799
+FC(F)(F)C(N1CCC2(c3cccc(c3CC1C2(C)C)O)C)=O	520
+CC1(C)C2CCC1(C3=C2C(N(c4c(Cl)cc(F)cc4)N3Cc5c(F)cc(cc5)F)=O)C	4405
+c1cc(ccc1F)CN2N(C(=O)C3=C2C4(CCC3C4(C)C)C)c5ccc(F)cc5Cl	4405
+CC1(C)C(CC=C(C)CO)CC2C1(C2)C	8019
+CC1(C)COc2c(C13C=C(C(N)=N3)F)cc(Br)cc2	8020
+CC1(C)C2=CCC3C4CC=C(C4(CCC3C2(C)CCC1O)C)C(C)CCCC(C)C	8021
+c1cc(ccc1)C(=O)OC2C(C)(C)C3=CCC4C(C3(C)CC2)CCC5(C(=CCC45)C(C)CCCC(C)C)C	279
+CC1(C)C2(C3=C(C(=O)N(N3)c4c(Cl)cc(cc4)F)C1CC2)C	8022
+CC1(C)C2CC1C(C(C(OC)=O)C2)C	204
+CC1(C)C2CC(C(C)C1C2)C(N)=O	2168
+CC1(C)C(C(c2c(O1)ccc(c2)CC(NC3CCCc4ccccc34)=O)N)O	8023
+Cc1cc(cc(C)c1O)CNC(c2sc(c3c2CC4C(C)(C)C34)C)=O	227
+CC1(C)C2C(C(CC1C2)C(=O)Cl)C	130
+CC(C)(c1cc2c(C3C(CCC(=O)C3)C(C)(C)O2)c(O)c1)C(=O)O	4
+CC1(C)C2C1c3c(C2)c(sc3C)C(=O)O	6
+CC1(C)C2=NC(C(=O)NCc3ccc(F)cc3-c4oc(cn4)C)=C(C(=O)N2CCO1)OCc5ccccc5	8024
+CC1(C)C=2N(C(C(=C(C(O)=O)N=2)OCc3ccccc3)=O)CCO1	108
+CC1(C)Oc2c(C(C(C)C)=C1)cc(c(OCC)c2)C(=C(F)C(OCC)=O)C	2905
+CC1(C)C=C(C)c2c(ccc(c2CNc3ccccc3OC)-c4ccc(cc4OC)OS(=O)(=O)CCC)N1	444
+CC1(C)C=C(C)c2c(N1)ccc(c2CNc3ccccc3OC)-c4c(cc(cc4)OC(c5c(nccc5)C)=O)OC	8025
+CC1(C)C=C(C)c2c(ccc(-c3ccc(OCOC)cc3OC)c2CNc4ccccc4OC)N1	1731
+CC1(C)C=C(C)c2c(CNc3ccccc3OC)c(-c4c(cc(O)cc4)OC)ccc2N1	241
+CC1(C)CC(C)(C)CC(c2c(cccc2F)N)=C1	0
+CC1(C)C(C)(C)C=C(C1)c2c(N)cccc2	0
+CC1(C)Oc2c(C(C(C)C)=C1)cc(c(O)c2)C(=O)C	5
+CC1(C)C=C(N2C(C=C(C=C2)C(CCO)O)=O)c3c(O1)ccc(C#N)c3	44
+CC1(C)C=C(C)c2c(c(-c3ccc(cc3OC)OCOC)ccc2N1)CCl	438
+CC1(C)Nc2ccc(c(COc3c(C)ccc(c3)F)c2C(=C1)C)-c4ccc(cc4OC)OCOC	20
+C1CC(CCC1=O)(C)C	1678
+CC1(C)C=Cc2c(cc3c(nc(cc3C)C#N)c2)O1	8026
+CC1(C)Cc2ccc(cc2C=C1)C#N	180
+CC1(C)C2C(c3cc(ccc3O1)CC(=O)NC4CCCc5ccccc45)O2	8027
+CC1(C)CCC(CC(=O)OCC)(C[N+](=O)[O-])C1	3680
+CC1(C)CC(=O)C2=C(NC(=C(C2c3ccccn3)C(=O)OCC)COCCN)C1	18
+CC1(C)c2c(c(C)cc([N+]([O-])=O)c2)NC(=O)C1	31
+c1cc(ccc1C)S(=O)(=O)Nc2c(cccc2)Cc3c4C(CC(C)(C)Cc4n(CC(=O)OCC)c3C)=O	69
+CC1(C)Cc2[nH]c(c(Cc3c(cccc3)[N+]([O-])=O)c2C(=O)C1)C	2188
+c1ccccc1COc2ccc3OC(C)(C)CC(=O)c3c2	22
+CC1(C)C=C(CC(C)(C)C1)c2c(cccc2C)N	0
+c1cc(ccc1C#Cc2cc3c(c(c2)C=O)OC(C)(C)CC3(C)C)CC(=O)OC	129
+O=S(=O)(NC(c1ccc(nc1N2CC(C)CC2(C)C)Cl)=O)c3c(nccc3)O	43
+c1ccccc1S(=O)(=O)NC(c2ccc(-c3cc(cc(F)c3)OCC(C)C)nc2N4CC(C)CC4(C)C)=O	43
+C1CC1CN2CCN(CC2)c3c(C=4CC(C)(C)CC(C)(C)C=4)cccc3	252
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(O)c(Cl)c2)c3ccc(cc3)C=CC(=O)OCC	233
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(O)c(Cl)c2)c3ccc(cc3)C=CC(=O)O	108
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)OCC)c3ccc(O)c(F)c3	233
+CC1(C)CC(CC(C)(C)C1)=C(c2ccccc2)c3ccc(cc3)C=CC(=O)OCC	233
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)N)c3ccc(cc3)O	2045
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)O)c3ccc(O)c(F)c3	108
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)-c3c(cccc3)CO)c4ccc(cc4)O	88
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccc(cc3)-c4c(COC)cccc4	49
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccc(cc3)C=CC(OCC)=O	233
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccc(cc3)-c4ccccc4C(=O)OC	11
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)O)c3ccc(cc3)O	108
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)OCC(OCC)=O)c3ccccc3	52
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)OCC(=O)N)c3ccccc3	83
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)OCC(=O)O)c3ccccc3	3
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)O)c3ccccc3	108
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)Br)c3ccc(O)c(F)c3	904
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccc(cc3)Br	904
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(O)c(Cl)c2)c3ccc(cc3)Br	904
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)Br)c3ccccc3	904
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccccc3	904
+CC1(C)CC(CC(C)(C)N1Cc2ccc(cc2)Cl)=O	131
+CC1(C)CC(CC(C)(C)N1)N2C(=O)c3ccccc3C2=O	672
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)Br)ccn2	306
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(-c3ccc(-n4ccc(n4)N)cc3O)nn2)C	5
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3ccc(cc3O)-c4ncn(COCC[Si](C)(C)C)c4)C	5
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(nn2)-c3ccc(cc3OC)-c4ncn(COCC[Si](C)(C)C)c4	1715
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(-c3ccc(-n4nc(cc4)N)cc3OC)nn2	746
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(OC)cc4c(c(O)ccn4)c3)C	746
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(nn2)-c3ccc(cc3OC)O	746
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(cc4nccc(c4c3)Cl)OC)C	120
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(O)cc4nccc(OC)c4c3)C	260
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(cc4nccc(Cl)c4c3)O)C	5
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(cc(cc3)-c4cnc[nH]4)O)C	503
+CC1(C)CC(CC(C)(C)N1)N(c2sc(-c3ccc(-n4nccc4)cc3OC)nn2)C	4173
+CC1(C)CC(CC(C)(C)N1)N(c2sc(nn2)-c3c(cc(cc3)-n4nccc4)O)C	5
+CC1(C)CC(CC(C)(C)N1)N(C)c2nnc(cc2)Cl	212
+CC1(C)CC(CC(C)(C)N1)N(c2nnc(Br)s2)C	2339
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(O)C)ccn2	100
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(N)C)ccn2	18
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(C)N=[N+]=[N-])ccn2	2780
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(C)OS(=O)(=O)c4ccc(cc4)C)ccn2	36
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(=O)C)ccn2	379
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(C)(C)N)ccn2	213
+CC1(C)CC(CC(C)(C)N1)Nc2nccc(n2)-c3ccc(CCC(C)(C)N)s3	3295
+CC1(C)CC(CC(C)(C)N1C)Nc2ncc3c(n(-c4ccc(cc4)OC)nn3)n2	96
+CC1(C)CC(CC(C)(C)N1CC(F)(F)F)(c2ccc(c(c2)C=3CCC(C)(C)CC=3)NC(=O)c4nc(c[nH]4)C#N)O	251
+CC1(C)CC(CC(C)(C)N1CC(F)(F)F)=O	86
+CC1(C)CC(CC(C)(C)N1Cc2ccc(cc2)Cl)N	733
+CC1(C)CC(CC(C)(C)N1Cc2ccc(cc2)Cl)=NO	350
+CC1(C)CC(CC(C)(C)N1O)OCC2OC2	649
+CC1(C)CC(CC(C)(C)N1OCC(C)(C)O)NCCCC	87
+CC1(C)CC(CC(C)(C)O1)C(=O)O	459
+CC1(C)CC(CC(C)(C)O1)C(=O)C=[N+]=[N-]	1945
+CC1(C)c2c(ccc(C)c2)C(C)(C)CC1CCO	21
+CC1(C)C(C(=O)O)CCC(O)(c2sc(cn2)-c3cc(cc(c3)C)Nc4nccc(C)n4)C1	4
+CC1(C)CC(CCC1C(OC)=O)(O)c2sc(cn2)-c3cc(cc(c3)C)Nc4nccc(C)n4	836
+CC1(C)CN(C)C(C1)c2nnc3n2cc(F)cc3	757
+CC1(C)OCCC(N2CCN(C(Nc3ccc(Oc4cc(ncc4)-c5cn(nc5)C)cn3)=O)C2=O)C1	3953
+CC1(C)c2cc(C(=O)O)ccc2NC(c3cc(C#N)ccc3)C1	6
+c1ccccc1NC(c2cccc(c2)C3Nc4c(C(C)(C)C3)cc(cc4)C(=O)OCC)=O	67
+CC1(C)CC(Nc2c1cc(cc2)C(=O)OCC)c3cccc(C(O)=O)c3	1
+CC1(C)c2c(NC(c3cccc(N)c3)C1)ccc(Cl)c2	0
+CC1(C)CC(Nc2c1cc(cc2CC)CCCCl)=O	165
+CC1(C)c2ccccc2NCC1	15
+FC(F)(COc1c(CNc2ncc(C#N)c(NC3CCC(O)(C)C(C)(C)C3)n2)cncn1)C	435
+CC1(C)CC(O)(CCC1)CNc2ncnc3c2CN(CC3)c4ncc(C)cc4	40
+CC1(C)C=Cc2cc(Br)ccc2C1	1358
+CC1(C)Oc2cc(C(C)(C)CCCCCC)cc(O)c2C(C(=O)O)C1	16
+CC1(C)CC(c2c(C1)ccc(c2)Br)O	74
+CC1(C)CC(=O)c2c(Cc3ccccc3N)c(C)n(c2C1)CC(=O)OCC	0
+CC1(C)CC(CCS1(=O)=O)c2c3cc(cc(c3[nH]c2)C(N)=O)Br	393
+CC1(C)CC(=O)c2cc(O)ccc12	956
+CN(C)CCOc1ccc2c(C(=O)C(C)(C)CC2c3ccc(cc3)Cl)c1	72
+C1CN(CCN1c2cccc(c2)C3CC(C)(C)c4cc(ccc4N3)C(=O)O)c5c(cc(C)cc5)C	6
+CC1(C)CC1C(=O)Nc2c3c(F)c(cnc3[nH]c2)Br	469
+CC1(C)CC2(CC2)Oc3c(cc(cc13)C#Cc4ccc(c(F)c4)C(=O)O)C5CC5	1
+CC1(C)CC2(CC(C)(C)N1c3nc(Cl)nc(Cl)n3)OCCO2	436
+CC1(C)CC2=C(C(=O)C1)C(c3c(N2)c(C(N)=O)[nH]c3)c4ccc(Sc5[nH]c6ccccc6n5)o4	247
+CC1(C)CC2=C(C(c3ccc(Sc4[nH]c5ccccc5n4)o3)c6c[nH]c(C(=O)O)c6N2)C(=O)C1	6
+CC1(C)C(N2CC(c3n4c(c(Cl)ncc4)cn3)CCC2C1)=O	856
+C[Si](C)(C)CCOCn1cc(nc1C(Nc2ccc(cc2C3=CCC(C)(C)CC3)C4(CCS(CC4)(=O)=O)C#N)=O)C#N	616
+CC1(C)CCC(c2c(cc(C(C)=O)cc2)N)=CC1	0
+CC1(C)CCC(c2ccc(OC)cc2N)=CC1	0
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(Br)cc2C=3CCC(C)(C)CC=3	616
+CC1(C)CCC(=CC1)c2c(cc(C(C)(C)O)cc2)NC(c3nc(c[nH]3)C#N)=O	2929
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C=3CCC(C)(C)CC=3)CCC(=O)N	616
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(C=3CCC(C)(C)CC=3)cc(cc2)CCS(=O)(=O)N(C)C	616
+CC1(C)c2c(c(cc(Br)c2)O)C(=O)CC1	5
+CC1(C)CCC(=CC1)c2c(ccc(c2)CCC(=O)N)N	989
+CC1(C)CC=C(CC1)c2c([N+](=O)[O-])cc(cc2)C(=O)C	989
+CC1(C)c2c(c[nH]n2)C(CC1)=O	8028
+CC1(C)CCC(C)(C)C1C=O	1143
+CC1(C)CCC(C)(C)C1O	100
+CC1(C)CCC(C)(C)C1C(=O)Cl	130
+CC1(C)CCC(C)(C)C1OC(C2(CC2)NC(=O)OCc3ccccc3)=O	27
+CC1(C)CCC(C)(C)C1OC(=O)C2(CC2)N	1388
+CC1(C)c2cc(C=O)cc(O)c2C(C)(C)CC1	146
+CC1(C)c2c(OC)c(C#N)c(cc2C(C)(C)CC1)C	1421
+FC(F)(F)S(=O)(=O)Oc1c2C(C)(C)CCC(C)(C)c2cc(c1)C(=O)C	376
+CC1(C)c2c(C(C)(C)CC1)c(cc(C(C#Cc3cc(O)c(cc3)C(O)=O)O)c2)OCCOCC	121
+c1cc(ccc1C#CC(c2cc(c3c(C(C)(C)CCC3(C)C)c2)OCCOCC)O)C(=O)O	121
+CC1(C)c2c(cc3c(NC(N3)=S)c2)C(C)(C)CC1	1357
+CC1(C)CCC(C)(C)c2c1cc(C(=O)CC)c(O)c2	5
+CC1(C)CCC(C)(C)c2c1cc(O)c(c2)C(C)=O	5
+CC1(C)CCC(C)(C)c2cc(N)c(cc12)N	0
+CC1(C)CCC(C)(C)c2c1cc(c(c2)Br)Cn3nccc3	309
+c1cc(ccc1C(Cl)=O)C#CCc2ccc3C(C)(C)CCC(C)(C)c3c2	82
+CC1(C)CC2(CC1)CNC(=O)C2	1980
+c1ccccc1-c2c(cc(CC3CCC(C)(C)CC3)nc2O)OCOP(O)(O)=O	4406
+FC(F)(F)c1cc(ccc1)NC2=CC(C(C)(C)CC2)=O	4407
+CC1(C)CCC(C(C1=O)=CN(C)C)=O	2509
+CC1(C)c2cc(N)ccc2NC(=O)CC1	0
+CC1(C)CCC(=O)Nc2cc(O)ccc12	2599
+C[Si](C)(C)CCOCn1cc(nc1C(=O)Nc2cc(C(=O)C)ccc2C=3CCC(C)(C)CC=3)C#N	616
+CC1(C)CCCC(C)(C)N1c2nc(Cl)cc(Cl)n2	117
+CC1(C)C(CCCC1)CNc2cccc(F)c2	291
+c1c(F)c(c(cc1)F)C(=O)c2sc(nc2N)NC3CCN(CC3)S(=O)(=O)CCCN4CCCC(C)(C)C4	183
+CC1(C)CCC(=O)c2c1cc(Br)cc2OC	1720
+CC1(C)c2c(CCC1)cc(C(C)=O)c(O)c2	5
+CC1(C)CCCc2c1cc(OC)c(C(=O)C)c2	94
+CC1(C)c2ccccc2N(c3ccccc3NC(=S)NC(=O)c4ccccc4)CC1	865
+CC1(C)c2ccc(C(CCCCC)=C)cc2OCC1	2748
+c1cc(ccc1OCC(CCCCC)c2ccc3c(OCCC3(C)C)c2)C(=O)OC	20
+CC1(C)c2ccc(cc2OCC1)N	106
+O=S1(=O)c2c(C(C)(C)CC1)c(c(cc2C)C(C)=O)Cl	902
+CC1(C)CCSc2ccc(C#Cc3ncc(cc3)C#N)cc12	2351
+CC1(C)CCSc2ccc(C#Cc3ncc(cc3)C(O)=O)cc12	2160
+CC1(C)CCSc2ccc(cc12)C#Cc3ncc(cc3)C(=O)OCC	342
+CC1(C)CCc2c(nc3c(c2C1)c4c(o3)c(ncn4)NCc5cnccc5)OC	8029
+CC1(C)CCc2c(nc3oc4c(ncnc4c3c2C1)NCc5cnccc5)O	104
+CC1(C)c2cc(C=O)c(cc2CC1)O	5
+CC1(C)c2cc(OC)ccc2C(=O)C1	8030
+CC1(C)c2c(cc(OC)c(F)c2)CC1	4408
+CC1(C)N(CC(N(c2c(Cl)ccc(F)c2)C1)=O)CC(NS(=O)(=O)c3ccccc3[N+](=O)[O-])C4OC(C(C)C4)=O	4409
+FC(F)(F)S(=O)(=O)Nc1ccccc1CN2CC(C)(C)COC2=S	1422
+CC1(C)CC(N(C1)C)C(=O)NNc2ncc(F)cc2	355
+CC1(C)CN(C)C(c2nnc3n2cc(OC4CCC(c5c4cccc5)N)cc3)C1	870
+O=S(=O)(N1CCN(N=O)C(C)(C)C1)C	4410
+CC1(C)CN(CCOCC2CO2)C(=O)C(C)(C)N1C	649
+CC1(C)CN(C(=S)OC1)Cc2c(N)cccc2	0
+c1cc(ccc1OCOC)-c2nc3c(c(c2)CN4CC(C)N(CC4(C)C)Cc5cnccc5)c(C)nn3C6CCCCO6	2141
+O=S(=O)(CC)c1ccc2c(c1)N(CC2(C)C)C(=O)C	562
+O=S(=O)(c1c(cc2c(N(C(C)=O)CC2(C)C)c1)Br)Cl	240
+C[Si](C)(C)C#Cc1ccc(nc1)N2CC(C)(C)CC2=O	3878
+CC1(C)OCC(CCO)N(C(c2cc(c3oc(nc3c2)NC(C)c4cc(ccn4)Cl)OC)=O)C1	30
+CC1(C)OCC(N(C1)C(=O)c2cn3c(nc(n3)NCc4cccc(Cl)c4)c(OC)c2)CCO	211
+CC1(C)CN(CCN1)S(=O)(=O)C	112
+c1cc(ccc1)CN2Cc3c(nc(cc3)O)C(C)(C)C2	131
+CC1(C)c2ncc(Br)cc2N(C1)c3c4c(nc(-c5ccccn5)c3C)cc(cc4)F	8031
+CC1(C)CN(c2c1cc(Br)cc2)S(=O)(=O)c3cc(c(OCC(=O)OCC)cc3)C	416
+CC1(C)OB(OC1(C)C)c2cn(nc2)CC(C)(C)O	2790
+CC(C)(O)COc1c(cc([N+]([O-])=O)cc1)OC	626
+CC(C)(O)Cn1cc(nc1)I	2930
+CC(C)(O)Cn1ccc(n1)[N+](=O)[O-]	2790
+CC(C)(O)COc1c(OC)cc(Br)cc1	626
+CC(C)(O)Cn1ncc2cc(ccc12)Oc3c(cc(cc3)F)C#N	4411
+CC(C)(O)COc1ccc(cc1OC)N2C(C=C(C=C2)OCc3ccc(cc3)F)=O	626
+c1ccccc1CN(Cc2ccccc2)CC3CCN(CC3)CC(C)(C)O	170
+O=Cc1c2c([nH]c1)cc(Cl)c(c2)-c3cc4OCC(CO)Oc4cc3	2625
+c1cc(ccc1-c2cc3c(cc2Cl)[nH]cc3C=O)C4(CCC4)CO	2625
+c1cc(ccc1C2(COC2)COCc3ccccc3)-c4c(Cl)cc5[nH]cc(C(OC)=O)c5c4	749
+C1CN(CCN1CCCOc2ccc(cc2)-c3c(Cl)cc4c(c(C(=O)OC)c[nH]4)c3)C	749
+CC1(C)OCC(OC1)CN	18
+c1cc(ccc1)COc2nc(c(cc2)F)NCC3COC(C)(C)CO3	430
+CC1(C)COC(c2ccc(cc2)C(O)=O)=N1	1
+CC1(C)COCC(C)(C)N1N=O	8032
+CC1(C)COCC(C)(C)N1N	1651
+CC1(C)COc2ccc(-c3cc(cnc3)F)cc2C14C=C(C(N)=N4)F	305
+CC1(C)c2cc(cc(c2OC1)Br)C(=O)NC	14
+CC1(C)COc2cccc(Oc3ncc(cn3)[N+]([O-])=O)c12	893
+CC1(C)COc2c1c(O)ccc2	5
+n1cc(cnc1Oc2cccc3OCC(C)(C)c23)N	193
+CC1(C)CC(c2c(n(c(C)c2Cc3ccccc3[N+]([O-])=O)CC(=O)OCC)C1)=O	2318
+CC1(C)Cc2c(C(=O)C1)c(cn2-c3cccc(F)c3)CC	4412
+c1nc(ncc1)-n2c3c(C(=O)CC(C)(C)C3)c(c2)CC	8033
+CC1(C)Cc2[nH]nc(c2CC1)-c3cc4ccc(NC)cc4[nH]3	2931
+CC1(C)Cc2n(cc(C)c2C(C1)=O)-c3cc(Br)c(C#N)cc3	4413
+CC1(C)CC(c2c(n(cc2C)-c3cc4c(cc3)c(N)ncc4C(C)=NO)C1)=O	4413
+CC1(C)Cc2[nH]cc(CC)c2C(=O)C1	2603
+CC1(C)CC(=O)c2c(c([nH]c2C1)C)C(c3ccccc3[N+]([O-])=O)O	8034
+CC1(C)Cc2ccc(cc2C=N1)[N+]([O-])=O	77
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(-c5cc6nc(CCC)[nH]c6nc5)ccc4OCC3	3859
+CC1(C)Cc2c(CC1)ncnc2N3Cc4c(OCC3)ccc(-c5cc(c(N)nc5)NC(CCC)=O)c4	308
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(-c5cc6c(nc5)[nH]c(C(F)F)n6)ccc4OCC3	2684
+CC1(C)Cc2c(CC1)ncnc2N3Cc4c(OCC3)ccc(c4)-c5cnc(N)c(c5)N	13
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(ccc4OCC3)-c5cnc(N)c([N+]([O-])=O)c5	89
+CC1(C)Cc2c(Cl)ncnc2CC1	64
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(ccc4OCC3)B(O)O	54
+CC1(C)C(c2cccc(-c3ccc(cc3)S(=O)(=O)C)c2)Nc4c(cc(cc4)C(O)=O)C1	11
+CC1(C)Cc2cc(cc(CO)c2O1)Br	98
+CC1(C)Cc2c3[nH]c(nc3cc(C(OC)=O)c2O1)Nc4c(Cl)cccc4C	1701
+CC1(C)Oc2c(cc(-n3cnnn3)cc2C1)C(=O)OCC	797
+Clc1c[n+](cc(Cl)c1NC(=O)c2cc(C3=NC(C)(C)Cc4c3c5c(OC(C)(C)C5)c(c4)OC)ccc2)[O-]	414
+CC1(C)Cc2c(O)cccc2C1N3CCCCC3	5
+CC1(C)Cc2c(c(cc(c2)Cl)C(=O)OC)O1	47
+c1cc(ccc1S(=O)C)N2CCN(CC2)c3c(C)c4CC(C)(C)Oc4c(C)c3C	357
+CC1(C)Cc2c(C(=O)C1)c(CC)c(C(=O)O)[nH]2	6
+CC1(C)Oc2c(cc(cc2C1)Cl)O	173
+CC1(C)Cc2c(c(OC(C)=O)cc(Cl)c2)O1	196
+CC1(C)Cc2c(c(OC(=O)C)cc([N+]([O-])=O)c2)O1	77
+CC1(C)Oc2c(CO)cc(cc2C1)Cl	98
+c1ccccc1COC2C(CCCC2)Nc3cc(ccc3C#N)-n4c5CC(C)(C)CC(c5c(CC)n4)=O	250
+CC1(C)Oc2c(C1)c(c3oc(CC)cc3c2)CO	4414
+c1cc(ccc1-c2c(cccc2)C3=NOC(=O)N3)CN4C(=NC(=C(c5ccc6OC(C)(C)Cc6c5)C4=O)CC)CCC	618
+CC1(C)Oc2c(N)ccc(Cl)c2C1	0
+CC1(C)C(O)c2cccc(OC)c2C1	74
+CC1(C)Cc2c(n3c(C(=O)N(CC3)c4nccc(C5=CN(C)C(C(=C5)Nc6cc7n(CCOC7)n6)=O)c4CO)c2)C1	269
+CC1(C)N2c3c(C(=O)C(=C2)C(NCc4ccc(cc4)Cl)=O)cc(cc3C1)C#CCO	1267
+CC1(C)Oc2c(c3nc([nH]c3cc2C(O)=O)Nc4c(cccc4Cl)C)C1	1
+CC1(C)Cc2c(O1)c(C(=O)OC)cc(Br)c2	47
+CC1(C)Cc2c(NC1c3cc(ccc3)Br)ccc(c2)C(O)=O	6
+CC1(C)C(c2cccc(N)c2)Nc3c(cc(cc3)C(O)=O)C1	6
+c1ccccc1C2=NC(C)(C)Cc3c2c4c(OC(C)(C)C4)c(OC)c3	8035
+CC1(C)Cc2cc(cc(CCl)c2O1)Br	229
+CC1(C)Cc2c(O1)c(OC)cc3C(C(C)(C)N=C(c4cc(C(=O)Nc5c(Cl)c[n+](cc5Cl)[O-])ccc4)c23)O	8036
+CC1(C)Cc2cc3n(CCN(C3=O)c4nccc(Cl)c4CO)c2C1	269
+CC1(C)Cc2cc3C(=O)N(CCn3c2C1)c4c(C=O)c(ccn4)Cl	2334
+CC1(C)Cc2cc3C(N(CCn3c2C1)c4nccc(Cl)c4COC(C)=O)=O	204
+FC(F)(F)c1c(C(=O)Nc2ccc3CC(C)(C)OB(O)c3c2)ccc(F)c1	3576
+CC1(C)NCc2cc(ccc2C1)[N+]([O-])=O	1172
+CC1(C)Cc2c(ccc(C(O)=O)n2)CC1	1
+CC1(C)Cc2c(cc(C(O)=O)s2)C1=O	6
+CC1(C)c2ccc(cc2C(C)(C)N1C)N	0
+CC1(C)OC2CCCCC2N1c3nc4ccc(CNc5ncnc(Cl)c5[N+]([O-])=O)cc4s3	40
+FC(F)(F)C(NC(=O)C(=O)N1C(C)(C)C(C(=O)OCC)CC1)C	8037
+CC1(C)N(CCN(C1)c2c(OC)cc(N)cc2)C3COC3	0
+CC1(C)N(CCNC1)C	15
+FC(F)(F)c1nc(-c2cccc(C(=O)N3CC(C)(C)N(CC3)c4ccc(C#N)cn4)c2)no1	30
+CC1(C)N(c2scc(n2)-c3c(cc(cc3)C#N)F)C(OC1)=O	180
+CC1(C)N=C(c2cc(N)ccc2N(C1=O)C)c3ccccc3F	0
+CC1(C)N=C(c2c(N(C)C1=O)ccc(c2)[N+]([O-])=O)c3c(F)cccc3	239
+C1CCC2(C1)N(CC(C)(C)NC2=O)Cc3ccccc3	1330
+c1cc(ccc1C(NC)=O)OCC(O)CN(Cc2ccccc2)C(COc3cc4c(OC(C)(C)NC4=O)cc3)C	170
+CC1(C)c2c(C(=O)N1C)c(ccc2)[N+](=O)[O-]	497
+c1cc(ccc1CC2N(C(C)(C)C3C2C(=O)N(Cc4ccccc4)C3=O)C)Br	2195
+CC1(C)NC(=O)c2c(O1)ccc(OCC(C)NCc3ccccc3)c2	87
+CC1(C)NC=2N(CC1)C(=O)C=C(N=2)Cl	8038
+CC1(C)CN(C(=O)CN1CC(C2CC(C(O2)=O)CC)NS(=O)(=O)c3ccccc3[N+](=O)[O-])c4c(C)cccc4	4409
+CC1(C)N(CCNC1=O)C	8039
+c1cc(ccc1CN2C(C)(C)C(NCC2)=O)OC	1330
+c1ccccc1CN2CCNC(=O)C2(C)C	1330
+FC(F)(F)C(=O)N1Cc2cc(ccc2CC1(C)C)[N+](=O)[O-]	520
+CC1(C)Nc2ccc(c(CO)c2N(C)C1=O)-c3cc(ccc3OC)Cl	65
+CC1(C)Nc2ccccc2N(C)C1=O	239
+CC1(C)C(N(c2c(N1)cc(N)cc2)C)=O	0
+c1ccccc1C(Oc2cc(c(-c3c(COc4c(C)ccc(c4)F)c5c(NC(C)(C)C=C5C)cc3)cc2)OC)=O	1039
+CC1(C)C=C(c2c(c(-c3ccc(cc3OC)OCOC)ccc2N1)CO)C	65
+CC1(C)C(=O)N(C)c2c(ccc(-c3cc(ccc3OC)Cl)c2CCl)N1	438
+CC1(C)Nc2ccc(-c3ccc(O)cc3OC)c(COc4c(C)ccc(c4)F)c2C(=C1)C	241
+CC1(C)Nc2cc([N+]([O-])=O)ccc2N(C)C1=O	4415
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	1423
+CC1(C)OB(O)c2ccc(C=O)cc12	2196
+CC1(C)c2cc(c(F)cc2B(O)O1)C=NO	135
+CC1(C)c2c(ccc(C(Cl)=NO)c2)B(O1)O	761
+CC1(C)OB(O)c2ccc(C=NO)cc12	135
+COc1c(ccc(N)n1)C(=C)C	4416
+c1cc(ccc1)-c2ncc(C(C)=C)cc2	8040
+c1ccccc1-c2nccc(c2)C(C)=C	8041
+n1cc(N)cc(C(=C)C)c1	4416
+FC(F)(F)c1cc(c(OCc2ccccc2)cc1)C3=C(B(O)O)CCCC3	8042
+C(OC(CC1CC=C(CC1)c2c3cc(ccc3ncc2)F)=O)C	8043
+c1(c([N+]([O-])=O)cccc1)C=2CCCC=2	8044
+O=S(=O)(C)c1cc(c(cc1)F)C2=CN(C(=O)c3ccccc23)C	4417
+c1cc(ccc1S(=O)(=O)n2ccc3c2C(=O)N(C=C3c4c(c([N+](=O)[O-])c(cc4)N)Oc5c(F)cc(cc5)F)C)C	4418
+c1cc(ccc1S(=O)(=O)n2ccc3C(c4ccc5OCC(Nc5c4Oc6ccccc6)=O)=CN(C(=O)c23)C)C	4418
+O=S(=O)(c1cc(c(OCC2CC2)cc1)C3=CN(C(C=4CCCCC3=4)=O)C)C	8045
+CN(C)c1cc2c(cc1)C(=O)N(c3cccc(C4=CN(C(C(Nc5ncc(C(=O)N6CCOCC6)cc5)=C4)=O)C)c3)C=C2	8046
+CC(C)(C)OC(=O)N1CC=C(c2cc3c(nnc(C(N)=O)c3Nc4c(cc(cc4)C)F)cc2OC)CC1	563
+CC(C)(C)OC(N1CC=C(c2n3C(c4ncccc4)COc5c3c(n2)ccc5-c6c(noc6C)C)CC1)=O	8047
+FC(F)(F)c1cc(cc(N)c1)C=2CCN(C(OC(C)(C)C)=O)CC=2	563
+FC(F)(F)c1nc(NC(Nc2c3c(ncc2)ccc(C=4CCN(C(OC(C)(C)C)=O)CC=4)c3)=O)ccc1	563
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3c(ncn2)CCC3C	8048
+CC(C)(C)OC(=O)N1CC=C(CC1)c2cc(Cl)nc(Cl)c2	8049
+CC(C)(C)OC(N1CC=C(c2ccc(N)c(CC)c2)CC1)=O	563
+CC(C)(C)OC(N1CC=C(c2cnc([N+](=O)[O-])cc2)CC1)=O	1076
+CC(C)(C)OC(N1CC=C(c2cnc(N)c(-c3noc(n3)-c4ccccc4)n2)CC1)=O	8050
+CC(C)(C)OC(=O)N1CC=C(c2n(c3c(c(ncn3)-c4cc(F)ccc4OC)c2)S(=O)(=O)c5ccccc5)CC1	8051
+CC(C)(C)OC(N1CC=C(CC1)c2ccc(cc2)C(C(OC)=O)C)=O	4385
+CC(C)(C)OC(=O)N1CCC(=CC1)c2nc(c(cc2)C(N)=O)-c3ccc(cc3)C(OC)=O	4419
+CC(C)(C)OC(N1CC=C(c2ncc(cc2)C(=O)Nc3cn4c(cc3)nc(C)c4)CC1)=O	4419
+CC(C)(C)OC(N1CCC(=CC1)c2cnc(nc2)N3CCOC(Cn4c5nc(-c6cn(C)nc6)cnc5nn4)C3)=O	8052
+CC(C)(C)OC(=O)N1CCC(=CC1)c2cc(c3OC(Cc3c2)C4CCN(CC4)c5ncc(cn5)CCC)F	563
+CC(C)(C)OC(N1CC=C(CC1)c2cc3CC(Oc3cc2)(C4CCN(CC4)c5ncc(cn5)C6CC6)C)=O	563
+CC(C)(C)OC(N1CC=C(c2cnc(N)c(c2)-c3ncccn3)CC1)=O	1076
+CC1(C)c2ncc(C=3CCOCC=3)cc2N(c4c(C)c(nc5c4ccc(c5)F)-c6ccccn6)C1	1076
+c1cc(ccc1Oc2ccc(c3c2CCC3Oc4ccc5c(c4)OCC5CC(OC)=O)F)C=6CCOCC=6	563
+O=S(=O)(Cc1cc(C=2c3cc(-c4cnn(c4)C)ccc3C(N(C)C=2)=O)c(cc1F)OC)C	4417
+c1(C)ccc(c(C=C)n1)-c2oc(cn2)CC	2407
+Fc1c(OC)cc(OC)c(F)c1N2Cc3cnc(C=C)cc3N(C2=O)CC	2407
+O(C)c1c(C(=O)C)cc(Cl)c(C)c1C=C	8053
+c1cc2c(ccc(c2)C=C)c(c1OC)[N+]([O-])=O	2847
+c1cc(ccc1-c2oc3c(cc(c(N(c4cc(Cl)c(C=C)cc4)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	2847
+FC(F)(F)c1csc(-c2cc(NC(=O)NCC)ncc2-c3ccc4C(=O)C(=CN(CC)c4c3)C(=O)OCC)n1	391
+c1(c(-c2cc3ccccc3cn2)cc(N)cc1)C	362
+n1c(C)onc1-c2cc(NC(=O)c3cnc4ccc(cn34)-c5c(n[nH]c5C)C)c(C)cc2	1029
+CN(C)c1c(C#N)ccc(Oc2cc3COB(c3cc2)O)n1	2191
+O=S(=O)(C)CC1OB(O)c2cc(ccc12)OC3CCCC3	8054
+CC1(C)C(C)(C)OB(O1)c2ccc(NS(=O)(=O)C)cc2Cl	80
+O=S(=O)(NCc1cc(cnc1)-c2c(Cl)cc3N(C(=O)CCc3c2)C)CC	156
+FC(F)c1c(-c2ncnc(c2)OC)c(c(Cl)cc1)F	379
+Fc1cc(cc(F)c1-c2nc(C(OC)=O)ccc2F)-c3c(noc3C)C	245
+c1c-2c(CCc3nnc(C)n-23)cc(-c4cncc(C)c4OC)c1F	156
+c1(CO)c(c(cnc1)-c2cc3CCC(N(c3cc2F)C)=O)C	156
+Fc1cccc(F)c1-c2nc(cs2)C(OCC)=O	4213
+FC(F)(F)c1cc(-c2ncnc(C(F)(F)F)c2C)c(N)cc1OCCOC	379
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3cnc(N)c(c3)-c4cc5c(cn4)c(F)ccc5Br)cn2	2926
+CC(C)(C)OC(N1CCC(CC1)n2cc(cn2)-c3cc(-c4ncc5c(cccc5)c4F)c(N)nc3)=O	2926
+n1cc(cnc1Cl)-c2c(c(C=O)ccc2)CC	1207
+CC1(C)OB(OC1(C)C)c2c(C)c(ccc2)NC(=O)c3cc4CCCCc4s3	864
+CC1(C)OB(OC1(C)C)c2c(c(ccc2)N)C	0
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)C#Cc4ccc(OC)cc4C	8055
+CC(C)(C)C(=O)Nc1cc(F)ccc1-c2ncccc2	245
+Cc1ncc(N)nc1-c2ccc(Oc3nccc4c3cco4)cc2C	1368
+O=S(=O)(c1cc(c(-c2cc(Cl)ccc2C#N)cc1)OC)CC	99
+O=S(=O)(c1ccc(c(c1)OC)-c2cc(ccc2F)-c3c4c(nnc3)n(cn4)CC)CC	756
+O=S(=O)(c1ccc(-c2cc(ccc2F)Br)c(OC)c1)CC	756
+c1c(C)c(C(Nc2ncc(-c3cc(-c4cnn(C)c4)ccc3Cl)nc2)=O)cnc1	1368
+FC(F)(F)c1cc(C=O)c(-c2c(OC)ccc(CC(OCC)=O)c2)cc1	99
+c1cc(cc(-c2c(C=O)cc([N+]([O-])=O)cc2)c1OC)CC(OCC)=O	99
+c1cc(cc(-c2c(cc(cc2)F)C=O)c1OC)CC(OCC)=O	99
+FC(F)(F)c1cc(C=O)c(-c2c(OC)ccc(c2)CC(=O)OC)cc1	99
+c1cc(F)c2C(OB(O)c2c1OCC)C[N+](=O)[O-]	4388
+CC(C)NC(=O)c1c(c(-c2ccc(N)c(n2)C(=O)OC)c(cc1)F)F	245
+CC1(C)OB(OC1(C)C)c2c(CNc3ccccc3C)cccc2C	608
+n1c(c(cc(c1-c2c(cccc2)F)-c3c(cncc3)Cl)[N+]([O-])=O)N	1420
+FC(F)(F)c1c(cccn1)-c2ccc3n(cc(-c4ccc(c([N+](=O)[O-])c4)C)n3)n2	1633
+c1(ocnc1)-c2cc(ncc2)-c3c(C)ccnc3OC	1797
+CC(C)(C)[Si](C)(C)OC1CCc2c(-c3cnc(-c4cc(c(F)cc4)C#N)s3)cccc12	836
+[N-]=[N+]=NCc1c(-c2c3sc(cc3ccc2)-c4nc(ncc4F)NCCN5CCNC5=O)cc(nc1)F	8056
+c1cc(ccc1)S(=O)(=O)n2cc(c3cc(cnc23)OC)-c4cc(Cl)nc(Cl)c4	8057
+CC1(C)C(C)(C)OB(O1)c2c3ccccc3c(CO)cc2	49
+c12cc(-c3c[nH]nc3)ccc1cncc2	320
+c12n(c(nc(-c3cnn(C)c3)c1)-c4c[nH]nc4)ccn2	4420
+n1cc(-c2cc3OCCc4c(-c3cc2)sc(c4)C(N(c5c(Cl)cccc5)C)=O)c[nH]1	320
+C1CN(CCC1(c2ccc(cc2)Cl)c3ccc(cc3)-c4cn[nH]c4)C	320
+c1cc(ccc1-c2cn[nH]c2)C3(CCNCC3)c4ccc(cc4)Cl	320
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)-c3cn[nH]c3	320
+CC1(C)OB(OC1(C)C)c2cn(nc2)CCCOCc3ccccc3	338
+FC(F)(F)c1[nH]ncc1-c2cc(ncn2)N	2194
+N#Cc1c(c(F)ccc1)-c2cc(ccc2F)-c3cnnc(O)c3	8058
+C1COCCC1Oc2ccc(cc2C#N)-c3ccnc(Cl)n3	379
+CN(C)CCCNc1nc2ccc(cc2cn1)-c3c(ccc(C(NC4CC4)=O)c3)C	99
+C1CC1NC(=O)c2ccc(c(c2)-c3cc4cnnc(N5CC6COC(=O)N6CC5)c4cc3)C	4389
+c1cc(ccc1)-n2nc(C(OCC)=O)cc2NC(c3cc(-c4c(ccc(n4)CC#N)Cl)ccc3Cl)=O	362
+CC1(C)OB(OC1(C)C)c2cc(c(N)c(N)c2)C	0
+c1(cc(-c2c(nc(nc2CC)N)N)ccc1N)C	1207
+FC(F)(F)c1ccnc(Nc2cc(cc(C)c2)-c3cnc(cc3)C=CC(=O)OCC)n1	156
+FC(F)(F)c1cc(c(-c2c(OC)ccc(CC#N)c2)cc1)C=O	99
+CN(C)CCc1cc(-c2n(C)nc(C)c2C)ccc1OC	8059
+FC(F)(F)C(=C)c1cc(Cl)c(c(Cl)c1)C	2192
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)C(F)F)=C	2192
+CCC(NC1CCCc2c(cncc12)-c3cc(Cl)c4N(C(CCc4c3)=O)C)=O	156
+CC1(C)OB(OC1(C)C)c2cc(cc(Cl)c2)OS(=O)(=O)C	444
+c1ccccc1COC(=O)N2C(c3n4ccnc(N)c4c(-c5ccc(C(=O)Nc6ccccn6)c(F)c5)n3)CCC2	1729
+c1(cc(cc(F)c1-c2n(nc(C)c2C(=O)c3ccc(cc3Cl)F)C)O)F	8060
+O=S(=O)(NC1c2cncc(-c3cc(c4c(CCC(=O)N4C)c3)F)c2CCC1)CC	156
+CC1(C)OB(OC1(C)C)c2cc(cc(N)c2C)F	0
+c1cc(ccc1NC(=O)c2cc(c(nc2)N(CCO)C)-c3cc(cnc3)F)OC(F)(F)Cl	907
+c1ncc(cc1-c2cncc(c2N)[N+]([O-])=O)F	907
+CN1C(c2c(cc(-c3cnn(C)c3)cc2)C(c4c(F)ccc(N)c4)=C1)=O	4396
+FC(F)(F)c1cccc(C(=O)Nc2ccnc(-c3cc(N4CCCCC4)ccc3N)c2)c1	362
+CC1(C)OB(OC1(C)C)c2cc(N3CCCCC3)ccc2N	0
+C1CCCCN1c2cc(c(cc2)[N+](=O)[O-])-c3nccc(c3)C=O	362
+C1CCCCN1c2cc(-c3cc(Cl)ncn3)c(cc2)[N+](=O)[O-]	379
+O=S1(=O)N(c2c(ncc(-c3ccnc(NC(=O)C)c3)c2)C)CC(N(C)C)C1	1420
+CC(C)(C)c1cc(OC(C)C)cc(c1)-c2cc(nn2-c3ccc(cc3)C(=O)N)-c4ccc(cc4)C(=O)OC	1016
+OB(O)c1ccc(c(OC(F)F)c1)Cl	1050
+c1cc(ccc1)CN2N=C(c3cc(c(cc3)O)OC)c4c(cccc4)C2=O	8061
+C1C(CC1)Oc2cncc(-c3ccc4c(c3)c5c(cn4)N(C(N5c6cn(nc6C)C)=O)C)c2	391
+c1c(cc(-c2cc(OCC(O)CN3CCc4ccccc4C3)ccc2)c(c1)OC)Cl	99
+c1cc(ccc1OC)-c2cccc(c2)OCC(O)CN3CCc4c(C3)cccc4	99
+c1cc(ccc1)Cn2c3cc(-c4cccc(OCC(O)CN5CCc6c(C5)cccc6)c4)ccc3nc2	492
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4cc(ccc4)OCCCCl	8062
+C1CC1COc2c(C3=CN(C)C(=O)C(=C3)O)cc(S(=O)(=O)CC)cc2	8063
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)F)N	0
+CCOC(c1c(n(C2COCC2)nc1)-c3ccc(cc3[N+]([O-])=O)-c4c(cc(OCC)nc4C)C)=O	156
+c1ccccc1CSc2ccc3c(ncnc3-c4cc(C)c(cc4OC)Br)c2	379
+CC1(C)OB(OC1(C)C)c2ccc(F)c(c2)COc3ncc4c(CC5C(C(OCC)=O)C45)c3	1424
+O=S(=O)(C)c1c(cc(c(c1)F)F)-c2c([N+](=O)[O-])cc(cn2)Br	245
+CC1(C)C(C)(C)OB(O1)c2cc3c(c(C)c2)[nH]c(n3)N	2932
+FC(F)c1c2cn(nc2nc(-c3ccc(c(C#N)c3)N)c1)C	362
+c1cc(ccc1OC)Cc2cc(C(OC)=O)c(O)c(c2C)Cl	8064
+C1CC1c2c(cc(c(O)c2)C(=O)OC)Cc3ccc(cc3)-n4cccn4	8065
+C1CCCC(n2c3c(ccc(-c4c(CC)cc(OC)c(c4)F)c3)cn2)O1	492
+C1CC1COc2ccc(-c3cc(ncc3)Cl)cc2C#N	2336
+OB(O)c1cc(c(cc1)S(=O)(=O)C)F	1050
+FC(F)(F)C(c1c(F)c(Cl)c(c(c1)Cl)F)=C	2192
+c1cc(ccc1N2CCN(CC2)C3COC3)Nc4nc(ncn4)-c5cc(C#N)c(F)cc5	2079
+CC(C)(C)OC(=O)Nc1ccc(-c2cncc(C)n2)cc1Cl	1728
+CC(C)Oc1c(cc(-c2ncc(cn2)Br)cc1)C#N	2520
+CC(C)(O)COc1ccc(B(O)O)cc1OC	1050
+C[Si](C)(C)c1c(cc(cc1)-c2nc(C(OC)=O)c(c(c2F)N)OC)F	362
+O(C(=O)c1cc(-c2ccccn2)c(cc1Cl)Cl)C	245
+O(c1c(ccc(C(Nc2c(F)ccc(c2)C)=O)c1)F)c3cc(-c4[nH]cc(c4)C(=O)OC)ncc3	8066
+c1c(C#N)cc(cc1)-c2ccc3COB(c3c2)O	2191
+c1cc(ccc1)COc2cccc(Oc3ccc4c(c3)B(OC4)O)c2	2191
+O=S(=O)(c1cc(C=2c3c(C(=O)N(C)C=2)cncn3)c(F)cc1)C	8067
+FC(F)(F)c1cccc(CNC(=O)c2cc(-c3cc(ccc3[N+]([O-])=O)F)ncc2)c1	362
+c1ccccc1-c2c3c(NCc4ncccc4)nc(-c5cc(cnc5)-c6ocnc6)nc3ccc2	1323
+O=S(=O)(c1cncc(-c2nc3c(-c4cc5c(o4)cccc5)ccnc3cc2)c1)Nc6ccc(cc6F)F	8068
+N#Cc1cc(ccn1)-c2cc(nc(c2)C(=O)Nc3scc(C)n3)C	8069
+C1CC(CCO1)n2c3ccnc(OC)c3c(n2)-c4cc(sc4)C(=O)OC	4421
+CC(C)(C)n1c2ccnc(c2c(-c3cc(sc3)C(=O)OC)n1)OC	4421
+O=S(=O)(N)c1cccc(-c2cc3c(CCCC3=O)cc2)n1	245
+CC1(C)CCC(C)(C)c2cc(-c3nc(ccc3)N4CCC(CCC4)NCCCCO)ccc12	245
+c1cc(ccc1CCC(=O)O)-c2cc3c(N(C(C)CC3Nc4ncc(cc4)C#N)C(C)=O)cc2	99
+CN1C(c2c(C=C1)cc(cc2)-c3ncccc3)=O	245
+O=C1OCc2cc(ccc12)-c3c(c(c(OCC)cc3)OC)OCOC	99
+c1cc(ccc1CNc2c(Cl)c(c(-c3cc4CS(=O)(=O)N(C)c4cc3)cn2)N5CCC(C(O)C5)C#N)OC	156
+O=S1(=O)Cc2cc(ccc2N1C)-c3c4c(ccc(C(NC)=O)n4)cnc3	4422
+C1CC1NS(=O)(=O)c2ccc(cc2)-c3cc(-c4ccc5c(NCC(C)NC5=O)c4)c(nc3)N	156
+C1CC1NS(=O)(=O)c2ccc(cc2)-c3cc(-c4ccc5c(C(C)(C)CNC5=O)c4)c(N)nc3	156
+Cc1cc(ccc1)CC(N2CCc3c2ccc(-c4c5c(n(CC)n4)ncnc5N)c3)=O	918
+c1cc(ccc1)C(CNC(CO)=O)Nc2cncc(-c3ccc4c(c3)c(F)[nH]n4)c2	156
+FC(F)(F)C1=C(C(N(C(c2cc(-c3ccc4cc([nH]c4c3)C(=O)OCC)ccc2)=C1)Cc5c(cc(cc5)C)C)=O)C#N	803
+O=S(=O)(c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1)N	156
+C[Si](C)(C)CCOCn1c2c(nc1C)cc(-c3cc4c(ncnc4cc3)N5CCCc6ccccc56)cn2	8070
+CC(C)(C)OC(NC1CCCN(c2ccnc3c2cc(cc3)-c4nccc(OCc5ccccc5)n4)C1)=O	261
+c1c2c(cn[nH]2)cc(-c3c(nc(CC)[nH]3)-c4cc(c(cc4)F)C)c1	1715
+c1cc(ccc1-c2c(CC)c(cnc2N)-c3cc4c(cn(C)n4)cc3)O	8071
+c1c(ncc(-c2c(c(Cl)cc(C(C)O)c2OC)C)c1)C#N	391
+O(C)c1c(OC)ccc(-c2nn3c(-c4ccc(C#N)nc4)cnc3s2)c1	2921
+CC(C)(C)OC(NC(c1ccc(-c2nn3c(nnc3cc2)COc4ccnc5cc(OC)ccc45)cc1Cl)C)=O	746
+c1c(ncc(c1)-c2ccc(cn2)C#N)C(=O)OC	1797
+C1CCCCC1NC(C2(CC2)c3ccc(-c4ccc(C(NCC)=O)nc4)cc3F)=O	156
+O=S1(=O)CCC(=CC1)c2cc(C)c(cc2)-c3csc4ccc(CO)cc34	1402
+CC(C)(C)S(=O)(=O)Cc1cc(ccc1Cl)-c2ccc(cc2OCCCOC)CCC(OCC)=O	1049
+Cc1cc(cc(C)c1-c2ccc(F)c(COc3ncc4c(CC5C(C(OCC)=O)C45)c3)c2)OCC6(CCOCC6)F	99
+CN(C)CCn1cc(-c2cc(OC)c(N)cc2)cn1	2029
+c1cc(ccc1)[Si](c2ccccc2)(OCCn3cc(cn3)-c4cc(OC)c(N)cc4)C(C)(C)C	2029
+c12c(CC3C(CNC(C)=O)OC(=O)N13)cc(-c4ccc(nc4)N5C(=O)OCC5)cc2	391
+c1cc(ccc1S(=O)(=O)C)N2CC(c3nnc(C)n3-c4ccc(-c5ccc(O)nc5)cc24)C	391
+O=Cc1cc(-c2ccc(nc2)OCC)ccc1-c3c(ccc(CC(=O)OCC)c3)OC	391
+C(#N)c1ccccc1-c2c(ccc(-c3c4ccc(-c5nccs5)nc4ncc3)c2)F	4390
+C1CCN(C1)c2c(C#N)cc(cc2)-c3nc(Cl)ncc3	379
+O(c1cc(cc(OC)c1)CCc2nc3cc(-c4ccc(N5CCN(CC5)C)c(C#N)c4)[nH]c3nc2)C	8072
+n1cc(-c2cc(Cl)c(cc2)C#N)cc(N)c1	156
+FC(F)(F)c1cc(S(=O)(=O)NC)c(cc1)-c2cc(c(-c3cnc(nc3)N)cc2)F	99
+n1cc(cnc1N)-c2ccc(cc2F)-c3ccccc3Oc4ncc(N)cc4	99
+n1(c(-c2ccc(-c3c(C)cnc(OC)c3C)cc2F)c(cn1)C(=O)OCC)C4COCC4	4423
+c1ccccc1-c2nc(C3CN(CCO3)c4cc(nc(N)n4)-c5cc(c(C#N)cc5)F)[nH]c2	379
+CC(C)(C)OC(=O)NCc1c(F)cc(cc1)-c2cc(Cl)nc(c2)Cl	4423
+n1(ncc2c1cncc2-c3cc(c(N)cc3)F)CCOC	8073
+Cc1c(-c2csc(n2)Nc3c(ccc(-c4n(cnc4)C)c3)OC)sc(C)n1	1715
+c1cc(ccc1-n2cccn2)-c3ccc(cc3)-c4nc5c(NC(=O)C5)cc4Cl	245
+c1cc(ccc1C2(CC2)C(=O)OC)-c3ccc(cc3)-c4cnn(C)c4N	1122
+c1cc(ccc1-c2cnn(C)c2N)-c3ccc(cc3)C4(CC4)C(=O)OCC	1122
+c1cc(ccc1-c2c(cccn2)C(O)CCCc3ccccc3)-c4ccc(cc4)C5(CC5)CC(=O)OCC	245
+c1cc(ccc1-c2ccsc2C(O)CCCc3ccccc3)-c4ccc(cc4)C5(CC5)CC(=O)OCC	1402
+c1cc(ccc1-c2cncc3ccc(NS(=O)(=O)c4ccccc4)cc23)-c5cnn(C)c5	4397
+c1cc(ccc1CNC(=O)c2ccc3c(c(cnc3)-c4ccc(cc4)-c5cnn(C)c5)n2)OC	4422
+c1cc(ccc1-c2nc(Nc3nc(ccc3)C)sc2)-c4cnc(N(C)C)cc4	156
+c1ccccc1-c2nc(nc(-c3ccccc3)n2)-c4ccc(cc4)-c5nc(C)cc(C)n5	2079
+c1cc(ccc1-c2cnc3cnc(cn23)C(N(C)c4ccc(cc4)C#N)=O)-c5oc(nn5)NC	2193
+C1CC(CCN1C(=O)C2CC2)(O)CN3C(c4c(N=C3)n(-c5ccc(cc5)-c6cnc(cc6)N7CCC(C7)O)nc4)=O	156
+c1cc(ccc1-n2c3ncncc3cn2)O	8074
+O=S(=O)(C(CCN1C=C(F)C(c2ccc(cc2)-n3nccn3)=CC1=O)(C)C(OCC)=O)C	4424
+c1cc(ccc1C#N)-c2sc(Nc3cccc(c3)NS(=O)(=O)C)nc2	836
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(Nc3cc(ccn3)C(F)(F)F)=O	330
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(=O)Nc3nccc(C)c3	330
+c1cc(ccc1C(NC2CC2)=O)-c3cnc4c(SC)nc(C(N)=O)cn34	2193
+c1ccccc1COC(N2C(c3n4c(c(ncc4)N)c(n3)-c5ccc(cc5)C(=O)Nc6nccc(C)c6)CCC2)=O	1729
+c1ccccc1COC(N2C(c3n4c(c(ncc4)N)c(n3)-c5ccc(cc5)C(Nc6nccc(CC)c6)=O)CCC2)=O	1729
+c1cc(ccc1-c2c3ccccc3c(nn2)O)C(C)C(=O)OCC	746
+FC(F)(F)C(O)c1ccc(cc1)-c2ccc(cc2)C(C(=O)N)C	99
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)(C)CN	51
+CC(C)(CC1(CCN(C(O1)=O)C(C)c2ccc(cc2)-c3nnc(C)cc3)c4ccccc4)C#N	746
+CC(C)(CC1(CC(N(C(C)c2ccc(cc2)-c3ccc(O)nc3)CC1)=O)c4ccccc4)O	156
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)F)C#N	99
+c1cc(ccc1)C(N2c3c(ncc(-c4ccc(cc4)C(NCCN(C)C)=O)c3)NCC2)=O	1642
+FC(F)(F)c1n2CCC(c3nc(-c4ccc(cc4)C(=O)Nc5cc(ccn5)C(F)(F)F)c6n3ccnc6N)Cc2nn1	1729
+CC(C)(C)OC(=O)NNC(C1(CC1)c2ccc(cc2)-c3ncc(C#N)cc3)=O	362
+C1CC1(C(=O)OC)c2ccc(cc2)-c3ccc(c(OC)c3)-n4nnc(c4NC(OC(C)c5ccccc5)=O)C	99
+c1ccccc1C2C(C2)C(Nc3c(-c4ccc(cc4)-c5ccc(cc5)C6(CC6)C(=O)OCC)onc3C)C	99
+c1cc(ccc1)CCNC(=O)c2c(noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)C	99
+c1cc(ccc1F)C=CC(F)(F)C(O)c2c(C)noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC	99
+c1cc(ccc1C2(CC2)C(=O)OCC)-c3ccc(cc3)-c4onc(C)c4C(CC=C)O	99
+c1ccccc1C(C)CNCc2c(noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)C	99
+c1cc(ccc1C2(CC2)C(=O)OCC)-c3ccc(cc3)-c4c(NC(CCc5c(Cl)cccc5)C)c(no4)C	99
+c1ccccc1COC(Cc2c(C)noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)=O	99
+c1cc(ccc1-c2onc(C)c2C(O)c3cn(nn3)Cc4c(Cl)cccc4F)-c5ccc(cc5)C6(CC6)C(=O)OCC	99
+c1cc(ccc1-c2c(CCO)c(no2)C)-c3ccc(cc3)C4(CC4)C(=O)OCC	99
+c1cc(ccc1C2(CC2)C(OCC)=O)-c3ccc(cc3)Br	756
+c1cc(ccc1-c2ccc(cc2)C3(CC3)CC(OCC)=O)Br	756
+CC(C)(C)OC(=O)NC1(CC1)c2ccc(cc2)-c3c(-c4ccccc4)nc5-c6ccccc6Nc7ncccc7-n35	1715
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(-c4ccccc4)c5c(N=C(SC)N(C)C5=O)o3	8075
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3nc4n(cc3-c5ccccc5)nc6ccc(F)cc46	8076
+c1cc(ccc1C23CCC(CC2)(OC3)CC(OC)=O)-c4ncc(N)cc4	245
+c1cc(ccc1C=2N(C(c3cnn(-c4cc(ccc4)C#N)c3N=2)=O)c5ccc(cc5)Cl)-c6cnc(cc6)N	156
+c1cc(ccc1-c2ccc(cn2)Br)C3CCC(CC3)CC(=O)OC	245
+C1CC(CCC1CC(=O)OC)c2ccc(cc2)-c3cnc(nc3)Nc4cc(ccc4)F	1207
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3ccc(nc3)C#N)=O	156
+c1cc(ccc1C2=NOC(=O)N2)-c3n4c(nc3)ccc(NCCCC)n4	8077
+CC(C)(C)c1onc(NC(=O)Cc2ccc(cc2)-c3cnc(c(F)c3)N)c1	156
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3cc(C)c(cc3)C#N)C(=O)N)=O	99
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)-c4c(F)cncn4)=O	379
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)-c4cc(C)ncn4)=O	379
+c1cc(ccc1CC(=O)O)-c2nccnc2Cl	1728
+c1cc(ccc1CC(OCC)=O)-c2c(C)cc(cc2)-c3onc(C)c3NC(OC(c4c(F)cccc4)C)=O	99
+c1cc(ccc1CC(=O)OCC)-c2nnc(O)c3ccccc23	746
+c1cc(ccc1CCC#N)-c2c3c4c(scc4)c(O)nc3ccc2OC	492
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCC(S(=O)(=O)C)(C(=O)O)C	3
+c1cc(ccc1CCC(C(OCC)=O)(C)S(=O)(=O)C)B(O)O	1050
+c1ccccc1-c2ccc(cc2)CCC(C(=O)NOC3CCCCO3)(S(=O)(=O)C)C	99
+c1cc(ccc1CCN2CCOCC2)-c3cc(S(=O)(=O)n4ccc(C=CC(=O)NOC5OCCCC5)c4)ccc3	99
+c1cc(ccc1CN2CCN(CC2)C)-c3cc4c([nH]c(C)c4-c5csc(N)n5)nc3	156
+c1cc(ccc1Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC)B(O)O	1050
+C[Si](C)(C)CCOCn1nc(c2c1-c3cc(sc3C2)-c4ccc(cc4)F)-c5ccc(cc5)OC	3212
+CC(C)(C)OC(=O)NC1CN(CC1)C(=O)CN(C(C=Cc2ccccc2)=O)c3ccc(cc3)B(O)O	1050
+CC(C)(C)OC(N(c1ccc(cc1)-c2cn3c(nc(-c4cc(ccc4Cl)N)c3)nc2)C)=O	1207
+C1CN(CCN1c2ccc(cc2)-c3cc4c(nc3)[nH]c5cnc(cc45)CO)C	156
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)-c3c4c5c(scc5)c(O)nc4ccc3OC)=O	492
+CC(C)(C)OC(N1C2CC(=CC1CC2)c3ccc(cc3)N4CCN(CC4)S(=O)(=O)C)=O	2924
+C1CN(CCN1)c2ccc(cc2)-c3cccc4c3-c5nc(N)nc(-c6ccc(cc6)F)c5C4=O	1049
+c1(F)cccc(F)c1-n2nc(c3c(nccc23)OC)-c4ccc(cc4)N5CCOCC5	2925
+FC1(F)CCN(CC1)c2nc(C3C(C(=O)OC)CCCC3)c(-c4ccc(cc4)N5CCS(=O)(=O)CC5)s2	836
+c1cc(ccc1-c2ncc3N(C(=O)C4COCCN4c3n2)C5CCc6ccc(Cl)cc56)NC(=O)NC	261
+c1cc(ccc1NC(=O)NC2COC2)-c3nc(c4c(C(C)(C)OC4)n3)N5C(C)COCC5	261
+O=S(=O)(c1ccc(cc1-c2nc(N3C(C)COCC3)nc(-c4ccc(cc4)NC(NCCF)=O)c2)F)C	379
+c1cc(ccc1-c2nc(CO)cc(n2)N3C(C)COCC3)NC(=O)Nc4nocc4	261
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2nc(N3CCOCC3C)cc(n2)CS(=O)(=O)c4ccccc4	261
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2c(c3c(ncc(Cl)c3)[nH]2)-c4cncnc4	4425
+FC(F)(F)Oc1ccc(cc1)-n2nc(nc2)-c3ccc(cc3)NC(OC4C(C(OCC)C(C(O4)C)OC)OC)=O	8078
+c1ccccc1N2C(=O)C(=C(N2CC(C)(C)O)C)C(Nc3ccc(cc3)-c4cccc5c(nccc45)NCCN(C)C)=O	99
+C1CC1NC(Nc2ccc(cc2)-c3nc(CN(C)C)cc(N4C5COCC4CC5)n3)=O	261
+c1cc(ccc1-c2nccc(N3CCOCC3C)n2)NC(NCCO)=O	261
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3cnc(C#N)c(n3)Cl	1728
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3nc(Cl)c(nc3)C(=O)C	1728
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCC(OCC)=O	52
+c1cc(ccc1-c2ccc3c(c(ccc3)C(=O)OC)c2)O	1049
+c1cc(ccc1O)-c2cc3cnc(C(OC)=O)cc3cc2	1049
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3cccc(F)c3	472
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCc3c(onc3-c4c(cccc4Cl)Cl)C(C)C	1411
+c1cc(ccc1-c2nc(c3cccc(C#N)c3c2)O)O	362
+c1cc(ccc1O)-c2ccc3c(ccnc3c2)C(=O)OC	492
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCc3c(oc(C(=O)OC)c3)C	20
+c1cc(ccc1-c2ccc(OC)cc2[N+](=O)[O-])OC	99
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCO	44
+C1CC(CCC1OC2OCCCC2)COc3ccc(cc3)C4=CC(N(CCC(C)(S(=O)(=O)C)C(OCC)=O)C=C4F)=O	4424
+c1cc(ccc1OCCN2CCN(CC2)C)-c3cccc(S(=O)(=O)n4ccc(C=CC(=O)NOC5OCCCC5)c4)c3	99
+c1cc(ccc1-c2cc(c(N)nc2)OCc3c(Cl)cccc3Cl)OCCN4CCOCC4	156
+c1cc(ccc1-c2ccc(cc2CC)C(=O)O)OCCNC(C(O)c3ccc(cc3)O)C	99
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCOS(=O)(=O)C	7
+c1cc(ccc1-c2cncc(c2Nc3ccc4c(c3C)cc[nH]4)C#N)OCCOC	1642
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCNC(C(O)c3ccc(cc3)O)C	285
+n1cccnc1-c2ccc(cc2)OCc3c(oc(C(=O)OC)c3)C	8079
+c1cc(ccc1OCc2c(C(C)C)onc2-c3c(cccc3Cl)Cl)-c4ccc5nc(C)c(cc5c4)C(OCC)=O	99
+c1cc(ccc1OCc2ccccc2)C3=C(OC(C)(C)C3=O)c4ccc(cc4)C#N	8080
+FC(F)(F)c1cc(ccc1C#N)Oc2ccc(cc2)-c3nc(cc(C=C)n3)C(O)=O	261
+c1cc(ccc1F)Oc2ccc(cc2)-c3cc(cc(n3)NC(C)C(OC)=O)Cl	362
+c1cc(ccc1Oc2ccc(cc2)-c3nc(cc(N(S(=O)(=O)C)CC4COC(C)(C)O4)n3)C(=O)N)F	261
+C1C(C(CN1c2cc(nc(-c3ccc(cc3)Oc4ccc(cc4)F)n2)C(N)=O)O)O	261
+c1cc(ccc1Oc2ccc(cc2)-c3nc(C(=O)N)cc(n3)NCC(O)C(N)=O)F	261
+c1cc(ccc1-c2ncccc2)Oc3n(c4C(N(C(N(C)c4n3)=O)C)=O)Cc5cccc(OC)c5	245
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(O)(O)=O	1560
+c1cc(ccc1-c2[nH]c3c(cc(cn3)NC(=O)c4c(C)c(C)[nH]n4)c2)P(C)(C)=O	4425
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(=O)(O)OC	1560
+c1cc(ccc1S(=O)(=O)C2CCOCC2)-c3nc(c(nc3)N)C#Cc4cccc(c4)O	1368
+c1cc(ccc1S(=O)(=O)N)-c2nn(C3CCOCC3)c4ccnc(OC)c24	2925
+c1cc(ccc1-c2cn(C(COC)CC)c3ccnc(c23)OC)S(=O)(=O)N	8081
+c1cc(ccc1-c2cc3c(c(ncn3)Nc4cc(CC(=O)Nc5cccc(c5)F)[nH]n4)cc2)S(=O)(=O)N6CCC(F)C6	492
+C1CC1NS(=O)(=O)c2ccc(cc2)-c3cnc(N)cc3	156
+FC(F)(F)C(C)(O)c1cnc(nc1)-c2ccc(cc2)S(=O)(=O)c3ccc(N)nc3	261
+CC(C)(C)Sc1ccc(cc1)-c2c(OC)cc(-c3cc(ccc3OC)OC)c(OC)c2	99
+FC(F)(F)c1cccc(NC(c2cc(c(c(I)c2)C)-c3ccc(cc3)[N+](=O)[O-])=O)c1	4394
+C1C(CC1=O)(c2ccc(cc2)OCc3cc4c(-c5ccc(OCCOCC)cc5C)csc4cc3)CC(OCC)=O	1402
+n1ccc(-c2cnc(cc2)F)cc1NC(NCC)=O	4372
+n1cc(-c2cn3cc(OC)ccc3n2)ccc1F	8082
+C1CC(CCC1C(OCC)=O)Oc2ccc(cn2)-c3ncc(N)cc3	1797
+CC(C)(C)OC(=O)N1CCc2c(cc(cc2)-c3c(cccn3)OCc4cc(C)ccn4)CC1	245
+CC(C)(C)OC(N1CCc2cc(-c3c(C#N)c(F)ccc3)ccc12)=O	756
+c1cc(ccc1)-c2nc(-c3ccc4N(CCc4c3)C)c(C(CCC)C(=O)OC)c(C)n2	379
+Clc1ccc(c(Cl)c1)CCNc2nc(nc(-c3cc4CC(N(C)c4cc3)C(OCC)=O)c2)OC	379
+n1cc(c2CCCC(c2c1)N)-c3cc4CCC(N(c4cc3)C)=O	156
+n1cc(c2CCCC(O)c2c1)-c3cc4CCC(N(c4cc3)C)=O	156
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cncc(c3)NC(Cc4ccccc4)=O	156
+c1(Cl)cccc(Cl)c1COc2cc(-c3ccc4c(c3)cc(C(=O)OCC)[nH]4)cnc2N	156
+c1cc(ccc1N2C(=NNC2=O)CC3CCN(C3)C(=O)C4CC4)-c5ccc6occc6c5	99
+O=S(=O)(C)Cc1nc(-c2cc3c(n(S(=O)(=O)c4ccc(cc4)C)nc3C)cc2)nc(N5CCOCC5)c1	261
+c1cc(ccc1)-n2c3c(ccc(c3)-c4cc5c(oc(-c6ccc(cc6)F)c5C(NC)=O)cc4N7CCCC7=O)nc2	803
+c1n(c2c(cc(cn2)-c3ccoc3)n1)-c4cccc(-c5c(scc5)C#N)c4	1402
+c1c(F)c(c(cc1)F)N2C(C=Cc3c2nc(NCCCN(CC)CC)nc3-c4cccc(C(O)=O)c4)=O	379
+FC(F)(F)c1cc(-c2nc(CN3CCC(F)(F)CC3)c4ccccn24)ccc1	8083
+c1cnccc1-c2c(cn(CC)n2)-c3cccc(N)c3	1122
+c1(n(nc(c1)NC2=CC(c3cccc(c3COC(=O)C)N4CCc5c6c(sc5C4=O)CCCC6)=CN(C)C2=O)C)COC	4426
+CC1(C)C(C)(C)OB(O1)c2cccc(c2C)N3C(C=C4C(Cl)=CC=CN4C3=O)=O	8084
+CC1(C)OB(OC1(C)C)c2c(CC)c(OCCCC(=O)OCC)ccc2	8
+CC(C)c1cccc(C(C)C)c1-n2c3ccccc3nc2-c4cc(-c5ccc6oc7cccc(OC)c7c6n5)ccc4	1592
+FC(F)(F)COCc1cccc(-c2n(nc(N)c2)-c3ccccc3)c1	1016
+FC(F)(F)COCc1cccc(c1)-c2cc(N)nn2-c3ccc(cc3)F	1016
+C1CN(CCC1=O)c2cccc(-c3ccnc(Cl)n3)c2	379
+c1cc(ccc1-c2cccc(c2)NC)CC(OCc3ccccc3)C(=O)OC	99
+O=S(=O)(c1ccc(cc1)C)Nc2cccc(-c3nn4c(nc(c4)NC(C)=O)cc3)c2	746
+c1(cccc(F)c1N2C(=O)C=Cc3c2nc(nc3-c4c(C)c(C(=O)O)ccc4)NCCCN(CC)CC)F	379
+CC(C)(C)c1ccc(cc1)C(Nc2c(c(ccc2)C=3N=C(Nc4ccc(cc4)CCO)C(N(C=3)C)=O)C)=O	8085
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2C)C3=CN(C(=O)C(=C3)Nc4ccc(cc4)C(OCC)=O)C	4426
+FC(F)(F)C1(Cc2cc(-c3cccc(c3F)[N+]([O-])=O)ccc2O1)c4cc(Cl)cc(Cl)c4	756
+Clc1cccc(c1)-c2c3c([nH]cc3)ccc2	803
+c1cc(F)cc(-c2c3c([nH]cc3)ccc2)c1	803
+c12c(N)cc(-c3c4cc[nH]c4ccc3)cc1n[nH]c2	4427
+c1cc(ccc1Cl)-c2cccc3[nH]ccc23	803
+c1cc(ccc1-c2c3cc[nH]c3ccc2)F	803
+c1cc(ccc1S(=O)(=O)n2ncc3c2cc(-c4c5c(ccc4)[nH]cc5)cc3-c6oc(CN7CCOCC7)nn6)C	4427
+COc1c(c(c(Cl)cc1C(C)O)C)-c2cc(C#N)ncc2	1802
+O=S(=O)(N1CCN(CC1)Cc2cc3c(o2)C(c4cc(ncc4)NC(c5ccccc5)C)=CN(C)C3=O)C	2710
+FC(F)(F)c1ccc(cc1)-c2cnc3ccc(-c4n(ncc4)-c5ccc(cc5)Cl)cn23	2928
+FC(F)(F)C1(c2c(-c3c(-c4cnn(C(C)(C)C(OCC)=O)c4)cc(cc13)OCC(C)O)cccc2)O	8086
+c1cc(ccc1)COC(=O)N2CC(CC2)Cn3c4c(cc3)cc(-c5cnn(C6CCCCO6)c5)cc4	320
+c1cc(ccc1C)S(=O)(=O)n2ccc3nc(-c4cn(nc4)C5CCCCO5)ccc23	4428
+c1cc(ccc1)COCC(F)(F)Cn2cc(cn2)-c3ccc(N)c(C(=O)NC)n3	1864
+c12cnc(-c3cnn(c3)CCC4CCCCN4C)cc1c5cc(cnc5[nH]2)OC	2933
+c1cc(ccc1C)S(=O)(=O)n2c3ncc(F)cc3c(-c4nc(c(cn4)F)SC)c2	1344
+CC(C)(C)OC(n1ncc(C=2c3cc(OC)c(cc3C(N(CC)C=2)=O)OC)c1)=O	8087
+CC(C)(C)OC(n1ncc(c1)-c2cccc(C(=O)OC)n2)=O	1864
+CC(C)(C)OC(=O)n1cc(-c2ccc3c(CCC(C)N3C(C4CC4)=O)c2Oc5ccccc5)cn1	320
+CC(C)(C)OC(N1CC(C1)(CCF)n2cc(cn2)-c3nc(-c4cnn(C)c4)cc5nccn35)=O	4420
+CC(C)(Cn1cc(-c2cn3ncc(c(c3c2)NC4CN(c5ccc(cn5)C#N)CC4C)C(=O)N)cn1)O	8088
+c1cc(ccn1)Cn2ncnc2-c3sc4CCOc5c(-c4n3)ccc(c5)-c6cn(nc6)CC(C)(C)O	320
+CC(C)(Cn1cc(-c2ccnc(Cl)n2)cn1)O	2194
+C(C)N(CC)C(=O)c1cc(ccc1N)-c2cn(CCCO)nc2	320
+CC1(C)OB(OC1(C)C)c2cn(nc2)CCCO	118
+c1nc(C)c(cc1-c2cc3c(cc2)ncc4N(C)C(=O)N(c34)c5cn(C)nc5C)N(CC)C	391
+ClC(Cl)C(NC(C(O)c1ccc(cc1)-c2ccc(CCC#N)nc2)CF)=O	4429
+FC(F)Oc1cccc(c1)S(=O)(=O)Nc2c(ncc(c2)-c3nn4c(nc(c4)NC(C)=O)cc3)Cl	1633
+C1CN(CCN1C)c2ncc(-c3cnc4NCCN(c4c3)S(=O)(=O)c5c(cccc5)Cl)cc2	2711
+CC(C)c1onc(N2CCN(CC2)c3ncc(-c4ccc(N5C(N(C)N=C5)=O)c(c4)F)cc3C#N)n1	391
+c1cc(ccc1C2CCC(c3ccc(cc3)[N+]([O-])=O)N2c4ccc(cc4)-c5ccc(N6CCOCC6)nc5)[N+]([O-])=O	391
+CC1(C)OB(OC1(C)C)C=2C=CC(N(C)C=2)=O	8089
+O=S(=O)(c1nc(cc(n1)-c2cnc(N)c(Cc3ccccn3)c2)N4C5CC(C4)OC5)C	2788
+Cn1nnc(n1)-c2ncc(-c3cc4c(cc3)N5C(C4)C(CNC(C)=O)OC5=O)cc2	391
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(-c3cnc(nc3)N)cn2	3905
+CC(C)(C)OC(N1CCN(CC1)c2ncc(-c3nc(OC(C4CNC(=O)C4)C)c5c(c3)ncn5C)cc2)=O	4401
+O(c1ccnc(-c2oc(nc2)C)c1)c3cnc(cc3)[N+]([O-])=O	8090
+CN(C)C(Cc1cc(cnc1)-c2cnc3N(C(=O)N)CCCc3c2)=O	907
+C1CCCC(n2cc(-c3nc(SC)ncc3)c(-c4cc5cc[nH]c5nc4)n2)O1	8091
+c1(C(NCC)=O)ncc(-c2cc3cc[nH]c3nc2)cc1	907
+CC1(C)OCC(CO1)c2cc(cnc2)-c3nc4cccc(-c5ccccc5)c4c(NCc6ncccc6)n3	1323
+O=S(=O)(c1ccccc1)Nc2cncc(-c3ccc4c(c(Oc5cnccc5)ncn4)n3)c2	3718
+O=S(=O)(c1cc(cnc1)-c2c(c(C(=O)C)cc(Cl)c2F)O)C	4429
+CC(C)(C)NS(=O)(=O)c1cncc(-c2c3c(c(ccc3)-c4ccccc4)c(Cl)nn2)c1	1633
+CC(C)(C)OC(=O)N1CCC(CC1)(Cn2cc(cn2)-c3cnc(c(OC(C)c4c(ccc(F)c4Cl)Cl)c3)N)O	8092
+CC(C)(C)OC(=O)NCCCCCn1ncc(-c2ncc3[nH]c4ncc(OC)cc4c3c2)c1	2933
+n1n(cc(-c2cc3c(cc2)N(C(C)CC3N)C(=O)C)c1)CCOC	320
+c1ccccc1COC(=O)NC2c3cc(-c4cn(nc4)CCOC)ccc3N(C(=O)C)C(C2C)C5CC5	320
+O=S(=O)(C1CC1)n2cc(cn2)-c3nc(N)ccn3	8093
+CN(C)CCNC(=O)Cn1cc(-c2ncc3[nH]c4ncc(OC)cc4c3c2)cn1	2933
+CC1(C)OB(OC1(C)C)c2cnn(c2)CC(=O)NCCN(C)C	271
+C1C(CC1)(Cn2ncc(c2)-c3nc4c(cc3)cnc(c4)Br)O	4428
+c1(C)c(n(C)nc1)-c2cc(C(=O)OC)sc2Cl	1730
+c1cc(ccc1)-n2c(C=3C(=O)C(OC)=CN(Cc4ccccc4)N=3)ccn2	8094
+CC1(C)Cc2ccc(cc2B(O)O1)[N+](=O)[O-]	8095
+CC1(C)c2c(cc(cc2)C=O)B(O)O1	2196
+CC1(C)OC(C(O1)=O)=CC(=O)N(OC)Cc2cc(c(cc2)C)F	2934
+CC1(C)OC(C(O1)=O)=CC(=O)N(OC)Cc2cc(F)ccc2	2934
+c1cc(ccc1F)CN(C(C=C2OC(C)(C)OC2=O)=O)OC	2934
+c1cc(c2nccc(c2c1OC)O)Br	2197
+C(C(CCCCCCCCC)=O)C(=O)OCC	8096
+c12cc(OC)cc(OC)c1c(O)ccn2	2197
+c1cc(ccc1)Oc2c3ccc(OC)cc3ncc2	8097
+c1ccccc1COc2cc3nccc(O)c3cc2	2197
+c1[nH]c2c(c1CCC(OCC)=O)c(C)c(cc2)[N+]([O-])=O	2198
+CC1(C)OC(=O)Nc2c1cc(-c3n(c(cc3)C#N)CC(NCCc4ccc(OC)c(OCC)c4)=O)cc2	9
+CC1(C)OC(=S)Nc2ccc(cc12)Br	4430
+O=S(=O)(C)ON=C(C1C(C)(C)OC(C)(C)O1)Cl	8098
+c1cc(ccc1C(=O)NCC(O)C2COC(C)(C)O2)S(=O)(=O)Nc3c(F)cc(cc3F)F	14
+O=C(C(CC(=O)N(Cc1cccc(F)c1)OC)=O)OC	2935
+C1CC1c2ccc(Br)cc2C3OC34C(=O)C(C)(C)OC4(C)C	3778
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(-c3ccc(cc3Cl)Cl)ccc2C4CC4	3781
+c1c(C)nn(CC(c2c(O)cc(nc2C)C)=O)c1C	8099
+CC(C)(c1ccc(cc1)O)c2ccc(cc2)OCC3OC(C)(C)OC3	72
+CC1(C)OCC(Cn2c(COCC)nc3cnc4cc(Br)ccc4c23)O1	546
+CC1(C)OCC(CCOc2c([N+](=O)[O-])c(Nc3ccc(I)cc3F)cc(F)c2)O1	57
+CC1(C)OC(CO1)CN2C=C(C(c3c2sc(c3)CCl)=O)C(NCc4ccc(cc4)Cl)=O	1732
+CC1(C)OC(CO1)CN2c3c(C(C(C(NCc4ccc(cc4)Cl)=O)=C2)=O)cc(CN(CC(c5ncccc5)O)C)s3	822
+c1cc(ccc1Cl)CNC(=O)C2=CN(c3c(C2=O)cc(CN(CC(c4ncccc4)O)C)s3)CC(O)CO	265
+CC1(C)OC(CNc2c(cnc3cc(ccc23)Br)N)CO1	13
+c1c(I)cc(c(Nc2c(c3c(ocn3)cc2C(NOCC(CO)O)=O)F)c1)F	265
+c1c(I)cc(c(Nc2c(F)c3nnsc3cc2C(NOCC(CO)O)=O)c1)F	265
+c1cc(c(F)c(Nc2ccc(I)cc2F)c1C(=O)NOCC(CO)O)F	265
+C(c1c(cccc1)OC)C(CO)O	265
+CC1(C)OC(Cn2c(C)c(I)cn2)CO1	8100
+CC(C)CC(C(Nc1nn(cc1)CC(CO)O)=O)N2CC(=CC2=O)Oc3cccc4c3cccc4	265
+CC1(C)OC(COc2ccn3c(ncc3C(OCC)=O)c2)CO1	2936
+c1ccc(c2c(C)nn(Cc3cccc(C)n3)c12)NC(c4cnc5cc(ccn45)OCC(CO)O)=O	265
+CC1(C)OC(COc2cc3ncc(C(Nc4c5c(ccc4)n(nc5C)Cc6cccc(C)n6)=O)n3cc2)CO1	466
+CC1(C)OC(COc2ccn3c(c2)ncc3C(=O)O)CO1	6
+c1cc(ccc1)Cc2cnc(nc2)N3CCN(CC3)c4nc(ncn4)Nc5cnn(c5)CC6COC(C)(C)O6	4170
+CC1(C)OC(Cn2ncc(N)c2)CO1	209
+c1ccccc1C2C(C)(C)OC(N2c3ccc(cc3)N4C(C=CC(c5ncccn5)=C4)=O)=O	8101
+CC1(C)c2c(ccc(-c3cc(cc(C#N)c3)F)c2)NC(O1)=O	160
+CC(C)(CCCC1(C(C1)CO)C)O	3636
+FC(F)(F)c1c(ccc(NC(NCCCN(CC2C3C(C(n4c5ncnc(c5nc4)N)O2)OC(C)(C)O3)C(C)C)=O)c1)Cl	282
+CC1(C)OC2C(C(OC2CN(C(C)C)CCCN)n3c4ncnc(c4nc3)N)O1	45
+CC1(C)OC2C(C(n3cnc4c(N)ncnc34)OC2CN(C)CCC(C)(C)N)O1	102
+CC1(C)N(C2C(O1)CCCC2)c3sc4c(n3)ccc(CN)c4	107
+CC1(C)OC2CCCCC2N1c3nc4ccc(cc4s3)CNc5c(c(Cl)ncn5)N	193
+CC1(C)OC2CCCCC2N1c3nc4ccc(CNc5ncncc5N)cc4s3	511
+c1(F)cc(cc(F)c1C2=CCN(CC2)C(=O)C3OC(C)(C)OC3)N4CC(OC4=O)COC(C)=O	2046
+CC(C)CC1N(C(c2cc(-c3ccc(cc3)Cl)c(Cl)nc2)=O)C(C)(C)OC1	89
+CC1(C)OCC(CCN)O1	18
+CC1(C)CNC(CO1)CCO	25
+c1ccccc1-c2cccc3nc(-c4cncc(C(CO)CO)c4)nc(NCc5ncccc5)c23	1192
+OCC(CO)c1ccc(cc1)Oc2ncnc(c2C)OC3CCN(CC3)c4ncccn4	1192
+CC1(C)OCC(COCCCN)O1	51
+c1cc(ccc1Br)OCc2csc3c(cnc(N)c23)C(NCCCOCC4COC(C)(C)O4)=O	8102
+FC(F)(F)c1c(cccc1)-c2nc3c(cccc3C(=O)Nc4cccc(c4)OCC5COC(C)(C)O5)[nH]2	246
+N1c2cc(c(OC)cc2CCC1=O)CC(CO)O	265
+CC1(C)OC(Cn2c3c4c(cc(Br)cc4)nc(N)c3nc2COCC)CO1	461
+CC(C)(CO)c1n(c2cc(F)c(cc2c1)NC(=O)C3(CC3)c4cc5OC(F)(F)Oc5cc4)CC6OC(C)(C)OC6	33
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC4OC(C)(C)OC4)n3	142
+O=S(=O)(OCCCC1OC(C)(C)OC1)C	7
+CC1(C)OC(CO1)CONC(=O)c2cc3snnc3c(F)c2Nc4c(F)cc(I)cc4	514
+CC1(C)OC(CO1)CONC(=O)c2c(Nc3c(F)cc(I)cc3)c(c4c(ocn4)c2)F	514
+CC1(C)OC(CO1)CONC(=O)C2=C3CCCN3C(=O)C(Cl)=C2Nc4ccc(cc4F)I	8103
+CC1(C)OC(CO1)CONC(c2c(c(F)c(F)cc2)Nc3c(F)cc(I)cc3)=O	514
+CC1(C)OCC(COc2cccc(c2)N)O1	0
+CC1(C)OCC(Cn2c3cc(F)c(cc3cc2C(C)(C)CO)N)O1	0
+CC1(C)OCC(Cn2ccc(N)n2)O1	161
+CC1(C)COC(CO1)CNc2nc(ccc2F)F	182
+FC(F)(F)c1cccc2C(N(Cc12)C(CC3CCCC3)C(=O)Nc4cnc(C5OC(C)(C)OC5)cn4)=O	1018
+FC(F)(F)c1cccc2c1CN(C(CCSC)C(=O)Nc3ncc(C4OC(C)(C)OC4)nc3)C2=O	1018
+CC1(C)OCCC(C=O)C1	24
+CC1(C)OCCC(CNc2cc(c(nc2)Cl)Br)C1	839
+CC1(C)CC(CNc2cnc(c(-c3cc(ncc3Cl)F)c2)Cl)CCO1	3218
+CC1(C)C=2N(C(C(OCc3ccccc3)=C(C(=O)OCC)N=2)=O)CCO1	3850
+c1ccccc1COc2c3c(COC(C)(C)O3)cc(F)c2	22
+C1CCN(C1)c2nc3sc4c(c3c5c2COC(C)(C)C5)ncnc4O	8104
+O=S(=O)(OCCOCCCCCCN1CC(OC1=O)c2cc3c(cc2)OC(C)(C)OC3)C	7
+Clc1cccc(Cl)c1COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4	149
+c1cc(ccc1Br)COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4	149
+CC1(C)Oc2cccc(CCOS(=O)(=O)C)c2CO1	7
+CC1(C)OCc2c(nc(nc12)Cl)N3CCOCC3C	54
+CC1(C)Oc2c(CO1)cc(C(CNCCCCCCOCCCCc3cc(ccc3)NC(=O)Nc4ccccc4)O)cc2	132
+CC1(C)ON=C(c2cnc(SC)c(Cl)c2)C1	1272
+CC1(C)C=C(C(C)C)c2cc(C(=O)C)c(OCC)cc2O1	116
+CC1(C)CC(c2c(cc(cc2O1)C(C)(C)CCCCCC)OCc3ccccc3)C(=O)O	4431
+c1cc(ccc1C#Cc2ccc(cc2)C(=O)N(Cc3cc4C(OC(C)(C)Oc4cc3)=O)CCCCCC)CCCC	30
+CC1(C)Cc2c(O1)c(C(OCC)=O)cc(N)c2	0
+CC1(C)Cc2c(c(C)c(C)c(N3CCN(CC3)c4ccc(cc4)SC)c2C)O1	79
+CC1(C)Oc2c(c(c3oc(CC)cc3c2)CCl)C1	8105
+c1c(OC)c(c(cc1CC(c2ccc3OC(C)(C)C=Cc3c2)=O)OC)OCc4ccccc4	8106
+CC1(C)C=Cc2cc(OC)c([N+](=O)[O-])cc2O1	77
+CC1(C)C(C)=Cc2cc(Sc3cccc(c3)OC)ccc2O1	1336
+CC1(C)Oc2c(cc(cc2)F)CC1CCO	44
+CC1(C)Cc2c(c(C)c(c(Cl)c2O1)C=O)C	582
+CC1(C)Oc2c(ccc(Cl)c2C1)N=C=O	1044
+CC1(C)C(c2c(c(ccc2Cl)N=C=O)O1)=S	1044
+CC1(C)Oc2c(NC1)cc(c(F)c2)Br	15
+CC1(C)Oc2c(O1)ccc(c2)CN	817
+CC1(C)Cc2cc(C=C(C)C)cc(c2O1)OC	8107
+FC(F)(F)c1ccc(cc1)C(O)c2c(c3C(CC(C)(C)Oc3cc2C(C)C)=O)C4=CCCCC4	704
+C1CN(CCC1C(=O)OCC)CCc2c(c(ccc2)O)CO	2937
+CC1(C)Oc2cc(cc(c2C=3CN(C(OC)=N)CCC1=3)OC)C(C)C(C)CCCCC	2641
+FC(F)(F)c1cccc(C2(CC2)NC(=O)c3c4OC(C)(C)Cc4c5c(nc(Nc6c(cccc6C)Cl)[nH]5)c3)c1	14
+FC(F)(F)c1ccc(NC(c2c3c(c4c(c2)[nH]c(n4)Nc5c(cccc5Cl)C)CC(C)(C)O3)=O)nc1	8108
+CC1(C)Cc2cc(cc(C(O)=O)c2O1)-n3nnnc3	6
+CC1(C)Cc2c(ccc(C3=C(CC)N=C(CCC)N(Cc4ccc(cc4)-c5c(C#N)cccc5)C3=O)c2)O1	1100
+CN(C)C=1N(c2ccc3OC(C)(C)Cc3c2)C(C(Cc4ccc(cc4)-c5ccccc5C#N)=C(N=1)CCC)=O	8109
+C[Si](C)(C)C#Cc1cc2C(C)(C)CC(C)(C)Oc2c(C=O)c1	263
+c1cc(ccc1CN(C)C2CCOCC2)NC(C3=Cc4c(S(=O)(=O)CC3)ccc(c4)-c5ccc6OC(C)(C)CCc6c5)=O	750
+CC1(C)Oc2cc(c(Br)cc2C(=O)C1)OCC	116
+CC1(C)Oc2c(cc(cc2)F)CC1CCOS(=O)(=O)c3ccc(cc3)C	36
+CC1(C)Oc2ccc(F)cc2CC1CCN=[N+]=[N-]	254
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c3c(CC(C)(C)O3)c(cc2)Cl	8110
+CC1(C)Oc2c(C(OCC)=O)cc([N+]([O-])=O)cc2C1	31
+CC1(C)Oc2c(cccc2N)C1=S	0
+CC1(C)Oc2c(N)ccc(c2C1=S)Cl	196
+CC1(C)Oc2c(c(cc(c2)C(C)C(C)CCCCC)OC)C=3CN(C#N)CCC1=3	65
+CC1(C)CC(=O)c2cc(c(c(c2O1)Cl)OCC)Br	662
+CC1(C)OC(=O)c2ccc(cc2O1)Oc3c(cc(cc3)C=O)F	46
+CC1(C)Oc2c(O1)ccc(C=NO)c2	135
+CC1(C)Oc2ccc(F)cc2CC1CCN	18
+c1cc(ccc1C#Cc2ccc(cc2)OC)CNc3ccc4OC(C)(C)OC(=O)c4c3	208
+CC1(C)C(c2ccc(Br)cc2S1(=O)=O)O	74
+CC1(C)c2c(cc(C(C)=O)c(c2Br)OC)CCC1	65
+CC1(C)C(CC=CC)C(=O)c2c1ccc(CC)c2	4432
+CC1(C)c2c(C(C1)N)cccc2	474
+CC1(C)c2ccc([N+](=O)[O-])cc2C(=O)C1	77
+CC1(C)c2cccc(c2C(=O)N1C)N	0
+CC1(C)c2cc(C)cc(OC)c2C(C)(C)CC1	297
+CC1(C)CC(CC)C(C)(C)c2cc(C)c(C(C)=O)cc12	94
+CC1(C)c2c(C(C1)NS(=O)(=O)C)cccc2	111
+C1N(CC1Nc2cncc(N3C(c4c(cc(cc4)Cl)C3(C)C)=O)c2)C(C)=O	58
+CC1(C)CCc2c1cc(c(OC)c2)C=O	151
+CC1(C)c2c(S(=O)(=O)CC1)c(cc(c2Cl)C(C)=O)Cl	902
+CC1(C)CCSc2c(cc(c(Cl)c12)C(C)=O)C	94
+CC1(C)c2c(N(CC)C1=O)cc(c(c2)N)N	0
+CC(C)n1c(N)nc2cc3N(CCCCC)C(C(C)(C)c3cc12)=O	4039
+CCc1cccc(CC)c1NC(N2Cc3c(-c4nc5cc6C(C)(C)C(=O)N(c6cc5[nH]4)CC)[nH]nc3C2)=O	4200
+CC1(C)C(=O)N(c2cc3[nH]c(nc3cc12)N)CC	2932
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4[nH]nc5c4cc(C(=O)O)cc5)[nH]3)CC	567
+CC1(C)c2c(N(CC)C1=O)cc(c(c2)N)N	0
+CC1(C)C(=Nc2c1cc(cc2)O)C	477
+c1ccccc1S(=O)(=O)Nc2cc(C3CC(C)(C)c4c(N3)ccc(Cl)c4)ccc2	69
+CC1(C)CNc2cc(cnc12)Br	15
+CC1(C)CNc2c1cnc(c2)Cl	15
+c1ccccc1COC(NC(C(N2c3c(cccc3)C(C)(C)C2C(NCCCC)=O)=O)CC)=O	8111
+C[Si](C)(C)C#Cc1ccc2c(C(C)(C)CC(O2)=O)c1	263
+CC1(C)CCS(=O)(=O)c2c1c(c(cc2Cl)C(=O)O)Cl	2199
+CC1(C)c2c(c(cc(c2)N)C)NC(C1)=O	0
+CC1(C)c2c(CO1)c(nc(-c3ccc(cc3)Br)n2)Cl	64
+C[Si](C)(C)C#Cc1cc2C(C)(C)CCC(=O)c2c(c1)O	263
+CC1(C)CC=C(C(C)C)c2c1cc(C)c(Br)c2	252
+O=S(=O)(OCCN1C(c2cc(Br)sc2C1(C)C)=O)C	7
+c1cc(ccc1C(F)(F)C(OCC)=O)NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C	4433
+CC1(C)c2c(Br)c(OC)c(C(C)O)cc2CCC1	74
+CC1(C)c2ccc(CN)cc2B(O)O1	817
+CC1(C)OB(O)c2c1cc(c(F)c2)C=O	2196
+CC1(C)CCc2cc(c(cc12)F)O	5
+CC1(C)c2cc3c(cc2C(C)(C)C1(C)C)[nH]cn3	8112
+c1cc(ccc1NC(c2ccc3c(c2)C(C)(C)CCC3(C)C)=O)C(Nc4c(N)cccc4)=O	67
+CC1(C)c2c(cc(cc2)C(=O)Nc3ccc(cc3)C(O)=O)C(C)(C)CC1	1
+CC1(C)c2c(cc(C=NO)cc2)B(O)O1	135
+CC1(C)C(N(C)c2cc(ccc12)OC)=O	239
+CC1(C)c2c(cc3[nH]c(SCc4ccccn4)nc3c2)C(C)(C)CC1	602
+CC1(C)c2c(ccc(-c3cc(cc(C#N)c3)F)c2)NC(=S)O1	4430
+CC1(C)COc2ccc(cc12)C=O	146
+FC(F)(F)C1(CC(=NO1)c2ccc3c(C(C)(C)OB3O)c2)c4c(c(c(c(c4)Cl)F)Cl)F	1423
+FC(F)(F)C1(c2c(c(Cl)c(c(Cl)c2)Cl)Cl)CC(=NO1)c3cc4C(C)(C)OB(c4cc3)O	1423
+FC(F)(F)C1(CC(c2ccc3c(C(C)(C)OB3O)c2)=NO1)c4cc(Cl)c(c(c4)Cl)C(F)F	1423
+CC1(C)C(CC(C)(C)c2ccc(C)cc12)CCCl	221
+CC1(C)CCC(C)(C)c2c1cc(C(=O)CC)c(O)c2	94
+FC(F)(F)S(=O)(=O)Oc1ccc2c(C(C)(C)CC2=O)c1	376
+CC1(C)c2c(N=C1C)ccc(N)c2	0
+CC1(C)c2c(Cl)c(C(C)=O)cc(Cl)c2SCC1	94
+CC1(C)c2cc(ccc2-c3ccccc13)-c4cc(-c5cccc6c7c(cccc7)sc56)cc(c4)Cl	8113
+c1cc(ccc1C#Cc2cc3c(c(c2)OC(C)C)C(CCC3(C)C)=O)CC(=O)OC	129
+O=S(=O)(NC(c1ccc2c(C(C)(C)CC(N2)c3cc(C#N)ccc3)c1)=O)C	258
+CC1(C)CCC(C)(C)c2c(OC)c(c(cc12)C)C=O	502
+CC1(C)c2cc(C=O)cc(OCCOCC)c2C(C)(C)CC1	8
+CC1(C)CCC(Nc2ccc(cc12)Nc3nc(c(Cl)cn3)Nc4c(ccc([N+](=O)[O-])c4)C(=O)NC)=O	55
+CC1(C)c2c(ccc(O)c2)C(C1)=O	5
+CC1(C)CCC(C)(C)c2cc(c([N+](=O)[O-])cc12)N	0
+CC1(C)C(C)(C)C(C)(C)c2cc([N+](=O)[O-])c(N)cc12	0
+CC1(C)c2c(C(C)(C)CC1)cc(c(c2)C)-c3nc(ccc3OC)C=O	119
+CC1(C)c2cc(c(C=Cc3ccc(cc3)C(=O)O)cc2C(C)(C)CC1=O)Cn4nccc4	8114
+CC1(C)OB(O)c2c1cc(C(=NO)Cl)c(F)c2	761
+CC1(C)CCC(C)(C)c2c1cc(OCOC)c(C(CC)=C(C(OCC)=O)F)c2	2905
+CC1(C)c2cc(c(C=Cc3cc(C)c(C(O)=O)cc3)cc2C(C)(C)CC1=O)Cn4nccc4	309
+CC1(C)C(CCc2cc(C#C)c(cc12)OC)=O	1800
+CC1(C)CC(N(c2cc3[nH]c(nc3cc12)-c4[nH]nc5ccccc45)CC)=O	567
+CC1(C)COc2c(cc(C(=O)O)cc12)Br	500
+C[Si](C)(C)C#Cc1cc(C2CC2)c3c(C(C)(C)CC(C)(C)O3)c1	263
+C[Si](C)(C)C#Cc1cc(c2OC3(CC3)CC(C)(C)c2c1)C4CC4	263
+c1cc(ccc1C#Cc2cc3c(C(=O)CCC3(C)C)c(O)c2)CC(=O)OC	129
+CC1(C)c2c(cc(cc2)C(=O)Nc3ccc(cc3)C(OC)=O)C(C)(C)CC1	67
+CC1(C)c2c(cc(C(=O)Nc3ccc(cc3)I)cc2)C(C)(C)CC1	67
+CC1(C)c2cc(ccc2N=C1C)OCCCCCC(O)=O	3
+CC1(C)c2cc(-c3cc(Cl)ccc3)ccc2NC1=O	11
+c1cc(ccc1)-c2cnc3c(c2)C(C)(C)C(C)=N3	89
+c1cc(ccc1)-c2nc(nc(-c3ccccc3)n2)-n4c5ccc(cc5c6cc7-c8c(cccc8)C(C)(C)c7cc46)Br	8115
+c1cc(ccc1)-n2cnc3cc4c(cc23)C(C)(C)C(C)(C)C4(C)C	8116
+CC1(C)c2c(N(C)C1=O)cc(-c3cnc(Cl)o3)cc2	2138
+CC1(C)CCC(CC(OCC)=O)(O)c2cc(Br)ccc12	2040
+CC1(C)CCOc2cc(C(CCCCC)CO)ccc12	2938
+CC1(C)c2ccc(-c3ocnc3)cc2N(C)C1=O	2939
+FC(F)(F)C1(ON=C(c2ccc(c(C)c2)C(NCc3cc4c(C(C)(C)OB4O)cc3)=O)C1)c5cc(Cl)c(c(Cl)c5)F	14
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c3ccc(c(C)c3)C(NCc4cc5c(C(C)(C)OB5O)cc4)=O)=NO1	14
+CC1(C)CC(=O)Nc2cc(ccc12)N	106
+c1cc(ccc1)C(c2ccccc2)N3c4ccccc4C(O)(c5c(O)cc6OCC(C)(C)c6c5)C3=O	1115
+CC1(C)CCC(C)(C)c2cc(OC)c(cc12)C(=O)CC	94
+CC1(C)CCC(C)(C)c2cc(c(C(=O)C)cc12)OC	8117
+CC1(C)CC(c2cc(N)ccc12)=O	0
+CC1(C)N(C(C)(C)c2c1cc(cc2)Nc3ncc(c(NC4CCCN(C(C=C)=O)C4)n3)F)C	55
+CC1(C)c2ccn(c2-c3cc(CC)ccc13)CC(C)O	8118
+CC1(C)c2c(N(C1)C(=O)C)cc(cc2)N	0
+CC1(C)C(=O)N(c2cc(ccc12)CO)C	49
+FC(F)(F)c1cnc(nc1Nc2c3C(=O)N(C)C(C)(C)c3ccc2)Nc4ccc(CP(OCC)(OCC)=O)cc4OC	73
+C[Si](C)(C)c1c(c2N(C)C(=O)C(C)(C)c2cc1)F	1091
+C1CC1(CCN2C(=O)OC(C)(C)c3ccccc23)N	8119
+CC1(C)CCN(c2ccccc2N)c3ccccc13	0
+CC1(C)c2ccccc2N(CC1)c3ccccc3NC(=S)N	401
+CC1(C)CCC(Nc2c1cc(cc2)[N+]([O-])=O)=O	77
+CC1(C)c2ccc(cc2NCC1)[N+](=O)[O-]	77
+CC1(C)c2ccccc2N(CC1)c3ccccc3[N+]([O-])=O	4434
+CC1(C)c2ccc(CC)cc2-c3n(ccc13)CC(C)N=[N+]=[N-]	2135
+CC1(C2CN(C(=O)C12)CC=C)c3cc(ccc3)N	0
+C1C2C(CN1CC=C)C2(c3cc(N)ccc3)C	15
+CC1(C2CN(C(=O)C12)CCCCCC)c3cc(ccc3)N	0
+CC1(C2CN(C(=O)C12)CCCCCC)c3cc(ccc3)O	477
+C1C2C(CN1CCCCCC)C2(c3cc(O)ccc3)C	15
+C(=O)(N)CCC1CC(OC(=O)C)CCC1(C)C2CCC3(C)C(CCC3C2OC(C)=O)=C	527
+CC12C3CCC4(C(C(C)CCC(OC)=O)CCC4C3C(O)CC1CC(CC2)O)C	27
+CC12CCC(CC1CC(C3C4CCC(C4(C)CCC23)C(C)CCC(OC)=O)=O)O	86
+C1C2CC(OC(C)=O)CCC2(C3C(C1)C4C(C(Cl)=C(C=O)C4)(C)CC3)C	2657
+CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C	410
+CC12C3CCC4(C(CCC4C=O)C3CCC1CC(C)(O)CC2)C	24
+CC12C3CCC4(C(CO)CCC4C3CCC1CC(C)(O)CC2)C	21
+CC12CCC(CC1CC(C3C4CCC(C4(C)CCC23)C(C)CCC(=O)O)=O)O	4
+C1(=C(C#N)C(C(=C(C)N1)C#N)c2ccc3c(c2)c([nH]n3)N)C	575
+C=1(N(C)N(C(=O)C=1CN)C)C	8120
+CC1=C(C(OC)=O)N(C(C(OC)=O)=C(C)N1)c2cccc(N)c2	0
+CC1=C(C(OC)=O)N(C(=C(C)N1)C(OC)=O)c2cc(ccc2)N=C=S	1034
+CC1=C(C)C(=O)N(C1=O)CCOC(=O)C	27
+[O-][N+](C=1C(=O)N(N(C)C=1C)c2ccccc2F)=O	8121
+FC(F)N1C(=NN(c2cc(OC)c(cc2)C)C1=O)C	8122
+FC(F)(F)c1c(ccc(F)c1)-c2c(c(C(=O)Nc3ccc(cc3)S(=O)(=O)C)cn2C(C)C(O)C)C	8123
+c1cc(ccc1-c2c(c(NC(=O)C3C(C)C3)sn2)C)O	1477
+c1cc(ccc1OCc2cc(Cl)c(cc2)Cl)CN3CCC(C(C3)C)C(=O)O	48
+CC1CC(CC(C)C1)=O	86
+C1(CC(CC(C)O1)(c2nc(COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC)cs2)F)C	3709
+CC1CC(CCN1C(=O)OC)N	8124
+Clc1ccc(c([N+]([O-])=O)c1)NC2CC(C)N(CC2)C(=O)OC	205
+CC1CCC(C)N1C(=O)CSC#N	8125
+C1(C)CCCC(C)N1C(=O)c2csc(-c3ccccc3C)n2	1241
+Clc1nc(nc(Cl)c1)N2CCCC2C	117
+C(N1CCCC1C)C#N	1576
+C#CCCN1CCCC1C	3939
+c1c(cc(c(c1)N2C(C)CCC2)C=O)Br	34
+c1cc(ccc1-c2n3c(ccn3)nc4CCCCCc24)OCCCN5C(CCC5)C	53
+c1cc(ccc1OCCN2CCCC2C)-c3nc(CC(=O)OC)co3	53
+c12c(cnc(CCN3CCCC3C)c1)cc(cc2)Br	236
+c1cc(ccc1-c2ccc(cc2)C3C(CCN4C(C)CCC4)C3)C#N	123
+C1COCCN1C(=O)c2coc(-c3ccc(cc3)OCCCN4CCCC4C)n2	53
+c1cc(ccc1OCCCN2CCCC2C)-c3sc4CNCCc4n3	53
+c1cc(ccc1OCCCN2CCCC2C)I	53
+c1cc(ccc1OCc2ccccn2)-c3oc(C)c(CCN4C(C)CCC4)n3	1306
+c1ccccc1COC(NC2c3nc(sc3CC2)-c4ccc(cc4)OCCCN5CCCC5C)=O	53
+C1(N(c2cccc(Nc3c4nccn4nc(Cl)c3)n2)CCC1)C	361
+n1cc(cnc1N2C(C)CCC2)Br	117
+O=S(=O)(C)c1cc2OC(COc2cc1)CN3CCCC(C3)C	236
+c1cc(ccc1)CN2N=C(N3c4ccccc4CC3C(N5CCCC(C5)C)=O)C=CC2=O	10
+CC1CCOc2cccc(c12)O	241
+n1cc(cnc1Oc2cccc3OCCC(C)c23)[N+]([O-])=O	893
+O=S1(=O)c2c(cc(c(C)c2C(C)CC1)C(=O)O)C	902
+CC1CNCC(C)C1=O	25
+C1C(C)C(C(CN1C(=O)OCC)C)=O	1600
+C1C(C)N(C(CN1Cc2ccccc2)C)S(=O)(=O)c3cccc(C#N)c3	92
+c1cc(ccc1N2CC(C)N(C(C2)C)C)C(=O)OCC	2690
+CC1CN(CC(C)N1)c2ccc(cc2)C(Nc3cc([nH]n3)CCc4cc(OC)cc(OC)c4)=O	4435
+FC(F)(F)CNC(=O)C1(c2c(-c3c1cccc3)cccc2)CCCCN4C(C)CN(CC4C)c5nc6ccccc6s5	28
+C1C(C)NC(CN1c2ccc3occ(c3c2)C(=O)N(C)C)C	25
+c1cc(ccc1C(C#N)CCCCCCCCCCCN2CC(C)OC(C)C2)Cl	3886
+CC1CN(CC(C)O1)CCCCCCCCCCCCl	1883
+CC1CN(CC(C)O1)CCNC(=O)Nc2nc3ccc(S)cc3s2	1180
+C1C(C)OC(CN1c2c(F)c3onc(C(=O)OCC)c3cc2C=O)C	39
+CC1CN(CC(C)O1)c2c(cc(c(F)c2F)-c3cnc(C)cn3)C=O	4202
+C1(CN(CC(C)O1)c2c(ccc(F)c2F)CO)C	49
+C1CC(CCN1Cc2cnccc2)n3ncc4c(nc(nc34)Cl)N5CC(C)OC(C)C5	565
+C1(C)CN(CC(C)C1)c2ccc(cc2[N+](=O)[O-])Br	34
+c1cc(ccc1C(C)=C(CN2CC(C)CC(C2)C)C)C(C)(C)CC	8126
+c1cc(ccc1OCCCN2CC(C)CC(C2)C)C(=O)OC	53
+C1C(C)C(C(CN1C(=O)OCC)C)=O	66
+C1C(C)N(C(CN1c2ccc(c(NS(=O)(=O)c3ccc(cc3)-c4cccs4)c2)OC)C)C	79
+FC(F)(F)c1ccc(-c2nc3ccc(N4CC(C)OC(C4)C)nn3c2)cc1NC(C(C)(C)C)=O	212
+O=S(=O)(Cc1c(OCCN2CC(C)OC(C)C2)cc(C(Nc3ccc(Cl)c(-c4ccccn4)c3)=O)cc1)C	28
+CC1CN(CC(C)O1)c2nc(nc(Cl)c2)-n3c(nc4c(cccc34)OC)C(F)F	54
+C1(CN(CC(C)O1)c2cc(c(cc2)C(=O)OC)C)C	34
+C1(CN(CC(C)O1)c2cnc(cc2)[N+]([O-])=O)C	244
+C1(C)CN(CC(C)O1)C(C2CC2c3sc(CCCC)cc3)=O	58
+N1CC(C)N(CCCCl)CC1C	1569
+O=NN1CCN(C(=O)C)C(C1)C	4410
+C1(N(CCOC1)Cc2cc(c(Br)cc2F)F)C	48
+C(N1CCOCC1C)c2nc(ccc2)Br	315
+c1(N2CCOCC2C)cc(nc(Cl)n1)C(=O)OC	54
+c1cc(ccc1)S(=O)(=O)Cc2nc(Cl)nc(N3CCOCC3C)c2	54
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(ccc4c(S(C)=O)c3)C(=O)N5C(C)COCC5	30
+Clc1nccc(n1)N2CCOCC2C	54
+c1(cc2CCCC(C)c2cc1OC)C(=O)C	94
+C1CN(CCN1c2ncnc3c2C(C)CC3O)C(N(Cc4ccc(cc4)Cl)CCN(CC)CC)=O	54
+FC(F)(F)C(N1CC(C)c2ccc(nc2CC1)O)=O	520
+N(N=C1C(N(N=C1C)c2ccc3c(CCO3)c2)=O)c4cc(cc(c4O)-c5cc(C(=O)O)ccc5)F	4436
+c1(c2ccccc2c(O)nc1C)CC(=O)O	8127
+CN1N(C(C(C=O)=C1C)=O)C	8128
+Clc1ccc2c(C(C(CC=O)C2)=O)c1	8129
+c1ccc(CCC)cc1OCOC	374
+c1ccccc1COCc2nc(N)nc(c2-c3cc(c(N)cc3)CC)N	8130
+c1cc(ccc1-c2ccccc2-c3cccnc3)Cn4cccc4CC	4437
+c1cc(ccc1OCCO)-c2cccnc2	4437
+FC(F)(F)c1cc(ccc1)N2C(N(C(C3=C2CCC3=O)c4ccc(cc4S(=O)(=O)C)C#N)CC)=O	8131
+FC(F)(F)c1c(cccc1)-c2ccc(C(=O)OC)cc2OCC	8
+c1c(c(O)c(C=O)c(F)c1)OCC	8
+c1([N+]([O-])=O)cccc(c1C#N)OCC	8
+c1cc(F)nc2c1ccn2CC	4098
+c1cn(c2c(ccc(C#N)c12)Br)CC	339
+c12ccc(nc1cc(OCC)c(c2)F)C	8
+c1c(cc2c(C(C(C(=O)OCC)=CN2CC)=O)c1)Br	8132
+c1ccc(cc1OCC)CC(OC)=O	8
+c1c2c(ccc1OCC)c(-c3cnccc3)cs2	8
+c1cc(ccc1)COC(=O)C2CCN(C2)CC	28
+c1cc(ccc1C=Cc2n(CC)cc(-c3c(cc(Cl)cc3)Cl)n2)Br	541
+O=S(=O)(C)Nc1ncc(C(=O)NCC=CC(=CC)CC)cc1	802
+CCC(=CC)c1ccc2sc(C(=O)OCC)cc2c1	1425
+c1(oc2cc(C(CC)=CC)ccc2c1)C(=O)OCC	4113
+C(C)C(CC)(c1cc(c(O)cc1)C)c2ccc3sc(cc3c2)C(=O)OCC	4438
+c1c(cc(c(c1)Cc2c(nn(-c3cc(ccc3Cl)NC(CC)=O)c2C#N)CCCC)F)Br	829
+C1(Oc2cccc(C)c2O1)(CC)C	2893
+O(c1cccc(OC)c1C(C)(O)CC)C	1589
+c1(c2c(c(C)c(C)[nH]2)c(cc1)Br)C(=O)O	8133
+c1c(cc2c(C)c([nH]c2c1)C)Br	518
+c1cc(ccn1)-c2cc3c(s2)C(NC(C)(CC)N3CC)=O	4301
+c12c(c(c(cc1)OC)Cl)CC(CCC(=O)CC)(C2=O)CCCC	2104
+c1cc(ccc1N2C(CC)=CC=C(C#N)C2=O)F	8134
+COc1cc(-c2nc(co2)CC)ccc1O	8135
+c1cc(ccc1Cl)SCC(=O)CC	4439
+c1cc(ccc1SCC(CC)=O)-c2c(n3CCCc3n2)-c4ccncc4	4439
+c1ccccc1-n2nc(CC)cc2N	752
+c1cc(ccc1)NC(CC(CC)C)CC	231
+c1(cc(n[nH]1)CC)CC	3735
+C(CC)(=O)C(C(CC)=O)Cc1ccc(cc1)Br	8136
+c1cc(ccc1-n2c(cc(CC)n2)CC)OC	2734
+CN(C)C=C(C(=O)CC)C(OC)=O	2740
+Clc1cccc(c1)-c2nc(CC)cc(O)n2	4306
+CN(C)C=C(C(=O)OCC)C(=O)CC	2740
+c1cc(ccc1CC(C(=O)CC)C(=O)OCC)-n2cccn2	1251
+c1cc(ccc1CC(C(=O)CC)C(=O)OCC)S(=O)(=O)C	1251
+C(CCC(CC)O)CCC	100
+Clc1c(ccc(C)n1)-c2oc(cn2)CC	8137
+Clc1cnc(-n2c(ccn2)NC(CC)=O)c(Cl)c1	195
+CCC(N1Cc2n(CC1)nc([N+]([O-])=O)c2)=O	8138
+CCC(NC1CCC(C(=O)O)C1)=O	68
+CCC(Nc1cc(Cl)c(F)cc1)=O	26
+c1ccccc1COC2=C(N(C=C(NC(CC)=O)C2=O)CC(OC)OC)C(=O)NCc3cc(ccc3)Cl	8139
+c1c2OCC(Cc2ccc1)NCCC	8140
+CCC(Oc1c(c(F)ccc1)F)=O	385
+c1(F)c2Cc3c(ccc(C(CC)=O)c3F)-c2ccc1	94
+c1c-2c(cc(c1)C(=O)CC)CCc3ccccc-23	94
+C1c2c(CC1N(C(CC)=O)CCC)cccc2	58
+CCC(c1c2ccc(cc2[nH]c1CC)C(=O)OC)=O	432
+c1(cc(cc(C)c1OC)C(=O)CC)C	94
+CCC(Nc1cccc(C#N)c1)=O	26
+CCC(OCC(Nc1sc2cc(OC)ccc2n1)=O)=O	8141
+C1(Cc2c(cccc2)OC1)N(C(CC)=O)CCC	58
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCN(CC4)C(=O)CC	58
+c1ccccc1N(C(=O)CC)C2CN(CCC2)Cc3ccccc3	192
+c1cc(ccc1C(=O)CC)OC	94
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(Cl)ccc(-n4cccc4CNC(CC)=O)c3Cl	68
+O=S(=O)(NC(=O)CC)c1ccccc1-c2ccc(cc2)CC3=C(CCCC)N=C(N(c4ncc(cn4)OC)C3=O)C	2738
+c1cc(ccc1CN2CCN(CC2)c3ncccn3)CNC(CC)=O	68
+c1cc(ccc1NC(=O)CC)[N+](=O)[O-]	26
+C=1(OC(=O)c2c(cccc2)N=1)CC	3310
+c1(ccccc1C(=O)O)NC(=O)CC	26
+c1cc(ccc1)C(CNC(CC)=O)Nc2cncc(c2)Br	68
+c1ccccc1CNC(c2sc(NC(CC)=O)nc2C)=O	290
+c1ccccc1COC(CC(C)(C)c2cc(ccc2OC(CC)=O)P(=O)(CP(OCC)(OCC)=O)OCC)=O	385
+c1cc(ccc1SC)C(CC)=O	94
+n1cc(-c2cc(NC(CC)=O)ccc2)nc3ccccc13	26
+CCC(NC1CCCc2c(Br)cncc12)=O	68
+O(c1cc(c([N+]([O-])=O)cc1F)F)c2ccnc(c2)NC(=O)CC	1153
+CCC(=O)N(Cc1cccc(I)c1)c2cc(-c3[nH]nnn3)ccc2	4440
+FC(F)(F)c1ccc(cn1)-c2nc3c(ncnc3NC4CN(CC4)C(CC)=O)n2C	516
+c1n2CCN(Cc2nc1NC(CC)=O)c3cc(-c4c(C)cc(cn4)C)c(Cl)cn3	43
+CCC(=O)Nc1cn2CCNCc2n1	4441
+CCC(NC1CCCc2c(cncc12)-c3cc4CCC(N(c4cc3)C)=O)=O	9
+CCC(=O)Nc1cn2ccncc2n1	1018
+N(c1c(scc1)C(Nc2cccc(OC)c2)=O)C(C(Cl)CC)=O	8142
+c1c2NC(CCc2cc(c1)Nc3nc(NC(CC)C(N)=O)cnc3C#N)=O	1410
+c1c(Br)ccc2ccc(cc12)OC(CC)C(=O)OC	289
+c1cc(cc2c1ccc(O)c2)OC(CC)C(=O)OC	289
+O=S(=O)(NC(C(CC)C)CO)c1ccc(cc1)Cl	71
+OC(C#N)CC(C([N+](=O)[O-])C)CC	2069
+Clc1cc(c(CO)cc1)OC(CC)C	521
+c1cc(ccc1OC)SC(CC)C	8143
+CCC(C=1N=C2C=CC=C(C)N2C(C=1I)=O)N=[N+]=[N-]	8144
+CCC(N)C=1N=C2C=CC=C(C)N2C(C=1I)=O	1426
+CCC(CC)(c1cn(nn1)Cc2cc3c(C(c4cc(ccc4)F)=CC(=O)O3)cc2)O	642
+c1cc(ccc1S(=O)(=O)OCC#CC(CC)(CC)OC2OCCCC2)C	8145
+C(C)C(CC)c1cccc2NC(=O)Nc12	564
+c1ccccc1COc2ccc(cc2C)C(CC)(CC)c3nc4ccc(C(=O)OC)cc4o3	1692
+C(C)C(CC)(c1ccc(OCc2ccccc2)c(C)c1)c3nc4cc(C(=O)OC)ccc4o3	1692
+CCC(CC)(c1c[nH]c2c(cccc12)NS(=O)(=O)C)c3cc4cc(oc4cc3)C	1263
+C(C)C(CC)=C(c1ccc(c2c1cccc2)C=NNC(=O)c3cc(c(O)cc3)Cl)C(=O)N	8146
+CCC(CC)C(=O)Nc1cc2C3=NC=C(C(O)=O)C(N3C=Nc2cc1)=O	127
+O=S(=O)(c1ccc(Cl)s1)NC(C=O)C(CC)CC	24
+CCC(CC)C(Nc1ccc2ncnc(c2c1)N)=O	26
+CCC(CC)C(=O)c1c[nH]c2cnc(cc12)-c3c(C)cccc3C	432
+C(C)C(CC)C(=O)c1sc2ccccc2c1C	2940
+c1cc(ccc1-n2c(ccn2)C(C(CC)CC)NS(=O)(=O)c3ccc(Cl)s3)OC	1427
+CCC(CC)C(Nc1ccc(cc1)C(NCCC(O)=O)=O)c2c(c3c(s2)cccc3)C	3
+CCC(CC)C(Nc1ccc(cc1)C(=O)NCCC(OCC)=O)c2c(c3c(s2)cccc3)C	14
+C(OC)(=O)C(C(OC)=O)=CNc1c2c(ncn1)ccc(NC(C(CC)CC)=O)c2	8147
+CCC1(CC)c2c(c(OCc3ccccc3)ccc2F)NC1	3897
+C(C)C(CC)CCNCc1cc(c(cc1)Oc2ncc(C(=O)N)nc2)F	42
+C(C)C(CC)Nc1nc(Cl)ncc1[N+](=O)[O-]	40
+CCC(CC)NC1=C(C(C1=O)=O)Nc2ccc(Cl)c(S(=O)(=O)N(OC)C)c2O	993
+C(C)C(CC)Nc1cc(nc(Cl)c1[N+]([O-])=O)C	105
+C(C)C(CC)Nc1c(cc(C(OC)=O)cc1)[N+](=O)[O-]	60
+C(C)C(CC)NC(=O)c1ccc(cc1)-c2scc(Br)c2CC(=O)OC	14
+CCC(CC)NC(C=Cc1ccc(cc1)O)=O	711
+CCC(CC)NC(=O)Oc1ccccc1	101
+C(C)C(CC)NC(n1c2ccc(Oc3cc(ncc3)N)cc2cc1)=O	2121
+c1cc(ccc1-c2scc(-c3ccccc3Cl)c2CC(=O)NC(n4cccn4)=N)C(NC(CC)CC)=O	8148
+CCC(CC)NC(c1ccc(cc1)-c2scc(-c3c(Cl)cccc3)c2CC(O)=O)=O	4
+CCC(CC)n1c2c(cnc(n2)Cl)cc1C(OCC)OCC	4442
+c1cc(ccc1F)-c2cc(OC(CC)CC)c(NC)nc2-c3ccc(cc3Cl)OC	89
+CCC(CC)c1c2c(c(Cl)cc1)nc3N(CCn23)c4ccc(Cl)cc4Cl	8149
+C(C)C(CC)c1c2n(C)c(nc2c(Cl)cc1)Oc3c(Cl)cc(cc3Br)Cl	2200
+C(C)C(CC)c1ccc(c2nc(Oc3c(cc(Br)cc3Cl)C)n(C)c12)Cl	2200
+CCC(CC)c1c2c(c(cc1)Cl)nc(Nc3ccc(Cl)cc3Cl)n2CCO	44
+CCC(CC)c1cc(cc(OC)n1)C(=O)O	1
+CCC(CC)c1nc(cc(-c2onc(n2)-c3cc(c(c(C)c3)NS(=O)(=O)C)CC)c1)OC	529
+CCC(CC)c1c2c(nc(Cl)n2C)c(cc1)Cl	1088
+C(C)C(CC)c1ccc(Cl)c2NC(=O)N(CC(OCC)=O)c12	196
+C(C)C(CC)n1c2nc(Cl)ncc2cc1C(=O)O	2634
+CCC(CC)n1c(C=O)cc2c1nc(Cl)nc2	1921
+OC(COCCCC)COCC(CCCC)CC	850
+c1cccc2nn(nc12)-c3cc(cc(c3O)COCC(CCCC)CC)C	555
+c1cccc(C(C2=NNC(N2CC(CC)C)=S)O)c1Cl	3547
+O=S(=O)(C)OCC(CC)C	7
+O=S(=O)(Nc1ccc(c(c1)O)C(=O)OCC(CC)OC)c2cc(c(Cl)s2)-c3c(O)ccc(F)c3	47
+C(CN(CCC)C1Cc2ccc(cc2C1)Br)C	15
+c1c(cc(Cl)nc1NC(C)CC)C(=O)OC	70
+O=Cc1c(nc(SC)nc1Cl)NC(C)CC	40
+FC(F)(F)c1nc(c(c(n1)NCC)[N+](=O)[O-])NC(CC)C	40
+CCC(C(=O)N)Nc1cnc(c(Cl)n1)C#N	2941
+FC(F)(F)C(=O)NC(C(=O)O)CC	8150
+c1ccccc1COC(=O)NC(CC)C(O)=O	544
+c12c(NC(C=3N=C4N(C(=CC=C4)C)C(=O)C=3I)CC)ncnc1nc[nH]2	3392
+O=S(=O)(N1CCC(CC1)Nc2nc(N)c(cn2)C(=O)c3c(ccc(F)c3F)OC)CCCNC(CO)CC	284
+O=S(=O)(c1cc(cc([N+](=O)[O-])c1)NC(CNC(CC)CO)=O)C	402
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(cn3)C(=O)NC(CC)CO)F	56
+c1ccccc1Nc2c3ncn(C)c3nc(n2)NC(CO)CC	96
+c1c(ncnc1Cl)NC(CC)CO	40
+CCC(N1Cc2n(nc(N)c2)CC1)=O	161
+CCC(N1Cc2cc(NC3=CC(=CN(C)C3=O)Br)nn2CC1)=O	523
+CCC(N=C=S)(CCCl)c1c(F)ccc([N+]([O-])=O)c1	221
+c1cc(ccc1N(C)C(=O)C2CCC(C2)NC(CC)=O)-c3nc4ccccc4n3C	429
+c12CCC(NC(CC)=O)Cc1ccc(OC)c2[N+]([O-])=O	77
+CCC(NCCc1cc(c(c(Cl)c1)Cl)C=O)=O	39
+c1cc(ccc1)CN(C(CC)=O)c2cc(C#N)ccc2	1126
+c1cc(ccc1C#Cc2cc(F)ccc2)-c3nc(on3)C(CC)OC	859
+c1cc(ccc1OC)C(CC(=O)CC)=O	2201
+c1(O)c(c(F)ccc1C(CC)=O)F	4443
+c1cc(ccc1Nc2ncc(Br)c(SC(CC)CO)n2)S(=N)(=O)C	2147
+CCC(c1cnc2c(cccc2c1Cl)OC)=O	120
+c1(cc(C(CC)Nc2cc(Br)c(C)cc2)ccc1Cl)C	3800
+C(C)C(=NOC)c1cc(c(O)c(c1)CN)Br	189
+c1(cccc(CCC)c1)Br	165
+CCC(c1ccc2occc2c1)=O	8151
+C=1COc2c(c(O)c(C(CC)=O)cc2)C=1	1318
+c1cc(ccc1C(=C(CC)c2ccc3occc3c2)c4ccc(cc4)O)OCCCl	1051
+CCC(c1cccc(c1)O)=O	5
+c1cc(ccc1C(c2ccc(cc2)O)=C(c3cccc(c3)OCC(OCC)=O)CC)O	1051
+CCC(c1cccc(OCC(OCC)=O)c1)=O	52
+CCC(c1cccc(c1)OCCCC(OCC)=O)=O	8
+CN(C)CCOc1cccc(C(CC)=O)c1	72
+c1cc(ccc1C(c2ccc(cc2)O)=C(CC)c3cc(ccc3)OCCCC(=O)OCC)O	1051
+c1cc2c(ncc(C(CC)=O)c2Nc3c(C)cccc3)c(O)c1	179
+CCC(c1cnc2c(cccc2c1Cl)O)=O	390
+C(C)C1(CC)c2cc([N+]([O-])=O)ccc2N(C)C1=O	31
+CCC1(CC)CNCCC1N	25
+C(C)C1(CC)c2cc(NC(=O)C)c(cc2N(C1=O)C)[N+](=O)[O-]	77
+C(C)C1(CC)C(Nc2ccc(cc12)[N+](=O)[O-])=O	31
+CCC1(CC)c2c(N(CCC(C)(C)NCC(c3c4ccc(nc4cc(OCc5ccccc5)c3)O)O)C(=O)O1)cccc2	122
+CCC1(CC)c2c(N(CCC(C)(C)NCC(c3cc(cc4nc(ccc34)O)O)O)C(=O)O1)cccc2	16
+CC(C)N1C(C(CC)(CC)c2cc(N)ccc12)=O	0
+C1(N(C(=O)NC12CC(C)(CC)NC(C2C)(C)CC)C)=O	3701
+C1C(C(CN(C(=O)OCC)C1)CC)=O	66
+CCC=CCCC(CCC=CCC)OS(=O)(=O)C	7
+CCC=CCCC(CCC=CCC)C#N	4444
+COc1c(C(O)CC)c(F)ccc1	1512
+C(CC(NCCC)CC(=O)N)CCCCCCCCCCC	110
+c1c(C)c(c(cc1C(O)CC)C)-n2c(c(Cc3c4c(ccc3OCC)cccc4)c(n2)CC)CC	1482
+OC(c1cccnc1F)CC	1831
+C1C(CN1c2cc3c(cc2)OCC(C3Cc4ccccc4)NCCC)NS(=O)(=O)CCC	110
+c1cc(ccc1)COc2cc(cc(F)c2)C3(COC(CC)O3)CC	8152
+c1ccccc1C=2CCN(CC=2)CCC#Cc3ncc(NCCC)cc3	839
+C1CC(CCN1Cc2ccccc2)N(CCC)C3Cc4c(ccc(OC)c4)CC3	61
+C(CC)(c1c(OC)c(ncc1)OC)O	3280
+CCCOc1cccnc1N	458
+n1n(CCC)ccc1[N+](=O)[O-]	338
+O(c1c([N+]([O-])=O)cccc1)CCC	8
+c1cc(c(c(c1OCCC)Cl)C)[N+]([O-])=O	8
+c1(C=O)cc(OCCC)c(cc1)OC	8
+C(O)(c1cc(ccc1F)Br)CCC	8153
+c1c(cc(F)c(c1)N2C=NN(CCC)C2=O)Br	8154
+c1ccccc1C2=NCC(=O)N(c3ccc(cc23)Cl)CCC	988
+c1ccccc1N(C(CC(C)CC)CC)CCC	936
+C1(=O)c2ccccc2C(=O)N1C3CCC(CC3)OCCC	176
+c1ccccc1-c2c3c(n(c2C)CCC)cccc3OC(C)(C)C(=O)OCC	339
+c1ccccc1COc2c(c(SC)cc(C=O)c2)OCCC	8
+c1nc(ncc1OCC)-c2ccc(cc2)CCCCCOCCC	176
+C(COc1cccc2c1cncc2)C	8
+Clc1cc(c(NC(=O)CCC)cc1)C(=O)N	26
+FC(F)(F)CCN1CCN(CC1)c2c(ccc(Cl)c2)NC(=O)c3cc4c(CCN(C4)C(=O)CCC)cc3	58
+Oc1nc(CCC)nc2nc3c(cc12)cccc3	8155
+C(C)CC(Nc1c(ccc([N+]([O-])=O)c1)O)=O	26
+C(c1ccc(c(c1O)C)O)(CCC)=O	94
+C(C)CC(Nc1cc([N+]([O-])=O)ccc1)=O	26
+c1cc(ccc1[N+]([O-])=O)Oc2ccnc(NC(CCC)=O)c2	195
+c1ccccc1-c2cnc3c(c2)c([nH]n3)NC(CCC)=O	195
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3ccc4[nH]c(CCC)nc4c3	442
+c1cc(ccc1Oc2ccccc2)C(=O)CCC	214
+c1cc(ccc1-c2c3c(ncnc3n(C4COCCN(C4)C(CCC)=O)n2)N)Oc5ccccc5	10
+c1cc(ccc1CCC(C(=O)OCC)(C(=O)OCC)NC(C)=O)Sc2ccc(cc2)C(=O)COC(=O)CCC	4445
+c1cc(ccc1C(=O)CCC)Sc2ccccc2	214
+C(C)CC(CCC)(C(=O)OCC)Oc1c(C=O)cc(Cl)cc1	494
+C[Si](C)(C)OCC(CCC)(CCC)COC	19
+C(CC)C(CCC)C(N(C(CC=C)C(=O)O)C)=O	4
+CCCC(CCC)c1ccc(cc1)OCc2ccc(cc2)-c3ccc(C=O)s3	139
+CCCC(CCC)c1ccc(cc1)OCc2ccc(cc2)-c3ccc(s3)CO	1364
+CCCC(CCC)c1ccc(cc1)OCc2ccc(cc2)-c3sc(cc3)CCl	8156
+Clc1ccc(c(Cl)c1)-c2c(c(NC(CCC)C)ncc2)[N+]([O-])=O	70
+C[Si](C)(C)OC(CC#C)(CCC)CCCC	19
+C1C(CCCN1C(=O)c2cnc(c(Cl)c2)Cl)CCC	1558
+c1cc(ccc1-c2sc(cc2)CCCCC)OC(=O)C=CCCC	2358
+FC(F)(F)c1ccc(cc1)-c2cccc(NCCCC)c2	291
+c1(cc2c(nc(s2)Cl)cc1)NCCCC	291
+C1CCCCC1CC(C(OCC)=O)(C(OCC)=O)CCCC	3270
+c1(cc(c(cc1)OCCCC)O)C=O	8
+c1c(F)c(c(cc1)F)C(Nc2nn(Cc3ccc(cc3Cl)OCCCC)cc2)=O	8
+c1c([N+]([O-])=O)cccc1C(=O)c2cccn2CCCC	1878
+c1c(C)nc(cc1)OCCCC	1923
+c1ccccc1CNC(CN2CCc3cc(c(cc3C2Cc4ccc(OCCCC)c(OC)c4)OC)OC)=O	8
+c1cc(ccc1)COC=2C=CN(CCCC)C(=O)C=2	8157
+CN(C)C(C)(CCCC)C#N	735
+FC(F)(F)c1ccccc1C(=O)N2CCN(CC2)c3ccc4n(n3)cc(n4)CCCC	1823
+O(CC)C(=O)C(C(OCC)=O)CC(c1ccc(cc1)-c2ccc(cc2)NC(CCCC)=O)=O	26
+C(C(=O)c1c(sc2c1cccc2)-c3ccc4c(c3)ccc(OCC(=O)OCC)c4Br)CCC	1487
+C(C(=O)c1c(-c2cc3ccc(cc3cc2)OC)oc4ccccc14)CCC	2617
+c1cc(ccc1CN(C(=O)CCCC)c2ccccc2)-c3ccccc3C(=O)OC	192
+CCCCc1c(C)nc(c(C#N)c1)O	8158
+CCCCC(CC(=O)OC)C	27
+O=S1(=O)c2cc(C=O)ccc2N=C(N1)C=3C(=O)C(CCCC)(CCCC)c4ccc(cc4C=3O)F	674
+O(C)c1c(F)cc2C(C(Cc2c1Br)CCCC)=O	65
+CCCCc1cc(Cl)n2c(ccn2)n1	1591
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)NCCCCC	291
+OC(CCCC)C#CC	8159
+c1(ccc(C#CC(O)CCCC)c(c1F)F)F	3685
+C(CCC1(CCCCCC)c2cc3c(cc2-c4ccccc14)CC(C3O)C)CCC	74
+c1cc(ccc1NCCCCCC(CCCCCCCCCC)=O)C(OCC)=O	601
+CCCCCCCCCCCC(NO)=N	409
+c1cc(C(=O)CCCCCCCCCCC)sc1	1808
+c1cc(ccc1-c2onc(CCCCCCCCCCC)n2)C=O	4446
+c1cc(cc2c1nc(nc2NCCCCCCCCCCCC)Cl)[N+](=O)[O-]	8160
+FC(F)(F)C(=O)C=Cc1ccc(cc1)OCC(NCCCCCCCCCCCC)=O	9
+c12c(C(=O)N(C1=O)Cc3sc(S(=O)(=O)NCCCCCCCCCCCC)cc3)cccc2	1427
+c1ccccc1C=NCCCCCCCCCCCC	853
+C(CCCCN(CCO)CC)CCCCCCC	183
+C(Cc1sc(C=O)cc1)CCCCCCCCCC	968
+C(CO)CCCN(C(Nc1c(F)cc(cc1)F)=O)CCCCCCC	326
+C(Oc1cc(CCN)ccc1OCCCCCC)CCCCC	157
+c1(C=C[N+](=O)[O-])cc(c(OCCCCCC)cc1)OCCCCCC	417
+O(C)C=1C(N(C=CC=1)CCCC)=O	8161
+O=C(OCC)C(=NOCCCC)C(C)=O	4447
+O=S(=O)(N(CCCC)C1CCCOc2ccccc12)C	2821
+C1(C#N)=C2CCCC(=O)C2=CN(CCCC)C1=O	8162
+c1(cc(cc(C)c1OCCCC)C=O)C	116
+c1ccccc1Cn2cnc3c2C(NC(=O)N3CCCC)=O	3419
+c1ccccc1CN2c3c(ccc(c3CCC2=O)CC4SC(NC4=O)=O)OCCCC	116
+c1(ccccc1Br)NN=C(C(NCCCC)=O)C#N	8163
+N(C(=O)c1cccc(c1OC)OC)CCCC	14
+Cc1nc(N)nc(NCCCC)c1Cc2c(cc(cc2)Br)OC	8164
+c1(c([N+]([O-])=O)cc(C)c(Cl)c1)NCCCC	205
+C(c1ccc(c(Cl)c1)Cl)NCCCC	42
+c12nc(nc(c1[nH]cn2)N)NCCCC	96
+c1(cc(ccc1[N+]([O-])=O)F)NCCCC	250
+c1cc(ccc1CC#N)Sc2c(nc(N)nc2C)NCCCC	40
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCCCCC(=O)NCCCC	9
+c1ccccc1S(=O)(=O)c2n[nH]c3c2cc(OCCNCCCC)cc3	463
+n1cc(n2c1ccc(NCCCC)n2)Br	232
+C(CN(CCCC)C(=O)OCOC(=O)C1=C(SC=Cc2scnc2CO)C(C3C(C(=O)N13)C(C)O)C)CC	8165
+C(C)CCN(CCCC)C(c1nn(-c2c(C#N)cc(OC)cc2)c(c1Cl)C)=O	926
+C(CN(CCCC)SN(C(Oc1cc(C)c(c(c1)C)N=Cc2c(O)cccc2)=O)C)CC	8166
+O=S(=O)(CCCCCCl)N(C)CCCC	112
+CCCCNC(=O)C(C(N)CCCC)O	18
+c1cc(ccc1)S(=O)(=O)CCCc2cc(C(OCC)=O)nn2CCCC	4281
+C(C)OC(c1cc(C)n(CCCC)n1)=O	2202
+O=S(=O)(C)c1nnc(NC(=O)N(CCCC)N)s1	2551
+C1OCCC1(NC(=O)c2cncc(N)c2)C(OCCCC)=O	4370
+FC(F)(F)c1c(cc(cc1F)C=CC(OCCCC)=O)F	233
+Fc1cc(cc(F)c1C)C=CC(OCCCC)=O	233
+c1cc(ccc1-c2cc(sc2S(=O)(=O)NC(=O)OCCCC)CCCC)Cn3ccnc3	3269
+c1ccccc1COC(NC2CCN(C(OCCCC)=O)C2)=O	66
+n1c(c(Cl)cnc1Cl)C=COCCCC	8167
+c1cc(c(C)c(n1)CSc2nc3ccccc3[nH]2)OCCCC	8168
+FC(F)(F)c1cnc(-c2ccc(cc2)C(O)CCCC)cc1	758
+S(c1cc(C)c2nnc(c(Cl)c2c1)C(=O)N)C	3404
+FC(F)(F)c1c(-c2ccccn2)ccc(NC(=O)Nc3ccc(cc3)Oc4ncnc(c4)NC)c1	4448
+O=C1c2c(cccc2)C(=O)N1C(c3c(-c4ccccn4)nc5sccc5c3)C	4449
+c12c(cccc1)C(=O)N(C2=O)C(C)c3c(nc4c(c(ccc4)Cl)c3)-c5ncccc5	8169
+c1ccc2C(=O)N(C(=O)c2c1)c3nc(c(C)cc3)-c4ncccc4	8170
+CC(C)Oc1ccc(cc1)-c2cc(Cl)cc(-c3ccccn3)n2	4449
+c1(cnccc1-c2cc(c(nc2-c3cccnc3)N)[N+]([O-])=O)F	8171
+c1(cnccc1-c2cc(c(nc2-c3c(cccc3)F)N)[N+]([O-])=O)F	2432
+FC(F)(F)c1cccc(-n2c(OCC)nc(-c3n(-c4ccc(cc4)C#N)ncc3)c2C)c1	8172
+FC(F)c1cc(c(cc1-c2ccnn2C(C)C)C(OC)=O)N	4450
+FC(F)(C)c1cc(N)c(cc1-c2n(ncc2)C)C(=O)OC	4450
+c1(-c2nc(C)cs2)nccc(c1)C(=O)OC	8173
+c1c(C)ccc(-c2cc(OC)cc(c2)C(=O)OC)n1	4448
+c1cc(ccc1S(=O)(=O)n2cc(-c3nc(Cl)ccn3)c4cc(ccc24)-c5oc(NCc6ccc(cc6)OC)nn5)C	8174
+n1cccnc1-c2ccc(nc2)F	8175
+Cc1nc(N)nc2N(C(C(c3sccn3)=Cc12)=O)CC	8176
+n1cc(-c2sccn2)ccc1F	8177
+n1(cc(-c2cc(C#N)ccn2)nc1)C	4451
+O(CC)P(OCC)(c1c(scc1)-c2c(P(OCC)(OCC)=O)ccs2)=O	3382
+CCCCc1c(C)nc(O)c(N)c1	13
+Cc1c(ccc(O)n1)CCCC	2203
+CCCCc1cc(n2c(ccn2)n1)NC	1005
+CCCCc1c(N)c([nH]n1)C(=O)N	209
+CCCCc1n[nH]c(C(=O)O)c1[N+](=O)[O-]	1733
+CCCCc1n[nH]c(C(=O)N)c1[N+](=O)[O-]	4252
+c1ccccc1-c2csc(Sc3n(c(c(n3)C(=O)N)N)CCCC)n2	8178
+Clc1cc(c(CO)cc1)OCCC	116
+FC(F)(F)C(c1cn(CCC)c2cc(ccc12)Cl)=O	557
+FC(F)(F)c1ccc(cc1)-c2cc(OCc3ccccc3)cc(C(C(OCC)=O)CCC)c2	434
+C1CN(CCC)CC(c2cc(ccc2)OC)=C1	8179
+O=C(C(CCC)c1c(Cl)n2nc3c(c2nc1C)cccc3)OC	2877
+O=C(OCC)C(=NOCCC)C(C)=O	4447
+O=S(=O)(C)c1c(c(C2CCN(CC2)CCC)ccc1)F	183
+O=S(=O)(N)c1c(cccc1OCCC)I	116
+CCCn1cnc(C=O)c1	4452
+c1(c(c(c2c(OC(c3cc(c(cc3)N(CCC)C(=O)C)F)=CC2=O)c1F)N)F)C	727
+C(c1c(Br)cccc1F)CC	4453
+C(COc1cc(ccc1[N+]([O-])=O)F)C	116
+C(Oc1cc2c(cccc2)cc1NC(=O)C)CC	116
+C(COc1c(ccc(c1)O)Br)C	116
+C(COc1cc(cc(c1Br)O)C(=O)OCC)C	116
+c1cc(c(C(=O)OC)cc1I)OCCC	116
+c1c(cc2c(OC(=O)N2CCC)c1)Br	4325
+c1cc(ccc1-c2c(C)c(nn2-c3c(Cl)cc(Cl)cc3)-c4n(nnn4)CCC)Cl	8180
+c1ccccc1CN2C(C)=CC(OCCC)=C(Cc3ccc(cc3)-c4ccccc4C#N)C2=O	8181
+c1cc(ccc1Br)OCCC	116
+c1cc(ccc1-c2nc(nc(C)c2C(C(=O)OC)CCC)Cl)C	2877
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)OCCC	116
+c1ccccc1NC(NCCCN(CCC)CCc2ccc(cc2)Cl)=O	183
+c1cc(ccc1OCCC)C(=O)C	116
+c1ccccc1COC(NC2CC3c4c5c(CC3N(CCC)C2)c[nH]c5ccc4)=O	183
+COc1cc2c(cc1)CCC(NCCC)C2	87
+FC(F)(F)C(CNc1cc(C)cc2n(ncc12)-c3ccccc3)(CNCCC)O	122
+FC(F)(F)C(CNc1cc(C)cc2n(ncc12)-c3ccc(cc3)F)(CNCCC)O	122
+FC(F)(F)c1cccc(c1)S(=O)(=O)N2CCC(CC2)ONC(=O)NCCC	8182
+FC(F)Oc1ccc(Br)c(OCC(NCCC)=O)c1OC	9
+O1C(Oc2cc(cc(c2C1)F)Br)CNCCC	132
+CCCN1C(CO)=CNC1=S	4327
+C(CC)N1C(Cc2c1c(F)cc([N+]([O-])=O)c2)=O	1611
+c1(nc(NCCC)nc(c1)C(NO)=N)C	96
+c1(C=C2c3cc(C(=O)NCCC)sc3NC2=O)ccc[nH]1	227
+CCCNc1c(I)cnc(Cl)n1	40
+[N+](c1c(c(Cl)cc(c1C(=O)NCCC)Cl)OC)(=O)[O-]	513
+c1(Cl)cc(cc(Cl)c1OCCNCCC)Cl	132
+c1(cccc(OC)c1-c2n(CC(C)C)nc(C(=O)NC(CC(NCCC)=O)CC(C)C)c2)OC	9
+n1c2c(c(NC)nc1NCCC)nc(Cl)nc2NC	798
+O=[N+](c1c(NCCC)cc(c(F)c1)[N+](=O)[O-])[O-]	60
+c1c(ccc(CNCCC)c1F)F	42
+c1cc(ccc1-c2c(C#N)cccc2)CNCCC	370
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(-n4nnc(CCNCCC)c4)c3)ccc1F)F	463
+c1c(cc(C(NCCC)=O)c(N)c1)I	1338
+c1ccccc1COCCCC(=O)NCCC	9
+c1ccccc1N2C(C3=CNC=C(C(NCCC)=O)C3=N2)=O	8183
+c1ccccc1S(=O)(=O)Nc2cccc(Sc3ccc([N+](=O)[O-])c(CNCCC)c3)c2	42
+c1ccccc1S(=O)(=O)Nc2cccc(S(c3ccc([N+](=O)[O-])c(CNCCC)c3)=O)c2	42
+CCCN(CCC)CC(N1c2c(C=3N(c4cc(c(cc14)C)C)C(N(CCCN(C)C)N=3)=O)cccn2)=O	4284
+CCCN(CCC)CC(N1c2ncccc2C(Nc3cc(C)c(cc13)C)=S)=O	8184
+CCCN(CCC)CC(=O)N1c2c(cc(C)c(C)c2)N3C(=O)NN=C3c4c1nccc4	8185
+CCCN(CCC)CCCCC1C(c2ccc(CNCc3ncc[nH]3)cc2C1)OC	8186
+CCCN(CCC)CCCCC1Cc2c(ccc(CN(Cc3nccn3C)Cc4ncc[nH]4)c2)C1OC	566
+c1cc(ccc1CN(Cc2n(ccn2)C)Cc3[nH]ccn3)CN(CCCCN(CCC)CCC)CCC(O)=O	4
+CCCN(CCC)CCCCN1CCc2cc(ccc2C1)CO	98
+CCCN(CCC)CCCCN1CCc2c(ccc(CNCc3n(ccn3)C)c2)C1	42
+CCCN(CCC)CCCCN1CCc2cc(C=O)ccc2C1	39
+C(CC)N(CCC)CCCCN(C=O)Cc1ccc(cc1)CN(Cc2n(C)ccn2)Cc3[nH]ccn3	1003
+C(C)CN(CCC)c1c2n(c(Cl)nc2c(cc1)Br)C	1088
+CCCn1cncc1CO	4329
+C1C=C(CC1)c2ccc([N+]([O-])=O)c(NC(=O)N(C)CCC)c2	2016
+C(N(C)c1nc(Cl)cc(c1)C(=O)OC)CC	43
+FC(F)(F)c1n(C)nc(-c2c(F)cc(c(N(CCC)C)c2)[N+]([O-])=O)c1Cl	34
+c1cc(ccc1C(=O)N2CC(N(C)CCC)CC2)I	1499
+CCCNC1CCc2ncsc2C1	2190
+c1cc(ccc1)N2CCN(CC2)C(=O)NCCCCN(CCC)C3CCc4c(C3)scn4	61
+c1(NCCC)nc(ncc1I)Nc2cccc(c2)F	55
+c1cc(ccc1C#N)Nc2ncc(I)c(NCCC)n2	55
+c1c(C)c(c(cc1)C)NC(=O)OCCC	90
+O(C(Nc1cccc(NC(C=C(OC)C)=O)c1)=O)CCC	90
+C(COC(n1c2c(cc1-c3cnn(C)c3)cnc(Br)c2)=O)C	1825
+CCCOc1ccnc(O)c1C	8187
+N(=[N+]=[N-])Cc1ncc(OCCC)c(O)c1	4454
+c12c(C(C(=O)N=C1O)=CNCc3cc(c(OCCC)cn3)O)cc(cc2)Br	8188
+CCCOc1c(O)cc(CCl)nc1	512
+CCCOc1ccnc(S)c1C	4455
+c1cc(ccc1)Cn2c(cc(OCCC)n2)C(OC)=O	309
+C(O)(c1ccc(cc1F)Br)CCC	8189
+c1cc(ccc1OC)CN2CCCC(C(=O)CCC)C2	4456
+c1ccccc1COc2c(OC)ccc(c2)C=C(CC)[N+]([O-])=O	1734
+C(c1ccnc(c1N)C(=O)OCC)CC	1735
+CCCc1nccc(C=O)c1OCOC	4457
+N(c1cc(Cl)c(F)cc1)=Cc2ccnc(c2O)CCC	457
+CCCC1CCCNC1	8190
+CCCc1ccnc(c1)C(=O)N	1200
+CCCc1c(c(ccn1)C=O)O	2942
+O=S(=O)(Cl)c1cc(-c2nc(c3c(nn(c3n2)CCC)C)O)c(OCCC)cc1	240
+CCCn1cnc(CO)c1	1125
+Clc1cc(N)c(cc1)SCc2ncn(c2)CCC	8191
+CCCn1cnc(CCl)c1	1736
+C(C)OC(c1c2c(ccn2CC)c(Cl)nc1)=O	557
+c1(OCC)c(cc(cc1F)Br)OCC	4458
+c1cc(C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O)cc(c1OCC)OCC	4458
+c1(C(=O)OCC)c(C)cc(cc1OC)Br	1735
+c1c(c(OC)c(OCOC)c(c1)Br)OCC	116
+c1(c2c(ccc(OC)c2)c(Cl)nc1)OCC	788
+CC(C)(C)OC(N(C1CCN(c2c3c(ncc2)n(COCC[Si](C)(C)C)c4cnc(cc34)C#N)C1)CC)=O	2802
+Cc1n(C2=CC(=O)N(CC)C=C2)c(nc1C#Cc3cccc(Cl)c3)C	3477
+Cc1n(C2CCCCO2)nc-3c1C(N(c4ccc(cc-34)I)CC)=O	8192
+c1(OCC)cc(C)c(Br)c(C)n1	3761
+c1(NC(C)=O)c(c(CC)c(Cl)cc1)F	4453
+Clc1cc(c(N)cc1)C(=O)c2c(OCC)c(ccc2)OC	116
+C(C)N(CC)CC(C)N1c2ccc(Cl)cc2Sc3ccc(cc13)C#N	183
+FC(F)(F)C(c1ccc(c2nc3N(CCCn3c12)c4c(Cl)cc(Cl)cc4)Cl)OCC	481
+FC(F)(F)C(c1c2c(n(c1C)CC)cc(cc2)OC)=O	557
+FC(F)(F)c1cc(ccc1C#N)N(CC)C2CC(CCC2)N	2457
+FC(F)(F)c1cc(C=2C(C(=CN(CC)C=2C)C(NCc3ccc(cc3)S(=O)(=O)C)=O)=O)ccc1	8193
+FC(F)(F)c1cc(ccc1)N2N=C(c3ccnn3-c4ccccc4)C(C(OCC)=C2)=O	8194
+FC(F)(F)c1cc(ccc1)Nc2c3ncn(CC)c3nc(Cl)n2	8195
+FC(F)(F)c1cc(-c2nc(C#N)c3ncn(CC)c3c2)ccc1	1519
+FS(F)(F)(F)(F)c1ccc2c(c(cn2CC)CN3CCN4C(=CC=C(n5cc(nc5)C)C4=O)C3=O)c1	557
+CCN1C(CCNc2c1cccc2)=O	727
+Nc1c(c(cc(c1)C(=O)OC)OCC)I	116
+O(C)c1ncc(OCC)c(I)c1	788
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(OCC)cc3)C1=O)N(c4ccc5nc(oc5c4)C)C	116
+O=S(=O)(C)c1ccc(cn1)Oc2cc3cc([nH]c3c(OCC)c2)C(OC)=O	788
+O=S(=O)(CC)c1cc(F)c(cc1)Br	2456
+O=S(=O)(c1c(cc2c(c1)C(CNC(N3CC(=C(CC)C3=O)C)=O)CCO2)OCC)N	116
+CC1(C)CN(c2cc(c(cc12)Br)S(=O)(=O)CC)C(C)=O	2456
+C1CN(CCN1CC)c2n(ccn2)S(=O)(=O)N(C)C	183
+c1c(OC)ccc2c(C#N)cn(CC)c12	557
+c1(C)nc(OC)ccc1N2CCCn3c2nc4c(Cl)ccc(C(CC)OCC)c34	481
+c1(F)cc(cc(F)c1)OCC	116
+Fc1c(OCC)cccc1	116
+c1(I)c(F)cc(OC)c(OCC)c1	116
+C1C(CCCN1CC)CCn2c(OC)nc3c2nc(nc3N)OC(CCC)C	183
+c1([N+]([O-])=O)cc(OCC)ccc1C	116
+c1(cccc(OCC)c1Br)C(=O)C	116
+O=C(O)C(CC)c1ccccc1I	434
+O=Cc1cc2c(OC(C)C(=O)N2)c(c1)OCC	116
+c12c(ccc([N+]([O-])=O)c1)n(CC)nc2OC	2437
+c1([N+]([O-])=O)cc(OCC)c(I)cc1	116
+c1(C=O)cc(c(F)cc1)OCC	116
+c1(cc(cc(C)c1-n2c(c(Cc3c4c(ccc3OCC)cccc4)c(CC)n2)CC)Br)C	116
+c1(cc(N(CC)C(C)=O)ccc1)-c2nnc(cc2)Cl	727
+c1(C=O)cc(OCC)c(cc1)[N+]([O-])=O	116
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(COCC)cc(Br)c2	481
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(OCC)cc(c2)Br	116
+c1(c2[nH]ccc2ccc1)OCC	788
+CCn1c2ccccc2c(c1)C(OC)=O	557
+O(CC)c1ccc(C(=O)C)c(c1)O	116
+C(C)OC(c1cccc(F)c1C)=O	1735
+c1c(Br)c(Cl)ccc1C(=O)OCC	1735
+c1c(C)c(c(cc1)C)COc2cc(ccc2)C(CC)C(OCC)=O	434
+c1c(C)c(c(cc1C(OCC)CC)C)-n2nc(c(Cc3c4c(ccc3OCC)cccc4)c2CC)CC	481
+c1c(F)c(N)cc(OCC)c1Br	116
+c1c(O)cc(OCC)cc1CO	116
+c1c([N+]([O-])=O)cc(OCC)cc1C(=O)OC	116
+[O-][N+](c1cc(cc([N+]([O-])=O)c1)N(C(C)=O)CC)=O	727
+c1c-2c(C(CC)c3c(cccc-23)C)c(C)cc1C	8196
+c1c(cc(OCC)c(Cl)c1)Br	116
+C(C)N(CC)CC(N1c2c(Sc3c1cc(cc3)C#N)cccc2)C	183
+c12c(cccc1Br)ccn2CC	557
+C(OC1COCC1Oc2c(OC)ccc(C#N)c2)C	481
+c12ccc(OCC)cc1cc(cc2)OC(CC)C(=O)OC	116
+c1cc(ccc1)-c2cn(c3ccc(cc23)[N+](=O)[O-])CC	557
+c1cc(ccc1)COC(N2CC(OCC)C(Nc3c(ncc(CC)n3)CC)C2)=O	481
+c1cc(ccc1)COC(=O)N2CCC(CC2)CCCCC(=O)OCC	939
+c1cc(ccc1)N(CCOC)C(=O)C2=C3N(C=Cc4cc(sc34)CC)C(C(c5ccc(cc5)OCc6ccccc6)=C2)=O	8197
+c1cc(ccc1)OC(N2CCC34C(C2Cc5ccc(OCC)cc35)CCOC4)=O	116
+c1cc(ccc1-c2n(CC)c(cc2)C#N)NS(=O)(=O)CC	4459
+c1cc(ccc1Cl)-c2n(CC)ccc2C	4459
+c1cc(ccc1-c2c(Br)cn(CC)n2)[N+](=O)[O-]	1717
+c1cc(ccc1Cn2c3c(cccc3nc2SCC)C(=O)OCC)-c4ccccc4-c5[nH]nnn5	8198
+c1cc(ccc1Br)-c2nn(CC)cc2	1717
+c1cc(ccc1-c2noc(C)n2)N=C(C(SC)=NC(OC)=O)c3ccc(OCC)c(OC)c3	116
+c1cc(ccc1C(=O)N2CC(CC2)OS(=O)(=O)C)Cc3n(CC)c4ccccc4n3	1519
+c12c(cccc1)C(=O)N(C2=O)CCCN(CCc3ccc(cc3)Cl)CC	183
+c1cc(ccc1Cl)Nc2nc(Cl)nc3n(cnc23)CC	8199
+c1cc(ccc1F)Cc2cc3N(CC)C(C(=C(c3nc2)O)C(=O)OCC)=O	8200
+c1cc(ccc1SCC)O	4460
+O=S(=O)(c1ccc(cc1)C)N(CC)c2ccc(cc2[N+](=O)[O-])F	8201
+c1cc(ccc1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC)[N+]([O-])=O	183
+c1cc(ccn1)-c2sc(c(c2)NCC)C(OC)=O	8202
+c1cn(c2cccc([N+]([O-])=O)c12)CC	557
+c1ccccc1CN(Cc2ccccc2)c3c(F)c(-c4nn(cc4-c5ccncc5)CC)c(F)cc3	1717
+c1ccccc1COC(N(C)Cc2cc3ccccc3n2CC)=O	557
+c1ccccc1COC2=C(C(OCC)C)OC(C)=CC2=O	8203
+c1ccccc1COCCCOc2ccc3c(OC(C(=O)OCC)(CC)CC3)c2	8204
+c1ccccc1COc2cc(cc(OCC)c2Br)-c3ncc(o3)C	116
+c1ccccc1COc2cccc3c2nc(cc3C(OCC)=O)C	1735
+c1ccccc1COc2ccc(cc2)N3C(N(c4cccnc34)CC)=O	8205
+c1cc(ccc1)Cn2cnc3N(C(=O)N(C(c23)=O)CC)CCCC	8206
+c1c2n(CC)cc(c2ccc1OCC)C#N	116
+CCN1C(=O)C(=C(N=C1C)N2CCc3c(CC2)sc(N)n3)[N+]([O-])=O	8207
+n1cc(Br)cc(OCC)c1	788
+CCOc1cccnc1O	788
+C(CNCC)C(OCC)=O	1340
+CN(C)c1ccc(cc1)CNCC	42
+C[Si](C)(C)CCOCn1cc(C(=O)NC(CC(NCC)=O)C)c2c1ncc(C3CC3)n2	9
+COc1c(F)c(c(c(OC)c1)F)N(Cc2cnc(Cl)cc2Cl)C(NCC)=O	3638
+c1cc(ccc1F)-c2c3c(ncnc3sc2)OCCCOc4cc(ccc4)NC(=O)NCC	675
+ClC1(Cl)C(C(NCC)=O)(C)C1	68
+Clc1cc(C(NCC)=O)c(Cl)cc1	93
+Clc1cc(c(cc1)C(=O)O)NCC	205
+CCNc1ccncc1[N+](=O)[O-]	105
+FC(F)(F)C(c1cn(nn1)Cc2cc3cc(C(=O)NCC)c(n3cc2)-c4ccc(cc4)F)(O)CC	56
+FC(F)(F)C(CNc1cc(C)cc2n(ncc12)-c3ccccc3)(O)CNCC	122
+FC(F)(F)c1cc(c(cc1)-c2c(OC)ccc(CC(OCC)=O)c2)CNCC	42
+FC(F)(F)c1cc(c(-c2cc(CC(=O)OC)ccc2OC)cc1)CNCC	42
+FC(F)(F)c1cc(c(-c2c(ccc(CC#N)c2)OC)cc1)CNCC	42
+FC(F)(F)c1ccc(c(CNCC)c1)-c2c(ncc(Br)c2)OC	42
+FC(F)(F)c1c(NC(=O)c2c(nccc2)NCC)c(Cl)nc(C)c1	70
+FC(F)(F)c1cc2c(nc3c(C(N(C3)CC)=O)c2Cl)cc1	2943
+FC(F)(F)c1cc(CNCC)c(cc1)Oc2cccc(CC(=O)OC)c2	42
+FC(F)(F)c1ccc2c(nc(-c3c(SCC)cc(cc3)Cl)nc2NCC)c1	40
+FC(F)(F)c1nc(Cl)c(c(NCC)n1)[N+]([O-])=O	40
+C1CC(CCN1Cc2ccccc2)(C#N)NCC	8208
+CCNc1c(C#N)c(O)nc(C)c1	105
+N#Cc1ccccc1Nc2nn3c(n2)cnc(-c4cccc(C(NCC)=O)c4)c3	14
+N(c1c(C)cccc1Cl)CCCNCC	1130
+c1(c(N)c(C(NCC)=O)ccc1)F	1338
+C1COC2(CCC(CC2)NCC)O1	87
+n1cc(c(c(Br)c1)C)CNCC	249
+c1(c(-c2c(CNCC)cc(-c3ccc(nc3)OCC)cc2)cc(cc1)CC(=O)OCC)OC	42
+Clc1cc2Sc3c(cc(C#N)cc3)N(C(C)CNCC)c2cc1	285
+O=S(=O)(C)c1cccc(c1)-c2ccc(-c3cc(nn3-c4c(cccc4)Cl)CC(NCC)=O)s2	248
+O=S(=O)(NCC)c1c(c([N+](=O)[O-])ccc1Cl)Cl	71
+O=S(=O)(c1ccc(F)c(c1)C(=O)O)NCC	71
+O=S(=O)(NCC)c1c(cccc1)[N+]([O-])=O	71
+O=S(=O)(Nc1ccc2COB(c2c1)O)c3ccc(cc3CC(=O)NCC)OC	9
+O=S(=O)(c1c(cc(c(C(O)=O)c1)F)F)NCC	3442
+c1c2c(N(C(CNCC)C)c3c(cccc3)S2)cc(C#N)c1	285
+c1ccccc1COC(NCCCCNCC)=O	285
+O=S(=O)(c1cccc(-c2nc(nc(NCCc3ccc(cc3)OC)c2)OC)c1)NCC	71
+O=S(=O)(C)c1ccc(c(c1)CNCC)O	42
+c1cc(ccc1S(=O)(=O)Nc2cc(nc(NCC)c2)NC)N	340
+c12nc(n(C3C(O)C(C(CO)O3)O)c1nc(I)nc2N)NCC	8209
+C(NCCCSc1ncco1)(NCC)=C[N+]([O-])=O	2063
+[N-]=[N+]=NCC(CN1c2nc(ncc2C=C(C1=O)c3c(Cl)cc(-c4nc(cnc4)C)cc3)NCC)O	785
+c1c(c(ccc1)[N+]([O-])=O)NCC	60
+c1(-c2csc(n2)-c3cnccc3C)cc(ccc1)C(NCC)=O	14
+c1(Cl)c(Cl)ncc(C(NCC)=O)c1	56
+c1(C)c(C(=O)NCC)ncc(c1)[N+](=O)[O-]	780
+c1(Cl)ncc(CNCC)s1	4461
+CCNc1ncccc1[N+](=O)[O-]	70
+c1(OC)cc(C(=O)O)cc(C2=Cc3c(cc(nc3)NCC)N(C2=O)CC)c1	70
+c1(NCC)c(cnc(Cl)c1Br)[N+](=O)[O-]	105
+c1(c(Br)cccc1C(NCC)=O)N	14
+c1([N+]([O-])=O)cc(-c2nccc(OC)c2)ccc1NCC	60
+c1([N+]([O-])=O)cc(C(=O)O)ccc1NCC	60
+c1([N+]([O-])=O)cc(N)ccc1NCC	60
+c1ccc(c(c1)Cl)C(=O)NCC	93
+c1(c2cc([N+]([O-])=O)ccc2[nH]c1)C=3CCC(CC=3)NCC	4462
+c1(F)cc(cc(F)c1)-c2c(cc(Cl)c(C)c2C(=O)NCC)C(O)C	14
+c1(ccc(C(NCC)=O)cc1O)[N+]([O-])=O	14
+Clc1c2c(nc3CN(C(=O)c13)CC)cccc2	2943
+c12c(cc(C)c(Cl)c1)OC(C3=C2CCN(CC(C)NCC)C3)=O	87
+c1(c([N+]([O-])=O)cc2c(ncnc2c1)O)NCC	8210
+c12c(nc3ccc(cc3c1Cl)C#N)CN(C2=O)CC	2943
+c1c(C)c(c(cc1C)C)Oc2nc(cc(NCC)c2C)C	105
+c1c(C)nc(CNCC)cc1	294
+c1c(F)c(c(cc1)F)Cc2c(N(CC(=O)NCC)S(=O)(=O)c3cc(OC)c(OC)cc3)c(OC)ccc2	9
+c1c(CNCC)c(C)c([N+]([O-])=O)cc1	3550
+c1c(cc(c(I)c1)CNCC)Br	42
+c1c(ccc(Sc2cc(C(NCC)=O)ccc2[N+]([O-])=O)c1F)F	93
+c1cc2-c3c(CCOc2cc1C(NCC)=O)cc(C(N(c4c(Cl)cccc4)C)=O)s3	513
+c1(ccc(Cl)nc1NCC)C(=O)O	70
+c1cc(c(cc1I)NCC)C(=O)O	60
+c1cc(cc(-c2ccc([N+]([O-])=O)cc2CNCC)c1OC)CC(OCC)=O	42
+c1cc(cc(-c2ccc(-c3cnn(C)c3)cc2CNCC)c1OC)CC(OCC)=O	42
+c1cc(cc(-c2ccc(cc2CNCC)F)c1OC)CC(OCC)=O	42
+c1ccccc1-c2cccc(C(NCC)=O)c2	513
+c1cc(ccc1)-c2nc(-c3c(ccc(CCCN)c3)Cl)nc(OC)n2	8211
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5cc(Cl)ncc5c(NCC)n4	8212
+c1ccccc1COc2c(C(C)C)cc(-c3onc(c3)C(NCC)=O)c(OCc4ccccc4)c2	780
+c1cc(ccc1)Nc2c(C(=O)NCC)cnc(NC(NCC)=O)c2	56
+c1cc(ccc1C(NCC)=O)F	93
+c1cc(ccc1C(C)C(NCC)=O)I	9
+c1cc(ccc1C#CCc2ccc3C(C)(C)CCC(C)(C)c3c2)C(=O)NCC	93
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(-n4nnc(CCNCC)c4)c3)ccc1F)F	463
+c1cc(ccc1)C(C)(C)C(NCC)C(=O)O	4024
+c1cc(ccc1)C2(C=CCC=C2)CC(C)NCC	87
+c1ccccc1COc2c(C(=O)NC(C(O)C)C(=O)NCC)ccc([N+]([O-])=O)c2	9
+c1nc(ccc1C#N)NCC	340
+c1nc(ncc1C(NCC)=O)N2CC(Oc3ccccc3OCC)CCC2	484
+n1c(c(ccc1OC)N(C(=O)c2cccnc2NCC)C)Br	70
+CCNc1c(cccn1)-c2cscc2Br	182
+C(Nc1c(c(ncn1)N)C#N)c2c(cc3c(F)cccc3n2)CN(C)CC	40
+CCN(CC)CCCc1c(ccc(N)c1)Cl	15
+Oc1nc(-c2cc(c(OC)cc2)F)cc3cc(ccc13)OC	8213
+C(C)N(CC)C(=O)c1c(c2c(c(-c3ccc(cc3)OC)c1)cccc2)OC	11
+CCN(CC)C(=O)CCc1c(ccc(c1)N)Cl	1320
+C(C)N(CC)C(=O)CN(c1ccc(cc1)C)S(=O)(=O)c2ccc(cc2OC)C	8214
+C(C)N(CC)C(C(C#N)=Cc1cc(c(c(OC)c1)O)[N+]([O-])=O)=O	2204
+CCN(CC)c1nsc(N)c1C#N	8215
+CCN(CC)C(NC1CN(C2CC3CNc4cc([N+](=O)[O-])cc(C2C1)c34)C)=O	3592
+CCN(CC)C(NC1CN(C2C(c3cc([N+](=O)[O-])cc4n(cc(C2)c34)C(=O)C)C1)C)=O	2917
+CCN(CC)C(NC1CC2c3c4c([nH]cc4CC2N(C)C1)cc([N+](=O)[O-])c3)=O	8216
+CCN(CC)C(=O)Nc1c(-c2[nH]c3c(cc(NCCN(C)C)c(F)c3)n2)[nH]nc1	747
+C(C)N(CC)C(c1c([nH]c2ccccc12)C(=O)NN)=O	2944
+CN(C)CCc1nc(c2c(occ2)c1)O	8217
+CCN(CC)C(=O)c1cc(NC(Cc2ccc(cc2)OCC)=O)c(nc1)N	8218
+C[Si](C)(C)C#Cc1cc(-c2n[nH]c(c2C)C(=O)N3CC(N(CC)CC)CC3)ccc1	263
+CCN(CC)C1CN(C(=O)c2c(c([nH]n2)-c3cc(C#Cc4ccc(F)c(c4)Cl)ccc3)C)CC1	129
+c1cc(ccc1C#Cc2cccc(-c3c(C)c(C(N4CC(N(CC)CC)CC4)=O)n[nH]3)c2)Cl	129
+CCN(CC)C1CCN(C(c2c(C)c([nH]n2)-c3cc(ccc3)Br)=O)C1	147
+CCN(CC)CCOc1c(Cl)cc(Cl)c(c1)-c2c3c(sc(C#N)c3)nc(N)n2	8
+c1cc(ccc1CNCCN(CC)CC)Cl	132
+C(C)N(CC)CCCC(Nc1ccn2c(c(-c3cccc(Cl)c3)cn2)n1)C	2673
+c1cc(ccc1)-c2cc(NC(C)CCCN(CC)CC)c3c(cccc3)n2	105
+CCN(CC)CCCC(C)Nc1nc2n(ncc2Br)cc1	2447
+c1ccccc1-c2cc3c(C(C(=O)N3)=Cc4[nH]c(c(C(=O)NCCCN(CC)CC)c4C)C)cc2	292
+CCN(CC)CCCNC(=O)c1c(c(C=C2C(=O)Nc3ccc(cc23)Br)[nH]c1C)C	292
+C(C)N(CC)CCCOc1ccc(c(F)c1)[N+]([O-])=O	126
+C(C)N(CC)CCCOc1ccc(cc1)[N+]([O-])=O	57
+CCN(CC)CCCc1c(Cl)ccc(NS(=O)(=O)c2ccc(cc2)Oc3c(C#N)c(Cl)ccc3)c1	69
+O=S(=O)(c1ccc(F)cc1CCCN(CC)CC)Nc2ccc3c(ncc4occc34)c2C(=O)O	1
+c1cc(ccc1Cl)-c2c3C(C(Nc3ccc2)=O)=Cc4c(C)cc([nH]4)C(=O)NCCN(CC)CC	292
+CCN(CC)CCNC(=O)c1[nH]c(C=C2c3c(cccc3NC2=O)-c4cc(ccc4)Br)c(c1)C	292
+c1cc(ccc1F)-c2c3C(=Cc4c(c(c[nH]4)C(=O)NCCN(CC)CC)C)C(=O)Nc3ccc2	292
+O=S(=O)(C)c1cc(C2=NC(c3ccc(Cl)cc3S2)=O)nc(c1)CCC(OCCN(CC)CC)=O	27
+CCN(CC)CCOc1c(Cl)cc(c(-c2c3c(nc(n2)N)sc(-c4[nH]nnn4)c3)c1)Cl	8219
+CCN(CC)CCOc1c(Cl)cc(c(c1)-c2c3c(sc(c3)CO)nc(n2)N)Cl	2842
+CCN(CC)CCOc1ccc(cc1)C(N)CCC	474
+CCN(CC)CCOc1ccc(cc1)C(NC(=O)CC#N)CCC	9
+CCN(CC)CCOc1ccc(cc1)C(NC(C(C#N)=Cc2nc(Br)ccc2)=O)CCC	4463
+O(C)c1c(F)c(c(F)c(OC)c1)-c2c3c(nccn3)c(C(=O)Nc4[nH]c(CN(CC)CC)cn4)cc2	8220
+C(C)N(CC)Cc1sc(-c2nc(-c3c(cc(O)cc3)OC)no2)cc1C	4464
+C(C)N(CC)Cc1sc(cc1C)-c2nc(no2)-c3cc(c(c(c3)C)N)Cl	4464
+c1cc(ccc1S(=O)(=O)NCCO)-c2nc(-c3sc(CN(CC)CC)c(C)c3)on2	8221
+O=S(=O)(C=1C=CC=2N(C=1C)C(=O)NN=2)N(CC)CC	8222
+C1CCCN1c2cc(nc(n2)N(CC)CC)NCCNC3=C(C(C3=O)=O)Nc4ccc(cc4)Cl	3626
+C(C)N(c1cc(NC(C)=O)c(N=Nc2ccc([N+]([O-])=O)cc2OC)cc1)CCO	725
+COc1nc(N(Cc2sc(Cl)nc2)CC)c(Cl)cc1	91
+CCN(c1c([N+]([O-])=O)cc(F)c(Cl)c1)C(C)=O	77
+CCN1C(C(Br)=Cc2cnc(S(C)=O)nc12)=O	172
+O=S(=O)(c1ccc(C=2C(=O)N(CC)c3nc(SC)ncc3C=2)c(c1)C)N(C)C	1597
+O=S(=O)(C)c1c(C2=Cc3c(nc(nc3)SC)N(C2=O)CC)cccc1	1597
+N1c2c(N(CC)CCC1)cccc2	15
+O=S(=O)(c1c(CNC(C2CCN(CC)C2)=O)cc(cc1)F)Nc3ccc4c(c3C(=O)OC)OCC5CC45	9
+N1(CCCC1CNC(=O)c2c(OC)c(Br)cc(c2OC)Cl)CC	14
+c1cc(ccc1C(=O)NCC2CCCN2CC)Cn3c4ccccc4nc3Cc5c(cccc5Cl)Cl	14
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCCN5CCN(C(=O)C5)CC)CC2	8223
+c1([N+]([O-])=O)ccc(N2CC(N(CC2)CC)=O)c(F)c1	3518
+c1cc(ccc1)OC(Nc2cc(c(cc2F)F)C3=Cc4cnc(NC(CC#N)=O)cc4N(C3=O)CC)=O	90
+CCN1c2nc(F)ccc2N(C)C(c3c1ncc(c3)CCOc4cc[n+]([O-])c5c4cccc5)=O	924
+O=S(=O)(c1cc2c(OCCC2CNC(N3CC(=C(CC)C3=O)C)=O)cc1OCC)NC(=S)NCC	8224
+c1cc(ccc1SC(CC)C)OCCOC(=S)NCC	8225
+COc1nnc(-n2nc(cc2-c3ccc(cn3)C#N)C(=O)N(C)CC)cc1	147
+c1cc(CN(CCCn2c3c4c(cccc4)nc(N)c3nc2CCCC)CCCN(CC)C)cc(CC(OC)=O)c1	53
+c1c2c(ccc1)C(=O)N(C2=O)Cc3nc4cccc(c4cc3CN(C)CC)F	565
+c1cc(ccc1)Nc2c(C(=O)OCC)cnc(NC(=O)NCC)c2	2077
+c1sc(nc1-c2cnn(C)c2)-c3c(cnc(NC(NCC)=O)c3)Br	8226
+c1c(OC)cc(cc1-c2c(sc(NCC)n2)-c3nc(ncc3)Cl)OC	4465
+CCNC1CCc2ncsc2C1	2190
+c1ccccc1-c2cc3c(nc(-c4ccccc4)cn3)c(c2O)C(=O)NCC(OCC)=O	2485
+c1cc(ccc1)-c2c(nc3ccc(c(C(NCC(=O)OCC)=O)c3n2)O)NCc4ccccc4	2485
+CCN(N)C(Nc1sc(C)nn1)=O	2551
+Clc1cc(ccc1)NC(=O)N2Cc3c(CC2)[nH]nc3C(N(OC)CC)=O	1006
+c12n(cnc1c(Cl)ncc2)CC	919
+CCNc1c(N)c(Cl)ncc1	13
+CCNc1ccnc(Cl)c1[N+](=O)[O-]	4466
+CCNc1c(N)cccn1	13
+COc1cc(Cl)c(cc1Br)C(=O)O	329
+C(Cc1c2ccc(cc2oc1)OC)(OCC)=O	8227
+c1(c2CC(c3c(Sc2ccc1)ccc(OC)c3)=O)C(=O)O	329
+C(C)OC(c1c(ccc(OC)c1)Br)=O	47
+C(Cc1c([N+]([O-])=O)cccc1OC)(OCC)=O	2061
+Cc1c(COc2nnc(cc2)C(=O)OCC)c(no1)-c3cc(F)ccc3	2945
+Cc1c(cc2ccc(cc2n1)O)C(=O)OCC	342
+c1(C(=O)C)c(ccc(C)c1)OCC	126
+C(C)OC(c1c[nH]c(C(=O)C)c1)=O	4467
+Clc1cc(Cl)c(cc1)C2C(c3ccccc3C(=O)N2C4CCCCC4N)C(=O)OCC	456
+Clc1cc(c(C)cc1)C(=O)OCC	1533
+Clc1cc(ccc1)Nc2nc(-c3cc(ncc3)C(=O)O)ncn2	1696
+Clc1ccc(Cl)c(c1)CC(=O)O	270
+Clc1ccc2SCCC(C(OCC)=O)c2c1	27
+Clc1cccc(-c2cccc3NC(=O)Cc23)c1	1052
+Clc1cn(nc1)-c2ccc(C(C)C(OCC)=O)cc2Cl	27
+n1c(cccc1OCC)N	91
+CCOC(=O)c1ccnc(Cl)n1	226
+C1CCCCC1Cn2c3c(cccc3Cl)c(C(O)=O)c2	4468
+FC(F)(F)C(C)CCC(O)=O	270
+FC(F)(F)C(F)(F)c1ccc(cc1)C(=O)O	329
+FC(F)(F)C1Oc2c(COCC)cc(C)cc2C=C1C(=O)OCC	8228
+FC(F)(F)CC(C)(C)CC(=O)O	270
+FC(F)(F)Cn1c2c(c(C(O)=O)c1)c(ccc2)Cl	4468
+FC(F)(F)Oc1cccc(c1)C(=O)OCC	47
+FC(F)(F)Oc1cc(cc(Cl)c1)CC(OCC)=O	27
+FC(F)(F)Oc1ccc(cc1)-c2cc(CC(O)=O)n(n2)C	270
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C3CCCCC3)n2)Cc4ccc(cc4)C(=O)O	329
+FC(F)(F)c1cccnc1OCC	91
+FC(F)(F)c1ccc(cc1[N+](=O)[O-])C(OCC)=O	47
+FC(F)(F)c1cc(-n2c(C)ccc2C)c(nc1OCC)C(OC)=O	2055
+FC(F)(F)c1cc(C(=O)O)cnc1N2CCOCC2	2160
+FC(F)(F)c1cc(C(C(OCC)=O)CC(C)C)ccc1[N+]([O-])=O	27
+FC(F)(F)c1cc([N+](=O)[O-])c(Cl)c(C(=O)OCC)c1	279
+FC(F)(F)c1cnc2sc(-c3ccncc3OCC)nc2c1	870
+FC(F)(F)c1ccc(cc1)-c2nn(C)c(CC(O)=O)c2	270
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)CC(O)=O	8229
+FC(F)(F)c1ccc(cc1)CNC(c2c(ccc(CC(O)=O)c2)OC)=O	4308
+FC(F)(F)c1cc(ccc1)N2C(C(C(OCC)=O)CC2)=O	8230
+FC(F)(F)c1cccc(c1)Nc2nc(-c3ccnc(C(=O)O)c3)ccn2	1696
+FC(F)(F)c1c(Br)c(ncn1)OCC	145
+FC(F)Oc1c(ccc(c1)CC(OCC)=O)Cl	27
+FC(F)Oc1ccc(CC(OCC)=O)cc1OC	27
+Fc1cc(c(F)cc1C)C(OCC)=O	47
+O=C(OCC)Cc1ccccc1F	27
+CCOC(c1cc(I)c(O)nc1)=O	342
+CCOc1c(C#N)cc(c(C)n1)[N+](=O)[O-]	91
+Clc1c(C(=O)O)cc(Br)c2c1CC(C)O2	329
+N1(C(=O)C)c2cc(C)cc(C)c2C(CCC(OCC)=O)C1	456
+CCOC(c1cccnc1N)=O	342
+c1(cc(Cl)c(N)cc1OC)C(=O)OCC	47
+C(Cc1ccc(N)cc1F)(OCC)=O	456
+C(C)OC(c1c(ccc(N)c1)O)=O	47
+Nc1cc(OC)c(cc1F)C(=O)O	329
+C(C)OC(=O)c1ccc(N)c([N+]([O-])=O)c1	1533
+Nc1cccc(c1C(=O)OC)F	8231
+CCOC(=O)c1c(N)cccn1	226
+O=C(O)C1CC=C(CC1)c2ccc(c3OCCOc23)OC	270
+S1c2cc(ccc2C=Cc3c1ccc(F)c3)C(=O)O	329
+c1(-c2cn(Cc3ccccc3Cl)cn2)nccc(C(=O)O)c1	329
+c1cc(cc(Oc2c(CC(O)=O)cccc2)c1)F	270
+c1(c(c(C)ccc1)OCC(=O)O)COCCCNc2ccc3c(cccc3)n2	270
+c1(c2ccc(cc2c(nn1)Cc3ccc(c(c3)C(=O)O)F)Br)O	329
+c1(c2cccc(Cl)c2c(nn1)Cc3ccc(c(c3)C(=O)O)F)O	329
+C(c1ccnc(N2NC=C(c3cnccc3)C2=O)c1)(=O)O	329
+C(c1cc2c(cc1)c[nH]n2)(=O)O	329
+c1c(Cl)c(Oc2c(cccc2)C(=O)O)ccc1Cl	329
+c1(F)cc(cc(F)c1)Oc2cc(cc(c2)C(=O)O)OC(COC)C	329
+c1c(c(Nc2cc(C(=O)O)ccc2[N+]([O-])=O)ccc1F)F	329
+c1c(ccc(c1Cl)Cl)CCCC(=O)O	270
+C(c1ccc(Cl)c(c1)C(=O)O)C(=O)O	270
+c1cc(ccc1)-c2c3c(no2)cc(cc3)CC(=O)O	270
+c1ccccc1C(c2ccccc2)N3CC(C3)(C(O)=O)NCc4ccccc4	270
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)C(c4cc(F)cc(c4)C(=O)O)C(C)(C)F	329
+c1cc(ccc1)COc2c(ccc(CC(O)=O)c2)Cc3ccc(cc3)CC	270
+c1ccccc1Cc2ccccc2CC(=O)O	270
+c1cc(ccc1)Oc2c(c(CC(O)=O)ccc2)OC	270
+c1cc(ccc1C(C2CCC2)=O)CC(O)=O	270
+c1cc(ccc1Sc2c(nc(N)nc2C)NCCCC)CC(O)=O	270
+c1cc(ccc1CN(C)CCc2cnn(-c3nccc(C(=O)O)c3)c2)F	329
+c1cc(ccc1Cl)Cn2c3c(nc(C(=O)O)nc3nc2-c4c(ccc(C)c4)OCCC=C)NC(C)C5CC5	8232
+c1cc(ccc1)-c2c(c(C(O)=O)ccc2)F	329
+c1ccccc1-c2ccnn2-c3cc(ccn3)C(O)=O	329
+c1cc(ccc1)C(CC(O)=O)Cc2cccc(OC)c2OC	270
+c1ccccc1C(c2cc(ccc2)OC)CCC(O)=O	270
+c1ccccc1CCOc2ccc(cc2CCCC(=O)O)Cl	270
+c1ccccc1COc2ccc3c(cc(cc3)C(=O)O)c2	329
+c1cc(ccc1)COc2nn(Cc3ccccc3)cc2CC(=O)OCC	2418
+c1ccccc1Nc2cnc(cc2)C(O)=O	1696
+c1ccccc1Sc2ccc(cc2CC(=O)O)F	270
+c1nc2Nc3cc(ccc3Sc2nc1)CC(O)=O	270
+C(c1nc(C)ccc1Cl)(=O)O	1696
+C(OC(CC(c1cccc(c1)F)=O)=O)C	4469
+Clc1cc(F)c(cc1)C(CC(OCC)=O)=O	4469
+O1c2c(ccc(C=3CCC(C(OCC)=O)CC=3)c2OCC1)OC	456
+c1(ccc(cc1Cl)NCC(=O)OCC)Cl	27
+CCOC(c1cc(c(F)c(F)c1F)F)=O	47
+CCOC(=O)c1cc(c(c(OC)c1F)F)F	47
+CCOC(c1c(O)c(O)c(Br)cc1)=O	47
+O=C1CC(CC(=C1)OCC)c2ccccc2O	8233
+c1[nH]c2c(c1CCC(OCC)=O)cc([N+]([O-])=O)cc2	2198
+O=Cc1ccccc1OCC(=O)OCC	27
+c1(C)c(ncc(c1)[N+](=O)[O-])C(OCC)=O	4470
+c1(C)cc(ncc1[N+](=O)[O-])C(OCC)=O	4470
+c1cc(ccc1)C(C(=O)OCC)CC=C	1838
+c1ccccc1CCCN(Cc2cccc(c2)-c3cnc(C(=O)OCC)cc3)C	8234
+C(OCc1ccc(nc1)C#N)C	8235
+Cn1ncc2CCc3c(c(sc3C(=O)OCC)OCC)-c12	8236
+O=S(=O)(c1sc2ccc(cc2c1)CS(=O)CCN(C)C)N	8237
+c1(C(C(OCC)=O)C)ncccc1Cl	4471
+c1cc(ccc1)-c2c(c(on2)C)COc3ccc(nn3)C(=O)OCC	2945
+c1cc(ccc1-c2nnn(C)c2COc3ccc(C(=O)OCC)nn3)F	2945
+Oc1c(CNC(C(=O)OCC)CO)cccc1	27
+c1c(O)c(c(cc1C(=O)OCC)O)Br	47
+c1(OCC)cc(C)[n+]([O-])c(Br)c1	1210
+[N+](c1cc(c(F)cc1F)CC(=O)OCC)([O-])=O	27
+CCOC(=O)c1n[nH]cc1[N+](=O)[O-]	226
+C(C)OC(=O)c1cc(nc(Cl)c1)N	47
+c1(C)cc(C(OCC)=O)cnc1N2CC(C)NCC2	342
+c1(CCC)c(O)c(cc2c(NCC)cc(nc12)C(=O)OCC)C(=O)C	226
+O(c1c(c(C)c(Cl)nn1)C)CC	485
+n1c2c(cc(c(F)c2)F)c(O)c3c(C)nn(-c4ncccc4)c13	8238
+c1([N+]([O-])=O)cc(c(Cl)cc1F)CC(OCC)=O	27
+Clc1ccc(Nc2c3cc([N+]([O-])=O)c(OCC)cc3ncn2)c(F)c1Cl	724
+c1c(c(cc(c1)Nc2c3cc([N+]([O-])=O)c(OCC)cc3ncn2)Cl)OCc4cccc(F)c4	724
+c1ccc(cc1C#C)Nc2c3cc([N+]([O-])=O)c(OCC)cc3ncn2	724
+C(Cc1c(Cl)ccc([N+]([O-])=O)c1)(OCC)=O	27
+C(C)OC(c1ccc([N+]([O-])=O)cn1)=O	226
+C(C)OC(c1cnc2c(ccc([N+]([O-])=O)c2)n1)=O	1910
+CCOC(c1[nH]nc(c1)[N+](=O)[O-])=O	226
+C(C)c1c(cccc1)CC(=O)O	4472
+c1(c(F)c(-c2cccc3NC(=O)Cc23)ccc1)F	1052
+c1(c2c([nH]c3c(nc(Cl)nc23)OCC)cc(c1)Br)OC	3717
+c1c2c(ccc1O)c(ccc2)C(=O)OCC	47
+C(C)OC(c1cc(c(N)cc1[N+]([O-])=O)O)=O	47
+c1(cc(cc(C)c1[N+](=O)[O-])COCC)C	149
+c1(cc(ccc1)O)C(NC)CC(OCC)=O	456
+c1cccc(c1OCCC)-c2nc(cc(n2)O)C(=O)OCC	226
+c1(cc2c(cc1O)OCCC2C(OCC)=O)Cl	27
+CCOC(c1cc[nH]c1)=O	342
+c1(ccc(c(c1F)F)C(OCC)=O)F	47
+C(C)OC(=O)c1ccc([N+]([O-])=O)cc1F	47
+c12c(nc(nc1OCC)N)nc[nH]2	3722
+c12c(c(ccc1C(=O)OCC)N)OCCO2	47
+c12[nH]cnc1ccc(c2)C(=O)OCC	47
+c12nc(nc(c1c(n[nH]2)SC)OCC)Cl	2557
+c1ccc2NC(=O)Cc2c1-c3cc(ccc3)Br	1052
+c12c(ccc(OCC)c1)CCC2CCNC(C)=O	126
+c12c3c(ccc1cccn2)c(cc(C)n3)OCC	260
+c1c2c(cccc2)cnc1OCC	91
+C1(Nc2cccc(-c3ccccc3F)c2C1)=O	1052
+c1c(Br)c(CC(OCC)=O)cc(O)c1F	27
+C(C)OC(c1cccc(O)c1C)=O	47
+CCOC(c1c(cccc1)Oc2cc(ccc2)F)=O	47
+c1c(Br)c(F)ccc1C(=O)OCC	47
+n1c2c(ncc1)cc(C)c(Br)c2	8239
+c1c(C)nc(cc1)-c2[n+]([O-])c(C)cc(OCC)c2	1210
+c1c(cc(C)c(c1)C(=O)OCC)Br	47
+C(=O)(Cc1ccc(c(c1)OC)Oc2c([N+](=O)[O-])c3c(nccc3)cc2)OCC	456
+c1c(cc2c(c1)nc(NC)nc2OCC)Br	145
+c1c(C(C)C(OCC)=O)ccc(N)c1[N+]([O-])=O	27
+C(C)OC(C=1Sc2ccc(cc2C(=O)C=1)O)=O	8240
+C(OC(CCc1cc(ccc1)O)=O)C	27
+C(OC(CCc1cc2c([nH]1)c(F)cc(c2)Br)=O)C	27
+c1c2c([nH]cc2CCC(OCC)=O)ccc1	27
+c1(OCC)c2n(c3ccccc3n1)ncc2C(=O)OCC	8241
+c1c2c(n[nH]c2CC(=O)OCC)ccc1	27
+c1c2c(oc1CCCCBr)cc(cc2)C(=O)OCC	47
+c1(ccc2cc(ccc2n1)O)C(=O)OCC	226
+c1(-c2cc(cc(-c3ncccc3)n2)OCC)ncccc1	260
+C(OCc1ccc(c(C#N)c1)OC)C	555
+c1cc(F)cc(-c2cccc3NC(=O)Cc23)c1	1052
+O(c1nc(NC)c(cc1)[N+]([O-])=O)CC	91
+c1cc(cc(c1OC)F)C2C(CC(=O)O)C2	4472
+c1ccccc1-c2cc3cccc3oc2CC(OCC)=O	27
+c1cc(ccc1)-c2ccc(C(C(OCC)=O)C)cc2F	27
+c1cc(ccc1)C(c2ccccc2)C3CCN(CC3)C(=O)COCC(=O)OCC	27
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)C(C(C)(C)F)c4cc(cc(c4)F)C(=O)OCC	47
+C1CN(CCC1(C(OCC)=O)Nc2cc(C)ccc2)Cc3ccccc3	27
+c1cc(ccc1)Cc2cnc(C(=O)OCC)cc2	8242
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3cccc(c3)C(C4CC4)CC(=O)OCC	2198
+c1cc(ccc1Cn2c3c(C(=O)OCC)cccc3nc2OCC)-c4c(C#N)cccc4	8243
+c1cc(ccc1F)-c2cccc3NC(=O)Cc23	1052
+c1cc(ccc1-c2c3c(ccn2)c(CC(OCC)=O)ccc3)[N+](=O)[O-]	27
+c1cc(ccc1-c2oc(-c3ccccc3[N+](=O)[O-])nn2)C(OCC)=O	47
+c1cc(ccc1Br)-c2c(CC(=O)OCC)c(C)no2	27
+c1cc(ccc1Br)C(C(=O)OCC)(N)C	27
+c1cc(ccc1C(C)OCC)C(=O)OC	2774
+c1cc(ccc1C(=O)c2ccc(OCC(=O)OCC)c(Cl)c2Cl)O	27
+c1cc(ccc1C(=O)OCC)C#N	47
+c1cc(ccc1Cl)C(CC(OCC)=O)c2c3cccc(CSCC)c3[nH]c2	2198
+c1cc(ccc1CC2(CC(OCC)=O)CCCN(C(C)=O)C2)C	4282
+c1cc(ccc1Br)CCc2c(C(=O)OCC)cccc2	8244
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(OCC)n3)OC	91
+c1cc(ccc1CN(Cc2n(ccn2)C)Cc3[nH]ccn3)CN(CCC(=O)OCC)CCCCN(CCC)CCC	456
+c1cc(ccc1-c2c3c(NC(=O)C3)ccc2)Cl	1052
+c1cc(ccc1F)-c2c(c(nc(c2C(OCC)=O)C(C)C)C(C)C)COCC	8245
+c1cc(ccc1-c2ccc3c(c(OCC)ncn3)c2)F	145
+c1cc(ccc1OCC)C(C2CCN(CC2)CC(O)=O)=O	57
+c1cc(ccc1F)C(c2ccc(cc2)F)(CCCBr)C(OCC)=O	204
+c1cc(ccc1CC(OCC)=O)I	27
+c1cc(ccc1N2CC(CC2=O)C(OCC)=O)F	27
+c1cc(ccc1Nc2ncnc3cc(OCC)c([N+]([O-])=O)cc23)Oc4ccccc4	724
+c1cc(ccc1O)CC(OC)C(OCC)=O	27
+c1cnccc1-c2c3CC(Nc3ccc2)=O	1052
+c1cc(ncc1Br)CNC(CCC(OCC)=O)=O	27
+CCOC(=O)c1n[nH]c2c1cccn2	226
+c1cc2c(c(OCC)c(C#N)cn2)cc1I	260
+c1cc(ccc1)C(c2ccccc2)(C(C(OCC)=O)O)C	4473
+c1ccccc1C=2CCN(CC=2)CCCCc3c[nH]c4ccc(cc34)C(=O)OCC	47
+c1cc(ccc1)CC(O)C(=O)OCC	27
+c1ccccc1CCCC(C(OCC)=O)C	27
+c1cc(ccc1)CN2C(C(OCC2=O)C)C(=O)OCC	27
+c1ccccc1CN2CCC(CC2)N(C)CC(OCC)=O	27
+c1ccccc1COCCC(C2OCCO2)CCCO	8246
+c1ccccc1COc2cnc(C(OCC)=O)cc2O	226
+c1cnccc1N2CCC(CC2)C(=O)OCC	27
+CCOC(=O)c1nn2C(=S)Nc3c(cccc3)-c2c1	226
+n1c(N)nn2cc(-c3cc(ccc3)C(=O)OCC)ncc12	47
+n1cccnc1-c2c(C(N3CC(CCC3C)Oc4cc(OCC)ccn4)=O)ccs2	2467
+c1cc(c(c(F)c1F)COc2cc(c(Cl)cc2OC)Nc3c(c(ncn3)OCC)[N+]([O-])=O)OC	145
+n1n2c(N)nnc2c(c(CC)c1OCC)C	485
+n1nccc(C(OCC)=O)c1N	342
+OB(O)c1cc2c(CCC2)cc1OC	3358
+c1cc(C(=O)OC)cc2OCCc3c(-c12)sc(c3)C(N(c4c(Cl)cccc4)C)=O	8247
+c1cc(ccc1)CN2CCC(CC2)(O)C(OC)=O	8248
+c1(C)cc(cc(C)c1C(C(=O)C)C#N)Cl	1260
+c1cc(ccc1)CN2C3CC(CC(OCC)=O)(CC2C(F)(F)C3)O	3601
+c1cc(ccc1C2C(C2)CC(=O)O)Br	4292
+c1nc(C(=O)C)ccc1C	8249
+c1c(F)c(c(cc1)F)C(C#N)C(C)=O	1260
+c1c(F)c(c(cc1OC)F)C(C(C)=O)C#N	1260
+c1cc(ccc1)C(Cc2ccc(cc2)OC)(CC(OCC)=O)O	3660
+c1cc(ccc1Cl)Nc2ncc(cc2Cl)C(=O)CC(=O)C	2201
+c1cc(ccc1C(CC(=O)C)=O)F	2201
+c1cc(ccc1F)CCN2CCC(CC2)N3c4cc(C(C)=O)ccc4CC3	8250
+c1ccccc1-c2cc(c(C)cc2)C=O	8251
+Fc1cccc(F)c1COc2cccc3c(C(OCC)=O)c(C)nn23	2169
+O=S(=O)(C)c1ccc(Oc2cc3cc([nH]c3c(OC)c2)C4=NCC(S4)CC(=O)OCC)cn1	892
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c([nH]c(C4=NCC(S4)CC(=O)OCC)c3)c(c2)C	892
+O=S(=O)(c1ncc(Oc2cc3c([nH]c(C4=NCC(S4)CC(=O)OCC)c3)c(c2)OCC)cc1)C	892
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C=4SC(CN=4)CC(=O)OCC)[nH]3)c2)CC)cn1	892
+O=S(=O)(N(C)c1cccc2c1[nH]c(C3=NCC(CC(=O)OCC)S3)c2)c4cccs4	892
+O=S(=O)(N(c1c2[nH]c(cc2ccc1)C=3SC(CN=3)CC(=O)OCC)C)c4ccccc4OC	892
+O=S(=O)(N(C)c1ccc(c2c1[nH]c(C=3SC(CC(=O)OCC)CN=3)c2)C)c4cccs4	892
+Cc1c(nnn1-c2cc(Cl)c(F)cc2)C(=O)OCC	8252
+c1c(OC(=CC(OCC)=O)C)c2c(cccc2)cc1	8253
+CCOC(=O)c1c(C)onc1-c2c(cccc2)F	2366
+c1cc(ccc1F)-c2c(c(on2)C)C(OCC)=O	2366
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(cc([nH]3)C4=NCC(S4)CC(=O)OCC)c2	8254
+c1cc(ccc1S(=O)(=O)C)Oc2cc3c([nH]c(c3)C4=NCC(S4)CC(=O)OCC)c(OC(C)C)c2	892
+c1cc(ccc1)COc2cc(C)cc3c(C(=O)OCC)c(C)nn23	2169
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)C(=O)OCC	4474
+c1cc(ccc1Cl)-c2nc(sn2)C(=O)OCC	4474
+C(OCC)(=O)C(=CNc1ccccc1C(C)=O)C(CCC)=O	8255
+O=C(OCC)C(C(=O)OCC)(NC(C)=O)CCc1ccc(cc1)Sc2ccccc2	165
+C(C(C)C(OCC)=O)c1c(cccc1)-c2ccccn2	8256
+O(C(=O)C(C(OCC)=O)(Cc1ccc(cc1)Br)C)CC	8257
+c1cc(ccc1-c2ccc(cc2)OCc3ccccc3)CC(C(OCC)=O)C(OCC)=O	11
+CC(C)CC(C(=O)OCC)c1cc(c([N+]([O-])=O)cc1F)F	4475
+C(C)OC(=O)C(C(=O)OCC)(CC(=O)c1ccc(c(F)c1)C)O	8258
+CC(C)CC(C(=O)O)C(OCC)=O	3
+CC(C)CC(C(O)=O)C(O)=O	8259
+CCOC(=O)C(C(OCC)=O)(CC(C)C)c1c(cc(c(F)c1)[N+](=O)[O-])F	8260
+O=C(OCC)C(C(=O)OCC)CCCOc1cc(ccc1)C#CCCCCCC	20
+O(CC)c1c(c(ccc1)F)C2CC(C(=O)N2Cc3cccc(-c4nc(Cl)cs4)c3)C	1737
+Fc1c(Oc2c(OC)c(ccc2)C(C)C(O)=O)cccc1	3
+c1([nH]nc(C(C(=O)O)C)c1)C	3
+FC(F)(F)c1cc(Cl)n(CC=2N=C3N(C(C(C(=O)OCC)C)=C(C)S3)C(C=2)=O)n1	8261
+c1c2ncc(C(=O)OCC)n2ccc1OCCOC	2936
+c1cc2ncc(n2cc1Br)C(=O)OCC	2936
+CCOC(=O)C(CC=O)C	465
+c1([N+]([O-])=O)cc(c(Cl)cc1F)OC(C(OCC)=O)CCBr	289
+c1cc(ccc1OCc2n(CCC(C(OCC)=O)C)c3cccc(C)c3n2)Cl	656
+Clc1cc(cc(Cl)c1)C=2CC(ON=2)(C(OCC)=O)CO	8262
+FC(F)(F)Oc1ccccc1-c2cccc(-c3nc(C(OCC)=O)sc3)c2	2946
+c1(csc(C(=O)OCC)n1)-c2cc(Br)c(c(Br)c2O)O	2946
+Cc1c(sc(C(=O)OCC)n1)Cc2cc(ccc2)Br	8263
+c1c(cc2-c3nc(C(=O)OCC)sc3CCOc2c1)Br	8264
+c1cc(ccc1C(O)=O)-c2csc(n2)C(OCC)=O	2946
+N(C(c1sccc1)=O)C(C(OCC)=O)C	8265
+CCOC(=O)C(OCC)N1C=CC=C(N)C1=O	8266
+c1cc(ccc1)NC=2C(=O)N(C(C(OCC)=O)OCC)C=CC=2	8267
+OC(C(C)c1ccc2NC(=O)Nc2c1)=O	3
+c1(N)c(c2c([nH]1)cncc2)C(OCC)=O	8268
+N(=C(C(=O)O)c1csc(N)n1)OCC	3
+FC(F)(F)Cc1ccc(cc1)N2C(C3(CC(=O)NCC3)CC2)=O	2007
+FC(F)(F)Oc1ccc(cc1)N2C(C3(CC(=O)NCC3)CC2)=O	2007
+c1cccc(N2N(C)C=C(C(=O)O)C2=O)c1OC	108
+O=S(=O)(C)CCCOc1cc(c(cn1)-c2ccc(F)c(COc3ncc4C5C(C5C(OCC)=O)Cc4c3)c2)C	1424
+c1c(C)c(c(cc1)C)-c2nc(COc3ncc4C5C(C(OCC)=O)C5Cc4c3)c(F)cc2	8269
+C1(C(OCC)=O)CCc2c3cc(ccc3[nH]c12)Br	8270
+CCOC(=O)C1=CN(N(c2c(cccc2)OC)C1=O)C	8271
+N1(c2ccccc2N=C(C(O)=O)C1=O)CCO	3
+C=1(CO)CCCC=1c2c(cccc2)F	2947
+c1cc(c(cc1CN2CCOC(C2)CNC(=O)CSc3nc(cs3)C(=O)OCC)Cl)Cl	8272
+O(C(CCNC(C)CC(=O)OCC)=O)CC	1340
+C(OC(C=Cc1cnc(N)c(C(OCC)=O)c1)=O)C	1953
+c1cc(ccc1OCC2(CC(C)C)Oc3c(c(C)c(OC(C)=O)c(C)c3C(=O)C2)C)CC(C(=O)OCC)Cl	1659
+c1cc(ccc1CC(C(=O)OCC)Cl)OCC2(CCc3c(C)c(OC(C)=O)c(c(C)c3O2)C)C	1659
+c1cc(ccc1OCC2(Oc3cc(Cl)c(cc3C(C2)=O)OC(C)=O)C)CC(Cl)C(OCC)=O	1659
+CC1(C)C(N(C)c2cc(C=CC(=O)OCC)ccc2N(CC)C1=O)=O	8273
+FC(F)(F)c1c(F)cc(-c2cc(c(N)c(c2)C=CC(OCC)=O)F)cc1	233
+FC(F)(F)c1c(cc(c(C=CC(=O)OCC)c1)N)F	233
+FC(F)(F)c1cc(c(C=CC(OCC)=O)cc1)Cn2nc(nn2)C	233
+c1(C)cc(C=CC(OCC)=O)cnc1Br	4476
+c1(F)c(Br)cc(C=CC(OCC)=O)c(N)c1	3998
+O(CC)C(C=Cc1ccc(N)cc1F)=O	233
+c12c(CCN(CC1)C(OCC)=O)cc(C=CC(OCC)=O)c(N)c2Cl	233
+O(CC)C(C=Cc1cc(c(c(F)c1)F)O)=O	233
+O(CC)C(C=Cc1cc2CC(CCCc2cc1)=O)=O	233
+O(CC)C(C=Cc1ccc(cc1C)F)=O	233
+c1cc(ccc1C=CC(=O)OCC)-c2csc(N)n2	233
+c1cc(ccc1C#N)C=CC(=O)OCC	233
+O(CC)C(C=Cc1ccc(nc1)Cl)=O	4476
+c1ccccc1CNc2c(c(nc(N)n2)C)C=CC(=O)OCC	4349
+c1cc(ccc1)OC(=CC(OCC)=O)C	8274
+c1c(c(cc(F)c1N)C(=CC(OCC)=O)C)F	8275
+CCOC(=O)C=Cc1c(CC#N)cccc1	163
+c1(c(cccc1)CCC(OCC)=O)CC#N	159
+Oc1nc2c(cc1)cnc(Br)c2	8276
+c1cc(CCC(OCC)=O)c(C)cc1Oc2cc(OC)ccc2C	159
+c1(C=CCO)c(cccc1)Br	4216
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(OCC)=O)=O	14
+O=S(=O)(c1cc2c(ncnc2O)cc1)n3cc(cc3)C=CC(=O)OCC	917
+c1c(OC)ccc(CCC(OCC)=O)c1OC	159
+c1nc2c(nc1O)ccnc2Cl	8277
+C(OC(CNc1c(cc(Cl)c(I)c1)OC)=O)C	4477
+c1(F)cc(cc(F)c1C(C(OCC)=O)O)OCC	4478
+O=C(CNc1c(O)cc(c(Cl)c1)Cl)OCC	4477
+O(C(=O)C(O)c1c(O)ccc2ccccc12)CC	4478
+c1cc(ccc1)COC(=O)Nc2cc3[nH]c4c(c3cc2)c(-c5ccccc5F)cnc4C(OCC)=O	8278
+c12nc(C(OCC)=O)n(CCCCCCCCCCCCCCCCCC)c1cccc2	8279
+c1c(OC)ccc2c1n(CC(OCC)=O)c3CCCC(=O)c23	256
+C(OC(Cn1c(cc2cc([N+]([O-])=O)ccc12)C)=O)C	256
+Clc1cc(-n2c3c(cc(OC)cc3)cc2)c(NCC(OCC)=O)cc1	1230
+Clc1cc(c(NCC(OCC)=O)cc1)Oc2ccc([N+]([O-])=O)cc2Cl	1230
+Clc1ccc(CNC(=O)c2c(nn(CC(=O)OCC)c2)OCC)c(Cl)c1	764
+c12c(ccc(Cl)c1)CC(N(CC(=O)OCC)CC2c3ccccc3Br)=O	584
+FC(F)(F)COCCOCCOCCOCCOCCOCCOCC(OCC)=O	337
+FC(F)(F)COc1c(OCC(=O)OCC)cccc1	52
+FC(F)(F)c1c(c2c(c(ccc2)-c3c(C)n(C)nc3C)n1CC(OCC)=O)CCCOc4cc(C)c(c(c4)C)Cl	256
+FC(F)(F)c1c2CCN(CC(=O)OCC)Cc2n(CC(Nc3c(OC)ccc(Cl)c3)=O)n1	303
+FC(F)(F)c1cc(n(n1)CC(OCC)=O)Cl	764
+FC(F)(F)c1ccc(cc1)-c2sc(c(n2)C)CCC(=O)c3cc(C)c(cc3)OCC(OCC)=O	52
+FC(F)(F)c1n(nc(-c2cc([N+](=O)[O-])c(OCC(OCC)=O)cc2F)c1Cl)C	52
+FC(F)(F)c1nn(c(c1)-c2ccc(cc2)Br)CC(OCC)=O	764
+FC(F)(F)c1scc(C(CN(C(C)Cc2ccc(cc2)OCC(OC)=O)CC(=O)OCC)O)n1	303
+FC(F)Oc1c(c(c(cc1)Br)OCC(=O)OCC)OC	52
+c1cccc(c1OCC(OCC)=O)Oc2c(Cl)cc(F)c(NC(=O)C)c2	52
+c1(F)cc(OCC(=O)OCC)c(cc1C)C(NCc2c(cc(cc2)Br)F)=O	52
+C(OC(CN1CCCCC1C)=O)C	303
+c1(cc(Cl)c(cc1)Br)NCC(OCC)=O	1230
+O(c1cc(cc(OC)c1)OCC(=O)OCC)C	52
+c1cc(C)cc(C=O)c1OCC(OCC)=O	52
+O=Cc1cc(c(OCCCC)c(Cl)c1)OCC(OCC)=O	52
+O=S(=O)(N(c1ccc(Cl)cc1C(c2c(cccc2)Cl)O)CC(OCC)=O)c3ccc(c(OC)c3)OC	4071
+O=S(=O)(NCCc1c(cc(cc1)-c2ccccc2S(=O)(=O)C)OCC(=O)OCC)c3cc(ccc3OC)C#N	52
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(ccc13)OCC(OCC)=O)C	52
+[N-]=[N+]=NC(OCCOCC(OCC)=O)COc1cccc(C(=O)O)c1	337
+[N-]=[N+]=NC1CCc2ccc(OC)cc2N(C1=O)CC(OCC)=O	933
+c1cnn(c1C(=O)c2c(Cl)c(Cl)c(c(CC=C)c2)OCC(=O)OCC)C	52
+C(OC(COc1c(Cl)cc(CO)c(c1)OC)=O)C	52
+C(OC(COc1cccc(I)c1)=O)C	52
+c1cc(c(c(F)c1OCC(OCC)=O)NCc2c(OC)c(cc(-c3cc(F)ccc3)c2)C)F	52
+c1cc(c(c(F)c1OCC(OCC)=O)NCc2c(c(cc(-c3cc(F)ccc3)c2)C)C)F	52
+c1(cc(cc(C)c1N=C2N(C)C(N(C)C(=C2)c3ccc(c(OC)c3)OCC(OCC)=O)=O)C)C	52
+c1c(C)c(c(cc1C(c2sccc2)=O)C)OCC(=O)OCC	52
+c1(C=O)cccc(OCC(OCC)=O)c1	52
+C(n1c(cc(n1)CC)CC)C(=O)OCC	764
+c1(ccc(cc1Cl)C(O)(CC(OCC)=O)CC)Cl	2040
+c12cc(sc1c(Cl)c(Cl)c(OCC(=O)OCC)c2)C(O)C	52
+C(c1n(CC(OCC)=O)c2cc(cc(C)c2n1)Br)CC	1457
+c12c(nn(c1C(C3CC23)OCOC)CC(OCC)=O)C(=O)N	764
+c1c2c(ccc1OCC(OCC)=O)ncn2C	52
+c12c(cc(Cl)c(Cl)c1)OCC(=O)N2CC(=O)OCC	933
+c1c(C)c(c(cc1)C)-c2cc(COc3ccc4c(ccn4CC(OCC)=O)c3)ccc2	256
+Cc1cc(cc(C)c1OCC(OCC)=O)Br	52
+c1cc(cc(C)c1OCC(OCC)=O)CO	52
+c1cc(ccc1OCC(OCC)=O)-c2cc(Cl)c(c(Cl)c2)CC3CCN(C3=O)C4CCCCC4	52
+c1cc(cc(c1)-c2ccc(F)c(c2)CNc3c(c(ccc3F)OCC(=O)OCC)C)F	52
+c1c(cc(Cl)c(c1)N2CCN(CC(OCC)=O)C2=O)Br	4072
+O(c1ccc(cc1OCC)Br)CC(=O)OCC	52
+C(OC(COc1cccc(c1)CCCO)=O)C	52
+CCOC(=O)CN1c2c(cccc2)CCCCC(N=[N+]=[N-])C1=O	933
+c12c(cccc1)CC3OCC(=O)N(CC(=O)OCC)C23	584
+C(OC(Cn1c2c(cccc2C#N)cc1)=O)C	256
+C(OC(CN(C)CCc1ccc(cc1[N+]([O-])=O)F)=O)C	303
+c1c(CC(OC)=O)cc([N+]([O-])=O)c(OCC(=O)OCC)c1	52
+c1cc(ccc1)-c2cnn(c2)CC(=O)OCC	764
+c1ccccc1C(c2cc(c(cc2OCC(=O)OCC)OC)Cl)O	52
+c1cc(ccc1)C(c2ccccc2)CC(N3CCN(CC3)CC(=O)OCC)=O	303
+c1cc(ccc1)CC(c2cc(C)c(cc2)OCC(=O)OCC)=O	52
+c1cc(ccc1)COC(C2Cc3c(CC2)n(c4c(Cl)cccc34)CC(=O)OCC)=O	256
+c1cc(ccc1)COC(=O)c2cccc(Oc3cc(C)c(cc3)OCC(OCC)=O)c2	52
+c1ccccc1SCC(OCC)=O	8280
+c1cc(ccc1OCC(OCC)=O)-c2c(C)nc(c(C#N)c2)O	52
+c1cc(ccc1-c2cc(on2)-c3nn(CC(OCC)=O)nn3)Oc4c(ccc(F)c4)Br	4479
+CC(C)CC(=O)C(CC(OCC)=O)NC(c1ccc(cc1)F)=O	8281
+c1cc(ccc1C(Nc2cc(OCC(OCC)=O)ccc2NC(=O)c3cc(C#N)ccc3)=O)C(C)C	52
+c1cc(ccc1-c2ccc(F)cc2F)C(C)(O)CC(=O)OCC	2040
+C1CCCCC12N(C(C(c3ccc(cc3)C)=N2)=O)CC(=O)OCC	584
+c1cc(ccc1C2CN(C(C2)=O)CC(OCC)=O)Cl	584
+c1cc(ccc1C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5)COCC(=O)OCC	337
+c1cc(ccc1OC)C=CCCCCOc2c(cc(cc2)C(=O)CCCC(OC)=O)OCC(OCC)=O	52
+c1cc(ccc1COc2c3nc(CC)n(c3ccc2)CC(OCC)=O)OC	1457
+c1cc(ccc1Cc2c(C)n(c3ccccc23)CC(OCC)=O)[N+]([O-])=O	256
+c1cc(ccc1Cl)C(=O)NC(CC(OCC)=O)C(=O)c2ccsc2	8282
+C1CC2(CCO1)N(C(C(c3ccc(cc3)Cl)=N2)=O)CC(=O)OCC	584
+c1cc(ccc1Cl)Sc2c(C)n(CC(OCC)=O)c3cccc([N+]([O-])=O)c23	256
+c1cc(ccc1F)C(C2CCN(CC2)CC(OCC)=O)=O	303
+c1cc(ccc1F)C2(c3ccc(cc3)F)CCN(CC(=O)OCC)C2=O	584
+c1cc(ccc1C2(c3ccc(cc3)F)CCCN(C2=O)CC(=O)OCC)F	584
+c1cc(ccc1OCc2ccc(cc2)F)OCC(OCC)=O	52
+c1cc(ccc1C(=O)CC)OCC(OCC)=O	52
+c1cc(ccc1OCC(OCC)=O)C(=O)CCCC	52
+c1cc(ccc1Cl)Oc2c(n(c3ccc(F)cc23)CC(OCC)=O)C	256
+O=S(=O)(c1ccc(cc1)N(CC(OCC)=O)C)O	2319
+N#Cc1ccccc1NCC(=O)OCC	1230
+c1ccc(OCC(=O)OCC)c(c1)C	52
+c1ccccc1-c2cc3n(c(nc3c(c2)C)CCC)CC(=O)OCC	1457
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COCC(=O)OCC)c4	337
+c1ccccc1C2(c3ccccc3)CCCN(CC(=O)OCC)C2=O	584
+c1ccccc1C2CCCN(CC(=O)OCC)C2=O	584
+c1ccccc1C2c3cc(c(c(c3C(=O)C2CC)Cl)Cl)OCC(OCC)=O	52
+c1cc(ccc1OCC(OCC)=O)NC(OCc2ccccc2)=O	52
+c1ccccc1COc2c(OC)cc(C=O)c(OCC(=O)OCC)c2	52
+c1(cc(cc(F)c1OCc2ccccc2)COCC(OCC)=O)F	337
+c1ccccc1COc2cccc3c2nc(C)cc3OCC(OCC)=O	52
+c1ccccc1COc2ccc3c(ccn3CC(=O)OCC)c2	256
+c1ccccc1N(C(=O)C2CCc3n(c4ccc(cc4c3C2)C#N)CC(OCC)=O)C	256
+c1cc(ccn1)C(C(c2ccc3ccccc3c2)=O)CC(=O)OCC	8283
+n1cc(cnc1N2CCC(CC2)O)-c3nn(nn3)CC(OCC)=O	4479
+c1c(n(CC(=O)OCC)nc1Cl)Cl	764
+C(OC(CN1C(=O)C=C(C=C1)n2cc(nc2C)C#Cc3cccc(C)c3)=O)C	8284
+c1(Cl)cc(cc(Cl)c1)N2C(=S)NC(=O)C=C2N	4480
+FC(F)(F)c1cccc(N2C(N)=C(C(OCC)=O)C(C(C(=O)OCC)=C2C)c3cc4c(ccc(C#N)c4)o3)c1	8285
+FC(F)Oc1c(Cl)c(-c2c(Cl)cc(Cl)c(c2)C=C(C#N)C(OCC)=O)nn1C	2948
+c1([N+]([O-])=O)cccc(-c2c(C#N)c(O)nc(SC)n2)c1	8286
+C1(=S)NC(=O)C=C(N)N1CCCCC	2949
+S=C1N(C(N)=CC(N1)=O)c2cc(CC)ccc2	4480
+O(C)c1cc(cc(OC)c1)C=C(C(OCC)=O)C#N	2948
+c1([nH]c2c(cccc2)n1)CN3C(N)=CC(=O)NC3=S	2949
+c1ccccc1COCC(Cc2nc(O)c(C#N)c(-c3ccc(c(Cl)c3)Cl)n2)C	4304
+c12ccccc1cc(cn2)N3C(NC(=O)C=C3N)=S	8287
+c1ccccc1C(CC(C(OCC)=O)C#N)=O	8288
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(C#N)C(OCC)=O	8289
+N1(C(C)c2[nH]c3ccccc3n2)C(=S)NC(C=C1N)=O	2949
+c1ccccc1C=C(C#N)C(=O)OCC	2948
+c1cc(cc(F)c1F)C=2n3nc(C)cc3NC(=O)C=2	2950
+C(=O)(C)c1cc2CCC(C)(Oc2c(CCC)c1OCCCOc3ccc(C(=O)C)c(O)c3CCC)CCC(O)=O	3
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCC(OCC)=O)OC)OC	1028
+n1(c(nc2cnc3ccccc3c12)CCC)CCCCCCCCCCCC(NC)=O	271
+O=S(=O)(C)CCOCCOCCOCCOCCOCCOCCCCCC(OCC)=O	1887
+c1(Cl)cncc(Cl)c1Sc2c([N+](=O)[O-])cc(C(=O)NCC(OCC)=O)s2	2765
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(OCC(=O)NCC(=O)OCC)cc3)C	188
+O=S(=O)(NCCc1c(OCC(=O)NCC(OCC)=O)cc(C(C)C)cc1)c2c(OC)ccc(C#N)c2	188
+Fc1cc(c([N+](=O)[O-])cc1F)NCC(=O)OCC	945
+C(OC(CNc1c([N+]([O-])=O)cccc1F)=O)C	945
+C(OC(=O)CNCc1c(N)c(C)cc(-n2ncnc2)c1)C	1528
+c1cc(ccc1)Nc2ccc(cc2)C(=O)NCC(OCC)=O	259
+O=S(=O)(Nc1ccccc1Oc2ccc(Cl)cc2Cl)c3ccc(cc3)C(=O)NCC(OCC)=O	259
+c1cc(ccc1Oc2c(cc(c([N+](=O)[O-])c2)NCC(OCC)=O)F)C(=O)OCC	945
+c1ccccc1Nc2cnc(C(=O)NCC(=O)OCC)cc2	1008
+C(OC(CNc1ncnc(Cl)c1[N+]([O-])=O)=O)C	2581
+CCOC(=O)CN1c2c(cccc2)CCCCC(N)C1=O	1584
+O=C(CNC(=O)c1ccccc1O)O	3
+c1cc(ccc1-c2cc(N)n(n2)CC(=O)OCC)F	8290
+Ic1cc2NC(CNc2nc1)=O	8291
+c1(cc(SCC(OCC)=O)nc(N)n1)C	8292
+c1cc(ccc1C)S(=O)(=O)N2Cc3c(CC2)sc(C(OCC)=O)c3	3609
+c1ccccc1OCC2CCC(CC2)N(C(Nc3sc(cn3)SCC(OCC)=O)=O)C4CCCCC4	8293
+c1nc(c2CCc3c(cc(c(OC)c3)[N+]([O-])=O)-n12)C(=O)OCC	2515
+c1cc(ccc1Cl)-c2c([nH]cc2C)C(=O)OCC	8294
+FC(F)(c1cc(-n2cnc(CO)c2)ccc1F)C	8295
+CN(C)CCN(c1ccccc1[N+]([O-])=O)C(OCC)=O	1199
+C(OC(Nc1nc2c(ccc(C)c2)nc1OC)=O)C	2205
+C[Si](C)(C)CCOCn1c(ccc1)C(=O)c2ccc(cc2)NC(OCC)=O	90
+C(C)OC(=O)c1c(Cl)ccc(N)c1F	1826
+FC(F)(F)C(=O)N1CC(CCC1)c2c(cccc2)NC(=O)OCC	90
+FC(F)(F)C(CC1CCc2cc(ccc2O1)NC(OCC)=O)OCc3ccccc3	90
+FC(F)(F)c1cc2c(N(C(CC)CN2C(C#N)c3cc(Cl)c(cc3)Cl)C(=O)OCC)cc1	1199
+FC(F)(F)c1cccc(c1)N2C(=O)N(C(OCC)=O)C(c3n(-c4ccc(cc4)C#N)ncc3)=C2C	8296
+O=C1NC(=O)ON1c2cc(F)c(cc2)F	8297
+N#Cc1ccc2cc(cc(-c3c4ccccc4ccc3)c2n1)NC(=O)OCC	90
+c1(nc(NC(OCC)=O)sc1)C(C(=O)OCC)=NOC	810
+C1CN(C(=O)OCC)CC(c2cc(ccc2)OC)=C1	8298
+C(C)OC(N1Cc2c([nH]c3c2cccc3[N+]([O-])=O)CC1)=O	66
+c1(c(c2c(cc1)N=C(OC2=O)OCC)CC)[N+]([O-])=O	8299
+C(OC(=O)Nc1c(F)ccc([N+]([O-])=O)c1)C	90
+c1c(C(=O)O)c(OC(=O)OCC)ccc1	644
+c1(C)cccc(C)c1CNc2cccn3c(C)c(COC(=O)OCC)nc23	405
+CCOC(=O)Nc1cccnc1	950
+C(c1c(c(OC)ccc1OC)F)(OCC)=O	1826
+C(OC(=O)Nc1c(C#N)c(c(cc1)Br)F)C	90
+C1Cc2ccccc2C(c3c1cccc3)=CC4CN(CCO4)C(=O)OCC	66
+c12c(cccc1)n(c(N3CCN(C(OCC)=O)CCC3)n2)CCOCC	1142
+c1(cc(cc(C)c1NC(=O)OCC)Br)C	90
+c1c(c(NC(OCC)=O)ccc1C)[N+]([O-])=O	90
+Fc1c(NC(=O)OCC)cc(c(Br)c1)OCC	90
+C(OC(=O)Nc1cccc(CCNC(C)=O)c1)C	90
+C(OC(=O)Nc1cccc(CO)c1)C	90
+N(c1ccc(C)c(c1)C(=O)c2ccc(Nc3c(F)cc(F)cc3)cc2Cl)C(=O)OCC	90
+C(OC(Nc1nc2ccc(cc2nc1OC)F)=O)C	2205
+C(C)OC(=O)N1NC(c2c1ccc([N+]([O-])=O)c2)=O	3268
+c1cc(ccc1)C(C(c2c3c(ccc2)cccc3)O)CNC(OCC)=O	101
+c1ccccc1CC(C(=O)O)NC(OCC)=O	544
+C1(CN(CCC1=O)C(OCC)=O)C	1600
+C1CN(C(=O)OCC)CC(c2cc(ccc2)OC)=C1	8300
+c1cc(ccc1)CN2CC(N(CC2)C(=O)OCC)C	66
+c1cc(ccc1)CNC(=O)C(CO)NC(=O)OCC	1403
+C1CC(CCN1C(OCC)=O)(c2ccc(cc2)Br)c3ccc(cc3)Cl	66
+c1cc(ccc1Br)N2CCC(CC2)NC(=O)OCC	101
+c1cc(ccc1C2=NOC(N2)=O)C=3C=CC(=O)N(Cc4cc(NC(=O)OCC)ccc4)N=3	4481
+c1cc(ccc1Cl)NS(=O)(=O)c2ccc(OC)c3c2OCC(NC(OCC)=O)C3	101
+c1cc(ccc1F)-c2nc3n(nc(c(C)c3C)Cl)c2C4C=NN(C=C4)C(=O)OCC	8301
+c1cc(ccc1F)CNc2ccc(NC(OCC)=O)c(N)c2F	8302
+c1cc(ccc1OCC(C)NC(OCC)=O)OCC=C(C)C	101
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)C3=NOC(N3)=O)OCC=C(Cl)Cl)Cl	4481
+c1cc(ccc1)C(=O)Oc2c(-c3c(c(C)ccc3OC(=O)OCC)C)c(c(cc2)C)C	644
+c1ccccc1C(=O)c2cc([N+]([O-])=O)c(CC(OCC)=O)cc2	8303
+c1ccccc1COC(=O)NC2CC(CC)N(C(=O)OCC)c3c2nc(cc3)OC	8304
+c1ccccc1COC(Nc2c(cc(cc2)NC(=O)OCC)O)=O	90
+c1ccccc1COc2cc3onc(NC(OCC)=O)c3cc2	278
+N(C(OCC)=O)CCc1ncc2ccccc2c1	101
+c1cc(ccc1C(CCCCN2CCN(C(=O)OCC)C(C)C2)c3cnccc3)F	53
+n1n2c(c(Br)ccc2)nc1NC(OCC)=O	977
+n1n2c(c(O)ccc2)nc1NC(OCC)=O	977
+n1n2c(cc(Cl)cc2)nc1NC(OCC)=O	977
+c1cc(ccc1C#N)-c2nnc(NNC(OCC)=O)cc2C	8305
+c1cc(ccc1C(=NNC(=O)OCC)CO)Cl	8306
+CCOC(=O)NC1CCCNC1	8307
+C(c1c(c2ccccc2[nH]1)C(O)=O)(=O)OCC	2038
+c1c2c(NC=3CCCC(=O)C=3C2c4oc(Sc5[nH]c6c(n5)cc(Cl)c(c6)Cl)cc4)c(C(OCC)=O)[nH]1	2503
+Clc1c(n[nH]c1C(=O)O)C	6
+N#Cc1c(C(=O)O)[nH]c(C)c1Cl	6
+c1(C)cccc(C)c1CNc2c3nc(c(n3ccc2)C)C(=O)OCC	2951
+NNC(=O)c1c(C)nc(-c2cccnc2)[nH]1	2100
+c1cc(ccc1F)CCn2nc(cc2)-c3nc(c(C(=O)OCC)s3)C	338
+C#Cc1sc(c(C)n1)C(OCC)=O	4482
+CCOC(=O)c1c(C)nc(-c2n[nH]cc2)s1	3470
+Nc1sc(c(C)n1)C(=O)O	6
+c1cc(ccc1F)-c2nc3n(c(C)c(s3)C(OCC)=O)c2	2952
+c1cc(ccc1F)CN2C(N(c3nc(c(C(OCC)=O)s3)C)CC2C)=O	1083
+c1c2c(CCN3CCN(c4sc(C(=O)OCC)c(n4)C)C3=O)c[nH]c2ccc1	1794
+c1cc(ccc1F)CN2C(=O)N(CC2)c3sc(c(C)n3)C(OCC)=O	1083
+c1ccccc1CN2C(=O)N(CC2)c3sc(c(C)n3)C(OCC)=O	1083
+Cc1nc(N2C3C(N(CC3)C(=O)c4nc(Cl)c(CC)[nH]4)C2)sc1C(=O)OCC	2090
+c1ccccc1CCCc2cn(-c3nc(c(C(OCC)=O)s3)C)nn2	8308
+Fc1cccc(F)c1COc2cc(cn3c(C(OCC)=O)c(C)nc23)F	2953
+OCc1c(noc1C)-c2c(cccc2)F	903
+FC(F)(F)c1ccc(N2CCN(CC2C)Cc3c(n[nH]c3)C(=O)OCC)nc1	678
+n1n(cc(c1C(OCC)=O)C=O)-c2c(F)cccn2	2488
+FC(F)(F)CNc1c(C(=O)OCC)nc(nc1)Cl	8309
+c12cc([nH]c1c(ncn2)O)-c3occc3	8310
+O=C(c1c(N=[N+]=[N-])c2c(cccc2)nc1)O	6
+C[Si](C)(C)CCOCn1cc(c(-c2nc3CCCCc3s2)n1)C(=O)OCC	1428
+c1(Cl)nc2CCCCc2c(Cl)c1C=O	1639
+C1Cc2c(nc(C)s2)-c3c(sc(C(=O)OCC)c13)SC	8311
+CCOC(=O)c1ncn2-c3ccccc3C(N(C)Cc12)=O	497
+Clc1cc(ccc1)NC(=O)N2Cc3c(n[nH]c3CC2)C(=O)OCC	326
+O(CCc1n2c(c(C(=O)O)c1)c(Cl)ccc2)CC	6
+c12c(C3C(C3)C1OCOC)c([nH]n2)C(=O)N	314
+c1ccccc1COC(=O)c2c(C)n[nH]c2-c3nc4cc(ccc4[nH]3)C(OCC)=O	567
+C1CC12C(CN(c3c(F)cc(C(OCC)=O)c(F)c3OC)C2)NC(c4ccccc4)C	34
+c1c(OCC)c(Cl)ccc1CO	217
+C(C)OC(=O)c1cccc(-c2csc(n2)-c3cnccc3C)c1	8312
+Clc1ccc2oc(-c3cc(ccc3)C(=O)OCC)cc2c1	1936
+FC(F)(F)C(=O)c1cc(C(=O)OCC)n(c1)CC=C	531
+c1cc(ccc1Cl)C(c2n(CC=C)c(Br)nc2C(=O)OCC)O	8313
+c1ccccc1CN2Cc3nc(C(OCC)=O)cn3CC2	48
+Brc1ccn2c(c1)nc(CO)c2	874
+c1cc(ccc1Cl)CNC(=O)c2c(c3c(c(F)c(F)c(F)c3)nc2)O	1556
+CCOC(=O)c1csc(-c2n(C)ncc2Cl)n1	697
+Clc1c(-c2nc(C(=O)O)cs2)n(C)nc1	6
+Brc1nc(C(=O)O)cs1	6
+c1cc(ccc1-c2cc(F)c(cc2OC)F)OCc3nc(C(OCC)=O)cs3	8314
+CCOC(=O)c1n(c(cc1Nc2ccccc2[N+]([O-])=O)C)C	4483
+c1cc(N)c(cc1)Nc2c(n(c(c2)C)C)C(=O)OCC	0
+c1cc(ccc1)Cn2nc(C(OCC)=O)c3cccnc23	1485
+c1cc(ccc1-n2ccc(C(OCC)=O)n2)F	568
+c1ccccc1Oc2ccccc2Cn3ccc(C(=O)OCC)n3	309
+c1c(F)c(c(cc1)F)C(=O)Nc2c(C(=O)OCC)n[nH]c2	1404
+CCOC(=O)c1n[nH]cc1N	209
+[nH]1nc(C(=O)OC)c([N+](=O)[O-])c1	3870
+CCOC(c1cc(c(cn1)N)N)=O	13
+c1(Cl)ccnc(CO)c1	194
+c1cc(ccc1Cl)NC(c2c(N)n(cn2)C)=O	4484
+c1cccc2c1-n3cnc(C(OC)=O)c3CN(C)C2=O	8315
+c12C3CC(CC3)c1c(nn2C)CO	194
+c12-c3ccccc3NC(=S)n1nc(CO)c2	194
+C1(C(Nc2c(N1)c(Cl)c(Cl)c(Cl)c2Cl)=O)=O	2954
+O=C(C(Cc1ccc(Cl)cc1[N+]([O-])=O)=O)OCC	2161
+O=C(OCC)C(CC(c1cccc(Cl)c1)=O)=O	633
+FC(F)(F)c1ccc2c(NC(=O)C(=O)N2C3CCCCC3)c1	2548
+FC(F)(F)c1c(c(c(cc1)OCc2ccccc2)[N+](=O)[O-])CC(=O)C(OCC)=O	2161
+C1(C(=O)Nc2c(Br)cc(cc2N1)Br)=O	2954
+c1cc(ccc1)C2=C(C(N(CCCC)S2(=O)=O)=O)O	8316
+c1(c2nc(cc(NCC)c2cc3c1OC(=CC3=O)C(OCC)=O)C(OCC)=O)CCC	2955
+C1(C(=O)Nc2c(c(c(F)c(F)c2F)F)N1)=O	2954
+Clc1cccc(Cl)c1C(=O)C(OCC)=O	8317
+O=C(OCC)C(=O)Nc1c2C(CC(c2c(C)cc1)CCC)=O	8318
+O(c1cc(cc(OC)c1)C(C(=O)OCC)=O)C	2956
+O=C(C(c1ccc(cc1C)F)=O)OCC	2956
+c1cc(ccc1)C=2C(=O)N(C(=O)C=2O)c3ccccc3Cl	8319
+c1cc(ccc1)COC(=O)N2CCC(CC2)CCCCC(=O)C(OCC)=O	8320
+c1ccccc1OCC(=O)CC(=O)C(=O)OCC	1135
+c1ccccc1Oc2c(NS(=O)(=O)C)cc3c(C(C=C(O3)C(=O)OCC)=O)c2	2955
+c1cc(ccc1Br)C(CC(C(OCC)=O)=O)=O	633
+c1cc(ccc1N(C)C)C(CC(C(OCC)=O)=O)=O	633
+c1cc(ccc1OC)C(=O)CC(C(OCC)=O)=O	633
+C1CCCCN1c2ccc(cc2)C(=O)CC(C(OCC)=O)=O	633
+c1cc(ccc1CN2C(C(Nc3c2cc(F)c(C(OC)=O)c3)=O)=O)OC	2548
+c1cc(ccc1F)C(=O)CC(C(OCC)=O)=O	633
+c1cc(ccc1Cl)-n2c(nc3c2nccc3)C(=O)OCC	8321
+c1cc(ccc1CCC(=O)CC(C(OCC)=O)=O)OC	1135
+c1cc(ccc1OCC(O)=O)C(=O)CC(C(OCC)=O)=O	633
+c1cc(ccc1C=Cc2c3OC(C(=O)OCC)=CC(=O)c3ccc2)OCCCCc4ccc(cc4)F	2955
+c1ccccc1COc2cc(c(C(CC(=O)C(=O)OCC)=O)c(c2)Oc3ccc(cc3)[N+]([O-])=O)OCc4ccccc4	633
+c1cc(ccc1OC)Oc2cc(c(cc2Cl)F)C(C(=O)OCC)=O	2956
+c1cnccc1C(=O)CC(C(OCC)=O)=O	633
+c1cc(ccc1)COc2cc(cc([N+](=O)[O-])c2CC(C(OCC)=O)=O)C	2161
+CC(C)c1c(OCc2ccccc2)cc(c(C(CC(=O)C(=O)OCC)=O)c1)OCc3ccccc3	633
+O=C(OCC)C(CC(c1ccc(cn1)C)=O)=O	633
+c1ccccc1Oc2ncc(cn2)C(CC(=O)C(OCC)=O)=O	633
+O(CC)C(=O)C(F)CCn1c2nc(nc(Cl)c2nc1)N	637
+C(=O)(C(C#N)(c1c(OC)c(Oc2c(F)cccc2)ccc1)C)OCC	3534
+C12(C(O)=O)c3c(OCC1CCCC2)cccc3	3
+C=1(C(C(=O)O)=C2N(CCC2)C(C=1Cl)=O)Cl	108
+C1C=C(CCN1C)CO	2947
+N1(C=C(C(=O)O)C(Cl)=CC1=O)C	108
+CCOC(C1=CN(C)c2c(C1=O)sc(CO)c2C)=O	1364
+c1cc(ccc1Cl)CNC(C=2C(c3sc(CO)c(c3N(C)C=2)C)=O)=O	1267
+Nc1cc(F)c(C)c2N(C=C(C(c12)=O)C(=O)O)C3CC3F	108
+CCOC(C1=CN(C2CC2F)c3c(C1=O)c(N)cc(F)c3C)=O	0
+c1cc(ccc1)COc2c(cn(C)n2)C(=O)OCC	8322
+O=S(=O)(OCC1CC1C(OCC)=O)C	7
+n1c(nn(-c2cc(nc(SC)n2)C3C(c4nc5c(cccc5)n4C)C3)c1C)C	8323
+c1(cc(I)ccc1)-c2nnn(n2)CCCN3CCCC(C(OCC)=O)C3	123
+O=S(=O)(C)Nc1c(cccc1)C(N2CC(CCC2)C(=O)OCC)=O	30
+C1(CN(C(=O)Cc2cccs2)CCC1)C(OCC)=O	58
+C1(CN(c2nc(c(cc2)[N+]([O-])=O)N)CCC1)C(OCC)=O	43
+c1cc(ccc1OCC(=O)N2CCCC(C(OCC)=O)C2)-c3ccc(cc3)C#N	10
+c1cc(ccc1C#N)C(CN2CC(CCC2)C(OCC)=O)O	170
+c1cc(ccc1OC)CN2CC(C(OCC)=O)CCC2	171
+C(OCC)(=O)C1CCCN(CCC2COc3c(cccc3)O2)C1	236
+c1cc(ccc1)N2C(CC(CC2)C(OCC)=O)=O	883
+FC(F)(F)c1cccc(c1C(n2c3c(c(N4CC(C(C(OCC)=O)CC4)O)n2)c(ccc3)F)=O)Cl	8324
+n1c(NC(C2=C(O)C=C(C)N(C2=O)C)=O)sc(C)c1	8325
+O(C(=O)CCCN1c2ccccc2C(NC1=O)=O)CC	783
+C(Cc1n2ccc(cc2cc1C)C#N)(OCC)=O	8326
+FC(F)(F)C(C)(C)c1c(F)cc(cc1F)C2CC2C(=O)OCC	4485
+O(C)c1ncc2c(CC3C2C3C(OCC)=O)c1	8327
+c1cc(ccc1S(=O)(=O)NCCc2ccc(CC(OCC)=O)n2C)F	8328
+CCOC(C1CC1c2nc(SC)nc(c2)-n3c(C)nc(n3)C)=O	8329
+c1(F)c(ccc(c1)Br)C2C(C2)C(OCC)=O	4485
+c1cc(ccc1CC=2C(N(c3n(ncn3)C=2CCC)C4CC(C4)OCC(OCC)=O)=O)-c5ccccc5C#N	3688
+C(OC(C1C(c2sc(cc2)CCCC)C1)=O)C	4264
+C(C1CCc2cc(OCCCOc3ccc(-c4nc(co4)CC)cc3OC)ccc12)C(=O)O	3
+C(c1ccc(c(c1)OC)OCCCOc2cc3CCC(CC(=O)OCC)c3cc2)(=S)N	1855
+C(OC(CC1c2c(cc(cc2)OCCO)CC1)=O)C	665
+c1ccccc1COc2ccc3n(ccc3c2)CCC(=O)OCC	8330
+CCOC(CCC1CCc2cc3cccnc3nc2C1)=O	8331
+c12c(CC(CC1)CCC(OCC)=O)nc3c(CCCN3)c2	2826
+ClC1(Cl)C(=O)CC1CCC(=O)OCC	2747
+CN(C)CCCC1c2c(cc(OCCCC(=O)OCC)cc2)CCc3ccccc13	8
+C[Si](C)(C)CCOC(c1cccc(S(=O)(=O)N(CCCC(OCC)=O)C2CC2)c1)=O	831
+O(C(CCCSc1nc2ccccc2[nH]1)=O)CC	2465
+O(C(CCCOc1c([N+]([O-])=O)cccc1)=O)CC	8
+c12cc(OCCCC(OCC)=O)c(cc1CCC2=O)CCCCCC	8
+n1(ncc2cc(c(C)cc12)Br)CCCC(OCC)=O	1090
+c1cc(OCCCC(OCC)=O)c(cc1Br)OC	8
+O(C(CCCNCCC1Cc2c(cccc2)OC1)=O)CC	132
+c1cc(ccc1-c2ccc(cc2)C#N)OCCCC(OCC)=O	8
+c1cc(ccc1OCCCC(=O)OCC)C=O	8
+c1cc(ccc1Cl)Cc2c(n(CCCC(OCC)=O)c3ccccc23)Br	339
+c1ccccc1-c2ccc(cc2)OCCCC(=O)OCC	8
+c1ccc(cc1[N+]([O-])=O)C(c2c3ccccc3n(CCCC(OCC)=O)c2)=O	339
+c1cc(ccc1Oc2c(-c3ccccc3)c(C)cc4cc(ccc24)OC)OCCCC(=O)OCC	8
+c1ccccc1CN(Cc2ccccc2)CCCC(OCC)=O	28
+c1ccccc1Cn2c3c(cc(OCCCC(=O)OCC)cc3)c(CC(=O)N)c2	8
+Clc1cc(c(Nc2c3c(cc(OCCCC(OCC)=O)c(OC)c3)ncn2)cc1)F	72
+C(OC(CCCn1cnnn1)=O)C	4486
+O=S(=O)(NCCCC(OCC)=O)C	111
+O=S(=O)(N(c1cccc2c1[nH]c(c2)-c3sc(cn3)CNCCCC(OCC)=O)C)c4cccs4	4461
+C(OC(CCCNCc1ccc2c(c1)occ2)=O)C	42
+c1cc(ccc1Oc2ccnc3c2sc(c3)C(=O)NCCCC(=O)OCC)NC(Nc4cc(ccc4F)C)=O	227
+c1ccccc1C=2C(=O)N(CC3CCCCC3)c4c(c(O)c(C(NCCCC(=O)OCC)=O)nc4)C=2	658
+n1(C2CCCCO2)nc(C(NCCCC(OCC)=O)=O)c(c1)NC(=O)c3ccccn3	81
+FC(F)(F)C(=O)N1CCc2c(cccc2CCCC(=O)OCC)C1	4324
+C(CNC(Nc1cccc(C(=O)O)c1)=O)C(OCC)=O	675
+CC(C)(C)c1ccc(cc1)NCCC(=O)OCC	1627
+O=S(=O)(c1cc(OC)ccc1)NCCC(=O)OCC	71
+O(C)c1nc(nc(OC)c1[N+]([O-])=O)NCCC(=O)OCC	96
+c1cc(ccc1)OCC(Nc2ccc(cc2)C(=O)NCCC(OCC)=O)c3oc4c(cccc4)c3C	14
+c1cc(ccc1C(=O)NCCC(=O)OCC)N2CCC(CC2)=O	14
+C(OCC)(CCNc1c2ccccc2ncc1[N+]([O-])=O)=O	105
+c1cc(ccc1C(=O)N(CCC(OCC)=O)C)NC(c2oc3c(cc(cc3)OC)c2C)CCCCOC	30
+c1cc(ccc1O)CSCCC(=O)OCC	639
+O=S(=O)(c1nccn1CC(=O)OCC)C	8332
+c1(cc2c(cccc2Br)o1)C(=O)OCC	8333
+c1cc(ccc1Cl)OCC(OCC)=O	1845
+N1c2c(CC1=O)ccnc2	8334
+CCOC(Cc1ccncc1N)=O	13
+c12N(C(Sc1cc(cc2)N3C=C(C(NC3=O)=O)C#N)=O)C	2957
+C(#N)C1=CN(C(NC1=O)=O)c2cc3c(N(C(=O)N3C)C)cc2	2957
+c1cc(ccc1N2CCOC2=O)N3C(NC(C(C#N)=C3)=O)=O	2957
+c12c(Cl)nc3c(n1c(CC)nn2)cccc3	2958
+C(C)c1n2c(nn1)c(nc3c2ccc(c3)OC)OC	2958
+c1cc(ccc1COc2cccc3[nH]c(CC)nc23)OC	8335
+c1cnccc1-c2cc3c([nH]c(CC)n3)nc2-c4cc(F)ccc4	8336
+c1ccccc1COc2cc3c(cc2)ncc4nc(CC)n(c34)C	1700
+FC(F)(F)c1c(OCC)ccc(-c2cc3c([nH]c(CCl)n3)c(n2)C#N)c1	8337
+c1cc(ccc1-c2cc(ccc2C)C(=O)NC3CC3)-c4oc(nn4)CCl	2959
+C1CCCC1n2c(cc3cnc(Cl)nc23)C(OCC)OCC	4442
+c12-c3c(cccc3)C(c1cccc2)COC(=O)NC(C)C(=O)N(Cc4c5ncccc5ccc4)C(C(OCC)OCC)C	10
+C1CC(CCC1)CCn2cc(c3cc(C)ccc23)CCNC	8338
+C(C)OC(OCC)Cn1c(cc(-c2cnccc2)n1)N	8339
+CCOC(CC1CCc2cc(OCCOCC)ccc12)=O	8340
+Cc1ccc2occc2c1	4487
+c1ccccc1Oc2ccc(cc2)OCC=O	598
+c1([N+]([O-])=O)ccc(-n2nnnc2)nc1	8341
+Cc1nc(-n2nnnc2)ccc1C(C)C(OCC)=O	8342
+c1c(C)cc(cc1-n2c3cccc(C#N)c3nc2)C	4488
+FC(F)(F)C(Nc1ccc2c(c1CC)nco2)=O	4489
+FC(F)(F)C(=O)Nc1ccc2c(nco2)c1C	4489
+FC(F)(F)Cc1sc2c(c(O)ncn2)c1	8343
+FC(F)(F)c1c2ccc3n(cc(-c4ocnn4)n3)c2nc(O)c1	8344
+FC(F)(F)c1cnc2c(O)ncnc2c1	4490
+FC(F)(F)c1cc(N(C2CCCC(n3cnnn3)C2)CC)ccc1C#N	4486
+FC(F)(F)c1cccc(c1)-c2nc(c3[nH]cnc3c2)C#N	4491
+OC(Cn1cnc(c1N)C(=O)N)C	8345
+c1(-c2ncon2)cc(c(C)cc1)F	4492
+c1(-c2ncon2)cc3nc(-c4c(Cl)ccc([N+]([O-])=O)c4)[nH]c3cc1	4492
+c1nc2c(n1C)cc(Cl)nc2C#N	919
+c12c(n(cn1)C)cc(Br)nc2	919
+c1c2c(ncc1)nco2	8346
+c1cc2c(c(ncn2)O)nc1Cl	4490
+c12cc(Cl)nc(Cl)c1c(ncn2)O	8347
+CC1(C)OC(=O)C(C(=O)O1)=CNc2cc(ccc2Br)OC	8348
+n1nncn1-c2ccc3c(CCCC3C(OC)=O)c2	797
+c1c(OC)ccc(c1Br)-n2nnnc2	797
+N1=CN(C(c2nc(Br)cnc12)=O)C	8349
+O(c1c(CC)cc(c(C)n1)-c2ncon2)C	8350
+CC1(C)OC(=O)C(C(O1)=O)=CNc2cccc(OC)c2	2960
+c1cc(ccc1NC=C2C(OC(OC2=O)(C)C)=O)C(c3nccs3)c4ccc(cc4)Cl	2960
+CC1(C)OC(=O)C(C(O1)=O)=CNc2cccc(c2)OCc3ccccc3	2960
+O=S(=O)(C)c1cc(Cl)c(C(C(=COCC)C(=O)CC)=O)cc1	4493
+C1CC1C(=O)C(=COCC)C(=O)c2c(cc(Cl)cc2)S(=O)(=O)C	4493
+N1(c2cc(C(=O)OC)cc(c2)-n3nnnc3)C(C=C(C=C1)C)=O	797
+c1(c(ccc(c1)-n2nnnc2)OC)C(=O)C	797
+c1cc(ccc1C)-c2cc(-n3nnnc3)cc(C(=O)OC)c2	797
+c1cc(ccc1CCCC)-c2c(c3c(cc2)c4Cc5c(ccc(-n6nnnc6)c5)-c4[nH]3)F	797
+c12c(C(=O)N(C1=O)CCCCOc3ccc(cc3)-n4cnnn4)cccc2	797
+n1c2c(Cl)nc(Br)cn2cn1	4189
+c1(F)c(F)c(c(c(F)c1C(C(C(=O)OCC)=CNc2c(cccc2)O)=O)F)N3CCC(NC(=O)C)C3	8351
+c1c(F)c(cc(OC)c1OCc2ccc(nc2)OC)Cn3cnc4cc(I)ccc34	2854
+c1(c(OCc2ccc(nc2)OC)ccc(c1)Cn3cnc4cc(I)ccc34)OC	2854
+c1nc2c(c(Cl)nc(Br)c2)n1C	8352
+Cc1cc(Nc2nc3n(Cc4ncc(cc4F)F)cnc3cc2F)n[nH]1	8353
+C(C)OC(c1cnc(Cl)c2c1n(cn2)C)=O	919
+c12c(nc[nH]1)c(C#N)nc(Cl)c2	4491
+c1(c(c(ccc1C)Cl)Nc2ccccc2-c3nnco3)Cl	2961
+c1(c(NC(=O)C(=CNc2cc(I)c(OCCOC)cc2)C#N)cc(c(Cl)c1)OC)Cl	8354
+n1(Cc2c(F)cccc2)cnc3cnc(Cl)nc13	8355
+c12n(c(CCC)nc1c(C)cc(-c3nnco3)c2)Cc4ccc5c(CCc6c(C5=CC#N)cccc6)c4	2961
+c1(c(OCc2ccc(nc2)OC)ccc(Cn3c4c(cc(cn4)I)nc3)c1)OC	4494
+O(c1c(cc(cc1)Cn2c3c(cc(cn3)I)nc2)OCC)Cc4ccc(nc4)OC	4494
+n1c(Cl)c2ncn(-c3c(Cl)cccc3)c2nc1	4127
+c1n(c2c(ccc(c2)Br)n1)-c3ccc(c(F)c3)C(=O)OCC	4488
+CCOC(=O)C(C(c1c(cc(I)cc1)Cl)=O)=COCC	3335
+c12nncn1cccc2-c3ncccc3	2570
+n1c2cc(ccc2n3cnnc3c1OC)OC	8356
+c1cc(ccc1-c2ocnn2)-c3c(n(C)c(-c4ccccn4)n3)I	2961
+c1cc(ccc1-n2c3c(nc2)cccn3)C(C(OCC)=O)=O	3493
+c1cc(ccc1OC)Cn2cnc3cnc(cc23)Br	919
+c1cc(ccc1)CN2CCC3(CC2)N(C=NC3=O)c4ccc(cc4)F	3702
+c1cc(ccc1CC#N)-n2cnc3cnc4ccc(Br)cc4c23	8357
+c1cc(ccc1O)Cn2cnc3ncc(nc23)-c4sccc4	8358
+c1cc(ccc1[N+](=O)[O-])-c2ncon2	8359
+c1ccccc1COC(NCCCn2c3c4ccccc4nc(Cl)c3nc2)=O	919
+n12c(nnc1)c3cc(C)ccc3nc2CCl	8360
+c1(ccn2cnnc2c1)-c3ncccc3	2570
+O(CC)C(OCC)P(OCC)(CC(c1ccc(cc1)OC)C[N+]([O-])=O)=O	8361
+O=Cc1cc2cnc(cc2[nH]1)Br	1921
+C(OC(OCC)c1ccc(cc1)CNC)C	42
+CCOC(OCC)c1cc2c(o1)c(-c3cccc(C=O)c3)cnc2	4495
+c1ccccc1COc2cccc(c2)-c3cncc4cc(C(OCC)OCC)oc34	4495
+c1cc2c(cc1)cc(CO)[nH]2	194
+CCOC(c1n(C)c2c(cccc2)c1)=O	144
+CCOC(=O)c1[nH]c2c(cccc2)c1C=O	287
+c1cc2[nH]c(cc2cc1)C(NC)=O	780
+c1(c(C=O)[nH]c(c1)C(OCC)=O)C	413
+CCOC(c1[nH]cc(CCN)c1)=O	51
+O(C(c1n[nH]c(c1)NC(=O)c2cc(F)c(cc2Cl)F)=O)CC	330
+O(C(c1n[nH]c(c1)NC(=O)c2cc(F)c(cc2C)F)=O)CC	330
+CCOC(c1[nH]nc(N)c1)=O	161
+c1cc(ccc1F)-c2n(C)cc(C(OCC)=O)c2C	1072
+c1(cn2c(c1C)c(c(C#N)cn2)Cl)C(=O)OCC	8362
+c1(c(C)n(C)cc1)C(=O)O	6
+Clc1ncc(c(C)n1)C(=O)O	6
+CCOC(c1c(C)nc(nc1)NN)=O	1657
+CCOC(c1c(C)nc(Cl)nc1)=O	740
+c1(c(C)nccc1)CO	351
+c1(C(=O)O)c(C)onc1-c2ccncc2F	6
+c1nccc(n1)-c2c(C(=O)O)c(C)on2	6
+C(C)OC(c1cn(-c2cccnc2)nc1Cl)=O	2962
+c1(c(Cl)nc(SC)nc1)CO	897
+CCOC(c1c(NC)nc(SC)nc1)=O	40
+FC(F)(F)CNc1c(cccn1)C(=O)OCC	70
+n1cccc(c1-c2ccc(cc2F)F)C(=O)OCC	140
+c1c(cc2nsnc2c1)Oc3c(cccn3)C(OCC)=O	136
+c1cc(ccc1)CN2CCN(CC2)c3ncccc3C(OCC)=O	43
+c1cc(ccc1Nc2ccccn2)Oc3ncccc3C(OCC)=O	136
+c1c(cc2nonc2c1)Oc3c(cccn3)C(OCC)=O	136
+CCOC(=O)c1c(F)cnc(Cl)n1	8363
+c1c(c(I)nn1C2CCCCO2)C(=O)OCC	1738
+Nc1c(CO)cnc(Cl)c1	351
+c1ccccc1NC(=O)Nc2c(cnn2C)C(=O)OCC	8364
+CN(C)c1ccc(cc1)-c2nc(ncc2)-n3cc(C(OCC)=O)c(n3)N	2963
+n1cccnc1-n2nc(c(c2)C(OCC)=O)N	2963
+c1(CO)c(NC)cc(Cl)nc1	351
+c1(CO)c(NC)nc(SC)nc1	897
+CCOC(C1=CN(C)c2c(Cl)nc(C)cc2C1=O)=O	8365
+CCOC(C1=CN(C)c2c(C1=O)sc(C=O)c2C)=O	8366
+CCOC(c1c(C)c(Br)n(C)c1)=O	819
+c1cc(ccc1)COC(=O)OC2Cc3c(c(cnc3CC2)C(=O)OCC)O	405
+c1(Oc2cc(ccc2)F)c(CO)cccc1	217
+Cc1nn(-c2cccnc2)cc1C(=O)OCC	2962
+c1(c(C(OCC)=O)c[nH]n1)C=O	178
+c1cc(ccc1)Cn2nc(c(c2)C(=O)OCC)[N+]([O-])=O	309
+c1ccc2c(-c3c(csc3CO)-c4ccccc4O2)c1	2842
+O1CCCn2c1c(C(=O)O)cn2	6
+Ic1c2c(nc(Cl)cc2C(=O)OCC)n(C3CCCCO3)n1	1846
+c1c(c(Cl)cc(OC)c1)OCc2csc3c(cnc(Cl)c23)C(=O)OCC	1739
+C(C)OC(c1cnc(Cl)c2c(COc3cc(ccc3C)NC(c4ccc(NCCO)c(Cl)c4)=O)csc12)=O	1739
+c1cc(ccc1Br)OCc2c3c(ncc(C(OCC)=O)c3sc2)Cl	1739
+c1cc(ccc1COc2cc(ccc2)OCc3c4c(sc3)c(C(=O)OCC)cnc4Cl)Cl	1739
+c1ccccc1C(Nc2ccc(c(OCc3c4c(c(cnc4Cl)C(OCC)=O)sc3)c2)C)=O	1739
+CCOC(c1c2c(I)n[nH]c2nc(Cl)c1)=O	4190
+CCOC(c1c2c(n[nH]c2)nc(Cl)c1)=O	137
+C(OC)Cc1n2c(c(C(=O)O)c1)c(Cl)ccc2	6
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(cnn14)C(=O)OCC	790
+c1cc(N2C(CCC2)c3cc(ccc3F)F)nc4c(cnn14)C(=O)OCC	790
+O1CCc2c3n(ncc3CO)ccc12	536
+O=S(=O)(n1c(C)c(C(=O)OCC)cc1Br)c2cnccc2	1690
+c1(C(=O)O)cc(Br)c(C)[nH]1	6
+CCOC(c1cc(c(Cl)nc1)C#N)=O	4496
+c1ccccc1-c2sc(nn2)NC(=O)c3c(c4c(ncc(C(OCC)=O)c4)s3)N	3192
+c1ccccc1COCCCCN(C(=O)c2cc(cc(C(OCC)=O)c2)C)CCC	30
+c1(C(=O)O)cc(Cl)c(C)[nH]1	6
+CCOC(c1cc(C#N)c(O)nc1)=O	2189
+CCOC(c1cc2c(nc1)n(CCCOC)c(N)n2)=O	8367
+c1cc(C(=O)O)cc([N+]([O-])=O)c1OCC	6
+c1(C(=O)O)cc([nH]c1)-c2n[nH]c3c2cccn3	6
+c1cc(ccc1)CCNC(=O)c2cc([nH]c2)-c3n[nH]c4c3cccn4	1556
+CCOC(c1cc(N)c(NCCCOC)nc1)=O	13
+c1cc(ccc1Nc2nc3cc(ncc3[nH]2)C(OCC)=O)OC	8368
+c1(Cl)c2c(ccn1)cc(CO)[nH]2	194
+c1cc2cc(CO)[nH]c2nc1	194
+c1cc(ccc1)S(=O)(=O)n2ccc(C(OCC)=O)c2C	917
+c1cc(ccc1OCC=C)CCC(c2[nH]c(C(OCC)=O)cc2)=O	1053
+c1cc(ccc1Cl)CC(c2cc([nH]c2)C(=O)OCC)=O	432
+CC(C)(C(=O)OCC)c1ccc(cc1)OCc2ccccc2C(OCC)=O	22
+O=S(=O)(c1sc(cc1)C(=O)OCC)Cl	2206
+C(C)OC(c1sc(cc1)[N+]([O-])=O)=O	8369
+n12CCOCc1c(cc2)C(=O)O	6
+COc1cc(cc(OC)c1OC)-c2cc(C(OCC)=O)ccn2	140
+c1(cc(cc(OC)c1Cl)-c2nccc(C(OCC)=O)c2)OC	140
+C(C)OC(c1cnn(C)c1)=O	1211
+C(C)OC(c1cnn(c1)CC#N)=O	4497
+COC(OC)c1c(Br)cnc(-n2cc(C(=O)OCC)cn2)c1	1706
+C(C)OC(c1cnn(-c2nc3c(c(O)n2)cc([N+]([O-])=O)cc3)c1)=O	8370
+n1cc(C(=O)OCC)cn1-c2n(COCCOC)c3c(n2)c(c(Cl)c(Cl)c3)Cl	2482
+c1cc(ccc1C)S(=O)(=O)n2cc(cn2)C(OCC)=O	3952
+c1cc(ccc1OC)Cn2ncc(C(=O)OCC)c2	309
+c1cc(ccc1-n2ncc(C(OCC)=O)c2)Oc3c(Cl)ccc(c3)F	568
+c1cc(ccc1-n2ncc(C(OCC)=O)c2)OCCCN3CCCC3C	568
+C(c1ccc2CCCN(c2c1)CCOC)n3ncc(c3)C(=O)OCC	4498
+C(c1ccc2c(cc(C)n2C)c1)n3ncc(c3)C(=O)OCC	4498
+c1c2c(ccc1)nc(c3c(C(=O)OCC)cnn23)Cl	8371
+C(c1n(C)c2c(cccc2)c1)(=O)NC	780
+FC(F)(F)c1ccccc1COC2CN(C2)c3ncc(s3)C(=O)OCC	641
+CN(C)CCCCNC=O	1212
+FC(F)(F)c1cc(n(n1)C)Oc2cccc(CNC=O)n2	1212
+c1cc(ccc1S(=O)(=O)N2C3CC(C(C=O)C2CCC3)=O)Cl	8372
+c1c(c(c(cc1)OC)C)CCNC=O	1212
+c1cc(c(cc1F)C)C(c2ccc(F)cc2C)=C(c3nnnn3C)C=O	4499
+CCn1c(C(=O)Nc2cccc(C(c3ccc4NC(=O)C(C=O)c4c3)=O)c2)cc(C)n1	1557
+c1cc(N)c(cc1)CC(c2sccc2C)N(C=O)C	3695
+c1c2c(cc(CNC=O)c1)N(c3c(nccn3)S2)COC	1212
+c1ccccc1C23CC(C(=O)C(C2CCc4c3n(nc4-c5ccccc5)C)C)=CO	4500
+c1ccccc1C23c4nc(-c5ccccc5OC)nc(c4CCC2C(C)C(C(C3)=CO)=O)OC	4500
+c1cc(ccc1)COc2cccc(c2)CCNC=O	1212
+c1ccccc1Oc2cccc(C(C#N)C=O)c2	8373
+c1cc(ccc1Br)CCc2c(CCNC=O)cccc2	1212
+c1cc(ccc1Cc2cc3C(C=O)C(=O)Nc3cc2)NC(=O)c4n(nc(c4)C)CC	1557
+c1cc(ccc1C(c2ccc(cc2)F)=C(c3n(C)nnn3)C=O)F	4499
+c1cc(ccc1NC(C)=O)C(=O)c2cc3NC(=O)C(C=O)c3cc2	1557
+c1ccccc1Cn2c3c(c(OCCNC=O)ccc3)c4c2ccc(C)c4	1212
+c1csc(c1)C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4C=O)c2	1557
+C1(C(c2sc(C)nc2CC1)=O)C=O	8374
+c1ncncc1CC(C(OCC)=O)C=O	2474
+Clc1cc(cc(Cl)c1Oc2cc3cc(ccc3nc2)C(=O)OC)[N+](=O)[O-]	8375
+c1cc(ccc1C)CC(=O)c2c(Cl)cc(cc2)Cl	4501
+c1cc(ccc1CC(=O)c2c(Cl)cc(cc2)Cl)F	4501
+CC(C)(c1ccccc1Br)O	8376
+c12c(CCC1)cc(c(c2)I)C=O	4502
+c1cc(ccc1-c2nc(cc(C)c2)-n3c(C)ccc3C)C=O	4502
+c1(ncc(Cl)cc1Cl)C(=NOCC)CBr	1213
+O=S(=O)(c1ccc(c(c1C=NOCC)Cl)C(O)=O)C	135
+c1cc(ccc1)CC(NC(c2c(-n3cc4ccccc4n3)nccc2)=O)C(O)C(=O)NOCC	293
+c1ccccc1CN2C(C(NC(C(C(NOCC)=O)O)Cc3ccccc3)=O)CCC2=O	293
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3C(CCCO3)=NOCC	350
+CCOP(OCC)(=O)C(P(OCC)(OCC)=O)CCCOc1ccc(cc1)C(C=C)=O	116
+CCOP(OCC)(=O)C(P(OCC)(OCC)=O)CCCI	343
+C1C2N(C(CC2)c3ccc(c(F)c3)F)C(C(C1)=Cc4cc(c(-n5nc(C)nc5)cc4)OC)=O	3528
+c1(ccc(C)c(c1C=C2C(NC(=O)N2C)=O)C)[N+]([O-])=O	3864
+C(OCCOCCP(=O)(OCC)O)COC	228
+O(CC)P(OCC)(=O)Cc1c(cc(c(C)c1)C=O)C	8377
+O(CC)P(OCC)(Cc1cc[n+](c2ccccc12)[O-])=O	924
+CCOP(OCC)(Cc1c2ccccc2nc(c1)C(=O)N)=O	862
+FC(F)(F)c1c(nc(nc1)Nc2c(OC)cc(CP(OCC)(OCC)=O)cc2)Cl	55
+c1cc(ccc1OC)C=Cc2cccc(I)c2	1265
+c1cc(ccc1)P(c2ccccc2)c3ccc(cc3)P(OCC)(OCC)=O	8378
+C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C	142
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(Cl)c3)Br	142
+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(c(NC(CP(OCC)(OCC)=O)=O)cc34)OC	33
+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(OCC)c(cc34)NC(CP(OCC)(OCC)=O)=O	33
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(ncnc2cn1)Nc3ccc(c(Br)c3)F	142
+CCOP(OCC)(=O)Cc1c2c(nc(C#N)c1)cccc2	8379
+C1CC(CCC1)CCCCCCCCCCCCP(OCC)(=O)O	228
+c1c(Br)c(c(cc1CP(O)(OCC)=O)Br)Oc2cc(C(C)C)c(cc2)O	228
+c1ccccc1-n2c(c(c3c2cccc3)C=O)N4CCN(CC4)CCOP(OCC)(OCC)=O	4337
+c1cc(ccc1CC(N)=S)C(OC)=O	8380
+CCOP(OCC)(=O)c1cc(sc1)-c2c(P(OCC)(OCC)=O)cc(s2)I	1927
+c1cc(ccc1C(Nc2ccc(cc2)P(OCC)(OCC)=O)=O)Oc3ccccc3	67
+CCOP(OCC)(c1ccc(cc1)N)=O	0
+CCOP(OCC)(c1sc(Cc2cc(C(O)=O)cc(OC(C)C)c2)cc1)=O	1429
+[O-][N+](c1cc(OCC)c(P(OCC)(C)=O)cc1)=O	8381
+CCO[Si](OCC)(OCC)CCCI	363
+O(CC)[Si](OCC)(OCC)CCCOCc1ccc(cc1)OC(=O)c2ccccc2	481
+CN(C)C=Cc1c(cc(C#N)c(n1)OCC)[N+](=O)[O-]	1693
+c1cc(ccc1OC)COc2c(cc(cn2)Br)OCC	91
+O(c1c(OCC)cccn1)C	91
+CCOc1c(F)cc(c(N)c1Br)Cl	0
+O=C(O)c1c(OCC)c2c(c(OCC)c1C(=O)O)cccc2	6
+CCOc1c2c(CC(=O)OC)c[nH]c2c(Cl)cc1F	27
+CCOc1c2c(CC(=O)OC)cn(c2c(Cl)cc1F)C	144
+O(CC)c1c2c(CC(OC)=O)cn(C)c2ccc1F	2207
+C(Oc1c2c(C(=O)N(C2=O)c3ccc(cc3)CC(OCC)=O)c(c4c1cccc4)OCC)C	668
+CCOc1cccnc1CSCCNC(SC)=C[N+](=O)[O-]	8382
+CCOc1cccnc1CSCCNC(=C[N+](=O)[O-])NC	2063
+CCOc1c(Cl)nccc1	137
+CCOc1ccnc(NCCN)c1	340
+FC(F)(C)C=CC(=O)NCCNc1cc(ccn1)OCC	8383
+C(COP(CCC#N)(CC)=O)O	8384
+Clc1ccc(c(c1)SCC)C=O	411
+S(CC)C(c1sc2c(Cl)cccc2c1)=O	8385
+FC(F)(F)c1cc(SCC)cc(S(=O)(=O)N(C)C2CCCc3c2cnn3CC(OCC)=O)c1	411
+O=S(=O)(C)c1cc(C(O)=O)c(SCC)cc1	411
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(nc(c4)CCCSCC)F	786
+S(CC)c1c(N)c(Br)cc(n1)CC	8386
+O=S(=O)(CCCn1c(cc2c1ccc(c2)Cl)C(OCC)=O)CC	8387
+O=S(=O)(CC)c1ccc(C=O)cc1F	2964
+Clc1cc2N(Cc3ccccc3Oc2cc1)C(=O)CNC(=O)CCSCC	952
+C1CC1(c2ccccc2)N	4368
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cnc(c4)C5(CC5)OC	8388
+Cc1c2nc(C3CC3C(CC)=O)nn2c(C)cn1	2851
+Clc1cc(Cl)c(N2CCCn3c2nc4c(Cl)ccc(c34)C(CC)O)cc1	1430
+Clc1ccc(C(CC)=O)c(Nc2ccccc2Cl)c1	1740
+FC(F)(F)CN1C(Nc2c(cc(cc2)F)C1(CC)c3ccccc3)=O	8389
+FC(F)(F)c1cc2c(C(O)CC)ccc(COC)n2n1	1430
+FC(F)(F)c1cc2n(c(ccc2C(CC)O)OC)n1	1430
+O=C(OC)C(=COC)c1ccccc1COc2cc(c(C(CC)O)cc2C)C	758
+c1(C)nc(OC)ccc1N2CCCn3c2nc4c(Cl)ccc(C(O)CC)c34	1430
+n1c2c(c(O)nc1CCCC)cc(cc2)C(O)CC	758
+c1(cc(c(cc1)Oc2ccnc3cc(c(cc23)OC)OC)C(O)CC)Cl	758
+C1CC1(c2ncccc2)N	4503
+C(c1cc(C)ccc1Oc2ccnc3cc(c(cc23)OC)OC)(O)CC	758
+CCC(c1ccc2occc2c1)=O	1740
+c1c(cc(c(C(CC)=O)c1)C)Br	1740
+c1c(cc(C(O)CC)c(F)c1)Br	758
+c12nc(c(nc1cc(Cl)c(Cl)c2C(O)CC)OC)OC	1430
+c1cc(ccc1)CN(Cc2ccccc2)c3ccccc3C4(CC4)O	8390
+c1ccccc1Nc2c(ccc(Cl)c2)C(CC)=O	1740
+c1cc(ccc1COCOC)-c2ccc(nc2)C(O)CC	2899
+c1cc(ccc1-c2nc3ccn4c(c3cc2-c5ccccc5)nnc4CO)C6(CC6)N	2208
+C1CC1(c2ccc(cc2)Br)N	2208
+C1CC1(c2ccc(cc2)C#N)N	2208
+c1cc(ccc1-c2ccc(nc2)C(O)CC)C(N)=O	2899
+C1CC1(c2ccc(OCOC)c(n2)Cl)N	4503
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCc4ccc(cc4)C5(CC5)N	2208
+c1ccccc1CC=2C(N3CCSC3=NC=2C(O)CC)=O	8391
+c1(c(nc(SC)nc1Cl)CC)C#N	4336
+C1CC1(c2ncc(cn2)C)N	8392
+C1CC1(N)c2oc(C)cn2	8393
+FC(F)(F)c1cc(-c2nc(c(cc2)C(CC)O)C)ccc1	8394
+c1(c(C)ccc(c1)F)C=C([N+](=O)[O-])C	1734
+c1c(cc(C=C([N+](=O)[O-])C)c(F)c1)F	1734
+c1cc(ccc1C=C(C)[N+]([O-])=O)Cl	1734
+c1ccccc1C(C([N+]([O-])=O)C)O	8395
+c1c(C#N)ccc(C2c3c(NC(=C2C(=O)C)C)ccnc3OCC)c1CC	8396
+CC[Si](CC)(CC)c1[nH]c2c(c1CCCC3(CCC(CC3)(c4ccccc4)N(C)C)O)cncc2	8397
+CC(C)(C(N)=O)c1c(cccc1)C#C	8398
+C(C)[Si](CC)(CC)OCc1cn(COCC)cn1	19
+C(C)[Si](CC)(CC)OC(c1ccc(c(NS(=O)(=O)C)c1)OCc2ccccc2)CI	19
+C(C)[Si](CC)(CC)OC(CN(Cc1ccccc1)CCOCc2ccccc2)c3cc([N+](=O)[O-])ccc3	19
+CC[Si](CC)(CC)OC(CC)(CC)CCC=C(c1cc(cs1)C=O)CC	8399
+CC[Si](CC)(CC)OC(CC)(CC)CCC=C(CC)c1cc(CO)cs1	8400
+O(Cn1c(C(=O)C)nc(CO)c1)CC	4504
+C1CC(CCC1(O)CCCc2c[nH]c3ccncc23)(c4ccccc4)N(C)C	8401
+c1cc(ccc1OC)Nc2c(cccc2)NC(c3conc3CC)=O	2965
+Cc1nc(c(C(=O)OC)cc1CC)OC	91
+O(c1c(cc(CC)c(C)n1)[N+](=O)[O-])C	91
+CCc1c(C)nc(Cl)c(c1)[N+](=O)[O-]	8402
+C1(C(=O)Nc2cc(CC)c(cc2N1)CC)=O	2966
+C1C(C(CN(C1)c2cc(OC)cc(c2)C(=O)OC)OC)NC(c3nc(Cl)c(CC)[nH]3)=O	855
+c1cc(ccc1-c2nc(C(OC)=O)co2)NC(=O)c3[nH]c(c(CC)n3)Cl	616
+Cc1nc(-n2nc3CCC(NC(c4nc(Cl)c(CC)[nH]4)=O)Cc3c2)sc1C(=O)OCC	855
+o1c(nc(C(=O)OCCCC)c1CC)N2CC(C(CC2)NC(c3[nH]c(c(CC)n3)Cl)=O)OCCC	855
+c1(nc(cnc1Cl)C(NCc2sc(C)nc2)=O)CC	312
+CCc1c(Cl)ncc(C(=O)O)n1	1
+c12c(n(cn1)C)cc(Nc3c(CC)cc(-c4cccs4)nc3)nc2	8403
+O(c1c(CC)cc(Br)c(C)n1)C	766
+O=S(=O)(c1ccc(s1)-c2c(nc(c(c2)CC)O)C)Cl	2206
+CCc1c(O)ncc(C(=O)OC)n1	1910
+CCc1c(Cl)ncc(C(=O)OC)n1	4505
+N(=[N+]=[N-])Cc1cccnc1CC	8404
+FC(F)(F)c1ccccc1CC(NC(c2sc(C)c(-c3c(CC)cnn3C)c2)=O)CN4C(c5ccccc5C4=O)=O	227
+CCc1c(n(C)nc1)-c2c(C)sc(C(=O)O)c2	1
+n1c(c(CC)c(n1C)-c2csc(c2)C(=O)OC)Cl	2209
+c1c(CC)c2c(ccc(C=O)c2cc1)O	582
+CCc1cc(NC=2C(N(C=C(Br)C=2)C)=O)no1	523
+CCc1c(CC)cc(c(N)c1)N	0
+O(c1c(cc(c(c1)OCC)Br)CC)C(C)=O	385
+C(c1cc(cc(CC)c1-c2cccc(c2)CO)OCCCS(=O)(=O)C)C	41
+CCc1cc(cnc1CC)-c2nc(no2)-c3cc(CC)c(OCC4OC4)c(C)c3	72
+c1cc(ccc1Cn2c(ccc2)CC)-c3c(Br)cccc3	8405
+c1(CC)cccc(CC)c1C(Cl)=O	82
+CCc1cccc(CC)c1NC(=O)N2Cc3c(C(=O)O)n[nH]c3C2	6
+c1cc(ccc1-c2c(CC)ccnc2N)OC	89
+FC(F)(F)CCNC(=O)c1ccc(cc1)-c2csc(-c3cc(ncc3)CC)n2	1741
+O=S(=O)(Nc1onc(CC)c1Br)c2ccccc2	4506
+CCn1c(C(=O)Nc2cccc(C(c3ccc4c(C(C(N4)=O)=CNc5cccc(O)c5)c3)=O)c2)cc(C)n1	1300
+c12c(c3c(nn(c3CCCCN)CC)c(N)n1)CCCC2	3426
+CCn1nc(C)c2C(CCc3ccc(C)c(C)c3)NCCCc12	2967
+CCn1c(c(Cl)cn1)-c2coc(c2)C(=O)OC	697
+CCn1c2ccccc2c(C(Nc3ccc(cc3Cl)CC(O)=O)=O)c1	4
+CCn1c2ccccc2c(C(Nc3ccc(CC(OC)=O)cc3Cl)=O)c1	246
+CCn1c2ccccc2c(c1)C(=O)O	1
+CN(C)c1ccc2c(ccc(n2)C)c1	4507
+CC(C)(c1c(c(Oc2ccccc2C)ccc1)OC)C#N	2451
+CC1(C)C(c2c(cc(c(c2)OC)CCCCCC)C1)=O	8406
+CC(c1cc2c(cc1)N(C(=O)N2C)C)=O	8407
+CN(C)c1ccc(cc1)-c2oc3c(cccc3c2)C(=O)OC	4507
+CN(C)CCCOc1ccc(OCCCC)cc1CCCOC	76
+CC(c1ccc(OC)c(OC)c1)C(=O)OC	643
+COc1c(OC)cc(cc1)C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O	2968
+c1(cc(cc(OC)c1)NC(SC)=C(C#N)S(=O)(=O)C)OC	8408
+CC1(C)c2c(cc(cc2)OC)NC1=O	8409
+COc1cccc2ccc(CC)nc12	8410
+COc1nc(c(cc1)C(OCC)=O)C(C)C(=O)OCC	8411
+C[Si](C)(C)C#CC(OC)c1ccccc1C#Cc2ccccc2	4145
+C[Si](C)(C)C#Cc1c(C(C)C(OC)=O)cccc1	643
+C[Si](C)(C)CCOC(=O)N1C(CC(c2cc3c(ccc(c3)C=C)cc2)(OC)C1)C(OC)=O	76
+C[Si](C)(C)CCOCn1ccc2c1nccc2N(C)c3c(cc(cc3)[N+]([O-])=O)F	4260
+C[Si](C)(C)CN=C(c1cc(C#N)c(-n2ncnc2)cc1)SC	4508
+C[Si](C)(C)CN=C(SC)c1ccc(Br)c(C)c1	4508
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)COC	76
+Cc1c(cc2CCCCC(c2n1)OC)C(=O)OCC	76
+c12cccc(C)c1n(cc2)C	144
+COc1cc(C)ccc1Cl	65
+COc1cc(C)cc(C)c1CCCC	65
+c1c2c(ccc(c2)C(=O)OC)n(C)c1C	144
+Cc1n(C2=CC(=O)N(C)C=C2)c(nc1C#Cc3cccc(C)c3)C	8412
+Cc1c2c(n(C)n1)ncnc2Cl	2969
+Cc1c(CC(OC)=O)c(O)nc(SC)n1	2970
+Cc1nn(C)cc1N2c3c4cc(ccc4ncc3N(C2=O)C)Br	3954
+Cc1oc2cc(N(C)c3nc(Cl)ncc3)ccc2c1C(NC)=O	1121
+N1=NN(c2cccc(Cl)c2C)C(=O)N1C	2493
+Clc1cc2N(CCOc2c(C(=O)OC)c1)C	891
+Clc1cc(Cl)c(c([N+]([O-])=O)c1)OC	65
+Clc1cc(c(C=O)c(Cl)c1)OC	65
+O(C)c1ncc(c(Cl)c1)[N+](=O)[O-]	766
+Clc1cc(c(c([N+]([O-])=O)c1)NC)OC	2971
+Clc1cc(Br)c(c([N+]([O-])=O)c1)OC	65
+Clc1cc(C(=O)OC)c(c([N+]([O-])=O)c1)C	272
+Clc1cc(Br)c2c(n(cn2)C)c1	1652
+Clc1ccc2C(C(=O)Nc2c1)C	2528
+Clc1ccc2C(c3nc(sc3C=Cc2c1)C)c4c(nc(nc4)O)SC	8413
+Clc1ccc2c(I)nn(C)c2c1	2158
+Clc1ccc2cc(-c3cc(C=O)cnc3)n(c2c1)C	144
+Clc1cccc(C2=CC(=O)N(C)c3ccc(C(c4cccc(I)c4)=O)cc23)c1	4509
+c1c(Cl)c(c(cc1)Cl)C=2C(=O)N(c3c(c(nc(Nc4ccccc4)n3)N)C=2)C	8414
+Clc1cc(cc(Cl)n1)C	8415
+CC(c1c(Cl)cccc1F)C(OC)=O	643
+Clc1cccc(c1)-c2onc(C3N(C(SC)=NC)CCCC3)c2	1956
+C=1N(C(C([N+](=O)[O-])=C(C=1)Cl)=O)C	8416
+Clc1ncc(c(c1)C(=O)OC)[N+](=O)[O-]	272
+FC(F)(F)C(=O)NC(C(=O)NCCCc1n(c2ccccc2c1)C)CC	144
+FC(F)(F)C(=O)N1C2C(C)(C)C(C)(c3ccc(c(c3C2)OC)[N+](=O)[O-])CC1	65
+FC(F)(F)C(=O)N(C)C1CCN(CCC1)c2n(ncc2[N+](=O)[O-])CC(F)F	782
+FC(F)(F)C(N(CC1(CCN(CC1)C(OC(C)(C)C)=O)c2ccc(cc2)I)C)=O	782
+FC(F)(F)C(=O)N(CCc1ccn(S(=O)(=O)c2ccccc2)c1)C	782
+FC(F)(F)C(=O)N(c1ccc(cc1)I)C	239
+FC(F)(F)C(=O)N(C)c1ccc2nc(oc2c1)C	239
+FC(F)(F)C(=O)N(c1ccccc1C#N)C	239
+FC(F)(F)C(OC)c1cc(ncc1)C#N	76
+FC(F)(F)C=1N(C(N(C(C=1)=O)c2ccc3snc(Cl)c3c2)=O)C	1742
+FC(F)(F)C=1N(C(=O)N(c2c(cc(Cl)c3CCCOc23)F)C(=O)C=1)C	1742
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2cc(c(cc2F)Br)OCC	1742
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(cc(c(c2OC)N)Cl)F	1742
+FC(F)(F)C=1N(C)C(N(C(=O)C=1)c2cc(c(Br)cc2F)OCC=C)=O	1742
+FC(F)(F)CC(C(=O)N1C(=O)OCC1Cc2ccccc2)C	4082
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(OC)=O	272
+FC(F)(F)CCc1c(ccc(C(C)=O)c1OC)OCCCOc2cc(ccc2)[N+]([O-])=O	65
+FC(F)(F)CN(C)c1ccc(cn1)[N+]([O-])=O	1347
+FC(F)(F)COc1cc(ncc1C2CC2)C(=O)NC(c3nnn(C)n3)(CC4CC4)C	1694
+FC(F)(F)COc1nc(C(OC)=O)ccc1	272
+FC(F)(F)Oc1cc(N(C)S(=O)(=O)c2cccs2)c3c(c1)cc(C(=O)OCC)[nH]3	1214
+FC(F)(F)Oc1ccc(cc1)-c2cc3n(ccc3cc2)C	144
+FC(F)(F)Oc1ccccc1SC	2210
+FC(F)(F)S(=O)(=O)N(C)c1c(Oc2c(cc(cc2)Cl)Cl)cc(cc1)Cl	418
+FC(F)(F)c1n(C)c2cc(OC)ccc2c1C(=O)OCC	144
+FC(F)(F)c1c(Cl)ccc(Oc2c(cc(CSC=3N(C=C(Cc4cncnc4)C(=O)N=3)C)cc2)C#N)c1	8417
+FC(F)(F)c1c(c(OC)ccc1)F	65
+FC(F)(F)c1c(ccc(C#N)c1)Oc2ccc(C=C3SC(SC)=NC3=O)cc2OC	4510
+FC(F)(F)c1cc(nc2n(C)nc(I)c12)Cl	2969
+FC(F)(F)c1cc(ccc1)N2C(N(C)C(C(C(OCC)=O)=C2C)c3ccc(C#N)cc3Br)=O	1431
+FC(F)(F)c1cc(N2C(=O)C(c3ccc(cc3)F)(N(C)C2=O)COCC=C)ccc1C#N	1949
+FC(F)(F)c1c(C#N)ccc(c1)N2C(C(N(C)C2=O)(COCC=C)c3ccc(cc3)C#N)=O	1949
+FC(F)(F)c1cc(ccc1)N2C(=O)N(C)C(C(C#N)=C2C)c3c([N+]([O-])=O)cc(cc3)C#N	1431
+FC(F)(F)c1cc([N+](=O)[O-])c(N2CC(N(C)C(OC(C)(C)C)=O)CCC2)cc1	397
+FC(F)(F)c1cc(c(c(C(=O)OC)c1)C)[N+](=O)[O-]	272
+FC(F)(F)c1nc2ccc(-c3cc4ccccc4o3)cc2c(OC)c1	65
+FC(F)(F)c1cc(S(=O)(=O)N(C)C2CCCc3n(ncc23)CC(=O)OCC)cc(F)c1	693
+FC(F)(F)c1cc(ccc1C#N)Oc2ccc(cc2)-c3nc(cc(C=C)n3)C(OC)=O	272
+FC(F)(F)c1c(OC)cc2c(n(cc2C)C)c1	144
+FC(F)(F)c1c(cc2c(ccn2C)c1)F	144
+FC(F)(F)c1cc2ncn(-c3ccccc3)c2c(c1)-c4cc(N(C)C(C)=O)ccc4	239
+FC(F)(F)c1ccc(c2n(C)c(cc12)C(OCC)=O)OCc3ccccc3	144
+FC(F)(F)c1ccc(cc1)-c2cc(C)ccc2C(=O)OC	272
+FC(F)(F)c1ccc(cc1)C2N(C(=O)N(C)c3ccccc3)CCc4c2cccc4	620
+FC(F)(F)c1cc(C)c(C2=NC(C)(C)CO2)cc1	1297
+FC(F)(F)c1ccc(cc1)C=Cc2occ(n2)C(N(c3ccc(cc3)CCCCn4ccnn4)C)=O	816
+FC(F)(F)c1ccc(cc1)N(C(c2ccc(C#N)c(C)c2)=O)C	816
+FC(F)(F)c1cc2c(cc1)N(C(CC2(C)C)c3cc(Br)ccc3)C	891
+FC(F)(F)c1cccc(N2C=3CCNC(=O)C=3C(c4c(cc(C#N)cc4)Br)N(C)C2=O)c1	1431
+FC(F)(F)c1cccc(C(Nc2cc(N3C(c4c(nc(nc4)SC)N(C3=O)C)=O)c(cc2)C)=O)c1	8418
+FC(F)(F)c1cccc(c1)N2C(N(C)C(C=3C(CCC2=3)=O)c4c(cc(C#N)cc4)SC)=O	1431
+FC(F)(F)c1c(-c2c(C)c(cn2C)C(OC)=O)cccc1	819
+FC(F)(F)c1cnc(-c2ccc(cc2)CC(c3n(C)c4ccc(cc4c3SC(C)(C)C)OC)C(OCC)=O)cc1	144
+FC(F)(F)c1cc(c(nc1)-c2cc3N(C)C(N(C(C)C)c3cc2)=O)Cl	620
+FC(F)(F)C=1N(C)C(C(c2c(cc(c(OC)c2)Cl)F)=NC=1)=O	4511
+FC(F)(F)c1n(-c2cc(C=O)c(OC)cc2)nnn1	65
+FC(F)(F)c1cc(n(C)n1)C	1211
+FC(F)(F)c1nc(c(CN2C(=O)N3C=CC(c4ccc(cc4)Cl)=C(c5ccncc5)C3=N2)cc1)COC	76
+FC(F)(F)C=1N(C)C(C(=NC=1)c2c(cc(cc2)Cl)Cl)=O	4511
+FC(F)(F)c1cc(ccn1)N2C=3CCC(=O)C=3C(c4ccc(C#N)cc4Br)N(C)C2=O	1431
+FC(F)(SCC)C(OC)(c1c(F)cc(F)cc1)Cn2cncn2	76
+FC(F)(c1ccc(F)cn1)c2nc3cc(ccc3c(n2)SC)Br	4512
+FC(F)Oc1cc(Br)cnc1OC	766
+FC(F)c1cc(ccc1)N2C=3CCC(C=3C(N(C2=O)C)c4ccc(cc4)C#N)=O	1431
+C1CC(CCC1(F)F)C(C)(C)C(=O)OCC	1389
+CC1(C)C(N(c2c(N(C1)C3CCC(F)(F)C3)nc(Cl)nc2)C)=O	998
+C1CCC1N2c3c(cnc(Cl)n3)N(C(C(F)(F)C2)=O)C	998
+Fc1c(F)cc(F)c(F)c1C	1297
+c1(F)cc(cc(F)c1)C=2C(c3cc(ccc3N(C=2CC)C)F)=O	8419
+c1c(F)c(c(cc1)F)-n2c3c(C=C(Br)C(=O)N3C)cn2	8420
+Ic1c2c(nccc2[N+](=O)[O-])n(C)c1	2211
+Ic1n(C)c2CCNC(c2c1)=O	819
+C=1N(C(C=C(I)C=1)=O)C	8421
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)NC(SC)=NC#N	8422
+c1(c(cccc1)N(C(c2cc(C)c(C#N)cc2)=O)C)-c3ccco3	816
+c1(N=C(SC)NC)cc(C(=O)O)cc(c1)O	8423
+c1(nn(c2c1ccc([N+]([O-])=O)c2)Cc3ccc(C(=O)OC)cc3OC)OC	8424
+CC1=CC(N(c2ccccc2F)N1C)=O	3845
+N1=C(c2cc([N+]([O-])=O)ccc2)C(=CC=3N1C(=O)N(N=3)C)C	2668
+C(C)OC(N1CCC2C(C1)c3cccc4N(C(CN2c34)=O)C)=O	239
+o1c2c(ccnc2Br)nc1SC	8425
+Cc1nc(SC)nc(O)c1C	4311
+n1c(O)cc(CCC)nc1SC	8426
+N1(C)CCCC(C1)C(Nc2nc(-n3cnc4ccccc34)ccn2)C	1022
+S(C)c1nnc(CCCCO)n1C	8427
+Clc1c(cc2CCC(N(c2c1)C)=O)Br	239
+c1(c(c(N2C(c3ccc(OC)cc3N(C2=O)C)=O)ccc1)C)Br	620
+c1(c(c(N2C(c3ccc(cc3N(C2=O)C)F)=O)ccc1)C)Br	620
+c1cc2CCC(N(c2cc1F)C)=O	239
+C(OC)CN1CCC(N(C)c2cnc(Cl)nc12)=O	998
+c1c(OC)c(c(cc1-c2c(c(nc(n2)N)SC)C#N)OC)OC	8428
+c1(-c2nc(nc(SC)c2C#N)N)ccc3OCOc3c1	8429
+CC(C)(O)c1cccc(c1N)C	8430
+O(C)c1c(F)ccnc1N	542
+c1([N+]([O-])=O)ccc(c(NC)c1)O	2971
+N#Cc1nc(Cl)cc(NC)c1[N+](=O)[O-]	2971
+Nc1cc(cc(c1C(=O)OC)F)Br	272
+O(C(=O)CCCc1ccccc1N(C(c2cc(c(cc2)Cl)Br)=O)C)C	816
+COC(OC)c1nc(SC)ncc1	2970
+c1(C(=O)N(c2ccccc2OC)C)cc(c(cc1)Cl)Br	816
+c1(cc(ncc1)OC)-c2nnc(SC)n2C	4513
+CC(C)(C(OCC)=O)c1cc(Cl)c([N+]([O-])=O)cc1	2035
+O(Cc1cccc([N+]([O-])=O)c1)c2cc(c(cc2)C(=O)C)OC	65
+O(C)C1=CN=C(Cl)N(C1=O)C	8431
+COc1c(c(OC)c(OC)cc1)OC	65
+COc1cc2OCCC(c2cc1)=O	65
+O1CCOC12CCC(CC2)(OC)c3c(Cl)cccn3	76
+O1CCOC12CCC(=O)N(CC2)C	782
+O1CCOC1c2cccc(c2)C(C)(C)COC	76
+c1c(ccc2nonc12)C(=O)N(C3CCCOC3)C	497
+c12c(cc(c(c1)O)C(=O)O)cc(cc2)C(=O)OC	272
+O=C1c2cccc(c2N(C)C(=O)N1c3c(C)c(ccc3)Br)C	620
+O=C1c2cccc(F)c2N(C)C(=O)N1c3c(C)c(ccc3)Br	620
+O=C1N(c2c(C)c(ccc2)Br)C(=O)N(C)c3c(Cl)cccc13	620
+O=C1N(c2c(C)c(ccc2)Br)C(=O)N(C)c3ccccc13	620
+COc1c(ccc(c1OC)C=O)[N+](=O)[O-]	65
+O=Cc1c(OC)c(ccc1)O	65
+O=Cc1cc(C)c(c2c1CCC2)OC	65
+c1c(c(C=O)cc([N+]([O-])=O)c1)OC	65
+O=Cc1c(OC)c(Br)cc(c1)Br	65
+c1c(c(cc(c1)-n2nncn2)C=O)OC	65
+O=Cc1ccc(C(=O)OC)s1	272
+O=Cc1c(OC)c2c(cc1)CCC2	65
+O=Cc1c(c(ccc1)OC)Cl	65
+O=Cc1cccc2ccn(C)c12	144
+O=S(=O)(N(c1c(ncc(c1)Br)NC)C)C	4514
+c1ccccc1COc2ccncc2N(S(=O)(=O)C)C	1214
+O=S(=O)(N(C)c1nc(cc(C(OC)=O)c1)N(CCC)C)C	4515
+O=S(=O)(N(c1cc(ccc1)Br)C)C	418
+O=S(=O)(C)N(C)c1c(cc2c(C(=O)NC)c(-c3c(F)cc(cc3)F)oc2c1)Br	418
+c1cc(ccc1-c2c(c3c(o2)cc(N(S(=O)(=O)C)C)c(c3)Br)C(=O)NC)C#N	418
+O=S(=O)(C)N(C)c1ncc(c(C)c1)Br	4515
+O=S(=O)(N(C1CCCOc2ccccc12)C)CC	693
+O=S(=O)(N(C1c2c(OCCC1)c(cc(Cl)c2)C)C)CC	693
+O=S(=O)(N(CCCC=C)C)CCC(OC)=O	693
+O=S(=O)(Cc1ccccc1-c2nnc(SC)o2)N	8432
+c1ccccc1N(C)S(=O)(=O)c2cc(N3C(=O)N(C)c4ccccc4C3=O)c(Cl)cc2	620
+O=S(=O)(N(C)C(CO)C(CC)C)c1ccc(cc1)Cl	693
+c1cc(ccc1Cl)S(=O)(=O)N(C)C(CO)C(=O)OC	8433
+O=S(=O)(C)N(C)c1cc(cnc1N)Br	1214
+O=S(=O)(c1sccc1)N(C)c2ccc(Cl)c3cc(C(OCC)=O)n(COC)c23	1214
+O=S(=O)(N(c1cc([N+](=O)[O-])c(F)cc1)C)c2sccc2	418
+O=S(=O)(N(c1ccccc1C#Cc2cccn3nc(nc23)Cl)C)C	418
+O=S(=O)(C)c1n(C)c2CCCCc2n1	2968
+O=S(=O)(N)c1ccc(c(C(OC)=O)c1)F	272
+c1c2c(ccc1)C(=O)N(C2=O)c3c(OC)cc(S(=O)(=O)N(C)C)cc3	65
+O=S(=O)(c1ccc(c(Cl)c1)Cl)n2c(c(C(C)C(OC)=O)c3cccnc23)C	8434
+O=S(=O)(N(C)c1cccc(c1)-c2nn3c(cc2)nc(c3)NC(C)=O)c4ccc(cc4)C	418
+O=S(=O)(c1ccc(cc1)Cl)N(Cc2ccc(cc2)C(=O)NC(C)COC)C3C(CCCC3)C	76
+c1cc(ccc1S(=O)(=O)N(C2Cc3c(CC2)c(CC(=O)OCC)n4c3cccc4)C)F	693
+O=S(=O)(c1ccccc1)N(c2cc3c(c(c(-c4ccc(cc4)F)o3)C(=O)OC)cc2Br)C	418
+O=S(=O)(N(C)c1ccc(c([N+](=O)[O-])c1)F)c2ccccc2	418
+O=S(=O)(N(c1c2c(ccc1)cc(C(=O)OCC)n2COC)C)c3sccc3	1214
+O=S(=O)(c1ccccn1)N(c2c3[nH]c(C(=O)OCC)cc3cc(OCCOC)c2)C	1214
+O(C)C(OC)C(CNC(=O)c1cc2c(c(N(C)S(=O)(=O)c3ccccn3)ccc2)n1COC)SCc4ccccc4	1214
+c1cc(ccc1S(=O)(=O)n2ccc3C(Br)=CN(C(=O)c23)C)C	4516
+O=S1(=O)Cc2c(cccc2)N1C	418
+O=S1(=O)N(C)CC2(CC(N(Cc3cccc(OC(C)C)c3)CC2)C)N1c4cccc(F)c4	693
+O=S1(=O)c2ccc(OC)cc2N(C(=O)N1c3ccc(cc3)Cl)C	620
+O=S(=O)(N(c1ccc2c(c1)S(=O)(=O)NC(=N2)C=3C(=O)N(C4C(C5CCC4C5)C=3O)Cc6cc(C)c(cc6)F)C)C	418
+N(=[N+]=[N-])CC(OC)Cn1c(Cl)nc(c1)[N+](=O)[O-]	76
+c1(cc(cc(Br)c1OC)F)[N+]([O-])=O	65
+c1(cc(C)cc(O)c1)OC	65
+c1(nc(c2c(n1)scc2)-c3c(cccc3)F)OC	8435
+C1=C(C=2C(=O)N(C(=NC=2c3cc(F)ccc3)N)C)C=CC(=O)N1C	8436
+C1(C(SC(SC)=N1)=Cc2cc3c(cc2)nc(o3)C)=O	4510
+C1c2c([nH]c3ccccc23)C(N(C(SC)=S)C1C(O)=O)CCC	8437
+n1[nH]c(nn1)C2Cc3c4ccccc4[nH]c3CN2C(=S)SC	8438
+c1([N+](=O)[O-])c(c(Cl)cc(c1C(=O)OC)Cl)OC	272
+[N+]([O-])(=O)c1cc(c(OC)cc1F)F	65
+c1c(cc2Cc3c4c(C)cc(C)cc4n(C)c3-c2c1)F	144
+c1cn(C)c2nc(nc(Cl)c12)Cl	2211
+n1n(C)cc(c1C(=O)N)[N+](=O)[O-]	1211
+c1c(C(=O)c2ccccc2Cl)cc(c(OC)c1Br)CC	65
+Cc1n(c(C#N)c(c1C(=O)C)C)C	819
+c1(C(=O)N2CC(OC)CC2)cc3nccc(Cl)c3s1	76
+c1(C(=O)c2cc(Cl)nc(n2)C)cc(C)c3c(OC(=O)N3C)c1	1743
+c1(C(=O)c2cc(Cl)ncn2)cc(C)c3c(OC(=O)N3C)c1	1743
+c1(C)c(n(C)nc1)C(=O)OC	1211
+C(CC(=O)O)C(OC)c1cc(C)c(F)cc1	76
+c1(C)cc(ccc1F)C(OC)CC(CC=C)C(=O)O	76
+c1(C=O)cc2c(cc1)n(cc2Cc3c(cc(cc3)C(=O)OC)OC)C	144
+c1(C=O)ccc(c(c1)CC=C)OC	65
+c1(CCl)occ(n1)COC	76
+O(C)Cc1occ(n1)C(=O)OC	76
+c1(Cl)c(F)cc2ccn(c2n1)C	2211
+c1c(c(Cl)ncc1C(=O)OC)OC	542
+O(c1c(Cl)nccc1)C	542
+O(c1cc(Cl)cnc1Br)C	542
+c1n(c2c(c(Cl)nc(n2)Cl)n1)C	4115
+O(C)c1c(C(=O)C)cc(c(F)c1Br)Cl	65
+c1(cc(cc(F)c1C(C(OCC)=O)OC)OCC)F	8439
+O(C)c1c(I)c(C)c(Cl)cc1C(=O)C	65
+c1c(c(c(N)c(c1)C#N)C)OC	65
+c1(c2OCOc2ccc1Cl)N(C)c3nc(Cl)ncc3	1121
+CCC(c1ccc(c(F)c1OC)F)=O	65
+COc1c([N+]([O-])=O)c(ccc1)O	65
+NC1=NC(Cl)=CC(N1C)=O	8440
+c1([N+]([O-])=O)ccc2c(c1)n(cc2)C	144
+COc1cc([N+]([O-])=O)ccc1CC	65
+O(CCc1cc([N+]([O-])=O)ccc1Br)C	76
+c1([N+]([O-])=O)ccc2n(C)nc(c2c1)C#N	2158
+c12c(cc([N+]([O-])=O)cc1)N(C(=O)O2)C	1743
+n1n(C)c(cc1C(=O)OC)[N+](=O)[O-]	1211
+c1(c(c(C)ccc1)C(=O)OC)Br	272
+O=S(=O)(C)c1c(c(C(O)=O)c(F)cc1)F	8441
+c1(c(C2=NC(C(N(C)c3ccc([N+]([O-])=O)cc23)=O)C)cccc1)F	239
+O(C)c1c(c(F)c(Cl)cc1C(=O)C)I	65
+COc1c(c(F)ccc1[N+]([O-])=O)F	65
+c1(c(F)ccc(c1)C(=O)OC)[N+]([O-])=O	272
+c1(c(F)cccc1Cl)-c2nc3cc(C(C)C(OC)=O)ccc3o2	643
+c1([N+]([O-])=O)cccc(OC)c1N	65
+c1c(ccc2c(c(n(c12)C)-c3cnccc3)C#N)F	144
+Cn1nc(N)c(c1N)C#N	1211
+N1=NN(c2c(c(Br)ccc2)C)C(=O)N1C	2493
+c1(C(=O)OC)c(c(cnc1)F)Cl	272
+c1ncn(c1)CCC(=O)c2c(C)n(c3ccccc23)C	144
+COc1c(c(F)ccc1)F	65
+c1(c2c(nccc2Br)n(C)c1)C=O	2211
+c1ncc2C(N(C=C(Br)c2n1)C)=O	8442
+C(c1cn(c2ccc([N+]([O-])=O)cc12)C)c3c(cc(cc3)C(=O)OC)OC	144
+c1(cc(C=O)ccc1)-c2nnn(C)n2	1694
+c1(cc(C(=O)OC)c(cc1Br)[N+]([O-])=O)F	272
+c1(cc(Cl)c(OC)cc1F)[N+]([O-])=O	65
+C(=O)(c1cc(cc(Br)c1C)F)OC	272
+c1(C)cc(cc(C)c1C=2C(=O)CCC=2OC)Br	8443
+c1(cc(cc(C)c1N=C2N(C(N(C)C(=C2)c3ccc(O)c(OC)c3)=O)C)C)C	65
+C1C(CC1)N(C)C(c2cc(ccc2OC)Oc3c(cc(cc3Cl)COC)Cl)=O	497
+Fc1cc(cc(F)c1[N+](=O)[O-])OC	65
+c1(cc(cc(C(=O)OC)c1C)Br)[N+]([O-])=O	272
+c1(C)nc(-c2nc(ccc2)Br)cc(OC)c1	65
+c1ccc(-c2nc3ccccc3n2C)cc1Br	1652
+c1(cc(N(C(C)=O)C)ccc1)Br	239
+c1(cc2N(C(=O)Oc2cc1Br)C)F	1743
+c1(cc2c(n(cc2)C)cc1Br)F	144
+c1cc(Br)nc(C(=O)OC)c1OC	542
+Clc1cc(OC)c(cc1)[N+]([O-])=O	65
+c1(cc(NC(C)=O)ccc1[N+]([O-])=O)OC	65
+c1(c(c(c(F)cc1)F)C(=O)OC)Br	272
+c1c(c(cc(c1)C(=O)OC)C#N)OC	65
+c1(ccc2Cc3c(-c2c1)n(C)c4ccccc34)OC	144
+c1(cccc(C#N)c1)-n2nc(nn2)C3N(C(SC)=NC)CCC3	1956
+c1(cccc(c1)CCC=2N=C(N)N(C(=O)C=2)C)Br	8444
+c1cc2ccccc2c3c1N(C(=O)CC(=O)N3C)c4cc(ccc4)C#N	239
+c1(cccnc1Br)COC	76
+C=1N(C(C(=CC=1)C(=O)OC)=O)C	8445
+c1(ccnc(OC)c1Br)C	766
+CSc1nc(nc(SC)c1C#N)N	4512
+c12c(ncc(Br)c1n(cc2)C)Br	144
+O(C(CCCCCCn1ccc(n1)-c2c(cccc2)OC)=O)CC	65
+c1cc2C(N(C)N=Nc2s1)=O	8446
+c12OC(=O)C3=C(C(C(C(=O)OCC)=CN3C)=O)c1cccc2	8447
+Cc1cn(c2C(CCNC(=O)c12)=O)C	819
+Cn1cc(C)c2c1cccc2	144
+O(C)C(c1c2ccccc2n(C)c1)=O	144
+CC1(C(=O)OC)CCOc2c1cc(c(F)c2)C#N	2035
+C1(=C(C(N(C)c2c1cccn2)=O)C(=O)C)O	8448
+c1(c2c(cccn2)n(C)c1)C=O	8449
+c12c(cc(cc1C(OC)=O)CCOC)cccc2	76
+C1c2c(CC1(c3cn(Cc4ccccc4)cn3)COC)cccc2	76
+c1c2cc(C)c(cc2ccc1)C(C#N)C	4517
+CN(c1c(CC)cc(-c2cccs2)nc1)c3ncc4c(c3)n(cn4)C	8450
+CN1C(=O)c2c(Cl)nc(cc2N=C1)Cl	8451
+C(C)OC(C=1C(c2c(ccc(C(=O)c3c(c(OC)c4ccccn34)C)c2)N(C)C=1)=O)=O	8452
+c1cc2ccccc2c(OC)c1Br	65
+COc1cccc2ccc(C)nc12	542
+c12cccc(OC)c1ccc(N)c2	65
+c12ccccc1-c3c(cccc3)C2COC(NC(CO)(C(OC)=O)C)=O	325
+c12nc(C)ccc1C(=O)N(C)c3ccccc3N2	816
+c1c(c(SC)c2ccccc2n1)N	2210
+c1[nH]c2c(c1CC(OC)=O)cc(OC)cc2	325
+c1c(Br)cc2CN(C(c2c1)=O)C	497
+c1c(C)c(C(=O)OC)c(Cl)nc1Cl	272
+c1c(C)c(c(cc1)C)COc2cccc(c2)C(C(=O)OCC)C	643
+c1(C)cc(cc(C)c1C#N)C(C(c2c(cc(OC)cc2)Cl)C)=O	1566
+c1c(C)c(c(cc1COC)C)Oc2nc(cc(NC(CC)CC)c2C)C	76
+c1(OC)cc(F)cc(c1)CC(OC)=O	65
+c1c(c(Br)c(C)cc1)CCOC	76
+c1c(CO)c2N(CCCc2cc1)C	891
+c1(F)cccc(F)c1Cc2cc(OC)c(OC)c(c2)Br	65
+c1c(I)cc(c(NC2=CC(=O)N(C)C=C2[N+]([O-])=O)c1)F	8453
+c1cc(c(Br)nc1I)OC	542
+c1(cccc(NC)n1)N	4514
+c1c(O)c(C2=NN(C)C(=O)O2)ccc1	8454
+c1c(c(c(cc1C(=O)OC)O)Cl)OC	65
+c1(OC)cc(cc(O)c1)C(=O)C	65
+c1c(OC)c(Br)cc(-c2n(c(cc2C)C(=O)OC)C)c1	819
+CC(C)(C(=O)OC)C(=O)c1c2c(c(OC)cc1)nc(CC)cc2	8455
+COc1cc(cc(OC)c1)C(c2ccc3ccn(C)c3c2)=O	144
+c1c(OC)ccc([N+]([O-])=O)c1F	65
+c1c(c(c2cc(C)n(c2c1)C)F)OC	144
+c1c(F)c(ccc1OC)C#N	65
+c1c(Br)c(OC)c(cc1C(=O)OC)F	65
+c1c(F)c(c(cc1F)OC)[N+]([O-])=O	65
+c1c(c(C)cc(OC)c1F)Br	65
+c1(c([N+]([O-])=O)cc(CC)c(F)c1)OC	65
+C(OC)C1Oc2c(cc(C)cc2C1)[N+]([O-])=O	76
+c1c(cc(C)c(C(=O)OC)c1)Br	272
+c1cc(c(cc1I)C=O)OC	65
+c1(ccc(I)c(c1C)Cl)Br	1297
+c1c(cc(Cl)c(c1)C(C)C(c2c(F)cc3OCC(N(c3c2)C)=O)=O)Br	1566
+c1c(cc(Cl)c(c1)C(C)C(c2cc3N(C(COc3cc2)=O)C)=O)Br	1566
+N1(C(=O)N(c2ccc(cc2F)Br)C=N1)C	2668
+c1c(cc(SC)c(Cl)c1)Br	2210
+c1c(cc(c(F)c1)OC)Br	65
+c1c(cc(c(Nc2c(c3c(cc2C(=O)OC)n(cn3)C)Cl)c1)Cl)Br	1652
+c1c(cc2N(C(COc2c1)=O)C)Br	239
+c1c(cc2C3(CN(C)CC3)CN(c2c1)C(Nc4ncc(Cl)s4)=O)Br	1022
+c1c(cc2n(c3CCCC(=O)c3c2c1)C)Br	144
+c1cc2n(c3c(C(NCC3)=O)c2cc1F)C	144
+COc1cnc(cc1)Br	542
+Clc1cc(N(C)C=O)ccc1F	816
+c1c(cccc1CCC(OC)=O)O	325
+COc1cccc(SC)c1	2210
+c1cc(OC)cc2CCC(Nc12)=O	65
+c1c(ccc2nc(SC)sc12)O	8456
+c1cnc(nc1-c2cn(C)c3ccccc23)Cl	144
+C1c2ccccc2N(C)C(=O)C1	239
+c12CCOC(N(C)c1cccc2)=O	1743
+c12c(cccc1Cl)N(C(C2=O)=O)C	3567
+c1c2ccc(nc2c(c(c1)F)C)OC	766
+c12N(C)CCCc1cccc2	891
+n1(c(SC)nnc1-c2ccc3ccccc3c2)C	4513
+C=1c2c(cccc2)N(C)C(=O)C=1C(=O)OCC	8457
+c12c(ccc(c1F)Br)ccn2C	144
+c1(ccc(cc1OC)F)Br	65
+c1cc(CNc2nc(nc(c2C(=O)OC)Cl)Cl)cc(Cl)c1OC	272
+c1c(cc(Br)c(c1OC)OC)C2c3c(OC(=C2C#N)N)c4cccc(OC)c4cc3	65
+COc1ccc2N(C(CC(CC(OC)=O)c2c1)=O)C	239
+c1cccc2sc3c(OC)cccc3c12	8458
+c1c(OC)c(ccc1C(=O)OC)C#N	65
+c1c(c(ccc1C(=O)C)CC)OC	65
+c1c(c(C(=O)O)c(c(F)c1)C)OC	1297
+c1cc(ccc1)-c2c(c3c(ccc(c3)Br)n2C)C	144
+c1cc(ccc1)-c2c(c3ccccc3n2C)C(C)=O	144
+c1cc(ccc1)-c2cc(c(OC)cc2)I	65
+c1cc(ccc1)-c2noc(c2-c3oc(nn3)-c4cc5ccn(C)c5cc4)C	144
+c1ccccc1C(N(CC(CCOC2OCCCC2)c3cc(Cl)c(Cl)cc3)C)=O	497
+c1cc(ccc1)C(CC=C)(COC)C	76
+C1CCCC1C(c2ccccc2)(C)C(=O)OC	2035
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)NC(COc4c5c(ccc(c5)Cl)on4)COC	76
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC4CC(CCC4NC(=O)OCc5ccccc5)OC	76
+c1cc(ccc1)COCC2CC2(CN(C)S(=O)(=O)c3ccccc3)c4ccccc4	693
+c1ccccc1C2CCc3c(-c4c(C)onc4C)ccc5N(C(=O)N2c35)C	620
+c1cc(ccc1)CC2N(Cc3c(C(=O)N(C2)C)cccc3)S(=O)(=O)c4ccccc4OC	497
+c1ccccc1CN(Cc2ccccc2)CC(OC)CN3CCN(CC3)C(=O)OC(C)(C)C	76
+c1cc(ccc1)COC(=O)N2CC(COC)(CC2)F	76
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3nc(OC4CC(C=C4)OC)c5ccccc5n3	4237
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(OC)=O	325
+c1cc(ccc1)COC(=O)c2c(C)n(C)c3ccc(cc23)OCCCl	144
+c1ccccc1COCC(OC)COCCCCCCCCCCCCC2CCCCC2	76
+c1cc(ccc1)COCC(F)(F)CCCOC	76
+c1cc(ccc1)COc2nc(cc(OC)c2C(=O)OCC)C	65
+c1cc(ccc1)COc2cc3c(c(c2)Cl)cc(C(=O)OCC)n3C	144
+c1cc(ccc1)N=C2NC=CC(=O)N2C	8459
+c1cc(ccc1)Oc2c(C(OC)=O)cc(C(=O)c3ncc(cc3)N(C)c4ccc(cc4)Cl)cc2	4085
+c1ccccc1S(=O)(=O)n2c(cc3c2nccc3Br)C	4518
+c1cc(ccc1)S(c2c3c(cccc3)n(c2)C)=O	144
+c1cc(ccc1Cl)-c2n(C)cc(C(OCC)=O)c2C	819
+c1cc(ccc1-c2n(C)c3c(c2CCC(=O)O)cc(cc3)Cl)Cl	144
+c1ccccc1-c2ccc(cc2)-c3c(F)cc4nc([nH]c4c3)SC	8460
+c1cnccc1-c2c(n(C)c(Br)c2-c3ccc(cc3)F)C(=O)OC	819
+c1cc(ccc1OC)-c2nsc(NC(=O)C3C(C)C3)c2C	65
+c1cc(ccc1OC)-c2nc(SC)nnc2-c3ccc(cc3)OC	2970
+c1cc(ccc1C(N(C)Cc2cccc(c2)OC)=O)-c3cc(ccc3C)-c4nnc(C)o4	497
+c1cc(ccc1-c2c(cc(cc2)N3C(N(CC3)C)=O)C)C(OC)=O	2972
+c1cc(ccc1C(=O)N(OC)C)-c2nnn(C)n2	1694
+c1cc(ccc1-c2c(c3c(cc(N(S(=O)(=O)C)C)c(c3)Br)o2)C(=O)NC)F	418
+c1cc(ccc1-n2ncc3cc(I)ccc23)C(OC)=O	272
+c1cc(ccc1-c2c(cn(C)c2C(OCC)=O)C#N)Br	819
+c1cc(ccc1Br)C(C)C#N	4517
+c1cc(ccc1Br)C(C(=O)O)C	643
+c1cc(ccc1Br)CC(c2ncc(CC(C)(C)CC)n2C)N(C)C(=O)OCc3ccccc3	4239
+c1cc(ccc1C(c2cc3c(cc2)N(C)C(C=C3c4cccc(OC)c4)=O)=O)Cl	4509
+c1cc(ccc1C(=O)N(CC2CC2)C)-c3cc(ccc3C)-c4nnc(C)o4	497
+c1cc(ccc1N(C)CCOC)C(OCC)=O	76
+c1cc(ccc1C(c2cc(C)c(c(C)c2)OC)=O)[N+](=O)[O-]	65
+c1cc(ccc1C)C2=C(C(CCC)C(OC)=O)C(N(C)C(N3CCCCC3)=N2)=O	8461
+O1CCOC12CCC(CC2)(OC)c3ccc(cc3)F	76
+c1cc(ccc1NC(Nc2ccccc2Oc3n(-c4ccccc4Cl)nc(c3)C)=O)C5CCN(CC5)C	1022
+c1cc(ccc1Cl)C2CN(C(=O)c3sc(Br)cc23)C	497
+c1cc(ccc1[N+](=O)[O-])-c2[nH]c(SC)nc2	8462
+c1cc(ccc1)CC2COC(=O)N2C(=O)C(c3ccc(cc3)OC)C	2528
+c1cc(ccc1CC(OC)=O)-c2nccnc2Cl	325
+c1cc(ccc1Br)C(C(=O)OCC)C	643
+c1cc(ccc1CNC(c2cnc3n(ncc3c2)C)=O)S(=O)(=O)c4ccccc4	2969
+c1cc(ccc1CCCOC)Cl	76
+c1cc(ccc1Cl)Nc2ncnc3cc(OC)c(c(CC=C)c23)OC	65
+c1cc(ccc1F)-c2ccc(cc2)C(N(C)C3CCc4cc(ccc4C3)C#N)=O	497
+c1cc(ccc1Cl)N(C(c2c(-c3ccc(cc3)F)nc4ncccn24)=O)C	816
+c1cc(ccc1F)-c2c(c3c4CC(C)Oc4c(cc3o2)N(S(=O)(=O)C)C)C(NC)=O	418
+c1cc(ccc1F)C(=O)C2CCN(CC2)c3ccc(nn3)C(N(C)CCC4CC4)=O	497
+c1cc(ccc1F)Cc2ccccc2OC	65
+c1cc(ccc1F)S(=O)(=O)N2CCN(CC2C(=O)OCC)C	1022
+CC(C)(OC)c1ccc(cc1)N2C(CC)=NC(CCC)=C(Cc3ccc(cc3)-c4ccccc4C#N)C2=O	76
+C1CN(CCC1(OC)CC2CCCCC2)c3ccc(cc3)C(=O)OCC	76
+C1CN(CCC1(OC)Cc2c(F)cccc2)c3ccc(cc3)C(OCC)=O	76
+c1cc(ccc1[N+]([O-])=O)N(C)C(=O)CC	239
+c1cc(ccc1N(CC#N)C)F	891
+c1cc(ccc1C2C(C(OCC)=O)N(C(=O)C2)C)OC	65
+c1cc(ccc1OC)-c2ccc3c(ccc(OC)c3C)c2	8463
+c1cc(ccc1CN2C(=O)C(N(C2=O)C)CC(OC)=O)OC	1949
+c1cc(ccc1Br)OCC(OC)CN(C)C	76
+CC(C)(C(OCC)=O)Oc1ccc(cc1)OCCC2N(C(N(Cc3cc(C)c(C)cc3)C2)=O)C	2972
+c1cc(ccc1-n2c3ccccc3cc2CCOC)OCc4ccccc4	76
+c1cc(ccc1Oc2cc(C(=O)OC)cc(OC3C(=O)N(C)CC3)c2)-c4oc(C)nn4	782
+c1cc(ccc1OC)S(=O)(=O)N(c2c(C(OC)=O)cccc2C)C	418
+c1cc(ccc1Br)S(=O)(=O)N(c2cccc(OC)c2)C	418
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(C)c5cc(OCc6ccccc6)c(OC)cc45)C	144
+c1cc(ccc1Sc2ccc([N+](=O)[O-])cn2)CCC(=O)OC	325
+c1cc(ccc1[N+]([O-])=O)C(COC)CC	76
+c1cc(ccc1N2CCCN(C2=O)C)[N+]([O-])=O	2972
+c1c(Br)cc2CCC(N(c2c1)C)=O	239
+c1c(Br)cc2CC(C)N(C)c2c1	891
+S(C=1N(C(=O)c2c(ccc(c2)Br)N=1)C)C	8464
+N1(C)C(=O)c2n(c(cc2Nc3ccccc13)C)C	816
+c1cc2cnc(CCCOC)n2cc1Br	76
+O=C1c2ccccc2C(=O)N1c3n(nc(-c4ccccc4)c3)C	1211
+c1cc2c(-c3c(cccc3)C2(COC)CO)cc1	76
+c1c2c(ccc1)c3c(cccc3)n2C	8465
+c1(C=2C(=O)N(C)C(C=2Br)=O)cn(C)c3ccccc13	144
+c1cc(ccc1)-c2n(C)c3c(cc(Br)cc3)c2CCCCC	144
+c1ccccc1-c2c(c3c(Br)cccc3n2C)C	144
+c1ccccc1-c2c3c(N=C(N(C)C3=O)SC)oc2Br	8466
+c1ccccc1-c2ccc(cc2)-c3cc(cc4ccn(C)c34)[N+](=O)[O-]	144
+c1ccccc1C(=O)c2c(N)c(ccc2)CC(OC)=O	325
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(OC)CSCCCCCCCCCCCCCCCC	76
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(CSc4ccccc4OC)OC	76
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(OC)COCc4ccccc4	76
+c1ccccc1C(OC)c2cc(SC)ncn2	76
+c1cc(ccc1)-c2nc(SC)sc2C	8467
+c1ccccc1C=Cc2cc(ccn2)-c3[nH]c4c(c(nc(SC)n4)O)c3	8468
+c1ccccc1COC(=O)NC(Cc2ccccc2)C(=O)OC	325
+c1cc(ccc1)C(C)C(OCC)=O	643
+c1ccccc1CCCN2c3c(N(C(=O)C(F)(F)C2)C)cnc(Cl)n3	998
+c1ccccc1CN(C2CC3C(CN(C)C(=O)C3)C2)C	782
+c1ccccc1CN(Cc2ccccc2)CC3CCN(CC3)CC(C)(C)OC	76
+c1ccccc1CN(Cc2ccccc2)c3c(COC)c([N+](=O)[O-])ccc3	76
+c1cc(ccc1)CN(C)CC2CNC(=O)c3c4c(ccc3)[nH]cc24	1022
+c1ccccc1COC(=O)N2CCC34CCCCC3C2Cc5c4cc(c(I)c5)OC	65
+c1ccccc1COC(N(C)CC(=O)N(C)c2ccc(cc2)COC)=O	76
+c1ccccc1COC(N2CCC34c5cc(OC)c(cc5CC2C3CCCC4)[N+]([O-])=O)=O	65
+c1ccccc1COC(NC(C(OCC)=O)CCC(NC(Cc2c[nH]c3c2cccc3)C(=O)OC)=O)=O	325
+c1ccccc1COC(NC(Cn2c3cc(OC)ccc3cn2)C)=O	65
+c1ccccc1COC(=O)Nc2cc(I)cnc2OC	766
+c1ccccc1COc2ccc(nc2C(OC)=O)OC	766
+c1ccccc1COC2=CC(=CN(C2=O)C)Br	8469
+c1cc(ccc1)COc2cc(C(=O)OC)cc(OC)c2Br	65
+c1ccccc1COc2cc(c3c(Oc4c(cccc4)C3=O)c2)OC	65
+c1ccccc1COc2cc(C(OC)=O)c(OC)cc2	65
+c1ccccc1COc2c(OC)c(cc(F)c2)CO	65
+c1ccccc1COc2cccc(C3(CCOC(C3)C)OC)c2	76
+c1ccccc1COc2ccc3c(n(cc3C(C(OC)=O)=O)C)c2	144
+c1ccccc1COc2ccc(C#N)c(OC)c2	65
+c1ccccc1COc2ccc(Cl)c3cc(n(C)c23)C(=O)OCC	144
+c1ccccc1COc2cc3ccn(C)c3cc2	144
+c1ccccc1COc2nc(C)cc(C)c2CN3CCc4c(cc(C(OC)CC)c(Cl)c4C3=O)Cl	76
+c1ccccc1Cc2c3c(n(C)c2C)ccc(Br)c3	144
+c1cc(ccc1)Cc2c(OC)ccc(Br)c2	65
+c1ccccc1Cn2c3c(C(=CN(C3=O)C)Br)cc2C(=O)OCC	4516
+c1ccccc1Oc2cccc3c(OC)c(nc(c23)Br)C(=O)OC	542
+O=S(=O)(c1ccccc1)n2c(C)cc3c2ncc(c3)OC	4518
+c1nc(Cl)nn1-c2ccc([N+]([O-])=O)cc2OC	65
+c1nc(c2CN(C(=O)c3cc(ccc3-n12)F)C)C(=O)OCC	497
+c1nc(ncc1)N(C)c2ccc(cc2)I	8470
+c1nc(ncc1Br)COC	76
+c1nc(ncc1COC)Cl	76
+n1(ncc2c1cncc2Br)CCOC	76
+n1c(c(ccc1OC)N(C(=O)c2cccnc2Cl)C)Br	8471
+c1c(c(nc(C)c1)Br)OC	542
+c1c(c(nc(c1)CO)Br)OC	542
+n1c(OC)ccc(c1)C=2C(=O)N(C(=NC=2c3cc(F)ccc3)N)C	8472
+c1c2ncccc2ccc1OC	65
+c1n(C)cc(n1)[N+](=O)[O-]	2968
+c1cc(cc(OC)c1F)C#Cc2cc(C#N)cnc2	65
+n1cc(OC)ccc1F	542
+c1ncncc1N(C)c2cc(cc(Cl)c2)Br	8473
+c1nc(ncc1Cc2cnc(SC)nc2O)C	4519
+c1nc(ncc1Cc2cnc(SC)nc2O)OC	4519
+o1c(-c2csc(c2)Cl)cc(C3N(C(SC)=NC)C4CC4C3)n1	1956
+o1c2c(C(N(C=C2Br)C)=O)cc1C=O	8474
+o1c2cccc(OC)c2c(C)c1C(=O)OCC	65
+c12c(c(C(=O)C)c[nH]1)ccc3OCCc23	8475
+c1cc(ccc1C#N)-c2scc(-c3ccccc3)n2	8476
+c1cc(ccc1)CC(CN(C)C)N	15
+FC(F)(F)c1cc(ccc1CN2CCC(CC2)C=C3SC(N=C3NC(C(=O)N(C)C)CO)=O)C(F)(F)F	8477
+CN(C)C(C(CO)N)=O	334
+CN(C)CC1(CCCCC1)c2cc(c(Cl)cc2)Cl	15
+CN(C)C(C1C(=O)Nc2cc(N)ccc2C1)=O	890
+CN(C)C(C=1C2N(C(=O)N(C(COC)C=1)C2)OCC=C)=O	4236
+CN(C)CCCc1cc(c[nH]1)CCCC	15
+CN(C)C(=O)COc1ccc2c(n(nc2)-c3c4CS(=O)Cc4nc(n3)-c5sc(cc5)Cl)c1	441
+CN(C)C(=O)COc1ccc2c(n(-c3nc(-c4sc(cc4)Cl)nc5c3CSC5)nc2)c1	2973
+CN(C)C(=O)Cn1ncc2cc(ccc12)Oc3ccc(cc3CN)F	107
+CN(C)C(N1c2c(c(Nc3ncc(C#N)s3)ncc2)CC1)=O	1178
+CN(C)Cc1[nH]c2c(cc(Br)cc2)c1	729
+c1cc(ccc1NC(Nc2ccc(C(N(C)C)=O)c(c2)F)=O)Br	124
+CN(C)Cc1cccc(c1)NS(=O)(=O)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3	162
+c1cc(ccc1O)-c2cc(C(N(C)C)=O)cc(C#CCCCCCc3c(c(OCCCC(=O)O)ccc3)CCC(O)=O)c2	11
+CN(C)Cc1cc(N)ccc1Br	162
+CN(C)C(=O)c1oc2c(c1)cccc2N3CCNCC3	25
+CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3c(s2)-c4c(cc(cc4)C(O)=O)OCC3)c(Cl)c1	1
+CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3CCOc4cc(C(OC)=O)ccc4-c3s2)c(Cl)c1	833
+CN(C)C(c1cnc(cc1)N)=O	1341
+CN(C)C(c1c2c(n(-c3nc(N)ncc3)n1)cc(cc2)Br)=O	2973
+C1CN(CCN1c2cccc3c2oc(c3)C(N(C)C)=O)CCc4nc(ccc4)OC	236
+CN(C)C(C(Oc1c2c(ccc1)ncnc2Nc3ccc4n(Cc5ncccc5)ncc4c3)C)=O	2212
+CN(C)C(=O)C(N=C1NC(SC1)=O)CO	8478
+c1cc(ccc1NC(=O)C)C(C(CC)N(C)C)O	74
+CN(C)C(CN)(C)CCCC	51
+CN(C)C(C1Cc2c(NC1)cc(cc2)N)=O	8479
+CN(C)CC1Cc2ccccc2NC1	8480
+c1cc(ccc1C2C(C2)CN(C)C)Br	15
+CN(C)CC1Cc2c(cc(cc2)N)NC1	15
+c1cc(ccc1Cl)-c2n(c(C(=O)CC)cc2C)CC	8481
+CN(C)C(=O)Cn1ncc2c1ccc(Oc3c(cc(cc3)F)C#N)c2	8482
+c1(nc(nc(C)c1C(NC(CNC(c2cccs2)=O)C(OCC(N(C)C)=O)=O)=O)NCCCc3cccc4c3cn[nH]4)C	3350
+CN(C)C(C)(CCCC)CNC(=O)c1ccc(c(Cl)c1)Cl	93
+C1CN(CCN1CC(N(C)C)=O)c2cc(OC)c(Nc3ncc(c(-c4c5n(nc4)cccc5)n3)Cl)cc2[N+](=O)[O-]	34
+CN(C)C(CN1CCc2cc(N)ccc2CC1)=O	0
+CN(C)C(CN1CCc2ccc(cc2CC1)Nc3ncc(c(Nc4c(F)cccc4C(=O)NCC)n3)Cl)=O	55
+c1cc(ccc1F)CN(C(=O)CC(C(=O)OC)=O)OCC(=O)N(C)C	2935
+O=S(=O)(C)c1cn(c2nc(-c3cc(c(cc3)OC)F)nc(C)c12)-c4cccc(OCC(=O)N(C)C)c4	4520
+CN(C)C(COc1ccc2CCN(c3c4c(CS(=O)C4)nc(-c5cccnc5)n3)c2c1)=O	4521
+CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2	15
+ClC(Cl)(Cl)c1nc(OC(N(C)C)=O)cc(CCl)n1	8483
+CN(C)C(=O)NC1Cc2c(n(Cc3nc(F)ccc3)c4ccc(cc24)C#N)C1	2675
+CN(C)C(=O)Oc1cc(F)ccc1C#N	2047
+c1cc(ccc1Br)N2CCC(CC2)OC(=O)N(C)C	2469
+CN(C)C(N(CCO)CCCc1ccc(cc1)C#N)=O	776
+CN(C)C(N(CCO)CCOc1ccc(cc1)C#N)=O	776
+c12c(cccc1)C(=O)N(C2=O)CCCCc3ccc(cc3)OC(=S)N(C)C	8484
+c1c(F)c(c(cc1OCC)F)Cn2c3CCCc3c(-c4nc(c(OC)cn4)N)n2	8485
+C1CC1c2n(nc(c2C)-c3nc(c(OC)cn3)N(C)C)Cc4ccc(cc4)OC	8486
+CN(C)C=CC(=O)c1c(C)n(c(C#N)c1C)C	8487
+c1ccccc1CN2CC3CC(C(=CN(C)C)C3=O)C2	8488
+c1cc(ccc1C(=O)N2CCC(C(c3c2cccc3)=O)=CN(C)C)[N+]([O-])=O	4522
+CN(C)C=C(COC)C(=O)c1c[nH]c(C(=O)NC(CO)c2ccccc2)c1	4522
+CN(C)C(N(CC=O)CCCc1ccc(cc1)C#N)=O	24
+c1cc(ccc1C#N)OCCN(C(=O)N(C)C)CC=O	24
+c1cc(ccc1-c2nc(sc2)N(C)C)[N+](=O)[O-]	354
+CN(C)C(=O)N1c2ccnc(N)c2CC1	2664
+CN(C)C=CC(=O)c1ccnc(Cl)c1	8489
+CN(C)C=Nc1c(C#N)c(Nc2cc(ccc2)C)n[nH]1	8490
+CN(C)C(c1c(nc2n(C(C)C)nc(c2c1NC3CCOCC3)C)-c4cccc(OCC5OC5)c4)=O	72
+CN(C)C(c1c(-c2cccc(OCC(CNC)O)c2)nc3n(C(C)C)nc(c3c1NC4CCOCC4)C)=O	122
+C[Si](C)(C)C#Cc1cc2c(cc1)c(C(N(C)C)=O)nn2-c3ccnc(N)n3	8491
+CN(C)C(=O)c1cc(cc(c1)C#CCCCCCc2c(c(OCCCC(=O)O)ccc2)CCC(O)=O)Br	121
+CN(C)C(=O)c1ccc(N=[N+]=[N-])nc1	8492
+C[Si](C)(C)CCOCn1cc(-c2ccncc2)c3c1nc(nc3NC4CCOCC4)Nc5c(C)cc(cc5)C(=O)N(C)C	55
+CN(C)C(=O)c1c(cc(N)cc1)F	0
+n1cccnc1C(O)(C#Cc2ccc3c(C(N(C)C)=O)nn(-c4ccnc(N)n4)c3c2)C	8493
+CN(C)C(c1oc2c(F)c(c(c(C#N)c2n1)C)-c3nc(sc3)C)=O	963
+CN(C)C(c1oc2c(N3CCC(N(C)C)C3)c(-c4nc(C)sc4)c(C)c(C#N)c2n1)=O	8494
+CN(C)C(c1oc2c(N3CCN(CC3)CCc4cc5c(cc4)N(CC5)C(C)=O)cc(cc2c1)F)=O	28
+CN(C)C1(CN(CC1)c2ccc(cc2F)N3C=Cc4cc(OCC5OCCC5)ccc4C3=O)C	79
+C1CC(CCC1CC(OCC)=O)(N(C)C)c2cccnc2	774
+c1(C)cc(cc(C)c1S(=O)(=O)N(CCOCC(N(CCC2CCC(CC2)(N(C)C)c3cnccc3)C)=O)C)OC	10
+CN(C)C1(CCNCC1)c2cccnc2	25
+CN(C)C1CCNCC1C	215
+CN(C)C1CNC(C(N)=O)C1	327
+c1ccccc1C(c2ccccc2)=Nc3c(c(C=4CCC(CC=4)N(C)C)ccc3)F	2017
+CN(C)C1CCC(c2cc(F)cc(N)c2)=CC1	1599
+CN(C)C1CCN(C1)C(=O)Nc2nccc(Oc3cnc(cc3)N)c2	161
+CN(C)C1CCN(CC1)C(CCc2n(CC(O)=O)ccn2)=O	3
+CN(C)C1CN(CC1)c2c(cc(cn2)N3C(=O)C=C(OCc4ccc(cn4)Cl)C=C3)C	3868
+CN(C)C1CCN(CC1)C(c2ccc(cc2)-c3nc(C(=O)Nc4ccccc4)c(nc3)N)=O	30
+c1cc(ccc1Nc2nc3-n4c(N(C(=O)c3cn2)c5c(cccc5Cl)Cl)ncc4)C(=O)N6CCC(CC6)N(C)C	30
+CN(C)C1CCN(CC1)C(CCc2nccn2CC(OCC)=O)=O	10
+CN(C)C1CCN(C1)C(=O)Nc2nccc(Oc3cnc([N+](=O)[O-])cc3)c2	2077
+CN(C)C1CN(C(c2c([nH]c(C)c2)C=C3c4c(cccc4NC3=O)-c5cccc(Cl)c5)=O)CC1	292
+CN(C)C1CCN(c2cc(OC)c(cc2N)Nc3nc(ccn3)-c4c5n(nc4)cccc5)C1	0
+CN(C)C1CCN(c2cc(c(Nc3nccc(-c4c5ccccc5n(c4)C)n3)cc2N)OC)C1	0
+FC(F)(F)c1c(CN2CC(N(C)C)CC2)ccc(C(=O)OC)c1	131
+CN(C)C1CN(CC1)C(=O)c2c(C=O)[nH]c(C)c2	211
+CN(C)C1CN(CC1)CCc2oc3ccc(cc3c2)-c4n5c(ccn5)nc6c4CCC6	123
+CN(C)C1CN(c2c([N+](=O)[O-])cc(c(OC)c2)Nc3nccc(-c4c5ccccc5n(c4)C)n3)CC1	34
+CN(C)C1CCN(c2cccc(Br)c2)C1	560
+CN(C)C1CCN(Cc2ccc(cc2)-c3sc4c(nccc4Oc5ccc([N+]([O-])=O)cc5F)c3)C1	171
+CN(C)C1CCN(C(c2c3ncc(-c4ccc(cc4)NS(=O)(=O)c5cccc(c5Cl)Cl)c(n3nc2)N)=O)C1	2778
+c1cc(ccc1OCCCN2CCC(N(C)C)C2)-c3ccc(cc3C)C#N	53
+CN(C)C1CN(CC1)c2cc(c(Nc3nccc(-c4c5n(nc4)cccc5)n3)cc2[N+]([O-])=O)OC	34
+c1cc(ccc1CC2=C(CCC)N=C(N(C)C)N(c3ccc4OC(C)(C)Cc4c3)C2=O)-c5c(C6=NOC(=O)N6)cccc5	1671
+c1cc(ccc1Nc2nc(-c3ccccc3)c(cn2)C#N)OCCO	8495
+C1COCCN1S(=O)(=O)c2cc(ccc2C)Nc3nc(-c4c(C)nc(s4)NC)c(cn3)C#N	8496
+c1ccccc1-n2c(c(cn2)C(=O)OC)CC	8497
+c1(c(CC)nc(O)c(c1)C#N)C(=O)OCC	2908
+n1cc(cnc1)-n2c(c(cn2)C(=O)OCC)CC	8498
+c1ccccc1CNC(c2ccc(N3C(=O)C(C=N3)c4ccc(C#N)cc4OC)nc2)=O	2372
+Cc1c(cc(C#N)c(O)n1)C(=O)OCC	2908
+c1ccccc1-c2ncc(c(-c3c(Cl)cccc3)n2)C(OCC)=O	8499
+n1cc(-c2ccccc2OC)c[nH]1	8500
+c1ccccc1Nc2ncc(c(-c3c[nH]c(C(NC(c4ccccc4)CO)=O)c3)n2)COC	8501
+c1cc(ccc1-c2cc(c(O)nc2-c3ccccc3Cl)C#N)Cl	2213
+Cc1c(-c2cn3c(ncc3)cc2)cc(C#N)c(O)n1	8502
+N1(c2cc(ncn2)N3CCOCCC3)C(C(n4cc(C#N)nn4)=CN1)=O	4050
+c1c2C(CCCc2n(C)n1)=O	3481
+n1c(sc2ccccc12)N3N=C(c4cc(I)ccc4)C(=CN)C3=O	2876
+N#Cc1cc-2c(nc1O)CCc3ccccc-23	8503
+n1c(sc2ccccc12)N3N=C(c4ccc(C)c(Br)c4)C(=CN)C3=O	8504
+n1c(Nc2cccc(c2)CCO)ncc3CC(c4ccccc4-c13)c5ccccc5F	8505
+n1c-2c(CCCc3[nH]cc(C(=O)OCC)c-23)cnc1	8506
+CN(C)c1ccc(cc1[N+](=O)[O-])Nc2nccc(n2)-c3c(n(C)c(C#N)c3C)C	8507
+CC(C)n1cc(-c2nc(N)ncc2)c(I)n1	2620
+c1(-c2cc(C)ccc2)ccnn1-c3nccc(C#N)c3	2974
+c1(-c2ccnc3n2ncc3C(=O)c4sccc4)cc(ccc1)C(=O)OC	2214
+c1cc(ccc1-c2ccnc(N)n2)C(NCc3cc(ccc3)OC)=O	4523
+c1cc(ccc1C(OC)=O)-c2cc[nH]n2	927
+c1([nH]ncc1)-c2cc(ccc2)C#N	927
+c1(-c2ccnc3n2ncc3C(=O)c4sccc4)cc([N+]([O-])=O)ccc1	2214
+c1(cccc(c1)C(=O)OCC)Nc2nc(ccn2)-c3ccnc(c3)Cl	4524
+c1(c2cc(C#N)ccc2ncc1)-c3[nH]ncc3	927
+FC(F)(F)c1cccc(c1)Nc2nccc(n2)-c3ccncc3	4524
+c1cnccc1-c2cc[nH]n2	927
+c1ncncc1-c2nc(ncc2)Nc3c(C)ccc([N+](=O)[O-])c3	8508
+c1c(cc2c(c(sc2c1)-c3ccnc(n3)N)C)Br	8509
+c1(n[nH]cc1)-c2cc(Br)cs2	8510
+FC(F)Oc1c(cccc1)N2N=C(c3ccnn3-c4ccccc4)C(=O)C(OC)=C2	4525
+Clc1cc2c(c(sc2cc1)-c3ccnc(n3)N)CC	8511
+c1cc(-c2oncc2)c3c(C4=CC(NCC(=O)N4CC3)=O)c1	8512
+c1([nH]ncc1)-c2ccc(Cl)c(c2)CNC(C)=O	927
+n1ccc(-c2cnccc2)nc1Nc3cc([N+]([O-])=O)c(C)cc3	8513
+C1(c2c(NC(=O)N1)cc[nH]2)=O	8514
+O(c1c2c(cc[nH]2)c(Br)cn1)C	2215
+c1(cccc(C)c1-c2cc3c(cn2)[nH]cc3)C	2215
+c12c(cc(cc1Br)F)[nH]cc2	4526
+c12cc[nH]c1cncc2Br	2215
+c12[nH]ccc1cc(NC(=O)C)nc2	2215
+c1(-c2cc(ccc2)Br)[nH]cnn1	8515
+CN(C)C=NC1=NC(C=CN(C)C)=C([N+]([O-])=O)C(=O)N1Cc2ccccc2	3557
+CN(C)C=NS(=O)(=O)c1cc(C(=O)c2c(Cl)c(Cl)c(c(CC=C)c2)O)ccc1Cl	423
+CN(C)C=NS(=O)(=O)c1c(Cl)ccc(C(c2cc3c(OC(CO)C3)c(Cl)c2Cl)=O)c1	2730
+CN(C)C=Nc1c(c(-c2ccc(cc2)N)[nH]n1)C#N	0
+c1cc(ccc1)CNc2c3c(Nc4cccc(C)c4)[nH]nc3ncn2	8516
+c1(cc(ccc1)Nc2c3cc([N+]([O-])=O)ccc3ncn2)Br	4527
+c1ccccc1CNC(=O)c2ccc(c(c2)Nc3c4c(nc(C)cc4)ncn3)Sc5ccc(cc5)O	8517
+c1c(c(cc(OC)c1Br)Nc2ncnc3cc(c(cc23)OC)OCCOC)OC	4527
+CN(C)Cc1nc2ccc(cc2cc1)N3C(=O)c4c(cc(-c5ccc(cc5)Cl)s4)N=C3	3949
+CN(C)C=NC1=NC(C)=C([N+]([O-])=O)C(N1Cc2ccccc2)=O	8518
+c1cc(ccc1NC(=O)C)Sc2ccc(C)cc2Nc3ncnc4c3sc(n4)SC	8519
+CN(C)CC1CC1c2cc3[nH]cc(C=O)c3cc2	287
+CN(C)CCCc1c2CCCCc2[nH]c1C=O	413
+CN(C)CCN1CCc2[nH]c(c(C)c2C1=O)C=O	413
+CN(C)Cc1[nH]c2ccc(cc2c1)C=O	146
+CN(C)S(=O)(=O)n1c(C=O)nc2CCCCc12	1378
+CN(C)c1c(cccc1C)C=O	146
+Clc1ccc2c(Sc3cc(ccc3)C(=O)OC)c([nH]c2c1)C	833
+C(c1c(OC)cc(C(=O)OC)c(c1)F)CC	2975
+c1cc(ccc1)-c2oc(nc2-c3ccccc3)C=4C(Cc5cc(C(OC)=O)ccc5)CCC=4	2975
+C1CN(CCC1)CCOc2ccc(cc2)C3c4c5ccc(OC)cc5ccc4-c6ccc(C(OC)=O)cc6O3	2975
+c1ccc(cc1C(=O)OC)SCC(=O)C	833
+c1ccc2cc(sc2c1)-c3cc(C(=O)OC)cc4c[nH]nc34	833
+C(O)c1ccc(cc1C)C(=O)OC	833
+c1cc(ccc1C(OC)=O)-c2nnc(n2C)OC(C)c3nc(on3)-c4cccc(c4)Cl	8520
+c1cc(ccc1C(OC)=O)C(NC(=O)c2cc(F)cnc2Oc3ccc(cc3)F)C	833
+O=Cc1c(C)cc(OC)c(CCCC)c1C	151
+c1c(c(F)c(c(c1)C=O)Cl)OC	151
+O=Cc1c(I)cc(OC)cc1	151
+O=Cc1cc2cccc(OC)c2nc1Cl	1031
+C[Si](C)(C)c1c(cc(C=O)c(F)c1F)Br	151
+C[Si](C)(C)c1c(c(C=O)c(cc1F)Cl)F	151
+C[Si](C)(C)c1cc(ccc1)C=O	146
+CN(C)C=Cc1nc(O)ccc1C(C)=O	1693
+c1(c2c(C)ccc([N+]([O-])=O)c2[nH]c1)C=O	287
+Cc1c2cc(C=O)c(F)cc2[nH]n1	146
+Cc1c2cc(C=O)ccc2[nH]n1	146
+c1(C=O)c2c(-c3ccc(C)cc3C)ccnc2[nH]c1	8521
+Cc1nc(c2ccc(OC)cc2c1C=O)Cl	687
+Cc1nc(ccc1C=O)Cl	687
+ClC(Cl)=C1C2c3c(cccc3C1CC2)C=O	146
+c12c(C(=O)N(C1=O)c3cc4CC(=O)CCc4cc3)cccc2	8522
+c1cc(ccc1S(=O)(=O)N2CCC(Cl)=C(C2)C=O)C	2657
+Clc1c(Br)cc(C=O)s1	968
+O=Cc1c(F)c(c(Cl)cc1)C(=O)OC	151
+Clc1cc(Br)cc(Oc2c(C=O)c(F)ccc2Cl)c1	151
+O=Cc1c(c(NC(C)=O)ccc1Cl)F	151
+O=Cc1c(c(ccc1Cl)Br)F	151
+Clc1ccc2c(c1)[nH]c(c2C=O)C(=O)OCC	287
+Clc1ccc2c([nH]cc2C=O)c1	287
+Clc1cccc(c1)-c2nn3c(c2C=O)ccnc3	2216
+O=Cc1c(Br)cccc1Cl	151
+c1cccc2n(C)c(c(C)c12)C=O	4528
+FC(F)(F)C(C)(C)C(N)=O	2789
+FC(F)(F)C=1N(C(N(C(C=1)=O)c2cc3c(cc2)snc3-c4cc(C)c(OC)cc4)=O)C	8523
+FC(F)(F)c1c(C=CN(C)C)c([N+]([O-])=O)ccc1	1744
+FC(F)(F)c1c(c(C#N)ccc1)N	1572
+FC(F)(F)c1c(F)cc2n(cc(C=O)c2c1)C	287
+FC(F)(F)c1cc(ccc1C#N)N2C(N(C3(CCC3)C2=O)c4ccc(cc4)C)=S	8524
+FC(F)(F)c1c(ccc(S(=O)(=O)N(COC)c2cc(C)cnc2C=O)c1)Cl	4529
+FC(F)(F)c1c(ccc(S(=O)(=O)N(c2c(ncc(Cl)c2)C=O)COC)c1)Cl	4529
+FC(F)(F)c1cc(cc(C#N)c1)N(C)C	1572
+FC(F)(F)c1c(C=O)ccc(OCc2ccccc2)c1	146
+FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)Oc3c4n(ccc4ncn3)C)c1	8525
+FC(F)(F)c1cc(C=O)c(c(c1)Br)F	151
+FC(F)(F)c1cc(C=O)c(OCOC)cc1	151
+FC(F)(F)c1cc(OCOCC)c(cc1)C=O	151
+C[Si](C)(C)CCOCn1cc(nc1C=O)C(F)(F)F	1378
+FC(F)Oc1ncc(cc1)C=O	687
+FC(F)c1c(C=O)c(C)n(n1)C2OCCCC2	8526
+c1c(CCO)c(F)c(C=O)cc1	151
+c1c(F)c(c(cc1)F)-n2cc(C=O)c(n2)C	4530
+CN(C)C=NS(=O)(=O)c1ccc(cc1)-c2c(sc(c2C)N3CCOCC3)C(=O)N(OC)C	4531
+c1cc(ccc1S(=O)(=O)N=CN(C)C)-c2cc(-c3ccc(cc3)Cl)sc2C(=O)N(C)OC	4531
+n1c(NC(NCC)=O)cc(Br)c(c1)-c2cncc(c2)C=3OC(NN=3)=O	8527
+O=Cc1cc(Cl)c(N)cc1OC	146
+O=Cc1cnn2c1c(cc(c2)Br)OC	2216
+O1C(Oc2ccc(c(OC)c2C=O)OC)CCCC1	151
+O=Cc1cc2OCOc2c(Cl)c1	4532
+O=Cc1cc2OCOc2c(F)c1	4532
+O=S(=O)(Nc1c(F)c(c(cc1)F)C=O)CCC	151
+O=S1(=O)c2c(C(=O)c3cc(ccc13)F)ccc(C(N)=O)c2	1602
+O=Cc1ccc(c(C)c1O)O	151
+c1(cc(C#N)c(cc1)OC)C#N	8528
+O=Cc1cc(Br)cc(OCOC)c1	146
+O=Cc1cnc(c2cccc(C)c12)OC	687
+CN(C)C=Cc1cc(NC(C)=O)ncc1[N+](=O)[O-]	1744
+CN(C)C=Cc1c([N+](=O)[O-])cnc(c1)-c2c(C)cccc2C	1744
+O=Cc1c(ccc(C=2CCC(CC=2)CCC)c1F)Br	151
+Clc1ccnc(Br)c1C=O	1031
+c1c(c(C=O)c(c(F)c1)F)OC	151
+c1(cc(cc(F)c1C=O)N)F	151
+O=Cc1c(F)nc(cc1)NCc2c(Cl)cccc2	687
+C(c1c(O)c(ccc1O)C=O)CC	151
+c1(C)c(c(c(c(OC)c1C=O)C)C)OC	146
+O=Cc1[nH]cc(C)c1C	413
+O=Cc1cc2c(nccc2)cc1[N+]([O-])=O	8529
+CN(C)C=Cc1c(cncc1Br)[N+](=O)[O-]	1744
+O=Cc1cc(c(cc1C)CC)C(=O)O	1669
+CN(C)C=Cc1c(cc(F)cc1Br)[N+]([O-])=O	1744
+c1cccc(C=2C(c3c(cc(O)cc3)OC=2)=O)c1OC	8530
+c1(c2c(ccn2C)cc(C=O)c1Cl)F	146
+c1c(C=O)cc(OC)c(OC)n1	687
+c1(cc(C(CC)Nc2cc(c(C)cc2)C=O)ccc1Cl)C	146
+c1(C)cc(cc(C)c1NC(=O)OCC)C=O	146
+c1c(F)c(c(cc1C#N)F)C=O	151
+c1([N+]([O-])=O)ccc(c(F)c1)C(=O)N	1602
+COc1c(F)c(ccc1F)C(=O)N	1602
+c1(cccc(F)c1-c2nc3c([nH]cc3)cc2)F	8531
+c1(C=O)ccc(c(CC)c1)OC	151
+c1(c2c(c(c(F)cc2[nH]c1)Br)F)C=O	287
+c12c(cc(c(c1)O)C(=O)O)cc(C=O)cc2	146
+c12c(cccc1)C(=O)N(C2=O)CCSCc3oc(C=O)cc3	3421
+c1cc2c(cc1)c(c3ccccc3c2Br)C=O	146
+O=Cc1c(n(c2c1cc(nc2N3Cc4c(cccc4)CC3)C#N)CC=C)C	287
+O=Cc1c2cc(Br)c(Cl)cc2[nH]c1	287
+O=Cc1c2cc(OC)ccc2[nH]c1	287
+c12c(ccc([N+]([O-])=O)c1)n(cc2)N	8532
+c12ccc(C=O)cc1c3ccccc3n2C	146
+O=Cc1cc2c(n1C)c(C)ccc2	4528
+C1C(c2c(Cl)cccc2)C3C(C(=O)NC3=O)c4c1n(c(c4)C=O)CCCOC	413
+CCn1c2c(c(Cl)ncc2)nc1C=O	8533
+O=Cc1c(c(Br)cnc1)C	687
+O=Cc1cc(c(Br)cc1F)F	146
+O=Cc1c(F)cc(C)cc1Br	151
+O=Cc1c2N(C)C(Cc2cc(c1)Br)C	151
+O=Cc1cc(Br)cc2CCCN(CCCCC(OCC)=O)c12	151
+c1c(ccc(Cl)c1Br)C(=O)N	8534
+c1c(C)oc(c1)CNc2ccc3c(C=O)cccc3n2	3930
+c1(c(C=O)cccc1)CCCCCCCCC	146
+C(CCOCc1cc(F)c(cc1)F)CCCCC(=O)O	8535
+c1c(Cl)cc(cc1C(c2nc(OC)nc(c2CC)OC)=O)Cl	8536
+c1c(F)c(c(cc1C)F)C=O	151
+c1(F)cc(cc(F)c1C=O)Cl	151
+c1c(I)cc(c(NC2=CC(=O)N(C)C=C2C=3OC(NN=3)=O)c1)F	8537
+O(C)c1cc(OC)c(C=O)c(Br)c1	151
+c1c2OCCOc2cc(OC)c1C=O	151
+c1c(c(C=O)c(C)cc1)CCOC	146
+c12[nH]c(c(CCC(=O)O)c1CCCCC2)C=O	413
+c12[nH]c(c(CCCO)c1CCCCC2)C=O	413
+c1(C=O)cc2c(n[nH]c2cc1)CC	146
+O=Cc1cn(CC)c2cc(ccc12)C(=O)OC	287
+c1c2c(csc2ccc1)C=Cc3sc(C=O)cc3	3537
+c1cccn2c(cnc12)C=O	8538
+c12oc3c(c1ccc(c2C)C=O)cccc3	8539
+O=Cc1c(c(ccc1F)C#N)Cl	151
+c1cc(ccc1)-n2c(cc(C=O)c2C)C	287
+O=Cc1ccc(Oc2cccc(c2)F)nc1	687
+c1(C=O)ccc(c(CC)c1)Br	1669
+c1cc2c(c(c1OCCC)Cl)cc[nH]2	4533
+c1ccccc1-c2c(C=O)c3cc(Cl)cc(c3[nH]2)[N+]([O-])=O	287
+c1ccccc1-c2cccc(C=O)c2	146
+c1ccccc1C(=O)C=CN(C)C	2409
+c1cc(ccc1)C(Nc2c3ccc(cc3ccn2)C=O)=O	146
+c1ccccc1CN(Cc2ccccc2)c3c(F)c(C=O)c(F)cc3	151
+c1cc(ccc1)COc2cc(C(=O)OC)cc(n2)Cl	4534
+c1cc(ccc1)COc2c3n(c(C)c(C=O)c3cnn2)Cc4ccc(cc4)OC	8540
+c1cc(ccc1)CSc2n3ncc(C=O)c3nc(Nc4cc(Cl)ccc4)c2	2022
+c1cc(ccc1)Cc2cc3c([nH]cc3C=O)cc2	287
+c1cc(ccc1)Nc2nc(ccn2)-c3n(C(C)C)c(nc3)C=O	1378
+c1ccccc1Oc2cc3c(cc2)[nH]cc3	4533
+c1cc(ccc1)[Si](c2ccccc2)(Oc3cc(OC)c(c(c3)OC)C=O)C(C)(C)C	151
+c1cc(ccc1-c2c(n(c(c2-c3ccc(cc3)F)C(=O)OCC)C(C)C)C=O)F	413
+c1cc(ccc1-c2n(C)c3c(c2CCC(=O)O)cc(cc3)Cl)Cl	8541
+c1cc(ccc1S(=O)(=O)N2CCCC2)-c3c4cc(C=O)n(c4ncc3)S(=O)(=O)c5ccccc5	413
+c1cc(ccc1S(=O)(=O)N=CN(C)C)-c2c(ccc(-c3n(c(cc3C)C(=O)N(C)OC)C)c2)OC	8542
+c1cc(ccc1-c2ccc3[nH]cc(C=O)c3c2)Br	287
+c1cc(ccc1F)-n2nnc(C)c2C=O	8543
+c1cc(ccc1Br)-n2c(C)c(C=O)c(C)n2	4530
+c1cc(ccc1CC2OC(C)(C)OC2)C=O	146
+c1cc(ccc1CCOCOC)C=O	146
+c1cc(ccc1)C(C)N2CCOC(C2)c3ccc(cc3)C=O	146
+c1cc(ccc1CC2(CCN(CC2)C(=O)C3CN(Cc4ccccc4)c5cc(Cl)c(C=O)cc5O3)C#N)F	151
+c1cc(ccc1CNc2ccc(cn2)C=O)Cl	687
+c1cc(ccc1Cl)-c2c(c3c(cccc3)[nH]2)C=O	287
+c1ccccc1-c2c(n(c(C=O)c2-c3ccc(cc3)F)C(C)C)C(=O)OCC	413
+c1cc(ccc1-n2c(ncc2C(C)(C)c3cc(Cl)c(Cl)cc3)C=O)F	1378
+CCC(=CC)c1cc(C=O)c(F)cc1	151
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4c3cc(C=O)cc4	146
+c1cc(ccc1F)Oc2cccc(C=O)c2	146
+c1cc(ccc1C=O)N(CCCCCCOC2CCCCO2)CC	146
+c1c(C)c(c(cc1Br)C)Sc2c(c(C=CN(C)C)nc(Nc3ccc(cc3)C#N)n2)[N+](=O)[O-]	1693
+c1(C)cc(cc(C)c1Oc2c(c(nc(Nc3ccc(cc3)C#N)n2)C=CN(C)C)[N+]([O-])=O)Br	1693
+c1cc(ccc1-c2nn3c(cc(cc3)Cl)c2C=O)OC	2216
+c1cc(ccc1OC)-c2csc(C=O)c2-c3c(C)cc(cc3)C#N	968
+c1cc(ccc1C(N)=O)OCCN2CCCC2	1602
+c1cc(ccc1[N+](=O)[O-])C(=O)N(C)C	8544
+c1cc(ccc1CCC(=O)N)[N+]([O-])=O	2789
+c1(c(Br)cnc(Cl)c1)C=O	4457
+c1cc(nnc1C(=O)OC)Cl	4534
+c1c(OC)c2cccc(C)c2c(c1)C=O	151
+c1(C=O)cc2c(OCC)c(C#N)cnc2cc1	1669
+O=Cc1c2c(cccc2)[nH]c1C	287
+O=Cc1c2n(c(ccc2)Cl)nc1-c3cccc(c3)C	2216
+O=Cc1c2c(c(C)c(cc2)[N+]([O-])=O)[nH]c1	287
+c1(C=O)c2c(C(=O)OC)cccc2[nH]c1	287
+c1(c2c(cccc2[nH]c1)O)C=O	287
+CC(C)(N1C(c2c(Cl)c(ccc2C1=O)F)O)c3ccccc3	4535
+c1ccccc1C2CN(CCc3cc(C=O)sc23)C	968
+c1cc(ccc1)CCCN2C(c3c(C2=O)ccc(OC)c3)O	4535
+c1ccccc1COC(=O)c2ccc(C=O)[nH]2	413
+c1ccccc1COCCCc2ccc(cc2)C=O	146
+c1ccccc1COc2cc(cnc2Nc3scc(C)n3)C=O	687
+c1ccccc1COc2cc(C)c(cc2)C=O	151
+c1ccccc1COc2ccc(cc2)-n3c4c(c(C=O)c3C)cc(F)cc4	287
+C1CCCC1c2cc(C=O)ccc2OCc3ccccc3	146
+c1ccccc1COc2cc(C=O)cnc2	687
+c1cc(ccc1)Cn2c(-c3ccccc3)c(c4c2C(CN(C4)Cc5ccccc5)C)C=O	287
+c1cc(ccc1)Cn2c3c(c(C=O)c2C(C)C)ccc(OC)c3	287
+c1cc(ccc1)S(=O)(=O)n2c(C=O)cc3cccnc23	413
+C(c1n(-c2c(Cl)cccn2)ccc1)=O	413
+O=Cc1n(ccc1)-c2c(F)ccc([N+]([O-])=O)c2	413
+c1cnccc1-c2cc3c(nc2-c4occn4)NC(=O)N3	8545
+c1(c2n(nc1)ccc(Cl)n2)C=O	2022
+c1(c2cc(Br)ccn2cn1)C=O	8546
+n1n(C)c(CC)cc1C(=O)N(OC)C	8547
+CN(C)CC#Cc1cc(c(OC(OC)=O)cc1[N+](=O)[O-])C	197
+CN(C)CC#CC(=O)O	3914
+CN(C)CC#Cc1ccc(c(C)c1Cl)Br	121
+c1cc(ccc1NC(c2ccc(cc2)F)=O)CNc3c4cc(ccc4nc(N(C)C)n3)C#CCN(C)C	121
+c1cc(ccc1C(Nc2ccccn2)=O)-c3nc(C4N(CCC4)C(C#CCN(C)C)=O)n5ccnc(N)c35	2976
+CN(C)CC#Cc1c(cc(OC(OC)=O)c(C)c1)N	0
+CN(C)CCCc1ccc(c(c1Cl)C)Br	213
+CN(C)CC(=O)N1CCCC1COc2c3c(ncnc3Nc4ccc(c(Cl)c4)OCc5nccnc5)ccc2	8548
+CN(C)CC(N1CCc2cc(ccc12)N)=O	0
+c1cc(ccc1NC(C)CN(C)C)[N+](=O)[O-]	60
+CN(C)CC(=O)NCC1Cc2cc(C)c3c(ccc(n3)O)c2O1	9
+CN(C)CC(=O)N1CCCC1COc2c3c(ncnc3Nc4ccc(c(Cl)c4)O)ccc2	10
+CN(C)CC(=O)N1C(CC(C1)O)COc2c3c(ncnc3cc(c2)OC)Nc4cc(c(F)cc4)Cl	10
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5c(ccc(c5)NC(=O)CN(C)C)C)=O)n2	33
+c1cc(ccc1-c2oc3c(C(N)=O)cccc3n2)C4CCCN(C4)C(CN(C)C)=O	10
+CN(C)Cc1nc(-c2c3n(cn2)-c4ccc(F)cc4C(N5CCC35)=O)no1	4536
+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(c(cc34)NC(C=CCN(C)C)=O)OCC	8549
+CN(C)CC1CC1c2cc3[nH]cc(C#N)c3cc2	4537
+CN(C)CC1Cc2ccc(cc2CC1)NC(c3[nH]cc(-c4ccc(cc4)Cl)c3)=O	187
+CN(C)CC1CN(S(=O)(=O)C)c2ccccc2C1	1632
+CN(C)CC1CCCN1c2cc(N)c(N)cc2Cl	0
+CN(C)CC1N(c2c(cc([N+]([O-])=O)c(N)c2)Cl)CCC1	202
+CN(C)CC=CC(=O)N1CCc2c(sc3ncnc(Cl)c23)C1	4110
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c(cnc4cc(OCC)c(cc34)NC(C=CCN(C)C)=O)C#N	4538
+CN(C)CCC(Nc1cc(ccc1)N)=O	0
+CN(C)CCC(Nc1cccc(-c2ccnc(NCCc3cc(c(OC)cc3)OC)n2)c1)=O	33
+c1(c(c2ccccc2[nH]1)C(=O)CCn3ccnc3)C	8550
+CN(C)CCCc1c2ccccc2[nH]c1-c3c(noc3C)CC	1283
+c1cc(ccc1N(CCCl)CCCl)NC(=O)Nc2cccc(c2)NC(CCN(C)C)=O	124
+c1ccccc1-c2n(c3c(c2C(CCn4ccnc4)=O)cccc3)C	8551
+O(C)c1c(ccc(c1)C=2CCNN=2)OC	8552
+CN(C)CCC(=O)c1cc([N+](=O)[O-])c(s1)Sc2ccc(Cl)cc2Cl	4539
+CN(C)CCCC(C)=NO	350
+c1cc(ccc1ON=C(CCCN(C)C)C)[N+]([O-])=O	2890
+C1CC(=O)N(C1=O)OC(CCCOc2cc3c(C(CCCN(C)C)c4c(cccc4)CC3)cc2)=O	884
+CN(C)CCCC1c2c(CCc3ccccc13)cc(OCCCC(O)=O)cc2	3
+CN(C)CCCCNCCC#N	1287
+CN(C)CCCCNc1ccccc1S(=O)(=O)Nc2ccc3c(OCC4C3CCO4)c2C(O)=O	60
+CN(C)CCCCNc1nccc(Oc2cc(c(N)cc2)C)n1	96
+CN(C)CCCCN(C)c1ccccc1S(=O)(=O)Nc2ccc3C4C(COc3c2C(=O)O)C4	34
+CN(C)CCCCNC	695
+FC(F)(F)c1c(-c2cccc(Cl)c2)ccc(c1)NC(Nc3c(C)cc(Oc4ccnc(NCCCCN(C)C)n4)cc3)=O	1680
+CN(C)CCCOc1cc(-c2c(-c3c(C)cccc3)ccc(C(=O)OC)n2)ccc1Cl	72
+CN(C)CCCOc1ccc(cc1N)Cl	72
+FC(F)Oc1ccc2c(c1)c(nn2CCCN(C)C)I	2058
+CN(C)CCCOc1c(C=O)cc(cc1)OC	72
+CN(C)CCCOc1c(CC=C)cc(OCCCC)cc1	72
+c1cc(ccc1OCCCN(C)C)Nc2cc(Nc3cccc(c3)C)ncn2	72
+c1cc(ccc1OCCCN(C)C)C(=O)OC	72
+CN(C)CCCNC(c1n(c2ccccc2n1)CCCCCCCCCCCCCCCCCC)=O	1506
+CN(C)CCCNc1c(cc(cc1)C)[N+](=O)[O-]	205
+CN(C)CCCNc1ncc2c(ccc(Br)c2)n1	8553
+O=S(=O)(N(C)c1ccc(c2c1[nH]c(C=3SC(CN=3)CC(=O)N)c2)C)c4cccs4	8554
+O=S(=O)(N(C)c1cccc2cc(C(N)=O)[nH]c12)c3ccccc3OC	8555
+CN(C)CCCNC(=O)C=C	8556
+CN(C)CCCNc1c(N)cc(cc1)C	0
+FC(F)(F)C(C)Nc1nc(nc(Cl)c1-c2c(F)cc(cc2F)OCCCN(C)C)-c3ccccn3	57
+FC(F)(F)CNc1c(-c2c(cc(cc2F)OCCCN(C)C)F)c(Cl)nc(-n3ccnc3)n1	57
+FC(F)(F)c1cc2C=CC(=O)N(CC(=O)Nc3scc(c3-c4ncn(CCCN(C)C)n4)Cl)c2cc1	4540
+CN(C)CCCOc1cc(F)c(c(c1)F)-c2c(C)nnc(-c3c(cccc3)F)c2-c4cc(OC)cc(OC)c4	57
+c1cc(ccc1-c2ccc3c(C(Nc4ccc(cc4)Cl)CC(C)N3C(C)=O)c2)C(=O)OCCCN(C)C	1533
+CN(C)CCCOc1ncc(Br)cc1	430
+n1cc(cnc1-c2cc(ccc2)C(OC)=O)OCCCN(C)C	1897
+CN(C)CCCOc1ccc(OC)cc1C=NCCc2ccccc2	853
+CN(C)CCCOc1c(CCCO)cc(OCCCC)cc1	347
+c1ccccc1CCNCc2cc(OC)ccc2OCCCN(C)C	1172
+CN(C)CCCOc1ccc(Cl)cc1NC(Nc2ncc(C#N)nc2)=O	446
+CN(C)CCn1c2cc(Cl)ccc2c(c1)C(=O)OC	1277
+CN(C)CCOc1cc(F)c(c(F)c1)C2=C(N=C(C(=O)N2CC(C)CC)n3cccn3)Cl	72
+c1ccccc1S(=O)(=O)c2ccc3N(C(COc3c2)=O)CCN(C)C	1525
+CN(C)CCn1nc2c(cc([N+]([O-])=O)cc2)c1	8557
+CN(C)CCn1ncc2c1cc([N+]([O-])=O)cc2	2058
+c1cc(ccn1)Nc2c(OCCN(C)C)cnc(-c3nn(Cc4c(cc(cc4F)OCC)F)c5c3CCC5)n2	8558
+CN(C)CCN1c2c(CCC1=O)cc(cc2)[N+]([O-])=O	1525
+CN(C)CCOc1ccc2c(N(c3c4CCCc4nc(-c5sc(cc5)Cl)n3)CC2)c1	72
+c1cc(ccc1OCCN(C)C)-c2c(cnc(n2)N)C3=NN(C(C)C)C(=O)C=C3	72
+CN(C)CCOc1ccc(cc1)C(Cc2ccc(cc2)Cl)=O	72
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3CCCc4cc(OCCN(C)C)ccc34)C(C)C	72
+CN(C)CCOc1ccc(cc1)Cc2c(NCCCCC)nc(N)nc2C	72
+CN(C)CCOC(C(CNC(c1cccs1)=O)NC(=O)c2c(cc(cc2)C(NCc3cccc(O)c3)=O)Cl)=O	2120
+O(C)C(OC)c1c(cc2CCCNc2n1)CNCCN(C)C	249
+CN(C)CCN1C(=O)c2c(cc([N+](=O)[O-])c(N)c2C)C1=O	8559
+CN(C)CCNc1ncc2c(n1)N(OC)C(=O)C(c3c(Cl)ccc(c3)[N+]([O-])=O)=C2	435
+O=S(=O)(NCCN(C)C)c1cccc([N+](=O)[O-])c1	71
+CN(C)CCNc1c(cccc1)[N+](=O)[O-]	250
+CN(C)CCNc1nc(-c2c(C)ccc(C(=O)Nc3sccn3)c2)c4c(N(C(=O)C=C4)c5c(F)cccc5F)n1	306
+CN(C)CCNc1ccc(cn1)[N+](=O)[O-]	70
+CN(C)CCNc1c2c(ncn1)[nH]c3c2ccc(C#N)c3	974
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(nc5sc(cc45)CC)NCCN(C)C)=O	96
+CN(C)CCNC(=O)Cc1cc(sc1-c2ccc(cc2)C#N)C(=O)c3occc3	9
+c1cc(ccc1Br)NC(=O)c2ccc(c([N+](=O)[O-])c2)NCCN(C)C	60
+c1cc(ccc1Cl)-c2n(CCN(C)C)c3CCSCc3c2	4541
+c1cc(ccc1F)N2CCN(CC2)C(=O)NCCN(C)C	1132
+c1cc(ccc1CC(=O)NCCN(C)C)NC(OCc2ccccc2)=O	9
+c1cc(ccc1Oc2ccccc2)NC(Nc3cc(c(NCCN(C)C)cc3)[N+](=O)[O-])=O	60
+c1ccccc1CN2C(C3=C(CCC3)N=C2C(NCCN(C)C)CC)=O	1682
+c1ccccc1CN2C(C(CC)NCCN(C)C)=Nc3ncccc3C2=O	1682
+CN(C)CCN(C)C(c1ccc(cc1)N)=O	0
+c1cc(ccc1Br)NC(Nc2ccc(cc2)C(=O)N(CCN(C)C)C)=O	124
+CN(C)CCN(C)c1c(N)cc(Nc2ncc(c(-c3cn(c4c3cccc4)C)n2)C)c(OC)c1	0
+CN(C)CCN(C)c1c(N)cc(c(c1)OC)Nc2nc(-c3c4c([nH]c3)cccc4)ccn2	0
+CN(C)CCN(C)c1c(cc(c(c1)OC)Nc2ncc(C#N)c(-c3c4n(nc3)cccc4)n2)N	8560
+CN(C)CCN(C)c1c(cc(c(c1)OC)Nc2nc(-c3c4n(nc3)cccc4)c(cn2)Cl)N	0
+CN(C)CCNCCCCn1c2c3c(cccc3)nc(N)c2nc1CCOC	1385
+CN(C)CCN(C(OCC)=O)c1c(N)cccc1	0
+CN(C)CCN(c1sc2c(n1)ccc(N)c2)C	0
+c1cc(ccc1I)C(Nc2cc3c(nc(N(CCN(C)C)C)s3)cc2)=O	67
+CN(C)CCN1C(c2c(C)c(N)c(N)cc2C1=O)=O	0
+CN(C)CCN1C(CCn2c(c(C3CCCCC3)c4c2cc(C(=O)O)cc4)-c5ccccc5C1)=O	1
+CN(C)CCN1C(c2c(cc3c([nH]c(-c4c(Cl)ccnc4OC)n3)c2C)C1=O)=O	1637
+c1(F)c(F)c(c(c(F)c1)F)CC(C)Nc2ccnc(O)c2-c3nc4cc5c(C(=O)N(C5=O)CCN(C)C)c(C)c4[nH]3	105
+CN(C)CCN1C(=O)c2c(cc3nc([nH]c3c2C)-c4c(O)nccc4NC(Cc5c(ccc(F)c5)C)C)C1=O	8561
+CN(C)CCN1C(c2c(C1=O)cc3c(c2C)nc(-c4c(nccc4Cl)O)[nH]3)=O	104
+c1cc(ccc1C(N2CCCc3cc4c(N(CCO4)CCN(C)C)cc23)=O)-c5c(cc(N6C(=O)CCC6)cc5)C	8562
+C1CSc2cc([N+]([O-])=O)ccc2N1CCNC	2217
+CN(C)CCN1CCc2[nH]c(c(c2C1=O)C)C=C3c4c(ncnc4NC3=O)Nc5cc(c(F)cc5)Cl	2709
+c1cc(ccc1)OC(N(CCN2c3ccc([N+]([O-])=O)cc3CCC2)C)=O	1142
+CN(C)CCN1c2c(CCC1)cc([N+]([O-])=O)cc2	15
+FC(F)(F)c1csc(-c2c(-c3cnc4c(c3)C(C(C(OCC)=O)=CN4CCN(C)C)=O)cnc(c2)NC(=O)NCC)n1	1168
+CN(C)CCN(C)c1c(cc(Nc2nc(c(C)cn2)-c3cn(c4c3cccc4)C)c(OC)c1)[N+]([O-])=O	34
+CN(C)CCN(C)c1c(cc(c(c1)OC)Nc2ncc(c(-c3c4n(nc3)cccc4)n2)Cl)[N+](=O)[O-]	34
+CN(C)CCN(c1nc2ccc([N+]([O-])=O)cc2s1)C	8563
+CN(C)CCN(C)c1c(cc(Nc2nccc(n2)-c3c4c([nH]c3)cccc4)c(OC)c1)[N+]([O-])=O	34
+CN(C)CCN(C(=O)c1ccc(cc1)[N+](=O)[O-])C	30
+CN(C)CCNCCc1c(C(OCC)=O)c(C)c[nH]1	15
+c1cc(ccc1[N+]([O-])=O)CC(Nc2ccc(cc2)CC(NCCN(C)C)=O)=O	33
+CN(C)CCNC(=O)c1c2c(ccc1)nc3ccc4cc(ccc4c3n2)O	5
+CN(C)CCN1CCc2c(c(C)c[nH]2)C1=O	1858
+CN(C)CCNc1cc(N)c(cc1F)N	0
+CN(C)CCNc1c(F)cc2[nH]c(-c3nn(cc3N)C4OCCCC4)nc2c1	209
+CN(C)CCNc1cc(cc(c1)F)-c2cncc(N)c2N	0
+CN(C)CCNc1ccc(cn1)N	13
+CN(C)CCNc1ncc2C=C(C(=O)N(c2n1)OC)c3cc(NC(=O)Nc4cc(c(cc4)OC)Cl)ccc3Cl	124
+CN(C)CCNc1ncc2c(N(C(C(c3c(ccc(N)c3)Cl)=C2)=O)OC)n1	0
+CN(C)CCOCc1c(cccn1)OCCOC2CCCCO2	2404
+CN(C)CCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CCCCn2c3c(nc2CCOC)c(N)nc4ccccc34	2715
+CN(C)CCOc1ncc([N+](=O)[O-])cc1Br	91
+CN(C)CCOc1c([N+](=O)[O-])cccc1	20
+CN(C)CCOc1c2c(Nc3ccc(c(Cl)c3)OCc4nccnc4)ncnc2ccc1	1111
+c1ccccc1-c2cc(c(nc2-c3ccc(cc3)CN4CCC(CC4)N5C(=O)Nc6c5cccc6)OCCN(C)C)C#N	91
+c1cc(ccc1C)S(=O)(=O)OCCN(C)C	36
+c1cc(ccc1Cc2c(C)nc(N)nc2NCCCCC)CC(=O)OCCN(C)C	456
+CN(C)CCOc1cc(COc2ccc(cc2)C(=O)Nc3cc(ccc3C)-c4ncc[nH]4)ncc1	260
+c1cc(ccc1N2CCN(CC2)C(OCCN(C)C)=O)[N+]([O-])=O	2078
+c1ccccc1C2=CC(C(OCCN(C)C)=O)=C3N(Cc4ccccc34)C2=O	8564
+CN(C)CCOc1nc(Cl)nc(Nc2cc3cn[nH]c3cc2)c1	145
+CN(C)CCOCCCC1Oc2c(c(C)c(O)c(C)c2C)S1	241
+CN(C)CCOCc1ncccc1OCCO	168
+CN(C)CCOc1ncc(N)cc1-c2cnc(nc2)OC	8565
+CN(C)CCOc1c(C)ccc(c1)Nc2cc(nc3c2cccc3)C	179
+O=S(=O)(Nc1c(OCCN(C)C)ccc(Br)c1)C	80
+c1ccccc1C(NC(=S)Nc2ccccc2OCCN(C)C)=O	865
+CN(C)CCOc1c(N)cc(cc1)Br	0
+CN(C)CCOc1c(N)cccc1	0
+CN(C)CCOc1c(OC)ccc(NC(c2cc(C)c(-c3ccc(cc3)-c4ncccc4)cc2)=O)c1	11
+CC(C)Oc1cc(OCCN(C)C)ccc1Nc2cccc(c2C(OC)=O)C(OC)=O	1215
+CN(C)CCOc1ccc(c(N)c1)[N+]([O-])=O	3915
+CN(C)CCOc1cc2C(C(C)(C)CC(c2cc1)c3ccc(cc3)Cl)Cl	525
+c1ccccc1COc2c3c(cccn3)c4C(CCl)CN(C(=O)c5[nH]c6c(c5)cc(OCCN(C)C)cc6)c4c2	2677
+CN(C)CCOc1cc(OC(C)C)c(N)cc1	0
+CN(C)CCOc1cc(c(cc1)N)N	0
+CN(C)CCOc1cc2c(C(c3ccc(cc3)Cl)CC(C)(C)C2O)cc1	74
+c1cc(ccc1C(c2ccc(cc2)O)=C(CC)c3cccc(OCCN(C)C)c3)O	1051
+CN(C)CCOc1ccccc1Nc2nc(C3=Cc4cccc(Cl)c4OC3=O)cs2	3467
+CN(C)CCOc1nc(-c2cc(ccc2)OC)nc(c1)Nc3cc4cn[nH]c4cc3	345
+CN(C)CCOc1nc2c(cc1-c3cnc(nc3)OC)nc(N)s2	4542
+CN(C)CCOc1c(Br)cc(N)cn1	13
+O=S(=O)(c1sc2ccc(CSCCN(C)C)cc2c1)N	639
+CN(C)CCc1c(O)ccc(c1)-c2n(C)nc(C)c2C	5
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c4cccc(C(N)=O)c4)c3n2)=O)c5ccc(cc5)OC)C)ccc1	216
+CN(C)CCc1cc2occc2c(n1)Cl	8566
+O=C1c2ccccc2C(=O)N1Cc3nnc(CCN(C)C)n3-c4ccc(cc4C(c5ccccc5Cl)=O)F	4543
+CN(C)CCn1cc(c2ccc(cc12)Cl)C(O)=O	1
+c1cc(ccc1Oc2ccccc2)CC(Nc3cc4c(nn(c4)CCN(C)C)cc3)=O	33
+CN(C)CCn1cc2c(n1)ccc(N)c2	0
+CN(C)CCn1c2c(cn1)ccc(NC(=O)Cc3ccc(cc3)OCc4ccccc4)c2	33
+CN(C)CCn1ncc2c1cc(N)cc2	0
+CN(C)Cc1c[nH]c2ccc(OCCC)c(c12)Cl	8567
+CN(C)Cc1cc2c([nH]1)ncc(c2)N	13
+CN(C)Cc1[nH]c2c(cc(-c3nc(c4c(OC)cc(OC)cc4n3)O)cc2)c1	748
+CN(C)Cc1c(ccc(c1)N)F	0
+N#CCc1c2c(c(Cl)ncc2Br)[nH]c1	1432
+C(c1c[nH]c2c1cc(cc2)C(=O)OC)C#N	1432
+C(c1c[nH]c2c([N+]([O-])=O)cccc12)C#N	1432
+c1c(cc2[nH]cc(CC#N)c2c1)Br	1432
+C(c1c[nH]c2c1ccc([N+]([O-])=O)c2)C#N	1432
+c1cc2[nH]cc(CC#N)c2c(c1OCCC)Cl	1432
+CN(C)Cc1cc(-c2cc3c[nH]nc3cc2F)cnc1	804
+CN(C)Cc1cc(-c2c(cc3n[nH]c(I)c3c2)F)cnc1	538
+CN(C)Cc1cc(N)c(OCC)cc1	0
+CN(C)Cc1ccc2oc(C)c(C=3C(NC(=O)C=3c4c[nH]c5c(cccc45)C)=O)c2c1	3331
+CN(C)Cc1ccc2ccc(c(CC(N)=O)c2c1)Cl	2125
+CN(C)Cc1ncc2ccc(c(C=3C(NC(=O)C=3c4c5ccccc5n(c4)C)=O)c2c1)Cl	1492
+CN(C)Cc1cc2c(CC(=O)N)c(C)oc2cc1	728
+CN(C)Cc1ccc2c(c(CC(N)=O)co2)c1	327
+CN(C)Cc1ccc2c(c(ccc2c1)Cl)CC(N)=O	83
+CN(C)Cc1ccc2c(c(Cl)ccc2c1)C=3C(=O)NC(=O)C=3c4cn(c5ccccc45)C	1492
+CN(C)Cc1cc2ccc(c(CC(O)=O)c2cc1)Cl	3
+CN(C)Cc1nc2c(c(Cl)ccc2cc1)CC(=O)N	2125
+CN(C)Cc1cc2c(ccc(Cl)c2C=3C(=O)NC(=O)C=3c4cn(C)c5ccccc45)cc1	1492
+CN(C)Cc1cc(ccc1)-c2cc3c(Nc4ccc5c(c4C)cc[nH]5)c(C#N)cnc3s2	2844
+CN(C)Cc1cccc(c1)CCNC=2C(N(C(=CN=2)C)CC(=O)O)=O	8568
+CN(C)Cc1nc2n(c(nc(c2)Cl)Cl)c1	8569
+CN(C)Cc1cn2C(=O)NC(Cl)=Cc2n1	8570
+CN(C)Cc1cnc2ccc(c(CC(N)=O)c2c1)Cl	327
+CN(C)Cc1cccc(CSCCNC2=NS(=O)(=O)N=C2N)n1	8571
+CN(C)Cc1ccc2c(n1)c(c(cc2)Cl)C=3C(=O)NC(=O)C=3c4c[nH]c5c(cccc45)C	2218
+CN(C)Cc1ccc2cc(ccc2n1)N	0
+CN(C)Cc1cc2c(CC(N)=O)c(ccc2cn1)Cl	327
+CN(C)Cc1cc(n(n1)C)Nc2ncc(c(Nc3c(F)cccc3C(NC)=O)c2)Cl	346
+CN(C)Cc1sc(C2(CCC3(CC2)OCCO3)O)cn1	8572
+O=S(=O)(N(C)C)NC(=O)c1c(F)cc(C)c(F)c1	258
+O=S(=O)(N(C)C)c1c(ncc(c1)-c2nc3c(cc2)nccc3-c4ccncc4)N	8573
+c1cc(ccc1S(=O)(=O)N(C)C)Oc2cc(cc(C(=O)Nc3nn(C)cc3)c2)OC(C)COC	992
+CN(C)S(=O)(=O)c1cccc(N)c1O	0
+CN(C)S(=O)(=O)n1c(CN(C2CCCc3c2nccc3)CCCCN4C(=O)c5ccccc5C4=O)nc6CCCCc16	566
+CN(C)c1nc2cc([N+]([O-])=O)cc(C(Nc3cccc(Cl)c3C)=O)c2[nH]1	246
+CN(C)c1c(Br)cc(S(=O)(=O)Nc2ncc(Cl)cc2O)cn1	390
+c1cc(ccc1-c2c3ccccc3nc(c2C=CCO)N(C)C)F	2219
+CN(C)c1nc(ccc1[N+](=O)[O-])NCc2ccc(cc2)F	70
+CN(C)c1ncc(Cl)cc1-c2c3n(c(nc3cc(n2)C#N)N4CCOC5CCCC45)CC6CCC(CC6)C	8574
+CN(C)c1nc(Nc2c(C(=O)N)nnc(c2)Cl)ccc1C	314
+CN(C)c1cc([N+]([O-])=O)ccc1OCCN(CCc2ccc(OC)c(OC)c2)C	72
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)S(=O)(=O)c3c4cccc(N(C)C)c4ccc3)=O	92
+CN(C)c1n(Cc2ccccc2F)nc(c1)C#N	331
+c1ccccc1NCc2ccc(c(N(C)C)c2)OCOC	208
+CN(C)c1cc2C(=O)OC(=O)Nc2cc1	2081
+CN(C)c1ncc(N)c(C)c1	13
+CN(C)c1cc(COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4)ccc1	967
+C1CC(CCC1N(C)Cc2ccccc2)(O)c3cc(ncc3)N(C)C	8575
+CN(C)c1nccc(c1)C(=O)N2CCCC(C2)c3ccccc3OC	30
+CN(C)c1ccnc(c1)CNC	1279
+CN(C)c1cc2c(c(C#N)c(N)nc2cc1)NCc3sccc3	105
+CN(C)c1cc2c(cc1)C(=C3c4cc(Cl)ccc4NC3=O)OC2	3585
+CN(C)c1cc(c(N)cc1)C(O)=O	0
+CN(C)c1ccc(cc1)-c2nc(-n3nc(c(C(O)=O)c3)N)ncc2	6
+CN(C)c1ccc(cc1)-c2oc3c(C(O)=O)cccc3c2	1
+CN(C)c1ccc(cc1)C(O)C#Cc2ccncc2	8576
+c1cnccc1C#CC(c2ccc(cc2)N(C)C)=O	8577
+CN(C)c1ccc(cc1)C=2Oc3c(cc(cc3)O)C(C=2)=O	5
+CN(C)c1ccc(cc1)C=Cc2ccc(cc2)C=O	722
+c1cc(ccc1C=C)C=Cc2ccc(cc2)N(C)C	443
+C[Si](C)(C)C#CC(O)c1ccc(cc1)N(C)C	8578
+CN(C)c1ccc(cc1)C=CC(=O)c2cc([N+]([O-])=O)c(c(c2)O)O	307
+c1cc(ccc1CNc2ccc(cc2)C(C)C)N(C)C	208
+CN(C)c1ccc(cc1)C=C	443
+c1cc(ccc1N(C)C)CNC(c2n(c3cccc(O)c3c2)C)=O	81
+c1cc(ccc1CN2C(=O)C(=C(c3ccccc3)C2=O)Cl)N(C)C	8579
+CN(C)c1ccc(cc1)CN(C(CN(c2ccccc2OC)S(=O)(=O)c3ccccc3C)=O)CC	10
+CN(C)c1ncc(cc1)-c2ccc(nc2)C(=O)NCc3cnc(cc3)-c4cc(ncc4)F	1168
+c1ccccc1-n2c(c(C=Cc3nc4c(cc3)cc(N(C)C)cc4)cc2C)C	8580
+CN(C)c1cc2c(Cl)c(c(N)nc2cc1)C#N	120
+CN(C)c1cc(N(C)C)ccc1C2(c3c(n(CC)c4c3cccc4)C)c5ccccc5C(=O)O2	8581
+CN(C)c1cccc(Nc2nc(ccn2)N(C)c3cc4oc(C)c(C(NC)=O)c4cc3)c1	55
+CN(C)c1nc(ccc1)-c2cc(c(Cl)cc2)C(OC)=O	119
+CN(C)c1ccccc1CN2CC(CC2)Nc3ncc(C=CC(OC)=O)nc3	48
+CN(C)c1ccccc1CN2CC(CC2)Nc3cnc(C=CC(=O)O)cn3	127
+CN(C)c1cc(ncc1)CCl	515
+CN(C)c1ccnc(c1)CN(C)Cc2nc(cc(c2)O)-c3nccc(Cl)c3	1309
+c1cc(ccn1)-c2cncc(N(C)C)n2	1940
+CN(C)c1cc(C(N)=O)nn1Cc2c(cccc2)F	314
+C1CC(CCC1CN)Nc2nc(nc(N(C)C)c2)C	102
+CN(C)c1c(ccc(Nc2cc(NCCN)nnc2C(=O)N)n1)C	232
+CN(C)c1cccc(-c2ccc(Cl)c(C(=O)N)c2)n1	666
+CN(C)c1nc(nc(N(C)C)c1CC(OC)=O)Cc2ccc(cc2)[N+]([O-])=O	54
+CN(C)c1nc(nc(N(C)C)c1CC(OC)=O)Cc2ccc(cc2)NC(c3ccc(cc3)C(F)(F)F)=O	50
+CN(C)c1nc(nc(N(C)C)c1CC(OC)=O)Cc2ccc(cc2)N	0
+C1COCCN1c2nc(nc(N(C)C)n2)-n3cncc3	3970
+c1cc(ccc1Nc2nc(nc(N(C)C)c2)NC(=O)Cc3ccccc3)C	784
+FC(F)(F)Oc1ccc(cc1)CC(=O)N2CCC(Nc3nc4c(sc5ccccc45)c(N(C)C)n3)C2	10
+CN(C)c1[nH]c2cc([N+]([O-])=O)cc(C(O)=O)c2n1	1
+CN(C)c1[nH]c2c(c(C(Nc3c(C)c(ccc3)Cl)=O)cc(NC(c4c(Cl)cccc4F)=O)c2)n1	50
+CN(C)c1nc2c(cc(N)cc2[nH]1)C(Nc3c(C)c(Cl)ccc3)=O	0
+CN(C)c1ncc(cc1)CO	295
+CN(C)c1c(cc(cn1)Cl)-c2nc(C(=N)NO)cc3nc(n(CC4CCC(CC4)C)c23)N5CCOC6CCCC56	958
+C(C)C(CC)c1c2n3CCCCN(c3nc2c(Cl)cc1)c4c(cc(nc4)N(C)C)C	2394
+CN(C)c1ncc(Nc2n(c3c(C(CC)CC)ccc(Cl)c3n2)CCCCO)c(C)c1	44
+CN(C)c1nccc(-c2c(nc3n2cccc3)CO)c1	874
+CN(C)c1nccc(-c2n3ccccc3nc2C=O)c1	614
+CN(C)c1nccc(n1)Oc2cc(C)c3C(CC(O)=O)OB(c3c2)O	3
+CN(C)c1nn2c(n1)cc(cc2)NC(=O)c3c(cnn3C)C(=O)O	6
+CN(C)c1oc2c(cc(Oc3ccc4c(c(C(NCC(O)=O)=O)nc(c4c3)C#N)O)cc2)n1	2977
+CN(C)c1oc2c(cc(Oc3cc4c(c(O)c(C(=O)OCCCC)nc4C#N)cc3)cc2)n1	577
+CN(C)c1oc2c(cc(cc2)Oc3cc4c(nc(C(OCCCC)=O)c(c4cc3)O)Cl)n1	137
+C(N(C)c1n[nH]c2ccc([N+]([O-])=O)cc12)C(NC)=O	9
+c1nc2ccc(C=O)cc2nc1	760
+CN(c1c2c([nH]cc2)ncc1)c3ccc(N)cc3F	0
+c1cc(ccc1[N+]([O-])=O)N=Nc2ccc(N(CC=C)C)cc2O	725
+[N-]=[N+]=NCCCN(C)c1cc(ccc1)OC	310
+C(N1CC=C(CC1)c2ccc(c(CC)c2)N(C)c3ncc4c(c3)n(cn4)C)(CC#N)=O	2699
+c1cnccc1CNc2nc(Cl)cc3c2C(N(C)C=N3)=O	70
+c1cc(ccc1N=C2NC(Br)=CN(C)C2=O)CCO	8582
+c1cc(ccc1C(Nc2ccccc2CCC3N(C)CCCC3)=O)[N+](=O)[O-]	50
+O=S(=O)(C)Nc1cc(c(cc1)F)C2=CN(C)C(c3ccc(cc23)-c4cnn(c4)C)=O	80
+N1(C(=O)C)Cc2cc(NC3=CC(=CN(C)C3=O)Br)nn2CC1	523
+CN1C=C(C=C(C1=O)Nc2cc3CN(CCOC)CCn3n2)Br	523
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3C)Br	523
+CN1C=C(C=C(C1=O)Nc2nc(ccc2)N)Br	523
+CN1C=C(C=C(C1=O)Nc2cc(COC)n(C)n2)Br	523
+n1n2CCOCc2cc1NC=3C(N(C=C(Br)C=3)C)=O	523
+CC1(C)Cc2c(n3c(c2)C(N(CC3)c4nccc(C5=CN(C)C(=O)C(Nc6cccc(n6)N)=C5)c4COC(C)=O)=O)C1	8583
+O=S(=O)(Nc1cccc(c1)C2=CN(C)C(c3ccc(cc23)-c4ccccn4)=O)CC	2220
+c1c(F)c(N2C(CN(C)C(C2)C)C)ccc1N	0
+CC1=C(C(N(N1C)C)=O)C#N	8584
+c12n(-c3c(Cl)cccc3)cnc1N(C(=O)N(C)C2=O)C	3775
+c1ccccc1COC(=O)NC2CC(C(=O)NC3=C(c4ccccc4N(C3=O)C)N)CCC2	8585
+N1CCN(c2c(cc3c(nc4c(c3)C(C(C(=O)O)=CN4C)=O)c2)F)CC1C	1998
+Clc1cccc(c1)-c2onc(C3CCCCN3C(=S)NC)c2	1383
+C1(c2noc(-c3cc(Cl)ccc3)c2)COCCN1C(=S)NC	1383
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2cc3c(C(CC3)NC(NC)=S)cc2	1832
+O(C)c1nccc(c1)C=2N(C)C(=S)NN=2	8586
+N(c1cc(cc(C(=O)O)c1)O)C(NC)=S	2898
+c1([N+]([O-])=O)ccc2c(C(=C(O)C(C)(O2)COC)C(=S)NC)c1	8587
+c1(cccc(C#N)c1)-n2nc(nn2)C3CCCN3C(=S)NC	1383
+c1cc2c(C(N(C(=S)N2)C)=O)cc1Br	8588
+c1ccccc1COCCN2C(=O)N(C(=O)c3c2n[nH]c3NC)CCCC	8589
+o1c(-c2cc(ccc2)C#N)cc(C3CCCCN3C(=S)NC)n1	1383
+o1c(-c2csc(c2)Cl)cc(C3CC4CC4N3C(=S)NC)n1	1383
+CN(C)C(=O)c1cc(ccn1)-c2c(c(cc(C(C)n3c4ncnc(N)c4c(C)n3)c2OC)Cl)C	147
+FC(F)(F)c1c2c(c(c(cc2)OCCCN(C(N(C)C)=O)C)CCC)on1	2399
+CN(C)c1ccc(c(c1)C(=O)O)[N+](=O)[O-]	202
+CN(C)Cc1ncc2ccc(Cl)c(CC(OC)=O)c2c1	596
+CN(C)c1cncc(-n2cc(nc2C)C#Cc3cc(Cl)ccc3)c1	2688
+n1c(Cl)nc(nc1N(C)C)Cl	436
+CN(C)c1nc(Cl)ncc1C	54
+FC(F)(F)C(c1cn(c(c1)C(N(C)C)=O)CC=C)(O)c2ccc3c(c2)cnn3-c4ccc(cc4)F	147
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(C2=O)Cc3nc(NC(=O)N(C)C)ncc3	437
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(c1)[N+]([O-])=O)N(C)C	34
+FC(F)(F)c1cc(cc(c1)[N+]([O-])=O)C(N(C)C)=O	30
+FC(F)(F)c1cc2nc(C)n(c2c([N+]([O-])=O)c1N(C)C)CC	1998
+FC(F)(F)c1ccc2c(nc(SCC)c(c2N(C)C)C(NCc3cc(ccc3)F)=O)c1	264
+FC(F)(F)c1ccc(cc1)-c2c(C(OC)=O)ccc(CN(C)C)c2	131
+FC(F)(F)c1ccc(cc1)-c2sc(CNc3ccc(cc3)C4CC4C(N(C)C)=O)c(C)n2	10
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(C2CCC(CC2)OCCCC(C)N(C)C)C	85
+FC(F)(F)c1c(cn(n1)CC(Nc2sc3CCCCc3c2C(NCCO)=O)=O)CN(C)C	678
+FC(F)c1n(C(C(=O)N(C)C)C)c2c(c(c(C#N)cc2)Cl)c1	10
+CN(C)Cc1cc(C#Cc2cc(cnc2)C#N)ccc1F	171
+c1cc(ccc1-c2cn3c(C(N(c4c(F)c(ccc4)OC)C(N3Cc5c(F)cccc5F)=O)=O)c2CN(C)C)[N+](=O)[O-]	619
+CN(C)C(=O)c1ccc(c(F)c1)N	30
+CN(C)C(=O)c1cc(ccc1Br)N	30
+CN(C)CCOc1cc([N+](=O)[O-])c(cc1)N	28
+CN(C)Cc1cc2c(CC(=O)OCC)c(ccc2cc1)Cl	48
+CN(C)Cc1ccc2c(n1)c(c(Cl)cc2)CC(OCC)=O	315
+CN(C)Cc1nc(sc1)-c2ccc(cc2[N+]([O-])=O)C	3708
+CN(C)Cc1nc2ccc([N+](=O)[O-])cc2cc1	315
+CN(C)Cc1sccn1	3965
+CN(C)CCCn1c2c(ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)c2)nc1	123
+CN(C)CCOc1ccc2n(cc(CC(N3C4CC4CC3C(=O)NCc5c(F)c(ccc5)Cl)=O)c2c1)C(=O)N	123
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1	123
+O=S(=O)(N(C)C)c1c(OC)cccc1	92
+CN(C)S(=O)(=O)c1ccc(F)c(Cl)c1	92
+O=S(=O)(c1ccc2NC(Cc2c1)=O)N(C)C	92
+c1cc(ccc1F)-n2c3C=C4C(C(=O)c5ccccn5)(CN(S(=O)(=O)c6cnc(N(C)C)cc6)CC4)Cc3cn2	43
+CN(C)C(=O)c1cc(NS(=O)(=O)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3)ccc1	115
+CN(C)CCCOc1cc(Nc2cc(-c3c(-c4cnccc4)c(C#N)c(SC)s3)c(cc2)C)ccc1	123
+CN(C)S(=O)(=O)c1c(N)ncc(c1)Br	1027
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(F)ccc23)S(=O)(=O)N(C)C)C	1027
+c1ccccc1OCCC(N(C)C)C	2687
+CN(C)CCn1cc(I)cn1	236
+O=S(=O)(c1ccc(cc1)Cc2ccc(cc2)[N+]([O-])=O)N(C)C	92
+CN(C)c1c(Br)cc(S(=O)(=O)Nc2ncc(Cl)cc2OC)cn1	43
+CN(C)c1cc(c([N+](=O)[O-])cn1)C	43
+CN(C)c1c(C)ccc(n1)N	43
+CN(C)Cc1cc2c(cc1)oc(C)c2CC(=O)OCC	48
+CN(C)Cc1ccc2c(ccc(Cl)c2CC(OCC)=O)c1	48
+CN(C)C(=O)CCc1cc(c[nH]1)CCCC	1857
+CN(C)c1ncc([N+]([O-])=O)cc1C(O)=O	43
+CN(C)c1ccnc(CO)c1	264
+CN(C)c1c(cnn1C)[N+](=O)[O-]	959
+CN(C)c1nc(nc(Cl)c1)Nc2ccccc2	54
+CN(C)C(c1cccc(c1)Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)=O	115
+CN(C)CCC(=O)c1c([nH]c2ccccc12)C	1644
+CN(C)Cc1cccc(-c2sc3ncc(C#N)c(c3c2)Cl)c1	48
+CN(C)Cc1cnc2ccc(c(c2c1)CC(=O)OC)Cl	619
+CN(C)C(c1ccc([N+](=O)[O-])cc1F)=O	30
+CN(C)Cc1c(C(NCc2cc(F)c(cc2)F)=O)c3ccc(OC)cc3n1Cc4ccccn4	315
+CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O	224
+CN(C)c1nc2ccccc2n3c1nnc3CC	8590
+CN(C)c1cc2c(c(O)ncc2)cc1	34
+CN(C)C(C1C(=O)Nc2ccccc2C1)=O	2561
+CN(C)CCOc1c2c(ncnc2Nc3cc(c(OCc4cc(F)ccc4)cc3)Cl)ccc1	53
+CN(C)c1cncc(n1)Cl	317
+CN(C)C(c1cc(cc(I)c1)Br)=O	30
+CN(C)Cc1cc2c(occ2CC(OC)=O)cc1	131
+CN(C)C(=O)c1n[nH]c2cc(Br)ccc12	147
+CN(C)C(=O)c1[nH]c2c(c1)cc(cc2)Br	147
+CN(C)CCN1C(N2C(C)(C1=O)Cc3c([nH]c4ccc(cc34)OCC)C2c5cc(ccc5)O)=O	28
+CN(C)C(c1ccc2c(oc(CCCCN)c2)c1)=O	3479
+CN(C)C(=O)c1ccc2NC(=S)Oc2c1	30
+CN(C)C(COc1ccc2CCN(c3nc(nc4CS(Cc34)=O)Cl)c2c1)=O	731
+CN(C)c1c([N+](=O)[O-])ccc(n1)Cl	43
+CN(C)Cc1cc(c(OCC)cc1)[N+](=O)[O-]	171
+CN(C)C1=C(C(C1=O)=O)Nc2ccc3c(c2)c(Nc4cc(ccc4)Br)ncn3	8591
+c1cc(ccc1)-n2nc(C(OC)=O)c(C(=O)N(C)C)n2	777
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCC(CC4)C(N(C)C)=O	10
+c1ccccc1CCCCN(C)C	28
+c1cc(ccc1)CN2CCN(CC2)c3nccc4ccc(N(C)C)cc34	202
+c1cc(ccc1)CNC2CCC(CC2)CNc3cc(N(C)C)c(C)c[n+]3[O-]	3689
+c1cc(ccc1)COC(=O)CCCCN(C)C	8592
+c1ccccc1S(=O)(=O)n2c(cc3cc(cnc23)[N+]([O-])=O)CN(C)C	315
+c1cc(ccc1-c2c(C=O)c(nc3ccccc23)N(C)C)F	286
+c1cc(ccc1OCC(O)CN(C)C)Br	170
+c1cc(ccc1C(Nc2ccc(cc2)CNc3nc(N(C)C)nc4ccc(cc34)I)=O)F	549
+c1cc(ccc1C(N(C)C)=O)CNC(N2C(C)CN(c3ccc(c(Cl)c3)C#N)C(C)C2)=O	30
+c1cc(ccc1C(c2ccccc2)=O)OCCCCCN(C)C	28
+c1cc(ccc1C)NC(CC2(NC(Nc3cccc(c3)OC)=O)C(N(c4ccccc24)CCN(C)C)=O)=O	61
+CN(C)c1ccc(cc1[N+](=O)[O-])C(N2CCC(CC2)c3ccc(cc3)-c4cnn(c4)C)=O	34
+c1cc(ccc1CN(C)C)I	131
+c1cc(ccc1CCNc2c3c(ncn2)cc(cc3)OCCCN(C)C)NC(Nc4ccccc4)=O	53
+c1cc(ccc1CN(C)C)[N+]([O-])=O	171
+CN(C)C(CON(C(=O)C=C1C(OC(C)(C)O1)=O)Cc2ccc(cc2)F)=O	10
+c1cc(ccc1CN2C(c3c(cnc(C(=O)N(C)C)c3CC2)OC)=O)OC	147
+c1cc(ccc1CN(C)C)CNC(=O)C	171
+CN(C)c1nc(nc(Cl)c1CC(=O)OC)Cc2ccc(cc2)[N+]([O-])=O	54
+c1cc(ccc1Cl)C2c3nc(nc(N(C)C)c3CC2)Cl	54
+CN(C)c1ncnc2c1cc(-c3ccc(cc3)F)cc2	54
+CN(C)C(C(NC(C)(C)C=1N(C)C(C(=C(C(NCc2ccc(cc2)F)=O)N=1)O)=O)=O)=O	8593
+CN(C)CCC(N1CC(COc2nc(-c3ccc(cc3)N4CCOCC4)cc5nccnc25)OCC1)=O	2454
+CN(C)C(C(c1ccc(cc1)NC(=O)C)=O)CC	8594
+CN(C)CCC(Nc1ccc(cc1)Nc2nc(c(cn2)Br)Nc3ccccc3)=O	2454
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3CCCC(c4ccccc34)NC(CN(C)C)=O	224
+CN(C)c1nc(nc(Nc2ccc(cc2)C)c1)N	54
+c1cc(ccc1Nc2ncnc(N(C)C)c2)C(O)=O	54
+c1cc(ccc1OCCN(C)C)C(=C(c2ccc3c(cc(Cl)o3)c2)CC)c4ccc(cc4)O	53
+c1cc(ccc1OC)S(=O)(=O)N(C)C	92
+c1cc(ccc1OCC(CN(C)C)O)Nc2ncnc(Nc3cccc(c3)C)c2	170
+CN(C)C(C(C)CCn1c(COc2ccc(cc2)Cl)nc3c(C)cccc13)=O	58
+c1cc(ccc1S(=O)(=O)N(C)C)F	92
+CN(C)CC(O)c1cc(ccc1)NS(=O)(=O)c2ccc(cc2)-c3ccc(F)cc3F	170
+c1cc(ccc1-n2nc3c(c2CN(C)C)C(=O)N(C(N3Cc4c(F)cccc4F)=O)c5cccc(c5F)OC)[N+](=O)[O-]	596
+c1cc(ccc1[N+]([O-])=O)CCS(=O)(=O)N(C)C	8595
+CN(C)c1ncc(C(OC)=O)cc1	43
+CN(C)C(c1ccc(Cl)nc1)=O	1558
+CN(C)c1ccc(cn1)Br	361
+CN(C)CC1CC1c2ccc3c([nH]cc3)c2	61
+CN(C)C(COc1cc(ccc1)I)=O	10
+c1cc(ccc1)C(=O)N2CCN(CC2)c3c(nnc(N(C)C)c3)-c4ccccc4	212
+CN(C)CCOc1cc(-c2ccccc2)on1	28
+c1ccccc1C=2c3c4c(c(OCC)cc3CC(CNC(=O)CN(C)C)(C)N=2)OC(C)(C)C4	224
+c1ccccc1CCNc2c3c(ncn2)sc(C(N(C)C)=O)c3	867
+CN(C)C(=O)C(NC(=O)OCc1ccccc1)CO	10
+CN(C)C(=O)C1Cc2ccc(cc2NC1=O)NC(=O)OCc3ccccc3	2561
+C1C(CC1C(=O)N(C)C)n2cc(c3c(N)ncnc23)-c4cccc(c4)OCc5ccccc5	10
+c1ccccc1COc2c3n(CCOC)c(C)nc3cc(C(=O)N(C)C)c2	30
+CN(C)C(=O)c1cc(C=C)ccc1OCc2ccccc2	30
+c1ccccc1Cn2c3nc(N(C)C)nc(N)c3nc2	117
+c1ccccc1N2C(C(CC2=O)CN(C)C)c3cccc(OC)c3	236
+c1ccccc1Oc2cccc(Oc3ccccc3)c2C(=O)N(C)C	115
+CN(C)c1nccc(-c2c(nc3ccccn23)C(=O)OCC)c1	361
+CN(C)c1nc2n(ccc(Br)c2)n1	3858
+CN(C)Cc1onc(n1)-c2c3n(cn2)-c4c(c(ccc4)Cl)C(N(C)C3)=O	960
+CN(C)C(Cc1c(Cl)cc(OCCC2C(C3CCN(CC3)c4ncc(cn4)COC)C2)cc1)=O	10
+CN(C)C(=O)c1cn2c(nnc2c(NCc3c(cccc3CC)C)c1)C	211
+CN(C)c1cc(ncn1)Cl	54
+CN(C)c1c2c(c3ccccc3s2)nc(Cl)n1	2094
+CN(C)c1ccc(cn1)-c2nc3ccc(OC)cn3c2	361
+c1(c(c(Cl)ccc1CNC(c2c(Cl)c(C(=O)NC)c[nH]2)=O)Oc3cc(Cl)cc(C#N)c3)F	658
+CNC(C(=NO)c1c(cccc1)C)=O	8596
+O=S(=O)(N(C)CCC#Cc1cccc(CF)n1)c2c(cccc2)Cl	92
+N1C(NC2C(CCCCC(=O)N(C)CCCCCC(OC)=O)SCC12)=O	10
+C1CCCC1c2noc3c(O)nc(nc23)-c4c(ccc(c4)S(=O)(=O)N(CCc5cc(OC)c(cc5)OC)C)OCC	92
+S(=O)(C)COc1cccc(CNC)c1	2978
+c1cc(Br)c(Cl)cc1CN(C(C)=O)C	10
+O=S(=O)(N(Cc1cc(Cl)c(cc1)Br)C)C	112
+Clc1cc(ncc1)-c2cc(cc(n2)CN(Cc3ccccn3)C)O	1309
+Clc1ccc2cnc(cc2c1CC(OC)=O)C	8597
+n1c(OC)c(nc2cc(cc(C)c12)F)OC	8598
+c1(nc(OC)c(c(n1)Cl)SC)OC	2901
+c1ccccc1C=Cc2cc(OC)nc(OC)n2	2901
+O(C)c1nc(ncc1OC)Cl	145
+c1(C(=O)OC)cccc(Br)c1OC	47
+COc1cc(C(=O)OC)c(cc1Br)Cl	128
+O(C)c1cc(CCNC(C)=O)c2c(ccc(OC)c2)n1	1155
+c1cc(cc2nc(c(nc12)Cl)OC)OC	1534
+COc1cccc(c1)C2(CC)C(=O)N(CCCC2)CCO	1745
+C[Si](C)(C)OC(c1csc(C)n1)C(=O)OC	8599
+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC)(c2ccc(Cl)c(Cc3ccc(cc3)OC(F)(F)F)c2)OC1CO[Si](C)(C)C	2979
+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC)(OC1CO[Si](C)(C)C)c2ccc(Cl)c(Cc3ccc(cc3)OCC(F)F)c2	2979
+C[Si](C)(C)OCC1OC(c2cc(c(cc2CCCOCC#CC)Cl)Cc3ccc(cc3)OCC)(C(C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)OC	8600
+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(C(OC)(OC1CO[Si](C)(C)C)c2cc(c(Cl)cc2)Cc3ccc(cc3)COC4CC4)O[Si](C)(C)C	2979
+C[Si](C)(C)c1c(cc(c(F)c1F)C(=O)OC)Br	128
+C[Si](C)(C)c1ccc(c(F)c1)Nc2c(ncc(Cl)n2)C(OC)=O	128
+Cc1c2n(NC(=NC2=O)c3cnc(OC)cc3)c(C)n1	91
+C(c1ccc(c(c1)F)Cc2c(NCCCCC)nc(nc2C)N)C(=O)O	479
+Cc1nc(nc(c1CC(OC)=O)O)S	27
+Cc1ncc(C(=O)OC)c(OC)c1Cl	260
+N#Cc1[nH]cc(c1)C(=O)OC	4467
+Ic1cc([nH]c1)C(=O)OC	4544
+c1cc(ccc1-c2c(-c3ccccc3)c4CCCn4c2C(OC)=O)Cl	8601
+c1(ccc(cn1)C(=O)OC)COC	2702
+c1cc(ccc1Cl)-n2c(c(nc2CC(OC)=O)Br)-c3c(cccc3F)F	8602
+Clc1c(cc(F)c(C)c1[N+](=O)[O-])C(=O)OC	47
+Clc1c(C(OC)=O)cc(c(Cl)n1)F	342
+C(=O)(c1cc(Cl)c([N+]([O-])=O)cc1C)OC	47
+Clc1c(C#N)c(COC)nc(c1)Cl	1896
+Clc1cc(C(=O)OC)c(c(c1)O)C	47
+C(=O)(c1cc(I)c(C)cc1Cl)OC	47
+O(c1cc(C)nc(NC)c1[N+](=O)[O-])C	260
+COc1c2C(CCCc2nc(Cl)c1)=O	260
+Clc1cc(c(C(=O)OC)cc1)O	47
+Clc1cc(c(C(=O)OC)cc1)S	47
+S(C)c1cc(c(cc1[N+]([O-])=O)Cl)OC	556
+C(=O)(c1cc([N+]([O-])=O)c(cc1Cl)O)OC	128
+Clc1cc(C(=O)OC)c2c(NCCO2)c1	47
+Clc1cc(C(=O)O)cc(OC)c1	556
+C1CC1c2c(cc(cc2Cl)NC(=NC#N)SC)Cl	2980
+c1(C(=O)O)cc(OC)nc(Cl)c1	91
+Clc1cc(Br)cc(OC)c1	57
+c1(nc(N)cc(OC)c1)C	260
+Clc1ccc(C(c2oc3cc(ccc3c2COC)Br)=O)c(Cl)c1	8603
+Clc1ccc(c(-c2oncc2CCC(OC)=O)c1)Cl	27
+Clc1ccc(c(I)c1)CC(OC)=O	27
+Clc1ccc2c([nH]cc2C(=O)OC)c1	342
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=C)=O	167
+Clc1cccc(c1)C(=O)c2c(C(=O)OC)cccn2	128
+Clc1cccc(C(O)C(OC)=O)c1	27
+Clc1cnc(Cl)c(C(=O)OC)c1	128
+O(c1ncc(Cl)cc1[N+](=O)[O-])C	91
+FC(F)(F)OCCn1cc(c2c(cccc12)Br)C(=O)O	2981
+c1(c2c(C)ccc(F)c2n(CCOC)c1)C(=O)O	2981
+c1c(Br)c2c(c(c[nH]2)C(=O)O)c(F)c1	2981
+FC(F)(F)C1(CCC(CC1)(C(OC)=O)N)OC	27
+FC(F)(F)C=1N(C(=O)N(C(C=1)=O)c2cc3c(cc2)snc3-c4c(COC)ccs4)C	8604
+FC(F)(F)CN=C(N)Nc1nn(CCCCC(=N)OC)cn1	1664
+FC(F)(F)COc1cc(ccc1[N+]([O-])=O)CC(OC)=O	1643
+Cc1cc(cc(C)c1Cc2ccc(c(c2)C(C)C)OCOC)C(OC)=O	2982
+C1CC(CCN1CCC)c2cccc(C(OC)=O)c2	2982
+C1CC(CCN1Cc2ccccc2)(c3cc(OC)ccc3)c4ccc(cc4)C(OC)=O	2982
+FC(F)(F)c1c(-c2cc(on2)CC(=O)OC)ccc(C3CC3)c1	167
+FC(F)(F)c1c(C=O)ccc(c1)N	1179
+FC(F)(F)c1c(C(C(OCC)C(OC)=O)O)ccc(OCc2ccccc2)c1	4545
+FC(F)(F)c1c(F)cc(cc1)CC(OC)=O	27
+FC(F)(F)c1c(OC)cc(cc1)C(=O)O	57
+FC(F)(F)c1c(OC)nc(c(c1)-n2c(ccc2C)C)C(=O)OC	226
+FC(F)(F)c1n(nc(-c2cc(c(cc2F)[N+]([O-])=O)OC)c1Cl)C	57
+FC(F)(F)c1c(c(C=O)cc(-n2c(nc(c2)C)C)c1)N	1179
+FC(F)(F)c1cc(ccc1C)C(OC)=O	47
+FC(F)(F)c1c(ccc(NC(Nc2c(cc(cc2)Oc3ccnc(C(=O)OC)c3)F)=O)c1)Cl	226
+FC(F)(F)c1cc(ccc1CC(OC)=O)Cl	27
+FC(F)(F)c1cc(Nc2nc(cc(COC)c2)Br)ncc1	149
+FC(F)(F)c1cc(Oc2cc(C(OC)=O)ccc2)ccc1	47
+FC(F)(F)c1cc(c(c(-n2c(Br)nc(c2)C)c1)[N+]([O-])=O)OC	57
+FC(F)(F)c1cc(C(=O)OC)cc(c1)[N+](=O)[O-]	47
+FC(F)(F)c1ccc(C=O)c(c1)OC	57
+FC(F)(F)c1ccc(N)c(c1)C(=O)OC	47
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(cc2)CC(=O)OC	27
+FC(F)(F)c1ccc(cc1)-c2ccc(c(COC)n2)C(OC)=O	1896
+FC(F)(F)c1ccc2c(c1)cc(C(=O)OC)[nH]2	226
+FC(F)(F)c1cccc(-c2nc3c(cc(cc3)Br)c(C(=O)OC)c2C)c1	128
+FC(F)(F)c1c(c(C(OC)=O)ccc1)C	47
+FC(F)(F)c1c(c(Cl)ccc1)C(OC)=O	128
+FC(F)(F)c1cccc(c1)Oc2cc(Cl)ccc2C(OC)=O	47
+FC(F)(F)c1ccccc1CNC(=O)C2CCN(CC2)c3nc(nc(N4CCN(CC4)C)n3)OC	2221
+FC(F)(F)c1n(nc(-c2c(cc(c(c2)[N+](=O)[O-])OC)F)c1Cl)C	57
+FC(F)(F)c1cc(C(OC)=O)n(n1)-c2ccccc2	128
+FC(F)(F)c1nn2c(c(ccc2OC)C=O)c1	8605
+FC(F)Oc1cccnc1OC	91
+FC(F)Oc1c(c(nn1C)-c2ccc(c(c2)COC)Cl)Cl	149
+Fc1c(F)c(c(F)c(F)c1C(OC)=O)N	47
+Fc1cc(c(F)cc1C)C(OC)=O	279
+c1(OC)cc(C(=O)O)cc(c1)F	57
+c1c2c(cc(-c3cc(c(NC(N)=O)[nH]3)C(=O)N)cc2)ccc1	8606
+Clc1cc(cc(Cl)c1C#N)NC(SC)=NC#N	2980
+O=S(=O)(c1ccc(cc1)NC(SC)=NC#N)N	2980
+N#Cc1cc(F)c(cc1F)CC(OC)=O	27
+N1(C=CC=C(C1=O)C(=O)NC(CC(OC)=O)c2sccc2)Cc3ccc(F)c(F)c3	27
+N1(c2c(C(=O)N(c3ccc(nc13)F)C)cc(CCO)cn2)CC	1745
+N1(c2ncc(cc2C(Nc3c1nc(cc3C)Cl)=O)CCO)CC	1745
+N1=NN(c2cccc(Br)c2COC)C(=O)N1C	149
+COC=1N=C2N(C=CC=C2)C(C=1Br)=O	8607
+O(C(=O)C1CCCCC1N)C	27
+Nc1c(c(c(C(=O)OC)cc1)C)[N+]([O-])=O	128
+Nc1c(c(cc(c1)C(=O)OC)O)I	128
+Nc1c(c(C(=O)OC)ccc1)Br	47
+Nc1c(c(C(=O)OC)ccc1)F	47
+Nc1c(C(=O)OC)ccc([N+]([O-])=O)c1	128
+Nc1c(cccn1)C(=O)OC	342
+Nc1c(ccnc1)C(=O)OC	128
+Nc1c2CCOc2c(cc1Cl)C(=O)OC	128
+Nc1cc(ccc1F)C(=O)OC	128
+O(c1nc(Cl)cc(N)c1[N+](=O)[O-])C	91
+Nc1cc(c(C(=O)OC)cc1Cl)O	128
+Nc1cc(C(=O)OC)c(cc1)O	47
+Nc1cc2CCCC(c2cc1)C(OC)=O	27
+Nc1ccc(cc1[N+]([O-])=O)C(=O)OC	47
+O=S(=O)(N(CCNc1cccnc1C(OC)=O)C)C	3662
+c1(N)nc(ccn1)-c2c(c3cc(ccc3s2)Cc4cc(C(=O)O)ccc4)C	1983
+C(c1cc(OC)cc(F)c1)C(=O)O	479
+O(C)c1cc(cc(OC)c1OC)CC(=O)O	479
+c1(OCCCCC(=O)O)c(c(O)c(cc1)C(c2c(O)cccc2)=O)CCC	8608
+c1(cccc(Cl)c1Nc2cscc2CC(O)=O)Cl	479
+c1(C(=O)O)cc(ccc1)-c2ccc3COB(c3c2)O	1983
+c1c(cc(c(c1)CC(=O)O)F)Br	479
+c1c(cc(c(c1)CC(=O)O)OC)Br	479
+c1cc(ccc1)CN2c3nc(nc(N)c3NC2=O)CC(OC)=O	2418
+c1cc(ccc1CC(=O)O)Cc2c(C)nc(N)nc2NCCCCC	479
+c1cc(ccc1C(C(=O)O)C)CC=C(C)C	479
+c1ccccc1COc2c(ncc(OCc3ccccc3)c2)C(=O)O	2828
+C1CC(CCO1)(c2cnc(nc2)C)C(=O)O	479
+c1ncncc1Oc2cc(C(=O)O)nc(C)c2	2828
+n1(-c2cc3CC(Cc3cc2)C(=O)O)c(C)nc4cnccc14	479
+c1cnn(n1)-c2c(cccc2F)C(=O)O	1983
+c1(cc[n+]([O-])c(C)c1OC)OC	857
+c1(O)c(C(=O)OC)cc(Br)c(OC)c1F	128
+O(C)c1sc(C(=O)OC)cc1	128
+O(CCc1cccc(F)c1)CC(OC)=O	167
+c1ccnc(c1OC)OC	91
+O(C)c1cc(cc(OC)c1)C=C(C(OC)=O)c2ccc(cc2)O	3261
+O1C(CCC1CCCCCCCC(=O)OC)CCC(O)(CCCCC)C	27
+O1C(c2c(cc(cc2)CCO)C1)=O	1745
+c1(cc2c(cc1)N(C(=O)N(C2=O)CC)CC)C(=O)OC	2656
+c1cc(ccc1C(=O)OC)C(C)CCOC2CCCCO2	2656
+c1(c(cc(Cl)c(c1)C(=O)O)Cl)OC	57
+c12ccccc1c(cc(n2)C(=O)O)C(OC)=O	47
+c12c(cc([N+]([O-])=O)cc1C(OC)=O)cccc2	128
+O(C)C(=O)c1ccc(c(c1N)OC)OC	47
+c1c([N+]([O-])=O)c(c(c(F)c1C(OC)=O)F)N	128
+C1C2C3C(CCC2(C(=O)C1)C)c4c(CC3)cc(c(C(OC)=O)c4)OC(=O)C	128
+O=C1Nc2c(cccc2)CC1CC(=O)OC	167
+O=Cc1cc(cc(C)c1O)C(=O)OC	47
+O=Cc1cc(ccc1O)C(=O)OC	47
+c1(nc2c(cc1C=O)cc(Cl)c(OC)c2)OC	1155
+O=Cc1ccc(-c2ccc(cc2F)F)c(F)c1OC	57
+O=Cc1ccc(cc1O)C(=O)OC	128
+O(C)c1cnc(c(Cl)n1)C=O	799
+O=S(=O)(C)Nc1c(c(ccc1)CC=O)C	8609
+O=S(=O)(C)c1ccc(Oc2cc3cc([nH]c3c(O)c2)C(=O)OC)cn1	128
+O=S(=O)(C)c1ccc(Oc2cc(OC)c3c(cc(C(OC)=O)[nH]3)c2)cn1	2824
+O=S(=O)(C)c1cc(c(cc1)C(=O)OC)Cl	47
+O=S(=O)(C)c1cccc(c1)-c2ccc(-c3cc(nn3-c4ccccc4Cl)CC(OC)=O)s2	1838
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCO	1745
+O=S(=O)(c1cc(C(OC)=O)c(O)cc1)C2CC2	47
+C1CCC1S(=O)(=O)c2ccc(Br)c(c2)OC	57
+O=S(=O)(CC)c1ccc(Br)c(OC)c1	57
+O=S(=O)(Nc1ccc(c(c1)C(OC)=O)F)CCC	47
+O=S(=O)(N)c1cc(c2OCCOc2c1)C(OC)=O	47
+O=S(=O)(N)c1ccc(c(C(=O)OC)c1)O	128
+O=S(=O)(NC)c1ccc(c(C(OC)=O)c1)OC	1668
+O=S(=O)(NC)c1cc(c(O)cc1)C(=O)OC	128
+Fc1cccc(F)c1NS(=O)(=O)c2nn3c(n2)c(ccc3OC)OC	8610
+O=S(=O)(c1nc2nc(cc(n2n1)OC)C)Nc3c(ccc(C)c3Cl)Cl	8611
+c1c(C)c(c(cc1C)C)CC(NC2(CCN(CC2)OCC)C(OC)=O)=O	1838
+O=S(=O)(c1c(ccc(c1)C(OC)=O)Br)Cl	47
+O=S(=O)(N1CCN(CC1)C)c2ccc(c([N+](=O)[O-])c2)OC	556
+O=S(=O)(N)c1cc(cc(C)c1OC)[N+]([O-])=O	57
+O=S(=O)(Nc1ccc(C(OC)=O)c(c1)O)c2cc(ccc2)-c3cc(OCC)ccc3	47
+O=S(=O)(c1ccc(nc1)C=Cc2ccc(cc2F)F)c3cccc(c3)C=O	1179
+O=S(=O)(c1cc(CC(=O)OC)ccc1)C	27
+c1(nccs1)CN2c3cnc(c(O)c3C=C(Br)C2=O)C(=O)OC	3843
+O=S(=O)(c1ccc(cc1)NC(=O)Nc2cccc(C(=N)OC)c2)NCc3c(c(ccc3F)F)F	3703
+O=S(=O)(c1cnc(Oc2cc3c([nH]c(c3)C(=O)OC)c(O)c2)cc1)C	128
+O=S(=O)(Nc1cncc(Cl)c1O)c2cnc(OC)c(Br)c2	91
+O=S(=O)(C)c1nccc(C(CC(OC)=O)NC(c2cncc3c2cnn3-c4ccc(cc4)F)=O)c1	167
+c1([N+]([O-])=O)cccc(c1C#N)OC	1118
+c1cc2[nH]c(cc2cc1)C(OC)=O	226
+c1ccccc1C=2c3c(ccc(Cl)c3)-n4c(nnc4CN=2)CC(OC)=O	4471
+c1cc(ccc1I)C(C)C(OC)OC	8612
+O(C)C(OC)(CC(=O)Nc1cccc(OCc2ccccc2)c1)C	8613
+Oc1c(CC(OC)=O)cccc1	27
+Oc1c(ccc(c1)C(CCCC(OC)=O)=O)O	27
+C(c1cccc(C)c1O)(=O)OC	47
+c1(c(cc(c(C)c1)C(=O)O)[N+]([O-])=O)OC	1118
+c1(c([N+]([O-])=O)cc(F)c(c1)Br)OC	57
+C(=O)(OC)C(C)c1cc(c([N+]([O-])=O)cc1F)F	27
+[N-]=[N+]=NC(CCCCOCc1cc(C)c(F)cc1)C(OC)=O	167
+C(C(=O)OC)(C)c1ccc2Sc3c(cc([N+]([O-])=O)cc3)CC(=O)c2c1	27
+O(c1cc[n+]([O-])c(CCC)c1)C	1210
+COc1c2c([nH]cc2)ncc1	3876
+[nH]1nc(C(=O)OC)c([N+](=O)[O-])c1	226
+[nH]1nc(cc1)C(=O)OC	226
+c1(-c2noc(n2)C)cc(ccc1)C(=O)OC	47
+c1(Br)cccc(F)c1C(=O)OC	47
+c1(Br)cccc(C(=O)OC)c1C	47
+Oc1c(CNc2cncc(OC)n2)cccc1	1335
+Cc1c(c(I)ccc1)C(=O)OC	128
+c1(c2cccnc2[nH]c1)C(=O)OC	342
+c1(cc(Br)c(C)s1)C(=O)OC	1532
+c1(cc(Br)cs1)C(=O)OC	1532
+COc1cc(cc(Cl)n1)C(=O)OC	47
+c1([N+]([O-])=O)c(c(cc(c1)C(=O)OC)O)C	47
+c1cccc(Sc2c(cccc2)OC)c1C(OC)=O	128
+c1(Cl)c(Cl)ncc(c1)C(=O)OC	342
+n1cc(N)cc(c1)C(=O)OC	342
+c1(C(C(C(=O)OC)N)C)[nH]cnc1	27
+c1(C)c2c(ccc1)c(OC)ncc2Br	91
+c1(C)cc(ccc1F)C(OC)CC(CC=C)C(OC)=O	27
+c1(nc(nc(c1)C(=O)OC)OC)C	482
+c1(C)cc(C)c(c(OC)n1)C#N	91
+O(c1c(Cl)nccc1)C	2824
+Cc1nc(c(cc1F)C(=O)OC)OC	91
+c1(Cl)c(cccn1)C(=O)OC	342
+n1cccc(C(=O)OC)c1OC	91
+COc1c2CCCc2ncc1	260
+c1(Cl)cc(c(OC)c(c1Cl)I)C(=O)C	1668
+c1(Cl)cc(C(=O)OC)c(OC)cc1O	47
+c1(c(OC)ncc(c1)C(=O)OC)[N+]([O-])=O	91
+c1(F)c(Cl)cc[n+]([O-])c1CO	3987
+c1(F)c(F)c(c(cc1)CC(OC)=O)C	27
+O=Cc1ccc(Br)c(F)c1OC	57
+O=C(C(=O)C=Cc1ccc(c(F)c1)Br)OC	4546
+c1(N)ccnc(c1)C(=O)OC	226
+c1(N2C(CC(C(OC)=O)C2)=O)ccc(c(C)c1)O	27
+c1(NC(C)=O)c(c(c(cc1)Br)C(=O)OC)[N+]([O-])=O	128
+O=Cc1ccc(NC)nc1	8614
+c1(OC)cc(cc(Br)c1)C(=O)OC	128
+O(c1cc(cc(OC)c1)CC(=O)OC)C	167
+COc1cc(Cl)c([N+]([O-])=O)cc1F	57
+COc1cccc(F)c1[N+]([O-])=O	20
+C(=O)(c1c(C)ccc([N+]([O-])=O)c1)OC	47
+C(=O)(OC)c1ccc([N+]([O-])=O)cc1C	47
+C(c1ccc([N+]([O-])=O)cc1O)(=O)OC	47
+c1([N+]([O-])=O)ccc(nc1)C(=O)OC	226
+c1([N+]([O-])=O)cccc(C(C(OC)=O)N)c1	27
+c1([nH]nc(c1)[N+](=O)[O-])C(=O)OC	226
+c1(c(Br)c(C)cc([N+]([O-])=O)c1)CC(OC)=O	27
+c1cc2c(N(C(=O)C=C2)C)c(c1OC)Br	57
+c1(c(Br)cc(c(C(OC)=O)c1)F)F	47
+c1(cc(C(=O)OC)c(cc1Br)OC)F	57
+c1(c(cc(c(N)c1Cl)[N+](=O)[O-])C(=O)OC)F	128
+COc1c(Br)c[n+]([O-])c(c1C)C	1210
+COc1c(c(ncc1C)CO)C	260
+c12c(OC)ccnc1c([N+]([O-])=O)c(Cl)cc2	260
+c1(c(F)ccc(c1)C(=O)OC)[N+]([O-])=O	47
+c1(c(F)ccc2ncc(nc12)OC)C	1534
+c1(c(F)nc(c(Cl)c1C=O)F)Cl	1179
+COc1c(N)nc2c(ccc(C)c2)n1	1534
+C(c1c(c(F)ccc1)F)(=O)OC	47
+c1c(c(c(c(c1)[N+]([O-])=O)CC(=O)C)F)OC	57
+c1(c(cc(C(=O)OC)c(C)c1)[N+]([O-])=O)OC	47
+c1(c(cc(CC(OC)=O)cc1)Cl)Cl	27
+c1(c(ccc(C)c1C(=O)OC)O)F	128
+O(C)C(Cc1c(cccc1)I)=O	27
+c1(c(C(=O)OC)cccc1Cl)Br	128
+c1(c2ccc(cc2cnn1)-c3c(C)ccc(c3)C(=O)OC)O	47
+C=1C(=C(C([NH+]([O-])C=1)=O)C)SC	8615
+c1cccc(c1C(OC)=O)C(c2cc([N+](=O)[O-])c(Cl)cc2)=O	47
+O(C)c1c(NC(=O)C)c(F)cc(Cl)c1[N+](=O)[O-]	57
+O(C)c1c(NC(OCC)=O)c(F)cc(Cl)c1[N+](=O)[O-]	57
+O(C)C(Cc1cc(c(Cl)cc1Cl)OC)=O	167
+c1(cc(C(=O)OC)c(cc1Br)Cl)F	47
+c1c(C)c(c(cc1C(=O)OC)C)OC	128
+c1(OC)cc(cc([N+]([O-])=O)c1)C(=O)O	1118
+c1c(C(OC)=O)nccc1-c2ccc3cc(OC)ccc3c2	128
+C(=O)(c1ccc([N+]([O-])=O)cc1F)OC	47
+c1(ccc(cc1Br)OC)CC(OC)=O	27
+c1(cccc(Cl)c1C(Cc2c(cc(Cl)cc2)Cl)C(=O)OC)Cl	27
+C(c1cccc(Cl)c1[N+]([O-])=O)(=O)OC	47
+C(c1cccc([N+]([O-])=O)c1F)(=O)OC	47
+c1(ccccc1Cl)C(N)CC(OC)=O	27
+c1(ccnc(OC)c1Br)C	91
+c1(nc(N)c2c(n1)n(C3CCCCO3)c(OC)n2)NC(CCC)C	1010
+c1(nnc(Cl)cc1OC)N	8616
+c12c(ccc(c1)O)C(CC2)C(OC)=O	1643
+n1c(OC)c2c(cc1OC)c(Br)ccc2	91
+c12c(OC)nc(Cl)cc1c(Br)ccc2	91
+c12c(ccc(c1cccc2)C(C(CCCC(=O)OCC)O)=O)F	3409
+c12cc(C(=O)OC)[nH]c1cc(cc2)O	226
+c1(c2c(cc(c(OC)c2)F)c(nc1)O)OC	8617
+c12ccc(cc1[nH]c3c(ccc(Br)c23)C(=O)N)COC	2868
+c12ccc(c(c1occ2CC(OC)=O)Cl)O	27
+c1(C(=O)OC)c[nH]c2c(ccc(F)c12)Br	342
+c1(OC)cc(cc(Br)c1)C(=O)O	2983
+c1c([N+]([O-])=O)cc(N)cc1C(=O)OC	47
+c1c(cc(cc1C(=O)OC)O)Br	47
+c1c([N+]([O-])=O)cc(cc1C(=O)OC)O	47
+c1c(Br)c(Cl)ccc1C(=O)OC	47
+c1c(Br)c(F)ccc1C(=O)OC	128
+c1c(Br)c(ccc1C(=O)OC)O	47
+c1c2CCCC(c2ccc1C(=O)OC)=O	47
+C(c1c(cc(C)c(Br)c1)O)(=O)OC	47
+COc1nc(cc(C)c1C(=O)OC)Cl	91
+Cc1cc(cc(C)c1O)CC(OC)=O	27
+c1c(OC)ccc(c1C)C	1668
+c1c(C)nc(cc1-c2nc(O)c3c(cc(cc3OC)F)n2)C	1111
+c1c(CC(O)C(OC)=O)cc(Br)c(c1)O	1643
+c1cc(ccc1)COc2cc(c(Cl)c(c2)Cl)OC	556
+COc1cc(cc(F)c1[N+]([O-])=O)Br	57
+c1(ncn(-c2c(F)cc([N+]([O-])=O)cc2OC)n1)C	57
+c1c(F)c(c(cc1[N+](=O)[O-])F)N2CCC(CC2)(COC)O	850
+Nc1cc(c(cc1F)C#N)OC	57
+c1(cc(cc(F)c1)-c2c(c(C)c(cc2C(C)O)Cl)C(=O)O)F	4547
+C(CCC(Nc1cccc(C)c1C)=O)(OC)=O	167
+c1c(Nc2c(c(OC)cc(c2F)F)[N+](=O)[O-])c(F)cc(I)c1	57
+c1c(OC)c(Cl)ccc1C(=O)OC	128
+c1c(OC)c(cc(c1)C(=O)OC)O	47
+c1(OC)cc(Br)cc([N+]([O-])=O)c1	1118
+c1(OC)cc(ccc1[N+]([O-])=O)O	57
+c1c(c(O)c(Br)cc1Br)CC(OC)=O	27
+O1Cc2c(ccc(c2OC)Br)C1=O	8618
+c1c(CC(OC)=O)c(c(Cl)cc1)C	167
+c1c(c(Cl)cc(Cl)c1Cl)C(=O)O	4547
+C(c1cc(ccc1O)O)(=O)OC	47
+c1c(cc(C)c(C(=O)OC)c1)Br	47
+c1c(cc(OC)c(c1)C#N)Br	57
+c1c(cc(c(C(=O)OC)c1)O)Br	47
+c1c(cc([N+]([O-])=O)c(C(=O)OC)c1)Br	47
+c1c(cc(C(=O)OC)c(F)c1)F	47
+c1c(cc(c(Nc2c(C(=O)OC)cnc(OC)c2F)c1)F)Br	91
+c1c(cc(c(Nc2nc(ccc2C(=O)OC)Cl)c1)F)Br	342
+c1c(cc(c(Nc2c(C(=O)OC)cnc(Cl)c2F)c1)F)Br	128
+c1c(cc(c(Nc2c(C(=O)OC)ccc(OC)n2)c1)F)Br	91
+O(C)c1c(CCCO)cc(C(=O)OC)cc1OC	128
+c1c(cc(C(=O)OC)c(c1)O)F	47
+c1c(cc(cc1F)C(CC(OC)=O)N)Br	27
+c1c(cc(cc1[N+]([O-])=O)C(=O)OC)I	128
+c1c(cc2c(n[nH]c2c1)C(=O)OC)Br	226
+c1c(cc2c(c[nH]c2c1)CC(OC)=O)Br	167
+c1c(cc2c(c[nH]c2c1)CCC(OC)=O)Br	167
+c1c(cc2ccc(OC)nc2c1)Br	1155
+c1c(ccc(-c2oncc2CCC(OC)=O)c1F)F	27
+c1c(CC=O)ccc(C#N)c1OC	2984
+c1c(ccc2oc(C(=O)OC)cc12)O	8619
+c1c(cnc(c1F)C(=O)OC)F	128
+n1cc(Cl)c(cc1OC)-c2cc(cnc2N)F	91
+c1(ccc(F)c(Br)n1)C(=O)OC	226
+c1ccc(C(OC)=O)nc1-c2nc(Br)ccc2	226
+c1(nc(ccc1)C)C(=O)OC	226
+COc1nc(nc(C(=O)OC)c1)Cl	145
+c1(ccc2c(ccs2)n1)C(=O)OC	226
+COc1nnc(-n2nc(cc2-c3ncccc3)C(=O)OC)cc1	485
+c1c(oc(c1)C(=O)OC)C	128
+c1c(oc2c1cc(cc2)C(=O)OC)CC	47
+c1c2c([nH]cc2CCC(OC)=O)ccc1	27
+c1c2c(ccc1OC)cc(C(=O)OC)c(n2)-c3ccsc3	8620
+c1(c(CC)cccc1)CC=O	2984
+c1cc(ncc1Br)CS(=O)C	8621
+c1cc(O)c(nc1)C(=O)OC	226
+c1(OC)ccc(nc1OC)I	640
+C(c1ccc(Cl)nc1Cl)(=O)OC	342
+C(C=O)c1ccc(c(c1)F)C#N	2984
+c12cccc(OC)c1cccc2N	1668
+c1cc(cc(CCCCCC)c1OC)C(=O)OC	47
+c1cc(cc(N)c1)Oc2ccnc(C(OC)=O)c2	128
+c1ccccc1-c2c(c(C(OC)=O)c3c(cccc3)n2)C	279
+c1ccccc1-c2c(C(=O)OC)ccc(c2)Br	47
+c1cc(ccc1)-c2nc(c(c(C)n2)C(C(OC)=O)CCC)O	27
+c1cc(ccc1)C(C2CCCC2)C(=O)OC	27
+c1cc(ccc1)C(C(=O)OC)C2CCCCC2	27
+c1ccccc1C2N(C(CC2C(OC)=O)=O)C	167
+c1ccccc1COc2ccc(c(CC)c2)C(C(OCC)C(=O)OC)O	4545
+CC1(C)C(N(Cc2ccccc2)C(CO1)C(=O)OC)=O	167
+c1cc(ccc1)CN2N=CC(Cl)=C(C2=O)OC	8622
+C1CN(CCC1CNc2nccnc2OC)C(OCc3ccccc3)=O	799
+c1cc(ccc1)COc2c(Cc3c(OC)c(c(OC)c(c3C)OC)OC)cccc2C(=O)OC	128
+c1cc(ccc1)CN2c3c(c(nc(N(C)C)n3)N)NC2=O	8623
+c1ccccc1Cn2c(nc3c(N)nc(NCCOC)nc23)OC	1010
+c1cc(ccc1)N2C(c3cccc(c3)OC)C(C(OC)=O)CC2=O	27
+c1cc(ccc1)S(=O)c2ccc(nc2)OC	640
+c1cc(ccc1)Sc2c(cc(cc2)Br)C(OC)=O	47
+c1cc(ccc1Cl)-c2c(C(O)C(OC)=O)c(C)nc3[nH]c(c(C)c23)C	27
+c1cc(ccc1C)-c2cc(C(=O)OC)cc(c2)[N+]([O-])=O	47
+c1cc(ccc1-c2ccc(N)cc2C)C(OC)=O	47
+c1cc(ccc1-c2oc3c(cc(c(c3)N(c4cc(CC(=O)OC)c([N+](=O)[O-])cc4)S(=O)(=O)C)C5CC5)c2C(NC)=O)F	167
+c1cc(ccc1-c2oc3cc(c(cc3c2C(NC)=O)OC(C)C)CC(OC)=O)F	27
+c1cc(ccc1[N+]([O-])=O)-n2c(COC)nc(-c3c(noc3C)-c4ccccc4)c2	2130
+c1cc(ccc1Br)C2CC(CC2)(N)C(=O)OC	27
+c1cc(ccc1-c2nc3n(cc(cc3)C)c2)C=O	1179
+c1cc(ccc1CC(=O)OC)C#N	27
+c1cc(ccc1C=O)NCCCCCCCCCCCCCCCC	1179
+c1cc(ccc1C(=Cc2ccc(F)c(c2)C)C(OC)=O)O	2985
+c1cc(ccc1-c2ccc(N)nc2)C(OC)=O	47
+c1cc(ccc1C(C)(C)C(OC)=O)O	27
+c1cc(ccc1C(C)(C)CC(OC)=O)OC	167
+c1cc(ccc1C(C)C)NC(=O)c2ccc(nc2)OC	91
+CC(C)(C(OC)=O)CC(=O)c1ccc(cc1)Br	167
+c1cc(ccc1C(CCCC(=O)OC)c2cccnc2)CCNS(=O)(=O)c3ccc(cc3)Cl	27
+c1cc(ccc1C(NC(C(=O)O)CCCC(=O)OC)=O)F	167
+c1cc(ccc1C(OC)=O)-c2ccc(N)nc2C	47
+c1cc(ccc1CCCCCCCCCCCC)C(OC)=O	47
+c1cc(ccc1C(=O)OC)OCCCCCCOC	176
+c1ccccc1C(c2ccc(cc2)Br)C(OC)=O	27
+c1cc(ccc1-c2nc(OC)cc(n2)C)C	145
+c1cc(ccc1C=CC(=O)OC)C	2985
+c1cc(ccc1Oc2ccccc2C(=O)OC)C	47
+n1c(sc(-c2occc2)c1)Cc3c(Cl)ccc(C4OC(COC)C(C(O)C4O)O)c3	8624
+c1cc(ccc1C2C(C2)C(=O)O)Cl	8625
+c1cc(ccc1C=C(C)C(OC)=O)O	8626
+c1cc(ccc1C=CC(C(=O)OC)=O)-c2cc(OCC)ccc2	4546
+c1cc(ccc1C=CC(=O)OC)Cl	2985
+c1cc(ccc1COC)CC(=O)O	149
+c1cc(ccc1CC(=O)OC)CC(=O)NCCCc2c(nc(N)nc2C)NCCCCC	167
+c1cc(ccc1O)CC(C#N)C(OC)=O	167
+c1cc(ccc1CC(C(=O)OC)NC(C)=O)Br	27
+c1cc(ccc1CC(=O)OC)S(=O)(=O)C	167
+c1cc(ccc1CCC(=O)OC)F	167
+c1cc(ccc1CCNc2nc(nc(CO)c2)OC)OC	482
+c1cc(ccc1CC(OC)=O)CN(CCCN2C(Nc3c(nc(nc23)OCCCC)N)=O)CCCO	27
+c1cc(ccc1CNC(=O)c2c(O)c3c(nc2)c(cc(I)c3)OC)Cl	4548
+c1cc(ccc1COC(N2CC(O)CC2C(OC)=O)=O)OC	167
+c1cc(ccc1Cc2cccc(C(=N)OC)n2)Cl	4549
+c1cc(ccc1C(CO)=O)Cl	8627
+c1cc(ccc1CN2C(=O)C(OC)=NN(c3c(CO)cccc3)C2=O)Cl	4550
+c1cc(ccc1Cl)CN2C(C(=NN(C2=O)c3cc(NC(C)=O)ccc3)OC)=O	4550
+c1cc(ccc1CNC(=O)c2c(c3cc(c(c(OC)c3nc2)F)F)O)Cl	4548
+c1cc(ccc1Cl)S(=O)(=O)N2CCCC(Nc3nccc(-c4n5c(scc5)nc4-c6cccc(C(N)=O)c6)n3)C2	8628
+CC1(C)OC1(OC)c2ccc(cc2)F	2636
+c1cc(ccc1CN(C(CC(=O)C(OC)=O)=O)OC)F	2935
+c1cc(ccc1F)CNC(=O)c2c(O)c(OCc3ccccc3)c(C(=O)OC)nc2	226
+c1cc(ccc1F)CNC(c2cnc(c(c2O)OC)C)=O	1810
+c1cc(ccc1N)C(CCC(OC)=O)=O	167
+c1cc(ccc1CCCc2ccc(cc2)N)Nc3c(cccc3)C(OC)=O	47
+c1cc(ccc1N2CC(C(=O)OC)CC2=O)C	167
+c1cc(ccc1OCCCCCCOC)N2CCN(CC2)C(=O)C	176
+c1cc(ccc1Nc2nc(-c3nc(ccc3)OC)nc4ccccc24)Cl	640
+c1cc(ccc1C(=O)OC)Nc2ncnc(N(C)C)c2	128
+c1cc(ccc1Nc2c3c(cc(OC)c([N+]([O-])=O)c3)ncn2)Oc4ccccc4	724
+c1cc(ccc1O)-c2ccc(cc2)C(OC)=O	47
+c1cc(ccc1O)C(N)CC(OC)=O	27
+c1cc(ccc1O)CCCCCCCCC(OC)=O	27
+c1cc(ccc1OC)-c2nc(OC)nnc2-c3ccc(cc3)OC	8629
+c1cc(ccc1OC)-c2c(oc(n2)OC)-c3ccc(cc3)OCc4ccccc4	8630
+c1cc(ccc1CNc2cccc([N+]([O-])=O)c2C)Oc3ccc(cc3)CCC(OC)=O	167
+c1cc(ccn1)-c2cn(nc2-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F)C5CCN(CC5)C	2690
+c1cnccc1-c2c(nc(N)nc2-c3cc(F)ccc3)OC	145
+c1cc2c(CC(NC2)C(OC)=O)cc1F	27
+c1cccc(-c2cc([N+]([O-])=O)cc(C(=O)OC)c2)c1OC	47
+c1ccccc1-c2c(OC)ncc([N+](=O)[O-])c2	640
+c1ccccc1C(C)N2C(=O)CC(CC=C)(C2)COC	2868
+c1ccccc1C(=O)Nc2cc(c(cc2)OC)[N+](=O)[O-]	57
+c1ccccc1C(c2ccccc2)(C)C(C(=O)N)O	8631
+c1cc(ccc1)C(c2ccccc2)C(=O)OC	167
+c1ccccc1C(c2ccccn2)C(OC)=O	4473
+c1ccccc1C(C)n2c3nc(ncc3c(c2C)C(=O)NCc4c(cc(nc4O)C)C)OC	482
+C1CNCCC1(C(OC)=O)c2ccccc2	167
+c1ccccc1C=2c3cc(Br)ccc3C(=O)OC=2C(=O)OC	8632
+c1ccccc1CC(C(OC)=O)O	27
+c1ccccc1CCC(N)C(OC)=O	27
+c1ccccc1CCCCCC(OC)=O	27
+c1ccccc1CCCCCCC(C(=N)OC)O	1664
+c1ccccc1CN2CCc3nc(Cl)nc(OC)c3C2	145
+c1ccccc1COC(N2CCC34CCCCC3C2Cc5cc(c(cc45)O)OC)=O	669
+CC(C)CC(NC(=O)OCc1ccccc1)C(COC)O	850
+c1ccccc1COC(NCC(C(=O)OC)C)=O	27
+c1ccccc1COC(NC(CN)C(OC)=O)=O	27
+c1ccccc1COc2c3c(cc(Cl)c2)oc(-c4nc5n(nc(OC)s5)c4)c3	2867
+c1ccccc1COc2c3cc(oc3ccc2)-c4nc5n(c4)nc(OC)s5	2867
+c1ccccc1COc2c3n(CCOC)c(C)nc3cc(c2)C(=O)OC	47
+c1ccccc1COc2ccc(cc2)N3C(CC(C(=O)OC)C3)=O	167
+c1ccccc1COc2ccc3n(ccc3c2)CCC(OC)=O	167
+c1ccccc1Cc2cccc(C(=N)OC)n2	4549
+c1cc(ccc1)S(CC2CC(=O)N2)=O	8633
+c1cnccc1-c2c(-c3ccc(cc3)OCc4cc(OC)c5ccccc5n4)nn(c2)C	260
+c1cnccc1CNc2nc3c(c(N)n2)nc(OC)n3Cc4ccc(cc4)CO	1010
+c1nc(ncc1)-c2nc(c(Oc3c(OC)cccc3)c(OC)n2)N	145
+c1nc(ncc1O)-c2cccc(C(OC)=O)c2	47
+n1c2ccccc2c([nH]1)C(OC)=O	226
+n1c(Br)sc2cc(ccc12)C(=O)OC	47
+n1cc2ccccc2cc1COC	2702
+COc1nc(nc(Cl)c1)SC	145
+c1c(CSc2nc(Cl)cc(n2)OC)c(c(F)cc1)F	145
+COc1nc(ccc1F)F	430
+COc1ncc(C)c(c1C)I	430
+n1cc(ccc1-c2ccc3cc(OC)ccc3c2)C(=O)OC	128
+o1c2c(c(c1C(CCCCOC)=O)C)cc(OC)cc2	649
+o1c2c(cc(cc2)C(=O)OC)c(c1CO)C	128
+OB(O)c1cc(OC)c(cc1)F	493
+OB(O)c1cnc(cc1)OCCCCCC	493
+COB(O)c1ccc(nc1)OCCCCCC	493
+c1c(c([N+]([O-])=O)cc(-c2cc(OCC)ccc2)c1)CC(OC)=O	1540
+c1cc(ccc1OC)-c2cc3NC(=O)C(c3cc2)C(OC)=O	8634
+c1ccc(Nc2ccc3OCOc3c2)c(C(OC)=O)c1C(OC)=O	1215
+c1ccc(c(C(OC)=O)c1C(OC)=O)Nc2c(cccc2)OC	1215
+c1c(-c2c(c(C(OC)=O)sn2)C(=O)OC)cccc1C	8635
+O=C(C(c1c2c(ccc1)ccn2CC)=O)OC	8636
+CC1(C)OC2C(O1)C(Nc3nc(nc(OC)c3I)SC)CC2CO	1522
+CC1(C)OC(CO1)c2ccc3cccc(Br)c3n2	1522
+c1cc(ccc1Br)CC2OC(C)(C)OC2	1522
+c1cc(ccc1NC(=O)C(C(OC)=O)C(C)C)I	8637
+c1cc(ccc1CCCCO)OCC2OC(C)(C)OC2	1522
+c1ccccc1COc2ccc(cc2)CC3OC(C)(C)OC3=O	8638
+CC1(C)OC2CCCCC2N1c3nc4c(s3)cc(cc4)C#N	8639
+N#Cc1c(cc2c(C(=NC3=C(C)NNC3=N2)c4c(cccc4)Cl)c1)OCCOCCOC	8640
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(OCC)=O	730
+c12c3c(cccc3)ncc1nc(CCC)n2CCCC(OCC)=O	730
+c12c3c(cccc3)ncc1nc(CCC)n2Cc4cc(on4)-c5cccnc5	730
+c1cc(ccc1F)-c2noc(Cn3c(CCC)nc4cnc5cccnc5c34)c2	3838
+c1cc(ccc1F)-c2cc(Cn3c4c5ccccc5nc(Cl)c4nc3CCC)on2	730
+O=S1(=O)CC(n2c(CCl)nc3cc(cc(F)c23)Cl)CC1	8641
+COC(OC)C1(CC(c2c(c(O)c(C)c(c2O1)C)C)=O)C	2003
+c12c(cc(cc1)F)cnc(O)c2	4551
+O(C)C(OC)C1(Oc2c(c(c(O)c(C)c2C)C)CC1)C	165
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=4CC(ON=4)C(OC)OC	1820
+c1cc(ccc1-c2nn3c(c2-c4ccncc4)nccc3)F	8642
+O(C)C(OC)CN=C1c2ccccc2Nc3cc(Cl)ccc3N1	8643
+COc1nc2N(C(=O)C=Nc2cc1)CC=O	571
+c1cc(ccc1F)CN(CC(OC)OC)S(=O)(=O)c2ccc(cc2)C	92
+c1cc(ccc1-c2nc3c(cc(C4=NNC(=O)CC4CC)cc3)o2)OCC=O	571
+n1cc([N+]([O-])=O)cn1CC=O	571
+COC(OC)Cn1ncc2c1ccc(c2)Oc3ccc(cc3CN)F	107
+c1cc(cc(c1Oc2cc3cnn(c3cc2)CC=O)C#N)F	571
+CN(C)CCN(Cc1cc2c(N(C(Nc3ncc(C#N)c(NCCOC)c3)=O)CCC2)nc1C(OC)OC)C(C)=O	2861
+COC(OC)c1c(cncc1F)N	8644
+C1CC(CCC1)N(C(=O)OCc2ccccc2)c3cccc(Oc4ccc([N+]([O-])=O)c(C=O)c4)c3	1054
+COC(OC)c1c([N+]([O-])=O)ccc(Oc2cccc(N(C3CCCCC3)C(=O)OCc4ccccc4)c2)c1	1199
+COC(OC)c1c(N)c(ncc1F)C2CC2	2222
+COC(OC)c1cc(Br)c(nc1)CO	813
+c1(cc(Br)c(CO)nc1)C=O	8645
+c1cc(ccc1-c2ccc(cc2)NC(C=Cc3ccc(cc3)C(OC)OC)=O)Cl	1313
+c1cc(ccc1O)CCNc2nc(ccn2)-c3cccc(C(OC)OC)c3	96
+COC(OC)c1c[n+](c(c(Br)c1)C)[O-]	103
+O=Cc1ccnc(SC)n1	4552
+COC(OC)c1c(N2C(COCC2)=O)cc3CCCN(C(Nc4ncc(C#N)c(NCCOC)c4)=O)c3n1	2861
+O=S(=O)(OC(c1cc2c(nc1C(OC)OC)N(C(Nc3ncc(C#N)c(NCCOC)c3)=O)CCC2)C)C	7
+COC1CC(C(=O)O)COC1	4
+O=S(=O)(c1ccc(N2CCC(C2)OC)nc1)Cl	4553
+COC1CCN(c2ccc(N)cn2)C1	13
+c1cc(ccc1Cl)C2=C(OC)N=C3C=CC=CN3C2=O	8646
+c1cc(ccc1C(COC)(COC)C(OC)=O)O	2986
+O=S(=O)(c1cnc(Oc2cc(OC(COC)COC)c3[nH]c(C(OC)=O)cc3c2)cc1)C	1346
+FC(F)(F)C1=CC(N(C(N1C)=O)c2c(cc(Cl)c3c(c(oc23)C)C(=NOC)C)F)=O	8647
+FC(F)(F)COc1cc(c(C(CBr)=NOC)nc1)Cl	1213
+c1c([N+]([O-])=O)c(cc(c1)C(=O)OC)C=NOC	135
+Cc1ccc(C=NOC)cc1F	135
+c1(cc(cc(Cl)c1CCC=NOC)Cl)Cl	410
+CONC(=O)c1cc(OC)cc(C2=Cc3c(cc(nc3)NCC)N(C2=O)CC)c1	514
+c1ccc(cc1C#Cc2cncc(C=NOC)c2)OC	506
+c12c(cc(cc1)C=NOC)ncn2-c3cccc(c3)Br	135
+c1(cc(cc(Cl)c1CCC(C)=NOC)Cl)Cl	350
+c1c2ncn(c2ccc1)-c3ccc(C(=NOC)CCCC)s3	8648
+c1cc(ccc1C=CC(N(OC)C)=O)Cl	8649
+c1cc(ccc1C=NOC)F	135
+c1cc(ccc1C(C)=NOC)I	189
+c1cc(ccc1OC)C=NOC	135
+c1cc(ccc1OCC(=O)c2cccc(OC)c2)CC(OCC)C(=O)NOC	293
+c1ccc2C(=O)N(C(=O)c2c1)CC(c3ncc(OC)cc3Cl)=NOC	1213
+c1ccccc1-c2ccc(c(C=NOC)c2)CO	135
+c1ccccc1[Si](c2ccccc2)(N3C(CC3C=NOC)=O)C(C)(C)C	410
+c1ccccc1NC(=O)N(CCCCn2c3c4ncccc4nc(N)c3nc2CCC)OC	3693
+COP(OC)(CC(=O)C(CCCc1ccccc1)C)=O	3978
+O(C)P(OC)(C(OC)C(=O)O)=O	4
+C1CC2(CCC1=CC(=O)OC)OCCO2	1513
+Fc1cc(cc(F)c1C=CC(OC)=O)NC(OC(C)C)=O	4554
+C1CC(CCC1=CC(=O)OC)(c2ccc(cc2)Br)CO	1513
+c1cc(ccc1Oc2ccccc2C=CC(=O)OC)Cl	4554
+c1(c(O)c2c(COC2=O)c(c1OC)C)CC=C(C)CP(=O)(O)OC	1560
+n1cc(cnc1C)C(CC=CC(CCc2ccc3CCCNc3n2)=O)CC(OCC)=O	1278
+COP(OC)(Cc1cc2cc(Cl)ccc2nc1C)=O	8650
+COP(OC)(CC(=CCc1c(c(c2c(C(OC2)=O)c1O)C)OC)C)=O	8651
+c1cc(ccc1Cn2c(nc(OC)n2)Br)OC	8652
+COc1c(-c2cc(ncc2F)N)ccc(c1)F	2987
+C(c1cc(OC)nc(Nc2cc(c(cn2)F)-c3c(OC)cc(cc3)F)c1)SC	346
+FC(F)(F)c1cc(CSC)cc(Nc2ncc(F)c(c2)-c3c(OC)cc(F)cc3)n1	346
+O(c1c(-c2ccnn2C)cc(C(=O)O)s1)C	1
+O(C)c1c(Br)cnc(CO)c1C	813
+COc1c(cc(cc1C)Br)C(=O)O	1
+c1(CO)cc(cc(C)c1OC)Br	98
+O(c1c(CO)cc(F)cn1)C	295
+COc1c(C)cc(cc1C(=O)C)F	155
+COc1c(cc(cc1Cl)F)C(=O)C	155
+FC(F)(F)c1c(ccc(NC(=O)c2c(CCCCCCCCCCCCCCC)cccc2OC)c1)C#N	50
+C(c1c(cccc1F)OC)CC	414
+c1c2c(cc(cc2)-c3c4c(OC)c(ccc4[nH]n3)Br)ccc1	1216
+O(c1c(Cc2cc3c(s2)cccc3)cc(Br)c4c1cccc4)C	1429
+c1(c(OC)c(C)cc(c1)F)C(C)N	474
+c1cc(ccc1[N+](=O)[O-])Oc2cc(OC)c(C)cc2	46
+COc1c(C=C)cc(Cl)c(c1)C(=O)O	1
+FC(F)(F)C(c1cc(Cl)c(c(Cl)c1)Cl)C=Cc2cc(c(C(=O)O)cc2OC)Cl	2517
+Clc1c(cnc(c1C(c2c(c(OC)c(cc2C)OC)OC)O)OC)Br	2988
+C(c1c(cccc1Cl)OC)C(=O)O	1746
+c1(C)c(OC)c(Cl)c(CO)nc1	813
+FC(F)(F)c1cnc(c(O)n1)-c2cc(OC)c(Cl)cc2F	2989
+C(O)c1cc(c(Cl)cc1F)OC	49
+c1(c(O)c(F)c(cc1)C(=O)N)F	5
+c1cc(ccc1C2CC(NC(c3cc(c(cc3)F)OC)C)CC2)CC(OCC)=O	87
+c1cc(ccc1C#N)Oc2ccc(c(c2)OC)F	46
+FC(F)(F)c1cnc(cc1)NCC2N(CC(CC2)C)C(c3cccc(c3OC)F)=O	30
+COc1c(c(C)cc(c1)Br)C#N	2223
+C12C(OCO1)CN(C2)CCOc3c(OC)cc4c(ncnc4Cl)c3	126
+C(c1ccc2c(c(OC)c(cc2c1)OC)OC)O	49
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	159
+Oc1c(ccc(C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O)c1)O	2990
+c1(OC)cc(ccc1O)C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O	5
+c1c(N)cc(cc1)Oc2c3c(cc(OCCOC)c(OC)c3)ncn2	185
+FC(F)Oc1ccc(c(c1OC)OCOC)Br	1548
+COc1cccc(c1N)O	0
+c1cc(ccc1C2=Cc3c(OC2=O)c(OC)c(OC)c([N+]([O-])=O)c3)Cl	8653
+c1cc(ccc1CNC(c2c(OC)cc(cc2F)Br)=O)Cl	14
+c1(ccc(c(F)c1F)C(=O)c2cc(ccc2Cl)Br)OC	222
+COc1c(c(OC)cc(c1OC)C=O)OC	2224
+Cc1nn(C(C)c2cc(Cl)c(c(c2OC)-c3cc(C#N)ncc3)C)c4c1c(ncn4)N	2649
+O(C)c1c(c(I)c(c(c1N)C(=O)N)C)F	8654
+COc1cc(cc(NC)c1N)Br	0
+c1cc(ccc1)COc2cc(F)cc(OC)c2[N+](=O)[O-]	22
+c1(c(c(N)c(OC)c(F)c1)C(=O)O)C	4555
+c1(c(cc(OC)c(c1)C(=O)O)-c2ccccc2OCC)Cl	134
+c1(cc(C(=O)O)c(cc1-c2ccccc2F)OC)Cl	134
+COc1c(cc(c(CCO)c1)F)C#N	95
+[N+](=O)(c1cc(c(cc1OC)CCN)OC)[O-]	77
+Nc1c(C(=O)C)cc(c(c1)CC)OC	0
+COc1c(cc(F)c(c1)CC=O)C#N	24
+c1ccccc1-c2nc3c(nc2)cc(c(OC)c3C(OC)=O)Br	8655
+c1(c(ccc(c1)C(=CC)c2ccc(OC)c(c2)[N+](=O)[O-])OC)OCC	8656
+c1(cc(C)c(OC)c(c1)C(=O)O)-c2cc(F)ccc2	11
+c1(cc(cc(Cl)c1OC)F)C(C)N	474
+c1n(c(nc1)Sc2ccc(cc2Cl)Nc3c4c(cc(c(OC)c4)F)ncc3C#N)C	179
+CC(C)c1ccc(nc1OC)N	1747
+NC(=S)Nc1cc(c(cc1)-n2cnc(Cl)c2)OC	1099
+c1(NC(C)=O)c(C(=O)C)cc(c(OC)c1)CC	94
+c1ccccc1C#CC(c2ccc(c(c2OC)OC)[N+]([O-])=O)O	8657
+c1c(c(C2(O)C(=O)Nc3ccc(I)cc23)ccc1)OC	4556
+c1cc(ccc1)CN2CC3C(O)(c4c(cccc4)OC)C(CCC3C2)C	1035
+c1c(c(OC)c(Br)cc1)CO	49
+O(c1c2C(CCCc2nc(Cl)c1)O)C	652
+COc1c2CCCc2ncc1[N+]([O-])=O	1026
+Oc1c([N+]([O-])=O)cnc2CCCc12	5
+COc1cccc2c(C(=O)C)c[nH]c12	432
+O(c1c2n(ncc2)cc(Br)c1)C	4557
+c1cc(ccc1OC2Cc3c(c(ccc3C2=O)C)OC)[N+]([O-])=O	8658
+c1cc(ccc1)S(=O)(=O)n2c3c(c(OC)ccn3)cc2	276
+c1(Cn2nc(N)c3c(cccc23)OC)ccc(OC)c(c1)F	823
+COc1c(C(c2sc3c(cccc3)c2)O)cc(c4c1cccc4)Br	2991
+COc1c2c(C#N)cnn2cc(c1)Br	4558
+COc1c(C)ccc2cnc(Cl)nc12	511
+C[Si](C)(C)C#Cc1cnn2c1c(OC)cc(-c3cn(C)nc3)c2	8659
+COc1cc(-c2cnn(C)c2)cn3ncc(I)c13	8660
+c1cc(ccc1)CSc2c(cc(Nc3cc(Cl)c(cc3OC)Br)c(c2)C=CC(=O)OCC)F	1215
+c1cc(ccc1-c2c(Cl)c3c(c(c2)OC)NC(C3=O)=O)F	11
+c1cc(ccc1CON=C(c2c(Br)cc(c(O)c2)OC)C)[N+]([O-])=O	189
+Nc1cc(OCCOC)c(OC)cc1C#N	0
+Nc1cc(OCC#C)c(OC)cc1C(=O)OC	0
+Nc1cc(OCCOC)c(OC)cc1C(=O)OC	0
+COc1c(C=C)cc(Cl)c(C(=O)OC)c1	2225
+c1c(OC)c(Cl)ccc1C(=O)O	820
+N#Cc1ccccc1Oc2c(cc(cc2)C)OC	46
+COc1cc(CSC)cc(Cl)n1	639
+Nc1c(Cl)cc(OC)c(F)c1	0
+c1cc(ccc1C(=O)c2c(cc(OC)c(Br)c2)Cl)OCC	358
+O=S(=O)(Cl)c1c(OC)cc(c(C(=O)O)c1)OCC	240
+COc1cc(OCOC)c(cc1)C(N(OC)C)=O	280
+c1cc(ccc1OCc2ccccc2)C(c3c(OCOC)cc(OC)cc3)=O	1217
+[N+](c1cc(c(NC(C)=O)c(c1)O)Br)([O-])=O	5
+Nc1cc(c2c(CCC(=O)N2)c1)OC	0
+Nc1cc(c(cc1)-c2cnco2)OC	0
+Nc1cc(c(cc1)-n2cnc(CO)c2)OC	0
+Nc1cc(c(cc1)-n2cnc(Cl)c2)OC	0
+Nc1cc(OC)c(C)cc1	0
+O(C)c1c(-c2sc3c(cccc3)n2)ccc([N+]([O-])=O)c1	8661
+c1cc(ccc1)-c2noc(C)c2-c3oc(-c4c(cc([N+]([O-])=O)cc4)OC)nn3	2226
+Nc1cc(c(cc1)CC)OC	0
+COc1cc([N+]([O-])=O)ccc1-n2cnc(Cl)c2	2067
+COc1cc([N+]([O-])=O)ccc1-n2cnc(CO)c2	431
+c1(Cl)c(cc(OC)c(I)c1)-c2cc(F)ccc2	235
+Nc1cc(ccc1-c2cc(OC)ccc2F)C(=O)OC	0
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3ccc(c(Cl)n3)-c4c(F)ccc(c4)OC	328
+c1(I)c2c(n(C3CCCCO3)n1)cc(-c4c(CC)cc(OC)c(c4)F)cc2	580
+COc1c(c(cc(c1)Br)NC)[N+]([O-])=O	60
+c1c(OC)c([N+]([O-])=O)c(cc1C#N)F	180
+COc1cc(cc2n(nnc12)C)Br	2183
+COc1cc(cc(OC)c1)-c2cccc(c2)C(Nc3c(cccc3)-c4sc(cc4)C(OC)=O)=O	50
+COc1cc(cc(OC)c1)-c2cc(ccc2)C(=O)O	6
+COc1cc(cc(OC)c1)-c2cccc(c2)C(Nc3c(cccc3)-c4sc(cc4)C(O)=O)=O	1
+c1(OC)cc(cc(OC)c1)-c2ncc3c([nH]nc3c2)I	8662
+COc1cc(cc(OC)c1)-c2c3c(cc(cc3)OC)c(Cl)nn2	218
+C1CN(CCC1N2CCN(CC2)C)c3c(cc(Nc4ncc(cn4)CCc5cc(OC)cc(c5)OC)cc3)OC	8663
+CC(C)C(c1cc(OC)cc(c1)OC)(CC2CN(CCc3cc(OC)cc(c3)OC)CCC2)C#N	3851
+O(c1cc(cc(OC)c1)C(=O)Cc2ccnc(Cl)n2)C	4559
+O(c1cc(cc(OC)c1)C(c2cc(ccc2)OC)=CC#N)C	2719
+COc1cc(cc(OC)c1)C2=CC(c3ccc(cc3O2)OCC4OC4)=O	72
+c1cc(ccc1C(C(OC)=O)=Cc2cc(OC)cc(c2)OC)Oc3ccc(cc3)CO	41
+c1cc(ccc1Oc2ccc(cc2)C=C3SC(=O)NC3=O)C(C(OC)=O)=Cc4cc(OC)cc(c4)OC	377
+O(C)c1cc(cc(OC)c1)CC[N+]([O-])=O	364
+c1c(OC)cc(cc1CN2C(=C(c3ccccc3)c4c(ccc(Br)c4)C2=O)C(=O)OC)OC	8664
+c1(OC)cc(cc(OC)c1)Nc2c(-c3nnc([nH]3)Nc4cc(OC)cc(c4)OC)cccn2	8665
+O(C)c1cc(cc(OC)c1Br)CCl	229
+c1c(OC)c(c(cc1COC2CCC2)OC)B(O)O	422
+c1(cc(cc(OC)c1C(C)C)OC)OC	1382
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	171
+c1c(OC)c(c(cc1C2c3cc4c(OCO4)cc3C(C5C2COC5=O)N)OC)O	18
+O(C)c1cc(cc(OC)c1OC)-c2nccc(CO)c2	217
+O(C)c1cc(cc(OC)c1OC)-c2ncnc(C=O)c2	501
+COc1cc(cc(OC)c1OC)C(N2CCNC(C(OC)=O)C2)=O	115
+c1cc(ccc1C(c2cc(OC)c(c(OC)c2)OC)=O)OC	222
+O(C)c1cc(cc(OC)c1OC)C(=O)N(CCC2CCCN2C)CC(=Cc3ccccc3)C	8666
+c1c(OC)c(c(cc1Cc2sc3c(cccc3)c2)OC)OC	1429
+c1(cc(cc(OC)c1OC)CCC(=O)OC)OC	159
+c1(OC)cc(cc(OC)n1)CCc2cc(N)[nH]n2	4357
+c1c(OC)c(N)c([N+]([O-])=O)cc1C#N	180
+c1cc(C#N)c(cc1F)O	5
+c1cc(ccc1)-c2noc(C)c2-c3nnc(o3)-c4c(OC)cc(F)cc4	2226
+Clc1ccc(C(N(c2ccc(Cl)c(OC)c2)c3nc(C(=O)O)cs3)=O)c(Cl)c1	8667
+Fc1cc(cc(F)c1F)C=2c3cc(OC)ccc3C(=O)N(c4cccc(c4)C#N)C=2	2220
+c1(cccc(Cl)c1C(c2c(cc3c(c2)C=C3C#N)OC)=O)Cl	222
+c1(cc2ccc(O)nc2cc1)N3C(c4cc(OC)ccc4C3)=O	8668
+C(c1cc(c(C)cc1)N2C(=O)c3cc(OC)ccc3N=C2)(=O)O	1
+c1cc(ccc1)CNC2CCc3c(cc(cc3)OC)C2	87
+c1ccccc1CN2CCC(CC2)NC3Cc4c(ccc(OC)c4)CC3	87
+COc1cc2CC3(C(=CC(=O)CC3)c2cc1)C	2992
+C1(O)CCC2C3=C(CCC12CC)c4ccc(OC)cc4CC3	100
+c1ccccc1C2C(=O)c3c(cc(OC)cc3)CC2	8669
+COc1cc2c(cc1)C(NCC2)C	1218
+c1(c(cc2N(CCn3ncc(c3)[N+]([O-])=O)CCc2c1)OC)OC	713
+c1(cc2NC(=O)COc2cc1)N3C(CC(NCCCCN4C(=O)C=Nc5ccc(OC)cc45)C3)=O	110
+COc1cc2N(C(=O)C=Nc2cc1)CCCC=O	24
+C(C)N(CC)C(C)CN1CCC2=C(C(=O)Oc3cc(ccc23)OC)C1	4560
+O1c2c(C(NCC1)=O)ccc(c2)O	5
+c12c(C(C(=O)O)CC1)ccc(c2)O	5
+N(O)=C(CNC(C)=O)c1cccc2ccc(OC)cc12	189
+c1c(N)cc(cc1)N=C2NC(N3C(c4ccc(OC)cc4CC3)=C2)=O	0
+COc1cc2c(cc1)c(Cl)ncc2Br	137
+c1c(c(Cl)c2c(c1)C(C(CCCC)C2)=O)OC	196
+Cc1c(c(N2CCc3c(ccc(OC)c3)C2C)nc(Cl)n1)C	54
+Clc1cnc2n(c1)nc(C(=O)N3CCc4c(ccc(OC)c4)C3C)c2	147
+c1(cc2NC(=O)COc2cc1)N3CC(CC3=O)CNCCN4C(=O)C=Nc5ccc(OC)cc45	110
+COc1cc2c(cc1)c(Cl)ncc2O	8670
+C(NC(C)=O)C(O)c1c2c(ccc(OC)c2)ccc1	68
+O=Cc1c2c(ccc(OC)c2)ccc1	674
+COc1cc2c(cc1)n(cc2CC(=O)O)C	4
+COc1cc2c(cc1)nc(Cl)cc2CCNC(C)=O	68
+c1cc2nc(O)cc(C)c2c(c1OC)Cl	8671
+c1cc(ccc1)CN2CC(Nc3nc4c(cc(OC)cc4)c(c3)C)CC2	554
+C1CN(CCC12OCCO2)CCc3c(OC)cc4cccnc4c3	61
+c12cc(c(cc1CC(CCCC)C2=O)O)F	5
+c12ccc(nc1cc(O)c(c2)F)C	5
+FC(F)(F)Oc1ccc(cc1)N2C(N(C(C)(C)C2=O)Cc3ccnc4ccc(OC)cc34)=O	8672
+c1cc(ccc1)Nc2c3c(nc(Cl)n2)ccc(OC)c3	73
+c1c(c(Br)cc2n[nH]cc12)O	5
+c1ccccc1COC(n2c3cc(c(Cl)cc3nc2-c4ccc(c([N+](=O)[O-])c4)OC)Cl)=O	8673
+COc1ccc(c(CN)c1)Br	107
+C(O)c1cc(OC)ccc1Br	49
+c1(cc(C(c2c(C(O)=O)cc(OC)cc2)=O)ccc1)OC	2227
+O(C)c1cc(cc(OC)c1)C(=O)c2ccc(cc2C(=O)O)OC	1217
+COc1ccc(C(=O)c2cccc(c2)F)c(c1)C(=O)O	1217
+c1cc(ccc1C(=O)c2ccc(cc2C(=O)O)OC)-c3nnn(C)n3	1217
+c1cc(ccc1)C(=O)c2ccc(cc2C(=O)O)OC	2227
+c1cc(ccc1)OCC(=O)c2c(C(=O)O)cc(OC)cc2	586
+C(C(Cl)=O)c1cc(OC)ccc1Br	130
+COc1ccc(CC)c(c1)O	165
+C1(C)=C(C(=O)Oc2cc(ccc12)OC)c3cnc(OC)nc3OC	8674
+COc1ccc(C(N(OC)C)=O)c(C#CCCCCC)c1	8675
+Cc1nnc(c2ccc(OC)cc12)O	8676
+c1(O)nnc(c2ccc(OC)cc12)-c3cc(F)ccc3	1055
+c1cc(ccc1)CC(=O)c2c(cc(cc2)OC)C#CCCCCC	8677
+COc1ccc(c(C#N)c1)CC(=O)O	4
+Cc1cc(ccc1CC(OC)=O)O	5
+c1ccccc1COc2cc(OC)ccc2CC	22
+COc1ccc(CCSC)c([N+]([O-])=O)c1	965
+COc1cnc(cc1)COC(C)=O	174
+COc1ccc(Cl)c(c1)C(=O)O	820
+COc1cc(c(Cl)cc1)-c2cc(F)ccc2	134
+C(Cl)(=O)c1c(Cl)ccc(OC)c1	82
+C1(N(c2cc(ccc2OC1)C(Cc3c(Cl)ccc(OC)c3)=O)C)=O	214
+n1(ncc2c1nc3ccc(OC)cc3c2Cl)CC	4561
+Nc1ccc(OC)cc1C#N	0
+Nc1c(cc(OC)cc1)C(=O)O	0
+CC(C)(O)c1c(ccc(c1)OC)O	1033
+c1cc(ccc1C)C(=O)c2c(cc(cc2)OC)C	358
+c1(c(N)ccc(OC)c1)C	0
+C1OC(CCC1)OCCc2cc(OC)ccc2Br	219
+n1c(NCc2cc(OC)ccc2Br)c(Cl)cnc1Cl	40
+C1(N(c2cc(ccc2OC1)C(Cc3ccc(OC)cc3Cl)=O)C)=O	214
+[N+](c1cc(ccc1Br)O)([O-])=O	5
+O=[N+](c1c(OC)ccc(Br)c1[N+](=O)[O-])[O-]	31
+c1cc(ccc1)-c2c(cc(OC)cc2)[N+]([O-])=O	11
+c1cc(ccc1)-c2c(cc(OC)cc2)[N+]([O-])=O	750
+C1C(Nc2c1ccc(OC)c2)=O	1089
+COc1ccc(CCO)c([N+]([O-])=O)c1	21
+Nc1cc(OC)ccc1O	0
+c1c(c(F)ccc1O)C(=O)O	5
+COc1cc(OCC2CO2)c(cc1)-c3nnc(cc3)Cl	8
+CCOC(=O)C=Cc1c(cc(Oc2cc(OC)ccc2C)cc1)C	46
+c1(ccc(C=C(C(OCC)=O)CCCNC2CCCc3c2cc(cc3)OC)cc1OC)-n4cc(nc4)C	284
+COc1ccc2N(C(CC(CCO)c2c1)=O)C	21
+COc1ccc2N(C(CC(CC(=O)O)c2c1)=O)C	4
+COc1ccc2N(C(CC(CCNC)c2c1)=O)C	110
+COc1ccc2N(C(CC(CC=O)c2c1)=O)C	24
+c12c(OC(C)C(=O)N1)ccc(O)c2	5
+COc1ccc2CC(Cl)c3c(Sc2c1)ccc(SC)c3	4562
+c1ccccc1C(c2cc3c(cc2OC)C(C(OC)=O)CC3)=O	222
+c1ccccc1CN2CC3C(C(=O)c4ccc(OC)cc34)C2	8678
+FC(F)(F)C(=O)c1c[nH]c2cc(OC)ccc12	531
+[nH]1cc(C#N)c2ccc(OC)cc12	4563
+COc1cccc(-c2nc(ccc2CC(=O)O)Cl)c1	4
+c1cc2c(noc2cc1F)-c3cc(ccc3)O	5
+c1cc(ccc1)N=C(N)c2cccc(OC)c2	1748
+COc1cccc(c1N)C=2NCCN=2	2086
+c1(c(c(ccc1)C(=O)C)Br)O	5
+c1cc(ccc1CC(OCC)C(OCC)=O)OCC(=O)c2cccc(c2)OC	702
+Clc1cc(F)c(C#N)c(C(=O)c2cccc(OC)c2)c1	2227
+c1cc(C(=O)NNC(=O)c2cccc(c2)OC)cc(c1)I	1601
+c1(cc(ccc1)OC)-c2nc3n(ccc(c3)Br)n2	8679
+c1cc(ccc1I)C(=O)NNC(=O)c2cc(ccc2)OC	1601
+COc1cccc(C(=O)C)c1Br	1024
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+O=S(=O)(c1cc(c(cc1)Cl)C)N(c2cc(Cl)cnc2C(c3c(cccc3OC)C)=O)COC	4564
+COc1cccc(c1)C(C)(CNC)O	122
+c1c(c(c(cc1)OC)F)CN	817
+Cc1cc(C(c2cc(OCc3cccc(c3)OC)ccc2)=C)ccc1OC	22
+COc1cccc(c1)CCCO	21
+COc1cccc(CCC(N)=O)c1	83
+C(CN)Cc1cc(ccc1)OC	15
+COc1cc2CCN=C(C)c2cc1	1120
+FC(F)(F)c1c(cccc1)S(=O)(=O)Nc2c(nccn2)-c3ccc(cc3)COCc4cc(ccc4)OC	555
+COc1c(CC#N)c(Cl)ccc1	163
+O=S(=O)(Cl)c1c(c(c(OC)cc1)Cl)Cl	243
+COc1c2c(ccc1)[nH]nc2N	575
+c1cc(cc(-n2ncc3c2cccc3)c1)OC	2993
+c1(ccc(NC(C)=O)cc1OC)C(=O)C	94
+c1c(cccc1OCc2c(ccc(Cl)c2)Br)OC	22
+FC(F)(F)C(=O)N1CCc2cc(ccc2CC1)COc3cccc(OC)c3	139
+c1c(cccc1OC)Oc2cc(c(F)cc2[N+]([O-])=O)Br	46
+c1c(cccc1OC)Oc2ccccc2[N+]([O-])=O	415
+c1ccccc1CN2CC3=C(CC2)c4c(cc(cc4)OC)OC3=O	3607
+c1c(cccc1OCC2Cc3c(CC2)cc(cc3)C4CCC5(COC(N5)=O)C4)OC	267
+FC(F)Oc1ncc(CN2C(CCCC2c3c(cccc3OC)OC)=O)cc1Cl	8680
+COc1cccc(OC)c1COc2cccc(CC(O)=O)c2	3
+S(c1cc(ccc1)O)C	5
+COc1cccc([N+]([O-])=O)c1CC#N	163
+c1c(cc(cc1)O)C#CCCCCCC	5
+COc1cccc(C2(C)OC2)c1	4565
+[nH]1c(N)cc(-c2cc(ccc2)OC)n1	1941
+[N-]=[N+]=NCCN1C(=O)C(CC)(c2cc(ccc2)OC)CCCC1	600
+c1cc(ccc1S(=O)(=O)C[N+]#CC2C(CCCC2)Cc3cccc(OC)c3)C	1141
+COc1cccc(c1)CCCC#N	1409
+COc1cccc(c1)CCCI	343
+FC(F)(F)C(N1CCC(CC1)C(=O)NCCc2cc(OC)ccc2)=O	68
+FC(F)(F)C(NCCc1cccc(c1)OC)=O	659
+COc1cccc(CCNC(C)=O)c1	68
+c1cc(ccc1)C(=O)NCCc2cccc(c2)OC	93
+c1c(cc(cc1)OC)CCNC(c2cc(cc(c2)-c3ccccc3OC)-n4nnnc4)=O	14
+c1cc(ccc1)C(CCc2cccc(OC)c2)O	758
+C(c1cc(ccc1)OC)OCCO	555
+c1cc(ccc1OCc2cccc(OC)c2)Cc3noc(c3)-c4ccc(N)nc4N	139
+c1cc(ccc1)OCc2nc3c(cccc3)n2Cc4cc(ccc4)OC	1947
+c1cc(ccc1)N(c2ccccc2)C(CNC(Nc3cccc(c3)OC)=O)=O	1631
+c1c(OC)ccc2c(-c3cnccc3)csc12	8681
+COc1cccc(C(N(OC)C)=O)c1Br	280
+c1c(c(c(cc1)OC)C)CC[N+](=O)[O-]	364
+FC(F)(F)c1oc2cccc(c2n1)OC	8682
+c1cc(ccc1F)OC2CCN(CC2)CCCn3cc(c4cccc(OC)c34)C(C)=O	53
+COc1c2c(ccc1[N+]([O-])=O)CC(CCC2)=O	31
+c12c(c(ccc1)OC)nccc2Cl	120
+c1c(OC)c2c(c(c1)C=O)cc(C)o2	3809
+c1cc(ccc1)CN(CC)C(C2c3c4c(cccc4OC)n(CCF)c3CCC2)=O	58
+c12cccc(c1nc(C)s2)O	390
+c1ccc(O)c2cnsc12	5
+[n+]1(c(C)ccc(OC)c1)[O-]	341
+COc1cnc(cc1)Nc2ccn(C)n2	834
+COc1cnc2ccc(F)c(c2n1)CC#N	1689
+c1cc(ccc1C)S(=O)(=O)OCCc2cccc(n2)OC	36
+COc1nc(ccc1)CCl	515
+FC(F)(F)c1cccc(-c2cc(C)c(C(OC)=O)c(OC)n2)c1	140
+c1cc(ccc1Cc2cc(-c3cccnc3N)on2)OCc4nc(OC)ccc4	412
+c1c(F)nc(c(F)c1)O	104
+n1c(SC)nc(Cl)c(c1OC)I	1154
+c1cc(ccc1I)Oc2nc(OC)cc(n2)OC	893
+c1(OC)nc(nc(OC)n1)Oc2c(c(Cl)ccc2)C(=O)Oc3ccc(cc3)[N+](=O)[O-]	852
+c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O	61
+COc1nc2c(-c3ccc(CC#N)cn3)ccnc2cc1	1689
+COc1nc2c(-c3ccc(CCN)cn3)ccnc2cc1	51
+COc1nc2c(-c3ccc(CCNCc4ccc5c(n4)NC(=O)CS5)cn3)ccnc2cc1	294
+Oc1nc2c(C(NCC2)=O)cc1	104
+C1CCCOC1CCn2c(OC)nc3c2nc(nc3N)NCCCC	8683
+c12cc(-c3cnccc3)ccc1nc(O)cc2	104
+FC(F)(F)C(NCC1CCCN(C1)CCc2c3nc(ccc3ncc2)OC)=O	4566
+c1(ccc2c(n1)NC(=O)CS2)CN(C(=O)C3OCCN(CCc4ccnc5c4nc(OC)cc5)C3)C	4566
+COc1nc2c(nccc2CCN3CCOC(C3)CNCc4ccc5c(n4)NC(=O)CS5)cc1	294
+O(C)c1nccc(C(=O)NN)c1	296
+n1ccc(cc1O)NC(c2cc(ccc2F)F)=O	104
+C(c1ccc(-c2cc(nn2-c3nnc(OC)cc3)C(=O)N(C)CC)nc1)N	388
+COc1nnc(-n2nc(cc2-c3ccc(cn3)C#N)C(=O)O)cc1	1
+c1(-c2cn3c(n2)ccc(OC)n3)cc([N+]([O-])=O)c(C)cc1	1749
+O=S(=O)(c1cc(c2c(c1)OC(CO2)CO)F)C	4567
+O=S(=O)(c1cc2OC(COc2cc1)CO)C	4567
+C[Si](C)(C)c1ccc(cc1)C(C(=O)c2cc(ccc2)Br)=O	4568
+C[Si](C)(C)c1cc(C(C(=O)c2cc(ccc2)Br)=O)ccc1	4568
+FC(F)(F)C1(CC(C)(C)c2c(C=O)cccc2)OC1	2492
+O=Cc1ccc(cc1F)-c2cc(ccc2)OC	2492
+c1cc(ccc1)-c2c(CN)c(nc3ccc(C(=O)N)cc23)CC(C)C	8684
+c1cc(ccc1OCC2(OC2)c3ccc(Br)s3)Cl	8685
+c1ccccc1CCOCCCN2CCC3(CC2)CO3	1626
+FC(F)(F)c1cccc(-c2nc3ccc(S(=O)(=O)C)cc3c(c2C)C(=O)OC)c1	2994
+O=S(=O)(C)c1ccc(c(Cl)c1)C=O	2964
+O=S(=O)(c1c(cc(cc1)[N+]([O-])=O)F)C	2964
+O=S(=O)(c1ccc(c(C=O)c1)O)C	2994
+O=S(=O)(c1ccc2c(c1)C(=O)N(C(CC)=N2)C)C	2994
+c1cc(ccc1-n2ncc(c2C)C(=O)NC(c3cncc(c3)S(=O)(=O)C)CCC)Cl	8686
+O=S(=O)(c1c(c(ccc1)-c2ccncc2)-c3ccc(cc3)OCc4ccccc4)C	8687
+c1(c(N)c(cc(c1F)F)Br)CSC	4569
+c1c(c(N)c(cc1F)CSC)F	4569
+C1CC1(C2(CCc3ccc(cc3)Cl)OC2)Sc4ccccc4	8688
+Clc1cc(NC(SC)=C(C(N)=O)C#N)ccc1	8689
+C(SC)CNCCSC	15
+FC(F)(F)c1cc(c(c(OC)c1)C(O)=O)SC	1884
+S(C)c1cc(ccc1Br)F	2869
+S(c1cc(ccc1C)F)C	1850
+c1(cc2ccc(cc2cc1)SC)OC	1850
+c1c(c(c(cc1F)Br)SC)F	2869
+c1c2c(ccc1)cc(SC)c(c2)OC	1884
+c1ccccc1COc2c(c(cc(C=O)c2)SC)O	1850
+c12cc(SC)ccc1nc[nH]2	631
+c1(c(C#N)c(S(=O)C)nc(n1)N)SC	1056
+CC(c1c(nc2c(c1)cc(Cl)c(OC)c2)OC)O	8690
+CC(C)(c1cc(F)c(cc1)C#N)O	2929
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(=O)C	2830
+c1cc(ccc1C(c2ccc(cc2)Cl)N3CC(C3)C(C(C)O)c4cc(F)cc(c4)F)Cl	8691
+c1cc(ccc1C(c2ccc(cc2)Cl)N3CC(C3)C(C(C)(C)O)c4cc(F)cc(c4)F)Cl	8692
+c1cc(ccc1F)C2C(c3ccc(cc3)I)Oc4c(C2(O)C)ccc(c4)OC5CCCCO5	2929
+c1cc(ccc1OC)CN2CC(CC2=O)C(C)=O	2830
+N1(C(=O)N(c2ccc(C)cc12)Cc3c4c(C)cccc4n(c3)C)C(CCC)CC(OCC)=O	8693
+Clc1cc(Br)cc(Oc2c(Cl)ccc(N)c2[N+]([O-])=O)c1	8694
+Cc1n(nc2ccc(cc12)Br)C	2369
+[N+](c1cc(Br)c2nn(C)cc2c1)([O-])=O	2369
+CP(C)(c1cc(c(cc1)OC)N)=O	4570
+c1cc(ccc1P(C)(C)=O)Br	4570
+FC(F)(C1(CO1)c2c(cc(cc2)F)F)c3ncc(Br)cc3	4565
+c1cc(F)c(cc1C2C(C2)C(OCC)=O)Br	8695
+c1c(F)c(c(cc1[N+](=O)[O-])F)N2CCC3(CC2)OC3	2113
+c1cc(ccc1)CN2CCC3(CC2)CO3	2113
+c1cc(ccc1C2C(C(N(OC)C)=O)C2)Cl	3252
+c1c(cc(cc1)Br)C2(c3cccc(c3)Br)OC2	8696
+c1cc(ccc1C2CO2)C	8697
+Clc1cc(cc(Cl)c1-n2cc3c(n2)c(cnc3Br)F)[N+]([O-])=O	8698
+c1c(Cl)c(c(cc1C)Cl)OCCOc2ccc(cc2)CBr	8699
+C[Si](C)(C)CCOCn1c(-c2c(C#C[Si](C)(C)C)cnc(n2)N)cc(C(OCC)=O)c1-c3cc(Cl)ccc3C	2995
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2c(F)c(c(cc2)Cl)Oc3cc(cc(C#C[Si](C)(C)C)c3)Cl)=O)Cl	263
+C[Si](C)(C)CCOCn1c2ccc(C#C[Si](C)(C)C)cc2cn1	263
+C[Si](C)(C)C#Cc1cc(c(nc1)SC)Cl	683
+C[Si](C)(C)C#Cc1cc(OC(C)c2c(ccc(F)c2Cl)Cl)c(nc1)N	683
+C[Si](C)(C)C#Cc1cnc(C(F)(F)C2(CO2)c3c(cc(cc3)F)F)cc1	683
+C[Si](C)(C)C#Cc1ccc2c3c(c(cnc3NC(C(F)(F)F)C4CC4)C(=O)N)[nH]c2c1	8700
+C[Si](C)(C)C#Cc1cn(nc1)CC(F)(F)F	8701
+C[Si](C)(C)C#Cc1c(C)cc(cc1)C(CC)(CC)c2cc(C)c(C(OC)=O)cc2	2823
+FC(F)(F)c1c(C#N)ccc(c1C#C[Si](C)(C)C)F	311
+FC(F)(F)c1cc(c(C#C[Si](C)(C)C)c(Br)c1)N	311
+C[Si](C)(C)C#Cc1cc(C)c(OC(F)F)cc1	263
+C[Si](C)(C)C#Cc1cc(OCc2c(F)cccc2F)c3nc(C)c(C(=O)OCC)n3c1	683
+C[Si](C)(C)C#Cc1c(cccc1)NC(=O)N	311
+C[Si](C)(C)C#Cc1cc(nc(c1O)Cl)CO	8702
+C[Si](C)(C)C#Cc1c(C#N)ncc(Cl)c1	683
+C[Si](C)(C)C#Cc1c(nccc1)N	683
+C[Si](C)(C)C#Cc1c(C)c(C#N)c(N)nc1	1042
+C[Si](C)(C)C#Cc1c(N)c(C(=O)OC)c2c(c1)cn[nH]2	263
+C[Si](C)(C)C#Cc1c(N)ccc(n1)C	961
+C[Si](C)(C)C#Cc1cc(cnc1N)Cl	1042
+C[Si](C)(C)C#Cc1c(nccc1)N	1042
+C[Si](C)(C)C#Cc1ccccc1CC(OC)=O	311
+C[Si](C)(C)C#Cc1cc(Nc2ncc(c(Nc3ccccc3S(=O)(=O)C(C)C)n2)C)c(OC(C)C)cc1C	263
+C[Si](C)(C)C#Cc1ccc(S(=O)(=O)NC(C(=O)O)Cc2c[nH]c3c2cccc3)s1	8703
+C[Si](C)(C)c1cn(-c2cc(OCC(=O)O)ccc2)nn1	8704
+C[Si](C)(C)C#Cc1c(C(CC)C(=O)N)cccc1	311
+C[Si](C)(C)C#Cc1cc(c(cc1N)F)Br	311
+C[Si](C)(C)C#Cc1ccc(cc1F)N2CC(Cn3nnc(C)c3)OC2=O	311
+C[Si](C)(C)C#Cc1c(nc(Nc2cccc(F)c2)nc1)NCCC	2995
+C[Si](C)(C)C#Cc1c(N)nc(-c2ccco2)c(c1)-c3ncncc3	683
+C[Si](C)(C)C#Cc1c(nc(N)cc1)N	1042
+C[Si](C)(C)C#Cc1c(Cl)c(ccc1F)C#N	311
+C[Si](C)(C)C#Cc1cc2ccc(cc2cc1)O	263
+C[Si](C)(C)C#Cc1cncc(C#N)c1	683
+C[Si](C)(C)C#Cc1cnc2c(c(Nc3c(F)cc(cc3)C)c(cn12)C(=O)OC)F	4571
+C[Si](C)(C)C#Cc1cc(C)c(c(c1)C)OCc2ccccc2	263
+C[Si](C)(C)C#Cc1ccc(C)cn1	961
+C[Si](C)(C)C#Cc1cc(c(cc1)Nc2c(cnc(c2)O)C(=O)NCCO)F	311
+C1(=O)N2CCCC2=C(C(NOCCO)=O)C(=C1F)Nc3c(cc(cc3)C#C)F	2228
+C[Si](C)(C)C#Cc1cn2c(nc(C(=O)OCC)c2)cc1	1042
+C[Si](C)(C)C#Cc1nc(C#N)c(N)cc1	8705
+C[Si](C)(C)C#Cc1cc(CCCC#N)c(F)cc1	263
+C[Si](C)(C)C#Cc1cc(NNC(OC)=O)c(cc1)Cl	263
+C[Si](C)(C)C#Cc1ccc(F)cc1CC(N)=O	263
+C[Si](C)(C)C#Cc1ccc(Br)nc1	1042
+C[Si](C)(C)C#Cc1ccc(c(c1)CNC(OC)=O)Cl	311
+C[Si](C)(C)C#Cc1ccc(cc1)-c2ccnn2-c3ccncc3	263
+C[Si](C)(C)C#Cc1ccc(cc1)OCCN(CC)CC	263
+C[Si](C)(C)C#Cc1ccc(cc1)C(OCC)=O	263
+C[Si](C)(C)C#Cc1ccc(cc1)C(C)C(NCC)=O	311
+C[Si](C)(C)C#Cc1ccc(cc1)CN(C)C	311
+C[Si](C)(C)C#Cc1ccc(cc1)CO	263
+C[Si](C)(C)C#Cc1cnc2n1cc(cc2C)-c3ccc(cc3)Cl	4571
+c1cc(ccc1F)-n2ccc3c2ccc(C#C)c3	1800
+C[Si](C)(C)C#Cc1ccc(cc1)CCC(=O)OC	311
+C[Si](C)(C)C#Cc1ccc(cc1)N2C(N=C(c3c(F)cccc3Cl)N2)=O	8706
+C[Si](C)(C)C#Cc1ccc(cc1)OC2OCCCC2	311
+C[Si](C)(C)C#Cc1ccc(N)nc1	683
+C[Si](C)(C)C#Cc1cc2C(c3cc(ccc3-c2cc1)C#N)=O	263
+C[Si](C)(C)C#Cc1c(cccc1)C(C(=O)N)C	311
+c1ccccc1C(c2ccccc2)(c3ccc(cc3)OC)OCC4C(O)CC(N5C=C(C#C[Si](C)(C)C)C(NC5=O)=O)O4	3589
+C[Si](C)(C)C#Cc1c(CC)ncnc1NC2CCC(CC2)c3ccccc3	2995
+c1ccccc1CNC(=O)c2c(C)nc(s2)C#C	4482
+C[Si](C)(C)C#Cc1cc(c(OCc2ccccc2)nn1)OCc3ccccc3	8707
+C[Si](C)(C)C#Cc1c(ncc(c1)C(=O)N=S(c2ccccc2)(C)=O)N	1042
+C[Si](C)(C)C#Cc1cncc(C(N=S(c2ccccc2)(=O)C)=O)c1	683
+C[Si](C)(C)C#Cc1cnc(nc1)N2CC(NCc3c(Cl)cc(cc3)Cl)CC2	8708
+FC(F)(F)C(O)(C#C)CC	1407
+CN(C)c1ccc(cc1)C(C#C)O	1407
+c1cc(ccc1)C#Cc2ccccc2C(C#C)OC	1407
+c1cc(ccc1-n2nnnc2)CC(=O)N3CCC(CC3)(C#C)O	1407
+C[Si](C)(C)C#CC1(CCN(CC1)C(=O)Cc2ccc(cc2)-n3nnnc3)O	731
+C1(NC=C(C(N1)=O)C#C)=O	4572
+C[Si](C)(C)c1c(C2CCCCC2)c3c(ncc(c3)C(OC)=O)[nH]1	8709
+C[Si](C)(C)C#CCCCCC(=O)c1ncc(-c2ncccc2)o1	8710
+c1(cnc(C(CCCCC#C)=O)o1)-c2ncccc2	1407
+C[Si](C)(C)C#CCCNC(c1cccc(c1)Cc2cc(F)ccc2)=O	14
+C[Si](C)(C)C#CCCN	18
+C[Si](C)(C)c1[nH]c2c(cc(Cl)cc2c1CCNC(c3cc(ccc3)Cc4cc(F)ccc4)=O)Cl	4238
+C(C(c1ccccc1C#C)C)(=O)OC	75
+NC(C(c1c(cccc1)C#C)CC)=O	75
+C#Cc1c(c(C#N)c(N)nc1)C	75
+C(C)C(CC)(c1ccc(C(OC)=O)c(C)c1)c2cc(c(cc2)C#C)C	75
+c1(c(C#C)ccnc1)C	75
+c1ccccc1C2CCC(CC2)Nc3c(c(ncn3)CC)C#C	75
+C(C(n1ccc2c(c(ccc12)C#N)Cl)C)SC	4573
+C1C(CN1Cc2cc(F)c(cc2)C#C)C(OC)=O	75
+C#Cc1c(N)c(c2n[nH]cc2c1)C(=O)OC	75
+Nc1c(nc(C)cc1)C#C	75
+CC(C)N1C(=O)C=CC(=N1)c2nc(C#C)c(nc2-c3ccccc3)N	75
+C(C)N(CC)N=Nc1c(C#C)c(cc(C(OC)=O)c1-c2cc(ccc2)F)Cl	75
+CC(C)c1c(cc(c(c1)OC)C#C)Oc2cnc(nc2N)N	75
+C(=O)(C(c1ccccc1C#C)C)N	75
+c1c(c(C#C)ccc1)NC(=O)N	75
+C(#C)c1c(nc(cc1)N)N	75
+C(#C)c1cnc(nc1NCCC)Nc2cccc(c2)F	75
+c1ccccc1S(C)(=NC(=O)c2cnc(c(C#C)c2)N)=O	75
+C#Cc1cccnc1N	75
+c1ccccc1-c2c3c(C#C)nc(c(O)c3on2)C(OCC)=O	75
+N1(c2ccc(F)cc2F)C=C(C(=O)OCC)C(=O)c3cc(c(F)c(C#C)c13)F	75
+CCN(CC)C1CN(CC1)C(c2[nH]nc(-c3cc(ccc3)C#C)c2C)=O	75
+c1c2c(ccc1)CC(C2)Nc3nc4CCN(C(c5cncc(c5)C#C)=O)Cc4cn3	75
+CC(C)(C)OC(c1cc(C#C)ccc1)=O	75
+CC(C)(C)c1c(C2(CC2)OCC)ccc(c1)C#C	75
+FC(F)Oc1ccc(C#C)cc1C	75
+c1c(C)c(c(cc1C#C)C)OCc2ccccc2	75
+C1CC1c2cc(cc3C(C)(C)CC(C)(C)Oc23)C#C	75
+c1c(CCCC#N)c(F)ccc1C#C	75
+c1(Cl)ccc(cc1NNC(OC)=O)C#C	75
+CC(C)Oc1cc(c(C#C)cc1Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c(C)cn2)C	75
+CC1(C)c2cc(C#C)cc(c2C(=O)CC1)OC(C)C	75
+c1c(c(ncc1C#C)N)OC(C)c2c(Cl)ccc(F)c2Cl	75
+Fc1cccc(F)c1COc2c3n(c(C(=O)OCC)c(n3)C)cc(C#C)c2	75
+C1CC1N(C)Cc2c(C(=O)OC(C)C)ccc(c2)C#C	75
+C1C(C)OC(CN1c2c(c(c(cc2C=O)C#C)F)F)C	75
+CC(C)Oc1c(cc(cc1)C#C)C(OC)=O	75
+c1ccccc1COc2cc(C#C)nnc2OCc3ccccc3	75
+CC(C)(C)OC(Nc1c(cc(C#C)cc1)[N+](=O)[O-])=O	75
+C(NCCO)(c1c(Nc2c(cc(cc2)C#C)F)cc(O)nc1)=O	75
+c1(F)c(cc2cc[nH]c2c1)Br	4574
+C#Cc1cc(Cl)c(SC)nc1	75
+C1CC1c2c3OC4(CC4)CC(C)(C)c3cc(c2)C#C	75
+C[Si](C)(C)C#Cc1cc(cc(Cl)c1)S(=O)(=O)N(c2cc3c4ccccc4n(CC)c3cc2)CC(=O)O	32
+O=S(=O)(N(CC(=O)O)c1cc2c3ccccc3n(CC)c2cc1)c4cc(Cl)cc(C#C)c4	75
+C(OCOc1cccc(c1)C#C)COC	75
+C#Cc1cc(Cl)cnc1N	75
+CC1(C)CC(C)(C)c2c(O1)c(cc(c2)C#C)C=O	75
+CC1(C)c2cc(cc(O)c2C(=O)CC1)C#C	75
+C(#C)c1cc2C(c3c(ccc(C#N)c3)-c2cc1)=O	75
+CN(C)C(c1nn(-c2ccnc(N)n2)c3cc(ccc13)C#C)=O	75
+C1CN(CCC1Cn2c3c(cc(cc3)C#C)cc2)C(CCc4ccccc4)=O	75
+C[Si](C)(C)C#Cc1ncc2ncc(C#N)c(c2c1)Cl	120
+c1(cc(Nc2c3cc(ncc3ncc2C#N)C#C)ccc1)Br	75
+c1c2c(cc(C#C)c1)ccc(c2)O	75
+c1nc(ccc1C)C#C	75
+c1cc(cnc1Cl)C#C	75
+C(#C)c1ccc(cc1CC(N)=O)F	75
+n1c(ccc(c1)C#C)N	75
+C12CCCC1N(C)C(=O)N2c3ccc(C#Cc4cccc(c4)F)cn3	2228
+O=S(=O)(NC(C(=O)O)Cc1c[nH]c2c1cccc2)c3ccc(s3)C#C	75
+c1c(c(Cl)ccc1C#C)CNC(OC)=O	75
+c1cc(ccc1C#C)-c2ccnn2-c3ccncc3	75
+c1cc(ccc1C#C)C(C)C(NCC)=O	75
+c1cc(ccc1C#C)C(OCC)=O	75
+c1cc(ccc1)CNC2(CC2)c3ccc(cc3)C#C	75
+N#CC(C#N)=C1C(C#N)=C(c2ccc(cc2)C#C)C(C)(C)O1	75
+c1cc(ccc1CCC(=O)OC)C#C	75
+c1cc(ccc1C#C)CN(C)C	75
+c1cc(ccc1C#C)CO	75
+c1cc(ccc1N(CC)CC)C#C	75
+C(CCC)N(CCCC)c1ccc(cc1)C#C	75
+c1cc(ccc1N2C(N=C(c3c(F)cccc3Cl)N2)=O)C#C	75
+c1cc(ccc1C#C)OC2OCCCC2	75
+c1cc(ccc1C#C)OCCCCCC	75
+c1cc(ccc1C#C)OCCN(CC)CC	75
+c1cc(ccc1OCCN2CCCC2)C#C	75
+c1cc(ccc1C#C)OCCO	75
+C[Si](C)(C)c1ccc(cc1)C#C	75
+c1(N2CC(OC2=O)Cn3cc(C)nn3)ccc(C#C)c(F)c1	75
+C1CC1COc2ccc(nc2)C#C	75
+CC1(C)CN(c2ccc(C#Cc3cc(cnc3)F)cn2)C(C1)=O	8711
+C1CC1CNc2ncc(cc2)C#C	75
+CC1(C)c2c(ccc(C#C)c2)OC(C1)=O	75
+FC(F)(F)C(Nc1ncc(c2[nH]c3c(ccc(C#C)c3)c12)C(=O)N)C4CC4	75
+FC(F)(F)c1c2nn(c(-c3cc(ccc3)C#C)c2ccc1)Cc4c(cc(cc4F)F)F	75
+C[Si](C)(C)C#Cc1cccc(c1)-c2c(nccc2)F	305
+c1c(cccc1C#N)C#C	75
+CC(C)OC(c1cccc(C#C)c1)=O	75
+CCOC(=O)c1cccc(c1)C#C	75
+c1ccc(-c2cccnc2F)cc1C#C	75
+C[Si](C)(C)c1[nH]c2c(cc(Cl)cc2c1-c3ccccc3)[N+](=O)[O-]	8712
+C1CC1(C(=O)N)c2ccccc2C#C	75
+c1(ccccc1CC(OC)=O)C#C	75
+C(#Cc1ccccc1N)c2c(OC)cc(c(c2)C=O)OC	2228
+FC(F)(F)Cn1ncc(C#C)c1	75
+C(C)OC(c1nc2n(c1)cc(cc2)C#C)=O	75
+CC(C)(C)OC(N1CCN(CC1)c2ccc(C#C)cn2)=O	75
+C1c2c(CC1Nc3nc4CCN(C(=O)c5ncc(cc5)C#C)Cc4cn3)cccc2	75
+n1cc(cnc1N2CC(NCc3c(Cl)cc(cc3)Cl)CC2)C#C	75
+c1c(C(=O)OC)c(c(c2n1c(C#C)cn2)F)Nc3c(F)cc(C)cc3	75
+n1cc(cc(C#N)c1)C#C	75
+c1c(C=O)c(ccc1C#Cc2cc(C#N)cnc2)F	2228
+c1ccccc1S(=O)(C)=NC(=O)c2cncc(c2)C#C	75
+C(#C)c1c2n(cc(-c3cnn(C)c3)cc2OC)nc1	75
+C#Cc1n2c(cccn2)nc1	75
+n1c(c(N)ccc1C#C)C#N	75
+C1CCN(C1)c2nc(ccc2)C#C	75
+O(CC)C(OCC)c1cnc(C#C)cc1	75
+CC(C)(O)c1cnc(cc1)C#C	75
+C[Si](C)(C)C#Cc1cc2c(ncc(c2Nc3cccc(Br)c3)C#N)cn1	179
+C1CCCN1c2nc(C#C)nn2C	75
+C1(=CC(=C([N+](C1=C=[N-])=O)Cl)C(=O)OC)Cl	8713
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2C(c3ccc(cc3)F)C=4C=CC(=C=[N-])[N+](C=4CC2)=O)C	8714
+FC(F)(F)C1=CC(=C=[N-])[N+](C(Cl)=C1)=O	8715
+c1(Nc2cc(Cl)c(F)cc2)c(oc3c1ccnc3CCC)N	8716
+O(CC)P(OCC)(=O)CC=1C=C[N+](=O)C(=C=[N-])C=1	1269
+CCOP(OCC)(CC=1c2ccccc2[N+](C(=C=[N-])C=1)=O)=O	8717
+C1(C=CC=C([N+]1=O)COC2CCOC2)=C=[N-]	1649
+O1CCc2c3n(ncc3CC#N)ccc12	8718
+c1c(cc(Br)cn1)NC(c2c(cccc2)Cl)C#N	4575
+O=S(=O)(c1cc2CCC=C(c2cc1)C#N)c3ccccc3	4576
+[N-]=[N+]=NCC1=CC=C(C)[N+](=O)C1=C=[N-]	8719
+c1c(F)c(ccc1F)C(Cn2ncnc2)(C(C)C3=C[N+](=O)C(C=C3)=C=[N-])O	8720
+c1c(F)c(ccc1F)C(Cn2ncnc2)(O)C(C)C=3[N+](=O)C(C=CC=3)=C=[N-]	1649
+c1cc(ccc1)CN2CCC(CC2)(Nc3cc(C)ccc3)C#N	1345
+c1c(OC)c(cc(C2=C(C=CC([N+]2=O)=C=[N-])C)c1)F	8721
+c1c(F)c(ccc1F)C(Cn2ncnc2)(C(C)C=3C=C[N+](=O)C(C=3)=C=[N-])O	1269
+C1(C=C(C=C[N+]1=O)CCC)=C=[N-]	1269
+c1cc(ccc1)C2Cc3c(c(OC)ccc3C(C#N)=C2)OC	4576
+c1ccccc1C2CC(c3ccc(OC)c(OC)c3C2)(O)CN	4577
+c1cc(ccc1Cl)NC2(CCN(CC2)Cc3ccccc3)C#N	1345
+c1cc(ccc1)CN2CCC(CC2)(Nc3ccc(cc3)F)C#N	1345
+c1cc(ccc1-c2onc3-c4c(CCc23)cc(cc4)C(O)C#N)CCC	8722
+c1cc(ccc1Cl)C(C#N)Nc2ccc(cc2)Br	8723
+c1cc(ccc1F)C(N2C(C#N)C=Cc3c2cccc3)=O	8724
+c1cc(ccc1C)C(Nc2cc(Br)cnc2)C#N	4575
+c1cc(ccc1Cl)CC=2[N+](=O)C(=C=[N-])C=CC=2	1649
+O=S(=O)(c1ccc(cc1)NC(c2cc(C)cc(C)c2)C#N)N	8725
+c1cc(ccc1)C2Cc3c(OC)cccc3C(CN)(C2)O	4577
+FC(F)(F)c1ccc2N(C(=O)OCC)C(CC)CN(c2c1)C(c3nn(C)nn3)c4cc(Cl)c(cc4)Cl	8726
+FC(F)(F)c1ccc(cc1)CC(C=[N+]=[N-])=O	1945
+c1cc(ccc1CC(C=[N+]=[N-])=O)I	1945
+C[Si](C)(C)CC(C(O)=O)NC(c1cc(ccc1)I)=O	3
+C[Si](C)(C)CC(C(=O)NC1(CC1)C#N)NC(c2cccc(-c3cccc(C#N)c3)c2)=O	134
+C[Si](C)(C)CC=CCC(O)CCc1ccccc1	8727
+C[Si](C)(C)CCOC(C(CC)c1c(I)cccc1)=O	27
+C[Si](C)(C)CCOC(=O)c1cccc(S(=O)(=O)Cl)c1	279
+C[Si](C)(C)CCOC(C(Cc1c2c(c(cc1)[N+](=O)[O-])cccc2)NC(OC)=O)=O	27
+C[Si](C)(C)CCOC(=O)C(NC(OC)=O)Cc1c2ccccc2c(Nc3c(C(O)=O)cccc3)cc1	8728
+FC(F)(F)c1cccc(N2C(N)=C(C(N)=O)C(C(C(OCC[Si](C)(C)C)=O)=C2C)c3ccc(cc3)C#N)c1	8729
+C[Si](C)(C)CCOC(=O)C=C(C)Nc1cccc(c1)C(F)(F)F	3497
+C[Si](C)(C)CCOC(=O)N1CC(=O)CC1C(=O)OC	86
+C[Si](C)(C)CCOC(=O)N1CC(c2cc3cc(C=C)ccc3cc2)(CC1C(OC)=O)O	251
+O=S(=O)(N(C1CCC(CC1)C(=O)OC)C(C)C)c2cc(ccc2)C(=O)O	8730
+C[Si](C)(C)CCOC(=O)C(c1c(CCC(=O)c2cccc(C=Cc3nc4c(ccc(Cl)c4)cc3)c2)cccc1)CC	4578
+C[Si](C)(C)CCOC(=O)C(Cc1ccc(N)c2ccccc12)NC(OC)=O	0
+C[Si](C)(C)CCOC(N1CC(C(CC1)c2ccc(cc2)F)OCc3cc4c(cccc4)c(OCOCC[Si](C)(C)C)c3)=O	66
+C[Si](C)(C)CCOCn1cc(c2c1ncc(Br)n2)C(NCC(C)(C)COCOCC[Si](C)(C)C)=O	433
+C[Si](C)(C)CCOCn1c(nc2ccccc12)Cl	1544
+C[Si](C)(C)CCOCOc1ccc(C#N)c(c1)Cl	175
+C[Si](C)(C)CCOCn1c(-c2cc(Cl)ccc2C)c(cc1-c3ccnc(n3)N)C(OCC)=O	2481
+C[Si](C)(C)CCOCn1cc(nc1-c2ncc(Br)cc2Cl)C(F)(F)F	1073
+FC(F)(F)c1cn(COCC[Si](C)(C)C)cn1	1073
+C[Si](C)(C)CCOCn1cnc2c(ncnc12)I	8731
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)I	1750
+C[Si](C)(C)CCOCn1ccc(-c2nc3ccc(c(c3cc2)N)Cl)n1	1428
+C[Si](C)(C)CCOCOc1c(OC)cc(Br)cc1C=O	175
+C[Si](C)(C)CCOCn1ccc2c(Cl)nc(nc12)Cl	1750
+C[Si](C)(C)CCOCn1cc(c2c(nc(nc12)Cl)Cl)I	1750
+C[Si](C)(C)CCOCn1cc(c2c1nc(Cl)nc2Cl)F	1750
+C[Si](C)(C)CCOCn1nc(I)c2cc(C=O)ccc12	1433
+C[Si](C)(C)CCOCn1c2ccc(cc2c(n1)C(=O)N(OC)C)[N+](=O)[O-]	1433
+C[Si](C)(C)CCOCn1ncc2c1ccc([N+]([O-])=O)c2	1433
+C[Si](C)(C)CCOCn1cc(nc1)C(=O)OC	1073
+C[Si](C)(C)CCOCn1cc(C(OCC)=O)c2c(ncnc12)-c3cc(ccc3)[N+]([O-])=O	1750
+C[Si](C)(C)CCOCn1c(Br)nc(Br)c1Br	1073
+C[Si](C)(C)CCOCn1cnc2cc(Br)ccc12	1544
+C[Si](C)(C)CCOCn1nnc2cnc(Cl)cc12	8732
+C[Si](C)(C)CCOCn1nc(c2c1ccc(c2)Br)C=O	1433
+C[Si](C)(C)CCOCn1c2c(cc(C#N)nc2)c3cc(Br)cnc13	4579
+C[Si](C)(C)CCOCn1c2cnc(Cl)c(c2c3cccnc13)F	4579
+C[Si](C)(C)CCOCOc1c(Br)cc(cc1)CC(O)C(OC)=O	175
+C[Si](C)(C)CCOCn1ncc2cc(ccc12)Br	1433
+C[Si](C)(C)CCOCn1c2ccc(Br)cc2cc1	3374
+C[Si](C)(C)CCOCn1nc(c2c1-c3c(scc3)C2)-c4ccc(cc4)Br	1428
+C[Si](C)(C)CCOCOc1ccc(cc1)C#N	175
+C[Si](C)(C)CCOCn1nc(-c2ccc(cc2)OC)c3Cc4sc(cc4-c13)Br	1428
+C[Si](C)(C)CCOCn1c(C(c2ccc(cc2)[N+](=O)[O-])=O)ccc1	2481
+C[Si](C)(C)CCOCn1cc(c(-c2cc(C#N)ccc2)n1)-c3ccncc3	1428
+c1ccccc1CN(Cc2ccccc2)C3CC(c4cnc5n4c6c(n(cc6)COCC[Si](C)(C)C)nc5)C(C)C3	8733
+c1ccccc1CN(Cc2ccccc2)CC(c3cc(NC=O)c(OCOCC[Si](C)(C)C)cc3)O	175
+C[Si](C)(C)CCOCn1nc(I)c2cc([N+](=O)[O-])ccc12	1433
+C[Si](C)(C)CCOCn1nccc1	1428
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2nccc2nc(C(C)=NO)c1	1213
+C1COCCN1Cc2cc(n3ncc(-c4cnc5ccccc5c4)c3n2)N	8734
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(nc2n1ncc2)C(N)C	8735
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2ncc(I)c2nc(C(C)NC3CCOCC3)c1	1390
+C[Si](C)(C)CCOCN1C(C(=C(c2c(cc(cc2)O)C)N(C)C1=O)C)=O	16
+C[Si](C)(C)CCOCN1c2c(nc(Nc3c(nccc3)OC)nc2)N(C4CCOCC4)C1=O	949
+C[Si](C)(C)CCOCN1C(=O)C(=C(c2c(cc(cc2)OCc3ccccc3)C)N(C)C1=O)C	4580
+C[Si](C)(C)CCOCN1C(=O)C(CCC1)(CC#Cc2nc(cc(-c3cc(OCC)ccc3F)n2)C)NC(OC(C)(C)C)=O	1467
+C[Si](C)(C)CCOCN1C(c2c(ccc(c2)NS(=O)(=O)c3ccccc3)N=C1n4ncc(C(OCC)=O)c4)=O	69
+C[Si](C)(C)CCOCN1C(c2c(N=C1n3ncc(C(OCC)=O)c3)ccc(N)c2)=O	0
+C1COCCC1N2C(=O)Nc3cnc(nc23)Nc4c(nccc4)OC	8736
+C[Si](C)(C)CCOCOC(C)(C)COc1c(OC)cc(N)cc1	0
+C[Si](C)(C)CCOCOC(C)(C)c1cnc(cc1)C2(CCN(CC2)c3nnc(c(C)c3C)Cc4ccccc4)O	938
+c1ccccc1COc2c(Br)c(O)cc(-c3oc(C)cn3)c2	1434
+c1ccccc1COCC2Oc3c(OC2)ccc(CCNCC(O)c4ccc(c(c4)NC=O)O)c3	1434
+C[Si](C)(C)CCOCOc1cc(CCl)cc2c1cccc2	1331
+C[Si](C)(C)CCOCOc1c2c(cccc2)cc(c1)COC3C(c4ccc(cc4)F)CCNC3	25
+CC(C)Oc1ccc(-c2nc(-c3c4c(cco4)c(cc3)O)no2)cc1Cl	1434
+C[Si](C)(C)CCOCOc1c2ccccc2cc(c1)COC3C(c4ccc(cc4)F)CCN(C3)Cc5ccccc5	555
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3c(Cl)cc(O)cc3)cc1	1434
+C[Si](C)(C)CCOCOc1c(Br)c(OCc2ccccc2)cc(c1)-c3oc(cn3)C	2996
+CC(C)(C(=O)OCC)Oc1cc2c(cccc2)c(O)c1	1434
+C[Si](C)(C)CCOCOc1cc(c(C(=N)NO)cc1)Cl	181
+CC(C)Oc1ccc(cc1C#N)-c2nc(no2)-c3ccc(cc3)O	1434
+C[Si](C)(C)CCOCOc1ccc(cc1)C(=NO)N	253
+C[Si](C)(C)CCOCOc1c(cc(C(CNCCc2ccc3c(OC(COCc4ccccc4)CO3)c2)O)cc1)NC=O	132
+C[Si](C)(C)CCOCn1c(-c2nc(N)ncc2I)cc(C(OCC)=O)c1-c3cc(Cl)ccc3C	1154
+FC(F)Oc1c(-c2n[nH]cc2NC(=O)c3c4n(cccn4)nc3)cc(cc1)Cl	928
+C[Si](C)(C)CCOCn1c(-c2ccc(cc2)OCC(Nc3ccc(cc3)C#N)=O)nc4N=CN(C(=O)c14)CCC	648
+c1cc(ccc1-c2nc3c(N=CN(CCC)C3=O)[nH]2)OCC(Nc4ccc(cc4)C#N)=O	503
+C[Si](C)(C)CCOCn1c(C(=O)c2ccc3NC(Sc3c2)=O)ccn1	2229
+C[Si](C)(C)CCOCn1c(C(c2ccc(cc2)N)=O)ccc1	0
+C[Si](C)(C)CCOCn1c2cc(c(nc2cc1OCCC(O)=O)-c3ccc(cc3)-c4ccccc4)Cl	2154
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2ccc(c(Oc3cc(Br)cc(Cl)c3)c2F)Cl)=O)Cl	312
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2c(F)c(Oc3cc(cc(c3)C#N)Br)c(cc2)Cl)=O)Cl	312
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2c(c(Oc3c(Cl)c(F)cc(C#N)c3)c(Cl)cc2)F)=O)Cl	312
+C[Si](C)(C)CCOCn1c(OCCC=O)cc2nc(-c3ccc(cc3)-c4ccccc4)c(cc12)Cl	24
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(C3=CCCCC3)cc(cc2)C4CNS(NC4)(=O)=O	616
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C=3CCCCC=3)C(COC(=O)C)COC(=O)C	616
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(Br)cc2C3=CCCCC3	616
+C[Si](C)(C)CCOCn1c(Br)nc(C(=O)O)c1	1
+C[Si](C)(C)CCOCn1c2c(cccc2)nc1Oc3ccc(cc3)-c4c5nc(cn5ccc4)C	2200
+c1cc(ccc1-c2c3c(-c4c(scc4)C3)n[nH]2)Nc5ccc(cc5)F	928
+c1cc(ccc1-c2c3c(-c4c(scc4)C3)n[nH]2)Nc5ccc(cc5)OC	928
+C[Si](C)(C)CCOCn1c2c(N=C(N(CC(C)C)C2=O)Oc3c(C)nccc3)nc1C4CCCC4	8737
+C1CCC(C1)c2nc3c([nH]2)N=C(Oc4c(C)nccc4)N(CC(C)C)C3=O	503
+C[Si](C)(C)CCOCn1c2nccc(Nc3c(F)cc(cc3)[N+](=O)[O-])c2c(c1)C(F)(F)F	698
+C[Si](C)(C)CCOCn1cc(-c2ccc(cc2)O)c3c(NC4CCCC4)nc(nc13)Nc5ccc(C(NC)=O)cc5OC	55
+CC(C)(CO)CNC(=O)c1c2nc(-c3nn(C)c4cc(F)ccc34)cnc2[nH]c1	1057
+C[Si](C)(C)CCOCn1c2c(c(C(NCC(C)O)=O)c1)c(-c3cccc(c3)[N+]([O-])=O)ncn2	56
+C[Si](C)(C)CCOCn1c2ncnc(-c3ccc(cc3C)C)c2c(c1)C(=O)N	393
+c12cnc(C#N)cc1c3c(OCC4CCCCN4C)ccnc3[nH]2	4581
+C[Si](C)(C)CCOCn1c2cnc(C#N)cc2c3cc(cnc13)Cl	3918
+C[Si](C)(C)CCOCn1c2c(c3cccnc13)cc(C#N)nc2	2005
+C[Si](C)(C)CCOCn1c2ncc(C(O)C)c(c2cc1)NC3CCCCC3	652
+C[Si](C)(C)CCOCn1c2c(c(C(=NN)C3CCCCC3)ncn2)cc1	8738
+c1cc(ccc1Oc2[nH]c3ccccc3n2)-c4c5n(ccc4)cc(C)n5	8739
+C[Si](C)(C)CCOCn1c2ccc(NC=O)cc2cn1	753
+C[Si](C)(C)CCOCn1cc(c2nc(N3C(=O)c4c(C3)c(Cl)ccc4)cnc12)C(=O)O	2230
+C1CN(c2c3cc(ccc3ncn2)-c4cnc5c(c4)nc(C)[nH]5)c6ccccc6C1	8740
+c1cc(ccc1-c2ccccc2)-c3c(Cl)cc4[nH]c(cc4n3)OCCC(=O)O	8741
+C[Si](C)(C)CCOCn1nc(C(=O)O)c2c1cc(Br)cc2	1
+C[Si](C)(C)CCOCn1c2ccc(cc2cc1)C(c3ccccc3C#N)O	257
+C[Si](C)(C)CCOCn1c2c(cc(cc2)C#C)cn1	75
+C[Si](C)(C)CCOCn1c2ccc(NC)cc2cn1	695
+C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c4c1ccc([N+]([O-])=O)c4	567
+C[Si](C)(C)CCOCn1c2ccc([N+](=O)[O-])cc2c(C=O)n1	2231
+C[Si](C)(C)CCOCn1c2ccc(C(=O)c3ccccc3C#N)cc2cc1	335
+Clc1cnc2c(c3c(cnc(C#N)c3)[nH]2)c1	4581
+C[Si](C)(C)CCOCn1c2cnc(c(F)c2c3c1nccc3)C#N	577
+C1C(CC1)Oc2cc(-c3[nH]c4c(c(O)nnc4)c3Cl)ccc2OC	8742
+C[Si](C)(C)CCOCn1cc(C(=O)NC(C)(C)C)c2c1nc(c(Nc3cnn(C)c3)n2)C	8743
+C[Si](C)(C)CCOCn1c2c(c(NC3CCCC3)nc(Cl)n2)c(-c4ccc(cc4)O)c1	2123
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(c2c(F)c1)Oc4cc(ccc4)N	0
+C(Nc1cccc(Oc2c3c(F)c[nH]c3nc(Nc4ccn(C)n4)n2)c1)(C=C)=O	762
+C1CN(CCN1c2c(F)cccc2)c3nc4c(c(n3)O)ccn4CO	4582
+CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)Br	1057
+C[Si](C)(C)CCOCn1cc(c2nc(Nc3cnc(C)cc3)cnc12)C(=O)NC(C)(C)C	8744
+C[Si](C)(C)CCOCn1cc(c2nc(Nc3ccc(cc3)CO)cnc12)C(=O)C(C)(C)C	8745
+C[Si](C)(C)CCOCn1c2c(nc(cn2)-c3cn(CC)nc3)c(c1)C(O)=O	2230
+c1cc(ccc1CN2C(N(C3CCCCC3C)c4c5cc[nH]c5ncc24)=O)C#N	762
+C[Si](C)(C)CCOCn1c2ncc3N(Cc4ccc(cc4)C#N)C(N(C5CCCCC5C)c3c2cc1)=O	8746
+FC(F)(F)c1c[nH]c2nccc(Nc3c(F)cc(cc3)[N+](=O)[O-])c12	762
+n1cnc2[nH]cc(C#N)c2c1-c3ccc(C)cc3C	762
+C[Si](C)(C)CCOCn1c2ncnc(-c3c(C)cc(cc3)C)c2c(c1)C#N	1014
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)-c3cnn(C4(CC(C4)COC)CC#N)c3	21
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(c3)C(C)(C)CCO)c2cc1	44
+CC(C)NC(=O)c1ccc(N2CC(C2)(n3ncc(c3)-c4ncnc5c4cc[nH]5)CC#N)c(c1)F	762
+CC(C)(CCO)n1ncc(-c2ncnc3c2cc[nH]3)c1	762
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1	24
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)-c3cnn(C4(CC(C4)CO)CC#N)c3	88
+C[Si](C)(C)CCOCn1cc(C2=NN3C(=NNC3=S)C=C2)cn1	8747
+C[Si](C)(C)CCOCn1nc(c(-c2ccncc2)c1)-c3cc(CNC(c4ccc(cc4)C(F)(F)F)=O)ccc3	93
+N1CC(CNS1(=O)=O)c2ccc(NC(=O)c3nc(c[nH]3)C#N)c(C4=CCCCC4)c2	503
+CC1(C)CCC(=CC1)c2c(ccc(c2)CCS(=O)(=O)N(C)C)NC(=O)c3nc(c[nH]3)C#N	503
+C1CN(CCC1c2ccc(c(C3=CCCCC3)c2)NC(=O)c4nc(c[nH]4)C#N)C(NCCO)=O	503
+CC1(C)CCC(c2cc(ccc2NC(=O)c3nc(c[nH]3)C#N)Br)=CC1	503
+C1C(=O)N(C(CC1c2cc(c(cc2)NC(=O)c3nc(c[nH]3)C#N)C4=CCCCC4)=O)C	503
+CC1(C)CCC(c2c(ccc(CCC(=O)N)c2)NC(=O)c3nc(c[nH]3)C#N)=CC1	503
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(C=3CCCCC=3)cc(cc2)C(CO)CO	59
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C=3CCCCC=3)C(CO)COC(C)=O	59
+C1N(CC1C#N)C(C(C2CC2)NC(=O)c3c[nH]c4c3nc(cn4)N5Cc6c(cccc6Cl)C5=O)=O	1057
+C1CC1c2nc3c(c[nH]c3nc2)C(NC(C)CC(NCC)=O)=O	1057
+C1CC1C(C(C)(C)C(=O)N)NC(c2c3nc(cnc3[nH]c2)C4CC4)=O	1057
+C[Si](C)(C)CCOCn1cc(C(NC(C(C)(C)C(=O)N)C2CC2)=O)c3c1ncc(C4CC4)n3	645
+C1CC(CCO1)NC(=O)c2c[nH]nc2-c3sc4c(CCCC4)n3	928
+C[Si](C)(C)CCOCn1c2c(c(c1)C(O)=O)c(-c3cc(ccc3)[N+]([O-])=O)ncn2	6
+C[Si](C)(C)CCOCn1ncc(c1)-c2ccc3n(n2)c(nn3)Sc4cc5c(nccc5)cc4	4583
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(Oc4cccc([N+](=O)[O-])c4)c2c(F)c1	1618
+C[Si](C)(C)CCOCn1cc(-c2ccncc2)c(-c3cc(ccc3)CN)n1	107
+C[Si](C)(C)CCOCn1cc(c(-c2sc3CCCCc3n2)n1)C(=O)O	6
+C[Si](C)(C)CCOCn1cc(c2c(nc(Cl)nc12)Cl)-c3ccncc3	2997
+c12c(n(cc1-c3cc(ccc3)C#N)CO)ncnc2Cl	4582
+C[Si](C)(C)CCOCn1cc(F)c2c(Oc3cc([N+](=O)[O-])ccc3)nc(nc12)Cl	8748
+C[Si](C)(C)CCOCn1c2c(c(C(O)=O)c1)nc(-c3c4ccc(cc4n(C)n3)F)cn2	2230
+C[Si](C)(C)CCOCn1c2ncc(Br)nc2c(C(=O)O)c1	2230
+CC(C)(C)C(C(N1CCC(CC1)(O)c2ccccc2)=O)NC(=O)c3c4c([nH]c3)ncc(n4)C5CC5	1057
+CC(C)(C)C(=O)c1c2c(ncc(Nc3ccc(cc3)C=C(C(N)=O)C#N)n2)[nH]c1	1057
+C[Si](C)(C)CCOCn1cc(c2nc(cnc12)Nc3ccc(cc3)C=O)C(=O)C(C)(C)C	39
+CC(C)(C)NC(=O)c1c[nH]c2c1nc(Nc3cnc(C)cc3)cn2	1057
+C[Si](C)(C)CCOCn1cc(c2nc(Nc3ccc(cc3)C=C(C(N)=O)C#N)cnc12)C(=O)C(C)(C)C	2204
+C[Si](C)(C)CCOCn1cc(c2nc(Nc3ccc(cc3)C=C(C(NC)=O)C#N)cnc12)C(=O)C(C)(C)C	2204
+FC(F)(F)c1cnc([nH]1)-c2ncc(-c3cnc(cc3C)OCC4(CCC4)C(O)=O)cc2Cl	503
+C[Si](C)(C)CCOCn1cc(nc1-c2c(Cl)cc(cn2)-c3cnc(cc3C)OCC4(CCC4)C(O)=O)C(F)(F)F	3
+FC(F)(F)c1c[nH]c(-c2ccc(cc2Cl)-c3c(C)cc(OCC4(CCC4)C(O)=O)nc3)n1	503
+C[Si](C)(C)CCOCn1cc(nc1-c2ccc(cc2Cl)-c3c(C)cc(OCC4(CCC4)C(O)=O)nc3)C(F)(F)F	3
+CC1(C)CCC(=CC1)c2c(cc(C(=O)C)cc2)NC(c3nc(c[nH]3)C#N)=O	503
+CC1(C)CC=C(CC1)c2cc(C3(CCS(CC3)(=O)=O)C#N)ccc2NC(=O)c4[nH]c(C#N)cn4	503
+C[Si](C)(C)CCOCn1cc(nc1C=NO)C(F)(F)F	4584
+C[Si](C)(C)CCOCn1nc2c(cc(cc2c1)F)C(OC(=N)C(Cl)(Cl)Cl)C	1664
+C[Si](C)(C)CCOCn1ccc(-c2nc3ccc(c(NC(=O)CNc4ccc(cc4)F)c3cc2)Cl)n1	1391
+c1cc(ccc1F)NCC(=O)Nc2c(ccc3nc(ccc23)-c4n[nH]cc4)Cl	928
+O=S(=O)(N1CCN(CC1)CC(n2cc(cn2)-c3ncnc4[nH]ccc34)C)c5nn(cc5)C	762
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(C(C)CN4CCN(CC4)S(=O)(=O)c5nn(cc5)C)nc3)ncnc12	2043
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(C(C)CN4CCNCC4)nc3)ncnc12	62
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C(CC#N)C4CN(CC4)c5nc(ccc5)Cl)nc3	43
+C[Si](C)(C)CCOCn1c2c(cc1)c(ncn2)C(C3CCCCC3)=O	955
+C[Si](C)(C)CCOCn1ccc2c(O)nc(Cl)nc12	4585
+c1cc(ccc1)CN2CC(C(C)CC2)N(C)c3c4cc[nH]c4ncc3	762
+C[Si](C)(C)CCOCn1c2ncc3NC(=O)N(C4C(CCCC4)C)c3c2cc1	8749
+C[Si](C)(C)CCOCn1ccc2c(N(C)C3CN(CCC3C)Cc4ccccc4)ccnc12	1635
+C[Si](C)(C)CCOCn1ccc2c(ccnc12)Nc3ccc([N+](=O)[O-])cc3F	1215
+c1(ncnc2[nH]ccc12)-c3cn(C(C4CN(CC4)c5nc(Cl)ccc5)CC#N)nc3	762
+C1CC(CCC1CC#N)n2cc(cn2)-c3ncnc4c3cc[nH]4	762
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C4CCC(CC4)COS(=O)(=O)C)nc3	7
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C4CCC(CC4)CC#N)nc3	300
+C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)C4CCNC4)c3)ncnc12	62
+CN(c1c2c([nH]cc2)ncc1)c3ccc([N+]([O-])=O)cc3F	762
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cnn(C(C4CN(C(=O)OCc5ccccc5)CC4)CC#N)c3	3744
+C[Si](C)(C)CCOCn1ccc2c1ncnc2-c3cn(C(CN4CC(C(CC4)OC(=O)c5ccccc5)F)CC#N)nc3	1647
+C[Si](C)(C)CCOCn1ccc2c1ncnc2-c3cn(C(CC#N)CN4CC(F)C(O)CC4)nc3	682
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CNCC(F)(F)F)=O)cnc12	110
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)C=O)=O)cnc12	24
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CO)=O)cnc12	35
+c1(Cl)c([nH]cn1)C(NCc2ccc(Cl)c(Oc3cc(cc(Br)c3)C#N)c2F)=O	503
+Clc1cc(cc(Oc2c(Cl)ccc(c2F)CNC(c3c(Cl)nc[nH]3)=O)c1)C#C	503
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2c(F)c(c(cc2)Cl)Oc3cc(Cl)cc(C#C)c3)=O)Cl	75
+c1(Cl)c([nH]cn1)C(NCc2ccc(Cl)c(Oc3cc(cc(c3Cl)F)C#N)c2F)=O	503
+C1COCCN1C(=O)c2c(O)ccc(-c3cc4c([nH]nc4nc3)-c5ccccc5OC)c2	8750
+C[Si](C)(C)CCOCn1c2c(c(-c3nc4ccccc4[nH]3)n1)cc(N)cc2	0
+C[Si](C)(C)CCOCn1nc(c2cc(ccc12)C3OCCO3)I	1435
+C[Si](C)(C)CCOCn1c2ccc(cc2c(n1)C#Cc3cc(ccc3)F)[N+](=O)[O-]	2349
+FC(F)(F)c1ccc(cc1)C(=O)NCc2cccc(-c3c(-c4ccncc4)cn[nH]3)c2	928
+C[Si](C)(C)CCOCn1nc(-c2ccc(cc2)Nc3cnccc3)c4c1-c5c(scc5)C4	2998
+C[Si](C)(C)CCOCn1c-2c(c(-c3ccc(cc3)Nc4ccc(cc4)F)n1)Cc5sccc-25	230
+C[Si](C)(C)CCOCn1c-2c(c(-c3ccc(cc3)Nc4ccc(cc4)OC)n1)Cc5sccc-25	230
+C[Si](C)(C)CCOCn1c2-c3ccsc3Cc2c(-c4ccc(cc4)Nc5ccncc5)n1	230
+c1cc(ccc1OC)-c2[nH]nc-3c2Cc4sc(-c5ccc(cc5)F)cc-34	928
+C[Si](C)(C)CCOCn1cc2cc(cc(C(O)C)c2n1)F	2129
+C[Si](C)(C)CCOCn1cc(-c2ccc(NN)nn2)cn1	599
+C[Si](C)(C)CCOCn1ncc([N+]([O-])=O)c1-c2c(ccc(Cl)c2)OC(F)F	8751
+c1(c(F)c(c(c(OC)c1)F)N2C(C3(CC3)c4c(cnc(-c5n[nH]cc5[N+]([O-])=O)c4)C2)=O)OC	928
+C[Si](C)(C)CCOCn1c(-c2c(ccc(Cl)c2)OC(F)F)c(cn1)N	209
+c1(n2c(nn1)ccc(-c3c[nH]nc3)n2)Sc4ccc5ncccc5c4	928
+C[Si](C)(C)CCOCn1ncc2c1cc(N)c(CNC(c3ccccc3)C)n2	473
+C[Si](C)(C)CCOCn1ncc2c1cc(NC(OC(C)(C)C)=O)c(CNC(c3ccccc3)C)n2	294
+C[Si](C)(C)CCOCn1c2c(cn1)cc(cc2)N	0
+n1cc(-c2cc3c[nH]nc3cc2)ccc1	8752
+C[Si](C)(C)CCOCn1ncc2cc(-c3cccnc3)ccc12	1617
+C[Si](C)(C)CCOCn1ncc2c1cc(c(C=O)n2)NC(=O)OC(C)(C)C	1436
+C[Si](C)(C)CCOCn1c(C(c2cc3c(NC(=O)S3)cc2)O)ccn1	4586
+C[Si](C)(C)CCSc1cc(c(OCc2ccccc2)c3ncccc13)Cl	2039
+c1ccc(cc1C2(c3cccc(c3)Cl)C4CN(CC4C(CC2)=O)Cc5ccccc5)Cl	8753
+C[Si](C)(C)Cn1cc(-c2nc(ccc2)Br)nn1	8754
+C[Si](C)(C)CNC(=S)c1cc(c(cc1)Br)C	581
+C[Si](C)(C)CNC(=S)c1cc(C#N)c(cc1)-n2ncnc2	581
+C[Si](C)(C)OC(N=Cc1cc(I)ccc1OCC=C)=C	4587
+C[Si](C)(C)OC(=C)N=Cc1cc(ccc1Oc2ccc(cc2)OC)Br	4587
+C[Si](C)(C)c1c(C(=O)NCC)c(ccc1Cl)Cl	1091
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(C#C[Si](C)(C)C)n3)n1)C	4182
+C[Si](C)(C)OC(CC#C)(C(F)F)CCCC	19
+C[Si](C)(C)c1c(F)c(ccc1Br)F	1091
+C[Si](C)(C)OC(CC#C)CCCC	19
+C[Si](C)(C)c1ccc(Br)cc1F	1803
+C[Si](C)(C)c1c(cc(cc1F)Cl)F	1091
+C[Si](C)(C)C1c2cc(ccc2-c3n(c4c(c(C)cc(c4)C)c13)C)F	8755
+C[Si](C)(C)OC(=C)CCOCc1ccccc1	8756
+C[Si](C)(C)c1cccc(c1C(NCC)=O)Cl	1091
+C[Si](C)(C)OC1C(NC1=O)c2ccccc2	1952
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)C(OC)=O	19
+c1cc(ccc1Br)-c2c(C(=O)OCC)n(nn2)C	2999
+c1(-c2nc(ccc2)Br)nnn(C)c1	2999
+C1CN(CCC1Cn2ccc3cc(-c4cn(C)nn4)ccc23)C(CCc5ccccc5)=O	2999
+c1ccccc1C2CC(c3c(O2)cc(c(c3)-c4cccnc4F)F)=NC#N	8757
+c1cc(ccc1)Cc2cn(c3c2cccc3)CCN(C(=O)N)O	3595
+c1cc(ccc1OC)-c2nc(oc2-c3ccc(cc3)OCCNC(=O)N)OC	8758
+Clc1cccc(Cl)c1COc2ccc3c(cc(n3CCCc4[nH]nnn4)C(NCC(C)C)=O)c2	3988
+FC(F)(F)c1cn(nn1)-c2c(-c3cc(OC)ncn3)cc(C)cc2	8759
+FC(F)(F)C(Nc1ncc(c2c1c3c(cc(cc3)-c4[nH]nnc4)[nH]2)C(=O)N)C5CC5	8760
+FC(F)(F)c1ccc(-n2c(nnn2)COC(C)=O)cc1C#N	3779
+FC(F)(F)c1cccc(CN2C(=O)N(c3ccc(cc3)N4CCOC4=O)C=C(c5[nH]nnn5)C2=O)c1C	3563
+FC(F)(F)c1c(C)c(CN2C(C(c3[nH]nnn3)=CN(c4ccc5c(N(C)C(=O)N5C)c4)C2=O)=O)ccc1	8761
+c1(-c2ccc(Cl)c(c2)CNC(OC)=O)[nH]nnc1	3000
+c1ccccc1C(C(OCC)=O)c2[nH]nnn2	8762
+c1cc(ccc1)-c2n(nnn2)Cc3ccccc3	2497
+c1cc(ccc1)Cn2nnnc2C3CCCN3C(=O)OCc4ccccc4	4164
+c1ccccc1COc2c(-c3nnnn3CCCOC)cc(c(OCc4ccccc4)c2)Br	2497
+c1ccccc1N=[N+]=[N-]	8763
+c1cc(ccc1)S(=O)(=O)c2cccc3cc([nH]c23)C(=O)Nc4c(cc(cc4)I)-c5[nH]nnn5	2162
+c1cc(ccc1-c2nnn[nH]2)C(=O)N(OC)C	2162
+c1cc(ccc1-c2[nH]nnn2)CCC(C=Cc3c(cccc3)OCCCCCc4ccccc4)CCCCC(OCC)=O	1711
+c1cc(ccc1OCCCCOc2c(C)c(c(cc2)C(CCC)=O)O)-c3[nH]nnn3	2162
+c1cc(ccc1OCCCCOc2ccc(c(c2Br)O)C(C)=O)-c3[nH]nnn3	4440
+c1cc(ccc1CN2C(C=CC(c3ccc(cc3)Cc4nnn[nH]4)=C2)=O)Cl	3895
+c1cc(ccc1CC2=C(n3c(ccn3)N(C4CCOCC4)C2=O)CCC)-c5ccccc5-c6[nH]nnn6	8764
+c1cc(ccc1F)-c2oc3ccc(cc3c2C(NC)=O)-c4cccc(-c5nnn[nH]5)c4	1711
+c1cc(ccc1F)-n2ccc3c2ccc(-c4nn[nH]c4)c3	3000
+c1cc(ccc1F)COc2cc(c(cc2)N3C(NN=N3)=O)F	8765
+c1cc(ccc1S(=O)(=O)n2ncc3c(cc(cc23)Br)-c4nnn[nH]4)C	1711
+c1cc(ccc1)-c2[nH]nnc2-c3c4c(nc(OC)c(OC)n4)cc(Cl)c3Cl	8766
+c1cc(ccc1CC=2C(=O)N(Cc3ccccc3)C(C)=CC=2OCCC)-c4ccccc4-c5[nH]nnn5	1711
+c1ccccc1CN2CCC(CC2)c3nnnn3C	4199
+c1nc(NC2c3cc(-c4[nH]nnc4)ccc3N(C(C)C2)C(=O)C)ccc1C	3000
+C[Si](C)(C)OC(C=1N2C(C(NC=O)C2S(CC=1CBr)=O)=O)=O	8767
+O(C)CCOc1ccnc(N)c1	2987
+c1cc(ccc1-c2ccccc2)COCc3ccc(nc3)N	2987
+c1ccccc1C(c2ccccc2)=CCN3CCN(CC3)c4ccc(cc4)C(=N)N	8768
+CC(C)(C)OC(=O)Oc1cc(C#CC(C)(C)O[Si](C)(C)C)c(-c2c(ccc(OC)c2)F)cc1	1247
+C[Si](C)(C)OC(C)(C)C#CC(=O)c1ccc(cc1)C#N	8769
+c1cc(ccc1C(C#CC(C)(C)O)=O)C#N	4144
+C[Si](C)(C)OC(CCCC)CC=CI	8770
+OC(CC=CI)CCCC	353
+c1cc(ccc1)C(C(C)(C)C(OC)=O)c2cc3c(cc2)c(n[nH]3)-c4ccccc4	8771
+OC(C(=O)OC)c1csc(C)n1	8772
+C[Si](C)(C)c1ccc(cc1)C=C(F)c2nn(c(C)c2)Cc3ccnc(c3)N4CCN(CC4)C5CC5	3001
+C1CC1N2CCC(CC2C)Nc3nc(-c4c(Cl)ccc(O)c4)nc(-c5c(C)noc5C)c3C	3001
+C1CC1N2CCc3cc([N+]([O-])=O)ccc3CC2	3001
+Clc1ccc2SCCC(C(=O)O)c2c1	8773
+C[Si](C)(C)OC1C(O)C(OC(CO[Si](C)(C)C)C1O)c2cc(Cc3ccc(cc3)OCCOC4CCCCC4)c(cc2)Cl	353
+C[Si](C)(C)OCC1OC(c2ccc(Cl)c(Cc3ccc(cc3)COC4CC4)c2)(OC)C(C(C1O)O)O[Si](C)(C)C	353
+C[Si](C)(C)OCC1OC(c2cc(c(Cl)cc2)Cc3ccc(cc3)OC(F)(F)F)(OC)C(C(C1O)O)O[Si](C)(C)C	353
+C[Si](C)(C)OCC1OC(c2cc(c(Cl)cc2)Cc3ccc(cc3)OCC(F)F)(OC)C(C(C1O)O)O[Si](C)(C)C	353
+C[Si](C)(C)OCC1OC(c2ccc(c(c2)Cc3ccc(cc3)OCCOC4CCCCC4)Cl)C(O)C(O)C1O	353
+c1cc(ccc1COC2CC2)Cc3c(ccc(C4(OC(CO)C(C(O)C4O)O)OC)c3)Cl	353
+c1cc(ccc1Cc2cc(C3(OC(CO)C(C(O)C3O)O)OC)ccc2Cl)OCC(F)F	353
+C[Si](C)(C)OC1C(C(CO[Si](C)(C)C)OC(c2cc(Cc3ccc(cc3)COC4CC4)c(Cl)cc2)(OC)C1O[Si](C)(C)C)O	353
+C[Si](C)(C)OC1C(C(CO[Si](C)(C)C)OC(c2ccc(Cl)c(c2)Cc3ccc(cc3)OCC(F)F)(OC)C1O[Si](C)(C)C)O	353
+C[Si](C)(C)OC1C(C(CO[Si](C)(C)C)OC(c2cc(c(Cl)cc2)Cc3ccc(cc3)OC(F)(F)F)(OC)C1O[Si](C)(C)C)O	353
+C[Si](C)(C)OC1C(C(CO[Si](C)(C)C)OC(C1O)c2cc(c(Cl)cc2)Cc3ccc(cc3)OCCOC4CCCCC4)O[Si](C)(C)C	353
+C[Si](C)(C)OCC1OC(C(C(O)C1O)O[Si](C)(C)C)(OC)c2c(CCCOCC#CC)cc(c(c2)Cc3ccc(cc3)OCC)Cl	353
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)COC	21
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)CO	88
+c1cc(ccc1OCC)Cc2c(Cl)cc(CCCOCC#CC)c(c2)C3(OC)C(C(C(C(CO)O3)O)O)O	353
+C[Si](C)(C)OCC1OC(C(C(O)C1O)O)(c2c(CCCOCC#CC)cc(Cl)c(Cc3ccc(cc3)OCC)c2)OC	353
+FC(F)(F)Oc1ccc(cc1)Cc2c(Cl)ccc(C3(OC(CO)C(O)C(O)C3O[Si](C)(C)C)OC)c2	353
+C[Si](C)(C)OC1C(OC(CO)C(O)C1O)(c2ccc(Cl)c(Cc3ccc(cc3)OCC(F)F)c2)OC	353
+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(c2cc(Cc3ccc(cc3)OCC)c(cc2CCCOCC#CC)Cl)(OC)OC(CO[Si](C)(C)C)C1O	353
+C[Si](C)(C)OC1C(OC(CO)C(O)C1O)(c2cc(c(Cl)cc2)Cc3ccc(cc3)COC4CC4)OC	353
+c1cc(ccc1OCCOC2CCCCC2)Cc3c(ccc(C4C(O)C(O)C(O)C(CO)O4)c3)Cl	353
+C[Si](C)(C)OCCCNc1nc2N(C(=O)C(=Cc2cn1)c3c(Cl)cc(-c4nc(C)cnc4)cc3)CC	96
+c1ncc(-c2cc(Cl)c(C3=Cc4c(N(C3=O)CC)nc(nc4)NCCCO)cc2)nc1C	353
+N#Cc1nccc(CO)c1	353
+C[Si](C)(C)ONC(C(S(=O)(=O)C)(C)CCc1cnc(Br)cc1)=O	293
+c1cnccc1Cc2nc(on2)C(CCCC3CCCCC3)CC(NO)=O	3669
+C1CC(CCC1)CCCC(CC(NO)=O)c2nc(C(N3CC(C3)C(OC)=O)=O)no2	4588
+O=S(=O)(C)C(C(=O)NO)(CCc1cnc(Br)cc1)C	4588
+C[Si](C)(C)OC(c1ccc(cc1)-n2cncn2)=C	8774
+c1cc(ccc1)-c2c[nH]c3c2cc(Cl)cc3[N+]([O-])=O	8775
+C[Si](C)(C)c1c(c(F)c(C(=O)O)cc1Br)F	634
+C[Si](C)(C)c1c(c(-c2cc(cnn2)-c3ccc(F)c(-c4c(F)cccc4C#N)c3)ncc1F)F	8776
+N#Cc1c(c(F)ccc1)-c2cc(ccc2F)-c3cc(-c4c(cc(cn4)F)F)nnc3	8777
+c1c(c(C=O)c(Cl)cc1F)F	4589
+O=Cc1c(Cl)cc(c(c1F)I)F	1058
+CC1(C)C(N(C)c2c(c(ccc12)I)F)=O	1058
+O=Cc1c(c(F)cc(c1)Br)F	4589
+C[Si](C)(C)c1c(cc(C(Cc2ccc(cc2)Cl)=O)c(F)c1F)Br	8778
+C[Si](C)(C)c1cc(nnc1Cl)NN	599
+C[Si](C)(C)c1c2n(Cc3cccc(F)c3)c(cc2ccc1)C(=O)O	6
+C[Si](C)(C)c1cc(F)c(cc1)Nc2c(C(OCC)=O)oc3ccncc23	4590
+C[Si](C)(C)c1cc(c(cc1)Nc2c(oc3c2c(Cl)ncc3)C(OCC)=O)F	4590
+c1c(I)cc(c(c1)NC=2C(=C3SCCN3C(C=2C)=O)[N+]([O-])=O)F	1058
+c1c(I)cc(c(Nc2c3c(oc2C(=O)OCC)ccnc3)c1)F	1058
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(nc(nc3OC)NCCO)OC)=O	118
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(nc(nc3OC)NCCN)OC)=O	273
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(nc(nc3OC)NCCOS(=O)(=O)C)OC)=O	7
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(nc(nc3OC)NCCNCc4ccccc4)OC)=O	285
+c1c(I)cc(c(c1)NC2=C(C(N3C(OCC3)=C2[N+]([O-])=O)=O)C)F	1058
+c1c(I)cc(c(Nc2c3c(oc2C(=O)OCC)ccnc3Cl)c1)F	1058
+C[Si](C)(C)c1cccc(c1)C#Cc2cc(Br)ccc2	129
+C[Si](C)(C)c1cccc(C=C(N=[N+]=[N-])C(=O)OCC)c1	8779
+C[Si](C)(C)c1cc(NNC(c2c(F)cccc2)=O)nnc1Cl	1798
+C[Si](C)(C)c1cc2cc(C(OCC)=O)n(Cc3cc(ccc3)C)c2cc1	8780
+c1c(I)cc(c(Nc2c(ncc(CNC=O)n2)C(=O)OC)c1)F	1058
+C[Si](C)(C)c1ccc(c(F)c1)Nc2nc(cnc2C(OC)=O)CN	4212
+C[Si](C)(C)c1cc(F)c(cc1)N	0
+CC(C)(C)OC(c1c(Nc2c(cc(I)cc2)F)c3cnsc3cc1)=O	1058
+C[Si](C)(C)c1ccc(Nc2nc(C#N)cnc2C(=O)OC)c(F)c1	8781
+C[Si](C)(C)c1ccc(Nc2c(ncc(n2)CNC=O)C(OC)=O)c(F)c1	707
+C[Si](C)(C)c1ccc(cc1)C#Cc2cccc(Br)c2	129
+C[Si](C)(C)c1ccc(cc1)C=C(F)c2nn(Cc3ccnc(Cl)c3)c(C)c2	1944
+C[Si](C)(C)c1ccc(cc1)CNCCc2cccc(C(F)(F)F)c2	42
+C[Si](C)(C)c1ccc(cc1)CN(CCc2cc(ccc2)C(F)(F)F)C(=O)c3c4[nH]ccc4cc(Cl)c3F	211
+C[Si](C)(C)c1ccc(cc1)-n2c(C)c(cc2-c3c(Cl)cc(cc3)Cl)C(=O)OCC	4591
+C[Si](C)(C)c1ccc(cc1)N	0
+C[Si](C)(C)c1cc2c([nH]c(C(=O)OCC)c2)cc1	4592
+C[Si](C)(C)c1c(ccc(Cl)c1C(=O)NCC)[N+]([O-])=O	8782
+C[Si](C)(C)c1nn(c(c1)C(=O)O)-c2ccc(cc2)OCCN3CCOCC3	6
+C[Si](C)(C)c1nn(-c2ccc(cc2)O)c(C(=O)OCC)c1	186
+c1cc(ccc1C)S(=O)(=O)OCCC[Si](C)(C)CCCC	36
+c1cc(ccc1[Si](C)(C)CCl)Cl	1803
+C(C)N(CC)C(=O)c1c(ccc2c1cccc2)[Si](C)(C)CI	8783
+O(C)c1c(F)cc2C(C(Cc2c1C)CCCC)=O	8784
+c12c(nc[nH]1)c(c(N)cc2)C	8785
+c1cc(ccc1F)-c2n(-c3ccccc3)c4c(nc(C(=O)OCC)c(O)c4c2C#N)C	8786
+Clc1ccc2ccc(COc3cc4c(OCc5c(C4SCCc6nnn[nH]6)cccc5)cc3)nc2c1	4049
+c1cc(ccc1Cn2c(nc3cccc(C(=O)OCC)c23)OCC)-c4ccccc4-c5[nH]nnn5	8787
+c1cc2c(cc(cn2)C#N)cc1Cc3cc(ccn3)C(=O)OC	8788
+c1cc(ccc1N2C(OC(Cn3nnc(c3)C)C2)=O)-c4ccc(C=5CC(CO)ON=5)s4	8789
+CC(C)(C)[Si](C)(C)OCC1CC(=NO1)c2ccc(cc2)-c3ccc(cc3)N4CC(Cn5ccnn5)OC4=O	8790
+O=S(=O)(c1cnc(cc1)-c2cnc(c(-c3sc4C(NCCc4c3)=O)c2)N)N(C)CC	8791
+c1cc(C(=O)c2c(C)n(c3ccccc23)CCNc4ccc(c(c4)OC)C(OC)=O)c5c(cccc5)c1	1277
+Cc1ccccc1-c2ncncc2N	193
+Cc1c(cccc1)-c2c(ccc(I)c2C)SC	158
+FC(F)(F)c1c(Cl)cc(cc1)C(=O)N(C)c2cnccc2-c3ccccc3C	3002
+FC(F)(F)c1ccc(c(C(N(C)c2c(ccnc2)-c3ccccc3C)=O)c1)F	4593
+Cc1c(-c2cc3ncc([N+]([O-])=O)c(c3cc2OC)Cl)c(C)on1	120
+Cc1c(-c2cc3ncc4nc(n(Cc5ncccc5)c4c3cc2OC)N)c(C)on1	8792
+Cc1c(-c2cc3c(c(c(N)cn3)NC(C)COC)cc2OC)c(C)on1	13
+Cc1c(-c2cc3c(c(c(N)cn3)NCc4ncccc4)cc2OC)c(C)on1	13
+Cc1c(-c2cc3c(c(c([N+]([O-])=O)cn3)NC(C)COC)cc2OC)c(C)on1	105
+Cc1nc(O)ccc1-c2cn3c(ncc3)cc2	2203
+C(Nc1nc(C)c(-c2csc(CC#N)n2)s1)(=O)n3cncc3	8793
+OCc1ccc(C)c(-c2ncccc2)n1	59
+O=S(=O)(CCN1Cc2cccc(Nc3nc(-c4ccccn4)c(C)cc3)c2CC1)C	781
+Cc1c(-c2nnc(SCCCN3CC4(CC3)CCc5cc(Cl)ccc45)n2C)sc(C)n1	53
+FC(F)(F)C(CC(=O)c1ccc(-c2occc2)c(C)c1)=O	1219
+O=S(=O)(OCCCOc1cc(Nc2cc(-c3c(-c4cnccc4)c(C#N)c(SC)s3)c(cc2)C)ccc1)C	7
+Cc1nn(-c2ccc(cc2F)O)c(I)c1C#N	8794
+Cc1c(C#N)c(n(-c2ccc(cc2F)O)n1)N	5
+Cc1c(nc2n1nc(cc2)Cl)C#N	1751
+Cc1noc(C)c1C(Nc2cc(ccc2O)CC(OC)=O)=O	2965
+c1(C)nc2sc(c(Br)c2c(N)c1)C	1220
+c1(C)nc2c(c(N)c1)c(c(Br)s2)-c3cc(ccc3)OC	1220
+Cc1n(c2cc(OC)ccc2c1C(NC)=O)CC	56
+c1ccccc1C(C)OC(Nc2n(-c3c(cc(Br)cc3)OC)nnc2C)=O	2907
+Cc1c(C(=O)O)n(nn1)-c2ccc(cc2OC)Br	1
+Cc1n2c(nc1C(=O)O)ccc(Cl)n2	1
+Cc1c(C(=O)N)nc2n1nc(cc2)Cl	2232
+Cc1c(C(=O)O)c2n(c(cc(C)c2)OCc3c(F)cccc3Cl)n1	6
+Cc1c(C(C)C(OCC)=O)ccc(n1)N	161
+CC(C)Oc1ccc(S(=O)(=O)N)cc1Nc2scc(-c3c(C)nc(C)n3C)n2	8795
+c1ccc(C)c2cc[nH]c12	4192
+CC1(C)Cc2c(C)cc(C)c(C)c2O1	1658
+O=[N+]([O-])c1c(cc(c(C)c1)C)NCCCN	250
+c1(oc(c(C)c1)C)Cc2ccccc2Br	2233
+Cc1c(C)cc(o1)Cc2cc(ccc2)Br	2233
+c1cc(ccc1Br)Cc2cc(C)c(C)o2	2233
+c1ccccc1-c2cc3c(nc(C)cc3nc2N)C	8796
+Cc1nc(SC)nc(Cl)c1CC(OC)=O	64
+Cc1nc(nc(Cl)c1CCCCCC)N	64
+Cc1c(C=O)c(N)cc(C)n1	200
+Cc1nn(-c2c(cccc2F)-c3nccn3C)cc1C=O	576
+c1cc(ccc1)Cn2cc(C(=O)OCC)c(OCc3cc(OCc4nc(oc4C)-c5ccco5)c(cc3)OC)n2	4594
+Cc1c(COc2cc(ccc2OC)CCl)nc(-c3occc3)o1	109
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4nc(-c5cc(C#N)ccc5)oc4C)cc3)OC)n2	4595
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(cc3)OCc4c(oc(C=CC(OCC)=O)n4)C)OC)n2	4595
+Cc1c(COc2ccc(cc2OC)CCl)nc(-c3cc(ccc3)C#N)o1	109
+Cc1c(COc2ccc(cc2OC)CCl)nc(C=CC(OCC)=O)o1	109
+Cc1c(COc2cnc(cc2)C(=O)O)c(no1)-c3ccc(cn3)F	1
+Cc1c(COc2cnc(cc2)C(=O)O)c(no1)-c3ncccc3	1
+Cc1c(COc2ncc(C(=O)O)cc2)c(no1)-c3ccncn3	1
+Cc1c(COc2nnc(cc2)C(NC)=O)c(no1)-c3cc(F)ccc3	780
+c1(c(C)c(SC)nnc1N)C	1929
+c1cc(ccc1F)-c2cn3nc(c(C)c(C)c3n2)Cl	1749
+CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12	14
+c1cc(ccc1)C2(NC(N(CC(c3c(F)cc(cc3)NC(=O)Nc4c(C)noc4C)=O)C2=O)=O)CCC	8797
+c1cc(C)c(OC)c(Oc2c(F)cccc2)c1	297
+Cc1nc2cccc(c2nc1Cl)Br	1221
+Cc1nc2cccc(Cl)c2nc1Cl	1221
+Cc1c(OC)cc(c(C(C)=O)c1)C	155
+C(=NO)(C)c1c(C)cc(OC)c(C)c1	189
+Cc1cc(-n2c(c(C)c(C)n2)C)ccc1O	5
+Cc1c(C(=O)O)c(-c2cc(C)c(cc2)Br)on1	1
+Cc1nccc(-c2ccc(Cl)cc2F)c1CO	269
+O=S(=O)(NCCCCC)NC(=O)C=Cc1c(C)nn(C)c1-n2ccc3cc(ccc23)Cl	4596
+CC(C)c1ccc(cc1)C2c3c(C)c(c(c(c3OC2=O)C)Br)C	8798
+c1cc(ccc1C#N)Nc2cc(nc(C)c2[N+]([O-])=O)C	179
+c1(cc(cc(C)c1Sc2nc(nc(C)c2[N+]([O-])=O)Cl)Br)C	1124
+O=S(=O)(C)c1nc(c(C(C)CC)c(Cl)n1)C	737
+C(c1cccc(I)c1C(=O)OC)Br	4597
+Cc1c(CO)c(N)cc(C)n1	351
+Cc1c(c(Cl)nc(SC)n1)C(C)CC	64
+Nc1cccc(C)c1Br	0
+N#Cc1c(Cl)cc(cc1)-c2c(n(Cc3cnc(Br)cc3)nc2C)C	8799
+Cc1c(F)c(c(CN)c(O)n1)C	388
+Cc1c(c(Br)c(C)c(O)c1)C	1437
+c1c(c(c(c(C)c1)[N+]([O-])=O)C)OC	450
+Ic1c(O)c(c(nc1C)C)[N+](=O)[O-]	583
+c1c(c(ccc1)Nc2cccc(C)c2C)CO	98
+c1(ccccc1Nc2cccc(C)c2C)CNO	1059
+c1cc(ccc1CO)Sc2c(O)nc(nc2C)N	8800
+c1cc(ccc1OC)-c2c3n(nc2C)c(cc(N4CCCC4CO)n3)-c5cc(ccc5)Cl	3003
+c1cc(ccc1)COc2c(cc(C(=O)C)c(n2)C)C#N	1424
+Cc1nc(Cl)c(cc1C(=O)OCC)C#N	137
+Cc1c(cc(C(=O)O)c(O)n1)C(=O)C	4598
+Cc1c(ccc(O)n1)C(=O)C	1220
+c1c(C)c(N2CCC2=O)cc(N)c1C	0
+n1c(C)ccc(Br)c1O	2005
+Cc1c(cc2CCCCC(O)c2n1)C(=O)OCC	59
+c1cc(ccc1C(N(C)C(=O)CN2c3c(cc(c(C)c3)C)N=CC2=O)CN4CCOCC4)-c5ccccc5	10
+FC(F)(F)S(=O)(=O)Oc1cc2c(nc(SC)nc2)nc1C	4599
+Cc1c(cc2ccc(cc2n1)OCc3cc(Cl)ccc3)C(=O)OCC	139
+Cc1c(cc2ccc(cc2n1)O)C(=O)O	5
+c12ccccc1cc(c(C)c2)CO	41
+c1cc(ccc1-c2ccc(cc2C)C#N)OC	11
+CCCCc1c(C)nc(O)c(c1)[N+](=O)[O-]	475
+c1cc(ccc1)COC(=O)c2cc(ccc2)Oc3ccc(O)c(C)c3	470
+Cc1c(ccc(n1)N)OC(C)=O	161
+c1c(C(=O)OC)ccc(c1C)-c2ccccc2OC	11
+C(OCCOc1ccc(c(C)c1)Br)C	8
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3ccc(c(c3)C)Br	951
+Cc1c(ccc2nc(C(=O)OCC)cn12)Br	1959
+Cc1nc(ccc1CN)N	388
+Cc1ccccc1-c2ccncc2N	13
+Cc1c(-c2c(ccc(N)c2C)SC)cccc1	8801
+c1cc(ccc1-c2nc(c3c(n2)CCN(C(=O)Nc4cc(CC)ccc4)C3)-c5ccccc5C)F	345
+Cc1c(-c2c([N+]([O-])=O)cncn2)cccc1	511
+c1cc(C)c(cc1)C(c2c(C)cccc2)N3C=CC=C(C(=O)OC)C3=O	4600
+C(c1ccc2oc(cc2c1)Cc3cccnc3C)C(=O)O	4
+Cc1c(nc(-c2cc(ccc2)Br)o1)CC(=O)O	459
+Cc1c(nc(-c2cc(ccc2)Br)o1)CCO	21
+c1cc(ccc1F)-c2cccc(c2)-c3oc(C)c(CCO)n3	11
+c1(C=O)cc(c(cc1)OCc2nc(-c3cc(ccc3)C#N)oc2C)OC	547
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CCO	95
+O=S(=O)(OCCc1c(oc(n1)-c2ccc(Cl)nc2)C)c3ccc(cc3)C	36
+c1cc(ccc1)-c2ccc(cn2)-c3nc(CCOc4ccc(c(c4)C)CCC(=O)OC)c(o3)C	8802
+OCc1ccc(C)c(n1)C#N	59
+Cc1c(nnn1-c2cc(Cl)c(F)cc2)C(Nc3ccnc(Cl)c3)=O	4484
+Cc1nc(sc1CO)-c2ccc(Cl)cc2OC	8803
+Cc1c(-c2csc(n2)Nc3cc(ccc3OC)Br)sc(C)n1	8804
+O=S(=O)(C)c1nc(c(C)c(n1)Cl)NCc2c(nc(C)s2)C	737
+c1c[n+](c(c2OCOc12)C)[O-]	103
+O=C1c2c(C(=O)N1C(CC(C)C)COc3cc4N(C(c5c(ccnc5C)-c4cc3)=O)C)cccc2	556
+Cc1c2c(ccnc2n(-c3ncccc3)n1)O	1220
+c1ccccc1CN2C(c3c(onc3C)N=C2CCC)=O	8805
+Cc1c2c(c[nH]c2ncn1)I	1996
+Cc1nn(C(C)c2cc(Cl)c(c(c2OC)-c3cnc(cc3)C#N)C)c4c1c(ncn4)N	2649
+c12c(c(c(c(n1)O)C)C)c(c(CC=C)cc2C)O	423
+Cc1c2c(O)c(cnc2n(-c3ncccc3)n1)C(=O)O	6
+n1cnc2c(c1Cl)cccc2C	64
+c1cc(ccc1S(=O)(=O)n2cc(c3c(ncnc23)C)I)C	276
+Nc1c(nc2c(cccc2C)c1)N	13
+c1cc(ccc1F)N2CCN(CC2)CCCN3C(c4c(cn(C)c4C(CC3)=O)C)=O	53
+Cc1c2c(nc(cc2CO)Br)n(C3CCCCO3)n1	217
+O=S(=O)(OCc1cc(Br)nc2n(nc(C)c12)C3CCCCO3)C	7
+c1cc(ccc1-c2nc3n(nc(c3c(CO)c2)C)C4CCCCO4)OCOC	119
+Cc1c2c3c(ccc2nn1C)CCC3=CC#N	2011
+Cc1c2cc(C(Nc3c(Cl)ccc(c3)C(=O)OC)=O)c(O)nc2nc(OC)n1	246
+Cc1c2cc(C(=O)O)c(O)nc2nc(OC)n1	6
+Cc1c2cc(C(Nc3c(Cl)ccc(C(=O)O)c3)=O)c(O)nc2nc(OC)n1	1
+FC(F)(F)C=1NC(=C(C#N)C(C=1C#N)c2cc3c([nH]nc3C)cc2F)CCC(F)(F)F	4601
+FC(F)(F)C1=C(C#N)C(c2ccc3c(c(C)[nH]n3)c2)C(=C(C(F)F)N1)C#N	4601
+O=S(=O)(C)OCC1CN(c2ccc3c(onc3C)c2)C(O1)=O	7
+Cc1c2ccc(cc2n(-c3ccnc(N)n3)n1)I	8806
+Cc1c2n(nc(-c3cc([N+]([O-])=O)ccc3)nc2-n4ncnc4)c(C)n1	8807
+c1c(OC)c(c(cc1Nc2nc(nn3c(nc(C)c23)C)-c4cc([N+](=O)[O-])ccc4)OC)OC	8808
+Cc1c2nc(C3C(C(Cl)=O)C3)nn2c(C)cn1	130
+c1(n2c(nc1C3C(c4nn5c(cnc(c5n4)C)C)C3)c6c(cc2)nccc6)C	8809
+Cc1c2nc(C3C(C(N(OC)C)=O)C3)nn2c(C)cn1	1080
+Cc1c2nc(C3C(C(=O)O)C3)nn2c(C)cn1	3
+c1cc(ccc1CNCc2c(-c3c(cccc3F)OC)nc4c(cccc4C)c2)OC	249
+Cc1c2nc(nn2c(C)cn1)CCc3ccc(c(n3)N)O	161
+Cc1c2nc(nn2c(C)cn1)CCc3ccc(c(n3)[N+]([O-])=O)O	3004
+c1c(c(c(OC)cc1)COc2ccc(-n3c(c(C)c(C)n3)C)cc2C)N4N=NN(C4=O)C	22
+C(Cl)(=O)c1ccc(C#N)cc1C	82
+NNC(c1ccc(C)cc1C)=O	296
+c1c(C)cc(C)c(O)c1-c2occc2	1752
+FC(F)(F)C=1C=C(N(Cc2c(cc(C)cc2)C)C(=O)C=1C#N)c3cccc(Br)c3	8810
+c1(cc(cc(C)c1C(=O)c2ccccc2C(O)=O)C)C	1943
+FC(F)(F)C(O)c1c(cccc1)-n2c(C)cc(C)n2	568
+c1cc(ccc1Cl)Nc2c3ncn(CC)c3nc(n2)-n4c(cc(n4)C)C	2963
+Cc1cc(cc(c1)C(=O)OC)COC(C)=O	283
+CCOP(OCC)(=O)Cc1c(C)cc(CCl)c(C)c1	1060
+c1(C(=O)O)cc(CO)cc(C)c1	1
+c1(C(O)=O)nn(Cc2cc(C)on2)c3ccccc13	1
+c1(Br)cc(C)cc2[nH]nc(N)c12	575
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OCC)-c4c(C(CC=Cc5cc(ccc5)C)O)c(no4)C	1046
+c12[nH]nc(-c3[nH]c4c(cc(C)c(c4)C)n3)c1cccc2	567
+c1(NC(Nc2cc(ccc2)-c3csc(-c4cncnc4N)n3)=O)cc(C)ccc1	124
+[N+](=O)(c1cc(OC)c(C)cc1OC)[O-]	77
+Cc1c(cc(C)c(c1)SC#N)O	2871
+COc1cc(C)ccc1Cl	297
+C(C(=O)O)COc1cc(C)ccc1F	4602
+OB(O)c1c(C)cc(C)c(OCCC=C)c1	422
+c1(c(C)cc2c[nH]nc2c1)[N+]([O-])=O	1559
+Cc1cc(cc(C)c1)-c2c(C(C)CN)c3c(ccc(C(C)(C)C(=O)OCC)c3)[nH]2	3005
+c1(C)cc(cc(C)c1)C(c2cc(C)cc(C)c2)N3C=CC=C(C3=O)C(OC)=O	4600
+c1c(C)cc(cc1C(c2cc(C)cc(c2)C)O)C	257
+c1cc(ccc1C(C(=O)O)=Cc2cc(C)cc(C)c2)O	3006
+c1cc(ccc1S(=O)(=O)N)N=Cc2cc(C)cc(c2)C	457
+c1(cc(cc(C)c1S(=O)(=O)Cl)NC(=O)C)C	240
+c1ccccc1Nc2cc(C)cc(C)c2	8811
+Cc1cc(cc(C)c1)Nc2c(C(N)=O)c(SC)nc(SCC)n2	2529
+Cc1cc(cc(C)c1)Nc2nc(SCC)nc(c2C(=O)N)S(=O)C	1056
+Cc1cc(cc(C)c1)Nc2cc(Cl)nnc2C(N)=O	314
+c1c(C)cc(cc1OCC(=O)C)C	86
+c1c(C)c(c(cc1OCC2COC(C)(C)O2)C)-c3c(C)c(ccc3)C=O	760
+Cc1cc(cc(C)c1-c2c(nn3c(cc(C)nc23)NCCN)C)Cl	1005
+Cc1cc(cc(C)c1-c2c(C)nn3c(cc(nc23)C)Cl)Cl	1591
+c1c(C)c(c(cc1OCc2ncco2)C)-c3c4CCC(c4c(cc3)F)Oc5ccc6c(c5)OCC6CC(OC)=O	4151
+Cc1cc(cc(C)c1-c2cccn3c2cc4nc(C)nc(c34)Cl)C	1268
+c1(cc(cc(C)c1-c2cccc(CNc3ccc(c(c3)F)CCC(O)=O)c2)OCCOCC)C	3
+Cc1cc(cc(C)c1-c2cc(CO)ccc2)OCC3(CCSCC3)O	41
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(c3ccc(cc3)C(=O)O)C(C)C	1
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(c3ccc(cc3)C(NCC(C(=O)O)O)=O)C(C)C	4
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(c3ccc(cc3)C(=O)NCC(O)C(OC)=O)C(C)C	14
+Cc1cc(cc(C)c1-c2c(C)c(ccc2)C(=O)N(C)OC)OCC3COC(C)(C)O3	280
+Cc1cc(cc(C)c1-c2cccn3c4c(nc(C)nc4NCCN)cc23)C	8812
+c1cnccc1C(Nc2scc(-c3c(C)cc(cc3C)O)n2)=O	900
+Cc1cc(cc(C)c1-n2c3nc(C)nc(c3c(c2)C)O)C	8813
+Cc1cc(cc(C)c1-n2c(nc3c(NCCCl)cc(C)nc23)C)C	15
+c1c(C)c(c(cc1C)C)-n2c3nc(C)nc(Cl)c3c(C)c2	1032
+c1c(C)c(c(cc1NC(=O)C)C)-c2csc(N)n2	2579
+c1c(C)c(c(cc1Cl)C)-c2csc(N)n2	354
+Cc1cc(cc(C)c1-c2csc(N)n2)O	354
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)(C(=O)N)N)NC	527
+C1CN(CCC1(N)C#N)S(=O)(=O)C=Cc2c(C)cc(cc2C)N3C(NC(=O)C3(C)C)=O	661
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)(N)C#N)NC	661
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)=O)N3C(NC(=O)C3(C)C)=O	97
+c1c(C)c(c(cc1OCc2ccccc2)C)CO	41
+c1c(C)c(c(cc1Br)C)CC(=O)C=Cc2ncccc2	8814
+c1(C)cc(cc(C)c1CC(=O)N(C)OC)Br	164
+Cc1cc(cc(C)c1Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)NC(C(=O)O)=O	1581
+c1c(C)c(c(cc1CO)C)Cc2ccc(c(c2)C(C)C)OCOC	98
+FC(F)(F)c1[nH]c2c(Br)cccc2c1CCCOc3cc(C)c(c(C)c3)Cl	20
+Cc1cc(cc(C)c1Cl)OCCCc2c3c(c(ccc3)Br)[nH]c2	20
+Cc1cc(cc(C)c1Cl)OCCCc2c(C(OCC)=O)[nH]c3c(cccc23)-c4ccco4	8815
+Cc1cc(cc(C)c1Cl)OCCCc2c3cccc(-c4ccco4)c3[nH]c2C(=O)O	6
+Cc1cc(cc(C)c1Cl)OCCCc2c([nH]c3c2cccc3-c4ccco4)C(NS(=O)(=O)c5ccccc5)=O	3007
+c1cc(ccc1)OCc2nn(c(C)c2-c3c4c(c(CCCOc5cc(C)c(c(C)c5)Cl)c[nH]4)ccc3)C	20
+c1ccccc1COc2cc(Oc3c(C)cc(cc3C)[N+]([O-])=O)ccc2OC	415
+O=S(=O)(NC(=O)c1cc2ccc(C#N)cc2n1Cc3c(C)cc(cc3C)C)c4cccc([N+](=O)[O-])c4	3007
+Cc1cc(cc(C)c1F)C(NCCc2ccc(cc2)C(C)C)=O	93
+CC(C)c1cc2c(CCN=C2c3cc(C)c(c(c3)C)F)cc1	1753
+Cc1cc(cc(C)c1NC(=O)c2sccc2NS(=O)(=O)c3ccccc3)C	864
+c1c(C)c(c(cc1C(=O)O)C)NC(c2cc(N3CCC(CC3)O)nc4ccccc24)=O	1
+Cc1cc(cc(C)c1Nc2nc3cc(cc(c3s2)[N+](=O)[O-])C(=O)O)C	1
+Cc1cc(cc(C)c1Nc2nc3cc(cc([N+]([O-])=O)c3s2)CCl)C	2164
+c1(cc(cc(C)c1Nc2sc3c(cc(cc3[N+](=O)[O-])C)n2)C)C	8816
+Cc1cc(cc(C)c1Nc2nc3cc(cc([N+](=O)[O-])c3s2)CO)C	49
+c1c(C)c(c(cc1-c2oc3c(n2)cnc(Oc4c(cccc4)F)n3)C)O	893
+c1c(C)c(c(cc1C)C)Oc2nc(cc(c2C)Cl)C	136
+c1cc(ccc1)Cn2c3c(nc(N)nc3Oc4c(cc(cc4C)C)C)cc2	1438
+Cc1cc(cc(C)c1O)CN	107
+c1(C)cc(cc(C)c1Oc2nc(Cl)nc3c2n(cc3)C)C#N	1438
+c1cc(ccc1)Cn2c3c(nc(N)nc3Oc4c(C)cc(cc4C)C#N)cc2	1438
+Cc1cc(cc(C)c1Oc2c3c(nc(Cl)n2)cc[nH]3)C4CC4	1438
+c1c(C)c(c(cc1CC(O)=O)C)O	459
+CC1(C)C2Cc3c(c(sc3C(NCc4cc(C)c(c(c4)C)OCC(O)CO)=O)C)C12	72
+c1(cc(cc(C)c1OC)C=O)C	39
+Cc1cc(cc(C)c1OCC(=O)NN)-c2ncccc2	8817
+c1(C)cc(cc(C)c1OCC(O)=O)-c2nc(O)c3c(OC)cc(OC)cc3n2	748
+Cc1cc(cc(C)c1OCC(NN)=O)Br	561
+Cc1cc(cc(C)c1OCC(O)=O)C=O	4
+Cc1cc(cc(C)c1OCCO)Br	44
+c1(cc(cc(C)c1OCCCC)CC=O)C	1292
+c1c(C)c(c(cc1-c2ccc(cc2)C(O)=O)C)OCCO	11
+c1cc(ccc1Nc2nc(Oc3c(C)cc(cc3C)Br)c(c(C)n2)[N+](=O)[O-])C#N	55
+Cc1cc(cc(C)c1Oc2c3c(cc[nH]3)nc(Nc4ccc(cc4)C#N)n2)C5CC5	744
+Cc1cc(cc(C)c1Oc2ccc(OC)c(Oc3ccccc3)c2)[N+]([O-])=O	472
+c1c(C)c(c(cc1CO)C)Oc2nc(cc(NC(CC)CC)c2C)C	41
+c1(C)cc(cc(C)c1Oc2nnc(Cl)c(C(C)C)c2)CC(=O)O	4
+O=S(=O)(c1c(C)cc(cc1C)C)NC(C)Cc2c[nH]c3ccccc23	71
+c1cc(ccc1COC2CCCCO2)Cc3c(C)nc(nc3OS(=O)(=O)c4c(cc(cc4C)C)C)N	4603
+Cc1cc(cc(C)c1S(=O)(=O)N)Nc2nc(c(Br)cn2)NC(CO)C	55
+Cc1cc(cc(C)c1S(=O)(=O)N2C(COS(=O)(=O)C)CCCC2)OC	7
+Cc1cc(cc(C)c1[N+](=O)[O-])CO	49
+FC(F)(F)C(c1cc(C)c(c(c1)C)[N+](=O)[O-])O	714
+Cc1cc(cc(C)c1[N+](=O)[O-])C=O	39
+c1(C)cc(cc(C)n1)C=O	39
+Cc1cc(CO)cc(c1)C(=O)OC	59
+c1(Oc2cnc(cc2)[N+]([O-])=O)cc(C)cc(NC(c3cc(nn3C)C)=O)c1	706
+c1(cc(C)c(F)c(c1)C(=O)O)-c2cc(F)ccc2	11
+c1(ccc(cc1OCCc2cc(C)ccc2)C(=O)OC)Br	126
+c12C(=CNc3[nH]nc(c3)Cc4cc(ccc4)C)C(Nc1cccc2)=O	4604
+n1cnc(Nc2cccc(C)c2)cc1Nc3cccc(c3)O	73
+c1c(cc(cc1)Oc2cc(C)ccc2)C=O	304
+Cc1cc(ccc1)OCC(C)N	733
+C(c1cc(C)c(-c2scc(C)n2)cc1)(=O)O	1
+FC(F)(F)S(=O)(=O)Oc1ccc(C(=O)C)c(c1)C	166
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(C)c(CC(=O)OC)cc3)C)c(C(C)C)n2	20
+C1CC(CCC1)N(C(=O)Nc2c(cc(cc2)C(=O)OC)C)c3c4ccccc4nn3-c5ccccc5	1587
+c1c(c(C)cc(c1)OC)-n2c(nc3ccccc23)-c4c(Cl)cccc4	8818
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	331
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(N)=O)n(C)n4	1612
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(O)=O)n(C)n4	6
+c1cc(ccc1OC)Cn2cc(nn2)-c3ccnc(c3)Nc4nc(Br)cc(C)c4	834
+c1c2c(c(F)cc1)CC(C)N2	8819
+c1cc(ccc1Cl)Sc2c3c([nH]c2C)cccc3[N+](=O)[O-]	8820
+c1ccccc1COc2ccc(cc2)-n3c4ccc(F)cc4cc3C	2787
+FC(F)(F)c1oc(CN2c3c(cc(C)cc3)C4(C2=O)COc5cc6c(cc45)OCO6)cc1	8821
+FC(F)(F)C(=O)c1c[nH]c2c1ccc(C)c2	531
+c1(OCC2CO2)c3cc(C)[nH]c3ccc1	3507
+c1ccccc1Cn2c3c(c(ccc3)OC)cc2C	190
+c1(c(ccc(C)c1)-c2cnn(C)c2)C(=O)O	1
+Cc1ccc(c2c1nc[nH]2)C	631
+n1c(N)cc2CCCCn12	899
+c1cc(ccc1F)-n2nc(N)cc2I	899
+c1cc(ccc1)-n2c(cc(N)n2)I	899
+CONCc1ccc(C)c(c1)F	1059
+Cc1cc(Br)c(F)c(C(=O)O)c1	634
+Nc1ccc(C)cc1C#N	0
+Cc1ccc(c(C(=O)N)c1)[N+]([O-])=O	169
+C(c1cc(c(cc1)[N+]([O-])=O)F)(=O)O	820
+O=S(=O)(c1c(ccc(C)c1)[N+]([O-])=O)O	8822
+Cc1ccc(N)cc1-c2ccc(C(=O)CC)cc2C	0
+Cc1ccc([N+]([O-])=O)c(C#N)c1	274
+Nc1c(C(=O)N)cc(C)cc1	0
+Clc1cc(C)c(I)cc1C(=O)O	235
+C(c1ccc(c(Cl)c1)[N+]([O-])=O)(=O)O	820
+c1(c(ccc(c1I)C)C#N)F	1202
+c1(c(c2[nH]cnc2c(C)c1)C)[N+]([O-])=O	8823
+N(O)C(c1cc(c(C)cc1)F)=N	181
+c1(c2[nH]c3CCN(Cc3c2ccc1)C)C=Cc4ccc(C)nc4	8824
+c12ccc(C)c([N+]([O-])=O)c1ccnc2Cl	174
+Cc1ccc2c(ccc(NC(C)=O)n2)c1	4605
+c1cc2c(ccc(C)c2[N+]([O-])=O)nc1Cl	1804
+Nc1c(C)ccc2nc(C)ccc12	0
+C(C)(c1c(c(C)ccc1)I)O	74
+O=C(N)c1cccc(C)c1Br	169
+c1c(CO)c(c(C)cc1)I	49
+c1c(C)c(c(cc1)C)-c2c(c(ccc2)CO)C	98
+c1c(C)c(c(cc1)C)-c2ccc(F)c(CO)n2	453
+Cc1cccc(C)c1-c2nc3c(c(OC)n2)CNCC3	25
+Cc1cccc(C)c1-c2nc3n(cc(CO)cc3)n2	88
+Cc1cccc(C)c1-c2nc3ccc(COC)cn3n2	382
+Cc1cccc(C)c1-c2nn3c(ccc(CCl)c3)n2	447
+c1cc(ccc1OCc2cn3c(cc2)nc(n3)-c4c(C)cccc4C)C(CC(=O)OCC)C#CC	751
+c1(cccc(C)c1CCCO)C	213
+Cc1cccc(C)c1C(CO)CN	51
+Cc1cccc(C)c1COc2c(c(ccc2)CO)C	217
+Cc1cccc(C)c1COc2c(ccc(CC(=O)O)c2)C	3
+Cc1cccc(C)c1COc2c(C)c(ccc2)Cc3nnn[nH]3	420
+Cc1cccc(C)c1COc2cccc(CC#N)c2C	163
+c1(cccc(C)c1N2C(c3ccc(cc3)I)=NCC2)C	8825
+Cc1cccc(C)c1NS(=O)(=O)c2ccc(cc2)C	69
+c1cc(ccc1)C(=O)N(c2c(cccc2C)C)CC(C)Cl	8826
+c1(C)cccc(C)c1N(CC(C)OS(=O)(=O)C)S(=O)(=O)C	7
+C1CN(CCN1)CCC(=O)Nc2c(C)cccc2C	62
+Cc1cccc(C)c1N(CC(C)O)C(c2ccccc2)=O	448
+c1(cc(cc(C)c1NS(=O)(=O)c2ccc(cc2)C)[N+]([O-])=O)C	77
+Cc1ccccc1-c2c(C(=O)O)ccc([N+]([O-])=O)c2	1
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(no3)-c4cc(F)c(C(OC)=O)cc4	529
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(-c4cc(CO)ccc4)no3	529
+Cc1ccccc1-c2c(COC)cc(C(=O)O)cc2	1
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(no3)-c4cc(F)c(cc4)C(=O)O	1
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(no3)-c4cc(c(C(N(CC(=O)OC)C)=O)cc4)F	4171
+Cc1ccccc1-c2c(Cl)cccc2O	5
+Cc1ccccc1-c2c(O)c(CC=C)ccc2Cl	423
+O(C)c1cc(F)c(cc1I)-c2c(C)cccc2	184
+Cc1ccccc1-c2c(ccc(C=CC)c2O)Cl	4606
+Cc1ccccc1-c2c(ccc(N)c2)C(=O)NC(CCSC)C(=O)OC	0
+Cc1ccccc1-c2c(ccc3c2OC(CN)C3)F	18
+c1cc(ccc1S(=O)(=O)OCC2Oc3c(-c4c(cccc4)C)c(F)ccc3C2)C	36
+ClC(Cl)(Cl)C(c1ccc2CN(C(=O)c3ccc(cc3OC)-c4ccccc4C)c5c(Cn12)cccc5)=O	1053
+ClC(Cl)(Cl)C(c1ccc2n1Cc3c(cccc3)N(C(=O)c4cccc(-c5c(cccc5)C)c4)C2)=O	1053
+c1ccccc1COc2ccc(cc2CC=C)-c3ccccc3C	22
+Cc1ccccc1-c2ccnc(c2)C(NO)=N	958
+Cc1ccccc1-c2cc(C=3NOC(=O)N=3)ncc2	1988
+Cc1ccccc1-c2nc(C)sc2C(O)=O	6
+Cc1ccccc1-c2nc(C)sc2NC(c3c4nc(N)ccn4nc3)=O	8827
+c1(C)nc(cc(C)c1)Cl	4466
+c1cc(ccc1Br)Cc2cc(C)c(s2)C	8828
+Cc1n[nH]c2-c3c(ccc(Cl)c3)N(CC(CNC)O)C(c12)=O	747
+Cc1n(C2CCCCO2)nc-3c1C(=O)N(CC(CNC)O)c4ccc(Cl)cc-34	122
+Cc1n(C2CCCCO2)nc-3c1C(N(c4ccc(C#CC=O)cc-34)CC)=O	2628
+Cc1n(C2CCCCO2)nc-3c1C(N(c4ccc(-c5ccc(C=O)s5)cc-34)CC)=O	1373
+Cc1n(c(C)nc1I)-c2ccnc(O)c2	8829
+Cc1n(c(nc1C#Cc2cccc(Cl)c2)C)-c3ccnc(O)c3	4607
+Cc1n(c(nc1C#Cc2cccc(C)c2)C)-c3ccnc(O)c3	4607
+Cc1n(c2c(ccc(c2)O)c1C(NC)=O)CC	5
+Cc1n(C2CCCCO2)nc-3c1C(=O)N(c4ccc(Cl)cc-34)CC5CO5	8830
+Cc1n(nc2c1c(O)nc3ccc(Cl)cc23)C4CCCCO4	2614
+c1cc(ccc1F)COC2=CC(N(c3ccc4c(c(C)n(C)n4)c3)C=C2)=O	8831
+c1cc(ccc1)COC2=CC(N(c3ccc4c(c(C)n(C)n4)c3)C=C2)=O	1614
+Cc1n2c(nc1CO)ccc(Cl)n2	2068
+Cc1c(C=O)nc2n1nc(cc2)Cl	614
+c12c(cc(NC(=O)c3[nH]nc(C)c3C)cn1)cc(I)[nH]2	510
+Cc1c(OC)ccc(-n2c(c(C)c(C)n2)C)c1	1158
+Cc1n(nc2c1c(O)nc3ccc(Cl)cc23)C4OC=CCC4	8832
+Cc1n(nc2c1c(O)nc3ccc(I)cc23)C4CCCCO4	8833
+Cc1c2ccc(cc2n(-c3ccnc(N)n3)n1)Br	2973
+O=S(=O)(C)c1cc2c(C)cn(NC(c3cnc(nc3C)-c4cccc(F)c4)=O)c2cc1	4608
+Cc1nc(-c2cc(F)ccc2)ncc1C(Nn3c4c(cc([N+]([O-])=O)cc4)cc3)=O	4608
+Cc1nc(-c2cc(F)ccc2)ncc1C(=O)O	6
+c1cc(ccc1)C(=O)Nc2ccc3c(c2)ccn3NC(=O)c4c(nc(-c5cccc(F)c5)nc4)C	50
+Cc1nc(-c2cc(F)ccc2)ncc1C(Nn3c4c(cc(N)cc4)cc3)=O	0
+Cc1nc(-c2ccc(C)cc2F)sc1CO	1503
+Cc1nc(-c2ccc(C)cc2F)sc1CCl	8834
+Cc1nc(-n2nnnc2)ccc1C(C)C(=O)O	3
+Cc1nc(nc(c1C)Cl)CCCC	64
+Cc1nc(nc(Cl)c1CC)CCCC	64
+c1cc(ccc1S(=O)(=O)N(C)Cc2c(Cl)c(C(=O)N3CC(C(NCc4onc(C)n4)=O)Oc5ccccc35)sc2)Cl	4609
+Cc1nc(Cl)c(c(NC(C)CO)c1C)[N+]([O-])=O	105
+Cc1nc(Cl)c(c(NCCOCCCc2nccs2)c1C)[N+]([O-])=O	105
+c1ccccc1CN2CCC(CC2)CCNc3c(c(C)nc(c3[N+]([O-])=O)Cl)C	105
+c1cc(ccc1)Oc2c(c(c(c(n2)C)C)NCCCCCO)[N+]([O-])=O	136
+n12nnnc1c(c(NCCCO)c(c2C)C)[N+]([O-])=O	8835
+c1cc(ccc1)Oc2c([N+]([O-])=O)c(NCCOCCCc3cnccc3)c(C)c(n2)C	136
+c1cc(ccc1)Oc2c([N+]([O-])=O)c(NCCOCCCc3sccn3)c(C)c(n2)C	136
+Cc1nc(Cl)c(C(=NO)N)c(c1Cl)C	4610
+Cc1nc(Cl)c(-c2noc(-c3cc(OC)c(O)c([N+]([O-])=O)c3)n2)c(c1Cl)C	8836
+Cc1nc(c(cc1C(=O)OCC)C#N)NC2CCC(C(=O)O)C2	70
+C1CC(CCN1c2c(C#N)cc(C(=O)OCC)c(n2)C)S(=O)(=O)NS(=O)(=O)Cc3ccccc3	43
+c1cc(ccc1)Cc2[nH]c(nn2)C3CCN(CC3)c4c(C#N)cc(C(=O)OCC)c(C)n4	43
+FC(F)(F)c1ccc(cc1)CNc2nc(C)c(c(N)n2)[N+]([O-])=O	96
+c1(nc(N)nc(C)n1)-c2cccnc2F	2234
+n1cc(OC)cc(-c2nc(N)nc(C)n2)c1F	2234
+n1cc(cc(-c2nc(N)nc(C)n2)c1F)OCCOC	2234
+Cc1nc(N)nc(NCCCCC)c1CCCNCc2cc(ccc2)OCC(OC)=O	42
+C(Nc1c(c(nc(N)n1)C)CCCNCc2cc(CC(OC)=O)ccc2)CCCC	42
+c1cc(ccc1CC(=O)O)CC(=O)NCCCc2c(nc(N)nc2C)NCCCCC	9
+O=S(=O)(C)OCCCOc1ccc(Cc2c(C)nc(nc2NC(CCC)CCOC(=O)C)N)c(OC)c1	7
+O=S(=O)(c1cc(c(F)cc1)F)Nc2ccc(N3CCC(C3)N4CCCC4C)nc2C	322
+Cc1nc(N2CCC(N3C(C)CCC3)C2)ccc1N	13
+Cc1nc(c(C(=O)N)cc1-c2csc(n2)C)O	1869
+Cc1nc(O)c(C#N)cc1-c2csc(n2)C	8837
+C1C(CC1O)COc2ccc(c(C)n2)Br	8838
+O(c1c(cc(CC)c(C)n1)C=O)C	200
+Cc1nc(OC)ccc1N=C=S	4611
+Cc1nc(OC)ccc1Nc2nc3c(Cl)ccc(C(=O)OC)c3n2CCCO	8839
+c1(C)nc(OC)ccc1N2CCCn3c4c(c(Cl)ccc4C(=O)OC)nc23	2394
+Cc1nc(OC)ccc1N	13
+Cc1nc(OC)c(CO)cc1CC	295
+c1cc(ccc1)CS(=O)(=O)NC(C2CC(CC2)Nc3c(cc(C(=O)OCC)c(n3)C)C#N)=O	344
+O(c1c(C(=O)O)cc(F)c(C)n1)C	1
+c1cc2c(cc1)c(c(nc2Cl)C)[N+]([O-])=O	137
+Cc1nc(c2ccc(OC)cc2c1Br)Cl	137
+c1cnc(Cl)cc1-n2cc(nc2C)C#Cc3cccc(C)c3	8840
+Cc1nc(cc2c3ccc(O)cc3[nH]c12)O	5
+Cc1nc(ccc1C(Nc2ccc(Cl)c(-c3ncccc3)c2)=O)Cl	246
+Cc1nc(-n2nccc2)ccc1C(Nc3ccc(Cl)c(-c4ncccc4)c3)=O	1706
+Cc1nc(Oc2cccc(c2)CC(OC)=O)ccc1C=O	136
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)Nc2ccc(c(C)n2)COCC)Cl	2165
+Nc1c(cc(Cl)c(C)n1)[N+](=O)[O-]	475
+c1c(C)c(c(cc1)C)-c2ccc(F)c(n2)C	119
+c1(cccc(F)c1-c2ccc([N+](=O)[O-])c(C)n2)F	119
+Cc1nc(ccc1[N+]([O-])=O)CO	453
+O=S(=O)(OCc1nc(C)c(cc1)[N+]([O-])=O)C	7
+Cc1nc(N2CC(NCC2)C)ccc1[N+]([O-])=O	43
+c1(C)nc(nc(C)c1)-c2ccc(cc2)Cl	345
+C1CN(CCC12CCCN(Cc3c(cccc3)-n4nccn4)C2=O)c5nc(C)cc(C)n5	117
+Cc1nc(nc(C)c1)NCCCCCNCCC#N	1287
+Cc1nc(nc(C)c1)NCCCCCN(C(=O)CCCCCCCCCCCCC)CCCN	51
+Cc1nc(nc(C)c1C)Cl	740
+Cc1nc(nc(C)c1OCc2ccccc2)-n3c(ccc3C)C	3916
+c1(ccc(C)n1-c2nc(C)c(c(n2)CCCCCCCCCCOCc3ccccc3)OCc4ccccc4)C	3008
+Cc1nc(nc(N)c1CC)CCCC	266
+Cc1c(c(nc(n1)NCc2ncccc2)Cl)C	8841
+Cc1nc(nc(N)c1C)CCCC	266
+Cc1c(sc(-c2ccc(Cl)cc2OC)n1)C(=O)O	6
+c1cc(ccc1Cn2ccc(-c3sc(C(NCc4cnccc4)=O)c(C)n3)n2)Cl	309
+c1ccccc1C(C)(C)Cn2nc(-c3sc(C(NCc4cnccc4)=O)c(C)n3)cc2	2441
+c1ccccc1Cn2c3C(=O)NC(=O)N(C)c3nc2C	371
+O(C)c1c2c(c(Cl)cc1C(=O)O)[nH]c(C)n2	1
+O=S(=O)(Nc1c2c(c(Br)sc2nc(C)c1C(=O)OCC)C)c3cccc(Cl)c3	69
+Cc1c(C(=O)O)c(c2c(c(Br)sc2n1)-c3cc(ccc3)OC)N	6
+Cc1c(C(=O)O)c(N)c2c(c(sc2n1)C)Br	6
+Cc1nc2c(c(Br)cc(N)c2)[nH]1	0
+c1(c2c(cccc2)ccc1)Cn3c4cc(cc(c4nc3C)[N+]([O-])=O)Br	505
+c1c(cn2c(nc(C)c2C(=O)OCC)c1OCc3c(F)c(ccc3F)F)C	2953
+c1(c2nc(C)c(n2cc(C)c1)C(=O)OCC)OCc3c(c(ccc3F)OC)F	2953
+c12cccnc1NC(C23Cc4c(C3)cc5nc(C=O)ccc5c4)=O	501
+c1c(F)c(F)cc2c1nc(C=Cc3cccc(c3)C=O)cc2	3990
+Cc1nc2ccc(N)c(c2[nH]1)C	0
+FC(F)(F)c1c(cccc1)-c2c(nc3c(c(Cl)ccc3)n2)C	2235
+c1cc(cc(c1)-c2c(C)nc3c(c(Cl)ccc3)n2)F	2235
+Cc1c(nc2c(cccc2Br)n1)F	8842
+Cc1nc2n(nc(-c3cc(Cl)ccc3)c2)c(Cl)c1C(O)C(OC)=O	4612
+c1cc(ccc1CNc2nccn3c2nc(C)c3Br)S(=O)(=O)N	3926
+Cc1nc2nc(SC)ncc2cc1-c3cc(c(cc3Br)F)NC(=O)OC(C)=C	2922
+O(C)c1c(CO)cnc(C)c1Cl	295
+COc1c(Cl)c([n+](cc1C)[O-])C	341
+c1(C)cc(C)c[n+](c1C)[O-]	341
+C(c1cc(C)c(C)nc1)c2c(nc(NCCCCc3c(cc(cn3)Br)C)nc2)O	1898
+Cc1c2c(-c3ccc(Cl)cc3OC2)ccn1	57
+c1(c([n+](ccc1C)[O-])C)CCl	103
+Cc1nccc(C)c1CCl	447
+c1cc(ccc1OC)-n2nc(c3c(cc(nc23)C)C(Nc4c(C)nccc4C)=O)C	487
+c1cc2[nH]c3c(ccnc3C)c2cc1-c4cccc(C#N)c4	11
+O=S(=O)(c1nc(-c2c(-c3ccc(F)cc3F)nc4n2ccnc4C)ccn1)C	528
+Cc1nccn2c(ccc12)C#N	8843
+Cc1nccn2c(ccc12)C(=O)N	2835
+Cc1nccn2c(-c3nc(SC)ncc3)c(nc12)-c4ccc(cc4F)F	4613
+Cc1c(cn(-c2cccnc2)n1)C(=O)O	6
+Cc1nn(C(C)c2cc(Cl)c(c(c2OC)-c3cc(ncc3)C(=O)O)C)c4c1c(ncn4)N	876
+Cc1nn(C(C)c2cc(Cl)c(c(c2OC)-c3cnc(cc3)C(=O)O)C)c4c1c(ncn4)N	876
+FC(F)(F)c1ccc(cc1)-c2c(C)nn(c2-c3ccc4c(c3)NC(CO4)=O)C	800
+FC(F)(F)c1cc(-c2c(-c3cc4NC(COc4cc3)=O)n(nc2C)C)ccc1	800
+Cc1c(CO)cn(n1)-c2c(cccc2F)-c3nccn3C	536
+Cc1nn(C)cc1N2C(Nc3cnc4ccc(cc4c23)Br)=O	8844
+Cc1nn(cc1Nc2c(N)cnc3ccc(cc23)Br)C	13
+c1(cc2n(c(OCc3c(F)c(ccc3F)F)c1)nc(C)c2C(=O)OCC)C	3484
+Cc1nnc(c2ccc(O)cc12)Cl	5
+Cc1nnc(c2ccc(OC)cc12)Cl	218
+c1cc(ccc1C(c2ccc(cc2)F)(Cc3nnnn3C)O)F	8845
+Cc1nnsc1C(=O)c2[nH]c3ccc(Cl)cc3c2CC(=O)O	4
+c1ccccc1Cn2c3ccc(cc3c4c(cc(cc24)-c5c(C)onc5C)C(=O)OC)OC	8846
+Cc1noc(C)c1-c2cc3[nH]cnc3c(I)c2	631
+Cc1noc(C)c1-c2cc(N)c(N)c(I)c2	0
+Cc1noc(C)c1-c2cc(-c3c4cccnc4ccc3C)c5c([nH]cn5)c2	8847
+Cc1noc(C)c1-c2ccc3C(C=C(N(c4ccc(cc4F)F)c3c2)C=O)=O	8848
+Cc1noc(C)c1-c2ccc3C(C=C(CO)N(c4ccc(cc4F)F)c3c2)=O	8849
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccc(-c4cc(c(C)o4)C(OC)=O)cn3)=O)c2	330
+Cc1oc2cc(ccc2c1C(NC)=O)Nc3nc(Cl)ncc3	73
+n1ccc(Oc2cc3oc(C)c(C(NC)=O)c3cc2)nc1Nc4cccc(OC)c4	55
+Cc1oc2cc(Oc3ccnc(n3)Cl)ccc2c1C(NC)=O	185
+Cc1c(COc2nnc(cc2)Cl)c(no1)-c3cc(F)ccc3	485
+Cc1onc(-c2ccc(cn2)F)c1CO	903
+Cc1c(COc2cnc(cc2)C(=O)OC)c(no1)-c3ccc(cn3)F	981
+Cc1onc(-c2ncccc2)c1CO	903
+Cc1c(COc2cnc(cc2)C(=O)OC)c(no1)-c3ncccc3	981
+Cc1onc(-c2cc(F)ccc2)c1CO	903
+Cc1onc(c1CNc2ccc(C(=O)O)cn2)CCCC	1
+c1c(OC)c(c(cc1NC(=O)CN2CCCC(N3c4c(-c5noc(C)c5C3=O)c(ccc4)Cl)C2)OC)OC	1228
+C(Cl)(=O)N1C(C)CCCC1	8850
+Clc1cc(c(c(Cl)c1)Cl)Br	594
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(C)c2F)c1	594
+FC(F)(F)CNc1ncc(Cl)cc1C(=O)OCC	4614
+FC(F)(F)c1cccc(c1)-c2c(C)c(Br)cnc2Cl	1655
+FC(F)(c1ccc(F)c2ccccc12)C(=O)Nc3ccc(Cl)c(CCO)c3F	594
+N#Cc1cc(cnc1Cl)C#N	1655
+C1(C(Nc2c(c(Cl)c(cc2N1)Cl)C#N)=O)=O	594
+Clc1c(c2c(cc1)nc(C)cc2)Cl	8851
+O=S(=O)(Cl)c1cc(C)c(cc1)Cl	929
+O=S(=O)(Cl)c1cc(c(Br)cc1)C#N	929
+O=S(=O)(Cl)c1ccc2nc(ccc2c1)O	929
+Clc1cc(Br)c2c(cccn2)c1	594
+c1(cc(cc(OC)c1Cl)Br)OC	594
+O=S(=O)(c1cc(ccc1)Oc2ccccc2C(C(OC)=O)=COC)Cl	929
+Clc1c(Cl)nc(c(Cl)n1)C(OC)=O	8852
+O=S(=O)(Cl)c1ccccc1OS(=O)(=O)C	929
+O=S1(=O)N=CN(C2CCC2)c3ccc(Cl)cc13	594
+O=S(=O)(Cl)c1cc(C#N)cc(c1)[N+](=O)[O-]	929
+O=S(=O)(c1cc(ccc1)-c2cc(nc(OC)n2)NCCc3ccc(cc3)OC)Cl	929
+c1ccccc1Cc2ccc(cc2)S(=O)(=O)Cl	929
+c1ccccc1CSc2c(c(S(=O)(=O)Cl)cc(C(=S)O)c2)-c3ccccc3	929
+O=S(=O)(c1cnc(cc1)OC)Cl	4553
+Cc1c(nc(-c2cc(ccc2)C#N)o1)CCl	8853
+c1ccccc1-c2nn(c3nnc(-c4ccccc4)c(c23)Cl)CC(O)=O	8854
+c12c(cc(C)c(Cl)c1)OC(C3=C2CCNC3)=O	594
+c1(c(C)c([n+](cc1C)[O-])C)Cl	8855
+c1(C)cc(Br)c(Cl)cc1F	594
+Clc1c(O)ncc(c1)[N+](=O)[O-]	4614
+c1(ccnc(CCl)c1)C(=O)OC	8856
+c1c2c(ccc1OC)c([n+](cc2)[O-])Cl	8857
+c1(cc(cc(C)c1C(C)=O)Cl)C	594
+c1(c(Cl)ccnc1O)-c2nc3c(c(C)cc(c3)Br)[nH]2	8858
+c1cc(ccc1)C(n2c3ccccc3cc2)CCCl	1518
+c1cc(ccc1-c2scc(n2)CSc3c(C#N)c(N4CCCCC4)c(C#N)c(n3)Cl)Cl	1655
+c1cc(ccc1-c2scc(n2)CSc3nc(c(C#N)c(c3C#N)-c4ccccc4)Cl)Cl	1655
+C1CN(CCN1C(=O)OCC)CC(c2ccc(cc2)F)Cl	4562
+c1cc(ccc1F)C(Cl)c2ccc(cc2Cl)Cl	8859
+c1ccccc1-c2cc(C(=O)OCC)c(Cl)[nH]2	8860
+c1cc(ccc1)C(CCCl)O	1518
+c1ccccc1CN2CCc3c(ncnc3C2)Cl	4346
+c1(Cl)sc2c(cnnc2O)n1	8861
+n1c(c2c(C3C(C2)C3)n1-c4nccc(Cl)c4)C(OCC)=O	8862
+c1nc(ncc1C#N)Cl	8863
+c1(cccc(c1)N2c3ccc4c(cccc4)c3NC(CC2=O)=O)C#N	8864
+c1c(c(cc(c1)NC(CC(OC)=O)=O)F)OCc2cccc(F)c2	3486
+O=C(O)CNC(COc1nc(c(Cl)cc1Cl)F)=O	726
+ClC(Cl)(Cl)C(=N)OCc1c(Cl)cc(c(F)c1)Br	1664
+c1ccccc1COC(NC(C(=O)OC)COCC=C)=O	8865
+ClC(Cl)(Cl)C(N1CCN(CC1)c2cc(ccc2OC)S(=O)(=O)Nc3c(c(cc(c3)Cl)Cl)OC)=O	69
+c1cc(ccc1OC)C(c2cc3c(nc(nc3cc2)O)-c4cccc(Cl)c4)=O	3009
+C(C)OC(=O)c1cc(n2CCOCc12)C(=O)O	8866
+FC(F)Cn1c(c([N+]([O-])=O)cn1)Cl	2706
+c1cc(ccc1F)-c2cnc(Cl)o2	2138
+c1(Cl)n(C)ncc1[N+](=O)[O-]	2706
+c1(-c2cc(F)c(cc2)C#N)cnc(Cl)o1	2138
+ClC(Cl)(Cl)C(Nc1c(cc(cc1)Br)C(c2cc(ccc2)Cl)=O)=O	26
+ClC(Cl)(Cl)C(Nc1ccc(cc1C(c2cc(Cl)ccc2)=O)C(c3cnc(cc3)Cl)(O)c4n(cnc4)C)=O	26
+ClC(Cl)(Cl)C(c1c[nH]c(C#N)c1)=O	432
+ClC(Cl)(Cl)C(Nc1cccc(OC)c1C=O)=O	26
+ClC(Cl)(Cl)C(=O)c1cc(C(C)=O)[nH]c1	432
+ClC(Cl)(Cl)C(c1ccc2n1Cc3c(N(C2)S(=O)(=O)c4ccc(cc4)Br)cccc3)=O	1053
+ClC(Cl)(Cl)C(c1ccc2CN(C(c3ccc(cc3)C4CCCCC4)=O)c5ccccc5Cn12)=O	1053
+ClC(Cl)(Cl)C(=O)Nc1ccc(C(c2ccc(cc2)OC)=O)cc1C(=O)c3cccc(Cl)c3	26
+ClC(Cl)(Cl)C(c1ccc2CN(c3ccccc3Cn12)C(c4ccc(cc4)C=5CCCCC=5C)=O)=O	1053
+ClC(Cl)(Cl)C(c1[nH]ccc1)=O	1053
+ClC(Cl)(Cl)c1onc(Cc2ccccc2)n1	2750
+c1cc(ccc1)COCC2CC(=O)C2(Cl)Cl	2747
+ClC(Cl)(Cl)C(c1n(ccc1)-c2cc(ccc2)C(OC)=O)=O	1053
+C1CNCCN1c2c(OC)ccc(S(=O)(=O)Nc3c(c(cc(c3)Cl)Cl)OC)c2	8867
+ClC(Cl)(Cl)C(NC(Nc1c(ccs1)C(OC)=O)=O)=O	8868
+c1cc(ccc1COC(N2C(C(=O)N3CCN(CC3)CCOC(=O)N)CC(C2)SCc4ccc(cc4)OC)=O)[N+](=O)[O-]	4615
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CCCOC(=O)N)CC3	4615
+CC(C)(NS(=O)(=O)C)Cn1c2c(nc1COCC)c([n+](c3ccc(OCc4ccccc4)cc23)[O-])N	2885
+c1ccccc1COc2ccc3[n+]([O-])c(N)c4c(n(C)c(n4)CC)c3c2	2885
+C(N)(=O)Nc1sc(Br)cc1C(=O)OC	8869
+Clc1cccc(c1)-c2c3c(ccc(c3)Br)nc(n2)O	3009
+Clc1cccc(-c2nc(nc3c2cc(C(c4n(cnc4)C)(c5cnc(Cl)cc5)O)cc3)O)c1	3009
+N(C(C=NO)=O)c1c(Cl)cc(cc1)F	1048
+N(C(=O)C=NO)c1ccc2CCCc2c1	1048
+c1c(Cl)c(ccc1NC(C=NO)=O)C(=O)O	1048
+N(C(C=NO)=O)c1cccc(Cl)c1C	1048
+c1(cc(NC(C=NO)=O)ccc1)Br	1048
+c1c(cc(c(NC(C=NO)=O)c1)CC)Br	1048
+c1cc(ccc1F)NC(C=NO)=O	1048
+c1cc(ccc1Br)COCC(C(=O)OC)C	1476
+ClC(Cl)(Cl)C(c1cc(c[nH]1)I)=O	4616
+c1cc(ccc1Br)S(=O)(=O)N2c3ccccc3Cn4c(C2)ccc4C(=O)NCc5cnccc5	4617
+Cc1ccccc1-c2cc(ccc2)C(=O)N3Cc4ccc(C(NCc5cnccc5)=O)n4Cc6c3cccc6	4617
+c1cc(ccc1)COC(=O)c2n(-c3cc(C(OC)=O)ccc3)ccc2	4544
+ClC(Cl)(Cl)COC(=O)N1C2Cc3ccc(cc3C4(CC1)CCCCC24)C(=O)C	1142
+ClC(Cl)(Cl)COC(=O)Nc1cnn(-c2ccc(cc2)C)c1	8870
+ClC(Cl)(Cl)COC(=O)Nc1ccc(cc1)C(N(C)C)=O	90
+C12CCCCC13CCNC2Cc4ccc(C(=O)C)cc34	4618
+ClC(Cl)(Cl)COC(=O)Nc1cc(C(C)(C)C#N)nn1-c2cccc(c2)OCCO	168
+CN(C)C(=O)c1ccc(cc1)NC(=O)Nc2ccc(Br)c(F)c2	8871
+C1CN(CCN1c2ncnc(-c3ccc(cc3)F)c2)C(Nc4cnccc4)=O	2076
+C1CNCCC1=C2c3c(CCc4cc(ccc24)C#N)cccn3	4618
+O(CCCl)Cn1c2ncccc2nc1	1883
+c1(OC)cc(F)cc(c1)CCl	1331
+c1c(c(c(cc1)OC)F)CCl	1331
+c1cc(ccc1)COc2c3ccccc3cc(c2)CCl	1331
+c1cc(ccc1Cl)C(=CC2C(C)(C)C2C(=O)Cl)Br	8872
+c1cc(ccc1)-c2ccc(C)c(CCl)c2	1331
+FC(F)(F)Oc1ccc(cc1S(=O)(=O)C)N=C=O	1044
+C(=O)=Nc1c2OCCCc2c(Cl)cc1F	1044
+N1C(=O)OC(c2cccc(F)c12)=O	2081
+c1([N+]([O-])=O)ccc(N=C=O)c(C)c1	1044
+c1cc(ccc1)CN2CCN(CC2)c3ccc4c(C(OC(=O)N4)=O)c3	2081
+c1cc(ccc1F)COc2cc(c(N=C=O)cc2)F	1044
+c1cccc(c1OCC(OCC)=O)Oc2c(Cl)cc(F)c(N=C=O)c2	1044
+ClCCN(CCCl)c1ccc(cc1)N=C=O	861
+c1cc(c(cc1C2CN(C(=O)Cl)CC2C(C)Oc3ncc(cc3)Cl)Cl)Cl	8873
+FC(F)(F)C=1N(C(N(c2c(N=C=O)c(c(Cl)cc2F)C)C(C=1)=O)=O)C	861
+FC(F)(F)Oc1c(F)cc(cc1)C(NC(=O)c2nc3NC(Oc3cc2)=O)c4ncccc4F	8874
+FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(C)c(N3C(c4c(nc(SC)nc4)NC3=O)=O)c2	8875
+FC(F)(F)c1ccc(-c2c3c(ncn2)N(c4ccc(cc4)OC)C(N3)=O)c(F)c1	4619
+FC(F)(F)c1cc2NC(N(c3cc(CC)c(cc3OC)OC)c2cc1)=O	8876
+FC(F)(F)c1nc(NC(Nc2c3cc(ccc3ncc2)Br)=O)ccc1	8877
+c1cc(ccc1C(OC)=O)CNC(N2C(C)CN(c3ccc(c(Cl)c3)C#N)C(C)C2)=O	8878
+C1CN(CCO1)c2c3ccn(CCN(C)C)c3nc(n2)-c4ccc(cc4)NC(=O)NC	675
+N1c2c(C(=O)O)c(F)ccc2OC1=O	8879
+N1c2cc(ccc2C(N(C1=O)c3c(c(Br)ccc3)C)=O)F	1061
+N1c2cc(OC)ccc2C(N(C1=O)c3c(c(Br)ccc3)C)=O	1061
+c1(ccc(cc1Cl)C(=O)OC)N=C=O	861
+c1cc(OC)cc2c1NC(=O)OC2=O	1754
+c1(c(Br)cccc1N=C=O)C	861
+N1C(=O)N(Cc2c1cccc2Br)C	8880
+c1c2c(C(=O)OC(N2)=O)c(Cl)cc1	1754
+c1(ncccc1)C2(N3C(Nc4cccc(OC2)c34)=O)C(=O)N	8881
+COc1c(c(c(c2C(=O)OC(Nc12)=O)C)I)F	1754
+O=S(=O)(C)c1ccc2C(OC(=O)Nc2c1)=O	8882
+c1c(c(F)c(F)c(N=C=O)c1I)C	861
+c1(F)cc(cc(F)c1F)NC(Nc2cccc(Nc3ccc4CC(Nc4c3)=O)c2)=O	8883
+c12c(cccc1Br)C(=O)N(CC)C(=O)N2	8884
+Fc1ccc(NC(Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(OC)c4)OC)=O)c(C)c1	1680
+O=C1Nc2c(c(OC)cc(OC)c2)C(=O)O1	1754
+O=C1c2c(c(ccc2)Cl)NC(N1c3c(C)c(ccc3)Br)=O	1061
+c1c(F)c2c(cc1F)C(N(C(=O)N2)c3c(c(Br)ccc3)C)=O	1061
+O=C1c2c(c(F)ccc2)NC(N1c3c(C)c(ccc3)Br)=O	1061
+O=C1N(C(Nc2c(cccc12)C)=O)c3c(C)c(ccc3)Br	1061
+c1c(cc(c(c1)N=C=O)Cl)Br	861
+c1cc2c(cc1I)C(=O)OC(N2)=O	1754
+c1c2c(nc(Cl)c1)N(c3cc(c(OC)cc3Cl)OCc4c(F)c(ccc4OC)F)C(=O)N2	8885
+c1c(I)cc2N(C(=O)OC(=O)c2c1)CC	8886
+c1ccccc1-c2c(N=C=O)cc(Br)cc2	861
+c1cc(ccc1)C#Cc2ncc(N3C(=O)OC(C)(C)CC3)nc2	8887
+c1ccccc1CN(Cc2ccccc2)c3c4c(ncn3)N(C(=O)N4)c5cccc(NC(OC(C)(C)C)=O)c5	4619
+c1cc(ccc1C2=C(C=3N(C(NN=3)=O)C=C2)Cl)C	8888
+c1cc(ccc1F)NC(Nc2ccc(cc2)-c3nc(c4c(n(CC)nn4)n3)N5CCOCC5C)=O	1680
+C1CN(CCO1)c2nc(nc3n(CC(OC)OC)ccc23)-c4ccc(cc4)NC(=O)Nc5ccncc5	1680
+c1cc(ccc1CC(OCC)=O)N2C(c3c(cccc3)NC2=O)=O	1061
+c1cc(ccc1Oc2cc3c(COC3)cc2)N4C(=O)NC(C)C4=O	8889
+O=C1c2c(cccc2)NC(N1c3c(C)c(ccc3)Br)=O	1061
+c1ccccc1CCCOC(Cl)=O	8890
+c1cc(ccc1)CON2C3CN(C(C(OCC)=O)CC3)C2=O	8891
+c1ccccc1CSc2nc(Cl)c3NC(=O)Nc3n2	8892
+n1cc(cnc1Oc2ccc(c3c2C4(CC4)CO3)C)N5C(C(NC5=O)CC)=O	4620
+CC1(C)COc2cccc(Oc3ncc(cn3)N4C(C(C)(C)NC4=O)=O)c12	4620
+ClC(Cl)(Sc1cn(CCl)c2c1cccc2)F	8893
+FC(F)(F)CCC(C#N)(C#N)Cn1c2ccccc2c(SC(Cl)(Cl)F)c1	8894
+ClC(Cl)=C(Cl)c1cc(CN=[N+]=[N-])cc(C)c1	545
+ClC(Cl)=C(c1cc(c(cc1)CN)O)Cl	2886
+ClC(Cl)=C(c1cc(cc(C(=C(Cl)Cl)Cl)c1)CN=[N+]=[N-])Cl	545
+ClC(Cl)=C(Cl)c1cc(O)ccc1	5
+ClC(Cl)=C(c1cc(cc(C(=C(Cl)Cl)Cl)c1)Cn2c(c(C(=O)N)nn2)N)Cl	4621
+ClC(Cl)=CC1C(C)(C)C1C(=O)OCc2cccc(-c3oc(cc3)Br)c2	1699
+ClC(Cl)=CCOc1cc(c(OCOC)c(c1)Cl)C	4622
+FC(F)(F)c1ccc(OCCCOc2c(cc(cc2I)OCC=C(Cl)Cl)Cl)nc1	4622
+Clc1cc(cc(Cl)c1OCCCCOCC=NOCC=C(Cl)Cl)OCC=C(Cl)Cl	410
+ClC(Cl)=CCOc1cc(CC)c(c(c1)CC)OCCCCOCC=NOCc2ccccc2	2236
+ClC(Cl)=CCOc1cc(CC)c(c(c1)CC)OCCCCOCC=NO	410
+FC(F)(F)c1cnc(cc1)OCCCON=C(C)COc2c(cc(cc2Cl)OCC=C(Cl)Cl)Cl	350
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)C#N)OCC=C(Cl)Cl)Cl	262
+Clc1cc(c2NC(=O)OC(=O)c2c1)Br	8895
+Clc1ccc(c([N+]([O-])=O)c1)CCOC(=O)Cl	2701
+Clc1ccc(CCN2C(Nc3c(ccc([N+]([O-])=O)c3)C2=O)=O)c(Cl)c1	8896
+Clc1ccc(c(Cl)c1)OC(c2sc(nn2)N=C=O)C	775
+FC(F)(C)CC(N=C=O)C(=O)OC	8897
+FC(F)(F)c1ccc(-c2c(ccc(c2)CC(OCC)=O)OC)c(CN(CC)C(NCc3ccc(cc3)Cl)=O)c1	8898
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)N=C=O	930
+c1ccc(F)c2c1C(CCO2)N3C(=O)Nc4c(nc(N)nc34)Cl	3716
+c1(N=C=O)cccc2cnc(cc12)C	930
+c1cncc2cccc(c12)N=C=O	930
+O=C=Nc1nnc(C)s1	775
+O=C=Nc1nnc(s1)SC	775
+C=CCc1nnc(N=C=O)s1	775
+ClCc1nnc(N=C=O)s1	775
+c1ccccc1S(=O)(=O)c2cc3OCCN(C(=O)Cl)c3cc2	8899
+O=S(=O)(C)c1sc(N=C=O)nn1	775
+S(C)c1cc(c(cc1Cl)Br)N=C=O	930
+c1c(-c2cnc(-c3ncc[nH]3)cc2)ccc4OCCN(Cc14)C(=O)Cl	2703
+c1(N=C=O)sc(C(C)Oc2cc(c(Cl)cc2)Cl)nn1	775
+c1c(Cl)c(c(cc1N=C=O)Cl)Oc2c(cc(OC(F)F)cn2)Cl	930
+c1c(c(cc(c1)-c2nsc3ccc(N=C=O)cc23)C)OC	930
+c1(cc(cc(Cl)c1)OC2CCN(C(=O)Cl)C2)Cl	8900
+c1cc(ccc1COC(Cl)=O)F	2701
+c1cc(ccc1N=C=O)Oc2cc(Cl)ncn2	930
+c1cc(ccc1N=C=O)OCCOCCOCCOC	930
+c1cc(ccc1Cl)SC2CN(C2)C(=O)Cl	8901
+c1ccccc1CCCc2cc(ccc2)N=C=O	930
+c1cc(ccc1)N2C(N(CC2)C3CCN(CC3)Cc4ccccc4)=O	8902
+c1ccccc1CON2c3cc(ccc3N=C(Cl)C2=O)-n4cncc4	8903
+c1ccccc1COc2ccccc2CN=C=O	8904
+c1cc(ccc1)CSc2nc3NC(=O)N(c4c(cccc4)Cl)Cc3cn2	8905
+c1cc(ccc1)N(c2cc(C)cc(C)c2)C(=O)Cl	8906
+c1(cc(cc(Cl)c1C#N)N=C=S)Cl	333
+FC(F)(F)COc1ccc(cc1)N=C=S	333
+FC(F)(F)Oc1ccc(cc1N=C=S)S(=O)(=O)N	333
+FC(F)(F)c1c(c(Cl)cc(N=C=S)c1)-c2ccc(cc2)S(=O)(=O)N3CCOCC3	333
+FC(F)(F)c1c(ccc(N=C=S)c1)C#N	333
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)N=C=S)Cl	333
+FC(F)(F)c1cc(ccc1)N=C=S	333
+S=C1N(CCCN1c2c(Cl)cccc2C)CC	8907
+N(=C=S)c1c(Cl)cccc1C	333
+Clc1ccc(N=C=S)cc1-c2c(cncc2)F	333
+c1(N=C=S)c(c(F)ccc1)F	333
+OB(O)c1cc(cc(C(O)=O)c1)N=C=S	333
+c1(C)cc(OC)ncc1N=C=S	4611
+CCC(N=C=S)(CCO)c1c(F)ccc([N+]([O-])=O)c1	8908
+N(=C=S)c1c(c(ccc1Cl)OC)Cl	333
+c1cc(OC)c(N=C=S)cc1Br	333
+c1cc(ccc1OCCn2cncc2)N=C=S	333
+c1cc(ccc1CC(=O)OC)Oc2cc(N=C=S)ccc2	333
+c1cc(ccc1N=C=S)S(=O)(=O)N	333
+c1cc(ccc1)-c2c(N=C=S)ccc(C)c2	333
+CC1(C)C(C(C(Cl)Cl)O)C1C(OCC)=O	100
+c1ccccc1C2(C)c3cc(C4CCCCC4)ccc3OC(O2)C(O)=O	8909
+ClC(Cl)C(CC(c1cc(F)c(cc1)OC)=O)=O	8910
+ClC(Cl)C(=O)NC(CF)C(O)c1ccc(cc1)I	271
+c1cc(ccc1-n2c(-c3ccc(c(F)c3)OC)cc(C(Cl)Cl)n2)S(=O)(=O)N	4623
+Clc1c(Cl)cc(c([N+](=O)[O-])c1)NCCCCl	1307
+N=1c2ccccc2C(N(CCCl)C=1CC)=O	1307
+O=Cc1c(O)c(Cl)ccc1	3010
+c1ccccc1Cc2cc(C=O)c(O)cc2	3010
+c1ccccc1Oc2cc(C=O)c(cc2)O	3010
+O(C)c1cc(cc(OC)c1OC)-c2nccc(c2)CCl	2164
+c1(nc(Cl)ccc1)CCl	8911
+ClC1(Cl)CC1(C)CCOc2ccc([N+](=O)[O-])cc2Cl	8912
+c1cc(ccc1)-c2c(C)nn(-c3ccc(cc3)CCCl)c2C	1307
+c1cc(ccc1CCl)-c2nc(COC(c3ccccc3)=O)sc2	2164
+c1cc(ccc1)COC(N2CCOC(CCCl)C2)=O	1307
+c1cc(ccc1N2C(=O)CCc3ccccc23)C(=O)Cl	8913
+O=Cc1cc(c(OC)c(Cl)c1Cl)OC	4624
+c12c(CCC1Cc3nc[nH]c3)cc(c(c2)C=O)OC	4624
+c1(cc(F)c2c(c1OC)cccc2)C=O	582
+c1(OC)cc(c(C=O)c(Oc2c(cc(c(C)c2OC)OC)C(OC)=O)c1)C	582
+O=Cc1c(OC)cc(C)c(F)c1	582
+c1c(c(c(F)c(c1)C=O)Br)OC	582
+c1c(cc2ccc(OC)c(C=O)c2c1)Br	582
+c1(cc(O)c2ccccc2c1C=O)C	582
+c1cc(ccc1)-c2cc3ncnc(Nc4ccc5[nH]cc(C=O)c5c4)c3s2	4625
+c1cc(ccc1-n2c(cc(C=O)c2)C#N)C(=O)OCC	4625
+C1CC1(C#N)c2cc(c(cc2)OC)C=O	582
+c1cc(ccc1S(=O)(=O)NCC2Cc3c(cc(C=O)cc3)C2)Cl	582
+O=Cc1ccc(c2c(C)cccc12)O	582
+c1c(ccc(OC)c1Sc2ccccc2C(OC)=O)C=O	582
+O=Cc1c(cccc1)CCCCCCC	582
+c1ccccc1COc2ccc(C=O)cc2CC	582
+FC(F)(F)C1(ON=C(C1)c2ccc(C(O)=O)c(c2)C)c3cc(Cl)c(c(Cl)c3)F	1423
+o1nc(-c2cc(F)ccc2)c(c1N)C(=O)OC	8914
+C1C(CC1=O)CCC(=O)OCC	2744
+CC1(C)C(Cl)(Cl)C1CC#N	677
+c12c(ccc(OC)c1)CCC(Cl)C(=O)N2	4626
+C12CC(=O)CC1C(CC2)CCCCC(CC)OC	8915
+ClC1(Cl)CC1(C)C(=O)Cl	130
+ClC1(Cl)CC1(C)CCOc2ccc(N)cc2Cl	0
+c1c2NC(C(Cl)CCc2c3ccccc3c1)=O	4626
+c1cc(ccc1OC)COC=2C(N(C)C(=NC=2)Cl)=O	8916
+Clc1ccc(C=Cc2occ(n2)CCl)cc1F	2237
+Clc1cn2cc(nc2c(Cl)c1)CCl	1261
+FC(F)(F)c1ccc(cc1)C=Cc2occ(n2)CCl	2237
+FC1(F)Oc2c(cc(cc2)C=Cc3occ(CCl)n3)O1	2237
+c1(c(Br)sc(-c2occ(CCl)n2)c1)C	8917
+c1cccn2cc(nc12)CCl	1261
+n1c(cn2nc(cnc12)-c3ccc(cc3F)F)CCl	8918
+c1c(ccc(C=Cc2occ(n2)CCl)c1F)F	2237
+c1c2nc(cn2c(cc1)F)CCl	1261
+c1cc(ccc1-c2nc(co2)CCl)Cl	4627
+c1cc(ccc1N2C(=O)n3c(nc(c3)CCl)C=C2)F	8919
+n1c(-c2nc(cs2)CCl)c3n(-c4ccccc4C(N(C)C3)=O)c1	2381
+c1ccccc1COc2ccc(cc2)-c3occ(n3)CCl	4627
+c1nc(-c2scc(n2)CCl)c3CN(C(c4c(ccc(c4Cl)F)-n13)=O)C	2381
+ClCC(CCl)Oc1c(cccc1)[N+]([O-])=O	57
+O=S(=O)(c1[nH]nc2c(OC(CCl)CCl)cccc12)c3cccc4ccccc34	1025
+O=S(=O)(c1c2c(ccc1)cccc2)Cc3cccc(c3[N+](=O)[O-])OC(CCl)CCl	1177
+O=C1c2c(N=C(N1c3ccc(c(c3)Cl)Cl)SCC(=O)NC4c5c(CC4)cccc5)cccc2	8920
+C1=CCC(C1)(C(=O)OC)c2cc(F)cc(OC)c2	8921
+c1([N+]([O-])=O)cccc(OCCCl)c1N	72
+C1CN(CCN1C)c2cc3c(cc2)c4cc(Br)cc(C(N)=O)c4[nH]3	386
+C1CN(CCC12C(=O)Nc3cccc(Br)c23)Cc4ccccc4	4628
+c1cc(ccc1)CN2CCC3(CC2)c4ccncc4NC3=O	4628
+C1CN(CCO1)c2cc(nc(Cl)n2)C3(CCN(CC3)Cc4ccccc4)S(=O)(=O)C	3772
+Clc1c(C(OC)=O)cc(c(Cl)n1)F	1170
+Clc1ccc2c(c(C(OC)=O)[nH]c2c1)NCC(c3ccc(F)c(F)c3)=O	8922
+O=S(=O)(C)NN1C(=O)Nc2cc(c(cc2C1=O)-c3ccnn3C)C(F)(F)C	8923
+FC(F)(F)COc1nc(ccc1)CCl	515
+FC(F)(F)c1c(C)n2nc(ccc2n1)CCl	515
+FC(F)(F)c1c(C)nc(cc1)Oc2cc(ccc2)CCl	229
+FC(F)(F)c1c(Cl)ccc(Oc2ccc(cc2C#N)CCl)c1	229
+FC(F)(F)c1c(F)ccc(Oc2ccc(cc2C#N)CCl)c1	229
+FC(F)(F)c1c(Br)cn(CCl)n1	8924
+FC(F)(F)c1cc(Oc2ccc(cc2)CCl)ccc1Cl	229
+FC(F)(F)c1ccc(Oc2cc(CCl)cc(c2)C)nc1	229
+FC(F)(F)c1ccc(cc1)-c2cc(CCl)cnc2	1045
+FC(F)(F)c1ccc(cc1)-c2sc(CCl)c(n2)CCCOCc3ccccc3	2814
+FC(F)Oc1ccc(CCl)cc1OC	229
+CC(C)n1nccc1-c2cc3C(N(C(=O)Nc3cc2C(F)F)NS(=O)(=O)C)=O	8925
+O=S(=O)(CCC)N(S(=O)(=O)CCC)c1c(c(c(c(c1)F)F)C(c2ccc3ncc(nc3c2)Cl)=O)F	8926
+N1(CC=C(C)c2cccc(c12)CCl)C	229
+NC(N)=Nc1nc(cs1)-c2cccc(n2)CCl	515
+O(C)c1c(C(Cl)C)cc(Cl)c(C)c1Br	4629
+O(C)c1cnc(c(Cl)n1)CCl	1736
+O(c1c(Cl)ncc(CCl)c1)C	1045
+O(c1cccc(c1)CCl)c2ncc(C)cc2	229
+c1c(cc2CCC(Oc2c1)C3CO3)F	8927
+O=S(=O)(NCc1cnccc1)c2cccc(c2)C=CC(Cl)=O	1755
+O=S(=O)(Nc1c2c(ccc1)cccc2)c3cccc(C=CC(=O)Cl)c3	1755
+O=S(=O)(Nc1ccccc1OC)c2cc(C=CC(=O)Cl)ccc2	1755
+O=S(=O)(c1cccc(C=CC(=O)Cl)c1)Nc2ccc3c(cccc3)c2	1755
+O=S1(=O)Nc2ccccc2CN1CCCCl	723
+c1(ccc(C)c(n1)C#N)CCl	515
+ClCc1ccc(cn1)C(=O)OC	515
+c1(C)cccc(C)c1CNc2cccn3c2nc(CCl)c3C	1736
+c1(CC)c(ccc(CCl)c1)Br	229
+c1(CCl)sc(NC(=O)C)nc1	2814
+COc1cc(cc(OC)c1OC)-c2ncnc(CCl)c2	515
+c1(c(c(Cl)ccc1)C(=O)OC)[N+]([O-])=O	1170
+c12c(c(Cl)ccc1)nc(-c3c(cccc3)F)c(CCl)c2	1045
+c1(CCl)cccnc1N2CC(CC2)F	1045
+c1(CCl)ccnc(Cl)c1C	229
+ClCc1n(C)nc(CC)c1Cl	515
+c1cccn2c1nc(CCl)c2CCC	1736
+C(Cl)c1cnc2c(c1)nc(s2)-c3c([N+]([O-])=O)cccc3	1045
+ClCc1nc2c(cc3c(c2)CC4(c5cccnc5NC4=O)C3)cc1	515
+c1ccc2CCCN(C)c2c1CCl	229
+Clc1cncc(Cl)c1CCl	229
+c1(cc(cc(Cl)c1)C(C)(C)C(=O)Cl)Cl	4265
+c1c(OC)c(Cl)ccc1CCl	229
+c1c(c(cc(c1Br)C#N)[N+]([O-])=O)N(C(C)CCl)C	723
+c1c(cc(N)c(c1)N(C)CCCl)Br	723
+c1(C(=O)OC)c(cc(cc1F)F)NC(=O)Cc2ccc3OCOc3c2	1170
+c1c(cnc(c1F)CCl)F	515
+c1c(ncc(-c2c(c(Cl)cc(c2OC)C(Cl)C)C)c1)C#N	4629
+c1cc(ncc1F)CCl	515
+c1ccccc1-c2c(c(C(OC)=O)c3c(cccc3)n2)C	1170
+c1cc(ccc1)-c2cc(cc3cc(ccc23)O)CCl	229
+c1cc(ccc1)C(=O)N2CCN(CC2)c3ccc(c(NCc4ccccc4)c3)C(OC)=O	1170
+c1cc(ccc1)C=CS(=O)(=O)Nc2cccc(c2)C=CC(=O)Cl	1755
+c1cc(ccc1)COC(=O)Nc2cc([N+]([O-])=O)c(c3ccccc23)CCCl	723
+c1cc(ccc1)N(C(C)C)CCCl	723
+c1cc(ccc1CCl)-c2nccnc2NS(=O)(=O)c3ccccc3Cl	229
+c1cc(ccc1CCl)-n2cc(cc2C#N)C=C	229
+c1cc(ccc1C#C)CCl	229
+c1cc(ccc1C#CC#N)C(=O)Cl	4630
+c1cc(ccc1C(=O)CNC(OCc2ccccc2)=O)C(Cl)=O	4630
+c1cc(ccc1CC(OC)=O)CCc2nc(NC(=O)C)sc2	3979
+c1cc(ccc1SC)CCl	229
+c1cc(ccc1SCCCCl)NC(=O)C	723
+c1cc(nnc1C(=O)OC)Cl	1170
+c1ccc2CN(Cc2c1)C(=O)c3c4cc(ccc4nc(n3)N)-c5cc(ccc5CCl)F	229
+c1cc(ccc1-n2c(nc(-c3c(noc3C)-c4ccccc4)c2)CCl)[N+]([O-])=O	8928
+c1cc(ccc1N(CC)CCCl)Nc2ncnc(c2)-c3cc(ccc3)-c4ccccc4	723
+c1ccccc1COc2nc(C)cc(C)c2CCl	1045
+c1ccccc1COc2c(OC)c(F)cc(CCl)c2	229
+c1ccccc1COc2ccc(-c3c(OC)ccc(c3)C(C)C)c(CCl)c2	229
+c1ccccc1N2C(C(=C(C)N2C)C(=O)OC)=O	8929
+c1ccccc1NC(Nc2ccc(cc2)CCl)=O	229
+c1ccccc1Sc2ccc(cc2C)CCl	229
+c1nc2ccc(SCCCSc3c(c(ncc3)CCl)C)nn2c1[N+]([O-])=O	515
+n1c(Nc2cc(cc(Cl)n2)CCl)sc(c1)C#N	229
+ClCc1c(nc(OC)cn1)OC	1736
+c1cc(ccc1)C(c2ccccc2)N3C(C4(COc5c4cc(OC)nc5)c6c3cccc6)=O	8930
+c1cc(ccc1)C(c2ccccc2)N3c4c(C5(COc6c5cc(c(c6)F)F)C3=O)cccc4	8931
+c1(-c2nc(F)ccc2)n(Cc3ncc(nc3OC)OC)ccn1	2238
+c1csc(-c2nccn2Cc3ncc(nc3OC)OC)n1	2238
+Oc1c(C(=O)C)cc(CC#N)cc1Br	177
+FC(F)(F)COc1nc(nc(CCl)c1)N	145
+ClCc1nc(N)nc(Cl)c1	64
+ClCc1nc(nc(Cl)c1)-c2ncccc2	64
+c1(ccc(Cl)cc1-c2c(c3c(nc(nc3cc2)N)N)Cl)OCc4ncccc4	412
+CNCc1ncccc1	1279
+c1c(c(Cl)cc([N+]([O-])=O)c1)OCc2ncccc2	412
+n1n(Cc2ncccc2)c3ccc([N+]([O-])=O)cc3c1	4631
+c1(cccc(F)c1NC(=O)c2oc(Cc3cc(ccc3OCc4ccccn4)Cl)cc2)F	412
+c12c(cc(cc1)Nc3ncnc4cccc(F)c34)ccn2Cc5ncccc5	8932
+c1cc(ccc1OCc2ccccn2)C(OCC)=O	412
+c1ccccc1CCOc2ccc(cc2OCc3ccccn3)C=O	412
+CC(C)Oc1c(Cl)cc(c(N2C(=O)C3=C(C2=O)CCCC3)c1)F	1550
+O=S(=O)(C)Nc1cc(NC(=O)OCC)c(F)cc1Cl	1550
+O=S(=O)(C)Oc1c(Cl)cc(c(-n2c(C)c(Cl)c(n2)C)c1)F	8933
+c1(ccccc1C2=NC(C(=O)N(C)c3ccc(N)c(c23)Cl)C)F	1550
+c1c(C)cc(Cl)c(N)c1[N+]([O-])=O	1550
+Nc1ncc(Cl)cc1I	4632
+FC(F)(F)C(=O)NCCc1c(ccc(c1)OC)I	694
+FC(F)(F)c1cc(c(N)c(I)c1)Cl	694
+c1(I)c(N)ncc(Cl)c1Br	4632
+O=Cc1c(cc(c(I)c1)OC)OC	694
+O=S(=O)(c1cc(ccc1N)I)N	694
+C(c1c(ccc(I)c1)N)(=O)c2ccccc2Cl	694
+Nc1c(C)cc(I)cc1[N+]([O-])=O	694
+Cc1c(c(nc(n1)N)N)I	2906
+c1c([N+]([O-])=O)cc([N+]([O-])=O)c(Sc2ccc(I)cc2NC(C)=O)c1	694
+c1cc(ccc1Cl)-c2cn3c(cnc3c(c2)C)I	8934
+c1(N)ccc(-c2sc3cc(OC)ccc3n2)cc1I	694
+c1c(cc(c(N)c1)C#N)I	694
+c1(Cl)nc(nc(c1I)N)C	2906
+c1c(c2c(sc(NC(c3sc(C)cc3)=O)n2)c(I)c1)OC	8935
+FC(F)(F)C(CCCCCCCC)(C(Cl)=O)F	4633
+O=S(=O)(c1nccn1CC(Cl)=O)C	4633
+c1cc(ccc1Cc2ccc(cc2)[N+]([O-])=O)CS(=O)(=O)Cl	8936
+O=S(=O)(c1ccccc1Cc2c(n(c3c2cc(F)cc3)CC(OC)=O)C)Cl	4634
+C(c1ccc(cc1I)F)(Cl)=O	3011
+c1c(ccc(Oc2cc(C(Cl)=O)ccc2[N+]([O-])=O)c1F)F	3011
+c1c(ccc(Sc2cc(C(Cl)=O)ccc2[N+]([O-])=O)c1F)F	3011
+O=S(=O)(Cl)c1ccc(cc1)OCC#Cc2ccc(cc2)Cl	4634
+c1([N+]([O-])=O)c(Cl)c(c(Cl)nc1)Br	137
+c1(cc(F)ccc1)-c2[n+](c(c(Cl)cc2C(=O)OC)Cl)[O-]	375
+Clc1cc(Br)cc(Oc2c(ccnc2Cl)C)c1	137
+Clc1cc2c(c([N+]([O-])=O)cnc2cc1)Cl	120
+Clc1cc2c(nc(CCC)nc2Cl)cc1	64
+Clc1cc2c(cc1)cc(nc2Cl)C#N	8937
+Clc1ccc(CCN2C(=Nc3c(ccc([N+]([O-])=O)c3)C2=O)Cl)c(Cl)c1	4635
+Clc1ccc(c(Cl)c1)-c2c(c(Cl)ncc2)[N+]([O-])=O	137
+Clc1ccc(c(Cl)c1)-c2cc3n(ccn3)c(Cl)n2	3992
+Clc1ccc2c(nc(Cl)nc2)c1	1047
+Clc1ccc2[n+](c(c3c(c2c1)n(cn3)-c4c(Cl)cccc4)Cl)[O-]	8938
+Clc1ccc2c(Cl)nncc2c1	218
+O=S(=O)(c1nc2nc(C)cc(n2n1)Cl)Nc3c(cccc3Cl)Cl	4636
+Clc1cccc(c1)-c2c3c(nc(n2)Cl)ccc(c3)Br	1047
+Clc1cccc(c1)-c2nc(Cl)cc(CC)n2	64
+Clc1cccc(c1)-c2nnc(Cl)c(C)c2	218
+FC(F)(F)c1n2c(nc(Cl)c1)c(cn2)C(=O)OC	8939
+FC(F)(F)Cc1sc2ncnc(Cl)c2c1	779
+FC(F)(F)Oc1ccc2c(c1)ccc(n2)Cl	532
+FC(F)(F)c1ncnc(Cl)c1C	64
+FC(F)(F)c1c(N2CCc3ncnc(Cl)c3CC2)nccc1	64
+FC(F)(F)c1nc2c(ccc(OC)c2)nc1Cl	1221
+FC(F)(F)c1cc(cnc1Cl)Br	137
+FC(F)(F)c1ncnc(Cl)c1Br	64
+FC(F)(F)c1c2nc(n(C)c2c(cc1)C(CC)CC)Cl	1088
+FC(F)(F)c1c([n+]([O-])c(cc1)Cl)Cl	375
+FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc(n1)Cl	740
+FC(F)(F)c1cc(Nc2nc(CCC)cc(Cl)n2)ccc1F	64
+FC(F)(F)c1cc(Cl)nc2c1cn[nH]2	137
+FC(F)(F)c1cc2c(cc1)c(c(C(NCc3cc(ccc3)F)=O)c(SCC)n2)Cl	120
+FC(F)(F)c1ccc2c(nc(nc2Cl)-c3c(SCC)cc(Cl)cc3)c1	64
+FC(F)(F)c1cc2c(cc1)c(Cl)nc(-c3c(SCC)cccc3)n2	64
+FC(F)(F)c1ccc(cc1)-c2cc(nc(Cl)n2)C	740
+FC(F)(F)c1cc2c(cc1)nc(c(C(OC)=O)c2Cl)C	120
+FC(F)(F)c1ccnnc1Cl	218
+FC(F)(F)c1cc2c(Cl)nccc2nc1	3012
+FC(F)(F)c1c2c(ncnc2Cl)sc1	779
+FC(F)(F)c1nc(Cl)c2c(n1)cccc2	64
+FC(F)(F)c1ccc(cn1)-c2cc(nc(n2)Cl)C	740
+FC(F)(F)c1cc(c(cn1)I)Cl	120
+FC(F)(F)c1ccn(-c2ccc(c([n+]2[O-])Cl)C)n1	375
+FC(F)(c1ncc(cc1)F)c2nc(Cl)c3c(cccc3)n2	64
+FC(F)(c1ccc(F)cn1)c2nc(c3c(cc(OC)cc3)n2)Cl	64
+FC(F)(c1nc2c(cccc2Cl)c(n1)Cl)c3ncc(F)cc3	64
+c1(F)cc2nc3n(nc(C)c3c(c2cc1F)Cl)-c4ncccc4	4561
+Ic1c2c(n(n1)C)ncnc2Cl	1203
+N#Cc1c(Cl)nc(C)c(c1)[N+](=O)[O-]	137
+N#Cc1c(Cl)ncc(I)c1	137
+N#Cc1c(c(F)ccc1)-c2cc(ccc2F)-c3cc(Cl)nnc3	218
+N#Cc1c2c(c(Cl)nc1)cc(Br)s2	1799
+c1cc2c(cc1)nc3n2c(Cl)c(CCCCCC)c(c3C#N)C	8940
+c1(c2ccc(cc2c(Cl)nn1)Br)O	8941
+O(C(C)=O)CCc1c[nH]c2nc(SC)nc(Cl)c12	1032
+O(C)CCOc1ccc2nc(Cl)n[n+]([O-])c2c1	4637
+c1c(nc(Cl)c(c1Cl)[N+]([O-])=O)COC	8942
+O(C)c1c(C)nccc1Cl	120
+c12c(cc(OC)cc1OC)ncnc2Cl	64
+O(CC)C(=O)C(C)c1cccc(Cl)[n+]1[O-]	375
+c1cc2c(cc1)c(O)c(C(OCCCC)=O)nc2Cl	137
+n1c(Cl)c(c(nc1)COC)C	64
+O(c1c(Cl)ncnc1)C	64
+O(c1c(Cl)nccc1)C	137
+O1CCOC12CCc3c4c(sc3C2)ncnc4Cl	779
+C(C)N(CC)S(=O)(=O)c1c(n2c(nnc2Cl)cc1)C	8943
+O=S(=O)(Nc1c(ccc(C)c1Cl)Cl)c2nc3nc(C)cc(n3n2)Cl	4636
+O=S(=O)(c1cccc(-c2cnc(c3[nH]c4c(cc(C)cn4)c23)Cl)c1)CC	8944
+O=S(=O)(Cl)c1cc2c(ncc(Cl)c2cc1)Cl	137
+c1cc(ccc1-n2c3ncnc(Cl)c3cn2)S(=O)(=O)C	1203
+c1(C#N)cnn2cc(cc2c1Cl)Br	2411
+c1([N+]([O-])=O)cnc2c(CCC2)c1Cl	120
+c1nnccc1-c2nc3ccccc3c(Cl)n2	64
+c1cccc(-c2nc(c3sccc3n2)Cl)c1OC	2679
+c1c(c(OC)ccc1-c2nc(c3ccc(OC)cc3c2)Cl)F	137
+c1cc2ncccc2cc1C(=O)c3cc4c(cc3)nc(nc4-c5cc(ccc5)Cl)Cl	1047
+n1c2ccccc2c(Cl)nc1CCl	64
+c1c(Cl)nc2c(C(CCC2)=O)c1	137
+c1c(Cl)nc2c(C(NCC2)=O)c1	137
+c1cc2cccc(Br)c2nc1Cl	532
+c1cc2c(nc1Cl)c(ccc2)O	532
+c1cc2c(cc(Br)nc2)nc1Cl	532
+[N+]([O-])(c1cc2n(ncc(C#N)c2Cl)c1)=O	2411
+[N+](c1cc(Cl)c2ncc(C#N)c(Cl)c2c1)([O-])=O	120
+c1(C(=O)OC)ccc([n+]([O-])c1CCl)Cl	375
+[O-][n+]1c(Cl)cnc(C(=O)OC)c1C	2904
+c1(c(Cl)[n+]([O-])c(Br)cc1[N+](=O)[O-])NC	375
+c1cccc(-c2nc3c(ccc(C)c3)c(Cl)n2)c1OC	64
+c1cccc(-c2nc3ccccc3c(Cl)n2)c1OC	64
+c1cccc(-c2nc3c(c(Cl)n2)cc(F)cc3)c1OC	64
+Clc1c2CSCc2nc(-c3ccc(s3)Cl)n1	64
+c1(Cl)c(C(=O)O)cc(cn1)[N+](=O)[O-]	137
+c1(C)c2c(c(Cl)ncc2Br)ccc1	137
+c1(c([n+]([O-])c(Cl)cc1C)Cl)[N+]([O-])=O	375
+n1c(C)c(c(nc1Cl)C)Br	740
+c1(C)nc2c(c(Cl)c1)cc(cc2OC)F	120
+c12c(Cl)cc(C)nc1c(Br)ccc2	120
+c1(CCCC(=O)OC)cc2c(ncc(C#N)c2Cl)s1	8945
+c1(F)c(Cl)cc[n+]([O-])c1C	8946
+c1(F)cc(cc(F)c1-c2c(Cl)nnc(-c3c(F)cccc3)c2-c4cc(OC)cc(c4)OC)F	218
+c12cc(F)c(F)cc1c(Cl)ncn2	64
+c1(I)c(Cl)ccnc1CC	120
+Clc1c2c(ccs2)ncc1[N+](=O)[O-]	8947
+n1c(C)nc(Cl)cc1N	64
+c1(c2ccc(OC)cc2c(Cl)nn1)COC	218
+c1([N+]([O-])=O)cc2c(ncnc2cc1F)Cl	64
+c1([N+]([O-])=O)ccc2c(c(cc(Cl)n2)C)c1	532
+c1([N+]([O-])=O)cccc(-c2c(C#N)c(Cl)nc(SC)n2)c1	64
+c1(c(-c2ccncn2)cc(c(n1)Cl)C#N)-c3occc3	137
+c1(c(c(Cl)ncc1)C#N)C	137
+c1(c(CC)nc(Cl)c(c1)C#N)C(=O)OCC	137
+c1(c(nc(nc1Cl)C)C(=O)OCC)CCC	64
+c1(c(F)ccc2ncc(Cl)nc12)C	1221
+c1(c(Cl)ncc(c1)C(OCC)=O)C	137
+c1(c([N+]([O-])=O)cc2c(ncnc2c1)Cl)NCC	64
+n1c(Cl)c(c(nc1CC)Cl)I	64
+c1(C(=O)O)c(Cl)c(Cl)nc(n1)-c2c(c(OC)c(Cl)cc2)F	64
+c1(c(F)c(ncn1)Cl)CC	64
+c1(Cl)nccc(O)c1[N+](=O)[O-]	137
+c12c(CCC1C)ncnc2Cl	64
+c1(c2c(Cl)ncc(c2sc1)C(OCC)=O)C	1799
+c12c(c(C)cc(c1)Br)nc(-c3cnccc3)nc2Cl	64
+c1nc(c2c(cc(OC)c(c2)F)c1OC)Cl	137
+Clc1c2c(ccc(c2nc(c1)C)F)F	120
+c12c(nc(nc1Cl)C)sc(C)c2	779
+c12c(Cl)nncc1cc(-c3c(C)ccc(c3)C(=O)OC)cc2	218
+c1c(cc2c(c(Cl)nnc2)c1)Br	218
+Clc1nc(C)nc2c(cccc12)O	64
+c1ccc2c(c(C)nc(c2c1)Cl)CC(=O)O	137
+c1(c2c(ccc1C)c(Cl)ncc2)-c3cc4c(cc3)nc(NC)nc4	137
+c1(c2n(ccnc2)nc1)-c3ncc([N+]([O-])=O)c(Cl)n3	64
+c1(C)cc(Cl)nc(-c2nc(CCC)ccc2)n1	64
+c1(C)cc(cc(C)c1)-c2c(ncc([n+]2[O-])Cl)-c3cc(C)cc(C)c3	2904
+c1(cc(ccc1)NC(C)=O)-c2nnc(cc2)Cl	218
+c1([n+]([O-])c(c(C)cc1)C(=O)OC)Cl	375
+c1(cncc(Br)c1Cl)Br	120
+c1(c(Cl)nc(C)cc1C)[N+]([O-])=O	137
+c1(ccc(cc1Cl)-c2nc(Cl)nc(c2)C)Cl	740
+N#Cc1c(O)nc(C)cc1Cl	120
+c12c(CCCC1)nc(N)nc2Cl	64
+n1c2c(c(Cl)cc1-c3c(cccc3)OC)cccc2	120
+c1(nc2c(c(Cl)c1)cc(cc2)Br)C	120
+c12ccccc1[n+](nc(Cl)n2)[O-]	4637
+c1(ccccn1)-c2c(nccc2)Cl	137
+n1cnc2COC(C)c2c1Cl	64
+n1cnc2n[nH]cc2c1Cl	1203
+c12c(Cl)nncc1c(c(C)cc2)I	218
+c12c(nc(Cl)n3c1ncn3)ccc(Br)c2F	8948
+c12c(Cl)nc(N)nc1-c3c(OCC2)cccc3	64
+C1CC(OC)c2ncnc(Cl)c12	64
+c1(Cl)c2c(c(C(=O)OC)cn1)n(C)cc2	3012
+c12CCCCc1nc(c([N+]([O-])=O)c2)Cl	137
+C(Oc1c(OC)cc2c(c(C#N)cnc2c1)Cl)CCCl	120
+COc1c(OCCOC)cc2ncc(C#N)c(c2c1)Cl	120
+c1([N+]([O-])=O)ccc2ncc(C#N)c(c2c1)Cl	120
+c12c(c(C)cc(c1)Br)nc(Cl)c(c2)F	532
+c12c(ncnc1Cl)sc(CC)c2	779
+c12c([N+]([O-])=O)cccc1c(ncn2)Cl	64
+c1cc2c(nc1Cl)c(F)ccc2	532
+c12N=C(N(CC)C(=O)c1cccc2Br)Cl	4635
+c12c(nccc1Cl)c(I)ccc2	120
+c12c(cnc(c1cccc2C)Cl)C(=O)O	137
+c12c(cncc1)[nH]c3c2c(ncn3)Cl	1032
+c12CCCc1ncnc2Cl	64
+Clc1c(Br)cc2c(ncnc2c1)Cl	64
+COc1c(OCCOC)cc2c(c(ncn2)Cl)c1	64
+COc1c(OCC)cc2c(c(ncn2)Cl)c1	64
+n1cnc2cnc(cc2c1Cl)-c3nnc(o3)C	64
+n1cnc2c(ccc(C)n2)c1Cl	1032
+c12nnc(Cl)c(c1CCCC2)C#N	218
+c12c3c(-c4c(C)c([N+]([O-])=O)ccc4)nnc(Cl)c3[nH]c1cc(cc2)C(=O)C	4638
+c12c3c(c(Cl)cc(C)n3)ccc1cccn2	120
+c12cc(OC)cc(OC)c1c(Cl)ccn2	120
+c1(cnc2ccc(OC)cc2c1Cl)C(=O)OCC	120
+c12cc([nH]c1c(ncn2)Cl)-c3occc3	1268
+c12cc(cc(c1c(ncn2)Cl)OCCCl)OC	64
+c1(nc2ccc(C)cc2[nH]1)Cl	3013
+c1(-c2cccc(OC)c2)c3ccc(OC)cc3c(Cl)nn1	218
+c12ccc(C#N)cc1[nH]c3c2c(ncn3)Cl	1032
+Clc1ccnc2nc(C)ccc12	3014
+Clc1ccnc2c1ccc(CCC)n2	3014
+[n+]1([O-])c2c(cc([N+]([O-])=O)c1Cl)cccc2C	3015
+O(C)C(Cc1c(nc2c3c(nn2c1Cl)cccc3)C)=O	8949
+Clc1ccc2cc3c(CC4(c5cccnc5NC4=O)C3)cc2n1	532
+c1c(OC)ccc2n3c(nnc3c(Cl)nc12)CC	8950
+n1c2ccc(C)nc2c(Cl)cc1	4639
+n1cc(c(Cl)c2c1cccc2)I	120
+Cc1ccc2c(cc[n+]([O-])c2Cl)c1[N+]([O-])=O	375
+c1(Br)c2c(ccc1)c([n+](cc2)[O-])Cl	375
+c1c2c(c([n+](c1OCC)[O-])Cl)cccc2	375
+c1c(-c2cc3nc(C)c(CC(OC)=O)c(Cl)n3n2)cc4CCCCc4c1	4263
+c1c(Br)c(Cl)cc2nc(Cl)ncc12	1047
+CC(C)c1ccc(c(OCc2c(C)nc(-c3c(C)cccc3C)nc2Cl)c1)C	64
+c1c(C)c(c(cc1)C)Oc2cc3c(Cl)nc(-n4cc(cn4)C(=O)OCC)nc3cc2F	64
+c1c(C)ccc(N2CCc3c(C2)c(ncn3)Cl)n1	64
+c1c(C)nn(CC(=O)c2c(cc(nc2C)C)Cl)c1C	120
+c1c(c(C)c([N+]([O-])=O)cc1)CCCl	8951
+Clc1cc(cc(Cl)c1-n2cc3c(Cl)[n+]([O-])cc(c3n2)F)[N+]([O-])=O	8952
+Cc1c(Cl)c2c(nc1-c3c(cccc3)F)cccc2	8953
+Fc1cc(cc(F)c1)-c2n3nc(C)cc3nc(Cl)c2	4640
+c1c(OC)ccc2[n+]([O-])c(c(cc12)[N+]([O-])=O)Cl	3015
+[n+]1(cc(Br)cc(OCC)c1Cl)[O-]	375
+c1c(c(cc(-c2nc3c(cc2)ncnc3Cl)c1)C)OC	1268
+n1c(nc(-c2c(cccc2)OC)cc1Cl)CC	64
+c1c(cc2c(c([N+]([O-])=O)cnc2c1)Cl)Br	120
+c1(cnc2ccc(cc2c1Cl)Br)C(=O)OCC	120
+c1c(cc2c(c1)ncc(Cl)n2)Br	1221
+c1c(cc2c(Cl)cc(-c3cc(F)ccc3)nc2c1)Br	120
+c1c(cc2ncc([N+]([O-])=O)c(c2c1)Cl)Br	120
+c1c(ccc(c1F)-c2[n+](c(ccc2C(=O)OCC)Cl)[O-])F	375
+c1c(Cl)c(-c2cc3n(n2)c(ccn3)Cl)ccc1	8954
+c1(nc2c(c(F)ccc2)[nH]1)Cl	3013
+c1(nc2cccc(Cl)c2[nH]1)Cl	3013
+c1(ccccc1-c2nnc(Cl)c3c2ccc(OC)c3)OC	218
+c1c2c(ccc1OC)c(Cl)nc(Nc3ccn[nH]3)c2	137
+N#Cc1cnc2c(c1Cl)cc3c(c2)cc(OCCCl)c(OC)c3	120
+N#Cc1cnc2c(c1Cl)cc3c(cc(c(OC)c3)O)c2	120
+c1c2c(nc(Cl)nc2)cc(OC)c1Br	1047
+c1(cc(F)ccc1Oc2c3c(nc(cc3)Cl)ccc2OC)F	532
+c1c2c(c(Cl)ncc2[N+](=O)[O-])ccc1	137
+c1c2c(ccc1C)ccnc2Cl	137
+c1c2c(ccc1OC)c(cc(Cl)n2)C	532
+c1c2c(ccnc2)c(nc1-c3cc(Cl)ncc3)Cl	137
+c1ccc2c3cc(Br)ccc3nc(Cl)c2c1	532
+c1c2ccc(Cl)nc2ccc1OC	532
+c1c2nccc(Cl)c2ncc1OC	4639
+c1(c(-c2ccc(s2)Cl)nn(c1)C(C)CC)-c3cc[n+](c(c3)Cl)[O-]	375
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4cc(Cl)[n+]([O-])cc4	375
+CC(C)c1ccc(cc1)-c2cc[n+](c(Cl)c2)[O-]	375
+c1cc(Br)c(Cl)[n+]([O-])c1C(=O)OC	375
+c1cc(cc(F)c1F)-c2cc(nc3cc(C)nn23)Cl	4640
+c1cc(cc(c1Cl)Cl)N=C(N)Nc2nc(cc(Cl)n2)C	64
+CC(C)c1c(cc(c(n1)Cl)C#N)-c2ccccc2	137
+c1ccccc1-c2nc3c(cccc3)c(c2)Cl	120
+c1ccccc1-c2nc(nc(c2)Cl)N	64
+c1cc(ccc1)-c2cc3c(cc2)c(c([N+]([O-])=O)cn3)Cl	120
+c1cc(ccc1)-c2cnc(c(C#N)c2)Cl	137
+c1ccccc1-c2nc(c(c(n2)Cl)C(C(OC)=O)CCC)C	64
+c1cc(ccc1)-c2nnc(c3cc(ccc23)OC)Cl	218
+c1ccccc1-c2oc3c(c(ncn3)Cl)c2-c4ccccc4	2239
+c1cc(ccc1OC)-c2c3c(Cl)ncnc3oc2-c4ccccc4	2239
+c1ccccc1-c2nnc(cc2N3CCN(CC3)C(c4ccccc4)=O)Cl	218
+c1cc(ccc1)C(c2c(c3c(c(OC)ccc3)nc2)Cl)=O	120
+c1ccccc1CCc2cc([n+](c3ccc(C(=O)c4ccc(cc4)Cl)cc23)[O-])Cl	3015
+c1cc(ccc1)CN2CCc3c(CC2)ncnc3Cl	64
+c1cc(ccc1)CN2Cc3ccc(nc3C(C)(C)C2)Cl	137
+c1cc(ccc1)COC(N2CCc3c(C2)nc(nc3Cl)SC)=O	64
+c1cc(ccc1)COC(=O)N2CCc3c(c(Cl)n4nccc4n3)CC2	3833
+c1cc(ccc1)Cc2c(nc(N)nc2Cl)C	64
+c1cc(ccc1)Cc2nnc(c3c2c(OC)cc(OC)c3)Cl	218
+c1cc(ccc1)Cn2ccc3c2c(Cl)nc(N)n3	1268
+c1cc(ccc1)OCc2c3ccc(OC)cc3c(Cl)nn2	218
+c1cc(ccc1)Oc2ccc(cc2)-c3c(c(cc(C4CCN(CC4)C(=O)OCc5ccccc5)n3)Cl)C#N	120
+c1cc(ccc1)Sc2cnc(Cl)cc2	137
+c1cc(ccc1-c2[n+]([O-])c(c(o2)C)CCl)C(OC)=O	8955
+c1cc(ccc1Cl)-c2c(c(Cl)nnc2)-c3ccncc3	218
+c1cc(ccc1-c2cncnc2Cl)C	64
+c1cc(ccc1)-c2oc3c(c(Cl)ncn3)c2-c4ccc(cc4)CC	2239
+c1cc(ccc1F)-c2cnnc(c2)Cl	218
+c1cc(ccc1OCc2ccccc2)-c3cc(nnc3CCCC)Cl	218
+c1cc(ccc1Cl)-c2c(nc(Cl)c(c2)C#N)-c3c(Cl)cccc3	137
+c1cc(ccc1-c2[nH]c3ncnc(c3c2)Cl)[N+](=O)[O-]	1032
+c1cc(ccc1-c2nc(c3ccsc3c2)Cl)OC	1799
+c1cc(ccc1-c2ccc3c(Cl)c(nnc3c2)I)S(=O)(=O)C	4641
+c1cc(ccc1-c2ccccc2)Cn3nc4N=C(N(C)C(=O)c4c3)Cl	8956
+c1cc(ccc1)-c2c(nc(Cl)c(C#N)c2)-c3ccc(cc3)C	137
+c1cc(ccc1-c2ncc(OC)c(Cl)n2)[N+](=O)[O-]	64
+c1cc(ccc1-c2nn(C)nn2)-c3nnc(c4cc(ccc34)OC)Cl	218
+c1cc(ccc1-c2nnc(Cl)c3cc(F)ccc23)F	218
+c1cc(ccc1C#N)-c2c(C)cc(Cl)nn2	218
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3cc4c(cc3)ncnc4Cl	64
+c1cc(ccc1C)-c2cc(c(nc2-c3c(cc(cc3)Cl)Cl)Cl)C#N	137
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)-c3nnc(Cl)cc3	218
+c1cc(ccc1)CN2N=C(C(c3ccc(cc3)Cl)=CC2=O)Cl	8957
+c1cc(ccc1C(OC)=O)-c2nc3n(ncc3)c(Cl)c2	8958
+c1cc(ccc1CC#N)Sc2c(nc(N)nc2C)Cl	64
+c1cc(ccc1F)CN2c3ccccc3C(Cl)=C(C#N)C2=O	2050
+c1cc(ccc1CN2c3c(cc(c(c3)F)C(=O)OC)N=C(Cl)C2=O)OC	4642
+c1cc(ccc1Cc2nnc(c3ccccc23)Cl)OC	218
+c1cc(ccc1-c2c3n(nc2-c4c(Cl)cccc4)c(Cl)cc(C)n3)Cl	1591
+c1cc(ccc1-c2c(nnc(Cl)c2)-c3ccccc3Cl)Cl	218
+CC(C)c1cc(Cl)nc(-c2ccc(cc2)Cl)n1	64
+c1cc(ccc1Cl)N2c3c(cccc3)N=C(Cl)C2=O	4642
+c1cc(ccc1Cn2c3c(Cl)nncc3cc2C)OC	4638
+c1cc(ccc1Cn2nc3c(c4c(cccc4)nc3Cl)c2)OC	8959
+c1cc(ccc1-c2nc3c(cccc3)c(Cl)c2)F	120
+c1cc(ccc1F)-c2ccc3ncnc(Cl)c3c2	64
+c1cc(ccc1F)C(F)(F)c2nc(c3sccc3n2)Cl	2679
+c1cc(ccc1Nc2nc(Cl)c(Br)cn2)S(=N)(=O)C	64
+c1cc(ccc1N(c2nc(Cl)c3cc(ccc3c2)Cl)C)O	137
+c1cc(ccc1-c2c3c(ncnc3Cl)oc2-c4ccccc4F)OC	2239
+c1cc(ccc1OC)C(=O)c2cc3c(nc(nc3cc2)Cl)-c4cc(ccc4)Cl	1047
+c1cc(ccc1OC)CN2c3c(C(=C(C2=O)C(OCC)=O)Cl)cc(cn3)F	8960
+c1cc(ccc1Cc2c(Cl)nc(nc2C)N)OC	64
+c1cc(ccc1-c2nc(c(CCCCCCCC)cc2)Cl)OCCCCCCCC	137
+c1cc(ccc1OCCCCCCCC)-c2nc(c(cn2)C(=O)OCC)Cl	64
+c1cc(ccc1[N+](=O)[O-])-c2cc(Cl)c(c(n2)-c3ccc(cc3)Oc4ccccc4)C#N	120
+c1cnccc1-c2nc(nc(c2)Cl)N	64
+c1cc2ncc(C#N)c(c2cc1I)Cl	120
+n1cnc2nc(ccc2c1Cl)Cl	1032
+c1cc2c(c(Cl)cc(n2)C)cc1I	120
+c1(cc(ccc1)OC)-c2[n+](c(ccc2CC(OC)=O)Cl)[O-]	375
+C1(=O)c2ccccc2C(=O)N1c3[n+]([O-])c(c(C)c(C)c3)Cl	375
+c1cccc(-c2ccc(Cl)nn2)c1O	218
+c1cc(ccc1)-c2nnc3c(c(ccc3)C)c2Cl	4641
+c1cc(ccc1)-c2nc(nc3c2cccc3)Cl	1047
+c1ccccc1-c2c(C#N)c(Cl)nc(C(C)C)c2	137
+c1cc(ccc1)-c2ncc(Cl)nc2	4505
+c1cc(ccc1)-c2c(nc(SC)nc2)Cl	64
+c1ccccc1-c2csc3c2c(Cl)nc(CCl)n3	779
+c1ccccc1-c2nc(c(C(=O)OCC)cn2)Cl	64
+c1cc(ccc1)-n2c(-c3ccccc3)nc4c2ncnc4Cl	8961
+c1ccccc1CN2Cc3nnc(Cl)cc3CC2	218
+c1ccccc1CN2Cc3ccc(Cl)nc3CC2	137
+c1ccccc1COC2CC(C2)S(=O)(=O)Cl	8962
+c1ccccc1COCC(C)Cc2nc(Cl)c(C#N)c(n2)-c3cc(c(Cl)cc3)Cl	64
+c1ccccc1COCc2ncnc(Cl)c2I	64
+c1ccccc1COCc2nc3c(c(Cl)n2)cc(cc3)OC	64
+c1ccccc1COc2cc3c(ncnc3cc2OC)Cl	64
+c1ccccc1COc2c(Br)cc3c(cc(nc3c2)C)Cl	120
+c1ccccc1COc2cc3c(c(cnc3cc2OCCOC)C#N)Cl	120
+c1ccccc1COc2cc3nccc(Cl)c3cc2	120
+c1ccccc1COc2c(OC)cc3c(c2)nccc3Cl	120
+c1ccccc1COc2ccc3c(c([N+]([O-])=O)cnc3c2)Cl	120
+c1ccccc1CSc2cc3c(F)cnc(Cl)c3cc2	137
+c1ccccc1CSc2cc3ncnc(Cl)c3cc2	64
+c1ccccc1Nc2nc(C)cc(n2)CCl	8963
+c1ccccc1Oc2ccc3ncc(C(=O)OCC)c(Cl)c3c2	120
+c1cc(-c2cc(cc(-c3ccccn3)n2)Cl)ncc1	120
+c12ccc(C)c(c1ccnc2Cl)I	137
+c1cc(ccn1)-c2c(nc(nc2Cl)N)-c3cc(F)ccc3	64
+c1cc(ccn1)-c2ncc(C(OCC)=O)c(Cl)n2	64
+c1(Cl)cnc2c(ccnc2Cl)n1	1221
+S(c1ccc2ncc(Cl)nc2c1)C	1221
+c1nccc(C=2N=C(Cl)N(C(C=2)=O)C)n1	8964
+n1(-c2ccc3c(c(ncn3)Cl)c2)ccnc1	64
+n1(-c2ncccc2Cl)ncc3c(ncnc13)Cl	1203
+c12n(ccn1)c(Cl)nc(-c3cnn(C)c3)c2	8965
+c1(Cl)n2nc(C)cc2nc(C)c1	8966
+n1cnc2n(-c3ncccc3)ncc2c1Cl	1203
+n1c(C)c(c(nc1Cl)C)C(OCC)=O	740
+n1c(nc(Cl)c2cc(C)ccc12)CCl	64
+n1c(nc(Cl)cc1)COC(CCCCC)=O	64
+n1c(Nc2ncc(C)c(c2)CCl)sc(c1)C#N	8967
+n1c(Cl)c2N(C(C(=Cc2cn1)C(OCC)=O)=O)C	218
+n1c(SC)nccc1-c2c(nc(Cl)c(C#N)c2)-c3occc3	137
+n1c(nc2sccc2c1Cl)C(=O)OCC	779
+c1(N)nc(Cl)nc(C#N)n1	8968
+c12c(nc(C)nc1Cl)CCCC2	64
+n1c(Cl)c(C#N)cnc1Nc2cccc(OC)c2	64
+c1(Cl)nc(nc2c1[nH]cc2)CCCC	1268
+c12cc3c(OCO3)cc1c(Cl)ncn2	64
+n1c2ccc([N+]([O-])=O)cc2c(Cl)nc1-c3nccnc3	64
+c1c(c2c(nc1CCC)ccc([N+]([O-])=O)c2)Cl	120
+n1c2ccc(cn2c(-c3nc(Cl)ccn3)c1)F	64
+n1cc(I)c(c(C#N)c1)Cl	120
+n1ccc(nc1Nc2cccc(-c3csc(n3)C)c2)Cl	64
+n1cccc2c(Cl)nccc12	3012
+c1nc(Cl)nnc1-c2ccccc2F	8969
+n1nn2c(c([N+](=O)[O-])c(c3c2cccc3)Cl)n1	3014
+c1cc2c(nnc(-c3cscc3)c2cc1)Cl	218
+C(c1ccncc1Cl)(=O)Cl	82
+Clc1c2c(c(ncn2)Cl)ccc1	569
+Clc1cc(cc(OC)c1)CCl	109
+Clc1cc(OC(C)C(OC)=O)c(cc1)CCl	109
+Clc1cc2oc(CCl)cc2c(Cl)c1	2240
+Clc1ccc(c(-c2c(cno2)CCl)c1)Cl	1703
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(Cl)=O)n2)c1	130
+c1(Cl)cccc(Cl)c1-c2noc(C(C)C)c2CCl	1703
+Clc1nc2c(cc1C(Cl)=O)cccc2	1082
+FC(F)(C(=O)Nc1cccc(OC(CCCCCCCCCCCC)C(=O)Cl)c1)C(F)Cl	130
+FC(F)(CCC(=O)Cl)Cl	130
+FC(F)(F)C(=O)N1CCC(CC1)c2ccc(cc2)C(Cl)=O	82
+FC(F)(F)C(C1=CC(=O)C(OCc2ccccc2)=C(N1C)CCl)O	8970
+FC(F)(F)C1CCC(CC1)C(=O)Cl	130
+FC(F)(F)CCN1CCC(CC1)C(Cl)=O	130
+FC(F)(F)CCOc1c(Cl)cc(c(c1Cl)C(=O)Cl)F	82
+FC(F)(F)CCSCCC(Cl)=O	130
+FC(F)(F)CNC(=Nc1cccc(c1)CCl)N	8971
+FC(F)(F)COc1cc2c(cc1OC)c(Cl)ncn2	569
+FC(F)(F)CSCC(=O)Cl	130
+FC(F)(F)Oc1cc(C(Cl)=O)cc(C#N)c1OC	82
+FC(F)(F)Oc1c(OC)c(cc(C(=O)Cl)c1)Cl	82
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(n2)C)CCl	512
+FC(F)(F)Oc1ccc(cc1)OCC(=O)Cl	130
+FC(F)(F)c1c(-c2[nH]c3ccc(C(=O)Cl)cc3n2)c(Cl)ccc1	82
+FC(F)(F)c1cc(ccc1OCC2CC2)CCl	109
+FC(F)(F)c1cccc2c(n(-c3ccccc3)nc12)Cl	8972
+FC(F)(F)c1c(C#N)cc(-n2nnnc2CCl)cc1	2176
+FC(F)(F)c1c(cccc1)S(=O)(=O)Nc2c(nccn2)-c3ccc(cc3)CCl	109
+FC(F)(F)c1c(C(Cl)=O)sc(C)n1	8973
+FC(F)(F)c1cc(ccc1)-c2nc(c(C(CC)Cl)cc2)C	4643
+FC(F)(F)c1cc(c(c(c1)[N+]([O-])=O)Cl)C(Cl)=O	82
+FC(F)(F)c1c(OCCCCCCC)ccc(CCl)c1	109
+FC(F)(F)c1cc(c(c(c1)OC)C(=O)Cl)SC	82
+FC(F)(F)c1cc(ccc1CC2CCCCC2)CCl	109
+FC(F)(F)c1cc(nc(c1C(Cl)=O)Cl)Cl	1082
+FC(F)(F)c1ccc(cc1)-c2cc(c(s2)CCl)C	3016
+FC(F)(F)c1ccc(cc1)-c2cnc(CCl)cc2	512
+FC(F)(F)c1ccc(cc1)CC(Cl)=O	130
+FC(F)(F)c1ccc2c(c(cnc2c1)CCl)O	447
+FC(F)(F)c1csc(CCl)c1	3016
+FC(F)(F)c1ncc(-c2nc(c(cn2)CCl)CCOC)cc1	4644
+FC(F)Oc1c(F)c(C(=O)Cl)cc(c1F)F	82
+FC(F)Oc1cc(nn1C)-n2c(C)c(C(Cl)=O)cn2	3017
+FC(F)c1c(c(n(n1)C)F)C(Cl)=O	3017
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3nc(cs3)C=4CC(ON=4)c5c(CCl)cccc5	109
+FC1(F)Oc2c(ccc(CCl)c2)O1	109
+C1CC1(c2ccc3OC(F)(F)Oc3c2)C(=O)Cl	130
+Fc1c(cc(c(C(=O)Cl)c1)Cl)F	82
+Fc1c(F)cc(c(c1)C(=O)Cl)Br	82
+c1c(F)c(c(cc1C(Cl)=O)F)OCC#C	82
+c1(cncc(F)c1N=C(c2c(Cl)cccc2[N+](=O)[O-])Cl)F	3018
+c1(cncc(F)c1N=C(c2c(cccc2F)Cl)Cl)F	3018
+c1(c(C#N)cccc1C(Cl)=O)C	82
+N1(c2c(C(=O)N(c3ccc(Cl)nc13)C)cc(CCl)cn2)CC	447
+N1=NN(c2c(Cl)ccc(C(Cl)=O)c2Cl)C(=O)N1C	82
+Nc1ccc(C(Cl)=O)cc1[N+]([O-])=O	82
+n1snc2nc(ccc12)Cl	8974
+c1(c(c(C(=O)OC)cc2nsnc12)N)Cl	8975
+O(C)CCCCOc1cc(ncc1)CCl	512
+O(C)c1c(CCl)cnc(C)c1Cl	447
+C(c1c(OC)ncc(F)c1)(=O)Cl	1082
+O(c1c(CCl)cc(F)c(C)n1)C	447
+O(c1c(OC)cc2c(c(ncn2)Cl)c1)C(C)=O	569
+O(c1c2C(CCCc2nc(Cl)c1)Cl)C	4643
+C1(CCCc2cc(Oc3ncc(cc3)C(=O)N)ccc12)Cl	525
+O1c2c(OC1)c(Cl)cc(c2)CCl	109
+O1c2cc(cc(F)c2OC1)CCl	109
+c1(C(Cl)=O)cn(c2c1ccc(OC)c2)-c3c4ccccc4ncc3	1082
+O(c1cc(cc(OC(=O)C)c1)C(Cl)=O)C(=O)C	82
+C1Cc2c(-c3cccc(C(Cl)=O)c3C1)cccc2	82
+O=C1Nc2c(cccc2)C(C1)CCCl	221
+O=Cc1cc(C(Cl)=O)cc(C)c1	82
+c1cc(ccc1NS(=O)(=O)C)C(=O)Cl	82
+O=S(=O)(C)Nc1c(C(N2CCCC(C(Cl)=O)C2)=O)cccc1	130
+O=S(=O)(C)c1c(-c2nocc2)c(C)c(cc1)C(Cl)=O	82
+O=S(=O)(C)c1ccc(c(Cl)c1C(Cl)=O)C(=O)OC	82
+O=S(=O)(Cl)C1(CC1)CC=C	1439
+O=S(=O)(Cl)CCC1CCCC1	1439
+O=S(=O)(Cl)Cc1cc2c(cccc2)cc1	1439
+O=S(=O)(N(c1cccc2c1[nH]c(-c3sc(cn3)CCl)c2)C)c4cccs4	8976
+O=S(=O)(N)c1c(C)ccc(C(=O)Cl)c1	82
+O=S(=O)(C)Nc1cc(ccc1)C(C)Cl	525
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1)Cl)Cl	895
+O=S(=O)(Cl)c1cc(c(Br)c2c1cccc2)CCOC(C)=O	895
+O=S(=O)(Cl)c1c(C(C)=C)cccc1	895
+O=S(=O)(c1c(ccc(C)c1)[N+](=O)[O-])Cl	895
+O=S(=O)(N)c1cc(ccc1Cl)C(Cl)=O	82
+O=S(=O)(Cl)c1c(cc(c(C)c1)F)[N+]([O-])=O	895
+O=S(=O)(c1ccc(C(=O)Cl)c(c1C2=NOCC2)C)C	82
+O=S(=O)(c1ccc(c(c1)C(=O)O)Cl)N2CCC(CC2)CCl	221
+O=S(=O)(c1ccc(cc1)C)N2C(CC(=O)NCCc3ccc(cc3)CCl)C(NC=C2)=O	109
+O=S(=O)(Cl)c1c([N+](=O)[O-])cc(C)cc1	8977
+O=S(=O)(c1cc2c(ncnc2O)cc1)Cl	895
+O=S(=O)(c1cccc(c1)C=CC(=O)OC)Cl	895
+O=S(=O)(c1ccc2c(CCCC2Cl)c1)c3ccccc3	525
+O=S(=O)(c1c(nccc1)C(=O)Cl)CC	1077
+c1cc(ccc1S(=O)(=O)Cl)C#Cc2ncccc2	8978
+n1c(nc(Cl)c2ccccc12)-c3cc(ccc3)OC(=O)C	569
+c1cc([N+]([O-])=O)cc(-c2nc3ccccc3c(Cl)n2)c1	569
+[N+]([O-])(c1cc(-n2nccc2)c(Cl)nc1)=O	4496
+C(Cl)(c1cccc([N+]([O-])=O)c1C)=O	82
+c1(-c2nc3cc(c(OC(C)=O)cc3c(Cl)n2)OC)cc([N+]([O-])=O)ccc1	569
+Clc1c(C(Cl)=O)c(C)ccc1	82
+c1c([N+]([O-])=O)c(F)c(C(Cl)=O)c(F)c1	82
+c1(I)c(OC)c(Cl)cc(C(Cl)=O)c1	82
+C(c1cc2c(s1)nc(Cl)cn2)(=O)Cl	2115
+Clc1cccc2cc(C(Cl)=O)sc12	2115
+c1(C)nc(Cl)cc(c1)CCl	109
+c1(Cl)cc(cc(Cl)c1C(Cl)=O)[N+](=O)[O-]	82
+Clc1cc(cc(Cl)c1C(C(Cl)=O)c2ccc(cc2)Cl)N3N=CC(NC3=O)=O	130
+Clc1cc(cc(Cl)c1OCCCCCCCCCCCC)C(Cl)=O	82
+c1(Cl)ccnc(CCl)c1	512
+Fc1ccc(cc1CCl)C#Cc2cc(C#N)cnc2	109
+c1(Nc2ccnc(n2)Nc3cccc(C(Cl)=O)c3)c(Cl)ccc4OCOc14	82
+c1(Nc2nccc(CCl)c2)nc(C)cs1	109
+c1(OC(C)=O)cc(C)cc(C(Cl)=O)c1C	82
+c1(OC)c(OC)c(cc2nc(ccc12)CCl)OC	512
+C(COc1ccnc(CCl)c1C)O	512
+C(Cl)c1c(Oc2cc(ccc2)F)cccc1	109
+C(C(Cl)=O)c1ccc([N+]([O-])=O)cc1Cl	130
+c1([N+]([O-])=O)cc2c(ncnc2cc1F)Cl	569
+c1(CCl)c(C)nccc1	447
+c1(c(c(F)c(cc1C(Cl)=O)F)Br)F	82
+c1c(I)c(c(c(CC)c1I)I)-c2ccc(C(Cl)=O)c([N+]([O-])=O)c2	82
+C(Cl)(c1c(nccc1)Nc2cc([N+]([O-])=O)ccc2)=O	1082
+c1(cc(C(Cl)=O)ccc1[N+]([O-])=O)OC	82
+c1(cc(cc2c1OCO2)CCl)OC	109
+c1c(OC)c(O)c([N+]([O-])=O)cc1C(Cl)=O	82
+c1c(C(Cl)=O)cc(C)c(OCC#C)c1OC	82
+c1cc2c(c(C(=O)Cl)c1)ccc(Oc3ccnc4c3cc(c(OC)c4)OC)c2F	82
+c1(c(CCl)cc2c(c(Cl)ccc2)n1)-c3c(cccc3)Cl	447
+c1(cccc(OCC(Cl)=O)c1)Br	130
+c1(ccccc1Cl)Oc2ccc(c(c2)CCl)OC	109
+c1(ccccc1Oc2cccc(CCl)c2OC)C	109
+c1c(F)c(c(cn1)F)N=C(c2c(cc(cc2Cl)C#N)Cl)Cl	3018
+c1(nc2c(cn1)cccc2)COc3cc(CCl)ccc3	109
+c1(nc2c(s1)cccc2)Oc3ccc4oc(cc4c3)CCl	2240
+O1COc2c(nccc12)CCl	512
+O=C(c1cc2c(s1)nccn2)Cl	2115
+c1(F)c(CCl)cc2OCOc2c1	109
+c1(C(=O)Cl)cc2c(C(=O)c3c(O2)cccc3)cc1	82
+C(c1c(c2c(c(Cl)ccc2)nc1)O)(Cl)=O	1082
+c1(oc2cccc(c2n1)C#N)Cl	4645
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(C(Cl)=O)cc4C	82
+c12cc(ccc1cc(CCl)cc2)C	109
+c1nc(cc2ccccc12)C(Cl)C	4646
+c1ccc2c(c1)nc3c(cccc3)c2C(=O)Cl	82
+c1c(Br)c(OC(C(Cl)=O)CCC)ccc1	130
+C(c1c(OC(=O)OCC)cccc1)(Cl)=O	82
+C(Cl)(c1cccc(F)c1C)=O	82
+c1c2c(ccc1)c(C)ccc2C(Cl)=O	82
+c1c(C(=O)Cl)cc(cc1)C#C	82
+O=S(=O)(c1c(cc(cc1C)OCC(=O)Cl)C)Cl	130
+C(Cl)(=O)c1c2c(ccc1)Sc3ccc(cc3C2=O)C	82
+c1ccc(OCCOC)c(OC)c1CCl	109
+c1c(CCl)c2c(ccc(OC)c2)cc1	109
+c1(ccc2nc(nn2c1)Br)CCl	447
+Clc1cc(cc(Cl)c1C(Cl)=O)Cl	82
+c1c(Cl)c(c(cc1Cl)Cl)CCl	109
+Oc1c(cc(Cl)cc1[N+](=O)[O-])C(c2cc(Cl)cc([N+](=O)[O-])c2O)Cl	1440
+Fc1cc(cc(F)c1CC(Cl)=O)Br	130
+c1c(OC(C)=O)c(C)c(C(Cl)=O)c(C)c1	82
+c1c(OC)c(OC)ccc1CCN(CCCl)C	221
+COc1cc(cc(OC)c1Cl)-c2cc(CCl)ccn2	109
+c1cccc(C2(Cl)c3c(ccc(c3)C#N)NC2=O)c1OC	8979
+c1c(OC)c(c(c(F)c1)F)CCl	109
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(n2)CCC(Cl)=O)Cl)OC	130
+c1c(c2c(c3n(nc(n3)CCl)c(n2)N)cc1)COC	2176
+c1c(cc(cc1)CCl)OC(C)C(OC)=O	109
+c1c(cc(CC(Cl)=O)c(C)c1)Br	130
+c1c(cc(C(Cl)=O)c(Cl)c1)Br	82
+c1c(cc(c(c1)Cc2c(nn(-c3c(Cl)ccc([N+]([O-])=O)c3)c2C(Cl)=O)CCCC)F)Br	1077
+c1c(ccc(-c2c(cno2)CCl)c1F)F	1703
+c1c(nc(c(C)c1)CCl)C#N	512
+c1cccc2C(=O)N(C(=O)c12)CC(=O)Cl	130
+c1c2C=C(C(=O)Cl)CCOc2ccc1	3019
+c1(oc2c(ccc(c2)O)n1)Cl	4645
+c1cc(c(cc1I)CCl)Br	109
+c1(ccc(C)nc1)CCl	447
+c1cc(cc([N+]([O-])=O)c1OCC)CCl	109
+c1cc(CCl)cc(c1OC)C#N	109
+c1cc(ncc1Br)CCl	512
+c1cc(Cl)c(c(Cl)c1OC(C)C(Cl)=O)C	130
+C(Cl)(=O)c1cc(ccc1[N+]([O-])=O)F	82
+COc1c(C(Cl)=O)c(ccc1)CCCCCCCCCCCCCCC	82
+c1cc(cc(c1OCC#C)OC)CCC(Cl)=O	130
+c1cc(ccc1)-c2c(F)cc(cc2)-c3nc(Cl)c4cc(c(cc4n3)OC)OC(C)=O	569
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Cl)=O)n2	82
+c1cc(ccc1)-c2ccc(c(C(Cl)=O)n2)C	1077
+c1cc(ccc1)-c2nc(c3CN(C)CCCn23)C(=O)Cl	8980
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CCl	109
+c1cc(ccc1)C(Nc2ccc(c3ccccc23)S(=O)(=O)Cl)=O	895
+c1cc(ccc1)C(Oc2cc(C(Cl)=O)ccc2OC)=O	82
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)SC=Cc4c(CCl)ncs4	8981
+c1ccccc1C2=C(CN(C(=O)C)CC2)CCl	8982
+c1cc(ccc1)C2=CN(CCCCl)C(=O)c3ccccc23	221
+c1cc(ccc1C(Cl)Cc2ccccc2)CCCC(=O)OC	525
+c1cc(ccc1)CN2CCC(C2)CCl	221
+c1ccccc1COc2cc(OCc3ccccc3)c(C(Cl)=O)cc2Br	82
+c1ccccc1COc2c(ccc(OCc3ccccc3)c2)CCl	109
+c1cc(ccc1)COc2ccc(C=CC(Cl)=O)cc2OC	3020
+c1cc(ccc1)Oc2c(c(NCCCCCCl)c(c(n2)C)C)[N+]([O-])=O	221
+c1cc(ccc1Cl)-c2ccc(C)c(c2)CC(=O)Cl	130
+c1cc(ccc1C(Cl)C)-c2ccc(cc2)Cl	525
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)Cl	8983
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)OCC(Cl)=O	130
+c1ccccc1-c2ccc(cc2)-c3nocc3CCl	1703
+c1cc(ccc1CCl)-c2sc3c(nccc3Oc4ccc([N+]([O-])=O)cc4F)c2	109
+c1cc(ccc1-n2c(ncc2C(C)(C)c3ccc(Cl)c(Cl)c3)CCl)F	2176
+c1cc(ccc1C#Cc2cc(F)ccc2)C(=O)Cl	82
+c1cc(ccc1C#N)CC(NC2CCN(CC2)C(CCl)C)=O	221
+c1cc(ccc1C(=CC(=O)Cl)c2ccccc2)[N+](=O)[O-]	3020
+c1cc(ccc1CC(C)=O)C(=O)Cl	82
+c1cc(ccc1OC(=O)C)C(Cl)=O	82
+c1cc(ccc1C(Cl)=O)OCCCCCC	82
+c1cc(ccc1C(Cl)=O)Oc2cc(N3N=C(N(C3=O)C(F)F)C)c(F)cc2Cl	82
+c1cc(ccc1C(C(C)C)C(Cl)=O)N=[N+]=[N-]	130
+c1cc(ccc1C(c2cnccc2)CCCCCl)F	221
+c1cc(ccc1-c2ccc(cc2)C(Cl)=O)OCCCCl	82
+c1cc(ccc1-c2ocnc2C)C(=O)Cl	82
+c1cc(ccc1C(=O)Cl)C2(SC(=NC(c3ccc(cc3)F)C)NC2=O)C	82
+c1cc(ccc1C(=O)Cl)NC(c2c(C)cccc2)=O	82
+c1cc(ccc1F)C(c2ccc(cc2)F)(C(=O)Cl)CCCBr	130
+c1cc(ccc1C(c2ccccc2)=O)C(Cl)=O	82
+c1cc(ccc1C=CC(Cl)=O)C	3020
+c1cc(ccc1C)S(=O)(=O)Oc2c(ccc(CCl)c2)OC	109
+C1CC(CCC1c2ccc(cc2)C(Cl)=O)CCC	82
+c1cc(ccc1C)C=C(C)CCl	8984
+c1cc(ccc1C=CCCl)C#Cc2ncc(cc2)-c3ccc(cc3)Cl	8985
+c1cc(ccc1C(Cl)=O)C=O	82
+c1cc(ccc1C(C)Cl)CC=C(C)C	525
+c1cc(ccc1CCC(=O)Cl)OCC=C	130
+c1cc(ccc1CCC)OC(C)C(Cl)=O	130
+c1cc(ccc1CCCCOCCCCBr)C(=O)Cl	82
+c1cc(ccc1CCCl)-n2c3c(c(C)cc(C)n3)nc2CC	221
+c1cc(ccc1CCS(=O)(=O)Cl)Br	1439
+c1cc(ccc1CN2C(C(=C(C(=C2)CCl)C(=O)OC)Cl)=O)OC	8986
+c1cc(ccc1CCl)-c2[nH]c3ncnc(NCc4ccc(nc4)OC)c3c2	109
+c1cc(ccc1CCl)-c2occ(n2)C(=O)OCC	109
+c1cc(ccc1OC(C)C(=O)OC)CCl	109
+c1cc(ccc1CCl)Sc2c(O)nc(nc2C)N	109
+c1cc(ccc1Cc2c(C)nc(N)nc2NCCCCC)CCl	109
+c1cc(ccc1OCCCCl)Cc2c(NCCCCC)nc(N)nc2C	221
+c1cc(ccc1Cc2c(OCc3ccccc3)cccc2)CCl	109
+c1cc(ccc1Cl)-c2c(cncc2)CCl	447
+c1cc(ccc1Cl)-c2cncc(CCl)c2	447
+c1cc(ccc1-n2c(c(C(=O)Cl)cn2)C)Cl	3017
+c1cc(ccc1Cl)C(=O)c2cccc(c2C)C(Cl)=O	82
+c1cc(ccc1C(Cl)c2ccc3c(c2)c(cc(n3)O)-n4ccnc4)Cl	1440
+c1cc(ccc1Cl)C(Cl)c2ccccc2Cl	1440
+c1cc(ccc1Cl)C(Cl)c2cccc(c2)Br	1440
+c1cc(ccc1Cn2nc(cc2-c3cc(C)c(Cl)cc3)C(Cl)=O)C	1077
+c1cc(ccc1F)-c2ccc(c(C)n2)CCl	447
+c1cc(ccc1F)-n2nc(c(OCC)c2)C(=O)Cl	1077
+c1cc(ccc1F)C(=O)c2cncc(CCl)c2	447
+c1cc(ccc1I)-n2cc(nc2)CCl	3221
+c1cc(ccc1CC(Cl)=O)I	130
+c1cc(ccc1N2C=CC=CC2=O)C(=O)Cl	82
+c1ccccc1COc2ccc(cc2)N3C(CC(CCl)C3)=O	221
+c1cc(ccc1Nc2ncc(cn2)CCl)Cl	4644
+c1cc(ccc1OC(=O)C)C=C(C)C(Cl)=O	3019
+c1cc(ccc1C(Cl)=O)OCC#CC	82
+c1cc(ccc1C=O)OCC(Cl)c2ncc(cc2)CC	4646
+c1cc(ccc1OCC)CC(Cl)=O	130
+c1cc(ccc1C(Cl)=O)-c2ccc(cc2)OCCCCCCCCCC	82
+c1cc(ccc1OCCc2ncc(CCl)cc2)[N+]([O-])=O	447
+c1cc(ccc1OCc2csc(-c3ccccc3)n2)CCl	109
+c1cc(ccc1Oc2c(CCl)cc(cc2)C)C	109
+c1cc(ccc1S(=O)(=O)n2c3nccc(CCl)c3cc2-c4c5c(n(C)c4)cc(c(OC)c5)OC)C	109
+c1cc(ccc1SC)CC(Cl)=O	130
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(=O)Cl	130
+c1cc(ccn1)OCCOc2cc3ncnc(Cl)c3cc2OC	569
+C1(Cl)CCOc2cc(ccc12)F	525
+c1cc2c(cc(cn2)C#N)cc1CCl	109
+c1cc2c(cccc2)nc1COc3cc(CCl)ccc3	109
+c1ccc2c(C(=O)N(C2=O)C(C(=O)OC)(CC(Cl)=O)CF)c1	130
+c1ccc2c(c1)cc3c(cccc3)c2C(=O)Cl	82
+c1cccc2C=Cc3ccccc3C(c12)Cl	1440
+c1ccccc1-c2cn(-c3ccc4nc(c(cc4c3)Cc5ccccc5)Oc6c(C(Cl)C)cc(F)cc6)nn2	525
+c1cc(ccc1C(Cl)c2ccccc2)Cl	1440
+c1ccccc1C(c2ccccc2)=C(C#N)C(=O)Cl	3019
+c1ccccc1C2(c3ccccc3)C(N(CC)CC2CCCl)=O	221
+c1ccccc1CC(NCCc2c3c(ccc2)ccc(c3)C(=O)Cl)=O	82
+c1ccccc1CCN2C3CC(CC2CC3)=C(c4ccccc4)c5ccc(cc5)C(Cl)=O	82
+c1ccccc1CCOc2c(CCCCCl)cc(cc2)Cl	221
+c1ccccc1CCOc2c(cc(cc2)Cl)CCCCl	221
+c1ccccc1COC(NCCS(=O)(=O)Cl)=O	1439
+c1ccccc1COc2c(c(OC)cc(n2)C)CCl	447
+c1ccccc1COc2cc(F)cc(c2OC)CCl	109
+c1ccccc1COc2cc(F)c(cc2)C(Cl)=O	82
+c1ccccc1COc2cc3c(C(N(CC(C)C)C(=C3c4ccccc4F)CCl)=O)cc2	8987
+c1ccccc1COc2cc3C(=C(N(CC(C)C)C(c3cc2)=O)CCl)OCCCC	3750
+c1ccccc1COc2ccc(cc2)CCCCCCCS(=O)(=O)Cl	1439
+c1ccccc1COc2ccc(C(=O)Cl)cc2Cl	82
+c1ccccc1COc2ccc(CCl)cc2[N+]([O-])=O	109
+c1ccccc1COc2c(cccc2)CCl	109
+c1ccccc1OCCCCC(CCl)C	221
+c1ccccc1Oc2ccccc2Cn3nc(C(Cl)=O)cc3	1077
+c1ccccc1Oc2cc3C(C=C(C(=O)Cl)Oc3cc2NS(=O)(=O)C)=O	8988
+c1ccccc1Oc2cccc(Oc3ccccc3)c2C(Cl)=O	82
+c1ccccc1Sc2c(cc(Br)cc2)CCl	109
+c1ccccc1Sc2ccc(F)cc2CCl	109
+c1cccn1-c2cc(ncc2)CCl	512
+c1n2c(nc1)ccc(CCl)n2	512
+c1nn(c2c1C(CCCl)CCC2)-c3cc(c(cc3)Cl)Cl	221
+c1c(ccc2n(c(nc12)CN(CCC)C(c3c(F)ccc(F)c3)=O)CCC)CCl	109
+n1[nH]c2c(C(N(C(=O)N2CCCl)CCCC)=O)c1NC	221
+n1c(Br)ccc(c1)C2N(c3c(Cl)cccc3)N=C(C2)C(=O)Cl	3586
+ClC(COc1nc(c(Cl)cc1Cl)F)=O	130
+n1c2c(n(CCCCCl)c1)cccc2	221
+n1onc2cc(C(=O)Cl)ccc12	82
+o1c(c(c2c1ccc(Br)c2OC)C)CCl	2240
+o1c2c(cc(cc2)C(=O)OC)c(c1CCl)C	2240
+s1c2cc(ccc2cc1CCl)Oc3sc4c(nccc4)n3	3016
+c1(C(=O)O)cncc(-c2sc(Cl)nc2)c1	8989
+c1(C=O)c(Cl)[nH]c(-c2cccnc2)n1	614
+c1(nc(-n2c3ccccc3nc2Cl)nc(Cl)n1)C	4647
+C1COC2(O1)CCN(CC2)c3nc4ccccc4[nH]3	2071
+c1cc(ccc1)C(c2ccccc2)(O)C3CCN(CC3)c4nc5c(cccc5)[nH]4	2071
+c12n(c(nc1cccc2)Cl)-c3ncnc(Cl)c3	4648
+O=Cc1ncc(-c2c(Cl)cc(cn2)C(=O)OC)cc1	501
+c12ccccc1n(cc2C(=NO)C)-c3c(Cl)cc(C(=O)N)cc3	1375
+c1cc(ccc1)C(NC(=O)Nc2cc(Cl)c(c(COC)n2)C#N)C	2077
+N#Cc1cnc2c(ccs2)c1Cl	1014
+c1cc(ccc1)NCC(Nc2cccc(Cl)c2C(O)=O)=O	4649
+c1cc(ccc1OCC)C(=O)c2cc(c3c(c2Cl)CC(O3)C)Br	358
+c1ccccc1CONC(=O)c2c(nc(Cl)c(F)c2)Cl	1546
+Clc1cc(c(-c2c(C(=O)OC)cncc2)cc1)F	699
+Clc1c(c(F)ccc1)C(C)CO	88
+c1ccccc1NC(=O)c2c(Cl)cccc2C	50
+FC(F)(F)C(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)(CNC(=O)c3c(cccc3F)Cl)O	93
+c1(c(ccnc1Cl)NC(=O)c2c(Cl)cccc2F)F	50
+c1cc(ccc1F)S(=O)(=O)N2c3cc(c(C)cc3CCC2)NC(c4c(F)cccc4Cl)=O	50
+c1(Cl)c(cc(F)c(C)n1)C(=O)OC	4650
+c1cc(ccc1N=C(c2cc(Cl)c(C)cc2)N)S(=O)(=O)C	1748
+FC(F)C(=O)CC(c1ccc(C)c(Cl)c1)=O	2201
+Clc1c(CC)c(F)ccc1	1393
+c1(ccc(F)c(CC)c1Cl)C(=O)C	94
+S(c1[nH]c2c(n1)ccnc2)Cc3c(F)cccc3Cl	8990
+Clc1c(COc2cccnc2N)c(Cl)c(F)cc1	161
+c1cc(ccc1C2CC(N(CC(Oc3c(Cl)c(Cl)c(c(Cl)c3Cl)Cl)=O)C2)=O)Cl	2850
+NCCNc1c([N+](=O)[O-])cc(Cl)c(Cl)c1	205
+c1cc(ccc1)C(c2ccccc2)N3CCN(CC3)CCCNc4cc(Cl)c(cc4[N+]([O-])=O)Cl	53
+c12cc(Cl)c(Cl)cc1OCC(=O)N2	1290
+c1cnc(Cl)c(Cl)c1I	916
+c1cc(ccc1-c2c(cccn2)Cl)C(O)=O	140
+c1c(CCCO)c(F)c(Cl)cc1	213
+c1cc(ccc1OC)C(c2c(c(ccc2)Cl)F)=O	705
+O=Cc1cc(F)c(Cl)cc1O	502
+O=S(=O)(Nc1ncc(cc1)F)c2ccc(Oc3cc(Cl)c(F)nc3)c(C#N)c2	551
+O=S(=O)(c1c(ccc(NC(=O)Nc2c(cccc2)Cl)c1O)Cl)NCC	124
+c1cnccc1-c2c(-c3cccc(NC(=O)Nc4c(Cl)cccc4)c3)cn(CC)n2	124
+c1(I)c(OC)c(Cl)cc(c1)C(=O)OC	297
+c1cc(ccc1CN2C=C(C=C(Cl)C2=O)[N+](=O)[O-])OC	8991
+c1(cc(c(Cl)cc1Cl)OC)CC(O)=O	459
+OC(c1cc(Cl)c(SC)nc1)C	652
+Nc1cccc(Cl)c1SCCCCl	0
+Nc1c2c(ccc1Cl)nc(C)cc2	0
+Nc1c(Cl)ccc(C#N)c1	0
+FC(F)(F)CCCNc1ccc(cc1[N+](=O)[O-])C#N	205
+c1cc(ccc1)-c2c([N+](=O)[O-])cc(C#N)cc2	667
+Nc1ccc(C(=O)c2ccccn2)cc1[N+]([O-])=O	4651
+c1cc(ccc1Nc2sc(C(c3ccc(c([N+]([O-])=O)c3)Cl)=O)c(N)n2)N4CCN(CC4)C	4652
+Clc1c([N+]([O-])=O)cc(C)c(c1)C(=O)O	4653
+Nc1cc(OCC(OC)=O)ccc1Cl	0
+c1(Cl)cc(NC(c2ccc(c(Cl)c2)Cl)=O)c(cc1N)O	0
+Nc1c(Cl)cc(O)c(F)c1	0
+c1([N+]([O-])=O)cc(ccc1NC)C(=O)OC	205
+COc1cc(c(F)cc1)-c2c([N+]([O-])=O)cc(cc2)C(=O)OC	667
+c1cc(ccc1Br)C(C)Oc2ccc(c(c2)[N+]([O-])=O)Cl	8992
+Nc1cc2CN(C(c2cc1Cl)=O)C	0
+c1(I)c(nccc1Cl)NN	383
+FC(F)(F)c1c(Cl)nccc1OCC(c2c(cccc2Cl)F)C	260
+FC(F)(F)CCN1CC(N(Cc2c(cccc2F)Cl)c3ccc(C#N)c(c3)Cl)CC1	507
+Brc1nc2c(C(N(C(=O)N2C)C)=O)n1Cc3c(F)cccc3Cl	371
+C1CC1NS(=O)(=O)c2c(ccc(NC(=O)Nc3c(Cl)c(ccc3)Cl)c2O)Cl	124
+c1ccccc1-c2c(c([N+]([O-])=O)ccc2)F	667
+C(c1cccc(Cl)c1C)(=O)OC	4654
+c1c2c(CCC(C)N2)c(c(Cl)c1)Cl	2648
+Nc1c2cc(C)n(C(=O)OC)c2ccc1Cl	0
+O=Cc1cc(-n2nccc2)ccc1Cl	760
+C1CC1c2c(nc(c(C#N)c2)Cl)Cl	8993
+Ic1c(C#N)c(Cl)nc(Cl)c1F	916
+c1(nc(C)ccc1C(=O)O)N	664
+c1(C(NCC(CC)O)=O)ccc(C)nc1Cl	56
+FC(F)(F)S(=O)(=O)Nc1ccc(cc1Oc2c(Cl)cc(cc2)Cl)Cl	1422
+c1c(-c2ccc(cc2Cl)O)c(ccc1)F	11
+c1nc(ncc1COC)N2CCC(CC2)C3C(CCOc4ccc(c(Cl)c4)Br)C3	20
+O=S(=O)(NC(=O)c1c(cc(COc2cc(c(C#N)cc2)Cl)c(F)c1)F)N(C)C	22
+C(O)c1ccc(O)cc1Cl	49
+Clc1c(ccc(C(=O)C)c1)Br	1024
+c1([N+]([O-])=O)ccc(Cl)c(c1)CC(=O)O	77
+Clc1cc(ccc1)Nc2nccc(-c3cccnc3Cl)n2	55
+FC(F)(F)c1c(cc(cc1)C(=O)OCC)Nc2c(-c3ccncn3)cccn2	201
+FC(F)(F)Oc1cc(c(O)cc1)NC(=O)c2c(cncc2)Cl	67
+c1cc(ncc1CO)NCc2ccncc2Cl	295
+O(c1c(c(cc(c1OC)OC)C)C(c2c(c(Br)cnc2OC)Cl)=O)C	814
+c1cccc2CCc3ccncc3C(NC(NNc4c(cc(C(O)=O)cn4)Cl)=S)c12	8994
+FC(F)(F)COc1cc(Cl)c(C(C)=O)nc1	4655
+O=S(=O)(C)OCC1Cc2cccc(Cl)c2O1	7
+C(c1c2cccc(Cl)c2oc1)C#N	8995
+c1cc(ccc1)Oc2cc(C)nc3C(CCCc23)O	242
+c1(ccc(Cl)c(-c2ncnc3c(Cl)cccc23)c1)OC	198
+Clc1c2CCNCCc2cc3c1NC(=O)CC3	215
+[N-]=[N+]=Nc1cc(nc2c(ccc(F)c12)F)C	1756
+c12CCNCCc1cccc2Cl	2436
+O=S(=O)(C)c1ccc(cc1)Oc2cc(-c3c4c(c(N)n[nH]4)ccc3)nc5n(ncc25)C	8996
+c1c(c(cc(c1)CNc2c3ccccc3nc4CN(C(=O)c24)CC)Cl)OC	105
+C(c1cc(Cl)c2c(nccc2)c1N3CC(CC3)F)(N)C	474
+C(c1cc(Cl)c2c(nccc2)c1N3CC(CC3)O)(N)C	474
+Clc1c2c(nccc2)c(c(C(=O)C)c1)N3CC(CC3)O	1024
+c1ccccc1Nc2c3c([nH]c4CCNCc34)ncc2	698
+c1(cc2ncc(c(Nc3cccc(c3)N)c2cc1OC)C#N)OC	179
+c1cc(ccc1)S(=O)(=O)n2ccc3c2ncc(c3Cl)Br	276
+C1(=CC(C(=O)OC)=C(c2cc(F)ccc2)[N+](C1=C=[N-])=O)Cl	8997
+FC(F)(F)Oc1cc(cc(-c2n(nc(C(=O)N3CNC(=O)C3)c2)-c4cncc(c4)Cl)c1)Br	8998
+FC(F)(F)Oc1cc(cc(c1)Br)-c2cc(C(O)=O)nn2-c3cncc(c3)Cl	8999
+Clc1cc(-c2cc3[nH]c(NC(c4nc5cccc(Cl)n5c4)=O)nc3cc2)cc(c1)F	4021
+Clc1cccc(-c2sc(cc2Br)C(=O)OCC)c1	1191
+Clc1cc(-n2c3c(cc(OC)cc3)cc2)c(NCC(=O)O)cc1	3
+Clc1cc(c(N)c(N)c1)Br	0
+Clc1cc(Br)c(OC)c(N)c1	0
+Clc1cc(c(cc1)CC[N+](=O)[O-])Br	364
+FC(F)Oc1c(Br)cc(Cl)cc1	824
+N#Cc1c(Br)cc(Cl)cn1	942
+Clc1cc(c2[nH]ccc2c1)C(=O)O	9000
+c1(cc(c(c(Cl)c1)Cl)Br)OC	9001
+Clc1cc(Br)cc(OCC(CNC)O)c1	122
+Clc1cc(Br)cc(Oc2c3c[nH]nc3ccc2Cl)c1	9002
+Clc1cc(Br)cc(Oc2c3c([nH]cn3)ccc2Cl)c1	631
+Clc1cc(Br)cc(Oc2c(Cl)ccc(N)c2N)c1	0
+Clc1cc(Br)cc(Oc2c(N)c(OC)ncc2COCC)c1	382
+Clc1cc(C#N)cc(Oc2c(N)c(OC)ncc2CO)c1	160
+Clc1cc(Br)cc(Oc2c(N)c(OC)ncc2CO)c1	665
+Clc1cc(Br)cc(Oc2c(ccnc2O)C)c1	3021
+Clc1cc(Br)cc(Oc2c(ccnc2NN)C)c1	383
+Clc1cc(C#N)cc(Oc2c3c([nH]cn3)ccc2Cl)c1	160
+Clc1cc(C#N)cc(Oc2c3c[nH]nc3ccc2Cl)c1	160
+c1cc(ccc1CNc2c([N+](=O)[O-])cnc(Br)c2)OC	105
+Clc1cc(c(cc1)-n2ncnc2)C#N	9003
+n1(-c2cc(C#N)c(cc2)[N+]([O-])=O)ccnc1	2067
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(CN)c2F)c1	1551
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(c2F)CNC(c3cc4c(c(C)ccc4)[nH]3)=O)c1	81
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(c2F)CNC(c3cc4cc(ccc4[nH]3)OCCSC)=O)c1	81
+Clc1cc(C#N)cc(Oc2c(c(C)ccc2N)F)c1	0
+Clc1cc(C#N)cc(Oc2c3c(Cl)n[nH]c3ccc2Cl)c1	2209
+Clc1cc(C#N)cc(c1)OC2=C(C)C=CN(CCc3n[nH]c4ncccc34)C2=O	1002
+Clc1cc(ccc1-n2cc(C(C)=O)c3ccccc23)C#N	1995
+c1c(c(Nc2cc(C#N)ccc2[N+]([O-])=O)ccc1F)F	1370
+c1c(C#N)c(Cl)cc(C(=O)C)c1O	160
+c1(I)c(c(C(=O)C)cc(Cl)c1C)O	235
+Clc1cc2c(N=C(c3cc(nn3-c4ncccc4Cl)Cl)OC2=O)c(C)c1	2241
+Clc1cc2c(N=C(c3n(nc(Br)c3)-c4ncccc4Cl)OC2=O)c(C)c1	4656
+Clc1cc(CO)cc(OC)c1	49
+Clc1cc(C(=O)OC)c(c(N)c1)C	0
+Clc1ccc(-c2nc(C)no2)c(CO)c1	98
+c1cc(ccc1CC2(C(C)(C)CN(CC2)CCCOc3c(cc(cc3)Cl)C(OC)=O)O)Cl	28
+FC(F)(F)S(=O)(=O)Nc1c(cc(cc1)Cl)C(=O)CC	1422
+Clc1cc(C(CC)=O)c(N)cc1	0
+c1(cc(Cl)c(cc1)C#N)C(NC(=O)c2cc(n3CCOCc23)C(=O)N4C(C)CCC4)CC	56
+Clc1ccc(OC)c(-c2oc(nc2)CCCCC(OC)=O)c1	4657
+FC(F)(F)c1cc(-c2ncc(nc2)NC(c3c(ccc(Cl)c3)[N+](=O)[O-])=O)ccc1	1542
+Clc1ccc(c(C(Nc2ncc(-c3cc(C)c(cc3)C)nc2)=O)c1)[N+]([O-])=O	1542
+Clc1ccc(c(C(Nc2nn(cc2)-c3ccc(c(C)c3)C)=O)c1)[N+]([O-])=O	330
+O=S(=O)(CC)NC1c2cc(Cl)cc(C)c2OCCC1	111
+Clc1cc(C2CC(c3cc(ccc3O2)O)O)ccc1	74
+Clc1cc(ccc1)C2Oc3c(CC2)cc(cc3)O	414
+O=S(=O)(C)N1c2c(C(c3cccc(Cl)c3)C1)cccc2	1632
+c1ccc2ccc(nc2c1)COCCCCOCc3cc(cc(C)c3OCC#N)Cl	149
+Clc1cc(cc(CC#N)c1)O	5
+C(c1cc(Cl)cc(I)c1O)n2nc(cc2C)C(=O)OCC	2202
+C1CC(CCC1Nc2cc(Cl)cc[n+]2[O-])NCc3ccccc3	1911
+c1cc(ccc1)CNC2CCC(CC2)CNc3[n+]([O-])cc(C)c(Cl)c3	1911
+Clc1cc(Cl)c(N2CCCn3c4c(CO)ccc(Cl)c4nc23)cc1	295
+Clc1cc(Cl)c(N2CCCn3c4c(c(Cl)ccc4C=O)nc23)cc1	200
+FC(F)(F)C(O)c1c2c(nc3N(CCCn23)c4c(Cl)cc(Cl)cc4)c(cc1)Cl	4658
+FC(F)(F)c1c2c(n(c(n2)Oc3c(C)cc(Cl)cc3Cl)C)c(C(CC)CC)cc1	2200
+Clc1cc(N)c(OC)c(Cl)c1	0
+O=S(=O)(C)NC1C(CCCC1)N2C(c3c(cccc3)C(C(=O)OCC)C2c4ccc(cc4Cl)Cl)=O	111
+[N+](=[N-])=Nc1cc(Cl)nc(C(=O)OC)c1Br	1756
+c1cc(ccc1)C#Cc2nc(cc(Cl)c2)N	2351
+Clc1cc(Cl)[n+](cc1)[O-]	103
+Clc1c(c(Cl)ncc1)I	625
+c1(ccnc(c1)Cl)Oc2cc(F)c(N)cc2	242
+c1(c(c(c(cc1)Oc2ccnc(c2)Cl)F)F)N	242
+Fc1cc(cc(F)c1Oc2cc(ncc2)Cl)N	242
+c1ccccc1-c2cc(Cl)ccn2	140
+Clc1cc(c(cc1)CN2C(=O)C=CC(Br)=C2)F	4659
+c1cc(ccc1Oc2ccc(cc2)CN(c3cccc([N+](=O)[O-])c3C)Cc4ccc(cc4F)Cl)CCC(OC)=O	507
+Clc1cc(c(cc1)C2=CC(=O)n3c(N2)c(cn3)-c4ncccc4)F	1915
+c1c(ccc(F)c1Cl)NC=O	9004
+c1cc(ccc1C(C)C(=O)Nc2c(C(=O)OC)c(cc(Cl)c2)Cl)[N+]([O-])=O	33
+Clc1cc(N)c(cc1)C=O	39
+Clc1ccc2c(NC(N2C3CC(C)N(CC3)C(=O)OC)=O)c1	1595
+Clc1cc(N)c(CO)cc1	49
+Clc1ccc2c(c1)nc(nc2)O	4660
+FC(F)(F)c1nn(c2c1CCN(C(OC(C)(C)C)=O)C2)CC(Nc3c(OC)ccc(Cl)c3)=O	33
+O=S(=O)(Nc1c(ccc(c1)Cl)SCc2cn(cn2)CCC)c3oc4c(c3)cccc4	2686
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3cc(c(cc3)[N+]([O-])=O)N	202
+Nc1c(cc(I)c(Cl)c1)[N+]([O-])=O	235
+Nc1cc(SC)ccc1[N+]([O-])=O	972
+c1(NC(C)=O)cc(Cl)c(cc1C(=O)OC)[N+]([O-])=O	31
+c1c(NC(C)=O)cc(C)c(C(=O)C)c1Cl	94
+c1(cc(Cl)cc(c1NC(c2n(-c3c(Cl)cccn3)nc(Br)c2)=O)Cl)NC(=O)OC	187
+Clc1cc(NC(OC)=O)c(N)c(Cl)c1	0
+Clc1cc(Nc2c(c(n[nH]2)N)C(=O)N)ccc1	9005
+FC(F)Oc1c(cc(cc1)CNc2n[nH]c(Nc3cccc(Cl)c3)c2C#N)O	811
+Clc1cccc(Nc2c(c([nH]n2)N=Cc3cccc(OCCO)c3)C(N)=O)c1	4661
+n1cccnc1Oc2ccc(cc2)CNc3[nH]nc(c3C(=O)N)Nc4cccc(c4)Cl	811
+c1ccccc1COc2c(c(Cl)cc(Cl)c2)C=O	22
+Clc1cc(c(CO)cc1)O	49
+O=S(=O)(Oc1cc(cc(c1)OC)Cl)C	444
+c1c(I)cc(c(Nc2c([N+]([O-])=O)cnc(O)c2)c1)F	179
+Clc1cc(c(CO)cc1)OC(C)C(OC)=O	41
+Clc1cc(OC(CCCI)c2cccs2)c(Cl)cc1	363
+c1cc(ccc1C(NCCc2c(cc(Cl)cc2OC)Cl)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	14
+Clc1cc(OC)c(c(Cl)c1)CCN	157
+c1(cc2c(cc1F)[nH]c(-c3ccc(cc3OC)Cl)n2)F	1127
+Clc1cc(c(CCC#N)cc1)OC	9006
+c1(c(cc(I)c(Cl)c1)[N+]([O-])=O)OC	235
+FC(F)(F)C1CCCN(C1)c2c(cc([N+](=O)[O-])c(c2)NC)Cl	202
+FC(F)(F)C1CCN(CC1)c2cc(c([N+](=O)[O-])cc2Cl)NC	202
+c1(O)cc(Cl)c(cc1N)Cl	0
+Clc1cc(N)cc(C)c1	0
+Clc1cc(c(-c2c(cncc2)C(=O)O)cc1)F	1
+Clc1cc2c(-c3c(cncc3)C(=O)N2C)cc1	9007
+Clc1cc(c(-c2c(C(NC)=O)cncc2)cc1)F	56
+Nc1cc(Cl)c(C)cc1Br	106
+C(c1c(c(C(=O)OC)ccc1Cl)O)C=C	423
+O=S(=O)(Cc1c2[nH]cc(C(c3c(F)cc(Cl)cc3)C4CC4C#N)c2ccc1)C	2523
+Clc1cc(c(c([N+]([O-])=O)c1)C)C(=O)O	31
+Clc1cc(OC)c(cc1)-c2cc(ncc2)O	9008
+Clc1cc(c(C2CC(=O)NC(=C2C(=O)O)C)cc1)F	127
+Clc1cc(c(C2CC(=O)NC(=C2C(Nc3cc(Cl)c4n[nH]cc4c3)=O)C)cc1)F	4662
+Clc1cc(OC)c(c(Cl)c1)CC[N+](=O)[O-]	364
+Clc1cc(c(C=C[N+]([O-])=O)c(Cl)c1)OC	417
+c1cc(ccc1N2C(c3c(C2)ccc(Cl)c3)=O)C(C)C	1473
+O=S(=O)(c1cc(c(cc1)Oc2c(ccc(Cl)c2)CCC#N)Cl)C	46
+Clc1cc(c(CCC#N)cc1)O	5
+c1ccccc1COc2cc(Cl)ccc2CO	22
+Clc1cc(c(cc1)COc2ccnn2-c3nccc(C#N)c3)OC(CC)C	4663
+Clc1cc(OCCC)c(cc1)COc2ccnn2-c3nccc(C#N)c3	4663
+Clc1cc(OC(CCCCl)c2cccs2)c(Cl)cc1	20
+n1cc(cnc1N2CCC(CC2)Oc3cc(ccc3Cl)Cl)-c4nn(nn4)CC(OCC)=O	20
+Clc1ccc(I)c(CO)c1	49
+c12c(cc(Cl)cc1C(OC(=N2)c3cc(Br)nn3-c4c(Cl)cccc4)=O)Cl	4656
+Clc1cc(c2c([nH]cn2)c1)Br	631
+Clc1cc(c(cc1)-n2nnnc2)C(=O)O	1441
+Clc1cc(c(cc1)N)C(Nc2ccccc2Cl)=O	67
+Clc1cc(c(N)cc1)C(=O)c2ccccn2	9009
+O=S(=O)(Nc1c(C(OC)=O)cc(cc1)Cl)c2cccc3nsnc23	4664
+Clc1ccc(N)c(C(O)c2c(OCC)c(ccc2)OC)c1	488
+O=S(=O)(Nc1c(cc(Cl)cc1)C(=O)c2ccccn2)c3ccc(cc3)OC	69
+c1cc(ccc1S(=O)(=O)Nc2c(cc(Cl)cc2)C(=O)c3ccccn3)C4(CCOCC4)C	69
+c1cc(ccc1S(=O)(=O)C)S(=O)(=O)Nc2c(C(c3cnccc3)=O)cc(cc2)Cl	69
+c1cc(ccc1-c2cnc(C)o2)S(=O)(=O)Nc3c(C(=O)c4ccc(nc4)C)cc(cc3)Cl	69
+O=C1c2ccccc2C(=O)N1c3c(F)cc(cc3)Cl	668
+c1cc(ccc1)-c2ccc(cc2F)Cl	4665
+Clc1cc(Oc2ccc([N+]([O-])=O)cc2Cl)c(N)cc1	46
+[N+]([O-])(=O)c1c(c(Cl)c(Cl)c(Cl)c1)N	196
+c1c(c(N)cc(c1Cl)Sc2cc(C)ccc2)[N+]([O-])=O	825
+Clc1cc2c(O)nc(CCC)nc2cc1	1677
+Clc1cc(c(NCC(OCC)=O)cc1)Oc2ccc(N)cc2Cl	0
+Clc1cc(c(Nc2c3c(cc(OCCCC(=O)O)c(OC)c3)ncn2)cc1)F	3
+Clc1cc(N)c(O)c(CCc2ncccc2)c1	0
+CCOc1c(F)cc(Cl)c([N+](=O)[O-])c1Br	31
+Clc1cc([N+](=O)[O-])c(NC)cc1Cl	60
+Clc1cc([N+]([O-])=O)c(SC)cc1Cl	411
+Clc1cc(c(c(CO)c1)Cl)OC	98
+Clc1cc(c(Cl)c(CC#N)c1)OC	163
+OB(O)c1cc(cc(Cl)c1Cl)Cl	422
+c12c(ncnc1nc[nH]2)NC(C)c3c(c([N+]([O-])=O)c(c(Cl)c3)C)-c4cc(F)ccc4	2042
+Clc1cc(c(cc1)-c2cc(N)c(cc2)CC)F	0
+Clc1ccc(-n2ncnc2)c(CN)c1	107
+Clc1ccc(-n2ncnc2)c(CO)c1	611
+Clc1cc(c(cc1)-n2nnnc2)C(N(OC)C)=O	280
+Clc1ccc(c(C=O)c1)-n2nnnc2	760
+Clc1cc(OC)c(cc1)C=CC#N	858
+c1cc(ccc1C(=O)c2c(cc(OC)c(Br)c2)Cl)CC	358
+Clc1ccc2c(nc3c(c2N)C(CCC3)=O)c1	9010
+Clc1cc(c(cc1)C(N)=S)OC	581
+Clc1cc(c(cc1)C(=O)OCC)Br	9011
+c1ccccc1Nc2c(C(O)=O)ccc(Cl)c2	230
+Clc1ccc(C(=O)O)c(Nc2ccccc2Cl)c1	230
+Clc1cc(c(cc1)C(=O)N)F	169
+O1C(=O)C(C(OC1(C)C)=O)C(c2ccc(Cl)cc2F)=O	3548
+c1cc(ccc1)NCC(Nc2c(ccc(Cl)c2)C(=O)O)=O	4649
+c1ccccc1COc2c(-c3c(-c4c(C(=O)OCC)c(cc(Cl)c4)Br)cccc3)cccc2	3022
+Clc1cc(c(C(C2CC2C#N)O)cc1)F	74
+Cc1nc(sc1C(=O)OCC)-c2ccc(Cl)cc2OC	2242
+c1cc(ccc1)C=Cc2cc(ccc2C3CNC(C3)=O)Cl	722
+c1ccccc1C(=O)c2cc(ccc2C3CNC(=O)C3)Cl	2227
+c1cc(ccc1Oc2c(cc3c(OCCC3C(OCC)=O)c2)Cl)C(=O)NCCc4ccc(Cl)cc4Br	14
+Clc1cc(c(cc1)CCN)Br	157
+c1cc(ccc1OC)C=2C=CC(N(C=2)Cc3c(cc(Cl)cc3)F)=O	2243
+Clc1ccc(N)c(C(=O)c2c(c(OC)ccc2)OC)c1	335
+c1cc(ccc1)[Si](c2ccccc2)(OCC(C)(C)CNc3c(C(O)c4cccc5ccccc45)cc(cc3)Cl)C(C)(C)C	291
+Clc1cc(c(cc1)Nc2n(c3c(ccc(c3n2)Cl)C(OC)=O)CCCO)Cl	3023
+Clc1cc(Cl)c(N2CCCn3c2nc4c(ccc(c34)C(OC)=O)Cl)cc1	2393
+Clc1cc(c(cc1)O)C(=NNC(c2cc(Br)c(Cl)cc2)=O)C	2085
+CN(C)C=CC(c1c(ccc(Cl)c1)O)=O	277
+c1ccccc1COc2c(cc(Cl)cc2)C(C)=O	22
+Clc1ccc(c(OC)c1)Oc2c(Br)cc(C#N)cc2	46
+c1cc(c(COc2c(cc(cc2)Cl)OC)c(F)c1F)OC	139
+Clc1cc(C(CNC(=O)CCCCC(OC)=O)=O)c(cc1)OC	612
+c1c(c(F)c(C(=O)O)c(Cl)c1)OC	634
+Clc1cc(Cn2ccnc2)c(cc1)Oc3c4c(cccc4)ccc3	371
+c1cc(ccc1)CSCc2c(ccc(Cl)c2)Oc3c(ccc(CC(=O)OCC)c3)OC	639
+Clc1ccc(c(CO)c1)Sc2cccs2	49
+Clc1cc(-n2c3c(cc(OC)cc3)cc2)c(N)cc1	0
+c1cc(ccc1)CN2CCN(CC2)c3cc(C(O)=O)c(cc3)[N+](=O)[O-]	202
+Clc1cc(c(cc1)[N+]([O-])=O)-n2c3c(cc(OC)cc3)cc2	1995
+c1cc(ccc1)-c2ccc([N+](=O)[O-])c(F)c2	667
+c1cc(ccc1)Nc2cc(Cl)ccc2[N+]([O-])=O	275
+FC(F)(F)c1nn(-c2ncccc2Cl)c(C3=Nc4c(C(=O)O3)cc(Cl)cc4Br)c1	9012
+FC(F)C=1N=CN(Cc2ccc(cc2)OC)C(=O)C=1Oc3cc(cc(Cl)c3)C#N	9013
+Clc1cc(cc(CC#N)c1)Br	163
+Clc1cc(cc(c1)COc2cccnc2)Br	483
+C(c1cc(cc(Cl)c1)Br)C(=O)O	9014
+Clc1cc(cc(Cl)c1)-c2[nH]ncc2Cl	697
+Clc1cc(cc(Cl)c1)-c2cn(CC(O)=O)cc2C#N	4
+c1c(Cl)cc(cc1C(C)(C)C(=O)O)Cl	4
+Clc1cc(cc(Cl)c1)C(C)(C)C(=O)N(C)c2cnc(N3C(CO)CC(C3)O)cc2-c4c(Cl)cccc4	43
+Clc1cc(cc(Cl)c1)-c2ccn[nH]2	927
+Clc1cc(cc(Cl)c1)C=2CC(C(=O)O)(ON=2)CO	3
+c1(Cl)cc(cc(Cl)c1)-c2c[nH]cc2C#N	9015
+c1c(Cl)cc(cc1CCC(=O)O)Cl	159
+Clc1cc(cc(Cl)c1)C=CC#N	2368
+c1c(Cl)cc(cc1C=NO)Cl	135
+c1c(Cl)cc(cc1CNc2ccc3c(c(Cl)nnc3O)c2)Cl	250
+C1CN(CCC1CC(NCCc2cn(nn2)Cc3ccccc3)=O)C(OCc4cc(Cl)cc(Cl)c4)=O	9
+C1CC(CCN1C(OCc2cc(Cl)cc(Cl)c2)=O)NC(=O)CCCc3cnn[nH]3	9
+Clc1cc(cc(Cl)c1)Sc2nc3ncnc(N)c3[nH]2	4666
+Clc1cc(cc(Cl)c1)N2C(NC(=O)C(N)=C2N)=S	721
+c1c(Cl)cc(cc1N2c3c(nc[nH]3)C(NC2=S)=O)Cl	2725
+c1cc(ccc1-c2cc(ccc2)C#N)C3(CCN(CC3)CC4CC4)CN(C)C(Nc5cc(Cl)cc(c5)Cl)=O	134
+Clc1cc(cc(Cl)c1-n2nc3c(c(Cl)ncc3F)c2)[N+]([O-])=O	174
+c1(Cl)cc(cc(Cl)c1-n2nc3c(c(Nc4ncnc(c4)C)ncc3F)c2)[N+]([O-])=O	9016
+c1c(Cl)c(c(cc1Nc2nnc([nH]2)OC)Cl)Br	9017
+c1c(Cl)c(c(cc1Nc2nnc(N)[nH]2)Cl)C#N	3024
+c1c(Cl)c(c(cc1N2N=CC(NC2=O)=O)Cl)C(C(c3ccccc3)=O)c4ccc(cc4)Cl	94
+Clc1cc(cc(Cl)c1C(=O)Nc2cc(Cl)ncc2F)Cl	50
+Clc1cc(cc(Cl)c1C)N	0
+c1c(Cl)c(c(cc1N)Cl)C2CC2	0
+Clc1cc(cc(Cl)c1CCC(N(OC)C(c2cn(nc2C(F)F)C)=O)C)Cl	3025
+Clc1cc(cc(Cl)c1CCCC(C)=O)Cl	9018
+c1(cc(cc(Cl)c1CCCC(C)N)Cl)Cl	316
+FC(F)c1c(cn(C)n1)C(N(CCCc2c(Cl)cc(cc2Cl)Cl)OC)=O	3025
+C1CCCCC1C2C(N(Cc3c(cc(cc3Cl)O)Cl)CC2)=O	5
+C1CC2(CCC1)C(N(Cc3c(cc(cc3Cl)O)Cl)CC2)=O	16
+c1c(Cl)c(c(cc1CN=[N+]=[N-])Cl)Cl	925
+c1(Cl)cc(cc(Cl)c1Sc2nc3c(ccc(C#N)c3)s2)[N+]([O-])=O	9019
+c1(Cl)cc(cc(Cl)c1Sc2ccc3ccccc3c2)[N+](=O)[O-]	825
+Clc1cc(cc(Cl)c1Oc2cnc3c(C(=O)OC)cccc3c2)[N+](=O)[O-]	9020
+c1(cc(cc(Cl)c1N=Cc2c(c(Cl)cnc2)N=[N+]=[N-])C#N)Cl	3026
+Clc1cc(cc(Cl)c1N2NC(=C3C(=O)N=C(N=C23)Cc4cc(O)ccc4)C(C)C)Cl	5
+c1(cc(cc(Cl)c1-n2nc3ccncc3c2)F)Cl	3027
+Clc1cc(cc(Cl)c1Nc2nc3ccc(Br)cc3c4c2ccnc4O)-c5ccn[nH]5	104
+Clc1cc(cc(Cl)c1Nc2nc3ccncc3c4c2ccnc4O)C(C)(C)O	1033
+Clc1cc(cc(Cl)c1Nc2nc3cc[n+](cc3c4c(nccc24)O)[O-])C(C)(C)O	103
+c1c(Cl)c(c(cc1C)Cl)Oc2ccc(cc2)[N+]([O-])=O	46
+FC(F)(F)CCOc1c(cc(cc1Cl)F)Cl	8
+Clc1cc(cc(Cl)c1OCCCCOCC=O)OCC=C(Cl)Cl	598
+Clc1cc(cc(Cl)c1Oc2cc(c(cc2)O)C=O)N3C(=O)NC(C=N3)=O	5
+CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)CC(O)=O)nnc1O	3028
+c1c(Cl)c(c(cc1CO)Cl)Oc2cc3c(C(C)C)c[nH]c3cc2	41
+c1c(Cl)c(c(cc1N)Cl)Oc2cc3cc(ccc3nc2)C(=O)OC	0
+Clc1cc(cc(Cl)c1Oc2ccc(c(NS(=O)(=O)c3ccc(cc3)F)c2)O)N4C(=O)NC(C=N4)=O	5
+Clc1cc(cc(Cl)c1Oc2ccc(c(c2)N)OC)N3C(=O)NC(C=N3)=O	0
+Clc1cc(cc(Cl)c1Oc2ccc(c(NS(=O)(=O)c3ccc(cc3)F)c2)OC)N4C(=O)NC(C=N4)=O	69
+c1c(Cl)c(c(cc1N)Cl)Oc2cnc3c(C(=O)OC)cccc3c2	0
+c1c(Cl)c(c(cc1N2C(=O)NC(C=N2)=O)Cl)Sc3cc(C(C)C)c(O)nn3	9021
+FC(F)(F)c1cc(c(cc1)S(=O)(=O)Nc2cc(Cl)c(c(c2)Cl)Sc3ccc4ccccc4c3)Cl	69
+c1c(Cl)nc(cc1C(N(OC)C)=O)Cl	280
+c1c(Cl)nc(cc1C(=O)N2CCOc3ccncc23)Cl	3002
+c1cc(ccc1)COc2nc(cc(C(=O)O)c2)Cl	91
+FC(F)(F)Oc1ccc(cc1)Nc2cc(N3CCCC3)cc(n2)Cl	201
+Clc1cc(CC#N)cc(OC)c1	177
+Clc1cc(Br)cc(OCC2CO2)c1	72
+Clc1cc(Br)cc(Oc2c(Cl)cccc2[N+]([O-])=O)c1	415
+Clc1cc(cc(Oc2ccc([N+]([O-])=O)cc2C=O)c1)CC(OC)=O	46
+Clc1cc(Br)cc(Oc2cc(ccc2Cl)F)c1	46
+c1ncncc1Oc2cc(Br)cc(c2)Cl	3029
+Clc1cc(cc2cccnc12)C=C	2225
+O=Cc1cc(Cl)c2c(cccn2)c1	9022
+Clc1cc(ccc1)C2Oc3c(cc(Oc4ncc([N+]([O-])=O)cc4)cc3)CC2	9023
+Clc1cc(ccc1)C2c3cc(OC)ccc3C(CC2)=O	1720
+Clc1cc(ccc1)C2c3c(C(CC2)=O)ccc(c3)O	5
+Clc1cc(ccc1)NC(=O)N2Cc3c(CC2)[nH]nc3C(N(O)C)=O	1006
+Clc1cc(ccc1)NC(=O)N2Cc3c(CC2)[nH]nc3C(=O)O	6
+Clc1cc(ccc1)Nc2nccs2	3030
+Clc1cc(ccc1)NCCCN	51
+Clc1ccc2c(Sc3cccc(c3)Br)c([nH]c2c1)C	1502
+Clc1cc(ccc1)Nc2ccn3c(n2)c(cn3)C=C4C(NC(=O)N4C)=O	2021
+Clc1cc(ccc1)Nc2nc(-c3cc(C(NO)=N)ncc3)ncn2	958
+Clc1cc(ccc1)Nc2nc(-c3cc(C#N)ncc3)ncn2	577
+Clc1cc(ccc1)Nc2nc(-c3cc(C(NO)=O)ncc3)ncn2	9024
+Clc1cc(ccc1)Nc2ncc(c3n(ccc23)C)C(=O)O	1
+Clc1cc(ccc1)Nc2ncc(c3c2ccn3CC)C(=O)O	6
+Clc1cc(ccc1)Nc2ncc(c3c2ncn3C)C(=O)O	6
+Clc1cc(ccc1)Nc2nccc(-c3cccnc3NCCCN)n2	70
+Clc1cccc(Nc2ncnc3c2c(N=Cc4cccc(-c5nn(C)nn5)c4)[nH]n3)c1	4661
+Clc1ccc(c(c1)O)C2(C(N(c3ccccc23)CC(=O)OC)=O)O	1115
+Clc1cccc(Oc2cncc(Cl)n2)c1	842
+C1CC(CCN1Cc2ccccc2)NC(COc3cccc(Cl)c3)=O	648
+Clc1c(-n2cc(C(C)=O)c3ccccc23)ccc(C(=O)N)c1	216
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3ccc(C)c(Cl)c3)C1	1757
+c1c(ccc(Sc2cc(ccc2[N+]([O-])=O)C(=O)C)c1F)F	825
+c1(Cl)cc(O)c(nc1)[N+](=O)[O-]	3004
+Clc1cc(ncc1)C(C)Nc2nc3c(o2)c(cc(C(=O)O)c3)OC	1
+Clc1cc2C(=O)N(C(CSc3ncnc4nc[nH]c34)=Nc2cc1)c5c(Cl)cccc5	3031
+Clc1cc2C(CCCN(C(c3cnc(cc3)NC(c4c(cccc4)Cl)=O)=O)c2cc1)CCOC	21
+O=S(=O)(C)OCCC1CCCN(c2ccc(Cl)cc12)C(c3cnc(cc3)NC(c4ccccc4Cl)=O)=O	7
+Clc1cc2C(CCCN(C(c3cnc(cc3)NC(c4c(cccc4)Cl)=O)=O)c2cc1)CCO	88
+Clc1cc(C)c2OCCCC(N)c2c1	474
+Clc1cc2c(cc1)C(CO)CC2	2938
+Clc1cc2CCC(=C)c2cc1	2748
+Clc1cc2CCC3(CNCC3)c2cc1	9025
+Clc1cc2CCC3=C(CCCN3)c2cc1	9026
+c1cc(ccc1C(N2CCCC=3c4ccc(Cl)cc4CCC2=3)=O)OC	9027
+Clc1cc2c(SC(=O)N2CC(N(C)Cc3nc4c([nH]3)cccc4)=O)cc1	10
+Clc1cc2N(CCOc2c(c1)C(=O)O)C	1
+C1(=O)C(=O)Nc2c(c(c(Cl)cc2N1)N=[N+]=[N-])[N+]([O-])=O	31
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(N)=O	1360
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(=O)O	3
+Clc1cc2Sc3c(cc(C#N)cc3)N(c2cc1)C(C)CO	44
+O=S(=O)(C)OCC(C)N1c2c(Sc3cc(Cl)ccc13)ccc(c2)C#N	7
+Clc1cc2c(-c3cc[n+](cc3C(=O)N2C)[O-])cc1	103
+c1cc(ccc1-c2c(cccc2)C(=O)NCCc3c[nH]c4c3cc(cc4)Cl)OC	134
+Clc1cc2c(Cl)cc(nc2cc1)N3Cc4ccc(Br)cc4CCC3	286
+Clc1cc2c(NCCN)cc(nc2cc1)N3Cc4ccc(Br)cc4CCC3	105
+C(=O)(c1n(-c2c(Cl)cccn2)nc(Cl)c1)Nc3c(cc(cc3C(=O)NC)Cl)C	1302
+Clc1cc2c(cc1)scc2CBr	9028
+Clc1cc2c3c(cnc2cc1)ncn3C	9029
+Clc1cc2c(c([N+]([O-])=O)cnc2cc1)NC	105
+Clc1cc2c(c(N)cnc2cc1)NC	13
+Clc1cc2c(cc1)c(NCCCN)c3c(CCCC3)n2	105
+c1cc(ccc1Nc2c(C(OCC)=O)cnc3ccc(Cl)cc23)Cc4ccccc4	179
+c1cc(ccc1Cl)CSCC(c2c(C)c3c(s2)ccc(c3)Cl)=O	9030
+c1c2c(cc(c1)Cl)c(c[nH]2)CCNC(=O)c3noc(Cc4cccc(Cl)c4)n3	1506
+Clc1cc2c(CCNC(=O)c3noc(n3)Cc4ccccc4C)c[nH]c2cc1	1506
+Clc1cc2c(CCNC(=O)c3c(cccc3)I)c[nH]c2cc1	93
+FC(F)(F)c1cc(N2CCc3c(ccc(c3)Cl)C2)cc(Cl)c1NC(=O)CC(C)(C)C	79
+c1cc(ccc1N2CCN(CC2)C(C(N3c4c(CCC3)cc(cc4)Cl)C)=O)S(=O)(=O)Nc5ncncc5	10
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CC(O)=O)C3=O	4
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCO)C3=O	21
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCSC)C3=O	1105
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCCl)C3=O	9031
+Clc1cc2c(cc1)c(NCCCNC3CCc4c(ccc(n4)O)C3)c5c(CCCC5)n2	87
+Clc1cc2c(cc1)cc(nc2O)C(=O)N	314
+c1cc(ccc1)CN2CCN(CC2)c3c4cc(Cl)ccc4ccn3	43
+Clc1cc2c(cc1)nc(O)c(C(C=Cc3c(cncc3C)F)=O)c2-c4cnccc4	307
+Clc1cc2c(nc(cc2Br)NCc3c(cccc3)OC)cc1	811
+C(c1sc2c(cc(Cl)cc2)c1CC)(=O)C	2940
+Clc1cc2c(ccnc2cc1)C=NNC=3N=C(N)N(C(=O)C=3)C	3748
+Clc1cc2c(n[nH]c2cc1)CO	9032
+Clc1cc2c([nH]nc2C=O)cc1	178
+Clc1ccc2c(c(-c3cccnc3)cc(n2)NCc4c(cccc4)OC)c1	9033
+Clc1cc2c(nc(nc2NN)Cl)cc1	1021
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)NC(COc4noc5ccc(cc45)Cl)CO	9034
+Clc1cc2c3C(=NNC(=N)N)CCCc3[nH]c2cc1	9035
+c1c2c(ccc1Cl)n3c4c(nc3c5c2nc(cc5)C)cccc4	9036
+c1cc(ccc1-c2ccn3c(ncc3)c2)F	3032
+Ic1[nH]nc2c1c(C)nc(Cl)c2	4667
+c1cc(ccc1)-c2nccc(-c3n4ccc(Cl)cc4nc3)c2	140
+c1cc(ccc1)-c2nc(NC)cc(-c3cnc4n3ccc(Cl)c4)c2	140
+Clc1cc2sc(NN)nc2cc1	9037
+c1cc(ccc1)C2=CC(N(c3sc4c(n3)ccc(Cl)c4)N2)=O	1916
+Clc1ccc(c(F)c1)-c2ccccc2C(C)N	474
+Clc1ccc(c(C=O)c1)-c2nc(C)no2	39
+Clc1ccc(c(CC#N)c1)-n2ncnc2	163
+Clc1ccc(Br)c(c1C(=O)N)F	2681
+Clc1ccc(c(Cl)c1)CCCCO	213
+c1cc(ccc1)C(N)c2ccc(Cl)cc2C	9038
+Clc1ccc(C(=O)N(C)OC)c(Nc2ccccc2Cl)c1	280
+C1(=O)c2c(Oc3c(C)cccc13)cc(Cl)cc2	358
+c1(OC)ccc(-c2cc(c(cc2)C(OC)=O)[N+]([O-])=O)cc1F	667
+FC(F)(F)c1nc(O)c(-c2ccc(Cl)cc2Cl)nc1	2989
+Clc1ccc(c(Cl)c1)C(=O)N2Cc3ncc(Cl)n3CC2	115
+Clc1ccc(c(Cl)c1)-c2nc3c(cccc3C(=O)OC)o2	2453
+C1CN(CCC1)C2(CC(C2)COCc3ccccc3)CNC(=O)c4c(Cl)cc(cc4)Cl	93
+c1cc(ccc1F)C(c2ccc(cc2Cl)Cl)=O	222
+FC(F)(F)S(=O)(=O)Oc1ccc(c(c1)NC(C)c2c(Cl)cc(cc2)Cl)Cl	166
+Clc1ccc(C)c(-c2c(C(=O)O)cc(-c3ccnc(n3)N)[nH]2)c1	6
+Clc1ccc(C)c(-c2c(C(=O)N)cc(-c3c(cnc(N)n3)I)[nH]2)c1	393
+Clc1ccc(C)c(-c2c(C(=O)O)cc(-c3c(cnc(N)n3)I)[nH]2)c1	2244
+c1(Cl)cc(c(cc1[N+]([O-])=O)C)Cl	31
+c1cc(ccc1-c2oc(nn2)CSc3nnc(n3-c4c(cccc4)Cl)-c5ccc(cc5Cl)Cl)C	9039
+Clc1ccc(C=C(CCCCC)CO)c(Cl)c1	2874
+c1cc(ccc1OCc2nc(C=Cc3ccc(Cl)c(c3)F)oc2)CCCCn4ccnc4CS(=O)(=O)C	547
+Clc1ccc(nc1Cl)CC#N	1461
+Clc1ccc(c(C=O)c1)CC(OC)=O	674
+Clc1ccc(CC)c(-c2c(C(=O)O)cc(-c3c(cnc(N)n3)Br)[nH]2)c1	6
+Clc1ccc(CC)c(-c2c(C(=O)N)cc(-c3c(cnc(N)n3)Br)[nH]2)c1	393
+Clc1cc(N)c(cc1)CC	0
+Clc1ccc(c(Cl)c1)CCOc2cc(ccc2OC)C(=O)OC	126
+Clc1ccc(c(Cl)c1)CCOc2c(Cl)c(OC)cc(C(=O)OC)c2	126
+c1c(Oc2c(Cl)ccc(CN)c2F)c(c(cc1C#N)F)Cl	9040
+Clc1ccc(CNC(=O)c2c(nn(c2)CCOCC)OCC)c(Cl)c1	21
+Clc1ccc(c(Cl)c1)CNC(c2c(nn(CCO)c2)OCC)=O	665
+c1(cc(c(cc1)Cl)-c2n(-c3ccc([N+](=O)[O-])c(-n4c(nc(C)c4)-c5c(ccc(Cl)c5)Cl)n3)cc(C)n2)Cl	3033
+Clc1ccc(Cl)c(CC#N)c1	163
+c1ccccc1Oc2ccc(cc2[N+](=O)[O-])Cl	415
+C1CC(CCN1C(=O)Cc2cc(ccc2Cl)Cl)c3nc(cs3)C(N(C)C(c4ccccc4)CC)=O	10
+CCN(Cc1sc(Cl)nc1)c2c(Cl)ccc(Cl)n2	43
+Clc1ccc(Oc2cc(ccc2OC)CC(=O)OCC)c(C=O)c1	46
+[N-]=[N+]=NCc1c(I)ccc(Cl)c1	925
+Clc1cc(c(N)cc1)C(c2c(O)c(ccc2)OC)=O	5
+O=S(=O)(Nc1c(C(c2ccccc2Cl)=O)cc(cc1)Cl)c3ccc(c(c3)OC)OC	69
+O(c1c(C(c2c(ccc(Cl)c2)NCc3c(cc(cc3)OC)OC)O)cccc1OC)CC	208
+Clc1ccc(c(C2=CC(=O)N3C(CCC3=C2)C(=O)O)c1)-n4nnnc4	1441
+Clc1ccc(N)c(C2=CC(=O)N3C(CCC3=C2)C(=O)O)c1	3
+Clc1ccc(N)c(C=CC(OCC)=O)c1	4668
+FC(F)(F)c1c(C(OC)=O)cnc(Nc2ccc(cc2Cl)Cl)c1	201
+FC(F)(F)c1c(C(=O)OC)cnc(Nc2c(Cl)cc(cc2)Cl)n1	55
+Clc1ccc(NCC(CCl)O)c(Cl)c1	843
+c1(ccc2c([nH]c(-c3cccc4C(c5c(cccc5)-c34)=O)n2)c1)Cl	1127
+c1ccccc1COCC(=O)N2CCCN(c3c(Cl)cc(Cl)cc3)CC2	58
+Clc1cc(c(cc1)NC(Nc2c(NCCCO)c(ccc2Cl)C(OC)=O)=S)Cl	773
+Clc1ccc(NCC(Cn2ccnc2)O)c(Cl)c1	871
+c1c(cc(c(NCC(OCc2cccc(Cl)c2)Cn3ccnc3)c1)Cl)Cl	149
+Nc1cc2c(cc1OCC)ncnc2Nc3c(F)c(c(Cl)cc3)Cl	0
+Clc1cc(c(O)c([N+]([O-])=O)c1)CCc2ncccc2	77
+Clc1ccc(cc1-c2cc(F)ccc2)O	134
+c1(cccc(F)c1NC(=O)c2oc(Cc3cc(ccc3OC(=O)C)Cl)cc2)F	768
+Clc1ccc(c(-c2c(c3c(nc(nc3cc2)N)N)Cl)c1)O	5
+Clc1ccc(c(-c2oc(nc2)CCCCC(OC)=O)c1)O	5
+O=S(=O)(c1ccc(O)c(Cc2cc(Cl)ccc2OCC(=O)OC)c1)C	4669
+Clc1ccc(OCOCCOC)c(c1)CCl	438
+Clc1cc(CO)c(cc1)Oc2cc(ccc2OC)CC(=O)OCC	41
+Clc1ccc([N+]([O-])=O)c(c1)Oc2c(cccc2)C(=O)O	500
+c12c(cccc1)Oc3c([N+]([O-])=O)ccc(Cl)c3C2=O	358
+Clc1ccc(Cl)c(-c2nc(cn2-c3c(ccc(Cl)n3)[N+]([O-])=O)C)c1	3033
+Clc1ccc2oc3ncc(cc3c2c1)Cl	9041
+Clc1ccc(N)c(c1)C2Cc3c(N2)cccc3	9042
+Clc1ccc(c(-c2oc(nc2)CCCCC(=O)O)c1)O	4
+Clc1ccc(c(-c2oncc2CCCO)c1)Cl	95
+Clc1ccc(c(-c2oncc2CCC(=O)O)c1)Cl	3
+Clc1cc(c(cc1)N)C(Nc2nn(cc2)-c3ccc(c(C)c3)C)=O	0
+c1cc(ccc1NC(CN2C3=C(C(=O)CC3)C(c4cc(ccc4Br)Cl)=CC2=O)=O)C=5NOC(=O)N=5	9043
+c1ccccc1C(COC(=O)C2N3C(CC2)=CC(=CC3=O)c4c(-n5nnnc5)ccc(Cl)c4)=O	1231
+Clc1ccc(O)c(CCc2ncccc2)c1	4195
+c1ccccc1S(=O)(=O)N2C(CN(Cc3c(CC(=O)OC)ccc(c3)Cl)CC2)C	48
+C1C(CO1)(COc2c(C=O)cc(cc2)Cl)C	450
+c1ccccc1CCOc2c(cc(cc2)Cl)C=O	8
+c1(c(C=O)cc(Cl)cc1)Oc2ccnc3cc(c(cc23)OC)OC	242
+Clc1ccc(c(c1)C(C#N)N)OC	9044
+Clc1ccc(OCC(OC)=O)c(CO)c1	41
+c1(Cl)ccc(OCC(OC)=O)c(c1)C=C2C(=O)Nc3cc(ccc23)Cl	1495
+Clc1ccc(OCOCCOC)c(CO)c1	41
+c1ccccc1C=2OC(C(N=2)=Cc3cc(Cl)ccc3Sc4cccs4)=O	9045
+Clc1ccc(c(c1)CC(=O)O)-n2ncnc2	508
+c1cc(ccc1F)CN2CC(N(CC2C)C(COc3ccc(Cl)cc3CC(OCC)=O)=O)C	648
+Clc1ccc(c(C=O)c1)Sc2cccs2	39
+Clc1ccc2-c3c(OCc2c1)c4CCCC(c4cc3)=O	3034
+Clc1ccc(c(Cc2ccc(C(=O)O)o2)c1)O	6
+Clc1ccc(c(Cc2ccc(o2)C(=O)OCC)c1)O	5
+c1(Cl)c([N+]([O-])=O)cc(c(c1)Cl)-c2nc3CCCCn3c2Cl	31
+Clc1ccc(-c2c(N)c(NC(CCC)C)ncc2)c(Cl)c1	13
+c1cc(NCCNc2cc(-c3ccc(Cl)cc3Cl)c(cc2)[N+]([O-])=O)nc(N)c1[N+](=O)[O-]	60
+Clc1ccc(c(Cl)c1)-c2nc(n3c(ncc3)c2)OCCNc4ccc([N+]([O-])=O)c(n4)N	9046
+Clc1ccc(c(Cl)c1)-c2c(Cl)n3CCCCc3n2	844
+Clc1ccc(c(Cl)c1)-c2cn3CCCCc3n2	3035
+Clc1ccc(c(Cl)c1)-c2cnc(N)c(c2C#N)Cl	395
+Clc1ccc(c(Cl)c1)-c2nc3c(cccc3C(=O)N)o2	393
+Clc1ccc(c(Cl)c1)-c2nc3c(cccc3C(=O)O)o2	1
+C1N(Cc2n(c(Cl)c(n2)Cl)C1)C(=O)c3ccc(Cl)cc3Cl	844
+Clc1ccc(C(=O)O)c(c1)Oc2c(cccc2)C	415
+Clc1ccc(c(Cl)c1)-c2cn3ccccc3n2	9047
+Clc1ccc(c(Cl)c1)C2C(C(=O)OCC)=C(N=C(c3ncccc3F)N2)CN4CCOC(C(=O)O)C4	2644
+Clc1ccc(c(Cl)c1)C=2NC(=O)c3cc(nn3C=2)C=O	178
+Clc1ccc(c(Cl)c1)C=2NC(=O)c3cc(CO)nn3C=2	194
+Clc1ccc(c(Cl)c1)CCCC(=O)O	4670
+Clc1ccc(c(Cl)c1)CCNc2cc(Cl)nc(n2)OC	40
+Clc1ccc(c(Cl)c1)CCNC(c2ccc([N+]([O-])=O)cc2N)=O	1338
+C(c1ccc(c(C#N)c1)-n2c3c(cc(C(NCCc4ccc(Cl)cc4Cl)=O)cc3)cc2)C(=O)O	4
+O=S(=O)(NC(C1CCCN(c2nc(nc(NCCc3c(cc(Cl)cc3)Cl)c2)OC)C1)=O)C	344
+Clc1ccc(c(Cl)c1)CCNc2nc(nc(-c3cc4CC(N(C)c4cc3)C(=O)O)c2)OC	3
+Clc1ccc(c(Cl)c1)CCOc2cc(cc(OC)c2Cl)C(=O)O	1
+Clc1ccc(c(Cl)c1)CCOc2cc(C(=O)O)ccc2OC	1
+Clc1ccc(c(Cl)c1)COc2ccc3c(CC(OC)=O)coc3c2Cl	139
+Clc1ccc(c(Cl)c1)CNC(c2cnc(nc2O)N)=O	484
+c1cc(ccc1-c2nc3n(ncc3)c(NCc4c(cc(cc4)Cl)Cl)c2)C(OC)=O	1005
+O=S(=O)(CCCCC)NC(=O)c1ccc(c(N(Cc2c(cc(Cl)cc2)Cl)C)c1)[N+](=O)[O-]	258
+c1(cc(c(CNC(c2cn(nc2OCC)CCOc3c(CC(OC)=O)cccc3OCC)=O)cc1)Cl)Cl	20
+c1nc(ncc1Br)N2CCC(NCc3c(Cl)cc(cc3)Cl)C2	117
+Clc1ccc(c(Cl)c1)COc2ccc3c(coc3c2Cl)CC(=O)O	4
+c1(Oc2ccc(Cl)cc2Cl)c(ccc(c1)Cl)[N+](=O)[O-]	415
+c1c(Cl)c(Oc2ccccc2C#N)ccc1Cl	46
+Clc1ccc(c(Cl)c1)OC(c2sc(N)nn2)C	1087
+COC(OC)CN(C)C(=O)Nc1sc(C(C)Oc2ccc(Cl)cc2Cl)nn1	1110
+c1(ccc(Cl)cc1O)[N+]([O-])=O	1683
+Clc1ccc([N+]([O-])=O)c(Oc2c(cccc2)C=O)c1	415
+c1ccccc1CN2CCC(CC2)Nc3cc(ccc3[N+]([O-])=O)Cl	205
+Clc1ccc(c(F)c1)-c2c(F)cncc2C(=O)NC	56
+Clc1ccc(c(F)c1)-c2c(F)cncc2C(=O)O	1
+O=S(=O)(c1ccc(OC)cc1OC)NC(C)c2c(-c3c(F)cc(Cl)cc3)cccc2	71
+O=S(=O)(NC(c1c(-c2c(F)cc(Cl)cc2)cccc1)C)c3ccc(cc3)OC	71
+c1([N+](=O)[O-])cc(F)c(cc1Cl)F	31
+Clc1ccc(c(OC)c1)Oc2ccc(cc2-c3cccnc3OC)C#N	305
+Clc1ccc(c(OC)c1)Oc2ccc(C(=O)N)cc2-c3cccnc3OC	216
+c1cc(ccc1C(=O)C)Oc2c([N+](=O)[O-])cc(cc2)Cl	304
+Clc1ccc(c([N+]([O-])=O)c1)CCOC(=O)OCC2OC(N3C=C(C(NC3=O)=O)C)CC2O	405
+Clc1cc(N)c(NC2CC(C)N(CC2)C(=O)OC)cc1	0
+Clc1ccc(c(c1)-c2c(OCC)cnc(O)c2)C#N	104
+O1CCOC1(C)COc2cc3C4(N=C(N)OC4)c5c(ccc(c5)-c6c(ccc(Cl)c6)F)Oc3nc2	381
+Clc1cc(c(cc1)C2c3c(cccc3)N(C2=O)CC(=O)OC)O	462
+FC(F)(F)c1cc2c(c(O)nc(-c3c(SCC)cc(Cl)cc3)n2)cc1	748
+c1cc(Cl)c(c(c1OC)Cl)[N+]([O-])=O	297
+c1(cc(c(Cl)cc1I)-c2cc(F)ccc2)O	235
+c1(-c2nc3c([nH]2)ncc([N+]([O-])=O)c3)c(Cl)ccc(NC(=O)c4occc4)c1	2245
+O=S(=O)(C)Oc1cc(C)c(Cl)cc1	444
+c1ccccc1[Si](c2ccccc2)(Oc3cc(C)c(cc3)Cl)C(C)(C)C	1505
+Nc1cccnc1Nc2cc(c(Cl)cc2)F	13
+c1c(c(cc(Cl)c1F)C(=O)C)O	94
+c1cc(ccc1Br)CC(=O)c2cc(Cl)c(O)cc2O	214
+c1cc(ccc1)-c2nc(nc(-c3ccccc3)n2)-c4cc(Cl)c(cc4O)O	9048
+Clc1ccc-2c(c1)COc3cc(O)ccc-23	5
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)-c3ccc(Cl)cc3CO2	166
+c1cc(ccc1)CC2(C)C(Nc3cc(ccc23)Cl)=O	9049
+Clc1ccc2c(c1)NC(=O)C2=Cc3cc(Cl)c(F)cc3OC	1495
+Clc1ccc2c(C(NC(C3COCCN3c4c(cnc(Cl)n4)Br)=O)CC2)c1	9
+Clc1cc2N(c3ncnc(Cl)n3)CCCc2cc1	3036
+[N-]=[N+]=NC(C)Cn1c-2c(cc1)Cc3ccc(Cl)cc-23	2135
+Clc1ccc2c(C3(COc4cc5c(cc34)CCO5)C(N2CC(OCC)=O)=O)c1	20
+FC(F)(F)C(NC1C2c3c(Oc4c(cc(cc4)Cl)N2CCC1)cccc3)=O	605
+Clc1cc2c(nc(Cl)c3c2n(cn3)-c4c(Cl)cccc4)cc1	445
+Clc1ccc2Cc3ccn(CC(O)C)c3-c2c1	9050
+Clc1ccc2c(C(c3c(cc4c(CCO4)c3)O)C(=O)N2CC(OCC)=O)c1	462
+CC=CCC1C(c2c(ccc(Cl)c2)C1)=O	4432
+Clc1ccc2CCC(N3c4c(N5CCOCC5C3=O)nc(Cl)nc4)c2c1	9051
+Clc1ccc2c(C3(COc4cc5c(cc34)CCO5)C(N2CC(=O)O)=O)c1	3
+Clc1ccc2c(C=Cc3sc(nc3C2C=4C(NC(NC=4)=O)=S)C)c1	3873
+c1(c(Cl)ccc2c1nccc2Cl)[N+](=O)[O-]	3037
+C1CN(CCN1c2cc(ccc2)OC)Cc3ccc(cc3)Nc4ccnc5c4ccc(Cl)c5	179
+Clc1ccc2c(cnnc2-c3ccc(cc3C)F)c1	519
+Clc1ccc2c(NC(N2C3CCNCC3C)=O)c1	1574
+c1cc(ccc1F)C(c2ccc(cc2)F)CCCN3CC(C)C(CC3)N4C(=O)Nc5cc(Cl)ccc45	53
+FC(F)(F)c1ncc(-n2c3cc(Cl)ccc3c(Sc4cccc(C(=O)OC)c4)c2C)cc1	3217
+c1cc(ccc1F)Cn2c3cc(ccc3c(Sc4cc(C(=O)OC)ccc4)c2C)Cl	190
+c1ccccc1-n2cc(-n3c(c(c4ccc(cc34)Cl)Sc5cc(ccc5)C(OCC)=O)C)cn2	1865
+c1cc(ccc1Cn2cc(c3ccc(Cl)cc23)C=O)F	190
+c12nc(cc(-c3cccnc3)c1cc(NCc4cccnc4)cc2)NCc5ccccc5OC	205
+Clc1ccc2c(C(C(N2CC(OCC)=O)=O)(O)c3cc4c(cc3O)OCC4)c1	1115
+C1(c2c(C(=O)N1CC(N3c4cc(ccc4Oc5ccccc5C3)Cl)=O)cccc2)=O	192
+C1CC1c2c(c3c(cc(Cl)cc3)n2-c4cnn(CCC)c4)Sc5cccc(C(OCC)=O)c5	9052
+Clc1ccc2c(cc(C(NCC(OC)=O)=O)[nH]2)c1	1008
+Clc1ccc2c(cc(C(=O)OCC)n2CCCSC)c1	965
+Clc1ccc2n(c(CO)cc2c1)CCCSC	194
+Clc1ccc2c(cc(C(NCC(N3C(C(OC)=O)SCC3)=O)=O)[nH]2)c1	478
+Clc1ccc2c(cc(C(NCC(N3CCSC3C(=O)O)=O)=O)[nH]2)c1	4
+Clc1ccc2c(cc(C(NCC(=O)O)=O)[nH]2)c1	4
+FC(F)(F)C(c1c[nH]c2ccc(Cl)cc12)=O	531
+Clc1c([N+]([O-])=O)c2c(cc1)nc(C)cc2	1804
+c1cc(ccc1Oc2ncc3c(ccc(c3)Cl)c2)OC	136
+n1cc2cc(Sc3cccc(F)c3)ccc2c(n1)-c4c(cc(cc4)F)C	825
+Clc1ccc2c(n(C(=O)CC(C)CC(=O)O)c(CCCCCC)c2)c1	4
+Clc1ccc2c(nc(C=Cc3cc(ccc3)CN4c5c(CC4)cccc5CCC#N)cc2)c1	2786
+Clc1ccc2c(nc(C=Cc3cccc(c3)OC(C)C#N)cc2)c1	143
+Clc1ccc2c(nc(C=Cc3cccc(OC(C(N)=O)C)c3)cc2)c1	83
+c1cc(ccc1CNc2c3C(CCCc3nc4cc(ccc24)Cl)=O)F	608
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(OCC)=O)n2)c1	9053
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(=O)O)n2)c1	3
+c1(c2ccc(cc2cnn1)-c3c(C)ccc(C(=O)O)c3)O	667
+c1ccccc1-n2c3c(c4ccc(Cl)cc24)cccc3	2246
+Clc1ccc2c(n[nH]c2I)c1	538
+Clc1ccc2c(c(n(c2c1)C)-c3cc(C=O)cnc3)C#N	4671
+Clc1ccc2cc(CCCCCC)[nH]c2c1	9054
+Clc1ccc2cc(C=CCCCC)[nH]c2c1	9055
+c1cc(ccc1C)C#Cc2ccc3c(cc4CC5(Cc4c3)C(=O)Nc6ncccc56)n2	9056
+FC(F)(F)C(c1c2ccc(Cl)cc2[nH]c1)=O	531
+Clc1ccc2ccc(COc3cc4c(OCc5c(C4SCCC#N)cccc5)cc3)nc2c1	143
+Clc1ccc2ccc(COc3cc4c(OCc5c(C4SCCC(=O)N)cccc5)cc3)nc2c1	1360
+Nc1c(Br)c2c(ccc(Cl)c2F)nc1	13
+n1cccc2c([N+]([O-])=O)c(Cl)ccc12	1804
+Clc1ccc2oc(-c3cc(C(=O)O)ccc3)cc2c1	6
+C(Nc1nc2cc(Cl)ccc2o1)C3NCCCC3C	9057
+c1ccccc1C(=O)Nc2sc3c([nH]nc3-c4cc(ccc4)Cl)n2	9058
+Clc1cccc(c1)-c2nn(-c3ccc(Cl)c(C)c3)cc2	901
+Clc1cccc(-c2c(-c3cc(ccc3)C#N)cc(s2)C(=O)O)c1	6
+c1cc(ccc1C(c2ccc(c(-c3cc(Cl)ccc3)c2F)OC)=O)[N+](=O)[O-]	222
+Clc1cccc(-c2c3c(nc(O)c2)ccc(C(c4cccc(I)c4)=O)c3)c1	104
+Clc1cccc(-c2c3c(NC(C3=Cc4c(cc(C)[nH]4)C)=O)ccc2)c1	292
+Clc1cccc(c1)-c2noc(C)c2CO	1043
+Clc1cccc(-c2noc(C)c2C(=O)O)c1	6
+Clc1cccc(-c2c(-c3cc(ccc3)C#N)cc(C(=O)OCC)s2)c1	1074
+c1ccc(Cl)cc1CCCCCCC(c2ncc(-c3ncccc3)o2)=O	213
+Clc1cccc(C#Cc2nc(C)n(c2)-c3cc(F)cnc3)c1	9059
+Clc1cccc(c1)-c2nn3c(ccnc3)c2	9060
+FC(F)(F)c1cc(S(=O)(=O)N(COC)c2cc(Cl)cnc2C3OC(=O)c4cccc(Cl)c34)ccc1Cl	9061
+Clc1cccc(c1)-c2[nH]c3c(ncnc3Cl)n2	4672
+c1(cccc(NC(CCC)=O)c1)NC(=O)c2cccc(Cl)c2	67
+CC(C)c1onc(c1COc2ccc(cc2)-c3ccc4c(ccc(n4)C(=O)OCC)c3)CS(c5c(cccc5Cl)Cl)=O	357
+Clc1cnc(NC2CC(C(=O)N)CCC2)nc1S(=O)C	1056
+FC(F)(F)C=1N(C(=O)N(c2cc3c(nsc3cc2)CS(=O)(=O)C)C(C=1)=O)C	2852
+FC(F)(F)C=1N(C(=O)N(C(C=1)=O)c2cc3c(CS(C)=O)nsc3cc2)C	441
+FC(F)(F)COc1ccnc(c1C)CS(c2nc3cc(N4CCN(CC4)C)c(F)cc3[nH]2)=O	172
+FC(F)(F)Cc1ccc(cc1)C2CN(C(=O)N3CCS(CC3)=O)CC(c4nc(no4)OCCOC)C2	441
+FC(F)(F)Oc1ccccc1S(=O)(=O)C	720
+FC(F)(F)c1c(noc1-c2nc(-c3ccc(cc3)C4OC4)no2)-c5ccccc5	3038
+FC(F)(F)c1cc(Cl)c(c(Cl)c1)-c2cc(S(=O)(=O)C)n(C)n2	9062
+FC(F)(F)c1cc(Cl)c(c(Cl)c1)-c2cc(S(=O)C)n(n2)C	1056
+FC(F)(F)c1cc(S(=O)CC)cc(S(=O)(=O)N(C2CCCc3c2cnn3CC(OCC)=O)C)c1	357
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2CCc3[n+](cccc3C2c4ccc(cc4)F)[O-])C	103
+FC(F)(F)c1cc2nc(-c3cc(Cl)[n+]([O-])cc3)oc2cc1	103
+FC(F)(F)c1cccc(N2C(=O)NC(C3=C2CCCC3=O)c4ccc(C#N)cc4S(=O)C)c1	357
+FC(F)(F)c1cccc(c1)N2C3=C(C(CC3)=O)C(c4c(S(=O)C)cc(C#N)cc4)N(C2=O)C	357
+FC(F)(F)c1cccc(c1)Nc2nc(-c3cc[n+](cc3)[O-])ccn2	103
+FC(F)=C(CCOC(c1cnc(nc1C)S(=O)(=O)C)=O)C	737
+FC(F)Oc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C	172
+C1COCCN1c2nc(S(C)=O)nc(-n3c4ccccc4nc3C(F)F)c2	172
+Fc1cccc(F)c1N2c3c(C=CC2=O)c(Cl)nc(n3)S(C)=O	172
+[n+]1(cc2c(cc1)OCC23C(N(CCCCC)c4ccccc34)=O)[O-]	103
+c1c(C=2C(NC(=O)C=2c3cn(C)c4ccccc34)=O)c5c(cccc5)n1CCCS(=O)C	441
+c1(c(NC(C)=O)cccc1)OCC2(OC2)C	2727
+O(CC)C(=O)C(C)c1[n+](cccc1)[O-]	103
+O1CCOC1(CCCn2c3c4ccccc4[n+](cc3nc2C)[O-])C	359
+O1Cc2c(ccc(C3CO3)c2OC)C1=O	3038
+C12C(C(=O)N(C1=O)CCCCl)CC3C(C2)O3	9063
+O=S(=O)(C)c1c(cccc1)C=2C(=O)N(c3nc(S(=O)C)ncc3C=2)CC	172
+O=S(=O)(N)Nc1c(c(S(C)=O)ccc1)C#N	357
+O=S(=O)(Nc1c(F)c(cc(Cl)c1)-c2c(oc(C3CC3)n2)-c4nc(ncc4)S(C)=O)C	172
+O=S(=O)(Nc1c(c(-c2c(-c3nc(S(=O)C)ncc3)sc(n2)C4CC4)cc(Cl)c1)F)C	172
+O=S(=O)(c1c(CN2c3nc(S(=O)C)ncc3C=CC2=O)cccc1)CC	172
+O=S(=O)(c1ccc(C=2C(N(c3c(cnc(n3)S(=O)C)C=2)CC)=O)c(c1)C)N(C)C	172
+O=S1(=O)c2c(cc(cc2)Br)C=C(C(OC)=O)CC1	9064
+C(=O)(C)OC(C(=O)NCCCCCCCC)CCS(C)=O	441
+c1c(OC)ccc2[nH]c(S(=O)Cc3nccc(OCCO)c3C)nc12	172
+O=S(c1[nH]c2cc(C)c(C(=O)C)cc2n1)Cc3nccc4OCOc34	172
+c1c(OC)ccc2[nH]c(S(=O)Cc3cccc4CCCN(C)c34)nc12	172
+O=S(Cc1cc(OC)ccn1)c2[nH]c3cc(F)c(-n4ccnc4)cc3n2	172
+O=S(=O)(C)c1cc(ccc1)Nc2c(C(=O)OC)c(C#N)cc(Cl)n2	720
+c1c(ccc(Cl)n1)S(c2c(F)cccc2)=O	1758
+C(CS(=O)c1cccc(n1)C=2Sc3c(cccc3)C(N=2)=O)CCC	1056
+[N+]([O-])(=O)C([N+]([O-])=O)(C)COCC1OC1	553
+O=S1(=O)c2cc(ccc2C=Cc3cc(ccc13)[N+](=O)[O-])C#N	9065
+c1c(-c2cccc(C)n2)[n+](c(cc1)C)[O-]	103
+c1c(OCC)c(cc(C)c1)O	9066
+c1cc(ccc1CCc2cc(C)[n+](c(C)c2)[O-])[N+]([O-])=O	103
+c1(CN2N=C(OCCC3CO3)C=CC2=O)cc(ccc1)C(=O)OC	553
+O(Cc1cccc[n+]1[O-])C2CCOC2	103
+c1(Cl)ccnc(CO)c1	9067
+Clc1c[n+](cc(Cl)c1COC2OCCCC2)[O-]	103
+c1(F)cc(cc(F)c1)COc2c[n+](cc(c2)C#N)[O-]	103
+C1CC(CCN1c2c(nc(n2-c3c(cc(cc3F)F)F)S(=O)(=O)C)Cl)C	737
+c1(F)cccc(F)c1N2c3nc(S(C)=O)nc(c3C=CC2=O)-c4cc(C(=O)Nc5sccn5)ccc4C	172
+c1(F)cccc(F)c1N2c3nc(S(C)=O)nc(c3C=CC2=O)-c4c(ccc(C(O)=O)c4)C	172
+c1(F)cccc(F)c1N2c3nc(S(C)=O)nc(c3C=CC2=O)-c4cc(C(NCc5ccccc5)=O)ccc4C	172
+Oc1nc2c(C)cc3c(c2cc1)OC(CO)C3	2730
+c1(Cl)cc([n+]([O-])c2CCCCc12)C	103
+Clc1cc(cc(Cl)c1-n2nc3c(c2)c[n+](cc3)[O-])F	103
+O=S(=O)(c1cc2c(cc1)cc(cc2)OC)C	720
+c1(cc2ccc[n+]([O-])c2cc1)N3C(c4cc(OC)ccc4C3)=O	924
+c1(ccc2c(oc(S(=O)C)n2)c1)Cn3cnc4c3cc(Cl)c(Br)c4	9068
+[n+]1([O-])cccc(C(=O)OC)c1CCl	103
+c1[n+]([O-])c2CCC(C)c2c(Cl)n1	2758
+[O-][n+]1cc(F)c2nc(-c3c(F)cccc3Cl)sc2c1	9069
+C(CCC(CCCn1c(nc2c[n+]([O-])c3ccccc3c12)CCC)=O)CCC	359
+c1c(c(C)[n+](c2c1CCCCC2)[O-])C(OCC)=O	103
+c12nc3c[n+]([O-])c4c(cccc4)c3n1OCCCC2	359
+c1([n+]([O-])c(C)ccc1)Cl	103
+C(Oc1[n+]([O-])c(C)ccc1)CCC	103
+O=S(=O)(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c5ccccc5n(C)c4	2852
+c1ccc(c[n+]1[O-])C=Cc2cc(ccc2)Nc3c(cccn3)[N+]([O-])=O	103
+c1c(Cl)c(c(cc1[N+]([O-])=O)Cl)-n2cc3c(n2)c(c[n+]([O-])c3)F	103
+Clc1c[n+](cc(Cl)c1NC(c2cc(C#N)ccc2)=O)[O-]	103
+Fc1cc(cc(F)c1C2CO2)S(=O)(=O)N(c3c(cc(C)cc3)C)CC(C)C	3038
+c1c(F)c(ccc1F)C(C(C)c2ccc[n+]([O-])c2)(Cn3ncnc3)O	103
+c1c(F)c(ccc1F)C(Cn2ncnc2)(C(C)c3[n+](cccc3)[O-])O	103
+O=S(=O)(C)Cc1c2c(ccc1)cc[nH]2	1547
+O=S1(=O)CCCOc2cc(ccc12)F	720
+c1c(ccc(N2c3c(c(Cl)nc(n3)S(=O)C)C=CC2=O)c1F)F	172
+c1ccc2c(c1)C(=O)N(C2=O)c3[n+](cc(C)c(c3)C)[O-]	103
+c1c(OC(C)=O)cc2CCC(=O)Nc2c1F	4673
+c1c2c(Br)cccc2n(-c3ccnc(S(=O)C)n3)c1	172
+c1nc(c2cc(S(=O)C)ccc2n1)NCc3ccc4OCOc4c3	357
+c1[n+](c(OCC)cc2ccccc12)[O-]	103
+c1c2ccc[n+]([O-])c2ccc1OCCBr	924
+c1c(c[n+](c(C)c1)[O-])Br	103
+Clc1ccc2c(c3c(ncn3-c4c(Cl)cccc4)c[n+]2[O-])c1	359
+c1cc(c(cc1)CS(c2nc3c(CCCC3)[nH]2)=O)N	172
+c1cc(OCC(=O)O)cc2N(CCc12)c3c4CS(Cc4nc(Cl)n3)=O	441
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(S(=O)C)s3	9070
+S(C)(=O)c1nccc(-n2c3cc(ccc3cc2)-c4cc(ccc4)[N+]([O-])=O)n1	172
+c1cc(cc(c1OC)F)CC2CO2	553
+c1cc(ccc1)-c2cc(N(c3ccnc(n3)S(=O)C)C)cc4c2[nH]cn4	172
+c1cc(ccc1)-c2cc(nnc2Cl)Nc3nc(ncc3)S(C)=O	172
+c1cc(ccc1)-c2nc(sc2C)S(=O)C	2247
+c1cc(ccc1)C(=O)CCCn2c3c4c(cccc4)[n+](cc3nc2)[O-]	359
+c1cc(ccc1)C(=O)c2nc(on2)CS(=O)c3ccccc3	357
+c1cc(ccc1)CCc2cc[n+](c3ccc(cc23)C(=O)c4ccc(cc4)Cl)[O-]	924
+c1cc(ccc1)COCC2COCc3nc4c[n+]([O-])c5c(cccc5)c4n23	359
+c1cc(ccc1)COc2c(ccc(c2)CC)Oc3c(F)cc(OC(=O)C)cc3	4673
+c1ccccc1CS(c2cc(nc3c(cnn23)C=C4NC(=O)NC4=O)Nc5cc(Cl)ccc5)=O	1056
+c1cc(ccc1)CS(=O)(=O)c2nc3c(CN(c4c(cccc4)Cl)C(N3)=O)cn2	737
+c1cc(ccc1)N(CCC2CO2)S(=O)(=O)c3ccccc3[N+](=O)[O-]	553
+c1ccccc1NC(=O)c2c3ccc(cc3[n+](c(C)c2)[O-])-c4ccc(OCC(C)(C)C(=O)O)nc4	924
+c1cc(ccc1)S(c2c3c(cc(cc3)OC)ncc2)=O	2248
+c1cc(ccc1)S(c2ccc(nc2)Br)=O	1758
+c1cc(ccc1)S(=O)c2ccc3nc(NC(=O)OC)c(Br)n3c2	1758
+c1cc(ccc1)S(=O)c2cnc(cc2)Cl	1758
+c1cc(ccc1Br)-c2ccc(cc2)OCc3ccc[n+]([O-])c3OC	103
+c1cc(ccc1-c2c3ccc(-c4cc(ccc4)[N+]([O-])=O)cc3n(-c5ccnc(n5)S(C)=O)c2)OC	172
+c1cc(ccc1C(O)=O)-c2c[n+]([O-])ccc2	103
+c1cc(ccc1-c2nc(S(C)=O)ncc2)Br	172
+c1cc(ccc1-c2nc3c(cc(S(=O)(=O)C)cc3)s2)Cl	720
+c1cc(ccc1S(=O)(=O)CCCOc2c(c(c(cc2)C(C)=O)O)CCC)C(CCCCC(OC)=O)=O	720
+c1c[n+](ccc1-c2ccc(cc2)C(C)C)[O-]	103
+c1cc(ccc1C(OC)=O)-c2cc3c(cc(cc3)OC)[n+](c2)[O-]	924
+c1cc(ccc1C)S(=O)(=O)n2cc(c3cc(cnc23)F)-c4nc(c(F)cn4)S(=O)C	1056
+c1cc(ccc1C2=NN(CC3CC3)C(C(=C2)COS(=O)(=O)C)=O)S(C)=O	357
+c1cc(ccc1Cl)CC2CO2	553
+c1cc(ccc1CCNc2c(c(CC)ncn2)C(OCC)=O)CCS(=O)C	441
+c1cc(ccc1CN2CCc3c(c(c[n+]([O-])c3C(N(C)C)=O)OC)C2=O)OC	103
+O=S(=O)(Cc1ccc(cc1)Cl)CC(c2c(C)c3c(ccc(Cl)c3)s2)=O	9071
+c1cc(ccc1CS(=O)CCn2nncc2)OCC=C	441
+c1cc(ccc1Cl)-c2cnc(S(=O)(=O)C)nc2-c3c(cc(cc3)Cl)Cl	737
+c1cc(ccc1C(O)CC2OC2)Cl	553
+c1cc(ccc1CS(CC(c2sc3ccc(cc3c2C)Cl)=O)=O)Cl	9072
+c1cc(ccc1F)-c2n(c3c(nc(Cl)cc3)n2)-c4ccnc(n4)S(C)=O	172
+c1cc(ccc1F)-c2noc(Cn3c(nc4c[n+](c5cccnc5c34)[O-])CCC)c2	4287
+c1cc(ccc1F)COCC2COCc3nc4c[n+]([O-])c5c(cccc5)c4n23	359
+c1cc(ccc1N)S(C)=O	357
+c1cc(ccc1NC(NC(c2c([N+](=O)[O-])cccc2)=O)=O)S(c3ncc(cn3)Br)=O	9073
+c1cc(ccc1NC(c2c(nccc2)S(=O)Cc3ccncc3)=O)Cl	1056
+c1cc(ccc1C#N)OCCC2CO2	553
+c1cc(ccc1OCCCCCCCC)-c2ccc(c[n+]2[O-])CCCCCCCC	103
+c1cc(ccc1S(=O)(=O)C)Oc2ccc(cc2)[N+]([O-])=O	720
+c1cc(ccc1S(=O)(=O)C)-c2n3nc(S(C)=O)ncc3cc2	172
+CC1(C)Cc2c(c(C)c(C)c(N3CCN(CC3)c4ccc(cc4)S(=O)(=O)C)c2C)O1	2146
+C1CC(CCC1)(N(CC)CC)C(=O)c2ccc(cc2)S(=O)C	357
+c1cc(ccc1S(=O)c2c3NC(Cc3ccc2)=O)Cl	2248
+c1c[n+](ccc1-c2c3c(n[nH]2)-c4c(CC3)cccc4)[O-]	103
+c1cc(ccc1S(=O)C)-c2nc3n(CCC3)c2-c4ccncc4	357
+c1c[n+](ccc1-c2ccnc(Nc3cc(ccc3)OC(F)(F)C(F)F)n2)[O-]	103
+c1c[n+](ccc1C(C)C(c2ccc(F)cc2F)(Cn3ncnc3)O)[O-]	103
+c1cc2nc(sc2cc1Oc3c4c(cccc4)ncc3)S(C)=O	2247
+c1cc(ccc1)-c2c(ccc(c2Cl)Br)S(=O)(=O)C	720
+c1ccccc1-c2c3ncn(C)c3cc(N(C)c4ccnc(n4)S(=O)C)c2	172
+c1cc(ccc1)-c2cc(C(=O)O)c[n+]([O-])c2	103
+c1ccccc1C(CCCCCn2cnc3c[n+](c4c(cccc4)c23)[O-])=O	359
+c1ccccc1C(CCCCCn2c(nc3c2c4c([n+]([O-])c3)cccc4)CCCC)=O	359
+c1ccccc1C(c2cc(S(=O)(=O)C)ncn2)OC	3444
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(F)nc(c4)CCCS(=O)(=O)CC	9074
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(nc(c4)CCCS(CC)=O)F	441
+c1ccccc1C(c2ccccc2)C3OC3	553
+c1ccccc1C(c2ccccc2)N3CC(C3)S(=O)c4ccc(cc4)Cl	357
+O=S1(=O)CCNC(CC12CCCCC2Cc3ccccc3)=O	1547
+c1ccccc1CCCNC(c2c(nc(S(=O)(=O)C)nc2-c3cc(Cl)cc(Cl)c3)C)=O	737
+c1ccccc1COC(=O)NC(C2OC2)CC(C)C	553
+c1ccccc1COc2c(cccc2C3CCCC3)CC4OC4	553
+c1ccccc1COc2c3ncccc3c(cc2Cl)S(=O)(=O)C4CCCC4	720
+c1ccccc1COc2ccc3[n+](cc4c(c3c2)n(C)c(n4)CC)[O-]	359
+c1ccccc1COc2cc3c([n+](cc4nc(COCC)n(CC(C)(C)NS(=O)(=O)C)c34)[O-])cc2	359
+c1ccccc1CS(=O)c2nc(NCc3ccc(c(c3)Cl)OC)c(C(OC)=O)c(n2)N4CCn5c(C4)ncc5	172
+c1cc(ccc1)Oc2c[n+]([O-])c(cc2)C	103
+c1ccccc1S(=O)(=O)Nc2cccc(c2)S(c3cc(C=O)c(cc3)[N+]([O-])=O)=O	2248
+c1cc(ccc1)S(=O)c2c[nH]c3ccccc23	1758
+c1cc(ccc1)S(c2ccc(cc2)Cc3csc(Br)n3)=O	2248
+c1ccccc1[Si](c2ccccc2)(OC3CC(C3)OC(C)=O)C(C)(C)C	4125
+c1cccc(-c2nc(-c3ccc(c(OCC)c3)OCC)sc2)[n+]1[O-]	103
+c1[n+]([O-])cc2ccc(C)c([N+]([O-])=O)c2c1	103
+c1[n+]([O-])cc2cccc(c2c1)Br	103
+c1c[n+](ccc1-c2c(nn(C(C)CC)c2)-c3ccc(s3)Cl)[O-]	103
+C(C)OP(OCC)(CCc1cc[n+](cc1)[O-])=O	103
+O(CC)P(OCC)(=O)Cc1cc[n+](cc1)[O-]	103
+c1n(Cc2ccc3nc(S(=O)C)sc3c2)cnc1Br	2247
+[n+]1(c(C)ccc(c1)C(=O)OC)[O-]	103
+O=S(=O)(C)c1cc2c(ncnc2cc1)NCc3cc4c(OCO4)cc3	2146
+c1nc(ncc1-c2c(cccc2)F)-n3cc(c4ccc(cc34)C(=O)OC)S(C)=O	9075
+n1nc(n(C)c1S(C)=O)-c2ccc3ccccc3c2	172
+n1(c2c[n+](ccc2c(n1)C(=O)N)[O-])CC(=O)N3C4CC4CC3C(NCc5cccc(Cl)c5F)=O	9076
+n1(c2ncccc2nc1)Cc3ccc4nc(S(=O)C)sc4c3	2247
+c1c(OC)c(cc(-c2[n+](cccc2C)[O-])c1)F	103
+c1cc[n+](c(-c2cc(ccc2)OC)c1CC(OC)=O)[O-]	103
+C1=C(C(=C=[N-])[N+](C(C)=C1)=O)C	9077
+Nc1cc(Cl)nc(C)[n+]1[O-]	2758
+n1c(nccc1-c2c(nn3c2cccc3)-c4cc([N+]([O-])=O)ccc4)S(=O)C	172
+c1cc2cc([N+]([O-])=O)ccc2[n+](c1)[O-]	924
+c1c(OCC)cc(c[n+]1[O-])Br	103
+O(c1ccc[n+]([O-])c1)c2cc(ccc2)F	103
+c1c(ccc(-c2[n+](cccc2C(=O)OCC)[O-])c1F)F	103
+n1cccnc1CNC(c2cnc(S(=O)C)nc2NCc3ccc(c(c3)Cl)OC)=O	172
+Clc1cccc(c1)C(O)c2cc(n(c2)C)C(=O)O	9078
+c1cc(ccc1[N+](=O)[O-])-c2occ(-c3cc(Cl)ccc3)n2	9079
+Clc1cccc(C(CC=C)CNC)c1	110
+c1cc(ccc1)S(=O)(=O)N(C)CC(c2cccc(c2)Cl)CC=C	92
+Clc1cccc(C(=O)c2cn(C)c(c2)C(=O)O)c1	787
+c1cc(ccc1Br)C(NC(=O)c2cccc(Cl)c2)C(C3C(CCCC3)C(=O)OC)=O	2895
+c1ncncc1Oc2cc(NC(c3cccc(Cl)c3)=O)cc(c2)Cl	50
+Clc1cccc(C(Nc2cc(c(C)cc2)OCc3c4c(n(C)n3)ncnc4Cl)=O)c1	951
+Clc1cccc(c1)C(O)CO	95
+c1cc(ccc1OCC=2OC=C(C(C=2)=O)O)CC(NCC(O)c3cccc(Cl)c3)C	87
+C1(NC(=O)CS1)=NCc2c(C)cccc2Cl	9080
+O=Cc1cc(C)c(O)c(Cl)c1	502
+Clc1cccc(C=2c3cc(OC)ccc3CCC=2)c1	3039
+Clc1cc(ccc1)C2c3c(ccc(OC)c3)CCC2	3040
+Clc1cccc(c1)C=CC(=O)N2C(CN(CC2)c3nccnc3C#N)C(OC)=O	317
+Clc1cccc(c1)CCc2cc(OC)ccc2C(=O)O	1442
+O=S(=O)(c1c2cccc(OCCCCl)c2n(Cc3cccc(Cl)c3)n1)c4cccc5ccccc45	823
+Clc1cccc(Cn2c(cc3c2nc(SC)nc3Cl)CC)c1	1836
+c1cc(ccc1NC(c2c(c(OCc3cc(Cl)ccc3)ccc2Cl)F)=O)CC(OCC)=O	22
+Clc1cccc(c1)CCc2oc(nc2C(=O)OCC)C	3666
+O=C(OCC)C(=NO)C(CCc1cc(Cl)ccc1)=O	9081
+Clc1cccc(CCNC(C)=O)c1	68
+c1c(cc(Cl)cc1)CCNCc2cc(O)ccc2	42
+FC(F)(F)Oc1ccc(cc1)OCC(NCc2scc(n2)C(=O)NCCc3cc(Cl)ccc3)=O	68
+O=S(=O)(Cl)c1ccc(cc1CCNC(=O)C)Cl	243
+Clc1cccc(CNC(c2ccc(Cl)c(N)c2)=O)c1	14
+O=C(Nc1cc(ccc1C)C(NCc2cccc(Cl)c2)=O)c3cc4cc(OC)c(OC)cc4nc3O	14
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5cc([N+](=O)[O-])c(CNCc6cccc(Cl)c6)cc5c(Br)n4	370
+c1cc(ccc1)COc2cc3cc(C(Nc4cc(C(NCc5cc(ccc5)Cl)=O)ccc4Cl)=O)c(nc3cc2OC)O	246
+Clc1cccc(CNc2cc(n(C)n2)C=O)c1	178
+Clc1cccc(CNc2cc(CO)n(C)n2)c1	398
+Clc1cccc(CNc2nc3n(cc(cc3OC)C(=O)O)n2)c1	6
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)Sc4c5c(ccc4)sc(c5)C(=O)OC	20
+C1CCCC1c2onc(c2CO)-c3c(Cl)cccc3Cl	903
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3cc(c(N)cc3)C	1538
+FC(F)(F)c1nc(OCc2c(nnn2-c3c(cccc3Cl)Cl)C(C)C)ccc1[N+]([O-])=O	2055
+c1c(Cl)c(c(cc1)Cl)Nc2ccccc2CS(=O)(=O)NCCOCCO	230
+Clc1cccc(Cl)c1C(C(O)=O)=O	2249
+Clc1cccc(Cl)c1C(=O)Nc2c(N)cnc(Nc3cc(C)nc(C)n3)c2	13
+c1nc(ncc1)CNC(C(=O)c2c(Cl)cccc2Cl)=O	2754
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=Cc2ccc(cc2)C3(CCOCC3)COC)=O	858
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=Cc2ccc(cc2)Oc3nc(OC)cc(n3)OC)=O	1046
+c1nc(ncc1)N(C)c2ccc(cc2)C=CCC(C(=O)OC)NC(c3c(Cl)cccc3Cl)=O	1046
+Clc1cccc(Cl)c1C(=O)NC(C(=O)O)CC=Cc2ccc(cc2)N(c3ncccn3)C(C)C	4
+c1cc(ccc1CC(NC(=O)c2c(Cl)cccc2Cl)C(=O)O)OCCc3nc(ccc3)NC4CCCC4	4
+c1c(Cl)c(c(cc1)Cl)Cc2[nH]c3c(cccc3)n2	442
+CC(C)c1onc(c1COC)CCc2c(Cl)cccc2Cl	1043
+Clc1cccc(Cl)c1CNc2ccnc(n2)Nc3cnn(c3)CC(=O)NC(CO)C	486
+Clc1cccc(Cl)c1COCCOCCCCCCNCC(O)c2ccc3c(COC(C)(C)O3)c2	2875
+Clc1cccc(Cl)c1COCCOCCCCCCNCC(O)c2ccc(O)c(c2)CO	2937
+c1c(Cl)c(c(cc1)Cl)COc2cc(N)c(N)cc2	0
+Clc1cccc(Cl)c1COc2cc3c(cc2)n(c(C(O)=O)c3)CCCC#N	6
+CC(C)N1C(C2=C(OCc3ccccc3)C(N=C(N2CC1)Cc4c(Cl)cccc4Cl)=O)=O	9082
+c1c(Cl)c(c(cc1)Cl)N=[N+]=[N-]	615
+c1(Cl)cccc(Cl)c1NC(N(C)c2ncnc(Nc3ccc(cc3F)F)c2)=O	1587
+C1COCCN1c2ccc(cc2)Nc3ncnc(c3)N(C)C(Nc4c(Cl)cccc4Cl)=O	1587
+c1c(Cl)c(c(cc1)Cl)NC(=O)Nc2cc3c(cccc3)cc2C(=O)N(Cc4ccccc4)CCC(=O)OCC	124
+c1cc(ccc1)CN2CCC(CC2(C)C)Oc3cccc(n3)Cl	91
+c1sccc1COc2cccc(Cl)n2	91
+Clc1cccc(Cn2c(c(CC(N)=O)c3cc(ccc23)O)CC)c1	5
+Clc1cccc(Cn2c(c(CC(N)=O)c3cc(OC)ccc23)CC)c1	4674
+Clc1cccc(Cn2c(c(CC(NN)=O)c3cc(OC)ccc23)CC)c1	743
+c1cc(ccc1C(Nc2c3ccc(Br)cc3n(c2C(=O)OCC)Cc4cccc(Cl)c4)=O)Cl	660
+Clc1cccc(Cn2c(c(N)c3ccc(cc23)Br)C(=O)OCC)c1	13
+c1c2c(c(n[nH]2)N)c(Cl)cc1	575
+Clc1cc(ccc1)Nc2nc(ncn2)Cl	360
+FC(F)(F)c1nc(ncc1C(OCc2ccccc2)=O)Nc3cccc(Cl)c3	55
+Clc1cc(ccc1)NCCC#N	3041
+Clc1cc(ccc1)Nc2ncc(C(=O)OC)c3n(ccc23)C	1504
+Clc1cc(ccc1)Nc2ccn3c(c(cn3)C=O)n2	3042
+c1cc(ccc1)CSc2n3nccc3nc(Nc4cccc(Cl)c4)c2	3042
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)-c3nnc(Nc4cccc(Cl)c4)cc3	1443
+Clc1cc(ccc1)NC(N)=S	1099
+c1cc(ccc1-c2oc(nn2)Nc3cc(ccc3)Cl)O	9083
+Clc1cccc(OCC(F)CCC2C(CC3C2CC(O3)=O)OC4OCCCC4)c1	1646
+Clc1cccc(Oc2cc(ccc2OC)CO)c1	41
+c1c(OC)c(c(cc1Nc2cncc(Oc3cc(ccc3)Cl)n2)OC)OC	1410
+C1CN(CCC1NC(CSc2cccc(Cl)c2)=O)Cc3ccccc3	4232
+Clc1cccc(c1)C(c2cc(Cl)sc2Br)O	9084
+C1CN(CCO1)CCCOc2ccc3c(n(-c4sc(c(n4)-c5cc(ccc5)Cl)C(N)=O)cn3)c2	267
+Clc1cccc(-c2c(OC)ccc(Cn3cc(nc3)-c4cnccc4)c2F)c1	371
+Clc1cccc(-c2c3c(ccc(C(c4cccc(I)c4)=O)c3)nc(OC)c2)c1	1217
+Clc1cccc(c1)-c2onc3ccc(C(c4n(cnc4)C)(c5cnc(Cl)cc5)O)cc23	9085
+c1(C)cccc(C)c1-n2cc(-c3cc(Cl)ccc3)nc2	1444
+Cc1c(c2n(c(-c3cc(Cl)ccc3)cc(n2)Cl)n1)I	1390
+Clc1cccc(c1)-c2oc3C=CN(c4ccc(c(C)c4)[N+]([O-])=O)C(c3c2)=O	9086
+c1ccccc1COCCC=Cc2ccc3ncn(-c4nc(c(C(=O)OCC)s4)-c5cccc(Cl)c5)c3c2	9087
+O=S(=O)(C)OCCCCc1ccc2ncn(-c3sc(C(=O)OCC)c(n3)-c4cccc(Cl)c4)c2c1	7
+c1cc(ccc1Nc2nc(nc(c2)CC)-c3cc(Cl)ccc3)CC(=O)N	73
+O(C)C(OC)c1cc(Nc2sc(c(-c3cccc(c3)Cl)n2)C(N)=O)c([N+](=O)[O-])cc1	9088
+Clc1cccc(c1)-c2nn3c(C)nnc3c(C)c2	2102
+Clc1cccc(c1)-c2nnn(n2)C(C)CC(NC)=O	9
+c1cc(ccn1)-c2n(c(CC(n3nc(-c4cccc(c4)Cl)nn3)C)nn2)C	9089
+Clc1cccc(c1)-c2oc3C=CN(c4cc5c[nH]nc5cc4)C(c3c2)=O	1559
+Clc1cccc(c1)-c2oc3C=CN(c4ccc(c(C)c4)N)C(c3c2)=O	0
+Clc1cccc(c1)-c2onc(C(C)O)c2	1394
+c1cc(ccc1)COc2cc(-c3n(C)c(nn3)OC(C)c4cc(-c5cccc(Cl)c5)on4)ccn2	9090
+c1cc(ccc1-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C)C(OC)=O	2511
+c1cnccc1-c2nnc(N3CCCCC3c4noc(-c5cccc(Cl)c5)c4)n2C	2511
+Clc1cccc(c1)-c2onc(c2)C=O	178
+Clc1cccc(c1)-c2onc(CO)c2	194
+Clc1cccc(c1)C(=O)c2cc(C(c3n(cnc3)C)(c4cnc(Cl)cc4)O)ccc2N	9091
+Clc1cccc(C2(CCCc3ccc(OC)cc23)O)c1	2157
+c1cc(ccc1C2=C(C(N(N=C2)c3cccc(Cl)c3)=O)Oc4ccc(cc4)F)S(=O)(=O)C	9092
+Clc1cc(ccc1)NC2c3cc(-c4cnn(c4)CCOC)ccc3N(C(C)C2)C(=O)C	250
+FC(F)(F)c1ccc(F)c(-c2c(c(on2)-c3cc(Cl)ccc3)C(=O)c4cccnc4)c1	9093
+c1cc(ccc1C=CC(=O)c2cccc(Cl)c2)Cl	307
+n1cc(cnc1)N(c2cc(NC(c3cc(Cl)ccc3)=O)cc(Cl)c2)C	9094
+Clc1cccc(c1)-c2nnc(c3cccnc23)O	9095
+Clc1cccc(-c2cc(N)n[nH]2)c1	1941
+Clc1cccc(c1)C(Nc2nc3c(o2)c(cc(c3)C(=O)N4C(COC(C)(CC(O)C)C4)C)OC)CF	30
+Clc1cccc(c1)C(Nc2nc3c(o2)c(cc(C(=O)O)c3)OC)CF	1
+Clc1cc(C2CO2)ccc1	9096
+c1cc(ccc1C)S(=O)(=O)OCC(O)c2cccc(Cl)c2	36
+c1ccc2c(C(=O)N(C2=O)C(Cc3ncccc3)c4cccc(Cl)c4)c1	2131
+Clc1cccc(c1)Cc2c(Br)sc(c2)Cl	9097
+Clc1cccc(c1)C2=C(C(N(c3nc(C)ccc23)CC)=O)CCCO	21
+Clc1cccc(c1)C2=C(C(N(c3nc(C)ccc23)CC)=O)CCC(=O)O	3
+O=S(=O)(C)OCCCC1=C(c2ccc(C)nc2N(CC)C1=O)c3cccc(c3)Cl	7
+Clc1cccc(c1)C=CC(=O)N2C(CN(CC2)c3nccnc3C#N)CO	21
+Clc1cccc(c1)C=CC(N2C(CN(CC2)c3nccnc3C#N)C(=O)N)=O	83
+Clc1cccc(c1)C=CC(=O)N2C(C(O)=O)CN(CC2)c3nccnc3C#N	4
+Clc1cccc(c1)C=CC(=O)N2CCN(CC2C#N)c3nccnc3C#N	143
+FC(F)(F)c1n2nc(N3CCN(CC3)Cc4cc(Cl)ccc4)ccc2nn1	48
+Clc1cccc(c1)C(O)Cc2ncccc2	9098
+Clc1cccc(CNCCc2ccc3c(c2)NC(=O)C(C)O3)c1	42
+c1ccccc1S(=O)(=O)NC2CN(c3c(cccc3)C2)Cc4cc(Cl)ccc4	3043
+Clc1cccc(CNc2cc(n(C)n2)C(=O)OC)c1	811
+C1Cc2c(ccc(OC)c2)C(=O)c3c1cc(cc3)Cl	358
+Clc1cccc(c1)CCc2c(C(=O)O)nc(o2)C	6
+Clc1cccc(CSc2nnc(o2)-c3cc4c(occ4)cc3)c1	9099
+Clc1cccc(c1)COc2cc3OC(C=C(CCN)c3cc2)=O	9100
+Clc1cccc(c1)COc2cc3OC(C=C(CC#N)c3cc2)=O	9101
+Clc1cccc(C#Cc2nc(C)ccc2N)c1	129
+Clc1cccc(Oc2cc(C=O)ccc2OC)c1	754
+Clc1cccc(C#CCCCCC(c2ncc(-c3ncccc3)o2)=O)c1	121
+c1ccccc1COc2nnc(C#Cc3cc(Cl)ccc3)cc2OCc4ccccc4	129
+Clc1cc(ccc1)N2C(=O)C=CC=C2	3044
+c1cc(ccc1-c2c3c(nn(C)c3cnc2)N)NC(Nc4cc(ccc4)Cl)=O	124
+c1cc(ccc1NC(Nc2cc(ccc2)Cl)=O)-c3c(-c4ccnc5[nH]ccc45)cn(CC)n3	124
+O=S(=O)(c1cc(ccc1)Cl)c2cc(CC(=O)OC)cc(c2)OC	9102
+O=Cc1n(-c2ncccc2Cl)c(Cl)c(Br)c1	2148
+O1CCOC12CCC(CC2)(O)c3ncccc3Cl	938
+Cc1ccc(cc1-c2cc3nnc(-c4c(cccc4)Cl)n3cc2)C(=O)O	3032
+Cc1c(c(-c2ccc(Cl)cc2F)ccn1)C=O	699
+FC(F)(F)c1ccc(cc1)-c2c3c(sc2C)cc(cc3)OCCN(c4nc(ncc4)C)C	54
+c1cc(ccc1F)-n2ccc3cc(ccc23)OCCCCN(C)c4ccnc(n4)C	54
+FC(F)C1COC(CN1C(=O)c2cc3c(c(c2)OC)oc(NCc4nccc(Cl)c4)n3)(CCO)C	30
+Clc1ccnc(CNc2nc3c(o2)c(cc(c3)C(=O)N4CC(C)OCC4C(O)C)OC)c1	30
+Clc1ccnc(CNc2nc3c(o2)c(cc(C(=O)O)c3)OC)c1	1
+c12cc(-c3cc(ccc3)[N+]([O-])=O)ccc1c(cn2-c4ccnc(n4)SC)Br	2186
+c1cc(ccc1)-c2c3ncn(c3cc(c2)N(c4nc(ncc4)SC)C)Cc5ccccc5	860
+c1cc([N+]([O-])=O)cc(c1)-c2cc3c(cc2)ccn3-c4ccnc(n4)SC	2186
+c1cc(ccc1)-c2cc(nnc2Cl)Nc3ccnc(n3)SC	349
+c1ccccc1-c2c3ncn(C)c3cc(N(C)c4ccnc(SC)n4)c2	860
+c1cc(ccc1Oc2c(cc(cc2)Cl)Nc3ccnc4c3ccc(CCC)n4)C(=O)NCCOC	698
+c1cc(ccc1O)Sc2ccc(C)cc2Nc3ccnc4c3ccc(CCC)n4	698
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3sc(Br)cc3ncc2	680
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(s3)SC	680
+ON=Cc1cc2nccc(Cl)c2s1	9103
+FC(F)(F)c1ccc(Sc2ccc(cc2)NC(=O)C)c(Nc3c4c(ncc3)nc(C)cc4)c1	698
+c1(C)cccc(Sc2c(Nc3c4ccc(nc4ncc3)C)cc(C)cc2)c1	698
+Cc1cc(Nc2ccnc3nc(C)ccc23)c(cc1)Sc4cc(ccc4)NC(C)=O	698
+c1c(cccc1O)Sc2c(cc(C)cc2)Nc3ccnc4nc(C)ccc34	698
+c1cc(ccc1)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	698
+c1cc(ccc1O)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	698
+c1cc(ccc1O)Sc2ccc(OCc3cccc(Br)c3)cc2Nc4ccnc5nc(C)ccc45	698
+C1CC1c2c(Cl)ccnc2	2060
+c1cc2c(sc(NC3C(O)CCCC3)n2)cc1Oc4c(Br)cncc4	242
+c1(c(F)c(ccc1)Nc2c([N+]([O-])=O)cncc2)F	179
+O(CC)P(OCC)(=O)NC1CN(CCC1Cl)c2c([N+]([O-])=O)cncc2	264
+Cc1c(cccc1)-c2c([N+]([O-])=O)cncc2	699
+c1ccccc1COc2ccncc2[N+](=O)[O-]	260
+c1csc(c1Cl)C(NC(C(=O)OC)Cc2ccc(CCCc3ccc4c(n3)NCCC4)cn2)=O	2765
+Clc1cn(nc1)-c2ccc(cc2Cl)C(C)C(NN)=O	743
+c1cc(ccc1C(=O)N)N2CCN(CC2)Cc3nc4c(Cl)cc(Cl)cn4c3	4675
+c1cc(ccc1C(C)(C)C#N)C(=O)Nc2nc3n(cc(Cl)cc3)c2	1351
+Clc1cnc(-c2cc(c(cc2)O)F)cc1	5
+Clc1cnc(-n2c(ccn2)N)c(Cl)c1	4360
+Clc1cnc(c(Cl)c1)-n2c(c([N+]([O-])=O)cn2)NC(CC)=O	1733
+FC(F)(C(=O)OCC)c1ncc(Cl)cc1Cl	1796
+c1cc(ccc1C(OC)=O)-c2c(C)cc(Nc3ncc(Cl)c(Br)c3)c(OC)c2	1759
+Clc1cnc(C(=O)C)c(Cl)c1	9104
+c1cc(ccc1C(NCCc2ncc(cc2Cl)Cl)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	14
+Clc1cnc(c(C(=O)OC)c1)-c2cc(F)ccc2	140
+Clc1c[n+](c(c(C(=O)OC)c1)Cl)[O-]	341
+c1cc(ccc1)COCC(C(=O)Nc2cc(cnc2Cl)Cl)Oc3ccc(c(c3F)C(=O)N)F	308
+NC(=O)C1C(Nc2c(c(N)ncc2Cl)[N+](=O)[O-])C3CC1C=C3	105
+O=S(=O)(NC(C=Cc1c(Oc2ncc(Cl)cc2Cl)cc(OCCOC)cc1)=O)CCCCC	4596
+Clc1cnc(Oc2cc(ccc2C=CC(=O)O)OCCOC)c(Cl)c1	108
+Clc1cnc(Oc2cccc(CO)c2)cc1	41
+CCOP(OCC)(Cc1cc(ccc1)Oc2ncc(cc2)Cl)=O	590
+Clc1c[n+](c(-c2cc(F)ccc2)c(C(=O)OC)c1)[O-]	9105
+Clc1cnc(Oc2cc(ccc2C=CC(OCC)=O)OCCOC)c(Cl)c1	136
+c1cc(ccc1Oc2c(Cl)cc(cn2)Cl)OC(C(=O)N3CCCO3)C	136
+n1cc(Oc2cccnc2)cc(OCCOC)c1[N+]([O-])=O	9106
+c1cc(ccc1)Oc2cnc(c(c2)OCCOC)[N+](=O)[O-]	9107
+Clc1cnc(-c2cc(c(cc2)OC)F)cc1	119
+Clc1cnc(cc1)CO	398
+Clc1cnc(cc1)C(Nc2ccc(c(c2)C34NC(=N)COCC3C4)F)=O	2518
+Clc1cnc(cc1)C(Nc2nc(C3(CF)COCC(=S)N3)ccc2)=O	199
+c1cc(cc[n+]1[O-])OCc2ncc(Cl)cc2	1210
+Clc1cnc(cc1)COc2ccnc(O)c2	3045
+Clc1cnc(cc1)COc2ccnc(O)c2	9108
+Clc1cnc(Oc2cccc(C=O)c2)cc1	136
+c1cc(ccc1)-c2ccc(cn2)Cl	140
+Nc1ncc(Cl)cc1I	583
+c1c(ccc(NC(c2c(cccc2)[N+]([O-])=O)=O)n1)Cl	330
+c1ccccc1C2CCCN(C2=O)CC(=O)Nc3ccc(cn3)Cl	142
+n1c(Br)cc(-c2c(nc3n2cc(Cl)cc3)-c4nc(ccc4)C)cc1	9109
+c1ccccc1C(=O)Nc2ccccc2OCC(O)CN3CC(CC3)Oc4ncc(Cl)cc4	170
+c1([N+]([O-])=O)cc(c(OC)cc1F)Nc2nc(-c3cnn4ccccc34)c(Cl)cn2	55
+n1c(Nc2c(ccc([N+]([O-])=O)c2)C(NC)=O)c(Cl)cnc1Cl	73
+n1c(Nc2cc(C)[nH]n2)c(Cl)cnc1Cl	349
+CC(C)S(=O)(=O)c1c(Nc2c(cnc(n2)Cl)Cl)cc(cc1)C=C	73
+O=S(=O)(N(C)c1c(cc(Br)cc1)Nc2nc(ncc2Cl)Cl)C	73
+O=S(=O)(NCC(Nc1c(cnc(n1)Cl)Cl)C)C	40
+Clc1cnc(nc1SC)Cl	2147
+[N+]([O-])(=O)c1c(cccc1)Oc2nc(ncc2Cl)Cl	185
+n1c(Nc2c(C(NCC)=O)cccc2F)c(Cl)cnc1Cl	73
+c1(c(Nc2c(cccc2)C(=O)NC)nc(nc1)Cl)Cl	73
+c1cc(ccc1)Nc2nc(ncc2Cl)Cl	73
+c1ccc2c(c1)C(=O)N(C2=O)C3COC4C(COC34)Nc5nc(ncc5Cl)Cl	40
+Clc1cnc2ccc(C(Cl)=NO)cc2c1	761
+Clc1cnc2ccc(C=NO)cc2c1	135
+Clc1cnc2nc(NCCO)c(nc2c1)NN	1386
+Clc1cnc2c(c1)n3c(c(NCCO)n2)nnc3	2825
+CC(C)c1nn2c(ccc(C(=O)Nc3c(Cl)cncc3Cl)c2c1)OC	9110
+Clc1cncc(Cl)c1NC(c2ccc(c3oc4ccncc4c23)OC(F)F)=O	9111
+c1c(Cl)c(c(cn1)Cl)NC(c2cccc(C#N)c2)=O	67
+Clc1cncc(Cl)c1NC(c2c3cc(C=O)nn3c(cc2)OC)=O	178
+Clc1cncc(Cl)c1NC(=O)c2ccc(OC)n3nc(cc23)C#N	4676
+Clc1cncc(Cl)c1NC(=O)c2c3n(c(cc2)OC)nc(CO)c3	168
+Clc1cncc(Cl)c1NC(=O)c2c3n(nc(C=NO)c3)c(OC)cc2	688
+Clc1cncc(Cl)c1Sc2c([N+]([O-])=O)cc(s2)C(OC)=O	4539
+Clc1cncc(Cl)c1Sc2c([N+]([O-])=O)cc(C(O)=O)s2	1
+c1cc(ccc1)CN2C(C(=C(Cl)C=N2)Cl)=O	9112
+C1CC(CCN1c2c(ccc(C)n2)C#N)=CC#Cc3cc(F)cc(F)c3	43
+c1(nc(C)ccc1C#N)N	664
+[nH]1nc2c(cnc(C)n2)c1	9113
+FC(F)(F)c1cc(Nc2nc(Cl)nc(Cl)n2)ccc1F	360
+FC(F)(F)c1c(CNC(C2CCN(CC2)c3nc(Cl)nc(n3)Cl)=O)cccc1	436
+c1(Cl)nc(nc(Cl)n1)Nc2cc(Cl)c(F)cc2	360
+c1(Cl)nc(nc(Cl)n1)NC2C(OC)Cc3c2cccc3	387
+Clc1nc(nc(Cl)n1)Nc2ncn(CCc3ccccc3)c2	3555
+c1cc(ccc1)COc2nc(Cl)nc(Cl)n2	2221
+c1(Cl)nc(nc(Cl)n1)N(C)c2ccccc2	3036
+c1cc(ccc1C(OC)=O)CNc2nc(Cl)nc(n2)Cl	387
+c1cc(ccc1N(C)CCOc2nc(Cl)nc(n2)Cl)-c3sc4c(cccc4)n3	2221
+c1(Cl)nc(nc(Cl)n1)Nc2ccc(NC(C)=O)c(OCc3ccccc3)c2	360
+c1(Cl)nc(nc(Cl)n1)Nc2ccc(OCc3ccccc3)c(Cl)c2	360
+Clc1ncc(Br)c(Nc2n[nH]c(C)c2)n1	349
+Clc1ncc(Br)c(O)n1	1173
+c1(cc(C(c2cnc(nc2Cl)Cl)O)ccc1)Br	4677
+n1c(NCCCNC(Nc2cc([N+]([O-])=O)ccc2)=O)c(cnc1Cl)Br	40
+c1ccccc1C(C)Nc2c(cnc(Cl)n2)Br	40
+C1CN(CCC1Nc2c(Br)cnc(Cl)n2)Cc3ccccc3	40
+c1c2c([nH]cc2-c3nc(ncc3C)Cl)ccc1	4678
+Clc1ncc(F)c(O)n1	1173
+c1(cc2c(OCCO2)cc1)Nc3c(F)cnc(Cl)n3	73
+c1(cc(c(F)cc1-c2c(F)cnc(n2)Cl)F)F	198
+Clc1ncc(F)c(C)n1	9114
+c1cc(N)c(Nc2c(F)cnc(n2)Cl)cc1	73
+C1CCC1N(CC(F)(F)C(=O)OCC)c2c(cnc(Cl)n2)[N+]([O-])=O	54
+C1CCCC1N(CC(F)(F)C(=O)OCC)c2c(cnc(Cl)n2)[N+]([O-])=O	54
+Nc1c(cnc(Cl)n1)[N+](=O)[O-]	266
+Clc1ncc(c(NC)n1)[N+](=O)[O-]	40
+O=S(=O)(c1ccccc1Nc2c(cnc(n2)Cl)[N+](=O)[O-])NC	73
+c1cc(ccc1Nc2c(cnc(Cl)n2)[N+](=O)[O-])I	73
+c1cc(ccc1OCC)Nc2c(cnc(Cl)n2)[N+](=O)[O-]	73
+c1cc(ccc1Nc2c(cnc(Cl)n2)[N+](=O)[O-])OC	73
+c1cc(nc(c1)Cl)N(c2ccnc(n2)Cl)C	9115
+Nc1cc(nc(SC(c2ncc3c(c2)cccc3)C)n1)Cl	9116
+c1c2nc(C(=O)OCC)cn2c(Cl)cc1	1959
+O(c1c(OC)ccc(c1)-c2ccnc(n2)N)C	511
+n1c(C)nc(Cl)cc1N	266
+c1(Oc2nc(C)nc(Cl)c2)cc3OC(Nc3c(C)c1)=O	185
+c1(cc(F)ccc1)-c2cc(Cl)nc(n2)C	198
+O=S(=O)(NC)Cc1ccc(cc1)Oc2nc(nc(c2)Cl)C	185
+c1(nc(nc(Cl)c1)-n2c3cccc(c3nc2C(F)F)OC)Cl	1098
+n1c(nc(cc1Nc2cc3c[nH]nc3cc2)Cl)Cl	73
+c1ccccc1C=Cc2cc(Cl)nc(Cl)n2	4679
+c1(cc(Cl)c(F)cc1)-c2cc(nc(Cl)n2)Cl	198
+c1cc(ccc1)-c2cc(nc(Cl)n2)Cl	198
+c1(Cl)nc(nc(Cl)c1)Nc2ccccc2	55
+c1cc(ccc1C(C)Nc2nc(Cl)cc(n2)Cl)F	96
+c12c3ccccc3n(c1cccc2)-c4nc(Cl)cc(n4)Cl	9117
+c1(ncc(cc1C)C(=O)OCC)N2CCN(C(C)C2)c3cc(nc(N4C(C)CCC4)n3)Cl	54
+c1cc(ccc1-c2cc(Cl)nc(N3CCCC3C)n2)F	198
+O=S(=O)(C)c1nc(cc(N2CC3CC2CO3)n1)Cl	54
+c1(cc(cc(F)c1-c2c(Cl)nc(nc2Cl)-n3ccnc3)F)F	937
+c1cc(ccc1Br)N2CCOc3nc(nc(Cl)c3C2=O)C	145
+c1cc(ccn1)CN2c3c(CC2=O)c(Cl)nc(N)n3	9118
+n1c(nc(c(F)c1Nc2cc(C)[nH]n2)Cl)Cl	349
+N(c1nc(nc(Cl)c1N)N)C2CCOc3c(F)cccc23	40
+C1CC1c2nc(Cl)c(c(NS(=O)(=O)c3ncc(cc3)C(C)C)n2)Oc4c(cccc4)OC	570
+Cc1nc(Cl)nc(N)n1	1342
+S(c1nc(C)nc(Cl)n1)C	9119
+c1(cc(cc(Cl)c1)Nc2nc(NC)nc(n2)Cl)Cl	360
+C1CC1Nc2nc(nc(Cl)n2)N	1342
+c1nc(ncc1F)C(Nc2nc(Cl)nc(Nc3ncn(CC#N)c3)n2)C	387
+c1cc(ccc1)CCn2cc(nc2)Nc3nc(NC(c4ncc(cn4)F)C)nc(n3)Cl	387
+c1(-n2cc(nc2)CO)c(cc(cc1)Nc3nc(nc(Cl)n3)OC)OC	360
+c1(c(c(nc(SC)n1)N)C#N)NC(C)c2nc3c(cc2-c4cscn4)n(cc3)C	40
+c1cc(ccc1Cl)Nc2nc(Cl)nc3n(cnc23)CC	1545
+C1CCCC(n2c3nc(nc(Cl)c3cn2)Cl)O1	1846
+Clc1c(cc2ccccc2n1)C(Nc3ccc(C(OC)=O)nc3)=O	1549
+n1cc(cnc1C(C)Nc2nc(c(Br)cn2)Nc3n[nH]c(C)c3)F	3927
+c1cc(ccc1Nc2ncc(c(n2)O)Br)SC	55
+CC(C)(c1nc(ncc1F)Cl)O	9120
+Brc1c(cccc1)CN2C(=NC=C(F)C2=O)Cl	9121
+OC(CN=[N+]=[N-])Cn1c(Cl)nc(c1)[N+](=O)[O-]	2930
+Nc1c(NC)nc(Cl)nc1	193
+Nc1c(O)nc(Cl)nc1	193
+n1cccnc1N2CCN(CC2)c3ncc(c(SCC(OC)=O)n3)[N+](=O)[O-]	117
+c1c(N)cc(-c2c3c(sc2)cnc(Cl)n3)cc1	4680
+c12c(scc1C(Nc3ccc4c(n3)ccnc4)=O)cnc(Cl)n2	9122
+Ic1[nH]nc2c1cnc(Cl)c2	4667
+C1CCCC(n2c3c(cnc(Cl)c3)cn2)O1	580
+COc1cc(cc(OC)c1)-c2ncc3c([nH]nc3)c2	1165
+FC(F)Cn1ncc(Nc2ncc3c([nH]nc3)n2)c1	486
+C(c1cccc([N+]([O-])=O)c1)n2ncc3cnc(nc23)Cl	1485
+COc1cc(ccc1-c2cc(Cl)ncc2)F	835
+c1(c(F)c(ccc1)-c2cc(Cl)ncc2)F	835
+c1ccccc1C(C)Nc2cc(ccn2)Br	70
+c1cc(ccc1C2N(c3ccnc(c3)Cl)CCC2)F	1465
+Clc1nccc(CO)c1	611
+FC(F)(F)c1ccc(O)c(NC(c2cc(Cl)ncc2)=O)c1	67
+FC(F)(F)c1cccc(CNC(c2cc(ncc2)Cl)=O)c1	14
+FC(F)(F)c1cnc(Nc2nccc(c2)C(O)=O)cc1	346
+c1c(F)c(F)cc2CCN(C(c3ccnc(c3)Cl)=O)c12	610
+NC(=S)NNC(c1ccnc(Cl)c1)=O	3046
+c1(cc(Cl)ncc1)-c2nc3c([nH]2)ncc([N+]([O-])=O)c3	2245
+NNc1nccc(C)c1	383
+c1cc(ccc1C(Cc2cc(Cl)ncc2)=O)F	9123
+Fc1cccc(F)c1S(=O)(=O)Nc2cc(ccc2F)C(Cc3nc(Cl)ncc3)=O	1501
+n1ccc(nc1Nc2cc(Br)cc(C)c2)C	55
+c1c(F)c(c(cc1)F)C(Nc2cccc(C(Cc3ccnc(Cl)n3)=O)c2)=O	1501
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2cccc(c2F)C(=O)Cc3ccnc(n3)Cl	4559
+c1cc(ccc1F)OCc2cc(ncc2)Cl	20
+c1cc(ccc1)C2=NN(CCNc3cc(ncc3)Cl)C(=O)C=C2	3441
+N1(CCNC1=O)c2ccnc(Cl)c2	1760
+O(c1cc(c([N+]([O-])=O)cc1F)F)c2ccnc(c2)Cl	46
+O(c1ccnc(Cl)c1)c2cnc(cc2)[N+]([O-])=O	706
+FC(F)(F)Oc1ccc(cc1)Cc2nccc(C(OC)=O)c2	9124
+c1(cc(c(F)cc1)C#N)-c2cc(ccn2)C(=O)OC	4681
+c1ccccc1COc2ccc(-c3nccc(C(OC)=O)c3)cc2C#N	4681
+CC(C)COc1ccc(cc1C#N)-c2nccc(C(OC)=O)c2	140
+O=S(=O)(C)C1CN(c2cc(C)nn2-c3cc(Cl)ncc3)C(C1)C(=O)OC	4682
+c1ccccc1S(=O)(=O)C2CN(c3n(nc(C)c3)-c4cc(Cl)ncc4)C(C2)C(=O)OC	4682
+c1c(Oc2ccnc(Cl)c2)c(F)cc(N)c1	3511
+c1c2CCC(Cc2ccc1C(=O)OC)Oc3ccnc(Cl)c3	1895
+c1ccccc1COc2cc(Cl)ncc2	1895
+c1(NC(C)=O)c2[nH]ccc2ccn1	9125
+c1ccccc1C(c2ncccc2)C#N	9126
+n1c(Br)n2c(c(N)ncc2)c1Br	522
+C1(N(c2c(F)c(ncn2)Cl)CC(C)CCC1)C	54
+FC(F)(F)c1c(CNC(=O)C2CCN(CC2)c3ncnc(Cl)n3)cccc1	436
+c1c(OC)c(c(cc1Nc2nc(Cl)ncn2)OC)OC	360
+O=S(=O)(Cc1cccc(Nc2nc(Cl)ncn2)c1)C	360
+O=S(=O)(Cc1cccc(c1)Nc2nc(Cl)ncn2)N	360
+S(C)(Cc1cccc(c1)Nc2nc(ncn2)Cl)(=O)=NC(OCC)=O	360
+c1c(ncnc1N)-c2ccc(cc2OC)F	198
+Nc1cc(ncn1)-c2c(cccc2)OC	198
+Nc1cc(ncn1)-c2ccccc2OCC	198
+c12cc(Oc3ncnc(N)c3)ccc1[nH]cc2	185
+c1ccccc1Oc2ncnc(N)c2	185
+O1C(=O)Nc2ncc(C=CC(=O)N(C)Cc3c4ccccc4n(C)c3)cc12	9127
+O=C1c2ccccc2C(=O)N1CCCCN(C3c4c(CCC3)cccn4)Cc5nc6ccccc6n5C	566
+n1(C)c(C(c2c(c(Cl)c(c(c2)OC)OC)Cl)O)ccn1	4586
+O=S(=O)(Cl)c1cnn(c1)C	9128
+C1Cc2c(-c3c1c(sc3OCC)C(=O)O)n(C)nc2	6
+FC(F)(F)c1cc(nc(c1)F)C#N	2250
+O(c1c(ncc(F)n1)C(=O)N)C	9129
+c1cc(ccc1)COCC(c2c(cc(Br)cc2)C)CF	2831
+O=S(=O)(c1cc(ccc1Cl)[N+]([O-])=O)F	4683
+O1C(N(c2ccnc(F)n2)C(C(C)F)C1)=O	9130
+c1(Br)c(Cl)ccc(F)n1	3574
+c1(c([N+]([O-])=O)cc(C)c(F)c1)OC	9131
+c1(c(c([N+]([O-])=O)ccc1)F)C	9132
+n1c(c(ccc1F)[N+]([O-])=O)C#N	2250
+c1c(cc2c(F)c(cnc2c1)-c3cnn(C)c3)Br	4356
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(COCCCCCCCCCCCCCCCC)CF	2831
+c1cc(ccc1-c2ccc(CCCCCCCC)c(n2)F)OCCCCCCCC	2250
+c1ccccc1C(CF)C	9133
+c1cc(ccc1-c2nc3ccccc3c(F)c2)N	9134
+c1cc(ccc1S(=O)(=O)C(c2cc(ccc2F)F)CCCCF)Cl	9135
+O=S(=O)(c1ccc(cc1)CC(O)=O)F	4683
+O=S(=O)(CCCCCCCc1ccc(cc1)OCc2ccccc2)F	9136
+n1cc(c2cc(OC)c(cc2c1F)F)OC	2250
+FC(F)(c1c(cc(c(C)c1)NC(=O)C)F)C(=O)OCC	4433
+FC(F)(c1ccc(cn1)C)C(=O)OCC	1796
+c1ccccc1CC(C(C(F)(F)C(=O)OCC)O)NC(=O)OCc2ccccc2	9137
+FC(F)(C(=O)OCC)c1ccccn1	1796
+FC(F)(c1ccccc1)CNc2ccc(c(CCO)c2F)Cl	15
+FC(F)(F)c1cc(OC(F)F)nc2n3c(ccc12)nc(-c4ocnn4)c3	9138
+FC(F)(F)c1cc(c(cc1)F)OC(F)F	824
+FC(F)Oc1c(cc(C=O)cc1)C	824
+FC(F)Oc1c(OC)cc(cc1)C=O	824
+FC(F)Oc1c([N+]([O-])=O)ccc(c1)F	824
+FC(F)Oc1ccc(cc1C)Br	824
+FC(F)Oc1ccc(Br)cc1CCO	824
+FC(F)Oc1c(F)cc(cc1)Br	824
+FC(F)Oc1cnc(Br)cc1	9139
+c1cc(ccc1-c2nc3ccc(COc4ccc(cc4)C(CC(=O)OCC)C#CC)cn3n2)OC(F)F	824
+FC(F)Oc1cc(OC)c([N+](=O)[O-])c(c1)-n2cc(C)nc2Br	824
+FC(F)OCCCc1cc(cc(c1C)Br)C(OC)=O	4684
+c1cc(ccc1)C(N2C(=O)c3c(cccc3)C2=O)COC(F)F	4684
+c1ccccc1CN(Cc2ccccc2)C(COC(F)F)C(=O)OC	9140
+FC(F)(OC)C(F)(F)C(=O)N	327
+FC(F)(c1ncccc1)CO	44
+FC(F)(CO)c1ncc(C)cc1F	44
+FC(F)(CO)c1ncc(cc1Cl)Cl	44
+FC(F)(C(C)=C)CCCCCCCCCCCCCCCC	9141
+FC(F)(CCO)C(C)(C)OC(C)OCC	59
+FC(F)(C(F)(F)Cl)c1ccc(cc1)NC(c2cnc(N3CCC(O)C3)c(c2)-c4ccn[nH]4)=O	747
+FC(F)(C(F)Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1O	26
+FC(F)(C(F)Cl)C(=O)Nc1c(cc(cc1)N)O	0
+FC(F)(COc1ccc(cc1)C=O)C(F)F	57
+FC(F)(Oc1cc(ccc1)Nc2nccc(n2)-c3ccnc(C#N)c3)C(F)F	4685
+FC(F)(c1nc(O)c2ccccc2n1)c3ncc(F)cc3	1677
+FC(F)(C(=O)Nc1cc(ccc1)OC(C(=O)O)CCCCCCCCCCCC)C(F)Cl	3
+FC(F)(c1ccc(F)c2ccccc12)C(=O)Nc3c(F)c(c(cc3)N)CCO	59
+c1ccccc1CCCN2CC(F)(F)C(Nc3cnc(nc23)Cl)=O	1622
+FC(F)(C)c1n(c(nn1)C)C2CCN(CC2)Cc3ccccc3	3762
+FC(F)(C)C(=O)NC(C)C(Oc1cc2c(n(-c3cc(Br)ccc3)nc2)cc1)c4ccc(OC)nc4	9
+c1cc(ccc1-n2ncc3cc(ccc23)OC(c4cccc(OC)c4)C(NC(=O)C(F)(F)C)C)Cl	9
+FC(F)(CNCCO)C	15
+FC(F)(C=CC(O)=O)C	108
+C1CC2(CC2)CCN1C(=O)NC(CC(F)(F)C)C(O)=O	4
+FC(F)(C)COc1ncc(cc1C)CN2Cc3c(ccnc3Cl)C2=O	3047
+FC(F)(C)COc1c(cc(cn1)CN)C	45
+FC(F)(C)COc1c(cncn1)CN	9142
+FC(F)(C)c1cc(c(C(=O)OC)cc1I)N	184
+FC(F)(C)c1n(C2CCNCC2)c(nn1)C	25
+FC(F)(c1nn2cc(nc2s1)C(Nc3c([N+]([O-])=O)cccc3O)=O)C	9143
+FC(F)(C)c1sc2nc(cn2n1)C(=O)O	6
+FC(F)(SCC)C(Cn1cncn1)(O)c2c(F)cc(cc2)F	1377
+FC(F)(CCC(=O)O)Cl	3
+FC(F)(CCOS(=O)(=O)c1ccc(cc1)C)C(C)(C)OC(OCC)C	36
+FC(F)(C(C)(C)OC(C)OCC)CCI	1319
+FC(F)(c1ccc(C)cn1)CN=[N+]=[N-]	1445
+c1cc(ccc1-c2n(-c3c(Cl)cccc3)nc(c2OC(=O)C)C(=O)N(CCO)CC(F)(F)C)Cl	147
+FC(F)(CNc1c(F)c(c(cc1)Cl)CC=O)c2ccc(c3ccccc23)F	24
+FC(F)(CNc1ccc(C#N)c(CC(=O)O)c1F)c2ccc(cn2)C	3
+FC(F)(C)COc1ncncc1C#N	145
+c1cc(ccc1)C(NC(NC2(c3c(OCC24CC4)ccc(Br)c3)C(F)(F)CO)=S)=O	1993
+c1cc(ccc1)COCC(F)(F)CO	149
+FC(F)(F)S(=O)(=O)OCC(F)(F)c1ncc(cc1F)C	1932
+FC(F)(c1ncc(Cl)cc1Cl)CN	9144
+FC(F)(COc1ccc(cc1)CN2CC3N(CC2C3)Cc4ccc(cc4)C(=O)OC)C(F)F	48
+c1cc(ccc1C(=O)O)CN2C3CC(N(Cc4ccc(cc4)OCC(F)(F)C(F)F)C3)C2	1
+FC(F)Oc1ccc(-c2n3nc(C)c(-n4nc(C)nc4C)c3oc2C)c(c1)C	9145
+FC(F)(c1c(Cl)cc(C(OC)=O)c(O)n1)Cl	395
+FC(F)(F)C(c1cc(C)c(c(C)c1)NC(c2cccc([N+]([O-])=O)c2)=O)=C	50
+FC(F)(F)C(=C)c1cc(C)c(c(C)c1)NC(=O)c2cccc(c2)NC(=O)c3c(C)cccc3	67
+FC(F)(F)C1(CC(=NO1)c2cc3c(cccc3Cl)s2)c4cc(Cl)cc(Cl)c4	3048
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c4CCCCc4c(C(OC)=O)s3)C1	3048
+FC(F)(F)C=1NC(N(C(C=1)=O)c2c(F)cc(c(OCC)c2)Br)=O	4686
+FC(F)(F)C=1NC(N(c2c(c(N)c(Cl)cc2F)OC)C(=O)C=1)=O	4686
+FC(F)(F)C1=CC(N(C(=O)N1)c2ccc3c(c(ns3)-c4cc(C)c(OC)cc4)c2)=O	2375
+FC(F)(F)C1(ON=C(C1)c2sc(c3c2CCC3)C(OC)=O)c4cc(Cl)c(c(Cl)c4)F	3048
+FC(F)(F)C(Cl)=CC1C(C)(C)C1C(=O)OCc2c(c(F)nc(c2Cl)F)Cl	204
+FC(F)(F)C(=Cc1cc(c(cc1)C(O)=O)C)C	6
+FC(F)(F)C(C=Cc1ccc(cc1)O)=O	964
+FC(F)(F)c1nc(c(-c2ccc(cc2)F)nc1)O	2989
+FC(F)(F)c1c(C)c(ncn1)O	9146
+FC(F)(F)c1nc2c(N)cccn2c1	9147
+FC(F)(F)C1(CN(c2ccc(cc2)S(=O)(=O)C)C(c3ccccc3)=N1)O	9148
+FC(F)(F)C1(CN(C(c2ccc(cc2)C)=N1)c3ccc(cc3)S(=O)(=O)C)O	4687
+FC(F)(F)C1(O)N=C(N(c2ccc(cc2)S(=O)(=O)C)C1)c3cc(Cl)c(C)cc3	4687
+FC(F)(F)c1nc(sc1)C(NC(=O)OCc2ccccc2)C	9149
+FC(F)(F)c1nc2cnccn2c1	9150
+FC(F)(F)c1n[nH]c(C)c1	4688
+FC(F)(F)C(c1c(-c2ccccc2)c3c(sc(Cl)c3)nc1C)=O	4005
+FC(F)(F)c1nn(-c2ccc(cc2)CCO)c(C)c1	9151
+FC(F)(F)c1cc(C2CC2)n[nH]1	4688
+FC(F)(F)c1c(C(=O)OCC)cc2ccc(C(F)(F)F)nc2n1	9152
+FC(F)(F)c1cc(nc2nc(N)ccc12)O	9153
+FC(F)(F)c1cc(nc2c(C(=O)OC)cnn12)-c3ccc(cc3)OC	9154
+FC(F)(F)c1cc(-c2ccc(cc2)C)n(-c3ccc(F)c(Cl)c3)n1	2251
+FC(F)(F)C(N(C1CCC(CC1)=O)C(C)c2ccccc2)=O	97
+N(C)c1ccc2nc(oc2c1)C	1761
+FC(F)(F)C(=O)N(Cc1ccnc2ccccc12)C3CC(Cc4ccccc4)N(CC3)C(=O)c5c(cccc5Cl)Cl	115
+C1CC1NC2CCN(CC2)C(OC3(CC3)C)=O	318
+C1C(CCCN1CCN2C(=O)C=Cc3ncc(F)cc23)CNCc4ncc5c(OCCO5)c4	318
+FC(F)(F)C(N(CC1CNCCC1)Cc2cc3c(cn2)OCCO3)=O	2
+c1(cccc(Cl)c1C(=O)N2C(Cc3ccccc3)CC(NCc4ccnc5c4cccc5)CC2)Cl	318
+FC(F)(F)C(=O)N(c1cc([N+](=O)[O-])ccc1C(=O)Nc2c3c(n[nH]2)ccc(Cc4cc(F)cc(c4)F)c3)C5CCOCC5	650
+FC(F)(F)C(N(c1c(C(=O)Nc2c3c(n[nH]2)ccc(Cc4cc(F)cc(c4)F)c3)ccc(N)c1)C5CCOCC5)=O	0
+FC(F)(F)C(=O)N(c1cc2OCC(CC(OC)=O)c2cc1)C3CCc4c(Nc5cc(ccc5N)F)cccc34	0
+c1cc(ccc1NC)C#CCCCO	1761
+N#Cc1c(NC)cccc1	1761
+FC(F)(F)C(N1C2CC(CC1CC2)C3c4ccccc4Oc5c3ccc(c5)Br)=O	4689
+C1C2CCC(CC1c3ccnc4n3nc(-c5ccncc5)c4I)N2	318
+CC1c2c(CCNC1)cc(OCC=C)c(c2)Br	318
+FC(F)(F)C(N1CCc2cc(O)c(cc2C(C)C1)Br)=O	5
+FC(F)(F)c1oc(cc1)COc2ccc(Br)cc2CC3CNC3	318
+FC(F)(F)C(N1CC(C1)Cc2cc(ccc2O)Br)=O	5
+FC(F)(F)C(N1CCCC(C1)c2c(NC(OCC)=O)c([N+]([O-])=O)ccc2)=O	2166
+FC(F)(F)C(=O)N1CC(c2cccc3[nH]cc(Cl)c23)CCC1	573
+C1CC2(CCN1Cc3cccc(CCO)c3F)CNCCO2	318
+FC(F)(F)C(N1CCC(CC1)NCc2ccc(cc2)F)=O	87
+FC(F)(F)C(N1CCC(CC1)NCc2ccc(cc2)Cl)=O	87
+C1CNCCC1C2=NCCc3cc(OC)ccc23	318
+FC(F)(F)CN1CCC(CC1)c2ccc(cc2)[N+]([O-])=O	9155
+FC(F)(F)C(=O)N1CCN(C(=O)C1)c2ccc(cc2)S(=O)(=O)Nc3sccn3	1140
+O=S(=O)(c1ccc(cc1)N2C(CNCC2)=O)Nc3sccn3	9156
+C1CN(CCN1)C(=O)c2sccn2	318
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCN(CC4)C(C(F)(F)F)=O	1499
+O=S(=O)(c1ccc(cc1)N2N=C(c3cc4c(cc3)CCNCC4)C=CC2=O)C	318
+O(c1cccc(OC)c1)Cc2cc3CCNCCc3cc2	318
+N1Cc2cc(ccc2CC1)CC(OC)=O	318
+FC(F)(F)C(N1CCc2c(CC1)ccc(c2)Oc3ncc(C(N)=O)cc3)=O	136
+FC(F)(F)C(N1CCc2c(CC1)cc(cc2)[N+]([O-])=O)=O	77
+FC(F)(F)C(=O)N1c2ccc(Br)cc2NCC1C	2252
+FC(F)(F)C(=O)N1C(C)CN(c2c1ccc(c2)Br)C(=O)c3c(F)cccc3	448
+C1CN(CCS1(=O)=N)c2ncc(cc2)C#N	4690
+FC(F)(F)C(=O)NC(C(NCCCC#Cc1ccccc1N)=O)CC	121
+c1c2ccccc2n(c1CCCNC(C(N)CC)=O)C	4691
+FC(F)(F)C(NC(C)Cc1cc(OC)ccc1OC)=O	165
+FC(F)(F)C(=O)NC(C(NCCCc1[nH]c2c(c1)cccc2)=O)CC	2112
+c1([nH]c2c(c1)cccc2)CCCNC(C(N)CC)=O	4691
+O=S(=O)(Nc1c(OCc2ccccc2)ccc(C(C(N)C)O)c1)C	399
+FC(F)(F)C(=O)NC(C(O)c1cc(NS(=O)(=O)C)c(cc1)OCc2ccccc2)C	80
+FC(F)(F)C(NC(C)Cc1ccc(cc1)Sc2ccc(cc2)OC)=O	826
+c1ccccc1C(N)COCC=C	399
+FC(F)(F)C(=O)NC1CCCN2C1c3c(cc(cc3)F)Oc4cc(c(cc24)C#N)F	180
+FC(F)(F)C(NC1CCN(CCC1)c2n(ncc2[N+](=O)[O-])CC(F)F)=O	959
+c1cc(ccc1Cl)NS(=O)(=O)c2ccc(c3CC(COc23)N)OC	399
+FC(F)(F)C(=O)NC1COc2c(ccc(OC)c2C1)S(=O)(=O)Nc3ccc(cc3)Cl	69
+FC(F)(F)C(=O)NC1Cc2c(cc(c(CC)c2)CC)C1	165
+c1cc2c(C(CCC2O)N)cc1F	399
+FC(F)(F)C(=O)NCC#Cc1cc(ccc1)N	0
+FC(F)(F)C(NCC1C2C(CC(C)C2)CN1)=O	2
+CC(C)(C)OC(N1C(CN)CCC(C)(C)C1)=O	399
+FC(F)(F)C(=O)NCC1CCC(CC1)Nc2c3cc(OC)ccc3nc(n2)C=Cc4ncccc4	40
+FC(F)(F)C(=O)NCC1CCC(CC1)N	12
+C1CC(CCC1Nc2c3cc(OC)ccc3nc(n2)C=Cc4ncccc4)CN	399
+C1CC2C(N(C(=O)c3nc(N)sc3-c4cc(F)ccc4)C1C2)CN	399
+C1C2C(CC(C)C2)C(CN)N1C(=O)c3nc(C)sc3-c4cc(C)ccc4	399
+c1cc(ccc1)COC(N2CC(OCC2)CN)=O	399
+FC(F)(F)C(NCC1CN(CCO1)Cc2ccc(Cl)c(Cl)c2)=O	171
+FC(F)(F)C(=O)NCC1OCCN(C1)C(=O)OCc2ccccc2	66
+C1CC2CN(CC1N2CCCCN)c3ccc(cc3)Cl	399
+C(CN(CCCCCCC(OCC)=O)C)N	399
+CC(C)(C)OC(NCCN(CCN=[N+]=[N-])CCN)=O	399
+FC(F)(F)C(=O)NCCN(C)CCCCCCC(OCC)=O	28
+FC(F)(F)C(=O)NCCN(CCN=[N+]=[N-])CCNC(OC(C)(C)C)=O	123
+FC(F)(F)C(=O)NCCc1nc(-c2ccc(cc2)C#N)oc1	160
+c1cc(ccc1C#N)-c2occ(n2)CCN	399
+FC(F)(F)C(=O)NCc1cc(c(cc1F)Cl)C=2NN(c3cc(c(cc3)C)Cl)C(=O)N=2	9157
+FC(F)(F)C(=O)NCc1cc(c(Cl)cc1F)C(=O)N	169
+NCc1cc(c(cc1F)Cl)C2=NC(N(N2)c3ccc(c(Cl)c3)F)=O	399
+C1CC1C#Cc2cc(c(cc2)N3C(=O)N=C(c4c(Cl)ccc(c4)CN)N3)F	4692
+FC(F)(F)C(=O)NCc1ccc(c(C2CCN(CC2)C(c3c4c(n(CCOC(F)(F)F)c3)cccc4Br)=O)c1)F	211
+FC(F)(F)C(NCc1cc(C2CCN(CC2)C(=O)c3cn(c4c3c(C)ccc4F)CCOC)c(cc1)F)=O	211
+FC(F)(F)C(Nc1c(c(N)c(cc1)O)C)=O	0
+FC(F)(F)C(=O)Nc1cc(N(C)c2ccc(cn2)[N+]([O-])=O)ccc1F	9158
+c1cc(ccc1)-c2c(c(OC)c(c(C#N)c2C)N)F	630
+FC(F)(F)C(=O)Nc1c(C)c([N+]([O-])=O)c(O)cc1	5
+FC(F)(F)C(=O)Nc1c(c(C)c(-c2ccccc2)c(c1OC)F)C#N	134
+Nc1cccc2CCOc12	630
+C1CCCN1C(Cc2cc(n(CC)n2)N)=O	4693
+FC(F)(F)C(=O)Nc1cc(N(C)c2ncc(cc2)N)ccc1F	13
+FC(F)(F)C(=O)Nc1cc(ccc1F)N(c2nc3c(nc(N)s3)cc2)C	4542
+C1CC1C(Nc2nc3c(nc(N(c4ccc(c(N)c4)F)C)cc3)s2)=O	630
+FC(F)(F)C(=O)Nc1cc(Oc2cc3sc(NC(C)=O)nc3cc2)ccc1	290
+c1cc2nc(NC(C)=O)sc2cc1Oc3cc(N)ccc3	630
+FC(F)(F)C(Nc1ccn2c(c(cn2)Cl)c1)=O	9159
+FC(F)(F)c1n(nnn1)-c2c(cc(cc2)OC)Br	9160
+N(C)(c1cc(Cl)c(N)cc1)Cc2sc(cc2)Cl	630
+Nc1ccc2c(nco2)c1C	630
+FC(F)(F)C(Nc1cc(ccc1)-c2nn3ccccc3c2-c4nc(Cl)ncc4)=O	4694
+c1c(cccc1Nc2nc(ccn2)-c3c(-c4cccc(N)c4)nn5ccccc35)F	630
+FC(F)(F)C(=O)Nc1cccc(C#Cc2nc(ncc2)Cl)c1	838
+n1ccn2cc(nc2c1)N	4695
+c1n2nc(ccc2nc1N)Cl	4695
+FC(F)(F)c1nc(-c2cc(C(O)=O)ccc2)no1	9161
+FC(F)(F)C(=O)N1Cc2c(CC1)cc(cc2)OCC	520
+FC(F)(F)c1[nH]c2C(NC(=O)N(c2n1)CCCCC)=O	9162
+FC(F)(F)C(=O)Nc1c(Br)nc(cc1)-c2cc3cnn(c3cc2)C	9163
+FC(F)(F)C(Nc1ccc2nc(C)oc2c1)=O	759
+FC(F)(F)C(=O)Nc1ccc(OC)cc1Br	759
+FC(F)(F)C(OC1CCC(CC1)C2CCC(CC2)C3OCC(CO3)CCCC)=O	4352
+FC(F)(F)C(=O)N1c2c(cc(Br)cc2)N(CC1C)S(=O)(=O)c3ccc(cc3)C	1326
+FC(F)(F)C(=O)N(CCC)c1c([N+](=O)[O-])cc(F)c([N+]([O-])=O)c1	1326
+[O-][N+]1=CC=C2C(C3(C(=O)N(CCCCC)c4ccccc34)CO2)C1=O	9164
+FC(F)(F)C(c1c[nH]c2cc(ccc12)[N+](=O)[O-])=O	531
+FC(F)(F)C(c1cn(c2cc([N+](=O)[O-])ccc12)C)=O	531
+FC(F)(F)C(NCCc1cccc([N+]([O-])=O)c1)=O	659
+FC(F)(F)C(=O)c1c[nH]c2cccc(Br)c12	531
+FC(F)(F)C(=O)c1c[nH]c2cccc(Cl)c12	531
+FC(F)(F)C(c1c[nH]c2c1c(F)ccc2Br)=O	531
+FC(F)(F)C(c1c(C)[nH]c2c1ccc(c2)OC)=O	531
+FC(F)(F)C(=O)c1cn(CCOC)c2c(F)ccc(C)c12	531
+FC(F)(F)C(N(c1c(C)c(Oc2c(cc(cc2C)C)C)nc(C)c1)CC)=O	1326
+FC(F)(F)C(Nc1c2c(ccc(c2)C(=O)c3cc(F)cc(c3)F)[nH]n1)=O	9165
+FC(F)(F)C(=O)Nc1cccc(c1)C#C	759
+FC(F)(F)C(Nc1cc(Oc2c(cc([N+]([O-])=O)cc2)C#N)c(cc1F)Cl)=O	759
+FC(F)(F)C(=O)NCCc1c(c(ccc1)Br)CC	659
+FC(F)(F)C(c1c[nH]c2cc(ccc12)Br)=O	531
+FC(F)(F)C(N(CCOc1c(N)c([N+](=O)[O-])ccc1)CCCc2c3c(cccc3)[nH]c2)=O	520
+FC(F)(F)C(=O)Nc1c(c([N+]([O-])=O)c(cc1)OC)C	759
+FC(F)(F)C(Nc1c(c(c(OC)cc1)[N+](=O)[O-])CC)=O	759
+FC(F)(F)C(N1CCc2c1cc(cc2)[N+]([O-])=O)=O	1326
+FC(F)(F)C(=O)NC(CO)c1ccccc1	659
+FC(F)(F)C(NC(C(Oc1cc2c(n(-c3ccc(cc3)F)nc2)cc1C)c4ccccc4)C)=O	659
+FC(F)(F)C(NCCc1ccn(c1)S(=O)(=O)c2ccccc2)=O	659
+FC(F)(F)c1nc(-c2ccc(cc2)CC(=O)OC)no1	9166
+FC(F)(F)C(=O)N1CCC(CC1)c2ccc(cc2)C(=O)O	520
+FC(F)(F)C(Nc1ccc(cc1)CCO)=O	759
+FC(F)(F)C(N(c1ccc(cc1)O)CCCCBr)=O	1326
+FC(F)(F)C(N(C)C1CN(CC1)c2ccc(cc2)[N+]([O-])=O)=O	520
+FC(F)(F)C(Nc1cc(ccc1)Oc2ccc(cc2)[N+]([O-])=O)=O	759
+FC(F)(F)C(=O)NC1CCCc2c1cc(cc2)F	659
+FC(F)(F)C(Nc1ccccc1C#N)=O	759
+FC(F)(F)C(=O)NCC1CCC(C)(C)CN1Cc2ccccc2	659
+FC(F)(F)C(=O)Nc1cc2ccnn2cc1	759
+FC(F)(F)C(=O)NNc1nccnc1Cl	9167
+FC(F)(F)C(CC(=O)c1cc(F)c(c(F)c1)SC)=O	1219
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(=O)OCC)c1	9168
+FC(F)(F)C(=O)NCC1OCCNC1	605
+FC(F)(F)C(=O)C(C#N)c1cc2OCOc2c(Cl)c1	9169
+FC(F)(F)C(=O)NC1C2N(c3cc(c(F)cc3Oc4cc(ccc24)F)Br)CCC1	605
+FC(F)(F)C(=O)NCCC(O)c1cc(ccc1)Br	605
+FC(F)(F)C(=O)CC(=O)c1cc(Br)ccc1	1219
+FC(F)(F)C(c1ccc(Br)cc1-n2ccc(n2)C)=O	9170
+FC(F)(F)C(=O)CC(=O)c1ccc(cc1)OC	1219
+FC(F)(F)C(NC(C(O)c1ccc(cc1)O)C)=O	605
+FC(F)(F)C(CC(=O)c1ccc(cc1)-c2cocn2)=O	1219
+FC(F)(F)C(=O)CC(c1ccc(cc1)C)=O	1219
+FC(F)(F)C(CC(c1ccc(cc1)CN=[N+]=[N-])=O)=O	1219
+FC(F)(F)C(NC1Cc2ccccc2C1)=O	605
+Fc1cc(cc(F)c1)C(C(O)c2cc(C)c(cc2)OC(F)F)=O	4696
+Fc1cc(cc(F)c1)C(C(c2ccc(cc2)OC(F)F)O)=O	4696
+CC(C)n1c2cc(OC)ccc2c(C(=O)O)c1	827
+FC(F)(F)C(=O)c1cn(CCOC(F)(F)F)c2cccc(Br)c12	9171
+FC(F)(F)Cn1c2cccc(c2c(C(=O)C(F)(F)F)c1)Cl	9172
+FC(F)(F)C(O)(c1cc(C(=O)OCC)n(CC=C)c1)c2ccc3c(c2)cnn3-c4ccc(cc4)F	9173
+c1(c2c(cccc2Cl)n(CC3CCCO3)c1)C(=O)O	827
+c1(c2c(n(CCOC)c1)cccc2Cl)C(=O)O	827
+CC(C)n1cc(c2ccc(C)cc12)C(=O)O	827
+FC(F)(F)c1scc(-c2ccccc2O)n1	9174
+FC(F)(F)C(O)(CC)c1oc(nn1)N	1517
+FC(F)(F)C(c1nnc(N)o1)(O)C	1517
+FC(F)(F)C(C(=O)OCC)(CC(c1cccc(c1OC)F)CCC)O	191
+FC(F)(F)C(C=O)(CC(c1cccc(F)c1OC)CCC)O	578
+FC(F)(F)c1nc2ccc(I)nn2c1C	4697
+FC(F)(F)c1c(n2nc(ccc2n1)Cl)C	4697
+FC(F)(F)C(=O)C(C)(C)C(c1cc2c(cc1)n(-c3ccc(cc3)F)nc2)c4ccccc4	3049
+FC(F)(F)c1nc(sc1C(=O)OCC)C	9175
+FC(F)(F)C(C(=O)NN)(O)C	561
+FC(F)(F)C(C(=O)NN)(CC)O	743
+FC(F)(F)C(C(c1c(c(Cl)c(cc1)Oc2ccc(cc2)C(=O)OC)Cl)C)(O)C=3C=CC(N(C)C=3)=O	472
+FC(F)(F)C(O)(C(c1cc(O)ccc1Cl)C)c2ccc3c(N(C)C(=O)CO3)c2	5
+FC(F)(F)C(c1cc(C)c(c(c1)C)C#N)(O)C(c2c(Cl)cc(cc2)Oc3ccc(cn3)C(=O)OC)C	136
+FC(F)(F)C(O)(C(Nc1ccc(C(=O)c2ccccc2)s1)=O)C	1477
+FC(F)(F)C(O)(C(Nc1ccc(c(OC)c1)S(=O)(=O)c2ccncc2)=O)C	33
+FC(F)(F)C(C)(C)C(N)=S	199
+FC(F)(F)C(C)(C)NC(c1cc(CCl)ccc1)=O	93
+FC(F)(F)C(C)(C)NC(=O)c1cc(ccc1)CN2CCNCC2	2
+FC(F)(F)C(C)(C)NC(=O)c1cc(ccc1)CN2CCN(CC2)C(=O)c3cc(F)c(N)cc3	30
+FC(F)(F)C(C)(C)c1c(cc(cc1F)C2C(C(O)=O)C2)F	3
+FC(F)(F)C(C)(C)c1cc(ccc1O)Cl	5
+FC(F)(F)C(C)(C)c1ccc(cc1)-c2noc(C3=CN(Cc4cnc(cc4)Cl)C(=O)C=C3)n2	9176
+FC(F)(F)C(C)(C)c1ccc(cc1)-c2noc(C3=CN(C(=O)C=C3)Cc4cnc(NC)cc4)n2	70
+FC(F)(F)C(C)(C1CCC(CC1)N)O	316
+FC(F)(F)C(C1CCC(CC1)O)(O)C	2391
+FC(F)(F)C(O)(C)c1ccc(cc1)N2C(COCc3ccccc3)CN(S(=O)(=O)c4sccc4)CC2	79
+FC(F)(F)C(c1ccc(cc1)CN)(O)C	107
+FC(F)(F)C(=Cc1ccc(C(=O)OCC)c(c1)C)C	9177
+FC(F)(F)C(CCC#N)C	300
+FC(F)(F)C(C)NS(=O)(=O)c1cn(C)c(c1)C(Nc2ccc(F)c(c2)Cl)=O	2337
+FC(F)(F)C(C)Oc1c(cc(S(=O)(=O)C)cc1)C(=O)N2CCN(CC2)c3sc(C(F)(F)F)cn3	30
+FC(F)(F)C(C)Oc1c(C2CCC2)cnc(C(NC(c3noc(C)n3)(CS(=O)(=O)C)C)=O)c1	81
+FC(F)(F)C(C1=CC(C(=CN1C)O)=O)O	9178
+FC(F)(F)c1c2c(n[nH]1)CCCC2=O	9179
+FC(F)(F)C(O)C1CCC(CC1)N	273
+FC(F)(F)C(OCC)C1CCC(CC1)Nc2ncnc(c2Cl)CC	3848
+FC(F)(F)C(C)(O)C1CCC(CC1)=O	86
+FC(F)(F)C(C=Cc1ccc(CNCc2ccccn2)c(C(F)(F)F)c1)c3cc(Cl)c(c(c3)Cl)Cl	294
+FC(F)(F)C(C=Cc1ccc(cc1)OCC(O)=O)=O	32
+FC(F)(F)C(O)(CC(C)(C)c1c(OC)ccc(F)c1)CNc2c3c(ccc2)nc(cc3)C(NC)=O	9180
+FC(F)(F)C1(O)C(Oc2c(cccc2)C1)Nc3cc(F)cc4nc(C)ncc34	9181
+FC(F)(F)C(C=Nc1cc(cc2c1cnc(C)n2)F)(CC(c3cccc(c3OC)F)CCC)O	2253
+FC(F)(F)c1cc(N)n(n1)-c2ccccc2	9182
+FC(F)(F)C(O)(C(OCC)=O)CC(C)(C)c1cc(F)ccc1OC	3995
+FC(F)(F)c1nn(-c2ccc(cc2)F)c(-c3cc(F)c(c(F)c3)SC)c1	2251
+FC(F)(F)c1nn(c(-c2cc(c(cc2)-c3occc3)C)c1)-c4ccc(cc4)S(=O)(=O)N	2251
+FC(F)(F)C(=CC(c1c2CCCc2c(C(=O)OC)s1)=O)c3cc(Cl)c(c(c3)Cl)F	4698
+FC(F)(F)C(O)(C=O)CC(C)(C)Cc1cccc(Cl)c1	578
+FC(F)(F)C(O)(C=O)CC(C)(C)c1cc(F)ccc1OC	24
+FC(F)(F)C(CC(C)(C)c1c(OC)ccc(F)c1)(CNC(=O)c2cnn(c2N)-c3ccc(cc3F)F)O	597
+FC(F)(F)C(O)(CC(C)(C)c1ccccn1)Cc2cc3ccccc3[nH]2	9183
+FC(F)(F)c1n[nH]c(c1)-c2ccc(cc2)Br	9184
+FC(F)(F)c1nn(-c2cc(F)c(S(=O)(=O)C)cc2)c(-c3ccc(cc3)Br)c1	2251
+FC(F)(F)c1cc(n(n1)-c2cnc(cc2)S(=O)(=O)N)-c3ccc(cc3)Br	9185
+FC(F)(F)C1(CC(=NO1)c2ccc(cc2)CN=[N+]=[N-])O	9186
+FC(F)(F)C(CC1(c2cc(SC)ccc2OCC1)C)=O	3049
+FC(F)(F)C(CC1CCc2cc([N+](=O)[O-])ccc2O1)OCc3ccccc3	149
+FC(F)(F)C(CC1CCc2cc(N)ccc2O1)OCc3ccccc3	0
+FC(F)(F)C(CC1CCc2c(O1)ccc([N+](=O)[O-])c2)O	31
+FC(F)(F)C(C(=O)O)(F)CCCCCCCC	460
+FC(F)(F)C(C)CCOS(=O)(=O)C	7
+FC(F)(F)C(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)(O)CN	597
+FC(F)(F)C(CNC(=O)c1cnn(-c2ccc(cc2)F)c1N)(CO)O	597
+FC(F)(F)C(O)CN1C(=NN(C1=O)CC(O)=O)c2ccc(cc2)Cl	4
+FC(F)(F)C(CN1C(=NN(Cc2sc(-c3c(Cl)cccc3)cn2)C1=O)c4ccc(cc4)Cl)O	9187
+FC(F)(F)C(O)(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)COS(=O)(=O)c3ccc(cc3)C	36
+FC(F)(F)C(O)(CNC(c1c(F)cccc1OC(F)F)=O)CNC(c2cnn(-c3ccc(cc3)F)c2N)=O	14
+FC(F)(F)C(CNC(=O)c1c(Cl)cccc1Br)(CNC(c2cnn(-c3ccc(cc3)F)c2N)=O)O	93
+FC(F)(F)C(O)(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)CNC(=O)c3c(cccc3Cl)Cl	93
+FC(F)(F)C(CN)(CO)O	273
+FC(F)(F)C(O)(CNc1cc(C)cc2n(ncc12)-c3ccc(cc3)F)CN(CCC)C(=O)c4ccccc4	30
+FC(F)(F)C(CN(C(=O)c1cccs1)CCC)(O)CNc2cc(C)cc3n(ncc23)-c4ccccc4	867
+FC(F)(F)C(CN(CC)C(c1ccccc1)=O)(O)CNc2c3cnn(-c4ccccc4)c3cc(C)c2	30
+FC(F)(F)C(CNCc1ccccc1)(O)CO	9188
+FC(F)(F)C(COC1CCN(CC1)C(OCc2ccccc2)=O)OS(=O)(=O)C	7
+FC(F)(F)C(O)(C=Nc1c2cnc(C)nc2cc(c1)F)Cc3ccccc3OC	2253
+FC(F)(F)C(=CC1C(C(OCc2ccc(c(c2)Cc3ccccc3)F)=O)C1(C)C)Cl	27
+FC(F)(F)C(F)(F)C1=NN(c2ccc(F)cc2F)C(c3nccc(Br)c3)C1	4699
+FC(F)(F)C(F)(F)C1=NN(C(C1)c2ncc(Br)cc2)c3c(Cl)cccc3	4699
+FC(F)(F)C(F)(F)C(F)(F)c1c(N)c([nH]n1)C	209
+FC(F)(F)C(F)(F)c1nc2c([nH]1)cccc2	2712
+FC(F)(F)C(F)(F)c1ccc2OC(CF)(CF)C=C(C(=O)OCC)c2c1	4700
+FC(F)(F)C(F)(F)c1ccc(cc1)C#N	4700
+FC(F)(F)C(F)(F)C1=NN(C(C1)c2ccc(cn2)-c3cc(C(=O)C)ccc3)c4c(Cl)cccc4	89
+FC(F)(F)C(F)(F)C1=NN(C(c2nccc(-c3cc(SC)ccc3)c2)C1)c4c(cc(F)cc4)F	835
+FC(F)(F)C(F)(F)CCC=CCCCNC	284
+FC(F)(F)C(F)(F)CCCCCCCNC	460
+FC(F)(F)C(F)(F)CCCCCC(CCCCCCC=C)C(=O)OCC	9189
+FC(F)(F)C(F)(F)CCCCCOS(=O)(=O)C	7
+FC(F)(F)C(F)(F)CCCCCI	572
+FC(F)(F)C(F)(F)CCCCC(C(=O)OCC)(C(=O)OCC)CCCCCCC=C	9190
+FC(F)(F)C(F)(F)CCCCI	572
+FC(F)(F)C(F)(F)CNC(=O)OC(C)C(NC1C(Nc2c(cccc2)-c3c1cccc3)=O)=O	9191
+FC(F)(F)C(F)(F)C(C=Cc1ccc(Br)cn1)=O	2364
+FC(F)(F)C(F)(F)C(C=Cc1cc(-c2ccc(cc2)SC)ccc1)=O	2364
+FC(F)(F)C(F)(F)c1ccc(cc1)C(NCCc2ccc(cc2)F)=O	14
+FC(F)(F)C(F)(F)c1n(CCOc2ccc(cc2)CC(C(=O)O)OCC)c3c(cccc3)n1	3
+FC(F)(F)C(F)(F)c1n(CCOc2ccc(cc2)CC(C(OCC)=O)OCC)c3c(cccc3)n1	656
+FC(F)(F)C(N(C1CCCCC1)Cc2cnc(cc2)CN)=O	421
+FC(F)(F)C(N(C1CCCCC1)Cc2ccc(C#N)nc2)=O	577
+FC(F)(F)C(=O)N(C1CCN(CC1)C(=O)OC2(CC2)C)C3CC3	1011
+FC(F)(F)C(=O)N(c1cc2OCC(CC(OC)=O)c2cc1)C3c4cccc(Nc5c(ccc(c5)F)[N+]([O-])=O)c4CC3	230
+CC(C)(C)OC(N1CCC(CC1)(CNC)c2ccc(cc2)I)=O	318
+FC(F)(F)C(=O)N(CC1CCCN(CCN2c3c(ncc(c3)F)C=CC2=O)C1)Cc4cc5c(cn4)OCCO5	61
+c1cc(ccc1NCCCCC#N)O	1761
+FC(F)(F)C(N(CCCc1c2c(cccc2)[nH]c1)CCOc3cccc(N)c3N)=O	0
+FC(F)(F)C(N(c1ccc(CCC(OCC)=O)c(F)c1)Cc2c(C)c3c(CCCN3CCOS(=O)(=O)C)cc2)=O	7
+FC(F)(F)C(N(CCCCC#N)c1ccc(cc1)O)=O	830
+FC(F)(F)C(N=S(=O)(c1ccc(cc1)[N+]([O-])=O)C2CC2)=O	9192
+FC(F)(F)C(C)NS(=O)(=O)c1sc(c(C(=O)Nc2cc(F)c(cc2)F)c1)C	1427
+FC(F)(F)C(C)NS(=O)(=O)c1cc(C(OC)=O)n(C)c1	1362
+FC(F)(F)C(C)NC(C(c1cn(c(c1)C(Nc2cc(c(F)cc2)C)=O)C)=O)=O	2754
+FC(F)(F)C(C)Nc1nc(nc(Cl)c1-c2c(cc(cc2F)F)F)-c3ccccn3	40
+FC(F)(F)C(NC(c1c2nc(N3C(CCC3CO)c4cc(cnc4)F)ccn2nc1)=O)C	1339
+FC(F)(F)C(NC(=S)NC(c1ccccc1)=O)C	1993
+FC(F)(F)C(N1C(=O)c2c(C(=C1)Br)n[nH]c2N)C3CC3	9193
+C1c2c(C(C)CNC1C)cc(c(OCC=C)c2)Br	318
+C1CC2CC(CC1N2)C3c4c(Oc5c3cccc5)cc(cc4)-c6[nH]nnn6	318
+FC(F)(F)C(N1C2CC(CC1CC2)C3c4ccccc4Oc5cc(C#N)ccc35)=O	1926
+FC(F)(F)C(N1C2CC(CC1CC2)C3c4ccc(cc4Oc5c3cccc5)-c6[nH]nnn6)=O	1174
+FC(F)(F)C(=O)N1C(Cc2c(C(C)C1)cc(Br)c(O)c2)C	5
+FC(F)(F)C(N1CCc2nc(O)c(cc2C(C)C1)I)=O	583
+FC(F)(F)C(=O)N1CC(C1)Cc2cc(Br)ccc2OCc3oc(cc3)C(F)(F)F	4701
+FC(F)(F)C(=O)N1CC2(CCN(CC2)Cc3cccc(CCO)c3F)OCC1	48
+O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])C3CNCC2C3	318
+FC(F)(F)C(N1CC2c3ccc(C(C)=O)cc3C(C1)C2)=O	94
+FC(F)(F)C(=O)N1CCC(CC1)C2=NCCc3cc(OC)ccc23	1120
+C1CNCCC1C(c2ccc(cc2)Br)=O	318
+CC(C)(C)OC(N(C1CCNCC1)Cc2ccc3c(OCCO3)c2)=O	318
+FC(F)(F)C(=O)N1CCC(CC1)N(Cc2ccc(cc2)Cl)C(=O)Cc3ccc(cc3)OC	58
+FC(F)(F)C(c1ccc2n(c(-c3nc4c(cc3)cc(F)c(OCC)c4)nn2)c1)N5CC(CC5)N	12
+FC(F)(F)C(N1CCC2(C)C(C)(C)C1Cc3c(O)c([N+]([O-])=O)ccc23)=O	77
+FC(F)(F)C(=O)N1CCCC(c2c(c(ccc2)N)NC(=O)OCC)C1	0
+FC(F)(F)C(=O)N1CCNCC1	2
+CC(C)(C)C(NCCC#Cc1c2CCNCCc2ccc1Cl)=O	318
+FC(F)(F)C(N1CCc2ccc(cc2CC1)N)=O	0
+c1(C(=O)N)ccc(Oc2cc3CCNCCc3cc2)nc1	318
+FC(F)(F)C(N1c2c(ccc(N)c2)CC1)=O	0
+c1ccccc1CN2CCN(CC2)CCC(Nc3ccc4CCNCCc4c3)=O	318
+FC(F)(F)C(=O)N1CCc2ccc(O)cc2CC1	5
+C1(C)CNCCc2nc(O)c(I)cc12	318
+C1CC1C(=O)N2c3cc(Br)ccc3NC(C)C2	1761
+C(S(=N)(C)=O)c1cccc([N+]([O-])=O)c1	4690
+FC(F)(F)C(N=S(c1ccc(cc1)N)(=O)C2CC2)=O	0
+FC(F)(F)c1cnc(nc1OC(C)C(C)OCc2ccccc2)Nc3ccc(cc3)S(=NC(C(F)(F)F)=O)(C4CC4)=O	55
+FC(F)(F)C(NC(=O)C(N1C(C)(C)C(CC1)C(=O)O)=O)C	3
+FC(F)(F)C(NC(=O)C(N1CCC(C1(C)C)C(Nc2cc(c(F)c(c2)F)Cl)=O)=O)C	33
+FC(F)(F)C(NC(N)=S)C	401
+FC(F)(F)C(=O)NC(C(=O)c1cc(ccc1OC)OC)C	94
+FC(F)(F)C(=O)NC(C(c1ccc(c(N)c1)OCc2ccccc2)O)C	0
+FC(F)(F)C(NC(C(c1ccc(O)c([N+]([O-])=O)c1)O)C)=O	77
+FC(F)(F)C(NC(C(O)c1ccc(c([N+]([O-])=O)c1)OCc2ccccc2)C)=O	22
+FC(F)(F)C(NC(C)Cc1cc(c(C(=O)c2ccccc2)cc1OC)OC)=O	222
+FC(F)(F)C(=O)NC(C)Cc1c(OC)cc(c(c1)OC)Cc2ccccc2	394
+FC(F)(F)C(NC(C)Cc1ccc(cc1)Sc2ccc(cc2)Oc3cc(ccc3)C(=O)OCC)=O	472
+FC(F)(F)C(NC(C)Cc1ccc(cc1)Sc2ccc(cc2)O)=O	5
+FC(F)(F)C(NC(C(O)=O)CCC)c1ccc(cc1)Br	2773
+FC(F)(F)C(=O)NC(C)Cc1ccc(cc1)I	184
+FC(F)(F)C(Nc1scc(-c2ccc(cc2)C#N)n1)C	354
+FC(F)(F)C(NC1CCCN2c3c(cc(c(Cl)c3)[N+](=O)[O-])Oc4ccccc4C12)=O	77
+FC(F)(F)C(NC1C2N(CCC1)c3c(cc(NS(=O)(=O)c4ccccc4)c(Cl)c3)Oc5ccccc25)=O	69
+FC(F)(F)C(NC1C2c3ccccc3Oc4c(cc(c(N)c4)Cl)N2CCC1)=O	0
+FC(F)(F)C(=O)NC1Cc2cc(c(cc2C1)CC)C(C)=O	94
+FC(F)(F)C(NC1Cc2c(C1)ccc(c2)CC)=O	165
+FC(F)(F)C(NC1Cc2ccc(C(C)=O)cc2C1)=O	94
+FC(F)(F)C(=O)NCC#Cc1cc(ccc1)[N+]([O-])=O	197
+FC(F)(F)C(=O)NCC1N(C(c2nc(C)sc2-c3cc(C)ccc3)=O)CC4C1CC(C)C4	837
+FC(F)(F)C(NCC1N(C(=O)c2c(sc(N)n2)-c3cccc(C)c3)C4C(C1)C4)=O	837
+FC(F)(F)C(NCC1CC2CC2N1)=O	2
+C1N(CCc2ccnc3c2nc(OC)cc3)CCCC1CN	399
+O1C(CN)CN(CC1)Cc2ccc(c(c2)Cl)Cl	399
+Nc1nc(C(=O)N2C(CC3CC23)CN)c(-c4cc(C)ccc4)s1	399
+c1cccc2c1N=C(N3CC(N(CCOCCO)CC3)CN)c4ccccc4S2	399
+FC(F)(F)C(NCC1N(CCN(C1)C=2c3ccccc3Sc4c(cccc4)N=2)CCOCCO)=O	9194
+FC(F)(F)C(NCC1N(CCNC1)CCOCCO)=O	2
+FC(F)(F)C(=O)NCC1N(C(c2c(sc(N)n2)-c3cc(F)ccc3)=O)C4CCC1C4	837
+FC(F)(F)C(=O)NCCCCN1C2CCC1CN(C2)c3ccc(cc3)Cl	123
+CC(C)OC(=O)N(CCCN)C	399
+CC(C)(C)OC(=O)N(C1CCN(C1)c2c3nc(ccc3ncc2)OC)CCN	399
+FC(F)(F)C(NCCNC(c1cccc(c1)OCC(N=[N+]=[N-])OCCOCC(OCC)=O)=O)=O	14
+FC(F)(F)C(NCCc1cc(ccc1)NN)=O	427
+FC(F)(F)C(NCCc1cccc(N)c1)=O	0
+FC(F)(F)C(=O)NCc1cc(C(=O)O)c(Cl)cc1F	3457
+N=1C(N(NC=1c2cc(ccc2Cl)CN)c3ccc(c(Cl)c3)F)=O	4692
+C1COCCC1C(=O)c2cc(N)c(C(=O)OC)s2	9195
+FC(F)(F)C(Nc1c(CC)c(N)c(O)cc1)=O	0
+FC(F)(F)C(Nc1c(CC)c([N+](=O)[O-])c(cc1)O)=O	5
+C1CC1C(=O)Nc2sc3c(n2)ccc(Oc4c(Cl)cc(F)c(c4)N)c3C#N	630
+FC(F)(F)C(Nc1cc(c(cc1F)Cl)Oc2ccc(cc2C#N)N)=O	0
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3c(nc(N)s3)cc2)c(Cl)cc1F)=O	821
+FC(F)(F)C(=O)Nc1cccc(c1)-c2c(-c3ccnc(n3)Nc4cc(ccc4)F)c5n(cccc5)n2	55
+FC(F)(F)C(=O)Nc1cc(Oc2cc3sc(N)nc3cc2)ccc1	821
+FC(F)(F)C(Nc1cc(ccc1)Oc2ccc(cc2)N)=O	0
+FC(F)(F)C(Nc1cccc([N+]([O-])=O)c1)C(=O)O	4
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN	45
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN2C(c3c(C2=O)cccc3)=O	332
+FC(F)(F)C(Nc1c(cc(cc1)NCc2ccc(Cl)s2)Cl)=O	9196
+CN(C)C(=O)CCCc1ccc(cc1)N	630
+FC(F)(F)C(Nc1ccc(cc1)CCOCOCc2ccccc2)=O	433
+c1cc(ccc1CCOCOCc2ccccc2)N	630
+Nc1ccc2c(nco2)c1CC	630
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CO	21
+c1(N)ccn2c(c(Cl)cn2)c1	630
+c1([nH]nc(N)c1)CC(Nc2cccc(c2)F)=O	4693
+FC(F)(F)C(Nc1scc(n1)-c2ccc(cc2)CN)C	107
+FC(F)(F)C(c1cn(nn1)Cc2cc3n(c(c(C(OCC)=O)c3)-c4ccc(cc4)F)cc2)(O)CC	642
+FC(F)(F)C(C(c1c(c(c(cc1)O)Cl)Cl)C)(O)C=2C=CC(N(C)C=2)=O	5
+FC(F)(F)C(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)c(O)c1)(O)C	5
+FC(F)(F)C(OCc1ccccc1)(CC(C)(C)c2c(ccc(F)c2)OC)C(OCC)=O	1907
+FC(F)(F)C(O)(C=O)CC(C)(C)c1c(c(c(cc1)Cl)F)OC	578
+FC(F)(F)C(C(c1cc(Oc2ccc(C(OC)=O)c(c2)Cl)ccc1Cl)C)(c3cc4N(C(=O)COc4cc3)C)O	472
+FC(F)(F)C(C(C)c1cc(Oc2cc(CC#N)ccc2)ccc1Cl)(c3cc4N(C(=O)COc4cc3)C)O	472
+FC(F)(F)C(O)(C)c1ccc(cc1)N2CCN(CC2COS(=O)(=O)C)S(=O)(=O)c3sccc3	7
+FC(F)(F)C(O)(C)c1ccc(cc1)N2C(CN(S(=O)(=O)c3sccc3)CC2)CO	118
+FC(F)(F)C(O)(C)c1ccc(cc1)N2CCN(S(=O)(=O)c3sccc3)CC2CNC	285
+FC(F)(F)C(O)(C)c1ccc(cc1)N2C(CN(S(=O)(=O)c3sccc3)CC2)CN(Cc4ncn(c4)C)C	879
+FC(F)(F)C(C=Nc1c2cnc(C)nc2cc(c1)F)(O)Cc3ccccc3O	5
+FC(F)(F)C1(O)C(Oc2c(cccc2)C1)Nc3cc(F)cc4nc(C)ncc34	9197
+FC(F)(F)C(C=Nc1c2c(ccc1)c(ncc2)O)(O)CC(C)(C)c3c(c(c(cc3)Cl)F)OC	2253
+FC(F)(F)C(C=Nc1c2c(ccc1)nc(cc2)C(NC)=O)(CC(C)(C)c3c(OC)ccc(F)c3)O	2253
+FC(F)(F)C(O)(CC#Cc1c(cc(C#N)cc1N)C)CC2(CCOc3ccc(S(=O)(=O)C)cc23)C	0
+FC(F)(F)C(CC1(CCOc2ccc(S(=O)(=O)C)cc12)C)(Cc3cc4c(cc(C#N)cc4[nH]3)C)O	2112
+FC(F)(F)C(=CC(=O)c1cc2c(s1)cccc2Cl)c3cc(Cl)cc(Cl)c3	4698
+FC(F)(F)C(CC)(O)c1nnc(o1)NCc2ccn3c(cc(C(OCC)=O)c3-c4ccc(cc4)F)c2	4702
+FC(F)(F)C(CC)(O)c1nnc(NCc2cc3nc(c(n3cc2)-c4ccccc4)C(=O)OCC)o1	4702
+FC(F)(F)C(O)(CC#Cc1c(C)cc(cc1[N+]([O-])=O)C#N)CC2(CCOc3ccc(S(=O)(=O)C)cc23)C	1247
+FC(F)(F)C(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)(O)CN	273
+FC(F)(F)C(Cc1c(OC)cccc1)(C=O)O	9198
+FC(F)(F)C(c1ccc2c(c1)cnn2-c3ccc(cc3)F)(c4cn(c(C(=O)O)c4)CC=C)O	6
+FC(F)(F)C(O)(c1cn(CC=O)c2c1ncnc2Cl)c3cc4cnn(c4cc3)-c5ccc(cc5)F	1156
+FC(F)(F)C(C)(O)c1ccc(cc1)O	16
+FC(F)(F)C(O)(c1cc2cnn(c2cc1)-c3ccc(cc3)F)c4cn(c5c4ncnc5Cl)CCO	237
+FC(F)(F)c1cc(ccc1O)C=O	502
+FC(F)(F)c1cc(Cl)ccc1-c2c(cc3[nH]c(C(F)(F)F)nc3c2)Cl	1640
+FC(F)(F)c1n(nnn1)-c2ccc(O)c(C=O)c2	502
+FC(F)(F)c1nc2c(OC)cccc2[nH]1	1640
+c1(cccc(c1O)Cc2c(c(OC)c(OC)c(c2OC)OC)C)C=O	502
+Fc1cc(cc(F)c1O)C=O	502
+O=Cc1cc(C)c(O)c2c1CCC2	502
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2cc(C=O)c(cc2)OC	502
+c1cc(ccc1OC)CC(NC(=O)NCc2ccon2)c3[nH]c4ccccc4n3	9199
+c1cc(ccc1)NC2(CCN(CC2)Cc3ccccc3)C(N)=O	9200
+c1cc(ccc1C(=O)N)-n2nc(-c3ccc(cc3)C(=O)OC)cc2I	9201
+O=Cc1cc(CCC(=O)O)ccc1O	502
+Clc1cc(cc(Cl)c1Oc2cc(C=O)c(cc2)OC)N3C(=O)NC(C=N3)=O	502
+FC(F)(F)c1nc2c(nc(Cl)nc2Cl)n1C	9202
+FC(F)(F)C(C)Oc1c(C(O)=O)cc(S(=O)(=O)C)cc1	556
+FC(F)(F)C(Oc1nncc2cc(Br)ccc12)C	485
+FC(F)(F)C(OC(=O)Oc1ccc(cc1)[N+]([O-])=O)C	405
+FC(F)(F)C(C=1N(C(=C(C(=O)C=1)OCc2ccccc2)CO)C)O	9203
+FC(F)(F)C(C1CCC(CC1)Nc2ncnc(c2Cl)CC)O	40
+FC(F)(F)C(CC(C)(C)c1ccccn1)=O	3049
+FC(F)(F)C1CC(c2nc(ccc2F)Br)(CF)NC(=NC(c3ccccc3)=O)O1	9204
+FC(F)(F)C(c1c(-n2ccc(C)n2)cc(Cl)cc1)Oc3cc(nc(N)n3)Cl	145
+FC(F)(F)C(c1c(cccc1)-c2cc(sc2)C)Oc3cc(nc(N)n3)Cl	145
+FC(F)(F)C(Oc1cc(nc(N)n1)Cl)c2c(cccc2)-c3cscc3C	145
+FC(F)(F)C(c1ccccc1-n2nc(cc2C)C)Oc3nc(N)nc(Cl)c3	145
+FC(F)(F)C(c1ccc(cc1)-c2ccncc2)Oc3cc(nc(N)n3)Cl	145
+FC(F)(F)C(c1ccc(cc1)NN)O	427
+FC(F)(F)C(O)c1ccc(cc1)N	0
+FC(F)(F)C(c1c(-n2ccnc2)cccc1)Oc3nc(N)nc(Cl)c3	145
+FC(F)(F)C(O)c1c(N)cccc1	0
+FC(F)(F)C(c1cc(ncc1)C(N)=O)OC	9205
+FC(F)(F)C(Oc1cc(N2CCC3(CC2)CCNC(C3)C(=O)O)nc(N)n1)c4c(-n5ccc(C)n5)cc(Cl)cc4	4
+FC(F)(F)C(c1c(cccc1)-c2cscc2C)Oc3nc(N)nc(-c4ccc(cc4)CC(C(=O)O)N)c3	198
+FC(F)(F)C(Oc1nncc2c1ccc(Nc3c(F)cc(F)cc3)c2)C	230
+FC(F)(F)C(c1c(-c2ccccc2)cc(cc1)S(=O)(=O)C)=O	2177
+FC(F)(F)C(Oc1cc(-c2ccc(cc2)CC(C(=O)O)N)nc(N)n1)c3c(cccc3)-c4cc(sc4)C	198
+FC(F)(F)C(=O)c1ccccc1NC(c2ccco2)=O	2177
+Cc1c(C(=O)O)c2ccc(cc2n1CC)OC	827
+[nH]1cc(c2ccc([N+]([O-])=O)cc12)C(=O)O	827
+Clc1cc2c(c[nH]c2cc1)C(=O)O	827
+FC(F)(F)C(C(c1ccc(O)cc1Cl)C)(c2cc(C)c(c(c2)C)C#N)O	5
+FC(F)(F)C(c1cc(C)c(c(c1)C)N)O	0
+FC(F)(F)C(C=Cc1cc(Cl)c(cc1OC)C(NCC(=O)NCC(F)(F)F)=O)c2cc(Cl)c(c(Cl)c2)Cl	1007
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2ccc(c3ccccc23)CN	45
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2cc3CCC(c3cc2)N	474
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2c3c(cccc3)c(cc2)CNC(=O)CC(F)(F)F	9
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3ccnc4c(Br)cccc34)C1	1757
+FC(F)(F)C1(ON=C(C1)c2cc(c(Cl)nc2)Cl)c3cc(Cl)cc(Cl)c3	9206
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3cccc(c3)[N+](=O)[O-]	1757
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c3c4ccncc4c(Br)cc3)=NO1	1757
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(cc3)C	1423
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(c4ccccc34)Br	1757
+FC(F)(F)C(O)(CC(c1cc2c(Cl)cccc2s1)=O)c3cc(Cl)cc(c3)Cl	3552
+FC(F)(F)C(c1cc2c(cc1F)OCC(=O)N2C)(O)C(c3c(Cl)cc(cc3)-c4cc(c(C(=O)OC)cc4)F)C	11
+FC(F)(F)C(c1ccc(cc1-n2nc(cc2)C)Br)O	9207
+FC(F)(F)C(c1ccc(cc1)-n2c(N)cc(n2)C)O	752
+FC(F)(F)C(c1c(-n2ccc(C)n2)cc(cc1)Br)Oc3cc(nc(N)n3)Cl	145
+FC(F)(F)C(c1ccc2OCC(=O)N(c2c1)C)(O)C(C)c3c(Cl)cc(Oc4ccc(C(=O)O)cn4)cc3	1
+FC(F)(F)C(c1ccc2c(N(C)C(=O)CO2)c1)(O)C(c3c(cc(O)cc3)Cl)C	5
+FC(F)(F)C(c1ccc2OCC(=O)N(c2c1)C)(O)C(C)c3c(Cl)cc(cc3)Oc4ncc(cc4)C(=O)OC	136
+FC(F)(F)C(C(C)c1ccc(-c2ccc(Cl)c(c2)C(OCC)=O)cc1Cl)(c3ccc4OCC(=O)N(c4c3)C)O	11
+FC(F)(F)C(=NO)c1ccccc1	9208
+CC(C)CCn1c2c(ccc(Cl)c2)c(c1)C(O)=O	827
+Clc1ccc2c(cn(CCC)c2c1)C(=O)O	827
+c1([N+]([O-])=O)ccc2c(cn(c2c1)C)C(=O)O	827
+FC(F)(F)C(c1cn(nn1)Cc2ccn3c(cc(C(O)=O)c3-c4ccc(cc4)F)c2)(O)CC	6
+FC(F)(F)C(n1c2c(nc1COC3OCCCC3)cnc(Nc4ccnc(n4)-c5cnn(S(=O)(=O)C6CC6)c5)c2)C	9209
+FC(F)(F)C(C)n1c(nc2cnc(Nc3ccnc(n3)-c4cnn(S(=O)(=O)C5CC5)c4)cc12)CO	168
+FC(F)(F)C1(CC(c2ccc(cc2)CNCc3ccc(cc3)SC)=NO1)O	42
+FC(F)(F)C1(CC(c2ccc(cc2)CNC(NCC(F)(F)F)=O)=NO1)c3cc(Cl)cc(Cl)c3	1957
+FC(F)(F)C1(CC(=NO1)c2ccc(cc2)CN)O	18
+FC(F)(F)C1(CC(C)(C)c2c(cccc2)C(O)=O)CO1	500
+FC(F)(F)C1(CC(C)(C)c2ccccc2C(=O)N)CO1	169
+FC(F)(F)C1(CC(=NO1)c2ccc(cc2)CN)c3cc(Cl)cc(Cl)c3	45
+FC(F)(F)C1(CC1)C(=O)NCc2cc(F)c(Cl)c(N)c2	0
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(Cl)c(Nc3nc4cc(c(cc4[nH]3)OCC(F)F)C(Nc5ccc(cc5)Br)=O)c2	9210
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(c(N=C=S)c2Cl)Cl	1381
+FC(F)(F)C1(CC1)C(=O)NCc2cc(Nc3[nH]c4c(n3)cc(C(OCC)=O)c(OCC(F)F)c4)c(cc2)Cl	1701
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(c(Nc3n(c4ccc(cc4n3)C(Nc5ccc(cc5)Br)=O)CCN(C)C)c2)Cl	1023
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(Cl)c(N)c2Cl	9
+FC(F)(F)C1(CC1)C(=O)NCc2cc(F)c(c(c2)[N+](=O)[O-])Cl	9
+FC(F)(F)C1(CC1)CN2CCC(CC2)c3cc4c(cnc(-c5ccc(cc5F)S(=O)(=O)C)c4)o3	123
+FC(F)(F)C1(CCC(CC1)(NC(Cc2cc(ccc2C)Br)=O)C(=O)OC)OC	726
+FC(F)(F)C1(CCC(CC1)(C(OC)=O)NC(Cc2cc(ccc2C)-c3ccc(cc3)Cl)=O)OC	726
+FC(F)(F)C1(CCC2(CC1)C(=C(C(=O)N2)c3c(ccc(c3)Br)C)O)OC	997
+FC(F)(F)C1(CCC(CC1)CO)O	21
+FC(F)(F)C1(CCC(CC1)CN2Cc3c(C2C(C)C)ccc(C(NCc4ccc(cc4)S(=O)(=O)CC)=O)c3)O	61
+FC(F)(F)C1(CCC(CC1)C=O)O	24
+FC(F)(F)C1(CCC(CC1)(C(O)=O)N)OC	4703
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)CCNC1	25
+FC(F)(F)C1(CCN(CC1)CC=Cc2ccc(cc2)C#Cc3ncc(cc3)-c4ccc(cc4)Cl)O	2613
+FC(F)(F)c1nc(n(-c2ccc(cc2)S(=O)(=O)C)c1)-c3ccc(cc3)C	3050
+FC(F)(F)c1nc(n(-c2ccc(cc2)S(=O)(=O)C)c1)-c3ccccc3	3050
+FC(F)(F)C1(CO1)CNc2c3c(cc(C)c2)n(-c4ccccc4)nc3	4704
+FC(F)(F)C1(c2cc(ccc2N(Cc3ccc(cc3)OC)C(N1)=O)Br)CN	157
+FC(F)(F)C1(Cc2cc(ccc2O1)-c3c(F)c(ccc3)N)c4cc(Cl)cc(Cl)c4	0
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)Oc3ccc(I)cc3C1	158
+FC(F)(F)c1nc(-c2ccc(c(Cl)c2)C)n(-c3ccc(cc3)S(=O)(=O)C)c1	3050
+FC(F)(F)C(O)(CNCc1ccccc1)CNC(c2cnn(-c3ccc(cc3)F)c2N)=O	122
+FC(F)(F)C1(ON=C(c2cnc(c(Cl)c2)C#N)C1)c3cc(Cl)cc(Cl)c3	577
+FC(F)(F)CNC(CNC(=O)c1sc(C2=NOC(C(F)(F)F)(C2)c3cc(Cl)c(c(Cl)c3)F)c4c1CCC4)=O	1816
+FC(F)(F)C1(ON=C(C1)c2sc(c3c2CCC3)C(O)=O)c4cc(Cl)c(c(Cl)c4)F	1
+FC(F)(F)C1(ON=C(C1)c2cc(c(nc2)CN)Cl)c3cc(Cl)cc(Cl)c3	421
+FC(F)(F)C1(CC2CCCc3c(cc4c(n(nc4)-c5ccc(cc5)F)c3)C2(C(=O)NC6CC6)CC1)O	4504
+FC(F)(F)C1(c2ccccc2-c3c1cc(cc3-c4cn(C(C)(C)C(=O)O)nc4)OCC(C)O)O	3
+FC(F)(F)C1(CNC(c2ccc(cc2)F)=O)NC(=O)Nc3ccc(Br)cc13	9211
+FC(F)(F)C1(c2cc(Cl)c(c(c2)Cl)Cl)CCN(C1)c3ccc(c(C)n3)C#N	9212
+FC(F)(F)C1(c2cc(Cl)c(c(c2)Cl)Cl)CCN(c3cccc(C)n3)C1	43
+FC(F)(F)C1(ON=C(C1)c2cccc(c2)N)c3cc(Cl)cc(Cl)c3	0
+FC(F)(F)C1(CC(=NO1)c2sc(C(O)=O)c3c2CCCC3)c4cc(Cl)cc(Cl)c4	1
+FC(F)(F)C1(CC(=NO1)c2ccnc3c2cccc3C#N)c4cc(Cl)cc(Cl)c4	2779
+FC(F)(F)C1(Cc2cc(ccc2O1)N)c3cc(Cl)cc(Cl)c3	0
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)Oc3c(cc(cc3)-c4cccc(N)c4)C1	134
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)CCN(c3cc(c(cc3)C(O)=O)[N+]([O-])=O)C1	1
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)CCN(c3cc([N+]([O-])=O)c(C(=O)OC)cc3)C1	34
+FC(F)(F)C1(c2c(N(C(=O)N1)Cc3ccc(cc3)OC)ccc(c2)Br)CNC(c4ccc(cc4)F)=O	14
+FC(F)(F)C1(c2ccccc2-c3c(cc(cc13)OCC(C)O)-c4cn(C(C)(C)C(N)=O)nc4)O	83
+FC(F)(F)C1=C(C(N(C(c2cc(-c3cc4[nH]c(cc4cc3)C(=O)O)ccc2)=C1)Cc5c(cc(cc5)C)C)=O)C#N	6
+FC(F)(F)c1cc(C#N)nc(c1)Cl	9213
+FC(F)(F)C1=CC(N(c2c(cc(Cl)c(OC)c2[N+](=O)[O-])F)C(=O)N1C)=O	4705
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2c(cc(c(c2N)[N+](=O)[O-])Cl)F	623
+FC(F)(F)C=1N(C(=O)N(C(=O)C=1)c2c(c(I)c(cc2F)Cl)OC)C	158
+FC(F)(F)C=1N(C(=O)N(C(=O)C=1)c2c(NC(c3c(F)cc(cc3)F)=O)c(OC)c(cc2F)Cl)C	50
+FC(F)(F)C1=CC(N(c2c(N)c(c(cc2F)Cl)C)C(N1C)=O)=O	0
+FC(F)(F)C1=CC(=O)N(c2c(cc(c3cc(C)oc23)Cl)F)C(N1C)=O	9214
+FC(F)(F)C1=CC(N(C(N1C)=O)c2c(F)cc(c3c2oc(C)c3C(=O)C)Cl)=O	2617
+FC(F)(F)C=1N(C)C(N(c2cc(c(cc2F)Cl)Oc3ccc(cc3)O)C(=O)C=1)=O	16
+FC(F)(F)C1=CC(N(c2nccn12)c3c(F)cc(Br)c([N+](=O)[O-])c3)=O	77
+FC(F)(F)C1=CC(=O)N(C(N1C)=O)c2c(F)cc(Cl)c(OC)c2N	0
+FC(F)(F)C1=CC(N(c2nccn12)c3cc(NS(=O)(=O)C)c(C#N)cc3F)=O	180
+FC(F)(F)C1=CC(=O)N(c2cc(Oc3ccc(cc3)OCc4ccccc4)c(cc2F)Cl)C(=O)N1C	1030
+FC(F)(F)C1=CC(N(c2cc(NS(=O)(=O)C)c(cc2F)Br)c3nccn13)=O	80
+FC(F)(F)C1=CC(N(c2cc(c(cc2F)Br)N)c3nccn13)=O	0
+FC(F)(F)C=1N(C)C(C(c2c(cc(Cl)c(N)c2)Cl)=NC=1)=O	0
+FC(F)(F)c1nn(c(OC(F)F)c1C)C(C)C	9215
+FC(F)(F)C1C(C(OCC)=O)=Cc2cc(C#N)ccc2O1	1308
+FC(F)(F)C1C(C(NC(NC(=O)c2ccccc2)=S)(c3ccccc3F)CO1)CO	1993
+FC(F)(F)C1C2CSC(=NC2(CO1)c3ccccc3F)NC(=O)c4ccccc4	9216
+FC(F)(F)C1C(=Cc2c(O1)ccc(C#N)c2)C(=O)O	108
+FC(F)(F)C1Oc2c(cc(C)cc2C=C1C(OCC)=O)CI	4706
+FC(F)(F)C1C2C(NC(=N)SC2)(CO1)c3ccccc3F	9217
+FC(F)(F)C1CC(CF)(NC(=N)O1)c2c(ccc(n2)NC(=O)c3ccc(cn3)C#N)F	9218
+FC(F)(F)C1CC(O)(CNC(=O)c2cn(c3c2c(ccc3)Cl)CC4OCCC4)CCC1	56
+FC(F)(F)C1CC(N=C(N)O1)(CF)c2c(ccc(Br)n2)F	9219
+FC(F)(F)C1CCC(CC1)CN	15
+FC(F)(F)C1CCC(CC1)C(=O)CN2CCC(CC2)N3c4ccc(S(=O)(=O)C)cc4NC3=O	2382
+FC(F)(F)C1CCC(CC1)C(=O)N	83
+FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C	61
+FC(F)(F)C1CCC(CC1)C=O	24
+FC(F)(F)C1CCC(CC1)NC(c2c(OCCOC)nc(NC)c(c2)N)=O	13
+FC(F)(F)C1CCC(CC1)NC(c2c(nc(c([N+]([O-])=O)c2)Cl)OCCOC)=O	475
+FC(F)(F)C1CCC(CC1)NC(c2c(OCCF)nc(c([N+]([O-])=O)c2)Cl)=O	475
+FC(F)(F)C1CCC(CC1)NC(=O)c2c(OCCF)nc(NC)c(N)c2	13
+FC(F)(F)C1CCC(CC1)NC(c2c(OCCF)nc(c([N+](=O)[O-])c2)NC)=O	70
+FC(F)(F)C1CCC(CC1)NC(=O)c2cc([N+](=O)[O-])c(NC)nc2OCCOC	70
+FC(F)(F)C1CCC(CC1)Oc2ccc3cc(CN4CC(C4)C(=O)O)ccc3c2	4
+FC(F)(F)C1CN(c2c(Cl)cc(c(c2)NC)N)CCC1	0
+FC(F)(F)C1N(c2ncc(cn2)-c3cccc(NC(C(C)n4cnc5N(C)C(=O)N(C(=O)c45)C)=O)n3)CCC1	142
+FC(F)(F)C1CCN(CC1)CCO	95
+FC(F)(F)C1CCN(CC1)CCOc2ccc3c(c2)cc(C(OCC)=O)o3	126
+FC(F)(F)C1CCN(CC1)CCOc2ccc3c(c2)cc(C(=O)O)o3	6
+FC(F)(F)C1CCN(CC1)c2c(C#N)cc(N)c(c2)NC	0
+FC(F)(F)C1CCN(CC1)c2cc3n(C)c(nc3cc2Cl)Nc4cc(c(F)cc4Cl)C#N	1023
+FC(F)(F)C1CCN(CC1)c2cc(NC)c(N)cc2Cl	0
+FC(F)(F)C1CCN(CC1)c2cc3n(C)c(nc3cc2Cl)Nc4c(cc(c(CN)c4)F)Cl	107
+FC(F)(F)C1c2ccccc2N(CC1)C(C(N)=O)C	83
+FC(F)(F)C1CCN(c2c1cccc2)C(C(=O)O)C	3
+FC(F)(F)C1CCN(CC1)c2c(C#N)cc(c(NC)c2)[N+](=O)[O-]	202
+FC(F)(F)C(O)CN1CCCC(c2cc(S(=O)(=O)C)ccc2)C1	170
+FC(F)(F)C1C(C(OCC)=O)=Cc2cc(C)cc(CO)c2O1	41
+FC(F)(F)C1C(=Cc2cc(C=NO)ccc2O1)C(OCC)=O	135
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4n(cc(CC(F)(F)F)n4)CCO	54
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4nc(cn4CCOS(=O)(=O)C)CC(F)(F)F	7
+FC(F)(F)C1CCN(C(CN)C)c2c1cccc2	15
+FC(F)(F)C=1C=C(C)N(c2c(Cl)ccc(c2)C(N(c3cccc(F)c3Cl)C)=O)C(N=1)=O	610
+FC(F)(F)C=1C=C(C)N(C(N=1)=O)c2c(ccc(C(O)=O)c2)Cl	6
+FC(F)(F)C=1N(C(=O)N(c2c(O)c(c(Cl)cc2F)I)C(=O)C=1)C	5
+FC(F)(F)C=1N(C)C(N(c2c(cc(c(Oc3ccc(cc3)OCc4ccccc4)c2)[N+](=O)[O-])F)C(=O)C=1)=O	46
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2cc(c([N+](=O)[O-])cc2F)Oc3c(ccnc3)OCc4ccccc4	551
+FC(F)(F)C=1N(C(N(C(C=1)=O)c2cc3c(cc2)snc3-c4ccc(O)c(c4)C)=O)C	5
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(F)cc(Cl)c(C)c2NC(Oc3ccccc3)=O	9220
+FC(F)(F)C1=CC(=O)N(c2c(cc(Br)c3OC(Cc23)C)F)C(N1C)=O	4258
+FC(F)(F)C=1N(C)C(N(c2c(cc(N)c(Oc3c(OCc4ccccc4)ccnc3)c2)F)C(=O)C=1)=O	0
+FC(F)(F)C1=CN=C(c2c(cc(c([N+](=O)[O-])c2)Cl)Cl)C(=O)N1C	31
+FC(F)(F)C1=CN=C(c2c(cc(Cl)c(O)c2)F)C(N1C)=O	5
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2cc(c(cc2F)Cl)C(=O)O	6
+FC(F)(F)C=1N(C(N(c2c(cc(Br)c(O)c2CC=C)F)C(=O)C=1)=O)C	423
+FC(F)(F)C1=CC(N(c2cc(c(N)cc2F)Oc3ccc(cc3)OCc4ccccc4)C(=O)N1C)=O	0
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(cc(c(c2F)[N+]([O-])=O)Cl)F	31
+FC(F)(F)c1cc(nn1C)Oc2cc(Oc3c(cccc3)OCC(OC)=O)c(cc2)[N+]([O-])=O	9221
+FC(F)(F)C1=CC(=O)N(C(=O)N1)c2cc3c(snc3Cl)cc2	9222
+FC(F)(F)C1=CC(=O)N(c2c(F)cc(Cl)c(C)c2[N+](=O)[O-])C(N1C)=O	4705
+FC(F)(F)C1=CC(=O)N(C(=O)N1)c2c(cc(c(c2[N+]([O-])=O)OC)Cl)F	31
+FC(F)(F)C=Cc1ccc(C(Nc2cc3N(CCCc3cc2)C(=O)C)=O)c(c1)C	67
+FC(F)(F)CC(=O)NN	743
+FC(F)(F)CC(C)CO	2859
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)CO	1427
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O	86
+FC(F)(F)CC(C)(C)CC1=Nc2n(cnc2C(N1c3ccc(cc3)Cl)=O)C	9223
+FC(F)(F)CC(C(N)CO)C	21
+FC(F)(F)CC(C)C(C(=O)O)N	4707
+FC(F)(F)CC(C(NS(=O)(=O)c1sc(cc1)Cl)C(O)C)C	684
+FC(F)(F)CC(C)C(NS(=O)(=O)c1ccc(s1)Cl)C=O	24
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3c(OC)cc(C(=O)NS(=O)(=O)c4ccccc4C)cc3)cn(C)c2cc1	14
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3ccc(C(=O)OC)cc3OC)c[nH]c2cc1	14
+FC(F)(F)CC(C)CNC(=O)c1cc2c(cc1)[nH]cc2Cc3c(OC)cc(C(O)=O)cc3	1
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3ccc(C(=O)OCc4ccccc4)cc3OC)c[nH]c2cc1	47
+FC(F)(F)CC(C=O)C	24
+FC(F)(F)Cc1n2c(nc1)c(C#N)c(cc2)Br	9224
+FC(F)(F)CC(Nc1nc(Cl)c(C#N)nc1)C(N)=O	2941
+FC(F)(F)CC(Nc1nc(Nc2ccc3c(cccn3)c2)c(nc1)C(N)=O)C(N)=O	1198
+FC(F)(F)CC(Nc1cnc(C#N)c(Nc2ccc3c(cccn3)c2)n1)C(N)=O	1410
+FC(F)(F)CCCNC1CCCCC1	15
+FC(F)(F)CCC(C#N)(C#N)CCCCCF	559
+FC(F)(F)CCC(C#N)(C#N)CCCCCO	118
+FC(F)(F)CCC(C#N)(C#N)Cn1nc(C(F)(F)F)c(Br)c1	9225
+FC(F)(F)CCC(C#N)(C#N)CCCCCOCc1ccccc1	3745
+FC(F)(F)CCC(C(O)=O)N1CC(=CC1=O)Oc2c(cccc2)Cl	4
+FC(F)(F)CCC(c1cccc(c1)Cl)CI	343
+FC(F)(F)CCC(N(Cc1c(cc(C(N)=NO)cc1)F)S(=O)(=O)c2ccc(cc2)Cl)C(N)=O	253
+FC(F)(F)CCC(NS(=O)(=O)c1ccc(cc1)Cl)C(N)=O	1946
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC(CO)O)n3	265
+FC(F)(F)CCC(C(OC)=O)N1C(C=C(C1)Oc2c(cccc2)Cl)=O	9226
+FC(F)(F)CCC(CO)c1cc(ccc1)Cl	647
+FC(F)(F)CCCOc1ccc2c(scc2NC(OCC)=O)c1	8
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)OCC	601
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)O	6
+FC(F)(F)CCCc1cncc2c1cc(OC)cc2	9227
+FC(F)(F)CCCN(c1ccc(cc1[N+](=O)[O-])Br)C2CCCCC2	34
+FC(F)(F)CCCNc1ccc(cc1N)C#N	0
+FC(F)(F)CCCOc1ccc(cc1)C=O	126
+FC(F)(F)CCCOc1ccc(cc1)C(=O)C(F)(F)F	2177
+FC(F)(F)CCCOc1ccc(cc1)C(O)C(F)(F)F	714
+FC(F)(F)CCCc1c2cc(OC3CCNCC3)ccc2cnc1	2
+FC(F)(F)CCCc1cncc2ccc(cc12)O	5
+FC(F)(F)CCCn1c2c(nc1CO)cc(CN)cc2	107
+FC(F)(F)CCCn1c(CO)nc2cc(ccc12)C#N	59
+FC(F)(F)CCN1CC(CC1)Nc2ccc(C#N)c(c2)Cl	183
+FC(F)(F)CCNC(=O)c1ccc(cc1)C(=O)C	14
+FC(F)(F)CCN1CCC(CC1)CN	15
+FC(F)(F)CCN1CCC(CC1)C(=O)O	3
+FC(F)(F)CCN1CCC(CC1)CNCC(COc2cccc3[nH]c(cc23)C)O	122
+FC(F)(F)CCN1CCN(CC1)c2cc(c(cc2N)Cl)Cl	0
+FC(F)(F)CCN1CCN(CC1)c2c(ccc(Cl)c2)NC(c3cc4CNCCc4cc3)=O	2
+FC(F)(F)CCN1CCN(CC1)c2c(cc(c(c2)Cl)Cl)NC(=O)c3c(cc(CBr)cc3)F	67
+FC(F)(F)CCOc1ccc(cc1)-n2c(c(nc2-c3ccc(cc3Cl)Cl)C(=O)OCC)C	20
+FC(F)(F)CCOS(=O)(=O)c1ccc(cc1)C	36
+FC(F)(F)CCOc1cc(C=O)ccc1	450
+FC(F)(F)CCOc1c(cc(c(C(=O)O)c1Cl)F)Cl	634
+FC(F)(F)CCOc1cc(CNCCc2c3cc(ccc3[nH]c2)OC)ccc1	42
+FC(F)(F)CCOc1ccc(cc1)-n2c(-c3c(Cl)cc(cc3)Cl)nc(C(=O)O)c2C	6
+FC(F)(F)CCS(=O)(=O)CCCN(CCCO)CCCCCCC1=C(CCCc2c1ccc(O)c2)c3ccccc3	28
+FC(F)(F)CCS(=O)(=O)CCCN(CCO)CCCCCCC1=C(CCCc2cc(O)ccc12)c3cccc(c3)O	28
+FC(F)(F)CCSCCC(=O)Nc1c(Cl)nn(-c2cccnc2)c1	4708
+FC(F)(F)CCSCCC(=O)N(c1c(Cl)nn(-c2cccnc2)c1)CC	9228
+FC(F)(F)CCc1c(ccc(C(=O)C)c1O)OCCCOc2cc(NC(C(OC)=O)=O)ccc2	5
+FC(F)(F)CCc1c(ccc(C(C)=O)c1OC)OCCCOc2cc(NC(C(OC)=O)=O)ccc2	994
+FC(F)(F)CCc1c(ccc(C(C)=O)c1OC)OCCCOc2cc(ccc2)N	0
+FC(F)(F)COc1ccccc1OC	3525
+FC(F)(F)Cn1cc(c(n1)-c2ccc(cc2)OCc3ccccc3)-c4ccncc4	9229
+FC(F)(F)CNCc1c(-c2cc(CC(=O)OC)ccc2OC)ccc(c1)C(F)(F)F	42
+FC(F)(F)CNC(c1ccc(C)c(c1)-c2nc(nc3N(C(=O)C=Cc23)c4c(F)cccc4F)NCCCN(CC)CC)=O	14
+FC(F)(F)CNc1ccc(cn1)[N+](=O)[O-]	70
+FC(F)(F)CNc1c(c(Cl)nc(-n2ccnc2)n1)-c3c(cc(cc3F)F)F	40
+FC(F)(F)CNC(=O)c1cnc(OCc2c(noc2C)-c3ccccc3F)cc1	1650
+FC(F)(F)CN1C(O)(c2c(NC1=O)ccc(F)c2)c3ccccc3	9230
+FC(F)(F)CNC(C1CC(=O)N(Cc2ccccc2)C1)=O	248
+FC(F)(F)CNc1c(cc2c(oc(c2C(NC)=O)-c3ccc(cc3)F)n1)-c4ccc(F)c(C(O)=O)c4	70
+FC(F)(F)CNC(=O)c1ccc(cc1)C=O	93
+FC(F)(F)CNC(C1(c2ccccc2-c3c1cccc3)CCCCBr)=O	68
+FC(F)(F)CN(c1ccc(cn1)N)C	13
+FC(F)(F)CN(c1ncc(cc1)NC(c2c(nn(n2)-c3ccccc3)C)=O)C	1285
+FC(F)(F)CN1C=C(c2ccc(cc2)F)C(=O)C(C(Nc3ccc(cc3)-c4cc(cnc4N)-c5cn(C)nc5)=O)=C1	9231
+FC(F)(F)CN1CCC(CC1)N	316
+FC(F)(F)CN1CCC(CC1)COc2cc(F)c(cc2C3CC3)C(=O)O	1
+FC(F)(F)CN1CCC(CC1)NC(c2cnc(cc2)-c3cccc(C#N)c3)=O	56
+FC(F)(F)CN1CCC(CC1)NC(=O)c2cnc(-c3ccccc3F)cc2	56
+FC(F)(F)CN1CCC(CC1)c2ccc(cc2)N	2737
+FC(F)(F)CN1CCC(CC1)c2ccc(cc2)NC=O	9232
+FC(F)(F)CN1CCNCC(C1=O)NC(OC(C)(C)C)=O	62
+FC(F)(F)CN1CCN(Cc2c(F)c(ccc2)F)CC(C1=O)N	84
+FC(F)(F)CN1CCN(Cc2cccc(F)c2F)CC(NC(=O)OC(C)(C)C)C1=O	48
+FC(F)(F)CNC(=S)Nc1ccnc(SCCCC#N)n1	9233
+FC(F)(F)CNC(=S)Nc1cccc(CO)c1	2898
+FC(F)(F)CNC(=N)Nc1nc(ncc1)SCCCC(=O)N	645
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2cnc3n2ncc(-c4cc(C(=O)O)ccc4)c3	1
+FC(F)(F)CNC(=O)c1ccc(cc1)C=NO	135
+FC(F)(F)CNC(=N)Nc1cccc(CO)c1	3051
+FC(F)(F)CNC(=N)Nc1nc(SCCCC#N)ncc1	3051
+FC(F)(F)CNC(=O)C1(c2c(-c3c1cccc3)cccc2)CCCCN4CCN(CC4)c5ccc(cc5)[N+]([O-])=O	28
+FC(F)(F)CNCC1CN(Cc2ccccc2)C(C1)=O	15
+FC(F)(F)CN=C(N)Nc1nn(CCCCC#N)cn1	3672
+FC(F)(F)CNCC1(CCN(CC1)c2c3n(nc(Nc4ccc(cc4)C(N(C)C5CCN(CC5)C)=O)n3)ccc2)CO	3694
+FC(F)(F)CNCC1CCNC1	25
+FC(F)(F)CNCC1CN(CC1)Cc2ccccc2	15
+FC(F)(F)c1ccc(-c2c(ccc(CC(=O)OC)c2)OC)c(CN(C(=O)C)CC(F)(F)F)c1	58
+FC(F)(F)CNc1c(nc(Cl)nc1)C(N)=O	314
+FC(F)(F)CNc1ncc(Cl)cc1C(=O)O	6
+FC(F)(F)COc1ncc(C2(CCC(CC2)N3CC(C3)NC(CNC(c4cc(C(F)(F)F)ccc4)=O)=O)O)cc1	430
+FC(F)(F)COc1c(cc(F)c(OC(c2c(C)nc(-c3ccc(cc3)C(F)(F)F)s2)CC)c1)C#N	57
+FC(F)(F)COc1ncc(C(=O)O)cc1I	91
+FC(F)(F)COc1ncc(C=O)nc1	799
+FC(F)(F)COc1nc(nc(NC2CN(CC2)S(=O)(=O)C)n1)Nc3cc(c(cc3)F)Cl	2221
+FC(F)(F)COc1ncc(cc1Br)[N+](=O)[O-]	91
+FC(F)(F)COc1ncc([N+]([O-])=O)cc1Cl	91
+FC(F)(F)COc1c(cnc(C#N)c1Cl)Cl	260
+FC(F)(F)COc1c(ccc(F)c1)[N+]([O-])=O	57
+FC(F)(F)COc1c(ccc(n1)C(=O)O)Br	91
+FC(F)(F)COC(=O)c1cc(CCCC)n(Cc2ccc(cc2)-c3ccccc3-c4[nH]nnn4)n1	226
+FC(F)(F)COCCOc1c(cc(Cc2ccc(cc2)CC)c(c1)Cl)Br	1515
+FC(F)(F)COc1ccc(cc1)[N+]([O-])=O	57
+FC(F)(F)COCCOCCOCCOCCOCCOCCOCc1ccccc1	1117
+c1ccccc1CON(C=O)CC(C(C(CC(P(OCC)(OCC)=O)O)O)O)O	9234
+FC(F)(F)COCCOCCOCCOCCOCCOCCOCC(=O)O	3
+FC(F)(F)COCc1nc(nc(COS(=O)(=O)C)c1)Cl	7
+FC(F)(F)COCc1cc(CO)nc(n1)Cl	453
+FC(F)(F)COCc1cc(nc(n1)Cl)C=O	1406
+FC(F)(F)CN1CCOC(C=C2c3ccccc3CCc4ccccc24)C1	9235
+FC(F)(F)COc1ccc(cc1[N+]([O-])=O)F	9236
+FC(F)(F)COc1c(Cl)cc(cc1-c2ccc(cc2)C)C3(CCC3)C(=O)OCC	11
+FC(F)(F)COc1ncc(cc1-c2ccc(cc2)Cl)N	89
+FC(F)(F)COc1ncc(cc1C)C(C)N2C(=O)c3c(c(ncc3)Cl)C2	3047
+FC(F)(F)COc1c(cccc1CC#N)Cl	163
+FC(F)(F)COc1c(Cl)cc(cc1-c2ccc(cc2)C)C(C(O)=O)CC3CC3	3
+FC(F)(F)COc1c(Cl)cc(C(CC2CC2)C(=O)OCC)cc1-c3ccc(cc3)C	11
+FC(F)(F)COc1c(cc(cc1Cl)C2(CCC2)C(=O)O)-c3ccc(cc3)C	3
+FC(F)(F)COc1cc(ccc1F)CCN	51
+FC(F)(F)COc1c(OCCO)cccc1	44
+FC(F)(F)COc1c(OCCOS(=O)(=O)C)cccc1	7
+FC(F)(F)COc1ncc(C(=O)Nc2ccncn2)cc1C3CCCCC3	2370
+FC(F)(F)COc1c(C2CCCCC2)cc(C(NN(c3nnc(Cl)cc3)C)=O)cn1	1325
+FC(F)(F)COc1cc(c(S(=O)(=O)NC)cc1N)F	0
+FC(F)(F)COc1cc2ncnc(O)c2cc1OC	9237
+FC(F)(F)COc1c(C2CCCCC2)cc(cn1)C(Nc3cnccc3)=O	671
+FC(F)(F)COc1cc(c(cc1[N+](=O)[O-])S(=O)(=O)Cl)F	240
+FC(F)(F)COc1cc(C2(CCCC2)C(OCC)=O)ccc1N	0
+FC(F)(F)COc1nc(ccc1C2CC2)C(O)=O	2060
+FC(F)(F)COc1c(CC(O)=O)cccc1Cl	508
+FC(F)(F)COc1c(c(ncc1Cl)C(=O)N)Cl	4709
+FC(F)(F)COc1c(Cl)ccc(c1)C2=CC(=O)n3c(N2)c(-c4oc(C)cn4)cn3	1915
+FC(F)(F)COc1cc(C(=O)O)ccc1Cl	1
+FC(F)(F)COc1c(N)c(cc(C2(CCCC2)C(OCC)=O)c1)Cl	196
+FC(F)(F)COc1c(cc(c(c1)N)C(=O)OCC)OC	0
+FC(F)(F)COc1cc(n[nH]1)N	1131
+FC(F)(F)COc1c(cc(c(F)c1)S(=O)(=O)NC)[N+]([O-])=O	71
+FC(F)(F)COc1c(Br)ccc(C(O)=O)c1	1
+FC(F)(F)COc1c(ccc(C(N2CC(C2)F)=O)c1)Nc3nn4ccc(Cl)cc4n3	490
+FC(F)(F)COc1c(CC(OC)=O)ccc(c1)OCC2OC2	8
+FC(F)(F)COc1cc(ccc1CC(OC)=O)O	16
+FC(F)(F)COc1c(F)ccc(CC#N)c1	163
+FC(F)(F)COc1cc(ccc1F)CCNCC2COCC2	110
+FC(F)(F)COc1cc(C(CC2CCC2)C(=O)OC)ccc1N	0
+FC(F)(F)COc1c(C2CC2)cnc(C(NC(c3nnn[nH]3)(C)CC4CC4)=O)c1	420
+FC(F)(F)COc1c(C(=O)NCc2nc(ccc2)O)cc(O)cc1	16
+FC(F)(F)COc1ccc(cc1)N2CCNCC2	2
+FC(F)(F)COc1ccc(cc1)N2CCN(CC2)S(=O)(=O)C	112
+FC(F)(F)COc1ccc(cc1)N	0
+FC(F)(F)COc1c(cc(cc1)F)N2CCN(CC2)CCCNC(c3c(noc3C)-c4ccccc4)=O	53
+FC(F)(F)COc1c(cc(F)cc1)N	0
+FC(F)(F)COc1ccccc1O	5
+FC(F)(F)COc1cnc(C(C)NC(Cc2ccc(cc2)-c3c(C4CC4)nccn3)=O)cc1	9
+FC(F)(F)COc1cccc(CO)n1	398
+FC(F)(F)COc1cccc(CN)n1	18
+FC(F)(F)COc1nc(ccc1)CC#N	9238
+FC(F)(F)COc1nc(CN=[N+]=[N-])ccc1	4454
+FC(F)(F)COc1ncc(cc1I)C(=O)Nc2cnccc2	3052
+FC(F)(F)COc1c(cc(C(=O)O)cn1)C2CCCCC2	1
+FC(F)(F)COc1c(cc(cn1)N)Cl	13
+FC(F)(F)COc1c(cc(cn1)NC(c2cc(cnc2)C)=O)-c3ccc(cc3)Cl	3052
+FC(F)(F)COc1ncc(cc1-c2ccc(cc2)Cl)NC(=O)c3cc(nn3C)C	510
+FC(F)(F)COc1c(Br)cc(cn1)N	13
+FC(F)(F)COc1ncc(cc1C)C(C)N2Cc3c(C2=O)ccnc3C(Oc4ccccc4)=O	4710
+FC(F)(F)COc1ncc(C(OC)=O)cc1C2CCCCC2	671
+FC(F)(F)COc1cc2n(C(=O)C=C(N2Cc3ccc(Cl)nc3)C)n1	9239
+FC(F)(F)CSc1cc(O)ccc1C	956
+FC(F)(F)CSc1cc(ccc1C)OCCCCCSC#N	9240
+FC(F)(F)Cc1ccc(cc1)C2CNCC(C(OC)=O)C2	9241
+FC(F)(F)Cc1ccc(cc1)-c2cncc(C(=O)OC)c2	305
+FC(F)(F)Cc1ccc(cc1)C2CN(C(N3CCSCC3)=O)CC(C2)C(O)=O	4
+FC(F)(F)Cc1ccc(cc1)C2CC(CN(C(N3CCSCC3)=O)C2)c4nc(no4)OCCOC	9242
+FC(F)(F)Cc1ccc(cc1)C2CN(C(=O)Oc3ccc(cc3)[N+]([O-])=O)CC(C2)C(=O)OC	66
+FC(F)(F)Cc1ccc(cc1)N2CCC3(C2=O)C(CN(CC3)Cc4ccccc4)O	2007
+FC(F)(F)Cc1ccc(cc1)N2C(=O)C3(CCN(CC3O)S(=O)(=O)c4c(Cl)cccc4)CC2	92
+FC(F)(F)Cc1ccc(cc1)N2CCC3(C(CNCC3)O)C2=O	25
+FC(F)(F)Cc1cc(cc(C)c1OCc2ccccc2)I	184
+FC(F)(F)Cc1cccc(C)c1OCc2ccccc2	22
+FC(F)(F)Cc1cccc(c1O)C	5
+FC(F)(F)Cc1nnc2n1CC(c3c(F)c(ccc3)F)CCC2N	12
+c1cc(ccn1)Cn2ncnc2-c3sc4CCOc5c(ccc(c5)Br)-c4n3	9243
+FC(F)(F)Cn1c2cccc(Cl)c2c(c1)C(NCC3(O)CC(F)(F)CC(C)C3)=O	56
+FC(F)(F)Cn1nc(c(c1)-c2ccncc2)-c3ccc(cc3)O	16
+FC(F)(F)Cn1nc(c(c1)-c2ccncc2)-c3ccc(cc3)OCc4nc5c(cccc5)n4CF	20
+FC(F)(F)Cn1cc(-c2n(S(=O)(=O)C)c3c(cnc(Br)c3)c2)cn1	4711
+FC(F)(F)Oc1ccccc1-c2cc(C(=O)O)c(C)n2CC3OCCC3	1
+FC(F)(F)Oc1ccccc1-c2nc(ncn2)Nc3cc(ccc3)CS(=O)(=O)C	1582
+FC(F)(F)Oc1ccccc1-c2cccc(c2)C(C)=O	11
+FC(F)(F)Oc1ccccc1C(Cl)=NO	761
+FC(F)(F)Oc1c(cc(C(COC)=O)cc1)F	586
+FC(F)(F)Oc1c(F)cc(cc1)C(c2ncccc2F)NC(c3nc([N+](=O)[O-])c(cc3)O)=O	390
+FC(F)(F)Oc1c(F)cc(cc1)C(NC(=O)c2nc(c(OC)cc2)[N+](=O)[O-])c3ncccc3F	81
+FC(F)(F)Oc1c(F)cc(C(NC(=O)c2nc(c(cc2)O)N)c3ncccc3F)cc1	161
+FC(F)(F)Oc1c(cc(C(Nc2ccc(-c3ccccc3F)nc2)=O)cc1)N	140
+FC(F)(F)Oc1c(c(cc(C(=O)OC)c1)Cl)O	196
+FC(F)(F)Oc1cc(C(=O)N2CSc3c2cccc3)cc(Cl)c1OC	448
+FC(F)(F)Oc1c(c(C#N)cc(C(O)=O)c1)OC	1421
+FC(F)(F)Oc1c(S(=O)(=O)N)ccc(c1)C(=N)NO	181
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)CN)ccc(c1)Br	15
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)C(=O)N)ccc(Br)c1	83
+FC(F)(F)Oc1cc(cc(c1OC)Cl)C(OC)=O	297
+FC(F)(F)Oc1ccc(C(COC)=NO)cc1F	189
+FC(F)(F)Oc1c(cc(C(COC)NC(c2nc(nc(O)c2)N3CCCC3)=O)cc1)F	104
+FC(F)(F)Oc1c(cc(cc1)Cl)C2=CC(=O)N(C(C)C(=O)Nc3ccc(cc3)C(O)=O)C=C2C#N	153
+FC(F)(F)Oc1ccc(S(=O)(=O)N)cc1N	0
+FC(F)(F)Oc1c(S(=O)(=O)N)ccc(c1)C#N	180
+FC(F)(F)Oc1c(ccc(c1)C#N)C2C(=C(C)Nc3ccnc(OCC)c23)C(=O)O	9244
+FC(F)(F)Oc1c(C2C(=C(C)Nc3c2c(ncc3)OCC)C(=O)N)ccc(C#N)c1	3053
+FC(F)(F)Oc1cc(-c2ccc(s2)S(=O)(=O)n3ccc4cc(CCC(OC)=O)ccc34)ccc1	159
+FC(F)(F)Oc1cc(-c2ccc(s2)S(=O)(=O)n3ccc4cc(CCC(O)=O)ccc34)ccc1	4
+FC(F)(F)Oc1c(ccc(C#N)c1)C2c3c(ccnc3OCC)NC(=C2C(=O)OCCC#N)C	160
+FC(F)(F)Oc1cc(C#N)cc(-c2nc(no2)-c3ccc4c(c5c([nH]4)C(C(=O)O)CC5)c3)c1	3
+FC(F)(F)Oc1cc(cc(CO)c1)Cl	611
+FC(F)(F)Oc1c(OC)c(C#N)cc(c1)C(N2c3c(SC2)cccc3)=O	448
+FC(F)(F)Oc1cc(cc(Cl)c1)CC#N	1686
+FC(F)(F)Oc1cc2cc([nH]c2c(N(C)S(=O)(=O)c3cccs3)c1)C(=O)O	6
+FC(F)(F)Oc1ccc(O)c(c1)N	0
+FC(F)(F)Oc1ccc(cc1)C#CCCCO	1762
+FC(F)(F)Oc1ccc(F)c(Cc2n(c3c(N(C(=O)N(Cc4ccc(cc4)OC)C3=O)C)n2)Cc5ccc(cc5)Cl)c1	371
+FC(F)(F)Oc1cc(Cl)cc(COS(=O)(=O)C)c1	7
+FC(F)(F)Oc1cc(cc(Cl)c1OC)C(=O)O	1
+FC(F)(F)Oc1cccc(C(C)N)c1	474
+FC(F)(F)Oc1cc(N2CCC(N(CC2)C(CO)CCN3CC(O)C4(CC4)CC3)=O)ccc1	95
+FC(F)(F)Oc1cccc(c1)SC2CCOC(c3ccc(cc3)Cl)C2	2254
+FC(F)(F)Oc1cc(ccc1)S(=O)(=O)Nc2ccc(OC)c(C3CCN(CCC)C3)c2	15
+FC(F)(F)Oc1c(ccc(Br)c1)S(=O)(=O)N	336
+FC(F)(F)Oc1cc2ccc(nc2cc1)O	2900
+FC(F)(F)Oc1cc2cc([nH]c2c(N)c1)C(OCC)=O	13
+FC(F)(F)Oc1cc2c(c(N(C)S(=O)(=O)c3cccs3)c1)[nH]c(C(=O)N)c2	247
+FC(F)(F)Oc1cc(NS(=O)(=O)c2cccs2)c3c(c1)cc(C(=O)OCC)[nH]3	2412
+FC(F)(F)Oc1c(N)cc(cc1)C(Nc2cnc(Cl)cc2)=O	487
+FC(F)(F)Oc1ccc(C2CC(c3onc(OCC)n3)CN(C(=O)Oc4ccc(cc4)[N+](=O)[O-])C2)cc1F	66
+FC(F)(F)Oc1ccc(F)c(c1)Cc2n(Cc3ccc(cc3)Cl)c4c(n2)N(C)C(=O)NC4=O	9245
+FC(F)(F)Oc1cc(c(F)cc1)Cc2[nH]c3c(n2)C(=O)N(C(=O)N3C)Cc4ccc(cc4)OC	9246
+FC(F)(F)Oc1c(cc(N)cc1)NC(=O)CN2CCOCC2	0
+FC(F)(F)Oc1ccc(cc1)-c2nc(C(O)=O)c(C)[nH]2	6
+FC(F)(F)Oc1ccc(cc1)-c2cc(CCO)n(C)n2	21
+FC(F)(F)Oc1ccc(cc1)-c2cc(CNC(C(=C)N(C)S(=O)(=O)c3ccc(cc3)Cl)=O)ccn2	4712
+FC(F)(F)Oc1ccc(cc1)-c2cc(COc3ccc4c(ccn4CC(OCC)=O)c3)n(C)n2	20
+FC(F)(F)Oc1ccc(cc1)-c2cc(COc3cc4c(cc3)n(cc4)CC(=O)O)n(C)n2	3
+FC(F)(F)Oc1ccc(cc1)-c2cc(CO)n(C)n2	194
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C3CCCCC3)n2)Cc4ccc(cc4)C(=O)Nc5[nH]nnn5	4713
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C)n2)CCCO	44
+FC(F)(F)Oc1ccc(cc1)-c2cc(CC#N)n(C)n2	9247
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(c(cc3c2)CO)Cc4ccccc4	194
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(Cc4ccc(cc4)C)c(cc3c2)CO	194
+FC(F)(F)Oc1ccc(cc1)-c2cc3n(C)cc(C(=O)C(O)=O)c3cc2	4714
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(Cc4ccc(cc4)C)c(cc3c2)COC(C)=O	204
+FC(F)(F)Oc1ccc(cc1)-c2ccc3c(cc(COC(C)=O)n3Cc4ccccc4)c2	204
+FC(F)(F)Oc1ccc(cc1)-c2cnc(nc2)-c3ccc(cc3)C=O	345
+FC(F)(F)Oc1ccc(cc1)-c2cnc(nc2)Nc3cc(c(cc3)C)N	0
+FC(F)(F)Oc1ccc(cc1)-c2cc(CN)ccn2	107
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3cccc(OC(C)(C)C(O)=O)c3)c2	3
+FC(F)(F)Oc1ccc(cc1)-c2nn(c(c2)CCOc3cc4n(ccc4cc3)CC(O)=O)C	3
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)CO	4715
+FC(F)(F)Oc1ccc(cc1)-n2nc(nc2)-c3ccc(cc3)CCCN	45
+FC(F)(F)Oc1ccc(cc1)-n2ncc3c2ccc4c3ccc(c4)C=O	674
+FC(F)(F)Oc1ccc(cc1)-c2nccc(C#N)c2	140
+FC(F)(F)Oc1ccc(cc1)-c2ccc(nc2)N3CCN(C(OCC(=O)NC)=O)CCC3	89
+FC(F)(F)Oc1ccc(cc1)C=2C=CC=3N(C=2)C(=O)NN=3	2243
+FC(F)(F)Oc1ccc(cc1)-c2ccc3cc[nH]c3c2	495
+FC(F)(F)Oc1ccc(cc1)-c2cc3ccn(Cc4ccccc4)c3cc2	11
+FC(F)(F)Oc1ccc(cc1)-c2ccc(cc2)OC(CCCCCC)c3ccc(cc3)C(=O)NCCC(=O)OC	11
+FC(F)(F)Oc1ccc(cc1)-c2cc3cc(C(OCC)=O)n(Cc4ccc(cc4)C)c3cc2	11
+FC(F)(F)Oc1ccc(cc1)-c2cc3c(cc2)n(Cc4ccccc4)c(C(OCC)=O)c3	11
+FC(F)(F)Oc1ccc(cc1)-c2cnc(nc2)Cl	4172
+FC(F)(F)Oc1ccc(cc1)-c2cnc(nc2)Nc3cc([N+]([O-])=O)c(cc3)C	537
+FC(F)(F)Oc1ccc(cc1C(=O)O)Br	634
+FC(F)(F)Oc1ccc(cc1)C#CCC2(CCC2)CO	44
+FC(F)(F)Oc1ccc(cc1)C#CCC2(CCC2)COS(=O)(=O)C	7
+FC(F)(F)Oc1ccc(cc1)C#CCC2(CCC2)CI	572
+FC(F)(F)Oc1ccc(cc1)C#CCCCOS(=O)(=O)C	7
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc3ccn(c3cc2)CC(OCC)=O	126
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc3c(ccn3C(C(OCC)=O)C)cc2	262
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2c3c(ccn3CC(O)=O)ccc2	3
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2ccc3ccn(C(C)C(=O)O)c3c2	3
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc3ccn(c3cc2)CC(=O)O	3
+FC(F)(F)Oc1ccc(cc1)C(=NO)COC	189
+FC(F)(F)Oc1ccc(cc1)C(COC)=O	155
+FC(F)(F)Oc1ccc(cc1)C(=O)NC(C#N)(Cn2ncc3cc(ccc23)[N+]([O-])=O)C	93
+FC(F)(F)Oc1ccc(cc1)C(c2c(ccc(Br)c2)Cl)O	488
+FC(F)(F)Oc1ccc(cc1)Cc2cc(ccc2Cl)Br	452
+FC(F)(F)Oc1ccc(cc1)C2(CC2)N3CCC(CC3)ON4C(=O)c5ccccc5C4=O	9248
+FC(F)(F)Oc1ccc(cc1)C2(CC2)N3CCC(CC3)ONC(=O)Nc4ccc(cc4)F	9249
+FC(F)(F)Oc1ccc(cc1)C2(CC2)N3CCC(CC3)ON	670
+FC(F)(F)Oc1ccc(cc1)C2=CN3C(=NN(CCc4c(F)cccc4F)C3=O)C=C2	9250
+FC(F)(F)Oc1ccc(cc1)CC(C#N)C#N	9251
+FC(F)(F)Oc1ccc(cc1)C=Cc2occ(CO)n2	9252
+FC(F)(F)Oc1ccc(cc1)CN2C(CC(C)C2=O)c3ccccc3-c4ccccc4	1737
+FC(F)(F)Oc1ccc(cc1)C2N(c3nnc(cc3)C)C(C(=C2C(=O)c4ccc(cc4)N(C)C)O)=O	4716
+FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(Oc3c(ncc(C(=O)O)c3)N)C2)=O	1
+FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(Oc3cc(cnc3N)C(NC)=O)C2)=O	56
+FC(F)(F)Oc1ccc(cc1)CC2CC(C(O)=O)CCN2C(OC)=O	4
+FC(F)(F)Oc1ccc(cc1)CCNc2cc(Cl)nc(OC)n2	40
+FC(F)(F)Oc1ccc(cc1)CNC(C)=O	9
+FC(F)(F)Oc1ccc(cc1)-c2[nH]c(c(n2)C(=O)OCC)C	4152
+FC(F)(F)Oc1ccc(cc1)CN(CCCN2Cc3c(ccc(CC(=O)OC)c3)CC2)c4ncc(cn4)CC	61
+FC(F)(F)Oc1ccc(cc1)CN(CCCN2Cc3cc(ccc3CC2)CC(=O)O)c4ncc(cn4)CC	4
+FC(F)(F)Oc1ccc(cc1)CN(CCC=O)c2ncc(cn2)CC	24
+FC(F)(F)Oc1ccc(cc1)CNCC	15
+FC(F)(F)Oc1ccc(cc1)CN(CCCO)c2ncc(cn2)CC	117
+FC(F)(F)Oc1ccc(cc1)COc2nc3c(cc2)cc(cc3)O	805
+FC(F)(F)Oc1ccc(cc1)Cc2cc(C3(OC(CO)C(C(O)C3O)O)OC)ccc2Cl	353
+FC(F)(F)Oc1ccc(cc1)CC2NCCC(C(OC)=O)C2	3861
+FC(F)(F)Oc1ccc(cc1)-n2cnc(n2)Br	4717
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc(c(nc2)Cl)Br	246
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc([N+]([O-])=O)c(cc2Cl)F	50
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc(Br)c(cc2)F	67
+FC(F)(F)Oc1ccc(cc1)NC(=O)C2(CCN(CC2)S(=O)(=O)c3ccc(cc3)C)F	33
+FC(F)(F)Oc1ccc(cc1)NC2=C(c3ccccc3)S(=O)(=O)N(CCCC)C2=O	9253
+FC(F)(F)Oc1ccc(cc1)N2C(=O)C3(CCNCC3)CC2	25
+FC(F)(F)Oc1ccc(cc1)N2C(C3(CCN(CC3)S(=O)(=O)c4cnccc4)CC2)=O	1027
+FC(F)(F)Oc1ccc(cc1)N2CCC3(CCN(CC3)c4c(ccc(C)c4)OC)C2=O	79
+FC(F)(F)Oc1ccc(cc1)N2CCC3(CCN(CC3)c4nc(OCc5ccccc5)ccc4)C2=O	361
+FC(F)(F)Oc1ccc(cc1)N2C(=O)N(C(C)(C)C2=O)Cc3c4cc(O)ccc4ncc3	5
+FC(F)(F)Oc1ccc(cc1)N2CCC3(CCN(CC3)c4cc(ccc4O)C)C2=O	5
+FC(F)(F)Oc1ccc(cc1)N2CCC3(CCN(CC3)c4nc(O)ccc4)C2=O	700
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc(c(NCC(C)(C)O)cc2N3CCOCC3)N	0
+FC(F)(F)Oc1ccc(cc1)NC(CC)C(=O)N2c3ncccc3NC(=O)C2	4718
+FC(F)(F)Oc1ccc(cc1)NC(CC)C(=O)O	4
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)C(CN3CCNCC3)=O)=O	25
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCNCC2)=O	2
+FC(F)(F)Oc1ccc(cc1)NC(c2ccc(N3CC(O)CC3)c(c2)-c4cncnc4)=O	4719
+FC(F)(F)Oc1ccc(cc1)NCC(NC(C(CC2CCCCC2)NC(OCc3ccccc3)=O)=O)C	9
+FC(F)(F)Oc1ccc(cc1)NCC(C)N	102
+FC(F)(F)Oc1ccc(cc1)NCC(C)NC(C(CC2CCCCC2)NS(=O)(=O)c3cccc(c3)Cl)=O	1946
+FC(F)(F)Oc1ccc(cc1)NCC(NC(=O)C(N)CC2CCCCC2)C	334
+FC(F)(F)Oc1ccc(cc1)Nc2cc(N3CCCC3)cc(n2)-c4ccccc4	140
+FC(F)(F)Oc1ccc(cc1)Nc2nc(nc(n2)N3CCOCC3)NN	4720
+FC(F)(F)Oc1ccc(cc1)Oc2cc(C(F)(F)F)ccc2C(=O)Nc3ccnc(O)c3	46
+FC(F)(F)Oc1ccc(cc1)OC(CC)C(OCC)=O	289
+FC(F)(F)Oc1cc([N+]([O-])=O)c(cc1)O	31
+FC(F)(F)Oc1ccc(cc1)Oc2ccc(cc2C(Nc3cc(O)ncc3)=O)F	46
+FC(F)(F)Oc1ccc(cc1)OC(CC)C(=O)N2CC(Nc3ccc(C)nc23)=O	4718
+FC(F)(F)Oc1ccc(cc1)OC(CC)C(O)=O	3
+FC(F)(F)Oc1ccc(cc1)OC2CCN(CC2)CCOCC(=O)NC3COc4nc([N+](=O)[O-])cn4C3	467
+FC(F)(F)Oc1ccc(cc1)OCC(=O)O	32
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCC(O)CN2c3ccccc3CCc4c2cccc4	71
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCC(CC2c3ccccc3CCc4sccc24)O	71
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C3C4C(CN(C(=O)CC)C4)C3	69
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N2CCC(CC2)=NO	350
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCC(=O)CN2c3c(cccc3)CCc4c2cccc4	86
+FC(F)(F)Oc1c(-c2cc3c(C(C)(C)CC=C3C(C)C)cc2C)cc(cc1)C=C4C(=O)NC(=O)S4	377
+FC(F)(F)Oc1ccc(C2CC(c3onc(n3)OCC)CNC2)cc1F	2
+FC(F)(F)Oc1ccc(cc1NC(Nc2c3n(cnc3ccc2)C)=S)S(=O)(=O)N	4721
+FC(F)(F)Oc1ccc(cc1NC(=O)CN2CCOCC2)NC(=O)c3cnc(-c4cc(F)cc(F)c4)cc3	140
+FC(F)(F)Oc1ccc(N)cc1S(=O)(=O)C	0
+FC(F)(F)Oc1cc2c([n+](ccc2)[O-])cc1	9254
+FC(F)(F)Oc1ccc2nc(Nc3nc4cc(C(=O)O)ccc4n3C)sc2c1	1
+FC(F)(F)Oc1ccc2nc(sc2c1)Nc3nc4c(ccc(c4)C(=O)NCC(OC)=O)n3C	259
+FC(F)(F)Oc1ccc2nc(sc2c1)Nc3nc4cc(ccc4n3C)C(NCC(O)=O)=O	4
+FC(F)(F)Oc1ccc2nc(sc2c1)Nc3nc4c(n3C)ccc(C(NCC(NC)=O)=O)c4	9
+FC(F)(F)Oc1cc(-c2ccc(S(=O)(=O)n3ccc4cc(ccc34)C=CC(=O)OC)s2)ccc1	268
+FC(F)(F)Oc1cccc(-c2cc(nn2-c3ccccc3)N)c1	1196
+c1cc(ccc1)C(c2ccccc2)CN(Cc3cc(ccc3)OC(F)(F)F)CCCOc4cc(CC(=O)OC)ccc4	131
+FC(F)(F)Oc1cc(Cc2[nH]c3N(C)C(=O)N(Cc4ccc(cc4)OC)C(=O)c3n2)ccc1	4722
+FC(F)(F)Oc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(N)s3)cc2)c1	3054
+FC(F)(F)Oc1cccc(CC(=O)Nc2nnc(CCCCC#N)cc2)c1	4723
+FC(F)(F)Oc1cccc(CC(=O)NC2=C(N(C)C(=O)N(C2=O)Cc3ccc(cc3)OC)N)c1	2428
+FC(F)(F)Oc1cccc(CC(Nc2ccc(nn2)Cl)=O)c1	142
+FC(F)(F)Oc1cccc(c1)C(NN)=O	1094
+FC(F)(F)Oc1cccc(c1)-c2nnc3ccc(nn23)C(O)=O	1968
+FC(F)(F)Oc1cccc(c1)Oc2ccc(Nc3c4c(ncn3)ccn4CCNC(CS(=O)(=O)C)=O)cc2C	9
+FC(F)(F)Oc1ccccc1-c2noc(c2COC)C3CC3	1043
+FC(F)(F)Oc1ccccc1-c2noc(C3CC3)c2CO	88
+FC(F)(F)Oc1ccccc1C(N)=NO	253
+FC(F)(F)Oc1c(-c2cc(c(C)n2CC3CCCO3)C(=O)OC)cccc1	9255
+FC(F)(F)Oc1c(cccc1)C(Nc2sc(C(=O)NCc3ccccc3)c(n2)C)=O	548
+FC(F)(F)Oc1c(cccc1)-c2noc(-c3ccc(-c4c(cccc4)OC)c(C)c3)n2	910
+FC(F)(F)Oc1c(cccc1)-c2nc(-c3ccc(c(C)c3)-c4c(csc4)C)on2	910
+FC(F)(F)Oc1c(C=NO)cccc1	135
+FC(F)(F)Oc1ccccc1CN2C(=O)C(C)CC2c3c(cccc3OC)OC	1737
+FC(F)(F)Oc1c(Cn2cc(nc2)-c3nccc(C#N)c3)cccc1	371
+FC(F)(F)Oc1ccc(cc1S(=O)(=O)C)[N+]([O-])=O	31
+FC(F)(F)S(=O)(=O)Oc1c(c(c(cc1)C#N)F)F	376
+FC(F)(F)S(=O)(=O)Oc1cc(c(CC(=O)OCC)cc1Cl)C	376
+FC(F)(F)S(=O)(=O)Oc1ccc2ccc(Oc3c4cc(c(cc4ncc3)OC)OC)cc2c1	376
+FC(F)(F)S(=O)(=O)Oc1c(C(OCC)=O)oc2c1cncc2	9256
+FC(F)(F)S(=O)(=O)Oc1cc2n(C)cnc2cc1	376
+FC(F)(F)S(=O)(=O)Oc1c(OC)cc(-c2oc3c(cccc3)n2)cc1	376
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2cnccc2NC(OC(C)c3c(cccc3)Cl)=O	376
+FC(F)(F)S(=O)(=O)Oc1cc2c(oc(c2C(NC)=O)-c3ccc(cc3)F)cc1CC(OC)=O	376
+FC(F)(F)S(=O)(=O)Oc1c2-c3c(C(c2ccc1)=O)c(nc(n3)N)-c4ccc(cc4)F	376
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2nc(c3cccc(C#N)c3c2)O	376
+FC(F)(F)S(=O)(=O)Oc1ccc(c2nc(c(Cc3ccc(cc3)Cl)c(c12)C)C)Cl	376
+FC(F)(F)S(=O)(=O)Oc1c(Cl)c(c(Cc2ccc(cc2)OC)cc1C(OC)=O)C	376
+FC(F)(F)S(=O)(=O)Oc1ccc2CCC(C(c2c1)Cc3ccc(c(Cl)c3)Cl)NC(=O)OCC	376
+FC(F)(F)S(=O)(=O)Oc1c2-c3nc(nc(-c4ccccc4)c3C(=O)c2ccc1)N	376
+FC(F)(F)S(=O)(=O)Oc1ccc(c(c1)F)N2C=C(C(C(=N2)c3n(-c4ccccc4)ncc3)=O)OC	376
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2c(oc3c2cccc3)Cc4ccccc4	376
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1C)nccc2	376
+FC(F)(F)S(=O)(=O)Oc1cc(c2scnc2c1)OC(C)C3CC(=O)NC3	376
+FC(F)(F)S(=O)(=O)Nc1c(C(=NOc2ccc(cc2)Cl)CC)cc(Cl)cc1	189
+FC(F)(F)S(=O)(=O)Nc1c([N+]([O-])=O)ccc(Oc2ccc(nn2)Cl)c1	31
+FC(F)(F)S(=O)(=O)Oc1ccc2C=CN(c3cc(ccc3C)C(=O)OC)C(=O)c2c1	9257
+c1ccccc1C#CC=2C=CN(Cc3cccc(F)c3)C(=O)C=2Br	9258
+c1ccccc1COc2cc3C(=C(C(=O)OC)N(CC(C)C)C(=O)c3cc2)c4ccccc4F	9259
+CCOC(=O)C=1CCCC=1c2c(cccc2)F	4724
+CC1(C)C=C(CC1(C)C)c2ccccc2[N+](=O)[O-]	2144
+c1cc(ccc1C2=CCC3(OCCO3)CC2)OC	2144
+c1cc(ccc1)C#CC2=NN(C(C=C2)=O)C(C)C	9260
+c1cc(ccc1F)CC=2C=C(N(C(=O)C=2[N+](=O)[O-])CC(OC)=O)C	9261
+c1c(C#N)cc(cc1)C2=C(C(=O)OC)CCC2	4724
+c1ccccc1C=CCN2CCC(CC2)NC3=CC(Oc4c3cc(Br)cc4)=O	9262
+c1(cc(F)ccc1)C2=CC(Oc3cc(C)ccc23)=O	9263
+c1(cc(cc(F)c1C2N(C(C)(C)Cc3c4ccccc4[nH]c23)CC(CF)C)C=CC(=O)OC)F	1645
+FC(F)(F)CN1CCCC(c2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2)C1	2532
+FC(F)(F)Cn1ncc(I)c1	9264
+FC(F)(F)COc1cnc2c(ccnc2c1)Cl	4655
+FC(F)(F)COc1ccc(cc1C(=O)OCC)OCc2ccccc2	9265
+C1CC(CCN1CC(F)F)Oc2c3c4c(n(S(=O)(=O)c5ccccc5)c3cnc2C#N)ncc(c4)Br	1645
+FC(F)(F)S(=O)(=O)Oc1cc(C2CCCN(C2)CC3Oc4c(cccc4)OC3)ccc1	166
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1Cl)CC(OC)=O	166
+FC(F)(F)S(=O)(=O)Oc1cc(Cl)c(c(Cl)c1)CC2CCN(C2=O)C3CCCCC3	166
+FC(F)(F)S(=O)(=O)Oc1cc(CC(=O)OC)cc(OC)c1	166
+FC(F)(F)S(=O)(=O)Oc1c(F)cccc1[N+](=O)[O-]	166
+FC(F)(F)S(=O)(=O)Oc1c(cc(c2cccnc12)Cl)C(=O)C	4599
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1C=O)-c2cccc(C#N)c2	166
+FC(F)(F)S(=O)(=O)Oc1c(ccc(F)c1)[N+]([O-])=O	166
+FC(F)(F)S(=O)(=O)OC1=C(Br)C(N(C=C1)Cc2cccc(F)c2)=O	9266
+FC(F)(F)S(=O)(=O)Oc1c2c(OC)nccc2n(-c3c(cccc3F)F)n1	9267
+FC(F)(F)S(=O)(=O)Nc1cc(OCc2nc3ccccc3cn2)ccc1	1422
+FC(F)(F)S(=O)(=O)Oc1c2c(cc(C#N)c(c2)F)ccc1	166
+FC(F)(F)S(=O)(=O)Oc1cc2ccc(cc2cn1)F	1062
+FC(F)(F)S(=O)(=O)Oc1c(c2c(cc1)cc(cc2)C=C)[N+]([O-])=O	166
+FC(F)(F)S(=O)(=O)Oc1c2cc(ccc2cc(c1C)CC(=O)OC)F	166
+FC(F)(F)S(=O)(=O)Nc1cc(c(C)cc1C)N2C(CC2)=O	1422
+FC(F)(F)S(=O)(=O)Oc1nc(ccc1F)F	1062
+FC(F)(F)S(=O)(=O)Nc1cccc(c1)Oc2nnc(Cl)cc2	1422
+FC(F)(F)S(=O)(=O)Oc1cc(C=O)c(cc1)-c2ccc(OC)c(c2)Cl	166
+FC(F)(F)S(=O)(=O)Oc1c(C=O)c(F)ccc1OCC	166
+FC(F)(F)S(=O)(=O)OC=1c2c(OC(=O)C=1)ccc(Br)c2	9268
+FC(F)(F)S(=O)(=O)Oc1cc2c(Br)ccc(F)c2cn1	1062
+FC(F)(F)S(=O)(=O)Oc1ncc2c(cccc2)c1F	1062
+FC(F)(F)S(=O)(=O)Oc1ccc2c(c1)cccc2C(=O)OCC	166
+FC(F)(F)S(=O)(=O)Oc1cc2cnc(cc2cc1)C(OC)=O	166
+FC(F)(F)S(=O)(=O)Oc1cc2c([nH]c3ncc(cc23)F)cn1	1062
+FC(F)(F)S(=O)(=O)Oc1cc2c(cn1)[nH]c3ncc(OC)cc23	1062
+FC(F)(F)S(=O)(=O)Oc1nc2cc(ccc2cc1)F	1062
+FC(F)(F)S(=O)(=O)Oc1ccc2ncccc2c1	166
+FC(F)(F)S(=O)(=O)Oc1c(cc(CC(OC)=O)cc1)F	166
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2ccc(cc2)C#N	166
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)c(-c3ccc(cc3)Cl)ns2	166
+FC(F)(F)S(=O)(=O)Oc1ccc2c(c1)ccn2-c3ccc(cc3)F	166
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)C2CCC(CC2)CC(=O)OCC	166
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O	166
+FC(F)(F)S(=O)(=O)Oc1ncc2c3ccccc3c4ccccc4c2c1	1062
+FC(F)(F)S(=O)(=O)Oc1c(ccc(c1)OCc2ccccc2)C=O	166
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1)-n2c3ncc(cc3nc2)-c4cocc4	166
+FC(F)(F)S(=O)(=O)Oc1cc2ncccc2cc1	166
+FC(F)(F)S(=O)(=O)Oc1cccc2oc(C(OCC)=O)c(C)c12	166
+CC(C)(C)[Si](C)(C)OC1CCN(C1)c2ncc(cc2)N3C(=O)C=C(C=C3)OCc4ccccc4	655
+CC(C)(C)[Si](C)(C)OC(c1ccc(cc1)C#N)CN2CC(C(OCC)=O)CCC2	655
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(CC(OCc3ccccc3)CC2)F	655
+CC(C)(C)[Si](C)(C)OC1c2c3c(cc(cc3)OCc4ccccc4)ncc2CCC1	655
+c1cc(ccc1OC)-c2c(C(OC)=O)cc(Cc3c(C)c(OC)c(OC)c(c3OC)OC)cc2	368
+c1cc(ccc1-c2c3c(cc(CC(=O)OC)c2C)ccc(c3)Cl)[N+](=O)[O-]	368
+O=S(=O)(n1c2ccc(c(Cl)c2cc1C(F)F)C#N)c3ccccc3	763
+c1c2c(nc(-c3ccc(-c4cccnc4)c(OC)c3)o2)ccc1	4725
+c1cc(ccc1OCCN2CCCCC2)Oc3c4c(cc(OC)cc4)ccc3-c5c(F)c(F)ccc5	368
+FC(F)(F)Sc1ccc(cc1)Nc2ccc3cc(ccc3c2[N+](=O)[O-])C=C	9269
+c1(C)cccc(Sc2ccc(C)cc2[N+]([O-])=O)c1	2255
+c1(ccc(cc1[N+]([O-])=O)C)Sc2cccc(N)c2	2255
+c1cc(ccc1Sc2ccc(cc2[N+]([O-])=O)C)O	2255
+c1cc(ccc1NC(=O)C)Sc2ccc(cc2[N+]([O-])=O)C	2255
+c1(c(cc(Cl)c(C)c1[N+]([O-])=O)C(=O)C)-c2cc(F)ccc2	368
+c1ccccc1COc2c(ccc(-c3c(-c4c(C)cccc4)ccc(C(=O)OC)n3)c2)Cl	9270
+c1cc(ccc1-c2nc(N)nc3-c4c(cccc4C(=O)c23)-c5cc(F)ccc5)F	368
+c1cc(ccc1S(=O)(=O)OCC2Oc3c(CC2)cccc3-c4cc(ccc4Cl)Cl)C	368
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C)c(c(c3)C)-c4c(C)cncc4C	9271
+N1(CC(c2cc(ccc2)N)CCC1)CC3COc4c(cccc4)O3	9272
+c1c(Cl)c(c(cc1-c2ccc(cc2)O)Cl)CC3CCN(C3=O)C4CCCCC4	368
+c1cc(ccc1-c2c(C)nc(c(C(N)=O)n2)C)-c3c(Cl)cc(CC(=O)OCC)c(C)c3	368
+CC(C)n1ncc2c(C(=O)OCC)cc(-c3cccc(CO)c3)nc12	4726
+FC(F)(F)S(=O)(=O)Oc1ccc2C(CCCc2c1)O	74
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(N)c2cc1	18
+O=C(OCC)Cc1c2cc(C#N)ccc2ccc1Cl	763
+c1c2c(cc(C#N)cc2)cc(OC)c1	763
+c1(n2c(nn1)ccc(-c3cnn(C)c3)n2)Sc4cc5c(nccc5)cc4C	4583
+C(Cc1c2c(ccc1Cl)cc(C#N)cc2)(OCC)=O	763
+c1ccccc1CN2C3(CC3)CN(c4cc(CC(=O)OCC)c5ccccc5c4)CC2	908
+c1cc(ccc1[N+]([O-])=O)-c2cc(C)c(C(=O)C)cc2	368
+c1(C=O)cc(Cl)c(cc1)-c2cc(ccc2)C#N	368
+c1ccccc1Cc2c(OC)ccc(-c3ccc(CCC#N)cc3CC(C)C)c2	368
+C(OC)CCOc1cc(CCC(OCC)=O)ccc1-c2cnccc2	4725
+c1cc(ccc1-c2c(cc(CCC(OCC)=O)cc2)OCCCOC)C=O	368
+FC1(F)CCN(c2cc(c(N3C=C(C(C(c4n(-c5ccccc5)ncc4)=N3)=O)OC)cc2)F)C1	908
+c1cc(ccc1-c2ccc(cc2)-c3c4c(cccc4)oc3Cc5ccccc5)C=O	368
+c1cc(ccc1-c2ccc(cc2)C#N)N3C4C(CN(C(OCc5ccccc5)=O)C4)CC3	908
+c1cc(ccc1-c2ccc(cc2)-c3c(ccnc3)NC(=O)OC(C)c4c(cccc4)Cl)C5(CC5)C(O)=O	368
+c1cc(ccc1N2CCCN(CC2)c3oc(C)nn3)-c4cc5c(cccc5C#N)c(O)n4	908
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)C(=O)O	9273
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)N	0
+c1cc(C#N)c(Cl)cc1CC(OC)=O	763
+c1cc(ccc1)C#Cc2c(cc(cc2)[N+](=O)[O-])NC(=O)CCC	9274
+C(OCC)(Cc1cc(OC)c(cc1)C#N)=O	763
+FC(F)(F)S(=O)(=O)Oc1ccc(C=C(C(O)=O)OC)cc1OCCCC	127
+C1CC(c2ccc(C#N)c(c12)Br)=O	763
+c12CCC(CC(OC)=O)c1ccc(C#N)c2C	763
+FC(F)(F)S(=O)(=O)Oc1cc2c(C(CCC2)N=[N+]=[N-])cc1	841
+C(NC1C(Cc2cc(c(cc2)Cl)Cl)c3cc(ccc3CC1)C#N)(OCC)=O	763
+CC1(C)C(N(c2cc(ccc2N(CC)C1=O)C#N)C)=O	763
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(o2)ccc(-c4cccc(C#N)c4)c3	368
+c1cc(ccc1F)-c2c(c3c(ccc(c3)-c4cc(ccc4)C(O)=O)o2)C(NC)=O	368
+c1c2CC(C(OC)=O)CCc2ccc1C#N	763
+c1cc(ccc1O)-c2cc3cccc(c3cc2)C(OCC)=O	368
+c1cc(ccc1OC)-c2ccc3c(ccc(c3)OC)c2CC=C	368
+C1CN(CCC1)CCOc2ccc(cc2)C(c3c4c(cc(OS(=O)(=O)C)cc4)ccc3-c5ccc(cc5SC)F)=O	368
+Nc1cc2cc(Oc3ccnc4c3cc(c(OC)c4)OC)ccc2cc1	9275
+c1(c(F)ccc(F)n1)-c2cc(ncc2Cl)F	9276
+c1ccccc1-c2cc3c(c4ccccc4c5ccccc35)cn2	4726
+FC(F)(F)S(c1cc(c(O)cc1)NC(=O)c2c(S(=O)(=O)CC)cccn2)=O	772
+FC(F)(F)S(=O)c1ccc(c(N)c1)O	0
+FC(F)(F)S(=O)c1ccc(c(c1)[N+](=O)[O-])O	31
+FC(F)(F)Sc1c(cccc1)C#Cc2ccccc2	129
+FC(F)(F)Sc1c(I)cccc1	158
+FC(F)(F)Sc1cc(cc(Br)c1)C(C)(C)C	480
+FC(F)(F)Sc1cc2c(n(cn2)C)nc1	3713
+CC(C)(C)c1cc(cc(c1)C#N)SC(F)(F)F	180
+FC(F)(F)Sc1ccc(nc1)NC	70
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(Cc3ccnc(n3)N)C2=O	1408
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(Cc3nc(NC(=O)Oc4ccccc4)ncc3)C2=O	4331
+FC(F)(F)Sc1ccc(cc1)N2C(=O)N(C(C)(C)C2=O)Cc3ccnc(c3)N	1670
+FC(F)(F)Sc1ccc(cc1)N2C(N(C(C)(C)C2=O)Cc3cc(NC(C)=O)ncc3)=O	1153
+FC(F)(F)Sc1ccc(cc1)Nc2ccc3c(ccc(c3)C=C)c2N	0
+FC(F)(F)Sc1cc(c(NC)nc1)N	3982
+FC(F)(F)C(O)c1ccc(Cl)c2nc3N(CCCn3c12)c4ccc(cc4C)C#N	4658
+FC(F)(F)C(O)c1ccccc1-n2cncc2	714
+FC(F)(F)C(CC1(C)c2cc(SC)ccc2OCC1)O	1634
+FC(F)(F)C(c1cc(C)c(c(c1)C)C#N)(O)C(c2ccc(OC)cc2Cl)C	1379
+FC(F)(F)C(CC1CCc2ccccc2O1)O	1634
+FC(F)(F)C(c1cc2c(cc1F)OCC(N2C)=O)(C(C)c3ccc(Br)cc3Cl)O	1379
+FC(F)(F)C(c1ccc2c(N(C)C(=O)CO2)c1)(O)C(c3c(cc(cc3)Br)Cl)C	1379
+FC(F)(F)C(O)c1ccc(cc1)-c2ccncc2	714
+FC(F)(F)C(C)(c1ccc(cc1)C#N)O	1379
+FC(F)(F)C(CN1C(=O)N(CC(OC)=O)N=C1c2ccc(cc2)Cl)O	1634
+FC(F)(F)C(O)c1ccc(cc1)[N+]([O-])=O	714
+FC(F)(F)C(c1ccc(Br)cc1-c2ccccc2)O	714
+FC(F)(F)C(c1c(cc(cc1)S(=O)(=O)C)-c2ccccc2)O	714
+FC(F)(F)C(C(C)(C)C(c1ccccc1)c2ccc3c(cnn3-c4ccc(cc4)F)c2)O	1634
+FC(F)(F)c1ccc(CN2C(=O)N3C=CC(c4ccc(cc4)Cl)=C(c5ccncc5)C3=N2)c(COC(C)=O)n1	174
+FC(F)(F)c1[nH]c2c(cccc2OCCN3CCN(CC3)c4cccc(N=[N+]=[N-])c4[N+]([O-])=O)n1	34
+FC(F)(F)c1cc2c([nH]1)ncc(CN)c2	388
+FC(F)(F)c1[nH]c2c(cc(CNC(=O)c3cnc(nc3)-c4cc(ccc4)OCC)cc2)c1	484
+FC(F)(F)c1[nH]c2c(c1)cc(CN)cc2	107
+FC(F)(F)c1[nH]c2ccc(Nc3nn4c(-c5ccc(cc5)S(=O)(=O)C)ccc4cn3)cc2n1	9277
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(O)=O)c1	3
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(=O)Nc4[nH]nnn4)c1	2004
+FC(F)(F)c1n(nc(C(=O)OCC)c1)Cc2c(ccc(Br)c2)OCc3ccccc3	309
+FC(F)(F)c1ccn(-c2ncc(cc2)C)n1	3889
+FC(F)(F)c1ccn(-c2cc(c3ccc(OC)c(Cl)c3n2)OCc4ccc(cc4)OC)n1	4348
+FC(F)(F)c1[nH]ncc1CO	536
+FC(F)(F)c1nn(cc1C(OCC)=O)-c2ccccc2	568
+FC(F)(F)c1nn(cc1C(OCC)=O)Cc2ccc(cc2)OC	309
+FC(F)(F)c1n[nH]cc1C=O	576
+FC(F)(F)c1c(-c2nc3cc(ccc3[nH]2)C(O)=O)c(Cl)ccc1	1
+FC(F)(F)c1cccc(c1-c2[nH]c3cc(C(=O)Nc4nc5c(cc4)cccc5)ccc3n2)Cl	330
+FC(F)(F)c1c(-c2c(c(cn2C)C(=O)O)C)cccc1	1
+FC(F)(F)c1c(cccc1)-c2nc3c(C)cccc3cc2CNCc4ccc(cc4)OC	249
+FC(F)(F)c1c(cccc1)-c2n(C)cc(C(Nc3ccc(cc3)S(=O)(=O)C)=O)c2C	246
+FC(F)(F)c1c(cccc1)-c2cccc3c2CC(CN)O3	18
+CC(C)(C)c1c(Cl)c(-c2[nH]c3cc(nc(OC)c3n2)-c4ccccc4C(F)(F)F)n(n1)C	4276
+FC(F)(F)c1cccnc1-c2cc([N+](=O)[O-])c(cc2)Br	31
+FC(F)(F)c1c(nccc1OC)-c2cnc(c(C(O)=O)n2)N	1
+FC(F)(F)c1c(-c2nc(C(Nc3ncccc3N4CCC(CC4)(C)N)=O)c(nc2)N)nccc1OC	12
+FC(F)(F)c1cc2c(NC(C(=O)N2O)=O)cc1-n3c(C)ncc3	4727
+FC(F)(F)c1cc(ccc1-n2cnc(C)c2)N	0
+FC(F)(F)c1cc(N)ccc1-c2cc(ccc2)Cl	11
+FC(F)(F)c1cc(ccc1Br)NC(=O)Nc2ccc(cc2)Oc3cc(Cl)ncn3	124
+FC(F)(F)c1c(Br)ccc(c1)NCC(O)=O	4
+FC(F)(F)c1cc([N+]([O-])=O)ccc1-c2ncc(C)cc2	4728
+FC(F)(F)c1nc(N)c(C(=O)NNC(Cc2ccccc2)=O)nc1Br	708
+FC(F)(F)c1c(Br)nc(C(=O)NN)c(n1)N	2100
+FC(F)(F)c1c(C(NO)=N)c(ccc1)F	181
+FC(F)(F)c1c(C#N)cc(N)cc1	623
+FC(F)(F)c1cc(ccc1C(N)=NO)C=C	253
+FC(F)(F)c1c(cc(c(c1)N)I)C#N	235
+FC(F)(F)c1c(ccc(c1)N2C(=O)N(C(CO)(C2=O)c3ccc(cc3)C#N)C)C#N	4729
+FC(F)(F)c1c2ccn(C(C)c3cc(C#N)ccc3)c2ccc1C#N	4573
+FC(F)(F)c1c2cc(n(C(CO)C)c2ccc1C#N)C	95
+FC(F)(F)c1c(C#N)ccc2c1cc(C)n2C(C)CS(=O)(=O)C	991
+FC(F)(F)c1ccccc1C(=O)Nc2c(cn(n2)-c3c(cccc3)Cl)Cl	330
+FC(F)(F)c1ccccc1C(Nc2cc3c(c(c2)C(OC)=O)nc[nH]3)=O	50
+FC(F)(F)c1ccccc1C(NCC2(CC2)c3ncc(cn3)C)=O	93
+FC(F)(F)c1c(cn(C)n1)C(=O)NC(C(NC)=O)CN	12
+FC(F)(F)c1c(C(=O)NCCC(=O)Nc2ccc(cc2)C3CCC(CC3)CC(O)=O)nc(o1)-c4c(Cl)cccc4Cl	4
+FC(F)(F)c1ncccc1-c2nnc(-c3cc(c(c(OC)c3)OC)[N+]([O-])=O)o2	9278
+FC(F)(F)c1n(C)c2cc(ccc2c1C(NC)=O)OC	56
+FC(F)(F)c1cc(ccc1C(O)=O)I	158
+FC(F)(F)c1nn(cc1C(N(C2CCN(CC2)c3nnc(c(C)c3C)-c4ccc(cc4)F)C)=O)Cc5ccc(cc5)OC	1020
+FC(F)(F)c1c(cnc(N)n1)CO	9279
+FC(F)(F)c1nccc(N)c1C(=O)OC	912
+FC(F)(F)c1nc(ncc1C(=O)O)Nc2c(Cl)cc(cc2)Cl	1
+FC(F)(F)c1ccc2c(n1)nc(c(C(O)=O)c2)C(F)(F)F	6
+FC(F)(F)c1ccncc1C(C(C)C)O	1372
+FC(F)(F)c1c(C(=O)C)cnc(N2CCn3c(C2C(C)C)nc4cc(COC(C)=O)c(cc34)S(=O)(=O)C)n1	117
+FC(F)(F)c1c(cccc1)C(N2CCNCC2)=O	25
+FC(F)(F)c1c(C(N2CCN(CC2)c3ncc(s3)C(=O)NC)=O)cccc1	454
+FC(F)(F)c1c(C(N2CCN(CC2)c3sc(C(O)=O)cn3)=O)cccc1	1
+FC(F)(F)c1c(C(=O)NC(CNC(OC(C)(C)C)=O)C(=O)NC)cn(C)n1	248
+FC(F)(F)c1c(oc(n1)-c2ccccc2)C(=O)Nc3cnc(N4CC(=O)N(CC4)Cc5ccccc5)cc3	9280
+FC(F)(F)c1c(C(=O)C)cnc(Nc2cccc(Cl)c2)n1	4133
+FC(F)(F)c1cc(ncc1C(=O)O)Nc2ccc(cc2Cl)Cl	1
+FC(F)(F)c1c(CO)n(cc1)-c2ccc(cc2)Cl	398
+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4c(nc3)cnc(COS(=O)(=O)C)c4)C)cccc1	7
+FC(F)(F)c1c(C(Oc2c(C(N)=O)sc(-n3c4c(cnc(CO)c4)nc3)c2)C)cccc1	35
+FC(F)(F)c1cccc(c1C)Cc2c(N)n[nH]c2N	4037
+FC(F)(F)c1c(C)c(Cn2c3cc(cc(c3nc2CF)Br)N)ccc1	0
+FC(F)(F)c1c(c(ccc1)Cn2c3c(c(Br)cc(c3)N)nc2C(F)F)C	0
+c1cc(ccc1)C(c2ccccc2)=Nc3c(C)c(c(C#N)cc3)C(F)(F)F	9281
+FC(F)(F)c1c(cc2N=C3C(N(CCCCCCC(OCC)=O)c2c1)=NC(O)=NC3=O)C	9282
+FC(F)(F)c1ncc(cc1C)C(=O)O	1
+FC(F)(F)c1cc2N(CCCC(c2cc1C)N=[N+]=[N-])C(=O)OC(C)(C)C	841
+FC(F)(F)c1c(cc(I)c(N)c1)C	184
+FC(F)(F)c1c(ccc(NCCCCCCC(OCC)=O)c1)C	601
+FC(F)(F)c1nc2ccc(nn2c1C)C=O	1436
+FC(F)(F)c1c(C)nc(cc1)Oc2cccc(CP(OCC)(OCC)=O)c2	1060
+FC(F)(F)c1c(nc(cc1)Oc2cc(C=C3CCC4(OCCO4)CC3)ccc2)C	846
+CC(C)(C)OC(=O)N1CC=C(CC1)c2c(C(F)(F)F)cccc2	252
+FC(F)(F)c1c(cccc1)C2CCNCC2	25
+FC(F)(F)c1ccc(Cl)cc1CC2C(=O)c3cc(c(N4CCOCC4)cc3C2)OC	4730
+FC(F)(F)c1cccc2[nH]ccc12	4526
+FC(F)(F)c1c(C(C(OCC)C(N2C(=O)OCC2Cc3ccccc3)=O)O)ccc(OCc4ccccc4)c1	4731
+FC(F)(F)c1c(C=O)ccc(c1)NC(=O)c2ccc(C)c(Br)c2	50
+FC(F)(F)c1cc(Nc2ccc(cc2Cl)Cl)ncc1CNCc3ccc(cc3)F	249
+FC(F)(F)c1c(ccc(c1)C(=O)OC)CNC	370
+FC(F)(F)c1cc(I)ccc1Cn2ccc(NC(c3c(cccc3F)F)=O)n2	309
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(c4cc(c(s4)OC)-c5ccnn5C)=O	227
+FC(F)(F)c1ccccc1CC(NC(=O)c2sc(c(-c3c(cnn3C)F)c2)Cl)CN4C(c5ccccc5C4=O)=O	227
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(c4c(n(C)c(-c5ccnn5C)c4)Cl)=O	56
+FC(F)(F)c1ccccc1CC(NC(c2scc(c2)-c3n(nc(Cl)c3CC)C)=O)CN4C(c5ccccc5C4=O)=O	227
+FC(F)(F)c1cc(ccc1CC2CCCCC2)CO	49
+FC(F)(F)c1[nH]c2c(Br)cccc2c1CCCO	44
+FC(F)(F)c1nn(CC(=O)Nc2c(c3c(CCCC3)s2)C(=O)N)cc1CCNC	285
+FC(F)(F)c1c(CN2CCN(CC2)CC)ccc(c1)NC(=O)Cc3c(cc(Br)cc3)F	33
+FC(F)(F)c1c(ccc(N2CCOCC2)c1)CN3CCN(C(ON4C(CCC4=O)=O)=O)C(C)(C)C3	613
+FC(F)(F)c1c(ccc(NC(c2ccc(C)c(-c3cc4cnncc4cc3)c2)=O)c1)CN5CCOCC5	2256
+FC(F)(F)c1c(C=O)cnc(Nc2ccc(cc2Cl)Cl)c1	200
+FC(F)(F)c1c(cnc(n1)Nc2cccc(Cl)c2)C=O	1195
+FC(F)(F)c1c(n(-c2ccc(cc2)Cl)cc1)COc3c(cc(cc3F)CCC(OCC)=O)F	20
+FC(F)(F)c1c(Cl)c(ncn1)-c2c(cc(c(O)c2)Cl)F	5
+FC(F)(F)c1c(Cl)c(-c2cc(c(cc2F)Cl)OC)ncn1	198
+FC(F)(F)c1cnc2c(c(NC(=O)c3nccnc3)c[nH]2)c1Cl	1285
+FC(F)(F)c1cc2c(c([N+]([O-])=O)c1Cl)n(c(C)n2)CC	4732
+FC(F)(F)c1cc(C=2C=C(O)C(=O)N(C=2)C(C)C)ccc1Cl	4733
+FC(F)(F)c1c(Cl)ccc(Oc2ccc(cc2C#N)C=O)c1	46
+FC(F)(F)c1cc(Oc2ccc(cc2)C=O)ccc1Cl	46
+FC(F)(F)c1c(Cl)ccc(c1)Oc2c(C#N)cc(CO)cc2	41
+FC(F)(F)c1cc(C(=O)O)ccc1-c2ccccc2	667
+FC(F)(F)c1c(nc(Cl)nc1)NC	40
+FC(F)(F)c1c(nc(nc1)SC)Cl	1721
+FC(F)(F)c1c(Cl)nc(nc1)Nc2ccc(cc2)C(=O)OCc3ccccc3	55
+FC(F)(F)c1c(Cl)nc(Nc2ccc(OC)nc2)nc1	949
+FC(F)(F)c1c(Cn2c3ccc(cc3c(n2)-c4ccc(cc4)F)C=O)ccc(Cl)c1	1624
+FC(F)(F)c1cccc(C(c2ccc(cc2)OC)=O)c1F	705
+FC(F)(F)c1c(F)c(Cl)cc(I)c1	158
+FC(F)(F)c1c(c(F)c(c(F)c1F)-n2nccc2N)F	2257
+FC(F)(F)c1c(F)c(F)c(c(F)c1F)-n2c(NC(=O)C)c([N+]([O-])=O)cn2	4734
+FC(F)(F)c1c(F)c(C(N(OC)C)=O)ccc1	280
+FC(F)(F)c1c(cc(C(N2C(c3c(C2=O)cccc3)=O)CN(C(=O)OC(C)(C)C)C)cc1)F	2131
+FC(F)(F)c1c(F)cc(cc1)C2CN(C(N3CCSCC3)=O)CC(C2)C(O)=O	4
+FC(F)(F)c1ccc(CC(Nc2c(nc(NCc3ccc(cc3)F)cc2)N4CCCC4)=O)cc1F	469
+FC(F)(F)c1ccc(C(C(Nc2sccn2)=O)CC3CCCC3)cc1F	373
+FC(F)(F)c1ccc(cc1F)C2CN(C(=O)N3CCSCC3)CC(c4nc(OCC)no4)C2	4090
+FC(F)(F)c1c(F)cc(cc1)CN(C2C(c3cc(F)c(cc3)Cl)CN(Cc4ccccc4)C2)C	48
+FC(F)(F)c1ccc(cc1F)CN(C2C(CNC2)c3cc(c(cc3)Cl)F)C	25
+FC(F)(F)c1c(cc(cc1F)CCC2NCCCc3n(nc(C)c23)CC)F	2967
+FC(F)(F)c1cc2c(cn(c2cc1F)C)CN3C(C4=CC=C(n5cc(nc5)C)C(=O)N4CC3)=O	3055
+FC(F)(F)c1c(ccc(-c2cnc([nH]2)N3CCN(CC3)c4ncnc5c4c[nH]n5)c1)F	1577
+FC(F)(F)c1c(F)ccc(c1)Oc2c(C#N)cc(CO)cc2	41
+FC(F)(F)c1c(F)ccc(c1)Oc2c(cc(CSc3nc(O)c(cn3)Cc4cnc(nc4)OC)cc2)C#N	3561
+FC(F)(F)c1c(cc2c(NC(CC(=N2)c3cc(ccc3)-c4onc(C)c4)=O)c1)N5CCSCC5	1222
+FC(F)(F)c1c(NC(Nc2ccc(c(S(=O)(=O)N(C)C)c2O)Cl)=S)cccc1	773
+FC(F)(F)c1c(c(ccc1)C(Nc2ccccc2)=O)N=[N+]=[N-]	67
+FC(F)(F)c1c(cnc(n1)Nc2cccc(Cl)c2)N	4208
+FC(F)(F)c1c2NC(c3cccnc3N(CC)c2nc(C)c1)=O	4735
+FC(F)(F)c1cc(ccc1N2C(=NNC2=O)CC3CCN(C3)C(=O)C4CC4)Br	2585
+FC(F)(F)c1ccccc1NC2CCN(CC2)C(=O)CNC(c3ccc(cc3)Nc4ccccc4)=O	10
+FC(F)(F)c1c(cc2c([nH]cc2)c1)OC	9283
+FC(F)(F)c1ccc(C(=O)N(C)OC)cc1OC	280
+FC(F)(F)c1c(cc2c(cn(C)c2c1)C)O	5
+FC(F)(F)c1c(nc(C(OC)=O)c(-n2c(C)ccc2C)c1)O	104
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(N)c1)OCC	0
+FC(F)(F)c1c(OCC)ccc(-c2nc(c(c(c2)N)N)C#N)c1	13
+FC(F)(F)c1cc(ccc1OCC2CCN(CC2)C)N	0
+FC(F)(F)c1cc(ccc1OCCCCCCC)CP(OCC)(OCC)=O	1060
+FC(F)(F)c1cc(ccc1OCCO)-c2nc(C#N)c3ncn(C)c3c2	1165
+FC(F)(F)c1c(ccc(c1)-c2nc(C#N)c3ncn(C)c3c2)OCOCCOC	1165
+FC(F)(F)c1cccc(O)c1Oc2ccccc2	5
+FC(F)(F)c1c(cccc1)S(=O)(=O)Nc2c(-c3ccc(cc3)CO)nccn2	696
+FC(F)(F)c1c(ccc(C(CC2CCCC2)C(Nc3ncc(cc3)[N+](=O)[O-])=O)c1)SC	142
+FC(F)(F)c1ccc(cc1[N+](=O)[O-])-c2cn3c(ccc(c3)Br)n2	440
+FC(F)(F)c1ccc(cc1[N+](=O)[O-])-c2cn3nc(Cl)ccc3n2	1749
+FC(F)(F)c1c(nc(cc1)Cl)Cl	174
+FC(F)(F)c1c(c(ccc1)Br)N	106
+FC(F)(F)c1nn(-c2ccc(cc2)CCO)c(C)c1-c3ccccc3	800
+FC(F)(F)c1cc(C=CC(=O)N2C(COC2=O)Cc3ccccc3)cc(c1N)Cl	2632
+FC(F)(F)c1c(-c2ccc(cc2)S(=O)(=O)N3CCOCC3)c(Cl)cc(N)c1	11
+FC(F)(F)c1c(C(=O)n2c3c(c(ccc3)F)c(I)n2)c(Cl)ccc1	9284
+FC(F)(F)c1cccc(c1CO)Cl	98
+FC(F)(F)c1c(c(ccc1)Cn2c3c(nc2C(F)F)c(cc(c3)N4CCOCC4)C(O)=O)C	1
+FC(F)(F)c1c2C(N(C(c3c(OC)cccc3)Nc2ccn1)C(Cc4ccccc4)C)=O	4736
+FC(F)(F)c1cccc(N2CC(CC2)OCC#C)c1CN3CCNCC3	2
+FC(F)(F)c1c(Oc2ccccc2)c(ccc1)OC	46
+FC(F)(F)c1ccc(OCc2ccccc2)c3c1cc(C(OCC)=O)[nH]3	3056
+FC(F)(F)c1c(c(C#N)cc(-n2c(nc(C)c2)C)c1)N	3057
+FC(F)(F)c1cc(cc(c1N)Cl)CO	49
+FC(F)(F)c1cc(cc([N+](=O)[O-])c1N)Cl	106
+FC(F)(F)c1c(C)c(ccc1)Cn2c3c(c(Br)cc([N+](=O)[O-])c3)nc2C(F)F	505
+FC(F)(F)c1c(C)c(Cn2c3c(c(cc([N+](=O)[O-])c3)Br)nc2CF)ccc1	505
+FC(F)(F)c1c(c(CN2C(C(=CN(C2=O)c3ccc(cc3)N4CCOC4=O)C#N)=O)ccc1)C	1819
+FC(F)(F)c1c(C)c(ccc1C#N)N	685
+FC(F)(F)c1cc2c3c(CCC(P(OCC)(OCC)=O)N3C(C(=O)N2)=O)c1N	0
+FC(F)(F)c1c(CCCOc2cc(C)c(c(c2)C)Cl)c3cccc(c3n1CC(=O)O)-c4c(C)nn(C)c4C	3
+FC(F)(F)c1ccc(C#Cc2nnc(OCc3ccccc3)c(c2)OCc4ccccc4)cc1C	455
+FC(F)(F)c1c(F)cc(cc1)C(C(=O)O)CC2CCCC2	4
+FC(F)(F)c1cc(NC(=O)c2cnc(F)cc2)c(Cl)cc1Br	971
+FC(F)(F)c1cc2c(N=C(CC(=O)N2)c3cccc(c3)-c4ccnn4C)cc1N(C)C	690
+FC(F)(F)c1c(cc(c(NC(=O)CC(c2cc(-c3ccc(OC)nn3)ccc2)=O)c1)N)N(C)C	78
+CC(C)(C)OC(=O)Nc1cc(N(C)C)c(C(F)(F)F)cc1N	0
+FC(F)(F)c1c(C)cc(c(c1)NCCCCCCC(OCC)=O)N	0
+FC(F)(F)c1c(cc2nc(ccc2c1)O)F	9285
+FC(F)(F)c1cc2c(cc1N(C)C)N=C(c3cc(ccc3)-c4nnc(cc4)OC)CC(=O)N2	1222
+FC(F)(F)c1c(cc2N=C(CC(=O)Nc2c1)c3cc(ccc3)-c4onc(C)c4)C	690
+FC(F)(F)c1cc(c(cc1C)C#N)N	0
+FC(F)(F)c1c(C#N)cc(I)c(NS(=O)(=O)C)c1	80
+FC(F)(F)c1c(N2CCSCC2)cc(N)c(c1)NC(CC(=O)c3cccc(-c4cc(no4)C)c3)=O	78
+FC(F)(F)c1ccc(cc1Nc2c(-c3ccncn3)cccn2)C(=O)O	6
+FC(F)(F)c1c(cc(cc1F)CCC(OCCCC)=O)F	159
+FC(F)(F)c1c(F)cc(cc1F)CCC(NCCCc2cc(C)nn2CC)=O	9
+FC(F)(F)c1c(cc(cc1F)CCC(O)=O)F	1317
+FC(F)(F)c1c(C)cc(C=O)cn1	200
+FC(F)(F)c1c(F)cc2c(c1)N(C(CC2=NO)C)C(=O)OC(C)C	189
+FC(F)(F)c1cc2NCCc2cc1OC	931
+FC(F)(F)c1c(cc2cc([nH]c2c1)C(CSCC)(C)O)C#N	2550
+FC(F)(F)c1c(F)ccc(-c2c[nH]c(n2)N3CCNCC3)c1	25
+FC(F)(F)c1cc(-c2cc3n(nnc3c(C#N)n2)C)ccc1OCC4CN(c5ccccn5)CC4	262
+FC(F)(F)c1c(ccc(-c2cc3n(nnc3c(C#N)n2)C)c1)O	2986
+FC(F)(F)c1c(OCCO)ccc(B(O)O)c1	168
+FC(F)(F)c1cc(C#N)ccc1Oc2c(OC)cc(C=O)cc2	46
+FC(F)(F)c1cc(C(=O)O)ccc1N2CCCCC2C	872
+FC(F)(F)c1cc(C(C(OCC)=O)CC(C)C)ccc1[N+]([O-])=O	4475
+FC(F)(F)c1c(-c2noc(c2)CC(=O)O)ccc(C3CC3)c1	9286
+FC(F)(F)c1c(ccc(CC(=O)Nc2c(Cl)ccc3C(N(C=Cc23)CCO)=O)c1)F	59
+FC(F)(F)c1cc(ccc1N)N(c2cc3oc(c(C(NC)=O)c3cc2C4CC4)-c5ccc(cc5)F)S(=O)(=O)C	0
+FC(F)(F)c1cc(ccc1N)N2CCOCC2	0
+FC(F)(F)c1c(ccc(NC(Nc2ccc(cc2)Oc3ncnc(-n4ncnc4)c3)=O)c1)Cl	124
+FC(F)(F)c1c(ccc(NC(Nc2ccc(cc2)Oc3ncnc(SC)c3)=O)c1)Cl	124
+FC(F)(F)c1cc(N2C(C3(CCN(CC3)C)N(c4ccc(cc4)C)C2=S)=N)ccc1C#N	9287
+FC(F)(F)c1c(ccc(NC(NCCCN(C(C)C)CC2C(O)C(O)C(n3c4ncnc(N)c4nc3)O2)=O)c1)Cl	265
+FC(F)(F)c1c(ccc(c1)NC(OCc2ccccc2)=O)CCF	559
+FC(F)(F)c1c(cc([N+]([O-])=O)c(NCCCCCCC(OCC)=O)c1)C	77
+FC(F)(F)c1nc(O)ccc1[N+]([O-])=O	104
+FC(F)(F)c1c(ccc(Oc2c(Cl)cc(C(=O)NS(=O)(=O)C)c(F)c2)c1)Cl	258
+FC(F)(F)c1c(Cl)ccc(S(=O)(=O)Nc2c(C=O)ncc(c2)Cl)c1	2258
+FC(F)(F)c1c(ccc(S(=O)(=O)Nc2c(ncc(c2)Cl)C(c3c(ccc(c3)-n4nccc4)Cl)=O)c1)Cl	2258
+FC(F)(F)c1cc(ccc1OCCOCc2ccccc2)[N+]([O-])=O	57
+FC(F)(F)c1c(ccc(-c2cc3n(nnc3c(C#N)n2)C)c1)OCCCO	2259
+FC(F)(F)c1c(ccc(-c2cc3n(nnc3c(C#N)n2)C)c1)OCOCCOC	2259
+FC(F)(F)c1cc(ccc1OCCCOS(=O)(=O)C)-c2cc3c(ncn3C4CCCCO4)c(C#N)n2	7
+FC(F)(F)c1cc(ccc1OCCCOS(=O)(=O)C)-c2nc(C#N)c3ncn(C)c3c2	7
+FC(F)(F)c1c(ccc(c1)-c2cc3n(C)cnc3c(C#N)n2)O	2986
+FC(F)(F)c1cc(N2C(C(NC2=O)(COCC=C)c3ccc(cc3)C#N)=O)ccc1C#N	4737
+FC(F)(F)c1cc(N2C(=O)NC(c3ccc(cc3)F)(COCC=C)C2=O)ccc1C#N	4737
+FC(F)(F)c1c(ccc(N(S(=O)(=O)C)c2cc3oc(c(C(NC)=O)c3cc2C4CC4)-c5ccc(cc5)F)c1)[N+]([O-])=O	3058
+FC(F)(F)c1cc(ccc1F)NC(=O)c2c3ccc(cc3ccc2)Oc4ccnc(N)n4	67
+FC(F)(F)c1cc(Nc2nc(cc(O)n2)CCC)ccc1F	1334
+FC(F)(F)c1c(OCCOCc2ccccc2)ccc(c1)NC(=O)Cc3c(cc(cc3F)Br)F	26
+FC(F)(F)c1cc(N2CCOCC2)ccc1Nc3c4c(ccc(c4)-c5cccs5)ncn3	1373
+FC(F)(F)c1c(ccc(N)c1)CCF	890
+FC(F)(F)c1c(ccc(c1)Nc2ncnc(NN)n2)F	4196
+FC(F)(F)c1cc(OCc2nc(-c3c(F)cccc3)oc2C)ccc1CC(C(OC)=O)OCC	547
+FC(F)(F)c1cc(OC)ccc1Nc2ccc(c(F)c2)C#N	230
+FC(F)(F)c1cc(OC)ccc1Nc2ccc(cc2)C#N	230
+FC(F)(F)c1cc(S(=O)(=O)N(c2cc(cnc2C(O)c3cc(ccc3Cl)-n4cccn4)Cl)COC)ccc1Cl	3059
+FC(F)(F)c1c(ccc(S(=O)(=O)N(COC)c2cc(Cl)cnc2C(c3cccc(C)c3Cl)=O)c1)Cl	4564
+FC(F)(F)c1c(ccc(S(=O)(=O)Nc2nccnc2C(=O)O)c1)Cl	1
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)NC(=S)N)Cl	1099
+FC(F)(F)c1c(ccc(S(=O)(=O)c2ccc(cc2)N)c1)Cl	0
+FC(F)(F)c1cc(cc(Cl)c1N)[N+](=O)[O-]	196
+FC(F)(F)c1c(OC)ccc(N)c1	0
+FC(F)(F)c1c2c(ccc1C#N)n(Cc3oc(nn3)-c4cncc(Br)c4)c(CC)c2	9288
+FC(F)(F)c1c(-c2c3c(OC(C3)CN=[N+]=[N-])ccc2)cccc1	4738
+FC(F)(F)c1ccccc1-c2c(cc(cc2)C(=O)O)OCC	1
+FC(F)(F)c1ccccc1-c2c(cc3c(c(ccc3)C)n2)CN	2260
+FC(F)(F)c1c(cccc1)-c2nc3c(cccc3C(=O)Nc4cc(ccc4)OCC(CO)O)[nH]2	265
+FC(F)(F)c1ccccc1C2(CCN(CC2)Cc3ccccc3)O	251
+FC(F)(F)c1c(cccc1)C(N2CCN(CC2)c3cc([N+](=O)[O-])c(cc3)N)=O	9289
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3ccc(cn3)N	13
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3ncc(cc3)NC(=O)CCc4ccccc4	308
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3cc(c(cc3)N)N	0
+FC(F)(F)c1c(C(=O)N2CCN(CC2)C(CNC(c3ccccc3O)=O)=O)cccc1	10
+FC(F)(F)c1c(C(N2CCN(CC2)c3sc(cn3)C(OC)=O)=O)cccc1	641
+FC(F)(F)c1ccccc1C(N2CCN(CC2)c3nnc(N)cc3)=O	212
+FC(F)(F)c1c(cccc1)C(Oc2cc(sc2C(OC)=O)-n3c4cc(ccc4nc3)CSC)C	1672
+FC(F)(F)c1c(cccc1)C(Oc2c(C(OC)=O)sc(-n3c4c(ccc(CCl)c4)nc3)c2)C	2845
+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4cc(ccc4nc3)CSC)C)cccc1	1355
+FC(F)(F)c1c(C(Oc2cc(-n3c4c(cnc(c4)CO[Si](C)(C)C(C)(C)C)nc3)sc2C(N)=O)C)cccc1	1355
+FC(F)(F)c1ccccc1C2CCN(CC2)C(c3ccc(nn3)Cl)=O	147
+FC(F)(F)c1ccccc1-c2nc3c([nH]2)cccc3C(O)=O	622
+FC(F)(F)c1c(CC(N)CN2C(c3c(cccc3)C2=O)=O)cccc1	12
+FC(F)(F)c1ccccc1CCC2NCCNC2	25
+FC(F)(F)c1c(cccc1)COC2CNC2	2
+FC(F)(F)c1c(cccc1)COC2CN(C2)c3ccc(nn3)C(=O)NN	1726
+FC(F)(F)c1c(cccc1)COC2CN(C2)c3ccc(C(OC)=O)nn3	212
+FC(F)(F)c1c(cccc1)S(=O)(=O)Nc2nccnc2-c3ccc(cc3)CN(C)c4ccccc4	2786
+FC(F)(F)c1c(cccn1)-c2ccc3n(n2)cc(-c4cc(c(cc4)C)N)n3	0
+FC(F)(F)c1c(cccn1)-c2ccc3nc(cn3n2)-c4ccc(c(NC(=O)c5cccc(Br)c5)c4)C	50
+FC(F)(F)c1c(C(=O)NNC(=O)c2cc(OC)c(c([N+](=O)[O-])c2)OC)cccn1	4739
+FC(F)(F)c1nn(cc1CO)Cc2cc3c(C(CC3)NC(OCc4ccccc4)=O)cc2	536
+FC(F)(F)c1nc(N)ncc1C=O	1195
+FC(F)(F)c1nc(ncc1C(NCc2ccccc2)=O)Nc3cccc(Cl)c3	484
+FC(F)(F)c1c(C(O)C)cnc(Nc2cccc(Cl)c2)n1	4135
+FC(F)(F)c1c(cnn1-c2ccc(Cl)cc2Cl)C(=O)N	1356
+FC(F)(F)c1n(-c2ccc(Cl)cc2Cl)ncc1C#N	4740
+FC(F)(F)c1c(cnn1-c2c(Cl)cc(cc2)Cl)C(=O)O	6
+FC(F)(F)c1c(cnn1-c2cccc(-c3cc(F)ccc3C=Cc4ccc(cc4C)OC)n2)C(=O)OCC	1265
+FC(F)(F)c1c(cnn1-c2cccc(-c3cc(F)ccc3CCc4ccc(OC)cc4C)n2)C(=O)OCC	1442
+FC(F)(F)c1c(cnn1-c2cccc(-c3cc(F)ccc3CCc4c(cc(cc4)O)C)n2)C(=O)OCC	5
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(-c4ccc(cc4)C=O)n3	39
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(n3)-c4ccc(cc4)CO	9290
+FC(F)(F)c1n(ncc1C(=O)OCC)-c2nc(-c3ccccc3OCc4ccc(cc4)OCCOC)ccc2	22
+FC(F)(F)c1c(CC2CCC(CC2)(F)F)n3c(cc(cc3Cl)C(=O)O)n1	6
+FC(F)(F)c1ccc(nc1-c2ccc(cc2)OC)NCCCOc3ccc4C(CCc4c3)CC(=O)OCC	140
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	43
+FC(F)(F)c1c(nc(cc1)Oc2cc(ccc2)C=C3CCC(CC3)N)C	316
+FC(F)(F)c1c(nc(cc1)Oc2cc(C=C3CCC(CC3)=O)ccc2)C	97
+FC(F)(F)c1cnc(nc1I)SC	9291
+FC(F)(F)c1nc2c(nc1-c3c(Cl)cc(C(=O)O)cc3)ccc(c2)O	5
+FC(F)(F)c1cc(cnc1N2CCN(CC2)C(OCc3ccccc3)=O)NC(C)=O	9292
+FC(F)(F)c1c(ncc(c1)Br)N2CCN(CC2)C(OCc3ccccc3)=O	66
+FC(F)(F)c1c(nccc1)N2CCN(CC2)c3nc(Nc4ccc(cc4)C)cc(N5CCCCC5)n3	73
+FC(F)(F)c1scnc1-c2ccc3c(nccc3Cl)n2	9293
+FC(F)(F)c1c(noc1-c2nc(no2)-c3ccc(cc3)C(CN4CC(C(=O)O)CC(O)C4)O)-c5ccccc5	170
+FC(F)(F)c1c(oc(-c2ccccc2)n1)C(Nc3cnc(N4CCNC(C4)=O)cc3)=O	9294
+FC(F)(F)c1c(sc(CNC(=O)OC(C)(C)C)n1)C(N)=S	9295
+FC(F)(F)c1c2c(n(-c3ccc(cc3)C#N)n1)CCCC2	568
+FC(F)(F)c1nn(-c2ccc(cc2)CC(OCC)=O)c3c1CCCC3	901
+FC(F)(F)c1c2CCN(c3ccc(cc3)N4C(=O)CCCC4)C(=O)c2n(-c5ccc(c(c5)Cl)F)n1	883
+FC(F)(F)c1c2CCN(CC(NC)=O)Cc2n(CC(Nc3cc(ccc3OC)Cl)=O)n1	271
+FC(F)(F)c1nn(c2c1CCN(c3ccc(cc3)N4C(=O)CCCC4)C2=O)-c5ccc(c(c5)C#N)F	4741
+FC(F)(F)c1c2c(CCNC2)ccc1	318
+FC(F)(F)c1c2c(OCc3ccccc3)c(Br)ccc2nc(O)c1	22
+FC(F)(F)c1c2c(CC(C)(C)CC2=O)n(-c3cc(c(cc3)C#N)Br)n1	926
+FC(F)(F)c1c2c(nc(c1)OC(C)C)ccc(Br)c2O	16
+FC(F)(F)c1c2c(ccc1)c(cs2)C3CCNCC3	526
+FC(F)(F)c1c2c(c(ccn2)-c3cccc(C=O)c3)ccc1	699
+FC(F)(F)c1c2c(c(c(cc2)OCCCN(C)C(=O)Nc3nc(C)ccc3)CCC)on1	9296
+FC(F)(F)c1c2c(c(c(OCCCNC)cc2)CCC)on1	132
+FC(F)(F)c1c2c(ccc1)c(-c3cccc(c3)CNc4cccc5c(cccc45)CC(=O)O)ccn2	208
+FC(F)(F)c1c2c(c(n(Cc3c(cc(cc3F)F)F)n2)-c4cc(ccc4)C#Cc5cccc(C(NC)=O)c5)ccc1	14
+FC(F)(F)c1c2c(c(n(Cc3c(cc(cc3F)F)F)n2)-c4cc(ccc4)C#Cc5cccc(C(=O)O)c5)ccc1	6
+FC(F)(F)c1cccc2c(c(C(=O)OC)sc12)C3CCN(CC3)C(=O)C	58
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)N(OC)C	1012
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(c4)S(=O)(=O)CCCO)ccc3Cl)nc(C)nc12	304
+FC(F)(F)c1nn(c2c1CCCC2)-c3ccc(cc3)CN	107
+FC(F)(F)c1c2c(sc1)ncnc2Nc3ccccc3OC4CCOC4	1500
+FC(F)(F)c1c2cc(n(c2ccc1C#N)C(COS(=O)(=O)C)C)C	7
+FC(F)(F)c1c(C#N)ccc2n(C(CSC)C)c(cc12)C	786
+FC(F)(F)c1c2c(nc(O)c1)n3c(cc2)nc(C(NN)=O)c3	4742
+FC(F)(F)c1cc(cn2c(c(nc12)C(OCC)=O)Cl)-c3ccco3	9297
+FC(F)(F)c1cccn2c(-c3cc(Oc4cc(S(=O)(=O)C)ccc4)ccc3)c(nc12)C	46
+FC(F)(F)c1c2c(ccc1)c(c(C(O)=O)cn2)-c3ccccc3	6
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)c4cccc(C)c4	3060
+FC(F)(F)c1c[nH]c2nccc(Nc3ccc(N)cc3F)c12	0
+FC(F)(F)c1cc(-c2[nH]c(nc2)C3CCC(CC3)CNCC)ccc1	15
+FC(F)(F)c1cc(-c2[nH]c(nc2)C3CCC(CC3)CN)ccc1	102
+FC(F)(F)c1cc(-c2[nH]c(C3CCC(CC3)CNC(C)=O)nc2)ccc1	68
+FC(F)(F)c1cccc(-c2c(C)cc3c(c2Oc4ccc(cc4)C=O)ccc(OC)c3)c1	9298
+FC(F)(F)c1cc(-c2c(cc(cc2)NCc3c(cccc3F)F)F)n(C)n1	162
+FC(F)(F)c1cc(ccc1)-c2cc(C(NC)C)ccc2OCC(OC)=O	1607
+FC(F)(F)c1nc(-n2cnc(I)c2)nc(-c3cc(Cl)c(Cl)cc3)c1	937
+FC(F)(F)c1cc(-c2ccc(C=O)c(C)n2)ccc1	200
+FC(F)(F)c1nn(c(c1)-c2ccc(cc2)-c3cc(ccc3)S(=O)(=O)C)CC(O)=O	3
+FC(F)(F)c1cc(OC)c(CNc2ccc(-c3ccc(cc3)Cl)c(c2)Cl)c(c1)-c4ccc(cc4)C(OC)=O	208
+FC(F)(F)c1cc(-c2ccc(cc2)CCNS(=O)(=O)C)n(-c3ccc(cc3)Cl)n1	111
+FC(F)(F)c1cc(-c2ccc(cc2)CCN)n(-c3ccc(cc3)Cl)n1	45
+FC(F)(F)c1cc(-c2ccc(cc2)CCOS(=O)(=O)C)n(-c3ccc(cc3)Cl)n1	7
+FC(F)(F)c1cc(-c2ccc(cc2)CCN3C(=O)c4ccccc4C3=O)n(-c5ccc(cc5)Cl)n1	896
+FC(F)(F)c1cc(-c2ccc(cn2)N3CCN(CC3)C(OCC(NC)=O)=O)ccc1	271
+FC(F)(F)c1nccc(-c2cnc(C(Nc3nc(N4C(C(C)F)COC4=O)ccn3)C)cc2)c1	1333
+FC(F)(F)c1cccc(-c2cnn3c(nnc3n2)C)c1	4743
+FC(F)(F)c1c(ncc(-c2nc(c3c(n(nn3)C)c2)C#N)c1)OCCC4CCN(CC4)C(=O)OC(C)(C)C	2259
+FC(F)(F)c1c(ccc(-c2nc(NC(=O)c3ccc(cc3)Nc4ncnc(N(C)C)c4)sn2)c1)F	3875
+FC(F)(F)c1cccc(-c2nc3ccc(S(=O)(=O)C)cc3c(C(O)=O)c2CN4CCC(CC4)N5CCCCC5)c1	1
+FC(F)(F)c1cc(-c2nc3c(cc2)N4CCC(N3C(=O)Nc5cc(-c6cnco6)cc(-c7cnco7)c5)C4)ccc1	2792
+FC(F)(F)c1cc(-c2ncc(NC(c3cc(ccc3N)N4CCCCC4)=O)nc2)ccc1	0
+FC(F)(F)c1c(OCC)nc(c(c1)-n2c(C)ccc2C)C(=O)O	1
+FC(F)(F)c1cc(OC)c2c(n3c(c(C)nc3-c4c(cncc4)C)nn2)c1	2051
+FC(F)(F)c1cc(-n2cnc(C)c2)c(c(Cl)c1)N	0
+FC(F)(F)c1cc2c(c(c1)Cl)nnc3c(C)ncn23	2051
+FC(F)(F)c1cc(ccc1F)-c2nc(C=O)ccc2	119
+FC(F)(F)c1c(ccc(c1)-c2nc(C#N)c3ncn(C)c3c2)OCCCO	1165
+FC(F)(F)c1cc(B(O)O)ccc1OCCCO	168
+FC(F)(F)c1c(ccc(B(O)O)c1)OCCOC2CCCCO2	579
+FC(F)(F)c1cc(Br)c2ncc(C(OCC)=O)n2c1	9299
+FC(F)(F)c1cc(c2c(c1)NCC2)Br	931
+FC(F)(F)c1cc2c(scc2)c(c1)Br	1539
+FC(F)(F)c1cc(c2n(c1)c(cn2)C(O)=O)Br	6
+FC(F)(F)c1c(c(cc(N2Cc3c(CC2)cccc3)c1)Cl)NC(CCC4CCCC4)=O	79
+FC(F)(F)c1cc(Br)cc(N2CCN(CC2)C(C)=O)c1	58
+FC(F)(F)c1cc(Br)cc(N2CCNCC2)c1	2
+FC(F)(F)c1c(OCc2ccccc2)ccc(c1)Oc3ccc(cc3)OCC	304
+FC(F)(F)c1cc2cc[nH]c2cc1F	4574
+FC(F)(F)c1cc(c(-c2cc(S(=O)(=O)Cl)c(OC)cc2Cl)cn1)C#N	240
+FC(F)(F)c1cc(Oc2c(c(C)ccc2Cl)F)cc(c1)C#N	46
+FC(F)(F)c1c(ccc(C#N)c1)Oc2c(cc(cc2)C=C3C(=O)NC(=S)S3)OC	1149
+FC(F)(F)c1cc(C(NO)=N)nc(C(C)C)n1	958
+FC(F)(F)c1cc([N+](=O)[O-])cc(c1)C=O	760
+FC(F)(F)c1cc(C(NCC(NC2CCN(C2)C3CCN(C3)C(=O)OCc4ccccc4)=O)=O)ccc1	85
+FC(F)(F)c1cc(N)cc(c1)C(=O)Nc2cc(-c3n4c(cc(n4)-c5ccncc5)ncc3)ccc2	0
+FC(F)(F)c1cc(C(Nc2cc(NC(=O)c3cnc(SC)nc3N)c(C)cc2)=O)ccc1	9300
+FC(F)(F)c1c(ccc(-c2onc(-c3cc(c(S(=O)(=O)N)cc3)CC)n2)c1)-c4ccccc4	2185
+FC(F)(F)c1cc(-c2onc(n2)-c3cc4c(cc3)nc[nH]4)ccc1N5C(CCCC5)C	529
+FC(F)(F)c1cc(CO)ccc1OCCCCCCC	49
+FC(F)(F)c1nn(c(c1)CO)-c2ccc(cc2)[N+]([O-])=O	629
+FC(F)(F)c1cc(C(OC)=O)cc(c1)N	0
+FC(F)(F)c1cc(cc(c1)C(NN)=O)[N+]([O-])=O	296
+FC(F)(F)c1cc(ccc1-c2cscc2C)C(=O)O	1
+FC(F)(F)c1c(CC2CCCCC2)ccc(c1)C(=O)O	1
+FC(F)(F)c1c(ccc(c1)C(=O)O)CN2CCN(CC2)C(=O)OC(C)(C)C	1
+FC(F)(F)c1c(SC)ccc(c1)C(C(O)=O)CC2CCCC2	411
+FC(F)(F)c1cc(C(CC(C)C)C(O)=O)ccc1[N+]([O-])=O	3
+FC(F)(F)c1cc(ccc1N)C(C(OCC)=O)CC(C)C	0
+FC(F)(F)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1O	31
+FC(F)(F)c1c(N)ccc(C(=O)C)c1	0
+FC(F)(F)c1cc(C(F)(F)F)ccc1Cn2c3ccc(cc3c(n2)Cl)C=O	823
+FC(F)(F)c1cc(C(F)(F)F)ccc1Cn2nc(Cl)c3cc(C=C4C(N=C(S4)N5CC(CO)OCC5)=O)ccc23	1149
+FC(F)(F)c1cc(C(NCC(=O)NC2CCN(C3C(NCc4ccccc4)CCCC3)C2)=O)ccc1	42
+FC(F)(F)c1cc(C(NCC(=O)NC2CCN(C2)C3C(N)CCCC3)=O)ccc1	18
+FC(F)(F)c1cc(C(NCC(NC2CCN(C3CNCC3)C2)=O)=O)ccc1	62
+FC(F)(F)c1cc(C(NCC(=O)NC2CN(CC2)C3CCN(C3)c4ccc(cc4)C(OC)=O)=O)ccc1	79
+FC(F)(F)c1cc(C(NCC(NC2CN(C2)C3CCC(CC3)c4ccc(cc4)CC(=N)N)=O)=O)ccc1	3824
+FC(F)(F)c1nc(C(C)C)nc(C2=NC(=O)ON2)c1	1988
+FC(F)(F)c1cc(C(=O)O)c(Cl)c([N+](=O)[O-])c1	31
+FC(F)(F)c1cc(CO)cc(-n2nnnc2C)c1	49
+FC(F)(F)c1cc(C(=O)Nc2cc(I)c(cc2)C)ccc1	67
+FC(F)(F)c1c(OCC2CC2)ccc(c1)CO	49
+FC(F)(F)c1cc(C(O)=O)cc(-n2nnnc2C)c1	1
+FC(F)(F)c1cc(C(OC)=O)cc(-n2nnnc2C)c1	9301
+FC(F)(F)c1cc(n(-c2ccc(cc2)[N+]([O-])=O)n1)C(OC)=O	77
+FC(F)(F)c1ccc(Oc2cccc(CC(=O)OC)c2)c(c1)C=O	1054
+FC(F)(F)c1cc(C2CC2)n(n1)-c3c(cc(cc3F)[N+](=O)[O-])F	926
+FC(F)(F)c1cc(N)cc(c1)C2CCN(CC2)C	191
+FC(F)(F)c1cc(cc(Cl)c1N)CCC(N2C(OCC2Cc3ccccc3)=O)=O	1320
+FC(F)(F)c1cccc(C=2Oc3c(C(=O)O)cccc3C(=O)C=2)c1	9302
+FC(F)(F)c1cc(C(=NO)Cl)c(cc1)F	761
+FC(F)(F)c1cc(c(-c2c(OC)ccc(CC(OCC)=O)c2)cc1)CO	41
+FC(F)(F)c1cc(CNCc2ccccc2)c(-c3cc(CC(=O)OC)ccc3OC)cc1	42
+FC(F)(F)c1cc(c(cc1)OCOC)CO	41
+FC(F)(F)c1cc2c(sc(C(=O)OC)c2)c(c1)Br	1425
+FC(F)(F)c1cc(c(Oc2cccc(c2)C(C(=O)O)C)cc1)CN3CCOC3=O	9303
+FC(F)(F)c1cc(Cn2c3c(c(I)c2C(OCC)=O)cc(-c4ccc(cc4)OC)cc3)ccc1	190
+FC(F)(F)c1c(ccc(CC(=O)Nc2c3c(C(=O)N(CCOC(=O)C)C=C3)ccc2Cl)c1)F	33
+FC(F)(F)c1cc(ccc1)CC(NC(CCCc2ccccc2)=O)C(O)c3ccc(cc3)F	9
+FC(F)(F)c1cc(CC(Nc2ncc(N3CCN(CC3)C(C)=O)cc2)=O)ccc1-c4cc(ncc4)C	498
+FC(F)(F)c1cc(cc(CN2CCN(CC2)C)c1)N	0
+FC(F)(F)c1cc(CNC(Nc2ccc(C=O)c(c2)F)=O)n(-c3cccc(c3)Cl)n1	39
+FC(F)(F)c1cc(cc(c1)CNC(C)C)C(=O)Nc2cc(c(C)cc2)Nc3cc(nn3-c4ncnc(NC)c4)C	67
+FC(F)(F)c1ccc(c(CN(CC)S(=O)(=O)c2ccc3c(cccc3)c2)c1)Oc4cc(ccc4)CC(OC)=O	92
+FC(F)(F)c1cc(cc(c1)COS(=O)(=O)C)-n2c(C)nnn2	7
+FC(F)(F)c1cc(COc2ccc3c(c4c(C(CC(=O)O)CC4)[nH]3)c2)ccc1CC5CCCCC5	3
+FC(F)(F)c1cnc(-c2ccc3N(C(=O)Nc3c2)C(C)C)c(c1)Cl	1019
+FC(F)(F)c1cc(Cl)c(c(c1)Cl)Oc2cc([nH]n2)C	9304
+FC(F)(F)c1cc(c(S(=O)(=O)Nc2cc(Cl)c(c(c2)Cl)Oc3sc4cc(ccc4n3)[N+]([O-])=O)cc1)Cl	1523
+FC(F)(F)c1cc(Cl)c(-c2cc(N)c(NC(C)C)cc2)nc1	0
+FC(F)(F)c1cc(cc(Cl)c1)C(NC)C	1607
+FC(F)(F)c1cccc(c1C=O)Cl	9305
+FC(F)(F)c1cc(Cl)ccc1-c2c(cc(N)c(c2)N)Cl	0
+FC(F)(F)c1cc(ccc1C(C(=O)O)CCCCl)Cl	4
+FC(F)(F)c1cc(ccc1C(CCCCl)C#N)Cl	143
+FC(F)(F)c1c(Cn2nc(c3c2ccc(C=O)c3)Br)ccc(Cl)c1	823
+FC(F)(F)c1cc(Cl)n[nH]1	9306
+FC(F)(F)c1c2c(n[nH]c2I)nc(Cl)c1	4744
+FC(F)(F)c1ccnc(N2C3C(C(O)(c4ccccc4)CC2)CCCC3)c1	43
+FC(F)(F)c1ncnc(N)c1	266
+FC(F)(F)c1cccc(Cn2c3c(c(-c4cccc(C(C)=O)c4)c2C(OCC)=O)cc(cc3)-c5ccc(cc5)OC)c1	9307
+FC(F)(F)c1ccc(-c2ncnc(Nc3cc4cc[nH]c4cc3)c2[N+]([O-])=O)c(F)c1	198
+FC(F)(F)c1ccc(c(c1)F)CCC(NCCCc2cc(C)nn2CC)=O	9
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(c3cc(S(=O)(=O)C)ccc3SCC)=O	30
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(c3cc(ccc3SC)S(=O)(=O)C)=O	30
+FC(F)(F)c1cc(c(c(Cl)c1)-n2c(N)ccn2)F	2257
+FC(F)(F)c1cc(-n2cc(C)nc2)c(c(Cl)c1)[N+]([O-])=O	431
+FC(F)(F)c1cc(F)c(cc1)-c2c3c(n(cn3)-c4ccc(cc4)O)ncn2	5
+FC(F)(F)c1cc(F)c(cc1)C(C2CC2C#N)O	74
+FC(F)(F)c1cc(c(C(c2c3cc(cc(c3[nH]c2)CS(=O)(=O)C)F)C4CC4C#N)cc1)F	2523
+FC(F)(F)c1cc(cc([N+](=O)[O-])c1NC(C)=O)Oc2ccc(cc2)C=O	46
+FC(F)(F)c1cc(F)cc([N+]([O-])=O)c1NC(C)=O	31
+FC(F)(F)c1ccnc(OCC2N(CC(CC2)C)C(c3nc(ccc3-c4ncccn4)C)=O)c1	430
+FC(F)(F)c1cc(-c2cccc(N)c2)c3c(ncn3-c4ccccc4)c1	4745
+FC(F)(F)c1cc(c(C(=O)N)nc1)N	1200
+FC(F)(F)c1cc2nc(nc(O)c2cc1)-c3ccccc3SCC	748
+FC(F)(F)c1ccc2S(=O)(=O)Nc3c4c(cccn4)c(cc3-c2c1)F	1763
+FC(F)(F)c1cc(N)c(S(=O)(=O)Nc2cccc3c(OC)ccnc23)cc1	9308
+FC(F)(F)c1cc-2c(S(=O)(=O)Nc3c-2cc(c4cccnc34)Cl)cc1	1763
+FC(F)(F)c1cc(c2c(c1)-c3ccc4c(c3NS2(=O)=O)nccc4OC)N	9309
+FC(F)(F)c1cc(Br)c2c(c1)[nH]cc2	9310
+FC(F)(F)c1cc(cc(c1)N)CN(C)C	162
+FC(F)(F)c1c(c(Br)ccc1)NC(C)=O	480
+FC(F)(F)c1cc(NC(=O)Oc2ccccc2)n(-c3ccccc3)n1	278
+FC(F)(F)c1cc(NC(NS(=O)(=O)c2sc(CCOC(=O)C)c(c2)C)=O)nc(C(OC)=O)c1	4746
+FC(F)(F)c1cc(ccc1)N2C(=C(C(O)=O)C(NC2=O)c3c(S(=O)(=O)C(C)C)cc(cc3)C#N)C	9311
+FC(F)(F)c1cc(N2C(C)=C(C(c3ccc(cc3[N+]([O-])=O)C#N)NC2=O)C#N)ccc1	4747
+FC(F)(F)c1c(C#N)ccc(c1)N2C(N(C)C(CO)(c3ccc(cc3)F)C2=O)=O	4729
+FC(F)(F)c1cc(N2C(C)=C(C(NC2=O)c3c(cc(cc3)C#N)S(=O)(=O)C(C)C)C#N)ccc1	4747
+FC(F)(F)c1cc(ccc1)N2C(NC(C(C(=O)O)=C2C)c3ccc(cc3)C#N)=O	108
+FC(F)(F)c1cc(N2C(C)=C(C=C(C2=O)C(NCc3ccc(cc3)S(=O)(=O)C)=O)C(=N)NO)ccc1	9312
+FC(F)(F)c1cccc(c1)N2C(C(C(=O)NCc3ccc(cc3)S(=O)(=O)C)=CC=C2C)=O	4748
+FC(F)(F)c1cc(ccc1)N2C=C(O)C(=O)C(c3ccnn3-c4ccccc4)=N2	9313
+FC(F)(F)c1cc(N2CCC(CC2)NCC(c3n(C)c4c(cccc4)n3)O)nc5sc(C(N)=O)c(N)c15	3763
+FC(F)(F)c1c(NC(Cc2ccc(cc2)F)=O)c(Br)cc(c1)N3CCOCC3	26
+FC(F)(F)c1nn(-c2ccccc2)c(c1)NC(=O)Nc3cccc(Sc4ncnc5cc(OC)c(cc45)OC)c3	446
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(-c3cc([N+](=O)[O-])ccc3)c(cc2)C	1762
+FC(F)(F)c1cc(ccc1-n2ccnc2C)NC(=O)c3cc(Nc4nc5c(cccc5)n4-c6cc(ncn6)N)c(C)cc3	1494
+FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)Br)ccc1Cl	648
+FC(F)(F)c1cc(NC(NS(=O)(=O)c2cc(c(CCO)s2)C)=O)nc(C(OC)=O)c1	59
+FC(F)(F)c1cc(c(cc1)C=CC(=O)OC)NCC	530
+FC(F)(F)c1cc(Nc2cc(cc(-c3sc(nc3)C4(O)CCc5c4ccc(C(=O)O)c5)n2)C)ncc1	1
+FC(F)(F)c1c(ccc(c1)Nc2nc(NN)nc(Cl)n2)F	4720
+FC(F)(F)c1cc(cc(Nc2ncc(c(n2)Nc3c(C(=O)NC)cccc3)Cl)c1)N	0
+FC(F)(F)c1c(F)ccc(Oc2ccc(cc2C#N)C=O)c1	46
+FC(F)(F)c1cc(c(CCN)cc1)OC	157
+FC(F)(F)c1cc(OC)ccc1Nc2ccc(c(F)c2)CN	107
+FC(F)(F)c1cc(OC)ccc1Nc2ccc(cc2)CN	107
+FC(F)(F)c1cc(OCC(Cn2nnc3cc(c(cc23)C)N)=NOC)ccc1	0
+FC(F)(F)c1cc(c(C=O)cc1)O	9314
+FC(F)(F)c1c(ccc(c1)O)CC(C(OC)=O)OCC	16
+FC(F)(F)c1c(ccc(OCc2nc(-c3c(F)cccc3)oc2C)c1)CC(C(=O)O)OCC	4
+FC(F)(F)c1cc(c(COS(=O)(=O)C)cc1)Oc2cc(C#N)ccc2	7
+FC(F)(F)c1cc(Oc2cc(C(=O)NN)ccc2)ccc1	296
+FC(F)(F)c1cc(Oc2cc(cc(c2)Sc3ccc(c(c3)C)OCC(=O)O)C#CCN4CCOCC4)ccc1	3
+FC(F)(F)c1cc(Oc2ccc(cc2)CCO)ccc1Cl	1709
+FC(F)(F)c1cc(Oc2ccc(cc2)CO)ccc1Cl	41
+FC(F)(F)c1cc(Oc2ccc(cc2)C=C)ccc1Cl	4749
+FC(F)(F)c1cc(Oc2ccc(cc2)CCNc3ncc(c(O)n3)Cc4cnc(nc4)C)ccc1Cl	785
+FC(F)(F)c1cc(Oc2ccc(cc2)CCI)ccc1Cl	4750
+FC(F)(F)c1cc(Oc2ccc(cc2)CCOC3=NC(N4C(N(CCC4)C)=C3)=O)ccc1Cl	2468
+FC(F)(F)c1cc(Oc2ccc(cc2)CCN)ccc1Cl	157
+FC(F)(F)c1cc(Oc2ccc(cc2)CSc3ncc(CO)c(O)n3)ccc1Cl	897
+FC(F)(F)c1cc(S(=O)(=O)CCSc2ncccc2N)ccc1	13
+FC(F)(F)c1c(ccc(S(=O)(=O)Nc2c(ncc(Cl)c2)C3OC(c4c3c(Cl)ccc4)=O)c1)Cl	2258
+FC(F)(F)c1c(ccc(S(=O)(=O)N(c2cc(Cl)cnc2C(c3c(ccc(c3)-n4cccn4)Cl)=O)COC)c1)Cl	2229
+FC(F)(F)c1cc(cc(c1)S(=O)(=O)N2CC3(C(=O)NCC3)CCC2)C	2471
+FC(F)(F)c1cccc(SC2C(COCC2)c3ccc(cc3)Cl)c1	2254
+FC(F)(F)c1cc(SC2CCOC(c3n(nc(Br)c3)C)C2)ccc1	2254
+FC(F)(F)c1cc(ccc1)SC(C)C2CN(C(=O)C2)Cc3ccc(cc3)OC	4103
+FC(F)(F)c1c(-n2c(ncc2)C)cc(c(c1)[N+]([O-])=O)NC(=O)C(=O)OCC	994
+CC(C)(C)OC(N(C)C1CN(CCC1)c2c(cc(C(F)(F)F)cc2)N)=O	0
+FC(F)(F)c1cc(N)c(N2CCCCC2)c(c1)C(=O)Nc3ccc(c(Cl)c3)Cl	0
+FC(F)(F)c1cc(Br)c(NC)c(N)c1	0
+FC(F)(F)c1cc(cc(-c2cnco2)c1)N	0
+FC(F)(F)c1c(F)c(Cl)cc(N)c1	0
+FC(F)(F)c1cc(cc(N)c1)O	0
+FC(F)(F)c1cc([N+](=O)[O-])cc(-c2ocnc2)c1	2939
+FC(F)(F)c1ccc(Nc2c(OC)cc(c(c2)CC)OC)c(N)c1	0
+FC(F)(F)c1cc(N)c(S(=O)(=O)Nc2c3nccc(c3ccc2Cl)OC)cc1	0
+FC(F)(F)c1c(N)c(cc(c1)N)Br	0
+FC(F)(F)c1cc([N+]([O-])=O)ccc1-c2ncc(cc2)Cn3ncc4nc(nc4c3)-c5c(F)c(ccc5)F	9315
+FC(F)(F)c1cc(N)ccc1-c2ccc(cn2)Cn3ncc4nc(nc4c3)-c5c(F)c(ccc5)F	0
+FC(F)(F)c1cc(C2=Cc3c(c(ncc3N(Cc4ccccc4)C2=O)C(=O)OC)O)ccc1	1510
+FC(F)(F)c1cnc(-c2c(F)cc(Cl)c(c2[N+](=O)[O-])O)c(c1)Cl	31
+FC(F)(F)c1cc(c(cn1)-c2c(Cl)cc(c(S(=O)(=O)N(C)c3ccccc3)c2)OC)C#N	416
+FC(F)(F)c1c(cc(c([N+]([O-])=O)c1)C#N)C	180
+FC(F)(F)c1cc(N)c(c(Br)c1)C#C	75
+FC(F)(F)c1cnc(c([N+]([O-])=O)c1)C(N)=O	862
+FC(F)(F)c1cc2c(nc1)c(nc(-c3ccccc3SCC)n2)O	9316
+FC(F)(F)c1cc(c(C(NC2C(CCC2)N)=O)c(SC)c1)OC	12
+FC(F)(F)c1cc([N+]([O-])=O)c(c(C(=O)O)c1)C	31
+FC(F)(F)c1ccc(c(Cn2nc(nn2)C)c1)C=CC(O)=O	108
+FC(F)(F)c1cc(c(cc1)CCNC(c2ccc(cc2)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl)=O)OC	14
+FC(F)(F)c1cnc(c(Cl)c1)-c2ccc(c(OC)c2)Cl	140
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)[N+]([O-])=O	136
+FC(F)(F)c1cc(cc(I)c1)Cl	480
+FC(F)(F)c1cc2NC(=O)CC(c3ccnc(-c4cnccc4)c3)=Nc2cc1OCC	690
+FC(F)(F)c1ccc2c(c1)NC(=O)N2C3CCC(CC3)O	1019
+FC(F)(F)c1cc(N)c(NC2CCCCC2)cc1	0
+FC(F)(F)c1ccc(c(C=2CCCCC=2c3nc(ccc3)C(=O)OCC)c1)OCc4ccccc4	3061
+FC(F)(F)c1cnc(S)c(c1)N	13
+FC(F)(F)c1cc(c(c(-n2cc(C)nc2-c3c(cncc3)C)c1)[N+]([O-])=O)OC	9317
+FC(F)(F)c1cc(-n2c(nc(c2)C)-c3c(cncc3)C)c(c(c1)OC)N	0
+FC(F)(F)c1cc(N)c(c(c1)C(=O)OC)C	0
+FC(F)(F)c1cc(SC)c(C(=O)NC2(c3ccccc3)CCCN(C(=O)OCc4ccccc4)C2)c(OC)c1	93
+FC(F)(F)c1cc(C(=O)Nc2cc(Cl)c(Cl)cc2)c(c(c1)[N+]([O-])=O)Cl	50
+FC(F)(F)c1cc(F)c(cc1)-c2c3c(ncn2)n(-c4ccc(cc4)OC)cn3	2853
+FC(F)(F)c1ccc(-c2ncnc(Oc3c4c(ccc3)sc(NC(C)=O)n4)c2)c(NC(=O)OC(C)(C)C)c1	4751
+FC(F)(F)c1cc(c(cc1)-c2c3c(cc(cc3)S(=O)(=O)Nc4nccs4)n(C)c2)-c5n(ncc5)C	4752
+FC(F)(F)c1cc(C=O)c(Br)cc1	39
+FC(F)(F)c1cc(c(cc1)Br)SC2CC(c3ccc(cc3)Cl)OCC2	2254
+FC(F)(F)c1cc(F)c(C(=O)Nc2cc(O)ncc2)cc1	104
+FC(F)(F)c1cc(F)c(cc1)C(=O)NCCn2cc(nc2)C(OC)=O	14
+FC(F)(F)c1ccc(C)c(c1)N	0
+FC(F)(F)c1ccc(C=CC(O)=O)c(c1)NCC	127
+FC(F)(F)c1cc(c(cc1)CCNC(c2ccc(cc2)Oc3cc4OCCC(c4cc3Cl)C(O)=O)=O)OC	3
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CNc3ccccc3)CC2C)=O	93
+FC(F)(F)c1ccc(Oc2c(OC)ccc(CC(=O)OCC)c2)c(c1)C=O	46
+FC(F)(F)c1cc(OC(F)F)c(cc1)Oc2cc3occc3cc2	46
+FC(F)(F)c1ccc(I)c(c1)CO	611
+FC(F)(F)c1cc(c(cc1)N(CC2CCC(CC2)CC(=O)OCC)CC)CO	41
+FC(F)(F)c1cc(NC(=O)C2CCC3(CC2)CC(=O)N(c4ccccc4)C3)c(N)cc1	33
+CC(C)(C)[Si](C)(C)OC1CCCN(C1)c2ccc(C(F)(F)F)cc2N	0
+FC(F)(F)c1cc(NC(=O)c2ccncc2)c(N3c4c(cccc4)CC3)cc1	50
+FC(F)(F)c1cc(c(NC2CCC(CC2)O)cc1)N	0
+FC(F)(F)c1ccc(O)c(c1)C(=O)C=CN(C)C	277
+FC(F)(F)c1cc(c(cc1)OCc2ccccc2)CO	22
+FC(F)(F)c1ccc(O)c(Cn2ncnc2)c1	9318
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)O	3
+FC(F)(F)c1cc(c(cc1)O)CO	241
+FC(F)(F)c1ccc(c(c1)CN=[N+]=[N-])OCc2ccccc2	925
+FC(F)(F)c1ccc(Oc2cccc(CC(O)=O)c2)c(c1)CN(S(=O)(=O)c3ccc(cc3)Cl)C	92
+FC(F)(F)c1cc(Cl)c(cc1)S(=O)(=O)Nc2cc(Cl)c(c(Cl)c2)O	69
+FC(F)(F)c1ccc(c([N+]([O-])=O)c1)S(=O)(=O)Nc2c3c(c(cc2)F)cccn3	322
+FC(F)(F)c1ccc(S(=O)(=O)Nc2ccc(c3cccnc23)Cl)c([N+]([O-])=O)c1	322
+FC(F)(F)c1cc([N+]([O-])=O)c(cc1)S(=O)(=O)Nc2c3nccc(c3ccc2Cl)OC	322
+FC(F)(F)c1cc(C2CCN(CC2)C(=O)OC(C)(C)C)c(cc1)Sc3ccc(cc3)Cl	564
+FC(F)(F)c1ccc(cc1C)C#N	480
+FC(F)(F)c1cc([N+](=O)[O-])c(N)cc1-n2ccnc2C	2067
+FC(F)(F)c1cc(c(cn1)-c2c(cc(O)c(S(=O)(=O)N(c3ccccc3)C)c2)Cl)C#N	5
+FC(F)(F)c1cc(C#N)c(cn1)-c2ccc(cc2Cl)OC	89
+FC(F)(F)c1ncc(c(N)c1)I	1724
+FC(F)(F)c1cnc(c(c1)C(=O)N)Cl	3454
+FC(F)(F)c1cc(c(S)nc1)[N+](=O)[O-]	9319
+FC(F)(F)c1cc(c(C#N)nc1)[N+](=O)[O-]	1958
+FC(F)(F)c1ccc2c(c1)-c3ccc4c(nccc4OC)c3NS2(=O)=O	480
+FC(F)(F)c1cc(c2cc(-c3cc4ccccc4o3)ccc2n1)O	3062
+FC(F)(F)c1cc(Cl)c2nc(C(NS(=O)(=O)c3c(ccc(CC)c3)Cl)=O)cn2c1	9320
+FC(F)(F)c1cc(cc(N)c1)-c2nnc(o2)C	0
+FC(F)(F)c1cc(cc(Br)c1)C(N(C)CC(c2ccc(cc2)F)CC=O)=O	465
+FC(F)(F)c1cc(cc(N(C)C)c1)C=O	9321
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2CCc3nc(CN)ccc3C2c4ccc(cc4)F)C	421
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2C(c3c(nc(C#N)cc3)CC2)c4ccc(cc4)F)C	9322
+FC(F)(F)c1cc(-c2ccc(cc2)C#N)cc(CO)c1	11
+FC(F)(F)c1cc(cc(c1)I)C=O	39
+FC(F)(F)c1cc(cc(CO)c1)I	9323
+FC(F)(F)c1cc(cc(COC(=O)C)n1)CC	174
+FC(F)(F)c1cc(cc(n1)CO)CC	59
+FC(F)(F)c1cc(cc(COCC2(CCNCC2)c3ccc(F)cc3Br)c1)-c4ccc(cc4)C#N	2
+FC(F)(F)c1cc(cc(Cl)c1)Oc2ccc(cc2)CCO	1709
+FC(F)(F)c1cc(cc(Cl)c1)Oc2ccc(cc2)CCOC(N)=N	4753
+FC(F)(F)c1cc(cc(Oc2ccc(cc2)CCOc3ncc(c(n3)O)Cc4cnc(nc4)OC)c1)Cl	3063
+FC(F)(F)c1cc(cc(Cl)c1N)C(O)CN(Cc2ccccc2)CCCCCCOCCc3ncccc3	4754
+FC(F)(F)c1c(N)c(cc(C(O)CNCCCCCCOCCc2ncccc2)c1)Cl	25
+FC(F)(F)c1cc(N)cc(Cl)c1N	0
+FC(F)(F)c1cc(cc(N(C)C)c1)C=C[N+]([O-])=O	417
+FC(F)(F)c1cc(C=2CCN(CC=2)C)cc(N)c1	352
+FC(F)(F)c1cc(O)cc(I)c1	158
+FC(F)(F)c1cc(cc(c1)O)N=C(N)N	4755
+FC(F)(F)c1cc(Nc2ncc(c(Nc3c(C(=O)NC)cccc3)n2)Cl)cc([N+](=O)[O-])c1	55
+FC(F)(F)c1cc(cc(N)c1)CCCN2CCOCC2	106
+FC(F)(F)c1cc(cc(c1)[N+](=O)[O-])CO	49
+FC(F)(F)c1cc(C(=O)N(OC)C)cc([N+](=O)[O-])c1	280
+FC(F)(F)c1cc([N+](=O)[O-])cc(O)c1	5
+FC(F)(F)c1cc(cc(c1N)N)Cl	0
+FC(F)(F)c1cc(Oc2c(Cl)ccc(CN)c2F)cc(c1)C#N	1551
+FC(F)(F)c1cc(cc(-c2nnc(o2)C)c1)[N+]([O-])=O	2959
+FC(F)(F)c1cc(Cl)cc(c1)C(=O)C	1024
+FC(F)(F)c1cc(cc(CO)c1)N	0
+FC(F)(F)c1cc(N)cc(C(=O)N(C)C)c1	0
+FC(F)(F)c1c(c(Cl)cc(C=O)c1)N	39
+FC(F)(F)c1cc(cc(C=O)n1)CC	178
+FC(F)(F)c1nc(Cl)cc(CSC)c1	1672
+FC(F)(F)c1cccc(-c2c3OC(Cc3ccc2)CN=[N+]=[N-])c1	254
+FC(F)(F)c1cc(ccc1)-c2cc(ccc2OCC(=O)O)C(C)N(C)S(=O)(=O)c3ccc(cc3)F	4
+FC(F)(F)c1cc(ccc1)-c2cc(C(C)N(C)S(=O)(=O)c3ccc(cc3)F)ccc2OCC(OC)=O	92
+FC(F)(F)c1cc(-c2cc3c(cc2)nccc3SC4(CCC4)C(=O)O)ccc1	3
+FC(F)(F)c1cc(-c2ccc(c(n2)C)CO)ccc1	88
+FC(F)(F)c1cccc(-c2nnc3c(C(OC(=O)Oc4ccccc4)CC(C3)C)c2)c1	405
+FC(F)(F)c1cc(ccc1)-n2cc(N)nc2	1901
+FC(F)(F)c1cc(-c2[nH]c(C3CCC(CC3)CNC(OCc4ccccc4)=O)nc2)ccc1	2841
+FC(F)(F)c1cccc(C(Nc2ccc(c(C(O)=O)c2)Cl)=O)c1	50
+FC(F)(F)c1cc(C(NCC(O)=O)=O)ccc1	946
+FC(F)(F)c1cccc(c1)C(Nc2c(C)cc(C)c(Br)c2C)=O	50
+FC(F)(F)c1cccc(c1)C(Nc2cc(c(C)nc2)I)=O	660
+FC(F)(F)c1cc(C(Nc2ccnc(c2)Cl)=O)ccc1	50
+FC(F)(F)c1cccc(C(Nc2cc(c(F)cc2)[N+](=O)[O-])=O)c1	50
+FC(F)(F)c1cccc(C(=O)Nc2cc(ccc2)C(=O)OC)c1	50
+FC(F)(F)c1cc(C(NC2C(CN(CCNc3ncccn3)CC2)O)=O)ccc1	93
+FC(F)(F)c1cc(ccc1)CC2NC(OC2c3ccc(cc3)F)=O	3064
+FC(F)(F)c1cc(ccc1)CC(C(=O)O)C(c2ccc(cc2)F)O	3
+FC(F)(F)c1cc(ccc1)CC(C(=O)OCC)C(c2ccc(cc2)F)O	2261
+FC(F)(F)c1cc(CC(N)C(c2ccc(cc2)F)O)ccc1	886
+FC(F)(F)c1cc(ccc1)-n2cc([N+]([O-])=O)nc2	1444
+FC(F)(F)c1cccc(c1)N2CCC(C2=O)C(=O)O	9324
+FC(F)(F)c1cccc(c1)NC(c2cc(sc2C)S(=O)(=O)Cl)=O	1899
+FC(F)(F)c1cc(ccc1)Nc2c3[nH]cnc3nc(n2)Cl	1185
+FC(F)(F)c1cc(ccc1)Nc2nccc3c([N+]([O-])=O)c(C)ccc23	201
+FC(F)(F)c1cc(ccc1)Nc2nccc3c(c(ccc23)C)I	201
+FC(F)(F)c1cc(ccc1)NC(=O)c2ccc(cc2)[N+](=O)[O-]	50
+FC(F)(F)c1cccc(NC(=O)C2CCN(CC2)c3nsnc3OCc4ccncc4)c1	33
+FC(F)(F)c1cc(N2C(=O)NC(c3c(cc(C#N)cc3)S(=O)(=O)C(C)C)C(=C2C)C(N)=O)ccc1	3053
+FC(F)(F)c1cccc(N2C(=O)C(COS(=O)(=O)C)CC2)c1	7
+FC(F)(F)c1cc(ccc1)N2C=3CCCC(=O)C=3C(N(CC(O)=O)C2=O)c4ccc(cc4)C#N	4
+FC(F)(F)c1cc(ccc1)N2C(N(C(C(C#N)=C2C)c3c(N)cc(cc3)C#N)C)=O	0
+FC(F)(F)c1cc(ccc1)N2C(=C(C(c3c(cc(cc3)C#N)C(O)=O)N(C)C2=O)C(=O)OCC)C	1
+FC(F)(F)c1cc(ccc1)N2C(=O)C(CO)CC2	4756
+FC(F)(F)c1cc(N2C(=C(C(NC2=O)c3ccc(cc3[N+](=O)[O-])C#N)C(=O)N)C)ccc1	3053
+FC(F)(F)c1cc(N2C(C(C(=O)NCc3ccc(cc3)S(=O)(=O)C)=CC(C#N)=C2C)=O)ccc1	9325
+FC(F)(F)c1cc(N2CCN(CC2)CCn3c4c(cc3)C(CCC4)=O)ccc1	9326
+FC(F)(F)c1cc(N2CCNCCC2)ccc1	2
+FC(F)(F)c1cccc(c1)N2CCN(CC2)CCN3C(=Nc4ccccc4C3=O)CC	53
+FC(F)(F)c1cc(N2CCN(CC2)CCC3CCC(CC3)Nc4ncccn4)ccc1	28
+FC(F)(F)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3cccc(C(F)(F)F)c3	124
+FC(F)(F)c1cccc(NC(Nc2ccc(cc2)-c3c4c(nn(C)c4cnc3)N)=O)c1	124
+FC(F)(F)c1cccc(NC(N(C)C(C=2N(c3ccc(cc3)F)C(C=CN=2)=O)C)=O)c1	326
+FC(F)(F)c1cc(NC(=S)NN)ccc1	4757
+FC(F)(F)c1cccc(NC(Cc2nc(N)sc2)=O)c1	2427
+FC(F)(F)c1cccc(c1)NC(Cc2nc(sc2)NC)=O	2427
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(-c3cccc(N)c3)c(cc2)C	0
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(c(cc2)C)-c3cc(ccc3)Nc4ncccc4Br	201
+FC(F)(F)c1cc(ccc1)NC(c2ccc(cc2)N)=O	0
+FC(F)(F)c1cccc(N2C(=O)NC(C3=C2CCCC3=O)c4c(cc(cc4)C#N)SC)c1	3065
+FC(F)(F)c1cccc(c1)N2C3=C(C(NC2=O)c4ccc(cc4)Br)C(C(C)(C)CC3)=O	9327
+FC(F)(F)c1cccc(c1)N2C=3CCC(=O)C=3C(NC2=O)c4ccc(Br)cc4S(=O)(=O)C	4758
+FC(F)(F)c1ccc([N+](=O)[O-])c(O)c1	31
+FC(F)(F)c1cccc(c1)Oc2ccc(cc2C#N)C=O	46
+FC(F)(F)c1cccc(Oc2c3c(c(ccc3)[N+](=O)[O-])ncn2)c1	185
+FC(F)(F)c1cccc(Oc2nccc3c(c(C)ccc23)I)c1	136
+FC(F)(F)c1cc(ccc1)Oc2cccc(OCc3ccsc3)n2	136
+FC(F)(F)c1cc(ccc1)Oc2cc(Br)cc(Sc3cc(c(cc3)OCC(=O)OCC)C)c2	1336
+FC(F)(F)c1cc(S(=O)(=O)Oc2cc(C)cc(O)c2)ccc1	16
+FC(F)(F)c1cc(ccc1-c2c(C)c(C(O)=O)c[nH]2)F	1
+FC(F)(F)c1cc(ccc1-c2c(C)c(c[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)C)F	246
+FC(F)(F)c1c(ccc(C2CC2)c1)-c3cc(CCO)on3	365
+FC(F)(F)c1c(-c2cscc2C)ccc(-c3nc(no3)-c4ccccc4OC)c1	910
+FC(F)(F)c1cc(Cl)ccc1-c2cc([N+](=O)[O-])c(N)cc2Cl	134
+FC(F)(F)c1cc(ccc1Br)NC(=O)Nc2ccc(cc2)Oc3ncnc(c3)NC	40
+FC(F)(F)c1cc(ccc1C#N)-n2nnnc2CN3CCNCC3	2
+FC(F)(F)c1cc(ccc1C#N)-n2nnnc2CN3CCN(CC3)S(=O)(=O)CCC	112
+FC(F)(F)c1c(c(F)ccc1C#N)I	184
+FC(F)(F)c1cc(N(CC)C2CC(CCC2)n3c(CCc4cccnc4)cnc3)ccc1C#N	9328
+FC(F)(F)c1cc(ccc1C#N)Oc2ccc(cc2)-c3nc(cc(n3)C(N)=O)C=C	1134
+FC(F)(F)c1cc(Cl)ccc1C(CCCCl)C(N)=O	83
+FC(F)(F)c1c(CN2CCN(CC2)CC)ccc(N)c1	162
+FC(F)(F)c1c(CO)ccc(I)c1	49
+FC(F)(F)c1c(Cn2ncc3cc(ccc23)C=O)ccc(c1)F	823
+FC(F)(F)c1c(CN2CCN(CC2)C)ccc(C(=O)Nc3ccc(c(I)c3)C)c1	67
+FC(F)(F)c1c(Cl)ccc(C=2C=C(OCc3ccccc3)C(=O)N(C(C)C)C=2)c1	9329
+FC(F)(F)c1c(Cl)ccc(S(=O)(=O)Nc2cc(C)cnc2Br)c1	322
+FC(F)(F)c1c(ccc(c1)N2CCOCC2)Nc3ncnc4c3cc(cc4)I	73
+FC(F)(F)c1c(c(cc(Cl)c1)[N+](=O)[O-])NC(C)=O	31
+FC(F)(F)c1cc(Br)ccc1OCc2ccccc2	139
+FC(F)(F)c1cc(C=O)ccc1OCc2ccccc2	22
+FC(F)(F)c1c(OCC)ccc(-c2nc(c(c(N)c2)[N+](=O)[O-])C#N)c1	140
+FC(F)(F)c1cc(ccc1OCC2CC2)COc3ccc4c(c5c(C(CC(=O)O)CC5)[nH]4)c3	3
+FC(F)(F)c1c(OCC2CCN(CC2)C)ccc(NC(Nc3ccc(cc3)Oc4cc(Cl)ncn4)=O)c1	124
+FC(F)(F)c1c(OCCC2CCN(CC2)C(=O)OC(C)(C)C)ccc(-c3cc4n(nnc4c(C#N)n3)C)c1	2259
+FC(F)(F)c1cc(B(O)O)ccc1OCCCOC2CCCCO2	579
+FC(F)(F)c1cc(ccc1OCCCNC)-c2nc(C#N)c3ncn(C)c3c2	285
+FC(F)(F)c1cc(F)ccc1OCCN2C(C=3N(CC2)C(=O)C(n4cc(nc4)C)=CC=3)=O	3055
+FC(F)(F)c1cc(-c2nc(C#N)c3ncn(C)c3c2)ccc1OCCOS(=O)(=O)C	7
+FC(F)(F)c1c(ccc(c1)N)OCCOCc2ccccc2	0
+FC(F)(F)c1nccc(C2(c3cccc(O)c3)NC(=N)c4c2cc(Cl)cc4F)c1	5
+FC(F)(F)c1cc(ccn1)N2C3=C(C(c4ccc(cc4C(O)=O)C#N)N(C2=O)C)C(CC3)=O	1
+FC(F)(F)c1cc(ccn1)Oc2ccc(cc2)N	0
+FC(F)(F)c1cc(-c2occc2)cn3c(Cl)c(C(N4C(CN(C)CC4)c5ccccc5)=O)nc13	777
+FC(F)(F)c1cc(cn2c(Cl)c(C(O)=O)nc12)-c3ccco3	6
+FC(F)(F)c1cc(C#N)cnc1N2CCOCC2	1684
+FC(F)(F)c1cc(cs1)CO	9330
+FC(F)(F)c1nn(-c2cc(c(cc2)F)F)c(c1)CNC(Nc3cc(c(N4CC(C4)O)cc3)F)=O	238
+FC(F)(F)c1cc(C(=O)O)n(-c2ccc(cc2)[N+]([O-])=O)n1	1
+FC(F)(F)c1cc(n(-c2cccc(c2)Cl)n1)CNC(Nc3ccc(C(=O)N)nc3)=O	862
+FC(F)(F)c1nn(C)c(C)c1Cl	1188
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3nc(C#Cc4ccc(cc4)OC)cs3)n1)C	1800
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(C=4CC(ON=4)c5cccc(-n6ncnc6)c5)n3)n1)C	4717
+FC(F)(F)c1c(Cl)c(n(-c2cnc(S(=O)(=O)N)cc2)n1)-c3ccc(cc3)Br	697
+FC(F)(F)c1cc(n(n1)C)Oc2cccc(CNC)n2	695
+FC(F)(F)c1cc(Oc2nc(CN)ccc2)n(n1)C	421
+FC(F)(F)c1nn(CC(O)=O)c(Cl)c1	3
+FC(F)(F)c1cc(nc(-c2ccncc2)n1)Nc3c(ccc(c3)N)C	0
+FC(F)(F)c1cc(Nc2cc(NC(=O)c3ccc(cc3)CCl)ccc2C)nc(-c4ccncc4)n1	50
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(=O)C3(CCC(C3)N)C(C)C	12
+FC(F)(F)c1cc(nc(c1C(O)=O)Cl)Cl	4598
+FC(F)(F)c1cc(NCc2ncccc2)nc(c1Cl)Cl	395
+FC(F)(F)c1cc(nc(c1)C(N)=O)F	4709
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1)c(cn2)C(O)=O	1
+FC(F)(F)c1c2ccc3n(cc(C(=O)OC)n3)c2nc(O)c1	4759
+FC(F)(F)c1cc(ncc1)-n2nc(c(c2)CCCO)C(C)C	44
+FC(F)(F)c1cc(ncc1)-n2cc(CCCOc3c(cccc3OC)CC(O)=O)c(C(C)C)n2	4
+FC(F)(F)c1cc(ncc1)-n2cc(CCCOc3c(OC)cccc3CC(OC)=O)c(C(C)C)n2	126
+FC(F)(F)c1ccnc(CNC(=O)c2nnn(CC(CCc3sc(NC(=O)Cc4ccccn4)nn3)F)c2)c1	312
+FC(F)(F)c1ccnc(NC(=O)c2cc(N)c([N+]([O-])=O)cn2)c1	4760
+FC(F)(F)c1cc2nc(cn2cc1)-c3c(cccc3)S(=O)(=O)CC	440
+FC(F)(F)c1cc(ncc1)Nc2nc(Br)cc(c2)[N+]([O-])=O	834
+FC(F)(F)c1cc(ncc1)Nc2nc(-c3scnc3)cc(C)c2	2332
+FC(F)(F)c1ccnc(Nc2cc(cc(Br)n2)N)c1	0
+FC(F)(F)c1c(CO)cnc(Nc2ccc(cc2Cl)Cl)c1	4051
+FC(F)(F)c1c(c2CCC(N3C(C(=O)Nc(c1)c23)=O)P(OCC)(OCC)=O)[N+]([O-])=O	2166
+FC(F)(F)c1c(F)cc2C(CC(C)Nc2c1)=O	2931
+FC(F)(F)c1c(C)cc2c(c1)N(CCCC2O)C(=O)OC(C)(C)C	74
+FC(F)(F)c1c(cc2C(N)CCCN(C(OC(C)(C)C)=O)c2c1)C	18
+FC(F)(F)c1c(O)cc2c(c1)NCC2	5
+FC(F)(F)c1nn2c(COC)ccc(C(CC)=O)c2c1	716
+FC(F)(F)c1cc2c(cc1)N(C(CN2C(c3ccc(Cl)c(c3)Cl)c4nnn[nH]4)CC)C(=O)OCC	420
+FC(F)(F)c1c(cc2NC(=O)C(=O)N(OCc3ccccc3)c2c1)-n4c(C)ncc4	4761
+FC(F)(F)c1cc2c([nH]1)ncc(c2)CNc3cc(ncn3)C(=O)C	40
+FC(F)(F)c1ccc2nc(cc(OCc3ccc(cc3)OC)c2c1)C(=O)OCC	139
+FC(F)(F)c1cc2c(cc1)CCN(C(c3nn4cc(cnc4c3)Br)=O)C2C	147
+FC(F)(F)c1ccc2c(nc(-c3ccccc3SCC)nc2c1)N	266
+FC(F)(F)c1ccc2c(c1)n(cc2)C(C)(C)C(=O)N3CCN(c4ccc(cc4)S(=O)(=O)Nc5sccn5)C(=O)C3	348
+FC(F)(F)c1cc2c(cc1)nccc2OCCCCCOC3=COC(COS(=O)(=O)C)=CC3=O	2178
+FC(F)(F)c1cc2[nH]cc(C)c2cc1OC	4762
+FC(F)(F)c1cc2c(cc1OC)c(C)c([nH]2)C(O)=O	6
+FC(F)(F)c1nn2c(c(C=O)ccc2I)c1	200
+FC(F)(F)c1cc(Br)c2c(c1)cc(s2)C(=O)O	1
+FC(F)(F)c1cc2c(ccc(OC)n2n1)C(CC)=O	716
+FC(F)(F)c1cc2c(c(N)c1N(C)C)n(CC)c(n2)C	13
+FC(F)(F)c1ccc2oc(nc2c1)-c3ccncc3-c4cccnc4	4763
+FC(F)(F)c1cc2ncc(c(OCCCCCOC3=COC(COS(=O)(=O)C)=CC3=O)c2cc1)C(=O)OCC	2178
+FC(F)(F)c1c(C(OC)=O)n(cc1)-c2ccc(cc2)Cl	4412
+FC(F)(F)c1ccc(-c2c(OC)ccc(CC(O)=O)c2)c(CN(CC)C(NCc3ccc(cc3)Cl)=O)c1	3
+FC(F)(F)c1ccc(cn1)-c2c(cnc(c2)CN3C(=O)c4ccccc4C3=O)Cl	2181
+FC(F)(F)c1ccc(-c2c3NC(N(c4ccc(cc4)O)c3ncn2)=O)c(F)c1	5
+FC(F)(F)c1ccc(-c2cc(ccc2OC)CC(=O)N)c(CN(CC)C(C3CC3)=O)c1	527
+FC(F)(F)c1cc(CN)c(-c2c(OC)ccc(c2)C(C)C)cc1	9331
+CC(C)(C)C(Nc1c(ccc(-c2nc3n(cc(-c4ccccc4F)cc3)c2)c1)C(F)(F)F)=O	89
+FC(F)(F)c1cc(c(cc1)-c2ncnc(Nc3cc4cc[nH]c4cc3)c2N)F	193
+FC(F)(F)c1cc(c(cc1)-c2c(N)c(ncn2)Nc3ccc(cc3)OC)F	193
+FC(F)(F)c1ccc(c(c1)N)-c2cc(ncn2)Oc3c4c(ccc3)sc(NC(C)=O)n4	78
+FC(F)(F)c1ccc(-c2nnc(cc2)NC(=O)c3ccc(cc3)Oc4cc5OCCC(c5cc4Cl)C(O)=O)c(Cl)c1	3
+FC(F)(F)c1c(cc(cc1)-n2c(CO)nnn2)C#N	59
+FC(F)(F)c1ccc(-c2nnc(cc2)NC(=O)c3ccc(cc3)Oc4c(cc5C(C(OCC)=O)CCOc5c4)Cl)c(Cl)c1	519
+FC(F)(F)c1ccc(c(OC)c1)-c2nc(cc3cc(ccc23)S(=O)(=O)N(Cc4ccc(cc4)OC)c5nccs5)Cl	119
+FC(F)(F)c1cc(c(Br)cc1)Cn2nc(nn2)C	4764
+FC(F)(F)c1cc(c(cc1)Br)S	3066
+FC(F)(F)c1ccc(Br)c(S(=O)(=O)NC)c1	71
+FC(F)(F)c1ccc(-c2ccc(c(c2)F)N)cc1F	2111
+FC(F)(F)c1ccc(cn1)C=C	3067
+FC(F)(F)c1nc(c(cc1)C#N)-c2cc(C)ccc2	140
+FC(F)(F)c1ccc(cc1F)C(O)CBr	74
+FC(F)(F)c1cc(c(cc1)C(=O)Nc2ccnc(c2)OC)F	50
+FC(F)(F)c1ccc(cc1OC)C=O	760
+FC(F)(F)c1ccc(c(c1)OCC)C(N(OC)C)=O	280
+FC(F)(F)c1c2NC(N(c2c(cc1)C(CC)CC)C)=O	191
+FC(F)(F)c1cc(NCC)c(C=O)cc1	760
+FC(F)(F)c1ccc(C(O)=O)c(C2CC2)c1	1
+FC(F)(F)c1ccc(C(=O)O)c(c1)OCC	6
+FC(F)(F)c1cc(F)c(CCC(O)=O)cc1	159
+FC(F)(F)c1ccc(C=CC(=O)O)c(c1)OCC	127
+FC(F)(F)c1nc(Cl)c(C=CC(O)=O)cc1	127
+FC(F)(F)c1cc(OC)c(CC[N+]([O-])=O)cc1	364
+FC(F)(F)c1ccc(CC[N+]([O-])=O)c(C2CC2)n1	3068
+FC(F)(F)c1ccc(C=O)c(c1)Oc2cc(C#N)ccc2	46
+FC(F)(F)c1ccc(C=C[N+](=O)[O-])c(c1)OC	417
+FC(F)(F)c1ccc(C=CC(=O)OC)c(OCC)c1	530
+FC(F)(F)c1cc(Oc2cc(C#N)ccc2)c(CO)cc1	41
+FC(F)(F)c1nc(c(CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)cc1)C5CC5	14
+FC(F)(F)c1ccc(CCN)c(n1)C2CC2	157
+FC(F)(F)c1oc(CN2c3ccccc3C(O)(c4cc5c(cc4O)OCO5)C2=O)cc1	3746
+FC(F)(F)c1ccc(CN2C(=O)C(O)(c3ccccc23)c4nc5OCOc5cc4O)o1	9332
+FC(F)(F)c1oc(CN2c3ccccc3C(c4c(O)cc5OCOc5n4)C2=O)cc1	4765
+FC(F)(F)c1nc(CO)c(CN2C(=O)N3C=CC(c4ccc(cc4)Cl)=C(c5ccncc5)C3=N2)cc1	59
+FC(F)(F)c1ccc(o1)CN2C(=O)C(c3c(O)ccc(OC)n3)c4c(Br)cccc24	4765
+FC(F)(F)c1ccc(o1)CN2c3cccc(Br)c3C4(c5c(ccc(n5)OC)OC4)C2=O	9333
+FC(F)(F)c1ccc(c(-c2c(cc([nH]2)-c3ccnc(n3)N)C(=O)O)c1)Cl	6
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)C(C)=O)=O	86
+FC(F)(F)c1ccc(Cl)c(C(NC2CCC(CC2)C(C)O)=O)c1	684
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CNc3cncc(c3)C)=O	839
+FC(F)(F)c1ccc(Sc2ccc(cc2)NC(=O)C)c(c1)[N+](=O)[O-]	825
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CO)=O	21
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)C(=O)O)=O	4
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COC)=O	21
+FC(F)(F)c1ccc(Cl)c(C(NC2CCC(CC2)C(Nc3ccccc3)C)=O)c1	231
+FC(F)(F)c1ccc(Cl)c(C(NC2CCC(CC2)C=O)=O)c1	24
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COS(=O)(=O)C)=O	7
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CO)=O	88
+FC(F)(F)c1nnc(Oc2cc(ccc2C=CC(=O)OCC)OCCOC)cc1	1119
+FC(F)(F)c1ccc(Cn2ncc3c(cccc23)[N+](=O)[O-])nc1	9334
+FC(F)(F)c1ccc(nc1)Cn2c3c(cn2)c(N)ccc3	0
+FC(F)(F)c1ccc(F)c(-c2noc(c2C(O)c3cccnc3)-c4cc(Cl)ccc4)c1	9335
+FC(F)(F)c1cc(Br)c(cc1)Oc2cc(c(cc2)C)Oc3ccc(c(C)c3)CCC(=O)OCC	46
+FC(F)(F)c1cc(c(I)c(C)c1)[N+]([O-])=O	31
+FC(F)(F)c1ccc(c(O)c1)NC(Nc2ccccc2)=O	124
+FC(F)(F)c1cc(I)c(N)c(c1)C(=O)OC	235
+FC(F)(F)c1ccc(N2C(CN(Cc3c(-c4[nH]c5ccncc5n4)n[nH]c3)CC2)C)nc1	9336
+FC(F)(F)c1ccc(N2CCC(OS(=O)(=O)C)C2)nc1	7
+FC(F)(F)c1ccc(N2CCCCC2)c(NS(=O)(=O)c3ccc(cc3)C)c1	69
+FC(F)(F)c1ccc(N2CCCCC2)c(N)c1	0
+FC(F)(F)c1ccc(N2CCN(Cc3cn[nH]c3CO)CC2C)nc1	194
+FC(F)(F)c1ccc(N2C(CN(Cc3c[nH]nc3C=O)CC2)C)nc1	178
+FC(F)(F)c1ccc(nc1)N2CCN(Cc3c[nH]nc3-c4ccc5c(C(NC(=O)O5)=O)c4)CCC2	678
+FC(F)(F)c1cc(c(cc1)N2c3ccccc3CC2)N	0
+FC(F)(F)c1ccc2N=C(c3cc(ccc3)-c4c(cc(nc4)C5CC5)C)CC(=O)Nc2c1	690
+FC(F)(F)c1ccc(Nc2ccc(nc2)-c3ccc(cc3)C4CCC(CC4)CC(O)=O)cn1	4
+FC(F)(F)c1cc2nc(oc2cc1)-c3c(I)cncc3	3069
+FC(F)(F)c1cc2c(oc(-c3ccnc(Cl)c3)n2)cc1	3069
+FC(F)(F)c1cc(c(cc1)O)C(=O)C	5
+FC(F)(F)c1ccc(OCCCOc2c(cc(cc2Cl)O)I)nc1	818
+FC(F)(F)c1cc(c(OCc2c(F)cc(F)cc2)cc1)-c3c(cccc3)-c4ccc(cc4C(OC)=O)NC(=O)C	11
+FC(F)(F)c1ccc(c(-c2ccc(N)cc2Cl)c1)OCc3ccccc3	11
+FC(F)(F)c1cc(-c2ccccc2-c3ccc(NC(C)=O)cc3C(=O)OCC)c(OCc4ccccc4)cc1	11
+FC(F)(F)c1cc(c(cc1)Oc2c(OC)ccc(CC(=O)OCC)c2)CNC3C(O)Cc4c3cccc4	42
+FC(F)(F)c1ccc(Oc2cc(Sc3cc(c(cc3)OCC(=O)OCC)C)cc(c2)Br)nc1	1336
+FC(F)(F)c1cc(c(cc1)Oc2cccc(CC(O)=O)c2)CNC	42
+FC(F)(F)c1ccc(nc1)Oc2cc(cc(C)c2)CP(OCC)(OCC)=O	1060
+FC(F)(F)c1ccc(Oc2cc(Sc3ccc(OCC(=O)O)c(C)c3)cc(C#CCN4CCOCC4)c2)nc1	3
+FC(F)(F)c1ccc(c(CO)c1)Oc2cccc(c2)C(C(=O)O)C	41
+FC(F)(F)c1ccc(Oc2cc3ccc(C(O)=O)nc3cc2)cn1	1
+FC(F)(F)c1ccc(Oc2ccc(cc2)C=C)cn1	443
+FC(F)(F)c1ccc(cn1)Oc2ccc(cc2)CCOC(=N)N	4753
+FC(F)(F)c1ccc(nc1)Oc2ccc(cc2)OC(C)CO	44
+FC(F)(F)c1cc(N)c(S(=O)(=O)Nc2ccc(c3cccnc23)Cl)cc1	0
+FC(F)(F)c1cc(N)c(Sc2ccc(cc2)NC(=O)C)cc1	0
+FC(F)(F)c1ccc(N)c(O)c1	0
+FC(F)(F)c1cc(-c2c(C(N)=O)cc([nH]2)-c3ccnc(n3)N)c(Cl)cc1	393
+FC(F)(F)c1cc(-c2ccc(cc2Cl)N)c(O)cc1	16
+FC(F)(F)c1cc(c(cc1)-c2cn(C)c3cc(ccc23)S(=O)(=O)Oc4c(F)c(F)c(c(F)c4F)F)-c5n(ncc5)C	550
+FC(F)(F)c1ccc(I)c(c1)C	1252
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2ccc(c(CO)c2)Cl	98
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2cc(C=O)c(Cl)cc2	39
+FC(F)(F)c1ccc(C=C[N+]([O-])=O)c(C2CC2)n1	4766
+FC(F)(F)c1ccc(O)c(C=2CCCCC=2c3cccc(C(=O)OCC)n3)c1	16
+FC(F)(F)c1ccc(c(c1)CO)-c2cc(-c3ccc(C(=O)OC)cc3C)ccc2OC	9337
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)Nc2cc(Cl)c(OCC(OCC)OCC)cc2	33
+FC(F)(F)c1nc(c(cc1)-c2nccc(c2)CNC(=O)C3CC(F)CN3S(=O)(=O)c4ccc(cc4)F)NC	182
+FC(F)(F)c1ccc(O)c(NC(=O)c2ccncc2I)c1	67
+FC(F)(F)c1cc(c(OC)cc1)NC(Nc2ccc(cc2)Oc3ccnc(NCCCO)n3)=O	4767
+FC(F)(F)c1nc(N)c(CO)cc1	295
+FC(F)(F)c1nc(c(CNC(=O)C(c2ccc(c(C)c2)CN)C)cc1)N3CCCC3	107
+FC(F)(F)c1ccc(c(NC(=O)Nc2cccc(c2)I)c1)F	124
+FC(F)(F)c1ccc(c(NC(Nc2ccc(cc2)-c3ccc4c(n[nH]c4n3)N)=O)c1)F	124
+FC(F)(F)c1ccc(c(n1)O)C(=O)O	1
+FC(F)(F)c1cc(N)c(S(=O)(=O)Nc2c3c(c(cc2)F)cccn3)cc1	0
+FC(F)(F)c1cc(-c2c(OC3CCCC3)ncc(C(=O)O)c2)c(cc1)Cl	1
+FC(F)(F)c1cc(c(CNc2cc(c(cc2)-c3ccc(cc3C)Cl)Cl)cc1)Br	608
+FC(F)(F)c1ccc(c(c1)Br)Sc2ccc(cc2)Cl	826
+FC(F)(F)c1ccc(C=O)c(c1)OCC	760
+FC(F)(F)c1ccc(c(c1)[N+]([O-])=O)C(=O)N(C)OC	280
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCNc4c(cc(cc4)C(F)(F)F)[N+](=O)[O-]	53
+FC(F)(F)c1cc(N)c(C(N(OC)C)=O)cc1	0
+FC(F)(F)c1cc([N+]([O-])=O)c(cc1)Nc2c(cc(OC)c(CC)c2)OC	275
+FC(F)(F)c1ccc(N2CCc3c2cccc3)c([N+](=O)[O-])c1	4434
+FC(F)(F)c1ccc(c(c1F)F)-c2sc(COc3ccc4ccn(CC(O)=O)c4c3)c(C)n2	32
+FC(F)(F)c1nc(OC)c(cc1)CN2N=C3C(c4ccncc4)=C(c5ccc(cc5)Cl)C=CN3C2=O	4768
+FC(F)(F)c1ccc(O)c2c1cc(C(=O)OCC)n2C	321
+FC(F)(F)c1ccc(cc1)-c2c(nc([nH]2)NC(c3c(ncc(CNC(=O)C(C)C)c3)C(F)F)=O)C	4769
+FC(F)(F)c1ccc(cc1)-c2nc(CCOS(=O)(=O)C)oc2Br	7
+FC(F)(F)c1ccc(cc1)-c2c(Br)oc(CCO)n2	59
+FC(F)(F)c1ccc(cc1)-c2ccccc2C(=O)Nc3ccc(cc3)C=CCN	1764
+FC(F)(F)c1ccc(cc1)-c2cc(CN(C)C)ccc2C(=O)O	1
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(=O)NCCC(O)=O	4
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(O)=O	1
+FC(F)(F)c1ccc(cc1)-c2c(ccc(CC(OCC)=O)c2)I	158
+FC(F)(F)c1ccc(cc1)-c2c(cc(cc2)C(CCCCCC)Oc3c(cc(cc3)C(NCCC(O)=O)=O)F)C	3
+FC(F)(F)c1ccc(cc1)-c2ccccc2C(=O)Nc3ccc(cc3)I	50
+FC(F)(F)c1ccc(cc1)-c2c3c(sc2C)cc(OCCNC)cc3	285
+FC(F)(F)c1ccc(cc1)-c2c3c(cc(cc3)C#CCCCOS(=O)(=O)C)sn2	7
+FC(F)(F)c1ccc(cc1)-c2c3c(sc2C)cc(cc3)OCCOS(=O)(=O)C	7
+FC(F)(F)c1ccc(cc1)-c2nc(n(-c3ccc(cc3)[N+]([O-])=O)c2)Cc4ccc(cc4)Br	431
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)C(CCC)C(OCC)=O)Oc3ccc(cc3)F	472
+FC(F)(F)c1ccc(cc1)-c2cc(cc(C3CN(Cc4cc5c(cccc5)cc4)CCC3)c2)C(C(=O)OCC)CC(C)C	131
+FC(F)(F)c1ccc(cc1)-c2cc(COc3ccc(c(c3)C)CCCCn4ccnn4)cnc2	751
+FC(F)(F)c1ccc(cc1)-c2cc(F)c(c(c2)N)NC=O	0
+FC(F)(F)c1ccc(cc1)-c2cc(C(C(OCC)=O)CCC)cc(c2)O	16
+FC(F)(F)c1ccc(cc1)-c2cc(C3CCCNC3)cc(C(C(=O)OCC)CC(C)C)c2	1446
+FC(F)(F)c1ccc(cc1)-c2cc(cc(C(CC(C)C)C(O)=O)c2)C3CN(Cc4cc5c(cccc5)cc4)CCC3	3
+FC(F)(F)c1ccc(cc1)-c2cc(cc(Cl)n2)CC(=O)OC	9338
+FC(F)(F)c1ccc(cc1)-c2cc(cc(CNC(CN(S(=O)(=O)c3ccc(cc3)F)C)=O)c2)F	9
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)CN)F	107
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCC)Cc3ccc(OCC(=O)OCC)c(C)c3)c2	507
+FC(F)(F)c1ccc(cc1)-c2cncc(CO)c2	295
+FC(F)(F)c1ccc(cc1)-c2cc(n(C)n2)COc3ccc4ccn(CC(=O)O)c4c3	3
+FC(F)(F)c1ccc(cc1)-c2cc(n(n2)C)CCOc3cc4c(ccn4CC(=O)O)cc3	3
+FC(F)(F)c1ccc(cc1)-c2ncnc(Oc3c4c(ccc3)sc(N)n4)c2	4751
+FC(F)(F)c1ccc(cc1)-c2cc3c(cc2)N(CC3(C)C)S(=O)(=O)c4ccc(cc4)N(C)CC(=O)O	3
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2C)C(O)CCCCCC	74
+FC(F)(F)c1ccc(cc1)-c2ccc(C(=O)CCCCCC)cc2C	1740
+FC(F)(F)c1ccc(cc1)-c2ccc(nn2)COC	629
+FC(F)(F)c1ccc(cc1)-c2nc(c(C=O)cc2)Oc3ccccc3Cl	136
+FC(F)(F)c1ccc(cc1)-c2ccc(CO)nc2	453
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(CCO)cc2	21
+FC(F)(F)c1ccc(cc1)-c2ccc(NS(=O)(=O)C)cc2CO	98
+FC(F)(F)c1ccc(cc1)-c2ccc(N)c(CO)c2	98
+FC(F)(F)c1ccc(cc1)-c2nc(COC)c(cc2)CO	295
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)CO	217
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C=Cc3ccc(OCC(OC)=O)c(c3)C	722
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C(CCCCCC)O	758
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NC(CC(C)C)c3ncc(cc3)C(=O)O	1
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NC(c3ccc(cn3)C(NCc4[nH]nnn4)=O)CC(C)C	56
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NCc3ccc(OC)cc3-c4cnc(C(=O)NCCC(=O)O)cc4	3
+FC(F)(F)c1ccc(cc1)-c2nnc(cc2)CO	88
+FC(F)(F)c1ccc(cc1)-c2ccc(nn2)COc3cc(c(cc3)OC(C)(C)C(O)=O)C	3
+FC(F)(F)c1ccc(cc1)-c2cc3c(cc2)N(CC3(C)C)S(=O)(=O)c4ccc(cc4)N(CC(OCC)=O)C	416
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3c(C)cc(cc3C)C=CC(OCC)=O)ccc2	20
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3ccc(cc3)CC(=O)OC)ccc2	20
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCC)Cc3ccc(OCC(=O)O)c(C)c3)c2	3
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCCCC)Cc3ccc(OCC(=O)O)c(C)c3)c2	3
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)N(Cc3cc(C)c(OCC(=O)OCC)cc3)CCCC	507
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)N(Cc3ccc(OCC(=O)O)c(C)c3)CCCC	3
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCCCC)Cc3cc(C)c(OCC(=O)OCC)cc3)c2	507
+FC(F)(F)c1ccc(cc1)-c2c(C(=O)Nc3ccc(cc3)C=CCN4C(c5c(C4=O)cccc5)=O)cccc2	1046
+FC(F)(F)c1ccc(cc1)-c2ccnc(n2)C=3CCC4(CCN(C4=O)C)N=3	9339
+FC(F)(F)c1ccc(cc1)C2CCNCC2	1413
+FC(F)(F)c1ccc(cc1)-c2ccc(nc2)COc3cc(C)c(cc3)CCCCn4nncc4	412
+FC(F)(F)c1ccc(cc1)-c2cnc(N3CCN(CC3)C(OCC(=O)NC)=O)cc2	271
+FC(F)(F)c1ccc(cc1)-c2c[n+]([O-])ccc2	341
+FC(F)(F)c1ccc(cc1)-c2coc(CCO)n2	44
+FC(F)(F)c1ccc(cc1)-c2nc(oc2)CCOC(=O)C	204
+FC(F)(F)c1ccc(cc1)-c2n(C)c(c(n2)C=O)C	614
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(C)=NNC(c3sc(cc3)C(=O)OC)=O)c2O	2398
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(C)=NNC(=O)c3ccc(C(=O)O)s3)c2O	1
+FC(F)(F)c1ccc(cc1)-c2oc(-c3ccc(cc3)C#N)c(C(O)=O)n2	1
+FC(F)(F)c1ccc(cc1)-c2oc(C(CO)C)c(C(C)C)n2	44
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3c(C)cc(cc3C)C=CC(O)=O)ccc2	108
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3ccc(cc3)CC(O)=O)ccc2	4
+FC(F)(F)c1ccc(cc1)-c2sc(CNc3ccc(cc3)C4CC4C(=O)O)c(C)n2	9340
+FC(F)(F)c1ccc(cc1)-c2nc(c(CCOc3ccc(CCC(OCC)=O)c4ccccc34)cc2)C	20
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(CCO)cc2	88
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(COc3cc4n(CC(=O)O)cc(Cl)c4cc3)s2	32
+FC(F)(F)c1ccc(cc1)-c2ccc(CC(=O)O)c(C)n2	4
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(CCOC)cc2	21
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(s2)COc3cc(F)c(C=4NC(ON=4)=O)cc3	9341
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(s2)COc3cc(F)c(cc3)C(NO)=N	181
+FC(F)(F)c1ccc(cc1)-c2nc(c(s2)CO)CCCOCc3ccccc3	1503
+FC(F)(F)c1ccc(cc1)-c2ccnc(I)n2	2531
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)-c3ccc(cc3)-c4ccc(cc4)C=O)C	11
+FC(F)(F)c1ccc(cc1)-c2sc(C)c(CCOCC)n2	21
+FC(F)(F)c1ccc(cc1)-c2nc(c(C)s2)CCOc3ccc(cc3)C(NN)=O	296
+FC(F)(F)c1ccc(cc1)-c2nc(c(C(=O)O)cc2)Oc3ccccc3Cl	3070
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(s2)COc3ccc(C#N)c(F)c3	2119
+FC(F)(F)c1ccc(cc1)-c2ncc(c(C3CC3)n2)COc4ccc5c(ccn5CC(=O)OCC)c4	2171
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)CCOc3c4c(cccc4)c(C=O)cc3)C	20
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(CC#N)n2	4275
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)COc3cc4ccn(CC(=O)OCC)c4cc3	547
+FC(F)(F)c1ccc(cc1)-c2nc(CCCOS(=O)(=O)C)c(s2)COc3ccc(c(OC)c3)C=4NOC(=O)N=4	710
+FC(F)(F)c1ccc(cc1)-c2nc(c3c(cccc3)n2)C(N4CCc5c(O)c(ccc5C4)OC)=O	147
+FC(F)(F)c1ccc(cc1)-c2cc(cc(N3CCCC3)n2)CNC(=O)C(=C)N(C)S(=O)(=O)c4ccc(cc4)Cl	4712
+FC(F)(F)c1ccc(cc1)-c2cccc(C(O)CCCC)n2	1394
+FC(F)(F)c1ccc(cc1)-c2nc(C(Oc3cc(C)c(cc3)OCC(=O)OCC)CC(C)C)ccc2	9342
+FC(F)(F)c1ccc(cc1)-c2csc(n2)N(CCC(C)C)Cc3ccc(cc3)COc4ccc(cc4)CCC(OC)=O	9343
+FC(F)(F)c1ccc(cc1)-c2nc3C(CN(S(=O)(=O)c4ccc(c(C)c4)OCC(=O)O)c3cc2)C(C)C	3
+FC(F)(F)c1ccc(cc1)-c2sc3c(CCN(C3)S(=O)(=O)c4cc(CC(OC)=O)ccc4C)n2	92
+FC(F)(F)c1ccc(cc1)-c2nc3C(CN(S(=O)(=O)c4cc(c(OCC(=O)OCC)cc4)C)c3cc2)C(C)C	4770
+FC(F)(F)c1ccc(cc1)-c2ncc(C(O)=O)c(C3CC3)n2	6
+FC(F)(F)c1ccc(cc1)-c2ncnc(Oc3c4c(sc(NC(Cc5ccccc5)=O)n4)ccc3)c2	290
+FC(F)(F)c1ccc(cc1)-c2nn(c(CCO)c2)C	21
+FC(F)(F)c1ccc(cc1)-c2nn(c(c2)CO)C	194
+FC(F)(F)c1ccc(cc1)-c2nn(c(COc3cc4c(ccn4CC(=O)O)cc3)c2C)C	3
+FC(F)(F)c1ccc(cc1)-c2nn(c3c2CN(CC3)S(=O)(=O)C)CCCN4CCN(CC4)c5c(cccc5Cl)N	0
+FC(F)(F)c1ccc(cc1)-c2cc(C(=O)O)on2	6
+FC(F)(F)c1ccc(cc1)-c2c3ccc(O)cc3sn2	5
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(c(CC(O)=O)cc3)C)C)c(C(C)C)n2	4
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(CCOc3ccc4c(c3)ccn4CC(O)=O)n2	3
+FC(F)(F)c1ccc(cc1)-c2nc(c(o2)C)CCO	21
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(CCOc3ccc4n(ccc4c3)CC(=O)OCC)n2	267
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)COc3ccc4c(c3)ccn4CC(O)=O	3
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)COc3ccc4n(CC(=O)NS(=O)(=O)C)ccc4c3	344
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)-c3ccc(cc3)-c4ccc(cc4)CNO)C	1059
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)-c3ccc(cc3)-c4ccc(cc4)C=NO)C	135
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)-c3ccc(cc3)-c4ccc(cc4)CN5OC(=O)NC5=O)C	4771
+FC(F)(F)c1ccc(cc1)-c2sc(c(n2)CCO)C	665
+FC(F)(F)c1ccc(cc1)-c2sc(CCCc3cc(C)c(OCC(=O)OCC)cc3)c(C)n2	414
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(C#N)c(c3)F)c(CCCOCc4ccccc4)n2	2119
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(C(NO)=N)c(F)c3)c(CCCOCc4ccccc4)n2	181
+FC(F)(F)c1ccc(cc1)-c2nc(c(s2)COc3ccc(c(OC)c3)C=4NOC(=O)N=4)CCCO	118
+FC(F)(F)c1ccc(cc1)-c2sc(c(C)n2)CCOc3ccc4c(n(cc4CCC)CC(O)=O)c3	32
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(s2)C(CC)Oc3cc(F)c(C#N)cc3F	57
+FC(F)(F)c1ccc(cc1)-c2sc(CCC(c3ccc(c(c3)C)OCC(=O)OCC)O)c(C)n2	74
+FC(F)(F)c1ccc(cc1)-c2nc(c(C)s2)CCOc3ccc(cc3)C(OC)=O	20
+FC(F)(F)c1ccc(cc1)-c2sc3c(CCN(C3)S(=O)(=O)c4cc(ccc4C)CC(=O)O)n2	4
+FC(F)(F)c1ccc(cc1)-c2c3c(cncc3)c(nn2)N4CCNC(C4)C	519
+FC(F)(F)c1ccc(cc1)-c2ccc(C=O)c(Cl)n2	140
+FC(F)(F)c1ccc(cc1)-c2nc(ccc2)C=O	119
+FC(F)(F)c1ccc(cc1)-c2ccc(NS(=O)(=O)C)cc2C(=O)OC	11
+FC(F)(F)c1ccc(cc1)-c2cc(c(CO)s2)C	268
+FC(F)(F)c1ccc(cc1)-c2c(N)ccc(c2)CC(OCC)=O	134
+FC(F)(F)c1ccc(cc1)-c2cc(F)c(c([N+](=O)[O-])c2)NC=O	11
+FC(F)(F)c1ccc(cc1)C2=CN(C(c3c2cc(OC)cc3)=O)c4ccc(C=O)c(c4)OC	2220
+FC(F)(F)c1ccc(cc1)-c2nc(ccc2)C(=O)CCCC	119
+FC(F)(F)c1ccc(cc1)-c2cc(cc(Cl)n2)C	119
+FC(F)(F)c1ccc(cc1)-c2cccc(N)c2	134
+FC(F)(F)c1ccc(cc1)-c2ccc(c(C(OC)=O)c2)N	11
+FC(F)(F)c1ccc(cc1)-c2cc(cnc2)C(=O)OC	89
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)OCc3ccccc3)CC(=O)OCC	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C=O	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)N	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NCc3ccc(OC)cc3-c4cnc(C(=O)NCCC(OCC)=O)cc4	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C(OCC)=O	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C=C	11
+FC(F)(F)c1ccc(cc1)C=2c3cc(OC)ccc3C(N(c4ccc(cc4)OC)C=2)=O	2220
+FC(F)(F)c1ccc(cc1)-c2ccc(C=O)nc2	89
+FC(F)(F)c1ccc(cc1)-c2n3cc(Br)ccc3nc2	4772
+FC(F)(F)c1ccc(cc1)C#Cc2ccc(cc2)OC3OCCCC3	455
+FC(F)(F)c1ccc(cc1)-c2ccncc2	498
+FC(F)(F)c1cc(c(cc1)C)[N+]([O-])=O	31
+FC(F)(F)c1ccc(cc1)C#Cc2n(C)ncc2	2349
+FC(F)(F)c1ccc(cc1)C#CCCCOc2ccc3ccn(CC(O)=O)c3c2	3
+FC(F)(F)c1ccc(cc1)CCc2n(ncc2)C	801
+FC(F)(F)c1ccc(cc1)C(=O)C=O	9344
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(=O)C)c2O	4268
+FC(F)(F)c1ccc(cc1)-c2coc(n2)C(CO)Oc3c(c(c(F)cc3)C(=O)N)F	4773
+FC(F)(F)c1ccc(cc1)C(NCCc2cc(ccc2)F)=O	93
+FC(F)(F)c1ccc(cc1)C(=O)NCCc2c(OC)cccc2	93
+FC(F)(F)c1ccc(cc1)C(=O)Nc2ccc(cc2)Cc3c4c(n(c3C)CC(OCC)=O)cccc4	50
+FC(F)(F)c1ccc(cc1)C(=O)NCCc2ccccc2	93
+FC(F)(F)c1ccc(cc1)C(=O)NCCCOc2c(Cl)cc(cc2Cl)O	16
+FC(F)(F)c1ccc(cc1)C=2c3cccc(OC)c3CCN=2	1753
+FC(F)(F)c1ccc(cc1)C=2c3c(CCN=2)cccc3	1753
+FC(F)(F)c1ccc(cc1)C(=O)Nc2ccc(cc2)Cc3c(n(c4ccccc34)CC(=O)O)C	3
+FC(F)(F)c1ccc(cc1)-c2nc(CCCOCc3ccccc3)c(C(OCC)=O)s2	2242
+FC(F)(F)c1ccc(cc1)C(O)C(C(=O)OCC)Cc2ccc(cc2)F	2261
+FC(F)(F)c1ccc(cc1)C2OC(NC2Cc3ccc(cc3)F)=O	3064
+FC(F)(F)c1ccc(cc1)-c2cn3cc(-c4ccccc4)ccc3n2	440
+FC(F)(F)c1ccc(cc1)C(C(C(=O)OCC)Cc2ccc(cc2)F)=O	9345
+FC(F)(F)c1ccc(cc1)C(=O)NCCCOc2c(Cl)cc(cc2Cl)OCc3ccccc3	20
+FC(F)(F)c1ccc(cc1)C2=NCCc3cc(ccc23)F	1753
+FC(F)(F)c1ccc(cc1)C(=O)C2C(N(C(C)=O)c3c2cc(cc3)[N+](=O)[O-])=O	3071
+FC(F)(F)c1ccc(cc1)C(C(Cc2ccc(cc2)F)C(O)=O)O	3
+FC(F)(F)c1ccc(cc1)C(O)C(Cc2ccc(cc2)F)NC(c3c4c(cccc4)c(F)cc3)=O	14
+FC(F)(F)c1ccc(cc1)C(c2c(c3C(CC(C)(C)Oc3cc2C(C)C)=O)C4=CCCCC4)=O	335
+FC(F)(F)c1ccc(cc1)C(=O)c2c(C(C)C)cc3c(c2C4=CCCCC4)C(O)CC(C)(C)O3	74
+FC(F)(F)c1ccc(cc1)C23CN(CCCN4C=C(C(=O)NC4=O)c5c(F)nc(C)cc5)CC2C3	61
+FC(F)(F)c1ccc(cc1)C=2c3c(C(N(c4ccc(c(c4)OC)CO)C=2)=O)ccc(OC)c3	41
+FC(F)(F)c1ccc(cc1)C2c3c(cc(cc3)F)CCN2	2262
+FC(F)(F)c1ccc(cc1)-c2c(O)nccc2	4774
+FC(F)(F)c1ccc(cc1)C2CCN(CC2)c3nc4ccc(C(O)=O)cc4nc3-c5ccc(cc5)F	1
+FC(F)(F)c1ccc(cc1)C2CCN(CC2)c3c(-c4ccc(cc4)F)nc5cc(ccc5n3)C(=O)OC	1322
+FC(F)(F)c1ccc(cc1)C2CC(CN(C(Oc3ccc(cc3)[N+]([O-])=O)=O)C2)NC(c4ccccc4)=O	66
+FC(F)(F)c1ccc(cc1)C2c3ccccc3CCN2C(=O)Nc4ccccc4	326
+FC(F)(F)c1ccc(cc1)C2c3c(cccc3)CCN2C(=O)Oc4ccccc4	66
+FC(F)(F)c1ccc(cc1)C(O)C(Cc2ccc(cc2)F)N	886
+FC(F)(F)c1ccc(cc1)C2c3ccc(F)cc3CCN2C(=O)Nc4ccc(cc4)F	326
+FC(F)(F)c1ccc(cc1)C2NCCc3c2cccc3	2262
+FC(F)(F)c1ccc(cc1)C2c3cccc(c3CCN2)OC	2262
+FC(F)(F)c1ccc(cc1)CCCC2CCN(CC2)C(=O)OC(C)(C)C	374
+FC(F)(F)c1ccc(cc1)CC[N+](=O)[O-]	364
+FC(F)(F)c1ccc(cc1)C=Cc2occ(C(O)=O)n2	6
+FC(F)(F)c1ccc(cc1)C=Cc2nc(C(=O)Nc3ccc(cc3)CCCCn4ccnn4)co2	3862
+FC(F)(F)c1ccc(cc1)C=Cc2nc(COc3ccc(cc3)CCCCn4c(ncc4)CC(O)CO)co2	547
+FC(F)(F)c1ccc(cc1)C=Cc2nc(COc3ccc(cc3)CCCn4ccnn4)co2	547
+FC(F)(F)c1ccc(cc1)C(=NO)Cl	761
+FC(F)(F)c1ccc(cc1)C	3072
+FC(F)(F)c1ccc(cc1)C=NO	135
+FC(F)(F)c1ccc(cc1)C=C[N+](=O)[O-]	417
+FC(F)(F)c1ccc(cc1)CNc2[nH]c(Nc3cc(Cl)c(c(Cl)c3)C#N)nn2	4775
+FC(F)(F)c1ccc(cc1)C=C(C#N)c2ccc(cc2)OCCCCCCCCO	9346
+FC(F)(F)c1ccc(cc1)CN2CCC3(CC2)CN(CC3)C(c4ccc(cc4)-c5oc6c(C(C)C)cc(C#N)cc6n5)=O	131
+FC(F)(F)c1ccc(cc1)CON=C(CC)c2ccc(cc2)OCC(OCC)=O	2236
+FC(F)(F)c1ccc(cc1)CN(C2CCCCC2C(N)=O)S(=O)(=O)c3ccc(cc3)Cl	692
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(C)c(OCC(OCC)=O)cc3	2236
+FC(F)(F)c1ccc(cc1)Cn2c3ccccc3c4CCN(Cc24)C(=O)OCc5ccccc5	190
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(nc2)OCC(OC)=O)C	2236
+FC(F)(F)c1ccc(cc1)CC(=O)C(OCC)OCC	9347
+FC(F)(F)c1ccc(cc1)CC(C(c2ccccc2)O)C(O)=O	3
+FC(F)(F)c1ccc(cc1)CC2NC(OC2c3ccccc3)=O	3064
+FC(F)(F)c1ccc(cc1)CC(NC(c2c3c(cccc3)c(F)cc2)=O)C(O)c4ccccc4	14
+FC(F)(F)c1ccc(cc1)CCNc2cc(F)c(cc2)OC	4228
+FC(F)(F)c1ccc(cc1)CC(N)C(O)c2ccccc2	886
+FC(F)(F)c1ccc(cc1)CCCO	21
+FC(F)(F)c1ccc(cc1)CCC(NCCc2nc(c(OC)cc2)OC)=O	9
+FC(F)(F)c1ccc(cc1)CCC=2c3c(CCN=2)nc(OC)c(c3)OC	9348
+FC(F)(F)c1ccc(cc1)CCC=O	578
+FC(F)(F)c1ccc(cc1)CCC2CCC(CC2)C3CCC(CC3)CCC=O	9349
+FC(F)(F)c1ccc(cc1)CCC2CCC(CC2)C3CCC(CC3)CCCO	237
+FC(F)(F)c1ccc(cc1)CCC2CCC(CC2)C3CCC(CC3)CCCF	559
+FC(F)(F)c1ccc(cc1)CCC2CN(C=3c4cc(C)sc4Nc5ccccc5N=3)CCN2	3073
+FC(F)(F)c1ccc(cc1)CCC2NCCc3nc(c(OC)cc23)OC	9350
+FC(F)(F)c1ccc(cc1)CCC2OCC(CO2)CCC	3682
+FC(F)(F)c1ccc(cc1)CCC2NCCn3cnc(C)c23	9351
+FC(F)(F)c1ccc(cc1)CCCC2CCNCC2	2
+FC(F)(F)c1ccc(cc1)CCCC2CCN(CC2)c3ccc(cc3)OC4OCCCC4	560
+FC(F)(F)c1ccc(cc1)CCC=O	24
+FC(F)(F)c1ccc2c(C(=NCC2)C)c1	1120
+FC(F)(F)c1ccc(cc1)CCNc2cccc(c2)OC(C)(C)C(=O)O	3
+FC(F)(F)c1ccc(cc1)CCN	157
+FC(F)(F)c1ccc(cc1)CCc2c(C#N)cnn2C	4198
+FC(F)(F)c1ccc(cc1)CCc2n(ncc2-n3nccc3)C	9352
+FC(F)(F)c1ccc(cc1)CCc2c(cnn2C)I	1160
+FC(F)(F)c1ccc(cc1)CCc2c(-n3ncc(I)c3)cnn2C	1160
+FC(F)(F)c1ccc(cc1)CNC(C)=O	9
+FC(F)(F)c1ccc(cc1)CNC(c2cc(C(=O)C)ccc2OC)=O	14
+FC(F)(F)c1ccc(cc1)CNC(=O)c2cc3c(cc(cc3)OC)nc2-c4ccsc4	56
+FC(F)(F)c1ccc(cc1)CNC(c2c(OC)ccc(CC#N)c2)=O	14
+FC(F)(F)c1ccc(cc1)CNC(=O)N2CC(c3cc(ccc3)OC(C)(C)C(OCc4ccccc4)=O)CCC2	1132
+FC(F)(F)c1ccc(cc1)CN(C(=O)COc2ccc(cc2)CCSc3ccccc3C(=O)O)CC	1
+FC(F)(F)c1ccc(cc1)CN2n3cc(-c4ccccc4)cc3C(=C(C2=O)C(=O)NCC(=O)O)O	9353
+FC(F)(F)c1ccc(cc1)CN2C(=O)C(C(=O)OC)=C(O)c3cc(cn23)-c4ccccc4	550
+FC(F)(F)c1ccc(cc1)CN2C(=O)C(CC2)N3CCC(C(F)(F)C3)c4ccc(cc4)O	2150
+FC(F)(F)c1ccc(cc1)CN2CCC3(CC3)CC2(C)C(NC(c4ccc(cc4)C(O)=O)C)=O	1
+FC(F)(F)c1ccc(cc1)CNC(=O)Nc2cccc3NCC(O)Cc23	406
+FC(F)(F)c1ccc(cc1)Cn2cc(-c3sc(C(NCc4ccccc4)=O)c(n3)C)nn2	3236
+FC(F)(F)c1ccc(cc1)CNC(=O)N2CC(c3cc(OC(C)(C)C(=O)O)ccc3)CCC2	210
+FC(F)(F)c1ccc(cc1)CN2CCC(Br)C2=O	1553
+FC(F)(F)c1ccc(cc1)CNCC	15
+FC(F)(F)c1ccc(cc1)CNC(c2cc(CC(N)=O)ccc2OC)=O	527
+FC(F)(F)c1ccc(cc1)CN(C(=O)COc2ccc(cc2)CCSc3c(cccc3)C(OC)=O)CC	10
+FC(F)(F)c1ccc(cc1)CNc2nc(c(N)c(C)n2)N	193
+FC(F)(F)c1ccc(cc1)COc2ccc(cc2C=CCCC(C(OCC)=O)Oc3ccccc3OC)OC	657
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(OCC(=O)N)nc2)C	83
+FC(F)(F)c1ccc(cc1)CON=C(CC)c2ccc(cc2)OCC(=O)O	3
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(C)c(OCC(=O)O)cc3	3
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(OCC(NO)=O)cc3)C	1376
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(OCC(NCC(O)=O)=O)cc3)C	3
+FC(F)(F)c1ccc(cc1)CON=C(c2cnc(OCC#N)cc2)C	143
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCc3nnc(C)o3)C	1037
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCC(=O)NNC(=O)C)C	1038
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCC(=O)O)C	3
+FC(F)(F)c1ccc(cc1)CON=C(C)c2cnc(cc2)OCC(=O)O	4
+FC(F)(F)c1ccc(cc1)COc2c(cc(cc2)OC)C=CCCC(C(=O)O)Oc3c(cccc3)OC	3
+FC(F)(F)c1ccc(cc1)COc2cc(CC(O)=O)ccc2	3
+FC(F)(F)c1ccc(cc1)Oc2cc(C)c(c(C)c2)C(C)=O	415
+FC(F)(F)c1ccc(cc1)Cn2cc(cn2)Nc3cc(F)c(cc3)S(=O)(=O)Nc4nccs4	9354
+FC(F)(F)c1ccc(cc1)Cn2cc(N)cn2	209
+FC(F)(F)c1ccc(cc1)Cn2cc(nn2)-c3sc(C(O)=O)c(C)n3	6
+FC(F)(F)c1ccc(cc1)Cn2cc(-c3sc(C(NCc4cnccc4)=O)c(n3)C)nn2	454
+FC(F)(F)c1ccc(cc1)Sc2nc3c(ncnc3N)[nH]2	4666
+FC(F)(F)c1ccc(cc1)-c2nc(C(=O)OC)c(o2)-c3ccc(cc3)C#N	4776
+FC(F)(F)c1ccc(N)c(c1)I	184
+FC(F)(F)c1ccc(cc1)NS(=O)(=O)c2cccc(C(=O)OCC)c2	69
+FC(F)(F)c1ccc(cc1)Nc2nc(cc(-n3c4c(ccc(F)c4)nc3C)n2)Cl	1359
+FC(F)(F)c1ccc(cc1)NC=O	753
+FC(F)(F)c1ccc(cc1)Nc2ncnc3c2nc(Nc4c(cccc4Cl)Cl)[nH]3	1185
+FC(F)(F)c1ccc(cc1)Nc2cc(C)cc(n2)Cl	1759
+FC(F)(F)c1ccc(cc1)Nc2nc(N)nc(c2)-c3cc(Br)ccc3C	73
+FC(F)(F)c1ccc(cc1)Nc2c3c(ncn2)n(-c4ccccc4Cl)cn3	1185
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(CN)c(C)c2)C	107
+FC(F)(F)c1ccc(cc1)N2C(=O)NC3(CCCCC3)C2	9355
+FC(F)(F)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)COCC(O)=O	4
+FC(F)(F)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3cc(ccc3)CBr	92
+FC(F)(F)c1ccc(cc1)NC(N2CCCC2c3c(Cc4ccc(cc4)Cl)c(C)no3)=O	326
+FC(F)(F)c1ccc(cc1)N2C(C3(CCCCC3)NC2=O)=O	9356
+FC(F)(F)c1ccc(cc1)NC(CO)C(C)C	21
+FC(F)(F)c1ccc(cc1)NC(COCCc2ccccc2)C(C)C	176
+FC(F)(F)c1ccc(cc1)NC2c3c(cc(NC(=O)CCC4CCCC4)c(c3)N)CC2	0
+FC(F)(F)c1ccc(cc1)Nc2c3ncn(C)c3nc(Cl)n2	1545
+FC(F)(F)c1ccc(cc1)NS(=O)(=O)c2cc(C(O)=O)ccc2	6
+FC(F)(F)c1ccc(cc1)Nc2nc(nc3c2ncn3C)NN	1657
+FC(F)(F)c1ccc(cc1)Nc2ncnc(n2)C=Cc3cc4cnn(c4cc3)C5OCCCC5	914
+FC(F)(F)c1ccc(cc1)Nc2nc(CCc3cc4c([nH]nc4)cc3)ncn2	804
+FC(F)(F)c1ccc(cc1)Nc2nc(cc(N)n2)-n3c4c(ccc(F)c4)nc3C	266
+FC(F)(F)c1ccc(cc1)Nc2nc(CCc3ccc4c(cnn4C5OCCCC5)c3)ncn2	9357
+FC(F)(F)c1ccc(cc1)OCc2n(nc(C)c2I)C	20
+FC(F)(F)c1ccc(cc1)OCCOc2ccc(cc2)C(c3nocc3)CC(=O)N4C(OCC4Cc5ccccc5)=O	8
+FC(F)(F)c1ccc(cc1)OCCOc2ccc(cc2)C(CC(O)=O)c3ccon3	2263
+FC(F)(F)c1ccc(cc1)Oc2cc(C)c(c(C)c2)-c3nc(sc3)N	354
+FC(F)(F)c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)n3cc(c4c3ccc(-c5ccccc5)c4)CCC(=O)OC	367
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2ccsc2C(OC)=O	3074
+FC(F)(F)c1ccc(cc1)S(=O)(=O)n2nc(nc2N)Nc3cc(Cl)c(c(c3)Cl)C#N	9358
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(C2CCC(CC2)OCCCC(=O)C)C	591
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(C2CCC(CC2)OCCCC(N(C)OC)=O)C	9359
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCNCC2	2
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3ncc(-c4ncccc4)cc3	147
+FC(F)(F)c1ccc(cc1)Sc2nc3c(ncnc3n2CCCC)N	4777
+FC(F)(F)c1ccc(cc1F)C(CNC)O	132
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c3c(C(=O)N(C=C3)C(COS(=O)(=O)C)C)ccc2C	7
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c3C=CN(C(C)CNC)C(=O)c3ccc2C	1569
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c(C)ccc3C(=O)N(C=Cc23)C(CO)C	59
+FC(F)(F)c1c(OC)cc(cc1)C=C2NC(=O)CN(C(=O)C)C2=O	9360
+FC(F)(F)c1ccc(cc1OC)C=C2N(C(CN(C(C)=O)C2=O)=O)C(=O)C	9361
+FC(F)(F)c1c(cc(-c2cn3cc(ccc3n2)Br)cc1)N	0
+FC(F)(F)c1c(cc(cc1)-c2cn3c(ccc(Cl)n3)n2)N	0
+FC(F)(F)c1c(cc(C(OCC)=O)cc1)N	0
+FC(F)(F)c1ccc(cn1)-c2cc(ncc2Cl)CN	45
+FC(F)(F)c1ncc(cc1)-c2cc(nc(n2)-n3cnc(c3)I)C	937
+FC(F)(F)c1ncc(-c2nc(nc(C)c2)-c3cc(ccc3)Br)cc1	345
+FC(F)(F)c1ccc(-c2c(cnc(CO)c2)Cl)cn1	398
+FC(F)(F)c1ncc(-n2c(c(Cl)nc2C)-c3c(F)cc(cc3F)OC)cc1	4778
+FC(F)(F)c1ccc(cn1)-n2c(c(Cl)nc2)-c3c(cc(cc3F)OC)F	844
+FC(F)(F)c1ccc(-c2n(C)c3c(n2)c(Cl)ncn3)cn1	9362
+FC(F)(F)c1ncc(cc1)CC(=O)NNc2ncc(c(-c3ccc(cc3)Cl)c2)Br	355
+FC(F)(F)c1ccc(cn1)Nc2ncc(-c3ccc(cc3)C4CCN(CC4)C(=O)C(=O)O)cc2	1581
+FC(F)(F)c1ccc(cn1)Nc2ncc(-c3ccc(cc3)C4CCNCC4)cc2	2
+FC(F)(F)c1ccc(cn1)Nc2ncc(-c3ccc(cc3)C4CCN(CC4)C(C(=O)OCC)=O)cc2	3957
+FC(F)(F)c1ccc(Oc2ccc(cc2)C=O)cn1	551
+FC(F)(F)c1ccc(cn1)Oc2ccc(cc2)CCOc3ncc(c(n3)O)Cc4cnc(nc4)OC	3063
+FC(F)(F)c1ccc(nc1)-c2ccc(cc2)C(CCCC)Oc3ccc(cc3)C(=O)NCCC(O)=O	4
+FC(F)(F)c1cnc(-n2cc(CCC(=O)OCC)c(CCC)n2)cc1	4779
+FC(F)(F)c1ccc(nc1)Oc2cc(cc(C=C3CCC(CC3)N)c2)C	316
+FC(F)(F)c1ccc(nc1)Oc2cc(C=C3CCC(CC3)=O)cc(c2)C	97
+FC(F)(F)c1ccc(nc1)Oc2cc(C=C3CCC4(OCCO4)CC3)cc(c2)C	846
+FC(F)(F)c1ccc(nc1)Oc2ccc(cc2)OC(C)C=NO	410
+FC(F)(F)c1ccc(nc1)Oc2ccc(cc2)OC(C)C=O	24
+FC(F)(F)c1ccc(nc1-c2ccc(cc2)OC)NCCCOc3ccc4C(CC(O)=O)CCc4c3	3
+FC(F)(F)c1oc(CN2C(=O)C3(c4nc(ccc4OC3)OC)c5ccccc25)cc1	562
+FC(F)(F)c1ccc(o1)CN2C(=O)C3(COc4ccc(nc34)OC)c5c2cccc5-c6ccoc6	1628
+FC(F)(F)c1ccc2CCC(N3CCN(CC3C)C4(CCN(CC4)C(OC(C)(C)C)=O)C)c2c1	2784
+FC(F)(F)c1ccc2CCC(N3C(CN(C4(CCNCC4)C)CC3)C)c2c1	2
+FC(F)(F)c1ccc2c(N(CCC2)Cc3cccc(Br)c3)c1	507
+FC(F)(F)c1ccc2c(C=CC(=O)N2CC(=O)O)c1	4
+FC(F)(F)c1cc2c(cc1)CCNC2C	1218
+FC(F)(F)c1ccc2c(C(N)CC(CC)N2C(=O)C3CCC(CC3)CC(=O)OCC)c1	102
+FC(F)(F)c1cc2C=CC(=O)N(CC(Nc3scc(c3-c4nnc[nH]4)Cl)=O)c2cc1	1477
+FC(F)(F)c1ccc2c(N(CCC2)Cc3cc(-c4ccc(cc4)CO)ccc3)c1	11
+FC(F)(F)c1ccc2nc(C#N)cc(c2c1)OCc3ccc(cc3)OC	331
+FC(F)(F)c1ccc2N(C(=O)N(c2c1)Cc3ccc(c(OC)c3)OC)C4CCC(CC4)O	1939
+FC(F)(F)c1ccc2c(c(cnc2c1)CO)O	351
+FC(F)(F)c1cc2c(cc1)nc(C#N)cc2O	686
+FC(F)(F)c1ccc2c(c(cc(C(=O)N)n2)OCc3ccc(cc3)OC)c1	314
+FC(F)(F)c1cc(-c2c(ncc(c2O)C(=O)NCc3ccc(S(=O)(=O)C)cn3)C)ccc1	56
+FC(F)(F)c1cc(-c2c(c(cnc2C)C(NCc3ccc(cc3)S(=O)(=O)C)=O)O)ccc1	56
+FC(F)(F)c1cccc(c1)-c2c(c(cn3nc(N)nc23)Br)C	9363
+FC(F)(F)c1cccc(c1)-c2cccc3c2OC(CN)C3	18
+FC(F)(F)c1cccc(c1)-c2cc(C)c(C(=O)O)c(OC)n2	1
+FC(F)(F)c1cccc(-c2csc(Cc3ccc(cc3)C(=O)O)n2)c1F	1
+FC(F)(F)c1cc(ccc1)-c2nc(C)c(COC)cc2	382
+FC(F)(F)c1cc(ccc1)-c2nnc3c(C(O)CC(C3)C)c2	652
+FC(F)(F)c1cccc(-c2sc3nccc(C(Nc4sccn4)=O)c3n2)c1	2916
+FC(F)(F)c1cccc(N2C(C)=C(NC2=O)c3n(ncc3)-c4ccc(cc4)C#N)c1	9364
+FC(F)(F)c1cccc(-n2cc(nc2)NC(c3cc(ccc3N)N4CCCCC4)=O)c1	0
+FC(F)(F)c1cccc(c1)-c2nc(c([N+](=O)[O-])c(N)c2)C#N	140
+FC(F)(F)c1cccc(c1)-c2cccc(C(C(=O)OCC)C)n2	140
+FC(F)(F)c1cc(ccc1)Oc2cc(Br)cc(Br)c2	472
+FC(F)(F)c1cccc(-c2c(ncc(c2C)Br)N)c1	796
+FC(F)(F)c1cccc(-c2c(C)ncc(C(=O)O)c2O)c1	89
+FC(F)(F)c1cc(-c2nc3c(cc2)N4CC(CC4)N3)ccc1	140
+FC(F)(F)c1cc(-c2cc(C(=O)C)ccc2OCC(OC)=O)ccc1	11
+FC(F)(F)c1cccc(-c2nc(ccc2OC)C)c1	119
+FC(F)(F)c1cc(-c2c(C)cc3cc(ccc3c2OCOC)OC)ccc1	11
+FC(F)(F)c1cc(-c2ccc(cc2)C3C(C3)NCC(N)=O)ccc1	11
+FC(F)(F)c1cc(ccc1)-c2c3c(CC(COS(=O)(=O)c4ccc(cc4)C)O3)ccc2	11
+FC(F)(F)c1cccc(c1)-c2cc(c3c(n2)c4c([nH]3)cc(OCc5ccccc5)cc4)C(OC)=O	9365
+FC(F)(F)c1cc(-c2nc(c(CN)c(-c3c(cc(Cl)cc3)Cl)n2)N)ccc1	4780
+FC(F)(F)c1cccc(c1)-c2ccnc3n2ncc3	2214
+FC(F)(F)c1cc(ccc1)-c2ncc(C)o2	2996
+FC(F)(F)c1cccc(c1)C(Nc2cc(ccc2)C(=O)NN)=O	296
+FC(F)(F)c1cccc(C(=O)Nc2ccc(c(-c3cnc(c(c3)N4CCOCC4)OCCO)c2)C)c1	168
+FC(F)(F)c1c(N=[N+]=[N-])c(ccc1)C(=O)O	615
+FC(F)(F)c1c(N)c(ccc1)C(=O)Nc2ccccc2Cl	67
+FC(F)(F)c1cc(ccc1)C(=O)CC#N	3075
+FC(F)(F)c1cccc(c1F)-c2nc(sc2)N	2579
+FC(F)(F)c1cccc(C(=O)Nc2cnc(C)c(-c3cccc(c3)N)c2)c1	0
+FC(F)(F)c1cccc(c1)C(Nc2cc([N+]([O-])=O)c(Oc3ccc(cc3)O)cc2)=O	46
+FC(F)(F)c1cccc(C(Nc2ccc(OCC(C)(C)N)c(-c3c(cnn3C)Cl)c2)=O)c1	157
+FC(F)(F)c1cccc(C(Nc2ccc(c(CO)c2)Cl)=O)c1	49
+FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(Cl)c(C=O)c2	39
+FC(F)(F)c1cc(C(C(c2cc(F)ncc2)N(C(=O)C)C3CCCC3)O)ccc1	58
+FC(F)(F)c1cccc2c(n[nH]c12)-c3ccc(cc3)OC	1216
+FC(F)(F)c1cccc(C2N(c3ccc(cc3)Oc4ccc(cc4)Cl)C(C(CCCO)C2)=O)c1	347
+FC(F)(F)c1cc(C2CC(C(N2c3ccc(cc3)Oc4ccc(cc4)Cl)=O)CCCOS(=O)(=O)C)ccc1	7
+FC(F)(F)c1cccc(C2=CC(c3cccc(c3O2)C(Nc4cnccc4)=O)=O)c1	487
+FC(F)(F)c1cc(C=CC(c2c(c(ccc2)C(O)=O)O)=O)ccc1	307
+FC(F)(F)c1cccc(-c2c(O)nc3ccc(cc3c2O)Br)c1	4781
+FC(F)(F)c1cc(ccc1)CC(CN2C(=O)c3ccccc3C2=O)NC(c4sc(C)c(c4)-c5ccnn5C)=O	227
+FC(F)(F)c1cc(ccc1)CC(CN2C(=O)c3ccccc3C2=O)NC(=O)c4sc(c(c4)-c5ccnn5C)Cl	227
+FC(F)(F)c1cccc(CNCC(COc2ccc3C(=O)C(c4ccc(cc4)OC)=COc3c2)O)c1	122
+FC(F)(F)c1cccc(CNC(=O)c2cc(ncc2)-c3c(N)ccc(c3)OC(C)C)c1	0
+FC(F)(F)c1cccc(CNC(c2cc(-c3c(ccc(c3)N(CCC)CCC)N)ncc2)=O)c1	0
+FC(F)(F)c1cc(ccc1)CNCC(COc2ccc3C(=O)C(=COc3c2)c4ccc(cc4)O)O	5
+FC(F)(F)c1cccc(Cc2c(nn3c(N)cc(nc23)Cl)C)c1C	1994
+FC(F)(F)c1cccc(Cc2ccc(cc2)C(=O)O)c1	1
+FC(F)(F)c1cc(Cn2c(c(c3c2ccc(-c4ccc(cc4)OC)c3)-c5cccc(C(C)=O)c5)C(=O)O)ccc1	6
+FC(F)(F)c1cccc(F)c1CN2C(N(CC(N)c3ccccc3)C(=O)C(=C2C)Br)=O	12
+FC(F)(F)c1c(c(F)ccc1)CN2C(=O)N(CC(c3ccccc3)N)C(=O)C(c4c(cccc4)Cl)=C2C	1100
+FC(F)(F)c1cc(N(C(c2sc3nc(ccc3c2N)-c4sccc4)=O)C)ccc1	3455
+FC(F)(F)c1cccc(N2C(c3c(non3)NCCOS(=O)(=O)C)=NOC2=O)c1	7
+FC(F)(F)c1cccc(N2C(C)=CN=C(C(=O)NC)C2=O)c1	9366
+FC(F)(F)c1cccc(N2C(=O)N(C)C(c3ccc(C#N)cc3C(O)=O)C=4C(NCCC2=4)=O)c1	1
+FC(F)(F)c1cccc(N2C(=O)ON=C2c3nonc3NCCO)c1	88
+FC(F)(F)c1cccc(N2C(=NOC2=O)c3nonc3NCCN=[N+]=[N-])c1	133
+FC(F)(F)c1cccc(c1)N2N=C(C(C(=C2)OC)=O)C(C=CN(C)C)=O	3076
+FC(F)(F)c1cccc(N2N=C(C(=O)O)C(C(OC)=C2)=O)c1	4
+FC(F)(F)c1cccc(c1)N2C=C(OC)C(C(=N2)C(N(C)OC)=O)=O	2264
+FC(F)(F)c1cccc(N2N=C(N)C(C(=C2)OC)=O)c1	9367
+FC(F)(F)c1cccc(NC(N2CCCCc3cc(O)ccc23)=O)c1	5
+FC(F)(F)c1cccc(NC(=O)N2CCCCc3cc(Oc4cc(ncn4)N=[N+]=[N-])ccc23)c1	3533
+FC(F)(F)c1cccc(NC(=O)N2CCCCc3cc(ccc23)Oc4ncnc(N)c4)c1	1341
+FC(F)(F)c1cccc(N2C(=O)NC(C=3C(=O)CCCC2=3)c4ccc(cc4)C#N)c1	9368
+FC(F)(F)c1cccc(NC(=O)c2cc(-c3ccc(cc3)Nc4ncncc4I)c(C)cc2)c1	73
+FC(F)(F)c1cccc(NC(=O)c2ccc(C)c(-c3ccc(cc3)N)c2)c1	0
+FC(F)(F)c1cccc(NC(=O)N2CCCCc3cc(Oc4cc(Cl)ncn4)ccc23)c1	185
+FC(F)(F)c1cccc(NC(=O)c2ccc(C)c(-c3ccc(cc3)[N+](=O)[O-])c2)c1	1762
+FC(F)(F)c1cccc(c1)N2C(NC(c3c(cc(cc3)C#N)SC)C4=C2CCC4=O)=O	3065
+FC(F)(F)c1cccc(N2C=C(C(=O)C(C(=O)OC)=N2)OC)c1	1181
+FC(F)(F)c1cccc(Nc2cc(nnc2C(=O)N)Cl)n1	314
+FC(F)(F)c1cccc(Nc2cc(NCCN)nnc2C(=O)N)n1	232
+FC(F)(F)c1cccc(OCC(CNc2c([N+]([O-])=O)cc(c(C)c2)[N+]([O-])=O)=NOC)c1	60
+FC(F)(F)c1cc(OCC(Cn2nnc3c2cc(C)c([N+]([O-])=O)c3)=NOC)ccc1	2183
+FC(F)(F)c1cccc(c1)OCC(F)CCC2C(CC3OC(CC23)=O)O	682
+FC(F)(F)c1cccc(OCC(=NOC)CN)c1	18
+FC(F)(F)c1cccc(OCC(=NOC)CNc2c(cc(c(C)c2)[N+]([O-])=O)N)c1	0
+FC(F)(F)c1cccc(Oc2ncnc3c2cccc3N)c1	13
+FC(F)(F)c1cccc(Oc2cc(-c3c(N)ccc(N4CCCCC4)c3)ncn2)c1	0
+FC(F)(F)c1cc(ccc1)S(=O)(=O)Oc2cc(cc(c2)C)OCc3ccccc3	681
+FC(F)(F)c1cccc(S(=O)(=O)N2CCC(CC2)ON)c1	670
+FC(F)(F)c1cccc(-c2c3nc(NC(C)=O)nn3cc(Br)c2C)c1	784
+FC(F)(F)c1cccc(c1)-c2ccc(C(NC(C(NCCNc3ccc(cc3)OC(F)F)=O)CC4CCCCC4)=O)o2	9369
+FC(F)(F)c1cccc(c1)-c2c3OC(Cc3ccc2)CNC(OCc4ccccc4)=O	101
+FC(F)(F)c1cc(-c2cnnc(NN)n2)ccc1	9370
+FC(F)(F)c1cccc(-c2nc(c(N)c(c2)N)C#N)c1	13
+FC(F)(F)c1cccc(c1)-c2sc3c(n2)c(ccn3)CO	59
+FC(F)(F)c1cccc(c1)-c2nc3c(ccnc3s2)C=O	200
+FC(F)(F)c1cccc(C(=O)C=CN(C)C)c1	277
+FC(F)(F)c1cccc(C(Nc2cc(c(C)nc2)-c3cccc(c3)[N+]([O-])=O)=O)c1	796
+FC(F)(F)c1cc(C2(SCCCS2)C(O)c3cc(c(cc3)OC(F)F)C)ccc1	3077
+FC(F)(F)c1cccc(CC(=O)Nc2ccc(Br)cc2C(=O)OC)c1	26
+FC(F)(F)c1cc(ccc1)CC(C(OCC)=O)C(c2ccc(cc2)F)=O	9371
+FC(F)(F)c1cccc(c1)CNc2cc(ncn2)-c3c(ccc(c3)N4CCCCC4)N	0
+FC(F)(F)c1cc(ccc1)N2C(C)=C(C=C(C2=O)C(NCc3ccc(cc3)S(=O)(=O)C)=O)I	9372
+FC(F)(F)c1cccc(c1)N2C=3CCC(C)(C)C(C=3C(c4ccc(cc4)C#N)NC2=O)=O	160
+FC(F)(F)c1cccc(c1)N2C=3CCC(=O)C=3C(c4ccc(cc4S(=O)(=O)C)C#N)NC2=O	160
+FC(F)(F)c1cccc(N2C=C(C(=O)C(=N2)C(=O)C)OC)c1	1183
+FC(F)(F)c1cc(N2C=C(OC)C(=O)C(=N2)c3n(ncc3)-c4ccccc4)ccc1	4525
+FC(F)(F)c1cccc(c1)Nc2nc(ccn2)C3=CC(=C=[N-])[N+](C=C3)=O	9373
+FC(F)(F)c1cccc(c1)Nc2nccc(-c3ccnc(C#N)c3)n2	4685
+FC(F)(F)c1cccc(c1)OCC(CCC2C(OC3OCCCC3)CC4OC(CC24)O)F	2697
+FC(F)(F)c1cccc(OCC(CCC2C(OC(c3ccccc3)=O)CC4C2CC(O4)=O)F)c1	2124
+FC(F)(F)c1cccc(c1)OCC(CCC2C(CC3OC(CC23)=O)OC4OCCCC4)F	1646
+FC(F)(F)c1cccc(c1)Oc2cc(ccc2CO)Cl	98
+FC(F)(F)c1cccc(Oc2ccc(CO)cc2C#N)c1	41
+FC(F)(F)c1cccc(c1C(n2c3cccc(F)c3c(N4CC(C(CC4)C(O)=O)O)n2)=O)Cl	3
+FC(F)(F)c1cccc(Cc2c(N3C(=O)c4c(C3=O)cccc4)nn5C(=O)CC(=O)Nc25)c1C	1765
+FC(F)(F)c1c(-c2[nH]c3cc(C(=O)OC)ccc3n2)c(Cl)ccc1	622
+FC(F)(F)c1c(c(Cl)ccc1)COS(=O)(=O)C	7
+FC(F)(F)c1c(COS(=O)(=O)c2ccc(cc2)C)c(ccc1)Cl	36
+FC(F)(F)c1c(c(-c2nc(sc2)NC(=O)c3ccc(cc3)Nc4ccccn4)ccc1)F	548
+FC(F)(F)c1c(c(-c2nc(sc2)NC(=O)c3ccc(cc3)Nc4cnccn4)ccc1)F	548
+FC(F)(F)c1cccc(C(CCl)=O)c1F	9374
+FC(F)(F)c1cccc(-c2csc(n2)Cc3ccc(cc3)C(OC)=O)c1F	963
+FC(F)(F)c1cccc2C(N(Cc12)C(C(Nc3ncc(nc3)Br)=O)CC4CCCC4)=O	1018
+CC(C)(C)OC(NC(CC)C(=O)Nc1c(C(=O)CC(=O)Nc2sccn2)cccc1C(F)(F)F)=O	9375
+FC(F)(F)c1cccc2C(N(Cc12)C(C(Nc3ncc(C(CO)O)nc3)=O)CC4CCCC4)=O	265
+FC(F)(F)c1c2CCNc2ccc1	931
+FC(F)(F)c1cccc2c(-c3cc(Oc4cc(S(=O)(=O)CCCNS(=O)(=O)C)ccc4)ccc3F)ncnc12	111
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(c4)S(=O)(=O)CCCOS(=O)(=O)C)ccc3F)ncnc12	7
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(S(=O)(=O)CCCC#N)c4)ccc3Cl)nc(C)nc12	300
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(c4)S(=O)(=O)CCCC(N)=O)ccc3Cl)nc(C)nc12	527
+FC(F)(F)c1cccc2c(-c3cc(Oc4cc(ccc4)S(=O)(=O)CCCOS(=O)(=O)C)ccc3Cl)nc(C)nc12	7
+FC(F)(F)c1cccc2c(-c3cc(Oc4cc(S(=O)(=O)CCCN)ccc4)ccc3F)ncnc12	4782
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(S(=O)(=O)CCCC#N)c4)ccc3F)ncnc12	300
+FC(F)(F)c1cccc2c1sc(C(O)=O)c2C3CCN(CC3)C(=O)C	1
+FC(F)(F)c1c2nn(c(-c3ccc(cc3)OC)c2ccc1)Cc4ccccc4	4783
+FC(F)(F)c1cccc2c(-c3cc(Oc4cc(ccc4)S(=O)(=O)CCCO)ccc3F)ncnc12	304
+FC(F)(F)c1cccc2C(N(C(CC(C)C)C(Nc3nccnc3)=O)Cc12)=O	1018
+FC(F)(F)c1cccc2c1CN(C(C(=O)Nc3ncc(C(CO)O)nc3)CCSC)C2=O	265
+FC(F)(F)c1cccc2c1CN(C(CC(C)C)C(=O)O)C2=O	4
+FC(F)(F)c1cccc2C(=O)N(C(C(=O)O)CC3CCCC3)Cc12	4
+FC(F)(F)c1cccc2c1CN(C(CCSC)C(O)=O)C2=O	4
+FC(F)(F)c1cccc2c(c(c(nc12)C(CC)N)C(Nc3nccs3)=O)O	12
+FC(F)(F)c1cccc2c1nccc2OCCCCCOC3=COC(COS(=O)(=O)C)=CC3=O	2178
+FC(F)(F)c1c2c(c(C3CCN(CC3)C(=O)C)cs2)ccc1	1539
+FC(F)(F)c1c(-c2c(C)c(C(O)=O)[nH]c2C)cccc1	6
+FC(F)(F)c1ccccc1-c2nc3c(cccc3C)cc2CNc4ncnc5nc[nH]c45	516
+FC(F)(F)c1c(cccc1)-c2cc(c(N)c(Cl)c2)[N+]([O-])=O	196
+FC(F)(F)c1c(-c2c(C=O)cc3c(c(C)ccc3)n2)cccc1	691
+FC(F)(F)c1ccccc1-c2ccc(c([N+]([O-])=O)c2)N	11
+FC(F)(F)c1ccccc1-c2c(O)cc(cc2)C(OC)=O	11
+FC(F)(F)c1ccccc1-c2ccc(cc2)CN3CC(OCC3)C(C)C	11
+FC(F)(F)c1c(cccc1)C(N2CCNCC2)=O	2
+FC(F)(F)c1c(C(=O)N2CCN(CC2)C(=O)CNC(c3cnc(-c4ccccc4)cc3)=O)cccc1	4784
+FC(F)(F)c1ccccc1C(Nc2cc(c3c([nH]cn3)c2)C(=O)Nc4c(c(Cl)ccc4)C)=O	246
+FC(F)(F)c1ccccc1C(Nc2cc3c(c(c2)C(O)=O)[nH]cn3)=O	1
+FC(F)(F)c1c(C(N2CCN(CC2)Cc3ccccc3)=O)cccc1	30
+FC(F)(F)c1ccccc1C2=CCN(CC2)Cc3ccccc3	252
+FC(F)(F)c1c(C2CCN(CC2)Cc3ccccc3)cccc1	191
+FC(F)(F)c1ccccc1C2CCN(CC2)C(=O)c3c4CN(C(=O)C)Cc4[nH]n3	58
+FC(F)(F)c1ccccc1C2CCN(CC2)C(=O)c3c4c([nH]n3)CNC4	2
+FC(F)(F)c1ccccc1CCC(C)=O	1847
+FC(F)(F)c1c(CC(N)CN2C(c3c(cccc3)C2=O)=O)cccc1	9376
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(=O)c4cc(n(C)c4Cl)-c5c(cnn5C)Cl	697
+FC(F)(F)c1ccccc1CC(NC(=O)c2cc(cs2)-c3n(nc(Cl)c3CC)C)CN	45
+FC(F)(F)c1c(CCC(C)(C#N)N)cccc1	661
+FC(F)(F)c1c(cccc1)CCC2CN(Cc3ccccc3)CCN2	25
+FC(F)(F)c1c(CCC2CN(CCN2)C=3c4cc(C)sc4Nc5ccccc5N=3)cccc1	3073
+FC(F)(F)c1ccccc1CCN2CCC(CC2)(CN)c3ccccc3	51
+FC(F)(F)c1ccccc1CNC(C2CCC(CC2)Nc3nc(nc(n3)NC)-c4ccccc4)=O	9
+FC(F)(F)c1ccccc1COC2CN(C2)c3sc(C(=O)O)cn3	6
+FC(F)(F)c1ccccc1COC2CN(C2)c3sc(cn3)C(=O)N	1169
+FC(F)(F)c1ccccc1C#Cc2ccc(cc2)N3C(=O)NC(=N3)c4c(cccc4F)Cl	9377
+FC(F)(F)c1c(cccc1)Sc2ccc(cc2)Br	826
+FC(F)(F)c1ccccc1CCC2N(Cc3ccccc3)CCN(Cc4ccccc4)C2	9378
+FC(F)(F)c1ccccc1OC2CCN(c3ccc(nn3)C(=O)NN)C2	1726
+FC(F)(F)c1ccccc1OC2CN(c3ccc(nn3)C(OC)=O)CC2	212
+FC(F)(F)c1ccccc1S(=O)(=O)N	336
+FC(F)(F)c1c(S(=O)(=O)Nc2c(nccn2)Cl)cccc1	9379
+FC(F)(F)c1c2n(ccc1)c(-c3cccc(O)c3)c(C)n2	9380
+FC(F)(F)c1c(-c2cc3c(cc2)c(nc(C)n3)O)nccc1	1677
+FC(F)(F)c1cccnc1-c2cc([N+]([O-])=O)c(C#N)cc2	180
+FC(F)(F)c1cccnc1-c2ccc(C#N)c(c2)N	0
+FC(F)(F)c1cccnc1-c2ccc(c(N)c2)C(N)=O	2265
+FC(F)(F)c1cccnc1-c2cc(NC(C)=O)c(cc2)C(=O)N	26
+FC(F)(F)c1c(N2CCc3c(O)ncnc3CC2)nccc1	361
+FC(F)(F)c1cccnc1N2CCN(CC2)c3cc(nc(COC)n3)Nc4ccc(F)c(c4)F	73
+FC(F)(F)c1cccnc1N2CCN(CC2)c3cc(-c4cc(Cl)c(F)cc4)nc(n3)Cl	54
+FC(F)(F)c1cccnc1N2CCN(CC2)c3cc(Cl)nc(COC)n3	54
+FC(F)(F)c1ccn(n1)-c2nc3c(c(c2)O)ccc(c3Cl)OC	686
+FC(F)(F)c1nn(-c2nc(Cl)c(cc2)C)cc1	174
+FC(F)(F)c1nn(cc1)-c2ccc(C)c[n+]2[O-]	341
+FC(F)(F)c1ccn2cc(CC3CCCCN3C(c4nc(C)sc4-c5ccc(cc5)F)=O)nc2c1	837
+FC(F)(F)c1ccnc(CO)c1	59
+FC(F)(F)c1ccnc(NC(=O)c2cc(N)c(N)cn2)c1	13
+FC(F)(F)c1ccnc(NC(Nc2ccc(cc2)-c3c4n(ncnc4N)cc3C=C)=O)c1	9381
+FC(F)(F)c1ccnc(NC(Nc2ccc(cc2)-c3c(CC)cn4c3c(ncn4)N)=O)c1	1661
+FC(F)(F)c1ccnc(Nc2cc(cc(C)c2)-c3sc(nc3)C4(CCC5(OCCO5)CC4)C(N)=O)n1	527
+FC(F)(F)c1ccnc(Nc2cc(-c3cnc(cc3)CCC(=O)OCC)cc(C)c2)n1	1253
+FC(F)(F)c1ccnc(Nc2cc(cc(C)c2)-c3sc(nc3)C4(CCC(CC4)=O)C(N)=O)n1	97
+FC(F)(F)c1nc(Oc2ccccc2)ncc1	893
+FC(F)(F)c1ccnc(n1)Nc2cc(cc(-c3scnc3)c2)C4CC4	365
+FC(F)(F)c1ccncc1C(OS(=O)(=O)C)C(C)C	7
+FC(F)(F)c1ccnnc1N	1969
+FC(F)(F)c1ccnn2cc(Cc3ccccc3)nc12	1823
+FC(F)(F)c1cn(CC2CCNCC2)c3c1c(ncn3)Cl	2
+FC(F)(F)c1cn(CC2CCN(CC2)S(=O)(=O)C)c3c1c(ncn3)Cl	112
+FC(F)(F)c1cn(nn1)-c2ccc(C)cc2-c3cc(O)ncn3	104
+FC(F)(F)c1nc2CN(C(c3c(ccc(Cc4c5c(c(O)nn4)cccc5)c3)F)=O)CCn2c1	30
+FC(F)(F)c1cn2c(c(-c3ccc(cc3)S(=O)(=O)C)c(-c4cc(F)ccc4)n2)cc1	4785
+FC(F)(F)c1ccc2c(C(C=CN(C)C)=O)c(nn2c1)-c3ccc(cc3)F	277
+FC(F)(F)c1cn2c(c(C(O)=O)c(n2)-c3cc(F)ccc3)cc1	1
+FC(F)(F)c1cnc(-c2c(c(O)c(cc2F)Cl)N)c(Cl)c1	0
+FC(F)(F)c1ccc(nc1)-c2ccc(cc2)C(CCCC)Oc3ccc(cc3)C(NCCC(=O)OC)=O	20
+FC(F)(F)c1cc(Cl)c(nc1)-c2cc([N+](=O)[O-])c(cc2)F	31
+FC(F)(F)c1cnc(-n2nc(CCC)c(c2)CCCO)cc1	44
+FC(F)(F)c1cnc(cc1)-n2nc(C(C)C)c(CCCO)c2	44
+FC(F)(F)c1cnc(-n2cc(CCCOc3c(cccc3CC(O)=O)C#N)c(CCC)n2)cc1	4
+FC(F)(F)c1ccc(nc1)-n2nc(CCC)c(C=O)c2	576
+FC(F)(F)c1cnc(-n2cc(CO)c(CCC)n2)cc1	536
+FC(F)(F)c1cnc(-n2cc(CCCOc3c(cccc3C#N)CC(OC)=O)c(CCC)n2)cc1	20
+FC(F)(F)c1cnc(-n2nc(c(c2)CCCOc3n(ncc3CC)CC(O)=O)C(C)C)cc1	3
+FC(F)(F)c1c(nc(nc1)Nc2cnc(OC)cc2)CCc3ccccc3C4(CC4)C(N)=O	801
+FC(F)(F)c1cnc(cc1)Nc2nccc(c2)C(=O)Nc3cc(cnc3)Br	487
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(C=C(C)C(O)=O)ccc(c2)OC(C)C	108
+FC(F)(F)c1cnc(Oc2cc(OCC(N(CC)CC)=O)ccc2CCC(=O)O)c(Cl)c1	3
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(ccc(OCCOC)c2)CCCO	44
+FC(F)(F)c1cnc(c(Cl)c1)Oc2cc(OCCOC)ccc2CCC(=O)O	3
+FC(F)(F)c1cc2c(nc1)sc(-c3c(cncc3)F)n2	9382
+FC(F)(F)c1cc(c(nc1)-c2cc(c(Cl)cc2)O)Cl	5
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(ccc(OC(C)C)c2)C=C(C)C(NS(=O)(=O)NC3CCC(CC3)C)=O	9383
+FC(F)(F)c1cnc(Oc2c(ccc(c2)O)CCC(=O)OCC)c(Cl)c1	241
+FC(F)(F)c1cnc(Oc2c(ccc(OCCOC)c2)CCCOC(=O)NS(=O)(=O)NCCc3ccccn3)c(Cl)c1	2438
+FC(F)(F)c1cnc(Oc2c(ccc(OCCOC)c2)CCCOC(=O)NS(=O)(=O)c3ccc(cc3)Cl)c(Cl)c1	9384
+FC(F)(F)c1cc(c(nc1)Oc2c(CCC(=O)NS(=O)(=O)CCCOC)ccc(OCCOC)c2)Cl	344
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)N	0
+FC(F)(F)c1cc(N)c(C#N)nc1	577
+FC(F)(F)c1cc(c(C(=O)N)nc1)N	13
+FC(F)(F)c1cnc(Cl)c(C#N)c1	1014
+FC(F)(F)c1cc(F)c(N2CCNCC2)nc1	2
+FC(F)(F)c1cc(c(O)nc1)N	13
+FC(F)(F)c1cnc(cc1)-n2cc(c(C(C)C)n2)C=O	576
+FC(F)(F)c1cnc(cc1)-n2cc(c(C(C)C)n2)CO	536
+FC(F)(F)c1cnc(-n2cc(CCC(OCC)=O)c(n2)C(C)C)cc1	4779
+FC(F)(F)c1ccc(Cn2nc(I)c3c2cccc3[N+](=O)[O-])nc1	4631
+FC(F)(F)c1ccc(C#N)nc1	577
+FC(F)(F)c1cnc(cc1)NC	70
+FC(F)(F)c1c[n+]([O-])c(Cl)cc1	341
+FC(F)(F)c1ccc(Oc2cc(cc(C)c2)CO)nc1	136
+FC(F)(F)c1ccc(nc1)NCC2C(CCCN2C(c3c(-n4nccn4)ccc(F)c3C)=O)C	9385
+FC(F)(F)c1ccc(N)[n+]([O-])c1	341
+FC(F)(F)c1cnc(cc1)OCCCON2C(c3c(C2=O)cccc3)=O	1395
+FC(F)(F)c1ccc(OCCCOc2c(I)cc(OC(=O)c3ccccc3)cc2Cl)nc1	126
+FC(F)(F)c1cnc(cc1)OCCCON	670
+FC(F)(F)c1cnc(nc1)NCC2C(CCCN2C(c3cc(F)ccc3-n4nccn4)=O)C	96
+FC(F)(F)c1cnc(nc1)NCC2N(CCCC2C)C(c3c(-n4nccn4)c(ccc3)F)=O	96
+FC(F)(F)c1cnc(nc1CCc2ccc(F)cc2CC(=O)N)Nc3ccc(cc3)C4CCN(CC4)C(=O)OC(C)(C)C	801
+FC(F)(F)c1cnc(nc1CCc2ccc(F)cc2CC(=O)N)Nc3ccc(cc3)C4CCNCC4	2
+FC(F)(F)c1cnc(SC)nc1C#Cc2ccccc2CC(OC)=O	4786
+FC(F)(F)C(N=S(C1CC1)(c2ccc(cc2)Nc3ncc(C(F)(F)F)c(OC(C(C)O)C)n3)=O)=O	118
+FC(F)(F)c1c(Cl)c2c([nH]cc2N)nc1	13
+FC(F)(F)c1csc(-c2c(-c3cc(cnc3)C(NN)=O)cnc(NC(=O)NCC)c2)n1	1872
+FC(F)(F)c1csc(-c2c(-c3cc4c(N(CCN(C)C)C=C(C(O)=O)C4=O)nc3)cnc(c2)NC(=O)NCC)n1	108
+FC(F)(F)c1csc(-c2cc(NC(=O)NCC)ncc2-c3ccc4c(c3)N(CC)C=C(C4=O)C(=O)O)n1	108
+FC(F)(F)c1csc2c1c(ncn2)O	1868
+FC(F)(F)c1c(C(=O)O)c2ccc(OC)cc2n1C	6
+FC(F)(F)c1n(nc(-c2c(cc(c(c2)N(C)CCC)N)F)c1Cl)C	0
+FC(F)(F)c1c(c(-c2cc(F)c([N+]([O-])=O)cc2F)nn1C)Cl	1188
+FC(F)(F)c1n(C)nc(c1)-c2c(cc(c(F)c2)[N+](=O)[O-])F	31
+FC(F)(F)c1n(nc(c1Cl)-c2c(cc(O)c(c2)[N+](=O)[O-])F)C	5
+FC(F)(F)c1n(nc(c1Cl)-c2c(cc3OCC(=O)Nc3c2)F)C	1290
+FC(F)(F)c1n(nc(-c2cc(OC)c(cc2F)N)c1Cl)C	0
+FC(F)(F)c1c(cnn1-c2nc(-c3ccccc3OCc4ccc(cc4)OCCOC)ccc2)C(=O)O	6
+FC(F)(F)c1n2CCC(Cc2nn1)c3n4ccnc(c4c(Br)n3)N	522
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1)c(C(N4CCN(CC4)C(c5ccccc5)CC)=O)cn2	2778
+FC(F)(F)c1n2c(c(C(N3CCNCC3C)=O)cn2)nc(-c4ccc(cc4)OC)c1C	2
+FC(F)(F)C1=CC(=S)Nc2c(C(=O)OC)cnn12	9386
+FC(F)(F)c1nnc2CC(CCn12)c3n4ccnc(Cl)c4cn3	856
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)O)CC2	9387
+FC(F)(F)c1nnc2n1nc(N3CCNCC3)cc2	2
+FC(F)(F)c1cc(nc2n1ncc2-c3nc(no3)-c4ccnc(c4)N)-c5cc(c(C(F)(F)F)cc5)C	9388
+FC(F)(F)c1nn(CC(Nc2c(c3c(CCCC3)s2)C(=O)N)=O)cc1C=O	1460
+FC(F)(F)c1nn(cc1C=O)Cc2nc3sc(C)cc3c(O)n2	3568
+FC(F)(F)c1nn(CC(=O)Nc2sc3CCCCc3c2C(NCCO)=O)cc1C=O	1460
+FC(F)(F)c1nn(CC(=O)Nc2c(c3c(CCCC3)s2)C(=O)N)cc1CCO	1460
+FC(F)(F)c1nc(-c2cccc(-c3cc(c(c(c3)[N+]([O-])=O)O)O)c2)ccc1	5
+FC(F)(F)c1nc(no1)-c2cc(C(NCC3(CCOCC3)c4cc(-c5ccccc5)cs4)=O)ccc2	14
+FC(F)(F)c1nc(no1)-c2cccc(C(=O)N(C)CC3(CCOCC3)c4scc(-c5ccccc5)n4)c2	30
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(C)c3ccc(CN)c(Cl)c3	12
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(C)c3ccc(c(Cl)c3)CNS(=O)(=O)C	111
+FC(F)(F)c1nc(-c2ccc(c(Cl)c2)C)n(-c3ccc(cc3)S(=O)(=O)N)c1	9389
+FC(F)(F)c1nc(-c2ccc(cc2)CC(O)=O)no1	4
+FC(F)(F)c1nc(cs1)C(CNC(C)Cc2ccc(cc2)OCC(=O)OC)O	9390
+FC(F)(F)c1n2CCN(C(c3cc(Cc4c5c(c(O)nn4)cccc5)ccc3F)=O)Cc2c(C(=O)N6CCCC6)n1	30
+FC(F)(F)c1nc(ccc1)C2(CCNCC2)O	2
+FC(F)(F)c1ccc(c(Cl)n1)C=CC(NCc2cc(F)c(cc2)NS(=O)(=O)C)=O	711
+FC(F)(F)c1ccc(c(Cl)n1)C=CC(=O)NCc2cc(c(NS(=O)(=O)C)c(c2)C#C)F	711
+FC(F)(F)c1nc2c(cccc2)c(NN)n1	1021
+FC(F)(F)c1nc(Nc2ncnc(-c3ccc(cc3OC)F)c2)cc(c1)CSC	346
+FC(F)(F)c1c(sc(n1)Cl)C(=O)O	6
+FC(F)(F)c1ccc(c(F)n1)-c2nccc(CNC(=O)C3CC(F)CN3S(=O)(=O)c4ccc(cc4)F)c2	4787
+FC(F)(F)c1c(Br)nc(c(N)n1)-c2oc(nn2)Cc3ccccc3	9391
+FC(F)(F)c1ccc(C=O)c(N)n1	200
+FC(F)(F)c1nc(N2CC3C(C(CC3)OS(=O)(=O)c4ccc(cc4)Br)C2)ccc1	1226
+FC(F)(F)c1cccc(N2CCN(CC2)CCCCN3C(=O)CCC3)n1	28
+FC(F)(F)c1nc(NC(Nc2c3c(ncc2)ccc(C=4CCNCC=4)c3)=O)ccc1	366
+FC(F)(F)c1nc(O)c(CN2N=C3N(C=CC(c4ccc(cc4)Cl)=C3c5ccncc5)C2=O)cc1	104
+FC(F)(F)c1c(N)ccc(OCc2c(nnn2-c3c(cccc3Cl)Cl)C(C)C)n1	13
+FC(F)(F)c1nc(Oc2ccc(cc2)S(=O)(=O)Cl)ncc1	243
+FC(F)(F)c1nc(c(CCNC(=O)c2ccc(cc2)Oc3cc4c(cc3Cl)C(C(=O)O)CCO4)cc1)C5CC5	3
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(c3ccc(c(c3)F)CNS(=O)(=O)C)C	9
+FC(F)(F)c1nc(c(CNC(=O)C(C)c2cc(c(CNS(=O)(=O)C)cc2)C)cc1)N3CCCC3	111
+FC(F)(F)c1nc(c(CNC(=O)C(c2cnc(cc2)C(=O)N)C)cc1)N3CCC(CC3)C	862
+FC(F)(F)c1nc(c(CN)cc1)-c2cccc(C)c2	388
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2cc(C(OC)=O)c(cc2)Cl	246
+FC(F)(F)c1nc(c(cc1)CNC(Nc2cc3CCCc3nc2)=O)N4CCC(CC4)C	238
+FC(F)(F)c1nc(Cl)cc(CSC)c1	639
+FC(F)(F)c1nc(-c2cc(-c3cc(c(O)c([N+](=O)[O-])c3)OC)ccc2)ccc1	31
+FC(F)(F)c1nc(ccc1)-c2cccc(-c3ccc(O)c(OC)c3)c2	16
+FC(F)(F)c1nc(N2CC3CCC(O)C3C2)ccc1	323
+FC(F)(F)c1nc(C2(CCN(CC2)C(Nc3nc4c(ncnc4OC)s3)=O)O)ccc1	437
+FC(F)(F)c1cc(nc(-c2ccncc2)n1)Nc3c(C)ccc([N+](=O)[O-])c3	73
+FC(F)(F)c1nc(Nc2cc(cc(c2)-c3sc(nc3)C4(CCC4)O)-c5[nH]nnn5)ncc1	1174
+FC(F)(F)c1c(C(=O)O)cnc(n1)N	6
+FC(F)(F)c1c(cnc(n1)Nc2cccc(Cl)c2)C(=O)O	426
+FC(F)(F)c1nc(sc1)C(N)C	102
+FC(F)(F)c1c(sc(C)n1)C(=O)O	6
+FC(F)(F)c1n(c2c(c(C(O)=O)cc(N3CCOCC3)c2)n1)Cc4c(c(Cl)ccc4)Cl	1
+FC(F)(F)c1ccc2cc(c(nc2n1)C)C(=O)O	1
+FC(F)(F)c1c(nc2c(cc(OC)cc2)n1)-c3c(Cl)cc(C(=O)O)cc3	2235
+FC(F)(F)c1nc(c2c(n1)cccc2)NN=C(c3ccc(cc3)C)C	1713
+FC(F)(F)c1c(C)n2c(ccc(CO)n2)n1	453
+FC(F)(F)c1cn2c(CNCC2)n1	4441
+FC(F)(F)c1ncc(-c2ncc(c(n2)CCOC)CO)cc1	897
+FC(F)(F)c1ncc(cc1)-c2cc(C#N)ncn2	2266
+FC(F)(F)c1ncc(CN2N=C3N(C2=O)C=CC(c4ccc(cc4)C)=C3Cl)cc1	4768
+FC(F)(F)c1ccc(cn1)CN2C(=O)N3C(C(c4ccc(cc4)Cl)=C(c5ccc(cc5)C)C=C3)=N2	9392
+FC(F)(F)c1ccc(Oc2cc3c(cc2)nc(cc3)C(OC)=O)cn1	9393
+FC(F)(F)c1ncc(cc1)-c2ncnc(CN)c2	421
+FC(F)(F)c1ncc(cc1)-c2nc(c(COc3ccc(OC(C)(C)C(O)=O)c(C)c3)cn2)CCOC	3
+FC(F)(F)c1ncc(cc1)-c2cc(ncn2)CNC(CN(S(=O)(=O)c3ccc(cc3)F)C(C)C)=O	9
+FC(F)(F)c1ccc(cn1)-c2nc3n(ccc3c(O)n2)C	4521
+FC(F)(F)c1ncc(cc1)Cc2n3c(nn2)cc(c(Br)c3)-c4ccc(cc4)Cl	757
+FC(F)(F)c1ccc(Cc2nnc3cc(-c4ccc(cc4)Cl)c(-c5ccc(cc5Cl)Cl)cn23)cn1	89
+FC(F)(F)c1ccc(NC(=O)c2nn(c3ccc(Br)cc23)C4CCCCO4)cn1	510
+FC(F)(F)c1ccc(Nc2ccc(nc2)-c3ccc(cc3)C4CCC(CC4)CC(=O)OC)cn1	3405
+FC(F)(F)c1ncc(cc1)NC(=O)c2ccc(cc2)Oc3c(cc4C(CCOc4c3)C(=O)OC)C#N	487
+FC(F)(F)c1ncc(cc1)NC(=O)c2ccc(cc2)Oc3cc4c(C(CCO4)C(=O)O)cc3C#N	4
+FC(F)(F)c1c(C)cc(cn1)C(OC)=O	4788
+FC(F)(F)c1c(cc(cn1)CO)C	382
+FC(F)(F)c1ncc(cn1)Oc2ccc(cc2)C=O	3029
+FC(F)(F)c1ncc(cn1)Oc2c(F)cc(cc2F)CCOc3nc(c(Cc4cncnc4)cn3)O	3063
+FC(F)(F)c1ncc(cn1)Oc2ccc(cc2)CCO	1709
+FC(F)(F)c1ncc(cn1)Oc2ccc(cc2)C=C	2864
+FC(F)(F)c1cnc(cn1)NCC2N(CC3CC3C2)C(c4nc(ccc4-n5cccn5)C)=O	147
+FC(F)(F)c1nccc(c1)-c2nccnc2Oc3ccc(cc3)C(=O)c4[nH]c5c(n4)cccc5	1940
+FC(F)(F)c1nccc(c1C(=O)O)N	1
+FC(F)(F)c1nccc(n1)N2CCC(CC2)CN	51
+FC(F)(F)c1ncc(c(O)c1)I	625
+FC(F)(F)c1cc(ccn1)Oc2ccc(cc2)[N+]([O-])=O	46
+FC(F)(F)c1nccc(N2C(=O)NC(c3ccc(C#N)cc3Br)C=4C(=O)CCC2=4)c1	3065
+FC(F)(F)c1nccc(N)c1C(NC(C)Cc2ccc(c(c2)F)F)=O	56
+FC(F)(F)c1c(c(N)ccn1)C(NC(Cc2ccccc2)C)=O	56
+FC(F)(F)c1nccc(N2CCC(CC2)C#N)n1	143
+FC(F)(F)c1ncccc1-c2oc(nn2)-c3cc(c(O)c([N+]([O-])=O)c3)OC	5
+FC(F)(F)c1ncccc1-c2oc(-c3cc(c(O)c(O)c3)[N+](=O)[O-])nn2	5
+FC(F)(F)c1cc(ncn1)Nc2nc(-c3scnc3)cc(C)c2	834
+FC(F)(F)c1nn(c(c1)C(Nc2ccc(cc2)Br)=O)-c3ccccc3Cl	772
+FC(F)(F)c1nn(-c2ncccc2Cl)c(C3=Nc4c(C(O3)=O)cc5nsnc5c4Cl)c1	2241
+FC(F)(F)c1nn(c(c1)-c2ccc(cc2)-c3cocc3)-c4ccc(S(=O)(=O)C)c(F)c4	1628
+FC(F)(F)c1nn(-c2ccc(cc2)CC(=O)O)c3c1CCCC3	3
+FC(F)(F)c1nn(c(c1)CNC(=O)Nc2cc(F)c(CO)cc2)-c3c(OC)c(Cl)ccc3	238
+FC(F)(F)c1cc(n(n1)-c2c(cccn2)Cl)C(Nc3c(C(=O)NC)cc4c(nsn4)c3Cl)=O	1302
+FC(F)(F)c1cc(-c2c(cc(NC(=O)c3c(cccc3F)F)cc2)F)n(C)n1	50
+FC(F)(F)c1c(C(Nc2c(-c3cc(F)ccc3F)cccc2)=O)cn(n1)C	9394
+FC(F)(F)c1c(CCOS(=O)(=O)C)cn(n1)CC(=O)Nc2c(c3c(CCCC3)s2)C(=O)N	7
+FC(F)(F)c1nn(CC(N2CCC(CC2)C(N)=S)=O)c(C)c1	2670
+FC(F)(F)c1nn(CC(=O)Nc2c(nn3CCCC(c23)=O)C(=O)N)c4CCCCc14	3810
+FC(F)(F)c1cc(CNC(Nc2ccc(cc2)C(CO)(CO)O)=O)n(-c3cccc(c3)Cl)n1	238
+FC(F)(F)c1cc(CNC(=O)Nc2cc(F)c(CO)cc2)n(-c3cccc(c3)Cl)n1	238
+FC(F)(F)c1cc(n(-c2cccc(c2)Cl)n1)CNC(=O)Nc3ccc(nc3)C#N	238
+FC(F)(F)c1nn(c(c1)C(=O)Nc2ccc(cc2)-c3ccc(cc3)NC(C)=O)-c4c(Cl)cccc4	11
+FC(F)(F)c1nn(c2c1C(CC(C)(C)C2)=O)-c3ccc(C(N)=O)c(NC4CCC(CC4)N)c3	216
+FC(F)(F)c1c2CCNCc2n(CC(=O)Nc3c(OC)ccc(Cl)c3)n1	2
+FC(F)(F)c1c2c(n(n1)-c3ccc4c(c3)c(N)no4)C(N(c5ccc(cc5)N6C(=O)CCCC6)CC2)=O	2134
+FC(F)(F)c1nn(-c2ccccc2)cc1C(NCCN)=O	4340
+FC(F)(F)c1c(C(=O)O)cn(Cc2ccc(cc2)OC)n1	6
+FC(F)(F)c1c(C(C)O)cn(n1)Cc2nc3sc(C)cc3c(O)n2	9395
+FC(F)(F)c1nn(cc1CO)Cc2ccc3c(c2)CCC3N	102
+FC(F)(F)c1nn(cc1CO)Cc2cc3CCC(NS(=O)(=O)c4c(cccc4)OC)c3cc2	71
+FC(F)(F)c1nn2c(COC)ccc(C=O)c2c1	200
+FC(F)(F)c1sc(N(C)C2CCNCC2)nn1	62
+FC(F)(F)c1nnc(cc1)NC2CCN(CC2)Cc3ccc(cc3)F	48
+FC(F)(F)c1nnc(Oc2c(C=CC(=O)O)ccc(OCCOC)c2)cc1	108
+FC(F)(F)c1nnc(NC2CCNCC2)cc1	2
+FC(F)(F)c1nnc(N(C2CCN(CC2)C(OCc3ccccc3)=O)C)s1	9396
+FC(F)(F)c1nnc2CN(c3n4c(c(Br)n3)c(N)ncc4)CCn12	522
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCCOS(=O)(=O)C)CC2	7
+FC(F)(F)c1n(-c2ccc(cc2)O)nnn1	16
+FC(F)(F)c1oc(CN2c3ccccc3C4(COc5c4nc(O)cc5)C2=O)cc1	104
+FC(F)(F)c1oc(CN2c3ccccc3C4(c5c(OC4)cc6c(OCO6)n5)C2=O)cc1	981
+FC(F)(F)c1oc(CN2C(C(c3c2cccc3)c4c(cc5c(OCO5)c4)OCc6ccccc6)=O)cc1	462
+FC(F)(F)c1oc(CN2c3c(C(O)(c4c(OCc5ccccc5)cc6OCOc6c4)C2=O)cccc3)cc1	22
+FC(F)(F)c1onc(-c2cncc(c2)C(NCCc3nc(-c4ccc(cc4)C#N)oc3)=O)n1	56
+FC(F)(F)c1nnc(N(C)C2CCN(CC2)Cc3ccc(cc3)F)s1	171
+c1cc(ccc1Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC)-n4cccn4	4789
+c1cc(ccc1Br)Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC	4789
+FC(F)(C#N)C(F)(F)OC	143
+FC(F)(Oc1cccnc1C2CC2)C	2222
+FC(F)(Oc1cc(Nc2nccc(-c3cc(CN)ncc3)n2)ccc1)C(F)F	421
+FC(F)(Oc1cc(ccc1)Nc2nccc(n2)-c3ccnc(C(N)=O)c3)C(F)F	1200
+FC(F)(P(O)(O)=O)c1ccc(CN(S(=O)(=O)c2ccccc2)Cc3ccc(cc3)C(O)=O)cc1Br	1
+FC(F)(P(O)(O)=O)c1ccc(CN(S(=O)(=O)c2ccccc2)Cc3ccc(cc3)C(=O)OC)cc1Br	228
+FC(F)(Cl)c1c(cc(c(n1)O)C(O)=O)Cl	1
+FC(F)(CNC(c1ncccc1C)=O)c2c(cc(Cl)cc2)Cl	81
+FC(F)(c1c(Cl)cc(Cl)cc1)CN	18
+FC(F)(c1ccc(F)c2ccccc12)C(Nc3ccc([N+](=O)[O-])c(CCOC(C)=O)c3F)=O	26
+FC(F)(c1cc(ccc1F)N)C	0
+FC(F)(C)c1cc(N)c(cc1)C(=O)OC	0
+FC(F)(CNc1ccc(C#N)c(c1F)CC(=O)OCC)c2ccc(cn2)C	60
+FC(F)(c1ccc(C)cn1)CN	18
+FC(F)(CI)c1ncc(cc1)C	343
+FC(F)(CNc1c(c(CCO)c(cc1)Cl)F)c2ccc(c3ccccc23)F	15
+FC(F)(C(Nc1ccc(c(CCOC(C)=O)c1F)N)=O)c2ccc(F)c3ccccc23	0
+FC(F)(c1nc2cc(ccc2c(SC)n1)C#N)c3ccc(F)cn3	2627
+FC(F)(C(F)(F)Cl)c1ccc(cc1)NC(=O)c2cc(c(nc2)Cl)Br	246
+FC(F)(c1c(cc(Cl)cc1)Cl)CN=[N+]=[N-]	310
+FC(F)(c1ccc(C)cn1)CO	44
+FC(F)(c1ncc(F)cc1)c2nc3c(cccc3Cl)c(n2)O	4790
+FC(F)(c1ncc(F)cc1)c2nc(c3ccc(cc3n2)OC)O	4790
+FC(F)(C(Nc1c(C(N)=O)cccc1)=O)c2ccc(F)cn2	33
+FC(F)(C(=O)Nc1ccc(c(CCO)c1F)Cl)c2ccccc2	1030
+FC(F)(c1ccccc1)CNc2c(F)c(c(cc2)Cl)CC(=O)O	2154
+FC(F)(c1ccccc1)CNc2c(c(c(cc2)Cl)CC=O)F	24
+FC(F)(c1nc2cc(ccc2c(SC)n1)C(N)=O)c3ccc(F)cn3	2265
+FC(F)(c1nc2c(cccc2)c(n1)Nc3ncc(C)s3)c4ncc(cc4)F	9397
+c1cc(ccc1S(=O)(=O)OCC(F)(F)c2ncccc2)C	36
+c1nc(ncc1)C(F)(F)CN	18
+FC(F)(c1nn2cc(nc2s1)-c3oc4cccc(N)c4n3)C	13
+FC(F)(c1nn2cc(-c3nc4c(cccc4[N+]([O-])=O)o3)nc2s1)C	9398
+O=S(=O)(C)OCCC(C)=C(F)F	7
+FC(F)=C(CCOC(c1c(C)nc(OCCCCCl)nc1)=O)C	3078
+FC(F)=C1C2(C)C(CC1)C3C(C(OC)C2)c4ccc(O)cc4CC3	805
+O=S(=O)(c1c(F)cc(-n2c(cc(n2)C(F)F)-c3cc(Cl)c(cc3)C)cc1)N	4623
+FC(F)C(N=C1C=CC=CN1Cc2ccc(nc2)F)=O	9399
+FC(F)c1cc(ncn1)O	9400
+FC(F)c1[nH]c2cc(cc(Br)c2n1)[N+](=O)[O-]	442
+FC(F)c1[nH]c2c(c(cc(c2)[N+]([O-])=O)OC)n1	442
+FC(F)C1(NC(COC1)=S)c2cccc(c2F)F	199
+FC(F)C1(c2cccc(c2F)F)COCC(=N1)N	4791
+FC(F)C1(COCC(=N1)N)c2cc([N+](=O)[O-])cc(c2F)F	77
+FC(F)c1ncnc(O)c1Oc2cc(Cl)cc(C#N)c2	9401
+FC(F)CCOc1c(ccc(C#Cc2ccc(c(C)c2)OC(F)F)c1)F	455
+Fc1cccc(F)c1S(=O)(=O)Nc2c(ccc(-c3c(-c4ccnc(NCC(F)F)n4)sc(n3)C(C)C)c2)F	96
+FC(F)COc1cc(c(C#N)nc1)Cl	1286
+FC(F)COc1cc2ncnc(Nc3cc(c(F)cc3)Cl)c2cc1[N+](=O)[O-]	724
+FC(F)COc1ccccc1	2983
+FC(F)Cn1ncnc1	4540
+FC(F)COc1cc(NC)c(cc1C(OCC)=O)N	0
+FC(F)COc1c(cc(N)c(NC)c1)C(=O)Nc2ccc(cc2)Br	0
+FC(F)COc1cc(c(C(O)=O)nc1)Cl	876
+FC(F)COc1c(C(=O)OCC)cc(N)c(N)c1	0
+FC(F)COc1cc2c(cc1N)c(Nc3cc(c(F)cc3)Cl)ncn2	0
+c1cc(ccc1OCC(F)F)C(CCCCCl)c2[nH]c(Nc3cc(F)c(cc3)-n4c(nc(n4)C)C)nn2	4792
+c1cc(ccc1C(c2c(ccc(Br)c2)Cl)=O)OCC(F)F	222
+FC(F)Oc1cc(C=O)cc2c1OC(C)C(=O)N2	1548
+FC(F)Oc1ccnc(c1C)CSc2nc3ccccc3[nH]2	1548
+FC(F)Oc1cnc(Cl)c(c1)Cl	9402
+c1cc(ccc1-n2cccn2)Cc3c(OC(F)F)nc4c(c3C)c(OCC(=O)OC)ccc4Cl	9403
+c1cc(ccc1C(=COC(F)F)C(NCCc2ccc(OCc3ccccc3)c(OC)c2)=O)Cl	9404
+FC(F)Cn1ncc(c1)Nc2ncc3c(n2)n(CC4CCCN(C4)S(=O)(=O)C)nc3	2827
+FC(F)N1C(=NN(c2cc(c(C)cc2Cl)OC(C(=O)O)C)C1=O)C	4
+FC(F)N1C(=O)N(c2c(cc(C)c(OC)c2)Cl)N=C1C	662
+FC(F)N1C(=NN(c2c(cc(C)c(O)c2)Cl)C1=O)C	5
+FC(F)N1C(N(N=C1C)c2c(cc(OCc3cccc(OC(C)C(OC)=O)c3)cc2)F)=O	139
+FC(F)N1C(N(c2ccc(N)cc2F)N=C1C)=O	0
+c1cc(ccc1C(=O)O)Oc2cc(N3N=C(N(C3=O)C(F)F)C)c(F)cc2Cl	6
+FC(F)N1C(=O)N(c2ccc(cc2F)O)N=C1C	956
+C1C(CC1C(=O)O)COC(F)F	3
+FC(F)OCCCc1cc(cc(Br)c1C)C=O	1766
+FC(F)Oc1c(Cl)c(-c2cc(c(cc2Cl)Cl)C3C(C#N)(O3)C(=O)OCC)nn1C	9405
+FC(F)Oc1c(c(-c2ccc(Cl)c(c2)CO)nn1C)Cl	59
+FC(F)Oc1c(F)c(F)c(c(C(=O)C(C(=O)OCC)=COCC)c1F)[N+]([O-])=O	4793
+FC(F)Oc1c(F)c(cc(F)c1F)C(=O)O	6
+FC(F)Oc1c(F)c(C(=O)OCC)cc(F)c1N=[N+]=[N-]	1870
+FC(F)Oc1c(c(F)cc(c1F)C(OCC)=O)N	912
+C1CC1N2c3c(OC(F)F)c(c(c(N)c3C(C(=C2)C(OCC)=O)=O)F)F	0
+FC(F)Oc1ccccc1N2N=C(C(=O)C(=C2)OC)C(=O)C	1183
+FC(F)Oc1c(OC)cc(cc1)CO	41
+FC(F)Oc1c(Cl)c(nn1C)-c2ccc(Cl)c(COC(C)=O)c2	283
+FC(F)Oc1c(N)c(F)cc(C(=O)O)c1F	6
+FC(F)Oc1c(F)c(c([N+](=O)[O-])c2C(C(C(=O)OCC)=CN(C3CC3)c12)=O)F	2020
+FC(F)Oc1ccc(Br)c(OCC(=O)O)c1OC	3
+c1(cc(cc(F)c1)C2(SCCCS2)C(O)c3cc(c(cc3)OC(F)F)C)F	3077
+c1ccccc1CCCC(n2cnc3c(nc(nc23)Cc4cc(c(cc4)Cl)OC(F)F)O)C(O)C	4794
+FC(F)Oc1c(N2C=C(C(=O)C(=N2)C(N(OC)C)=O)OC)cccc1	2264
+FC(F)Oc1c(cccc1)N2C=C(C(C(C(=O)OC)=N2)=O)OC	1181
+FC(F)Oc1c2oc3c(c2c(C(O)=O)cc1)cncc3	1
+c1cc(ccc1[N+]([O-])=O)OC(c2c3c4c(ccnc4)oc3c(OC(F)F)cc2)=O	852
+FC(F)Oc1cc2n3c(nnc2c(OC)c1)c(C)nc3-c4cncc(OC)c4	2051
+FC(F)Oc1cc(-n2cc(C)nc2-c3cncc(OC)c3)c(c(OC)c1)N	0
+FC(F)Oc1cc(nn1C)-n2c(c(C(=O)O)cn2)C	6
+FC(F)Oc1cc(nn1C)-n2ncc(c2C)C#N	4740
+FC(F)Oc1c(cc(F)c(NN)c1)Cl	427
+FC(F)Oc1cc(Nc2c3cc(NC(c4ccc(nc4)OC)=O)ccc3nc(-c5nccnc5)n2)ccc1	971
+FC(F)Oc1cc(-n2cc(nc2-c3cc(cnc3)OC)C)c([N+]([O-])=O)c(c1)OC	4795
+FC(F)Oc1cc(N)c(cc1Cl)F	0
+FC(F)Oc1cc(C)cc(C)c1CC=O	9406
+FC(F)Oc1cc(Nc2c3cc(ccc3nc(n2)-c4nccnc4)N)ccc1	0
+FC(F)Oc1c(ccc(CC=O)c1)C#N	2775
+FC(F)Oc1cc(-n2ncc(c2C)C(=O)N)nn1C	9407
+FC(F)Oc1n(nc(c1Cl)-n2c(N)c(C#N)cn2)C	1188
+FC(F)Oc1n(nc(-n2c(c(C#N)cn2)C)c1Cl)C	1188
+FC(F)Oc1cc(nn1C)-n2c(c(cn2)C#N)N	9408
+FC(F)Oc1cc2cc3c(C(OC3=O)=O)nc2cc1	9409
+FC(F)Oc1cc2c(nc(C(=O)O)c(C(O)=O)c2)cc1	1
+FC(F)Oc1ccc(cc1OC)-c2nnc(cc2)NN	599
+FC(F)Oc1c(OC)cc(cc1)-c2n[n+]([O-])c(cc2)N	9410
+FC(F)Oc1c(CCOC)cc(cc1)Br	1541
+FC(F)Oc1c(C)cc(cc1)C#Cc2ccc(F)c(c2)OCC	455
+FC(F)Oc1ccc(cc1OCC)C(CC(=O)OC)N2Cc3c(C2=O)c(NC(=O)C)ccc3	26
+FC(F)Oc1ccc(C(CC(=O)OC)N2Cc3cccc(N)c3C2=O)cc1OCC	0
+FC(F)Oc1ncc(C=CC(O)CCCCc2nc3c(CCCN3)cc2)cc1	4796
+FC(F)Oc1c(OC)cc(Cc2nc3n(CC(C)O)cnc3c(n2)O)cc1	4794
+FC(F)Oc1c(OC)cc(CC#N)cc1	177
+FC(F)Oc1ccc(c(c1OC)O)Br	241
+FC(F)Oc1ccc(cc1-c2nn(cc2NC(=O)c3c4n(cccn4)nc3)CCNCc5cccnc5)Cl	132
+c1cnccc1CNCCn2nc(c(c2)NC(=O)c3c4n(cccn4)nc3)-c5cc(Cl)ccc5OC(F)F	132
+FC(F)Oc1cc([N+](=O)[O-])c(F)cc1Cl	31
+FC(F)Oc1ccc(-c2ccc(nn2)N)cc1OC	2574
+FC(F)Oc1c(cc(cc1)C(N2C(=O)c3c(cccc3NC(=O)C)C2)CC(O)=O)OCC	4
+FC(F)Oc1cc2c(nc(c(C(=O)O)c2)C(=O)OC)cc1	1
+CC(C)C1(NC(=NC1=O)c2nc3ccc(cc3cc2C(O)=O)OC(F)F)C	9411
+FC(F)Oc1cccc(F)c1C(O)=O	1
+FC(F)Oc1cc(ccc1)Nc2c3cc([N+](=O)[O-])ccc3nc(-c4nccnc4)n2	73
+c1cnccc1-c2n3nc(ccc3nc2NC(=O)C)-c4cc(c(nc4)Cl)NS(=O)(=O)c5cccc(c5)OC(F)F	9412
+FC(F)Oc1cccc(c1)S(=O)(=O)Nc2c(ncc(c2)-c3ccc4nc(NC(C)=O)c(n4n3)I)Cl	3079
+FC(F)Oc1ccccc1COc2c(C(=O)OC)sc(-n3cnc4cnccc34)c2	3080
+FC(F)Oc1ccccc1COc2cc(-n3c4ccncc4nc3)sc2C(=O)N	1355
+CN(C)C=CC(C1=NN(c2c(cccc2)OC(F)F)C=C(OC)C1=O)=O	3076
+FC(F)Oc1c(O)nccc1	104
+FC(F)Oc1ccc(nc1)CO	194
+c1c(Cl)c(c(cc1N)Cl)Oc2c(cc(OC(F)F)cn2)Cl	136
+FC(F)Oc1c(c(-c2c(Cl)cc(c(c2)C(=O)O)Cl)nn1C)Cl	1182
+FC(F)Oc1n(nc(c1Cl)-c2ccc(Cl)c(N)c2)C	0
+FC(F)Oc1ncc(cc1Cl)COC	382
+FC(F)Oc1c(Cl)cc(cn1)C=O	200
+FC(F)Oc1ccc(C=CC(CCCCc2nc3c(CCCN3)cc2)=O)cn1	9413
+FC(F)Oc1ncc(CO)cc1Cl	88
+FC(F)c1n(-c2nc(nc(c2)Cl)SC)c3c(cccc3)n1	4648
+C1CN(CCO1)c2nc(Cl)nc(-n3c(C(F)F)nc4c(OC)cccc34)n2	4647
+FC(F)c1c(-c2cc(O)ncn2)c(c(Cl)cc1)F	104
+FC(F)c1c(C(OCC)=O)cc(c(n1)O)Cl	395
+FC(F)c1nc(c(cc1C(OCC)=O)C#N)N2CC(C2)C(NS(=O)(=O)Cc3ccccc3)=O	43
+FC(F)c1ncc(cc1C(=O)O)CNC(=O)C(C)C	6
+c1cc(ccc1-c2oc3cc(c(cc3c2C(NC)=O)C4CC4)N(S(=O)(=O)C)c5ccc(c(C(F)F)c5)Br)F	1078
+FC(F)c1cc(N)c(cc1I)C(OC)=O	184
+FC(F)c1cc(N2C3=C(C(NC2=O)c4ccc(cc4)C#N)C(CC3)=O)ccc1	160
+FC(F)c1cc(N2C=3CCC(=O)C=3C(NC2=O)c4ccc(cc4)Br)ccc1	4758
+FC(F)c1c(Br)c(C)n(C2OCCCC2)n1	1738
+FC(F)c1nc(c(cc1C(OCC)=O)C#N)N2CC(C2)C(=O)NS(=O)(=O)Cc3c(F)cccc3F	344
+C1N(CC1C(=O)NS(=O)(=O)c2ccc3ccccc3c2)c4nc(c(cc4C#N)C(=O)OCC)C(F)F	344
+c1cc(ccc1)CS(=O)(=O)NC(C2CN(C2)c3c(C#N)cc(c(n3)C(F)F)C(=O)O)=O	6
+c1cc(ccc1OC)CN2C(=O)C(Br)=C(C(F)F)N=C2	9414
+c1cc(ccc1I)C(N(OC)C(=O)c2cn(nc2C(F)F)C)C	3025
+c1c(Cl)c(c(cc1Cl)Cl)CCCC(C)NC(=O)c2c(C(F)F)nn(C)c2	597
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3scc(C4=NOC(C4)c5ccccc5CO)n3	41
+c1cc(ccc1C(c2c(nc(Br)n2CC=C)C(OCC)=O)Nc3cn4c(nnc4C(F)F)c(c3)C)Cl	9415
+FC(F)c1nnc2n1cc(N)cc2C	13
+FC(F)c1sc(C(Nc2n(CC3N(CCC3)C(=O)CC#N)c4ccc(CO)cc4n2)=O)cc1	10
+C1N(CC1Cn2c3c(cccc3)nc2NC(c4sc(cc4)C(F)F)=O)C(=O)CC#N	10
+FC(F)c1sc(C(=O)Nc2n(c3ccc(cc3n2)C=O)CC4N(CCC4)C(=O)CC#N)cc1	39
+FC(F)n1nc(c(Cl)c1)C(N(C)OC)=O	4797
+FC(F)n1nc(CNc2cc(c(F)cc2)C3(N=C(N)COCC3(F)F)CC)c(Cl)c1	9416
+FC(F)n1cc(Cl)c(n1)C(=O)O	1
+FC(F)n1cc(c(C=O)n1)Cl	2231
+FC1(F)C(C(C2C(C1)(C(OC2C)=O)CCC(=O)N)C=Cc3ncc(Br)cc3)C	83
+FC1(F)CC2(CCC(=O)N)C(=O)OC(C)C2C(C1C)C=Cc3ncc(cc3)-c4c(cccc4)C#N	89
+FC1(F)C(C2c3ccccc3N(CC(N)=O)CC2)C1	3950
+FC1(F)C(C2CCNc3ccccc23)C1	15
+FC1(F)CC1C2c3c(cccc3)N(CCN)CC2	15
+FC1(F)C(CC(CNC(=O)c2cc(CCO)n3cccc(Cl)c23)CC1)C	88
+FC1(F)C(CN2c3c(nc(-c4cc(C(=O)O)ccc4C)cc3)N(S2(=O)=O)C)C1	1
+FC1(F)C(CN2c3c(nc(-c4c(C)ccc(CN5CCN(CC5)C(=O)C(O)C)c4)cc3)N(S2(=O)=O)C)C1	10
+FC1(F)C(CN2c3c(nc(-c4cc(CO)ccc4C)cc3)N(S2(=O)=O)C)C1	49
+FC1(F)C(F)(F)CN(C1)c2c(F)c(N3C=C(C(C(c4n(ncc4)-c5ccccc5)=N3)=O)OC)ccc2	79
+FC1(F)C(N(c2c(nc(nc2)Nc3cc(c(cc3OC)C(=O)O)F)N(C4CCCC4)C1)C)=O	1
+FC1(F)C(N(c2c(nc(nc2)Nc3c(cc(c(F)c3)C(NC)=O)OC)N(C4CCCC4)C1)C)=O	14
+FC1(F)CCCC(Nc2cnc(C#N)c(Cl)n2)C1N	464
+FC1(F)CC(C1)c2onc(-c3cc(NC(c4cnc5ccc(CCC(C)=O)cn45)=O)c(cc3)C)n2	466
+FC1(F)CC(C1)c2onc(-c3cc(NC(c4n5cc(ccc5nc4)CCC(C)(C)O)=O)c(cc3)C)n2	736
+FC1(F)CCC(N2CC(C)(C)C(=O)Nc3cnc(Cl)nc23)C1	2044
+FC1(F)C2N(C(C1)CC(=O)C2)Cc3ccccc3	86
+FC1(F)CCC(C(Nc2cc3c(cc2)[nH]cc3C(=O)C)=O)C1	432
+FC1(F)CCC(C(Nc2cc3c([nH]cc3)cc2)=O)C1	33
+C1CC(CCC1)C(=O)C2CCC(CC2)(F)F	86
+FC1(F)CCC(CC1)C=O	24
+FC1(F)CCCC(CNC(=O)c2cc(n3cccc(Cl)c23)CCOCC)(O)C1	56
+FC1(F)CCCC(Nc2cnc(C#N)c(Nc3ccc(cc3)-c4ccncc4)n2)C1N	1410
+FC1(F)CCCC(Nc2cnc(c(Nc3ccc(cc3)-c4ccncc4)n2)C(=O)N)C1N	1198
+C1CN(CCC1(F)F)CCO	95
+FC1(F)CCN(CC1)c2c3c(ncc(C(N)=O)c3)cnc2	393
+FC1(F)CCN(CC1)c2c3cc(C(O)=O)cnc3cnc2	6
+FC1(F)CCN(CC1)c2sc(-c3ccc(cc3)N4CCS(=O)(=O)CC4)c(C5C(C(O)=O)CCCC5)n2	4
+FC1(F)CN(C1)c2ncc(nc2OCC3CC3)C(N4CC5OCC4C5)=O	777
+FC1(F)CN(C1)c2c(nc(C(NC(C)(C)CC(NC)=O)=O)cc2)OCC3CC3	9
+FC1(F)CN(C1)c2c(nc(C(=O)NC(C)(C)CC(O)=O)cc2)OCC3CC3	3
+FC1(F)CN(C1)c2ccc(nc2OCC3CC3)C(=O)O	1
+FC1(F)C(N(c2c(nc(Nc3ccc(cc3OC)C(=O)O)nc2)N(C4CCCCC4)C1)C)=O	55
+O=S(=O)(OC=1c2ccccc2C(=O)N(CC(N(CC)c3ccc4OC(F)(F)Oc4c3)=O)N=1)c5ccc(cc5)C	9417
+FC1(F)Oc2c(O1)ccc(C=CC(N)=O)c2	2045
+c1cc(ccc1CCCCn2nncc2)OCc3nc(C=Cc4cc5OC(F)(F)Oc5cc4)oc3	547
+FC1(F)Oc2c(ccc(CO)c2)O1	611
+FC1(F)Oc2cc(ccc2O1)CC#N	177
+FC1(F)Oc2cc(NC(=O)c3c(NCc4ccnc(Nc5nc(cs5)C)c4)cccc3)ccc2O1	1731
+FC1(F)Oc2c(cccc2N3N=C(C(C)=O)C(=O)C(OC)=C3)O1	1183
+FC1(F)Oc2c(cccc2N3N=C(C(O)=O)C(=O)C(OC)=C3)O1	4
+CN(C)C=CC(C=1C(=O)C(=CN(N=1)c2cccc3c2OC(F)(F)O3)OC)=O	3076
+FC1(F)Oc2c(cccc2N3N=C(C(=O)C(=C3)OC)C(N(C)OC)=O)O1	2101
+FC1(F)Oc2c(ccc(NC(c3c(cccc3)N)=O)c2)O1	0
+C(c1c(cccc1)F)(Nc2ccc(cn2)-c3cc4OCCc4cc3Br)=O	9418
+FC1(F)Oc2cc(NC(c3c([N+](=O)[O-])cccc3)=O)ccc2O1	50
+FC1(F)Oc2ccc(C3(CC3)C(Nc4ccc(c(-c5c(ncc(C)c5)O)n4)C)=O)cc2O1	104
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4nc(c(C)c(c4)C)-c5ccc(nc5)OC)=O	3081
+O=S(=O)(C)NC(=O)c1cc(ccc1)-c2nc(NC(=O)C3(CC3)c4ccc5OC(F)(F)Oc5c4)ccc2C	258
+FC1(F)Oc2cccc(c2O1)NN	427
+c1(c(N)c(c2C(C(=CN(C3CC3F)c2c1C)C(OCC)=O)=O)[N+](=O)[O-])F	623
+N1(CC(F)CC1C(Nc2nc(ccc2)Cl)=O)C(=O)Cn3c4c(cc(cc4)Nc5nnccc5)c(C(N)=O)n3	348
+c12c(C(=O)N(C1=O)C(C)C3=C(C(N4C=C(F)C=CC4=N3)=O)Br)cccc2	4798
+FC=1C=CC2=NC(=C(C(N2C=1)=O)Br)C(C)O	3604
+c12c(cc([N+]([O-])=O)cc1nc([nH]2)CF)Br	442
+C(F)C(Nc1c(OC)cc(c(O)c1)C)=O	3976
+C(F)C(CF)(C)C(CC#N)=O	1982
+c1cc(ccc1)OC(=O)Nc2onc(C(CF)(CF)C)c2	4799
+FCC1(CF)Oc2c(cc(I)cc2)C(=C1)C(OCC)=O	158
+FCC1(CF)Oc2ccc(N)cc2C(=C1)C(OCC)=O	0
+n1n(cc(I)c1)CCF	1717
+S(c1cc(nc(NCCF)c1)N)C	9419
+c1ccccc1CON2C(c3c(N(CCF)C2=O)cc(c(F)c3)F)=O	9420
+c1cc(ccc1OCCOCCOCCF)-c2ccc3c(c2)ccc(c3)N	72
+c1cc(ccc1-c2cc3ccc(cc3cc2)OCCOCCOCCF)[N+](=O)[O-]	72
+FS(F)(F)(F)(F)c1cc2c([nH]cc2CN3C(C=4N(CC3)C(C(=CC=4)n5cc(nc5)C)=O)=O)cc1	3055
+N#CC(C#N)=C(C)c1cc2ccc(cc2cc1)N(CCOCCF)C	559
+O=S(=O)(C)Nc1cccc2n(ccc12)C(CC)(c3ccc(cc3)Cl)CCF	559
+c1c(Br)nc(CF)cc1	9421
+c1cc(ccc1)C(C)N2C(CC(C2)CC(CF)C)=O	559
+c1ccccc1CN(C2CCCC2)CC(C(=O)OCC)(F)C	9422
+c1cc(ccc1-c2cn3c(cc(C)c(CCF)c3)n2)N(C)C	559
+c1cc(ccc1-c2csc(N3C(COC3=O)CF)n2)Br	559
+c1cc(ccc1C#N)NCc2cnc(c(OCc3ccc(cc3)C#N)c2CF)C	2672
+C1CN(CCN1CCc2ccc(cc2)[N+]([O-])=O)CC(F)c3ccc(cc3)[N+]([O-])=O	3913
+c1cccc2C(=O)N(C(=O)c12)CCN(CCF)CC	559
+c1ccccc1C(=O)OC2C(C3CC(=O)OC3C2)CCC(COc4cccc(c4)Cl)F	2124
+c1ccccc1CCCF	559
+n1c(Br)cc(C2(CF)COCC(=O)N2)cc1	559
+C1CC1c2cc(c(c(C=O)c2O)C)[N+](=O)[O-]	4800
+C1CC1c2ccc(C=O)cc2C#N	4800
+C1CC1c2cc(-c3ccc4c(c3Cl)CC(=O)N4C)cnc2	2060
+O1Cc2c(OC)c(C=C)ccc2C1=O	2225
+c1(c2c(ccn2C)cc(C=O)c1C=C)F	9423
+c1c(F)c(c(cc1S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C)F)C=C	2225
+Cc1ccc(cn1)C=C	3067
+C(C)OC(c1n2cc(ccc2nc1)C=C)=O	3067
+S1c2cc(C#N)ccc2C=Cc3c1ccc(F)c3	4801
+c1cc2c(F)cccc2c(OC)c1	4801
+c12ncc(cc1cccc2)F	9424
+c1cc2c(cc1C(=O)c3c(F)cc(OC)cc3)ccc(OC)c2	335
+Fc1c(C)ccc(c1)CN2CCC(C2=O)N3CC(C(c4cc(F)c(cc4)O)CC3)F	5
+c1cc(ccc1CNCCc2c(F)cccc2)-c3onc(CCCCCCCCCCC)n3	42
+c1cc(ccc1C=O)OCc2c(F)cccc2	139
+c1cc(ccc1CCOc2c(cccc2)C(OC)=O)OCC(=O)N(CC)Cc3ccccc3F	10
+c1(c(ncc(c1)C(=O)OC)[N+](=O)[O-])OCc2c(F)cccc2	9425
+c1(C(N)=S)nc(nc2n(Cc3c(F)cccc3)cnc12)N	4802
+O=S(=O)(c1ccc(cc1)Br)Nc2c(F)c(F)c(c(F)c2F)C(=O)OC	69
+c1cc(ccc1CN(S(=O)(=O)c2cc3cc(Cl)nc(c3cc2)Br)c4nccs4)OC	9426
+O=S(=O)(Nc1nccs1)c2ccc3c(ccnc3Cl)c2	4752
+Fc1c(F)cc(c(c1)C(=O)C(C(OCC)=O)=COCC)Br	4793
+c1(OCCO)c(cc(c(F)c1)F)F	57
+c1(F)c(F)c(c(c(F)c1C)F)C(O)=O	634
+Fc1c(cc(N)c(C(NC)=O)c1)F	0
+CC(Nc1c2CCCC(c2c(c(F)c1)F)=O)=O	214
+c1(ccc(c(F)c1C(=O)O)F)Br	634
+Fc1c(F)cn(c1)-c2cc(c(cc2)N3N=C(C(O)=O)C(=O)C(OC)=C3)OCc4ccccc4	4
+Fc1c(F)cn(c1)-c2cc(c(N3C=C(OC)C(C(=N3)C(N(C)OC)=O)=O)cc2)OCc4ccccc4	2101
+Fc1cn(cc1F)-c2cc(OCc3ccccc3)c(cc2)[N+]([O-])=O	22
+c1ccc(c(Nc2ccccc2F)c1)N	0
+Fc1c(OC)cc(OC)c(F)c1N2Cc3c(c4ccn(S(=O)(=O)c5ccccc5)c4nc3)N(CC=O)C2=O	465
+Fc1c(OC)cc(OC)c(F)c1N2C(N(c3cc(C=NO)ncc3C2)CC)=O	688
+Fc1c(OC)cc(OC)c(F)c1N2Cc3cnc4n(S(=O)(=O)c5ccccc5)ccc4c3N(C2=O)CCO	237
+Fc1c(OC)cc(OC)c(F)c1N2C(N(c3c(cnc(C=O)c3)C2)CC)=O	1436
+Fc1c(OC)cc(OC)c(F)c1N2C(=O)N(CC=C)c3c4c(ncc3C2)n(S(=O)(=O)c5ccccc5)cc4	276
+Fc1c(OC)cc(OC)c(F)c1N2Cc3c(c4cc[nH]c4nc3)N(CCO)C2=O	1017
+c1(c(F)c(ccc1)OCC)C(=O)O	634
+c1c(cc(C(=O)c2cc(c(cc2)OCC)F)c(Cl)c1)Br	222
+c12c(cccc1C(C)C(=O)O2)Oc3c(F)cccc3	9427
+Nc1nc(nc(N)c1[N+]([O-])=O)-n2c3c(c(Oc4ccccc4F)n2)cccc3	4803
+c1c(Nc2c(c(F)cc(c2F)F)[N+](=O)[O-])c(F)cc(I)c1	275
+OCCONC(=O)c1c(c(c(F)c(c1)F)F)Nc2ccc(I)cc2C	1000
+O(c1c(cc(c(F)c1)N)F)c2cc(C(N)=O)ncc2	242
+c1(F)cc2c(O)ncnc2cc1F	9428
+c1(F)cc2c(O)ncnc2cc1F	1116
+Fc1c(cc(Oc2c(O)cccc2)c(N)c1)NC(C)=O	0
+c1(c(cc(c(c1CO)F)[N+]([O-])=O)F)F	49
+Fc1c(F)cc(c(Nc2n(-c3ncccc3)nc(C)c2)c1)C(O)=O	9429
+c1cc(ccc1)CN(C)C(c2cc(NC(=O)c3cc(c(cc3Cl)F)F)[nH]n2)=O	147
+Fc1cc2c(Nc3c(C(N4CC(CCOC)NCC4)=N2)ccs3)cc1F	3073
+c1cc(-c2nn3c(Cc4ccc5nccnc5c4)cnc3nc2)cc(c1C#N)F	160
+[O-][N+](CCc1cc(F)c(cc1)F)=O	364
+c1cc(ccc1F)-n2cc(OCC)c(C(Nc3cc(c(cc3)Oc4c5c(cc(c(OC)c5)OC)ncc4)F)=O)n2	772
+O=S(=O)(NC1CC1)c2c(F)ccc(NC(c3ccc(F)c(c3)F)=O)c2	50
+Fc1cc(c(C)cc1F)C(=O)Nc2[nH]nc(C(NCc3oc(nc3C(=O)OCC)C)=O)c2	81
+Fc1c(cc(c(C)c1)O)C	5
+c1(Cl)c(F)c(F)c(C)c(F)c1[N+](=O)[O-]	31
+Fc1cc(Cl)c(F)c(F)c1C	1030
+c1ccccc1CONC(=O)c2cc(F)c(cc2Nc3ccc(F)cc3F)F	514
+Fc1cc(c(C(O)=O)cc1F)Nc2ccc(F)cc2F	275
+c1(cc(-n2ccnc2)c(F)cc1[N+]([O-])=O)NCC(OCC)=O	431
+Fc1c(F)cc(c(C(=O)NC)c1)[N+]([O-])=O	14
+Fc1cc(cc(F)c1)-c2n3c(c(c(C)n3)I)nc(c2)Cl	1390
+c1(cc(cc(F)c1)C(=O)C(c2ccc(c(c2)C)OC(F)F)=O)F	4804
+c1c(F)cc(cc1C(C(=O)c2ccc(cc2)OC(F)F)=O)F	4804
+c1c(F)cc(cc1C(=O)c2cc(c(F)cc2)C#N)F	335
+c1c(F)cc(cc1Cc2ccc(c(c2)C#N)F)F	452
+c1c(F)cc(cc1C2=CCOCC2)F	252
+Fc1cc(cc(F)c1)CCO	21
+c1c(F)cc(cc1CC(NC(C)C(OC)=O)=O)F	188
+c1c(F)cc(cc1CC2NC(OC2C3N(Cc4ccccc4C3)Cc5ccc(cc5)OC)=O)F	48
+c1(cc(cc(F)c1C(=O)O)OC)F	634
+c12c(C(=O)N(C1=O)CCCN(C)CCOc3cc(F)cc(F)c3)cccc2	28
+c1(Oc2cccnc2)cc(cc([N+]([O-])=O)c1)F	551
+Fc1cc(cc(F)c1-c2nc(C(OC)=O)ccc2F)CO	41
+Fc1cc(cc(F)c1-c2nc(C(OC)=O)ccc2F)CC#N	2490
+c1(F)cc(cc(F)c1-c2c(F)ccc(C(O)=O)n2)OC	1
+c1ccccc1COc2cc(cc(F)c2-c3sc(nn3)N)Br	57
+n1c(csc1-c2cccc(Cl)c2F)C(=O)O	9430
+Nc1c(c(c(c(F)c1)Br)F)Cl	196
+c1(cc(cc(F)c1C(c2cc(C(O)=O)[nH]c2)=O)F)F	787
+Fc1cc(cc(F)c1C)CCC(OCCCC)=O	159
+c1c(F)c(c(cc1CCC2NCCCc3n(CC)nc(C)c23)F)C	2967
+Fc1cc(cc(F)c1C)CCC(NCCCc2cc(C)nn2CC)=O	9
+Fc1cc(cc(F)c1C)CCC(O)=O	1317
+Fc1cc(cc(F)c1C=2N(CC(C)CC)C(=O)C(=NC=2Cl)n3cccn3)O	5
+Fc1cc(cc(F)c1C2=C(N=C(C(=O)N2CC(C)CC)n3cccn3)Cl)OC	9431
+c1(cc(cc(F)c1C=CCO)NC(=O)OC(C)C)F	2219
+c1(F)cc(cc(F)c1CN)C#N	817
+Fc1cc(cc(F)c1CC#N)Br	163
+c1c(F)c(c(cc1Br)F)CC(=O)O	3296
+c1(cc(cc(F)c1CC(Nc2nnccc2C(=O)OCC)=O)F)F	195
+C1CC1c2cc3c(s2)N(C(=O)NC3=O)Cc4c(F)cc(cc4F)-c5c(cccc5)C#N	4805
+Fc1cc(cc(F)c1F)-c2cc3CCc4c(ccc(CCC)c4)-c3cc2	2111
+c1(cc(cc(F)c1Oc2cc(cc(C(OCC)=O)c2)O)C#N)F	46
+Fc1cc(cc(F)c1SC)C(C)=O	411
+Fc1cc(cc(F)c1F)C=2c3cc(O)ccc3C(N(c4cccc(c4)C#N)C=2)=O	5
+c1ccccc1Oc2c(F)cc(cc2F)C=C(C)C(OCC)=O	46
+c1(cc(cc(F)c1F)CCC2CCC(CC2)=O)F	374
+c1c(F)c(c(cc1C=O)F)SC	411
+c1ccccc1COc2c(cc(cc2F)[N+]([O-])=O)F	57
+c1c(F)c(c(cc1[N+](=O)[O-])F)-n2cnc(n2)C	2267
+Fc1cc(cc(F)c1N2CCN(CC2)C(C)=O)O	606
+Fc1cc(cc(F)c1OCc2ccccc2)C=O	139
+c1ccccc1COc2c(cc(cc2F)CO)F	41
+c1c(F)c(c(cc1N)F)O	16
+Fc1cc(cc(F)c1Oc2ccc(cc2)S(=O)(=O)NCCOCCOCCOCCN)C=C(C)C(=O)OCC	18
+Fc1cc(cc(F)c1Oc2ccnc3[nH]ccc23)NC(=O)C	26
+c1(F)cc(cc(F)n1)-c2nc(ncc2)Nc3n(C)ncc3	1618
+c1c(-c2ccc(cc2F)F)c(ccc1)C(C)N	474
+C(C)c1c(cc(Oc2c(cc(C#N)cc2)F)c(c1)OC)F	46
+c1nc(nn1-c2ccc(cc2F)C#N)C(=O)OC	2267
+c1(ccc2n(c1)c(cn2)-c3nccc(n3)NC4CN(CCC4)c5c(F)cc(cc5)C#N)C#N	34
+O=S(=O)(C)NC(c1ccc(c(Cl)c1)OCc2cc(F)c(cc2)F)=O	258
+c1cc(ccc1)-c2n3-c4cc(F)c(cc4NC(Cc3nn2)=O)F	9432
+c1(cccc(F)c1-c2c(cc(c(C(O)=O)n2)N)F)F	1
+Fc1cccc(F)c1-c2nc(C(=O)O)c(N)cc2	1
+Fc1cccc(F)c1-c2cccc(-c3cc4c(nccc4O)cc3)n2	16
+Fc1cccc(F)c1-c2scc(C(O)=O)n2	6
+c1c(F)c(c(cc1)F)C(=O)C(C(=O)OCC)=[N+]=[N-]	9433
+Fc1cccc(F)c1C(c2c(nc(NC3CCN(CC3)S(=O)(=O)CCCI)s2)N)=O	363
+c1c(F)c(c(cc1)F)C(=O)c2sc(nc2N)NC3CCN(CC3)S(=O)(=O)CCCSc4ncccc4	9434
+c1c(F)c(c(cc1)F)C(=O)c2sc(nc2N)NC3CCN(CC3)S(=O)(=O)CCCSc4ccncc4	4460
+Fc1cccc(F)c1CCC(OCC)=O	159
+c1c(F)c(c(cc1)F)C(=NO)Cl	761
+c1cc(ccc1S(=O)(=O)C(c2c(F)cccc2F)NC=O)C	9435
+Fc1cccc(F)c1C=NO	135
+Fc1cccc(F)c1C=CC(OCC)=O	530
+Fc1cccc(F)c1COc2c(N)nccc2	483
+Fc1cccc(F)c1CCCO	44
+Fc1cccc(F)c1COc2c3n(c(C(=O)OCC)c(n3)C)ccc2	1316
+Fc1cccc(F)c1COc2cccn3c(c(nc23)C)C(N)=O	2268
+Fc1cccc(F)c1COc2cccn3c(C(NCC(C)(COC)N)=O)c(nc23)C	312
+c1c(F)c(c(cc1)F)COc2c3n(c(c(C)n3)C(NC4Cc5c(cccc5)NC4)=O)ccc2	312
+Fc1cccc(F)c1COc2cc(C#C)cn3c(c(nc23)C)C(O)=O	6
+Fc1cccc(F)c1COc2c3n(c(C(=O)O)c(C)n3)ccc2	6
+Fc1cccc(F)c1COc2cc(Br)cn3c(c(nc23)C)C(O)=O	6
+Fc1cccc(F)c1COc2c3n(ccc2)c(c(n3)C)C(NO)=N	2269
+Fc1cccc(F)c1COc2c3nc(C)c(n3cc(c2)Br)C(=O)OCC	1316
+Fc1cccc(F)c1COc2cccc3n2nc(C)c3C(=O)O	6
+Fc1cccc(F)c1COc2c3nc(C)c(n3ccc2)C#N	1751
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2c(c(C(=O)OC)ccc2)F	69
+c1cc(ccc1-c2ncnc(c2)Nc3ccc(cc3)NS(=O)(=O)c4c(F)cccc4F)F	69
+c1([N+]([O-])=O)ccc(F)c(c1)CC(=O)O	77
+c1(-c2ccccc2F)cncc(c1C(=O)OC)Nc3ccc(I)cc3F	235
+Fc1c(F)cn(c1)-c2ccc(N)c(c2)OCc3ccccc3	0
+Fc1c(F)cn(c1)-c2cc(c(N3N=C(C(C(OC)=C3)=O)C(=O)OC)cc2)OCc4ccccc4	1181
+Fc1cnc2c(c1I)c(C(=O)c3c(F)c(N)ccc3F)c[nH]2	0
+Fc1cncc(F)c1-c2c(nc(c(c2)N)N)-c3c(F)cccc3	13
+c1c(F)c(c(cn1)F)-c2cc(c(nc2-c3cnccc3)N)N	13
+c1(c(F)cc(cn1)F)CNc2nc(F)c(cc2[N+]([O-])=O)F	182
+c1cc(ccc1F)C(C)Nc2c([N+](=O)[O-])cc(c(n2)F)F	182
+C(CCCc1ccc(F)nc1)CCC(C(=O)OC)O	4364
+C(Cl)c1ccnc(F)c1	9436
+Cc1ccc(I)c(Cl)c1	158
+COc1cc(Cl)c(cc1F)I	158
+c1(ccc(cc1I)F)C(=O)O	158
+c1c(I)nc(c(N)c1)C#N	9437
+c12ccc(O)cc1c(I)ccc2	158
+Clc1cc(I)cc(F)c1C#N	158
+COc1c(cc(Cl)c(I)c1)C(=O)O	158
+c1c(I)cc([N+]([O-])=O)c(C)c1	158
+c1cc(C(=O)OC)c(cc1I)OC	158
+COc1cc(c(F)cc1)-c2ccc(cc2I)C(=O)OC	158
+c1cc(Cl)c(Br)cc1I	158
+Oc1c(cccc1I)C(=O)C	158
+O(c1c(C)cccc1)CCCCCCCCI	1273
+O=Cc1cn(c2ccc(OC)cc12)CCCCCI	363
+c1cc(ccc1SCCCI)NS(=O)(=O)C	363
+C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O	572
+C(OC(COc1cccc(c1)CCCI)=O)C	572
+O=S(=O)(N(C)CCCC)CCCCCI	363
+O=S(=O)(Nc1c(OCc2ccccc2)ccc(C(O)CI)c1)C	1273
+CC(C)(n1ncc(c1)[N+]([O-])=O)CI	572
+C(OC(CCc1cc(c(F)c(c1)C(O)CI)F)=O)C	1319
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CCCI)CC2)=O)=O	572
+O=S(=O)(N)c1cc(ccc1C(OC)=O)I	158
+O=S(=O)(N)c1ccc(Oc2ccc(cc2F)F)c(I)c1	158
+S(c1c(c(Cl)ccc1)I)C	158
+Ic1c2[nH]cnc2ncn1	9438
+c1(C)cc(nc(I)n1)-c2cc(OCC)ccc2F	2531
+c1cnc2c(cc(C=O)cc2)c1I	9439
+c1(cc(I)c(C=O)cc1Br)F	158
+c1(OC)cc(I)cc(-c2cc(F)ccc2)c1	158
+c1(c(Cl)cccc1[N+]([O-])=O)I	158
+c1(cc2c(cc1I)CCC2)C#N	158
+O(CC)C(C(C)c1cc(C)c(I)cc1)=O	158
+c1(cc([N+]([O-])=O)ccc1I)O	158
+c1(c(OC)c(c(c(OC)c1C)CC=C(CCCI)C)C)C	363
+c1(cccc(F)c1Oc2ccc(cc2)I)F	158
+c1(nncc2c(c(C)ccc12)I)O	3377
+c1cc2c(cc1I)C(C2)=O	158
+c1c(I)cc2c(OC(=O)N2C)c1	158
+c12c(cccc1)C(=O)N(C2=O)C(CF)(C#N)CCCCI	572
+c1c(OC)c(cc(-c2c(F)cc(cc2)C(=O)OC)c1F)I	1202
+c1c(Br)c(c(cc1CC(O)C(OC)=O)Br)Oc2cc(I)c(c(C(C)C)c2)OC	158
+c1c(cc(cc1[N+]([O-])=O)C(=O)O)I	158
+c1c(C)c(c(cc1I)C)-c2c(C)cncc2C	158
+c1cc(I)c([N+]([O-])=O)cc1I	158
+c1c(cc(c(c1)CC)I)Br	158
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CC2)CCCCI)=O)=O	363
+c1cc(ccc1)-n2c3c(cc(C#N)cc3I)nc2	9440
+c1ccccc1C(c2c(OC)c(c(c(c2C)OC)C)C)CCCI	4750
+c1cc(ccc1)C(c2c(NC(CI)=O)cn(C)c2C)=O	4806
+c1cc(ccc1-c2ccc(N)c(I)c2)Cl	1202
+c1cc(ccc1-c2cc(c(cc2)O)I)C#N	1202
+c1cc(ccc1OC)-c2cc3c(cc2)[nH]c(c3I)C(=O)OCC	9441
+c12ccnn1c(-c3ccc(c(I)c3)O)c4c(n2)CCC4	1202
+c1cc(ccc1-c2[nH]c3ncc(c(c3n2)I)Cl)C(OC)=O	9442
+c1cc(ccc1I)C=CCO	2766
+CC(C)c1ccc(cc1)I	158
+c1cc(ccc1C(OCC)=O)-c2cc(c(cc2)OCCCI)-c3ccc4C(C)(C)CCC(C)(C)c4c3	1273
+ICC(COCCCCCCCC)OCCCCCCCC	1319
+c1cc(ccc1)COC(N(CC)CCCI)=O	1319
+C(CI)COCc1c(cccc1)OC	1319
+c1cc(ccc1I)CC(C)NC(=O)C	2766
+c1cc(ccc1I)CCCCCCCC	158
+c1cc(ccc1CO)CCI	363
+c1cc(ccc1CN2C(=O)c3c(C=C2)c(ccc3)I)F	158
+c1cc(ccc1Cc2ccc(cc2)-c3occn3)OCCI	363
+c1cc(ccc1I)Oc2c(Cl)ccc(c2)F	158
+c1cc(ccc1Oc2c(ccc(F)c2)F)I	158
+c1cc(ccc1)-c2cc(c(cc2)O)I	1202
+c1cc(ccc1CI)OC	9443
+c1cc(ccc1NC=C2c3ccccc3NC2=O)OCCCI	363
+c1cc(ccc1OCOC)C2(COc3c(C2c4cc(ccc4)OCCCCI)ccc(OCOC)c3)C	363
+c1cc(ccc1OCc2ccccc2)CCCCI	572
+c1cc(ccc1S(=O)(=O)n2c(cc3c2nccc3)-c4cn(c5c4nc(OC)c(c5)OC)CCI)C	363
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCI)c(OC)cc45)C)C	363
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCCI)c(cc45)OC)C)C	363
+c1cc(ccc1SC(c2ccc(OC)c(c2)OC)(C#N)CCCCCI)C	363
+Nc1ncc(F)cc1I	9444
+c1cc2c(c(Br)ccc2I)cc1	158
+c1ccccc1-c2cc(I)ccc2C(OC)=O	158
+c1cc(ccc1)-c2c(cc(I)cc2)OC	158
+c1ccccc1-c2ccc3OCCc3c2I	158
+c1ccccc1C(CCCI)=O	363
+c1ccccc1COc2cc(NC(=O)CI)ccc2OCc3ccccc3	4806
+c1ncc(-c2cc(Cl)c(I)cc2)nc1C	158
+c1(c(I)ncc(Br)c1)C	9445
+n1n(c2c(c1I)cc(cn2)[N+](=O)[O-])C	9446
+O1CCOC1CC2C(C)(C)C3(CC3C2)C	4320
+O=Cc1cc(cc2OCOc12)Br	9447
+O=S(=O)(C)N(C)c1cc2oc(c(c2cc1Br)C(=O)NC)C34C(CCC3)C4	9448
+n1c(Cl)cc(nc1I)Cl	1653
+c1cc(ccc1Cc2cc(Br)ccc2Cl)COC3CC3	9449
+c1cc(ccc1OC)Cn2c3c(nc2)c(nc(I)n3)Cl	1653
+c1cc(ccc1OC)Cn2cnc3c2nc(nc3-c4ccco4)I	1653
+n1cc(cnc1I)NC(c2cc(ccc2C)[N+]([O-])=O)=O	1653
+c1(F)c(C#N)nccc1I	916
+n1cc(I)c(O)c(C#N)c1	625
+c1(cccc(I)c1F)C#N	184
+N#Cc1cnc2c(cc(I)s2)c1Cl	2270
+C1c2c(cccc2F)NC(C(C1)I)=O	9450
+c1(-c2ncccc2)cc(Br)c(c([N+]([O-])=O)c1I)F	1252
+c1(C)c(N)cc(c(I)c1)F	184
+Nc1c(cc(I)cn1)C=O	625
+c1(ccc(-c2ccc(cc2C)C(=O)OC)cc1I)CC	1252
+c1(I)ccc(-c2cnn(C)c2)cc1[N+]([O-])=O	1252
+O1CCOC12CCC(CC2)N(c3cc(sc3C(=O)OC)I)C(=O)C4CCC(CC4)C	2270
+O=S(=O)(Nc1c2c(cccc2)c(O)c(c1)I)c3sccc3	3756
+c1cc(ccc1S(=O)(=O)n2c3c(cc2I)c4n(ncc4cn3)C)C	4807
+n1c(N)nc2c(c1O)ncn2C3C(O)C(C(CI)O3)O	343
+n1[nH]c(c2c([N+]([O-])=O)cccc12)I	538
+Ic1c(n[nH]c1)NC(=O)C	1419
+c1(c(N)c(I)nc(c1)C(OCC)=O)C	1463
+c1(C=O)cc2c([nH]nc2cc1)I	538
+c1c2c(-c3c(cc(cc3)CCC)CC2)ccc1I	184
+Ic1c(O)cc(c(Cl)n1)Br	1463
+Clc1cc(c(I)c(Cl)c1)O	184
+c1(Cl)nccn2c(ncc12)I	9451
+Ic1nc(ccc1N)Cl	1463
+n1[nH]c(c2cc([N+]([O-])=O)ccc12)I	538
+COc1cc(I)cc([N+]([O-])=O)c1N	184
+c1(I)c(n[nH]c1C)NC(=O)C	1419
+C(C1Sc2c(c(c(c(C)c2O1)C)OCOC)C)CCI	343
+n1[nH]c(c2c1cc(c(C)c2)[N+]([O-])=O)I	538
+Cc1c(c(O)nc(C)n1)I	2244
+Ic1c(c(Cl)nc(CO)c1)O	916
+c1(N2CC(OC2=O)Cn3cc(C)nn3)ccc(I)c(F)c1	184
+c1(C)cc(I)cnc1N	625
+c1(c(c(O)nc(n1)CC)I)Cl	2244
+O=S(=O)(NC1Cc2c(ccc(c2)I)C1)C(C)C	184
+[nH]1cc(I)c2cc(C(=O)O)ccc12	4616
+COc1cc(c(cc1F)-c2cc3n[nH]c(c3cc2)I)CC	538
+n1[nH]c(c2ccc([N+]([O-])=O)cc12)I	538
+c12cccc(OC)c1occ2CCI	343
+Fc1cnc2ccccc2c1I	916
+n1[nH]c(c2cc(-c3cnccc3)ncc12)I	538
+c1c(Br)c(O)c(I)cc1C(=O)OCC	184
+c1c(C)cc(c(N)c1[N+]([O-])=O)I	184
+c1c(OC)ccc2c1n(CC)c(I)c2C#N	9452
+c1c(OC)ccc2c(CCI)coc12	343
+c1c(cc(cc1[N+]([O-])=O)C(=O)O)I	184
+n1cc(I)c(c2c3ccccc3cc(OCCC)c12)O	625
+Nc1c(F)cc(cc1I)Br	184
+c1c(cc2cc(c(Cl)nc2c1)I)Br	625
+c1cc2NC(CCc2cc1I)=O	184
+c1c(I)c(cc(CCc2cc3c(cccc3)cc2)c1)F	184
+c12ncc(I)c(c1cccc2)O	625
+c1cccc2n[nH]c(I)c12	538
+c1c(OC)ccc2c1nn(C)c2I	538
+Cc1ccc(C)n1-c2nn(c(I)c2)-c3ccccc3	538
+Cc1ccc(C)n1-c2nn(-c3ccc(cc3)F)c(I)c2	538
+c1cc(ccc1)C(c2ccccc2)(CCCI)CC#N	343
+c1cc(ccc1)CC(C)(N(C)C)C(c2ccc(cc2)NCCCI)=O	343
+CC(C)(CI)COCc1ccccc1	343
+c1cc(ccc1)COc2c(CCI)cc(F)c(F)c2	343
+c1cc(ccc1)N(C(=O)C2=C3c4sc(I)cc4C=CN3C(=O)C(=C2)c5ccc(cc5)OCc6ccccc6)CCOC	2270
+c1cc(ccc1)S(=O)(=O)n2c3nccc(c3cc2I)OC	4807
+c1cc(ccc1-c2c(c(NC(=O)C)n(CC(=O)OCC)n2)I)F	1419
+c1c(OC)c(I)cc(c1)-c2cnc(cc2C)C(=O)OC	184
+CC(C)(CC(OC)=O)c1cc(c(cc1)OC)I	184
+c1c(cc(I)c(C)c1)Br	184
+c1cc(ccc1C2CC(=O)N(C2C(OCC)=O)C)I	1252
+c1(N)ccc(CC(OCC)=O)cc1I	184
+c1(I)cc(CCC(OC)=O)ccc1F	184
+c1cc(ccc1CCCC)C#Cc2ccc(c(F)c2CCC)I	184
+c1cc(ccc1Cl)-c2ncc(nc2)I	9453
+c1cc(ccc1N2C(CI)Cc3c(OC)c(OC)cc4ncnc2c34)Cl	9454
+c1(N)ccc(CCC)cc1I	184
+c1cc(c(I)cc1CCCO)O	184
+c1cc(ccc1CC2=C(C(Oc3c(c(ccc23)O)I)=O)c4c(Cl)cc(Cl)cc4)OCCBr	184
+c1ccc(cc1CCC(OC)=O)CI	4706
+c12cc(I)ccc1[nH]c3c2cccc3	184
+c1cc(ccc1)-c2nn(c(NC(=O)C)c2I)CC(=O)OCC	1419
+c1ccccc1C(c2cc(I)c(O)cc2)=O	184
+c1ccccc1C2CCC(CC2)CI	343
+c1ccccc1CCCCCCI	343
+c1ccccc1CCOCCCI	343
+c1ccccc1CNc2nc(N)nc(C)c2I	2244
+C(CCN(CCCC)c1ccc(cc1)I)C	184
+c1cc(ccc1I)N2C(=O)OC(C2)COS(=O)(=O)C	184
+Nc1ncc(cc1I)C(=O)OC	625
+c12c(ccc(c1)F)nc(c(c2O)I)CC	625
+Cc1nn(cc1I)-c2cc(F)cnc2	1419
+n1cccnc1C(F)(F)CI	343
+n1nc[nH]c1-c2c(Br)cc(I)s2	2270
+c1c2c(ccc1O)ncc(I)c2	9455
+CC(C)(C)OCC(CO)(COC)C1CCCCC1	4045
+c1(cc(C)ccc1C(C)O)OC(CC=C)C	9456
+c12c3ccccc3[nH]c1SCCC2C(C)O	4808
+c1ccccc1OCCC(O)C	4808
+c1ccccc1[Si](c2ccccc2)(OC3CC(C3)C(=O)C)C(C)(C)C	9457
+c1(ncn(-c2nc(cc(-c3cc(c(cc3)Cl)Cl)n2)C)c1)I	937
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5cc(nc(C)c5c(n4)I)Cl	2271
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5c(c(n4)I)cnc(Cl)c5	2271
+c1(ncc(Br)c(c1)Nc2ccccc2C(NOC)=O)Cl	2272
+c1(N)cc(I)c(C)nc1	13
+Ic1c(CO)cc(Br)cn1	9458
+N(=[N+]=[N-])Cc1c(I)cc(F)nc1	2324
+c1cc(ccc1NC(=O)c2cc(I)c(Cl)nc2)OC(F)(F)Cl	246
+COc1c(-c2cc(ncc2F)Cl)ccc(c1)F	1164
+O=S(=O)(C)C(CCN1C=C(C(=CC1=O)I)F)(C)C(OCC)=O	9459
+c1c(c(C#Cc2cccc(N)c2)ccc1)NC(=O)N	129
+c1(c(C)nc(C)c([N+](=O)[O-])c1O)C#N	9460
+c1cc(ccc1)-c2cc([N+](=O)[O-])cnc2O	796
+[N+]([O-])(c1cc(-n2nccc2)c(nc1)O)=O	2962
+Ic1c(ccnc1)C(=O)O	1
+c1cc(ccc1)C#Cc2c[nH]nc2NC(C)=O	1249
+c1(I)c2CCCNc2ncc1[N+](=O)[O-]	475
+c1ccccc1-c2c3c(nc(cc3)NC4c5c(CC4)cccc5)ccc2	9461
+Ic1c2c(cc(nc2n(C3CCCCO3)n1)Cl)C(=O)O	6
+c1c(-c2cc(ncc2NC)Cl)c(ccc1)Cl	1164
+c1nc(c([N+]([O-])=O)cc1I)NCc2ccc(OCc3ccc(nc3)OC)c(c2)OCC	70
+c1nc(c([N+]([O-])=O)cc1I)NCc2cc(c(OCc3ccc(nc3)OC)cc2)OC	70
+Ic1cc(ncc1)-n2nc(c3c2CCCC3)C(N)=O	247
+c12ncc(cc1NCCN2)I	15
+c1cc(ccc1)CN2C(=O)CNc3c2cc(cn3)I	9462
+c1ccccc1N2CCN3C2=NC=C(c4ccc(Oc5c6c(cc(I)s6)ncc5)c(F)c4)C3=O	680
+c1(cc(F)c(I)cc1)C(=O)N	216
+c1cccc(-c2cccnc2)c1OC	796
+c1cc(ccc1-c2sccc2)F	3082
+c1c(-c2c(C(OCC)=O)cn(c2)-c3ccnc(Cl)c3)c(ccc1)Cl	9463
+c1cc(ccc1C(=O)N2CCOCC2)-c3nn4c(cnc4cc3)C#Cc5cc(ncc5)Cl	4809
+c1cc(ccc1Cl)-c2ccnc(Cl)c2Br	1164
+c1c(I)ccnc1-n2c3cccc(F)c3c(C(=O)OC)n2	3275
+Ic1ccnc(O)c1C	2273
+c1cnc2c(c1I)cnn2-c3ccc(cc3Cl)F	4810
+c1cc(ccc1-n2ncc3c(ccnc23)I)F	4810
+O=S(=O)(C)C(CCN1C(=O)C(=C(C=C1)I)C)(C)C(OCC)=O	9464
+c1c([N+]([O-])=O)cccc1C#Cc2ccnc(SC)n2	4786
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4nc(SC)ncc4)C	4613
+FC(F)(COCc1ccccc1)Cn2cc(I)cn2	1593
+CC1(C)OC(CO1)Cn2cc(I)cn2	4811
+c1cc(ccc1)NC(N2Cc3c(cnn3CC2)I)=O	326
+c1nc(C)nc2n(nc(c12)I)Cc3c(F)cccc3	1485
+c1(OC)cc(cc(-c2c3c([nH]n2)ncnc3N)c1)F	920
+c1cc(ccc1-c2c3c(N)ncnc3[nH]n2)Oc4ccccc4	920
+c1ccccc1C2=NN(C(C=C2C(n3nc(I)c4c(N)ncnc34)C)=O)Cc5ccccc5	9465
+c1cc(ccc1-n2nc(I)c3c(N)ncnc23)[N+]([O-])=O	9466
+c1cc(ccc1Cl)-c2[nH]c(c(-c3ccc(cc3)Br)n2)-c4ccncc4	9467
+O=S(=O)(C)CC(C#N)(C)N	661
+O=C1C(NC(=O)N1)(c2cccc(Br)c2)c3cc(C)ccc3	9468
+c1cc(ccc1C#N)C2(CC3c4c(cccc4)Sc5ccccc35)C(NC(=O)N2)=O	3083
+c1cc(ccc1)COC(=O)C2CCC3(C(=O)NC(=O)N3)C2	4812
+c1cc(ccc1C#N)C2(COCC=C)C(=O)NC(N2)=O	3083
+c1cc(ccc1C2(C(=O)NC(=O)N2)C)Br	3083
+c1cc(ccc1Br)C2CCC3(NC(NC3=O)=O)C2	4812
+c1c2c(ccc1)CC3C(CCC(C#N)(N)C3)C2	661
+C1CC(CCN1Cc2ccccc2)(N)C#N	661
+c1cc(ccc1)COc2cc3CC4CCC(Cc3cc2)C4(C#N)N	661
+c1cc(ccc1)CN(CC(N)(C#N)CCc2ccccc2)C	661
+Nc1nc(C#N)c(nc1Cl)C#N	9469
+N1(CC(F)CC1C(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(=O)Cn4c5c(c(C(N)=O)n4)CCCC5	247
+Nc1c(Cl)ccc(C(=O)N)c1Cl	169
+c1(ccc(F)cc1N)C(=O)N	169
+Nc1c(cccc1Cl)C(=O)N	169
+Nc1c(nc(c(-c2ccncn2)c1)-c3occc3)N	664
+Nc1cccc(Cl)c1C(=O)N	169
+C(N)(=O)C1C(N)CCCC1	327
+C(N)(=O)c1c(OC(C)c2ccccc2Cl)cc(-c3cccnc3)s1	1355
+O(C)c1cc(cc(OC)c1)Nc2nc(Nc3ccccc3S(=O)(=O)C)c(cn2)C(=O)N	2757
+O(C)c1cc(cc(OC)c1C)C(N)=O	169
+C(CN1CCc2ccccc2C1)(CN)O	906
+c1(C(CC)C(N)=O)ccccc1I	83
+NC(=O)c1cc2c(CCCC2)c(c1OC)I	169
+O=C(c1cc([N+]([O-])=O)c(c(c1F)F)N)O	623
+NC(c1cc(-c2ccccc2[N+]([O-])=O)[nH]c1C)=O	393
+C=1(C(=O)NC(C=1c2cc(ccc2)[N+]([O-])=O)=O)c3c4ccccc4n(C)c3	9470
+Cc1cc(F)c(C#N)c(Br)c1	1767
+c1(c(cccc1OC)C#N)[N+]([O-])=O	1767
+O=S(=O)(C(c1cnc(C(N)=O)cc1C)c2cc(F)ccc2F)c3ccc(cc3)F	247
+O=S(=O)(c1cccc(C2CCN(CC2)CCC)c1N)C	623
+O=S(=O)(C)c1ccc(Oc2cc(OC)c3c(cc([nH]3)C(N)=O)c2)cn1	247
+O=S(=O)(C)c1ccc(cn1)Oc2cc(C)c3[nH]c(cc3c2)C(N)=O	247
+O=S(=O)(C)c1ccc(cn1)Oc2cc(OCC)c3[nH]c(C(N)=O)cc3c2	247
+c1(nccc(C=C2SC(NC2=O)=O)n1)N	1408
+c1(c(c(nc(N)n1)N)C#N)NC(C)c2nc3c(cc2-c4cscn4)n(cc3)C	1408
+n1n(c2c(cnc(N)n2)c1Br)C	1408
+O=S(=O)(CC)c1ccc(cc1)CN	1551
+O=S(=O)(CCC)Nc1c(F)c(c(cc1)F)NC(c2cccc3c(ncnc23)N)=O	266
+O=S(=O)(Cc1ccc2N(Cc3c4C(=CN(C(=O)c4[nH]c3C(N)=O)C)c2c1)c5ccc(cc5)Cl)C	247
+C1CCCC1CCS(=O)(=O)N	2565
+c1ccccc1CCS(=O)(=O)N	2565
+O=S(=O)(c1c(cccc1)C(=C)C)N	336
+O=S(=O)(c1cc([N+]([O-])=O)cc(c1F)C)N	336
+O=S(=O)(c1c(ccc(Cl)c1)OC)N	336
+O=S(=O)(c1cc(CCOC(C)=O)c(Br)c2cccc(c12)[N+](=O)[O-])N	336
+O=S(=O)(N)c1c(C(C)C)cc(Br)c(c1)C(C)C	336
+O=S(=O)(N)c1ccc(O)c(C(=O)O)c1	336
+O=S(=O)(c1ccc(c(c1)Cl)F)N	336
+O=S(=O)(c1cc(CC)ccc1Cl)N	336
+O=S(=O)(N)c1c(CCNC(=O)C)cc(Cl)cc1	336
+O=S(=O)(N)c1c(OS(=O)(=O)C)cccc1	336
+O=S(=O)(N(CC1COC(C)(C)O1)c2nc(Cl)nc(C(N)=O)c2)C	1134
+O=S(=O)(N(c1c2[nH]c(cc2ccc1)C(N)=O)C)c3cccs3	4813
+O=S(=O)(N)c1ccc(OC(C)C)c(c1)NC(=S)N	1099
+O=S(=O)(N1CCCc2ccccc12)c3cc(N4C(=O)Nc5cccc(C(=O)N)c5C4=O)c(Cl)cc3	169
+O=S(=O)(NCCCC(=O)N)C	728
+O=S(=O)(Nc1ccc(c(NC(=O)c2c3c(ccc2)c(ncn3)N)c1Cl)Cl)CCC	266
+c1cc(ccc1S(=O)(=O)N)C2CN(Cc3c2cc(cc3Cl)Cl)C	4814
+O=S(=O)(c1ccc(cc1)-c2c(-c3ccc(cc3)Cl)c(n4c2CCC4)C(OC)=O)N	4814
+C(Oc1c(cc(C2C=3C(CC(CC=3NC(=C2C#N)C)CCC)=O)cc1OCC)Br)CN	4782
+O=S(=O)(C)Oc1cccc(c1)C2(NC(N(C2=O)C)=N)c3cc(c(F)cc3)Br	9471
+O=S(=O)(N)c1c(C)ccc(C(O)=O)c1	336
+O=S(=O)(N)c1ccc(Br)cc1CC	336
+O=S(=O)(c1ccc(cc1F)F)N	336
+O=S(=O)(c1cc(C(=O)C)ccc1F)N	336
+O=S(=O)(N)c1c(nc(s1)Cl)C	9472
+O=S(=O)(c1cc(-c2c(nc(NC(=O)NCC)s2)C)ccc1OC)N	336
+O=S(=O)(N)c1cc(c(CCOC)s1)C	3084
+O=S(=O)(N)c1sc(c(c1)C)CCOC(=O)C	3084
+O=S(=O)(c1cc([N+]([O-])=O)c(cc1)N)C	623
+O=S(=O)(N)c1cc(c2c(OCCO2)c1)C(=O)O	336
+c1cc(ccc1CCNc2cc(nc(n2)OC)-c3cccc(S(=O)(=O)N)c3)OC	336
+O=S(=O)(c1ccc2c(CCN2C(C)=O)c1)N	336
+O=S(=O)(CC)c1c(CN)cc(cc1)C#N	1551
+O=S(=O)(c1cc2c(CC(NC(=O)C)C2)cc1)N	336
+O=S(=O)(c1cc(N2C(Nc3c(C2=O)c(C(=O)N)sc3)=O)ccc1)N4c5ccccc5CCC4	767
+O=S(=O)(c1cccs1)N(c2ccc(C)c3cc([nH]c23)C(=O)N)C	247
+O=S(=O)(c1cnc(Oc2cc(OC(COC)COC)c3c(cc(C(N)=O)[nH]3)c2)cc1)C	247
+O=S(=O)(N)c1cc(C)c(-c2ccc(OC)nc2)s1	3084
+O=S1(=O)CCC(c2c[nH]c3c(cc(cc23)Br)C(N)=O)C1	393
+O=S1(=O)CCCC(c2c3cc(cc(C(N)=O)c3[nH]c2)Br)C1	393
+OC1C(O)CN(C1)c2cc(C(=O)N)nc(n2)Cl	1134
+c1(cc(cc(n1)O)O)C	4315
+c1cc(ccc1Br)-c2ncoc2	4815
+c1ccccc1COc2c(cccc2)-c3cocn3	4815
+Oc1c2c3c(n(Cc4c(cccc4)Cl)c2ccc1)cccc3C(=O)N	666
+Oc1c2c3c(n(c2ccc1)Cc4c5ccccc5ccc4)cccc3C(=O)N	666
+c1cc([N+]([O-])=O)cc(c1)-c2cc3c(cc2)ccn3-c4ccnc(n4)N	9473
+S(C)c1cc(ccc1C(=O)N)F	169
+NC(=S)NCCCCC	4816
+NC(NC(c1c(c2cc(C)ccc2n1CC(OC)=O)C)=O)=S	4817
+NC(NC(c1n(CC(OC)=O)c2ccc(cc2c1)OC)=O)=S	4817
+c1(Br)c2n(cc(n1)C(=O)N)cc(C)n2	2232
+O=C(N)c1cc(c2sccc2c1)O	169
+n1cc2ncc(cc2c(Br)c1)C(=O)N	393
+c1(C)c(cc(cc1)C(=O)N)Br	169
+c1(cc(nc(N)n1)N)C	266
+c1(C)nc2c(NCc3c(C)cccc3CC)cc(cc2n1C)C(=O)N	169
+c1c(Cl)c(c(cc1SC)Cl)C(N)=O	169
+c1(Cl)ccnc(c1)C(=O)N	247
+Nc1n2c(ccn2)nc(Cl)c1	1994
+[N+](c1c(c(F)c(F)c(F)c1N)F)([O-])=O	623
+O=S(=O)(Nc1cc(F)cc(F)c1)c2cc(c(nc2)Cl)C(=O)N	393
+c1c(Oc2cccc3c2CNC3=O)c(Cl)cc([N+]([O-])=O)c1	4818
+c1([N+]([O-])=O)cccc(-c2nc(nc(c2C#N)N)SC)c1	266
+c1(nc(c(-c2ccncn2)cc1C#N)-c3occc3)N	664
+Nc1c(cc(c(F)c1)C#N)[N+]([O-])=O	623
+C(#N)c1c(N)c(ccc1F)F	623
+n1cc(Cl)c(cc1N)-c2nc(ccc2F)F	905
+Nc1c(C#N)c(Br)ccn1	1380
+NC(=O)c1cc(c(c(c1Cl)[N+](=O)[O-])Cl)F	1580
+O=C(N)c1c2c(c(C)c(C)[nH]2)c(cc1)Br	393
+C(Cc1c2cccnc2[nH]c1)N	2707
+C1N=C(c2cc(I)ccc2NC1=O)c3c(cccc3)Cl	9474
+c1(cc(OC)n(-c2c(cccc2)F)n1)C(=O)NC(c3ccccc3C)CC(N)=O	83
+NC(=O)c1cc(c(F)c(OCF)c1F)F	666
+c1(cc(cc(C)c1-c2cccc(CNc3cc(c(cc3)CCC(N)=O)F)c2)OCCOCC)C	83
+c1(cc(cc(C)c1S(=O)(=O)N)NC(=O)C)C	336
+c1(cc(N)cc(O)c1C)C(=O)O	4819
+c1c(c(ccc1C(=O)OC)-n2cc(nc2)C)OC	9475
+c1c2cc([N+]([O-])=O)c(N)nc2ccc1OC	4820
+Cc1c2c(cc([N+]([O-])=O)c(n2)N)ccc1	4820
+N1C(=O)c2c(c(ccc2Br)[N+]([O-])=O)C1	4818
+c1(ccc(F)c(c1N)F)[N+]([O-])=O	623
+Nc1c(F)c(ccc1Cl)C(=O)N	169
+O=C(N)CC(O)(c1cc(c(cc1)Cl)Cl)CC	728
+c1(cccc(c1)C2(C)N=C(COC2)N)Br	4791
+c1(cccc(c1)CC(N)=O)Br	327
+c1(ccccc1F)-c2ccccc2CC(N)=O	83
+c1cccc(c1C(C(=O)N)C)I	83
+c1(CCC(=O)N)ccnc(c1)C=2Sc3c(cccc3)C(N=2)=O	83
+c1(cnc(NC(NCC)=O)cc1C(=O)N)Br	666
+C(C)OC(=O)c1c(N)c2cc(OC)ccc2nc1	1724
+c12ccccc1nc(n2-c3nc(nc(n3)N)C)Cl	1342
+c1(C)cc(nc(Cl)n1)C(=O)N	247
+c1(nc(Nc2c(nnc(Cl)c2)C(=O)N)cc(C)c1)C	314
+c1(c(c(nc(SC)n1)N)C#N)NC(C)c2nc3c(cc2-c4ccnn4C)n(cc3)C	266
+c1nc(ncc1)-c2nc(c(c(N)n2)Oc3c(cccc3)OC)Cl	266
+c1(ncnc(Cl)c1-c2nnn(C)n2)N	266
+Cc1ccc2oc(C(=O)N)cc2c1	2633
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4CC(CCC4C)C(=O)N	83
+n1cc2C(N)CCCc2c(Br)c1	3721
+c12CCCCc1nc(c(c2)[N+]([O-])=O)N	664
+c12[nH]c(cc1cc(Oc3cnc(cc3)COC)cc2OC)C(=O)N	4813
+c12c(Br)cccc1c(N)nc(Cl)n2	266
+c12c(C(=O)N(C1=O)CCc3cc(C(N)=O)nn3CCC)cccc2	247
+C1CCc2c(ccc(OC)c2C1N)OC	474
+c12c(O)c(cnc1cc(c(OC)c2)F)C(=O)N	393
+c1(c(c(nc2ccccc12)Cl)[N+](=O)[O-])N	1724
+c12c3c(cccc3)nc(N)c1nc(CCC)n2CCC(NC)=O	461
+c1(n(Cc2cc(on2)-c3cccnc3)c4c5c(cccc5)nc(N)c4n1)CCC	461
+c12cc(n(c1c(cc(c2)F)Br)C)C(=O)N	247
+c12ccc(nc1ccc(c2)C(=O)N)C	666
+c12ccccc1nc(Cl)n2-c3ncnc(N)c3	266
+C1CCc2nc3c([n+]([O-])c4ccccc4c3n2OC1)N	574
+c1[nH]cc(C(=O)N)c1-c2c(c(Cl)ccc2)Cl	393
+c1c(Br)cc2CCC(N)Cc2c1	316
+c1c(Br)ccc2cc(C(=O)N)ccc12	169
+c1c(Br)ccc2cc(N)ccc12	4819
+c1c(C)c(c(cc1)C)Oc2c(cc3nc(-n4cc(C(=O)OCC)cn4)nc(c3c2)N)F	266
+c1c(C)nn(c1C)CC(=O)C=C(C)N	3580
+c1(N)ncc(C=CC=Cc2sc3c(n2)cc(c(OC)c3)OC)cc1	1380
+c1c(Cl)c(c(cc1Cn2cc(nn2)C(N)=O)Cl)Cl	9476
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2cccc(-c3c(-c4ccnc(n4)N)sc(C5CCOC5)n3)c2F	911
+c1(cc(cc(F)c1C(N)=O)OC)F	1580
+c1c(F)c(c(cc1OCC)F)Cn2c3CCCc3c(n2)C(=N)N	9477
+NC(=O)c1c(Nc2ccc(I)cc2F)cncc1-c3ccccc3F	2822
+c1c(c(cc(c1)NC(CC(N)=O)=O)F)OCc2cccc(F)c2	4821
+c1c(c(ccc1Br)F)C(Nc2nccnc2C(N)=O)=O	2232
+c1c(cc(C)c(c1)C(=O)N)Br	169
+c1c(cc(c(NC2=CC(=O)N(C)C=C2C(=O)N)c1)F)Br	9478
+c1c(cc(c(c1)Cc2c(nn(-c3c(Cl)ccc([N+]([O-])=O)c3)c2C(=O)N)CCCC)F)Br	1612
+c1c(cc2-c3nc(C(=O)N)sc3CCOc2c1)Br	9479
+C(C1Oc2c(CC1)cc(cc2)F)(O)CN	906
+c1c(cc2ccc(N)c([N+]([O-])=O)c2c1)Br	9480
+c1c(ccc(CCC(N)=O)c1F)F	83
+c1(cc(nc(n1)Cl)Cl)C(=O)N	1612
+c1c(ncn1-c2ncnc(N)c2)C	266
+Oc1c2c(cc([N+]([O-])=O)cc2)nc(n1)Cc3ccc(c(Cl)c3)Cl	4046
+c1c2CCC(C(N)=O)Oc2c3ccccc3c1	728
+C(c1c(c2ccccc2[nH]1)Cl)(=O)N	247
+c1c2c(ccc(C)c2)[nH]c1C(=O)N	247
+c1c2ccc(-c3c(Cl)cc(cc3)C(=O)N)nc2ccc1O	169
+NC(Nc1cc(ccc1OC)Br)=S	1099
+c1cc(c(cc1F)C(=O)N)[N+]([O-])=O	169
+c1ccccc1-c2c(NC(N)=S)ccc(C)c2	1099
+c1cc(ccc1)-c2oc(C3=CCCC3Cc4cccc(c4)C(N)=O)nc2-c5ccccc5	169
+c1cc(ccc1)C=2C(C(=O)N(c3nc4ccc(cc4s3)Cl)N=2)=CN	2876
+c1cc(ccc1)CC(O)CN	906
+c1cc(ccc1)CN(CC(C)(C)COC(=O)C=C(C)N)C	9481
+c1cc(ccc1)CN2CC(C(N)=O)CC2=O	327
+C1CC(CCN1Cc2ccccc2)(O)CC(=O)N	728
+c1cc(ccc1)C(CC(=O)N)NC(=O)C(C(O)C(O)C(CO)NC(=O)C(CC(C)C)NC(OCc2ccccc2)=O)O	83
+c1cc(ccc1)COC(N2CCC(CC2)n3c4c(cc3)ccc(C(=O)N)c4)=O	169
+c1cc(ccc1)COCC2n3c4c5ccccc5[n+](c(N)c4nc3COC2)[O-]	574
+c1cc(ccc1)CON2C(=O)N3C(C(N)=O)CCC2C3	83
+c1cc(ccc1)COc2cc(ccc2Cc3ccc(cc3)CC)CC(=O)N	83
+c1cc(ccc1CC(CCC(N)=O)NC(=O)CCCCCCc2ccccc2)OCc3ccccc3	83
+c1cc(ccc1)COc2cc(CCC(=O)N)ccc2	83
+c1cc(ccc1)Cc2cc(C(N)=O)ccc2	169
+c1cc(ccc1)Cc2ccc(nc2)C(N)=O	314
+c1cc(ccc1)Cn2c3cccc(C(N)=O)c3c4c(c5CCCCc5cc24)O	666
+c1cc(ccc1)Cn2cnc(C(=O)c3c(nccc3)N)c2	905
+c1cc(ccc1)Cn2c(C)cc(C(N)=O)n2	314
+Cc1nc(c2c(n(c(C)n2)CCOCCCc3cnccc3)c1C)N	3085
+c1cc(ccc1)S(=O)(=O)CCCc2n(CCCC)nc(C(N)=O)c2	247
+c1cc(ccc1-c2cc3c(cc2)[nH]cc3C#N)Br	4537
+c1cc(ccc1-c2ccccc2C#N)CC3=C(n4ncnc4N(C3=O)CC(=O)N)CCC	83
+c1cc(ccc1-c2cccnc2)-c3oc4c(n3)cccc4C(=O)N	2692
+c1cc(ccc1OC)-c2c3c(ncnc3n(C(C)C)c2)N	869
+c1cc(ccc1-c2c3c(cnc2)ccc(c3)C(=O)N)Cl	169
+c1cc(ccc1C(N)=O)-c2cnco2	169
+c1cc(ccc1C(N)=O)-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C	169
+c1cc(ccc1N)-n2c(cc3nc(c(C#N)c(O)c23)O)Cl	9482
+c1cc(ccc1-n2c3c(cnc(NC4CCC(C4)C(=O)N)n3)nn2)OCCOC	1360
+C1CCCC1(CC(=N)N)c2ccc(cc2)Br	4822
+c1cc(ccc1CC(C)N)Br	316
+c1cc(ccc1Br)N2C(=O)c3c(N)nc(C)nc3OCC2	266
+c1cc(ccc1Br)OCc2c3c(sc2)c(C(OCC)=O)cnc3N	1871
+c1cc(ccc1Br)S(=O)(=O)c2cnc(N)cc2	664
+c1cc(ccc1C2C=3NC(=O)NC(=O)C=3COC2)C#N	4823
+c1cc(ccc1OCC(C)N)C#N	316
+c1cc(ccc1OCCC(O)CN)C#N	906
+c1cc(ccc1C(=O)C)S(=O)(=O)N	336
+c1cc(ccc1C(=O)NS(=O)(=O)c2ccc(N)c([N+]([O-])=O)c2)-c3ccc(cc3)F	4651
+c1cc(ccc1C(N)=O)-c2cc(-c3cc(ccc3)[N+]([O-])=O)c(OC)cc2	9483
+c1cc(ccc1C(=O)C)C(=O)N	169
+c1cc(ccc1C(N2CCOCC2)=O)Nc3nc(Cl)ccc3C(=O)N	393
+c1cc(ccc1C(N)=O)-c2nnc(n2C)OC(C)c3nc(on3)-c4cccc(c4)Cl	666
+c1cc(ccc1C(OC)=O)CNc2nc(nc(NC3Cc4c(cccc4)C3)n2)N	1342
+c1cc(ccc1F)C(=O)c2c(nccc2)N	905
+c1cc(ccc1C(c2cc(OC)c(OC)cc2)=O)C(NCCOc3cccc(C(=N)N)c3)=O	4824
+c1cc(ccc1C2CCC=3C(=O)NC(=O)NC2=3)F	4823
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(c3cccc(c3)Cl)CC(CC(N)=O)(C)C1=O	83
+c1cc(ccc1C2N(CCC2)c3ccnc(c3)N)F	664
+c1cc(ccc1C=2N(C(c3cnn(-c4cc(ccc4)C(=N)N)c3N=2)=O)c5ccc(cc5)Cl)-c6cnc(cc6)N	4824
+c1cc(ccc1C=CC(=O)N)OC(F)F	2045
+c1cc(ccc1C(=O)N)CC(=C(C(=O)OC)C(C)C)C(OC)=O	2822
+c1cc(ccc1CC2(C(C)(C)CN(CC2)CCCOc3ccc(Cl)cc3C(N)=O)O)Cl	666
+C1CC(CCC1C(N)=O)N2C(=O)C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)n5ncnc25	83
+c1cc(ccc1CCC(=O)N)N	327
+c1cc(ccc1COc2c(cc(Br)cc2)CN3CCC(CC3)(CN)O)Cl	906
+c1cc(ccc1COc2cc(ccc2)OCc3c4c(ncc(c4sc3)C(=O)OCC)N)Cl	1871
+c1cc(ccc1Cl)Cc2c(C#N)c(-c3ccnc(c3)NC(=O)C)sc2C(=O)N	767
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4c(c(ncn4)NC5CCN(CC5)Cc6cc(ccc6)C(N)=O)c3	169
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4ncnc(NC5CCN(CC5)c6ccc(cc6)CC(=O)N)c4c3	83
+c1cc(ccc1NC(Nc2ncccc2OCc3c(Cl)cccc3)=N)Cl	3051
+c1cc(ccc1Cl)SC2CN(C2)C(N)=O	9484
+c1cc(ccc1Cn2c3ccc(F)cc3c(c2CCC(=O)N)C)-n4cncc4	83
+c1cc(ccc1Cn2c3ccc(OC)cc3c(CC(C)CC(N)=O)c2C)Br	83
+c1cc(ccc1Cn2c3c(c(C(=N)N)n2)cccc3)OC	9485
+c1cc(ccc1Cn2c3ccccc3nc2CC4CCN(CC4)CCNC(=S)N)F	4816
+c1cc(ccc1F)-c2cc(Cn3c(nc4c(nc5ccccc5c34)N)CCC)on2	3379
+c1cc(ccc1F)-c2nc3n(c2)c(c(s3)C(N)=O)C	1169
+c1cc(ccc1F)-c2csc3ncnc(CCCCOc4cncc(C(N)=O)c4)c23	2682
+c1cc(ccc1F)-c2c(cnn2C3CCCCC3)C(N)=O	1356
+c1cc(ccc1F)-n2c(-c3cn(cn3)-c4ccc(cn4)C(=O)N)c(nn2)C	393
+c1cc(ccc1F)COCC2n3c4c5ccccc5[n+](c(N)c4nc3COC2)[O-]	574
+c1cc(ccc1F)Oc2ccc(cc2)-c3nc(NC(C(=O)N)C)cc(Cl)c3	327
+c1cc(ccc1N2CCN(CC2)c3nc(-c4ccccc4)c(C(=O)N)s3)OC	4130
+c1cc(ccc1-c2noc(C(N)=O)c2)O	2633
+c1cc(ccc1O)-c2nc(C(=O)N)cs2	9486
+c1cc(ccc1O)C(c2ccc(cc2)O)=C(CC)c3ccc(cc3)OCC(=O)N	83
+c1cc(ccc1Br)OC(C)C(=O)N	83
+c1cc(ccc1N(C(=O)CN)C(C)C)OC	9487
+c1cc(ccc1S(=O)(=O)N)OC	336
+c1cc(ccc1OCC(C)N)OCC=C(C)C	316
+c1cc(ccc1OCC2CCN(CC2)C(=O)C=Cc3cnc4c(c3)CC(C(=O)N)C(=O)N4)F	4821
+c1cc(ccc1OCCOc2cc3CCCCc3cc2)CC(C(=O)OC)C(N)=O	9488
+c1cc(ccc1OCc2cccc(F)c2)N3CC(C(=O)N)CC3=O	83
+c1ccccc1COc2ccc(cc2)C(N)=O	169
+c1cc(ccc1Oc2ncnc(N)c2)[N+]([O-])=O	266
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(c2)cc(C(N)=O)[nH]3	247
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(cc([nH]3)C=4SC(CN=4)CC(=O)N)c2	83
+c1cc(ccc1F)C2CCC(C(=O)N)N2S(=O)(=O)c3ccc(cc3)C	327
+c1cc(ccc1CCC(=O)N)[N+]([O-])=O	2168
+c1cc(ccc1[N+]([O-])=O)COC(=O)N2C(CC(OS(=O)(=O)C)C2)COCC(N)=O	83
+c1cc(ccn1)-c2cc(N)c(s2)C(=O)N	767
+c1cc(ccn1)-c2sc(c(NCC)c2)C(=O)N	767
+c1cc(ccn1)-c2cc(c(s2)C(=O)N)NCCCC	767
+c1cc(nc(Cl)c1OCOC)C(=O)N	247
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(C)c(C(N)=O)n(C)n3)c1N4N=NN(C4=O)C	1612
+c1(Nc2nc(OCC)ccc2)c(nnc(Cl)c1)C(=O)N	314
+c1ccc2c(c1)C(=O)N(C2=O)CCc3ccc4nc(N)c5nc(CCOC)n(c5c4c3)CCCN6C(CCC6)=O	461
+c1cccc(c1OCCC)-c2nc(cc(n2)C(N)=O)O	314
+c1cc(ccc1)-c2c3c4c(C(CC3)N)cccc4[nH]2	474
+c1ccccc1-c2c(nnc(c2)N)Cl	1969
+c1ccccc1-c2nn(CC(=O)N)c3C(=O)N(c4ccc(cc4)Cl)C(=Nc23)c5ccc(cc5)C(C)C	83
+c1c(C)c(c(cc1CCC(=O)c2sc(c(-c3ccccc3)c2)C)C)OCC(O)CN	906
+c1cc(ccc1C#N)-c2nc3c(cc2-c4ccccc4)c5nnc(CO)n5cc3	1767
+c1cc(ccc1)-c2cccc(CN)c2	9489
+c1cc(ccc1)-c2c(c(ncc2)N)[N+]([O-])=O	664
+c1ccccc1-c2nc3c(ccc(-c4c5c(nccn5c(n4)C)N)c3)cc2	522
+c1cc(ccc1)-n2c3c(ccc(C#N)c3)nc2	1767
+c1ccccc1-n2c3ncnc(N)c3c(I)c2	869
+c1ccccc1-c2nc([nH]c2)CC3COCc4ccccc4CN3S(=O)(=O)c5c6c(ccc5)cccn6	2841
+c1ccccc1C(Nc2ccc(C#N)c(Br)c2)C(=O)N	83
+c1ccccc1-c2nc(C3CCCCC3Cc4cccc(c4)OC)oc2-c5ccccc5	9490
+c1cc(ccc1)C(N)CNC(C2CC(CCC2C(C)C)C)=O	474
+c1ccccc1C(C)N2CCC(C2C(N)=O)CN=[N+]=[N-]	327
+c1ccccc1C(Nc2ccc(c(OCc3c4c(N)ncc(C(OCC)=O)c4sc3)c2)C)=O	1871
+c1cc(ccc1)C2(c3ccccc3)C=Cc4c(n[nH]c4C2)C(N)=O	247
+c1ccccc1C2=CCN(CCCC(=N)N)CC2	4822
+c1ccccc1C2CC3(c4c(ccc(c4)Br)O2)N=C(N)N(C)C3=O	9491
+c1ccccc1C2N3C(=O)N(C(=O)C3(C)Cc4c2[nH]c5ccc(OC)cc45)CCCN	2707
+c1ccccc1C=2CCN(CCCCN(C(OCC)=O)c3c(C(=O)N)ccc(c3)[N+]([O-])=O)CC=2	169
+c1ccccc1CCN2C3CC(CC2CC3)=C(c4ccc(cc4)C(=O)N)c5ccccc5	1580
+c1ccccc1CN(Cc2ccccc2)C3COC(C(N)=O)CC3	83
+c1ccccc1CN2C(=O)N(CC2)c3sc(C(N)=O)c(C)n3	1169
+c1cc(ccc1)CN2CC(O)(CC2)CN	906
+CCC1(CC)C(CCN(Cc2ccccc2)C1)N	316
+C1CC(CCC1c2nc(c3c(N)nccn23)I)CNC(OCc4ccccc4)=O	522
+c1ccccc1COC(N2CCCC2c3nc(Br)c4n3ccnc4N)=O	522
+c1ccccc1COC(N2C(CCC2)c3oc4c(cccc4C(N)=O)n3)=O	2692
+c1ccccc1COC(NC(Cn2c3c(ccc4oc(C(N)=O)cc34)cn2)C)=O	9492
+c1ccccc1COC(NC2C(=O)N3N(CCCC3c4nc(-c5ccc(cc5)Br)c[nH]4)C(=O)CC2)=O	4165
+c1ccccc1COC(Nc2cccc(c2C)-c3c4c([nH]c5cc(OCCOC)ccc45)c(nc3)C(=O)N)=O	2268
+c1ccccc1-c2c(-c3c[nH]c(COCc4ccccc4)n3)c(C)on2	9493
+c1ccccc1COc2ccc(c(c2OC)[N+](=O)[O-])C#N	1767
+c1ccccc1COc2c(cc(cc2)CC(N)=O)C	83
+c1ccccc1COc2c(cccc2CC(CSCCC(N)=O)O)C3CCCC3	327
+c1ccccc1COc2cc(cc3[nH]c(C(=O)N)cc23)C	314
+c1ccccc1COc2cc(ccc2)-c3nc(n4ccnc(N)c34)C5CC(C5)CO	522
+c1ccccc1COc2ccc(Cl)cc2Cn3c(C)cc(C(N)=O)n3	247
+CC(C)(Cn1c(COCC)nc2c([n+]([O-])c3cc(ccc3c12)OCc4ccccc4)N)NS(=O)(=O)C	574
+c1ccccc1COc2ccc3c(n(-c4sc(c(n4)-c5cc(ccc5)Cl)C(N)=O)cn3)c2	1169
+c1ccccc1COc2c(c(ncc2)N)[N+]([O-])=O	905
+c1ccccc1Cn2c3ccc(cc3c4c(cc(-c5c(C)noc5C)cc24)C(N)=O)OC	169
+c1cc(ccc1)Cn2c3cccc(C(N)=O)c3c4c(O)cccc24	666
+c1ccccc1N2C(=O)c3c(C=C2C(Nc4c(cnc(n4)N)I)C)cccc3-c5cn(nc5)C	911
+c1ccccc1-c2nc(Nc3ccccc3)nc(n2)N	1342
+c1ccccc1OCC2OCCN(S(=O)(=O)c3c(C(=O)N)[nH]c4c(N)cc(Cl)cc34)C2	314
+c1ccccc1Oc2c(NS(=O)(=O)C)cc3OC(C(N)=O)=CC(c3c2)=O	9494
+c1ccccc1Oc2cc3c(N)c(C(=O)OCC)cnc3cc2	1724
+c1ccccc1SCCCCCn2c(nc3c(N)nc(C)c(C)c23)C	3085
+c1cc(ccc1)C#CCOCCn2c(C)nc3c(N)nc(c(c23)C)C	3085
+c1ccccc1Sc2c(C(=O)N)cccc2	1580
+c1cccn1-c2cc(c(Cl)cc2)C(N)=O	169
+c1n(c2c(c(ncn2)N)n1)C3CC(C=C3)CO	1095
+c1c(-c2cn(-c3ccnc(Cl)c3)cc2C(N)=O)c(ccc1)Cl	393
+c1nc(c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C)C(=O)N	2268
+c1nc(C(=O)N)c2n1-c3ccc(cc3C(N4C2CC4)=O)F	2268
+c1(N)ncc(c(n1)-c2n(C)c(C)nc2)F	911
+c1nc(ncc1)-c2c(N)nccc2	905
+c1ncncc1-c2cc(OCc3cccc(N)n3)nc4CCCCc24	905
+c1ncncc1Cn2nc(c3cc(cnc23)F)-c4nc5c(nn4)C(C)(C)C(=O)N5	9495
+Clc1ccc(c(Cl)c1)C=2NC(=O)c3cc(nn3C=2)C(=O)OCC	4270
+c1(c2ccc(cc2n(CC)c1)C(=O)OC)C(=O)N	393
+n1(c(c(C(=O)N)cn1)-c2ccc(-c3c(C)cnc(OC)c3C)cc2F)C4COCC4	1356
+C(CCCCC(NC)=O)CCCCCCn1c(nc2c(N)nc3ccccc3c12)CCC	461
+C(C)(O)C#Cc1nc(c2c(n1)n(cn2)C)N	1095
+O(c1c(ncc(N)n1)C(=O)N)C	2232
+c1cc(ccc1-c2c(Cl)ncnc2N)C	266
+c1(ncnc(Cl)c1-c2noc(n2)C)N	266
+Nc1c(ncnc1N)Cl	266
+Nc1c(nc(nc1Cl)C)N	266
+c1ccccc1CSc2nc(c(c(N)n2)[N+]([O-])=O)Cl	266
+C(OC)CCNc1nc(Cl)cc(n1)N	266
+c1(Cl)nc(c2ccccc2n1)N	266
+O(n1nnc2c1cccc2)c3nc(NC(c4ccc(F)cn4)C)c(C(=O)N)cn3	1906
+O(n1nnc2c1cccc2)c3nc(Nc4cccc5c4ccn5C)c(cn3)C(=O)N	1906
+n1c(nc(cc1NCC(C(N)=O)O)C(=O)N)Cl	327
+n1c2c(ccc1)cc(cc2)C(=O)N	666
+c1nc(ncc1-c2ccc(cc2)F)N	911
+n1ccnn1-c2c(C(N3CC(C(N)=O)CCC3C)=O)cccc2	83
+n1n2CCCC(c2c(c1C(=O)N)[N+](=O)[O-])=O	1134
+o1c(Br)ccc1-c2nc(-n3nccc3)cc(n2)N	266
+s1c(C)ccc1C(=O)N	767
+s1c(ccc1C(=O)C)CC(N)=O	327
+c1(sc(c(c1Br)C#N)Br)C(=O)N	767
+C(CC1CN(C(=O)C)c2cc(C)cc(C)c12)C#N	830
+Cc1ccc(c(F)c1)C#N	1879
+c1(c(C)cc(cc1Br)F)C#N	1879
+Nc1c(cc(cc1[N+]([O-])=O)F)C#N	160
+Nc1ncc(C#N)c(Cl)c1	2189
+Nc1ncc(C#N)c(F)c1	2189
+O(C)C(OC)CN(C1CCCCC1)C(CCOCCc2cccc(C#N)c2)=O	160
+O(CC)C(C(C)c1cc(C)c(cc1)C#N)=O	1013
+O(CC)C(C(C)c1ccc(nc1)C#N)=O	577
+O1CCOC12CCC(CC2)(c3ccc(nc3)C#N)O	9496
+O1c2c(OC1)c(Cl)cc(CC#N)c2	177
+O1c2cc(CC#N)cc(F)c2OC1	177
+c1c(cc2CCC(c2c1)(C#N)CC#N)F	9497
+C(OC)(=O)NC1(C(CC#N)C1)c2cc([N+]([O-])=O)ccc2	300
+C1CC(CCC1CC#N)Nc2c([N+]([O-])=O)cnc3ccsc23	300
+CC(C)C(CCC#N)c1c(OC)ccc(c1)C	300
+c1cc(ccc1)COc2c(c(ccc2)C(OCC)=O)CCCC#N	300
+N#CCc1ccnc(Br)c1	1686
+O=S(=O)(C)c1cccc(c1)-c2ccc(s2)-c3n(nc(CC#N)c3)-c4ccccc4Cl	1461
+c1cc(ccc1Oc2cc(C#N)nc(C)n2)CS(=O)(=O)NC	2266
+O=S(=O)(c1cc(ccc1)C(O)CC#N)NC2CCCCC2	830
+C1CC(CCC1)CC(=O)Nc2c(ccc3c2ccc(N4CCC(C#N)C4)n3)Cl	4444
+C1CC(CCC1COC=C)CC#N	300
+c1(NC(C)=O)c(c(CC#N)c(Cl)cc1)F	1686
+c1cccc(-c2ccc(CC#N)c(C)c2)c1Cl	1686
+O=S(=O)(c1c(c(Cl)ccc1)Cl)Nc2c(nc(cn2)C#N)OCc3cnccc3	9498
+O=S(=O)(c1cc(ccc1)C#N)c2cnc(C=Cc3ccc(cc3F)F)cc2	160
+O=S(=O)(c1cccc(-c2c3c4cc(cnc4[nH]c3c(C#N)nc2)C)c1)CC	4092
+O=S(=O)(Cc1ccc(C#N)c(OC)c1C(=O)O)c2ccccc2	160
+O=S1(=O)c2c(C(c3ccccc3)NC(CC)(C1)CCCC)cc(c(CCCC#N)c2)OC	300
+c1cc(OC)cc(OC)c1C(CCCCC)CC#N	2771
+C(CC1Oc2c3ccc(O)nc3c(C)cc2C1)C#N	913
+C(C#N)c1cc(C)c(SC)cc1F	177
+[N+](c1cc(CC#N)cc(Br)c1)([O-])=O	163
+c1(c([N+]([O-])=O)cc(C)c(C#N)c1)OC	1879
+Cc1cc(ccc1C#N)C(=O)C	9499
+C(C#N)c1c2c(ccc1C)cccc2	177
+c1(C)cccc(C)c1CNc2cccn3c(C)c(CC#N)nc23	9500
+c1(CC)c(ccc(CC#N)c1)Br	177
+N#CCc1c(C)nccc1	1716
+N#Cc1cc(CO)c(Cl)s1	9501
+c1c(Cl)c(c(cc1CC#N)Cl)Oc2cc3c(C(C)C)c[nH]c3cc2	163
+C(C#N)c1c(cc2OCOc2c1)F	177
+c12c(c(ccc1)O)cc(c(C#N)c2)F	160
+c1(I)cc(ccc1F)CC#N	163
+c1(OC)cc(CC#N)cc(Br)c1	163
+c1(OC)cc(F)cc(CC#N)c1	177
+c1(c(-c2ccc(s2)Cl)nn(c1)C(C)CC)-c3cc(C#N)ncc3	577
+c1ccc(c(OC)c1CC#N)Oc2c(F)cccc2	163
+c1(c(F)c(c(c(OC)c1)F)N2Cc3cnc(cc3C4(CC4)C2=O)C#N)OC	577
+c1(c(F)ccc(CC#N)c1)[N+]([O-])=O	163
+C(C#N)CCC(=CCc1c(OC)c(c(c(OC)c1C)C)C)C	1409
+c1(c(CCCC#N)cc(c2ccccc12)OC)OC	1409
+c1(c2c(c(ccc2)C#N)cc(Cl)n1)O	160
+c1(cc(F)ccc1)-c2cc(nc(n2)C)C#N	2266
+c1(OC)cc(cc(OC)c1OC)CC#N	177
+c1(cc(CC#N)cc2c1OCO2)OC	177
+c1cc(CC#N)cc2c1OCCO2	177
+c1(cc2sc(C#N)nc2cc1)NCCCC	9502
+C(C#N)c1ccc(C)c(C)c1	177
+c1c(CC#N)cnc(C)c1	1716
+c1(ccccc1Cl)Oc2ccc(c(CC#N)c2)OC	177
+c1(ccccc1Oc2c(OC)c(ccc2)CC#N)C	177
+c1(c2CCCC(c2ccc1)=O)C#N	160
+c12N(C3CN(CCC3C)c4ccnc(n4)C#N)C(Nc1cnc5[nH]ccc25)=O	738
+n1c(c2ccc(cc2cn1)-c3c(C)ccc(c3)C(=O)OC)C#N	2660
+c12c(ccc(C#N)c1nccc2)[N+]([O-])=O	2779
+c12c(cccc1)cc(c(c2)C)CC#N	163
+n1cc2c(cc[nH]2)c(C#N)c1	9503
+C(=C1c2cccc([N+]([O-])=O)c2C=C[N+]1=O)=[N-]	9504
+c1c(C#N)ccc2C(N(C3(C)CCC(=O)NC3=O)Cc12)=O	160
+c1c(C#N)ccc2C(N(C3CCC(=O)NC3=O)Cc12)=O	160
+c1c(C)oc(c1)CNc2ccc3c(cccc3C#N)n2	9505
+C(c1cccc2ccc(OC)cc12)C#N	177
+Clc1cc(cc(Cl)c1CC#N)Cl	177
+c1(Cl)cc(cc(Cl)c1)CC#N	177
+c1c(nc2c(C(CCC2)=O)c1)C#N	577
+c1c(F)c(c(cc1OC)F)CC#N	163
+C1(CC)Oc2c(OC1)ccc(C#N)c2	1013
+c1c(OC)c(Cl)ccc1CC#N	163
+C(C#N)c1cccc([N+]([O-])=O)c1C	177
+c1c(c(C2(O)C(=O)Nc3ccc(cc23)C#N)ccc1)OC	1013
+C(C#N)c1cccc(Cl)c1C	177
+C(C#N)c1cccc(c1F)OC	177
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5c(ccc(C#N)c5)-c4n3)c1F)F	160
+c1c2c(cc(CC#N)c1)CCC2	177
+c1(CC#N)ccc2C(Cc3c(Sc2c1)cccc3)=O	163
+c1c2c(nc(-c3cc(c(CC#N)cc3)-c4cc(ccc4)C#N)o2)ccc1	163
+FC(F)(C(F)F)Oc1cc(ccc1)Nc2nccc(C3=CC(=C=[N-])[N+](C=C3)=O)n2	9506
+c1cc(ncc1Br)CC#N	1461
+C(C#N)c1ccc(cc1C)F	177
+C(C#N)c1ccc(Cl)nc1Cl	1716
+c1cc(CO)cc(c1OC)C#N	160
+c1cc(Cl)c(cc1CC#N)C(=O)O	163
+c1cc(cc(CC2COC(=O)N2CCC)c1OC)C#N	160
+c1cc(C#N)cc(C)c1OC(C)=O	160
+c1cc(CCC#N)cc2CC(Nc12)=O	913
+c1cc(ccc1)-c2c(CN)c(CC(C)C)nc3ccc(cc23)C#N	160
+c1cc(ccc1)-c2c3ccc(cc3no2)CC#N	163
+c1cc(ccc1)-c2onc3c2cccc3CC#N	1689
+c1cc(ccc1)C(CC(OCC)=O)Nc2c([N+](=O)[O-])ccc(n2)C#N	577
+c1ccccc1C(c2cc(ccc2)OC)CCC#N	830
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)C(c4cc(cc(F)c4)C#N)C(C)(C)F	160
+c1cc(ccc1)CN2CCC(C2)CC#N	913
+c1cc(ccc1)NC2(CCN(CC2)Cc3ccccc3)C#N	1621
+c1cc(ccc1)CN2c3c(c(nc(CC#N)n3)N)NC2=O	9507
+c1cc(ccc1)COC(=O)N2CC(OCC2)CCC#N	913
+c1cc(ccc1C2(c3ccc(cc3)F)CCC(CC2)N4CCC(CC4)(C#N)Nc5ccccc5)F	1621
+c1cc(ccc1)Oc2c(c(CC#N)ccc2)OC	163
+c1cc(ccc1)Oc2cccc(n2)C#N	1704
+c1cc(ccc1)S(=O)(=O)c2cccc3cc([nH]c23)C(=O)Nc4c(-c5nnn[nH]5)cc(C#N)cc4	1013
+c1cc(ccc1-c2c(cc(C(=O)c3occc3)s2)CC#N)F	9508
+c1cc(ccc1-c2cncnc2C#N)C	2266
+c1cc(ccc1C#N)-c2nc(N3C(COC3=O)CF)sc2	160
+c1cc(ccc1-c2nc(c3cccc(C#N)c3c2)O)CN4CCN(CC4)C	160
+c1cc(ccc1C#N)-n2nc(c(C=O)c2C)C	160
+c1cc(ccc1C2CC2CC#N)Br	2771
+c1cc(ccc1C#N)C2CC3(C(N(C(N3)=O)C)=O)CC2	160
+c1cc(ccc1Br)CCc2c(CC#N)cccc2	163
+c1cc(ccc1CC=C(C)C)C(C)C#N	3583
+c1cc(ccc1C(C2CCC2)=O)CC#N	163
+c1cc(ccc1C(=O)c2cc(CC#N)ccc2)Cl	163
+c1cc(ccc1C)S(=O)(=O)N2c3c(C(CCC2)CC#N)cccc3	1409
+CC1(CCC(CC1CCC#N)OC(=O)C)C2CCC3(C)C(CCC3C2OC(C)=O)=C	677
+c1c(cc(CCCC#N)c(F)c1)Br	677
+c1cc(ccc1C(=O)c2cccs2)CC#N	163
+c1cc(ccc1CC(C(C)O)c2cccc(C#N)c2)Cl	160
+c1cc(ccc1CC#N)Sc2c(O)nc(nc2C)N	177
+c1cc(ccc1CN2C(=O)N(N=C(OC)C2=O)c3c(CC#N)cccc3)Cl	163
+c1cc(ccc1CC#N)Cc2c(C)nc(N)nc2NCCCCC	177
+c1cc(ccc1Cc2c(OCc3ccccc3)cccc2)CC#N	177
+c1cc(ccc1Cl)-n2c(-c3c(ccc(C#N)c3F)F)c(nc2)Cl	160
+c1ccccc1Oc2cc(ccc2F)C(OC(=O)C3C(C=C(c4ccc(cc4)Cl)Br)C3(C)C)C#N	9509
+c1cc(ccc1Cl)Cn2c(nc3nc(C#N)nc(NC(C)C4CC4)c23)-c5c(ccc(C)c5)OCCC=C	738
+c1cc(ccc1Cl)N2c3c(N=C(C#N)C2=O)cccc3	9510
+c1cc(ccc1C#N)Oc2ncc(cc2)C	4741
+c1cc(ccc1F)-c2ccc(cc2)C(=O)NC3CCc4c(C3)ccc(C#N)c4	160
+O=S(=O)(c1ccccc1)n2c3ccccc3c(-c4nc(ncc4C#N)NC5CN(CC5)C(c6ccc(cc6)N)=O)c2	9511
+c1cc(ccc1N2CCN(CC2)C)Nc3nc(c(CC)nc3C(=O)N)Oc4cc(C#N)cc(c4)[N+](=O)[O-]	160
+c1cc(ccc1OCCc2ncc(CC#N)cc2)[N+]([O-])=O	1716
+c1cc(ccc1Oc2ccc(cc2CC#N)C)C	177
+c1ccccc1COCC2C(CC=CC2)CC#N	677
+N#CCC1Cc2c(cccc2)OC1	677
+c12ccccc1OC(CC2)CCC#N	677
+O1c2c(cccc2)CC1CCC#N	677
+c1c2NC(CCc2cc(C#N)c1)=O	1013
+c1cc2c(cc(cn2)C#N)cc1CO	1684
+c1cccc2c1c(c3ccccc3c2C=O)C#N	160
+c1cc2c(ccc(NC(C)=O)n2)cc1CC#N	163
+c1cc2ccc(nc2c(c1F)CC#N)OC	1689
+c1ccc(nc1-c2cccc(n2)C(OC)=O)C#N	1704
+C(C#N)c1cccc(OCCOC)c1OC	177
+c1ccccc1-c2n(c(nc2-c3ccccc3)-c4ccccc4)CCCCCCCC#N	830
+c1ccccc1-c2onc3ccc(cc23)CC#N	163
+c1ccccc1-c2ccc(-c3nnc(N(CCOC)C)n3-c4ccccc4C#N)cn2	160
+c1ccccc1-n2nc(CC#N)c(c2)C	1461
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CC#N	163
+c1ccccc1C(CCCC#N)c2c(C)c(c(c(C)c2OC)C)OC	1409
+c1cc(ccc1)C2C(CC#N)CC(=O)N2C	677
+c1ccccc1C=2N(CC(NC(C(C#N)O)Cc3ccccc3)=O)C(=O)C(C(C)C)N(C(C)=O)C=2	2069
+c1ccccc1CCCCCCC(O)C#N	2069
+c1ccccc1COc2cc(CC#N)cc(c2OC)F	177
+c1ccccc1COc2c3n(CCOC)c(nc3cc(C#N)c2)C	2627
+c1ccccc1COc2c(OC)c(cc(c2)F)CC#N	177
+c1ccccc1COc2ccc(CC#N)cc2[N+]([O-])=O	177
+c1ccccc1COc2ccc(cc2)N(c3ccc(cc3)C(CC#N)C)C	300
+c1ccccc1COc2ccc(cc2)N3C(=O)CC(CC#N)C3	913
+c1ccccc1COc2cc3c(C#N)nc(C(=O)OCC)c(c3cc2)O	1704
+c1cc(ccc1)Cc2c(CC#N)cccc2	163
+c1ccccc1N2C(=O)c3c(C=C2C(C)Nc4nc(ncc4C#N)N)cccc3-c5cn(nc5)C	9512
+c1ccccc1OCc2cc3c(ccc(C#N)c3)o2	1013
+c1ccccc1Sc2ccc(Br)cc2CC#N	177
+c1ccccc1Sc2c(cc(cc2)F)CC#N	177
+c1ccccc1Sc2ccc(cc2C)CC#N	177
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCc3cc(CC#N)ccc3	177
+c1nc(ncc1)-c2cc(CC#N)ccc2	163
+c1nc2Nc3cc(CC#N)ccc3Sc2nc1	177
+n1(ncc2cc(C#N)c(C)cc12)CCCC(OCC)=O	160
+c12c(nc(nc1c(NC)nc(n2)C#N)NCCC)NC	9513
+c1nc(ncc1Br)C#N	738
+c1(cccc(F)c1C(COc2c(nccc2)Br)N)F	4825
+c1(c(cc(cc1C(C)N)Cl)OC)OC	4825
+c1(oc(nn1)-c2ccc(C)cc2C)N	3086
+Nc1nc2c(cc(C)c(c2C)[N+]([O-])=O)[nH]1	2932
+c1c(Cl)cc(cc1Oc2c(n(Cc3nnc(o3)N)nc2CC)CC)Cl	1517
+c1(C)cccc(C)c1Nc2n3c(nc2-c4c(cccc4)-c5nnc(N)o5)ccc(F)c3	3086
+n1n2c(N)nnc2c(c(CC)c1Cl)C	4826
+c1cc(ccc1)N(CCCCCCCCOc2cccc3ccccc23)C#N	1201
+c1cc(ccc1)OCC2N=C(N)OC2	4827
+c1cc(ccc1NC#N)Br	9514
+c1cc(ccc1C2(CCN(CC2)C(c3cc(-c4oc(N)nn4)c(cc3CC)C5CCC5)=O)F)C#N	3086
+c1cc(ccc1Cl)Nc2ccc(cc2)CCC3NC(=N)OC3	4828
+c1cc(ccc1Cc2nnc(o2)N)F	1517
+c1cc(ccc1CCC2NC(OC2)=N)NS(=O)(=O)c3cccc4cnccc34	4828
+c1ccccc1C(CCC2COC(N)=N2)C	4827
+c1ccccc1S(=O)(=O)Nc2cccc(Sc3ccc4c(CN(C(N)=N4)CCC)c3)c2	2637
+c1ccccc1S(=O)(=O)Nc2cccc(c2)S(=O)c3ccc4N=C(N)N(Cc4c3)CCC	2637
+O(CC)c1cc2nnc(N)n2nc1OCC	4826
+O(C)c1c(C(N)C)cc(c(F)c1Br)Cl	1354
+O(c1cccc(c1)F)C2=CC=C[N+](=O)C2=C=[N-]	9515
+CCOC(=O)c1c(C)nc(-c2cccnc2)[nH]1	9516
+C1CCC(C1)c2n(CC(OCC)=O)c(c(Cc3ccccc3S(=O)(=O)N4CCCC4)c2C#N)C	4671
+C(C#N)c1cccc([N+]([O-])=O)c1C	9517
+O=[N+]1C=CC=C(Cl)C1=C=[N-]	9518
+N#CCc1ncc(Br)cc1Cl	9519
+Clc1cc(c(c([N+]([O-])=O)c1C)-c2cc(F)ccc2)C(C)N	1354
+C(#N)CC(O)c1cc(ccc1)O	3692
+c12cc(ccc1cncc2)C(CC#N)=O	3075
+C(c1ccccc1Br)(CC#N)=O	3075
+C=1(C)[N+](=O)C(=C=[N-])C(=CC=1)Br	9520
+c1cc(cc(c1)F)-n2c(C(N)C)cc3c(Cl)cccc23	9521
+c1cc(ccc1)-c2c(F)cc(C(C)C(CC#N)=O)cc2	2479
+c1ccccc1C(c2ccccc2)(O)CC#N	9522
+CC(C)(c1cc2cnn(c2cc1)-c3ccc(cc3)F)C(C)(C)C(=O)N	3536
+c12cc([N+]([O-])=O)ccc1[N+](=O)C(C=C2)=C=[N-]	9523
+C1(c2csc(-c3ccc(c(OCC)c3)OCC)n2)=CC=CC([N+]1=O)=C=[N-]	9524
+c1ccccc1COc2ccc(C(=O)CC#N)c(c2)F	4245
+c1cc(ccc1)CC2=CC=CC(=C=[N-])[N+]2=O	9525
+C(C(OCC)=O)n1nnc(C#N)c1	9526
+N#CC(C#N)=C(NCCSCc1c(C)nc[nH]1)NCCSCc2sc(nn2)N	3237
+Clc1cc(Nc2[nH]nc(N)c2C#N)ccc1	4829
+c1cc(ccc1)Nc2c(C#N)c([nH]n2)N	4829
+c1cc(ccc1C=2C(C)(C)OC(=C(C#N)C#N)C=2C#N)-n3nnc(-c4ccc(cc4)N(CC)CC)c3	2274
+N#CC(C#N)=C1C(=C(c2ccc(cc2)N=[N+]=[N-])C(C)(C)O1)C#N	1870
+c1cc(ccc1OC)-n2c(N)c(C#N)cn2	9527
+Clc1ccc(c(Cl)c1)-c2c(CN)c(nc(-c3cc(c4ccn(c4c3)C)OC)n2)N	4780
+c1cc(ccc1I)C(OC)=C(C#N)C#N	3240
+c1c2c(ccc1)nccc2Nc3sc(N)c(C(N)=O)n3	3087
+c1cc(ccc1Nc2nc(C(=O)N)c(N)s2)OC	3087
+c1(sc(Nc2cc3cccnc3cc2)nc1C(=O)N)N	3087
+C1CCC(C1)(CN)CN	9528
+O=S(=O)(c1ccccc1[N+](=O)[O-])OCC(=O)N2CC(CC2C#N)F	9529
+C1C(C(c2ccc(cc2Cl)F)O)C1C#N	74
+O=S1(=O)CCCN1CC23CC4C(CC(C2)C4)(C3)NCC(=O)N5C(C#N)CCC5	402
+c12c(cccc1)C(=O)N(C2=O)CC34CC5CC(NCC(=O)N6C(C#N)CCC6)(C(C5)C3)C4	402
+c1cc(ccc1F)C(N2CC(CCC2)C#N)=O	115
+C(CN1CC(CC1CO)O)C#N	987
+CCP(CCC#N)(=O)O	4332
+Cc1cc(cc(C)c1Br)C=CC#N	858
+c1(cc2c([nH]c3c2cccc3)cc1)C=CC#N	1046
+c1(cccc(C(=O)O)c1)NCCC#N	3041
+c1c2c(CCCN(CCC#N)C)c[nH]c2ccc1	987
+c1c2c(ccc1)CC(CCNCCC#N)CO2	1287
+c1cc(ccc1)NCCC#N	3041
+C(Cn1cnc(c1)[N+](=O)[O-])C#N	9530
+c1cc(ccc1)COc2nccc3c2c(N)nn3C(CC#N)C	9531
+C(#N)COc1c(C=O)cccc1C	489
+O=S(=O)(C(C)C)NCC(C)c1ccc2cc(OCC#N)ccc2c1	489
+O=S(=O)(C)NCCc1cc2ccc(OCC#N)cc2cc1	489
+O=S(=O)(N)c1ccc(NC2CCN(CC#N)C2)c(c1)[N+]([O-])=O	1576
+Cc1cc(cc(C)c1OCC#N)Cl	489
+C(#N)Cn1c2c(ccc([N+]([O-])=O)c2)cc1	9532
+N#CCOc1cc(c(OC)cc1)OC	489
+c1cc(ccc1)Cc2c3c(n(C)c2-c4ccccc4)ccc(-c5ccc(cc5)OCC#N)c3	489
+c1cc(ccc1-c2ccc3c(c2)c(CCCCC)c(n3C)-c4ccccc4)OCC#N	489
+c1cc(ccc1OCC#N)C=2C=CC(N(C=2)Cc3c(cc(Cl)cc3)F)=O	489
+c1cc(ccc1OCC#N)-c2cc3c(c(n(C)c3cc2)-c4ccccc4)C	489
+c1ccccc1-c2n(c3c(c(-c4ccc(cc4)OCC#N)ccc3)c2C)Cc5ccccc5	489
+c1cc(ccc1OCC#N)-c2ccc3n(Cc4ccccc4)c(C)c(C)c3c2	489
+c1ccccc1Cn2c3cccc(OCC#N)c3c4cc(C)ccc24	489
+c1ccccc1S(=O)(=O)n2ccc3cc(cnc23)-c4nn(cc4-c5nc(SC)ncc5)CC#N	4497
+C(C(=Cc1cc2c(n[nH]c2cc1)CC)C(C)=O)#N	9533
+c1cc(ccc1NC(=O)CC#N)-c2ccc(c(n2)O)C(O)=O	26
+[N+]([O-])(=O)c1ccccc1C=C(C#N)C(=O)N	2204
+c1cc(ccc1Cl)-c2c(-c3c(Cl)cc(cc3)Cl)nc(O)c(c2)C#N	2213
+c1cc(ccc1C)-c2c(-c3c(Cl)cc(cc3)Cl)nc(c(C#N)c2)O	2213
+c1cc(ccc1-c2c(-c3c(Cl)cc(cc3)Cl)nc(c(C#N)c2)O)F	2213
+c1cc(ccc1Cl)C(c2ccc(cc2Cl)Cn3nnc(C(=O)N)c3N)=O	4621
+c1ccccc1C=2c3c(-n4c(nnc4CN=2)CC#N)ccc(Cl)c3	1447
+C=C(C)CN1C(NC(=O)C=C1N)=O	9534
+c1(c(cc(c(Cl)c1)OC)NC(CC#N)=O)Cl	33
+Cc1cc(C)c(cc1)CNC(CC#N)=O	9
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(n(CC5CCCN5C(=O)CC#N)n3)ncnc4N)F	10
+C(C1CCCN1C(CC#N)=O)n2c3ncnc(N)c3c(n2)-c4c(cc(Oc5cccc(c5F)F)cc4)F	10
+c1cc(ccc1-c2c3c(n(CC4CCCN4C(=O)CC#N)n2)ncnc3N)Oc5cc(F)cc(c5)F	10
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CN(CCC4)C(CC#N)=O)Oc5c(ccc(F)c5)F	10
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CN(CCC4)C(CC#N)=O)Oc5cccc(F)c5	10
+c1cc(ccc1Br)-n2c(Cl)cc(NC(CC#N)=O)c2C(OCC)=O	469
+c1cc(ccc1F)NC(C2(CC2)C(=O)Nc3cc(c(cc3F)Oc4ccnc(NC(=O)CC#N)c4)F)=O	142
+c1cc(ccc1OCCOC)C(NC(=O)CC#N)CC	9
+c1cc(ccc1OCOC)C(NC(=O)CC#N)CCC	9
+c1cc(ccc1-c2nn(C3CCCN(C(CC#N)=O)C3)c4c2c(ncn4)N)Oc5c(cccc5)F	10
+c1ccccc1Oc2cc(c(-c3c4c(n(CC(C)NC(=O)CC#N)n3)ncnc4N)cc2)F	9
+c1ccccc1Oc2cc(c(cc2)-c3nn(CC4CCCN4C(=O)CC#N)c5ncnc(N)c35)F	10
+Cc1c(-c2csc(CC#N)n2)sc(N)n1	9535
+c1cc(ccc1)-c2csc(n2)CC#N	963
+c1cc(ccc1-c2c(c(nc(c2C#N)N)S)C#N)OC3CCOC3	3239
+c1c2c(ccc1)CC(CCN)CO2	51
+c1cc(ccc1)-c2cc(CCC#N)n[nH]2	9536
+c1(OCCCCC#N)c(c(O)c(cc1)C(c2c(O)cccc2)=O)CCC	8
+CC(C)N(C(=O)c1ccc(cc1)-c2occc2)Cc3ccccc3OCCCCC#N	8
+C(=C)Cn1c2C(N(C(=O)N(CCCCC)c2nc1Cl)CCCCC#N)=O	1474
+c1cc(ccc1)CC(=O)Nc2nnc(CCCCC#N)cc2	4723
+n1c(CCl)nc(c2cc(C)ccc12)O	9537
+c12sc(Br)cc1nc(CCl)nc2O	9538
+c1cc(ccc1C)CC(C)(C)NC(CCl)=O	4286
+C(Cl)c1nc2c(c(n1)O)cc(OCC)c(OCC)c2	9539
+Oc1nc(nc2c1cccc2)CCl	9540
+c1ccccc1C(c2c(Cl)c(c(OCC#N)cc2)Cl)=O	3798
+c1ccccc1C2(c3ccccc3)CCN(CC2)CC#N	1321
+O=C(NCC#N)n1cncc1	2483
+C(CCN(CCN)C)OC	51
+c1cc(ccc1C(NC(C(NCC#N)=O)Cc2nccs2)=O)-c3c(Cl)cccc3	1007
+O(Cc1sc(N)nn1)c2ccc(OC)c(OC)c2	3054
+ON=C(Cc1cccnc1)N	609
+C(C(=O)O)c1ccco1	459
+C(OC(=NC#N)CC#N)C	9541
+c1(nc2ccc(cc2[n+]([O-])n1)O)N	4830
+NC(N)=Nc1ccc(c(c1)S(=O)(=O)N2CCOCC2)C	4755
+C1CN(CCN1C)c2ccc(cc2)Nc3nc(c(C(c4cc5OCOc5cc4)=O)s3)N	4652
+n1[n+]([O-])c2ccccc2nc1N	4830
+c1ccccc1COc2cc(ccc2)NC(=N)N	9542
+C(c1c(c(-c2ccc(c(c2)Cl)Cl)[nH]c1Cl)Cl)#N	9543
+N#Cc1c(Cl)cc(cc1)-c2c(n(Cc3ccc(C(=O)O)nc3)nc2C)C	1
+N#Cc1c(Cl)cc(cc1)-c2c(n(Cc3ccc(nc3)C(NN)=O)nc2C)C	1726
+N(c1c(C#N)ncc(NC(C)C(N)=O)n1)c2cc3c(nc2)cccc3	9544
+Nc1n[nH]c2c1cc(I)cn2	1448
+N1(c2c(cccn2)C#N)CCc3c(nc(o3)-c4ccccn4)C1	43
+O=S(=O)(N(CCNc1c(C#N)nccc1)C)C	2849
+NC(=O)c1c(NC2C(CCCC2)C)c3cc(cn3nc1)[N+]([O-])=O	745
+C1CCC(Nc2c3cccn3ncc2C(=NO)N)C(C1)C	4610
+N#Cc1c(Nc2ccc(c(Cl)c2)Sc3nccn3C)c4cc5c(cc4nc1)cc(OCCCl)c(OC)c5	267
+c1(nnn[nH]1)-c2ccccc2O	424
+n1c(ncc(C#N)c1O)Nc2cccc(OC)c2	1334
+N#Cc1c(c(c2ccccc2c1)CBr)OC	9545
+c1c2c(c(cnc2c(cc1N)Cl)C#N)Nc3cc(Cl)c(cc3)F	0
+N#Cc1c(c2cc(N)cnc2nc1)Nc3cccc(c3)Br	13
+c1ccc2c(c(C(=O)OC)sc2c1)N	9546
+c1ccccc1COc2ccc(cc2)N=C(c3c(Cl)cccc3)N	1748
+NC(=O)c1c2c(N)ncnc2n(C3OC(CO)C(C3O)O)c1	745
+c1cc(ccc1Cn2c3ccccc3c(C#N)n2)OC	823
+NCc1c2c(c(OC)ccc2)ccc1	107
+N#Cc1cc(C=O)c(Cl)s1	2873
+c1(c(cc(C#N)c(c1)F)F)COc2cc(c(Cl)cc2)Cl	22
+N#Cc1cc(F)c(cc1F)CCO	95
+c1(cc(F)c(cc1F)C#N)CN	18
+NC(=O)c1cc(c(c(Br)c1F)F)F	2265
+CN(C)C=Nc1c(cc([N+](=O)[O-])c(c1[N+]([O-])=O)C)C#N	2275
+O=S(=O)(OCc1c(cc(C#N)c(F)c1)F)C	7
+c1(Br)cc2c(N)noc2cc1COc3cc(c(Cl)cc3)Cl	2134
+Nc1n[nH]c2c1cc(C#N)cn2	1448
+C1c2cc(nc(c2C(N1)=O)Nc3cc4c(c[nH]n4)cc3)NC5CCCCC5N	2798
+C1Cc2nc(O)ccc2-c3c1cccc3	2203
+NC(=O)c1cc-2c(nc1O)CCc3ccccc-23	4831
+N#Cc1c(c(CO)c2ccccc2c1)OC	49
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C#N)s3	4079
+N#Cc1ccc(Oc2ccc3B(O)OCc3c2)cc1C(=O)O	1
+Sc1c(c(c(C#N)cc1)C)C#N	1180
+N#Cc1ccc2c(c(-c3c4ccccc4ccc3)cc(N)c2)n1	0
+CCOC(=O)Nc1cc2c(c(c1)-c3c4ccccc4ccc3)nc(-c5nnn[nH]5)cc2	4832
+O=S(=O)(n1cccc1C#N)CC	4070
+O=C(c1c2CCCc3c(-c2ccc1)cccc3)O	9547
+c1(ccccc1CNc2ccc3c(cccc3n2)C(=NO)N)OC	253
+C(#N)c1c(-c2cc(N)ccc2)cccc1	11
+N#Cc1ccccc1Nc2nn3c(n2)cnc(-c4cccc(c4)C(=O)OCC)c3	490
+c1cccc2[nH]c(C(=O)OCC)c(N)c12	9548
+N#Cc1ccccc1Nc2nn3c(n2)cnc(-c4cccc(C(=O)O)c4)c3	6
+c1(oc2ccccc2c1N)C(=O)OC	9549
+N#Cc1ccccc1Oc2cc(c(C)cc2O)-c3cccs3	809
+N#Cc1ccccc1Oc2c(O)cc(cc2)C	5
+N#Cc1n(C)cc(c1)[N+](=O)[O-]	9550
+n1c(c(C=O)cn1-c2c(C#N)cccn2)C	2488
+N#Cc1c(O)ncc(I)c1	583
+c1(ccnc(C)c1)C(=O)C	9551
+N#Cc1ccnc(c1)NN	383
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)-c5nccc(c5)C#N	4451
+c1ccccc1COC(N2C(CCC(C2)Nc3nccc(c3)C#N)C)=O	182
+c1cc(ccc1)COc2n(nc(C)c2)-c3cc(ccn3)C#N	9552
+c1cc(ccc1OC)-c2n(-c3cc(C#N)ccn3)ncc2	2974
+c1ccccc1-c2n(ncc2)-c3cc(C#N)ccn3	2974
+c1cc(ccc1-c2sccc2C#N)Br	3082
+N#Cc1c(c2c(ncc([N+]([O-])=O)c2)nc1)Nc3cccc(c3)Br	698
+c1nc2c(c(Nc3cc(c(Cl)cc3Cl)OC)c1C#N)cc4cc(c(OCCCl)cc4c2)OC	179
+c1nc2cc3cc(c(OC)cc3cc2c(Nc4cc(c(Cl)cc4Cl)OC)c1C#N)O	179
+N#Cc1c(Nc2ccc(c(Cl)c2)Sc3nccn3C)c4cc5c(cc(c(OC)c5)O)cc4nc1	179
+c1(cc(-c2cc3c(ncc(C#N)c3Cl)s2)ccc1)C=O	3082
+N#Cc1c(c2cc(sc2nc1)I)Nc3cc(c(Cl)cc3Cl)OC	2844
+N#Cc1cnc2cc(c(OCCCC)cc2c1Nc3cc(c(Cl)cc3Cl)OC)OCCOC	179
+c1(N)cc(C#N)n(C)c1	13
+Nc1c(C#N)nc(Cl)cc1NC	13
+Nc1c(C#N)ncc(C)c1	13
+Brc1ccnc(CN)c1	421
+O=C(N)c1nccc(CO)c1	2835
+Cc1ccccc1-c2ccnc(C#N)c2	699
+Nc1c2ncccc2sc1C(=O)OC	9553
+Clc1c([N+]([O-])=O)cc(C)c(c1)C#N	9554
+c1(OC)c(OC)nc(C#N)cc1	4094
+c1(c(c(cc(C#N)c1N)F)F)CSC	1926
+c1cc(ccc1)COc2c(Oc3ccc(cc3Cl)Cl)cc(c(Cl)c2)C#N	1926
+c1ccccc1CNC(=O)c2c(C)cc(s2)C#N	9555
+c1cc(ccc1C(c2cncc(C#N)c2)=O)Cn3ncc(c3)C	9556
+N(=C(C(=O)O)c1c(C)sc(NC=O)n1)OC	1274
+N(C=O)c1sc(c(C(C(=O)NC2C(=O)N3C(=C(CSc4scnn4)CSC23)C(=O)O)=NOC)n1)C	471
+N(=C(C(=O)O)c1csc(NC=O)n1)OCC	1274
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(C(=NOCCC)c4nc(sc4)N)=O)=O	471
+N(=C(C(=O)O)c1csc(NC=O)n1)OCCCC	1274
+O=S(=O)(O)N1C(=O)C(C1COC(=O)N)NC(=O)C(=NOCCN=[N+]=[N-])c2nc(sc2)N	471
+c1cc(ccc1[N+]([O-])=O)COC(=O)C2=C(CSC3N2C(C3NC(C(c4csc(NC=O)n4)=NOCC)=O)=O)O	471
+N(C=O)c1scc(C(=NOCC)C(=O)NC2C(=O)N3C(=C(CSc4scnn4)CSC23)C(=O)O)n1	471
+N(=C(C(=O)O)c1csc(NC=O)n1)OCCN=[N+]=[N-]	310
+c1cc(ccc1[N+]([O-])=O)COC(=O)C2=C(CSC3C(C(N23)=O)NC(=O)C(c4nc(NC=O)sc4)=NOCCCC)Cl	471
+N(=C(C(=O)O)c1c(C)sc(N)n1)OC	3
+N(=C(C(=O)O)c1csc(N)n1)OC	3
+N(=C(C(OCC)=O)c1csc(N)n1)OCCN=[N+]=[N-]	310
+N(=C(C(=O)O)c1csc(N)n1)OCCN=[N+]=[N-]	3
+c1c2CCCC(Nc2ccc1)=O	9557
+c1(NC(NCCCCC)=O)cc2C(=O)N(Cc3ccc(c(c3)Cl)Cl)C=Nc2cc1	406
+CN(C)S(=O)(=O)c1c(c(NC(Nc2cccc(c2Cl)F)=S)ccc1Cl)O	773
+c1(cc2c(-c3c(c([nH]n3)Nc4cccc(F)c4)C2)cc1OC)OC	9558
+C(CN)NC(=S)Nc1c(CC)c2c(ocn2)cc1	1167
+CONCc1cccc(F)c1	1059
+c1ccc2c(nn(n2)-c3cc(ccc3O)CCO)c1	4833
+C(c1cc2c(F)c(Cl)ccc2[nH]1)(=O)OC	9559
+C(NC(C)CN)(=O)OC	18
+C(OC)(Cn1c(Cl)nc(c1)[N+](=O)[O-])CN	18
+O=S(=O)(C)OC(c1c(F)cnc(Br)c1)(CN=[N+]=[N-])C	7
+C1(C(OC(C1O)n2c3c(c(nc(N)n3)O)nc2)CN)O	18
+NCC1Cc2c(cccc2)C(N1)=O	18
+c1(ccccc1C(=O)NCCN=[N+]=[N-])I	93
+OP(O)(=O)CCN=[N+]=[N-]	228
+NCc1c(cccc1)I	18
+CCc1c(CN)cccn1	18
+CCCOc1c(O)cc(CN)nc1	18
+c1c(cc(Cl)c(CBr)c1)Br	4597
+n1cc(ccc1F)-c2c(cnc(NC(NCC)=O)c2)Br	9560
+c1cc(ccc1C(CCCCCl)c2nnc(Nc3ccc(-n4ncnc4C)c(c3)F)[nH]2)F	4792
+C1(=O)c2c(NC1=O)c(C)ccc2	1418
+C1(=O)C(=O)c2cc3c(cc2N1)CCC3	4834
+C(C)OC(C=1C(NC(=O)N(c2cc3c(N(C(S3)=O)C)cc2)C=1)=O)=O	9561
+N(C(=O)OCc1cc2c(OCO2)cc1)C3=NC(=O)N(CC(O)=O)C=C3	3
+O=S(=O)(N1CCN(CC1=O)C(=O)CN2C(=O)NC(C=C2)=NC(OCc3cc4OCOc4cc3)=O)c5nc6ccccc6s5	9562
+c1(c(OC)c(ccc1)CNCCCC)OC	162
+C(c1ccc(Cl)c2nc(Nc3ccc(cc3C)C(=O)N)n(c12)CCCO)(=O)OC	3023
+n1c(cc(c(Nc2nc3c(Cl)ccc(C(=O)OC)c3n2CCCO)c1)C)OC	3023
+C(CCCCCCCCCCN1C(=S)NN=N1)(=O)O	9563
+c1(ccccc1COc2cc([N+]([O-])=O)c(c(C)c2)NC(C)=O)C(OC)=O	22
+c1c(N)cc(NC(C=C(OC)C)=O)cc1	0
+c12C(=O)C(Nc1c(Cl)cc(c2)F)=O	4834
+C1(=O)c2c(NC1=O)c(c(Cl)cc2)C	1418
+N(c1cc(C)ccc1N)C(CCC)CC(OCC)=O	0
+c1cc(ccc1C2C3=C(C(NC(=O)O3)=O)CC2)F	9564
+c1cc(ccc1C#N)C2C=3OC(=O)NC(=O)C=3COC2	9565
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CN3OC(=O)NC3=O	4771
+N(C(c1cc(C(=O)O)ncn1)=O)Cc2cc(c(cc2)F)C	1
+NNC(C(NC(c1sccc1)=O)C)=O	743
+c1cc(ccc1CC(Nc2ccc(cc2Cl)N(Cc3ccc(Cl)s3)C)=O)Cl	26
+N(C)C(COc1cc(C#N)ccc1CNC(=O)c2cc([N+]([O-])=O)c(c(Cl)c2)F)=O	14
+N(C)C(COc1cc(C#N)ccc1CNC(=O)c2cc(N)c(c(Cl)c2)F)=O	0
+c1cc(ccc1NS(=O)(=O)C)CC(=O)N(C(COc2c(C)c(C)ccc2)C)C	10
+C(=O)(c1ccccc1Nc2ccc3c(c2)n(C4CCCCO4)nc3C(NC)=O)O	1
+c1cc(ccc1CNC(=O)C=2C(=O)c3c(c(c(CN(C)CC(O)c4c[nH]c5c4cccc5)s3)C)N(C)C=2)Cl	822
+O=S(=O)(c1sccc1)N(c2cc3c4c([nH]c3cc2)nccc4Cl)C	9566
+CN(c1nc(Cl)ncc1)c2cc3c[nH]nc3cc2	860
+CN(c1cc(C)ccc1)c2nc(N)nc(C#N)n2	3036
+O=S(=O)(NC1C2C(OC1)C(CO2)Nc3c(Cl)cnc(n3)Nc4cn(C)nc4)C	111
+O=C(C(=NOCC(OCC)=O)c1csc(N)n1)NC2C(N3C2SCC=C3C(=O)O)=O	999
+S(CC1=C(N2C(=O)C(NC(=O)C(=NOCC)c3csc(N)n3)C2SC1)C(=O)O)c4scnn4	999
+O=C(C(=NOCCCC)c1csc(N)n1)NC2C(=O)N3C2SCC(Cl)=C3C(=O)O	999
+C(OCCON=C(C(=O)NC1C(N2C1SCC=C2C(=O)O)=O)c3csc(N)n3)C	999
+C(ON=C(C(=O)NC1C(N2C1SCC=C2C(=O)O)=O)c3csc(N)n3)c4ccon4	999
+N(=C(C(=O)O)c1csc(NC=O)n1)OCc2ccon2	9567
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(=O)C(=NOCC(=O)OCC)c4nc(NC=O)sc4)=O	471
+O(C(=O)CCCCC(=O)N(CCCCCCC)CC)C	58
+N1c2cccc(Cl)c2N(CCCO)C1=O	9568
+N(C(=S)Nc1cnc(cc1C)OC)c2c(NCCCO)c(C(=O)OC)ccc2Cl	9569
+N(CCCO)c1c(Cl)cccc1N	0
+O(C)CCCn1c(NC(c2cc(ccc2)C#N)=O)nc3c1c(C(OC)=O)ccc3	9570
+N(CCCOC)c1c(C(=O)OC)cccc1N	0
+CCCCCCCCCCCC(=O)NCCN=[N+]=[N-]	9571
+n1(CCO)cnc2cccc(Br)c12	1449
+N(CCO)c1c(Br)cccc1N	0
+N(c1c(Cl)c(F)ccc1N)CCO	0
+O(CCN=[N+]=[N-])CCOCCOCCN	18
+NCc1c2c(ccc1)cccn2	18
+c1c(c(-c2nnsc2)ccc1)CN	18
+c1cncc(CNc2c3nc(ccc3ccc2)-c4cnccc4)c1	4835
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(=O)N(Cc3nc4CCOCc4c(O)n3)Cc5sccc5	10
+c1ncncc1-c2onc(-c3cnncc3)n2	9572
+c1c(C)c(cnc1)-c2c3c(ncc2)c(no3)N	9573
+c1cc(ccc1)N(c2c3n(ccn3)nc(c2)-c4cc5c(noc5cc4)N)Cc6ccc(cc6)OC	2134
+c1(cc(ccc1)F)-c2cc(nc(n2)C)C=3NOC(=O)N=3	1988
+CCc1cc(cnc1CC)-c2nc(no2)-c3cc(C)c(c(CC)c3)O	1828
+c1(-c2noc(n2)C)cc(N)c(C)cc1	9574
+c1c(-c2noc(-c3ccc(c(OCC)c3)OCC)n2)c4cc[nH]c4cc1	529
+c1cc(ccc1C2CN(CC(C2)c3onc(-c4cnccn4)n3)C(=O)N5CCC(CC5)O)CC	4536
+Nc1c(cc(Br)cn1)C(=O)N(OC)C	1012
+Nc1ccc(cc1C(N(OC)C)=O)F	280
+O1CCCn2c1c(C(=O)N(OC)C)cn2	9575
+O=S(=O)(N(C)C)n1ccc(C(N(OC)C)=O)n1	9576
+O=S(=O)(N(C)c1cccc2c1[nH]c(C=3SC(CC(N(OC)C)=O)CN=3)c2)c4cccs4	164
+O=S(=O)(N)c1cc(ccc1C)C(N(C)OC)=O	280
+c1ccccc1C(=O)N2CC(N(S(=O)(=O)c3ccc(s3)C(N(C)OC)=O)CC2)C	4836
+c1c2c(ccc1OC)cc(cn2)C(N(OC)C)=O	1012
+c12occc1cc(cc2)C(N(OC)C)=O	2276
+c1(c(Br)cccc1N2N=C(C(N(OC)C)=O)C(=O)C(=C2)OC)F	2101
+c1(c(F)c(ccc1)C(N(OC)C)=O)F	280
+c1(c(cc(CC(N(OC)C)=O)cc1)Cl)Cl	164
+c1(N)nc(ccc1C(N(OC)C)=O)Cl	1012
+c1(c(cccc1C)C(N(OC)C)=O)Cl	280
+c1(c2c(ccc1)ccnc2)C(N(OC)C)=O	9577
+c1(cc(C=CC(=O)N(OC)C)ccc1)Br	3223
+c1([N+]([O-])=O)ccc(c(F)c1)C(N(OC)C)=O	280
+c1(ccc(cc1Cl)C(C(N(C)OC)=O)CC=C)Cl	164
+c1(C)c(F)c(ccc1)C(N(OC)C)=O	280
+Clc1c(F)c(ccc1)C(N(OC)C)=O	280
+O(N(C)C(c1cccnc1F)=O)C	9578
+c12c3c(cccc3)ncc1nc(CCC)n2CCCC(=O)N(OC)C	978
+c12cc(C(N(OC)C)=O)[nH]c1cccc2Cl	1006
+c1c(Br)c(ccc1)OC(CCC)C(=O)N(C)OC	1080
+c1c(F)c(c(cc1)F)-c2c3c4CCC(C(N(C)OC)=O)Cc4[nH]c3c(C(=O)N)cc2	164
+c1c(c(cc(c1)C(N(OC)C)=O)C#N)OC	280
+c1c(c(ccc1C(N(OC)C)=O)-n2cc(nc2)C)OC	280
+c1c(cc(C)c(c1)C(N(OC)C)=O)Br	2276
+CN(OC)C(=O)c1cc2nccnc2cc1	280
+c1c(cnc(C(N(OC)C)=O)c1F)F	1006
+c1c2c(cccc2)c(c(C)c1)CC(N(OC)C)=O	164
+c1cc(C=CC(=O)N(OC)C)ncc1Br	9579
+c1cc(N2N=C(C(N(OC)C)=O)C(=O)C(=C2)OC)c(F)cc1I	2264
+c1cc(cc(c1)F)-n2c(c(c3ccccc23)C#N)C(N(C)OC)=O	1006
+c1cc(ccc1)-c2c(N)nc3ccc(cn23)C(N(C)OC)=O	1012
+c1cc(ccc1)CN(C)CC(N(OC)C)=O	164
+c1cc(ccc1)CN2CC(C(=O)N(C)OC)CCC2	164
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(N(OC)C)=O	4243
+C1CN(CCC1C(N(OC)C)=O)C(=O)OCc2ccccc2	164
+c1cc(ccc1-c2cc(-c3n(c(cc3C)C(=O)N(C)OC)C)ccc2OC)S(=O)(=O)N	1006
+c1cc(ccc1C(=O)C2CCC(CC2)C(N(OC)C)=O)Cl	164
+c1cc(ccc1C(=O)N(OC)C)Br	2276
+c1cc(ccc1F)C(N(OC)C)=O	2276
+c1cc(ccc1C(N2C(CC(C(=O)N(C)OC)C2)=O)C)OC	164
+c1cc(ccc1N2C(C(CCC(N(C)OC)=O)C2c3ccc(cc3)OCc4ccccc4)=O)F	164
+c1cc(ccc1F)N2C(NC=C2C(=O)N(OC)C)=S	9580
+c1cc(ccc1OC)CN2CCCC(C(=O)N(C)OC)C2	978
+c1ccc(c(C)c1)C(CC(N(OC)C)=O)c2cccc(c2)Br	164
+c1cc(ccc1CC(c2ccccc2)C(N(C)OC)=O)Cl	164
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COCC(N(OC)C)=O)c4	164
+c1cc(ccc1)CC(C(N(C)OC)=O)NC(OCC)=O	164
+c1ccccc1CN2CC(c3cc(c(cc3)Cl)Cl)C(C2)C(N(C)OC)=O	164
+c1ccccc1COc2cc(F)c(cc2)N3C=C(OC)C(C(C(N(C)OC)=O)=N3)=O	2264
+c1ccccc1COc2ccsc2C(N(C)OC)=O	4836
+c1ccccc1Cc2nnc(N3CCN(C(C)C3)c4cnc(cn4)C(N(OC)C)=O)c(c2C)C	3271
+c1cc(ccc1)Nc2cc(ccc2C(=O)N(OC)C)Cl	280
+C(N(C)OC)(=O)c1[nH]nc2ccccc12	4797
+n1ccnn1-c2c(cccc2)C(=O)N3CC(C(=O)N(OC)C)CCC3C	164
+N(c1c(C(N)=O)ncc(NC(C)C(N)=O)n1)c2cc3c(nc2)cccc3	1198
+c1cc(ccc1F)C(=O)C2CCN(CC2)CCCCN3C(c4c(NC3=S)cc([N+]([O-])=O)cc4)=O	9581
+n1(c2c(Cl)c(F)ccc2nc1)CCO	1449
+c1c(I)cc(c(Nc2c(F)c3nnsc3cc2C(=O)OC)c1)F	235
+C(c1cc(Cl)c(nc1-c2cc(F)ccc2)N)(=O)OC	9582
+Nc1c(C)cccc1C(=O)C	106
+N(CCc1cc2c(OCO2)cc1)c3c4c(nc(-n5ccnc5C)n3)sc(C)c4C	937
+N1(c2cc(C)ccc2NC1=O)C(CCC)CC(OCC)=O	1019
+c1cc(ccc1C#N)C(NNC(=O)C(Nc2cc(c(C#N)cc2)Cl)C(C)O)=O	708
+C(CN)NC(=S)Nc1c(c2c(ocn2)cc1)C	1167
+c1cc(NC(N2Cc3c(cccc3)CC2CCO)=S)c4c(cnc(c4)COC)c1	1366
+N(c1ccc(C(O)=O)nc1)C(=O)C2CCCN(c3nc(c4ncsc4n3)Nc5ccc(OC)c(c5)OC)C2	1
+c1cc2n3c(C)nnc3c(Cl)nc2cc1	2958
+C1(N(Cc2c(F)cccc2)C(=O)C=C(Cl)N1CCCC)=O	1819
+N1(C(=O)C(c2cc(O)ccc2)(NC1=S)c3cc(c(cc3)F)Br)C	5
+O=S(=O)(Oc1cccc(C2(NC(=S)N(C2=O)C)c3cc(c(cc3)F)Br)c1)C	444
+n1n2CCNCc2cc1NC=3C(N(C=C(Br)C=3)C)=O	526
+N1(C(=O)C)Cc2n(nc(N)c2)CC1	161
+N1(C(=O)C)c2cc(C)cc(C)c2C(C1)CCO	59
+N1(C(=O)C=C(C=C1C)OCc2ccc(cc2F)F)c3c(C)ccc(C(=O)O)c3	1
+c1c(ccc(COC2=C(C(N(C(=C2)C)c3c(C)cnc(c3)C(=O)OC)=O)Cl)c1F)F	4837
+C1(c2cc(F)ccc2)=CN(C(=O)C=C1)CCO	2243
+c1ccccc1COC(Nc2ccc(N3CCN(C(=O)C3)CCOC)c(F)c2)=O	90
+N1(C(=O)CN(c2ccc(N)cc2F)CC1)CCOC	0
+C=1(C(=O)N(C(=O)N(C=1C)CCCC)C)[N+]([O-])=O	2429
+C=C(C)CN1C(=O)N(C(C(N)=C1N)=O)C	3088
+C=C(C)CN1C(N)=C(N=O)C(=O)N(C1=O)C	863
+C(CN1C(c2c(c(sc2N(C)C1=O)-c3cc(c(cc3)Cl)Cl)C)=O)CO	268
+c1cc(ccc1-c2c(cc(c(OCC)c2)C(OC)=O)Br)F	2606
+c1cc(ccc1F)-c2c(cc(c(O)c2F)C=O)Br	2606
+N1(C(C(OC)=O)Cc2ccccc12)c3nnc(cc3)O	3028
+c1cc(ccc1)CN2C(C=CC(N3c4ccccc4CC3C(=O)OC)=N2)=O	9583
+C(C(=O)O)N1C(C(=C(O)C=C1C)[N+](=O)[O-])=O	9584
+C(C)(c1[nH]c2ccccc2n1)N3C(NC(=O)C(=C3N)N)=S	3088
+c1c(OC)ccc(CN2C(=O)C3C(C2)(C(O)=O)C3)c1OC	2154
+C1C(N(C(C=O)C1)CCCCCl)=O	24
+N1(C(Nc2c(ccc(O)c2)CC1)=O)C	5
+c1cc(ccc1OC)NCCN2C=Cc3ccc(C(OC)=O)cc3C2=O	291
+N1(C)C=C(C=C(C1=O)Nc2nn3CCOCc3c2)c4ccnc(c4CO)N5C(c6n(c7CCCCc7c6)CC5)=O	59
+N1(C)CCN(c2c(cc3nc(-c4c(N)cn(C5CCCCO5)n4)[nH]c3c2)F)CCC1	209
+C1N(c2cc(N)c(cc2F)N)CCCN(C1)C	0
+C1CNCCc2ccc(c3c2n1c4CCCc34)F	2217
+c1c(cc(c(NC2=CC(=O)N(C)C=C2C(=O)O)c1)F)Br	9585
+c1(cnc(F)c(c1)C)C2=CN(CC)C(=O)c3cc(OC)c(cc23)OC	3894
+N1(C=CC=C(C1=O)C(=O)NC(c2sccc2)CC(O)=O)Cc3ccc(F)c(F)c3	4748
+N1(CC(F)CC1C(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(=O)Cn4nc(c5c4CCCC5)C(O)=O	6
+OC(CNC)c1ccco1	2875
+c1cc(ccc1F)Nc2c3c(cc(OC)c(OCCCN4CC5C(C(OCC5)=O)C4)c3)ncn2	72
+C=1CN(c2c(cccc2C=1C)CSc3nc4ccccc4[nH]3)C	3089
+c1cccc2CCc3ccncc3C(NC(NNc4c(cc(cn4)C(=O)NC5C(=O)N(CC5)C)Cl)=S)c12	4784
+C1CC(CCN1C)NCCOC	15
+C(CCCN1c2ccccc2C(NC1=O)=O)O	21
+O=S(=O)(N)c1cc(c(cc1C(C)C)C#N)C(C)C	3057
+C1CC(C(c2cc3c(cc2)n(cc3Cc4c(cc(cc4)C(=O)OC)OC)C)O)C(=O)N1C	9586
+c1(cc2C(C3=C(Oc2cc1)CCCC3)=O)C#N	3057
+N1(CCCC1=O)CCCNC(CCC(=O)O)=O	4
+s1c2c(nccc2Cl)cc1-c3ccc(CCN4CCCC4=O)cn3	4838
+N1(CCCC1=O)CCn2ncc(N)c2	209
+N1(CCCC1=O)c2cccnc2N	161
+N1(CCN(CCC(=O)O)C(=O)C1C)C(C=Cc2cc(Cl)c(F)cc2)=O	4052
+c1cc(ccc1)Oc2nnc(N3CCN(C(C)C3)c4ncc(nc4)C(=O)OC)c(C)c2C	1119
+c12c(ccn1CC)cc(cc2)N3C(N(c4cccnc4)CC3)=O	2626
+C(CN1C(CN(CC1)CCc2ccc3c(COC3=O)c2)=O)c4cc5c(cc4)C(OC5)=O	1508
+c12c(cccc1)n(c(N3CCN(CCC3)C)n2)CCOCC	2071
+N1(C)CCN(c2cc(N)c([N+]([O-])=O)cc2F)CCC1	34
+c1cc(ccc1CN2CCCN(C)CC2)C(Nc3cc(ccc3C)Nc4nc(-c5cccnc5)ccn4)=O	171
+N1(CCOC(C1)C(Nc2c3c[nH]nc3cc(-c4c5cc[nH]c5ccc4)c2)=O)C(=O)C	33
+O=S(=O)(C)NCC(Nc1c(Cl)cnc(Nc2cc3c(cc2)CCN(CC3)CCOC)n1)C	55
+N1(Cc2c(C1=O)ccc(N)c2)CC	0
+C(c1cccc(F)c1)C(CNC)N2Cc3c(ccc(-c4n(C)ncc4Cl)c3)C2=O	110
+N1(N=C(C(=O)c2cccnc12)C(=O)O)c3cccc(c3)Br	3
+c12C(NC(=O)N(c1ncn2CC(CO)O)C)=O	871
+c1cc(ccc1OCc2cc3c(nc2)N(c4nc(Cl)ccc4N(C)C3=O)CC)O	751
+CCN1c2nc(F)ccc2N(C)C(c3c1ncc(c3)CCOc4ccnc5ccccc45)=O	1175
+s1cc2c(C(SC)=Nc3ccccc3N2C)c1	9587
+c12c(F)cccc1CC(=O)N2C	1562
+c1c(cc(Cl)c(c1)CC(c2cc3N(C(COc3cc2)=O)C)=O)Br	3090
+N1(c2c(C(Nc3ccccc13)=S)csc2)C	9588
+N1(c2cc(cc(c2)-n3nnnc3)C(=O)O)C(C=C(C=C1)C)=O	1
+N1(c2cc3c(cccc3)nc2)C(NC(=O)C(N)=C1N)=S	721
+C1(c2c(N(C(N1)=S)c3cc4c(cccc4)nc3)[nH]cn2)=O	2725
+C1(=O)c2ccccc2C(=O)N1CC3N(c4c(c(c(C)cc4)COc5c6nc(C)ccc6ccc5)C)CCC3	332
+N1(c2ccc(F)cc2F)c3c(C#C)c(F)c(cc3C(C(C(=O)O)=C1)=O)F	108
+C(N1c2ccccc2N=C(C(O)=O)C1=O)COC=O	9589
+CCN1c2c(NC(c3cc(CCOc4ccnc5ccccc45)cnc13)=O)c(cc(Cl)n2)C	1175
+N1(c2ncc(CCOc3cccc4ncccc34)cc2C(Nc5c1nc(cc5C)Cl)=O)CC	1520
+c1cc(ccc1-c2oc(c(C(OCC)=O)c2)C)OCCc3cc4C(=O)N(C)c5cccnc5N(c4nc3)CC	20
+c12c3CC(C)N1C=C(C(=O)O)C(=O)c2c(c(c3F)F)[N+](=O)[O-]	31
+COc1cc2c(C=3N(C(NC(=Nc4cc([N+]([O-])=O)ccc4)C=3)=O)CC2)cc1	9590
+c1c(N)cc(C2=NN3C(=NN(C)C3=O)C=C2C)cc1	0
+c1cc(ccc1CN2C(=O)N(c3nc(C)c(C(OCC)=O)s3)C=N2)F	1712
+N1=NN(c2c(Cl)ccc(c2Cl)C(=O)O)C(=O)N1C	1
+N1=NN(c2c(CO)c(C)ccc2)C(=O)N1C	1555
+c1c(c(c(OC)cc1)COc2n(nc(-c3c(cccc3)Cl)c2)C)N4N=NN(C4=O)C	9591
+c1cc(c(C)cc1Br)OCc2c(cccc2N3N=NN(C)C3=O)OC	22
+c1cc(ccc1)-n2nc(cc2)OCc3c(OCC)cccc3N4N=NN(C)C4=O	9592
+C1=2COc3cc(ccc3N1C(C)C(NN=2)=O)-c4ccccc4F	11
+N1C(=O)C(C)N2c3c(SCC2=N1)ccc(N)c3	0
+N1C(=O)C(CCCC1)Nc2cc(c(cc2)C(=O)N)Nc3cc(C)ns3	216
+c1([nH]cc2c1CCNC2=O)C=C3c4c(NC3=O)cccc4CCO	292
+c1c2c(SCCNC2)ccc1	162
+c1(cnc2ccc(cc2c1F)Sc3nnc4c(cc(cn34)-c5cnn(C)c5)F)-c6cnn(c6)C	4839
+O1CC2N(c3cnc4ccc(Sc5n6c(c(cc(-c7cnn(C)c7)c6)F)nn5)cc4c13)CCC2	4839
+c1c(cnc2ccccc12)CSc3nc(cc(n3)C)O	9593
+S1C(NC(C1=Cc2cc3c(cc2)nc(o3)C)=O)=S	1149
+N1C(C)(C(COCC1=N)F)c2c(F)ccc(N)c2	0
+O=S(=O)(C)N1CC(C)NCC1	112
+N1CCN(Cc2cc(ccc2)Br)CC1C	48
+C1CN(CC(C)N1)c2nnc(c(C)c2C)Cl	212
+C1CN(CC(C)N1)c2nccnc2Cl	317
+c1cc(ccc1C(OC)=O)N2CCNC(C)C2	34
+c1cc(ccc1N2CCNC(C)C2)C=O	34
+CC(C)c1nc(N2CCNC(C)C2)c(C#N)c(-c3ccccc3)c1	43
+c1ccccc1Cc2c3c(cccc3)c(nn2)N4CC(NCC4)C	212
+c1(C)cc(Br)cnc1N2CC(C)NCC2	323
+C1CN(c2ccc3c(n2)cccc3)CC(C)N1	286
+C12(NC(C3CC(CC3C(N(CCCCC=CC1C2)C)=O)OCOCC)=O)C(O)=O	3
+Cc1n-2c(CN=C(c3c([N+]([O-])=O)cccc3)c4ccsc-24)nn1	9594
+C(CN(C)CCCCCC1C2C(NC(N2)=O)CS1)CCCC(=O)OC	15
+C1(c2c(CN1)cc(F)c(F)c2)=O	4840
+c1ccccc1C(=O)SCCC(N2C(SCC2C(=O)O)c3ccccc3O)=O	9595
+Nc1cccc2OCC(Nc12)(c3ncccc3)C(=O)N	0
+c12CCC(OC)c1ncnc2O	3597
+C1(Nc2c(C(=O)N)cnn3cc(-c4cnc(cc4)CNC(=O)COC)cc23)CN(c5sc(cn5)C#N)CC1CC	2643
+O=C1c2cc(c(cc2N(C=C1C(O)=O)CC)N3CCNC(COCCCCCCCCCCCC)C3)F	34
+n1cccnc1CNC(=O)c2cnc(nc2NCc3ccc(c(c3)Cl)OC)N4CCC5(C4)CN(CCC5)C	9596
+C1CC2(CN(CC)CC2)CN1c3cc(c(c([N+]([O-])=O)c3)N)C	560
+c1cc(ccc1CCN2CC3C(C(CC3)NC(=O)Nc4cc(cc(CC)c4)-c5n(nnn5)C)C2)F	236
+C1N(C(=O)CC)CC(c2c(OC)cccc2)C1	2781
+c1(ccc(cc1Br)NC2C(NCCCC2)=O)C#N	2002
+Cc1cc(n[nH]1)Nc2c(cnc(Nc3c(C)cc(c(c3)C)C4NCCCC4)n2)Cl	55
+c12c(CCOC1CCN3CCN(CC3C)c4cccc5cc(C#N)ccc45)cc(-c6cnccc6)cc2	123
+c1ccccc1COC(N2C(C)CN(Cc3cc(Br)ccc3)CC2)=O	66
+c1nc(c2n1-c3c(c(ccc3)CCN4CCN(c5c6c(cc(c5)F)nc(C)cc6)CC4C)OC2)C(=O)OCC	61
+C1CC12CNCCN(C2)c3c(cnn3C)[N+]([O-])=O	959
+c1cc(ccc1Br)OC(N2CCc3c(O)nc(nc3C2)C)=O	66
+c1c(C)ccc(N2CCc3c(c(ncn3)O)C2)n1	43
+c1ccccc1C(=O)N2CCc3nnc(Cl)cc3C2	115
+c12ccc(N)cc1CCN(C2)C(=O)COc3cccnc3	10
+c1(C(=O)c2cc(Cl)nc(n2)C)cc(C)c3NC(Oc3c1)=O	9597
+CCOC=C1c2c(NC1=O)ncc(Br)c2	4841
+c1cc(ccc1)-c2cnc3NC(=O)Cc3c2	89
+n1c2CCc3c(c(F)cc(Br)c3)-n2c(C)n1	1447
+c12c(cc(Br)c(Cl)c1)CCC(=S)N2	199
+c1c(C(Nc2cccc(Br)c2C)=O)c(N)c(Cl)cc1	1768
+n1c2CCNc3c(c(F)ccc3)-n2c(C)n1	1447
+S(Cc1nccc2OCOc12)c3[nH]c4cc(C(=O)C)c(C)cc4n3	602
+S(c1[nH]c2cc(-n3ccnc3)c(cc2n1)F)Cc4cc(OC)ccn4	602
+N1c2cc(c(OC)cc2CCC1=O)CC=O	1156
+OC1c2ccccc2NC(CCC1)=O	74
+NC(N)=Nc1nc(-c2cccc(CSc3[nH]c4ccccc4n3)n2)cs1	602
+O(C)CCCCOc1cc(CSc2nc3ccccc3[nH]2)ncc1	602
+C1COC(O1)(CCC)CCOc2ccnc(CSc3nc4ccccc4[nH]3)c2C	3944
+c1(nccc(c1C)SCc2ccco2)CSc3nc4ccccc4[nH]3	602
+c12N(C3CN(CCC3C)c4ccnc(Cl)n4)C(Nc1cnc5[nH]ccc25)=O	54
+O=S(=O)(C)c1ccc(c(C)c1OCCOC)C(C2C=NN(C2=O)C)=O	1769
+O=S(=O)(c1c(NCC=C)c(c(cc1)C(C2C=NN(C)C2=O)=O)C)C	1769
+O=S(=O)(C)c1ccc(c(c1-c2ccon2)C)C(=O)C3C(=O)N(N=C3)CC	4842
+O=S(=O)(C)c1ccc(C(C2C=NN(C2=O)CC)=O)c(C)c1OCCOC	1769
+O=S(=O)(c1ccc(c(C)c1C=2CCON=2)C(C3C(=O)N(N=C3)CC)=O)C	4842
+O=S1(=O)c2c(cc(c(C)c2C(=O)C(C)(C)C1)C(C3C=NN(C3=O)CC)=O)C	1769
+O=S1(=O)c2c(C)cc(c(C)c2C(CC1)C)C(=O)C3C=NN(CC)C3=O	1769
+N1=NN(c2c(C)c([N+]([O-])=O)ccc2)C(=O)N1C	3091
+N1=NN(c2cccc(I)c2C)C(=O)N1C	3091
+c1cc(ccc1C=CC=2N(C)C(=O)c3c(cccc3)N=2)C	2066
+c1(noc(n1)Cc2ccccc2C)C(=O)OCC	3540
+n1nc(C2CCCO2)nc(O)c1C(NC(C)=O)CC	9598
+Cc1nc(CCCC)nc(c1CC)O	3492
+c1cc(ccc1CC(F)F)C2CN(CC(c3nc(CCOC)no3)C2)C(C)=O	1166
+c1cc(ccc1C2CN(C(N3CCSCC3)=O)CC(c4nc(CCOCC)no4)C2)CC	1166
+c1cc(ccc1C(N2c3c(cccc3)-c4c(cnc(C)n4)CC2)=O)[N+]([O-])=O	9599
+c1ccccc1CN2Cc3nc(C)nc(O)c3CC2	3490
+c1ccccc1CN2CC3CC(C2)c4nc(C)ncc34	9600
+c1cc(ccc1-c2ccccc2C#N)Cc3c(nc(nc3O)CC)CCC	3945
+c1cc(ccc1C=Cc2nnc([nH]2)N)Cl	9601
+n1c(c(nc(-c2cnc(cc2)Cl)n1)O)C(C)NC(C)=O	9602
+c1(C)nc(on1)-c2cc(OCOC)c(C)cc2	4446
+c1ccccc1SCc2onc(n2)C	9603
+O=S(=O)(c1cnc(cc1)OCCC2C(C3CCN(CC3)c4onc(n4)COC)C2)C	880
+c1cc(ccc1Cl)C2NC(=NC2CC3CCCC3)c4ccc(OC)cc4OCC	9604
+C(=N)(NCCCCN)N	9605
+c1cc(ccc1)COC(=O)N2CCc3c(nc(nc3O)SC)C2	9606
+c1(-c2nc(on2)-c3cccc(Br)c3)cnccc1	9607
+N(c1ccc2c(CCCN2CCCN(CCO)C)c1)C(c3sccc3)=N	1139
+O=C(OC)c1c(cccc1CNC(=O)N)C(OC)=O	2277
+OCC(CO)(C(=O)O)c1cc(-c2[nH]c3cc(ccc3n2)C(=N)N)c(c(-c4c(O)ccc(CNC(=O)N)c4)c1)O	2277
+C(N)(Nc1cccc(Cc2n(CC)ccc2)c1)=O	2278
+C(N)(Nc1cc(I)ccc1)=O	2278
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5cc(CNC(N)=O)ccc5-c4n3)c1F)F	2277
+Ic1c(NC(=O)N)cccc1	2278
+c1cc(ccc1C(C)C)C2=NC(=O)N(Cc3cccc([N+](=O)[O-])c3)c4ccc(cc24)OCC#C	9608
+Oc1ccccc1NC(=O)N	2278
+c1cc(ccc1)C(NC(N)=O)COC(F)F	2277
+CC1(C)C(OC(C)(C)O1)c2nsc(n2)Nc3c(Oc4n(ncc4)CC)cc(Sc5ccccn5)cn3	9609
+c1c(ccc2c(ncnc12)O)F	9610
+c1n(c2nc(ccc2n1)Br)-c3ccnc(Cl)c3	9611
+c12c(ncnc1cc(OCCOC)c(OC)c2)O	3529
+c1(ncnc2COC(C)c12)O	9612
+c1([nH]c2c(cccc2)n1)CN3c4c(C(NC3=S)=O)nc[nH]4	3337
+c1cc(ccc1)CN2CCc3c(CC2)ncnc3O	9613
+c1ccccc1Nc2c(c3c(cc2C(=O)OC)[nH]cn3)Cl	9614
+c1cc(ccc1-c2ccccc2C#N)Cc3c(ncnc3CCC)O	9615
+C1CC1c2[nH]nc(c2)-n3c4c(cc(F)c(c4F)NC(C)c5ccc(cc5)F)nc3	9616
+C1CC1c2n[nH]c(-n3cnc4cnc(cc34)NC(c5ccc(cc5)F)C)c2	9617
+c1ccccc1CN2Cc3ncnc(O)c3CC2	9618
+Nc1c(Br)csc1C(=O)NC	227
+c1cc(ccc1C=2N(C)C(=O)c3ncc(Br)cc3N=2)OCCCN4CCCC(C4)C	9619
+c1(N)c(NC)ccc([N+]([O-])=O)c1	60
+Nc1c([N+]([O-])=O)cc(-c2ccc(c(NC)c2)[N+]([O-])=O)cc1	60
+Nc1c(cc(C(NC)=O)cc1)OC	14
+Nc1c(cnc(NC)n1)[N+](=O)[O-]	96
+Nc1ncc(Br)nc1C(=O)NC	2476
+Nc1ncc(CCC(=O)NC)nc1Br	9
+Nc1sc(nn1)-c2ccnc(NC)c2	70
+c1(C(=O)NC)c2ccccc2n(C)c1	1650
+C1CC(CCN1CCP(OCC)(OCC)=O)NC	87
+O(c1c(C(=O)NC)cc(Br)cn1)C	56
+c1nc(ncc1C=2N(C)C(c3ccnc(OC)c3N=2)=O)OC4CCN(CC4)C5CCC5	9620
+O(c1cc2cccnc2cc1)c3cc(NC)ncn3	40
+O(c1ccn2c(c1)nc(C)c2C(=O)NC)C	312
+O1CCC(c2c1cccn2)NC	2049
+C1CC2(OCCO2)CCC1NC	87
+C(=O)(c1cc(c(cc1F)F)N)NC	14
+c1(c(cccc1)C(=O)NC)I	14
+c1(cc(c(Cl)cc1)Cl)Oc2ccc(cc2CNC)Br	42
+c1[nH]c2c(ccc(C)c2)c1CNC	249
+CNCc1n(c2c(cccc2C)c1)C	294
+O=Cc1cc2cc(OC)ccc2nc1NC	554
+s1c(C(=O)OC)ccc1CNC	1466
+CNCc1ccc2c(n1)NC(=O)CS2	294
+c1c(c2[nH]ccc2cc1)CNC	249
+CNCc1ncccc1	294
+O=S(=O)(C)N(C)c1c(cc2c(C(NC)=O)c(oc2c1)C3=CCCC3)Br	1036
+c1c(CNC)ncnc1Oc2ccc3[nH]c(C)cc3c2F	9621
+O=S(=O)(C)c1c(ccc(Br)c1)CNC	370
+O=S(=O)(C)c1cc2c(CCC(O2)CNC)cc1	463
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c([nH]c(C=4SC(CC(NC)=O)CN=4)c3)c(c2)C	9
+O=S(=O)(C)c1cc(ccn1)C(NC(c2cncc3c2cnn3-c4ccc(cc4)F)=O)CC(=O)NC	248
+O=S(=O)(CCNC)c1cc2c(cc1)nc(s2)NC(=O)NC(=O)c3ccccc3Cl	4353
+O=S(=O)(NC)CCCCCl	111
+O=S(=O)(c1cc(C#N)cc([N+](=O)[O-])c1)NC	71
+O=S(=O)(NC)c1ccc(O)c(C(=O)O)c1	71
+O=S(=O)(c1ccc(c(C)c1)Br)NC	71
+O=S(=O)(NC)c1ccc2c(c1)c3ccccc3s2	71
+O=S(=O)(c1c(C)nc(NC)s1)N	4843
+CCOC(C1C(C1)CNC)=O	285
+CNCCC#Cc1cccc(CF)n1	9622
+Fc1cc(cc(F)c1)OCCNC	285
+O=S(=O)(Oc1ccc2c(OC(CNC)CO2)c1)C	463
+O=S(=O)(c1c(F)ccc([N+]([O-])=O)c1)NC	71
+O=S(=O)(c1c(OC)ccc(Br)c1)Nc2cc(C(NC)=O)cnc2	1650
+c1cc(ccc1)-c2cc(CNC)cn2S(=O)(=O)c3cccc(c3)C(=O)OC	249
+O=S(=O)(c1ccc(F)c([N+](=O)[O-])c1)NC	71
+c1cc(ccc1S(=O)(=O)NC)Br	71
+O=S(=O)(c1ccc(cc1)N)Nc2cc(Br)nc(NC)c2	340
+O=S(=O)(NC)c1cccc(Br)c1	71
+O=S(=O)(n1cc(CNC)c2cnc(Br)cc12)c3cc(F)ccc3	249
+O=S(=O)(n1cc(CNC)cc1Br)c2ccccc2	249
+O=S(=O)(c1cnccc1)n2cc(CNC)c3ccc(C(OC)=O)cc23	249
+BrC=1C(N(C)c2nc(ncc2C=1)NC)=O	435
+O=S(=O)(n1cc(c(F)c1-c2ccccc2)CNC)c3cnccc3	249
+O=S(=O)(c1ccc(cc1)C)n2c3c(c(c(CCNC)cn3)Cl)cc2	110
+O=S1(=O)N(CCCNC)c2ccccc2N1c3ccc(cc3C)F	132
+OC(CNC)c1cccn1C	284
+CNC(C(=NOC)c1ccccc1O)=O	9623
+S(c1c(C(=O)NC)cc(cc1)C)c2csc3ccccc23	14
+Brc1ncc(c(NC)c1)[N+](=O)[O-]	9624
+[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12	56
+n1n2cc(-c3cc(ccc3)C#N)nc2ccc1NC	232
+OCc1ccc(C)c(NC)n1	70
+Clc1cc(C)nc(NC)c1[N+](=O)[O-]	70
+N(C)Cc1c[nH]c(-c2c(cccc2)F)c1	249
+c1ccc(cc1OCSC)C=NC	853
+C1N(C(c2c1cc(Br)cn2)=O)C	9625
+c1(Cl)cccc(Cl)c1S(=O)(=O)NC	71
+c1(Cl)ccnc(CNC)c1	1279
+c1cc(c(nc1)NC)[N+](=O)[O-]	70
+c1c(NC)c([N+]([O-])=O)c(F)cc1	60
+c1(N2C(CC(C2)C(=O)NC)=O)ccc(c(C)c1)OCc3cccc(F)c3	248
+c1([N+]([O-])=O)cccc(-c2ccc(C)cc2C)c1C(NC)=O	513
+c1c(F)c(NC)nc(c1F)F	182
+c1(c(N)c(C(NC)=O)ccc1)F	14
+c1(c(C(OCC)=O)cnc(Cl)c1[N+](=O)[O-])NC	105
+c1(c2cc([N+]([O-])=O)ccc2[nH]c1)C=3CCC(CC=3)NC	4462
+CNC(=O)c1c[nH]c(c1Cl)C(=O)OC	56
+c1(cc(C#N)c(Cl)cc1NC)[N+]([O-])=O	60
+c1(cc(ccc1Br)OCCCNC)CC	132
+c1cc(c(cc1C(C(C)NC)CC=C)Cl)Cl	87
+c1cc(C(NC)=O)c(nc1Cl)NCC	56
+Nc1cccc2c1ccc(C(NC)=O)n2	658
+c1(ccsc1C)C(=O)NC	2582
+c1(c(C(OCC)=O)cnc(Cl)c1C)NC	105
+CCOC(c1c(NC)cc(Cl)nc1)=O	105
+n1c(-c2cccnc2Cl)ncnc1NC	387
+[nH]1c(nc2c(F)cccc12)NC	3687
+C(C(NC)=O)Cc1c([nH]c2CCCCCc12)C=C3c4c(NC3=O)ccc(Br)c4	9
+c1(c(NC(=O)c2n(-c3c(Cl)cccn3)nc(Cl)c2)c(C(=O)NC)cc(c1)C#N)Cl	1302
+c1(NC)nc(-c2cnccc2)nc3c(C)cc(cc13)Br	40
+c1(c(NC(c2cc(nn2-c3c(Cl)cccc3)Br)=O)c(cc(c1)Cl)Cl)C(=O)NC	1302
+c12c3c(cccc3)ncc1nc(CCC)n2CCC(NC)=O	271
+c12cc(-c3cc(ccc3)[N+]([O-])=O)ccc1c(cn2-c4ncnc(NC)c4)Br	40
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(cc4C)C(NC)=O	93
+N=1c2c(C(=O)N(C=1C)C)cccc2	3434
+c12cnc(NC)cc1nc(C)c(-c3c(F)cc(c(c3)N)F)c2	2791
+C(COc1cc(Br)c(F)cc1)(CNC)O	122
+c1c(cc(CO)c(c1)C(NC)=O)Br	513
+c1c(Br)ccc2c1ccc(C(NC)=O)c2	14
+N(C)CC(NCCc1cc2c(OCO2)cc1)=O	402
+Clc1cc2ncc(n2cc1)-c3cc(Cl)nc(NC)c3	70
+c1c(I)cc(c(Nc2c(ncc3cncn23)C(NC)=O)c1)F	2476
+c1(cc(cc([N+]([O-])=O)c1)S(=O)(=O)NC)[N+]([O-])=O	71
+c1c([N+]([O-])=O)c(NC)cc(c1)O	60
+c1c(cc(C)c(c1)C(NC)=O)Br	14
+c1c(cc(c(F)c1)CNC)Br	370
+c1c(cc(c(c1)[N+]([O-])=O)NC)Br	60
+c1c(cc(cc1Br)C(NC)=O)I	14
+N(C)C(CC1N(C(=O)c2cc3NC(=O)COc3cc2)c4ccc(cc4OC1)Br)=O	9
+c1c(cc2sc(NC)nc2c1)Br	2564
+c1c(ccc(Oc2cc(C(NC)=O)ccc2[N+]([O-])=O)c1F)F	93
+c1c([N+]([O-])=O)cccc1C(NC)=O	93
+c1c(n(-c2cc(NC)ncn2)nc1C)N	40
+c1(Sc2ccc(C)cn2)cc(nn1-c3c(Cl)cccc3)CNC	294
+c1c2c([nH]cc2CCC(NC)=O)ccc1	9
+N(C)C(Nc1ccc(Oc2c3cc(C(=O)NC)c(cc3ncc2)OC)cc1Cl)=O	14
+c1cc(CNC)cc([N+]([O-])=O)c1OC	370
+c1cc(CCNC)c(cc1F)[N+]([O-])=O	132
+c1cc(CN2C(C=3C(=C(N(CCCCNC)C(C=3O)=O)C(=O)OC)CC2)=O)cc(Cl)c1F	284
+c1cc([N+]([O-])=O)c(NC)nc1Cl	70
+c1(cc(ccc1[N+]([O-])=O)F)C(NC)=O	14
+CNC(C(c1c(cccc1)C)=O)=O	9626
+C(C(COc1cccc(Nc2ncnc(Nc3cccc(C)c3)c2)c1)O)NC	122
+c1ccccc1-c2c(nc(SC)nc2)NC	40
+c1ccccc1-c2cc(c(nc2-c3ccc(cc3)CN4CCC(CC4)N5C(=O)Nc6c5cccc6)NC)C#N	70
+c1cc(ccc1)-c2n3nc(C(=O)NC)ccc3nc2-c4ccc(cc4)C5(CCC5)N	81
+c1ccccc1C(n2ccc3ccccc23)CCNC	284
+c1ccccc1C2CC2C=NC	9627
+c1cc(ccc1)CC(C(NC)=O)CCn2c3cccc(C)c3nc2COc4ccc(cc4)Cl	271
+c1cc(ccc1)COC(=O)NC(CCCCCC(NC)=O)c2oc(cn2)-c3cc4c(cccc4)nc3OC	9
+c1cc(ccc1)COC(c2c([nH]c3ccc(CCNC)cc23)C)=O	285
+c1cc(ccc1)COC(N2CCC(CC2)n3ccc4ccc(cc34)C(=O)NC)=O	14
+c1cc(ccc1)N2c3ccccc3CC(CCCNC)C2=O	284
+c1cc(ccc1)Oc2ccc(CNC(c3ccc(nc3N)NC)=O)s2	70
+c1cc(ccc1)S(=O)(=O)n2c(c(c(c2)CNC)C(C)C)Br	249
+c1cc(ccc1-c2oc3c(cc(c(NS(=O)(=O)C)c3)Br)c2C(=O)NC)F	1036
+c1cc(ccc1-c2oc3cc(c(Br)cc3c2C(=O)NC)N(C)S(=O)(=O)c4ccccc4)F	1036
+c1cc(ccc1-c2oc3nc(Cl)c(cc3c2C(NC)=O)Br)F	9628
+c1cc(ccc1Cl)-c2oc3cc(NS(=O)(=O)C)c(C4CC4)cc3c2C(NC)=O	1036
+c1cc(ccc1-c2c(n3cc(ccc3n2)Br)C(NC)=O)F	312
+c1cc(ccc1-c2oc3c(cc(Br)c(N4CCCC4=O)c3)c2C(=O)NC)F	1036
+c1cc(ccc1-n2nnc3cnc(nc23)NC)OC	96
+c1cc(ccc1CCNC(OCC(=O)NC)=O)Br	9629
+c1cc(ccc1C(=C(CC)c2ccc3occc3c2)c4ccc(cc4)O)OCCNC	284
+c1cc(ccc1-c2[nH]c(-c3ccccn3)c(-c4ccc5c(c4)OCO5)n2)C(NC)=O	93
+c1cc(ccc1[N+](=O)[O-])C(NC)=O	93
+c1cc(ccc1CNC)C(=O)c2ccccc2	370
+c1cc(ccc1C(O)CNC)NC(=O)C	132
+c1cc(ccc1Br)C(CC(NC)=O)c2ccc(cc2)Cl	9
+c1cc(ccc1C(Nc2ccc(cc2)CC(N(CC(COc3ccccc3)O)Cc4ccccc4)CO)=O)C(NC)=O	14
+c1cc(ccc1C(OCC)=O)-c2cc(c(cc2)OCCCNC)-c3ccc4C(C)(C)CCC(C)(C)c4c3	1918
+c1cc(ccc1C)-c2c(cccc2)C(Nc3ccc(cc3)C(=O)N(C)c4ccccc4CNC)=O	42
+c1cc(ccc1C2(O)CN(CC2)CCCOc3c(cc(Cl)c(c3)OC)C(=O)NC)Cl	513
+c1cc(ccc1CCCC(NC)=O)N	248
+c1cc(ccc1CCCCCCCCCCCC)S(=O)(=O)Nc2sc(nn2)CCCCCNC	132
+c1cc(ccc1CCNC)-n2c3c(c(C)cc(C)n3)nc2CC	284
+c1cc(ccc1CCNC)-n2c(CC)nc3c2cc(c(C(N)=O)c3)Cl	285
+c1cc(ccc1CCNC)C	463
+c1cc(ccc1CNC)-c2cc(NC(=O)C3(CC3)c4cc5OCOc5cc4)ccc2C	4339
+c1cc(ccc1OC)COc2ccc(CNC)cc2Br	42
+c1cc(ccc1COc2cc(O)c(cc2Cl)C(=O)NC)OC	513
+c1cc(ccc1-n2c(c(Br)nc2CC(=O)NC)-c3c(cccc3F)F)Cl	9
+c1cc(ccc1C2C(c3cc(Cl)ccc3)CC(CC=C)(C(N2C(CNC)CC)=O)C)Cl	110
+c1cc(ccc1F)-c2oc3c(c4c(OC(C)(C)C4)cc3)c2C(=O)NC	1036
+c1cc(ccc1F)-c2oc3c(c2C(NC)=O)c4CC(Oc4c(NS(=O)(=O)C)c3)C	1036
+c1cc(ccc1F)-n2ccc3cc(ccc23)OCCCCNC	132
+c1cc(ccc1C(CC=C)C(=O)NC)F	9
+c1cc(ccc1F)C2c3c(CC2)c(NC)nc(Cl)n3	40
+c1cc(ccc1N2C(C=CN=C2C(C)NC)=O)F	1682
+c1cc(ccc1O)C(c2ccc(c(c2)Br)OCCNC)=C(c3ccccc3)CC	132
+c1cc(ccc1OCc2ccc(cc2)F)OCC(NC)=O	271
+c1cc(ccc1Oc2ccnc(NC)n2)OCc3ccccc3	96
+c1cc(ccc1C(O)=O)S(=O)(=O)NC	71
+N(C)CC1Oc2c(cccc2C1)-c3cc(C)ccc3C	463
+Cc1c(cccc1)-c2cc(F)c3c(c2)CC(CNC)O3	463
+Clc1ccc(Cl)c(c1)-c2cccc3CCC(Oc23)CNC	463
+Cc1c(c(ccc1)-c2c3c(CC(CNC)O3)ccc2)C	463
+c1cc(ccc1CNC)[N+]([O-])=O	370
+c1cc(ccc1[N+]([O-])=O)Oc2cc(ccc2)C(NC)=O	14
+c1(NC)ccc(cn1)C#N	70
+c1ccc2C(C(CNC)CC=C)c3c(cccc3)COc2c1	110
+c1cccc(c1OCCC)-c2nc(cc(n2)O)C(=O)NC	780
+c1cccc2c1snc2NCCNC(c3ccc(cn3)C(NC)=O)=O	56
+c1c2c(ccc1)n(C)c(CNC)c2C	294
+c1ccccc1-c2ncc(c(NC)n2)C(OCC)=O	40
+c1cc(ccc1)-n2c(c(C)c(C(NC)=O)n2)N	81
+c1ccccc1C(c2cc(OC)cc3c2cc[nH]3)CCNC	110
+c1ccccc1CCC(C(=O)NC)N	248
+c1ccccc1COC(NC(C(NC)=O)CC(C)C)=O	9
+c1ccccc1COC(NCC(C(=O)NC)C)=O	248
+c1ccccc1COc2cc3c(cc2)ncc([N+]([O-])=O)c3NC	105
+c1ccccc1COc2c(cc(cc2)Br)CNC	42
+c1ccccc1Nc2nc(ccc2C(=O)NC)Cl	56
+c1cc(ccc1)OC(NC)=O	101
+c1(cc2c(nccc2Oc3ccc(c(Cl)c3)NC(=O)NC)cc1OC)C(=O)OC	238
+c1ccccc1S(=O)(=O)c2ccc3OCCN(C(CCNC)=O)c3c2	4844
+c1nc(ncc1)C(O)CNC	284
+c1cc(ccc1CNC)Oc2cncnc2	42
+n1(Cc2c(F)cccc2)c3c(nc1)cnc(n3)NC	96
+N(C)C(c1nn(C2CCCCO2)c3cc(ccc13)Nc4ccccc4C(OC)=O)=O	81
+n1c(nc(Cl)c([N+]([O-])=O)c1NC)Cl	40
+c1c(NC)ncnc1Cl	40
+c1ccccc1-c2nc(NC)nc(Cl)n2	387
+COc1cn2cc(-c3cnc(NC)cc3)nc2cc1	182
+c1nc(ncc1OCc2ccccc2)NC	96
+n1cc2ccc(nc2c(Br)c1)C(NC)=O	81
+C1C(c2c(CC1)cccn2)NC	2049
+n1ccncc1C(O)CNC	284
+n1cnn(-c2cc(NC)ncn2)c1N	40
+NC(=O)C1C(C2CC1C=C2)Nc3c(c(ncc3Cl)N)N	13
+CCCn1c2c(c(nc(n2)-c3ccccc3OCCC)O)c(C)n1	9630
+NC(=O)c1c(NC2C(CCCC2)C)c3n(nc1)cc(N)c3	13
+c1c(Nc2cncc(-c3ccccc3F)c2C#N)c(F)cc(I)c1	274
+NC(=O)c1c(c2ccc(-c3c(C)nn(C)c3C)cc2nc1)Nc4cccc(C(=O)O)c4	6
+O(C)c1cc(OC)c2c(nc(nc2O)-c3nc(F)ccc3)c1	2863
+c1c(C)c(c(cc1-c2nc(O)c3c(OC)cc(OC)cc3n2)C)OCCCO	748
+c1c(c(Br)nc(c1)-c2nc3cc(cc(OC)c3c(n2)O)OC)OC	2863
+c1cc(ccc1N2CCN(C(C)=O)C(C2)C)-c3nc(c4c(cc(OC)cc4OC)n3)O	748
+Oc1c2c(nc(-c3cnncc3)n1)cccc2	4845
+c1(c(cc(c(c1Br)F)F)C(=O)O)F	9631
+c1(Cl)c(cc(c(c1N)Cl)C(N)=O)F	0
+N#Cc1cc2c(CCCC2)c(c1OC)I	274
+c1cc(ccc1)C=2CCN(CC=2)CCCC(=O)Nc3ccccc3C(=O)N	1822
+S=C(c1c(cccc1)[N+]([O-])=O)N	581
+Nc1sc(nn1)-c2cc3c(cc2)cnc(F)c3	4846
+Nc1sc(nn1)-c2cc(Cl)ncc2	4846
+c1c(OC)c(c(cc1)OC)CNC(Nc2nc(Br)ccc2)=N	9632
+c1cc(ccc1Br)-c2csc(Nc3cccc(C)n3)n2	354
+n1ccncc1Nc2nc(c(s2)-c3ccncn3)-c4cc(ccc4)C#N	4465
+Cc1nc(-c2cc3c(c(c2)O)scc3)sc1C(=O)OCC	2242
+c1cc(ccc1C(NC(C(=O)O)CCCC(O)=O)=O)F	946
+c1cc(ccc1S(=O)(=O)Nc2ccccc2Oc3ccc(Cl)cc3Cl)C(NCC(NCCCCC(N)C(OC)=O)=O)=O	9
+c1([N+]([O-])=O)cccc(c1)-c2sc(nc2C(=O)OC)C	9633
+c1(cc2OCCc3c(nc(C)s3)-c2cc1)N4CC(CNC(C)=O)OC4=O	3532
+c1cc(ccc1C#N)OCCCCCOc2ccc(cc2)-c3csc(C)n3	963
+c1cc(ccc1-c2c(sc(C)n2)C(=O)OC)F	9634
+Cc1ccccc1-c2nc(C)sc2C(=O)OCC	9635
+O=S(=O)(C)NCC(N)C	111
+c1ccccc1COC(NC(C(O)=O)CC(N)=O)=O	544
+c1cc(ccc1C(NC(C(O)=O)CCC(=O)OC)=O)F	946
+c1cc(ccc1)COC(=O)NC(c2ccccc2OC)CCC=C	101
+c1(nc([nH]c1)C(NC(=O)c2cncs2)CCCCCC(NC)=O)-c3cc4ccccc4nc3OC	454
+c1cccc2c1C(=O)N(C2=O)C(C)CO	672
+O=S(=O)(NC(C)CO)c1c([N+]([O-])=O)cccc1	71
+O=S(=O)(c1c([N+](=O)[O-])cccc1)Nc2ccccc2C=NC(C)CO	853
+O=S(=O)(c1ccc(cc1)Cl)N(Cc2ccc(cc2)C(NC(C)CO)=O)C3C(CCCC3)C	14
+C1(c2c(C=CN1C(C)CO)c(c(C)cc2)[N+]([O-])=O)=O	1892
+c1c(cc([N+]([O-])=O)c(NC(C)CO)c1)Br	60
+c1cc(ccc1)-c2c(COc3ccc(cn3)C(NC(CO)C)=O)c(on2)C	56
+c1ccccc1COC(=O)NC(C)CO	101
+c1cc(ccc1C)C2CCCN2c3nc(cc(Nc4sc(C#N)cn4)n3)C(NC(C)CO)=O	81
+c1cc(ccc1OC)CNC(C)CO	42
+c1cc(ccc1S(=O)(=O)N(C2CCCC(C)C2)Cc3ccc(cc3)C(NC(C)CO)=O)Cl	14
+c1ccccc1COC(=O)c2ccc(cc2C)C(NC(C)CO)=O	14
+c1ccccc1CSc2nc3nc(N)sc3c(NC(CO)C)n2	9636
+c1(nc2ccc([N+]([O-])=O)cc2cn1)N	9637
+c1(nc2c(cc(c(OC)c2)Br)cn1)N	9638
+c1(cccc(c1)CCc2nc(N)nc(O)c2)Br	9639
+c1c(cc2c(c1)nc(N)nc2)Br	9640
+c1cc(ccc1)Cc2c(O)nc(N)nc2C	3491
+c1cc(ccc1COC2CCCCO2)Cc3c(C)nc(N)nc3O	9641
+c1cc(ccc1OC)Cn2nc(c(-c3ccnc(N)n3)c2)-c4cccc([N+]([O-])=O)c4	3805
+NC(N)=NC(Cn1c(ccc1-c2ccccc2)C3CCC(CC3)CCC)=O	9642
+c1cc(ccc1)-c2ccnc(N)n2	4523
+c1ccccc1C(c2cc(ccc2F)-c3ccnc(n3)N)O	9643
+C(c1c(O)nc(nc1)N[N+](=O)[O-])C=2C=CN(C(C=2)=O)CCCC	9644
+n1c(N[N+]([O-])=O)ncc(c1O)Cc2cc(ccc2)OC	4847
+n1c(N[N+]([O-])=O)ncc(c1O)Cc2ccc(nc2)OC	4847
+NC(N)=Nc1scc(n1)-c2nc(ccc2)CO	629
+NC(N)=Nc1scc(-c2nc(C(=O)O)ccc2)n1	1
+c12C(NC(=O)Nc1c(C)cc(c2)Br)=O	9645
+c1c(Br)c(Cl)cc2c1cnc(O)n2	4660
+c1c2c(cc(OC)c1Br)nc(nc2)O	9646
+c1(c(c(ccc1C)O)C)Cl	4271
+c1cc(ccc1)C=2C(c3cc(c(c([N+](=O)[O-])c3)O)Cl)NC(=O)NC=2c4ccccc4	9647
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4cccc(C)c4	4848
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4ccc(Cl)c(Cl)c4	4848
+c1cc(ccc1)S(=O)(=O)n2ccc(c2)C3=C(c4ccccc4)C(NC(=O)N3)c5cc(c(c(c5)[N+]([O-])=O)O)OCC	9648
+c1c(CN2c3ccccc3NC2=O)cccn1	4849
+c1cc(ccc1)C(c2ccccc2)N3CCN(CC3)CCCN4C(Nc5cc(c(Cl)cc45)Cl)=O	4849
+c1cc(ccc1-n2c3C(=O)NC(=O)Nc3cc2)Br	9649
+c1cc(ccc1Cn2nccc2)Oc3ccc(cn3)N4C5(C(=O)NC(NC5=O)=O)CCC4=O	3524
+c1ccccc1-c2c3c(nc(O)n2)cccc3	9650
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCN4C(Nc5cc(ccc45)C(F)(F)F)=O	1595
+CCOC(=O)C(c1csc(N)n1)=NOCC	1145
+C(CCON=C(c1csc(N)n1)C(=O)OCC)CCCCC	1145
+N1C(NC(=O)C(=C1C)C)=S	9651
+O=C(C(=NOC)c1csc(N)n1)OC	9652
+N(=C(C(OCC)=O)c1csc(N)n1)OC	1145
+O=C(OCC)C(=NOCCC)c1csc(N)n1	1145
+O=C(OCC)C(=NOCCCC)c1csc(N)n1	1145
+N(=C(C(OCC)=O)c1c(C)sc(N)n1)OC	9653
+Nc1sc2c(CCCCC2=O)n1	3565
+n1cc(cnc1C)CC=2C(=O)NC(NC=2)=S	9654
+O=S(=O)(C)c1c(ccc(-c2c(C)nc(N)s2)c1)Cl	9655
+O=S(=O)(N(c1cccc(c1F)-c2nc(N)sc2)COC)c3c(F)ccc(F)c3	354
+O=S(=O)(N1c2c(CC1)cc(cc2)-c3c(C)sc(N)n3)c4ccccc4[N+]([O-])=O	1258
+Nc1nc(cs1)-c2c3cc(Br)cnc3[nH]c2C	9656
+c1(C)cc(cc(C)c1-c2csc(N)n2)Oc3ccc4OCOc4c3	354
+c1(N)nc(c(C)s1)-c2cc3CCN(C(c4ccccc4C)=O)c3cc2	1258
+c12c(cncc1F)sc(n2)-c3c([N+]([O-])=O)cccc3Cl	3092
+c12c(cncc1sc(-c3c(F)cccc3Cl)n2)F	3092
+c1c(C)c(c(cc1OC)C)-c2csc(N)n2	354
+Cc1cc(cc(C)c1-c2nc(sc2)N)Oc3ccc(cc3)F	354
+c1c(Cl)c(c(cc1C#N)Cl)-c2sc3cncc(F)c3n2	3092
+C1CCc2ccc(cc2-c3nc(N)sc13)F	1258
+c1cc(ccc1)-c2nc(N)sc2C=3C=CC(N(C(C)C)N=3)=O	9657
+c1c(C)c(c(cc1Oc2ccccc2)C)-c3nc(sc3)N	354
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC(C)(C)c3nc(N)sc3	1102
+c1cc(ccc1-c2nc(N)sc2)C#N	354
+C1CCCCC1Cc2c(-c3ccc(cc3)OC)nc(N)s2	1258
+c1cc(ccc1C(O)=O)-c2nc(N)sc2	9658
+CC(C)c1ccc(cc1)-c2csc(N)n2	354
+O=S(=O)(NC1CCCC1)c2ccc(cc2)-c3nc(N)sc3	354
+c1cc(ccc1SC)Cc2c(C(OCC)=O)nc(N)s2	9659
+c1cc(ccc1-c2nc(N)sc2C)OC	1258
+c1ccccc1C(Nc2nccc(c2)-c3c(-c4ccc(cc4)OC)nc(N)s3)=O	9660
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3C(C(=O)N23)NC(=O)C(=NO)c4csc(N)n4)=O	9661
+c1ncncc1CC=2C(=O)NC(NC=2)=S	9662
+O(c1cccnc1)c2cc(OCCOC)c(Nc3nccs3)nc2	3030
+c1ccccc1COC(=O)NC([PH](=O)O)C	101
+N#Cc1cc(c(c(c1N)[N+](=O)[O-])C)[N+]([O-])=O	274
+c1cc(c(-c2cc(c(C)[nH]2)C(N)=O)cc1)N	0
+Oc1c2sccc2nc(-c3ccccc3OC)n1	9663
+NC1=C(N)C(N(C(=O)N1)C)=O	721
+C(O)c1cccc(c1)OCCCNC2=C(N)C(=O)C2=O	41
+NC1=NC(=CC(N1C)=O)NN	9664
+c1cc(ccc1-n2c3c(cnc(n3)NC4CC(CC4)C(=O)O)nn2)OCCOC	96
+c1cc(nc(-c2c(cnc(NC3CC(C(=O)O)CC3)c2)Cl)c1)NCc4cc(ccc4)F	182
+c1cc(ccc1I)-n2nnc3cnc(nc23)NC4CCC(C4)O	96
+c1cc(ccc1OC)CN2C=Cc3cc(ccc3C2=O)OC4CC(CC4)N	57
+c1c2C(=O)N(C(=O)c2ccc1)C3C(CCC3)O	672
+c1ccc2c(c(cn2Cc3c(F)cc(-c4cnn(C)c4)cc3)C(NC5C(O)CCC5)=O)c1F	1281
+O=S(=O)(CC)NC(C(NC1CCCCC1c2cc(c(O)cc2)OC)=O)C(C)C	9
+n1cc(cnc1C(=O)NC2CN(c3nccn4cccc34)CC2)Br	855
+c1cc(ccc1F)-n2ccc(n2)C(NC3CCN(c4nccn5c4nnc5)C3)=O	81
+CCC(NC1CCc2cc(OC)ccc2C1)=O	9665
+c1cc(ccc1)COC(NC2C(CCCC2)CNC3Cc4c(cc(F)cc4)CC3)=O	110
+NC1CCc2ccc(cc2C1)O	5
+c1ccccc1COc2ccc(cc2)C(O)C(=O)NC3Cc4c(ccc(c4)O)CC3	9
+c1[nH]c2c(c1CCCNC3Cc4c(OC3)c(F)ccc4C(=O)N)cc(cc2)F	132
+c1[nH]c2c(cc(C#N)cc2)c1CCCNC3Cc4c(OC3)cccc4OC	132
+O=S(=O)(OCC1OC(CC1O)N2C(N=C(C(=C2)I)N)=O)c3ccc(cc3)C	36
+c1c(C2CC(c3c(nccc3C)C2)=O)c(F)ccc1C	9666
+C1(C(=C(N)N(CCCC)C(N1)=O)N=O)=O	863
+C1(C(=C(N)N(CCCCC)C(N1)=O)N=O)=O	863
+O(C(=O)CCCCC(=O)NCC(=O)c1ccccc1OC)C	612
+O=S(=O)(c1c(Cl)cc(cc1)Cl)NCCCCN	71
+c1(cccc(C(=O)O)c1)Nc2nc(ccn2)-c3ccnc(c3)NCCCCN	70
+c1cc(ncc1Br)NCCCN	340
+C(CNC(c1nc(c(nc1N)N)Cl)=O)N(C)CCC(=O)NCCN	248
+O=S(=O)(C)Nc1ccc(CC2=NCCN2)c(C)c1F	9667
+c1cc(ccc1)CS(=O)(=O)c2c(NCCN)ccc([N+](=O)[O-])c2	205
+O=S(=O)(Nc1c2c(ccc1OC)C(CCC2)C=3NCCN=3)C	9668
+O=S1(=O)c2ccc(cc2C(c3c1cc(cc3)C=4NCCN=4)=O)F	3923
+c12c(cccc1[nH]cc2Cl)NC(=S)NCCN	1167
+c1(nsc2ccc([N+]([O-])=O)cc12)NCCN	4060
+c1(cc(Cl)c(cc1)Br)NCC2=NCCN2	9669
+C1NCCNC1c2ccco2	9670
+NCCNc1ccc2ccccc2c1	9671
+c1nc(ccc1C(Nc2ccccc2N)=O)NCCN	70
+c1(ccc([N+]([O-])=O)c(n1)N)NCCN	70
+c1ccccc1COC(NCCN)=O	101
+c1cc(ccc1)Cn2c(c(c3c2cc(cc3)C4=NCCN4)C(=O)NCc5cc(F)c(cc5)F)C(C)C	9672
+c1cc(ccc1)Oc2ccc(CNC(c3ccc(NCCN)nc3N)=O)s2	70
+c1cc(ccc1-c2csc(NCCN)n2)Br	4289
+c1cc(ccc1C23Cn4c(C(=O)N2CCN3)ccc4Br)OC	9673
+c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2	9
+c1cc(ccc1F)C2c3nc(nc(NCCN)c3CC2)Cl	40
+c1ccccc1COc2ccc(C3=NCCN3)c(N)c2OC	2086
+c1ccccc1COc2ccc(cc2Cn3nc(cc3C)C4=NCCN4)Cl	9674
+c1cc(ccc1S(=O)(=O)NCCNc2ccc3c(cccc3)c2)C=C	71
+c1(c(cc(cc1)N(C)c2c3ccccc3nc(NCCNC(=O)C)n2)OC)OC	68
+c1c(nc(nc1)NCCc2ccc(c(OC)c2)OC)-c3cc(ccc3)[N+]([O-])=O	96
+c1(cc2oc(nc2cc1)NCc3c(Cl)cccc3)O	1527
+c1(c(cnc(n1)Cl)N)NCc2ccccc2F	40
+C(c1nc(nc(NCc2c([N+]([O-])=O)cccc2)c1Cl)-c3c(F)c(c(Cl)cc3)OC)(OC)=O	40
+CC(C)c1c(C)nc(C)c(CN)c1	1747
+c1cc(ccc1-c2nc(no2)CCCCCCCCCCC)CNCc3c4ccccc4sc3	42
+O=S(=O)(NCc1c2ccccc2ccc1)c3sc(Cl)c(Cl)c3	1427
+Oc1c(CNCc2cc(CC(OC)=O)ccc2)cccc1	42
+O=S(=O)(c1ccc(cc1)C#Cc2ncccc2)NCc3ccnc4c3cccc4	71
+c1cc(ccc1Cc2ccccc2)S(=O)(=O)NCc3ccnc4c3cccc4	71
+C(CCCCCCCCCCCC)C(NN)=O	561
+c1(-c2cc(c(C)cc2)C=3C(N(c4nc(SC)ncc4C=3)C)=O)[nH]cnn1	9675
+n1nc([nH]c1)-c2c(c(c(Br)s2)C#N)Br	2338
+c1c(-c2c(-c3nnc[nH]3)cn(-c4ccnc(Cl)c4)c2)c(ccc1)Cl	9676
+c1c(C)nc(-c2c(c[nH]n2)-c3cc(Br)c(F)cc3)cc1	9677
+c1cc(ccc1Cl)Cc2c(c(-c3ccnc(NC(=O)C)c3)sc2-c4nnc[nH]4)C#N	2338
+COc1cc(cc(OC)c1)-c2nnc(O)c3cc(ccc23)OC	1055
+CCOC(=O)C(C)c1n[nH]c(C)c1	9678
+N1C(=O)C(C)N2c3cc([N+]([O-])=O)ccc3SCC2=N1	2833
+N1C(=O)C(C)N2c3cc(c(C)cc3OCC2=N1)Br	2833
+c1(ccc(-c2c([nH]nc2N)C)cc1OCCOC)OCCOC	2014
+O(c1cccnc1NN)C	383
+c1c(cc(Br)c(F)c1)Cc2nnc(c3c2cccc3)O	3538
+c12OCCOc1c(C(NN)=O)cc(c2N)Cl	1094
+C(=O)(OCC)c1c2c([nH]n1)CCCCC2	2783
+n1c(c(nc(-c2cc([N+]([O-])=O)ccc2)n1)O)C(C)NC(C)=O	9679
+c1cc(ccc1C)Cc2nnc(c(O)n2)C(NC(C)=O)C	9680
+c1cc(ccc1-c2nnc(C(C)NC(C)=O)c(O)n2)[N+](=O)[O-]	9681
+c1c2c(O)nnc(-c3c(cccc3)OC)c2ccc1OC	1055
+c1(ccccc1C(NN)=O)I	898
+c1c(F)c(c(cc1-c2nnc(cc2)O)F)OCCCCl	4850
+c1ccccc1-c2nn3ccc(OC)cc3c2-c4ccc(nn4)O	9682
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)-c3ccc(O)nn3	4850
+O=S(=O)(Cc1c(C(NN)=O)cccc1)N	296
+O=S(=O)(c1c(C(=O)NN)cnn1C)N	9683
+CCN(CC)S(=O)(=O)c1c(nc(cc1)NN)C	383
+O=S(=O)(c1cc(-c2c3cccnc3[nH]n2)[nH]c1)NCCN4CCOCC4	2410
+O=S(=O)(c1ccc(NN)c(Cl)c1)N	2092
+c1cc(ccc1S(=O)(=O)N)Nc2nnc(N)[nH]2	3024
+O=S(=O)(c1ccc(cc1F)NN)N	2092
+O=S(=O)(n1c2ccc(C(NN)=O)cc2c(I)c1)c3ccc(cc3)C	898
+O=C(C(c1ccccc1Cl)O)NN	355
+Cc1cc(cc(C)c1-c2c(n[nH]c2N)C)Cl	2014
+c1(C)nc2n3c(nc(C(NN)=O)c3)ccc2c(C)c1	2100
+n1c(O)c2c(cn1)nc(N)s2	9684
+c1c(cc2c(c3c(n[nH]c3)nc2)c1)Br	9685
+NNC(c1ccc(c(Cl)c1)O)=O	296
+c1(cc(Cl)c(cc1O)O)-c2c(c[nH]n2)-c3cc(ccc3)OCCCCC#N	3575
+c1(nc(cc(NN)n1)Cl)CC	1021
+c1(F)cc(cc(F)c1)NS(=O)(=O)c2cc3c(n[nH]c3N)nc2	1448
+c1(-c2cc(nc(NN)c2)F)nc(SC)ncc1	1606
+n1ccc(-c2cc(nc(NN)c2)F)nc1Nc3ccnn3C	1606
+c1(c(OC)c(-c2c(n[nH]c2C)N)ccc1)OCCOC	2014
+[nH]1nc2c(cnc(SC)n2)c1	9686
+c1(C)c(ncc(c1)[N+](=O)[O-])NN	383
+n1ccnc(Cl)c1NN	2839
+Clc1c2c(n(C)nc2)nc(c1)-c3cccc4c(n[nH]c34)N	575
+c12c(n[nH]c1c(F)ccc2)N	575
+c1(c(c(ccc1C)Cl)Nc2ccccc2C(NN)=O)Cl	296
+c12cc(ccc1c(-c3cccc(OC)c3)nnc2O)OC	1055
+c1(cc(C)cc(C)c1OCC(NN)=O)-c2occc2	561
+n1c(NN)cc(cc1)-c2ncccc2	383
+c1(c2cccc(Cl)c2c(nn1)Cc3ccc(c(C#N)c3)F)O	9687
+c1(cc(cc(C)c1-c2c3ccccc3c(nn2)O)C)C	1055
+c1(Cl)cc(cc(Cl)c1)Oc2c(CC)n(CC(NN)=O)nc2CC	561
+c1(cccc(c1)-c2n[nH]c3nc(Cl)ncc23)Br	9688
+c1(ccc2[nH]c(c(Cc3c4c(cccc4)c(nn3)O)c2c1)C)Cl	1922
+c1(cccc(C(NN)=O)c1)N2C(=O)c3c(nc(SC)nc3)N4C(CCC4)C2	898
+c1cc(c(NN)nc1)-c2ccccn2	383
+c1(n(c2cc(C(=O)NN)cc(C)c2n1)Cc3ccc4c(CCc5c(C4=CC#N)cccc5)c3)CCC	898
+c1c2c3[nH]nc(C)c3c(O)nc2cc4CCCCc14	3093
+NNC(c1ncc2c(c1)cc(cc2)F)=O	1726
+c12c(c(O)nc3c1cc4ccccc4c3)c(C)n[nH]2	3093
+c1c(-c2cc3c(cc2)c(N)[nH]n3)nc(nc1N4CC(CCC4C)C(NCc5ccccc5F)=O)N	575
+c1c(-c2cncc(Nc3ccc(I)cc3F)c2C(NN)=O)c(ccc1)Cl	898
+NNC(c1cc(Br)c(Cl)cc1)=O	296
+s1ccc(c1)-c2c3ccccc3c(nn2)O	9689
+c1c(nn(Cc2n[nH]c3cc(nc(C)c23)C)c1C)C	9690
+c1(cc(cc(Cl)c1O)C(=O)NN)Cl	1094
+c1c2c(c(n[nH]2)N)c(F)cc1	575
+c1c(F)cc(cc1C(=O)c2ccc3c(c(n[nH]3)N)c2)F	575
+c1c(F)cc(cc1Cc2cc3c(cc2)n[nH]c3N)F	575
+c1c(I)cc(c(NC2=CC(=O)N(C)C=C2C(NN)=O)c1)F	9691
+c1c(OC)cc(cc1Nc2c(C(NN)=O)cccn2)OC	1872
+c1([nH]nc2c1cccc2F)-c3ccc(OC)cc3OC	1216
+c1c(cc2c(c1OC)[nH]nc2-c3cc(F)ccc3)C#N	1216
+c1c(cc2c(n[nH]c2c1)CC)Br	4851
+c1c(cc2c(n[nH]c2c1)CCC)Br	4851
+NNC(c1ccc(cc1OC)Br)=O	898
+NNC(=O)c1c(c(c2n(ccn2)c1)Cl)Nc3c(F)cc(cc3)Br	1325
+c12c3c(-c4c(C)c([N+]([O-])=O)ccc4)nnc(O)c3[nH]c1cc(cc2)Br	9692
+c1c(cc2c(c1)ncc(NN)n2)Br	1386
+c1(c(cc(nn1)Cl)C)NN	599
+c1(cc(OCc2ccc3ccccc3c2)cc(C(NN)=O)c1)[N+]([O-])=O	296
+N(c1nc2ccccc2nc1Cl)N	1386
+c1c2c(ccc1OC)nc3c(c2)c(n[nH]3)N	9693
+c1cc(ncc1Br)NN	2568
+[nH]1c(-c2n[nH]c3ncccc23)ccc1C(NC)=O	2410
+c12c(C(N(c3c(cccc3)C)C=C1)=O)c([nH]n2)N	4852
+c1cc(cc2nc(c(nc12)NN)OC)OC	1386
+c1ccccc1-c2c3c(nc(NN)c2)ccc(Br)c3	2572
+c1ccccc1-c2cc3c(N)n[nH]c3nc2	1448
+c1cc(ccc1)-c2nc(oc2-c3cnc(NN)cc3)C	383
+c1ccccc1-c2cnc(NN)cn2	2839
+c1cc(ccc1)-c2nnc(O)c3c2ccc(c3)OC	1055
+c1cc(ccc1)C(NC(Nc2nc(c3c(c2)n[nH]c3N)COC)=O)C	3094
+c1cc(ccc1)C=2c3c(C(N(C=2)c4ccccc4C)=O)c(n[nH]3)N	4852
+c1cc(ccc1)Cc2nnc(O)c3c2c(cc(OC)c3)OC	1922
+c1cc(ccc1)COCn2c(-c3ccc(c(OC4CC4)c3)OC(F)F)c(c5c(nncc25)O)Cc6c(F)cccc6	9694
+c1cc(ccc1)Nc2cc(-c3cc(c4c(c3)n[nH]c4N)F)nc(n2)N	9695
+c1cc(ccc1)OCc2c3c(cc(OC)cc3)c(O)nn2	1922
+c1cc(ccc1)Oc2ccc(cc2)-c3nc(cc4[nH]nc(N)c34)C5CCN(CC5)C(=O)OCc6ccccc6	3094
+c1cc(ccc1-c2c(n(c(-c3ccccn3)n2)C)I)C(=O)NN	296
+c1cc(ccc1-c2nc3c(cc2)c(n[nH]3)N)N	1448
+c1cc(ccc1-c2cnc(NN)nn2)C(OC)=O	4853
+c1cc(ccc1-c2nc(c(N)nc2)C(=O)NN)C(=O)N(C)C	4742
+c1cc(ccc1Oc2ccccc2)-c3nc(-c4ccc(cc4)NC(C)=O)cc5n[nH]c(c35)N	3094
+c1cc(ccc1-c2cn3c(ccc(c3)I)n2)-c4ccn[nH]4	927
+c1ccccc1-c2c(nc3c(c(ncc3)NN)c2)-c4ccc(cc4)C5OCCO5	9696
+c1cc(ccc1-c2ccn[nH]2)Br	927
+c1cc(ccc1Br)-c2c([nH]nc2C)-c3c(cc(c(c3)Cl)O)O	9697
+c1cc(ccc1-c2c3Cc4c(ccs4)-c3n[nH]2)Br	9698
+c1cc(ccc1C2=NNC(CC2)=O)CCOC(=O)C	2388
+c1cc(ccc1OCCCCCCOC)C(=O)NN	296
+c1cc(ccc1C(NN)=O)C#N	1094
+c1cc(ccc1[N+](=O)[O-])C=2c3cc4c(cc3CC(=O)NN=2)OCO4	9699
+c1cc(ccc1-c2nnc(O)c3cc(OC)ccc23)-c4nn(C)nn4	1055
+c1cc(ccc1C(Nc2cccc(C(=O)NN)c2)=O)C#N	296
+c1cc(ccc1C(NN)=O)I	296
+c1cc(ccc1-c2nnc(O)c3ncccc23)-n4ccnc4	9700
+c1cc(ccc1-c2nnc(c3cc(F)ccc23)O)F	1055
+c1cc(ccc1C2(CCN(CC2)C(=O)c3cc(c(cc3CC)C4CCC4)C(NN)=O)F)C#N	296
+c1cc(ccc1Br)C2C(C2)CC(=O)NN	355
+c1cc(ccc1CC(=O)OC)Oc2cc(NC(=S)NN)ccc2	4757
+c1cc(ccc1CCc2cc(C(OCC)=O)[nH]n2)OC	2889
+c1cc(ccc1C(NN)=O)CCCCCCCCCCCC	296
+c1cc(ccc1CN2C(c3cc(ccc3N=C2)CC(NN)=O)=O)OC	561
+c1cc(ccc1Cc2n(c(nn2)N)N)F	9701
+c1cnccc1-c2c(nccc2-c3ccc(cc3)Cl)NN	383
+c1cc(ccn1)-c2c(NN)nncc2-c3ccc(cc3)Cl	599
+c1cc(ccc1Cl)C=2CCC(=O)NN=2	2388
+c1cc(ccc1C2N(C(c3[nH]nc(C)c23)=O)c4cn5c(C)nnc5c(C)c4)Cl	9702
+c1cc(ccc1Cl)Nc2c3ncn(CCOCC)c3nc(NN)n2	1657
+c1cc(ccc1Cl)Nc2nc(nc3c2ncn3C)NN	1657
+c1cc(ccc1F)-c2cc([nH]n2)C(OCC)=O	4854
+c1cc(ccc1F)C(C)(C)CNc2ncc(cn2)-c3ccc4c(c(n[nH]4)N)c3	575
+c1cc(ccc1F)CC(=O)NN	561
+c1cc(ccc1NC(=O)c2c(cccc2)F)C(NN)=O	296
+c1cc(ccc1C(=O)NN)NC(CCCCC)=O	296
+c1cc(ccc1C(NN)=O)NC(CCc2cc3c(OCO3)cc2)=O	296
+c1cc(ccc1C(NN)=O)NC(CCc2ccc(c(c2)O)O)=O	296
+c1cc(ccc1NS(=O)(=O)C)-c2ccc(NN)nn2	599
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3nc4n[nH]c(N)c4nc3	9703
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3nc4c(c(C)[nH]n4)nc3	9704
+c1cc(ccc1-c2cc([nH]n2)C(OCC)=O)OC	4854
+c1cc(ccc1OC)-c2n[nH]c3c(cccc23)F	1216
+c1cc(ccc1OC)-c2[nH]nc3c(cccc23)Cl	1216
+c1cc(ccc1OC)-c2[nH]nc3c(C)cccc23	1216
+c1cc(ccc1OC)N2CCN(CC2)c3ccc(cc3)NC(=O)NN	9705
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)Nc3nnc(N)[nH]3	3024
+C1COCCN1CCOc2ccc(cc2)C=Cc3n[nH]c(c3)C=Cc4ccc5cc[nH]c5c4	9706
+c1cc(ccn1)C2C(=NNC(C2)=O)c3ccc4c(c3)cccc4	4105
+Cc1n[nH]c2c1c(O)nc3ccc(I)cc23	3093
+c12cc(NN)ccc1c(ncc2Br)N	2092
+NNC(c1cccc(c1)I)=O	296
+c1cc(ccc1)-c2cc3c(ccc3)oc2CC(=O)NN	743
+c1ccccc1-c2nc(C3CN(CCO3)c4nc(N)nc(-c5ccc6c([nH]nc6N)c5)c4)[nH]c2	575
+c1cc(ccc1C=2N(c3ccc(cc3)Cl)C(=O)c4cnn(c4N=2)-c5ccccc5)-c6[nH]ncc6	927
+c1ccccc1C2C(CCCCC)=NNC2	9707
+c1ccccc1C(=O)N2Cc3c(nnc(NN)c3)CC2	599
+c1ccccc1CNC(=O)c2cnc(NN)cc2	383
+c1ccccc1COc2c(C#N)c(NN)ncc2	2568
+c1ccccc1COc2cc(NN)ncc2	383
+c1ccccc1COc2ccc(c(F)c2)-c3cc(N)[nH]n3	1941
+c1cc(ccc1OCc2ccccc2)-c3n[nH]c4c3ncc(c4)F	9708
+c1ccccc1COc2cnc(cc2O)C(=O)NN	2944
+c1cc(ccc1)OCc2[nH]nc(C(=O)OCC)c2	2889
+c1ccccc1Oc2ncc(cn2)-c3[nH]nc(C(=O)OCC)c3	9709
+c1cc(ccc1)S(=O)(=O)c2c([nH]c3ccc(cc23)Cl)NN	9710
+Ic1ccnc(NN)c1Cl	383
+c1cc(ccn1)-c2c(c(NN)nc(n2)NC(C)(C)c3ccccc3)-c4ccc(cc4)F	1021
+c1cnccc1-c2nc3c(cc(nn3c2)NN)N4CCOCC4	599
+c1c(c(ccc1)F)-c2nnc(nc2)NN	4853
+c1ncncc1Cn2c3ncc(F)cc3c(C(NN)=N)n2	3554
+n1(C)ncc(-c2nnc(cc2)NN)c1	599
+n1(C)ncc(-c2cnc(c(c2)F)NN)c1	1606
+n1c(SC)nccc1-c2c(-c3occc3)nc4c(c(n[nH]4)N)c2	1448
+c1c(c(ccc1)-c2nc(nc(NN)c2)CC)OC	1021
+n1c(CCl)nc(c2cc(C)ccc12)NN	1021
+n1c(-n2ncc3c(ncnc23)NN)cccc1	9711
+NNC(=O)c1noc(c1)-c2cc(F)ccc2	2944
+C(C)OC(c1nn(c(CC)c1)C)=O	2202
+[nH]1c2c(c3c(cn2)cnn3C)cc1	9712
+c1(F)cccc(F)c1-c2c(N)n(nc2C)C	4855
+c1(F)cc(cc(F)c1-c2c(n(nc2C)C)N)OC	4855
+O=C1CC(=NN1C)c2c(cccc2)Cl	4856
+c1cc(ccc1-c2cncc3n(C)nc(N)c23)N	9713
+c1cc(ccc1-c2n(nc(c2)C)C)F	2514
+c1cc(ccc1Cl)Nc2c(Cl)cc(-c3n(nc(C)c3)C)cn2	9714
+C1(c2c(C(=O)N1CCc3cc(C(OCC)=O)nn3C)cccc2)=O	2202
+c1cc(ccc1)C=2CC(=O)N(C)N=2	4856
+c1(c(C(=O)NNC(C)=O)cc(Br)cn1)N	2716
+c1(cc-2c(cc1Br)CCc3nnc(C)n-23)F	1447
+c12c(C(=O)N(C1=O)C(c3cc4c(nc3C(=O)NNC(=O)C)c(Cl)ccc4)C)cccc2	4191
+n1c2CCc3c(cc(Cl)c(c3)Br)-n2c(C)n1	1447
+c1cc(ccc1)Oc2cc(Br)cnc2Nc3nc(cs3)CCC(=O)NNC(=O)C	1038
+c1cc(ccc1C(NNC(C)=O)=O)Oc2cc(cc(c2)OCc3ccccc3)C(OC)=O	2524
+c1c(Br)cc2c(c1)-n3c(nnc3C)CC2	1447
+CC(c1nnc2n1nc(cc2)Cl)c3c(cc4ncccc4c3F)F	2102
+c1cc(c(c2C(C(=O)Nc12)=NNC(=O)Cc3ccc(c(Cl)c3)O)Cl)C(=O)O	4857
+c1cc(ccc1-c2cc(n(n2)C(N)=O)N)F	9715
+C1N(Cc2n(c(-c3ccc(cn3)F)nn2)C1)C(=O)c4c(c(c(cc4)F)Cl)Cl	9716
+c1ccccc1C(C)=NNC(c2c(c(ccc2)[N+]([O-])=O)O)=O	2085
+[N-]=[N+]=NC(c1noc(c1)-c2cc(F)ccc2)=O	2279
+c1cc(ccn1)-c2nnc(C(C)NC(c3sccc3)=O)[nH]2	9717
+Nc1sc(C(C)F)nn1	1087
+Fc1cc(cc(F)c1-c2nnc(N)s2)Br	9718
+c1ccccc1C(CNC(=O)C)=NNC(N)=S	9719
+c1ccccc1CC(Nc2nnc(CCCCc3nnc(N)s3)cc2)=O	3054
+c1cc(ccc1N2CCC(CC2)OC3CCCCC3)-c4sc(nn4)N	3904
+c1cc(ccc1Cl)OCC(=O)NNC(=S)N	9720
+NC(=S)NNC(c1ccc2c(c1)cc(nc2)F)=O	3046
+c1(cc(N(CC)C(C)=O)ccc1)-c2ccc3nnc(NC)n3n2	9721
+c1(cccc(C)c1Nc2c(nc3ccc(F)cn23)-c4c(C(=O)NNC(=S)NC)cccc4)C	3046
+c1cc(ccc1Cl)C(NNC(c2ccc(c(c2)O)C)=O)=O	1601
+N=1NC(OC=1c2cc3c(occ3)cc2)=S	1770
+[N-]=[N+]=NC(=O)c1ncc2c(c1)cc(cc2)F	2279
+C(C)OC(c1cc(-c2ccc(cn2)C)n(-c3cccnc3)n1)=O	9722
+c1cc2n(-c3cccnc3)ncc2cc1I	9723
+O=S1(=O)Nc2c(c(ccc2)Br)CN1C	9724
+O(CC)C(OCC)c1cc2c(c(N3CCN(CC3)S(=O)(=O)N)cnc2)o1	2694
+O=S1(=O)Nc2c(cccc2)N1c3c(C)cc(cc3)F	3095
+c1cc(ccc1COC2CN(CC2)S(=O)(=O)N)OC	2694
+c1cc(ccc1F)CN2CC(N(CC2C)C(COc3c(CC(NS(=O)(=O)N)=O)cc(Cl)cc3)=O)C	344
+O=S1(=O)N(c2ccccc2N1)c3c(C)cccc3	3095
+O=S1(=O)Nc2c(N1c3ccccc3F)cccc2	3095
+c1(Cl)cc(Br)c(O)nc1	3021
+c1ccccc1Oc2cc(cnc2N)Cl	706
+Nc1cc(cc(Br)c1[N+]([O-])=O)Br	9725
+c1(cc2ccc(-c3c(N)nccc3)cc2cc1)OC	89
+c1cc(ccc1-c2cccnc2N)O	89
+c1cc(ccc1)Oc2c(nccc2)N	706
+c1cc(ccc1F)-c2cccnc2N	89
+N1=CN(C(c2scc(Br)c12)=O)C	9726
+Nc1c(Br)csc1C(=O)O	1
+CC1(C)Cc2c(O1)cc(cc2-c3cnc(N)c(c3C)C#N)Cl	89
+c1cc(ccc1)Oc2c(C#N)c(N)ccc2	46
+c1cc(ccn1)C(NC2CCC(CC2)COc3cccc(N)c3C#N)=O	57
+n1nn[nH]c1-c2c(N)nc(Cl)nc2	4335
+c1cc(ccc1Nc2nc(c(C#N)cn2)N)C(NCCCn3ccnc3)=O	55
+c1(NC(C)=O)c(C(=O)C)cc(c(C)c1)Br	26
+COc1c(cc2nncc(c2c1)O)CC	4858
+COc1c(cc2c(nncc2O)c1)CC	4858
+O=C(OCC)C(=O)Nc1c(C(=O)N)cc(C)cc1	994
+c1(O)nc(COCCc2cccc(F)c2)nc3c1cncn3	9727
+n1c([nH]c2ncccc12)-c3cc(Br)cnc3N	9728
+Nc1c(cc(C#N)cc1)C(=O)O	1
+c1c(C)cc(cc1CC(Nc2c(C(OC)=O)cc(c(Cl)c2)[N+](=O)[O-])=O)C	26
+Nc1c(CO)cnc(Cl)c1	295
+Fc1cccc(F)c1-c2c(F)cc(c(C(=O)OC)n2)N	119
+c1(-c2csc(n2)-c3cncnc3N)cc([N+]([O-])=O)ccc1	9729
+c1cc(ccc1C)S(=O)(=O)N(CC)c2cc(-c3ccnc4c(cnn34)C(c5occc5)=O)ccc2	2214
+Nc1cc(cc(C)c1N)Br	0
+N(O)C(c1ccc(C)c(N)c1)=N	181
+c1cccn2c1ncc2C(Nc3c(C)ccc(c3)C#N)=O	466
+c1(C)c(C(Nc2c(C)c(C(OC)=O)ccc2C)=O)cc(cc1)Br	67
+n1c(Nc2c(C)ccc(CO)c2)ccnc1Cl	73
+c1(C)c(cc(cc1)F)NC(C)=O	26
+c1(OC)cc(C(=O)Nc2c(c(ccc2C)O)C)cc(-c3cc(F)ccc3)c1	67
+c1c(c(c(C(Nc2c(C)c(ccc2C)O)=O)cc1-c3cc(ccc3)F)F)C	67
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5cc([N+]([O-])=O)ccc5C)=O)n2	50
+n1c(Nc2c(C)ccc([N+]([O-])=O)c2)ccnc1Cl	73
+c1c(c(c(C)cc1)N)C(Nc2cccc(Br)c2C)=O	67
+Clc1cc(C(=O)O)c(N)c(C)c1	196
+Cc1c2c(c(ncn2)O)ccc1	1116
+c1(c(c(ccc1)O)NC=2C(C(=O)C=2OCC)=O)C	1771
+c1c(Br)c(Cl)ccc1C(=O)Nc2c(cccc2C)O	50
+N1c2c(C)cccc2OC1=O	3096
+Cc1c(O)c(ccc1)Oc2c(F)cccc2	956
+C(=O)(O)C=Cc1c(NC(C)=O)cc(Cl)c(OC)c1	26
+c1(ccc(Cl)c(-c2c(N)nc3c(c2)cncc3)c1Cl)[N+]([O-])=O	9730
+O=Cc1cc(Br)c(Cl)cc1N	39
+Nc1c(C=O)cnc(Cl)c1	200
+c1ccccc1COCCCC(CC(Nc2c(Cl)cc(cc2)C)=O)c3c(C4CC4)c(-c5cnc(s5)CC(C)C)on3	33
+c1ccccc1N2N(C(=C(C(Nc3cc(F)c(O)cc3Cl)=O)C2=O)C)C	1349
+n1(C(c2cc(c(N)c3OCOc23)Cl)=O)ccnc1	4859
+c1ccccc1COC(=O)Nc2ccc(C(=O)OC)cc2Cl	90
+Nc1cc(ccn1)Oc2ccc(N)c(Cl)c2	242
+c1(cc2c(nccc2Oc3ccc(N)c(Cl)c3)cc1OCCOC)C(=O)OC	242
+c1(c(ccc(Oc2ccnc3c2cc(c(OC)c3)OC)c1)N)Cl	242
+Nc1c(Cl)cc(cc1)Oc2c3cc(C#N)c(OCC4CO4)cc3ncc2	267
+c12c(C(OC(c3cc(Cl)nn3-c4c(Cl)cccn4)=N1)=O)cc(cc2Cl)I	2241
+c12c(NC(S1)=S)cc(C#N)cc2	9731
+Nc1c(c(ccc1Cl)CN)Cl	162
+c1(cccc(F)c1N2C(C=CC(C(Nc3c(Cl)ccc(C(O)=O)c3)=O)=C2)=O)F	9732
+O=S(=O)(Nc1cc(ccc1Cl)CO)c2ccc(c(c2)OC)OC	69
+c1cc(ccc1F)Nc2cc(F)ccc2Cl	230
+Nc1c(Cl)ccc(C(=O)O)c1	1
+c1c(CO)c(N)c(Cl)cc1	98
+c1(F)cccc(F)c1COc2nc(C)cnc2N	799
+O=S(=O)(Nc1cc(Br)cnc1Cl)c2ccccc2	322
+Nc1cc(N)cnc1Cl	13
+CC(Nc1c(Cl)nn(-c2cccnc2)c1)=O	4708
+c1([N+]([O-])=O)cc2c(cc1F)ncnc2Nc3c(F)c(c(Cl)cc3)Cl	73
+Nc1c(c(ccc1Cl)CN)F	162
+O=S(=O)(C)Nc1c(F)cc(C=C)cc1	80
+c1cnc(C)cc1Oc2cc(F)c(N)cc2	242
+O=S(=O)(Nc1c(ccc([N+](=O)[O-])c1)F)C	80
+c12c(NC(S1)=S)cc([N+]([O-])=O)cc2	9733
+Cc1nc2ccc(c(c2[nH]1)C)[N+]([O-])=O	442
+c12c(nc[nH]1)c(C)c(cc2)[N+]([O-])=O	631
+c12c(nc[nH]1)c(Cl)c(cc2)Br	631
+C(c1ccc2[nH]nnc2c1C)(=O)OC	1714
+c1c(c(c2NC(C(=O)Nc2c1)=O)C)C	2966
+c12c(nc[nH]1)c(c(cc2)Br)C	631
+Cc1nc2c(c(cc([N+]([O-])=O)c2)Br)[nH]1	442
+c1cc2c(n(C)nn2)c3c1NC(C(=O)N3)=O	9734
+c1([nH]c2cc(c(Cl)cc2n1)Cl)-c3c(Cl)nccc3	4860
+COc1ccc(-c2nc3c(cc(c(Cl)c3)Cl)[nH]2)cc1[N+](=O)[O-]	622
+c1ccccc1COc2cc(OC)c(-c3nc4nc(ncc4[nH]3)Cl)cc2	4672
+Nc1c(NC(C)=O)c(Br)c(c(c1)C(=O)O)O	1
+COc1cc(cc(OC)c1)C2=Nc3c(nc(Cl)nc3)N(C)C2=O	9735
+c1c(c(-c2nc3c(n2CCO)nc(nc3Cl)C)ccc1)Cl	4168
+N1C(=S)Oc2c1ccnc2Br	9736
+Oc1c(cccc1NN=C2C(=O)N(c3ccc4CCCc4c3)N=C2C)-c5ccc(C(=O)O)o5	4436
+CCOC(=O)c1c(C)nc2c(O)cc(F)cn12	1316
+c1cc(ccc1C#N)Oc2cccnc2N	551
+c1cc(ccn1)C(=O)Nc2c(nc(nc2)Cl)O	4861
+Nc1c(N)c(c(cc1)Br)C	0
+Nc1c([N+]([O-])=O)c(C)cc(F)c1	4862
+O=S(=O)(Nc1c(F)c(ccc1)C(=O)OC)c2c(F)ccc(c2)F	69
+c12[nH]c(nc1cc(cc2C)Br)CCC	791
+Cc1c(Cl)c(Br)ccc1	480
+c12c(Cl)c(ccc1n[nH]c2)Br	1559
+c1cc(ccc1)CCNC(c2c(N)ccnc2Cl)=O	56
+Nc1c(c(Cl)ncc1)C(=O)O	1
+c12cnc(Cl)c(F)c1c3c(nccc3)[nH]2	4863
+c1c2NC(=O)Nc2c(F)cc1	2280
+C12NCCOC1CN(CC2)c3c(c(N)cc(C#N)c3)Cl	15
+c1(C(=O)O)cc(c(c([N+]([O-])=O)c1)C)O	606
+Nc1c(N)c(c(C(=O)OC)cc1)C	0
+C1CC1c2c(c(Cl)c(N)cc2F)F	365
+Nc1c(C)c(c(cc1)C#N)F	180
+c1c(ccc(Oc2c(c(N)ccc2Br)[N+]([O-])=O)c1F)F	46
+C1CC1N(c2nc(Nc3c(Cl)c(C(CCO)C)cc(C#N)c3)nn4c(C#N)cnc24)Cc5ccc(cc5)OC	9737
+Nc1cc(cc(c1I)OCC)CO	98
+Nc1c(Cl)ccc(O)c1C	196
+c1c(I)cc(c(Nc2cc(cc(Oc3c(c(N)ccc3)C)c2[N+]([O-])=O)F)c1)F	46
+O=S(=O)(Nc1cc(c2C3CC3COc2c1C(OC)=O)F)c4c(Br)cc(F)cc4	69
+O=S(=O)(c1ccc(F)cc1Br)Nc2ccc3c(c2C(=O)OC)OCC4CC34	69
+O=S(=O)(c1c(CC2CN3CCC2CC3)cc(F)cc1)Nc4ccc5c(c4C(=O)OC)OCC6CC56	69
+c1ccccc1COC(=O)NC(NC(=O)OCc2ccccc2)=Nc3cc(c4c(c3C)nc[nH]4)C	9738
+n1cc(c(Nc2c(c3cc[nH]c3cc2)C)c(C#N)c1)I	179
+Nc1c(CO)cc(Br)c(Cl)c1	49
+c1(c(N)cc(Cl)c(c1)Br)O	5
+c1(NCc2ccc3c(oc(SC)n3)c2)c(cc(Br)c(Cl)c1)[N+]([O-])=O	208
+Nc1c(C(=O)O)cc(Br)c2CCCN(C)c12	1
+O=S(=O)(NC1CC1)c2cccc(-c3cnc(N)c(c3)C(=O)N(C)OC)c2	89
+COCC#Cc1cc(F)c(Nc2c(F)c(ccc2C(=O)O)F)cc1	275
+c1ccccc1COC(c2cc(ccc2N)C#N)=O	470
+c1cc(ccc1)CSc2cc(C#N)ccc2N	1128
+c1cc(ccc1-c2cncc(n2)Nc3ccc(C(=O)O)cc3OC)O	4864
+c1ccccc1CCCN2c3nc(Nc4ccc(cc4OC)C(=O)O)ncc3N(C(=O)C(F)(F)C2)C	55
+O=C(c1ccccc1Sc2cc(ccc2N)C(=O)O)O	826
+O=S(=O)(c1ccccc1)Nc2c(C(=O)O)cc(cc2)CC	69
+c1ccccc1COC(Nc2c(cc(CO)cc2F)CCCC)=O	90
+Cc1c(Cl)cc(N)c(N)n1	13
+c12[nH]c(C)cc1cc(cn2)F	3840
+c1(c(N)cc(I)c(Cl)c1)N	0
+c1c(C)c(c(cc1-c2nc(O)c3c(n2)ccc([N+]([O-])=O)c3)C)O	748
+c1(c(Cl)cc(cc1)CNC(c2cc([N+]([O-])=O)ccc2N)=O)Cl	14
+c1(c(N)cc(C)c(c1)Br)O	5
+c1([N+]([O-])=O)cc(N)c(OC)cc1F	31
+O=S(=O)(C)Nc1cc(ccc1Nc2nc(Nc3ccc(cc3OC)OCCO)ncc2Cl)OC	55
+C1(=Nc2c(C)cc(cc2C(O1)=O)I)c3cc(nn3-c4ncccc4Cl)Cl	2241
+c1c(Br)cc([N+]([O-])=O)cc1F	480
+Nc1c(cc(cc1[N+]([O-])=O)F)C(=O)N	1079
+Nc1c(N)c(cc(F)c1)C(=O)N	0
+c1c2c(nc(c1)O)cc(F)cc2	9739
+c12c(ccc(F)c1cccn2)[N+]([O-])=O	4865
+c1ccccc1C(COc2cc(N)c(cc2)[N+]([O-])=O)N	57
+N1(C(Nc2c(ccc(OC)c2)CC1)=O)C	3764
+C(=O)(c1ccc([N+]([O-])=O)cc1NC(=O)Cc2ccc(c(c2)Cl)Cl)O	33
+c1([N+]([O-])=O)ccc(CC)c(c1)O	606
+c1ccccc1-c2n(-c3cc(ccc3O)[N+]([O-])=O)cc4N(C)C(N(C(=O)c24)C)=O	4866
+c1([N+]([O-])=O)ccc2c(NC(O2)=O)c1	3096
+Clc1c2c(c(ncn2)O)ccc1	1116
+c1cc(ccc1Cl)Oc2cc(CNC(c3c(N)nccc3)=O)ccc2	56
+c1cc(ccc1)N2C(Nc3ncccc3C2=O)=O	9740
+Nc1c(nc(NC)nc1)N	193
+Clc1cccc(Cl)c1C(Nc2c(n[nH]c2)C(OC)=O)=O	3452
+c1cc(ccc1C(Nc2c[nH]nc2C(OC)=O)=O)C	1404
+c1cc(ccc1-c2c(ccc(OC)n2)N)N(C)C	119
+Cc1[nH]c2c(n1)cc(c(-c3occc3)n2)-c4ccncn4	2684
+c1cc(ccc1)COC(N(C(C)C(=O)Nc2ccc(nc2O)Br)C)=O	469
+c1(Cl)nc(C)nc2nc[nH]c12	9741
+n1n2c(c(N)cc(C(=O)OC)c2)nc1-c3cccs3	9742
+c1c(C(=O)Nc2c(ncnc2Cl)Nc3ccnc(Cl)c3)cc(F)cc1	3097
+Clc1cccc(Cl)c1Cc2[nH]c3c(c(ncn3)Cl)n2	9743
+c1(cccc(Cl)c1Nc2[nH]c3c(Cl)ncnc3n2)Cl	9744
+n1(cnc2c1ncnc2Cl)C3CC(CO)OC3	9745
+c1ccccc1COC(Nc2cccc3cc[nH]c23)=O	950
+c1cc(ccc1)OCc2cc(nc3sc(c(N)c23)C(=O)N)C	20
+O=S(=O)(CCCCCCCCCCCCCCCC)Nc1cccc2c1cc(cc2)O	80
+N(c1cccc2cnc(cc12)COC)=C=S	9746
+c1ccccc1OC(Nc2noc3c2cccc3)=O	278
+c1cc(ccc1)Cn2ncc(c2)C(Nc3c4cc(Br)cnc4[nH]c3)=O	4371
+c1(nc2c(o1)ccc(c2)C(C)C(Nc3c4cccc(F)c4ncc3)=O)-c5c(Cl)cccc5F	33
+O=S(=O)(C)c1cc(c(cc1)OC)C(=O)Nc2c(-c3ncccc3)[nH]nc2	1404
+c1cc(ccc1OCc2nccc(c2)Cl)C(=O)Nc3cc(ccc3C)-c4ncc[nH]4	67
+Nc1cc(ccn1)-c2c(nc3cccnn23)-c4cc(c(cc4)F)C	1288
+c1cc(ccc1)OC(=O)Nc2cc(-c3n(nnn3)C)cc(CC)c2	90
+O=S(=O)(Nc1c(ncc(c1)Br)N)C	1374
+c1(-c2nc3c([nH]2)ncc(c3)Br)c(Cl)ccc([N+]([O-])=O)c1	2245
+c1cc(ccc1CNc2cc(c(c(c2)N3CCCC3=O)F)C(OC)=O)OC	208
+O=S(=O)(C)Nc1cc(c(cc1)Br)C(=O)OC	80
+c1c(-c2c(C(OC)=O)cc(N)cc2)c(ccc1)Br	11
+c1ccccc1COC(NC(C(Nc2ccc(O)c(C(OC)=O)c2)=O)CC(C)C)=O	33
+Nc1cc(C)c(CCC(OC)=O)cc1-c2cc3cnn(C)c3cc2	11
+c1cc(ccc1C#N)Nc2cc(c(Br)cc2)C	275
+c1cc(ccc1-c2ccc(N)cc2C)C(O)=O	11
+c1c2c(nccc2)cc(C)c1Br	9747
+c1c(C)c(Br)cc(N)c1N	0
+n1ccc(OC)nc1Nc2cc(C)cc(-c3sc(nc3Cl)N4CCCNC(=O)C4)c2	55
+O=C(Nc1c(ccc(C(OC)=O)c1)C)c2cc3cc(OC)c(OC)cc3nc2O	9748
+O(c1ccnc(c1)Cl)c2c(ccc(C(Nc3c(F)ccc(c3)C)=O)c2)F	4867
+c1ccccc1C=Nc2c(ccc(C)c2)O	457
+c1ccccc1C(=O)Nc2cc(C)ccc2[N+](=O)[O-]	50
+c1cc(ccc1Br)S(=O)(=O)Nc2onc(c2)C	4506
+c1cc(ccc1)OC(Nc2cc(no2)C)=O	4799
+N1C(=O)C(CCCC1)Nc2cc(c(cc2)C#N)Nc3cc(C)ns3	2170
+c1c2c([nH]cc2CC(C(N)=O)Nc3ccc(c(Nc4cc(ns4)C)c3)C#N)ccc1	2170
+c1ccccc1C(C(=O)N)Nc2ccc(C#N)c(c2)Nc3snc(C)c3	2170
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(c3)-c4cccc(C(=O)NC(C)(C)C(Nc5noc(C)c5)=O)c4)o2	142
+n1n(CCCc2ncc(cc2C)Br)c3ncc(cc3n1)Cc4cnccc4	9749
+C(c1c(Cl)cc(N)c(C#N)c1)CC	4868
+Nc1cc(Cl)c(cc1C#N)C	180
+O=S(=O)(Nc1cc(cnc1Br)Cl)c2cc(C)c(cc2)Cl	322
+O=S(=O)(Nc1cc(cnc1Br)Cl)c2ccc(c(CC)c2)Cl	322
+n1c(C(=O)OC)c(c(N)c(Cl)c1Cl)Br	395
+Nc1cc(Cl)nc(Cl)c1N	13
+C(COc1nc(Cl)cc(N)c1[N+](=O)[O-])O	91
+c1(C)cccc(C)c1CNc2c(c(nc(Cl)c2)Cl)[N+]([O-])=O	1731
+c12c(n(cn1)C)cc(nc2)Cl	9750
+c1(C)cc(Nc2ncc(c(N)c2)[N+]([O-])=O)nc(C)n1	346
+Nc1cc(F)c(C#N)c(Cl)c1	180
+c1ccccc1COC(Nc2ccc(c(F)c2)N3CC(=O)N(CC3)CC)=O	90
+c12OCOc1cc3C4(c5ccccc5N(C4=O)Cc6[nH]c7cc(ccc7n6)F)COc3c2	442
+S(C)c1cc(N)c(cc1Cl)Br	1524
+c1cc(ccc1)OC(NC#N)=Nc2cc(c(Cl)nc2)N	9751
+O=S(=O)(Nc1ccc(C(O)=O)c(c1)O)c2cc(c(s2)Cl)Br	1063
+O=S(=O)(c1cc(Cl)sc1Cl)Nc2ccc(C(O)=O)c(c2)O	4869
+O=S(=O)(c1cccc(c1)Br)Nc2cc(c(C(O)=O)cc2)O	69
+[N-]=[N+]=Nc1cc(O)c(cc1)C(=O)O	615
+c1cc(ccc1-c2ccc(cc2)S(=O)(=O)OCC(Nc3cc(c(C(=O)O)cc3)O)=O)Cl	26
+O=C(O)c1cc(N)c(N)cc1O	0
+COc1c(C)ccc(c1)O	477
+NC(=S)Nc1cc(OC)c(Cl)cc1	3098
+c1(cc2c(nc(c(c2)CNc3cc(OC)c(cc3)C#N)O)cc1O)Cl	2116
+Nc1cc(O)c(cc1Cl)C(=O)O	5
+c1cc(ccc1)CN2CC(OCC2)CCCNC(c3cc(Cl)c(N)cc3OC)=O	14
+c1cc(ccc1-c2cncc(Nc3c(Cl)cc(c(OC)c3)C(=O)O)n2)O	4864
+Nc1cc(OC)ccc1CO	49
+O=Cc1ccc(OC)cc1N	39
+c1cc(ccc1)COc2ccc(c(n2)C)Nc3cc(OC)ccc3Cl	1674
+c1cc(ccn1)C(Nc2cc(OC)ccc2O)=O	50
+c12c(ncnc1cc(OCC#C)c(OC)c2)O	4870
+c1cc(ccc1Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O)C#N	2175
+c1cc(ccc1S(=O)(=O)C)Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O	2175
+c1cc(ccc1Cc2c(CC)nc3c(c2O)c(OCC(=O)OC)ccc3F)-n4cccn4	2175
+CN(C)C=Nc1cc(c(cc1C#N)OC)OCCOC	2275
+CSc1ccc(N)c(N)c1	0
+n1cc(cnc1Nc2cc([N+]([O-])=O)c(cc2)C)Br	55
+c1c(c(C)ccc1O)C#N	606
+O=C1c2c(cccc2)C(=O)N1c3ccc(c(F)c3)C	668
+c1ccccc1C(Nc2ccc(c(O)c2)C)=O	50
+Nc1c(Cl)cc(cc1)CO	3099
+Clc1ccc(cc1F)Nc2c([N+]([O-])=O)cccn2	201
+n1ccc(nc1Nc2cc(c(Cl)cc2)O)N	55
+n1c(ccnc1Cl)Nc2cc(c(F)cc2)C#N	73
+O=S(=O)(C)Nc1ccc(F)c(c1)C(=O)C	80
+COc1c(ccc(N=C=S)c1)-n2cnc(Cl)c2	1381
+c1cc(ccc1Cl)C2c3nc(nc(c3CC2)N(C)C)Nc4cc(OC)c(cc4)-n5cc(nc5)Cl	55
+c1cc(ccc1C2c3c(c(N4CCC(CC4)(O)C)nc(Nc5ccc(c(OC)c5)-n6cc(nc6)Cl)n3)CC2)F	55
+c1ccccc1C2c3nc(Nc4ccc(c(c4)OC)-n5cc(nc5)Cl)nc(NC)c3C(C2)=O	55
+C1CC1c2ccc(N)cc2C#N	365
+COc1c(ccc(NC(C)=O)c1)CC	26
+Clc1ccc(CC)c([N+]([O-])=O)c1	1030
+c1cc(ccc1Oc2c(ccc(N)c2)[N+](=O)[O-])C=C	46
+C1CC1c2c(cc(c(Cl)c2)OC)N	365
+Nc1cc(cc(c1N)Br)Br	0
+c1c(c(c(nc1)OC)-c2nc3c(c(C)cc(c3)Br)[nH]2)I	1637
+c12c(c(OC)cc(c1)C#N)[nH]c(n2)Nc3ccccc3Br	1701
+c1(c(c(N)cc(Br)c1Cl)C(=O)OC)F	196
+O=Cc1cc(N)c(c(c1)OCC)I	39
+O=S(=O)(c1c([N+](=O)[O-])cc(cc1)C)Nc2cc(OC)cc3cccnc23	322
+c1cc(cc(c1CC)O)C(=O)C	606
+c1cc(ccc1Cc2c(c3c(nc2C)c(Cl)ccc3O)C)Cl	9752
+c1(-c2[nH]c3ccc(C#N)cc3n2)c(Cl)ccc([N+]([O-])=O)c1	622
+c12[nH]cnc1ccc(C#N)c2	631
+c1cc(ccc1C#N)-c2cccc(-c3[nH]c4c(cc(C#N)cc4)n3)n2	567
+c1cc(ccn1)-c2nc3c(o2)ccc(CCC)c3	1328
+c1(ccc(cc1C)-c2nc3cccnn3c2-c4ccnc(NC(c5cc(nc(c5)C)Cl)=O)c4)F	650
+CC(C)CCNC(=O)n1c2c(cc(Oc3cc(ncc3)N)cc2)cc1	2121
+COc1c(cc(cn1)C(=O)OC)O	4871
+Nc1cc(C(=O)O)ncc1[N+](=O)[O-]	1
+c1c(C(OC)=O)ncc(N)c1N	13
+c1ccccc1COC(N2CCCC(C2)C(Nc3cc(-c4ccccc4OC)ncn3)=O)=O	195
+c1c(NC(C)=O)ccc2OCc3n(cc(C(=O)OC)n3)-c12	26
+Nc1cc2c(cc1F)C3=CC(=O)CCC3(CCCC)C2	2992
+c1(ccc2N(C(Cc2c1)=O)C(CF)C)NCC(O)C(OC)=O	1967
+c1cc(ccc1Nc2c3c(-c4ccncc4)cn(c3nc(Nc5cc6CCC(=O)N(c6cc5)C)n2)S(=O)(=O)c7ccc(cc7)C)F	55
+c1ccccc1Cc2cc(C(NC3C(=O)N(C)c4cc(N)ccc4OC3)=O)no2	712
+c12c(cc(Nc3ncc(c(Nc4c(cccc4)C(=O)NC)n3)Cl)cc1)OCCNC2=O	55
+c1cc(ccc1C2C(=C(NC(=O)C2)C)C(=O)Nc3ccc4c(c(Cl)n[nH]4)c3)F	4662
+c12nc[nH]c1nc(nc2Nc3cc4c(CCC4)cc3)Cl	1185
+c1ccccc1COC(Nc2ccc3cc[nH]c3c2)=O	90
+CC(C)(c1ccccc1)Nc2nc(Nc3cc4scnc4cc3)nc(OCc5ccccc5)n2	360
+c1c(NC(C)=O)c(cc2C3=CC(=O)CCC3(CCCC)Cc12)F	26
+c12c(Cl)ccnc1[nH]c3ccc(cc23)NC=O	753
+O=S(=O)(Nc1ccc2c(cc(cc2)Oc3ccnc4cc(c(OC)cc34)OC)c1)c5cc(ccc5)C	69
+CC(Nc1cc2ccc(c(OC)c2c3cc(C)ccc13)OC)=O	26
+c12c(ccnc1Nc3cc4cccnc4cc3)c(Br)ccc2	201
+n1c2c(ccc1)cc(N=C=S)cc2	1034
+n1(ncc2c1ccc(c2)NC(Nc3cccc(Oc4ccnc(c4)C(=O)OC)c3)=O)C	4767
+O=S(=O)(c1ccc(cc1)C)n2ccc3c(Nc4ccc5cnn(c5c4)C)nc(nc23)Cl	1665
+c1cc(ccc1C(Nc2cc3ncccc3cc2)=O)-c4c(cccn4)Cl	67
+c1cc(ccc1-c2ccc(cc2Cl)N)Cl	11
+Fc1cccc(F)c1-c2nc(c(N)cc2)C(=O)OC	119
+Nc1c(nc(cc1)Br)O	104
+O=S(=O)(C)Nc1ccc(c(c1)Cl)C#N	80
+Nc1ccc(c2CCOc12)C(=O)O	1
+c1nc(ccc1)C(=O)c2ccc(c(N)c2)N	0
+n1ccc(C)cc1NC(c2ccc(N)c([N+]([O-])=O)c2)=O	330
+c1ccccc1COC(=O)c2c(cccc2)C(=O)c3ccc(c(c3)[N+]([O-])=O)N	470
+C(=O)(c1c(c(ccc1C)O)C)O	606
+c1c(NN)ccc(C)c1Cl	427
+Cc1ccc(cc1I)NN	427
+Cc1c(c(c(cc1)O)C)[N+]([O-])=O	606
+C(C#N)c1cc(N)c(cc1)N	0
+O=S1(=O)COCCN1c2ccc(c(c2)Cl)C(Nc3ccc(Cl)c(-c4ccc5ncccc5n4)c3)=O	67
+O=S(=O)(Cc1ccc(cc1O)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)C	67
+O=S(=O)(Nc1c(Cl)c(c(cc1)Cl)C(=O)O)CCC	80
+O=S(=O)(c1cc(C(Nc2ccc(c(Br)c2)F)=O)c(C)s1)Cl	1899
+c1c(ncc2c1c(ncn2)Nc3ccc(F)c(Br)c3)F	2212
+c1cc(ccc1C(Nc2cc(c(F)cc2)Br)=O)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl	67
+O1CCOC12Cc3sc4ncnc(Nc5cc(c(F)cc5)Cl)c4c3CC2	1500
+c1c(ccc(F)c1Cl)NC=O	753
+N#Cc1c(c2c(nc1)c(Cl)cc(c2)[N+]([O-])=O)Nc3cc(Cl)c(cc3)F	179
+C(Oc1noc(C(Nc2cc(Cl)c(F)cc2)=O)c1)CCBr	768
+c1(c([N+]([O-])=O)cc2c(Nc3cc(Cl)c(F)cc3)c(C#N)cnc2c1)OC	179
+c1ccccc1-c2cc3c(sc([N+]([O-])=O)c3Nc4ccc(F)c(c4)Cl)cc2	9753
+n1c(ccnc1Cl)Nc2cc(Cl)c(F)cc2	73
+c1(ccc(Cl)cc1C)-c2ccc(N)cc2Cl	134
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3CCCN(C3=O)c4c(Cl)cc(N)cc4	883
+c1ccccc1C#Cc2cc(ccc2N)[N+]([O-])=O	455
+CN(C)C=Nc1c(C#N)cc(cc1)[N+]([O-])=O	2275
+c1cc(ccc1N(CCCCCCO)CC)N=Nc2c(cc(cc2)[N+]([O-])=O)C#N	725
+C(O)c1ccc(N)cc1Cl	49
+c1(Nc2ccc(cc2C#N)F)c(Cl)cnc(Cl)c1	2272
+c1cc(ccc1)C(=O)c2c(N)ccc(c2)F	705
+c1c(ncnc1NC)Nc2c([N+]([O-])=O)cc(C(=O)OC)cc2	73
+c1(C=O)cc(c(cc1)Oc2ccc(N)c([N+]([O-])=O)c2)Cl	46
+Clc1cccc(Cl)c1COc2cc(c(cc2)N)[N+](=O)[O-]	22
+c1(ccccc1COc2cc([N+]([O-])=O)c(N)cc2)C(OC)=O	22
+CSCOc1ccc(N)c(N)c1	0
+c1cc2c(c3NC(Nc13)=O)OC(CO)CC2	2280
+c1cc(c(c2c1cccc2)[N+](=O)[O-])Nc3cccc(C#N)c3	230
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(c3nc4n(c3cc2)CCC4)C(OC)=O	69
+N(c1ccc2c(nco2)c1C)=C=S	1695
+N(=C=S)c1ccc2c(nco2)c1CC	1695
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(c3c(n4CCCc4c3)cc2)C(=O)OC	69
+c1c2c(cc(N)c1)c(c3cc(N)ccc3n2)O	0
+c1(c(c(ccc1)O)C)Br	606
+Nc1c(C(Nc2cccc(c2C)Br)=O)ccc(F)c1	1768
+c1c(c([N+]([O-])=O)c(C(Nc2cccc(c2C)Br)=O)cc1F)F	67
+c1cccc(N)c1C(Nc2cccc(Br)c2C)=O	67
+c1(cc(ccc1Nc2c(c(C(=O)OC)ccc2)C)F)[N+]([O-])=O	230
+c1cc(ccc1)C(Nc2c(Cl)c(ccc2)C)=O	50
+C1CN(CCN1C(C)C)c2ccc(cc2)-c3nc4cccc(Cl)c4c(n3)O	748
+c1(cccc(C(Nc2c(C(O)=O)c(ccc2)Cl)=O)c1)F	50
+O(C)c1ccccc1NC(=O)c2c(cccc2Cl)N	67
+Clc1c(SCCCCl)c(ccc1)NN	427
+O=Cc1c(N)cccc1F	39
+c1c(c(Cl)c(F)cc1)NC=O	753
+O=S(=O)(c1cc2c(Nc3cccc(c3F)F)c(C(N)=O)nnc2c(c1)C)C	9754
+c1ccccc1COc2cc3ncnc(c3cc2)Nc4[nH]nc(c4)CC(Nc5c(c(F)ccc5)F)=O	33
+c1cc(ccc1Oc2ccc(cc2)CNc3cccc([N+]([O-])=O)c3C)CCC(O)=O	208
+CC(C)(c1c(N)cccc1OC)O	1033
+Nc1c(C(=O)O)c(F)ccc1O	9755
+Nc1cccc(c1CO)OC	49
+Nc1cccc(c1C)C(=C)C	1707
+O=Cc1c(N)cccc1OC	39
+O=C(c1c2c([nH]c(-c3c(F)cc(-c4cc(ccc4)OC)cc3)n2)ccc1)O	622
+Nc1cccc(OC)c1N	0
+Nc1cc([N+]([O-])=O)cc2CCOc12	31
+Nc1cccc2NCC(Cc12)O	15
+c12c(cccc1NC(N2)=O)NC=3C(C(=O)C=3OCC)=O	1771
+c12OC(C)Cc1cccc2NN	427
+O=S(=O)(Nc1cccc2c(c[nH]c12)C3(CC)c4ccc(cc4CC3)F)CC	1374
+O=S(=O)(Nc1c2ccc(nc2ccc1)Cl)c3ccc(cc3)F	69
+N(Cc1cnccc1)c2cccc3ccc(Cl)nc23	9756
+O=S(=O)(c1cccc(C=CC(OC)=O)c1)Nc2c3c(ccc2)cccc3	69
+N(c1c2cccnc2ccc1)=C=S	1034
+n1[nH]c(nn1)-c2ccccc2Sc3ccccc3N	424
+CCOC(=O)c1c(C)n2c(c(N)ccc2)n1	9757
+c1cc(ccc1-c2nc3c(nccc3)nc2-c4ccc(cc4)C)C	9758
+C(C)OC(c1nc2c(nccc2)n1-c3ccc(c(F)c3)C#N)=O	9759
+c1ccccc1COC(=O)Nc2cccnc2O	950
+c1(cccnc1OCC(C)F)Nc2c3c(C)c(C(=O)OC)sc3ncn2	4359
+Nc1c(I)cnc(Cl)c1Br	583
+c1cc(ccc1-c2nc3ccnc(c3cc2-c4ccccc4)Cl)C5OCCO5	9760
+c1cc(ccc1F)N2C(=O)N=C(C=C2)N	9761
+c1(cnccc1NC(c2cnc3c(Br)cc(Cl)nn23)=O)F	466
+c1c(c(ccc1OC)CNc2ccncn2)OC	811
+c1cc(ccc1C(F)(F)C(Nc2c(scc2)C(=O)N)=O)F	4872
+C1CC(CCC12OCCO2)Nc3ccsc3C(OC)=O	2554
+c1cc(ccc1S(=O)(=O)Nc2ccsc2C(OC)=O)Br	3074
+c1ccccc1-c2ccc(cc2)C(=O)Nc3c(C(=O)OC)scc3	3453
+c1cc(ccc1)S(=O)(=O)Nc2ccsc2C(OC)=O	3074
+c1ccc2c(c1)C(=O)N(C2=O)C3C4C(C(CO4)Nc5nc(ncc5Cl)Nc6cn(nc6)C)OC3	486
+c1cc(ccc1C#N)-c2c(Cl)nc(N)cn2	356
+O=S(=O)(c1cnc(c(Br)c1)Cl)Nc2cncc(Cl)c2O	9762
+c1(c(F)c(ccc1)Nc2ccncc2NC(c3cccnc3F)=O)F	3052
+c1([nH]nc(NC(=O)C)c1)C	195
+C1(=O)c2ccccc2C(=O)N1c3cc([nH]n3)C	1765
+c1c(F)cc(cc1C2=CC(=O)Nc3cc(nn23)C)F	2950
+c1(c(F)cc(cn1)F)CNc2nc(Nc3n[nH]c(C)c3)c(cc2[N+]([O-])=O)F	4873
+O=S(=O)(c1nc(c(c(Nc2cc(n[nH]2)C)n1)F)Cl)C	349
+c1cc(cc(OC)c1F)C(c2nc(c3ccccc3n2)Nc4n[nH]c(C)c4)=O	349
+c1cc(ccc1F)C(=O)c2nc3sccc3c(n2)Nc4[nH]nc(c4)C	9763
+c1cc(ccc1C(c2nc3c(c(Nc4[nH]nc(C)c4)n2)cccc3)=O)F	349
+c1cc(ccc1F)C(Nc2c(cc(F)c(n2)Nc3cc([nH]n3)C)[N+](=O)[O-])C	4873
+FC(F)(c1nc(Nc2[nH]nc(c2)C)c3c(ccs3)n1)c4ccc(cc4)F	9764
+O=S(=O)(N1C2Cc3c(cnc4cc(nn34)C)C1CCC2)c5ccc(cc5)Cl	9765
+Cc1cc(Nc2cc(nc(SC)n2)Cl)n[nH]1	349
+n1c(ccnc1Cl)Nc2cc(C)[nH]n2	349
+n1c(c2cccnc2nc1Cl)Nc3cc(C)[nH]n3	9766
+c12cc(cc(OCCCl)c1c(Nc3cc([nH]n3)CC(=O)O)ncn2)OC	349
+c1c2c(ccc1OCCCCl)c(Nc3cc([nH]n3)CC(=O)O)ncn2	349
+[nH]1nc(cc1)NC(=O)C	195
+C1C(=Nc2ccnn2C1=O)C(=O)OC	9767
+n1(-c2c(Cl)nccc2)nc(cc1)N	9768
+c1(F)cccc(F)c1C(=O)Nc2[nH]ncc2	330
+c12c(cccc1)nc(Nc3[nH]ncc3)n2-c4nc(nc(N)n4)C	9769
+c1cc(ccc1)COC(N2CCC=3C(CC2)C(=O)n4c(ccn4)N=3)=O	1085
+c1ccccc1-c2c(nc(s2)N)-c3ccnc(n3)SC	2713
+c1c(cc(nc1C(=O)Nc2scc(C)n2)C)Br	9770
+C(ON=C(c1n(C)nnn1)c2cccc(SC)c2)c3nc(N)sc3	4874
+c1cc(ccc1)C(=NOCc2nc(sc2)N)c3cncn3C	4874
+Clc1cc(c(c(Cl)c1)Cl)-c2c(N)nc(Cl)cn2	356
+c1cc(ccc1OC(=O)C)C(Nc2scc(n2)SC)=O	548
+c1ccccc1CNc2nccc(c2)-c3c(-c4cc(C)ccc4)nc(N)s3	182
+c1(c(cc2NC(Nc2n1)=O)-c3c(cncc3)Cl)-c4c(cccc4)F	3100
+n1c(N)c(c(nc1-n2nc(Sc3ccccc3F)c4c2cccc4)N)NC(C)=O	1616
+n1c(N)c(c(nc1-n2c3ccccc3c(Sc4ccccc4F)n2)N)[N+]([O-])=O	4803
+Nc1nc(nc(N)c1N)-n2nc(c3ccccc23)Oc4ccccc4F	193
+c1cc(ccc1C(Nc2sc3CCCCc3n2)=O)Br	548
+n1c(O)c([N+](=O)[O-])c(N2CCc3c(CC2)sc(N)n3)nc1C	3698
+c1cc(ccc1)COc2cccc(C=CCN3CCc4sc(nc4CC3)N)c2	2613
+O(Cc1ncccc1)c2cc(C=CCN3CCc4c(CC3)nc(N)s4)ccc2	20
+c1cc(ccc1C(C(=O)Nc2sc3nc(OC)ccc3n2)CC4CCCC4)S(=O)(=O)CC(C)=O	373
+Clc1ccc(c(Cl)c1)-c2cnc(cc2C#N)N	89
+c1(ncc(Br)c(Cl)c1Cl)N	395
+Nc1ncc(Br)c(Cl)c1[N+](=O)[O-]	1026
+c1c(cc(c(N)n1)C#Cc2ccncc2C)Br	2281
+c1cc(ccc1-c2[nH]c3c(ncc(c3)Br)n2)-c4cnco4	2671
+C1C(CC1)c2c(OC)c(c(cc2)-c3cnc(N)c(C#N)n3)F	356
+c1c(N)cc(-c2nc(c(nc2)N)C(NC)=O)cc1	356
+c1c(Br)nc(c(n1)N)C(Nc2cccnc2)=O	1285
+c1cc(ccc1)NC(c2nc(cnc2N)Br)=O	466
+n1cc(Br)nc(-c2[nH]c3c(cccc3)n2)c1N	9771
+Nc1ncc(Br)nc1C(=O)O	1
+c1cc(ccc1-c2nc(c(N)nc2)C(=O)OC)S(=O)(=O)C	356
+c1cc(ccc1-c2cnc(N)c(n2)C(=O)OC)C(=O)N(C)C	356
+c1cc(ccc1)NC(n2c3ccc(cc3cc2)Nc4cc(ncc4C#N)N)=O	179
+c1(cccs1)COc2c(C#N)cnc(N)c2	2009
+Nc1ncc(CCC(=O)O)nc1Br	4
+Clc1ccc(c(-c2cc(cnc2N)Cl)c1)OC	796
+c1c2C(=O)N(C(=O)c2ccc1)c3cc(C)c(C)cn3	1765
+c1(c(ncc(c1)C(=O)OC)N)C#Cc2cccc(NC(c3occc3C)=O)c2	2281
+Nc1c(ncc(c1)C(=O)N)N	13
+Nc1c(ncc(c1)C(=O)OC)N	13
+CCOC(=O)c1cn2c(cc(Br)cc2)n1	1959
+Nc1ncc(Cl)c(Br)c1	395
+Nc1ncc(I)c(Br)c1	583
+c1cc(ccc1-c2cn3c(cc(cc3)Br)n2)OC	440
+N=C(c1ccnc(N)c1)NO	181
+OC(c1ccnc(N)c1)C	74
+c1ccccc1-c2ccnc3c2nc(-c4ccnc(c4)N)[nH]3	2245
+c1c(F)c(-c2cn3ccc(C)cc3n2)ccc1OCCCCl	440
+c1c(cc2c(OC(=CC2=O)c3cn4ccc(C)cc4n3)c1)Br	9772
+c1cc(ccc1-c2cn3c(cc(C)cc3)n2)Br	440
+Nc1ncc(I)c(Cl)c1	583
+Clc1cc(ncc1)Nc2ncc(-c3cncc(C(=O)O)c3)s2	1178
+c1cc([N+]([O-])=O)cc(F)c1Oc2ccnc(N)c2	242
+c1cc(ccc1N)Oc2cc(ncc2)N	242
+c1cc(ccc1[N+]([O-])=O)Oc2cc(ncc2)N	242
+Clc1cc(ncc1)Nc2ncc(-c3cncc(c3)Br)s2	1178
+Nc1ncc(I)c(F)c1	583
+c1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)cc(N)n1	46
+C1CCCCCC=2C(=O)N3C=CC(C(=O)OC)=CC3=NC1=2	9773
+Nc1nccc(c1)C(Oc2ccc(c3c2cccc3)N)C	0
+c1(C(=O)O)cncc(-c2cnc(Nc3c(Cl)cccn3)s2)c1	1178
+c1cc(ccc1-c2nc3c(cccn3c2)Cl)F	440
+c1cc(cc(F)c1C#N)Nc2c([N+]([O-])=O)cccn2	781
+O=S(=O)(Nc1nccs1)c2c(cc(cc2)Br)F	1140
+c1cc(ccc1Br)S(=O)(=O)Nc2sccn2	1140
+c1(F)cccc(F)c1N2C(=O)C=Cc3c(-c4c(C)ccc(C(=O)Nc5sccn5)c4)nc(nc23)SC	900
+n1c(cn2c1scc2)-c3ccc(cc3F)F	2952
+c1cc(ccc1)C(c2cc3[nH]nc(-c4ccccc4)c3cc2)C(C)(C)C(=O)Nc5sccn5	373
+c1ccccc1COc2ccc(cc2)C(C(=O)Nc3sccn3)CC4CCCC4	373
+c1cc(ccc1Oc2cc(cc(C(Nc3sccn3)=O)c2)OC4C(=O)N(C)CC4)-c5oc(C)nn5	900
+c1cc(ccc1)C2(CC(C2)C)c3cc(ccc3-c4nc5n(ccs5)c4)OCc6ccc7cc(ccc7n6)F	2952
+c1ccccc1COc2c(C#N)cc3c(Oc4cc(c(cc4)NC(=O)Nc5sccn5)F)ccnc3c2	9774
+c1cc(ccc1)OC(=O)Nc2nccs2	810
+Nc1ncn(CCCN)c1	51
+c1c(OC)c(c(cc1Cc2sc3c(cccc3)c2S(=O)(=O)Nc4c(Br)c(no4)C)OC)OC	4875
+O=S(=O)(c1c2c(nccc2)sc1)Nc3c(Cl)c(no3)C	4875
+c1n2nc(Br)sc2nc1	9775
+c1ccccc1COc2c3c(cc(Cl)c2)oc(-c4cn5nc(Br)sc5n4)c3	2865
+c1(C=O)nc(N)sc1C(=O)OC	1348
+c1ccccc1COc2c3c(cc(OC)c2)oc(c3)-c4nc5n(c4)nc(C(F)C)s5	2865
+c1cc(ccc1CNC(=O)c2sc(nc2C)N)Cl	454
+c1ccccc1CNC(=O)c2sc(nc2C)N	454
+C(C)OC(c1cn2nc(sc2n1)CC)=O	9776
+c1cc(ccc1)OC(Nc2nnc(CC)s2)=O	810
+c1cc(ccc1CCCCCCCCCCCC)S(=O)(=O)Nc2sc(CCCCCBr)nn2	1140
+c1ccccc1CS(=O)(=O)NC2=CC=C(N(CC(=O)NCC3CCc4c(C3)sc(N)n4)C2=O)C	9
+c12ccc(F)c(c1scn2)Br	3101
+c1cc(ccc1OC(=O)Nc2nc3c(cccc3)s2)[N+](=O)[O-]	810
+Nc1c(cc(C(=O)O)cc1)S	9777
+c1c(ccc2nc(N)sc12)O	5
+c1c2c(ccc1OC)ncs2	3101
+c1cc(ccc1)OC(=O)Nc2nc3c(cc(cc3)SC#N)s2	810
+s1c(C(Nc2nc3c(cccc3OC)s2)=O)ccc1C	9778
+c1(C)cc(C(=O)O)cnc1N2CCCC2COC	4876
+c1(cccc(C(=O)O)c1)NCCC(=O)O	459
+c12c(C)csc1ncnc2C(=O)O	876
+c1cc(ccc1C2CCC(CC2)CCCC=C)-c3ccc(cc3)C(O)=O	872
+c1cc(ccc1Br)-c2oc(C)c(n2)CC(O)=O	459
+c1cc(ccc1Cn2ncc(c2)C)C(c3cc(C(O)=O)cnc3)=O	4876
+c1cc(ccc1C(=O)O)CCCC=C	872
+c1cc(ccc1CN2N=CC(=C(C(O)=O)C2=O)C)OC	9779
+c1cc(ccc1COc2c(c(O)c(cc2)C(C)=O)CCC)C(O)c3cccc(C(O)=O)c3	872
+c1cc(ccc1CCc2ccc(cc2C(O)=O)F)F	872
+c1cc(ccc1F)Cc2nc(ccc2C3CC3)C(=O)O	876
+CC(C)(C(=O)O)c1ccc(cc1)OC	459
+c1cc(ccc1Oc2ccc(C)cc2CC(=O)O)C	459
+c1cc(ccc1)-c2ccc(c(C(O)=O)n2)C	876
+c1ccccc1C(c2ccccc2)N3CC(C3)C(O)=O	459
+c1nc(ncc1)-c2ccc(C)nc2C(O)=O	876
+O(c1c(ccc(C(=O)O)c1[N+](=O)[O-])OC)C	500
+O(c1c(O)cc(CC)c(C)n1)C	4871
+c1(C)cc(ccc1F)C(CC(CC=C)C(=O)O)O	1392
+C1CC(CCC12OCCO2)(c3cccnc3)C(=O)N	645
+c1(Br)cc-2c(cc1)C(C(c3ccc(cc-23)Cl)=O)=O	9780
+n1(CC)cc(c2ccc(cc12)C(=O)OC)C(=O)O	1725
+c12c(cnc(c1cccc2C)OC)C(=O)O	1725
+O=S(=O)(CC)c1ccc(cc1F)C(O)=O	500
+c1cc(ccc1CS(=O)(=O)NC)O	477
+O=S(=O)(c1c(Cl)ccc(c1O)[N+](=O)[O-])NC2CC2	1683
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1O)Cl)NCC	1683
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1O)Cl)N(C)C	1683
+O=S(=O)(C)c1cc(C(O)=O)cc(O)c1	477
+c1cc(ccc1S(=O)(=O)Nc2cccc(C3OC3)c2)-c4ccc(F)cc4F	3594
+O=S(=O)(c1cc2C3C(O3)Cc2cc1)C	9781
+O=S1(=O)CCCN1CC23CC4C(CC(C4)C2)(C(=O)O)C3	9782
+O=S1(=O)c2c(C(C)(C)CC1)c(c(cc2C)C(=O)O)Cl	2199
+O=S1(=O)c2c(C)cc(c(c2C(C(C)(C)C1)=O)C)C(=O)O	2199
+c1c(Cl)c(c(cc1C(=O)O)Cl)Oc2ccc(cc2)[N+]([O-])=O	820
+c1cc(c(F)cc1I)C(=O)O	820
+c1c(Br)c(cc(OC)c1F)C(=O)O	820
+c1cc(ccc1-c2cnccc2)C(O)=O	820
+c1cc(ccc1)-c2ccc(Br)cc2C(O)=O	820
+c1c(nc(c(F)c1)Br)C(=O)O	9783
+c1c(c([N+]([O-])=O)cc2C(CCc12)=O)NC(C)=O	1720
+c1c(NC=2C=3C(=O)N(CC(CO)O)N=C(C=3N(C(=O)C=2Cl)C)c4cccc(NC(C)=O)c4)c(F)cc(I)c1	3248
+c1c2c(CCc3ccccc3C2CC(CO)O)sc1	4877
+c1cc(ccc1CC(O)CO)Br	4877
+OB(O)CCCCn1cnc2c1nc(N)nc2O	9784
+c1(cccc(Cl)c1C(Cc2ccc(Cl)cc2Cl)C(O)=O)Cl	4431
+c1(c(cc(c(n1)-c2occc2)-c3ccncn3)C(=O)O)N	4878
+c1cc(ccc1-c2c(nc(O)c(c2)C(=O)O)-c3ccc(cc3)OC)OC	4878
+c1cc(ccc1OCCCCCCCCCC)-c2ccc(cc2)C(O)=O	4879
+c1ccc(cc1OC)CC2CCCCC2C(=O)O	1588
+c1ccccc1COc2cc(cc3nc(C)n(CCOC)c23)C(=O)O	4879
+S(C)c1ccc(O)cc1Cl	477
+[N+]([O-])(c1cc([N+](=O)[O-])c(F)cc1O)=O	1772
+c1(C(=O)O)cc(cc(N2CCCC2=O)c1)O	477
+c1(CCCC)[nH]c(c(Cl)n1)C(=O)O	9785
+c1(c(OC)c2ccccc2c(c1)OC)CCCC=O	3293
+c1(c(F)c(F)c(C=O)cc1)Oc2ncc(cc2)C(=O)N	4089
+C(O)c1c(F)ccc(Br)c1F	1555
+c1(F)c2c(c(c(C(=O)O)c1)OC)cccc2	500
+Clc1cc(c(cc1C(=O)O)[N+]([O-])=O)O	1772
+c1(OC)cc(ccc1[N+]([O-])=O)O	1772
+Ic1c(F)cnc(O)c1	2273
+c1(ccc(F)c(CC)c1Cl)C(=O)O	2199
+Nc1c(cc(cc1C)Br)C(=O)O	3562
+c12CCC(CC(OC)=O)c1ccc(c2C)C(=O)O	500
+C1Cc2c(c(ccc2)NC(C)=O)C1=O	1720
+c12cc(cc(C)c1ncc(Cl)c2)O	477
+c12c(cccc1)C(=O)N(C2=O)CCCCS(c3cc([N+](=O)[O-])cc(NC(N4CCCC4)=O)c3)=O	4880
+c1c(cc2c(c3C(CCCc3[nH]2)=O)c1)Br	9786
+c12c3c(ccc1cccn2)c(cc(n3)C=O)OCC	2282
+c12c3c(ccc1cccn2)c(OCCOC)cc(n3)C=O	2282
+o1c2c(cc(cc2)-c3noc(-c4ccc(c(OCC)c4)OCC)n3)cc1C(O)=O	9787
+c12ccc(cc1n[nH]c2)O	3472
+c1cc(cc(c1OC)C(=O)c2c(c(-c3cnccc3C)ccn2)F)F	9788
+c1c(Cl)c(c(cc1)Cl)C(=O)c2cc3c(cc2O)C(C(N)=O)=C3	9789
+c1(cc(cc(F)c1C(=O)O)C)F	500
+COc1c(c(cc(c1)F)O)[N+]([O-])=O	1772
+c1(cc(cc([N+](=O)[O-])c1)CCO)[N+](=O)[O-]	4881
+c1c(c(Br)nc(c1)C=O)OC	2282
+c1c(cc(Br)cn1)NC(C(=O)N)c2c(cccc2)Cl	645
+c12C(=O)C(Nc1c(cc(c2)Br)CC)=O	9790
+c1c(cc(cc1Br)O)C(=O)C	4882
+c1c(C(=O)O)cc(cc1Br)O	4882
+C(=O)c1c(cccc1)-c2cscc2	1483
+n1c2c(cc(c(C)c2)O)ccc1	2608
+c1c2c(c(nc(n2)Cl)O)ccc1OC	1173
+O=Cc1ccc(c2c1cccc2)CBr	1295
+c1c(I)cc([N+]([O-])=O)c(c1)C=O	1483
+Oc1c(cccc1)CC(c2sccc2C)N(C=O)C	477
+O=C(O)c1c(Sc2ccccc2O)cc([N+]([O-])=O)cc1	477
+Clc1cnc(cc1)COC2=CC(=O)[NH+]([O-])C=C2	9791
+Clc1cnc(cc1)COC=2CC(=O)[N+](=CC=2)[O-]	9792
+c1cc(ccc1)-c2ncc(cc2C=3C=CC(=O)N(C(C)C)N=3)C(=O)O	9793
+c1cc(ccc1)-c2c(CS(=O)C)c(c3c(cccc3)n2)C(NC(CC)c4ccccc4)=O	9794
+c1cc(ccc1)-c2cc(F)c(cc2)C(=O)O	500
+c1ccccc1-c2cccc(N)c2C(=O)N	1079
+c1cc(ccc1)-c2onc3c(CC(N)=O)cccc23	645
+c1ccccc1CC(O)C(=O)O	2631
+[N-]=[N+]=NC(CCCCOCc1cc(C)c(F)cc1)C(=O)O	9795
+c1cc(ccc1NC2(CCN(CC2)Cc3ccccc3)C(=O)N)F	645
+C1CN(CCC1(CO)O)Cc2ccccc2	9796
+c1cc(ccc1)COc2c(c(cc(O)c2)OC)[N+]([O-])=O	1772
+c1cc(ccc1C(O)=O)Oc2cc(cc(c2)OCc3ccccc3)C(OC)=O	500
+CC(C)c1n(Cc2ccccc2)c3cc(OC)ccc3c1C(=O)O	1725
+CC(C)c1n(Cc2ccccc2)c3c(ccc(C(OCC)=O)c3)c1C(=O)O	1725
+c1cc(ccc1-c2nc(N)c(C(=O)O)nc2C=3C=CC(=O)N(C(C)C)C=3)OC	4344
+c1cc(ccc1-c2oc3c(n2)c(C=O)ccc3)Cl	9797
+c1cc(ccc1-n2nccc2)Cc3c(C)c(C)c(C=O)c(C(OC)=O)c3	9798
+c1cc(ccc1C)C(Nc2cncc(Br)c2)C(N)=O	645
+c1cc(ccc1Br)C(C)(C(O)=O)N	4703
+c1cc(ccc1O)C2C(C(OCC)=O)N(C(=O)C2)C	477
+c1cc(ccc1C2=NCc3onc(C)c3-c4ccnc(O)c24)Cl	2273
+c1cc(ccc1CC(C(OC)=O)=C(C(=O)OC)C(C)C)C(=O)O	500
+c1cc(ccc1C=O)CC(O)=O	1483
+c1cc(ccc1CC(C(OCC)=O)OCC)CCO	4881
+c1cc(ccc1Cc2c(nn3c2nc(cc3C)C)CC)O	2608
+O=S(=O)(C)N(c1cc2nn(-c3ccc(cc3)Cl)c(C(=O)NC)c2cc1C4CC4)CCCC5CO5	9799
+c1cc(ccc1N2C(C(=Nc3c2cccc3)C(=O)N)=O)Cl	9800
+c1cc(ccc1F)C(=O)C2CCN(CC2)CCCCN3C(c4ccc(cc4NC3=O)[N+]([O-])=O)=O	9801
+c1cc(ccc1-n2nncn2)O	477
+c1cc(ccn1)C(c2c(ccc(Cl)c2)N)=O	9802
+c1cc(ccc1C#N)N2CC(C(=O)O)OC2=O	4670
+c1cc(ccc1OC(=O)C=CC)C(=O)O	500
+O=C(OCC)Cc1c2nc(ccc2ccc1Cl)C=O	2282
+c1cc(ccc1)-c2sc(C(=O)N)c(c2)N	9803
+c1ccccc1C(c2ccccc2)(C3CCNC3)C(=O)N	645
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)SCC(CC(CCCCCCC)C(O)=O)O	1392
+c1ccccc1C=2CCN(CC=2)CCCCc3c4c(ccc(C(N)=O)c4)[nH]c3	1079
+c1ccccc1C=2CCN(CC=2)CCCCc3c4c(ccc(C(=O)O)c4)[nH]c3	9804
+c1cc(ccc1)COC(c2[nH]c(C(=O)O)cc2)=O	9805
+c1ccccc1COc2ccc(cc2)C(N)=O	1079
+c1ccccc1COc2ccc(cc2F)-n3c4cc(F)cc(O)c4cn3	9806
+c1ccccc1COc2c3c(ccc2)c(O)cc(n3)C	4347
+c1cc(ccc1)S(C(c2c(ccc3c2cccc3)OC)CNC=O)=O	4880
+c1c2c(nc(nc2n(c1)C)Cl)O	4585
+c1c2c(nc(nc2cnc1)Cl)O	1173
+c12n(CC(=O)O)cnc1ccc(c2Cl)F	3402
+n1c(cn2c(cnc2c1SC)Br)C(=O)N	2782
+c1(c(Cl)nc(C)nc1O)C	1173
+n1c2c(c(O)nc1CCCC)cc(cc2)CO	1555
+n1ccc2c(nc(Cl)nc2c1-c3cc([N+]([O-])=O)ccc3)O	1173
+c1nc(ncc1)-c2cnc(cc2)O	2273
+c1(c(N)c(C)cc(-n2ncnc2)c1)C=O	1295
+n1sc2c(c1-c3cc(CO)ccc3)ncnc2O	1555
+C(c1sc(cc1)CCCCCC)(=O)O	3451
+COC(=O)C(C(OC)=O)c1ccc(cc1[N+]([O-])=O)-c2ccc(cc2)OC	11
+c1cc(ccc1)OC(=O)Nc2cc(c(C(CO)CO)cc2)F	9807
+O(C)C(=O)C(C(OC)=O)c1ccc(N)cc1F	0
+O(C(=O)C(C(OCC)=O)(Cc1ccc(cc1)N)C)CC	0
+c1cc(ccc1Br)CC(C)C(=O)OCC	2283
+C(OC(CCC(c1cccc2OCOc12)CCCCC)=O)C	4883
+C(O)C(CO)Cc1cccc(Cc2nc(oc2C)-c3ccc(cc3)C)c1	1257
+C(Cc1cc(ccc1[N+]([O-])=O)F)(OCC)=O	976
+c1cc(ccc1)COc2cc(CC(=O)OCC)cc(F)c2	976
+C(Cc1cc(C)ccc1[N+]([O-])=O)(OCC)=O	976
+c1cc(ccc1CCC(C(=O)OCC=C)CCC2(CC2)CC(OCC)=O)C(=O)OC	9808
+c1cc(ccc1)COc2c(c3c(cccc3)cc2)C(C(=O)OCC)O	22
+c1cc(ccc1Br)C(COC(C)=O)CO	9809
+c1cc(ccc1Cc2cc(Br)ccc2Cl)COC=C	9810
+C1=CC=C(C)N2C(C(Br)=C(N=C12)CO)=O	2502
+c1c2cccnc2c(CO)cc1	59
+C(=O)(OCC)c1nc(C#N)c2c(c(cn2Cc3ccc(F)c(F)c3)Cl)c1OC(=O)C	573
+c1cc(ccc1F)CNC2C(CCCC2)C(OC)=O	42
+c1cc(ccc1Cl)S(=O)(=O)NC2CCCCCC2C(OC)=O	71
+C1(C(CN(CCSc2c(ccc(F)c2)F)CC1)C(=O)O)CCC(=O)c3c4c(ccc(OC)c4)ncc3F	4
+c1(nc2c([nH]1)cccc2)CC(=O)OCC	9811
+C(CCCCC(O)C)(OC)=O	100
+C(O)CCCCC(=O)N(CCCCCCC)CC	95
+c1cccc(-c2cnc(CCCCC(OC)=O)o2)c1OC	4657
+c1cccc(-c2noc(CCCCC(OC)=O)n2)c1OC	2383
+C(CCCC(=O)O)CCC1C(CCC1OC2CCCCO2)C=O	4
+O(C(=O)CCCCCCCNC(=O)c1c(C)[nH]c(C=NN=C2c3c(ccc(F)c3)NC2=O)c1C)C	56
+c1cc(ccc1CN2c3c(N(C2=O)CCCCCCCC(=O)OC)cccc3)Cl	9812
+O=C(NCCCCCCCC(=O)O)c1c(C)[nH]c(C=NN=C2c3c(ccc(F)c3)NC2=O)c1C	4
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(NCCCCCCC(OC)=O)=O	14
+C(CCCC)C(CCC1CCCC(=O)N1CCCCCCC(OC)=O)O	460
+C1(N(C(=O)CCC1)CCCCCCC(OC)=O)C=CC(=O)CCCCC	1278
+N1(CCCC(=O)O)c2ccccc2C(NC1=O)=O	3
+c1cc(c(-c2coc(n2)CCCC(OC)=O)cc1)N	0
+c1cc(ccc1Cn2nc(c(CCC(OCC)=O)c2)OCC)OCc3csc(-c4ccccc4)n3	1944
+O(C)CCCc1cncn1Cc2ccccc2Br	21
+c12cnc(NC)cc1nc(C)c(-c3cc(NC(OC(C)=C)=O)c(F)cc3F)c2	2922
+c1cc(ccc1OC)N(C)c2nc(CNC(=O)OC(C)Cl)nc3c2cccc3	101
+c1cc(cc(Cl)c1)C2(c3cc(Cl)ccc3)C4C(C(=O)CC2)CN(C4)C(=O)OC=C	9813
+O=S(=O)(C)OC1CN(C(OCC=C)=O)C(COCCO)C1	66
+c1[nH]c2c(cc(cc2)NC(OCC=C)=O)c1CCNC(C)=O	90
+c1cc(ccc1OC)CSc2nc(C3=CCN(C(C3)CO)C(=O)OCC=C)cs2	9814
+Clc1ccc2oc(nc2c1)NCC3N(C(OCC=C)=O)CCCC3C	1527
+O=C(c1cc(-c2ccccn2)c(cc1Cl)Cl)O	1
+n1c([nH]c2ccccc12)C(O)=O	1
+c1([N+]([O-])=O)cccc(C(O)CO)c1	59
+c1ccccc1C(c2ccccc2)C(=O)N(CC)CC=CCOC(C)=O	2046
+c1[nH]c2nc(SC)nc(Cl)c2c1CCO	59
+c1cc(ccc1N2C(C)c3c(N(C2=O)c4cccc(C#N)c4)nc(nc3)Nc5cccc(CCOC(C)=O)c5)OC	55
+O(C(C)=O)CCc1cccc(N)c1	0
+O=S(=O)(C)OCCc1csc(CCOC(=O)C)c1	7
+c1([N+]([O-])=O)ccc(NC(C)=O)c(c1)O	173
+c12C(NC(=O)c3cc4c(cn3)cccc4)(C(=O)N(c5c(cccc5)F)c1cc(OC)cc2)CCC(O)=O	4
+O(C(CCCCC(c1sc(cc1)Cl)=O)=O)CC	9815
+C(CCCC(=O)c1c2ccccc2c(cc1)F)C(=O)OCC	214
+c1(nn(cc1)CCCCCCC(OCC)=O)-c2ccccc2O	338
+c1c(c(-c2nn(cc2)CCCCCCC(=O)O)ccc1)OC	3
+O(C(CCCCCNc1c(cnc2ccccc12)N)=O)CC	13
+c1ccc(OCCCC(OCC)=O)c(N)c1	0
+c1c(cc2c(c1)nc(cc2OCCCOc3c(nc(N)nc3N)CC)C)OCCCC(=O)O	3
+c1cccc2c(cccc12)Cn3c(nc4ccccc34)SCCCC(=O)OCC	1947
+c1(cc(cc(I)c1O)C(=O)c2c3ccccc3oc2CCC(OCC)=O)I	3102
+O(C(CCc1nc(ccc1O)CCCCC(=O)OC)=O)C	587
+c1cc(ccc1C=CCCCCOc2c(CCC(OC)=O)nc(CCCCC(OC)=O)cc2)OC	458
+O=S(=O)(C)CCC(Cc1cc(C#N)ccc1)(NC(OC)=O)C(=O)OC	991
+c1c(N)c(cc(OCC)c1OCC)C(OCC)=O	0
+O(C(c1ccc(Cn2c(CCCC)nc(Br)c2C=NO)c(F)c1F)=O)C	2513
+Fc1cc(C(Nc2cc([nH]n2)C(O)=O)=O)c(C)cc1F	6
+Fc1c(cc(c(c1)C(Nc2cc([nH]n2)C(O)=O)=O)Cl)F	6
+OB(O)c1c(SC)cc(cc1)F	422
+OB(O)c1c(F)cc(OC)c(OCC)c1	2284
+OB(O)c1c(CC)cc(cc1CC)-c2ccc(cc2)Cl	422
+OB(O)c1cc(F)cc(F)c1SC	422
+OB(O)c1cc(Br)ccc1C	2284
+O(C)B(OC)c1ccc(c(c1)OC)F	2159
+OB(O)c1cc(CC)c(cc1)OC	422
+c1cc(ccc1)-c2cc(ccc2B(O)O)OC	422
+c1cc(ccc1)COCC(c2ccc(B(O)O)cc2C)CF	422
+OB(O)c1c(OC)cc(cc1OCc2ccccc2)-c3oc(cn3)C	422
+c1cc(ccc1)Cc2cc(ccc2OC)B(O)O	422
+c1ccccc1C#Cc2ccc(cc2)B(OC)OC	2159
+O(C)B(OC)c1ccc(cc1)SC	2159
+OB(O)c1ccc(-c2ccc(cc2)CCCCCCCCC)nc1F	9816
+OB(O)c1ccc(cc1)CCCCCCCCC	422
+c1cc(ccc1-c2ccc(c(B(OC)OC)c2)Br)Cl	4369
+c1cc(ccc1F)-c2cc3c(OCO3)cc2B(O)O	422
+c1cc(ccc1CCCCCCCC)B(O)O	2284
+OB(O)c1ccc(cc1)OCC2CC2	2284
+COB(OC)c1ccc(OCCCCCC)nc1	9817
+c1ccccc1-c2ccc3n-4c5c(cc(cc5c3c2)-c6ccccc6)C(C)(C)c7cc(ccc-47)B(O)O	422
+c1ccccc1COc2c(cc(O)cc2CC)C	9818
+c1cc(ccc1)COc2cc(B(O)O)ccc2OCc3ccccc3	422
+OB(O)c1cc(c(F)cc1)Oc2ccccc2	422
+CC(C)c1c(cc(OC)c(B(OC)O)c1)F	493
+COB(O)c1cc(c(F)cc1)OC	493
+c1cc(ccc1SC)B(OC)O	493
+CC(C)(CC(=O)OC)c1ccc(o1)C	9819
+c1cc(ccc1)COc2cc(CC(OC)=O)cc(c2)Cl	1540
+O(C(=O)C(C(OC)=O)c1ccc(NC(=O)Oc2ccccc2)cc1F)C	90
+Clc1cc(CO)cc(c1)C(=O)OC	98
+C1CN(CCN1C(=O)Nc2c(cccc2)C(OC)=O)Cc3ccccc3	326
+O=S(=O)(N(c1ccccc1)C)c2cc(N3C(=O)c4c(cccc4)NC3=O)c(Cl)cc2	9820
+Cc1c(Br)cc2c(nc(o2)C)c1	2794
+c1cc(ccc1)Oc2c3c(c(c(n2)C)C)n(CCCCCCl)c(C)n3	730
+C1(C(c2cc(ccc2N1C(=O)C)C(=O)C)=C(OC)CCCC)=O	9821
+c1cc(ccc1-c2nn3C(NC(CCCC)=Nc3c2)=O)F	9822
+c1ccccc1C(CCCCCn2c3c4ccccc4ncc3nc2CCCC)=O	730
+c1ccccc1OCCn2c(CCCC)nc3cnc4c(cccc4)c23	730
+c1cc(ccc1)-c2nc(cc(Cl)c2)NC(CCC(=O)c3ccc(OCC)c(c3)OCC)=O	9823
+c1c(OC)c2c(c(C(=O)C(C)C(OC)=O)c1)ccc(CC)n2	1985
+c1cc(ccc1)COc2cccc3c2CCC(C(OC)=O)C3=O	1985
+c1cc(ccc1C(CC(=O)OC)=O)F	3963
+c1c2c(ccc(c2cnc1O)F)Br	4551
+O(C)C(OC)C(=O)NCc1c(ccc(Br)c1)F	248
+c1cc(ccc1)CSC(C(OC)OC)CN	157
+O(C)C(OC)C1(Oc2c(c(C)c(c(c2C)C)OCc3ccccc3)CC1)C	22
+O=S(=O)(C)c1cc(F)c2COC(Oc2c1)CBr	4884
+O1C(CBr)Oc2cc(cc(c2C1)F)Br	4884
+COC(OC)Cn1ncc2cc(ccc12)Oc3c(cc(cc3)F)C#N	1090
+COC(OC)COc1ccc(cc1)-c2nc3c(cc(C4=NNC(=O)CC4CC)cc3)o2	8
+c1cc(ccc1F)OCC(OC)OC	8
+COC(OC)Cn1ncc(c1)[N+](=O)[O-]	338
+n1c(C)ccc(c1F)C2=CN(C(NC2=O)=O)CCC=O	571
+n1n(cc([N+]([O-])=O)c1)CCC=O	571
+O(C)C(OC)CCn1nc2cc(ccc2c1)N	0
+c1cc(ccc1Oc2ccccc2)NC(=O)Nc3ccc4cn(nc4c3)CCC(OC)OC	124
+CC=CCN(CC=O)C(OCC)=O	571
+c1(sc(nn1)N2C(OC)CN(C2=O)C)C(C)Oc3cc(c(Cl)cc3)Cl	9824
+O(C)C(OC)CN(C1CCCCC1)C(CCOCCc2cc(ccc2)C=O)=O	1937
+O(C)C(OC)CN1C(C(NCc2cc(ccc2)Cl)=O)=C(C(=O)C(N)=C1)OCc3ccccc3	9825
+O(C)C(OC)CN1C(=C(OCc2ccccc2)C(=O)C(C(O)=O)=C1)C(NCc3cc(ccc3)Cl)=O	127
+c1ccccc1COC(NC2c3n(-c4c(cccc4)CC2)ccn3)=O	9826
+O(C)C(OC)CN(C(Nc1nnc(s1)C(Oc2cc(Cl)c(cc2)Cl)C)=O)C	1110
+CC(C)CC(C(=O)NCC=O)CS	571
+O(C)C(OC)CNC(=O)C(CC(C)C)CS	1113
+c1c2c(C)ccc(F)c2oc1	9827
+c1cc(N2N=C(C(=O)OC)C(=O)C(=C2)OC)c(F)cc1I	1181
+c1(c(Br)cccc1N2N=C(C(=O)OC)C(=O)C(=C2)OC)F	1181
+CN(C)C=C1C(=O)CCCC1=O	2509
+O=S(=O)(c1n(C)nc2cccc(O)c12)N=CN(C)C	9828
+CN(C)C=CC(=O)c1scc(Br)c1	277
+CN(C)C=CC(=O)c1c(cc(c(c1)Br)C)NC(C)=O	277
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	3964
+Clc1cc(cc(Cl)c1)C(C=CN(C)C)=O	277
+CN(C)C=NC(=O)c1cccc(Br)c1	2098
+CN(C)C=CC(c1cccnc1)=O	277
+CN(C)C=Nc1c(ccc(n1)C)C#N	9829
+CN(C)C=CC(=O)c1cccc([N+]([O-])=O)c1	277
+CN(C)C=CC(c1ccc(Cl)c(c1)CNC(C)=O)=O	277
+CN(C)C=C(C(OCC)=O)C(=O)c1c(cccc1)Cl	9830
+CN(C)C=CC(=O)c1cc(C)ccc1	277
+CN(C)C=CC(c1ccc(cc1[N+](=O)[O-])Br)=O	277
+c1cc(ccc1)C2=NN(C(C2=CN(C)C)=O)c3nc4ccc(cc4s3)Cl	2163
+c1cc(ccc1Br)C(=O)C=CN(C)C	277
+c1cc(ccc1OC)C(=O)C=CN(C)C	277
+CN(C)C=CC(=O)c1ccc(cc1)C(=O)NCc2cc(ccc2)OC	277
+c1cc(ccc1-c2nc3ccc(cn3c2)I)C(C=CN(C)C)=O	277
+CN(C)C=CC(=O)c1ccc(cc1)C(OC)=O	277
+c1cc(ccc1C(=CN(C)C)C(c2c(cc(cc2)Cl)Cl)=O)C	1773
+c1cc(ccc1C)S(=O)(=O)N(CC)c2cccc(C(=O)C=CN(C)C)c2	277
+c1cc(ccc1C(=CN(C)C)C(c2c(cc(cc2)Cl)Cl)=O)F	1773
+c1cc(ccc1C(=CN(C)C)C(c2c(Cl)cc(Cl)cc2)=O)Cl	1773
+CN(C)C=C(c1ccc(cc1)Cl)C(=O)c2c(Cl)cccc2	1773
+c1cc(ccc1F)-n2ncnc2-c3ccc(cc3)N=CN(C)C	2275
+CN(C)C=C(c1ccncc1)C(=O)c2ccc(cc2)OCc3nc4cccnc4cc3	1773
+CN(C)C=CC(=O)c1ccncc1	277
+CN(C)C=C1C(CCc2c1cccc2)=O	9831
+CN(C)C=C1C(N(c2sc3c(cccc3)n2)N=C1c4ccc(c(Br)c4)C)=O	2163
+CN(C)C=C1C(=O)N(c2sc3c(cccc3)n2)N=C1c4cccc(I)c4	2163
+c1ccccc1-n2ncc3C(N(c4ccc(cc4)Cl)C(c5ccc(cc5)C(C=CN(C)C)=O)=Nc23)=O	277
+c1ccccc1C(O)c2cc(C(=O)C=CN(C)C)ccc2F	277
+c1ccccc1COc2cccc(c2)-c3nc(N4CCOCC4)c(c(C=CN(C)C)n3)[N+]([O-])=O	9832
+c1ccccc1COc2cc(c(N3N=C(C(C(OC)=C3)=O)C(=O)OC)cc2)F	1181
+CN(C)C=CC(=O)c1cncnc1	277
+O=C(O)c1cc2c(c(F)c1Nc3ccccc3F)nco2	2577
+c1nc2c(cc(Cl)c(Cl)c2Cl)[nH]1	9833
+COC(OC)c1ccc(cc1OC)OCCCN=[N+]=[N-]	1416
+C1(c2cccc3cc(-n4cnnn4)cc(C(N1CCCC(=O)O)=O)c23)=O	1441
+c1(CC(=O)OCC)c(cccc1)-n2nnnc2	1441
+n1nncn1-c2cc(-c3ccccc3OC)cc(C(=O)OC)c2	1441
+n1c(c(ccc1)OC)-c2cc(-n3nnnc3)cc(c2)C(=O)OC	1441
+n1c(ccc(-n2nnnc2)c1)F	9834
+O(C)C(OC)c1ccc(c(c1)F)[N+](=O)[O-]	1416
+c1(Cl)c(cccn1)C(=O)OC	4654
+O(C)C(OC)c1c(Br)cnc(Cl)c1	1416
+c1cc(c(cc1CN2C(c3cc([N+]([O-])=O)ccc3N=C2)=O)Cl)Cl	9835
+Clc1c(Br)cc2c(c1)nco2	2577
+c12cc(Cl)c(cc1nc[nH]2)Sc3cc(C)ccc3	9836
+COC(OC)c1cccc(-c2nc(Cl)ncc2)c1	1416
+c12c(C(C(=O)N=C1O)=COC)cc(cc2)Br	9837
+c1cc(ccc1)COc2nc3c(cc2)[nH]cn3	9838
+c1cc(ccc1-c2nocn2)Oc3cc(cc(c3)OC(C)COC)C(=O)Nc4nn(C)cc4	3912
+COC(OC)c1ccc(cc1)C=CC(=O)O	1416
+c1cc(ccc1OCC)-n2cnc3cnc(Nc4cnn(c4)CCn5nccc5)nc23	2853
+c1cnccc1-c2c(-c3ccc(cc3)F)c4n(cnn4)c(NC(C)(C)c5ccccc5)n2	9839
+c1cc(ccc1-c2c(cc3c4n(cnn4)ccc3n2)-c5ccccc5)C6OCCO6	9840
+c1ccccc1C(CCCCCn2c3c(cnc4c3cccc4)nc2)=O	9841
+c1ccccc1CN2CCC(CC2)n3cnc4cccnc34	9842
+c1ccccc1Cn2c3cc(ccc3nc2)Br	9843
+COC(OC)c1c(CN(C(C)=O)CCN(C)C)cc2CCCNc2n1	58
+Clc1cccc(c1)-c2nc(Nc3c(ccc(C=O)c3)[N+]([O-])=O)sc2C(=O)N	1054
+c1cc(ccc1CO)C=O	1054
+O(C)C(OC)c1nc2c(cc1CN3CCN(C)CC3=O)CCCN2C(=O)Nc4ncc(c(c4)OC(C)C)C#N	2792
+CC(C)Oc1c(cnc(NC(=O)N2c3c(CCC2)cc(c(C=O)n3)CN4C(CN(C)CC4)=O)c1)C#N	4552
+O=C(c1cccc(OCc2cc3c(OCO3)cc2)c1C(O)=O)O	1
+c1c2c(c(C(=O)OC)ccc2)ncc1O	9844
+c1(cccc(C(OC)=O)n1)C(=O)O	1
+S1c2c(cccc2)C(N=C1c3nc(SCCCCC)ccc3)=O	2767
+c1cc(ccc1[N+](=O)[O-])-c2csc(-c3c(C)sc(c3)C(=S)OC)n2	9845
+c1cc(ccc1C2COCCC2=O)C#N	9846
+ClC1=NC=C(C(N1C)=O)O	9847
+COC1CCN(c2ccc([N+]([O-])=O)cn2)C1	43
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(C(N5CCC(OC)C5)=O)ccc4c(S(C)=O)c3	30
+C1=CC=C(C(=S)N1CCCC)O	3668
+N1(C=C(Br)C=C(C1=O)O)C	2285
+O(C)C=1C(=S)N(C=CC=1)CCCC	9848
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCNC(C4)CCOC	3935
+C(CCO)c1cncn1Cc2ccccc2Br	88
+c1(C(=O)O)c2c(nc(NC(c3cc(ccc3)C#N)=O)n2CCCOC)ccc1	1
+c12ccn(CCCOC)c1CC(c3c(Cl)cccc3)C4C2C(=O)NC4=O	4885
+O(CCN(CCOC)c1ccc(cc1[N+](=O)[O-])C(O)=O)C	34
+c1cc(ccc1)COC(CN(CCOC)CCOC)=O	303
+O(C)CCOC(=O)Nc1cccc(CO)c1	90
+c1(cc(ccc1)NC(=O)OCCOC)C=O	39
+c1c(N)cc(cc1)OCCOC	0
+C(COc1cccnc1)O	88
+c1c2n(ccn2)ccc1OCCOC	1935
+c1(occ(CO)n1)COC	9849
+c1c(OC)c(I)ccc1C#C	9850
+c1cc(ccc1C(C)(C)C#C)F	1596
+CO[Si](OC)(OC)CCCc1ccc(c(c1)OC)OC(C)=O	9851
+[nH]1c(cc2ccccc12)-c3nc(ccc3O)Cl	390
+c1(c(-c2sc3c(cccc3)n2)ccc([N+]([O-])=O)c1)O	5
+c1(OC)c(scc1C#N)-c2ccc3c(c2)CCCC3	268
+O(C)c1c(C(O)C)cc(Cl)c(C)c1Br	74
+COc1c(Br)c(c(Cl)cc1C(C)N2c3c(c(ncn3)N)C(C=C2)=O)C	9852
+c1(cc(Cl)c(F)c(Br)c1OC)C(C)Nc2c(c(ncn2)N)C#N	40
+O(C)c1c(Cl)cc[n+]([O-])c1C	341
+C(c1c(OC)c(cc(C(=O)OC)c1)OC)CC=O	24
+O(C)c1c(Cl)cc(c(F)c1[N+](=O)[O-])CO	41
+C(OP(OCC)(=O)Cc1cc(c(c([N+](=O)[O-])c1F)OC)Cl)C	590
+c1c(OC)c(cc(c1)C(=O)C)F	94
+c1(O)c(F)ccnc1Br	390
+O(C)c1c(N)c(F)cc(Cl)c1[N+](=O)[O-]	106
+c1cc(NC(CC(Nc2ccccc2OC)=O)=O)cc(c1Oc3ccnc4cc(sc34)-c5ncn(CCC)c5)F	4375
+O(C)c1c(NC(C)=S)cccc1	2718
+COc1cccc2sc(C)nc12	9853
+O(C)c1c(NC(OCC)=O)c(F)cc(c1N)Cl	0
+O=Cc1c(c(c(c([N+]([O-])=O)c1)O)O)Cl	5
+c1(OC)c(c(cc(c1CO)[N+](=O)[O-])OC)OC	41
+c1(c(cc(F)c(F)c1)OC)O	5
+O(c1c(c(ccc1O)OC)OC)C	2286
+c1c(CC=2C(=O)C(OC)=C(C(=O)C=2C)OC)c(c(C(=O)O)cc1)OC(C)=O	1450
+C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC	460
+O=S(=O)(c1cccc2cccnc12)n3cc(-c4ccc(c(c4)OC)OC)c5ccccc35	9854
+c1ccccc1CC(=O)N2N=C(c3ccc(c(OC)c3)OC)CC2	9855
+c1cc(ccc1)COc2c(cc(cc2C)C#Cc3cc(cc(c3C=O)OC)OC)C	455
+COc1cc(cc(OC)c1)C=C(C(OC)=O)c2ccc(cc2)Oc3ccc(cc3)C=O	46
+COc1cc(cc(OC)c1)C2=C(C#N)C(=O)Oc3c2ccc(N)c3	9856
+c1c(OC)cc(cc1C(O)c2cc(OC)ccc2)OC	257
+O(c1cc(cc(OC)c1)C=C(c2ccc(cc2)O)C(=O)O)C	3006
+c1c(OC)cc(cc1CCN)OC	157
+c1c(OC)cc(cc1NC(c2c(cccc2F)F)=S)OC	581
+O(C)c1cc(cc(OC)c1)Nc2nc(Nc3c(cccc3)S(=O)(=O)C)c(cn2)C(=O)O	6
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)Oc3cc(OC)cc(OC)c3	1505
+c1(OC)cc(cc(OC)c1C)C#N	274
+c1c(OC)c(c(cc1-c2c(C(Nc3c(cccc3)-c4sc(cc4)CC(=O)OC)=O)cccc2)OC)OC	50
+C1CN(CCC12OCCO2)Cc3ccnc(-c4cc(OC)c(c(OC)c4)OC)c3	171
+O(c1cc(cc(OC)c1OC)-c2nccc(CN3C(c4c(cccc4)C3=O)=O)c2)C	9857
+c1(OC)cc(cc(OC)c1OC)-c2cc(CO)ncn2	453
+c1cc(ccc1)C(=O)Nc2c(N=Cc3cc(OC)c(c(c3)OC)OC)ccc(N4CCCC4)c2	457
+c1cc(ccc1)C(Nc2cc(ccc2N=Cc3cc(OC)c(c(c3)OC)OC)C)=O	457
+c1(cc(cc(OC)c1OC)C=C(c2ccc(cc2)F)C(O)=O)OC	3006
+COc1cc(cc(OC)c1OC)C(c2cc3c(cccc3)s2)O	2991
+COc1cc(cc(OC)c1OC)C=CC(=O)OC	9858
+c1(OC)cc(cc(OC)c1OC)Nc2ccc(c(NC(C)COC)c2)C#N	230
+O(C)c1cc(cc(OC)c1OC)NC(=O)Cc2cc(NC(=O)c3c(-c4c(cccc4F)F)noc3C)ccc2	2965
+O(C)c1cc(cc(OC)c1OC)Nc2nnc(cn2)C(C)NC(=O)c3cccc(c3)Br	14
+c1c(OC)c(c(cc1Nc2ncc3n(c(nc3C)-c4cccc(Br)c4)n2)OC)OC	9859
+c1(OC)cc(cc(OC)n1)C=CC(OC)=O	9860
+c1ccc(cc1C(c2cccc(c2)OC)=CC3CCNCC3)OC	3039
+O(C)c1cc2CCC(Cc2cc1)c3c(NCC)cc(OC)cc3	15
+O(C)c1cc2N=C(N(C(=O)c2cc1OC)c3ccccc3Cl)CSc4ncnc5[nH]cnc45	3031
+c1(cc(OC)cc(c1C(O)=O)OC)N	4886
+c12cc(OC)cc(c1c(ncn2)Nc3cc(Cl)c(F)cc3)O	5
+O(C)c1cccc(OC)c1-c2cc(nn2CC(C)C)C(=O)O	6
+O(C)c1ccnc(C=O)n1	2287
+n1c2ccc(C#N)cn2c(-c3nc(ccn3)OC)c1	4887
+n1c2ccc(cn2c(-c3nc(ccn3)OC)c1)F	4887
+c1cc(ccc1)Nc2nccc(OC)n2	55
+O(C)c1cnc(c(Cl)n1)CO	1125
+n1c(cnc(Cn2ccnc2-c3cccc(F)n3)c1Cl)OC	2238
+c1(nc(nc(OC)c1)NC(NS(=O)(=O)c2c(C(=O)OC)cccc2)=O)OC	1722
+O(C)c1nc(nc(OC)c1N)NCCC(=O)OCC	193
+n1c(OC)c(c(nc1NCCS(=O)(=O)NC(C)C)OC)N	193
+c1cc(ccc1-c2ncc(OC)c(OC)n2)F	345
+n1c(c(cc(Br)c1)-c2c(N)cnc(OC)c2)F	3103
+Clc1ccc(c(c1)-c2cc(ncc2OCC)OC)C#N	1164
+O(C)c1ncc(c(CO)c1)F	49
+O(C)c1ncc(c(c1)C=O)F	39
+c1(c(cc(nc1)OC)C=CC(OC)=O)F	530
+c1c2c(cnc1O)[nH]c3c2cc(cn3)OC	104
+CCOC(=O)C1C2C1Cc3cc(O)ncc23	104
+c1ccccc1NC(c2ccnc(OC)c2)=O	67
+c1cc(ccc1Cc2c(OC3C(OC(=O)C)C(OC(=O)C)C(OC(C)=O)C(COC(=O)C)O3)cccc2)C(=O)N	9861
+O=S(=O)(N(OC)C)c1c(Cl)ccc(NC2=C(OCC)C(=O)C2=O)c1O	1771
+C=1(C(C(=O)C=1OCC)=O)Nc2ccc(C#N)cc2CC	1771
+c1cc(cc2c(ncnc12)Nc3cccc(c3)Br)NC=4C(C(=O)C=4OCC)=O	1771
+O(c1ccnc(O)c1)C	3045
+c1c(NCCOCCOCC#C)c(ccc1)[N+]([O-])=O	205
+c1(cc(c(OCC#C)c(C)c1)OC)C(=O)O	9862
+C1Cc2c(c(c(c(c2CC(=C)C)O)C)C)N1C=O	1625
+C(C)OCC(Nc1c(nc2c(cccc2)c1NCC#C)Cl)=O	308
+c1cc(ccc1F)-c2cc(CNc3c4c(ncc3NC(=O)COCC)cccn4)on2	308
+c1cc(ccc1F)-c2cc(CNc3c4ccccc4nc(Cl)c3NC(=O)COCC)on2	308
+C(C)OCC(=O)Nc1c(c2c(cccc2)nc1)Cl	308
+c1ccccc1CN(Cc2ccccc2)c3nc(c(C)c4c3nc(COCC)n4CC5(CCCCC5)O)C	546
+c1cc(ccc1)Oc2nc(c(C)c3n(CCOCCCc4sccn4)c(nc23)COCC)C	546
+c12c(ccs1)cc(cc2)CCOCCO	21
+C(OCc1nccs1)COC	21
+n1cccc(Oc2c([N+]([O-])=O)cc(c(NC(C)=O)c2)F)c1OCC(OC)=O	551
+O(C)CCOc1cccnc1	21
+O1c2c(NC(C1)=O)cc(Br)cn2	1530
+Nc1cccnc1OCC(=O)OC	13
+Nc1cccnc1OCC(C)F	13
+n1cc(Cl)nc(NC(C)COC)c1	464
+c1c(cc(c(c1)C#N)NC(C)COC)Br	60
+c1cc(ccc1C)-c2cc(cc(-n3nnnc3C)c2)C(=O)NC(COC)C	14
+O(C(=O)C(C(=O)CCl)=NOCC)CC	969
+O(C(=O)C(C(=O)CCl)=NOCCCCCCCC)CC	969
+c1cc(ccc1-c2ccc(cc2)NC(CCCC)=O)C(=O)CC(C(O)=O)C(=O)OCC	3
+O(CC)C(=O)C(C(OCC)=O)CC(c1ccc(cc1)-c2ccc(cc2)N)=O	0
+C(OC(CCc1c(Br)cccc1Cl)=O)C	4883
+c1(cc(ccc1[N+]([O-])=O)CC(OCC)=O)OC	976
+O(CC)C(=O)C(C)c1nc(Cl)ccc1	174
+O(CC)C(C(Oc1cc2c(cc1)ncc(I)c2)CC)=O	289
+O(CC)C(C(Oc1cc2c(cc1)ncc(c2)Br)CC)=O	289
+c1c(Br)c(ccc1)OC(C(OCC)=O)CCC	289
+O(CC)C(=O)C(CCCCC)c1cccc(N)c1	0
+c1cc(ccc1)C(c2ccccc2)C(N3CCC(CC3)CCn4cnc(C(C(=O)OCC)Cc5ccc(nc5)N)c4)=O	541
+C(Cn1c2nc(nc(Cl)c2nc1)N)C(F)CO	44
+c1(cc(-c2c(C#N)cc(cc2)C)cc(C(=O)OCC)c1)C(=O)O	1
+N1C=2N(c3ccccc13)C(=O)C(=C(C)C=2C#N)CCCCCC	3734
+c1c(F)c(c(cc1)F)COc2nc(C)cn3c(c(nc23)C)C(OCC)=O	9863
+Cc1nc(-c2ccc(C)cc2F)sc1C(=O)OCC	2242
+c1ccccc1COc2c3nc(c(n3cc(Br)c2)C(=O)OCC)C	1316
+n1ccnn1-c2c(cccc2)C(=O)N3CC(c4oc(C(=O)OCC)c(C)n4)CCC3C	9864
+CCC(C)C(C(=O)O)F	3
+Cc1nc(nc(O)c1C)-c2ccc(N)cn2	9865
+CC1CC(N(C1=O)Cc2cc(-c3scc(C)n3)ncc2)c4c(F)cccc4OC	1737
+C1COC(O1)(c2c(c(c(c(Cl)c2)F)I)OC(C)C(=O)OCC)C	3104
+c1cc(ccc1C(C(C(OCC)=O)(Oc2cc3c(cc2)nccc3)C)O)OCc4ccccc4	9866
+CC(C(=O)O)c1cc(C)c(cc1)C#N	3
+c1(c(N)ccc(C(C)C(OCC)=O)c1)C	0
+c1(ccc(C(C)C(OCC)=O)cc1O)[N+]([O-])=O	77
+O(CC)C(C(C)c1cc2c(ccc(N)c2)[nH]1)=O	0
+c1([N+]([O-])=O)ccc2c(cc(C(C)CO)[nH]2)c1	44
+CC(C(=O)O)c1ccc(nc1)C#N	3
+O(CC)C(C(C)c1cc(ccc1)O)=O	241
+c1(cccc([N+]([O-])=O)c1F)CC=2C(Oc3c(ccc(c3)O)C=2C)=O	9867
+O(CC)C(C(N1c2cc(c(C)cc2OCC1=S)Br)C)=O	199
+C(N1C=CC=CC1=O)(C(=O)O)C	3
+O(CC)C(C(N1c2cc([N+]([O-])=O)ccc2SCC1=S)C)=O	199
+c1c2c(ccc1OC(C(=O)O)CC)ncc(I)c2	3
+c1c2c(ccc1OC(C(=O)O)CC)ncc(c2)Br	3
+C(OC(CCC1=CC(=O)N(CCCC)C=C1)=O)C	9868
+c1[nH]c2cnc(cc2c1CCC(OCC)=O)-n3ncnc3	4888
+C(OC)CCOc1cc(CCC(OCC)=O)ccc1O	159
+Nc1c(C=CC(=O)O)cc(c(Cl)c1)OC	108
+C(OC(CCc1cc(c(c(c1)F)F)O)=O)C	159
+C(OC(CCc1ccc2c(c1)CC(CCC2)=O)=O)C	159
+C(OC(CCc1ccc(N)cc1F)=O)C	159
+c1c(OC)ccc(CCC(OCC)=O)c1F	159
+c1cc(ccc1)CN2CC(CC2)Nc3ccc(cn3)C=CC(=O)OCC	70
+C(OC(CCc1ccc(nc1)OC)=O)C	4888
+c1cc(ccc1)C(=O)c2ccc(C(=O)Nc3cccc(c3)C=CC(OCC)=O)o2	768
+O(CC)C(C=Cc1cccc(N)c1)=O	0
+C(OC(CCc1cccn1-c2ccc(C#N)cc2C)=O)C	1253
+O1CCOC1(CCCn2c(C)nc3cnc4c(cccc4)c23)C	1700
+C(c1cc2nc(C)n(c2cc1)CC)(=O)O	3615
+c12c(cc([N+]([O-])=O)cc1O)oc(n2)C	4889
+c12n(c(CCC)nc1c(C)cc(c2)-c3oc(C)nn3)Cc4ccc5c(CCc6c(C5=CC#N)cccc6)c4	2959
+O=C1N(c2ccc(c(c2)Cl)Cl)C(=Nc3c1cccc3)C	9869
+c1ccccc1-c2c3c(ccc(Br)c3)n4c(nnc4c2)C	9870
+c1ccccc1-c2cn3c(nnc3C)cn2	9871
+c1ccccc1COc2c3oc(nc3cc(-c4ncc(cc4)C=C5SC(=O)NC5=O)c2)C	4889
+c1cc(ccc1)Oc2c3nc(C)n(CCOC(C)=O)c3c(C)c(n2)C	1700
+c1cc(ccc1)Oc2c3c(c(C)c(n2)C)n(c(C)n3)CCOCCCc4cnccc4	1700
+O(CCn1c(nc2c3n(nnn3)c4c(c12)cccc4)C)CCCc5cccnc5	9872
+c1(C)c(cc(cc1)C(CC(OCC)=O)=O)Br	4890
+C(c1c(OC)ccc(c1)Oc2ccccc2Cl)(C#N)C(=O)OCC	4891
+c1c(-c2ccc3OCOc3c2)ccc4c1CCC(=O)C4C(=O)OCC	4892
+C(Cc1nc(Cl)ccc1)(OCC)=O	9873
+c1cc(ccc1C#N)-c2cc3CCC(=O)C(C(=O)OCC)c3cc2	4892
+c1cc(ccc1F)C(CC(OCC)=O)=O	4890
+CCOC(C(c1cccc(c1OC)Oc2c(F)cccc2)C#N)=O	4891
+c1ccccc1COc2ccc(cc2)C(C(=O)OCC)C(=O)OCC	9874
+C(OC(OCC)C(C)N(Cc1c2ncccc2ccc1)C(C(NC(CN(NC(NCc3ccc(cc3)Cl)=O)C)=O)C)=O)C	207
+c1cc(ccc1)CNC(=O)NOCC(=O)NC(C(=O)N(Cc2c3ncccc3ccc2)C(C)C(OCC)OCC)C	207
+CCOC(OCC)CCNCC1OCCO1	132
+O(CC)C(OCC)COc1ccc(N)cc1Cl	0
+Cc1c2c(ccc1)ccs2	9875
+c1cc(ccc1)-c2cnc3c(C(=COCC)C(=O)N3)c2	4841
+C(OC(OCC)P(CC(c1ccc(cc1)OC)CN)(=O)OCC)C	157
+O=S(=O)(N)N1CCN(CC1)c2cncc3cc(oc23)C=O	2084
+O=Cc1cc2c(o1)cc(cc2)C(=O)OC	2084
+O(CC)C(c1cccc(-c2ccccc2-c3cc(ccc3OCc4ccccc4F)Cl)n1)=O	22
+c1cc(ccc1F)COc2c(cc(Cl)cc2)C=3CCCCC=3c4nc(ccc4)C(=O)OCC	22
+FC(F)(c1c(Br)cc(CN(S(=O)(=O)c2ccccc2)Cc3ccc(cc3)C(=O)OC)cc1)P(OCC)(O)=O	228
+O(CC)P(OCC)(C(F)(F)c1ccc(cc1Cl)CN(S(=O)(=O)c2c(C(=O)N)cccc2)Cc3ccccc3)=O	692
+O(CC)P(OCC)(C(F)(F)c1c(cc(cc1)CN2C(c3ccc(cc3)S(=O)(=O)C)=CN(C4CC4)C2=O)Br)=O	9876
+O(CC)P(OCC)(=O)C(F)(F)c1c(Br)cc(CN(S(=O)(=O)c2ccccc2)Cc3ccc(cc3)C(=O)OC)cc1	692
+O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCNC(=O)c1ccccc1	93
+O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCNCc1ccccc1	162
+C1CC(CCC12OCCO2)=CC#N	1573
+c1c(cccc1[N+]([O-])=O)C(=CC#N)c2cc(c(OC)cc2)OC	2719
+S(c1ccc2CCCC(=CC#N)c2c1)C	2011
+c1c2c(ccc(F)c2oc1)C=CC#N	2368
+c1c(c(ccc1C=CC(=O)NC2c3c(CC2)cccc3)-n4cc(nc4)C)OCC	2632
+C(OP(OCC)(Cc1cc(C#N)ncc1)=O)C	1303
+O(CC)P(OCC)(NC1CNCCC1Cl)=O	62
+O(CC)P(OCC)(=O)NC1C(Cl)CCN(c2ccncc2N)C1	13
+O(CC)P(OCC)(c1ccc2c(C(=O)OCC)nn(c2c1)CC(=O)N3CC(F)CC3C(NCc4c(c(Cl)ccc4)F)=O)=O	348
+C1CC1N2C(=O)N(Cc3ccc(C(F)(F)P(OCC)(=O)O)c(Br)c3)C(c4ccc(cc4)S(=O)(=O)C)=C2	228
+O=S(=O)(N(Cc1cc(Cl)c(cc1)C(F)(F)P(=O)(O)OCC)Cc2ccccc2)c3c(C(=O)N)cccc3	228
+C(OP(OCC)(=O)CCN=[N+]=[N-])C	310
+C(C)OP(OCC)(=O)CCNC1CCN(CC1)Cc2ccccc2	132
+C(C)OP(OCC)(=O)CCc1cc(C#N)ncc1	1303
+O(CC)P(OCC)(CCCNc1cc(Cc2ccc(cc2)F)cnc1C(=O)OCC)=O	839
+C(C)OP(OCC)(CCCN=[N+]=[N-])=O	310
+c1cc(ccc1C)S(=O)(=O)OCCCCCP(OCC)(OCC)=O	36
+O(CC)P(OCC)(CCCCCO)=O	59
+O(CC)P(OCC)(CCOCCN=[N+]=[N-])=O	310
+O(CC)P(OCC)(CCOCCN)=O	18
+C(C)OP(OCC)(=O)COCCCOn1c2c(nc1)c(nc(NC=O)n2)Cl	1876
+c1cc(ccc1CP(O)(=O)OCC)C(=O)c2ccccc2	228
+c1(noc(C=Cc2ccccc2OC(C)OC)c1)CC	9877
+C(C)OP(OCC)(=O)c1cc2c(c(C(O)=O)nn2CC(=O)N3CC(CC3C(NCc4c(F)c(ccc4)Cl)=O)F)cc1	6
+CCOP(OCC)(c1ccc(cc1)[N+]([O-])=O)=O	9878
+O(CC)P(OCC)(CCCCCOC(=O)C)=O	1586
+CCOP(OCC)(Cc1cc(ccc1)Oc2ccc(cn2)C)=O	1060
+C(OP(OCC)(=O)Cc1c(cccc1)Br)C	590
+C(OP(OCC)(=O)Cc1c(O)ccc(C=O)c1)C	1060
+CCOP(OCC)(Cc1cc(Br)c(c(Br)c1)Oc2cc(C(C)C)c(cc2)O)=O	590
+c12c(C(=O)N(C1=O)CCCCCCCCCCCCP(OCC)(OCC)=O)cccc2	1586
+CCOP(OCC)(Cc1cc(C#N)ccc1)=O	590
+CCOP(OCC)(Cc1cc(ccc1)Oc2ccc(Br)cn2)=O	1060
+CCOP(OCC)(=O)C1C(N2C(CCC2c3cc(F)c(cc3)F)CC1)=O	9879
+C(C)OP(OCC)(=O)Cc1ccc(cc1)C#N	590
+C(C)OP(OCC)(=O)Cc1ccc(cc1)C#N	1060
+O(CC)P(OCC)(Cc1ccc(cc1)C(=O)c2ccccc2)=O	590
+C(C)OP(OCC)(Cc1ccc(cc1)OCC2(CCCCC2)C)=O	590
+c1cc2c(cc1)n(c3c2cccc3)CCCP(OCC)(OCC)=O	1586
+c1cc(ccc1OP(OCC)c2ccccc2)OC	9880
+COc1cc(OCC)c(cc1)C(=O)O	6
+O(CC)c1c2c(cn(C)c2ccc1F)CC(=O)O	4
+c1ccccc1CNC(=O)Cc2cn(c3ccc(c(OCC)c23)F)C	9
+c1cc(OCC)cc2CC(Nc12)=O	1290
+O(CC)c1cc(cc(OCC)c1-n2cccc2)C=O	39
+O(CC)c1ccc(CC)c(c1)O	165
+c1ccccc1COc2c3c(nc(N)n2)n(CC4C(CC=CC4)COC(=O)C)cn3	637
+O(CC1C(CO)CC=CC1)C(=O)C	59
+c1(cc2NC(=O)COc2cc1)N3CC(CC3=O)COCOC	654
+c1ccccc1COc2c(cc(OCC3OC3)cc2)C(C)=O	22
+c1cc(ccc1OC)CC(C)(C)NCC(O)COCC=C	122
+c1c(c(O)c(Cl)cc1)CC=C	423
+c1cc(ccc1)Cn2c3c(c(OCC(=O)OCCBr)ccn3)cc2C	9881
+c1cc(ccc1C)-c2c(c(CC(C)C)nc3ccc(cc23)OCCOC(=O)C)C#N	8
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCOC(=O)C)c(cc45)OC)C)C	8
+C(OCCN1Cc2ccc(OCc3cccc(F)c3)cc2CC1)C	28
+C(CON=C(C(=O)C)C(OCC)=O)OCC	1071
+c1ccccc1CNCCCCCCOCCC#C	132
+c1c(cccc1CCCCOCCCCCCBr)NC(N)=O	213
+C(O)CC1n2c(cc(I)c2)C(NC1)=O	665
+c1cc(ccc1I)-n2nnc3cnc(Cl)nc23	3105
+c1cc(ccc1-n2nnc3c2nc(Cl)nc3)OC	3105
+c1cc(ccc1OCCOC)-n2nnc3c2nc(Cl)nc3	3105
+c1(ccc(C)n1-c2cc(C)c(c(CCCCCCCCCCOCOC)n2)OCc3ccccc3)C	3008
+C1(OCCCCCCCCCCCOCc2ccco2)CCCCO1	176
+c1cc(ccc1)COc2cc(OCCCCCCCCCCCCCCCCCC)cc(C(=O)OC)c2	22
+c1cc(ccc1)CC(=O)C=CC2N(CCCCOCC(=O)OC)C(CCC2)=O	1278
+O(CCCCN1C(=O)CCCC1C=O)CC(OC)=O	24
+c1cc(ccc1C(C)C)CNCCCOCC	42
+c1cc(NC(=O)OCCCl)ncc1Br	278
+c1(cc(cc(C)c1-c2cc(ccc2)C=O)OCCOCC)C	72
+c1cc(ccc1CC(OCC)=O)NC(=O)COCCCl	26
+O(CCSC(=O)C)Cn1c2ncccc2nc1	4893
+COCCN(CCOC)c1c([N+](=O)[O-])cc(-c2onc(-c3ccccc3OC)n2)cc1	910
+c12c(C(=O)N(C1=O)CCN3C(=O)C(C(NCCOCC)=O)=C(O)c4c3cc(cn4)Cc5ccc(cc5)F)cccc2	1112
+O(CCN1C(c2ccc(Cl)c(N)c2C=C1)=O)C(C)=O	0
+C1(=NCCc2ncccc2)C(N(C(=CN1)Cl)CCOC(C)=O)=O	9882
+O(CCN1Cc2n(nc(N)c2)CC1)C	161
+C(COCC(=O)NCCOCCOCCOCCN=[N+]=[N-])(=O)O	206
+Fc1cc(cc(F)c1Oc2ccc(cc2)S(=O)(=O)NCCOCCOCCOCCN=[N+]=[N-])C=C(C)C(=O)OCC	71
+c1cc(ccc1[N+](=O)[O-])C=Cc2cnc(OCCOCCOCCO)cc2	91
+c12n(COCCOC)c(nc1c(c(Cl)c(Cl)c2)Cl)Cl	9883
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCCOC)C	36
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C	1293
+c1ccccc1CSc2c(cc(cc2)[N+]([O-])=O)CCOC	607
+n1(c(nnn1)Br)CCO	59
+O(COC)c1ccc2ccc(nc2c1C#N)CO	453
+O(Cc1c(ccc([N+]([O-])=O)c1)C(=O)O)c2cccc(NC(C)=O)c2	1
+O(Cc1cc(N)ccc1Cl)c2cccnc2	0
+O(Cc1cc(N)ccc1Cl)c2cnc(cc2)F	0
+C(O)c1ccc(Br)c2oc(nc12)C	88
+C(O)c1ccc(c2c1cn(C)n2)F	88
+O(Cc1ccc(cn1)F)c2cc(c(cc2)CC[N+](=O)[O-])F	364
+O(Cc1cccc(F)c1)c2cc3c(cc2)CNCC3	162
+n1c(COC2COCC2)cccc1CN	421
+O=C1N(CCO1)c2ccc(NC(=O)N(OC)C)cc2Cl	2083
+c12OC(C)Cc1cccc2NNC(=O)N(OC)C	2452
+c1cc(ccc1)CN(Cc2ccccc2)C3COc4c(C3)c(-c5cnc(c(C(=O)NC)c5)OC)ccc4	156
+O(c1c(CO)cc(F)c(C)n1)C	382
+O=C(c1cccc(OCc2cccc(F)c2)c1C(=O)OC)O	1
+c12c(cccc1)C(=O)N(C2=O)CCCCCCCCOc3c(cccc3)C	1656
+c12c(ccnc1cccc2)NCCCCCCCCOc3c(C)cccc3	105
+c1ccn(c1)-c2cc(c(nc2C)OC)CC	9884
+O(c1c(CC)cc(c(C)n1)C(=N)NO)C	3106
+CCc1c(O)nc(C)c(c1)-c2cccs2	104
+CCc1c(O)nc(C)c(-c2ncon2)c1	104
+O(c1c(cc(F)cn1)C=O)C	200
+O(c1c(Cl)ncc(CO)c1)C	382
+O(c1c(Cl)ncc(CSC)c1)C	9885
+c1(cc(CNc2nc(ccc2)F)cnc1OC)F	4894
+c1cc(ccc1Cl)CNC(C2=CN(c3nc(c(cc3C2=O)I)OC)C)=O	3757
+O(c1c(I)cc2C(C(=CN(C)c2n1)C(=O)O)=O)C	108
+Clc1cnc(c(c1)Nc2c([N+]([O-])=O)cc(C)c(Cl)n2)OC	1970
+n1ccc(NC(C)c2ncc(cc2)F)nc1Nc3cccnc3OC	949
+O(c1c(OC)cc2c(c(ncn2)Nc3cc(ccc3)Br)c1)C(C)=O	73
+c1cc(ccc1F)Nc2c3c(ncn2)cc(c(OC(C)=O)c3)OC	73
+c1(cc(ccc1)Nc2c3cc(c(OC)cc3ncn2)O)Br	173
+c1cc(ccc1C(=O)O)CNc2nc(ccn2)-c3ccc(c(OC)c3)OC	4775
+c1(c(O)c(ccc1)C(=O)C)OCC=C	1691
+c1ccc(OCCC)c(N)c1	0
+O=S(=O)(Cc1cccc(OCCCCl)c1[N+]([O-])=O)c2c3c(ccc2)cccc3	1177
+O(c1c(c(CCC=C)cc(C)n1)CN)C	388
+O(c1c(c(cc(C)n1)C(CC=C)C)CN)C	388
+c1ccccc1CN2N=C(C(C(OC)=C2)=O)Cl	9886
+O(c1c(N)cc(CC)c(C)n1)C	13
+O(c1c(C(=O)O)cc(F)cn1)C	3070
+c1ccccc1S(=O)(=O)n2cc(c3cc(Br)cnc23)Cc4c(nc(cc4)NCc5c(ncc(c5)F)OC)F	4894
+O=C(c1c(c(c(cc1)OC)OC)N)O	0
+O(c1c(cccn1)CO)C	269
+c1cc(ccc1-c2ccc(cc2)Br)OCc3cccnc3OC	20
+O=C(N)c1c(O)nc(F)cn1	3107
+O=S(=O)(c1ccc(cc1)C)n2ccc3c(cnc(OC)c23)Br	9887
+n1ccc2n(cc(I)c2c1OC)C(CC)COC	9888
+c1cc(ccc1-c2nn3cc(OC)ccc3c2C(=O)c4nc(ccc4)C(=O)OC)F	9889
+c1cc(ccc1)NCC(=O)N2C3C(CCC(NC(=O)Nc4ccc(F)c(F)c4)C3)(CC2)c5ccc(OC)c(c5)OC	1391
+c1cccc2C(=O)N(C(c12)=O)CC(c3c(Cl)cc(cn3)OC)=O	9890
+O=S(=O)(Nc1ncc(Cl)cc1OC)c2cc(cnc2)Br	4895
+O=S(=O)(c1cnc(Cl)c(Br)c1)Nc2ncc(Cl)cc2OC	4895
+c12c(cccc1)C(=O)N(C2=O)CCCCCCCCOc3cc(ccc3)F	1656
+c1(ccc(NC(C)=O)cc1O)[N+]([O-])=O	173
+C1Cc2c(NC1=O)c(cc([N+]([O-])=O)c2)O	173
+O(c1c(cc(c(F)c1)N)F)c2ccnc(c2)NC(=O)CC	0
+c1(cc(cc(OC(=O)C)c1)C=Cc2ccc(cc2)OC(CCl)=O)OC(=O)C	9891
+c1c(OC)cc(cc1-c2cc(c(cc2F)[N+]([O-])=O)C3OCCO3)OC	1435
+c1(OC)cccc(c1)C(c2cccc(OC)c2)=CC#N	3099
+c1(OC)cc(cc(OC)c1)C=2C(N(C)c3cc(Cl)ncc3C=2)=O	9892
+c1cc(ccc1C(Nc2cc([nH]n2)CCc3cc(OC)cc(OC)c3)=O)N4CC(N(C)CC4)C	9893
+O(C)c1cc(cc(OC)c1)CCc2[nH]nc(NC(c3cnc(nc3)N4CCCN(CC4)CC)=O)c2	9894
+O(C)c1cc(cc(OC)c1)Nc2nc(Nc3c(cccc3)S(=O)(=O)C)c(cn2)C(=O)OCC	73
+c1(OC)cc(cc(OC)c1)OCC(O)=O	3
+COc1cc(cc(OC)c1C(=C)C)OC	1707
+O(C)c1cc(cc(OC)c1OC)-c2nccc(CN)c2	45
+C1CC(CCN1Cc2cc(ncc2)-c3cc(OC)c(c(OC)c3)OC)Nc4cc5c(cc4)OCO5	231
+c1(cc(cc(OC)c1OC)C(N)=S)OC	581
+O(c1c(C(=O)c2c(ccc(Br)c2Cl)OC)c(cc(c1OC)OC)C)C	222
+c1(OC)cc(cc(OC)n1)CO	49
+COCCOc1cc(cc(OCCOC)c1)CCl	438
+O(c1cc2c(cc1)C(O)CCC2)c3ncc(cc3)C(=O)N	74
+N1(c2c(Cl)cccc2)c3cc(OC)cc(-c4ccccc4Cl)c3CCC1=O	11
+c1cc(ccc1Br)Oc2c3CCC(c3c(cc2)F)Oc4ccc5c(c4)OCC5CC(OC)=O	472
+c1cc(Oc2cc(NC)ncn2)cc3CCCNc13	1352
+O(c1cc2nc[nH]c2cc1)CCCCCCCCCCCCN=[N+]=[N-]	310
+O(c1ccnc(CCC)c1)C	174
+C1c2c(ccc(OC)c2CC1)OCC(=O)c3sccc3	702
+c1ccccc1CNCc2cc(Br)ccc2Oc3c(OC)ccc(CC(=O)OCC)c3	42
+c12n(ccn1)c3ccccc3c4c2cc(cc4)Oc5cccc(c5)Oc6ccccn6	754
+c1c(N)cc(Oc2cnc(cc2)Cl)cc1	106
+c1c(OC)c(c(cc1)OC)C(CC)C	564
+c1c(Oc2cccnc2C#N)cc(F)cc1	9895
+c1(ccccc1OC)OC(CNCCCc2c3cc(ccc3[nH]c2)F)C	463
+O(c1cccnc1)c2cc(OCCOC)c(nc2)NC(=S)n3cncc3	9896
+NC(Nc1ncc(Oc2cccnc2)cc1OCCOC)=S	9897
+O(c1cccnc1Br)CC(=O)O	4
+O(C)C1=CC=CN2C1=NNC2=O	9898
+c1cc(ccc1Br)CN2C=CC=C(OC)C2=O	4896
+c1cc(ccc1-n2cc(nc2)CNC(c3sc(cc3)Cl)=O)N4C(C(OC)=CC=C4)=O	9899
+c1cc(ccc1)CN2C(C(=CC=C2)OC)=O	4896
+O(CC(=O)OC)c1c(O)cccn1	2156
+O(C)c1sc(C(=O)O)cc1	9900
+O=C(NC)c1c(C)nc2n1ccc(O)c2	5
+O(c1ccn2c(c1)nc(C)c2C(=O)O)C	6
+O(c1ccnc(-c2cnn(C)c2)c1)c3cnc(cc3)N	161
+O(c1ccnc(-c2oc(nc2)C)c1)c3cnc(cc3)N	161
+c1(-c2nccc(OC)c2)cc([N+]([O-])=O)ccc1	119
+c1cc(ccc1-c2cc(OC)ccn2)F	119
+n1ccc(Oc2cnc(cc2)[N+]([O-])=O)cc1NC(C)=O	1153
+c1cc(ccc1)CN2C(C=C(OC)C=C2)=O	9901
+c1cc(ccc1)Cn2c3c(cc2C)c(ccn3)OC	1836
+O(c1ccnc2c1cc(C)[nH]2)C	9902
+c1c(c(-c2nc(OC)c(c(c2)N)[N+](=O)[O-])ccc1)Cl	140
+Nc1ccc(OCC)nc1NC	13
+O(c1ncc(CO)cc1[N+](=O)[O-])C	382
+O(c1ncc(cc1[N+](=O)[O-])C=O)C	200
+O(c1c(N)cc(Cl)cn1)C	13
+Fc1cc(c(F)cc1C)-c2ccc(nn2)OC3CCN4CCCC3C4	519
+NC(=O)c1c(NCc2cnn(C)c2)nc(Nc3cccc(c3)NC(C)=O)nc1	9903
+O1CCOC12CC3CCOc4c(cc(C)c(N)c4)C3(CC)CC2	2471
+c1(cc(cc(F)c1-c2c(c(nnc2C)-c3c(cccc3)F)-c4cc(OC)cc(OC)c4)F)F	9904
+c1cc(ccc1-n2c(c(Cl)nc2C)-c3c(F)c(C#N)ccc3F)Cl	4778
+c1cc(ccc1C23Cn4c(C(=O)N2CCN3)ccc4C)OC	9905
+c1cc(ccc1N2C(=Nc3c(cccc3)C2=O)c4cnc(C)cc4)C5CCCC5	4650
+Cc1ccc2nc(C)ccc2c1[N+]([O-])=O	9906
+c1ccccc1COc2c3n(cc(c2)C)c(c(n3)C)C(OCC)=O	4788
+C1CC1C(c2cccc(c2)O)CC(=O)O	9907
+C1CC(C(C)O1)Sc2c3ccccc3ncc2I	1275
+Cc1cc(cc(C)c1)OCC(O)C	626
+c1cc(ccc1[N+](=O)[O-])Oc2c3c(cc(OCC(O)C)cc3)ncc2	626
+C(O)(C)Cn1c2c3c(CCCc3n1)cc([N+]([O-])=O)c2	4411
+c1ccccc1COc2cc(ccc2)C3(CC(OCC3)C)O	251
+c1(ncnc2[nH]cc(c12)-c3cc(ccc3)C#N)N4CCOC(C)C4	778
+C1CC(CCN1CC(O)COc2nccnc2Cl)N3CCN(c4ccccc4)C3=O	170
+O1C(COc2c(cccc2)C=Cc3cc(no3)CC)C1	8
+O1C(COc2c(NC(=O)N)cccc2)C1	8
+c1(C=O)cccc(OCC2CO2)c1	8
+c1(cccc(OCC2CO2)c1)Br	8
+c12ccc(F)cc1c3c(n2CC4CO4)cc(F)cc3	935
+c12c3ccc(F)cc3n(c1cc(F)cc2)CC4CO4	935
+c1c(c(N)ccc1Oc2c3cc(C#N)c(OCC4CO4)cc3ncc2)F	8
+O(CC1CO1)c2ccc(c(C(=O)C)c2)O	8
+c1ccccc1-n2c3ccccc3c(c2N4CCN(CC5OC5)CCC4)C=O	28
+c1ccccc1C(=O)Nc2c(cccc2)OCC3CO3	8
+c1cc(ccc1)CCCCCCCCOCC2OC2	176
+c1cc(ccc1Br)OCC2CO2	8
+c1cc(ccc1OCC2CO2)Nc3ncnc(c3)Nc4cccc(c4)C	8
+c12c(cccc1)c3c(cccc3)n2CC4OC4	935
+O1C(COc2ccccc2-c3ccc(Cl)nn3)C1	8
+c1cc(cc(c1)C)Nc2ncnc(Nc3cc(ccc3)OCC4OC4)c2	8
+c1cc(ccc1CC)OCC(CC)O	626
+C(C(=O)O)COc1cccc(Cl)c1Cl	4602
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CCC3CO3)CC2)=O)=O	638
+O=S(=O)(c1ccc(cc1)CNCC(O)CCC)C	122
+c1c(ccc(c1C(OCCCCCCCCOC(C2CCCO2)=O)=O)O)O	9908
+O1C(CCC1CCCCCCCC(=O)O)CCC(O)(CCCCC)C	736
+O1C(CCCCCCCC(=O)O)CCC1CCC(CCCCC)=O	4
+O(CC1OC1)c2c(cccc2)OC	72
+C(COc1cccc(C=O)c1)(CCl)O	626
+c1cc(ccc1)-c2cc(C(=O)CCc3cc(C)c(c(C)c3)OCC4CO4)sc2CC	72
+c1cc(ccc1)COc2c(ccc(C3=CC(c4c(O3)ccc(OCC5CO5)c4)=O)c2)OCc6ccccc6	72
+c1cc(ccc1)COc2cc(cc(OCc3ccccc3)c2)C4=CC(c5ccc(cc5O4)OCC6OC6)=O	72
+c1cc(ccc1-c2nc3c(ccc(c3)OCC4OC4)o2)C#N	72
+c1cc(ccc1OCC2CO2)C(=Cc3ccc(F)c(c3)C)C(OC)=O	72
+c1cc(ccc1OC)C=2C(=O)c3ccc(cc3OC=2)OCC4CO4	72
+c1cc(ccc1C2(C(N(C)c3c(S2)cccc3)=O)C#N)OCC4CO4	72
+c1cc(ccc1OCC2CO2)C=3C(c4c(OC=3)cc(OC)cc4)=O	72
+C1CCC(C1)OCCOc2ccc(cc2)OCC3OC3	72
+O1C(COc2c3c(ccc2)[nH]c4c3cccc4)C1	72
+c12c(cccc1)CCc3c(cccc3)N2CC4OC4	9909
+c1ccccc1-c2cc(C(=O)CCc3cc(C)c(c(C)c3)OCC4CO4)sc2C	72
+c1cc(ccc1NC(NCC2OCCN(Cc3ccc(Cl)c(Cl)c3)C2)=O)Oc4ccccc4	282
+c1cc(ccc1OCC(O)CO)CCCCO	626
+c1ccccc1COCC2OC2	149
+c1ccccc1COC(NCCCCc2ccc(c3ccccc23)OCC(O)CO)=O	626
+c1cc(ccn1)OCC2CO2	1175
+Nc1c(ncnc1NC2COC(CO)C2)Cl	40
+O=S(=O)(c1ccc(cc1)C)OCC2OCN(C2)c3cc4N=C5N(c6c(cc(F)cc6)C5=O)C(=O)c4cc3	36
+O=S(=O)(OCC1CNC(=O)CO1)c2ccc(cc2)C	36
+c1cc(ccc1C=2CCN(C(=O)OCc3ccccc3)CC=2)N4CC(OC4=O)CO	1774
+C1C=C(c2ccc(N3CC(CO)OC3=O)cc2F)CCS1	1774
+c1(N2CC(CO)OC2=O)ccc(N3CC(N(CC3)C)=O)c(F)c1	1774
+c1(N2CC(CO)OC2=O)ccc(N3CC(N(CC3)CCOC)=O)c(F)c1	1774
+c1(N2CC(CO)OC2=O)ccc(N3CC(N(CC3)CC)=O)c(F)c1	1774
+O=S(=O)(c1ccc(cc1Cl)Cl)NCCCCNCC(COC)O	122
+c1cc(ccc1C)S(=O)(=O)n2c3ncc(cc3c(-c4ncc(c(NC5CCCN(C5)CC(O)COC)n4)F)c2)Cl	170
+C(CNCC(COc1c2c(ccc1)[nH]c3c2cccc3)O)COc4c(Cl)cc(cc4)C5=NNC(CC5)=O	122
+C1CN(CCN1Cc2ccccc2)CC(O)COc3cccc4[nH]c5c(cccc5)c34	170
+c1cc(ccc1)CN2CCC(CC2)NCC(O)COc3cccc4c3c5c([nH]4)cccc5	122
+c1ccccc1CN(CC(O)COc2cccc3[nH]c4c(cccc4)c23)CCOc5c(cccc5)OC	170
+c1cc(ccc1)C(c2ccccc2)OCC3CCN(CC3)CC4(C)Oc5c(C4)c(C)c(N)c(C)c5C	28
+O=Cc1c(ccc(c1OC)OC)O	805
+c1(ccc2c(c1)COC2=O)NCCCl	15
+C1(CCO)OCCc2ccccc12	21
+c12c(C)cccc1c(ccc2C(=O)N3CC4OCC3C4)OC	30
+O=S(=O)(c1ccc(NC(CCCc2ccc(cc2)B(O)O)=O)cc1C#N)CC	9910
+CC1(C)COB(OC1)c2c(cc3c(c(c[nH]3)C(OC)=O)c2)Cl	734
+CC1(C)COB(OC1)c2c(Cl)cc3c(c2)cc[nH]3	734
+C1OB(OCC1(C)C)c2cc([N+]([O-])=O)cc(c2)F	734
+C1OB(OCC1(C)C)c2cc(N)c(cc2)-n3nccc3	734
+O1CC(COB1c2ccc(cc2)C3CCN(C(=O)OC)C3)(C)C	734
+C1OB(OCC1(C)C)c2ccc(cc2)OCCN3CCOCC3	734
+C1OB(OCC1(C)C)c2ccc(cc2)OCCO	734
+C1OB(OCC1(C)C)c2cc(-c3cccnc3)ccc2	734
+OCCC1COc2c(cccc2)O1	88
+c1cc(ccc1-c2c(cc3c(c(C=O)c[nH]3)c2)Cl)C4CCN(C(=O)OC)C4	749
+OCC(CO)(NC(CCl)=O)c1cc(ncc1)Br	1192
+c1c(C)c(c(cc1-c2nc(on2)-c3sc(C)c4C5C(Cc34)C5(C)C)C)OCC6COC(OC6)(C)C	20
+CC1(C)OCC(CO1)c2ccc(cc2)Oc3c(C)c(ncn3)OC4CCN(CC4)c5ncccn5	185
+O1CC(COC1(C)C)c2ccc(cc2)Oc3ncnc(c3[N+]([O-])=O)Cl	185
+O1CC(COC1(C)C)c2ccc(cc2)O	16
+CC(C)c1noc(C2CCN(CC2)c3ncnc(Oc4ccc(cc4)C(CO)CO)c3[N+]([O-])=O)n1	1192
+O1CC(COC1(C)C2CCC(CC2)=O)(C)C	86
+C1OC2(CCC2)OCC1COc3c(C)c[n+]([O-])c(c3C)C	857
+C1OC2C(COC2C1N=[N+]=[N-])N	18
+NC1Cc2c(OC1)c(F)ccc2C(=O)N	157
+O1CC2(COC1(OC2)C3CCC(CC3)C#C)CCC	9911
+C(N(C)C1CCOc2cccnc12)c3nc4cccc(F)n4c3	4675
+c1c(cc2c(noc2c1)OCC3CCO3)Br	9912
+c1ccccc1[Si](c2ccccc2)(OCC3C(O)CCCO3)C(C)(C)C	328
+C1OC(C(Nc2cc(ccc2Nc3c(c(C(=O)OC)ccc3)C)F)=O)CC1	1294
+C1CCOC1Cn2c3cccc(Cl)c3cc2	339
+C1CCOC1COc2cccc(Br)c2	20
+C1CCOC1COc2c(ccc(n2)C(=O)O)Br	91
+c1cc(ccc1C(Nc2nc(OCC3OCCC3)cc(n2)Nc4cnccn4)C)F	145
+C1OC(CCC1)Oc2cc(O)c(C=O)c(Cl)c2	1136
+C1OC(CCC1)OCCCCBr	219
+Cc1c(cnn1C2CCCCO2)Br	1738
+C1CCCC(n2cnc3c2nc(nc3Cl)C)O1	3673
+c1(OC)cc(cc(OC)c1)-c2ncc3c(nn(c3c2)C4CCCCO4)I	580
+C1OC(CCC1)OCC2CCc3cc([N+]([O-])=O)ccc3O2	219
+n1(nc(cc1[N+]([O-])=O)C(=O)OC)C2CCCCO2	1738
+C1OC(CCC1)OCC2Oc3c(cc(cc3CC2)F)[N+]([O-])=O	219
+n1c2cc(cc([N+]([O-])=O)c2cn1C3CCCCO3)Br	4897
+c1(C=O)cccc(c1)OC2OCCCC2	1136
+c1(cc2n(C3CCCCO3)ncc2cc1Br)F	580
+C1CCCC(O1)n2cnc3c2cc(cc3C)Br	3108
+C1CCCC(n2c3c(c(Cl)c(cc3)Br)cn2)O1	580
+C1CCCC(O1)n2cnc3c2cc(Cl)nc3C#N	3108
+C1CCCC(O1)n2cnc3c2ccc(Br)c3Cl	3108
+C1CCCC(n2c3ccc([N+]([O-])=O)cc3c(C=O)n2)O1	580
+C1CCCC(n2c3cc(ccc3cn2)CBr)O1	580
+C1CC=COC1n2nc(c3c2cccc3)Br	9913
+C1OC(CCC1)OCCc2nc(ccc2)Br	219
+c1(Cl)cncc(Cl)c1COC2OCCCC2	219
+c1cc2n(C3CCCCO3)nc(C(N(OC)C)=O)c2cc1I	580
+O1CCCCC1Oc2ccc(OC)c(OC)c2	1136
+n1c2c(cc(c(Br)c2)O)cn1C3CCCCO3	4897
+c1c(cc2c(c1)n(C3CCCCO3)nc2C(=O)OC)Br	580
+c1c(cc2c(c1)n(C3CCCCO3)nc2)Br	580
+C1OC(CCC1)Oc2cc3ccc(Cl)nc3cc2	1136
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c(n(C4CCCCO4)nc3)cc2Br	580
+c1cc(ccc1)C(OCC(COC2CCCCO2)C)=O	219
+c1ccccc1C(C)(COC2OCCCC2)CCCCCN	219
+c1ccccc1C(CCCCBr)(C)COC2OCCCC2	219
+c1cc(ccc1)COc2cc(C(OCC)=O)nc(COC3CCCCO3)c2	219
+c1cc(ccc1Cl)-c2c(sc(c2)Br)COC3CCCCO3	219
+c1cc(ccc1Br)C(C)CCOC2CCCCO2	219
+c1cc(ccc1C)S(=O)(=O)OCCOCC(OC2OCCCC2)c3ccc4sccc4c3	219
+c1cc(ccc1C2C(c3ccc(Cl)c(F)c3)=C(C)c4c(O2)ccc(c4)OC5CCCCO5)I	1136
+c1cc(ccc1CC(=O)c2c(cc(cc2)OC3CCCCO3)O)F	9914
+c1cc(ccc1CCOC2CCCCO2)Br	219
+c1cc(ccc1F)-c2nn(C3OCCCC3)c4ccc(cc24)Br	580
+c1cc(ccc1I)OC2OCCCC2	1136
+c1cc(ccc1N(CCCCCCOC2CCCCO2)CC)Br	219
+c1ccccc1COc2cc(COC3OCCCC3)ccc2I	219
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3ccc4c(n(nc4C(OCC)=O)C5OCCCC5)c3	580
+C1OC(CCC1)OCCn2c(nnn2)Br	219
+C1CCCC(n2cc(cn2)Br)O1	1738
+C1CCCC(n2cnc(-c3c(c(c(Br)s3)C#N)Br)n2)O1	9915
+O1CCCn2c1c(C(=O)C)cn2	9916
+c1cc(ccc1F)-c2oc(C)c(CC(NCC3CN(C(c4cc(Cl)c(Cl)cc4)=O)CCO3)=O)n2	9
+c1(cc(C#N)ccn1)-c2cn(CC3CN(C)CCO3)cn2	871
+c1cc(ccc1F)N2CCN(CC2)C(OCC3CN(C)CCO3)=O	2078
+c1cc(ccc1C)OCCNC(=O)C	9917
+O=Cc1cc(cc(OC)c1OCOC)N2CCOC2=O	2663
+N1(CCOC1=O)Cc2cc(ccc2Cl)Br	9918
+c1cc(ccc1N2CCOC2=O)C(CCC(CCC(=O)OCC)=O)=O	2663
+c1cc(ccc1)CN2CCOC(C2)CCC#N	171
+C1C(CC1)c2ccc(c(F)c2OC)-c3cc4OCCNc4nc3	89
+Brc1cc(cc(Br)c1OC)C(=O)N2c3ccncc3OCC2	448
+c1([N+]([O-])=O)cccc(-c2cc3c(OCCN3)nc2)c1	89
+c1(cc(cc(Br)c1O)C(N2c3c(nccc3)OCC2)=O)Br	3002
+O=S1(=O)CCCN1CC23CC4CC(C2)C(C(C)=O)(C3)C4	97
+C1(=O)CCC(=O)N1OC(CCC2(OCCO2)C)=O	884
+O1CCOC1(C)CCCNc2c(cnc3ccccc23)N	13
+C1COC(O1)(C)CC(Cc2ccccc2)N	45
+C1CC1(O)CC(c2cc(ccc2F)Br)=O	1367
+O1CCOC1(CCOc2c(C)c(ncc2)COC(=O)C)CCC	174
+O1CCOC1(CCOc2ccnc(CO)c2C)CCC	59
+c1cc(ccc1C(=O)c2ccc3c(c(cc(O)n3)-c4cccc(c4)OC)c2)Cl	4898
+O1CCOC1(C)c2cccc(C(CCON=C(c3nc(C)ccc3)C)O)n2	3214
+O1CCOC1(c2oc3c(c(ccc3OC)N)c2)C	0
+O1CCOC12CCC(C2CCCCCCCO)C=O	9919
+C(O)CCCCCCC1C(CCC1C=CC(C(C)CCCC)=O)=O	97
+O1CCOC12C(CCCCCCCO)C(CC2)C=CC(O)C(CCCC)C	1565
+C(O)CCCCCCC1C(CCC1=O)C=CC(O)C(CCCC)C	97
+c1cc(ccc1CNC2CCC3(OCCO3)CC2(C)C)OC	87
+O1CCOC12CC(c3cc(c(cc3F)C(=O)O)F)CC2	595
+C1CC2(CCC1c3cccc(F)c3)OCCO2	191
+C1CC2(OCCO2)CCC1c3cc(F)c(cc3)F	191
+CC(C)Oc1cc(c(cc1[N+]([O-])=O)C)C=2CCC(CC=2)=O	9920
+C1(CCN(C)C(CC1)=O)=O	97
+O1CCOC12C(CCCCCCCO)C(C=CC(=O)C(CCCC)C)CC2	9921
+c1cc(ccc1C(C#CC2(CCC3(CC2)OCCO3)O)O)C	4019
+C1COC2(O1)CCC(CC2)(NC(=O)OCc3ccccc3)C	3791
+C1COC2(CCC3(CC2)C(O)=C(c4c(ccc(c4)Br)C)C(=O)N3)O1	997
+O1CCOC12CCC(CC2)(C(=O)OC)NC(Cc3cc(ccc3C)Br)=O	726
+C1CC(CCC1=O)(OC)C	97
+C1CC(CCC1=O)(OC)c2c(Cl)cccn2	97
+c1cc(ccc1F)C2(CCC(CC2)=O)OC	97
+O1CCOC12CCC(c3cc(F)c(F)cc3F)=CC2	252
+C1COC2(O1)CCC(CC2)(c3ccc(cc3)Br)CO	21
+C1CC(CCC1=O)(c2cnc(cc2)C#N)O	97
+O1CCOC12CC=C(CC2)c3cc(F)ccc3	252
+c1cc(ccc1CC2CCC3(CC2)OCCO3)F	1028
+c1cc(ccc1)CC2CCC3(CC2)OCCO3	1028
+C1COC2(CCC(CC2)O)O1	100
+C1COC2(CCC(CC2)(C)O)O1	736
+O1CCOC12CCC(CC2)(c3c(cc(c(F)c3)F)F)O	251
+C1CC(CCC12OCCO2)(O)c3cc4c(OCO4)cc3	251
+C1CC(CCC12OCCO2)(c3ccc(O)cn3)O	938
+C1COC2(O1)CCC(CC2)NC(C)c3ccccc3	87
+C1COC2(CCC(CC2)Nc3ccnn3Cc4ccccc4)O1	1270
+C1CC(CCC12OCCO2)=CCC(C)C	9922
+O1CCOC12CCC(CC2)=Cc3ccc(cc3)F	9923
+c1cc(ccc1C2(CCC3(OCCO3)CC2)O)F	1035
+O1CCOC12CCC(CC2)(c3ccc(nc3)F)O	1239
+O1CCOC12CCC(CC2)Nc3ccccc3O	231
+C1COC2(O1)CCC(CC2)=Cc3ccccc3Cl	9924
+C1COC2(CCC(CC2)Nc3[nH]cnn3)O1	1478
+C1COC2(CCC(CC2)C=O)O1	578
+C1COC2(CCC(CC2)CO)O1	44
+O=S(=O)(C)c1ccc(cc1Cl)C(C(OC)=O)CC2CCC(CC2)=O	97
+C1CC(CCC1=O)Cc2c(cccc2)Cl	97
+C1CC(CCC1=O)c2cc(c(F)cc2F)F	97
+C1CC(CCC1=O)c2cnc(N)c(-c3cc(c(C(NCc4ccccc4)=O)cc3)F)n2	97
+O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3	191
+C1CC2(CCC1=O)CN(CCCC)CC2	97
+c1cc(ccc1CCN2CCCC3(OCCO3)CC2)OC	28
+O1CCOC12CCCNCC2	215
+C1CN(CCC1=O)c2ccc(Cl)c(c2)OC	97
+c1cc(ccc1N2CCC(CC2)=O)Br	97
+c1cc(ccc1N2CCC(CC2)=O)C(=O)O	97
+O1CCOC12CCN(CC2)c3ccc(cc3)C(=O)O	6
+C1CN(CCO1)Cc2ccc(cc2)N3CCC(CC3)=O	97
+c1cc(ccc1N2CCC3(CC2)OCCO3)NS(=O)(=O)c4ccc(cc4)NC(C)=O	69
+O1CCOC12CCN(CC2)c3ccc(cc3)N	0
+C1CC(CCN1c2n(Cc3ccc(cc3)F)c4c(cccc4)n2)=O	97
+C1CC(CCN1c2ncc(cn2)Cl)=O	97
+C1CC(CCN1c2snc(n2)C)=O	97
+O1CCOC12CCN(CC2)c3snc(n3)C	4160
+O1CCOC12CCN(CC2)c3ccc(Cl)c(c3)OC	79
+C1COC2(O1)CCN(CC2)Cc3ccc(c(F)c3)F	9925
+O1CCOC12CCN(CC2)c3ccc(cc3)C=O	34
+O1CCOC12CCN(CC2)c3ccc(cc3)Br	560
+C1CC2(CCN1CCCOCCc3ccccc3)OCCO2	61
+O1CCOC12CCN(CC2)c3ncc(cn3)Cl	117
+C1CN(CCC12OCCO2)c3ncnc(Cl)c3	54
+C1COC2(CCN(CC2)c3nc4c(c(NC)n3)nc(NCCC)nc4NC)O1	549
+CC(C)C1CC(CCS1)=O	97
+C1CC(Cc2sc3ncnc(c3c12)Nc4cc(Cl)c(F)cc4)=O	97
+CC(C)C1CC(C(C)CC=O)CCC1	812
+CC1(C)C2(C(CC1CC=O)C2)C	812
+c1cc(ccc1CCCC=O)C#N	812
+c1cc(ccc1CCC=O)-c2c(F)c(c(cc2)OCC)F	812
+CN(C)c1cc(ccc1O)C=O	494
+c1ccccc1Cc2c(F)ccc(c2)C=O	494
+NC1=C(NCCCOc2cc(ccc2)C=O)C(=O)C1=O	494
+c1cc(ccc1F)Cc2oc3c(c2)cc(cc3)C=O	494
+O1CCOC1c2cc(Cl)c(cc2)Oc3cc(N)c(cc3)N	2609
+O1CCOC1c2ccc(cc2)Oc3ccc(N)c(C)c3	0
+O1CCOC1c2cc3c(oc(Cc4ccc(cc4)F)c3)cc2	9926
+CC(C)(c1cccc(c1)C=O)COC	494
+O=Cc1cc(-c2nc(SC)nc(C)n2)c(nc1)Nc3ccc(nc3)OC	9927
+O1CCOC1c2cnc(Nc3ccc(nc3)OC)c(c2)-c4nc(SC)nc(C)n4	2097
+c1(c(N)cc(F)cn1)C=O	9928
+c1cc(ccc1S(=O)(=O)Nc2c(nc3c(cccc3)n2)Nc4ccc5OCCOc5c4)Cl	9929
+c1(-c2nc3n(c2Nc4cc5c(OCCO5)cc4)c(F)ccc3)c(cccc1Cl)F	1891
+c1(I)c2CCOc2ncc1[N+](=O)[O-]	475
+O1CCc2c3n(ncc3CCN)ccc12	51
+c1(Nc2nc(Cl)ncc2)c(Cl)ccc3OCOc13	73
+O=S(=O)(C)OCC(CCCCC)c1c2OCOc2ccc1	7
+c1(n(c2nc(nc(N)c2n1)F)CCCCCCCO)Cc3c(I)cc4OCOc4c3	4777
+c1cc(ccc1OC(C(=O)N2OCCC2)C)O	9930
+O1c2cc(ccc2CCC1C(OCC)=O)O	165
+c1ccccc1COc2cc3c(cc2)C(=O)NCCO3	22
+O1CCNc2c1ncc(Br)c2	15
+O1CCNc2cccnc12	15
+O1CCNc2c1cncc2	15
+CC1(C)Oc2cc([N+](=O)[O-])ccc2O1	77
+c1(c2OC(CO)CCc2cc(c1)F)[N+]([O-])=O	21
+C(CC1Oc2c(C1)cc([N+]([O-])=O)cc2)C#N	31
+c1c(cc2OCOc2c1CC)Br	414
+c1ccccc1COCCCOc2ccc3CCC(C(=O)OCC)Oc3c2	8
+c1cc(ccc1)CN2c3c(OC(C2)C(OCC)=O)ccc(Cl)c3	507
+c1cc(ccc1Br)S(=O)(=O)OCC2COc3ccc4nc(C)ccc4c3O2	1226
+c1cc(ccc1S(=O)(=O)OCC2COc3ccc4nc(C)ccc4c3O2)C	36
+c1cc(ccc1S(=O)(=O)OCC2Oc3c(Br)cccc3OC2)C	36
+Cc1nc(CNC(C2CNc3c(cccc3)O2)=O)on1	9
+O1CCNc2c1ccnc2	15
+c1(c(c(c2c(c1)CC(C2=O)CCCl)Cl)Cl)OC	9931
+O=C(C(=COC)c1ccccc1Oc2cc(N)ccc2)OC	2737
+n1c(Br)ccc(c1)C2N(c3c(Cl)cccc3)N=C(C(OC)=O)C2	9932
+C1(N(c2c(Cl)cccc2)N=C(C(OC)=O)C1)c3ccc(Br)c(F)c3	4899
+O=C(C(=O)c1cc(NC(C)=O)c(cc1C)F)OCC	26
+c1[nH]c2cccc(Cl)c2c1CCO	9933
+N1C(C(c2c3c4n(c2)CCc4ccc3)=C(C1=O)c5c[nH]c6ccccc56)=O	2218
+O=C(C(=O)c1c(cc(F)c(N)c1)C)OCC	0
+S(C)c1ccc(cc1Cl)C(=O)C(O)=O	4714
+Cc1c(C(=O)OC)nc2n1nc(cc2)Cl	9934
+c1ccccc1COc2ccc(cc2)-n3c(c(nc3-c4ccc(cc4Cl)Cl)C(=O)OCC)C	4900
+c1cc(ccc1OCc2ccccc2)-n3c(nc(C(OCC)=O)c3C)-c4ccccc4Cl	4900
+c1cc(ccc1C)Cc2nc(O)c(nn2)C(NC(=O)C(CCCCC)C(C)=O)C	4901
+c1c(C2NC(C(=O)OC)(C)Cc3c4cc(OC)ccc4[nH]c23)cccc1O	3109
+c1cc(ccc1)C2NC(C)(Cc3c4c([nH]c23)ccc(OC)c4)C(=O)OC	3109
+c1c(C2NC(C(=O)OC)(C)Cc3c4cc(OCC)ccc4[nH]c23)cccc1O	3109
+c1ccccc1COC(=O)NCC(C)C(O)=O	101
+c1c(cc2c(c1)C=C(CC(=N)N2)C(=O)OCC)Br	9935
+C(N(OC)C(C1=C(O)C(=O)N(C1)C)=O)c2cccc(F)c2	4902
+C(OC(CC(CO)N1C(NC(C=C1)=O)=O)=O)C	44
+o1nc(cc1-c2cc(ccc2)Br)C(=O)OC	1208
+c1c(nn(-c2nnc(cc2)Cl)c1-c3ncccc3)C(=O)OC	4903
+c1cc(ccc1C)-c2n3c(c4ccccc4n3)nc(c2C(CCC)C(OC)=O)C	2057
+c1cc(ccc1)[Si](c2ccccc2)(OCC(C)C(OC)=O)C(C)(C)C	328
+C(C)OC(c1csc2cc(OC)ccc12)=O	9936
+O=C(C(C)(Cc1c[nH]c2c1cc(OCC)cc2)N)OC	9937
+Clc1ccc2cc(C(=O)OCC)[nH]c2c1	3056
+CCOC(c1cc2c(c(Cl)ncc2)[nH]1)=O	4904
+Clc1cc(Cl)nc(c1)NC(C(OC)=O)C	4905
+C1(NC(=O)C(c2c3n(ccc3ccc2)CC)=C1c4c[nH]c5ccccc45)=O	2218
+c1c2c(ccc1CC)c(C=3C(NC(=O)C=3c4c5c(ccn5C)ccc4)=O)c[nH]2	2218
+c1(cc(ccc1)C(CO)(C)N)Br	95
+O=C(C(=O)c1cc([N+]([O-])=O)c(cc1C)F)OCC	31
+c1ccccc1COc2c(cc3C4CC(C(C(OCC)=O)=CN4C(CC)Cc3c2)=O)OC	2745
+O=S(=O)(N(C(C)=O)N1C(Nc2c(cc(c(c2)C(C)C)-c3n(ncc3)C)C1=O)=O)C	9938
+O=S(=O)(CC(c1noc(C)n1)(C)NC(=O)OCc2ccccc2)C	4906
+O=S(=O)(CCCCC)NC(=O)c1cc(c(NC(=O)C)cc1)N(C)Cc2ccc(Cl)cc2Cl	26
+c1cc(ccc1OCC#CC)S(=O)(=O)N2C(C(OCC)=O)CN(CC2)C(C)=O	58
+c1cc(ccc1S(=O)(=O)N2c3cc(ncc3N(C(=O)C)C(C)C2)Br)C	2052
+O=S(=O)(NC1Cc2c(cc(cc2)-c3cccc(CNC(=O)C)c3)C1)C(C)C	68
+c1cc(ccc1)Oc2c(cc(c(c2)C(=O)C)OC)NS(=O)(=O)C	94
+O=S(=O)(c1ccccc1[N+](=O)[O-])N(CCC)CCCn2c3c(c4c5c(C(CC5)=O)ccc24)cc(cc3)C(=O)C	94
+O=C(O)C(CCSC)OC(C)=O	4907
+Fc1c(c(Nc2ccc(I)cc2C)c(C(=O)NOCCOC(=O)C)cc1F)F	204
+Oc1c(ccc([N+]([O-])=O)c1C)C(=O)C	94
+[n+]1([O-])ccc(Cl)cc1C	9939
+c1(c2c(ccc(OC)c2)ccc1)C(CO)CNC(C)=O	68
+s1c(CC(OC)=O)ccc1C(=O)C	1808
+C(c1ccc(Br)c2oc(nc12)C)(=O)OC	9940
+c1(c(ccs1)C(=O)N)NC(C)=O	2414
+c1([N+]([O-])=O)cccc(CCNC(C)=O)c1	68
+c12c(c(c([nH]1)-c3c(C)onc3CC)C(C)=O)cccc2	432
+c1c(ccc(O)c1CC)C(=O)C	94
+c1(c(ccc(N)c1F)[N+]([O-])=O)CCOC(C)=O	204
+c1(cc(ccc1[N+]([O-])=O)OCCOC(C)=O)OC	204
+c1(ccc(cc1[N+]([O-])=O)C)Sc2cc(ccc2)NC(C)=O	26
+c1(ccccc1C(NNC(C)=O)=O)I	1086
+c1(CN(C(=O)C)O)ccccc1Nc2cccc(C)c2C	1080
+c1(nsc2ccc(cc12)NC(C)=O)NCCNC(=O)c3ccccn3	26
+c1(c2c(cccn2)c(Cl)cc1C(=O)C)O	4908
+c12c(ccc(OC)c1)CCC2CCNC(C)=O	68
+c1c2c(sc3c2cc(C(C)=O)cc3)ccc1	94
+CC(c1ccc2c(c3c4c(ccc3[nH]2)C(CC4)=O)c1)=O	94
+CC(n1c2c(c3c1cccc3)cc(I)cc2)=O	9941
+c12cc(O)c(cc1cccc2)NC(=O)C	26
+[nH]1cc(c2cc([N+]([O-])=O)ccc12)C(=O)C	432
+c1c(-c2ccc(cc2C(OC)=O)NC(C)=O)c(ccc1)Br	26
+CC(Nc1n[nH]c(-c2cc(F)ccc2)c1)=O	195
+c1(C#N)[nH]c(C)c(c1C)C(=O)C	432
+c1(c(ccc(-c2c(I)cc(c(C(C)=O)c2I)I)c1)C(=O)O)[N+]([O-])=O	94
+c1c(NC=2C=3C(=O)N(CC=C)N=C(C=3N(C(=O)C=2Cl)C)c4cccc(NC(C)=O)c4)c(F)cc(I)c1	26
+c1cc(cc(OC(C)=O)c1OC)C(=O)O	385
+c1(cc(Cl)c(cc1OC)Br)C(=O)C	94
+c1c(OCCOC(C)=O)c(cc([N+]([O-])=O)c1)OC	204
+c1cc(OCCCCCCCCOC(=O)C)c(c([N+]([O-])=O)c1)C#N	204
+c1cc(c(C)cc1Br)OC(C)=O	385
+C(=O)(C)c1c(c2cc(ccc2s1)Br)C	2940
+c1c(cc2ccc(nc2c1)CNC(C)=O)Br	68
+c1(COC(=O)C)ccc(C=Cc2c3ccccc3sc2)s1	204
+c12cc([N+]([O-])=O)ccc1CCCCN2C(=O)C	192
+C(C)c1c(NC(C)=O)cccc1	26
+c1(C)cc(ccc1F)C(=O)C	94
+c1cc(c(cc1C(CCc2noc(C)n2)=NOC)Cl)Cl	2750
+c1cc(ccc1-c2ccc(c(F)c2)OC)C(=O)C	94
+CC(C)N1C(=O)C=CC(c2sc(NC(C)=O)nc2-c3ccccc3)=N1	290
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5cc(c(Br)cc5c(n4)I)NC(=O)C	26
+c1cc(ccc1C(C)=O)CC(OC(C)=O)C	94
+c1cc(ccc1)CN(CCOC(C2=C(NC(COC(=O)C)=C(C(=O)OCC)C2c3cc([N+](=O)[O-])ccc3)C)=O)C	2580
+c1cc(ccc1)COC(=O)N(Cc2cc(ccc2-c3c(OC)ccc(c3)CC(OCC)=O)NC(C)=O)CC	26
+c1cc(ccc1)Cc2c(NC(C)=O)nc(C=C)c(-c3ccc(cc3C=C)OC)n2	1841
+c1cc(ccc1)-n2c3ccc(cc3nc2C)C(O)=O	9942
+c1ccccc1Oc2c(ccc3c2CCC(C)N3C(C)=O)Br	192
+c1cc(ccc1)Oc2c(NC(=O)C)c(ccc2)CC(=O)OCC	26
+c1cc(ccc1-c2ccc(cc2)Cl)C(=O)C	94
+CC(C)(c1ccc(cc1)C(Nc2nc3n(cc(Cl)cc3)c2)=O)CNC(=O)C	68
+c1cc(ccc1C(C)CNC(C)=O)C#Cc2ccc(cc2)OCCC	68
+c1cc(ccc1CCNC(C)=O)-c2ccc(cc2)C3CCCC3NS(=O)(=O)C(C)C	68
+c1cc(ccc1N(Cc2ccc(cc2)C#CCCCCCCCC)C(=O)C)C=CC(=O)OCC	192
+c1cc(ccc1COC(CCC(C(OCC=C)=O)OC(=O)C)=O)OC	4907
+c1cc(ccc1NC(=O)C)-n2c(cc3c2c(O)c(C#N)c(n3)O)Cl	26
+c1cc(ccc1NC(C)=O)C(=O)c2ccc3c(NC(=O)C3)c2	26
+c1cc(ccc1N2CCc3cc(ccc3C2Cc4ccc(cc4)OCc5ccccc5)OC)NC(=O)C	26
+c1cc(ccc1C=O)N2CCN(C(=O)C)C(C)C2	58
+c1cc(ccc1NC(N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2)=O)NC(C)=O	26
+c1cc(ccc1N(CCOc2c3c(ccc2)cccc3)C(=O)C)C(O)=O	192
+c1cc(ccc1C(=O)OC)Nc2c(cc(C#N)cc2)NC(C)=O	26
+c1cc(ccc1OC(=O)C)OC	385
+c1cc(ccc1OC)SCCNC(=O)C	68
+c1cc(ccc1OCCCN2CCCC2C)-c3sc4CCC(c4n3)NC(C)=O	68
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)-c3nc(on3)C)OCC=C(Cl)Cl)Cl	4261
+c1cc(ccc1-c2c(C#N)c3c(n2CC)cc(cc3)OC)OCCNC(=O)C	68
+c1cc(ccc1OCc2cccc(F)c2)N3C(=O)CC(c4nc(C)on4)C3	4906
+c1cc(ccc1-c2nc(c(c(Cl)c2)C#N)-c3ccc(cc3)Oc4ccccc4)NC(C)=O	26
+c1cc(ccc1SC)Cc2sc(NC(C)=O)nc2C(OCC)=O	290
+c1c(Br)cc2c(c1)N(CC2)C(=O)C	192
+CC(n1c2cc(ccc2c3c1cccc3)C(C)=O)=O	4908
+c1c2c(c3ccccc3c4cccc(C(C)=O)c24)ccc1	94
+c1ccccc1-c2ccc3c(cc(cc3)C(NC(=O)C)c4c(nccn4)Cl)n2	68
+c1ccccc1C(O)CNC(=O)C	68
+c1cc(ccc1)C(c2ccccc2)N(C(=O)C)CCCCCC(=O)OCC	58
+c1ccccc1C(c2ccccc2)OC(=O)C3=C(c4cnc(NC(=O)C)s4)CSC5C(NC(=O)OC(C)(C)C)C(=O)N35	290
+c1ccccc1C2(C)c3ccc(cc3N(C(C)=O)C2)Br	192
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)C(=O)C	94
+c1cc(ccc1)CC(OC(C)=O)C	204
+c1ccccc1COC(NC2c3cc(ccc3N(C(C2C)C4CC4)C(=O)C)Br)=O	192
+c1ccccc1COC(NC2C(C(C)N(c3ccc(Br)cc23)C(C)=O)C)=O	192
+c1ccccc1COc2c([N+]([O-])=O)c(N(CC)C(=O)C)ccc2	192
+c1ccccc1COc2cc3c([nH]cc3C(C)=O)cc2	432
+c1ccccc1Cc2cc(C(NC3COc4ccc(cc4N(C)C3=O)NC(=O)C)=O)no2	26
+c1ccccc1S(=O)(=O)n2c3ccc(OCCNC(=O)C)cc3cc2	68
+c1cc(ccn1)SCCCN(C(C)=O)Cc2ccccn2	58
+c1nc(ncc1C(=O)NOC2CCCCO2)N3CCc4c5ccccc5n(C(=O)C)c4C3	2917
+C(C)(NC1CCCc2c(cncc12)-c3cc4CCC(N(c4cc3)C)=O)=O	68
+C(C)(NC1CCCc2c(Br)cncc12)=O	68
+N1(C(=O)C)Cc2n(CC1)nc([N+]([O-])=O)c2	58
+O=S(=O)(c1ccc(-c2c(nc(NC(C)=O)s2)C)cc1F)C	9943
+C1(n2c(Br)nc3cc(c(F)cc23)F)OCC(C(O)C1O)O	59
+O=C(OCC(COC(=O)C)c1ccc(N)c(c1)C=2CCCCC=2)C	989
+c1ccccc1CS(=O)c2ccc(NC(C)=O)c([N+]([O-])=O)c2	9944
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(OC)cc3)C1=O)N(c4ccc5nc(oc5c4)C)C	9945
+c1c(OC)c2c(c(C(CC)=O)c1)ccc(CC)n2	9946
+c1cc(ccc1)C2CC3CN(C(=O)CC)CC23	2781
+c1cc(ccc1O)C=C(C)C(=O)OC(=O)CC	2897
+c1cc(ccc1C2CC(O)=C(C(=O)CC)C(=O)C2)SC	9947
+CCC(=O)Nc1cc(nc(n1)-c2oc(Br)cc2)-n3nccc3	9948
+C1(CCC(=O)N1OC(CCCCNC(NCCCCC2C3C(CS2)NC(=O)N3)=O)=O)=O	884
+O=C(CNC(c1ccc(c(Cl)c1)Cl)=O)O	946
+c1c(CN2n3cccc3C(O)=C(C(NCC(=O)O)=O)C2=O)cc4c(cccc4)c1	3569
+c1cc(ccc1)-c2c3snc(-c4c(cccc4)F)c3c(O)c(C(=O)NCC(O)=O)n2	1480
+c1cc(ccc1)-c2c3c(-c4nnn(c4)Cc5ccccc5)nc(C(=O)NCC(=O)O)c(O)c3on2	1480
+c1ccccc1CN2c3c(-c4cccnc4)nc(C(NCC(O)=O)=O)c(O)c3C=C(Cc5ccccc5)C2=O	3110
+c1cc(ccc1)Oc2cccc3c(nc(C(NCC(O)=O)=O)c(O)c23)C#N	3110
+c1cc(ccc1C(=O)C)S(=O)(=O)NCC(O)=O	592
+c1ccccc1-c2n(CC(O)=O)c(-c3ccc(cc3)OC)cc2	9949
+c1cc(ccc1Cl)CCC(NCC(O)=O)=O	726
+c1cc(ccc1F)-c2c(c3c(c(C(NCC(O)=O)=O)nc(C)c3n2-c4ccccc4)O)C#N	1480
+c1cc(ccc1Oc2cccc3c2c(nc(c3O)C(=O)NCC(O)=O)C#N)OC	3110
+c1cc(ccc1Oc2ccc3c(c(O)c(C(=O)NCC(O)=O)nc3C#N)c2)OCCC	2977
+c1ccccc1-c2ccc(C3CCC(CC3)CCC)n2CC(=O)O	9950
+c1ccccc1COc2cc3c(C#N)nc(C(=O)NCC(O)=O)c(O)c3cc2	1480
+c1cc(c(NCC(=O)OC)nc1)[N+](=O)[O-]	4905
+c1(Cl)cc(cc(Cl)c1Oc2ccc(cc2)[N+]([O-])=O)C(=O)NCC(=O)OC	259
+c1cc(ccc1)Oc2c3c(ccc2)c(OC)c(C(=O)NCC(=O)OC)nc3C#N	1008
+c1cc(ccc1S(=O)(=O)NCC(=O)OC)OCC2CC2	592
+c1cc2-c3ccccc3C(c2cc1)C(=O)NCC(=O)OC	3314
+c1ccccc1COC(=O)NCCS(=O)(=O)NCC(=O)OC	4038
+c1ccccc1COc2cc(cnc2C(=O)NCC(OC)=O)OCc3ccccc3	1008
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(cc3)O)C1=O)N(c4ccc5nc(oc5c4)C)C	5
+O=C(CNC(c1c(c2c(n(cc2Cl)Cc3ccc(F)c(F)c3)c(n1)C#N)O)=O)O	2156
+O=S(=O)(C)OC1CN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1	7
+N(c1c(O)cc(c(Cl)c1)Cl)CC(O)=O	3
+c1(CC(=O)NO)ccc(-c2ccc(cc2F)F)c(F)c1	3736
+c1ccc2C(=O)N(C(c2c1)=O)CCc3c(Br)cc(c(OC)c3)OC	9951
+c1c(cccc1C#N)C(=O)Cc2ncncc2	9952
+OCC1C(C(C(C(N(CC=C)C(=O)N(N=O)CCCl)O1)O)O)O	2591
+c1cc(ccc1C(=O)Cc2c(Cl)cccc2F)F	832
+c1cc(ccc1)C(Cc2cc(ccc2)C)=O	832
+c1c(-c2c(-c3nnc[nH]3)cn(-c4ccnc(c4)NC(C)=O)c2)c(ccc1)Cl	1153
+c1c(-c2cn(cc2C(N)=O)-c3ccnc(c3)NC(C)=O)c(ccc1)Cl	1153
+O=C(OCC)C(C(=O)OCC)(NC(C)=O)CCc1ccc(cc1)Sc2ccc(cc2)-c3nc(CCC)oc3	4773
+c1cc(ccc1OC)-c2nc(C)oc2	2435
+N(c1ccc2c(cc(cc2)C)n1)C(C)=O	4605
+c1cc(ccc1CNC(C)C(=O)N)OCc2c(F)cccc2	3803
+N#Cc1c(Cl)nc(NC(C(=O)N)C)cn1	2941
+c1(Cl)cc(cc(Cl)c1)COc2cc(Cl)cc(C(=O)NCc3ccc(cc3OCC(N)=O)C#N)c2	2805
+c1cc(ccc1)C2=[N+](c3c(cc(N4CCN(CC4)CC(N)=O)cc3)N5CCN=C25)[O-]	9953
+c1ccccc1C(=O)c2cccc(C(SC)C(=O)N)c2N	9954
+c1cc(ccc1NC(=O)NC)-c2nc(N3CC4CCC(C3)O4)c5c(C(C)(C)OC5)n2	9955
+C(#N)c1cc(c2sccc2c1)O	274
+Cc1cccc(C#N)c1Br	274
+C1C2(O)CC3(CC(CC1C3)(O)C2)Nc4c(C(N)=O)cnn5c4cc(c5)Br	719
+c1cc(ccc1)COC(=O)N2CC(C(C)C2)Nc3c(C(=O)N)cnn4cc(Br)cc34	719
+c1cc(ccc1)COC(=O)N2CC(Nc3c4n(cc(Br)c4)ncc3C(=O)N)C(C2)OC	719
+c1(C=O)cc(c(cc1)Oc2ncc(nc2)C(=O)N)OC	842
+O=S(=O)(C)OCc1ccnc(c1)C(N)=O	7
+O=S(=O)(N)Nc1cccc(c1C#N)OCC2CCCCN2C(NCC)=O	1630
+O=C(N1C(COc2c(c(N)ccc2)C#N)CCCC1)NCC	0
+c1cc(ccc1CCCCNC(=N)NC(=O)c2c(nc(N)c(n2)Cl)N)OCC(=O)Nc3ccccc3	4128
+c12C(NC(=O)c3cnc4c(c3)CC5(c6cccnc6NC5=O)C4)CCC(C(N)c1cccn2)c7c(c(ccc7)F)F	18
+c1cc(N)c(NC(CCCCCCCNC(=O)c2c(C)[nH]c(C=NN=C3c4c(ccc(F)c4)NC3=O)c2C)=O)cc1	33
+c1c(cc(cc1)C(OCCNC(=O)OC)c2cccc(c2)Cl)C(O)=O	6
+C(CCCCC)CCc1cc2c(cc1)-c3ccc(-c4nnc(CCCCCC)s4)cc3C2	9956
+C1(C)CCCCN1c2n3c(nn2)ccc(c3)F	9957
+c1c(C(=O)O)ccc(C)c1NC(=O)c2cc3cc(OC)c(OC)cc3nc2O	1
+O=S(=O)(CCCCC(=O)O)NC	508
+O=S(=O)(CCCOC(C)=O)N1CCC(CC1)Nc2nc(N)c(cn2)C(=O)c3c(ccc(F)c3F)OC	2120
+O=S(=O)(NC(C)=O)c1cccc(-c2cc3c(CCCC3=O)cc2)n1	344
+c1(c([N+]([O-])=O)cc(C)c(c1)C(=O)O)OC	4653
+C1(c2cc(C(=O)O)ccc2OC3=C1CCCC3)=O	9958
+c1cc(ccc1-c2nccc3c(cccc23)CC(O)=O)[N+](=O)[O-]	9959
+O=S(=O)(c1cc2c(ccc(c2)COC(C)=O)s1)N	283
+O=S1(=O)c2ccc(cc2C=Cc3ccc(cc13)C(O)=O)[N+](=O)[O-]	944
+C(c1cc(Br)c(O)c(C(=O)C)c1)C(=O)O	508
+[O-][N+](=O)c1cc2CC(=O)c3cc(ccc3Sc2cc1)C(C)C(O)=O	2567
+Brc1cccc(Br)c1COC(C)=O	283
+n1c2c(c(c(c1O)C#N)Cl)cccc2	9960
+c1(O)c([N+]([O-])=O)cc(C(COC(C)=O)=O)cc1O	1231
+O(CCC1C(c2c(cc(c(c2Cl)Cl)OC)C1)=O)C(=O)C	2120
+c1(c(cc(C)cc1)Nc2c(C(=O)OC)cnc(O)c2)Cl	3111
+c1c(Cl)nn2c(C)nnc2c1C	2489
+c1(Cl)cc(cc(Cl)c1C(c2ccc(cc2)Cl)C(=O)O)N3N=CC(NC3=O)=O	2567
+c1(cc2c(c(ncc2)O)cc1Br)F	3111
+c12cccc(c1ccc(NCc3c(cccc3)OC)n2)-c4nc(C)on4	1289
+c12-c3ccccc3NC(=S)n1nc(COC(=O)C)c2	27
+c12CCC(CC(OC)=O)c1ccc(c2C)C=O	1937
+C12c3c(Cl)nn4c(C)nnc4c3C(C1)CC2	2489
+C(C)N(CC)C(C)CN1CCC2=C(C(Oc3cc(c(Cl)cc23)C)=O)C1	4560
+c1c(-c2cc(COC(C)=O)ccc2)csc1	283
+Clc1cc(cc(Cl)c1Sc2cc(C(C)C)c(O)nn2)N3N=C(C(=O)NC3=O)C(=O)O	9961
+c1c(I)cc(c(Nc2c(cnc(O)c2)C(=O)OCC)c1)F	3111
+c1c(OC)c(c(cc1Nc2nc(nn3c(nc(C)c23)C)-c4cccc(NC(C)=O)c4)OC)OC	33
+c1c(c(ccc1C(COC(C)=O)=O)O)OC	4445
+c1cc(cc(F)c1C#N)C(=O)C	9962
+c1(cc(c2c(c1)c(n[nH]2)-c3cc(F)ccc3)OC)C(=O)O	944
+c1(C(c2cc(C(=O)O)ccc2)=O)c(C)cc(cc1)OCCCCCC	944
+CC(C)N1C(=O)C=CC(=N1)CC(=O)c2ccccc2	9963
+c1ccccc1C2(C(=O)CCCC2)CCC(=O)O	508
+c1cc(ccc1)COC(N2CCC(COC(=O)C)(C2)F)=O	4025
+c1cc(ccc1F)-c2c(Cl)c(C(=O)O)c(c(c2)OC)N	4886
+c1cc(ccc1-c2onc3-c4ccc(cc4CCc23)C(C(=O)O)O)CCC	508
+c1cc(ccc1C(=O)c2cc(CC(=O)O)ccc2)Cl	508
+c1cc(ccc1C(=O)O)C(=O)CNC(OCc2ccccc2)=O	9964
+c1cc(ccc1Cc2cc(Br)ccc2Cl)COC(C)=O	283
+c1cc(ccc1COC2=CC(=O)N(C=C2)c3cc4c(cc3)nc(n4C)C)Cl	953
+c1cc(ccc1Cl)C(=O)c2cccc(C(=O)O)c2C	944
+c1cc(ccc1CNC(C)=O)Cl	9
+c1cc(ccc1Cl)Oc2nnc(O)cc2	3028
+c1cc(ccc1F)-c2c(C=3C=CC(N(C(C)C)N=3)=O)nc(C(=O)N)c(N)n2	9965
+C1CN(CCN1c2ccc(cc2)C(=O)O)Cc3ccccc3	944
+c1cc(ccc1C(=O)O)Nc2ccc(cc2)OC	944
+c1cc(ccc1Nc2ncc(c(n2)O)Br)S(C)=O	9966
+c1(CC(O)=O)cc(ccc1CCc2c(c(ccc2)OC)C)Br	508
+c1cc(ccc1)-c2c(oc3c(c2)ccc3)CC(O)=O	508
+c1ccccc1-c2nc3cc(COC(C)=O)ccc3o2	283
+c1ccccc1-c2nc3c(cccc3s2)COC(=O)C	9967
+c1ccccc1N2C(=O)c3c(c4c(n3C)ccc(c4)Cl)C(=N2)CC(=O)O	508
+o1c(-c2cc(COC(C)=O)ccc2)ccc1Br	283
+c1cc(ccc1C(=O)Nc2nccc(C)c2)-c3nc(C4CCCN4C(C#CC)=O)n5ccnc(N)c35	2976
+c1cc(ccc1-c2c3c(nccn3c(C4N(C(=O)C#CC)CCC4)n2)N)C(=O)Nc5sc6CCCCc6n5	2976
+c1(Cc2ccc(c(c2)OC)OC)nnc(c(O)n1)C(C)NC(=O)C(C(O)C)CCCC=C	9
+c1cc(ccc1I)C(=O)NNC(C(Nc2c(c(Cl)c(cc2)C#N)C)C(O)C)=O	708
+c1cc(ccc1)N(c2ccccc2)c3ccc(cc3)C=Cc4ccc(cc4)C=Cc5ccc(cc5)NC(C(=C)C)=O	4909
+c1cc(ccc1OCC(OCC)OCC)-c2ccc(cc2)OC(C(=C)C)=O	2358
+c1cc(ccc1OCCOC(=O)C(C)=C)C(=O)O	2466
+c1c(F)cc(cc1CC(=O)NC(C(=O)O)C)F	726
+OC(=O)C(N1Cc2ccccc2C1=O)C	9968
+c1cc(ccc1S(=O)(=O)NC(C)C(O)=O)C	592
+c1cc(ccc1F)Oc2cc3cnc(c(O)c3cc2)C(NC(C(=O)O)C)=O	2977
+c1cc(ccc1)COC(C(NC(=O)C(NC(=O)C(C)NC(C)=O)C)CC(C)C)=O	207
+c1ccccc1C(=O)n2c3c(c4ccccc24)CC(CC3)C(=O)O	4036
+c12c(cccc1)NC(=O)C3CC(CN3C2=O)O	9969
+c1ccccc1COC(N2C(CC(O)C2)C(O)=O)=O	2543
+C(CC(OCCOCCO)=O)CCCCCCCCCCCCCCCCCCC	27
+c1cc(OC)cc2C(=O)N(C)CC(Nc12)=O	9970
+c1ccccc1CN2CCC(CC2)N(CC(=O)O)C	9971
+c1cc(ccc1-c2noc(n2)COC)CN(C3C(NCCCC3)=O)S(=O)(=O)c4ccc(cc4)Cl	1289
+c1(cc(ccc1O)Nc2c3c(cccc3OC(CNC(=O)COC)C)ncn2)Cl	9
+c1cc(ccc1)COC(N2CC(C(CC)C2)Nc3c(cnn4c3cc(c4)-c5cnc(cc5)CNC(COC)=O)C(=O)N)=O	9
+n1c(cn(CC(CCc2nnc(s2)NC(Cc3ncccc3)=O)F)n1)C(=O)OCC	373
+CCOc1c2ccccc2c(OCC)c3C(=O)OC(=O)c13	3112
+[O-][N+](c1cc(c(cc1)CO)Sc2ccccc2O)=O	49
+Fc1cc(CO)c(F)cc1Cl	611
+c1cc(ccc1OC)-c2nc3c(nc2-c4ccc(cc4)OC)cc(c(O)c3)C(=O)O	3113
+c1c(I)cc(c(Nc2c(c3c(ocn3)cc2C(=O)O)F)c1)F	235
+c1cc(ccc1)CNC(c2cccc(-c3cccc(C(OC)=O)c3)c2)=O	14
+O=S(=O)(Cl)c1cc(c(O)cc1)C(O)=O	240
+c1cc(ccc1N=Nc2ccc(O)c(C(O)=O)c2)OCCCCCCCCBr	725
+c1ccccc1COC(=O)NC(C(C)NC(c2c(cccc2)O)=O)C	14
+c1ccccc1COC(=O)NCCNC(c2ccccc2O)=O	14
+c1cc(ccc1C(OC)=O)SCCNC(=O)c2oc3c(cccc3)c2	1619
+c1ccccc1COC(NC(C(NCC(NC(c2cc3c(o2)cccc3)=O)C(C)C)=O)C(C)C)=O	1619
+c1(nc2c(s1)cccc2)Oc3ccc4c(cc(CO)o4)c3	2184
+c1cc(ccc1-c2c(NC(OC(C)c3c(cccc3)Cl)=O)ccnc2)O	89
+O=C(OC)C(=COC)c1ccccc1COc2cc(C)c(C=O)cc2C	22
+O=C(OC)C(=COC)c1ccccc1COc2c(C)cc(c(C)c2)C(CC)=NO	189
+O=C(OC)C(=COC)c1ccccc1COc2c(C)cc(c(C)c2)C(CC)=O	155
+O=S(=O)(N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O)C	112
+c1cc(ccc1OCCOc2cc3CCCCc3cc2)CC(C(=O)OC)C(O)=O	4
+O=C(C(=O)c1ccc(SC)c(Cl)c1)OC	3773
+c1cc(ccc1F)CNC(C2=C(O)C(=O)N(C)C(=N2)C(C)(C)NC(C(OC)=O)=O)=O	2499
+c1cc(ccc1[N+]([O-])=O)OC(C)C(=O)OC	9972
+C1(O)CN(C(=O)C(C)N2Cc3ccccc3C2=O)C(C(OC)=O)C1	478
+c1cc(ccc1-c2nc(CSc3c(c(c(c(N(C)CC(=O)OC)n3)C#N)N4CCCCC4)C#N)cs2)Cl	3720
+O=C(OC)N1CC(C(C1)OCC)Nc2c(nc(-c3cc4c(cc3OC)CCC4)c(CC)n2)CC	3901
+c1ccccc1COc2c(C(=O)OC)scc2	3080
+c1c(c(C(=O)OC)c(cc1)C(=O)O)CNC(N)=O	1
+c1(cccc(F)c1Cc2cc(OC)c(c(C(=O)CC(=O)c3nccc(C)c3)c2)OC)F	9973
+C(C)OC(c1cc2cc(OCCOC)cc([N+]([O-])=O)c2[nH]1)=O	9974
+O=C(OCC)C(=NOC)C(CC)=O	4910
+O=C(OCC)C(=NOC)C(CCl)=O	969
+O=C(OCC)C(C(C(Cl)C)=O)=NOC	9975
+O=C(OCC)C(=NOCCC)C(CCl)=O	969
+N(=C(C(=O)O)c1csc(N)n1)OCCC	3
+O=C(OCC)C(=NOCCCC)C(CCl)=O	969
+N(=C(C(=O)O)c1csc(N)n1)OCCCC	3
+o1c(ncc1C)C(OCC)=O	9976
+O=C(OCC)C(=O)NCC(=O)C	86
+c1c2ccccn2c(n1)C(=O)OCC	9977
+C(C)OC(c1n2c(nn1)cncc2)=O	9978
+n1c(c2cc(C)ccc2nc1C(=O)OCC)O	9979
+n1c(c2c(nc1C(=O)OCC)scc2)O	9980
+O=C(C(O)=O)Nc1c2C(CC(c2c(C)cc1)CCC)=O	1581
+c12c(cc(cc1)F)NC(=O)C(N2O)=O	4727
+c1cc(cc2OCC(Nc12)=O)NC(=O)C(O)=O	1581
+C1CCCCC1C(CO)(CO)COC	1257
+c1cc(ccc1Sc2ccc(cc2)CCC(CO)(CO)NC(=O)C)-c3nc(CCC)oc3	1257
+O=C(OCC)C(C(=O)OCC)(c1ccc(cc1)N)C	0
+CC1(C)N2C=C(C(OCC)=O)C(=O)c3cccc(c23)C1	9981
+Cc1c2c(c(cnc2n(-c3ncccc3)n1)C(=O)OCC)O	4911
+C1CN(CCN1c2ncc3c(O)c(cnc3n2)C(OCC)=O)C	9982
+n1(ncc2c(c(cnc12)C(=O)OCC)O)CC	4911
+[N+]([O-])(c1cccc(C(=O)C)c1C)=O	9983
+Fc1c(F)cc(Br)c(C(=O)CC(=O)OCC)c1	4912
+c1cc(C(CC(OCC)=O)=O)c(Cl)cc1I	4912
+C1C(CN1C(=O)OCc2ccccc2)C(C(=O)OCC)C(=O)O	3
+c1cc(ccc1Oc2ccc(cc2)C(CC(C(OCC)=O)(C(OCC)=O)NC(=O)C)=O)CCCC	4913
+c1cc(ccc1C(CC(C(OCC)=O)(C(OCC)=O)NC(=O)C)=O)Sc2ccc(cc2)CCCC	4913
+Ic1c(C)ncc(c1)[N+](=O)[O-]	4914
+CCOC(Cc1ncccc1Cl)=O	2367
+Clc1c(C)ncc(Br)c1	4914
+c1cc(ccc1-c2cc(C=C(C)C(OCC)=O)c(cc2)N3CCCC3C)OCCOCCCC	750
+c1cc(ccc1OCCOCCCC)-c2cc(C=C(C(OCC)=O)C)c3N(C)CCCc3c2	750
+O=C(OCC)C(C)=Cc1ccc(N)cc1F	0
+O=S(=O)(NCCCc1scc(C(OCC)=O)n1)C	4317
+c1(C)nc2n3c(nc(C(=O)OCC)c3)ccc2c(C)c1	4759
+c1(cc(cc(OC)c1OC)-c2scc(C(OCC)=O)n2)OC	1835
+c1(cc2nc(C(=O)OCC)cn2c(C)n1)C	9984
+c1sc(Nc2c(C)cccc2)nc1C(=O)OCC	2377
+c1cc(ccc1OCCCCl)-c2nc(co2)C(=O)OCC	9985
+c1cc(ccc1-c2n(cc(C(=O)OCC)n2)-c3cc(OCC)ccc3)C	9986
+c1cc(ccc1-c2n(cc(C(=O)OCC)n2)-c3cc(OCC)ccc3)F	9987
+c1cc(ccc1N2C(=NC(C(OCC)=O)(C2)O)CN(c3ccc(cc3)F)C)Cl	9988
+c1cc(ccc1-c2nc(cs2)C(=O)OCC)[N+](=O)[O-]	1835
+c1cc(ccc1)COc2cccc(-c3nc(C(OCC)=O)cs3)c2OCc4ccccc4	1835
+n1c2c(cccc2)c([nH]1)C=Cc3c(cccc3)Nc4scc(n4)C(=O)OCC	2377
+C(C)OC(c1cc(n(n1)-c2ccc([N+]([O-])=O)cc2C(=O)O)C)=O	4915
+c1c(cc(c(c1)-n2nc(cc2C)C(=O)OCC)C(=O)O)Br	4915
+c1cc(ccc1-n2nc(C)c3c2nc(C)cc3C(OCC)=O)OC	3740
+c1cc(ccc1Cl)C2N(C(=O)C(O)=C2C(=O)C)c3cc(C)c4nnc(C)n4c3	9989
+C(C)OC(c1cc(-c2ccc(cn2)C)n(-c3ncccc3)n1)=O	4903
+Clc1cccc(c1)-c2onc(c2)C(=O)OCC	1208
+o1nc(cc1-c2cc(F)ccc2)C(=O)OCC	1208
+O=C(OCC)C(=O)NCC(O)C	2499
+O=C(OCC)C(c1cn(C)c(C(Nc2cc(C)c(F)cc2)=O)c1)=O	9990
+c1c(Cl)c(c(cc1C(NNC(C(OCC)=O)=O)=O)Cl)O	9991
+c1c(Br)c(c(cc1-c2noc(n2)C(=O)OCC)Br)O	9992
+Cc1cc(cc(C)c1Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)NC(C(OCC)=O)=O	994
+O=C(OCC)C(=O)Nc1cc2OCC(Nc2cc1)=O	994
+C(C(Oc1cc(ccc1)Oc2ccccc2[N+]([O-])=O)C)(O)=O	3
+c1(C)c(F)ccc(c1)NC(=O)c2n(C)cc(c2)C(=O)C(O)=O	2249
+c1cc(N)c(cc1)CC(=O)OCC	0
+O=C(OCC)Cc1c2cc(C=O)ccc2ccc1Cl	3450
+c1c(CC(O)=O)c(c(Oc2c(F)cccc2)cc1)[N+](=O)[O-]	3
+O=C(OCC)Cc1cccc(c1N)Oc2ccccc2Cl	0
+O=S(=O)(Nc1c(CC(=O)OCC)cccc1Oc2c(cccc2)Cl)C	80
+c1c(CC(OCC)=O)c(-c2ccccc2F)ccc1	11
+Fc1ccccc1CC=O	578
+C1(=O)OC(=O)c2c1c(OC)ccc2	3112
+O=C1CCC(=O)N1OC(=O)c2c(N=[N+]=[N-])c3ccccc3nc2	9993
+O=C(O)c1c(O)c(C(C)=O)ccc1	562
+O=C(c1c(ccc(C)c1)-c2cnn(C)c2)N3CCCC(C)C3CNc4c(C)cccn4	340
+O=C(c1c(ccc(C)c1)-c2cnn(C)c2)N3CCCC(C)C3CNc4ccc(cn4)C#N	70
+c1cnn(n1)-c2c(C(=O)N3CCCC(C)C3CN)cc(F)cc2	9994
+n1ccnn1-c2c(C(N3C(CN)C(CCC3)C)=O)cccc2F	9995
+S(CC#C)c1ccccc1CO	49
+O=S(=O)(c1cc(c2c(c1)OCCO2)C(O)=O)Cl	243
+c1cc(F)ncc1-c2nc3c(c(C(=O)O)c2)cccc3	4835
+Nc1cc2ccc(c(OC)c2c3cc(C)ccc13)OC	9996
+c1cc(ccc1)-n2nc(C(OCC)=O)cc2NC(=O)c3c(Cl)cc(Cl)c(c3)-c4ccccn4	650
+Nc1c(Cl)cc(c2OCOc12)C(=O)O	106
+c1c(C(=O)OC)nc(cc1CCCSC)C(=O)OC	965
+c1c(C(=O)OCC)nc(cc1OCc2ccccc2)C(=O)OCC	22
+C(NCc1ccc(c(Cl)c1)Cl)(c2sc(cc2)C(=O)OCC)=O	1256
+O=C(c1ccc(c(c1O)O)N)O	0
+c1c2c(CCC(C2NC(=O)c3ccc(c(Cl)c3)Cl)OC(=O)C)ccc1N	0
+O=C(c1cccc(OCc2cccc(F)c2)c1C(O)=O)O	1
+C1CC(C)N(C(c2c(-n3nncn3)cccc2)=O)CC1Nc4nccc(C#N)c4	30
+c1cc(ccc1CCCc2ccc(cc2)[N+]([O-])=O)Nc3c(cccc3)C(=O)O	230
+O=S(=O)(Cl)c1ccc(c(c1)C(O)=O)Cl	240
+c1(cc2c(N(C(=O)C2C(=O)c3ccccc3Cl)C(=O)C)cc1)C(C)=O	3071
+Cc1cc(ccc1Nc2ccccc2NC(c3ccccc3Cl)=O)OC	4867
+c1(C(=O)O)ccccc1Sc2c(cccc2)OC	826
+[O-][N+](c1ccc(NC(Nc2ccccc2I)=O)c(O)c1)=O	4291
+C(N1C(=O)c2n(CC=C)c(nc2N(C1=O)CCCC)C(=O)O)CCC	1
+O=C(n1c2c(cc1)c(ccc2)C(c3c4c([nH]c3)ncc(-c5cnccc5)c4)=O)NCCCC	814
+O=C(n1c2cccc(c2cc1)C(O)c3c4c([nH]c3)ncc(-c5cnccc5)c4)NCCCC	1235
+c1c(C2(C(=O)N(c3ccccc23)CCCCC)O)c(cc4OCCc14)O	1115
+c1cc(ccc1)C2(C(=C(C(c3c(c4ccc(cc4[nH]3)C)CNC(C)=O)c5ccccc5)C2=O)O)C	2883
+c1ccccc1C(c2[nH]c3cc(C)ccc3c2CN(C=O)C)C4=C(O)C(C)(c5ccc(cc5)C)C4=O	2883
+N1(C(=O)C=C(C=C1C)OCc2ccc(cc2CNC(OC)=O)F)c3c(C)ccc(C(=O)O)c3	1
+C1(C2C(C(=O)C1c3cc(-c4ccc(cc4)Cl)sc3CC)C5C=CC2O5)=O	9997
+c12ccn(c1CC(c3c(Cl)cccc3)C4C2C(=O)NC4=O)CCOCCOCC	4885
+c1c(cc(c(NC2=C(C(=O)OC)C=CC(=O)N2C)c1)F)Br	9998
+O=C1C=CC=CN1c2ccc(-n3cnc(CNC(c4sc(cc4)Cl)=O)c3)c(F)c2	1444
+C(=O)(CN1C(=O)C=Cc2ccc(C#N)cc12)O	4
+O=C1CC(CC(=O)C1)c2c(cccc2)O	5
+c1ccccc1CN(C2CC3C(CNC(=O)C3)C2)C	85
+C1(=O)CCC(=O)N1Cc2ccc3c(cc(C(=O)OC)nc3c2F)-c4ccc(cc4)F	9999
+O=Cc1cc(Cl)c(OC)cc1O	196
+O=S(=O)(N)c1c(N)ccc(c1)Cl	196
+O=S(=O)(Nc1cccc(c1C)OC=2C(=C(Nc3ccc(cc3F)I)N(C)C(=O)C=2Cl)C(N)=O)CC	4837
+C1CC(CCN1c2c(Cl)nc(cn2)Cl)N3CCC(Nc4c(cc(S(=O)(=O)C)cc4)F)C3=O	10000
+c1cc(ccc1-c2n(-c3ccc(cc3)S(=O)(=O)C)cnc2Cl)F	844
+OC(CCl)CC(=O)OC	10001
+c12c(c(C)cc([N+]([O-])=O)c1)ncc(Cl)c2	395
+c1c2c(c([nH]c2ccc1)-c3c(ccc(n3)Cl)O)Cl	573
+CCOC(c1cc(Cl)c(C)[nH]1)=O	573
+c1(C(=O)OC)c(c(Cl)[nH]c1)-c2cc(ccc2)C#N	2148
+ClC(c1cc(C)c(cc1)[N+]([O-])=O)=NO	761
+c1(C=O)cc2c(Cl)n[nH]c2cc1	2209
+Clc1cnc2ccc(C=O)cc2c1	395
+c1(Cl)cc(c(N)c(c1Cl)C)C(=O)O	196
+[N+]([O-])(c1cc(Cl)c(NCc2ncccc2)nc1)=O	395
+Clc1cc(OC)c(N)c([N+]([O-])=O)c1	196
+c1(c(cn(-c2c(Cl)cccc2)n1)Cl)N	697
+Nc1c2OCCCc2c(Cl)cc1F	196
+c1(Cl)cc(c(Br)s1)CO	2172
+c1(c2c(cccn2)c(Br)cc1Cl)O	3373
+c1c(cc(c(Cl)c1)N2C(CC(C)C2)C(NCC#N)=O)Br	196
+c1(cc(C#N)c(O)c(Cl)c1)-c2cc(ccn2)C(=O)OC	196
+c1(cc(-c2c(cc(c(c2C)Cl)O)C)ccc1)C=O	196
+c1c(C)c(c(cc1C(C)=O)C)Oc2c3[nH]cc(Cl)c3nc(Nc4ccc(cc4)C#N)n2	10002
+c1c(F)c(c(cc1F)F)-c2c(C)nnc(-c3ccccc3F)c2-c4cc(OC)cc(OC)c4Cl	196
+c1(Cl)cc([N+]([O-])=O)c(N)c(c1F)F	196
+O(c1ncc(Cl)c(C)c1Br)C	395
+C1(c2c(cccc2)-n3cnc(Cl)c3C4CCN14)=O	844
+O1CCOc2c1c(N)c(Cl)cc2C(=O)OCC	196
+c1(Cl)c(F)ccc2cnccc12	196
+c1cc2c(Cl)cnc(O)c2cc1	395
+Clc1ccccc1-n2c(Cl)nc3c2C(N(C(=O)N3C)C)=O	1950
+C(C=O)(Cl)Cc1ccc2c(c1)nccn2	4916
+c1(Br)c(Cl)ccc(n1)N	395
+Clc1cccc(Cl)c1CCC(=NO)Cl	1964
+c1c(N)ccc(Cl)c1CC	196
+c1c(c(-c2n(C)ncc2Cl)cc([N+]([O-])=O)c1)OC	697
+n1cc(Cl)n2cc(ccc12)CO	2772
+Cc1nc(ccc1Cl)N	395
+c1cc(-c2[nH]c(c(C(N)=O)c2Cl)NC(N)=O)cc3c1cccc3	573
+c1ccccc1-c2cc(c3[nH]c(C(NCc4cccs4)=O)c(Cl)c3c2)Cl	573
+c1cc(ccc1)C(=O)c2c(sc(Cl)c2)N	2172
+c1cc(ccc1)C2CCN(CC2)C=3C=CN(CCCC)C(=O)C=3Cl	10003
+c1cc(ccc1F)-c2n[nH]c(SC)c2Cl	697
+c1cc(ccc1S(=O)(=O)Nc2c(Cl)c(C)no2)-c3ccc(cc3)C	10004
+c1cc(ccc1C(Cl)=NO)C	761
+c1cc(ccc1C2(CC2)C(=O)OCC)-c3ccc(cc3)-c4c(cc(Cl)s4)C(=O)N	2172
+C(OCC)(Cc1ccc(N)c(Cl)c1)=O	196
+c1cc(ccc1)OCc2c(Cl)c3CN(CCn3n2)C(c4ccc(cc4)F)=O	697
+c1cc(ccc1F)C(=NO)Cl	761
+c1cc(ccc1C(=O)N2Cc3n(-c4c2cccc4)c(Cl)cc3)NC(c5c(cccc5)C)=O	2148
+c1cc(ccc1CC(C=O)Cl)OC	4916
+c1cc(ccc1CCl)OCc2ccc3ccccc3n2	2845
+c1cc(ccc1Oc2c(ccc(F)c2)Br)C(Cl)=NO	761
+Clc1cc(C(Nc2ccc(Br)cn2)=O)c(c(c1)O)N	196
+[nH]1cc(Cl)c2c([N+]([O-])=O)cccc12	573
+Clc1cc2C(=O)C(N3CCC(c(c23)c1)C(OC)=O)=O	196
+c12n3CCC(N(C(N)=O)O)c3c(Cl)c1cccc2	573
+c1cc(ccc1)-n2c(c(c(-c3cccnc3)n2)Cl)NC(=O)NC4CN(CC4c5cc(F)c(cc5)F)CCOC	697
+c1cc(ccc1)CC(NC2=NC=C(N(CC(OCC)=O)C2=O)Cl)CN=[N+]=[N-]	10005
+c1ccccc1CC(Cl)=NO	1964
+c1ccccc1S(=O)(=O)n2c3ccc(cc3c(Cl)c2)OCCNC(=O)C	573
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3cc4c(cc3)c(n[nH]4)Cl	2209
+c1cccn2c1nc(CCl)c2Cl	2772
+[nH]1c(-c2cnco2)c(c3c1cc(Br)nc3)Cl	10006
+O=S(=O)(c1cc(ccc1N)I)N	235
+c1(Cl)cc(c(O)c(c1Cl)I)C(=O)C	235
+c1c(I)cc(c(F)c1)[N+]([O-])=O	235
+[nH]1cc(I)c2c(Cl)nc(Cl)nc12	1996
+Ic1c2c([nH]c1)nccc2[N+](=O)[O-]	1361
+Ic1n[nH]c2c1cnc(C)n2	4917
+O(C)c1c(OC)ccc(-c2sc3ncc(I)n3n2)c1	4918
+O1COc2c1cc(c(I)c2)Cc3[nH]c4nc(F)nc(N)c4n3	235
+Clc1c(O)c(I)cc(c1)C(=O)OC	235
+c1(Cl)nc(CCCC)nc2c(c[nH]c12)I	3114
+c1(F)c(cc(I)c(N)c1)Br	235
+n1[nH]c(c2cc([N+]([O-])=O)ccc12)I	2866
+Nc1c(C#N)c(C)c(I)cn1	583
+c1c(cc(C)c(Nc2c(F)c3c([nH]cn3)cc2C(=O)OC)c1)I	235
+O(C)c1c(c(I)c(c(c1N)C(=O)O)C)F	235
+c1(cc(-c2cnc3[nH]cc(I)c3c2)ccc1)C=O	1361
+c1c(F)c(c(cc1)F)-c2ccc3[nH]cc(I)c3n2	3114
+Clc1ccc(F)c(c1C(C)Oc2cc(I)cnc2N)Cl	583
+c1(ncccc1)-c2c(I)c[nH]n2	1160
+Ic1nn(C)c2c1c(ncn2)O	4917
+c1(cc(Cl)c(cc1I)-c2ccccc2F)O	235
+c1c(-c2cncc(c2C(=O)OC)Nc3ccc(I)cc3F)c(ccc1)Cl	235
+c1(I)c(C#N)c(Cl)cc(c1O)C(=O)C	235
+c1cccc(-c2nn3c(nccc3Cl)c2I)c1Cl	1390
+c12c(OCO1)cc(c(c2F)I)F	235
+c1(c(I)ccc(n1)N)N	583
+c1(c(F)c(Cl)cc(c1O)C(=O)C)I	235
+C(c1cc(cc(I)c1O)F)(=O)OC	235
+c1c(ccc(c1F)Cc2cc(c(nc2)O)I)F	583
+n1[nH]c(c2cc(c([N+]([O-])=O)cc12)Br)I	2866
+c1cc(cc(F)c1F)-c2n3c(nc(Cl)c2)c(c(C)n3)I	1390
+c1ccccc1-c2nc(N)ncc2I	1154
+c1cc(ccc1)-c2nnc3c(c([nH]n3)I)c2Cl	4744
+c1ccccc1CON2c3c(C(=C(I)C2=O)OCc4ccccc4)cncn3	10007
+c1cc(ccc1-c2cc(c(cc2)O)I)C#N	235
+c1cc(ccc1-c2ccc3c(c(nnc3c2)I)O)S(=O)(=O)C	10008
+c1cc(ccc1-c2ccn3c(cnc3c2)I)F	3115
+c1cc(ccc1F)-c2c(I)n3cccc(Cl)c3n2	3115
+c1cc(ccc1-c2c(n(c(-c3ccccn3)n2)C)I)C(OC)=O	10009
+c1c(cc(c(N)c1)C#N)I	235
+c12cc(I)ccc1[nH]c3c2cccc3	235
+c1cc(ccc1I)C2C(OC(=O)C)CCCC2	235
+c1ccccc1COC(Nc2cc(I)cnc2O)=O	583
+c1ccccc1COC(=O)N2CCC34C(CCCC3)C2Cc5cc(c(cc45)O)I	235
+c1ccccc1COCc2c(c(ncn2)O)I	1154
+n1c2n(ncc(-c3cc(ccc3)C(=O)OC)c2)c(I)c1	3079
+n1c(Br)sc2n1c(I)cn2	4918
+n1c2n(nc(cc2)Br)c(I)c1	3079
+c1c(C(=O)OC)c(c(c2n1c(I)cn2)F)Nc3c(F)cc(C)cc3	3115
+Nc1ncc(cc1I)C(=O)OC	583
+Cc1n(-c2ncccc2)ncc1I	1160
+c1c(ccc(-c2nc3sccn3c2I)c1F)F	10010
+c1(c2c(ncc1)c(I)c[nH]2)C	3114
+O=C1CCC(=O)N1OC(=O)CCc2cc(C=Nc3c(O)cccc3)c(cc2)O	884
+c12-c3ccccc3C(c1cccc2)COC(NC(C(=O)ON4C(CCC4=O)=O)C(C)C)=O	884
+O=C1CCC(=O)N1OC(=O)c2c(cc(cc2)Br)Cl	10011
+C1CC(CCC1C(NCc2c(O)nc(nn2)N)=O)C(=O)OC	1280
+c1ccccc1COC(=O)N(C)Cc2[nH]c3ccccc3c2	613
+O=C1CCC(=O)N1OC(=O)c2c(OCCCN=[N+]=[N-])ccc(c2)C(=O)C	4919
+O=C1CCC(=O)N1OC(c2c(ccc(C(=O)C)c2)OCC#C)=O	4919
+C(N1CCC(C(C1)N(c2c3c([nH]cc3)ncc2)C)C)(CC#N)=O	10012
+c1cc(ccc1)CN2CC(NC(=O)ON3C(=O)CCC3=O)CCCC2	2834
+C(C(O)CCC1CCC(=O)N1)c2cccc(F)c2	100
+c1ccccc1C(N2C(OCCCCCC)CCC2=O)=O	3417
+C1(=CC(CCC1)=O)Nc2cccc(OC)c2	4407
+[nH]1c2ccccc2c3c1CCCC3=O	4920
+Clc1cc2c3C(CCCc3[nH]c2cc1)=O	4920
+c1(ccc(N)c(F)c1)N2CCCCC2=O	883
+c1ccccc1CSc2cc(F)cc(c2OC)N3C(=O)CCCC3	654
+c1ccccc1COc2c(cc3C(CCc3c2)=O)O	22
+O=C1CN(C(=O)c2cc(c(Oc3c(O)cc(CC)c(c3)F)cc2)F)CCN1C	5
+c1cc(ccc1-c2cc(C#N)nc3c2ccc(CN4C(CN(C)C4=O)=O)c3)F	10013
+c1cc(ccc1)CSc2cc(Nc3cc(Cl)ccc3)nc4c(cnn24)C=C5NC(=O)NC5=O	2021
+c1cc(ccc1)C(c2ccccc2)C3CCN(CC3)C(=O)COCC(=O)O	319
+O=S(=O)(C)OCc1c(non1)C=2N(c3ccc(c(c3)Cl)F)C(ON=2)=O	7
+O=C1c2cc(N)ccc2N=C(CF)N1c3ccc(cc3C)C	0
+c1c2N(C(=O)N(C(c2n[nH]1)=O)C)CCCC	10014
+c1cc(ccc1)COc2cccc(Oc3c(N)cc4c(N(C(=O)N4C)C)c3)c2	304
+n1(ncc(C=2c3cc(OC)c(OC)cc3C(=O)N(CC)C=2)c1)Cc4c(cccc4)F	309
+c1cnccc1-c2ncnc(N=C=S)c2	3116
+c1cc(ccc1)Oc2cc(ncn2)N=C=S	3116
+c1(ccc(Cl)c(Cl)n1)N=C=S	3116
+O=C1N(CCO1)c2ccc(N)cc2Cl	0
+c1cc(ccc1Cl)C(O)c2c(Oc3cncc(c3)Cl)cnc4N(C(=O)N(CCCOC5CCCCO5)C(=O)c24)C	10015
+O=C1N(c2cc(OC)ccc2C(C)=C1)CCN3CC(C(=O)O)N(CC3)CCc4ccc5c(c4)OCCO5	3
+O=C1c2c(cccc2)N=C(C=Cc3cccc(c3O)OC)N1c4ccc(c(c4)Cl)Cl	2066
+c1(cccc(Cl)c1C(=O)N2C(=O)N(c3ccc(c(c3)F)F)OC2=O)Cl	10016
+N1C(=O)C2(C(NC1=O)=O)Cc3cc(c(c(F)c3N4CC(C)OC(C)C24)F)C=O	39
+n1c(ccnc1SC)C=C2SC(NC2=O)=O	10017
+O=S(=O)(N)N1CCN(CC1)c2c3c(cnc2)cc(C=C4C(=O)NC(=O)S4)o3	2025
+c1(C)cc(cc(C)c1)C=C(C(O)=O)c2ccc(cc2)Oc3ccc(cc3)C=C4SC(=O)NC4=O	377
+c1c(cccc1-n2c(ncc2)C)Nc3ccn4c(n3)c(cn4)C=C5SC(NC5=O)=O	3768
+c1cc(ccc1)-c2ncnc3ccc(C=C4C(=O)NC(=O)S4)cc23	377
+c1cc(ccc1)CN2C(=O)c3ccccc3-c4cc(C=C5C(=O)NC(=O)S5)ccc24	377
+c1cc(ccc1)Cn2c3c(c(ccc3)C=C4C(NC(=O)S4)=O)cc2	377
+c1cc(ccc1)N(Cc2ccc3c(ncc(C=C4C(=O)NC(=O)S4)c3)c2)C	4921
+c1cc(ccc1-c2cc(CN(C(c3ccccc3)=O)C)ccc2)C=C4SC(=O)NC4=O	377
+c1cc(ccc1C=C2SC(=O)NC2=O)-c3cccc(C(OCC)=O)c3	377
+c1cc(ccc1C=C2SC(=O)NC2=O)OCC(Cl)c3ncc(cc3)CC	377
+c1cc(ccc1C=C2C(NC(=O)S2)=O)OCCN(c3nc4ccccc4s3)C	377
+c1cc(ccc1OC)-c2cc(Oc3ccc(cc3)C=C4C(NC(=O)S4)=O)ccc2	377
+c1cc(ccc1OCCCC(O)=O)C=C2SC(=O)NC2=O	377
+c1cc(ccc1OCCN(c2ncccn2)C)C=C3SC(=O)NC3=O	377
+c1cc(ccc1C=C2SC(=O)NC2=O)OCCc3ccc(cc3)C#N	377
+c1cc(ccc1OCCc2ccc(cn2)C(C)OCOC)C=C3C(NC(=O)S3)=O	377
+c1ccccc1C(=O)N(C)CCOc2ccc(cc2)C=C3SC(=O)NC3=O	377
+c1cc(ccc1C=C2SC(=O)NC2=O)SCCc3ccccc3	377
+c1ccccc1CN2c3c(CCC2=O)c(ccc3O)C=C4C(NC(=O)S4)=O	377
+c1ccccc1COc2cc(ccc2O)-c3ncc(cc3)C=C4SC(=O)NC4=O	4921
+c1cnccc1-c2ccnc3ccc(C=C4C(=O)NC(=O)S4)cc23	377
+c1cc(ccc1F)NC2=CC(NCC2)=O	10018
+N1c2c(cccc2F)NCCC1=S	199
+O=Cc1ccc2c(NC(=O)CS2)n1	178
+c1c(c2c(c3ccccc13)c(O)ccn2)OCCC	2197
+O=C1OC(C)(C)OC(=O)C1=CNc2cc3c(cc2OCCC)cccc3	10019
+CC1(C)OC(=O)C(C(=O)O1)C(c2c[nH]c3c(cccc23)CSC)c4ccc5sccc5c4	4922
+c1cc(ccc1C(c2c3cccc(CSCC)c3[nH]c2)C4C(=O)OC(C)(C)OC4=O)Cl	4922
+c1cc(ccc1Cl)C(c2cc(c(cc2)NC(=O)CC(O)=O)Br)=O	4923
+O(C)c1c(NC(=O)CC(=O)O)cccc1	4923
+c1cccc(N)c1C(NCCc2ncc[nH]2)=O	1338
+C=1N(C(c2c(cccc2)N=1)=O)c3c(c(ccc3)-c4cnc(c5[nH]c6c(ccc(OCCOC)c6)c45)C(N)=O)C	10020
+c1cc(ccc1NC(c2ccccc2N)=O)CC(=O)OCC	1768
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CN(C)C(c4c(N)cccc4)=O	10021
+O=C1OCCc2c(ccc(N)c2)N1C	0
+O=C1OCc2cc(ccc12)-c3ccc(OCC)c(OC)c3O	241
+c1(cc2c(cc1)N(C(=O)O2)CC=C)C=O	10022
+O=C1c2c(C(=O)N1C(c3c(Cl)nc4c(ccs4)c3)C)cccc2	2669
+c1ccc2c(c1)C(=O)N(C2=O)C3Cc4c5c(ccc(c5)C#N)[nH]c4C3	518
+c1cc(ccc1)COCCC(F)(F)CN	45
+C1COCCC1(CN)F	45
+O=C(c1c(ccc(C)c1)-c2cnn(C)c2)N3CCCC(C3CN)C	45
+C(CC#Cc1cccc(CF)n1)N	45
+C1CN(CCC1)c2c3NCCN(CCN)c3nc(n2)C#N	45
+c1(cc(Oc2cc(c(cc2I)Cl)Cl)ncc1)OCCN	45
+c12c(cccc1)ccc(OCCN)c2	45
+c1cc(cc2c1Sc3c(nccn3)N2COC)CN	45
+c1(cccc2cnccc12)OCC(C)N	45
+n1c(c(cc2ccsc12)C(C)N)-c3ncccc3	45
+O=C1c2c(cccc2)C(=O)N1C(c3ccc(cc3)-c4c(O)nccc4)C	104
+C1CN(CCN1CCCN)Cc2ccccc2	45
+O=S(=O)(c1ccc(c(O)c1)N2C(=O)c3c(C2=O)cccc3)N(C)C	668
+O=C1c2ccccc2C(=O)N1Cc3ccc(SC)cc3F	672
+C1(=O)c2ccccc2C(=O)N1Cc3sccc3	672
+O=C1c2c(cccc2)C(=O)N1c3cc(cc(F)c3)Oc4cccnc4	668
+C1(=O)c2c(C(=O)N1c3cc(c(c(O)c3)C)C(O)=O)cccc2	668
+c1c2c(ccc1)n(CC)c(C)c2C(=O)c3c(C(O)=O)cccc3	10023
+O=C1c2ccccc2C(=O)N1c3ccc(C=CC(N(C)Cc4n(C)c5c(c4)cccc5)=O)cn3	1765
+c1ccc2C(=O)N(C(=O)c2c1)c3ccccc3[N+]([O-])=O	668
+c1ccccc1C(CO)N2C(c3c(C2=O)cccc3)=O	672
+c1cc(ccc1-c2c(c(sc2)N3C(c4c(C3=O)cccc4)=O)C(=O)OCC)CC	10024
+c1cc(ccc1C(C)N2C(c3c(C2=O)cccc3)=O)Br	672
+c12c(cccc1)C(=O)N(C2=O)CCCCc3ccc(cc3)O	672
+c1ccc2CC(Cc2c1)N3C(c4c(C3=O)cccc4)=O	672
+c1ccc2C(=O)N(C(=O)c2c1)c3cc(-c4ccccc4)n[nH]3	1765
+c1cc(ccc1C(c2ccccc2C(=O)O)=O)C(C)C	1943
+c1ccc2c(c1)C(=O)N(C2=O)CCc3cc4c5c(nc(CCOC)n5CCCN6C(CCC6)=O)cnc4cc3	4924
+c12c(cccc1)C(=O)N(C2=O)CCCCC(O)c3ccccc3	74
+c1ccnc2c1CCCC2N(CCCCN)Cc3n(c4ccccc4n3)C	45
+c12c(cccc1)C(=O)N(C2=O)CCCNc3ccc(cc3F)C4=CC(=O)c5c(O4)c(F)cc(c5N)F	621
+c1cc(ccc1)C(CC)NC(c2c(OCCN)c(-c3ccccc3)nc4c2cccc4)=O	45
+c1cc(ccc1-c2c(-c3c(cccc3)Cl)nc(c(c2)C#N)OCCN)Cl	45
+S(CCN)Cc1oc(cc1)CO	45
+c1c(C(OCC)=O)c2cc(OC)cc(OC)c2c(CN)n1	45
+c1(Cl)cccc(Cl)c1-c2nc3c(c(ncc3)Nc4ncnc(c4)CN5C(=O)c6ccccc6C5=O)s2	4925
+CN(C)CCc1nnc2n1-c3ccc(F)cc3C(c4c(cccc4)Cl)=NC2	4926
+O=C1c2ccccc2C(=O)N1OCCN=[N+]=[N-]	558
+c12c(C(=O)N(C1=O)c3cc([N+]([O-])=O)c(cc3F)Cl)cccc2	31
+c1(cc(nn1Cc2ccccc2OC)N)C	1131
+C1(C)c2ccc([N+]([O-])=O)cc2C(=O)C1	31
+C(Nc1cc(F)ccc1)(Nc2cc(Cl)c(cc2)C=O)=O	124
+c1(cc(c(Cl)cc1F)C(=O)O)C	595
+Clc1c(cc(c(c1)F)C(=O)O)OCC=C	595
+c1(Cl)cc(cc(Cl)c1C(=O)O)SC	634
+c1(c(c2[nH]ccc2cc1Cl)C(=O)O)F	10025
+Cc1cc(cc(C)c1C(O)=O)OCC2CN(C)c3ccccc3O2	595
+c1c(CO)c2n(C)c(cc2cc1)C(=O)O	10026
+C(c1cc(C)c(cc1)C#N)(=O)O	595
+n1[nH]c2ccc(C(=O)O)cc2c1CCC	595
+o1c2c(cc(C(=O)O)cc2)c(c1CO)C	595
+c12ccccc1-c3ccc(C)cc3C2C(O)=O	10027
+c1c(oc2c1cc(C(=O)O)cc2)CC	595
+c1cc(ccc1)-c2ccc(cc2Cl)C(=O)O	595
+c1ccccc1Oc2cccc(Oc3ccccc3)c2C(O)=O	634
+c1cc(ccc1C(=O)O)SCCCCCCCCCC	595
+c1cc(ccc1)-c2c(C(O)=O)c3CCOc3cc2	10028
+c1cc(ccc1)COc2c(c(c(cc2)C(=O)O)F)F	634
+c1c2c(csc2ccc1)C(C(O)=O)Nc3cccc(F)c3	10029
+COc1c(F)ccc(C(Nc2cccc(c2)C(=O)N)C(=O)O)c1	4927
+C(O)(=O)C(Nc1cccc(C(=O)N)c1)c2ccc(c(CC)c2)CCOC(Nc3cccc(C#N)c3)=O	4927
+c1c2c(ccc1OC)cc(Br)cn2	10030
+c1cc(c(c(F)c1OCC)F)C=2[Se]C(=CC=2)C=CC	4928
+c1(cc(F)ccc1)C2=C(N=C3N(C(=CC=C3)C)C2=O)C(C)O	10031
+c1c2n(ccc1)ccn2	1935
+c1c(cc(c(Nc2c(C(=O)OC)cn3c(c2Cl)ncc3)c1)Cl)Br	4363
+c1ccccc1-n2ccnc2-c3cc(ccc3)OC	10032
+c1cc(ccc1-c2c[nH]c(n2)C3N(C(C(C(C)C)Nc4sccn4)=O)CCC3)Br	3030
+c1cc(ccc1CCc2sccn2)[N+]([O-])=O	10033
+c1n2c(nc1)cc(-c3cc(ccc3)C(=O)OC)cn2	3117
+c1ncncc1-c2c(-c3ccc(cc3)NCCCl)[nH]c4ncc(Cl)cc24	291
+c1c2n3c(c4cc(ccc4c2ccc1)OC)ncc3	10034
+c12nccn1cc(C#N)cc2	1935
+n1c2cc3c(cc2oc1C)CCN(CC3)CCCl	61
+c1n2c(nc1)cc(C)c(Cl)n2	3117
+c1n2c(nc1)ccc(F)n2	3117
+C(CNc1cccc2cccnc12)O	839
+c1ccccc1NCCO	291
+c12c(cncc1)[nH]c3c2c(ncn3)O	3364
+c12c(ncnc1nc(C)cc2)O	10035
+n1c2c3ccccc3oc2c(nc1)O	10036
+c1c(cc2c(ncnc2c1)O)Br	1116
+c1cc(ccc1Br)-c2ncoc2	10037
+c1cc(ccc1F)-c2c(c3c(c(c2)OC)ncnc3O)Cl	1116
+c1cc(ccc1-c2cc3c([nH]2)ncnc3O)[N+](=O)[O-]	10038
+C(C)OC(=O)c1ccnc(c1)C(=O)N	10039
+c1cc(ccn1)OCCOc2c(cc3c(ncnc3c2)O)OC	4929
+c1c2c(c(N)ncn2)ccc1	10040
+c1ccccc1CN2C3(CC3)CN(CC2)c4cc5c(cccc5)c(c4)CC(=O)N	2125
+c1ccccc1COc2c(OC)cc3ncnc(O)c3c2	4870
+n1(-c2ccc3c(c(ncn3)O)c2)ccnc1	4929
+n1sc2c(c1-c3cc(C)ccc3)ncnc2O	10041
+O=Cc1c(cncc1C)F	10042
+c1ncncc1CC(C(OC)=O)C=O	10043
+n1c(cncc1)C(c2c(Br)c(C)ccc2)O	10044
+O=Cc1cc(c(C)cc1-c2ccc(c(F)c2F)F)OCC	11
+C(O)c1c(Br)cccc1Cl	41
+c1ccccc1CCCC(c2sccc2Br)O	10045
+c1cc(ccc1-c2ccsc2C=O)Cl	1074
+c1(cccc(C)c1Nc2c(-c3c(C(O)=O)cccc3)nc4ccc(cn24)F)C	1891
+C=Cc1c2ccccc2[nH]c1C(NC)=O	10046
+c1cc(ccc1C(C)C)C(O)c2c(C)cc(C)cc2O	257
+Cc1c(OC)cc(C)c(C(C)O)c1	449
+c1cc(ccc1N=Cc2c(C)ccc(F)c2)C(OCC)=O	457
+c1c(cc(CC(c2c(Cl)cccc2F)O)c(c1)[N+]([O-])=O)Br	10047
+Clc1c(C=C)c(F)ccc1	4930
+n1c(c(cc2c(Cl)cccc12)C=O)-c3cc(ccc3)F	691
+c1(F)c(I)cccc1C=NO	135
+Clc1ccc(C=NO)c(F)c1C(=O)OC	135
+c1(c(F)c(F)c(C=O)cc1)Oc2ncc(C#N)cc2	136
+c1(Cl)c(CO)c(F)cc(C)c1	41
+N#Cc1cc(c(cc1F)CO)F	41
+c1cc(cc(c1)-c2ccc(F)c(c2)CNc3c(c(OC)ccc3F)C#N)F	208
+O=S(=O)(F)c1cc(ccc1)N=Nc2cc(c(O)c(Cl)c2)C=O	725
+Oc1c(C=O)ccc([N+]([O-])=O)c1O	5
+c1cc(ccc1-c2ccc(c(O)c2F)C=O)F	11
+c1cc([N+]([O-])=O)cc(-c2c(c(cc(C(CC(O)=O)C(=O)O)c2)-c3nc4c([nH]3)ccc(C(=N)N)c4)O)c1	622
+O=C(c1cc2c(CCC3C4CCC(=O)C4(CCC23)C)cc1OC(=O)C)O	1182
+c1(c(CO)cc(cc1Br)Br)OC	41
+COc1c(C(C)O)cc(cc1C)F	449
+c1c(c(OC)c(OC)cc1)C=COC	1417
+O=Cc1c(OC)c(Oc2cc(ccc2C#N)OC)ccc1	46
+O=Cc1c(F)ccc(O)c1O	5
+c1(OC)c2c(ccc1C(=O)O)CCC2	1775
+Fc1cc(C)c(OC)cc1C	3072
+[N-]=[N+]=NCCCOc1cc(OC)c(cc1)C=O	267
+C(O)c1cc2c(cc1OC)ncnc2Nc3cccc(Cl)c3F	41
+c1cc(ccc1OCCOCCCC)-c2ccc3N(CCC(=Cc3c2)C(=O)OC)Cc4c(OC)ccc(OC)c4	3043
+c12c(Br)cccc1cc(C(=O)OC)s2	1425
+c12cc(ccc1NC(=O)C2=Cc3c(c(C(=O)O)c(C)[nH]3)C)F	292
+c1(c(cccc1C)C#N)Cl	1421
+c1cnccc1-c2cccc3c2C(C(=O)N3)=Cc4c(C)c(CCC(O)=O)c(C)[nH]4	292
+c1(C(=O)O)sc2c(Cl)cccc2c1	4931
+c1(c(ccc(Cl)c1Cl)[N+]([O-])=O)C=O	31
+[N-]=[N+]=Nc1c(cncc1Cl)C=O	1756
+[N+]([O-])(=O)C=Cc1c(c(F)ccc1)C	417
+O=Cc1c(c(F)cc([N+]([O-])=O)c1)F	31
+c1(NC(C)=O)c(F)c(CO)c(Cl)cc1	41
+O(C)c1c(ccc(C=O)c1[N+](=O)[O-])OC	297
+c1ccccc1COc2c(OC)c([N+]([O-])=O)c(C=O)cc2	22
+c1(c(c(C)ccc1C=NO)I)F	135
+Nc1c(F)cc(C(C)O)c(c1Br)F	4932
+COc1c([N+]([O-])=O)cc(c(O)c1OC)C=O	77
+COc1cccc(c1C)C=C[N+]([O-])=O	417
+COc1cccc(C=C(S(=O)C)SC)c1Cl	10048
+COc1cccc(C=NO)c1F	135
+c1(O)c(Br)cc(c(C)c1C=O)[N+](=O)[O-]	77
+Clc1ccc(Br)c(F)c1C#N	4933
+N#Cc1c(c(C#N)c(F)cc1)Cl	1421
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3ccc(-c4ccc(c(OCCCC)c4)C=O)c(c3)C	951
+c1c(OC)c(CC=C)c(O)c(c1)C=O	423
+COc1cc([N+]([O-])=O)ccc1-c2cnco2	2288
+c1(cc(-c2cc3ccccc3s2)c(cc1OC)OC)C=O	2187
+c1cc(ccc1)COc2cc(Oc3ccc(C=O)c(c3)Br)ccc2	46
+O=Cc1c2c(cccc2)ccc1CC	1393
+C(O)c1c(ccc2ncccc12)[N+]([O-])=O	41
+c1cc(nc(F)c1)NCc2c(Cl)cccc2	811
+C1C(=O)C(c2ccccc2Cl)C1	10049
+c12c(CN(Cc3ccccc3Cl)C1)c(Nc4cc5c(nc4)cccc5)ncn2	48
+Cc1c(c(ccc1)Nc2ccccc2C=NO)C	135
+c1cc(ccn1)-c2c3c([nH]n2)ccc(-c4nn(C)c(n4)C5CN(Cc6c(F)cccc6OC)CCC5)c3	48
+c1cc2c(CN(CC2)c3nc(C#N)cc4c(CO)c(n(CC=C)c34)C)cc1	269
+O=Cc1c(nc(SC)nc1-c2ccc(cc2C)F)NC(C)CC	198
+c1(nc2c(OC)cccc2cc1CO)-c3cc(ccc3)F	269
+CN1C(Cc2cc(cc(C#N)c12)Br)C	1421
+[nH]1cc(c2c1cc(Cl)c(c2)-c3cc4OCC(CO)Oc4cc3)C(=O)O	1451
+O=S(=O)(n1c2ccccc2c(c1)C=O)C	4093
+c1cc(ccc1)Cn2cc(c3ccccc23)C=O	190
+c1ccccc1S(=O)(=O)n2cc(c3ccccc23)C=O	367
+c1ccccc1-n2c(Cl)c(c3c2cccc3)C=O	1194
+c1cnccc1C(=O)C=Cc2c3ccccc3[nH]c2C	4187
+c1cc(ccc1CO)-c2c(cc3c(c(C=O)c[nH]3)c2)Cl	11
+[nH]1cc(c2cc(ccc12)CCCl)C#N	4934
+c1cc(ccc1C)S(=O)(=O)n2ccc3c2cccc3C=O	367
+c1cc(ccc1)Cn2ccc3c(cccc23)C=O	190
+[nH]1c2cc(C)ccc2c(C=NO)c1	506
+c1(c2ccncc2c(cc1)Br)C=NO	135
+C(c1c2nc(oc2c(cc1)Br)C)=NO	506
+c1cc(ccc1)C(c2cc(Br)c(c(OC)c2)OCCOC)O	704
+c1cc(ccc1C(O)c2cc(c3c(CCO3)c2)Br)F	704
+c1(OC)cc(CO)cc(Br)c1	41
+c1(OCOC)cc(cc(Br)c1)C=C	443
+O=Cc1cc(cc(-c2cc(ccc2)[N+]([O-])=O)c1O)C(CC(OC)=O)C(=O)OC	11
+Oc1cc(C)c(c2c1CCC2)OC	2286
+O=Cc1cc(C)c(OC)cc1O	5
+c1(ccnc2cc(c(cc12)OC)OC)Oc3c(cc(C)cc3)C=O	242
+C(=C[N+](=O)[O-])c1cc(C)cs1	10050
+Oc1ccc(CCC(=O)O)cc1C=Nc2c(O)cccc2	457
+O(C)c1c(Cl)cc(c(F)c1[N+](=O)[O-])C=O	77
+c1cc(ccc1)C(O)c2cc(Cl)c(OC)cc2O	704
+n1cc(cnc1)C(c2cc3cccnc3c(Cl)c2)O	4677
+O=Cc1cc(c(O)c(Cl)c1)O	5
+c1c(cc2c(oc3c(nc(-c4cc(OC)ccc4Br)nc23)O)c1)Br	10051
+c1c(OC)ccc2sc(C(=O)OC)cc12	1425
+O=S(=O)(OCCOc1ccc(cc1C=O)OC)C	262
+c1cc(ccc1)COCCOc2c(cc(OC)cc2)C=O	8
+c1ccccc1C(=O)c2cc3c(ccc(OC)c3)o2	10052
+c1ccccc1COc2ccc(OC)cc2C=O	22
+C(O)c1c(F)ccc([N+]([O-])=O)c1	41
+C(O)c1c(ccc([N+]([O-])=O)c1)O	41
+c1(cc2c(sc(C(=O)OC)c2)cc1Br)F	1425
+O=Cc1cc(c(O)c(F)c1)O	5
+c1ccccc1COc2c(F)cc(cc2OC)C=O	22
+c1ccccc1COc2c(cc(C=O)c(O)c2)OC	22
+O=Cc1c(c(Cl)c(O)c(O)c1)Cl	2990
+O=Cc1cc(c(OC)cc1O)-c2cccs2	809
+O=Cc1cc(Br)c(cc1Cl)O	5
+c1cc(ccc1OC)C(O)c2c(Cl)cc(c(c2)Br)OCC=C	257
+c1c(c(C#N)cc(c1C)Br)F	4933
+c1ccccc1-c2c(C)c(ccc2)COc3c(Br)cc(C=O)c(O)c3	20
+C(C(CC(=O)O)c1cc(c(O)c(C=O)c1)-c2cc([N+]([O-])=O)ccc2)(OC)=O	4
+COc1c(C(C)O)cc(cc1Cl)F	449
+c1ccccc1COc2c(C=O)cc(C(=O)OC)cc2Br	22
+O=Cc1cc(cc(c1O)O)Br	5
+CC(O)c1cc(cc(c1OC)OC)Cl	449
+c1ncncc1-c2cc(c(OCCC=C)c(c2)F)C=O	4719
+O1c2cc(cc(C(C)O)c2OC1)Br	449
+c1c(c(Cl)cc(-c2c(cc(cc2)O)C=O)c1)OC	11
+O=Cc1cc(ccc1Br)Oc2cc(c(cc2)C#N)C(OC)=O	46
+c1ccccc1COc2c(cc(cc2)C(OC)=O)C=O	22
+C(CCCC)CCOc1ccc(cc1CO)Br	41
+C(CCOc1ccc(cc1CO)Br)CCCCC	41
+O=S(=O)(CC)NCc1cncc(Br)c1	10053
+N1(c2c(C(=O)N(c3ccc(Cl)nc13)C)cc(CO)cn2)CC	269
+O1c2c(OC1)c(Cl)cc(CO)c2	41
+O1c2cc(CO)cc(F)c2OC1	41
+O=S(=O)(c1c2cccnc2sc1C(c3cc4OCOc4cc3C)O)N(COCCOC)c5onc(C)c5Cl	4935
+c12OCOc1cc(c(c2)CO)F	41
+c1(cc2c(c(Cl)ccc2)nc1-c3c(cccc3)Cl)CO	269
+c1(cc2c(c(Cl)ccc2)nc1-c3c(cccc3)F)CO	269
+O=Cc1cc2c(nc1-c3c(cccc3)Cl)c(Cl)ccc2	691
+C(C=Cc1cc2c(nccc2)cc1[N+]([O-])=O)(OC)=O	530
+c1(cc2c(o1)cc(cc2)C(=O)OC)C(C)O	10054
+c1(cc2c(nc(c(c2)C=O)O)cc1O)Cl	5
+c1c2c(ccc1O)nc(Cl)c(c2)C=O	5
+c1c2c(ccc1OC)nc(Cl)c(C=NO)c2	506
+C(O)c1c(nc2ccc(cc2c1)OC)NC	269
+C(O)c1cc2ccc(cc2nc1Cl)F	269
+Cc1c2nc(c(cc2ccc1)C=O)-c3c(OC)cccc3F	691
+O=Cc1c(nc2c(OC)cccc2c1)-c3cc(ccc3)F	691
+n1cc(-c2[nH]c3cc(Br)ncc3c2)oc1	4936
+c1(cc2ncccc2cc1OC)C=COC	10055
+O=Cc1ccc(-c2ccc(cc2F)F)c(F)c1O	5
+O=Cc1c(O)c(c(cc1)Br)F	5
+O=Cc1ccc(nc1)C#N	942
+c1ccccc1COC(c2cc(c(cc2)C=O)F)=O	470
+O=S(=O)(c1c(C(c2ccc(C)cc2C)O)sc3c1cccn3)N(c4onc(c4Cl)C)COCCOC	4935
+c1ccccc1C(C=Cc2ccc(cc2F)C=CC(O)=O)=O	307
+O=Cc1ccc(Cl)c2c1n3CCCN(c4ccc(C#N)cc4C)c3n2	274
+c1cc(ccc1Br)-c2sc(cc2)C(C=Cc3c(c(Cl)c(O)cc3)Cl)=O	307
+c1cc(ccc1Br)NCc2c(-c3ccc(nc3)C(=O)NCCC(=O)OCC)cc(OC)cc2	208
+c1(sc(nc1)NCc2c(cc(OC)cc2)OC)Cl	10056
+C(O)c1ccc(OCC)cc1C	41
+O(CC)C(C=Cc1ccc(OCCOC)cc1O)=O	10057
+O(Cc1ccc(cn1)F)c2cc(F)c(cc2)C=C[N+]([O-])=O	417
+O(c1cccc(c1)F)c2ncc(CC[N+](=O)[O-])cc2	10058
+n1cc(-c2ccc([N+]([O-])=O)cc2C)oc1	2939
+c1ccccc1P(c2ccccc2)(c3ccccc3)=CC(C(OCC)=O)=Cc4c(cc([N+](=O)[O-])cc4)F	2897
+Clc1cc2nc([nH]c2cc1Cl)Sc3oc(C=O)cc3	4248
+c1ccccc1COc2ccc(c(c2C)O)C=O	22
+c12c(C(=O)N(C1=O)Cc3c4ccccc4c(C=O)cc3)cccc2	1930
+O=Cc1c(cc(C#N)cc1)CC	1393
+O=Cc1ccc(OCc2ccc(cn2)F)cc1F	412
+O=Cc1cc(Cl)c(OC)cc1F	662
+Fc1c(C(c2ccc3c(c2)ccc(OC)c3)O)ccc(OC)c1	257
+C(C=Cc1ccc(cc1O)F)(OC)=O	10059
+c1ccccc1COc2cc(O)c(cc2)C=O	22
+c1ccccc1COc2c(ccc(OCOC)c2)C=O	22
+c1cc(CO)cnc1C#N	269
+c1cc(cc(Br)c1Oc2ncc(C=O)cc2)C#N	136
+C1COC(O1)c2ccc(nc2)F	4937
+n1c(OC)ccc(CO)c1	269
+Brc1c2ccccc2ccc1C=C	443
+[N+]([O-])(=O)C=Cc1cccc(Br)c1CC	417
+c1cc(ccc1-c2nc(ccc2)C=O)C#N	119
+c1cc(ccc1OCCOC)C(CC)NC(C(=Cc2nc(Br)ccc2)C#N)=O	4463
+O=S(=O)(c1cc(Br)c(cc1)Oc2c(cccc2C)C=O)CC	46
+c1(cc(CO)ccc1)C=O	41
+c12c(CN(Cc3cccc4c3OCO4)C1)c(Nc5cc6c(nc5)cccc6)ncn2	48
+C1COC(O1)c2cccc3[nH]c(nc23)-c4ccccc4[N+]([O-])=O	4937
+c1c(CO)c2c(cc1)ccn2C	269
+c1cc(ccc1)-c2ccccc2C=O	11
+CCOC(=O)C=Cc1c(cccc1)Br	530
+c1cc(c(CNc2cc(c(Cl)cc2)NC3=C(C(=O)CCC3)C)cc1)C	208
+c1cc(c(C)cc1)C(c2c(C)cccc2)O	257
+N(=Cc1ccccc1F)O	135
+c1cccc(F)c1C(c2ccccc2F)O	257
+O=Cc1ccccc1Sc2ccc3c4c2ccc5cccc(cc3)c45	815
+c1cc(ccc1Cl)Oc2ccccc2C=O	46
+c1(I)ccccc1C=Cc2c(Br)cccc2	1521
+Oc1ccccc1C(C[N+]([O-])=O)O	10060
+c1c(C)c(c(cc1O)C)N=Cc2c(O)cccc2	457
+c1cc(ccc1)Oc2ncccc2NCc3c(O)cccc3	3118
+[N+](=O)(c1cc(c(CCNCc2c(cccc2)OC)cc1OC)OC)[O-]	42
+c1ccccc1CCN2C(Nc3ccnc(c3C2=O)Cl)c4c(cccc4)OC	4736
+c1cc(ccc1C(O)c2c(OC)cccc2)CC	704
+c1ccc2c(sc(n2)C(c3ccccc3OCOC)O)c1	10061
+c1c(C=C)c(ccc1)Sc2ccc3c4c2ccc5cccc(cc3)c45	443
+c1([N+]([O-])=O)c(cccc1)-c2nc3c([nH]2)cccc3CO	622
+C1CCCCC1=Cc2ccccc2[N+]([O-])=O	10062
+n1c2c(cccc2)c([nH]1)C=Cc3c([N+]([O-])=O)cccc3	10063
+C1COC(O1)c2sccc2	10064
+N(Cc1nc2CCOCc2c(O)n1)Cc3cccs3	1466
+c1(C=NO)ccnc2c(Br)cccc12	135
+n1ccc(C(C)O)c2cc(C#N)ccc12	449
+O=Cc1cnc(c2cc(OC)c(OCCCOC(=O)C)cc12)C(=O)c3cccc(OC)c3	3807
+O=C(O)c1cnc(C(=O)c2cccc(OC)c2)c3cc(OC)c(OCCCOC(=O)C)cc13	2038
+Fc1c(OC)cc(OC)c(F)c1NCc2c(Cl)cc(Cl)nc2	2116
+c1cnccc1-c2ncccc2OC3CCN(CC3)Cc4cnn(C)c4	678
+COc1c2n(ncc2C=NO)cc(c1)Br	4938
+O=Cc1n(C)cc(C(=O)O)c1	1
+O(CC)C(C=Cc1n(ccc1)-c2ccc(C#N)cc2C)=O	10065
+n1ccccc1NN=Cc2nc3c(cc2)cc(cc3Br)F	1698
+c12ccc(nc1c(ccc2)O)C=NO	688
+n1c(ccc2ncccc12)CO	453
+Clc1ccc(c(c1)-c2cc(ncc2)C=O)O	835
+c1(cc(cc2nc(nn12)-c3ncccc3)Br)N	10066
+O=C(c1oc(cc1)C#N)O	10067
+c1cc(ccc1-c2ccccc2S(C)=O)CC(O)(c3nc(cn3S(=O)(=O)N(C)C)CC(C)(C)CC)C	2033
+c1cc(ccc1[N+]([O-])=O)S(C2CC2)=O	2033
+CC(C)(C(=O)O)CNC(OCc1ccccc1)=O	2773
+N1(CCN(CC1C)N)C(=O)C	1651
+c1ccccc1COc2cc(ccc2)C(C(C)(C)O)S(=O)(=O)N	4939
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C)C(O)=O	3
+c1cc(ccc1)C=2C=CN(C(=O)C=2C)CCC(S(=O)(=O)C)(C(=O)O)C	3
+CC(C)S(=O)(=O)NC1CCCC1O	118
+CC(C)S(=O)(=O)NCC(C)c1cc2c(cc(OCCNS(=O)(=O)C(C)C)cc2)cc1	111
+O=S(=O)(C(C)C)NCC(C)c1ccc2c(c1)ccc(c2)OCCN	51
+O=S(=O)(C(C)C)NCC(C)c1ccc2cc(ccc2c1)O	5
+CC(C)S(=O)(=O)c1cc([N+]([O-])=O)c(cc1)Cl	31
+O=S(=O)(C(C)C)c1c(N)cc(C=C)cc1	0
+O=S(=O)(O)C(CCN=[N+]=[N-])C(OC)=O	310
+n1ccnn1-c2ccc(cc2)C=3C(F)=CN(CCC(S(=O)(=O)C)(C)C(=O)O)C(=O)C=3	3
+c1cc(ccc1-n2cccn2)CCC(S(=O)(=O)C)(C)C(=O)NO	792
+c1cc(ccc1-c2ccc(cc2)[N+](=O)[O-])CCC(C(=O)NOC3CCCCO3)(S(=O)(=O)C)C	11
+O=S(=O)(C(c1c(C)cc(C(=O)NCOCc2cnccc2)nc1)c3cc(F)ccc3F)c4ccc(cc4)F	10068
+c1ccccc1-c2ncc(CCC(S(=O)(=O)C)(C(=O)NO)C)cc2	119
+O=S(=O)(C(C)(C(OCC)=O)CCn1cc(cn1)-c2cnccn2)C	338
+O=S(=O)(C(CCc1cnc(Br)cc1)(C)C(=O)O)C	3
+O=S(=O)(C(C)(CCN1C(=O)C(=C(c2ccccc2)C=C1)C)C(OCC)=O)C	10069
+O=S(=O)(C)C(C(O)=O)(CCN1C=C(C(=CC1=O)I)F)C	3
+O=S(=O)(C(CCN1C=C(F)C(=CC1=O)C#Cc2ccccc2)(C)C(OCC)=O)C	10070
+O=S(=O)(C)C(CCn1ncc(-c2cnccn2)c1)(C)C(NO)=O	792
+O=S(=O)(C)C1CC(N(C(CC(=O)C)=S)C1)C(OC)=O	4940
+O=S(=O)(C1CN(c2n(-c3cc(Cl)ncc3)nc(C)c2)C(C1)C(O)=O)C	4
+O=S(=O)(CC(C#N)(C)NC(OCc1ccccc1)=O)C	101
+c1cc(ccc1CN(CCCn2c3c4c(nc(N)c3nc2CCCC)cccc4)C(=O)CS(=O)(=O)C)CC(OC)=O	10
+O=S(=O)(C)CCC(Cc1cccc(C#N)c1)(NC(OC)=O)C(O)=O	4
+O=S(=O)(C)CCC(Cc1cccc(C#N)c1)(C(=O)NCC(NCc2sc(C#N)cc2)=O)NC(=O)OC	207
+C(CCN1C(=O)N(c2ncn(c2C1=O)C)C)CCCCCCCC=C	10071
+O=S(=O)(C)OCCCS(=O)(=O)C	7
+O=S(=O)(C)CCCOc1ncc(-c2ccc(F)c(c2)CO)c(C)c1	49
+O=S(=O)(C)CCN1CCN(CC1)c2c(cc(N)c(c2)OC)CC	0
+O=S(=O)(C)CCN1CCN(CC1)c2c(CC)cc(c(OC)c2)[N+](=O)[O-]	34
+c1(c(c(ccc1)C#N)O)F	10072
+O=S(=O)(C)Cc1cc(N2CCOCC2)nc(-c3cc4c(cc3)[nH]nc4)n1	3119
+O=S(=O)(C)Cc1nc(nc(N2CCOCC2)c1)-c3cc4c(C)n[nH]c4cc3	3119
+O=S(=O)(C)c1cc(C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CCOS(=O)(=O)C)ccn1	7
+O=S(=O)(CC)CCCn1c(COS(=O)(=O)C)cc2cc(Cl)ccc12	7
+O=S(=O)(N(c1cccc2cc([nH]c12)C=3SC(CN=3)(C)CCOS(=O)(=O)C)C)c4cccs4	7
+O=S(=O)(C)OCC(C)NS(=O)(=O)c1ccccc1[N+]([O-])=O	7
+O=S(=O)(c1cc(ccc1)Cl)Nc2cc(nc3sc(C#CCOS(=O)(=O)C)c(-c4cc(ccc4)OC)c23)C	10073
+O=S(=O)(Nc1cccc(N2C=3N(C)C(C=C(OS(=O)(=O)c4ccc(cc4)C)C=3C(N(C5CC5)C2=O)=O)=O)c1)C	80
+O=S(=O)(OCCOC1CC2COc3c(F)ccc(F)c3C2(S(=O)(=O)c4ccc(cc4)Cl)CC1)C	7
+O=S1(=O)CCN(CCN1)S(=O)(=O)C	112
+O=S1(=O)c2cc(c(OC)cc2C(c3ccccc3)NC(CC)(C1)CCCC)CCCOS(=O)(=O)C	7
+OB(O)c1cccc(OS(=O)(=O)C)c1	444
+O=S(=O)(OC1c2c(cccn2)CCCC1)C	7
+O=S(=O)(OCC(c1cc(c(cc1)Cl)Cl)CC=C)C	7
+O=S(=O)(C)OCC(c1ccc(Cl)c(c1)Cl)CCOC2OCCCC2	7
+C1CC1(CO)COS(=O)(=O)C	7
+O=S(=O)(OCC1N2C=3N(C1)C(C=NC=3C=CC2=O)=O)C	7
+O=S(=O)(C)OCC1Cc2c(cccc2)C(N1)=O	7
+O=S(=O)(C)OCc1ncccc1	7
+O=S(=O)(C)Oc1ccccc1OC	444
+O=S(=O)(C)OCC1Oc2c3ccc(nc3c(C)cc2C1)O	7
+O=S(=O)(C)OCCCCN=[N+]=[N-]	7
+O=S(=O)(C)OCCCC1Cc2c(C(=O)N1)[nH]c3ccc(OC)cc23	7
+O=S(=O)(OCCc1sc2nc(-c3cccc(C#N)c3)nc(c2c1)N)C	7
+O=S(=O)(C)Nc1ncc(c(C)c1)Br	802
+O=S(=O)(C)Nc1cc(C=O)ccc1	80
+O=S(=O)(Oc1ccc(F)cc1Cl)C	444
+O=S(=O)(C)OC(C)c1c(c(C(=O)NCC)c(c(c1)Cl)C)-c2cc(F)cc(c2)F	7
+c1(cc(cc(F)c1)C(C2CCN(CC2)S(=O)(=O)C)CC(OC(C)C)=O)F	112
+c1(F)cc(cc(F)c1C2=CCN(CC2)C(=O)C3OC(C)(C)OC3)N4C(OC(C4)COS(=O)(=O)C)=O	7
+O=S(=O)(Nc1cn(c(C#N)c1)C)C	1374
+O=S(=O)(C)OCC1CN(C(=O)O1)c2ccc(c(F)c2)N3CC(N(CC3)C)=O	7
+O=S(=O)(C)OCC1CN(C(=O)O1)c2ccc(N3CCN(C(=O)C3)CC)c(F)c2	7
+O=S(=O)(C)OCC1CN(C(=O)O1)c2ccc(N3CC(=O)N(CCOC)CC3)c(F)c2	7
+O=S(=O)(C)OCc1nc(Cl)nc(N2CCOCC2C)c1	7
+O=S(=O)(OCc1c(F)c(ccc1Cl)NC(=O)C)C	7
+O=S(=O)(C)OCCOc1cc(c(cc1F)F)F	7
+O=S(=O)(Nc1n[nH]c2ccc(cc12)[N+](=O)[O-])C	802
+O=S(=O)(C)OCCc1cccc(c1)[N+]([O-])=O	7
+O=S(=O)(C)OCC1c2ccccc2CC1NC(c3cc4sc(c(Cl)c4[nH]3)Cl)=O	7
+O=S(=O)(OCC(CNC(=O)C)c1cccc2ccc(OC)cc12)C	7
+O=S(=O)(C)n1nc(-c2ccnc3ccc(cc23)C#N)cc1	2604
+O=S(=O)(C)OCCCn1nc(-c2cccc(I)c2)nn1	7
+c1cc(ccc1CC23CC(CN2C(N(c4cc(Cl)cc(c4)Cl)C3=O)=O)OS(=O)(=O)C)C#N	7
+c1c(OCC)c(c(cc1CCl)OCC)-c2ccc(cc2)F	438
+O=S(=O)(OCc1c2ccccc2cc(Br)c1)C	7
+O=S(=O)(C)OCc1cc(nc(c1)C)Br	7
+O=S(=O)(C)OCCc1cnn(c1)-c2nccc(C#N)c2	7
+O=S(=O)(C)OCc1coc(COC)n1	7
+c12c(C(=O)N(C1=O)CCCN(S(=O)(=O)c3ccc(cc3)C)CC(F)(F)CCOS(=O)(=O)C)cccc2	7
+O=S(=O)(C)OC1Cc2c(cccc2CC1)NC(=O)C	7
+O=S(=O)(OCCC1c2c(CCO1)cc(-c3cnccc3)cc2)C	7
+O=S(=O)(OCc1cc2cc(Cl)cc(F)c2n1CCC(OCC)=O)C	7
+O=S(=O)(OCCC1OCCc2c1ccc(c2)C(=O)N)C	7
+c12c(cccc1)C(=O)N(C2=O)C(CCCCOS(=O)(=O)C)(C#N)CF	7
+O=S(=O)(OCCOCCc1ccc2c(ccs2)c1)C	7
+O=S(=O)(Nc1cc2c([nH]cc2CC(=O)OC)cc1)C	80
+Cc1cccc(C)c1-c2c(C)c(COS(=O)(=O)C)ccc2	7
+O=S(=O)(NCCOc1cc(C)c(c(c1)C)Br)C	111
+O=S(=O)(C)OCCCn1cnc2ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)cc12	7
+O=S(=O)(C)OCCc1cccc(C2=NN(C(C=C2)=O)Cc3cccc(C(OC)=O)c3)c1	7
+O=S(=O)(OCc1c(C)c([N+](=O)[O-])ccc1)C	7
+O=S(=O)(OCCOc1cc(F)cc(F)c1)C	7
+O=S(=O)(C)Nc1cc(ccc1)-c2csc3cnc(nc23)Cl	80
+O=S(=O)(C)Nc1cccc(-c2c3nc(Cl)nc(N)c3sc2)c1	80
+O=S(=O)(C)Nc1cccc(OCC2OC2)c1	80
+O=S(=O)(C)N1CCC(Nc2cc(c(C#N)cc2)Cl)C1	112
+c1c([N+]([O-])=O)c(ccc1C=CCCl)OCOC	10074
+O=S(=O)(C)OCCOc1ccc2n(cc(CC(N3C4CC4CC3C(=O)NCc5c(F)c(ccc5)Cl)=O)c2c1)C(=O)N	7
+O=S(=O)(NCCn1c(nc2c(ncnc12)N)Sc3cc(OC)ccc3I)C	111
+O=S(=O)(C)OCCOc1ccc(-c2ccccc2F)nc1	7
+c1c(cc2c(OC(C)C(=O)N2)c1)CCl	438
+O=S(=O)(C)OC1CCCN(c2nc3ccc(cc3s2)Br)C1	7
+O=S(=O)(Nc1ccc(cc1Sc2ccc(F)cc2F)C(=O)NCC)C	80
+O=S(=O)(Nc1ccc(C(C)=O)cc1Sc2ccc(F)cc2F)C	80
+O=S(=O)(OCCCN1CCN(C(C=Cc2ccc(c(c2)Cl)Cl)=O)CCC1=O)C	7
+O=S(=O)(OCCc1oc2c(cc(cc2)-c3n4c(ccn4)nc5c3CCC5)c1)C	7
+O=S(=O)(C)OCC(O)CC1c2ccccc2CCc3sccc13	7
+c1c2c(cc(c1)CCl)N(c3c(nccn3)S2)COC	438
+O=S(=O)(OCC(N1c2ccccc2Sc3ccc(C#N)cc13)C)C	7
+O=S(=O)(Nc1c2cc(Cl)c(cc2on1)COc3cc(c(cc3)F)Cl)C	802
+O=S(=O)(OCCn1ncc(-c2cc(-c3nc4ccccc4o3)c(nc2)N)c1)C	7
+O=S(=O)(NCCOCCOc1ccc2c3c(c(nc2c1)N)nc(CCC)s3)C	111
+O=S(=O)(NCCSc1n2ccnc2ccc1)C	111
+O=S(=O)(C)OCCOc1ccc2c(ccnc2c1)-c3c4n(nc3-c5ccccn5)CCC4	7
+O=S(=O)(OCc1cnc(C#N)cc1)C	7
+O=S(=O)(C)Nc1c(cccc1)Nc2c(cnc(Cl)n2)F	80
+O=S(=O)(OC1CN(CC1)c2ccc(cn2)Br)C	7
+O=S(=O)(OCc1c(OC)ccc(I)c1)C	7
+O=S(=O)(C)Nc1c(OC)ccc(c1)Br	80
+O=S(=O)(C)OCc1ccc(C#N)c(F)c1	7
+O=S(=O)(NCc1cccc(CC(=O)OCC)c1)C	111
+O=S(=O)(Nc1cc(OC(OCC)=O)ccc1OC)C	80
+c1cc(ccc1)-c2c(C(=O)Nc3ccc(cc3)S(=O)(=O)N4c5ccccc5SC(C=C4)CCS(=O)(=O)C)cccc2	1887
+O=S(=O)(C)OCCc1c2ccccc2[nH]c1-c3ccccc3	7
+c1cc(ccc1)-c2c(ncn2C3C(CCCC3)OS(=O)(=O)C)C(=O)OCC	7
+c1cc(ccc1)-c2c3c(N(C(=O)N(C3=O)C)C)cn2CC(OS(=O)(=O)C)C	7
+O=S(=O)(OCC(c1ccccc1)C(=O)Nc2cc3c(cncc3)cc2)C	7
+c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C	7
+c1ccccc1C(c2ccccc2)N3CC(C3)NS(=O)(=O)C	111
+c1cc(ccc1)CN2CCC(COS(=O)(=O)C)C2	7
+c1cc(ccc1)COC(=O)N2CC(COS(=O)(=O)C)CCC2	7
+c1cc(ccc1)COC(CCCCS(=O)(=O)C)=O	1887
+c1cc(ccc1)COC(N(c2cccc[n+]2[O-])CCCOS(=O)(=O)C)=O	7
+O=S(=O)(Nc1ccc(c(CN(C(=O)OCc2ccccc2)CC)c1)-c3c(OC)ccc(c3)CC(OCC)=O)C	80
+c1cc(ccc1)COC(=O)c2c3cc(ccc3[nH]c2C)CCOS(=O)(=O)C	7
+O=S(=O)(OCC(c1c(cc(cc1)Br)C)COCc2ccccc2)C	7
+O=S(=O)(OCC(F)(F)COCc1ccccc1)C	7
+O=S(=O)(C)OCCCc1c(cccc1OCc2ccccc2)C(OCC)=O	7
+c1cc(ccc1)COc2ccccc2OCCOS(=O)(=O)C	7
+c1cc(ccc1)N2C(CC(COS(=O)(=O)C)CC2)=O	7
+c1cc(ccc1)NC(NC(CCCCOS(=O)(=O)C)C(=O)N2CCCCC2)=O	7
+c1cc(ccc1)Oc2c(cc(F)cc2)N(C(=O)C)Cc3c(ccc(OC)c3)OCCOS(=O)(=O)C	7
+c1cc(ccc1)Oc2cc(c(cc2C3=CN(C)C(=O)C=C3)NS(=O)(=O)C)C	80
+O=S(=O)(NC(=O)c1ccc(c(-c2c(nccc2)OC)c1)Oc3ccccc3)C	4358
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCCC3(CCCCC3)CCOS(=O)(=O)C	7
+c1cc(ccc1-c2c(c3cc(Br)c(cc3o2)NS(=O)(=O)C)C(OCC)=O)F	80
+O=S(=O)(C)NCc1cccc2c(O)nc(-c3ccc(cc3)CN4CCN(CC4)C)cc12	111
+c1cc(ccc1-c2ccc(C=O)s2)CCl	438
+c1cc(ccc1-c2ccc(cc2)C(C)=NOCCOS(=O)(=O)C)F	7
+c1cc(ccc1C2CC2CCOS(=O)(=O)C)-c3ccc(cc3)C#N	7
+c1cc(ccc1-c2cc3c(cc2)oc(CCOS(=O)(=O)C)c3)C#N	7
+c1cc(ccc1NS(=O)(=O)C)-c2c3nccn3ccc2	80
+c1cc(ccc1-c2csc(-c3c(C)sc(c3)C(=S)OC)n2)NS(=O)(=O)C	80
+c1cc(ccc1-c2nc(COS(=O)(=O)C)cc(N3C(C)COCC3)n2)NC(=O)Nc4nocc4	7
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCCOS(=O)(=O)C	7
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCOS(=O)(=O)C	7
+O=S(=O)(C)OCc1c2c(nc(-c3ccc(cc3)OCOC)c1)n(nc2C)C4CCCCO4	7
+O=S(=O)(C)Nc1cc2oc(c(C(=O)NC)c2cc1Br)-c3ccc(cc3)C#N	80
+c1cc(ccc1-c2sc(cn2)C(Nc3nccc(N4C(COC4=O)C(OS(=O)(=O)C)C)n3)C)Cl	7
+c1cc(ccc1CCOS(=O)(=O)C)-n2c(CC)nc3c2cc(c(C(N)=O)c3)Cl	7
+C1CCCC1(c2ccc(cc2)Br)COS(=O)(=O)C	7
+O=S(=O)(C)OCCCc1ccc(cc1)Br	7
+C1CN(CCN1S(=O)(=O)C)c2ccc(cc2)Br	112
+O=S(=O)(C)OCCC#Cc1ccc(cc1)-c2cn3c(cc(C)cc3)n2	7
+c1cc(ccc1C(Oc2cc(OC)c(OC)cc2)CCCOS(=O)(=O)C)C#N	7
+c1cc(ccc1C(CCOS(=O)(=O)C)n2cncc2)C#N	7
+c1cc(ccc1C#N)CCOS(=O)(=O)C	7
+c1cc(ccc1C(C(Nc2c(-c3cc(OC)c(cc3)OC)nccc2)=O)OS(=O)(=O)C)C	10075
+c1cc(ccc1NS(=O)(=O)C)C(=O)C	80
+O=S(=O)(C)Nc1c2c(ccc1)n(C(CC(=O)OC)(c3ccc(cc3)Cl)CC)cc2	80
+c1cc(ccc1C2(CCC2)C(N3CC(CCC3)COS(=O)(=O)C)=O)Cl	7
+c1cc(ccc1C2(CC3CC2CC3)c4ccc(cc4)-c5nc(on5)COS(=O)(=O)C)OCc6ncccc6	7
+CC1(C)C(=C(c2ccc(cc2)F)c3c(O1)cc(cc3)NS(=O)(=O)C)F	80
+c1cc(ccc1Br)C2=NOC(C2)COS(=O)(=O)C	7
+c1cc(ccc1Cl)C2N(C(C(CC2c3cccc(Cl)c3)(CC=C)C)=O)C(CN(C)S(=O)(=O)C)CC	112
+O=S(=O)(C)OC1CC(OC1)c2ccc(cc2)Cl	7
+O=S(=O)(C)OC1CC(c2ccc(cc2)Cl)OCC1	7
+c1cc(ccc1C=2CCN(C(=O)OCc3ccccc3)CC=2)N4CC(COS(=O)(=O)C)OC4=O	7
+c1cc(ccc1Cl)CC(C(C)OS(=O)(=O)C)c2cc(ccc2)C#N	7
+O=S(=O)(N1CCC(c2ccc(cc2)CC(N)C(=O)OC)=CC1)C	990
+c1cc(ccc1NS(=O)(=O)C)CC(O)=O	80
+c1cc(ccc1CC(OC)=O)CN(CCCOS(=O)(=O)C)CCCN2C(Nc3c(nc(nc23)OCCCC)N)=O	7
+c1cc(ccc1CCCOS(=O)(=O)C)-c2c(F)c(c(cc2)OCC)F	7
+O=S(=O)(C)OCCCc1ccc(cc1)CCCCC	7
+c1cc(ccc1CCNc2c(c(CC)ncn2)C(OCC)=O)CCOS(=O)(=O)C	7
+O=S(=O)(OCCc1ccc(cc1)CCCCCCCC)C	7
+c1cc(ccc1CCOS(=O)(=O)C)OCCCN2CCCCCC2	7
+c1cc(ccc1CCOS(=O)(=O)C)CCOC2OCCCC2	7
+O=S(=O)(C)N(Cc1ccc(cc1)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C)C	112
+c1cc(ccc1-c2c(Br)cccc2)COS(=O)(=O)C	7
+c1cc(ccc1-c2nccnc2)COS(=O)(=O)C	7
+O=S(=O)(OC1CN(C(=O)OCc2ccc(cc2)[N+]([O-])=O)CC1)C	7
+O=S(=O)(OC1CN(C1)c2scc(n2)C(=O)NC3CN(CC3)C(=O)OCc4ccc(cc4)[N+]([O-])=O)C	7
+O=S(=O)(OCCOCCOCCOCc1ccc(cc1)OC)C	7
+c1cc(ccc1Cc2[nH]c3ccccc3n2)C(N4CCC(C4)OS(=O)(=O)C)=O	7
+O=S(=O)(OCCn1ccc2cc(ccc12)C#Cc3ncc(cc3)-c4ccc(cc4)Cl)C	7
+c1cc(ccc1OCCOS(=O)(=O)C)C#Cc2ncc(-c3ccc(cc3)Cl)nc2	7
+O=S(=O)(C)OCCC#Cc1ccc2c(snc2-c3ccc(cc3)Cl)c1	7
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCOS(=O)(=O)C	7
+C1CCCCC1C(c2n(-c3ccc(cc3)Cl)nc4CCCc24)COS(=O)(=O)C	7
+O=S(=O)(C)OCc1noc(C)c1-c2c(C(c3ccc(cc3)Cl)=O)cccc2	7
+O=S(=O)(C)OC1C(c2ccc(cc2)Cl)COCC1	7
+c1cc(ccc1Cl)CNC(=O)C2=CN(c3cc(sc3C2=O)CCl)CC(=O)N(C)OC	1732
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(N(CC)C=2)sc(CCl)c3)=O	1732
+c1cc(ccc1Cl)CNC(C=2C(=O)c3cc(CCl)sc3N(C=2)CCOC)=O	1732
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(N(C)C=2)c(I)cc(CCl)c3)=O	438
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(N(C=2)C)c(c(CCl)s3)C)=O	1732
+O=S(=O)(c1ccc(cc1)Cl)C(c2c(F)ccc(F)c2)c3c(cnc(NS(=O)(=O)C)c3)C	802
+O=S(=O)(C)Nc1c(Br)cc2c(oc(-c3ccc(cc3)F)c2C(=O)OC)c1	80
+O=S(=O)(OCCCN1c2c(C=3C=CC(=O)N(c4c(cccc4)C)N=3)c(-c5ccc(cc5)F)nn2CC1)C	7
+c1cc(ccc1F)-c2n3c(cc2C(OCC)=O)cc(cc3)COS(=O)(=O)C	7
+c1cc(ccc1F)-c2c(c3c(cc(c4OC(C)Cc34)NS(=O)(=O)C)o2)C(OC)=O	80
+c1cc(ccc1F)C(NC2CCN(CC2)S(=O)(=O)C)=O	112
+c1cc(ccc1F)CCN2CCC(C(COS(=O)(=O)C)C2)C	7
+c1cc(ccc1C(=O)N2CC(CC2)OS(=O)(=O)C)I	7
+c1cc(ccc1C(CC2CCCC2)C(=O)Nc3sccn3)NS(=O)(=O)C	80
+c1cc(ccc1NS(=O)(=O)C)C(OCC)=O	80
+c1cc(ccc1N(c2c3c(nc(C)n2)cccc3)C)NS(=O)(=O)C	80
+C1(c2ccccc2C(=O)N1CCCOc3ccc(cc3)NS(=O)(=O)C)=O	80
+O=S(=O)(C)OCCc1cccc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)c1	7
+c1cc(ccc1N2C(=O)C(COS(=O)(=O)C)CC2)Cl	7
+c1cc(ccc1S(=O)(=O)NC(COS(=O)(=O)C)C(Nc2ccc(cc2)CC(OCC)=O)=O)F	7
+c1cc(ccc1OC)-c2nc(oc2-c3ccc(cc3)OCCOS(=O)(=O)C)OC	7
+c1cc(ccc1OC)CCCCOS(=O)(=O)C	7
+c1cc(ccc1OC)CN2C(=O)C(=CC(=N2)COS(=O)(=O)C)Br	7
+c1cc(ccc1OC)COc2cc(COS(=O)(=O)C)c(-c3cc(OC)ccc3F)cc2	7
+O=S(=O)(C)N1CCC(C1)Oc2ccc(cc2)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5	112
+O=S(=O)(OCC(COc1ccc(cc1)C#N)O)C	7
+c1cc(ccc1CCl)OCC=C	438
+O=S(=O)(Oc1ccc(cc1)OCCCc2ccc(cc2)OCc3ccccc3C(OC)=O)C	444
+c1cc(ccc1CC(C)(C(=O)OCC)Oc2ccc(cc2)C(C)C)OCCOS(=O)(=O)C	7
+c1cc(ccc1OCCOS(=O)(=O)C)CC(C)(CCCc2ccccc2)C(=O)OCC	7
+O=S(=O)(C)OCCOc1ccc(cc1)Cc2c(nn3c2nc(cc3C)C)CC	7
+c1cc(ccc1OCc2ccccc2)CCCCOS(=O)(=O)C	7
+O=S(=O)(C)OCCCc1ccc(cc1)OCc2ccccc2	7
+O=S(=O)(Oc1ccc(cc1)OCCc2ccc(cc2)OCc3ccccc3C(OC)=O)C	444
+c1cc(ccc1OCc2ccccn2)-c3nc(CCOS(=O)(=O)C)c(C)o3	7
+C(OC)(=O)C(C(OC)=O)(CNS(=O)(=O)c1ccc(cc1)OCC#CC)N2CCN(CC2)S(=O)(=O)C	112
+O=S(=O)(Oc1cc2c(cc1)OCC(O2)COS(=O)(=O)c3ccc(cc3)C)C	444
+O=S(=O)(C)Nc1ccc(cc1)SCCCCl	80
+c1cc(ccc1[N+]([O-])=O)COC(=O)N2C(COCC(O)=O)CC(OS(=O)(=O)C)C2	7
+c1cc(ccc1[N+](=O)[O-])NS(=O)(=O)C	80
+C1CC(CCN1S(=O)(=O)C)Oc2ccc(cc2)[N+]([O-])=O	112
+c1cc(ccn1)CN(S(=O)(=O)C)Cc2cc(-c3nc(Cl)ncc3)ccc2	112
+O=S(=O)(OCC1ON=C(C1)c2ccc(Br)cn2)C	7
+O=S(=O)(Nc1c(ccc2C(C#N)CCCc12)OC)C	80
+O=S(=O)(C)N1CCCc2c1ccc(Br)c2	1632
+c1cc2nc(SC)sc2cc1CCl	438
+O=S(=O)(C)Nc1c(cccc1)C(=O)OCC	80
+O=S(=O)(Nc1ccccc1C#Cc2c3nc(nn3ccc2)Cl)C	80
+O=S(=O)(C)NC1CCCOc2c1cccc2	111
+O=S(=O)(C)OCCc1cccc2ccc(OC)cc12	7
+O=S(=O)(OCc1ccc(cc1C)-c2c(cccc2)Cl)C	7
+c1cc2c3ccccc3n(c2cc1)CCCOS(=O)(=O)C	7
+O=S(=O)(OCCn1c2cc(-c3ccccc3)cc(C)c2nc1CCC)C	7
+c1ccccc1C(=O)OC2C(F)CN(CC(CC#N)OS(=O)(=O)C)CC2	7
+c1ccccc1-c2nc3c(c(C(=O)NC(CC)c4ccccc4)c2CNS(=O)(=O)C)cccc3	111
+c1ccccc1C(=O)OC2(CC2)CCOS(=O)(=O)C	7
+O=S(=O)(C)OC(c1ccc2nccnc2c1)c3ccccc3	7
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)COS(=O)(=O)C	7
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(COCc4ccccc4)OS(=O)(=O)C	7
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(F)nc(CCCOS(=O)(=O)C)c4	7
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(CCOS(=O)(=O)C)nc4	7
+c1ccccc1C(c2ccccc2)C3OCCC(C3)OS(=O)(=O)C	7
+c1ccccc1C2(CC2)c3nc4c(nc(-c5ccc(cc5F)CCNS(=O)(=O)C)s4)cc3	111
+c1cc(ccc1)CC(CCCc2ccccc2C(=O)OC)OS(=O)(=O)C	7
+c1cc(ccc1)CC2NC3(CCN(CC3)S(=O)(=O)C)N(Cc4ccccc4)C2=O	112
+c1ccccc1COC(NC(COS(=O)(=O)C)C)=O	7
+O=S(=O)(OCCCCNC(=O)OCc1ccccc1)C	7
+c1ccccc1COC(=O)c2ccc(cc2)-c3cc(C)c(c(c3)C)OCCOS(=O)(=O)C	7
+c1ccccc1COC(N2c3c(cc(N4CC(COS(=O)(=O)C)OC4=O)cc3)CCCC2)=O	7
+c1ccccc1COC(=O)NC(COS(=O)(=O)C)COC	7
+c1ccccc1COC(=O)NCCCCN(CC)S(=O)(=O)C	112
+O=S(=O)(C)Nc1c(ccnc1)OCc2ccccc2	1374
+O=S(=O)(C)OCc1c(ccc(C=O)c1)OCc2ccccc2	7
+c1ccccc1COc2ccc(cc2)N(c3ccc(cc3)C(COS(=O)(=O)C)C)C	7
+c1ccccc1COc2c(cc(CN(CCc3ccccn3)C(=O)CCCCc4ccccc4)cc2)COS(=O)(=O)C	7
+c1ccccc1COc2ccc(cc2NS(=O)(=O)C)OCC#N	80
+O=S(=O)(C)OCCNc1ccccc1	7
+c1ccccc1Nc2cc(N3CCN(CC3)S(=O)(=O)C)ccc2[N+]([O-])=O	112
+c1cc(ccc1CC(Oc2ccccc2)C(OCC)=O)OCCOS(=O)(=O)C	7
+O=S(=O)(C)OCCCCCCCCCCCOc1ccccc1	7
+O=S(=O)(C)OCCCCCCCOc1ccccc1	7
+c1ccccc1OCc2oc(c(CCOS(=O)(=O)C)n2)C(=O)OCC	7
+O=S(=O)(Nc1cc(ccc1Oc2ccccc2)O)C	80
+O=S(=O)(Nc1c(Oc2ccccc2)ccc(c1)OC)C	80
+c1ccccc1P(c2ccccc2)(=O)c3ccc4c(cccc4)c3-c5c6c(ccc5NS(=O)(=O)C)cccc6	80
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCc3cccc(CCl)c3	438
+O=S(=O)(Nc1c(cccc1)-c2ccncc2)C	80
+O=S(=O)(N1Cc2c(CC1)c(ncc2)Nc3cc(-c4cc5ccccc5cn4)c(C)cc3)C	112
+C1CC(CCC1OS(=O)(=O)C)Oc2ncc(cn2)CC	7
+c1nc2Nc3cc(ccc3Sc2nc1)CCl	438
+O=S(=O)(C)OCc1ccc2c(sc(n2)Br)c1	7
+O=S(=O)(n1c(C)c(c(C)n1)-c2ccc3n(c(cn3)C(Nc4c(C)ccc(-c5noc(n5)C)c4)=O)c2)C	2604
+O=S(=O)(OCCc1cc(ccc1)Nc2ncc3CC(c4c(cccc4)-c3n2)c5c(cccc5)F)C	7
+O=S(=O)(OCc1cnc(cc1)F)C	7
+O=S(=O)(C)OCCn1c2c(c3nc(-c4occc4)nn3c(n2)N)cc1	7
+n1cc(cnc1N2CCC(CC2)CCCOS(=O)(=O)C)CC	7
+n1cc(cnc1N2CCC(CC2)OS(=O)(=O)C)CC	7
+n1cc(cnc1N2CCC(CC2)OS(=O)(=O)C)CCC	7
+O=S(=O)(OCCc1c2ccccc2on1)C	7
+O=S(=O)(C)N(c1c(N)cc(Br)cc1)C	0
+c1cc(ccc1N(S(=O)(=O)C)C)C(NCC2N(CCN(c3ccccc3)C2)Cc4ccccc4)=O	513
+O=S(=O)(N(C)c1ncc(c(c1)C)-c2cc(Cl)ccc2OC(C)C(=O)O)C	89
+O=S(=O)(C)Nc1cc(Br)ncc1I	4941
+O=S(=O)(C)Nc1c(I)cc([N+]([O-])=O)cc1	4941
+C1CN(CCC1)c2cc(ccc2N)N(C)S(=O)(=O)C	0
+O=S(=O)(C)N1CC(N(Cc2oc3c(C(=O)N(C)C=C3Br)c2)CC1)C	2693
+O=S(=O)(C)N1CC(Nc2nc(nc(Nc3ccc(c(c3)Cl)F)n2)Cl)CC1	387
+O=S(=O)(C)N1CCN(CC1)C(C(NC(=O)c2ccc(cc2)F)CCCO)=O	21
+O=S(=O)(C)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)c2ccc(cc2)F	4
+O=S(=O)(C)N1CCN(CC1)C(=O)C(CCCNC2C(C2)c3ccc(cc3)F)NC(c4ccc(cc4)F)=O	110
+O=S(=O)(C)N1CCN(CC1)C(=O)C(CCC=O)NC(c2ccc(cc2)F)=O	24
+c1nc(ncc1CC)N2CCC(CC2)CCCOc3cc4CCN(S(=O)(=O)C)Cc4cc3	262
+c1cc(ccc1Cl)C(=O)c2ccc3N(S(=O)(=O)C)CC(c4cccc(Cl)c4)c3c2	222
+c1cc(ccc1)-c2c(c3ccc(cc3[nH]2)OC)Cc4nc(C(=O)NS(=O)(=O)C)ccc4	741
+O=S(=O)(C)NC1CCCCC1N2C(=O)c3c(C(C(=O)O)C2c4c(cc(cc4)Cl)Cl)cccc3	3
+O=S(=O)(Cc1ccccc1)NC(C2c3ccccc3C(=O)N(C4C(CCCC4)NS(=O)(=O)C)C2c5ccc(cc5Cl)Cl)=O	344
+O=S(=O)(C)NCCc1cc2ccc(cc2cc1)OCCNC(c3ccccc3)=O	93
+O=S(=O)(C)NCCc1cc2c(cc(OCCN)cc2)cc1	51
+O=S(=O)(C)NCCc1ccc2c(ccc(O)c2)c1	5
+O=S(=O)(C)NCc1c(F)cc(C(C)C(O)=O)cc1	3
+O=S(=O)(C)NCc1cc(cc(-c2c(c(N)ccn2)N)c1)F	13
+c1cc(ccc1-c2c(C(=O)O)c3c(o2)cc(c(Br)c3)NS(=O)(=O)C)F	1
+O=S(=O)(Nc1ccc(C=O)cc1F)C	674
+C1CC(CCN1c2ccc(cc2)C(=O)NCCC(=O)OCC)NCC(O)c3cc(NS(=O)(=O)C)c(O)cc3	87
+C1CC(CCN1c2ccc(cc2)C(=O)O)NCC(O)c3cc(NS(=O)(=O)C)c(O)cc3	87
+O=S(=O)(C)Nc1cc(ccc1O)C(O)CNCCc2ccc(cc2)OCCOCc3cc(ccc3)C#N	132
+O=S(=O)(C)Nc1c(ccc(c1)N)OC2CCCCC2	0
+O=S(=O)(C)Nc1ccc(cc1OCC2CC2)N	0
+O=S(=O)(C)Nc1c(c(Br)cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)c1)OCc4cccc(c4)N	0
+c1cc(ccc1C2CCN(CC2)C(c3ccc(c(NS(=O)(=O)C)c3)C)=O)CN	107
+O=S(=O)(Nc1c(cccc1)C(O)=O)C	6
+O=S(=O)(C)Nc1ccccc1C(=O)N2CC(C(=O)O)CCC2	3
+O=S(=O)(C)Nc1cccc2n(ccc12)C(CC)(c3ccc(cc3)Cl)CCO	95
+O=S(=O)(Nc1n[nH]c2ccc(NS(=O)(=O)c3cc(F)ccc3)cc12)C	69
+O=S(=O)(C)n1c(cc2c1cc(Br)nc2)-c3cnn(C)c3	4711
+c1ccccc1CN(Cc2ccccc2)CC(c3c(ccc(NS(=O)(=O)C)c3)F)=O	676
+O=S(=O)(Nc1cc(ccc1)C(C)O)C	449
+O=S(=O)(Nc1cc(Nc2c(cc(cn2)OCCOC)-c3nc(nc(N)n3)C)cnc1C)C	2097
+O=S1(=O)c2cc(ccc2N=C(C3=C(C4C(CCC4)N(Cc5cc(C)c(cc5)F)C3=O)O)N1)NS(=O)(=O)C	4942
+O=S1(=O)c2cc(ccc2N=C(C=3C(=O)N(C4C(C5CCC4C5)C=3O)Cc6cc(C)c(cc6)F)N1)NS(=O)(=O)C	4942
+c1cc(ccc1F)CN(C(=O)CC2=NS(=O)(=O)c3c(N2)ccc(NS(=O)(=O)C)c3)C4C(C(=O)OC)CCCCCC4	10076
+c1cc(ccc1F)CN(C2CCCCC2C(OC)=O)C(=O)CC3=Nc4c(S(=O)(=O)N3)cc(cc4)NS(=O)(=O)C	10
+O=S(=O)(C)Nc1cc(c(C(NO)=N)cc1)Cl	181
+O(C(=O)CCc1c(cc(OCCC(Oc2c(cc(cc2)CC)Oc3c(cccc3)C)C)cc1)CC)CC	624
+[N-]=[N+]=NC(C)C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O	298
+C1COCCC1C(N=[N+]=[N-])C	298
+[N-]=[N+]=NC(CC)CCCCCC	298
+C(OCCO)C1CC(SC(=O)C)CN1C(OCC=C)=O	4943
+[N-]=[N+]=NC1CCc2c(c(ccc2)NC(C)=O)C1	298
+N(=[N+]=[N-])CC(c1c(F)cnc(Br)c1)(O)C	133
+c1c(c(ccc1O)O)C(OCC(C)CC)=O	10077
+O=C1c2c(C(=O)N1CC(F)(F)CCOCc3ccccc3)cccc2	896
+c1c2c(CCc3ccccc3C2CC(O)CN=[N+]=[N-])sc1	133
+c1ncn(c1)CC(c2ccc(c(c2)Cl)Cl)CCOC3OCCCC3	1193
+O=C1c2c(C(=O)N1CC3(CCOCC3)F)cccc2	896
+CC(OC1CC2C(C(CCC2(C)C1=C)C3(C)C(COC(=O)C)CC(OC(=O)C)CC3)CN=[N+]=[N-])=O	133
+[N-]=[N+]=NCC1OC(=O)N(c2ccc(N3CC(N(CC3)CCOC)=O)c(F)c2)C1	133
+[N-]=[N+]=NCC1OC(=O)N(c2ccc(N3CC(N(CC3)CC)=O)c(F)c2)C1	133
+[N-]=[N+]=NCC1OC(=O)N(c2ccc(N3CC(N(CC3)C)=O)c(F)c2)C1	133
+[N-]=[N+]=NCC1OC(=O)N(c2cc3c(cc2)c(C)no3)C1	133
+N1CC(CN=[N+]=[N-])c2c1cccc2	133
+N(=[N+]=[N-])CC1NC(c2c(C1)cccc2)=O	133
+[N-]=[N+]=NCC1Oc2c(Cl)cccc2C1	133
+O=S(=O)(c1cc(ccc1)F)c2ccc3CCC(CN=[N+]=[N-])Oc3c2	133
+[N-]=[N+]=NCC1Oc2c3ccc(O)nc3c(C)cc2C1	133
+C(COc1ccc(c([N+]([O-])=O)c1)C)C	262
+O=S(=O)(C)OCCCCc1cc2c(cc1)c(ns2)-c3ccc(cc3)Cl	213
+FC(F)=C(CCOC(c1cnc(SC)nc1C)=O)C	1986
+FC(F)=C(C)CCOC(c1cnc(OCCCC)cc1)=O	1986
+c1ccc2C(=O)N(C(c2c1)=O)CCC3CCCN(c4ccc(cc34)Cl)C(c5cnc(cc5)NC(c6ccccc6Cl)=O)=O	896
+[N-]=[N+]=NCCCC1NC(c2[nH]c3c(cc(OC)cc3)c2C1)=O	133
+C(CCc1cccnc1)C(SCC(=O)OCC)CCCCN=[N+]=[N-]	133
+c1cc(ccc1NCCCCCCCCCCCOc2ccccc2)C(OCC)=O	2127
+O=S(=O)(CCCOc1ccc([N+]([O-])=O)c(OC)c1)C	262
+c12c(cccc1)C(=O)N(C2=O)CCCc3ccc(cc3)CCCCC	896
+c1ccccc1COc2ccc(cc2)CCCNc3ccc(cc3)C(OCC)=O	2127
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCN(C)C(=O)OCC	123
+[N-]=[N+]=NC1C(CN(CCN2c3cc(cc(F)c3C=CC2=O)F)CC1)O	2848
+c1ccccc1NCCn2c3ncnc(N)c3c(-c4cc(cc(F)c4)OC)n2	2827
+c1cc(ccc1C(OCC)=O)NCCOc2c3c(ccc2)cccc3	2127
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)C=O	262
+c1cc(ccc1OCCc2ccc(cn2)C(C)OCOC)C=O	885
+c1ccc(cc1CCn2c(cc(C)n2)[N+]([O-])=O)C=3C=CC(=O)N(Cc4cc(C(=O)OC)ccc4)N=3	1593
+COc1cc2c(cc1)cccc2C=C	10078
+c1cc(ccc1CN(C)CCc2cnn(c2)-c3nccc(C#N)c3)F	123
+C1CCCCC1CCCCc2n(c3c(cccc3)n2)CCOc4c(C(=O)OC)cc(CC5C(NC(=O)S5)=O)cc4	262
+c1cc(ccc1C=O)OCCn2ccc3ccccc23	262
+C1CN(CCN1Cc2cc(ccc2OCc3ccccc3)C=O)c4ccccc4	2141
+[N-]=[N+]=NCc1cc(nc(C)c1)Br	2289
+[N-]=[N+]=NCc1ccc(c(c1)F)C#N	2289
+c12cc(OC)c(OC)cc1n(cn2)Cc3ccc4nc(sc4c3)Br	10079
+c1cc(ccc1CN2C(C)(C)CN(Cc3ncc([N+]([O-])=O)cc3)CC2)OC	2019
+CC1(C)OC(C)(C)OC1c2nc(sn2)Nc3c(cc(Sc4ncccc4)cn3)Oc5c(C)nn(C)c5C	10080
+O=S(=O)(C)OCc1ncc(cc1)[N+]([O-])=O	710
+O=S(=O)(C)OCCc1coc2cc(Oc3sc4ccccc4n3)ccc12	710
+c1ccccc1CN2C(C)=CC(C3=C2N(C)C(N(CCCCC(C)OS(=O)(=O)C)C3=O)=O)=O	710
+CC(C)(NS(=O)(=O)C)CNc1c(cnc2c1ccc(OCc3ccccc3)c2)[N+]([O-])=O	2804
+c1ccccc1COc2ccc3c(c2)c4n(c(nc4cn3)COCC)CC(C)(C)NS(=O)(=O)C	2804
+O=S(=O)(Oc1c(cc(OC)c(c1)[N+]([O-])=O)C)C	297
+O=S(=O)(Oc1cc(c(F)cc1Cl)-n2nc(c([N+](=O)[O-])c2C)C)C	1733
+O=S(=O)(C)Oc1cc(c(cc1Cl)F)N	0
+O=S(=O)(Oc1cc(c(cc1Cl)F)NN)C	427
+c1cc(ccc1CCOc2ccc(cc2)OS(=O)(=O)C)CC(C(OCC)=O)OCC	20
+O=S(=O)(C)Oc1cccc(c1)C2(NC(N(C)C2=O)=N)c3ccc(F)c(-c4c(F)ncc(Cl)c4)c3	305
+O=S(=O)(c1c(CO)ccc(Br)c1)C	88
+O=S(=O)(C)c1c(c(C(N2CCN(CC2)c3ccc(S(=O)(=O)C)cc3F)=O)c(F)cc1)F	30
+c1cc(ccc1N2CCN(CC2)C(=O)c3c(ccc(S(=O)(=O)C)c3F)F)C#N	30
+c1cc(ccn1)-c2cccc(c2-c3ccc(cc3)OCc4ccc5ccccc5n4)S(=O)(=O)C	412
+O=S(=O)(C)c1ccc(cc1-n2cncc2)-c3c(nc(N)s3)C	1176
+O=S(=O)(C)c1c2c(c(F)c(F)c1)[nH]c3c2ncc(Br)c3	10081
+O=S(=O)(C)c1ccc(F)cc1NC(c2c(OC)c(C)cc(F)c2)C	60
+O=S(=O)(C)c1c(NC(c2cc(Cl)cc(OC)c2OC)C)cc(F)cc1	60
+O=S(=O)(C)c1c(NC(C)c2cc(cc(Cl)c2OC)F)cc(F)cc1	60
+O=S(=O)(c1c(F)ccc(c1)-c2cc(C=O)ccc2OC)C	11
+O=S(=O)(c1ccccc1-c2c(C(=O)OC)cc3ncc(F)cc3n2)C	10082
+O=S(=O)(C)c1cccc(c1)C2CCCNC2	1446
+O=S(=O)(c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCN)C	18
+O=S(=O)(C)c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCO	237
+O=S(=O)(C)c1cc(C(CCN=[N+]=[N-])NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)ccn1	133
+O=S(=O)(C)c1cc(Cl)c(Oc2c(ccc(CC(O)=O)c2)Cl)cc1	3
+c1cc(ccc1)-c2c(C(OC)=O)c(cc(c2)S(=O)(=O)C)Cl	3022
+O=S(=O)(N(CC(C)C)Cc1ccc(o1)-c2cccc(c2)S(=O)(=O)C)c3c(cccc3)Cl	1242
+O=S(=O)(NCc1sc(cc1)-c2cccc(S(=O)(=O)C)c2)c3cccc(Cl)c3	268
+O=S(=O)(C)c1cc(ccc1)-c2nn3c(ncc3I)s2	4944
+O=S(=O)(C)c1cc(C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CC=O)ccn1	1156
+O=S(=O)(C)c1c(-c2nocc2)c(c(cc1)C(=O)O)C	1
+c1cc(ccc1)CC2CC(c3c(ccc(c3Cl)C(=O)OC)S(=O)(=O)C)=NO2	1820
+O=S(=O)(C)c1cc(F)c(cc1)C(Nc2ccc(cc2F)Br)=S	3120
+O=S(=O)(c1c(cc(cc1)NN)F)C	427
+O=S(=O)(C)c1ccc(NC(=O)c2cc(Cl)ccc2)c(n1)N3CCC(CC3)CC(=O)O	3
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C(O)=O)[nH]3)c2)OC)cn1	1
+O=S(=O)(C)c1ccc(Oc2cc(c3[nH]c(cc3c2)C(=S)N)OC)cn1	742
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C=4SC(CC(=O)O)CN=4)[nH]3)c2)CC)cn1	3
+O=S(=O)(C)c1ccc(Oc2cc3cc([nH]c3c(OC)c2)C4=NCC(S4)CC(=O)O)cn1	3
+O=S(=O)(C)c1cc(Cl)c(cc1)CO	41
+c1cc(ccc1CC(Nc2ccc(cc2)-c3ccc4nc(nn4n3)Nc5c(OC)cc(cc5)S(=O)(=O)C)=O)F	490
+c1cc(ccc1NC(C(c2ccc(cc2)F)C)=O)-c3ccn4nc(Nc5c(OC)cc(cc5)S(=O)(=O)C)nc4c3	490
+O=S(=O)(c1ccc(c(c1)CN(CC)C(=O)OCc2ccccc2)O)C	66
+c1ccccc1C(c2ccccc2)CN3CCCN(Cc4ccc(cc4)S(=O)(=O)C)CC3	61
+c1cc(ccc1-n2cnc(C(OC)=O)c2)S(=O)(=O)C	431
+O=S(=O)(C)c1ccc(cc1)Oc2c3cc(oc3cc(C(OCC)=O)c2)CC	46
+c1cc(ccc1S(=O)(=O)C)N=Nc2ccc(cc2)N(C)CCCCCCO	725
+c1cc(ccc1S(=O)(=O)C)N=Cc2cc([N+](=O)[O-])ccc2	457
+O=S(=O)(c1ccc(cc1)NC(=N)c2ccccc2)C	3121
+c1cc(ccc1C)C(=Nc2ccc(cc2)S(=O)(=O)C)N	1748
+O=S(=O)(C)c1ccc(cc1)Nc2c3nccn3c(cn2)Br	1638
+O=S(=O)(C)c1ccc(cc1)Oc2c3c(oc(CC)c3)cc(C(=O)Nc4ncc(C)cc4)c2	650
+O=S(=O)(C)c1ccc(cc1)Oc2c3cc(CC)oc3cc(C(O)=O)c2	6
+O=S(=O)(C)c1ccc(cc1C#N)-c2sc(nc2C)NC(=O)NCCc3ncc(o3)CC	10083
+C1CCCC1ON=C(C(O)=O)c2ccc(S(=O)(=O)C)c(Cl)c2	4
+O=S(=O)(c1ccc(C(CC2CCC(CC2)=O)C(O)=O)cc1Cl)C	4
+O=S(=O)(C)c1ccc(cn1)Oc2cc(C)c3c(cc(C(=S)N)[nH]3)c2	742
+O=S(=O)(C)c1ccc(cn1)Oc2cc(C)c3[nH]c(cc3c2)C(=O)O	6
+O=S(=O)(C)c1ccc(cn1)Oc2cc(OCC)c3c(c2)cc(C(=S)N)[nH]3	742
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c([nH]c(C4=NCC(CC(=O)O)S4)c3)c(c2)C	3
+O=S(=O)(C)c1ccc(cn1)Oc2cc3cc([nH]c3c(c2)CC)C(N)=S	742
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c([nH]c(C(O)=O)c3)c(OCC)c2	1
+O=S(=O)(c1cnc(cc1)OCCC2CC2C3CCN(CC3)C(OCc4ccccc4)=O)C	640
+c1cc(ccc1C(C)CC)NC(c2ccc(cc2N)S(=O)(=O)C)=O	1768
+O=S(=O)(c1cc2c(CCC(CO)O2)cc1)C	44
+O=S(=O)(C)c1ccc2n(CC(O)=O)c(c(Oc3ccc(cc3)Cl)c2c1)C	4
+O=S(=O)(C)c1cccc(C2CCN(CC2)C(OC)=O)c1F	191
+O=S(=O)(c1c(c(ccc1)C2CCNCC2)F)C	1574
+O=S(=O)(C)c1cccc(NC(=O)Nc2ccc(cc2)Oc3ccnc4cc(O)c(cc34)C#N)c1	16
+O=S(=O)(C)c1cccc(NC(=O)Nc2ccc(cc2)Oc3ccnc4cc(c(cc34)C#N)OCc5ccccc5)c1	446
+c1cc(ccc1Oc2c(C)[nH]c3cc(ccc23)S(=O)(=O)C)F	3122
+O=S(=O)(C)c1cnc(cc1)-c2c(c(CC(O)=O)cc3ccc(cc23)F)C	4
+c1cc(ccc1N2C(=O)N(CC)c3cccnc23)Oc4n(c5c(n4)CCCC5)C	10084
+Cc1nc(nc(c1C(C)CC)Cl)-n2nccc2	10085
+Cc1sc(CNc2c(C)c(nc(n2)OCCCc3[nH]c4c(cccc4)n3)Cl)c(n1)C	3078
+c1cc(ccc1)Nc2ncc(c(n2)C(=O)OC)Cl	1359
+Nc1nc(cs1)-c2nc(SC)ncc2	10086
+c1ccccc1Oc2nccc(C(OC)=O)n2	2914
+c1cc(ccc1N2c3ncccc3N(C(C)C)C2=O)Oc4n(c5ncccc5n4)C	10087
+c1cc(ccc1-c2c(ncnc2OCCOc3ncc(cn3)OC)NS(=O)(=O)CCC)C	3078
+n1(C)ncc(-c2[nH]c3cc(Br)ncc3c2)c1	2550
+O=S(=O)(c1ccc(F)cc1Cl)C2CC(CO)C(C(=O)NC3(CC3)C#N)C2	1974
+c1cc(ccc1CN(C(=O)CC(C(=O)NS(=O)(=O)C2CC2)=O)OC)F	2623
+O=S(=O)(C1CC1)Nc2c(ccc(C(=O)Nc3cc(F)c(cc3)F)c2)F	67
+O=S(=O)(C1CC1)Nc2c3c(nc(C)c2)sc(c3-c4cccc(OC)c4)-c5c[nH]nc5	10088
+O=S(=O)(NC1=C2OCCN2C(C(C)=C1Nc3c(F)cc(I)cc3)=O)C4CCC4	4945
+C1CNCCC1S(=O)(=O)N	62
+c1ccccc1CNS(=O)(=O)C2CCN(CC2)c3ncc(cc3)N	10089
+O=S(=O)(CC(C)(C(=NO)N)NC(=O)OCc1ccccc1)C	609
+O=S(=O)(CC(C)(N)c1nc(on1)C)C	102
+O=S(=O)(CC)Nc1c(F)c(C(=O)c2c[nH]c3ncncc23)ccc1	80
+O=S(=O)(CC)Nc1ccc(c(c1)[N+](=O)[O-])F	80
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4CC5CCC(C4)N5S(=O)(=O)CC	112
+O=S(=O)(N1c2c(F)cc(Br)cc2CC1)CC	1632
+O=S(=O)(Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2[N+]([O-])=O)c1C)CC	80
+O=S(=O)(CC)N1CC=C(c2nc(c(N)nc2)-c3noc(n3)-c4ccccc4)CC1	990
+c1cc(ccc1C(CC)(CC)c2c[nH]c3c2cccc3NS(=O)(=O)CC)F	1374
+c1cc(ccc1NS(=O)(=O)CC)Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC	80
+O=S(=O)(N1CCN(CC1)c2ccc(cc2)[N+]([O-])=O)CC	112
+O=S(=O)(Nc1c(c(OC=2C(=C(N(C(C=2)=O)C)Nc3c(cc(I)cc3)F)C(=O)NCc4ccc(cc4)OC)ccc1)C)CC	80
+O=S(=O)(Nc1nc(OCCCCN2CCc3c(cccc3)C2)ccc1)CC	802
+O=S(=O)(CC)NC1CCCOc2c1cccc2	111
+O=S(=O)(CC)N1CC(CC1)Oc2cc(ccc2-c3ccncc3)F	112
+O=S(=O)(N1CC(Nc2nc(-c3cnc4ccc(cn34)C#N)ncc2)CCC1)CC	112
+O=S(=O)(NC1CCCc2c(cncc12)Br)CC	111
+O=S(=O)(N(c1cccc(c1)C=O)Cc2cccnc2)CC	39
+O=S(=O)(CC)N(Cc1cnccc1)c2cccc(c2)CO	98
+O=S(=O)(CC)NC1CCCCC1CO	44
+c1cc(ccc1C)S(=O)(=O)OCC2CCCCC2NS(=O)(=O)CC	36
+O=S(=O)(Nc1cc(N)c(cc1)F)CC	0
+c1cc(ccc1CNC(c2cnc3C(N(S(=O)(=O)c4ccc(cc4)C#N)Cc3c2)C(C)C)=O)S(=O)(=O)CC	92
+O=S(=O)(c1cc([N+]([O-])=O)c(C(=O)O)cc1F)CC	31
+O=S(=O)(c1ccc2C(C)(C)CNc2c1)CC	621
+O=S(=O)(CCC(OCC)=O)Cc1ccc(cc1)N	0
+O=S(=O)(Cc1cc(Nc2nc(c(cn2)F)-c3c(cc(c(F)c3)F)F)cc(c1)F)CCC	55
+O=S(=O)(CCC)Cc1cc(F)cc(N)c1	0
+c1cc(ccc1C)-c2c(NS(=O)(=O)CCC)ncnc2Cl	570
+O=S(=O)(N(c1c(F)c(N)c(F)cc1)C)CCC	10090
+O=S(=O)(CCC)NCCOc1ccc2CCNC(c2c1)C3(CCC3)c4nc(ccc4)Cl	1218
+O=S(=O)(CCC)Nc1c(c(c(cc1)F)N)F	4946
+O=S(=O)(CCC)Nc1c(F)c(c(F)cc1)C(c2c3c(ncc(Br)c3)n(C(c4c(cccc4Cl)Cl)=O)c2)=O	10091
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnccc2)F)CCC	660
+O=S(=O)(CCC)Nc1ccc(Cl)c(c1F)C(=O)O	6
+O=S(=O)(Nc1cc(c(cc1)F)C(=O)c2c[nH]c3ncc(cc23)Br)CCC	814
+n1cc(cnc1N2CCC(CC2)C3(Cc4cc(C5=CCN(S(=O)(=O)CCCC(=O)OC)CC5)ccc4O3)C)C6CC6	990
+O=S(=O)(NC)CCCCCO	21
+O=S(=O)(CCCCC)NC(=O)c1ccc(c(N(Cc2ccc(Cl)cc2Cl)C)c1)N	0
+c1cc(ccc1OC)N=Nc2c3c(ccc2O)cccc3NS(=O)(=O)CCCCCCCCCCCCCCCC	725
+c1cc(ccc1CCCCCCCS(=O)(=O)F)O	16
+O=S1(=O)N(c2cc(ccc2)-c3cc4c(CC(NS(=O)(=O)C(C)C)C4)cc3)CCC1	4947
+c12c(CC(C1)C3NC(=O)C(C(CC)CC)N(Cc4ccccc4N5S(=O)(=O)CCC5)C3=O)cccc2	4947
+c1cc(ccc1NS(=O)(=O)CCCCl)[N+](=O)[O-]	80
+O=S(=O)(C1CC1)c2ccc(c(c2)C(O)=O)O	4948
+O=S(=O)(N1CCC(CC1)c2n[nH]c3c(C(=O)N)cc(cc23)-c4cccc(CO)c4)CCCN5CCCC5	11
+CC(C)(CC=O)COS(=O)(=O)CCCNC(C)=O	465
+C1CC(CCN1S(=O)(=O)CCCO)Nc2nc(N)c(cn2)C(=O)c3c(ccc(F)c3F)OC	59
+O=S(=O)(C)CCCOc1ncc(c(c1)C)-c2ccc(F)c(C(O)=O)c2	89
+O=S(=O)(CCCOc1ccc(N)c(OC)c1)C	0
+O=S(=O)(c1ccccc1)CCCc2c(c(nn2CCCC)C#N)-c3c(cccc3)N	800
+O=S(=O)(CCCc1ccc(cc1)O)c2ccc(s2)S(=O)(=O)N	5
+O=S(=O)(CCCl)CCC(NCCS(C=C)=O)=O	10092
+O=S(=O)(NCCOc1ccnc(Oc2c(cc(Cl)c(c2)Cl)I)c1)C=C	4949
+O=S1(=O)N=C2C(c3cc4ccc(cc4cc3)OC)=CC=CN2CC1	1776
+O=S(=O)(NCCOc1ccc2ccccc2c1)C=C	4949
+c1cc(ccc1C=2C3=NS(=O)(=O)CCN3C=CC=2)Oc4cc(c(F)cc4)C	1776
+c1cc(ccc1C=2C3=NS(=O)(=O)CCN3C=CC=2)Oc4cc(c(cc4)C)C	1776
+c1cc(ccc1C=2C3=NS(=O)(=O)CCN3C=CC=2)Oc4c(C)cccc4	1776
+c1cc(ccc1C=2C3=NS(=O)(=O)CCN3C=CC=2)Oc4c(cc(F)cc4)C	1776
+O=S(=O)(CC)CCCn1c(cc2cc(Cl)ccc12)CO	194
+c1cc(ccc1-c2onc3-c4c(CCc23)cc(C(C(=O)NCCS(=O)(=O)C)O)cc4)CCC	9
+O=S(=O)(CCNC(c1ccc(cc1)C=NNc2c3cnn(-c4ccccn4)c3ncn2)=O)C	14
+O=S1(=O)c2c(C(c3ccccc3)NC(CC)(C1)CCCC)cc(c(CCCNCCS(=O)(=O)O)c2)OC	285
+c1ccccc1COC(=O)NCCS(=O)(=O)O	101
+c1c(OC)cc(cc1-c2c(-c3nc(Nc4cnc(OC5CN(CCS(=O)(=O)C)CC5)cc4)ncc3)sc(NCC)n2)OC	949
+c1ccccc1CCS(=O)(=O)Nc2ncnc(OCCOc3ncccn3)c2-c4ccc(cc4)C	482
+O=S(=O)(CCn1ccc2ncnc(c12)Nc3ccc(c(Cl)c3)Oc4cccc5sncc45)C	1190
+O=S(=O)(Cc1ccccc1C2=NNC(O2)=S)N	1770
+c1cc(ccc1S(=O)(=O)C(CCCCOC=C)c2cc(ccc2F)F)Cl	10093
+C1CN(CCN1c2cc(cc(CS(=O)(=O)c3ccc(cc3)F)c2N)Cl)C	0
+O=S(=O)(c1ccccc1)Cc2ccc(Br)c(OC)c2C(=O)O	1
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3cc(CS(=O)(=O)c4cccc5ccccc45)c(N)cc3	0
+O=S(=O)(Cc1cc(OC2CCN(C2)C(OCc3ccccc3)=O)ccc1[N+]([O-])=O)c4c5ccccc5ccc4	66
+O=S(=O)(NCCOCCO)Cc1c(cccc1)N	0
+O=S(=O)(c1c2ccccc2ccc1)Cc3cc(OC4CCN(C(OCc5ccccc5)=O)C4)ccc3N	0
+O=S(=O)(Cc1cccc(c1)N)C	0
+O=S(=O)(Cc1c(ccc(OC2CNCC2)c1)[N+]([O-])=O)c3c4ccccc4ccc3	25
+O=S(=O)(Cc1cc(OC2CCN(C2)C(OCc3ccccc3)=O)ccc1[N+]([O-])=O)c4c5ccccc5ccc4	1600
+c1ccccc1C(c2ccccc2)Nc3c(C#CCCNS(=O)(=O)Cc4ccc(c(c4)Cl)Cl)cc(cc3)Cl	121
+O=S(=O)(Cc1ccc2N(Cc3c(C(O)=O)[nH]c4C(=O)N(C=C(c34)c2c1)C)c5ccc(cc5)Cl)C	6
+O=S(=O)(c1ccc(NC(C)=O)cc1CS(=O)(=O)CC)Cl	240
+O=S(=O)(c1cccc2c1cccc2)Cc3cccc(c3N)OCCCCl	0
+O=S(=O)(N)Cc1cc(Nc2nc(-c3ccccc3OC)ncn2)ccc1	1582
+c1cc(ccc1-c2sc(cn2)CN(S(=O)(=O)Cc3ccccc3)CC(C)C)NS(=O)(=O)C	1241
+O=S(=O)(NS(=O)(=O)C1CCNCC1)Cc2ccccc2	2659
+c1(nc(nc(OC)c1)NC(=O)NS(=O)(=O)Cc2ccccc2-c3nnc(SC)o3)OC	1777
+O=S(=O)(C(C)C)NCC(C)c1ccc2cc(ccc2c1)OC	111
+CC(C)S(=O)(=O)NC1C(CCC1)c2ccccc2	111
+CC(C)S(=O)(=O)Nc1c(C(=O)OCC)cnn1-c2ccc(cc2)Br	802
+O=S(=O)(NCC(C)Oc1ccc(cc1)Br)C(C)C	111
+c1cc(ccc1Sc2ccc(C)cc2Nc3ccnc4c3ccc(CCC)n4)OS(=O)(=O)C(C)C	444
+c1cc(ccc1Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34)OS(=O)(=O)C(C)C	444
+c12c(cccc1)CC(C2)NS(=O)(=O)C(C)C	111
+C1CC(CCC1NC(OCc2ccccc2)=O)CNS(=O)(=O)C(C)C	111
+C1CC1(CC=C)S(=O)(=O)Nc2c(c(F)c(cc2)F)Nc3c(cc(I)cc3)F	80
+O=S(=O)(CC#N)NCCCc1ccccc1	111
+O=S1(=O)c2c(cc(C(=O)c3cnn(CC)c3OS(=O)(=O)CCC)c(C)c2C(C(C)(C)C1)=O)C	10094
+O=S(=O)(CCC)Nc1c(c(c(F)cc1)C(c2c[nH]c3ncc(cc23)Br)=O)F	80
+O=S(=O)(CCC)Nc1ccc(F)cc1F	80
+C1CN(CCN1c2nsc3c2cccc3)CCc4ccc(cc4)NS(=O)(=O)CCC	80
+c1ccccc1CC2C(NC(=O)OCC)COc3ccc(N4CC(C4)NS(=O)(=O)CCC)cc23	111
+n1cc(cnc1N2CCC(CC2)C3Cc4cc(C=5CCN(S(=O)(=O)CCC)CC=5)cc(F)c4O3)CCC	990
+O=S(=O)(CCCC)NC(C(=O)NCCc1ccc(c(OC)c1)OCc2cccc3ccccc23)C(C)CC	10095
+c1cc(ccc1-n2nc(cc2CC(C)C)CNS(=O)(=O)Cc3ccc4c(cccc4)c3)F	111
+Clc1cccc(Cl)c1Nc2c(csc2Cl)CC(O)=O	10096
+O=S(=O)(c1cc(C)c(CCOC)s1)Cl	4950
+c1c(c2c(O)c(Cl)cc(C=O)c2cc1)CC	662
+O=S(=O)(c1c(Cc2cc(OC)c(c(c2)OC)OC)sc3ccccc13)Cl	10097
+c1cc(ccc1Cl)-c2nn(C)c(OC(F)F)c2Cl	1188
+c1cc(ccc1F)C(C(C(=O)OC)Cl)=O	3334
+C1CC(CCO1)c2ccc(c(Cl)c2)O	662
+O=S(=O)(c1c(c(cc(c1)F)N2CCCCC2=O)OC)Cl	10098
+c1(nn2c(c1Cl)CCCC2)N	1188
+O=S(=O)(c1sc(c(C)c1)-c2ccc(OC)nc2)Cl	4950
+O=S(=O)(Nc1c(C#N)c(SC)ccc1)N	1630
+O=S(=O)(OCCCCCCCn1c2nc(nc(N)c2nc1Cc3cc4c(cc3I)OCO4)F)N	2419
+c1cc(ccc1)OS(=O)(=O)N	4259
+O=S(=O)(c1sccc1Br)n2cccc2	10099
+c1(ccc(OC)c(c1Cl)Cl)S	3066
+O=S(=O)(c1c(cc(cc1)F)C)Nc2cncc(c2)-c3ccc(c(Cl)c3)C#N	322
+O=S(=O)(c1cc(C)c(cc1[N+](=O)[O-])F)Nc2cccc3cccnc23	322
+O=S(=O)(Nc1cc([N+]([O-])=O)ccc1OC)c2ccc(Br)cc2Cl	69
+O=S(=O)(c1ccc(cc1Cl)Br)Nc2cncc(Br)c2	322
+O=S(=O)(Nc1ccccc1NS(=O)(=O)c2sc3ccccc3c2)c4ccc(cc4OC)[N+]([O-])=O	69
+O=S(=O)(NO)c1cc2c(CCN2C(=O)C)cc1Br	10100
+O=S(=O)(c1c(OC)ccc(Br)c1)Nc2cc(C(OC)=O)cnc2	322
+O=S(=O)(c1c(ccc(c1)Cl)OC)Oc2cc(C)cc(c2)O	681
+c1cc(ccc1)COc2cccc3n(S(=O)(=O)c4c(F)cccc4)ccc23	367
+O=S(=O)(NC(C(OC)=O)Cc1c[nH]c2c1cccc2)c3c(ccc(c3)Br)O	592
+O=S(=O)(c1cc(cnc1)Br)Nc2c(cc(F)cc2)F	4664
+c1cc(ccc1OS(=O)(=O)c2c(cc(c(Cl)c2)Cl)Cl)C=C(C#N)C#N	681
+O=S(=O)(N(c1sc(cn1)Cl)Cc2c(OC)cc(cc2)OC)c3c(F)cc(c(Cl)c3)F	4951
+O=S(=O)(Cl)c1c2c(c(Br)c(c1)CCOC(C)=O)cccc2[N+](=O)[O-]	31
+O=S(=O)(c1ccc(c(c1)C#N)Br)N(c2ncns2)Cc3ccc(cc3OC)OC	4951
+O=S(=O)(Cl)c1sc(C)c(c1)C(Nc2cc(F)c(cc2)F)=O	1899
+OS(c1ccc(O)c(c1)C(=O)O)=O	10101
+O=S(=O)(c1ccc(c(c1)Cl)Cl)n2c3ncccc3c(CC(OC)=O)c2C	276
+O=S(=O)(c1cc(c(cc1)F)Cl)N(c2ncc(cc2)F)Cc3ccc(cc3OC)OC	2023
+O=S(=O)(c1cc([N+](=O)[O-])c(cc1)NC(=O)OCC)NCc2ccccc2	71
+c1(S)cc(C)c(OCC(=O)OCC)cc1C	3066
+O=S(=O)(c1cc2c(NC(C2)=O)cc1)Nc3cnccc3	322
+O=S(=O)(c1ccc2c(CC(N2)=O)c1)N3c4c(CCC3)cccc4	416
+O=S(=O)(c1cc2c(cc1)cc(Br)cc2)c3ccc(cc3)OC	2290
+Fc1c(F)c(c(F)c(F)c1F)OS(=O)(=O)c2ccc3c(Br)cn(C)c3c2	681
+O=S(=O)(c1sc(C)cc1)Nc2nn(Cc3ccc(OC)c(c3)F)c4cccc(OC)c24	2878
+c1ccccc1NS(=O)(=O)c2cc(C#N)c(cc2)F	69
+O=S(=O)(Nc1ncc(cc1)F)c2ccc(F)c(C#N)c2	2165
+O=S(=O)(Nc1cc([N+](=O)[O-])ccc1)c2cc(F)c(cc2)Br	69
+c1cc(ccc1Cl)S(=O)(=O)NCC(O)CN2c3ccccc3CCc4c2cccc4	71
+O=S(=O)(NC(c1cnccc1)Cc2ccc(cc2)CC(OC)=O)c3ccc(cc3)Cl	71
+c1cc(ccc1C(CCCC(O)=O)c2cccnc2)CCNS(=O)(=O)c3ccc(cc3)Cl	71
+c1cc(ccc1S(=O)(=O)NCCc2cc(cc(CCC(OCC)=O)c2)Cc3ccc(cc3)F)Cl	71
+c1cc(ccc1)CC(OS(=O)(=O)c2ccc(cc2)Cl)C(=O)OC	10102
+c1cc(ccc1Cl)S(=O)(=O)N2CCCC(Nc3nccc(n3)-c4c(-c5cccc(C#N)c5)nc6sccn46)C2	92
+c1cc(ccc1S(=O)(=O)Nc2c(OC)ccc(c2)Br)I	69
+c1cc(ccc1C(Nc2cccnc2)=O)CNS(=O)(=O)c3ccc(cc3)I	71
+O=S(=O)(c1ccc(cc1)NC(=O)Nc2cc(C#N)ccc2)NCc3c(c(ccc3F)F)F	71
+O=S(=O)(c1ccc2c(c3cc(ccc3s2)S(=O)(=O)NC)c1)Nc4ccccc4S(=O)(=O)N	69
+O=S(=O)(n1c(-c2ccccc2)cc(C=O)c1)c3cc4c(ncs4)cc3	917
+O=S(=O)(Nc1ccc(c2c(c[nH]c12)C#N)C)c3cccc(c3)C#N	322
+O=S(=O)(Nc1c(cc(cc1)Cl)C(=O)c2ccncc2)c3cc(C#N)ccc3	69
+c1ccccc1COC2=COC(=CC2=O)CNS(=O)(=O)c3cc(C)ccc3	10103
+O=S(=O)(c1cccc(F)c1)n2c3c(c(C=O)c2)cnc(Br)c3	367
+O=S(=O)(Nc1ccc(cc1)C2C(C)(C)Cc3cc(ccc3N2)C(O)=O)c4cccc(F)c4	69
+O=S(=O)(NC(c1ccccc1-c2ccc(cc2F)F)C)c3cc(ccc3)OC	71
+O=S(=O)(c1c2c(cccc2)ccc1)n3ncc4ccc(cc34)[N+]([O-])=O	3123
+O=S(=O)(c1cccc2c1cccc2)n3ccc4c(cccc34)[N+](=O)[O-]	367
+O=S(=O)(Oc1cc(C)cc(O)c1)c2cccc3cnccc23	681
+O=S(=O)(Nc1cc(ccc1)-c2nn3c(cc2)nc(NC(C)=O)c3)c4cccc5c4ccnc5	69
+O=S(=O)(c1cccc2c1nsn2)Oc3cc(C)cc(O)c3	3854
+O=S(=O)(c1c(cccc1)Cl)N2c3cc(cnc3NCC2)I	4770
+O=S(=O)(c1c(Cl)cccc1)Nc2cccc(c2)OCCc3ccc(cc3)C#N	69
+O=S(=O)(c1ccccc1[N+]([O-])=O)Oc2cc(C)cc(O)c2	681
+O=S(=O)(Nc1c2ncccc2ccc1)c3c([N+](=O)[O-])cccc3	322
+O=S(=O)(c1ccccc1[N+]([O-])=O)N2CCc3ccccc23	416
+O=S(=O)(c1c(cccc1)[N+](=O)[O-])Nc2ccccc2CO	69
+c1cc(ccc1NS(=O)(=O)c2c(cccc2)[N+](=O)[O-])OC	69
+O=S(=O)(Nc1cccc2nccnc12)c3c([N+](=O)[O-])cccc3	322
+O=S(=O)(N(Cc1cc(Cl)cc(CN(S(=O)(=O)c2cnccc2)CC(C)C)c1)CC(C)C)c3c(c(Cl)cc(Cl)c3)O	1027
+c1ccccc1-c2n(S(=O)(=O)c3cnccc3)cc(C(=O)OC)c2F	1690
+O=S(=O)(n1c(-c2ccccc2)cc(c1)C=O)c3c(nccc3)Cl	1690
+O=S(=O)(Nc1c(cccc1)S(=O)(=O)Nc2ccc(cc2)OC)c3sccc3	1063
+O=S(=O)(Nc1ccc(F)c(c1)[N+](=O)[O-])c2cccs2	1063
+O=S(=O)(n1c2cccc(c2cc1)Br)c3sccc3	10104
+O=S(=O)(c1cccs1)Nc2cccc(-n3c4ccc(C(=O)NCc5cnccc5)cc4nc3)c2	1063
+O=S(=O)(Nc1c2ccccc2c(cc1)O)c3sccc3	1063
+c1ccccc1COC(=O)n2c3cc(c(Cl)cc3nc2-c4cc(c(OC)cc4)NS(=O)(=O)c5cccs5)Cl	1063
+c1ccccc1COCC2CN(CCN2)S(=O)(=O)c3sccc3	1147
+O=S(=O)(c1csc(c1C)C(=O)Nc2ccccc2C(O)=O)Nc3ccc(cc3)I	10105
+O=S(=O)(c1ncccc1)Nc2cc(OCCOC)cc3c2[nH]c(C(=O)OCC)c3	10106
+O=S(=O)(c1ncccc1)Nc2ccc(cc2)CO	10107
+c1cc(ccc1)CSc2cc(C#N)ccc2NS(=O)(=O)c3oc4c(c3)cccc4	2686
+O=S(=O)(c1sc(cc1)Cl)Nc2c3c(cccc3F)n(Cc4cc(C#N)ccc4)n2	2878
+O=S(=O)(F)c1cc(ccc1)N=Nc2cc(C=NO)c(O)c(c2)Cl	135
+C(#N)CCN(CCC#N)c1ccc(cc1)N=Nc2cc(S(=O)(=O)F)c(Cl)cc2	10108
+O=S(=O)(N(C)C)n1ccc(C(OC)=O)n1	4952
+CN(C)S(=O)(=O)n1cc(c(-c2ccccn2)n1)I	4952
+CN(C)S(=O)(=O)n1cnc2c1CCCC2	2752
+O=S(=O)(c1ccccc1O)N(C)C	5
+O=S(=O)(N(C)c1ccc(c2cc([nH]c12)C3=NCC(CCO)S3)C)c4cccs4	21
+O=S(=O)(N(C)c1ccc(c2c1[nH]c(C3=NCC(CC(=O)O)S3)c2)C)c4cccs4	3
+O=S(=O)(N(C)c1cccc2c1[nH]c(c2)C3=NCC(CC(=O)O)S3)c4cccs4	3
+O=S(=O)(c1ccccc1OC)N(c2cccc3c2[nH]c(c3)C(=S)N)C	742
+O=S(=O)(N(C)c1cc(cc(N(C)CCC)n1)C(=O)O)C	1
+O=S(=O)(c1ccc(cc1)Cl)N(C2C(CCCC2)C)Cc3ccc(cc3)C(O)=O	1
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)S(=O)(=O)N(C)C4C(CCC4)C(NO)=O	293
+O=S(=O)(c1cc(cc(CC)c1)Cl)N(c2cc3c4ccccc4n(CC)c3cc2)CC(=O)O	1818
+c1cc(ccc1S(=O)(=O)N(CC)CC)N	0
+c1ccc2c(c3c(cccc3)n2CCCN(CC)S(=O)(=O)c4ccccc4[N+](=O)[O-])c1	935
+O=S(=O)(c1ccccc1[N+](=O)[O-])N(CCC)CCCn2c3c(cccc3)c4c5CCC(=O)c5ccc24	935
+O=S(=O)(N(CC=O)c1c(cc2c(C(NC)=O)n(-c3ccc(C)cn3)nc2c1)C4CC4)C	24
+O=S(=O)(c1c(Cc2c(C)cc(C)cc2)sc3c1cccn3)Nc4onc(C)c4Cl	4953
+c1cc(ccc1)-c2c(cc(cc2)C(OCC)=O)CNCC	1385
+O=S(=O)(c1ccc(cc1)Cl)N(Cc2csc(c2Cl)C(O)=O)C	1
+O=S(=O)(N(Cc1cc(Cl)c(cc1)C(F)(F)P(O)(O)=O)Cc2ccccc2)c3c(C(=O)N)cccc3	228
+c1cc(ccc1CN(S(=O)(=O)c2ccc(cc2)O)CC(C)C)Cl	5
+O=S(=O)(c1c(O)c(Cl)cc(c1)Cl)N(Cc2ccc(cc2)CNCc3ccc(cc3)F)Cc4ccc(cc4)F	42
+c1cc(ccc1)OC(=O)Nc2c(ccc(c2F)N(C)S(=O)(=O)CCC)F	90
+c1(cc(cc([N+]([O-])=O)c1N)C)NCCO	2252
+O=S(=O)(N(C)c1cccc2cc(C(N)=S)[nH]c12)c3cccs3	742
+O=S(=O)(N(c1c2[nH]c(cc2ccc1)C=3SC(CN=3)CC(=O)Nc4[nH]nnn4)C)c5ccccc5OC	2004
+O=S(=O)(N(c1c2[nH]c(cc2ccc1)C=3SC(CC(=O)O)CN=3)C)c4ccccc4OC	3
+O=S(=O)(c1cccs1)N(c2c3[nH]c(C(NCC(C)(SCc4ccccc4)CCO)=O)cc3ccc2)C	81
+O=S(=O)(N(c1c2c(nccc2)c(O)c(n1)C(=O)NCc3ccc(F)cc3SC)C)c4ncn(C)c4	658
+O=S(=O)(N(c1nc(cc(c1)C(=O)O)Cl)C)C	1
+O=S(=O)(CCC)N(c1c(F)c(c(cc1)F)C(O)=O)C	1
+O=S(=O)(CC)N(Cc1cccnc1)c2cccc(c2)C=Cc3ccccc3	1521
+O=S(=O)(Nc1ccncn1)c2ccc(c(F)c2F)OC3CCCC3c4ccnn4C	10109
+O=S(=O)(c1c(sc2ncccc12)Cc3cc4c(OCO4)cc3C)Nc5c(c(C)no5)Cl	4953
+c1(OC)nc(nc(OC)n1)Oc2cccc(c2C(NS(=O)(=O)C)=O)Cl	10110
+O=S(=O)(NC(=O)c1cc([N+]([O-])=O)ccc1)C	2909
+O=S(=O)(C)NC(=O)c1nc(ccc1)Cc2c(n(S(=O)(=O)c3ccccc3)c4cc(OC)ccc24)-c5ccccc5	3007
+c1cc(ccc1-n2ncc(c2C)C(=O)NC(c3cc(NS(=O)(=O)C)cnc3)CCC)Cl	10111
+O=S(=O)(C)NC(c1ccc2c(c1)C(C)(C)CC(c3cc(ccc3)C(=O)Nc4ccccc4)N2)=O	258
+O=S(=O)(Nc1c(Oc2ccccc2OC)c(Cl)nc(-c3ncccn3)n1)CC	570
+CC(C)(CS(=O)(=O)N)CO	59
+O=S(=O)(Cc1cccc(Nc2ncnc(n2)-c3c(ccc(c3)C=O)OC)c1)N	10112
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCN(C(CC(C)C)=O)C3)C(N)=N1	4954
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCCN3C(NCC)=O)C(N)=N1	4954
+O=S(=O)(N)OCC1C(O)CC(n2ccc3c2ncnc3NC4c5ccccc5CC4)C1	59
+c1cc(ccc1C(=O)c2ccc(c(S(=O)(=O)N)c2)C)OC	222
+O=S(=O)(N)c1ccc(Cl)cc1CCN	524
+O=S(=O)(c1c(c(SCc2ccccc2)cc(C(=O)O)c1)Cl)N	1128
+O=S(=O)(c1c(cccc1I)O)N	5
+O=S(=O)(c1c(cccc1)S(=O)(=O)N)NC(c2ccc(cc2)I)=O	258
+O=S(=O)(c1ccc(cc1CC)C(N)=NO)N	253
+c1cc(ccc1N2C(C(OCC2)C(O)C3=Nc4c(S(=O)(=O)N3)cc(C#N)cc4)=O)C	10113
+O=S(=O)(N)c1cc(c(cc1)Oc2cc(c(SC)cc2)C)C(=O)NCC(C)O	14
+O=S(=O)(c1c(ccc(c1)C)NS(=O)(=O)CCc2ccc(cc2)Br)N	80
+O=S(=O)(NC(Nc1nc(CC)c(Br)s1)=O)c2cc(sc2)C	10114
+O=S(=O)(c1ccc(Oc2c(cc(F)cc2)F)c([N+](=O)[O-])c1)N	46
+O=S(=O)(NC(Nc1cc(cc(NCCF)n1)SC)=O)c2sc(c(c2)C)CCOC	4746
+O=S(=O)(N)c1cc(C(=O)O)c(Oc2ccc(c(C)c2)SC)cc1	1
+c1cc(ccc1CN(C(CC(=O)C(NS(=O)(=O)c2cc(c(OC)cc2)C(NCC3CCCN3CC)=O)=O)=O)OC)F	2623
+O=S(=O)(c1cc(c(OCc2ccc(cc2)OC)cc1)C(O)=O)N	1
+O=S(=O)(N)c1cc(CNCC(C)O)c(Oc2cc(c(SC)cc2)C)cc1	162
+O=S(=O)(N)c1c(c(C)cc(c1)N)OC	0
+c1cnccc1C=Cc2cc(ccc2)Nc3cc(ccc3)S(=O)(=O)N	230
+c1cc(ccc1)S(=O)(=O)n2cc(cc2)C(c3ccc(c(S(=O)(=O)N)c3)Cl)=O	787
+O=S(=O)(N)c1c(ccc(c1)C#N)NC(C(O)C2OCCN(c3ccc(cc3)C)C2=O)=O	33
+c1(nc(nc(OC)c1)NC(NS(=O)(=O)c2c(OC)ccc(CC#N)c2)=O)OC	1777
+O=S(=O)(N)c1ccc2N(CCc2c1)CC3CCCCC3	15
+O=S(=O)(N)c1cc2c(cc1O)OCCC2CNC(N3CC(=C(CC)C3=O)C)=O	5
+O=S(=O)(N)c1c(cc(cc1)C#N)CC	180
+O=S(=O)(N)c1cc(c(cc1)OCc2ccc(cc2)OC)C(OC)=O	657
+O=S(=O)(N)c1cc(c(Oc2cc(c(SC)cc2)C)cc1)C(OC)=O	46
+O=S(=O)(N)c1cc2c(N(Cc3ccc(Cl)c(Cl)c3)CC2)cc1	162
+O=S(=O)(N)c1ccc2N(C(c3ccc(Cl)c(Cl)c3)=O)CCc2c1	448
+O=S(=O)(c1c2c(ccc1)c3nc(O)c(O)nc3cc2)N	10115
+O=S(=O)(c1c(cccc1)S(C)=O)N	2571
+c1cc(ccc1CCNC(NS(=O)(=O)c2ncc(cc2)C)=O)-n3cc(nc3CC)-c4ccccc4	1777
+O=S(=O)(Nc1nc(SCc2c(c(F)ccc2)F)nc(OC)c1)c3c(C)nc(s3)N	570
+O=S(=O)(N1C(CC)CN(C(Cc2ccc3ccccc3c2)C(=O)OC)CC1)c4ccccc4[N+](=O)[O-]	15
+O=S(=O)(c1ccc(cc1)C)N2C(CC(=O)NCCc3ccc(cc3)CO)C(NC=C2)=O	9
+O=S(=O)(N1C(C(OCC)=O)CN(CC1)Cc2ccc(cc2)Br)c3ccc(cc3)OCC#CC	131
+C(Cc1cc2c(cccc2)cc1)(C(OC)=O)N3CC(CC)NCC3	1385
+c1cc(ccc1)S(=O)(=O)N2C(CN(CC2)C(OCc3ccccc3)=O)CCC=O	24
+c1cc(ccc1C(=O)OC)C(C)n2cc(CC3N(C=CNC3=O)S(=O)(=O)c4ccc(Cl)c(Cl)c4)nn2	642
+c1cc(ccc1)-c2cc(ccc2)C(C(=O)NC3C(CN(S(=O)(=O)c4ccccn4)C(CC3)C)O)CC(C)C	9
+c1cc(ccc1N)S(=O)(=O)N2CCC(CC2)NC(=O)C=C	0
+C1CN(CCC1c2ccc(cc2)CC(N)C(=O)OC)S(=O)(=O)C	191
+O=S(=O)(Nc1cc(OC)nc(n1)SCc2c(c(F)ccc2)F)N3CCC4(OCCO4)CC3	570
+O=S(=O)(N1CCCc2ccccc12)c3cc(N4C(=O)Nc5c(c(ccc5)C(=O)O)C4=O)c(Cl)cc3	1
+C1CN(CCN1S(=O)(=O)c2ccc(c(N)c2)OC)C	0
+O=S(=O)(N1CCN(CC1)c2ccc(cc2)N)CC	0
+CC1(C)N(N)CCN(C1)S(=O)(=O)C	1651
+O=S(=O)(c1cc(Cl)ccc1OC)N2c3cc(ccc3OCC2)C(O)=O	1
+c1(C)sc(nc1-c2ccc3NCCc3c2)NC(=O)Cc4ccc5OCOc5c4	4955
+O=S(=O)(c1cc(ccc1)C)N2CCCc3ncc(cc23)NC(C(C)c4ccccc4)=O	469
+c1cc(ccc1C(Nc2ccc3CCCN(c3c2)S(=O)(=O)c4c(OC)ccc(c4)Cl)=O)CC(=O)OC	67
+c1(c([nH]c2c1ccc(c2)F)-c3cnccc3)C#N	4563
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(Cl)c(-n4cccc4C#N)ccc3Cl	2843
+O=S1(=O)NC(Nc2c1cc(cc2)NS(=O)(=O)C)=O	10116
+c1cc(ccc1OC)CSc2scc(C=3CC(N(C(=O)OCC=C)CC=3)COC(N)=O)n2	10117
+c1ccccc1COC(=O)c2cn(C(N)=O)c3ccccc23	10118
+c1c(cc(cc1-n2cccc2C#N)C(=O)OC)COC(C)=O	2843
+c1(nc(nc(OC)n1)NC(NS(=O)(=O)c2cscc2C)=O)OC	1722
+O=S(=O)(NC(=O)c1cccc(N)c1)C	0
+c1(C)cc(cc(C)c1Cn2c3c(cc2C(NS(=O)(=O)c4cc(N)ccc4)=O)ccc(C#N)c3)C	0
+O=S(=O)(c1nc(ccc1)-c2ccc3c(c2)C(=NNc4nc5c(s4)cccc5)CCC3)NC(C)=O	1713
+O(C)c1nc(nc(OC)c1[N+]([O-])=O)NCCS(=O)(=O)NC(C)C	96
+O=S(=O)(NC(C1(CC1)c2ccc(cc2)-c3ccc(cc3)-c4onc(C)c4Nc5cccc(n5)-c6ccccc6)=O)C	3215
+C(C)C(CNc1ccc(C)cc1C)N	10119
+CC(C)Oc1ccc(cc1S(=O)(=O)NC(Cc2c[nH]c3c2cccc3)CO)Br	88
+O=S(=O)(c1ccc(cc1)OC)N2C(c3c(cccc3)-c4ccc(cc24)Cl)C	4956
+O=S(=O)(NC(=O)c1ccc(-c2ccccc2)nc1N3CC(C)CC3(C)C)c4c(nccc4)O	140
+O=S(=O)(c1cccc(OC)c1)N2c3cc(F)ccc3-c4c(cccc4)C2C	4956
+c1cc(ccc1CC(=O)O)CC(NS(=O)(=O)c2ccc(cc2)Cl)c3cnccc3	4
+c1cc(ccc1C)S(=O)(=O)OCCCCCS(=O)(=O)NC	36
+O=S(=O)(NC)CCCCN=[N+]=[N-]	558
+O=S(=O)(NC)CCCCN	18
+O=S(=O)(NC)Cc1ccc(cc1)Nc2nc3ccc(cc3c(Nc4ccccc4)n2)OC	744
+O=S(=O)(NC)Cc1ccc(cc1)Oc2cc(nc(C)n2)CNc3ncc(cn3)Cl	96
+O=S1(=O)N(C(c2ccc3c(c2N1)nccc3)c4ccc(cc4C)F)C	10120
+c1cc(ccc1[N+]([O-])=O)Oc2cccc(S(=O)(=O)NC)c2	2026
+O=S(=O)(Cl)c1ccc2c(c3cc(ccc3s2)S(=O)(=O)NC)c1	243
+O=S(=O)(NC)c1cc(Oc2ccccc2)ccc1	304
+CC(C)S(=O)(=O)NC1C(O)(c2ccc(cc2)F)CCC1	1035
+CC(C)S(=O)(=O)NC1C(CCC1)(c2ccc(cc2)Oc3ccccc3)O	1035
+O=S(=O)(Nc1cc2c(cc1)nc(cc2)NCc3c(OC)cccc3)NC4CC4	1630
+C1CN(CCC1NS(=O)(=O)c2ccc(cc2)N)C(=O)OCc3ccccc3	0
+O=S(=O)(NC1Cc2c(cc(cc2)-c3cc(ccc3)N)C1)C(C)C	0
+O=S(=O)(C(C)C)NC1Cc2c(cc(-c3c(nccc3)F)cc2)C1	1617
+O=S(=O)(NC1Cc2ccc(-c3cc(C#N)ccc3)cc2C1)C(C)C	134
+O=S(=O)(NC1Cc2c(C1)cc(cc2)-c3cc([N+]([O-])=O)ccc3)C(C)C	134
+O=S(=O)(NC1Cc2ccc(-c3cccc(CN)c3)cc2C1)C(C)C	107
+O=S(=O)(c1ccccc1Cl)NCC2=CC(=O)C(O)=C(C(O)=O)N2C	4957
+c1ccccc1COC2=C(C=O)OC(=CC2=O)CNS(=O)(=O)c3cc(C)ccc3	3124
+c1cc(ccc1)S(=O)(=O)C(C2=CC(C(OCc3ccccc3)=C(C(=O)O)N2C)=O)NS(=O)(=O)c4cc(C)ccc4	10121
+O=S(=O)(c1cccc(OC)c1)NCCCO	21
+O=S(=O)(NCCCC(N)=S)C	199
+O=S(=O)(NCCCCCC(Nc1ccccc1)=O)C	33
+O=S(=O)(c1cccc(N)c1)NCCN(C)C	0
+O=S(=O)(NCCOC)Nc1c(Oc2c(ccc(OC)c2)Cl)c(Cl)ncn1	570
+O=S(=O)(Nc1c(c(OCCO)ncn1)Oc2c(ccc(OC)c2)Cl)NCCOC	145
+O=S(=O)(c1cc(C(=NO)N)ccc1O)NCCc2c(OCC(=O)O)cc(cc2)-c3ccccc3S(=O)(=O)C	253
+O=S(=O)(c1cc(ccc1OC)C#N)NCCc2c(O)cc(-c3c(cccc3)S(=O)(=O)C)cc2	241
+O=S(=O)(NCCc1c(OCC(=O)O)cc(cc1)-c2ccccc2S(=O)(=O)C)c3cc(C#N)ccc3O	3
+O=S(=O)(NCCc1c(cc(cc1)-c2ccccc2S(=O)(=O)C)OCC(=O)OCC)c3cc(C#N)ccc3O	5
+CC(C)c1ccc(c(c1)OCC(=O)OCC)CCNS(=O)(=O)c2c(O)ccc(C#N)c2	5
+O=S(=O)(NCCc1ccc(C(C)C)cc1OCC(=O)O)c2c(OC)ccc(C#N)c2	3
+c1cc(ccc1OC)CN(Cc2c3ccccc3ccc2)S(=O)(=O)c4cc(c(s4)Cl)Cl	692
+O=S(=O)(NCc1cnccc1)c2cc(C=CC(O)=O)ccc2	127
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)NO	2291
+c1cc(ccc1)CN(Cc2sc(cc2)-c3cccc(S(=O)(=O)C)c3)S(=O)(=O)c4cc(ccc4)Cl	692
+O=S(=O)(c1c(c(Cl)ccc1)Cl)Nc2c(nc(Br)cn2)OCc3cnccc3	1335
+c1cc(ccc1C)S(=O)(=O)Nc2ccc(cc2C)Oc3cc(C(=O)O)c(cc3)NS(=O)(=O)c4ccc(cc4)C	1
+O=S(=O)(Nc1ccc(Cl)cc1C(O)=O)c2cccc3nsnc23	1
+O=S(=O)(c1cc(OC)c(cc1)OC)Nc2c(C(c3c(Cl)cccc3)O)cc(Cl)cc2	488
+O=S(=O)(C)Nc1c(Oc2c(cccc2)Cl)cccc1CC(=O)O	3
+O=S(=O)(CCC)Nc1c(Cl)c(c(cc1)Cl)N	4946
+O=S(=O)(c1ccccc1)Nc2cc(-c3c(CC(OC)=O)c4c(cccc4)[nH]3)ccc2Cl	2155
+c1cc(ccc1-c2c(NS(=O)(=O)c3ccccc3Cl)nccn2)CO	696
+O=S(=O)(Nc1ccc(c(c1F)C(c2c[nH]c3ncc(cc23)-c4ccc(C(NCC)=O)nc4)O)F)CCC	1235
+O=S(=O)(c1c(F)ccc(c1)F)Nc2cccc(c2F)CO	98
+n1cccnc1-c2nc(c(c(NS(=O)(=O)CC)n2)Oc3ccccc3OC)OCCO	145
+O=S(=O)(Nc1cccc(OC=2C(=C(Nc3c(cc(I)cc3)F)N(C(=O)C=2)C)C(N)=O)c1C)CC	10122
+n1cc(cnc1OCCOc2ncnc(NS(=O)(=O)NCCOC)c2Oc3cc(OC)ccc3Cl)Br	482
+C(C)N(CC)CC=Cc1cc(ccc1S(=O)(=O)Nc2ccc3c(c2C(O)=O)cc4CCCn34)F	1
+CC(C)NCCOc1c(NS(=O)(=O)C)cc(cc1)N	0
+O=S(=O)(C1CC1)Nc2c(ccc(c2)C(=O)O)F	1
+O=S(=O)(Nc1c2c(ccc1)cccc2)c3cccc(C=CC(NO)=O)c3	2291
+c1cc(ccc1F)S(=O)(=O)Nc2c3c(nc(NC4c5c(CC4)cccc5)cc3)ccc2	554
+O=S1(=O)Nc2c(-c3c1cc(cc3)C)ccc4c2nccc4	1763
+O=S(=O)(Nc1c2ncccc2ccc1)c3c(cccc3)N	0
+O=S1(=O)c2ccccc2-c3c(c4c(cc3)cccn4)N1	1763
+O=S(=O)(c1ccccc1)Nc2c(ncc(-c3ccc4c(c3)N(Cc5ccccc5)C(CO4)=O)c2)Cl	1806
+O=S(=O)(c1cc(OC)c(OC)cc1)Nc2cc(ccc2Cl)C(C)O	4247
+O=S(=O)(CCC)Nc1cc(c(cc1)F)C=O	39
+c1(F)cc(cc(F)c1)NS(=O)(=O)c2cnc(c(C#N)c2)Cl	1014
+O=S(=O)(Nc1cc(F)ccc1SCc2ccccc2C(=O)O)c3cc4c(s3)cccc4	1
+O=S(=O)(C)Nc1cc(Nc2oc(cn2)-c3ccc(C#N)c(F)c3)ccc1	4149
+O=S(=O)(Nc1cccc(c1)Oc2c(C#N)c(cc(F)c2)F)N(C)C	46
+O=S(=O)(Nc1cc(OC)nc(n1)SCc2c(c(F)ccc2)F)N3CCC(CC3)=O	97
+O=S(=O)(Nc1cccc(Oc2cc(F)cc(Nc3c(F)cc(cc3)I)c2C(N)=O)c1)N(C)C	216
+O=S(=O)(c1ccc(Br)cc1Cl)Nc2cc(N)ccc2OC	0
+O=S(=O)(Nc1cc(C=O)ccc1Cl)c2cc(OC)c(OC)cc2	39
+c1cc(ccc1)-c2c(c3c(NS(=O)(=O)c4cc(ccc4)Cl)cc(nc3s2)C)-c5cc(OC)ccc5	268
+O=S(=O)(Nc1cc2c(CC(=O)O)c[nH]c2cc1)C	4
+O=S(=O)(c1cc(c(Cl)s1)-c2cccc(OC)c2F)Nc3ccc(C(O)=O)c(c3)O	1074
+O=S(=O)(c1cccc2nsnc12)Nc3c(C(=O)NCC(c4cc(Cl)c(cc4)Cl)C)cc(Cl)cc3	14
+O=S(=O)(Nc1ccc(-c2c(ccc(CC(=O)O)c2)OC)c(CN(C(=O)OCc3ccccc3)CC)c1)C	3
+O=S(=O)(c1cc(c(Cl)s1)-c2c(O)ccc(F)c2)Nc3cc(c(cc3)C(O)=O)O	1
+O=S(=O)(Nc1ccc(c(O)c1)C(=O)OC)c2cc(c(Cl)s2)-c3c(O)ccc(F)c3	1074
+O=S(=O)(Nc1cc(CO)c(cc1)F)CCC	98
+O=S(=O)(Nc1c(c(C(c2c[nH]c3c2cc(cn3)-c4ccc(C(NCC)=O)nc4)=O)c(cc1)F)F)CCC	814
+O=S(=O)(c1c(cc(cc1)O)CC(NCC)=O)Nc2ccc3COB(c3c2)O	5
+O=S(=O)(Nc1ccc2COB(c2c1)O)c3ccc(cc3CC(=O)O)OC	3
+O=S(=O)(Nc1ccc2c(c1C(O)=O)CCCC2)c3ccccc3N	0
+O=S(=O)(Nc1cccc(C(O)=O)c1)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3	6
+O=S(=O)(Nc1cccc(c1C)Oc2c(c(Nc3c(cc(cc3)I)F)cc(F)c2)N)CC	0
+O=S(=O)(Nc1cc(Oc2c(C#N)c(cc(F)c2)Nc3c(F)cc(cc3)I)ccc1)N(C)C	275
+O=S(=O)(c1ncccc1)Nc2cccc3cc(n(COC)c23)C(=O)NCC(SCc4ccccc4)C(OC)OC	81
+O=S(=O)(c1c(cccc1)N)Nc2cccc3nccnc23	0
+O=S(=O)(Nc1ccccc1Oc2ccc(Cl)cc2Cl)c3ccc(cc3)C(=O)NCC(O)=O	3
+O=S(=O)(Nc1cncc(Cl)c1O)c2cc(c(nc2)OC)C#N	10123
+O=S(=O)(C)Nc1c2cc(ccc2n[nH]1)N	0
+c1cc(ccc1)-c2cc(S(=O)(=O)Nc3ncc(Cl)cc3OC)cnc2	89
+c1cc(ccc1)C2CCN(C2)c3c4ccc(S(=O)(=O)Nc5nccs5)cc4ccn3	43
+O=S(=O)(C)OC1C(CCCC1)Nc2nc3c(s2)cc(Cn4cnc5c4nccc5)cc3	3728
+O=S(=O)(C(CCN=[N+]=[N-])C(=O)O)O	4
+O=S(=O)(c1cc(c(cc1)OC)CCC(=O)OCCS(=O)(=O)c2ccc(cc2)C)Cl	243
+O=S(=O)(c1ccc(F)c([N+]([O-])=O)c1)Cl	240
+O=S(=O)(Cl)c1cc([nH]c1)C(=O)c2c(nccc2)Cl	4958
+O=S(=O)(Cl)c1c(c(cc(c1)[N+]([O-])=O)C)F	240
+c1(Cl)c(F)c(c(c(Cl)c1F)F)S(=O)(=O)Cl	240
+O=S(=O)(Cl)c1cc(C(N)=O)c(NC(C)=O)s1	2508
+O=S(=O)(c1cc(Oc2c(cc(cc2Cl)CC3C(=O)NC(=O)S3)Cl)ccc1OC)Cl	243
+O=S(=O)(Cl)c1ccc(Br)cc1C	243
+O=S(=O)(c1ccc(cc1CCC)Br)Cl	243
+O=S(=O)(O)c1ccc(OC)cc1OC	10124
+O=S(=O)(Cl)c1cc(c(F)cc1)C(O)=O	240
+O=S(=O)(Cl)c1csc(c1C)C(O)=O	10125
+O=S(=O)(c1cc(c(C)s1)C(=O)O)Cl	2206
+O=S(=O)(c1ccc(Cl)c2c1CCN(C(C)=O)C2)Cl	243
+O=S(=O)(Cl)c1c(cc2CCN(C(=O)C)c2c1)Br	243
+O=S(=O)(c1cc(cc(Br)c1F)C(=O)O)Cl	240
+c1(cc(cc(C)c1S(=O)(=O)Cl)OC)C	243
+O=S(=O)(Cl)c1c2ccncc2cc(Br)c1	240
+O=S(=O)(c1ccc2CC(NC(=O)C)Cc2c1)Cl	243
+O=S(=O)(Cl)c1ccc2c(c1)CCN(C(C)=O)CC2	240
+c1cc(ccc1-c2cnc(C)o2)S(=O)(=O)Cl	240
+c1cc(ccc1-n2ccnc2)S(=O)(=O)Cl	240
+c1cc(ccc1CCCCCCCCCCCCCCCCCC)S(=O)(=O)Cl	243
+O=S(=O)(c1ccc(cc1)N2C(=O)C(N3CCc4c3ccc(F)c4Cl)CC2)Cl	240
+c1cc(ccc1S(=O)(=O)Cl)NC(OCC)=O	243
+c1cc(ccc1S(=O)(=O)Cl)NC(=O)c2ccccn2	240
+O=S(=O)(c1c(CCC)ccc(c1)S(=O)(=O)c2ccccc2)Cl	240
+O=S(=O)(c1cc(-c2sc(nc2C)NC(=O)NCC)ccc1OC)Cl	243
+O=S(=O)(Cl)c1cc(Br)ccc1O	243
+O=S(=O)(c1cc([N+]([O-])=O)ccc1Br)Cl	243
+O=S(=O)(c1sc(CNC(=O)c2ccc(cc2)Cl)cc1)Cl	2508
+O=S(=O)(c1c(C)ccc(C(O)=O)c1)Cl	243
+O=S(=O)(Cl)c1c(ccc(CC(OC)=O)c1)C	240
+O=S(=O)(c1c2c(n(c1)S(=O)(=O)c3ccc(cc3)C)ccc(c2)F)Cl	10126
+O=S(=O)(Cl)c1c(SC)ccc(C2CC(O)=C(C(=O)CC)C(=O)C2)c1	243
+O=S(=O)(Cl)c1cc(ccc1Cl)CC	243
+O=S(=O)(c1ccc(cc1)Cc2ccc(cc2)[N+]([O-])=O)Cl	240
+O=S(=O)(Cl)c1c(ccc(c1)C(O)=O)Cl	243
+O=S(=O)(c1c(OC)ccc(F)c1)Cl	243
+O=S(=O)(c1c(F)ccc(c1)[N+](=O)[O-])Cl	243
+c1cc(ccc1N2CCCC2)-c3ccc(cc3)S(=O)(=O)Cl	243
+O=S(=O)(c1cc(C(OC)=O)n(C)c1)Cl	4958
+O=S(=O)(c1c(N)ncc(Br)c1)Cl	10127
+O=S(=O)(c1cc2c(O)ncc(c2cc1)Cl)Cl	240
+O=S(=O)(c1cc(C)c(cc1)OCC(=O)OCC)Cl	240
+O=S(=O)(Cl)c1cc(c(cc1)O)-c2nc(O)c3n(C)nc(c3n2)CCC	240
+c1cc(ccc1C(CF)C)S(=O)(=O)Cl	243
+c1cc(ccc1S(=O)(=O)Cl)C2(CCOCC2)C	243
+c1cc(ccc1S(=O)(=O)Cl)CC(O)=O	243
+c1cc(ccc1CCCF)S(=O)(=O)Cl	243
+c1cc(ccc1CNC(=O)c2ccc3n(ccn3)c2)S(=O)(=O)Cl	240
+c1(F)cc(cc(F)c1Oc2ccc(cc2)S(=O)(=O)Cl)C=C(C)C(OCC)=O	243
+O=S(=O)(Cl)c1c(Br)ccs1	2206
+C(O)(c1c2c(ccc1OC)cc(-c3cc(ccc3)OC)cc2)=O	1775
+C(c1c(Cl)nc2c(CCCC2)c1Cl)(O)=O	3070
+c1c(Br)c(cc(C)c1F)C(=O)O	1775
+c1(ccc(OC)c2c1cc(C)o2)C(=O)O	1775
+c1ccccc1COC(=O)c2ccc(c(F)c2)C(=O)O	1775
+c1cc(ccc1F)CNC(=O)c2c(O)c(c(nc2)C(O)=O)OCc3ccccc3	10128
+c1cc(ccc1)CN2CC(CCCC2)NC(=O)N3CCC4N(S(=O)(=O)O)C(C34)=O	10129
+OC(C(=O)N)CC(C([N+](=O)[O-])C)CC	1004
+S(c1cc(Oc2c(nccc2)CC)c(nc1)C(N)=O)c3ccccn3	862
+O=C(N)c1cnn2cc(cc2c1Cl)Br	1869
+c1(ccc2c(c(ccc2)Cc3c(cc(C(=O)OC)cc3)OC)c1)C(=O)O	10130
+O=C(N)c1c(C)cc(cc1Br)F	2265
+c1(c(c(Cl)ncc1)C(=O)N)C	4831
+c1(c(ccc(c1I)C)C(=O)O)F	3125
+c1(ccc(Cl)nc1C(=O)N)[N+]([O-])=O	862
+c1(ccc(C(=O)N)c(F)c1C)Br	2681
+c1(cccc(I)c1F)C(=O)O	3125
+O=S(=O)(O)c1cc2c(cc1)N(C)CCC2	3126
+c1(cc(OC)c([N+]([O-])=O)c(c1)F)C(=O)O	3125
+O=S(=O)(O)c1c2c(ccc1OC)c(Cl)ncc2	3126
+c1ccccc1-n2cc(C(=O)N)c(N)n2	4959
+c1ccccc1C(c2ccccc2)(CCC(C)(C)N(C)Cc3ccccc3)C(N)=O	1004
+C1CC(CCN1Cc2ccccc2)(Nc3cc(C)ccc3)C(=O)N	1004
+c1cc(ccc1-c2nsc(NC(NCCCN3CCCC3)=O)c2C(=O)N)[N+](=O)[O-]	1856
+c1cc(ccc1-c2nc3ccc(cn3c2)I)C=O	3243
+c1cc(ccc1C2(c3ccc(cc3)F)CCC(CC2)N4CCC(CC4)(C(N)=O)Nc5ccccc5)F	1004
+c1cc(ccc1F)C(C(=O)N)N	2006
+c1cc(ccc1-c2oc(c(C(OCC)=O)c2)C)O	10131
+c1cc(ccc1N2C(C(=CC=C2CC)C(O)=O)=O)F	10132
+C1CN(CCC1(Nc2ccc(cc2)F)C(N)=O)C(=O)OCC	2006
+c1cc(ccc1OC)-n2ncc(C(N)=O)c2N	4959
+O=S(=O)(c1ccc(c(c1)N)N)O	3126
+c1ccccc1C(c2ccccc2)(CCCN(C)Cc3ccccc3)C(=O)N	1004
+c1ccccc1C(c2ncccc2)C(=O)N	2006
+c1ccccc1CN(CCC(c2ccccc2Cl)(CCN3CCCCC3)C(N)=O)C(C)C	1004
+n1c(c(c(s1)N)C(=O)N)-c2cc([N+]([O-])=O)ccc2	1856
+n1c(c(ccc1F)[N+]([O-])=O)C(=O)N	862
+c1cc(ccc1Oc2cc(cnc2C(N)=O)Sc3ncccn3)F	862
+O=S(=O)(c1c(cc(c(c1)[N+](=O)[O-])OC)OC)O	31
+c1cc(ccc1)C(=O)Nc2ccc(S(=O)(=O)O)c3ccccc23	50
+O=S(=O)(c1ccc(cc1)Oc2ncc(Br)s2)O	4960
+c1cc(ccc1S(=O)(=O)O)OCC#Cc2ccc(cc2)Cl	476
+[N-]=[N+]=NC(C)CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C	298
+Oc1c(C(C(OC)=O)=NOC)cccc1	4910
+c1(c(OC)c(Br)cc(Br)n1)C(=O)OC	10133
+c1(ccccc1CC(c2sccc2C)N(C=O)C)OC	297
+N#Cc1ccc(SC)c(C#N)c1C	10134
+COc1c(Br)cc(cc1C)Br	297
+O(C)c1c(I)c(C)c(Cl)cc1C(=O)C	297
+c1(ccc(nc1N)OC)Br	10135
+c1cc(C(=O)OC)c2cc(C)oc2c1OC	3127
+N1=NN(c2cccc(OCC)c2C)C(=O)N1C	3091
+c1(ccccc1Cl)Oc2ccc(OC)c(C=O)c2	297
+c12c(Nc3cccc(SC)c3S1)cc(OC)cc2	297
+O=C1C=Cc2cc(-c3cnccc3)ccc2N1C	10136
+COc1cc2c(cc1)n(cc2CC(OC)=O)C	10137
+c1c(C)c(c(cc1)C)OC	297
+c1c(cc([N+]([O-])=O)c(C(=O)OC)c1)Br	3127
+c1c(OC)cc2OCCOc2c1	297
+c1cc(N)cc2c1ccc(OC)c2	297
+c1cc(ccc1)C(c2c(cn(C)c2C)NC(CCl)=O)=O	10138
+c1cc(ccc1)CNC(=O)C(COC)NC(=O)OCC	1541
+c1ccccc1Oc2cccc(c2OC)C	297
+c1cc(ccc1OCCCCCCCCN=[N+]=[N-])N=Nc2ccc(O)c(c2)C(OC)=O	3127
+COc1ccc(c(c1)O)-c2nnc(cc2)Cl	297
+O(C)c1ccc(F)c2c1cccc2	297
+c1ccccc1COc2c(C)c(OC)c(cc2)C=O	297
+c1cc(ccn1)-c2nn(C)cc2	4961
+c1n(C)ncc1[N+]([O-])=O	4961
+C12C(C3(CCC(CC3CC1O)OCCO)C)CC(O)C4(C)C2CCC4C(C)CCC(OC)=O	10139
+c1cc(ccc1COC(=O)N2CCC(N=[N+]=[N-])C2)[N+]([O-])=O	298
+C1C(CN1C(c2nnc(-c3ccc(cc3)OC)o2)=O)Oc4c(cc(C=O)cc4)Cl	624
+O=S(=O)(OC1CN(C1)c2c(c3c(C(C(=CN3C4CC4)C(O)=O)=O)cc2F)F)C	108
+C1N(CC1SC(=O)C)c2scc(C(=O)NC3CN(CC3)C(=O)OCc4ccc(cc4)[N+]([O-])=O)n2	2128
+C1CC(CCC1)CCCCCCCCCCCCOCC(COCCOCCO)OC	967
+c1ncn(CC(c2ccc(c(c2)Cl)Cl)CC=C)c1	1193
+c1(C)c(ccc(OCC)c1)[N+]([O-])=O	4962
+O(c1ccc(Cl)c(C)c1C(=O)c2c(C)cc(OC)c(OCC)c2OC)C	4962
+[N-]=[N+]=NCC1C(O)c2c(O1)c(Cl)cc(c2)Br	133
+c12cccc(OCC3CO3)c1nc(C)s2	10140
+c1cc(ccc1COc2c(cc(c(OCC3OC3)c2)C(=O)NC)Cl)OC	2598
+c1cc(ccc1OC(=O)C(C)(C)CCCCCC)OCC2CO2	2598
+N(=[N+]=[N-])CC1CCOC1	133
+N(=[N+]=[N-])CC1OC(N2C=C(I)C(N)=NC2=O)CC1O	254
+[N-]=[N+]=NCC1ON=C(c2ccc(Br)cn2)C1	133
+C(C1CCc2cc(cc(-c3ccccc3Cl)c2O1)F)N=[N+]=[N-]	254
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	133
+c1ccccc1COCCOCCOCCOCCOCCOCCOCCCCCC(OCC)=O	967
+c1nc2c(c(Nc3cc(c(Cl)cc3Cl)OC)c1C#N)cc4cc(c(OCCCCl)cc4c2)OC	267
+N1C(=O)C(=C(c2cn(CCCSC)c3ccccc23)C1=O)c4cn(C)c5ccccc45	786
+c1cc(ccc1)CNCCN2C(Cl)=CNC(=NCCc3ccccn3)C2=O	10141
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(OCCN=[N+]=[N-])CC2COc4c(F)ccc(F)c34	133
+C(COCCN=[N+]=[N-])OCCO	133
+c1c(cc(OCCOCCOCCOCCN=[N+]=[N-])c(OC)c1OC)C=O	885
+c1cc(ccc1COCCOCCOCCN=[N+]=[N-])OC	133
+c1ccccc1Oc2ccc(F)cc2NCc3c(OCCOS(=O)(=O)C)ccc(c3)OC	208
+N#Cc1cc(F)c(cc1F)CN=[N+]=[N-]	2289
+O=S(=O)(c1cc2c(cn(c2cc1)N)C)C	10142
+Oc1c(cccc1)NC(c2c3c([nH]cc3)ccc2)=O	4963
+c1cc(ccc1C)S(=O)(=O)Oc2c(OC)ccc(CO)c2	41
+c1(c([N+]([O-])=O)cc(c(C)c1)O)OC	3128
+Clc1cc(F)c(cc1O)-n2c(c(C)c(n2)C)C	3128
+O=S(=O)(Oc1cc(C)cc(OCCC=O)c1)c2cccc3nsnc23	24
+c1(n(nc(C)c1[N+](=O)[O-])-c2cc(c(Cl)cc2F)O)C	3128
+O=S(=O)(C)Oc1c(Cl)cc(F)c(c1)[N+](=O)[O-]	31
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CC(OCCCCCC)C(=O)OC	20
+O=S(=O)(Oc1ccc(cc1)OCCCc2ccc(cc2)OCc3ccccc3C(=O)O)C	1
+O=S(=O)(Oc1ccc(cc1)OCCc2ccc(cc2)OCc3ccccc3C(=O)O)C	1
+c1cc(ccc1C)S(=O)(=O)Oc2cc([N+]([O-])=O)c(cc2C(C)C)OC	77
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(C(OC)=O)c3c(c4ccnn4cc3)cc2	69
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(C(=O)OC)c3ncc4c(cco4)c3cc2	69
+C1CC(CCC1O)Oc2nc(nc3[nH]ncc23)-c4ccc(cc4)NS(=O)(=O)c5c(ccc(C)c5)C#N	69
+O=S(=O)(c1n(ncc1C(N=[N+]=[N-])=O)C)N	2279
+O=S(=O)(c1c(C(=O)OC)cccc1)NC(=O)Nc2nc(cc(C)n2)COC3OCCCC3	1722
+O=S(=O)(NC(=O)Nc1nc(cc(C)n1)CO)c2c(C(=O)OC)cccc2	168
+C1COCCN1S(=O)(=O)c2c(C(N)=O)[nH]c3c2ccc(Br)c3	10143
+c1(nc(nc(OC)c1)N(c2ccccc2)C(NS(=O)(=O)c3cc(ccc3C(OC)=O)CCNC(=O)OC)=O)OC	10144
+O=S(=O)(N(COCCOC)c1onc(c1Cl)C)c2c3c(sc2Cc4ccc(C)cc4C)nccc3	1429
+c1cc(ccc1S(=O)(=O)OCC2COc3c(cc(S(=O)(=O)C)cc3O2)F)C	1293
+O=S(=O)(n1c2c(cc1)c(Br)ccc2)c3c(C)cccc3	367
+c1cc(ccc1OCCOS(=O)(=O)c2ccc(cc2)C)CC3SC(=O)NC3=O	1293
+c1ccccc1N2C(=O)CC(COS(=O)(=O)c3ccc(cc3)C)C2c4cc(OC)ccc4	1293
+O=S(=O)(N)c1sc(nc1C)N	1176
+O=S(=O)(c1c(C)nc(N(C)C(Cc2ccc(cc2)-c3cc(F)ccc3F)=O)s1)N	10145
+O=S(=O)(c1cc(S(=O)(=O)c2ccccc2)ccc1CCC)NCCc3ccccn3	71
+c1ccccc1S(=O)(=O)c2cc(c(CCC)cc2)S(=O)(=O)NCCc3ccccc3	71
+O=S(=O)(c1c(CNC(C2CCN(CC)C2)=O)cc(cc1)F)Nc3c(c4OCC5CC5c4cc3)C(O)=O	1
+c1ccccc1NC(=O)OC(CN(C(NC(C)C)=O)CCCCNS(=O)(=O)c2c(Cl)cc(cc2)Cl)COC	589
+CN(C)S(=O)(=O)c1c(ccc(NC(=S)Nc2cccc(F)c2F)c1O)Cl	773
+O=S(=O)(NC1CC1)c2c(O)c(N)ccc2Cl	0
+O=S(=O)(c1c(ccc(N)c1O)Cl)N	0
+O=S(=O)(N(c1ccncn1)Cc2ccc(cc2OC)OC)c3c(F)c(c(cc3)F)F	2023
+O=S(=O)(C)c1c(cc(cc1)CC(=O)C)F	4964
+O=S(=O)(c1c(F)ccc(c1)-c2cc(C=O)ccc2O)C	5
+O=S(=O)(Nc1cccc(c1F)C=O)c2c(F)ccc(c2)F	39
+c1ccccc1CN(Cc2ccccc2)C(COC(=O)N3CCC(CC3)Nc4ccccc4S(=O)(=O)c5ccccc5)C	231
+O=S(=O)(N1c2cc(N)ccc2CCC1)c3c(OC)ccc(c3)Cl	0
+O=S(=O)(c1c(OC)cccc1)Oc2cc(C)cc(OCCC=O)c2	24
+O=S(=O)(c1ccc(C)cc1N)Nc2cc(OC)cc3cccnc23	0
+O=S(=O)(Nc1c2ncccc2ccc1)c3c(N)ccc(C)c3	0
+O=S(=O)(Oc1cc(OCCC=O)cc(C)c1)c2c([N+]([O-])=O)cccc2	24
+O=S(=O)(c1c(C=O)c(Cl)c(cc1)C(O)=O)C	1
+O=S(=O)(C)c1ccc(C(=O)OC)c(Cl)c1C=NO	135
+O=S(=O)(Nc1c(Br)nc(Br)cn1)c2cccc(c2Cl)Cl	3513
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3cnc4n(c3N)ncc4C(OCC)=O	69
+c1ccccc1CS(=O)(=O)c2cc(C(O)=O)cc(S(=O)(=O)N)c2Cl	902
+O=S(=O)(c1c(-c2ccccc2)c(N)cc(c1)C(=O)O)N	0
+O=S(=O)(C)c1c(c(ccc1)-c2ccncc2)-c3ccc(cc3)O	16
+O=S(=O)(c1cc(F)c(cc1F)F)N(Cc2c(OC)cc(OC)cc2)c3ncncc3	2023
+O=S(=O)(c1ccc(NC(=O)CNc2ccccc2)cc1Cl)N	1391
+O=S(=O)(O)c1cc(c(cc1OC)OC)N	0
+O=S(=O)(c1ccc(cc1Cl)Cl)Nc2cc(Cl)c(c(c2)Cl)Oc3cc4c(ccc(C(OC)=O)c4)nc3	69
+O=S(=O)(C)c1ccc(N)cc1F	0
+c1cc(ccc1)COC(COc2cc(C)c(c(c2)C)S(=O)(=O)Cl)=O	204
+O=S(=O)(C)c1c(COC)ccc(Br)c1	49
+O=S(=O)(NC(COC)Cc1c2c(cccc2)[nH]c1)c3cc(ccc3OC(C)C)Br	21
+c1ccccc1COC2CCCN(S(=O)(=O)c3c(ccc(C(=O)OC)c3)Br)CC2	149
+O=S(=O)(c1c([N+]([O-])=O)ccc(C)c1)Nc2c3c(ccc2)cccn3	322
+O=S(=O)(c1c(ccc(Cl)c1)F)Nc2ccc(cc2)-c3nc4[nH]ncc4c(n3)OC5CCC(CC5)O	1002
+O=S(=O)(N)c1cc(ccc1OCC(=O)N2CC(C)N(CC2C)Cc3ccc(cc3)F)Cl	648
+O=S(=O)(c1c(ccc(Cl)c1)O)N	5
+c1ccccc1COC2CCCCC2NC(Nc3c(c(S(=O)(=O)N)c(Cl)cc3)O)=O	406
+O=S(=O)(c1c(Cl)ccc(N)c1O)N(C)C	0
+O=S(=O)(c1c(O)c(ccc1Cl)N)NCC	0
+O=S(=O)(Oc1cc(O)cc(C)c1)c2c(OC)cccc2	992
+c1cc(ccc1S(=O)(=O)c2c(cccc2)Br)C=O	39
+C1CCCN1CCOc2ccc(cc2)N(Cc3cccc(OC4OCCCC4)c3)S(=O)(=O)c5c(C#N)cccc5	416
+O=S(=O)(c1ccccc1Cc2c(n(c3ccc(F)cc23)CC(OC)=O)C)O	1919
+c1cc(ccc1-n2c(nc3c2nc(cc3C)C)CC)CCNC(=O)NS(=O)(=O)c4c(cccc4)Cl	10146
+O=S1(=O)c2ccccc2-c3c(c4nccnc4cc3)N1	1763
+c1ccc2c(c1)C(=O)N(C2=O)CC(Cc3ccccc3)N(Cc4c(cccc4)C(=O)O)S(=O)(=O)c5c(cccc5)OC	1
+O=S(=O)(Nc1c(C=O)cccc1)c2ccccc2[N+](=O)[O-]	39
+C(=C)CONC1C=C(C)C(NC1)C(=O)N	2862
+O=S(=O)(N=C=O)c1cscc1C	4361
+O=S(=O)(c1cc(sc1Cl)Cl)NC(C)COc2cccc3cnccc23	10147
+O=S(=O)(Nc1c(cc(NCCCCCC)cc1)OC)c2c(C(OC)=O)scc2	4869
+O=S(=O)(c1ccsc1C(OC)=O)N(C)CC(O)c2ccc(cc2)F	10148
+C1CN(CCO1)S(=O)(=O)c2c([nH]c3c2cccc3N)C(=O)N	13
+O=S(=O)(c1cccc2c3NC(C(Nc3cc([N+]([O-])=O)c12)=O)=O)N	10149
+ClCC(CCl)Oc1c(c(ccc1)CS(=O)(=O)c2cccc3c2cccc3)N	0
+O=S(=O)(c1c2c(cccc2)ccc1)n3ncc4c3cc(cc4)N	0
+O=S(=O)(N)c1n(nc2cccc(OCCF)c12)C	10150
+c1ccccc1C(=O)CNC(CC2COCc3ccccc3CN2S(=O)(=O)c4cccc5cccnc45)=O	612
+O=S(=O)(Cc1c(c(OCCCl)cc(F)c1)[N+]([O-])=O)c2cccc3c2cccc3	1177
+O=S(=O)(Cc1cc(ccc1[N+]([O-])=O)OC2CN(Cc3ccccc3)CC2)c4c5ccccc5ccc4	1177
+O=S(=O)(Cc1cc(F)ccc1[N+]([O-])=O)c2cccc3c2cccc3	1177
+c1ccccc1COC(N2CCC(C2)Oc3cc4c([nH]nc4S(=O)(=O)c5cccc6ccccc56)cc3)=O	1025
+O=S(=O)(N(c1onc(C)c1Cl)COCCOC)c2c3cccnc3sc2Cc4cc5OCOc5cc4C	1429
+O=S(=O)(c1cc(-c2c(c3c([nH]2)cccc3)CC(=O)O)ccc1Cl)Cc4cc(Cl)ccc4	4
+O=S(=O)(c1cccc(-c2sc(cc2)-c3nn(C)cc3-c4ccccc4Cl)c1)C	800
+O=S(=O)(c1cc(c(cc1)Oc2c(cccc2CO)C)Br)CC	41
+O=S(=O)(CCC)c1cc(OCCCCCCc2cccc(OCCCC(OCC)=O)c2CCC(OCC)=O)cc(Br)c1	8
+O=S(=O)(c1cc(ccc1OC)C#N)Cl	274
+O=S(=O)(c1ccc(c(c1)C(O)=O)SC)C	411
+O=S(=O)(n1c2ccccc2cc1)c3cc(c(cc3)Br)C(O)=O	367
+O=S(=O)(c1cc([N+]([O-])=O)cc(c1)C(=O)O)C	31
+O=S(=O)(Nc1c2ncccc2ccc1)c3c(N)cc(F)c(c3)C	0
+O=S(=O)(Nc1ccccc1OC)c2cc(C=CC(O)=O)ccc2	127
+c1cc(ccc1F)CC(C(OC)=O)c2cc(ccc2)S(=O)(=O)C	3546
+O=S(=O)(c1c2c(cccc2[N+](=O)[O-])c(c(CCO)c1)Br)N	59
+c1cc(ccc1)CNS(=O)(=O)c2cccc(c2)C=O	39
+c1cc(ccc1C#N)NC(c2ccc3c(N(S(=O)(=O)c4c(OC)ccc(Cl)c4)CCO3)c2)=O	67
+c1cc(ccc1C(OCC)=O)NC(c2ccc3c(N(S(=O)(=O)c4c(OC)ccc(Cl)c4)CCO3)c2)=O	67
+c12c(cccc1)C(=O)N(C2=O)OCCCOc3cc(OS(=O)(=O)c4cc(Cl)ccc4OC)cc(C)c3	1395
+O=S(=O)(Nc1ccc(C(=O)OCCOCCO)c(O)c1)c2cc(Cl)sc2Cl	47
+O=S(=O)(C)c1ccc(C(Nc2ccc(cc2F)Br)=O)c(F)c1	50
+O=S(=O)(c1ccc(c(c1)F)F)n2c(cc(c2)C=O)-c3ccccn3	917
+c1cc(ccc1OC)Cn2nc(-c3cc(ccc3)NS(=O)(=O)c4cc(ccc4F)F)c(-c5ccnc(N)n5)c2	69
+O=S(=O)(c1cc(ccc1F)F)Nc2ccc(c(c2F)-c3nn(cc3-c4ccncc4)CC)F	69
+O=S(=O)(c1cc(N2C(Nc3c(c(C#N)sc3)C2=O)=O)ccc1)N4c5ccccc5CCC4	4965
+O=S(=O)(N1c2ccccc2CCC1)c3cc(ccc3)N4C(=O)Nc5csc(c5C4=O)-c6nnn[nH]6	10151
+O=S(=O)(c1cc(OC)c(cc1)OC)Nc2c(Cl)ccc(c2)C(C)=O	155
+CC(C)(c1ccc(Cl)c(NS(=O)(=O)c2cc(OC)c(cc2)OC)c1)O	3129
+O=S(=O)(NCCC(O)=O)c1cc(OC)ccc1	3
+c1cc(ccc1)CNS(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2	3564
+O=S(=O)(c1cc(c([N+]([O-])=O)cc1)N)C	10152
+O=S(=O)(c1cc(cc(Cl)c1)[N+]([O-])=O)NC	1030
+O=S(=O)(c1cc(cc(C(O)=O)c1)N)C	0
+O=S(=O)(C)c1cc(O)c(c(F)c1)CO	49
+c1cc(ccc1)N(C)S(=O)(=O)c2cc(c(Cl)cc2)[N+](=O)[O-]	416
+O=S(=O)(c1cc(c2c(c1)[nH]cn2)Br)c3cc(C(OC)=O)sc3SC	631
+O=S(=O)(c1ccc(c(N)c1)N)C	0
+O=S(=O)(c1cc(c(O)c(c1)N)Br)CC	0
+O=S(=O)(c1cc(c(C(O)=O)c(c1)F)O)C	1
+O=S(=O)(c1cc(c(Cl)cc1)C)Nc2c(C(c3c(cccc3C)OC)=O)ncc(Cl)c2	2258
+O=S(=O)(c1cc(c(Cn2c3c(cccn3)c(CC(=O)O)c2C)cc1)Cl)C	4
+O=S(=O)(c1ccc(NC(CNc2ccccc2)=O)c(C)c1)N	1391
+C1CC(CCN1)N2CCC(Nc3c(cc(S(=O)(=O)C)cc3)F)C2=O	62
+O=S(=O)(c1cc(c(Oc2cc(ccc2CCc3nnn[nH]3)Cl)cc1)Cl)C	1104
+O=S(=O)(c1cc(c2ncn(c2c1)-c3ccccc3)Br)c4cc(C(OC)=O)sc4SC	2846
+O=S(=O)(c1cc(cc(c1)Cl)N)NC	0
+O=S(=O)(c1cc(Br)cc(c1)OCCCCCCc2cccc(OCCCC(OCC)=O)c2CCC(OCC)=O)C	8
+O=S(=O)(c1cc(Br)cc(c1)O)CCC	5
+O=S(=O)(c1cc(CO)ccc1)NCc2ccccc2	49
+O=S(=O)(c1cccc(CO)c1)NCc2ccccn2	49
+O=S(=O)(c1cc(ccc1)C)N2c3cc(cnc3CCC2)C(O)=O	1
+O=S(=O)(c1cc(ccc1)F)c2ccc3CCC(Oc3c2)CN	18
+O=S(=O)(Cc1c(c(c(-c2ccoc2)cc1)OC)C(=O)OC)c3cc(ccc3)OC	10153
+c1cc(ccc1-n2c(C)c(-c3ccccc3)c(C)n2)CCNC(=O)NS(=O)(=O)c4cccc(OC)c4	1777
+c1cc(ccc1)C(NC(c2cc(ccc2)NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)CC(OCC)=O)=O	69
+c1ccccc1C(C(=O)NC(CC(=O)OCC)c2cc(ccc2)NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)CC	69
+O=S(=O)(c1cc(ccc1Cl)-c2c(c3cccc(Cl)c3[nH]2)CC(=O)OC)NC4CCCCC4	2155
+O=S(=O)(c1cc(-c2c(CC(OC)=O)c3ccccc3[nH]2)ccc1Cl)Cc4cc(Cl)ccc4	2155
+O=S(=O)(c1cc(-c2[nH]c3c(Cl)cccc3c2CC(O)=O)ccc1Cl)NC4CCCCC4	4
+O=S(=O)(F)c1cc(ccc1Cl)N	0
+O=S(=O)(c1cc(ccc1F)N)NC2CC2	0
+c1cc(ccc1)-c2nc(cc(c2)S(=O)(=O)c3ccc(cc3)N)N4CCCC4	119
+c1cc(ccc1)C#Cc2nc(N3CCCC3)cc(S(=O)(=O)c4ccc(cc4)N)c2	943
+O=S(=O)(C)c1ccc2N=C(N(C(c2c1)=O)C)C(N3CCN(CC3)S(=O)(=O)c4ccc(cc4)OC)C	10154
+O=S(=O)(c1ccc2NC(C(C)(C)Cc2c1)c3cccc([N+](=O)[O-])c3)C	414
+O=S(=O)(c1cc2C(CCc2cc1)O)C	74
+O=S(=O)(c1ccc2c(C=CC2)c1)C	1358
+O=S(=O)(c1cc2CCCC(c2cc1)C#N)c3ccccc3	4966
+O=S(=O)(c1cc2CCCC(c2cc1)CN)c3ccccc3	51
+O=S(=O)(c1ccccc1)c2cc3c(cc2)C(CCC3)CN=C(N)N	4967
+O=S(=O)(C)c1cc2OC(COc2cc1)COS(=O)(=O)c3ccc(cc3)C	36
+O=S(=O)(C)c1cc2OC(COS(=O)(=O)c3ccc(cc3)C)CCc2cc1	36
+c1cc(ccc1Cc2c3ccc(cc3[nH]c2C)S(=O)(=O)C)Br	1919
+O=S(=O)(c1ccccc1)c2ccc3C(O)CCCc3c2	74
+c1cc(ccc1S(=O)(=O)c2cc3c(cc2)cc(Br)cc3)O	5
+c1cc(ccc1S(=O)(=O)c2c3ccc(S(=O)(=O)C)cc3ccc2OC)F	2290
+O=S(=O)(c1sc2c(c1)cc(CO)cc2)N	59
+O=S(=O)(c1ccc2ncnc(Nc3cc(ccc3)C#C)c2c1)n4cc(cc4)C=CC(=O)OCC	2212
+c1cccn1-c2cc(C(=O)NC(=O)Nc3sc4cc(S(=O)(=O)C)ccc4n3)c(cc2)Cl	10155
+O=S(=O)(c1ccc(-c2sc(nc2C)NC(=O)NCCc3ncc(o3)CC)cc1F)C	10156
+O=S(=O)(C)c1c(cc(-c2c(nc(s2)NC(C)=O)C)cc1)-n3cncc3	431
+O=S(=O)(c1ccc(-c2oc(C)cc2)c(F)c1)Nc3cc(ccc3)N	0
+C1C(C)NC(CN1c2ccc(OC)c(NS(=O)(=O)c3ccc(-c4ccc(C)o4)cc3Cl)c2)C	1752
+O=S(=O)(c1ccc(s1)C(O)=O)N2CCN(C(c3ccccc3)=O)CC2C	6
+C1CC(CCC1CC(c2cc(c(S(=O)(=O)C)cc2)Cl)C(Nc3cnccn3)=O)=O	1018
+O=S(=O)(c1ccc(C(=O)O)c(c1C=2CCON=2)C)C	1
+O=S(=O)(C)c1ccc(C(O)=O)c(C)c1OCCOC	1
+C(C)C(CC)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)O	684
+C1CN(CCC1OC2=CC(=O)N(C=C2)c3c(cc(S(=O)(=O)C)cc3)C)c4ncc(cn4)CCC	4181
+CC(C)(c1sc(nn1)NC(c2cc(ccc2F)S(=O)(=O)NCC)=O)c3ccccc3	900
+O=S(=O)(C1CC(C(NC2(CC2)C#N)=O)C(C1)COc3ccncc3)c4ccc(F)cc4Cl	1175
+OB(O)c1ccc(CCOC(Nc2cccc(C#N)c2)=O)c(c1)C	4968
+OB(O)c1ccc(CCOC(Nc2cccc(C#N)c2)=O)c(CC)c1	4968
+O=S(=O)(c1ccc(Oc2c(F)cc(cc2)F)c(N)c1)N	0
+c1ccccc1-c2cc(S(=O)(=O)C)ccc2C=O	39
+c1cc(ccc1)C(COc2c(C(=O)c3ccc(S(=O)(=O)C)c(C4=NOCC4)c3C)cnn2CC)=O	10157
+O=S(=O)(c1ccc(c(Cl)c1)Cl)n2c(c(c3c2nccc3)C(C(=O)O)C)C	4
+c1cc(ccc1NCC(=O)Nc2c(Cl)cc(S(=O)(=O)N)cc2)Cl	1391
+O=S(=O)(C)c1ccc(C(O)=O)c(c1C2=NOC(C2)C)Cl	1
+O=S(=O)(c1c(c(F)c(F)cc1)F)C2CC2	4948
+c1cc(ccc1-c2nc3c(cc(S(=O)(=O)C)cc3)[nH]2)Br	10158
+O=S(=O)(Oc1c(-c2ccccc2)cc(cc1)C(=O)c3c(Cl)cccc3)c4cc(O)c(cc4)C(O)=O	1163
+c1ccccc1S(=O)(=O)c2ccc(c(N)c2)O	0
+O=S(=O)(c1cc(c(cc1)Cn2c(C)c(c3c2nccc3)CC(=O)OC)Cl)C	1836
+c1cc(ccc1OC)-c2c(nc3cc(ccc3n2)S(=O)(=O)O)-c4ccc(cc4)OC	3113
+c1cc(ccc1F)C(c2ccc(cc2)F)CCN(C3CC3)C(Nc4nc(-c5ccc(cc5)S(=O)(=O)N)c(Cl)s4)=O	2704
+O=S(=O)(c1ccc(cc1)-c2cnc(nc2)CC)Nc3c(F)c(F)c(c(c3F)F)C(O)=O	1
+O=S(=O)(c1ccc(cc1)-n2c3ncccc3c(C(O)=O)c2)C	1
+c1cc(ccc1Br)S(=O)(=O)NCCCCOc2ccc(cc2)-n3cnnn3	71
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)c3ccncc3)Cl)Br	69
+O=S(=O)(c1ccc(cc1)C(C=Cc2cc(-c3[nH]c4ccccc4c3)c(OC)cc2OC)=O)NCC(=O)O	2292
+O=S(=O)(c1ccc(cc1)C(CN(Cc2c(C)c3c(s2)C(=O)C(C(NCc4ccc(cc4)Cl)=O)=CN3C)C)O)N	822
+c1ccccc1COc2nn(Cc3ccccc3)cc2CC#N	881
+O=S(=O)(N1C=CNC(=O)C1Cc2cn(nn2)C3c4c(CCC3)cc(C=O)cc4)c5ccc(cc5)C	642
+c1cc(ccc1C)S(=O)(=O)NC2CCCC2(N)C	18
+O=S(=O)(c1ccc(cc1)C)OC(Cc2nn3c(nc4c(c3n2)cccc4OC)N)C	4184
+N1(CCc2c(nc(o2)C)C1)C(Cc3nn4c(c5cccc(OC)c5nc4N)n3)C	2687
+O=S(=O)(c1ccc(cc1)C)OC=2C=3C(N(C4CC4)C(N(c5cccc(N)c5)C=3N(C)C(C=2)=O)=O)=O	0
+FC(F)(F)C1(COS(=O)(=O)c2ccc(cc2)C)OC1	10159
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(cc4CCCc4c3O2)Cl)C	419
+O=S(=O)(c1ccc(cc1)C)OCC(Cc2c(O)c3c(cc2Cl)CCC3)O	16
+C(C)(=O)CC(C(O)CN=[N+]=[N-])O	254
+C1CC(CCC1)(C)COc2ccc(cc2)C	450
+c1c(C)c(c(cc1OCC2CN(C)c3ccccc3O2)C)Br	267
+c1cc2c(noc2cc1F)-c3cc(ccc3)OCC4CO4	450
+O=S1(=O)CC(CC1)COc2c3ccn(-c4nc(ncc4)SCCC)c3ccc2	267
+[N-]=[N+]=NCC1COc2cccc(c2N1)OC	254
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CC4OC(N(Cc5ccc(cc5)F)C4)=O	236
+[N-]=[N+]=NCC1OCN(C1)c2ccc3C(N4C(=Nc3c2)C(c5cc(ccc45)F)=O)=O	254
+CC(C)=CCCC(=CCCC(C)=CCCCOCC(C(CO)O)O)C	10160
+c1cc(ccc1CSCCn2ccnn2)OCC=C	10161
+c1cnccc1-c2cn(c3nc(Cl)nc(c23)Nc4ccc(cc4)F)S(=O)(=O)c5ccc(cc5)C	2997
+c1cnccc1-c2c3c(NC4CC4)nc(nc3n(c2)S(=O)(=O)c5ccc(cc5)C)Cl	2997
+O=S(=O)(c1ccc(cc1)C)n2c3c(cc2)n4c(cn3)nnc4C5C(CC(Nc6sc(C#N)cn6)C5)CC	4843
+n1c(NC2CC(C(CC)C2)c3nnc4cnc5[nH]ccc5n34)sc(c1)C#N	4969
+O=S(=O)(c1ccc(cc1)C)n2c3c(cc2)n4c(C5CC(N)CC5CC)nnc4cn3	524
+c1ccccc1-c2cc3c(nc2)[nH]cc3-c4ccc(cc4)C(O)=O	392
+O=S(=O)(c1ccc(cc1)C)n2c3c(c(c2)I)c(nc(Cl)n3)Nc4ccc(cc4)F	1665
+O=S(=O)(n1c2nc(Cl)nc(c2c(I)c1)NCc3ccccc3)c4ccc(cc4)C	974
+c1cc(ccc1S(=O)(=O)n2ccc3c2nc(nc3Nc4cc5c(cc4)c[nH]n5)Nc6ccc(cc6)N(C(=O)C)C)C	55
+c1cc(ccc1SC)Nc2nc3n(ccc3c(n2)Nc4cc5c(cc4)c[nH]n5)S(=O)(=O)c6ccc(cc6)C	55
+c1cc(ccc1Nc2nc(Nc3cc4c(cnn4C)cc3)c5c(n(cc5)S(=O)(=O)c6ccc(cc6)C)n2)C(=O)N	55
+O=S(=O)(n1c2c(cc1)c(Br)cnc2O)c3ccc(cc3)C	3107
+c1cc(ccc1)C(c2ccccc2)CCN3CCC(CC3)N(C)C(Cc4ccc(cc4)S(=O)(=O)F)=O	10
+c1cc(ccc1CNC(=O)c2cnc3c(cn[nH]3)c2)S(=O)(=O)c4ccccc4	56
+c1ccccc1C(c2cc(Br)ccc2C(=O)N(CC(CCC)O)Cc3ccc(cc3)S(=O)(=O)C)=O	30
+O=S(=O)(c1ccc(cc1)Cc2ccc(cc2)N)N(C)C	0
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCN	18
+c1cc(ccc1CN(C(CC)c2ccccc2)S(=O)(=O)c3ccc(cc3)Cl)C(OC)=O	692
+O=S(=O)(N(C1C(CCCC1)C)Cc2ccc(cc2)C(=O)OC)c3ccc(cc3)Cl	692
+c1cc(ccc1S(=O)(=O)N(Cc2ccc(cc2)-c3ncon3)C4CCCCCC4CO)Cl	692
+c1cc(ccc1S(=O)(=O)c2ccc(cc2)F)N	0
+c1cc(ccc1S(=O)(=O)c2ccccc2CO)F	41
+O=S(=O)(c1ccc(cc1)N2c3c(-n4c(C)nnc4C(C)C2)ccc(c3)Br)C	2335
+c1cc(ccc1S(=O)(=O)F)N=Nc2ccc(c(Cl)c2)O	725
+c1cc(ccc1S(=O)(=O)N2CCC(C)(C)CC2)NC(c3ccc([N+](=O)[O-])o3)=O	1129
+O=S(=O)(CC)c1cc(c(cc1)O)[N+](=O)[O-]	31
+c1cc(ccc1OCc2ccc3ccccc3c2)S(=O)(=O)NCC(C(=O)OC)N4CCCCC4	22
+C(C)N(CC)CC=Cc1cc(ccc1S(=O)(=O)Nc2c(C(=O)O)c3ccn4c(c3cc2)ccn4)F	1
+O=S(=O)(c1ccc(cc1CC2CCN(CC2)CC)F)Nc3c(c4OCC5CC5c4cc3)C(O)=O	1
+O=S(=O)(N=[N+]=[N-])c1c(cc(cc1)Br)CCC	10162
+O=S(=O)(c1ccc(cc1Cl)Cl)Nc2cc(Cl)c(c(c2)Cl)Oc3cnc4ccc(cc4c3)C(=O)O	1
+c1cc(ccc1F)-n2c3C=C4C(Cc3cn2)(COCC)CN(CC4)S(=O)(=O)c5ccc(Cl)nc5	1027
+O=S(=O)(N1CC2(C(=O)c3ccccn3)C(=Cc4c(cnn4-c5ccc(cc5)F)C2)CC1)c6ccc(Cl)nc6	1027
+O=S(=O)(c1ccc(s1)-c2cc(c(O)nc2C)CC)NCC(O)c3ccccc3	1427
+c1cc(ccc1)N2CCN(CC2)S(=O)(=O)c3sc(cc3)-c4cc(c(O)nc4C)CC	1147
+O=S(=O)(c1ccc2c(c1)CC(C)(C)C(c3cccc(N)c3)N2)C	0
+O=S(=O)(N)c1ccc2NCCc2c1	621
+c1cc(ccn1)N2CCC(CC2)C(=O)NN3CCN(S(=O)(=O)c4cc5c(cc(Cl)cc5)cc4)CC3=O	1038
+Fc1c(F)c(c(F)c(F)c1F)OS(=O)(=O)c2ccc3c(nccc3c2)Cl	681
+c1cc(ccc1-n2c(nc3c(cc(C)nc23)C)CC)CCNC(=O)NS(=O)(=O)c4cc5c(cccc5)cc4	1777
+O=S(=O)(c1cc2sc(nc2cc1)NC(=O)Oc3ccc(cc3)F)C	810
+O=S(=O)(c1ccc2ncnc(Nc3cc(ccc3)C#C)c2c1)n4cc(C=CC(=O)NO)cc4	792
+O=S(=O)(c1ccc2ncnc(Nc3cc(ccc3)C#C)c2c1)n4ccc(C=CC(=O)O)c4	108
+O=S(=O)(c1cccc(-c2c3c(c(C(=O)N)nc2)[nH]c4c3cc(cn4)C)c1)CC	1198
+O=S(=O)(c1cc(ccc1)C(O)=O)NCc2ccccc2	71
+O=S(=O)(Nc1ccc2c(cccc2)c1)c3cc(ccc3)C=CC(NO)=O	2291
+O=S(=O)(c1cccc(c1)C=CC(=O)O)Nc2ccc3c(cccc3)c2	127
+O=S(=O)(Nc1c2c(ccc1)cccc2)c3cc(C=CC(O)=O)ccc3	127
+O=S(=O)(NCc1ccccn1)c2cccc(c2)C=O	39
+CN(C)c1cccc(c1)-c2c(C)sc3nc(cc(NS(=O)(=O)c4cc(ccc4)Cl)c23)C	10163
+O=S(=O)(c1cc2c(cc1)C(=O)CCC2)c3ccccc3	992
+CN(C)CCNS(=O)(=O)c1cc(Nc2cc(nc3c2cccc3)C)ccc1	179
+O=S(=O)(c1cccc(O)c1)N2C(c3ccccc3-c4c2cc(F)cc4)C	5
+[N+](c1cc2c(c(C)c1)nccc2)([O-])=O	4865
+O=S(=O)(c1cc(ccc1)-c2cc(OCC)ccc2)Nc3cc(c(cc3)C(O)=O)O	11
+O=S(=O)(c1cccc(C=CC(=O)OC)c1)Nc2ccc3c(cccc3)c2	69
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)OC	71
+O=S(=O)(c1cc(C=CC(OC)=O)ccc1)Nc2ccccc2OC	69
+O=S(=O)(Nc1cc(nc2sc(c(c12)-c3cc(OC)ccc3)Br)C)c4cc(ccc4)Cl	69
+O=S(=O)(c1cccc(Cl)c1)Nc2c3c(nc(C)c2)sc(C)c3Br	69
+O=S(=O)(Nc1cncc(c1)-c2sc(cc2)-c3cc4c(cc3)C(N(C)C4)=O)c5cccc(Cl)c5	322
+O=S(=O)(c1cccc2c1cccc2)c3n[nH]c4c(OCCCCl)cccc34	1025
+O=S(=O)(n1ccc2c1cccc2N)c3c4ccccc4ccc3	0
+O=S(=O)(c1cccc2c3NC(=O)C(=O)Nc3cc(N)c12)N	0
+O=S(=O)(c1cccc2ccccc12)c3n[nH]c4ccc(OCCCN)cc34	18
+c1cc(ccc1)CCN2CCC(C2)Oc3ccc4[nH]nc(S(=O)(=O)c5cccc6ccccc56)c4c3	61
+c12c(cccc1)C(=O)N(C2=O)OCCCOc3cc(C)cc(c3)OS(=O)(=O)c4cccc5cnccc45	10164
+O=S(=O)(NCC1=CC(C(=C(C(=O)O)N1C)OCc2ccccc2)=O)c3ccccc3Cl	10165
+O=S(=O)(c1ccccc1)Cc2c(ccc(c2)OCCOS(=O)(=O)c3ccc(cc3)C)[N+](=O)[O-]	36
+c1ccccc1S(=O)(=O)Cc2cc(ccc2N)OCCOS(=O)(=O)c3ccc(cc3)C	0
+c1cc(ccc1)S(=O)(=O)Cc2c(C(=O)OCC)c(c(cc2)Br)O	5
+O=S(=O)(Cc1c(c(c(Br)cc1)OC)C(OC)=O)c2ccccc2	10166
+c1cc(ccc1OC)-c2ccc3c(F)c(OC)ccc3c2	4408
+c1cc(ccc1-c2c(C(=O)O)c3cc(Br)c(cc3o2)N(C)S(=O)(=O)c4ccccc4)F	1
+c1ccccc1S(=O)(=O)NC2CNc3c(C2)cccc3	15
+c1cc(ccc1)S(=O)(=O)NCC=2OC(CO)=C(OCc3ccccc3)C(C=2)=O	3130
+c1ccccc1-c2cc(C(=O)OCC)c(NS(=O)(=O)c3ccccc3)s2	10167
+O=S(=O)(c1ccccc1)Nc2cc(ccc2Cl)-c3[nH]c4ccccc4c3CC(=O)O	4
+c1ccccc1S(=O)(=O)Nc2ccc(c(N)c2)NCC3CCCCC3	0
+O=S(=O)(c1ccc(c([N+]([O-])=O)c1)O)c2ccccc2	31
+O=S(=O)(c1ccccc1)c2ccc3c(c2)OCCN3	15
+c1cc(ccc1)S(=O)(=O)c2cc3NCCOc3cc2	15
+c1cnc(o1)-c2[nH]c3ccc(Cl)nc3c2	3131
+c12[nH]c(C)cc1cc(cn2)OC	1017
+O=S(=O)(c1ccccc1)n2c(c(c3cc(Br)cnc23)C(OC)=O)CN(CC#N)S(=O)(=O)c4ccc(cc4)C	10168
+c1ccccc1S(=O)(=O)n2c3cnc(c(O)c3c4c2ncc(Br)c4)C#N	10169
+O=S(=O)(c1ccccc1)n2c(cc(c2)C=O)Br	200
+c1cc(ccc1)S(=O)(=O)n2cc(-c3ccc(c(c3)OC)OC)c4ccccc24	550
+c1c(cc2c(c1)[nH]c3CCN(c4c(ccnc4)C)C(=O)c23)F	741
+c1cc(ccc1N)C(N2CC(Nc3nc(c(C#N)cn3)-c4c5ccccc5[nH]c4)CC2)=O	741
+O=S(=O)(n1c2c(c3c1ccc(C=C[N+]([O-])=O)c3)cc(cn2)Cl)c4ccccc4	417
+C1CC(CCN1CC(F)F)Oc2c3c4c([nH]c3cnc2C#N)nccc4	10170
+c1ccccc1S(=O)(=O)n2c3c(ccc(F)c3)c(-c4ccc(nc4)Cl)c2	10171
+c1cc(ccc1)S(=O)(=O)n2cc(cc2)CC[N+]([O-])=O	3068
+C1CC1CN(CC(Nc2ccc(cc2F)-c3c(S(=O)(=O)C)cccc3)=O)C(Nc4ccc(cc4)Cl)=O	10172
+O=S(=O)(c1ccccc1C)NC(c2cc(OC)c(cc2)Cn3ccc4ccc(C=CC(NCCC)=O)cc34)=O	258
+O=S(=O)(c1ccccc1C)NC(c2ccc(Cc3c4c(ccc(c4)C(OC)=O)n(C)c3)c(OC)c2)=O	258
+c1cc(ccc1NCc2cc(oc2C)C(NS(=O)(=O)c3ccccc3C)=O)-c4ccccc4	10173
+O=S(=O)(c1ccccc1C)NC(c2cc(OC)c(cc2)Cn3ccc4ccc(CCC(NCCC)=O)cc34)=O	1320
+O=S(=O)(c1ccccc1C)NC(c2ccc(c(OC)c2)Cc3cn(C)c4c3cc(C(=O)O)cc4)=O	1
+c1cc(ccc1I)N2CC(Cn3nnc(C)c3)OC2=O	10174
+O=S(=O)(c1c(CN2C(C=Cc3cnc(SC)nc23)=O)cccc1)CC	10175
+O=S(=O)(c1ccccc1Cc2c3cc(F)ccc3n(c2C)CC(OC)=O)Nc4ccccc4	69
+c1cc(ccc1)COC=2C(C=C(CNS(=O)(=O)c3ccccc3Cl)OC=2C(=O)O)=O	4970
+O=S(=O)(Nc1c(c2c(cc1)C3C(CO2)C3)C(=O)O)c4c(F)cccc4	1
+O=S(=O)(c1c(F)cccc1)Nc2c(c3OCC4C(CCO4)c3cc2)C(O)=O	1
+O=S(=O)(c1cnc(C=Cc2c(F)cccc2)cc1)c3ccccc3F	914
+O=S(=O)(NC)c1c(cccc1)Nc2nc(ncc2[N+]([O-])=O)Nc3c(ccc(OC)c3)OC	55
+CN(C)S(=O)(=O)c1cccc([N+]([O-])=O)c1O	31
+c1ccccc1-c2c3c([nH]n2)cc(c(c3)NS(=O)(=O)c4c(cccc4)S(=O)(=O)C)C	69
+CN(C)C(=O)C=1C(CNC(COC)C=1)NOCC=C	2862
+n1c(C)cc(nc1NC(NS(=O)(=O)c2ccccc2[Se]C)=O)C	1722
+O=S(=O)(c1ccccn1)N(c2c3c(cc(c2)OCCOC)cc([nH]3)C(=O)O)C	6
+O=S(=O)(c1ncccc1)N(C)c2cc(OCCOC)cc3c2[nH]c(C(NCC(C(OC)OC)SCc4ccccc4)=O)c3	81
+O=S(=O)(Nc1cccc2c1n(COC)c(C(=O)O)c2)c3ccccn3	6
+O=S(=O)(N(c1cccc2cc([nH]c12)C=3SC(CN=3)(CCO)C)C)c4cccs4	10176
+O=S(=O)(c1cccs1)N(c2c3[nH]c(cc3c(C)cc2)C(N)=S)C	742
+O=S(=O)(N(c1c2c(ccc1)cc(C(O)=O)[nH]2)C)c3cccs3	6
+O=S(=O)(c1cnc(Oc2cc(c3c(cc(C(O)=O)[nH]3)c2)OC(COC)COC)cc1)C	1
+O=S(=O)(c1cnc(Oc2cc3cc(C(=S)N)[nH]c3c(OC(COC)COC)c2)cc1)C	742
+O=S(=O)(c1cnc(Oc2cc3cc([nH]c3c(c2)O)C(O)=O)cc1)C	6
+O=S(=O)(c1cnc(Oc2cc3cc(C(OCC)=O)[nH]c3c(O)c2)cc1)C	10177
+O=S(=O)(n1cc(C=O)cc1-c2ccccc2)c3ccc(OC)nc3	1690
+C1CNCCC1C2C(CCOc3ccc(cn3)S(=O)(=O)C)C2	62
+c1cc(ccc1)COc2nccc(-c3nnc(S(=O)(=O)C)n3C)c2	1424
+c1ccccc1COC(=O)N2CCCC(C2)C(C)Nc3nccc(n3)-n4cnc5ccccc45	435
+c1cc(ccc1N2CCN(CC2)C)Nc3nc4N(Cc5ccccc5Br)C(=O)C=Cc4cn3	1359
+O=S(=O)(c1ncc(Oc2cc(cc(-c3[nH]c(cc3)C(=O)O)c2)OC(COC)C)cc1)C	426
+O=S(=O)(c1ncc(Oc2cc(cc(c2)-c3[nH]c(C(=O)NC(C(C)O)CO)cc3)OC(COC)C)cc1)C	81
+O=S(=O)(c1ncc(cc1)Oc2cc(-c3ccc(C=4OCC(C(C)O)N=4)[nH]3)cc(OC(COC)C)c2)C	10178
+O=S(=O)(C)c1ccc(Oc2cc(c3[nH]c(cc3c2)C4=NCC(CCO)S4)OCC)cn1	44
+O=S(=O)(c1ncc(Oc2cc(cc(-c3ccc(C=4OCC(C(C)O)N=4)[nH]3)c2)OC(C)CO)cc1)C	88
+c12nc(ncc1ccnc2Cl)Nc3ccc(cc3C)-c4cnn(C)c4	10179
+c1cc(ccc1C=O)NS(=O)(=O)c2ncccc2	39
+O=S(=O)(C)c1nccn1CC(=O)O	3
+O=S(=O)(NCCn1nc(c(c1CC)Cc2cc(Cl)cc(Cl)c2)CC)c3ncn(C)c3	4146
+c1cc(ccc1C2C(CN(S(=O)(=O)c3cn(C)cn3)C2)OC(=O)NCCCC)F	3936
+O=S(=O)(c1ncn(C)c1)N2CCC(CC2)C3NCCc4cc(ccc34)OC	1218
+c1c(F)c(c(cc1)F)COc2cc(ncn2)OCC#CC	10180
+O=S(=O)(Nc1c(F)cccc1F)c2nn3c(n2)c(ccc3Cl)OC	10181
+O=S(=O)(c1n(C)c(nn1)-c2ccnc(O)c2)C	104
+O=S(=O)(c1ccc(C(=O)OCC)s1)N2CCN(C(c3ccccc3)=O)CC2C	1147
+O=S(=O)(Nc1ccccc1N)c2cc3ccccc3s2	1063
+O=S(=O)(Nc1cc(F)ccc1SCc2ccccc2C(=O)OC)c3cc4c(s3)cccc4	1063
+c1ccccc1-c2cc(C(=O)OCC)c(C)n2S(=O)(=O)c3cccnc3	1072
+n1ccc(C)c2c1cc[nH]2	3131
+O=S(=O)(n1c2c(cc(cc2)CC[N+](=O)[O-])c3cc(cnc13)Cl)c4ccccc4	364
+c1cc(ccc1)C(=O)NCCc2ccc3n(S(=O)(=O)c4ccccc4)c5ncc(cc5c3c2)Cl	93
+O=S(=O)(n1c2c(cc(cc2)CCN)c3cc(cnc13)Cl)c4ccccc4	157
+O=S(=O)(n1ccc2c3c(ccc12)OCCNC3)c4ccccc4	2217
+O=S(=O)(n1ccc2c1cccc2)c3cc(C=O)c(cc3)Br	39
+O=S(=O)(c1ccccc1)n2c(C(O)=O)cc3ccccc23	1
+FC(F)c1cc2c(Cl)c(ccc2[nH]1)C#N	741
+O=S(=O)(n1c2c(cc1)cccc2)c3ccc(Br)c(CO)c3	49
+O=S(=O)(n1c2c(c(Cl)c(cn2)CC=O)cc1)c3ccc(cc3)C	465
+O=S(=O)(c1ccc(cc1)C)n2cc(c3cc(cnc23)-c4ccccc4)-c5ccc(c(c5)F)OC	4971
+O=S(=O)(c1ccc(cc1)C)n2cc(-c3ccc(cc3)C(O)=O)c4cc(cnc24)-c5ccccc5	4971
+c1cc(ccc1S(=O)(=O)n2cc(cc2-c3ccccc3)C=O)OC	1639
+c1ccccc1S(=O)(=O)n2cc(cc2Br)C(O)=O	1
+O=S(=O)(n1c2c(cc1)c(ccc2)C=O)c3sccc3	674
+S(C)(c1cccc(C(=O)OC)c1)(=O)=NC(c2cncc(c2)C#Cc3cccc(c3)NC(=O)c4n(nc(C)c4)C)=O	1240
+C1CC1NC(N2CCS(=O)(=O)C(CC(NOC3OCCCC3)=O)(c4sc(cc4)-c5ccc(cc5)-c6cnco6)CC2)=O	437
+C1C2(CC1)S(=O)(=O)CC(NC2=N)(C)c3cc(ccc3F)[N+]([O-])=O	31
+O=S1(=O)CC(CC1)CO	21
+O=S(=O)(c1ccc(cc1)C)OCC2CS(=O)(=O)CC2	36
+O=S1(=O)CCC(C1)Nc2c([N+](=O)[O-])cc(Cl)cc2F	31
+O=S1(=O)CC(CO)CN1CC	118
+c1ccc2c(c1)C(=O)N(C2=O)CC3CS(=O)(=O)N(C3)CC	332
+C1C(CC12CS(=O)(=O)C2)Nc3ccc(Cl)cc3N	0
+C1C(CC1=O)(c2ccc(cc2)OCc3cc4c(cc3)scc4-c5c(cc(cc5)C6=CCS(=O)(=O)CC6)C)CC(OCC)=O	20
+c1cc(ccc1NC(C2=Cc3cc(ccc3S(=O)(=O)CC2)Br)=O)CN(C4CCOCC4)C	4909
+O=S1(=O)CCC(Nc2c(F)cc(cc2N)Cl)C1	0
+O=S1(=O)CCC(C1)c2c3cc(Br)cc(C(=O)O)c3[nH]c2	6
+O=S1(=O)CCCC(c2c3cc(Br)cc(c3[nH]c2)C(=O)O)C1	6
+O=S1(=O)CCCC(c2c3cc(-c4ccoc4)cc(c3[nH]c2)C(=O)N)C1	1628
+O=S1(=O)CCCN1CC23CC4CC(C(N)(C2)C4)C3	4972
+O=S1(=O)CCCN1c2ccc(cc2)-c3n(CC)c4cc(ccc4c3C#N)O	5
+O=S1(=O)CCCN1c2ccc(cc2)NC(=O)C(CCC)Oc3cccc(-c4noc(n4)C)c3	33
+O=S1(=O)CCCN1c2ccc(cc2)N	0
+O=S1(=O)CCCOc2c1ccc(Oc3cc(cc(C(=O)Nc4cnc(cn4)C)c3)OC(C)CO)c2	88
+Fc1cc(cc(F)c1N2CCS(=O)(=O)CC2)N	0
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)[N+](=O)[O-])F	31
+c1cc(ccc1F)CNC(c2nc(c3cccnc3c2O)N4CCN(CCS4(=O)=O)S(=O)(=O)C)=O	4206
+O=S1(=O)CCc2ccsc12	4973
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCc3cccc(C#N)c3	1904
+O=S1(=O)c2c(n(C)cc2)C(CCN1CCCCl)=NO	1213
+O=S1(=O)N(C2(CCNC(C)C2)CN1)c3cc(F)ccc3	62
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(OC(C)C(O)=O)ccc13)C	3
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(ccc13)OCC(=O)O)C	3
+c1ccccc1N2CCCCN(S2(=O)=O)Cc3c(cc(cc3)Br)F	692
+O=S1(=O)N=C2C(c3ccc4c(ccc(c4)OC)c3)CCCN2CC1	2293
+C1CCC1N2c3c(S(=O)(=O)NC2)cc(Cl)cc3	10182
+c1cc(ccc1)C(=O)Oc2cc3c(cc(Br)cc3)cc2N4S(=O)(=O)NC(C4)=O	1039
+O=S(=O)(Nc1cc(c(N)cc1)S(=O)(=O)N)C	10183
+N1CC(CNS1(=O)=O)c2ccc(c(C=3CCCCC=3)c2)N	989
+O=S1(=O)N(c2ccc(cc2)OC)c3ccccc3CN1CCCCl	4974
+O=S1(=O)c2cc(C#N)ccc2C(=O)c3cc(ccc13)F	274
+c1cc(ccc1S(=O)(=O)Oc2c(cnn2CC)C(c3cc(c4S(=O)(=O)CCC(c4c3C)C)C)=O)C	10184
+O=S1(=O)c2c(C(c3ccccc3)NC(CC)(C1)CCCC)cc(c(CCCO)c2)OC	21
+O=S1(=O)c2c(cc(OC)c(CCC(O)=O)c2)C(c3ccccc3)NC(CC)(C1)CCCC	3
+c1cc(ccc1)C(OC2CCS(=O)(=O)c3c(C)cc(c(C)c23)C(=O)O)=O	279
+O=S1(=O)CCC(=Cc2cc(ccc12)Br)C(=O)O	127
+c1cc(ccc1F)N2CCN(CC2)CCCN3CCC(c4n(C)ccc4S3(=O)=O)=NO	53
+O=S1(=O)N(C)CC(=NO)c2n(ccc12)CCCCN3CCC(CC3)C(=O)c4ccc(cc4)F	53
+C1CCCCC1C2=NS(=O)(=O)c3cc(N)ccc3N2	10185
+c1cc(ccc1CN2C(C(=C(O)C3C4CCC(C23)C4)C5=Nc6c(S(=O)(=O)N5)cc(cc6)I)=O)F	10186
+O=S1(=O)c2ccc(-c3ccc(cc3)N4CCCCC4)cc2C=C(C(=O)O)CC1	127
+O=S1(=O)N(c2ccc(cc2)Cl)C(N(C)c3c1ccc(O)c3)=O	5
+O=S1(=O)c2c(n(cc2)CCCCCl)C(CN1C)=NO	1213
+O=S(=O)(N)c1ccccc1SCCOC	10187
+O=S(=O)(Cl)c1cc(CC)c(Cl)cc1	4365
+c1ccccc1Oc2ccc(C(O)=O)nc2	10188
+c1cc(ccc1)CNCCCNc2cc(c(C)cc2[N+](=O)[O-])C	42
+c1(N)c(ccc(c1)O)NC(=O)COc2cc(ccc2)OCC	0
+[N+](=O)(c1cc(cc([N+](=O)[O-])c1)SCCCCN2C(c3c(cccc3)C2=O)=O)[O-]	636
+O(c1cc2nc[nH]c2cc1)CCCCCCCCCCCCBr	3132
+c1cc(c(N)c(c1OC)[N+]([O-])=O)Br	0
+c1(c(CC(=O)OCC)c2c(cccc2)c(N)c1)[N+](=O)[O-]	0
+C(c1c(cc(OC)c(c1)N)OC)(CCCCCl)=O	0
+c1c(c(OC)cc(c1C)C)N	0
+c1c([N+]([O-])=O)cc(cc1C=C)[N+]([O-])=O	10189
+c1cc(c(c(F)c1F)COc2cc(Nc3nc(Cl)ccc3N)c(Cl)cc2OC)OC	13
+N#Cc1ncccc1Cl	10190
+c1(nn2c(cccc2c1[N+]([O-])=O)Br)CC	10191
+c1ccccc1C(=O)Nc2n[nH]c3c(F)cc(cc23)[N+]([O-])=O	2166
+O=Cc1c(ccc(C)n1)-c2oc(cn2)CC	1436
+c12-c3c(cccc3)C(c1cccc2)COC(=O)NC(c4nc(C=O)c5c(cccc5Cl)c4)C	1436
+c12c(c(ccc1C=CC(=O)N2C)OC)CC=O	465
+c1(C=O)cc2c(Cl)ccnc2cc1	674
+c12ncc(OC)cc1N(C(=O)C=C2)CC=O	465
+c1c(Br)cc2c(C(N(CC=O)CC2)=O)c1	465
+c1cc(ccc1F)-c2c(COc3ccc(C(=O)OC)cn3)c(on2)C=O	4975
+c1cc(ccc1-c2c(COc3ccc(C(=O)OC)cn3)c(on2)C=O)Cl	4975
+c1cc(ccc1)COc2c(ccc(C=O)n2)[N+]([O-])=O	1436
+c1cc(ccc1-c2noc3-c4c(cc(C=O)cc4)CCc23)CCC	674
+c1cc(ccc1-c2oc3c(cc(c(N(c4ccc(C=O)c(Cl)c4)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	674
+c1cc(ccc1Cl)C=2N(C(N(N=2)CC(OC)=O)=O)CC=O	465
+c1cc(ccc1)CC2COC(=O)N2C(=O)C3C(CC(=O)C3)c4ccc(cc4)Cl	10192
+c1ccccc1COC(=O)NC2C(CC=O)N(C2=O)C(=C(C)C)C(OC)=O	465
+c1ccccc1COc2c3nc(cc(C=O)c3ccc2)C	674
+c1nc(c2n1-c3c(c(ccc3)CC=O)OC2)C(=O)OCC	465
+c1ncn(CC(CC=O)c2ccc(c(c2)Cl)Cl)c1	465
+c1c2c(c(Cl)cc(n2)C=O)ccc1OC	501
+O=Cc1nc2c(cc1)cc(F)c(OCC)c2	501
+O=Cc1nc2c(cc1)cc([N+]([O-])=O)cc2	501
+Cc1cccc(C)c1-c2nc(c(cc2)F)C=O	501
+O(COC)c1ccc2ccc(nc2c1C#N)C=O	501
+c1(OC)c(OC)c(cc2nc(C=O)ccc12)OC	501
+c1(ncccc1[N+](=O)[O-])C=O	501
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5c(c(I)n4)c(C=O)nc(Cl)c5	501
+c1cc2ccc(c(c2nc1C=O)[N+](=O)[O-])OCOC	501
+c1cc(ccc1)-c2nnc3cccc(c3c2)C=O	3133
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(c(nc(Cl)c5)C=O)c(N6CCOCC6)n4	501
+c1(C=O)ccc2ncccc2c1	3133
+O=Cc1nc2cccnc2cc1	501
+O=Cc1ccnc2ccc(cc12)C#N	3133
+c1cc(c(C)nc1)[N+](=O)[O-]	10193
+c1cc(ccc1CN2c3c(C(N(CC(c4cc(C)c(OC)cc4)=O)C2=O)=O)cc(s3)CC)-c5c(C#N)cccc5	10194
+c1([N+]([O-])=O)c(OC)c(cc(C#N)c1)C(=C)C	4166
+C1CC1c2cc(cc3cc[nH]c23)[N+]([O-])=O	4976
+C1CC1c2c(C(OC)=O)c(F)ccc2	365
+C1CC1c2c3c(c(F)cc2)c(C(=O)OC)c[nH]3	4976
+C1CC1c2nc(C(=O)OCC)ccc2	2222
+C1CC1c2cc(C(=O)OC)c(Cl)nc2	940
+C1CC1c2ccc3c(cnnc3O)c2	365
+C1CC1c2c(cc(c(CC(=O)OC)c2)C)C	365
+C1CC1c2cnn(C)c2-c3csc(C(=O)OC)c3	10195
+C1CC1c2c(c(cnc2)Br)Cl	940
+C1CC1c2c(Nc3ccccc3C(NOC)=O)cc(Cl)nc2	940
+c1c(F)c(c(cc1C2CC2)F)[N+](=O)[O-]	365
+C1CC1c2ccc(c(c2)C)C(OC)=O	365
+C1CC1c2ccc(C(=O)OC)c(c2)F	365
+C1CC1c2cc(c(C(=O)OC)cc2)O	365
+C1CC1c2ccc(F)c(c2)[N+]([O-])=O	365
+C1CC1c2cc(c(cc2)N)[N+](=O)[O-]	365
+C1CC1c2ccc3c(c2)ncs3	10196
+C1CC1c2cc(CO)c(OCC)cc2-c3ccc(cc3)F	10197
+c1cc(ccc1-c2c(F)c(OC(C)C)c(cc2C3CC3)C=O)F	365
+C1CC1c2ccc(cc2)C=O	365
+c1cc(ccc1-c2c(C3CC3)nccn2)CC(OC)=O	10198
+C1CC1c2cccc(N3C(=O)C(=C(N=C3C)CCCC)Cc4ccc(cc4)-c5ccccc5C#N)c2	365
+c1cc(ccc1F)N2N(C(=C(C3CC3)C2=O)C)C	10199
+C1CC1c2cc(Cl)ccc2CCNC(=O)c3ccc(cc3)Oc4c(cc5c(OCCC5C(OCC)=O)c4)Cl	365
+C1CC1c2cnc(cc2)N	940
+C1CC1c2cccc(N3CCn4c(cc(n4)OCc5ccccc5)C3=O)n2	2222
+c1cc(cc(c1OC)C=2CCCC=2)F	989
+c1c(nc(C=2CCCCC=2)c(F)c1)C(=O)O	3061
+c1cc(ccc1C=Cc2cc(-n3nc(CC)c(C(OC)=O)c3CC)ccc2)Cl	10200
+c1ccccc1C=Cc2nc(nc(c2)Cl)N	4679
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)(c3cc4c(nccc4C=Cc5ccccc5)cc3)O	10201
+CC(C)Cc1ccc(cc1C#N)[N+]([O-])=O	4868
+OB(O)CCCCn1cnc2c(Cl)nc(N)nc12	637
+c1(c(C)cc(C)cc1OC)-c2n3nc(CC)c(c3c(cc2)OC)[N+](=O)[O-]	4977
+c1(-c2c(Cl)cc(OC)cc2)cccc3c(c(nn13)CC)[N+]([O-])=O	4977
+[N+]([O-])(c1c(cccc1)-c2cc(OC)c(cc2)OC)=O	750
+c1cc(ccc1OCCOCCCC)-c2cc3C=C(C(=O)OC)CCCNc3cc2	750
+c1cc(ccc1OCCOCCCC)-c2cc3C=C(CCNc3cc2)C(=O)OC	750
+c1(C=O)c(ccc2cc(-c3cc(ccc3)OC)ccc12)OC	750
+c1cc(-c2cc(ccc2)CC(N)=O)cc(c1)OC	10202
+c1cc(ccc1S(=O)(=O)OCC2COc3c(c(ccc3)-c4ccc(cc4C)OC)O2)C	11
+Cc1oc(-c2ccc(OC)cc2C)cc1C=O	1242
+c12c(cc(-c3cc(ccc3C)F)cc1)cnc(N)c2	11
+c1cccc(c1C)-c2n3c(c(C)n2)c(nc4ccc(F)cc34)C	4978
+Cc1ccccc1-c2c(F)cc(cc2)OC	11
+c1(cc2c(ccc(-c3ccccc3C)c2)nc1Cl)CO	11
+Cc1ccccc1-c2cc3ccc(N)nc3cc2	11
+Cc1ccccc1-c2cc(ccc2)C(=O)N3Cc4cccn4Cc5c3cccc5	11
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OCC)-c4onc(C)c4Nc5nc(-c6ccccc6C)ccc5	119
+c1cc(ccc1-c2c(cccc2)C)C(Nc3ccc4nc(sc4c3)N(C)CCN(C)C)=O	134
+c1cc(ccc1-c2c(cccc2)C)-c3oc(C)c(CCOc4ccc(cc4)OC(C)(C)C(OCC)=O)n3	11
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(c(F)cc(c3)-c4c(cccc4)C)O2)C	11
+Cc1c(cccc1)-c2ncnc(Cl)c2[N+](=O)[O-]	198
+c1cc(ccc1)C2CCc3c4N2C(Nc4ccc3-c5c(C)onc5C)=O	10203
+C(=O)c1c(-c2c(ccc(c2)CC(OC)=O)OC)cc(cc1)OC	11
+O=Cc1ccc(OC)cc1-c2cnc(cc2)C(NCCC(OCC)=O)=O	89
+C(C)c1c(-c2c3N(C)C(=O)Nc3ccc2)cccc1	11
+c1c(-c2c(Cl)cc(c(N)c2)N)c(Cl)c(Cl)cc1	134
+c1cc(Cl)c(cc1Cl)-c2n3c(c(C)n2)c(nc4ccc(F)cc34)C	4978
+c1cc(ccc1)COc2nc3c(ncn3-c4c(Cl)cccc4Cl)cc2	10204
+Clc1c(cccn1)-c2ccnc(Cl)n2	10205
+COc1c(F)c(ccc1Br)-c2ncc(nc2)N	356
+n1cc(cnc1-c2ccc(c(F)c2F)OCc3ccccc3)Br	2294
+Clc1ccc(c(F)c1)-c2c(F)cncc2C(OC)=O	699
+Clc1cc(c(cc1)-c2cc(c(cc2)CC)[N+]([O-])=O)F	11
+n1cc(cnc1N)-c2ccc(cc2F)Cl	537
+c1(C)nc(Cl)nc(c1)-c2cc(OCC)ccc2F	198
+c1cc(ccc1)COc2ccc(c(c2F)-c3c(F)ccc(n3)C(=O)OC)F	119
+c1ccccc1COC(N2CCN(CC2C)Cc3cccc(-c4c(ccc(C#N)c4)F)c3)=O	11
+c1cc(ccc1-c2nc3ccc(-c4cc(ccc4F)C=O)cn3c2)Cl	89
+Nc1c(c(F)c(Cl)nc1)-c2cccnc2F	3103
+c1ccccc1C2CC(c3c(cc(c(-c4c(nccc4)F)c3)F)O2)=O	305
+c12c(cccc1)C(=O)N(C2=O)CCCCc3c4c5c(cccc5)nc(N)c4nn3CC	10206
+c1cc(N)c(cc1)-c2ncc(Cn3ccnc3)cc2	119
+c1ccc(c(c1)-n2nnnc2-c3c(-c4ccccc4N)cccc3)F	10207
+c1cc(c(cc1)-c2c(C)n(nc2C#N)CCCC)N	800
+n1(nc(c(-c2c(N)cccc2)c1C)C#N)C	800
+c1(Nc2cccc(CS(=NC(OCC)=O)(C)=O)c2)ncnc(n1)-c3cccc(Cl)c3OC	1582
+c1cc(ccc1-c2cc(c(F)cc2OC)F)O	134
+c1(ccc(cc1-c2c(cccc2)I)Br)OC	134
+c1(-c2c(cccc2)SC)nc3cc(cc(c3c(c1C)Cl)F)F	691
+c1cc(ccc1S(=O)(=O)OCC2Oc3c(cccc3C2)-c4c(c(ccc4)C)C)C	11
+COc1c(c(ccc1)O)F	2295
+c1ncncc1C2(c3c(c(ccc3)F)C(N)=N2)c4ccc(F)c(c4)-c5c(F)c(ccc5)OC	10208
+c1cc(ccc1-n2c(Cl)cc3c2c(O)c(c(O)n3)C#N)-c4cccc(OC)c4O	11
+c1(c(ccc(C(=O)O)c1)-c2nc3c(cc(OC)cc3)cc2)Cl	691
+c12c(cc(cc1)-c3cnc(F)cc3C)cnc(N)c2	305
+c1ccccc1CSc2ccc3c(c(nnc3c2)Br)-c4c(cc(c(c4)Cl)-c5cc(ccc5)F)OC	10209
+c1cc(ccc1OC)-c2cscc2-c3c(cc(cc3)C#N)C	1074
+Cc1ccc([N+]([O-])=O)cc1-c2ccc(C(=O)CC)cc2C	11
+Clc1ccc(c(Cl)c1)-c2cccc3c(n(C)nc23)C(=O)OC	1009
+Clc1ccc(c(Cl)c1)-c2cc(ccc2[N+]([O-])=O)F	11
+c1cc(ccc1)COc2nccc(-c3ccc(cc3Cl)Cl)c2[N+](=O)[O-]	699
+c1cc(ccc1)COC(N2CC(O)C(Nc3nc(CC)c(-c4ccc(OC)cc4Cl)nc3CC)C2)=O	356
+c1c(OC)ccc(-c2cnc(c(Br)c2CC)N)c1F	89
+c1cc(ccc1-c2sc(-c3ccc(cc3F)OC)cc2)C(O)=O	268
+c1cc(ccc1CO)Nc2cc(-c3c(ccc(Cl)c3)OCC)nc(N)n2	198
+c1cc(c(cc1)-c2cc(F)ccc2F)N	11
+c12cc3c(CC(C)C3=O)c(-c4cc(C)ccc4C)c1CCC2	11
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(O2)c(-c4c(C)ccc(C)c4)ccc3)C	11
+O(CC)C(c1cccc(-c2ccccc2-c3c(OC)ccc(Br)c3)n1)=O	119
+c1cccc(-c2ccc(CO)c(C)c2)c1Cl	11
+c1cc(ccc1Cl)C2=CC(=O)N(Cc3ccccc3)N=C2c4c(Cl)cccc4	4979
+c1cc(ccc1N2CCOc3nc(nc(N)c3C2=O)C)-c4c(Cl)cccc4	11
+c1cc(ccc1C(OCC)=O)-c2ccccc2Cl	11
+O=S(=O)(OCC1Oc2c(-c3ccccc3Cl)cc(cc2CC1)F)c4ccc(cc4)C	11
+c1cc(c(O)cc1)-c2ccccc2-c3nnnn3-c4c(F)cccc4	134
+n1c2c(c(Cl)cc1-c3ccccc3O)cccc2	691
+c1cc(ccc1-n2ccc3NC(=O)NC(c23)=O)-c4ccccc4O	11
+C1COCCN1c2cc(nc(-c3c(O)cccc3)c2)OCc4ccc(cc4)OC	140
+c1cccc(-c2ccc(cn2)C(=O)OC)c1O	140
+OB(O)c1c(-c2cc(ccc2)CC(N)=O)cccc1OC	3034
+c1cccc(-c2cc(cc(c2)C(=O)O)[N+]([O-])=O)c1OC	134
+c1cc(ccc1Cc2c(cccc2)OC)Br	10210
+c1cc(ccc1-c2ccccc2OC)S(=O)(=O)N3c4ccccc4Cn5c(C3)ccc5C(=O)NCc6cnccc6	11
+c1cc(ccc1OC)-c2c(-c3ccccc3OC)oc4ncnc(NCCCCCC(=O)OC)c24	1242
+c1cccc(-c2cnc(OCC(Nc3c(csc3)C(OC)=O)=O)cc2)c1OC	89
+c1cc(ccc1-c2c(cccc2OC)F)-n3ccc4NC(=O)NC(=O)c34	11
+Cc1ccccc1-c2c(Cl)cccc2OC	11
+c1cccc(-c2c(Cl)cccc2OC)c1Cl	11
+c1c(C)c(cnc1)-c2c(F)c(ncc2)C#N	3103
+c1cc(nc(-c2cc(ncc2Cl)F)c1)NCc3cc(ccc3)F	1238
+c1c(c(OC)nc(OC)n1)-c2cc3c(c(Cl)c(cn3)C(N)=O)cc2	10211
+O1CCOC1c2cnc(c(-c3nc(SC)nc(n3)C)c2)F	2234
+c1(c(nccc1)OC)-c2cc(-c3[nH]c(N)nc3)ccc2	305
+c1cc(ccc1)Oc2c(-c3c(nccc3)OC)cc(cc2)C#N	305
+O=C1c2c(cccc2)C(=O)N1C(c3ccc(cc3)-c4c(OC)nccc4)C	305
+C1CN(CCO1)c2cc(CNCc3ccccc3)nc(n2)-c4cccc5[nH]ccc45	3967
+c1cc(ccc1N2C(=NNC2=O)CC3CN(CC3)C(=O)C4CC4)-c5c6cc[nH]c6ccc5	4980
+n1c2cc(-c3c4cc[nH]c4ccc3)cc([N+]([O-])=O)c2cn1C5CCCCO5	10212
+c1cc(ccc1CC=2C(=O)N(C(C)=NC=2CCCC)c3cc(ccc3)Br)-c4ccccc4C#N	1778
+c1(cccc(c1)-c2ncccc2)Br	119
+c1c(cc(c(C)c1)-c2cc(Cl)nc(n2)N)Br	198
+c1(ccc(C=O)c(O)c1)-c2cccc(C#N)c2	11
+Cc1ccc(cc1-c2cc(ccc2)C#N)-c3nc4ccccc4o3	11
+c1(cc(ccc1)C#N)-c2ccc(cn2)C(=O)OC	140
+OB(O)c1cc(N)cc(c1)C(O)=O	0
+c1c(c(cc(-c2nc3c(ncnc3cc2)O)c1)C)OC	691
+O=Cc1cc(-c2ccnc(Cl)n2)ccc1F	198
+c1cc(ccc1-c2cc(CC)c(OC)cc2)C(=O)C	11
+c1(c(nccc1-c2cc(Cl)c(C(=O)OC)cc2)CC)C#Cc3cnc(cc3)N	699
+O=Cc1ccc(-c2n3c(nc2)ccc(NCCCC)n3)cc1F	1414
+n1cccnc1Nc2nc(cs2)-c3cn(Cc4ccc(cc4)OC)nc3-c5cc(ccc5OC)F	1624
+c1ccccc1COc2c(C=O)cc(cc2-c3c(ccc(F)c3)OC)C(OC)=O	11
+c1ccccc1CN2C(=O)C=C(C(c3ccccc3)=N2)C(n4nc(c5c(N)ncnc45)-c6cc(F)cc(O)c6)C	920
+c1(-n2c(cc(C)n2)C)nc(cc(NC(C)=O)n1)-c3cc(F)cc(O)c3	198
+c1c(OC)c(c(cc1-c2ccccc2C(=O)OC)OC)OC	11
+COc1cc(cc(OC)c1OC)-c2cc(ncn2)C	198
+O(c1cc(cc(OC)c1)-c2cc(C=O)c(cc2F)[N+](=O)[O-])C	11
+c1(cc(cc(OC)c1)-c2c(Cl)cc3c(c2)cnc(Cl)n3)OC	11
+COc1cc(cc(OC)c1)-c2cc3cnc(nc3cc2OC)Cl	11
+c12cc(-c3cc(ccc3)OC)cc(C)c1nc(nc2NC)-c4cnccc4	11
+Fc1c(C)ccc(c1)-c2cc(ccc2)OC	11
+c1cc(ccc1-c2c(sc(Cc3c(-c4cccc(OC)c4)cccc3)n2)CC(O)=O)F	11
+c1cc(ccc1OCc2c(oc(c2)C(=O)O)C)-c3cc(ccc3)OC	134
+c1ccccc1-n2cnc3cc(C#N)cc(-c4cccc(c4)OC)c23	10213
+c1(ccc(-c2cc(OC)ccc2F)c(Cl)n1)C(=O)OC	89
+Fc1c(Cl)ccc(c1)-c2ccc(c(CC(O)=O)c2)C	11
+C(O)Cc1cc(c(Oc2cc(F)c(Cl)cc2)cc1)F	472
+CC(C)(c1ccc(cc1)Cl)C=C(Cc2ccc(c(c2)Oc3ccccc3)F)F	10214
+c1cc(ccn1)-c2cc(c(OC)cc2)C=O	835
+c1cc(ccc1-c2c(C(NC)=O)c3cc(-c4cc(c(F)cc4)C(O)=O)c(Cl)nc3o2)F	89
+Clc1nc(nc(-c2ccc(c(OC)c2)OC)c1)N	198
+O(C)c1c(OC)ccc(c1)-c2cc(c(cc2)C#N)F	11
+c1cc(ccc1C(C(=O)Nc2c(nccc2)-c3ccc(OC)c(OC)c3)O)C	140
+c1(-c2ccc(OC)c(OC)c2)sc3nccn3n1	4944
+c1(cc(c(c(-c2c(N)nccn2)c1)Cl)Cl)Cl	696
+c1cc(ccc1)-c2nc(nnc2-c3cc(OC)cc(Cl)c3)N	3134
+OB(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1	77
+c1(cc(cc(c1OC)-c2cc(C(=O)O)ccc2)F)[N+]([O-])=O	11
+O=C(O)c1cccc(-c2cccc(C(=O)OC)c2)c1	11
+c1c(C(=O)O)cccc1-c2c3c(ccc2N)cccc3	11
+n1c(c2c(cccc2)c(n1)O)Cc3cc(c(cc3)F)-c4cccc(c4)C(O)=O	11
+c1cc(ccc1-c2nc3n(cc(cc3)-c4cc(C(O)=O)ccc4)c2C(=O)NC)F	89
+c1(C(c2ccccc2C)CC(c3cc(C)ncc3)=O)cccc(-c4cccc(c4)C(O)=O)c1	11
+c1(CO)cccc(-c2nc(C(Nc3c(c(ncc3C)C(=O)OCC)C)=O)c(cc2)C)c1	140
+n1c(ccc(-c2cc(CO)ccc2)c1)N	89
+c1nc(ncc1)-c2cc(CO)ccc2	2294
+c1cc(cc(c1)F)-n2c(C(OC)=O)c(c3ccccc23)C#N	1194
+c1(OC)cc(cc(-c2cc(F)ccc2)c1)C(=O)OC	11
+c1cc(-n2c(cc3c(Cl)cccc23)C(N(C)OC)=O)cc(c1)F	1194
+c1c(OC)ccc2c(ccnc12)OCc3nnc4n3nc(-c5cc(F)ccc5)cc4	519
+O=Cc1c(F)ccc(c1)-c2cc(ccc2)F	11
+c1(c(ccc(c1)-c2cc(ccc2)F)F)C(=O)O	11
+c1cc(cc(c1)-c2ccc3CCCC(=O)c3c2)F	11
+C1(CCc2c1cc(cc2)-c3cc(ccc3)F)=O	11
+c1cc(ccc1)S(=O)(=O)n2ccc3c(c(cnc23)-c4cc(F)ccc4)Cl	89
+c1cc(ccc1-c2cc(F)ccc2)C(CCC(OC)=O)=O	11
+C1c2c(NC(=O)C1)ccc(c2)-c3cc(ccc3)F	11
+n1cc(-c2cc(F)ccc2)nc(c1)N	696
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4c3cc(-c5cc(ccc5CO)F)cc4)N	134
+Clc1cc(c(cc1)F)-c2cncc(c2)NC(C(=O)N)c3c(cccc3)Cl	89
+Clc1ccc(c(c1)-c2cc3C4(c5cc(cnc5Oc3cc2)OCC(=O)C)N=C(N)OC4)F	11
+c1cc(ccc1C)C(C(N)=O)Nc2cncc(-c3c(F)ccc(Cl)c3)c2	89
+c1c(I)cc(c(F)c1)O	2295
+c1ccccc1COc2ccc(c(C=O)c2)-c3cc(ccc3OC)C(C)C	11
+c1(c(cc(Br)c(OC)c1)OC)-c2cc(ccc2OC)OC	11
+c1(cc(c(cc1)OC)-c2cccc3c(c(C(NCCCC)=O)nnc23)N)OC	1009
+O=S(=O)(C)c1cncc(-c2ccc3n(cc(n3)NC(C)=O)n2)c1	2512
+O=S(=O)(C)c1cncc(-c2c3c(n(n2)C)nc(nc3)N)c1	10215
+c1c(C)cc(C)c(-c2cc(ncc2Cl)Cl)n1	1238
+C(c1c(cccc1)F)(=O)Nc2nc(c(cc2)-c3cc(nn3C)-c4ccco4)N	10216
+C(N1C(c2c(C(=C1)C(=O)OC)cc(c(c2)OC)O)=O)C	2295
+CC1(C)OC(Nc2ccc(cc12)-c3cc(cc(c3)F)Br)=O	11
+c1cc(ccc1CC=2C(=O)N(C(C)=NC=2CCCC)c3ccc4OCCc4c3)-c5ccccc5C#N	1778
+c12cc(ccc1CC(=O)CC2)-c3ccc4OCOc4c3	11
+c1(F)cc(cc(F)c1)-c2cc(nc3c(c(nn23)C)-c4ccc5OCOc5c4)N6CCCC6CO	3003
+c1cc(ccc1CC#N)-n2c3c(nc2)cnc4c3cc(cc4)-c5ccc6OCOc6c5	11
+c1cc(ccc1COc2cc(-c3ccc4OCOc4c3)cc(Nc5cccnc5)c2)OC	11
+c1c(cc2ccc(Br)cc2c1)-c3cc4ccccc4c5ccccc35	11
+c1cc(ccc1Br)-c2c3ccccc3c4c(cccc4)c2	134
+c1ccccc1C(CC)C(Nc2ccc(-c3ccc4cc(OCC)ccc4c3)c(C(N)=O)c2)=O	134
+c1cc(ccc1)-c2nc(nnc2-c3cc4ccoc4cc3)N	3134
+c1cc(ccc1-c2cc3c([nH]cc3)cc2)C#N	11
+c1cc(ccc1-c2ccc(nc2F)-c3ccc(cc3)CCCCCCCCC)CCCCC	305
+c1cc(ccc1NC#N)-c2ccc(C#N)n2C	3730
+c1cc(ccc1Br)-c2ccc(C(C)=O)s2	1373
+C(c1sc(cc1)-c2c3nc(ccc3cnc2)C(NCc4occc4)=O)(=O)O	10217
+Cc1cc(c(-c2c3c([nH]cc3)ncc2)cc1)C	3032
+c1([N+]([O-])=O)cccc(-c2ccc(C)cc2C)c1C(=O)OC	667
+C1C(CC1)c2ccc(-c3cc4[nH]cnc4nc3)c(c2OC)F	1151
+c1(cc2c(cc1OC)n(-c3nc(-c4cc(Cl)c(Cl)cc4)c(C(OC)=O)s3)cn2)OC	10218
+c1ccccc1[Si](c2ccccc2)(OCCC(=C)c3ccc(c(c3)Cl)Cl)C(C)(C)C	10219
+c1cc(ccc1C(Nc2c(Cl)ccc(B(O)O)c2)=O)OCc3ccccn3	67
+c1ccccc1NC(c2cc(ccc2F)-c3c(ncn3C)-c4nccc(C#N)c4)=O	1234
+c1(cc(-c2nc(CC)[nH]c2)ccc1F)C	1234
+C(CCCCC)Oc1c(F)c(-c2ncccc2)ccc1F	119
+n1cccc(C(=O)OC)c1-c2ccc(cc2F)F	140
+O=Cc1ccc(-c2ccc(cc2F)F)c(F)c1F	11
+Fc1cc(ccc1-c2c(C(C)=O)cccc2)F	11
+c1c(ccc(-c2nnc(N)nc2)c1F)F	3134
+c1c(ccc(c1F)-c2cncc3c2cc(cn3)C(=O)N)F	1151
+n1c(-c2cc(c(cc2)OC)F)c(C)ccc1	119
+c1c(OC)c(cc(-c2c3cc(NC(C)=O)cnc3n(C)n2)c1)F	4981
+c1cc(ccc1)N(c2cc(nn3c2ncc3)-c4cc(c(cc4)F)C#N)Cc5ccc(cc5)OC	519
+c1cc(ccc1F)C(C)(C)CNc2nnc(-c3ccc(c(c3)C#N)F)cc2	519
+c1cc(ccc1F)C(C)(C)CNc2ncc(cn2)-c3cc(C#N)c(F)cc3	537
+CC(C)COc1c(cc(-c2c(Br)c(c(C(OC)=O)s2)F)cc1)C#N	268
+c1c(-c2cc(C)c(cc2)C)ncc(N)n1	356
+N#Cc1c(cc(-c2cccc3c2CCCC3=O)cc1)F	11
+c1cc(ccc1)Nc2nc(N)nc(c2)-c3ccc(c(c3)F)C#N	198
+c1nc(ncc1-c2c(F)c(c(CCCCCCCC)cc2)F)-c3ccc(OCCCCCC)nc3	537
+c1c(c(c(c(O)c1)F)F)CCCCCCCCC	2295
+O1CCOC1CCc2ccc(cc2)-c3c(F)c(c(cc3)OCC)F	11
+c1cc(ccc1CCCC)-c2ccc(cc2)-c3c(F)c(c(C#Cc4ccc(cc4)CCCC)cc3)CCC	134
+c1cc(ccc1CCCCCCCCC)-c2cccc(F)n2	119
+c1cc(ccc1NS(=O)(=O)C)-c2nnc(Cl)cc2	519
+c1cc(ccc1-c2cc(F)ccc2)O	134
+c1cc(ccc1O)-c2cc3ccc(nc3cc2)C(=O)OCC	11
+c1cc(ccc1-c2nc(C(=O)OC)ccc2)O	119
+c1cc(ccc1O)-c2cc3ccc(N)cc3cc2	11
+c1cc(ccc1O)-c2nc(Cl)cnc2	696
+c1cc(ccc1O)-c2c(c(-c3c(cc(cc3)OC)F)cnc2N)CC	89
+c1cc(ccc1O)-c2cc3C(=O)C=C(Oc3cc2)C(OCC)=O	134
+c1cc(ccc1O)-c2cc3nccc(Oc4ccc([N+]([O-])=O)cc4F)c3s2	4982
+c1cc(ccc1OCc2cn3c(cc2)nc(n3)-c4ccc(cc4)O)C(CC(=O)OCC)C#CC	4983
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(nc4)c(C)c(cc5)-c6ccc(cc6)O	495
+c1cc(ccc1-c2ccc(C#N)cn2)O	119
+c1cc(ccc1-c2c3n(nc2C)c(cc(N4CCCC4CO)n3)-c5cc(F)c(F)cc5)OC	3003
+c1cc(ccc1-c2ccccc2[N+]([O-])=O)OC	134
+c1cc(ccc1-c2cnc(C(OC)=O)cc2C)OC	89
+c1cc(ccc1OC)-c2cc(ccc2N)CCC	134
+c1cc(ccc1-c2cc(ccc2OC)C=O)OC	11
+c1cc(ccc1OC)-c2sc(C(=O)OC)c(C)c2C	268
+c1cc(ccc1-c2cn(-c3ccnc(SC)n3)c4c2ccc(-c5cc(ccc5)[N+]([O-])=O)c4)OC	550
+c1cc(ccc1-c2c3ccc(-c4cc(ccc4)[N+]([O-])=O)cc3n(-c5cc(NC)ncn5)c2)OC	550
+c1cc(ccc1-c2ccc3c(cc(C(=O)OCC)[nH]3)c2)OC	11
+c1cc(ccc1OC)-c2ccc(c(F)c2)Br	134
+c1cc(ccc1OC)-c2ccc3n(c(c(c3c2)C)-c4ccccc4)C	11
+c1cc(ccc1-c2ccc3c(c2)c(CCCCC)c(n3C)-c4ccccc4)OC	11
+c1cc(ccc1-c2c3c(ccc2)n(c(c3C)-c4ccccc4)Cc5ccccc5)OC	495
+c1cc(ccc1OC)-c2cc3c(n(Cc4ccccc4)c(C)c3C)cc2	11
+c1cc(ccc1OC)N2C(C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)N=C2CC)=O	1778
+C1CC1C(=O)N2CC(CC2)CC3=NNC(N3c4ccc(cc4)-c5ccc(cc5)OC)=O	11
+c1cc(ccc1Oc2c(cc(N)c(C)c2)C)-c3ccc(cc3)OC	11
+c1cc(ccc1S(=O)(=O)Nc2cc(no2)C)-c3ccc(cc3)OC	11
+c1cc(ccc1-c2ccc(cc2)OC)C(OCC)=O	11
+c1cc(ccc1-c2ccc(cc2)C=Cc3[nH]c(cn3)-c4ccc(Cl)cc4Cl)OC	11
+c1cc(ccc1-c2[nH]c(nc2-c3ccncc3)-c4ccc(cc4)Cl)-c5ccc(cc5)OC	11
+c1cc(ccc1OC)-c2ccc(cc2)-c3nc(CCOc4ccc(cc4)OC(C)(C)C(=O)OCC)c(C)o3	11
+c1cc(ccc1OC)-c2c3c(cccc3)c(Br)cc2	134
+c1cc(ccc1-c2c3c(n(C)c(-c4ccccc4)c3C)ccc2)OC	495
+c1cc(ccc1OC)-c2ccc(cc2)C(c3ccccc3)C(OC)=O	11
+c1ccccc1COc2cc(cc3c(cc(nc23)C(OC)=O)O)-c4ccc(cc4)OC	11
+c1cc(ccc1)Cc2c3cc(ccc3n(C)c2C)-c4ccc(cc4)OC	11
+c1cc(ccc1-c2cn(c3cc(ccc23)-c4cc(ccc4)[N+]([O-])=O)-c5ccncc5)OC	550
+c1cc(ccc1-c2c(C)ccc(C(NC)=O)c2)OC(C(O)CCc3cnccc3)C	11
+c1cc(ccc1CC(O)=O)-c2ccc(cc2)OC(C)C(CCc3cnccc3)O	11
+c1cc(ccc1OC(C)C)-c2cc(Cl)cc(n2)Cl	140
+CC(C)Oc1ccc(cc1)-c2cc3cc(C(=O)OCC)[nH]c3cc2	11
+c1cc(ccc1-c2ccccc2C#N)CC=3C(N(c4ccc(cc4)OC(C)C)C=NC=3CCC)=O	10220
+c1cc(ccc1OCC2CC2)-c3cc(NC(Cc4ccccc4)C(OC)=O)ncn3	198
+O=S(=O)(C)c1ccc(cc1)-c2cc(ccc2F)-c3cn[nH]c3-c4nc(ccc4)C	11
+c1cc(ccc1-c2ccc3c(cnnc3c2)O)S(=O)(=O)C	495
+c1cc(ccc1S(=O)(=O)C)-c2ccc3cnc(SC)nn23	10221
+c1cc(ccc1-c2cnc3c(N(Cc4ccccc4)C(=O)CN3)c2)S(=O)(=O)C	796
+c1cc(ccc1-c2ccc3c(c(C(=O)OCC)n(c3c2)Cc4cccc(Cl)c4)NC(=O)c5ccc(cc5)Cl)S(=O)(=O)C	495
+c1cc(ccc1C)S(=O)(=O)N2CC(N(C(C)=O)c3cnc(cc23)-c4ccc(cc4)S(=O)(=O)C)C	119
+c1cc(ccc1)CN2CCC(CC2)COc3ccc(-c4ccc(cc4)S(=O)(=O)C)cn3	89
+c1ccccc1COC2CC(CCC2)Oc3c(cc(cc3F)-c4ccc(cc4)S(=O)(=O)C)F	11
+c1cc(ccc1)Oc2c(ccc3c2CCC(C)N3C(C)=O)-c4ccc(cc4)S(=O)(=O)C	11
+C1CC(CCC1Oc2c(F)cc(cc2F)-c3ccc(cc3)S(=O)(=O)C)Oc4ncc(cn4)CC	11
+c1cc(ccc1S(=O)(=O)C)-c2cccn3nc(N)nc23	1805
+CC(C)S(=O)(=O)c1ccc(cc1)-c2ncc(nc2)N	356
+c1cc(ccc1-c2cc(ccc2OC)-c3n(c(cc3C)C(OC)=O)C)S(=O)(=O)N	11
+c1cc(ccc1S(=O)(=O)N)-c2cc(-c3c(C)c(c(s3)C(OC)=O)C)ccc2OC	11
+c1cc(ccc1S(=O)(=O)NC)-c2cnn3ccc(C(=O)N(c4ncc(C#N)cc4)CC)cc23	4785
+c1cc(ccc1SC)-c2cccc(C=CC(N(OC)C)=O)c2	11
+c1cc(ccc1N2N=CC(=C(OC)C2=O)c3ccc(cc3)SC)F	10222
+c1cc(ccc1)COCN2C(=O)C(=C(N(C)C2=O)c3ccc(cc3C)OCOC)C	4580
+c1ccccc1COc2cc(c(cc2)-c3nc(ccc3)-n4c(ccc4C)C)C5CC5	119
+C1CCC(C1)c2cc(OCc3ccccc3)ccc2-c4nc(ccc4)-n5c(ccc5C)C	119
+c1(F)c(c(Cl)ccc1)-c2cc3c([nH]2)ccc(-c4ccc(OC)cc4OC)c3	11
+Clc1c(-c2cnc(C)cc2)ncc(c1)C(=O)OC	3081
+n1cc(cnc1CCCCCCCC)-c2ccc(cc2)-c3cc4CC(Cc4cc3)CCCCCCCC	11
+c1c(ccc2c1OCCO2)-c3n4c(cc(c3)C)nc(N)n4	10223
+c1(N)cnc(-c2cc3cnn(C)c3cc2)cc1	119
+C1CC2(CCN1S(=O)(=O)c3ccc(cc3)-c4ccc5cccnc5c4)OCC(=O)N(C2)C6CC6	4980
+c1ccnc(c1)-c2c(OC)ccc(-c3cc4c(cccc4)cc3)c2OC	11
+c1cc2ccccc2cc1-c3cc(ccc3)Br	134
+c1cc(ccc1CC2=C(N=C(N(C2=O)c3cccc(C(C)=O)c3)C)CCCC)-c4ccccc4C#N	1778
+C(C)OC(=O)c1cccc(c1)-c2ccc([N+]([O-])=O)cn2	140
+c1cc(ccc1-c2cccc(C)c2)C(=O)OCC	11
+c1ccccc1COc2c3nc(cc(O)c3cc(-c4cccc(C)c4)c2)C(OC)=O	11
+c1cc(ccn1)-c2nc(NCC(N)Cc3ccccc3)ccc2-c4cccc(C)c4	89
+c1(cc(cc(C)c1-c2cc(ccc2)C=O)O)C	11
+c1cc(ccc1)Cn2ncc(c2)C(=O)Nc3c4c(n(S(=O)(=O)c5ccc(cc5)C)c3)ncc(c4)-c6cccc(C=O)c6	89
+c1(cc(-c2ccnc(Cl)n2)ccc1)C=O	198
+c1(cc(-c2scc(Cl)n2)ccc1)C=O	10224
+c1c(CCO)cc(cc1)C=2C=CC(=O)N(Cc3cc(C(=O)OC)ccc3)N=2	4979
+Clc1cccc(-c2c(F)cccc2OC)c1	11
+Clc1cccc(c1)-c2c(ccc(CO)c2F)OC	11
+Clc1cccc(c1)Oc2cc(OC)ccc2C3CN(C(=O)C3)c4cccc(C(=O)N)c4	472
+Clc1cccc(c1)-c2c(ccc(n2)C(=O)O)OC	119
+Clc1cccc(c1)-c2c(ccc(C)n2)OC	119
+c1ccccc1Cn2ccc3c2cc(-c4cc(Cl)ccc4)cc3	495
+c1nc(ncc1OCC)-c2cc(Cl)ccc2	345
+n1cc(cnc1-c2cc(Cl)ccc2)OCCOC	345
+Clc1cccc(-c2n3c(nc2)ccc(Cl)n3)c1	1414
+c1nc(ncc1)-c2cc(Cl)ccc2	345
+Clc1cccc(c1)-c2c(ncn2C)-c3cc(C#N)ccn3	1234
+O(c1cccc(NC(C)=O)c1)c2cnc(cc2)Cl	10225
+c1ccccc1-n2cnc3c2c(cc(C#N)c3)-c4cc(ccc4)NC(C)=O	4745
+c1cc(ccc1Cl)CN2C(N(c3cc(NC(C)=O)ccc3)N=C(Br)C2=O)=O	4984
+c1(c[nH]c2c1c(ncn2)-c3cc([N+]([O-])=O)ccc3)C(=O)OCC	10226
+c1c(c2c(sc(NC(c3sc(C)cc3)=O)n2)c(c1)-c4cc([N+]([O-])=O)ccc4)OC	10227
+c1cc2c([nH]1)cc(cc2)-c3cc(ccc3)[N+]([O-])=O	495
+c1(OC)c(Br)cc(cc1-c2cc([N+]([O-])=O)ccc2)CCN3C=CC=CC3=O	3022
+c1cc(ccc1C(=O)OCC)-c2ccc(OC)c(-c3cc(ccc3)[N+]([O-])=O)c2	11
+c1cc(ccc1Cc2cc(c3c(CCO3)c2)-c4cc([N+](=O)[O-])ccc4)F	11
+c1(-c2cc([N+]([O-])=O)ccc2)ccnc(Cl)n1	198
+c1c(N)cc(-c2c3nc(Cl)nc(c3sc2)N)cc1	4680
+c12cc(ccc1nc[nH]2)Nc3nc(-c4cc(ccc4)N)cn5ccnc35	356
+n1c(c2c(cccc2)c(n1)O)Cc3cc(c(cc3)F)-c4cc(N)ccc4	11
+c1cc(-c2cc(ccc2)N)ncc1Br	3342
+C1CN(CCN1C)c2ccc(cc2)Nc3ncc4cccc(c4n3)-c5cccc(N)c5	1009
+OB(O)c1cc(ccc1)NC(=O)Nc2ccc(cc2)Cl	124
+C1CN(CCN1c2ccc(cc2)Nc3ncc4cccc(c4n3)-c5cccc(N)c5)C(O)C	1009
+c1cc(ccc1-c2cccc(N)c2)S(=O)(=O)NC	11
+c1ccccc1Nc2c3nccn3cc(-c4cccc(c4)N)n2	356
+c1c(N)cc(-c2ccc3n(cc(NC(C)=O)n3)n2)cc1	519
+c1cc(ccc1OC)-c2cc(O)ccc2	134
+c1cc(ccc1OC)COC=2C(N(C(c3cc(O)ccc3)=NC=2)C)=O	10228
+c1(-c2nc(NC3COCC3)c(c(Cl)n2)C)cc(ccc1)O	345
+n1cc(-c2cc(ccc2)O)cc(NC(c3cc(OC)c(C)cc3)=O)c1	89
+[N+]([O-])(=O)c1c(ccc(-c2cc(OCC)ccc2)c1)F	11
+c1cc(ccc1-c2cc(OCC)ccc2)C=O	11
+n1cc(cnc1-c2cc(ccc2)OCC)C(=O)O	345
+n1c(ccc(F)c1-c2c(c(ccc2)F)F)C(=O)O	119
+c1(sc(-c2c3ccccc3ccc2)c(C)n1)C(=O)OCC	2713
+c1cc(ccc1NC(=O)Nc2c(OCCC)c(cc(-c3c(cccc3)-c4nnn[nH]4)c2)C(c5ccccc5)C=C)C	11
+c1cc(ccc1Cl)CN2C(=O)C(Br)=NN(c3c(CO)cccc3)C2=O	4984
+Fc1ccccc1Nc2c(c(cnc2)-c3c(F)cccc3)C(=O)OC	89
+c1c(c(ccc1)F)-c2ncc(cc2)[N+]([O-])=O	119
+c12c(c(c(cc1c3cc(C#N)ccc3o2)F)O)-c4c(cccc4)F	10229
+n1c(NC(CC)C)cc(C(=O)OC)cc1-c2ccccc2F	140
+c1c(c(ccc1)F)-c2nc(c(cc2)[N+]([O-])=O)N	140
+c1cc(ccc1OC)-c2c3c(oc2-c4ccccc4F)ncnc3NCCCCCC(=O)OC	1242
+c1cc(ccc1C)S(=O)(=O)n2c3c(c(-c4c(cccc4)F)c2)cc(-c5cc(C(N6CCOCC6)=O)ccc5)cn3	10230
+C1CCCN1C(=O)Cn2nc(-c3c(cccc3)F)c4c(Cl)c(-c5ccccc5)nnc24	4981
+c1nc(ncc1-c2c(cccc2)F)-n3cc(c4c3cc(C(=O)OC)cc4)SC	537
+c1cnccc1-c2ccccc2[N+](=O)[O-]	835
+Clc1cc2ncc(-c3cc(Cl)ncc3)n2cc1	10231
+CC(=O)c1cccc(c1)-c2ccnc(Cl)c2	498
+c1cc(ccc1-c2ccnc(c2)C)CNc3nccc4cc(ncc34)-c5cc(C)ncc5	1299
+c1cc(ccc1-c2ccnc(C)c2)CN	498
+c1c(nc2ccnc(Cl)c2c1)-c3cc(ncc3)C	10232
+C(c1cc(C)c(-c2cc(F)ncc2)nc1)C(=O)O	1299
+n1c(cc(-c2nc(ccc2)-c3cnc4ccc(nn34)N5CCCC5c6cc(ccc6)F)cc1)F	1238
+Clc1c(-c2c(-c3cc(F)ccc3)nc(cn2)N)ccnc1	3712
+c1([N+]([O-])=O)ccc(Cl)c(-c2c(cncc2)F)c1	498
+c1cc(ccc1)S(=O)(=O)Cc2ccc(c(O)c2C(OCC)=O)-c3ccoc3	1628
+c1c(cc(-c2ccsc2)cc1F)Br	1384
+O(CC)c1cc(-c2cscc2)cc(OCCCCCCc3cccc(c3CCC(OCC)=O)OCCCC(=O)OCC)c1	1384
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(-c3ccsc3)cc(C(C)=O)c2	1384
+O=S(=O)(C)c1cc2[nH]c(-c3ccc(cc3)-c4cscc4)nc2cc1	1384
+c1cc(ccc1CC(O)=O)-c2cscc2	1384
+c1cc(ccc1C#N)-c2ccc(nc2)F	305
+n1c(OC)ccc(c1)-c2sccc2C	10233
+n1cc(cnc1-c2cnc(OCCCCCC)cc2)Br	10234
+c1nc(ncc1-c2ccc(OCCCCCCCC)nc2)-c3ccc(c(F)c3F)OCc4ccccc4	4985
+c12c(NC(CC)C=3N=C4N(C(=CC=C4)C)C(=O)C=3c5cc(F)cnc5)ncnc1nc[nH]2	10235
+n1cc(-c2cc3c(n[nH]c3cc2)C(Nc4cccnc4)=O)cc(F)c1	305
+c1cc(ccc1O)CCNc2c3c(n(C(C)C)cn3)cc(-c4cc(F)cnc4)n2	10236
+c1ccccc1-c2ccc(Cc3cncc4ccccc34)cn2	10237
+c1(C)c([N+]([O-])=O)cnc(-c2cnccc2)c1	4787
+c1(C2=NN(Cc3cc(ccc3)C(=O)OC)C(=O)C=C2C)cnccc1	10238
+c1(C=O)cc(-c2cnccc2)c(cc1)CC	305
+C1CC(CCN1c2c(cncc2Cl)-c3cccnc3)C(N)=O	10239
+C1CCCC(n2c3ccc(-c4cnccc4)cc3c(C(=O)OC)n2)O1	305
+c1(-c2cnccc2)ccc([N+]([O-])=O)c(N)n1	3081
+c1cc(ccc1)C(N2CCNc3ncc(-c4cnccc4)cc23)=O	4763
+c1cc(ccc1-c2cccnc2)-c3[nH]c4c(ccc(S(=O)(=O)C)c4)n3	305
+c1cc(ccc1OCCc2nc(-c3ccc(cc3)-c4cccnc4)oc2C)OC(C)(C)C(OCC)=O	305
+O=C1N(C)c2ccc(-c3cc(cnc3)-c4cnccc4)cc2C1	1168
+n1cc(cnc1N2CCc3c4ccccc4[nH]c3C2c5ccc6c(OCO6)c5)-c7cccnc7	4985
+n1cc(cnc1)-c2cc(C3(c4c(C(N)=N3)nccc4)c5cc(OCCCF)ncc5)ccc2	10240
+n1cc(cnc1)-c2cc3c(C=C(C(OCC)=O)CC(=N3)N)cc2	10241
+c1cc(ccc1NC(c2cc(c(nc2)Cl)-c3cncnc3)=O)OC(F)(F)Cl	10242
+n1cc(cnc1)-c2nccc(Nc3cc([N+](=O)[O-])ccc3C)n2	10243
+c1c(-c2cc3ccccc3o2)ccc4cc(OC)ccc14	3062
+C=CCN(CC=C)S(=O)(=O)c1cnccc1NS(=O)(=O)C=Cc2ccc(cc2)-c3cc4ccccc4o3	3062
+N#Cc1cncc(-c2cc3ccccc3o2)c1Nc4ccc5[nH]ccc5c4C	10244
+c12c(nnc(c1c(N)ccc2)O)Cc3ccc(F)c(c3)-c4occc4	1752
+c1cc(N)c(cc1)-c2ccco2	1752
+c1cc(ccc1)CN2CCC(CC2)Nc3c(cnc(NCc4ccccn4)n3)-c5ccco5	10245
+c1cc(ccc1C(=O)N(C(C)C)Cc2ccccc2O)-c3occc3	1752
+c1ncn(c1)Cc2cnc(cc2)-c3sc4c(cccc4)c3	10246
+c1(ccc2cc(ccc2c1Br)-c3sc4c(cccc4)c3)OCC#N	2187
+c1(ccc2cc(ccc2c1Br)-c3sc4c(cccc4)c3)OCC(=O)OCC	2187
+N=1C(=CC(=O)N(C=1N)C)CCc2cccc(-c3cccs3)c2	809
+C1c2c(C(=O)N1C)ccc(-c3cccs3)c2	809
+Nc1cc(-c2cccs2)ccc1[N+]([O-])=O	809
+c1c(CCCCC)c(cc(-c2cccs2)c1)F	809
+c1cc(ccc1C(CC2CCCC2)C(=O)Nc3sccn3)-c4sccc4	809
+c1cc(ccc1O)CNc2c(ncc(n2)-c3cccs3)N	10247
+c1cc(ccc1OC)-c2sccc2	809
+O=S(=O)(c1ccc(cc1)-c2cccs2)Nc3c(OC)ccc(c3)Br	1373
+c1cc(c2c(c1)C(=O)C(C)C2)-c3ccccn3	214
+Brc1c(Br)cc2c(c1)NC(=O)C(=O)N2	2966
+C(C1C(CCCC1)C(NCC#N)=O)O	21
+c1(F)c(cc(c(Br)c1)F)CCC(=O)O	159
+c1cc(CCC(=O)O)cc(C)c1C	159
+c1cc(ccc1Cl)-c2c(OCCCCC(=O)O)ncc(c2)C(=O)NC3CCCCC3O	10248
+c1cc(ccc1)COC(CN(CC2CCCCC2)C(c3cc4c(cccc4)cc3N)=O)=O	3257
+c1ccccc1CN(C(=O)c2c(N)cc3c(cccc3)c2)CCC(OCC)=O	30
+c12ccsc1c3c(cn2)nc(C(C)O)n3C4COCCC4	10249
+C(CC)(CC(C(N)=O)=O)C([N+]([O-])=O)C	1363
+c1cc2-c3c(cccc3)C(NC(=O)C(O)C)C(=O)Nc2cc1	207
+n1c(nc(cc1NCC(O)C(OC)=O)C(=O)N)Cl	40
+[N-]=[N+]=Nc1cc(O)c(cc1)C(=O)NC(C(C)O)C(=O)NCC	1007
+CC(C)CC(C(O)CCC)C(=O)OC	2616
+c1cc(ccc1Cc2ccc(cc2)CN3CCOCC3)C(=O)NC(C(=O)OC)C(O)C	259
+c1ccccc1COC(=O)N2CCCC2(Cc3ccccc3)C(NC(C(OC)=O)C(C)O)=O	188
+c1ccccc1COc2c(C(=O)NC(C(OC)=O)C(O)C)ccc([N+]([O-])=O)c2	3401
+O=C(O)C(C(C)O)Nc1ccc(C#N)c(Cl)c1C	945
+N(c1cc(Cl)c(cc1)C#N)C(C(C)O)C(=O)O	945
+c1ccccc1CCCOC(=O)NC(C(O)=O)C(O)C	544
+c1cc(ccc1)CNC(CC)C(O)C	42
+c1(cc(F)c(cc1)F)C(N)C(C)O	840
+c1cc(ncc1Br)C2=NOC(CNC(C)=O)C2	10250
+c1ccccc1COCCCCCCCCCCCSC(=O)C	4157
+c1nc(n2c1cncc2)CCSC(=O)C	4893
+c1cc(ccc1-c2noc(C(C)O)c2)F	1814
+C(C)(O)C#Cc1n2c(nc1)ccc(Br)n2	10251
+c1ccccc1COC=2C(=O)C=C(OC=2C(O)C)C	3130
+c1ccccc1COC2=C(C(O)C)OC=CC2=O	3130
+C(CCO)CCC(O)C	21
+c1(cc(ccc1O)Nc2c3c(cccc3OC(CN)C)ncn2)Cl	1111
+c1c(Br)cc2CN(C(c2c1)=O)CC(O)C	10252
+c1cc(ccc1Cl)CCNCC(O)C	132
+c1cc(ccc1F)-c2nc(SC)n(C)c2-c3cc(ncc3)NCC(O)C	182
+c1cc(ccc1F)Cc2cnc3C(O)=C(C(=O)N(CC)c3c2)C(=O)NCC(O)C	1112
+c1cc(ccc1)-c2c3c(cn2CC(C)O)N(C)C(N(C3=O)C)=O	10253
+C1(c2c(C(=O)N1C(C)C3=C(Br)C(N4C(C)=CC=CC4=N3)=O)cccc2)=O	4798
+o1nc(cc1-c2cc(CCC(=O)C)ccc2)C(=O)OC	10254
+c1cccc(CC(OC)=O)c1OC(C=C)CC	10255
+c1cc(ccn1)C(Cn2c3c(c4cc(ccc24)C)CN(CC(O)C)CC3)O	28
+c1(cc(cc(I)c1O)C(=O)c2c(CCC(=O)OC(CC)C)oc3c2cccc3)I	27
+c1ccccc1COC(NCCC(=O)NCC(O)CC)=O	9
+n1cc(OC)cc(c1)C=CCC(O)C	1514
+CCCCC(=O)CC=CI	10256
+N(CC(O)CCC)c1nc(N)nc2CCCCc12	40
+CCCCC(=O)C#CC	10257
+c1cc(ccc1C)S(=O)(=O)OCCC(C)O	36
+s1cc(CCC=O)nc1	1156
+c1ccccc1C(=O)OC2C(CN(CC(O)CC#N)CC2)F	53
+OC(CN(CC(O)=O)CCNCC(=O)O)=O	3
+c1cc(ccc1-c2cncc(C#N)c2)C(C)(C)C(=O)NCC(c3occc3)O	9
+c1cc(ccc1Cl)CNC(C=2C(c3cc(CN(CC(c4cccn4C)O)C)sc3N(C=2)C)=O)=O	822
+c1cc(ccc1Cl)CNC(=O)C=2C(=O)c3sc(CN(C)CC(c4occc4)O)cc3N(CC(=O)N(C)OC)C=2	822
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(sc(CN(CC(c4occc4)O)C)c3)N(CC)C=2)=O	822
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(O)CC(OCC)=O	604
+c1cc(ccc1Br)OCC(O)CO	72
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(C(NCC(CO)O)=O)cnn14	1339
+c1cc(ccc1Br)OCc2csc3c(C(=O)NCC(CO)O)cnc(N)c23	2443
+c1c2c(ccc1)nc3c(cccc3)c2NCC(CO)O	105
+O1C(CO)CNC(C1)=O	467
+c1cc(ccc1OCc2ccccc2)CCCCn3c(ncc3)CC(O)CO	4452
+c1c(C#N)cc(OC(COC)C)cc1Br	57
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3[nH]c(C(OCC)=O)cc3c2	1346
+O=S(=O)(OC(COC)CC)c1ccc(cc1)C	36
+c1c(I)cc(c(Nc2c(C(NOCC(O)C)=O)ccc3cncn23)c1)F	1546
+c1cc(c(NC(Cc2c(cccc2)-n3nnnc3)=O)c([N+]([O-])=O)c1)O	33
+c1cc(ccc1C#N)CCNC(Cn2cnc3N(C(N(C)C(c23)=O)=O)C)=O	9
+c1(c(cccc1NC(=O)C2N(CC(C2)F)C(=O)Cn3nc(C(N)=O)c4ccccc34)-c5c(Cl)cc(c(F)c5)F)F	348
+c12nnc(C)n1nc(-c3ccccc3F)cn2	4743
+c1cc(ccc1-c2c(C3=NOC(=O)N3)cccc2)CC=4C(N(c5n(C=4CCC)nc(C)n5)C(COC)C)=O	618
+c1cc(ccc1CC2=C(n3ncnc3N(CC(=O)N)C2=O)CCC)-c4c(C5=NOC(=O)N5)cccc4	618
+c1cc(ccc1N2C=NC(=C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)C2=O)CCC)OC(C)C	618
+c1cc(ccc1OC)C(CN2C(C=C(CCC)N(C2=O)Cc3ccc(cc3)-c4c(cccc4)C5=NOC(=O)N5)=O)=O	1671
+c1cc(ccc1-c2c(C3=NOC(=O)N3)cccc2)CC=4C(=O)N(C(=NC=4CCCC)C)c5ccc6OCCc6c5	618
+c1cc(ccc1CN2C(=O)C(c3ccccc3)=C(N=C2SCC)C)-c4c(cccc4)C5=NOC(=O)N5	1671
+c1cc(ccc1OC)N2C(CC)=NC(CCC)=C(C2=O)Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4	618
+c1cc(ccc1)C(c2ccccc2)(C(N)=O)CC3CCN(CC3)Cc4ccccc4	3797
+[O-][NH+]1C=2C(=O)c3ccccc3C=CC=2C=CC1=O	10258
+N(C(C=C(OC)C)=O)c1cc([N+]([O-])=O)ccc1	10259
+Brc1ncc(c(C(=O)C)c1)F	155
+C(O)(c1c(N)cc2c(OCO2)c1)=O	0
+c1ccccc1COC(C)c2cc(c(nc2)SC)Cl	149
+O=C1c2ccc(cc2OCc3c1cc(cc3)F)F	358
+C(c1cc2c(cc1)n(C)nn2)(=O)c3cc(OCC)c(OC)cc3	335
+C(CCCC)CCOc1ccc2c(ncc(C(C)=O)c2)c1	716
+c1cc(ccc1CCC(NCC(c2cccnc2)O)=O)Br	9
+CCC(c1cccnc1F)=O	716
+Nc1nccc(c1)C(Oc2ccc([N+](=O)[O-])c3ccccc23)C	57
+CCOC(c1c2-c3c(cccc3)Oc4c(cccc4)-c2cs1)=O	4973
+OC12C(C)(C(CC#N)CC1)CCC3C2CCC4C3(CCC(O)C4)C	59
+c1cc(ccc1C)S(=O)(=O)OCCSC2CCC3(C)C(CCC4C5(CCC(c6ccoc6)C5(CCC34)C)O)C2	36
+c1cc(ccc1F)CN(OCC(=O)N(C)C)C(C=2CN(C)C(C=2O)=O)=O	4902
+c12c(ccc(c1)O)cco2	10260
+c1(C=O)cc2c(cc1)C(O)CCC2	39
+C(N(CCC#N)CCCO)=O	1003
+C(n1cnc2cc(ccc12)C(=O)OC)CCl	1449
+c1(cc2c(n(cn2)CCNC(C)=O)cc1)-c3nnc(O)cc3	1449
+c1([nH]c2c(cccc2)n1)-c3n[nH]c4c3cc(C=O)cc4	10261
+c1(c(C)cccc1)Nc2c(C(OC)=O)cc3[nH]cnc3c2F	3132
+c1c(-c2cnn(C)c2)ccc(NC=O)c1C	753
+c1cccc2CN(C=O)CCOc12	1003
+c1(ccc2c(oc(SC)n2)c1)Cn3cnc4c3cc(Cl)c(Br)c4	1449
+c12[nH]cnc1c(N)cc(c2)Br	631
+c12c(ccc(c1)O)ncn2C	10262
+O=Cc1c(c(c(N)c(F)c1)Br)F	1543
+c1c(cc2n(cnc2c1)Cc3cncc(F)c3)Br	1449
+c1(C=O)cc2c(cc1)nc(NC)nc2OCC	10263
+c1c2c(CCCNCCOc3cccc4c3[nH]cn4)c[nH]c2ccc1	631
+c1cc(ccc1)-c2oc3c(c(O)ncn3)c2-c4ccccc4	10264
+c1cc(ccc1)Cn2c3c(c(-c4ccccc4)cc(NC)c3)nc2	10265
+c1cc(ccc1)C2c3c(CCN(C2)C)c(c(OC)cc3)[N+](=O)[O-]	2195
+c1cc(ccc1)CN2c3ccc(C=O)cc3-c4ccccc4C2=O	1543
+c1cc(ccc1)COc2cc3C(N(Cc4ccc(OC)c(c4)OC)C(N(c3cc2)C5CCN(CC5)C=O)=O)=O	1003
+c1cc(ccc1)NC=O	753
+c1ccccc1Nc2c(c3[nH]cnc3cc2C(OC)=O)F	3132
+c1ccccc1SC(CNC=O)c2c3ccccc3ccc2OC	707
+c1cc(ccc1F)C(=O)C2CCN(CC2)C	2195
+c1cc(ccc1Cl)NC=O	753
+c1cc(ccc1I)NC=O	2887
+c1cc(ccc1NC(=O)Nc2ccncc2)-c3nc(N4CC5CCC(C4)O5)nc(N6CCN(CC6)C)n3	2195
+c1cc(ccc1OCCNC=O)-c2c(C#N)c3c(n2CC)cc(cc3)OC	707
+c1cc(ccc1NC=O)[N+](=O)[O-]	753
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CNC=O	707
+c1ccccc1COc2cc(CC(NC=O)CC)ccc2OC	707
+c1ccccc1COc2c(cc(cc2)CCN)NC=O	2887
+c1ccccc1COc2cccnc2CNC=O	707
+c1cnc(Cl)c(CNC=O)n1	707
+c1cnccc1COc2cc(C=O)ccc2	1543
+C(C(C=O)CC)Sc1ccccc1OC	24
+C(O)C(CO)(NCc1c2c(cc3cc4c(cccc4)cc13)cccc2)C	42
+C(O)C(CO)(C)NCc1cc2c3ccccc3ccc2c4ccccc14	370
+C1(=O)COCC(c2cc(ccc2)Br)(CO)N1	467
+n1c(Br)cc(C2(COCC(=O)N2)CO)cc1	467
+C1(=O)COCC(c2nc(ccc2)Br)(CO)N1	467
+OCC(CO)(c1ccc(cc1)NC(=O)Oc2ccccc2)O	90
+C(O)C(CO)(N)c1cccc(Br)c1	157
+OCC(CO)(O)c1ccc(cc1)N	0
+C(O)C(CO)Nc1nc2c(C=CC(=O)N2c3ccc(cc3F)F)c(Cl)n1	306
+c1cc(ccc1C(N2CCN(CC2)c3c(cccn3)NC(C)C)=O)C(=O)NC(CO)CO	513
+c1ccccc1C=Cc2cc(-c3cc4c([nH]3)nc(NC(CO)CO)nc4O)ccn2	785
+c1ccccc1COCC2C(CO)CC=CC2	555
+c1cc(ccc1F)COCC2n3c(COC2)nc4cnc5ccccc5c34	149
+c1cc(ccc1S(=O)(=O)OCC2Oc3ccccc3-c4n(C2)c5c(cccc5)n4)C	36
+O=C(CN1CCCC1=O)N2CCCC2C(N3CCCC3C=O)=O	24
+O(C(=O)CCCCCCN1C(C=O)CCCC1=O)C	24
+c1ccccc1C(NC=2C=CN(C3C(O)C(C(O3)CO)O)C(N=2)=O)=O	10266
+c1cc(ccc1S(=O)(=O)OCCC2COc3c(cccc3)O2)C	36
+c1nc(ncc1OCCC=CCCCC)-c2ccc(cc2)CCCCCOCCC	1897
+C(CCCN1C(=O)c2c(nc(n2CC=C)Cl)N(CCCC)C1=O)O	1474
+c1cc(ccc1C)S(=O)(=O)OCCCCCCO	36
+C(CCCCl)OC(=O)Nc1ccc([N+]([O-])=O)cc1C	589
+C(CCCNc1c(c(nc2ccccc12)Cl)[N+](=O)[O-])O	105
+c1c([n+](ccc1)[O-])NCCCCO	1911
+C(NCCCCO)(c1ccc2ccccc2c1)=O	93
+N#CC(C#N)=C1N(CCN1)CCCO	10267
+O1CCOC1c2ccc(c(Cl)c2)Oc3cc([N+]([O-])=O)c(N)cc3	1435
+C1COC(O1)(C)Cc2cc([N+]([O-])=O)ccc2	381
+c1cc(C#N)cc([N+]([O-])=O)c1OCCO	57
+O1CCOC12CC(CC2)c3c(F)cc(c(c3)F)Br	381
+C1COC(O1)c2c([N+](=O)[O-])cc(F)cn2	4986
+C1COC(O1)c2ncccc2[N+]([O-])=O	4986
+c12c(C(=O)N(C1=O)CCCCCCC3(OCCO3)C)cccc2	381
+c1c(c(c(I)cc1C(=O)OCC)OCCO)Br	126
+c1c(C)nc(cc1)-c2[n+]([O-])c(C)cc(OCCO)c2	1210
+c1c(I)c(cc(c1Cl)Cl)Oc2cc(ccn2)OCCO	260
+O1CCOC1c2c(OC)ccc([N+](=O)[O-])c2	1435
+C1COC(O1)c2cc(OCCOCCOCCOCCN=[N+]=[N-])c(OC)c(c2)OC	10268
+C1COC(O1)(CC(=O)OCC)c2cc(Br)ccc2F	10269
+C1COC(O1)CCc2cc3nc(oc3cc2)Cc4cc5c(cc4)cccc5	2881
+c1cc(OC)cc(OC)c1C(CCCCC)CC(O)=O	1746
+O1CCOC1(c2oc3c(c(ccc3OC)[N+](=O)[O-])c2)C	10270
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)SC=Cc4scnc4COCCO	10271
+c1cc(ccc1C)-c2c(ncnc2OCCO)N	145
+c1cc(ccc1C2(OCCO2)C)[N+](=O)[O-]	3104
+C1CC(CCC1C2(OCCO2)c3ccc(cc3)Cl)C(=O)N(OC)C	3104
+O=S(=O)(CCC)Nc1c(c(OCCO)ncn1)-c2ccc(cc2)C	145
+O=S(=O)(CCc1ccccc1)Nc2c(c(OCCO)ncn2)-c3ccc(cc3)C	145
+c1cc(ccc1-c2c(ncnc2NS(=O)(=O)Nc3ccc(cc3)C)OCCO)C	145
+c1cc(ccc1C)S(=O)(=O)N2c3ccccc3C(CCC2)CC(=O)O	1746
+O1CCOC1c2ccc(cc2)Oc3ccc([N+](=O)[O-])c(c3)C	1435
+O1CCOC1c2ccc3oc(C(=O)c4ccc(cc4)F)cc3c2	1435
+c1cc(ccc1[N+]([O-])=O)OCCO	57
+O1CCOC1CN2C(=O)C(NC(=O)Nc3ccc(cc3)C)(c4ccccc24)CC(Nc5ccc(cc5)C)=O	2881
+c1cc(ccc1[N+]([O-])=O)OC(C)C(OCCO)=O	456
+C1COC2(O1)CCN(S(=O)(=O)c3ccc(cc3)C#N)C2	381
+c12c(ccs1)cc(C(O)COCCO)cc2	850
+c1cc(ccc1)C(CC(O)=O)Cc2c(cccc2)OC	1746
+CC(C)(C(=O)O)Cc1ccccc1	1746
+O1CCOC1(CC(Cc2ccccc2)N3C(=O)c4ccccc4C3=O)C	381
+c1ccccc1CCS(=O)(=O)Nc2c(Oc3cc(OC)ccc3)c(nc(N4CCOCC4)n2)OCCO	145
+c1cnccc1-c2nc(OCCO)c(Oc3c(OC)cccc3)c(n2)NS(=O)(=O)CCc4ccccc4	145
+c1ccccc1CN2CCC(CC2)N(C(C)C)C(CCCOCCO)=O	649
+c1ccccc1COC(N2C(C(OC)=O)CC3(OCCO3)CC2)=O	381
+c1ccccc1COCCC(C2OCCO2)CC=C	10272
+c1ccccc1COCCCCC2(CCCC3(OCCO3)CO2)C	381
+O=S(=O)(c1ccccc1)Cc2c(ccc(c2)OCCO)[N+](=O)[O-]	57
+c1c2ccccc2cc(CCN=[N+]=[N-])n1	600
+c1c(cnc(c1)OCc2c(onc2-c3c(cccc3)F)C)C(=O)OC	91
+c1(Cl)cccc(Cl)c1-c2nc3c(s2)c(ncc3)Nc4cc(CO)ncn4	4925
+O=C1c2ccccc2C(=O)N1Cc3ncnc(c3)N	2181
+O=Cc1ncc(cc1)C(=O)OC	178
+O=Cc1nc2c(cc1)cc(cc2Br)F	178
+c1(cccc(F)c1)COc2nc3c(C(NCC3)=O)cc2	91
+O=Cc1ncc(nc1)Cl	614
+c1c(c(Cl)cc([N+]([O-])=O)c1)OCc2cnccn2	57
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3cocn3	328
+c1(cc2c(nc1OCc3ncccc3)n(cc2)C)F	91
+C(c1nccc(c1C)SCc2ccco2)S(=O)c3[nH]c4c(n3)cccc4	10273
+Oc1c(ccc(O)c1Cl)C(=O)C	10274
+c1c2c(sc3c2cc(cc3)C(=O)O)ccc1	10275
+c12-c3c(cccc3)C(c1cccc2)COC(N4C(C)CCC(C4)C(=O)O)=O	1405
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)CCC(=O)O)cnc23	10276
+c1cc(ccc1C2(CCC2)C(O)=O)-c3c(cc4[nH]cc(C(=O)O)c4c3)Cl	1451
+c1cc(ccc1CC(=O)N2CCC2)-c3c(Cl)cc4c(c(C(O)=O)c[nH]4)c3	1451
+c1cc(ccc1-c2c(Cl)cc3c(c(C(O)=O)c[nH]3)c2)CO	1451
+c1cc(ccc1OCCN2CCOCC2)-c3c(Cl)cc4c(c(C(O)=O)c[nH]4)c3	1451
+c1cc(ccc1OCCO)-c2c(c3c(c[nH]c3cc2F)C(=O)O)F	1451
+C(Cn1cnc2cccc(c12)F)(=O)O	1405
+n1ccnn1-c2c(C(N3CC(C(O)=O)CCC3C)=O)cccc2	1405
+S(c1cc(ccc1)C(c2n(C)nnn2)=NO)C	10277
+[N-]=[N+]=NC1CCc2c(ccc(c2)C(NO)=N)C1O	181
+N(O)C(c1cc2nc(-c3c(Cl)ccc([N+]([O-])=O)c3)[nH]c2cc1)=N	181
+c1c(Br)c(c(cc1C(=N)NO)Br)O	181
+C(CC(c1cc(C)ncc1)=NO)(c2ccccc2C)c3cccc(-c4cccc(c4)C(O)=O)c3	189
+c1(C)cc(ccc1F)C(OC)CC(CC=C)C(=O)NO	909
+c1(C)cc(nc(Cl)n1)C(NO)=N	958
+c1(C)cc(nc(Cl)n1)C=NO	688
+c1c(cc(cc1)C=CC(=O)NO)NC(C=Cc2cc3OCOc3cc2)=O	793
+[nH]1c2nccc(-c3ccc(C)cc3C)c2c(C=NO)c1	506
+c1cc(cc(C)c1OCOC)C=NO	135
+c1(C)cc(ccc1[N+]([O-])=O)C=NO	135
+Clc1cc(ccc1C)C=NO	135
+c1c(c(cc(c1)C=NO)OCC)OCc2ccc(nc2)OC	135
+c1(cc(ccc1)-n2nc(C(=O)OC)c3cc(C#N)ccc23)Br	1421
+c1(NO)nc2c(c(n1)N)cccc2	10278
+ON=C(C(OC)=O)c1ccccc1O	4069
+N(O)C(c1c(cc2n[nH]cc2c1)F)=N	181
+N(O)C(=N)c1c(CC)c(Br)ccc1	181
+c12cc(OC)c(OC)cc1nc(Cl)c(C=NO)c2	506
+c1(ccccc1OC)C(=NO)N	253
+c12c(C)ccc([N+]([O-])=O)c1[nH]cc2C#N	4934
+[nH]1c2c(c(C=NO)c1)c(ncn2)Cl	506
+N(O)C(c1cc(-c2cc(F)ccc2)nc(n1)C)=N	958
+Cc1cc(cc(C)c1OCC(O)=O)C(=NO)c2cccs2	10279
+c1cc(ccc1OCCCOc2c(cc(cc2Cl)OCC=C(Cl)Cl)Cl)C(NO)=N	181
+c1(ccc(C(=O)NCc2c(OCC(=O)NC)cc(C(NO)=N)cc2)cc1C)F	181
+OC(C(c1cc(F)c(cc1)F)=NO)C	189
+C1(CC(c2ccc(OCOC)cc2OCOC)CCC1)C(NO)=O	293
+c1cc(F)c(Cl)c(C=NO)c1F	135
+c1(ccc(cc1Cl)NCC(=O)NO)Cl	1376
+c1(ccc2c([nH]c(-c3cccc4c3-c5c(C4=NO)cccc5)n2)c1)Cl	1205
+c1(ccccc1Cl)Oc2cc(c(cc2)C(=NO)C)Cl	189
+ON=C(c1ccnc(C)c1)C	189
+c1(nc2cc(C=NO)c(Cl)nc2n1C)C	506
+c1-2ccccc1N(CC)C(c3cc(cn-23)C=NO)=O	506
+c12C(=O)c3c(ccc(Br)c3)-c1nc(cc2)C=NO	688
+C1CC(=NO)c2ccccc12	189
+c12[nH]cnc1ccc(c2)C(NO)=N	181
+C1(=NO)c2c(c(F)ccc2)OCC1	189
+c12OCCCC(=NO)c1cccc2	189
+c12c(cccc1)CN(C2)C(=O)Nc3ccc(cc3)C(=NO)N	253
+c12c(cccc1n(nc2)CCC(OCC)=O)C(NO)=N	181
+c12C(=NO)CCc1cc(CCCCCC)c(OCCCC(=O)O)c2	189
+c1(N)cc(-c2cc3ccncc3cc2)no1	10280
+c12n(c(C(=O)OCC)c(c1cc(F)cc2)C=NO)Cc3c4c(cccc4)ccc3	506
+c12nn(C)cc1c(ccc2)C3CC3C=NO	410
+c1c(Br)cc2CCC(=NO)Cc2c1	350
+N(O)C(=N)c1cnncc1	3106
+C(C)CCC(c1cc(c(OC)cc1)OC)=NO	189
+c1c(C)cc(cc1OCC(C)=NO)C	350
+Fc1cc(cc(F)c1C=NO)C#N	135
+c1c(F)c(c(cc1C=NO)F)SC	135
+c1c(c(ccc1F)C(=NO)c2cccc(OC)c2)F	1205
+c1c(cc(c(c1)O)C(NO)=O)Br	1133
+C1(=NO)c2c3ccc(cc3n(c2CCC1)C)Br	1375
+c1c(nc(C(C)=NO)cc1)C	1213
+c1c(oc2c1cc(cc2)C(NO)=N)CO	181
+c1c2c(cc(CC(=N)NO)c1)CCC2	409
+c1cccc2c(C=NO)ccc(Br)c12	135
+c1cc(c(cc1)N2C(=O)C(C=NO)=C(C=C2)Cl)C	10281
+c1cc(c(cc1C(=NOC)CCC(=N)NO)Cl)Cl	409
+c1cc(cc(c1OC)C(NO)=N)F	181
+c1cc(cc(C(c2c(c(-c3cnccc3C)ccn2)F)=NO)c1OC)F	4158
+c1cc(ccc1)-c2c(cc(C(C)c3cc(N)on3)cc2)F	2459
+c1cc(ccc1)-c2c(F)cc(C(N)=NO)cc2	253
+c1cc(ccc1)-n2cc(c(-c3ccc([N+](=O)[O-])o3)n2)C=NO	4938
+c1ccccc1C(c2cncn2C)=NO	10282
+c1cc(ccc1)C(c2ccccc2)C(=O)Nc3c(O)nc(nc3)C=NO	4584
+c1ccccc1C23C(CCc4c(nc(-c5ccccc5OC)nc24)OC)C(c6oncc6C3)C	4987
+c1cc(ccc1)C=CS(=O)(=O)Nc2cc(ccc2)C=CC(NO)=O	2291
+c1ccccc1CC(c2ccc(c(C)c2)OCC(=O)OCC)=NO	189
+c1ccccc1CC=NO	410
+c1cc(ccc1)CCN2CCC(CC2)=NO	350
+c1cc(ccc1)CN2CCC(C(C)=NO)C(C2)c3ccc(cc3)Cl	350
+c1cc(ccc1)CN2C(=O)CC(C2)C(C)=NO	350
+c1cc(ccc1)CNC(=O)c2cccc(-c3cccc(C(NO)=O)c3)c2	1133
+c1cc(ccc1)Cc2c3c(cccc3)n(CC=NO)c2	410
+c1cc(ccc1)-c2c(c3c(C(CN(Cc4ccccc4)C3)C)n2Cc5ccccc5)C=NO	506
+c1cc(ccc1)NCCC(=N)NO	409
+c1cc(ccc1)S(=O)(=O)CC=CC=CC(=O)NO	10283
+c1cc(ccc1F)-c2c3n(nc(NC(=O)OCC)n3)ccc2	977
+c1cc(ccc1-c2cc(F)ccc2)C(CCC(O)=O)=NO	189
+c1cc(ccc1C(N(C)C(C(NC)=O)C(=O)NO)=O)-c2ccc(cc2)COC	10284
+c1cc(ccc1C(NO)=N)-c2oc(cc2)Br	181
+c1cc(ccc1C(Cc2ccc(SC)c(F)c2)=NO)Br	189
+c1cc(ccc1C(CC(=NO)c2ccnc(C)c2)c3ccccc3C)Br	189
+c1cc(ccc1C#CC#CCO)C(=O)NC(C(=O)NO)C(N)C	909
+c1cc(ccc1C#Cc2cc(F)ccc2)C(=N)NO	181
+c1cc(ccc1-c2nc3c(cccc3)[nH]2)C(N)=NO	253
+c1cc(ccc1C(=N)NO)C2(C3CCC(C3)C2)c4ccc(cc4)OCc5ncccc5	181
+c1cc(ccc1C(=NO)N)C2CC3(C(N(C(N3)=O)C)=O)CC2	253
+c1cc(ccc1C(=NO)N)CCO	253
+O=S(=O)(N(Cc1ccc(cc1)C(=NO)N)C2C(NCCCC2)=O)c3ccc(cc3)Cl	253
+c1cc(ccc1I)C(=NO)N	253
+c1cc(ccc1C(=NO)N)Oc2ccccn2	253
+c1cc(ccc1[N+](=O)[O-])C(N)=NO	253
+c1cc(ccc1C(CC)=NO)OCC(OCC)=O	189
+c1cc(ccc1OCCOC)C(CC)=NO	189
+c1cc(ccc1OC)C(=NO)Cc2nccc(c2)Cl	189
+c1cc(ccc1C(c2c(F)cc(F)cc2)=NO)OC	1205
+c1cc(ccc1C(CCC(O)=O)=NO)-c2c(cc(Cl)cc2)F	189
+c1cc(ccc1OCOC)C(CCC)=NO	189
+FC(F)(C(=O)NO)c1ccc(cc1)NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C	1376
+c1cc(ccc1SCCNC(=O)c2oc3c(cccc3)c2)C(NO)=O	1133
+c1cc(ccc1C)S(=O)(=O)n2c3cccc(C=NO)c3cc2	135
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3	409
+c1cc(ccc1C=2C=CC(N(Cc3cc(NC(OCC)=O)ccc3)N=2)=O)C(NO)=N	181
+c1cc(ccc1C)C=NO	135
+c1cc(ccc1F)C=NO	135
+c1cc(ccc1NCCCCCCCCCCCCCCCC)C=NO	135
+c1cc(ccc1Oc2c(cc(Br)cc2)Cl)C=NO	135
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(NCCCCCCC(NO)=O)=O	909
+c1cc(ccc1C(=NO)N)CC(=O)OC	253
+c1cc(ccc1Cc2c3c4c(cnc(c4COC)C=NO)[nH]c3ccc2)Cl	688
+C1COCCN1Cc2ccc(cc2)Cc3ccc(cc3)C(=O)NC(C(=O)NO)C(O)C	909
+c1ccccc1COC(=O)N2CCCC2c3onc(C)c3Cc4ccc(cc4)Cl	10285
+c1cc(ccc1-c2onc(C(=O)OCC)c2)F	1208
+c1cc(ccc1C(Cc2nc(ccc2)Cl)=NO)F	189
+c1cc(ccc1F)C(=O)N2CCCC(C(N)=NO)C2	609
+c1cc(ccc1CC(=N)NO)F	409
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4c3cc(cc4)C=NO	135
+C1CN(CCC1=NO)c2ccc(cc2)OC	350
+c1ccccc1C(Nc2ccc(cc2)Cc3cn(C)c4ccc(C(=O)NO)cc34)=O	514
+c1cc(ccc1NCCCCCC(=NO)CCCCCCCCCC)C(OCC)=O	350
+c1cc(ccc1NS(=O)(=O)C)C(=NO)C	189
+c1cc(ccc1C(c2cc(CCC(=O)O)c(cc2OC)OC)=NO)OC	1205
+c1cc(ccc1OC)S(=O)(=O)N2C(C(NO)=O)C(CCCC2)COC(C)=O	293
+c1cc(ccc1OCCCC(=O)O)-c2ccc(cc2)C(N)=NO	253
+c1ccccc1-c2ccc(cc2)OCCCC(=O)NO	293
+c1cc(ccc1OCCCCCC)S(=O)(=O)N(CC(NO)=O)CC(C)C	1376
+c1cc(ccc1OCCN2C(Sc3c2ccc(C(c4ccccc4)=NO)c3)=O)OC(C)(C)C(OCC)=O	1205
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=NO	135
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)NC(=O)C4C(C(=O)NO)CC5(CC5)CN4C	293
+c1cc(ccc1OCc2cccc(F)c2)N3C(=O)CC(C(N)=NO)C3	609
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)C=NO	135
+c1cc(ccc1)COc2cc(c(c(c2)OCc3ccccc3)C(C)=NO)Oc4ccc(cc4)[N+]([O-])=O	189
+c1cc(ccc1Oc2c(ccc(F)c2)Br)C=NO	135
+c1cc(ccc1C(N)=NO)Oc2cc(cc(c2)OC(C)COC)C(=O)Nc3nn(C)cc3	253
+c1cc(ccc1OC)Oc2cccc(C=NO)c2	135
+c1cc(ccc1Oc2c(cccc2)C=CC(NO)=O)Cl	10286
+c1cc(ccc1S(=O)(=O)C)OCC(NO)=N	409
+c1cc(ccc1S(=O)(=O)N(CCc2ccc(cc2)OC)CCC(NO)=O)-c3[nH]nnn3	909
+c1cc(ccc1OCC#CCCOC2OCCCC2)S(=O)(=O)N3C(C(NO)=O)C(C)(C)SCC3	293
+c1cc(ccc1Sc2ccc(cc2)C(=O)NC(C(O)C)C(=O)NO)CN3CCOCC3	909
+c1cc(ccc1C=NO)Sc2ccccc2	135
+c1cc(ncc1Br)C=NO	688
+c1cc2c(cc1F)c(cnc2N)C(C)=NO	1375
+N(O)C(c1cccc2c1cc[nH]2)=N	181
+N(C(c1cc(C(=O)O)ccc1)=N)O	181
+N(O)C(c1c2CCCC(O)c2ccc1)=N	181
+N(=C1c2ccccc2CCC1)O	189
+c1cc(ccc1)-c2c(oc3cccc3c2)CC(=O)NO	1376
+c1ccccc1-c2nn(c3c2CCC4C(c5oncc5CC34c6ccccc6)C)C	4987
+c1cc(ccc1)-c2noc3c(c(O)ccc23)CCC	10287
+c1cc(ccc1)C(CC(C)C)=NO	189
+FC(F)(C(N)=NO)c1ccccc1	609
+c1cc(ccc1CCC(NO)=O)NC(c2ccccc2)=O	293
+c1ccccc1CC(NO)=N	409
+c1cc(ccc1SC)C(=NO)Cc2ccccc2	189
+c1cc(ccc1C(N)=NO)CC2C3C(=O)N(Cc4ccccc4)C(=O)C3C(C)(C)N2C	253
+c1cc(ccc1CC(C(=O)NC(C(OC)=O)C2CCCCC2)C(=O)NCc3ccccc3)C(N)=NO	253
+C1CC1CC(NC(=O)OCc2ccccc2)(C)C(NO)=N	409
+c1ccccc1COCC(OCC=NO)CC=C	410
+c1cc(ccc1)COc2cc(cc(Oc3ccc(cc3)[N+]([O-])=O)c2-c4onc(C(OCC)=O)c4)OCc5ccccc5	1208
+c1ccccc1COc2ccc(cc2)-n3c(C)c(C=NO)c4cc(F)ccc34	506
+c1ccccc1COc2cc3c(OC(C)(C)CC3=NO)cc2	189
+c1cc(ccc1OCC=NO)Oc2ccccc2	410
+c1cccn2c1ncc2C(Nc3c(C)ccc(c3)C(NO)=N)=O	181
+N(O)C(c1ccc(c2c1ccn2CC)Br)=N	181
+c1cnccc1C(=NO)c2c(F)cc(F)cc2	1205
+c1cnccc1Oc2ccc(cc2)C(N)=NO	253
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)C(NO)=N	2269
+c1nc(c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C)C(NO)=N	2269
+c1nc(C(NO)=N)c2n1-c3ccc(cc3C(N4C2CC4)=O)F	2269
+N(O)C(c1cc2c(n(nc2)CCCC(OCC)=O)cc1C)=N	181
+n1cc(ccc1OCC(OC)=O)C(C)=NO	1375
+N(O)C(=N)c1c2cc[nH]c2cnc1	3106
+c1ccccc1Cc2cccc(-c3nc(c(c(N)n3)N=O)O)c2	10288
+c1ccccc1Cc2onc(c2)C(OCC)=O	10289
+C1(c2cc(I)ccc2)ON=C(C(CCl)=O)C1	10290
+N#Cc1cc2nccc(Cl)c2s1	10291
+C1(C(N=O)=C(N(C(=S)N1)c2cc(CC)ccc2)N)=O	1882
+c1cc(ccc1CO)N=Nc2ccc(cc2OC)N(C)CCCN=[N+]=[N-]	725
+c1c(-c2cnccc2)ncc3n[nH]cc13	4988
+Clc1cc(cc(Cl)c1)N2C(N)=C(N=O)C(=O)NC2=S	863
+c1(nnnc2c1ccs2)O	10292
+n1n(CC=C)c2ccc(C#N)cc2n1	10293
+C(c1cc2c(cc1)n(nn2)CCCC)(=O)O	2183
+c1([nH]c2c(cccc2)n1)CN3C(=C(N)C(NC3=S)=O)N	3088
+c1cc(cc(c1Oc2cc3c[nH]nc3cc2)C#N)F	1559
+c1n[nH]c2cnc3cc(OC)c(OC)cc3c12	4988
+c1(c2ccc(cc2nnn1)F)O	10294
+n1c(C)ccc(CC)c1O	3021
+O(C)CCOc1ccc2c([n+](nc(O)n2)[O-])c1	10295
+c12cc(C(=O)O)ccc1[nH]nc2C=O	3135
+c12cc(NN)ccc1c(ccc2)OC	427
+N1(c2cc3c(cccc3)nc2)C(N)=C(C(=O)NC1=S)N=O	863
+C(c1c[nH]c2ncccc12)n3nnc4c3nc(cn4)Br	3545
+c1c(Cl)cc(cc1Sc2ccc3c(c([nH]n3)N)n2)Cl	10296
+Ic1cc(cc(I)c1)NN	427
+c1c(ccc(Oc2cc3nn[nH]c3cc2Br)c1F)F	1714
+c1cc2c(c(c1OC)OC)OC(=CC2=O)c3cc4c(cc3)[nH]nn4	1714
+c1(cccc(c1)O)NN	427
+O=[N+](c1cc(C)c(C)cc1OC)[O-]	2026
+n1[nH]c2CCCc3cc([N+]([O-])=O)cc1c23	10297
+c1c(OC)ccc(c1F)NN	427
+n1[nH]c2c(ccc(c2)Br)c1C=O	3135
+c12cc(ccc1[nH]nc2C=O)Br	3135
+c1(c([N+]([O-])=O)cc2NC(CCc2c1)=O)OC	2026
+c1cc(ccc1)-c2cc3c(c(O)nnn3)s2	10298
+c1cc(ccc1)CNC2CCc3ccc(O)cc3C=C2	956
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3ccc4[nH]nc(S(=O)(=O)c5c6c(ccc5)cccc6)c4c3	1025
+c1cc(ccc1N=Nc2ccc(cc2)O)CO	725
+c1cc(ccc1-c2c(nc(N)nc2COCc3ccccc3)N)O	956
+c1cc(ccc1-c2cn3c(ccc(c3)I)n2)NN	427
+c1cc(ccc1NN)-c2cnco2	427
+c1cc(ccc1F)C(C(c2ccnc(Cl)c2)=NO)=O	10299
+c1cc(ccc1C)N(N=O)CCc2ccc(nc2)Cl	2708
+c1cc(ccc1C)S(=O)(=O)OCCCOc2ccc3c(c2)c(n[nH]3)S(=O)(=O)c4cccc5ccccc45	1025
+c1cc(ccc1CN2C(=O)N(C(N)=C(C2=O)N=O)C)OC	863
+c1cc(ccc1CN2CCC(CC2)n3c4c(nc3C)cccc4)-c5nc6nn[nH]c6cc5-c7ccccc7	10300
+c1cc(ccc1O)C23CC2CN(C3)C(C)=O	606
+c1cc(ccc1F)S(=O)(=O)c2ccc(cc2)NN	427
+c1cc(ccc1S(=O)(=O)n2ccc3c2C(=O)N(C=C3c4ccc5c([nH]nn5)c4Oc6ccc(F)cc6F)C)C	1714
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(=O)C(C(=O)CBr)=NO)=O	10301
+c1c2c(ccc1)c([N+](=O)[O-])cnc2O	10302
+S(CCOc1ccccc1NN)C	427
+c1ccccc1COc2c(cc(cc2)F)NN	427
+c1ccccc1COc2c(cc(nc2)C(=O)N=[N+]=[N-])O	2279
+c1cc(ccc1)Oc2cccc(c2O)C	956
+c1ccccc1S(=O)(=O)c2c3c([nH]n2)ccc(OCCOS(=O)(=O)c4ccc(cc4)C)c3	1025
+n1c(SC)nc(c(N=O)c1N)O	10303
+c12[nH]nnc1cc(Cl)nc2	10304
+c1cnc(Cl)c2n1nnn2	10305
+O=S(Cc1c(F)cccc1Cl)c2[nH]c3c(cncc3)n2	3136
+[N-]=[N+]=NCc1ccc([n+](c1)[O-])C	341
+c1(C)cc([n+](cc1[N+](=O)[O-])[O-])Cl	341
+c1c(c(ccc1C(=O)O)-n2cc(nc2)C)OC	10306
+c1(C=O)cccc(OCCS(=O)C)c1	2978
+c1(Cl)c(ccc(CO)c1)-c2cc(ccc2)C(=O)N	216
+Oc1c(F)cc(cc1O)Br	2286
+c1(OC)cc(cc(OC)c1OC)Nc2ccc(C(=O)N)c(NC(COC)C)c2	216
+c12c(ccc(c1O)F)ccc(n2)OC	10307
+Nc1c(cc(cc1[N+]([O-])=O)F)C(=O)O	4555
+c1c(c(O)c(Cl)cc1)CCCO	347
+c1c(cc(C)c(CCO)c1)Br	1709
+c1c(cc(cc1)CCCBr)C(=O)N	216
+c1c(cc2[nH]cc(c2c1)CC(N)=O)Br	527
+c1c(ncc(c1)N2CC(CC2)O)C(=O)N	1200
+c1c2NC(CCc2cc(c1)Nc3nc(NC(CC)C(N)=O)cnc3C(=O)N)=O	1198
+c1c2c([nH]cc2CC(C(N)=O)Nc3ccc(c(Nc4cc(ns4)C)c3)C(N)=O)ccc1	216
+c1(c(F)c(cc2CCCOc12)O)F	1991
+c1[n+]([O-])cc2cccc([N+]([O-])=O)c2c1	341
+c1cc(cc(Br)c1Oc2ncc(C=O)cc2)C(=O)N	216
+O=S(=O)(c1ccc(cc1)-c2ccccc2)C(F)F	902
+c1ccccc1C(CCO)(O)CCCl	347
+c1cc(ccc1OC)C(C)C(=O)O	2263
+c1cc(ccc1C2C(CC(=O)C2)C(=O)O)Cl	2263
+c1ccccc1CCOCCCO	347
+c1cc(ccc1)COCC(F)(F)CCCO	347
+c1cc(ccc1)COc2cccc(C(OCC)=O)c2CCCO	347
+c1cc(ccc1)COc2c(ccc(C3=C(C(=O)c4ccccc4O3)O)c2)OCc5ccccc5	10308
+c1cc(ccc1)COc2cccc(c2)C3CN(c4cccc(C(N)=O)c4)C(C3)=O	216
+c1cc(ccc1)Cn2c3c(c(C=NOCCCO)c2)cccc3	347
+c1cc(ccc1)Oc2ccc(cc2-c3c(nccc3)OC)C(=O)N	216
+c1cc(ccc1)S(=O)(=O)N(CC(c2cccc(Cl)c2)CCCO)C	347
+c1cc(ccc1-c2cc(C(=O)N)nc3c2ccc(CN4C(CN(C)C4=O)=O)c3)F	1200
+c1cc(ccc1-c2c3c(cc(cc3)Cn4cc(C=O)cn4)nc(C(=O)N)c2)F	1200
+c1cc(ccc1-c2cc3c(c[nH]c3cc2)C(N)=O)Br	745
+c1cc(ccc1-c2ncc(cc2)C(=O)N)Cl	745
+c1cc(ccc1-c2c[n+]([O-])ccc2)C(OC)=O	341
+c1cc(ccc1-c2cn3cc(CCO)c(C)cc3n2)N(C)C	10309
+c1cc(ccc1-n2c(CC)nc3c2cc(c(C(N)=O)c3)Cl)CCO	216
+c1cc(ccc1Br)CCCO	347
+c1cc(ccc1OC(C(=O)OC)C)OC(=O)C	10310
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(N3CCCC(c4ccccc34)CO)=O	2938
+c1cc(ccc1C2CCCC2=O)F	10311
+c1cc(ccc1C2C(C2)CCO)Br	347
+c1cc(ccc1C(=O)N)CCN=[N+]=[N-]	216
+CC(C)NC(C)(C(CCCO)c1cc(Cl)ccc1)c2ccc(cc2)Cl	347
+c1cc(ccc1Cl)Cc2[n+](cccc2)[O-]	341
+c1cc(ccc1F)-c2csc3c2c(ncn3)CCCCO	347
+c1cc(ccc1F)-c2nc(n(c2-c3cc(ncc3)NCC(O)C)C)S(=O)C	3136
+c1c(cc(c(F)c1)O)Br	1991
+c1cc(ccc1F)C(=O)N2c3ccccc3C=CC2C(N)=O	10312
+c1cc(ccc1F)C(C)Nc2c(C(N)=O)cc(c(Nc3[nH]nc(c3)C4CC4)n2)F	745
+c1cc(ccc1NC(c2ccc([n+](c2)[O-])Cl)=O)F	341
+c1cc(ccc1N2C(=O)OC(CNC(c3ccc(s3)Cl)=O)C2)N4CCOC(C4=O)CCCO	347
+c1cc(ccc1NC(=O)C2=C(CCC2)c3cccc(C(N)=O)c3)N4C(=O)CCCC4	216
+c1cc(ccc1NS(=O)(=O)C)C(NCCN2CCS(CC2)=O)=O	2978
+c1cc(ccc1-c2nc(CCCO)c(C)o2)OC	347
+c1cc(ccc1S(=O)(=O)n2c3ccc(cc3c(C4C(CCO)C4)c2)C#N)C	347
+O=S(=O)(CCCCl)c1ccc(cc1)Cl	902
+O=S(=O)(c1c(cccc1)Br)c2ccc(cc2)CO	10313
+c1cc(ccc1)S(c2ccc(cc2)OC3CCCC3)=O	10314
+c1cc(ccc1[N+](=O)[O-])-c2nc(S(=O)C)[nH]c2	3136
+c1ccccc1C2(c3ccccc3)C(N(CC)CC2CCO)=O	347
+C(CC(CO)C(O)=O)CCC=C	2263
+c1ccccc1CCCCOCCCO	347
+c1ccccc1CN(Cc2ccccc2)CCCC(=O)N	527
+c1ccccc1COC(=O)c2ccc(c(NC3CCCCC3)c2)C(N)=O	216
+c1cc(ccc1)COC(NC2C(NC(OCc3ccccc3)=O)CCC(O)C2)=O	4091
+c1ccccc1COC2C(Nc3cc(ccc3C(N)=O)-n4c5CC(C)(C)CC(c5c(CC)n4)=O)CCCC2	216
+c1ccccc1COc2cc(O)ccc2OC	2286
+c1ccccc1COc2cc(ccc2C3CN(c4cccc(C(N)=O)c4)C(=O)C3)OC	216
+c1ccccc1Cc2[n+]([O-])cccc2	341
+c1cc(cc[n+]1[O-])CCC	341
+C(N(CCN=C1N[N+](=O)C=2C(=CC=3CCCC=3C=2)N1[O-])C)CCOC	10315
+n1cccnc1-c2cc(ccc2)Nc3nc(cnc3C(N)=O)NC4CCCCC4N	1198
+OP(O)(c1cc(ccc1)N)=O	0
+c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2	42
+c1(cc(cc(Cl)c1Oc2ccc(c(C(O)=O)c2)OC)COC)Cl	1182
+c1(c(c(ccc1C(=O)O)OC)F)O	1182
+c1cc(ccc1-c2cc3c([nH]cc3C(O)=O)cc2Cl)C4CCN(C(=O)OC)C4	2038
+c1cc(ccc1-c2nc(CCCC)n(Cc3ccc(cc3)-c4c(C#N)cccc4)c2C(=O)O)F	10316
+c1cc(ccc1)COc2c(cccc2C(O)=O)Cc3c(OC)c(c(OC)c(OC)c3C)OC	1182
+c1ccccc1COc2c3nc(C)cc(c3ccc2)C(=O)O	1182
+Nc1cccc(C(CNCC(OC)=O)=O)c1O	0
+c12OCOc1cc3C4(C(N(CC(=O)OCC)c5c4cccc5)=O)COc3c2	20
+c1cc(ccc1)COC(Cc2ccccc2O)=O	283
+c1ccc(cc1CCO)CNCc2ccccc2O	95
+c1ccccc1COc2cc(ccc2O)CC(OCC)=O	22
+c1cc(ccc1NC(CCc2ccc(c(c2)O)O)=O)C(=O)OC	33
+c1(nccc(Oc2c(c(Cl)c(cc2)N)Cl)n1)Cl	185
+O(C)Cc1cc(c(c(O)n1)[N+]([O-])=O)O	10317
+c1c2c(C3(C(N(CCCCC)c4ccccc34)=O)CO2)cc(c1)F	20
+c1cc(ccc1I)COc2ccc(c(O)c2Cl)C(=O)C	22
+c1cc(ccc1COc2ccc(c(O)c2Cl)C(=O)C)C(c3cc(ccc3)C#N)OC4OCCCC4	20
+Nc1c(c(O)c(cc1)C(=O)C)C	0
+c1cc(ccc1C=CCCCCOc2c(O)cc(cc2)C(=O)CCCC(OC)=O)OC	8
+c1cc(ccc1COc2ccc(cc2O)C(c3c4ccccc4n(CCCC(=O)OCC)c3)=O)C	22
+c1c2c(nc(-c3cc(Br)c(C)cc3)o2)ccc1	3137
+c1c2c(nc(-c3cc(OC)c(cc3)C)o2)ccc1	3137
+c1c(Oc2c(OC)cccc2)c([N+](=O)[O-])cc(F)c1NC(=O)C	46
+c1cc(ccc1OCCCCc2ccc(cc2)F)C=Cc3cccc(C(C)=O)c3O	914
+c12nc(C)ccc1nccc2O	10318
+c1cc(ccc1OC)-c2nc(CCCOc3ccc(CC(OCC)C(=O)OCC)c4CCCCc34)c(o2)C	126
+Oc1c2ccc(N)cc2nc(n1)Cc3ccc(c(Cl)c3)Cl	0
+Oc1c2c(nc(-c3cc(O)ccc3)n1)cccc2	5
+c1cc(ccc1)COC(Nc2ccc3c(c2)nc(Cc4cc(c(cc4)Cl)Cl)nc3O)=O	90
+Cc1nc(c2c(cccc2)c1[N+]([O-])=O)O	475
+c1cc(ccc1)COc2cc(cc(c2)O)C	22
+c1ccccc1COc2c(O)cc(C=O)cc2	22
+c1ccccc1CCOc2c(O)cc(cc2)C=O	8
+c1c2c(C(c3c(O)ccc(F)c3)C(N2CCCCC)=O)ccc1	462
+c1cc(ccc1OCCOc2cc3CCCCc3cc2)C=O	8
+Oc1cccc(O)c1NC(=O)c2ccccc2	50
+c1c(Br)c(Oc2cc(ccc2[N+]([O-])=O)C#N)ccc1	46
+Oc1ccccc1C(CN)O	157
+c1cc(ccc1)CN2C(CCC)=Nc3nc4ccccc4cc3C2=O	10319
+C1CN(CCN1Cc2nc3c(cccc3)c(O)n2)Cc4ccccc4	894
+c1cc(ccc1CN2c3cc(Br)cnc3C=CC2=O)OC	10320
+Cc1c(COc2ncc(cc2)C(=O)OC)c(no1)-c3ccncn3	2055
+c1(c(C(N)=S)cncc1)C	4989
+C(c1ccc(c(c1)CCC)OCCCOc2ccc3c(c2)ccn3CC(=O)OC)(=S)N	1855
+c1cccc2c1-n3cnc(C(N)=S)c3CN(C)C2=O	4802
+CC(n1ccc2cc(ccc12)OCCCOc3ncc(cc3)C(=S)N)C(=O)OC	4989
+S(C)(Cc1cccc(N)c1)(=O)=NC(OCC)=O	0
+S(C)(c1cccc(C(=O)O)c1)(=O)=NC(c2cncc(c2)C#Cc3cccc(c3)NC(=O)c4n(nc(C)c4)C)=O	1
+N#CC(C#N)=C(SC)Nc1ccccc1	10321
+O=Cc1nc(cc(c1)CCCSC)C(=O)OC	178
+S(C)c1cc(c(Cl)cc1N)OC	0
+S(c1cc(ccc1CN)F)C	162
+S(C)c1ccc(N)cc1Cl	0
+c1ccccc1NS(=O)(=O)c2cc(c(cc2)Oc3cc(c(SC)cc3)C)C#N	46
+C(c1ccc(SC)c(Cl)c1)C(=O)O	10322
+S(C)c1nnc(CCCC=O)n1C	24
+O=Cc1c(SCC#C)cccc1	39
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CSCCCCCCCCCCCCCCCC)O	604
+CCc1cc(cc(SCC)n1)Br	10323
+c1ccc(OCCSC)c(N)c1	0
+O=S(=O)(c1cc(c2nnc(c(c2c1)Cl)C(N)=O)C)C	593
+O=S(=O)(c1cc(C(=O)O)c(Cl)cc1)C	593
+O=S(=O)(C)c1ccc(O)cc1F	593
+O=S(=O)(C)c1cnc(cc1)Cl	10324
+O=S(=O)(C)c1c(-c2c(C)c(Cl)c3c(cc(cc3F)F)n2)cccc1	593
+O=S1(=O)CCc2cc(C(=O)O)sc12	10325
+O=S(=O)(C)c1nc(-c2cc(ncc2)Cl)cc(C)n1	528
+O=S(=O)(c1cc(F)c(cc1Br)F)C	593
+O=S(=O)(C)c1nc(N)c(c(NC(c2c(-c3ccnn3C)cc4c(ccn4C)n2)C)n1)C#N	528
+O=S(=O)(C)c1nc(N)c(c(n1)NC(C)c2nc3ccn(C)c3cc2-c4cscn4)C#N	528
+O=S(=O)(Cc1c(cc(c(c1)Br)OC)F)C	991
+c12-c3c(cccc3)C(c1cccc2)COC(=O)NC(C)c4cc5cccc(Cl)c5c(C(O)=O)n4	2634
+O=S(=O)(c1c(cc(Br)cc1)F)C	593
+Clc1c2c(ccc(O)c2)ccn1	10326
+c1cc(ccc1)C(c2ccccc2)CNc3nc(S(=O)(=O)C)nc4n(C5OCCCC5)cnc34	528
+O=S(=O)(c1ccc2CCCC(=O)c2c1)c3ccccc3	4990
+O=S(=O)(Cc1n(CCCCc2ccc(cc2)O)ccn1)C	991
+O=S(=O)(C)c1ccc2n(c(C)c(Oc3ccc(cc3)Cl)c2c1)CC(OC)=O	593
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4nc(ncc4)S(=O)(=O)C)C	528
+c1cc(ccc1F)Nc2nc(nc(CCO)c2)S(=O)(=O)C	528
+O=S(=O)(c1ccc(cc1)OC)c2c(cc(cc2Cl)Nc3nnc(N)[nH]3)Cl	4990
+c1cc(ccc1S(=O)(=O)C)C#N	593
+O=S(=O)(c1ccc(cc1)O)CC	593
+c1ccccc1-c2c(-c3nc(S(=O)(=O)C)ncc3)nc(s2)N	528
+O=S(=O)(C)c1nc(C=C2SC(=O)NC2=O)ccn1	528
+CC(SSc1ccccn1)CO	10327
+c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1	162
+c1ccccc1-c2c(cccc2Cl)SC	134
+S(c1c(cc(cc1)C)C(=O)O)c2csc3ccccc23	1
+S(c1c2c(nc(c1)C=O)c3c(c(OC)c2)cccn3)C	178
+S(c1cc(Oc2c(nccc2)CC)c(N)nc1)c3ccccn3	1779
+S(c1cc(ccc1CNC(c2c(O)c3ncccc3c(n2)C(=O)OC)=O)F)C	658
+S(c1cc(ccc1CNC(c2c(O)c3ncccc3c(C(=O)O)n2)=O)F)C	1
+S(c1ccc(CN)c(F)c1)C	107
+c1cc(ccc1Br)C(=O)Cc2ccc(SC)c(F)c2	10328
+S(c1ccc2OCCC(c2c1)(CC=O)C)C	24
+c1c2c(NCc3ccc4OCOc4c3)ncnc2ccc1SC	40
+c1cnccc1OCCSc2nc3nc(cc(n3n2)C)C	1175
+c1cc(ccc1F)CNC(C2=CN3C(S2)=C(C(=O)NC3=O)C)=O	10329
+C1N(c2c(S1)cccc2)C(=O)c3cc(c(OC)c(Cl)c3)I	448
+Nc1ccc2c(C(Nc3c(cccc3)S2)=S)c1	3120
+c1c2CCCC(Nc2ccc1)=S	2718
+Clc1cc2c(cc1)NC(c3ccccc3N2)=S	3120
+c1cc(ccc1-c2nnc(S)cc2)Cl	10330
+c1cc(ccc1-c2nnc(-c3ccc(cc3)C(OC)=O)s2)N4CCC(CC4)(CCCC)OC	10331
+c1c2ccccc2cc(C=3N(C)C(=S)NN=3)c1	10332
+c1cc(ccc1-c2nc(-c3c(cccc3)Cl)sc2)C#N	1741
+c1cc(ccc1-c2c(nc(-c3c(Cl)cccc3)s2)-c4ccc(cc4)C)SC	10333
+c1ccccc1-c2nc(sc2)-c3ccccc3[N+]([O-])=O	1741
+Fc1cc(OCCSc2nc3nc(C)cc(C)n3n2)ccc1Cl	2425
+c1ccccc1C2Sc3nnc(C)n3N=C2c4ccc5OCC(Nc5c4)=O	10334
+c1cc(ccc1)CC(O)C=CC2CCC(=O)N2CCCCSc3nnnn3C	10335
+c1(c(c(ccc1C)Cl)Nc2ccccc2C3=NNC(=S)O3)Cl	1770
+c12cnccc1CCc3ccccc3C2N=C=S	985
+c1c2c(ccn1)NC(N2)=S	10336
+c1(ccc2c(c1)NC(=S)N2)C	1357
+c1cc(ccc1-c2c(F)cc3c(NC(=S)N3)c2)-c4ccccc4	1357
+c1cc(ccc1C(c2ccc(cc2)OC)(c3ccccc3)OCc4cccc(CN=C=S)c4)OC	985
+C1CN(CCC1Nc2n(Cc3ccc(cc3)F)c4c(cccc4)n2)CCN=C=S	985
+c1cc(ccc1C=2OC(=S)NN=2)NC(=O)c3c(cccc3)F	1770
+c1ccccc1Oc2c(cccc2)C=3OC(NN=3)=S	1770
+N1C(=S)N2C=C(c3cnn(C)c3)C=C(C2=N1)F	10337
+N1c2cc(F)c(cc2NC1=S)-n3ccnc3	1357
+c1(C)nc(Cl)cc(CSC)c1	1672
+Brc1cccnc1SC	1272
+Clc1c(SC)ncc(C(=O)C)c1	1272
+S(C)c1ccc([N+]([O-])=O)cc1Cl	411
+C(c1cccc([N+]([O-])=O)c1)SC	1672
+c12c(cc(cc1)-c3cnc(cc3C)SC)cnc(N)c2	3482
+O=C(SC)c1cc(ccc1)C#C	10338
+S(c1cc(CO)nc2c1cc(c3c2nccc3)OC)C	1275
+c1nc2ccc(SC)cc2nc1O	2039
+c1(C=O)ccc(SC)c(F)c1	411
+c1cc(ccc1)-c2c(c(C(NC(CC)c3ccccc3)=O)c4ccccc4n2)CSC	4218
+c1cc(ccc1)C(c2ccccc2)CNc3c4c(nc(SC)n3)n(C5OCCCC5)cn4	1721
+c1cc(ccc1)Oc2c3c(c(c(n2)C)C)n(c(C)n3)CCCCCSC	1105
+c1cc(ccc1S)Oc2ccccc2	10339
+c1cc(ccc1CCSC)CCNc2c(c(CC)ncn2)C(OCC)=O	786
+c1cc(ccc1Cl)Nc2nc(SC)nc3n(CC)cnc23	1721
+c1cc(CSC)ncc1Br	3446
+C(C)OC(=O)c1cc2sc(nc2cc1)SC	10340
+c1c(Cl)ncnc1SC	2147
+Nc1nc2ccc(Cl)nc2s1	2153
+S(CC(c1c(c(F)ccc1)F)=O)C#N	4991
+c1ccc(C(=O)N=C=S)cc1C#N	10341
+NC(=S)Nc1cccc(C)c1	10342
+Nc1sc2c(n1)cc(c(OC)c2)Br	10343
+c1(C)cc2nc(N)sc2cc1OC	821
+c1ccccc1-c2cc(cc(-c3ccccc3)c2O)SC#N	2871
+c1cc(ccc1-c2ccc3nnc(n3c2)Sc4cc5c(cc4)nc(N)s5)F	821
+c1cc(ccc1C(CSC#N)=O)Br	4991
+C1CC2CCN1CC2Oc3nnc(-c4cc5sc(N)nc5cc4)cc3	821
+Nc1sc2cc(C#N)ccc2n1	821
+CC(C)(c1cccc(C(Nc2cc(ccc2C)Oc3ccc4nc(N)sc4c3)=O)c1)C#N	821
+n1cc(Sc2cc3sc(N)nc3cc2)n4c1nccc4	821
+c1ccccc1OCC(N2CCC(CC2)Cc3ccccc3)C(c4cc5sc(nc5cc4)N)O	821
+Nc1nc2ccc(OC)nc2s1	2153
+c1cc(ccc1[N+]([O-])=O)COC(=O)N2C(COCC(N)=O)CC(SC(C)=O)C2	4943
+c1cc(C(=O)OC)cc2OC(=S)Nc12	2872
+c1c2c(OC(=S)N2)cc(c1)O	2872
+c1c(OC)c(OC)cc2c1nc3sc(c(c3c2)N)C(=O)N	10344
+c1ccccc1COCC(Cc2nc(c3c(c(sc3n2)C(N)=O)N)-c4ccc(c(Cl)c4)Cl)C	3771
+c1(O)c2c(ncc(c2)[N+](=O)[O-])sc1C(=O)OC	10345
+c12nnc3CCCCc3c1c(N)c(C(=O)OC)s2	10346
+c1c(C(=O)OC)sc2c(F)ccc(OC)c12	1425
+c1c(cc2OCCc3c(sc(c3)C(=O)OC)-c2c1)Br	10347
+c1cc(ccc1OC)Sc2c3c(ccc2)sc(C(OC)=O)c3	4931
+C1CSC2(S1)c3c(c(Br)cc(c3CCC2)C)C	10348
+OCC(CC)CSc1ccccc1OC	3138
+c1nc2ccc(SCCCSc3ccnc(CSc4nccc(n4)C)c3C)nn2c1[N+]([O-])=O	4992
+Clc1c([N+]([O-])=O)cc(C)c(c1)C#N	2223
+C(c1c(c(Cl)ccc1)C#N)(=O)OC	180
+c1(C)c(C#N)ncc(CO)c1	10349
+c1(c(NC(C)=O)ccc(C#N)c1F)C	180
+COc1ccc(CC(OC)=O)c(C#N)c1	180
+COc1cc(ccc1C#N)F	180
+c1cc2CCN(CCc2cc1C#N)C(C)=O	2223
+c12c(Cl)cc(C#N)cc1C(OC(c3cc(Cl)nn3-c4c(Cl)cccn4)=N2)=O	1942
+c1cc2-c3ccc(C#N)cc3C(c2cc1Br)=O	180
+c1(ccc(cc1C#N)C(=O)OC)O	180
+c1cc(C)n(c1C)-c2cc(C)cc(CCc3cc(cc(Br)c3)C#N)n2	180
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)C#N	2223
+C(c1cc(C#N)ccc1N)C#N	180
+[nH]1c2cc(C#N)ccc2c(Sc3cc(ccc3)C(=O)OC)c1C	4993
+[nH]1c(c(c2cc(C#N)ccc12)C)-c3cnccc3	180
+O=C1C=Cc2ccc(C#N)cc2N1CC(OC)=O	180
+c1[nH]c2c(cc(C#N)cc2)c1CC(OC)=O	180
+C(C)OC(c1cc2c(ccc(C#N)c2)[nH]1)=O	180
+c12ccc(Cl)nc1ccc(C#N)c2	180
+c1c2c(nc(c1)O)cc(C#N)cc2	4993
+c1(NC(C)=O)ccc(cc1C#N)CCCC	180
+c1cc(ccc1)-c2ccc(C#N)cc2F	180
+c1cc(ccc1)Oc2cccc3c2c(O)c(nc3C#N)C(OC)=O	942
+c1cc(ccc1C#N)-c2nc3n(cc(cc3)C)c2	180
+c1cc(ccc1-c2ccc(cc2)C=O)C#N	180
+c1cc(ccc1C(OC)OC)-c2nc(-c3cc(C#N)c(OC(C)C)cc3)no2	180
+c1ccccc1CN2C(=O)C3C(Cc4ccc(cc4)C#N)N(C(C)(C)C3C2=O)C	180
+O=S1(=O)N=C(C2=C(C3C(N(Cc4ccc(cc4)F)C2=O)C5CCC3C5)O)Nc6ccc(C#N)cc16	10350
+c1cc(ccc1O)C(=C(CC)c2ccccc2)c3cc(C#N)c(OCCNC)cc3	180
+c1cc(ccc1Oc2cc3c(c(nc(C(OCCCC)=O)c3O)C#N)cc2)OCCC	942
+c1cc(ccc1Oc2c3c(ccc2)c(c(nc3C#N)C(=O)OC)O)OC	942
+n1c2c(c(O)nc1CCCC)cc(C#N)cc2	1942
+c1ccc2c(c1)C(=O)N(C2=O)C3CC(c4c(F)cc(c(c4)F)C#N)CC3	180
+c1ccccc1C2(CN(C(C)=O)c3cc(C#N)ccc23)C	180
+c1cc(ccc1)Oc2c3c(ccc2)c(c(C(=O)OC)nc3C#N)OC	942
+c1cnccc1-c2nc(C#N)c(nc2-c3ccco3)N	10351
+c1([N+]([O-])=O)ccc2[nH]nc(c2c1)C#N	10352
+c1(c2c(ccc(c2)Oc3ccc4ccccc4c3)c(O)c(C(=O)OC)n1)C#N	10353
+n1cc(cnc1N2CCC(CC2)O)C#N	10354
+c1cc(ccc1-c2ocnc2C(=O)OC)C#N	10355
+c1c(CC)c(c(cc1-c2ccc(cc2)Cl)CC)Br	1078
+c1cc(ccc1-c2oc3c(cc(c(N(S(=O)(=O)C)c4ccc(c(c4)CCO)Br)c3)C5CC5)c2C(NC)=O)F	1078
+c1c(cccc1OC)Oc2c(Cl)cc(F)c(Br)c2	1030
+c1cc(ccc1Oc2cc(Br)c(cc2Cl)F)OC	1030
+c1ccccc1C(=O)Nc2ccc(cc2)CN3C(=O)C(=CC3)CCC(NO[K])=O	909
+c1(ccc(C(C(C)=O)CC=C)cc1Cl)Cl	2555
+c1(nc(nc(OC)c1)NC(NS(=O)(=O)c2c(cccc2)C(C)=O)=O)OC	3139
+c1c(cc(c(N)c1)C(=O)C)Br	3139
+CC(=O)c1ccc(OC)c(N(CCC)c2nc(-c3c(cc(cc3)OC)Cl)c(C)s2)c1	3139
+c1cc(ccc1)-c2c(sc(C(C)=O)c2)C	4994
+c1cc(ccc1N2C(CC)=NC(CCC)=C(C2=O)Cc3ccc(cc3)-c4ccccc4C#N)C(C)(C)O	3129
+c1cc(ccc1C(C)(C)O)OC	3129
+c1ccccc1-c2cc(C(C)=O)sc2CC	4994
+c1cc(ccc1)COC(NC2C(NC(=O)OCc3ccccc3)CC(O)(C)CC2)=O	2799
+c1(c(Br)cccc1N2N=C(C(=O)C)C(=O)C(=C2)OC)F	1183
+c1cc(N2N=C(C(=O)C)C(=O)C(=C2)OC)c(F)cc1I	1183
+c1cc(ccc1-n2nc(cc2-c3ccc(cc3)Cl)CCC(C)(C)O)OC	3893
+c1cc(ccc1CC2(CCN(CC2)C(=O)C3CN(Cc4ccccc4)c5cc(c(C(C)O)cc5O3)Cl)C#N)F	4932
+c1ccccc1COc2cc(c(cc2)N3C=C(C(C(=N3)C(C)=O)=O)OC)F	1183
+Cc1cc(cc(C)c1CC(=O)C)Br	591
+C(C)(c1ccc(C)c(F)c1)O	449
+n1ccc2cccc(c2c1)C(=O)C	1024
+CC(C)(c1cc2c(C(CCC2)C)cc1OC)O	1033
+CC(C)(Cc1cccc(Br)c1)O	736
+OC(c1ccncc1Br)C	449
+c1c(Br)c(ccc1)OC(C(=O)C)CCC	591
+c1(Cl)cc(cc(Cl)n1)C(C)=O	1024
+c1c(F)c(c(cc1)F)-c2c3c([nH]c4c3CCC(C(=O)C)C4)c(C(=O)N)cc2	591
+c1cc(cc(c1)F)-n2c(cc3c(Cl)cccc23)C(C)=O	3140
+c1cc(c(Cl)nc1Cl)C(=O)C	10356
+c1cc(cc(c1)F)-n2c(C(=O)C)c(c3ccccc23)C#N	3140
+c1cc(ccc1)C2(CC(C2)C)c3c(C(O)C)ccc(OCc4ccc5cc(ccc5n4)F)c3	449
+C1CC(CCO1)(c2cc(OCc3ccccc3)cc(F)c2)C(C)O	684
+c1cc(ccc1)Cc2cc3c(cc2)oc(-c4c(cc(cc4)C(C)O)F)c3	449
+c1cc(ccc1-c2ccc(OC)c(c2)C(O)C)C#N	449
+c1cc(ccc1-c2nc3n(c2)cc(-c4c(F)ccc(C(C)O)c4)cc3)Cl	449
+c1cc(ccc1-c2nc3ccc(cn3c2)I)C(C)O	449
+c1cc(ccc1-n2c(cc(CCC(C)O)n2)-c3ccc(cc3)Cl)OC	684
+c1cc(ccc1C(C)(C)O)Br	1033
+c1cc(ccc1C(N2CC(C(=O)C)CC2=O)C)OC	591
+c1cc(ccc1)C(C(=O)C)Cc2ccc(cc2)Cl	591
+C1CC(CCC1OCC(=O)C)N2C(C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)n5ncnc25)=O	591
+c1(cccc(c1OCC=C)OCC=C)C(C)O	449
+C1CCCc2c(cccc2)C1(O)C	1033
+c1ccccc1C(O)(c2ccc(c(Cl)c2)Br)C	4995
+c1cc(ccc1)C(C(C)(C)C(C)O)c2ccc3n(-c4ccc(cc4)F)ncc3c2	684
+c1cc(ccc1)C(O)(c2ccc3c(cco3)c2)C	4995
+c1cc(ccc1)C2(CC(N(CC2)C(c3ccc(cc3)Br)C)=O)CC(C)(C)O	736
+c1ccccc1CN2C(C)COC(CC(O)C)(C)C2=O	684
+n1c(c(C(C)O)cc2c(Cl)cccc12)-c3cc(ccc3)F	2129
+n1ccnn1-c2c(C(=O)N3C(CCC(C(C)=O)C3)C)cccc2	591
+n1n(C)c(CC)cc1C(=O)C	3140
+c1(cc(C(CCCCCC)O)ccc1)Br	758
+c12c3c(cccc3)ncc1nc(CCC)n2CCCC(CCCCCC)=O	2851
+[N-]=[N+]=NC1CCc2c(C1)c(NC(C)=O)c(cc2Br)[N+]([O-])=O	31
+c1(F)c(cc[n+]([O-])c1C)[N+](=O)[O-]	2296
+c1(Cl)cc(C(=O)OC)c(OC)c(c1NC(C)=O)[N+]([O-])=O	31
+O(CC)C(C(C)c1cc2c(ccc([N+]([O-])=O)c2)[nH]1)=O	31
+c1(C)c(F)cc([N+]([O-])=O)c(NC(C)=O)c1	31
+c1([N+]([O-])=O)cc(C)c(NC(C)=O)cc1F	77
+c1(C)c(c(C)c([n+](c1)[O-])C)[N+]([O-])=O	2296
+Clc1c(C(=O)O)cc(F)c(C)c1[N+](=O)[O-]	77
+c1c(C)c(c(cc1-c2c(C)c3c([nH]2)ccc(c3)[N+](=O)[O-])C)O	31
+c1(C)cc(cc(C)n1)CCc2ccc(cc2)[N+]([O-])=O	77
+Cc1c(c(cc(C)n1)O)[N+]([O-])=O	475
+C(n1c(-c2c(c(ccc2C)[N+]([O-])=O)C)nc(c1Cl)Cl)CCC	31
+c1c([N+]([O-])=O)c(O)c(Cl)cc1C=O	31
+c1(c(CCCl)cc(c(O)c1[N+](=O)[O-])Cl)F	31
+c1(O)c(Cl)cc(c(N2N=NN(CCCF)C2=O)c1[N+]([O-])=O)F	31
+c1(F)c2c([nH]cc2[N+](=O)[O-])ncc1OCC	3141
+c1(cc(c(cc1Br)[N+]([O-])=O)O)F	31
+c1(F)c2c([nH]cc2[N+](=O)[O-])ncc1Br	3141
+c1(F)c2c([nH]cc2[N+](=O)[O-])ncc1Cl	3141
+c1(cc(cc(F)c1[N+](=O)[O-])O)F	31
+c1cc([N+]([O-])=O)c(cc1CC(OC)=O)F	31
+Nc1cc(ncc1[N+](=O)[O-])C(=O)OC	1026
+[N+](=O)(c1c([N+](=O)[O-])cc(c(C)c1)C(=O)O)[O-]	31
+[n+]1([O-])c(Cl)cc([N+]([O-])=O)cc1C	2296
+c1(c(ccc(c1[N+](=O)[O-])[N+]([O-])=O)Br)C	31
+[N+](c1cc(c(c(F)c1)F)C23C(C(CF)OC2)CSC(N)=N3)([O-])=O	31
+c1(O)c(C=O)cc([N+]([O-])=O)cc1F	31
+c1(c(cc([N+]([O-])=O)c(OC)c1OC(C)=O)C=O)Cl	31
+c1c([N+]([O-])=O)c(c(CC)c(c1F)F)F	77
+c1([N+](=O)[O-])c(Cl)c(cc2nc(c(OC)nc12)OC)Cl	4732
+c1(F)c(Br)cc(c([N+]([O-])=O)c1)C=O	31
+c1(c(F)c([N+](=O)[O-])c(Cl)c(C(=O)O)c1)C	31
+O=C(c1c(c(c(F)c([N+]([O-])=O)c1)F)F)O	31
+c1(C(=O)O)c(O)ncc(c1)[N+](=O)[O-]	1026
+c1(-c2ncccc2)n[nH]cc1[N+]([O-])=O	1733
+c1(oc2c(cc(c(O)c2[N+]([O-])=O)OC)c1)C(=O)OCC	10357
+O=C1OCCc2c(ccc([N+]([O-])=O)c2)N1C	77
+c1([N+]([O-])=O)ccc2N(C(Cc2c1)=O)C(CF)C	31
+[N+](c1cc2c(cc1)-c3ccc(cc3C2)CCC(=O)C)([O-])=O	77
+c1cc(ccc1C(NC2Cc3c(C2)cc(cc3)[N+]([O-])=O)=O)F	77
+[N+](c1cc(c2N(C(Cc2c1)=O)C)F)([O-])=O	31
+c1c([N+]([O-])=O)c(cc2c1N(O)C(C(=O)N2)=O)F	77
+c1cc(c(CC)c2c1NC(C2=O)=O)[N+]([O-])=O	31
+c1([N+]([O-])=O)c(F)ccc2cnccc12	31
+C(CC1CCc2cc([N+]([O-])=O)ccc2O1)C#N	31
+c1cncc2ccc(C)c([N+]([O-])=O)c12	31
+c1c(C)nc(cc1)-c2cc([N+]([O-])=O)cc(C)[n+]2[O-]	10358
+c1c(cc2ccc(OC)c([N+]([O-])=O)c2c1)Br	31
+c1(cc(OC)c(O)c([N+]([O-])=O)c1)C(=O)O	31
+c1c(C)c(c(cc1[N+](=O)[O-])C)NC(=O)OCCC	77
+c1(C)cc(cc(C)c1OC)[N+](=O)[O-]	31
+Cc1nc(OC)ccc1[N+]([O-])=O	475
+[N+](c1cc(COC(C)=O)c(c(F)c1)F)([O-])=O	31
+c1(ccc(Cl)c(c1Cl)CC#N)[N+]([O-])=O	77
+c1(cc(Cl)c(c(F)c1NC(C)=O)[N+]([O-])=O)F	31
+Oc1c(c(O)nc(COC)c1C(=O)OC)[N+]([O-])=O	475
+c1(cc(cc(OC)c1[N+]([O-])=O)Br)OC	77
+c1(c([N+]([O-])=O)cc2c(n(CC)c(I)c2C#N)c1)OC	77
+COc1cc(C(=O)OC)c([N+]([O-])=O)cc1OCC#C	31
+c1(ccc([N+]([O-])=O)cc1-c2nc(O)c3c(n2)c(CCC)ccn3)OCC	31
+COc1cc(C#N)c([N+]([O-])=O)cc1OCCOC	31
+COc1cc(C(=O)OC)c([N+]([O-])=O)cc1OCCOC	31
+[N+](c1cc([n+]([O-])c(C)c1)Br)([O-])=O	2296
+c1c(C#N)c(C)cc([N+]([O-])=O)c1O	77
+[N+](c1cc(c(c(F)c1)F)CC(=O)O)([O-])=O	77
+c1c(c(c(CC)c(c1)[N+]([O-])=O)[N+](=O)[O-])OC	31
+Clc1cc([N+]([O-])=O)c(O)cc1Cl	31
+c1(c(F)ccc([N+]([O-])=O)c1)-c2cc(C(=O)O)ccc2	77
+c1(C23C(CCSC(N)=N2)C3)c(F)ccc([N+]([O-])=O)c1	31
+COc1c(cc([N+]([O-])=O)c(C(=O)C)c1)CC	31
+c1c(C(CBr)=O)cc([N+]([O-])=O)c(c1OC)O	31
+[N+]([O-])(=O)c1c(cc(c(C(=O)O)c1)F)F	77
+[N+]([O-])(=O)c1cc(c(cc1F)Br)F	31
+Oc1c(cc(cc1Br)F)[N+]([O-])=O	31
+c1(C)cc(c([N+]([O-])=O)cc1F)Br	31
+c1([N+]([O-])=O)cc(C)c(Cl)cc1F	31
+c1(cc(Cl)c(cc1F)O)[N+]([O-])=O	31
+c1(c(NC=O)c(cc(c1)Br)[N+]([O-])=O)F	77
+c1c(cc2ncc([N+]([O-])=O)c(O)c2c1)Br	475
+[N+](c1cc(c(F)cc1F)CC(O)=O)([O-])=O	77
+c1c(OC)c(O)c([N+]([O-])=O)cc1C(=O)C	31
+CCc1c(Br)cc(c(N)n1)[N+](=O)[O-]	475
+c12ccc([N+]([O-])=O)cc1C(CCC23C(NC(CC3)=O)=O)=O	31
+c12CC3(N(C)C(=O)NC3=O)Cc1cc(N)c([N+]([O-])=O)c2	4996
+[N+](c1ccc2c(CCN(CC2)C(C)=O)c1)([O-])=O	31
+c1c(C(CCCCCl)=O)cc([N+]([O-])=O)c2OCCc12	77
+C1CC(=O)c2cc(Br)c(NC(C)=O)c([N+]([O-])=O)c12	31
+c12cc(Br)c(NC(C)=O)c([N+]([O-])=O)c1CCC2CCC(=O)O	31
+c12cc([N+]([O-])=O)ccc1CC2=O	77
+C1Cc2ccc([N+]([O-])=O)cc2NC1	77
+c1cc([N+]([O-])=O)cc2c1CCCCN2	31
+c12c(c(c(cn1)[N+]([O-])=O)O)cccc2	475
+[n+]1([O-])ccc(cc1CCC)[N+](=O)[O-]	10359
+c1(cc(C#N)c(Cl)cc1F)[N+]([O-])=O	31
+C1Cc2cc(c([N+]([O-])=O)cc2NC1)C	31
+c1cc(N2C(Nc3c(c(c(c(F)c23)F)[N+](=O)[O-])OC)=O)c(F)cc1I	31
+c1(F)c(F)cc(c([N+]([O-])=O)c1)O	77
+O(C(=O)OC)c1c(C)cc(c([N+]([O-])=O)c1)Br	77
+c1(cc(c(cc1F)C)Br)[N+]([O-])=O	31
+Cc1c(ccc([N+]([O-])=O)n1)O	3004
+c1(OC)c(OCc2c(F)c(ccc2OC)F)cc([N+](=O)[O-])c(c1)Cl	77
+c1([N+]([O-])=O)cc(c(Cl)cc1F)CC(=O)O	31
+c1([N+]([O-])=O)cc(cc(Br)c1OC)C#N	31
+c1([N+]([O-])=O)cc(OC(=O)OC)c(cc1F)CC	31
+c12C(=O)C(Nc1c(cc(c2)F)[N+]([O-])=O)=O	77
+c1cc(ccc1)-c2[nH]nc3cc(C)c([N+]([O-])=O)cc23	31
+c1cc(ccc1)-c2cc3c(cc2)c(c([N+](=O)[O-])cn3)O	475
+c1cc(ccc1)C(=O)Oc2ccc(c([N+]([O-])=O)c2)O	77
+c1cc(ccc1[N+]([O-])=O)C(C(O)=O)CC	77
+c1cc(ccc1C2CC(=O)N(C2C(OCC)=O)C)[N+]([O-])=O	31
+c1cc(ccc1CC(C(O)=O)N)[N+]([O-])=O	31
+c1cc(ccc1)COCC2CC(N(c3nn(cc3[N+](=O)[O-])C)C2)=O	4734
+c1ccccc1COc2c(cc(c([N+](=O)[O-])c2)Br)OC	77
+c1ccccc1COc2cc([N+](=O)[O-])c(cc2OC)C(C)=O	77
+c1cc(ccc1N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl)[N+](=O)[O-]	77
+c1cc(ccc1F)-c2oc3cc(c(Br)cc3c2C(=O)OC)[N+](=O)[O-]	2362
+c1(c(F)ccc(-c2nccc(OC)c2)c1)[N+]([O-])=O	4415
+CC(C)c1ccc(c(c1)[N+](=O)[O-])Br	31
+c1cc(ccc1C(=O)OCCCCO[N+](=O)[O-])[N+](=O)[O-]	10360
+c1c(ccc(N)c1[N+]([O-])=O)C(C)C(=O)O	31
+c1(ccc(C(=O)C)cc1[N+]([O-])=O)CC	31
+CC(C)c1c([N+](=O)[O-])cc(cc1)N	31
+C1CC1(c2cc([N+](=O)[O-])c(cc2)OC)C(=O)OC	77
+c1(c(F)ccc(c1)C2=C(C(NC2)=O)C)[N+]([O-])=O	31
+C1NC(=O)CC1c2ccc(Cl)c([N+]([O-])=O)c2	77
+c1c(cc(c(c1)CC)[N+]([O-])=O)Br	31
+C(c1ccc(CC)c([N+]([O-])=O)c1)(=O)O	31
+FC(F)Oc1n(nc(c1Cl)-c2cc([N+]([O-])=O)c(cc2)Cl)C	31
+Clc1c([N+]([O-])=O)cc(C(=O)c2ccccn2)cc1	77
+C1CCCCC1C(c2cc(c(cc2)Cl)[N+]([O-])=O)=O	31
+c1cc(ccc1-c2c(c3c(cc([N+](=O)[O-])c(Br)c3)o2)C(OCC)=O)F	2362
+C(C(c1ccc(c([N+]([O-])=O)c1)F)=O)CC(=O)O	31
+C1CCCCC1C(=O)c2ccc(F)c([N+](=O)[O-])c2	31
+c1cc(ccc1Cn2c(C(C)=O)cc(c2)[N+](=O)[O-])F	10361
+Nc1cc(c(cc1)CC)[N+]([O-])=O	31
+CC(C)C(=O)Nc1c(cc(cc1)C(=O)OCC)[N+](=O)[O-]	31
+C(c1ccc(c([N+]([O-])=O)c1)O)C(=O)O	31
+c1cc(c([N+]([O-])=O)cc1CCC)O	31
+C(CCCCCCCCCC)Cc1ccc(O)c(c1)[N+]([O-])=O	77
+n1c(NC)nc(Oc2ccc(c([N+]([O-])=O)c2)O)cc1	77
+c1cc(OC(C)=O)cc([N+]([O-])=O)c1OC	31
+c1cc(OC(OCC)=O)cc([N+]([O-])=O)c1OC	31
+Clc1cc(cc(Cl)c1Oc2ccc(c([N+](=O)[O-])c2)OC)N3C(=O)NC(C=N3)=O	77
+c1cc(ccc1C(OCC)=O)Oc2c(F)cc(F)c([N+]([O-])=O)c2	31
+c12c([nH]cc1)nccc2Oc3ccc(c([N+]([O-])=O)c3)O	31
+c1cc(ccc1S(=O)(=O)C)-c2cc([N+](=O)[O-])sc2-c3ccc(cc3)F	10362
+O=S(=O)(c1ccc(C)c(c1)[N+]([O-])=O)C	31
+O=S(=O)(Cl)c1cc(c(cc1)NC(=O)OCC)[N+](=O)[O-]	77
+c1cc(ccc1N=Nc2cc(c(O)c([N+]([O-])=O)c2)Cl)S(=O)(=O)F	31
+c1cc(ccc1S(=O)(=O)Nc2ccc(F)cc2[N+](=O)[O-])C	31
+c12c(CCCC1)cc(c(n2)O)[N+]([O-])=O	1026
+n1c2c(c3nc(O)c(nc3cc2[N+]([O-])=O)O)n(C)n1	10363
+c12c(C)cc(O)nc1c([N+]([O-])=O)cc(OC)c2Cl	3037
+c12CCCc1c(N)ccc2	4996
+c1c2c(CC3(C(NC(=O)N3)=O)C2)cc([N+]([O-])=O)c1	31
+C1Cc2c(CCC1=O)cc([N+]([O-])=O)cc2	31
+c1cc(c2c(sc3ccccc23)c1OC)[N+]([O-])=O	10364
+c1cc(ccc1-c2c3nccn3ccc2)[N+](=O)[O-]	77
+c1ccccc1-c2cc3c(c([N+](=O)[O-])sc3cc2)Br	10365
+c1cc(ccc1-c2cnc(O)cn2)[N+](=O)[O-]	77
+c1cc(ccc1[N+](=O)[O-])C23CN(CC2C3)C(C)=O	31
+c1cc(ccc1CCCF)[N+]([O-])=O	31
+c1ccccc1COc2cc(C=O)c([N+](=O)[O-])cc2OC	77
+c1ccccc1COc2c(c([N+]([O-])=O)c3C(CCc3c2)=O)O	31
+c1ccccc1COc2cc(C#N)c(cc2OC)[N+]([O-])=O	77
+c1ccccc1COc2c(c([N+]([O-])=O)cc(-c3ccc(cn3)C=C4SC(=O)NC4=O)c2)O	77
+c1ccccc1COc2ccc3c(c2)ncc([N+](=O)[O-])c3O	475
+c1ccccc1Oc2ccc(O)c([N+](=O)[O-])c2	31
+OP(O)(=O)c1cccc(c1)[N+]([O-])=O	31
+c1cnccc1-c2c(c(ccc2F)[N+](=O)[O-])F	31
+Brc1c(O)nc(C)c(c1)[N+](=O)[O-]	1026
+N#Cc1c(O)nc(C)c(c1)[N+](=O)[O-]	1026
+Fc1nc(F)c(cc1[N+]([O-])=O)F	475
+c1([N+]([O-])=O)ccc2c(c(C)cc(O)n2)c1	31
+c1(cc2c(cccc2[N+]([O-])=O)cn1)COC	77
+n1cccc(-n2cc([N+]([O-])=O)c(Cl)n2)c1	1733
+c12c(c(ccc1Cl)[N+]([O-])=O)nccc2	3037
+c1ccccc1COc2cc([N+]([O-])=O)c(CC(=O)OCC)c3c2cccc3	22
+n1nn2c(c(N)c(c3ccccc23)NCCOCCCc4cccnc4)n1	4997
+c1(cc(c([N+]([O-])=O)cc1OC)O)C	5
+Nc1cc(OC)c(CCNCc2c(cccc2)OC)cc1OC	0
+c12c(cccc1)C(=O)N(C2=O)CCCCSc3cc(cc(c3)N)[N+](=O)[O-]	0
+Nc1c(c([N+]([O-])=O)cc(C(=O)O)c1)C	0
+Nc1cc(Cl)nc(C(=O)OC)c1Br	912
+[N+]([O-])(=O)C=Cc1c(c(c(c(c1C)OC)C)C)OC	417
+c1cc(C=C[N+]([O-])=O)cc(C)c1OC	417
+C(C[N+](=O)[O-])c1cc(ccc1)OCC	10366
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)C=C[N+]([O-])=O	417
+Fc1c(ccc(C=C[N+]([O-])=O)c1)F	417
+c1cc(C=C[N+]([O-])=O)cc(c1OCc2cccc3ccccc23)OC	417
+c1cc(ccc1[N+]([O-])=O)C2C3C(CN(C(=O)CC)C3)C2	1564
+c1cc(ccc1)Cc2cc3c(C=C[N+](=O)[O-])c[nH]c3cc2	4766
+c1cc(ccc1C(C[N+](=O)[O-])CC(=O)OC)Cl	10367
+C(#N)COc1ccc(c([N+]([O-])=O)c1)O	1564
+c1cc(ccc1OCc2cscc2)C=C[N+](=O)[O-]	417
+C1Cc2c(CCC1=O)cc([N+]([O-])=O)cc2	1564
+c1ccccc1C2(CC2)c3nc4c(nc(-c5c(F)cc(cc5)C=C[N+]([O-])=O)s4)cc3	417
+c1ccccc1COc2c(C=C[N+](=O)[O-])ccc(C(C)C)c2	417
+C1(C(CC(CC1)O)c2cc(OC)c(cc2)OC)[N+](=O)[O-]	100
+c1c(c(c(F)cc1)C)CC[N+](=O)[O-]	364
+c1(c(c(c(OC)c(c1C)CC[N+]([O-])=O)C)C)OC	364
+c1c(c(CC)c(Br)cc1)CC[N+](=O)[O-]	364
+O=C(c1c(cc(c(c1)N)F)F)O	0
+c1ccc(Oc2nc(ncc2Cl)Cl)c(N)c1	0
+O=C(c1cc(n(n1)-c2c(cc([N+]([O-])=O)cc2)C(=O)N3Cc4ccccc4CC3CO)C)O	6
+c1cc(ccc1Oc2c([N+](=O)[O-])cc(c(Br)c2)F)OC	46
+c12n(nnc1c(cc3c2NC(C(=O)N3)=O)N)C	13
+OCC1Cn2c3ccccc3nc2-c4ccccc4O1	1118
+NC(=O)c1c(nc2c(cccc2)c1)N	10368
+c1ccc(C=C(C(=O)OCC)C)c(N)c1	0
+c1ccc(c(N)c1)OC2CCOC2	0
+[N+]([O-])(=O)c1ccccc1Oc2cc(ccc2)OC(C)C#N	143
+c1([nH]nnn1)C(Oc2cc(ccc2)Oc3ccccc3[N+]([O-])=O)C	1104
+c1(ccncc1N)Nc2ccc3c(c2)CC(C#N)C3	13
+c1cccc(c1N)-c2ccc(OC)c(OC)c2	0
+Nc1cnc(NCc2ncccc2)c(Cl)c1	13
+O=[N+](c1c(Nc2ccc(c(C)c2)C)cc(c([N+]([O-])=O)c1)O)[O-]	275
+Nc1cccc(c1C)C(=O)C	0
+c1c(CO)c(C)c([N+]([O-])=O)cc1	49
+Nc1c(c(ccc1)O)C	0
+c1cc(ccc1Cl)-c2ccccc2[N+]([O-])=O	11
+c1ccccc1COc2c(F)cc(c(F)c2)[N+]([O-])=O	57
+c1(c(c(c(F)c(F)c1F)N)N)F	0
+Nc1cc2cccnc2c(Br)c1	0
+c1cc(ccc1)-c2cc([N+](=O)[O-])cc3c2nn(C)c3	1009
+c1cccc(N)c1Oc2cc(c(C#N)cc2)C#N	10369
+C(O)c1cc([N+]([O-])=O)cc(F)c1F	59
+[N+](c1cc2c(c(F)c1)[nH]cc2)([O-])=O	1452
+O=C(OCC)Cc1c(F)cc(c(c1)N)F	0
+[N+](c1cc2c(nc(o2)C)c(c1)Br)([O-])=O	1692
+c1c(cc([N+]([O-])=O)cc1-n2nccc2)NC(C)=O	901
+c1c(cc([N+]([O-])=O)cc1-n2ncnc2)NC(C)=O	4998
+c1cc(ccc1N2CCN(CC2)C)Nc3nc(Oc4cc(Br)cc(c4)[N+]([O-])=O)c(CC)nc3C(=O)N	842
+c1cc(ccc1)COc2cc([N+]([O-])=O)cc(Br)c2	22
+c1-2c(c3c(cccc3)c(n1)O)Cc4cc(ccc-24)N	0
+c1-2ccc(cc1Cc3cc(ccc-23)CCC(=O)C)N	0
+Nc1cc2c(nc(o2)C)c(Br)c1	0
+c12CCN(CCc1cc(N)cc2)C(C)=O	0
+N1(CCc2c(CC1)cc(N)cc2)C	0
+Nc1c2[nH]ccc2ccc1	13
+Clc1ccc(N2CCC(C2)C(C)N)c([N+]([O-])=O)c1	18
+C(C=1N=C2N(C(=O)C=1c3cc(F)ccc3)C(=CS2)C)(C)N	1426
+C(CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C)(C)N	18
+C1Cc2cc(CC(C)N)cc(C#N)c2N1C(=O)C	18
+c1(C(C)N)cccc([N+]([O-])=O)c1	18
+c1c(cnc(C(C)N)c1)F	18
+C(c1cc(C)c(F)cc1)OCCCCC(N)C(OC)=O	4707
+C(C(N)c1ccc(nc1)OC)O	18
+[N-]=[N+]=NC(OCCO)COc1cccc(C(=O)O)c1	6
+C(N1c2cc(cc(F)c2C=CC1=O)F)CN3CC(O)C(CC3)N	18
+[N-]=[N+]=NC1CC(OC1CO)n2cnc3c2nc(nc3OCC)N	10370
+C1CC(c2cccc(C)c12)N	18
+C1c2c(cccc2F)NC(C(n3cc(-c4cc(OC)c(I)cc4)nn3)C1)=O	10371
+[N-]=[N+]=NC1CCc2c(ccc(c2)C#N)C1O	74
+C(=O)(CN1C(=O)C(N)CCc2ccc(OC)cc12)O	1584
+[N-]=[N+]=NC1CCc2ccc(OC)cc2N(C1=O)CC(=O)O	3
+c1cc2CCCC(N)c2cc1F	18
+C1(CCOc2c1ccc(C#N)c2)N	18
+c1ncc(-c2cc(Cl)c(C3=Cc4c(N(CC(CN)O)C3=O)nc(nc4)NCC)cc2)nc1C	18
+Clc1cccc(C(O)CN)c1	18
+[N-]=[N+]=NCc1ccc(nc1C#N)C	10372
+C1(C(Oc2c1cc(cc2Cl)Br)CN)O	18
+c1(cc2NC(=O)COc2cc1)N3CC(CC3=O)CN	18
+C1CC(C(=O)O)CC1CN	18
+[N-]=[N+]=NCC1CCC(C(=O)O)C1	4
+C1Oc2cccc(c2NC1CN)OC	18
+c12CCCc1c3c(CC(CN)O3)c(Cl)c2	18
+c1(F)cccc(F)c1-c2cccc3CC(CN=[N+]=[N-])Oc23	4738
+Clc1c2OC(CN)Cc2ccc1	18
+Oc1nc2c(C)cc3c(c2cc1)OC(CN)C3	18
+CC(C)CC(C(=O)NC(C(OC)=O)CCC(NCCCN=[N+]=[N-])=O)NC(C(NC(=O)OCc1ccccc1)CC#C)=O	188
+[N-]=[N+]=NCCCOc1ccc(cc1C(=O)O)C(=O)C	1
+N(C=O)c1scc(C(=NOCCN)C(=O)NC2C(=O)N3C(=C(CSc4n(C)nnn4)CSC23)C(=O)O)n1	18
+[nH]1cc(c2cc(ccc12)CCN)C#N	18
+[N-]=[N+]=NCCn1cnc2cc(C(=O)O)ccc12	1
+s1c2c(cccc2cc1-c3nc(ncc3F)NCCN4CCNC4=O)-c5c(CN)cnc(F)c5	18
+Clc1ccc(I)c(CN)c1	18
+C(c1ccc(CN)cc1C)CC(OC)=O	18
+C(c1ccc(C(=O)OC)c(Cl)c1)N	18
+C(c1ccc(CN)nc1Cl)(=O)OC	18
+Clc1ccc(CN)c(F)c1Oc2c(c(F)cc(c2)Br)Cl	18
+c1(Oc2c(Cl)ccc(CN)c2F)cc(cc(Br)c1)C#N	18
+C(c1ccc(c(c1)F)C#N)N	18
+c1cc(cc(F)c1CN)C(=O)OC	18
+c1c2CN=C(c2nc(C)c1)N	10373
+C1CCCC(n2c3cc(CN)ccc3cn2)O1	18
+C(c1ccc2c(nccc2)c1)N	18
+C(c1ccc2occc2c1)N	18
+c1c(c(OC)c(Br)cc1)CN	18
+C1OC(CCC1)OCc2c(cncc2Cl)CN	18
+c1(nc(CN)ccc1)N2CCCC2=O	18
+c1cc(-n2cnc(CN)c2)ncc1Br	18
+C(C)OC(c1ccc(N)c(C)c1F)=O	912
+C(c1cc(c(C)cc1)-n2nnc(-c3cnc(cc3)Cl)c2)(=O)O	3754
+C(c1c(nc(nc1N)C)Cn2ccnc2-c3cccc(F)n3)CC	1341
+C(C)OC(c1cc(c(N)c(C)c1F)F)=O	912
+c1(cc(cc(Cl)c1N=Cc2c(c(F)cnc2)N=[N+]=[N-])[N+](=O)[O-])Cl	3026
+c1nc2c(c(N)c1)c(OC)ccc2OC	912
+c1(nc(Br)cc(N)c1OC)C(=O)OC	912
+c1ccccc1OC(=Nc2cc(I)cc(c2)N=[N+]=[N-])NC#N	10374
+Nc1cc(nc(Cl)c1Cl)-c2cnco2	912
+c1cc(ccc1)-c2nnn(c2)-c3ccc(cc3C#N)-c4nccc(C(OC)=O)c4	2274
+c1c(cc(c(Nc2c(C(=O)OC)cnc(N)c2Cl)c1)Cl)Br	1341
+n1cccc2c(N)nccc12	1341
+[N-]=[N+]=NCCc1ccc2[nH]cc(c2c1)C#N	558
+C(N=[N+]=[N-])C1Oc2c(cc(C)c3c2c(c(c(n3)O)C)C)C1	310
+c1(cc(-c2nnn[nH]2)ccc1)C=O	1174
+N(Cc1ccccc1-c2nnsc2)=[N+]=[N-]	545
+C1c2c(Sc3cc(ccc3C1=O)Cc4[nH]nnn4)cccc2	1104
+c1(F)cc(cc(F)c1-c2cnccc2)N3C(OC(C3)CN=[N+]=[N-])=O	1445
+c1(c(c(ccc1)N2C(=O)NN=N2)C)Br	10375
+[N-]=[N+]=Nc1cc(Br)nc(c1OC)C(=O)OC	10376
+Clc1c(c(ccc1)N2C(=O)NN=N2)C	10377
+[N-]=[N+]=NCc1ccc2c(c1)OC(C=C2c3cc(F)ccc3)=O	545
+Ic1c(NC(Nc2c(cc(cc2)N=[N+]=[N-])O)=O)cccc1	615
+[N-]=[N+]=Nc1ccc(cc1C#N)-c2cc(ccn2)C(=O)OC	1870
+[N-]=[N+]=NCC1CC(N(c2cc3NC(=O)COc3cc2)C1)=O	600
+c1(cc2ncc(c(Nc3cccc(N=[N+]=[N-])c3)c2cc1OC)C#N)OC	615
+c1c(C)c(c(cc1)C)COc2cccc(-c3[nH]nnn3)c2	424
+c1c(-c2nc(-c3nnn[nH]3)ccc2)nc(s1)-c4ccc(c(OCC)c4)OCC	4832
+[N-]=[N+]=NCc1nc(ccc1)N2CCCC2=O	2297
+c12OCC(C)N3C=C(c4nnn[nH]4)C(=O)c(c13)c(N)c(c2F)F	10378
+N(=[N+]=[N-])Cc1cc2c(c(Cl)ccc2)nc1-c3c(cccc3)F	3336
+c1(CN=[N+]=[N-])nc2c(cccc2)c3ccccc13	2297
+[N-]=[N+]=NC1CCc2c(NC1=O)cc(OC)cc2	4999
+C1(c2c(C(=O)N1c3c(N=[N+]=[N-])cccc3)cccc2)=O	615
+c1cccc2CCc3c(cccc3)N(c12)CC(CN=[N+]=[N-])O	1648
+c1c(Br)cc2CCNC(=O)c2c1	10379
+[N-]=[N+]=NCc1nc(ccc1)Br	2297
+[N-]=[N+]=NC1CCc2cc(C#N)ccc2C1=O	10380
+[N-]=[N+]=NC(C)C(Nc1cccc(C(=O)C)c1)=O	4058
+[N-]=[N+]=NCc1ccc2occc2c1	545
+c1c(Cl)c(ccc1Cl)Oc2cc(c(Cl)cc2O)-c3nnn[nH]3	1174
+n1n(c(C)nn1)-c2ccc(I)cc2Cl	4307
+[N-]=[N+]=Nc1cc(ccc1)OCC(=O)O	615
+c1(-c2nnnn2C)cc([N+]([O-])=O)ccc1	3142
+c1c(c(C(=O)OC)cc(-c2nnn[nH]2)c1)OC	1174
+[N-]=[N+]=NCc1cc(c(F)cc1)Oc2cnccn2	10381
+c1c(CCN=[N+]=[N-])c([N+]([O-])=O)ccc1	310
+n1c2cc(F)cc(CN=[N+]=[N-])c2nc(OC)c1OC	2324
+c1(-c2nnnn2C)cc(ccc1)CCl	3142
+[N-]=[N+]=Nc1c2c(nc(-c3cc(F)ccc3)c1)ccc(c2)Br	1756
+C1CC(C(Nc2ccc3c(cccc3)c12)=O)N=[N+]=[N-]	4999
+C1(=O)c2c(C(=O)N1Cc3n(nnn3)Cc4ccccc4)cccc2	10382
+c1c2c(ccc1)N(CCN=[N+]=[N-])C(N2)=O	558
+c1c2ccc(-c3c(Cl)cc(-c4nnn[nH]4)cc3)nc2ccc1O	424
+c1c(-c2[nH]nnn2)cc3n1-c4ccccc4N(CC)C3=O	2915
+[N-]=[N+]=NCc1ncn(-c2ccc(Br)cn2)c1	5000
+[N-]=[N+]=NCc1ccc(C(=O)OC)c(Cl)c1	545
+[N-]=[N+]=Nc1c2c(ccc(c2ncc1)OC)OC	1756
+[N-]=[N+]=NCCCOc1ccc(cc1C(=O)OC)C(=O)C	310
+c1cc(ccc1)-c2c(C)nn(-c3ccc(cc3)CCN=[N+]=[N-])c2C	558
+c1cc(ccc1)-c2n(C3CCCCC3N=[N+]=[N-])cnc2C(=O)OCC	298
+c1cc(ccc1)-c2sc(c(CCN=[N+]=[N-])n2)C	133
+c1cc(ccc1)C(=O)NC2=NC3(COC(C(F)(F)C)C3CS2)c4c(F)ccc(N)c4	10383
+c1ccccc1C2CN(C(=O)CN=[N+]=[N-])c3ccccc23	10384
+c1ccccc1CC(CCCc2ccccc2C(=O)OC)N=[N+]=[N-]	298
+c1cc(ccc1)CCCCCCCCOCC(CN=[N+]=[N-])O	1648
+c1cc(ccc1)COC(=O)N2CCCC(CN=[N+]=[N-])C2	133
+c1ccccc1COC(NC2C(N(C(=O)OCc3ccccc3)CC2)CN=[N+]=[N-])=O	254
+c1cc(ccc1)COCCOC(C)CN=[N+]=[N-]	600
+c1cc(ccc1)COc2cc3c4c(CCCc4nn3CC(C)N=[N+]=[N-])c2	2135
+c1cc(ccc1)Cc2c3c(n(C)c2-c4ccccc4)ccc(-c5ccc(cc5)OCc6nnn[nH]6)c3	420
+c1cc(ccc1)Cc2cc3cc(ccc3nc2Oc4ccc(F)cc4C(C)=O)N=[N+]=[N-]	615
+c1cc(ccc1)Cn2c3c(nc2CN=[N+]=[N-])N(C)C(=O)N(CCCCC(O)C)C3=O	2902
+c1cc(ccc1)N2C(=O)CC(CN=[N+]=[N-])CC2	133
+c1cc(ccc1-c2ccc(c(-c3nnn[nH]3)c2)N)Cl	424
+c1cc(ccc1-c2cc(ccc2C)C(=O)NC3CC3)-c4oc(nn4)CN=[N+]=[N-]	10385
+c1cc(ccc1OCc2nnn[nH]2)-c3ccc4c(c3)c(CCCCC)c(n4C)-c5ccccc5	420
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(nc5c4cc(s5)CC)N=[N+]=[N-])=O	10386
+c1cc(ccc1-c2c(c(-c3[nH]nnn3)nn2-c4c(cc(Cl)cc4)Cl)C)Cl	10387
+c1cc(ccc1-c2[nH]nnn2)-c3csc(-c4c(cccc4)Cl)n3	424
+c1cc(ccc1-c2noc(-c3[nH]nnn3)c2)Oc4c(ccc(F)c4)Br	10388
+c1cc(ccc1-c2c(nc(CCCCCC(C)c3[nH]nnn3)o2)-c4ccc(cc4)Cl)Cl	420
+c1cc(ccc1-c2sc(cn2)C(Nc3nccc(n3)N4C(COC4=O)C(C)N=[N+]=[N-])C)Cl	298
+c1cc(ccc1-n2cnc(CN=[N+]=[N-])c2)N3C=CC=CC3=O	5000
+c1cc(ccc1C=2CC(CN=[N+]=[N-])ON=2)Br	133
+c1cc(ccc1-c2[nH]nnn2)-c3nc(c(O)cc3-c4ccc(cc4)F)O	424
+c1cc(ccc1-c2noc(-c3ccc(cc3)-c4[nH]nnn4)n2)-c5ccc(cc5)OCCCC(=O)O	424
+c1ccccc1-c2nc(sc2)-c3ccc(cc3)-c4[nH]nnn4	424
+c1cc(ccc1CCN=[N+]=[N-])C#N	600
+O=S(=O)(N1CCOc2ccc(cc12)C(Nc3ccc(cc3)-c4[nH]nnn4)=O)c5cc(Cl)ccc5OC	424
+c1cc(ccc1C(C)=O)CN=[N+]=[N-]	545
+c1cc(ccc1C#N)C(CCN=[N+]=[N-])n2ccnc2	133
+c1cc(ccc1C(Cc2ccccc2)N=[N+]=[N-])CCCC(=O)OC	10389
+c1cc(ccc1C)-c2cc(cc(C(OC)=O)c2)-n3c(C)nnn3	10390
+CC(C)COP(=O)(C)CC(O)CN=[N+]=[N-]	254
+[N-]=[N+]=NCC(O)c1cc(Cl)ccc1	254
+[N-]=[N+]=NCCCCC#C	254
+C(O)CCCCCN=[N+]=[N-]	254
+O=S(=O)(c1cccc2ccccc12)c3c4c(ccc(OCCCN=[N+]=[N-])c4)[nH]n3	254
+c1cc(ccc1-c2ccc(cc2)C3CCC(CC3)CCCC=C)C(N=[N+]=[N-])=O	10391
+c1cc(ccc1C=CC(=O)N=[N+]=[N-])C	10392
+c1cc(ccc1C(C)C)OC(Cc2ccc(cc2)OCCN=[N+]=[N-])(C)C(=O)OCC	133
+c1cc(ccc1OC)CC(C)(C)N	4972
+c1cc(ccc1)COc2ccc(cc2)CC(NC(CCCCCCc3ccccc3)=O)CCc4nnn[nH]4	1104
+c1ccccc1OC(Cc2ccc(cc2)OCCN=[N+]=[N-])C(OCC)=O	133
+c1(cc(cc(Cl)c1)N2C(C3(CC(N=[N+]=[N-])CN3C2=O)Cc4ccc(cc4)C#N)=O)Cl	298
+c1cc(ccc1-n2c3c(c(C)cc(C)n3)nc2CC)CCN=[N+]=[N-]	558
+c1cc(ccc1)-c2nc(CC)n(c2)-c3ccc(cc3)CCN=[N+]=[N-]	558
+c1cc(ccc1CCN=[N+]=[N-])CCOC2OCCCC2	133
+c1cc(ccc1CN=[N+]=[N-])CO	1298
+c1cc(ccc1Cl)C(c2ccc(cc2Cl)CN=[N+]=[N-])=O	545
+c1cc(ccc1Cl)CC(c2cccc(C#N)c2)C(N=[N+]=[N-])C	298
+c1cc(ccc1-c2ccccc2-c3[nH]nnn3)Cn4c(cc(C(=O)O)n4)CCCC	424
+c1cc(ccc1F)-c2c(C(OCC)=O)cc3cc(CN=[N+]=[N-])ccn23	2289
+c1cc(ccc1S(=O)(=O)N2C(c3ccc(cc3)F)CCC2c4nnn[nH]4)C	420
+c1cc(ccc1F)CCN2CCC(C(CN=[N+]=[N-])C2)C	133
+c1cc(ccc1N2C(OC(CN=[N+]=[N-])C2)=O)I	133
+c1ccccc1COC(=O)C(C(C)C)c2ccc(cc2)N=[N+]=[N-]	615
+c1cc(ccc1N2CCN(CC2)CCN=[N+]=[N-])[N+]([O-])=O	558
+c1cc(ccc1N2CCN(CC2)c3nc(c(-c4[nH]nnn4)s3)-c5ccccc5)OC	10393
+c1cc(ccc1-c2c(c(cc(Br)n2)C(OC)=O)N=[N+]=[N-])N3CCOCC3	5001
+c1cc(ccc1N=Nc2ccc(O)c(C(O)=O)c2)OCCCCCCCCN=[N+]=[N-]	310
+c1cc(ccc1-c2ccc(c(n2)O)C(O)=O)NC(=O)Cc3[nH]nnn3	10394
+c1cc(ccc1Nc2ncc(c(n2)O)Br)S(=N)(=O)C	10395
+c1cc(ccc1OC(C(OC)=O)c2ccccc2Cl)CN=[N+]=[N-]	545
+c1cc(ccc1CCCCN=[N+]=[N-])OC	254
+c1cc(ccc1S(=O)(=O)N(CCc2ccc(cc2)OC)CCC(=O)OC)-c3[nH]nnn3	424
+c1cc(ccc1OCc2nnn[nH]2)-c3cc4c(c(n(C)c4cc3)-c5ccccc5)C	420
+c1cc(ccc1OCc2nnn[nH]2)-c3ccc4n(Cc5ccccc5)c(C)c(C)c4c3	420
+c1cc(ccc1-c2c(C#N)c3c(n2CC)cc(cc3)OC)OCCN=[N+]=[N-]	310
+c1cc(ccc1OCCCc2[nH]nnn2)CCCCNC(=O)OCc3ccccc3	420
+c1cc(ccc1OCCCCN=[N+]=[N-])C=Cc2nc3c(C(N(C(N3CC)=O)CC)=O)n2C	310
+c1cc(ccc1OCCN=[N+]=[N-])CCC(=O)OC	558
+c1cc(ccc1OCCN=[N+]=[N-])CC(C)(CCCc2ccccc2)C(=O)OCC	133
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN=[N+]=[N-]	254
+c1cc(ccc1OCCc2nnn[nH]2)OCc3nc4c(cc3)cccc4	1104
+c1cc(ccc1)COC(N2CC(CC)C(C2)N=[N+]=[N-])=O	2780
+c1cc(ccc1)COC(N2CC(CN=[N+]=[N-])C(=NOC)C2)=O	254
+[N-]=[N+]=NCC1Oc2c(-c3ccsc3)cc(Cl)cc2C1	254
+[N-]=[N+]=NCC1Cc2c(O1)c3c(CCC3)cc2Cl	254
+Cc1ccccc1-c2c(ccc3CC(CN=[N+]=[N-])Oc23)F	254
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCN=[N+]=[N-])C3	254
+O(CCN=[N+]=[N-])CCOCCOCCOC	254
+c1cc(ccc1[N+](=O)[O-])OCCOCCOCCOCCN=[N+]=[N-]	254
+c1cc(ccc1[N+](=O)[O-])-c2nnnn2C	3142
+c1n2C(c3c(N=c2ccc1-c4nnn[nH]4)sc(CC)c3)=O	2915
+C(OC)(c1ccccc1-c2ccc(nc2)CN=[N+]=[N-])=O	2297
+c1ccc2c(c1)c3c(cccc3)n2CCCN=[N+]=[N-]	133
+c1ccc(OCc2nc3c(cccc3)cc2)cc1COc4cc(ccc4)-c5[nH]nnn5	424
+c1c2CCCC(Nc2ccc1)=O	10396
+c1cc(ccc1)-c2c(C(OC)=O)c3c(nc2C(C)N=[N+]=[N-])ccc(F)c3	10397
+c1ccccc1-c2n(c3cccc(-c4ccc(cc4)OCc5nnn[nH]5)c3c2C)Cc6ccccc6	420
+c1ccccc1C(N2C(C(CC2)CN=[N+]=[N-])C(OC)=O)C	1445
+c1cc(ccc1)C(C2CC(=O)N(C2)C(C)c3ccccc3)N=[N+]=[N-]	10398
+C1CCCCC1C(c2ccccc2)CN=[N+]=[N-]	600
+c1ccccc1C(NC=2C=CN(C(N=2)=O)C3OC(CN=[N+]=[N-])C(O)C3O)=O	600
+c1ccccc1C(c2ccc(OCc3nnn[nH]3)c(Cl)c2Cl)=O	420
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)CN=[N+]=[N-]	133
+c1ccccc1C(c2ccccc2)C3CC(N=[N+]=[N-])CCO3	298
+c1ccccc1C2(CC(C2)C)c3c(C(=O)CN=[N+]=[N-])ccc(OCc4ccc5cc(ccc5n4)F)c3	3396
+c1ccccc1C2CCC(CC2)CN=[N+]=[N-]	1445
+c1ccccc1CC(=O)c2c(-c3cc4ccc(c(c4cc3)Br)OCc5[nH]nnn5)sc6ccccc26	420
+c1ccccc1CC(NC2=CC(N(CCC(CN=[N+]=[N-])F)C=C2)=O)=O	310
+c1ccccc1CN2C(C)=CC(C3=C2N(C)C(N(CCCCC(C)N=[N+]=[N-])C3=O)=O)=O	298
+c1ccccc1COC(N2C(Cc3c(C2)[nH]c4ccccc34)c5[nH]nnn5)=O	420
+c1ccccc1COC(=O)NC(CN)COC	4154
+c1ccccc1COC(N2c3c(cc(cc3)N4CC(OC4=O)CN=[N+]=[N-])CCCC2)=O	133
+c1cc(ccc1)COCC(CN=[N+]=[N-])O	1648
+c1ccccc1COCCCC(C)(C)COS(=O)(=O)CCCN=[N+]=[N-]	558
+c1ccccc1COc2ccc(-c3[nH]nnn3)c(OC)c2	424
+c1ccccc1COc2ccc(C(CN=[N+]=[N-])O)c3SC(=O)Nc23	310
+c1ccccc1COc2ccc(cc2)-c3c(c(cc(Br)n3)C(OC)=O)N=[N+]=[N-]	5001
+c1ccccc1COc2ccc3c(OC(C=C3CN=[N+]=[N-])=O)c2	10399
+c1cc(ccc1)N2C=C(CN=[N+]=[N-])C(=O)c3c2cc(cc3)Cl	10400
+c1ccccc1Nc2c3ccccc3nc(CN=[N+]=[N-])n2	2902
+[N-]=[N+]=NCC(CN1c2nc(SC)ncc2C=C(C1=O)c3c(Cl)cc(-c4nc(cnc4)C)cc3)O	1648
+N(=[N+]=[N-])CC1C(C(O)C(n2c3c(c(nc(N)n3)O)nc2)O1)O	1445
+n1c2c(c(O)nc1CCCC)cc(-c3nnn[nH]3)cc2	424
+[N-]=[N+]=Nc1cc2nc(Cn3ccnc3-c4cc(ccc4F)F)n(c2cc1)CC	615
+[N-]=[N+]=NCc1ccc2c(nccc2)c1	545
+c1nc(ncc1-c2nnn[nH]2)N3CCC(CC3)O	10401
+[N-]=[N+]=Nc1nccc2ncccc12	10402
+FC(F)(c1ncccn1)CN=[N+]=[N-]	1445
+c1cc(ccc1CN(C(=O)N(N=O)CCCl)C2C(O)C(O)C(O)CO2)OC	2591
+c1c(ccc(Oc2cc(c(cc2Br)[N+]([O-])=O)C)c1F)F	304
+c1(C)cc(c([N+]([O-])=O)c(C)c1[N+](=O)[O-])N	106
+c1ccc([N+]([O-])=O)c(Sc2c(C(=O)O)cccc2)c1	815
+c1(OC)cc(C)c(Nc2ccccc2[N+]([O-])=O)cc1	275
+c1(cccc(Nc2ccccc2[N+]([O-])=O)c1)-c3cnc4n3ccc(c4)C	275
+Fc1c(Nc2c([N+]([O-])=O)cccc2)cccc1	275
+c1cc(ccc1Oc2ccccc2[N+](=O)[O-])-c3cn(c4ncnc(N)c34)C(C)C	46
+c1cc(ccc1Cl)Sc2ccccc2[N+]([O-])=O	815
+c1c(Nc2c([N+]([O-])=O)cccc2)c(ccc1)C	275
+Fc1c(ccc(N)c1)Oc2c3cc(c(OC)cc3ncc2)OC	0
+c1c(NCc2cnccc2)c(ccc1)[N+]([O-])=O	205
+c1cc(ccc1)C2Cc3c(ccc(Oc4c(cccc4)[N+]([O-])=O)c3)C2	415
+C1(=C(N(N(C1=O)c2ccccc2F)C)C)N	3846
+C(CN)c1cc(F)c(cc1)F	157
+c1(cc(CCN)ccc1OCc2cccc3ccccc23)OC	157
+c1(c(c(Cl)c(Cl)c(c1Cl)Cl)[N+]([O-])=O)N	0
+n1(nc(-c2ncccc2)cc1)-c3ccc([N+]([O-])=O)cc3F	926
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c[nH]nc3cc2Br	46
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c[nH]nc3cc2	46
+c1cc(ccc1Cn2nc(c3ccccc23)Oc4c(cc([N+]([O-])=O)cc4)F)OC	10403
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c(nn(C4CCCCO4)c3)cc2Br	46
+c1cc([N+]([O-])=O)cc(F)c1Oc2cnc(OC)cc2	551
+c1cc(P(OCC)(C)=O)c(OCC)cc1N	0
+Nc1c(ccc([N+]([O-])=O)c1)CC	0
+c1c([N+]([O-])=O)cc([N+]([O-])=O)c(Sc2c(cccc2)N)c1	825
+O=[N+](c1cc(cc([N+](=O)[O-])c1)C(C)O)[O-]	74
+S1c2cc(C#N)ccc2C=Cc3cc(N)ccc13	0
+c12c(cccc1)Sc3c(C(N2)=O)cc(N)cc3	0
+c1(cc(N)ccc1NC(Nc2ccccc2I)=O)O	0
+c1(ccccc1CNc2ccc3c(n2)ccc(N)c3)OC	0
+c1cccc(NCCCCCCCCCCCCCCCCCC)c1N	0
+c1n(CCCN2c3c(cccc3)CC2)ncc1N	209
+c1n(CCn2nccc2)ncc1N	209
+C1C2(c3c(O1)ccnc3O)c4ccccc4N(CCCCC)C2=O	10404
+C=1c2c(nc(O)cc2)C(c3ccccc3C=1)=O	10405
+O=Cc1ccc([N+]([O-])=O)cc1C	5002
+c1cc(ccc1)CN(CC=O)S(=O)(=O)c2c(cccc2)[N+]([O-])=O	2775
+c1cc(ccc1C=O)C2(CC2)C#N	5002
+c1ccccc1C(N2C(=O)CC(C2)(COC)CCO)C	10406
+c1cc(ccc1)C(O)(C)CCO	10407
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(-c5ccnc(c5)C)c6cc(c(cc46)[N+](=O)[O-])CC=O	1981
+Clc1cnc(c(C)n1)C(=O)OC	2903
+c1c(cc2c(ccnc2c1)S)Br	10408
+c1cc(ccc1OCCO)-c2c(c(nc(c2C#N)OCC)S)C#N	3985
+c1cc(ccc1-c2ccc3C(=CC=4[Se]C(C)=C(C=4)C(=O)O)C(=O)Nc3c2)OC	10409
+c1cc(ccc1-c2ccc(C=3[Se]C=CC=3)c(F)c2)CC	10410
+Cc1cccc(C)c1-c2nc3ccc(cn3n2)C(OC)=O	10411
+O(C)CCCCOc1cc(CO)ncc1	813
+c1(C)nc(Cl)cc([N+]([O-])=O)c1	174
+c1(cc2cccc(C)c2nc1Cl)[N+]([O-])=O	2298
+CCCCOc1ccnc(c1C)COC(=O)C	174
+OCc1ccc(cn1)C(=O)OC	813
+Cc1c(-c2ncccc2)nc(cc1)COC(C)=O	174
+CCOc1c(Cl)ncc(Br)c1	174
+[nH]1c(C(=O)NC2CCN(CC2N=[N+]=[N-])c3sc(C(OC)=O)cn3)c(Cl)c(c1C)Cl	641
+[nH]1c(C(NC2CCN(CC2n3nncc3)c4sc(cn4)C(=O)O)=O)c(Cl)c(c1C)Cl	1
+[nH]1c(C(NC2CN(c3cccc(C(=O)O)c3)C2=O)=O)c(Cl)c(c1C)Cl	1
+c1cc(ccc1)C(CNC(=O)c2ccc3nc(C)[nH]c3c2)=O	10412
+c1ncoc1-c2cc3ccccc3[nH]2	4936
+c12c(ccnc1cc(OC)c(Br)c2)Nc3n[nH]c(c3C)C	10413
+C1(Nc2ncc(C=CC(=O)N(C)Cc3[nH]c4c(c3CC)cccc4)cc2OC1)=O	404
+c1ccc(cc1C(=O)OC)OCCn2c(-c3cnccc3)c(c4cc(C#N)ccc24)C	339
+c1ccccc1NC(NCCc2nnc3N(CCCCC)c4nc(Br)[nH]c4C(=O)n23)=O	282
+c1cc(ccc1C(NCCc2n3C(=O)c4[nH]c(Br)nc4N(CCCCC)c3nn2)=O)OC	14
+C(n1c(Br)nc2c1C(NC(=O)N2C)=O)c3ccccc3Br	371
+c1cc(ccc1Cl)Cn2c(Br)nc3N(C(NC(=O)c23)=O)C	371
+c1ccccc1CNC(=O)c2cc3c4c(C(CCC4)=O)[nH]c3cc2	14
+[nH]1c2C(NC(CCCO)Cc2c3cc(OC)ccc13)=O	95
+c1cc(ccc1Cn2c3c(C)cccc3c4c2CCCC4=O)F	190
+c1cc(ccc1)Cn2c3c(c4c2CCCC4=O)cccc3F	190
+c1(SCC=2N(c3ccccc3OC)C(=O)c4c(Cl)cccc4N=2)ncnc5nc[nH]c15	3031
+[nH]1c2c(c(C(=O)c3c(F)c(N)ccc3F)c1)cc(Br)cn2	2622
+c1cc(ccc1S(=O)(=O)n2cc(C(c3cc([N+]([O-])=O)ccc3)=O)c4cc(cnc24)-c5cccnc5)C	276
+c1(cccc([N+]([O-])=O)c1F)C(c2c[nH]c3c2cncn3)=O	814
+[nH]1cc(c2c1ncnc2Cl)C#N	1453
+O=S(=O)(n1ccc2c(ncnc12)Cl)c3ccc(cc3)C	276
+O=S(=O)(n1ccc2c3c(cnn3C)cnc12)c4ccc(cc4)C	276
+c1cc(ccc1)COC(=O)C2Cc3c(CC2)[nH]c4c(Cl)cccc34	283
+c12c(ncnc1nc[nH]2)NC(C)c3c(nc4c(c3)c(Cl)ccc4)-c5ncccc5	2042
+Cc1n(-c2cn(nc2)CC)c3cc(C#N)ccc3c1Sc4cc(ccc4)C(=O)OC	1865
+c1[nH]c2c(ccc(C)c2)c1CN	5003
+[nH]1c(nc2cc3C(=O)N(Cc3cc12)C)-c4c(ccnc4O)NC(Cc5cc(ccc5F)F)C	1598
+c1cc(ccc1S(=O)(=O)OCC2CN(C3C(c4cccc5[nH]cc(C3)c45)C2)C)C	36
+c1cc(ccc1Cn2c3c(c4ccccc24)C(=O)CCC3)C(OC)=O	190
+c1cc(ccc1S(=O)(=O)n2ccc3c(nc(Cl)nc23)Cl)C	276
+[nH]1c2c(c(C(=O)c3cc([N+]([O-])=O)ccc3)c1)cc(cn2)-c4cnccc4	814
+[nH]1c2c(c(C(=O)c3c(c(NC(OC)=O)ccc3F)F)c1)cc(Br)cn2	814
+[nH]1cc(c2c(-c3ccc(C)cc3C)ccnc12)C#N	1453
+c1cc(ccc1)S(=O)(=O)n2ccc3c(ccnc23)Br	276
+c1cc(ccc1Oc2ccnc3c2cc[nH]3)OCc4ccccc4	10414
+c1c2c(ccc1)nccc2-n3c4c(ccc(OC)c4)c(c3)C(OC)=O	5004
+[nH]1cc(c2c(N)cccc12)Cl	0
+O=S(=O)(c1ccc(cc1)C)n2cc(I)c3c(nc(Cl)nc23)Cl	276
+c1ccccc1-n2c3ncnc(Cl)c3c(I)c2	5005
+O=S(=O)(n1c2c(c(I)c1)cc(C(=O)O)cc2)c3ccc(cc3)C	367
+[nH]1cc(Cl)c2c(N=C=S)cccc12	1695
+O=S(=O)(Nc1ccc2c(c(C(=O)C)c[nH]2)c1)c3ccccc3	69
+[nH]1cc(c2cc(N)ccc12)C(=O)C	0
+c1cc(ccc1C2CCC(=O)NC2)C(=O)NCCc3ccc4c(c(C#N)c[nH]4)c3	14
+[nH]1c2ncc(-c3cnccc3)cc2c(C(O)c4cccc([N+]([O-])=O)c4)c1	1235
+c1ccccc1CN(Cc2ccccc2)c3c(c(C(O)c4c[nH]c5c4cc(-c6cnccc6)cn5)c(cc3)F)F	1235
+c1cc(ccc1CCO)-n2ccc3cccnc23	4520
+c1ccccc1S(=O)(=O)n2c3c(cccn3)cc2	276
+c1cc(ccc1CCCn2ccnn2)OCc3ccccc3	10415
+c1cc(ccc1Cl)Oc2ccc(C(CC)(O)Cn3cncn3)c(Cl)c2	10416
+n1ccnn1CCOc2cc3cc4ncc(c(Nc5c(cc(c(c5)OC)Cl)Cl)c4cc3cc2OC)C#N	10417
+c1ccccc1-c2nnc(CCC(NNC3=NC(=O)c4nc[nH]c4N3CCCCC)=O)o2	355
+c12c(ncnc1nc[nH]2)NC(C)c3cc4c(c(Cl)ccc4)nc3-c5nnc(C)s5	516
+n1c(-c2ncccc2)c(cc3ccsc13)C(C)Nc4c5[nH]cnc5ncn4	516
+c1cc(ccc1NC(=O)c2c(cn[nH]2)[N+](=O)[O-])F	187
+Nc1c(n[nH]c1)C(=O)OC	209
+c1c(cc(-n2nc(C)cc2)c(c1)Br)Br	926
+Fc1cccc(F)c1-n2ccc(n2)C	901
+n1cc(cc(-n2nc(C)cc2)c1)F	10418
+Nc1c(F)cc(cc1)-n2nc(C)cc2	568
+c1c(C)nc(Cn2ccc(NC(C)=O)n2)cc1	10419
+n1n(ccc1[N+]([O-])=O)-c2ccc(c(C)c2)C	901
+c1([N+]([O-])=O)ccn(-c2cc(c(cc2)Br)OC)n1	568
+c1cc(ccc1C#N)Cn2nc(cc2)[N+](=O)[O-]	309
+c1cc(ccc1)C(CNC(CC)=O)Nc2cncc(-c3ccc4c(c3)c(F)[nH]n4)c2	1806
+c1cc(ccc1[N+]([O-])=O)Cn2ncc3cnc(SC)nc23	10420
+c1c(cc2nn[nH]c2c1)CO	98
+c1c(C)c(c(cc1OCOC)C)-c2cccc(c2C)COc3cc-4c(cc3)C(c5ccccc-45)=O	57
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3CCc4nncn4-c5c3cccc5	448
+Nc1cc(-c2[nH]ccn2)ccc1C	0
+c1(-c2n(Cc3nc4ccccn4c3CCC)ccn2)cc(ccc1)C#N	2238
+c1(nn2c(-c3c(Cl)cc(OC)cc3)cccc2c1N)CC	209
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(c2)I)-c3cc(F)ccc3	8
+c1(cccc(Cl)c1)-c2cc(cc(-c3cccc(Cl)c3)c2O)C(=O)NCC4(CC4)COCCCCc5ccccc5	241
+c1cc(ccc1O)CCNc2nc(-c3cccc(CN4CCNCC4C(O)=O)c3)ccn2	96
+c1c(Nc2c(C(O)=O)c(-c3ccccc3F)cnc2)c(F)cc(I)c1	1
+c1cc(ccc1)COC(NCC2CN(CC2)c3c4cc(ccc4nc(-c5ccccc5O)n3)F)=O	54
+c1ccccc1NC(=O)c2cccc(-c3ccnc4n3ncc4C(c5sccc5)=O)c2	67
+c1c(N)cc(-c2ccnc3n2ncc3C(=O)c4sccc4)cc1	0
+c1(-c2ccnc3n2ncc3C(=O)c4sccc4)cc(C(=O)O)ccc1	1
+c1(-c2cn(CCc3ccccc3Cl)cn2)nccc(C#N)c1	274
+C(O)c1ccnc(-c2cn(Cc3ccccc3Cl)cn2)c1	49
+Nc1cc(-c2cn3nc(ccc3n2)Cl)ccc1C	0
+c1(-c2cnccc2)nc(Oc3cccc(C#N)c3)c(cn1)C(=O)O	6
+c1(-c2cnccc2)nc(Oc3cccc(C#N)c3)c(cn1)C(=O)OCC	185
+c1c(N)cc(-c2csc(n2)-c3cncnc3N)cc1	0
+c1(ccnc(-c2nc(C)cs2)c1)C=O	39
+c1(-c2nc(C)cs2)nccc(CO)c1	98
+c1ccccc1CNc2c(C#N)c(-c3ccc4OCOc4c3)nc(N)n2	10421
+c1(-c2nc3c([nH]2)ncc(N)c3)c(Cl)ccc(NC(=O)c4occc4)c1	13
+c1(-c2nc3c([nH]2)ncc(c3)Br)c(Cl)ccc(N)c1	0
+c1c(N)cc(-c2nccc(OC)c2)cc1	0
+c1(c(-c2ncccc2)cc(c(c1N)F)Br)I	0
+c1(cc(CO)c[nH]1)-c2ncccc2	351
+Nc1c[nH]nc1-c2ncccc2	209
+c1(-c2nnnn2C)cc(ccc1)N	0
+c1cc(ccc1)OC(=O)Nc2cc(-c3n(nnn3)C)ccc2	90
+c1cc(ccc1CC(C)(C)C(N2CCCC(CNC(=O)Nc3cc(-c4n(nnn4)C)ccc3)C2)=O)F	10
+c1(-c2noc(n2)C)ccc(C)c(NC(=O)c3n4c(nc3)ccc(Br)c4)c1	466
+n1c(cnn1Cc2nc(co2)COC)NC(=O)c3c(-c4cc(C)ccc4)oc(n3)C	10422
+c1ccccc1-c2c(c(F)ccc2)C#N	11
+s1c(Br)c(C(Nc2c(cc([N+]([O-])=O)cc2)O)=O)cc1C	10423
+c1(Br)c(C)c(C(=O)O)no1	6
+C=1C(=O)N(c2c(cnc(n2)SC)C=1)Cc3ccccc3Br	10424
+c1cc(ccc1Oc2ccc(cc2)CN(Cc3c(cccc3)Br)c4c(c(ccc4)[N+]([O-])=O)C)CCC(OC)=O	507
+C1CN(CCN1Cc2c(cccc2)Br)c3ccc(cc3)C(OCC)=O	131
+O(C(=O)CCc1cncn1Cc2ccccc2Br)C	10425
+c1cc(ccc1)COc2nc(c(Cl)cc2)Br	430
+c1cc(ccc1)-c2cccc(N)c2C#N	11
+c12c(Cl)nccc1c(Br)ccc2	174
+c1c(C)oc(c1)CNc2ccc3c(Br)cccc3n2	554
+c1c(Br)cc(cc1N)Br	0
+c1c(Br)cc(cc1OCc2ccc(cc2)OC)Br	1118
+c12c(CCN(C1=O)c3cc(cc(Br)c3COC(C)=O)F)n4c(CCCC4)c2	1464
+c1(Br)cc(cc(Br)c1)[N+](=O)[O-]	480
+CC(C)c1c(OC)cc(c(Oc2c(Br)cc(cc2Br)CC(OC)=O)c1)C(c3cc(C)ccc3)=O	222
+[nH]1c(CCCCCCC(OC)=O)nc2cc(ccc12)Br	791
+Cc1cccc(C)c1-c2cccc(C(=O)OC)c2C	11
+c1(cc(cc(C)c1-c2cccc(c2C)C(OC)=O)OCOC)C	11
+C(O)c1c(cccc1Br)OC	49
+c1c(CO)c(c(Br)cc1)C	49
+c1cc(ccc1Oc2ncc(Br)s2)O	4960
+c1cc(ccc1Nc2ccc(cn2)-c3n(CC)ccn3)Cl	4795
+COc1cc2c(C)coc2cc1	10426
+c1(C(=O)C)c(ccc(OC)c1)OCC(=O)O	4
+c1(cccc(OCc2cc(c(cc2)Cl)Cl)c1)C(=O)COc3c(ccc(C#N)c3)F	702
+Oc1c(cccc1)N(C(c2cc(c(cc2)Cl)Br)=O)C	5
+c1cc(ccc1)CCN2CCc3c(ccc(Oc4ncc(C(N)=O)cc4)c3)CC2	28
+c1(c2ccc(cc2sc1CC)Oc3c4c(ncc3)cc(C(=O)N5CC(CC5)OC)s4)C(NC)=O	680
+Cn1c2ccccc2c(CNC)c1	3143
+c1ccccc1COC(=O)NCC2CCCC(C2)NC(c3c(onc3-c4c(cncc4)F)C)=O	5006
+c1cc(ccc1CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O)[N+]([O-])=O	259
+c1ccccc1COc2ccc(Cl)cc2Cn3cc(NC(c4c(Cl)cccc4F)=O)cn3	1404
+c1(c(F)c(c(c(F)c1F)F)OC(=O)c2[nH]c(c(c2)Br)C)F	852
+O=Cc1cc(C(=O)O)cc(C)c1	39
+C(C(Oc1cc(cc(Oc2cc3c(cc2)C(N(CO3)C)=O)c1)C(=O)O)C)OC	46
+c1cc(ccc1CNC(c2c[nH]c(c2)-c3n[nH]c4c3cccn4)=O)Cl	56
+c1ccccc1CNC(c2cnc3[nH]ccc3c2)=O	56
+c1cccc2c1Sc3ccccc3C(N2)=O	67
+c1cc(ccc1CCC(=O)OC)S(C)(=O)=NC(=O)c2cnc(N)c(C#Cc3cccc(c3)NC(=O)c4occc4C)c2	3144
+C1CC2N(c3c(cc(CO)cn3)NC2=O)CC1	382
+Nc1sc(C(=O)OC)c(CO)n1	88
+C(c1ccc(CO)nc1Cl)(=O)OC	398
+c1ccccc1COc2ccc(cc2)-c3nc(cc(C(=O)OC)c3N)Br	119
+Nc1cc(OCCOC)c(cc1Cl)C(=O)O	1
+c1cc(ccc1C2(O)CN(CC2)CCCOc3cc(OC)c(cc3C(=O)OC)Cl)Cl	28
+c1cc(c(C(Nc2cc(C(=O)O)ccc2)=O)cc1)C	1
+c1cc(ccc1CN2Cc3c(ccc(Cl)n3)C2=O)OC	10427
+c1(C(=O)OC)ccc(Cl)nc1CCl	174
+C1CCC(C(C1)C)Nc2c(cc(C(=O)OC)cc2)NC(=O)Cc3cncs3	33
+c1c(c(OC)c(Br)cc1)CO	98
+C(=O)(O)c1[nH]c(C)c(Cl)c1Cl	6
+c1cc(Br)c(c(C(=O)O)c1OC)Cl	6
+O=S(=O)(c1ccccc1)Nc2c(c3c(CCCC3)s2)C(=O)OCC	10428
+c1ccccc1COc2ccc(cc2-c3c(-c4cccc(n4)C(=O)OCC)cccc3)Cl	119
+c1cc(ccc1)COc2c(C=3CCCCC=3c4nc(ccc4)C(=O)OCC)cc(Cl)cc2	3061
+c1c(nn(-c2c(Cl)cccc2)c1Sc3ccc(C)cn3)C=O	1406
+c1(C(C(N)CO)C)[nH]cnc1	95
+c1(ncccc1Cl)C(CO)C	44
+c1cc(ccc1C2CC2C(NC(c3cc4CCOc4cc3)C)=O)Cl	9
+c1c(N)cc(C(C)N)cc1	0
+c1ccccc1C(Cc2ccc(cc2)OCC(O)c3nc(NC)ccc3)CC(OCC)=O	1791
+C1N(CCc2c(c(C)sc12)CCBr)C(=O)C	5007
+c1cc(ccc1Cl)CCNC(=O)c2cc(c(cc2)Cl)[N+]([O-])=O	93
+c1ccccc1C(C)(C)NC(=O)c2cc(Cl)c(cc2)F	93
+c1cc(ccc1C#N)NC(c2ccc(OC)cc2[N+]([O-])=O)=O	50
+C(c1ccc(O)c([N+]([O-])=O)c1)(N2CCOc3ccccc23)=O	448
+o1nc(C)nc1C(C)NC(=O)c2cc(cc(-c3ccc(C)cn3)c2)-c4occn4	14
+c1(C(NC(C)=O)CCO)cccc(F)c1	44
+c1(cccc(F)c1)C(CC=O)NC(C)=O	24
+CCC(=O)CNC(c1ccc(C)nc1Cl)=O	86
+c1c(C(NCC)=O)cccc1C(=O)O	1
+c1(C(NCc2cc3c([nH]c(C(=O)OC)c3)nc2)=O)c(C)ccc(N)c1	0
+c1c(c(O)ccc1)C(Nc2cc(ccc2)F)=O	173
+c1cc(C(C#CC(OC)=O)=O)cc2c1OCO2	3145
+O(C)c1ccccc1Nc2c(c(C(=O)O)ccc2)C(O)=O	1
+O=C(c1c(c(Nc2ccc3OCOc3c2)ccc1)C(O)=O)O	1
+c1cc(c(Cn2c3c(c(C(OC)=O)ccc3)c(C=COC)c2)cc1Cl)OCc4c(F)cc(Cl)cc4	5008
+C1(C(CCNC1)NC(c2cc(Cl)c(C)[nH]2)=O)OCC	215
+c1cc(ccc1C(=O)OC)-n2c(C)nc3c2cccc3	5009
+c1ccccc1C(C)n2c3ccccc3c(C(OCC)=O)c2C	10429
+c1(C=O)cc(c(cc1)-n2cc(nc2)C)OCC	431
+c1c(ncn1-c2cc(Cl)ncn2)C	10430
+c1cc(ccc1C(OC)=O)-c2c(ccc(c2)N)C	11
+c1(cc(c(C)cc1)Br)C=O	39
+c1cc(ccc1-c2cn3cc(c(cc3n2)C)Br)N(C)C	440
+c1(C)c(C#N)ncc(c1)C=O	200
+Cc1nccc(C)c1CO	351
+c1(C)n(nc(C)c1CC(=O)NCc2ccc(cc2Cl)F)CC(=O)OCC	9
+c1cc(ccc1OC)C(c2cccc(C)c2F)=O	705
+c1(C)cc(N)c([N+]([O-])=O)cc1F	106
+c1(I)ccc(C)cc1C(=O)N2C(C)CCCC(COc3ccc(c(C)c3)F)C2	30
+c1ccccc1Oc2c(cc(cc2)[N+](=O)[O-])C	46
+c1cc(ccc1Cl)-c2c(cnc(F)c2)C	1164
+c1(C)c(N)cc(CCO)c(Cl)c1	44
+n12cc([N+]([O-])=O)cc(C)c1nnc2C	757
+c1(C)cc(-c2cnccc2)ncc1N	13
+Oc1c(cccc1)NC(c2ccc(C)c(Br)c2)=O	67
+c1cc(ccc1Br)Oc2cc(c([N+]([O-])=O)cc2C)C	415
+c1(C)c(Br)cc(cc1)CO	217
+c1ccc2c(sc(n2)N3NC(c4cc(Br)c(C)cc4)=CC3=O)c1	1916
+c1(c(N)ccc(OCC)c1)C	0
+C(c1cccc(C=CC(c2cc(C)c(cc2)O)=O)c1)(=O)O	307
+c1cc(ccc1Oc2c(C)cccc2)-c3cccnc3N	754
+C(CCC)(c1c(c2c(nc1)c(C)ccc2)O)=O	3523
+c1(C)c(n(C)nc1)-c2cc(C(=O)O)sc2Cl	1
+c1ccc(c2cc[nH]c12)-c3cc4c(c[nH]n4)c(NC(c5n(C)ncc5C)=O)c3	187
+c1(C)c(n(C)nc1)C(=O)O	1
+c1(C)c(ncc(N)c1)C(OCC)=O	13
+c1(C)c(CO)sc(Br)c1	59
+O=Cc1c(Br)cc(C)c(OCC)c1	39
+c1(C)cc(Br)c(CO)cc1OCC	49
+c1(ncc(cc1[N+]([O-])=O)Cc2cnccc2)NCCCc3ncc(cc3C)Br	70
+c1cc(ccc1-c2nc(nc(N3CCN(c4ncc(cc4C)Br)CC3C)c2)N5C(C)CCC5)F	54
+c1(ccc(C(=O)NCc2ccc(C#N)cc2O)cc1C)F	14
+c1(cc(cnc1N2C(COC)CCC2)-c3onc(-c4cc(ccc4OC)F)n3)C	1828
+c1cc(c(C)cc1C2CO2)[N+]([O-])=O	3146
+c1(C)cc(C(CCC(=O)O)O)ccc1F	4
+c1(C)cc(c(CN)c(OC)n1)C	388
+c1(C)nc(cc(C=O)c1)CC	39
+c1(C)cc(Cl)c(cc1F)C(=O)O	1
+c1ccccc1CNc2cc(nc(N)n2)C	40
+c12CN(CCc1nccc2)c3cc(C)c(c(n3)N4CCC(F)C4)[N+]([O-])=O	43
+c1(C)cccc(C)c1-c2cc(C)c(cn2)[N+](=O)[O-]	140
+c1(c(N)cc(C)c(F)c1)N	0
+c1cnccc1-c2c3c(OCC3)c(cc2C)N	498
+c1cc(ccn1)-c2c3CC(Oc3c(cc2C)N)C	498
+c1cc(ccn1)-c2c(cc(c3c2CC(O3)COC)N)C	498
+c1(C)c(F)ccc(c1)NC(c2cccn2C)=O	187
+Nc1cc(C)c(nc1)CCCCN	51
+c1cc(ccc1F)CN2CCN(c3cc(C)c(C(OCC)=O)s3)C2=O	1083
+Clc1cccc(Cl)c1C(=O)Nc2c(cnc(Nc3cc(C)nc(C)n3)c2)[N+]([O-])=O	50
+CC(Nc1c2CCCC(c2c(c(F)c1)C)=O)=O	214
+Nc1c(N)c(c([N+]([O-])=O)c(C)c1)C	0
+c1(C)cc(c(N)cc1F)Br	0
+c1(cc(cc(C)c1)-c2nc(cnc2-c3cc(C)cc(c3)C)Cl)C	2903
+c1(C)cc(cc(C)c1)C(c2cc(C)cc(C)c2)N3C=CC=C(C3=O)C(=O)O	127
+c1c(C)cc(cc1Nc2c(c(C#N)ccc2)[N+](=O)[O-])C	275
+Cc1cc(cc(C)c1)Nc2c(C#N)c(SC)nc(SCC)n2	73
+c1(C)cc(cc(C)c1)Nc2nc(ccn2)-c3c(-c4ccccc4)sc(n3)N	1359
+c1(C)cc(cc(C)c1)NC(c2cccnc2SCc3ccnc(F)c3)=O	246
+C(C)CC(c1c(cc(C)cc1C)O)=O	4443
+C(c1c(C)cc(C)cc1O)C=C	423
+Cc1cc(cc(C)c1-c2cccc(C(O)=O)c2C)OCC3COC(C)(C)O3	1
+c1(C)cc(cc(C)c1-n2c3nc(C)cc(NCCNCCc4ccc(c(OC)c4)OCC)c3nc2)C	284
+c1(C)cc(cc(C)c1-n2c3nc(C)cc(NCCCl)c3nc2)C	15
+c1cc(ccc1)COc2cc(C)c(c(C)c2)CC(CC=C)C(=O)N3C(Cc4ccccc4)COC3=O	10431
+Cc1cc(cc(C)c1Cn2c(C(O)=O)cc3c2cc(C#N)cc3)C	1
+c1(C)cc(cc(C)c1NC(OCC)=O)CNc2cccc(c2)F	208
+c1(C)cc(cc(C)c1O)-c2oc3c(n2)c(OCCC)nc(Cc4ccc(cc4)Cl)n3	5
+Cc1cc(cc(C)c1OC)N	0
+c1c(C)c(c(cc1-c2nc(O)c3c(OC)cc(OC)cc3n2)C)OCC(=O)NCc4ccccc4	9
+c1c(C)c(c(cc1N)C)Oc2cc3c([nH]nc3cc2)CC(C)C	0
+c1c(C)c(c(cc1C#N)C)Oc2nc(Nc3ccc(cc3)C#N)nc4ccn(C)c24	744
+c1c(C)nc(cc1-c2nc3cc(cc(F)c3c(O)n2)F)C	748
+c1cc(ccc1)CN2C(CCCC(COc3cc(C)c(F)cc3)C2)C	126
+c1(C)cc(N)cnc1CCCC#N	13
+c1(C)cc(nc(Cl)n1)C#N	331
+c1(C)nc(Cl)nc(CO)c1	398
+c1(nc(Cl)nc(C)c1)C(=O)O	1
+c1(C)c(N)cnc(c1)C(OCC)=O	13
+c1cc(ccc1-c2ccccc2)C(N(C(=O)CN3C(=O)Oc4c3cc(c(C)c4)OC)C)CN5CCOCC5	10
+c1nc2c(cc(c(C)c2)O)s1	5
+c1(C)cc2c(scn2)cc1OC	3101
+c1cc(ccc1C#N)-c2cc(C)cc(n2)-n3c(C)ccc3C	119
+c1(C)ccc(Cl)c(Oc2c(c(F)cc(c2)Br)Cl)c1F	46
+c1(Oc2c(Cl)ccc(C)c2F)cc(cc(Br)c1)C#N	46
+c1c(C)c(c(cc1)C)-c2cc(COc3cc4cc[nH]c4cc3)ccc2	657
+c1cc(ccc1)Nc2c(N)ncc(-c3c(C)cccc3C)n2	10432
+c1ccccc1Nc2cccc(c2)-c3ncn(-c4c(C)cccc4C)c3	1370
+c1(C)cccc(C)c1CNc2cc(C(N)=O)cn3c(C)c(nc23)C	2951
+c1(C)cccc(C)c1CNc2c3nc(CO)c(n3ccc2)C	874
+c1(cccc(C)c1COc2cccc(c2)C#N)C	20
+c1cc(ccc1Nc2nc(Cl)nc3n(C=Cc4c(C)cccc4C)cnc23)P(C)(C)=O	914
+CC(C)c1onc(c1COC)COc2c(C)cccc2C	1043
+c1cc(ccc1OCc2c(C(C)C)onc2COc3c(C)cccc3C)-c4cc5cnc(C(OC)=O)cc5cc4	10433
+c1(C)cccc(Sc2ccc(cc2N)C)c1	0
+c1(n(CC(O)=O)nc(C)c1CC(=O)NCc2ccc(cc2Cl)F)C	3
+c1(C)n(nc(C)n1)-c2c(C)nn3c2oc(C)c3-c4c(cc(cc4)OC)C	10434
+c1(C)n(nc(C)n1)-c2c(C)nn3c2oc(C)c3-c4c(C)cc(O)cc4	5
+c12c(cccc1)C(=O)N(C2=O)OCC#Cc3cccc(-c4nc(C)cc(c4)OC)n3	10435
+c1(C)nc(Cl)cc(CO)c1	49
+c1(C)cc(nc(Cl)n1)C=O	178
+c1(C)nc(OC)ccc1N2CCCn3c4c(c(Cl)ccc4CO)nc23	295
+c1(C)nc(OC)ccc1N2CCCn3c2nc4c(Cl)ccc(C=O)c34	200
+c1(C)cc(CO)cc(n1)CC	49
+c1(C)nc(nc(C)c1)N2CCC3(CC2)CCCC(=O)N3Cc4c5c([nH]cc5)ccc4	5010
+c1(C)nc(on1)-c2cc(c(C)cc2)O	241
+c12c(COc3cc(-c4nc(C)no4)ccc3C)nn(C)c1ncnc2Cl	951
+c1(C)nc2c(NCc3c(C)cccc3CC)cc(C(=O)O)cc2n1C	6
+c1(C)nc2c(NCc3c(C)cccc3CC)cc(cc2n1C)Br	10436
+c1ccccc1C(NC(Cc2cc(NC(c3c(ccnc3C)C)=O)c(O)cc2)=O)c4c(cc(Cl)cc4)C	246
+c1c[nH]c2ccc(cc12)-c3c(C)sc(n3)NC(=O)Cc4ccc5OCOc5c4	1452
+c12ccccc1[nH]cc2C3C(CNC3)c4c5cccc6CCCn(c4)c56	15
+c1ccc2c(c1)[nH]cc2C=3C(N(C)C(=O)C=3c4cn(c5ccccc45)C)=O	10437
+C1CC(CCC1c2c(F)cc(cc2)Br)CCC	191
+c1cc(ccc1C#N)C(NNC(=O)C(C(C)O)Nc2ccc(c(Cl)c2C=C)C#N)=O	708
+CCc1c(n(C)nc1)-c2c(C)sc(c2)C(=O)OC	10438
+c1(ccc(cc1[N+]([O-])=O)-c2ccc(cc2C)C(=O)OC)CC	1393
+c1c2c(c(n(C)c2ccc1)CN(C)C(=O)C=Cc3cc4OCC(Nc4nc3)=O)C	404
+c1ccccc1C(c2ccccc2)N(CCN(CCCCNC(C=Cc3cnccc3)=O)C)C	711
+c1c(C=CC(N(Cc2n(c3c(cccc3)c2)C)C)=O)cccn1	404
+C(c1c2c(nn(C)c2C)ccc1CCC(OC)=O)(=O)OC	159
+c1(C=CC(Nc2cc(C=CC(O)=O)ccc2)=O)ccc3c(OCO3)c1	127
+CCCCCCOc1c(cc(cc1)CC[N+]([O-])=O)OCCCCCC	364
+c1(C(OC)=O)cccc2n(Cc3c(ccc(Cl)c3)OCc4c(F)cc(Cl)cc4)cc(C=O)c12	190
+C(OC)=Cc1c2c(ccc1OC)cccc2	10439
+c1c(C)c(ccc1CO)O	41
+c1(C=O)cc(Cl)c(cc1)CNc2ncccc2	10440
+c1cc(ccc1Cl)C(c2ccc(c(c2)Cl)F)O	257
+c1(Cl)c(ccc(CO)c1)-c2cc(ccc2)C#N	41
+c1(I)cc(ccc1)C=C	443
+C(c1ncccc1)(O)c2cc(OCC)c(cc2)[N+]([O-])=O	3059
+c1cc(cc(OCCC)c1OC)CO	41
+O(CC)C(C=Cc1cc(OCCCOC)c(cc1)O)=O	530
+c1(C=O)cc(OCCCOC)c(cc1)O	5
+c1cc(cc(Oc2cccc(C#N)c2)c1OC)CO	41
+c1(cc(c(F)cc1)O)C=O	5
+c1(C=O)cc(OC)c(cc1)-n2cnc(C)n2	2267
+c1(C=O)cc(c(F)cc1)OC=C	10441
+c1(c(F)cccc1)COc2ccc(C=O)cc2OC	22
+c1cc(ccc1O)C(C=Cc2ccc(O)c(c2)OC)=O	307
+c1(C=O)cc(c(cc1)OCc2ccc(nc2)OC)OCC	751
+Cc1c(COc2cc(ccc2OC)CO)nc(-c3occc3)o1	41
+c1c(c(Cl)cc(c1)CO)OCC=C	41
+Cc1c(COc2ccc(cc2OC)CO)nc(C=CC(OCC)=O)o1	41
+Cc1c(COc2ccc(cc2OC)CO)nc(-c3cc(ccc3)C#N)o1	41
+c1(cccc(C)c1-c2cc(ccc2)C=O)C	11
+C(C=Cc1cc(ccc1)Br)COC	5011
+c1cc(ccc1Cl)C(c2cccc(c2)Br)O	257
+c1cc(ccc1N=Cc2cc(Br)ccc2)C(OCC)=O	457
+c1cnccc1-c2ccnc3c2cc(cc3)C=O	10442
+c1cc(ccc1)C2C(N=C3NC(=O)C(=Cc4cc5c(OCC)c(cnc5cc4)C#N)S3)C2	10443
+[N-]=[N+]=NC1c2c(CCC1)cc(C=O)cc2	841
+c12cc(ccc1c3c(c(N)n2)nccc3)C=C	443
+c1cc(ccc1Cn2ncc3ccc(C=O)cc23)OC	3919
+OC(c1cc(OCC)c(cc1)OC)c2cc3c(n(C)nn3)cc2	257
+c12c(ccc(c1)C=C3SC(=NC3=O)NCc4ccc(cc4Cl)F)nc(NC)nc2OCC	3587
+c1c(Cl)c(c(cc1)Cl)N=C2NC(C(=Cc3ccc4nc(C)oc4c3)S2)=O	10444
+c1cc(ccc1)-c2ncnc3ccc(cc23)C=O	198
+c1c(OC)c(c(cc1)OC)C2N(C(=O)C(C2)C)Cc3ccc4sc(C)nc4c3	1737
+C(C=Cc1ccc(-n2ncnc2)c(F)c1)=O	10445
+S(c1ccc(CO)cc1F)C	41
+c1(CC)c(ccc(CO)c1)Br	41
+c1c(CC)c(ccc1O)OC	1437
+n1cc(-c2cc(F)c(cc2)C#N)oc1	2288
+OP(O)(=O)Cc1cc(C=O)ccc1O	228
+N(Cc1ccc2nc(SC)sc2c1)c3c(cc(C)cc3)[N+]([O-])=O	208
+c1(NCc2ccc3nc(SC)sc3c2)c(ccc(c1)Br)[N+]([O-])=O	208
+c1cc(ccc1)C(c2ccc3c(c2)cco3)O	704
+c1c(cc(C(O)c2cccc(F)c2)c(F)c1OC)C#N	1641
+c1c(cc(CO)cc1)OC(C)C(OC)=O	41
+C(Oc1cccc(CO)c1)CCCl	41
+c1ccccc1C(OCCOc2cc(C=O)ccc2)=O	10446
+O=S(C)CCOc1cccc(CO)c1	41
+CC=Cc1cccc(OCOC)c1	2053
+c1cc(ccc1)C(C(NCc2cc(ccc2)[N+](=O)[O-])C)F	42
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOC(C(C(=O)C)=Cc4cc([N+](=O)[O-])ccc4)=O	2395
+c1ccccc1C2(CCN(CC2)CCOCCOC(=O)C(C(C)=O)=Cc3cc([N+]([O-])=O)ccc3)c4ccccc4	2395
+c1cc(ccc1NCc2cc(ccc2)OC3CCCCO3)OCCN4CCCC4	208
+c1cc(ccc1-c2cc(nc3cc(ccc23)Cn4cc(C=O)cn4)C#N)F	309
+O=S(=O)(n1ccc2c(c(cnc12)C=O)Cl)c3ccc(cc3)C	276
+C(c1cc2ccc(cc2cc1)OC)CN	51
+c1ccccc1C(c2ccccc2)OC(C3=C(c4cnc(NC(=O)C)s4)CSC5C(C(=O)N35)NC(Cc6sccc6)=O)=O	952
+c1(c(CCO)cc(c(F)c1)F)OC	21
+c1cc(ccc1CC(C(=O)NC(CC2=CCCC2)C(=O)C3(CO3)C)NC(=O)C(NC(=O)Cc4sc(N)nc4)C)OC	207
+OC(Cc1c(cccc1)-n2nnnc2)=O	3
+C1Cc2ccc(Br)cc2CC(c3ccc(c(c13)C)OC)=O	214
+c1c(nccc1-c2cc(Cl)c(C=3C(N(C)c4c(C=3)cnc(Cl)n4)=O)cc2)C(=O)NC	10447
+CCc1ccnc(N)c1Br	2005
+C(c1cc2c(CCC2=O)[nH]1)(=O)OC	10448
+O(C(c1ccc(Cn2c(c(nc2CCCC)Br)C=O)c(F)c1F)=O)C	371
+c1ccc2cc3c(cc2c1)cc(cc3)Cn4c(CCCC)nc(Cl)c4C=O	371
+c1ccc(CNCCc2ccccn2)cc1CCOC3OCCCC3	42
+c1cc(C)n(c1C)-c2cc(C)cc(n2)CCc3cc(cc(C#N)c3)NCCc4ccccn4	250
+c1cc(ccc1C(=O)NCCc2ccccn2)OCCCCCCCCCCCCCC	93
+c1cc(ccc1[N+](=O)[O-])NCCc2ccccn2	60
+C1c2scc(C)c2C(C)=NC1	10449
+C(=O)Cc1ccc([N+]([O-])=O)cc1Cl	24
+c1(CCN)cc(C)cs1	157
+c1ccnc(N2CCC(F)C2)c1COc3c(c(ccc3)O)C=O	751
+n1n(Cc2occ(n2)COC)ncc1[N+](=O)[O-]	10450
+Fc1cccc(F)c1N2c3nc(NCc4ncc[nH]4)nc(-c5c(ccc(C(NCc6ccccc6)=O)c5)C)c3C=CC2=O	306
+Cc1onc(c1CNc2ccc(cn2)C(=O)OC)CCCC	70
+c1[nH]c2ncccc2c1CNc3c(ncc(Br)n3)N	941
+c1c(C(NCc2cccs2)=O)[nH]c3c1cc(cc3Cl)Br	81
+c1cc(ccc1C(=O)NCc2sccc2)Cl	93
+c1cnccc1SCCCNCc2cccs2	1130
+c1(cc(cc(F)c1C(=O)c2c[nH]c(c2)C(NCc3nnc(C)s3)=O)F)F	2406
+c1cc(ccc1-n2cncc2)S(=O)(=O)NCC3CN(c4cc(cc(OC)c4)Br)CCN3Cc5ccc(OC)c(OC)c5	71
+c1cc(ccc1Cl)C2(O)CN(Cc3cc(ccc3)OC)CC2	251
+c1(CN2CC(CC2)=O)cc(ccc1)OC	86
+c12ccccc1c3c(cccc3)nc2CN	18
+c1cc(ccc1Cl)-c2c(cncc2)CO	835
+c1(C=O)c(NC)cc(Cl)nc1	200
+c1(c(NC)nc(Cl)nc1)C=O	1195
+c1(c(NC)nc(SC)nc1)C=O	1195
+c1(cc(C)ccc1C=O)OC(CC=C)C	39
+c1(CO)cccc(-c2nc(C(Nc3c(cnc(C(O)=O)c3C)C)=O)c(cc2)C)c1	6
+c1cc(ccc1)CCCC(C(NC(C)c2nnc(Cc3cc(OC)c(OC)cc3)nc2O)=O)(C(C)=O)C	4901
+c1cc(ccc1)CCCC(C(O)C)C(NC(CC)c2nnc(Cc3ccc(OC)c(OC)c3)nc2O)=O	9
+c1(Cc2ccc(c(c2)OC)OC)nnc(c(O)n1)C(C)NC(C(CCCC=C)C(=O)C)=O	2299
+c1(nc(C)c2n1N=C(NC2=O)Cc3ccc(c(OC)c3)OC)C(C(=O)C)CCCC=C	5012
+c1cc(ccc1NC(=O)c2cc(c(nc2)Cl)Br)OC(F)(F)Cl	246
+c1cc(ccc1OC(F)(F)C)NC(=O)c2cc(c(nc2)Cl)Br	246
+c1cc(ccc1Cl)-c2cc(cnc2Cl)C(OC)=O	89
+c1(N)cc(c(Cl)nc1)Br	13
+C(C1CC1c2ncc(OC)cc2)Oc3nc(C)ncc3Br	145
+c1(cc2c(c(Cl)c1Cl)scc2)O	5
+c1cc(ccc1C=O)-c2c(Cl)cc(cn2)C(=O)NCC	140
+Clc1c(F)c(c(c(Cl)c1F)F)S(=O)(=O)Nc2cc(O)c(OC)cc2	69
+Nc1c(Cl)cc(cc1[N+]([O-])=O)O	106
+c1ccccc1CN2CCC(CC2)Oc3c(Cl)nccc3	1346
+C(c1c(cc(Cl)c(OC)c1N)Cl)(O)=O	1
+c1(cc(F)c(C)nc1)C(=O)OC	1372
+c1(Cl)c(cc(c(Cl)c1N)CN)F	162
+c1ccccc1COc2ccc(cc2Cl)C(=O)O	139
+c1cc(ccc1CCNC(c2cc([N+]([O-])=O)c(Oc3c(cc(CC(OC)=O)cc3)Cl)cc2)=O)Cl	415
+c1cc(ccn1)CCNCc2cc(-c3nc(NCCc4ccc(c(c4)Cl)O)ncc3)ccc2	96
+c1(C=O)cc(Cl)c(cc1)-c2cc(ccc2)C(=O)N	39
+c1(cc(ccc1O)Nc2ncnc3cccc(F)c23)Cl	73
+c1ccccc1COc2ccc(N)cc2Cl	139
+c1c(Oc2nc(nc(Cl)c2)SC)c(Cl)cc(OC)c1	185
+c1cc(ccc1C=O)CSc2cc(c(cc2)O)Cl	1128
+c1(Cl)c(ccc(S)c1)O	1180
+c1(nc2cc(F)c(F)cc2[nH]1)-c3c(Cl)nccc3	4860
+c1(c(nccc1)Nc2cc([N+]([O-])=O)ccc2)C(=O)O	201
+c1(Cl)c2c(c(C(=O)O)cn1)n(C)cc2	1
+c1(cc2c(c(Cl)ncc2)[nH]1)C=O	178
+c1cc(ccc1)CN2C=C(Cl)C=C(Br)C2=O	10451
+c1cc(ccc1Cl)Nc2c(cc(Br)cn2)Cl	201
+Cc1nc2c(OC)c(C(=O)OC)cc(Cl)c2[nH]1	791
+c1(Cl)cc(C(=O)OC)c(OC)c(N)c1NC(C)=O	0
+c1(Cl)cc(CO)c(OC)cc1O	98
+N(c1c(cc(c(n1)-c2cc(ccc2)F)C(OC)=O)Cl)Cc3cc(OC)c(cc3)OC	70
+C1(c2ccccc2C(=O)N1CCCOc3c(Cl)cc(cc3)C4=NNC(CC4)=O)=O	8
+Nc1cc(Cl)cnc1Br	13
+c1c(c(c(c(F)c1Cl)F)N)N	0
+Clc1c2c(C(CCC2)O)nc(C)c1	10452
+c1(Cl)cc(c(Br)s1)C=O	2873
+c1(Cl)cc(C(C)O)c(OC)c(c1Cl)I	74
+c1(Cl)cc(c(cc1O)F)CCCl	165
+C1CCCCC1(NS(=O)(=O)c2ccc(cc2)C)C(c3cc(Cl)cc(c3)Cl)O	71
+c1c(Cl)cc(cc1CCN)Cl	51
+c1c(Cl)cc(cc1C(c2c(CC)c(nc(OC)n2)OC)C#N)Cl	10453
+c1(cc(cc(Cl)c1-n2nc3c(c2)c(Nc4ncnc(c4)C)ncc3F)N)Cl	0
+Clc1cc(cc(Cl)c1Br)Nc2nc(OC)nn2Cc3ccc(cc3)OC	10454
+c1c(Cl)c(c(cc1C(NCCC)=O)Cl)C(c2c3c(c(NC(C)=O)ncc3)[nH]c2)=O	787
+c1(Cl)cc(cc(Cl)c1CO)[N+](=O)[O-]	1146
+c1cc(ccc1)COc2cc(Cl)c(c(Cl)c2)CO	41
+Clc1cc(cc(Cl)c1C=O)[N+](=O)[O-]	39
+c1(cc(cc(Cl)c1Oc2cc(c(O)cc2)C(NCCCCCCCCC)=O)[N+](=O)[O-])Cl	5
+Clc1cc(cc(Cl)c1Sc2cc3ccccc3cc2)N	0
+Clc1cc(cc(Cl)c1Sc2nc3c(ccc(C#N)c3)s2)N	0
+c1cc(ccc1C(C)Nc2nc(Cl)cc(c2)C(C)=O)F	70
+c1cc(ccc1)S(=O)(=O)n2cc(c3cc(cnc23)Cl)C=O	276
+c1(-c2c(cc3ncoc3c2)Cl)cnc(cc1)NC(c4c(cccc4)Cl)=O	330
+c1cc(ccc1O)C(c2ccc(cc2)OCCCl)=C(c3ccc4c(cc(Cl)o4)c3)CC	1051
+N(Cc1n(nc(C)c1)C)c2c(Cl)ccc(c2)O	729
+c1(cc(cc(F)c1C#Cc2ccc(c(NNC(OC)=O)c2)Cl)F)F	455
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4cc5C(=O)C=C(Oc5cc4)C(OCC)=O	1411
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4ccc5c(cc(C(=O)OC)cc5)c4	1411
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4cc5c(c(ccn5)C(=O)OC)cc4	1411
+c1c(Cl)c(c(cc1)Cl)-c2c(c(on2)C(C)C)COc3cc4ccc(cc4cc3)-c5ccc(C(OC)=O)cn5	1411
+c1(Cl)cccc(Cl)c1-c2noc(c2COc3ccc(cc3)-c4ccc5c(c4)ccc(C(O)=O)n5)C6CCCC6	1
+Clc1cccc(Cl)c1C(=O)NC(Cc2ccc(cc2)OCCCCl)C(O)=O	4
+Clc1cccc(Cl)c1C(=O)NC(Cc2ccc(cc2)C3CCN(CC3)S(=O)(=O)C)C(O)=O	4
+c1c(Cl)c(c(cc1)Cl)CC=O	24
+c1cc(ccc1OCc2c(CCc3c(cccc3Cl)Cl)noc2C(C)C)-c4cc5c(cccc5C(=O)OC)cc4	20
+c1cc(ccc1OCc2c(CCc3c(cccc3Cl)Cl)noc2C(C)C)-c4ccc5c(cc(C(=O)OC)cc5)c4	20
+c1(Cl)cccc(Cl)c1COc2cc(-c3cc4c(cc3)[nH]c(C(O)=O)c4)cnc2N	6
+c1(Cl)cccc(Cl)c1COc2c(N)nccc2	161
+c1cc(ccc1N)Oc2cc(C)ncc2	242
+c1cc(ccc1C(=O)Cc2cc(Cl)ccn2)OC	1501
+c1cc(ccc1Cc2noc(c2)-c3ccc(N)nc3N)OCc4nccc(c4)Cl	412
+Clc1ccnc(CNc2nc3c(o2)c(cc(c3)C(=O)OC)OC)c1	1527
+c1ccn(c1)-c2ccnc(CO)c2	10455
+c1cc(ccc1)N2N3CCCC3=C(C2=O)C(=O)Nc4ccc(Oc5cc(C(N)=O)ncc5)cn4	5013
+c1ccccc1N2N(C(=C(C2=O)C(Nc3cc(c(Oc4ccnc(c4)C(N)=O)cc3Cl)F)=O)C)C	242
+c1ccccc1N2N(C(=C(C(Nc3ncc(Oc4cc(C(N)=O)ncc4)cc3)=O)C2=O)C)C	5013
+c1(c(Cl)cnc(Cl)c1)Nc2c(C(NC)=O)cccc2F	2272
+c1(ncc(c(Nc2c(cccc2)C(=O)NC)c1)Cl)Cl	2272
+c1(C=O)cc2c(cc1)ncc(Cl)n2	760
+c1ccccc1-c2c(c(Cl)cnc2)N3CC(C3)c4nc5cc(C)ccc5[nH]4	10456
+Clc1csc(c1)-c2nc(ccc2)C	10457
+c1ccccc1N2C(=O)c3c(C=C2C(Nc4c(I)cnc(Cl)n4)C)cccc3-c5cn(nc5)C	2596
+n1c(F)nc2c([nH]cn2)c1NCc3cnccc3	516
+c12nc[nH]c1nc(Cl)nc2NCc3cc(OC)c(cc3)OC	516
+c1cc(ccc1Cl)Nc2c3[nH]cnc3nc(Cl)n2	1185
+c1cc(ccc1)Oc2cc(cnc2Nc3nc4c(nccc4)s3)Br	10458
+c1c(C=Cc2cc(ccc2)Nc3c(cccn3)[N+]([O-])=O)cccn1	201
+c1c(cccc1I)Nc2c([N+]([O-])=O)cccn2	201
+c1c(cccc1C=C)Nc2c([N+]([O-])=O)cccn2	201
+c1ccccc1Nc2ncccc2[N+]([O-])=O	201
+c1ccccc1Oc2c(cccn2)[N+]([O-])=O	136
+c1cc(ccc1C(=O)C(OCC)=O)Nc2c(cccn2)[N+]([O-])=O	201
+c1cc(ccc1Nc2c(cccn2)[N+]([O-])=O)Cl	201
+c1ccccc1CN2CCC(CC2)Nc3c([N+](=O)[O-])cccn3	70
+c1(cccnc1Nc2cc(ccc2)C=Cc3cncc(Br)c3)[N+]([O-])=O	201
+c1nc(ncc1)N2CCC(CC2)Oc3c(C)c(Cl)ncn3	145
+c1cc(ccn1)Sc2sc(NC(=O)C)nc2	10459
+c12ncccc1sc(n2)Oc3cc4sc(C(=O)OC)cc4cc3	10460
+c1cc(ccc1)-c2cc(C(=O)OC)c(cc2F)OC	11
+c1cc(ccc1)CSc2c(cc(N)c(c2)C=CC(=O)OCC)F	607
+c1(F)c(Br)cc(C=O)c(N)c1	0
+c1(F)c(Br)cc2N3C(c4c(cc(cc4)F)Oc2c1)C(N)CCC3	10461
+c1(CO)c(F)cc(cc1O)Br	49
+c1(F)c(Cl)ccnc1CO	174
+Fc1c(F)c(c(c(F)c1)F)CC(Nc2ccnc(O)c2-c3[nH]c4cc5c(c(c4n3)C)CN(C5=O)CCN(C)C)C	1598
+C(O)c1ccc(F)c(F)c1C	49
+c1cc(ccc1)COc2c(cc(c(F)c2)F)[N+]([O-])=O	22
+c1(OC)cc(C(=O)Nc2c(c(ccc2F)O)F)cc(-c3cc(F)ccc3)c1	67
+c1(cc(c(c(c1)C(=O)Nc2c(c(ccc2F)O)F)C)C)-c3cc(F)ccc3	67
+c1(cc(ccc1)F)-c2cc(C(Nc3c(F)ccc(O)c3F)=O)c(C)c(F)c2	67
+c1(cc(C)c(OC)c(c1)C(=O)Nc2c(c(ccc2F)O)F)-c3cc(F)ccc3	67
+C1CC(c2c(F)c(cc(F)c12)Br)=O	214
+c1c(c(F)cc(C=O)c1N)Br	0
+c1c(ccc(Oc2cc(N)c(cc2Br)[N+]([O-])=O)c1F)F	46
+C1CC(CCN1c2ncc(cn2)CC)n3c4cc(F)c(Br)cc4cc3	3705
+c1(c(cccc1)-n2c3cccc(N)c3cn2)F	2993
+c1cc(ccc1C)-c2ccccc2F	2111
+c1(F)c2Cc3c(ccc(C=CC)c3F)-c2ccc1	2576
+c1(F)c2Cc3c(ccc(CCC)c3F)-c2ccc1	374
+[nH]1c2c(c(NC(c3nccnc3)=O)c1)c(F)c(cn2)Br	1285
+c1(F)c2c(N)c[nH]c2ncc1Br	13
+c1(F)c2c(N)c[nH]c2ncc1Cl	13
+c1(F)c2c(N)c[nH]c2ncc1OCC	13
+c1(c(cc(F)c2c1cccc2)C(O)=O)O	5
+c1(F)cc(c(cc1C)C(NCc2c(cc(cc2)Br)F)=O)OCC(=O)O	3
+Fc1cc(c(cc1C)C(NCc2c(cc(cc2)Br)F)=O)O	5
+c1(cc(cc(F)c1)Nc2c(C(OC)=O)cccn2)F	3147
+c1(F)cc(cc(F)c1)N2C(c3cc(cc4C(=O)C=C(N5CCOCC5)Oc34)C(O)=O)CCC2	1
+c1c(F)cc(cc1Oc2cc(OC(C)COC)cc(c2)C#N)F	304
+c1cc(ccc1Oc2cc(F)cc(c2)F)O	5
+c1(F)cc(cc(F)c1)Oc2ccc(cc2)OC(C)CO	44
+c1(F)cc(cc(F)c1-c2cnccc2)N3CC(CN)OC3=O	18
+Fc1cc(cc(F)c1-c2scc(n2)C(O)=O)OC	1
+c1(F)cc(cc(F)c1C2=CCN(CC2)C(=O)C3OC(C)(C)OC3)N4CC(CO)OC4=O	59
+c1(F)cc(cc(F)c1F)NC(Nc2cc(ccc2)Nc3ccc4c(c3)NC(=O)C4=Cc5ccc[nH]5)=O	292
+c1c(c(F)cc(I)c1)Nc2c([N+](=O)[O-])c(F)cc(c2)F	275
+c1(cc(cc(F)c1[N+](=O)[O-])N(c2cc3oc(c(C(NC)=O)c3cc2C4CC4)-c5ccc(cc5)F)S(=O)(=O)C)F	3058
+Nc1cc(cc(c1C(=O)O)F)Br	0
+c1(F)cccc(F)c1-c2c3OC(Cc3ccc2)CN	18
+c1(F)cccc(F)c1-c2cccc3CC(COS(=O)(=O)c4ccc(cc4)C)Oc23	36
+c1cc(ccc1-c2c3c(O)nccc3n(-c4c(F)cccc4F)n2)N5CCOCC5	104
+Fc1cccc(F)c1C(=O)C(C(OCC)=O)=[N+]=NS(=O)(=O)c2ccc(cc2)NC(=O)C	10462
+c1c(F)c(c(cc1)F)C(Nc2ccn(n2)Cc3ccc(cc3OCc4ccccc4)Cl)=O	309
+c1ccccc1COc2ccc(c(c2)C)Cn3ccc(NC(c4c(cccc4F)F)=O)n3	309
+c1ccccc1COc2ccc(c(c2)Cn3ccc(NC(c4c(cccc4F)F)=O)n3)Cl	309
+c1ccccc1COc2cc(c(Cn3nc(NC(c4c(cccc4F)F)=O)cc3)cc2)Cl	309
+c1(F)cccc(F)c1N2C(=O)C=Cc3c(-c4cc(C(NCc5ccccc5)=O)ccc4C)nc(nc23)SC	14
+c1cc(ccc1COc2c(cc(Br)cc2)CN3CCC(CC3)(CNC(Nc4c(cccc4F)F)=O)O)Cl	282
+c1(cccc(F)c1Oc2ccc(cc2)[N+]([O-])=O)F	46
+c1ccccc1COc2cccc(F)c2[N+](=O)[O-]	57
+c1(c(F)c(C(O)=O)c(cc1)Cl)OCc2c(F)cccc2	22
+c1(F)cccc(F)c1NC(c2oc(cc2)Cc3cc(ccc3OCc4c(F)cccc4)Cl)=O	22
+c1cc(cc(-c2nc(-c3ncoc3)n(n2)Cc4c(F)cccc4)n1)Br	4022
+C=1(C(N(C=C(C=1)Cc2ccc(cc2F)F)Cc3c(F)cccc3)=O)I	10463
+c1cc(ccc1OCc2c(F)cccc2)-c3cccc(C(OC)=O)n3	22
+c1cc(ccc1CO)CCN2C=CC(=CC2=O)OCc3c(F)cccc3	3776
+c1cc(ccc1N2CCn3c(cc(OCc4c(cccc4)F)n3)C2=O)F	10464
+c1cc(ccc1OCc2c(F)cccc2)CSCCC(=O)OCC	22
+c1(c(c(Cl)ccn1)C#Cc2cnc(cc2)N)CC	2281
+c1(I)cc(c(OC)cc1F)O	173
+c1(C(=O)O)cc(Cl)c(c(I)c1)OC	1
+c1ccccc1C(CC)C(Nc2ccc(c(C(=O)N)c2)I)=O	26
+c1(I)c(cc(N)cc1)C(=O)N	0
+c1cc(ccc1)C#Cc2c(NC(C)=O)n[nH]c2C	1249
+c1ccccc1-c2c3c(cnc(Br)c3)n(n2)C4CCCCO4	1196
+Fc1cnc2c(c1I)c(C(=O)c3c(F)c([N+]([O-])=O)ccc3F)c[nH]2	3962
+c1cc(ccc1)Sc2c(cc(cc2)F)C(O)=O	826
+c1cc(ccc1-c2cc(ccc2)NC(Nc3cccc4CCC(O)Cc34)=O)C	134
+Oc1c(c(c2c(n1)nc[nH]2)N)-c3nc4c([nH]3)cccc4	10465
+CCCCn1cnc(c1N)C(=O)N	2840
+c1cc(C(Nc2c(C(=O)N)nc(s2)Nc3cc(F)ncc3)=O)cc([N+]([O-])=O)c1OCCOC	10466
+c1cc(ncc1Br)OCC(Nc2c(C(=O)OC)csc2)=O	4872
+c1cccc(CSc2ccc(F)cc2N)c1C(OC)=O	1128
+c1(N)c(ccc(O)c1C)C#N	4366
+c1cc(ccc1C)S(=O)(=O)Nc2cc(ccc2NC(C)CO)Br	69
+c1c(ccc2nc(-c3ccc(N)c(I)c3)sc12)O	5
+c1cc(ccc1COc2cc(Br)cc(Nc3cnccc3)c2)OC	2998
+c1cc(ccc1)COc2cc(Br)cc(Nc3cnccc3)c2	2998
+c1c(cc2c(n[nH]c2c1)C(Nc3cccnc3)=O)Br	510
+c1cc(ccc1COc2ccc(C=O)cc2C(=O)Nc3cnccc3)F	487
+c1cc(ccc1)OC(=O)Nc2cnccc2	950
+n1c(Cl)c([N+]([O-])=O)c(nc1)Nc2ccnc(Cl)c2	73
+c1cc(Br)nc(c1[N+]([O-])=O)Nc2ccnc(Cl)c2	1759
+c1ccccc1CC(=O)Nc2cc(O)ncc2	26
+c1c(cn[nH]1)N2C(=O)c3c(cc(cc3C)-c4cnc(OC)c(OC)c4)C2	10467
+c1cc(ccc1)OC(=O)Nc2ccc(nc2)-n3nnnc3	950
+C(C)OC(c1cnc(c(C)c1)Nc2ccc(C)nc2)=O	1970
+c1ccccc1-c2ccc(cn2)N	119
+c1cc(ccc1)OC(=O)Nc2ccc(C#N)nc2	950
+N(c1cnc(cc1)C(OC)=O)C(=O)C2CCCN(c3nc(c4ncsc4n3)Nc5ccc(OC)c(c5)OC)C2	469
+c1(ncc(c(n1)CCc2ccccc2C(C(=O)N)C)Cl)Nc3cnncc3	949
+c1cc(cc(c1OC)C(c2c(N)nc(cc2)Cl)=O)F	3060
+c1cc(ccc1F)C(c2c(N)nc(cc2)Cl)=O	10468
+c1ccccc1Nc2cc3c(sc(c3C)-c4nc(N)ncc4)cc2	3099
+c1cc(ccc1C#N)Nc2ncc(c(NCCC)n2)C(OCC)=O	490
+O=S(=O)(c1ccc(cc1)Nc2nc(c(F)cn2)-c3cnc(n3C)C)C	490
+C(C#C)N1C(NC(N(C1=O)c2c(Cl)cc(F)c(c2)N)=O)=O	106
+c1(N2CC(CNC(C)=S)OC2=O)ccc(-c3scc(n3)Cn4ccnc4)c(F)c1	199
+c1cc(ccc1-c2c(cc(N3C(=O)OC(COc4nocc4)C3)cc2)F)CO	134
+c1ccccc1Cn2nnc(c2)-c3c(cc(cc3)N4CC(OC4=O)Cn5nnc(c5)C)F	2352
+c1(N2CCOCC2C)nc(Cl)nc(CO)c1	398
+c1(cc(N2CCOCC2C)nc(n1)Cl)C(=O)O	1
+c1cc(ccc1OCc2csc(NC(=O)C)n2)CCCCn3ccnn3	2088
+c1(c(cc(N2C(=O)C=CC=C2)cc1)C(=O)O)NC(=O)CCNC(c3sc(cc3)Cl)=O	1
+Nc1c(C(=O)C)cc(c(c1)OC)CC	106
+Nc1ccc(c(CC)c1F)Cl	106
+Nc1c(C(=O)OC)cc(c(Cl)c1)[N+]([O-])=O	106
+c1cc2c(c(c(C(=O)C)c(O)n2)O)cc1I	10469
+c1(NC2CCCOC2)c(N)cnc3ccsc13	13
+c1cc(ccc1Oc2c(c(c(cn2)[N+]([O-])=O)NCC)Br)F	136
+c1c(N)c(NCc2ccc3c(oc(SC)n3)c2)cc(Cl)c1Br	0
+c1c(cc(NCc2ccc3nc(SC)sc3c2)c(N)c1)Br	0
+c1c(cc(NCc2cncc(F)c2)c(N)c1)Br	0
+n1c(C(O)=O)c2c(cc(cc2)Nc3ccccc3C(OC)=O)n1C4CCCCO4	1
+c1(Nc2ccnc(n2)Nc3cccc(C(=O)O)c3)c(Cl)ccc4OCOc14	55
+c1cc(ccc1)COc2cc(F)c(F)cc2CCO	22
+Nc1c(O)c(Cl)cc(F)c1N2N=NN(CCCF)C2=O	0
+c12c(Cl)ccc(C)c1CCCO2	20
+Clc1cc(C(=O)OC)c(cc1)OCCCBr	5014
+c1(O)c([N+]([O-])=O)cc(cc1O)C(CO)=O	10470
+Nc1c(O)c(Br)ncc1	0
+Nc1c(O)cc(F)cn1	161
+c1(CN2C(=O)C=C(C)C(Cl)=N2)cc(ccc1)C(=O)OC	10471
+c1ccccc1COc2c(c(O)cc(c2)C(=O)OC)Br	22
+c1cc(ccc1)C=CC(=O)Oc2c(cc([N+]([O-])=O)cc2)[N+](=O)[O-]	5015
+Oc1cccc(O)c1N	0
+c1cc(ccc1)COc2nc(ccc2[N+]([O-])=O)Cl	1424
+c1(CN2N=C(Cl)C=CC2=O)cc(ccc1)C(=O)OC	10472
+c1(OC(C(OCC)=O)CCC=Cc2c(ccc(c2)OC)O)c(cccc1)OC	858
+c1ccccc1CC(C(O)C(O)=O)NC(=O)c2cc(cc(c2C)OC(C)=O)C	93
+c1cc(cc(c1OC)-c2cc([N+]([O-])=O)ccc2)CCN3C=CC=CC3=O	562
+c1(OC)c(OC)c(cc2nc(CO)ccc12)OC	453
+c1(OC)c(OC)nc(cc1)CN	421
+c1c(c(cnc1-c2cc(cnc2)C)-c3nccs3)C(=O)NCc4ccc(OC)c(OC)n4	14
+c1cc(c(c(F)c1F)COc2cc(N)c(Cl)cc2OC)OC	0
+C(Nc1c(c(ccc1C)O)C)c2cc(OC)cc(-c3cc(F)ccc3)c2	162
+C(Nc1c(c(ccc1F)O)F)c2cc(OC)cc(-c3cc(F)ccc3)c2	162
+c1(OC)cc(F)cc(CO)c1	49
+c1cc(N)c(Nc2c(C)cc(OC)cc2)cc1	0
+c1(OC)cc(CCN)cc(Br)c1	51
+O=Cc1cc(OC)cc([N+]([O-])=O)c1	39
+c1(-c2cc(F)ccc2)cc(cc(I)c1)O	5
+c12c(c(ncn1)Nc3cc([N+]([O-])=O)cc(OC)c3)scc2	10473
+c1cc(ccc1)CNCCn2nc(-c3cc(cc(F)c3)OC)c4c(N)ncnc24	10474
+c1(OC)cc(C(=O)O)cc(-c2cc(F)ccc2)c1	1
+c1ccccc1-c2cc(cc(OC)c2)C(OC)=O	11
+c1ccccc1COC(NC2C(OC)CN(c3cc(cc(C(=O)OC)c3)OC)CC2)=O	79
+c1c(OC)c(ccc1CNCC(Nc2cc(Br)cc(c2)OC)=O)OC	402
+COc1cc(cc(OC)c1)C#Cc2cnc(nc2)Nc3ccc(N4CCC(CC4)N5CCN(CC5)C)c(OC)c3	1472
+C1(CN(CC(C)N1C)c2ccc(cc2)C(Nc3cc(OCc4cc(OC)cc(OC)c4)[nH]n3)=O)C	4435
+O(C)c1cc(cc(OC)c1)NC(=O)c2c(F)cccc2F	50
+O(C)c1cc(cc(OC)c1)NCCNCc2ccccc2	1350
+c1(cc(cc(OC)c1)N2CC(CNS(=O)(=O)c3ccc(cc3)NS(=O)(=O)CC)N(Cc4ccccc4)CC2)OC	71
+O(c1cc(cc(OC)c1)OC2C(=O)N3CCCc4c(C23c5ccccc5)cccc4)C	10475
+O(c1cc(cc(OC)c1)OC2C3(N(CC(=O)N(CCC)c4c3cc(Cl)cc4)C2=O)c5ccccc5)C	5016
+c1cc(ccc1)CN2C(CN3C(C(Oc4cc(OC)cc(c4)OC)C3(c5cc(ccc25)Cl)c6ccccc6)=O)=O	5016
+c1ccccc1Cc2c(cc(cc2OC)Br)OC	394
+C(Oc1c(OC)cc(C)c(c1OC)C(=O)c2c(OC)ccc(Cl)c2C)(=O)CC	358
+c1c(OC)c(c(cc1CCO)OC)OCc2ccccc2	95
+COc1cc(cc(OC)n1)CCC(OC)=O	159
+O(C)c1cc(cc(OC)n1)C=O	39
+c1(OC)cc(CO)cc([N+]([O-])=O)c1	49
+Oc1c(ccc(C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O)c1)O	5
+c12c(c(cn1C)-c3cc4c(ncc(c4)Cl)[nH]3)cc(c(OC)c2)OC	10476
+c1(c(ccc(-c2cc(c(OC)cc2)F)c1)C(=O)O)[N+]([O-])=O	1
+c1(OC)ccc(C(NCCn2nnc(C(O)=O)c2)=O)c(c1OC)OC	1
+c1cc(ccc1C(C#N)NC(=O)c2nnn(c2)CCNC(c3c(c(c(cc3)OC)OC)OC)=O)Br	312
+O=Cc1cc(C)c(cc1OC)OC	2224
+c12cccc(c1CNC2=O)OC	1598
+COc1nc(nc(OC)n1)Oc2cccc(c2C(O)=O)Cl	426
+c1c2n3c(c(C(O)=O)cn3)c(OCC)nc2ccc1	6
+c1(nc(Br)cc(OCC)c1)C	174
+c1(c(OCC2Oc3ccccc3OC2)c4ccccc4cc1)C(O)=O	1
+c1cc(ccc1)NCCCCCCCCOc2cccc3ccccc23	1350
+c12c(cccc1)C(=O)N(C2=O)CCCCCCCCOc3cccc4ccccc34	851
+c1c(CO)c(c(OCCOC)cc1)OC	98
+c1cc(ccc1S(=O)(=O)N2CCOCC2)C=Cc3ccc(c(OCOC)c3)OCOC	722
+Clc1c(ccc(Cl)c1)Oc2c(N)ccc(c2)Cl	0
+c1(Oc2cccnc2)cc(cc(N)c1)F	0
+c1(Oc2cnc(cc2)N)cc(C)cc(NC(c3cc(nn3C)C)=O)c1	161
+CC(C)COc1cc(Br)cc(Sc2c(cc(OCC(=O)OCC)c(C)c2)C)c1	1336
+c1cc(cc([N+]([O-])=O)c1SC)C(Nc2cnc(cc2)-c3ccccc3F)=O	487
+c1(nc(N2CCc3c(C2)cnc(SC)n3)ccc1)C(=O)OC	323
+n1ccc(O)nc1Nc2cccc(-c3csc(n3)C)c2	1334
+c12c(C)csc1cc(Cl)c(F)c2	3148
+O(c1nc2c(nc1OC)cc(Cl)c(Cl)c2N)C	13
+c1(Cl)c(c(N)c(c(c1)Cl)C(=O)OC)OC	0
+O=S(=O)(C)c1cc(cc([N+](=O)[O-])c1)N	0
+c1c([N+]([O-])=O)c(C)ccc1C(C)O	74
+c1(-c2cn3nc(ccc3n2)Cl)cc([N+]([O-])=O)c(C)cc1	1749
+c1cc(cc([N+]([O-])=O)c1N)C2=CC(=O)c3ccc(c(c3O2)OC)OC	106
+c1(cc(C#N)cc([N+]([O-])=O)c1O)C(=C)C	5
+c1([N+]([O-])=O)c(cccc1)-c2cc(O)ccc2	5
+O=Cc1cccc2[nH]c(-c3c([N+]([O-])=O)cccc3)nc12	200
+Nc1ccc(Cl)c(Br)c1	0
+c1([N+]([O-])=O)ccc(Cl)c(-c2ncccc2)c1	4728
+c1(N)cc(C#N)ccc1NCC=C	0
+c1(N)cc(C(=O)O)ccc1NCC	0
+c1(N)cc(C(=O)O)ccc1NCCCC	0
+c1(N)cc(C(=O)O)ccc1NCCOC	0
+n1c2n(cc(Br)c1)cc(-c3c(Cl)ccc([N+]([O-])=O)c3)n2	10477
+c1(C)c(N)cc(c([N+]([O-])=O)c1)F	106
+c1ccccc1COc2ccc(cc2Cl)[N+](=O)[O-]	57
+c1ccccc1[Si](c2ccccc2)(OCC3=CC=CN(C3=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)(C)C	10478
+c1c(Oc2cccc3sncc23)c(Cl)cc([N+]([O-])=O)c1	46
+c1c(Oc2cc(cnc2)C(=O)OC)c(Cl)cc([N+]([O-])=O)c1	551
+c1cc(ccc1)-c2c(Cl)cc(cc2)[N+]([O-])=O	134
+O=C1N(CCO1)c2ccc([N+]([O-])=O)cc2Cl	10479
+C(O)c1ccc([N+]([O-])=O)cc1Cl	49
+c1cc(c(cc1)Sc2cc([N+]([O-])=O)ccc2C(=O)O)N	825
+c1(CCO)ccc([N+]([O-])=O)cc1Cl	21
+c1([N+]([O-])=O)cc(Cl)c(cc1)CC(=O)O	4
+c1c2c(-c3ccnc(n3)Nc4cc([N+]([O-])=O)c(cc4OC)F)c[nH]c2ccc1	55
+[N+](c1cc(c(OC)cc1F)Nc2nc(ccn2)-c3cn(C)c4ccccc34)([O-])=O	55
+Cc1c(nc(nc1)Nc2cc([N+]([O-])=O)c(cc2OC)F)-c3c4ccccc4n(C)c3	55
+n1ccc(-c2cnn3ccccc23)nc1Nc4c(OC)cc(c([N+]([O-])=O)c4)F	55
+n1ccc(-c2cnn3c2CCCC3)nc1Nc4c(OC)cc(c([N+]([O-])=O)c4)F	55
+O(c1cc(N)c(cc1CC)F)C(=O)OC	0
+Nc1cc(OCC=C)c(cc1)C#N	0
+c1cc(ccc1F)C2CCc3c(NCCNCCOc4c(ccc(c4)[N+]([O-])=O)C#N)nc(nc23)Cl	132
+c1(C(NCc2cc3c([nH]c(C(=O)OC)c3)nc2)=O)c(C)ccc([N+]([O-])=O)c1	14
+c1nc(ncc1NC(c2cc(ccc2C)[N+]([O-])=O)=O)N	4861
+C(O)c1c(Cl)ccc([N+]([O-])=O)c1	49
+c1cc(ccc1N)Nc2ccc([N+]([O-])=O)cc2C(=O)O	1370
+C(Cc1c(Cl)cc(F)c(N)c1)(OCC)=O	0
+C1CC1(Oc2cc([N+](=O)[O-])c(cc2Cl)F)C(=O)OCC	5017
+c1(cc([N+]([O-])=O)ccc1C(CCl)O)Br	74
+c1cc(ccc1C#N)CCOc2cc([N+]([O-])=O)ccc2	20
+c1ccc([N+]([O-])=O)cc1OCC2CO2	10480
+c1ccccc1OCCCCCOc2cccc([N+]([O-])=O)c2	8
+c1([N+]([O-])=O)cc(C(=O)O)ccc1NC	1
+c1(N)cc(ccc1NCCCl)C(=O)OC	0
+c1ccccc1C(Oc2c([N+](=O)[O-])cc(cc2)C(=O)C)CC	4214
+Nc1cc-2c(OCc3n-2cc(C(=O)OC)n3)cc1	0
+Nc1cc2OCCNC(c2cc1)=O	0
+Nc1cc2c(cc1)nc(o2)C	0
+c1cc(ccc1)COc2c([N+]([O-])=O)cc3c(CCC4C5C(C)(C(CC5)=O)CCC34)c2	22
+c1([N+]([O-])=O)cc2c(cc1F)ncnc2Nc3cccc(C#C)c3	73
+c1([N+]([O-])=O)cc2c(cc1F)ncnc2Nc3cc(c(cc3)OCc4cccc(F)c4)Cl	73
+c1cc(ccc1Nc2ncnc3cc(c([N+]([O-])=O)cc23)F)Oc4ccccc4	73
+c1(N)cnc(-n2nnnc2)cc1	13
+c1([N+]([O-])=O)ccc(c(CCO)c1)Br	95
+c1ccccc1C=2CCN(CC=2)CCC#Cc3ccc(cn3)[N+]([O-])=O	769
+Nc1ccc(Cl)c(-c2c(cncc2)F)c1	0
+Nc1ccc(Cl)c(-c2ncccc2)c1	0
+c1ccccc1CN2CCN(c3ccc([N+](=O)[O-])cn3)CC2=O	806
+Nc1cc(F)c(N2CC(N(CC2)CC)=O)cc1	0
+c1ccccc1COc2cc([N+]([O-])=O)ccc2NC(C)=O	22
+Nc1cc(c(cc1)O)F	0
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(=O)OC)s3	680
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ccc(CCN5CCCC5=O)cn4	680
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4cn(cn4)CCC	680
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4sccn4	680
+c1cc(ccc1F)-n2ncc3cc(ccc23)Oc4ncc([N+](=O)[O-])cc4	1708
+Nc1cc(c(cc1)C(=O)N)F	0
+O=Cc1ccc([N+]([O-])=O)cc1F	760
+c1([N+]([O-])=O)ccc(nc1)Oc2c3c(OCC(C3)C)ccc2	136
+c1cc(ccc1)-c2ccc(cn2)[N+](=O)[O-]	140
+c1cc(ccc1)C2CCc3c(ccc(Oc4ncc([N+](=O)[O-])cc4)c3)C2	136
+C1CN(CCN1Cc2ccccc2)c3ncc(cc3)[N+](=O)[O-]	43
+c1cc(ccc1Sc2ccc([N+](=O)[O-])cn2)CCC(=O)O	5018
+c1ccccc1C2CCc3c(O2)ccc(Oc4ncc([N+](=O)[O-])cc4)c3	136
+c1ccccc1CNc2ccc([N+](=O)[O-])cn2	70
+c1ccccc1Cc2c3ccccc3c(N4CCN(CC4)c5ccc([N+]([O-])=O)cn5)nn2	43
+n1c(OCC(OC)=O)ccc(N)c1	13
+n1c(Oc2c3c(OCC(C3)C)ccc2)ccc(N)c1	13
+Nc1cc2CN(C(c2cc1)=O)C	0
+Nc1cc2CC(N(c2cc1)C(CF)C)=O	0
+c1ccccc1N2C(=O)c3c(N=C2CCl)ccc([N+](=O)[O-])c3	2103
+C(NC)(=S)C1c2cc([N+]([O-])=O)ccc2OC(C)(C1O)COC	10481
+c1cc(ccc1C(C2C(N(c3c2cc(cc3)[N+](=O)[O-])C(C)=O)=O)=O)C	10482
+Nc1cc2c(Cl)nsc2cc1	0
+Nc1cc2c(cc1)nc(cc2C)Cl	0
+Nc1cc2c(cc1)[nH]c(c2)C(C)CO	0
+c1cc(ccc1)Sc2c(cc(cc2)Nc3c(C#N)cnc4c3cc(cc4)[N+](=O)[O-])Cl	179
+c1c(N)cc(C(O)CO)cc1	0
+c1(ccccc1Cl)-c2n3c4ccc(cc4nc(C)c3c(C)n2)OCc5cccc([N+]([O-])=O)c5	22
+O(Cc1cccc([N+]([O-])=O)c1)c2ccc(C(=O)C)c(c2)O	22
+c1cc(ccc1C(C)C)C(=O)c2cc(OCC#C)ccc2NCc3cc(ccc3)[N+](=O)[O-]	608
+c1c(N)cc(CCNC(C)=O)cc1	0
+c1cc(ccc1C(=O)c2n(C)c(cc2)Cc3cc(ccc3)[N+]([O-])=O)C	1873
+c1cc(ccc1F)NC(=O)c2c(Cl)cccc2[N+](=O)[O-]	67
+c1cc(ccc1C)-c2nc3cccc(c3nc2-c4ccc(cc4)C)[N+](=O)[O-]	3113
+c1(-c2c(Cl)cnn2C)cc(ccc1OC)NC(Nc3cc([N+]([O-])=O)ccc3)=O	124
+c1ccccc1Cc2c(nc3ccc(cc3c2)NC(Nc4cccc([N+](=O)[O-])c4)=O)Oc5c(C(=O)C)cc(cc5)F	124
+c1cc(ccc1COc2cccc([N+](=O)[O-])c2C(C)O)OC	139
+c1cnccc1CNC(N2CCCCC2COc3cccc(c3C#N)[N+](=O)[O-])=O	468
+c1c2c(CCCNCCOc3c(c([N+]([O-])=O)ccc3)N)c[nH]c2ccc1	284
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+c1cc(ccc1Oc2c(N)cccc2)OCc3cccc([N+](=O)[O-])c3	139
+c1(c([N+]([O-])=O)cccc1O)C#N	5
+c1(ccc(cc1OC)-n2nc(cc2)N)Br	161
+c1cc(ccc1F)-c2cc(CNc3c(cnc4cccnc34)[N+](=O)[O-])on2	2347
+c1c(Cl)nc(c(C)c1)C(=O)OC	174
+c1(nc(Cl)ccc1)COC(C)=O	174
+c1cc(ccc1Cn2c(CCC(=O)O)c(c3cc(F)ccc23)C)-n4cncc4	962
+c1cc(ccc1-c2cc([nH]c2)C(OC)=O)Cl	550
+c1cnccc1CN2c3nc(N)nc(Cl)c3C(=Cc4[nH]cc(C(=O)O)c4)C2=O	2709
+C(=CC(OCC)=O)c1cc(c[nH]1)CCCC	10483
+c1cc(ccc1C)S(=O)(=O)n2cnc(C=O)c2	10484
+C(Nc1cc(ccc1)F)(=O)Cc2cc(Nc3ncnc4cc(OC)cc(OC)c34)n[nH]2	349
+c1(cc(n[nH]1)[N+]([O-])=O)C(Nc2cccc(c2)F)=O	187
+c12c(C(=O)N(C1=O)C(C)(C)Cn3nc(-c4cc(c(C#N)cc4)C)cc3)cccc2	2426
+c1(ccc(Cl)c(c1)CNC(C)=O)-c2nn(-c3ccc4c(CCCO4)c3)cc2	568
+c1ccc(Oc2cc(OC(c3[nH]nnn3)C)ccc2)c(N)c1	0
+c1cc(ccc1)C(=O)N(Cc2c(-c3cc(CC(OCC)=O)ccc3OC)ccc(-c4cnc(OCC)cc4)c2)CC	115
+c1cc(ccc1)CNC(=O)N(CC)Cc2c(ccc(-c3cnc(OCC)cc3)c2)-c4cc(CC(OCC)=O)ccc4OC	384
+c1ccccc1CN2Cc3ccnc(Nc4cc(-c5cc6ccccc6cn5)c(C)cc4)c3CC2	1759
+c1(c(-c2ccc(s2)Cl)nn(c1)C(C)CC)-c3cc(Cl)ncc3	174
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+c1ccccc1C#Cc2c(nc(-c3ccco3)c(-c4ncncc4)c2)N	1240
+c1c(c(Br)c(C)cc1N)CC(OC)=O	0
+c1cc(ccc1C#N)OCCCCOc2ccc(c(c2Br)O)C(C)=O	8
+c1(c(N)cc(c(c1Cl)F)Br)F	0
+c1(c(Br)cccc1N2N=C(C(=O)O)C(=O)C(=C2)OC)F	4
+c1(CO)c(Br)ccnc1	269
+c1cc(ccc1CCCn2ccnc2)OCc3coc(-c4cc(C)c(s4)Br)n3	547
+c1(c(CN)c(O)nc(CC)c1)C	388
+c1(c(CN)c(O)nc(CCC)c1)C	388
+c1(c(CN)c(OC)nc(CO)c1)C	388
+c12c(C(=O)N(C1=O)Cc3cc(C)c(C#N)c(n3)OC)cccc2	2181
+c1(c(C#N)c(OC)nc(CO)c1)C	194
+S(C)c1c(c(N)ccc1)C#N	0
+c1cc(ccc1CN2C(=O)C(=C(C=N2)C)C#N)OC	10485
+c12ccc(Nc3nc(Cl)cc(c3C(=O)OC)C#N)cc1n[nH]c2	201
+Cc1cc(ccc1)Nc2nc(Cl)cc(c2C(=O)OC)C#N	201
+S(c1cc(ccc1)Nc2nc(Cl)cc(c2C(=O)OC)C#N)C	201
+c1cc(ccc1Cl)C(=O)c2cccc(C#N)c2C	222
+c1cc(ccc1)COC(N2CC(C(CC)C2)Nc3c(C(N)=O)cnn4cc(nc34)Br)=O	10486
+c1(nnc(o1)C)-c2cc(Br)cnc2N	2145
+c1ccccc1CC(NC(c2c(cccc2N)[N+](=O)[O-])=O)C(OC)=O	259
+c1cc(ccc1F)CNC(c2c(O)c(c(nc2)C)Br)=O	56
+c1c(C)c(C(Nc2ncc(Br)nc2)=O)cnc1	10487
+c1ccc(NC(c2occc2C)=O)cc1C#C	768
+c1ccccc1CNC(c2c(C)cco2)=O	1619
+c1(C(=O)C)c(c2n(cccc2)n1)-c3cc(F)ncc3	955
+C(CC)CCCCCCc1c(c(ccc1)F)F	414
+c1(cn[nH]c1-c2nc3c([nH]2)cccc3)C(OCC)=O	567
+c1(c(CO)cnc(Cl)c1C)NC	351
+c1(c(N)c(Cl)ncc1C(OCC)=O)NC	13
+Cc1c(c(c(cc1)C)Oc2cnnc(O)c2)C	3149
+c1(c(c(N)ccc1C)C)Cl	0
+c1(c(C)cc(C)cc1OC)-c2n3nc(CC)c(N)c3c(OC)cc2	209
+C(O)c1c(Cl)cc(c([N+]([O-])=O)c1)C	49
+c12n3c(C(NC3=O)Cc4c(C)cc(OC)cc4)nc1cccc2	10488
+C(C(C)[N+]([O-])=O)c1cc(ccc1C)F	3150
+c1cc(ccc1)CNC(=O)c2cnc(Cl)cc2-c3c(cccc3)C	4056
+c1(c(C)cnc(c1C)CO)Cl	629
+c1(c(C)cnc(C(=O)O)c1C)Cl	6
+c1cc(ccc1OCc2ccccc2)N(C)C(c3c(C)n(cc3)C)=O	3758
+N#Cc1c(c2c(nc1)c(Cl)cc(c2)NCc3ncn(C)c3C)Nc4cc(Cl)c(cc4)F	10489
+c1(c(C2=NC(C(N(C)c3ccc(N)cc23)=O)C)cccc1)F	0
+Nc1ncc(c(C)c1)C=CC(N(Cc2n(c3c(cccc3)c2)C)C)=O	404
+c1cc(ccc1)COC(Nc2ccc3c(c[nH]c3c2)C(c4c(cccc4)F)C[N+]([O-])=O)=O	10490
+c1(c(C=O)[nH]c(C(=O)O)c1)C	6
+C(Cc1c(CO)cccc1)CCCCCCC	41
+C(c1c([nH]cc1C)C)C(=O)O	2603
+c1cc(ccc1)COC(=O)Nc2c3c(c(CC(OCC)=O)c(c2)[N+]([O-])=O)cccc3	90
+c1ccccc1COc2ccccc2CC	139
+Nc1c(F)c(ccc1O)CCCl	10491
+c1(O)c(CCO)cc(F)c(F)c1	5
+CC(C)n1ncc2c(cc(-c3ccncc3)nc12)C(NCc4c(O)nc(CC)cc4C)=O	14
+c1cc(ccc1)C(c2ccccc2)C3C(CCN(Cc4c(OC)c(cc(Br)c4)Br)C3)=O	889
+c1cc(ccc1F)C(c2ccc(cc2)F)C3C(CCN(Cc4c(OC)c(cc(Br)c4)Br)C3)=O	889
+c1(c(C=O)cnc(Cl)c1C)NC	200
+c1(c(Cl)nc(Br)cc1[N+](=O)[O-])NC	174
+C(=O)(c1ccccc1NC(c2cc(c(cc2)OC)Cl)=O)O	1
+c1(cc2c(NC(=O)CC(c3ccnc(-c4onc(c4)C)c3)=N2)cc1Cl)N(C)CCOC	1222
+C(OC(=O)C)C1C(C(OC(=O)C)C(n2c(Br)nc3cc(c(Cl)cc23)Cl)C1)O	59
+Nc1cccc(Cl)c1I	0
+c1ccccc1CC(Nc2c(c(O)ncc2)-c3nc4c(C)cc(cc4[nH]3)Br)CO	105
+c1c(c(Cl)cnc1Nc2n(nc(C)c2)CC)Nc3c(C(NC)=O)cccc3F	346
+c1(c(Cl)nc(Br)cc1N)NC	0
+c1cc(ccc1CCO)Nc2nc(C)cc(C)c2[N+]([O-])=O	201
+c1(c(Cl)nc(SC)nc1)C=O	1195
+c1(c(Cl)ncc(CO)c1)C	382
+c1cc(ccc1OC)COc2cc(c(nc2)Cl)C	1900
+c1(c(Cl)ncc(O)c1)C	2156
+c1(c(Cl)ncc(C(=O)O)c1)C	1
+c1(c(Cl)ncc(N)c1)C	13
+c1(cc(CN2Cc3c(Cl)nccc3C2=O)cnc1-n4nccc4)C	3047
+c1cc(ccc1-c2c(Cl)nccn2)Cl	696
+c1cc(ccc1Oc2nccnc2Cl)C(=O)c3[nH]c4c(n3)cccc4	842
+O=Cc1c(F)c(c(O)cc1)F	5
+c1cc(ccc1S(=O)(=O)OC(C)COc2c(F)c(F)ccc2[N+]([O-])=O)C	36
+c1(c(F)c(c(c(OC)c1)F)N2C(C3(CC3)c4cc(-c5c(N)cnn5CCOC)ncc4C2)=O)OC	209
+c1(c(F)c(c(c(OC)c1)F)N2Cc3cnc(CN)cc3C4(CC4)C2=O)OC	421
+c1c(c(c(cc1)F)F)C(c2c(cc(cc2)OC)OC)=O	705
+c1cc(ccc1OC)C(=O)c2cccc(F)c2F	705
+Nc1cnccc1Nc2cccc(c2F)F	13
+c1cc(ccc1Sc2c(c(ncn2)CC)F)Cl	1124
+c1(c2ccc(c(F)c2ccc1)O)C(=O)O	1
+CC(=O)Nc1cc(ccc1)Nc2c(cc(cc2)C(=O)O)[N+]([O-])=O	275
+c1ccccc1Nc2c([N+]([O-])=O)cc(C(=O)O)cc2	275
+c1cc(ccc1Br)NC(=O)c2ccc(F)c(c2)[N+](=O)[O-]	67
+c1cc(ccc1Oc2ccnc(-c3cc(C(OC)=O)sc3)c2)NC(Nc4cc(ccc4F)C)=O	124
+c1cc(ccc1S(=O)(=O)Nc2cc([N+]([O-])=O)c(cc2)F)NC(C)=O	69
+c1ccccc1C(Nc2ccc(F)c([N+]([O-])=O)c2)=O	50
+O=S(=O)(c1ccccc1)Nc2ccc(F)c(c2)[N+](=O)[O-]	69
+c1cc(ccc1Oc2ccccc2)NC(=O)Nc3ccc(c([N+]([O-])=O)c3)F	124
+c1(c(F)ccc([N+]([O-])=O)c1)-c2cc(CO)ccc2	49
+c1(c(F)ccc([N+]([O-])=O)c1)C(CC)(N)CCO	21
+n1ccn(-c2ccc(cc2[N+]([O-])=O)C3=C(C(NC3)=O)C)c1C	431
+c1ccccc1CN(Cc2ccccc2)C(C(=O)O)C(C3CC3)Oc4c([N+](=O)[O-])cc(cc4)F	57
+c1ccccc1Sc2ccc(F)cc2[N+](=O)[O-]	815
+c1cc(ccc1N(C(C)C)C(=O)CNc2c([N+](=O)[O-])cc(F)cc2)OC	2002
+c1ccccc1COC(NC2C(CN(c3ccc(F)cc3[N+]([O-])=O)CC2)F)=O	34
+c1cc2c(cccc2)nc1COc3cc([N+]([O-])=O)c(F)cc3	412
+c1cc(ccc1F)-n2c(C(N(OC)C)=O)cnc2SCc3c(F)c(ccc3F)F	10492
+c1cc(c(cc1)F)C(c2c(cccc2)F)Oc3c(C(=O)OC)cc(NC(Nc4ccc(c(OC)c4)OC)=O)cc3	124
+c1cnn(n1)-c2c(cccc2F)C(=O)O	10493
+c1(c(F)cccc1Cl)-c2nc3cc(ccc3o2)C(C)C(=O)O	4
+c1(Cl)c(F)nc(c(Cl)c1CO)F	41
+c1(c(ncc(c1)C(N=S(CCCCC(OC)=O)(C)=O)=O)N)C#Cc2cccc(NC(c3occc3C)=O)c2	2281
+c1cc(ccc1C(=O)Nc2c(ccc(c2N)Br)OC)C(C)C	67
+c1c(c(C)c(NC(c2c(ccc(c2)-c3cc(ccc3)F)F)=O)c(F)c1)O	67
+c1(cc(C)c(OC)c(c1)C(=O)Nc2c(c(ccc2F)O)C)-c3cc(F)ccc3	67
+CCOC(C1=CN(C2CC2F)c3c(C1=O)c(cc(F)c3C)[N+](=O)[O-])=O	480
+c1cc(ccc1-c2c(C(NC)=O)c3c(cc(N(C)S(=O)(=O)C)c(c3)C4CC(N(C4)C)C(Nc5c(F)cccc5O)=O)o2)F	33
+c1cc(ccc1COc2cccc([N+](=O)[O-])c2N)OC	139
+c1ccccc1COc2cccc([N+](=O)[O-])c2N	22
+Clc1c([N+]([O-])=O)cc(c(NC(c2ccc(c(Cl)c2)Cl)=O)c1)O	50
+c1(F)cccc(F)c1C(=O)NC(=O)Nc2c(F)c(c(F)c(Br)c2)Cl	2462
+c1ccccc1COC(=O)Nc2ccc([N+](=O)[O-])cc2O	90
+c1cc(ccc1N2CCOC2=O)-c3ccc(n3-c4c(C)cc(C(N)=O)cc4)CCC(OCC)=O	2387
+c1ccccc1C#Cc2ccc(c(c2)C)N	129
+c1(c(N)ccc(Oc2ccc(cc2C#N)F)c1)C	46
+n1c2ccc(nc2ccc1)-c3c(Cl)ccc([N+]([O-])=O)c3	10494
+c1c2c(ncc(c2Nc3cc(c(Cl)cc3Cl)OC)C#N)cc(I)c1OCCOC	10495
+c1cc(ccc1F)N2CCN(CC2)CCC(Nc3ccc(F)cc3[N+](=O)[O-])=O	3941
+Nc1c(C)c(c(cc1)C#N)F	106
+c1ccccc1S(=O)(=O)NC(c2ccc(NC(C)=O)c([N+](=O)[O-])c2)=O	258
+Nc1ccc(cc1[N+]([O-])=O)OCSC	106
+c1(c(NC2=C(C(CCC2)=O)C)cc(N)cc1)Cl	0
+c1cc(ccc1-n2c(C(=O)OCC)c(O)c(c2C(=O)OCC)OCc3ccccc3)OC	483
+c1c(Cl)cc([N+](=O)[O-])c(O)c1C(c2cc(Cl)cc([N+](=O)[O-])c2O)O	488
+OP(O)(=O)CC(C)=CCc1c(c2C(OCc2c(c1OC)C)=O)O	1560
+c1(ccccc1Cl)Oc2cc(c(C(C)=O)cc2)Cl	46
+c1(Oc2c(O)cccc2)c(ccc(F)c1)[N+]([O-])=O	46
+c1(C(=O)O)c(O)nc2c(ccnc2)c1	1
+C(Br)CCCCCc1cccc(O)c1OC	5
+c1(C(=O)O)ccc(OCCCCCCc2c(c(OC)ccc2)OC)cc1O	1
+c1cc(ccc1OCC(=O)N(Cc2cccc(OC)c2OC)CCCC)CC(OCC)C(OCC)=O	10
+C(CCc1c(OC)c2ccccc2c(c1)OC)CO	237
+c1c2ncnc(Sc3cccc(c3)N)c2cc(OC)c1OC	1124
+c1(c2cc(c(OC)cc2ncn1)OC)N3CCc4c(Br)cccc34	860
+C1CN(CCN1c2c3c(ncn2)cc(OC)c(c3)OC)c4ncc(cn4)O	54
+Nc1cc(cnc1OC)C(=O)OC	13
+O(c1ncc(C(=O)O)cc1[N+](=O)[O-])C	1
+CCCCCCOc1ccc(C=O)cc1OCCCCCC	2224
+c1ccccc1NC(=O)c2cc([N+](=O)[O-])c([N+]([O-])=O)cc2	50
+COc1c(cc(cc1)C(=O)c2ccc(c(c2)OCC)OC)[N+](=O)[O-]	335
+c1(N)cc(C)c(Cl)cc1NCCCC	0
+Nc1c(OC)cc(C(=O)OC)c(F)c1	0
+Nc1cc(c(C)cc1OC)O	0
+c1(c([N+]([O-])=O)cc(CN)cc1F)Cl	107
+C(N1C(c2c(C(=C1)C(=O)OC)cc(N)c(c2)OC)=O)C	0
+Nc1c(OC)cc2c(c(Nc3cc(Cl)c(F)cc3)c(C#N)cn2)c1	0
+c1c(c(cc(c1)Nc2c3cc(N)c(OC)cc3ncn2)Cl)OCc4ncccc4	0
+Nc1c(OC)cc2c(c1)c(ncn2)Nc3cccc(C#C)c3	0
+c1cc(N)c(CNc2ncnc3cc(NCC)c([N+]([O-])=O)cc23)cc1	40
+c1(c([N+]([O-])=O)cc2c(c1)ncnc2Nc3cccc(C#C)c3)OC	73
+c1(c([N+]([O-])=O)cc2c(c1)ncnc2Nc3cc(c(cc3)OCc4ncccc4)Cl)OC	73
+C1CCC(C1)c2ccccc2[N+](=O)[O-]	191
+c1cc(ccc1Oc2cc(ccc2)OCC=C)CNc3cccc([N+]([O-])=O)c3C=C	208
+c1(c(Cl)nc(cc1C)Cl)[N+]([O-])=O	174
+C(c1c(F)c(cc([N+]([O-])=O)c1)N2CCCC2=O)(=O)OC	2795
+c1(c(N)c(cc2nsnc12)C(=O)O)Cl	1
+CC(O)c1c(O)c(ccc1)Sc2c(F)cccc2	74
+C1CC(CCN1Cc2ccccc2)Nc3c([N+](=O)[O-])cccc3C	205
+O=Cc1c(c(c(C)cc1)I)F	39
+Clc1c(Cl)c(c(c(Cl)c1Cl)N)N	0
+Cc1nn(-c2c(cccc2F)C#N)cc1C=O	926
+C(O)c1c(F)ccc(I)c1C	98
+c1(c(C(=O)O)c(N)cc(Br)c1Cl)F	1
+c1(c(c(OC)c2CC(Cc2c1OC)(CCCCCCCCO)C(OCC)=O)OC)OC	21
+c1(c(c(OC)c2CC(Cc2c1OC)(CCCCCCCC(O)=O)C(OCC)=O)OC)OC	3
+C1c2c(CC1(C(O)=O)CCCCCCCCO)c(OC)c(OC)c(OC)c2OC	3
+c1(c(C)c(c(cc1)C(C)=O)C)O	5
+c1(OC)ccc(C(NCCn2cc(C(=O)OC)nn2)=O)c(c1OC)OC	14
+c1(c(c(F)ccc1Nc2n(-c3ncccc3)nc(C)c2)F)C(=O)OC	781
+c1(c(c(c(OC)c(CCN)c1C)C)C)OC	157
+c1cc(ccc1C=C(C)COc2c(c(C)c(NC=O)c(C)c2)C)C	1282
+c1(F)c(C(=O)O)c(cc(c1)Br)O	1
+c12c(cc(c(Br)c1F)F)[nH]cc2	1452
+c1ccccc1CSc2cccc(c2C)-c3cccnc3	607
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+c1cc(c(c(N)c1OC)[N+]([O-])=O)OC	0
+c12ccccc1c(N)c(N)c(Cl)n2	13
+c1ccccc1COc2c(C#N)c(ncc2)Br	2467
+c12OCC(C)N3c1c(C(C(=C3)C(=O)N)=O)c(N)c(c2F)F	0
+Nc1c(c2[nH]cnc2c(C)c1)C	0
+Nc1ccc2c(C(OC(OCC)=N2)=O)c1CC	0
+NCc1c(nc(C)c(C(C)=C)c1)C	18
+c1(c(cc(I)c(C)c1)C(=O)O)CC	1
+c1(c(cc(C)cc1)Nc2cc(O)ncc2C(=O)O)Cl	1
+c1cc(ccc1)CN2CCN(C(Cc3ccc(c(c3)Cl)Cl)=O)C4C(N5CCCC5)CCCC24	58
+c1cc(ccc1)C(Cc2ccc(Cl)c(Cl)c2)=O	832
+c1c(CO)c(Cl)cc(Cl)c1OC	49
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+c1(c(cc(c(C(=O)N2Cc3cccn3Cc4c2cccc4)c1)OC)-c5ccccc5OCC)Cl	610
+C(CCC#Cc1cc(c(-n2nc(C)nc2)cc1)OC)C(c3cc(c(cc3)Cl)Cl)O	3151
+O(C)c1c(O)c(c(cc1[N+](=O)[O-])C=O)Cl	173
+c1cc(ccc1)Nc2c(c(c(cc2C(=O)OC)[N+](=O)[O-])N)Cl	275
+c1ccc2c(c1)C(=O)N(C2=O)C3CC(CC3)c4c(F)cc(Br)c(F)c4	1579
+c1(c(-c2ccncn2)ccc(N)n1)-c3occc3	1220
+c1(c(cc(cc1)-c2scc(CC)n2)CCC)OCCCOc3ccc4n(CC(O)=O)ccc4c3	4
+c1c(ccc(C(OC)=O)n1)C(=O)NCc2ccc(c(Cl)c2)Cl	1281
+c1(c(cc(C(=O)O)cc1[N+]([O-])=O)OC)NC	1
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)N4Cc5ncc(Br)cc5C4	10496
+n1cc(c(CCC(OC)=O)cc1OC)F	159
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+n1c2c(cc([N+]([O-])=O)c(O)c2)ccc1	5
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+O=C1c2c(C(=O)N1CC3C(C)CCCN3C(c4cc(C)ccc4-c5cnn(c5)C)=O)cccc2	30
+c1ccccc1COc2ccc(C)c(C(=O)OC)c2F	22
+c1(CO)c(ccc(Cl)c1Cl)[N+]([O-])=O	41
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+c1(cc(OC)n(-c2c(cccc2)F)n1)C(=O)NC(c3ccccc3C)CC(=O)OCC	1938
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+C(NC)c1ccccc1I	162
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+c1ccccc1-c2cc(C(c3c(Cl)cccc3)=O)ccc2O	222
+o1c(nc2cc(c(cc12)-c3cnc(cc3)NC(c4c(cccc4)Cl)=O)C)C	330
+c1cc(ccc1)-c2nc(C(OCC)=O)c(O)c3c(nsc23)-c4c(cccc4)F	10497
+c1(cccc([N+]([O-])=O)c1)C(=O)c2ccc(OC)c(c2)OC	222
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+C(c1cnccc1)NC(c2c(Cl)c(Br)ccc2)=O	14
+c1c(CO)c(c(cc1)O)Cl	49
+O=Cc1cccc(C#N)c1Cl	2196
+c1ccccc1COc2cccc(F)c2F	22
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+c1cc(ccc1C#N)Oc2cccc(c2C(C)CC)OC	46
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+Clc1cc(cc(Cl)c1N=Cc2cnccc2N=[N+]=[N-])F	3026
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+c1(-c2c(cccc2)F)c(cc3NC(Nc3n1)=O)-c4c(cncc4)F	3100
+c12cc(c(-c3occc3)nc1[nH]c(-c4cc(F)ccc4)c2)-c5ccncn5	3152
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+c1(C(=O)O)cnc(c(c1)C#Cc2cccc(NC(c3occc3C)=O)c2)N	1
+c1(cc(C(=O)OC)cnc1N)OCc2c(F)cccc2	161
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+C(c1ncccc1C)NCc2ncccc2C	294
+CCc1c(cccn1)CO	351
+c1(c(nccc1-c2cc(Cl)c(cc2)C(=O)O)CC)C#Cc3cnc(cc3)N	1
+C1CN(CCN1CC(=O)Nc2sc(c(-c3occc3)n2)C(c4ncccc4)=O)c5ncccn5	224
+C1Cc2cc(OC)ccc2Sc3cccc(c13)C(=O)O	165
+c1ccc(c2CCCC(O)c12)C#N	74
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+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4ccnc(c4)Cl	174
+c1(c2OC(C)C(=O)Nc2cc(c1)C=O)O	5
+Nc1cccc2c1OC(C)C2	0
+c1cc(ccc1)Nc2nc(N(c3c(Cl)ccc4OCOc34)C)ccn2	55
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+c1ccccc1COc2c(cc(Br)c3cccnc23)Cl	483
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+C(c1cccs1)CNC(c2c3c(n(CCOC)c2)cccc3Cl)=O	56
+c1cc(ccc1Cn2c(CCCC)nc3c2nccc3C)-n4cc(c(Cl)c4C#N)Cl	1484
+c1(cc2c(cc1OC)c(C)c(N)cn2)OC	13
+c1(C=CCOC)c2cc(Br)ccn2cn1	10498
+c1ccccc1S(=O)(=O)n2c3ncc(cc3c(C(=O)OC)c2C)Br	276
+O=S(=O)(c1ccccc1)n2c3c(c(C4=CCN(C)CC4)c2)cc(C#N)cc3	367
+c1(c2cc(C#N)ccc2[nH]c1)C=3CCN(C)CC=3	274
+c1(C=O)nc(c2cc(ccc2n1)OC)NCc3ccc4OCOc4c3	2287
+C1CN(CCC1Nc2c3c(c(nn2)COC)ccc(OC)c3)Cc4ccccc4	232
+c1(n(c2c(ccc(OC)c2)c1C(=O)NCc3cc(F)c(cc3)F)Cc4ncccc4)C=O	2714
+c1(cc2c(Oc3ccc4c(cccc4c3F)C(O)=O)ccnc2cc1OC)OC	242
+c1cc(ccc1)Oc2c(CNc3ccc4c(nnc(Cl)c4c3)O)c(ccc2)Cl	250
+c1(c(NCc2cc(on2)-c3cccnc3)c4ccccc4nc1)N	13
+c1cc(ccc1C(=O)c2c(C)c(c3ccccn23)OC)[N+](=O)[O-]	4351
+O=S(=O)(c1ccc(cc1)-n2c3c(cccn3)c(C(OC)=O)c2)C	10499
+c1(cccc2OCCc12)C(=O)O	10500
+O=Cc1c2ncccn2nc1	10501
+c1c(cccc1-n2c(ncc2)C)Nc3ccn4c(c(cn4)C=O)n3	3042
+c1(c2nc(C)c(C(=O)O)n2cc(C)c1)OCc3c(c(ccc3F)OC)F	6
+c12c(c(N)c(C(=O)c3c(C)cc(F)cc3)cc1)nccc2	13
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+c1ccccc1Cn2cc(Cc3ccc(C(=O)OC)cc3OC)c4cc(NC(CCCCC)=O)ccc24	190
+c1cc(ccc1CNc2ccc(-c3c(N)nc(N)nc3CC)cc2C)S(=O)(=O)C	208
+c1cnccc1CCNCc2cc(ccc2)-c3nc(Cl)ncc3	42
+c1(C(=O)O)cc(-c2ccnn2C)c(C)s1	1
+c1(C(=O)O)cc(-c2ccnn2C)c(Cl)s1	1
+c1cc(ccc1S(=O)(=O)n2cc(I)c3cc(-c4cc(C=O)ccc4)cnc23)C	276
+c1(C(=O)O)cc(-c2n(C)ncc2F)c(Cl)s1	1
+c1(nc2ccccc2c(c1)[N+]([O-])=O)Br	2298
+c1c(N)c(NC)cc(c1Br)C#N	0
+c1cc(ccc1COc2c(Br)cc(C=O)cc2)OC	22
+c1ccccc1COc2c(O)ncc(Br)c2	483
+c1(C#N)cc(C#N)c(O)cc1	5
+c1c(Br)c(ccc1)NC(Nc2c(cc(C#N)cc2)O)=S	773
+C(c1cc(C#N)ccc1O)CC	732
+Nc1c(cc(C#N)cc1)OC	0
+c1(cc(C(=O)N2Cc3cccn3Cc4c2cccc4)c(cc1-c5ccccc5F)OC)Cl	610
+c1(cc(ccc1)C(=O)N)Br	10503
+c1ccccc1COc2c(ccc(C(O)=O)c2)I	22
+c1(cc(-c2cc(F)ccc2)cc(F)c1C)C(=O)O	1
+c1cc(ccc1C(O)=O)-c2ccc(N3CCCC3=O)cc2C(OC)=O	11
+c1(cc(CO)c(cc1Br)Cl)F	98
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+c1(cc(C(=O)OC)c(cc1Br)O)F	5
+c1(F)c(cc(c(C=O)c1)[N+]([O-])=O)Br	1766
+c1c(CN=[N+]=[N-])cc(CF)cc1CO	98
+c1(cc(CO)cc2c1OCO2)OC	98
+c1cc(ccc1-c2cccc(C(CCCCCC)O)c2)C=O	11
+c1(cc(ccc1Br)C=2CCCN=2)F	1529
+c1cc(ccc1)CN2CCC(OC(=O)c3cc(c(cc3)[N+]([O-])=O)OC)C2	279
+c1(cc(C(CCN)O)ccc1)Br	51
+c1(cc(ccc1)C(=O)c2c(Cl)nc(Cl)nc2)Br	10504
+c1(cc(C)c(OC)c(c1)CNc2c(c(ccc2F)O)C)-c3cc(F)ccc3	162
+c1(cc(C)c(OC)c(c1)CNc2c(c(ccc2F)O)F)-c3cc(F)ccc3	162
+C(Cc1cc(C)cc(c1)CBr)O	21
+c1(CO)ccc(C)cc1OC(CC=C)C	98
+c1cnccc1-c2cc(CC#N)cc(CO)c2	2036
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+c1cc(ccc1)OC(c2nccc3C(=O)N(Cc4cnc(c(c4)C)-n5nccc5)Cc23)=O	4710
+c1(-c2ncccc2)[nH]cc(C=O)c1	200
+c1cc(ccc1)[Si](c2ccccc2)(OCc3cccc(C=O)c3)C(C)(C)C	328
+c1(cc(CO)c(cc1Br)O)F	88
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+Clc1cc(C(=O)C)c(cc1Br)O	5
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+c1(C(=O)O)cc(F)c(C)nc1	1
+c1(cc(c(cc1)C(c2ccc(cc2F)C)=C(c3nnnn3C)C=CC=O)F)C	5019
+c1(c2ccc(OC)cc2n(Cc3ncccc3)c1C(OC)=O)C(=O)NCc4cc(F)c(cc4)F	56
+c1cc(ccc1CN2C(=O)N(c3nn(Cc4ccc(cc4)OC)c(C(=O)NCc5ccc(F)c(F)c5)c3)C=N2)F	81
+c1ccccc1CN(Cc2ccccc2)C(C(NCc3cc(c(cc3)F)F)=O)COC(F)F	9
+c1(Cl)cc(C(=O)OC)c(nc1Cl)-c2cc(F)ccc2	174
+c1ccccc1Oc2cc(Br)ccc2	46
+c1c2c(ccc1)C(=O)N(C2=O)C(C=3N=C4N(C(=O)C=3c5cc(F)ccc5)C(C)=CC=C4)C	10505
+O=CC=1N=C2N(C(=CC=C2)C)C(=O)C=1c3cc(F)ccc3	10506
+c1c2c(ccc(c2Oc3c(cc(F)cc3)F)OC)nc(O)c1	2900
+c1cc(ccc1F)CC#Cc2cccc(-c3nnn(n3)CCCN4CC(C(O)=O)CCC4)c2	121
+c1(cc(I)ccc1)-c2nnn(n2)CCCN3CCCC(C(=O)O)C3	3
+c1cc(ccc1C(=N)Nc2cc(C)c(C)cc2)S(=O)(=O)C	3121
+c1cn[nH]c1C(Nc2cccc(c2)F)=O	10507
+c1(N2CCOCC2C)nc(Cl)nc(CO)c1	629
+c1(c(ccc(N)c1)OC)C(=O)C	106
+c1(cc(N)ccc1[N+]([O-])=O)OC	106
+c1c(cc2c(C(=O)C(=O)N2)c1)Br	1418
+c1cc(ccc1C)S(=O)(=O)Oc2c3c(CCN(C(=O)Nc4cc(CC)ccc4)C3)nc(-c5ccc6c(OCO6)c5)n2	4603
+c1(cc(Nc2c3cc(N)ccc3ncc2C#N)ccc1)Br	0
+c1(cc(c(N)c(c1)F)OC)C(=O)O	0
+c1c(cc(C(=O)OC)c(Nc2c(cc(c(F)c2)-c3cc(C)c(Cl)cc3)OC)c1)Br	1215
+c1(cc(OC)n(-c2c(cccc2)F)n1)C(=O)NC(CC(O)=O)c3ccccc3C	3
+c1(C(=O)O)cc(OCCCBr)no1	1
+c1(cc(Oc2c(F)cc(C(=O)O)cc2)cc(OC(C)CO)c1)C(=O)Nc3ccn(C)n3	6
+c1ccccc1CCNC(CSc2nc(nc(C)c2)N)=O	271
+c1ccccc1COc2c([N+]([O-])=O)cc(cc2)C=O	139
+c1(c([N+](=O)[O-])cc(cc1)C(O)c2cc(OCC)c(cc2)OC)OC	257
+c1c([N+]([O-])=O)c(ccc1C=CC(OC)=O)OC	530
+Nc1c(c(C(=O)OC)cc([N+]([O-])=O)c1)F	0
+c1ccccc1COc2c(I)ccc([N+](=O)[O-])c2	22
+c1ccccc1C=CC(=O)c2c(O)cc(c(Br)c2)F	307
+c1(cc(c(CNC(c2cn(nc2OCC)CCOc3c(cccc3OCC)CC(=O)O)=O)cc1)Cl)Cl	4
+Fc1cc(cc(F)c1)C(O)c2ccc(F)c(C#N)c2	257
+c1(C)cc2c(NC(O2)=O)cc1OC	3096
+Nc1cc(O)c(cc1[N+]([O-])=O)C(=O)O	106
+c1cc(ccc1OC)CN2N=C(C=C(Br)C2=O)C(=O)OC	10508
+c1(F)cc(c(cc1C)C(NCc2c(cc(cc2)Br)F)=O)OC	14
+c1(cc(c(N)cc1OC)O)C	0
+c1(cc(C)c(c(c1)CNc2c(c(ccc2F)O)F)C)-c3cc(F)ccc3	162
+c1cc(ccc1F)COC(N(Cc2c(-c3cc(ccc3OC)CC(OC)=O)cc(cc2)OC)CC)=O	66
+c1(cc(c(cc1)Cl)-c2n(-c3nc(-n4cc(C)nc4-c5c(Cl)ccc(Cl)c5)c(N)cc3)cc(C)n2)Cl	13
+c1c(Cl)c(Cc2cc3c(OCCO3)cc2)cc(c1)I	394
+c1(C=O)cc(Oc2cccc(C#N)c2)c(cc1)OC	754
+c1ccccc1COc2c(OC)ccc(C=O)c2	139
+O=S(=O)(Oc1c(OC)ccc(C=O)c1)c2ccc(cc2)C	1163
+c1cc(ccc1)C(=O)Oc2cc(ccc2OC)C=O	1039
+c1ccccc1COc2c(OC)ccc(C=O)c2	22
+c1(C=O)cc(c(cc1)OC)OCc2nc(-c3occc3)oc2C	547
+COc1cc(cc(OC)c1)C(C=Cc2ccc(c(c2)O)OCCCC)=O	307
+O(c1c(cc(Cl)cc1)C(CC)=O)c2c3cc(c(OC)cc3ncc2)OC	155
+c1(cc(c(cc1Br)CC(=O)O)C)F	4
+c1c(c(cc(F)c1Br)O)N	0
+c1(c(cc(c(c1)F)Br)F)C2CCC(C2)O	100
+c1c(c(cc(F)c1N)C)Br	0
+c1(cc(Br)co1)C(=O)OC	10509
+Nc1c2c(CO)cc(C)nc2sc1C(=O)N	217
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3ccc(cc3)-c4cc(cc(Br)c4)C#N	11
+c1(cc(cc(Br)c1)C#N)Br	480
+c1c(Br)c(c(cc1CC(C(=O)O)O)Br)Oc2cc(c(c(c2)C=Cc3ccccc3)O)C(C)C	4
+Nc1cc(cc(C(=O)OC)c1C)Br	0
+c1(C)cccc(C)c1-c2cnc(c(-c3cc(C)cc(c3)C)n2)-c4cc(C)cc(C)c4	696
+c1c(C)cc(cc1CN2c3cc(ccc3OCC2)C=O)C	507
+c1(cc(cc(C)c1-c2cc(COc3ccc(cc3)CCC(=O)OC)ccc2)OC4CCCCO4)C	20
+c1c(C)c(c(cc1O)C)-c2cc(COc3ccc(cc3)CCC(=O)OC)ccc2	805
+c1(cc(cc(C)c1-c2cc(COc3ccc(cc3)CCC(=O)O)ccc2)OCCOCC)C	4
+c1c(C)c(c(cc1OCCOCC)C)-c2cc(CO)ccc2	41
+c1(C)cc(cc(C)c1-c2cccc(CO)c2C)OCOC	98
+c1c(C)c(c(cc1C)C)-c2cccc3c(Cl)cc(nc23)C	1009
+c1(cc(cc(C)c1Br)OC(c2ccc(cc2)C(=O)OC)C(C)C)C	20
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(C(C)C)c3ccc(cc3)C(OC)=O	11
+Cc1cc(cc(C)c1C(C)=O)Oc2ccc3OCOc3c2	415
+c1cc(ccc1)Oc2cc(C)c(c(c2)C)C(C)=O	415
+c1cc(ccc1Oc2cc(C)c(c(C)c2)C(C)=O)F	415
+c1(cc(cc(C)c1N=C2N(C(N(C(c3cc(O)c(cc3)O)=C2)C)=O)C)C)C	5
+c1(cc(cc(C)c1N=C2N(C)C(N(C)C(=C2)c3ccc(c(c3)OC)OCC(=O)O)=O)C)C	3
+c1ccccc1-c2nc(c(cn2)CNc3cc(C)c(c(c3)C)NC(OCCC)=O)C	10510
+c1c(C)c(c(cc1[N+](=O)[O-])C)N	106
+Cc1cc(cc(C)c1Nc2nc3c(c(N)cc(C)c3)s2)C	10511
+c1cc(ccc1)Cn2ccc3nc(Cl)nc(Oc4c(C)cc(cc4C)C(C)=O)c23	1438
+c1c(C)c(c(cc1-c2[nH]c3c(c2C)cccc3)C)OC	1150
+Cc1cc(cc(C)c1OCCCC)C=COC	1417
+c1(cc(cc(C)c1OCOCCOC)C=CC=CC(=O)O)C	108
+Cc1cc(cc(C)c1S(=O)(=O)N)N	106
+c1cc(ccc1Nc2nc(C)c([N+]([O-])=O)c(Sc3c(cc(cc3C)Br)C)n2)C#N	55
+c1(cc(cc(C)c1N)COCC)C	0
+Clc1cc(cc(Cl)c1)C(C)(C)C(N(C)c2cnc(Cl)cc2-c3ccccc3Cl)=O	2052
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3cc4c(cc3Cl)C(C(=O)O)CCO4)Cl	3
+c1(Cl)cc(cc(Cl)c1)COc2cc(C(=O)NCc3c(cc(cc3)C#N)O)cc(c2)Cl	14
+c1c(Cl)cc(cc1N=Cc2cc(ccc2O)Br)Cl	457
+c1c(Cl)cc(cc1Nc2nc(nc(NC)n2)Nc3ccc(cc3)O)Cl	360
+c1cc(ccc1N2C(c3c(c(ccc3)C)C2=O)=O)CC(C(OCC)=O)NC(=O)c4c(cc(cc4Cl)-c5[nH]nnn5)Cl	259
+Clc1cc(cc(Cl)c1CCC(NOC)C)Cl	3813
+Clc1cc(cc(Cl)c1CCCNOC)Cl	2498
+Clc1cc(cc(Cl)c1-n2cc3cncc(c3n2)Cl)C#N	3027
+c1c(Cl)c(c(cc1[N+]([O-])=O)Cl)-n2cc3cncc(c3n2)F	3027
+c1(Cl)cc(cc(Cl)c1NCC(OCC)=O)CCNC(C(c2ccc(cc2)O)O)C	132
+c1(cc(cc(Cl)c1OCCCC(c2ccc(cc2)F)=C)OCC=C(Cl)Cl)Cl	1707
+c1c(Cl)c(c(cc1N)Cl)Oc2cc(c(cc2)O)C(NCCCCCCCCC)=O	0
+C1CN(CCC1C(c2cc(F)cc(c2)F)CCOC(C)C)S(=O)(=O)C	21
+c1(F)cc(cc(F)c1)C(CC(OC(C)C)=O)C2CCNCC2	62
+c1c(F)cc(cc1C)F	10512
+c1(F)cc(cc(F)c1)COc2cncc(C#N)c2	483
+c1c(c2C(CCCc2cc1F)=O)F	214
+c1(cc(cc(F)c1)CCCC(=O)O)F	10513
+c1(F)cc(cc(F)c1)Nc2ncccc2C(O)=O	1
+Fc1cc(cc(F)c1Br)OCCC2C(C3CCN(CC3)c4ncc(cn4)OCC)C2	20
+c1c(F)c(c(cc1F)F)CCc2cc(c(Cl)cc2)NNC(OC)=O	1702
+c1(cc(cc(F)c1C(C(=O)O)OC)OCC)F	3
+c1c(F)c(c(cc1OC)F)C#N	274
+c1c(F)c(c(cc1C=CC(=O)O)F)C2N(C(C)(C)Cc3c4ccccc4[nH]c23)CC(CF)C	127
+c1(F)cc(cc(F)c1C=CC(OCC)=O)N	530
+Fc1cc(cc(F)c1C2C(Nc3c(C2=O)ccnn3)=O)F	10514
+c1nc(ncc1COC)N2CCC(CC2)C3C(CCOc4cc(F)c(c(c4)F)CC(=O)OC)C3	20
+c1(cc(cc(F)c1F)C2c3nc(Nc4cc(OC)c(cc4)-n5cnc(Cl)n5)nc(NC)c3CC2)F	55
+c1(cc(cc(F)c1F)CCC2CCC(CC2)C=O)F	1143
+c1(cc(cc(F)c1F)CCC2CCC(CC2)=COC)F	2553
+c1(cc(cc(F)c1O)COCC(=O)OCC)F	16
+c1cc(ccc1-c2oc3cc(N(c4cc(F)c(c(F)c4)N)S(=O)(=O)C)c(C5CC5)cc3c2C(NC)=O)F	0
+c1(cc(cc(I)c1O)C(c2c3c(oc2CCC(=O)O)cccc3)=O)I	3
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(Br)c2)O	8
+COc1cc(cc(OC)c1Br)CO	49
+c1c(OC)c(c(cc1-c2nccc(CO)c2)OC)Cl	49
+c1(cc(cc(OC)c1Cl)-c2nccc(C(O)=O)c2)OC	6
+c1c(OC)c(c(cc1-c2nc(CO)cs2)OC)OC	1171
+c1cc(ccc1C(=Cc2cc(OC)c(c(OC)c2)OC)C(NCc3ccc(cc3)C(=O)OCC)=O)F	711
+c1c(OC)c(c(cc1CCCO)OC)OC	95
+O(c1cc(cc(OC)c1N)Br)C	0
+c1(cc(cc(OCC)c1-c2ccc(cc2)F)CO)OCC	217
+C1CN(CCC1NC(=O)c2cc(OC(C)(C)C(=O)O)ccc2)Cc3cc(OCC)c(c(OCC)c3)F	3
+O=S(=O)(c1cc([N+]([O-])=O)cc(N)c1)NC	0
+c1(F)cc(cc(F)c1)Oc2ccc(cc2)OC	46
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)Oc3cc(Br)cc(c3)Nc4cnccc4	1505
+c1c(c(O)c(cc1F)[N+]([O-])=O)-c2cc(C(=O)O)ccc2	5
+c1cc(ccc1)C(c2ccccc2)CCN3CC(CC3)NC(Nc4cc(nc(c4)C)CC)=O	282
+c1(nc(O)cc(OCc2ccc(cc2F)F)c1)C	139
+c1cc(ccc1)Oc2cc3nc(-c4ncccc4)nn3c(N)c2	10515
+c1(C=O)cc2c(C(=O)OC)nn(-c3cccc(c3)Br)c2cc1	39
+c1cc(cc(c1)C(c2cccc(c2)Br)=O)Br	335
+c1(cc(ccc1)C#N)-c2ccc(C(=O)O)cn2	1
+COc1ccc2C(N(c3cccc(C#N)c3)C=Cc2c1)=O	2333
+c1cc(ccc1)COc2cccc(c2)C3CC(=O)N(c4cccc(C#N)c4)C3	654
+c1cc(ccc1)-c2cc(C(=O)OC)ccc2	11
+c1cc(ccc1C=O)-c2cccc(C(OCC)=O)c2	11
+c1(ccc(NC(c2cc(ccc2)Br)=O)cc1-c3ccnn3C)OCCOC	50
+c1c(cccc1Br)C(=O)N2Cc3cccn3Cc4c2cccc4	448
+C(C(c1cc(ccc1)Br)=O)C(CC=C)O	155
+C(c1cc(C=O)ccc1)C(=O)O	4
+c1cc(ccc1CNCc2cccc(CC(=O)OCC)c2)C	42
+c1ccc(CO)cc1CCCCOC	41
+c1(cc(ccc1)F)-c2cc(F)c(c(CNc3c(F)ccc(O)c3F)c2)C	162
+c1c(cc2[nH]c(c(Sc3cc(ccc3)C(=O)OC)c2c1)C)Br	1502
+c1(cc(ccc1)Nc2c3cc(c(N)cc3ncn2)[N+]([O-])=O)Br	106
+c1(cc(ccc1)Nc2c3cc(N)ccc3ncn2)Br	0
+Nc1c(N)cc2c(ncnc2c1)Nc3cccc(Br)c3	0
+c1cc(ccc1COc2cc(C=O)ccc2)Cl	139
+c1cc(ccc1OCC)COc2cc(C=O)ccc2	20
+COc1cccc(-c2nc(ccc2CC(OC)=O)Cl)c1	174
+c1(cc(ccc1)OC)-c2nc3n(ccc(c3)NC(c4n(C)ncc4C(=O)O)=O)n2	6
+c1(cc(ccc1Br)C2CO2)F	5020
+c1ccccc1COC(=O)N2CCCC2c3ccc(c(c3)F)Br	66
+c1(cc(ccc1Br)C2NCCC2)F	1218
+c1(cc(ccc1C=CC(=O)O)F)OC(CC)C	127
+c1cc(ccc1)CN2C(C(Cc3ccc(F)c(c3)C)OCC2)=O	10516
+c1(N)c(Nc2c(c(C(=O)OC)ccc2)C)ccc(F)c1	0
+c1(I)cc(c(cc1)NCc2cc(c(OCc3ccc(nc3)OC)cc2)OC)N	0
+c1(cc(C#N)ccc1[N+]([O-])=O)OC	274
+c1cc(ccc1)CN(C)Cc2ccc([N+](=O)[O-])c(c2)OC	131
+C(c1cc(OC)c(cc1)[N+]([O-])=O)C(=O)O	3
+c1cc(ccc1C)S(=O)(=O)Nc2c(C(OC)=O)cc(Oc3ccc(c(c3)NCCCC)[N+]([O-])=O)cc2	46
+c1(cc(c(N)cc1)OC)NCCCCCC	0
+Nc1c(cc(cc1)OCCO)OC	0
+O(C(C)=O)CCOc1cc(c(N)cc1)OC	0
+c1ccccc1-c2cncc(c2)C(=O)O	89
+c1ccc(cc1C#Cc2cncc(C(=O)O)c2)NC(=O)c3c(cco3)C	1240
+O=S(c1cc(ccc1)C(=O)OC)(C)=NC(c2cc(cnc2)Br)=O	10517
+c1ccccc1S(=NC(=O)c2cncc(Br)c2)(C)=O	3144
+c1(cc(N)n[nH]1)C(Nc2cccc(c2)F)=O	161
+c1cc(ccc1C)S(=O)(=O)n2cc(CN3CCCC4(CCN(CC4)c5nc(OC)cc(n5)C)C3=O)c6ccccc26	117
+c1(cc(nc(SCc2ccc(N)cc2Cl)n1)O)C	0
+c1(cc(nc(SCc2cccc(N)c2Cl)n1)O)C	0
+c1(Cl)cncc(Cl)c1CSc2nc(N)cc(C)n2	2667
+c1cc(ccc1-c2c(C#N)cccc2)CN3C(=NC(=CC3=O)C)SCC	10518
+n1c(c(cc(NN)n1)OCC)OCC	10519
+c1(F)c(cc2c(c(ccc2)O)c1)Br	10520
+c1(C(=O)O)cc2CCSc2s1	1
+c1(cc2NC(=O)COc2cc1)N3CC(CC3=O)CO	1262
+c1(cc2c(cc1Br)CCC(=S)N2)F	199
+c1(cc2OCCc2cc1)C(CC(=O)O)NC(CCC3CCc4c(C3)nc5c(CCCN5)c4)=O	3
+c1cc(ccc1)OC(n2c-3c(c(n2)Nc4cccc(F)c4)Cc5c-3cc(OC)c(OC)c5)=O	3266
+C1CC2N(c3c(cc(CO)cn3)NC2=O)CC1	88
+c1cc(ccc1CN2C(CCCC)=Nc3ccc(-c4nn(CCCC=C)nn4)cc3C2=O)-c5c(C#N)cccc5	10521
+c1(cccc(c1)Nc2nc(c(cn2)F)Nc3cc4c(OCCO4)cc3)N	55
+c1ccccc1COC(N2CC(C(NCc3cc4OCCOc4cn3)CC2)O)=O	294
+c1cc(ccc1)COCc2nc3ccc(cc3c(NCc4ccc5OCOc5c4)n2)OC	40
+c1ccccc1C(O)c2cc3ccnc(Cl)c3[nH]2	5021
+c1cc(ccc1OC)CN2C=Cc3cc(c(Br)cc3C2=O)F	5022
+c1cc(cc2c1N(C(=O)N(C2=O)CC)CC)C(O)=O	1
+C1CN2CCC1C(C2)OC(Nc3cc(ccc3-c4ccccc4)C=CCN5C(=O)Oc6c5ccc(C=O)c6)=O	858
+C(CCSc1[nH]c2cc(C(OCC)=O)ccc2n1)CSc3c(c(O)c(cc3)C(=O)C)CCC	2465
+Nc1c2cc(ccc2ccc1)C(=O)N	0
+c1(cc2n[nH]cc2cc1Br)F	2363
+c1(sc(C(=O)O)c(n1)-c2ccc(Cl)c(Cl)c2)-n3cnc4cc(c(cc34)OC)OC	1
+C(=O)c1cc2c(ccc(-c3ccccc3C)c2)nc1Cl	200
+c1(cc2c(ccc(N)c2)nc1O)C(=O)O	0
+c1(cc2c3c(ccc2cc1)ccc(c3)O)Br	5
+o1c2cccc(c2cc1CO)Br	4333
+Nc1c2c(ccc1)cnc(c2)COC	0
+C1CC1COCCc2ccc(cc2)OCC(CNCCn3c4ccc(-c5ccc(nn5)O)cc4nc3)O	122
+c1(cc2c(n(CCN)cn2)cc1)-c3nnc(O)cc3	524
+c1(cc(OC)c(cc1)C#N)NCc2cc3cc(Cl)c(cc3nc2O)OCc4cnccc4	10522
+c1cc(ccc1OC)Nc2nc(Cl)nc3c2cc(-c4ccco4)cc3	73
+O=C(NC1c2c(cccn2)C(N=[N+]=[N-])C(c3c(c(ccc3)F)F)CC1)c4cnc5c(c4)CC6(c7cccnc7NC6=O)C5	56
+Nc1cc(cc2c1nccc2)OC	13
+c1ccccc1OC(Nc2c(Cl)cc(cc2)Oc3ccnc4cc(OCCOC)c(C(=O)OC)cc34)=O	90
+c1c2c(nccc2Oc3ccc(c(Cl)c3)NC(=O)NC)cc(OC)c1C(=O)O	1
+C(=O)(C)c1oc2cc(ccc2c1)C(=O)OC	3153
+c1(C(=O)O)cc2c(s1)nc(Cl)cn2	1
+c1(cc2c(scc2)cc1Br)F	1539
+c1(cc2c(sc(C(=O)O)c2)cc1Br)F	1
+c1(cc2c3c(cc(cc3C(=O)N(CCCC(O)=O)C2=O)C(O)=O)c1)N	0
+c1(cc2ccc(cc2cc1)OC)C(C)CN	15
+c1cc2cc(ccc2cc1O)C3(NC(=O)OC3)C	5
+c1(cc2c(c(c1)CO)cccc2)Br	88
+C12C=C(CC(CC1)N2CCNc3cc(OC)cc4cccnc34)c5cc6c(cccc6)cc5	10523
+c1(cc2c(c(nn2c(OCc3c(F)c(ccc3F)F)c1)C)C(O)=O)C	6
+c1(cc2nc(C(NC(C)Cn3ccc(-c4cc(Cl)c(c(c4)F)C#N)n3)=O)cn2c(C)n1)C	312
+c1(cc2nc(C(=O)O)cn2c(C)n1)C	6
+COc1cc2c(cc1CC=O)nccc2	1292
+n1ccc(c(OC)c1CO)OC	813
+COc1cc(c(F)cc1)-c2ccc(CO)nc2Cl	398
+c1ccccc1OCCOc2ccc(Br)nc2C(OC)=O	1286
+c1cc(ccc1Cc2nc3nc(ccc3o2)Br)F	10524
+C(C(CCc1ccc(F)c(F)c1F)O)CCC	213
+Nc1cc(ccc1CC)C(=O)C	0
+O=C(c1ccc(c(Cl)c1)Cl)NC2c3c(CCC2O)ccc([N+]([O-])=O)c3	93
+c1(C(=O)OC)ccc(c(N)c1)NC2C(CCCC2)C	0
+c1(ccc(cc1O)C(C)C(=O)O)[N+]([O-])=O	3
+OCCC(c1ccc(c(Cl)c1)Cl)N	21
+c1ccccc1COc2c(ccc(C(=O)NCC)c2)[N+]([O-])=O	22
+C1CCCc2c(C(c3cccs3)=O)ccc(OCC(O)=O)c12	4
+c1(C)ccc(CO)nc1Cl	398
+Fc1c(C)ccc(c1)CN2CCC(C2=O)N3CC(C(c4cc(c(OC)cc4)F)CC3)F	2150
+c1ccccc1COc2ccc(cc2)C3CCN(CC3(F)F)C4C(N(Cc5cc(c(C)cc5)F)CC4)=O	2150
+Nc1c(N)c(c(C)cc1)C	0
+c1(ccc(C)cn1)-c2cc(cc(c2)-c3occn3)C(=O)O	1
+c1cc(ccc1)COc2c(cc(N)nc2CCCCCCCCCCOCOC)C	899
+c1(ccc(C)n1-c2ccc(C(CNCC3Oc4c(CC3)cc(I)cc4)O)cn2)C	15
+C1CC1c2c(-c3nc(N)ccc3)ccc(c2)O	899
+COc1c(cc(CC)c(c1)O)-c2cccc(n2)N	899
+Cc1ccc(C)n1-c2nc(CCC(n3c(ccc3C)C)C)cc(C)c2	3008
+c1ccccc1Oc2ccc3c(nc(o3)-c4ccc(C=O)cc4F)c2	1328
+c1(OCOC)c(cc(cc1)C=C)OCOC	4749
+C1CC(CCC1)N(C(Nc2c(cc(CC(OCC)=O)cc2)Cl)=O)c3n(-c4ccc(cc4)Cl)nc5ccccc35	1587
+c1cc(O)cc(-c2ncnc3c(Cl)cccc23)c1Cl	5
+Nc1ccc(Cl)c(C(=O)O)c1Cl	0
+c1(ccc(c(N)c1F)Cl)C(=O)O	106
+Nc1c(nc(cc1)Cl)C(=O)N	13
+Fc1cc(cc(F)c1-c2nc(C(OC)=O)ccc2F)OC	119
+c1cc(ccc1F)CNc2c(F)c(N)c(cc2)[N+](=O)[O-]	60
+c1cc(ccc1F)C(C(=O)Nc2cc(F)ccc2C(N)=O)Br	33
+c1ccccc1COc2cc(I)ccc2[N+](=O)[O-]	22
+CCOC(=O)C(c1ccc2NC(=O)Nc2c1)C	2280
+c1cc(ccc1)COc2cc(ccc2)Nc3ncc(cn3)Nc4ccc(c(c4)Cl)Cl	10525
+c1cc(ccc1NC(=O)C2C(CC(C2)=C)NC(c3c(F)cc(cc3)N4C(C=CC=C4)=O)=O)Cl	14
+c1(ccc(N2CC(CO)CCC2)cc1C(Nc3c(C)c(C(=O)O)ccc3C)=O)C	1
+c1(ccc(N)cc1-c2ccnn2C)OCCOC	106
+CC(=O)Nc1cc(c(cc1)C(=O)C)O	5
+c1(ccc(Nc2c(N)cccc2)cc1F)C(OCC)=O	0
+c1ccccc1NC(c2c(ccc(Br)c2C)O)=O	67
+c1cc(cc(F)c1CSc2ccc(OC)c(Cl)c2Cl)F	1128
+N(Cc1ncccc1)Cc2cccc3c2nc(o3)-c4cc(OC)ccc4O	241
+c1(ccc(OC)cc1OC)-c2cc(C(=O)O)ccc2	1
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccc(-c4cc(C(=O)O)c(C)o4)cn3)=O)c2	1
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccccc3-c4sc(CC(O)=O)cc4)=O)c2	4
+c1(c(C(=O)O)nc(OC)cc1)O	1
+C1CC(CC(C1)N)c2ccc(OCOC)cc2OCOC	733
+c1(ccc(N)cc1-c2nc(O)c3c(n2)c(CCC)ccn3)OCC	0
+c1ccccc1-c2c(cc([N+]([O-])=O)cc2)OC	11
+c1ccccc1C(=O)Oc2c(c(C)c(cc2)C)-c3c(C)c(C)ccc3O	1039
+O=C1N(C(=Nc2ccc([N+]([O-])=O)cc12)CF)c3ccc(cc3C)C	2796
+c1(OC)c(c(c(Cc2c(Cl)ccc(c2)Br)cc1)F)F	394
+c1cc(ccc1)COc2c(c(c([N+](=O)[O-])cc2)F)F	57
+c1cc(ccc1)C(=O)NCC(CCOC2CCCCO2)c3ccc(c(Cl)c3)Cl	10526
+c1ccccc1COC(=O)c2cc(Br)c(C#N)cc2	470
+c1(ccc(cc1Br)C(=O)O)C#N	1
+c1c2c([nH]cc2CC(C(N)=O)Nc3ccc(c(c3)Br)C#N)ccc1	2002
+c1(C(Nc2cc(ccn2)-c3c(nc4cccnn34)-c5cc(c(cc5)F)C)=O)ccnc(C)c1	1372
+C(O)c1ccc(cc1F)CBr	49
+C(Cc1ccc(-c2ccc(cc2F)F)c(c1)F)(=O)O	3
+c1cc(ccc1F)Sc2c(ccc(F)c2)C(=O)O	826
+CC(C(=O)O)c1cc(c(N)cc1)O	0
+c1ccccc1COc2cc(ccc2[N+]([O-])=O)C=O	22
+c1ccccc1COC(=O)c2ccc(c(OC)c2)Br	470
+c1c(ccc2ccccc12)C(O)c3c(ccc(Br)c3OC)F	1641
+c1(ccc(cc1OCCc2cc(C)ccc2)C(=O)O)Br	1
+Nc1cc(-c2ccc(cc2C)C(=O)OC)ccc1CC	0
+c1(ccc(C)cc1N)Sc2cc(ccc2)NC(C)=O	0
+c1(ccc(C)cc1N)Sc2cc(ccc2)O	0
+C(OC)C1CCC(C(OC)=O)CN1	10527
+c1(ccc(nc1C(=O)O)C)-n2nccc2	1
+n1c(c(ccc1NC(c2c(cccc2)F)=O)Br)N	330
+c1ccccc1-c2c(nc(cc2)OC)N	89
+c1ccccc1CN2N=C(c3ccccc3C2=O)Cc4c(C)[nH]c5c4cc(Cl)cc5	10528
+c1cc(ccc1NC=C2C(Nc3cc(-c4cccc(OC)c4)ccc23)=O)OCCCN(CC)CC	1300
+c1c(C(=O)O)nc2NC(=O)CSc2c1	1
+Clc1ccc2c(nc([nH]2)-c3c-4c(ccc3)C(c5c-4cccc5)N)c1	4334
+c1cc(N)c(cc1)CSc2[nH]c3cc(ccc3n2)C	3089
+c1c(OC)c2c(c(c1)Br)ccc(n2)C(=O)O	1
+c1(ccc2c(n(CCN)cc2)c1)N3C(c4cc(OC)ccc4C3)=O	51
+c1c(nc2c(c1)scc2Br)C(=O)O	1
+c1(ncccc1OCCN(CC)CCNC(=O)c2ccc3c(n2)c(I)cnc3)F	780
+c12c(cccc1)C(=O)N(C2=O)CCN(C)Cc3nc4c(cc3)cccc4	315
+c1c(nc2oc(C3C(C)C3)cc2c1)C(=O)O	1
+OCc1ccc2cc(cc(Br)c2n1)F	194
+c1ccccc1CC(=O)c2c(-c3ccc4c(c3)ccc(c4Br)OCC#N)sc5ccccc25	1487
+Nc1ccc2n3c(cc2c1C(=O)OC)CCC3	0
+c1cc(ccc1OCc2ccc3nc(Br)nn3c2)C(CC(=O)OCC)C#CC	751
+c1cc(ccc1OCc2c3cccnc3ccc2[N+]([O-])=O)NC(=O)C	22
+c1ccccc1COC(=O)c2[nH]ccc2	470
+C(CC)N(CCC)CCCCN(Cc1ccc[nH]1)Cc2ccc(cc2)C#N	315
+c1ccccc1-c2nc(Cn3cc(C(=O)OCC)cn3)sc2	562
+c1ccccc1-c2cccc(c2F)C#N	11
+c1cc(ccc1Nc2nc(-c3cccc(n3)Br)nc4ccccc24)Cl	10529
+c1c(Br)nc(C(Nc2cn(C)nc2C(=O)N)=O)cc1	2491
+c1(cccc(C(=O)O)c1)N2C(=O)c3c(nc(SC)nc3)N4C(CCC4)C2	6
+c1(cccc(C=2OC(NN=2)=O)c1)N3C(=O)c4c(nc(SC)nc4)N5C(CCC5)C3	10530
+c1c(cccc1C2=Nc3cccc(Cl)c3C(=O)O2)F	4269
+c1(C)cccc(C)c1-c2cccc(CO)c2	41
+c1c(C)c(c(cc1)C)-c2nc3ccc(cc3[nH]2)C=O	39
+c1(C)cccc(C)c1-c2ccc3c(c2)c(ncn3)O	11
+Cc1cccc(C)c1-c2ccc3n4c(nc5ccccc45)c6c(nc(C)cc6)c3c2	667
+c1c(C)c(c(cc1)C)-c2ncnc(-c3ccccc3)c2	198
+Cc1cccc(C)c1-c2nc3c(CN(Cc4ccccc4)CC3)c(OC)n2	345
+c1c(C)c(c(cc1)C)-c2cnc(cn2)N	356
+c1(C)cccc(C)c1CNc2c3[nH]c(cc3nc(Cl)c2)C	10531
+c1(cccc(C)c1CNc2c(c(nc(Cl)c2)C#CC)N)C	13
+c1(CN2c3c(cccc3)CCCC2=O)cc(ccc1)Br	1126
+C1OCC1(c2ccc(cc2)OCc3cccc(Br)c3)CC(=O)OCC	22
+c1cc(ccc1OCc2cccc(n2)C(OC)=O)I	951
+c1ccccc1COc2cc(ccc2)-c3cccc(CCC(O)=O)c3	11
+c1cc2c(cccc2)nc1COc3ccc(NCc4cc(ccc4)Br)c([N+]([O-])=O)c3	60
+c1cc(ccc1C)C(CN(C)Cc2cccc(c2)Br)=O	676
+c1c(Cl)c(c(cc1)Cl)-c2ccc3cc(CC(NC(c4c(Cl)cccc4Cl)=O)C(=O)OC)ccc3n2	946
+Clc1cccc(Cl)c1-n2c(c(C(C)C)cn2)CO	629
+c1c(Cl)c(c(cc1)Cl)C(CO)Cc2c(cc(Cl)cc2)Cl	95
+c1c(Cl)c(c(cc1)Cl)C(=O)c2cc3c(C(C#N)=C3)cc2O	5
+c1(cccc(Cl)c1CCOCCN2CCC(CC2)=O)Cl	86
+c1cc(ccc1OCc2c(onc2Cc3c(Cl)cccc3Cl)C(C)C)-c4ccc5c(c4)cccc5C(OCC)=O	20
+c1cc(cc2ccnn12)OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3	28
+c1(cccc(-c2nc3c([nH]2)cccc3)c1[N+](=O)[O-])Cl	1127
+c1c(NC(=O)c2cccc(n2)Cl)c3c(cc1-c4c5c([nH]cc5)ccc4)[nH]nc3	187
+c1ccccc1CNC2=CC(=O)N(Cc3cccc(F)c3)C=C2	10532
+c12CCN(C(=O)c1ccc(OCc3cccc(F)c3)n2)c4ccc(cn4)F	2334
+c1c(F)c(c(cc1)F)C(Nc2ncc(cc2)-c3cc4OCCc4cc3Br)=O	330
+c1c(F)c(c(cc1)F)Cc2c(c(ccc2)OC)N(S(=O)(=O)c3cc(c(cc3)OC)OC)CC(O)=O	3
+c1(cccc(F)c1NC(=O)c2ccc(Cc3cc(Cl)ccc3O)o2)F	173
+c1(cccc(F)c1Oc2ccc(cc2)N)F	0
+c1c(CO)c(F)c(I)cc1	49
+c1(cc(ccc1)Nc2c3cc([N+]([O-])=O)c(NC(C)=O)cc3ncn2)Br	2212
+c1(cc(ccc1)Nc2c3c(cc(nc3)N)ncn2)Br	10533
+c1cc(ccc1)Oc2cccc(Nc3cc(Nc4cc(ccc4)N)ncn3)c2	73
+c1ccccc1CNc2cc(ccc2)N3C(NCC3)=O	208
+N1(C(=Nc2cccc(CO)n2)SC(Br)=C1)COC	398
+c1c(Nc2ncnc(c2)Cl)nc(cc1)NC	349
+c1c(ccc(C(O)c2cccc(OC)c2)c1F)F	257
+c1cc(ccc1)P(c2ccccc2)(c3cccc(c3)OC)=O	10534
+c1cc(ccc1)-c2ccccc2-c3cccc(OC)c3	11
+c1(cccc(OCC(=O)O)c1)Br	4
+c1c(cccc1Br)OCC(O)CN2CCc3ccccc3C2	170
+c1c(c(OCC(O)c2cc(OCc3cc(c(cc3)Cl)Cl)ccc2)cc(c1)C#N)F	74
+Nc1cccc([N+]([O-])=O)c1O	0
+c1cc(ccn1)C=Cc2cc([N+]([O-])=O)ccc2	722
+Nc1c(c(ccc1)C(=O)O)F	0
+c1(c(F)c(N)ccc1)C(c2c[nH]c3c2cncn3)=O	0
+c1(cccc(-c2nc(N)[nH]c2)c1)Br	10535
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(c(n4)-c6cc(ccc6)Br)cnc(Cl)n5	10536
+c1(-c2nc3c(c(n2)O)cc(c(OC)c3)O)cc([N+]([O-])=O)ccc1	5
+c1(cccc(C(=O)O)c1)Nc2nc(ccn2)-c3ccnc(c3)Cl	6
+C(c1nnc2N(CCCCC)c3[nH]cnc3C(=O)n12)c4cc(ccc4)Br	10537
+c1ccccc1-c2cccc(CC(=O)OC)c2	11
+CN1C(=O)C=C(CCc2ccccc2Br)NC1=N	10538
+O=Cc1c(ccc(c1)Br)OCCOc2cc(Br)ccc2	8
+c1cc(ccc1-c2cccc(c2)O)-n3c4c(c5ccccc35)cccc4	11
+c1ccccc1COc2cc(Br)ccc2	22
+c1cnccc1CC(c2cccc(OC)c2)(c3cccc(OC)c3)O	10539
+c1c(OCCCCCCc2cccc(c2CCC(OCC)=O)OCCCC(=O)OCC)cc(cc1Br)C(C)=O	8
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(Br)c2)CO	8
+c1ccccc1COc2c(Cc3c(OC)c(c(c(c3C)OC)OC)OC)cccc2C=O	22
+O(c1c(OCC=C)c(ccc1)C(=O)C)CC=C	155
+CN(C)C(=O)c1ccc(cc1)-c2cnc(c(C(NNC(c3nc(N)ccc3)=O)=O)n2)N	10540
+c12c(CC(OCC)=O)coc1c(ccc2)OC	10541
+c1c(CO)c2c(ccc(OC)c2)cc1	49
+c1(OCCCCCCCCCl)cccc2ccccc12	450
+c1(ccccc1-c2[nH]nc(NC(N)=S)c2)Br	10542
+Nc1nc2c(s1)c(-c3ccccc3Br)[nH]n2	10543
+n1c(oc(C)c1COc2cc(c(CC(C(=O)OC)OCC)cc2)CC)-c3c(cccc3)F	547
+c1c(c(ccc1)-c2c3c(ccc(C#N)c3)n[nH]2)OC	804
+c1(ccccc1-c2noc(c2C(O)=O)C)OC	6
+c12c(c(N)c(C(NCCCC)=O)nn1)cccc2Br	10544
+C=1(OC(=O)c2c(cccc2)N=1)CC	2665
+c1cc(ccc1CCCCC)C(NNC(=O)c2c(cccc2)SCC)=O	1601
+c1cc(ccn1)C=Cc2ccc3c(ccc(n3)NCc4c(OC)cccc4)c2	722
+c1(ccccc1COc2cc(c3c(nc(C)[nH]3)c2)C)C(OC)=O	2712
+c1(ccccc1Cl)-c2cc(O)cc3N(c4c(ccc(C(=O)OC)c4)C)C(=O)CCc23	5
+c1(ccccc1Cl)-c2n3c4ccc(cc4nc(C)c3c(C)n2)O	5
+c1(ccccc1Cl)-c2n3c4ccc(cc4nc(C)c3c(C)n2)OCc5cccc(c5)N	0
+c1cc(ccc1)-c2cc(nnc2Cl)Nc3ccnc(NCCc4c(Cl)cccc4)n3	306
+O=S(=O)(c1ccccc1)C(C#N)=Cc2ccnc(-c3ncn(Cc4c(cccc4)Cl)c3)c2	2593
+c1(ccccc1Cl)Oc2cc(C(C)C(O)=O)c(OC)cc2	3
+c1(ccccc1Cl)Oc2cc(c(C(C)N)cc2)Cl	840
+c1(ccccc1Cl)Oc2cc(C(C(=O)OCC)C)c(OC)cc2	3253
+c1(ccccc1Cl)Oc2ccc(c(CO)c2)OC	41
+NCC(=O)c1ccccc1OC	10545
+c1ccccc1C(C(C(OCC)=O)=CNc2ccccc2OC)=O	10546
+c1(ccccc1Oc2cc(CC)ccc2O)C	5
+C(NNC(=O)c1cc(C#N)ccc1)(=O)c2cccnc2	4739
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(NC(c5cccnc5)=O)nc6sc(cc46)CC)=O	4769
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CCNC(=O)c3cccnc3	2896
+c1nc(ncc1)Cn2c(Br)cc(n2)NC(c3cnccc3)=O	2370
+c1(CNc2cc(ccc2)-n3cnc4c3ccc(C(=O)NCc5cnccc5)c4)cccnc1	2116
+n1c(-c2cnccc2)n(c3cc(c(Br)cc13)C#N)C	3766
+C1CC(CCN1Cc2cnccc2)n3nnc4c(N5CCOCC5)nc(nc34)-c6ccc(cc6)NC(=O)NCCN(C)C	565
+c1(cccnc1Br)CO	269
+c1ccccc1CCCC(O)c2cccnc2Br	1430
+c1cnc(C2CCCC(c3c(cccn3)C)N2CCCCn4ccnc4)c(c1)C	28
+c1cnccc1C=Cc2cncc(C=Cc3cc(Nc4ncccc4[N+]([O-])=O)ccc3)c2	1807
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(O)nccc3	328
+c1(cccnc1OCC(C)F)Nc2c3c(c(C(=O)O)sc3ncn2)C	1
+c1cc(c(SCc2c3ccccc3ncc2)nc1)C(=O)O	3465
+c1cnccc1CSc2ncccc2C(=O)O	10547
+c1(cccnc1N)OC(C)c2c(Cl)ccc(F)c2Cl	161
+c1(nc(nc(C)c1C(NC(CNC(c2cccs2)=O)C(OC)=O)=O)NCCCc3cccc4c3cn[nH]4)C	227
+c1(nc(nc(C)c1C(NC(CNC(c2cccs2)=O)C(OC)=O)=O)NCCCc3cc(O)ccc3)C	227
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCC(Nc4cc(c(C=COC)cc4Cl)OC)=O)=O)O	1417
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCC(Nc4c(Cl)cc(c(OC)c4)C=O)=O)=O)O	39
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCC(=O)Nc4c(Cl)cc(CC=O)c(OC)c4)=O)O	1292
+C1CC(CCC1N(CCCN2C(Nc3cc(ccc23)C=O)=O)C)OC(C(c4cccs4)(c5cccs5)O)=O	28
+C(CNCc1ccc(nc1)Oc2ccc(cc2Br)C(=O)N)c3cccs3	249
+c1cc(OCCc2cccs2)cc(C)c1OCC(OCC)=O	126
+c1ccccc1OC(=O)Nc2cc(OCc3sccc3)c(C#N)cn2	278
+c1(ccn2C=C(NC(c12)=O)CO)C	10548
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C(N(OC)C)=O)ccn3	10549
+C(c1ccnc(-n2ccnc2)c1)(=O)O	10550
+c1cc(ccc1F)-c2coc(C3CCCN(C3)C(=O)c4ccnc(F)c4)n2	30
+Sc1nccc(SC)c1C	4455
+c1cc(ccc1)CN2CCC(CC2)(c3c(ccnc3)CO)O	1239
+Clc1c(ccnc1)CNc2ccc(cn2)C(=O)OC	811
+O=S(=O)(c1ccccc1)n2c3ccc(cc3c4c2CCN(C4=O)c5cnccc5C)F	10551
+c1cc(ccc1N2CCN(c3c(ccnc3)C)C2=O)F	2626
+c1(ccncc1N2CCNC2=O)C	3461
+c1cc(ccc1C(Nc2c(CNC(=O)c3oncc3)cc(F)c(Nc4[nH]nc(c4)C5CC5)n2)C)F	10552
+c1cc(ccc1-c2c(C)ccc(NC(c3cocc3)=O)c2)C(OC)=O	10553
+c1ccccc1-c2c(C(C)C)nc(N3CC(N(C(=O)c4ccoc4C)CC3)C)c(c2)C#N	1859
+c1cc(ccc1F)CNC(=O)c2sccc2C	227
+c1ccccc1CNC(=O)c2sccc2C	227
+c1cc(ccc1-c2cc3c(c(n2)O)ccs3)OC	10554
+c1(cnc(C(CCCCC#Cc2c(cccc2)Cl)=O)o1)-c3ncccc3	121
+O=Cc1cnc(cc1Cl)Cl	1639
+c1c(I)cc(c(Nc2c(cnc(Cl)c2)C(=O)OCC)c1)F	179
+c1ccccc1Nc2cc(Cl)ncc2C(=O)OCC	179
+c1cc(ccc1)Oc2cc(ncc2C(OCC)=O)Cl	242
+c1cc(ccc1OC)CNc2c(C(OCC)=O)cnc(Cl)c2	105
+C(C)OC(c1cnc2ccc(cc2c1)OC)=O	4272
+c1c(Cl)c(c(cn1)Cl)CO	41
+c1cc(ccc1S(=O)(=O)Nc2cncc(-c3sc(cc3)-c4cc5c(cc4)C(N(C)C5)=O)c2)F	322
+c1(cnccc1)-n2cc(c3ccccc23)CCC(=O)O	3
+c1(cnccc1)-n2cc(c3ccccc23)CCC=O	578
+c1(cnccc1)-n2cc(c3ccccc23)CCCO	237
+[N+](=O)(c1c(NCCOCCCc2cccnc2)c3ccccc3n4c1nnn4)[O-]	2048
+c1cnc(C(=O)Nc2cc(c(-c3cccnc3)nc2N)-c4c(cncc4)F)cn1	1285
+c1(cnccc1-c2cc3NC(Nc3nc2-c4cccnc4)=O)F	3100
+c1(c(nc(N)c(c1)N)-c2c(cccc2)F)-c3c(cncc3)F	13
+c1(cnccc1-c2c(-c3cccnc3)nc(N)c(c2)N)F	13
+c1(cnccc1NC(c2cnc3c(Nc4nc(ccc4)Br)cc(Cl)nn23)=O)F	3599
+c1(nc(cs1)-c2cc(Br)c(c(Br)c2O)O)C(O)=O	6
+C(O)c1c(c(sc1)C)C	4267
+c1(n(C)nc(CC)c1Cl)CO	194
+C(c1c(n(CCO)nc1C)C)C(=O)NCc2ccc(cc2Cl)F	647
+c1(n(CCCC(=O)O)nnn1)C	4
+c1(n(c2cc(cc(C)c2n1)C(=O)O)Cc3ccc4c(CCc5c(C4=CC#N)cccc5)c3)CCC	1
+c1c(F)cc(cc1CC(NC(=O)Cn2c3COCc3c(C(OC)=O)n2)c4c(-c5cc(c(cc5)F)C(N)=O)cccn4)F	1114
+O(C)c1c(N)cc(Br)nc1C(=O)O	1
+c1c(cnc(c1)NC(c2nc(cc(C#N)c2)CC)=O)F	10555
+c1cc(ccc1)COc2c(C)nc(Br)c(c2C)C	1900
+C(CC=C)CC(c1n2c(c(n1)C)C(NC(=N2)Cc3ccc(c(OC)c3)OC)=O)C(C)O	100
+c1(nc(CNc2nc(nc(Cl)c2NC=O)N)ccc1)N3CCCC3=O	40
+OCc1nc(Cl)ccc1	59
+c1(nc(N)nc(C)n1)-c2cccnc2Nc3cccc(c3)O	3147
+c1cc(ccc1)OC(Nc2nc(CN(C)C(c3nccnc3C)=O)cs2)=O	810
+c1ccccc1NC(=O)c2cccc(N3Cc4c(CC3)nc(SC)nc4)n2	187
+c1(nc(N2CCc3c(C2)cnc(SC)n3)ccc1)C(=O)O	1
+c1cc(ccc1)COc2c(c(cc(C)n2)O)C(=O)OCC	1424
+c1cc(ccc1)OC(C)c2ccc(C(NCc3c(cc(nc3O)C)C)=O)nn2	81
+c1cc(ccc1C(NCc2c(nc(C)cc2C)O)=O)C(C)OCC	14
+c1cc(ccc1C(C)CCO)C(NCc2c(nc(C)cc2C)O)=O	14
+c1ccccc1C(n2c(C)c(C(NCc3c(O)nc(cc3C)C)=O)c4c2cccc4)C	56
+c1ccccc1C(n2c3nc(Cl)ncc3c(c2C)C(=O)NCc4c(cc(nc4O)C)C)C	56
+c1cc(ccc1)C(=O)NC(=S)Nc2cc(Br)cc(C(OC)=O)n2	1780
+c1(nc(cc(c1)COC)Br)C	49
+c1(nc(cc(CO)c1)Br)C	88
+c1c(nc(c(C)c1)CO)C#N	59
+n1c(C)c(c(nc1NCCCc2cc(O)ccc2)C)C(=O)NC(C(O)=O)CNC(=O)c3sccc3	4
+n1c(C)c(c(nc1NCCCc2cccc3c2cn[nH]3)C)C(=O)NC(C(O)=O)CNC(=O)c4sccc4	4
+c1cc(cc(F)c1Oc2cc3c[nH]nc3cc2)Nc4nc(N)nc(c4)Cl	73
+C(C)OC(c1csc2cc(Oc3nc(N)nc(Cl)c3)ccc12)=O	185
+c12cc(Oc3nc(N)nc(Cl)c3)ccc1[nH]cc2	185
+c1ccccc1-c2nc([nH]c2)C3OCCN(c4nc(nc(Cl)c4)N)C3	54
+c1ccccc1Nc2cc(nc(N)n2)Cl	73
+c1cc(ccc1Nc2nc(N)nc(c2)Cl)C	73
+c1cc(ccc1CO)Nc2nc(N)nc(c2)Cl	73
+c1cc(ccc1Oc2cc(C)ncc2)Nc3nc(N)nc(c3)Cl	73
+c1ccccc1CNc2cc(nc(n2)N)Cl	40
+c1cc(ccc1NC(=O)C)S(=O)(=O)Nc2cc(Cl)nc(n2)NCC	570
+Nc1nc(nc(N)c1N)-n2nc(c3c2cc(cn3)F)Cc4ccccc4F	193
+c1(nc(nc(OC)c1)NC(=O)NS(=O)(=O)c2c(C(OC)=O)ccc(CCNC(=O)OC)c2)OC	10556
+c1(nc(nc(OC)c1)NC(NS(=O)(=O)c2c(cccc2)C(O)=O)=O)OC	1
+c1(nc(nc(c1)C=O)OC)C	2714
+c1cc(ccc1OC)Cn2cnc3c(nc(N)nc23)Cl	5023
+c1ccc2c([nH]c(C(NC(=S)N)C)n2)c1	2806
+c1(nc2c(c(C)c1)C(N(C(=O)N2C)CCCCC(O)C)=O)C	59
+c1cc(ccc1)C2CN(CC2)c3c4c(ccc(c4)N5CCCC5=O)nc(C)c3	264
+c1cc2c(cccc2)nc1COc3cc(CO)ccc3	412
+c1cc(ccc1OCc2ccc3ccccc3n2)CC(=O)OCC	412
+c1cc(ccc1OCc2ccc3ccccc3n2)CO	412
+c1cc(ccc1OCc2nc3c(cc2)cccc3)OCCC#N	412
+c1cc(ccn1)C#Cc2ccc(cc2)OCc3nc4c(cc3)cccc4	412
+c1(nc2c(cn1)cccc2)COc3cc(N)ccc3	0
+O=C(O)c1oc2ccc(cc2c1)Oc3nc4c(s3)cccc4	1
+c1(nc2c(nc(Cl)c(C#N)c2)n1C)C	1453
+c1(nc2cc(c(Cl)c(NC(=S)COC)c2nc1OC)Cl)OC	199
+c1(nc2ccc(N)cc2cn1)N	0
+c1(Cl)c(c(c2ccccc2n1)NCC#C)N	13
+c1cc(ccc1F)-c2cc(on2)CNc3c([N+]([O-])=O)c(Cl)nc4ccccc34	2347
+c1cc(ccc1[N+]([O-])=O)N(c2c3c(nc(C)n2)cccc3)C	860
+O=Cc1ncc(C)cc1C	178
+n1cc(Cl)nc(Cl)c1C(=O)C	4404
+n1c(ncc(c1CCc2ccccc2C(C(=O)N)C)Cl)Cl	801
+Nc1cc(Cc2cnccc2)cnc1NCCCc3ncc(cc3C)Br	13
+CC(C)(c1cc(n(-c2ccc(cc2)C)n1)NC(=O)Nc3c(Cl)c(Cl)c(cc3)Oc4ccnc(n4)Cl)C#C	446
+c1cc(ccc1Oc2ncccc2-c3nc(N)ncc3)N	136
+c1cc(-c2ccccn2)c(OC)cc1-c3nc4n(cccc4)c3	440
+C1C(=Cc2ccccc2OC1)C(Nc3ncccc3)=O	10557
+c1cc(ccc1O)Nc2ccccn2	781
+c1cc(ccc1-c2ccc3n(c(cn3)C#Cc4cc(ncc4)Nc5ncccc5)n2)C(N6CCOCC6)=O	346
+c1cc(ccc1CO)CNc2ccccn2	811
+c1cc(ccc1-c2nc3ccccn3c2)F	440
+c1cc(ccc1OC(Nc2ccccn2)=O)[N+]([O-])=O	278
+c1cc(ccc1)COc2cc(Nc3ncccc3)ncc2	834
+c1cnccc1-c2ccc(cc2)C(C(Nc3ncccc3)=O)CC4CCCC4	142
+C1C2(CCC1(CCC2)NC(=O)c3nc(C)cnc3)C(Nc4ncccc4)=O	142
+c1cccn2c(-c3nc(Cl)ncc3Cl)cnc12	10558
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4ccc(cc34)C(O)c5c(nccc5)OC	2988
+c1(C(C=O)C)ncccc1Cl	24
+c1(ncccc1OCCN(CC)CCNC(c2nc3n(cc(cc3)I)c2)=O)F	2588
+c1(ncn(-c2c(F)cc(N)cc2OC)n1)C	0
+c1c(c(ccc1F)C2c3nc(nc(c3CC2)NC(C)CCCOc4cc([N+]([O-])=O)ccc4-n5cnc(C)n5)Cl)F	40
+c1cc(ccc1F)C2CCc3c2nc(Nc4ccc(-n5nc(nc5)C)c(OC)c4)nc3NC	55
+c1(ncn(n1)-c2ccc(N)cc2OC)C	0
+c1(ncn(n1)-c2ccc(cc2OC)C#CCCCC=O)C	24
+c1cc(ccc1F)N2C(c3c(cccc3N=C2C(CC)Nc4ncnc(N)c4-c5nn(cn5)C)Cl)=O	40
+c1c2c(sc1C(=O)OCC)ncnc2Cl	10559
+c1(nn(c2cc(ccc12)N)Cc3ccc(C(=O)OC)cc3OC)OC	0
+c1n(nc(c1)N)CC(Nc2cccc(c2)F)=O	161
+c1(nn2c(cccc2Br)c1N)CC	209
+c1cc(ccc1Oc2ccnc3c2ncc(c3)OC)Nc4c5c(c(Cl)nn4)cccc5	1443
+c1(nncc2c1ccc(C)c2N)O	0
+C(CCc1nnn[nH]1)(c2cc(c(cc2)Cl)Cl)=O	214
+c1(nnn[nH]1)CCC(=O)O	4
+Oc1ccccc1C=Cc2cc(no2)CC	10560
+c1(nsc2ccc(N)cc12)NCCNC(=O)c3ccccn3	0
+c1(oc(C=O)cc1)CCCCCCCC(=O)O	4
+c1c(ccc2oc(C(=O)OCC)cc12)O	5
+C(C)C(CC)(c1cc(c(cc1)O)C)c2cc3c(cc(C(=O)OCC)o3)cc2	4438
+c1cc(ccc1-c2c(C(NC)=O)c3cc(c(cc3o2)N(C)S(=O)(=O)C)C4CCCN(c5nc6c(C#N)cccc6o5)C4)F	2600
+s1c(-c2c3ccccc3ccc2)c(nc1C(O)=O)C	6
+n12cc(COC(C)=O)sc1cnc2	10561
+c1cc(ccc1F)C(=O)Nc2c(nc(Nc3cc4cccnc4cc3)s2)C(N)=O	3154
+C1N(C(N(C1O)c2sc(C(C)Oc3cc(c(Cl)cc3)Cl)nn2)=O)C	88
+c1-2[nH]c3ccccc3c1Cc4c-2ccc(NCC)c4	15
+C(C)N(CC)c1cc2Cc3c([nH]c4c3cccc4)-c2cc1	15
+c1c2n(cc1C#N)-c3ccccc3N(CC)C2=O	1453
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C)Cc4c5cc(O)ccc5[nH]n4	101
+n1c2cc(nc(N3CC4C(NCC4)C3)c2ncc1)Cl	5024
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4C(CCC(C(=S)N)C4)C	199
+C1C2CCC(CN1)N2S(=O)(=O)CC	5024
+O(CC)C(OCC)C(N(Cc1cccc2cccnc12)C(C(C)N)=O)C	2139
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4C5CN(c6c7c(nccn7)cc(n6)Cl)CC5CC4	10562
+c12-c3c(cccc3)C(c1cccc2)COC(N4CCC(CC4)(CO)c5ccc(cc5)Br)=O	21
+C1CC(CCO1)NC(=O)c2c3c(cc(C(C)N)n2)cccc3Cl	2769
+n1ncn(c1)-c2ccccc2CNC(=O)C3N(C(C4(c5ccccc5-c6c4cccc6)O)=O)CCC3	9
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C4=Nc5cccc(C)c5C(=O)O4	2665
+CC(C)C(=O)Oc1cc2c(cc1)n[nH]c2CC(N)C	2769
+c1cc(ccc1)CC(C(=O)NCC(O)=O)N	2139
+Clc1cc(cc2cc[nH]c12)F	1561
+c1c(cc2cc[nH]c2c1CC)Br	1561
+c12C(=O)c3c(ccc(Br)c3)-c1nc(cc2)C=O	178
+N#Cc1ccc2C(=O)c3c(ccc(Br)c3)-c2n1	4676
+C1(CCOc2ccccc12)CC=O	24
+c1cc(c(CO)c(CO)c1)C	98
+c1ccccc1COc2cc(O)c3c(Oc4ccccc4C3=O)c2	22
+c12C3=C(C(CCC3(C)Cc1cc(cc2)O)=O)Br	5
+n1(c2c(c(C=O)n1)C3CCC2C3)C	178
+c12CC(C(O)=O)NC(CCC)c1[nH]c3ccccc23	4
+C1c2cc(c(cc2CC13C(NC(=O)N3C)=O)N)N	0
+c12CCC(Cc1c(N)ccc2)O	100
+c1ccccc1OC(Nc2cccc3CCC(O)Cc23)=O	90
+n1cccnc1N2CCN(CC2)C3CCc4cccc(OC)c4C3	85
+c1cc2c(CCC(NC(CC)=O)C2)c(N)c1OC	0
+C12CCC3(C)C(CCC3C1CCC=4CC(OC)=CCC2=4)=C	10563
+n1cc2c(CCCC2O)c(Br)c1	652
+C1CCCc2c1cc(c(N)n2)N	13
+c1ccccc1COC(NCC2Cc3c(c4c(CCC4)cc3Cl)O2)=O	101
+c1c2c(CCNC2C)c(Br)cc1	1218
+c1cc(ccc1OC)S(=O)(=O)N2c3c([N+](=O)[O-])cc(cc3CC2)Br	416
+c1c2c(CCc3ccccc3C2=C4CCC(CC4)NC(=O)OCc5ccccc5)ccc1	904
+C1Cc2ccccc2C(c3ccccc13)C(C(=O)O)C(=O)O	3
+c1cc(ccc1C(=O)N2c3c(cccc3)Cc4c(C2)cccc4)[N+]([O-])=O	448
+c1cc(ccc1C(=O)N2Cc3n(ccc3)Cc4c2ccs4)[N+](=O)[O-]	4028
+c1cc(ccc1Cl)CNC(C2=CN3c4c(cc(cc4N(C)C(C3)=O)I)C2=O)=O	1267
+C1(N(C(N(c2c1cccc2)CC(=O)Nc3cc(Cl)c(OC)cc3OC)=O)CC(=O)O)=O	4
+c12OC(=O)C3=C(C(C(C(=O)Nc4[nH]nnn4)=CN3C)=O)c1cccc2	10564
+c12OC(=O)C3=C(C(C(=CN3C)C(=O)O)=O)c1cccc2	108
+c12OCC(C)N3c1c(c(N)c(c2F)F)C(C(C#N)=C3)=O	10565
+c1ccc2c(OCCCC2N)c1	840
+O=S(=O)(n1c2c(cc1)c3CN(C)CCOc3cc2)c4ccccc4	367
+c1c(cc2c(c1)OCCO2)O	1437
+c12OCOc1cc3C4(c5c(N(C4=O)CC(=O)O)cccc5)COc3c2	3
+c12OCOc1cc3C4(C(N(CCC=O)c5c4cccc5)=O)COc3c2	24
+O(C)C(c1c(C(O)=O)c(OCc2cc3c(OCO3)cc2)ccc1)=O	1
+c12[nH]c(C)cc1cc(cn2)O	390
+c12c(NC(C1=Cc3[nH]c4CCCCCc4c3CCC(=O)O)=O)cccc2-c5cccc(F)c5	292
+c12c(C(C(N1)=O)=Cc3[nH]c4CCCCCc4c3CCC(=O)O)cc(cc2)Br	292
+NC(=S)c1cc2c([nH]1)c(cc(c2)Oc3cnc(cc3)COC)OC	742
+c12[nH]c(cc1cc(Oc3cnc(cc3)COC)cc2OC)C(=O)O	6
+c1ccccc1-c2cc(C)c3[nH]c(CCC)nc3c2	495
+c1ccccc1C=C2C(=O)c3c(c4c(c(ccc4[nH]3)Cl)Cl)CC2	1103
+c12C(CNc1cccc2)C	10566
+c12c(c(CC(NC(=O)C)CO)c[nH]1)nccc2	44
+[N-]=[N+]=NCc1ccc2c([nH]cn2)c1	925
+c1n(c2c(ccc(N)c2)n1)-c3nc(Cl)cnc3	10567
+c12[nH]cnc1ccc(N)c2	0
+c12[nH]cnc1ccc(CO)c2	217
+c1ccccc1N(NC(c2c3ccccc3nc(c2Cn4cnc5c4cccc5)-c6ccccc6)=O)C(OC)=O	10568
+c1cc(ccc1S(=O)(=O)Nc2nccs2)-c3nc4c(cccc4)[nH]3	10569
+c1cc(ccc1-c2nc(co2)C(OCC)=O)Cn3cnc4ccccc34	1947
+c1ccccc1C2=CCN(CC(=O)Nc3cc4c(-c5nc(O)c6c(cccc6)c5C4)cc3)CC2	10570
+c12c(-c3c(cccc3)C1)ccc(c2)CCC(O)C	100
+c1c2c(CCN2)c(Br)cc1	931
+c1c2cnc(Cl)nc2c(Br)cc1	10571
+c1ccccc1CC=2C(N3CCSC3=NC=2C(CC)N)=O	1764
+C1(c2c(C(=O)N1C(c3cc4c(nc3-c5sc(C)nn5)c(ccc4)Cl)C)cccc2)=O	10572
+c1cc(ccc1)C2C(N)CCC2	45
+CC(C)(c1ccccc1)C(NC(=O)c2csc(-c3n(ncc3)C)c2)CN	45
+c1ccc2c(c1)C(=O)N(C2=O)CC3NCCCC3C	62
+c12c(C(=O)N(C1=O)CC=CCCCC(O)=O)cccc2	4
+C(C=CCCCC(=O)O)N	1764
+O1CCOC1(CCCCCCN)C	45
+c12c(C(=O)N(C1=O)CCCCCCCCCCCCP(O)(O)=O)cccc2	228
+c12c(C(=O)N(C1=O)CCCCCCCCCCCCP(OCC)(=O)O)cccc2	228
+C(CCc1cc2c(cccc2)nc1)CCCN	45
+c1cc(ccc1-n2cnnn2)OCCCCN	45
+c1cc(ccc1N)OCCCCN2C(c3c(C2=O)cccc3)=O	0
+c1(F)cc(cc(F)c1)OCCN(CCCN)C	45
+C1(c2c(C(=O)N1CCCN(S(=O)(=O)c3ccc(cc3)C)CC(F)(F)CCN4C(c5c(C4=O)cccc5)=O)cccc2)=O	896
+c1cc(ccc1F)Cc2cnc3c(N(CCN)C(=O)C(C(=O)NCCOCC)=C3O)c2	45
+C(c1ccc2ncccc2c1)n3nnc4c3nc(C(=NOCCN)C)cn4	45
+c12c(C(=O)N(C1=O)CCc3n(CCC)nc(c3)C#N)cccc2	331
+c12c(C(=O)N(C1=O)CCc3cc(nn3CCC)C(=O)O)cccc2	6
+CC(C)(Cn1c2c(nc1CN)cnc3cccnc23)O	45
+c12c(C(=O)N(C1=O)c3c(cc(Cl)c(N)c3)F)cccc2	0
+c12c(cccc1F)n(Cc3c(F)cc(-c4cnn(C)c4)cc3)cc2C(OC)=O	962
+C(Sc1c(ccc(F)c1)F)CN2CC(CC(=O)OC)C(CC2)CCC(=O)c3c4c(ccc(OC)c4)ncc3F	155
+c1ccccc1COc2nc(cc(OC)c2CN3C(=O)c4c(Cl)c(cc(Cl)c4CC3)Br)C	4354
+n1c(c(ccc1NCc2c(Cl)cccc2)Cc3c[nH]c4c3cccn4)F	10573
+C1CC(CCN1C)c2c[nH]c3c(C)cc(cc23)OC	671
+c12c(C)ccc(N)c1[nH]cc2C#N	13
+CC(C)c1c(ccc(C(=O)n2ccc3c([N+]([O-])=O)ccc(C)c23)c1)OCc4ccccc4	10574
+c1cc(ccc1CNC(c2ncnc3scc(C)c23)=O)Cl	81
+C12=C(C(C(=C(OC)C1=O)OC)=O)CC(C2)(C(NC)=O)CCCCCCCCO	1450
+c12c(CC(C1)C3NC(=O)C(N(C3=O)Cc4ccccc4C=O)C(CC)CC)cccc2	39
+c12c(CC(C1)C3NC(C(C(CC)CC)N(C3=O)Cc4ccccc4N)=O)cccc2	0
+C(C(=O)O)CC1CCc2c(C1)nc3c(CCCN3)c2	3
+c12cccc(OC)c1occ2CCO	44
+O(c1ccc(O)c2c1CCC2)C	5
+c12cc(c(I)cc1CCC2)CO	41
+c1(cccc(F)c1)N2C(c3c(cc4c(CCC4)c3)C2=O)O	5025
+c12c(CCC1)cc3c(C(=O)N(C3=O)c4cccc(F)c4)c2	668
+c1c2c(N(CC2)c3c4c(CCC4)nc(-c5ccc(s5)Cl)n3)cc(c1)O	860
+c12c(CCC1Cc3nc[nH]c3)cc(c(CO)c2)O	41
+c12c(CCC1Cc3nc[nH]c3)cc(c(c2)C=O)O	5
+c1cc(ccc1N(C)C(C2c3ccccc3CCC2)=O)OC	3194
+Nc1cccc2nc(CN(C)C3c4c(CCC3)cccn4)[nH]c12	13
+Clc1c2c(cc3CCN(CCc13)C(OCC)=O)CCC(N2)=O	10575
+[N+](c1cc(Br)c2[nH]ccc2c1)([O-])=O	1452
+c12CCc3ccccc3C(c1cccc2)C(C(=O)OCC)C(=O)O	3
+c1ccccc1CCCC(C(C)O)C(NC(c2c(nc(nn2)Cc3c4ccccc4ccc3)O)C)=O	9
+c1cc(ccc1OCc2ccccc2)-c3c4ccccc4nc5CCCCc35	699
+c1cc(ccc1OC)COc2c3ccc(c(Cl)c3nc(Cl)c2)OC	260
+c1cc(ccc1C(C)(C)c2c[nH]c3cccc(Cl)c23)OC	1263
+Nc1cc2c3c(Cl)ccnc3[nH]c2cc1	0
+N(C)c1cc2c3c(Cl)ccnc3[nH]c2cc1	695
+c12ccc(C)c(c1cnnc2Nc3cccc(C(=O)C)c3)I	1443
+C1(Cc2cccc(F)c2N1CCF)=O	1562
+c12cccc(F)c1NCC2	931
+c12nc(NC(=O)CN3C(N(c4c3cccc4)c5ccccn5)=O)ccc1CC6(c7cccnc7NC6=O)C2	142
+c1cc(ncc1Br)C(Nc2c3c[nH]nc3cc(-c4c5cc[nH]c5ccc4)c2)=O	187
+c1cc(ccc1)-n2ncc3c(cc(cc23)C)N	2993
+C(CC1c2c(NC(=O)C1)cccc2)OC	21
+c12c(O)c(C#N)cnc1cc(c(OC)c2)F	1014
+c1c(Cl)c2c(c3c(c(OC)c2)cccn3)nc1CO	398
+c12c(OC)ccnc1c(N)c(Cl)cc2	13
+c12OCC(Cc1c(ccc2)O)C	241
+C(COc1ccc2cccnc2c1)CNCC3Oc4cc(ccc4OC3)OC	132
+c1cc(ccc1S(=O)(=O)OCC2COc3ccc(cc3O2)OC)C	36
+c1c2c(OCCO2)cc(C(c3c(ccc(I)c3)Br)=O)c1	222
+c1(cc(c(cc1)Cl)C(c2cc3c(cc2)OCCO3)=O)I	222
+c1cc(ccc1-c2cn(CC)c3cccc([N+](=O)[O-])c23)C	550
+N1(CCc2ccc(-c3cn(c4nccc(N)c34)C)cc12)C	0
+Nc1cc(ccc1O)Oc2c3c([nH]cc3)ncc2	0
+C(c1c(Sc2c3c([nH]c2)cccc3)cccc1)C(O)=O	4
+c12c([nH]cn1)cc(N)cc2C(=O)OC	0
+c12c3c(OCC3)ccc1c(c[nH]2)CC	1283
+c12c(c(C)cc(N)c1)ncc(Cl)c2	0
+c12c(c(C)cc(c1)Br)ncc(c2)F	10576
+c12c(c(CC(N)CO)c[nH]1)nccc2	524
+c1ccccc1COC(=O)NCCCNc2c3c(nc(c2[N+]([O-])=O)Cl)cccc3	105
+c1cc(ccc1-c2c3c(nc(C#N)c2)cc(cc3)C)F	699
+c1(c(c2[nH]ccc2cc1Br)C(=O)O)F	1452
+O=C1c2ccccc2C(=O)N1CCCN(c3c(F)cc(C4=CC(=O)c5c(c(F)cc(c5N)F)O4)cc3)C(C)=O	988
+c12c(cccc1I)c(ccn2)O	1220
+c1c(c(ccc1)Nc2[nH]c3c(O)cc(cc3n2)C#N)Br	390
+c1c(c(c2c(c1)C3=CC(=O)CCC3(CCCC)C2)C)OC	2992
+c1c(c(c2CC3(CCCC)CCC(C(=C3c2c1)C)=O)Cl)OC	10577
+C1N2C(CN(CCc3cc(OC)c(cc3)C#N)C1)COC(c4c(c5COC(c5cc4)=O)C)C2	61
+c12c(Cl)ccc(N)c1nccc2	13
+c12c(O)c(cnc1cc(c(OC)c2)F)C(=O)O	6
+c1(C)c(N)cc2c(c(ncc2)O)c1	106
+c1cc(ccc1OC)CN2C(=O)c3c(cc(cc3)F)C=C2	5022
+c12c(c(ncn1)Nc3cc(N)cc(OC)c3)scc2	0
+c1cc(ccc1O)Sc2c3c(Br)cccc3nc4c2cccc4	5026
+c1cc(ccc1Cn2cc3c(c(nc4ccccc34)O)n2)OC	10578
+c1cc(ccc1)-c2c3c(ccc([N+](=O)[O-])c3)[nH]c2	550
+c1cc(ccc1-n2c3ncnc(Cl)c3c(c2)Br)C	5005
+c12c(cc(-c3cc(ccc3C)F)cc1)cnc(c2)Nc4nc(ccc4)OC	834
+c12c(cc(-c3cc(ccc3C)F)cc1)cnc(c2)Nc4nc(O)ccc4	104
+c12c(cc(C(NCc3cnccc3)=O)cc1)ncn2-c4cc(ccc4)NC(C)=O	14
+c12c(cc(cc1sc(Br)n2)CO)F	49
+c1cc(ccc1C(=O)Nc2ccc(c(c2)CNc3cnc4[nH]c(C(=O)OC)cc4c3)C)CN5CCN(CC5)C	3118
+c12c(cc(C(=O)OC)[nH]1)cc(N)cn2	13
+c12c(cc(C(=O)OC)[nH]1)cc(CN)cn2	388
+c12c(cc(c(c1)OC)COC)cc(cc2)Br	49
+c12c(cc(C(NCc3cnccc3)=O)cc1)ncn2-c4cccc(N)c4	106
+c12c(cc(c(c1)OC)C=O)cc(cc2)Br	39
+c12c(cc(cn1)CO)nc(s2)-c3c([N+]([O-])=O)cccc3	88
+Clc1c(Cl)cc2c(c1)OCC(=O)N2CC(=O)O	3
+N(C(NC1C(CN(C)C2CCc3c(C2)ccc(F)c3)CCCC1)=O)c4cc(-c5n(C)nnn5)cc(c4)CC	238
+c12c(cc(N)cc1)N(C(=O)O2)C	0
+c1ccccc1CC(C(OCC)=O)NC(Cn2c3c(cc2)cc(cc3)[N+](=O)[O-])=O	188
+c12c(cc([N+]([O-])=O)cc1)ccn2CC(=O)O	4
+c12ccccc1cc(N)cc2C(OC)=O	0
+Nc1cc2c(nc(o2)C)c(c1)O	0
+c1(C)c(N)cc2c(c1)OC(C3=C2CCNC3)=O	0
+c1cc(ccc1F)-c2cc3OCOc3cc2Br	11
+c1cc(ccc1NCc2ccc3cc(O)c(C(O)=O)cc3c2)C(C)C	208
+c1cc(ccc1)C(COC(c2c(cc3c(c2)cc(C(=O)OC)cc3)O)=O)=O	10579
+c12c(cc(C=C)c(c1)OC)cc(cc2)Br	443
+c12c(cc(CO)c(c1)OC)cc(cc2)Br	88
+n1(ccnc1)-c2cccc(-n3c4ccc(cc4nc3)C=NOC)c2	10580
+c12c(cc(C=O)cc1)ncn2-c3cccc(c3)Br	39
+c1ccccc1COc2c(cc(cc2)-n3c4c(cc3)c(cc(F)c4)Br)F	1194
+c12cc(cc(c1cccc2)CO)CCOC	98
+c1(cc2c(c(c1)CO)cccc2)Br	98
+c1(cc2ccccc2c(COC)c1)Br	49
+c12c(cc(C(=O)O)cc1sc(Br)n2)F	1
+c12c(F)cc(C=O)cc1sc(Br)n2	39
+c12c(cc(COC)cn1)nc(s2)-c3c([N+]([O-])=O)cccc3	382
+Nc1c2cccnc2c(cc1)C#N	0
+c1c2ccc(cc2cc(c1)C(O)=O)C(C)=O	1
+Nc1ccc(F)c2cccnc12	13
+c12c(ccc(N)c1OC)CCC2=CCN	3642
+Nc1ccc2c(C(CCNC(C)=O)CC2)c1OC	191
+c12c(ccc(c1)O)CCC2CCNC(C)=O	5
+C(c1c(ccc2cc(OC)ccc12)O)C=C	423
+c1(C=O)cc2c(cc1)cco2	1766
+c1cc(ccc1[N+]([O-])=O)Cc2cn(C)c3ccc(C(=O)OC)cc23	10581
+c1c(ccc2-c3c(cccc3)Cc12)C	3072
+C(C(C)=O)=Cc1cc2c(cc1)-c3c(cccc3)C2	10582
+Fc1cc(cc(F)c1)-c2c(CC)nc3c(cc(cc3)F)c2O	796
+c1c2c(ccc1OCCCl)C(CC2)C(OC)=O	267
+c12c(nc(c(c1)C(C)N)-c3ncccc3)cccc2Cl	45
+C1(=O)c2ccccc2C(=O)N1CCCCC(C#N)(N3C(c4ccccc4C3=O)=O)CF	1656
+O=C1c2ccccc2C(=O)N1C=Cc3cc4c(cc3)ncc5nc(n(CCCN6C(CCC6)=O)c45)CCOC	5027
+c1cc(ccc1CCO)C=CN2C(=O)c3ccccc3C2=O	5027
+C1(c2ccccc2C(=O)N1CCCOc3ccc(F)cc3[N+](=O)[O-])=O	8
+C1(c2ccccc2C(=O)N1CCCOc3cc4ccc(O)nc4cc3)=O	8
+C1(c2ccccc2C(=O)N1CCCOc3cccc(C4N(CCC4)c5ccn6ncc(C(OCC)=O)c6n5)n3)=O	1923
+O=C1c2c(cccc2)C(=O)N1CCCN3CCN(CC3)Cc4ccccc4	28
+c1cc(ccc1Cl)CCNCCCN2C(=O)c3ccccc3C2=O	132
+c1cnccc1OCCCN2C(c3ccccc3C2=O)=O	8
+c12c(C(=O)N(C1=O)CCCCOc3ccc(cc3)[N+]([O-])=O)cccc2	8
+c1ccccc1C(c2ccccc2)N(C)CCN(CCCCN3C(=O)c4ccccc4C3=O)C	28
+c12c(cccc1)C(=O)N(C2=O)CCCCC(c3occc3)O	3627
+c12c(C(=O)N(C1=O)CCCCCCC(=O)C)cccc2	1965
+c1cc(ccc1SC(C#N)(CCCCCN)c2ccc(OC)c(c2)OC)C	45
+O(c1c(C)cccc1)CCCCCCCCN	45
+C(CN)CCCCCCOc1cc(F)ccc1	45
+c1(OCCCCCCCCN)cccc2ccccc12	45
+c12c(cccc1)C(=O)N(C2=O)CCCCC=O	24
+CCn1c(c2c3ccccc3nc(N)c2n1)CCCCN	45
+CN(C)C(=S)Oc1ccc(cc1)CCCCN	45
+c1c2c(oc1CCCCN)cc(cc2)C(=O)OCC	45
+O=S(=O)(c1c([N+]([O-])=O)cccc1)N(CCCN)C(C)C	45
+c1cc(ccc1CCN(CC)CCCN)Cl	45
+c12c(c(F)cc(F)c1OC(c3cc(F)c(NCCCN)cc3)=CC2=O)N	45
+C(N)CCSc1ncco1	45
+c1cc(ccc1CCCN)CCCCC	45
+c12c(C(=O)N(C1=O)CCN3c4cc(cnc4C(=C(C(=O)OCC)C3=O)O)Cc5ccc(cc5)F)cccc2	3380
+C(CN(Cc1nc2c(cc1)cccc2)C)N	45
+O=C1c2ccccc2C(=O)N1CCSCc3oc(CO)cc3	3155
+c1c(C)nc(CCN)cc1	45
+CC(C)COc1nc(ccc1-c2c(F)ccc(OC)c2)CN	45
+c1cc(ccc1)COC(N2CC(C(CC)C2)Nc3c(cnn4c3cc(-c5cnc(CN)cc5)c4)C(=O)N)=O	45
+c1(cc(CN)no1)-c2cccnc2	45
+O=S(=O)(c1cccc2cnccc12)Oc3cc(C)cc(c3)OCCCON	670
+c1(cc([nH]n1)NC=C2c3ccccc3NC2=O)-c4cc(ccc4)OC	4604
+c1cccc2c1C=Cc3ccccc3C2O	488
+c12c(cccc1)CC(C(O)=O)C(N2)=O	4
+c12c(cccc1)CC(C2)Nc3nc(nc(n3)NCc4ccc(cc4)C(=O)Nc5ccccc5N)N	67
+c12c(cccc1)CC3OCC(N(CC(O)=O)C23)=O	3
+c12c(cccc1)Sc3c(cccc3)C2=CC(NCCCCCC(=O)Nc4c(cccc4)N)=O	33
+c12c(cccc1)Sc3c(cccc3)C2=CC(NCCCCCC(=O)O)=O	4
+c12ccccc1c(CC(=O)O)nn2Cc3ccc(nc3)NC(c4cc5ccccc5cc4)=O	3
+c12ccccc1c3c(cccc3)n2CC(O)CNCc4ccco4	122
+C1Oc2c(C1=O)c3c(cccc3)cc2	214
+O=C1c2c(C(=O)N1CCOc3cc4c(cc3)cccc4)cccc2	332
+c1cc(ccc1NC(NCC2OCCN(Cc3cccc4c3cccc4)C2)=O)Cl	171
+c12c(n(CCO)c(N3CCCNCC3)n1)cccc2	665
+c12c(cccc1)n(c(N3CCCNCC3)n2)CCOCC	215
+c1cc(c(cc1CN2C(CCNc3nc4c(c(O)c3)cccc4)CC=CC2)Cl)Cl	554
+c1(Cl)c2c(N(C(C2)=O)C)ccc1	1562
+O=C(O)c1c2c(cccc2F)n(Cc3c(F)cc(-c4cnn(C)c4)cc3)c1	1
+c1c(c(cc(c1)Nc2ncnc3cccc(F)c23)Cl)OCc4cnccn4	73
+c1cc(ccc1C)S(=O)(=O)OCCOCC(c2ccc3sccc3c2)O	36
+c1cc(ccc1C#N)-c2ccc3c(cnc(CCN4C(C)CCC4)c3)c2	11
+c1cc(ccc1C)S(=O)(=O)OCCc2cc3c(cn2)cc(cc3)Br	36
+c12c(cnc(c1cccc2C)O)C(=O)O	104
+c12c(cncc1)ncn2-c3ncccc3	10583
+c1ccccc1CN2CCc3c(C2)ncn3-c4ncccc4	10584
+c12c(cncc1F)sc(-c3c(N)cccc3Cl)n2	0
+[nH]1c2c(c(c1)-c3cc(ccc3)C#N)c(ncn2)Cl	10585
+c1ccccc1C(Nc2c3cccc(F)c3n[nH]2)=O	330
+c1(nc(SC)nc(Cl)c1C#N)NC(C)c2nc3c(cc2-c4ccnn4C)n(cc3)C	40
+c1c2c(oc(n2)CC)cc3c1CCN(CC3)CCCSc4nnc(n4C)-c5c6ccc(C)nc6ccc5	53
+c1cc(ccc1-c2ccccc2-c3[nH]nnn3)CNc4nc(nc5c4CCCC5)C	40
+c12c(nc(C=Cc3ccc4OCc5c(cccc5)C(O)c4c3)cc1)cc(Cl)c(F)c2	488
+c1(c2c(CCC2C)ncn1)O	10586
+c1cc(ccc1)Oc2ccc(CNC(=O)c3c(nc4CCCc4c3)N)s2	56
+c12c(nc(c(c1)C(=O)O)N)CCC2	6
+c1ccccc1C(O)CNc2nc(nc3sc(cc23)C)C	1108
+CCCNc1nc2c(nc(CN)nc2NC)c(n1)NC	10587
+c1cc(CNc2c3cc(C#N)ccc3nc4CN(C(=O)c24)CC)cc(Cl)c1OC	105
+c12cccc(CO)c1nc[nH]2	295
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc5c(c(ccc45)Br)C	10588
+c1cc(ccc1)OC(=O)Nc2cc3CCCc3nc2	950
+c12c(ncc(N)c1)CCC2	13
+c12c(c(N)c[nH]1)nccc2	193
+c1c2c(N(c3c(nccn3)S2)COC)cc(CO)c1	98
+[nH]1c2c(ncc(-c3cccc(Nc4ncnc5ccccc45)c3C)c2c6ccc(OCCOC)cc16)C(N)=O	73
+c1ccccc1C=2c3c(cccc3)C(=O)OC=2C(C)n4ncc5c(N)ncnc45	10589
+c1cc(ccc1C(N2C(=O)CC(C(Oc3nc(cc4nn(C)cc34)Cl)C)C2)C)OC	10590
+C(C(OCC)=O)n1nc(C#N)c2c1C(C3C2C3)OCOC	331
+c1cc(ccn1)C(NC(C(C)(C)Cc2ccccc2)n3nnc4ccccc34)=O	5028
+c1cc(ccc1)C(=O)NC(n2c3c(cccc3)nn2)C(C)(C)Cc4ccccc4	5028
+c12c(nnc(c1c(N)ccc2)O)Cc3ccc(F)c(Br)c3	0
+C(C)OC(N1CCc2c(ccc3CCC(=O)c23)CC1)=O	1762
+C1(C)Cc2c3c(c(N)c(c2F)F)C(C(=CN13)C(=O)O)=O	0
+c1ccc2CCN3CCCc1c23	10591
+c1c2c3ccc(cc3n(c2cc(c1)OC)-c4ccccc4OC)OC	2246
+c1c2C(N(C(c3cccc(cc1N)c23)=O)CCCC(=O)O)=O	0
+C(CCCO)n1c2c3c(cccc3)ncc2nc1CCC	237
+C1(C(C)=O)CCSc2[nH]c3c(c12)cccc3	86
+c1ccc2c(c1)c3ccccc3c4cnc(O)cc24	104
+c1cc(ccc1)-c2nc(nc(Cl)c2)-n3c4c(cccc4)c5ccccc35	198
+c1ccccc1COc2c3c([nH]nc3)ccc2	22
+c1cc(ccc1Oc2c3cc(c(OCCOC)cc3ncc2)C#N)[N+]([O-])=O	242
+c1c2[nH]c(cc2ccc1Oc3nc4c(s3)cccc4)C(OC)=O	1523
+O=CC1=C(c2cc(C)ccc2N(C1=O)CCCCCC)OC	10592
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(OC)cc4C	2829
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(cc4C)O	5
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(C(=O)O)cc4C	1
+c1cc(ccc1OCC2CCN(CC2)C(=O)C=Cc3cnc4c(CC(C(OC)=O)C(=O)N4)c3)F	404
+c1c(c(F)c(c(c1)C=Nc2c3c(cc(c2)F)nc(O)cc3)Cl)OC	457
+c1c2c(ccc1)oc3ccc(cc23)-n4c5ccc(cc5c6ccccc46)Br	2246
+c1ccccc1COc2c(NC(C)=O)cc3ccccc3c2	22
+c1(c(nc2cc(OC)c(OC)cc2c1)Cl)C#N	1453
+c12C(CCc1cc(CCCCCC)c(c2)O)=O	5
+c1cc(ccc1Oc2ccnc3cc(OC)cc(c23)OC)[N+](=O)[O-]	242
+c1(cc2c(c(c1)O)nccc2)OC	390
+c1(ccc2c(-c3[nH]c4ccccc4c3C2)c1)OC	1150
+c12cc(ccc1[nH]cc2C(=O)c3cccc4ccccc34)OC	787
+c1ccccc1CN2C(C(CC2=O)c3c[nH]c4ccc(OCC#C)cc34)=O	10593
+c12cc(OCCCC(=O)O)c(cc1CCC2=O)CCCCCC	3
+c1cc(Oc2ccnc(n2)N)cc3CCNc13	931
+c12cc(Oc3ccnc(n3)N)ccc1[nH]cc2	511
+O=C(n1ccc2cc(Oc3ncnc(N)c3)ccc12)NC	2121
+c12C(Cc1ccc(N)c2)=O	0
+c12cc(N)ccc1CCCCN2C(=O)C	0
+c12cc(N)ccc1CCCN2C(=O)C	0
+c1c(C#N)nc2c(c1)cc([N+]([O-])=O)cc2	10594
+c1cc(cc(C)c1Oc2cnc(C)cc2)Nc3ncnc4cc([nH]c34)-c5occc5	1190
+c1cc(ccc1S(=O)(=O)NC(C(C)C)C(=O)OC)-c2ccc(cc2)COc3c(cc4ccccc4n3)C	1155
+c1ccccc1NC(Cc2n[nH]c(Nc3c4c(cc(OC)cc4OCCCl)ncn3)c2)=O	33
+O=Cc1c2c(cc(CCOC)c1)cccc2	39
+c1ccccc1COc2cc3c(CCC3=O)cc2	22
+c1cc2c(cc1F)C(O)CCC2	74
+c1cc(N)c(NC(CCCCCNC(c2cccc(C=C3c4c(NC3=O)ccc(c4)F)c2)=O)=O)cc1	33
+c12cc(ccc1NC(=O)C2=Cc3cccc(C(NCCCCCC(=O)O)=O)c3)F	4
+C(c1cc2c(OC(C)C(=O)N2)cc1)(=O)O	1
+c1ccccc1S(=O)(=O)n2c3c(cc(OCC=C)cc3)cc2	367
+c1(C=O)cc2c(cc1)c3c(c(N)n2)ncc(c3)CCc4ccc(OC)cc4C	39
+c12cc(ccc1c3c(c(N)n2)nccc3)CO	98
+c12cc(CC)ccc1c3c(c(N)n2)nccc3	1393
+c1(C=O)cc2c(cc1)c3c(c(N)n2)nccc3	39
+c1cc(ccc1)CC(=O)c2c(n(c3cc(C(OC)=O)ccc23)Cc4ccccc4Cl)CCC	432
+c1cc(ccc1F)-c2cc(F)cc3cc(C(=O)N)n(C)c23	1009
+c12cc(n(c1c(cc(c2)F)Br)C)C(=O)O	6
+c1cc(ccc1-c2cc(C)ncc2)CNc3nccc4cc(Cl)ncc34	4054
+c12cc(sc1c(Cl)c(Cl)c(OCC(=O)O)c2)C(O)C	3
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	73
+c1cc(ccc1N2C=CC=CC2=O)-n3cc(CNC(c4ccc5c(cc[nH]5)c4)=O)nc3	14
+c1cc(ccc1)-c2noc(c2-c3oc(nn3)-c4ccc5c(cc[nH]5)c4)C	2226
+c1cc(ccc1-c2c(Br)cccc2)Cn3ccc4cc(ccc34)C	4194
+c12cc[nH]c1ccc(c2)Nc3ncnc(Cl)c3[N+]([O-])=O	73
+c1cc(ccc1)NC(n2ccc3cc([N+](=O)[O-])ccc23)=O	10595
+c1cc(ccn1)CCc2c[nH]c3c2cc([N+](=O)[O-])cc3	10596
+c1cc(ccc1C)S(=O)(=O)n2c3c(cc(cc3)F)cc2	367
+n1c(c2c(n[nH]c2)nc1)-c3cccnc3Nc4c5c(ccc4C)c(Cl)ncc5	3147
+c12ccc(C)c(N)c1ccnc2Cl	0
+c1cc(ccc1C(Nc2nccc3c2ccc(C)c3[N+]([O-])=O)C)Cl	70
+c1ccccc1Cn2c3ccc(nc3cc2C#N)Cl	5029
+c12c3ccccc3nc(Nc4cc5c(c[nH]n5)cc4)c1[nH]nc2	10597
+O=S(=O)(c1ccc(cc1)C)n2ccc3c(Nc4ccc5cn[nH]c5c4)nc(nc23)Cl	1665
+Nc1cc2ccc(O)nc2cc1	0
+c1cc(ccc1)OC(N2CCC34C(C2Cc5c3cc(OC(C)=O)cc5)CCOC4)=O	1142
+c1cc2CC(Cc2cc1OC)C(OC)=O	4378
+c12ccc(OCC)cc1cc(OC(C(=O)O)CC)cc2	4
+c12cc(ccc1oc(C=O)c2)-c3noc(-c4ccc(c(OCC)c4)OCC)n3	2180
+c12cc(ccc1cc(CO)cc2)C	49
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3cc4[nH]ncc4cc3	1505
+C(c1ccc2c(c(ccc2)O)n1)N	2880
+C(c1ccc2c(ccc(n2)C)c1)N	107
+Nc1cc2ccc(nc2cc1)C	0
+c12ccc(nc1ccc(C#N)c2)C	274
+c1cc(ccc1Cl)-c2c3c4c5c(ccc4cc2)cccc5cc3	11
+c1cc(ccc1)Cn2c3c(c4c2cccc4C(OC)=O)C(=O)CCC3	190
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)C=O	39
+C1Cc2c(NC1)c(ccc2)O	1352
+c1cc(ccc1-n2c3cccc(c3nc2)[N+]([O-])=O)C#N	5009
+COc1c2CNCc2ccc1	162
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CC[N+](=O)[O-]	364
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CCN	157
+Nc1cccc2c(cccc12)CC(O)=O	0
+c12ccccc1-c3c(cccc3)C2COC(=O)NC(COS(=O)(=O)c4ccc(cc4)C)(C(OC)=O)C	36
+c1(cc2c(cc1)-c3ccccc3C2CO)C	21
+c1cc(ccc1)C2(C(=O)Nc3ccccc23)O	4556
+c1cc(ccc1-c2ccc(cc2)-c3c(c(C)no3)CC(NC4c5ccccc5CC4O)=O)C6(CC6)C(=O)OCC	9
+c1c2c(C(Nc3nc(cnc3CC)CC)C(O)C2)ccc1	464
+c1ccccc1C#Cc2cc(c(N3C(C)=Nc4ccccc4C3=O)cc2)C	2103
+c12c(cccc1)C3(c4c(cccc4)C2C3)CN5CCC(CC5)(c6cccnc6F)O	10598
+C12CC(=O)C(CC1)c3ccccc23	86
+c1ccc2CCc3ccccc3C(c2c1)CCO	21
+C1Oc2cc(NC(CCNCC3COc4ccccc4O3)=O)ccc2O1	4844
+c1ccccc1CNC(=O)C2(c3c(cccc3)Oc4ccccc24)C	9
+c1cc(ccc1)S(=O)(=O)N2CC(c3cn4c5c(cccc35)CCC4)C(c6c[nH]c7c6cccc7)C2	92
+c1cc(ccc1)C(=O)N(C)C(CCNC(=O)c2ccnc3ccccc23)Cc4ccccc4	14
+O(CCO)CCc1cccc2ccccc12	21
+c1cc(ccc1F)C(=O)c2nc3c(c(Cl)n2)cccc3	2329
+C1CNc2c(C1)ncc3ccccc23	15
+Cc1[nH]c2ccccc2c1C(c3cccc4ccccc34)=O	787
+c1c2c(CNC)c3n(c2ccc1)CCC3	10599
+N(c1c(cccc1)NC(=O)c2sc3c(cccc3)c2Cl)C(=O)c4cc(C#N)ccc4	864
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(CCC(OC)=O)n2)Cl)OC	1108
+c12cc3c(cc1nc(cc2)CO)CC4(c5cccnc5NC4=O)C3	453
+C(OCCOCC)Cn1ccc2c3c(C(NC3=O)=O)c(cc12)-c4ccccc4Cl	3633
+c1cc(ccc1)COCN2C(=O)C(C)=C(c3ccc(cc3C)Oc4ncnc5ccsc45)N(C)C2=O	10600
+c12cnc(C#N)cc1c3c([nH]2)ncc(c3)Br	331
+c12cnc(CO)cc1c3c([nH]2)ncc(c3)Br	629
+c12cnc(cc1c3c([nH]2)ncc(c3)Br)C(=O)O	1
+c1c2c(cnc1O)[nH]c3c2cc(cn3)F	104
+c12cc(ncc1cccc2)C(C)O	1394
+c12cnc(cc1n(CC)cc2Br)C(=O)O	1
+c1cc(ccc1C(NC(Cn2c3c(c(ccc3nc2)F)Cl)=O)C)C(C)(C)C#N	2458
+c1cc(ccc1CC(OC)=O)CNCCCn2c3c4ccccc4nc(N)c3nc2CCCC	42
+c1cc(ccc1)C#CCOCCn2c(CCOC)nc3cnc4c(cccc4)c23	121
+n1(Cc2c3c(cccc3)ccc2)c(C(=O)OCC)c(CN)c4cc(F)ccc14	5003
+c1c(I)cc(c(Nc2c(C(=O)OC)ccc3cncn23)c1)F	3783
+C1(NC(=O)c2c1c(cc3n(c(CO)cc23)CCCOC)-c4ccccc4Cl)=O	453
+c1ccccc1-c2c3nc(C(=O)OCC)cn3cc(c2)Br	1805
+c1ccccc1C=C2CCCc3c2nc(c(c3)C(=O)OCC)C	10601
+c1(C)nc2c(cc(cc2N)Br)n1C	13
+C(C)(c1cc2c(nc1Cl)c(F)ccc2)O	652
+c1(c(O)nc2c(cc(OC)c(OC)c2)c1)C(O)=O	1
+C1COCCN1c2ccc(cc2)Nc3nc4c(c(n[nH]4)SC)c(n3)OCC	55
+c1ccccc1COC(NCC2CN(CCC2)CCN3c4cc(OC)cnc4C=CC3=O)=O	61
+c1cc(ccc1)C(N2c3cc(I)cnc3NCC2)=O	4593
+c12ccccc1cc(cn2)CO	269
+s1c2c(nccc2Cl)cc1-c3ccc(CN4CCCC4=O)cn3	4838
+n1(c2ncccc2nc1)Cc3ccc4nc(SC)sc4c3	5023
+c1ccccc1-c2c(Cl)nc3c(nccc3)n2	696
+s1c2cc(ccc2cc1CO)Oc3sc4c(nccc4)n3	10602
+c12nn(C)cc1c(ccc2)C3C(C=O)C3	24
+c12nn(C)cc1c(ccc2)C3C(CN)C3	10603
+c12nnc3CCCCc3c1c(N)c(C(O)=O)s2	1
+c1ccccc1-n2nncc2COc3c4c(cc(OC)c3)oc(-c5cn6c(n5)sc(n6)OC)c4	10604
+c1cc(ccc1)COc2cc(ccc2)COc3c4c(oc(-c5cn6c(n5)sc(n6)OC)c4)cc(OC)c3	657
+c1cc(ccc1)-c2scc(n2)COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC	1963
+c1nc(ncc1)-c2cccc(COc3c4c(oc(-c5cn6c(n5)sc(n6)OC)c4)cc(OC)c3)c2	657
+c1ccccc1CC(NC(=O)Cc2c3c(ccc(O)c3)[nH]c2)c4n(Cc5ccccc5OC)ccn4	9
+C(OCCCc1c[nH]c2c1c(C)c(cc2)[N+]([O-])=O)C	21
+c1[nH]c2c(c1CCCO)cc([N+]([O-])=O)cc2	44
+c1[nH]c2c(c1CCCO)c(c(N)cc2)C	0
+c1cc(ccc1C)S(=O)(=O)OCCCc2c[nH]c3ccc(cc23)F	36
+c1[nH]c2c(c1CCNC(C)=O)cc(N)cc2	0
+c1[nH]c2c(cc(C#N)cc2)c1CC(=O)O	4
+c1cc(ccc1C)S(=O)(=O)OCCCCc2c3c(ccc(C#N)c3)[nH]c2	36
+c1[nH]c2c(c1CN(C)C=O)ccc(C)c2	10605
+c1ccccc1COC(c2c3c([nH]c2)cccc3)=O	470
+C1(c2c[nH]c3c2cccc3)(CCc4cc(ccc14)F)CC	1263
+c1ccc(C(c2c3ccccc3[nH]c2)=O)cc1[N+]([O-])=O	787
+c1cc(ccc1-n2ccc3ccccc23)OC	2787
+c1cc(ccc1C(c2c[nH]c3c2cccc3)=O)OC	787
+c1cc(ccc1)-c2nc3c(c(-n4ccc5ccccc45)c2)cccc3	5004
+c1c2c(-c3ccnc(n3)Cl)c[nH]c2ccc1	4678
+c1[nH]c2cnc(cc2c1CCC(=O)O)-n3ncnc3	3
+c1[nH]cc(c1-c2c(c(Cl)ccc2)Cl)C(N)=S	2547
+c1n(cc(-c2ccccc2Cl)c1C(=O)O)-c3ccnc(Cl)c3	6
+n1sc(c(C(=O)O)c1-c2cc(C)ccc2)C(=O)OC	1
+c1c(-c2cc(CO)ccc2)csc1	59
+c1c(-c2cc(F)c(cc2)C#N)nc(N)nc1N3CC(C(=O)Nc4cccc(c4)F)CCC3	33
+n1coc(-c2cc(cc(-c3ocnc3)c2)N)c1	0
+c1c(-c2cc3nc(C)c(C(=O)C(OC)=O)c(Cl)n3n2)cc4CCCCc4c1	10606
+c1c(-c2cc3n(c(Cl)c(c(C)n3)C(O)C(=O)OC)n2)cc4CCCCc4c1	10607
+c1c(-c2cc3n(c(Cl)c(c(C)n3)C(O)C(=O)OC)n2)cc4CCCCc4c1	4612
+c1c(-c2ccc3OCOc3c2)ccc4C5C(=O)N(c6ncccc6)N=C5CCc14	2472
+C1CCNCC1c2cc(C)c(cc2C)N	1446
+c1c(-c2cncc(c2C(O)=O)Nc3ccc(I)cc3F)c(ccc1)Cl	1
+c1(-c2ccc(c(OCC)c2)OCC)onc(n1)-c3c4CCNc4ccc3	931
+c1cc(C(=O)OC)cc2OCC(NCc12)C	2983
+c1cc(Cl)c(Br)cc1CO	217
+C1CN(CCC1(C#Cc2ccc(F)c(C#N)c2F)O)C(=O)Cc3ccc(cc3)-n4nnnc4	197
+c1cc(ccc1)Oc2c(cc(cc2)C#N)Br	46
+C(C)c1ccc(F)c(Br)c1	165
+c1c(C(=O)O)cc(F)c(OC)c1Br	1
+C(C)N(CC)C(=O)c1ccc(cc1)C(O)c2ccccc2OC	257
+c1c(Br)c(Oc2cc(ccc2N)C#N)ccc1	0
+c1ccccc1CSc2cccc(c2C)Br	607
+c1c(Br)c(c(cc1-c2nc(C(OCC)=O)on2)Br)OCc3ccc(cc3)OC	139
+c1(cc(cc(Br)c1Oc2cc(C(C)C)c(cc2)O)CO)Br	49
+c1(cc(cc(Br)c1Oc2cc(c(c(c2)C=Cc3ccccc3)O)C(C)C)CC(O)C(OC)=O)Br	914
+c1c(Br)c(c(cc1CC(O)C(OC)=O)Br)Oc2cc(C(C)C)c(c(I)c2)O	5
+c1c(Br)c(c(cc1CP(O)(O)=O)Br)Oc2cc(C(C)C)c(cc2)O	228
+c1ccccc1CSc2c(OC)c(cc(F)c2)Br	607
+O(c1cc2N(c3c(Cl)cccc3)C(=O)CCc2c(c1)Br)C	2331
+c1c(Br)c(cc(O)c1F)CC(=O)O	5
+c1c(Br)c(ccc1)OC(C(=O)O)CCC	3
+c1(Br)ccc(c(N)c1)NC(CCCCCCC(=O)OC)=O	0
+Brc1cc(cc(Br)c1)NC(=S)NC(=O)c2ccccc2	865
+c1c(Br)cc2CC(N)COc2c1	157
+c1c(Br)cc2CCC(N)Cc2c1	733
+c1cc(ccc1C#N)-c2ccc3c(CCC(C3)=O)c2	11
+c1c(Br)cc2CCCNCc2c1	15
+c1ccccc1COC(NC2Cc3c(cc(cc3)Br)CC2)=O	101
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(C(c5ccc6cc(C(NC)=O)ccc6c5)O)nc4	5030
+c1cc(ccc1S(=O)(=O)n2cnc(c2)C(O)c3cc4ccc(C(NC)=O)cc4cc3)C	5030
+c1c(Br)ccc2cc(C#N)ccc12	274
+c1cc(ccc1-c2cc3c(cc2)cc(OC)cc3)OC	10608
+C(=O)(O)C(Oc1ccc2ccc(cc2c1)Br)CC	4
+c1c(Br)nc(cc1)C(CCCC)=O	955
+c1cccn1-c2nc(ccc2)C(Nc3c(C(N)=O)nn(C)c3)=O	10609
+O=C1c2c(C(=O)N1CCC#Cc3cccc(n3)CF)cccc2	769
+c1cc(ccc1)C(NC(Nc2cccc(n2)Br)=S)=O	1780
+c1cc(ccc1C#Cc2cccc(N)n2)C(OCC)=O	943
+c1c(Br)nc(cc1NC(N)=S)Br	401
+Nc1sc2c(cc(nc2Br)Br)n1	3928
+c1cc(ccc1S(=O)(=O)c2cc(Br)nc(c2)Br)N	0
+c1cc(ccc1)C#Cc2cnc(cn2)Br	5031
+c1(cc(C#N)c(C)cc1N)O	0
+N#CC1CN(c2ncnc3cc(Cl)c(cc23)C#N)CCN1C(C=C)=O	143
+Nc1cc(C(=O)OC)c(cc1C#N)C	0
+c1cc(ccc1Cl)Oc2cc(C#N)ccc2	46
+C=1(C(=O)O)CCCC=1c2cc(ccc2)C#N	127
+c1cnccc1COc2cccc(c2)C#N	139
+c1ccc(OCc2nc3c(cccc3)cc2)cc1COc4cc(ccc4)C#N	139
+c1c(C#N)nc2c(c1)cc(N)cc2	0
+c1c(C(=O)C)c(O)c(c(c1Cl)OCCOCCOc2c(C(C)=O)ccc(OCC(=O)O)c2CCC)CCC	3
+c1cc(ccc1)COc2cc(cc(OCc3ccccc3)c2)C(=O)CC(=O)c4ccc(cc4O)O	10610
+c1c(NC(c2cc(ccc2)C#N)=O)c(ccc1)[N+]([O-])=O	50
+c1(c2c(c(C)cc(c2)Br)nc(-c3cnccc3)n1)O	4845
+c1c(CO)c(c(cc1)O)C	49
+c1ccccc1COc2cccc(c2C)C(O)=O	22
+c1c(cc(cc1CO)Br)O	611
+c1(C(=O)O)cc(N)cc(N2CCCC2=O)c1	0
+c1ccccc1CNC(=O)c2ccc(C)c(NC(=O)c3cc4c(nc3O)cc(c(OC)c4)OC)c2	14
+Oc1c(cccc1)NC(c2ccc(C)c(c2)OC)=O	67
+n1cc(cc(NC(c2cc(OC)c(C)cc2)=O)c1)Br	487
+c1c2c(nc(-c3ccc(O)c(c3)OC)o2)ccc1	1328
+c1(CO)cccc(-c2c3c(ccc2N)cccc3)c1	49
+O=C1Nc2nc(ccc2SC1)CO	629
+c1c(OC)c2ccsc2c(F)c1	1539
+c1c(C(=O)OC)c(c(c2n1c(cn2)CC)F)Nc3c(F)cc(C)cc3	10611
+CC(=O)c1c2c(n(c1CCC)Cc3ccccc3Cl)cc(C(=O)O)cc2	1
+c1c(c(ccc1)OC)-c2ccc(cc2C)C(=O)O	1
+S(C)CCCc1cc(CO)nc(c1)C(=O)OC	398
+c1cc(ccc1)OC(c2nnc(cc2)C(=O)OC)C	20
+c1c(C(=O)OC)nnc(O)c1	104
+c1c(C(=O)O)sc2c(F)ccc(OC)c12	1
+c1cc(ccc1)COc2cc(nc(c2)CO)C(=O)OCC	194
+c1c(C(=O)OC)nnc(C(C)O)c1	1394
+c1(ccc(N)c(N)c1)C(C)C(=O)OCC	0
+c1c(C(C2CC2C(=O)O)=O)cc(c3OCCCc13)Cl	4
+c1(O)c([N+]([O-])=O)cc(C(CBr)=O)cc1O	5
+c1c(C(CCCCCl)=O)cc(N)c2OCCc12	0
+c1(cccc(c1)F)C(=O)Nc2ccc(F)c(C(c3ccc4c(c3)nccn4)=O)c2	50
+c1cc(ccc1F)NC(=O)c2ccc(Br)nc2	971
+O(C(=O)CCCc1ccccc1NC(c2ccc(Cl)c(Br)c2)=O)C	50
+O(C)c1ccccc1NC(c2ccc(Cl)c(Br)c2)=O	50
+c1cc(ccc1)-c2cc3c(c(c2)Cl)[nH]c(C(NCc4sccc4)=O)c3	11
+c12c(cccc1)cccc2Cc3cc(ccc3OC)Br	452
+c1(Cl)cccc(Cl)c1NC(=S)Nc2c(cnc(c2)C(OC)=O)N	773
+C1(N)=C(c2cc(C)c(C)cc2N(C)C1=O)c3ccccc3Cl	10612
+c1c(C)c(c(cc1)C)-c2cc(COc3ccc4c(ccn4CC(=O)O)c3)ccc2	3
+c1c(C)c(c(cc1)C)-c2nc(O)c(c(C)n2)COc3c(C)ccc(c3)C(C)C	104
+c1c(C)c(c(cc1)C)-c2nc(COc3cc4CC5C(C5c4cn3)C(O)=O)c(F)cc2	3
+c1c(C)c(c(cc1)C)COc2cccc(C(C(=O)O)CC)c2	3
+c1c(C)c(c(cc1)C)COc2c(F)ccc(C(O)=O)c2	6
+c1c(C)c(c(cc1)C)COc2cccc(C(C(O)=O)C)c2	3
+c1cc(ccc1)COC(=O)CN(CC2CCCCC2)C(=O)c3cc4c(cc3NC(=O)Nc5c(cccc5C)C)cccc4	124
+c1cc(ccc1C(c2cc(C)c(c(c2)C)O)=O)[N+](=O)[O-]	222
+c1c(C)c(c(cc1)C)Oc2c(cc3nc(nc(c3c2)N)-n4ncc(C(=O)O)c4)F	6
+c1(C)cc(cc(C)c1O)-c2[nH]c3c(cccc3)c2C	5
+c1ccccc1COC(=O)c2ccc(cc2)-c3cc(C)c(c(c3)C)OCCO	470
+c1c(C)c(c(cc1-c2nc3c(cc(cc3)N)c(O)n2)C)O	0
+C(O)C(CO)COc1c(C)cc(cc1C)-c2nc(on2)-c3sc(C)c4C5C(Cc34)C5(C)C	1192
+Cc1cc(cc(C)c1O)-c2nc3cnc(nc3o2)Cl	5
+c1c(C)c(c(cc1Br)C)OCc2ccccc2	22
+Cc1cc(cc(C)c1OC)CO	98
+c1(cc(cc(C)c1OCC(=O)O)C(c2sccc2)=O)C	3
+c1cc(ccc1OP(c2ccccc2)(=O)C(c3c(cc(cc3C)C)C)=O)OC	10613
+Cc1cc(cc(C)c1C2=C(O)C3(CCN(CC3)OCC)NC2=O)C	997
+c1(cc(cc(C)c1N=C2N(C(N(C)C(=C2)c3ccc(O)c(OC)c3)=O)C)C)C	5
+c1c(C)c(c(cc1C)C)NC(Nc2cc(-c3cc(c(cc3)OC)F)ccc2C(NC(C(=O)O)C4CCCCC4)=O)=O	4
+Cc1cc(cc(C)c1Nc2sc3c(n2)cccc3CO)C	2705
+Cc1cc(cc(C)c1Oc2c(c(NC(CC)CC)cc(C)n2)N)C	13
+c1ccccc1-c2cc(C(=O)CCc3cc(C)c(c(C)c3)O)sc2C	5032
+c1cc(ccc1)-c2cc(C(=O)CCc3cc(C)c(c(C)c3)O)sc2CC	5032
+O=S(=O)(C)c1ccc2C(N(c3ccc(cc3)C(CC)C)C(=Nc2c1)c4cc(C)c(c(C)c4)OCCO)=O	10614
+CC(C)(C(=O)OC)Cc1cc(C)c(c(C)c1)-c2[nH]c3ccc(cc3n2)-c4oc(-c5ccccc5C)nn4	10615
+c1c(C)c(c(cc1CC(C)(C)C(=O)OC)C)C=O	494
+c1c(C)c(c(cc1CC(C)(C)C(=O)OC)C)-c2[nH]c3c(cc(cc3)C(O)=O)n2	622
+c1(cc(cc(C)c1Cc2ccc(c(c2)C(C)C)OCOC)C=O)C	39
+c1(C)cc(cc(C)c1-c2csc(n2)N)N	106
+Cc1cc(cc(C)c1C=O)OCc2ccccc2	22
+c1(cc(cc(C)c1-c2cc(COc3ccc(cc3)C=CC(=O)OC)ccc2)OCCOCC)C	20
+C1CCC(C1)CC(=O)Nc2c(C)cc(cc2C)N	0
+c1(cc(cc(C)c1NC(=O)OCCC)N)C	0
+c1cc(ccc1)C(=O)COc2ccc(cc2C)CC(N)=O	702
+c1(C=O)cc(C)c(cc1)[N+]([O-])=O	39
+C(=O)(CN1c2nccc(C)c2-n3c(ccc3)C1=O)O	4
+C1C(CC1)(C(=O)N2CCC(Nc3cc(c4cc(OC)ccc4n3)C)C2)c5ccc(cc5)Cl	10
+Clc1cc([N+]([O-])=O)cc(C)c1	480
+c1cc(ccc1S(=O)(=O)Nc2cc(cc([N+](=O)[O-])c2N)C)C	69
+c1cc(ccc1)C#Cc2c(N)c([N+](=O)[O-])cc(C)c2	129
+c1c(c2C(c3c(cccc3C)-c2cc1C)=O)C	358
+c1c(C)cc(cc1CC(N2CCC2(C)C(=O)O)=O)C	3
+c1(C)cc(cc(C)c1)CC(N2CCC2(C)C(N(Cc3ccc(cc3)C)C)=O)=O	10
+Cc1cc(cc(C)c1)-c2c(nc3cc(c(cc3c2O)[N+](=O)[O-])Cl)O	4781
+Cc1cc(cc(C)c1)Nc2c(c(ccc2)C#N)N	0
+c1c(C)cc(cc1OCC(C)N)C	733
+c1c(C)ccc(-c2c(Cl)ccc(N)c2)n1	0
+n1cc(cnc1C)C(NC(=O)c2cc(-c3ncc(C)cc3)cc(OC)c2)C	14
+c1c(C)ccc(-c2cc(OC)cc(C(=O)O)c2)n1	1
+c1c(C)ccc(-c2cc(cc(C(=O)O)c2)Br)n1	1
+c1cc(ccc1)-c2ccc(C)cn2	119
+c1cc(ccc1Cl)Oc2ncc(cc2)C	1237
+c1c(C)nc(-c2nn3c(c2-c4c5ccc(C(=O)O)cc5ncc4)CCC3)cc1	6
+c1c(C)nc(-c2nn3c(c2-c4cc5n(CCCO)cnc5cc4)CCC3)cc1	168
+c12c(cccc1)C(=O)N(C2=O)CCc3cccc(C)n3	332
+c1cc(ccc1F)C(Cc2nc(ccc2)Cl)=O	1501
+n1c(C)cccc1-c2cc(OCC)cc(C)n2	174
+n1c(C)cccc1-c2cc(OCCO)cc(C)n2	174
+c1ccccc1-c2cc(nc3cc(C)nn23)N	2057
+c1ccccc1CN2C(N(CC2)c3sc(c(n3)C)C(=O)NCc4ccc(C)o4)=O	454
+c1c(C)oc(c1)CNc2ccc3c(cccc3CO)n2	41
+c1c(C)oc(c1)CNc2ccc3c(cccc3CN)n2	107
+c1cc(ccc1C(NCc2c3c(nc(cc3)NCc4oc(C)cc4)ccc2)=O)F	93
+c1c2c(C(c3c(O)cc4c(CCO4)c3)C(N2CCCCC)=O)ccc1	462
+Nc1cccnc1Nc2cc(ccc2)C=Cc3cnccc3	13
+c1cc(ccc1OCc2cc(O)ccc2)CC(C#N)C(OC)=O	22
+c1c(c([N+]([O-])=O)c(F)cc1)CC(=O)O	4
+C1(Nc2cc(ccc2OC1)CC(OC)=O)=O	1290
+c1(ccccc1F)-c2c(cccc2)CC(=O)O	3
+c1ccccc1Oc2cccc(c2[N+](=O)[O-])CC(=O)OCC	415
+c1c(c(c(N)cc1)Br)CC	0
+O=C(O)c1cccc(c1O)CC=2C(=O)C(OC)=C(C(=O)C=2C)OC	173
+c1cc(ccc1NC(CCc2cc3c(OCO3)cc2)=O)C(=O)OC	33
+c1c(CCC(=O)O)c2c(cc1)COB2O	3
+c1c(OCC)c(ccc1)-c2nc(O)c3nccc(CCC)c3n2	10616
+c1cc(ccc1C#Cc2cc(CCCC#N)c(F)cc2)OC(F)F	129
+Nc1c(cc(CO)cc1CCCC)F	98
+c1c(c([N+]([O-])=O)ccc1)CCN	18
+c1cc(ccc1C)S(=O)(=O)OCCc2cccc(C)c2[N+]([O-])=O	36
+c1cc(ccc1OC)C(c2ccc(cc2)OC)(OCc3cc(cc(CN=[N+]=[N-])c3)CF)c4ccccc4	604
+c1c(c(c(N)cc1)C)CNCC	0
+O=Cc1c(F)c(I)ccc1	39
+c1ccccc1-c2cccc(CO)c2C	11
+C(COc1c(Cl)cccc1C=O)C	39
+c1cc(ccc1)N(c2ccccc2)C(=O)OCc3c(Cl)c(OCC(=O)OC)ccc3	2469
+c1cc(ccc1)CN(CC(=O)c2ccc(c(CO)c2)O)CCCCCCOCCCCCCc3ccccn3	676
+c1ccccc1CN(CCCCCCOCCCc2ccccn2)CC(c3ccc(O)c(CO)c3)=O	676
+c1cc(ccc1S(=O)(=O)OCc2cc(c(F)cc2)Cl)C	36
+O(c1cccc(CO)c1)c2ncc(C)cc2	1605
+c1(nc2c(cn1)cccc2)COc3cc(CO)ccc3	2818
+c1cc(ccc1COc2ccc(c(COCOC)c2)Br)C#N	22
+c1cc(ccc1)CNc2c(O)nc3c(c(NC(C)CO)nc(n3)SCc4c(c(F)ccc4)F)n2	10617
+c1c(Cc2cccc(c2)C(O)=O)cc(F)cc1	1
+c1ccccc1-c2n3ccccc3c(C(=O)OC)c2Cc4cccc(F)c4C	10618
+c1cc(ccc1OC)COc2c3c(ncnc3ccc2)Nc4cc(c(OCc5cc(F)ccc5)cc4)Cl	1111
+Nc1c(N)c(Br)c(c(Cl)c1)Cl	0
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4ccc5OC(=CC(c5c4)=O)C(O)=O	108
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4cc5c(cc4)c(ccn5)C(=O)O	1
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4ccc5c(c4)cc(C(O)=O)cc5	1
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)Sc4cccc5sc(cc45)C(=O)O	1
+c1c(Cl)c(c(cc1)Cl)-c2c(c(on2)C(C)C)COc3cc4ccc(cc4cc3)-c5ccc(C(O)=O)cn5	1
+Clc1cccc(Cl)c1C(NC(Cc2cc3c(nc(cc3)-c4c(cccc4Cl)Cl)cc2)C(O)=O)=O	4
+c1(cccc(Cl)c1-n2ncc(C(C)C)c2C(O)=O)Cl	1
+c1c(Cl)c(c(cc1)Cl)C(=O)Nc2ccc(cc2)CC(C(OC)=O)NC(c3c(cccc3Cl)C)=S	50
+c1(Cl)cccc(Cl)c1C(=O)NC(Cc2ccc(cc2)O)C(OC)=O	946
+c1nc(ncc1NC(c2c(cccc2Cl)Cl)=O)Nc3cnccc3	3097
+c1c(Cl)c(c(cc1)Cl)C(=O)Nc2ccc(cc2)CC(NC(=S)c3c(C)cccc3Cl)C(=O)O	4
+c1cc(ccc1NC(=O)c2c(cccc2Cl)Cl)CC(NC(=S)C3(CCCC3)CCCCS(=O)(=O)C)C(=O)O	4
+c1c(Cl)c(c(cc1)Cl)Cc2n(Cc3ccc(cc3)C(=O)OC)c4ccccc4n2	505
+c1c(Cl)c(c(cc1)Cl)Cc2n(Cc3ccc(cc3)C(O)=O)c4ccccc4n2	1
+CC(C)c1onc(Cc2c(cccc2Cl)Cl)c1COC	1043
+c1cc(ccc1)OC(Nc2ccc3c(n(Cc4c(cccc4Cl)Cl)cc3)c2)=O	90
+c1cc(ccc1Nc2nc3-n4c(N(C(=O)c3cn2)c5c(cccc5Cl)Cl)ncc4)C(O)=O	1
+c1ccccc1NC(c2ccc3nc([nH]c3c2)Nc4c(cccc4Cl)Cl)=O	1701
+c1c(Cl)c(c(cc1)Cl)NC(=O)Nc2cc3ccccc3cc2C(=O)N(CCC(=O)O)Cc4ccccc4	3
+c1c(Cl)c(c(cc1)Cl)S(=O)(=O)N(C)CCCCC(=O)O	3
+c1c(Cl)c(c(cc1)Cl)SCc2noc(C(C)C)c2CO	88
+Clc1cccc(Cl)c1SCc2noc(c2COc3ccc(cc3)-c4ccc5c(ccc(n5)C(=O)OCC)c4)C(C)C	20
+c1(cc(cc(Cl)c1C(=O)O)-c2nnn[nH]2)Cl	1
+c1cc(ccc1-c2cc(Cl)c(c(c2)Cl)CN3CCC4(CCCCC4)C3=O)F	11
+c1(cncc(F)c1NC(c2c(Cl)cc(cc2Cl)C#N)=O)F	50
+c1(cc(cc(Cl)c1)C(=O)C)Cl	480
+c1(Cl)cc(cc(Cl)c1N)C(CN(Cc2ccccc2)CCCOCCOCCCOc3ccccc3)O	4754
+c1(Cl)cc(cc(Cl)c1OCCCCCCCCCCCC)C(=O)O	1
+c1c(Cl)c(c(cc1-c2oc(nn2)C(=O)OCC)Cl)O	10619
+c1cc(ccc1CC(C#N)c2ccc(cc2)Br)OCCOc3c(cc(cc3Cl)C)Cl	10620
+c1c(Cl)c(c(cc1CCO)Cl)O	95
+c1(Cl)cc(cc(Cl)c1Oc2cc3c(C(C)C)c[nH]c3cc2)CBr	10621
+c1(Cl)cc(cc(Cl)c1CCC=O)Cl	378
+Clc1cc(cc(Cl)c1C2CC2)N=C=S	1034
+c1(Cl)cc(cc(Cl)c1C=O)OCc2ccccc2	22
+c1cc(ccc1C2(OCCO2)CCCOc3c(cc(cc3Cl)OCC=C(Cl)Cl)Cl)F	72
+Clc1cc(cc(Cl)c1C#N)N	0
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)[N+]([O-])=O	815
+O=S(=O)(c1cc(ccc1O)Oc2c(cc(cc2Cl)N)Cl)CC3CC3	0
+C1CCC1NS(=O)(=O)c2c(ccc(c2)Oc3c(cc(cc3Cl)N)Cl)O	0
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(c(c2)C(C)C)O	5
+O=S(=O)(c1ccc(cc1)F)c2c(O)ccc(Oc3c(cc(cc3Cl)N)Cl)c2	0
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2cc(c(cc2)O)S(=O)(=O)CC3CC3	5
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2cc(c(cc2)O)S(=O)(=O)NC3CCC3	5
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(O)c(S(=O)(=O)c3ccc(cc3)F)c2	5
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(c(c2)S(=O)(=O)c3ccc(cc3)F)OC	2290
+c1c(Cl)c(c(cn1)Cl)C#N	274
+c1cc(ccc1COc2c(cc(C(=O)OC)c(O)c2)Cl)OC	139
+c1c(Cl)c(C2=C(N=C3N(C(C)=CS3)C2=O)C(N)C)ccc1	1426
+c1cc(ccc1)COc2c(Oc3c(Cl)cc(Cl)cc3)cc(Br)c(Cl)c2	22
+c1cc(c(c2c1NC(C2=O)=O)Cl)C(=O)O	1418
+c1cc(ccc1)OC(=O)Nc2c3cc(ccc3c(Cl)cc2Cl)OC(=O)C	90
+Clc1cc(cc(Cl)c1)C#CC(=O)c2cc3c(cc(OC)cc3)nc2	10622
+c1(Cl)cc(cc(Cl)c1)C(O)C2(CCCCC2)N	157
+c1(cc(cc(Cl)c1)C(=O)C=2NC(NC(C=2CC)=O)=O)Cl	3272
+c1c(Cl)cc(cc1CCCO)Cl	21
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)Cl	14
+c1(cc(cc(Cl)c1)NCc2c(ccc(Br)c2)O)Cl	10623
+c1c(Cl)cc(cc1Sc2ccc(N)c(n2)C#N)Cl	13
+c1cc(ccc1[N+](=O)[O-])NC(=O)N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2	326
+C(c1c(C)ccc(Cl)n1)(=O)O	1
+c1c(N)cc(cc1)C(C)Nc2nc(Cl)cnc2	464
+c1cc(ccc1Oc2ncnc(SC)c2)[N+]([O-])=O	185
+c1cc(ccc1Cl)C2c3n(C(C)C)c(nc3C(=O)N2c4nn5c(c(C)c4)nnc5C)C	10624
+c1ccccc1Cc2n(-c3c(cccc3)F)nnc2-c4nc(no4)-c5ccccc5F	10625
+CC(c1c(F)cccc1)O	74
+c1cc(ccc1NC(=O)c2c(cccc2)F)C(=O)OC	50
+c1cc(ccc1Nc2c(c(Cl)nc(C)n2)NC(=O)c3c(cccc3)F)Cl	3097
+c1cc(ccc1C(=O)c2c(cc(cc2)F)F)OC	222
+c1cc(ccc1NC(=O)c2c(F)cc(F)cc2)C(=O)N3Cc4c(Cc5ccccc35)cccc4	50
+c1cc(ccc1F)-c2c(ncnc2N)N3CC(CC3)(N)CNC(=O)c4c(F)cc(cc4)F	537
+c1c(F)c(C(NCC2(CN(c3c(c(ncn3)N)Br)CC2)N)=O)ccc1F	54
+c1c(F)c(F)cc2c1nc(C=Cc3cccc(C(CCc4ccccc4Cl)O)c3)cc2	74
+c1c(F)c(F)cc2c1nc(C=Cc3cc(ccc3)C(CCc4ccccc4Cl)=O)cc2	4578
+c1cc(ccc1-c2ccc3C(=O)N(Cc3c2)C(C(OC)=O)C(C)C)NC(=S)Nc4c(cccc4)F	773
+c1ccccc1CNc2c(F)cc(c(NC)n2)F	182
+c1c(F)c(c(cc1)F)-c2ccc(C(=O)N)c3[nH]c4CC(CCc4c23)C(C)O	100
+c1c(F)c(c(cc1)F)-c2nc3c(cn(S(=O)(=O)c4ccc(cc4)C)c3cc2)I	10626
+c1c(F)c(c(cc1)F)-c2noc(C)c2C(O)=O	1
+Fc1cccc(F)c1-c2c(cc(cc2)F)C#N	11
+Fc1cccc(F)c1-c2nc(ccc2)-c3cc4c(OCc5ccccc5)ccnc4cc3	119
+c1cc(ccc1)Nc2cccc(c2C#N)F	275
+c1c(F)c(c(cc1)F)C(Nc2c(C(O)=O)[nH]nc2)=O	6
+c1(F)cccc(F)c1C(Nc2cn(Cc3c(OCc4ccccc4)cc(cc3)Cl)nc2)=O	309
+c1c(F)c(c(cc1)F)C(Nc2cn[nH]c2-c3nc4c([nH]3)ccc(c4)C=O)=O	39
+c1cc(ccc1-c2cn3c(C(N(C(N3Cc4c(F)cccc4F)=O)c5c(c(ccc5)OC)F)=O)c2C)[N+](=O)[O-]	10627
+c1c(F)c(c(cc1)F)COc2nc(C)cn3c(c(nc23)C)C(O)=O	6
+c1c(F)c(c(cc1)F)N2C=C(C(O)=O)C=CC2=O	127
+c1c(F)c(c(cc1N)F)C2=CCSCC2	10628
+c1c(F)c(c(cc1Br)F)CO	49
+c1c(F)c(c(cc1Br)F)N=C(CC(=O)c2ccc(cc2)F)N	10629
+c1ccccc1COC2CC(Oc3c(cc(cc3F)Br)F)CCC2	20
+c1(cc(cc(F)c1O)C(C)=O)F	5
+Fc1cc(cc(F)c1OCC#C)C(=O)O	1
+Fc1cc(cc(F)c1SC)C#N	1308
+c1(F)cc(cc(F)c1OC(C)C)CO	41
+c1(F)cc(cc(F)c1[N+](=O)[O-])C	4862
+c1cc(ccc1S(=O)(=O)Nc2c(F)cc(cc2F)F)C(=O)OC	69
+c1cc(ccc1S(=O)(=O)n2cc(c3c(ccnc23)Oc4c(cc(cc4F)NC(=O)C)F)Br)C	276
+c1(F)cc(cc(F)c1CC(=O)N2CCC2)OCCC3C(C4CCN(CC4)c5ncc(cn5)CC)C3	20
+Fc1cc(cc(F)c1C#N)O	5
+c1cc(ccn1)Nc2nc(ncc2OC)-c3nn(Cc4c(cc(cc4F)OCC)F)c5c3CCC5	3787
+c1c(F)c(c(cc1OCCC(C)C)F)-c2c(C(O)c3ccc(cc3Cl)F)c(nn2C)C	10630
+C1(=CC(=O)n2c(N1)c(cn2)-c3ncc(C)o3)c4cc(c(F)cc4)OCC	1915
+c1cc(ccc1Cl)-c2nc3c([nH]2)cc(F)c(c3)F	1127
+c1ccccc1Cc2c(C(=O)OC)nnn2-c3ccccc3F	10631
+c1ccccc1COc2c(C#N)ccc(F)c2	57
+c1c(F)c(ccc1F)C(C(C)c2ccc(nc2)C#N)(Cn3ncnc3)O	10632
+c1c(F)c(ccc1F)C(C(C)c2cc(C#N)ncc2)(Cn3ncnc3)O	1303
+c1c(F)c(ccc1F)C(C(C)c2nc(ccc2)C#N)(Cn3ncnc3)O	1304
+c1cnccc1C(c2ccc(cc2F)F)=O	358
+c1(F)cc(cc(F)c1)-c2c(cc(Cl)c(C#N)n2)C(OC)=O	140
+c1c(F)cc(cc1C2NC(COC2)=O)F	467
+C1CC(CCO1)c2cc(F)cc(c2)F	191
+c1(cc(cc(F)c1)C2(SCCCS2)C(c3ccc(cc3)OC(F)F)O)F	3077
+c1cc(ccc1)C2=NC(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4ccccc24)C	207
+c1cnccc1C2NC(=O)C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)c4ccccc24	207
+c1cc(ccc1)C2C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4c(cccc4)O2)CC#C	207
+c1c(F)cc(cc1CC(=O)NC(C(=O)O)C)F	4
+Fc1cc(cc(F)c1)CC(N)C(C2N(Cc3ccc(cc3)OC)Cc4c(cccc4)C2)O	886
+C1CN(CCN1C)c2ccc(c(N)c2)C(Nc3[nH]nc4c3cc(cc4)Cc5cc(F)cc(c5)F)=O	0
+c1cc(Oc2cccc(c2)F)ncc1Br	1237
+c1cc(ccc1C(O)c2cccnc2F)F	2988
+O(c1c(C(=O)O)c(I)ccn1)C	1
+c1cc(ccc1F)-c2ccc(cc2F)CCc3cc4ccccc4cc3	10633
+O=C1c2c(C(=O)N1CCOc3cc(ncc3)Oc4c(cc(Cl)c(c4)Cl)I)cccc2	332
+c1cc(ccc1Br)Sc2c(Cl)cccc2	826
+c1ccccc1-c2ccc(cc2)-c3c4[nH]ccc4cc(c3)[N+]([O-])=O	10634
+c1(F)c(cc(cc1)C#Cc2cc(C#N)cnc2)CO	129
+c1cnc(o1)-c2cc(Cl)c(C)cc2	4776
+c1c(I)cc(cc1Br)O	5
+n1cc(cc(C#N)c1)C#Cc2cc(c(F)cc2)O	129
+c1ccn(c1)-c2cc(cc(Nc3ccc(I)cc3[N+](=O)[O-])c2)NC(C)=O	275
+c1c(I)cc(c(NC2=CC(=O)N(C)C=C2C(=O)O)c1)F	108
+c1c(I)cc(c(NC2=CC(=O)N(C=C2N)C)c1)F	10635
+c1c(I)cc(c(Nc2c(ccc3cncn23)C(=O)O)c1)F	1
+c1c(I)cc(c(Nc2c(F)c3nnsc3cc2C(=O)O)c1)F	1
+c1c(I)cc(c(Nc2c(ncc3cncn23)C(=O)OC)c1)F	5033
+c1c(I)cc(c(Nc2c3cnsc3ccc2C(NOCCO)=O)c1)F	1000
+c1ccccc1COc2c(C=O)ccc(I)c2	22
+c1ccccc1COCCCC2(CC2)S(=O)(=O)NC=3C(Nc4c(F)cc(I)cc4)=C(C(N5CCOC=35)=O)C	4945
+c1c(I)cc(c(c1)NC2=C(C(N3C(OCC3)=C2N)=O)C)F	10636
+c1c(I)cc(c(c1)NC=2C(N)=C3SCCN3C(C=2C)=O)F	10637
+c1ccccc1COC2CC(C2)S(=O)(=O)NC=3C(=C(C(=O)N4CCSC=34)C)Nc5ccc(I)cc5F	10638
+c1cc(ccc1COc2cc(I)cc(Br)c2)OC	139
+c1c(I)cc2c([nH]nc2C=O)c1	2231
+c1([nH]c2c(cccc2)n1)-c3n[nH]c4c3cc(I)cc4	567
+c1ccccc1OCc2cc3c(ccc(c3)I)o2	4701
+Nc1c(N)c(C)c(cc1)[N+]([O-])=O	0
+c1c(N)c(cc(Br)c1Br)N	0
+c1cnccc1SCC(Nc2cccc(c2)-c3n4ncc(C(c5sccc5)=O)c4ncc3)=O	33
+c1ccccc1CNC(Nc2cccc(-c3cnc(N)c(n3)C(=O)NC)c2)=O	406
+c1cc(ccc1)C(=O)NC(Nc2cc(ccc2)-c3nccc(OC)c3)=S	865
+c1ccccc1COC(Nc2cccc(C(O)CO)c2)=O	90
+c1c(N)cc(Cc2n(CC)ccc2)cc1	3156
+c1cc(ccc1Nc2ncnc(Nc3cccc(c3)C)c2)O	73
+c1cc(ccc1OCCCCCCCCCCCCCC)C(=O)Nc2cccc(CO)c2	50
+c1cc(ccc1OCCCCCCCCCCCCCC)CC(=O)Nc2cccc(CO)c2	26
+c1c2c(ccc1OCCCCl)c(Nc3cc([nH]n3)CC(Nc4cccc(c4)F)=O)ncn2	33
+c1nc(ncc1Br)Nc2cc(ccc2)F	55
+c1cc(ccc1)C(=O)N(C)CCC=Cc2cccc(c2)N	1046
+c1(I)cccc(c1)NC(=O)Nc2cccc3c2CC(O)CC3	446
+c1cc(ccc1CC(OCC)=O)Sc2cc(ccc2)N	826
+n1cc(cnc1Cl)C#Cc2cccc(N)c2	1472
+O=S(=O)(Cl)c1ccc(cc1)NC(=O)Nc2cc(C#N)ccc2	124
+C(COc1cccc(C(=O)OC)c1)(Nc2cccc(C#N)c2)=O	33
+c1(C(=O)OC)cc(NC(c2c(cccc2)C)=O)ccc1	50
+O=S(=O)(c1ccc(cc1)-c2ccc(F)cc2F)Nc3cccc(c3)C=C	69
+COc1ccc(Br)c(c1)CNc2nc(ncc2Cl)Nc3cccc(c3)CCCO	55
+c1ccccc1C(=O)Nc2cccc(N3CCc4c(cnc5ccnn45)C3)c2	50
+c1cc(ccc1Nc2cccc(c2)O)[N+](=O)[O-]	275
+c1cc(ccc1[N+]([O-])=O)Oc2cc(ccc2)N	46
+c1c(N)cc(Oc2nnc(cc2)Cl)cc1	1119
+c1(N)nc(ccn1)-c2c(c3cc(ccc3s2)Nc4cccc(OC)c4)C	230
+c1cc(ccc1)C(=O)Nc2c3ccccc3c(S(=O)(=O)Nc4cc(OC)ccc4)cc2	69
+c1cc(ccc1Oc2ncnc(Nc3cccc(OC)c3)c2)[N+]([O-])=O	73
+c1ccccc1CCc2cc3c(cc2)[nH]c4ncc(cc34)Nc5cccc(OC)c5	10639
+n1c(c2occc2nc1Cl)Nc3cc([nH]n3)C(Nc4cccc(OC)c4)=O	187
+c1cc(ccc1F)C(=Nc2cc(OCC)ccc2)N	1748
+c1cc(ccc1C)C(Nc2cccc(OCC)c2)=N	3121
+c1cc(ccc1C=2C(N(C3(CCOCC3)N=2)CC(=O)Nc4ccc(c(F)c4)F)=O)Cl	33
+c1(F)cc(ccc1F)Nc2nc(nc3c2cccc3)-c4cnncc4	10640
+c1(cc(Cl)ncn1)Nc2nc(ccc2)N	349
+c1ccccc1-c2cc(ccc2)CC(Nc3cccc4CCC(Cc34)O)=O	11
+C1C(C(=C2c3cc(F)c(N)cc3CC2(CCCC)C1)Br)=O	106
+Nc1cc(C)c(C(=O)C)c(Cl)c1	106
+c1(cc(Cl)c(F)cc1)NCC	15
+c1cc(N)c(NC(c2cc(ccc2)C#N)=O)cc1	0
+c1ccccc1COc2cccc(NC)c2[N+](=O)[O-]	57
+c1c(ncnc1NC)Nc2c(F)cc(F)cc2	73
+c1cc(ccc1Nc2cc(NC)ncn2)N3CCOCC3	73
+c1cc(N)c(NCc2cnccc2)cc1	0
+c1cc(N2C(Nc3c(OC)cc(c(F)c23)F)=O)c(F)cc1I	10641
+c1ccc(c(Nc2ccccc2C)c1)N	0
+c1c(Nc2c(N)c(OC)cc(F)c2F)c(F)cc(I)c1	0
+c1c(Nc2c3nccn3nc(c2)-c4cccc(c4)C=O)nc(cc1)N5CCCC5C	39
+c1cc(ccc1)Oc2ccc(cc2)Nc3ncnc(Nc4cccc(NC)n4)c3	73
+c1ccccc1C2=C(CN(C(=O)C)CC2)COc3c(C=O)c(ccc3)O	10642
+c1ccccc1S(=O)(=O)Oc2cc3cc[nH]c3c(Br)c2	681
+c1cc(ccc1Cl)Oc2cccc(c2)O	304
+c1cc(ccc1COc2cc(O)ccc2)Cl	22
+c1cc(ccc1CC(=O)c2ccc(O)cc2O)F	214
+c1(ccnc2c1cc(c(OC)c2)OC)Oc3cc4cc(ccc4cc3)O	242
+O=Cc1c(c(OC)c(cc1)O)[N+]([O-])=O	173
+c1cc(ccc1OCCCCc2cc(OC(=O)C)ccc2)CCN3C(OC(c4ccc5OC(C)(C)OCc5c4)C3)=O	8
+C1Cc2c(NC1=O)c(F)cc(c2)O	173
+C1CC1(C(OC)=O)Oc2ccc([N+]([O-])=O)c(F)c2	5017
+c1ccc(OC(Cc2c(C)ccc3c2cccc3)C)c(N)c1	0
+C(c1c(O)c(ccc1OC)C=O)CC	732
+c1c(OC)c(Cl)ccc1CO	98
+c1c(c(Cl)ccc1CC#N)O	5
+Nc1cc(cc(OC)c1N)C#N	0
+c1(O)c([N+]([O-])=O)cc(cc1O)C(=O)C	5
+c1cc2C(C#N)CCCc2c(c1OC)[N+]([O-])=O	4966
+c1(c(cccc1OC)O)C(C)CC	5
+c1c(OC)c(c(cc1)OC)CNC(Nc2nc(ccc2)-c3ccc(cc3)F)=N	10643
+c1c(OC)c(c(cc1-c2c(C(=O)Nc3c(cccc3)-c4ccc(CC(O)=O)s4)cccc2)OC)OC	4
+c1c(OC)c(c(cc1-c2c(C(O)=O)cccc2)OC)OC	1
+COc1cc(cc(OC)c1OC)-c2nc(cs2)C=O	1348
+c1c(OC)c(c(cc1CC=O)OC)OCc2ccccc2	24
+c1c(OC)c(c(cc1Nc2nc(nn3c2c(nc3C)C)-c4cc(N)ccc4)OC)OC	0
+c1ccccc1COc2cc(C#N)ccc2OC	22
+c1c(OC)c(cc(-c2c(C)ccc(n2)C#N)c1)F	10644
+c1cc(ccc1NC(C)=O)C(c2cc3NC(C(=CNc4cc(O)c(cc4)OC)c3cc2)=O)=O	1300
+c1c(OC)c(cc([N+]([O-])=O)c1)-c2cc(CN)ccc2	107
+c1c(ccc(C#N)c1OC)CO	98
+c1c(OC)c(ccc1C(=O)O)Cn2c3cc(C=CC(NCCC)=O)ccc3cc2	1
+c1c(CC=O)ccc(C#N)c1OC	24
+c1c(OC)c(ccc1CNCCNc2cc(OC)cc(Br)c2)OC	15
+c1c(OC)c2oc(CO)cc2c(c1)Br	3155
+c1c(OC)cc(cc1C(c2cc3c(cc[nH]3)cc2)=O)OC	1217
+COc1cc(cc(OC)c1)C(c2cccc(OC)c2)=O	335
+c1cc(ccc1CCC(NCCc2cc(OC)cc(OC)c2)=O)F	9
+c1(cc(cc(OC)c1)CN2C(=C(c3ccccc3)c4c(cccc4)C2=O)C(=O)OC)OC	562
+Fc1cccc(F)c1-c2nc3c(s2)c(OC)cc(c3)OC	2179
+c1cc(ccc1OC)C(c2cc(c(OC)cc2OC)CCC(OC)=O)=O	222
+C(OC(CCc1ccc(cc1F)O)=O)C	5
+c1cc(ccc1OC)C(=O)c2c(OC)cc(c(CCC(OCC)=O)c2)OC	222
+c1cc(ccc1)-n2c(cc(NC(C34C(C(=O)N(Cc5c(OC)cc(OC)cc5)C3)C4)=O)n2)-c6cc(CCC)ccc6	142
+CCOC(=O)c1c2CNC(c3ccccc3-n2cn1)=O	4319
+C1(C(C)C(C(=O)O)CN1)=O	3157
+c1cc(ccc1)CC(=O)NC2C(N(Cc3c(cc(cc3)OC)OC)C2=O)C(=O)OC	952
+C1(CC(NC1)=O)C(=O)O	3157
+c1(cc2cc(OC)ccc2nc1Cl)[N+]([O-])=O	2298
+c1c2c(ccc1O)c(-c3cnccc3)cs2	5
+n1(CC)cc(c2ccc(cc12)O)C#N	5
+c1cc(ccc1-c2c(c3ccc(OC)cc3n2CC)C#N)O	10645
+c1cc(ccc1)Sc2c3c(cc(OC)cc3)ncc2	5026
+c1c(OC)ccc2c(OCC(NNc3nnc(cc3)Cl)=O)ccnc12	355
+c1c(OC)ccc2c(ccnc12)OCc3nnc4n3nc(cc4)Cl	2736
+c1c(OC)ccc2c(c(C(CCO)CCCC)sc12)C	21
+c1cc(ccc1-c2nccnc2NS(=O)(=O)c3ccccc3Cl)Cn4c(C)cc5cc(ccc45)OC	962
+c1c(OC)ccc2c1n(c3CCCC(=O)c23)CC(=O)O	3
+c1cc(ccc1F)C#Cc2c(C#N)c3c(cc(OC)cc3)n2CC	10646
+c1nc2c(ccc(c2)O)s1	5
+c1c(OC)ccc2nc(NC(=O)CO)sc12	948
+C(Sc1nc2cc(OC)ccc2nc1)C=O	24
+c1c(ccc2oc(C(=O)O)cc12)O	5
+c1c2c(sc(C(=O)OC)c2)ccc1O	5
+C1CC(CCN1C(=O)COc2c(cc(cc2)C3=NNC(CC3)=O)Cl)NCC(COc4ccccc4)O	731
+c1(C=O)cc(OCC)c(Cl)cc1	39
+c1(OCC)cc(cc(OCC)c1F)C=O	39
+c1cc(ccc1C(c2ccc(cc2)F)CCCCC(=O)N3CCN(CC3)CCOc4cc(c(OC)cc4)OC)F	28
+c1c(OCCCCl)c(cc(C(C)O)c1)O	74
+c1c(OCCCCl)c(cc(c1)C(=O)C)O	5
+c1cc(cc(I)c1OC=C)CCCO	5034
+c12c(cccc1)C(=O)N(C2=O)OCCOc3c(N)cc(cc3)C#N	1395
+c1c(OCCOC(C)=O)c(cc(N)c1)OC	0
+c1cc(ccc1OC(=CC)C(=O)Nc2ccc(c(c2)OC)OCCOC3CCCCO3)C4CC4	10647
+c1c(OCCOC2OCCCC2)c(cc(N)c1)OC	0
+c1c(OCCn2cc(cn2)N)cccc1OC	209
+Fc1c(cc(Oc2c(O)cccc2)c([N+]([O-])=O)c1)NC(C)=O	5
+c1cc(ccc1)CC(=O)NC(=S)Nc2cc(F)c(Oc3c4sc(cc4ncc3)S(C)=O)cc2	2095
+c1cc(ccc1CCC(OC)=O)OCc2cc(Oc3cc(ccc3)C)ccc2	20
+c1(C(=O)O)cc(Oc2ccc([N+]([O-])=O)cc2Cl)cnc1	1
+c1cc(ccn1)-c2nc(nc(Nc3cc(c(cc3)Oc4cc5cn[nH]c5cc4)F)c2)N	73
+c1cc(ccc1)C(OCCn2ccc3ncnc(c23)Nc4ccc(c(Cl)c4)Oc5cccc6C(NCc56)=O)=O	1190
+c1c(Oc2cccc3c2CNC3=O)c(Cl)cc(N)c1	0
+c1cc(ccc1)C(OCCn2ccc3ncnc(c23)Nc4ccc(c(Cl)c4)Oc5cccc6sncc56)=O	1190
+c1c(Oc2cccc3sncc23)c(cc(c1)Nc4ncnc5ccn(C)c45)Cl	1190
+c1c(Oc2cccc3sncc23)c(Cl)cc(N)c1	0
+c1cc(ccc1F)CC(=O)NC(=S)Nc2cc(c(cc2)Oc3cc(Cl)ncc3)F	2095
+c1cc(ccc1)N2CCN(C2=O)C(Nc3cc(c(Oc4ccc(O)nc4)cc3)F)=O	10648
+c1c(OC)ccc(c1Cl)Oc2nc(SC)nc(NCc3nc4c([nH]3)cccc4)c2	40
+c1cc(ccc1C=O)Sc2ccccc2Br	815
+c1cc(ccc1)Nc2ccccc2SC	230
+c1(c([N+]([O-])=O)cccc1N)C=C	0
+Nc1cc([N+]([O-])=O)cc(c1)Br	0
+C(=O)(OCCCCCCCCOC(C(=C)C)=O)c1cc(cc([N+]([O-])=O)c1)N	0
+Nc1c(C)ccc(C(C)O)c1	0
+c1ccccc1Sc2c(cc(cc2)C)[N+]([O-])=O	825
+c1cc(ccc1F)COc2cc(c([N+]([O-])=O)cc2)F	139
+c1ccccc1COc2cc(c([N+]([O-])=O)cc2)F	22
+c1cc(ccc1)Nc2c(F)c(N)c([N+]([O-])=O)cc2C(=O)OC	275
+c1(c(C)cccc1)Nc2c(c(c([N+]([O-])=O)cc2C(OC)=O)N)F	275
+c1c2c(cc(-n3ccnc3)c1[N+]([O-])=O)NC(=O)C(N2O)=O	431
+c1cc(C=CC(OC)=O)cc(N)c1OC	0
+c1c([N+]([O-])=O)c(ccc1C=CCO)OCOC	2219
+c1cc(ccc1SCC=Cc2cc(c(OCOC)cc2)[N+](=O)[O-])Cl	10649
+Nc1cc(C)cc2CCOc12	0
+n1(c(c(nc1Sc2c(cc(N)cc2)Cl)C)C)CC	0
+c1(N2C=CC(=CC2=O)C)cc(N)cc(c1)C(=O)OC	0
+c1c([N+]([O-])=O)cc(N2CCCCC2=O)cc1C(=O)OC	1525
+Nc1cc(cc(OCC)c1)C(=O)OC	0
+c1c(C#N)cc(N)cc1[N+]([O-])=O	0
+c1c2c(cc(cc2)COc3cc(cc(C(=O)OC)c3)[N+]([O-])=O)ccc1	22
+O=S(=O)(Cc1ccccc1)c2c(ccc([N+](=O)[O-])c2)Cl	10650
+c1c(OCCOC)c(I)cc(N)c1	0
+Nc1sc2c(ccc(N)c2)n1	0
+c1ccccc1C(=O)Nc2nc3c(s2)cc([N+]([O-])=O)cc3	548
+n1c(SC)nccc1-c2c(nn3c2cccc3)-c4cc([N+]([O-])=O)ccc4	4694
+C(C)(c1cccc([N+]([O-])=O)c1)O	74
+c1([N+]([O-])=O)cccc(Cc2n(C)ccc2)c1	10651
+c1c(N)cc(cc1)C(=O)c2cccn2CCCC	0
+n1cc(-c2cc(ccc2)[N+]([O-])=O)nc3ccccc13	4249
+n1(-c2cccc([N+]([O-])=O)c2)ccnc1	1444
+n1ccccc1NCCCO	174
+c1cc(ccc1C)C(Nc2nc(-c3ccccc3OC)cs2)=O	548
+c1c(c(-c2n(C)ncc2Cl)cc(N)c1)OC	0
+O=Cc1csc(-c2c(cc(C)cc2)[N+]([O-])=O)n1	1348
+c1cc(ccc1)OC(c2c(OC)ccc(c2C)F)=O	852
+N(C(N)=O)Cc1c(c(C(=O)O)ccc1)C(O)=O	1
+c1c(OC)c(cc(-c2nnn[nH]2)c1)C(=O)O	1
+c1c(OC)c(cc(c1)C(=O)C)C(=O)O	1
+c1c2ncn(-c3cc(OCc4ccccc4C)c(C(OC)=O)s3)c2ccc1	3080
+c1ccccc1COc2cc3n(nc(c3-c4sc(c(n4)-c5c(cccc5)F)C(=O)OCC)C)cc2	10652
+C1CN(CCN1C(=O)OCc2ccccc2)c3scc(-c4ccccc4F)n3	354
+c1c(c(C)c(NCc2c(F)ccc(c2)-c3cc(ccc3)F)c(F)c1)O	162
+c1c(CCO)c(C)c([N+]([O-])=O)cc1	21
+c1cc(ccc1OC)-c2c(oc(n2)COc3cc(c(OCC(=O)OC)cc3)C)Br	10653
+c1ccc(Cl)c(-c2n(c3c(cccc3)n2)-c4c(cc(cc4)O)C)c1	5
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(c5c4cc(c(C)c5)[N+]([O-])=O)Br	2271
+c1c(c(c(Cl)cc1F)CO)F	41
+c1c(c(CC)c(Br)cc1)CCN	157
+c1c(c(Cl)c(F)cc1)NC	695
+c1(c(Cl)cc(C(Nc2ccccc2C(OC)=O)=O)cc1)OC	67
+c1cc(ccc1CC(=O)OCC(c2ccc(OC)c(Cl)c2)=O)OCc3ccc4ccccc4n3	1231
+c1c(c(Cl)cc(N)c1)OCc2cnccn2	0
+c1c(c(Cl)cc(N)c1)OCc2ncccc2	0
+c1ccccc1COc2c(ccc(c2)CC#N)Cl	22
+O(c1c(Cl)ncc(C(=O)O)c1)C	1
+c1c(c(Cl)ncc1Oc2cccc(N)c2)F	106
+c1(c(ccc(Cl)c1C(=O)O)O)F	5
+c1cc(ccc1NC(c2c(c(OC)ccc2Cl)F)=O)CC(OCC)=O	67
+n1(c2cnccc2c(n1)C(=O)N)CC(=O)N3C4CC4CC3C(NCc5cccc(Cl)c5F)=O	348
+c1c(c(c(C(=O)O)c(C)c1)F)OC	1
+c1c(c(F)cc(N)c1)OCc2cccc(F)c2	0
+c1cc(ccc1C(=O)Oc2ccc(c(c2)F)C#N)OC(C=CC)=O	5035
+c1ccccc1COc2cc(c(C#N)cc2)F	22
+c1c(c(F)ccc1C(=O)O)Oc2ccnc(Cl)c2	1
+n1c(c(-c2nc(NC)ncn2)ccc1)Oc3ccc(c(c3)C(=O)O)F	136
+c1n(nc(I)c1C(=O)O)C2CCCCO2	6
+c1c(c(N)c(C)cc1F)F	4256
+c1(c(N)cc(c(Sc2cccc(C)c2)c1)Cl)N	0
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc([N+]([O-])=O)c3)ccc1F)F	230
+c1cc(ccc1C(=O)c2c(OC)ccc(Br)c2)Nc3c(F)cc(F)cc3	230
+c1cc(ccc1OC)COc2ccc(c(c2)C(c3ccc(Nc4c(F)cc(cc4)F)cc3[N+]([O-])=O)=O)C	230
+c1c(ccc(c1F)NC(Nc2nccs2)=O)Oc3c4cc(C#N)c(OCC5CO5)cc4ncc3	446
+c1cc(ccc1NC(=O)Nc2ccc(Oc3c4c(cc(OCC5OC5)c(C#N)c4)ncc3)cc2F)F	124
+c1cc(ccc1C)S(=O)(=O)OCCc2nnn(c2)-c3cc(C(=O)c4c(cc(Nc5ccc(F)cc5F)cc4)Cl)c(cc3)C	36
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(N)c3)ccc1F)F	0
+c1c(c(Nc2cc(N)c(cc2)C(=O)c3c(C)ccc(OCCCO)c3)ccc1F)F	0
+c1ccccc1COc2c(CC(OC)=O)cc(cc2Br)Br	22
+c12c(Cl)cccc1CCCO2	126
+c1cc(ccc1-c2cc(cc(c2O)[N+]([O-])=O)C(OC)=O)F	11
+Nc1c(O)c(cc(F)c1)-c2cc(C(=O)O)ccc2	0
+[N-]=[N+]=NCc1cccc(c1OC)Br	10654
+c1(c(c(CC=O)ccc1)OC)OC	1292
+O=C(c1c(OC)c(c2c(c1)CCCC2)I)O	1
+c1c(c(O)c(cc1F)O)F	5
+c1c2c(nc(-c3ccc(c(OC)c3)Cc4ccccn4)o2)ccc1	10655
+c1ccccc1OC(Nc2cc(c(cc2OC)C)C)=O	90
+c1c(c(OC)cc2c1N(C(=O)OC2)C)CC=O	1156
+C1CN(CCC1C(=O)c2ccc(cc2)F)CCN(c3ccccc3OC)C(c4cccc(c4)OC)=O	61
+c1c(c(OC)ccc1)N(C(=O)c2cccc(OC)c2)CC=O	24
+c1c(c(OC)ccc1)N(CCO)C(=O)c2cccc(OC)c2	168
+C1(Nc2cccc(c2OC1)CC=C)=O	2729
+c12ccc(cc1cc(CO)o2)-c3noc(-c4ccc(c(OCC)c4)OCC)n3	529
+c1ccc(c(N)c1)OCCF	1599
+c1cc(ccc1C)S(=O)(=O)OCCOc2ccccc2Br	36
+c1c(c(N)c(C(Nc2cccc(c2C)Br)=O)cc1F)F	0
+C1C(=O)Nc2c1cccc2F	1089
+c12NC(Cc1ccc(c2)-c3cc(OCC)ccc3)=O	1089
+c1c(c([N+]([O-])=O)cc(-c2cc(OCC)ccc2)c1)CC(O)=O	4
+c1ccccc1COc2c(cc(c([N+](=O)[O-])c2)Br)F	22
+c12C(CCc1cc(N)c([N+]([O-])=O)c2)=O	106
+c1cc(ccc1S(=O)(=O)OCCc2ccccc2[N+](=O)[O-])C	36
+c1(c(ccc(C)c1C(=O)O)O)F	5
+c1c(c(c(c(F)c1)N)C#N)OC	1497
+c1c(-c2cc(ccc2)F)cc(c(F)c1C)CNc3c(ccc(c3C)O)C	162
+n12c(C)nnc1c(NCc3c(C)cccc3CC)cc(c2)C(=O)OC	2951
+c1c(CCO)c(c(C)cc1)[N+]([O-])=O	21
+c1cc(N)c(c(c1OC)[N+]([O-])=O)CC	0
+c1c(c(c(Cl)cc1)C)Cn2c(nc3c(Br)cc(N)cc23)CF	0
+c1cc(ccc1[N+]([O-])=O)Cc2c(c(ccc2)Cl)Cl	2300
+c1(c(c(ccc1CO)OC)Br)F	41
+c1ccccc1C=C(Cc2cccc(c2C)F)[N+](=O)[O-]	1734
+c1([N+]([O-])=O)cccc(CC)c1N	106
+c1c(Br)c(c(N)cc1C#N)Cl	0
+c1(c(ccc(c1C#N)I)O)F	5
+c1c(c(F)c2cc(C)[nH]c2c1)OC	3345
+c1c(c(c(cc1)OC)C)CCN	157
+C(OC)CCc1cc(cc(c1C)Br)C(=O)OC	374
+O=Cc1cc(c(c(c1)C=CCOC)C)Br	1766
+C1C(C(=C2C(CCCC)(C1)Cc3c(c(ccc23)O)Cl)C)=O	5
+c1(c(c2cc(C)n(c2cc1)C)F)O	5
+c1c(c(cc(-c2noc(C(=O)O)c2)c1)C)OCCc3cc4C(=O)N(c5c(N(c4nc3)CC)nccc5)C	6
+C(C)OC(c1onc(-c2cc(C)c(cc2)O)c1)=O	241
+Oc1c(cc(cc1)C(=O)c2ccccc2Cl)CC	5
+c1(ccc(cc1F)F)C=Nc2cc(Br)c(cc2O)F	457
+O(CC)C(C=C(c1ccc(N)cc1F)C)=O	1191
+c1(c(cc(c(OC)c1)CC)N)OC	0
+c1c(c(cc(c1)-c2nsc3ccc(N)cc23)C)OC	0
+c1c(c(cc(C(=O)O)c1)C#N)OC	1
+O(c1c(cc(cc1)CN)OCC)Cc2ccc(nc2)OC	817
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(CCC(=O)O)n2)Cl)OC	4
+c1c(c(cc(c1)Nc2c3cc(N)c(OCC)cc3ncn2)Cl)OCc4cccc(F)c4	0
+O=Cc1c(Oc2cc(c(Cl)cc2)Cl)ccc(c1)Br	46
+c1c(Br)c(C#N)cc(N)c1N(C(C)CCl)C	0
+c1cccc(-c2c3c(n[nH]2)ccc(-c4[nH]nnn4)c3)c1O	5
+c1cc(ccc1C(=NNc2cc(nc(CC)n2)-c3ccccc3OC)C)N(C)C	1713
+c1cc(ccc1C(C)=NNc2cc(nc(CC)n2)-c3ccccc3OC)C	1713
+c1cc(ccc1)COc2c(cccc2)-c3ccccc3Br	11
+c1cc(ccc1)COC(NC(C)C(=O)Nc2c(cc([N+]([O-])=O)cc2)C(c3ccccc3F)=O)=O	33
+c1(ccccc1C)C(N2c3ccccc3CC2)=O	448
+c1cc(ccc1C(=O)N2CCc3cnc(C)nc3-c4ccccc24)NC(c5c(C)cccc5)=O	50
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3Cc4cccn4Cc5c3ccs5	50
+c1cc(ccc1C(C)C)CN(C(=O)CCc2ccc(cc2)OCc3ccccc3C(OC)=O)CCCOCC	22
+c1cc(ccc1CCC(N(CCC)Cc2ccc(F)cc2F)=O)OCc3ccccc3C(OC)=O	22
+c1cc(ccc1CCCO)OCc2ccccc2C(OC)=O	22
+c1c2-c3c(CCOc2cc(Br)c1)cc(C(N(c4c(Cl)cccc4)C)=O)s3	4609
+c1c(-c2ccc3c(NC(CC(c4sc(cc4)C#N)=N3)=O)c2)c(ccc1)F	10656
+c1c(c(ccc1)F)-c2ncc(OCCO)cc2	95
+c1c(c(ccc1)F)-c2ncc(N)cc2	13
+c1cc(ccc1-c2cccc(OCC)c2)C3N(c4c(F)cccc4)N=C(C3)C(OC)=O	4899
+O=Cc1ccccc1I	39
+N(=[N+]=[N-])Cc1ccccc1I	925
+Oc1nc2c(cc1)cccc2Br	10657
+O=Cc1c(cccc1)Nc2cccc(C)c2C	39
+c1cc(ccc1Cl)OCCNC(CCc2ccccc2OC)=O	9
+O=S(=O)(c1ccc(cc1)C)CCOC(=O)CCc2c(OC)cccc2	27
+C1c2nc(C#N)ccc2C(NCCc3ccccc3OC)CC1	5036
+c1cc(ccc1C)S(=O)(=O)NCCc2ccccc2OC	71
+c1cc(N)c(NC(CCCCCN)=O)cc1	0
+c1c(c(ccc1)[N+]([O-])=O)NC(CCCCCN)=O	18
+c1cc(N)c(NCC)cc1	0
+n1c2nc(nc(O)c2ncc1)-c3cc(ccc3F)Br	10658
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	548
+CC(C)(C#N)c1c(cc(NC(c2cc(c(cc2)OC)OC)=O)cc1)-c3ccc(cc3)C	50
+c1(C=O)cc(c(cc1)-n2cc(nc2)C)OC	1766
+c1cc(ccc1OC)S(=O)(=O)N(Cc2cc(C)ccc2[N+]([O-])=O)C(C(OC)=O)CO	10659
+COc1cccc(-c2noc3cc(ccc23)F)c1	10660
+c1c(c(ccc1F)C2c3nc(nc(c3CC2)NC(C)CCCOc4cc(N)ccc4-n5cnc(C)n5)Cl)F	0
+c1ccccc1COc2ccc(O)c(C(C)=O)c2	22
+c1cc(ccc1C#CCNCc2ccc(OC)cc2OC)[N+](=O)[O-]	121
+c1c(c(Br)nc(c1)C=O)OC	178
+c1cc(ccc1F)-c2nnc(OC)c(OC)c2	519
+c1cc(ccc1)Sc2cc(c3c(CCCC3=O)c2)F	815
+c1c(cc(C)c2Cc3c(cccc3C)-c12)C	394
+Nc1cc(C)cc2c1OC(C)C2	0
+c1cc(ccc1Cl)C(c2c[nH]c3c(CSC)cccc23)(C)C4CC4	1263
+c1cc(ccc1Cl)C(c2cc(c(F)cc2)Cl)c3c[nH]c4c(cccc34)CSC	5037
+c1cc(ccc1C(c2c(cc(cc2)F)C)c3c[nH]c4c3cc(cc4CSC)F)F	5037
+c1cc(CO)c2c(c(C)ccc2)c1OCOC	41
+c1c(cc(CN)c(Cl)c1)Br	162
+O=C(c1cc(n(n1)-c2ccc(cc2C(=O)N3Cc4ccccc4CC3CO)Br)C)O	6
+c1c(cc(CO)cc1F)Br	49
+c1c(cc(c(Nc2c(cc(c(F)c2)-c3cc(C)c(Cl)cc3)OC)c1)C(=O)O)Br	1
+c1c(cc(C(O)c2ccc(OCC)c(F)c2)c(Cl)c1)Br	488
+c1cc(ccc1CNC(c2cc(ccc2F)Br)(CO)C)OC	42
+c1cc(ccc1-c2ccc(s2)C(=O)c3cc(ccc3Cl)Br)F	10661
+c1c(OC)ccc2[nH]c(nc12)-c3c(F)ccc(c3)Br	10662
+c1cc(ccc1-c2cc(c(cc2)F)C(=O)Nc3cccc(OCC(OCC)=O)c3)F	11
+c1c(cc(C(CC)=O)c(F)c1)Br	155
+c1c(cc(c(Cl)c1)Cc2ccc(OCC)c(c2)F)Br	452
+c1c(cc(C(=O)c2cccc(c2)F)c(F)c1OC)C#N	335
+c1c(cc(C)c(CO)c1)Br	98
+c1cc(c(F)cc1-c2cc(c(cc2)C(OC)=O)C)Nc3nc4c(cc(F)cc4)s3	2256
+c1cc(ccc1[N+]([O-])=O)-c2ccc(c(c2)C)C(=O)OC	11
+c1cc(ccc1-c2cccnc2N)Oc3cc(c(cc3)C)C	304
+c1c(cc(C)c(c1)CCOC(=O)Nc2cccc(C#N)c2)Br	589
+c1cc(ccc1-c2cccnc2N)Oc3cc(c(F)cc3)C	304
+c1cc(ccc1Oc2c(cc(F)cc2)C)-c3cccnc3N	754
+c1c(cc(C)c(CO)c1)Br	49
+c1cc(ccc1)Oc2ccc(c(c2)C)C(OCC)=O	304
+c1ccccc1S(=O)(=NC(c2cc(cnc2)C#Cc3ccc(c(c3)C)O)=O)C	129
+C(C(C)[N+]([O-])=O)c1cc(ccc1F)F	3150
+c1cc(c(cc1Br)C=O)Oc2cccc(c2)CC(OC)=O	46
+O(c1ccc(cc1C=O)Br)c2cc(ccc2OC)CC(=O)OCC	46
+c1cc(ccc1OC)Oc2c(cc(cc2)Br)C=O	46
+c1cc(ccc1OCC)-c2sc(cc2)Cc3cc(ccc3F)Br	5038
+s1c(Cc2cc(ccc2F)Br)ccc1-c3cc(ccc3)OCC	5038
+c1ccccc1C(c2cc(Br)ccc2F)O	704
+c1c(I)cc(CO)c(F)c1	41
+c1cc(ccc1-n2ncc3cc(I)ccc23)C(=O)O	5039
+c1cc(ccc1-n2c3c(cc(I)cc3)cn2)Cl	5039
+c1ccccc1COc2ccc(Br)cc2C=O	22
+c1c2c(c(nn2Cc3cc(ccc3)C#N)N)c(cc1)Cl	823
+c1c2c(c(nn2Cc3cc(ccc3)C#N)N)c(cc1)F	823
+c1cc(ccc1F)C(N2Cc3cc(OCc4cc(C#N)ccc4)nn3CC2)=O	10663
+C1CN(CCN1Cc2cccc(C#N)c2)c3ccc(cc3)[N+]([O-])=O	131
+C(c1cc(ccc1)C#N)n2ncc([N+]([O-])=O)c2	309
+CC1(C)Cc2cc(Br)ccc2O1	1658
+c1c(cc2cc([nH]c2c1)-c3c(F)cccc3Cl)Br	10664
+c1c(cc(CC(c2c(Cl)cccc2F)=O)c(c1)[N+]([O-])=O)Br	155
+c1c(cc(cc1)CCCO)C#N	21
+c1cc(ccc1C)S(=O)(=O)OCCCc2cc(Br)ccc2F	36
+c1c(cc(c(Nc2c(cc(c(F)c2)-c3cc(C)c(Cl)cc3)OC)c1)C=O)Br	39
+c1c(Br)cc2CN(C(c2c1)=O)C	10665
+c1ccccc1COc2c(cc(Br)cc2)CO	22
+c1cc(ccc1C(c2ccc(cc2)OC)(c3ccccc3)OCc4cc(C#N)ccc4)OC	604
+c1c(cc(Cc2occ(n2)C(=O)O)cc1)C(=O)C	1
+c1cc(ccc1-c2sc(F)cc2NC(OC(C)c3ccc(F)cc3Cl)=O)-c4ccc(cc4)C5(CC5)C(=O)OCC	2578
+c1cc(ccc1)-c2ccc(c(Cl)c2)C(=O)Nc3cc(CC(OCC)=O)ccc3	11
+c1cc(ccc1)-c2c(Cl)cc(Br)cc2	4665
+C1Cc2c(NC1=O)c(Cl)cc(Br)c2	2440
+c1c(cc(Cl)c(N2C(=O)NCC2)c1)Br	1760
+c1c(cc(c(c1)CC[N+](=O)[O-])Cl)Br	364
+c1cc(OCCCl)c(Cl)cc1Br	267
+c1cc(ccc1C=O)Oc2c(cc(Br)cc2)Cl	46
+c1cc(ccc1C#Cc2c(cc(Br)cc2)F)CCCCC	129
+c1(ccc(Nc2ccccc2[N+]([O-])=O)cc1F)C(OCC)=O	230
+C1N(CC1Oc2cc(ncc2)F)c3ccc(cc3)C(NC(C)=O)C	2009
+Ic1c(C=Cc2c(I)cc(cc2)Br)ccc(Br)c1	1521
+c1ccccc1C(Nc2c(ccc(Br)c2)C(=O)OC)=O	50
+c1cc(ccc1)-c2c(cc(cc2)Br)N	134
+c1c(cc(c(c1)CCOC(=O)Nc2cccc(C#N)c2)CC)Br	589
+c1c(cc(c(CO)c1)O)Br	49
+O=Cc1ccc(N2C=Cc3c(C2=O)ccc(OC)c3)cc1OC	2333
+c1cc(ccc1)COc2c3c(n(nc3Nc4cc(c(cc4)Cl)SC)C5C(CCOC5)C#N)ccn2	781
+c1c(cc(N)c(C(=O)OC)c1)Br	0
+c1cc(ccc1-c2ccc(F)cc2[N+](=O)[O-])F	667
+c1(N)cc(ccc1NC(C)CO)Br	0
+c1cc(ccc1)CNc2ccc(-c3oc4ccccc4n3)cc2[N+](=O)[O-]	60
+c1c(cc(N)c(c1)O)Br	0
+c1ccccc1COc2c(cc(F)cc2)[N+](=O)[O-]	22
+[N+](c1cc(CO)cc(Br)c1)([O-])=O	49
+c1c(cc2OCCCNC(c2c1)=O)Br	513
+c1ccccc1-c2ccc(C)c(C#N)c2	11
+c1(cc(ccc1C)Br)C=CCCOC	2053
+c1c(cc(CO)c(CBr)c1)Br	49
+c1c(cc(c(CBr)c1)C(=O)O)Br	1
+c1cc(ccc1-c2cc(ccc2F)OC)C3Oc4c(CC3)ccc(Br)c4	10666
+c1cc(ccc1C(c2c(ccc(Br)c2)Cl)=O)CCOC(=O)C	358
+Clc1ccc(cc1-c2nc3c([nH]2)cccc3)Br	1127
+n1cc(cnc1N2CCC(CC2)Oc3cc(ccc3Cl)Br)-c4nn(nn4)CC(OCC)=O	20
+c1cc(ccc1Oc2c(Cl)ccc(c2)F)[N+]([O-])=O	46
+c1c(Br)cc2c(c1)N(CC2)C(=O)Cc3cc(ccc3F)F	429
+c1cc(ccc1[N+]([O-])=O)Oc2c(ccc(F)c2)F	46
+c1c(cc(c(c1)-n2nccc2)[N+]([O-])=O)Br	926
+c1cc(ccc1)Sc2ccc(Br)cc2C(=O)O	826
+c1c(cc(C=Cc2c(I)ccc(c2)Br)c(I)c1)Br	1521
+c1cc(ccc1-c2cc(c(cc2)N)C#N)Cl	11
+c1ccccc1Cc2cc(C#N)c(cc2)N	2300
+c1cc(ccc1)S(=O)(=O)c2cccc3cc(C(Nc4c(C#N)cc(cc4)I)=O)[nH]c23	187
+c1c(cc(C(C)O)c(N)c1)Br	74
+c1cc(ccc1)C(O)(c2cc(ccc2N)Br)C	3847
+c1cc(ccc1OCC(=O)Nc2c(C(=O)OC)cc(cc2)Br)C#N	26
+c1c(cc(c(Nc2c(ccc(Cl)n2)C(=O)O)c1)F)Br	201
+c12c(cc(-c3ccncc3C)[nH]1)cc(Br)cn2	3152
+c1c(cc(c(NC2=C(C=C(C(N2C)=O)Br)C(=O)O)c1)F)Br	127
+c1c(cc(c(NC2=CC(=O)N(C)C=C2C(NOCCO)=O)c1)F)Br	1000
+c1c(cc(c(Nc2c(C(=O)OC)ccc3cncn23)c1)F)Br	1905
+c1c(cc(c(Nc2c(ccc(O)n2)C(=O)O)c1)F)Br	1
+c1c(cc(c(Nc2c(C(=O)OC)ccc(O)n2)c1)F)Br	104
+c1c(cc(c(Nc2c(ccc3cncn23)C(=O)O)c1)F)Br	1
+c1c(cc(c(Nc2c(cn3c(c2Cl)ncc3)C(=O)O)c1)Cl)Br	1
+c1c(cc(c(Nc2c(cnc(O)c2F)C(=O)O)c1)F)Br	1
+c1c(cc(c(Nc2c(C(=O)OC)cnc(O)c2F)c1)F)Br	104
+c1c(cc(c(Nc2c(C(NOCCO)=O)ccc3cncn23)c1)F)Br	1000
+c1c(cc(c(Nc2c(c3c(cc2C(=O)O)n(cn3)C)Cl)c1)Cl)Br	1
+c1c(cc(c(Nc2c(-c3nnc(CCl)o3)cn4c(c2Cl)ncc4)c1)F)Br	2145
+c1c(cc(CO)c(Nc2c(cc(c(F)c2)-c3cc(C)c(Cl)cc3)OC)c1)Br	49
+c1ccccc1CSc2cc(C=O)c(Nc3cc(c(cc3OC)-c4cc(c(Cl)cc4)C)F)cc2	607
+C(C(c1cc(c(cc1)O)OC)=O)CC(=O)O	5
+c1cc(ccc1F)-c2cccn3c2nc(n3)Nc4ccc(-n5cnc(C)c5)c(c4)OC	490
+c1c(cc(C(=O)N2Cc3ccccc3CC2CO)c(-n4c(C)cc(n4)C(=O)OCC)c1)Br	30
+c1c(cc(N)c(c1)-n2nccc2)Br	0
+c1cc2c(cc1)C(c3ccccc3O2)C(C(=O)c4ccc(cc4C)Br)C(=O)OCC	10667
+c1cc(ccc1)-c2cc(c(C=O)cc2)F	11
+c1c(cc(F)c(C=C)c1)Br	10668
+c1c(cc(N)c(c1)CC)Br	0
+c1cc(ccc1Cl)-c2cc([N+](=O)[O-])c(cc2)CC	11
+C1c2c(F)cc(cc2C(CC1)=O)Br	214
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	14
+c1c(cc(c(c1)CCN)Cl)Br	157
+c1c(cc(c(c1)Cc2c(nn(-c3c(Cl)ccc(N)c3)c2C#N)CCCC)F)Br	0
+c1c(cc(c(c1)Cc2c(nn(-c3c(Cl)ccc([N+]([O-])=O)c3)c2C#N)CCCC)F)Br	331
+C(O)(C(Nc1ccc(Cl)c(c1)Cl)C)=O	3
+c1c(cc(N)c(c1)N(C)CCO)Br	0
+c1cc(ccc1)Cc2c(Oc3ccc(F)cc3C(C)=O)nc4c(cc([N+]([O-])=O)cc4)c2	10669
+c1ccccc1-c2ccc(cc2)CC(C(OC)=O)NC(=O)c3c(O)ccc(Br)c3	259
+c1c(cc2C(NOc2c1)=O)Br	3582
+c1cc(ccc1F)COC=2C=CN(c3ccc(c(OC)c3)O)C(C=2)=O	1614
+c1ccccc1Nc2c(ccc(Br)c2)[N+](=O)[O-]	275
+c1cc(ccc1)CNc2cc(ccc2[N+](=O)[O-])Br	60
+c1(NCc2cncc(F)c2)c(ccc(c1)Br)[N+]([O-])=O	60
+c1cc(ccc1COC2=CC(N(C=C2)c3cc(NC)c(cc3)[N+]([O-])=O)=O)Cl	1614
+c1ccc2C(=O)N(C(=O)c2c1)CCCc3cc(C(N)=O)ccc3	966
+c1cc(ccc1C(=O)Nc2ccc(c(NC(=O)c3cccc(CCl)c3)c2)C)C#N	50
+CC(c1cc(OCc2cc(c(cc2)Cl)Cl)ccc1)=O	139
+c1ccccc1COc2cc(C(C)=O)ccc2	139
+c1c(Oc2cc(C)ccc2)cc(cc1)CO	41
+c1ccccc1-c2cc(cc(C(NC)=O)c2)Br	134
+c1cc(ccc1-c2cc(cc(C(=O)O)c2)[N+](=O)[O-])C	134
+c1cc(ccc1)-c2cc([N+]([O-])=O)cc(C(=O)OC)c2	134
+c1c(cc2-c3nc(C(=O)O)sc3CCOc2c1)Br	6
+c1c2c(ccc1Br)CCCC2	165
+c1ccccc1COC(=O)Nc2c3[nH]cc(C4(CC)c5ccc(cc5CC4)F)c3ccc2	1263
+c1ccccc1CN2c3cc(ccc3OCC2=O)Br	1126
+c1c(cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2c1)CC(=O)O)Br	3
+c1cc2c(OCCC2O)cc1F	74
+c1c(cc2OCCCNCc2c1)Br	162
+c1c(cc2OCCc3c(sc(C(N(c4c(Cl)ccc(C(=O)O)c4)C)=O)c3)-c2c1)Br	1
+c1c(cc2OCCc3c(sc(C(=O)O)c3)-c2c1)Br	1
+c1cc(ccc1)Cn2c3ccc(Br)cc3c(c2C)C	190
+C1CC(CCN1C)c2c3c([nH]c2)ccc(c3)Br	671
+c1ccccc1COc2ccnc3c2cc(cc3)Br	260
+c1(ccc2c(c1)NC(=O)C(C)O2)Cn3ccnc3	2330
+c1cc(ccc1C(C)(C)C#N)Nc2c3c(ccc(Br)c3)ncc2[N+](=O)[O-]	179
+c1c(cc2c3c(NC(=O)N3CC(C)OC)cnc2c1)Br	10670
+c1c(cc2c(c(cnc2c1)C(=O)O)NCC(C)OC)Br	6
+c1ccccc1CSc2cc3c(F)cnc(O)c3cc2	607
+c1ccccc1CSc2cc3c(c(O)ncn3)cc2	2039
+c1(N)nc(ccn1)-c2sc3c(cccc3)c2C	562
+c1ccccc1CN2c3cc(Br)ccc3CCC2	507
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4ccc(cc34)Br	3891
+c1c(cc2c(c1)N(C(C)CC2Nc3ccc(cn3)C#N)C(=O)C)Br	70
+c1cc(ccc1)C(Nc2nccc3c2ccc(c3)Br)=O	10671
+c12c(cnc(N)c1)cc(cc2)Br	2203
+c1c(ccc2c3ccc(cc3n(c12)-c4ccccc4)Br)Br	2246
+c1cc(ccc1)Cn2c3cc(ccc3cc2)Br	190
+c1cc(ccn1)-c2cc3c(ccnc3)cc2	498
+c1c(cc2c(c1)n(C3CCCCO3)nc2C(=O)O)Br	1
+c1c(cc2c(c1)nc(Cl)c(CO)c2)Br	269
+c1cnccc1-c2ccc3nc(ncc3c2)N	498
+c1cc(ccc1)-c2cc3ccsc3cc2	11
+c1ccccc1-c2ccc3c(c(CCC(OC)=O)c[nH]3)c2	11
+c1cc(ccc1)CN2c3ccc(C#N)cc3-c4c(cccc4)C2=O	10672
+c1c(cc2c(ncnc2c1)-c3cc(C(=O)O)ccc3)Br	6
+c1cc(ccc1F)-c2cc3c(ncnc3cc2)O	11
+c1c(oc2c1cc(cc2)Br)CC	2361
+c1ccccc1S(=O)(=O)n2c3c(cc(F)cc3)c4C(NCCc24)=O	367
+c1cc(ccc1S(=O)(=O)n2ncc3c2ccc(Br)c3)C	3123
+c1cc(ccc1C)Cn2c(C(OCC)=O)cc3c2ccc(Br)c3	190
+c1cc(ccc1[N+]([O-])=O)Cn2c(C(OCC)=O)cc3c2ccc(Br)c3	190
+c1ccccc1Cn2c3ccc(Br)cc3cc2C(OCC)=O	190
+c1c(cc2c(c1)n(C)c(CO)c2)Br	194
+C1C(CN(C1)c2nnc(cc2)C#N)c3ccc4c(cc(C(Nc5cc(F)cnc5)=O)[nH]4)c3	212
+c1cc(ccc1CNc2c(I)cc3c(n2)ccc(Br)c3)OC	554
+c1cc(ccc1)COC(=O)N2CC(CC2)Cn3ccc4cc(ccc34)Br	1854
+c1cc(ccc1)Cn2ccc3cc(Br)ccc23	190
+c1ccccc1S(=O)(=O)n2c3c(cc(Br)cc3)cc2	367
+c1c(cc2ccc(C(=O)C)nc2c1)Br	1867
+c1cc(ccc1-c2ccc3c(c2)ccc(n3)C(C)=O)C(=O)C	11
+c1c(cc2ccc(N)c(N)c2c1)Br	0
+c1c(cc2ccc3cnc(C)n3c2c1)Br	10673
+c1ccccc1COc2cc3nccc(c3nc2)Cl	1900
+c1(C=O)cc2nn[nH]c2cc1	39
+c1c(cc2nonc2c1)Oc3c(cccn3)C(=O)O	6
+CC(C)(c1ccc(cc1)CNC(=O)c2c(Oc3ccc4nsnc4c3)nccc2)O	56
+c1c(cc2nsnc2c1)Oc3c(cccn3)C(=O)O	6
+c1c(cc2sc(c(C(=O)OCC)c2c1)Nc3cc(ccc3[N+]([O-])=O)F)Br	10674
+c1c(cc2sc(c(C(=O)OCC)c2c1)Nc3cc(ccc3N)F)Br	0
+c1c(ccc(-c2oncc2CO)c1F)F	903
+c1c(ccc(-c2oncc2CCCO)c1F)F	95
+c1c(ccc(-c2oncc2CCC(=O)O)c1F)F	3
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5cc(CN)ccc5-c4n3)c1F)F	107
+c1ccccc1COc2ccc(c(C#N)c2)Br	22
+N1c2c(cc(Br)c(Cl)c2)CCC1=O	2440
+c1cc(cc(OC)c1C#N)Cn2cncc2Cc3ccc(nc3)N4C=C(Cl)C=CC4=O	10675
+c1cc(ccc1CNC(C2=CN3C(=C(C)C(N(Cc4ccc(C(=O)OC)c(C)c4)C3=O)=O)S2)=O)F	1819
+c1cc(ccc1-c2sc(Cl)cc2NC(=O)OC(C)c3c(cc(cc3)F)F)-c4ccc(cc4)C5(CC5)C(=O)OCC	10676
+c1c(c(C(=O)c2cccc(OC)c2)ccc1F)F	335
+c1c(ccc(C(=O)O)n1)C(=O)NCc2ccc(c(Cl)c2)Cl	1
+c1c(ccc(CCC(OCC)=O)c1F)F	159
+c1c(ccc(C=Cc2occ(COc3cccc(c3)CCCn4nncc4)n2)c1F)F	547
+c1cc(ccc1OCc2nc(oc2)C=Cc3ccc(cc3F)F)CCCCO	547
+c1cc(ccc1CN(c2c(c([N+]([O-])=O)ccc2)C=C)Cc3ccc(cc3F)F)Oc4cc(ccc4)OCC=C	507
+c1c(ccc(CCCN)c1F)F	51
+c1c(ccc(CCC#N)c1F)F	143
+c1c(ccc(CCC(=O)O)c1F)F	3
+c1cc(ccc1CC)C(=O)NCc2ccc(F)cc2F	14
+c1cc(ccc1O)CCC(N(CCC)Cc2c(F)cc(cc2)F)=O	10
+c1c(ccc(COC2=C(C(N(C(=C2)C)c3c(C)cnc(c3)C(=O)O)=O)Cl)c1F)F	1
+C(c1ccc(Cl)c(Br)c1)N	162
+N(C)c1cc(Cl)c(F)cc1	695
+c1(C=O)ccc(-n2ncnc2)c(F)c1	2267
+c1cc(C(C)C(O)=O)cc(N)c1N	0
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCCCCCN(CCCC)C(=O)Nc4c(cc(cc4)F)F	326
+c1ccccc1CON2C(c3cc(c(Cl)nc3N(C2=O)c4ccc(cc4F)F)F)=O	10677
+c1cccc(N)c1C(Nc2ccc(cn2)Cl)=O	0
+c1cc(ccc1C(C(OC)=O)Oc2c(F)cc(F)cc2)S(=O)(=O)C3CCOCC3	2486
+c1cc(ccc1)COc2ccc(O)nc2	483
+c1c(ccc(Oc2cc(C(NC)=O)ccc2N)c1F)F	0
+c1c(N)c(cc(c1Br)Oc2c(cc(cc2)F)F)N	0
+c1(C)c(cc(c(Oc2ccc(cc2F)F)c1)Br)N	0
+c1c(ccc(Sc2c(N)ccc(C(NCC)=O)c2)c1F)F	0
+c1c(ccc(Sc2c(N)ccc(c2)C(=O)C)c1F)F	0
+O=Cc1cc(ccc1[N+]([O-])=O)C(=O)OC	39
+c1c(ccc([N+]([O-])=O)c1CO)C(=O)OC	59
+c1cc([N+]([O-])=O)c(-n2ccnc2)cc1F	431
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CCCO)CC2)=O)=O	168
+C(CCCc1cc(c(cc1)Cl)Cl)O	21
+c1c(ccc(-c2nc(ccc2C(=O)OCC)Cl)c1F)F	174
+c1c(ccc(c1F)-n2c(c(cn2)C(=O)O)N)F	6
+c1cc(ccc1)COc2ccc(C(C)=O)cc2OC	22
+c1ccccc1N2N(C(=C(C2=O)C(Nc3ncc(cc3)O)=O)C)C	10678
+C1CCN(C1)CCOc2ccc(cc2)Nc3nc4cc(C)cc(n4n3)-c5ccc6c(c5)OCCO6	490
+s1c(NC2C(O)CCCC2)nc3ccc(O)cc13	5
+c1ccccc1-c2c(ccc(OC)c2)-c3cc4c(c5ccc(Br)cc5n4-c6ccccc6)cc3	495
+COc1c(C(c2ccc3ccccc3c2)=O)c(F)ccc1Br	335
+c1cc(ccc1-c2cn3c(sc4cc(ccc34)O)n2)[N+](=O)[O-]	10679
+c1cc2nc(SC)sc2cc1Oc3c4c(cccc4)ncc3	242
+c1(nc2c(s1)cccc2)Oc3ccc4oc(C(OC)=O)cc4c3	1523
+c1c(cccc1-c2cc(O)c3c(c(O)cc(C(=O)O)n3)c2)C	1
+c1cc(ccc1)-c2cccc(c2)OCC(O)CN3CCc4c(C3)cccc4	11
+c1(-c2cn3nc(ccc3n2)Cl)cc(ccc1)C#N	1749
+c1c2NC(=O)CC(c3cc(ccc3)C#N)=Nc2ccc1I	1222
+N1c2cc(-c3cc(ccc3F)F)ccc2N=C(c4cc(ccc4)C#N)CC1=O	1222
+N1(CC(c2cc(ccc2)O)CCC1)CC3COc4c(cccc4)O3	15
+c1c(cccc1C2NCCC2)OC	15
+c1cnccc1CN2CCCC2c3cc(ccc3)OC	171
+c1cc(ccn1)C=Cc2cc(Nc3ncccc3[N+]([O-])=O)ccc2	914
+c1ccc(cc1OCCC(O)C)CC(OC)=O	267
+c1ccc(O)cc1OCC=C	173
+c1c(OCCn2ncc(c2)[N+]([O-])=O)cccc1OC	338
+c1c(Oc2cc(Br)c(F)cc2N)cccc1OC	0
+c1cc(cc(O)c1)Oc2ccccc2[N+]([O-])=O	5
+c1c(cccc1OCC2Cc3c(CC2)cc(C4CC(N)(CC4)CO)cc3)OC	886
+Clc1ccc-2c(c1)COc3c-2ccc(OC)c3	3034
+c1c(cc(N)cc1)C(=CC#N)c2cc(c(OC)cc2)OC	0
+c1c([N+]([O-])=O)cccc1C(=O)c2ccc[nH]2	1873
+c1ccc(cc1C(Nc2c(cccc2)Oc3cc(c(C#N)cc3)C#N)=O)[N+]([O-])=O	50
+c1c([N+]([O-])=O)cccc1C(=O)c2cccn2C	1873
+c1cc(ccn1)NC(=O)c2cccc([N+]([O-])=O)c2	50
+c1c(cn2c(nc(C)c2C(O)=O)c1OCc3c(F)c(ccc3F)F)C	6
+c1c(cnc(c1F)CO)F	629
+n1c(Cl)nccc1NC(C)c2ncc(cc2)F	40
+c1c(cnc(C(C)Nc2nc(c3ccncc3n2)Nc4ncn(C)c4)c1F)F	798
+c1c(cnc(C(C)N)c1F)F	524
+c1ccccc1COc2ccc(cc2)C(c3c(F)cc(cn3)F)=O	10680
+c1cc(ccc1CO)-c2ccc(F)cn2	119
+c1cc(ccc1CC(c2ncc(CC(C)(C)CC)n2C)N(C)C(=O)OCc3ccccc3)-c4ccc(F)cn4	4185
+n1n(cc([N+]([O-])=O)c1)CC(=O)Nc2ccc(cn2)F	1114
+C(=O)(c1ccc(nc1)NC(c2cnc(Br)cc2)=O)O	1
+c1c(cnc(C(=O)O)c1F)F	1
+c1(cc2c(nc1)CC3(c4cccnc4NC3=O)C2)C(=O)O	1
+c1cc(ccc1Cl)-c2cc(cnc2)C(=O)OC	89
+n1cc(cc(c1)-c2nnc(CCl)o2)Br	2145
+c1c(Cl)n(CC(O)=O)nc1Cl	3
+c1cc(ccc1O)CNc2c(ncc(n2)Br)N	941
+c1(c(ncc(Br)n1)N)C#Cc2cccc(c2)O	2350
+C1CC(CCC1)c2nc(ccc2F)C(=O)O	1676
+c1c(nc(cc1)C(=NOCCC=O)C)C	24
+c1(N)cccc(-c2ccnc(n2)NCCc3ccc(c(OC)c3)OC)c1	0
+c1cc(ccc1CCNc2cc(nc(Cl)n2)C(OC)=O)OC	40
+c1cc(cc(CCNC2CCCc3nc(ccc23)C#N)c1OC)F	5036
+c1ccccc1Nc2ccc3c(nc(N)cc3)n2	201
+c1c2nc(CO)cn2c(cc1)F	1125
+c1c2c(cc(c1)CNc3c4ccccc4nc(c3)C)N(c5c(nccn5)S2)COC	1731
+c1cc(ccc1CNc2c3ccc(-c4cc(ncc4)C)nc3ccn2)-c5ccnc(c5)C	2791
+c1cc(cnc1C(=O)O)-c2ccc(cn2)C#N	1
+c1cc(ccc1OC(OC2CN(CC2)c3cnc(cc3)C(N)=O)=O)[N+]([O-])=O	405
+c1cc(ccc1OC)CNc2ncc3c(c(ncn3)Nc4ccc(c(Cl)c4)Br)c2	182
+c1cc(ccc1OC)CNc2ncc3c(c(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)ncn3)c2	182
+c1cc(ccc1OC)CNc2ncc3c(c(Nc4ccc(c(Br)c4)F)ncn3)c2	182
+c1c(nccc1)CN(Cc2ccccn2)CC(NC3C(=O)N4C3SCC(COC(C)=O)=C4C(O)=O)=O	127
+c1cc(ccc1)N2C(=O)C(=C3COCCN23)C(=O)Nc4cc(c(Oc5ccnc(c5)C(N)=O)cc4)F	1349
+CCC(CO)Nc1ccncn1	511
+n1c2n(cc(Br)c1)cc(-c3c(Cl)ccc(NC(c4oc(cc4)C)=O)c3)n2	1129
+CC1(C)Cc2c(cc3c(oc(CC)c3)c2C(OC)=O)O1	1658
+c1cc(ccc1N(C)C)C(c2ccc3c(c2)cc(o3)CCN4C(C)CCC4)=O	705
+c1cc(ccc1C(=O)c2c(oc3ccc(cc23)F)CC)OC	3102
+c1(C)cc(N2CCNC2=O)sc1C(OCC)=O	10681
+c1(CCC)cc2CCc3ccccc3-c2cc1	165
+c12-c3c(cccc3)C(c1cccc2)COC(N4CCC(CC4)(c5ccc(cc5)Br)C(=O)O)=O	613
+c1cc(ccc1)C(c2ccccc2)=Nc3cc4c(cc3)-c5sc(cc5CCO4)C(N(C)c6c(Cl)cccc6)=O	2017
+c1ccc2C(=O)N(C(=O)c2c1)C3C(CCC3)OCc4ccccc4	149
+c1c2c(ccc1)C(=O)N(C2=O)CC(NCc3ccccc3)=O	9
+N1C(O)c2cc(F)c(cc2C1=O)F	5025
+C(C(=O)OC)C1c2ccccc2C(N(C)c3c1ccc(c3)O)=O	173
+c1c2C(CC(=O)OC)c3ccccc3C(N(C)c2cc(OCCCCNc4ncccc4)c1)=O	174
+c1c2C(c3ccccc3C(N(C)c2cc(OCCCCNc4ncccc4)c1)=O)CC(=O)O	4
+C1C(O)c2cnn(C)c2CC1	4242
+c1-2ccccc1N(CC)C(c3cc(cn-23)C=O)=O	200
+Fc1cc2c(NCC2)cc1F	15
+C1(CCN(C1)C)C2Cc3ccccc3C=C2	15
+c1c2CC(C3C(N(C)CC3)=O)C=Cc2ccc1	1781
+c1c2CC(Nc2ccc1C(c3cccc(NC(=O)c4cc(C)nn4CC)c3)=O)=O	187
+c1c2CC(Nc2ccc1C(c3cc(N)ccc3)=O)=O	0
+c1c2CCC(Cc2ccc1C(=O)OC)O	100
+c1cc(ccn1)OC2CCc3cc(ccc3C2)C(OC)=O	1372
+Ic1c2c(ccc1)nc(cc2)NC3CCc4ccccc34	554
+c1ccc2c(ccc(n2)NC3CCc4ccccc34)c1[N+]([O-])=O	554
+c1c2CCCC(N(C)Cc3nc4c(cccc4)n3CC(=O)O)c2ncc1	4
+c1c2CCCC(c2ccc1OCCn3ccnc3)=O	871
+c1cc(ccc1C=C2CCc3c(C2=O)ccc(OCCn4cncc4)c3)C(=O)O	1103
+c1ccccc1CC(C(OCc2ccccc2)=O)CC(N3Cc4cscc4C3)=O	731
+c1ccccc1S(=O)(=O)c2cnc(CNC(N3Cc4c(C3)n[nH]c4)=O)cc2	468
+O1COc2cc(O)c(cc12)C3C(=O)N(c4ccccc34)CC(=O)OCC	462
+c1cc(ccc1C#Cc2cc3c(cc2)N=C(CC(=O)N3)c4cccc(c4)C#N)OC	129
+c1c2NC(CCc2cc(c1)C=CCCCl)=O	2576
+c1cnccc1-c2c3c(NC4CC4)nc(nc3n(S(=O)(=O)c5ccc(cc5)C)c2)Nc6cc7c(NC(CC7)=O)cc6	55
+c1cc(cc2CCC(Nc12)=O)CCCl	165
+c12ccc(O)nc1ccc(c2)C=CCCCl	10682
+c1cc(CO)cc2CC(Nc12)=O	49
+c1c2NC(Cc2cc(-c3cnco3)c1)=O	2288
+c1c2NC(Cc2cc(C(=O)O)c1)=O	1
+c1cc(cc2CC(Nc12)=O)CCCl	165
+c1c2c(ccc1Oc3nc4c(s3)cccc4)cc(CO)[nH]2	398
+c1ccccc1NC(=O)c2c(Cl)cccc2N	1768
+c12Oc3cc(C(=O)O)ccc3C(=O)c1cccc2	1
+c1nc(ccc1C(Nc2ccccc2N)=O)NCCNC(=O)c3c(c([nH]c3C)C=C4c5c(cccc5NC4=O)C)C	56
+c1c2c(ccc1)C3C(OCC(=O)N3)C2	467
+c1c2c(C(Nc3nc(c(Br)nc3C)C)C(O)C2)ccc1	5040
+c1c(c(OC)cc(c1N)CCNCCCN(C2Cc3c(ccc(c3)OC)CC2)C)OC	15
+c1c2c(CC(N(CCCNC(=O)Cc3c(N)cc(OC)c(OC)c3)C)CC2)cc(c1)OC	0
+c1cc(ccc1OCc2ccc3c(n2)cccc3)Cn4c5c(c(CC(OC)=O)c4)cccc5	962
+c1cc(ccc1CN2C(C3(Cc4c(cc(cc4)[N+](=O)[O-])C3)NC2=O)=O)OC	10683
+c1c2c(CCCN(CCCN)C)c[nH]c2ccc1	51
+c1cc(ccc1)C(=O)NCCCN(CCCc2c3c(cccc3)[nH]c2)C	93
+c1c2c(CCCNCCOc3c(c(N)ccc3)N)c[nH]c2ccc1	0
+c1c2c(CCCO)c[nH]c2ccc1	88
+C1CC(CCN1C)c2c3c(cc4c(N(CC4)C(C)=O)c3)[nH]c2	671
+c1c2c(CCN3CCN(c4sc(C(O)=O)c(n4)C)C3=O)c[nH]c2ccc1	6
+c1c2c(CCN3CCN(c4nc(c(s4)C(=O)NCc5cnccc5)C)C3=O)c[nH]c2ccc1	454
+C1Cc2c(cccc2Br)C(N1C(=O)c3nn4c(ncc(c4)Br)c3)C	147
+C1Cc2ccccc2C(c3ccccc13)=C4CCC(CC4)N	102
+c1c2c(CCc3ccccc3C2CC(CN)O)sc1	18
+c1ccccc1CON2c3c(ccc(-n4cncc4)c3)NC(=O)C2=O	4761
+O=C1c2c(C(=O)N1Cc3ccc4c(c3)N(COC)c5c(nccn5)S4)cccc2	2397
+c1cc(ccc1)N2C(CCc3c2cccc3)=O	2331
+C(C[N+](=O)[O-])c1ccc2c(c1)NC(=O)C(C)O2	364
+c1c2C=C(C(O)=O)CCOc2ccc1	127
+c1(ccc(Br)c(Cc2cc3c(OCCO3)cc2)c1)I	394
+c1cc(ccc1C(Cn2c3c(c4cc(ccc24)C)CN(CC3(CC=C)C)C)=C)F	10684
+c1ccccc1C#Cc2ccc(OCCC)c(C(NC(CO)Cc3c[nH]c4ccccc34)=O)c2	14
+c1cc(ccc1)COC(n2c3c(cccc3)c(CC(O)=O)c2)=O	1825
+c1cc(ccc1Br)-c2cnc(nn2)NNC(Cc3c[nH]c4ccccc34)=O	355
+c1c2c(CCCNC)c[nH]c2ccc1	15
+c1c2c(CCCOC)c[nH]c2ccc1	21
+c1c2c(COC2)c(C(=O)O)nc1	1
+C(OC(CCc1c2ccc(cc2sc1)OCCc3nc(NC)ccc3)=O)C	126
+c1c2nc(cc(Cl)c2ccc1OC)CO	453
+c12c(cccc1)c(nc(OCC)c2)Cl	174
+c1cc(ccc1OC)N2C=Cc3cc(ccc3C2=O)OC	10685
+c12ccc(Br)cc1c3c(ccc(Br)c3)n2CC(O)CCNc4ccccc4	10686
+c1cc(ccc1S(=O)(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)O)F	592
+c1ccccc1COC(NC(C(OCC)=O)CCC(NC(C(O)=O)Cc2c[nH]c3ccccc23)=O)=O	188
+C(CCC1Cc2c(ccc(Br)c2)C1)CCCCC	165
+c1cc2c(cc(Br)cn2)cc1COC	49
+C(CCCCCCCC)Cc1ccc2c(cc(cc2)OC)c1	213
+c1cc2c(cc1O)cc(C#N)cc2	5
+c1cc(ccc1Cn2c(cc3ccccc23)CN(C)C(c4ccc5c(CN(C(C(N5)C)=O)C)c4)=O)O	30
+c12c(CCC1)cc3c(c2)C(=O)OC3=O	3112
+c1c2c(ccc(C)c2)[nH]c1C#N	331
+c1cc2c(cc(C)n2C)cc1CO	98
+c-12c(NCCc3nncn-13)cccc2	15
+c1(ncccc1)C2=C(C(C)N)N=C3N(C(=CC=C3)C)C2=O	1764
+C1(c2ccccc2C(=O)N1C(c3cnc4ccccc4c3-c5ccc(cc5)F)C)=O	699
+c1ccccc1C=2c3c(-n4c(nnc4CN=2)CCN)ccc(F)c3	45
+[N+](c1cc(CN)c(Br)c(C)c1)([O-])=O	45
+CCCN(CCC)CCCCC1C(OC)c2ccc(cc2C1)CN	45
+CCN(C)Cc1cc2c(F)cccc2nc1CN	45
+c1cc(ccc1OC)N(c2nc(CN)nc3ccccc23)C	45
+c1ccccc1C=2c3cc(ccc3-n4c(CN=2)ncc4)Br	4926
+CN(C)S(=O)(=O)c1cc(OC)c(cc1)N	2505
+c1nc(ncc1)Cn2nc(N)cc2Br	1131
+c1cccc2CC(Cc12)(c3c[nH]cn3)CO	44
+c1c2c(C(Nc3nc(c(nc3CC)Br)C)C(O)C2)ccc1	5040
+c1cc(ccc1S(=O)(=O)OCC2COc3ccccc3C2)C	36
+c1c2c(C(C(C2)O)CO)ccc1	95
+c1c2CC3CCC(N)(CC3Cc2ccc1)CN	51
+c1c(cc(c(c1)C2c3c(cccc3)N(CCCCC)C2=O)O)Br	462
+NCCN1C(Nc2ccccc12)=O	18
+c1cc(ccc1-c2cc3c(ncnc3N4CCc5ccccc45)[nH]2)[N+](=O)[O-]	5041
+c1cc(ccc1)S(=O)(=O)N2CCc3ccccc23	416
+[O-][N+](c1cn(nc1)CCCN2c3c(cccc3)CC2)=O	713
+c1cc(ccc1-c2cc3c([nH]2)ncnc3N4CCCc5c4cccc5)[N+](=O)[O-]	5041
+c12c(N3CCCc4ccccc34)ncnc1ccc(I)c2	860
+c1c2c(cc(CCc3cccc(F)c3)cc2)ccc1	1442
+c1c2c(ccc1)cc(C=Cc3cccc(F)c3)cc2	3158
+CSc1cc2ccccc2cc1O	5
+c1cc(ccc1Cl)S(=O)(=O)Nc2c(Cl)nc3c(cccc3)n2	10687
+c1c2c(ccc1)nc(o2)N3CCCCC3C(O)=O	4
+c1cc(ccc1OC)C(c2ccc(cc2)OC)(OCC(CNc3c4ccccc4nc5c3cccc5)O)c6ccccc6	604
+O=C(O)c1c2c(n(c1)-c3c4ccccc4ncc3)cc(cc2)OC	1
+c1cc(ccc1F)C(=O)Nc2c(nc(Nc3c4ccccc4ncc3)s2)C(N)=O	3154
+c1cc2c(cc1CCBr)CCN2C(=O)C	165
+c1cc(ccn1)C(Cn2c3ccc(cc3c4CN(CC=C)CCc24)C)O	2695
+n1c(COC(CCCCC)=O)nc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)cc1	185
+n1c(c2ccncc2nc1Oc3cc4c(cc3)n(cc4)C)O	5042
+c1nc(ccc1C#N)OCCCOc2ccc3n(ccc3c2)C(C)C(=O)OC	20
+c1c2c(ccc1OC(SC)C(=O)O)ncc(c2)Br	4
+S(c1[nH]c2c(ccc(OC)c2)n1)Cc3cccc4CCCN(C)c34	3089
+c1cc(ccc1F)-c2c3c(cc(OC)cc3)cc(n2)Nc4ccn[nH]4	140
+c1c2c(ccc1OC)c(Cl)ncc2	174
+c1cc(ccc1C(OC)=O)-c2cc3c(nc2)cc(cc3)OC	89
+c1c2c(ccc1OC)cc(c(n2)-c3ccsc3)C(=O)O	1
+c1(C(=O)O)cnc2cc(OC)ccc2c1	6
+c1c2c(ccc1OC)nc(Cl)c(C#N)c2	1453
+C(Sc1cnc2ccc(cc2c1)OC)C=O	24
+c1c2c(ccc1O)ncc([N+]([O-])=O)c2	5
+c1c2c(ccc1O)ncs2	5
+c1cc(ccc1N)CCNc2ncnc3c2ccc(OCCCCl)c3	40
+c1c(Oc2nc3c(s2)cccc3)ccc4cc(C=O)[nH]c14	178
+C(Cc1c(C)ccc2c1cccc2)(O)C	100
+c1c2c(cccc2)c(c(C)c1)CC(C)=O	10688
+c1ccccc1Cn2c3cccc(c3cc2CC)OC	190
+c1cc(c(cc1Cn2c(C(=O)OCC)cc3c2cccc3N)Cl)Cl	0
+c1c2c(csc2ccc1)C=Cc3ccc(s3)CO	1364
+c1cc(ccc1Cn2nc(c3ccccc23)CC(=O)OCC)[N+](=O)[O-]	823
+c1cc(ccc1Oc2nc3cnccc3c(n2)O)N(CC4c5ccccc5CCC4)C	5042
+c1cc(ccc1CNc2ncc3c(c2)c(ncn3)Nc4cc(Br)c(Br)cc4)OC	182
+c12c(cccc1)C(=O)N(C2=O)CCCCc3oc4c(ccc(c4)C(=O)OCC)c3	966
+c1ccccc1CCNc2ncnc3sc(cc23)C(OCC)=O	1108
+c1cc(ccc1)Cn2c(c3c(n2)c4c(cc5CCCCc5c4)nc3O)C	4783
+c1(O)cc2c3ccccc3c4c(cccc4)c2cc1	5
+c1cc(ccc1F)-n2ncc3cc(I)c(C)cc23	1708
+c1ccccc1COc2c3c(cccn3)c4C(CCl)CN(C(=O)c5[nH]c6c(c5)cc(OC)cc6)c4c2	2677
+Nc1c(N)nc2ccc(cc2c1)OC	13
+n1ccccc1NCCCOc2cc3cc([nH]c3cc2)CC(C)C(OC)=O	126
+c12c3c(CCn3cc1)ccc2	4762
+c12cc(Oc3ccnc(n3)Cl)ccc1[nH]cc2	185
+c1c2ccc(-c3c(Cl)cc(C#N)cc3)nc2ccc1O	274
+c12c(cccc1)ccc(c2)OCCCCCCCCCl	450
+c1nc(ncc1COc2ccc3c(ccc(O)n3)c2)Nc4ccc(cc4)Cl	2171
+c1c2ccc(nc2ccc1O)C(=O)O	5
+c1nc(cc2c1cccc2)CCN	18
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCCO)c1	44
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCC=O)c1	24
+n1(Cc2noc(-c3sc(Cl)cc3)c2)c4ccccc4cc1C(=O)O	1
+c1c(CO)c2c(CCCN2)cc1	1352
+O(c1cc2cccnc2cc1)c3ncnc(Cl)c3	185
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCN(CC3)CC(COc4cc5cccnc5cc4)O)=O	170
+C(c1c(ccc2ncccc12)O)C=C	4053
+c1cc(ccc1N2CCN(CC2)C)Nc3ncc4cccc(c4n3)Br	744
+c1c2n(CC)cc(c2c(cc1F)O)CC(=O)O	4
+c1ccccc1COc2c3nc(-c4n5ccc(cc5nc4)OCCOC)ccc3ccc2	10689
+c1c2n3c(c4cc(O)ccc4c2ccc1)ncc3	5
+c1ccccc1COc2ccc(cc2F)-n3c4cc(F)cc(c4cn3)Br	1708
+c1c2nc(C(=O)O)cn2c(Cl)cc1	6
+c1cc2nc(oc2cc1CO)C	98
+c1c2ncc(n2ccc1OCCOC)C(=O)O	6
+c1cc(ccc1)Nc2c3c(cccc3)ncc2	179
+c1c(cc2nccc(Cl)c2n1)O	390
+c1cc(ccc1Oc2c3c(ncc2)cc(cn3)OC)N	10690
+c1c2nccc(c2ccc1OCCO)-c3c4n(nc3-c5ncccc5)CCC4	168
+C1Cc2ccc(OC)cc2NC1	1352
+c1c2ncn(-c3cc(c(C(=O)O)s3)OCc4ccccc4C)c2ccc1	1
+c1ccccc1CNC(=O)c2sc(-n3cnc4ccccc34)cc2OCc5ccccc5C	227
+c1c2ncn(c2ccc1)-c3sc(C(CCCC)O)cc3	2389
+c12c(ncnc1cc(OC)c(c2)O)O	5
+C(F)C(CF)(C)c1cc(NC(Nc2cc(Sc3ncnc4cc(OC)c(cc34)OC)ccc2)=O)on1	446
+c1ccccc1-n2c(NC(=O)Nc3cc(Sc4ncnc5cc(OC)c(cc45)OC)ccc3)cc(CC)n2	446
+c1cc(ccc1F)CC(c2cccc(S(=O)(=O)C)c2)C(Nc3nc4c(cccc4)o3)=O	10691
+c1(nccc2OCOc12)CO	813
+c1cc(ccc1)-c2nn3ccc(cc3c2C(C)=O)OC	10692
+c1cc(ccc1F)COc2cc[n+](cc2)[O-]	1210
+c1cc(-c2oc(-n3c(ncc3)C)nc2CCCCO)c4c(cccc4)c1F	44
+O=C(CNC(=O)c1c2c(cc(-c3cc(F)c(cc3)F)c1O)nc(cn2)-c4sccc4)O	3
+C(c1c(c(cc2c1ncc(n2)-c3sccc3)-c4cc(F)c(cc4)F)O)(O)=O	1
+c1(-c2cn3CCCCc3n2)cc(OC)c(-c4ncccc4)cc1	3035
+c1cc(ccc1F)C(O)Cc2cc(ccc2OC)-c3cccs3	3151
+c1cc(-c2oc(-n3c(ncc3)C)nc2CCCCOc4c(C)cccc4)c5c(cccc5)c1F	20
+c1cc(-n2cnc(CO)c2)ncc1Br	1125
+c1(ccc(Br)c(Cl)n1)C(=O)OC	174
+c1ccccc1Oc2c([N+](=O)[O-])c(OC)ccc2Br	46
+C(O)c1c(ccc(CBr)c1)Br	49
+c1cc(ccc1)CN2CCC(C2)Oc3c(Br)ccc(F)c3	20
+c1cc(ccc1Oc2c(ccc(F)c2)Br)C=O	46
+c1cc(Br)c(CO)cc1I	49
+c1cc(Br)nc(C(=O)O)c1OC	1
+c1cc(Br)nc(c1OCCCBr)N	161
+Nc1c(nc(cc1)Br)Nc2ccnc(Cl)c2	13
+c1cc(ccc1OCCN(CC)CC)C#Cc2ccc(Br)cn2	943
+c1cc(ccc1CO)CCC#Cc2ncc(Br)cc2	769
+c1cc(ccc1Nc2ccc(cn2)Br)Cl	1759
+c1cc(ccc1OCCN2CCCC2)C#Cc3ccc(Br)cn3	943
+c1ccccc1COc2ccc(-c3ncc(cc3)Br)cc2F	119
+c1c(Cn2ccnc2)cnc(c1)Br	10693
+c1c(c(C#N)cc(CO)c1)C#N	10694
+c1(C)c(ccc(C#N)c1)O	173
+c1c(OCCO)c(N)cc(C#N)c1	0
+c1cc(c2NC(=O)Sc2c1C(=O)C)O	5
+CCCCCCCCCCCCc1sccc1	2501
+c1cc(ccc1NC(=O)c2cc3c(cc2)cccc3)Cn4c5c(c(n4)CC(=O)OC)cccn5	50
+C(CNC(c1ccc2ccccc2c1)=O)CCN3CCN(c4c5c(cc(F)cc5)sc4)CCC3	93
+c1cc(cc(c1)-c2nnc(o2)-c3cc(OC)ccc3)I	1782
+c1cc(CO)cc([N+]([O-])=O)c1OCC	49
+C1CCCCN1S(=O)(=O)c2ccc(cc2)CNC(=O)c3ccn4nccc4c3	14
+c1cc(ccc1C(=O)Cn2c(ccc2C(=O)OC)Br)OC	10695
+c1cc(c(cc1I)OC)C(=O)O	1
+c1cc(C(=O)O)cc2OC(=S)Nc12	1
+OCc1ccc(cn1)C(=O)OC	398
+c1cc(C(=O)c2c(C)n(c3ccccc23)CCNc4ccc(c(O)c4)C(OC)=O)c5c(cccc5)c1	5
+c1cc(c2c(c(C)co2)c1OC)C(=O)c3sccc3	10696
+c1cc(C(=O)c2sccc2)c3oc(C(=O)O)c(c3c1OC)C	6
+OC(C#CC(c1ccc2c(OCO2)c1)=O)=O	10697
+c1c(cc2OCC(c2c1)=O)F	702
+c1ccccc1-c2ccc(cc2)NC(c3ccc(OC)c([N+]([O-])=O)c3)=O	50
+c1c(OCCOC)c(N)cc(C(Nc2c(C(=O)N)nc(s2)Nc3cc(F)ncc3)=O)c1	0
+c1ccccc1COC(Nc2c(cccc2)CCc3c(C(O)=O)cccc3)=O	90
+s1c(Nc2c(C)cccc2)nc(C=O)c1	1348
+c1cc(C)c(cc1)C(c2ccccc2C)N3C=CC=C(C(=O)O)C3=O	127
+c1cc(ccc1NC(Nc2c(C)cccc2)=S)-c3ccc4C(=O)N(Cc4c3)C(C(OC)=O)C(C)C	10698
+c1(oc2c(c1)cc(C)cc2)C(=O)OCC	5043
+c1(ccc(C)n1-c2nc(c(OCc3ccccc3)c(C)c2)C)C	483
+c1ccccc1CCc2nc(cc(C)c2)-n3c(ccc3C)C	10699
+Cc1cc(nc(c1)CCc2cc(C#N)cc(c2)NCCc3ncccc3)N	899
+c1c(F)c(c(cc1-n2c(ccc2C)C)F)C3=CCSCC3	252
+c1cc(ccc1F)COc2ccc(c(c2)F)-n3c(ccc3C)C	669
+c1ccccc1COc2cc(OC)c(cc2CC)-c3cccc(-n4c(ccc4C)C)n3	119
+c1cc(ccc1OC(=O)OCc2cnc(C)cc2)[N+]([O-])=O	10700
+c1cc(C)ncc1CO	88
+c1cc(cc(N)c1OC)C=CCO	2219
+c1cc(CC[N+](=O)[O-])cc(C)c1OC	364
+[O-][N+](CCc1cc(c(OCc2cccc3ccccc23)cc1)OC)=O	364
+c1cc(ccn1)-c2cn3c(c(N4CCOCC4)cc(NN=Cc5cccc(C(C)CCCC)c5)n3)n2	878
+c1cc(ccc1-c2c(ccc(CC)c2)OC)OC	2256
+c1(ccccc1Oc2cc(ccc2OC)CC)C	304
+Nc1c(cc(CC)cc1)C(=O)O	5044
+c1cc(cc(Br)c1OC)CCN2C=CC=CC2=O	10701
+c1ccccc1C(c2ccccc2)(C3CN(CC3)CCc4cc5c(cc4)CCC5)C(=O)N	28
+CCn1c(cc(C)n1)CCCNC(=O)CCc2ccc(C)c(C)c2	9
+c12cc(OC)c(cc1CCC2=O)CCCCCC	214
+c1c(cc(Oc2ccc(CCC(OCC)=O)c(C)c2)c(C)c1)O	5
+N1c2cc(ccc2CCN(C)CC1=O)F	1089
+c1cc(cc(C)c1OC)CCN	157
+c1cc(ccc1)SCCCOc2c(c(Cl)c(O)nn2)NCc3cccnc3	4341
+c1cc(ccc1C(CCC(NCc2cccnc2)=O)=O)Oc3ccc(c(c3)CC)OC	9
+c1ccccc1CCCc2cn(nn2)-c3sc(C(NCc4cnccc4)=O)c(C)n3	454
+c1cc(CN2C(C=3C(=C(N(CCCCNC)C(C=3O)=O)C(O)=O)CC2)=O)cc(Cl)c1F	127
+c1cc(CN2C(=O)C=3C(=C4C(=O)N(C)CCCCN4C(=O)C=3O)CC2)cc(Cl)c1F	10702
+c1cc(CNc2nc(SC)ncc2CO)cc(Cl)c1OC	897
+n1cccnc1CNC(=O)c2c(NCc3ccc(c(c3)Cl)OC)nc(nc2)SC	484
+c1cc(CNc2nc(SC)ncc2C=O)cc(Cl)c1OC	1195
+c1ccccc1CSc2nc(c(C(=O)OC)c(n2)NCc3ccc(c(c3)Cl)OC)Cl	1721
+c1cc(CO)cc(c1)CC(O)=O	3
+c1(C=O)ccc(OC)c(CCCCCC)c1	39
+c1c2NC(Cc2cc(C=O)c1)=O	39
+c1(cc(Br)c(Cl)cc1)C=O	39
+c1cc(ccc1OC)C(=O)c2cc(I)ccc2Cl	222
+Nc1c(Cl)ccc(CO)c1	0
+c1cc(Cl)c(N)cc1I	0
+c1cc(Cl)c(c(Cl)c1OC(C)C(=O)O)C	3
+c1cc(Cl)c(N)c(c1OC)Cl	0
+c1cccc2c1n3c(-c4cc(ccc4Cl)Cl)nc(C)c3c(n2)C	10703
+C(OC(C1c2c(n(CCF)c3cccc(OC)c23)CCC1)=O)C	2207
+c1cc(Cl)nc2c1NCC2	15
+c1(cc2C(CCCc2cc1Br)=O)F	214
+c1cc(ccc1N2C=CC=C(F)C2=O)-n3cc(nc3)CNC(c4sc(cc4)Cl)=O	10704
+c1cc(F)c(c(F)c1OCc2nc3cc(ccc3s2)CCC)C(=O)N	732
+O=Cc1c(OC)c(ccc1F)O	5
+c1c(C(=O)O)ccc(F)c1OCC	6
+c1cc(ccc1)CNc2c(ccc(c2)C3C(C(OCC)=O)C3)F	250
+c1cc(F)cc(N2C(SCC(=O)OCC)=Nc3scc(c3C2=O)-c4ccccc4O)c1	5
+O=C1C=CC=CN1c2ccc(I)c(F)c2	3044
+c1ccccc1-c2sc(CCCOC)c(n2)C(=O)Nc3ccccc3-c4nc5c(nccc5)s4	10705
+c1cc(ccc1C)-c2ccccc2N	134
+[nH]1c(-c2nccnc2N)nc3c1cccc3	10706
+c1cc(ccc1-c2n(c3c(n2)cccc3)C)NC	3226
+CCN1C(Nc2ccccc12)=O	1019
+CN(C)C(Cc1c(N)cccc1)c2c(ccs2)C	695
+c1cc(ccc1)C=CC(Nc2ccccc2F)=O	324
+c1ccccc1NC(=O)Nc2ccc(cc2)Oc3ncnc(Nc4c(cccc4)F)c3	73
+c1ccccc1Oc2ccccc2Cn3nc(C(Nc4c(F)cccc4)=O)cc3	772
+c12-c3c(cncn3)CCCc1[nH]cc2C(Nc4c(cccc4)F)=O	10707
+c1cc2c(Nc3cc(n(c3C(N2)=O)C)C)cc1	10708
+c1cc(N2C(CCC2)c3cc(cc(F)c3)OCCOC)nc4c(cnn14)C(=O)O	6
+c1cc(N2C(CCC2)c3cc(ccc3F)F)nc4c(cnn14)C(=O)O	6
+c1cc(N2C(CCC2)c3nc(O)ccc3)nc4c(cnn14)C(=O)OCC	104
+c1cc2N3C(CCC3)c4nc(OCCCNC(c5cnn1c5n2)=O)ccc4	1339
+c1cc(N2C(CCC2)c3nc(ccc3)OCCCN)nc4c(cnn14)C(=O)O	6
+c1cc(N2C(Nc3c(OC)c(c(c(F)c23)F)N)=O)c(F)cc1I	0
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(cnn14)C(=O)O	6
+c1cc(N2C(c3cc(F)cnc3)CCC2CO)nc4c(cnn14)C(=O)O	6
+N(C)C(COC(=O)N1CCCN(c2ccc(Br)cn2)CC1)=O	1011
+c1cc(ncc1Br)N2CCOC2=O	10709
+c1c(OC)c(Br)cc(N)c1	106
+c1cccc2C(=O)N(C(=O)c12)CCN(CCOc3c(F)nccc3)CC	1286
+c1cc(ccc1OC)CN(S(=O)(=O)c2cccc(Oc3cc(-c4ncnc5c(cccc45)Cl)c(cc3)Cl)c2)C	304
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4ccccc34)(c5cc(c(F)cc5O)F)O)=O	1115
+c1cc(ccc1Cl)-c2cnc(Oc3cnccc3)nc2-c4c(cc(Cl)cc4)Cl	3863
+c1cc(ccc1)Sc2cnc(cc2)O	10710
+c1cc(ccc1Cl)CN2C(=O)C=CC(Br)=C2	4659
+c1c(c(C)cc(c1)O)OCC(OCC)=O	173
+c1c(c([N+]([O-])=O)cc(c1)O)OC	173
+c1cc(cc(N)c1OC)OC(OCC)=O	0
+c1cc(ccc1C(c2ccc(OC)c(c2)F)=O)Br	1217
+c1ccccc1CNC(=O)c2cc(Br)ccc2OC	14
+c1ccccc1COc2c(ccc(Br)c2)OC	22
+c12c(CCC1)c(ccc2OC)OC	165
+c1ccccc1Oc2ccc(F)cc2NCc3c(OCCOC4OCCCC4)ccc(c3)OC	208
+c1ccccc1COCCCN2C(Nc3c(cc(OC)cc3)C2=O)=O	10711
+c1c(cc2c(oc(c2N)C(=O)N)c1)Br	10712
+C1(Nc2c(OC1)ccc(OCCBr)c2)=O	2729
+c1c(c(c(cc1)N)C#N)OCCCCCCCCOC(=O)C	0
+c1cc(OC=C)c(Cl)cc1Br	5034
+C(COc1c(OCCOC)cc(CO)cc1)OC	98
+S(c1cnc(Cl)cc1)c2c(F)cccc2	10713
+n1cc(N)c(cc1)CCOc2ccc(c3ccccc23)N	0
+N(c1cc(CCOc2ccc(c3ccccc23)N)ccn1)C(C)=O	0
+O=[N+](c1ccc(Cl)nc1Nc2c(Cl)cc(OC)c(OCc3c(F)c(ccc3OC)F)c2)[O-]	201
+c1cc(ccc1)C(CC(OCC)=O)Nc2nc(Cl)ccc2[N+](=O)[O-]	70
+Nc1ccc(Cl)nc1N	13
+C(c1ccc([N+]([O-])=O)c(c1)F)C(=O)O	4
+n1c(Cl)c2c(nc1Nc3cc(ccc3[N+]([O-])=O)F)N(C4CCOc5c(F)cccc45)C(=O)N2	490
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c(n(C4CCCCO4)nc3)cc2C(=O)O	6
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(=O)O)s3	1
+c1c(Oc2c3c(ncc2)cc(S(=O)C)s3)c(F)cc(N)c1	0
+c1cc(ccc1-c2sc3c(nccc3Oc4ccc([N+]([O-])=O)cc4F)c2)CO	4982
+c1c(Oc2cc3c[nH]nc3cc2)c(F)cc(N)c1	0
+c1c(Oc2cnc(O)cc2)c(F)cc(N)c1	0
+c1cc([N+]([O-])=O)cc(F)c1Oc2cnc(O)cc2	104
+c12cc(-c3cc(ccc3)[N+]([O-])=O)ccc1c(cn2-c4ncnc(c4)Cl)Br	2186
+c1c2c(ccc1-c3cc(N)ccc3)ccn2-c4ccnc(n4)N	0
+c1c(NC=2C=3C(=O)N(CC=C)N=C(c4cc(N)ccc4)C=3N(C(=O)C=2Cl)C)c(F)cc(I)c1	0
+c1ccccc1N2N=C3C(CCc4ccc(cc34)[N+]([O-])=O)CC2=O	10714
+c1c2c(OCCN2)cc([N+]([O-])=O)c1	15
+c1cc(ccc1)COC(=O)N(CCCN2C(=O)COc3cc([N+]([O-])=O)ccc23)c4cccc[n+]4[O-]	10715
+C1CC(n2nc(c3cc(N)ccc23)-c4[nH]c5c(cccc5)n4)OCC1	0
+c1cc(ccc1)COC(Nc2ccc(cc2)Oc3cnc(cc3)[N+]([O-])=O)=O	706
+c1ccccc1CNc2ccccc2-c3[nH]c(c(c3)C(N)=O)C	208
+c1cc(c(-c2coc(n2)CCCC(=O)O)cc1)N	4
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccccc3-c4sc(CC(OC)=O)cc4)=O)c2	50
+c1ccccc1CC(NC(=O)c2cccnc2-n3cc4ccccc4n3)C(O)C(=O)OCC	56
+c1cc(c(-n2cc3c(cccc3)n2)nc1)C(=O)O	6
+c1cc(c(cc1Br)COC)OCc2cccs2	49
+C=1c2c(c(C(=O)OC)cc(I)c2)OC(C=1)C	1318
+c1ccccc1C#Cc2cc(C(=O)OC)c(OCCC)cc2	129
+c1cc(ccc1F)C(O)c2c(C)cc(cc2)F	257
+c1cc(ccc1)Oc2cc(C)c(cc2)[N+](=O)[O-]	46
+c1cc(ccc1C)S(=O)(=O)Nc2c(C(OC)=O)cc(cc2)Oc3cc(C)c([N+](=O)[O-])cc3	46
+c1cc(ccc1C=O)Oc2cc(c([N+](=O)[O-])cc2)C	46
+n1(-c2ccc(c(C)c2)[N+]([O-])=O)ccnc1	431
+c1cc(c(C)nc1C)OCCOc2cc3CCC(CC(=O)O)c3cc2	3
+c1cc(c(cc1Br)CN(c2ncc(cc2)C(=O)OC)CC)OCc3cccs3	5045
+Nc1c(C(=O)O)c(c(cc1)[N+]([O-])=O)CC	5044
+c1cc(ccc1OCc2cc(Cl)c(cc2)Cl)C=O	139
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(N(S(=O)(=O)C)c4ccc([N+]([O-])=O)c(Cl)c4)cc3o2)C5CC5	3058
+c1cc(ccc1-c2ccc(c(Cl)n2)C#N)N	140
+c1c(Cl)nc(Cl)c(C(C)O)c1	652
+c1ccccc1Nc2c(ccc(Cl)n2)C(O)=O	201
+c1cc(c(F)c(Nc2c(F)cc(cc2)CCCO)c1C(=O)NOCCO)F	213
+c1cc(c(F)c(Nc2c(F)cc(C#CCO)cc2)c1C(=O)NOCCO)F	10716
+c1cc(c(F)c(Nc2ccccc2F)c1C(=O)NOCC(CO)O)F	1762
+O=C(c1ccc(cc1C)-c2ccc(c(F)c2)Nc3nc4c(cc(F)cc4)s3)O	1
+c1c(OCCCl)c(I)cc(c1)CCCO	267
+c1(c(N)c(Br)ccc1OC)N	0
+N1c2cccnc2NCC1=O	1530
+c1cc(ccc1Cl)NC(=O)c2c(SCc3c4c(cccc4)ncc3)nccc2	246
+c1ccccc1C(C)(C)c2cc(C(C)(C)c3ccccc3)c(O)c(c2)N=Nc4c([N+]([O-])=O)cccc4	10717
+c1(c2ncccc2ccc1C(=O)c3c(C)cc(F)cc3)[N+](=O)[O-]	335
+Nc1cc(ccc1O)CC(OC)=O	0
+Nc1cc(ccc1O)CCC	0
+n1cnc(Nc2c(Cl)cc(OC)c(OCc3c(F)c(ccc3OC)F)c2)c(c1Cl)[N+](=O)[O-]	73
+c1cc(c(c(F)c1OCC(OCC)=O)NCc2c(c(cc(-c3cc(F)ccc3)c2)C)O)F	5
+c1cc(c(c(F)c1OCC(=O)O)NCc2c(c(cc(-c3cc(F)ccc3)c2)C)C)F	3
+c1cc(c(c(F)c1OCC(=O)O)NCc2c(c(cc(-c3cc(F)ccc3)c2)C)O)F	3
+c1cc(c(c(F)c1OCC(=O)O)NCc2cc(OC)cc(-c3cc(F)ccc3)c2)F	3
+c1cc(C2=CC=C([Se]2)CCC)c(c(F)c1OCC)F	5046
+c1cc(ccc1)COC(N(C)CCCC(=O)Nc2c(N)c(ccc2OC)OC)=O	33
+c1cc(c(c(N)c1OC)N)OC	0
+c1ccccc1COc2c(ccc(C=O)c2Cl)OC	139
+c1cc2cc[nH]c2c(C)c1[N+]([O-])=O	1452
+c1cc(ccc1F)C(C(=O)NN=C2C(Nc3ccc(c(Cl)c23)C(O)=O)=O)C	4857
+c1c2c(c(N)c(Nc3cccc(C#N)c3)c1)cccc2	0
+c1c2c(NC(OCC2)=O)ccc1	10718
+c1cc(c(N2C=CC(Cl)=C(C#N)C2=O)cc1)C	10719
+c1cc(ccc1C(O)c2cc(ccc2OC)Br)Br	257
+c1ccccc1CC(NCc2cc(ccc2Oc3cccc(c3)CC(OC)=O)Br)C	42
+c1ccccc1CNCc2cc(ccc2Oc3cccc(c3)CC(OC)=O)Br	42
+c1cc(c(cc1Br)CN(c2ncc(C(=O)O)cc2)CC)OCc3cccs3	1
+c1cc(c(CO)cc1Br)OCc2cccs2	88
+c1cc(c(cc1C(CCC(=O)N)=NOC)Cl)Cl	5047
+OCC(CCOC1OCCCC1)c2ccc(c(c2)Cl)Cl	237
+c1cc(c(cc1C(CCC#N)=NOC)Cl)Cl	143
+c1cc(c(cc1CN2C(CCNc3nc4c(c(O)c3)cccc4)CCCC2)Cl)Cl	460
+c1cc(c(cc1CN2C(c3cc(N)ccc3N=C2)=O)Cl)Cl	0
+c1cc(c(cc1CN2CCOC(C2)CNC(=O)CSc3scc(n3)CO)Cl)Cl	1171
+n1c(SCC(=O)NCC2CN(CCO2)Cc3ccc(c(c3)Cl)Cl)scc1C=O	1348
+c1cc(c(cc1Cn2c3c(c(c(cc3)OC)O)cc2C(OC)=O)Cl)Cl	173
+c1cc(F)cc(c1C(c2ccc(F)cc2C)=C(C=CC=O)c3n(C)nnn3)C	5019
+C1C(Nc2cc(ccc12)F)=O	1089
+c1cc(c(CO)cc1I)OC	41
+c1ccccc1OCc2cc(ccc2Br)I	139
+C1N(C(=O)c2c(cc(I)cc2)OC)c3c(Cn4c1ccc4)cccc3	610
+Nc1cccnc1NC	13
+c1ccccc1COc2c3NC(=O)Sc3c(cc2)C(C)=O	22
+c12occ(C)c1c(ccc2C(=O)c3sccc3)O	5
+C1C(C)=Cc2cccc(-c3ncccc3)c12	4262
+c1cc(c2c3c(n(c2c1)Cc4c5ccccc5ccc4)cccc3OCC(O)=O)C(=O)N	4
+COc1cccc2nccc(c12)O	3005
+c1cc(ccc1)CNC(=O)N(CC)Cc2cc(-c3cnn(c3)C)ccc2-c4c(OC)ccc(c4)CC(OCC)=O	384
+c1cc(ccc1)COC(N(Cc2c(ccc(c2)[N+]([O-])=O)-c3c(OC)ccc(CC(OCC)=O)c3)CC)=O	66
+c1cc(ccc1)COC(=O)N(CC)Cc2cc(F)ccc2-c3c(OC)ccc(CC(OCC)=O)c3	66
+c1(O)cccc(-n2ncc3c2cccc3)c1	5
+c1cc(CN)cc(Br)c1OC	107
+c1cc(CO)cc(Br)c1OC	49
+c1cc(ccc1CN2C(=O)N(CC(c3ccc(OC)c(c3)Br)=O)C(c4c2sc(c4)CC)=O)-c5c(C#N)cccc5	1833
+c1c(OC)c(Br)cc(c1)O	173
+c1cc(cc(c1OCC#C)C(=O)O)C(=O)C	1
+c1cc(cc(C)c1Oc2cnc(C)cc2)Nc3ncnc4c3C=C(C(=O)O)CCN4	127
+c1cc(CO)cc(CCCCCC)c1OC	98
+Nc1cccnc1Nc2cc(F)c(cc2)C#N	13
+c1cc(-c2cc3nc(cnc3c(C(=O)OC)c2O)-c4sccc4)cc(F)c1F	5
+c1cc(cc(F)c1Oc2cc3c[nH]nc3cc2)Nc4nc(ncc4)N	511
+c12cc(ccc1NC(=O)N2)C	2280
+c1cc(cc(N)c1OC)CCCO	374
+c1cc(ccc1)N2C(C(Nc3ncnc(N)c3C(Nc4cc(ccc4OC)C(N)=O)=O)C)=Nn5ccc(c5C2=O)C	40
+Cc1cc(n[nH]1)Nc2c3ccccc3nc(n2)C(=O)c4cc(c(F)cc4)O	5
+c1cc(cc(OCCCOC)c1OC)C(=O)O	1
+c12ccccc1CC(c3ccc(cc3O2)F)=O	214
+c1c(N)c(ccc1C2=CC(=O)c3ccc(c(c3O2)OC)OC)N	0
+c1cc(c([N+]([O-])=O)cc1CC(OC)=O)O	5
+c1cc(F)cc(N)c1OC	0
+c1(SC)ccc(cc1N)C(Nc2cnc(cc2)-c3ccccc3F)=O	0
+c1cc(cc(c1)-c2ccc(F)c(c2)CNc3c(C#N)c(O)ccc3F)F	5
+C(Oc1ccc(c(c1C)NCc2c(F)ccc(c2)-c3cc(ccc3)F)F)C(=O)O	3
+c1cc(cc(c1)F)-n2c(C(O)=O)c(c3ccccc23)C#N	1
+c1cc(cc(c1)F)-n2c(C(N)C)cc3ccccc23	18
+c1cc(ccc1)COc2c(cc(cc2)C=CC(c3c(O)cc(cc3)OCOC)=O)OCOC	307
+C1CCC(C1)c2c(OC)ccc(F)c2	191
+c1cc(ccc1)C#CC(c2cc(F)ccc2OC)O	1471
+c1cc(O)c(cc1C2C(CC(OC)=O)C2)F	5
+c1cc(ccc1CC2(CCN(CC2)CC(Cc3cc(c(OC)cc3)F)O)O)C	170
+c1cc(ccc1NC(=O)C)SCCCOc2cc(ccc2OC)Cc3cnc(nc3N)N	72
+c1cc(ccc1CNC(CCc2ccc(OCC#C)c(OC)c2)=O)C(OC)=O	68
+c1cc(cc(c1OCC#C)OC)CCC(=O)O	3
+c1(c(N)ccc(Oc2ccc(cc2C#N)F)c1)C	0
+c1cc(cc2C(Oc3cc(OCC(OC)=O)ccc3)CCc12)-c4cc(ccc4)F	20
+c1cc(cc2C(Oc3cc(OCC(=O)O)ccc3)CCc12)-c4cc(ccc4)F	4
+C(c1ccc2c(ccc(F)c2)c1)O	611
+C(c1ccc2cc(OC)ccc2c1)O	49
+c1cc(C(=O)O)cc2ccnn12	1
+c1ccccc1-c2c[nH]c(n2)C(N)C	102
+C1CC(CCC1C(O)=O)c2ncc(-c3ccccc3)[nH]2	4
+c1cc(ccc1)-c2c(C(O)=O)cc[nH]2	6
+c1cc(ccc1)-c2c3cc(c(C)cc3[nH]n2)N	0
+c1cc(ccc1)-c2c(cccc2)-c3c(c(CC=C)cc(F)c3)O	423
+c1cc(ccc1F)-c2c(c(C(=O)NCc3ccc(cc3)F)n(c2C=O)C(C)C)-c4ccccc4	81
+c1cc(ccc1)-c2c(-c3ccccc3)nc(N(C(C)C)CCCCOCC(=O)NS(=O)(=O)c4ccc(cc4)C)cn2	344
+c1cc(ccc1)-c2c(C(=O)Nc3ccc(cc3)S(=O)(=O)N4c5ccccc5SC(C=C4)CCO)cccc2	50
+c1cc(ccc1)-c2c3cc(ccc3nc(c2C(=O)O)CC(C)C)Br	1
+c1cc(ccc1)-c2c(nc3c(cc(F)cc3)c2C(=O)O)C(C)Nc4c(c(N)ncn4)C#N	1
+c1cc(ccc1)-c2cc3CCCCn3c2C(=O)C(Nc4ccc(cc4)N5CCN(CC5)CC(=C)C)=O	2678
+C1Oc2ccc3-c4ccccc4C(=O)c3c2C1	358
+c1ccccc1-c2c(ccc(S(=O)(=O)C)c2)C(OC)=O	992
+c1ccccc1-c2c(C(OC)=O)c3cc(F)ccc3nc2C(N)C	18
+c1cc(ccc1)-c2nc3c(c(c2C)C(=O)NNc4ccccc4)cccc3	898
+c1cc(ccc1C=O)Oc2c(-c3ccccc3)c(C)cc4cc(ccc24)OC	46
+c1cc(ccc1)-c2c(C)n(-c3ccc(cc3)CCNC(Oc4ccccc4)=O)nc2C	101
+c1cc(ccc1)-c2c(C)nn(-c3ccc(cc3)CCN)c2C	18
+c1ccccc1C(Nc2cnc(c(C3=NN(C(C)C)C(=O)C=C3)c2)-c4ccccc4)=O	660
+c1ccc(Cl)c2c1-c3ccccc3C(=O)CCC2	94
+c1ccccc1-c2nc3c(c(C(O)=O)c2CN=[N+]=[N-])cccc3	1
+c1cc(ccc1)-c2c(COc3ccc(cn3)C(=O)O)c(on2)C	1
+c1cc(ccc1)COC(=O)c2nc(Cc3c([nH]c4cc(ccc34)OC)-c5ccccc5)ccc2	470
+c1cc(ccc1)-c2c(cc(cc2)N)Cl	0
+c1cc(ccc1)-c2ccc(cc2F)-c3noc(-c4ccc(cc4)CO)n3	910
+c1ccccc1-c2c(F)cc(O)c(c2)C(=O)NCc3cc(ccc3)[N+](=O)[O-]	5
+c1cc(ccc1)-c2c(N)nc3ccc(C(O)=O)cn23	1
+c1cc(ccc1)-c2c(N)nc3ccc(cn23)C(c4ccc(cc4)F)=O	3060
+c1ccccc1-c2c3n(c(nc3ccc2)-c4ccccc4)-c5ccccc5C(C)C	10720
+c1cc(ccc1)-c2nc3c(nc2)cc(c(O)c3C(O)=O)-c4ccccc4	1
+c1(cc2c(cc1)c3c([nH]2)cccc3)C#N	1223
+c1ccccc1-c2c(c3c(c(c2C)C#N)nc(o3)CN(C(=O)OCc4ccccc4)C)F	1824
+c1ccccc1C(CC)NC(c2c(c(-c3ccccc3)nc4ccccc24)CN)=O	18
+c1cc(ccc1)-c2c(c(C#N)c(N)c(O)c2F)C	5
+C1CC(CCC1)Nc2cccc(-c3ccccc3)c2CN	107
+c1cc(ccc1)-c2ccnc(c2N)N	13
+c1ccccc1-c2c(c(on2)C)-c3nc(CO)n(-c4ccc(cc4)[N+]([O-])=O)c3	118
+c1cc(ccc1)-c2c(c(on2)C)COc3ccc(C(O)=O)nn3	6
+c1ccccc1-c2ccc(I)cc2O	5
+c1cc(ccc1)-c2c(N)cc(OC)cc2	0
+c1cc(ccc1)-c2c(cc(O)cc2)[N+](=O)[O-]	5
+c1cc(ccc1)-c2ccc(cc2Cl)N=C=S	1034
+O=S(=O)(c1c(c([N+]([O-])=O)cc(C(O)=O)c1)-c2ccccc2)N	10721
+c1cc(ccc1)C(N2CCN(CC2)c3c(-c4ccccc4)nnc(O)c3)=O	115
+c1ccccc1-c2c(-c3cc(F)cc(c3O)C=CC)cccc2	4606
+c1cc(ccc1)-c2c(cccc2)Cn3c4nc(SC)nc(OCC(=O)O)c4c(c3CC)C(=O)C(N)=O	4
+c1cc(ccc1)-c2nc3c(c(O)ccc3nc2NCc4ccccc4)C(=O)NCC(O)=O	3
+c1cc(ccc1)-c2c(ncc(N(CCc3cc(O)ccc3)C)n2)-c4ccccc4	16
+C1CCCCC1c2ccc3nc(C)c(n3c2)-c4sc(c(-c5ccccc5)n4)C(=O)OCC	671
+c12c(cccc1)C(=O)N(C2=O)Cc3c(C(=O)OCC)c(-c4ccccc4)c5cc(Cl)ccc5n3	10722
+c1ccccc1-c2nn(C)c3C4(c5ccccc5)C=C(C#N)C(C(C4CCc23)C)=O	10723
+c1cc(ccc1)-c2c3c(ncnc3oc2-c4ccccc4)NCCc5ccc(cc5)NC(Nc6ccccc6)=O	124
+c1ccccc1-c2c(CO)c(CC(C)C)nc3c2cc(cc3)Br	382
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(=O)Nc5cc(ccc5C)N)n2	0
+c1cc(ccc1)-c2cc(N(c3ccnc(SC)n3)C)cc4c2[nH]cn4	10724
+c1ccccc1-c2c(cc(c(C(=O)O)c2)OC)F	1
+c1ccccc1-c2cc(NC(=O)c3ccc(cc3)OCc4ncccc4)c(C)cc2	50
+c1ccccc1C(Nc2cc(-c3ccccc3)ccc2C(=O)O)=O	1
+c1cc(ccc1O)CC2=Nc3c(N(c4cccc(c4)-c5ccccc5)C2=O)nccc3	5048
+c1cc(ccc1)-c2cc(S(=O)(=O)Nc3ncc(Cl)cc3O)cnc2	390
+c1ccccc1-c2cc(N)cc3cn(nc23)C	0
+c1cc(ccc1)-c2cc(cc(N)c2)C(OC)=O	0
+c1cc(ccc1)-c2ccc(C(=O)OC)c(N)c2	0
+c1cc(ccc1)-c2cc(C#Cc3ccccc3)c(OC)cc2	129
+c1ccccc1-c2cc(CO)c[nH]2	351
+O=S(=O)(n1cc(C(=O)OCC)cc1-c2ccccc2)c3ccc(cc3)OC	917
+c1ccccc1-c2c3ccc(O)cc3cc(C(=O)O)c2	1
+c1cc(ccc1)SCc2cc3cc(ccc3c(-c4ccccc4)c2)O	2722
+c1cc(ccc1)-c2cc(-c3ccc(cc3)OCC(=O)O)nc4ccccc24	4
+c1cc(ccc1)-c2cc3c(cc2)CC(C(c4ncco4)O)CC3	10725
+O=S(=O)(n1cc(Br)c2c1ncc(-c3ccccc3)c2)c4ccc(cc4)C	276
+c1cc(ccc1)-c2oc3c(cccc3)c2C(c4ccc(cc4)OC)=O	3102
+c1cc(ccc1)-c2cc3ncnc(Nc4cc5c(c[nH]c5cc4)C)c3s2	4374
+c1cc(ccc1)-c2ccc(-c3c4nc(C5CCC(CC5)CC=6OC(=O)NN=6)cc(N)n4nc3)cn2	10726
+c1cc(ccc1)-c2ccc(cc2CO)Br	611
+c1cc(ccc1)-c2cc(NC(c3ccccc3)=O)c(cc2)C(=O)OC	50
+c1cc(ccc1)-c2ccc(c(Oc3ccc(cc3)C#N)c2)[N+]([O-])=O	46
+c1cc(ccc1OC)Oc2c([N+](=O)[O-])ccc(-c3ccccc3)c2	46
+c1cc(ccc1)-c2ccc(c(c2)Oc3ccc(cc3)C#N)N	0
+c1cc(ccc1)-c2c(C=O)cc(cc2)Br	39
+c1cc(ccc1-c2nc(-c3ccc(-c4ccccc4)c(Cl)c3)on2)CO	2185
+c1cc(ccc1)-c2ccc(cn2)-c3nc(CCOc4cc(C)c(CCC(O)=O)cc4)c(o3)C	4
+c1ccccc1-c2ccc(cn2)N	13
+c1c2c3c(cccc3)c4c(c2ccc1OC)cccc4	5049
+C1CN(CCN1c2ccccc2)Cc3ccccc3-c4ccccc4	48
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)CCCO)cnc23	213
+c1ccccc1CNCc2ccc(cc2)-c3cnc4n(ncc4-c5ccccc5)c3	42
+c1cc(ccc1)-c2cnn3cc(cnc23)-c4ccc(cc4)CCC=O	24
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)C=O)cnc23	537
+C1C(CC1)(CO)Cc2nc(-c3ccccc3)cs2	118
+c1ccccc1-c2c3c(cc(OC)cc3)sc2C(c4ccccc4)=O	10727
+c1cc(ccc1)-c2n(cnc2C(=O)OCC)C3CCCCC3N	18
+c1cc(ccc1)-c2c(ncn2C3C(CCCC3)NC(OCc4ccccc4)=O)C(=O)OCC	101
+CC(C)N(Cc1ccccc1)C(=O)CN2C(=O)Cc3n(-c4cc(F)c(cc24)F)c(-c5ccccc5)nn3	4342
+c1cc(ccc1)-c2nc(C(O)=O)c3CN(CCCn23)C	6
+c1ccccc1-c2c(c(c3n2ccc(Br)c3)C(=O)O)Cc4cccc(c4C)F	1
+c1cc(ccc1)-c2nc(c(C(CCC)C(=O)O)c(C)n2)-c3ccc4N(CCc4c3)C	4
+c1cc(ccc1)-c2nc(N3CCCCCC3)c(C(CCC)C(O)=O)c(n2)C	4
+c1cc(ccc1-n2cc(nc2CC)-c3ccccc3)CCN	18
+c1cc(ccc1)-c2nc(CCNC(=O)c3n(C)ncc3C(=O)O)c(C)o2	6
+c1cc(ccc1)-c2nc(COc3ccc(cc3)Sc4nc(-c5ccccc5)c(CCC(OC)=O)s4)c(C)o2	547
+c1cc(ccc1)-c2nc(CNc3nc4c(nc3)cccc4)[nH]c2	5050
+c1ccccc1-c2oc(C)c(n2)COc3cccc(COc4nn(Cc5ccccc5)cc4C(OCC)=O)c3	4594
+c1cc(ccc1)-c2nc(COc3ccc(cc3)Sc4nc(c(CCC(=O)O)s4)-c5ccccc5)c(C)o2	4
+c1ccccc1-c2nc(Sc3ccc(cc3)O)sc2CCC(OC)=O	10728
+c1ccccc1-c2cc(C(=O)OC)cc(n2)O	700
+c1cc(ccc1C=CC(=O)OC)-c2cc(nc(NC(CCC(c3ccc(OCC)c(c3)OCC)=O)=O)c2)-c4ccccc4	699
+c1cc(ccc1)-c2nc(nc(n2)N3CCC(CC3)C(NCc4ccc(cc4)Cl)=O)NC	9
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(=O)O)n2	744
+c1cc(ccc1)-c2c(nnc(n2)N)-c3cc(O)cc(Cl)c3	5
+c1cc(ccc1)-c2c(oc(n2)C)-c3ccc4n(c3)c(nn4)C(C)C	757
+c1cc(ccc1)-c2nc(sc2)C(O)=O	6
+c1cc(ccc1)-c2c(O)c(C(NC(c3ccccc3)CC)=O)c4ccccc4n2	14
+c1cc(ccc1)-c2nc3n(n2)ccc(NC(=O)c4n(Cc5ccccc5)ncc4C(O)=O)c3	6
+c1cc(ccc1)-c2ncc(cc2)C(O)=O	6
+c1cc(ccc1)-c2ncc(C(C)C)cc2	1747
+c1cc(ccc1)OC(=O)Nc2cnc(cn2)-c3ccccc3	2205
+c1cc(ccc1)C#Cc2c(-c3ccccc3)nn(CC(OCC)=O)c2NC(=O)C	1249
+c1cc(ccc1Br)-c2cnc(NN)nn2	10729
+c1ccccc1-c2cc3c(cccc3nn2)C	3149
+c1cc(ccc1)-c2nnn(c2)-c3ccc(cc3C#N)-c4nccc(C(O)=O)c4	1
+c1cc(ccc1)-c2noc(C)c2-c3oc(-c4ccc(-n5ccnc5)cc4OC)nn3	431
+c1cc(ccc1)-c2noc(C)c2-c3nnc(o3)-c4c(cc(N)cc4)OC	0
+c1cc(ccc1)-c2c(COc3ncc(C(=O)OC)cc3)c(on2)C	91
+c1cc(ccc1)-c2c(COc3ccc(nn3)Cl)c(on2)C	485
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CON=C(C(O)=O)c4cnccc4	3
+c1ccccc1-c2nc(C3CCCC3Cc4cc(ccc4)C(=O)N)oc2-c5ccccc5	10730
+c1cc(ccc1)-c2c(-c3ccccc3)nc(o2)C=4C(Cc5cccc(NC(=O)NC(c6ccccc6)=O)c5)CCCC=4	2462
+c1cc(ccc1)-c2nc(C)c(CCO)o2	44
+c1cc(ccc1)-c2oc(c(C)n2)CCOc3cc4c(cc3)C(CC4)CC(=O)O	3
+c1cc(ccc1)-c2oc(c(n2)CCO)C	88
+c1cc(ccc1)-c2c(nc(C=3C(CCC=3)Cc4cc(ccc4)C(O)=O)o2)-c5ccccc5	1
+c1cc(ccc1)-c2c(C(=O)c3ccc(cc3)O)c4ccccc4o2	5
+c1cc(ccc1)C(c2c(sc(-c3ccccc3)c2)N)=O	5051
+c1cc(ccc1)-c2sc(C)c(n2)CCN	18
+c1ccccc1CC(C(C(OCC)=O)O)NC(=O)c2cccnc2-c3nc(sc3)-c4ccccc4	2896
+c1ccccc1-n2nc(c(C)c2N)C(O)=O	6
+c1ccccc1-n2nc(cc2-c3cccc(c3)CCC)NC(=O)C45CC4C(NC5)=O	3157
+c1ccccc1-n2c(C=3C(C(=CN(c4ccc(cc4F)O)N=3)OC)=O)ccn2	16
+c1cc(ccc1)-n2c3c(cc(N)cc3)cc2C(=O)OCC	0
+c1ccccc1-n2c(nc3cc(-c4nc5ccccc5o4)ccc23)C	1328
+c1cc(ccc1)-n2ncc3c(ncnc23)NN=Cc4ccc(cc4)C(=O)O	878
+c1ccccc1-n2cc(C#N)c(-c3oc([N+](=O)[O-])cc3)n2	4558
+c1cc(ccc1)-n2nc3ncc(N)cc3c2	13
+c1ccccc1-n2c3cc(CO)ccc3nc2	98
+CN(C)C(=O)c1nn(nc1C(=O)O)-c2ccccc2	1
+c1cc(ccc1)-n2nc(cc2NC(=O)c3c(Cl)cc(Cl)c(c3)-c4ccccn4)C(=O)O	6
+c1ccccc1-n2cnc(n2)C(NC3CN(c4nccn5ccnc45)CC3)=O	855
+c1ccccc1-n2nc3ncc(NS(=O)(=O)c4ccccc4)cc3c2	322
+c1ccccc1-n2c(N)ccn2	2257
+c1cc(ccc1)-n2c3CCCC(CC(O)=O)c3cn2	3
+c1cc(ccc1)C2C(N3C(C4N(CCN(C4)C(Nc5n(-c6ccccc6)ncc5)=O)C3=O)=O)C2	437
+c1cc(ccc1)-c2sc(NC(C)=O)c(C(c3ccccc3)=O)c2	268
+c1cc(ccc1)-c2nn(c3c2CCC4C(C(=O)CCC34c5ccccc5)C)C	1624
+c1cc(ccc1)-c2nc(OCc3ccccc3)cc(C(OC)=O)c2	140
+c1cc(ccc1)COc2cc(cc(c2)CC(OCC)=O)-c3ccccc3	11
+CC(C)(c1ccc(cc1)-c2ccccc2)C(NC)C(O)=O	11
+c1cc(ccc1CC(C(OCC)=O)CP(C(NC(=O)OCc2ccccc2)C)(=O)O)-c3ccccc3	11
+c1cc(ccc1CN2C(=NC(=C(c3ccccc3)C2=O)C)SCC)-c4c(C#N)cccc4	1100
+c1ccccc1-c2nnc(Cc3ccc(cc3)OC)c4ccccc24	519
+c1ccccc1-c2cnc(N)cc2	89
+c1cc(ccc1)-c2cc3c(NC(C3)=O)cc2	11
+c1cc(ccc1)C=2c3ccccc3C(=O)OC=2C(O)C	10731
+c1ccccc1-c2nc(ncc2-c3ccccc3)N	10732
+c1ccccc1-c2cnc3cc(c(OC)c(c3n2)C(OC)=O)-c4ccccc4	495
+C1CC(CCN1CC=Cc2ccccc2)NC3=CC(=O)Oc4ccc(-c5ccccc5)cc34	11
+c1ccccc1-c2cc3c(nc2)N(C(=O)C(=C3O)C(OCC)=O)OCc4ccccc4	89
+c1nc(ncc1)N2CCN(CC2)C(=O)Cn3c(-c4ccccc4)nc(c3Br)Br	1795
+c1ccccc1-c2c3c(n[nH]2)cnc(-c4cccnc4)c3	1196
+c1ccccc1-c2nc(Cl)c(c(n2)Cl)N	2294
+c1cc(ccc1)-c2ncnc(c2)Cl	198
+c1ccccc1-c2nn3c(cc2)ncc3[N+]([O-])=O	519
+c1cc(ccc1)-c2cnc3n(cc(-c4cc(ccc4Cl)NC(c5oc(cc5)C)=O)n3)c2	537
+c1ccccc1-c2c(c(Cl)c3c(nccc3)n2)C	140
+c1ccccc1-c2sc3c(C#N)cnc(NC4C(NC(C)CC4)C)c3c2	10733
+c1ccccc1C2N(C(OCc3ccccc3)=O)CCN(c4ccccc4)C2	79
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3cc4c(NC5CCN(c6ccccc6)C(=O)C5)ncnc4cc3	654
+c1ccccc1Nc2ccccc2OC	230
+c1ccccc1COc2c(cnc(C)c2OC)C(NCc3ccc(cc3)F)=O	10734
+c1ccccc1Oc2nc(c(C)c3n(CCOCC#Cc4ccccc4)c(C)nc23)C	1244
+c1ccccc1CCCOCCn2c3c(C)c(nc(N)c3nc2C)C	213
+c1cc(ccc1)-c2[nH]c3c([N+]([O-])=O)cc(C)cc3c2	2292
+c1cc(ccc1)C#Cc2c(n[nH]c2N)C	1670
+c1ccccc1S(=O)(=O)n2c3c(c4c2ncc(Cl)c4)cc(cc3)CCc5ccccc5	1702
+c1cc(ccc1)C#Cc2ccccc2C(OC)C#Cc3ccc(cc3)OC	121
+c1ccccc1C(=C2C(=O)N(c3ccccc23)C(C)=O)Nc4ccc(cc4)CC(=O)OCC	5052
+c1ccccc1C(Nc2ccc(cc2)N(C)C(=O)C)=C3C(=O)N(c4ccccc34)C(C)=O	5052
+c1ccccc1C(CC(=O)OCC)c2cc(OC)cc3c2cc[nH]3	5053
+c1cc(ccc1)C(=O)C=Cc2ccc(cc2)C(=O)O	307
+c1cc(ccc1)C(CCc2ccc(cc2)C(=O)O)=O	2301
+c1ccccc1Cn2c3c(cc2-c4ccccc4)CN(CC3C)Cc5ccccc5	4541
+c1ccccc1C(CCN2CCC(CC2)CCCc3ccccc3)=O	1644
+c1cc(ccc1)C(=O)CCN2CCN(CC2)c3cc(F)c(cc3F)O	5
+c1cc(ccc1)C(=O)N(C)C(Cc2ccccc2)CCN	51
+c1c(N)cc(cc1)C=CCCNC	5054
+c1ccccc1C(=O)N(C)CCOc2ccc(cc2)C=O	57
+CC(C)(O)c1nc(N2CC3CSC(=N)NC3(C2)c4cnccn4)ncc1F	5055
+c1(c(F)c(ccc1)C23C(C(CF)OC2)CSC(N)=N3)F	10735
+FC(F)(C1C2CSC(NC2(CO1)c3c(F)ccc(NC(c4cnc(cn4)-n5ncnc5)=O)c3)=N)C	5055
+c1cc(ccc1C2CCCN2c3cc(NC(=O)N)ncc3)F	10736
+c1cc(ccc1)COc2c(NC(=S)NC(=O)c3ccccc3)nccc2	1780
+c1ccccc1C(NC(=S)Nc2cc(cc(Br)c2)OCc3ccccc3)=O	865
+c1cc(ccc1-c2nc(C)ns2)NC(=S)N	3098
+c1cc(ccc1)C(=O)NC(=S)Nc2ccc(cc2)F	865
+c1cc(ccc1)C(=O)NC(=S)Nc2ncc(cc2Oc3ccc(cc3)C#N)Br	1780
+c1ccccc1C(NC(Nc2ccccc2OCCC)=S)=O	865
+S=C(N)NCc1nc2c([nH]1)cccc2	2806
+c1ccccc1C(NC(Nc2ncc(cc2Oc3ccccc3)Cl)=S)=O	1780
+n1c2c(cccc2)c([nH]1)C=Cc3c(cccc3)NC(N)=S	3098
+c1cc(ccc1NC(=S)N)F	401
+c1cc(ccc1C#N)Oc2c(ncc(Br)c2)NC(=S)N	401
+C1COCCC1c2ccc(c(NC(N)=S)c2)OC	401
+NC(=S)Nc1cccc(-c2nccc(OC)c2)c1	401
+C(c1c(cc(C)cc1)NC(N)=S)CC	401
+c1cc(ccc1)C(=O)N=C2SCC3C(COC3C(F)(F)C)(N2)c4c(F)ccc(NC(c5cnc(cn5)-n6ncnc6)=O)c4	10737
+C1SC(=NC2(C)C1COc3c2ccc(c3)F)N	10738
+c1cc(ccc1)C(NCCc2cc3c(cc2)[nH]c4ncc(cc34)Cl)=O	5056
+c1cc(ccc1)C=2c3ccc(cc3CCN=2)OC	1753
+c1cc(ccc1)C(OCC(=C)CCO)=O	1974
+c1cc(ccc1)C(OCc2nc(cs2)-c3ccc(cc3)C(O)=O)=O	963
+c1cc(ccc1OCCCOc2c(cc(cc2Cl)O)Cl)-n3c(SC(C)C)nnn3	818
+CC(C)(CCCc1ccc2cc(c(cc2c1)N3S(=O)(=O)NC(=O)C3)O)CO	818
+c1cc(ccc1)C(c2c(ccc(c2)F)NC(=O)n3cncc3)=O	10739
+c1cc(ccc1)C(c2c(ccc(Br)c2)O)O	488
+c1c2c(ccc1)C(=O)N(C2=O)Cc3nccn3-c4ccc(cc4C(=O)c5ccccc5)Br	4543
+c1ccccc1-c2onc3c2cc(C)cc3	3159
+c1cc(ccc1)C(=O)c2ccc(C(Nc3cc(C=CC(=O)O)ccc3)=O)o2	108
+c1ccccc1C(c2cc3nccnc3cc2)O	488
+c1cc(ccc1)Cc2cccc(c2)C(O)=O	394
+c1cc(ccc1)C(=O)c2cc(C(=O)N3Cc4ccoc4CC3)ccc2	30
+c1cc(ccc1)Cc2cccc3ccccc23	394
+c1cc(ccc1)C(c2noc(CSc3ccccc3)n2)=O	10740
+c1ccccc1-c2sc3cc(c(C(=O)OC)cc3n2)OC	2179
+c1cc(ccc1C=CC(=O)C(CC=Cc2c(C)cccc2)c3ccccc3)Cl	964
+c1cc(ccc1CC(c2ccccc2)C(C)O)Cl	100
+c1ccccc1C(C2CCCCC2)CO	95
+c1ccccc1C(CO)CC=C	44
+c1ccccc1C(C(c2ccccc2)OC(C3CCCCC3Cc4cc(OC)ccc4)=O)=O	4231
+CC(C)(C(=O)C)C(c1ccc2n(-c3ccc(cc3)F)ncc2c1)c4ccccc4	86
+c1cc(ccc1)-c2c3c(n[nH]2)cc(cc3)C(c4ccccc4)C(C)(C)C(O)=O	4
+c1ccccc1CNC(C(C)O)c2ccccc2	42
+c1cc(ccc1)C(C(c2cccc3ccccc23)O)CNC	1925
+c1cc(ccc1)C(C)(C)NC(=O)c2cc3c(n(C(=O)OCC)nc3NC(=O)c4ccccc4N)s2	0
+c1cc(ccc1)C(C)(CO)CCCCBr	44
+C1(c2c(C(=O)N1CCCCCC(C)(c3ccccc3)CO)cccc2)=O	966
+c1ccccc1C(CCC(N)CO)C	191
+O=C1c2ccccc2C(C)C1	214
+c1cc(ccc1C)S(=O)(=O)OCC(C)c2ccccc2	36
+c1cc(ccc1)C(C)N2CC(CC2=O)CC(C(=O)O)C	4
+c1cc(ccc1)C(N2C(CC(CC(C)CO)C2)=O)C	21
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5cc(NC(NC(c6ccccc6)C)=O)ncc5c(n4)NCC	10741
+c1cc(ccc1)C(C2COCCN2Cc3sc4c(C(C(C(NCc5ccc(cc5)Cl)=O)=CN4CCOC)=O)c3)O	822
+c1ccccc1COc2c(cc(cc2)OCc3ccccc3)OCC(=O)c4ccccc4	702
+c1cc(ccc1C(=O)CCC(c2ccccc2)=O)OC	10742
+c1cc(ccc1-c2nc(-c3ccccc3)cs2)Br	1741
+c1cc(ccc1Cn2c3ccccc3nc2CC4CCN(CC4)CCNc5nc(cs5)-c6ccccc6)F	354
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OC)-c4c(n(nc4)C)NC(CC(C)c5ccccc5)=O	195
+CC(C)CC(C(=O)NC(CO)C(O)C(O)C(O)C(=O)NC(c1ccccc1)CC(N)=O)N	334
+c1ccccc1C2CC(c3c(C2)c(OC)ccc3)=O	214
+c1cc(ccc1)C2Cc3c(C(=O)C2)ccc(OC)c3OC	214
+c1ccccc1C(c2cc(ccc2)OC)CCO	95
+c1cc(ccc1)C(CC(OCC)=O)Nc2c(ccc(C#N)n2)N	13
+c1cc(ccc1O)NC(=O)C(c2ccc(cc2)O)=C(c3ccccc3)CC	241
+c1cc(ccc1)C(C)(CC=C)CO	237
+c1cc(ccc1)C(=O)CCCn2c3c(cnc4c3cccc4)nc2	155
+c1cc(ccc1Br)CN2C(C3(CCN(CC3)CCC(O)c4ccccc4)CC2)=O	74
+c1cc(ccc1)C(O)CCc2c(C(OC)=O)cc3nc(C)n(c3c2O)CCOC	74
+c1ccccc1C(CCc2cccc(OC)c2)N	18
+c1cc(ccc1)C(CCc2cc(OC)ccc2)N=[N+]=[N-]	841
+c1ccccc1NCC(N(C)C(CN2CC(OCCOCCOCCOCCOCCOC)CC2)c3ccccc3)=O	10
+c1cc(ccc1)-c2oc(-c3ccc4nc(C)[nH]c4c3)nc2	10743
+c1cc(ccc1)C(CNCCO)Nc2cc(-c3ccc4c(c3)c(F)[nH]n4)cnc2	15
+c1ccccc1C(CC(OCC)=O)Cc2ccc(cc2)OC	10744
+c1ccccc1C(F)(F)C#N	143
+c1ccccc1C(F)(F)C(F)(F)c2c(CO)cccc2	49
+c1cc(ccc1C=O)-c2cc(CN(C(c3ccccc3)=O)C)ccc2	11
+c1ccccc1C2N(Cc3ccccc3)C(=O)COC2C	467
+c1ccccc1C(Nc2nccc(-c3c(c[nH]c3-c4ccc(cc4)F)C5=CCN(C(OCC=C)=O)CC5)c2)C	182
+c1ccccc1C(N)COC(F)F	45
+c1ccccc1C(C2CC(N(C2)C(c3ccccc3)C)=O)O	74
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)[N+]([O-])=O)C	20
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)N)C	0
+c1cc(ccc1S(=O)(=O)OCCC2CCN(CC2)C(c3ccccc3)=O)C	1312
+C1CC2(CCN1)Cc3ccccc3C2=O	5054
+c1-2ccccc1NCCc3nc(C)[nH]c-23	10745
+c1cc(ccc1)COC(=O)NC(CC(C)C)C(=O)NC(C(O)C(O)C(C(=O)NC(c2ccccc2)CC(=O)O)O)CO	1403
+c1cc(ccc1)C(NC(=O)Cc2ccc(cc2)OCC(c3c(nccc3)C)O)c4c(cc(C)cc4)C	652
+NC(=S)Nc1nc(ccc1)C	401
+CC(C)S(=O)(=O)NC1CCC(CC1)CNC(N)=S	401
+C1COCCN1c2ccc(OC)c(NC(=S)N)c2	401
+C1CN(CCO1)c2cc(NC(=S)N)c(cn2)OC	401
+NC(=S)Nc1nc(ccc1)Br	401
+c1cc(ccc1)C(NC(CC(=O)OCC)c2cccc(N)c2)=O	0
+O=S(=O)(c1cc(N)ccc1)Nc2cccc(c2)C(NC(=O)c3ccccc3)CC(OCC)=O	0
+c1ccccc1-c2nnc(o2)CCC(OC)=O	877
+c1ccccc1C(=S)Nc2c(Cl)c(ccc2)C	581
+c1cc(ccc1)C(Nc2nccc3c2ccc(c3)CN=[N+]=[N-])=O	925
+c1cc(ccc1)C(Nc2c3c(ccn2)cc(CO)cc3)=O	41
+c1ccccc1C(CN)Nc2cncc(c2)Br	45
+c1cc(ccc1)C(Nc2c3ccc(cc3ccn2)CN)=O	18
+c1ccccc1C(O)(C)CCOS(=O)(=O)c2ccc(cc2)C	36
+c1ccccc1-c2nc(-c3ccc(cc3)-c4nc5c([nH]4)cccc5)no2	910
+C1CC(CCC1c2ccc(cc2)-c3nnn(C)c3NC(=O)OC(c4ccccc4)C)CC(=O)OCC	2907
+c1ccccc1C2CCc3c(C(=O)OC)cc4nc(C)n(CCOC)c4c3O2	10746
+c1cc(ccc1)C2c3c(CN(C)C2)c(cc(c3)Cl)Cl	5057
+c1ccccc1C(CNC(C2CC(CCC2C(C)C)C)=O)=O	155
+C(C(COC1OCCCC1)C)O	682
+c12c(NC3CN(CC3)Cc4cccc(OCCO)c4)cccc1cncc2	682
+c1c(Oc2cccc3c2CNC3=O)c(cc(c1)Nc4ncnc5c4n(CCO)cc5)Cl	682
+c1c(Oc2cccc3sncc23)c(cc(c1)Nc4ncnc5c4n(CCO)cc5)Cl	682
+c1cc(ccc1)C(OCc2nc(-c3ccc(cc3)CO)cs2)=O	49
+C(c1cc(cc(CC)c1OCCCCOCC(OCC)OCC)O)C	818
+Clc1c(c(C)cc(O)c1)OCOC	818
+Clc1cc(cc(Cl)c1OCc2ccccc2Cl)O	818
+c1c(c([N+]([O-])=O)cc(c1)O)OCC(OC)=O	818
+O=S(=O)(C(c1ccccc1)C(C)(C)O)N	4939
+c1cc(ccc1)CCC(c2ccccc2)c3cn(Cc4ccccc4)cn3	371
+c1cc(ccc1)C(c2cccc(CC(O)=O)c2N(C)C)=O	4
+c1cc(ccc1)-c2c3c(no2)c(ccc3)C	3159
+c1ccccc1C(=O)c2c(NC(C)=O)sc3ccccc23	10747
+c1ccccc1C(c2cnc3c(c2Nc4c(C)cccc4)cccc3OC)=O	179
+c1cc(ccc1)-c2onc3c2ccc(c3)C	3159
+c1cc(ccc1)C(NC(=O)Cc2ccc(cc2)OCC(c3cccnc3C)=O)c4c(cc(C)cc4)C	9
+c1ccccc1Cc2cc(ccc2O)Br	452
+c1cc(ccc1)Cc2cc(OC)c(c(c2)Br)OCCOC	452
+c1cc(ccc1)COc2cccc(c2)C(C(=O)O)(c3ccccc3)O	3
+c1ccccc1C(c2ccc3n(-c4ccc(cc4)F)ncc3c2)C(C)(C)CO	21
+c1ccccc1C(c2ccc(o2)C(=O)O)=O	1
+c1cc(ccc1)C(c2ccc(Cl)cc2C)NC(Cc3ccc(O)c(N)c3)=O	0
+c1cc(ccc1)C(c2c(cc(Nc3c4cc(ccc4ncn3)-n5cncc5)cc2)Cl)=O	73
+c1ccccc1C(=O)c2ccc(c(CC=C)c2O)O	423
+c1cc(ccc1C(=CC(=O)O)c2ccccc2)[N+](=O)[O-]	108
+n1c2ccccc2nn1-c3cc(cc(c3O)Cc4c(OC)ccc(C(=O)c5ccccc5)c4O)C	10748
+c1ccccc1C(c2ccc3occc3c2)=O	335
+c1ccccc1C(c2ccccc2)(C(O)C(=O)O)C	3
+c1ccccc1C(c2ccccc2)(CC(N(C)C)C)C(=O)CCCC=C	86
+c1ccccc1C(c2ccccc2)(CC3CCNCC3)C(=O)N	25
+c1cc(ccc1F)C2(c3ccc(cc3)F)C(N(CC(NCC(c4ccccc4)(c5ccccc5)C)=O)CC2)=O	9
+c1cc(ccc1)C(c2ccccc2)(O)C3C(C)(C)C(=O)N(C4C5CC(CC4CCC5)C(OC)=O)C3	1412
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4ccc(cc4)N)O	0
+c1ccccc1C(c2ccccc2)(C3CNCC3)C#N	2721
+c1ccccc1C2(c3ccccc3)C(=O)NCCC2	5058
+c1ccccc1C(c2ccccc2)(O)CCNC(c3ccccc3)=O	93
+c1ccccc1C(c2ccccc2)(CN)CNCC(C)(C)C	12
+CC(C)(C)OC(=O)NC(CO)CCN1CC(C1)Sc2ccc(cc2)Cl	3160
+CC(C)(C)OC(=O)NC(CCN1CC(C1)S(=O)c2ccc(cc2)Cl)CO	3160
+C1C2CCCC(CC1C(OC)=O)C2N3C(=O)C(C)(C)C(C3)CO	3160
+c1ccccc1C(c2ccccc2)=C3CCN(CC3)c4[nH]c5ccccc5n4	5059
+c1cc(ccc1)C(c2ccccc2)(O[SiH2]C(C)(C)C)C(NC(OC(C)(C)C)=O)CCN3CC(C3)Sc4ccc(cc4)Cl	183
+c1cc(ccc1)C(c2ccccc2)(O)C(NC(=O)OC(C)(C)C)CCN3CC(C3)S(=O)c4ccc(cc4)Cl	1412
+c1cc(ccc1)C(c2ccccc2)(O)C(CCN3CC(C3)Sc4ccc(cc4)Cl)NC(=O)OC(C)(C)C	1412
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(O)COCc4ccccc4	604
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC4CC(O)CCC4NC(=O)OCc5ccccc5	604
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5c(c(I)n4)cc(Br)c(c5)[N+]([O-])=O	2271
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(-c5ccccn5)c(-c6ccnc(c6)Br)c4	10749
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(-c5ccc6c(c(O)nc(CCCC)n6)c5)nn4	10750
+C1c2ncc(Br)cc2CN1	10751
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC4=NNC(=O)N4CCC	2082
+C(CCCCCCCCC)CCCCCCOCC(CF)CO	1454
+C(Sc1ccccc1OC)C(OC)CO	1454
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(N4C=CC(=O)NC4=O)CCO	21
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(N4C(=O)NC(C=C4)=O)CC(=O)O	3
+c1ccccc1COCC(CO)OC	1454
+C(CCCCCCCCCCCCCC)CSCC(OC)CO	10752
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC=4N(CCC)C(N(Cc5ccc(cc5)C)N=4)=O	1712
+c1ccccc1COC(NC2CCC(OC)CC2CO)=O	1454
+c1cc(ccc1CN2N=C(CO)N(CCC)C2=O)C	1454
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCc4ccc(cc4)C#N	639
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(I)c5c(CO)nc(cc45)Cl	453
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5c(c(I)n4)cc(Br)c(N)c5	0
+c1nc(c[nH]1)C(=O)c2cccnc2F	5060
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)C(c5cc6ccc(C(=O)NC)cc6cc5)=O	5061
+c1[nH]cc(-c2cc(C#N)ccn2)n1	10753
+C1CC1(O)c2[nH]cnc2	5060
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cnc(C5(CC5)O)c4	88
+C1CN(CCN1C)c2cc(c(cc2)C(=O)Nc3[nH]nc4c3cc(cc4)C(=O)c5cc(F)cc(c5)F)[N+]([O-])=O	10754
+c1ccccc1C(c2ccccc2)=C(C(=O)O)C#N	108
+c1ccccc1C(c2ccccc2)=CCN3CCN(CC3)c4ccc(cc4)C#N	10755
+c1cc(ccc1)CN2CCC(Oc3cccc(n3)N)CC2(C)C	2664
+c1cc(ccc1)C(c2ccccc2)=Nc3ccc(cc3)-c4nnc(OC5CN6CCC5CC6)cc4	2017
+c1cc(ccc1CC2(C(=O)OC)CCCC(N)C2)F	10756
+c1cc(ccc1)C(c2ccccc2)=NC3CC(CCC3)(Cc4ccc(cc4)F)C(=O)OC	1161
+c1c(C)c(c(cc1N)C)-c2c(C)cncc2C	828
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C4(NC(=S)COC4)C5CC5)c(F)cc3	199
+C1CC1C2(COCC(=S)N2)c3cc(N)ccc3F	828
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C45NC(=S)COCC4C5)c(F)cc3	199
+C1C2CC2(c3c(F)ccc(N)c3)NC(CO1)=S	828
+C1COCCN1S(=O)(=O)Nc2cc(N)cnc2Cl	3161
+C(C)OC(c1cnc2c(ccc(N)c2)c1)=O	828
+c-12c(CCOc3cc(N)ccc-13)cc(C(N(c4c(Cl)cccc4)C)=O)s2	828
+c1cc(ccc1N)-c2ccc(OC3CN4CCC3CC4)nn2	828
+CC(C)C=1Oc2cc(ccc2C(=O)C=1c3ccc(cc3)Cl)N	828
+O=S(=O)(C)Nc1cc(N)cnc1C	3161
+CC(C)(C)OC(Nc1cc(cnc1Cl)N)=O	3161
+CC(C)(C)OC(N1CC(OCC1)c2cnc(cc2)N)=O	5062
+CC(C)(C)[Si](C)(C)OCC(C)(C)n1cc(c2cncnc12)C(c3cc(N)ncc3)=O	5062
+c1cc(ccc1)C(c2ccccc2)CO	95
+c1cc(ccc1)C(c2ccccc2)C(N3CCC(CC3)CCn4cc(C(C(O)=O)Cc5cnc(cc5)N)nc4)=O	3
+c1cc(ccc1)C(c2ccccc2)C(=O)Nc3cnc(nc3O)C=O	2287
+c1cc(ccc1)C(c2ccccc2)CC(N3CCNCC3)=O	2
+c1cc(ccc1)C(c2ccccc2)CCN3CC(NC(=O)OC(C)(C)C)CC3	15
+c1cc(ccc1)C(c2ccccc2)CC(N3CCN(CC3)CC(O)=O)=O	3
+c1cc(ccc1)C(c2ccccc2)CCN3CCC(N)C3	12
+c1ccccc1C(c2ccccc2)CCN3CCN(CC3)c4cc(C(N(Cc5ccccc5)C)=O)ccc4	30
+c1cc(ccc1)C(c2ccccc2)CCN3CCN(CC3)c4cc(C(=O)O)ccc4	6
+c1cc(ccc1)C(c2ccccc2)CN(Cc3cc(ccc3)OC(F)(F)F)CCCOc4cc(ccc4)CC(=O)O	4
+c1cc(ccc1)C(c2ccccc2)CN(CC3CCN(CC3)Cc4ccc(cc4)Cl)C(CNC(c5ccccc5)=O)=O	10
+c1cc(ccc1)C(c2ccccc2)NC(c3c(O)nc(COCc4ccccc4)nc3)=O	484
+c1cc(ccc1)C(c2ccccc2)N3c4ccccc4C(C3=O)(O)c5c(O)cc(OCc6ccccc6)cc5	1115
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4ccccc34)c5cc(OC)ncc5O)=O	462
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4ccccc34)c5cc(c(cc5O)F)F)=O	462
+O(C)c1cc2c(cn1)OCC23c4ccccc4NC3=O	3162
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CN	51
+c1ccccc1C(c2ccccc2)N3CC(C3)(NCc4ccccc4)CNC(C)C	15
+C1NCC1C(c2cc(cc(c2)F)C(=O)OCC)C(C)(C)F	539
+C1NCC1Cc2cn(c3ccc(cc23)F)C	539
+C1CC(CCN1C2CNC2)C(=O)N3CCC3	539
+C1CN(CCC1C(N(C)C)=O)C2CNC2	539
+C1CN(CCN1C2CNC2)C(=O)CC	539
+FC(F)(F)C(N1CCN(CC1)C2CNC2)=O	539
+C1NCC1N2C(CCO)COCC2	539
+c1cc(ccc1)C(c2ccccc2)N3CCN(CC3)CCCNc4cc(Cl)c(cc4N)Cl	0
+c1cccc2NC(C3(c4c(cc(F)c(c4)F)OC3)c12)=O	3162
+c1cc(ccc1)C(c2ccccc2)N3C(=O)C(c4ccc(OCc5ccccc5)cc4O)c6c3cccc6	462
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4cc(ncc4O)OC)(c5c3cccc5)O)=O	2942
+c1cc(ccc1)C(c2ccccc2)N3c4ccccc4C(c5cc6c(OCC6(C)C)cc5O)C3=O	462
+c1cc(ccc1)C(c2ccccc2)NC(=O)c3c(O)nc(CO)nc3	118
+CC(C)(C)c1nc(sc1)-c2cc3c(o2)ccc(c3)OCc4ccccc4OC(CCC)C(O)=O	10757
+c1ccccc1C(c2ccccc2)OCC3CCN(CC3)CCN	45
+c1cc(ccc1)C(n2c3cc(NC(c4ccc(cc4)[N+](=O)[O-])=O)ccc3nc2)CC(OCC)=O	50
+c1cc(ccc1C(=O)Nc2cc3n(C(CC(OCC)=O)c4ccccc4)cnc3cc2)N	0
+c1ccccc1CN2c3ccccc3C(c4ccccc4)(O)C2=O	1126
+c1ccccc1C2(CC(C2)C)c3c(ccc(c3)OCc4ccc5cc(ccc5n4)F)C(=O)C	155
+c1cc(ccc1)COCC2C(CN)(c3ccccc3)C2	51
+c1c2C3(C(=O)NC(CC3)=O)CCC(=O)c2ccc1	3090
+C1CC(CCC1(N(C)C)c2ccccc2)C=O	3663
+c1cc(ccc1)C2(CCCCC2)CNc3c4c(cccc4)nc(n3)Cl	40
+c1cc(ccc1)C2(CCCCC2)CNc3ncnc4ccccc34	10758
+C1CN(CCC1(c2ccccc2)C(=O)N3CCN(CC3)Cc4ccccc4)C	10
+C1CN(CCC1(c2ccccc2)CN)Cc3ccccc3	51
+C1CC(CCN1)(CN2CCN(CC2)C)c3ccccc3	25
+c1cc(ccc1)COC(=O)N2CC(CCC2)(N)c3ccccc3	18
+c1cc(ccc1)C2(NC(N(CC(=O)c3ccc(cc3F)N)C2=O)=O)CCC	106
+c1cc(ccc1)C2(c3ccccc3)CNCC2	15
+c1cc(ccc1)C2(c3ccccc3)Cc4[nH]nc(C#N)c4C=C2	331
+c1cc(ccc1)C2(c3ccccc3)CCN(C(CN4CCCC(c5ccc(cc5)F)(c6ccc(cc6)F)C4=O)=O)C2	10
+c1cc(ccc1F)C2(c3ccc(cc3)F)CCN(C2=O)CC(N4CC(c5ccccc5)(c6ccccc6)CC4)=O	10
+c1cc(ccc1)C23C(C(C(CC2)=O)C)CCc4c3nc(-c5ccccc5OC)nc4OC	97
+c1cc(ccc1)C2=C(C=CC=O)N(C)C(=O)c3c2cccc3	10759
+c1cc(ccc1)C2=C(c3ccc(OC)cc3CCC2)CCCCCCO	10760
+c1cc(ccc1)C=2CCCc3c(ccc(O)c3)C=2CCCCCCO	5
+c1ccccc1C=2C(=O)N3Cc4c(cccc4)C3=C(C=2)C(O)=O	2882
+c1cc(ccc1)C2CC(c3c2cccc3)CC(=O)OCC	3040
+c1ccccc1C2CCCc3sc(nc23)Nc4ccc(cc4)-c5nc(C)ns5	2522
+c1ccccc1CCNC(CN2c3ccccc3SC(c4ccccc4)C(C2=O)NC(c5[nH]c6c(cccc6)c5)=O)=O	9
+c1cc(ccc1)C2Cc3c(ccc(OC)c3)C2	165
+c1ccccc1C2c3c(C(C2)CCO)cccc3	44
+c1ccccc1C2CN(C)CCc3c2ccc(O)c3N	0
+c1ccccc1C2NCCOC2	15
+c1cc(ccc1)C2Cc3ccc(cc3C2)O	5
+c1ccccc1C2N(C(CC2COS(=O)(=O)c3ccc(cc3)C)=O)C	36
+c1cc(ccc1)C2OC(=O)CCC=CCC(CC(=O)NCc3ccc(cc3)Cl)C(=O)N(C)C2C	9
+c1cc(ccc1)C2CN(CCc3c2ccc(c3[N+]([O-])=O)O)C	5
+c1ccccc1C2c3c(C(C2CC)=O)c(c(Cl)c(O)c3)Cl	5
+C1(=O)c2ccccc2C(=O)N1CCN3C(C=CC(=N3)c4ccccc4)=O	332
+c1cc(ccc1)C=2C=CN(CCC(C)(S(=O)(=O)C)C(NO)=O)C(=O)C=2C	792
+C1CN(CCC1c2ccccc2)CCCC(Nc3ccccc3C(=O)N)=O	191
+c1ccccc1C2c3ccc(OC)cc3CCN2	2262
+C1CCCCN1CCOc2c3c(nc(O)cc3)c(cc2)Cl	3163
+c1cc(ccc1)C=CC(=O)Nc2cc(ccc2)OCC(=O)O	4
+c1cc(ccc1)C=CC(=O)Oc2c(cc(cc2)[N+]([O-])=O)N	0
+c1cc(ccc1)C=CC(Oc2c(N)cc(N)cc2)=O	0
+c1c2c(c(c(c1)F)C)nc(cc2)O	3163
+c12c(ccc(O)n1)cccc2F	3163
+c1cc(ccc1)C=Cc2onc(-c3ccc(cc3)Cl)c2COc4ccc(C(=O)OC)cn4	91
+c1ccccc1C=Cc2cc(ccn2)-c3[nH]c(C(C)C)c(C(N)=O)c3	10761
+c1cc(ccc1)C=Cc2onc(c2C(O)=O)-c3ccc(cc3)Cl	6
+c1cc(ccc1F)-c2noc(C=Cc3ccccc3)c2CO	5063
+c1cc(ccc1)C=Cc2c(c(no2)-c3ccc(cc3)Cl)CO	5063
+c1cc(ccc1)CC(O)C=CC2N(CCCCCl)C(CC2)=O	1565
+c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2	1565
+c1ccccc1CC(=O)c2ccc(cc2)CCCC(=O)OC	94
+c1cc(ccc1)CC(c2ccn(S(=O)(=O)c3ccccc3)c2)=O	432
+O=C1c2ccccc2C(=O)N1C3Cc4c(C3)cc(C(=O)Cc5ccccc5)cc4	94
+c1ccccc1CC(c2ccc(cc2)SC)=O	94
+c1cc(ccc1)CC(Nc2ccc(nn2)Cl)=O	195
+c1ccccc1CC(NC2C(N(Cc3c(OC)cc(cc3)OC)C2COC)=O)=O	21
+c1ccccc1-c2c(c3c(cc2CCCCC)cc(OC)cc3)O	10762
+c1ccccc1CC(C#N)C(O)=O	3
+c1cccc2-c3ccccc3C(c12)COC(=O)NCC(=O)NC(Cc4ccccc4)C(NCC(=O)O)=O	10763
+c1cc(ccc1)CCC(NC(Cc2ccccc2)C(OC)=O)=O	188
+c1cc(ccc1)CC(C(OC)=O)Nc2ncnc(Cl)c2	2581
+c1cc(ccc1)CC(CCn2c(COc3ccc(cc3)Cl)nc4c2cccc4C)C(OCC)=O	656
+c1cc(ccc1)CC(Oc2c(c3c(cc(-c4c(c5c(cccc5)o4)C(=O)CCCC)cc3)cc2)Br)C(O)=O	3
+C1CC1NC(=O)C(=O)C(Cc2ccccc2)NC(c3cccnc3-n4cc5ccccc5n4)=O	1363
+c1cc(ccc1)CC(C=O)NC(OCC)=O	378
+c1cc(ccc1)CC(C(NC(C(O)=O)CCCNC(=N[N+]([O-])=O)N)=O)NC(C(C)NC(OCc2ccccc2)=O)=O	10764
+c1cc(ccc1)C(=O)N(C(Cc2ccccc2)CC#N)C	115
+c1ccccc1CC(C(O)=O)CS(=O)(=O)C(C)(C)C(=O)N	210
+c1ccccc1CC(F)(F)CN2CCC(CC2)N	15
+c1cc(ccc1NC(C(Cc2ccccc2)NC(=O)Nc3ccc(cc3)Cl)=O)C4=NCCN4C	10765
+c1ccccc1C=2N(C(C(N(C(C)=O)C=2)C(C)C)=O)CC(NC(Cc3ccccc3)CO)=O	9
+c1cc(ccc1Oc2c3ncn(C4OCCCC4)c3ncn2)NC(NC(=O)Cc5ccccc5)=S	2095
+c1cc(ccc1)CC(NC(=O)c2cccnc2-c3csc(-c4ccccc4)n3)C(=O)C(NC5CC5)=O	1363
+c1ccccc1CC(NC2=NC=C(N(C2=O)CC(OCC)=O)Cl)CN	18
+c1cc(ccc1)CC(CCC2CCCC(N2CCCCOCC(=O)OC)=O)O	460
+c1cc(ccc1)CC2(CNc3cc(ccc23)Cl)C	15
+c1ccccc1Cc2cccc(C#N)n2	1304
+c1ccccc1CC2C(C(=O)OCC)(F)CNC2	25
+c1cc(ccc1)CC2CC(c3c(Cl)c(C(O)=O)ccc3S(=O)(=O)C)=NO2	1
+C1CC(CCC1Cc2ccccc2)=O	97
+c1cc(ccc1)CC2CCN(CC2)C(=O)C3NCC(C3)O	679
+C1CC(CCN1C(C2CC(O)CN2Cc3ccccc3)=O)Cc4ccccc4	1330
+C1CC(CCN1CCC#Cc2ccc3c(ccn3S(=O)(=O)c4ccccc4)c2)Cc5ccccc5	197
+c1cc(ccc1)CC2CN(C(=O)CCc3c4cc(ccc4n(c3-c5ccc(cc5)Cl)C)Cl)CCN2C	10
+OCC(CC=C)c1ccc(c(c1)Cl)Cl	2859
+c1cc(ccc1)CC2COC(=O)N2C(=O)C(OCC)C(O)c3c(cc(cc3)OCc4ccccc4)CC	4731
+c1cc(ccc1)CC2COC(=O)N2C(CC(c3nocc3)c4ccc(cc4)O)=O	16
+c1cc(ccc1)S(=O)(=O)c2ccc(cc2)CCC	2290
+c1ccccc1Cc2c3cc(Br)ccc3[nH]c2C	518
+c1cc(ccc1)CCC(=O)N2C(C)CC(C2)Cn3ncc4cc(-c5cn[nH]c5)ccc34	747
+C1CC(CCN1c2ccc(cc2)OC)NC(=O)CCc3ccccc3	9
+c1cc(ccc1)CCc2oc(C)c(CC(=O)OC)n2	10766
+c1ccccc1CCC(NC(Cc2ccccc2)C(=O)O)=O	4
+c1ccccc1CCC(NC2CSC(CN(CC(O)=O)C2=O)c3ccco3)C(O)=O	3
+c1cc(ccc1)C(c2[nH]cnc2)CCc3ccccc3	2152
+c1ccccc1CCCNc2cccc(Sc3ccc(cc3)CC(OCC)=O)c2	291
+c1ccccc1CCCOc2c(ccc(c2)C(=O)NCC)-n3nnc(c3)C(=O)OCC	8
+c1ccccc1CCCC(C(O)C)(c2nc(C)c3C(N=C(Cc4cc(c(cc4)OC)OC)Nn23)=O)C	100
+c1ccccc1CCCC(C(=O)C)c2nc(C)c3C(=O)NC(=Nn23)Cc4cccc5ccccc45	5012
+c1cc(ccc1)CCCC(C(=O)C)(c2nc(C)c3C(=O)N=C(Nn23)Cc4ccc(OC)c(OC)c4)C	3164
+c1cc(ccc1)CCCC(c2nc(c3C(N=C(Cc4cc(c(cc4)OC)OC)Nn23)=O)CC)C(C)=O	3164
+c1cc(ccc1)CCCC(C(NC(c2nnc(Cc3ccc(OC)c(OC)c3)nc2O)CC)=O)C(=O)C	2299
+c1ccccc1CCCC(C(O)C)c2n3N=C(NC(=O)c3c(CC)n2)Cc4cc(OC)c(cc4)OC	5064
+c1cc(ccc1)CCCCCCCCOCC(O)CN	18
+c1cc(ccc1O)C(O)CCCc2ccccc2	758
+c1cc(ccc1)C(c2ccccc2)(CCCN(CCc3ccccc3)C)C(N)=O	53
+c1cc(ccc1)CCN2CCC3c4cccc(c4CCC23)O	5
+c1cc(ccc1)CCN2C3C(CC2)c4cccc(c4CC3)OC	15
+c1cc(ccc1S(=O)(=O)NCC(C2(CC(C)C)CCN(CCc3ccccc3)C2=O)C(=O)NOCc4ccccc4)OC	293
+C1CC(CCN1CCc2ccccc2)N	733
+c1ccccc1CCNC(C(Nc2ccc(Oc3c4c(ncc3)cc(c(OC)c4)OCc5ccccc5)c(c2)F)=O)=O	242
+c1ccccc1CCSc2ccc(cc2)C=O	607
+c1cc(ccc1[N+]([O-])=O)SCCc2ccccc2	972
+c1cc(ccc1)CCc2c3cc(ccc3ncc2)C(=O)c4ccc(cc4)Cl	4898
+c1cc(ccc1)CCc2oc(C)c(CCO)n2	21
+c1cc(ccc1)CCc2nc(c(C)o2)CC(=O)O	4
+c1cc(ccc1OCc2ccccc2)CC(C(=O)O)O	139
+c12c(cccc1)CC(C2)(CO)c3cn(cn3)Cc4ccccc4	2330
+c1cc(ccc1)CN2C(=O)C(OCC2C)C	10767
+c1cc(ccc1)CN(CC(COc2ccccc2)O)C(Cc3ccc(cc3)NC(=O)c4ccc(cc4)C(=O)OC)CO	67
+c1cc(ccc1)CN(C2C(CN(CCc3ccc(cc3)F)CC2)C(=O)OCC)C	236
+C1CC(CCC1N2CCc3c(ccnc3)C2)N(Cc4ccccc4)C	85
+c1cc(ccc1)CN(C)C2CCC(CC2)=O	97
+c1cc(ccc1)CN(C2C(CO)CN(CC2)CCc3ccc(cc3)F)C	21
+c1cc(ccc1F)C(CN(C)Cc2ccccc2)O	74
+c1ccccc1CN(C)CC(=O)CCc2ccccc2	4456
+N(C)CC1CNC(c2cccc3[nH]cc1c23)=O	25
+c1cc(ccc1)CN(C)Cc2ccc(N)c(OC)c2	0
+c1cc(ccc1)CN(C)C2CCN(CCc3ccc(cc3)F)CC2C(O)=O	3
+c1cc(ccc1C(Nc2ccc(cc2)CC(N(CC(COc3ccccc3)O)Cc4ccccc4)CO)=O)C(=O)O	1
+C1=C(CC)C(NC(N1C2OC(C(O)C2)CNC)=O)=O	25
+c1cc(ccc1)CN(CCc2cccnc2Cl)CCO	15
+c1cc(ccc1)CN(CCOC(C=2C(C(=C(C=O)NC=2C)C(=O)OCC)c3cc(ccc3)[N+]([O-])=O)=O)C	10768
+c1cc(ccc1)CN(CCOC(=O)C=2C(C(=C(NC=2C)CO)C(=O)OCC)c3cc(ccc3)[N+](=O)[O-])C	10769
+c1cc(ccc1)CN2CCOc3c(cccn3)CC2	91
+c1cc(ccc1)CN(Cc2ccccc2)C(C3CCNCC3)=O	2
+c1cc(ccc1)CN(Cc2ccccc2)C(C(O)=O)C(C3CC3)O	3
+c1ccccc1CN(Cc2ccccc2)CC3CCNCC3	15
+CC(C)(O)C(Nc1cccc2c1CCC(N)C2)=O	932
+c1ccccc1CN(Cc2ccccc2)CC(c3cc(c(cc3)O)NC=O)O	16
+c1(N)cnc(cc1)CN(CCO)C	10770
+c1ccccc1CN(Cc2ccccc2)c3cccc(c3CO)[N+]([O-])=O	41
+C1CC1(O)c2c(cccc2)N	5065
+O=S(=O)(N(Cc1ccccc1)CCN2Cc3ccccc3C(C(=O)C2)(O)C4CCC4)c5ccccc5[N+](=O)[O-]	86
+c1ccccc1CC2=Cc3c(N(Cc4ccccc4)C2=O)cnc(c3O)C(OC)=O	10771
+c1cc(ccc1)CN2CCCCC(N)C2	15
+c1cc(ccc1)CN2CC(C)OCC2C	15
+c1ccccc1CN2CC(C(N)C)CC2=O	733
+c1cc(ccc1)CN2CC(CC2)c3c[nH]c4c3c5c(cc4)OCC=C5	15
+c1ccccc1CN2C(=O)CCC2C(=O)NC(C(C(OCC)=O)O)Cc3ccccc3	9
+c1ccccc1CN2C(=O)c3ccccc3-c4cc(ccc24)CC5C(NC(=O)S5)=O	534
+c1cc(ccc1)CN2C=CC=C(C2=O)O	2285
+O1C(C)C(C(=O)O)NCC1	3165
+c1cc(ccc1)CN2CC(CO)CCCC2C	10772
+c1cc(ccc1)CN2CC(OCC2)Cc3ccc(F)c(C)c3	15
+OC(C1NCC(OC1)C)C	25
+c1cc(ccc1)CN2C(CC(N)C2)C(=O)OC	18
+c1ccccc1CN2C(C(C)OCC2)C(OCC)=O	15
+c1cc(ccc1)CN2C(C(O)C)COC(C2)C	15
+c1cc(ccc1)CN2C(C(=O)O)C(OCC2)C	210
+CC1(C)N(Cc2ccccc2)CC(C(C)C)NC1	15
+c1cc(ccc1F)N2CC(C)(C)N(CC2)Cc3ccccc3	79
+C1CCCC(n2cc(-c3cc4cnn(CC5CC(NC5)C)c4cc3)cn2)O1	25
+c1ccccc1CN2CC(C)(C)OCC2C3(CC3)O	15
+C1(NCC2CC(CC12)C)CO	25
+c1cc(ccc1)CN2C=CC(O)=CC2=O	10773
+c1cc(ccc1)CN2C(C=CC(N3c4c(CC3C(=O)O)cccc4)=N2)=O	4
+c1(C)c(F)ccc(OCC2CCCC(NC2)C)c1	25
+c1cc(ccc1N(CCOC)C(C2CN(c3ccc(cc3)OCC)CCN2Cc4ccccc4)=O)N	0
+c1cc(ccc1)CN2C(CC)C(C)OCC2	15
+C(O)CC1NCCOC1	25
+c1ccccc1CN2C3(CCC2)CNCC3	15
+FC1(F)CC2CC(CC1N2)(O)CC(=O)OCC	25
+C1NC2CC(NC(=O)Nc3ccc(F)c(F)c3)CCC2(C1)c4ccc(c(OC)c4)OC	25
+FC1(F)CC2CC(CC1N2Cc3ccccc3)O	59
+c1cc(ccc1)C2(CC3CCC(C2)N3)C(=O)O	25
+c1(c2c([nH]cc2)ncc1)N(C)C3C(C)CCNC3	25
+c1cc(ccc1)CN2CCC(C(c3ccc(cc3)Cl)C2)C(Nc4ccc(C#N)cn4)C	340
+c1cc(ccc1)CN2CC(CC2)C(=O)N	15
+c1cc(ccc1)CN2CC(CC2)CN	10774
+C1(C)C(CCNC1)=O	25
+OC(CC1(OCC(C)NC1)C)C	25
+CCC1C(CCNC1)=O	25
+c1cc(ccc1)CN2CC(CC2)CN	15
+c1cc(ccc1)CN2CCC(CO)C2	647
+c1ccccc1-c2ccn(CC(NCC3CN(Cc4ccccc4)CC3)=O)n2	9
+c1c(cc2cc(C(Nc3cc(F)cnc3)=O)[nH]c2c1)C4CCNC4	25
+c1cc(ccc1)CN2CC(CC2=O)C(C)=O	10775
+c1(cc2c(OCO2)cc1)CC3CNCCC3	25
+O=S(=O)(N1C2C(N(C(NC3CNCCCC3)=O)CC2)C1=O)O	25
+c1cc(ccc1)COC(N2CCOC(CCOC(C)=O)C2)=O	1600
+CC1N(CCNC1)C(=O)C	25
+CCOC(=O)N1CCNCC1C	25
+c1cc(ccc1F)Cn2c3c(cccc3)nc2NC4CCN(CC4)C5CCCNC5	25
+C(CNC1CCNC1)C#N	25
+c1c(C)c2c(ccc(OC)c2)nc1NC3CNCC3	25
+C1CC12C(CNCC2)O	25
+c1cc(ccc1)CN2CC(Oc3ccc(cc3)[N+]([O-])=O)CC2	20
+c1(cc(ccc1F)CC2CNCCO2)C	25
+c1ccccc1CN2CC(c3ccc(c(c3)Cl)Cl)C(N)C2	157
+c1cc(ccc1)CN2CC(CC2)c3cc4c([nH]c(C(Nc5cncc(c5)F)=O)c4)cc3	510
+c1cc(ccc1)CN2CC3c4c(C(=O)C3CC2)ccs4	1487
+C1CN(CCC12CNCC(c3ccc(cc3)Cl)O2)C(c4ccc(c(C)c4)OC(C)C)=O	25
+c1cc(ccc1)CN2CC3C(CCC3C2)N	18
+N1CC2C(C1)C(CC2)O	25
+C1CC2CNCC2C(O)(c3c(cccc3)OC)C1C	25
+c1cc(ccc1)CN2CC3C(CC(C2)C3)=O	86
+c1cc(ccc1)CN2CC3C(O)CC(C2)C3	59
+C1C2CN(CC(CN1)C2)Cc3ccccc3	25
+c1ccccc1COc2ccc3c(c2)COC4CNCC34	25
+c1cc(ccc1)CN2CC3OCc4c(C3C2)ccc(OCc5ccccc5)c4	15
+c1cc(ccc1)CN2CCC3Cc4c(scc4)C3C2	5007
+c1cc(ccc1)CN2CCC3Cc4c(ccs4)C3C2	2501
+C1CC(CCN1Cc2ccccc2)c3ccc(cc3)OC	191
+c1cc(ccc1)CN2CC(C(CC2)C(C)N)c3ccc(cc3)Cl	733
+c12c(N(C)C3C(C)CCNC3)ncnc1[nH]cc2	25
+CCOC(C1CCNCC1O)=O	25
+c1cc(ccc1Cl)C2CNCCC2C(C)Nc3ccc(C#N)cn3	25
+c1cc(ccc1)CN2CC(CC2)CCN	51
+c1cc(ccc1)CN2CCC(Oc3cc(ccc3-c4ccncc4)F)C2	498
+c1cc(ccc1O)-c2cc(C(NC3(CCN(CC3)Cc4ccccc4)C)=O)c5c(C)nn(c5n2)C6CCCCO6	14
+C1CC(CCN1Cc2ccccc2)(Nc3ccccc3)CO	95
+C1CNCCC1(O)C(=O)OC	25
+C1CC2(CCN1Cc3ccccc3)OCc4ccncc24	10776
+C1CC1S(=O)(=O)C2(CCNCC2)c3cc(nc(n3)Cl)N4CCOCC4C	25
+CN(C)C1(CCN(CC1)Cc2ccccc2)c3cnccc3	2062
+C1CC(CCN1Cc2ccccc2)CCCCC#N	1101
+c1cc(ccc1)CN2CCC(CC2)=CCCCC#N	10777
+c1cc(ccc1OCCC)C2(CCN(CC2)Cc3ccccc3)O	251
+C1CC(CCN1Cc2ccccc2)(O)c3ccc(cc3)OC	251
+C1CC(CCN1)COc2ncc(-c3ccc(cc3)S(=O)(=O)C)cc2	25
+C1CC(CCN1)N(CCO)CCCO	25
+C1CC(CCN1)NCC(O)COc2cccc3c2c4c([nH]3)cccc4	25
+C1CC(CCN1)Nc2cccnc2-c3nc4cc(OC)cc(OC)c4c(O)n3	25
+c1cc(ccc1C(c2c(Cl)cccc2)OC3CCNCC3)Cl	25
+C1CNCCC1n2c3ccccc3cc2	25
+c1cc(ccc1)CN2CC=C(CC2)COCc3ccccc3	10778
+c1cc(ccc1)CN2CCC(OC(=O)c3cc(c(N)cc3)OC)C2	0
+c1cnccc1-c2c(cc(cc2)F)OC3CCNC3	25
+C1CC2(CCN1Cc3ccccc3)Cc4c(C2)ccc(OC)c4	414
+C1CNCCC12COC(=N2)c3ccc(cc3)OCCCN4CCCC4C	25
+C1CNCCC12c3ccncc3NC2=O	25
+c1cc(ccc1)CN2CCC3(CCC2)Oc4c(cc(C=CC(O)=O)cc4)C(C3)=O	127
+C1C2Cc3c(C2CNC1)ccs3	25
+C1C2Cc3ccsc3C2CNC1	25
+N1CC(c2cc(ccc2)OC)=CCC1	5066
+c1cc(ccc1)CN2CCCC(Oc3c4c(c(oc4ncn3)-c5ccccc5F)-c6ccc(cc6)OC)C2	2741
+c1cc(ccc1)CN2CCCC(Oc3nnc(cc3)-n4cncc4)C2	485
+c1cc(ccc1)CN2CC(CCC2)Cc3ccc4OCOc4c3	15
+c1cc(ccc1-c2c(-c3ccccc3F)oc4c2c(OC5CCCNC5)ncn4)OC	25
+C1C(CNCC1)Oc2nnc(-n3ccnc3)cc2	25
+C1(CCCCNC1)CO	25
+c1ccccc1CN2C(CNCC2)CCOC	25
+C1CCN(C1)C2C3N(C(Cc4cc(c(Cl)cc4)Cl)=O)CCNC3CCC2	25
+C1CC(CCN1c2ncncc2)C(N3CCN(CC3)Cc4ccccc4)=O	54
+c1cc(ccc1)CN2CCN(CC2)C(=O)Nc3nccc(Oc4cnc(cc4)N)c3	161
+c1cc(ccc1)CN2CCN(CC2)c3ccc(c(c3)C(O)=O)N	0
+C1CNCCN1c2nccc3c2cc(N(C)C)cc3	25
+C1CN(CCN1)c2ncccc2C(=O)OCC	25
+C1CN(CCN1c2c(CO)cccn2)Cc3ccccc3	351
+c1cc(ccc1)CN2CCNCCC2	215
+c1cc(ccc1Cl)-c2n(C)c3ccc(cc3c2CCC(=O)N4CCN(CC4)Cc5ccccc5)Cl	10
+c1cc(ccc1N2CCN(CC2)Cc3ccccc3)C#N	34
+C1CN(CCN1C(CNC(=O)c2ccc(cc2)Oc3ccccc3)=O)Cc4ccccc4	10
+C1CN(CCN1CC=2C(=O)N(CC(C)C)N=C(c3ccc(cc3)C)C=2)Cc4ccccc4	3909
+c1cc(ccc1F)NC(CCN2CCN(CC2)Cc3ccccc3)=O	1531
+c1cc(ccc1N2CCN(CC2)Cc3ccccc3)[N+]([O-])=O	34
+c1cc(ccc1)CN2CCOC(CCCN)C2	51
+c1cc(ccc1)CN2CC(CCO)OCC2	44
+c1cc(ccc1)CN2CCOC(COc3ccc(cc3)Br)C2	450
+c1cc(ccc1-c2ccnc(C)c2)OCC3CNCCO3	25
+c1(c2CNCc2ccc1)C#N	25
+c1cc(CO)cc2CNCc12	25
+c1cc(ccc1)CN2Cc3c(ccc(CO)c3)C2	98
+c1ccccc1CN2N=C(C(=CC2=O)C(N=[N+]=[N-])C)c3ccccc3	10779
+c1cc(ccc1)CN2N=C(C(=CC2=O)C(O)C)c3ccccc3	10780
+c1cc(ccc1)CN2N=CC(=C(C2=O)OC)c3ccc(cc3)C	10781
+C1CC1(NC(=O)c2nc(-c3cccnc3)c4N(Cc5ccccc5)C(C(=Cc4c2O)c6ccccc6)=O)C(=O)O	3
+c1cc(ccc1)CN2c3c(ccc(Cl)c3)OC(C(=O)O)C2	3
+c1cc(ccc1)CNC(=O)N2C(C(N3C(C(O)CCO)CCC3)=O)CCC2	44
+c1ccccc1CNC2(CC2)c3ccc(cc3)C#Cc4ccc(cc4)C(=O)OCC	129
+c1cc(ccc1)CNC2CCN(CC2O)CCN	51
+CCOC(C1COCCC1N)=O	273
+c1cc(ccc1)CNC2C=Cc3c(CC2)ccc(c3)N	0
+c1cc(ccc1)CNC2CCC(CC2)CN	102
+C1CC(CCC12COC2)N	273
+C1(CCCN(C(=O)OCC)CC1)N	273
+n1cccnc1NCCN2CC(O)C(CC2)NCc3ccccc3	96
+NC1CCc2ccc(OC)cc2C1	273
+c1cc(ccc1)CNC2C=Cc3c(ccc(c3)[N+]([O-])=O)CC2	1358
+c1cc(ccc1)CNC2CCc3c(cc(cc3)[N+]([O-])=O)C(O)C2	74
+c1cc(ccc1)CNCCCNc2cc(c(cc2N)C)C	0
+c1cc(ccc1)CNCCn2c3ncnc(N)c3c(n2)-c4cc(cc(O)c4)F	5
+c1cc(ccc1)CN(O)C(=O)c2nccc(N(C)Cc3ccccc3)c2	1006
+c1cc(F)c(N)cc1C2C(C2)C(OCC)=O	1197
+Nc1c(C(=O)OC)cnc(Cl)c1	1197
+c1ccccc1CNc2cc(Br)ccc2N	0
+c1ccccc1CNc2ccc(-c3oc4c(cccc4)n3)cc2N	0
+c1cc(ccc1)CNc2nc(C)c(C(CCC)C(=O)O)c(-c3ccc(cc3)C)n2	4
+CC(C)n1nc(-c2sc(Cl)cc2)c(-c3ccnc(N)n3)c1	10782
+c1cc(ccc1)CNc2nc3ccc(O)c(C(=O)O)c3nc2-c4ccccc4	5
+c1ccccc1COC(Nc2ncc(CCCC)cc2)=O	10783
+c1cccc2CC(Cc12)(C)NC(OCc3ccccc3)=O	3790
+c1ccccc1COC(c2ccc(cc2)CC(C)=O)=O	279
+c1cc(ccc1)COc2c3c(cnn2)cc(C)n3Cc4ccc(cc4)OC	10784
+c1cc(ccc1F)OCc2cc(ncc2)OCc3ccccc3	91
+c1cc(ccc1C(C(C)C)C(=O)OCc2ccccc2)[N+]([O-])=O	1699
+c1cc(ccc1)C2=CC(C(OCc3ccccc3)=O)=C4c5c(CN4C2=O)cccc5	10785
+c1ccccc1COc2ncc3nc([nH]c3n2)-c4c(cc(OCc5ccccc5)cc4)OC	482
+c1cc(ccc1)COc2ccnc(n2)Cl	145
+c1ccccc1COC(=O)C2C(CC(CN2)OC)C(OC)=O	3165
+N1C(=O)NC(=O)C12CC(C(=O)O)CC2	210
+c1ccccc1-n2nc(cc2OCC(N3CCCC3C(O)=O)=O)C(OCC)=O	210
+CCN1CC(CC1)C(=O)O	210
+c1c(C)c(c(cc1)C)NC(Nc2c(cc3ccccc3c2)C(N(CC(=O)O)CC4CCCCC4)=O)=O	210
+c1ccccc1CCN=C2NC(=C(C)N(C2=O)CC(=O)OCc3ccccc3)Cl	10786
+c12c(cccc1)C(=O)N(C2=O)CCCC(NC)CO	62
+c1cc(ccc1C)S(=O)(=O)OCCCN(C(OCc2ccccc2)=O)CC	36
+c1cc(ccc1)C2(C3C(CCCC3)NCC2)O	62
+c1cc(ccc1S(=O)(=O)OCC2CN(CC2=NOC)C(=O)OCc3ccccc3)C	36
+C1NCC(Nc2c(C(=O)N)cnn3c2cc(c3)Br)C1C	62
+c1cc(ccc1)COC(N2CCCC(C2)C(C)N)=O	18
+C1(C(OCCF)CNC1)Nc2c(nc(c(CC)n2)-c3ccc(OC)cc3Cl)CC	62
+c1cc(ccc1)COC(N2CC(C(N)C2)OC)=O	18
+c1cc(ccc1)COC(N2CC(C(N)C2)C)=O	18
+c1cc(ccc1)COC(=O)N2CC(F)C(C2)N	18
+C1CCCC(n2cc(-c3cc4c(cc3)n(cc4)CC5CNCC5)cn2)O1	62
+c1cc(ccc1I)-c2c(c(n(C3CCCN(C3)C(OCc4ccccc4)=O)n2)N)C#N	2356
+c1cc(ccc1F)-c2nc(oc2)C3CCCNC3	62
+c1cc(ccc1)COC(=O)N2CCCCC(C2)C=O	24
+COC1C(Nc2c(C(=O)N)cnn3c2cc(c3)Br)CNC1	62
+c1cc(ccc1)COC(=O)N2CC(Nc3nc(CC)cnc3CC)C(C2)O	464
+c1cc(ccc1S(=O)(=O)OC2C(CC)CN(C(=O)OCc3ccccc3)C2)C	36
+O1CCNCC1CCC#N	62
+CC(C)c1nc(c(cc1)-c2c(C)cc3c(c(C)cn3C4CNCC4OCCF)n2)OC	62
+c1ccccc1C2(CC3C(CNC3)C2)O	62
+c1cc(ccc1)COC(N2CCC(C(N)c3ncco3)C2)=O	18
+c1cc(ccc1S(=O)(=O)OCC2CN(CC2)C(=O)OCc3ccccc3)C	36
+C1CC(CCN1C(OCc2ccccc2)=O)c3ccccc3SC	564
+C1CNCCC1C2CC2CCO	62
+C1CNCCC1C2CC2CCOc3cc(F)c(CC(=O)N4CCC4)cc3	62
+c1cc(ccc1)COC(=O)N2CCC(CC2)CCCCCO	44
+c1cc(ccc1C)S(=O)(=O)OCCCCCC2CCN(CC2)C(=O)OCc3ccccc3	36
+C1CN(CCC1C=O)C(OCc2ccccc2)=O	24
+C1CNCCC12CC(c3c(O2)cccc3)=O	62
+c1cc(ccc1)COC(=O)N2CC(CCC2)c3occ(n3)-c4ccc(cc4)F	2435
+c1cc(ccc1)COC(N2CCCC(CN)C2)=O	18
+c1cc(ccc1)COC(N2CC(O)C(N)CCC2)=O	18
+c1ccccc1NCC2CN(C(OCc3ccccc3)=O)CCCC2	291
+C1CN(CCN1C(OCc2ccccc2)=O)CC3CN(CCC3)CCCc4ccc(cc4)S(=O)(=O)C	1306
+C1CNCCN1c2cc3c(n[nH]c3cc2)S(=O)(=O)c4c5c(ccc4)cccc5	62
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3nc(c4c(n3)cccc4)OC5CC(C=C5)O	10787
+C1COCCN1c2c3c(CCNCC3)nc4ccnn24	62
+C1OC(CCC1)ONC(c2cc3c(cc2)CNCC3)=O	62
+NC(CCCCCC(NC)=O)c1[nH]c(-c2c(nc3c(cccc3)c2)OC)cn1	102
+c1(c(nc2c(cccc2)c1)OC)-c3cnc(o3)C(CCCCCC(NC)=O)N	102
+c1cc(ccc1)CC(NC(=O)OCc2ccccc2)C=O	24
+c1cc(ccc1)COC(NC2CCCCC2C=O)=O	24
+c1ccccc1Cn2c3C(N(c4c(cccc4)-c3nc2C5CCCC(C5)N)C)=O	102
+c12c(cc(F)cc1)CCC(N(CC3CCCCC3N)C)C2	102
+C(OCC)(N1CCC(N)C(OCC)C1)=O	102
+c1cc(ccc1F)N2C(=O)c3ccccc3N=C2CNC(OCc4ccccc4)=O	10788
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(=O)Oc2ccc(cc2)[N+](=O)[O-]	2850
+c1cc(ccc1)COC(=O)Nc2c3ccccc3c(c([N+](=O)[O-])c2)CC(=O)O	3
+c1cc(ccc1)COC(=O)Nc2cc([N+]([O-])=O)c(CCO)c3c2cccc3	21
+c1cc(ccc1)COC(=O)Nc2cc3c(c4c(cnc(C(O)=O)c4[nH]3)-c5ccccc5F)cc2	6
+c1cc(ccc1)COC(c2c([nH]nc2C=O)C)=O	178
+c1cc(ccc1)-c2c(c3c(cc(OC)cc3)n2S(=O)(=O)c4ccccc4)Cc5nc(ccc5)C(O)=O	426
+c1c(C)c(OCC(=O)OCC)ccc1Oc2cc(C(=O)O)ccc2	426
+c1ccccc1COC(=O)c2n(ccc2)-c3cc(ccc3)C(O)=O	1
+c1cc(ccc1)COC(=O)c2cccc(Cc3c4c(n(S(=O)(=O)c5ccccc5)c3-c6ccccc6)cc(OC)cc4)n2	367
+CC(C)(CCOC(=O)CCCCCCCCC)C(O)=O	210
+c1ccccc1COC(C(CC(C)C)C(O)=O)C(OC)=O	2819
+CC(C)CC(NC(=O)C(C)NC(=O)C(C)NC(C)=O)C(=O)O	210
+c1ccccc1COC(C)C2=NNC(N2CCC)=O	2082
+C1CC(CCC1C(=O)OCc2ccccc2)C=COC	10789
+C1CC(CCC1C(=O)O)CC(=O)OCC	210
+c12c(cccc1Cl)c3CC(C(=O)O)CCc3n2CC(OCC)=O	210
+c12-c3ccccc3C(c1cccc2)(O)C(N4C(C(O)=O)CCC4)=O	210
+c1ccccc1COC(NC(Cn2ncc3ccc4c(cc(o4)C(=O)OCc5ccccc5)c23)C)=O	10790
+c1cc(ccc1)COC(=O)CC2(CCCC2)C(NC(c3nnn[nH]3)Cc4ccc(cc4)-c5cc(Cl)ccc5)=O	9
+C(COC)N(CCOC)CC(=O)O	210
+C1CN(CCN1c2ccc(cc2)Br)C(OCc3ccccc3)=O	66
+c1cc(ccc1)COC(N2CCC3(CC2)C(Nc4ccc(Cl)cc4C(c5ccc(cc5)Cl)=N3)=O)=O	66
+c1cc(ccc1CCNC(OCc2ccccc2)=O)N	101
+c1cc(ccc1C(=O)O)CNC(OCc2ccccc2)=O	101
+c1cc(ccc1CN2c3c(NC4C(CCC4)C2=O)cccc3)NC(=O)OCc5ccccc5	90
+O=S(=O)(c1ccc(cc1)NC(OCc2ccccc2)=O)N3CCC(CC3)NC(=O)C=C	90
+c1cc(ccc1N2CCN(CC2)C(OCc3ccccc3)=O)[N+]([O-])=O	66
+c1ccccc1COC(Nc2ccc(cc2)O)=O	90
+c1ccccc1COC(=O)NC(C(O)=O)Cc2ncn(CC=C)c2	544
+c1cc(ccc1)COC(=O)Nc2ccc(c(c2)F)-n3nc(cc3)-c4ccccn4	90
+n1cc(cnc1NCC2CCN(CC2)C(=O)OCc3ccccc3)-c4ccc(cc4)S(=O)(=O)C	66
+c1ccccc1COC(NC(Cn2c3c(cn2)ccc(O)c3)C)=O	101
+c1cc(ccc1F)C(c2cc(cnc2)CN3C(C(NC(=O)C(C)N(C)C(=O)OCc4ccccc4)=CC=C3Br)=O)=O	10791
+c1cc(ccc1)COC(N(Cc2c(-c3c(OC)ccc(c3)CC(OCC)=O)ccc(c2)N)CC)=O	0
+c1cc(ccc1)COC(=O)N2C(CCCC2CC=O)C(=O)OC	1156
+c1cc(ccc1)COC(=O)N2CC(=NOC)C(CO)C2	44
+N1CC(CC)C(Nc2c(C(=O)N)cnn3cc(-c4cnc(cc4)CNC(=O)COC)cc23)C1	62
+C1C(CN1)C(N2CCN(C3CCC3)CCC2)=O	62
+c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O	18
+c1(OC)n(c2nc(nc(N)c2n1)OC(CCC)C)CCC3CCCNC3	62
+c1cc(ccc1)COC(N2CC(C(C2)=NOC)CN)=O	18
+c1ccccc1COC(N2CCCC(NC(c3ccccn3)=O)C(O)C2)=O	81
+C(OC1CNCC1Nc2nc(cnc2CC)CC)C	62
+c1cc(ccc1)COC(N2CCOC(CNC(Nc3ccc(cc3)Cl)=O)C2)=O	282
+c1(C(N)C2CCNC2)ncco1	62
+C1CNCCC1n2ccc3c2cc(C(=O)N)cc3	62
+c1cc(ccc1)COC(N2CCC(CC2)n3c4c(cc3)ccc(C(O)=O)c4)=O	1
+C1CNCCC1n2ccc3c2cc(C(=O)NC)cc3	62
+c1cc(ccc1)COC(=O)N2CC(CC2)(F)CO	59
+C1CC(CCC1)N(CC(OC)=O)C2CCNC2	62
+c1cc(ccc1C2=NC3(CCNCC3)C(=O)Nc4ccc(cc24)Cl)Cl	62
+c1cc(ccc1)COC(N2CC(CCC2)CCCCn3c4nc(OCCCC)nc(c4nc3OC)N)=O	2658
+C1CNCCN1C(=O)C(CC(C)C)NC(c2cc3ccccc3s2)=O	62
+O=S(=O)(c1ccc(cc1)O)NCC(N2CCN(CC2)C(OCc3ccccc3)=O)C(OC)=O	71
+c1cc(ccc1)COC(N2CCOC(CCO)C2)=O	59
+C1(CNc2c(O1)cccc2)COCC=C	2931
+c1cc(ccc1)COC(NC(C)(C)C=2N(C)C(C(=C(N=2)C(=O)NCc3ccc(cc3)F)OC(=O)c4ccccc4)=O)=O	10792
+c1cc(ccc1F)CNC(C2=C(C(=O)N(C)C(C(C)(C)NC(=O)OCc3ccccc3)=N2)O)=O	10793
+c1(c(C2=NC(C)C(Nc3ccc([N+]([O-])=O)cc23)=O)cccc1)F	10794
+c1ccccc1COC(=O)NC2C(CC(=O)CC2)NC(OCc3ccccc3)=O	86
+o1c(nc(C(=O)OCCCC)c1CC)N2CC(OCCC)C(N)CC2	102
+c1cc(ccc1)COC(=O)NCC(Nc2c(C(=O)O)cccc2)=O	1
+C1(CN)CCN(c2nc(-c3ccccc3O)nc4ccc(cc24)F)C1	102
+c1cccc(-c2nc(c3c(n2)cc(C)cc3)N4CCCC(CN)C4)c1O	102
+c1cc(ccc1)COC(Nc2ccc(cc2)Oc3ccc(nc3)N)=O	161
+c1cc(ccc1)COC(Nc2ccc3c(c2)[nH]cc3C(c4ccccc4F)CN)=O	157
+c1(cc2c(c[nH]c2cc1)Cc3c(cc(C(=O)OC)cc3)OC)C(=O)O	426
+c1cc(ccc1)COCc2ccc(C)c(c2)OCc3ccccc3	49
+C1CC1n2nc3ccc(cc3c2C)N4C=CC(O)=CC4=O	923
+C1CC1c2nc3ccc(cc3n2C)N4C(=O)C=C(O)C=C4	923
+Cc1n(nc2ccc(N3C=CC(O)=CC3=O)cc12)C	923
+c1(cccc(F)c1)CN2C(=O)C=C(O)C=C2	923
+C1=CC(O)=CC(N1CCCC)=O	923
+C1CC1c2c(C)n3c(ccc(c3)N4C=CC(O)=CC4=O)n2	923
+C1CN(CCC1c2ccc(N3C(OC(C3)CN=Cc4ccccc4)=O)cc2F)C(COCc5ccccc5)=O	58
+c1cc(ccc1)COCC(C(=O)Nc2cc(cnc2Cl)Cl)Oc3c(F)c(C#N)c(F)cc3	274
+c1cc(ccc1)COCC(CO)c2c(cc(cc2)Br)C	21
+c1ccccc1COCC(C)(C)C(=O)N(c2ccccc2)CC(=O)OCC	10795
+c1cc(ccc1C)-n2nc(cc2N)C(C)(C)COCc3ccccc3	752
+FC(F)(CO)CCCOC	118
+c1cc(ccc1)COCC(Nc2c(ccc(OC)n2)[N+]([O-])=O)CO	70
+c1cc(ccc1)COCC(C(O)=O)Oc2c(c(C(=O)N)c(F)cc2)F	4
+OB(O)c1ccc(C(CF)CO)c(C)c1	118
+c1cc(ccc1)COCC2C(=C)CCCC2	2114
+c1ccccc1COCC2CNCCN2	10796
+C1C(CC1=O)COCc2ccccc2	2744
+c1cc(ccc1)COCC2CN(c3ccn(n3)C)C(C2)=O	4034
+C1C(CC1N2C(NC(C(F)=C2)=O)=O)CO	118
+c1ccccc1C2(C(C2)CO)CN(S(=O)(=O)c3ccccc3)C	118
+OCC1COCc2nc3c(N)nc4c(c3n12)cccc4	118
+OCC1COCc2nc3cnc4ccccc4c3n12	118
+c1cc(ccc1)COCC2COCc3nc4c(c5ccccc5nc4N)n23	445
+c1cc(ccc1)COc2c(OCc3ccccc3)ccc(-c4ccc(cc4)C(OCCOCc5ccccc5)=O)c2	1908
+c1cc(ccc1)COCCOC(C)COc2ccc(cc2)OC	176
+c1cc(ccc1)COCCCN2C(=O)C3(c4c(OC3)cc5OCOc5c4)c6ccccc26	20
+c12OCOc1cc3C4(C(N(c5c4cccc5)CCCO)=O)COc3c2	118
+c1cc(ccc1)COCCCN2c3ccccc3C(C2=O)c4c(O)cc5OCOc5c4	462
+C1CN(CCC1)c2nc(C#N)nc3N(CCO)CCNc23	118
+c1cc(ccc1)COCCOC(C)CO	10797
+C(OC(=O)CCOCCO)C	118
+c1ccccc1COCCOc2c(cc(OC)cc2)CNc3cc(F)ccc3Oc4ccccc4	208
+c1cc(ccc1)COCN2C(C(=C(N(C)C2=O)c3c(cc(cc3)O)C)C)=O	241
+c1ccccc1COc2c(C)ccc(CO)c2	118
+c1(c2cc(ccc2nc(n1)CO)OC)NCc3ccc4OCOc4c3	118
+C1CC1Oc2c(ccc(-c3[nH]c4c(c(O)nnc4)c3Cc5ccccc5F)c2)OC(F)F	10798
+c1cc(ccc1)COCn2cc(CCCC=O)c3nc(CCCC)nc(c23)N	24
+c1cc(ccc1)COCn2c3c(nc(CCCC)nc3c(CCCCO)c2)N	2065
+c1cc(ccc1)CON2CC=CCC(NS(=O)(=O)c3ccc(cc3)F)C2=O	1946
+c1ccccc1CON2c3c(cc(C(O)=O)cn3)C(=C(C(OCC)=O)C2=O)O	1
+c1cc(ccc1)CON2C(=O)N3C(CCC2C3)C=O	24
+c1cc(ccc1)CON2C(N3CC2CCC3C(=O)O)=O	4
+c1cc(ccc1)CON2C(N3CC2CCC3C(=O)O)=O	3
+c1cc(ccc1)CON2C3CCC(CO)N(C3)C2=O	44
+c1cc(ccc1)CON2CC(CCCCC=C)C2=O	10799
+CC1(C)CCC(CC1)Cc2cc(c(-c3ccccc3)c(O)n2)OCOP(=O)(O)OCc4ccccc4	4406
+c1cc(ccc1)COc2cc(c(Br)cc2C(O)=O)OCc3ccccc3	426
+c1cc(ccc1)COc2c(cccc2-c3ccccc3)C(c4cc(ccc4)-c5c(cccc5)OC)C	4273
+c1cc(ccc1)COc2c(C(c3cc(-c4c(OC)cccc4)ccc3)=C)cccc2-c5ccccc5	2855
+C1CCCN1c2nc(c(O)c(C)c2C)C	321
+c1ccccc1COc2c(C)c(C)c(nc2C)NCc3ccccc3	340
+C(CCCCCCCCCCNc1c(c(c(c(C)n1)O)C)C)CCCCC	321
+O(CC)C(c1cccc(C=2CCCCC=2c3cc(Cl)ccc3O)n1)=O	16
+O(C)c1c(c(c(OC)c(OC)c1OC)C)Cc2c(c(C(OC)=O)ccc2)O	16
+CC(C)c1[nH]nc(OC2C(C(C(C(O2)CO)O)OC(C)=O)O)c1Cc3c(OCc4ccccc4)cccc3	59
+c1cc(ccc1)COc2c(Cc3c([nH]nc3OC4C(OC(=O)C)C(OC(=O)C)C(O)C(CO)O4)C(C)C)cccc2	59
+c1cc(ccc1)COc2cc(C=O)ccc2Cc3ccc(cc3)CC	39
+c1cc(ccc1)COc2c(Cc3ccc(cc3)CC)ccc(CO)c2	59
+c1cc(ccc1)COc2c(cc(OC(c3ccccc3)=O)cc2C)Cl	1039
+c1ccccc1COc2c(nccc2)NC(N)=S	401
+c12nc(Cc3cc(c(cc3)O)OC)n4nc(nc4c1ccc(NCCCO)c2)N	16
+c1c(c(O)c(cc1)OC)CC(OC)=O	16
+C1CN(CCC1)CCOc2ccc(cc2)Oc3c4ccc(cc4ccc3O)OC	16
+c1c(Cl)c(ccc1Cl)Oc2cc(C#N)c(cc2O)Cl	16
+c1ccccc1COc2ccc3c(c2N)CCC4C5C(CCC34)(C(CC5)=O)C	0
+c1ccccc1COc2cc3CCC4C(c3cc2N)CCC5(C)C4CCC5=O	0
+c1ccccc1COc2c(CO)c(C)cc(C)n2	269
+c1cc(ccc1)COc2ccc(c(c2F)F)N	0
+c1cc(ccc1)COc2ccc(CO)c(F)c2F	49
+c1cc(ccc1)COc2c(cc(C(O)C)c(C)n2)C#N	652
+c1c(O)c(cc(c1-c2c3c(sc(C#N)c3)nc(N)n2)Cl)Cl	16
+c1cc(ccc1)COc2c(cc(Cl)c(-c3nc(N)nc4sc(C#N)cc34)c2)Cl	4965
+c1c(O)c(cc(c1-c2c3c(sc(C(NCC)=O)c3)nc(N)n2)Cl)Cl	16
+c1cc(ccc1)C(Oc2cc(c(O)c(c2)C)Cl)=O	16
+c1cc(ccc1)COc2cc(F)c(F)cc2N	0
+c1c2c(c(cnc2cc3c1cc(c(c3)O)OC)C#N)O	16
+c1ccccc1COc2c(OCc3ccccc3)ccc(C=4Oc5ccccc5C(=O)C=4OCc6ccccc6)c2	3603
+C1CNCCC1c2ccc(cc2OCc3ccccc3)OCc4ccccc4	215
+c1cc(ccc1)COc2c(ccc(c2)CC)Oc3ccc(O)cc3F	173
+c1cc(ccc1)COc2c3CCNCc3ccc2OC	162
+c1cc(ccc1Cc2c(OCc3ccccc3)cccc2)Br	452
+c1cc(ccc1)COc2c(Cc3c(n[nH]c3C(C)C)OC4C(C(OC(=O)C)C(C(O4)CO)OC(=O)C)OC(C)=O)cccc2	59
+c1cc(ccc1)COc2c(C(c3cc(ccc3)-c4c(cccc4)OC)(C)O)cccc2-c5ccccc5	2157
+c1ccccc1-c2c(O)c(C(C)c3cccc(-c4c(OC)cccc4)c3)ccc2	16
+O(C)c1c(c(c(OC)c(OC)c1OC)C)Cc2c(c(ccc2)C(=O)O)O	16
+c1cc(ccc1)COc2c(C(=O)O)cccc2CC=3C(C(OC)=C(OC)C(C=3C)=O)=O	1450
+c1ccccc1COc2c(CO)cccc2C	98
+c1cc(ccc1)COc2nn(C)cc2CO	536
+c1ccccc1COc2cccnc2Nc3nc(cs3)CCN	45
+c1cc(ccc1)COc2c3CCC(=Cc3ccc2)CO	10800
+c1cc(ccc1)COc2c3CCC(=Cc3ccc2)C(=O)OC	10801
+c1cc2CNCCc2c(O)c1OC	16
+c12ccc(cc1c(O)c(c(CC(OC)=O)c2)C)F	16
+S(C)c1cc(ccc1Cl)Nc2c3c(n(C4C(C#N)CCOC4)n2)ccnc3O	700
+Clc1cccc(c1)-c2onc(C(C)Oc3n(c(-c4cc(ncc4)O)nn3)C)c2	700
+c1cc(ccc1)COc2c(OCc3ccccc3)ccc(-c4ccc(cc4)C(=O)O)c2	11
+c1cc(ccc1)COc2cc(C(=O)O)cc(OC)c2Br	1
+C1(CCOC1)Oc2cc(cc(O)c2)C(=O)OC	16
+c1cc(ccc1)COc2cc(cc(c2)C(O)=O)OC3CCOC3	1
+c1cc(ccc1)COc2cc(COC3CCCCO3)nc(C(=O)O)c2	6
+Cc1nn2C(=O)CC(C)=Cc2c1C(=O)OCC	10802
+Clc1cc(cc(c1)CC(OC)=O)O	16
+c1cc(ccc1)COc2cccc(c2)CCCN	15
+c1c(cccc1CCCn2nncc2)O	16
+C1CC(CCO1)(c2cc(F)cc(O)c2)C(OCC)=O	16
+C1COCCC1(c2cc(OCc3ccccc3)cc(F)c2)CO	44
+c1cc(ccc1)COc2cc(cc(F)c2)C(CO)(CC)O	95
+c1cc(ccc1)COc2cc(cc(C(=O)Nc3nn(C)cc3)c2)OC(C)COC	650
+c1cc(ccc1)COc2cc(cc(c2)OC(C)COC)C(=O)Nc3nn(cc3)CC	650
+c1cc(ccc1)COc2cc(cc(c2)OC(C)COC)C(=O)Nc3cnc(cn3)C	1351
+C(OC)C(Oc1cc(cc(O)c1)C(=O)OC)C	16
+c1cc(ccc1)COc2cc(OC(C)COC)cc(C(O)=O)c2	1
+c12oc(cc1c(cc(OC)c2)O)-c3cn4nc(sc4n3)OC	16
+C1(CCOC1)Oc2cc(C(Nc3ncc(C)nc3)=O)cc(O)c2	16
+c1cc(ccc1)COc2cc(cc(C(O)=O)c2)OCCCCCCCCCCCCCCCCCC	1
+c1cc(ccc1-c2oc(C)nn2)Oc3cc(cc(c3)O)C(=O)OC	16
+c1cc(ccc1)COc2cc(N)cc(Br)c2	0
+c1(Cl)c(Cl)c(OC)cc(O)c1	16
+C(=O)(OCC)c1sc2c(c(-c3cc(O)c(cc3Cl)Cl)nc(N)n2)c1	16
+c1cc(ccc1Oc2c(C(C)=O)c(OCc3ccccc3)cc(OCc4ccccc4)c2)[N+]([O-])=O	46
+C(OC)C(Oc1cc(C(Nc2ccn(C)n2)=O)cc(O)c1)C	16
+c1cc(ccc1)COc2cc(cc(OCc3ccccc3)c2)C4=CC(=O)c5c(cc(O)cc5)O4	3166
+c1cc(ccc1)COc2c(c(Oc3ccc(cc3)[N+]([O-])=O)cc(c2)OCc4ccccc4)-c5cc(C(=O)O)no5	6
+c1ccccc1COc2c3c([nH]c(c3)C(OCC)=O)cc(c2)C	3056
+c1cc(ccc1)COc2cc(OC3CCOC3)cc(c2)C(Nc4cnc(cn4)C)=O	1351
+c1ccccc1-c2cc(cc(c2)OCc3ccccc3)CC(O)=O	3
+C(OC)C(Oc1cc(C(Nc2ncc(C)nc2)=O)cc(O)c1)C	16
+c1n(nc(c1)NC(=O)c2cc(OC(COC)C)cc(c2)O)CC	16
+c1cc(ccc1)COc2cc(-c3ncc(C)o3)cc(OC)c2Br	2996
+c1cc(ccc1)COc2cc(C(=O)O)cc3cc(ccc23)C#N	6
+c1cc(ccc1)-c2c(ncc(N(CCc3cccc(OCc4ccccc4)c3)C)n2)-c5ccccc5	317
+c1cc(ccc1Cc2ccc(cc2O)CC(N)=O)CC	16
+C1CC(CCN1C=O)N2c3c(C(=O)N(Cc4ccc(OC)c(c4)OC)C2=O)cc(O)cc3	16
+CN(C)c1c(O)cc2c(C3CCC4(C(CCC4=O)C3CC2)C)c1	16
+C(C)OC(c1n(c2c(c(Cl)cc(c2)O)c1)C)=O	16
+c1cc(ccc1)COc2cc(c3c(c2)nc(O)cc3)C4CO4	5020
+c1cc(ccc1Oc2c3c(ncc2)cc(O)cc3)[N+]([O-])=O	16
+c1ccccc1COc2c(F)ccc3c2ccn3-c4ccc(c(F)c4)OCc5ccccc5	3005
+C1CC1(c2ccc(c(O)c2)OCc3ccccc3)C#N	16
+c1cc(ccc1)COc2ccc(C=CC(O)=O)cc2OC	108
+c1cc(ccc1C)CNC(C=Cc2cc(OC)c(cc2)OCc3ccccc3)=O	771
+c1ccccc1CNC(=O)c2c(C)nc(N3C=C(C=CC3=O)OCc4ccccc4)s2	10803
+c1cc(ccc1)COc2nc(N)c(cc2)N	13
+c1(nc(ccc1F)C(OC)=O)-c2c(ccc(O)c2F)F	16
+c1(ccc(c(F)c1F)O)N	16
+c1cc(ccc1)COc2nc(c3c(c4ccc(OC)cc4[nH]3)c2)C	10804
+c1cc(ccc1)COc2ccc(cc2)C3N(C(=O)C3CCC(c4ccc(cc4)F)O)c5ccc(cc5)F	74
+c1cc(ccc1N2C(c3ccc(cc3)O)C(CCC(c4ccc(cc4)F)O)C2=O)F	16
+c1cc(ccc1)COc2ccc(cc2)CC(CCC(O)=O)NC(CCCCCCc3ccccc3)=O	4
+c1cc(ccc1O)CC(C)(CCCc2ccccc2)C(=O)OCC	16
+c1cc(ccc1)COc2cc(O)c(OCc3ccccc3)cc2	173
+c1cc(ccc1)COc2ccc3c(ccc(c3)Cn4cc(c(-c5ccccc5)c4)C=O)c2	200
+c1cc(ccc1)COc2c(c(-c3scc(C(O)=O)n3)ccc2)OCc4ccccc4	6
+Nc1nc2c(CCN(CC=Cc3cccc(O)c3)CC2)s1	16
+O=C1N(c2c(cc(Oc3cccc(c3)O)c(N)c2)N1C)C	16
+c1(cccc(O)c1)Oc2cc3B(O)OCc3cc2	16
+C1C(CC(=O)N1c2cccc(C(=O)N)c2)c3cccc(O)c3	16
+c1cc(ccc1)COc2cc(ccc2)CCNC	695
+c1cc(ccc1)COc2c3CCC(C(OC)=O)C(O)c3ccc2	2261
+c1cc(ccc1N(C(=O)C2c3c(c(OCc4ccccc4)ccc3)CCC2)Cc5cnc(OC)cc5)C(C)C	429
+O=S(=O)(n1c2cccc(c2cc1)O)c3ccccc3F	16
+c1cc(ccc1)COc2c(cccc2)C(O)c3ccc(cc3)Br	257
+c1cc(ccc1SC)C(c2c(OCc3ccccc3)cccc2)O	257
+c1cc(ccc1)COc2ccccc2OCCO	168
+c1ccccc1COc2ccncc2O	2942
+c1cc(ccc1)COc2nc(NC(C)(C)c3ccccc3)nc(Cl)n2	387
+CC1(C)COC(CO1)CNc2c(ccc(O)n2)F	700
+Cc1nc(cc2c3ccc(OC)cc3[nH]c12)O	700
+c1ccccc1COc2c(CO)c(cc(C)n2)OC	351
+Clc1cccc(Cl)c1-n2c3c(nc2)ccc(n3)O	700
+c1nc(O)ccc1OCOC	700
+Clc1ccc(c(Cl)c1)-c2c(c(ncc2)O)[N+]([O-])=O	700
+c1cc(ccc1Nc2c3c(nccc3n(C(CC#N)C)n2)OCc4ccccc4)S(=O)(=O)N(C)C	781
+c1ccccc1COc2nn(C)cc2C=O	576
+c1cc(ccc1)Cn2nc(c(c2)CO)OCc3ccccc3	536
+O=S(=O)(c1ccc(cc1)C)C[N+]#CCc2c(nn(Cc3ccccc3)c2)OCc4ccccc4	5067
+c1cc(ccc1)COc2c(CC#N)cn(C)n2	881
+c1ccccc1CSC(C)(CN)CCO	157
+c1cc(ccc1)CSC2(CCOCC2)CN	157
+c1cc(ccc1)CSCc2cc(Cl)ccc2Oc3cc(CC(O)=O)ccc3OC	3
+c1cc(ccc1)CSc2c(cc3N(c4cc(c(Br)cc4OC)Cl)C(=O)C=Cc3c2)F	10805
+c1cc(ccc1Cc2ccccc2)-c3nn(C4CN(CCC4)C(OCc5ccccc5)=O)c(c3C#N)N	2300
+c1cc(ccc1)Cc2cc3cc(ccc3nc2Oc4ccc(F)cc4C(C)=O)N	0
+c1cc(ccc1)Cc2cn(CCNO)c3c2cccc3	2498
+c1cc(ccc1)Cc2c(-c3ccccc3)n(C)c4ccc(-c5ccc(cc5)O)cc24	5
+c1cc(ccc1)Cc2c3cc(-c4ccc(cc4)O)ccc3n(C)c2C	5
+c1cc(ccc1)Cc2c3cc(ccc3n(C)c2C)-c4ccc(cc4)OCC(=O)O	4
+c1cc(ccc1)Cc2cccc(c2)CN	162
+c1cc(ccc1)Cc2cc3c([nH]cc3CC[N+](=O)[O-])cc2	3068
+c1cc(ccc1)Cc2ccc3c(c(c[nH]3)CCN)c2	157
+c1cc(ccc1)Cc2cc3c(oc(-c4ccc(C(=O)C)cc4F)c3)cc2	155
+c1ccccc1Cc2cc3c(ccc(-n4cc(-c5ccccc5)nn4)c3)nc2Oc6c(C(=O)C)cc(cc6)F	2274
+c1cc(ccc1O)-c2ccc(C)n2CCCOc3ccc(cc3)Cc4ccccc4	16
+c1cc(ccc1)Cc2c3c(cccc3)n(CC=O)c2	59
+c1cc(ccc1)Cc2cnc(nc2)N3CCN(CC3)c4nc(ncn4)Nc5cnn(c5)CC(CO)O	265
+c1cc(ccc1)Cc2c(nc(C=C)c(-c3ccc(cc3C=C)OC)n2)N	4930
+c1cc(ccc1)Cc2onc(CCC=O)n2	598
+c1cc(ccc1)Cc2onc(CCCO)n2	237
+c1ccccc1Cc2nc(no2)CCCN3C(N(c4c(n(CC=C)c(Cl)n4)C3=O)CCCC)=O	10806
+c1cc(ccc1)Cn2cc(C)c(-c3ccc(cc3)Cl)c2C(O)=O	6
+c1cc(ccc1)CCC(c2ccccc2)c3n(Cc4ccccc4)cnc3	10807
+c1cc(ccc1)Cn2nc(C#N)cc2C	331
+c1cc(ccc1)Cn2nc(cc2CO)OCCC	398
+c1cc(ccc1)Cn2c(CCCO)cc(OCCC)n2	44
+c1cc(ccc1)Cn2c3C(N(C(=O)N(c3nc2CCl)C)CCCCC(O)C)=O	59
+c1cc(ccc1)Cn2c3cc(ccc3c(c2)C(C(=O)O)=O)-c4cccc(Cl)c4	2249
+c1cc(ccc1)Cn2c3c(c(OCC(OCC)=O)ccn3)cc2C	10808
+c1cc(ccc1)Cn2ccc3c(cccc23)CC4SC(NC4=O)=O	534
+c1ccccc1Cn2c3c(c4c2cccc4O)cccc3F	2302
+c1ccccc1Cn2c3cccc(C(=O)OC)c3c4c(cccc24)O	2302
+c1cc(ccc1)Cn2c(cc3c(O)ccnc23)C	5
+c1(cc(cc(C)c1Oc2c3c(cc[nH]3)nc(Nc4ccc(cc4)C#N)n2)C(C)=O)C	10809
+c1ccccc1Cn2c3C(=O)N(CCCCC(O)C)C(=O)N(c3nc2CN)C	18
+c1ccccc1Cn2c3ccc(cc3c4c2cccc4O)C	2302
+c1cc(ccc1)Cn2c3c(c(c4CCCCc4c3)O)c5c(C(OC)=O)cccc25	5
+c1cc(ccc1)Cn2cc(c(n2)OCc3ccc(c(OCc4nc(oc4C)-c5ccco5)c3)OC)CO	536
+n1n[nH]cc1CCCC(=O)O	3898
+c1cc(ccc1)Cn2cc(C=O)c(n2)OCc3ccc(c(OCc4nc(oc4C)-c5ccco5)c3)OC	576
+c1cc(ccc1)Cn2c3c(nc(nc3cc2)Nc4ccc(cc4)C#N)Oc5c(C)cc(cc5C)C(C)=O	744
+C1(N(C(=O)c2nc[nH]c2N1CCCC)CC)=O	2152
+c1cc(ccc1)Cn2c3ncccc3c(C(O)=O)n2	6
+c1cc(ccc1)Cn2cc(c([N+]([O-])=O)n2)CO	536
+c1cc(ccc1)COc2nn(Cc3ccccc3)cc2C=O	576
+c1ccccc1Cn2nc(cc2C=O)OCCC	178
+c1cc(ccc1)Cn2ncc(C(=O)Nc3cn(S(=O)(=O)c4ccc(cc4)C)c5ncc(cc35)Br)c2	276
+c1cc(ccc1)-c2nc3n(ccc(c3)NC(c4c(cnn4Cc5ccccc5)C(=O)OCC)=O)n2	187
+c1cc(ccc1[N+]([O-])=O)C(=O)c2ccc(cc2)F	222
+c1cc(ccc1CC(=O)c2ccc(cc2)F)SC	94
+c1cc(ccc1CO)Oc2ccccc2	754
+c1cc(ccc1)NC(=O)Nc2c(cc(c(C=3C(=O)N(c4c(cnc(NC(CC#N)=O)c4)C=3)CC)c2)F)F	446
+c1cc(ccc1)-c2ncc(c(-c3ccccc3Cl)n2)NC(Nc4ccccc4)=O	10810
+c1cc(ccc1)NC(=O)c2c(ncc(-c3ccc(cc3)S(=O)(=O)C)n2)N	466
+c1cc(ccc1C(Nc2ccccc2)=O)OCCCCCCCCCCCCCC	50
+c1cc(ccc1)Nc2ccc(cc2)C(=O)O	230
+c1cc(ccc1CNc2ccccc2)-c3ccccc3C(=O)OC	208
+c1cc(ccc1)Nc2nc3c(cccc3)c4c2nn(Cc5ccc(cc5)OC)c4	10811
+c1cc(ccc1)Nc2ncc(c(Cl)n2)CC(C(=O)OC)c3ccc(cc3)OC	55
+c1ccccc1COC(NCCCCc2ccc(cc2)OCC(Nc3ccccc3)=O)=O	33
+c1ccccc1Nc2cccc(-c3ccccc3)c2C#N	275
+c1ccccc1Nc2cc(NC(=O)c3ccccc3)c(cc2)C(=O)OC	230
+c1ccccc1CCC(C(NC(CC(C)C)C(Nc2ccccc2)=O)=O)CSC(C)=O	33
+c1cc(ccc1)NC2CN(Cc3ccccc3)CCC2	231
+c1cc(ccc1)NCC2CC(C)C(NCc3ccccc3)CC2	4704
+c1cc(ccc1)Nc2cnc(-c3ccc(c(c3)F)OCc4ccccc4)cc2	1674
+c1ccccc1Nc2c3ncn(C)c3nc(Cl)n2	1185
+c1nc(ncc1C(=O)OCC)Nc2ccccc2	1334
+c1ccccc1Nc2c3n(ccn3)cc(n2)Br	1638
+c1ccccc1Nc2nc(nc(n2)Cl)-c3ccccc3	360
+c1ccccc1NCc2c3c(cccc3)nc(O)c2	608
+c1cc(ccc1)Nc2nccc(-c3c(nn4ccccc34)-c5cc([N+]([O-])=O)ccc5)n2	2607
+c1ccccc1Nc2nc(CCl)nc3ccccc23	73
+c1ccccc1Nc2c3ccc(Cl)nc3ncn2	1665
+c1cc(ccc1)N(CCOc2ccc(cc2)O)C(C)C	72
+c1cc(ccc1C(=O)Nc2ccc(cc2)OC(=O)N(C)c3ccccc3)CCl	50
+c1cc(ccc1)N(C)S(=O)(=O)c2cc(c(cc2)Cl)N	0
+c12ccccc1cc3c(cc4ccccc4c3C=O)c2	2224
+c1ccccc1C(c2ccc(cc2)COCCN(CC)c3ccccc3)=O	149
+c1ccccc1NCCC2OC2	4955
+c1cc(ccc1)N(Cc2ccc3cc(CC4SC(=O)NC4=O)cnc3c2)C	10812
+c1cc(ccc1)N(Cc2cc3c(cc(cn3)C=O)cc2)C	200
+c1cc(ccc1)Nc2c3nccn3nc(c2)-c4cc5c(noc5cc4)N	10813
+c1cc(ccc1)N(c2ccccc2)C(=O)OCc3cccc(OCC(O)=O)c3Cl	4
+c1cc(ccc1)N(c2ccccc2)C(CNC(=O)Nc3cccc(O)c3)=O	5
+c1cc(ccc1)N(c2ccccc2)c3cc4c(cc3)[nH]c5ccccc45	10814
+c1cc(ccc1)N(c2ccccc2)c3ccc(cc3)C=Cc4ccc(cc4)C=Cc5ccc(cc5)N	106
+c1cc(ccc1)N2C(=O)C(=C3COCCN23)C(=O)Nc4cc(c(cc4)Oc5ccnc(N)c5)F	1779
+c1cc(ccc1)N2CCC(CN)CC2=O	18
+c1cc(ccc1)N2C(=O)NCc3nc(ccc23)F	5068
+c1cc(ccc1)CN2C(=O)N(c3ccccc3)c4ccc(nc4C2)F	1083
+c1cc(ccc1)N2C(C(C(O)=O)=C3N2CCOC3)=O	108
+c1cc(ccc1)N2C(C(Nc3ncnc(N)c3C(Nc4cc(ccc4O)C(=O)N)=O)C)=Nn5ccc(c5C2=O)C	5
+c1cc(ccc1)N2CCC(CC2=O)COCC	21
+c1cc(ccc1)N2C(=O)N(CC2)C3CCNCC3	25
+c1ccccc1N2C(c3cc(OC)ccc3)C(CO)CC2=O	95
+c1cc(ccc1)N2CCN3C2=NC=C(c4cc(F)c(OCc5ccccc5)cc4)C3=O	3818
+c1ccccc1N2C=C(C(c3ccc(cc23)Cl)=O)CN	1426
+c1cc(ccc1)N2CC3(CCC(CC3)C(=O)O)CC2=O	3
+c1cc(ccc1)N2C(=O)CC(CC2)CO	665
+c1cc(ccc1)N2CCN(CC2)C(NCCCC=O)=O	598
+c1ccccc1N2CCN3C(=O)C(=CN=C23)c4cc(c(O)cc4)F	16
+c1cc(ccc1)N2N3CCCC3=C(C2=O)C(=O)Nc4ccc(cn4)Oc5ccnc(N)c5	1779
+c1cc(ccc1NC(=O)Nc2ccccc2)-c3c(c(cc4ccc(Cl)cc34)CC(=O)OC)C	124
+c1cc(ccc1CCNc2c3ccc(OCCCCl)cc3ncn2)NC(Nc4ccccc4)=O	124
+c1ccccc1NC(=O)Nc2ccc(cc2)Oc3cc(ncn3)Cl	124
+c1ccccc1NC(=O)Nc2ccc(cc2)Oc3cc(N)ncn3	124
+c1ccccc1NC(Nc2ccc(cc2)CO)=O	10815
+c1cnccc1CCc2c[nH]c3c2cc(NC(=O)Nc4ccccc4)cc3	124
+c1ccccc1NC(=O)Nc2cc(-c3c(c(N)sn3)C(=O)N)ccc2	124
+c1ccccc1NC(=S)Nc2c([nH]c3c2cccc3)C(OCC)=O	4721
+c1ccccc1CN2C3(CCN(CC3)C(=S)Nc4ccccc4)NC(Cc5ccccc5)C2=O	1366
+c1cc(ccc1)NC(N2Cc3cc(OCC4CCN(CC4)c5ccncc5)ccc3CC2)=S	1366
+c1cc(ccc1F)-c2nc3sc(C(N(c4ccccc4)C)=O)c(C)n3c2	3227
+n1c(cc(c2ccccc12)CBr)O	10816
+c1cc(ccc1)N2CCC(N3CCc4c3ccc(F)c4Cl)C2=O	10817
+c1cc(ccc1F)-c2cnn3c2CN(C(=O)Nc4ccccc4)CC3	10818
+c1cc(ccc1)NC(NC(CCCCNC2CC2c3ccc(cc3)F)C(=O)N4CCCCC4)=O	285
+c1cc(ccc1-c2nc(C(=O)Nc3ccccc3)c(nc2)N)C(O)=O	356
+c1cc(ccc1)NC(n2ccc3cc(ccc23)N)=O	0
+c1cc(ccc1F)-n2c(N)c(C(c3cccc([N+]([O-])=O)c3)=O)cn2	10819
+c1ccccc1Nc2c3ncn(C)c3nc(Cl)n2	1545
+c1ccccc1NCC2CCC(C(C2)C)N	273
+c1cc(ccc1)N(C(C2=C3N(C(C(c4ccc(cc4)OCc5ccccc5)=C2)=O)C=Cc6ccsc36)=O)CCOC	5069
+c1cc(ccc1)N(CCOC)C(=O)C=2C=C(C(N3C=Cc4n(cnc4C=23)C)=O)c5ccc(cc5)OCc6ccccc6	5069
+c1cc(ccc1)N2N=C(CC2=O)c3ccc(cc3)OC	10820
+c1cc(ccc1)Nc2cc(NC(=O)NCC)ncc2C(O)=O	6
+c1cc(ccc1)Nc2c(c(N)c(cc2C(OC)=O)N)F	0
+c1cc(ccc1)Nc2c(Cl)c(c(N)cc2C(OC)=O)N	0
+c1cc(ccc1)Nc2cc(nc(N)n2)-c3cc4c(c(N)n[nH]4)cc3	10821
+c1(C(=O)O)ccc2c(Nc3ccccc3C2=O)c1	358
+c1ccccc1Nc2c(C(Nc3ccccc3Cl)=O)cnc(c2)NC(NCC)=O	246
+c1cc(ccc1)Nc2ccc(cc2)C(NCC(O)=O)=O	3
+c1cc(ccc1)Oc2cccc(Nc3ccccc3)c2C#N	46
+c1ccccc1Nc2ccccc2S	10822
+c1ccccc1Nc2cnc(-c3cc(F)c(cc3)O)cc2	16
+c1ccccc1Nc2c(Cl)cnc(Nc3ccc(cc3)C(=O)O)n2	55
+c1cc(ccc1OCC(CNC(C)C)O)Nc2nc(c(Cl)cn2)Nc3ccccc3	55
+c1ccccc1Nc2c3c(c4c(cccc4)n2)c[nH]n3	10823
+c1cc(ccc1)Nc2nc(c(cn2)Cl)C(=O)O	1
+c1cc(ccc1)Nc2nc3c(cn2)CC(C(N3CC4CC4)=O)c5ccc(cc5)OC	10824
+c1cc(ccc1)Nc2nc(-c3c(nn4ccccc34)-c5cc(N)ccc5)ccn2	0
+c1cc(ccc1)Nc2nc(ccn2)O	104
+c1cc(ccc1)Oc2ccc(cc2)-c3nc(CCOCc4ccccc4)c(C)o3	304
+C1CC2(CCN1CCC(c3ccccc3)Oc4ccccc4)CCN(Cc5ccc(cc5)Br)C2=O	20
+c1ccccc1Oc2ccc(cc2)CCC(S(=O)(=O)C)(C(=O)OCC)C	472
+c1ccccc1OCC(n2c3cc(F)c(cc3nc2-c4ccc(cc4)Cl)F)C5CCCCC5	20
+c1ccccc1Oc2ccc(cc2C(=O)OC)C(c3ccc(cn3)Br)=O	46
+c1ccccc1Oc2nc(OCc3c(cccc3N4C(N(N=N4)C)=O)C)ccc2	1237
+c1cccc2c1c(c3ccccc3c2Oc4ccccc4)-c5c6c(cccc6)c(C)cc5	304
+c1ccccc1Oc2nc(c(c(C)n2)C(NCCCc3ccccc3)=O)-c4cc(Cl)cc(Cl)c4	2914
+c1cc(ccc1)CN2CCC(CC2)CCNc3c(C)c(nc(c3[N+]([O-])=O)Oc4ccccc4)C	136
+c1ccccc1CN2CCn3nc(cc3C2)COc4ccccc4	20
+c1cc(ccc1)OCc2cnc(OC)cc2	20
+c1ccccc1OCc2nc3n(c2)nc(cn3)-c4c(F)cc(F)cc4	2303
+c1cc(ccc1C(=O)c2ccc(cc2)OC)Br	222
+c1cc(ccc1C(c2ccc(cc2)[N+]([O-])=O)=O)OC	222
+c1cc(ccc1C(Cc2ccc(cc2)Cl)=O)OC	214
+c1cc(ccc1NC(Nc2c(cc(Cl)c3ccc(OC(=O)C)cc23)Cl)=O)CCC	446
+c1cc(ccc1F)CC2CN(CCC2)C3CCC4CN(CC34)C(=O)Nc5cc(-c6n(nnn6)C)cc(CC)c5	437
+c1cc(ccc1F)CCN2CCC(C)C(CNC(Nc3cc(CC)cc(-c4n(nnn4)C)c3)=O)C2	238
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	238
+c1cc(ccc1-c2nnnn2C)NC(=O)NCCCN3CC(CCC3)Cc4ccc(cc4)F	238
+c1cc(ccc1F)-n2ncc3cc(C(C)(C)C(C)(C)CNC(Nc4nccs4)=O)ccc23	238
+c1cc(ccc1)OC(N(CCN2CCCc3c2ccc(N)c3)C)=O	0
+c1cc(ccc1)OC(N2C3C4CCOCC4(c5cc(ccc5C3)O)CC2)=O	173
+C12C3NCCC1(COCC2)c4c(ccc(OCC)c4)C3	10825
+c1ccccc1C2(CCC2)NC(=NC#N)Nc3cc(c(Cl)nc3)N	10826
+c1cc(ccc1NC(=O)Nc2cc(C)no2)Oc3c4cc(c(OCCOC)cc4ncc3)C#N	446
+c1cc(ccc1Cl)CC2CN(C2)CCCNC(=O)Nc3nnc(CC)s3	238
+c1cc(ccc1Cl)SC2CN(C2)CCC(CO)NC(=O)Nc3sc(nn3)CC	238
+c1cc(ccc1)OC(c2ccc(nn2)C(=O)O)C	1
+c1cc(ccc1NC(c2oc3c(cccc3)c2C)COc4ccccc4)C(OC)=O	5070
+c1cc(ccc1)OCC(Nc2ccc(cc2)C(NCCC(O)=O)=O)c3oc4c(cccc4)c3C	3
+c1ccccc1OCc2[nH]c3ccccc3n2	442
+c1cc(ccc1OC)C(=O)c2ccc(cc2)OCCCl	222
+c1ccccc1OCCNc2c3c(cccc3)ncc2[N+](=O)[O-]	105
+c1cc(ccc1)OCCN(c2c(nc(s2)-c3ccc4OCCNc4c3)C(OCC)=O)C	621
+c1ccccc1OCCN(c2sc(nc2C(OCC)=O)-c3ccc4OCCN(C(=O)Nc5nc6c(cccc6)s5)c4c3)C	2143
+c1cc(ccc1F)C(N2CCn3nc(COc4ccccc4)cc3C2)=O	115
+c1ccccc1OCc2oc(c(CCO)n2)C(OCC)=O	118
+c1cc(ccc1)Oc2cccc(c2CN)N	107
+c1cc(ccc1)Oc2ccc(cc2C(=O)O)C(=O)c3ncc(cc3)N(C)c4ccc(cc4)Cl	1
+c1cc(ccc1)Oc2cccc(c2NC(=O)C)CC(O)=O	3
+c1ccccc1Oc2c(c(NCCOC(=O)C)c(C)c(C)n2)N	13
+c1ccccc1Oc2nc(C)c(C)c(NCCOCCCc3cnccc3)c2N	13
+c1ccccc1Oc2nc(C)c(C)c(NCCOCCCc3sccn3)c2N	13
+c1ccccc1Oc2nc(C)c(c(c2N)NCCCCCCl)C	13
+c1cc(ccc1)Oc2c(cc(F)cc2)N(C(=O)C)Cc3c(ccc(OC)c3)OCCO	168
+c1cc(ccc1)Oc2c(cc(c(C(C)=O)c2)O)NS(=O)(=O)C	5
+c1ccccc1Oc2nc(c(C)c3c2nc(C)n3CCCCCSc4ccccc4)C	1107
+c1cc(ccc1)Oc2c3c(ccc2)c(OC)c(nc3C#N)C(NCC(O)=O)=O	4
+c1cc(ccc1)Oc2c3c(c(OC)c(nc3C#N)C(O)=O)ccc2	1
+c1ccccc1Oc2cccc3c2ccc(n3)C	2207
+c1c(OC)ccc2c1nccc2O	10827
+c1cc(ccc1)Oc2c3nc(n(CCO)c3c(C)c(n2)C)C	59
+c1ccccc1Oc2cnc(cc2)CO	813
+c1cc(ccc1)Oc2cc(Br)cnc2Nc3nc(cs3)CCC(=O)O	4
+c1cc(ccc1)Oc2cc(Br)cnc2Nc3scc(n3)CCc4oc(C)nn4	1037
+c1cc(ccc1)Oc2c(cc(c(c2)C)N)C3=CN(C)C(=O)C=C3	0
+c1ccccc1Oc2c3CCCC(=O)c3nc(C)c2	955
+c1ccccc1Oc2c(cnc(N3CCOCC3)c2)C(O)=O	6
+c1cc(ccc1NCCNc2nc(N)c(C(=O)NCc3sc(cc3)Oc4ccccc4)cc2)[N+]([O-])=O	60
+c1cc(ccc1-c2c3c(n(n2)C4CC5(C4)CCCNC5)ncnc3N)Oc6ccccc6	62
+c1cc(ccc1-c2nn(C3CCNCC3)c4c2c(N)ncn4)Oc5ccccc5	25
+C1CNCCC1c2cc3[nH]nc(N)c3c(n2)-c4ccc(cc4)Oc5ccccc5	62
+c1ccccc1Oc2cc(ccc2)C(C#N)OC(=O)C(C(C)C)c3ccc(cc3)N=[N+]=[N-]	204
+c1ccccc1Oc2cc(ccc2)Nc3cc(Cl)ncn3	73
+c1ccccc1Oc2cccc(Nc3ccccc3)c2CN	107
+c1ccccc1Oc2cccc(n2)CN	421
+c1cc(ccc1)Oc2cc(OCCOC)c(N)nc2	161
+c1cc(ccc1)Oc2sc(CN)cc2	10828
+c1cc(ccc1Cl)-c2nc(Cl)c(C#N)cc2	10829
+c1cc(ccc1OC)-c2cc(CN=[N+]=[N-])ccc2OC	925
+c1cc(ccc1Oc2c([N+](=O)[O-])cc(cc2)Cl)C(N=[N+]=[N-])C	841
+c1cc(ccc1COC(N2CCC(C(C2)F)CN)=O)C	10830
+[N-]=[N+]=NC1c2c(ccc(c2)F)CCC1	841
+[N-]=[N+]=NCc1ccc2c(ccc(n2)C)c1	925
+c1ccccc1P(c2ccccc2)(c3ccc4ccccc4c3-c5c6c(cccc6)ccc5N)=O	2622
+c1cc(ccc1C)C=2c3c(C(=O)N(N)N=2)cccc3	10831
+c1cc(ccc1)P(c2ccccc2)(c3cc(ccc3)O)=O	5
+c1ccccc1CN2CCC(CC2)N(CCCCOCCBr)C(C)C	10832
+c1cc(ccc1-c2c(nc(s2)NC(=O)C)-c3ccc(cc3)C=CC(=O)OCC)S(=O)(=O)C	4668
+c1cc(ccc1Cl)Cc2c3c(n(CCCC=CC(=O)OCC)c2Br)cccc3	1667
+c1cc(ccc1S(=O)(=O)NCC2Cc3cc(C=CC(=O)OCC)ccc3C2)Cl	530
+c1cc(C=CC(OCC)=O)ncc1Br	10833
+c1ccccc1C(c2ccccc2)(C=CC(OCC)=O)CC#N	1667
+c1cc(ccc1C(c2ccc(cc2)F)=C(C=CC=O)c3n(nnn3)C)F	5071
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(n3nnnc3)C=CC=O	5071
+c1cc(ccc1)P(c2ccccc2)c3ccc(cc3)P(O)(O)=O	228
+c1cc(ccc1)P(c2ccccc2)c3ccc(cc3)P(OCC)(O)=O	228
+c1cc(ccc1Sc2ccccc2)C=O	825
+c1cc(ccc1Sc2ccccc2)C(CCC(O)=O)=O	815
+c1ccccc1CN(Cc2ccccc2)c3c4ncn(c4c5ccccc5n3)CCCCSc6ccccc6	1107
+c1ccccc1COC=2C(C=C(CNS(=O)(=O)c3cccc(C)c3)N(C=2C(O)=O)C)=O	10834
+O=S(=O)(C1CN(C(CC(=O)C)=S)C(C1)C(OC)=O)c2ccccc2	4940
+c1ccccc1S(=O)(=O)CC(O)Cn2cncc2	100
+c1cc(ccc1)S(=O)(=O)CC=CC=CC(O)=O	127
+c1ccccc1S(=O)(=O)CCCC(=O)C	1965
+c1cc(ccc1)S(=O)(=O)CCCc2n(CCCC)nc(C(=O)O)c2	6
+c1cc(ccc1)S(=O)(=O)CCCc2cc(C#N)nn2CCCC	331
+c1ccccc1S(=O)(=O)Cc2cc(N3CCN(CC3)Cc4ccccc4)ccc2[N+]([O-])=O	1177
+c1ccccc1S(=O)(=O)Cc2nc(-c3ccc(cc3)NC(Oc4ccccc4)=O)nc(N5CCOCC5C)c2	90
+c1cc(ccc1)S(=O)(=O)N2c3ccc(cc3CC2)CC	165
+c1cc(ccc1)S(=O)(=O)N2CCc3cc(ccc23)C=O	39
+c1cc(ccc1)S(=O)(=O)N2c3ccc(COC)cc3CC2	49
+c1cc(ccc1)S(=O)(=O)N2c3c(cc(C=CC(=O)OC)cc3)CC2	530
+c1cc(ccc1)S(=O)(=O)N2c3ccc(cc3CC2)C=CC(O)=O	127
+c1cc(ccc1)S(=O)(=O)N2CCc3cc(CO)ccc23	88
+c1cc(ccc1)S(=O)(=O)NCC=2OC(C=O)=C(OCc3ccccc3)C(=O)C=2	3124
+c1cc(ccc1)S(=O)(=O)Nc2ccsc2C(O)=O	1
+O=S(=O)(c1c(N)[nH]c2ccc(Cl)cc12)c3ccccc3	2574
+c1ccccc1COC(N(C)CC(NCc2c3c(ccc2)cc(cc3)S(=O)(=O)c4ccccc4)=O)=O	9
+c1cc(ccc1)S(=O)(=O)c2ccc3c(CN)cccc3c2	107
+c1cc(ccc1)S(=O)(=O)n2ccc(C=O)c2C	200
+c1cc(ccc1)S(=O)(=O)n2c3c(cc(F)cn3)cc2C(=O)CC(C)C	955
+CC(C)C=C(c1n(c2c(cc(cn2)F)c1)S(=O)(=O)c3ccccc3)OS(=O)(=O)c4ccc(cc4)C	10835
+O(C)c1c(ccc(-c2c[nH]c3c2cccc3)c1)OC	741
+c1cc(ccc1)S(=O)(=O)n2cc(C=O)c(c2Br)C(C)C	5072
+c1(cc(cc(Cl)n1)-c2c3c(ncc(OC)c3)[nH]c2)Cl	1017
+O=S(=O)(N)c1c(Cl)ccc(C(=O)c2cc[nH]c2)c1	4159
+c1cc(ccc1)S(=O)(=O)n2cc(CCN)cc2	157
+c1cc(ccc1)S(=O)(=O)n2c(C)c(cc2)CO	351
+c1cc(ccc1-c2c3c(ncc2)n(cc3)S(=O)(=O)c4ccccc4)S(=O)(=O)N5CCCC5	2070
+c12cnc3[nH]ccc3c1n(nn2)C4CCC(NC(OC)=O)C4	1017
+c1cc(ccc1)S(=O)c2c3ccccc3n(Cc4ccccc4)c2	190
+c1ccccc1S(=O)(=NC(c2cc(C#Cc3cc(NC(c4c(cco4)C)=O)ccc3)cnc2)=O)CC(=O)OCC	3144
+c1cc(ccc1)S(CC2N(C(=O)C2)C(=O)NCc3ccccc3)=O	10836
+c1cc(ccc1Cl)CCC(=O)C2(CC2)Sc3ccccc3	1847
+c1ccccc1Sc2ccc(Br)cc2CO	98
+c1ccccc1Sc2ccc(cc2CO)F	611
+c1cc(ccc1)Sc2c(cc(cc2)Nc3c(cnc4ccc(N)cc34)C#N)Cl	0
+c1cc(ccc1-c2ccc(-c3sc(cc3)C=CC)c(c2)F)CC	10837
+CC(C)c1c(C(=O)OC)c(c(CC)n1Cc2ccccc2)C=CCC	10838
+c1cc(ccc1-c2cc(F)c(cc2)C=3[Se]C(C=CCCC)=CC=3)CC	4928
+c1cc(ccc1C=Cc2ccc(cc2)Cl)Br	3158
+c1cc(ccc1C(O)=O)C=Cc2ccc(cc2)OCCCCCCO	3158
+n1(c(C=Cc2nn3c(n2)nc(C)cc3C)nc(Br)n1)C	10839
+C1CC(CCC1Oc2c(ccc(Br)c2)Cl)O	701
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC#CCCO	168
+c1cc(ccc1Cl)C2C(CC(C)(C(=O)N2C(CC)CO)CC=C)c3cccc(c3)Cl	5073
+c1ccccc1[Si](c2ccccc2)(OCC3CCC(C)CN3)C(C)(C)C	2
+c1nc(ncc1)-c2c(nc(cc2)C)C(=O)N3C(CO)CCC(C)C3	701
+CC(C)(C)OC(N1CC2CC2CC1CO)=O	701
+C1C(CC1OC2OCCCC2)CCO	701
+C1OC(OCCCCC#CCCCCCCCCCCO)CCC1	701
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCCC=O	24
+c1cc(ccc1OCc2ccccn2)-c3nc(c(o3)C)CCO	5073
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(ccc(c3Cl)-n4c(CN)ccc4)Cl	421
+C1(CN(CC(C)O1)c2c(cc(C(=O)c3ccccc3)c(F)c2F)CO)C	701
+CC1CN(CC(C)O1)c2c(CO)cc3c(noc3c2F)C(=O)OCC	10840
+C1CC1C(CC(=O)OCC)c2cccc(CO)c2	701
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3nc(oc3)-c4ccc(cc4)F	4235
+CC(C)(C)Cc1c(-c2cc(OC)ccc2F)ccc(CO)n1	10841
+c1cc(ccc1F)-c2occ(CO)n2	701
+c1cc(ccc1)[Si](c2ccccc2)(OCCN(Cc3ccc(cc3)C(OC)=O)C)C(C)(C)C	328
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCc3cc(nc(n3)S(=O)(=O)C)Nc4ccc(cc4)F	328
+c1cc(ccc1)[Si](c2ccccc2)(OCCn3cc(cn3)I)C(C)(C)C	328
+c1cc(ccc1COC(=O)N2CCC(NC(c3nc(sc3)N4CC(C4)O)=O)C2)[N+]([O-])=O	5074
+CC(C)(CN1c2c(C(OC(CC(OCC)=O)C1=O)c3cccc4ccccc34)cc(cc2)Cl)CO	701
+c1cc(ccc1)[Si](c2ccccc2)(OCC(CO)C)C(C)(C)C	95
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC(COc3ccc(cc3)Br)C	20
+C1CCCCC1(CC)CCO	5074
+c1cc(ccc1CN2C=C(CCO)N(CCC)C2=O)C	701
+c1cc(ccc1)[Si](c2ccccc2)(OCCC=3C(=O)N(C=CC=3)c4c(cc(N)cc4)OC)C(C)(C)C	0
+O=S1(=O)N(CCCO)Cc2ccccc2N1	701
+c1ccccc1[Si](c2ccccc2)(OCCN(C)Cc3ccc(cc3)CO)C(C)(C)C	98
+c1cc(ccc1)[Si](c2ccccc2)(OCCOC3CCC(CC3)CO)C(C)(C)C	95
+c1cc(ccc1)[Si](c2ccccc2)(OCCOC3CCC(CC3)C=O)C(C)(C)C	24
+c1cc(ccc1)[Si](c2ccccc2)(OCc3c(c(F)c(F)c(C(c4ccccc4)O)c3)N5CC(C)OC(C)C5)C(C)(C)C	1641
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(c(F)c(c(C(=O)c4ccccc4)c3)F)N5CC(C)OC(C5)C	335
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3cc4c(c(F)c3N5CC(C)OC(C)C5)onc4C(=O)OCC	10842
+c1cc(ccc1)[Si](c2ccccc2)(Oc3cc(OC)c(c(c3)OC)CO)C(C)(C)C	41
+c1cc(ccc1-c2nc(c(o2)C)CCl)C(OC)=O	10843
+c1cc(ccc1-c2[nH]c3ncc(c(c3n2)I)Cl)C(O)=O	1
+c1cc(ccc1)N2C=C(C(=O)c3ccc(cc23)Cl)CNC(c4ccc(cc4)-c5[nH]cnn5)=O	2460
+c1cc(ccc1-c2c(-c3ccccc3)nc4c(CCCN4CCCCCCC(=O)O)n2)C	3
+c1cc(ccc1C)-c2c(c(C)nc(CC(C)C)c2CN)C(=O)OC	388
+c1cc(ccc1OCCN)-c2c(C#N)c3c(n2CC)cc(cc3)OC	18
+c1cc(ccc1F)-c2c(C=O)n(Cc3ccc(cc3)-c4c(C#N)cccc4)c(CCCC)n2	371
+c1cc(ccc1-c2ccccc2C#N)CC=3C(N(Cc4ccccc4)C(=CC=3O)C)=O	10844
+c1cc(ccc1-c2c(C#N)cccc2)CN3C(=O)C=C(N=C3CCC)CC	10845
+c1cc(ccc1-c2c(C#N)cccc2)CN3c4sc(CC)cc4C(=O)NC3=O	4805
+c1cc(ccc1OC)C(=O)CN2C(=O)c3c(N(Cc4ccc(cc4)-c5c(C#N)cccc5)C2=O)sc(c3)CC	1833
+c1cc(ccc1-c2onc(c2C(O)C(F)(F)C=Cc3ccc(cc3)F)C)Br	1046
+c1cc(ccc1-c2c(C(NC)=O)c3c(cc(N(C)S(=O)(=O)C)c(C4CC(C(=O)O)N(C)C4)c3)o2)F	4
+c1cc(ccc1-c2c(C(NC)=O)c3c(cc(N(C)S(=O)(=O)C)c(C4CC(c5oc6c(n5)c(ccc6)F)N(C4)C)c3)o2)F	1692
+c1cc(ccc1)CCNC(=O)c2c(noc2-c3ccc(cc3)Br)C	5006
+c1cc(ccc1-c2cc(O)ccc2C(O)=O)F	5
+c1cc(ccc1-c2c(c(C(=O)O)nn2-c3c(Cl)cc(cc3)Cl)C)OCCCF	6
+c1cc(ccc1C(O)=O)-c2c(C)ccc(NC(c3cocc3)=O)c2	1
+c1cc(ccc1-c2c(C)nc(c(C(N)=O)n2)C)-c3cc(C)c(CC(=O)O)cc3Cl	3
+C1CC(CCC1N2c3ncnn3C(=C(C2=O)Cc4ccc(cc4)-c5c(C6=NOC(=O)N6)cccc5)CCC)C#N	143
+c1cc(ccc1CC(=O)O)-c2c(C3CC3)nccn2	4
+c1cc(ccc1Cl)-c2[nH]c3c(sc(C(OC)=O)c3)c2C4CCCCC4	10846
+c1cc(ccc1-c2c(cnn2C)C=CC(Nc3ccc(cc3)CC(OCC)=O)=O)F	1313
+CN(C)c1c(C=CC(OC)=O)c(c2ccccc2n1)-c3ccc(cc3)F	4217
+c1cc(ccc1-c2sc(C(=O)c3occc3)cc2CC(=O)O)C#N	3
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OCC)-c4c(c(C)no4)CCOCc5ccncc5	149
+c1cc(ccc1-c2c(Cl)cc3c(CC(=O)N3)c2)Cc4c(cccc4)O	5
+c1cc(ccc1NC(C=2C(=O)C(c3ccc(cc3)F)=CN(CCF)C=2)=O)-c4c(ncc(Br)c4)N	10847
+c1cc(ccc1-c2ccccc2[N+]([O-])=O)-c3nc4ccccc4o3	10848
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(cn3)C(=O)O)F	1
+C1CN(CCO1)c2ccc3c4c([nH]c3c2)c(cc(Br)n4)C(=O)OC	5075
+c1cc(ccc1-c2c(ncc(c2CC)Br)N)O	5
+c1cc(ccc1-c2scc(CSc3c(C#N)c(-c4ccc(cc4)OC5CCOC5)c(C#N)c(N)n3)n2)Cl	2837
+c1cc(ccc1CC)-c2csc(c2C(=O)O)N3C(=O)c4c(cccc4)C3=O	6
+c1cc(ccc1-c2c(C(OCC)=O)c3cc(Br)c(N)cc3o2)F	0
+c1cc(ccc1F)-c2oc3c(c2C(=O)NC)cc(-c4ccc5n(c(cn5)-c6ccc(cc6)F)c4)c(N(C)S(=O)(=O)C)c3	3225
+c1cc(ccc1F)-c2c(c3c4CC(C)(C)Oc4ccc3o2)C(=O)O	1
+c1cc(ccc1-c2oc3c(cc(Br)c(c3)N4CCCC4=O)c2C(=O)O)F	6
+c1cc(ccc1-c2c(C(=O)O)c3c(o2)cc(c(Br)c3)NS(=O)(=O)C)F	6
+c1cc(ccc1C#N)-c2nc(c(O)cc2-c3ccc(cc3)F)O	104
+c1cc(ccc1-c2c(O)cccc2)-c3c(cc4c(c(c[nH]4)C(O)=O)c3)Br	1
+c1ccccc1-c2cc3c4n(cnn4)ccc3nc2-c5ccc(cc5)C=O	494
+c1ccccc1-c2cc3c4nnc(CO)n4ccc3nc2-c5ccc(cc5)C=O	494
+c1cc(ccc1CC(NC(=O)CCC(=O)O)CC(=O)O)-c2c(ccc(F)c2)OC	3
+c1cc(ccc1C(NS(=O)(=O)c2ccccc2-c3ccc(cc3)CN4C(=O)N(N=C4CCCC)c5c(Cl)cccc5)=O)F	2909
+c1cc(ccc1-c2c(cccn2)CC)C(O)=O	1
+c1cc(ccc1-c2c(cnn2C)C=CC(Nc3ccc(cc3)CC(O)=O)=O)F	3
+CC(C)n1c(c(c(-c2ccc(cc2)F)c1C=O)-c3ccc(cc3)F)C(O)=O	6
+c1cc(ccc1N)-c2c(n3ncc(C(OCC)=O)c3nc2)N	0
+c1cc(ccc1)COCc2nc(N)nc(c2-c3ccc(cc3)OCc4ccc(cc4)Cl)N	22
+c1cc(ccc1OC)-c2ccc(O)nc2-c3ccc(cc3)OC	1220
+c1cc(ccc1-c2sc(nc2-c3ccc(cc3)CCCO)NC(=O)C)S(=O)(=O)C	10849
+c1cc(ccc1OC)-c2c(nc(N)s2)C	1176
+c1cc(ccc1-c2nc3nccn3cc2-c4ccc(cc4)F)C=O	198
+c1cc(ccc1C)NS(=O)(=O)Nc2c(c(OCCOc3ncc(cn3)Br)ncn2)-c4ccc(cc4)C	482
+O=S1(=O)CCN(CC1)c2ccc(cc2)-c3nc(-c4cccc(Cl)c4F)oc3C5C(CCCC5)C(O)=O	4
+c1cc(ccc1-c2c(oc3ncnc(OC4CCCN(CCCC(=O)O)C4)c23)-c5ccccc5F)OC	4
+c1cc(ccc1-c2c(C(O)=O)sc(n2)C)F	1
+c1cc(ccc1S(=O)(=O)N)-c2c(C(O)=O)sc(c2)-c3ccc(cc3)Cl	6
+c1cc(ccc1-c2sc(nc2-c3ccc(cc3)CCCN4C(c5c(C4=O)cccc5)=O)NC(=O)C)S(=O)(=O)C	966
+c1cc(ccc1Cl)-c2c(C(O)C(OC)=O)c(C)nc3[nH]c(c(C)c23)C	10850
+c1cc(ccc1-c2nn(c3c(cccc23)C)CCCCC)O	5
+c1cc(ccc1-c2nn(c3c(cccc23)Cl)C(C)C)O	5
+c1cc(ccc1N)-c2c3c(cc(CC(=O)OC)c2C)ccc(c3)Cl	0
+c1ccccc1-c2n(c3cccc(-c4ccc(cc4)O)c3c2C)Cc5ccccc5	5
+c1cc(ccc1-c2c3c(ccn2)c(CC(OCC)=O)ccc3)N	0
+c1cc(ccc1-c2c3c(n(C)c(-c4ccccc4)c3C)ccc2)O	5
+C1CCC(C1)n2c3c(c(-c4ccc(cc4)O)n2)cccc3F	5
+c1cc(ccc1-c2c3ccc(-c4cc(N)ccc4)cc3n(-c5cc(NC)ncn5)c2)OC	0
+c1cc(ccc1F)-c2c3c(nc(c2C=CC=O)N(C)C)cccc3	5076
+c1cc(ccc1-c2cccn3ccnc23)N	0
+C1CN(CCC1c2c[nH]c3c(C(=O)N)cc(cc23)-c4ccc(cc4)C=O)S(=O)(=O)CC	39
+c1cc(ccc1-c2noc(C(=O)CC)c2)OC	3153
+c1cc(ccc1C)-c2cc(C(O)=O)cc(c2)C(N(C)CC(C)C)=O	6
+c1cc(ccc1C(C)C(Nc2ccc(cc2)-c3cc(C)ncc3)=O)N	0
+c1cc(ccc1-c2ccc(c(c2)C=C(C(O)=O)C)N3C(CCC3)C)OCCOCCCC	108
+c1cc(ccc1-c2cc(c(O)cc2)CC)C(=O)C	5
+c1cc(ccc1CC2SC(=O)NC2=O)-c3cc(CN(C(c4ccccc4)=O)C)ccc3	534
+c1cc(ccc1-c2cc(c(C3=CC=C([Se]3)CCCCC)cc2)F)CC	5046
+c1cc(ccc1-c2ccc(c(F)c2)O)C(=O)O	5
+c1cc(ccc1-c2cc(F)c(cc2OC)F)OCc3nc(cs3)C(=O)O	6
+c1cc(ccc1-c2cc(F)ccc2)C(CCC(O)=O)=O	4
+c1cc(ccc1-c2c(cc(O)c(OC)n2)-c3ccc(cc3)F)C#N	390
+c1cc(ccc1O)-c2onc(OCOC)c2	16
+c1cc(ccc1-c2c[nH]c(C(O)=O)c2)Cl	1
+c1cc(ccc1OC)-c2[nH]nc(c2)CO	194
+c1cc(ccc1-c2cnc(c(c2)C(=O)O)C)Cl	6
+c1cc(ccc1Cl)-c2cc(F)c(C3C(=O)CC(C3=O)CC#C)c(c2)Cl	10851
+c1cc(ccc1F)-c2c(O)c(N)cc(C(=O)OC)c2	0
+c1ccccc1CNC(c2cccc(c2)-c3ccc(cc3)C=C4SC(=O)NC4=O)=O	14
+c1cc(ccc1C=CC(=O)OC)-c2cc(ccc2)N(C(NCCCCCCC)=O)CC	530
+c1cc(ccc1-c2cc(ccc2C)C(=O)NC3CC3)-c4oc(nn4)CN	18
+c1cc(ccc1-c2cc(-c3n(c(C(O)=O)cc3C)C)ccc2OC)S(=O)(=O)N	1
+c1cc(ccc1-c2c(ccc(CO)c2)OC)OC	41
+c1cc(ccc1-c2cc(on2)-c3nn(nn3)CC(O)=O)Oc4c(ccc(F)c4)Br	3
+c1cc(ccc1O)-c2noc(C(=O)OCC)c2	5
+c1cc(ccc1N)-c2[nH]c3c(c2)c(N4CCCc5c4cccc5)ncn3	0
+c1cc(ccc1Cl)NC2c3c(ccc(-c4ccc(cc4)C(=O)OCC)c3)N(C(C)=O)C(C)C2	250
+c1cc(ccc1N)-c2cc3c(ncnc3N4CCc5ccccc45)[nH]2	0
+c1cc(ccc1-c2cc3c(cc(OCCOCCOCCF)cc3)cc2)N	0
+c1cc(ccc1-c2cc(c(cc2)-c3ccc(s3)CCC)F)CC	10852
+c1cc(ccc1O)-c2sc(cc2)CCCCC	5
+c1cc(ccc1C(CC(=O)O)(C)O)-c2ccc(F)cc2F	3
+c1c(F)cc2c(c3ccc(F)cc3[nH]2)c1	1223
+c1cc(ccc1-c2cc(c(cc2)OC)C(C)=O)C#N	155
+c12c3c(cc(OC)cc3)[nH]c1cc(OC)cc2	1223
+c1cc(ccc1Cl)-c2cc(B(OC)O)c(Br)cc2	493
+c1ccccc1Cc2c(-c3ccc(cc3)-c4ccc(cc4)CO)c5c(cccc5)o2	41
+c1cc(ccc1-c2ccc(cc2)-n3c(c(C)nn3)NC(OC(C)C)=O)C4(CC4)C(O)=O	4
+c1cc(ccc1-c2ccc(cc2)-n3cccn3)Br	901
+c1cc(ccc1N2CCC3CNCC23)-c4ccc(cc4)C#N	62
+c1cc(ccc1OCCCC(=O)O)-c2ccc(cc2)C#N	3
+c1cc(ccc1F)OC(C(OCC)=O)Cc2ccc(cc2)OCCON=C(c3ccc(cc3)-c4ccc(cc4)F)C	262
+c1cc(ccc1C2(CC2)C(O)=O)-c3ccc(cc3)-c4c(n(nc4)C)NC(CC(C)c5ccccc5)=O	4
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(O)=O)-c4onc(C)c4Nc5nc(-c6ccccc6C)ccc5	3
+c1cc(ccc1C=Cc2nc(-c3c(cc(cc3)Cl)Cl)cn2Cc4ccccc4)-c5ccc(cc5)OC	371
+c1cc(ccc1C#N)-c2ccc(cc2)C=COC	1417
+c1cc(ccc1CCN)-c2ccc(cc2)C3CCCC3NS(=O)(=O)C(C)C	51
+c1cc(ccc1N)-c2ccc(cc2)CCCCCCCC	0
+c1cc(ccc1-c2ccc(cc2)Cl)C(O)C	74
+c1cc(ccc1NC(c2c(c3c(cccc3OC)o2)C)=O)-c4ccc(cc4)S(=O)(=O)NC(C(C)C)C(=O)OC	768
+c1cc(ccc1C=O)C=CC(Nc2ccc(cc2)-c3ccc(cc3)Cl)=O	1054
+O=C(O)C(C(=O)O)CC(=O)c1ccc(cc1)-c2ccc(cc2)NC(CCCC)=O	3
+c1cc(ccc1C(O)=O)-c2ccc(cc2)OCCCCl	1
+C(O)C(CO)Cc1ccc(cc1)-c2ccc(cc2)OCc3ccccc3	5077
+O=S(=O)(C)C(C(=O)NO)(CCc1ccc(cc1)-c2ccc(cc2)[N+](=O)[O-])C	792
+c1cc(ccc1O)-c2ccc(cc2C)C#N	5
+c1cc(ccc1C=CCO)C#Cc2ncc(cc2)-c3ccc(cc3)Cl	129
+CC(C)C(C(=O)OC)N1C(=O)c2c(C1)ccc(-c3ccc(cc3)N)c2	0
+c1cc(ccc1-c2cc3C(=O)N(Cc3cc2)C(C(C)C)C(O)=O)NC(c4c(F)ccc(c4F)C)=O	4
+c1cc(ccc1-c2cc3c(cc2)n(c(-c4ccccc4)c3CCCCC)C)O	5
+c1cc(ccc1CC2SC(NC2=O)=O)-c3cc(ccc3)C(=O)NCCCCCCCC	534
+c1cc(ccc1-c2cccc(C)c2)C(O)=O	6
+c1cc(ccc1-c2cccc(C)c2)C(N3Cc4cccn4Cc5ccccc35)=O	610
+c1cc(ccc1-c2cccc(OCC)c2)C3N(c4c(cccc4)F)N=C(C(O)=O)C3	4
+c1cccc2c3c(cccc3)n(c12)-c4ccc(cc4)-c5cc(Oc6cc(Oc7ccccc7)ccc6)ccc5	304
+c1cc(ccc1-c2cccc3c2sc(c3)C(=O)O)N4CCOCC4	1
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+c1ccccc1OC(C(=O)OCC)Cc2ccc(cc2)OCCNC(=O)c3ccc(cc3)-c4ccccc4	14
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(NC(=O)CCC(=O)O)nc5c4cc(CC)s5)=O	4
+c1cc(ccc1-c2ccccc2)C(=O)N3CCN(CC3)c4nc(nc5c4cc(CC)s5)N	10853
+c1cc(ccc1)COc2ccc(Br)cc2C(NC(C(O)=O)Cc3ccc(cc3)-c4ccccc4)=O	4
+c1cc(ccc1-c2ccccc2)COCc3ccc(nc3)NC(=O)CCC(O)=O	4
+c1cc(ccc1-c2ccccc2)Cn3cc4C(N(C)C(Nc4n3)=O)=O	10854
+c1cc(ccc1NCc2cc(C(=O)OC)oc2C)-c3ccccc3	10855
+c1cc(ccc1NC(=O)c2cc(CCCC)n(Cc3ccc(cc3)-c4ccccc4-c5[nH]nnn5)n2)Cl	187
+c1cc(ccc1-c2ccccc2C3CCCNC3)Cn4c(ccc4)CC	1446
+c1cc(ccc1C(=O)C)N2C(CC)=NC(CCC)=C(Cc3ccc(cc3)-c4ccccc4C#N)C2=O	1778
+c1cc(ccc1C(=O)N2C(C(O)=O)CC(=NOC)C2)-c3ccccc3C	4
+Cc1ccccc1-c2ccc(O)c(c2)CC=C	423
+c1cc(ccc1-c2ccccc2CN3CCN(CC3)c4ccc(cc4)C(O)=O)Cl	6
+c1cc(ccc1-c2ccccc2S(C)=O)CC(O)(C)c3nc(c[nH]3)CC(C)(C)CC	5050
+c1c2c(nc(-c3cc4c(c5c([nH]4)cccc5)cc3)o2)ccc1	1223
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+c1cc(ccc1C2CNCCC2)-c3oc4c(C(N)=O)cccc4n3	1446
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+c1cc(ccc1C(C)(C)C(=O)O)-c2ccco2	4
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+c1cc(ccc1-c2c(scc2)CO)Cl	1364
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+O=S(=O)(c1ccc(cc1)-c2cn(c3c2c(ncc3)O)C(CC)COC)N	104
+c1cc(ccc1C)-c2cn(CC)c3cccc(N)c23	0
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+c1cc(ccc1-c2cn3c4c(sc3n2)cc(cc4)OCCN5CCOCC5)N	0
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+C1CC(CCN1)c2ccc(cc2)-c3cnn(c3)C	191
+c1cc(ccc1-c2csc(N3C(OCC3COC)=O)n2)Br	21
+c1cc(ccc1-c2nc(N3C(CO)COC3=O)sc2)Br	88
+c1cc(ccc1-c2csc(n2)N)CCN	524
+c1cc(ccc1)-c2csc3c2ccc(c3)OC	5014
+c1cc(ccc1-c2n(c3c(c2C#N)ccc(c3)OCCn4cncc4)CC)NC(=O)C5CC5	871
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+c1cc(ccc1-c2n(nc(C#N)c2C)-c3ccc(Cl)cc3Cl)Cl	331
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)-c3nnnn3C	90
+c1cc(ccc1-c2c3CCCCCc3nc4ccnn24)O	16
+c1cc(ccc1C#N)-c2n3c(nc2)cnc(-c4ccc(cc4)C(OCC)=O)c3	356
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+c1cc(ccc1-c2nc(co2)C(O)=O)NC(=O)c3[nH]c(c(CC)n3)Cl	1
+c1cc(ccc1-c2nc(C)ns2)N	0
+c1cc(ccc1-c2c3n(ccnc3N)c(n2)C4CCCN4)C(=O)Nc5sc6CCCCc6n5	62
+C1CC1c2nnc3C(c4nc(-c5ccc(cc5)C(=O)O)c6c(nccn46)NCc7c(OC)cc(cc7)OC)CCCn23	1
+CC(C)N1C(C=CC(=C1)c2ncc(nc2-c3ccc(cc3)OC)N)=O	4343
+c1cc(ccc1-c2c3c(nc(n2)N)-c4c(cccc4O)C3=O)F	5
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+c1cc(ccc1-c2nc(O)c(cn2)O)F	3167
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+c1cc(ccc1S(=O)(=O)Cc2c(C)oc(-c3ccc(cc3)C(OC)=O)n2)C	10858
+c1cc(ccc1NC(=O)Oc2ccccc2)-c3nc4CN(C)Cc4c(N5CCOCC5C)n3	90
+c1cc(ccc1Cl)-c2occ(n2)CSc3c(c(-c4ccc(cc4)OCC5OC(C)(C)OC5)c(C#N)c(n3)N)C#N	5078
+c1cc(ccc1-c2c(C#N)c(nc(OCC)c2C#N)SCc3coc(-c4ccc(cc4)Cl)n3)OCCO	5078
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+c1cc(ccc1)CNc2nc(c(c(-c3ccc(cc3)C)n2)C(C(=O)OC)CCC)C	96
+c1cc(ccc1-c2nc(on2)-c3ccc(cc3)O)Oc4ccncc4	16
+c1cc(ccc1-c2csc(N(C)C)n2)N	0
+c1cc(ccc1-c2nc(sc2)Nc3cc(ccc3)OC)C4CCC(CC4)CC(O)=O	3
+c1cc(ccc1-c2nc3c(CCCN3CCCCCCC(O)=O)nc2-c4ccc(cc4)C)C	3
+c1cc(ccc1O)-c2oc3cc(C4=NNC(=O)CC4CC)ccc3n2	16
+c1cc(ccc1-c2[nH]c3c(cccc3)n2)C(O)=O	1
+c1ccccc1-c2nc3c(cccc3)c(c2)Cl	1191
+C1CCCCC1C(C(=O)O)n2c(nc3ccccc23)-c4ccc(cc4)Cl	3
+c1cc(ccc1C)-c2nc3CCCNc3nc2-c4ccc(cc4)C	5079
+c1cc(ccc1C(C)=O)-c2nc3ccc(cn3c2)I	155
+c1cc(ccc1F)-c2cn3c(CCCC3)n2	3035
+c1cc(ccc1NC(=O)C)-c2nc3c(c(N4CC5CCC(C4)O5)n2)cn[nH]3	1002
+c1cc(ccc1-c2nc3ccc(cn3c2C(=O)NC)-c4cccc(c4)C(=O)NC(C)(C)c5ccccc5)F	14
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+c1cc(ccc1-c2nc3n(ncc3)c(NCc4c(cc(cc4)Cl)Cl)c2)C(O)=O	1
+c1cc(ccc1-c2nc(c(cn2)OC)O)F	104
+c1cc(ccc1F)-c2ccc(CN)cn2	3143
+c1cc(ccc1-c2c(cccn2)CC)C(OC)=O	1661
+c1cc(ccc1-c2ncccc2C=C)C(OC)=O	5080
+n1cccnc1CN2CC(C2)n3c(-c4ccnc(n4)N)c(nc3)-c5ccc(cc5)F	566
+c1cc(ccc1-c2nn(CC)cc2-c3c4cc[nH]c4ncc3)N	0
+c1cc(ccc1-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)C(=O)O	1
+c1cnccc1-c2c(nn3CCCNc23)-c4ccc(cc4)F	10859
+c1cc(ccc1F)-c2c(C(O)c3nc(C(=O)OC)ccc3)c4ccc(cn4n2)OC	10860
+c1cc(ccc1CC(Nc2ccc(cc2)-c3ccc4n(nc(n4)N)n3)=O)F	33
+c1cc(ccc1-c2nnc(-c3c(N)cccc3)o2)C(=O)O	6
+c1cc(ccc1CO)-c2nnc(s2)-c3ccc(cc3)N4CCC(CC4)(CCCC)OC	98
+c1cc(ccc1C2=Nn3c(C(N2)=O)c(C)nc3C)[N+](=O)[O-]	10861
+c1cc(ccc1-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C)C(O)=O	1
+c1cc(ccc1-c2nnc(O)cc2)CCO	59
+c1cc(ccc1-c2nnc(Cc3cc4sc(cc4cc3)C(=O)Nc5ccccc5N)o2)OC	2810
+c1cc(ccc1-c2nnc(o2)Cc3cc4c(cc(s4)C(O)=O)cc3)OC	6
+c1cc(ccc1-c2nnn(C)c2COc3nnc(cc3)C(O)=O)F	6
+c1cc(ccc1-c2c(n(C)nn2)C(O)=O)C3CCC(CC3)CC(=O)OCC	426
+c1cc(ccc1F)-c2cc(on2)C(=O)C	3153
+n1cccnc1N2C(NC(C(Nc3ccc(cc3)-c4noc(C)n4)c5cc(c(cc5)OCC)OC)=N2)=O	10862
+c1cc(ccc1CN(C2C(NCCCC2)=O)S(=O)(=O)c3ccc(cc3)Cl)-c4nc(CO)on4	59
+c1cc(ccc1-c2c(C#N)c(sn2)NC(=O)Oc3ccccc3)[N+](=O)[O-]	10863
+C1CN(CCN1CC(c2ccc(cc2)OC)=O)c3nc(-c4ccc(cc4)Cl)ns3	676
+c1cc(ccc1N)-c2c(c(NC(NCCCN3CCCC3)=O)sn2)C(=O)N	0
+c1cc(ccc1-c2nnc(-c3c(N)cccc3)o2)C(OCC)=O	0
+c1cc(ccc1OCCc2cc3C(=O)N(C)c4cccnc4N(c3nc2)CC)-c5oc(c(C(=O)O)c5)C	6
+c1cc(ccc1N)-c2cc(C(OCC)=O)c(o2)C	0
+c1cc(ccc1-c2oc(nc2)-c3cccc(-c4oc(nn4)Cc5ccc(cc5)C(O)=O)c3)OC	1
+c1cc(ccc1-c2nnc(o2)Nc3cc(ccc3)Cl)Oc4nc(N)nc(c4)N	185
+c1cc(ccc1-c2oc3c(C(=O)N)cc(cc3c2)F)CNC4CC4	10864
+c1cc(ccc1-c2c(C(O)=O)c3c(o2)nc(Cl)c(c3)Br)F	1
+c1cc(ccc1CNC)-c2oc3c(cc(F)cc3C(=O)OC)c2	2217
+c1cc(ccc1-c2oc3c(cc(F)cc3C(=O)OC)c2)CNC4CC4	10865
+c1cc(ccc1-c2oc3c(cc(c(N(c4ccc(N)c(c4)Cl)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	0
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+c1cc(ccc1-c2oc3c(cc(c(N(c4cc(CC(O)=O)c(cc4)[N+]([O-])=O)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	4
+c1cc(ccc1-c2oc3c(cc(c(c3)N(c4cc(c(N)cc4)CC(=O)OC)S(=O)(=O)C)C5CC5)c2C(NC)=O)F	0
+c1cc(ccc1-c2oc3c(cc(c(N(S(=O)(=O)C)c4cc(c(cc4)N)CCO)c3)C5CC5)c2C(NC)=O)F	95
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+c1cc(ccc1-c2oc3c(cc(c(c3)N(c4cc(CC(=O)OC)c([N+](=O)[O-])cc4)S(=O)(=O)C)C5CC5)c2C(NC)=O)F	1540
+c1cc(ccc1-c2c(c3cc(O)c(cc3o2)CC(=O)OC)C(=O)NC)F	1206
+c1cc(ccc1-c2oc3ccc(O)cc3n2)C#N	818
+c1cc(ccc1-c2ocnc2)N	0
+c1cc(ccc1F)-c2cc(C(O)=O)no2	6
+c1cc(ccc1-c2sc(cc2)-c3ccc(O)cc3F)C(O)=O	5
+C1CC1(c2ccc(cc2)-c3ccc(cc3)-c4sc(Cl)cc4NC(=O)OC(C)c5c(cc(cc5)F)F)C(O)=O	3
+C1CC1(c2ccc(cc2)-c3ccc(cc3)-c4sc(F)cc4NC(OC(c5ccccc5C)C)=O)C(O)=O	3
+c1cc(ccc1-c2sc(cn2)C(Nc3nccc(n3)N4C(C(C)N)COC4=O)C)Cl	18
+c1cc(ccc1-c2sc(nc2-c3ccc(cc3)CCCN)NC(=O)C)S(=O)(=O)C	45
+c1cc(ccc1-c2c(-c3ccc(cc3)C=O)nc(s2)NC(=O)C)S(=O)(=O)C	39
+c1cc(ccc1-c2sc(nc2-c3ccc(cc3)CO)NC(=O)C)S(=O)(=O)C	59
+c1cc(ccc1-n2c(-c3ccc(cc3)C)cc(C4(CCC(CC4)=O)O)n2)Cl	97
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+c1cc(ccc1-n2c(NC3=NCCN3)cc(C)n2)F	10867
+c1cc(ccc1-n2ncc(c2C)C(=O)NC(CCC)c3cc(cnc3)Br)Cl	4314
+c1cc(ccc1F)-n2c(-c3cn(cn3)-c4ccc(C(OC)=O)cn4)c(nn2)C	3033
+c1cc(ccc1Cl)-n2c(C(CO)C3CCCCC3)c4CCCc4n2	44
+CC(C)Cc1n(nc(c1)C=O)-c2ccc(cc2)F	1406
+c1cc(ccc1C(=O)OCC)-n2c(cc(C=C)c2)C#N	5080
+c1cc(ccc1-n2c(cc(n2)CC)CC)O	5
+c1cc(ccc1-n2c(-c3ccc(cc3)Cl)cc(CCC(=O)C)n2)OC	86
+c1cc(ccc1Cl)-n2c(C)cc3c(c(OC)cc4ncnc2c34)OC	10868
+c1cc(ccc1-n2nccc2C(C(CC)CC)NS(=O)(=O)c3ccc(Cl)s3)O	5
+c1cc(ccc1-n2nccc2NC(=O)CSc3nnnn3-c4c(C)ccc(C)c4)OC	142
+c1cc(ccc1-n2cncc2C=O)C#N	614
+c1cc(ccc1-n2c(COCc3ccc(cc3)Cl)nc(-c4c(noc4C)-c5ccccc5)c2)[N+]([O-])=O	2130
+c1cc(ccc1O)-n2c(nc3cnccc23)-c4nonc4N	5
+c1cc(ccc1-n2c(ncc2C(C)(C)c3cc(Cl)c(cc3)Cl)CO)F	10869
+c1cc(ccc1CCN)-n2c3c(c(C)cc(C)n3)nc2CC	18
+c1cc(ccc1CCO)-n2c3c(c(C)cc(C)n3)nc2CC	10870
+c1cc(ccc1-n2ccc3ccccc23)OCc4ccc(cc4)C#N	22
+c1cc(ccc1C(=O)C(=O)O)-n2c3c(nc2)cccn3	2249
+c1cc(ccc1-n2c3c(nc2)c(ccc3)N)C#N	13
+c1cc(ccc1O)-n2c(cc3ccccc23)CCOC	16
+c1cc(ccc1C)-n2cc(cn2)N	209
+c1cc(ccc1-n2cc(nc2)CNC(c3sc(cc3)Cl)=O)N4C=CC=C(O)C4=O	2285
+c1ccccc1-c2cn(-c3ccc(cc3)CCNC(Oc4ccccc4)=O)c(CC)n2	101
+c1cc(ccc1-n2nc(C(=O)O)cc2)F	6
+c1cc(ccc1-n2c3c(cc2)cccc3)O	5
+c1cc(ccc1-n2cccn2)Cc3c(OC(F)F)nc4c(ccc(c4c3C)OCC(O)=O)Cl	4
+c1cc(ccc1-n2cc(nc2)C(O)=O)S(=O)(=O)C	1
+c1cc(ccc1-n2cnc(CN)c2)N3C=CC=CC3=O	18
+c1cc(ccc1-n2ccnc2)NCC3CN(c4ccc(c(Cl)c4)Cl)CCN3CC	15
+c1ccccc1CNC(=O)c2c(C(C)C)c(C=O)n(-c3ccc(cc3)F)n2	81
+c1cc(ccc1-n2c3nc(C)cc(C(O)=O)c3c(n2)C)OC	6
+c1cc(ccc1F)-n2nc(c(OCC)c2)C(=O)O	6
+c1cc(ccc1-n2c(NC3=NCCN3C(C)=O)cc(C)n2)F	10871
+c1cc(ccc1N)-n2c(CN(C)C)c3c(N(C(=O)N(c4cccc(c4F)OC)C3=O)Cc5c(F)cccc5F)n2	0
+c1cc(ccc1-n2cc(cn2)C(O)=O)Oc3c(Cl)ccc(c3)F	6
+c1cc(ccc1)C(C(C)N)Oc2ccc3c(cnn3-c4ccc(cc4)C(OC)=O)c2	669
+c1cc(ccc1Br)-n2c(c(C)nn2)C(O)=O	1
+c1cc(ccc1-n2nnc(C(=O)NC3CC3)c2CCCN)C(=O)NCC	45
+c1cc(ccc1-c2c3n(ccc(n3)NCCOC)nc2)-c4[nH]nnn4	2673
+n1cccnc1-c2ccc(cc2)C#CCO	2294
+c1cc(ccc1N2C=CC3=C(C(c4ccc(cc4)Cl)=NCc5onc(C)c35)C2=O)C#N	10872
+c1cc(ccc1-c2ccc(cc2)C3C(C3)CCO)C#N	11
+c1cc(ccc1-c2ccc(cc2)C#N)N3C4C(CN(C)C4)CC3	11
+c1cc(ccc1-c2n3c(cnc(c3)Br)nc2)C#N	4772
+c1cc(ccc1-c2c3CCCC(N)c3cnc2)C#N	89
+c1cc(ccc1-c2nc3n(cc(COc4ccc(cc4)C(CC(=O)OCC)C#CC)cc3)n2)C(C)C	4983
+c1cc(ccc1C(C)C)-c2ccncc2	835
+c1cc(ccc1C(OC)=O)-c2ccc(nc2)C#N	89
+c1cc(ccc1OC)-c2ccc(c(F)c2)-c3ccc(cc3)CCC	11
+C1CCCC1(C(=O)O)c2ccc(cc2)-c3ccc(cc3)CCN4C(CCC4)C	667
+c1cc(ccc1CO)-c2ccc(C=O)nc2	89
+c1cc(ccc1CO)-c2nccnc2	696
+c1cc(ccc1C(=O)Nc2ccc(F)c(-c3ccc(cc3)Cl)c2)Oc4c(cc5c(OCCC5C(OCC)=O)c4)Cl	11
+c1cc(ccc1Cc2c(-c3ccc(cc3)Cl)sc4c2C(N(C(=O)N4C)CCC(=O)OC)=O)Cl	10873
+c1cc(ccc1Cl)-c2cc(c3nccn3c2)C	89
+c1cc(ccc1-c2cncc3c2cc(C(=O)O)cc3)Cl	89
+c1cc(ccc1NC(C(c2ccc(cc2)F)C)=O)B(O)O	33
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(c(-c5ccccn5)n4)-c6cc(ncc6)-c7ccc(cc7)N	119
+c1cc(ccc1N(C)C)-c2c(nc(nc2)NCc3ccncc3)NC4CCN(CC4)Cc5ccccc5	537
+c1cc(ccc1N(C)C)-c2ccnc(Cl)n2	198
+c1cc(ccc1-c2cc3c(OC(CC34C(N(C)C(N)=N4)=O)c5ccccc5)cc2)OCc6ccccc6	11
+c1cc(ccc1-c2cnc(nc2)C3=CCOCC3)S(=O)(=O)Nc4c(F)cc(c(F)c4)C(OC)=O	537
+n1cc(cnc1COC)-c2ccc(cc2)S(=O)(=O)Nc3c(F)cc(c(F)c3)C(OC)=O	537
+OB(O)c1ccc(cc1)-c2c3ccccc3c4c(c2)cccc4	579
+c1cc(ccc1Br)-c2c(n(C)nn2)C(O)=O	6
+c1cc(ccc1-c2c(C(O)=O)c(no2)C)Br	1
+c1cc(ccc1-c2nc(-c3cc(c(cc3)F)F)oc2C4C(CCCC4)C(O)=O)Br	4
+c1cc(ccc1Br)-c2onc(C)c2CCO	44
+c1ccccc1COC(c2c(-c3ccc(cc3)Br)nnn2C)=O	470
+c1cc(ccc1-c2nn3c(Cc4c5c(cccc5)[nH]c4)nnc3nc2)Br	10874
+c1cc(ccc1-c2nc(C)c(C)n2CC3CN(C(C4CC4)=O)CC3)-c5ccc(cc5)F	11
+c1cc(ccc1OCCc2c(C)oc(n2)-c3ccc(cc3)Br)OC(C)(C)C(OCC)=O	267
+c1cc(ccc1Br)-c2nc(c(C)o2)CCOCc3ccccc3	149
+c1cc(ccc1-c2nc(oc2C3C(CCCC3)C(O)=O)-c4cccc(c4)Cl)Br	4
+c1cc(ccc1Br)-c2nc(c(o2)C)CCO	21
+c1cc(ccc1Br)-c2c(c(C)no2)CC(OCc3ccccc3)=O	283
+c1cc(ccc1-c2ccc(s2)C(=O)CCc3c(c(c(O)cc3)Cl)Cl)Br	2301
+c1cc(ccc1-n2c(c(cc2Cl)N)C(OCC)=O)Br	10875
+c1cc(ccc1-n2c(cc3c2c(O)c(C#N)c(n3)O)Cl)Br	10876
+c1cc(ccc1F)-c2ccc(cc2)Br	134
+n1cc(cnc1N)-c2ccc(cc2)Br	537
+c1cc(ccc1Br)-c2ccccn2	119
+C1CN2CCC1C(C2)C(C#Cc3ccc(cc3)C(OC)=O)(c4ccccc4)O	197
+c1cc(ccc1C(CO)C)Br	44
+c1cc(ccc1Br)C(CO)CO	5077
+c1cc(ccc1Br)-c2c(C3C(C(=O)OC)CCCC3)oc(n2)-c4cc(c(cc4)F)F	5081
+c1cc(ccc1Br)C(C)CCO	21
+CC(C)C(CCNC(c1ccc(cc1)Br)C)=O	97
+c1cc(ccc1Sc2c([N+](=O)[O-])cc(cc2)OC(C)c3ccc(cc3)Br)O	825
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br	15
+C(C)C(CC)(c1ccc(cc1)Br)c2cc(c(O)cc2)C	1848
+c1ccccc1COC(NC2CCC(N3CCCC(C(NCC(c4ccc(cc4)Br)=O)=O)N3C2=O)=O)=O	612
+c1cc(ccc1Br)C2(COC2)COCc3ccccc3	10877
+c1cc(ccc1C)S(=O)(=O)OCC(COC(=O)C)c2ccc(cc2)Br	36
+c1cc(ccc1Br)-c2nc(oc2C3C(C(=O)OC)CCCC3)-c4cccc(c4)Cl	5081
+c1cc(ccc1C(c2ccc(cc2)Cl)CC(OCC)=O)Br	10878
+c1cc(ccc1Br)C2(CCCC2)CO	237
+c1cc(ccc1)CN2CCC(=CC2)c3ccc(cc3)Br	252
+c1cc(ccc1Br)C2CCN(CC2C)C(OC)=O	564
+c1cc(ccc1C2C(C=C)C2)Br	4278
+c1cc(ccc1C2C(C2)CC=3N(CC)C(=O)NN=3)Br	2082
+c1cc(ccc1Br)C2CC2C=O	24
+c1cc(ccc1C2C(C2)N)Br	157
+c1cc(ccc1Br)C2CC(CC2)(N)C(O)=O	10879
+c1cc(ccc1Br)C2C(CNCC2)C	1574
+c1cc(ccc1S(=O)(=O)N(C)c2cccc(OC)c2)-c3ccc(cc3)C=O	2256
+c1cc(ccc1Nc2ncc3c(ccc(c3)-c4ccncc4)n2)C=O	490
+c1cc(ccc1Br)CN(n2cnnc2)c3ccc(cc3)[N+]([O-])=O	10880
+c1cc(ccc1Br)Cn2ccnc2	371
+c1cc(ccc1CC(CO)C)Br	21
+c1cc(ccc1Br)CC(C(O)=O)C	3
+c1cc(ccc1Br)CCCO	21
+c1cc(ccc1CCc2ccccc2CO)Br	217
+c1cc(ccc1CCc2c(cccc2)CCN)Br	51
+c1cc(ccc1Br)CN(n2cnnc2)c3ccc(cc3)N	0
+c1cc(ccn1)-c2ccc(cc2)CN3C(C(OC)=CC=C3)=O	498
+CC(C)CC(C(=O)O)NCc1ccc(cc1)Br	4
+c1cc(ccc1Br)COCC(C)CO	95
+c1cc(ccc1C2CCC(c3ccc(cc3)[N+]([O-])=O)N2c4ccc(cc4)Br)[N+]([O-])=O	10881
+c1cc(ccc1Br)N2C(=O)NN=C2CC3CN(CC3)C(=O)C4CC4	2585
+c1cc(ccc1Br)NC(c2cc(N)c(NCCN(C)C)cc2)=O	0
+c1ccccc1-c2[nH]c3ccc(Br)cc3c2CCCCC	1150
+c1cc(ccc1C(Oc2ccc(cc2)Br)CCCCCC)C(=O)OC	20
+c1cc(ccc1Cc2cc(ccc2O)Br)F	4669
+c1cc(ccc1C=2S(=O)c3cc(ccc3C=2Oc4ccc(cc4)Br)OC)OC	10882
+c1cc(ccc1Br)OCc2cnc(OC)cc2	20
+c1cc(ccc1Br)OC(C)CN	15
+c1c(cc(CC(=C)C)c(c1)O)Br	1625
+c1cc(ccc1Br)OCc2csc3c(cnc(N)c23)C(NCCCOCC(CO)O)=O	265
+c1cc(ccc1Br)Oc2c(cc(c(C)c2)N)C	0
+c1cc(ccc1-c2cc3OCOc3cc2-c4ccc(cc4)F)S(=O)(=O)N	11
+c1cc(ccc1Nc2nn(-c3ccccc3)cc2C(N)=O)S(=O)(=O)N4CCOCC4	781
+c1cc(ccc1-c2ccc(cc2)C)S(=O)(=O)Nc3cc(no3)C	11
+c1cc(ccc1S(=O)(=O)n2c(CO)cc3ccccc23)Br	194
+c1cnccc1-n2c(ccn2)-c3ccc(cc3)C#Cc4ccc5c(n4)cccc5	10883
+c1cc(ccc1C(C)C(=O)NCC)C#Cc2cnc(nc2)Cl	10884
+c1cc(ccc1C#Cc2nc(ncc2)Cl)F	838
+c1cc(ccc1C#Cc2ccc(cc2)OC)C(C(NCC)=O)C	129
+c1cc(ccn1)C#Cc2ccc(cc2)OC	4809
+c1cc(ccc1C#Cc2ccc(cc2)OCCCCCC)OCCCCCC	129
+c1cc(ccc1Cl)-c2cnc(C#Cc3ccc(cc3)OCCO)cn2	5031
+c1cc(ccc1C#C)CCCCC	2110
+CC1(C)CCC(C)(C)c2ccc(cc12)CC#Cc3ccc(cc3)C(=O)O	10885
+c1cc(ccc1CCCCCCCOC)C2CCC(C2)(N)C(=O)OC	213
+C1CCCCCN1CCCOc2ccc(cc2)CCCCO	213
+c1cc(ccc1CCCO)C(OC)=O	213
+c1cc(ccc1C#CCOS(=O)(=O)c2ccc(cc2)C)Cl	2390
+c1cc(ccc1C#Cc2cc(F)ccc2)C(=O)O	6
+c1cc(ccc1C(=O)O)C#Cc2cc(c3OC(C)(C)CC(C)(C)c3c2)C4CC4	6
+c1cc(ccc1C#Cc2cc(CO)c3c(c2)C(C)(C)CC(C)(C)O3)CC(=O)OC	41
+c1cc(ccc1C#Cc2ccc(cc2)CN3CCOCCC3)C(N(C)C(C)(C(=O)NO)C(NC)=O)=O	792
+c1cc(ccc1CCCC)C#Cc2ccc(cc2)C(=O)O	1
+c1cc(ccc1C#Cc2ccc(cc2)CN3CCOCCC3)C(=O)O	6
+c1cc(ccc1C#N)-c2ncc(N)nc2-c3ccc(cc3)C	696
+c1cc(ccc1-c2ccc3C4C(N(c5ccccn5)N=C4CCc3c2)=O)C#N	2472
+c1cc(ccc1CC=O)-c2ccc(cc2)C#N	1292
+c1cc(ccc1C#N)-c2cnc3cnc(-c4ccc(cc4)C(=O)O)cn23	6
+c1cc(ccc1-n2c(cnc2)CO)C#N	874
+c1cc(ccc1C#N)-n2nc(c(CO)c2C)C	10886
+c1cc(ccc1C#N)-n2c(C)c(c(n2)C)COc3ccccc3C	20
+c1cc(ccc1C#Cc2cc(F)ccc2)C#N	455
+C1CC(CCC1)Cn2c3c(nc2-c4c(cc(cc4)Cl)CCc5ccc(cc5)C#N)cccc3	1702
+c1cc(ccc1C(NCc2ccc(cc2)N3C(=O)OC(C(O)=O)C3)=O)C#N	93
+c1cc(ccc1C#N)-c2nc(no2)-c3ccc(cc3)-c4ccc(cc4)OCCCC(=O)O	2304
+c1cc(ccc1C#N)-c2nnc(C(Nc3c4c(cccc4)c(C#N)cc3)C(C)O)o2	877
+c1cc(ccc1C2OC2)C#N	3146
+c1cc(ccc1C#N)-c2nc3ccc(cn3c2)I	440
+c1cc(ccc1C(n2cncc2)CCN)C#N	18
+c1cc(ccc1Cc2ccc(cc2)OC)C#N	452
+c1cc(ccc1C#N)C2C(=O)N(c3ncc(C(=O)NCCCn4cccn4)cc3)N=C2	56
+c1cc(ccc1C#N)-c2c(cc(O)nn2)C	10887
+c1cc(ccc1CCC(OCC)=O)C#N	159
+c1cc(ccc1COc2c(c(cnc2C)CNc3ccc(cc3)C#N)CO)C#N	483
+c1cc(ccc1C#N)CN(C2C(NCCCC2)=O)S(=O)(=O)c3ccc(cc3)Cl	3544
+c1cc(ccc1C#N)CCC(C=Cc2c(cccc2)OCCCCCc3ccccc3)CCCCC(OCC)=O	8
+c1cc(ccc1CCC(CCCCC(OCC)=O)C=O)C#N	24
+c1cc(ccc1C)S(=O)(=O)OCCc2ccc(cc2)C#N	36
+c1cc(ccc1OCCc2ccc(cc2)C#N)C=O	262
+c1ccccc1S(=O)(=O)Nc2cc(ccc2)OCCc3ccc(cc3)C#N	69
+c1cc(ccc1C#N)CCOc2cc(N)ccc2	0
+c1cc(ccc1F)S(=O)(=O)NCc2ccc(cc2)C#N	71
+c1cc(ccc1CN)CNC(N2CCN(CC2)C(=O)CNC(=O)OCc3ccccc3)=O	107
+c1cc(ccc1C#N)Cn2c3c(F)cccc3c(C(O)=O)n2	1
+c1cc(ccc1C#N)Cn2nc(N)cc2	161
+c1cc(ccc1Nc2ccc(cc2)C#N)OC	275
+c1cc(ccc1OC)Sc2ccc(cc2)C#N	815
+c1cc(ccc1C#N)-n2nccc2	926
+c1cnccc1Oc2ccc(cc2)C#N	754
+c1cc(ccc1NC(Nc2ccc(cc2)C#N)=S)NNC=O	773
+c1cc(ccc1N(C)C(=O)c2cn3c(cnc3cn2)Br)C#N	10888
+c1cc(ccc1C)S(=O)(=O)OCCCNc2ccc(cc2)C#N	36
+c1ccccc1N(C(C2CCc3c(c4cc(ccc4[nH]3)C#N)C2)=O)C	518
+c1cc(ccc1C#N)Nc2cc(C)nc(C)c2N	13
+c1cc(ccc1C#N)Nc2ncc(C(O)=O)c(NCCC)n2	6
+o1c2c(c3cc(C#N)ccc13)cc(F)c(OC)c2	5082
+c1cc(ccc1OC)CCN(S(=O)(=O)c2ccc(cc2)C#N)CCC(=O)OC	92
+c1cc(ccc1C(=COC(F)F)C(NCCc2cc(OC)c(O)cc2)=O)Cl	16
+C1CCCCC1C(C(=O)O)NC(=O)C(C(NCc2ccccc2)=O)Cc3ccc(cc3)C(=N)N	4
+c1cc(ccc1-c2nc3c([nH]2)cccc3)-c4nc(-c5ccc(cc5)Cl)on4	2185
+c1cc(ccc1S(=O)(=O)ON=C(c2ccc(cc2)F)C#N)C	3643
+c1cc(ccc1CCO)-c2nc(on2)-c3c(CCC)c(on3)-c4ccccc4	10889
+c1cc(ccc1Oc2ncccc2)-c3nc(on3)-c4ccc(cc4)OCc5ccccc5	2304
+c1cc(ccc1C)C(=O)C(Nc2c(cccc2)-c3cc(c(cc3)OC)OC)=O	2678
+C1CC(CCN1C(=O)C)c2oc(-c3ccc(cc3)F)c(n2)CO	10890
+c1cc(ccc1C(=O)C(OCC)=O)Nc2ncccc2N	13
+c1cc(ccc1-n2cncn2)C(C)=O	4998
+c1cc(ccc1C(O)C)Oc2c([N+](=O)[O-])cc(cc2)Cl	74
+c1cc(ccc1Oc2cc(-c3ccc(-c4nccs4)[nH]3)cc(c2)OC(COC)C)C(C)O	74
+c1cc(ccc1[N+](=O)[O-])C=2Oc3c(cc(cc3)Br)C(=O)C=2	3166
+c1cc(ccc1[N+](=O)[O-])C2=CC(c3c(ccc(c3)OC)O2)=O	3166
+c1cc(ccc1C(C=2C(N(c3nnc(cc3)C)C(C=2O)=O)c4ccc(cc4)N5CCN(CC5)CCN(C)C)=O)C(C)C	4716
+c1cc(ccc1O)C(c2ccc(cc2)O)=C(CC)c3ccc(cc3)OCC(OCC)=O	1051
+CC(C)=CCCC=1CCC(CC=1)CCc2ccc(cc2)OC	165
+c1cc(ccc1CCCC(O)=O)CC(NC(=O)C)C	165
+c1cc(ccc1N)C(=O)CCC(O)=O	106
+c1cc(ccc1CCCC(=O)O)SC	165
+c1cc(ccc1C(=O)O)C(CCC)=O	1
+c1cc(ccc1Sc2ccccc2)CCCC	165
+c1cc(ccc1-c2c(CCC(=O)O)c3cc(Cl)ccc3[nH]2)Cl	1150
+c1cc(ccc1O)CCCCCCCCCCCC	165
+c1cc(ccn1)NC(c2ccc(cc2)C(=O)CNC(OCc3ccccc3)=O)=O	50
+c1ccccc1CN2C(=NC3=C(C2=O)CCCN3)C(N(C(=O)c4ccc(cc4)Br)CCN(C)C)CC	115
+c1ccccc1CN2C(=O)C=3CCCC=3N=C2C(N(CCN(C)C)C(=O)c4ccc(cc4)Br)CC	115
+c1cc(ccc1CCl)C(Nc2cc(ccc2C)Nc3nc(-c4cccnc4)ccn3)=O	50
+c1cc(ccc1C2(CCN(C2)Cc3ccccc3)C)NC(c4ccc(cc4)Cl)=O	50
+c1cc(ccc1Cl)C(Nc2ccc(cc2)Cc3c4c(n(c3C)CC(OCC)=O)cccc4)=O	50
+c1cc(ccc1Cl)C(Nc2ccc(cc2)Cn3nc(c4ccccc34)CC(=O)OCC)=O	50
+c1cc(ccc1C(Nc2ccc(cc2)SC)=O)Cl	50
+c1cc(ccc1Cl)C(NCC(c2ccsc2)=O)=O	2895
+c1cc(ccc1C(Nc2ccc(cc2)C3Nc4c(CC3(C)C)cc(C(=O)OC)cc4)=O)F	50
+c1cc(ccc1C(Nc2ccc(cc2)C(OCC)=O)=O)F	50
+c1cc(ccc1Nc2nc(C(N)=O)c(NC(=O)c3ccc(cc3)F)s2)OC	3154
+c1cnccc1Sc2cnc(NC(=O)c3ccc(cc3)F)s2	548
+c12c(CC(C1)NC(=O)c3ccc(cc3)F)cccc2	93
+c1cc(ccc1F)C(NC2CCN(CC2)Cc3ccccc3)=O	93
+c1ccccc1COc2nn3c(CN(C(=O)c4ccc(cc4)F)CC3)c2	115
+c1cc(ccc1C(Nc2cnc(cc2)OCC(OC)=O)=O)F	660
+c1cc(ccc1C(=O)N2c3ccccc3CCc4ccccc4C2)NC(c5c(cccc5)C)=O	448
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3c4c(cccc4)-n5c(ccc5)C3	448
+c1cc(ccc1[N+](=O)[O-])C(=O)Nc2scc(COc3ccc(cc3)CCCCn4ccnn4)n2	548
+c1cccc2-c3ccccc3C(c12)COC(=O)NCCOC(=O)c4ccc(cc4)[N+](=O)[O-]	279
+c1cc(ccc1C(=O)c2ccc(cc2)[N+]([O-])=O)Cl	222
+c1cc(ccc1C#Cc2ccc(cc2)C=O)C(N(C(C)(C(=O)NOC3OCCCC3)C(=O)NC)C)=O	129
+c1cc(ccc1C(N(C)CCC(O)=O)=O)NC(c2oc3c(cc(cc3)OC)c2C)CCCCOC	3
+c1cc(ccc1C(N)=O)-c2ccc(C=O)nc2	89
+c1cc(ccc1CCN)C(=O)N	18
+c1cc(ccc1C(N2CCC(CC2)(c3ccccc3)C(O)=O)=O)-c4nc(C)no4	4
+c1cc(ccc1N)C(=O)N2Cc3n(ccc3)Cc4c2ccs4	0
+c1cc(ccc1C(N2c3c(C(=C)CCC2)cccc3)=O)NC(c4c(C)cccc4)=O	10891
+c1cc(ccc1N)C(N2c3ccccc3Cc4c(cccc4)C2)=O	0
+c1cc(ccc1N)C(N2Cc3ccnn3Cc4ccccc24)=O	0
+c1cc(ccc1C(NC2(CC2)C(NC3c4n(-c5c(cccc5)CC3)ccn4)=O)=O)F	9
+c1cc(ccc1S(=O)(=O)Nc2c(F)cc(cc2F)F)C(=O)NCC(O)C(O)CO	265
+c1cc(ccc1C(=O)NCCO)N	0
+c1cc(ccc1C(=O)NN=C2c3cc(I)ccc3NC2=O)NC(CCCCC)=O	2305
+c1cc(ccc1Cl)C(Nc2c(C(O)=O)nccn2)=O	1
+c1cc(ccc1-c2nc3c(Br)ccc(OC)c3[nH]2)C(C)C	4193
+c1cc(ccc1C(=O)Nc2ccc(C)c(C=O)c2)CN3CCN(CC3)C	39
+c1cc(ccc1C(=O)Nc2cc3c(ncn3C(c4ccccc4)CC(O)=O)cc2)N	3
+c1cc(ccc1-c2nnc(o2)-c3c(noc3C)-c4ccccc4)C(n5ccnc5)=O	4859
+c1cc(ccc1CCCl)CO	611
+c1cc(ccc1CCc2n3c(ccc2)cnc3)CO	49
+c1cc(ccc1CNC(OCc2ccccc2)=O)C(=O)Nc3ccccc3N	67
+c1cc(ccc1-n2cc(nn2)-c3ccc(cc3)NC(=O)c4c(Cl)c(c(C)[nH]4)Cl)C(O)=O	2274
+c1cc(ccc1)Nc2ccc3ccc(NC(c4ccc(cc4)OC)=O)nc3n2	650
+c1cc(ccc1C=CC(OCCCCCCCl)=O)OC(c2ccc(cc2)OCCOC)=O	852
+c1cc(ccc1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl	14
+c1cc(ccc1C(Nc2nnc(Cl)cc2)=O)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl	650
+c1cc(ccc1C(=O)O)-n2c3c(nc2C)cccc3	1
+c1cc(ccc1C(O)=O)-n2c3ccc(C#N)cc3nc2C	1
+c1cc(ccc1C(C)CCO)C(=O)O	1
+c1cc(ccc1C(=O)OC)C(C)CCO	168
+c1cc(ccc1C(C)n2nnc(CC3N(C=CNC3=O)S(=O)(=O)c4ccc(Cl)c(Cl)c4)c2)CO	98
+CC1(C)COC(c2ccc(cc2)C(OC)=O)=N1	10892
+c1cc(ccc1-c2c(O)nccc2)C(OC)=O	4774
+c1cc(ccc1CO)C2N3C(CCC2)CCC(C3=O)=Cc4cc(c(-n5cc(nc5)C)cc4)OC	98
+C1CC1(CCC(CCc2ccc(cc2)C(=O)OC)CO)CC(OCC)=O	21
+c1cc(ccc1C(=O)OC)CCC(CCC2(CC2)CC(OCC)=O)C=Cc3c(O)cccc3	1992
+c1cc(ccc1Cc2ccccc2OCc3ccccc3)C(=O)OC	22
+c1cc(ccc1NC(c2oc3c(cc(cc3)OC)c2C)CCCCOC)C(O)=O	1
+c1cc(ccc1C(=O)OC)-n2c(nc3c2ccc(C#N)c3)C	3981
+c1cc(ccc1Nc2c(cc(C#N)cc2)N)C(=O)OC	0
+c1cc(ccc1Oc2c([N+](=O)[O-])cc(cc2)Cl)C(=O)O	1
+c1cc(ccc1C(=O)OC)Oc2ccc(cc2)CO	41
+c1cc(ccc1C(=O)OCC)-c2cc3c(ncnc3[nH]2)NCc4cnc(cc4)OC	974
+c1cc(ccc1C(O)=O)-c2c(C)ccc(NC(c3cccs3)=O)c2	6
+c1cc(ccc1CO)-c2[nH]c3ncnc(NCc4ccc(nc4)OC)c3c2	217
+c1cc(ccc1-c2ccc3n(c(-c4ccc(cc4)C#N)cn3)c2)C(=O)O	6
+c1cc(ccc1-n2cc(cc2C#N)C=C)CO	217
+c1cc(ccc1C#Cc2cc(F)ccc2)C(OCC)=O	455
+c1cc(ccc1N2CCN(CC2)c3ccc(cc3)OCCCCCCOC)C(OCC)=O	34
+[O-][N+](OCCCCO)=O	2118
+c1cc(ccc1O)C(c2nc3c([nH]2)cccc3)=O	686
+c1cc(ccc1N)C(c2c(C)c(c3ccccn23)OC)=O	0
+c1cc(ccc1CC)Cc2cc(Br)c(OC)cc2Cl	394
+c1cc(ccc1O)C(c2c(oc3ccc(cc23)F)CC)=O	5
+c1cc(ccc1Cc2c(c(Cl)c(OCC(=O)OCC)cc2)Cl)O	394
+c1cc(ccc1C(c2cc(Br)c(OCCBr)cc2)=O)O	5
+c1cc(ccc1C#N)C(c2ccc(cc2)OC)O	488
+c1cc(ccc1C(c2ccc(cc2)Cl)=O)NC(CC(=O)O)=O	3
+c1cc(ccc1C(=O)c2ccc(cc2)Br)O	5
+c1cc(ccc1Cl)C(=O)c2ccc(cc2)N	0
+c1cc(ccc1C(=O)c2n(c(cc2)Cc3cccc(N)c3)C)C	0
+CC1(C)OC(=CC1=O)c2ccc(cc2)C#N	4020
+C1CC2(OCCO2)CCC1(O)C#CC(c3ccc(cc3)C)=O	3145
+c1cc(ccc1S(=O)(=O)OCC(C#N)(c2ccc(cc2)Br)C)C	36
+c1cc(ccc1Cl)C(C#N)(Cn2cncn2)CCCCCCCCCCCN3CC(C)OC(C)C3	10893
+c1cc(ccc1N)C(CC2CCCC2)C(=O)Nc3sccn3	0
+c1(C)cc(cc(C)c1)C=C(C(O)=O)c2ccc(cc2)Oc3ccc(cc3)C=O	46
+c1c2c(ccc1)Sc3c(cccc3)C2CC(=O)c4ccc(cc4)C#N	10894
+c1cc(ccc1OCc2ccccc2)CC(C(OCC)=O)(C)Oc3ccc4c(cccn4)c3	3168
+c1cc(ccc1N)C(C(=O)OCc2ccccc2)C(C)C	0
+c1ccccc1COC(=O)c2ccc(cc2)-c3cc(C)c(c(C)c3)OCCNC(C(O)c4ccc(cc4)O)C	285
+c1ccccc1CC2CCN(CC2)C(C(O)c3ccc(cc3)N)COc4ccccc4	0
+C1CCCC1CC(c2ccc(cc2)C#CCN(C)C)C(=O)O	4
+C1COCCC1S(=O)(=O)c2ccc(cc2)C(C(O)=O)Oc3ccc(cc3F)F	4
+c1cc(ccc1S(=O)(=O)CC(C)=O)C(C(=O)O)CC2CCCC2	3
+c1cc(ccc1C(C)(C)CN)C(Nc2nc3n(cc(Cl)cc3)c2)=O	51
+CC(C)(c1ccc(cc1)Nc2c3cc(Br)ccc3ncc2N)C#N	13
+c1cc(ccc1-c2ccco2)C(C)(C)CO	21
+CC(C)(c1ccc(cc1)F)CCC(=O)OCC	783
+CC(C)(C=C)c1ccc(cc1)-c2ccco2	2142
+CC(C)(CC(OC)=O)c1ccc(cc1)C(Nc2nc3cc(C)nn3c(-c4ccccc4)c2)=O	330
+c1cc(ccc1C(C)=C(CO)C)C(C)(C)CC	2947
+CC(C)(CO)c1ccc(cc1)F	88
+c1cc(ccc1I)C(NOC)C	10895
+c1cc(ccc1C(C)C)C(CBr)=O	380
+c1cc(ccc1C(C)=O)CC(NCC(O)c2ccccc2)C	87
+c1cc(ccc1C(C)=O)CC(C)=O	86
+c1cc(ccc1C(C)=O)CC(O)C	59
+c1cc(ccc1[N+](=O)[O-])C2(C)C(=O)c3c(cc(Cl)cc3NC2=O)Cl	10896
+c1cnccc1-c2ccc(cc2)C(C)C(NCC)=O	2036
+c1cc(ccc1C(C)C(=O)O)I	4
+c1cc(ccc1C(c2cc(ccc2N)OCC#C)=O)C(C)C	0
+CC(C)c1ccc(cc1)Cc2c(cc(cc2C)C)O	452
+c1cc(ccc1C(C)C)C2=NC(=O)N(Cc3cc(N)ccc3)c4ccc(cc24)OCC#C	0
+c1cc(ccc1C(C)C)C2COc3c(c(c(c(C)c23)NCc4ccccc4)C)C	250
+c1cc(ccc1C(C)C)C2c3c(C)c(N)c(c(c3OC2)C)C	1197
+c1cc(ccc1C(C)C)CN(C(=O)CCc2ccc(cc2)OCc3ccccc3C(=O)O)CCCOCC	1
+c1cc(ccc1O)CCC(=O)N(Cc2ccc(cc2)C(C)C)CCCOCC	10
+c1cc(ccc1Nc2ccc(cc2)C(C)C)C(C)C	10897
+c1cc(ccc1NCc2ccc(OC)nc2)C(C)C	3143
+c1cc(ccc1C(C)C)OC(Cc2ccc(cc2)OCCN)(C)C(=O)OCC	18
+c1cc(ccc1OCCO)CC(C)(C(=O)OCC)Oc2ccc(cc2)C(C)C	168
+c1cc(ccc1OC(C(OCC)=O)(C)Cc2ccc(cc2)O)C(C)C	16
+c1cc(ccc1F)Oc2ncc(cc2C(NC(c3ccc(cc3)Br)C)=O)F	56
+c1cc(ccc1C(C)Nc2c(c(c(cc2F)N)Nc3cc(C4CC4)n[nH]3)F)F	0
+c1cc(ccc1C(C)Nc2nc(Cl)cc(Nc3nccnc3)n2)F	4099
+c1cc(ccc1C(=O)O)C(C)OCC	1
+c1cc(ccc1C(C)n2cc(CC3N(C=CNC3=O)S(=O)(=O)c4ccc(Cl)c(Cl)c4)nn2)C=O	39
+C1CC1C(c2ccc(cc2)Cl)=C(C=O)F	4312
+C1CC(CCN1C)C(O)c2ccc(cc2)Cl	74
+c1cc(ccc1-c2cn3cc(ccc3n2)C)Br	440
+c1cc(ccc1C(CBr)O)NC(=O)C	74
+c1cc(ccc1OCCC)C(=O)Cn2cncn2	10898
+c1cc(ccc1C2=C(COC2=O)c3ccc(cc3)S(=O)(=O)C)-c4cscc4	10899
+c1cc(ccc1CCCC)Sc2ccc(cc2)C(O)CC(CO)(CO)NC(C)=O	10900
+c1cc(ccc1C(CC(C)C)C(OCC)=O)O	16
+c1cc(ccc1C(CC)(CC)c2cc(C)c(C=CC(CC)(CC)O)cc2)-c3ccc(CC(O)=O)cn3	3
+c1cc(ccc1C=O)C(=O)CC2CCCC2	494
+C1CCCC1CC(C(=O)O)c2ccc(cc2)-c3ccc4c(c3)cc[nH]4	4
+c1cc(ccc1C(CNC)CC=C)F	15
+c1cc(ccc1OC)C(OC)CC=CC=CC(Nc2ccccc2N)=O	1259
+c1cc(ccc1Oc2cc(c(O)cc2)CC)C(CCC(NCc3cccnc3)=O)=O	5
+c1cc(ccc1C(CCC(O)=O)=O)-c2c(cc(Cl)cc2)F	4
+c1cc(ccc1F)C2CCCCn3c2nc(Nc4ccc(-n5ncnc5C)c(c4)F)n3	3460
+c1cc(ccc1C(CCCCN2CC(C)NCC2)c3cnccc3)F	215
+c1cc(ccc1O)C(=O)CCN2CC3CC(CC3C2)(O)c4ccccc4	1644
+c1cc(ccc1S(=O)(=O)C)C(C(=O)Nc2cnc(COC(=O)C)cn2)Cc3cc(F)ccc3	1018
+c1cc(ccc1Cl)CC(=O)c2ccc(cc2)O	5
+c1cc(ccc1CCCC(=O)OC)C(Cc2ccccc2)N	18
+c1cc(ccc1OCc2nc3cccnc3cc2)C(=O)Cc4ccncc4	20
+c1cc(ccc1-c2cc3cccc(Cl)n3n2)F	3169
+c1cc(ccc1C(Nc2ccc(cc2)Cl)=O)C=O	50
+c1cc(ccc1OCC(OCCCC)=O)C(Nc2c(Sc3ccccc3-c4[nH]nnn4)cccc2)=O	50
+c1cc(ccc1OCCCCCC)C(Nc2c(cccc2)Oc3cccc(OC(c4[nH]nnn4)C)c3)=O	50
+c1cc(ccc1F)C(F)(F)c2nc(O)c3c(n2)ccs3	10901
+C(C)N(CC)C(c1ccc(cc1)C(CCO)c2cccc(OC)c2)=O	21
+c1cc(ccc1C(N(CC)CC)=O)C(CC(=O)O)c2cc(OC)ccc2	3
+c1cc(ccc1C(N(CC)CC)=O)C=O	39
+c1ccccc1C2(c3ccccc3)CCCN(C2=O)Cc4onc(-c5ccc(cc5)O)n4	1289
+c1cc(ccc1CN)-c2ocnc2	162
+c1cc(ccc1F)C(=S)N	581
+c1cc(ccc1OCCN2CCCC2)CN	162
+n1n(C)cc2c1cc(Cl)nc2OC(C3CC(NC3)=O)C	10902
+c1cc(ccc1C(N2CC(C(C)O)CC2=O)C)OC	100
+c1cc(ccc1C(N2C(=O)CC(C2)C(Oc3nc(Br)cc4ncn(C)c34)C)C)OC	10903
+c1cc(ccc1C(N2CCNCC2)c3ccccc3Cl)Cl	215
+c1cc(ccc1C(N2CCOCC2)=O)Nc3nc(N4CCCC(C4)NC(=O)c5ccccc5)ccc3C(=O)N	93
+c1cc(ccc1C(N2c3c(cccc3)-c4c(cnc(C)n4)CC2)=O)N	0
+c1cc(ccc1F)-n2c(-c3ccc(cc3)[N+](=O)[O-])ncn2	10904
+c1cc(ccc1C(NC(=O)C2CCCCN2CCOc3ccc(cc3)F)C)C(=O)OC	2575
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+c1cc(ccc1C)-c2oc(C)c(Cc3cccc(c3)Br)n2	10905
+C1CC(CCN1Cc2ccccc2)(NC(c3ccc(cc3)OCCCN4CCCC4C)=O)COC	21
+c1cc(ccc1C(=O)NC2Cc3cc(ccc3C2)N)F	10906
+c1cc(ccc1C(=O)NC2Cc3c(ccc(C(C)O)c3)C2)F	74
+c1cc(ccc1C(=O)NCCc2n3C(=O)c4[nH]c(Br)nc4N(CCCCC)c3nn2)O	5
+c1cc(ccc1NC(CCc2cc3c(OCO3)cc2)=O)C(NN=C4c5c(ccc(c5)Br)NC4=O)=O	2305
+c1cc(ccc1NC(CCc2ccc(c(c2)O)O)=O)C(NN=C3c4cc(I)ccc4NC3=O)=O	2305
+c1cc(ccc1)COc2cc(Oc3ccc(cc3)-c4oc(C)nn4)cc(c2)C(OC)=O	877
+c1cc(ccc1C(Nc2cn[nH]c2C(O)=O)=O)C	1
+c1cc(ccc1C(Nc2cc(Nc3ccc(Cl)c(-c4c5ccccc5[nH]c4)n3)ccc2)=O)N	741
+c1cc(ccc1C(Nc2ccc(c(c2)N)C)=O)C#N	0
+c1cc(ccc1C(=O)Nc2cc(CO)c(C)cc2)CN3CCN(CC3)C	98
+c1cc(ccc1C(=O)CCC(O)=O)NC(=O)c2ccc(cc2)C	4
+c1cc(ccc1C(=O)Nc2ccc(cc2)C(O)=O)F	6
+CC1(C)C(Nc2ccc(cc2C1)C(=O)O)c3ccc(cc3)NC(c4ccc(cc4)F)=O	1
+c1cc(ccc1CC(NCC(O)COc2ccccc2)CO)NC(=O)c3ccc(cc3)C(NC)=O	25
+c1cc(ccc1C(Nc2ccc(cc2)CNc3c4c(ccc(I)c4)nc(Cl)n3)=O)F	40
+c1cc(ccc1C(Nc2ccc(cc2)SC)=S)Cl	581
+c1cc(ccc1-c2nc3c(cc(SC)cc3)s2)Cl	2179
+c1cc(ccc1C(Nc2ccc3CCCN(c3c2)S(=O)(=O)c4c(OC)ccc(c4)Cl)=O)CC(O)=O	4
+c1cc(ccc1C(Nc2cccc(C(NN=C3c4cc(I)ccc4NC3=O)=O)c2)=O)C#N	2305
+c1cc(ccc1OCCCCCCCCCCCCCC)CNc2ccccc2	162
+c1cc(ccc1N)C(=O)Nc2ccccc2CCC3N(C)CCCC3	0
+c1cc(ccc1-c2c3c(N)nccn3c(C4NCCC4)n2)C(Nc5ccccn5)=O	62
+C1CCC(C1)c2ccc(cc2)C(=CC(=O)OCC)C	10907
+c1cc(ccc1N2CCOCC2)NC(c3ccc(cc3)-c4csc(n4)C(OCC)=O)=O	67
+c1cc(ccc1-c2ccc(cc2)C=Cc3nc(-c4c(Cl)cc(Cl)cc4)cn3CC)C(O)=O	11
+c1cc(ccc1Oc2ccccc2)NC(=O)CN3CCN(CC3)C(c4ccc(cc4)C(OC)=O)=O	30
+c1cc(ccc1C(OC)=O)-c2nnc(-c3c(noc3C)-c4ccccc4)o2	2226
+c1cc(ccc1Nc2nc(-c3cn[nH]c3-c4cc(ccc4)OCc5ccccc5)ccn2)C(O)=O	55
+c1cc(ccc1NC=C2C(Nc3c2ccc(C(=O)c4cccc(c4)NC(c5sccc5)=O)c3)=O)C(=O)O	1300
+c1cc(ccc1C=CC(=O)Oc2ccc(cc2)C(O)=O)OC	5015
+c1cc(ccc1O)-c2oc3c(cccc3)n2	1328
+c1cc(ccc1CO)S(=O)(=O)NC	49
+c1cc(ccc1C(C=CCN2CCC(CC2)(c3ccc(cc3)Cl)O)O)F	2444
+c1cc(ccc1-c2cc(c(OC(C)c3ccc(cc3)F)nc2-c4c(Cl)cc(cc4)Cl)C#N)C	91
+c1cc(ccc1C2CC(CO2)O)Cl	850
+c1cc(ccc1C(=O)CCC)C(OC)=O	155
+c1cc(ccc1C(O)CCC)CO	41
+c1cc(ccc1C)C2c3c(cc(Br)cc3)CN(C2)C	5057
+c1cc(ccc1C(O)CN(C)Cc2sc3C(=O)C(=CN(c3c2)C)C(=O)NCc4ccc(cc4)Cl)NC(=O)C	822
+c1cc(ccc1CC)Cc2ccccc2OC	452
+c1cc(ccc1Cc2cc3c(OCC3)c(Br)c2)F	452
+c1cc(ccc1Br)C(c2c(OC)ccc(c2)Br)=O	335
+c1cc(ccc1C(c2c(nccc2)F)=O)F	814
+c1cc(ccc1CC=O)C(OC(C)C)=O	24
+c1cc(ccc1-c2ccc(cc2C)N3C(CCC3)=O)C(OC)=O	2795
+c1cc(ccc1C(OC)=O)-c2c(nc(cc2)N3CCCC3=O)C	10908
+c1cc(ccc1-c2ccc(cc2C)N3C(=O)NCC3)C(OC)=O	1760
+c1cc(ccc1C(=O)O)-c2cnc(cc2)C#N	1
+c1cc(ccc1CO)-c2ocnc2	98
+c1cc(ccc1C(=O)O)-c2oc(nn2)-c3c(noc3C)-c4ccccc4	1
+c1cc(ccc1C(O)=O)-c2ocnc2C	1
+c1cc(ccc1C(=O)O)C#CBr	1
+c1cc(ccc1C(=O)N2CCN(CC2)c3c(cccn3)NC(C)C)C(=O)O	1
+C1CN(CCN1C(=O)c2ccc(cc2)C(OC)=O)c3c(N)cccn3	13
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(O)=O	1
+c1cc(ccc1CC(CCCCC#N)C=Cc2c(cccc2)O)C(=O)OC	3170
+c1cc(ccc1C(OC)=O)CC(CCC2(CC2)CC(=O)OCC)CO	21
+c1cc(ccc1CC(C=Cc2ccccc2O)CCC3(CC3)CC(OCC)=O)C(=O)OC	3170
+c1cc(ccc1C(OC)=O)CC(CCC2(CC2)CC(=O)OCC)C=O	24
+c1cc(ccc1CC(CCCCC#N)CO)C(OC)=O	21
+c1cc(ccc1OC)Cn2nnc(-c3cc(C(=O)NCc4ccc(cc4)C(OC)=O)ccc3)n2	93
+c1ccccc1S(=O)(=O)NCc2ccc(cc2)C(OC)=O	71
+c1cc(ccc1Cc2ccc(cc2)-c3occn3)OCCN(Cc4ccc(cc4)C(O)=O)CCN5CCOCC5	1
+c1cc(ccc1C(O)=O)CNC(N2C(C)CN(c3ccc(c(Cl)c3)C#N)C(C)C2)=O	1
+c1cc(ccc1C(OC)=O)CNc2nc(nc(Cl)n2)NC3Cc4c(C3)cccc4	387
+c12c(cccc1)CC(C2)Nc3nc(nc(NCc4ccc(cc4)C(O)=O)n3)N	1
+c1cc(ccc1Cc2ccc(cc2)C(=O)O)CN3CCOCC3	1
+c1cc(ccc1C(=O)OC)NC(c2oc3c(cc(cc3)OC)c2C)CCCCOC	5070
+CCC(CC)C(Nc1ccc(cc1)C(=O)O)c2c(c3c(s2)cccc3)C	1
+c1cc(ccc1C(OC)=O)SC(c2ccccc2OC)Cn3ccnc3	10909
+c1cc(ccc1C(=O)O)SC(c2c(cccc2)O)Cn3cncc3	1
+c1cc(ccc1C(OC)=O)SC(c2c(cccc2)O)Cn3cncc3	5
+c1cc(ccc1C(CC=CC=CC(O)=O)OC)OC	108
+CC(C)Oc1c(C#N)cc(cc1)-c2noc(-c3ccc(cc3)C=O)n2	1054
+C1CC1NCCCOc2c(-c3ccc4C(C)(C)CCC(C)(C)c4c3)cc(-c5ccc(cc5)C(O)=O)cc2	6
+CC1(C)CCC(C)(C)c2cc(ccc12)-c3c(OCCCNC)ccc(-c4ccc(cc4)C(O)=O)c3	6
+c1cc(ccc1-c2ccc(cc2)C(O)=O)COC	6
+c1cc(ccc1-c2ccccc2Cl)C(=O)O	6
+O=S(=O)(N1CCOc2c1cc(C(Nc3ccc(cc3)C(O)=O)=O)cc2)c4c(OC)ccc(Cl)c4	6
+c1cc(ccc1NCCOc2c3c(ccc2)cccc3)C(=O)O	6
+c1cc(ccc1OCCOCCOC)CO	217
+c1cc(ccc1Oc2ccccn2)C(=O)O	6
+c1cc(ccc1C(=O)O)C(Oc2ccc(cc2)Br)CCCCCC	1
+c1cc(ccc1CBr)Cc2cc(Br)ccc2Cl	394
+c1cc(ccc1Cc2cc(Br)ccc2Cl)CCOC(C)=O	394
+FC(F)COc1ccc(cc1)Cc2cc(ccc2Cl)Br	394
+c1cc(ccc1O)C(c2c3ccccc3[nH]c2)=O	5
+c1cc(ccc1O)C(c2cc(Br)c(cc2)OCCBr)=C(c3ccccc3)CC	1051
+c1cc(ccc1C(=O)O)C(c2cc(OC)c(OC)cc2)=O	1
+c1cc(ccc1C(c2cc(OC)c(c(c2)OC)OC)O)OC	488
+c1(cc(cc(OC)c1OC)Cc2ccc(cc2)OC)OC	452
+c1cc(ccc1Br)C(=O)c2ccc(O)c(F)c2	5
+c1cc(ccc1C(CC(O)=O)c2ccc(cc2)Cl)Br	3
+c1cc(ccc1C(c2ccc(cc2)Cl)N3CC(C3)C(c4cc(F)cc(c4)F)C(C)=O)Cl	86
+c1cc(ccc1F)C2(c3ccc(cc3)F)C(=O)NCC2	10910
+c1cc(ccc1F)C2(c3ccc(cc3)F)CCCNC2=O	5058
+c1cc(ccc1F)C(c2ccc(cc2)F)=Cc3n(nnn3)C	10911
+c1cc(ccc1C(c2ccc(cc2)F)=C(n3cnnn3)CO)F	5083
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(C=O)n3cnnn3	5076
+c1cc(ccc1F)C(c2ccc(cc2)F)CCO	44
+c1cc(ccc1C(c2ccc(cc2)F)CCCCC(=O)N3CCNCC3)F	2
+c1cc(ccc1F)C(c2ccc(cc2)F)CCCCCN3CCN(CC3)CCOc4cc(c(OC)cc4)OC	15
+c1cc(ccc1C(c2ccc(cc2)O)=C(CC)c3cccc(OCCCCO)c3)O	44
+c1cc(ccc1C(c2ccc(cc2)O)=C(c3ccc(cc3)OCC(=O)O)CCCC)O	3
+c1cc(ccc1C(c2ccc(cc2)O)=C(CC)c3cccc(OCC(=O)O)c3)O	3
+c1cc(ccc1C(c2ccc(cc2)OC)(c3ccccc3)OCc4cc(CN)ccc4)OC	107
+c1cc(ccc1C(=O)c2ccc(cc2)[N+]([O-])=O)O	5
+c1cc(ccc1Cl)C(O)c2cc3c(cc(nc3cc2)O)-n4cncc4	488
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)(c3cc4c(cc3)nccc4Br)O	10912
+c1cc(ccc1C(c2ccc3c(c(cc(n3)O)-n4cncc4)c2)=O)Cl	10913
+c1cc(ccc1)C(=CC(NCCCCCCCCCC)=O)c2ccc(cc2)N	0
+CC(C)c1ccc2c(C(c3ccccc3C2=O)=O)c1	358
+c1cc(ccc1Cl)C(O)c2ccccc2Cl	488
+C1CNCCC1=C(c2cccnc2)c3ccc(cc3)F	215
+c1cc(ccc1C(c2n(c(C(OCC)=O)cc2C)CC)O)CCl	5084
+c1cc(ccc1CCl)Cc2c(cc(C(OCC)=O)n2CC)C	3156
+c1cc(ccc1C(c2sc(S(=O)(=O)N)cc2)=O)O	5
+c1cc(ccc1C)-c2c(c(CC(C)C)nc3c2cc(OCCO)cc3)C#N	59
+c1cc(ccc1C)-c2c(cccc2)C(Nc3ccc(cc3)C(N(C)c4c(cccc4)C=O)=O)=O	39
+c1cc(ccc1N)Nc2c3c(ccc2)nc(-c4ccc(cc4)C)c(n3)-c5ccc(cc5)C	0
+n1cc(cnc1OCCOc2ncnc(N)c2-c3ccc(cc3)C)Br	482
+c1cc(ccc1C)-c2cc(-n3nnnc3)cc(C(O)=O)c2	1
+c1cc(ccc1-c2cc(cc(N)c2)C(OC)=O)C	0
+c1cc(ccc1C)-c2cc(cc(C(O)=O)c2)-n3c(C)nnn3	1
+c1cc(ccc1-c2n3c(c4ccccc4n3)nc(C)c2C(CCC)C(=O)O)C	4
+c1cc(ccc1C)-c2c(nc3cccc(c3n2)Nc4ccc(cc4)[N+](=O)[O-])-c5ccc(cc5)C	4483
+c1cc(ccc1C)-c2nc3cccc(c3nc2-c4ccc(cc4)C)N	13
+c1cc(ccc1C)-c2oc(C)c(n2)Cc3cccc(CO)c3	41
+c1cc(ccc1C)-n2c(NC(=O)Oc3ccccc3)cc(C(C)(C)C#C)n2	278
+c1ccccc1-c2c(-c3ccc(cc3)C)nc4cccnc4n2	2235
+c1cc(ccc1-n2cc(cn2)[N+](=O)[O-])C	1158
+c1cc(ccc1C)C(O)C(Nc2c(Cl)nccc2)=O	5085
+c1cc(ccc1C)C(O)C(=O)Nc2c(-c3cc(OC)c(cc3)OC)cccc2	5085
+c1cc(ccc1F)-c2scc(n2)-c3ccc(cc3)C	1741
+c1cc(ccc1C(Nc2ccc(cc2)C(=O)CCC(OC)=O)=O)C	50
+c1cc(ccc1C)-c2nnc(o2)CCl	1705
+c1cc(ccc1Cc2c(C)cc(cc2)OC)C	394
+c1cc(ccc1C(O)CN(Cc2cc(ccc2)Br)C)C	74
+c1cc(ccc1C)C=Cn2c3c(c4CN(C)CCc24)cccc3	10914
+c1ccccc1CNc2c(c3c(c(C)c2C)OC(C)(C)C3c4ccc(cc4)C)C	250
+c1cc(ccc1C)C2N(CCC2)c3nc(cc(n3)C(O)=O)Nc4sc(C#N)cn4	1
+c1cc(ccc1Cl)CC(NN2N=C(c3ccccc3C2=O)c4ccc(cc4)C)=O	2487
+c1cc(ccc1C)CC(C(OCC)=O)OCC	10915
+c1cc(ccc1CC(CO)OCC)C	44
+c1cc(ccc1CC(C)(C)N)C	2886
+c1cc(ccc1CC2(CCCN(C(=O)C)C2)C=O)C	24
+c1cc(ccc1C)CC2=Nn3c(C(N2)=O)c(C)nc3C(C(C)O)CCCCC	5064
+c1cc(ccc1S(=O)(=O)OCCCc2ccc(cc2)C)C	36
+c1cc(ccc1CCOS(=O)(=O)c2ccc(cc2)C)C	36
+c1cc(ccc1C)CC2=NC(c3c(C)nc(C(CCCCC)C(=O)C)n3N2)=O	3164
+c1cc(ccc1C)Cc2nc(c(C(N)C)nn2)O	524
+c1cc(ccc1NC(=O)NC2(c3c(cccc3)N(C2=O)CC(OCC)OCC)CC(=O)Nc4ccc(cc4)C)C	33
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2)C)F	69
+c1cc(ccc1C)N(N)CCc2cnc(Cl)cc2	1651
+c1cc(ccc1C)NS(=O)(=O)Nc2c(-c3ccc(cc3)C)c(Cl)ncn2	570
+c1cc(ccc1Oc2ccc(cc2)C)C=O	46
+c1cc(ccc1Oc2ccc(cc2)C)[N+]([O-])=O	46
+c1cc(ccc1C)OCCNCC	15
+c1cc(ccc1Oc2c(cc(cc2)C)CO)C	49
+c1cc(ccc1Sc2nc(ncc2)Cl)C	1124
+O=S(=O)(Nc1c(C(=O)OC)cc(cc1)Oc2cc(C)c(cc2)NS(=O)(=O)c3ccc(cc3)C)c4ccc(cc4)C	69
+c1cc(ccc1N(C)C)C=Cc2ccc(OCCOCCOCCOS(=O)(=O)c3ccc(cc3)C)nc2	36
+c1cc(ccc1NC(=O)C)CCCCOS(=O)(=O)c2ccc(cc2)C	36
+O=S(=O)(c1ccc(cc1)C)OCCc2ccc(cc2)-c3cc4c(CN(CC4)C(=O)COC(C)=O)cc3	36
+c1cc(ccc1CCOS(=O)(=O)c2ccc(cc2)C)Br	36
+c1cc(ccc1C)S(=O)(=O)OCCc2ccc(cc2)F	36
+c1cc(ccc1[N+]([O-])=O)CCOS(=O)(=O)c2ccc(cc2)C	36
+c1cc(ccc1CNc2oc(-c3cc4c(cc3)n(S(=O)(=O)c5ccc(cc5)C)cc4I)nn2)OC	367
+c1cc(ccc1S(=O)(=O)NCC(CC(=O)Nc2ccccc2)c3ccc(cc3)Cl)C	71
+c1cc(ccc1S(=O)(=O)N2C(c3ccc(cc3)F)CCC2C(OC)=O)C	1387
+c1cc(ccc1C)S(=O)(=O)Nc2c(NC(=O)Nc3ccc(cc3)F)cccc2	69
+c1cc(ccc1C)S(=O)(=O)OCCOc2cc3nc(cnc3cc2)-c4ccc(cc4)N(C)C	36
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2)F)C	69
+c1cc(ccc1Nc2nc(-c3ccccc3)c(cn2)C#N)OCCOS(=O)(=O)c4ccc(cc4)C	36
+c1cc(ccc1O)CCOS(=O)(=O)c2ccc(cc2)C	36
+c1cc(ccc1OC)CCCCOS(=O)(=O)c2ccc(cc2)C	36
+c1cc(ccc1OC)Cn2nc3c(c2)-c4c(CCN3CCOS(=O)(=O)c5ccc(cc5)C)sc(Nc6ncc(cn6)F)n4	36
+c1cc(ccc1C)S(=O)(=O)OCCCOc2ccc(cc2)-c3cn4cc(ccc4n3)Br	36
+c1cc(ccc1C)S(=O)(=O)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	36
+c1cc(ccc1S(=O)(=O)OCC2CCc3c(C2)ccc(C4CC5(COC(=O)N5)CC4)c3)C	36
+c1cc(ccc1S(=O)(=O)OCC2CCc3ccc4c(NC(=O)N4)c3O2)C	36
+O=S(=O)(c1ccc(cc1)C)n2cccc2	917
+O=S(=O)(c1ccc(cc1)C)OC(C)CCOc2cc(ccc2)CC(=O)OC	36
+c1cc(ccc1S(=O)(=O)OCCC2c3c(CCC=4CC=CCC2=4)cccc3)C	36
+c1cc(ccc1C)S(=O)(=O)OCC(N2C(c3c(cccc3)C2=O)=O)C	36
+O=S(=O)(OCC1Oc2c(cccc2)OC1)c3ccc(cc3)C	36
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCOCCOS(=O)(=O)c4ccc(cc4)C	36
+c1cc(ccc1C)S(=O)(=O)OCC2C(NC(Cc3ccccc3)=O)C(N2Cc4c(OC)cc(cc4)OC)=O	36
+c1ccccc1CCOCCOS(=O)(=O)c2ccc(cc2)C	36
+c1ccccc1CNC2C(C)CC(COS(=O)(=O)c3ccc(cc3)C)CC2	36
+c1cc(ccc1)COC(=O)N2CCC(NC(OCc3ccccc3)=O)C2COS(=O)(=O)c4ccc(cc4)C	36
+c1cc(ccc1S(=O)(=O)NCC2=CC(C(=CO2)OCc3ccccc3)=O)C	2422
+c1cc(ccc1C)S(=O)(=O)OCC(COCc2ccccc2)CC	36
+c1cc(ccc1S(=O)(=O)OCC2CC=CCC2COCc3ccccc3)C	36
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCCOCCOCCOCc2ccccc2)C	36
+O=S(=O)(c1ccc(cc1)C)OCC(Cc2c(OCc3ccccc3)c4CCCc4cc2Cl)O	36
+O=S(=O)(c1ccc(cc1)C)OC(C)CCOc2ccccc2	36
+c1cc(ccc1S(=O)(=O)OCCC2CC2C3CCN(CC3)c4ncc(cn4)Cl)C	36
+O=S(=O)(c1ccc(cc1)C)OC(Cc2nc3c4c(c(ccc4)OC)nc(n3n2)NCc5ccc(OC)cc5OC)C	36
+c1cc(ccc1C)S(=O)(=O)OCC2OC(c3cc(Cc4sc(cn4)-c5occc5)c(cc3)Cl)C(O)C(O)C2O	36
+c1cc(ccc1S(=O)(=O)n2ncc3c(cc(Br)cc23)C#N)C	3123
+O=S(=O)(c1ccc(cc1)C)OC(CC=Cc2cncc(OC)c2)C	36
+O=S(=O)(c1ccc(cc1)C)OCCn2cc(cn2)I	36
+O=S(=O)(c1ccc(cc1)C)OCCn2ccnn2	36
+c1(cccc(-c2ccnc3n2ncc3C(=O)c4occc4)c1)NCC	2252
+c1cc(ccn1)CN2CC(C)(C)C(NC(=O)CC3N(S(=O)(=O)c4ccc(cc4)C)C=CNC3=O)CC2	48
+c1cc(ccc1-c2cc3NCC(C)N(C(C)=O)c3cn2)S(=O)(=O)C	2252
+n1ccn(c1)-c2ccc3OCCNCCOc3c2	2721
+c1cc(ccc1C)S(=O)(=O)N2CCOc3cc(ccc3OCC2)N	0
+c1cc(ccc1C)S(=O)(=O)N2CCc3c(C2)cc(C(O)=O)s3	6
+c1cc(ccc1C)S(=O)(=O)NCCc2ccccc2O	5
+c1cc(ccc1C)S(=O)(=O)Nc2c(C(OC)=O)cc(cc2)Oc3ccc(N)c(NCCCC)c3	0
+c1cc(ccc1C)S(=O)(=O)Nc2c(C(OC)=O)cc(Oc3cc(C)c(cc3)N)cc2	0
+c1cc(ccc1C)S(=O)(=O)Nc2ccc(cc2C(OC)=O)Oc3cc(c(N)cc3)OCCC	0
+c1cc(ccc1C)S(=O)(=O)OCC(CC)CO	118
+O=C1c2c(cccc2)C(=O)N1C(COc3c4c(cncc4)ccc3)C	267
+O=S(=O)(CC)NC1C(CCCC1)CSc2ccc(cc2)C(C)C	3138
+c1cc(ccc1S(=O)(=O)OCC2CCc3c(O2)c(cc(F)c3)Br)C	374
+c1cc(ccc1CC(C)(C(OCC)=O)OC)OCCC2=CN(Cc3ccc(cc3)C)C(N2CCC)=O	450
+c1cc(ccc1OC)CN2C(CN(Cc3cc(C)c(C)cc3)C2=O)CCOc4ccc(cc4)OC(C)(C)C(OCC)=O	267
+c12c(cccc1)C(=O)N(C2=O)CCCCC=C	2140
+c1cc(ccc1C(OCC)=O)OCCCCCC(OC)C	267
+c1cc2CCN(Cc2cc1)CCCCOc3cccc(Cl)n3	236
+c1cc(ccc1OCCC[Si](C)(C)CCCC)O	450
+C1CN(CCN1CCCc2c[nH]c3c2cc(OC)cc3)c4ccc(cc4)N5C(=O)c6ccccc6C=C5	236
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(nc4)c(C)c(-c6ccc(cc6)OCCCl)cc5	267
+c1cc(ccc1Cc2c(ccc(C3C(O)C(O)C(O)C(CO)O3)c2)Cl)OCCOCCF	450
+c1cc(ccc1CCSc2c(cccc2)N)C#N	3138
+c1cc(ccc1C)S(=O)(=O)OCCC2=CN(C(=O)N2CCC)Cc3ccc(cc3)C	1312
+c1cc(ccc1S(=O)(=O)OCc2ccc(cc2)OC(=O)C(C)=C)C	1312
+c1cc(ccc1C)S(=O)(=O)OCCC2N(C(N(Cc3cc(C)c(C)cc3)C2)=O)Cc4ccc(cc4)OC	1312
+C1C(CC1COS(=O)(=O)c2ccc(cc2)C)c3n4ccnc(N)c4c(-c5cc(OCc6ccccc6)ccc5)n3	1312
+C1CCCCN1CCOc2cc(ccc2Br)O	4963
+C1CC(CCN1Cc2c3c([nH]c(-c4c5c(cc(c(OC)c5)OC)n(c4)C)c3)ncc2)O	392
+c1cnc2[nH]c(-c3c4nc(OC)c(cc4n(C)c3)OC)cc2c1CNCCc5n(cnc5)C	392
+CC(C)c1c2c(ncc(c2)Br)[nH]c1	392
+c1cc(ccc1C)S(=O)(=O)n2c3c(cc2)c(ccc3)CN	817
+Clc1cnc2[nH]cc(-c3nc(c(cn3)F)NC4CN(CC(COC)O)CCC4)c2c1	392
+C1CC2(CCN1c3nc(OC)cc(n3)C)C(=O)N(Cc4c5c([nH]c4)cccc5)CCC2	5010
+O=S(=O)(n1ncc(c1)C=O)c2ccc(cc2)C	576
+C1(CNc2c(F)cnc(-c3c[nH]c4ncc(cc34)Cl)n2)CCCCC1N	392
+C1C(CC1)(C)C(CC(=O)OC)Nc2nc(ncc2F)-c3c[nH]c4ncc(cc34)F	392
+c1cc(ccc1C)S(=O)(=O)n2cc(CO)cn2	536
+O=S(=O)(c1ccc(cc1)C)n2c3c(cc2)n4c(cn3)nnc4C5C(CC)CC(C5)NC(C)=O	10916
+c1cc(ccc1C2(CN(Cc3ccccc3)CC2)C)N	15
+c1cc(ccc1C2(C(=O)NC(NC2=O)=O)N3CCN(CC3)c4ccc(cc4)N5C(=O)CCC5=O)-c6ccccc6	10917
+c1cc(ccc1C2(C(c3ccc(cc3OC2)OCOC)c4cccc(O)c4)C)OCOC	4250
+c1cc(ccc1OCc2cc3c(Br)csc3cc2)C4(CC(C4)=O)CC(OCC)=O	20
+c1cc(ccc1-c2csc(n2)N)C3(CC3)C(=O)O	4
+c1cc(ccc1C2(c3ccc(cc3)-c4noc(CO)n4)CC5CC2CC5)OCc6ncccc6	59
+C1CC(CCC1=O)(c2ccc(cc2)F)C#N	10918
+c1cc(ccc1CCNC(=O)C2(CCC2)c3ccc(cc3)Cl)OC	9
+c1cc(ccc1Cl)C2(CCC2)CN3CC(CCCC3)CO	15
+c1cc(ccc1N)C2(CCC2)c3ncco3	0
+c1cc(ccc1C2=CCC3(OCCO3)CC2)F	252
+C1CC(CCO1)(c2ccc(cc2)OCCCN3CCCC3)CO	95
+C1COCCC1(c2ccc(cc2)N)C(OC)=O	0
+C1CC(CCO1)(CCNCc2ccccc2)c3ccc(cc3)F	42
+c1cc(ccc1-c2c(Cl)cc3[nH]cc(C(OC)=O)c3c2)C4(COC4)CO	118
+c1cc(ccc1I)C(C=O)C	10919
+c1cc(ccc1C2(OCC(C)(C)CO2)CSCC(=O)N3C(c4ccccc4)COC3=O)C	2912
+c1cc(ccc1C2(OCC(C)(C)CO2)CSCC(=O)O)C	3
+c1cc(ccc1CC=C(C)C)C(C)=O	1367
+C1COC(O1)(C)c2ccc3noc(-c4ccccc4)c3c2	10920
+c1(cc(cc(Cl)c1OCCCC(=O)c2ccc(cc2)F)OCC=C(Cl)Cl)Cl	1367
+O1CCOC1(c2ccc(cc2)Cl)c3ccc4nc(cc(c4c3)-c5cccc(OC)c5)O	10921
+c1cc(ccc1C(O)=O)C2(SC(=NC(c3ccc(cc3)F)C)NC2=O)C	1
+c1cc(ccc1C2(c3ccc(cc3)F)CCCN(C2=O)CC(=O)O)F	3
+c1cc(ccc1C#N)C2(c3ccc(cc3)OCc4ncccc4)CC5CC2CC5	274
+c1cc(ccc1C=2CCCCC=2C)C(N3Cc4cccn4Cc5ccccc35)=O	610
+c1cc(ccc1-c2c(-c3ccncc3)c(O)nnc2)Cl	10922
+c1cc(ccc1C=2C(=O)N3C=Cc4c(ncn4C)C3=C(C(=O)O)C=2)OCc5ccccc5	127
+c1cc(ccc1C2=CC(=C3c4sccc4C=CN3C2=O)C(O)=O)OCc5ccccc5	127
+c1cc(ccc1F)C2CCC3(CC2)OCCO3	191
+c1cc(ccc1C2CCC3(CC2)OCCO3)OC	191
+c1cc(ccc1C=2NC(=O)ON=2)N	10923
+c1cc(ccc1-c2nnc(O)cc2)CCOC(=O)C	2566
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(O)=O)N	1
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(O)=O)NC(C(C)C)=O	1
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(=O)OC)N	0
+c1cc(ccc1N2C(=O)C=CC=N2)C3C(CN(C)C)C3	10924
+c1cc(ccc1C2C(c3c4c(c(O)nn3)cccc4N2)c5ccc(cc5)F)C=O	10925
+c1cc(ccc1C2Oc3ccc(O)cc3C(C)=C2c4ccc(Cl)c(F)c4)OCC(N5CCC(CF)C5)C	805
+C1CN(CCC12C(c3ccc(cc3)F)C(=O)NC2)Cc4ccccc4	1781
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)NS(=O)(=O)c4ccc(cc4)C(C)C	69
+c1cc(ccc1C(C)C)S(=O)(=O)Nc2ccc(cc2)C3CC4CN(CC34)CCC	15
+c1cc(ccc1Cl)C2CCCC(C2)C=O	1143
+C1C(=O)N(C(CC1c2ccc(cc2)N)=O)C	0
+c1cc(ccc1C2CC(=O)N(C2C(OCC)=O)C)N	0
+CC1(C)CC(c2ccc(cc2)Cl)c3c(cc(O)cc3)C1=O	5
+c1cc(ccc1CC(F)F)C2CC(C(O)=O)CN(C2)C(C)=O	4
+c1cc(ccc1C2CC(c3onc(CCOC)n3)CN(C(=O)Oc4ccc(cc4)[N+](=O)[O-])C2)CC(F)F	66
+c1cc(ccc1C2CC(NC(c3cc(c(cc3)F)OC)C)CC2)CC(O)=O	3
+c1cc(ccc1C2CC2C(=O)NCCCCCCCCCC)N	0
+c1cc(ccc1C(=O)O)C2CCC(=O)NC2	6
+c1cc(ccc1O)C2CCC(CC2)CC(=O)OCC	774
+c1cc(ccc1C2CCC(CC2)C(=O)O)NC(c3cc(Cl)c(Cl)cc3)=O	887
+c1cc(ccc1C2CCC(c3ccc(cc3)[N+]([O-])=O)N2c4ccc(cc4)-c5cnc(cc5)N6CCOCC6)N	0
+c1cc(ccc1C2CCC(c3ccc(cc3)N)N2c4ccc(cc4)-c5ccc(N6CCOCC6)nc5)N	0
+C1CC(CCC1c2ccc(cc2)OC)=O	97
+c1cc(ccc1C)C2N(c3nc(cc(n3)C(OC)=O)Nc4sc(C#N)cn4)CCC2	117
+C1CC(CCN1CC2CNCC2C3CC3)c4ccc(cc4)F	1569
+c1cc(ccc1)CN2CCC(c3ccc(cc3)F)C(C2)O	131
+C1CS(CCN1C(N2CC(c3ccc(cc3)OC(F)F)CC(C(O)=O)C2)=O)(=O)=O	4
+c1cc(ccc1C2CC(=O)N(C2)CC(O)=O)Cl	3
+c1cc(ccc1C)C(Cn2c3c(cccc3)c4CN(CCc24)C)O	2695
+c1cc(ccc1Cl)C2C(O)CCOC2	100
+c1cc(ccc1S(=O)(=O)n2nc(c(c2C)CCN3CCCC3c4ccc(cc4)C=CC(=O)OC)C)C	123
+c1cc(ccc1-c2nc(C)on2)C3OCCN(C3)C4=NC(c5ccncn5)=CC(=O)N4C	2803
+c1cc(ccc1F)C2CC(O)Cc3sc(Nc4cc(c(-n5cc(nc5)Cl)cc4)OC)nc23	100
+c1cc(ccc1C2CCCN3CCS(=O)(=O)N=C23)Oc4c(C)cccc4	2293
+O=S1(=O)CCN2CCCC(c3ccc(cc3)Oc4ccc(F)c(C)c4)C2=N1	2293
+c1cc(ccc1Oc2ccc(C)c(C)c2)C3CCCN4CCS(=O)(=O)N=C34	2293
+c1cc(ccc1CN)C=2C=CC(N(N=2)Cc3cc(NC(OCC)=O)ccc3)=O	107
+c1cc(ccc1Cl)-c2cc(ncc2)O	10926
+c1cc(ccc1-c2cc(O)nnc2)F	10927
+c1cc(ccc1Br)Oc2c(sc3cc(ccc23)OC)-c4ccc(cc4)OC	10928
+c1cc(ccc1[N+]([O-])=O)C2C(=C(NC(CCC)=C2C(OCc3ccccc3)=O)CCC)C(=O)OCCC#N	10929
+c1cc(ccc1C2C(C(c3ccccc23)=O)C(OCC)=O)O	10930
+c1cc(ccc1C=C(CO)C)C	10931
+c1cc(ccc1CCc2n3cncc3ccc2)C=C(C)C(O)=O	108
+c1cc(ccc1C(=O)O)CC(C)=O	4964
+CC(C)(c1ccc(cc1)C=C(CO)C)CC	2874
+C1CN(CCN1C(=O)C)c2ccc(cc2)C=Cc3cc(cc(-c4ccncc4)c3)Cl	722
+c1cc(ccc1C=Cc2cc(F)cc(-c3ccncc3)c2)N4CCN(CC4)C(=O)C	722
+c1cc(ccc1CC2SC(NC2=O)=O)OCCN(c3nc4ccccc4s3)C	534
+c1cc(ccc1-c2cc(ccc2)C(=O)O)C=C3SC(=O)NC3=O	6
+c1cc(ccc1CC2SC(NC2=O)=O)OCCc3ccc(cc3)C#N	534
+c1ccccc1CCSc2ccc(cc2)CC3SC(=O)NC3=O	534
+c1cc(ccc1COCC(=O)O)C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5	3
+c1cc(ccc1-c2cccc(c2)N(C(NCCCCCCC)=O)CC)CCC(=O)O	159
+c1cc(ccc1C=CC(=O)O)-c2cc(ccc2)N(C(NCCCCCCC)=O)CC	127
+c1cc(ccc1CCC(=O)OC)C	159
+c1cc(ccc1CCC(=O)OC)C(=O)O	159
+c1cc(ccc1CNc2ccc(cc2)C=CC(=O)OCC)C#CCCCCCCCC	208
+c1cc(ccc1CCC(c2cc(Cl)ccc2)=O)Cl	2301
+c1cc(ccc1Cl)CCC(=O)C(C)(C)C(C)C	1847
+c1cc(ccc1C=CC(C(CC=Cc2ccccc2C)(CCC(O)=O)c3ccccc3)=O)Cl	4
+c1cc(ccc1C#Cc2ncc(cc2F)-c3ccc(cc3)Cl)C=CCN4CCC(CC4)(C)O	129
+c1cc(ccc1F)CCc2ccc(F)cc2C#N	1442
+c1cc(ccc1C=Cc2cc(OCC(CCCC)CC)c(N)cc2OCC(CCCC)CC)C#N	0
+c1cc(ccc1C=Cc2cc(ccc2)-n3c(c(c(CC)n3)C(=O)O)CC)Cl	1
+c1cc(ccc1CCc2cc(F)cc(-c3ccncc3)c2)N4CCN(CC4)C(=O)C	1442
+c1(cc2c(ccc3ccc(OC)cc23)cc1)Br	5086
+c1(cc2c(ccc3c2cc(Cl)cc3)cc1)Br	5086
+C1CN(CCC1c2c[nH]c3c(C(=O)N)cc(-c4ccc(cc4)CNOC)cc23)S(=O)(=O)CC	1059
+c1cc(ccc1CNOC)F	1059
+c1cc(ccc1-c2cc(cc(c2)-c3ccccc3)C(NC)=O)C=O	11
+c1cc(ccc1-c2ccc(OCc3ccccc3)c(CN(C)C(CCCCCCC)=O)c2)C=O	11
+c1cc(ccc1C=O)-c2cc(ccn2)-c3n4c(nc3-c5nc(C)ccc5)ccc(c4)Cl	119
+c1cc(ccc1C=CC(=O)OC)C	10932
+c1cc(ccc1C#Cc2ccc(cc2)C(=O)OCC)C=O	129
+CC(C)C(C(=O)OC)C(=O)Nc1ccc(cc1)C#Cc2ccc(cc2)C=O	129
+c1cc(ccc1C#N)CN(Cc2ccc(cc2)C#N)CCCCN(CCC)CCC	48
+c1cc(ccc1C#N)-c2nc3c(cccc3)[nH]2	622
+C1CCCC1CC(=O)c2ccc(cc2)CO	41
+c1cc(ccc1C(=O)O)C=NNc2c3cnn(-c4ccccn4)c3ncn2	878
+c1cc(ccc1C(OC)=O)CN(CCOc2ccc(cc2)Cc3ccc(cc3)-c4occn4)CCN5CCOCC5	48
+c1cc(ccc1-c2nc3c(cccc3)[nH]2)C(OC)=O	622
+c1cc(ccc1C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5)CO	41
+c1cc(ccc1CO)C=O	41
+c1ccccc1-c2c(CC)sc(C(C=Cc3ccc(cc3)C=O)=O)c2	307
+c1cc(ccc1C=Cc2nc(N)nc(N)n2)C=O	10933
+c1cc(ccc1C=O)CCOC(=O)c2ccccc2	279
+c1cc(ccc1C=C)Cc2cc(ccc2Cl)Br	443
+c1cc(ccc1F)C=Nc2ccc(cc2)S(=O)C	457
+c1cc(ccc1Oc2ccc(cc2)C=O)-c3occn3	46
+c1cc(ccc1Oc2ccc(cc2)C=O)C#N	46
+c1cc(ccc1C(=O)OC)Oc2ccc(cc2)C=O	46
+c1cc(ccc1OC)-c2cc(Oc3ccc(cc3)C=O)ccc2	46
+c1cc(ccc1F)-c2ocnc2	2288
+c1cc(ccc1Oc2cccc(OCC=C)c2)C=O	46
+c1cc(ccc1C=O)OCCN(c2nc3ccccc3s2)C	57
+c1cc(ccc1Oc2c(c(CCCCC)cc3cc(OC)ccc23)-c4ccccc4)C=O	46
+c1ccccc1C(c2ccccc2)C3OCCC(NCc4ccc(cc4)F)C3	42
+c1cc(ccc1C=CCCCCCCCC(=O)O)F	5011
+c1cc(ccc1OCCN(c2ncccn2)C)C=O	57
+c1ncncc1Oc2ccc(cc2)C=O	3029
+c1cc(ccc1C2C(c3ccc(OC4CCCCO4)cc3OC2c5ccc(cc5)I)=O)F	10934
+c1cc(ccc1Oc2ncc(cc2)C(N)=O)C=O	136
+c1cc(ccc1C=CC=2N(C(=O)c3c(cccc3)N=2)c4ccc(cc4C)C#Cc5ccccc5)O	2066
+c1cc(ccc1C=C(C(c2ccccc2)=O)C(OCC)=O)O	10935
+c1cc(ccc1OCc2cscc2)C=O	20
+c1cc(ccc1CO)OC(C)C(=O)OC	41
+c1cc(ccc1OCC)CO	41
+c1cc(ccc1CO)OCCF	41
+c1cc(ccc1OCCOC)CO	41
+c1c(Cl)c(c(cc1C)Cl)OCCOc2ccc(cc2)CO	41
+c1cc(ccc1CCOc2ccc(cc2)C=O)O	173
+c1ccccc1-c2c(C)cc3cc(ccc3c2Oc4ccc(cc4)O)OC	1437
+C1CC(CCN1Cc2ccc(cc2)Oc3cc(c(cc3F)F)F)c4c(C)ccc(NC(=O)OCc5ccccc5)c4	48
+C1CC(CCN1C(C)=O)c2nc(Nc3ncc(Oc4ccc(cc4)CO)cc3Sc5ccccc5Cl)sn2	41
+c1cc(ccc1S)C=O	5087
+c1cc(ccc1Sc2c(Br)cccc2)CO	41
+c1cc(ccc1CN2c3c(C(N(Cc4ccc(cc4)C(OC)=O)C2=O)=O)cccc3)C	1939
+c1cc(ccc1CN2C(=O)N(CCC)C(C(OCc3ccccc3)C)=N2)C	1712
+c1cc(ccc1S(=O)(=O)N(C2CCCC(C)C2)Cc3ccc(cc3)C(OC)=O)Cl	692
+C1CC1CN2CCC34C5(C2Cc6c3c(OC4C(OCc7ccc(cc7)OC)CC5)c(cc6)OCc8ccccc8)O	149
+c1cc(ccc1CC2CCN(c3sc(c(C)n3)C(NCc4ccccc4)=O)C2=O)OC(F)F	1554
+c1cc(ccc1)S(=O)(=O)NC(=O)c2cc(c(NC(C)=O)cc2)NCc3ccc(cc3)OCc4ccccc4	608
+c1cc(ccc1-n2cnc3c2c4c(nc3)ccc(-c5ccc6OCOc6c5)c4)CCN	51
+c1cc(ccc1C2=CN(Cc3ccc(cc3)Cl)C(C=C2)=O)CC#N	2243
+c1cc(ccc1Nc2ncc(cc2)C(=O)N)CC#N	201
+c1cc(ccc1C=O)CC(=C(C(=O)OC)C(C)C)C(OC)=O	39
+c1cc(ccc1CC(C(OCC)=O)CP(=O)(O)C(C)NC(=O)OCc2ccccc2)Br	10936
+CN(C)CCNC(=O)Cc1ccc(cc1)N	890
+c1cc(ccc1Cc2oc(nn2)-c3c(c4C(=O)N(C)CCn4c3)OC)F	10937
+c1cc(ccc1CCCCO)CC(OC)=O	213
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)O	5
+c1cc(ccc1Oc2cc(ccc2)N)CC(=O)OC	0
+c1cc(ccc1C(=N)N)CC(C(=O)NC(C(OC)=O)C2CCCCC2)C(=O)NCc3ccccc3	3814
+c1ccccc1C(Cc2ccc(cc2)Cl)C(O)=O	4
+c1cc(ccc1-c2ccccc2C#N)CC3=C(n4c(N(C(C)COC)C3=O)nc(C)n4)CCC	3241
+c1cc(ccc1CC(C(O)=O)Cl)OCC2(CCc3c(C)c(OC(C)=O)c(c(C)c3O2)C)C	3
+c1cc(ccc1CC(C(O)C)c2cc(Br)ccc2)Cl	100
+c1cc(ccc1OCCc2ccc(cc2)COC)CC(CC)C(OC)=O	20
+c1ccccc1CC2(CCCC2)C(NC(C(OC)=O)Cc3ccc(cc3)N)=O	0
+c1cc(ccc1N)CC(C(OC)=O)NC(c2c(Cl)cccc2C)=S	0
+c1cc(ccc1N2CCN(CC2)C)CC(C)C(=O)OCC	2283
+c1cc(ccc1CCC(=O)C)[N+]([O-])=O	1965
+c1cc(ccc1OCCC2=CN(Cc3ccc(cc3)C)C(N2CCC)=O)CC(C(O)=O)(C)OC	3
+CC(C)(CN1CCCC(CNC(=O)Nc2cc(-c3n(nnn3)C)ccc2)C1)Cc4ccc(cc4)F	15
+c1cc(ccc1CC(CCC2(CC2)CC(OCC)=O)C=Cc3c(cccc3)OCCCCCc4ccccc4)C(=O)OC	8
+c1cc(ccc1F)-c2cnc3ncc(Cc4ccc(cc4)OC)n3c2	2583
+c1cc(ccc1CC(NC(=O)CCCCCCc2ccccc2)CCC#N)OCc3ccccc3	143
+c1cc(ccc1F)CC(CCC2CCC(=O)N2)O	100
+c1cc(ccc1C(OC)=O)CC(C=O)CCCCC#N	24
+C1CCCCN1C(CN2C3=NC(c4oc(Cc5ccc(cc5)F)cn4)=C(OCc6ccccc6)C(=O)N3C=C2)=O	10938
+c1cc(ccc1C2CC(CNC2)c3onc(CCOC)n3)CC(F)F	526
+c1cc(ccc1CC(N2CCOC(c3cccc(n3)Cl)C2)C)OCCO	15
+C1CCCC1(C(NC(Cc2ccc(cc2)N)C(=O)OC)=S)CCCCS(=O)(=O)C	0
+c1cc(ccc1N)CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O	0
+c1cc(ccc1CC(C(OC)=O)NC(c2c(Cl)cccc2C)=S)[N+]([O-])=O	581
+c1cc(ccc1C)CC(=O)Nc2c(ccc(-c3c(cccc3)-c4nnn[nH]4)c2)-n5nccc5	33
+c1cc(ccc1OC)-c2cnc(-c3cc(ccc3)C(NNC(Cc4ccc(cc4)C(OC)=O)=O)=O)o2	708
+c1cc(ccc1NS(=O)(=O)C)-c2nnc(NNC(Cc3ccc(cc3)Cl)=O)cc2	355
+c1cc(ccc1Br)CC(OCc2ccccc2)C(=O)OC	1907
+c1cc(ccc1CC(OC)=O)CC(N)c2cccnc2	10939
+c1cc(ccc1CCc2nc(NC(=O)C)sc2)CCO	95
+c1cc(ccc1OCCCOc2ccc(cc2)CC(OC)C(=O)OCC)OCC(F)(F)C(F)F	8
+c1cc(ccc1C2=C(c3cnccc3)COC2=O)OCc4ccc5ccccc5n4	10940
+c1cc(ccc1-c2c(C)cc(cc2)-c3onc(C)c3NC(OC(c4c(F)cccc4)C)=O)CC(=O)O	3
+c1cc(ccc1N2CCOCC2=O)CC(OCC)=O	1525
+c1cc(ccc1F)S(=O)(=O)NC(Cn2cncc2)C(=O)Nc3ccc(cc3)CC(O)=O	3
+c1cc(ccc1OCC(=O)N(Cc2c(cc(F)cc2)F)Cc3ccc(cc3)CC)CC(OCC)C(OCC)=O	10
+c1cc(ccc1OCC(=O)c2cccc(OC)c2)CC(C(O)=O)OCC	3
+c1ccccc1OC(Cc2ccc(cc2)OCCO)C(OCC)=O	168
+c1cc(ccc1CC(c2ncc(CC(C)(C)CC)n2C)NC)-c3ccc(F)cn3	62
+c1cc(ccc1CNCc2ccc(F)cc2F)CC	162
+c1cc(ccc1C2CN(C(=O)N3CCC(CC3)O)CC(C2)C(O)=O)CC	3
+c1cc(ccc1CC)C2CN(C(=O)Oc3ccc(cc3)[N+]([O-])=O)CC(C2)C(=O)OC	66
+c1cc(ccc1CC)Cc2cc(Br)c(O)cc2Cl	5
+c1cc(ccc1CC)Cc2c(cccc2)O	5
+c1cc(ccc1C)CC2(CCCN(C(=O)C)C2)CC=O	3828
+c1cc(ccc1CC2(CCN(CC2)C(=O)C3CN(c4cc(c(C(C)=O)cc4O3)Cl)Cc5ccccc5)C#N)F	155
+c1cc(ccc1CC2(CCN(CC2)C(=O)C3CNc4cc(Cl)c(cc4O3)C(C)=O)C#N)F	10941
+c1cc(ccc1)CCNC(CCc2ccc(cc2)CC3=C(C)C(=O)C(OC)=C(C3=O)OC)=O	9
+c1cc(ccc1CC=2C(N(c3cccc(c3)C(C)O)C(=NC=2CCCC)C)=O)-c4ccccc4C#N	74
+C1CC(CCC1N2C(C(=C(n3c2ncn3)CCC)Cc4ccc(cc4)-c5ccccc5C#N)=O)=CCO	4283
+C1CC(CCC1Cc2ccc(cc2)F)=O	97
+c1cc(ccc1Cl)CC2N(CC3CC3)CCC2	15
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN	18
+c1cc(ccc1CC=2C(N(C3CCC(CC3)C(=O)O)c4n(ncn4)C=2CCC)=O)-c5ccccc5C#N	3
+c1cc(ccc1CC=2C(N(C3CCC(CC3)OCC(O)C=C)c4n(ncn4)C=2CCC)=O)-c5ccccc5C#N	4796
+c1cc(ccc1Cl)CC=2c3c(C(N(N=2)CC4CCCN4CCN)=O)cccc3	45
+c1cc(ccc1CC=C(C)C)C(C)O	74
+c1ccccc1C(c2ccccc2)(C(N)=O)C3CN(CCc4ccc(cc4)C(=O)N)CC3	28
+c1cc(ccc1[N+]([O-])=O)CCNCCc2ccc(cc2)[N+]([O-])=O	132
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4ccc(cc4)[N+]([O-])=O)O	28
+c1cc(ccc1CCC#Cc2ccc(cc2)OC)CC(OC)=O	121
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)OC	213
+c1cc(ccc1-c2c3c(nc(O)c4sccc34)ccc2O)CCC#N	5
+c1cc(ccc1CCCCCCCCC(O)=O)OC	1571
+c1cc(ccc1[N+]([O-])=O)CCCN	15
+c1cc(ccc1CCC(N)=S)[N+]([O-])=O	199
+c1cc(ccc1C)CCCO	21
+c1cc(ccc1CC2=C(C)C(=O)C(OC)=C(C2=O)OC)CCC(=O)O	1450
+c1cc(ccc1CCC(=O)O)C	4
+c1cc(ccc1CCC(OC)=O)OCc2ccc(cc2)CCl	657
+c1cc(ccc1CCC(=O)O)Cc2c(c(c(OC)c(c2C)OC)OC)OC	3
+c1cc(ccc1CCC(C(NO)=O)(S(=O)(=O)C)C)Oc2ccccc2	792
+c1cc(ccc1C(=O)OC)CCC(C(=O)O)CCC2(CC2)CC(OCC)=O	2819
+c1cc(ccc1-n2cccn2)CCC(S(=O)(=O)C)(C(=O)O)C	3
+c1cc(ccc1CCC(C(OCC)=O)(C)S(=O)(=O)C)-n2cccn2	1158
+O=S(=O)(C(C(=O)O)(CCc1ccc(cc1)Br)C)C	3
+c1cc(ccc1Br)CCC(Cn2cncc2)=O	5088
+c1cc(ccc1C#N)CCC(CCCCC(OCC)=O)CO	21
+c1cc(ccc1C#N)CCC(CCCCC(OCC)=O)C=Cc2c(O)cccc2	3170
+c1cc(ccc1CCC(N(CCC)Cc2ccc(F)cc2F)=O)OCc3ccccc3C(=O)O	1
+c1cc(ccc1CCC(NC=2NCCCN=2)=O)C(=O)NCC(N)C(O)=O	1388
+c1cc(ccc1Br)CCCNCC(c2cccnc2)O	15
+c1cc(ccc1CCC2NCCc3c2c(cc(c3)OC)OC)F	10942
+c1cc(ccc1CCCO)CCc2nc(NC(=O)C)sc2	95
+c1cc(ccc1CCC(=O)O)OCc2cc(Oc3cc(ccc3)C)ccc2	4
+c1cc(ccc1C#N)CCCO	44
+c1cc(ccc1CCC)-c2nc(-c3cc(I)c(cc3Cl)O)no2	1206
+c1cc(ccc1CCCO)-c2c(F)c(c(cc2)OCC)F	237
+c1ccc2C(=O)N(C(=O)c2c1)CCCc3ccc(cc3)CCc4nc(NC(=O)C)sc4	966
+c1cc(ccc1CCCn2cncn2)[N+]([O-])=O	10943
+c12C(CCCc1ccc(SC)c2)=O	3090
+c1cc(ccc1CCCC=C)C#N	2142
+c1cc(ccc1-c2oc(nn2)-c3ccccc3SCC)CCCCC	1782
+c1cc(ccc1-c2ccc(cc2)CCCCCCCC)[N+](=O)[O-]	134
+c1cc(ccc1CCO)CCCCCCCC	59
+c1cc(ccc1O)CCCCCCCCC(O)=O	5
+c1cc(ccc1CCCCCCCCCCCCCCCCCC)S(=O)(=O)Nc2nncs2	1140
+c1cc(ccc1CCCCN2C(CCC2)CN3C(=O)c4c(C(Cc5ccc(cc5)Cl)=N3)cccc4)O	5
+c1cc(ccc1CC(OC)=O)CCCC=O	24
+c1cc(ccc1OCC2OC(C)(C)OC2)CCCC=O	24
+c1cc(ccc1CCCCn2ccnn2)N	0
+c1cc(ccc1CCCn2c(-c3ccc(cc3)OCc4ccccc4)ccc2C)CCCCC	3476
+c1ccccc1COc2ccc(cc2)OCCCc3ccc(cc3)OCc4ccccc4C(=O)OC	20
+c1cc(ccc1N)CCCc2ccc(cc2)Nc3c(cccc3)C(=O)O	0
+c1cc(ccc1CCCl)-c2nocc2C(O)=O	1
+c1cc(ccc1CCCn2c(C)ccc2-c3ccc(cc3)O)CCCCC	16
+c1cc(ccc1CCCn2ccnc2)OCc3coc(-c4cc(cs4)C)n3	2669
+c1cc(ccc1O)CCCn2ccnn2	16
+c1cc(ccc1N)CCCn2cncn2	0
+c1cc(ccc1)OC(NCCc2ccc(cc2)-n3c4c(c(C)cc(C)n4)nc3CC)=O	101
+c1cc(ccc1CCNC(=O)c2cc(-n3cnnn3)cc(-c4ncccc4OC)c2)F	14
+c1cc(ccc1)-c2c3c(ncnc3oc2-c4ccccc4)NCCc5ccc(cc5)N	10944
+c1cc(ccc1F)OCC(O)CNCCc2ccc(cc2)NS(=O)(=O)c3ccccc3	122
+c1cc(ccc1Nc2ncc(cc2)C(=O)N)CCNCc3ccccc3	42
+c1cc(ccc1CCNc2nccc(n2)-c3cccc(c3)CN(S(=O)(=O)C)Cc4ccncc4)O	96
+c1cc(ccc1CCNCc2ccccc2)O	42
+c1cc(ccc1CCNCC2Cc3c(CC2)cccc3)OC	132
+C1CNCCC12C(N(C(N2CCc3ccc(cc3)OC)=O)CC4CC4)=O	25
+c1cc(ccc1CCN2CCCC(=O)CC2)OC	97
+c1cc(ccc1[N+]([O-])=O)C(O)CN2CCN(CC2)CCc3ccc(cc3)[N+]([O-])=O	74
+c1cc(ccc1CCOC2OCCCC2)CCN	18
+c1cc(ccc1Cl)C2(CCC2)C3=NCCc4c3cc(cc4)OC	1120
+c1cc(ccc1CCNC(C)=O)C(C2C(N(c3cc(ccc23)F)C(=O)C)=O)=O	3071
+c1cc(ccc1NS(=O)(=O)c2ccccc2)CCNC(=O)OCc3ccccc3	69
+c1cc(ccc1CCNC(c2cc(N)c(Oc3ccc(CC(OC)=O)cc3Cl)cc2)=O)Cl	0
+c1cc(ccc1-n2c3c(c(C)cc(C)n3)nc2CC)CCN(C)C(=O)NS(=O)(=O)c4ccc(cc4)C	10945
+c1cc(ccc1CCNCc2ccccc2)Oc3ncc(cc3)C(N)=O	136
+c1ccccc1CCN(CCc2ccc(cc2)Oc3ncc(C(=O)N)cc3)Cc4ccccc4	28
+c1cc(ccc1CCNc2c(c(CC)ncn2)C(OCC)=O)CCO	168
+c1cc(ccc1CCNc2nc(nc(COC)c2)Cl)OC	629
+c1cc(ccc1CCNc2nc(OC)nc(c2)C=O)OC	178
+c1cc(ccc1CCNc2nc(nc(CO)c2)Cl)OC	88
+C1(c2ccccc2C(=O)N1CCc3ccc(cc3)CCO)=O	4924
+c1cc(ccc1CCO)Nc2c(N)c(cc(C)n2)C	13
+c1cc(ccc1CCCCCCCC)CCOC(C)=O	165
+c1cc(ccc1CCOC(C)C(=O)O)-c2ccc(cc2)Cl	3
+c1cc(ccc1C=O)CCO	1262
+c1cc(ccc1CCOc2ccccc2C(=O)O)OCC(=O)N(CC)Cc3ccccc3F	1
+O=S(=O)(Oc1ccc(cc1)OCCc2ccc(cc2)CC(C(O)=O)OCC)C	3
+c1cc(ccc1CCc2c[nH]c(C(O)=O)c2)Cl	6
+c1cc(ccc1CCc2n[nH]c(C(O)=O)c2)OC	6
+c12ccc(cc1C(c3c(ccc(c3)F)CC2)=O)F	358
+c1cc(ccc1C=O)CCc2n3cncc3ccc2	39
+C1CN(CCN1C(=O)C)c2ccc(nc2)CCc3ccc(cc3)CN	18
+c1cc(ccc1CCc2oc3c(c(c(cc3)CCC)O)c2C)OC	732
+c1cc(ccc1CCc2oc3cccc(O)c3c2C)OC	173
+c1cc(ccc1CCc2oc3c(c(c(cc3)CC=C)O)c2C)OC	423
+c1cc(ccc1CN2C=CC=CC2=O)Cc3c(cc(C(OCC)=O)n3CC)C	10946
+c1cc(ccc1OC)COc2c(cc(C=O)cc2)OCc3ccc(cc3)Cl	139
+c1cc(ccc1OCC=C)COCCn2nccn2	555
+c1cc(ccc1CN(C(=O)CCCC)c2ccccc2)-c3ccccc3C(=O)O	1
+c1cc(ccc1)C(N(Cc2ccc(cc2)C(=O)O)S(=O)(=O)c3ccc(cc3)Cl)CC	1
+c1cc(ccc1Cl)-c2c([nH]c(n2)-c3ccc(cc3)CN(C)C)C(OCC)=O	10947
+c1cc(ccc1CN(C)C)CN	524
+c1cc(ccc1CN(C)C)N	0
+c1cc(ccc1CN(CC)C(=O)COc2ccc(cc2)CCSc3ccccc3C(=O)O)Cl	1
+c1cc(ccc1C#Cc2ccc(cc2)OC)CN(c3ccc(c(c3)C(O)=O)O)CCCCCC	10948
+CCCN(CCC)CCCCN(CCC(OC)=O)Cc1ccc(cc1)CN(Cc2n(ccn2)C)Cc3[nH]ccn3	566
+FC(F)(F)c1c(OCC)nc(N)cc1	10949
+c1ccccc1CCCNc2ccc3ncc(-c4ccc(cc4)CN)n3n2	1414
+c1cc(ccc1F)CNC(c2sc(nc2C)-c3ccn(n3)CCc4ccc(cc4)F)=O	454
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5cc(c(cc5cn4)CC(NCc6ccc(cc6)F)=O)[N+](=O)[O-]	9
+c1ccccc1CN(Cc2ccccc2)C(C(=O)NCc3ccc(cc3)F)COC(F)F	9
+c1cc(ccc1CNc2nc(OCCCCN3CCc4c(cccc4)C3)ccc2)OC	70
+c1cc(ccc1OC)CNc2c(cccn2)-c3ncsc3-c4cccnc4Cl	70
+c1ccccc1Nc2nn(cn2)-c3ccnc(NCc4ccc(cc4)OC)c3	70
+c1cc(ccc1CNc2cc(nc(I)n2)Cl)OC	40
+c1cc(ccc1CNC(=O)c2ccc3c(c(cnc3)Br)n2)OC	81
+c1cc(ccc1CNc2ncc(cc2-c3c(scn3)-c4c(c(ccc4)Cl)Cl)Br)OC	70
+c1cc(ccc1N(C)C)CN2C(C(=C(C2=O)Nc3ccc(cc3)OC)c4ccccc4)=O	10950
+c1cc(ccc1CN2C(C(=C(C=O)C=N2)NC)=O)OC	10951
+c1cc(ccc1)CN2C3(Cc4c(C3)cc(cc4)[N+](=O)[O-])C(NC2=O)=O	10952
+c1cc(ccc1OC)CN2C(N(C)C(N)=C(C2=O)N)=O	721
+c1cc(ccc1CN2C(N(CCC)C(C(O)C)=N2)=O)C	118
+c1cc(ccc1CN2C(N(c3nc(c(C(=O)O)s3)C)C=N2)=O)F	6
+c1cc(ccc1CN2N=CN(c3[nH]nc(C(NCc4cc(F)c(cc4)F)=O)c3)C2=O)F	1613
+c1cc(ccc1OC)CN2C=C3CN(C(=O)C3=C(Cl)C2=O)CCc4ccc5ccccc5n4	10953
+c1cc(ccc1CN2C(C(=C(C(CO)=C2)C(=O)OC)Cl)=O)OC	10954
+c1cc(ccc1CN2CCNCC2(C)C)OC	15
+c1cc(ccc1CN2C(C)(C)CN(Cc3ccc(cn3)N)CC2)OC	13
+c1cc(ccc1OC)CN2CCOCC2C	15
+c1cc(ccc1CN2C(=O)C3(N(C2=O)Cc4ccccc4)Cc5c(cc([N+](=O)[O-])cc5)C3)OC	10955
+n1c(O)c2N(C(C(=Cc2cn1)C(OCC)=O)=O)C	10956
+c1cc(ccc1CN2CC(c3ccccc3C2CC(O)=O)=C)C(=O)Nc4ccccc4N	4
+c1cc(ccc1F)CN2C(N(c3sc(c(C)n3)C(N)=O)CC2C)=O	4328
+c1cc(ccc1C(=O)CN2C(=O)N(C(CCC)=CC2=O)Cc3ccc(cc3)-c4c(C#N)cccc4)OC	10957
+C(c1ccc2c(c1)c(ncn2)O)c3nnc4n3nc(-c5cnccc5)cc4	10958
+c1cc(ccc1CN2C(c3c(ccc(Cc4nnc5ccc(-c6cccnc6)nn45)c3)N=C2)=O)OC	2102
+c1cc(ccc1CN2C3CN(Cc4ccc(cc4)C(=O)OC)C(C2)C3)Oc5ccc(cc5)-c6occn6	48
+c1cc(ccc1CN2C=CC=CC2=O)Cc3c(cc(C(=O)O)n3CC)C	6
+c1cc(ccc1CN2C(c3c(C=C2)c(N)ccc3)=O)F	0
+c1ccccc1C(=O)Nc2ccc(cc2)CN3CC=C(CCC(OC)=O)C3=O	50
+c1cc(ccc1CN2CC=C(CCC(OC)=O)C2=O)N	0
+c1cc(cc(C)c1Oc2cnc(C)cc2)Nc3ncnc4c3C=C(CCN4)C(=O)OC	10959
+c1cc(ccc1)C(c2ccccc2)CNCC3CCN(CC3)Cc4ccc(cc4)Cl	110
+C1CC(CCN1Cc2ccc(cc2)C)=O	86
+C1CC(CCN1Cc2ccc(cc2)Oc3cc(c(cc3F)F)F)c4c(ccc(c4)NC(Oc5ccc(cc5)[N+]([O-])=O)=O)C	90
+c1cc(ccc1CN2CCC(CC2)c3[nH]c(-c4cnc(cc4)O)nn3)-c5c(cc6c(ccnc6O)n5)-c7ccccc7	104
+c1cc(ccc1CN2CCc3c(c(OC)cnc3C(=O)O)C2=O)OC	6
+c1cc(ccc1CN2C(N(c3cc(n(n3)Cc4ccc(cc4)OC)C(=O)O)C=N2)=O)F	1
+c1cc(ccc1CN2c3c(C(=O)N(Cc4ccc(cc4)C(=O)O)C2=O)cccc3)C	1
+c1cc(ccc1CN2c3c(cccc3)N(CCCCCCCC(O)=O)C2=O)Cl	4
+c1cc(ccc1CN2C(=O)C=Cc3ncc(cc23)N4CC(C4)=O)OC	86
+c1cc(ccc1OCc2ccc(cc2)CN=[N+]=[N-])Cl	20
+c1cc(ccc1CNC(=O)C)CN2CCN(CC2)c3ncccn3	171
+c1cc(ccc1CN2CCN(CC2)c3ncccn3)CN	524
+c1cc(ccc1CNC(c2cnc3c(cc(cc3c2O)CCCO)OC)=O)Cl	213
+c1cc(ccc1Cl)CNC(c2sc(nc2C)NC(c3ccncc3)=O)=O	548
+c1cc(ccc1Cl)CNCC	15
+C(C)OC(N1CC(N)C=2N(C(=O)C=C(N=2)c3ccncn3)CC1)=O	2260
+C1COC2(O1)CC(C)(C)C(N)CC2	2260
+c1cc(ccc1F)CN(C(Cc2ccc(cc2)OCC)=O)C3CCN(CC3)C	58
+Cc1c2c(cc(c(-c3c(OC)cccc3F)n2)CN)ccc1	2260
+C1CN(CCC1C(=O)c2ccc(cc2)F)CC(=O)N(Cc3ccc(cc3)F)Cc4nc(c5COCCc5n4)O	10
+c1cc(ccc1CNc2c(cnc(Br)c2)N)OC	13
+c1cc(ccc1OC)CNc2cc(ncc2[N+](=O)[O-])Nc3ncc(C#N)nc3	2785
+s1cnc(c1-c2c(c(Cl)ccc2)Cl)-c3cc(cnc3N)-c4cnccc4	755
+c1cc(ccc1CNc2c3c(cc(Cl)cc3)nc4CCCC(O)c24)F	652
+c1cc(ccc1CNc2c(N)cc(c(F)c2)C(=O)OC)OC	0
+c1cc(ccc1CNc2cc(cc(c2)F)CO)OC	41
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3c4c(CCC3)cc(OCc5ccccc5)cc4)C(C)C	429
+CC(C)C1CN(CCN1)c2ccc(N)nn2	755
+c1cc2CCN(Cc2cc1)CCCCOc3cccc(N)n3	755
+Nc1cc2c(ncnc2cn1)Nc3cc(Br)c(Br)cc3	755
+c1cc(ccc1-c2nnc(s2)-c3ccc(cc3)C=O)N4CCC(CC4)(CCCC)OC	39
+c1cc(ccc1C=O)-c2cnco2	39
+c1cc(ccc1CO)CCN2C(=O)C=C(CCc3ccccc3)C=C2	10960
+c1cc(ccc1CO)CCN2C=CC(=CC2=O)OCc3ccccc3	10961
+c1cc(ccc1CO)CCN2C(C=C(O)C=C2)=O	923
+c1cc(ccc1C=O)CNc2ncccc2	39
+c1cc(ccc1Cn2c3nc(NCc4ccncc4)nc(c3nc2)N)CO	96
+c1cc(ccc1NC(=O)c2ccc(Cc3cc(cc4c3oc(C(C)C)c4)Cl)o2)C=O	39
+C1CC(CCC1)N(CC2CC2)c3cc(ncn3)C(=O)Nc4ccc(cc4)C=O	39
+c1cc(ccc1NS(=O)(=O)C)C=O	39
+c1cc(ccc1COCOc2ccc(cc2)Cl)OCCF	433
+O=S(=O)(c1ccc(cc1)C=O)NC	39
+c1cc(ccc1OC)COc2c(c3C(=O)C(=CN(CC)c3cc2OCc4ccc(cc4)OC)C(O)=O)Cl	10962
+c1cc(ccc1COC(=O)N2C(CC(OC(c3ccccc3)=O)C2)C(OCc4ccc(cc4)OC)=O)[N+](=O)[O-]	279
+c1ccccc1C(OC2CN(C(C2)C(=O)O)C(OCc3ccc(cc3)[N+]([O-])=O)=O)=O	2167
+c1cc(ccc1COC(=O)N2CC(O)CC2)[N+]([O-])=O	59
+c1cc(ccc1COC(N2CC(N)CC2)=O)[N+]([O-])=O	18
+c1ccccc1CC(C(C(OCc2ccc(cc2)OC)C)Cc3ccccc3)=O	86
+c1ccccc1COC(NC(C(C)C)C(=O)OC2CCC(CC2)C(OCc3ccc(cc3)OC)=O)=O	27
+c1cc(ccc1COC(CCCCCCCCCCC)CC(=O)O)OC	4
+C(C(=O)O)CC(C(=O)OCC=C)OC(C)=O	2167
+c1cc(ccc1COC(N2CC(CC2C(O)=O)SCc3ccc(cc3)OC)=O)[N+](=O)[O-]	2543
+n1cccnc1NCC2C(F)CN(C(=O)OCc3ccc(cc3)C)CC2	96
+C1(CC(=O)OCC)Cc2c(Cc3ccccc13)cc(OCCCN)cc2	10963
+c1cc(ccc1COc2c(cc(C=O)cc2)C(=O)O)F	10964
+c1cc(ccc1CCO)COC	21
+c1cc(ccc1COC2=CC(N(c3cc(NC)c(N)cc3)C=C2)=O)Cl	0
+c1cc(ccc1COCCOCCOCCN)OC	18
+c1cc(ccc1Cl)C(c2ccccc2-c3c(onc3CO)C)=O	1974
+c1cc(ccc1COCc2c(c(on2)C)-c3c(C(c4ccc(cc4)Cl)=O)cccc3)OC	335
+c1cc(ccc1COCc2noc(C)c2-c3c(C(c4ccc(cc4)Cl)O)cccc3)OC	704
+c1cc(ccc1COc2c(c(O)c(cc2)C(C)=O)CCC)C(O)c3cc(ccc3)C#N	168
+c1cc(ccc1C=CC(=O)O)COc2c(c(O)c(cc2)C(C)=O)CCC	127
+c1cc(ccc1COc2cccc(c2C(C)=O)N)OC	0
+c1(cc(cc(c1)O)Br)Nc2cccnc2	686
+c1cc(ccc1OC)COc2cc(c(cc2)-c3cc(ccc3F)OC)CO	217
+O=S(=O)(c1cc(cc(O)c1)Br)C	686
+c1cc(ccc1COc2ccc3c(c2)c4c(C(CC(=O)O)CC4)[nH]3)-c5csnn5	3
+c1cc(ccc1COc2ccc3c(c2)c4c(C(CC(=O)O)CC4)[nH]3)-c5nccnc5	3
+c1cc(ccc1COc2c(c(ccc2)[N+]([O-])=O)C(C)=O)OC	155
+c1cc(ccc1COc2c(c(ccc2)N)N)OC	0
+c1ccccc1-c2c3c(-c4c(cccc4O)C3=O)nc(N)n2	686
+c1cc(ccc1C(=O)c2ccccc2)CP(O)(O)=O	228
+c1cc(ccc1CP(O)(O)=O)OCC2(CCCCC2)C	228
+c1cc(ccc1O)CS(=O)CCn2nncc2	1691
+c1cc(ccc1F)Cc2cc(c(nc2)C#N)Br	10965
+c1cc(ccc1OC)Cc2ccc(cc2)-c3occn3	2300
+c1cc(ccc1C(O)=O)Cc2[nH]c3ccccc3n2	1
+c1cc(ccc1Cc2c3C(=O)N(CCCOC)C(=O)N(C)c3sc2-c4ccc(cc4)Cl)Cl	21
+c1cc(ccc1Cc2c3c(n(c2C)CC(OCC)=O)cccc3)N	0
+c1cc(ccc1Cc2c([nH]nc2C)OC3OC(C(OC(=O)C)C(OC(=O)C)C3OC(C)=O)CO)OC(C)C	59
+c1cc(ccc1OC(C)C)Cc2c(n[nH]c2OC3OC(C(O)C(O)C3OC(=O)C)CO)C	59
+c1cc(ccc1Cc2c(C)nc(N)nc2NCCCCC)CO	168
+c1cc(ccc1Cc2c(C)nc3c(c(CC(O)=O)ccc3Cl)c2C)Cl	4
+c1cc(ccc1)COc2c(Cc3ccc(cc3)CC)ccc(COC(=O)C)c2	22
+c1cc(ccc1Cc2ccccc2OC3C(C(C(C(CO)O3)OC(C)=O)OC(C)=O)OC(=O)C)C(=O)N	59
+c1cc(ccc1Cc2c(cccc2)O)CC#N	16
+c1cc(ccc1Cc2c(C)n[nH]c2OC3OC(C(O)C(C3OC(=O)C)OC(=O)C)CO)OC(C)C	59
+c1cc(ccc1CCC(=O)OCC)Cc2c(c(c(OC)c(c2C)OC)OC)OC	159
+c1cc(ccc1Cc2c(cc(CCCO)c(Br)c2)Cl)OCC	21
+c1cc(ccc1Cc2c(nc3c(ccc(OCC(O)=O)c3c2OC(F)F)F)CC)-n4cccn4	4
+c1cc(ccc1OCCO)Cc2c(nn3c2nc(cc3C)C)CC	95
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)O	5
+c1cc(ccc1Cc2c3C(N(C(N(C)c3sc2-c4ccc(cc4)Cl)=O)CCCO)=O)Cl	88
+c1cc(ccc1Cc2c3c([nH]c4cnc(c(COC)c34)C=O)ccc2)Cl	178
+c1cc(ccc1CCO)Cc2cc(Br)ccc2Cl	59
+c1cc(ccc1C=O)Cc2cc(ccc2Cl)Br	39
+c1cc(ccc1Cc2cc(Br)ccc2Cl)CO	59
+c1cc(ccc1F)Cc2cc3c(c(c(C(OCC)=O)c(O)n3)O)nc2	10966
+c1cc(ccc1Cc2cc(ccc2Cl)Br)O	5
+c1cc(ccc1F)Cc2ccccc2O	562
+c1cc(ccc1N)Cc2cc3CC(Nc3cc2)=O	0
+c1cc(ccc1Cc2ccc(cc2)OCc3ccccc3)C#N	22
+c1cc(ccc1Cc2ccc(cc2)C#N)O	5
+c1cc(ccc1Cc2ccc(cc2)[N+]([O-])=O)CS(=O)(=O)NCc3ccccc3	111
+O=S(=O)(Cc1ccc(cc1)Cc2ccc(cc2)N)NCc3ccccc3	0
+c1cc(ccc1Cc2ccc(cc2)N)F	0
+c1cc(ccc1Cc2ccc(nc2)C(O)=O)O	5
+c1cc(ccc1Cc2c3c([nH]c4cnc(c(c34)COC)CO)ccc2)Cl	194
+c1cc(ccc1Nc2c(cnc3c2cc(cc3)Cl)C=O)Cc4ccccc4	200
+c1cc(ccc1Cc2ccccc2OC3C(OC(C)=O)C(OC(C)=O)C(O)C(O3)CO)C(=O)N	59
+c1cc(ccc1Cc2ccccc2OC3OC(C(O)C(O)C3OC(=O)C)CO)C(N)=O	59
+c1cc(ccc1Cc2c(OC3OC(C(C(O)C3O)O)CO)cccc2)C(N)=O	59
+c1ccccc1COc2ccccc2Cc3ccc(cc3)C(O)=O	1
+c1cc(ccc1C(N)=O)Cc2c(cccc2)O	16
+c1cc(ccc1Cc2c(cccc2)O)SC	16
+c1cc(ccc1O)Cc2n(C)nc(-c3c(cccc3Cl)F)n2	173
+c1ccccc1-c2nc3nnc(Cc4ccc(cc4)F)n3nc2	10967
+c1cc(ccc1N)Cc2nc(Cl)c(c(Cl)n2)CC(=O)OC	0
+C1CCC(C1)c2cc(ccc2O)C(c3c(sc(C)c3C)Cc4ccc(cc4)Br)=O	5
+c1cc(ccc1Cl)-c2c(ncc(C(=O)NC3CCCCC3O)c2)CCCOC	587
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(N(c4ccc(N)c(c4)Cl)S(=O)(=O)C)cc3o2)C5CC5	0
+c1cc(ccc1-c2c3c(C)c(C)[nH]c3nc(C)c2C(=O)C(=O)OC)Cl	10968
+c1cc(ccc1-c2c(C(O)=O)[nH]cc2C)Cl	6
+c1cc(ccc1)Cn2c(C(OCC)=O)c(-c3ccc(cc3)Cl)c(C)c2	3289
+c1cc(ccc1Cl)-c2c3c(nc(Br)s3)cc(C)c2C(O)C(=O)OCC	10969
+c1cc(ccc1)C=Cc2onc(-c3ccc(cc3)Cl)c2C(OCC)=O	10970
+c1cc(ccc1Cl)S(=O)(=O)C(C#N)=Cc2c([nH]c3ccccc23)-c4ccc(cc4)Cl	10971
+C1CC1c2nn3C(c4ccc(cc4)F)=CC(=O)Nc3c2-c5ccc(cc5)Cl	2950
+OB(O)c1c(ccc(c1)-c2ccc(cc2)Cl)Br	493
+c1cc(ccc1-c2cc(c(C)n2-c3ccc(cc3)Cl)C(=O)O)Cl	6
+c1cc(ccc1-c2cc(c(CC)cc2)N)Cl	0
+c1cc(ccc1Cl)-c2cc(CO)cnc2	295
+c1cc(ccc1-c2cc(C(=O)O)cnc2Cl)Cl	1
+c1cc(ccc1-c2ccc(cc2)CCO)Cl	21
+Clc1ccc2c3c([nH]c2c1)cccc3	1223
+c1cc(ccc1Cl)-c2cncc(c2)COc3ccc(c(c3)C)CCCCn4ccnn4	751
+c1cc(ccc1-c2n(C)cc(c2C)C(=O)O)Cl	6
+c1cc(ccc1-c2ccc(C#N)cn2)Cl	1372
+c1cc(ccc1-c2nc(CO)sn2)Cl	4715
+c1cc(ccc1Cl)-c2oc(-c3ccc(N)c(N)c3)nn2	0
+c1cc(ccc1-c2c3c(cccc3)c(Nc4ccc(cc4)Sc5c6c(ncc5)cccn6)nn2)Cl	1443
+c1cc(ccc1Cl)-c2oc(-c3cscc3)c(CC(O)=O)n2	3
+c1cc(ccc1Cl)-c2oc3c(Cn4c(C)cc(n4)C(O)=O)cc(Cl)cc3c2	6
+c1ccccc1COc2c(cc(N(S(=O)(=O)C)c3c(cc4c(C(NC)=O)c(oc4c3)-c5ccc(cc5)Cl)C6CC6)cc2)F	4974
+c1cc(ccc1-c2c(C#N)c(nc(SCc3coc(n3)-c4ccc(cc4)Cl)c2C#N)N)OCC(CO)O	265
+O=C1C=CC(=O)C1c2cc(-c3ccc(cc3)Cl)sc2CC	10972
+c1cc(ccc1-c2scc(n2)CSc3c(c(c(c(N)n3)C#N)-c4ccccc4)C#N)Cl	2837
+C1CC(CCC1)C(c2n(nc3c2cccc3)-c4ccc(cc4)Cl)CO	647
+c1cc(ccc1Cl)-n2c(C(COc3c(cc(cc3C)C(O)=O)C)C4CCCCC4)c5ccccc5n2	1
+c1cc(ccc1Cl)-n2c(c(nc2CC(O)=O)Br)-c3c(cccc3F)F	4
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(=O)Nc4ccc(cc4F)C(O)=O)C5CCCCC5	6
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(Nc4c(F)cc(cc4)OC5(CC5)C(O)=O)=O)C6CCCCC6	4
+c1cc(ccc1C(C2CC2)=C(F)CO)Cl	4313
+c1cc(ccc1Cl)C(Br)=CC2C(C2(C)C)C(=O)O	3
+c1cc(ccc1-c2oc(nc2-c3ccc(cc3)Cl)CCCCCC(C)C#N)Cl	10973
+c1cc(ccc1Cl)-c2cc(C(OCC)=O)c(C)n2-c3ccc(cc3)Cl	4591
+c1cc(ccc1Cl)-n2c(C)ccc2-c3ccc(cc3)Cl	2387
+c1cc(ccc1Cl)-c2oc(-c3cscc3)c(CC(OCC)=O)n2	10974
+c1cc(ccc1Br)NC(CN)c2ccc(cc2)Cl	51
+c1cc(ccc1Cl)-c2nc3n(cc(cc3)Br)c2	440
+c1cc(ccc1C(c2c3cccc(CSCC)c3[nH]c2)CCO)Cl	44
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(=O)O)=O	108
+c1cc(ccc1Cl)-c2nnc(-c3cc(c(cc3)N)[N+]([O-])=O)o2	1782
+c1cc(ccc1-c2nnc(-c3ccc(c(O)c3)C)o2)Cl	1782
+c1cc(ccc1Cl)C(Nc2ccc(cc2)Cc3c(n(c4ccccc34)CC(=O)O)C)=O	3
+c1cc(ccc1Cl)C(Nc2ccc(cc2)Cn3nc(CC(O)=O)c4ccccc34)=O	3
+c1cc(ccc1)CN2CCC(CC2)OC(c3ccccc3Cl)c4ccc(cc4)Cl	3938
+c1cc(ccc1C(c2ccc(cc2)Cl)c3ccc4nccc(C=Cc5ccccc5)c4c3)Cl	4253
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4c(c(ncn4)NC5CCN(CC5)Cc6cc(ccc6)C(OC)=O)c3	131
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3cc4c(cc3)ncnc4NC5CCNCC5	2
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4c(c(ncn4)NC5CCN(CC5)Cc6cc(ccc6)C(=O)O)c3	1
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4ncnc(NC5CCN(CC5)c6ccc(cc6)CC(=O)O)c4c3	4
+c1cc(ccc1Cl)C2(CC2)C(N3CC(S(=O)(=O)c4ccccc4Cl)CC3C(O)=O)=O	4
+c1cc(ccc1Cl)C2(CC2)C(N3CCC(=O)C3)=O	86
+c1cc(ccc1Cl)C2(CCC2)C=3c4cc(O)ccc4CCN=3	5
+c1cc(ccc1)C2COC(=O)N2C(CSCC3(OCC(C)(C)CO3)c4ccc(cc4)Cl)=O	2912
+c1cc(ccc1Cl)C2(OCC(C)(C)CO2)CSCC(=O)O	3
+c1cc(ccc1Cl)-c2cc(nnc2-c3ccccc3Cl)O	10975
+c1cc(ccc1C2=NC3(CCNCC3)C(=O)Nc4ccc(cc24)Cl)Cl	25
+c1cc(ccc1Cl)C2N(C(=O)C(CC=C)(C)CC2c3cc(Cl)ccc3)C(C=O)CC	24
+c1cc(ccc1Cl)C2CCc3c2cc(C(=O)O)[nH]3	1
+c1ccccc1C2Cc3c(cnc(N)n3)C(C2)=O	992
+c1cc(ccc1Cl)C2=C(C=3N(C=C2)C(=O)N(Cc4ccc(cc4)S(=O)(=O)C)N=3)c5ccncc5	10976
+c1cc(ccc1-c2ccc(O)nn2)Cl	2566
+c1cc(ccc1-c2cc3c([nH]2)cc(C(OC)=O)s3)Cl	10977
+c1cc(ccc1N(CCN2C(=O)c3cc(C(OC)=O)ccc3C=C2)Cc4ccc(cc4)Cl)OC	3043
+c1cc(ccc1CNc2ncc(Br)cc2)Cl	811
+c1cc(ccc1)SC2(CC2)C(C=Cc3ccc(cc3)Cl)=O	964
+c1ccccc1C(c2ccc(cc2)Cl)O	704
+c1cc(ccc1Cl)CNc2c(N)cccc2	608
+c1cc(ccc1CCc2c[nH]c(C(=O)OCC)c2)Cl	1283
+c1cc(ccc1CC2NCCC2)Cl	15
+c1cc(ccc1Cl)CC(Cn2ncnc2)O	1377
+c1cc(ccc1Cc2nc(ccc2)C#N)Cl	1304
+c1cc(ccc1CCCCN2C(CCC2)CN3C(=O)c4c(C(Cc5ccc(cc5)Cl)=N3)cccc4)OC	123
+c1cc(ccc1CCC(C(C)(C)C(C)C)=C)Cl	2114
+c1cc(ccc1Cl)CCCO	21
+c1cc(ccc1Cl)C(NC(CNC(CCc2ccc(cc2)Cl)=O)=O)c3ccccc3	9
+c1cc(ccc1Cl)CCNCCCNC(Nc2ccccc2)=O	132
+c1cc(ccc1CCN(CCc2ccc(cc2)Cl)CCCNC(Nc3ccccc3)=O)Cl	28
+c1cc(ccc1CNC(=O)c2c(O)c3c(nc2)ccc(I)c3)Cl	1556
+c1cc(ccc1Cl)CN2C(C(OC)=NN(C2=O)c3cc(ccc3)N)=O	106
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(sc(CN(C)CC(c4cnccn4)O)c3)N(CC)C=2)=O	822
+n1cccnc1C(O)CN(Cc2cc3C(=O)C(C(NCc4ccc(cc4)Cl)=O)=CN(c3s2)C)C	822
+c1cc(ccc1CN(CC)C(=O)COc2ccc(cc2)CCSc3c(cccc3)C(OC)=O)Cl	10
+c1cc(ccc1Cc2c(C#N)c(-c3cc(NC(=O)C)ncc3)sc2C(=O)O)Cl	6
+c1cc(ccc1Cl)Cc2c(c(-c3ccnc(c3)N)sc2-c4nnc[nH]4)C#N	1670
+c1cc(ccc1Cl)Cc2c3c(n(c2Br)CCCC=O)cccc3	578
+c1cc(ccc1Cl)Cn2c3c(cc2CC(C)(C)C(OC)=O)cc(OCc4ccc5occc5n4)cc3	951
+CC(C)(Cc1n(c2c(c1)cc(OCc3ccc4occc4n3)cc2)Cc5ccc(cc5)Cl)C(O)=O	4
+c1cc(ccc1Cl)N2CCN(CC2)c3c(-c4ccc(cc4)N(C)C)nc(OC)cc3	244
+c1cc(ccc1CC(=O)N2C(CCC2)C(=O)Nc3ccc(cc3)Cl)N4CCOCC4=O	348
+c1cc(ccc1Cl)NC2(CCNCC2)C#N	25
+c1cc(ccc1Cl)NC2c3cc(ccc3N(C(C)=O)C(C)C2)-c4ccc(cc4)C(=O)O	6
+c1cc(ccc1Cl)NS(=O)(=O)c2ccc(OC)c3CC(NC)COc23	1925
+c1cc(ccc1Cl)OC(C(OC)=O)c2ccc(cc2)Oc3ccc(cc3)Cl	2486
+c1cc(ccc1OC(C)C(=O)OC)COc2ccc(cc2)Cl	139
+c1cc(ccc1Cl)Oc2ccc(nn2)Cl	1119
+c1cc(ccc1Cl)Oc2c3c(c(CC(=O)O)c(C)n2)cccc3	136
+C1CCCN1CCOc2ccc(cc2)C#Cc3ncc(cc3)-c4ccc(cc4)Cl	2056
+c1cc(ccc1Oc2ccc(cc2)Cl)C(Oc3ccc(cc3)Cl)C(=O)O	4
+c1cc(ccc1Oc2c(C)[nH]c3c2cc(F)cc3)Cl	3122
+c1cc(ccc1Oc2c([nH]c3ccc(SC)cc23)C)Cl	3122
+c1cc(ccc1OCC(O)=O)Cl	3
+Clc1ccc2occc2c1	4487
+c1cc(ccc1Cl)OCCNC(=O)CCc2c(cccc2)O	5
+c1cc(ccc1Cl)Oc2c3cc(F)ccc3n(CC(O)=O)c2C	3
+c1cc(ccc1Cl)Oc2cccc(CN)c2	107
+c1cc(ccc1Cl)Oc2cc(c(cc2)-c3coc4c3cc(OC)cc4)CCC	10978
+c1cc(ccc1Cl)Oc2cc(c(cc2)-c3c4cc(O)ccc4oc3)CCC	5
+c1cc(ccc1Cl)Oc2cc(CCC)c(C(=O)COc3ccc(cc3)OC)cc2	702
+c1cc(ccc1S(=O)(=O)N(C)C(C(OC)=O)=C)Cl	10979
+c1cc(ccc1S(=O)(=O)NC2C(COC)CCCCC2)Cl	21
+Clc1cc2c(cc1)scc2CC	3148
+c1cc(ccc1Cl)Sc2c(n(CC(OCC)=O)c3cccc(c23)N)C	0
+c1cc(ccc1Sc2cccc3c2NC(C3)=O)Cl	1290
+c1cc(ccc1Cl)Sc2ccc(cc2)CCC(=O)O	4
+c1cc(ccc1Sc2c(N)cccc2)Cl	0
+c1cc(ccc1Cn2c(cc(NCc3ccccc3)c2)C(=O)C)F	3118
+c1cc(ccc1Cn2c(C(=O)C)cc(c2)N)F	13
+c1cc(ccc1CN2N=CN(C2=O)c3cc(n(Cc4ccc(cc4)OC)n3)C(OC)=O)F	1712
+c1cc(ccc1Cn2c(-c3ccc(Cl)c(c3)C)cc(C(=O)O)n2)C	1
+c1cc(ccc1-c2ccccc2-c3[nH]nnn3)Cn4c(nc5cccc(C(=O)O)c45)OCC	6
+c1cc(ccc1Cn2c3cccc(O)c3c4cccc(C)c24)F	2302
+c1cc(ccc1OCc2ccccc2)Cn3c4c(cc3CNC)cccc4	729
+Fc1c(Oc2c3c(n[nH]2)cccc3)cccc1	10980
+c1cc(ccc1Cn2c(SCC)nc3cccc(c23)C(=O)O)-c4ccccc4-c5[nH]nnn5	6
+c1cc(ccc1Cn2c(c(CC(C)CC(=S)N)c3c2ccc(OC)c3)C)Br	199
+c1cc(ccc1Cn2c3ccc(OC)cc3c(CC(CC(=O)O)C)c2C)Br	3
+c1cc(ccc1O)Cn2c3nc(nc(N)c3nc2OC)OCCCC	16
+c1cc(ccc1OCc2ccccc2)Cn3cc(-c4ccccc4)c(c3)CO	295
+C1CN(CCC1)c2c(-c3cn[nH]c3)nc(Nc4ccccn4)s2	1613
+CCOC(c1c2c(c(Cl)nc1)cc[nH]2)=O	10981
+c1cc(ccc1Cn2nnc(n2)-c3cc(ccc3)CO)OC	1146
+c1cc(ccc1Cn2nc(C(O)=O)cc2CCCC)-c3c(C#N)cccc3	6
+c1cc(ccc1Cn2c3c(cccc3)c(Oc4c(F)cccc4)n2)OC	480
+c1ccccc1-c2scc(COc3ccc(cc3)Cn4cc(c(OCC)n4)CCC(O)=O)n2	3
+c1cc(ccc1N)Cn2nc(c3ccccc23)CC(=O)OCC	0
+c1cc(ccc1Cn2nc(Oc3ccc(cc3F)N)c4ccccc24)OC	0
+c1cc(ccc1Cn2nc(-c3cccc(c3)C(O)=O)nn2)OC	1
+c1cc(ccc1Cn2c3c(ccc(C=C)c3)cn2)OC	10982
+c1cc(ccc1F)-c2nc([nH]c2C=O)CCCC	614
+c1cc(ccn1)-c2c(-c3ccc(cc3)F)[nH]cc2	10983
+O=S(=O)(c1ccccc1)Nc2c(Br)cc3c(C(=O)OC)c(-c4ccc(cc4)F)oc3c2	69
+c1cc(ccc1-c2c(c(nc3ccc(cc23)Br)C)C(C)O)F	652
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(-c4cc(ccc4)C(NC(C)(C)C(O)=O)=O)c3)o2	4
+c1cc(ccc1F)-c2nn3c(ccc(OC)c3)c2Cc4cccc(n4)C(=O)OC	10984
+c1cc(ccc1F)-c2c(c(Cl)nc3ccccc23)CO	351
+c1cc(ccc1F)-c2nn3CCN(CCC(=O)O)c3c2C=4C=CC(=O)N(c5c(cccc5)C)N=4	3
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(C(=O)OC)cn3)F	3155
+c1cc(ccc1-c2c(nc3n(ccn3)c2)Cl)F	10985
+c1cc(ccc1-c2c(C=O)c(nc3ccccc23)Cl)F	200
+c1cc(ccc1F)-c2c(c(on2)C)CO	903
+c1cc(ccc1F)-c2noc(C)c2COc3ncc(C(=O)OC)cc3	91
+c1cc(ccc1F)-c2cc(c3c(c2Cl)c(O)ncn3)O	390
+c1cc(ccc1F)-c2oc3cc(c4OC(C)Cc4c3c2C(O)=O)NS(=O)(=O)C	1
+c1cc(ccc1F)-c2c(c3c(o2)ccc(-c4c(C)ccc(C(O)=O)c4)c3)C(=O)NC	1
+C1CCCCC1n2ncc(C(=S)N)c2-c3ccc(cc3)F	4277
+c1cc(ccc1F)-c2c(n(nn2)C)C#Cc3ncc(cc3)C(=O)O	1
+C1CCCCN1c2ccc3c(c2)c(c(c(C)n3)CO)-c4ccc(cc4)F	295
+c1cc(ccc1F)-c2c3c(ncnc3sc2)OCCCOc4cc(ccc4)N	0
+c1cc(ccc1-c2cccn3c2nc(N)n3)F	982
+c1ccccc1CN2C(c3cc(nn3CC2)-c4ccc(cc4)F)=O	10986
+c1cc(ccc1F)-c2cc(CNc3c(N)cnc4cccnc34)on2	13
+c1cc(ccc1-c2nnc(O)c(O)c2)F	390
+c1cc(ccc1-c2c(C(O)=O)ccc(OC)c2)F	1
+c1cc(ccc1-c2cc(nn2-c3cnc(OC)cc3)C(O)=O)F	6
+c1cc(ccc1F)C(=O)C=C(N)C	10987
+c1cc(ccc1F)-c2cc(no2)C(=O)NCCC(O)=O	4
+c1cc(ccc1F)-c2cc(no2)C(NCCCC(=O)O)=O	4
+c1cc(ccc1F)-c2cc(on2)CNc3c4ccccc4nc(Cl)c3N	13
+c1cc(ccc1F)-c2ccc(COc3cc(c(cc3)CCCCn4nncc4)C)c(C)n2	751
+c1cc(ccc1F)-c2ccc(cc2)C(N(C)C3CCc4c(ccc(CN)c4)C3)=O	107
+c1cc(ccc1F)-c2csc3ncnc(CCCCOc4cc(C(OC)=O)cnc4)c23	1286
+c1cc(ccc1F)-c2n3ccc(C=O)cc3cc2C(OCC)=O	39
+c1cc(ccc1F)-c2nc(c(o2)CC(C)C)CC(O)=O	3
+c1cc(ccc1F)-c2nc(C)c(cc2)CO	351
+c1cc(ccc1F)-c2cn3c(sc(C(O)=O)c3C)n2	6
+c1cc(ccc1F)-c2nc3ncccn3c2C(Nc4ccc(cc4)Cl)=O	466
+c1cc(ccc1-c2nc3n(cc(cc3)Br)c2C(=O)O)F	6
+c1ccccc1C#Cc2ccc3c(c(-c4ccc(cc4)F)nn3C5OCCCC5)c2	455
+c1cc(ccc1F)-c2c(c3N(CCn3n2)CCCO)C=4C=CC(=O)N(c5c(cccc5)C)N=4	21
+c1cc(ccc1F)-c2c(Cc3cccc(C(O)=O)n3)c4n(n2)cc(cc4)OC	1
+c1cc(ccc1F)-c2cc(c(O)nn2)OC	104
+c1cc(ccc1F)-c2c(n(nn2)C)C#Cc3ncc(C(OC)=O)cc3	943
+c1cc(ccc1F)-c2noc(C)c2COc3ccc(cn3)C(=O)O	1
+c1cc(ccc1)C=Cc2c(COc3ccc(C(=O)OC)cn3)c(no2)-c4ccc(cc4)F	91
+c1cc(ccc1F)-c2oc3c(c2C(OC)=O)c4CC(C)Oc4c(c3)N	0
+c1cc(ccc1F)-c2c(C(=O)OC)c3cc(Br)c(N)cc3o2	0
+c1cc(ccc1F)-c2oc3ccc(cc3c2C(NC)=O)-c4cccc(-c5nn(nn5)Cc6ccccc6)c4	4764
+c1cc(ccc1F)-c2ncc(C3(CCCc4cnccc34)O)s2	5089
+c1cc(ccc1F)-n2c(ncn2)-c3ccc(cc3)N	0
+c1cc(ccc1F)-n2c(-c3cn(-c4ncc(C(O)=O)cc4)cn3)c(nn2)C	1
+c1cc(ccc1-n2c(SCc3c(ccc(F)c3F)F)ncc2C=O)F	5090
+c1cc(ccc1F)-n2c(ncc2C(C)(C)c3cc(c(cc3)Cl)OC)CCc4c(cc(cc4Cl)C(=O)O)F	6
+c1cc(ccc1-n2c(C=O)c(c(n2)C(OC)=O)C(C)C)F	178
+c1cc(ccc1F)-n2c(COc3cnc(C(=O)O)cn3)c(C)nn2	1
+c1cc(ccc1F)-n2ncc(C(=O)c3cccc(c3)N)c2N	0
+c1cc(ccc1F)-n2nnc(C)c2COc3ncc(cc3)C(=O)OC	91
+c1cc(ccc1F)-n2c(COc3cnc(C(=O)OC)cn3)c(C)nn2	799
+c1cc(ccc1F)-n2ccc3c2ccc(O)c3	16
+c1ccccc1COC(=O)N2CCC(CC2C(=O)N)C(CC)NC(=O)c3c4cnn(c4cnc3)-c5ccc(cc5)F	56
+c1cc(ccc1F)-n2ncc(C(O)=O)c2N	6
+c1cc(ccc1F)-n2c3cncc(C(=O)O)c3cn2	6
+c1cc(ccc1F)-n2ncc3cc(C(C)(C)C(C)(C)C(=O)O)ccc23	4
+c1cc(ccc1)C(c2cc3c(n(-c4ccc(cc4)F)nc3)cc2)C(C)(C)C(O)=O	4
+c1cc(ccc1)C(Oc2c(cc3n(-c4ccc(cc4)F)ncc3c2)C)C(C)N	669
+c1cc(ccc1F)-n2ncc3cc(c(C)cc23)OC(C(C)NC(CO)=O)c4cccc(OC)c4	948
+c1cc(ccc1F)-n2ncc3cc(Oc4ccc(N)cn4)ccc23	13
+c1cc(ccc1F)-n2c(c(nn2)C)CO	1125
+c1cc(ccc1F)-n2nnc(C)c2COc3ccc(cn3)C(=O)O	1
+c1cc(ccc1OC)CN2N=C(CO)C=C(c3ccc(cc3)F)C2=O	10988
+c1cc(ccc1-c2ncc(cc2)C(=O)N)F	140
+c1cc(ccc1C=2C=NN(Cc3ccccc3)C(=O)C=2)F	10989
+c1cc(ccc1F)-c2nc3c(nc(N)nc3cc2)O	691
+c1cc(ccc1-c2n3nc(ccc3nc2-c4cc(c(cc4)C)[N+]([O-])=O)OC)F	1414
+n1cc(cnc1C(NC2CN(c3nccn4cccc34)CC2)=O)-c5ccc(cc5)F	537
+n1cc(cnc1Cl)-c2ccc(cc2)F	537
+c1cc(ccc1F)-c2c3c(ncc(C(=O)N)c3)cnc2	1151
+c1cc(ccc1-c2n(cnc2-c3nccc(C#N)c3)CCc4c(Cl)cccc4)F	1234
+c1ccccc1COc2nn3CCN(c4ccc(cc4)F)C(c3c2)=O	1464
+c1cc(ccc1F)-n2c3c(cc2)cc(cc3)OCc4ccccc4	3371
+c1cc(ccc1C#Cc2cc3c(N=C(c4cc(ccc4)-n5ccnc5)CC(=O)N3)cc2)F	1222
+C1CC(CCN1C)C(O)c2ccc(cc2)F	74
+c1cc(ccc1F)C(C2CCN(CC2)CC(=O)NCc3nc(c4COCCc4n3)O)=O	9
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(=O)N(C(CC)C)Cc3nc4c(c(O)n3)COCC4	10
+c1cc(ccc1F)C(=O)C2CCN(CC2)CCCCN3C(=O)c4ccc(N)cc4NC3=O	0
+c1ccccc1S(=O)(=O)N2CCC(CC2)C(c3ccc(cc3)F)=O	92
+c1cc(ccc1F)Nc2nc(-c3ccc(cc3)F)cs2	354
+c1cc(ccc1F)-c2cc(nn2-c3ccc(nc3)OC)C(OCC)=O	10990
+c1cc(ccc1F)C(=O)N(Cc2c(OCCCCCC(=O)O)cccc2)C(C)C	3
+c1cc(ccc1C(N2CCCC(C2)c3nc(-c4ncc(cc4)F)on3)=O)F	10991
+c1cc(ccc1)Cc2nc(C3CN(CCC3)C(=O)c4ccc(cc4)F)no2	4097
+c1cc(ccc1C(c2c(nccc2)C(=O)OC)=O)-n3ccnc3	431
+CC(C)(c1ccc(cc1)F)CN	51
+c1cc(ccc1F)C(C)(C)CCC=O	378
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(O)=O	3
+c1cc(ccc1C(CNC)O)F	25
+c1cc(ccc1F)C(N2CCN(CC2)C(C)C)CN3CCN(CC3)CCCc4c(cccc4)-c5ccccc5	15
+c1cc(ccc1F)C(CN2CCN(CC2)C(CCc3c(-c4ccccc4)cccc3)=O)N5CCN(CC5)C(C)C	10
+C1CN(CCN1C(C)C)C(c2ccc(cc2)F)CN3CCN(CC3)CC=Cc4c(cccc4)-c5ccccc5	1863
+c1cc(ccc1F)C(CN2CCNCC2)N3CCN(CC3)C(C)C	215
+c1cc(ccc1F)C(=O)NC2CCNCC2	25
+c1cc(ccc1C(Nc2nc(c(F)cc2CN)Nc3[nH]nc(c3)C4CC4)C)F	388
+c1cc(ccc1C(C)Nc2c(cc(c(n2)Nc3cc([nH]n3)C)F)N)F	13
+c1cc(ccc1C(Cc2c(ccc(-c3sccc3)c2)OC)=O)F	155
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCN(CC3)Cc4ccccc4	5059
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(C(=O)O)C#N	108
+c1cc(ccc1C(c2ccc(cc2)F)=C(n3cnnn3)C(=O)O)F	108
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(n3nnnc3)C=CC(O)CC(O)CC(=O)OCC	770
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCNCC3	25
+c1cc(ccc1C(c2ccc(cc2)F)CC(OCC)=O)F	5053
+c1cc(ccc1F)C(c2ccc(cc2)F)CCN(CCc3ncccn3)Cc4ccccc4	61
+c1cc(ccc1C(c2ccc(cc2)F)CCNCCc3ncccn3)F	25
+c1cc(ccc1F)C(c2ccc(cc2)F)CC=O	24
+c1cc(ccc1F)C(O)c2ccc(cc2Cl)Cl	488
+C1CC(CCC1(c2ccc(cc2)F)CO)=O	21
+c1cc(ccc1F)C2(CCCCC2)CCC(=O)O	3
+c1cc(ccc1F)C2(c3ccc(cc3)F)C(N(CC2)CC(O)=O)=O	3
+c1cc(ccc1C2CC(NC(C)=C2C(O)=O)=O)F	127
+c1cc(ccc1C2c3nc(Nc4cc(c(-n5cc(nc5)Cl)cc4)OC)sc3CC(=O)C2)F	97
+c1cc(ccc1F)C2CCC(C#N)N2S(=O)(=O)c3ccc(cc3)C	143
+C1CC(CCC1c2ccc(cc2)F)=O	97
+c1cc(ccc1C2c3c(CC2)c(N4CC(F)(F)C4)nc(Nc5ccc(-n6cnc(Cl)n6)c(OC)c5)n3)F	55
+C1CC2(CCN1)CN(C(=O)c3cc(Cl)ncc3)CC2c4ccc(cc4)F	25
+c1cc(ccc1F)COc2ccc(cc2)O	22
+c1cc(ccc1CC2CCCN(c3sc(C(NCc4ccccc4)=O)c(C)n3)C2=O)F	1554
+c1cc(ccc1Cc2ccco2)F	2233
+c1cc(ccc1Cn2c3cc(Br)ncc3cc2-c4cnn(c4)C)F	190
+c1cc(ccc1CNCc2nc(c3c(CCOC3)n2)O)F	370
+c1cc(ccc1F)CC(C(O)=O)c2cc(ccc2)S(=O)(=O)C	4
+c1cc(ccc1CC(C)(C)C(=O)O)F	3
+c1ccccc1C(c2ccccc2)(C(=O)N)CCC(C)(C)N(C)CCc3ccc(cc3)F	28
+c12cc(ccc1CCCC2=O)F	214
+c1cc(ccc1F)CCN2CC(CN)C(C)CC2	18
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4ccc(cc34)C(c5ccccn5)O	3059
+c1cc(ccc1F)CCN2CCC(CC2)N3c4cc(C#N)ccc4CC3	1308
+c1cc(ccc1F)CCN2CCC(CC2)N3c4c(CC3)ccc(Cc5ccccn5)c4	3156
+c1cc(ccc1F)CCN2CCC(CC2)n3c4cc(C#N)ccc4cc3	5091
+c1cc(ccc1F)CCN2CCC(CC2)N3c4c(ccc(C(O)C)c4)CC3	74
+c1cc(ccc1F)CCc2ccc(C(O)=O)cc2C(OC)=O	1
+c1cc(ccc1F)CCc2ccc(cc2C(OC)=O)CO	49
+c1cc(ccc1F)CCn2nc(cc2)-c3sc(c(C)n3)C(O)=O	6
+c1cc(ccc1CN(C(=O)CC(=O)C(=O)O)OC)F	10992
+c12cc(ccc1cncc2)F	10993
+c1c2c(ccc1)CC(C2)NC(=O)c3sc(N4CCN(Cc5ccc(cc5)F)C4=O)cc3C	227
+c1cc(ccc1F)CN2C(N(CC2)c3nc(c(s3)C(O)=O)C)=O	6
+c1cc(ccc1F)CN2C(N(c3sc(c(C)n3)C(O)=O)CC2C)=O	6
+C1C2COCC(CN1)N2Cc3ccc(cc3)F	25
+c1cc(ccc1F)CN2CC(N(C(=O)COc3ccc(Cl)cc3C(O)CCC(O)=O)CC2C)C	74
+c1cc(ccc1F)CN2CC(C)N(CC2C)C(COc3c(cc(cc3)Cl)C(CCC(O)=O)=O)=O	3
+c1cc(ccc1F)CN2CC(N(CC2C)C(COc3c(cc(Cl)cc3)CC(O)=O)=O)C	3
+C1CC(CCN1Cc2ccc(cc2)F)CCN	45
+c1cc(ccc1F)CN2CCC(CC2)CCN3C(c4ccccc4C3=O)=O	332
+c1cc(ccc1F)CN2C(=O)N(CC2)c3cc(c(C(=O)O)s3)C	6
+c1ccccc1COc2c(ncc(c2O)C(NCc3ccc(cc3)F)=O)C=O	178
+c1cc(ccc1F)CNC(=O)C2=C(C(N(C)C(=N2)C(C)(C)N)=O)O	102
+c1cc(ccc1F)COc2cc(O)ncc2	3045
+c1cc(ccc1F)COCC2COCc3nc4c(c5ccccc5nc4N)n23	445
+c1cc(ccc1F)COc2c(C=3CCCCC=3c4cccc(C(O)=O)n4)cc(Cl)cc2	6
+c1cc(ccc1F)COc2cc(F)c(N)cc2	0
+c1cc(ccc1Cc2cnc(C#N)c(Nc3ccc(cc3)F)c2)F	1674
+c1cc(ccc1F)Cc2noc(C=3N=C(N(C)C(C=3O)=O)C4CCCC4)n2	3849
+c1cc(ccc1F)Cn2c3c(c4ccccc24)CC5CNC(=O)N5C3	10994
+c1cc(ccc1)CN2CC(N3CCC(CC3)Nc4n(c5c(cccc5)n4)Cc6ccc(cc6)F)CCC2	85
+c1cc(ccc1F)N2C(c3c(N=C2CN)cccc3)=O	102
+c1cc(ccc1F)N2C(N(C=C(C(=O)Nc3ccc(cc3)Oc4ccnc5cc(OC)cc(c45)OC)C2=O)CC)=O	10995
+c1cc(ccc1N2CC(C)(C)NCC2)F	25
+C1CN(CCN1c2ccc(cc2)F)c3c(-c4ccc(cc4)N(C)C)nc(OC)cc3	244
+c1cc(ccc1F)N2CCN(CC2)C(=O)Oc3ccc(cc3)[N+]([O-])=O	66
+c1cc(ccc1F)NC(Nc2ccc(cc2)Oc3cc(ncc3)C(=O)NCC4CC4)=O	124
+c1cc(ccc1F)NC(=O)Nc2ccc(cc2)Oc3ncnc4[nH]c(C(=O)OCC)cc34	124
+c1cc(ccc1F)NC(=O)Nc2c(cccc2)N	124
+c1cc(ccc1F)NC(=O)Nc2ccc(cc2)Oc3ncnc4c3cc(CO)[nH]4	194
+c1cc(ccc1F)NC(=O)Nc2ccc(cc2)Oc3ncnc4[nH]c(cc34)C=O	178
+c1cc(ccc1F)NC(c2c(Cl)cccc2N)=O	0
+c1cc(ccc1)CCOC(=O)COc2ccc(C(=O)Nc3ccc(cc3)F)cn2	10996
+c1cc(cc2C(=O)C(=O)Nc12)F	1418
+c1cc(ccc1F)NC(=O)CCN2CCNCC2	25
+c1c(cc2c3C(NCCc3[nH]c2c1)=O)F	10997
+c1cc(ccc1F)-n2c3c(cn2)C4CC3CN(Cc5ccccc5)C4	10998
+c1cc(ccc1F)Nc2ncnc3cc(OC)c(O)cc23	173
+c12[nH]c3c(c1ccc(F)c2)cc(F)cc3	10999
+c1cc(ccc1CC(Oc2ccc(cc2)F)C(O)=O)OCCON=C(c3ccc(cc3)-c4ccc(cc4)F)C	3
+c1cc(ccc1O)CC(Oc2ccc(cc2)F)C(OCC)=O	16
+c1cc(ccc1F)OC(NC(C(C)C)C(=O)NC(COc2ccc(cc2)C#N)C)=O	9
+c1cc(ccc1F)OCC=O	571
+c1cc(ccc1OCCC(CCC=C)C(=O)OCC)F	2283
+c1cc(ccc1F)Oc2c(Nc3ccc(C#N)cn3)ncc(Sc4ncccn4)c2	346
+c1cc(ccc1F)Oc2ccc(cc2)CCNc3ncc(c(O)n3)Cc4cnc(nc4)OC	785
+c1cc(ccc1F)Oc2c(N)c(ccc2)C(=O)O	1
+c1cc(ccc1F)S(=O)(=O)N(C(C)C)CC(=O)O	4
+c1cc(ccc1F)S(=O)(=O)N2CCCc3cc(c(cc23)N)C	0
+O=S(=O)(N1C(C(O)=O)CN(CC1)C)c2ccc(cc2)F	3
+c1cc(ccc1F)S(=O)(=O)c2c(Cn3c4c(c(c3C)CC(O)=O)ccc(F)c4)cccc2	3
+c1cc(ccc1F)Sc2c(C=O)c(ccc2)F	39
+c1cc(ccc1F)Sc2cccc(F)c2CO	611
+c1cc(ccc1[N+]([O-])=O)Oc2ccc(cc2)-c3occn3	46
+c1cc(ccc1[N+]([O-])=O)N2CC3CCC(COc4ccc(cc4)F)CN3CC2	34
+c1cc(ccc1)-c2c(c(on2)C)-c3cn(c(COCc4ccccc4)n3)-c5ccc(cc5)[N+](=O)[O-]	431
+c1cc(ccc1I)-n2cnc(c2)CN	18
+c1cc(ccc1Br)C#Cc2ccccc2	129
+c1cc(ccc1I)-c2noc(C)n2	4203
+c1cc(ccc1-c2oc(nn2)-c3cccc(OC)c3)I	1782
+c1cc(ccc1Cl)C#Cc2ccc(c(C#N)n2)N	129
+c1cc(ccc1Cl)N2CCc3n(-c4c2cccc4F)c(nn3)C	2335
+c1cc(ccc1I)N2C=CC=CC2=O	3044
+c1cc(ccc1I)-n2cnc(CO)c2	1444
+c1cc(ccc1-n2cc(CO)nc2)N3C=CC=CC3=O	1444
+c1ccccc1S(=NC(=O)c2cnc(N)c(C#Cc3ccc(cc3)O)c2)(C)=O	129
+c1cc(ccc1I)OCc2c(oc(C(=O)OC)c2)C	20
+c1cc(ccc1I)OCc2c(oc(c2)C(=O)O)C	1
+c1cc(ccc1N(C(CNc2ccc(cc2N)F)=O)C(C)C)OC	0
+C1CN(CCC1CN(C(CC)=O)c2ccc(cc2)Cl)CCc3ccccc3	28
+c1cc(ccc1N(CC2c3ccccc3CCC2)C)OC	15
+c1cc(ccc1N(C)C)-c2ccc(C(=O)Nc3cc(CC(O)=O)ccc3)o2	3
+c1cc(ccc1N(CCO)C)-c2sc3c(cccc3)n2	11000
+c1cc(ccc1N(C)CCOC)C(=O)O	6
+c1cc(ccc1N(C)c2c3c(nc(C)n2)cccc3)OCC(=O)O	4
+c1cc(ccc1N(CC(Nc2ccc(cc2)Cl)=N)C)F	4303
+c1ccc2C(=O)N(C(=O)c2c1)CCN(c3ccc(cc3)Nc4ncnc(c4)-c5cc(ccc5)-c6ccccc6)CC	851
+c1cc(ccc1N(C)CC2c3ccccc3CCC2)O	5
+c1cc(ccc1N(CCCC)CCCC)C=Cc2ccc(cc2)C=C	443
+c1cc(ccc1N(C(C2c3ccc(cc3CCC2)O)=O)Cc4ccc(cc4)N(C)C)C(C)C	16
+c1cc(ccc1NC(Nc2ccc(cc2)-c3c(c(sn3)NC(=O)NCCCN4CCCC4)C(N)=O)=O)C	124
+c1cc(ccc1-c2cc(C)ncc2)NC(C(c3ccc(cc3)[N+]([O-])=O)C)=O	26
+CC(C)n1c2ncnc(Cl)c2c(c1)-c3ccc(cc3)NS(=O)(=O)c4ccccc4	69
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)-c3nc(c(cn3)OC)N4CCOCC4	90
+c1cc(ccc1-c2nc3[nH]ncc3c(n2)OC4CCC(CC4)O)N	1002
+c1ccccc1C(=O)Nc2ccc(cc2)-c3occ(-c4cc(Cl)ccc4)n3	50
+c1cc(ccc1Nc2c3nccn3c(cn2)Br)-n4ccnc4	1638
+c1cc(ccc1Nc2c3ccc(C)c(Nc4c(cccn4)-c5c6cn[nH]c6ncn5)c3ccn2)C#N	201
+C1CCCC1CC(C(=O)O)c2ccc(cc2)NC(c3ccccc3)=O	50
+c1cc(ccc1C2SCCNC2)N	15
+c1cc(ccc1NC(=O)c2cc3c(cc2)cccc3)CN4c5c(c(ccc5OC)CC6C(=O)NC(=O)S6)CCC4=O	67
+c1cc(ccc1Cc2cc3CC(Nc3cc2)=O)NC(=O)c4n(nc(c4)C)CC	187
+c1cc(ccc1NC(c2ccccc2)=O)Cc3cn(C)c4ccc(C(=O)OC)cc34	50
+C1CCCN1c2c(c(nc(Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)n2)C)CC(OC)=O	67
+n1c(Cl)c(c(nc1Cc2ccc(cc2)NC(c3cc4c(cc3)cccc4)=O)Cl)CC(OC)=O	67
+c1cc(ccc1NCCCOc2ccc(cc2)C=C(C)C(OC)=O)Cl	1350
+c1cc(ccc1Nc2c(OC)cc3C45CCCCC4C(Cc3c2)N(CC5)C(OCc6ccccc6)=O)Cl	1215
+c1cc(ccc1)Oc2c(cc(cc2)C(=O)c3ncc(Nc4ccc(cc4)Cl)cc3)C(OC)=O	1674
+c1cc(ccc1NC(c2cccnc2SCc3ccncc3)=O)Cl	246
+c1nc(ncc1C(=O)OCC)Nc2ccc(cc2)Cl	55
+c1cc(ccc1Nc2c(N)c(ncn2)Cl)Cl	73
+c1cc(ccc1F)NC(=O)c2ccc(nc2)Cl	971
+c1cc(ccc1F)Nc2nc(Nc3cc(c(cc3)F)Cl)ccn2	55
+c1cc(ccc1N=Cc2cccc(-c3ccccc3)c2O)I	457
+c1nc(ncc1)Nc2ccc(cc2)I	55
+c1cc(ccc1N(C(=O)C)C)Nc2nc(c3c([nH]cc3)n2)NCCCCCN	55
+c1cc(ccc1C(Nc2ccc(cc2)N3C4C(CC3)N(C)CC4)=O)OCCCC	67
+Nc1ccc2nc3c(c(c2c1)O)cc(cc3)[N+]([O-])=O	11001
+c1cc(ccc1OCC)NCCNCc2ccccc2	1350
+c1cc(ccc1Nc2c(c(Cl)nc3ccnn23)CCCO)OCC	11002
+c1cc(ccc1)N2N(C(=C(C2=O)C(Nc3ccc(cc3)Oc4c5c(cc(OCC(O)C)cc5)ncc4)=O)C)C	1349
+c1cc(ccc1NC(C=2C(=O)N(c3ccccc3)N(C=2C)C)=O)Oc4cc(ncc4)N	1349
+c1cc(ccc1Nc2ccc(cc2)S)[N+](=O)[O-]	1370
+c1cc(ccc1Sc2nc(ncc2)Cl)N	1124
+n1cc(cnc1Sc2ccc(cc2)N)Br	11003
+c1cc(ccc1N)Sc2ccnc3cccnc23	11004
+c1cc(ccc1N2CCC(CO)C2=O)Cl	4756
+c1cc(ccc1N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl)N	0
+c1cc(ccc1NC(c2ccc(cc2)N3C(=O)CCc4ccccc34)=O)OC	50
+C1=CN(c2cccc(c2)F)C(=O)n3cc(nc13)CCl	11005
+c1cc(ccc1)COc2ccc(cc2)C3C(CCC(=O)c4ccc(cc4)F)C(=O)N3c5ccc(cc5)F	832
+c1cc(ccc1N2C(C(=O)O)=CNC2=S)F	108
+c1cc(ccc1N2C(C)c3c(N(C2=O)c4cccc(C#N)c4)nc(Nc5cc(CCO)ccc5)nc3)OC	59
+c1cc(ccc1-n2c(cc3c(c(OC)cc4ncnc2c34)OC)CI)Cl	11006
+c1cc(ccc1N2CC(CN)OC2=O)I	18
+c1cc(ccc1CC(O)=O)N2C(=O)N(CC(Nc3cc(c(cc3OC)OC)Cl)=O)c4c(C2=O)cccc4	3
+c1cc(ccc1O)CC2c3c(cc(O)cc3)CCN2c4ccc(cc4)NC(=O)C	5
+c1cc(ccc1)N2C(C=3C(c4ccc(cc4)Cl)=NCc5onc(C)c5C=3C=C2)=O	11007
+c1cc(ccc1N2CC(CC2=O)COC)C	21
+c1cnccc1C(N2C(CN(CC2C)c3ccc(cc3)OCCCN4CCCCC4)C)=O	30
+c1cc(ccc1F)N2CC(CO)CC2=O	44
+c1cc(ccc1N2CC(CO)CC2=O)C	88
+C1CN(CCC1(OC)Cc2c(F)cccc2)c3ccc(cc3)C#N	274
+c1cc(ccc1Br)N2CCC(CC2)O	100
+c1cc(ccc1Cl)N2CCC(CC2)C=O	378
+c1cc(ccc1N2CC(CC2)N=C(N)N)[N+]([O-])=O	4967
+C1CC(CCN1c2ccc(cc2)NS(=O)(=O)c3ccc(cc3)NC(C)=O)=O	97
+c1cc(ccc1N2CCCN(C2=O)C)N	0
+c1cc(ccc1-c2nc(c3c(cc(OC)cc3OC)n2)O)N4CCNC(C)C4	526
+C1CN(CCN1CCCCc2c3c([nH]c2)cccc3)c4ccc(cc4)OC	15
+c1cc(ccc1N2CCN(CC2)c3nc(-c4ccccc4)c(s3)C(=O)OCC)OC	11008
+C1CN(CCN1c2ccc(cc2)N)C(O)C	0
+C1CN(CCN1c2ccc(cc2)N)C(OCCN(C)C)=O	0
+C1CN(CCN1c2ccc(cc2)N)C(OCc3ccccc3)=O	0
+c1cc(ccc1CC(C(O)=O)C)N2CCN(CC2)C	3
+c1cc(ccc1N=C=S)N2CCN(CC2)C	1034
+c1cc(ccc1N2CCN(CC2)C)Nc3nc(ccn3)Nc4ccc(c(C#N)c4)F	55
+c1cc(ccc1N2CCN(CC2)CC(=C)C)N	0
+c1cc(ccc1N2CCN(CC2)c3nc(-c4ccccc4)c(s3)C#N)OC	1812
+c1cc(ccc1[N+]([O-])=O)OC(=O)N2CCN(CC2)c3ccc(cc3)[N+]([O-])=O	66
+c1cc(ccc1N2CCOC2=O)-c3ccc(CCC(=O)O)n3-c4c(C)cc(C(N)=O)cc4	3
+c1cc(ccc1N2CCOCC2)-c3c(C4C(C(O)=O)CC(CC4)F)nc(s3)C	4
+C1COCCN1c2ccc(cc2)CN	107
+C1COCCN1c2ccc(cc2)Nc3nccc(Sc4ccc(cc4)NC(C=C)=O)n3	55
+C1COCCN1c2ccc(cc2)Nc3nc(O)c4c(c(-c5cc(ccc5)[N+]([O-])=O)ncc4)n3	744
+c1cc(ccc1N2CCOCC2)NC(c3ccc(cc3)-c4nc(sc4)C(O)=O)=O	6
+c1cc(ccc1N2CCOCC2=O)CC(O)=O	3
+c1cc(ccc1N2C(c3ccc(cc3CC2)OC)Cc4ccc(cc4)O)NC(=O)C	16
+c1cc(ccc1OCC2=C(C(=O)N(c3ccc(cc3)F)N2C)C4CC4)F	11009
+c1cc(ccc1N2c3c(cccc3)CCC2=O)C(=O)O	1
+c1ccccc1C(C=C)c2c(OCCC)c(cc(Br)c2)NC(=O)Nc3ccc(cc3)C	124
+c1cc(ccc1NC(=O)Nc2c(cccc2)N)Cl	124
+c1cc(ccc1Cl)NC(Nc2c(OCc3c(Cl)cccc3)cccn2)=S	11010
+c1cc(ccc1NC(=O)C)C(CC(=O)OCC)O	2261
+CN(C)C(CC)C(c1ccc(cc1)NC(=O)C)n2ccnc2	4309
+c1cc(ccc1NC(=O)C)C=CC(=O)OCC	11011
+c1cc(ccc1CCC(OCC)=O)NC(=O)C	159
+c1cc(ccc1NC(=O)C)Cc2[nH]c3N(C(NC(c3n2)=O)=O)CCCC	4722
+c1cc(ccc1CCCCO)NC(=O)C	59
+c1cc(ccc1)N(c2ccccc2)c3ccc(cc3)C=Cc4ccc(cc4)C=Cc5ccc(cc5)NC(C)=O	914
+c1cc(ccc1N2C(=O)NCC2)N	106
+c1cc(ccc1N)S(=O)(=O)Nc2cc(Cl)nc(n2)NCC	106
+c1cc(ccc1Sc2c(cc(C)cc2)N)NC(=O)C	0
+c1cc(ccc1N)Sc2n3c(nccc3)nc2	106
+c1cc(ccc1)OC(NC2CC(CN(C2)C(=O)c3cccc(-c4occc4)c3)C(Nc5ccc(cc5)Cl)=O)=O	101
+O=S(=O)(c1ccc(cc1)NCC2CCCC2)C	15
+c1ccccc1CN2CCN(C(=O)c3cccc(-c4occc4)c3)CC2C(=O)Nc5ccc(cc5)Cl	11012
+c1cc(ccc1NC(=O)C2CN(C(=O)c3cc(-c4occc4)ccc3)CCN2)Cl	679
+c1cc(ccc1C)NCCc2cnc(Cl)cc2	15
+c1cc(ccc1NC(=O)NC2(C(=O)N(CC=O)c3ccccc23)CC(Nc4ccc(cc4)C)=O)C	598
+c1cc(ccc1[N+]([O-])=O)N2C(NCCC2)=O	4102
+c1cc(ccc1-c2cc(n3nccc3n2)NCc4c(cc(cc4)Cl)Cl)N5CCNC5=O	1760
+c1cc(ccc1Cl)NC(Nc2c(cccc2)NS(=O)(=O)c3ccccc3)=O	69
+c1ccccc1NC(=O)Nc2ccc(cc2)-c3c(c(cc4ccc(Cl)cc34)CC(=O)O)C	4
+c1cc(ccc1NC(c2n[nH]cc2N)=O)F	209
+c1cc(ccc1Cn2nc(c3cccnc23)CC(O)=O)NC(=O)c4cc5c(cc4)cccc5	4
+c1cc(ccc1NC(=O)c2ccc3c(n(nc3CC)C4CCCC4)c2)C(O)=O	1
+c1cc(ccc1NC(=O)c2ccc3c(n(nc3CC)C4CCCC4)c2)C(NO)=O	2618
+c1cc(ccc1NC(=O)c2ccc3c(n(nc3CC)C4CCCC4)c2)C(NOCc5ccccc5)=O	514
+c1cc(ccc1NC(C(c2ccc(cc2)F)C)=O)-c3cc4nc(nn4cc3)N	2070
+c1cc(ccc1NC(C)CN(C)C)N	0
+c1cc(ccc1NC(=O)C2CC(CN(C(=O)c3cc(-c4occc4)ccc3)C2)N)Cl	18
+c1cc(ccc1N)NC(C2N(CCN(c3cc(Cl)c(cc3)Cl)C2)CC)=O	0
+CC1(C)c2cc(ccc2NC(=O)C1)F	1620
+c1cc(ccc1NC(=O)NC2(CC(=O)O)C(N(c3ccccc23)CC(OCC)OCC)=O)C	3
+c1cc(ccc1NC(=O)C)N2CCNC2=O	1760
+CC(C)C(N1Cc2c(ccc(c2)-c3ccc(cc3)NC(Nc4c(C)cccc4)=S)C1=O)C(O)=O	4
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(N3CCCC(N)c4ccccc34)=O	18
+c1cc(ccc1CC(C(O)=O)NC(=O)C2(CCCC2)CCOC)NC(c3c(Cl)cccc3Cl)=O	4
+c1cc(ccc1NC(=O)c2cc(ccc2OC)N)Br	0
+c1cc(ccc1NC(c2c(F)c(O)ccc2Cl)=O)CC(OCC)=O	5
+c1cc(ccc1NC(c2c(c(OCc3cc(Cl)ccc3)ccc2Cl)F)=O)CC(O)=O	3
+c1cc(ccc1NC(c2c(c3c(cccc3OC)o2)C)=O)-c4ccc(cc4)S(=O)(=O)NC(C(C)C)C(O)=O	4
+c1ccccc1C(Nc2ccc(cc2)CCC(=O)O)=O	159
+c1cc(ccc1NC(c2ccccc2)=O)Cc3cn(C)c4c3cc(cc4)C(=O)O	1
+c1cc(ccc1C)-c2c(cccc2)C(Nc3ccc(cc3)C(=O)N(C)c4c(CO)cccc4)=O	217
+O=S(=O)(Cc1ccc(cc1)NC(c2ncnc(c2)N(CC3CC3)C4CCCCC4)=O)CCC(=O)O	3
+c1cc(ccc1)OCC(c2oc3c(cccc3)c2C)Nc4ccc(cc4)C(=O)O	1
+c1cc(ccc1[N+](=O)[O-])Nc2c3ncn(C)c3nc(Cl)n2	1545
+c1cc(ccc1C(=O)O)NCCCCCC(=NO)CCCCCCCCCC	6
+c1ccccc1OCCCCCCCCCCCNc2ccc(cc2)C(=O)O	6
+c1cc(ccc1NCCCN2CCN(CC2)C)N	0
+c1cc(ccc1N)NCCc2cnccc2	0
+c1cc(ccc1NCc2c(C)oc(c2)C(=O)O)-c3ccccc3	1
+c1cc(ccc1NNC=O)N	0
+c1cc(ccc1NS(=O)(=O)C)-c2nn3c(nnc3Cc4ccc(cc4)Cl)cc2	2736
+c1cc(ccc1NS(=O)(=O)C)C(N)C	840
+c1cc(ccc1CO)NS(=O)(=O)C	217
+c1cc(ccc1NS(=O)(=O)CC)Cc2c(nc3c(ccc(OCC(O)=O)c3c2OC(F)F)F)CC	4
+O=S1(=O)CCCN1c2ccc(cc2)-c3c(c4ccc(OC)cc4n3CC)C#N	2442
+O=S1(=O)CCCN1c2ccc(cc2)[N+]([O-])=O	2442
+O=S(=O)(c1c(cccc1)N)Nc2ccc(cc2)OC	0
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3c(N)n4c(c(C(=O)O)cn4)nc3	6
+c1cc(ccc1CCN)NS(=O)(=O)c2ccccc2	102
+c1cc(ccc1Cc2ccccc2)Nc3c(CO)cnc4ccc(cc34)Cl	351
+c1cc(ccc1Cl)-n2c(-c3c(cccc3)F)nc4c2nc(C)nc4Cl	11013
+c1cc(ccc1Nc2ncccc2N)Cl	13
+c1cc(ccc1Nc2c(N)cnc(Cl)n2)I	193
+c1cc(ccc1OC)Nc2c(N)cnc(Cl)n2	193
+c1cc(ccc1OCC)Nc2nc(Nc3cnn(CCn4nccc4)c3)ncc2N	193
+c1cc(ccn1)-c2c3c(nc(nc3[nH]c2)Nc4ccc5c(CCC(=O)N5C)c4)Nc6ccc(cc6)F	392
+c1cc(ccc1Oc2ccccc2)Nc3c4c(cc(OC)c(c4)N)ncn3	0
+c1cc(ccc1Nc2nn(c3ccnc(O)c23)C(CC#N)C)S(=O)(=O)N(C)C	700
+c1cc(ccc1Nc2c3cc(-c4ccco4)ccc3nc(n2)-n5c6c(c(C(=O)CCC(=O)O)c5)cc(Br)cc6)OC	4
+c1cc(ccc1Nc2c3n(ccn3)cc(Br)n2)C(O)=O	6
+c1cc(ccc1Nc2cc(nc(C3CC3)c2)-c4cc(Cl)ccc4)CCO	44
+c1cc(ccc1Nc2cccc(c2)O)N	0
+c1cc(ccc1Nc2ccccn2)Oc3ncccc3C(=O)O	6
+c1cc(ccc1Nc2c3c(cccc3)nc(n2)-c4cccc(O)n4)Cl	104
+c1cc(ccc1C(O)=O)Nc2nc(Cl)ccc2C(=O)N	1
+c1cc(ccc1P(C)(C)=O)Nc2nc(nc3n(C=Cc4c(C)cccc4C)cnc23)-n5ccnc5	937
+c1cc(ccc1Nc2nc(N3CCOCC3)nc4CCCc24)C5(CCC5)CO	21
+c1cc(ccc1Nc2nc(N3CCOCC3)nc4CCCc24)C5(CCC5)C(O)=O	4
+c1cc(ccc1Nc2ncc(F)c(Nc3c(cccc3)C(=O)NC(C)C)n2)CO	217
+c1cc(ccc1Nc2nc(c3c([nH]cc3)n2)Nc4cc5c(cnn5C)cc4)C(=O)N	392
+c1cc(ccc1Nc2cc(N(C)C)nc(NCCc3ccccc3)n2)C	15
+CC(C)NC(=O)c1ccccc1Nc2nc(Nc3ccc(cc3)C=O)ncc2F	39
+c1cc(ccc1CCN)Nc2ncc(cc2)C(=O)N	51
+c1cc(ccc1CO)Nc2ncc3c(ccc(c3)-c4ccncc4)n2	41
+C1C(C)N(C(CN1c2nccc(-n3cnc(Nc4ccc(cc4)C(O)=O)n3)c2)C)C(=O)C	6
+c1ccccc1-c2cc(Nc3ccc(cc3)CC(C4CO4)NC(C)=O)ncn2	2080
+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(OCC)c(cc34)N	0
+c1cc(ccc1Nc2nc3cc(Oc4ccnc5c4sc(-c6ccc(cn6)CN7CCCC7=O)c5)ccc3o2)Cl	680
+c1cc(ccc1Nc2oc3c(n2)cc(cc3)O)Cl	818
+c1cc(ccc1O)-c2c(CC)c(-c3c(cc(O)cc3)F)cnc2N	5
+C1CC(CCN1)(C)NC(=O)c2c3c(C)nn(c3nc(-c4ccc(cc4)O)c2)C5CCCCO5	25
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4cc(ccc4)O	11014
+c1cc(ccc1O)-c2cn(c3cc(ccc23)-c4cccc(c4)N)-c5ccncc5	0
+c1cc(ccc1OCc2cccc(c2)C(OC)=O)-c3nnc(CNC(=O)C(O)CCCCCCc4ccc(nc4)F)s3	22
+c1ccccc1COc2ccc(cc2)C#N	22
+c1cc(ccc1C#N)Oc2ccccn2	1237
+C12C(CN(C1)CCC(c3ccc(cc3)O)O)CC(C2)(O)c4ccccc4	74
+c1ccccc1C(c2ccccc2)CN(Cc3c(Cl)c(C(F)(F)F)ccc3)CCCOc4ccc(cc4)C(=O)OC	20
+c1ccccc1COc2ccc(cc2)C(C(O)=O)O	22
+c1cc(ccc1)-c2cc(nc3ccccc23)-c4ccc(cc4)O	11015
+c1cc(ccc1C(CCc2cc(OC)c(cc2)O)=O)O	2301
+c1cc(ccc1O)-c2nc3n(cc(cc3)Br)c2	440
+C1(=O)c2ccccc2C(=O)N1C3CCC(CC3)Oc4ccc(cc4)C(OCC)=O	20
+c1cc(ccc1C(OCC)=O)Oc2ccccn2	1237
+c1cc(ccc1O)C(c2ccc(cc2)O)=C(CC)c3ccc(cc3)OCC(=O)O	3
+c1cc(ccc1C(c2ccc(cc2)O)=C(c3ccc(cc3)OCC(OCC)=O)CCCC)O	1051
+c1cc(ccc1C2CCC(CC2)O)O	100
+c1cc(ccc1OC)C=2OC(C)(C)C(C=2c3ccc(cc3)OCc4nc5ccccn5c4Cl)=O	2303
+c1cc(ccc1OCc2nn3ccnc3cc2)C4=C(OC(C)(C)C4=O)c5ccc(cc5)OC	412
+c1cc(ccc1C=C(C)C(O)=O)O	11016
+c1cc(ccc1CC(=O)OC)OCc2ccccc2	22
+c1cc(ccc1OCc2ccccc2)CC(C(=O)OCC)O	22
+c1ccccc1COc2ccc(cc2)CCC#N	22
+c1cc(ccc1)COC(=O)CCc2ccc(cc2)O	283
+c1cc(ccc1O)CCCCO	21
+c1cc(ccc1OCc2ccccc2)CCCCO	22
+c1cc(ccc1O)CCNc2nccc(n2)-c3cc(ccc3)C=O	1054
+c12ccccc1nc3c(cccc3)c2C(=O)Oc4ccc(cc4)CCOS(=O)(=O)c5ccc(cc5)C	1039
+c1cc(ccc1O)CNCc2ccc(cc2)-c3c(cc4c5n(cnn5)ccc4n3)-c6ccccc6	11017
+c1cc(ccc1F)OC(Cc2ccc(cc2)OCc3ccccc3)C(OCC)=O	3319
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCCOc5ccc(cc5)F	20
+c1cc(ccc1)C(CC)=C(c2ccc(cc2)OCOC)C(Nc3ccc(cc3)O)=O	4538
+c1cc(ccc1C)Sc2ccnc(n2)Nc3ccc(cc3)O	55
+c1cc(ccc1O)Nc2sc3c(cccc3)n2	11018
+c1ccccc1COc2cc(I)ccc2C=Nc3ccc(cc3)O	457
+c1cc(ccc1Nc2ncnc(c2)Cl)O	73
+c1cc(ccc1N)Oc2c(cccn2)-c3ccnc(C)c3	1605
+c1cc(ccc1N)Oc2ncnc3ccn(c23)C	1438
+c1cc(ccc1NCCCCBr)O	15
+c1cc(ccc1O)OC(=O)c2ccc(cc2)OCCCCOC(C=C)=O	852
+c1cc(ccc1OCC(C#N)(CCCC)C)O	450
+c1cc(ccc1O)OCC(Nc2ccccc2)=O	648
+c1cc(ccc1OCCOC(=O)C=C)C(=O)Oc2ccc(cc2)OC(c3ccc(cc3)OCCCCOC(=O)C=C)=O	5035
+c1cc(ccc1OCCNc2ccccc2)O	15
+c1cc(ccc1O)Oc2ccccc2N	0
+c1cc(ccc1SCCCO)OCc2ccccc2	22
+c1cc(ccc1O)OC(=O)C(C)(C)CCCCCC	16
+c1cc(ccc1CO)OC(=O)C(C)=C	41
+c1cc(ccc1O)-c2occn2	173
+c1cc(ccc1C(=Cc2cc(c(F)cc2)C)C(=O)O)O	173
+c1cc(ccc1OC(=O)C)CO	41
+c1cc(ccc1)N(C)C(=O)Oc2ccc(cc2)N	0
+C(N1c2c(ccc(c2)-c3nc(cs3)C(=O)OCC)CC1)(Nc4sc5c(cccc5)n4)=O	2143
+c1cc(ccc1OC(C)C(=O)OC)O	173
+c1cc(ccc1CCC)OC(C)C(=O)O	3
+c1cc(ccc1OC(C(Nc2scc(CC(=O)O)n2)=O)CC3CCCCC3)OC	3
+c1cc(ccc1C2CC2)OC(C(O)=O)=CC	127
+CC(C)Oc1ccc(cc1)-c2ccc(c(c2)N)O	0
+c1cc(ccc1OC(C)C)-c2nc(c(o2)C)COc3cc(C)c(CC(C(O)=O)OCC)cc3	4
+c1cc(ccc1OC(C)C)Cc2c(n[nH]c2C)OC3OC(C(C(C3O)O)O)CO	59
+c1cc(ccc1[N+]([O-])=O)OC(OC(C)C(NC2c3c(-c4c(NC2=O)cccc4)cccc3)=O)=O	3473
+c1cc(ccc1OC(NCc2ccc(S(=O)(=O)c3ccccc3)cn2)=O)[N+]([O-])=O	101
+c1ccccc1[Si](c2ccccc2)(OCC(C)(C)CNC(=O)Oc3ccc(cc3)[N+]([O-])=O)C(C)(C)C	101
+c1cnccc1CNC(Oc2ccc(cc2)[N+]([O-])=O)=O	101
+c1cc(ccc1O)C=CC(OCCCCCCCl)=O	11019
+c1cc(ccc1-c2cc([nH]n2)C=O)OC	178
+c1cc(ccc1OC)-c2c(-c3ccccc3OC)oc4ncnc(NCCCCCC(=O)O)c24	4
+c1cc(ccc1OC)-c2c(cc(cc2)Cc3c(c(c(OC)c(c3C)OC)OC)OC)C(O)=O	1
+c1cc(ccc1-c2c(C)nc(c(C#N)c2)O)O	5
+c1cc(ccc1OC)-c2c(C(O)=O)cc(cc2)CC3=C(C)C(C(=C(OC)C3=O)OC)=O	1450
+c1cc(ccc1-c2c(cnc(N)n2)C3=NN(C(C)C)C(=O)C=C3)O	5
+C1CN(CCC1c2nc(c(-c3ccc(cc3)OC)n2CC(=O)O)-c4ccc(cc4)OC)C(=O)N(C)O	4
+c1cc(ccc1-c2oc(OC)nc2-c3ccc(cc3)OC)O	16
+c1cc(ccc1O)-c2c3ccccc3c(Br)cc2	5
+c1cc(ccc1-c2c3c(ncnc3n(C(C)C)c2)N)O	5
+c1cc(ccc1OC)-c2c3c(oc2-c4ccccc4F)ncnc3NCCCCCC(=O)O	4
+c1cc(ccc1OC)-c2c(OC)ccc(CN)c2	18
+c1cc(ccc1CC2SC(NC2=O)=O)Oc3cccc(-c4ccc(cc4)OC)c3	534
+c1cc(ccc1-c2cc3NC(=O)Cc3cc2)OC	11020
+c1ccccc1Cn2c3ccc(-c4ccc(cc4)O)cc3c(C)c2C	5
+c1cc(ccc1O)-c2ccc(c(F)c2)-c3ccc(cc3)CCC	5
+c1cc(ccc1OC)-c2ccc(cc2)-c3nc(CCOc4ccc(cc4)OC(C)(C)C(=O)O)c(C)o3	3
+c1ccccc1-c2c(c3cc(ccc3n2C)-c4ccc(cc4)O)C	5
+c1cc(ccc1-c2oc(nc2)-c3cccc(-c4oc(nn4)Cc5ccc(cc5)C(=O)OC)c3)OC	1705
+c1cc(ccc1OC)-c2nc(N(CCCOc3ccc4c(ccn4CC(=O)O)c3)C)c(F)cn2	4
+c1cccc2c1C(=O)N(C2=O)CCOc3ccc(cc3)-c4oc(nc4-c5ccc(cc5)OC)OC	896
+c1cc(ccc1OC)-c2nn3ccc(Cl)cc3c2C(=O)C#C	2344
+c1cc(ccc1O)-c2c(c(N)sn2)C	5
+c1cc(ccc1-n2c3ccccc3nc2-c4c(noc4)CC)O	5
+CCC(CC)C(N)c1n(-c2ccc(cc2)OC)ncc1	18
+c1cc(ccc1-n2nc(c3c(cc(nc23)C)C(Nc4c(C)nccc4C)=O)C)O	5
+c1cc(ccc1-n2c(ccn2)N)OC	2257
+c1cc(ccc1OC)-c2cc3n(ccc(Cl)c3)n2	3169
+c1cc(ccc1CN2c3c(C(=O)N(C2=O)CC(=O)c4ccc(cc4)O)cc(s3)CC)-c5c(C#N)cccc5	5
+c1cc(ccc1OC)-c2oc(c(CC=C)n2)C	11021
+c1cc(ccc1-c2nnc(o2)Cc3cc4sc(C(OCC)=O)cc4cc3)OC	877
+c1cc(ccc1OC)Cc2c(ccc(c2)I)Cl	394
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)OC	11022
+c1cc(ccc1OC)C(=O)c2ccc(cc2)OCC(O)=O	4
+c1cc(ccc1OCC(O)=O)C(c2ccc(cc2)OC)O	488
+c1cc(ccc1C(=O)c2ccc(cc2)O)OCCCl	5
+CC(C)(C#CC(c1ccc(cc1)OC)=O)O	3145
+c1cc(ccc1OC)C(Cc2cc(ncc2)NC(=O)c3ccccc3)=O	330
+c1ccccc1CCCNC(=O)c2ccc(cc2)OC	93
+c1cc(ccc1C(c2c(Cc3ccccc3)sc4ccccc24)=O)OC	11023
+c1cc(ccc1Cc2c(cc(c(c2)Br)OCC=C)Cl)OC	452
+c1cc(ccc1Cc2cc(ccc2Cl)Br)OC	394
+c1cc(ccc1OC)C(=O)c2c(OC)cc(OC)c(c2)CCC(O)=O	4
+c1cc(ccc1OC)Cc2cc(ccc2OCc3ccccc3)OC	452
+c1cc(ccc1OC)C(c2ccc(cc2)OC)(OCc3cc(CF)cc(c3)CN)c4ccccc4	18
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CC#N	11024
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CCN	51
+c1cc(ccc1C2CCOCC2)OC	564
+c1cc(ccc1C=2C=CC(N(C=2)Cc3c(cc(Cl)cc3)F)=O)O	5
+c1cc(ccc1O)C=Cc2cccc(I)c2	5
+c1cc(ccc1CNOC)OC	1059
+c1ccccc1COC(NC2CCN(C3C(CC(CC3)NCc4ccc(cc4)OC)NC(C)=O)C2=O)=O	42
+c1cnccc1CN2CCN(CC2)c3c4c(ncc3Br)[nH]c(-c5ccc(cc5)OC)n4	2671
+c1cc(ccc1CC(=O)N2C(OCC2Cc3ccccc3)=O)OC	1840
+c1cc(ccc1O)CCCC(=O)O	5
+c1cc(ccc1OC)CCC=O	24
+C1CCCC1N2C(c3cc(OC)ccc3CC2)=O	11025
+O=S(=O)(c1ccc(cc1)Br)N(Cc2ccc(cc2)OC)C	11026
+c1cc(ccc1COC(=O)C2N(CC(O)C2)C(OCc3ccc(cc3)[N+](=O)[O-])=O)OC	11027
+O=S(=O)(Nc1nccs1)c2ccc3N(c4ccccc4C(O)CO)CCOc3c2	11028
+c1cc(ccc1CN2C(C(Cl)=C(C(OC)=O)C(=C2)C(O)=O)=O)OC	127
+CC1(C)CC(CC(N1)C(C)O)=O	11029
+c1cc(ccc1OCCC2NC(=O)N(C2)Cc3cc(C)c(C)cc3)OC(C)(C)C(OCC)=O	5068
+C1(CC(N)CC1)Oc2cc3c(c(ncc3)O)cc2	11030
+c1cc(ccc1CN2CC(CC2=O)C(O)C)OC	100
+c1cc(ccc1CN2CC(CCC2)CCCC)OC	1571
+c1cc(ccc1OC)CN2C(=O)C(Br)=CC(CO)=N2	11031
+CCOC(c1c(O)nc2c(cc(F)cn2)c1Cl)=O	11032
+N#Cc1c(O)nc2c(cc(F)cn2)c1Cl	11033
+CCOC(c1c(N)cc(Cl)nc1)=O	4316
+c1cc(ccc1OC)CNc2nccc([N+]([O-])=O)c2	174
+c1cc(ccc1OC)CNc2c(cnc(Nc3ncc(C#N)nc3)c2)N	13
+c1cc(ccc1OC)CNc2nc(ccc2)CCCCC(=O)OCCCC	587
+n1cc2c(cc1N)c(ncn2)Nc3ccc(F)c(Br)c3	755
+C(c1cccc(F)c1)n2ncc3cc(ccc23)Nc4c5cc(ncc5ncn4)N	755
+C(#C)c1cc(ccc1Cl)Nc2c3cc(ncc3ncn2)N	755
+c1c(ccc(Br)c1Cl)Nc2c3cc(ncc3ncn2)N	755
+Nc1nccc(c1)[N+](=O)[O-]	755
+C=CCOP(OCC=C)(=O)OCc1c(ccc(F)c1)C(=O)O	11034
+c1cc(ccc1)C(=O)OCC(=C)CCOCc2ccc(cc2)OC	11035
+c1(cc(cc(Br)c1OCc2ccc(cc2)OC)C(C=C)=O)Br	11036
+c1cc(ccc1OC)COc2c(c3c(cc2OCc4ccc(cc4)OC)N(CC)C=C(CO)C3=O)Cl	11037
+c1cc(ccc1COc2c(Cl)c3C(=O)C(C=O)=CN(c3cc2OCc4ccc(cc4)OC)CC)OC	11038
+c1cc(ccc1COc2c(O)ccc(c2)C=O)Cl	686
+c1c(Cl)c(OCc2cccc(F)c2)ccc1Nc3ncnc4cccc(c34)O	686
+c1cc(ccc1COc2cc(C(C(C)C)=O)c(-c3c(ccc(OC)c3)F)cc2)OC	155
+c1cc(ccc1COc2cc(c(-c3cc(OC)ccc3F)cc2)C=O)OC	39
+c1cc(ccc1OC)COc2c3n(cc(c2)N4C(=O)C=CC=C4)cc(n3)C	5092
+c1cc(ccc1S(=O)(=O)N(Cc2ccc(OCc3ccc(cc3)OC)c(Br)c2)C)F	92
+c1c(c(Nc2cc([N+]([O-])=O)c(cc2)C(=O)c3cc(ccc3C)O)ccc1F)F	686
+O(C(C)c1ccccc1Cl)c2c(sc(c2)-n3cnc4ccc(O)cc34)C(=O)OC	686
+c1cc(ccc1O)Cc2c(NCCCCC)nc(N)nc2C	5
+c1cc(ccc1O)Cc2c(ccc(c2)I)Cl	5
+c1cc(ccc1OC)Cc2cc(ccc2O)OC	16
+c1cc(ccc1Cc2ccc(cc2)-c3occn3)O	5
+c1cc(ccc1OC)Cc2nc(O)c(nn2)C(NC(C(CCCc3ccccc3)C(=O)C)=O)C	2299
+c1cc(ccc1OC)Cc2nc(O)c(C(C)NC(C(CCCc3ccccc3)C(C)O)=O)nn2	9
+O=S(=O)(Nc1cccc(c1)-c2n[nH]cc2-c3nc(N)ncc3)c4cc(ccc4F)F	1613
+c1cc(ccc1OC)Cn2nc(c(-c3ccnc(N)n3)c2)-c4cccc(N)c4	0
+c1cc(ccc1OC)Cn2cc(-c3nc(Nc4ncccn4)sc3)c(n2)Br	11039
+c1cc(ccc1OC)Cn2cc(C(O)=O)cn2	6
+C1CC1c2nc3c(c(C(OCC)=O)c2)cn[nH]3	4274
+c1cc(ccc1OC)Cn2nnc(-c3cc(C(=O)NCc4ccc(cc4)C(O)=O)ccc3)n2	1
+c1cc(ccc1N(C)c2nc(C)nc3c2cccc3)O	5
+c1c2c(ccc1)C(=O)N(C2=O)Cc3nc4ccccc4c(n3)N(C)c5ccc(cc5)OC	2884
+c1cc(ccc1OC)N(C)c2c3ccccc3nc(n2)CNC(=O)Oc4ccccc4	101
+c1cc(ccc1O)N2C(=O)C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)N=C2CC	5
+C1CN(CCN1c2ccc(cc2)O)c3ccc(cc3)N	5
+c1cc(ccc1OC)N2CCN(CC2)c3ccc(cc3)NC(=O)Oc4ccccc4	90
+c1cc(ccc1OC)N2CCN(CC2)c3ccc(cc3)N	0
+c1cc(ccc1OC)-n2c(-c3conc3CC)nc4ccccc24	11040
+c1cc(ccc1OC)Nc2nc3cnc(C(O)=O)cc3n2CCCN4CCCCC4	6
+c1nc(ncc1Br)Oc2ccc(cc2)OC	893
+CC1(C)Oc2c(C=C1)cc(OC)cc2	1318
+c1ccccc1-c2ccc(N)c(Oc3ccc(cc3)OC)c2	0
+c1cc(ccc1Oc2cc(ccc2)CN)OC	817
+O=S(=O)(N(C)C)c1ccc(cc1)O	5
+c1cc(ccc1OC)S(=O)(=O)N(C(CO)C(OC)=O)Cc2cc(C)ccc2N	0
+c1cc(ccc1S(=O)(=O)N2CCN(CC2)CC(Nc3ccccc3C(=O)N)=O)OC	33
+c1cc(ccc1S(=O)(=O)N2CCc3c2c(cc(Br)c3)N)OC	0
+c1cc(ccc1SC(CC)C)O	5
+c1cc(ccc1SCN2C(N=CC(Cl)=C2)=O)OC	11041
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)N=C=S	1034
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)N	0
+c1cc(ccc1O)Sc2c3c(ccc2)sc(C(OC)=O)c3	5
+c1cc(ccc1C#N)Sc2ccc(cc2)O	5
+c1cc(ccc1-c2cnnc(c2Oc3ccc(cc3)F)O)S(=O)(=O)C	11042
+c1cc(ccc1OCC#CC)C(=O)O	1
+c1cc(ccc1S(=O)(=O)N2C(C(=O)O)C(C)(C)SCC2)OCC#CCCOC3OCCCC3	4
+c1cc(ccc1OCC(O)C)CO	100
+c1cc(ccc1CC(OCC)C(O)=O)OCC(=O)N(Cc2c(cc(F)cc2)F)Cc3ccc(cc3)CC	3
+c1cc(ccc1CC(OCC)C(O)=O)OCC(=O)N(Cc2cccc(OC)c2OC)CCCC	3
+c1cc(ccc1Oc2c(OC)c3c(ccc(Br)c3)nc2O)C#N	11043
+c1cc(ccc1CC(OCC)C(=O)NOC)OCC(O)c2cccc(OC)c2	74
+c1ccccc1C(C(NC(c2ccc(cc2)OCC(C)CCC)CN=[N+]=[N-])=O)C	9
+c1cc(ccc1OCC(CCCCC)c2ccc3c(OCCC3(C)C)c2)C(=O)O	1
+c1ccccc1CNC(COc2ccc(cc2)-c3c(c(CN4C(=O)CCC4=O)nc5c3c6CCS(=O)Cc6s5)Cl)=O	9
+c1cc(ccc1OCC(O)=O)OCCOCCOCCOCCCCCCCCCCCS	1113
+c1cc(ccc1OCC(O)=O)-c2c(C)nc(c(C#N)c2)O	3
+c1cc(ccc1OCC(O)=O)NC(OCc2ccccc2)=O	3
+c1cc(ccc1-c2ccc(cc2)OCC=O)OC(C(=C)C)=O	598
+c1cc(ccc1CC(O)=O)OCC(c2cccnc2C)=O	4
+c1cc(ccc1Cc2c(c3c(OC(C3)C)c(Br)c2)Cl)OCC	394
+c1cc(ccc1OCC)C(C2CCN(CC2)CC(=O)NCc3nc(c4COCCc4n3)O)=O	9
+c1cc(ccc1)CN2C(CN(c3ccc(cc3)OCC)CC2)C(=O)N(c4ccc(cc4)[N+]([O-])=O)CCOC	1834
+c1cc(ccc1Nc2c(cnc(n2)Nc3cn(nc3)CCn4nccc4)[N+]([O-])=O)OCC	486
+c1cc(ccc1OCC2(CCc3c(C)c(OC(C)=O)c(c(C)c3O2)C)C)N	0
+c1cc(ccc1Cl)OCC(c2ccc(s2)Br)(Cn3cncn3)O	1377
+c1cc(ccc1OCC2CC2)-c3cc(NC(Cc4ccccc4)C(=O)O)ncn3	4
+c1cc(ccc1OCC(O)CO)C#N	265
+c1cc(ccc1OCC=2OC=C(C(C=2)=O)O)CC(C)=O	2306
+c1cc(ccc1CCC(=O)O)OCC=C	4
+c1cnn(n1)CCOCc2ccc(cc2)O	1691
+c1cc(ccc1OCCBr)CC2=C(C(Oc3c2ccc(O)c3)=O)c4c(Cl)cc(Cl)cc4	5
+c1cc(ccc1OCCBr)Oc2nc3ccccc3s2	1523
+CC(C)Sc1n(-c2ccc(cc2)OCCCO)nnn1	11044
+C(O)C(CO)CCOc1ccc(cc1)Br	1257
+c1cc(ccc1OCCC(CCC=C)CO)F	44
+c1cc(ccc1)CN2CCC(c3ccc(cc3)OCCC)=CC2	252
+c1cc(ccc1CC(O)=O)OCCC2C(C3CCN(CC3)c4onc(C(C)C)n4)C2	4
+c1cc(ccc1OCCCC(O)=O)C=O	3
+c1cc(ccc1OCCCCC(=O)O)-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2	3
+c1cc(ccc1OCCCCCCCC)-c2ncc(cn2)C(OCC)=O	511
+c1cc(ccc1OCCCCCCCC)-c2ncc(cn2)C(O)=O	6
+C1CC(CCC1c2ccc(cc2)OCCCCCCCCCCCBr)OC(=O)c3ccc(cc3)OCCCCCCCC	279
+c1cc(ccc1OCCCCCCCC)-c2ccc(c(n2)O)CCCCCCCC	11045
+c1cc(ccc1N)OCCCCCCCCBr	0
+c1cc(ccc1C(=O)O)OCCCCCCCCCCCCCC	1
+c1cc(ccc1OCCCCCCOC)N2CCNCC2	526
+c1cc(ccc1CN)OCCCCN(CC)CC	107
+c1cc(ccc1CN)OCCCCN2CCOCC2	107
+c1cc(ccc1OCCCCN)C=Cc2nc3c(C(N(C(N3CC)=O)CC)=O)n2C	18
+c1cc(ccc1OCCCCl)-c2nc(CC(=O)O)co2	4
+c1cc(ccc1OCCCCl)-c2occ(n2)C(O)=O	6
+c1cc(ccc1OCCCCl)-c2nc3c(s2)CCC3C(=O)O	3
+c1cc(ccc1C(=O)O)OCCCN(C)C	1
+c1cc(ccc1OCCCN(C)Cc2nc3ccccc3nc2)N	0
+c1cc(ccc1OCCCOc2ccc(cc2)CC(C(O)=O)OC)OCC(F)(F)C(F)F	3
+c1cc(ccc1OCCCc2[nH]nnn2)CCCCN	102
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN(c3ncccn3)C	534
+c1cc(ccc1OCCN2C(Sc3c2ccc(C(c4ccccc4)=NO)c3)=O)OC(C)(C)C(=O)O	3
+c1cc(ccc1OCCN2CCCC2C)-c3nc(CC(=O)O)co3	4
+c1cc(ccc1OCCN)CC(C)(CCCc2ccccc2)C(=O)OCC	18
+c1cc(ccc1CCC(=O)O)OCCN=[N+]=[N-]	4
+c1cc(ccc1OCCN)[N+]([O-])=O	18
+c1cc(ccc1C(=O)O)OCCOC	1
+c1cc(ccc1OCCOC)C(CC)N	840
+c1cc(ccc1OCCOCCCC)-c2cc3CCCN(C)c3c(C=C(C)C(=O)O)c2	108
+c1cc(ccc1OCCOCCCC)-c2cc3c(cc2)N(CCCC(C(O)=O)=C3)CC(C)=C	127
+c1cc(ccc1OCCOCCCC)-c2cc3c(cc2)N(CCC(C(O)=O)=C3)CC=CC	127
+c1cc(ccc1O)OCCOCCOCCOCCCCCCCCCC=C	173
+O=C(OC)C(C(=O)OC)Cc1ccc(cc1)OCCOc2cc3CCCCc3cc2	11046
+c1cc(ccc1OCCc2ncc(C(C)OCOC)cc2)CC3SC(=O)NC3=O	534
+c1cc(ccc1OC(C)(C)C(=O)O)OCCc2nc(-c3ccc(cc3)-c4cccnc4)oc2C	3
+c1cc(ccc1OCCc2ccc(CO)cn2)[N+]([O-])=O	1262
+c1cc(ccc1N)OCCn2cncc2	0
+c1cc(ccc1OCOC)C(N)CCC	840
+c1cc(ccc1O)C=Cc2nc3c(C(N(C(N3CC)=O)CC)=O)n2C	241
+c1cc(ccc1OCc2c(C(C)C)onc2-c3c(cccc3Cl)Cl)-c4ccc5c(c4)cc(C(O)=O)c(C)n5	6
+c1cc(ccc1OCc2c(C(C)C)onc2COc3c(C)cccc3C)-c4ccc5cc(C(=O)O)ncc5c4	1
+c1cc(ccc1OCc2c(C3CCCC3)onc2C4CCCC4)-c5cc6c(nc(C(=O)O)cc6)cc5	1
+c1cc(ccc1OCc2c(CCc3c(cccc3Cl)Cl)noc2C(C)C)-c4ccc5c(c4)c(C(=O)O)ccc5	1
+c1cc(ccc1OCc2c(CCc3c(cccc3Cl)Cl)noc2C(C)C)-c4ccc5c(c4)cc(C(O)=O)cc5	1
+c1cc(ccc1OCc2c(F)cccc2)CSCCC(O)=O	3
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CO	41
+c1cc(ccc1OCc2c(onc2Cc3c(Cl)cccc3Cl)C(C)C)-c4cc5c(c(ccc5)C(=O)O)cc4	6
+c1cc(ccc1Cl)OCc2ccc(cc2)CNC3=C(Nc4ccncc4)C(=O)C3=O	993
+c1cc(ccc1OCc2ccc(cc2)CN)Cl	18
+c1cc(ccc1Cn2c3c(cccc3)c(CC(=O)O)c2)OCc4ccc5c(n4)cccc5	4
+c1cc(ccc1CC(=O)O)OCc2ccc3ccccc3n2	3
+c1cc(ccc1OCc2cccc(F)c2)N3CC(C#N)CC3=O	143
+c1cc(ccc1O)-c2c3CCCCc3nc4c2cccc4	16
+c1cc(ccc1-c2nn(cc2-c3ccncc3)C)O	16
+c1cc(ccc1OCc2ccccc2)-n3c(-c4ccccc4Cl)nc(C(O)=O)c3C	6
+c1cc(ccc1OCc2ccccc2)C(c3ccc(cc3O)OC)=O	241
+c1cc(ccc1O)C=2C(=O)C(C)(C)OC=2c3ccc(cc3)OC	16
+c1cc(ccc1CC(C(=O)OCC)(C)Oc2cc3c(cc2)nccc3)O	16
+c1cc(ccc1O)CC(OCC)C(OCC)=O	16
+c1cc(ccc1CC(OCCCCCC)C(=O)OC)O	16
+c1cc(ccc1N)N2C(c3ccc(cc3CC2)OC)Cc4ccc(cc4)OCc5ccccc5	0
+c1cc(ccc1CCCCn2c(ncc2)CC(O)CO)O	16
+c1cc(ccc1Cn2c3c(cc2CNC)cccc3)O	16
+c1ccccc1-c2cn(Cc3ccc(cc3)OCc4ccccc4)cc2C=O	200
+c1cc(ccc1O)OC2CCNC2=O	16
+O=S(=O)(c1ccc(cc1)O)NCC(N2CCCCC2)C(=O)OC	16
+c1cc(ccc1OCc2ccccn2)C(=O)O	6
+Cc1cccc(C)c1-c2nn3cc(COc4ccc(cc4)C(C#CC)CC(=O)O)ccc3n2	3
+c1cc(ccc1OCc2nc(sc2)N)CCCCn3ccnn3	1176
+c1cc(ccc1OCc2cscc2)CC[N+](=O)[O-]	364
+c1cc(ccc1OCc2nc3c(cccc3C)n2CCC(C)C(=O)O)Cl	3
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CNO	1059
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CC(OCCCCCC)C(O)=O	4
+c1cc(ccc1Oc2c(-c3ccccc3)c(C)cc4cc(ccc24)OC)OCCCC(O)=O	3
+c1cc2c(oc3c2cc(C#N)cc3)c(c1OC)C(C)CC	5082
+c1cc(ccc1N)Oc2c(Cl)ccc(c2)F	0
+c1cc(ccc1C#N)Oc2c(O)nc3ccc(Br)cc3c2O	5
+c1cc(ccc1OC)Oc2c(N)cc(F)c(Br)c2	0
+c1cc(ccc1C(=O)NCCOC)Oc2ccc(Cl)cc2N	0
+c1cc(ccc1O)Oc2c([N+](=O)[O-])cccc2	173
+c1cc(ccc1F)Oc2cccc(C(OC)=O)c2N	0
+c1cc(ccc1CN)Oc2c(cc(Br)cc2)Cl	817
+c1cc(ccc1F)Oc2c(C(=O)O)cc(cn2)F	1
+c1cc(ccc1-c2noc(c2)C#N)Oc3c(ccc(F)c3)Br	11047
+c1cc(ccc1Oc2cc(ccc2N)N)C=C	0
+c1cc(ccc1Oc2ccnc3c2ncc(c3)OC)Nc4nnc(c5c4cccc5)-c6sc(c(C)c6)C	1443
+c1cc(ccc1Oc2c3cc(c(OCCOC)cc3ncc2)C#N)N	0
+c1cc(ccc1NC(NC(=O)Cc2ccccc2)=S)Oc3ncnc4nc[nH]c34	3704
+c1cc(ccc1Oc2ccnc3c2sc(c3)C(=O)O)NC(Nc4cc(ccc4F)C)=O	1
+O=S(=O)(NC)Cc1ccc(cc1)Oc2nc(nc(c2)CN)C	421
+c1cc(ccc1Oc2cc(OC3CCN(C)C3=O)cc(C(O)=O)c2)-c4oc(C)nn4	1
+c1cc(ccc1OCC)Oc2cc(ccc2)C(O)=O	6
+c1cc(ccc1N)Oc2cc(Cl)ncn2	0
+c1cc(ccc1F)Oc2cc(cnc2N)Sc3ncccn3	1779
+c1cc(ccc1Oc2cc(ncc2)-c3cc(C(NCCC(O)=O)=O)sc3)NC(Nc4cc(ccc4F)C)=O	4
+c1cc(ccc1Oc2c(cc3C(C(=O)O)(C)CCOc3c2)C#N)C(=O)NCCc4ccc(cc4)Cl	4
+c1ccccc1CCNCc2ccc(cc2)Oc3ccc(C(=O)N4CCCCC4)cn3	42
+c1cc(ccc1Oc2ncc(C(=O)O)cc2)C=O	6
+c1cc(ccc1Oc2cc(C(C)C)c(O)cc2)OCC	16
+C1CC(CCO1)c2ccc(cc2)Oc3c4CCC(c4c(cc3)F)Oc5ccc6c(c5)OCC6CC(OC)=O	191
+c1cc(ccc1Oc2ccc(c3cc(C(=O)OCC)n(C)c23)Cl)N	0
+c1cc(ccc1Oc2ccc(cc2)-c3nc(cc(n3)N(S(=O)(=O)C)CC(CO)O)C(N)=O)F	265
+c1cc(ccc1Oc2ccc(cc2)C)O	1437
+c1cc(ccc1C)Oc2ccc(c(CC=C)c2)O	423
+c1cc(ccc1CCNc2ncc(c(O)n2)Cc3cnc(nc3)OC)Oc4ccc(cc4)Cl	785
+c1cc(ccc1Oc2ccc(cc2)F)S(=O)(=O)NCCc3ccccc3O	5
+c1cc(ccc1F)Oc2cc3cnc(C(=O)OCCCC)c(c3cc2)O	11048
+c1ccccc1Oc2ccc(cc2)CCCC	165
+c1cc(ccc1)Oc2ccc(cc2)-c3c(C#N)c(N)n(C4CC5CC4CN5C(=O)OCc6ccccc6)n3	2356
+C1CC(CCN1)c2ccc(cc2)Oc3ccccc3	191
+c1cc(ccc1Oc2ccccc2)CCN(C3CCN(CC3)Cc4ccc(cc4)C(O)=O)C	1
+c1cc(ccc1Oc2ccccc2)NC(=O)CN3CCN(CC3)C(=O)c4ccc(cc4)C(=O)O	1
+c1cc(ccc1Oc2ccccc2)NC(=O)Nc3cc4c(cn(n4)CCC=O)cc3	571
+c1cc(ccc1)Oc2ccc(cc2)NC(Nc3cc4nc(Cc5ccccc5)n(c4cc3)CCN(C)C)=O	11049
+c1cc(ccc1Oc2c(N)cccc2)-c3cn(c4ncnc(N)c34)C(C)C	0
+c1cc(ccc1Oc2ccccn2)CO	49
+c1cc(ccc1Oc2ccccn2)C(=O)O	1
+c1cc(ccc1Oc2cc(ncc2)-c3csc(c3)C(=O)O)NC(Nc4cc(ccc4F)C)=O	1
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)Oc3ccnc(NC(CCC)=O)c3	90
+c1cc(ccc1O)Oc2nc(ncc2)NC	16
+c1cc(ccc1Oc2ccnc(NCCCO)n2)N	0
+c1cc(ccc1Oc2c3cc[nH]c3ncc2)O	16
+c1cc(ccc1Oc2ccnc3c2sc(C(=O)NCCCC(=O)O)c3)NC(Nc4cc(ccc4F)C)=O	3
+c1cc(ccc1N)Oc2ccnc3cc(OC)cc(c23)OC	0
+c1cc(ccc1Oc2ncc(cc2)C(N)=O)CN3CC(c4ccccc4)CCCC3	48
+c1cc(ccc1Oc2ncc3c(c2)ccc(Cl)c3)O	5
+c1cc(ccc1Oc2ncccc2)-c3nc(on3)-c4ccc(cc4)O	16
+c1cc(ccc1Nc2c3ccccc3c(nn2)-c4cc(cs4)C)Oc5c(cccn5)-c6nc(ncc6)N	1443
+c1cc(ccc1N)Oc2ncnc(N)c2	0
+c1cc(ccc1N)Oc2ncnc(Nc3cccc(OC)c3)c2	0
+c1cc(ccc1N)Oc2ncnc(SC)c2	0
+c1cc(ccc1Oc2ncnc3[nH]c(cc23)C(OCC)=O)N	0
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(C)C)c3[nH]c(C(=S)N)cc3c2	742
+c1cc2c(CCC(=S)N2)cc1Br	199
+c1ccccc1CC(NC(=O)c2nc3c(nc2)cccc3)C(OC(C)=O)CC(CCC(C)(C)F)C(N)=S	199
+c1ccccc1COC(NC(C)C(N)=S)=O	199
+c1ccccc1COc2cc(c(Br)cc2OC)NC(C)=S	199
+c1ccccc1COc2c(OCc3ccccc3)c(C(N)=S)ccc2	581
+c1nc(c2CN(C)C(=S)c3cc(ccc3-n12)F)C(=O)OCC	581
+n1ccnn1-c2ccccc2C(=O)N3C(CCC(C3)C(N)=S)C	199
+s1c(C)ccc1C(N)=S	11050
+c1cc(ccc1S(=O)(=O)C(c2cc(ccc2F)F)CCCCO)Cl	1000
+c1cc(ccc1C(O)CCl)-c2ccc(cc2)S(=O)(=O)C(F)F	74
+c1(F)cccc(F)c1C([N+]#[C-])S(=O)(=O)c2ccc(cc2)C	11051
+c1cc(ccc1S(=O)(=O)C)-c2cc(sc2-c3ccc(cc3)F)N	2415
+c1cc(ccc1S(=O)(=O)C)C(C(=O)Nc2cnc(cn2)CO)Cc3cc(F)ccc3	59
+c1cc(ccc1C(Cc2cc(F)ccc2)C(O)=O)S(=O)(=O)C	4
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3[nH]c(C(O)=O)cc3c2	6
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(cc(C4=NCC(S4)CC(=O)O)[nH]3)c2	3
+c1cc(ccc1S(=O)(=O)C)Oc2cc(c3c(c2)cc(C(OCC)=O)[nH]3)O	321
+c1cc(ccc1S(=O)(=O)C)Oc2cc3c(c(OC(C)C)c2)[nH]c(c3)C4=NCC(CCO)S4	44
+c1cc(ccc1Oc2ccc(cc2)S(=O)(=O)C)N	0
+c1cc(ccc1S(=O)(=O)CCCOc2c(c(c(cc2)C(C)=O)O)CCC)C(CCCCC(O)=O)=O	4
+c1ccc(cc1OC)CC2C(C#N)CCCC2	881
+C1CC(CCC12CCC(CC2)C#N)O	881
+c1cc(ccc1)COc2nn(cc2CC#[N+]CS(=O)(=O)c3ccc(cc3)C)C	5067
+c1cc(ccc1S(=O)(=O)Cc2c(C)oc(-c3ccc(cc3)C(=O)NCc4cnccn4)n2)C	14
+c1cc(ccc1S(=O)(=O)Cc2c(C)oc(-c3ccc(cc3)C(O)=O)n2)C	1
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)c3ccncc3)Cl)C4(CCOCC4)C	69
+O=S(=O)(Oc1cc2c(cc1)nc(Nc3cc(c(cc3)OC)OC)n2Cc4ccccc4)c5ccc(cc5)F	681
+c1cc(ccc1S(=O)(=O)Nc2nncs2)NC(=O)C	1140
+O=S(=O)(Nc1ccccc1C(c2ccccc2)=O)c3ccc(cc3)NC(c4ccccn4)=O	69
+c1cc(ccc1Cl)S(=O)(=O)N(C(C(O)=O)=C)C	127
+c1cc(ccc1S(=O)(=O)N(Cc2ccc(cc2)C(=O)O)C3CCCC(C)C3)Cl	1
+c1cc(ccc1S(=O)(=O)N(C2CCc3c(n4ccccc4c3C2)CC(=O)O)C)F	3
+O=S(=O)(N(CC(C)C)CC(=O)OCC)c1ccc(cc1)O	5
+c1cc(ccc1)C(c2ccccc2)C(Nc3ccc(cc3)S(=O)(=O)N(CC)CC)=O	33
+c12c(C(=O)N(C1=O)CCCN(S(=O)(=O)c3ccc(cc3)C)CC(F)(F)CCO)cccc2	118
+c1cc(ccc1S(=O)(=O)N)-c2cc(ccc2OC)-c3c(c(C)c(C(O)=O)s3)C	1
+C1COCCC1n2nc(c3c(nccc23)O)-c4ccc(cc4)S(=O)(=O)N	104
+c1cc(ccc1S(=O)(=O)N)C(=O)C=Cc2cc(-c3[nH]c4ccccc4c3)c(OC)cc2OC	2292
+c1cc(ccc1-c2c(ncnc2Cl)NS(=O)(=O)c3ccc(cc3)OC)OC	570
+c1cc(ccc1S(=O)(=O)N2CCC(=O)C2)C#N	86
+c1cc(ccc1S(=O)(=O)N2CCC(CC2)(F)C(=O)O)C	3
+c1cc(ccc1CN)S(=O)(=O)N2CCCCC2	107
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)OC)Cc3nc(O)c4c(cccc4)n3	1677
+C1CN(CCO1)S(=O)(=O)c2ccc(cc2)C=Cc3ccc(OCOC)c(O)c3	241
+c1cc(ccc1S(=O)(=O)N2c3c(N)cccc3CC2)OC	562
+c1ccccc1C(Nc2cccc3CCN(S(=O)(=O)c4ccc(cc4)OC)c23)=O	50
+c1cc(ccc1N)S(=O)(=O)N2c3ccccc3SC(C=C2)CCO	106
+c1cc(ccc1-c2ccc(cc2)COc3c(cc4ccccc4n3)C)S(=O)(=O)NC(C(C)C)C(O)=O	4
+c1cc(ccc1CC(OCC)=O)NC(C(Cn2cncc2)NS(=O)(=O)c3ccc(cc3)F)=O	11052
+O=S(=O)(c1ccc(cc1)Cl)NC2CCCCCC2CO	88
+c1cc(ccc1)CCN2CCC(CC(C)C)(C(CNS(=O)(=O)c3ccc(cc3)OC)C(=O)NO)C2=O	1697
+c1cc(ccc1S(=O)(=O)NCC2=CC(=O)C(=CO2)O)C	2306
+c1cc(ccc1S(=O)(=O)NCC2Cc3c(cc(cc3)CCC(=O)O)C2)Cl	3
+c1cc(ccc1S(=O)(=O)NCC2Cc3c(cc(cc3)CCC(=O)OCC)C2)Cl	159
+c1cc(ccc1S(=O)(=O)NCCCCCCC(C)(C)C(=O)O)Cl	3
+c1cc(ccc1S(=O)(=O)NCCc2cc(CCC(=O)O)cc(c2)Cc3ccc(cc3)F)Cl	3
+c1cc(ccc1S(=O)(=O)NCCc2n(C)c(CC(O)=O)cc2)F	3
+C1COCCN1CCCc2ccc(cc2)S(=O)(=O)NCc3ccc(cc3)C(=O)Nc4cccnc4	213
+c1cc(ccc1S(=O)(=O)Nc2cc(F)c(cc2F)C(O)=O)-c3cnc(nc3)C4CCOCC4	1
+c1cc(ccc1S(=O)(=O)Nc2c(F)cc(cc2F)F)C(O)=O	1
+O=S(=O)(c1ccc(cc1)N)Nc2cc(Br)nc(c2)Br	106
+O=S(=O)(c1ccc(cc1)N2CCOCC2)Nc3ccsc3C(O)=O	1
+c1cc(ccc1C(=O)C=Cc2cc(-c3[nH]c4ccccc4c3)c(OC)cc2OC)S(=O)(=O)Nc5ncccc5	2292
+c1cc(ccc1N)S(=O)(=O)Nc2nncs2	106
+c1cc(ccc1S(=O)(=O)OC(C)COc2c(N)ccc(c2F)F)C	0
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)OCC(=O)O	3
+C1(c2c(C(=O)N1CC3COCC3)cccc2)=O	2140
+CC1(C)OC(Cn2ncc([N+](=O)[O-])c2)CO1	4811
+c1cc(ccc1S(=O)(=O)OCC2Oc3cc(ccc3OC2)O)C	5
+c1cccc2[nH]cc(C=3CCN(CC=3)CC4COc5c(O4)c6c(nc(cc6)C)cc5)c12	11053
+c1cc(ccc1[N+](=O)[O-])OCCOCCOCCOC	450
+c1ccccc1COCCOCCOCCOCCOCCOCCOCCOCCOCCOC	1117
+c1cc(ccc1O)S(=O)(=O)ON=C(C#N)c2cccs2	173
+O=S(=O)(c1ccc(cc1)CN)c2ccccc2	107
+O=S(=O)(c1ccc(cc1)Br)n2c3ccccc3cc2C=O	178
+c1cc(ccc1C)S(=O)(=O)n2c(cc3c(ccnc23)CNCCc4cncn4C)-c5c6c(cc(OC)c(n6)OC)n(C)c5	42
+C1CN(CCO1)CCn2cc(c3nc(c(OC)cc23)OC)-c4[nH]c5ncccc5c4	392
+c1cc(ccc1C)S(=O)(=O)n2c3c(c(C(C)C)c2)cc(Br)cn3	11054
+C1C(C)OC(CN1Cc2nnc(-c3cc(cc4c3cnn4S(=O)(=O)c5ccc(cc5)C)Br)o2)C	1705
+c1cc(ccc1S(=O)(=O)n2c3c(c(c2)C4C(CC=O)C4)cc(C#N)cc3)C	24
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(C#N)ccc23)C4CC4C=C)C	2142
+C1CCCC1NC(=O)C(CC#N)N2Cc3c4c(ncc3Cl)n(cc4C2=O)S(=O)(=O)c5ccc(cc5)C	11055
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(O)c(OC)cc45)C)C	16
+C1CN(CCO1)CCOc2cc3n(C)cc(-c4cc5cccnc5[nH]4)c3cc2OC	392
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(cnc23)-c4cccnc4)C(=O)c5cccc(N)c5)C	0
+c1cc(ccc1S(=O)(=O)n2cc(c3c2cccc3-c4nc5c(CNCC5)c(OC)n4)C)C	25
+c1cc(ccc1S(=O)(=O)n2c3c(cc2)C(c4c(c(N)c(N)cc4)Oc5ccc(cc5F)F)=CN(C3=O)C)C	0
+c1c(ccc(Oc2c(ccc3[nH]nnc23)C=4c5c([nH]cc5)C(N(C)C=4)=O)c1F)F	4061
+c1cc(ccc1Nc2nc(Nc3cc4c(cc3)c[nH]n4)c5c([nH]cc5)n2)N(C(=O)C)C	392
+c1cc(ccc1C)S(=O)(=O)n2cnc(C(c3cc4c(cc(C(=O)NC)cc4)cc3)=O)c2	5061
+c1cc(ccc1C2N(CCC2)CCc3c(C)n[nH]c3C)C=CC(=O)OC	11056
+c1cc(ccc1S(=O)(=O)n2ncc3c(cc(cc23)Br)C(=O)O)C	1
+C1COCCN1Cc2oc(-c3cc(-c4c5c(ccc4)[nH]cc5)cc6c3c[nH]n6)nn2	3119
+c1cc(ccc1S(=O)(=NCCO)C)C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O	44
+c1cc(ccn1)-c2c(-c3ccc(cc3)S)nc4CCCn24	5087
+c12c(cccc1)C(=O)N(C2=O)CCCCCC(c3cc(c(OC)cc3)OC)(Sc4ccc(cc4)C)C#N	1656
+OB(O)c1ccc(cc1)SC	493
+c1cc(ccc1Cc2ccccc2OCc3ccccc3)SC	452
+c1cc(ccc1CC(=O)c2ccc(cc2)C)SC	11057
+c1cc(ccc1Cc2c(nc(NC(C)=O)s2)C=O)SC	11058
+c1cc(ccc1Oc2ccc(cc2)[N+]([O-])=O)SC	415
+c1c(cc2c(C)csc2c1)Br	3148
+C1(=O)c2ccc(C(=O)O)cc2Sc3ccc(cc13)C	358
+c1c(C)ccc2Sc3cccc(c3C(=O)c12)C(=O)O	358
+c1cc(ccc1Sc2ncc(cc2)N)CCC(=O)OC	13
+c1cc(ccc1Cl)Sc2ccc(cc2)CCC(=O)OC	159
+c1cc(ccc1Sc2c(cc(C)cc2)N)O	0
+c1cc(ccc1Sc2ccccc2)CCCC(O)=O	165
+c1cc(ccc1)Sc2cc3c(cc2)CCCC3=O	214
+c1cc(ccc1C(=O)c2nc(Cl)c3c(scc3)n2)F	2329
+c1cc(ccc1OC)C(c2cc(ccc2OCc3ccccc3)OC)O	704
+c1cc(ccc1Oc2ccccc2)-c3c(C#N)c(Cl)cc(-c4ccc(cc4)N)n3	0
+c1cc(ccc1N)-c2cc(n3nccc3n2)NCc4c(cc(cc4)Cl)Cl	0
+c1cc(ccc1-c2nc3ccc(cn3c2)I)N	0
+c1cc(ccc1-c2nc(-c3c(C)sc(c3)C(=S)OC)sc2)N	0
+C12COCC(CC1)N2c3nc(-c4ccc(cc4)N)nc(NC(C)C)c3	0
+c1cc(ccc1N)-c2nc(c(cn2)OC)N3CCOCC3	0
+c1cc(ccc1N)-c2ncon2	0
+c1cc(ccc1-c2n(nnn2)C)N	0
+c1cc(ccc1N)-c2occ(-c3cc(Cl)ccc3)n2	0
+c1cc(ccc1N)C(N(C)C)=O	0
+c1cc(ccc1N)C(NCCCn2ccnc2)=O	0
+c1cc(ccc1C(C(OCC)=O)=O)N	0
+c1cc(ccc1C(C)(C)CN)[N+](=O)[O-]	51
+c1cc(ccc1N)C(C)(C)C#N	0
+c1cc(ccc1[N+]([O-])=O)C2OC2	3146
+c1cc(ccc1[N+](=O)[O-])-c2cn3c(ccc(c3)I)n2	440
+c1ccccc1-c2nc(-c3ccc(cc3)[N+](=O)[O-])no2	2304
+c1ccccc1COC(c2ccc(cc2)[N+](=O)[O-])=O	470
+c1cc(ccc1Cc2cc3CC(Nc3cc2)=O)[N+]([O-])=O	394
+c1cc(ccc1N)C2(C(=O)c3c(cc(Cl)cc3NC2=O)Cl)C	0
+C1CS(=O)(=O)CCC1(c2ccc(cc2)N)C#N	0
+c1cc(ccc1N)C23CN(CC2C3)C(C)=O	0
+c1cc(ccc1C2=CC(c3c(O2)ccc(c3)OC)=O)N	0
+c1cc(ccc1C2=CC(c3c(ccc(Br)c3)O2)=O)N	0
+c1cc(ccc1C=2c3cc4c(OCO4)cc3CC(=O)NN=2)N	0
+c1cc(ccc1C=Cc2cnc(OCCOCCOCCO)cc2)N	0
+c1cc(ccc1CN2c3c(NC4C(CCC4)C2=O)cccc3)N	0
+c1cc(ccc1N)N2C3CCN(C)C3CC2	0
+c1cc(ccc1NC(N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2)=O)N	0
+c1cc(ccc1NS(=O)(=O)C)N	0
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(=O)Oc2ccc(cc2)[N+](=O)[O-]	385
+c1cc(ccc1[N+](=O)[O-])OC(=O)C(C)=Cc2c(cccc2)N	11059
+c1cc(ccc1)COc2cc3nccc(Oc4ccc(cc4)[N+](=O)[O-])c3cc2	242
+c1ccccc1COc2c(cc3c(nccc3Oc4ccc(cc4)[N+]([O-])=O)c2)C#N	242
+c1cc(ccc1OC(=O)N(C)c2ccccc2)[N+]([O-])=O	2047
+c1cc(ccc1Oc2cc(Cl)ncn2)[N+]([O-])=O	185
+c1cc(ccc1OCCOCCOCCOC)N	0
+c1cc(ccc1[N+](=O)[O-])OCCOCCOCCOCCN	18
+c1cc(ccc1N)Oc2c3c(cc(OCC(O)C)cc3)ncc2	0
+c1cc(ccc1Oc2cc(OC)c(C)cc2)N	0
+c1cc(ccc1N)Oc2ccc(C)c(NC(c3cccc(C(C)(C)C#N)c3)=O)c2	0
+c1cc(ccc1N)Oc2ccc3COCc3c2	0
+CC(C)C(NC(c1ccc(-c2ccc(cc2)N)cc1C)=O)C(OC)=O	0
+c1cc(ccc1[N+]([O-])=O)-c2ccc(c(c2)C)C(O)=O	1
+c1cnccc1-c2ccc(cc2)N	0
+c1cc(ccc1Cc2ccc(cc2)[N+]([O-])=O)F	394
+c1cc(ccc1C(C(=O)O)C)N	0
+c1cc(ccc1[N+]([O-])=O)C(CO)CC	21
+c1cc(ccc1C(c2ccc(cc2)Cl)c3sccn3)N	0
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)N	0
+C1C(=O)NC(CC1c2ccc(cc2)N)=O	0
+c1cc(ccc1N)C2C(C2)C(=O)O	0
+C1CC1(c2cccc(c2)C(C)C)N3C(=O)OC(C3)C(NC(=O)C)Cc4ccc(cc4)N	0
+c1cc(ccc1CCN2C(=O)OCC2)N	0
+c1cc(ccc1[N+]([O-])=O)CCN2C(=O)OCC2	11060
+c1cc(ccc1N)CCS(=O)(=O)N(C)C	0
+c1cc(ccc1N)CN(C2CCN(CC2)CCC(C)C)C(=O)c3ccc(cc3)CCCCC	0
+c1cc(ccc1N)CN2C(CCc3c(ccc(OC)c23)CC4SC(NC4=O)=O)=O	0
+c1cc(ccc1[N+]([O-])=O)CN2C(CCc3c(ccc(OC)c23)CC4SC(NC4=O)=O)=O	534
+N(C=O)c1scc(C(=NOCCCC)C(=O)NC2C(=O)N3C2SCC(Cl)=C3C(=O)O)n1	1783
+c1cc(ccc1[N+]([O-])=O)COC(=O)C=2N3C(SCC=2O)C(C3=O)N	5093
+O=C(NC1C(N2C1SCC=C2C(=O)O)=O)C(=NO)c3csc(N)n3	1783
+C1CC(CCC1)ON=C(c2nc(NC=O)sc2)C(=O)NC3C(=O)N4C3SCC=C4C(O)=O	1783
+N(C=O)c1scc(C(=NOCC(OCC)=O)C(=O)NC2C(N3C2SCC=C3C(=O)O)=O)n1	1783
+c1cc(ccc1[N+]([O-])=O)COC(C=2N3C(SCC=2)C(N)C3=O)=O	5093
+CC(C)CON=C(C(NC1C(=O)N2C1SCC=C2C(O)=O)=O)c3csc(NC=O)n3	1783
+c1cc(ccc1Cc2c(c(ccc2)Cl)Cl)N	0
+c1cc(ccc1N)Cc2cn(C)c3ccc(C(=O)OC)cc23	0
+c1cc(ccc1N)Cc2nc(C)c(CC(OC)=O)c(n2)N3CCCC3	0
+c1cc(ccc1[N+]([O-])=O)Cn2c3c(cc(Br)cc3)cc2C(=O)OCc4ccccc4	470
+c1cc(ccc1[N+]([O-])=O)Cn2c(C(=O)O)cc3cc(ccc23)Br	6
+c1cc(ccc1N)Cn2c3c(c(n2)CC(=O)OC)cccn3	0
+c1cc(ccc1[N+]([O-])=O)-c2ccncc2	2036
+c1cc(ccc1N(C(=O)CC)C)N	0
+c1cc(ccc1N)N(C)c2nc(C)nc3c2cccc3	0
+c1cc(ccc1N2CCN3C(CCC(COc4ccc(cc4)F)C3)C2)N	0
+c1cc(ccc1N2CCC(N)C2)[N+]([O-])=O	524
+c1cc(ccc1N)Nc2nc(c(cn2)Br)Nc3ccccc3	0
+c1cc(ccc1OC(C)C(=O)O)[N+]([O-])=O	4
+c1cc(ccc1N)OC(C)CCN2CCOCC2	0
+c1cc(ccc1OC(F)(F)C)N	0
+c1cc(ccc1OCC2(Oc3cc(Cl)c(cc3C(C2)=O)OC(C)=O)C)N	0
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(O)=O	4
+c1cc(ccc1OCCCN(C)Cc2nc3ccccc3nc2)[N+]([O-])=O	183
+c1cc(ccc1OCCOCOCCOC)N	0
+c1cc(ccc1N)Oc2c(ccc(F)c2)F	0
+c1cc(ccc1N)Oc2c3ncn(C4OCCCC4)c3ncn2	0
+c1cc(ccc1Oc2cc(C(=O)O)ccc2)N	0
+c1cc(ccc1[N+]([O-])=O)Oc2cc(C(=O)O)ccc2	6
+c1cc(ccc1Oc2cc(ccc2)C(NC)=O)N	0
+c1cc(ccc1N)Oc2ccc(cc2)-c3occn3	0
+c1cc(ccc1N)Oc2cccc(S(=O)(=O)NC)c2	0
+c1cc(ccc1N)Oc2ccnc(C(=O)NCC3CC3)c2	0
+c1cc(ccc1Oc2ccnc(NC(CCC)=O)c2)N	0
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)Nc2c(cccc2)Cl	69
+c1ccccc1-c2cc(ncn2)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O	2165
+O=S(=O)(c1ccc(cc1)N)N2CCC(C)(C)CC2	0
+c1cc(ccc1S(=O)(=O)Nc2c(cccc2)Cl)N	0
+c1cc(ccc1SCCCCl)N	0
+c1cc(ccc1SCCc2ccccc2)N	0
+c1cc(ccc1-c2ccc3nnc(n3c2)Sc4ccc(cc4)N)F	0
+C[Si](C)(c1ccc(cc1)Cl)Cn2ccnc2	11061
+c1cc(ccn1)-c2c(-c3cc(O)c(Cl)cc3)[nH]c(C(C)(C)CNCc4ccccc4)n2	42
+C1CC(CCN1)c2c3c(OC(C3)COC)c(cc2C)N	1413
+c1cc(ccn1)-c2c([nH]c(C(C)(C)CN)n2)-c3cc(O)c(Cl)cc3	5
+c1cc(ccn1)-c2sc3C(NC(c4ccccc4)Nc3c2)=O	11062
+c1cc(ccn1)-c2sc(c(c2)NCCCC)C(=O)O	1
+c1cnccc1-c2ccc(c(c2)C=O)O	5
+c1cc(ccn1)-c2cc(c(N)nc2-c3cc(F)ccc3)N	13
+c1cc(ccn1)-c2cc(c(s2)C(O)=O)N	1
+c1cc(ccc1CN2C(=O)C(=CC=C2)O)-c3ccncc3	2285
+c1cc(ccn1)-c2c(nn(c2)C3CCN(CC3)C)-c4c(c(NS(=O)(=O)c5c(F)ccc(c5)F)ccc4)F	11063
+c1cnccc1-c2nc(Oc3c(C)cccc3)c(cn2)C(OCC)=O	185
+c1cc(ccn1)-c2c(-c3ccc(c(O)c3)N)c4nccc(n4n2)C5CC6CCC(C5)N6CC	5
+c1cc(ccn1)-c2sc(c(c2)NCC)C(=O)O	1
+c1cc(ccn1)C#Cc2ccc(cc2)O	5
+c1cnccc1-c2nc3cnc(nc3o2)Cl	11064
+c1cnccc1C(C)(c2sc(-c3cnc(F)cc3)nc2)O	5089
+c1cc(ccn1)C(C)C(Cn2ncnc2)(O)c3ccc(F)cc3F	1377
+c1cc(ccn1)C(O)Cn2c3c(CNCC3)c4cc(ccc24)C	1569
+c1cc(ccn1)-c2oc3c(n2)cc(cc3)OC	3137
+c1cnccc1C=2N=C(N3CC(OCc4ccccc4)CC3)N(C(=O)C=2)C	2803
+c1cnccc1-c2cc(nnc2-c3ccc4ccccc4c3)O	11065
+c1cc(ccn1)C=Cc2cc(ccc2)Nc3ncccc3N	13
+c1cc(ccn1)C=Cc2cc(ccc2)N	0
+c1cc(ccn1)C=Cc2cccc(N3c4ncccc4N=C(Cc5cnccc5)C3=O)c2	5048
+c1cnccc1CCc2ccc3c(c2)ccc(n3)NCc4c(OC)cccc4	1442
+c1cc(ccn1)CCc2c3cc(N)ccc3[nH]c2	0
+c1cc(ccn1)CN2C(COc3ccc(cc3)Cc4ccccc4)CCC2	171
+c1cc(ccc1)CN2CCC(CO)=CC2	11066
+c1cc(ccn1)N2CCC(CC2)C(Nc3ccc4[nH]nc(-c5[nH]c6ccccc6n5)c4c3)=O	804
+c1cc(ccn1)NC(c2cccc(N)c2)=O	0
+c1c(F)c(c(cc1OCC)F)Cn2c3c(c(-c4ncc(c(n4)Nc5ccncc5)O)n2)CCC3	3167
+c1cc(ccn1)OCCOc2c(cc(C(=O)N)c(N)c2)OC	0
+c1cc(ccn1)S(=O)(=O)c2c(OC)cc(N)cc2	0
+c1cc(ccn1)Sc2cnc(s2)N	1176
+c1cc(cn2C(c3c(N=c12)sc(CC)c3)=O)C#N	1014
+c1cccc2c1snc2NCCNC(c3ccc(cn3)C(=O)OC)=O	81
+c1ccccc1Cc2nnc(N3CCN(c4ncc(cc4)C#N)C(C)C3)c5ccccc25	43
+C1CC(CCN1Cc2ccccc2)Nc3ncc(C(=O)OC)cc3	70
+c1cc(nc(Cl)c1OCOC)C#N	331
+C(c1ccc(-c2cc(F)ncc2)nc1)NC(=O)c3ccc(N4C(=O)C=CC=C4)cn3	5092
+c1cc(CCN)ncc1Br	51
+c1cc2cnc(CCC(OCC)=O)n2cc1Br	5094
+c1cc(ncc1Br)NC(c2cccc(O)c2N)=O	0
+c1cc(ccc1)CN(CCCN)c2ccc(Br)cn2	5045
+c1c(C)c(c(cc1Oc2cnc(OCCOC)cc2)C)-c3nc(NC(c4ccncc4)=O)sc3	706
+c1cc(ccc1-c2ccccc2)COCc3cnc(Cl)cc3	149
+O=Cc1ccc(nc1)NCc2ccncc2Cl	200
+c1ncncc1Oc2cc(nc(c2)C(=O)Nc3ccc(F)cn3)C	4760
+C(c1ccc(nn1)Cl)CCCn2nncc2	587
+C1CN(CCC1Nc2nnc(cc2)Cl)Cc3ccccc3	232
+n1nc(ccc1-n2ccnc2)Cl	11067
+c1cc(nnc1C#CCCn2nncc2)Cl	4147
+c1cc-2c(cc1)C(c3ccccc-23)C(=O)NCC(=O)NC(C4=Nc5cccc(c5C(=O)O4)C)C(C)C	3273
+c1cc-2c(cc1)C(c3ccccc-23)C(=O)NCC(=O)O	4
+c1cc2C(C#N)CCCc2c(N)c1OC	0
+c12c3c(ccc1[nH]c4c2cccc4)C(CC3)=O	1223
+c1cc2CC(CCc2cc1C3CC4(COC(N4)=O)CC3)CO	21
+c1cc2CC(C(=O)O)CCc2cc1C3CC4(COC(N4)=O)CC3	4
+c1cc2CC(Cc2cc1OC)COC	21
+C1c2c(CC1CO)ccc(c2)OC	88
+c1cc2CCC(NC(OCC)=O)C(c2cc1O)Cc3cc(c(cc3)Cl)Cl	5
+c1c2c(cccc2)[nH]c1CNC	729
+O=S(=O)(n1c2c(cccc2)cc1C(=O)OC)c3ccccc3	367
+c1cc2[nH]c3c(ccnc3C)c2cc1-c4cc(ccc4)CN	107
+c12cc(ncc1ccc(c2)F)C(=O)OC	11068
+c1cc2c(CCC(NCCC)C2)c(N)c1OC	15
+c1cc(c2cccc(c2c1)F)O	5
+O=C(c1ccc2c(OCCO2)c1[N+](=O)[O-])O	6
+c1(c(c2c(cc1)nc(C)cc2)Br)O	5
+c1cc(ccc1)CN2N=C(Cl)c3ccccc3C2=O	11069
+c1cc2c(cc(Br)cn2)cc1CO	88
+C(c1cc(Cc2ccc3c(cc(cn3)C#N)c2)ncc1)(=O)O	1
+c1cccc2c1Oc3ccccc3C2(C)CN	273
+c1cc2c(N(CC3CCCCCN23)CCN)cc1	15
+c1cc2c(nc(c(c2cc1)O)C(=O)O)Cl	5095
+c1ccc2c(c(Cl)nc(C)c2N)c1	13
+[nH]1c(C=O)cc2c1cccc2	178
+c1cc2c3c(cccc3)n(c2cc1)CCCP(O)(OCC)=O	228
+C(c1cc2c(cc1)OCCO2)O	217
+c1(C=O)cc2c(ncnc2cc1)Cl	39
+c1cc2c(cc1I)ncc(n2)C(=O)O	6
+c1ccccc1COc2cc3c(cc2)ccc(C#N)c3	22
+c1cc2c(ccc(NC(C)=O)n2)cc1CCN	51
+c12ccc(c([N+]([O-])=O)c1ccc(c2)C=C)O	5
+c1cc2c(cccc2)nc1COc3cc(c(cc3)NCc4cc(ccc4)Br)N	0
+c1cc2c(csc2cc1F)N3CCCN(CCCCN)CC3	51
+Nc1cccc2ccc(Cl)nc12	13
+c1cc(ccc1)CCNCC(COc2cccc(-c3c4ccc(cc4on3)F)c2)O	122
+c12c(cc(C#N)cc1)c3c(c(c(cc3)O)C(C)CC)o2	5
+c1cc2c3ccccc3n(c2cc1)CCCP(O)(O)=O	228
+c1(C2C(c3c4ccccc4[nH]c3)C(=O)NC2)cn5c6c(CCC5)cccc16	1781
+c1cc2cc[nH]c2cc1C3C(C=O)C3	378
+c1c2c(c([N+](=O)[O-])c(OCOC)c1)nc(CO)cc2	453
+c1cc2cnc(CCCO)n2cc1Br	44
+c1(C(C(C)N)Oc2cc3c(cc2)n(-c4cccnc4)nc3)ccc(nc1)OC	669
+c1cc2n(C3CCCCO3)nc(C=O)c2cc1I	2231
+n1c(-c2cccc(c2)C)c(c3cccc(n13)Cl)C(C#C)=O	2344
+c1(C(C(C)N)Oc2cc3c(cc2)n(nc3)-c4cccc(c4)Br)ccc(nc1)OC	669
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nc(C)no4)c2-c5ncccc5)F	40
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nnc(o4)C)c2-c5ncccc5)F	40
+c1(C=O)ccc2nc(SC)sc2c1	39
+c1(C=O)cc2c(cc1)nc(o2)C	39
+c1c2cccnc2ccc1C(c3n(C)cnc3)(c4ccc5nc(nc(-c6cc(ccc6)Cl)c5c4)Cl)O	11070
+c1(C=O)cc2nc(C)sc2cc1	39
+c1cc(ccc1)S(=O)(=O)n2cccc2	917
+c1ccc(c(Cl)n1)-c2c(-c3cccnc3Cl)ncs2	2190
+C(c1cnn(c1)CCF)#Cc2cc(-c3cccnc3F)ccc2	1249
+Nc1cc(C(C)Nc2cccc(Br)n2)ccc1	0
+c1cc(ccc1)COC(NCC(=O)Nc2c(cccc2)C(=O)OC)=O	33
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(c(C#N)n(C)n3)C)c1N4N=NN(C4=O)C	331
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(C)c(C(O)=O)n(C)n3)c1N4N=NN(C4=O)C	6
+c1c2c(CCN2)c(C)cc1	931
+c1ccc(C=C(C(=O)O)C)c(N)c1	108
+n1cc2ccc(nc2c(Br)c1)C(NCc3occc3)=O	81
+c1c(c(ccc1)Cl)Nc2ncnc(Cl)c2N	73
+Clc1c2CCCCc3c(-c2ccc1)cccc3	165
+c1cc(ccc1)-c2c3c(N(C)C(=O)N(C)C3=O)cn2-c4c(cccc4)N	4866
+C1C(CC1C(Nc2ccccc2N)=O)OCc3ccccc3	33
+c1ccccc1S(=O)(=NC(c2cncc(C#Cc3cc(NC(c4sccc4)=O)ccc3)c2)=O)C	1240
+c1(C(OC)=O)c(c(Nc2ccc3OCOc3c2)ccc1)C(O)=O	1
+Oc1c(NC(c2cn3nc(sc3n2)CC)=O)cccc1	466
+C=1COc2cccc(C(=O)OC)c2C=1	1318
+Nc1ccccc1Sc2c(C#N)cccc2	0
+c1(C(=O)O)ccccc1Sc2ccccc2N	0
+c1ccc([N+]([O-])=O)c(Sc2c(C#N)cccc2)c1	274
+c1ccc(N)c2c1n(nc2C)Cc3cccc(C)n3	0
+c1c(N)cc(cc1)OCC(=O)O	0
+c1c(N)cc(cc1)OCC2CO2	0
+c1c(N)cc(cc1)OCOC	0
+c1(C(OC)=O)c(C(O)=O)c(Nc2ccccc2OC)ccc1	1
+s1c(-c2ncc(cc2)C)nc3ccccc13	11071
+c1(c(F)cccc1)C(c2c(F)cccc2)Oc3c(cc(cc3)N)C(=O)OC	0
+CCC(CC)(c1oc2c(ccc(c2)OCc3ccccc3)c1)c4ccc(O)c(C)c4	11072
+c1cc(ccc1)COc2c(C(Nc3c(C)cccc3)=O)cc(c(OCc4ccccc4)c2)Br	50
+c1cc(C)c(Nc2nc(nc3nccnc23)-c4cc(ccc4F)Br)cc1	3871
+c1(cccc2c1CCN2)-c3noc(-c4cnc(cc4)CCC)n3	931
+Nc1cc2c(cc1OCC)ncnc2Nc3cccc(C#C)c3	0
+c1(CCl)oc(nn1)-c2cc(ccc2)C#N	1705
+c1cc(ccc1)C(c2ccccc2)CN(Cc3cccc(C(F)(F)F)c3Cl)CCCOc4cccc(C(=O)OC)c4	20
+c1c(cccc1Cl)C2(c3cc(ccc3)Cl)C4C(CNC4)C(CC2)=O	25
+c1ccc(cc1CCn2nc(cc2N)C)C=3C=CC(=O)N(Cc4cc(C(=O)OC)ccc4)N=3	161
+C(c1cc(ccc1)OCC)C(=O)O	4
+CNCc1cc(ccc1)OCSC	1172
+c1c([N+]([O-])=O)cc(cc1)Cc2cn(c3ccccc23)CCCC(OCC)=O	11073
+n1cc(cc(Br)c1)C=Cc2cccc(N)c2	0
+c1c(C=Cc2cccc(N)c2)cccn1	0
+c1c(nc(C#N)cc1)-c2nc(ccc2)C(=O)O	1
+n1c(-c2cccc(C(OC)=O)n2)cccc1CN	421
+CC(C)=C(C(OC)=O)N1C(CC=C)C(C1=O)N	1955
+c1ccccc1COC2C(CCC2)N	45
+c1ccccc1C=2c3c4c(OC(C)(C)C4)c(cc3CC(CN)(C)N=2)OCC	45
+c1cc(ccc1C#N)Nc2nc(c(cn2)C#CCCCN)NCCC	45
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3c4ccccc4C5(COc6cc7OCOc7cc56)C3=O	20
+C1CC(CCN1CCCN)OC	45
+C1CCCCCN1CCCN	45
+c12OCOc1cc3C4(C(N(c5c4cccc5)CCCN)=O)COc3c2	45
+C(CN)Cc1cc(ccc1)C(=O)N	45
+c1cc(ccc1CCCN)CCc2nc(NC(=O)C)sc2	45
+c1cnccc1CCCN	45
+c1cc(ccc1Nc2ncnc(c2)-c3cc(ccc3)-c4ccccc4)N(CC)CCN	45
+c1n(CCN)cc(n1)C(=O)OC	45
+c12c(cccc1)C(=O)N(C2=O)c3c(N)cccc3	0
+Cc1c(-c2ncccc2)nc(cc1)N	1131
+Clc1cc2C(CCCN(C(c3cnc(cc3)NC(c4c(cccc4)Cl)=O)=O)c2cc1)CCN	45
+c1ccccc1-c2c(ncn2CCN)-c3ccccc3	45
+c1ccc2c(OCc3c(cccc3)C2C(C=O)CC=C)c1	24
+c1ccc2c(OCc3c(C2C(CCC)CNC)cccc3)c1	732
+c1ccc2C(C(CC=C)CO)c3c(cccc3)COc2c1	95
+c1ccc2c(c1)CC(C2)(C(=O)O)C	4
+c1cccc2CCC=3CC=CCC=3C(c12)CCO	11074
+c1ccc2CN(Cc2c1)C(c3c4c(nc(n3)N)ccc(C5(CCC5)C(O)=O)c4)=O	3
+C1(c2c(C(=O)N1C(C)(C)Cc3n4c(c(OCC(=O)OCC)ccc4)cn3)cccc2)=O	5094
+Clc1cccc(c1)C(N)Cc2ncccc2	45
+c1ccccc1COC(C(ON)Cc2ccccc2)=O	670
+C1(c2ncccc2CCC1)NCc3nc4c([nH]3)cccc4	2049
+c1ccc2c(c(C(O)=O)sc2c1)N	1
+c12c(cccc1)C(=O)N(C2=O)C(C#N)(CCCCO)CF	118
+N(C1COC2C(COC12)N)c3nc(ncc3Cl)Nc4cn(nc4)C	45
+C1(=O)c2ccccc2C(=O)N1C3Cc4c5cc(C#N)ccc5n(Cc6nc(F)ccc6)c4C3	11075
+c1ccccc1CC(N(Cc2c(cccc2)C(=O)O)S(=O)(=O)c3ccccc3OC)CN	45
+O=S1(=O)N(CC(CN)C1)CC	45
+C1C(C)N(C(CO1)C)CCN	45
+N1(CCCC1=O)CCCn2c(CCOC)nc3c(N)nc4ccc(cc4c23)CCN	45
+c1cccc2CCC(CO)Cc12	647
+Cn1c2c(cccc2)c(c1)C3C(C(=O)N(C)C3=O)c4c5ccccc5[nH]c4	11076
+Nc1cccc2c1ccc(n2)NC3CCc4ccccc34	0
+c12cccc(OC)c1cccc2N	0
+c1(O)ccccc1C(c2sc3ccccc3n2)=O	241
+c1ccc2c(sc(C(c3c(OCOC)cccc3)=O)n2)c1	11077
+c1ccccc1C(O)c2cc3c(cccc3)s2	2991
+c1ccc2cc(sc2c1)-c3cc(cc4c[nH]nc34)C(=O)O	1
+c1ccccc1C(c2cc3ccc(cc3c(c2)CCCNC(=O)C)OC)=O	222
+c1cccc2C(=O)N(C(=O)c12)CCCCCOCc3c4ccc5c6c(ccc(c46)cc3)ccc5	966
+n1c2c(cccc2N)ncc1	13
+c1cccc(-c2c(Cl)cccc2O)c1Cl	5
+c1cccc(-c2cc(N)cc(C(=O)OC)c2)c1OC	0
+n1cccnc1N2CCC(CC2)NC(=O)c3cnc(cc3)-c4ccccc4O	56
+c1cccc(-c2ccc(C(=O)O)cn2)c1O	1
+c1(c(OC)cccc1)C2CCCNC2	1446
+c1cccc(-c2cnc(CCCCC(=O)O)o2)c1OC	4
+c1cccc(-c2cnc(OCC(Nc3c(C(=O)O)csc3)=O)cc2)c1OC	1
+c1(-c2ccccc2O)nc3c(c(Cl)n1)cc(F)cc3	5
+c1(-c2ccccc2O)nc3c(ccc(C)c3)c(Cl)n1	5
+c1(-c2ccccc2O)nc3ccccc3c(Cl)n1	5
+c1cccc(-c2noc(CCCCC(=O)O)n2)c1OC	4
+c1cccc(C(=O)Nc2cn[nH]c2C(NCCCC(=O)O)=O)n1	3
+c1(NC(c2c(cccc2)I)=O)nn(cc1)-c3c(nccc3)Cl	330
+c1cccc(c1O)C=2C(c3c(cc(O)cc3)OC=2)=O	5
+O(c1ccccc1OC)C(C)CN	51
+c1(onc(-c2ccccc2F)c1)C=O	2180
+c1cccc(Oc2cc(N)c(cc2Cl)F)c1OCC(OCC)=O	106
+N#Cc1cc(nc(n1)-c2ccccc2OCCC)O	331
+c1ccccc1CC(NC(CN)=O)C(=O)NCC(O)=O	2139
+c1cccc2-c3ccccc3C(c12)COC(=O)NCCOC(c4ccc(cc4)N)=O	0
+C1(=O)c2ccccc2C(=O)N1C3CCC(CC3)C4C(=O)Nc5cnc6ccc(OC)nc6c5O4	11078
+c1ccc2ccc3c4c(ccc1c24)ccc3COCCCCCN	45
+C(C)N(CCN)CCF	45
+c1(ncccc1OCCN(CC)CCN)F	45
+CC(C)N1N=C(C=CC1=O)c2c3n(ccc(OCCN)c3)nc2-c4ccccc4	45
+CC(C)COc1ccc(cc1Cn2nc(N)cc2CC)Cl	1131
+c1ccc2C(=O)N(C(c2c1)=O)CCn3c(c(-c4ccccc4)nc3)-c5ccccc5	851
+c1ccccc1-c2c3c(ccc(Br)c3)nc(c2CN4C(=O)c5ccccc5C4=O)CC(C)C	11079
+O=C1c2ccccc2C(=O)N1CCCCC(=O)c3ccccc3	851
+c1cc(ccc1)C(Nc2cc(cnc2)Br)CN3C(=O)c4c(cccc4)C3=O	332
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOCCN4C(=O)c5ccccc5C4=O	332
+c1c2c(ccc1)C(=O)N(C2=O)CCc3nnc4n3-c5ccc(cc5C(c6ccccc6)=NC4)F	332
+c12c(C(=O)N(C1=O)C(CC)C=3N=C4SCCN4C(=O)C=3Cc5ccccc5)cccc2	11080
+c1cccc2c1C(=O)N(C2=O)CC(NCCc3ccccc3)=O	11081
+c12c(C(=O)N(C1=O)CC3N(C(=O)OCc4ccccc4)CCCC3C)cccc2	332
+C1(c2c(C(=O)N1CC3CC(C3)n4cc(-c5cccc(OCc6ccccc6)c5)c7c(ncnc47)N)cccc2)=O	332
+c1ccccc1COc2ccc3c(c2)C(=C(N(CC(C)C)C3=O)CN4C(c5c(C4=O)cccc5)=O)OCCCC	3749
+CC(C)CN1C(=C(c2ccccc2F)c3cc(OCc4ccccc4)ccc3C1=O)CN5C(=O)c6ccccc6C5=O	11082
+c1c2C(=O)N(C(c2ccc1)=O)C(c3c(nc4c(c(ccc4)Cl)c3)-c5cc(ccc5)F)C	4377
+c12c(cccc1)C(=O)N(C2=O)CCc3cc(-c4cnc(Nc5cccc(F)c5)nc4NCCC)on3	332
+C1c2ccccc2CC1(C(O)=O)NC(c3cc(OCCc4cc(C)ccc4)c(cc3)Br)=O	4
+c12CCc3ccccc3N(c1cccc2)CC(O)CN	18
+c1cc(ccn1)NC(NCCCCCCN2C(=O)C=Cc3c2cccc3)=NC#N	11083
+C(COCCN1CCN2c3ccccc3Cc4c(C2C1)cccc4)(=O)O	3
+C1CCCCC2N1c3c(NC2)cccc3	15
+c1cccc2c(cccc12)Cn3c(nc4ccccc34)SCCCC(=O)O	3
+c1cc(ccc1)COC(C2N(CCC2)C(=O)C3(c4c(cccc4)-c5ccccc35)O)=O	478
+CCC(C=CCN)=CC	1764
+c1cc(ccc1OCCN)-c2oc(nc2-c3ccc(cc3)OC)OC	45
+C1c2ccccc2CC1NCCCC3N(CCCC3)Cc4ccccc4	110
+c1cccc2c1snc2NCCNC(c3ccc(C(=O)O)cn3)=O	1
+c12ccc3ccccc3c1cc(c4c2cccc4)C	11084
+c1cccc2c1c(C=O)n[nH]2	178
+c1cccc2nc(-c3ccc(cc3OCCOCCOCCOC)N)sc12	0
+c1cc(ccc1)-c2nc(CNc3cnc4c(n3)cccc4)n(S(=O)(=O)N(C)C)c2	1284
+c1cc(ccc1)-c2c(c3c([nH]2)cccc3)C4CCNCC4	671
+c1cc(ccc1C)-c2nc3CCCNc3nc2-c4ccccc4	5079
+c1cc(ccc1CN2CCC(CC2)n3c4c(nc3C)cccc4)-c5c(cc(c(n5)N)N)-c6ccccc6	13
+c1ccccc1-c2cc3c(nc2-c4ccc(cc4)C=O)ccnc3O	39
+c1ccc2c(c3c(c4c2cccc4)cccc3)c1	5049
+c1cc(ccc1)-c2c(ccc(CC=3C(C(OC)=C(OC)C(=O)C=3C)=O)c2)C(O)=O	1450
+c1ccccc1-c2c(C(O)=O)ccc(c2)C	1
+c1ccccc1-c2c(ccc(c2)Br)CO	98
+c1cc(ccc1)-c2c(C(=O)OC)c3cc(F)ccc3nc2C(Nc4c(c(N)ncn4)C#N)C	40
+c1cc(ccc1)COc2ccc3cc(ccc3c2)Cn4cc(CO)c(c4)-c5ccccc5	295
+c1ccccc1-c2cccc(COc3cc(c(cc3Br)C=O)OCc4cc(C#N)cnc4)c2C	751
+c1cc(ccc1)-c2c(cc(cc2)-c3nc(O)c4cc(O)c(OC)cc4n3)F	5
+c1ccccc1-c2c(N)cc(C(O)=S)cc2SCc3ccccc3	1128
+c1ccccc1-c2c(ccc(C)c2)NC#N	11085
+c1cc(ccc1)CNc2nc3ccc(c(C(O)=O)c3nc2-c4ccccc4)OC	1
+c1cc(ccc1)-c2c(Nc3c(cccc3)C(C)C)c(ccc2)N	0
+c1cc(ccc1)-c2c(ncc(c2)N)OC	13
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCCNCCCCCCC	15
+c1cc(ccc1)-c2c3c(O)cccc3[nH]c2C	11086
+C1CC(C)(C)CCC1Cc2cc(O)c(c(n2)O)-c3ccccc3	11087
+c1ccccc1-c2noc(c2-c3cn(-c4ccc(cc4)[N+]([O-])=O)c(n3)C=O)C	2287
+c1cc(ccc1)Cn2c(-c3ccccc3)c(C)c4c(cccc24)Br	190
+c1cc(ccc1)-c2c(c(C#N)c3c(c2F)oc(CNC)n3)C	62
+c1ccccc1-c2c(C(NC)=O)c3c(nc2C(Nc4c(c(N)ncn4)C#N)C)cccn3	40
+c1ccccc1-c2ccc(N)cc2OC	0
+c1cc(ccc1)-c2c(C)cc3cc(ccc3c2O)OC	173
+c1ccccc1-c2c(C(=O)O)ccc(Cc3c(C)c(c(c(OC)c3OC)OC)OC)c2	1
+O=S(=O)(c1ccc(c(-c2ccccc2)c1)CO)C	98
+c1ccccc1-c2cc(Br)ccc2C=O	39
+c1cc(ccc1)-c2c(-c3ccc(cc3)F)c(n(c2C(O)=O)C(C)C)C=O	6
+c1ccccc1-c2cn3c(nc2Cl)c4cc(ccc4n3)F	11088
+c1cc(ccc1)-c2noc3c2c(nc(C(=O)OCC)c3O)-c4cn(Cc5ccccc5)nn4	2743
+c1cc(ccc1)-c2c(sc3c2ccc(c3)O)C(c4ccccc4)=O	5
+c1cc(ccc1)-c2c(c(nc3c2cc(cc3)Br)CC(C)C)CN	45
+c1ccccc1-c2[nH]c3c4c(ccc3)C(=O)CCc24	2207
+c1cc(ccc1)-c2cc(CO)cc3c2ccc(O)c3	49
+c1cc(ccc1Cn2cc(C(OC)=O)c(c2)-c3ccccc3)OCc4ccccc4	5096
+c1ccccc1-c2c(C(OC)=O)cn(Cc3cc4c(cc3)cc(cc4)OCc5ccccc5)c2	5096
+c1ccccc1-c2cc(C=O)c(n2S(=O)(=O)c3cnccc3)C	1639
+c1cc(ccc1)-c2cc(c[nH]2)C(=O)OCC	1866
+c1ccccc1-c2cc(c[nH]2)C=O	200
+c1cc(ccc1)-c2ccc3c(NC(=O)C3)c2	1089
+c1ccccc1-c2c(C(OC)=O)ccc(c2)N	0
+c1ccccc1-c2cc([N+](=O)[O-])c(CC(=O)O)cc2	4
+c1ccccc1-c2cc(CO)c(cc2)C	41
+c1ccccc1-c2cc([N+]([O-])=O)c(cc2)CC(=O)OC	1540
+c1cc(ccc1)-c2cc(cc(-c3ccccc3)c2O)S	1180
+c1ccccc1-c2cc(cc(C(=O)O)c2)OC	1
+c1ccccc1-c2c3ncn(C)c3cc(NC)c2	11089
+c1ccccc1-c2cc(ncn2)NS(=O)(=O)c3ccc(cc3)N	0
+c1cc(ccc1)-c2cnc3c(c(C(=O)NCC(=O)O)c(c(-c4ccccc4)c3)O)n2	3
+c1cc(ccc1)-c2cnc3N(C(C(=C(O)c3c2)C(OCC)=O)=O)O	1697
+c1ccccc1-c2ccc3sc(c(Nc4cc(Cl)c(F)cc4)c3c2)N	2415
+c1ccccc1-c2cc3n(CCO)c(nc3c(C)c2)CCC	44
+c1ccccc1-c2cc3n(c2)CCCC3	11090
+c1ccccc1-c2cc(c(cc2)CO)CN	11091
+c1cc(ccc1-c2ccccc2)-c3nocc3CO	903
+c1ccccc1-c2ccc(cc2)-c3nocc3CCC(O)=O	3
+c1ccccc1-c2ccc(cc2)-c3cc(Nc4ncc(C5CC5)cc4C(O)=O)cc6c3n(cc6)C	1
+c1ccccc1-c2ccc(cc2)-c3c4c(ccn4C)cc(N)c3	0
+c1ccccc1-c2ccc(cc2)CCCCCO	213
+c1ccccc1-c2ccc(cc2)C(=O)Nc3c(scc3)C(=O)O	1
+c1ccccc1-c2ccc(cc2)C(CC#N)NC(CNC(CCCCNc3ccccn3)=O)=O	207
+c1cc(ccc1-c2ccccc2)CC(NC(=O)c3c(OCc4ccccc4)ccc(c3)Br)C(OC)=O	22
+O=S(=O)(C(C(NO)=O)(CCc1ccc(cc1)-c2ccccc2)C)C	792
+c1ccccc1-c2ccc(cc2)NC(=O)CC(O)=O	3
+c1ccccc1-c2ccc(cc2)NC(=O)c3ccc(c(N)c3)OC	0
+c1cc(ccc1OCCCC(O)=O)-c2ccccc2	3
+c1ccccc1-c2nc3cc(ccc3cc2)-c4nc(n5ccnc(Cl)c45)C	4042
+c1ccccc1C(Nc2n3c(ccc(-c4ccccc4)n3)nc2)=O	1542
+c1cc(ccc1)-c2cccc(CC(O)=O)c2	4
+c1cc(ccc1)-c2ccccc2-c3c(ccc(F)c3)O	5
+c1ccccc1-c2nc(CN)n(S(=O)(=O)N(C)C)c2	102
+c1cc(ccc1)-c2c(O)c(c3c(c2)ncc(n3)-c4ccccc4)C(OC)=O	5
+C1CC(CCN1c2nc(Cl)nc3c2c(cs3)-c4ccccc4)C=O	24
+O=S(=O)(n1c(-c2ccccc2)c(c(C=O)c1)F)c3cccnc3	5072
+c1ccccc1-c2n3c(ccc(C(O)=O)c3)nc2C	1
+c1cc(ccc1)-c2n3nc(C(=O)O)ccc3nc2-c4ccc(cc4)C5(CCC5)N	6
+c1ccccc1-c2nn(cc2)C=3C=C(OCc4ccccc4)C(=O)N(C)C=3	11092
+c1ccccc1-c2onc(-c3ccc(cc3)N)n2	0
+c1ccccc1-c2nc(oc2-c3ccccc3)C4CCCCC4Cc5cc(ccc5)O	5
+c1ccccc1-c2c([nH]c(n2)SCCCCC(O)=O)-c3ccccc3	3
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCCCCCNCCCC	15
+c1cc(ccc1)-c2oc(c(n2)CCOC)C	21
+c1ccccc1-c2nc(C)c(C(C(=O)O)CCC)c(n2)-c3cc4NC(=O)Nc4cc3	4
+c1ccccc1-c2scc(CO)n2	11093
+c1ccccc1-c2nc(on2)C3CC(CC3)Nc4c5c([nH]nc5)ncn4	1002
+c1ccccc1-c2nc(-c3c(cccc3)N)sc2	0
+c1ccccc1-c2c(-c3ccccc3)nc4c(n2)CCCN4CCCC=CCC(=O)O	4
+c1ccccc1-c2nc(-c3cc(ccc3)N)c4c(N)c(sc4n2)C(=O)O	6
+c1cc(ccc1)-c2c(c(C(=O)NC(c3ccccc3)CC)c4c(cccc4)n2)CN=[N+]=[N-]	14
+c1ccccc1-c2c(NCc3ccccc3)nc4c(c(C(=O)OC)c(OC)cc4)n2	1284
+c1ccccc1-c2sc3c(c(ccc3)CO)n2	59
+c1ccccc1-c2sc3c(cc(C=O)c(OC)c3)n2	39
+c1ccccc1-c2nc3c(c(-c4cccc(N)c4)n2)c(c(s3)C(=O)OCC)N	0
+c1ccccc1-c2nc(c(cn2)C(=O)O)-c3ccccc3Cl	6
+c1cc(ccc1)-c2cc(ccn2)C(C)C	1382
+c1ccccc1-c2c3c(n(CC#N)n2)C(=O)N(c4ccc(cc4)Cl)C(=N3)c5ccc(cc5)C(C)C	143
+c1cc(ccc1)-c2c3c(n(C)n2)C4(C(C(C(C(C#N)C4)=O)C)CC3)c5ccccc5	11094
+c1cc(ccc1)-c2n[nH]c3c2cc(-c4cnn(C)c4)nc3	11095
+c1ccccc1-c2ccn(n2)C3=CN(C)C(C(O)=C3)=O	4733
+c1ccccc1-c2nn3ccccc3c2C=4C=CC(N(C5CC(=O)CCC5)N=4)=O	86
+c1ccccc1-c2ccc3ncc(n3n2)N	1901
+c1ccccc1-c2nnc(c3ccccc23)Cc4ccc(cc4)O	5
+c1ccccc1-c2nnc(Cc3ccc(cc3)Oc4ncccc4-c5ccnc(n5)NC)c6ccccc26	136
+c1cc(ccc1)C(N2CCN(CC2)c3ccnnc3-c4ccccc4)=O	1288
+c1ccccc1-c2oc(CCC(O)=O)nn2	4
+c1ccccc1-c2oc(C)c(n2)COc3cccc(COc4nn(cc4C=O)Cc5ccccc5)c3	576
+c1ccccc1-c2oc(C)c(n2)COc3cccc(COc4c(CO)cn(Cc5ccccc5)n4)c3	536
+c1ccccc1-c2nc(c(CCCOC)s2)C(O)=O	6
+c1ccccc1-c2sc(nn2)NC(=O)c3c(N)c4cc(cnc4s3)C(=O)O	6
+c1ccccc1-c2sc3c(c(ccc3)C=O)n2	200
+c1cc(ccc1)-c2nc3c(cc(OC)c(c3)CNC4C(NCCC4)c5ccccc5)s2	42
+c1ccccc1-c2nc3cc(c(cc3s2)OC)CO	98
+c1ccccc1-c2scc(COc3cccc4oc(cc34)-c5nc6n(c5)nc(OC)s6)n2	1963
+c1ccccc1-n2nc(C(C)(C)CO)cc2N	44
+c1cc(ccc1)-n2nccc2NC(Oc3ccccc3)=O	278
+c1cc(ccc1)-n2c(C(Nc3[nH]nnn3)=O)c(OC(C)C)c(Br)c2Br	11096
+c1ccccc1-n2c(N)c(c(SC)n2)C(On3nnc4cccnc34)=O	11097
+c1ccccc1-n2c(c(C(O)=O)cn2)CC	1
+c1ccccc1-n2c3c(nc2)ccc(C=O)c3	39
+c1ccccc1-n2c(-c3ccccc3)nc4c2ncnc4NCCC=O	24
+c1ccccc1-n2cc(C)c(CO)n2	194
+c1cc(ccc1)N2C=C(C(=O)N2)C=O	11098
+c1cc(ccc1)-n2nc(c(C=O)c2)-c3oc([N+](=O)[O-])cc3	576
+c1ccccc1-n2cc(CO)c(-c3ccc([N+](=O)[O-])o3)n2	11099
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(O)=O)CCC3)n2	3
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(N6CC(C6)C(O)=O)=O)CCC3)n2	4
+c1ccccc1-n2c(ncc2)-c3cc(O)ccc3	5
+c1ccccc1-n2cc(c(CCN)n2)C	51
+c1ccccc1-n2c(cc(CC)n2)NC(Oc3ccccc3)=O	278
+c1ccccc1-n2c(c(c(n2)SC)C(=O)O)N	6
+c1ccccc1-n2nc(SC)c3ccc(N)cc23	0
+c1ccccc1-n2c(cc(n2)C(=O)O)OCC(=O)N3C(CCC3)C(NCCF)=O	6
+c1cc(ccc1)COC(=O)C2CCCN2C(=O)COc3cc(C(=O)OCC)nn3-c4ccccc4	478
+c1ccccc1-n2nc(cc2OCC(O)=O)C(OCC)=O	210
+c1ccccc1C#Cc2c(NC(=O)C)n[nH]c2-c3cc(F)ccc3	1249
+c1ccccc1C#Cc2c(c(Cl)cc3nc(c(OC)nc23)OC)Cl	11100
+c1ccccc1CCC2=C(Br)C(=O)N(Cc3cc(ccc3)F)C=C2	11101
+c1cc(ccc1)C#Cc2c([nH]nc2-c3cccc(c3)F)N	1670
+c1cc(ccc1)-c2[nH]c3c(cc(c(-c4occc4)n3)-c5ccncn5)c2	3152
+c1ccccc1C#Cc2cc(c(OCCC)cc2)C(=O)O	1
+c1ccccc1C#Cc2cc(c(OC(C)C)cc2)C(NC(Cc3c4ccccc4[nH]c3)(C(=O)O)C)=O	4
+c1ccccc1C#Cc2ccc(c(C(NC(C)(Cc3c4ccccc4[nH]c3)CO)=O)c2)OC(C)C	21
+CC(C)Oc1ccc(cc1C(O)=O)C#Cc2ccccc2	1
+OB(O)c1ccc(cc1)C#Cc2ccccc2	493
+c1ccccc1C#Cc2ccc(cc2)B(O)OC	493
+c1ccccc1C#Cc2ccc(cc2)OCCc3nc(sc3)SC(C)(C)C(=O)O	4
+c1cc(ccc1F)-c2[nH]nc3c2cc(cc3)C#Cc4ccccc4	804
+c1cc(ccc1)CCc2cc3c(N=C(CC(N3)=O)c4cccc(c4)C#N)cc2	1702
+c1cc(ccc1OCOC)C(=C(CC)c2ccccc2)C(O)=O	108
+c1ccccc1C(Nc2ccc(cc2)CC(=O)OCC)=C3c4ccccc4NC3=O	5097
+c1cc(ccc1)C(O)CN(C)Cc2ccc(Cl)cc2Cl	74
+c1ccccc1C(N(C)CC(CC=O)c2ccc(Cl)c(Cl)c2)=O	24
+c1ccccc1C(=O)N(C)CCOc2ccc(cc2)CC3SC(=O)NC3=O	534
+c1cc(ccc1)-c2oc(c(C)n2)CC(=O)OCC	11102
+c1cc(ccc1)C(=O)Nc2c(N)ccc(N3CCCC3)c2	0
+c1cc(ccc1)C(=O)Nc2c(ccc(c2)C)N	0
+c1ccccc1C(=O)Nc2ccc(c(N)c2)OC	0
+c1ccccc1C(=O)Nc2ccc(cc2)CN3C(=O)C(CCC(NO)=O)=CC3	11103
+c1ccccc1C(=O)Nc2n[nH]c3c2cc(cc3F)N	0
+c1ccccc1C(=O)Nc2nc3c(s2)cc(cc3)N	0
+c1ccccc1C(=O)Nc2sc3cc(Nc4nc(Nc5n[nH]c(c5)C)ccn4)ccc3n2	55
+Clc1cccc(OCC(F)CCC2C3C(OC(=O)C3)CC2O)c1	682
+C1COC(O1)(CCC2C(O)CC3OC(=O)CC23)COc4cccc(Cl)c4	682
+Clc1cc2c(noc2cc1)OCC(CO)N	682
+c1ccccc1C(OCOC(=O)C2Cc3c(n(C(c4ccccc4)=O)c5c3cccc5)CC2)=O	11104
+O=C(N1C(SCC1C(O)=O)c2c(O)cccc2)CCS	11105
+c1cc(ccc1)C(=O)c2c3c(sc2N)cccc3	5051
+c1cc(ccc1)-c2c3c(cccc3)nc(-c4sc(CC(=O)N)cc4)c2	11106
+c1ccccc1C(=O)c2ccc(CC(=O)O)c([N+](=O)[O-])c2	3
+c1ccccc1C(=O)c2ccc(CC(=O)OCC)c(N)c2	0
+c1ccccc1C(=O)c2cc3c(C(C(=O)O)CC3)cc2O	4
+c1ccccc1C(=O)c2cc3cc(ccc3o2)O	5
+c1ccccc1C(c2cc(C=O)c(cc2)[N+]([O-])=O)=O	1054
+c1ccccc1C(=O)c2c(O)c(c(cc2)O)CCC	732
+c1ccccc1C(=O)c2cccc(CC(N)=O)c2N	11107
+c1ccccc1C(c2ncnc(SC)c2)O	5084
+c1ccccc1C(C(=O)NC(CC(=O)OCC)c2cccc(c2)NS(=O)(=O)c3cc(N)ccc3)CC	0
+C1CC(CCN1)C(c2ccccc2)C(=O)OC	62
+c1cc(ccc1)C(c2cnc3c(cccc3OC)c2O)=O	11108
+c1cc(ccc1OCC(C)CCC)C(CN)NC(C(C)c2ccccc2)=O	18
+CC(C)(N1C(c2c(c(Cl)c(F)cc2I)C1)=O)c3ccccc3	4840
+c1cc(ccc1)C(C)(C)c2cc(C(C)(C)c3ccccc3)c(O)c(c2)-n4nc5c(n4)cccc5	4833
+c1cc(ccc1C2OCCN(C(C)c3ccccc3)C2)Br	15
+c1cc(ccc1)C(N2CC(C(c3ccccc3)=O)CC2=O)C	832
+c1ccccc1C(N2C(C(CC2)CN)C(=O)N)C	18
+c1ccccc1C(C)n2c3ccccc3c(C(O)=O)c2C	6
+c1ccccc1C(c2c(c(N)cc(Br)c2)OCCC)C=C	0
+c1ccccc1C(CC=O)c2cc(OC)cc3c2cc[nH]3	578
+c1ccccc1C(CC(OCC)=O)Cc2ccc(cc2)O	5
+c1ccccc1C(CC)C(NC(CC(=O)OCC)c2cccc(N)c2)=O	0
+c1ccccc1Cn2c(ccc2-c3ccc4cc(ccc4c3)OC)-c5ccccc5	11109
+c1ccccc1C(CCCCCNc2c(N)cnc3ccccc23)=O	13
+C1CN(CCC1CCCc2ccccc2)CCC(c3ccccc3)O	74
+C1COCCN1CC(CO)c2ccccc2	44
+c1cc(ccc1)C2COCC(N2)=O	467
+c1ccccc1C(Cc2ccc(cc2)OCCc3cccc(NC)n3)CC(OCC)=O	11110
+c1cc(ccc1)C(NCc2ccccc2)=O	93
+c1ccccc1C(=O)N2C(N(C3OC(C(OCc4ccccc4)C3)COC(=O)C)C=C(F)C2=O)=O	4229
+c1ccccc1COc2c(C)cc(OC(c3ccccc3)=O)cc2CC	1039
+c1ccccc1C(NCCc2nc(sc2)Nc3c(cccn3)OCc4ccccc4)=O	93
+c1ccccc1C(=O)N(CCCSc2ccncc2)Cc3cccs3	115
+c1ccccc1C(N2Cc3n(CC2)ccc3)=O	115
+c1cc(ccc1)C(OCCOc2cc(C)nc(c2)-c3nc(C)ccc3)=O	279
+c1ccccc1C(Nc2nc3c(cc(cc3)Sc4n5cccnc5nc4)s2)=O	548
+C1CC(CCC1)N(CCCCCC=O)C(c2ccccc2)=O	24
+c1ccccc1C(=O)N(C)CC(CCO)c2cc(Cl)c(Cl)cc2	168
+c1cc(ccc1)C(CC)NC(c2c3n(cc2)CCOC3)=O	56
+c1ccccc1C(NCC(O)C(NC(=O)OCc2ccccc2)Cc3cc(F)cc(c3)F)COCC=C	122
+CN(C)CCOc1ccccc1NC(=S)N	401
+c1ccccc1C2COC(C(CC=CCC(C)C(=O)N2)C)=O	11111
+c1ccccc1C(c2c(cc(Cl)cc2)C)NC(Cc3cc4nc(-c5c(C)ccnc5C)oc4cc3)=O	3908
+C(N)(Nc1c(cccc1)OCCC)=S	401
+c1cc(ccc1)Oc2cc(cnc2NC(=S)N)Cl	401
+c1cc(ccc1)C(NCC(C(Cc2cc(F)cc(c2)F)N)O)COCC=C	102
+c1ccccc1C(C(=O)O)Nc2cc(Br)c(cc2)C#N	4
+c1cc(ccc1NC(c2ccccc2)=O)C=CC(=O)O	127
+c1ccccc1C(Nc2ccc(cc2)CC(=O)O)=C3c4ccccc4NC3=O	3
+c1ccccc1C(Nc2ccc(cc2)N(C)C(=O)C)=C3c4ccccc4NC3=O	5097
+c1ccccc1C(CCCCCNc2c3ccccc3ncc2[N+]([O-])=O)=O	155
+c1cc(ccc1)C(=O)CNC(=O)C	155
+c1ccccc1C(CNc2nc(nc3sc(cc23)C)C)=O	155
+c1ccccc1Cc2sc3c(cccc3)c2	1429
+c1ccccc1C(c2[nH]c3c(nccc3c2)Cl)=O	2229
+c1cc(ccc1)C(OCCOc2cccc(CN3CC(Nc4c5ccncc5ccc4)CC3)c2)=O	48
+c1ccccc1C(c2cc3c([nH]2)cncc3)=O	11112
+c1ccccc1C(=O)c2cc(Br)ccc2C(N(Cc3ccc(cc3)S(=O)(=O)C)CC(=O)CCC)=O	86
+c1ccccc1C(=O)c2cc(c(N)cc2)C=O	0
+c1ccccc1C(=O)c2cc([N+]([O-])=O)c(CC(OCC)=O)cc2	976
+c1cc(ccc1)C(=O)c2cc(Cl)c(cc2OCC(OCC)=O)OC	335
+c1cc(ccc1)C(c2c(ccc(-c3nc(ncc3)N)c2)F)=O	335
+c1ccccc1C(=O)c2cc3CCC(C(=O)OC)c3cc2O	5
+c1cc(ccc1)C(CC(=O)O)c2cc3c([nH]cc3)cc2	3
+c1ccccc1C(c2cc3cnn(-c4ccc(cc4)F)c3cc2)C(C)(C)C=O	24
+c1ccccc1C(c2ccccc2)(CN)CN(CC)CC	51
+c1ccccc1C(c2ccccc2)(CCC(OCC)=O)CC#N	783
+c1cc(ccc1)C(c2ccccc2)(CC3CCN(CC3)CCc4ccccc4)C(N)=O	28
+c1ccccc1C(c2ccccc2)=CC3CCNCC3	3039
+c1ccccc1C(c2ccccc2)(CCC(C)(C)NC)C(=O)N	25
+c1cc(ccc1)C(c2ccccc2)(CC#N)CCCO	44
+c1ccccc1C(c2ccccc2)(C(=O)N)CCCNC	25
+c1cc(ccc1)C(c2ccccc2)(CCN)O	51
+c1ccccc1C(c2ccccc2)(O)CCNCc3ccccc3	162
+c1ccccc1C(c2ccccc2)(c3ccc(cc3)OC)OCC4OC(CC4O)N5C=C(C(NC5=O)=O)C#C	4572
+C(OC)CC1N(CCNC1)C	3171
+N1CC2C(C(NC(Nc3cc(-c4nnnn4C)cc(CC)c3)=O)CC2)C1	3171
+c1cc(ccc1F)CC2CN(CCC2)C3C4CNCC4CC3	3171
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)CO	44
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)CN	18
+CC(C)C(O)C(CC)N	11113
+C1N(CCC1CF)C(CO)C	1454
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CCO)O	44
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCC=O	24
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCCC=O	24
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCNC(CCCCCN(C)CCN)=O	12
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(N5CCOCC5)c6c4cc(nc6CO)Cl	453
+c1cc(ccc1)C(NC(Nc2ncc3c([nH]nc3c2)NCC)=O)C	11114
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4ncc5c4cc([N+]([O-])=O)c(CCNCc6ccc(cc6)F)c5	15
+c1cc(ccc1OCCCc2cnc[nH]2)F	5098
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(CCO)c4	21
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COc5c(cccc5)OCc6ccccc6)c4	2303
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(COCC(=O)O)nc4	3
+c1ccccc1COc2ccccc2OCc3nc[nH]c3	5098
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4ncc5c4cc(c(CCNCc6ccc(cc6)F)c5)N	0
+c1ccccc1C(c2ccccc2)C3CCN(CC3)c4nc5c([nH]4)cccc5	4689
+c1cc(ccc1)C(c2ccccc2)CC3CCN(CC3)CCCCCCCCc4cccnc4	3040
+FC(F)(F)c1c(CBr)c(ccc1C#N)N	828
+CN(C)C1CC=C(CC1)c2c(F)c(ccc2)N	828
+CC(C)(C)OC(N1CC(c2c1cc(N)c3ccccc23)CCl)=O	828
+c1cc(ccc1)C(c2ccccc2)(C#N)CC3CCN(CC3)Cc4ccccc4	11115
+c1ccccc1C(c2ccccc2)C(N(CC=CCO)CC)=O	2502
+c1ccccc1C(c2ccccc2)C(Nc3c(nc(COCc4ccccc4)nc3)O)=O	1681
+c1ccccc1C(c2ccccc2)C(C(=O)NC(C)CCCC(C(OCC)=O)N)NC(OC)=O	689
+c1cc(ccc1)C(c2ccccc2)C(Nc3c(O)nc(nc3)CO)=O	118
+c1ccccc1C(c2ccccc2)C3CC(CCO3)N	18
+c1ccccc1C(c2ccccc2)C=C	4318
+c1ccccc1C(c2ccccc2)CN(Cc3c(Cl)c(C(F)(F)F)ccc3)CCCOc4ccc(cc4)C(=O)O	1
+c1ccccc1C(c2ccccc2)N(C)CCN(C)CCCCN	45
+CN(C)CC1(CNC1)F	539
+CC(C)(C)OC(NCC1(CNC1)F)=O	539
+CC(C)(C)OC(=O)NCC1(CNC1)N2CCOCC2	539
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)CN4CCC4	15
+O=S(=O)(C)NC1CNC1	539
+C1NCC1S(c2ccc(cc2)Cl)=O	539
+c1cc(ccc1Cl)SC2CNC2	539
+CC(C)(C)OC(=O)NC1CNC1CC	539
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CN	15
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CCCCN	45
+C1CC(CCN1)CCCCNC(CCc2cnccc2)=O	539
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CNC	695
+c1ccccc1C(c2ccccc2)N3CCN(CC3)C(C4C(C=O)C4)=O	24
+c1ccccc1C(c2ccccc2)N3CCN(CC3)C(=O)C4CC4CO	44
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCNc4cc(ccc4O)C	15
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCNc4ccc(C(F)(F)F)cc4N	0
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCNC	215
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOCCN	45
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4ccc(N)cc4C#N	0
+c1ccccc1C(c2ccccc2)N3c4ccc(C)cc4C5(COc6cc7OCOc7cc56)C3=O	11116
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4cc(ccc34)C)c5c(cc6c(OCO6)c5)O)=O	462
+Cc1cc2c(cc1)NC(=O)C23COc4cc5OCOc5cc34	3162
+c1cc(ccc1)C(c2ccccc2)n3c4ccc(Cl)cc4cc3CCNS(=O)(=O)Cc5cc(c(cc5)Cl)Cl	4227
+c1ccccc1C(c2ccccc2)OC(C=3N4C(C(N)C4SCC=3c5cnc(NC(=O)C)s5)=O)=O	84
+n1c(sc(c1)C=2CSC3C(C(=O)N3C=2C(=O)O)NC(Cc4cccs4)=O)NC(C)=O	11117
+c1cc(ccc1)C(c2nnn(CCCCCCCCCCCC)n2)C(O)=O	3
+c1ccccc1C(n2c3nc(Cl)ncc3c(C(O)=O)c2C)C	1
+c1cc(ccc1)C(n2ccc3ccccc23)CCO	95
+C1CCCCC1(CCC(=O)O)c2ccccc2	1571
+c1ccccc1C2(CN(S(=O)(=O)c3ccccc3)C)C(C=O)C2	24
+c1ccccc1C2(CC(C2)C)c3cc(OCc4ccc5cc(ccc5n4)F)ccc3C(=O)CBr	380
+c1ccccc1C2(CC2)c3nc4c(nc(-c5c(F)cc(cc5)CCN)s4)cc3	157
+c1ccccc1C2(CC2)c3nc4c(nc(-c5c(F)cc(CC[N+](=O)[O-])cc5)s4)cc3	364
+c1ccccc1C2(CC2)c3nc4c(nc(-c5c(F)cc(cc5)C=O)s4)cc3	2910
+c1ccccc1C2(CNc3c2ccc(c3)C#N)C	621
+c1ccccc1C2(CCc3nnc(C)o3)CCN(C(=O)O2)C(C)c4ccc(cc4)Br	1037
+c1ccccc1C2(c3ccccc3)C=Cc4c(C2)n[nH]c4C(=O)O	6
+c1ccccc1C2(c3ccccc3)CCCN(C2=O)CC(=O)O	3
+c1ccccc1C2(CCN(CC2)CCN)c3ccccc3	51
+c1ccccc1C2=C(N(C(=O)c3ccccc23)C)C=CC(O)CC(O)CC(O)=O	3
+c1ccccc1-c2c3n(ccc2)ccn3	11118
+CC1(C)Cc2c(c(cc3c2C(=NC(C)(C)C3)c4ccccc4)O)O1	5
+c1ccccc1CN2N=C(C(C(Nc3ncnc(N)c3C#N)C)=CC2=O)c4ccccc4	2596
+c1ccccc1C2CCc3c(ccc(O)c3)C2=O	5
+c1ccccc1C2c3c(C(O)C2CC)c(Cl)c(c(OCC(=O)O)c3)Cl	74
+c1cc(ccc1)C2C(N)C(=O)Nc3ccccc3O2	1584
+C1CC(CCC1CN)c2ccccc2	18
+c1ccccc1C2CCC(CC2)Nc3c(I)c(ncn3)CC	40
+c1ccccc1C2C(=O)N(CCC2)CC(O)=O	3
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+c1cc(ccc1)C2N(C)C(=O)CC2CO	95
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+c1ccccc1C2C(CC)C(=O)c3c(Cl)c(Cl)c(OCC(=O)O)cc23	3
+c1ccccc1C=2C(=O)N(CC3CCCCC3)c4c(c(O)c(C(NCCCC(=O)O)=O)nc4)C=2	3
+c1cc(ccc1)CN2c3c(-c4cccnc4)nc(C(=O)O)c(c3C=C(C2=O)c5ccccc5)O	1
+c1ccccc1C=2CCN(CC3CC(CCC3)=O)CC=2	97
+c1ccccc1C=2CCN(CC=2)CCC#Cc3ncc(cc3)N	13
+c1ccccc1C=2CCN(CCCCN(c3cc(ccc3C(=O)O)[N+]([O-])=O)C(OCC)=O)CC=2	1
+c1ccccc1C=2N(C(C(C(C)C)N(C(C)=O)C=2)=O)CC(=O)NC(C=O)Cc3ccccc3	24
+c1ccccc1C2=C(C=CC(CC(CC(=O)OCC)O)O)N(C(=O)c3ccccc23)C	770
+c1cc(ccc1)CC(C#N)C(OCC)=O	11119
+c1cc(ccc1)CC2C(c3[nH]c4c(c3CC2)c(Cl)c(Cl)cc4)=O	4730
+c1ccccc1C=C2c3nc(C)c(cc3CCC2)CO	351
+c1ccccc1C=C2c3nc(C)c(cc3CCC2)C=O	200
+c1ccccc1C2CC(c3cc(Br)c(cc3O2)F)=O	11120
+c1ccccc1CNCCCCCCCCCCCC	1172
+c1ccccc1-c2nc3cc(ccc3o2)C	11121
+c1ccccc1CNCCOCc2ccccc2	42
+c1cc(ccc1)CNc2ccccc2C=Cc3n[nH]c4c3cccc4	208
+c1ccccc1CC(CCCCc2ccccc2)C(=O)OC	2494
+c1ccccc1CCNc2c(cc(cc2S(=O)(=O)N)C(O)=O)NCc3ccccc3	608
+c1ccccc1COC(=O)C2C(OCC(N2Cc3ccccc3)=O)C	283
+c1cc(ccc1)COc2ccc(c3CCC(N(Cc4ccccc4)c23)=O)CC5SC(=O)NC5=O	22
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+c1cc(ccc1)Oc2ccccc2-c3nnc(SCc4ccccc4)o3	11123
+c1ccccc1COc2c(cc(cc2)Oc3ccccc3)C=O	22
+c1cc(ccc1)Cn2c(cc3nc(Cl)ccc23)-c4ncco4	5029
+c1cc(ccc1)Cn2cnc(C(c3cccnc3F)=O)c2	371
+c1cc(ccc1)Cn2c3c(nc(N)nc3cc2)O	11124
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+c1cnccc1-c2nc(NCC(N)Cc3ccccc3)ccc2	340
+c1ccccc1CCN2c3c4c(cnc3CCC2)cccc4	15
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+c1ccccc1CCCCCCC=O	24
+c1ccccc1CCCCOCCC(CCC=C)=O	86
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+c1ccccc1CCCNc2nn3c(cc2)ncc3Br	232
+c1ccccc1CCCNc2cccc(Sc3ccc(cc3)CC(O)=O)c2	3
+c1ccccc1CCCOC(NC2C(=O)OC2C)=O	11125
+c1ccccc1CCCOc2c(-n3nnc(c3)C(=O)O)ccc(c2)C(=O)NCC	6
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+c1ccccc1S(=O)(=O)N2CCC(CC2)C(=NCCc3ccccc3)c4ccc(cc4)F	1529
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+c1ccccc1CCOc2ccc(Cl)cc2CCC(=O)OCC	159
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+c1ccccc1CCc2nc(N)cc(c2)C	899
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+c1ccccc1CNC(=O)c2cc3C(O)=C(C(OCC)=O)C(N(OCc4ccccc4)c3nc2)=O	56
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+c1ccccc1CN(Cc2ccccc2)CC(OC)CN3CCNCC3	2
+C[Si](C)(C)CCOCOc1ccc(cc1NC=O)C(CN)O	932
+CC(C)(CN1CCC(CC1)CN)OC	932
+c1ccccc1CN(Cc2ccccc2)CCCC=O	578
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+c1ccccc1CN(Cc2ccccc2)c3c(F)c(c(cc3)F)C(=O)c4c[nH]c5ncc(-c6cnccc6)cc45	814
+c1ccccc1CN(Cc2ccccc2)c3c4[nH]c(C(=O)OCC)cc4ccn3	4904
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+c1ccccc1CN(Cc2ccccc2)c3nccc4c3[nH]c(C=O)c4	178
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+c1ccccc1CN(Cc2ccccc2)c3nccc4cc([nH]c34)C(O)c5ccccc5	5021
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+c1cc(ccc1)CN2CC(C3(C2)CCCc4ccccc34)C(O)=O	3
+C1CC1(C2COC(C)(C)CN2)O	25
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+c1ccccc1CN2CC3C(c4c(C3C2)cc(cc4)OC)O	74
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+c1ccccc1CN2CCC(CC2)N(CCCCOCCO)C(C)C	15
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+c1ccccc1CN2CCC(CC2)N3C(=O)C=Cc4c3cc(N)cc4	106
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+c1cnccc1-c2ncccc2OC3CCN(CC3)Cc4ccccc4	1299
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+c1ccccc1CN2CCC(CC2)c3cc(c(Cl)cc3)C#N	274
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+c1ccccc1CN2C(CCC=O)CCCC2	24
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+N1Cc2c(c3cc(C#N)ccc3nc2CC1)Cl	25
+c1n(c2c(CNCC2)n1)-c3ncccc3	25
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+C(C)OC(c1n[nH]c2CNCc12)=O	25
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+c1ccccc1CN2CCn3cc(C=O)nc3C2	11133
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+c1ccccc1CN2CCCc3c2cc(Cc4c(C(C)C)ccc(Br)c4)cc3	452
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+c1ccccc1CNCCc2c3c(ccc(F)c3OCC)n(c2)C	15
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+c1ccccc1CNC(c2c(C)nc(s2)N3CCCCC3=O)=O	11136
+c1ccccc1CNC(c2c(C)nc(N3CCCC3=O)s2)=O	11137
+c1ccccc1CNC2(CC2)c3ccc(cc3)C#Cc4ccc(cc4)C(=O)O	6
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+CC1(C)C(c2c(O1)c(c(c(N)c2C)C)C)c3ccc(cc3)C	1197
+c1ccccc1CNc2c(cnc(c2)Nc3ccncc3)CC(N)=O	201
+c1cc(ccc1)S(=O)(=O)N(c2cccc(c2)N3C(NCC3)=O)Cc4ccccc4	416
+c1ccccc1CNc2ncc(cc2)N	13
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+C1C(OC)CNC(C(=O)O)C1C(OC)=O	210
+c1cc(ccc1)CN2C(C(OCc3ccccc3)=O)C(OCC2)C	15
+N1(CCOC(C(=O)O)C1)C(=O)C	210
+C(=O)(O)C=Cc1ccc(nc1)N	2882
+CN(C)CC(NC(=O)CCCCCCCOCc1cc(F)c(cc1)F)CC(=O)O	210
+c1cc(ccc1)COc2cccc(c2)CCC(O)=O	210
+c1ccccc1COC(=O)N2CCC(CC2C#N)c3ncc4c(Cl)nccn34	856
+c1ccccc1COC(=O)N2C(C#N)CC(C(=O)NCc3nccnc3Cl)CC2	9
+c1ccccc1COC(=O)N2C(CC(CC2)C(OCC)=O)C#N	143
+c1ccccc1COC(N2CC(OC3CC3)CC2C(O)=O)=O	4
+c1ccccc1COC(=O)N2Cc3c(CC2C#N)c4c([nH]3)cccc4	143
+c1ccccc1COC(=O)N2C(C#N)CC(CC2)C(=O)O	3
+n1c(NC(=O)c2ccc(-c3c4c(N)nccn4c(C5NCCC5)n3)cc2F)cccc1	62
+c1ccccc1COC(=O)N2C(C)CCC(C(O)C2)N	18
+c1ccccc1COC(=O)N2C(C)CCC(N)C2	18
+c1cc(ccc1F)-n2ncc3c(cncc23)C(=O)NC(CC)C4CC(NCC4)C(=O)N	679
+N1CC(CCC1)C(Nc2nc(-n3cnc4ccccc34)ccn2)C	62
+C(O)CNC(=O)C1CCCN1	679
+c1ccccc1COC(N2C(c3nc4cccc(c4o3)C(OC)=O)CCC2)=O	2037
+c1cc(ccc1Cl)Cc2c(C)noc2C3CCCN3	62
+N1Cc2c(CC1)oc(-c3ncccc3)n2	62
+C1COCCN1CC2Cc3ccccc3CN2C(=O)OCc4ccccc4	15
+c1ccccc1COC(=O)NC(C(NCCCCC=O)=O)CCSC(=O)C	24
+CC(C)C(N)C(=O)Nc1c(c(C)ccc1)C(O)=O	334
+N(C(=O)c1ccccc1O)C(C)C(N)C	102
+c1ccccc1COC(=O)NC(C(=O)NCCCCC=O)CCS	1113
+c1c(C)c2n[nH]cc2cc1CC(N)C(OC)=O	1388
+C1CCCCC1CC(N)C(=O)NCCO	334
+c1ccccc1CC(C(O)=O)NC(OCc2ccccc2)=O	4
+c1cc(ccc1)COc2c(C)cc(c(C=C(C(=O)OC)NC(OCc3ccccc3)=O)c2)Br	11138
+c1cc(ccc1)C(CN2CC(OCCOCCOCCOCCOCCOC)CC2)NC	3172
+O=S(=O)(CC1C(CCC(C1)N(C(C)C)C)N2CCC(N)C2=O)C(C)C	334
+c1ccccc1COC(=O)NC2CCC(CN)(C)C2(C)C	51
+CC1(C)C(C)(C(=O)OC)CCC1N	102
+c1ccccc1COC(=O)NC2C(N(C(=C(C)C)C(OC)=O)C2=O)CCO	237
+C1(OC)CN(CCC1N)c2oc(c(C)n2)C(OCC)=O	102
+c1ccccc1COC(NC2CCCC(c3[nH]c4c(-c5ccccc5N(C4=O)C)n3)C2)=O	11139
+C(C)OC(=O)N1C(CC)CC(N)c2c1ccc(OC)n2	102
+C1CC(CCC1NC)O	3172
+c1ccccc1COC(=O)NC2CCC(CC2(C)C)=O	97
+CC(C)N(C1CC(C(N2CCC(C2=O)N)CC1)CCC)C	334
+C(COC1CN(CCC1N)c2cccc(c2)C(=O)OC)C	102
+c1ccccc1COC(=O)NC2CNC3Cc4c[nH]c5cccc(C3C2)c45	2436
+C1CC1C2N(c3ccc(-c4cn(nc4)CCOC)cc3C(N)C2C)C(C)=O	102
+c1ccccc1COC(=O)NCC2CC(N3c4c(ccnc4)-c5noc(C)c5C3=O)CCC2	11140
+c1ccccc1COC(=O)NCCc2oc(cn2)CC	11141
+C1(NNC(=O)N1CCCCNC(=O)OCc2ccccc2)=O	11142
+c1ccccc1COC(=O)NCCCNc2c(N)c(nc3ccccc23)Cl	13
+C1(=O)n2c(nnc2N(CCCCC)c3[nH]cnc13)CCN	102
+CC(C)c1oc(CCN)nc1	102
+o1c(CCN)ncc1CC	102
+n1c2CCOCc2c(O)nc1CN	102
+O=S(=O)(NC1CCC(CC1)C)N	5100
+Nc1cccc2c1[nH]cc2C3(CC)c4ccc(cc4CC3)F	5101
+c1ccccc1COC(=O)Nc2ccc(C(O)=O)cc2Cl	1
+c1ccccc1COC(=O)Nc2ccc(Oc3cc(C(O)=O)ncc3)c(F)c2	1
+c1ccccc1COC(=O)Nc2c(cc(cc2)N)O	0
+c1cc(ccc1C=2CCN(C(OCc3ccccc3)=O)CC=2)NC(=O)OCc4ccccc4	252
+c1ccccc1COC(=O)Nc2ccc3c(NC(=O)C(C3)C(O)=O)c2	3
+C(C)OC(=O)c1cc2[nH]c(nc2cc1)-c3n[nH]c(C)c3C(=O)O	426
+c1ccccc1COC(c2c(C(=O)c3cc(c(cc3)N)N)cccc2)=O	0
+c1(C(=O)O)cc2cc[nH]c2nc1	426
+C1CCCCC1Nc2cc(C(O)=O)ccc2C(N)=O	426
+c1cc(ccc1O)C(O)C(C)NCCOc2c(C)cc(cc2C)-c3ccc(cc3)C(O)=O	426
+c1ccccc1COC(=O)c2ccc(C(NC(C)C=O)=O)cc2C	24
+O=C(n1cc(c2ccccc12)C(=O)O)N	426
+CC1(C)C(C(O)=O)CC1NC(=O)C	210
+C(CCCC(=O)N1CCCC1C(O)=O)CCC	210
+CC(C)(c1cc(ccc1OC(CC)=O)P(CP(OCC)(OCC)=O)(OCC)=O)CC(=O)O	210
+c1cc(ccc1-c2ccc(cc2)-c3onc(C)c3CC(O)=O)C4(CC4)C(=O)OCC	210
+c1cc(ccc1)S(=O)(=O)c2ccc3c(CNC(=O)CNC)cccc3c2	679
+c1(cc2ccccc2n1CC)CNC	62
+c1ccccc1COC(N(CC(N(c2ccc(cc2)CO)C)=O)C)=O	98
+C1CC(CCC1CCO)CNC	62
+CN(C)C1CC(C(OC)=O)NC1	5102
+C1COC2(O1)CCNC(C(OC)=O)C2	5102
+c1ccccc1COC(=O)N2C(CC(CC2)(CO)N)C	95
+c1ccccc1COC(N2C(C)CCC(O)C2)=O	2118
+O=S(=O)(C)OC1CNC(COCCO)C1	62
+n1ccc(cc1NC2CCC(NC2)C)C#N	62
+c12cccc(C(=O)N)c1oc(n2)C3NCCC3	62
+c1(OC)n(c2nc(nc(N)c2n1)OCCCC)CCCC3NCCCC3	62
+n1[nH]c(C2Cc3c4ccccc4[nH]c3CN2)nn1	62
+c1cc(ccc1-c2c3c(N)nccn3c(C4NCCC4)n2)C(=O)Nc5nccc(C)c5	62
+c1cc(ccc1-c2c3c(N)nccn3c(C4NCCC4)n2)C(Nc5nccc(CC)c5)=O	62
+c1ccccc1COC(N2CC3C(=O)CC2C3)=O	86
+c1ccccc1COC(=O)N2Cc3c(oc(-c4ccccn4)n3)CC2	5103
+c1ccccc1COC(N2Cc3oc(-c4ccccn4)nc3CCC2)=O	5103
+C1CC1OC2CC(N(C2)C(=O)OCc3ccccc3)CO	21
+c1cc(ccc1)COC(=O)N2C3C(C(c4ccccc4)(CC2)O)CCCC3	1035
+c1ccccc1COC(N2CC(C(CC2)=O)NC(c3ncccc3)=O)=O	86
+O=S(=O)(c1cccc2ccccc12)c3n[nH]c4ccc(OC5CCNC5)cc34	62
+c1ccccc1COC(N2CCC34CCCCC3C2Cc5c4cc(c(N)c5)OC)=O	0
+c1ccccc1COC(=O)N2C(C(CCC2)C)CO	21
+c1c(c(-c2cc(NC(C3CNCCC3)=O)ncn2)ccc1)OC	62
+CC(C)CC(NC(c1cc2c(cccc2)o1)=O)C(NC3C(O)CNCCC3)=O	62
+c1ccccc1COC(N2CC(C(CCC2)NC(c3ncccc3)=O)=O)=O	86
+c1ccccc1CC2(C(=O)NC(C(OC)=O)C(C)OC(=O)C)NCCC2	679
+c1ccccc1COC(=O)N2C3(CN(CC(O)=O)C3=O)CCC2	3
+c1ccccc1COC(N2CCN(Cc3cccc(-c4cc(ccc4F)CN)c3)CC2C)=O	107
+C1C2C(Cc3c(cccc13)OC)N(C)CCO2	3172
+c1ccccc1COC(N2c3c(CCCC2)cc(N4CC(CN)OC4=O)cc3)=O	18
+c1ccccc1COC(=O)NC(c2ccccc2)CN3CC(CC3)OCCOCCOCCOCCOCCOC	15
+c1ccccc1COC(=O)NC(C(OC)=O)Cc2cc(c3n[nH]cc3c2)C	11143
+NC(C(OC)=O)CNC(C)=O	1388
+c1ccccc1COC(NC(COCC=C)C(=O)O)=O	4
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)OC2CCC(CC2)C(O)=O	2167
+CC(C)CC(C(NC)=O)N	334
+c1ccccc1COC(NC(CO)Cc2c(ccc(c2)Br)OC)=O	21
+c1c2c([nH]cc2CC(C(=O)OC)NC(CCC(C(OCC)=O)N)=O)ccc1	1388
+CC(C)(NC(=O)OCc1ccccc1)CCO	88
+c1ccccc1COC(NC(C)C(N)=O)=O	5047
+c1ccccc1COC(=O)NC(CC#C)C(=O)NC(C(=O)O)CC(C)C	4
+C1OC(NC1Cc2cc(ccc2OC)Br)=O	11144
+c1ccccc1COC(NC(COC)CO)=O	95
+c1ccccc1COC(NC(C(O)=O)Cc2cc(Br)ccc2OC)=O	4
+c1c(OC)ccc2c1n(nc2)CC(C)N	102
+c1ccccc1COC(=O)NC(Cn2ncc3c2c4C=CCOc4cc3)C	11145
+c1ccccc1COC(NC(Cn2c3c4cc(C(=O)O)oc4ccc3cn2)C)=O	426
+C(C)OC(=O)C12CCCC(C1)(N)CC2	102
+CC(C)N(C1CCC(N2C(C(N)CC2)=O)C(C(CC)O)C1)C	334
+C1C(C(OC)=O)C(N)CC1	102
+c1ccccc1COC(NC2CCN(CC2F)c3ccc(F)cc3N)=O	0
+COC1CN(CCC1N)c2cc(OC)cc(c2)C(=O)OC	102
+C1C2(CS1(=O)=O)CC(C2)N	102
+[nH]1c2cccc3c2c(CC4N(CC(N)CC34)CCC)c1	102
+C1CC(CCC1N)c2nc(c(-c3cc4OCOc4cc3)[nH]2)-c5nc(ccc5)C	102
+CC1(C)C(CCC(N2CCN(CC2)C)C1)N	102
+CCCCOC(=O)N1CC(CC1)N	102
+CC(C)N(C1CC(C(N2CCC(C2=O)N)CC1)NC(C)=O)C	334
+c1cc(ccc1Cl)CC2N3C(N(S(=O)(=O)c4c(cc(cc4)Cl)Cl)CC(N)C3=O)CN(C2=O)C(C)C	334
+c1(cccc(c1)C(=O)OC)N2CC(C2=O)N	334
+C1C(NC(c2nc(Cl)c(CC)[nH]2)=O)C(N)CN(C1)c3nc(C)c(C(=O)OCC)s3	102
+C1CN(CCO1)c2ccc3c(c2)C(C(C(C4CC4)N3C(C)=O)C)N	102
+c1cccc2CCC(c3nccn3-c12)N	102
+c1cc(ccc1OCCCN2CCCC2C)-c3sc4CCC(c4n3)N	102
+C(CN1CC(CCC1)CN)N2c3nc(OC)ccc3N=CC2=O	102
+C(N1C(=O)C=Cc2ncc(OC)cc12)CN3CC(CCC3)CN	102
+c1ccccc1COC(=O)NCCC(NCC(=O)CC)=O	86
+c1cc(ccc1)COC(NCCCCCCCCNCC=C)=O	15
+c1ccccc1COC(NCCCCN(Cc2ccc(cc2)CN(Cc3n(C)ccn3)Cc4[nH]ccn4)C)=O	566
+c1cc(ccc1CN(Cc2n(C)ccn2)Cc3[nH]ccn3)CN(CCCCN)C	102
+c12ccccc1c(ccc2OCC(O)CO)CCCCN	102
+c1cc(ccc1OCC(Nc2ccccc2)=O)CCCCN	102
+n1c(C)cc(CCCN)n1CC	102
+O=S(=O)(N)NCCCCC	5100
+C(OC(=O)Nc1cc(c(N)cc1)O)C	890
+CC(C)c1ccc(cc1C)NC(c2cc(-c3cc(c(nc3)O)N)ccn2)=O	5101
+c1ccccc1COC(Nc2cc(cnc2O)-c3ccnc(c3)C(=O)Nc4cc(C)c(cc4)C(C)C)=O	104
+c12ccc(OCCOC)cc1[nH]c3c(ncc(-c4cccc(N)c4C)c23)C(=O)N	890
+c1ccccc1COC(Nc2cccc(c2C)-c3c4c([nH]c5c4ccc(c5)OCCOC)c(nc3)C(O)=O)=O	6
+n1c(ccc(c1)CCCC)N	5104
+n1c(N)cc(n1C)C(=O)OC	5104
+c1ccccc1COC(c2c(cc(C(O)=O)cc2)C)=O	1
+c1ccccc1COC(c2cc(ccc2OC)CO)=O	41
+c1ccccc1COc2ccc(cc2C(=O)O)Cl	426
+c1ccccc1COC(=O)c2ccc(cc2)N	0
+C1CC2(CCN1C(=O)c3cc(OC)c4cccc(OC)c4n3)Oc5c(C(=O)C2)cc(cc5)C(=O)O	426
+c1ccccc1COC(n2c(nc3cc(c(Cl)cc23)Cl)-c4cc(c(cc4)OC)N)=O	0
+C(=O)(OCC)C(C(=O)OCC)Oc1c2c(ccc1)[nH]cc2	11146
+O=S(=O)(NCC=1OC(=C(OCc2ccccc2)C(C=1)=O)C(O)=O)c3cc(C)ccc3	4970
+c1ccccc1S(=O)(=O)NCC=2OC=C(C(C=2)=O)OCc3ccccc3	2422
+c1ccccc1COC2=COC(=CC2=O)CN	1426
+O=S(=O)(NCC1=CC(=O)C(=CO1)O)c2cc(C)ccc2	2306
+CC1(C)Cc2n(nc(c2C(C1)=O)CC)-c3ccc(C(=O)N)c(NC4C(O)CCCC4)c3	118
+C1C(CC1S(=O)(=O)NC=2C(=C(C(=O)N3CCSC=23)C)Nc4ccc(I)cc4F)O	118
+c1c(F)c(c(cc1-c2ccc(cc2)S(=O)(=O)C)F)OC3CCCC(O)C3	118
+O=S(=O)(c1ccccc1Cl)NCC=2OC(C=O)=C(OCc3ccccc3)C(=O)C=2	3124
+O=S(=O)(NCC1=CC(C(=C(C(O)=O)N1C)O)=O)c2cccc(C)c2	4957
+c1ccccc1COCC(C)(C)C(N(c2ccccc2)CC(O)=O)=O	3
+c1cc(ccc1)COCC2n3c(COC2)nc4cnc5ccccc5c34	2130
+NC(c1c(N)c2c(nc(nc2s1)CC(CO)C)-c3ccc(c(c3)Cl)Cl)=O	118
+c1ccccc1COCC(CCC=O)OS(=O)(=O)C	24
+c1ccccc1COCC2OCCCC2S	1113
+S(C1C(CO)OCCC1)CCCCCCCCCCCCCCCC	118
+c1cc(ccc1)COCC(CCCO)O	95
+C1OC(CC2CSC(NC12c3c(cccc3)F)=N)CO	11147
+c1ccccc1COCCC(CC=C)CO	44
+O1CCOC1C(CCC=O)CCOCc2ccccc2	24
+c1ccccc1COCCC2CCC=C(C2)CO	2569
+c1ccccc1COCCC2CCC(CC2)=O	97
+c1ccccc1COCCC2CC(COC)=CCC2	4122
+c1ccccc1COCCCCc2ccc3ncn(-c4sc(C(=O)OCC)c(n4)-c5cccc(Cl)c5)c3c2	374
+c1ccccc1COCCCCNCCC	15
+c1ccccc1COCCCC(C)(C)COS(=O)(=O)CCCN	18
+O=S(=O)(CCCNC(C)=O)OCC(C)(C)CCCO	118
+CC(C)Cc1sc(-c2onc(C(CC(Nc3c(Cl)cc(cc3)C)=O)CCCO)c2C4CC4)cn1	118
+O=S(=O)(NC=1C(Nc2c(F)cc(I)cc2)=C(C(N3CCOC=13)=O)C)C4(CC4)CCCO	118
+C1COC2(O1)COC(CCC2)(CCCCO)C	118
+c1ccccc1COCCCCCCCCCCCS	1113
+c1ccccc1COCCCCN(C(=O)c2cc(C(O)=O)cc(C)c2)CCC	6
+Clc1cccc(c1)-c2nc(-n3cnc4c3cc(cc4)CCCCO)sc2C(=O)OCC	118
+C(C)OC(C1(Oc2cc(ccc2CC1)OCCCO)CC)=O	118
+c1cc(ccc1CO)CCCOCc2ccccc2	41
+n1[nH]c2c(C(N(C(=O)N2CCO)CCCC)=O)c1NC	118
+CCOC(=O)CCCCCOCCOCCOCCOCCOCCOCCO	118
+O(CCOCCOCCOCCOCCOCCO)CCOCCOCCOC	118
+c1cc(ccc1-c2c(nc(N)nc2COCc3ccccc3)N)N	0
+c1ccccc1COCc2nc(c(cn2)C(=O)O)O	6
+c1ccccc1COCc2ncc(N)c(O)n2	193
+c1ccccc1COCn2c3c(nc(nc3N)CCCC)c(c2C)CCCCO	2065
+c1ccccc1COCn2c(c(CCCC=O)c3nc(nc(N)c23)CCCC)C	24
+c1cc(ccc1)OC(=O)NOCc2ccccc2	11148
+CCOP(OCC)(=O)C(CC(O)C(O)C(CN(C=O)O)O)O	2618
+c1ccccc1CON2C(C=C(c3cncnc23)O)=O	11149
+C1CCCN1c2cc3c(C(=O)N(O)C(=O)N3c4ccc(cc4F)F)cc2F	2650
+C1CCN(C1)c2nc3N(c4c(F)cc(cc4)F)C(N(O)C(=O)c3cc2F)=O	2650
+c1ccccc1CON2C(=O)c3c(cc(F)c(c3)F)N(c4c(cc(cc4)F)F)C2=O	11150
+c1ccccc1COc2ccccc2-c3c(-c4c(ccc(Cl)c4)C(OCC)=O)cccc3	562
+c1c(ccc(c1F)NC(Nc2nccs2)=O)Oc3c4cc(C#N)c(O)cc4ncc3	16
+c1ccccc1OC(=O)Nc2c(cc(Oc3c4cc(c(cc4ncc3)OCc5ccccc5)C#N)cc2)F	90
+c1ccccc1COc2cc(ccc2C#N)-n3nccc3	926
+c1ccccc1COc2cccnc2CN	421
+c1([N+]([O-])=O)ccc(C(=O)NC(C(C)O)C(=O)NCC)c(c1)O	16
+c1ccccc1COc2c(ccc([N+]([O-])=O)c2)C(NC(C(=O)O)C(O)C)=O	4
+c1ccccc1COc2ccc(cc2C(=O)O)C=C	1
+c1ccccc1COc2ccsc2C(O)=O	1
+c1ccccc1COc2c(C(=O)O)cc3c(ccc(OCc4ccccc4)c3)c2	426
+c1ccccc1CNc2nc(c(O)c(C)c2C)C	321
+c1cc(ccc1)C(Oc2cc(c(O)c(c2)C)CC)=O	16
+Cc1c(ccc(Oc2cc(C(=O)O)ccc2)c1)O	16
+c1ccccc1COc2cc(ccc2C)C=O	39
+c1ccccc1COc2c(C=CC(O)CC(O)CC(=O)O)c(Cl)cc(c2)Cl	4
+c1ccccc1COc2c(ccc(C(C)C)c2)CC[N+]([O-])=O	364
+Oc1c(CNC(NCCO)=O)cccc1	16
+c1cc(ccc1)COc2c(cccc2C)C=O	39
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c(C#N)cnc4c3cc(N)c(OCC)c4	106
+c1cc(ccc1)COc2ccc(-n3ccc4c(c(cc(c34)Br)F)OCc5ccccc5)cc2F	1194
+c1ccccc1COc2c(cc(c(F)c2)N)F	0
+c1cc(ccc1)COc2c(N)cc3ccccc3c2	106
+c1ccccc1COc2c(OC)cc3c(oc(c3)C(=O)OCC)c2	5043
+c1(oc2cc(c(cc2c1)OC)O)C(=O)OCC	16
+c1ccccc1COc2cc(ccc2OC)CC(CC)[N+](=O)[O-]	3150
+c1ccccc1COc2cccc(C)c2N	0
+c1ccccc1COc2c3nc(n(CC)c3ccc2)C	2739
+c1ccccc1COc2ccc(cc2N)OCC#N	0
+c1ccccc1COc2ccc(cc2[N+]([O-])=O)CO	41
+CC(C)Oc1c(c2C(=O)N(CCc2cn1)Cc3c(nc(cc3C)C)O)Cl	700
+c1ccccc1COc2c(C=CC(CC(O)CC(OC)=O)O)c(Cl)cc(c2)Cl	770
+C1Cc2c(C1=O)c(c(O)c(c2)O)[N+]([O-])=O	16
+c1ccccc1COc2cc(cc(N)c2O)-c3ccc(cn3)C=C4SC(=O)NC4=O	0
+c1ccccc1COc2cc(Br)cc3c2n(CCOC)c(n3)C	2739
+CC(C)c1nc(oc1OCC)-c2c(Cl)cccc2O	16
+c1ccccc1COc2c(N)c(ncc2)N	13
+CN(C)c1c2c(ccc1O)C3CCC4(C(CCC4=O)C3CC2)C	16
+c1(cc(c(O)c(c1)F)OC)C(=O)O	16
+c1ccccc1COc2ccc(cc2C(O)(Cn3cncc3)C)Cl	2930
+c1ccccc1COc2ccc(F)cc2N	0
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(cc3o2)N(S(=O)(=O)C)c4cc(c(O)cc4)F)C5CC5	16
+Fc1c(cc(F)c(c1)N)O	16
+c1cc(ccc1)COc2cc(c(Br)cc2C(O)=O)OCc3ccccc3	1
+c1ccccc1COc2cc(c(cc2OC)Br)N	0
+c1ccccc1COc2c(C(=O)OC)cc(C=C)cc2	2864
+c1c(C)c(ccc1CC(N)=O)O	16
+c1cc(ccc1)COc2ccc(c(OCC(c3ccccc3)O)c2)OCc4ccccc4	74
+c1ccccc1COc2ccc(N)cc2CO	0
+Fc1cc(cc(F)c1OCc2ccccc2)N	0
+CC(C)(COC)C1N2C(=CC(C(C(OCC)=O)=C2)=O)c3cc(c(cc3C1)O)OC	16
+c1ccccc1COc2cc3CC(N4C=C(C(=O)C=C4c3cc2OC)C(=O)OCC)CC	2746
+c1ccccc1COc2c(cc3c(nccc3Oc4ccc(cc4)N)c2)C#N	0
+c1c(cc(c(Nc2c3c(cc(c(OC)c3)O)ncn2)c1)F)Br	16
+Clc1cc(c(Nc2c3c(cc(c(OC)c3)O)ncn2)cc1)F	16
+c1ccccc1COc2cc3c(cc2OC)nc(O)c(c3)C(=O)O	1
+Cc1ccccc1-c2ccc(C(OC)=O)nc2-c3ccc(c(c3)O)Cl	16
+c1ccccc1COc2cc(C(=O)NCC)ccc2N	0
+c1ccccc1COc2c(CCN)ccc(C(C)C)c2	157
+c1ccccc1COc2c(I)ccc(c2)CO	49
+c1ccccc1COc2c(ccc(C=O)c2Cl)O	5
+C(OC(CCc1ccc(OCCOC)cc1O)=O)C	16
+c1ccccc1COc2cc(ccc2CCC(=O)OCC)OCOC	159
+c1cccc(c1O)-c2cocn2	16
+c1ccccc1COc2c(CN)cccc2	162
+c1c(CC(OC)=O)c(c(cc1)C#N)O	16
+c1ccccc1COc2cc(cc(CO)c2O)F	2937
+c1(O)c(ccc2c1cc(C(=O)OC)[nH]2)OC	16
+C(C)OC(c1cc2c(cc(C)cc2O)[nH]1)=O	16
+c1cc(ccc1)COc2ccc(-n3ncc4c(OCc5ccccc5)cccc34)cc2F	1708
+c12ccc(cc1c(cc(CC(OC)=O)c2)O)F	16
+Clc1cc(O)c2cc(oc2c1)-c3nc4sc(OC)nn4c3	16
+n1c(cn2nc(C(C)F)sc12)-c3cc4c(cc(OC)cc4O)o3	16
+c1c2cc(OC)ccc2[nH]c1C(=O)N3c4c(C(CCl)C3)c5cccnc5c(O)c4	321
+n1c(cn2nc(sc12)OC)-c3cc4c(cccc4O)o3	16
+c1cc(ccc1)COc2cc(c(c3ccccc23)CCOC(C)=O)N	0
+CN(C)C(=O)c1cc2nc(C)n(CCOC)c2c(O)c1	321
+n1(c2c(cc(cc2nc1C)C(=O)OC)O)CCOC	321
+Cc1nc2c(cc(C)cn2c1C(=O)OCC)O	11151
+c1c2ncc(n2ccc1OCCOC)-c3nc4c(cc3)cccc4O	321
+c1c(cccc1-c2cc(O)c3nc(cc(O)c3c2)C(OC)=O)C	321
+c12c(cccc1n(c(C)n2)CC)O	321
+C1CCC(C1)S(=O)(=O)c2cc(c(O)c3c2cccn3)Cl	321
+c1ccccc1COc2cc(c(OC(C)C)cc2)-c3nc4c([nH]3)cc(cn4)C=O	200
+c1ccccc1COc2cc(-c3c4c(N)ncnc4n(c3)C5CC(C5)C(O)=O)ccc2	4
+c1c(OC)c(cc(-c2c3c(n(c2)-c4cc(ccc4)OCCn5ccnc5)ncnc3N)c1)O	16
+c1ccccc1COc2cc(-c3cn(c4ncnc(N)c34)-c5cccc(OCCn6cncc6)c5)ccc2OC	871
+c1ccccc1COc2cc(-c3[nH]c4ncc(CO)cc4n3)c(cc2)OC(C)C	351
+c1ccccc1COc2cc(c(N)cc2OC)C#N	0
+c1ccccc1COc2cc(C(=O)c3ncc(C)s3)c(OC)cc2	11152
+c1ccccc1COc2ccc(c(C)c2)CC(C(=O)OC)OCC	3168
+c1cc(ccc1)COc2cc(c(C=C(OCC)C(OCC)=O)cc2)C	11153
+c1ccccc1COc2cc(C=O)c(N)cc2OC	0
+c1ccccc1COc2cc3CC(CC)N=Cc3cc2OC	2742
+c1cc(ccc1)COc2cc(c3cc(C(OCC)=O)[nH]c3c2)Cl	4592
+c1ccccc1COc2cc(Cl)cn3ncc(CO)c23	11154
+c1ccccc1COc2c(N)ccc(I)c2	0
+c1ccccc1COc2cc(N3c4c(C5(CC5)C3)c(C)nc(n4)-c6ccc(OC)c(c6)F)ccc2	15
+C1CC12c3c(C)nc(-c4ccc(OC)c(c4)F)nc3N(C2)c5cccc(O)c5	16
+c1(ccc(C)n1-c2cccc(n2)-c3cc(CC)c(cc3OC)O)C	16
+c1ccccc1COc2c(ccc(c2)OCCOC)CCC(=O)OCC	159
+c1ccccc1COc2cc3onc(N)c3cc2	11155
+Cc1cc(cc(C)c1Oc2ccc(OC)c(O)c2)[N+]([O-])=O	16
+c1ccccc1COc2c(cc(C(=O)C)c(c2)N)OC	0
+c1ccccc1COc2cc([N+]([O-])=O)c(c3ccccc23)CCO	44
+c1ccccc1COc2cc(ccc2NC(C)=O)N	0
+c1c(ccc(CC(OCC)C(OC)=O)c1CC)O	16
+c1c(F)c(c(cc1)F)C(Nc2nn(cc2)Cc3c(cc(O)cc3)Cl)=O	16
+c1(ccc(C)n1-c2cccc(-c3ccc(cc3C4CC4)O)n2)C	16
+CC(C)(C(OC)=O)Oc1c(C)cc(cc1)O	16
+c12c(Oc3cc(O)cc(OC)c3C1=O)cccc2	16
+c1ccccc1COc2cc(CO)cc(F)c2OC	98
+c1ccccc1COc2cc(cc3c2C(OB3O)CC(OCC)=O)O	805
+C(OC(=O)CC1c2c(B(O1)O)cc(Oc3cnccn3)cc2O)C	16
+Cc1cc2c(cc(C(=O)N)[nH]2)c(c1)O	16
+c1ccccc1COc2cc(cc3B(OC(CC(OCC)=O)c23)O)Oc4nccnc4	842
+c1ccccc1COc2cc(ccc2)-c3c(cc(cc3)Cl)N	0
+c1ccccc1COc2cccc(-c3cc(CCCO)ccc3)c2	21
+c1nc(ncc1Br)Nc2cccc(OCc3ccccc3)c2	55
+N=C(Nc1cccc(c1)O)N	16
+c1cc(-n2nccc2)cc(c1C#N)O	16
+c1ccccc1COc2cc([N+]([O-])=O)ccc2C(=O)O	1
+c1(cccc(c1)C(=O)N)N2C(CC(c3c(cc(OC)cc3)O)C2)=O	16
+C(OC(CCc1ccc(cc1O)OCOC)=O)C	16
+c1ccccc1COc2cc(cc3c(O)cc(C(OC)=O)nc23)Br	11156
+c1ccccc1COc2cc(ccc2O)CC(O)=O	3
+c1ccccc1COc2cc(ccc2OC)C3CNC(=O)C3	11157
+C1NC(=O)CC1c2ccc(OC)c(c2)O	16
+c1ccccc1COc2cc(ccc2OC)CC(CC)N	157
+c1ccccc1COc2cc(N)ccc2OCCOC	0
+c1ccccc1COc2c([N+]([O-])=O)ccc(c2)CO	41
+c1ccccc1COc2cc(ccc2N)CC(C(=O)CC)C	0
+c1ccccc1COc2cc(cnc2Nc3scc(C)n3)CC=O	11158
+c1ccccc1COc2cc(cnc2Nc3scc(C)n3)C=COC	5008
+c1ccccc1COc2ccc3C(=O)N(CC(C)C)C(=C(c4ccccc4F)c3c2)C(O)=O	127
+c1ccccc1COc2cc3C=CCc3cc2	1358
+c1ccccc1COc2c(cc3C4=CC(C(C(OCC)=O)=CN4C(C(C)(C)COC)Cc3c2)=O)OC	2746
+C1(C(=O)OCC)=CN2C(CC)Cc3c(cc(OC)c(c3)O)C2=CC1=O	16
+CC1(C)c2ccc(O)cc2OC1	16
+c1ccccc1COc2cc3C(CCc3cc2)O	74
+C(C(=O)OCC)c1c2c(cc(O)c1)cccc2	16
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(c(OC)c3)O	16
+c1(cc2c(c(C#N)cnc2cc1F)Cl)O	16
+O(C)CCOc1cc2ncc(C#N)c(c2cc1O)Cl	16
+c1ccccc1COc2cc3c(cc2)CNCCO3	162
+c1c2c(ccc1O)n(cc2)Cc3cc(ccc3)C(=O)OC	16
+c1ccccc1COc2ccc3ncc(c(NC)c3c2)N	13
+c1c2c(ccc1O)n(cc2)C	16
+c1ccccc1COc2ccc3c(n(C4OCCCC4)nc3C=O)c2	178
+c1ccccc1COc2nn3CCNCc3c2	729
+c12nc(sc1c3ccc(cc3nc2)O)CCC	16
+c1([nH]nc(c1)Nc2c3ccc(cc3ncn2)O)CC(Nc4cccc(c4F)F)=O	16
+c1(cc(c(cc1)O)C#N)-c2cc(ccn2)C(=O)OC	16
+c1ccccc1COc2cc3OCC(C)(C)c3cc2	11159
+O=S(=O)(Nc1c(OCc2ccccc2)ccc(C(CBr)O)c1)C	74
+c1ccccc1COc2ccc(C(O)CN3CCC(CC3)(c4ccc(OC)nc4)O)cc2F	74
+c1ccccc1COc2ccc(C(O)CN)c3SC(Nc23)=O	18
+C1CN(CCC1(c2ccc(OC)nc2)O)CC(O)c3cc(F)c(O)cc3	16
+c1ccccc1COc2ccc(C)c(c2F)C(O)=O	1
+c1ccccc1COc2ccc(cc2CC)O	1437
+c1ccccc1COc2ccc(cc2N)CCN	51
+c1ccccc1COc2ccc(CC#N)cc2N	0
+C1CCN1C(Cc2ccc(cc2C#N)O)=O	16
+C(C)OC(c1n(c2c(c(Cl)ccc2O)c1)C)=O	321
+Clc1cc(C(Nc2nnn[nH]2)=O)c(cc1)O	16
+c1ccccc1COc2ccc(Cl)cc2Cn3ncc([N+]([O-])=O)c3	309
+c1ccccc1COc2ccc(Cl)cc2Cn3nc(cc3C)C#N	331
+c1ccccc1COc2ccc(cc2Cn3ncc(N)c3)Cl	209
+c1cc(cc(F)c1OC(C)C(OCC)=O)O	16
+C(C(OCC)C(OC)=O)c1ccc(cc1C)O	16
+c1ccccc1COc2cc(c(-c3c(ccc(C(C)C)c3)OC)cc2)CO	41
+c1ccccc1COc2cc(c(CC(C(=O)OC)OCC)cc2)CC	3168
+c1cc(ccc1)COc2cc(ccc2CO)OCc3ccccc3	41
+c1c(F)c(c(cc1)F)C(Nc2nn(cc2)Cc3c(C)cc(cc3)O)=O	16
+c1c(F)c(c(cc1)F)C(Nc2ccn(Cc3c(ccc(O)c3)Cl)n2)=O	16
+c1ccccc1COc2c(c(N)c(C#N)cc2)OC	0
+c1cc(ccc1-c2n(-c3ccc(Cl)cc3Cl)nc(C(=O)OCC)c2C)O	16
+c1ccccc1COc2cc3c(c4c(c(cc(Br)n4)C(=O)OC)[nH]3)cc2	5075
+c1cc(ccc1)Cc2ccc(cc2)OCCCn3c(-c4ccc(cc4)OCc5ccccc5)ccc3C	20
+c1cc(ccc1-c2n3nccc3nc4CCCc24)O	16
+C1CCCCN1NC(c2nc(n(c2C)-c3ccc(cc3)O)-c4c(Cl)cc(cc4)Cl)=O	16
+c1cc(ccc1-n2c(c(nc2-c3ccc(cc3Cl)Cl)C(=O)OCC)C)O	16
+c1ccccc1COc2ccc(cc2)-n3c(-c4c(Cl)cc(cc4)Cl)nc(C(=O)O)c3C	6
+c1cc(ccc1C(Cc2ccncc2)=O)O	16
+c1cc(ccc1C(CO)CO)OCc2ccccc2	1257
+c1cc(ccc1-c2nc(on2)-c3ccc(cc3)OCc4ccccc4)Oc5ccncc5	2304
+c1cc(ccc1C(NCCC(=O)OC)=O)O	16
+c1ccccc1COc2ccc(cc2)C(CNC3CCc4c(C3)cc(cc4)O)O	15
+c1cc(ccc1C2(CC2)c3nc4c(nc(-c5c(F)cc(cc5)CN6CC(C6)C(OC)=O)s4)cc3)O	16
+c1ccccc1COc2ccc(cc2)C3(CC3)c4nc5c(nc(-c6c(F)cc(cc6)C=O)s5)cc4	2910
+c1cc(ccc1C2=CC=CN(C2=O)C)O	16
+c1cc(ccc1C2C(F)(F)CN(CC2)C3C(N(Cc4cc(c(C)cc4)F)CC3)=O)O	16
+c1cc(ccc1CC2OC(C)(C)OC2=O)O	16
+c1ccccc1COc2ccc(cc2)CCCN	51
+c1cc(ccc1CCCN)O	16
+C1C(CC1)(C2=NCCc3ccc(OCc4ccccc4)cc23)c5c(cc(cc5)Cl)OC	1120
+c1cc(ccc1O)Cc2cc(-c3cccnc3N)on2	16
+c1cc(ccc1O)Cc2noc(c2)-c3ccc(N)nc3N	16
+c1ccccc1COc2ccc(cc2)Nc3ncnc4cnc(cc34)-c5nnc(o5)C	73
+c1ccccc1COc2ccc(cc2)N(c3ccc(cc3)C(COC)C)C	21
+c1ccccc1COc2ccc(cc2)N(C)c3ccc(cc3)C(CCN)C	51
+c1ccccc1COc2ccc(cc2)N(C)c3ccc(cc3)C(C)CO	88
+c1cc(ccc1O)N2c3c(N(C(C)C)C2=O)cccn3	16
+c1ccccc1COc2ccc(cc2)N3CC(CC3=O)COC	21
+c1cc(ccc1O)N2C(N(c3cccnc23)CC)=O	16
+c1cc(ccc1N2CC(CO)CC2=O)OCc3ccccc3	88
+c1cc(ccc1Oc2nc(ncc2)Cl)OCc3ccccc3	185
+c1cc(ccc1OCCBr)O	16
+c1cc(ccc1OCCCc2ccc(cc2)OCc3ccccc3C(OC)=O)O	16
+c1ccccc1COc2ccc(cc2)OCCCc3ccc(cc3)OCc4c(C(=O)O)cccc4	1
+O(CC)C(c1cccc(-c2ccccc2-c3c(ccc(Cl)c3)O)n1)=O	16
+c1ccccc1COc2ccc(Cl)cc2C(=O)Nc3[nH]nnn3	4713
+CCC(CC)(c1ccc(O)c(c1)C)c2oc3c(ccc(C(=O)OC)c3)n2	16
+c1ccccc1COc2ccc(N)cc2Cl	0
+c1c(cc2n(ncc2c1O)-c3cc(F)c(cc3)O)F	16
+c1(ccc(OC)nc1C(=O)OC)O	321
+c1ccccc1COc2cc3c(C(N(CC(C)C)C(CO)=C3OCCCC)=O)cc2	3747
+c1ccccc1COc2cc3c(C(N(C(CO)=C3c4c(F)cccc4)CC(C)C)=O)cc2	11160
+c1ccccc1COc2ccc3OC(C)(C)CC(O)c3c2	74
+c1ccccc1COc2cc3C=CC(C)(C)Oc3cc2	1358
+c1ccccc1COc2ccc3c(c2)c4n(c(nc4c(n3)N)CC)C	445
+c1c2cc([nH]c2ccc1O)CC(C)C(OC)=O	16
+c1ccccc1S(=O)(=O)n2c3ccc(OCc4ccccc4)cc3cc2	367
+c1ccccc1COc2ccc3c(nc(N)c4c3n(c(n4)COC(C)=O)CC(C)(C)O)c2	445
+n1(c2ccc(O)cc2c(C(=O)C)n1)CC(OC)=O	16
+c1(n(c2c(c(N)nc3ccc(O)cc23)n1)C)CC	16
+c1ccccc1COc2ccc3c(ncc4c3C(O)CCC4)c2	59
+c1cc2c(cc(cc2)C(=O)O)cc1O	16
+c1c2c(ccc1O)n(cc2)C(C(OC)=O)C	16
+c1c2c(n(CC(OCC)=O)cc2)ccc1O	16
+Clc1cccc(c1)-c2c(C(=O)N)sc(-n3cnc4c3cc(cc4)O)n2	16
+c1ccccc1COc2ccc3c(n(cn3)-c4nc(c(C(=O)O)s4)-c5cc(ccc5)Cl)c2	6
+C1CCCN1c2cc(C)nc3c2ccc(O)c3	16
+O=S(=O)(C)NC(C)(C)Cn1c2c3c(ncc2nc1COCC)cc(O)cc3	16
+c1ccccc1COc2cc3n(C4OCCCC4)nc(CO)c3cc2	194
+CC(C)n1c(C(O)=O)cc2cc(OCc3ccccc3)ccc12	6
+c1ccccc1COc2ccc3n(CCC(=O)O)ccc3c2	3
+c1c2c(ccc1O)n(CCC(OC)=O)cc2	16
+c1c2cc3C(=O)NCC(n3c2ccc1O)C	16
+C1CC(CCC1)C(c2oc3c(c2C)cc(OCc4ccccc4)cc3)O	11161
+c1ccc(O)cc1-c2cc(CCCO)ccc2	16
+C1CCC1(Oc2cc(-c3cccc(O)c3)ccc2)C(=O)OCC	16
+c1ccccc1COc2cccc(C3CC(=O)NC3)c2	1980
+c1cc(ncc1Br)NC(c2cccc(c2[N+]([O-])=O)O)=O	16
+c1ccccc1COc2cc(ccc2)C=CCO	5083
+c1ccccc1COc2cccc(C=O)c2C	39
+c1ccccc1COc2cccc(F)c2N	0
+CCOC(OCC)c1cc2cncc(-c3cc(O)ccc3)c2o1	16
+C1COCCN1c2nc(nc3c2[nH]cc3)-c4cc(ccc4)OCc5ccccc5	4161
+c1ccccc1COc2cccc(CO)c2C	49
+c1(cc(c2cccc(c2n1)O)OCC(OCC)=O)C	321
+c1(cc(c2cccc(c2n1)O)C(=O)OCC)C	321
+C(C)OC(c1n(c2cccc(c2c1)O)C)=O	16
+c1cc(ccc1Cc2c(OCc3ccccc3)cccc2)CO	49
+c1ccccc1COc2c3n(ccc2)cnc3	1905
+c1ccccc1COc2c(cncc2)N	13
+CC(C)(C)[Si](C)(C)OCc1c(cncc1O)OCc2ccccc2	321
+c1ccccc1COc2nc(C)cc(C)c2CN3C(c4c(CC3)c(cc(C(CC)O)c4Cl)Cl)=O	74
+c1(nc(O)c(c(C)c1)CN2C(=O)c3c(CC2)c(Cl)cc(c3Cl)C(OC)CC)C	700
+c1ccccc1COc2cc3n(CCNC3=O)n2	780
+c1cc(ccc1N2C(C=3N(CC2)NC(=O)C=3)=O)F	11162
+c1cc(ccc1F)C(N2CC=3N(NC(=O)C=3)CC2)=O	11163
+c1ccccc1CS(=O)(=O)NC2=CN(C(=O)N(CC(=O)O)C2=O)COC	3
+c1ccccc1CS(c2ccc(c([N+]([O-])=O)c2)N)=O	106
+c1cc(ccc1)CS(=O)c2ccc(N)c(N)c2	0
+c1ccccc1CSC(CCC)(C)CCO	44
+C(C)CC(C)(CCO)S	11164
+c1ccccc1CSc2c(cc(N)cn2)C(C)C	13
+c1ccccc1CSc2nc(N)c(c(Cl)n2)N	193
+Nc1sc2c(nc(nc2n1)S)NC(C)CO	11165
+c1cc(ccc1)Cc2c(nnn2-c3c(cccc3)F)C(O)=O	1
+c1ccccc1Cc2nnc(N3CCN(C(C)C3)c4ncc(nc4)C(=O)OC)c(c2C)C	317
+c1ccccc1Cc2c(ccc(CO)c2)F	41
+c1ccccc1Cc2c(ccc(-c3ccc(CCC#N)cc3CC(C)C)c2)O	5
+O=S(=O)(N)c1cc(cc(SC)c1Cc2ccccc2)CO	217
+c1cc(ccc1)Cc2c(Oc3c(cc(F)cc3)C(C)O)nc4c(cc(cc4)NC(Nc5cccc([N+](=O)[O-])c5)=O)c2	74
+C1CN(CCN1c2ccc(N)cn2)c3nnc(c4ccccc34)Cc5ccccc5	13
+C1CN(CCN1c2ncc(cn2)C#N)c3nnc(c4ccccc34)Cc5ccccc5	117
+c1ccccc1-c2cn(-c3ccc4c(cc(Cc5ccccc5)c(n4)Oc6c(cc(F)cc6)C(C)O)c3)nn2	74
+c1ccccc1Cc2cccc(c2)-c3nc(c(N)c(n3)O)N	11166
+c1cc(ccc1)Cc2c(cccc2)CO	217
+c1ccccc1Cc2nc(no2)CCCN3C(N(CCCC)c4c([nH]c(Cl)n4)C3=O)=O	3251
+c1ccccc1Cc2nnc(N3CCN(C(C)C3)c4ncc(nc4)C(=O)O)c(c2C)C	1
+c1ccccc1Cc2onc(C(=O)O)c2	6
+c1ccccc1Cn2c(C)nc3N(C(N(C(c23)=O)CCCCC(O)C)=O)C	59
+Cc1nc2N(C(N(CCCCC(O)C)C(c2[nH]1)=O)=O)C	2152
+c1ccccc1Cn2c(ccc2-c3ccc4c(ccc(OCC(O)=O)c4)c3)-c5ccccc5	4
+c1ccccc1Cn2c(-c3cc4ccc(O)cc4cc3)ccc2-c5ccccc5	5
+c1cc(ccc1)CN2C(=O)Nc3c(nc(NCCOC)nc23)N	1604
+c1ccccc1Cn2c3c(c4c2ccc(C)c4)c(ccc3)OCCNC	695
+c1ccccc1Cn2c3c(cc2C)c(O)ccc3	5
+c1ccccc1Cn2c3c(c(C(N)=O)ccc3)c4c2cccc4OCC(O)=O	4
+c1ccccc1Cn2c3c(cc(OCCCC(O)=O)cc3)c(CC(=O)N)c2	3
+c1ccccc1Cn2c3c(O)ncc(Br)c3cc2C(OCC)=O	3107
+c1ccccc1Cn2c3cc(cc(C(N)=O)c3c4cc(O)ccc24)-c5c(C)noc5C	5
+c1ccccc1Cn2c3c(c(C(O)=O)cc(c3)-c4c(C)noc4C)c5cc(ccc25)OC	1
+c1ccccc1Cn2c3c(c4c(cccc24)OCCN)cc(C)cc3	51
+c1ccccc1Cn2c3c(cc2C)c(O)ccc3	16
+c1ccccc1Cn2c(CC)cc3c(O)cccc23	5
+c1ccccc1Cn2cc(c3cc(ccc23)OC)CC(=O)N	4674
+c1ccccc1Cn2cc(c3cc(O)ccc23)CC(=O)N	5
+c1cc(ccc1)Cn2c(cc(n2)OCCC)CCC(OCC)=O	1253
+c1cc(ccc1)Cn2ncc(c2C(=O)O)C(OCC)=O	6
+c1ccccc1N(C(=O)CC)C2CNCCC2	25
+c1cc(ccc1)N(CCNC)c2cccc3[nH]ccc23	15
+c1ccccc1N2C(C=3C(C(C(O)=O)=CNC=3)=N2)=O	108
+c1cc(ccc1)N2C(=O)c3c(C(=N2)CC(O)=O)c4c(cccc4)n3C	992
+c1ccccc1N2CCN(CC2)CCCOc3c(Cl)ccc(N)c3	0
+c1cc(ccc1)N2CCN(CC2)CC(=O)Nc3cccc(-c4cnc5c(n4)cccc5)c3	224
+C1CCCCCC1(N2CCC3(CC2)C(NCN3c4ccccc4)=O)c5ccccc5	11167
+c1ccccc1N2N(C(=C(C(Nc3ncc(Oc4ccnc(N)c4)cc3)=O)C2=O)C)C	1779
+c1ccccc1OC(=O)Nc2nccc(Oc3ccc(NC(=O)C=4C(=O)N(c5ccccc5)N(C=4C)C)nc3)c2	278
+c1ccccc1N2N=C3C(CCc4c3cc(N)cc4)CC2=O	0
+C1CC(CCN1CCNc2ccccc2)OCOC	15
+c1ccccc1NC(c2cc(c(cc2)N)[N+](=O)[O-])=O	0
+c1cc(ccc1)NC(c2ccc(N)c(N)c2)=O	0
+c1ccccc1NC(=O)c2nccc(N3CC(CC3)=O)c2	86
+c1cc(ccc1)NC(C(=O)O)c2cccc(c2)F	4
+c1ccccc1NC(c2cccc(c2)C3Nc4c(C(C)(C)C3)cc(C(=O)O)cc4)=O	6
+c1ccccc1NC(c2ccnc(c2)O)=O	104
+c1ccccc1NCCn2c3ncnc(c3c(-c4cc(cc(O)c4)F)n2)N	5
+c1cc(ccc1)N(Cc2cc(O)nc3ccccc23)Cc4occc4	507
+c1ccccc1NS(=O)(=O)c2cc(CN)c(Oc3cc(c(SC)cc3)C)cc2	107
+c1cc(ccc1)Nc2cc(C(O)=O)ccc2C(O)=O	11168
+c1cc(ccc1)Nc2ccc(C(O)=O)cc2N	0
+CC1(C)c2c(-c3ccccc13)cc4c5ccccc5[nH]c4c2	11169
+c1ccccc1Nc2cccc(c2CN)-c3ccccc3	107
+c1cc(ccc1)Nc2ccccc2O	5
+c1ccccc1Nc2cnc(C(NCC(=O)O)=O)cc2	3
+c1ccccc1Nc2nc(cc(CO)n2)C	88
+c1cc(ccc1)Nc2nc(ccc2C(NC)=O)CCCCNC(NCc3cccnc3)=O	587
+c1ccccc1Nc2ncccc2N	13
+c1ccccc1Nc2nn(cn2)-c3cc(N)ncc3	755
+C1CN(CCC1N(C(Nc2cc(ccn2)Oc3cc(c(NC(C4(CC4)C(Nc5ccccc5)=O)=O)cc3)F)=O)C)CC	2562
+c1ccccc1OC(Cc2ccc(cc2)OCCNC(=O)c3ccc(cc3)-c4ccccc4)C(O)=O	3
+c1ccccc1OC(Cc2ccc(cc2)OCCN)C(OCC)=O	18
+c1cc(ccc1)OC(=O)Nc2cccc(C#Cc3cnc(nc3)N)c2	90
+c1ccccc1OC(Nc2cccnn2)=O	278
+c1ccccc1OC(=O)Nc2cnc(C#N)cn2	2205
+n1cc(cnc1Cl)C#Cc2cccc(c2)NC(=O)Oc3ccccc3	90
+c1cc(ccc1)OC(Nc2cc(-c3cnco3)cc(c2)-c4cnco4)=O	90
+C1CN(CCC1Cc2ccccc2)C(C(=O)c3ccc4c(c3)sc(N)n4)COc5ccccc5	155
+c1ccccc1OCC2CCC(CC2)N(C(Nc3ncc(SCC(O)=O)s3)=O)C4CCCCC4	3
+c1ccccc1OCC2OCCN(S(=O)(=O)c3c4c(c(cc(c4)Cl)N)[nH]c3C(=O)OCC)C2	13
+c1ccccc1OCCC(CO)N	95
+c1ccccc1OCCC2CN(C)CCN2	2062
+c1ccccc1OCCCCC(C(OCC)=O)C	2283
+c1ccccc1OCCCCC(CO)C	21
+c1ccccc1OCCCCC(C(O)=O)C	3
+c1ccccc1OCCCCCC(c2oc(-c3ncccc3)cn2)=O	11170
+c1ccccc1OCCCCCCCCCCCO	21
+c1ccccc1OCCCCCOc2cc(ccc2)N	0
+c1ccccc1OCCN(c2c(C(O)=O)nc(-c3ccc4OCCN(C(=O)Nc5nc6c(cccc6)s5)c4c3)s2)C	6
+c1ccccc1OCCNc2c(N)cnc3ccccc23	13
+c1ccccc1OCc2oc3ccc(cc3c2)CN	107
+c1cc(ccc1)Oc2c(ncc(Br)c2)NC(=S)N	401
+c1ccccc1Oc2cc3c(OC(=CC3=O)C(=O)O)cc2NS(=O)(=O)C	108
+c1cc(ccc1)Oc2c(Br)ccc(c2N)O	0
+c1ccccc1Oc2ccc(cc2N)F	0
+c1ccccc1Oc2c(cc(N)cc2)C	0
+c1cc(ccc1)Oc2ncccc2N	13
+c1ccccc1Oc2c(ccc3c2CCC(C)N3C(=O)C4CC4)-n5cccn5	901
+c1ccccc1Oc2ccc3CC(C(=O)c4oc(cn4)-c5nc(C(=O)OC)ccc5)CCc3c2	11171
+c1ccccc1Oc2cc(N)c(O)cc2	0
+c1cc(ccc1CCC(S(=O)(=O)C)(C)C(=O)O)Oc2ccccc2	3
+c1ccccc1Oc2ccc(cc2)COc3c(F)cc(cc3)CCC(O)=O	3
+c1ccccc1Oc2ccc(Cl)cc2N	0
+c1ccccc1Oc2c(N)cc(cc2)O	0
+c1ccccc1Oc2ccc3CC(C(=O)c4oc(cn4)-c5nc(C(=O)O)ccc5)CCc3c2	1
+c1ccccc1Oc2cccc(c2)C(CO)C#N	237
+c1cc(ccc1)Oc2cccc(c2N)CC(=O)OCC	0
+c1cc(ccc1)Oc2cccc3NC(C)CCc23	2648
+c1ccccc1Oc2c(cccc2)Cn3ccc(C(=O)O)n3	6
+c1ccccc1Oc2ncc(cn2)-c3[nH]nc(c3)C(O)=O	6
+c1ccccc1Oc2nccc(n2)C(=O)O	1
+c1ccccc1P(c2ccccc2)c3ccc4ccccc4c3-c5c(ccc6ccccc56)NS(=O)(=O)C	11172
+c1cnccc1-c2ccnc3ccc(cc23)C=CC(=O)OC	530
+O=C(OCC)C(C)=Cc1ccc([N+]([O-])=O)cc1F	11173
+c1ccccc1S(=O)(=O)C2CN(C(C(=O)O)C2)c3cc(C)nn3-c4cc(Cl)ncc4	4
+c1cc(ccc1)S(=O)(=O)CC(=O)Cn2cncc2	5088
+c1cc(ccc1)S(=O)(=O)Cc2c(N)ccc(c2)N3CCN(CC3)Cc4ccccc4	0
+O=S(=O)(c1ccccc1)Nc2cc(cnc2)Br	322
+C1CN(CCC1C(c2ccc(cc2)F)NCCc3ccccc3)S(=O)(=O)c4ccccc4	1218
+c1ccccc1S(=O)(=O)N2CCC(CC2)Cn3ccc4nc(-c5c[nH]nc5)ccc34	747
+C1CNCCN1c2cc3cc(C(=O)OC)oc3cc2	11174
+C1CN(CCN1c2cc(C)ccc2C)C(=O)C3N(C3)S(=O)(=O)c4ccccc4	11175
+c1ccccc1S(=O)(=O)NC(c2cc(N)c(cc2)NC(C)=O)=O	0
+O=S(=O)(NCC1=CC(=O)C(=CO1)O)c2ccccc2	2306
+c1ccccc1COC2=COC(=CC2=O)CN	11176
+Cc1nnsc1C(=O)c2[nH]c3ccc(Cl)cc3c2CC(OC)=O	11177
+c1ccccc1S(=O)(=O)Nc2cccc(c2)S(=O)c3ccc(c(CNCCC)c3)N	0
+c1ccccc1S(=O)(=O)Nc2cc(ccc2)Sc3ccc(N)c(c3)CNCCC	0
+O=S(=O)(c1ccccc1)c2ccc(N)c(O)c2	0
+c1ccccc1S(=O)(=O)c2cc(O)c([N+](=O)[O-])cc2	5
+O=S(=O)(c1ccccc1)c2ccc(cc2)O	5
+c1ccccc1S(=O)(=O)c2ccc(nc2)CN	421
+c12ccc(Cl)nc1cc(C#N)[nH]2	3131
+Brc1ccnc2c1cc(C)[nH]2	1017
+CN(C)Cc1[nH]c2c(c1)cc(cn2)[N+]([O-])=O	1017
+c1ccccc1CCc2cc3c(cc2)[nH]c4ncc(Cl)cc34	5056
+c1ccccc1S(=O)(=O)n2c3cc(F)ccc3c(-c4cc5oc(CCl)nc5cc4)c2	2037
+c1ccccc1S(=O)(=O)n2c3c(cc2)cc(cc3)O	16
+O=S(=O)(c1ccccc1)n2cc(CO)c3ccccc23	269
+O=S(=O)(c1ccccc1)n2c(cc(c2)CO)Br	382
+c1ccccc1S(=O)(=O)n2c3ncc(-c4c(cn[nH]4)-c5nc(ncc5)SC)cc3cc2	747
+c1cc(ccc1)SC(CN)c2c3ccccc3ccc2OC	157
+c1cc(ccc1)Sc2ccccc2CN	162
+c1cc(ccc1)Sc2ccc(cc2N)C	0
+c1cc(ccc1)C(CCCn2cnc3c2c4c(nc3)cccc4)O	3151
+c1ccccc1[Si](c2ccccc2)(N3C(=O)CC3C=O)C(C)(C)C	24
+C1CC(CCN1C(=O)COC(=O)C)CO	701
+c1cc(ccc1)[Si](c2ccccc2)(OCCC3(CCCCC3)CC)C(C)(C)C	2836
+C1(C)(CCC(CC1CCO)OC(=O)C)C2CCC3(C)C(CCC3C2OC(C)=O)=C	5105
+c1ccccc1[Si](c2ccccc2)(Oc3ccc(cc3)-c4c(cc(cn4)Br)Cl)C(C)(C)C	119
+C1CCCC(n2c3cc(ccc3c(n2)C(=O)OCC)O)O1	11178
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)N3C(CC3=O)CO	118
+c1ccccc1[Si](c2ccccc2)(N3C(=O)CC3COCc4ccccc4)C(C)(C)C	21
+c1ccccc1[Si](c2ccccc2)(OC3CC4OC(CC4C3CCC5(OCCO5)COc6cccc(Cl)c6)O)C(C)(C)C	2697
+c1ccccc1[Si](c2ccccc2)(OCC3=CC=CN(c4c(cc(N)cc4)Cl)C3=O)C(C)(C)C	0
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3C(=O)CCCO3	86
+C(O)C1C2C(C)(CCC1C3(C)C(COC(=O)C)CC(OC(=O)C)CC3)C(=C)C(C2)OC(C)=O	5105
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC3CCC(CN3C(c4nc(ccc4-c5ncccn5)C)=O)C	147
+c1cc(ccc1)[Si](c2ccccc2)(OCCN(Cc3ccc(cc3)C=O)C)C(C)(C)C	39
+c1cccn1-c2c(cc(cc2OCC)CN3CCC(CC3)Nc4nc5c(N)cccc5o4)OCC	13
+c1ccn(c1)-c2cc(CO)cc(C(=O)OC)c2	49
+c1cccn1-c2cc(cc(N)c2)[N+]([O-])=O	0
+c1(nc2ccccn2c1CCC)CO	2068
+c1cccn2c(cnc12)CO	1125
+c1cccn1-c2cc(C(=O)O)cc(c2)C(=O)OC	1
+c1ccn(c1)-c2cc(cc(N)c2)NC(=O)C	0
+c1ccn(c1)-c2cc(CC)c(nc2C)O	104
+N1(c2ncc(cc2C(=O)Nc3cccnc13)Br)CC	4735
+c1cnc(C(=O)c2ccccc2OC)n1CC(c3ccc(c(c3)Cl)Cl)CCO	168
+C1CC2CCOC(=O)N2CC1c3ncc4c(Cl)nccn34	856
+C1CC2COCC(=O)N2CC1c3ncc4c(Cl)nccn34	856
+C1CN(C(CC1c2ncc3c(Cl)nccn23)=O)C	856
+c1nn(C)c2CCCC(c3ncc4c(Cl)nccn34)c12	856
+c1(Cl)nccn2c1cnc2	5033
+c1cnc(SCOC)n1-c2cccc(C=3CC(Nc4c(ccc(c4)-c5ccccc5F)N=3)=O)c2	1222
+Nc1cccc2c(nccc12)C#N	0
+Nc1cccc2c(nccc12)O	0
+n1c(c2ccncc2nc1Cl)Nc3ncn(C)c3	11179
+c1cnccc1-c2c(-c3ncco3)nc(N)c(N)c2	13
+c1cc(ccn1)-c2c(F)c(N)ccc2F	0
+c1cc(ccc1Cl)C=2C=CN3C(=O)NN=C3C=2c4ccncc4	11180
+C1CNCCC1c2cccc3NC(Cc23)=O	1413
+c1cnccc1-c2c3c(nc(Nc4ccc5NC(CCc5c4)=O)nc3NC6CC6)[nH]c2	392
+C1CC(CCN1)c2c(cc(c3c2CCO3)N)C	1413
+c1cnccc1-c2cc(CC#N)cc(c2)C=O	39
+c1cnccc1-c2nc3n(C(C)C)ncc3c(C(O)=O)c2	6
+C1CC(CCN1)c2ccc(cc2)C(C)C(NCC)=O	1413
+c1cnccc1-c2ccc(cc2)C(C(=O)O)CC3CCCC3	4
+c1cnccc1-c2ccccc2N	0
+c1cnccc1-c2cn(CCO)nc2-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F	168
+c1cnccc1-c2nc(Oc3c(C)cccc3)c(cn2)C(O)=O	6
+c1cnccc1-c2ncccc2OC3CCNCC3	25
+c1cc(ccn1)-c2nn3c(cccc3Cl)c2	3169
+c1cnccc1Cc2c3ccccc3[nH]c2	2188
+c1cnccc1Cc2c[nH]c3c2cc(cc3)F	2188
+c1cc(ccn1)C2(c3cc(ccc3)O)c4cccnc4C(=N)N2	11181
+c1cnccc1C=Cc2cncc(c2)C=Cc3cc(Nc4ncccc4N)ccc3	13
+O(C)c1cc(ccc1)C(c2cccc(OC)c2)(CC3CCNCC3)O	2126
+c1cnccc1CN2CCCC2c3cc(O)ccc3	5
+c1cnccc1CNC(N2CCCCC2COc3c(c(N)ccc3)C#N)=O	0
+C1CC(CCN1)Cc2c[nH]c3ccccc23	2126
+C1CC(CCN1)Cc2c3cc(F)ccc3[nH]c2	2126
+c1cc(ccn1)NC(=O)c2[nH]nc(Nc3c4occc4nc(Cl)n3)c2	187
+c1cnccc1N2CCC(CC2)CO	647
+c1cnccc1N2CCC(CC2)CO	44
+c1cc(ccn1)OCc2nc3n(c2)nc(cn3)-c4c(F)cc(F)cc4	2303
+c1cc(ccn1)OCCCN	45
+c1cnccc1SCC2=Nc3cc(nn3C(=O)C2)-c4ccco4	11182
+c1cnn(c1C(=O)c2c(Cl)c(Cl)c(c(CC=C)c2)OCC(=O)O)C	3
+c1(CC=C)cc(C(c2ccnn2C)=O)c(c(Cl)c1O)Cl	423
+c1cnn(c1C(=O)c2cc(O)c(c(Cl)c2Cl)O)C	2990
+c1csc(C(NCC(C(=O)O)NC(=O)c2ccc(C(=O)NCc3cc(O)ccc3)cc2Cl)=O)c1	4
+c1csc(c1Cl)C(NC(Cc2ccc(CCCc3ccc4c(n3)NCCC4)cn2)C(=O)O)=O	4
+Oc1c(cccc1)CC(=O)c2cn(CCCCC)c3ccccc23	5
+c1n(CCCn2ccc3ccccc23)ncc1N	5091
+OP(O)(=O)COCC(CO)On1cnc2c(N)ncnc12	228
+c1n(c2ncccc2n1)-c3ccc4c(C(=O)CC4C(=O)O)c3	3
+c1n(nc(I)c1CO)C2CCCCO2	11183
+Ic1c(cn(n1)C2CCCCO2)C=O	576
+c1n2c(nc1)ccc(CO)n2	398
+c1nc(c2n1-c3ccc(cc3C(N4C2CC4)=O)F)C#N	1751
+c1nc(C(=O)O)c2n1-c3ccc(cc3C(N4C2CC4)=O)F	6
+c1cc(C)ncc1CO	295
+c1cc(C)ncc1COC	382
+OCc1cnc(Cl)cn1	88
+c1nc(Cl)nn1-c2ccc(N)cc2OC	0
+c1(nccc(O)c1C)CSc2nc3ccccc3[nH]2	5
+c1c(I)cc(c(NCc2cc(c(OCc3ccc(nc3)OC)cc2)OC)n1)N	13
+c1c(I)cc(c(NCc2ccc(OCc3ccc(nc3)OC)c(c2)OCC)n1)N	13
+Nc1c(Cl)ncc(c1)[N+](=O)[O-]	13
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)C#N	1751
+c1nc(c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C)C#N	1751
+c1nc(c2N=NN(CC(=O)O)C(=O)n12)C(=O)N	3
+c1nc(C(=O)O)c2n1-c3c(c(ccc3)CCN4CCN(c5c6c(cc(c5)F)nc(C)cc6)CC4C)OC2	6
+c1n2ncc(Br)c2cc(c1)C(=O)N(CC)c3ncc(C#N)cc3	11184
+n1(-c2ncccc2Cl)ncc3c(ncnc13)OC(CCOC)C(=O)Nc4ccc(cn4)C	11185
+c1nc(ccc1C)NC(=O)C(CCOC)O	948
+n1cccnc1-c2cccc(c2)CCN	51
+c1nc(ncc1)C(O)CCl	11186
+n1cccnc1C(F)(F)CO	44
+c1nc(ncc1)COc2cc3c(n(nc3C(C)=O)CC(OC)=O)cc2	2818
+c1c(Cl)c(c(cc1)Cl)C(=O)c2n3cccnc3cn2	11187
+c1nc(ncc1)N(C)c2ccc(cc2)C=CCC(C(=O)O)NC(c3c(Cl)cccc3Cl)=O	4
+C1CN(CCN1C(=O)Cn2c(-c3ccccc3)nc(c2)Br)c4ncccn4	11188
+C1CC(CCC1Nc2ncccn2)CCO	44
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(ccc4c(S(C)=O)c3)C(O)=O	1
+c1nc(ncc1-c2ccc(OCCCCCCCC)nc2)-c3ccc(c(c3F)F)O	16
+c1cc(ccc1-c2cnc(nc2)N)C3(CCC(CC3)=O)c4cc(OC5CCCC5)c(OC)cc4	1678
+C1CC(CCN1C(OC(C)C)=O)OCc2nc(-c3cnc(nc3)O)no2	11189
+n1cc(cnc1NCCN2CCOCC2)C#Cc3cc(cnc3)N	1472
+c1cc(ccc1Oc2ncc(cn2)Br)O	5
+c1nc(ncc1C(=O)NCc2cc(C)cc(c2)C(O)=O)N3CC(Oc4ccccc4OCC)CCC3	1
+c1nc(ncc1C(=O)O)N2Cc3[nH]c4ccccc4c3CC2	1
+c1cc(ccc1Nc2ncc(cn2)CO)Cl	897
+n1cc(cnc1Nc2ccccc2)CO	897
+n1cc(cnc1C)C(CC=O)CC(OCC)=O	24
+c1nc(ncc1C(=O)O)N2CCCC(Oc3ccccc3OCC)C2	6
+c1nc(ncc1COC)N2CCC(CC2)C3C(CCOc4cc(F)c(c(F)c4)CC(=O)O)C3	4
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCNc4ccc(cn4)-n5nnnc5)C3	182
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCNc4ccc(-n5ccnn5)cn4)C3	182
+c1nc(ncc1Cl)N2CCC(CC2)C3C(C3)CCN	18
+n1cc(cnc1C(Nc2nc(c(Cl)cn2)Nc3cc(n[nH]3)OC)C)F	96
+C1CC(CCN1)CNc2ncc(cn2)F	62
+n1cc(cnc1NC(=O)CCCCC)O	3167
+n1cc(cnc1-c2ccc(cc2)CCCCCOCCC)O	11190
+c1nc(ncc1O)NC	11191
+c1nc(ncc1N)Oc2ccc(c3c2C4(CC4)CO3)C	193
+c1nc(nn1-c2ccc(cc2F)C#N)C(=O)O	1
+c1nc2Nc3cc(CO)ccc3Sc2nc1	98
+c1n(c2C(N(C(=O)N(c2n1)C)C)=O)C(C(O)=O)C	4
+Nc1c(cc(C#N)cc1)S	11192
+c1nc2c(nc(N3CC(C(=O)O)CCC3)nc2s1)Nc4ccc(OC)c(c4)OC	4
+n1c(C)cc(nc1SCc2c(c(SCCCSc3nn4c([N+](=O)[O-])cnc4cc3)ccn2)C)C	4992
+Nc1cncc(c1N)-c2cncc(c2)F	13
+c1ncc(nc1C)C(NC23CC(CCC2)(C(=O)O)CC3)=O	3
+c1(CO)c(C)onc1-c2ccncn2	1043
+c1ncn(c1)CCCCCCCN	51
+c1ncncc1-c2ccnc(Nc3c(C)ccc(c3)N)n2	0
+n1cc(cnc1)CCC(OC)=O	11193
+n1ncn(c1)-c2c(CN)cccc2	107
+c1cc(C)c(Nc2nc(cs2)CO)cc1	1171
+n1(-c2cc(c(N)cc2)C(=O)N)ccnc1	11194
+c1(c(N)ccc(-n2ccnc2)c1)C	0
+n1(-c2cccc(N)c2)ccnc1	0
+c1cnn(c1C(=O)c2cc(c(OC)c(Cl)c2Cl)OC)C	2229
+n1c(ccnc1Cl)Nc2ccc3n(C)c(nc3c2)N	73
+n1(C)c(nc2c1ccc(N)c2)N	0
+c1cccc(C(=O)Nc2cn[nH]c2C(NCCCC(OCC)=O)=O)n1	747
+n1(C=C)cc(C=O)cn1	576
+n1(C=C)cc(C(=O)O)cn1	6
+n1(C=C)cc(CO)cn1	536
+n1(c(-c2ccc(-c3c(C)cnc(OC)c3C)cc2F)c(cn1)C(=O)O)C4COCC4	6
+c12c(c3n(ncc3c(O)n1)C4COCC4)ccc(-c5c(C)cnc(OC)c5C)c2	11195
+C(NC)c1n(c2c(ccs2)c1)C	729
+n1(ccnc1)-c2cc(N)c(N)c(C)c2	0
+n1(ccnc1)-c2cc([N+]([O-])=O)c(N)c(C)c2	106
+n1(nc(-c2ncccc2)cc1)-c3ccc(N)cc3F	0
+OP(O)(c1ccc2c(n(nc2C(N)=O)CC(=O)N3CC(CC3C(NCc4c(F)c(ccc4)Cl)=O)F)c1)=O	228
+n1(nc(cc1[N+]([O-])=O)C(=O)O)C2CCCCO2	1
+n1(ncc2c(O)c(cnc12)C(=O)O)CC	6
+n1(ncc2c1ccc(c2)NC(Nc3cccc(Oc4ccnc(C(O)=O)c4)c3)=O)C	1
+C(=O)(c1cnc(-n2nnnc2)cc1)O	1
+O=Cc1c2n(c(Br)n1)cccc2	5090
+n12c(C)nnc1c(NCc3c(C)cccc3CC)cc(C(=O)O)c2	1
+c1n2c(cc(CO)c1)ccn2	4557
+OCc1sc2n(c1)cnc2	59
+n12cc(N)cc(C)c1nnc2C	13
+n12nnnc1c(N)c(NCCCO)c(c2C)C	4997
+Nc1nnc2ccccc2n1	11196
+c1cccc2n[nH]c(CO)c12	11197
+n1c(-c2cc(C)c(F)cc2)c(ccc1)-c3cc(c4n[nH]cc4c3)C(=O)O	1
+O=Cc1nc(Br)c(cc1)O	178
+n1c(Br)ccc(c1)C2N(N=C(C2)C(=O)O)c3c(Cl)cccc3	4
+n1c(Br)sc2cc(ccc12)CO	217
+C(c1cc(Cl)c(nc1-c2cc(F)ccc2)CN)(=O)OC	421
+c1c(c(-c2scc(CO)n2)ccc1C)[N+]([O-])=O	1171
+c1cc(ccc1)-n2nc(C(OC)=O)c(C(=O)O)n2	1
+n1c(C)cc(C(=O)O)n1CCOC	6
+c1cc2sc(nc2cc1CO)C	98
+C1CC(CCC1=O)(c2c(Cl)cccn2)C	1678
+c1ncncc1-c2cc(nc3CCCCc23)OCc4nc(F)ccc4	91
+n1c(COC(CCCCC)=O)nc(cc1)O	104
+O(Cc1nc(ccc1)CNc2nc(nc(Cl)c2NC=O)N)C3COCC3	40
+Nc1c(ncnc1Cl)Nc2ccnc(Cl)c2	193
+n1c(Cl)c2c(nc1Nc3cc(ccc3N)F)N(C4CCOc5c(F)cccc45)C(=O)N2	0
+n1cnn(-c2cc(Cl)ncn2)c1N	5106
+n1n(-c2cc(Cl)ncn2)cnc1	5106
+c1nc(Cl)cnc1COC	2068
+c1c2c(nc(n1)Cl)cccc2	511
+n1c(F)cc2cc(C(=O)O)ccc2c1	1
+Nc1nc(nc(N)c1N)-n2nc(c3ccccc23)Sc4ccccc4F	193
+n1c(NC(CC)C)cc(cc1-c2ccccc2F)C(=O)O	1
+C1(=O)CCC(=O)N1c2sc(cn2)C#N	11198
+n1c(NC(CCC(=O)O)=O)sc(c1)C#N	4
+n1c(NC)nc(Oc2cc(N)c(cc2)O)cc1	0
+c1c(N)cc(cc1)NC(NCCCNc2nc(Cl)ncc2Br)=O	0
+c1(ncccc1)N2C(=O)C=CC=C2	11199
+COc1nc(nc(OC)c1)Oc2c(nc(N3CCCC3)cc2)C(O)=O	1
+n1c(OC)ccc(C(O)C(C)N)c1	157
+n1c(OC)ccc(CO)c1	295
+Oc1ncc(C=2C(=O)N(C(=NC=2c3cc(F)ccc3)N)C)cc1	104
+n1c(c(Cl)cc(Cl)c1F)OCC(=O)O	3
+c1(nc(SC)ncc1C(=O)O)Oc2c(cccc2)C	6
+n1c(SC)nc2c(c(c(CC)n2Cc3cc(Cl)ccc3)C(=O)C(N)=O)c1OCC(=O)O	4
+n1c(SC)nccc1-c2c(nc3n[nH]cc3c2)-c4occc4	11200
+n1c(c(CC)c(n1C)-c2csc(C(=O)O)c2)Cl	1
+n1c(C(=O)O)c(NC(=O)c2ccccn2)cn1C3CCCCO3	1
+n1c(c(c(s1)N)C(=O)N)-c2cc(ccc2)N	0
+c12cnc(cc1c3c([nH]2)ncc(c3)Br)OC	4863
+Nc1nc(c(cc1N)-c2c(cncc2)Cl)-c3c(cccc3)F	13
+n1c(c(ccc1)OC)-c2cc(-n3nnnc3)cc(C(=O)O)c2	1
+n1c(c(N)ccc1F)C(=O)N	13
+Cc1c2n(NC(=NC2=O)c3cc([N+]([O-])=O)ccc3)c(C)n1	3796
+Cc1c2n(NC(=NC2=O)c3cnc(cc3)Cl)c(C)n1	11201
+n1c(c2c(C3C(C2)C3)n1-c4nccc(Br)c4)C(=O)O	6
+n1c(c2c(C3C(C2)C3)n1-c4nccc(Cl)c4)C(=O)O	6
+C(CCCn1cnc2nc(nc(c12)O)NCc3ccc(c(Cl)c3)Cl)O	59
+n1c(C#N)cc(C)n1CCCC	331
+n1c(ccc2c1ccc(N)c2)NC3CCc4ccccc34	0
+n1c(cn(CC(CCc2nnc(s2)NC(Cc3ncccc3)=O)F)n1)C(=O)O	6
+n1c(cn(CCCCCCCC(=O)O)c1)-c2ccccc2O	4
+n1c(NC)c(N)c(Cl)nc1Cl	193
+n1c(nc(cc1)Oc2ccc(N)cc2F)NCCCO	0
+C(=O)(c1ccc2nc(nn2c1)Br)O	1
+n1c(oc(C)c1COc2cc(c(CC(OCC)C(=O)O)cc2)CC)-c3c(cccc3)F	4
+n1c2c(c(Cl)cc1-c3ccccc3O)cccc2	5
+c1(C=O)cc2c(O)nc(nc2cc1)CCCC	39
+[N+]([O-])(=O)c1cc2NC(C(Nc2c3c1nnn3C)=O)=O	11202
+C1Cc2ccc(C)cc2NC1	1352
+n1c2c(ccc(N)c2)n(CC)c1Cn3ccnc3-c4cc(ccc4F)F	106
+Nc1cc2ncccc2cc1	0
+C(c1ccc2ncccc2c1)N	107
+n1c2c(ccc1)cc(C#N)cc2	274
+n1c2c(cccc2)c([nH]1)C=Cc3ccccc3N	0
+n1c2c(cccc2)c([nH]1)C=Cc3c(cccc3)Nc4scc(n4)C(=O)O	6
+C1CN(CCC1c2ncccn2)CCCCn3cnc4c3cccc4	53
+n1c2c(n(CCCC=O)c1)c3c(cccc3)nc2	24
+n1c2cc(cc(N)c2cn1C3CCCCO3)-c4c5cc[nH]c5ccc4	0
+c12nc(OC)c(nc1cc(F)cc2CN)OC	18
+n1c2cc(ccc2ccc1)CO	98
+c1cc2n(c(nc2cc1CO)C)CC	98
+n1c2ccc(C#N)cn2c(-c3nccc(O)n3)c1	104
+n1c2ccc(cn2c(-c3nccc(O)n3)c1)F	104
+Nc1ccc(Cl)c(-c2nc3cccnc3cc2)c1	0
+c1cccc2n[nH]c(CO)c12	398
+C(c1cc(c(-c2[nH]nc3cccnc23)cc1)F)(=O)O	1
+n1c2n(c(c1-c3cc(N)c(C)cc3)Br)nc(OC)cc2	0
+n1c2n(cc(Br)c1)cc(-c3c(Cl)ccc(N)c3)n2	0
+C(c1cc(OC)c(C)cc1)Nc2cc(-c3cc(ccc3)O)cnc2	162
+n1cc(-c2cccc(N)c2)nc3ccccc13	0
+Nc1cc(C)c(cc1)-c2cnco2	0
+n1cc(-c2c(cccc2)O)c[nH]1	5
+n1cc(cc(C#N)c1)O	390
+CC(C)c1ccc(F)nc1	1747
+c12cnc(cc1c3c([nH]2)ncc(c3)F)OC	11203
+O=Cc1ccc2ncc(Cl)n2c1	200
+CC(C)c1cncc(N)c1	1747
+O(c1c(c(nnc1)Cl)O)C	390
+O(c1cccnc1)c2cc(OCCOC)c(nc2)N	161
+Nc1cncc(Cl)c1O	13
+n1cc(-c2c(C)[nH]c(-c3ccc(OC)c(OC)c3)n2)ccc1	11204
+n1cc(ccc1-c2ccc3cc(ccc3c2)O)C(=O)OC	5
+n1cc(cnc1)-c2nccc(Nc3c(ccc(N)c3)C)n2	0
+n1cc(cnc1)-n2ncc(C(O)=O)c2CC	6
+n1cc(cnc1-c2cccc(CO)c2)OCCCN(C)C	98
+c1nc(ncc1OCC)-c2ccc(cc2)CCCCCO	374
+n1cc(cnc1-n2c3c(cc(cc3cc2)N)C4CC4)C	0
+n1cc(cnc1C)C(CCCC(CCc2ccc3CCCNc3n2)=O)CC(OCC)=O	1678
+n1cc(cnc1COC)-c2ccc(cc2)S(=O)(=O)Nc3cc(F)c(cc3F)C(O)=O	1
+n1cc(cnc1OCCOc2nc(nc(NS(=O)(=O)CC)c2Oc3ccccc3OC)-c4ncccn4)Br	482
+n1cc(cnc1N2CC(CCC2)Cn3nnc4ncc(nc34)-c5cn(C)nc5)Br	117
+c1nc(ncc1CCC)N2CCC(CC2)Oc3ccnc(O)c3	624
+n1cc(cnc1N2CCC(CC2)Oc3cc(ccc3Cl)Br)-c4nnn(CC(O)=O)n4	3
+n1cc(cnc1N2CCC(CC2)Oc3cc(ccc3Cl)Cl)-c4nnn(CC(O)=O)n4	3
+C1CN(CCC1c2cnc(nc2)N3CCOC(Cn4c5nc(-c6cn(C)nc6)cnc5nn4)C3)C	11205
+n1cc(cnc1Nc2cnccc2)N	193
+c1nc(ncc1N)Oc2c3C4(CC4)CCOc3ccc2	193
+n1cc(cnc1Oc2cccc3OCCC(C)c23)N	193
+n1ccc(-c2cnccc2)nc1Nc3cc(N)c(C)cc3	0
+n1ccc(C(=O)C)c2cc(C#N)ccc12	155
+c1c(C)cc(NC(=O)c2ccc(c(N)c2)N)nc1	0
+n1ccc(NC(C)c2ncc(cc2)F)nc1Nc3cccnc3O	104
+o1c(nc2cnccc12)-c3c(N)nccn3	11206
+n1ccc(Oc2cnc(cc2)N)cc1NC(C)=O	161
+c12c(cccc1C(C)O)ccnc2	74
+n1ccc2n1c(c(CCO)c(n2)Cl)Cl	237
+Nc1c(Cl)nn(-c2cccnc2)c1	209
+n1c(c(ccc1)CO)-c2ccc(cc2F)F	295
+O(c1c(cccn1)CO)C	295
+n1cccc(F)c1-c2nc(C(=O)O)c(nc2)N	1
+C(=O)(C(C)Cc1cc2cc(ccc2[nH]1)OCCCNc3ncccc3)O	4
+c1c2nnc(n2ccc1)-c3nc4c(cc3)cc(cc4Br)F	2149
+n1cccnc1-c2ccc(cc2)C#CC=O	2628
+n1cccnc1-n2cc(C(=O)O)c(N)n2	6
+n1cccnc1N2CCN(CC2)C3Cc4c(cccc4O)CC3	5
+C1CN(CCN1c2ncccn2)c3ncc4c(n3)SCC(=O)N4	2044
+C1NC(NCC1)=NCCCOc2ccc3c(c2)Cc4c(C(C3)CC(OCC)=O)cccc4	11207
+c1nc(ncc1)NCCN2CCC(N)C(O)C2	273
+c1nc(ncc1)Nc2scc(-c3c[nH]nc3-c4cc(F)ccc4OC)n2	1613
+n1ccn(-c2ccc(cc2N)C3=C(C(NC3)=O)C)c1C	0
+n1ncn2CCNCc12	4057
+Cc1c2c(ccc1)cncn2	511
+n1c(Br)cc(C(=O)O)n1-c2c(Cl)cccc2	1
+n1n(C)c(C)cc1C#N	331
+n1n(c(N)cc1C(=O)OC)C	161
+n1c(N)cc(n1C)COC	161
+n1n(C)cc(N)c1C(=O)N	209
+n1c(N)ccn1CCC	161
+c1(C=O)cc2c(cc1)n(nn2)CCCC	39
+n1cc(N)cn1CCNc2ccc(cn2)F	209
+n1n(Cc2ncccc2)c3ccc(N)cc3c1	0
+n1c(N)cnn1Cc2occ(n2)COC	1901
+c1(c2c(c(nn2C)CCC)nc(n1)-c3ccccc3OCC=C)O	5107
+c1(c2c(c(nn2C)CCC)nc(n1)-c3ccccc3OCCC)O	5107
+n1n(c2c(c1I)cc(N)cn2)C	13
+n1n(CCNc2ccc(cn2)F)cc([N+]([O-])=O)c1	15
+n1cc(N)cn1CC(NC(C)CO)=O	209
+c1n(-c2ccc(c(C)c2)C)nc(N)c1	161
+n1n2CCCC(c2c(N)c1C(=O)N)=O	209
+n1n2CCOCc2cc1CO	194
+n1n2CCOCc2cc1C=O	178
+n1c(N)cc2n1CCOC2	161
+n1n2c(c(Br)ccc2)nc1N	982
+n1n2c(c(O)ccc2)nc1N	982
+n1n2c(cc(Cl)cc2)nc1N	982
+n1n2c(sc1C)nc(CC(=O)O)c2	3
+n1nc(C2CCCO2)nc(c1C(CC)N)O	524
+c1(ccccc1Oc2cnnc(O)c2)C(C)=O	3149
+n1nncn1-c2cc(cc(-c3ccccc3OC)c2)C(=O)O	1
+n1nncn1-c2ccc3c(CCCC3C(=O)O)c2	4
+c1(cc(ccc1)-c2c(c(sn2)C(O)=O)C(O)=O)C	1
+c1c2nsnc2ccc1O	5
+o1c(-c2cc(CO)ccc2)ccc1Br	59
+o1c(Br)cc(c1C)C=O	5108
+o1c(Br)cc(CO)c1C	4414
+o1c2cccc(c2c(c1CC)C)O	2361
+o1c(C(=O)O)cc(-c2ccnn2C)c1C	1
+o1c(cc(c1C)C=O)C(=O)OC	5108
+o1c(cc2c1cc(cc2O)C(=O)OCC)CC	173
+o1c(nc(c1CC)C(O)=O)N2CC(C(CC2)NC(c3[nH]c(c(CC)n3)Cl)=O)OCCC	5095
+o1c(c(c2c1ccc(Br)c2OC)C)CO	2184
+o1c2cc(c(F)cc2c3cc(C#N)ccc13)O	5
+C(CO)c1c2ccc(cc2oc1)O	95
+o1c2cccc(CCCOC)c2c(C)c1C(=O)OCC	213
+o1c2cccc(CCCOC)c2c(c1C(=O)O)C	6
+c1c(CCCOC)c2c(c(oc2cc1)CO)C	2184
+o1c2cccc(OC)c2c(c1C(=O)O)C	6
+o1c2c(c(c1CC)C)c(O)c(cc2)CC=C	423
+O=Cc1oc2cccc(c2c1)Br	2180
+c1(CO)occ(C(=O)OC)n1	59
+C(CCC=CCCC(=O)c1occc1)(OC)=O	2444
+o1nc(c(C(=O)O)c1N)-c2cc(F)ccc2	1
+C(CCc1nc(on1)C=Cc2ccc(OC)c(c2)O)CCCCC	5
+o1nc(cc1-c2cc(CCC(O)C)ccc2)C(=O)OC	100
+c1cc([N+]([O-])=O)cc2Oc3sc(cc3C(=O)Nc12)C	11208
+s1c(nc2-c3c(ccc(N)c3)CCc12)Cc4nc[nH]c4	0
+s1c2c(nccc2Oc3ccc(N)cc3F)cc1-c4cc(ccc4)OCCCCl	0
+s1c2c(nccc2Oc3ccc(N)cc3F)cc1-c4ccc(CCN5CCCC5=O)cn4	0
+s1c2c(nccc2Oc3ccc(N)cc3F)cc1-c4ccc(CN5CCOCC5=O)cn4	0
+s1c2c(nccc2Oc3ccc(N)cc3F)cc1-c4cn(cn4)CCC	0
+C(O)CCc1ncsc1	237
diff --git a/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step_policy_data.tsv b/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step_policy_data.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..af10e40649be53029fe3b9c9a10b0ddee6fbc5dd
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/single_step/single_step_policy_data.tsv
@@ -0,0 +1,57382 @@
+product_smiles	rule_id
+O=S(=O)(Nc1ccc2COB(c2c1)O)c3ccc(cc3CC(=O)OCC)OC	69
+C1CC1c2cc(C#N)c(nc2Oc3cc4c(cc3)B(O)OC4)OCCCC(=O)C	136
+C(=O)(OC)C(C)c1c(F)cc(Br)c(c1)F	369
+C(C(=O)CBr)c1c(F)cccc1Cl	3173
+C(CCC(=O)CBr)(OC)=O	3173
+C(CCC)CNC(NCCCCCBr)=O	1064
+C(CCN1C(=O)N(c2ncn(c2C1=O)C)C)CCCCCCCC(OC(=O)C)CBr	5109
+c1ccc(cc1CCO)CCBr	1064
+c1(ccc2ncccc2c1CBr)[N+]([O-])=O	540
+C(c1cc(OC)ccc1Br)Br	540
+C(c1ccc(OCC)cc1C)Br	540
+C(OCC)(=O)C1(C(OCC)=O)CCC(=O)N1c2cnc(cc2)Oc3ccc(cc3)CBr	540
+C(CCCCN1C(=O)N(C)C=C(C1=O)C)(OC(C)=O)CBr	2307
+CCOC(C(CCBr)F)=O	3174
+c1cc(ccc1C(C(CC2CCCCC2)Br)=O)OC	1784
+C1CCC(C1)c2c(ccc(c2)Br)O	428
+C1CCCCC1c2c(ccc(c2)Br)O	428
+C1CN(CCC1)CCCCCCCCCC(CBr)OC(=O)C	2307
+C1COCCC1N(C)c2ccc(Br)cn2	1455
+O=S1(=O)CCC(CC1)CCBr	2308
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc3c(cc2Br)OCC4=NNC(=O)C(C)N34	428
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)C(=O)C(Br)c3ccccc3	2309
+CC(C)(C)OC(N1CC(C1)Oc2cc3N4C(C)C(=O)NN=C4COc3cc2Br)=O	428
+CC(C)(C)OC(=O)N1CCc2ccc(c(c2CC1)CBr)Cl	5110
+CC(C)(C)OC(Nc1ccc(Br)c(C)c1C(O)=O)=O	428
+CC(C)(C)c1cc(Br)ccc1N	428
+CC(C)(C)c1cc(C(=O)CBr)cc2NC(=O)COc12	380
+CC(C)(C)c1cc(OCCOC)cc(C(CBr)=O)c1	380
+CC(C)(C)c1cc2ccc3c4c(ccc(c24)c1)c(Br)cc3	428
+CC(C)(C)c1cc(Br)ccc1O	428
+CC(C)C(C(N1C(C(=O)OCC(=O)c2cc3c(-c4cc5c(cc4OC3)C(C(Br)CC5)=O)cc2)CCC1C)=O)NC(=O)OC	1784
+CC(C)CC(C(O)=O)Br	3175
+CC(C)Cc1c(Br)cccc1	369
+c1cc(ccc1)C(=O)C(Br)C=2C=CC(=O)N(C(C)C)N=2	5111
+CC(C)N1c2c(cc(c(c2)C)Br)CCC1	428
+CC(C)N1C(c2cc(ccc2C(=N1)Br)CBr)=O	540
+CC(C)Oc1cc(c(cc1)CBr)C	540
+CC(C)c1c(OC)ccc(Br)c1C	428
+CC(C)c1cc(Br)ccc1O	428
+c1cc(ccc1)CC(C(=O)OCC)CCBr	3174
+c1cc(cc(OC(C)=O)c1OC)C(CBr)=O	5112
+c1(C)cc(cc(C)c1C(=O)CBr)Oc2ccc3OCOc3c2	380
+Clc1cc(C#N)cc(Oc2c(c(OC)ncc2CO)Br)c1	1455
+c1(cc(cc(Cl)c1C)Br)Cl	369
+Clc1ccc2c(nccc2NCCOCCBr)c1	1064
+Clc1cnc(C(CBr)=O)c(Cl)c1	380
+FC(F)(F)C(=O)N1CC(C1)Cc2cc(ccc2OC)Br	428
+FC(F)(F)C(Nc1ccc(cc1)C#CCCCBr)=O	5113
+FC(F)(F)CCNC(c1ccc(cc1)C(=O)CBr)=O	380
+FC(F)(F)COc1cc(c(C(CBr)=O)nc1)Cl	380
+FC(F)(F)c1cc(ccc1O)Br	428
+FC(F)(F)c1c2C(=O)C(CCc2[nH]n1)Br	1784
+FC(F)(F)c1c(ccc(c1)N(S(=O)(=O)C)c2cc3oc(c(C(NC)=O)c3cc2C4CC4)-c5ccc(cc5)F)Br	369
+FC(F)(F)c1ccc(cc1)Oc2cc(C)c(c(c2)C)C(CBr)=O	380
+FC(F)(F)c1cccc(c1F)C(CBr)=O	380
+FC(F)(F)c1cc(NCCBr)c2c(n1)cccc2	1064
+FC(F)Oc1n(nc(c1Cl)-n2c(c(cn2)C#N)Br)C	5114
+c1(ccc(Br)c(C)c1F)C#N	369
+c1(ccc(Br)c(C)c1F)C(=O)O	369
+c1(c2cc(C)n(C(=O)OC)c2ccc1Cl)Br	5115
+c1c(cc(C)c(c1)[N+]([O-])=O)Br	369
+n1c(c(C)cc(Br)c1)CCCCN	1455
+c1c(cc(c(c1)CC)[N+]([O-])=O)Br	369
+c1(cc2cccnc2c(c1)Br)OC	5116
+c1c(Br)cc2CC(CCCc2c1)=O	369
+Nc1c(c(c(cc1)Br)F)C	428
+c1(c(cccc1Br)C(=O)O)Cl	369
+c1(ncc(cc1[N+]([O-])=O)Br)Br	2310
+Brc1ncc(C)cc1[N+](=O)[O-]	2310
+c1c(Br)cc2c(c1)N(CCC2)CCCCC(OCC)=O	428
+CCc1cc(c(OCC)cc1O)Br	428
+O(c1cc(Cl)c(C(=O)CBr)nc1)C	380
+C(CCCN1C(=O)N(c2ncn(C)c2C1=O)C)(OC(C)=O)CBr	2307
+O=C(c1c(O)c(O)c(Br)cc1)O	369
+c1ccc2C(=O)N(C(=O)c2c1)C(CF)(C(OC)=O)CC(=O)CBr	3176
+O=S(=O)(CC)c1ccccc1C(CBr)=O	380
+O=S(=O)(N)c1c(c(SC)cc(CBr)c1)Cc2ccccc2	540
+C1CCCCC1NS(=O)(=O)c2cccc(c2)C(CBr)=O	380
+C(Br)C(OC)CSCCCCCCCCCCCCCCCC	2308
+c1(csc(Br)n1)-c2cccc(c2F)F	2311
+c1(C)cc(Br)cnc1CCCN	1455
+c1c(CC)c(c([N+]([O-])=O)cc1)Br	369
+Cc1cc(cc(C)c1C(CBr)=O)Cl	380
+c1c(C)c(c(cc1OC)C)C(CBr)=O	380
+c1c(cc2c(c1)nc(N)nc2)Br	369
+c12c(cc(cc1cccc2)Br)C(OC)=O	369
+c1c(cc([N+]([O-])=O)cc1Br)C(=O)O	369
+Cc1cc(cc(C)c1)C(c2cc(C)cc(C)c2)Br	2312
+c1c(cc(-c2ccc(cn2)C)c(Cl)c1)Br	369
+c1(c(C)c(F)c(cc1F)C(=O)O)Br	369
+c1c(Cl)c(ccc1)C(c2ccccc2Cl)Br	2312
+c1(csc(Br)n1)-c2ccc(cc2F)Br	2311
+Cc1c(cccc1)C(c2c(C)cccc2)Br	2312
+c1cc(ccc1)C(C(=O)c2ccc3c(NC(=O)CO3)c2)Br	2309
+c1cc(ccc1)COC(CCC(C(O)=O)Br)=O	3175
+c1ccccc1Cc2ccccc2CBr	540
+c1ccccc1Cc2cc(ccc2O)Br	428
+c1cc(ccc1)Oc2cc(C)c(c(c2)C)C(CBr)=O	380
+c1cc(ccc1)Sc2ccc(nc2)Br	2310
+c1c(OC)c(Br)cc(-c2ccc(cc2C)C(=O)OC)c1	428
+c1cc(ccc1N(C)C)-c2nc(OC)ccc2Br	1455
+c1cc(ccc1Cl)-c2ccc(Br)c(I)c2	369
+c1cc(ccc1-c2oc3c(cc(c(N(S(=O)(=O)C)c4cc(Cl)c(Br)cc4)c3)C5CC5)c2C(NC)=O)F	369
+c1cc(ccc1-c2oc3cc(N(S(=O)(=O)C)c4cc(F)c(c(F)c4)Br)c(C5CC5)cc3c2C(NC)=O)F	369
+c1cc(ccc1OC)C(=O)C(Br)C	1784
+c1cc(ccc1-c2nc(sc2)Br)Br	2311
+c1cc(ccc1C(C(c2ccc(cc2)C)=O)Br)SC	2309
+c1cc(ccc1I)CC(=O)CBr	3176
+c1cc(ccc1CCCBr)[N+]([O-])=O	1064
+c1cc(ccc1Br)CCc2ccccc2CBr	540
+c1cc(ccc1CNc2cc(cc(c2)CBr)F)OC	540
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(N(S(=O)(=O)C)c4cc(Cl)c(Br)cc4)cc3o2)C5CC5	369
+c1cc(ccc1OCCCCCCCCCCCCCC)C(Nc2cccc(c2)CBr)=O	540
+c1cc(ccc1C#N)OCCN(S(=O)(=O)C)CCBr	2308
+c1c(C)c(c(cc1Oc2ccc(cc2)F)C)C(CBr)=O	380
+c1cc(ccc1[N+]([O-])=O)-c2cc(c(C(=O)CBr)cc2)C	380
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CBr	540
+c1ccccc1C2CC(CCBr)c3ccccc23	1064
+c1ccccc1CCCCCBr	1064
+c1ccccc1COc2cc(ccc2[N+]([O-])=O)CBr	540
+c1ccccc1COc2ccc(c3SC(=O)Nc23)C(CBr)=O	380
+n1c2cc(ccc2ccc1)CBr	540
+O=S(=O)(c1sc2c(cc(cc2)CBr)c1)N	5117
+BrC1(Br)C(=O)Nc2c1cc(Br)cn2	301
+BrCC(=O)C(c1c(cccc1)C)=O	5118
+C(C(=O)c1c(-c2ccc3c(ccc(c3Br)O)c2)oc4ccccc14)CCC	63
+C(C(O)C)Cc1nc(N)c2c(n(c(Br)n2)C)n1	1065
+c1cccc(C)c1C(=O)C(C(OCC)=O)Br	5119
+C(C(OC)=O)C(=O)C(CC)Br	1785
+c1(C(=O)OCC)c(Cl)c(ccc1OC)Br	63
+CCOC(=O)c1c2CCC(C(c2c(SC)s1)=O)Br	504
+c1c2c(cc(Br)c1NC(C)=O)C(CCC(=O)O)CC2	63
+C(CC(CCCC)CBr)CC	1224
+c12c(ccc(c1cccc2)C(C(Br)CCCC(=O)OCC)=O)F	504
+Nc1ncc(Br)nc1C(=O)OC	1786
+C(Oc1ccc(C(CBr)=O)c(C)c1)CCCl	288
+Cc1nc(sc1Br)-c2ccc(C(=O)O)cc2C	1066
+c1c(Br)c(cc(OC)c1F)CC(=O)O	63
+C(c1cc(c(cc1)O)C(CBr)=O)(=O)O	288
+C(c1cc2ccc(cc2cc1)OC)Br	1787
+C(c1cccc(c1)Cn2c3nc(nc(N)c3nc2Br)NCCCC)P(OCC)(=O)C	1065
+C(CC(=O)CBr)(NC1C(=O)N2C(C(=O)O)=C(CSC12)COC(=O)N)=O	3177
+O=C1NC(NC(=O)C1(Br)CCCCCCCCCC)=O	5120
+c12C(=O)C(Nc1c(C)cc(c2)Br)=O	63
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3C(NC(=O)CC(=O)CBr)C(=O)N23)=O	3177
+N1(C=C(c2cc(OC)c(cc2C1=O)OC)Br)CC	2313
+C1CC(CCC1)(C(c2c(c(C)cc(c2)C)OC)=O)Br	1788
+C1CCCCC1CC(C(=O)c2c(cc(cc2)OC)OC)Br	504
+C1CCCCC1CCC(Br)C(=O)c2cc(OC)c(cc2OC)Cl	504
+C1CCCCC1CCC(Br)C(=O)c2cc(c(cc2OC)C)OC	504
+C1CC(CCC1C(OC)=O)c2ccc(cc2)Br	63
+C1CC(CCC1O)c2ccc(cc2)Br	63
+C1CN(CCC1C(CBr)=O)C(C)=O	400
+COc1c2c(C(C(C2)Br)=O)ccc1C	504
+C1CC12C(Nc3c(F)cc(cc23)Br)=O	63
+C1CC1CN2C=C(c3c(cnc(SC)n3)C2=O)Br	5121
+C1CC1c2c(cc(c(O)c2)C(OC)=O)Br	63
+C1CC1c2cnc(N)c(Br)c2	301
+C1CC1n2ncc(c2)Br	635
+C1CCC(C1)c2cc(-c3c4ccccc4c(Br)c5c3c(C)c(C)s5)ccc2OC(C)=O	5122
+C1CCC1(c2ccc3ccccc3c2)C(CBr)=O	400
+C1C(CC1)N2CCC(=O)C(CC2)Br	1785
+C1CCCC1(c2cc(c(Cl)cc2)Cl)C(=O)CBr	400
+C1CCCCC12C(Nc3ccc(Br)cc23)=O	63
+C1CCCCC1C(=O)CBr	400
+C1CC(CCC1)C(CCBr)C(=O)NCc2c(cc(cc2Cl)OC)Cl	1224
+c12cc3c(CC(C)C3=O)c(Br)c1CCC2	63
+C1CN(CCC1)c2c(Br)cnc(c2)C	301
+C1CN(CCC1C(=O)OC)c2c3ccncc3c(c(-c4cc(Cl)ncc4)n2)Br	5123
+C1CN(CCN1c2ccc(Br)c([N+]([O-])=O)c2)C	63
+O=S(=O)(c1c(C(N)=O)[nH]c2c1ccc(Br)c2N)N3CCOCC3	1067
+C1COCCN1c2ccc3c(Br)c(ccc3n2)N	1067
+c1(F)c(Br)cc2C3(N=C(N)SCC3COc2c1)C	63
+CCC(N(C1Cc2ccc(Br)cc2C1)CCC)=O	63
+CC(=O)Nc1cc(F)c(cc1)C(CBr)=O	288
+CC(C)(C(CBr)=O)CCl	400
+CC(C)(C(CBr)=O)CO	400
+CC(C)(C)C(=O)Oc1cccc(CBr)c1	1787
+CC(C)(C)C(Nc1c(cc(cc1)Br)-c2ncccn2)=O	63
+CC(C)(C)Nc1ccc(cc1Br)[N+](=O)[O-]	63
+CC(C)(C)OC(N1CCC(CC1)n2c(nc3c2ncnc3N)Sc4c(cc5OCOc5c4)Br)=O	63
+CC(C)(C)OC(=O)N1CCCN(c2ccc3c(n2)OC(=O)C(=C3)C(CBr)=O)CC1	3178
+CC(C)(C)OC(C1=C(c2ccc(c(C)c2)C)c3c(cc(Br)cc3)C(=O)N1C)C(=O)OC	63
+CC(C)(C)OC(=O)N1C(C)CCC(C1)C(=O)CBr	400
+CC(C)(C)OC(N1CCN(CC1)c2ccc(Br)c(-c3cc(ncc3)Cl)n2)=O	301
+CC(C)(C)c1cc2C(C(CC(C)C)Cc2c(Br)c1OC)=O	63
+CC(C)(C)c1c(c(Br)c2CC(C(=O)c2c1)C)OCC(C)C	63
+CC(C)(C)c1cc(Br)c(O)cc1	63
+CC(C)(C)c1ccc(Br)c(c1)C(C)(C)C	63
+CC(C)(C)c1nn(-c2c(cccc2)C)c(N)c1Br	635
+c1cc(ccc1OC(Br)C(C(C)(C)CCl)=O)-c2ccc(cc2)Cl	2314
+CC(C)(C(CBr)=O)CF	400
+CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br	2314
+CN(C)C1CCc2c(c(Br)ccc2NC(C(C)(C)O)=O)C1	63
+c1cc(ccc1C(C)(C)C=C(CBr)F)Cl	5124
+C1CCCCN1c2ccc(cc2)C(=O)C(C)(C)Br	1788
+CC(C)C1(C(=O)c2c(C1)c3c(c(C)c2C)oc(c3)C(O)=O)Br	1788
+CC(C)CC(C(CBr)=O)C(=O)OCC	400
+CC(C)c1c(cc(cc1)Br)C=O	63
+CC(C)c1c(c(Br)cc(C(C)C)c1)O	63
+CC(C)c1cc(cc2C(C(=O)Nc12)=O)Br	63
+CC(C)c1nc(N)sc1Br	1066
+c1(c(c(ccc1NC(C)=O)Br)F)C	63
+c1c(cccc1C(=O)CBr)C#N	288
+CC(c1nnc2n1nc(cc2)C(=O)OC)c3ccc4c(cc(Br)cn4)c3	301
+CC1(C)c2c(C(C)(C)CC1)cc(c(Br)c2)CCCO	63
+CC1(C)c2cc(c(Br)cc2C(CC1)=O)C	63
+CC1(C)c2cc(cc(Br)c2OC1)C=O	63
+CC1(C)Cc2c3c(cc(c2)Br)C(C(=CN13)C(=O)OCC)=O	63
+CC1(C)C(=O)N(c2ccc(c(Br)c2C(c3c(cccc3)F)=N1)N)C	63
+CC1(C)Cc2cc(Br)cc(c2O1)C(O)=O	63
+CC1(C)c2cc(ccc2NC1=O)Br	63
+CC1(C)CCC(C)(C)c2c1cc(Br)c(CCCCCC)c2	63
+C(C(C(Br)C)=O)C(OC)=O	1785
+CCC(CO)Nc1c(Br)cncn1	1225
+c1c(Br)c(cc(Cl)c1F)NC(CC)=O	63
+CCC(c1cc(c(O)c(c1)CN)Br)=O	63
+C(C(c1cccnc1F)=O)(C)Br	504
+C(C)OC(=O)c1c(N)ccc(Br)n1	1068
+CCOC(c1cc(Br)cnc1N)=O	301
+Brc1nc(c(cc1[N+]([O-])=O)Br)CC	2315
+c1(Br)sc(N)nc1CC	1066
+CN(C)C1CCc2c(ccc(c2C1)OC)Br	63
+CN1C=C(c2c(ccc(-c3cnn(C)c3)c2)C1=O)Br	2313
+CN1C=C(c2c(ccc(c2)-c3ncccc3)C1=O)Br	2313
+COC(OC)c1c(c(Br)ncc1F)N	1068
+C(Br)c1c(OC)c(Br)cc(c1)Br	2316
+c12C3=C(C(CCC3(C)Cc1cc(OC)cc2)=O)Br	3179
+COc1ccc(CCBr)c([N+]([O-])=O)c1	1224
+c1cc(Br)c(F)c(c1OC)[N+]([O-])=O	63
+COc1ccc(c(CCO)c1)Br	63
+c1c(OC)c2c(c(c1)Br)ccc(CC)n2	1067
+Cc1c(C(CBr)=O)n(c(C)n1)C	288
+C(c1c2n(ncn2)cnc1CBr)CC	5125
+Cc1nc(O)c(cc1C(CBr)=O)C#N	288
+c1c(C)c(Br)cc(c1O)C(=O)O	63
+c1c(c(cc(O)c1F)C)Br	63
+c12CCCC(c1c(c(Br)cc2C)C)=O	63
+Brc1n2c(nc1)cc(cc2)C	5126
+Cc1nc(N)nc2N(C(C(Br)=Cc12)=O)CC	5127
+ClC(Cl)(Cl)C(NC(=O)Nc1c(cc(s1)Br)C(OC)=O)=O	1069
+Nc1c(cc(Br)c(Cl)c1)C(=O)O	63
+c1(Cl)cc(O)c(Br)nc1	1068
+Clc1cc(c(O)c([N+]([O-])=O)c1)Br	63
+Clc1c(O)ncc(Br)c1	301
+Clc1cnc(Oc2cccc(CBr)c2)cc1	1787
+Nc1c(Br)cc(Cl)cn1	301
+c1(Br)c(Cl)cc(-c2nc(ccc2)C)s1	1069
+FC(F)(F)C(C(Br)CC1CCC(F)(F)CC1)=O	1785
+FC(F)(F)C1(c2cc(Cl)c(c(c2)Cl)Cl)CCN(C1)c3nc(C)c(Br)cc3	301
+FC(F)(F)CC(C=O)Br	504
+FC(F)(F)Oc1ccccc1-c2cc(C(=O)CBr)ccc2	288
+FC(F)(F)c1n[nH]cc1Br	635
+FC(F)(F)c1cc([N+]([O-])=O)cc(Br)c1N	63
+FC(F)(F)c1c(O)ncc(c1)Br	301
+FC(F)(F)c1c(c(cc(-n2c(C)nc(c2)C)c1)Br)N	63
+FC(F)(F)c1c(c(O)ncn1)Br	1225
+FC(F)(F)c1c(F)cc(-c2cc(c(N)c(c2)F)Br)cc1	63
+FC(F)(F)c1cc(ccc1)NC(=O)CC(=O)CBr	400
+FC(F)(F)c1c(ncc(c1)Br)N2CCNCC2	301
+FC(F)(F)c1c(Br)nc(C(OCC)=O)c(N)n1	1786
+FC(F)(F)c1cc(c2cc(-c3oc4c(cccc4)c3Br)ccc2n1)OC	3180
+FC(F)(F)c1c(c(C)n(-c2ccc(cc2)CCO)n1)Br	635
+FC(F)Oc1c(ncc(c1)Br)O	301
+FC(F)c1ncnc(c1Br)O	1225
+FC1(F)CCN(CC1)c2sc(c(C3C(CCCC3)C(OC)=O)n2)Br	1066
+C(F)C(CF)(C(=O)CBr)C	400
+Fc1cc(cc(F)c1-c2c(ccc(C(OC)=O)n2)F)CBr	1787
+c1c(F)c(c(cc1NC(=O)C)F)Oc2c3c(ncc2)[nH]cc3Br	5128
+Fc1cccc(F)c1COc2cc(cnc2N)Br	301
+c1c(cc(c(C)c1)C#N)Br	63
+N1(C(=O)C)c2cc(C)c(Br)c(c2C(CCC(OCC)=O)C1)C	63
+Nc1c(cc(Br)c2CCCN(C)c12)C(=O)OC	63
+c1c(c(OC)cc(c1Br)CCN)OC	63
+Nc1ccc(Br)c(F)c1OC	63
+COc1cc([N+]([O-])=O)cc(Br)c1N	63
+n1c(nc(N)c(c1Cl)Br)SC(c2ncc3c(c2)cccc3)C	1225
+C(C)c1cc(Br)c(N)c([N+]([O-])=O)c1	63
+Nc1c(cc(cc1[N+]([O-])=O)F)Br	63
+n1cc([N+]([O-])=O)c(N)c(Br)c1	301
+Nc1c(Br)csc1C(=O)OC	1789
+Nc1nc(-c2nc(SC)ncc2)c(s1)Br	1066
+Nc1sc2C(C(CCCc2n1)Br)=O	504
+Nc1sc2c(ccc(F)c2Br)n1	5129
+C(CCC(OCC)=O)C(C(=O)c1sc(cc1)Cl)Br	504
+O(C)c1c(F)ccnc1Br	2315
+O(CC)P(OCC)(Cc1ccc(cc1)Cn2c(Br)nc3c(N)nc(nc23)OCCOC)=O	1065
+O(c1c(OCC)cc(Br)cn1)C	301
+O=C(C(=NOC)C(CBr)=O)OC	400
+C1(=O)CCCC(=O)C1Br	5130
+O=Cc1cc(c(OC)cc1O)Br	63
+O=Cc1cc(c(OC)cc1F)Br	63
+c1c(cc(c(C)c1)C=O)Br	63
+c1c(OC)c2oc(C=O)cc2c(c1)Br	3181
+O=S(=O)(C)Nc1cc(C(=O)CBr)c(cc1)F	288
+O=S(=O)(c1cc(c(c(Br)c1)O)[N+]([O-])=O)CC	63
+O=S(=O)(c1sccc1)Nc2c3c(c(O)c(Br)c2)cccc3	63
+O=S(=O)(Nc1c(cc(cc1)C(CBr)=O)Sc2ccc(F)cc2F)C	288
+O=S(=O)(c1cc(ccc1F)C(=O)CBr)N	288
+O=S(=O)(c1cc2C(=O)N(C)C(C(C)Br)=Nc2cc1)C	1070
+O=S1(=O)Nc2c3c(cccn3)c(cc2-c4ccccc14)Br	1067
+OCC1OC(C(O)C1O)n2c3nc(I)nc(N)c3nc2Br	1065
+c1(Br)c(c(cc(C(=O)c2ccccc2Cl)c1)CC)O	63
+c1c(cc2c(c1)ncc(O)n2)Br	1067
+[N-]=[N+]=NC1CCc2c(c(NC(C)=O)ccc2Br)C1	63
+Nc1c([N+]([O-])=O)cc([N+]([O-])=O)cc1Br	63
+C(CBr)(c1c(c2n(cccc2)n1)-c3cc(F)ncc3)=O	288
+Brc1c(O)nc2c(ccnc2)c1	5131
+c1(F)c(Br)cc(C)c(NC(C)=O)c1	63
+c1(C)cc(I)cnc1Br	2315
+Cc1c(c(c(c(c1)C=O)C)Br)C	63
+FC1CCC(C(C(OC)=O)C1)c2nc(C)sc2Br	1066
+C(n1nc(c(Br)c1CCCCCl)C#N)C	635
+c1(c2c(ccc1Br)N(C(C2)=O)C)Cl	63
+C(CCCC(C(=O)c1cc(OC)c(cc1OC)Cl)Br)CCCC	504
+Brc1c(OC)c(C)c(cc1C(OC)=O)OC	63
+Brc1c(cc(OCC)c(c1F)OCC)Br	63
+c1c(Cl)c(ccc1Cl)Oc2cc(Br)c(Cl)cc2O	63
+c1([N+]([O-])=O)c(C)ccc(C(CBr)=O)c1	288
+COc1cc(cc([N+]([O-])=O)c1N)Br	63
+c1(c(C(=O)O)cnc(C)c1Br)O	301
+c1(c(c(C(CBr)=O)ccc1)F)F	288
+c1(c(Br)cc([N+]([O-])=O)c(F)c1Cl)F	63
+O1c2c(CCC1)c(C)c(Br)cc2F	63
+C(c1cc(c(NC(C)=O)c(Br)c1O)[N+]([O-])=O)(=O)OC	63
+c1([N+]([O-])=O)cc(C(CBr)=O)c(Cl)cc1	288
+O=Cc1c(c(ccc1)O)Br	63
+c1c(c(O)c(cc1C(=O)OC)F)Br	63
+c1(ccc2c(n1)c(Br)cs2)C(=O)OC	5132
+c1(C)c(sc(Br)c1)COC(=O)C	1069
+c1(nc(c(c(c1)OCc2ccc(cc2F)F)Br)O)C	301
+c12c(nc[nH]1)c(c(N)cc2)Br	5133
+c1ccc2c(C(=O)N(C2=O)CCc3n(nc(C#N)c3Br)CCC)c1	635
+O1c2c(CCC1)c(C)c(Br)cc2Cl	63
+c1cncc2cccc(c12)Br	63
+c1c2c3c(cccc3)c(nc2ccc1Br)O	63
+n1c2c(nn1-c3c(O)ccc(CBr)c3)cccc2	2316
+c1c2C(C(CCCc2ccc1F)Br)=O	504
+c1c2ccc(Br)c(O)c2nc(C)c1	1067
+c1cc(Br)c(c2oc3c(c12)cccc3)C	3181
+c12cnc(cc1c3c([nH]2)ncc(c3)Br)C(=O)OC	301
+c1(c(Br)c(O)c(cc1)C(=O)C)O	63
+c1ccc(cc1C(CBr)=O)F	288
+c1(cc(c(O)nn1)Br)C(=O)OC	5134
+C(C)OC(=O)c1c(c(c([nH]1)C)Br)C	3182
+c1(C)cccc(C)c1-c2nc(Br)c(N)nc2	1786
+Brc1sc(-c2cc(c(cc2)CCCCC)F)cc1	1069
+c1c(CSc2nc3nc(c(Br)nc3c(n2)NC(C)CO)O)c(c(F)cc1)F	5135
+c1c(Cl)c(c(cc1)Cl)C=2C(=O)N(c3nc(nc(N)c3C=2)Nc4ccc(cc4)Br)C	63
+c1c(c(N)c(c(F)c1C#N)Br)F	63
+c1c(F)c(ccc1OCCCCl)C(CBr)=O	288
+[nH]1cc(C(=O)OC)c2cc(I)c(cc12)Br	1067
+Clc1cc(c(Br)cc1C)NC(C)=O	63
+c1c(c(cc(OC)c1F)Br)O	63
+C(O)(c1c(OC)ccc(Br)c1OC)=O	63
+c1c(cc([N+]([O-])=O)cc1Br)C(=O)O	63
+c1c(c(Cl)cc(C(CBr)=O)c1)OC	288
+c1c(c(c(F)cc1)C)CC(=O)CBr	400
+c1c(c(c2CC3(CCCC)CCC(C(=C3c2c1)Br)=O)C)OC	3179
+c1c(cc(cc1)CCCBr)C#N	1224
+c1c(cc2C(C(CCOc2c1)Br)=O)Br	504
+c1c(cc2c(OC(C(CBr)=O)=CC2=O)c1)Br	3178
+c1c(OC)c(-c2ncccc2)ccc1C(CBr)=O	288
+n1c(Br)c(ccc1C)O	1068
+o1c(cc(Br)c1C)C(=O)OC	3180
+c1c2c(ccc1)CC(C2)Nc3c4c([nH]cn4)nc(-n5nc(c(Br)c5C)C)n3	635
+c1cc(C(CBr)=O)c(cc1F)O	288
+C1(Nc2c(OC1)cc(C)c(Br)c2)=O	63
+c1(ccc(Br)nc1C(=O)OC)O	1068
+c1([N+]([O-])=O)c(ccc(Br)n1)O	1068
+COc1ccc(C(CBr)=O)cc1OC	288
+c1cc(OCCc2sc(Br)cc2)cc(C)c1OCC(OCC)=O	1069
+c12c(CCN1)cc([N+]([O-])=O)cc2Br	63
+c1(OC)c(Br)cc(cc1CCCC(=O)O)C	63
+c1ccccc1CN2C(C(CC)Br)=NC3=C(CCC3)C2=O	1070
+c1ccccc1CN2C(c3cccnc3N=C2C(Br)CC)=O	1070
+c1ccccc1COc2cc(cnc2N)Br	301
+c1cc(ccc1)COc2nncc3c(c(C)n(Cc4ccc(cc4)OC)c23)Br	5136
+c1ccccc1Cn2nc(C#N)c(Br)c2C	635
+c1ccccc1NC=2N(C)C(C(Br)=CN=2)=O	5137
+c1cc(ccc1)NC(=O)CC(=O)CBr	400
+c1cc(ccc1)Oc2cc(cnc2N)Br	301
+c1ccccc1S(=O)(=O)CC(CBr)=O	400
+O=S(=O)(CCCc1c(Br)c(C#N)nn1CCCC)c2ccccc2	635
+c1cc(ccc1)S(=O)(=O)N(C)CC(c2cc(Cl)ccc2)CCCBr	1224
+O=S(=O)(c1ccccc1)n2cc(Br)c3ccc(F)cc23	3182
+c1cc(ccc1CN2C(SCC)=NC(=C(C2=O)Br)C)-c3c(C#N)cccc3	3183
+c1cc(ccc1CN2C(CCC)=NC(=C(Br)C2=O)CC)-c3c(C#N)cccc3	3183
+Cc1ncccc1-c2cc(Br)c(cc2)OC	63
+c1ccccc1COCc2nc(N)nc(c2-c3cc(Br)c(N)cc3)N	63
+c1cc(ccc1OC)-c2ccc3c(ccc(OC)c3Br)c2	63
+c1cc(ccc1-c2cc(Br)c(OC)cc2)C(=O)OCC	63
+c1cc(ccc1CCC(CBr)=O)Br	400
+c1cc(ccc1C#N)OCCCCCOc2ccc(cc2)-c3c(sc(n3)C)Br	1066
+c1cc(ccc1Oc2cc(cnc2N)Br)C#N	301
+c1cc(ccc1C(CBr)=O)S(=O)(=O)C	288
+c1cc(ccc1C(C(Br)c2c(cccc2F)Cl)=O)F	5138
+CC(C)(c1cc(Br)c(CC(C)CCl)cc1)CCCC	63
+CC(C)CC(c1cc(c(cc1)O)Br)C(OCC)=O	63
+c1cc(ccc1NC(=O)C)C(=O)C(CC)Br	504
+c1cc(ccc1C)C2C(C)(C)Oc3c(C)c(C)c(Br)c(c23)C	63
+c1cc(ccc1C(C)C)C2COc3c(c(c(c(C)c23)Br)C)C	63
+c1cc(ccc1C)CC(OCC)CBr	1224
+C(OCC)(Cc1ccc(c(Br)c1)O)=O	63
+c1cc(ccc1CCC(CBr)=O)[N+]([O-])=O	400
+c1cc(ccc1CC(C(=O)c2cccc(Cl)c2)Br)Cl	504
+c1cc(ccc1CCc2cc([nH]c2Br)C(=O)O)Cl	5139
+c1cc(ccc1Cc2c(cc(c(Br)c2)OC)C)C	63
+c1cc(ccc1F)Cc2ccc(Br)o2	5140
+c1cc(ccc1Cl)Oc2cc(c(cc2)C(CBr)=O)CCC	288
+c1cnccc1CNc2nc3c(nc(Br)n3Cc4ccc(cc4)CO)c(N)n2	1065
+c1cc(ccc1N2N(C)C(CBr)=C(C3CC3)C2=O)F	3184
+c1cc(ccc1N2C(=O)c3c(N=C2C(Br)C)cccc3)F	1070
+c1cc(ccc1F)N2C(C=CN=C2C(C)Br)=O	1070
+c1cc(ccc1C(CBr)=O)NC(=O)C	288
+c1cc(c(Br)cc1CCCC)NC(C)=O	63
+c1c(Br)c(ccc1C(=O)OC)O	63
+c1c(ccc(c1Br)O)C(=O)C	63
+C(OC(CCCc1ccc(c(Br)c1)O)=O)C	63
+c1cc(cc(Br)c1OC)OC(C)=O	63
+c1cc(ccc1OC)-c2c3c(-c4cc(Br)sc4C3)n[nH]2	1069
+c1cc(ccc1OC)-c2nc(C)oc2Br	5141
+c1c(OC)c(cc(-c2sc(c(C)c2C)C(=O)OC)c1)Br	63
+c1cc(ccc1OC)CN2C(=O)N(CCC)C(=C([N+](=O)[O-])C2=O)CBr	5142
+Nc1ccc(cc1Br)OC	63
+FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C	2314
+c1cc(ccc1C(CBr)=O)OCCC	288
+c1cc(ccc1Oc2ccc(cc2)[N+]([O-])=O)CBr	2316
+C1CCCCC1(Br)C(=O)c2ccc(cc2)SC	1788
+c1([N+]([O-])=O)cc(Br)c(cc1)O	63
+Nc1ccc([N+]([O-])=O)cc1Br	63
+c1cnccc1-c2c(ncc(N(C)C)n2)Br	1786
+c1cc(ccn1)-c2nn(cc2Br)C	635
+COc1c(Br)cc(Br)cn1	301
+c1ccc2c(c1)c(c3c(cccc3)c2-c4ccc(C)c5c4cccc5)Br	63
+c1ccccc1-c2c(ccc(Br)c2Cl)SC	63
+c1ccccc1-c2c3c(sc2Br)nc(nc3)Cl	1069
+c1cc(ccc1)-c2n3ccc(Br)cc3c(c2Cc4cccc(F)c4C)C(=O)OC	5143
+c1cc(ccc1)-c2c(Br)c(Cl)nc(n2)N	1225
+c1ccccc1C(=O)C=2C(N(C(=O)N(C=2CBr)C)C)=O	3184
+CC(C)(C(=O)C(=O)O)c1ccc(cc1)Br	63
+c1cc(ccc1)C2(CCC2)C(=O)CBr	400
+c1cc(ccc1)C2CN(C)CCc3c2sc(c3Br)CO	1789
+CC(C)C(C=1N(C(=O)c2nc3c(nc2N=1)cccc3)Cc4ccccc4)Br	1070
+c1ccccc1CN2C(C(CC)Br)=Nc3onc(C)c3C2=O	1070
+c1ccccc1COc2c(C)cc(c(C=O)c2)Br	63
+c1ccccc1COc2ccc(O)c(c2)Br	63
+c1ccccc1COc2c(c(cc(Br)c2)C)N	63
+c1cc(ccc1)Cn2c3nc(N(C)C)nc(N)c3nc2Br	1065
+c1cc(ccc1)Cn2c3nc(nc(N)c3nc2Br)NCCOC	1065
+c1(cc(Br)cnc1OC)OC	301
+c1(C)c2c(c(ncc2Br)O)ccc1	301
+c1cnccc1-c2nc(ccc2Br)NCC(N)Cc3ccccc3	301
+c1(c(nn2c(ncc2Br)c1)Cl)C	3185
+n1c(ccc2ncc(n12)Br)F	3185
+n12c(c(Br)cn1)nc(Cl)cc2	3186
+n12c(c(Br)cn1)nc(NCCOC)cc2	3186
+n1[nH]c2cnc3c(cc(OC)c(c3)OC)c2c1Br	5144
+n1(C)ncc(C(CBr)=O)c1	288
+c1c(cc2c(C(=O)O)n[nH]c2c1)Br	63
+n1c(C#N)c(Br)c(C)n1CCCC	635
+c1(c(nc(nc1CC)N)N)Br	1225
+Nc1c(nc(OC)cc1)Br	1068
+Cc1nccc2c3cc(ccc3[nH]c12)Br	63
+n1ccnn1-c2c(C(N3CC(CCC3C)C(CBr)=O)=O)cccc2	400
+n1n(c(C)c(Br)c1C#N)C	635
+n1nsc(c1C)C(=O)CBr	288
+c1(cc(Br)c(Cl)s1)C(=O)OC	1789
+c1(C(=O)O)cc(Br)c(C)s1	1789
+C(Br)CCCCOCCCCBr	114
+C(Br)CCCOCCCBr	114
+C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O	114
+C(C)OC(C1(Oc2cc(ccc2CC1)OCCCBr)CC)=O	114
+C(CCCCCCCCCCCCBr)CCCCOC(C)=O	114
+C(CCCCBr)SCC(=O)N(C)CCCC	114
+n1c(c2c(nc1NCc3ccc(c(Cl)c3)Cl)ncn2CCCCBr)O	114
+C(CCCBr)CN(C(Nc1c(F)cc(cc1)F)=O)CCCCCCC	114
+C(CCCCBr)(NCCCCCBr)=O	114
+BrCCC1CCCOC1	114
+BrCCCC1CCOC1	114
+Nc1c2n(c(CCCBr)cc2Br)ncn1	114
+C(c1c(Cl)ccc([N+]([O-])=O)c1)Br	302
+C(Br)c1cc(c(Cl)cc1F)OC	302
+C(c1ccc(F)c(F)c1C)Br	302
+C1CC(CC1CBr)CC	114
+C1CCCCC1OCCBr	114
+C1CC(CCC1CCCCC)CBr	114
+c1nc(ncc1)NC2CCC(CC2)CCBr	114
+C1CC(CCC1c2ccc(cc2)-c3ccc(cc3)CBr)CCCCC	302
+C1CC(CCN1c2nc(CN3CCCC3=O)nc4c2c(cs4)-c5ccccc5)CBr	114
+C1CC(CCC12C(=O)C(c3cc(ccc3)C)=C(O2)c4cn5ncnc5cc4)Br	5145
+C1COCCC1Nc2c3c(n(nc3)CC)nc(c2CNC(=O)c4ccc(cc4)CCCCCCCCBr)CC	114
+CC(C)(Cc1ccc(cc1)CCBr)C(=O)OC	114
+CC(C)(C)OC(=O)COCCCCBr	114
+CC(C)(C)OC(=O)NC(CCBr)C(OC)=O	114
+CC(C)(C)OC(NC(Cc1cnccc1)CBr)=O	114
+CC(C)(C)OC(N1CC(CC1)NC(=O)COCCBr)=O	114
+CC(C)(C)OC(NC(CCC(=O)OC1CCCCC1)CBr)=O	114
+CC(C)(C)OC(NC(C)CCCBr)=O	114
+CC(C)(C)OC(NC(CBr)C)=O	114
+CC(C)(C)[Si](C)(C)OCc1cc(cc(c1)CBr)Br	302
+CC(C)(CC(Nc1ccc(cc1)CBr)=O)C=2C(=O)C(C)=C(C)C(=O)C=2C	302
+CC(C)(c1nc(CBr)ccc1)OC	1790
+CC(C)c1n(CCCCCBr)c2ccccc2n1	114
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cc(CBr)ccc4)nc12	302
+CC(C)n1ncc2c(cc(nc12)-c3ccc(cc3)CBr)C(NCc4c(nc(C)cc4C)O)=O	302
+CC1(C)C(N(CCBr)c2cc3c([nH]c(n3)-c4cc([nH]n4)C)cc12)=O	114
+BrCCCSCCCCCCCCCCCC	114
+Cc1cccc(C)c1COc2cccc(c2C)CBr	302
+Clc1cc2c(cc1)C(CBr)CC2	114
+c1c(C)cc(nc1Cl)Br	5146
+FC(F)(F)c1cc(CBr)c(-c2c(OC)ccc(c2)-c3ccc(C(=O)OC)cc3C)cc1	302
+N1(C(=O)C)c2cc(C)cc(C)c2C(C1)CCBr	114
+O(C)C(c1sc(cc1)C#CCBr)=O	5147
+O(C)c1c(c(O)c2C(OCc2c1C)=O)CC=C(CBr)C	5148
+O(CC1C(CC=CC1)CBr)C(=O)C	114
+O(c1c(cccn1)CBr)C	3187
+O1C(c2c(cc(cc2)CCBr)C1)=O	114
+BrCc1ccnc(c1)C(=O)N	302
+O=C(c1cc(cc(C(=O)OC)n1)CCCBr)OC	114
+c1ccccc1COC(=O)CN2C(c3c(cc(N(S(=O)(=O)C)CCBr)cc3)C2=O)=O	114
+Oc1ccc2C(CCCCCCBr)=C(CCCc2c1)c3cc(ccc3)O	114
+S(c1ccc(cc1F)CBr)C	302
+c1(ccc(C)n1C(C)CBr)C	114
+c1(CBr)c(Cl)nc2c(cccc2)c1	3187
+c1(cc(ccc1F)Br)COCCCCBr	114
+c1(cc(ccc1[N+]([O-])=O)CBr)OC	302
+c1(cccc(C)c1CCCBr)C	114
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCBr	114
+c1(nc(CBr)ccc1)N2CCCC2=O	1790
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4CCC(CC4)(c5ccc(cc5)Br)CBr	114
+c12c(NC(=O)N1CCCBr)cc(C=O)cc2	114
+C1CCc2c1cc(c(I)c2)CBr	302
+c1[nH]c2c(c1CCCBr)cc([N+]([O-])=O)cc2	114
+c1c(C)c(c(cc1-c2nc(O)c3c(OC)cc(OC)cc3n2)C)OCCCBr	114
+c1(cc(cc(Cl)c1NCC(OCC)=O)CCBr)Cl	114
+c1c(OC(C)=O)cc(cc1)CCCCBr	114
+c1c(OC)c2oc(CBr)cc2c(c1)Br	5149
+c1c(OC)ccc2c(c(C(CCBr)CCCC)sc12)C	114
+c1c(OCCBr)cc(c(OC)c1)OC	114
+C(c1c(C#N)ccc(CBr)c1)#N	302
+c1c(c([N+]([O-])=O)ccc1)CCBr	114
+c1c(cc(CBr)c(F)c1)Br	302
+c1c(ccc(OCCBr)c1F)F	114
+c1cc(CCBr)c(cc1F)[N+]([O-])=O	114
+c1cc(CBr)ncc1Br	1790
+c1cc(c(CBr)cc1Br)OCc2cccs2	302
+c1cc(cc(C)c1OCC(OCC)=O)CBr	302
+c1cc(ccc1)-c2nc(nc(OC)n2)-c3c(Cl)ccc(CBr)c3	302
+c1cc(ccc1)-c2ncc(N(C(C)C)CCCCBr)nc2-c3ccccc3	114
+c1cc(ccc1)C2=C(c3c(CCC2)cc(O)cc3)CCCCCCBr	114
+c1cc(ccc1)Cn2nc(c(c2)CBr)[N+](=O)[O-]	5150
+c1cc(ccc1-c2c(sc(n2)NC(=O)C)-c3ccc(cc3)S(=O)(=O)C)CCCBr	114
+c1cc(ccc1C#N)CCCBr	114
+c1cc(ccc1C)-c2oc(C)c(n2)Cc3cccc(CBr)c3	302
+c1cc(ccc1CCCBr)CCc2nc(NC(=O)C)sc2	114
+c1cc(ccc1OCCOCc2cc(ccc2)C#N)CCBr	114
+c1cc(ccc1CCc2nc(NC(=O)C)sc2)CCBr	114
+c1cc(ccc1CCCOCc2ccccc2)CBr	302
+c1cc(ccc1NC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)CBr	302
+c1cc(ccc1CBr)OP(OCC)(OCC)=O	302
+C1CC(CCC1)C(CBr)n2c3cc(F)c(cc3nc2-c4ccc(cc4)Cl)F	114
+c1cc(ccc1F)CCc2c(cc(CBr)cc2)C(OC)=O	302
+c1cc(ccc1F)N2CC(CBr)CC2=O	114
+c1cc(ccc1OC(=O)C)CBr	302
+c1cc(ccc1CCCBr)OCC(=O)OC	114
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=O)(=NCCBr)C	114
+c1ccccc1COc2ccc(cc2)SCCCBr	114
+c1ccccc1-c2ccc(cc2)CCCCCBr	114
+c1ccccc1-n2cc(C)c(CBr)n2	1790
+c1ccccc1C(N2C(CC(C2)(CCBr)COC)=O)C	114
+c1ccccc1COC(N2CCCCC2CCCBr)=O	114
+c1ccccc1COCCCCCBr	114
+c1ccccc1COc2ccc3c(c2)OC(=O)C=C3CCBr	5151
+c1ccccc1OCCCOCCOCCCBr	114
+O1CC2(COC1(OC2)C3CCC(CC3)C=C(Br)Br)CCC	5152
+BrC1(Br)CC1(CCOC(C)OCC)Br	3188
+BrC1(Br)CC1(COCCCCCC)Br	3188
+C1CC1(c2c(Cl)nc(Cl)cc2)C#N	5153
+C1CC12C(Nc3c(cccc23)F)=O	5154
+c1(C=O)cc(c(F)cc1)OCCBr	5155
+BrC(Br)COc1cc2c(cc1OC)ncnc2Nc3cc(ccc3)Br	1791
+BrC(Br)COc1ccc([N+](=O)[O-])cc1-n2cccc2	1791
+c1(cc(ccc1)Nc2c3c(cc(OC)c(OCCBr)c3)ncn2)Br	3189
+c1cccn1-c2c(OCCBr)ccc([N+](=O)[O-])c2	3189
+FC(F)Oc1n(C)nc(-c2cc(C=O)c(cc2Cl)Cl)c1Cl	5156
+O=Cc1ccc(C(=O)O)cc1F	5157
+Nc1nc(c(-c2cc(F)ncc2)s1)-c3cc(C)ccc3	5158
+N1c2c(CC1=O)cc(Br)cn2	5159
+c1ccccc1S(=O)(=O)OCCC2(CC2(Br)Br)Br	1226
+Nc1c(c2OCC3C(c2c(F)c1)C3)C(=O)OC	5160
+BrC1(Br)C(CCO)(Br)C1	5161
+C(CCOCC=1CC=1)CCC	5162
+c1cc(ccc1)C=2C(=C(C#N)C(N(c3c(cccc3)C)C=2)=O)Cl	5163
+CC1(C)C(C)(C)OB(O1)C=2C(N(C)c3c(cnc(n3)NC)C=2)=O	5164
+C(C=1N=C2SC=C(C)N2C(C=1Br)=O)(C)N=[N+]=[N-]	5165
+CC(C)(C)[Si](C)(C)OC1CC(=C)C(=C1C)CC=C	5166
+C(c1ccc(c(F)c1OC)F)(=C)CC	5167
+c1(OCC#CC)c2ccccc2c(C=O)c(C)c1	3190
+c1cc(ccc1Cc2c(Cl)cc(CCCOCC#CC)c(Br)c2)OCC	5168
+c1cc(ccc1OCC#CC)C(=O)OC	3190
+O(CC(=C)Br)CCCCCC	5169
+CCN(CC)C(CBr)=O	1227
+c1(cc(I)ccc1NC(CBr)=O)C(=O)c2ccccc2Cl	829
+C1CN(CCO1)C(CBr)=O	1227
+CC(C)(C)OC(NC(C)(C)CN(c1ccccc1C)C(=O)CBr)=O	2317
+CCCCN(C)C(=O)CBr	1227
+c1(cc(Cl)c(OC)cc1OC)NC(CBr)=O	829
+Clc1cc(c(cc1)C(=O)O)NC(CBr)=O	829
+NC(=O)c1c(sc2c1CCCC2)NC(CBr)=O	3191
+Clc1c(C(=O)O)c(ccc1)NC(CBr)=O	829
+c1(OC)cc(cc(OC)c1OC)NC(=O)CBr	829
+c1ccccc1CNC(=O)CN2CCc3c(cc(OC)c(c3)OC)C2Cc4cc(c(cc4)O)OC	5170
+c1c2c(ccc1C(CBr)=O)N(CC2)C(=O)C	1792
+N(CCOCCOCCOCCNC(=O)CBr)C(CCCCC(=O)O)=O	5171
+c12c(C(=O)NCCO)c(sc1CCCC2)NC(CBr)=O	3191
+BrCC(Nc1cccc(c1)F)=O	829
+c1ccccc1Oc2c3c(ccc2Br)OCC(=O)N3	5172
+c1cc(ccc1)COC(Nc2ccc(cc2)CN3c4c(N(C5C(C3=O)CCC5)C(CBr)=O)cccc4)=O	2317
+CC(C)N(c1ccc(cc1)C)C(=O)CBr	2317
+C1CC(CCC1CC(=O)OCC)c2ccc(cc2)C(CBr)=O	1792
+c1cc(ccc1)CN(C(C)C)C(CBr)=O	1227
+c1ccccc1COc2nn3c(c2)CN(C(=O)CBr)CC3	1227
+CC(C)(C)OC(=O)NCCCNc1scc(C(=O)c2c(cccc2)C)n1	5173
+CC(C)(C)OC(=O)N1CC2(C1)CCN(CC2)C(CBr)=O	58
+CCOC(OCC)CCN(C(=O)CBr)CC1OCCO1	58
+O=S(=O)(c1ccccc1-c2ccc(c(c2)F)NC(=O)CBr)C	26
+c1(OCCC)ccc(C(=O)CBr)cc1-c2nc(c3c(c(nn3C)CCC)n2)O	94
+CC(C)c1ccc(cc1)-c2c(cccc2C)C(Nc3cnc(N4CCN(CC4)CC(N)=O)cc3)=O	1228
+c1(cc(c2c(c(sc2n1)C(=O)N)N)C(=O)OCC)C	3192
+Cc1cc(n[nH]1)Nc2c(cnc(Nc3c(C)cc(c(c3)C)C4CCCCN4CC(N)=O)n2)Cl	1228
+Cc1cccc(C)c1-c2nc(C)c(c(N3CCN(C(C3)C)CC(=O)N)n2)COc4cc(ccc4C)C(C)C	1228
+c1cc(OCC(N)=O)c(C#N)cc1Br	3193
+c1cc(ccc1Br)C2CC2NCC(N)=O	1229
+C1CN(CCN1c2c(cccc2)F)C(=O)c3cn(CC(=O)O)c4cc(ccc34)Cl	256
+c1cc(ccc1Cl)C(Nc2scc(n2)CC(N3CCN(CC3)C(CBr)=O)=O)=O	10
+CC(C)(C)OC(=O)N1CCC(CC1)OCC(=O)O	337
+FC1(F)Oc2c(O1)cc(N(C(=O)CBr)CC)cc2	429
+O=C(CBr)N(c1ccc2nc(oc2c1)C)C	3194
+O(c1cccnc1Br)CC(=O)OC	1456
+C(CSC)N(CCSC)CC(OC)=O	303
+C1(N)Cc2ccccc2N(CC(=O)OC)C1=O	933
+c1c2CCCC(N(C)Cc3n(c4c(n3)cccc4)CC(=O)OC)c2ncc1	1457
+C1C2CC3CC(CC1C3)C2OC(=O)N4CCC(CC4)(COCC(=O)OC)c5ccccc5	337
+c1cc(ccc1)COC(N2CCC(N(CC(OC)=O)C3CCCCC3)C2)=O	303
+C1CC(CCC1O)Nc2nc3c(c(ccc3cn2)C)OCC(=O)OC	1456
+FC1(F)CCN(CC1)CC(=O)OC	303
+C1CC1NC(c2cc(-c3cc4c(cc3)n(nc4)CC(OC)=O)c(C)c(F)c2)=O	1458
+C1CN(CCC12CCc3ccccc23)CC4C(N(CC(OC)=O)c5c(cccc5)C4)=O	933
+C1CN(CCC1CN(CC(=O)OC)C2CCC2)c3c4c(csc4ncn3)-c5ccccc5	303
+C(CC1C(CCCCC1)=O)(OC)=O	5174
+C1CC(CCN1CC(=O)OC)O	303
+C1CN(CCC1Oc2ccc(cc2)-n3c(nc4cnccc34)-c5nonc5N)CC(=O)OC	303
+C1c2c(cccc2CCC1)OCC(OC)=O	52
+CC(C)(C)OC(=O)N1CC(N(Cc2ccc(cc2)Cl)CC(OC)=O)CC1	303
+CC(C)(C)OC(N1CC(N(C(=O)C12COCCOC2)CC(OC)=O)c3cccc(F)c3)=O	584
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(-c3ccc(cc3)OC)c(n2CC(OC)=O)-c4ccc(cc4)OC	5175
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC(=O)OC)C	52
+CC(C)(C)OC(=O)NC1C(=O)N(CCCC1)CC(OC)=O	584
+CC(C)(C)OC(=O)NC1CN(c2cc(OCC(OC)=O)ccc2)CCC1	52
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(cc2)OCC(OC)=O)c1-c3ccc(cc3)C)=O	52
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)OCC(=O)OC	52
+CC(C)NCC(OC)=O	1459
+CC(C)C1C(=O)N(CC(OC)=O)c2c(c(C(C)C)ccc2)O1	933
+c1(C(=O)C)c(ccc(OC)c1)OCC(OC)=O	52
+Clc1c([N+]([O-])=O)cc(OCC(OC)=O)cc1	52
+Clc1ccc(c(C=O)c1)OCC(OC)=O	52
+FC(F)(F)C1CCN(CC1)CC(=O)OC	303
+FC(F)(F)c1c(Br)ccc(NCC(=O)OC)c1	1230
+FC(F)(F)c1ccc(cc1)-c2nc(n(-c3ccc(cc3)NCC(=O)OC)c2)Cc4ccc(cc4)Br	5176
+FC(F)(F)c1cc(ccc1)N2C(=O)N(C(C3=C2CCCC3=O)c4ccc(cc4)C#N)CC(=O)OC	5177
+N#Cc1ccccc1OCC(OC)=O	52
+C(C(=O)OC)NCCNC(c1nc(c(nc1N)N)Cl)=O	1459
+Nc1cc(OCC(OC)=O)ccc1F	52
+c1cc(c2c3c(n(c2c1)Cc4c5ccccc5ccc4)cccc3OCC(OC)=O)C(=O)N	52
+O(CC(=O)OC)Cc1nccs1	337
+Clc1cc(cc(Cl)c1)-c2cn(CC(=O)OC)cc2C#N	2318
+c1cccc(c1OCC(OC)=O)Oc2cc(ccc2[N+](=O)[O-])F	52
+C=CC(c1c(OCC(OC)=O)c([N+]([O-])=O)ccc1)C	52
+c1(cccc(OCC(OC)=O)c1)Br	52
+c12c(cc([N+]([O-])=O)cc1)ccn2CC(OC)=O	256
+Cc1cc(cc(C)c1OCC(OC)=O)Br	52
+Cc1cc(cc(C)c1OCC(OC)=O)C=O	52
+c1(cc(C)cc(C)c1OCC(OC)=O)-c2occc2	52
+c1c(CO)c(c(OCC(OC)=O)cc1)Cl	52
+c1(cc(cc(Cl)c1)Oc2c(CC)nn(c2CC)CC(OC)=O)Cl	764
+c1c(c(OCC(OC)=O)c([N+]([O-])=O)cc1)CC=C	52
+c1c(c(ccc1)F)-c2ncc(OCC(OC)=O)cc2	1456
+c1c(OCC(OC)=O)c(cc(c1)C(=O)C)Br	52
+C1Cc2c(cccc2)N1CC(=O)OC	2319
+O(CC(=O)OC)c1cccnc1	1456
+c1cc(ccc1)-c2cc(nc3ccccc23)-c4ccc(cc4)OCC(OC)=O	52
+c1cc(ccc1)C(Oc2cc(c(cc2)OCC(OC)=O)[N+](=O)[O-])=O	52
+c1cc(ccc1)C=CC(=O)Nc2cc(ccc2)OCC(OC)=O	52
+c1cc(ccc1)COc2cc(OCC(=O)OC)cc(c2[N+](=O)[O-])OC	52
+c1cc(ccc1)Cc2c3cc(ccc3n(C)c2C)-c4ccc(cc4)OCC(OC)=O	52
+c1ccccc1Cn2c3c(c4c(OCC(=O)OC)cccc24)c(ccc3)C(N)=O	52
+c1cc(ccc1)Cn2c3cc4CCCCc4c(OCC(=O)OC)c3c5c(cccc25)C(N)=O	52
+c1cc(ccc1-c2c3c(n(C)c(-c4ccccc4)c3C)ccc2)OCC(=O)OC	52
+c1cc(ccc1-c2nc(-c3ccc(cc3)F)n(CC(=O)OC)n2)F	5178
+c1cc(ccc1-n2cccn2)Cc3c(c4c(nc3O)c(Cl)ccc4OCC(=O)OC)C	52
+c1cc(ccc1Cc2c(nn3c2nc(cc3C)C)CC)OCC(OC)=O	52
+c1cc(ccc1N(C)c2c3c(nc(C)n2)cccc3)OCC(OC)=O	52
+c1cc(ccc1OCC(OC)=O)N=Nc2ccc(cc2)CO	52
+c1cc(ccc1OCC(=O)OC)CCCO	52
+c1cc(ccc1OC)C(=O)c2ccc(cc2)OCC(=O)OC	52
+c1cc(ccc1Cl)Oc2c(C)n(c3ccc(SC)cc23)CC(OC)=O	256
+c1cc(ccc1SC)C(C(C)CC(OC)=O)=O	5179
+c1ccccc1CN2C(=O)c3ccccc3C(=N2)Cc4c(C)n(c5ccc(Cl)cc45)CC(OC)=O	256
+c1ccccc1COc2ccc3c(c(C(C)=O)nn3CC(OC)=O)c2	1458
+c1cc(ccc1)Cc2cn(CC(OC)=O)c3c2cccc3	256
+c1ccccc1Cn2c(ccc2-c3cc4ccc(cc4cc3)OCC(OC)=O)-c5ccccc5	52
+c1ccccc1Cn2c(cc3c2cccc3OCC(OC)=O)C	52
+c1cc(ccc1)OCC(=O)c2c(c3ccccc3o2)C	702
+Ic1cc(CO)nc(Cl)c1OCC(C)=C	5180
+C=C(C)COc1cc(C)cc(C)c1C	2320
+c1cc(ccc1)-c2cc(ccc2)C(CC(=C)C)C(O)=O	5181
+c1cc(ccc1Br)OCC(=C)C	2320
+c1cc(ccc1OCCOCCCC)-c2cc3c(cc2)N(CC(C)=C)CCCC(=C3)C(=O)OC	5182
+c1ccccc1COc2ccc(Br)c(OCC(=C)C)c2	2320
+FC(F)(F)c1cc(c(c(SC)c1)C(NC2CCCCC2N3CCC(O)C3)=O)OC	1793
+C(C(CCCC)COCCCCCCCCCCO)C	176
+C(#N)CC(CCCC)CC	830
+C(COc1ccc(cc1[N+]([O-])=O)C)(CCCC)CC	8
+C(c1cscc1)C(CCCC)CC	5183
+c1(nn(cc1)CC(Nc2cccc(c2)F)=O)[N+]([O-])=O	1460
+c1cc(ccc1OCC(c2cccnc2C)=O)CC(=O)OC	702
+COc1cccc(c1)SCC(c2cccnc2)=O	5184
+c1cc(ccc1CC(OCC(c2cccnc2)=O)=O)OCc3ccc4ccccc4n3	1231
+n1c(Br)cc(-c2csc(n2)Nc3cccc(C)c3)cc1	354
+C1CC1(c2c(Cl)c(C(=O)OC)ccc2)C#N	934
+c1cc2c(OCCO2)c(c1C(OCC)=O)[N+](=O)[O-]	3195
+C1COCCN1c2cc(c([N+](=O)[O-])cc2)OCCBr	8
+CC(C)(Oc1ccc(cc1C)OCCBr)C(OC)=O	8
+CC(C)(C)C1CCC(CC1)c2cccc(NC(=O)Cc3cc(c(cc3)OCCBr)OC)c2	8
+CC(C)(C)OC(NCCOc1ccc(cc1OC)N2C(c3cc(-c4ccc(cc4)Cl)cn3CC2)=O)=O	5185
+CC(C)(C)OC(=O)N1CCOc2ccc(Br)cc12	5186
+CC(C)(C)c1cc(cc([N+](=O)[O-])c1OCCBr)C(=O)C	8
+CC(C)(Oc1c(C)cc(c(C)c1)SCCBr)C(=O)OC	636
+c1c(cc2c3c4c(ccc3n(CCBr)c2c1)C(CC4)=O)C(C)=O	935
+C1CC1(C#N)c2c(Cl)cc(cc2Cl)Cl	934
+c1c(ccc(Cl)c1F)OCCBr	8
+FC(F)(F)C(=NOCCBr)c1ccccc1	1071
+FC(F)(F)COc1ccccc1OCCBr	8
+FC(F)(F)c1nc(cs1)-c2ccccc2OCCBr	8
+FC(F)Oc1ccc(cc1-c2c(NC(=O)c3c4n(cccn4)nc3)cn(n2)CCBr)Cl	338
+C(#N)C(C#N)=C1N(CCN1CCCO)CCBr	5187
+C1CC1(c2ccnc(c2)Br)C#N	934
+Nc1ccc(OCCBr)cc1[N+]([O-])=O	8
+O(C(=O)CCCN(CCC1Cc2c(cccc2)OC1)CCBr)CC	28
+O=S(=O)(Cc1c(cc(C(Nc2ccc(Cl)c(-c3ccccn3)c2)=O)cc1)OCCBr)C	8
+O=S(=O)(N1CCOc2ccc(cc12)C(OC)=O)c3cc(Cl)ccc3OC	5188
+c1cc2c(cc1C(OCC)=O)OCCO2	3195
+c1c(c(ccc1)OCCBr)Br	8
+c1([N+]([O-])=O)cc(OCCBr)c(cc1)C#N	8
+C1CC1(c2cc([N+]([O-])=O)ccc2)C#N	934
+c1(OCCBr)cccc2nc(C)ccc12	8
+c1(OCCBr)cccc2c1ccc(C#N)n2	8
+c1(cc(cc(Cl)c1OCCBr)Cl)Cl	8
+c1cc(OCCBr)cc([N+]([O-])=O)c1OCC(OC)=O	8
+C1CC1(C(Nc2c(C)cc(cc2)Br)=O)C(OCC)=O	5189
+c1cc(c(cc1Br)C=O)OCCBr	8
+c1cc(OCCBr)c(N)cc1Br	8
+C1CC1(c2ccc(Br)cc2F)C#N	934
+c1c2cccnc2ccc1OCCBr	8
+c1cc(ccc1)C(=NOCCBr)CC(C)C	1071
+c1cc(ccc1)CC2COC(=O)N2C(CC(c3nocc3)c4ccc(cc4)OCCBr)=O	8
+C1CC1(c2ccc(cc2)Br)C#N	934
+c1cc(ccc1Br)OCCBr	8
+c1cc(ccc1C(c2cccs2)=O)C3(CC3)C#N	934
+c1cc(ccc1OCCBr)C=O	8
+C1CC1(c2ccc(cc2)C(O)=O)C#N	934
+c1cc(ccc1F)-c2cc(C(=O)OCC)n(n2)CCBr	338
+c1cc(ccc1C#N)OCCBr	8
+c1cc(ccc1OCCBr)CC=2c3ccc(cc3OC(=O)C=2c4c(Cl)cc(Cl)cc4)OC	8
+c12ccccc1OCCN2	5190
+c1ccc(cc1C(=O)OC)OCCBr	8
+c1ccccc1COc2cc(N3C(=O)C4(CC4)c5c(nc(-c6ccc(OC)c(c6)F)nc35)C)ccc2	5191
+c1c(OC(CCBr)C(OC)=O)ccc([N+]([O-])=O)c1F	289
+C1OCCCC1CCn2c(OC)nc3c2nc(nc3N)OC(CCC)C	5192
+C(OC(CC1c2c(cc(cc2)OCCCBr)CC1)=O)C	8
+C(c1c(OCCCBr)c(cc2CCC(C)(Oc12)CCC(OCC)=O)C(=O)C)CC	8
+C(c1c(ccc(c1OCCCBr)C(=O)C)OCC(OCC)=O)CC	8
+CC(C)(C)OC(N1CCN(CC1)CCCBr)=O	28
+CC(C)(C)OC(=O)n1cc(C2(CCC2)C#N)c3cc(C(OC)=O)ccc13	5193
+CC1(C)C(c2c(C1)c(ccc2)OCCCBr)N3CCCCC3	8
+C1CCC1(c2cccc(OC)c2)C#N	3196
+c1c(Cl)cc(cc1Sc2n(CCCBr)c3c(n2)c(ncn3)N)Cl	637
+Clc1ccc2c(cc(C(=O)OCC)n2CCCBr)c1	339
+FC(F)(F)COc1c(Br)cc(C2(CCC2)C(=O)OCC)cc1Cl	5194
+FC(F)(F)c1c(cnn1-c2cccc(-c3cc(F)ccc3CCc4ccc(cc4C)OCCCBr)n2)C(=O)OCC	8
+FC(F)(F)c1cc(ccc1)N=C2c3ccccc3N(c4ccc(cc4)OCCCBr)C2=O	8
+FC(F)(F)c1c2c(c(c(cc2)OCCCBr)CCC)on1	8
+CN(c1cc(ccc1)OC)CCCBr	936
+C(Oc1ccc(N)c([N+]([O-])=O)c1)CCBr	8
+O(CC)C(C(O)c1cccc(OCCCBr)c1)=O	8
+C1CCOc2c(cc(C=O)cc2O1)Cl	5195
+O=S(=O)(N(CCCBr)CC)c1ccccc1[N+](=O)[O-]	831
+O=S(=O)(N(CCCBr)CCC)c1c([N+](=O)[O-])cccc1	831
+C(COc1ccccc1NC(c2c3c([nH]cc3)ccc2)=O)CBr	8
+Cc1cc(cc(C)c1OCCCBr)-c2nc3c(o2)nc(Cc4ccc(cc4)Cl)nc3OCCC	8
+C(Oc1c(Cl)cc(CO)c(c1)OC)CCBr	8
+C(Oc1cccc([N+]([O-])=O)c1)CCBr	8
+C(Oc1ccc(c([N+]([O-])=O)c1)C)CCBr	8
+C(Oc1cc([N+]([O-])=O)ccc1Cl)CCBr	8
+C(COc1cc(nc2ccc(cc12)OCCCC(OCC)=O)C)CBr	8
+C1C(CC1)(C#N)c2cc3c(cccc3)cc2	3196
+C(Oc1cccc(CC)c1)CCBr	8
+c1cc(C)cc(OCCCBr)c1OC	8
+C(Oc1cc2c(n(CC(OC)=O)cc2)cc1)CCBr	8
+c1cc(ccc1OCCCBr)Br	8
+c1cc(ccc1C(OCC)=O)-c2ccc(OCCCBr)c(-c3ccc4C(C)(C)CCC(C)(C)c4c3)c2	8
+c1cc(ccc1Cc2c(OCCCBr)cccc2)C(N(CC)CC)=O	8
+c1cn(c2cccc([N+]([O-])=O)c12)CCCBr	339
+c1cc2c(cc1)n(c3ccccc23)CCCBr	935
+C1CC1CCOc2nc3n(CCCC4CCOC4)c(OC)nc3c(n2)N	637
+N#CC1(C#N)CCCC1	5196
+c1(ccc(c(O)c1CCC)C(=O)C)SCCCCBr	636
+C1CC1COc2c([N+](=O)[O-])ccc(c2)C3(CCCC3)C(OCC)=O	3197
+N1(CCCC1=O)CCCCBr	638
+C1CCN(C1)Cc2c(N3CCN(CC3)C)c(C)cc([N+]([O-])=O)c2	1793
+C1OC(CCC1)OCC=2OC=C(OCCCCBr)C(=O)C=2	3198
+C(Br)CCCOCCCCCOC1CCCCO1	176
+C(Br)CCCOCCCOC1OCCCC1	176
+CC(C)(C)OC(=O)NC1CCC(CC1)N2CCCC2	1793
+CC(C)(C)OC(c1ccc(cc1)CCCCOCCCCBr)=O	176
+CC(C)(C)OC(=O)N1CCc2cc(OCCCCBr)ccc12	8
+CC(C)(C)OC(N1c2c(cc(OCCCCBr)cc2)CCC1)=O	8
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)OCCCCBr	8
+CC(C)(C)c1cc(ccc1N2CCCC2)Br	2321
+CC(C)CCCC(CCOCCCCBr)C	176
+CC(C)Oc1c(C#N)cc(-c2onc(-c3ccc(cc3Cl)OCCCCBr)n2)cc1	8
+CC1(C)CCC(Nc2cc(ccc12)OCCCCBr)=O	8
+C1CCCN1CCc2c[nH]c(c2)C(OCC)=O	1793
+FC(F)(F)COc1c(ccc(c1)C2(CCCC2)C(OCC)=O)[N+](=O)[O-]	3197
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(OCCCCBr)c3	8
+C1CCCN1c2ccc(C#N)c(Cl)c2	2321
+O=S1(=O)C2(CC(=O)N(CCCCBr)CC1)C(CCCC2)Cc3ccccc3	638
+C1(=O)CSCN1CCCCBr	638
+C1CCC(C1)(C#N)c2cc(Cl)c(cc2)Cl	3199
+c1c2c(oc1CCCCBr)cc(C(=O)O)cc2	5197
+C1CCCN1c2c3c(ccc2)c(ccc3)OC	2321
+C(Br)CCCN1C(=O)C(=O)c2c1cccc2	3200
+C1CCC(C1)(c2c3c(ccc2)cccc3)C#N	3199
+C(C12C(=O)Nc3cccc(CCC1)c23)CCCBr	5198
+c1cc(ccc1)-c2c(c3ccccc3o2)C(=O)c4ccc(cc4)OCCCCBr	8
+c1cc(ccc1)C(C)(CCCCBr)C(=O)OCC	5199
+C1CC(CCC1COCCCCBr)CN(C)C(Oc2ccc(cc2)Cl)=O	176
+c1cc(ccc1F)-n2ccc3cc(ccc23)OCCCCBr	8
+c1cc(ccc1OCCCCBr)C=Cc2nc3c(C(N(C(N3CC)=O)CC)=O)n2C	8
+c1cc(ccc1[N+]([O-])=O)OCCCCBr	8
+c1cc(ccc1)C(=O)N2C3CCCCC3N(CCCCBr)C2=O	1794
+c1c2c(ccc1OCCCCBr)scn2	8
+c1cn(CCCCBr)cn1	541
+O(CCC#C)CCCCCCBr	176
+C(CCOCC#C)CCCBr	3201
+C(CCOCCCc1ccccn1)CCCBr	176
+C(CCOCCOc1cnccc1)CCCBr	176
+C(Br)CCCCCN(Cc1c(cccc1)OC)Cc2ccccn2	28
+C(CCBr)CCCOCCCCCCc1ccccn1	176
+C(CCOCCc1ccccn1)CCCBr	176
+c1cc(ccc1N2CCN(CC2)C(=O)C)OCCCCCCBr	8
+CC(C)(C)OC(NCCN(Cc1ccccc1OC(C)(C)C)CCCCCCBr)=O	28
+CC(C)(C)[Si](C)(C)OCCOCCCCCCBr	176
+CC(C)(C(OCC)=O)CCCCCCBr	1232
+CC(C)CCOCCCCOCCCCCCBr	176
+c1(c(OC)c(ccc1)CCCCCCBr)OC	3202
+c1cc(ccc1F)-n2ccc3cc(OCCCCCCBr)ccc23	8
+c1cc(ccc1C(OC)=O)OCCCCCCBr	8
+CC(C)(CN1C(c2[nH]c3ccccc3c2CC1C)c4c(cc(cc4F)OC5CN(C5)CCCF)F)F	28
+c1cc(ccc1F)COc2cc(F)c(N3N=NN(CCCF)C3=O)cc2	5200
+C(Sc1cccs1)CCNC(=O)C	5201
+C(OCC)(=O)C(C(OCC)=O)(NC(C)=O)CCCSCCCCCCCCCCCC	5202
+C(c1c(ccc(c1O)C=O)OCCF)CC	8
+C1CC1COc2cc3C=CN(C(=O)c3cc2)c4cc(c(N5CC6(CCN(CCF)C6)CC5)cc4)F	28
+C1CN(CCN1CCF)c2cnc([N+]([O-])=O)cc2	28
+C1CN(CCN1CCF)c2nc(C)nc(c2)Nc3sc(C(Nc4c(C)cccc4Cl)=O)cn3	28
+O=S(=O)(c1c2c(cccc2nn1C)OCCF)N=CN(C)C	8
+c1c(c(OCCF)ccc1)Br	8
+c1cc(ccc1)COC(=O)N2CC(C(C2)Nc3c(CC)nc(c(n3)CC)-c4ccc(OC)cc4Cl)OCCF	176
+C1COCCN1c2ccc3c(c2)N(C(=O)C)CC3(C)C	765
+C1CN(CCO1)c2cc(Br)c3c(nc(C)[nH]3)c2	765
+FC(F)(F)c1c(c(Cn2c3c(nc2CF)c(Br)cc(c3)N4CCOCC4)ccc1)C	765
+FC(F)(F)c1cc(N2CCOCC2)cc(Br)c1N	765
+FC(F)(F)c1c(C)c(Cn2c3cc(N4CCOCC4)cc(c3nc2C(F)F)Br)ccc1	765
+FC(F)(F)c1cc(c(C(NC2C(N3CCOCC3)CCC2)=O)c(SC)c1)OC	2322
+C1COCCC1(c2cc(F)c(c(c2)F)-c3nc(C(OC)=O)ccc3F)C#N	2323
+C1COCCC12c3ccncc3NC2=O	5203
+C1CN(CCO1)c2c(F)ncc(Br)c2	5204
+C(OCCBr)COc1ccc(C=O)c(c1)O	8
+O=S1(=O)N(c2ccccc2N1c3ccccc3F)CCOCCBr	1233
+C1COCCN1c2cc(ccc2)Br	765
+C1CN(CCO1)c2cccc(Oc3cnc(Cl)cc3)c2	765
+C1CN(CCO1)c2cccc(Oc3cc(c(Cl)nc3)F)c2	765
+C1CN(CCO1)c2cc(Br)c3nc(CF)n(Cc4cccc(Cl)c4C)c3c2	765
+C1CC(CCO1)(C#N)c2nc(-c3ccccc3)cs2	5205
+C1CC(CCO1)(c2ccc(cc2)Cl)C#N	2323
+c1cc(ccc1OCC(C)CCC)C(CN2CCOCC2)NC(=O)C(C)c3ccccc3	2322
+C1COCCN1C(C)C(OCc2ccccc2)=O	5206
+c1nc(ncc1C2(CCOCC2)C#N)C	5207
+N#CCc1c(Br)cccn1	1461
+Clc1c(OC)cc(CC#N)c(Cl)c1	163
+CC(C)(C)[Si](C)(C)OC1c2c(CCC1)cnc3cc(OCc4c([N+]([O-])=O)cccc4)ccc23	22
+CC(C)C(CN1CCC(CC1)Cc2cc(c(Cl)cc2)Cl)NCc3ccccc3[N+]([O-])=O	370
+[O-][N+](=O)c1c(CSCC)cccc1	639
+c1cc(ccc1)CN2Cc3ccc(cc3C2)C(=O)OC	3203
+C(c1cccc2c1c(C)ccc2)n3c(nc4ccccc34)SCCCC(=O)OCC	505
+N(Cc1cccc2cccnc12)=[N+]=[N-]	2324
+C1(N(C(=CC(=C1Br)OCc2ccc(cc2F)F)C)Cc3cccc(CBr)c3)=O	5208
+n1(Cc2cccc(CBr)n2)nnc3c(-c4oc(cc4)C)nc(N)nc13	5209
+CC(C)(C)OC(=O)NC(c1n(ccn1)Cc2ccccc2OC)Cc3ccccc3	371
+c1c(cc(c(c1)NC=2C(=CN(C(=O)C=2F)Cc3cnccc3)C(=O)OC)F)Br	5210
+n1c(cc(COc2c(OC)cc3c(c2)ncnc3Nc4c(cc(Cl)cc4)F)cc1)Br	22
+c1cc(ccc1-c2cc(F)c(cc2)OC)C(=O)O	5211
+C1=CC(=C(C#N)C(N1CCCC)=O)Br	5212
+C1=CC(Br)=CC(N1CCCC)=O	5213
+C(C)N1C=CN=C(Br)C1=O	3204
+C(OC(CN1C=CN=C(Br)C1=O)=O)C	3204
+C1CCN(C1)c2nncc(Br)c2	2325
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3c(C)ccc(CBr)c3)n2)=O	5214
+COc1c(cc2c(nncc2Br)c1)CC	2325
+COc1c(cc2nncc(Br)c2c1)CC	2325
+Clc1cc2c(cc1)nc(cc2Br)N	3205
+Clc1ccc2ncc([N+]([O-])=O)c(Br)c2c1F	3205
+Brc1ncc(C)cc1[N+](=O)[O-]	1462
+c1(cc(Br)[n+](c2ccccc12)[O-])[N+]([O-])=O	5215
+n12c3ccccc3nc1nc(Br)cc2	5216
+c1ccccc1-c2c(ncc([N+]([O-])=O)c2)Br	1462
+c1cc(ccc1Oc2ccc3c(Br)nc(C(OCCCC)=O)c(O)c3c2)OCCC	1462
+c1cc(ccc1Oc2ccc3c(c(nc(c3c2)Br)C(OCCCC)=O)O)F	1462
+c1ccccc1CN2Cc3ccnc(Br)c3CC2	1462
+c1cc(ccn1)-c2c(-c3cc4ccccc4cc3)nnc(c2)Br	5217
+C(Br)C=C(C[N+](=O)[O-])C	2326
+c1cccc(CCCCCCCCC)c1CBr	148
+C(Br)c1cc(c(OC)cc1F)Br	148
+C(c1ccc([N+]([O-])=O)cc1Cl)Br	148
+c1c2c(ccc1CBr)C(Cc3c(S2)cccc3)=O	148
+C(c1cc2c(cc1)cc(F)cc2)Br	148
+C(c1cc2ccc(cc2cc1)OC)Br	148
+C1CN(CCN1CC)c2c(c(Cl)ccc2)CBr	148
+C1CN(CCN1c2ccc(c(Cl)c2)CBr)CC	148
+CC(C)(C)OC(n1cnc2c(cccc12)CBr)=O	3206
+CC(C)(C)c1ccc(cc1)C=C(C)CBr	3207
+CC(C)(CCCC(CC=CC(=CCBr)C)C)OC	2326
+c1cc(ccc1CC(CBr)C)C(C)(C)CC	703
+CC(C)=CCCC(C)CC=CC(=CCBr)C	2326
+CC(C)CC(=CCCC(=CCBr)CC)C	3208
+CC(C)c1cc(cc(C(C)C)c1CBr)C(C)C	148
+CC1(C)OB(OC1(C)C)c2cc(c(F)cc2)CBr	148
+CC(CC=C(CC)C)C(CC)=CCBr	3208
+CN(C)C(c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCBr)=O	703
+O=CC=1CCc2ccc(cc2C=1Br)F	5218
+COc1cccc2nccc(Br)c12	5219
+Cc1cc(cc(C)c1Nc2sc3c(n2)cccc3CBr)C	5220
+n1c(Br)c(Cl)cc(Br)c1	3209
+Clc1cc(c(cc1)Oc2cc(ccc2OC)CC(=O)OCC)CBr	148
+Clc1cc(c(c(CBr)c1)Cl)OC	148
+Clc1cc(cc(CBr)c1)Br	148
+Clc1ccc(C=C(CCCCC)CBr)c(Cl)c1	3207
+FC(F)(F)c1c(CBr)ccc(I)c1	148
+FC(F)(F)c1c(ccc(CBr)c1)CC2CCCCC2	148
+FC(F)(F)c1cc(CBr)c(cc1)Oc2cccc(c2)C(C(=O)O)C	148
+Fc1cc(CBr)c(F)cc1Cl	148
+N#Cc1cc(F)c(cc1F)CBr	148
+O(C)CCOc1cccc(CBr)c1	148
+O=S(=O)(C)CCCOc1ncc(c(C)c1)-c2ccc(F)c(c2)CBr	148
+O=S(=O)(c1ccc(c(c1)Cl)CBr)C	148
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCBr	703
+O=S(=O)(C)c1cc(Br)ccc1CBr	148
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CBr)cc1)Br)CC	148
+[N+](c1cc(CBr)cc(Br)c1)([O-])=O	148
+c1(c(cccc1)Br)C=CCBr	5221
+c1(cc(cc(Br)c1Oc2cc(C(C)C)c(cc2)O)CBr)Br	148
+c1c(Cl)c(c(cc1OC)Cl)CBr	148
+c1cc(CCBr)cc2c1CCC2	703
+c1(nn2c(cc1)ncc2-c3cccc(Br)n3)N4CCCC4c5cc(ccc5)F	3209
+c12c(cc(c(c1)C)CBr)cccc2	148
+c1c(CBr)cnc2ccccc12	3206
+c1(cccc(C)c1-c2nc(c(cc2)F)CBr)C	2327
+c1(C)cc(cc(C)c1CBr)OCc2ccccc2	148
+c1c(C)nc(CBr)cc1	2327
+c1c(CCBr)cnc(c1)Br	703
+BrCc1c(Cl)cc(Cl)c(c1)OC	148
+c1c(CBr)cccc1O	148
+c1(cncc(Cl)c1CBr)Cl	148
+Fc1cc(cc(F)c1CBr)Br	148
+O(C)c1cc(cc(OC)c1OC)CCCBr	703
+c1c(OC)ccc(CBr)c1OC	148
+c1c(c(Cl)cc(c1)CBr)OCC=C	148
+c1c(cc(F)c(c1)C(Br)C)Br	2328
+c1c(cc2c(OC(CBr)=CC2=O)c1)Br	5222
+c1cc(CBr)cc([N+]([O-])=O)c1OC	148
+c1cc(cc(OCCC)c1OC)CBr	148
+c1cc(ccc1)C(c2ccccc2)C(=O)N3CCC(CC3)CCBr	703
+c1cc(ccc1)C=2c3ccccc3C(OC=2C(C)Br)=O	5223
+c1cc(ccc1)CCCCBr	703
+c1c(Cl)c(c(cc1OCc2ccccc2)Cl)CBr	148
+c1cc(ccc1)COc2ccc(CBr)c(c2F)F	148
+c1cc(ccc1-c2cnc(cc2)C(CC)Br)C(N)=O	5224
+c1cc(ccc1CBr)Oc2ccc(cc2)C(C(OC)=O)=Cc3cc(OC)cc(c3)OC	148
+c1cc(ccc1C(=C(CBr)C)C)C(C)(C)CC	5225
+c1cc(ccc1C(Br)C)Br	2328
+c1cc(ccc1C(C)Br)F	2328
+c1ccccc1-c2onc(c2CCC)-c3onc(-c4ccc(cc4)CCBr)n3	703
+c1cc(ccc1Cl)CCBr	703
+c1cc(ccc1CN2C(C(OC)=NN(c3ccccc3CBr)C2=O)=O)Cl	148
+c1cc(ccc1)CCC2=CC(N(CCc3ccc(cc3)CBr)C=C2)=O	148
+c1cc(ccc1CBr)CCN2C=CC(=CC2=O)OCc3c(F)cccc3	148
+c1cc(ccc1N2C=C(C(OCC)=O)C(c3cc(c(c(Cl)c23)N4CCN(CC4)c5ccccn5)F)=O)CBr	148
+c1cc(ccc1CBr)O	148
+c1cc(ccc1Cn2nc(-c3cc(ccc3)CBr)nn2)OC	148
+c1cc(ccc1OCCOC)CBr	148
+c1cc(ccc1CBr)OCCOCCOC	148
+c1cc(ccc1F)S(=O)(=O)c2c(cccc2)CBr	148
+c1cccc2CCC(CBr)Cc12	703
+c1ccccc1COC(Nc2c(CCCC)cc(cc2F)CBr)=O	148
+c1ccccc1COc2c(CBr)cc(cc2)Br	148
+c1ccccc1COc2ccc(c(Cl)c2)CBr	148
+c1ccccc1COc2cc(Cl)ccc2CBr	148
+c1ccccc1COc2cc(c(CBr)cc2)C	148
+c1ccccc1COc2ccc(Cl)c(c2)CBr	148
+n1ccnn1-c2ccccc2CBr	148
+n1(CCBr)nc(cc1CBr)[N+]([O-])=O	2327
+C1Cc2nn(cc2-c3c1c4c(ncnc4s3)Nc5cc(c(cc5)OCc6ncccc6)Cl)CCBr	5226
+Clc1ccc(-n2ncnc2)c(CBr)c1	5227
+CC(C)Cc1c(cc(Br)cc1)C#N	5228
+c1cc(c([N+](=O)[O-])c2ncccc12)C(O)c3ccc(cc3C)F	704
+CC(C)(C)OC(=O)N1CC(C(c2cc(F)c(Cl)cc2)=O)CC1	832
+c1cc(cc(OC)c1F)C(c2nc(Cl)c3c(cccc3)n2)=O	2329
+c1c(cc(C)cc1)C(=O)c2cc(ccc2)Br	705
+CC(C)(C)OC(=O)NC(C)C(c1cccc(c1)OC)=O	832
+C(c1cccc(OC)c1)(c2ccc3c(cc(CCN4C(CCC4)C)o3)c2)=O	705
+FC(F)(F)c1ccc(cc1)-c2nc(nc(C)c2)-n3cc(Br)nc3C	937
+FC(F)(F)c1cc(ccc1-c2[nH]cc(C(OC)=O)c2C)F	1072
+c1cc(ccc1C(=O)Nc2c(ccc(-c3ncc[nH]3)c2)Cl)OCc4ccccn4	1795
+CC(C)Oc1c(cccc1)-c2c[nH]cn2	1234
+C[Si](C)(C)CCOCn1cnc(Br)c1	1073
+FC(F)(F)c1ccc(cc1)-c2nc(-n3cnc(c3)Br)nc(c2)C	937
+c1n(Cc2ccc3nc(SC)sc3c2)cnc1Br	2330
+FC(F)(F)c1cc(C#N)cc(Oc2c(ccc(CNC(c3[nH]cnc3Br)=O)c2F)Cl)c1	5229
+Brc1[nH]cnc1C(=O)O	1
+[O-][N+](=O)c1c(C)cc(Br)c(c1)Br	31
+C1(=O)Nc2c(c(c(Br)c(Br)c2)[N+]([O-])=O)NC1=O	31
+c1cc(ccc1-c2cscc2Br)OC	1074
+c1cc(ccc1-c2c(C)nccc2)OC	89
+FC(F)(C(=O)OCC)c1ncc(C)cc1F	1796
+c1c(Br)c(F)ccc1OCC2CO2	267
+CC(C)(C)C(NC(=O)c1[nH]c2ccccc2c1)C(N3C4CC(C3)N(C4)C(=O)c5ccc(-c6c(F)cccn6)cn5)=O	1797
+N(C(c1c(Cl)ccc(OC)c1)=O)N(C)c2c(cnc(SC)n2)Br	1798
+Cc1ccnc(COc2cccnc2Br)c1	5230
+O(c1cccnc1Br)C	542
+c1c(F)c(c(cc1)F)C(COc2cccnc2Br)=O	5231
+c1c(I)nc(Br)c(c1)O	1463
+c1(Cl)c(Br)cc(c(C)n1)[N+](=O)[O-]	137
+c1(Cl)c(Br)cnc(C)n1	64
+c1cc(ccc1-c2cc3ccncc3nc2O)N4C(C(C)(C)OC4=O)c5ccccc5	156
+O(c1c(Br)cc(C)cn1)C	766
+O(c1cc(C)cc(Oc2c(cc(c(C)c2OC)OC)C(OC)=O)c1)C	304
+c1(cc([N+]([O-])=O)c(nc1-c2cc(F)ccc2)N)Br	119
+CC1(C)OB(OC1(C)C)c2c3c(ccc2C)cccc3	585
+c1(CCOC2OCCCC2)ccccc1Br	219
+c1(Cl)c2c(Br)csc2ccn1	1799
+C1CC1c2c3c(ccc2)cccc3	5232
+CC(C)(C)OC(N1CCC(CC1)c2nc(cs2)C#Cc3c4c(ccc3)cccc4)=O	1800
+c1c(Cl)ccc(Oc2c3c(cccc3)ccc2)c1C	304
+O=Cc1c(ccc2ccccc12)C=C	146
+c1cc(ccc1)S(=O)(=O)n2cc(Br)c3cccnc23	276
+C=1(Br)C=C(Br)C(=C=[N-])[N+](=O)C=1	5233
+COc1c2ccccc2c(cc1C=O)Br	146
+c1c(c(C)cc2n[nH]cc12)Br	3210
+c1c(-c2cccnc2)c(C)cc(c1C)N	305
+O(C(C)c1ccccc1Cl)c2cc(sc2C(=O)OC)Br	5234
+CC(C)(C)OC(c1ncc(Br)cc1[N+](=O)[O-])=O	1075
+CC(C)(C)[Si](C)(C)OCC1CCCCN1c2sc(c(Br)c2)C=O	1801
+Brc1cc(cc(Br)c1)CC#N	177
+Brc1cc(cc(Br)c1)CCl	109
+c1cc(ccn1)-c2cc(cc(Cl)c2)Br	1802
+CC1(C)c2cc(-c3cc(Br)cc(c3)Cl)ccc2-c4ccccc14	11
+n1cc(cnc1)Nc2cc(Br)cc(c2)Cl	5235
+c1(Br)cc(cc(Br)c1)NC(=S)N	401
+c1(OC)cc(cc(Br)c1)C(=O)OC	833
+Brc1cc(cc(Br)c1CO)F	41
+C1CC(=O)N(c2cc(cc(Br)c12)OC)c3c(C)ccc(c3)C(=O)OC	2331
+c1(Br)cc(cc(Br)c1COC(C)=O)F	204
+c1c(Br)c(c(cc1C=O)Br)OCc2ccc(cc2)OC	139
+c1(cc(cc(Br)c1O)C(=O)N2c3ccncc3OCC2)Br	5
+FC(F)(F)c1cc(ncc1)Nc2nc(Br)cc(C)c2	834
+c1c(C)c(cnc1Nc2cc(C)cc(Br)n2)F	834
+c1c(C)cc(nc1-c2scnc2)Br	2332
+C1Cc2cc(cnc2NC1)-c3nccnc3	3211
+CC(C)(C)OC(N1Cc2c(CC1)sc(c2)Br)=O	23
+Nc1c2cc(Br)cnc2[nH]c1	13
+C1CN(CCO1)C(c2cccc(-c3cc4c(nc3)[nH]cc4)c2)=O	89
+CC(C)(C)OC(NC1CN(C1)c2cnc3[nH]ccc3c2)=O	244
+O=S(=O)(CCC)Nc1ccc(F)c(c1)C(O)c2c[nH]c3c2cc(Br)cn3	1235
+c1(cc(-c2cc3cc[nH]c3nc2)ccc1)C=O	89
+c1cc(c(c(F)c1OCCOC2OCCCC2)C(O)c3c4c([nH]c3)ncc(c4)Br)F	1235
+c1ccccc1S(=O)(=O)n2ccc3c2ncc(Br)c3	276
+c1cc(ccc1Oc2c(Cl)ccc(c2)F)-c3sc(C(=O)N)cc3	3212
+Brc1ccc(C(=O)OC)s1	128
+O(C)C(c1sc(C#CCO)cc1)=O	1236
+c1c2ncn(c2ccc1)-c3ccc(s3)C(CCCC)=O	5236
+C1CN(CCC1(c2ccc(Cl)s2)O)C(OCC)=O	3213
+C1CN(CCC1NC(=O)C)c2cc(ccc2)Br	79
+C1CN(CCN1C)c2cc(ccc2)Br	79
+C1CC(CCN1c2cccc(c2)Br)C(=O)OCC	79
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(c2)Br	79
+CN(C)c1ccc2c(C=CN(c3cc(Br)ccc3)C2=O)c1	2333
+C[Si](C)(C)c1cc(ccc1)Br	1803
+C1OB(OCC1)c2cc(-c3cccc(Br)c3)cnc2	5237
+c1cccc(-c2cc(ccc2)Br)c1OC	11
+c1(cccc([Mg]Br)c1)Br	5238
+c1(cc(ccc1)Br)C(c2cc(ccc2)Br)O	257
+C1CC1c2cc(c3c(c2)OCCN(C3=O)c4c(c(ccc4)Br)C=O)F	1464
+CC(C)(O)c1ccc2c(CCN(C2=O)c3cccc(Br)c3C=O)c1	1464
+O=Cc1cccc(Br)c1CC	146
+CC1(C)Cc2c(sc3C(N(CCc23)c4cccc(Br)c4COC(=O)C)=O)C1	1464
+c1(cccc(Br)n1)NCc2cc(ccc2)F	340
+c1c(nc(N2CCC(NCCCCO)CCC2)cc1)Br	323
+CC(C)(O)c1cccc(Br)n1	938
+CC(C)Oc1nc(ccc1)Br	640
+c1ccccc1COc2c3cc(ccc3ncc2)-c4nc(Br)ccc4	245
+c1c(Br)nc(C(CCCC)O)cc1	3214
+CN(C)c1cccc(n1)Br	323
+c1ccc(C)c(c1N2N=NN(C2=O)C)COc3cccc(Br)n3	640
+c1ccc(C(C)Nc2cccc(Br)n2)cc1[N+]([O-])=O	340
+c1cc(ccc1)-c2nc(Br)ccc2	119
+c1cc(ccc1)Oc2nc(ccc2)Br	1237
+c1cc(ccc1-c2c(c(C)no2)Nc3nc(ccc3)Br)-c4ccc(cc4)C5(CC5)C(=O)OCC	3215
+c1cc(ccc1OC)CNc2cccc(n2)Br	340
+c1ccccc1COc2cc3n(n2)CCN(C3=O)c4nc(ccc4)Br	2334
+c1cnccc1-c2nc(Br)ccc2	1238
+c12c(c(ccc1[N+]([O-])=O)Br)nccc2	1804
+c1cc(ccc1-c2nc(Cc3ccccc3Br)sc2CC(O)=O)F	5239
+C1CCN(C1)c2ccccc2CC(O)=O	79
+O=C(OCC)Cc1ccccc1Br	939
+c1cc(ccc1OC)CN(c2nccs2)S(=O)(=O)c3ccc4c(OCCN4c5c(Br)cccc5)c3	2335
+c1cc(ccc1-c2c3n(ccc2)cc(C)n3)O	1805
+C1CCCC1(O)c2ccncc2Br	5240
+C1CC(CCN1CC23c4c(cccc4)C(c5c2cc(cc5)Cl)C3)(O)c6cccnc6	1239
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)NC(=O)C3CN(C3)c4cnccc4	244
+CC(C)(C)OC(N1CCN(CC1)c2cccnc2)=O	244
+CC(C)(C)OC(N1CCC2(CCCN2c3cnccc3)C1)=O	244
+CC(C)(C)OC(Nc1c(cc(cc1)-c2cnccc2)[N+]([O-])=O)=O	5241
+CC(C)c1c(c2c(n1Cc3ccccn3)cc(Oc4cccnc4)cc2)C(NCc5cc(F)c(cc5)F)=O	706
+O(C(C)c1ccccc1Cl)c2c(C(=O)OC)sc(-c3cccnc3)c2	5242
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(C2=O)Cc3nc(ncc3)Nc4cccnc4	3216
+FC(F)(F)c1ccc(cc1)-c2cnccc2	1806
+O=S(=O)(C)c1cc(-c2cccnc2)ccc1	89
+c1(c(c(ccc1)-c2cnccc2)C)Br	89
+c1ccc(cc1[N+]([O-])=O)C=Cc2cnccc2	1807
+COc1nc2c(cc(-c3cnccc3)cc2)cc1	1806
+c1c(C=Cc2cc(ccc2)Nc3c(cccn3)[N+]([O-])=O)cccn1	1807
+c1(cnccc1)-n2cc(CCC(OCC)=O)c3ccccc23	3217
+c1cc(ccc1C)-c2cccnc2	89
+n1cc(cnc1Nc2cnccc2)[N+]([O-])=O	3216
+C1=C(CCOC1)c2cccnc2F	1076
+C1CC1c2c(nccc2)F	940
+n1cccc(c1F)-c2cc(ncc2)C	3218
+C1=CC=C(Br)C(N1CCCCCl)=O	5243
+C=1N(C(C(Br)=CC=1)=O)C	5244
+CC(C)c1ccc(cc1)-c2n(CCOC)c3c(cc(cc3OC)C(O)c4cccnc4SC)n2	5245
+N1(CCCC1=O)c2cccnc2[N+](=O)[O-]	3219
+n12CCNC(c1c(c3c2c(cc(c3)F)-c4occc4)C)=O	5246
+C1C(C)OC(CN1c2c(c(c(C#Cc3cccs3)cc2C=O)F)F)C	3220
+Brc1ccc(C(CCCC)=O)s1	1808
+c1ccc(-c2cccs2)cc1OCC	268
+c1cc(ccc1-c2sccc2)-c3nc4ccc(S(=O)(=O)C)cc4[nH]3	268
+c1cc(ccc1OCC)-c2sccc2	268
+Brc1ccn2c(c1)nc(c2)COC	5247
+Brc1ccn2c(c1)nc(CCl)c2	3221
+c1(CC(OC)=O)ccc(cc1Cl)-c2cc(ncc2)C(=O)NC	2336
+FC(F)(F)c1cc(NC(c2cc(Br)ccn2)=O)ccc1	187
+Brc1ccnc(C(=O)NC)c1	81
+c1(cc2ccc(cc2cc1)-c3ccnc(C(=O)O)c3)OC	835
+c1ccccc1NC(c2nccc(Br)c2)=O	187
+c1cc(ccc1N)-c2ccnc(C)c2	2336
+c1cc(ccc1Br)C(CC(c2cc(ncc2)C)=O)c3c(cccc3)C	3222
+c1ccc(C(CC(=O)c2ccnc(C)c2)c3cccc(c3)Br)c(C)c1	3222
+C(=O)(N(OC)C)C=Cc1nccc(Br)c1	3223
+C(NC=O)c1nccc(Br)c1	707
+C(Oc1nccc(Br)c1)CCF	430
+n1cccnc1-c2c(C(N3CC(CCC3C)Oc4cc(Br)ccn4)=O)ccs2	430
+CC1(C)OB(OC1(C)C)c2cc(NC(C)=O)ncc2	1809
+C1=CC(Br)=CC(N1CCO)=O	5248
+CC(C)(C)OC(C(C)N1C=CC(Br)=CC1=O)=O	5249
+CC(C)c1ccc(cc1C)NC(c2cc(Br)ccn2)=O	2337
+c1ccccc1CN(C)c2cc(ncc2)C(OC)=O	1465
+OB(O)c1ccnc2[nH]c(C)cc12	3224
+n1nc[nH]c1-c2c(Br)ccs2	2338
+Brc1ccsc1C(=O)N	767
+CC(C)(C)C1OCC=2c3c(C(OC=2C1)=O)scc3	5250
+CC(C)(C)[SiH2]OC(C)(C)C1N(CCC1)c2cc(cnc2)Br	244
+CC(C)(c1cc(cnc1)Br)O	1239
+CC(C)Oc1cncc(Br)c1	1810
+n1cc(cc(-c2cc3CC(N(c3cc2)C)=O)c1)Br	156
+n1cc(cc(c1)-c2c(c3c(cc2)N(C(C3)=O)C)Cl)Br	156
+n1cc(Br)cc(OC)c1	1810
+c1ccc(cc1C#Cc2cncc(Br)c2)OC	1240
+Brc1c[n+](cc(Br)c1)[O-]	341
+c1ccc(cc1[N+]([O-])=O)C=Cc2cncc(Br)c2	1807
+c1ccccc1COc2cncc(c2)Br	1810
+CC(C)c1ccc(cc1)-c2cncc(Br)c2	89
+c1(Br)cncc(NCc2ccccc2O)n1	941
+FC(F)(F)c1ccnc(n1)Nc2cc(-c3scnc3)cc(Br)c2	836
+c1c(N)cc(-c2n3c(nc2)cc(C)cc3)cc1	3225
+CC(C)(C)[Si](C)(C)OCc1ccn2c(ncc2Br)n1	19
+CC1CCCC(C)N1C(=O)c2csc(n2)Br	837
+C(O)(Cn1c(c(nc1Br)Br)Br)=O	4
+CC(C)Nc1c([N+]([O-])=O)cc(c(CC)n1)Br	340
+c1(C)cccc(C)c1-c2nc(c(Cl)n2CCCC)Cl	1795
+CC(C)(C)OC(N1CCCN(c2c3c(cc(Br)n2)cccc3)CC1)=O	323
+CC(C)(C)OC(=O)N1CCC(CC1)(c2nc(cs2)Br)O	5251
+c1(F)cc(cc(F)c1-c2scc(C(=O)OC)n2)OC	1241
+C1(CN(CCC1)c2nc3c(n2Cc4c(F)cccc4Cl)C(N(C(=O)N3C)C)=O)C(=O)OCC	1811
+FC(F)(F)c1cc(c(c(F)c1)[N+](=O)[O-])-n2c(nc(c2)C)Br	431
+Nc1cc(C)cnc1Br	13
+N#Cc1ncc(C)cc1[N+](=O)[O-]	942
+c12[nH]nc(c1cc(Br)nc2)C	5252
+c1c(I)cc(c(Nc2c(cc(Br)nc2)C(=O)O)c1)F	5253
+c1nc(Br)cc(c1F)-c2n(C)c3ccccc3n2	3226
+Nc1c(NC)cc(Br)nc1	13
+BrCc1ccnc(Br)c1	29
+C1CN(CCN1C(NC2CCCCC(Oc3nccc(C)c3)C2)=O)c4ccnc5cc(Cl)ccc45	640
+c1cnc(cc1C)-n2c3c(c4c2cc(cc4)OC)cccc3	5254
+CC(C)(C)OC(N1C(CC(C1)F)C(NCc2ccnc(Br)c2)=O)=O	9
+O=S(=O)(C)OCc1ccnc(Br)c1	7
+C1CC1COc2ccnc(Br)c2	8
+c1ccccc1COc2cc(ncc2)Br	22
+c1cc(ccc1C#Cc2c([N+]([O-])=O)cccn2)CCC(=O)OC	943
+C(O)CN(C)c1nccs1	641
+C1CC1C(c2sccn2)O	5255
+s1ccnc1-c2cc(c(F)cc2)C#N	1241
+c1cc(ccc1F)-c2sccn2	1241
+C1CN(CCC1Oc2sc3cc(ccc3n2)Br)c4nnc(C)s4	2339
+C(OCC)(Cc1cccc(NC(c2oc(Br)cc2)=O)c1)=O	768
+Brc1oc(cc1)C(Nc2cccc(c2)CC(OC)=O)=O	768
+Brc1oc(cc1)C(CC#N)=O	5256
+CSC(SC)=C(C(c1ccc(o1)Br)=O)C#N	5257
+c1cc(ccc1C)-c2oc(cc2)C(=O)Nc3cc(CC(OC)=O)ccc3	1242
+c1cc(ccc1C)-c2sc(-c3cc(c(cc3)CCCCC)F)cc2	268
+Brc1sc(-c2nc(ncc2)S(=O)C)cc1	172
+CC1(C)CC(CC(C)(C)N1)Nc2nccc(n2)-c3sc(cc3)Br	306
+c1(cc2ncn(-c3sc(c(Br)n3)C(OC)=O)c2cc1OC)OC	5258
+c1cc(ccc1Cl)-c2sc(C)cc2	268
+C(C)N(CC)c1ccc(C=O)s1	1801
+CC(C)CNCc1ccc(Br)s1	1466
+c1cc(ccc1-c2cc(F)c(-c3sc(C=O)cc3)cc2)CC	268
+c1cc(ccc1-c2ccc(C=O)s2)CO	268
+c1cc(ccc1Sc2sc(C=O)cc2)Cl	5259
+c1cc(c(-c2sc(CC(OC)=O)cc2)cc1)N	268
+O=S(=O)(c1cccc(Cl)c1)NCc2ccc(Br)s2	71
+N#Cc1c(C)nc(Br)s1	1812
+C(NC(=O)c1c(C)nc(Br)s1)c2cccnc2	454
+c1ccccc1CNC(c2sc(Br)nc2C)=O	454
+c1ccccc1N(Cc2c3c(nc(c2)O)cccc3)C(c4c(nc(s4)Br)C)=O	3227
+O=S(=O)(C)c1cccc(-c2sc(-c3ccn(C)n3)cc2)c1	268
+c1cc(ccc1-c2ccc(CCCCC)s2)OC	268
+C1CN(CCN1C2CCC2)C(=O)CN3CCc4c(sc(n4)Br)C3	224
+C12CCC(O)(CC1CCCC2)C#C	2340
+CC(C)(C)[Si](C)(C)OCCCCCCCCCCCCC#C	5260
+C(C(C)(O)CCCC(C)CCC)#C	2340
+Nc1c(cc(F)cn1)C#CC	2341
+c1(c(c(Cl)ccc1CNC(c2[nH]cnc2Cl)=O)Oc3cc(cc(C#N)c3)C#CC)F	197
+c1cc(ccc1OC)Cn2cnc3c2nc(C#CC)nc3Cl	1467
+FC(F)(F)c1ccc(c(NC(=O)Nc2cccc(C#CC(N)=O)c2)c1)F	5261
+C(OCC)(c1ccc(nc1CC(=O)OCC)O)=O	5262
+CC(C)(C)OC(=O)Nc1cc(C)c(CNC(=O)C#C)c(C)n1	5263
+c1cc(ccc1Oc2ccccc2)-c3c(ncnc3N)NC4CC5(C4)CN(C5)C(=O)C#C	5264
+c1(C(O)C#CC(OC)=O)cc2c(OCO2)cc1	5265
+CC(C)(C)OC(=O)NCCn1nnc(C(OC)=O)c1	2342
+CC(C)(C)[Si](C)(C)OCc1cc2n(cc1)ncc2C(OC)=O	2343
+c1c(Br)nc(Cn2nncc2C(=O)OC)cc1	5266
+c1cc(ccc1C(C2=C(N(C(C=C2)=O)c3c(F)cc(cc3F)Br)N)=O)F	5267
+c1ccccc1COc2cc(Cl)cn3c2c(C(=O)OC)cn3	2343
+c1cc(ccc1-c2noc(C(=O)OC)c2)Oc3c(ccc(F)c3)Br	3228
+c1c(F)cc(cc1Nc2c(C(=O)NC(C#C)(C)CC)cccn2)F	3229
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CCCC(C2)C(NC(C#C)CC(OCC)=O)=O)=O)=O	5268
+c1cc(ccc1Oc2sc(cn2)C#CC(NC(C)=O)C)O	3230
+c1cc(ccc1Oc2sc(cn2)C#CC(NC(C)=O)C)S(=O)(=O)N(C(C)C)C	3230
+FC(F)(F)c1c(cc2cc(C(CSCC)(C)O)n(c2c1)S(=O)(=O)C)C#N	3231
+FC(F)(F)c1ccc(cc1)-c2noc(C(=O)OCC)c2	3228
+CCOC(c1c2n(nc1)ccc3OCCc23)=O	2343
+n1c(C(=O)OCC)cn(n1)-c2ccc(C(NCC)=O)cc2O	3232
+n1c2c(ccc(-n3cc(nn3)C(=O)OCC)c2)n(CC)c1Cn4ccnc4-c5cc(ccc5F)F	3232
+c1c(Cl)c(c(cc1Cn2cc(C(=O)OCC)nn2)Cl)Cl	2342
+c1c(c(cc(-c2noc(C(=O)OCC)c2)c1)C)OCOC	5269
+n1n2c(Cl)cccc2c(c1-c3occc3)C(=O)C#C	2344
+C1(N(CCC1(O)C#Cc2ccnc(-n3nc(C(=O)N)c4cc(OC)ccc34)c2)C)=O	1243
+C(C)OC(=O)c1nn(-c2cccc(C#CC3(C(N(CC3)C)=O)O)c2)c4CCN(Cc14)c5ccncn5	197
+C1(N(CCC1(O)C#Cc2cccc(-n3nc(C(=O)OC)c4cc(C#N)ccc34)c2)C)=O	197
+C1(N(CCC1(O)C#Cc2ccnc(-n3c4cccc(F)c4c(C(=O)OC)n3)c2)C)=O	1243
+c1(C#CC2C(CO)C2)cc3c(cc(cc3)C(O)=O)cc1	197
+c1cc(ccc1C#CC#CC2CC2CO)C(=O)O	5270
+c1(c(OCc2ccc(nc2)OC)ccc(c1)Cn3cnc4cc(-n5nnc(C6CCCNC6)c5)ccc34)OC	5271
+CC(C)(C)OC(N1CCc2c(nc3ccnn3c2N4CC(C4)C(N5CC(C#C)CC5)=O)CC1)=O	10
+C(CN(CCCCO)CCCCCCCCCCCCCCCCCC)#C	1813
+c1cc(cc(c1OCC#C)OC)CCC(OCC)=O	476
+C(COCC#C)OCCOCCOCCO	1244
+C(c1c(OCC#C)cccc1F)CC	476
+C1CN(CCN1CC)CC#C	1813
+C1CN(CCN1c2c(F)cc(F)cc2)CC#C	1813
+CC(C)(C)C(Nc1cc(F)cc(OCC#C)c1C(=O)OC)=O	476
+CC(C)(C)OC(NC1C(=O)N(CC#C)c2c(OC1c3ccccc3)cccc2)=O	5272
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCC#C)=O	476
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c(N)nc3cc(OCC#C)ccc3c12	476
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(c(C)c2)C3=C(OC)CC(CC#C)C3=O	3233
+CCC(c1ccc(OCC#C)cc1O)=O	476
+CCCC(O)(CC#C)CCCC	2345
+C#CCC(CCCC)(CF)O	2345
+Cc1nnc(c2ccc(OCC#C)cc12)Cl	476
+FC(F)(F)C=1N(C)C(C(c2c(cc(c(c2)OCC#C)Cl)F)=NC=1)=O	476
+FC(F)(F)c1nc(Cl)sc1C(=O)OCC#C	5273
+FC(F)(F)c1c(c(N2CC(CC2)OCC#C)ccc1)CN3CCN(CC3)C(=O)OC(C)(C)C	1244
+FC(F)C(CCCC)(CC#C)O	2345
+c1c(F)c(c(cc1C(OC)=O)F)OCC#C	476
+Nc1c(N2N=NN(CCCF)C2=O)c(cc(Cl)c1OCC#C)F	476
+C(COCCOCC#C)OCCO	1244
+O=S(=O)(CC)NC(C(=O)NC1C(c2ccc(OCC#C)c(OC)c2)CCCC1)C(C)C	476
+O=C(c1c(cccc1)SCC#C)O	5274
+c12n(CCOCC#C)c(nc1cnc3ccccc23)CCOC	1244
+c12cc(OCC#C)ccc1[nH]cc2	476
+c1cc(ccc1-c2cc(c(C=3C(C(CC=3OC)CC#C)=O)c(F)c2)Cl)Cl	3233
+c1cc(ccc1Cl)Oc2ccc(C(Cn3cncn3)(OCC#C)CC)c(Cl)c2	1244
+c1cc(ccc1-c2oc3c(cccc3)n2)OCC#C	476
+c1ccc(OCC#C)cc1C(=O)OC	476
+c1cc2c(CN(CC2)CC#C)cc1	1813
+c1ccccc1COC(NC(Cn2c3cc(ccc3cn2)OCC#C)C)=O	476
+C[Si](C)(C)OC(CF)(CC#C)CCCC	19
+C[Si](C)(C)OC(CC#C)(CCOC)C	19
+CC(C)(C)OC(NC1(C(=O)N(C)CC1)CC#C)=O	1245
+COCCC(CCOC)(CNC(OCC1c2ccccc2-c3ccccc13)=O)NCCCC#C	110
+c12c(N)nc(C#CCCCC)nc1n(C3C(O)C(C(CO)O3)O)c(NCC)n2	1467
+C1CN(CCC1)CCCC#C	53
+FC(F)(F)C(Nc1ccc(cc1)C#CCCCCl)=O	121
+C1c2c(CC1Nc3ncc4c(n3)CCN(C(CNCCCC#C)=O)C4)cccc2	402
+CC(C)(C)OC(=O)NCCCC#C	37
+FC(F)(F)C(=O)NC(C(=O)NCCCC#C)CC	9
+c1cc(ccc1C(c2ccc(cc2)C#CCCCO)=C3CCCCCC3)O	197
+C1CN(CCO1)Cc2cc3c(c(C#CCCCO)c2)N(C=C(C3=O)C(=O)NCc4ccc(cc4)Cl)C	121
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(=O)OCCCC#C)cccc2	1468
+CC(C)N(C(C)C)CC#CCCCO	1469
+CC(C)(C)OC(N(C)C1CCC(c2ccc(cc12)C#CCCCO)c3ccc(c(Cl)c3)Cl)=O	121
+CC(C)(C)[Si](C)(C)OCCCC#C	19
+FC(F)(F)C(=O)N(c1ccc(cc1)C#CCCCO)C	121
+FC(F)(F)C(=O)NCCC(c1cc(C#CCCCO)ccc1)O	197
+FC(F)(F)Oc1ccc(cc1)C#CCCCO	121
+FC(F)(F)Oc1cc(c(C#CCCCO)cc1)I	5275
+FC(F)(F)Oc1cccc(C#CCCCO)c1	121
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCO	2346
+FC(F)(F)c1ccc(cc1)-c2c3c(sn2)cc(C#CCCCO)cc3	2346
+FC(F)(F)c1ccc(cc1)C#CCCCO	121
+c1ccccc1-c2ccc(cc2)C#CCCCO	197
+C(CCO)C#Cc1ccccn1	769
+CC(C)(C)C(=O)NCCC#C	68
+O=S(=O)(Cc1ccc(c(c1)Cl)Cl)NCCC#C	111
+c1c(oc2c1cc(cc2)C(N(OC)C)=O)CCN3CCCC3C	1246
+c1cc(ccc1-c2ccc3oc(CCN4C(C)CCC4)cc3c2)C#N	1246
+CC(C)(C)OC(c1ccc(cc1)C#CCCO)=O	121
+Clc1ccc(C#CCCO)c(Cl)c1	121
+C=1C(Oc2c(ccc(C#CCCO)c2)C=1)=O	1247
+c1cc(ccc1Cl)-c2nsc3cc(C#CCCO)ccc23	2346
+FC(F)(F)c1cc(ccc1-c2cc(CCO)on2)Br	1814
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(-n4nnc(CCO)c4)c3)ccc1F)F	5276
+c1c(oc2c1cc(-c3n4c(ccn4)nc5c3CCC5)cc2)CCO	1246
+C(C#Cc1cccc(CF)n1)CO	769
+C(C#Cc1cccc(OC(C)=O)c1)CO	121
+C(C#Cc1cc(Br)c(Cl)cc1)CO	121
+C(C#Cc1cc(C)c(cc1)OC)CO	197
+c1cc(ccc1-c2ccc3oc(cc3c2)CCO)C#N	1246
+c1cc(ccc1C#CCCO)-c2cn3c(cc(C)cc3)n2	197
+c1cc(ccc1CC(=O)OC)C#CCCO	121
+c1cc(ccc1C#CCCO)OCCCN2CCCCCC2	121
+c1cc(ccc1C(=COC(F)F)C(NCCc2cc(OC)c(OCC#C)cc2)=O)Cl	5277
+N(C)C(c1nn(C2CCCCO2)c3cc(ccc13)Nc4ccccc4C(NCC#C)=O)=O	1815
+CC(C)c1n(Cc2ccccc2)c3cc(C(NCC#C)=O)ccc3c1C(=O)NCc4cc(F)c(cc4)F	1815
+C[Si](C)(C)CCOCOc1cc(cc(OCc2ccccc2)c1Br)C(=O)NCC#C	1815
+FC(F)(F)c1cccc(C(=O)NCC#C)c1	5278
+c1c(c(ccc1OC)CNCC#C)OC	5279
+c1cc(ccc1)COc2cc(cc(c2Br)OC)C(NCC#C)=O	1815
+FC(F)(F)C1(ON=C(c2sc(C(=O)NCC(=O)NCC#C)c3CCCc23)C1)c4cc(Cl)c(c(Cl)c4)F	1816
+C(C)N(CC)CC#CCO	1469
+C(CCOCC#C)CCCCBr	3201
+C12CC3CC(C1)CC(C2)(C3)CNC(c4c(cnc(c4)C#CCO)Cl)=O	769
+CC(C)(C)C(Nc1nc(Cl)ncc1F)Cn2cc(nn2)CO	642
+CC(C)(C)N1c2c(C(C(C(NCc3ccc(cc3)Cl)=O)=C1)=O)cc(cc2)C#CCO	121
+CC(C)(C)OC(N(c1ccc(cc1)C#CCO)C)=O	121
+CC1(C)Cc2c3N1C=C(C(=O)OCC)C(=O)c3cc(c2)C#CCO	197
+CCC(=O)N(Cc1cccc(C#CCO)c1)c2cc(-c3[nH]nnn3)ccc2	121
+Cc1n(C2CCCCO2)nc-3c1C(N(c4ccc(C#CCO)cc-34)CC)=O	121
+Clc1c(F)c(C#CCO)ccc1	121
+Clc1cc2oc(CO)cc2c(Cl)c1	1246
+C#CCOc1cnc(c(C)n1)C(=O)OC	5280
+FC(F)(F)c1ccc(cc1)-c2noc(CO)c2	2347
+c1cccc(c1-c2noc(c2)CO)F	1814
+O(c1c(OCC#C)ncnc1)C	1470
+O=S(=O)(c1cc(ccc1)Cl)Nc2cc(nc3sc(c(c23)-c4cccc(c4)OC)C#CCO)C	1236
+c1(nc(-c2nc(CCC)ccc2)nc(c1)C)OCC#C	1470
+Cc1cccc(C)c1C#CCO	121
+c1(C)nc(-c2cccc(n2)C#CCO)cc(OC)c1	769
+C(C#N)Cc1ccsc1C#CCO	1236
+c12oc(-c3cn4nc(sc4n3)OC)cc1c(OCC#C)cc(OC)c2	5281
+C1CCCC(n2c3ccc(C#CCO)cc3cn2)O1	197
+c1c2c(c[nH]c2ccc1)CC(CO)NC(c3cc(cc4c3OCCCC4)C#CCO)=O	197
+o1nc(-c2c(F)ccc(F)c2Cl)cc1CO	1814
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)C#CCO)cnc23	197
+c1cc(ccc1B(O)O)C#CCO	121
+c1cc(ccc1CNS(=O)(=O)c2ccc(cc2)C#CCO)C(=O)Nc3cccnc3	121
+c1cc(ccc1C#CCO)C(OC)=O	121
+c1cc(ccc1CNC(=O)c2cnc3c(OC)cc(C#CCO)cc3c2O)Cl	121
+c1cc(ccc1CNC(c2cnc3ccc(C#CCO)cc3c2O)=O)Cl	121
+c1cc(ccc1Cl)CNC(=O)C2=CN(c3c(cc(C#CCO)c(OC)n3)C2=O)C	2341
+c1cc(ccc1Cl)CNC(C=2C(c3cc(C#CCO)cc4OCCN(c34)C=2)=O)=O	121
+c1cc(ccc1Cl)CNC(C=2C(=O)c3cc(C#CCO)cc4N(C(=O)CN(C=2)c34)C)=O	121
+o1c2cccc(C#CCOC)c2c(C)c1C(=O)OCC	5282
+COCC#Cc1c2OCOc2c(N)c(Cl)c1	121
+Nc1c(cc(C#CCOC)cc1)F	121
+c1cc(ccc1Cl)-c2c(C#CCOC)ncc(C(=O)NC3CCCCC3O)c2	2348
+C#CCOc1cnc(c(C)n1)C(=O)O	1
+C1CC1C(C2CC2)(C#C)O	5283
+CC(C)(C)c1cc(cc(c1N(C)C)Cl)C(O)C#C	1471
+CC(C)(C)c1c(ccc(c1)C(C#C)O)N2CCCCC2	1471
+CC(C)(C)c1c(ccc(c1)C(C#C)O)N2CCCC2	1471
+CC1(C)CCC(C)(C)c2cc(C(O)C#C)cc(c12)OCCOCC	1471
+c1c(Cl)cc(cc1C#C)Cl	5284
+Clc1cccc(c1)-c2c(C(C#C)O)c3n(n2)cncc3	1817
+c1cc2n(c(c1)Cl)nc(c2C(O)C#C)-c3cccc(c3)C	1817
+C#CC(c1c2n(nc1-c3occc3)c(Cl)ccc2)O	1817
+c1cc(ccc1OC)-c2nn3ccc(Cl)cc3c2C(C#C)O	1817
+C1CN(CCO1)CCNc2ncc(cn2)C#Cc3c(ncc(N)c3)C	1472
+C#Cc1c(N)c(c2n[nH]cc2c1)C(=O)O	1
+c1(c(nccc1C(OC)=O)C#Cc2n(nc3c2ccc(OC)c3)C)N	2349
+FC(F)(F)c1ccc(cc1)C#Cc2c(c(c(N)nc2)C#N)C	129
+o1nc(cc1-c2cc(Cl)c(nc2)SC)CC	5285
+c1(OC)cc2c(C#Cc3c(ncc(c3)Cl)N)cn(c2cc1OC)C	5286
+C(C)c1ccc(c(c1)F)C#N	1818
+c1cc(ccc1-c2nc(C#Cc3nc(ccc3)N)c(nc2)N)S(=O)(=O)C(C)C	2350
+C1CCC(C1)CC(c2ccc(cc2)C#Cc3ncccc3)C(OC)=O	129
+c1cc(ccc1Cl)-c2cc(C(=O)OC)cnc2C#Cc3ccccn3	2351
+c1cc(ccc1N)C#Cc2ncccc2	129
+c1(ncc(c(C#Cc2ccccn2)c1)-c3cncc(c3)C=4OC(NN=4)=O)NC(NCC)=O	3234
+C1CC1NC(C=2C(c3cccnc3N(c4cccc(C#Cc5cccnc5)c4)N=2)=O)=O	455
+C1CN(CCO1)Cc2cc3C(C(=CN(C)c3c(C#Cc4cccnc4)c2)C(=O)NCc5ccc(cc5)Cl)=O	129
+N#Cc1c(c2c(sc(C#Cc3cccnc3)c2)nc1)Nc4cc(c(Cl)cc4Cl)OC	5287
+c12ccc(cc1[nH]c(c2)-c3cnccc3)F	5288
+n1c(-c2cccnc2N)c[nH]n1	3235
+c1cc(ccc1Oc2cccc(F)c2)Cc3cc(-c4cccnc4N)on3	1248
+c1cc(ccc1Cc2noc(c2)-c3c(nccc3)N)COc4nccc(c4)F	1248
+c1ccccc1COc2ccc(cc2)Cc3cc(-c4cccnc4N)on3	1248
+c1cc(ccc1OC)Cn2nnc(c2)-c3cc(Br)ncc3	2352
+FC(F)(F)c1nc2n(nc(C#Cc3n(cc(N4CCCC4=O)n3)C)cc2)c1C	2353
+FC(F)(F)c1c(CN2CCN(CC2)C)ccc(C(Nc3ccc(c(C#Cc4n5ncccc5nc4)c3)C)=O)c1	129
+FC(F)(F)c1cc(NC(=O)c2cc(c(cc2)C)C#Cc3n4ncccc4nc3)ccc1CN5CCN(CC5)CCO	129
+FC(F)(F)c1ccc(cc1)Cn2cc(nn2)-c3nc(c(C(=O)OCC)s3)C	3236
+C1OC(OCCCCC#CCCCCCCCC#C)CCC1	2354
+C1CCCCC1Oc2ccc(cc2)Cc3noc(c3)-c4ccc(N)nc4N	1248
+c1cc(ccc1CCc2ccccn2)Cc3noc(-c4ccc(N)nc4N)c3	1248
+c1ccccc1COc2ccc(cc2)Cc3noc(c3)-c4ccc(N)nc4N	1248
+n1n(c(c(C#Cc2cnn3c2c(OC)cc(-c4cnn(C)c4)c3)c1)C)-c5ncccc5	1249
+c1cc(ccc1OC)CNc2ncc3c(c(ncn3)Nc4ccc(Cl)c(c4)C#C)c2	182
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(ncnc2cn1)Nc3ccc(Cl)c(c3)C#C	142
+c1c(C#Cc2c(cccc2)CC#N)cc3C(c4c(-c3c1)ccc(C#N)c4)=O	455
+n1c(C#N)c(Cl)cc(c1)C#Cc2ccc(OC)cc2C	5289
+FC(F)(F)c1cnc(nc1C#Cc2ccc(F)cc2CC(N)=O)Nc3ccc(cc3)C4CCN(CC4)C(=O)OC(C)(C)C	838
+CC(C)(C)[Si](C)(C)OCCc1noc(c1)-c2cnc(Nc3cccc(F)c3)nc2NCCC	5290
+C(#CC(=O)Nc1cc2c(ncnc2cc1)Nc3cc(ccc3)Br)C(C)(CCOC)N	2355
+C(#CC)C1N(C(CCl)=O)C(CC1)C#N	143
+C1CCCC1(CO)NCC(N2C(C#N)CCC2C#CC)=O	402
+C(C#CCCC(OC)=O)CC(O)=O	4
+O=Cc1c(OC)cc(OC)c(c1)C#Cc2ccccc2NC(=O)C	26
+c1cc(ccc1S(=O)(=O)N)C(=O)C=Cc2c(cc(c(c2)C#Cc3c(N)cccc3)OC)OC	307
+O=S(=O)(c1ccc(cc1)C(C=Cc2c(cc(c(c2)C#Cc3c(N)cccc3)OC)OC)=O)NCC(=O)O	307
+c1cc(ccc1S(=O)(=O)NCCCn2cncc2)C(C=Cc3c(cc(c(c3)C#Cc4c(N)cccc4)OC)OC)=O	307
+c1cc(ccc1S(=O)(=O)Nc2ncccc2)C(=O)C=Cc3c(cc(c(c3)C#Cc4c(N)cccc4)OC)OC	307
+C(#N)C(C#N)=C(N1CCC(CC1)CN2CCCCC2)NCCN3CCCC3C	3237
+C1CC(CCO1)Nc2cc(ccc2C#N)-n3c(c(C#N)c(n3)C)N	3238
+Cc1c(C#N)c(n(-c2ccc(cc2F)OC)n1)N	3238
+c1c(OC)c(cc(c1)-c2c(c(n(CCO)n2)N)C#N)OCC	2356
+C(#N)C(C#N)=C1N(CCN1CCCO)CCN2C(CCC2)C	28
+c1cc(ccc1OC2CCCC2O)-c3c(c(nc(c3C#N)N)S)C#N	3239
+C(#N)C(C#N)=C(c1ccc(c(OCC)c1)OC)OC	3240
+FC(F)(F)c1c(c(ccc1)CN2C(N(c3ccc4N(C(=O)N(c4c3)C)C)C=C(C#N)C2=O)=O)C	1819
+c1(OCOC)ccccc1-c2cc(c(c(n2)N)C#N)-c3ccccc3C(=O)OC	5291
+N#CC(C#N)=C(SC)Nc1cc(ccc1)Cl	5292
+N#CC(C#N)=Cc1ccc(cc1Cl)Cl	1250
+FC(F)(F)Oc1ccc(cc1)C=C(C#N)C#N	1250
+FC(F)(F)c1c(C)c(CC(C#N)C#N)ccc1	5293
+N#CC(C#N)=Cc1cc(Br)c(c(OC)c1)OC	1250
+c1cc(O)c2ccc3c(OC(N)=C(C#N)C3c4cc(c(c(c4)OC)OC)Br)c2c1	5294
+c1c2C(c3cc(c(c(c3)OC)OC)Br)C(C#N)=C(N)Oc2c4c(ccc(N)n4)c1	5295
+c1(C)cncc(C)c1-c2c(C)cc(cc2C)C(C#N)C#N	5296
+C(#N)C(C#N)C(=O)c1ccc(OC)c(OCC)c1	5297
+c1ccccc1-c2nn(c3OC(N)=C(C(c4ccc(cc4)OC)c23)C#N)C	5298
+c1cc(ccc1-c2c3c(n(n2)-c4ccccc4)OC(N)=C(C3c5ccccc5)C#N)OC	5299
+c1cc(ccc1O)C=C(C#N)C#N	1250
+c1cc(ccc1C=C(C#N)C#N)OC2CCOC2	1250
+C(#N)C(C#N)=Cc1ccc(cc1)OC2CCCC2O	1250
+C(C(CCCC)CC(CC(CC)CCCC)=O)C	5300
+FC(F)(F)Oc1c(cc(cc1)Br)C(=O)NC(Cc2c[nH]c3c2cccc3)CC#N	14
+C(C(O)c1cc(ccc1)O)CN	51
+C(#N)COc1c(cccc1C)CO	41
+C(c1cccc(c1OCC#N)C)Br	543
+c1ccccc1COc2c([N+]([O-])=O)cc(OCC#N)cc2	22
+c1c2c3CN(C)CCc3n(CCN)c2ccc1C	51
+c1(ccc2c(n(cc2)CC#N)c1)N3C(c4cc(OC)ccc4C3)=O	1473
+C(#N)Cn1c2c(ccc(N)c2)cc1	0
+c1(C(=O)Cl)[nH]c(C#N)c(c1Cl)Cl	1077
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(C#N)c(C(CCC)=O)nc3CCC)=O	371
+CC1(C)C(C)(C)OB(O1)c2cc(-c3c(cccc3)C#N)cc(c2)F	17
+n1[nH]c(nn1)-c2c(cccc2)-c3cc(N)c(cc3)-n4cccn4	2357
+C(#N)c1c(-c2cc(Br)cc(F)c2)cccc1	1078
+C(#N)c1c(cccc1)-c2cc(ccc2)NC3=C([N+]([O-])=O)C(=O)N(C)C=C3	5301
+C(#N)c1c(-c2cc(O)ccc2)cccc1	477
+FC(F)(F)S(=O)(=O)Oc1cc(-c2c(C#N)cccc2)ccc1	166
+C(#N)c1c(-c2ccc(cc2C)CC(C(OCC)=O)C(CCC)=O)cccc1	1251
+C1COC2(O1)CCC(CC2)N3C(=O)C(Cc4sc(cc4)-c5c(C#N)cccc5)=C(CCC)n6c3ncn6	3241
+C1COC2(O1)CCC(CC2)N3C(C(=C(CCC)n4nccc34)Cc5cc(c(-c6ccccc6C#N)cc5)C)=O	3242
+C(=O)c1c(cccc1)C=2CCCCC=2	3243
+NC(=O)c1c(ccc(F)c1N)F	1079
+C(#N)c1c(-c2cc(N)cc(F)c2)cccc1	0
+C(#N)c1c(cccc1)-c2cc(ccc2)NC3=C(C(=O)N(C)C=C3)N	3244
+c1(I)ccc(C(=O)O)c2ccccc12	944
+CC(C)(C)[Si](C)(C)OC1C(C(Nc2c3c(cccc3)c(C#N)cc2)=O)N(CC1)C(=O)OC(C)(C)C	33
+C(#N)c1c2c(c(I)cc1)cccc2	1252
+c1cc(ccc1C#N)C(=O)NNC(=O)C(C(O)C)Nc2ccc(c3ccccc23)C#N	708
+c1cc(C#N)c2c(cccc2)c1CBr	29
+NC(=O)c1c2c(cc(CC(C)NCCOc3ccccc3OCC)c1)CCN2CCCO	216
+NC(=S)c1cc(c2sccc2c1)O	5302
+C(#N)c1c2ccccc2c(NC(C(C)O)C(O)=O)cc1	945
+C(#N)c1ccccc1-c2cc(ccc2F)Br	1078
+C(#N)c1ccccc1-c2c(ccc(N)c2)F	0
+CC1(C)OB(OC1(C)C)c2ccc(c(-c3c(C#N)cccc3)c2)F	17
+C1CN(CCC1Oc2cc(ccc2Br)F)c3nnc(C#N)s3	2339
+O=S(=O)(c1ccc(c(Cl)c1C=2CC(ON=2)C)C(=O)OC)C	1820
+CC(C)(C)OC(=O)NC(CC=C)c1cccc(-c2n(ncc2NC(C(C=C)C)=O)C)n1	3245
+CC(C)(C)OC(NC(c1ccnc(-c2c(cnn2C(F)F)NC(C(C=C)C)=O)c1)CC=C)=O	3245
+c1ccccc1-c2nc3CCCN(CCCC=CCC(=O)OC)c3nc2-c4ccccc4	5303
+c1cc(ccc1)C(CO)NC(C(CC=C)C)=O	9
+c1ccccc1C(NC(C(C)CC=C)=O)COC(C(C)CC=C)=O	27
+C(CC)C(CCC)C(NC(C(OC)=O)CC=C)=O	188
+CC(C)(C)OC(=O)N(C)C(CC=C)C	23
+CC(C)(C)OC(NC(C(=O)O)CC=C)=O	403
+Clc1cccc(Cl)c1C(=O)NC(CC=C)C(O)=O	946
+CC(C)(C)[Si](C)(C)OC1CC(C(=C1)CC=C)=O	947
+C(CCC=C)(=O)CCCCl	5304
+O=Cc1cc(cc(c1OCCC=C)F)Br	3246
+c1cc(ccc1OCCC=C)C#N	3246
+c1cc(ccc1)-c2c(nc3CCCN(c3n2)CCCC=C)-c4ccccc4	1821
+C(=C)CCCn1c2c(cccc2C=C)cc1	339
+C1N(CCCC=C)C(=O)CCCCC1	638
+CC(C)(C)OC(C(CN(S(=O)(=O)c1c(cccc1)[N+](=O)[O-])CCCC=C)C(=O)OC)=O	831
+c1cc(ccc1)C(c2ccccc2)(C(CCCC=C)O)CC(C)N(C)C	5305
+c1nc2N(C(N(C(=O)c2n1C)CCCC=C)=O)C	1474
+c1(cc2c(O)nc(nc2cc1)CCCC)-c3nnn(n3)CCCC=C	3247
+C(OC)(=O)C(C(C)O)CCCC=C	770
+C1(N(CCCCC=C)C(C(=CN1C)C)=O)=O	5306
+c1cc(ccc1C)S(=O)(=O)OCCCCC=C	36
+O=S(=O)(CCC(OC)=O)NCCCC=C	111
+CC(C)(C)OC(=O)N1CCc2cc(OCCCCN(C)CC=C)ccc12	5307
+c1cc(ccc1)C(=O)N(CCC=C)C	115
+C(O)(CCC=C)c1cc2c(c(c1C=C)F)n(cc2)C	5308
+c1ccccc1CCCCOCCC(O)CCC=C	5309
+OC(CCc1ncsc1)CO	3248
+Cc1c2c(c(OCC=C)cc1)c(c(c(n2)O)C)C	3249
+FC(F)(F)c1cccc(C2N(C(=O)C(CC=C)C2)c3ccc(cc3)Oc4ccc(cc4)Cl)c1	5310
+c1c(c(c(c(C(C)=O)c1)C)C)OCC=C	3249
+O=C(N(CC=C)C1C(C(C(O)C(O1)CO)O)O)NCCCl	5311
+CC1(C2CN(C(=O)C12)CC=C)c3cc([N+]([O-])=O)ccc3	5312
+O=S(=O)(c1c(c(c(C(O)=O)cc1)C)NCC=C)C	5313
+CCCCCCCCCCCCNc1c2c(nc(NCC=C)n1)ccc(c2)[N+](=O)[O-]	5314
+c1ccccc1COC(NCCCCCCCC(NCC=C)=O)=O	1475
+CC(C)NC(N1CCN(C(=O)C1)CC=C)=O	5315
+CC(C)(C)OC(N1c2c(cc(cc2)OCCCCN(C)CC=C)CCC1)=O	1822
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(CC2CCC(CC2)CCCCCN(CC=C)C)C	1822
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c3C=CN(C(c3ccc2C)=O)C(CN(C)CC=C)C	5316
+C1CCCC=C1CCC(OCC=C)=O	5317
+CC(C)(C)OC(NC(CCc1ccccc1)C(=O)OCC=C)=O	5318
+[O-][N+](=O)C([N+]([O-])=O)(C)COCC=C	5319
+c1cc(ccc1C2=NOC(C2)CO)Br	1820
+c1cc(ncc1Br)C2=NOC(CO)C2	5320
+c1cc(ccc1)Cn2cc(c3ccccc23)C=NOCC=C	506
+C(=C)CON1C(N2CC1C=C(C2C(=O)N)C)=O	5321
+O(c1nnc(SCC=C)c(c1C)C)CC	5322
+C1CCCCC1(CC=C)O	5323
+CC(C)(C)[Si](C)(C)OC(c1cc(Br)ccc1)CC(CC=C)O	3250
+c1cc(ccc1S(=O)(=O)C2C(COc3c(ccc(c23)F)F)CCC(CC=C)O)Cl	3250
+O=S(=O)(n1c2ncc(c(Cl)c2cc1)CC=C)c3ccc(cc3)C	276
+C1(N(C(N(c2c1nc(Cl)[nH]2)CCCCC)=O)CCCCC#N)=O	3251
+C1CN(CCP1(c2ccc(cc2)F)=O)Cc3ccccc3	5324
+CC(C)[Si](C(C)C)(C(C)C)Oc1ccc2cccc(C=C)c2c1	154
+c1cnc(c2c1c([N+]([O-])=O)ccc2)C#N	5325
+c1cc2cc[nH]c2cc1C3C(C(N(OC)C)=O)C3	3252
+c1cc(ccc1OC(=O)C=CC)C=O	2358
+c1c(OC)ccc(CCC(OC)=O)c1OC	159
+c1c(OC)c(ccc1C(=O)OC)Cn2c3cc(C=CC(NCCC)=O)ccc3cc2	190
+c1(CCC(OCC)=O)[nH]cc(c1)CCCC	1253
+CC(C)(C)OC(=O)N(CC(NCCNC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)C	9
+CC(C)(C)OC(=O)NCCNC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O	9
+c1cc(ccc1CO)NC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC	33
+C(C=O)C1CCCOC1	2359
+c1(CC[N+](=O)[O-])cc(C)cs1	5326
+C(NC(=O)C1C(CCCCCCCC)C1)CCCNC(=N)N	68
+Clc1cccc(Cl)c1-c2c(NC(NCCCCCCCC)=O)nc3c(cnc(n3)NCCCN4CCN(CC4)C)c2	1254
+CCOC(=O)C(C)c1c(OC)c(Oc2c(F)cccc2)ccc1	3253
+CC(C(=O)OCCN(C)CCOC)=C	2360
+C(CCCCCCCO)OC(=O)C(=C)C	2360
+C1CC(CCC1CCC)C2CCC(CC2)CCCOC(=O)C(C)=C	2360
+C1CN(CCN1CCNC(=O)C(C)=C)C=O	3254
+CC(C)(C)OC(N(CCN(Cc1c(-c2ccc(cc2)NC(C(=C)C)=O)nn(C3OCCCC3)c1)C)C)=O	5327
+CC(C)(C)[Si](C)(C)CCCOCC(O)CNC(=O)C(=C)C	3254
+c1cc(ccc1OC(=O)C(C)=C)C=O	3255
+c1cc(ccc1S(=O)(=O)ON=C(C#N)c2cccs2)OC(=O)C(C)=C	3255
+C(OC(=O)C(C)=C)(CC=C)C	5328
+C(c1ccc(C)c(c1)F)NC(C(CCBr)Br)=O	68
+FC(F)(F)c1ccc(cc1)CNC(C(Br)CCBr)=O	68
+O1N(CCC1)C(=O)C(Cl)C	1080
+c1cc(ccc1)CN(C(=O)C(C)Cl)C(CO)C	58
+C1CC12CCc3ccc(cc3C24N=C(C(N4)=S)C)Br	3256
+C1CC(CCC12Cc3ccc(OCCCF)cc3C24N=C(C(N4)=S)C)OC	3256
+CC(C)(C)OC(=O)NC(C(C)C(=O)OC)C(O)=O	403
+CC(NC(C(=O)NCC)CSC)=O	9
+c1(ncc(c(n1)C#Cc2c(cccc2)C(C(=O)N)C)Cl)Cl	838
+CC(C)(C)OC(N1CCC(CC1)n2cc(Nc3nc(C#Cc4ccccc4C(C)C(=O)N)c(cn3)C(F)(F)F)cn2)=O	838
+C(=O)(C)N1c2ccc(cc2CCCC1)O	173
+c12c(CCCCN1C(=O)C)cc(c(Br)c2)O	38
+C(CCS(C)=O)(C(=O)NCCCCCCCC)O	948
+CC(C)(C)OC(=O)CN(C(c1cccc(c1SC(C)=O)C)=O)C2CCCC2	3257
+CN(C)C=CC(=O)c1sc2ccc(Br)cc2c1C	277
+C1CC1(c2ccccc2CCc3nc(ncc3Cl)Nc4ccc(C(=O)C)nc4)C(N)=O	949
+O=C(C(CC(c1ccccn1)=O)=O)OC	5329
+c1c(oc2c1cc(cc2)F)CC	2361
+c1cc([N+]([O-])=O)c2cc(C(=O)C)oc2c1OC	2362
+C(=O)(C)c1oc2cc(C(=O)O)ccc2c1	1
+c1(C(=O)C)cc(c(Cl)s1)[N+](=O)[O-]	5330
+c1cc(c(CC)c2c[nH]nc12)Br	2363
+c1c2c[nH]nc2cc(C)c1I	2363
+C(OC)(=O)C1COCC(C1)O	167
+C(Nc1cccc(Cn2ncc3cnc(nc23)Nc4cnn(c4)C)c1)(C=C)=O	324
+C1C(CN1C(C=C)=O)CNc2nc(nc3c2scc3)Cl	709
+c1c(C#N)c(Cl)cc2c1c(ncn2)N3CC(C(=O)N)N(C(C=C)=O)CC3	5331
+C1C2(CC1)CNC(c3n2c4cc(ccc4c3)C(Nc5cc(c(cc5)F)NC(C=C)=O)=O)=O	324
+C1N(CC12CCCN2C)c3cc(OC)c(cc3NC(C=C)=O)Nc4nc(ccn4)-c5cnn6c5CCCC6	324
+C1C2CC3(CC(CC1(C3)O)C2)C(OC(=O)C=C)C	1255
+C1CC(CCC1CCCCCOC(=O)C=C)c2cccc(F)c2F	1255
+C1CN(CCC1)C(c2ccc(cc2)S(=O)(=O)N3CCC(CC3)NC(=O)C=C)=O	771
+O=S(=O)(c1ccc(cc1)NC(=O)C=C)NC2CCN(CC2)C(=O)OCc3ccccc3	324
+C1CN(CCN1C)c2nc(SC3CCN(CC3)C(=O)C=C)nc(c2)Nc4ncc(C#N)s4	709
+C1CN(CCN1C)c2ccc(Nc3nc4c(C=C(C(N4c5cccc(c5)NC(C=C)=O)=O)CC)cn3)c(OC)c2	324
+C1CN(CCN1C)c2ccc(cc2)Nc3nc4c(cccc4-c5cc(NC(=O)C=C)ccc5)cn3	324
+C1CN(CCO1)CCCOc2c(NC(=O)C=C)cc3c(c2)ncnc3N(C(C)=O)c4ccc(F)c(c4)Cl	324
+C1CN(CCN1c2cc(c(C#N)cc2)F)C(C=C)=O	709
+CC(C)(C)OC(=O)N1C(C(=O)OC)CC(CCNC(=O)C=C)C1	771
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC(=O)C=C	324
+CC(C)(C)OC(=O)N1CCC(CC1)CCNC(=O)C=C	771
+CC(C)(C)OC(NC(CCCCNC(C=C)=O)C(O)=O)=O	771
+CN(C)C1CN(CC1)c2cc(OC)c(Nc3nccc(n3)-c4c5n(nc4)cccc5)cc2NC(C=C)=O	324
+CN(C)C1CN(c2c(cc(Nc3nc(-c4c5ccccc5n(c4)C)ccn3)c(c2)OC)NC(C=C)=O)CC1	324
+CN(C)CCN(c1c(cc(Nc2nc(c(C)cn2)-c3cn(c4c3cccc4)C)c(c1)OC)NC(=O)C=C)C	324
+CN(C)CCN(c1c(cc(Nc2nccc(-c3c4c([nH]c3)cccc4)n2)c(c1)OC)NC(=O)C=C)C	324
+CN(C)CCN(C)c1cc(c(cc1NC(C=C)=O)Nc2ncc(C#N)c(-c3c4n(nc3)cccc4)n2)OC	324
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(c2c(F)c1)Oc4cccc(NC(C=C)=O)c4	324
+Clc1ncc(F)c(NC2CN(CCC2)C(=O)C=C)n1	709
+FC(F)(F)c1cc(Nc2nc(c(cn2)Cl)Nc3c(C(=O)NC)cccc3)cc(NC(C=C)=O)c1	324
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N(C2CCN(CC2)C(C=C)=O)C3CC3	709
+N#Cc1c(c2cc(cnc2nc1)NC(=O)C=C)Nc3cccc(c3)Br	5332
+C(Nc1cc(C)ccc1O)(C=C)=O	324
+O=C1C2CCCCC2C(=O)N1CCOCCOC(=O)C=C	1255
+c1cc(ccc1N(C)C(C2CCOCC2)=O)S(=O)(=O)N3CCC(CC3)NC(=O)C=C	771
+C(COC)Oc1ccc(Nc2nc(c(F)cn2)Nc3cccc(c3)NC(=O)C=C)cc1O	324
+c1(c(F)c(c(c(OC)c1)F)N2Cc3cnc(cc3C4(CC4)C2=O)CNC(C=C)=O)OC	771
+c1(c(Nc2c(cccc2)C(=O)NC)nc(nc1)Nc3cccc(CNC(C=C)=O)c3)Cl	771
+C(C(N(Cc1c(F)cccc1)CCn2c3ncnc(N)c3c(-c4cc(O)cc(c4)F)n2)=O)=C	709
+c12OCCOc1ccc(Oc3cc(Nc4cccc(NC(=O)C=C)n4)ncn3)c2	5333
+c1ccc(Cl)c(OCCC)c1CN(C)C(=O)C=C	5334
+c1cc(ccc1)Oc2cccc(c2)Nc3cc(Nc4cc(NC(C=C)=O)ccc4)ncn3	324
+c1cc(ccc1Oc2ccccc2)-c3c(c(nn3C4CCCN(C(=O)C=C)C4)N)C(N)=O	709
+c1cc(ccc1C(O)=O)C=Cc2ccc(cc2)OCCCCCCOC(C=C)=O	1255
+c1cc(ccc1N(CCCCCCOC(C=C)=O)CC)N=Nc2c(cc(cc2)[N+]([O-])=O)C#N	1255
+c1cc(ccc1C(=O)N2CC3(CC2CC(C)(C)C3)C)NC(=O)C=C	324
+c1cc(ccc1F)NC(=O)C=C	324
+c1cc(ccc1N2C(C(C)C)=Nc3c(Br)c(ccc3C2=O)NC(=O)C=C)Cl	324
+c1cc(ccc1OCCCCCCOC(=O)C=C)C=CC(=O)O	1255
+c1cc(ccc1Oc2c(cc(cn2)N3CCC4(C3)CN(C(=O)C=C)CC4)C(=O)N)Oc5cc(ccc5)F	709
+O=S(=O)(N1CCC(CC1)NC(=O)C=C)c2ccc(cc2)[N+]([O-])=O	771
+c1ccccc1NC(=O)c2ccc(cc2)-c3c(C(N)=O)ccc(C4CCN(CC4)C(=O)C=C)n3	709
+c1ccccc1N(C(=O)C=C)CCn2c3c(c(-c4cc(cc(O)c4)F)n2)c(N)ncn3	5335
+C(C(N(Cc1n(c2c(cccc2)c1)C)C)=O)=C	709
+n1c(NC(=O)c2ccc(-c3c4c(N)nccn4c(C5N(C(C=C)=O)CCC5)n3)cc2F)cccc1	709
+c1cc(ccc1Oc2c(cc(cn2)N3CCC4(C3)CCN(C4)C(C=CC)=O)C(=O)N)Oc5cc(ccc5)F	5336
+CC(C)c1ccc2nc(cn2n1)C	1823
+Cc1cn2ccc(cc2c1)C#N	5337
+c1(Br)c2n(cc(C(=O)OC)n1)cc(C)n2	5338
+n12cc(C)nc1c(cc(C(=O)OC)c2)OCc3c(F)cccc3	3258
+c1c(cc2c(oc(C(=O)C)c2)c1)Br	5339
+FC(F)(F)c1ccccc1C(=O)N2CCN(CC2)c3ccc4nc(cn4n3)CCCCC	1823
+c1cc(ccc1COC(CC(=O)OC)CCCCCCCCCCC)OC	1476
+CCCCC=1CC(n2c(N=1)ccn2)=O	5340
+C(C1c2ccccc2C(=O)N1)C(=O)OC	325
+c1cc(ccc1Cl)C(=O)CCC(C)=O	94
+C1COC(O1)(CCCCBr)C	381
+c1(ccc(c(C)c1)NC(c2cc([N+]([O-])=O)ccc2NC(=O)CF)=O)C	26
+n1nc([nH]c1)-c2c(NC(CN3C(=O)C=Cc4ccc(C#N)cc34)=O)scc2Br	1477
+c1cc(ccc1N2CCN(CC2)CCCNC(=O)CN3c4nccc(C)c4-n5cccc5C3=O)OC	9
+n1c([nH]c(C)n1)NC(C)COC	1478
+C1CN(CCN1C(COC)=O)c2c(C(C)=O)cc(c3cccnc23)Cl	58
+CC(C)(C)OC(=O)N1C(C)(C)OCC1CC(C(C)C)C(c2cc3c(cc2)n(cc3CCCOC)C)OC(COC)=O	204
+CC(C)(C)OC(=O)NC1c2ccccc2C(OCc3cc(ncc3)NC(=O)COC)CC1	195
+O=C(COC)N(OC)C	1080
+c1(nc2cc(Cl)c(Cl)c(NC(=O)COC)c2nc1OC)OC	308
+C(COC)(=O)Nc1cc(ccn1)Oc2ccc([N+](=O)[O-])c3ccccc23	195
+c1cc(ccc1Cl)CN2C(C(=NN(c3cccc(NC(=O)COC)c3)C2=O)OC)=O	26
+c1cc(ccc1F)NC(C2(CC2)C(=O)Nc3cc(c(cc3F)Oc4cc(ncc4)NC(COC)=O)F)=O	195
+c1cccn1-c2c(cc(cc2OCC)CN3CCC(CC3)Nc4nc5c(o4)cccc5NC(=O)COC)OCC	308
+s1c2sccc2c(C)c1	5341
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCC(OCC)=O)c1	1824
+C(=O)(Cc1ccc(c(c1)OC)Oc2ccc3c(cccn3)c2N)OCC	0
+c1cc(C(C)C(=O)OCC)cc2c1SCc3c(cccc3)C2=O	643
+C(=O)(Cc1cccc(NC(=O)c2cccc(-c3cc(ccc3)F)n2)c1)OCC	119
+CC1(C)OC(=O)C(C(=O)O1)C(=O)CCCCCCCCC	3259
+c1(OC)c(cc(OC)c(C(=O)CCCCCCCCC)c1)Cl	94
+c1cc(ccc1)COC(C(C)(C)CCOC(=O)CCCCCCCCC)=O	204
+O=S(=O)(Nc1scnn1)c2ccc(cc2)NC(=O)CCCCCCCCC	26
+c12OCOc1cc3C4(C(=O)N(c5c4cccc5)CCCNC(=O)c6sccc6Cl)COc3c2	1256
+O=C(NNC(=O)CCCCCC)c1cc2Cc3cc(CCCCCCCC)ccc3-c2cc1	3260
+C(=O)(N(C1Cc2cc(N)ccc2OC1)CCC)CC	0
+CC[Si](CC)(CC)OCc1nc(C(=O)C)n(COCC)c1	5342
+C1COCCN1Cc2cc(C(C)=O)c(Cl)s2	5343
+CC(C)(C)OC(Nc1c(CC(C)=O)c(F)ccc1)=O	5344
+c1(cccc(F)c1Cc2cc(c(OC)c(OC)c2)C(C)=O)F	586
+FC(F)(F)C(F)(F)C(=O)C=Cc1nccc(c1)Br	2364
+CC1(C)OB(OC1(C)C)c2cnc3N(CCCc3c2)C(N)=O	234
+O=S(=O)(OC(C)CCCCN1C(=O)c2n3c(N(CC3)C(C)=O)nc2N(C)C1=O)C	710
+c1(N2C(=O)NC(N(CC#C)C2=O)=O)c(Cl)cc(F)c(c1)NC(C)=O	5345
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)N2CC(CCC2)C(NCCC(=O)OC)=O	10
+c1ccc2C(=O)C(C(=O)c2c1)=NNC(=O)Nc3ccccc3O	5346
+CC(C)(C)OC(=O)CN(C(C(CSC(C)=O)C)=O)C1CC1	478
+CC(C)(NC(C(CC)Oc1cc2c(ccc(Br)c2)cc1)=O)COC	9
+O=S(=O)(NC1C(CCC1)C(O)=O)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4	71
+CC(C)(C)OC(=O)N1CC(NCC1)C(O)=O	5347
+C1C2COCC(CN1C(C=Cc3cc(OC)c(cc3NC(C)=O)Cl)=O)N2Cc4ccc(cc4)F	404
+C1CN(CCN1C(C=Cc2cccc(O)c2)=O)C	404
+c1ccccc1COc2cccc(C=CC(O)=O)c2	22
+c12CCC(Nc1ncc(C=CC(=O)N(C)Cc3c4ccccc4n5CCCc35)c2)=O	404
+c1c(CN(C(=O)C=Cc2cc3CN(C)CC(=O)Nc3nc2)C)c4[nH]ccc4cc1	404
+C(C=Cc1ccc(NC(C)=O)nc1)(OC)=O	3261
+C(c1ccc(cc1C)F)CC(=O)O	159
+C(c1ccc(cc1Cl)F)CC(=O)O	159
+c12n(C)c(CN(C(=O)C=Cc3ccc(nc3)N)C)cc1ccs2	404
+c1cc(C=CC(N(Cc2n(c3c(cccc3)c2)C)C)=O)cnc1N	404
+C(=CC(NCCC)=O)c1ccc2cc[nH]c2c1	711
+FC(F)(F)Oc1cc(C(C)NC(=O)C=Cc2ccccn2)ccc1	711
+C1CC1N2C(CC(=O)N(c3ccc(cc3F)I)C2=O)=O	2365
+C1CCCCC1N2C(=O)CC(=O)N(CCCC)C2=O	5348
+C1CCCCC1N2C(CC(N(c3ccccc3S(=O)(=O)F)C2=O)=O)=O	2365
+CC(C)CC=CC(O)=O	3262
+CC(C)Oc1cccc(c1)C(CC(=O)O)N	1479
+CCCCCCCCCCCC=CC(O)=O	3262
+C(CC(=O)CC(OCC)=O)CCCCCCCCCOC1OCCCC1	5349
+Cc1c(c(-n2c3c(cc(Cl)cc3)cc2)n(C)n1)C=CC(=O)O	3263
+OC(=O)C=Cc1ccc(C)c(C)c1	1081
+Clc1cc(cc(Cl)c1)C=CC(O)=O	1081
+FC(F)(F)c1ccc(C=CC(=O)O)c(c1)F	1081
+c1(ccccc1Cl)C(N)CC(O)=O	1479
+c1c(cc(cc1F)C(N)CC(=O)O)Br	1479
+Fc1c(ccc(C(N)CC(O)=O)c1)F	1479
+c1cc(ccc1)C(N)CC(O)=O	1479
+C(=O)(O)C=Cc1ccc(NC(C)=O)nc1	5350
+C(=O)(O)C=Cc1ccc(cc1C)F	1081
+C(=O)(O)C=Cc1ccc(cc1Cl)F	1081
+C(=O)(O)C=Cc1ncccc1	3264
+O=S(=O)(n1c2ccccc2cc1C=CC(O)=O)c3ccc(cc3)Br	3264
+C(c1cc(c(OC)cc1)OC)=CC(O)=O	1081
+c1ccccc1N2C(=O)CC(=O)N(C)C2=O	2365
+c1cc(ccc1-c2c(C=CC(=O)O)cnn2C)F	3263
+c1cc(ccc1C=CC(=O)O)OC(F)F	1081
+C(CC1c2c(CC1)cc([N+]([O-])=O)cc2)C(=O)O	31
+CC(C)(C)OC(CCCCBr)=O	5351
+c1cccnc1N2C(N(CC(Nc3cc4c(CC5(c6cccnc6NC5=O)C4)cc3)=O)CC2)=O	33
+C(C)C(CC)Nc1c(NC(=O)Cn2nccc2)cc(cc1)C(OC)=O	33
+[nH]1c(C(NC2CN(c3cccc(C(=O)OC)c3)C2=O)=O)c(Cl)c(c1C)Cl	712
+c1cc(ccc1NC(=O)c2c(Cl)c(c(C)[nH]2)Cl)C#C	187
+c1cc(c(c(C(Cl)=O)c1OC)F)OC	82
+C1CCC(C1)n2c(c(c3cnc(nc23)Cl)C)C(OC)=O	5352
+c1c(F)c(c(cc1)F)-c2noc(C)c2C(=O)OC	2366
+c1ccccc1C(n2c(C)c(c3c2nc(Cl)nc3)C(OC)=O)C	5353
+c1cc(ccc1)C(C)N2C(=O)CC(C2)CC(C)C(=O)OC	5354
+C(=O)(OC)C(C)c1c(F)cc(C)c(F)c1	3265
+C(=O)(OC)C(C)c1cc(F)c(cc1F)CBr	29
+C(=O)(OC)C(C)c1cc(F)c(cc1F)N	0
+c1ccccc1C2CC2C3CC(=C)C(=O)N3C	5355
+c1cc(ccc1C(=O)O)SCCCCCCCCCC(OC)=O	636
+C(OC1CN(CC1Nc2nc(cnc2CC)CC)C(OC)=O)C	66
+C(CNC(OC)=O)ON=C(C)c1nc2n(Cc3ccc4ncccc4c3)nnc2nc1	101
+O=C(OC)N1CC(C(OCCF)C1)Nc2c(nc(c(CC)n2)-c3ccc(OC)cc3Cl)CC	66
+C1C2CC3CC(CC1C3(C#N)C(OC)=O)C2	5356
+C1CCCCC1(C)c2cc(ccc2OC(=O)OC)F	644
+c1cc(ccc1)CN2CCC(CC2)(c3cccnc3)N(C)C(=O)OC	66
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ccc(cn5)CN(C(OC)=O)CCOC)s4)ncc3	66
+C1CC1NC(Nc2ccc(cc2)-c3nc(N4C(COCC4)C)c5CN(Cc5n3)C(OC)=O)=O	66
+C1CC1Nc2cc(nc3c(C=O)cnn23)NC(=O)OC	278
+C1CCC(C1)c2cc(Cl)ccc2OC(=O)OC	644
+C1CCC(C1)c2c(ccc(c2)CCC(OCC)=O)OC(=O)OC	644
+c1cc(ccc1OC)CCN(C(OC)=O)C2CCCC2	66
+C1CN(CCC1OC(=O)NC2(CCCCC2)C(OCc3ccccc3)=O)C(OC)=O	66
+C1CN(CCC12NC(=O)C(c3c(C)ccc(C)c3)=C2OC(OC)=O)OC	5357
+C1CN(CCN1C(=O)OC)C(C#Cc2cccc(c2)Cl)CC	66
+c1ccccc1Cc2c3ccccc3c(N4CCN(CC4)c5ncc(NC(=O)OC)cc5)nn2	950
+C1CN(CCC1CCC(O)=O)C(OC)=O	66
+C1CN(CCC1CO)C(=O)OC	66
+C1CN(CCN1c2ncc(cc2)-c3cn4c(nc3)ncc4C5(CC5)c6cc7cccnc7cc6)C(OC)=O	66
+C1C(CN1C(OC)=O)c2nc(no2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C	66
+CC(C)(C)C(C(=O)O)NC(OC)=O	544
+CC(C)(C)NS(=O)(=O)c1c(C(OC)=O)ccc(CCNC(=O)OC)c1	101
+CC(C)(C)OC(=O)N1CC(CCC1)C(c2cc(Cl)cc(c2)F)OCCNC(=O)OC	101
+CC(C)(C)OC(=O)N1CCN(C(=O)OC)CC1CCO	66
+CC(C)(C)OC(=O)NC1C(=O)N(Cc2ccc(cc2)-c3c(cccc3)CNC(=O)OC)c4c(cccc4)CC1	101
+CC(C)(C)OC(N(Cc1c(ccc(CCNC(=O)OC)c1)Cl)C2CC2)=O	101
+CC(C)(C)c1ccc(c(Cl)c1)OC(OC)=O	644
+CC(C)C(NC(=O)OC)C(O)=O	544
+CC1(C)C=C(C)c2c(N1)ccc(c2CNc3ccccc3OC)-c4ccc(OC(OC)=O)cc4OC	644
+CC1(C)Nc2ccc(c(COc3c(C)ccc(c3)F)c2C(=C1)C)-c4c(OC)cc(OC(=O)OC)cc4	644
+Clc1c(c2cc(C)n(C(=O)OC)c2cc1)[N+]([O-])=O	1825
+c1(ccc(C)n1-c2c(Cl)c(C(=O)OC)c(cc2)F)C	1826
+Clc1cc(NC(OC)=O)c(c(Cl)c1)[N+]([O-])=O	90
+c1c(Cl)cc(cc1-c2nn(cc2Cl)C(=O)OC)Cl	3266
+Clc1cc(ccc1)NCCCNC(OC)=O	101
+Clc1cccc(c1)-c2c(ccc(COC(=O)OC)c2F)OC	405
+Clc1c(c(F)ccc1)C(=O)OC	1826
+c12c(Br)cccc1c(n(C)n2)C(=O)OC	5358
+FC(F)(F)Oc1ccc(cc1)CC2CC(CCN2C(OC)=O)C(OC)=O	66
+FC(F)(F)S(=O)(=O)N(c1ccccc1CN2CC(C)(C)COC2=S)C(=O)OC	3267
+FC(F)(F)c1c(C(NC(CNC(=O)OC)C(=O)NC)=O)cn(C)n1	101
+FC(F)(F)c1ccc(c(CN(Cc2ccccc2)C(OC)=O)c1)-c3c(ccc(c3)CC(OC)=O)OC	66
+O=C1C=C(OCc2c(cc(cc2)F)CNC(OC)=O)C=C(C)N1c3c(ccc(C(=O)OC)c3)C	101
+c1(COc2nc3c(c(N4CCN(CC4=O)C(=O)OC)cn3CC)cc2)ncccc1	1827
+C(NC(CO)C)(=O)OC	101
+C(OC)(=O)NC1(C(CO)C1)c2cc([N+]([O-])=O)ccc2	101
+C(OC)(=O)Nc1cc(Cl)c(C)cc1	90
+N=1OCC2C(O)C(C(CC=12)OCOC)OC(=O)OC	405
+O=S(=O)(C)N(N1C(N(c2c(cc(-c3ccnn3C)c(C(C)C)c2)C1=O)C(=O)OC)=O)C(=O)C	5359
+O=S(=O)(Nc1ccc(F)c(NC(=O)OC)c1)CC	90
+O=S(=O)(c1ccc(cc1Br)F)N(c2ccc3c(c2C(=O)OC)OCC4CC34)C(=O)OC	3267
+S(CCOc1ccccc1NNC(=O)OC)C	5360
+c1(N2CC(CNC(OC)=O)OC2=O)ccc(I)c(F)c1	101
+c1(N2CC(OC2=O)Cn3nncc3)ccc(N4CC(NC(OC)=O)CC4)c(F)c1	101
+c1(c(F)ccc(c1)NC(OC)=O)[N+]([O-])=O	90
+c1cc(OC(=O)OC)c(C)cc1Br	644
+c1c(cc(c(Cl)c1)CNC(OC)=O)Br	101
+c1cc(cc(CC)c1OC(=O)OC)F	644
+c1cc(cc(Oc2cccc(C#N)c2)c1OC)COC(=O)OC	405
+c1cc(ccc1)-c2nc3ccccc3c(C(=O)NN(C(=O)OC)c4ccccc4)c2C	3268
+C1CN(CCN1C(=O)C2N(C(OC)=O)CC(CC2C(=O)OC)OC)c3ccccc3	1827
+c1cc(ccc1)S(=O)(=O)n2ccc3c4n(C5CC(NC(=O)OC)CC5)nnc4cnc23	101
+c1cc(ccc1-c2nn(CC)cc2-c3c4cc[nH]c4ncc3)NC(=O)OC	90
+c1cc(ccc1Br)C2(CCN(CC2C)C(OC)=O)O	66
+c1cc(ccc1Br)C2CCN(C(=O)OC)C2	66
+c1cc(ccc1CCNc2nc(nc(-c3cc(ccc3)S(=O)(=O)NC(=O)OC)c2)OC)OC	3269
+c1ccccc1-c2nc(no2)-c3ccc(cc3)NC(=O)OC	90
+c1ccccc1C(c2ccccc2)C(=O)N(CC)CC=CCOC(=O)OC	5361
+c1cc(ccc1)CC(C)N(Cc2cc(ccc2Oc3cc(ccc3)CC(OC)=O)Br)C(=O)OC	66
+c1cc(ccc1)CN(Cc2cc(Br)ccc2Oc3c(ccc(CC(=O)OCC)c3)OC)C(=O)OC	66
+n1(Cc2c3c(cccc3)ccc2)c(C(=O)OCC)c(CNC(OC)=O)c4cc(F)ccc14	101
+Fc1cc(ccc1F)COc2c(Cl)cc(C(=O)O)cc2	1
+Cc1cc(C#N)ccc1C(=O)O	1
+c1c(C#N)c(cc(C(=O)OC)c1C)[N+]([O-])=O	77
+C(c1c(C(=O)OC)ccc([N+]([O-])=O)c1)Br	29
+C(C1CN(c2c3c(nc(n2)-c4ccccc4O)cc(C)cc3)CCC1)NC(=O)OC5COCC5	101
+C1(C(C(n2cnc3cc(F)c(F)cc23)OCC1OC(=O)C)OC(=O)C)OC(C)=O	5362
+C(O)C(CO)CCC=C	1257
+c1cc(ccc1F)OCCC(C(OCC)=O)(C(OCC)=O)CCC=C	3270
+C(Cc1nc(ccc1)OC)(OCC)=O	2367
+CCOC(=O)C(C(=O)OCC)c1nc(NC(CCl)=O)sc1	290
+C1CCCc2c(C(=O)O)[nH]nc2C1	6
+O=C(CNC(c1c(OC(=O)C)c2c(cn(Cc3ccc(F)c(F)c3)c2c(n1)C#N)Cl)=O)O	1480
+C(O)(=O)c1sc(N2CCN(C2=O)Cc3ccc4nonc4c3)nc1C	6
+CCN(CC)CCOc1c(Cl)cc(Cl)c(c1)-c2nc(N)nc3sc(cc23)C(OCC)=O	8
+Nc1cc(cc(N)c1)C(=O)OCCCCCCCCOC(=O)C(=C)C	0
+C(c1c(C(=O)OC)cc([N+]([O-])=O)cc1)Br	29
+C(=O)(c1c(c(I)ccc1F)C)O	235
+c1(c(c(I)ccc1F)C)C(=O)OC	128
+c1c(OC(C)=O)c(c(C(=O)O)c(C)c1)C	225
+C(c1sc(C(=O)OC)c2c1CCC2)(C)=O	5363
+c1(c2c(c(F)ccc2)[nH]n1)C(=O)OC	226
+C(C)OC(c1c2ccc(O)cc2[nH]n1)=O	226
+C(=O)(c1c2ccc(O)cc2[nH]n1)O	5
+n12c(Br)nc(c1cccc2)C(N(OC)C)=O	3271
+c1cc(ccc1Cn2c(cc(n2)C(OC)=O)-c3ccc(Cl)c(C)c3)C	309
+C1(=C(C(NC(=O)N1)=O)CC)C(c2cc(C)cc(C=CC#N)c2)=O	3272
+C(=O)(c1cc(C)cc(C=CC#N)c1)c2nc(OC)nc(OC)c2CC	2368
+C(=O)(c1cc(C)cc(C=O)c1)c2nc(OC)nc(OC)c2CC	39
+C(c1c(C(=O)OC)cc(Cl)c([N+]([O-])=O)c1)Br	29
+CC1(C)OB(OC1(C)C)c2cc(c(Cl)cc2C)C(=O)OC	372
+n1c(c2occc2nc1Cl)Nc3cc(C(=O)O)[nH]n3	1
+C(=O)(c1cc([N+]([O-])=O)c(cc1Cl)OCC)OC	116
+Nc1cc(C(=O)OC)c(Cl)cc1OCC	0
+C(c1cc(cc(Br)c1CBr)F)(=O)OC	29
+c1c(C(OC)=O)nc(cc1Br)C(=O)O	1
+n1c(-c2cc(C)c(F)cc2)c(ccc1)-c3cc(C(=O)OC)c4n[nH]cc4c3	140
+c1cc(Cc2c3c(ccc(C(=O)OC)c3)n(C)c2)c(cc1C(=O)O)OC	1
+C(O)c1ccc([N+]([O-])=O)cc1F	98
+c1c2C(OC(=Nc2cc([N+]([O-])=O)c1)Cc3ccc(c(Cl)c3)Cl)=O	3273
+C(=O)(c1ccc(c2nn(C)cc12)F)OC	2369
+O(Cc1ccc(c2c1cn(C)n2)F)C	49
+Brc1ccc(cn1)C(=O)Nc2ncc(C(Nc3ncc(cc3)Br)=O)cc2	2370
+c1c(CO)cn2nc(nc2c1)Br	382
+c1ccccc1CNC(=O)c2ccc3n(ccn3)c2	56
+C(c1cc(ccc1)C(=O)OC)C(=O)O	4
+FC(F)(F)S(=O)(=O)Oc1cc2c(C(OC)=O)cccc2cc1	166
+C(=O)(c1cccc2ccccc12)c3c4cc(ccc4n(CCCCC)c3)O	5
+CC(C)(C)OC(=O)COc1cc2c(n(cc2C(c3cccc4ccccc34)=O)CCCCC)cc1	52
+c1cc(ccc1)CCNC(=O)c2ccccc2NC(=O)c3ccc(OC)c(Cl)c3	14
+c1(c(c(ccc1C)Cl)Nc2ccccc2C(OC)=O)Cl	128
+Cc1c(c(ccc1)Nc2ccccc2C(OC)=O)C	47
+c12c(c3c(Br)cccc3nc1cccc2)Cl	5364
+c1cc(ccc1)C(C(OC)=NC(C)(C)Cc2cc3OCOc3cc2)=O	5365
+c1cncc(NC(c2sc(cc2)Cl)=O)c1C(=O)O	1
+C1C(CC1)(C2CN(CC2)CC(O)c3c(C)c4COC(c4cc3)=O)NC(=O)c5ccc(-n6nnnc6)nc5	56
+C1CC(CCN1CC(c2ccc3c(COC3=O)c2C)O)(C)NC(c4ccc(-n5nnnc5)nc4)=O	56
+c1c(C(Cl)=O)ccc(C)n1	2371
+n1cc(Cl)nc(NC(C)c2cc(ccc2)NC(c3cnc(C)cc3)=O)c1	246
+FC(F)(F)C(C)(C)c1ccc(cc1)-c2noc(-c3cnc(O)cc3)n2	5366
+C1CC(CCN1c2cnc(CC)cn2)N(C3CC3)C(c4cnc(-c5ocnc5)cc4)=O	211
+C1CN(CCC1N(C2CC2)C(c3cnc(-c4ocnc4)cc3)=O)c5nc(no5)C(C)C	211
+CC(C)(C)OC(c1ccc(Br)nc1)=O	5367
+n1cc(C(=O)O)ccc1-c2ccc3cc(OC)ccc3c2	119
+C(=O)(c1cnc(cc1)CCC)O	587
+c1cc(cnc1C(=O)OC)C(Cl)=O	1082
+c1ccc(c2cc[nH]c12)-c3noc(-c4cnc(cc4)CCC)n3	1828
+C1CCC(C1)Oc2ccc(C(=O)O)cn2	91
+C1CCN1C(=O)c2cnc(Cl)cc2	211
+CC(C)(C)NC(=O)c1ccc(nc1)Cl	56
+CC(C)(C)Oc1ncc(cc1)C(=O)O	5368
+C(=O)(c1cnc(cc1)NCC)O	70
+FC(F)(F)Oc1ccc(cc1NC(=O)CN2CCOCC2)NC(c3cnc(cc3)Cl)=O	246
+C(=O)(c1cnc(cc1)NN)O	383
+c1(cc(F)ccc1)-c2ccc(C(=O)O)cn2	140
+c1cc(ccc1C(C)C)NC(=O)c2ccc(nc2)Cl	246
+c1cc(N)c(NC(c2cnc(Cl)cc2)=O)cc1	246
+c1ccccc1CNC(c2cnc(cc2)Cl)=O	56
+c1cc(ccc1)N2C=C(C(=O)c3ccc(cc23)Cl)CNC(c4cnc(cc4)Cl)=O	3274
+O=C(c1cnc(cc1)N)N2CCOCC2C	211
+CCC(=CC)C=CCNC(c1cnc(cc1)N)=O	3274
+C(C)OC(=O)c1cnc(cc1)N	342
+c1nc(ccc1C(=O)OC)NCC	342
+N1(N=CC(C1=O)c2c(OC)cc(C#N)cc2)c3ccc(C(=O)O)cn3	2372
+c1cc(ccc1C#N)C2C(=O)N(N=C2)c3ncc(C(O)=O)cc3	2372
+C1CC1CN2c3[nH]c(Cc4ccc(cc4)N(C(c5cnn(C)c5)=O)C)nc3C(=O)N(Cc6ccccc6F)C2=O	5369
+Cc1cc(cc(c1)NC(c2cc(nn2C)C)=O)O	772
+c1(Cl)ccc(cc1NC(c2cc(nn2C)C)=O)O	772
+c1ccc(NC(c2cc(nn2C)C)=O)cc1C#C	772
+C(=O)(c1nn(-c2cc(I)ccn2)c3ccc(OC)cc13)O	3275
+COc1cc2c(cc1)n(-c3cc(I)ccn3)nc2C(=O)N	247
+C1CC(CCN1CCNC(=O)NC)Nc2nc3c(cccc3)n2Cc4ccc(C)o4	588
+C(C)N(CC)c1nsc(NC(NC)=O)c1C#N	5370
+FC(F)(F)c1cc(ccc1F)NC(=O)c2c3ccc(cc3ccc2)Oc4ccnc(NC(=O)NC)n4	5371
+FC(F)(F)c1cccc(c1)NC(=O)Cc2nc(sc2)NC(=O)NC	1481
+N(C)C(Nc1cc2OCCc3c(-c2cc1)sc(c3)C(N(c4c(Cl)cccc4)C)=O)=O	406
+c12c(C(=O)N(C1=O)C3CCCN(C3)C(=O)NC)cccc2	384
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)NC(=O)NC)C	406
+c1cc(ccc1)NC(NC)=O	406
+c1ccccc1-c2c([nH]c(n2)SCCCCCN(C(NC)=O)CCCCCCC)-c3ccccc3	384
+C(C)OCc1nc2c(N)nc3c(c2n1NCCCNC(NCC)=O)cccc3	588
+C1CN(CCC1Nc2ccc(C(=O)c3c(F)cccc3)c(N)n2)C(NCC)=O	384
+C1CC2(CCN1C(NCC)=O)Oc3ccc(C=CC(=O)OC)cc3C(C2)=O	384
+C1CC1COc2cc3oc(N4CCC(CC4)OCC(C)NC(=O)NCC)nc3cc2	5372
+CC1(C)OB(OC1(C)C)c2cnc(NC(NCC)=O)cc2	1254
+FC(F)(F)c1cc(Cl)c(c(Cl)c1)Oc2cc(C)n(C(=O)NCC)n2	5373
+c1(cnc(NC(NCC)=O)cc1C(=O)OC)Br	1254
+CCNC(=O)Nc1ncc(I)c(Br)c1	1254
+CCNC(=O)Nc1nccc(Br)c1	1254
+c12c(sc(NC(NCC)=O)n1)c(nc(Br)c2)Br	1481
+COc1cc2sc(NC(NCC)=O)nc2cc1Br	1481
+C(NCC)(Nc1sc2cc(C#N)ccc2n1)=O	1481
+O=C(N1C(COc2c(c([N+]([O-])=O)ccc2)C#N)CCCC1)NCC	384
+c1(cc2c(ccc(c2)NC(NCC)=O)nc1O)C(=O)O	406
+c1c2C(c3cc(c(c(c3)OC)OC)Br)C(C#N)=C(N)Oc2c4nc(ccc4c1)NC(NCC)=O	1254
+c1cc(ccc1-n2c(nc3c2ncnc3NC4CCCN(C(NCC)=O)C4)-c5c(cccc5)Cl)Cl	384
+c1cc(ccc1Br)C2CC2CC(=O)NNC(=O)NCC	1829
+c1cc(ccc1-c2sc(nc2C)NC(=O)NCC)OC	1481
+c1cc(ccc1SC(CC)C)OCCOC(=O)NCC	3276
+c1ccccc1COc2cc(-c3c4c(N)ncnc4n(C5CC(C5)CNC(NCC)=O)c3)ccc2	588
+n1c2c(cccc2)c([nH]1)C=Cc3ccccc3NC(NCC)=O	406
+c1c(cccc1C2N3C(N(CCBr)C(=O)C3(C)Cc4c5cc(OC)ccc5[nH]c24)=O)O	2373
+c1c(cccc1C2N3C(N(CCBr)C(=O)C3(C)Cc4c5cc(OCC)ccc5[nH]c24)=O)O	2373
+C1CN(CCN1c2nccc(NC(=O)NCCC)c2)CC	406
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(=O)NNC(=O)NCCC	1829
+C1CCCCC1NC(NCCCC)=O	588
+CC(C)(C)OC(=O)N1CC(OC(=O)NCCCC)C(c2ccc(cc2)F)C1	3276
+O=C(n1c2cccc(c2cc1)C=O)NCCCC	5374
+O=S(=O)(c1ccccc1[Se]C)N=C=O	3277
+O=S(=O)(c1cc(I)ccc1C(=O)OC)NC(=O)NCCCC	1830
+O=S(=O)(c1c(csc1)C)NC(=O)NCCCC	1830
+O=S(=O)(N=C=O)c1ccccc1C(C)=C	3277
+O=S(=O)(NC(NCCCC)=O)c1ccccc1S(=O)C	1830
+CC(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)NCCCC	1830
+c1ccccc1COc2cc(-c3c4c(N)ncnc4n(C5CC(C5)CNC(NCCCC)=O)c3)ccc2	588
+c1(c(cccc1)-n2c3cccc(NC(NCCCCl)=O)c3cn2)F	406
+c1ccccc1C2c3[nH]c4ccc(OC)cc4c3CC5(C)C(=O)N(C(=O)N25)CCCCl	2373
+C1CC1CN(C(NCCCl)=O)C2OC(C(O)C(O)C2O)CO	5375
+c1cc(ccc1OC)CN(C(=O)NCCCl)C2OCC(C(C2O)O)O	5376
+C1CCCC1CC(C(NC(=O)NCCCl)=O)c2ccc(c(c2)Cl)Cl	5377
+C(Cl)CNC(=O)N1CCCC1=O	5378
+C1COCCC1NC(=O)NCCCl	588
+CC(C)(C)CCNC(NCCCl)=O	588
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)NC(=O)NCCCl	406
+CCOC(=O)c1c(C)nc(N2CCNC2=O)s1	3278
+C(Cl)CNC(=O)Nc1cccnc1	2374
+Clc1nccc(NC(=O)NCCCl)c1	406
+c1(ccncc1NC(=O)NCCCl)C	2374
+c1cc(ccc1C(OC)=O)-c2ccc(NC(=O)NCCCl)cc2C	406
+c1cc(ccc1-n2c(CCCNC(NCCCl)=O)c(C(NC3CC3)=O)nn2)C(=O)NCC	588
+c1cc(ccc1NC(=O)NCCCl)-c2nc3n(ncc3)c(NCc4c(cc(cc4)Cl)Cl)c2	406
+c1cc(ccc1NC(NCCCl)=O)NC(C)=O	406
+c1cc(ccc1)C(CC#C)NC(=O)NCCCl	588
+c1ccccc1CNC(c2sc(N3C(=O)NCC3)nc2C)=O	3278
+FC(F)(F)C1=CC(=O)N(C(N1)=O)c2c3OCCCc3c(Cl)cc2F	2375
+c1(cc2c(cccc2)cc1)NC(OCCN(C)C(=O)NCc3c(Cl)cccc3)=O	589
+C1N(CC1Oc2ccc(cn2)I)C(Nc3cnccc3)=O	5379
+OC(C)C1=C(C(C=C(C)O1)=O)O	3279
+OC(C)C1=C(C(C=CO1)=O)O	3279
+C1CC(CCO1)N(c2cccc(C(OC)=O)c2Br)CC	713
+C1CC(CCS1)N(c2c(c(cc(Br)c2)C(=O)OC)C)CC	713
+C1CC1(C#N)NC(=O)C2N(CC(S(=O)(=O)c3ccccc3Cl)C2)C(=O)C4(CC4)N5CCN(CC5)CC	61
+C1CN(CCN1c2ncccc2NCC)C(c3ncc(cc3)C(OC)=O)=O	839
+CC(C)(C)OC(=O)N1c2c(C3(CCN(CC3)Cc4ccccc4)C1)c(ccc2)C(C)O	1482
+CC(C)(C)OC(N1CC(c2ccccc2)N(CC)CC1)=O	61
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cccc(c2CC=C)C(=O)OC)CC	713
+CC(C)(C)OC(=O)n1nc(NCC)c2cc(C3C(=C(C)NC(=C3C#N)C)C#N)ccc12	2376
+CC(C)(C)OC(=O)N1CCC(CC1)N(CC)c2c(c(cc(Cl)c2)C(=O)OC)C	713
+CC(C)(C)OC(NC1C(N(Cc2ccccc2)c3c(cccc3C1)NCC)=O)=O	291
+C1(=O)c2ccccc2C(=O)N1C3CCC(CC3)OCC	5380
+CC(C)C(CN1CCC1)NCC	110
+CC(C)Oc1cc(ccc1[N+]([O-])=O)N2CCC3(N(CCC3)CC)C2	61
+CC1(C)OC2C(O1)C(OC2n3cnc4c(N)ncnc34)CNCC	110
+C[Si](C)(C)CCOCN1C(c2cc(ccc2N=C1n3ncc(C(OCC)=O)c3)NCC)=O	291
+FC(F)(F)c1ccc(C(N(OC)C)=O)c(c1)NCC	291
+FC(F)(F)c1cccc(C(Nc2ccc(c(-c3c(cnn3C)Cl)c2)OCC(C)(C)NCC)=O)c1	110
+c1(sc2c(c1)cc(O)c(Cl)c2Cl)C(O)C	5381
+c1cc(-c2nc3cccc(C(=O)N)c3[nH]2)c(cc1C4CCCN4CC)F	61
+OC(c1c(F)cnc(Br)c1)C	3280
+CC(O)c1c(Cl)c2c(cccc2)nc1	1831
+c1cc(cc(c1Cl)Cl)N=C(N)Nc2nc(cc(n2)C)NC3CN(CC)CCC3	61
+c1cc(ccc1)C(NC(=O)Nc2cc3c(c(NCC)n[nH]3)c(COC)n2)C	2376
+c1cc(ccc1NCC)C2(C(=O)c3c(cc(Cl)cc3NC2=O)Cl)C	291
+C1CC2(CCN1CC)Nc3c(sc(-c4ccncc4)c3)C(=O)N2	61
+C(C)(c1cc2c(nc1Cl)c(F)ccc2)O	1831
+C1CC1(c2ccc(cc2)-c3ccc(cc3)-c4c(c(C)no4)CN(CC)CC(C)c5ccccc5)C(=O)OCC	61
+c1ccccc1Cn2c(C)nc3cc(-c4oc5c(cccc5)n4)ccc23	5382
+c1ccccc1COc2c(C=CC=O)c(Cl)cc(c2)Cl	307
+CC(C)(C)c1nnc(NC(N(C(C)C=O)C)=O)s1	3281
+c1cc(ccc1)-n2cc3cc(cnc3n2)[N+](=O)[O-]	5383
+C(=O)C(NCCl)COC	5384
+ClCc1nnc(NC(=O)N(C(C=O)COC)CCl)s1	3281
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	110
+c1(cc(c(cc1)CNCC)-c2c(ccc(c2)CC(OC)=O)OC)OC	42
+FC(F)(F)C(O)c1c(cccc1)-c2csc(C)c2	714
+c1ccccc1C(=O)C2=Cc3c(cc(cc3OC2=O)OC)OC	5385
+C1CCCCC1c2ccccc2C=O	191
+c1(CO)cc2ccccc2nc1Cl	269
+FC(F)(F)C(O)c1c(cccc1)-c2cscc2C	714
+Oc1ccccc1C(CNC(=S)NC(c2cccc(O)c2)C)O	1832
+FC(F)(F)c1cccc(C(Nc2cccc(C(NNC(=S)Nc3c(cccc3)Cl)=O)c2)=O)c1	5386
+CN(C)S(=O)(=O)c1c(ccc(NC(Nc2c(cccc2)Cl)=S)c1O)Cl	773
+c1c(ccc(c1Cl)-c2nc(N(CCC)c3c(OC)ccc(C(=O)O)c3)sc2C)OC	1258
+c1cc(ccc1CN2c3sc(CC)cc3C(=O)N(C2=O)CC(c4n(C)c5c(cccc5)n4)=O)-c6c(cccc6)C#N	1833
+c1ccccc1CN2C(CN(CC2)c3cc(OC)cc(c3)OC)C(N)=O	1834
+C(N1C(C(N)=O)CN(CC1)c2cc(cc(Br)c2)OC)c3ccc(OC)c(c3)OC	1834
+c1ccccc1CN2CCN(CC2C(N)=O)c3ccccc3	1834
+C(C)OC(=O)c1nc(cs1)C(=O)O	5387
+COc1cc(ccc1Cl)Nc2scc(n2)C(=O)O	2377
+c1cc(ccc1O)-c2scc(C(=O)O)n2	1835
+C1CC(CCC1NS(=O)(=O)C(C)C)CNc2nc(cs2)-c3ccccn3	3282
+C1CN(CCO1)CC=C(C[N+](=O)[O-])C	3283
+O(C)C(OC)CN(C(=O)OCC)CC=CC	5388
+O=S(=O)(c1c(-c2ccccc2)c(cc(c1)C(O)=O)NCC=CC)N	5389
+c1cc(ccc1OCCOCCCC)-c2ccc3N(CCC(C(=O)OC)=Cc3c2)CC=CC	5390
+c1cc(ccc1C(N2CCC(C2)Nc3nc(c(C#N)cn3)-c4c5ccccc5[nH]c4)=O)NC(C=CCN(CCO)C)=O	2378
+c1cc(ccc1NC(C=CCN(C)C)=O)C(=O)Nc2cc(Nc3ccc(Cl)c(-c4c5ccccc5[nH]c4)n3)ccc2	2378
+c1cc(ccc1C(N2CCC(C2)Nc3nc(c(C#N)cn3)-c4c5ccccc5[nH]c4)=O)NC(C=CCN(C)C)=O	2378
+N(c1c(OC)cc2c(c(Nc3cc(Cl)c(F)cc3)c(C#N)cn2)c1)C(=O)C=CCBr	1259
+N(c1c(OCC)cc2c(c1)c(ncn2)Nc3c(F)c(c(Cl)cc3)Cl)C(=O)C=CCBr	1259
+N(c1c(OCC)cc2c(c1)c(ncn2)Nc3cccc(C#C)c3)C(=O)C=CCBr	1259
+c1c(c(cc(c1)Nc2c3c(cc(OCC)c(NC(=O)C=CCBr)c3)ncn2)Cl)OCc4cccc(F)c4	1259
+c1cc(ccc1Oc2ccccc2)N3c4c(N)ncnc4N(c5cc(ccc5)NC(=O)C=CCBr)C3=O	1259
+CC(C)(C)N(C)CC=CC(N1Cc2sc3ncc(c(Nc4ccc(F)c(Cl)c4)c3c2CC1)C#N)=O	5391
+C(Br)CCCCOc1ccc(cc1CCC(=O)OCC)CCCCC(=O)OCC	8
+c1(OC)n(c2nc(nc(N)c2n1)OCCCC)CCCCCBr	637
+C1CCCCC1(c2cc(Br)cc(Br)c2OC)C#N	2323
+C(CCCCBr)OC1=COC(CO)=CC1=O	3198
+CC(C)(C)OC(=O)N1CCC(CC1)OCCCCCBr	176
+C1CCCCN1CC(C)(C)O	2322
+C1CC(CCC1)(C(=O)OCC)C#N	5392
+Clc1ccc2c(OCCCCCBr)ccnc2c1	8
+c1ccccc1OCCCCCBr	8
+c1cc(ccc1SC(c2ccc(OC)c(c2)OC)CCCCCBr)C	5393
+C1CC(CCC1N(C(Oc2ccc(cc2)Cl)=O)C)OCCCCCBr	176
+c1ccc2ccc3c4c(ccc1c24)ccc3COCCCCCBr	176
+c1cc(ccc1C(c2ccccc2)=O)OCCCCCBr	8
+C(Br)CCCCCNc1c(O)cccc1	15
+c1c(c(ccc1)[N+]([O-])=O)NC(CCCCCN=[N+]=[N-])=O	310
+C(CCCC)CCOc1ccc2c(ncc(c2)C=O)c1	8
+O=Cc1cc(ccc1OCCCCCCC)Br	8
+c1ncn(c1)CCCCCCC#N	541
+CCC1(NC(C)(CC)CC2(C1C)C(N(C(N2)=O)CCCCCCCC)=O)C	3284
+O(CC)C(=O)C(C(=O)C)=NOCCCCCCCC	1071
+C(CCC)CCCCN=[N+]=[N-]	310
+O=Cc1cc(ccc1OCCCCCCCC)Br	8
+c1cc(ccc1-c2ccc(OCCCCCCCC)c(F)c2)C(=O)O	8
+n1cc(cnc1-c2c(F)c(F)c(cc2)OCCCCCCCC)-c3cnc(cc3)OCCCCCCCC	8
+C(Br)CCCCCCC(Cl)=O	130
+C1CN(CCC1Nc2c3c(nc(CC)c2CNC(CCCCCCCBr)=O)n(CC)nc3)C(N)=O	68
+CC(C)Oc1c(-c2cn(cn2)CCCCCCCC(OC)=O)cccc1	541
+O(C(=O)CCCCCCCN1C(Nc2ccccc12)=O)C	3285
+c1cc(ccc1OCCCCCCCCCCCCCC)C(OC)=O	8
+C1CC(CCN1CCCCCCCCCCCCO)C(=O)N	28
+CC(C)(C)[Si](C)(C)OCCCCCCCCCCCCBr	19
+c1cc(ccc1OCCCCCCCCCCCCO)C=O	8
+C1CN(CCO1)CCCCCCCCCCCCc2c3C(NC(c3ccc2)=O)=O	28
+C(CCCCCCCCCCCCCCl)CC=C	3286
+c1ccnc(c1)CN(CCCCCCN2CCc3c(cccc3)C2)Cc4ccccc4OC	28
+C(Br)CCCCCc1cccc(c1O)O	5
+c1(c(c(OC(C)=O)ccc1)OC(=O)C)CCCCCCBr	5394
+O(c1ccc(cc1CCC(=O)OCC)CCCCC(=O)OCC)CCCCCOc2ccc3c(OCCC3=O)c2CCC	8
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCCN4C(=O)C(=O)c5c4cccc5	28
+C(Br)CCCOCCCCCO	168
+C(Br)CCCOCCCO	168
+c12c(C(CCC3CCN(CCSc4c(ccc(F)c4)F)CC3CC(=O)OC)O)c(cnc1ccc(c2)OC)F	28
+O(C(=O)C1CN(CCSc2c(ccc(F)c2)F)CCC1CCC(=O)c3c4c(ccc(OC)c4)ncc3F)C	28
+O=Cc1c2c(c(cc1)[N+]([O-])=O)OCO2	3287
+c1c(F)c2c(OCO2)cc1F	3287
+c1cc(ccc1OC)SCCl	5395
+C1CC(CCC1)Cn2c3cc(c(F)cc3nc2-c4ccc(cc4OCc5c(cccc5)Cl)Cl)F	22
+CC(C)(C)c1nc2c(c(N3CC4(COC4)C3)n1)ccn2Cc5c(cccc5)Cl	1836
+CC(C)C(NC1Cc2c(CC1)n(c3ccc(cc23)OC)Cc4c(cccc4)Cl)=O	190
+c1c(C(=O)OC)cc2c(c(C(=O)CC)c(CC)n2Cc3ccccc3Cl)c1	190
+C(OP(OCC)(=O)Cc1ccccc1Cl)C	590
+O=S(=O)(C)N1CC(N(Cc2ccccc2Cl)c3ccc(C#N)c(Cl)c3)CC1	507
+c1c(C(=O)OC)cc2c(c1)c(c(n2Cc3ccccc3Cl)CCC)C(C)=O	190
+c12cc(n(Cc3ccccc3Cl)c1cc(C(=O)OC)cc2)CCC	190
+C1CN(CCN1Cc2c(ccc([N+](=O)[O-])c2)F)C	131
+CN(C)Cc1c(F)ccc([N+]([O-])=O)c1	131
+c1(COC)c(F)ccc([N+]([O-])=O)c1	149
+C(c1c(OC)c(Br)cc(c1)Br)C#N	163
+c1cc(ccc1)CN2Cc3c(C#N)cccc3C2	3203
+C(Br)c1cc(CO)c(cc1F)Br	49
+c1cc(ccc1-c2noc(c2)C(N)=O)OCc3cc(c(cc3)C)C	22
+CC(C)(C)c1cc2c(c(F)c1)C(N(N=C2)Cc3c(F)cc(c(CO)c3)Br)=O	3288
+C(C#N)c1cc(c(Cl)cc1F)OC	163
+c1(cc(c(OC)cc1F)Br)CSC	639
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(Br)cc(c3OC)C)=O	149
+O=S(=O)(Cc1c(F)ccc(F)c1)c2ccc(cc2)Cl	5396
+CC(C)(C)OC(C1=C(c2ccc(cc2)C)c3c(n(cc3)Cc4ccc5c(non5)c4)C(N1C)=O)C(OC)=O	3289
+C(=O)(OCC)c1sc(N2CCN(C2=O)Cc3ccc4nonc4c3)nc1C	1083
+[N-]=[N+]=NCc1ccc(Cl)c(Oc2c(c(F)cc(c2)Br)Cl)c1F	545
+[N-]=[N+]=NCc1ccc(Cl)c(Oc2cc(cc(Br)c2)C#N)c1F	545
+O(CC)P(OCC)(Cc1c([N+](=O)[O-])cc(OC)cc1)=O	590
+O=Cc1ccc(OCC)cc1[N+]([O-])=O	1837
+c1c(CCNCc2ccc3c(c2)nc(NC(C)=O)cc3)cc(cc1)F	370
+CNCc1ccc2cccc(Br)c2n1	3290
+O=Cc1c(c(C)ccc1)Cl	1483
+C1COCCN1c2cc3c(nc(C)n3Cc4cccc(C)c4F)c(C(=O)OC)c2	505
+C1CN(CCO1)c2cc(c3nc(n(Cc4cccc(c4Cl)Cl)c3c2)C)Br	505
+C1CN(CCO1)c2nc3c(c(c2)C(=O)OC)nc(n3Cc4c(c(Cl)ccc4)Cl)C	1484
+FC(F)(F)c1nc2c(C(OC)=O)cc(cc2n1Cc3c(c(Cl)ccc3)Cl)N4CCOCC4	505
+O=Cc1c(F)c(Cl)ccc1	5397
+Clc1ccc(c(C=O)c1)OCc2cccc(F)c2F	22
+C(n1c2c(c(I)n1)cnc(C)n2)c3cccc(F)c3F	1485
+c1(cc(nc(SCc2cccc([N+]([O-])=O)c2Cl)n1)O)C	3291
+O(CC)C(C(Cc1cccc([N+]([O-])=O)c1F)C(C)=O)=O	1251
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cccc3C(=O)COc23	131
+CC(C)(C)OC(=O)NC(C(NC1C(N(c2c(cccc2N3CCCC3=O)C1)Cc4ccccn4)=O)=O)CC(C)C	5398
+CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(c2CC1)OCc3ncccc3	951
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCc3nc(oc3C)-c4ccc(cc4)OCc5ncccc5	951
+c1cccc2C(=O)Nc3cccnc3N(C(=O)CCC#C)c12	3292
+C(O)C(NC(=O)c1cc(ccc1)C#CCCCC(=O)O)C	121
+c1cc(ccc1)Cn2cc(CCCC(O)=O)nn2	642
+C(CCCC(=O)O)CCC1C(C(O)C#CCCCCC)CCC1OC2CCCCO2	5399
+COc1ccc(C(=O)OC)c(C#CCCCCC)c1	1247
+C(OC)CCCCC#C	76
+C(OC(OCC)C#CCCCCCl)C	5400
+C(O)CCCC#Cc1cc2c(nc1)cccc2	2379
+c1(ncn(n1)-c2ccc(cc2OC)C#CCCCCO)C	197
+c1cc(ccc1C)S(=O)(=O)OCCCCC#C	36
+C1C2=C(CCC1)C(=O)N(C2=O)c3c(cc(c(c3)N4C(NC(=O)N(C4=O)CC#C)=O)Cl)F	2380
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)C1)CC#C	19
+o1cccc1C(CCC#CCCC(OC)=O)=O	5401
+c1cc(Cl)c(Br)cc1CCCCO	213
+c1cc(cc(C)c1OC)CCCCO	213
+O=S(=O)(OCCC#Cc1nc(ccc1)CF)C	7
+c1c(OC(C)=O)cc(cc1)CCCCO	213
+Clc1cccc(Cl)c1COc2ccc3n(CCCC#N)c(cc3c2)C(OCC)=O	339
+c1c(c(ccc1)N(C(c2cc(c(cc2)Cl)Br)=O)C)OCCCC#N	8
+c1cc2c(csc2cc1F)N3CCCN(CCCC#N)CC3	28
+c1ccccc1C2=CCN(CC2)CCCC#N	1822
+c1ccccc1CN(Cc2ccccc2)CCCC#N	28
+c1cc(ccc1OCCCC#N)CCCCNC(=O)OCc2ccccc2	8
+C(CC=O)CC(=CCc1c(OC)c(c(c(OC)c1C)C)C)C	3293
+Nc1ccnc(SCCCC#N)n1	3294
+C(CC#N)c1c(scc1)CCCO	3295
+C1CC1(C#N)c2c(F)cc3c(OCO3)c2	1486
+COc1cc2c(cc1)nc(Cl)cc2CCN	51
+c1c2c(cccc2)c(c(C)c1)CC(O)=O	3296
+C(N)(=O)Cc1cc(N)c(cc1)N	645
+COc1ccc(Br)c(c1)CC(=O)O	270
+c1(CC(OC)=O)ccc(C)c(C)c1	1838
+c1(F)c(F)c(c(cc1)CC(=O)O)C	508
+O=S(=O)(C)Nc1ccc(c(C)c1F)CC#N	80
+C(C#N)c1ccc(N)c(F)c1C	0
+c1cc(ccc1S(=O)(=O)N2CCC(CC2)(c3c(C)cc(cc3)F)C#N)C	3297
+c1c(c(c(Cl)cc1)C)CC(=O)O	479
+O=S(=O)(C)Nc1c(c(CC#N)ccc1)C	80
+c1(OCCOC)cccc(C(C(C)=O)C#N)c1OC	1260
+C(C#N)c1cccc(N)c1C	0
+c1c(c(C)c([N+]([O-])=O)cc1)CC(=O)O	508
+c1c(c(c(cc1)OC)F)CC(=O)O	479
+C1CCCC1Oc2cc(C3=NOC(CC(OC)=O)(C3)C(=O)OC)ccc2OC	5402
+C1(N(N=C(C#N)C(N1)=O)c2c3c(OC(C3)C)c(Cl)cc2)=O	3298
+c1(c(C(CCC2CCN(CCSc3c(ccc(F)c3)F)CC2CC(=O)OC)N)c4cc(ccc4nc1)OC)F	840
+CC(C)(NC(C(C)Br)=O)C(=O)O	5403
+O=S(=O)(c1ccccc1[N+]([O-])=O)N2c3ccc(C(C(C)Br)=O)cc3CC2	1792
+c1(ccccc1C)C(N2CCc3cc(C(C(C)Br)=O)ccc23)=O	1792
+c1c(C(=O)C)cc(NC(C(Br)C)=O)cc1	829
+c1c(c2n(cc1C(=O)N)c(C)c(n2)C)N	5404
+c1(Cl)nn2c(c(nc2c(OC)c1)C)C	5405
+c1(c(n2c(n1)ccc(I)n2)C)C	5406
+n1cc(ccc1)-c2c(C)nc(-c3ccc(OC)c(OC)c3)n2O	5407
+CC(C)(C)OC(=O)N1CC(N2c3nc(ccc3CC2C1)C(CCCCl)(C)O)C	938
+CN(C)CCCC(=O)C	53
+C(c1cccc(SCC(=O)C)c1)C(=O)O	1839
+C(c1cccc(c1)SCC(=O)C)(=O)O	1839
+C(CN1CCC2=C(C(Oc3cc(OC)ccc23)=O)C1)(=O)C	3299
+CC(C)(C)NS(=O)(=O)c1cc(cn2cc(nc12)C)Br	1261
+C(C)C(CC)c1cc(C)nn2c1nc(C)c2	3300
+C(Oc1cccc(C)c1)C(=O)C	1084
+c1(SCC(=O)C)ccc(F)c(Cl)c1	1839
+FC(F)(F)c1cccn2c1nc(C)c2	1261
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCC(=O)C)CC2	1084
+Fc1cccc(F)c1COc2c3nc(cn3ccc2)C	1261
+C(=O)(C)c1oc2c(cc(cc2)F)c1	5408
+c1c(nc(s1)-c2c3c(nc(N)n2)n(Cc4c(F)cccc4)cn3)C	2381
+n12c(c(Cl)ncc1)nc(C)c2	5409
+c1(cccc(c1)SCC(=O)C)Br	1839
+Cc1cc(ccc1-c2scc(C)n2)C(=O)OC	3301
+c12c(cc(C)c(Cl)c1)OC(C3=C2CCN(CC(=O)C)C3)=O	3299
+c1c(Cl)c(OCc2cccc(F)c2)ccc1Nc3ncnc4cccc(OCC(=O)C)c34	1084
+ClC(Cl)=CCOc1cc(Cl)c(c(Cl)c1)OCC(C)=O	1084
+c1c(cc2C3(c4cc(cnc4Oc2c1)OCC(=O)C)N=C(N)OC3)Br	5410
+c1cc(ccc1)Oc2cc(Cl)cnc2Nc3scc(C)n3	5411
+c1cc(ccc1OCC(=O)C)CO	1084
+c1cc(ccc1OCC(=O)C)F	1084
+c1cc(ccc1OCC(C)=O)OCC=C(C)C	1084
+c1c(nn2cc(C)nc2c1)Cl	3300
+c1(ccccc1NC(C)Cc2onc(C)c2)Br	231
+c1ccccc1-c2c3n(cccc3)cc2Cc4c(F)cccc4Cl	5412
+c1cc(ccc1OCCCCl)-c2nc(CC(=O)OC)co2	3302
+c1cc(ccc1-c2occ(CC(=O)OC)n2)O	3302
+[N-]=[N+]=NCCOCC(=O)CC(OCC)=O	3303
+C1CC1c2occ(n2)CC(=O)OCC	5413
+C1CCCCC1n2ncc(c2-c3ccc(cc3)F)-c4scc(CC(=O)OCC)n4	3304
+C1CN(CCC1)CC(CC(OCC)=O)=O	2382
+CC(C)(C)SCC(=O)CC(OCC)=O	5414
+CC(C)(C)n1c(Br)c(cn1)-c2nc(CC(=O)OCC)cs2	3304
+ClC(Cl)(Cl)c1nc(cc(O)n1)CCl	3305
+n1c(-c2ccco2)cc3N=C(CC(n13)=O)CCl	1085
+n1n2c(sc1C)nc(CC(OCC)=O)c2	5415
+C(Cl)C1=CC(Oc2c1ccc(c2Cl)O)=O	3306
+CCOC(=O)C(C1=C(SC2=NC(CCl)=CC(N12)=O)C)C	5416
+C(Cl)C1=CC(Oc2cc(ccc12)O)=O	3306
+C1=CC=C(C)N2C(C=C(CCl)N=C12)=O	5417
+FC=1C=CC2=NC(=CC(=O)N2C=1)CCl	5418
+c1cc(ccc1)-c2c3c(ccc(Cl)c3)nc(CCl)c2C(OCC)=O	5419
+c1ccccc1CCCOC(=O)CC(CCl)=O	3307
+c1c(OC)c(c(cc1C)OC)OC(=O)C(C(C)OC)Br	385
+c1c(ccc2N(C(CCc12)=O)C)C(C(Br)C)=O	94
+Cc1cccc(C)c1NC(CCBr)=O	26
+c1(c(NC(=O)CCBr)ccc(c1)F)[N+]([O-])=O	26
+c1cc(ccc1NC(=O)CCBr)N	26
+C1CC(CCN1C(=O)CCC(Br)C)C	58
+c1cc(ccc1)CC2COC(=O)N2C(=O)CCC=C	1840
+C1CC(CCN1c2snc(C(C)C)n2)NC(CCCBr)=O	68
+C1CC(CNC(CCCBr)=O)Cc2[nH]c3c(c12)c(ccc3C(=O)N)Br	68
+c1cc(ccc1O)NC(CCCBr)=O	26
+NC(=O)c1ccccc1NC(=O)CCCBr	26
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(=O)CCCCl	3308
+C1CN(CCN1Cc2ccccc2)CCC3(CCCC3)CNC(CCCCl)=O	68
+C1CN(CCN1c2c(OC)cncn2)CCCc3c4cc(NC(CCCCl)=O)ccc4[nH]c3	26
+CC(C)(C)OC(CCCCl)=O	5420
+CC(C)(C)OC(=O)NC(C(=O)NC1Cc2c(NC1=O)c(NC(CCCCl)=O)ccc2)CC(C)C	26
+c1(c(ccc(OC)c1Cl)C(=O)CCCCl)Cl	94
+C(C(=O)N(OC)C)CCCl	1080
+c1(c(c(C(=O)OC)cc([N+]([O-])=O)c1)F)NC(CCCCl)=O	26
+[nH]1cc(C(CCCCl)=O)c2cc(ccc12)F	432
+c1c2NC(CCc2cc(C(CCCCl)=O)c1)=O	94
+c1cc(ccc1-c2c(c3cc(Br)c(N4CCCC4=O)cc3o2)C(OCC)=O)F	5421
+c1cc(ccc1C(OC)=O)-c2c(cc(NC(=O)CCCCl)cc2)C	26
+c1cc(ccc1C(OC)=O)-c2c(nc(NC(CCCCl)=O)cc2)C	195
+c1ccccc1CN2CCC(CC2)N(C(C)C)C(=O)CCCCl	58
+CCN(CC)CC(=O)Nc1ccccc1S(=O)(=O)Nc2ccc3c(c2C(O)=O)CCCC3	5422
+c1c(CCNC(CCl)=O)ccc2OCOc12	68
+OCC(CO)(NC(=O)CCl)c1cccc(Br)c1	68
+C1(=O)C(C2N1C(=C(CS2)COC(C)=O)C(=O)OC)NC(CCl)=O	952
+C(Cl)C(=O)N1CC(CC1)F	58
+c1c2NC(Cc2cc(c1)C(CCl)=O)=O	94
+C1CC(C)N(C1C(=O)N)C(=O)CCl	3309
+C12C(CN(C1)C(CCl)=O)CCC2	58
+CC1CCC(C)N1C(CCl)=O	58
+C1CC(CCC1)Cn2c3c(OC)cccc3c(C(=O)CCl)c2	432
+C1CC(CCC1NC(CCl)=O)Nc2nn3c(ncc3-c4cccc(Cl)c4)cc2	68
+C1CC(CCC1NC(CCl)=O)O	68
+C1CN(CCC1COc2cc3c(c(ncn3)Oc4cc5c(c[nH]c5cc4)C)cc2OC)C(=O)CCl	58
+C1COCCC1Cn2c3c4c(ncc3nc2CCl)cccc4	546
+C1CC1(C(OC)=O)c2ccc(cc2)C(CCl)=O	94
+C1CC1C(CO)(NC(CCl)=O)c2cc(Br)ccc2F	68
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(cc5)CN6CCN(CC6)C(=O)CCl)s4)ncc3	58
+C1CC1c2sc(nn2)N3C(CCN(C)C3=O)OC(=O)CCl	204
+C1CCCC1n2c(NC(CCl)=O)c(nn2)C(N)=O	1841
+C1CN(CCN1C)CC(=O)Nc2sc3c(C#N)c(Oc4cc(ccc4)NC(=O)c5cc(C(C)(C)C#N)ccc5)ccc3n2	5423
+C1CN(CCO1)C(COc2cc(ccc2)NC(=O)CCl)=O	26
+CC(C)(C)OC(=O)NC1CN(C(CN2CCC(CC2)O)=O)CC1	5424
+C1CN(CCN1c2nc(N3CCC(CC3)C)c(cc2)[N+]([O-])=O)C(=O)CCl	58
+C1COC(O1)(C)C(O)CN(C(CCl)=O)Cc2ccccc2	58
+C1COCCN1c2cc(-c3c4c(ccc3)Sc5c(S4)ccc(NC(CCl)=O)c5)nc(O)c2	26
+O(c1cc(C23C(CC(CC2)NC(=O)Nc4ccc(F)c(F)c4)N(C(=O)CCl)CC3)ccc1OC)C	58
+C1c2c(CC1Nc3ncc4c(n3)CCN(C(=O)CCl)C4)cccc2	58
+CC(C)(C)NC(CCl)=O	68
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(NC(=O)CCl)c(cc2)Cl	26
+CC(C)(C)OC(N1CCN(CC1)C(CCl)=O)=O	58
+CC(C)(C)OC(=O)NCCc1ccc(cc1)NC(=O)CCl	26
+CC(C)(C)OC(=O)Nc1ncc(cn1)-c2nc3c(ncc(-c4cccc(NC(=O)CCl)c4)c3)c(N5CCOCC5)n2	26
+CC(C)(C)OC(N1CCC(CC1)(CN(C(CCl)=O)CC)O)=O	58
+CC(C)(C)OC(N1CCC(CC1)C(=O)NNC(=O)CCl)=O	5425
+CC(C)(C)OC(N1CCC(CC1)N(C2CCCCC2O)C(=O)CCl)=O	58
+CC(C)(C)OC(=O)NCCN(C1Cc2ccc(Br)cc2C1)C(CCl)=O	58
+CC(C)(C)[Si](C)(C)OC1CN(c2ccc3c(ccc(c3NC(=O)CCl)Cl)n2)CC1	26
+CC(C)(C)[Si](C)(C)OCC(C)n1c(nc2c1c(c(nc2Cl)C)C)CCl	546
+CC(C)(C)c1cc(c(c(NC(CCl)=O)c1)OC)S(=O)(=O)NC(C)(C)C	26
+CC(C)(C)c1c2OCC(=O)Nc2cc(c1)C(=O)C	646
+CC(C)(C)c1cccc(CN2C(=O)OC3C(CS(=O)(=O)CC23)Cc4cc(c(NC(=O)CCl)c(CC)c4)F)c1	26
+CC(C)Nc1cc(ncc1-c2nnc(CCl)o2)Cl	5426
+CC(C)[Si](C(C)C)(C(C)C)n1c2c(c(N(c3ccccc3)C(=O)CCl)ccc2)cc1	5427
+CC(C)c1cccc(C(C)C)c1NC(CCl)=O	26
+CC1(C)CN(c2cc(Cc3ccc(cc3)F)c(cc12)C#N)C(CCl)=O	192
+C[Si](C)(C)CCOCn1ccc(-c2nc3ccc(c(NC(=O)CCl)c3cc2)Cl)n1	26
+Cc1cc(cc(C)c1C(=O)CCl)NC(C)=O	94
+Cc1cc(cc(C)c1-n2c3nc(C)cc(c3nc2C)NC(CCl)=O)C	308
+c1(C)cc(cc(C)c1-n2cnc3c(cc(nc23)C)NC(CCl)=O)C	308
+Cc1cccc(C)c1NC(=O)CCl	26
+Cc1nc(nc(O)c1C)-c2ccc(NC(CCl)=O)cn2	308
+Clc1cc2C(=O)N(c3c(Cl)cccc3)C(=Nc2cc1)CCl	1842
+Clc1cc(cc(Cl)c1N2C=3C(=C(N2)C(C)C)C(=O)N=C(Cc4ccc(cc4)NC(=O)CCl)N=3)Cl	26
+c1(Cl)cc2C(=O)COc2cc1O	5428
+FC(F)(F)CN(CC)C(CCl)=O	58
+FC(F)(F)Oc1c(NC(CCl)=O)cc(cc1)C(=O)Nc2ccc(-c3ccccc3F)nc2	26
+FC(F)(F)c1cc(NC(CCl)=O)ccc1Cl	26
+FC(F)(F)c1c2N=C(N(c3c(Cl)cccc3)C(=O)c2ccc1)CCl	1842
+FC(F)(F)c1cc(C(Nc2cccc(c2)-c3n4c(cc(n4)-c5ccncc5)ncc3)=O)cc(NC(CCl)=O)c1	26
+FC(F)(F)c1cccc(N(C(CCl)=O)C)c1	192
+FC(F)(F)c1ccc(c(CN(C(=O)CCl)CC)c1)-c2cc(ccc2OC)CC(OCC)=O	58
+FC(F)(F)c1ccc(cc1)-c2cc(CO)c(cc2)NC(=O)CCl	26
+FC(F)(F)c1ccccc1-c2nc(c3cc(NC(=O)CCl)ccc3c2)O	26
+c1c(F)cc(cc1CC(NC(=O)CCl)c2ncccc2-c3cc(c(cc3)F)C(N)=O)F	68
+C(Cl)C(NC(CO)C)=O	68
+c1c(cc(c(Nc2c(c3n(ccn3)cc2C(=O)NNC(CCl)=O)Cl)c1)F)Br	1086
+c1c(cncc1C(=O)NNC(CCl)=O)Br	1086
+c1(C)c(cc(C#N)cc1)NC(CCl)=O	26
+C1(=O)Nc2c(F)c(ccc2OC1)CCCl	646
+C(C(Cc1c(c(NC(=O)CCl)c(cc1I)I)I)C(O)=O)C	26
+O1c2ccncc2NC(C1)=O	5429
+O1c2c(NC(C1)=O)ccnc2	5430
+C1CN(CC(C1NC(CCl)=O)O)c2c(c(N)cc(C#N)c2)Cl	68
+c1([N+]([O-])=O)ccc2N=C(OC(=O)c2c1)CCl	3310
+C1(=O)Nc2c(c(F)ccc2OC1)F	646
+c1([N+]([O-])=O)ccc(Br)c(NC(CCl)=O)c1	26
+N(C)c1ccc(Oc2ccnc(c2)NC(=O)CCl)cc1[N+]([O-])=O	195
+c1c2NC(=O)COc2c(c(F)c1)F	646
+C1(Nc2cccc(c2OC1)C(=O)C)=O	646
+C1(Nc2cccc(C(=O)OC)c2OC1)=O	646
+c1c(c(c(F)cc1)C)NC(CCl)=O	26
+O1c2c(NC(C1)=O)cccn2	5431
+O(C)c1cc2CCC(c3c(cc(cc3)OC)N(CC)C(CCl)=O)Cc2cc1	192
+c1c(OC)c(ccc1)N2C(=Nc3cccc(Cl)c3C2=O)CCl	1842
+c1cc(c(cc1CN2CCOC(C2)CNC(CCl)=O)Cl)Cl	68
+O=C(C(=NOC)c1csc(NC(CCl)=O)n1)OC	290
+c1cc(ccc1CCC(C(=O)OCC)(C(=O)OCC)NC(C)=O)Sc2ccc(cc2)C(=O)CCl	94
+O=Cc1c(c(C(CCl)=O)c(C)[nH]1)C	432
+O=S(=O)(c1cc(NC(=O)CCl)cc([N+](=O)[O-])c1)C	26
+O=S(=O)(c1c(cc(NC(=O)CCl)cc1)Cl)N	26
+O=S(=O)(c1ccc(c(Cl)c1)NC(=O)CCl)N	26
+O=S(=O)(c1cc(c(cc1)NC(CCl)=O)C)N	26
+c1cc(ccc1S(=O)(=O)C(F)F)-c2ccc(cc2)C(CCl)=O	94
+O=S(=O)(c1ccccc1)c2ccc3NC(=O)COc3c2	646
+OC(CO)CNC(CCl)=O	68
+c1c(c(ccc1C(CCl)=O)O)OC	94
+C1(=O)Nc2c(OC1)cccc2O	646
+C(Cl)C(c1c2cccnc2[nH]c1)=O	3311
+C1(Nc2c(c(c(c(Cl)c2)CC)Cl)OC1)=O	646
+O(C)c1cc2N=C(CCl)N(c3c(cccc3)Cl)C(=O)c2cc1OC	1842
+c1(OC)cc(cc(Br)c1)NC(CCl)=O	26
+C1CN(c2cc([N+]([O-])=O)ccc2S1)C(=O)CCl	192
+c1(c(sc(n1)NC(CCl)=O)C(=O)c2ccccn2)-c3occc3	290
+c1(c(C=2c3c(ccc(F)c3)-n4c(CN=2)nnc4CCl)cccc1)F	5432
+c1cc([N+]([O-])=O)cc2OCC(Nc12)=O	646
+c1cc(C)cc2OCC(Nc12)=O	646
+c12c(-c3c(c4c(cccc4)c(n3)O)C1)ccc(NC(=O)CCl)c2	26
+c1(C(CCl)=O)c2cc(Br)cnc2[nH]c1C	3311
+c12c(cccc1)CN(C2)C(=O)Nc3ccc(cc3)-c4noc(CCl)n4	2383
+c1c2c(C(NC(CCl)=O)C(O)C2)ccc1	68
+c12c(cccc1)nc(c3c2cccc3)CNC(=O)CCl	68
+c1(cccc(C)c1N(C(C)C(OC)=O)C(=O)CCl)C	5433
+c1c(F)cc(cc1C(NC(=O)CCl)CO)F	68
+c1c(cc(C(C)O)c(NC(CCl)=O)c1)Br	26
+ClCC(NC1c2c(CC1)cccc2)=O	68
+C(Cl)C(=O)N1CCCc2ccccc12	192
+C1N(c2ccc([N+]([O-])=O)cc2C1)C(=O)CCl	192
+c1cc(c(cc1Cn2c3cccc(NC(=O)CCl)c3cc2C(=O)OCC)Cl)Cl	26
+C1CN(C(=O)CCl)c2ccc(cc2S1)[N+]([O-])=O	192
+c1ccccc1C(CO)NC(=O)CCl	68
+c1cc(ccc1)C(C)(c2cc(Br)ccc2NC(CCl)=O)O	26
+c1cc(ccc1)C(c2c([nH]cc2NC(=O)CCl)C)=O	308
+c1ccccc1CN(C(CC)C(O)C)C(=O)CCl	58
+c1ccccc1NC(=O)CCl	26
+C(c1ccc(c(c1)-c2cc(C(CCl)=O)c(OC)cc2)OC)C	94
+c1ccccc1C(C)N2C(COC(c3ccc(cc3)Br)C2)=O	2384
+c1cc(ccc1C(C)C)C2=NC(=O)N(c3ccc(cc23)OCC#C)Cc4cc(NC(CCl)=O)ccc4	26
+c1cc(ccc1C)C(=O)NNC(CCl)=O	1086
+c1cc(ccc1OC(CCl)=O)C=C	385
+c1cc(ccc1Cl)-c2sc(c(C(=O)CCl)c2)C	1487
+C1CN(CCN1C(=O)CCl)c2ccc(cc2)F	58
+c1cc(ccc1C#N)NC(=O)CCl	26
+CC1(C)CC2(CC(C1)N(C(c3ccc(cc3)NC(=O)CCl)=O)C2)C	26
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3c4ccccc4C(NC(=O)CCl)CCC3	68
+c1cc(ccc1CN2C(C)COCC2=O)OC	2384
+c1cc(ccc1CC(N2CC(c3cccc(n3)Cl)OCC2=O)C)OCCO	2384
+c1cc(ccc1S(=O)(=O)n2ncc3c(-c4oc(CCl)nn4)cc(cc23)Br)C	5434
+c1cc(ccc1Sc2ccc(cc2)CCCC)C(=O)CCl	94
+c1c(cnc(c1)NC(CCl)=O)F	195
+c1ccc(cc1C#N)C(=O)NNC(=O)CCl	1086
+c1cc(ccc1)C(c2ccccc2)(CCN(C(CCl)=O)Cc3ccccc3)O	58
+c1cc(ccc1)C2c3ccccc3N(C2)C(=O)CCl	192
+c1ccccc1C=2c3c4c(c(OCC)cc3CC(C)(CNC(=O)CCl)N=2)OC(C)(C)C4	68
+c1ccccc1CCNC(=O)CCl	68
+c1ccccc1CN2CCC(CC2)NC(CCl)=O	68
+c1cc(ccc1)C(N(Cc2ccccc2)C(=O)CCl)C(C)O	58
+c1ccccc1COC(=O)C2OCCN(C2)C(CCl)=O	58
+c1ccccc1COc2cc(ccc2OCc3ccccc3)NC(=O)CCl	26
+c1ccccc1COc2cccc(c2)-c3ccc(Cl)cc3NC(CCl)=O	26
+c1cc(ccc1C(CCl)=O)Oc2ccc(cc2)CCCC	94
+O=S(=O)(c1ccccc1)c2ccc3c(NC(=O)CO3)c2	646
+c1ccccc1S(=O)(=O)n2c3cc(F)ccc3c(-c4cc(O)c(cc4)NC(CCl)=O)c2	26
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)-c4noc(CCl)n4	5435
+n1cc(-c2cc(NC(=O)CCl)ccc2)nc3ccccc13	26
+C(C1=C(N2C(=O)C(NC(Cc3c(cccc3)CN=[N+]=[N-])=O)C2SC1)C(O)=O)(Sc4nnn[nH]4)CC(=O)O	952
+C1CC23CCCCC2C(Cc4ccc(C(=O)C)cc34)N1C(Cc5occc5)=O	58
+CC1(C)CCOc2cc(C(CCCCC)=O)ccc12	586
+c1cc(ccc1)CC(CCCCC)=O	5436
+C(C(=O)C)c1cc(C)no1	591
+C1CN(CCN1CCCO)CC(NCCCCCCC)=O	1228
+C(C(=O)Cl)(C(OC)C)Br	141
+N1(C(C(=O)O)C)C=C(C(=CC1=O)c2c(ccc(Cl)c2)C#N)OCC	5437
+N#CC1=CN(C(C=C1Br)=O)C(C(=O)O)C	5438
+O1COc2c(cccc12)C(CO)CCCCC	21
+C1CC(CCC1)N2CC(CC2=O)C(=O)O	5439
+c1(N2C(CC(C(=O)O)C2)=O)ccc(c(C)c1)O	5440
+c1cc(ccc1N2C(=O)CC(C(O)=O)C2)C	1843
+c1cc(ccc1N2C(CC(C2)C(O)=O)=O)C3C(C3)C(=O)NCCCCCCCCCC	1843
+c1cc(ccc1N2CC(C(O)=O)CC2=O)F	1843
+c1ccccc1COc2ccc(cc2)N3CC(C(O)=O)CC3=O	1843
+C(C(CCC(Cl)=O)OC(C)=O)(=O)OCC=C	141
+C(O)CCC1CCOC1	647
+c1(cc2OCCc2cc1)C(NC(CCC3CCc4c(C3)nc5c(CCCN5)c4)=O)CC(OCC)=O	9
+[nH]1c2C(NC(CCC(OC)=O)Cc2c3cc(OC)ccc13)=O	5441
+FC(F)(F)c1c(c(F)ccc1)CN2C(C)=C(C(N(C2=O)CC(NCCCC(=O)O)c3ccccc3)=O)c4ccccc4Cl	110
+c1ccccc1CNC(c2sc(nc2C)NC(=O)CCCBr)=O	373
+c1(cc2c3c(C(N(C(=O)c3cc(c2)C(O)=O)CCCC(O)=O)=O)c1)[N+]([O-])=O	5442
+c12c3c(cc(c1)[N+]([O-])=O)C(N(C(c3ccc2)=O)CCCC(=O)O)=O	5443
+C(OCCOCC=CCBr)COCCOCCC(=O)OC	167
+c1(c2c(c(C)cc1)C(CCO2)=O)F	214
+c1(c(Cl)ccc2C(CCOc12)=O)Cl	214
+Clc1ccc2ccc(COc3cc4c(OCc5c(C4SCCC(=O)O)cccc5)cc3)nc2c1	3312
+c12c(nc(C=Cc3cc4c(OCc5c(C4SCCC(=O)O)cccc5)cc3)cc1)cc(Cl)c(F)c2	3312
+CN(C)CCNC(CCl)=O	9
+FC(F)(F)c1csc(-c2c(-c3cncc(C(=O)NNC(CCl)=O)c3)cnc(NC(=O)NCC)c2)n1	5444
+O(CC(=O)O)CCc1cccc(F)c1	1844
+c1c(Cl)c(c(cc1)Cl)CCOCC(=O)O	1844
+c1(n(c2cccc(F)c2n1)C)CCl	953
+c12ccccc1c(ccc2)CCOCC(=O)O	1844
+c12c(cccc1)ccc(c2)OCC(O)=O	1845
+c1cc(ccc1S(=O)(=O)C)C	5445
+c1cc(ccc1Cn2c3c(nc2CCl)cccc3)Cl	953
+c1ccccc1CCOCC(=O)O	1844
+OC(CN(CC(O)=O)CCNCC(OCC)=O)=O	1459
+C1CN(CCC1)c2nc(C=C3SC(=S)N(CC(=O)O)C3=O)cs2	3313
+s1c(nc(C=C2C(N(CC(O)=O)C(=S)S2)=O)c1)Nc3c(C)cccc3	3313
+C(N1C(C(=C(O)C=C1C)[N+](=O)[O-])=O)C(=O)OC	27
+C1C(C(OC)=O)N(C(=O)CN2CCCC2=O)CC1	478
+C(OC(CNC(CN1CCCC1=O)=O)=O)C	3314
+O=C(N(OC)C)Cc1c(F)cccc1Cl	164
+C(C(=O)N(OC)C)c1cc(C)no1	164
+c1cc(ccc1-c2cc(ccc2C)C(=O)NC3CC3)-c4nnc(CNC(Cc5cc(no5)C)=O)o4	9
+CCOC(Cc1ccco1)=O	939
+CCOC(Cc1ccsc1)=O	27
+C(C(=O)OC)c1n[nH]c2c1cccn2	27
+c1(c(c(ccc1)NC(Cc2c(Cl)cccn2)=O)C)Br	33
+CC(C)(C)NC(Cn1c(c(C)nc1)CN=[N+]=[N-])=O	9
+C1C(CN1C(=O)CCl)OC	5446
+c1nc(c2n1-c3cccc(Cl)c3C(N4C2CCC4)=O)-c5noc(CCl)n5	3315
+c1nc(c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C)-c4noc(CCl)n4	3315
+c1c(C)c(c(cc1)C)NC(C(OC)=O)C	3316
+Clc1cc(OC(C)C(OC)=O)c(cc1)C=O	289
+FC(F)(F)C1=CC(=O)N(c2cc(Oc3ccc(cc3)OC(C(=O)OC)C)c(cc2F)Cl)C(=O)N1C	289
+FC(F)N1C(=NN(C1=O)c2c(Cl)cc(c(OC(C)C(=O)OC)c2)C)C	289
+c1(C=O)cccc(OC(C)C(OC)=O)c1	289
+c1cc(ccc1C=O)OC(C)C(=O)OC	289
+c1ccccc1COc2ccc3c(ccn3C(C(OC)=O)C)c2	3317
+C(C(=O)OC)(C)c1ccc2Sc3ccc(N)cc3CC(=O)c2c1	0
+C1(Cc2cc(N)ccc2Sc3ccc(cc13)C(C)C(O)=O)=O	4
+c1ccccc1CC(C(NC(CCCc2cnc[nH]2)C(OC)=O)=O)NC(CCc3ccccc3)=O	188
+C1COC(O1)(c2ccc(CC(=O)NC(CO)C(OC)=O)s2)C	188
+C1COC(O1)(c2cc(ccc2)CC(NC(CO)C(OC)=O)=O)C	188
+O=S(=O)(NC(CO)C(=O)OC)c1ccc(cc1)Cl	592
+c1ccccc1COC(NC(C(OC)=O)CO)=O	544
+c1cc(ccc1S(=O)(=O)NC(CO)C(=O)OC)OC	592
+c1c2C(CC(=O)OC)c3ccccc3C(N(C)c2cc(OCCCCNc4[n+](cccc4)[O-])c1)=O	20
+C1CCC(C1)c2c(OCCCC(=O)OC)ccc(-c3c4c(c(Br)c5ccccc35)sc(C)c4C)c2	8
+CC(C)(C)OC(=O)N1CCN(c2c(c(C)cc3cccnc23)OCCCC(=O)OC)CCC1	8
+c1cc(ccc1-c2c(oc3ncnc(OC4CCCN(C4)CCCC(OC)=O)c23)-c5ccccc5F)OC	28
+n1ccccc1NCCCCC(OC)=O	2376
+c1cc(ccc1F)-c2cc(no2)C(NCCCC(=O)OC)=O	81
+c1ccccc1CN2C(=O)CCC(C2c3c(ccc(F)c3)F)[N+]([O-])=O	5447
+c12N(C(N(C(=O)c1cccc2)CC(OC)=O)=O)CC(=O)Nc3cc(Cl)c(OC)cc3OC	3318
+N(CCNC(c1nc(c(nc1N)N)Cl)=O)CC(NCCN)=O	248
+C1CCCC(n2nc(c3cccnc23)CC(OC)=O)O1	1846
+c1cc(ccc1[N+]([O-])=O)Cn2c3c(c(n2)CC(=O)OC)cccn3	1485
+O(C)c1c(ccc(c1)C=2CC(=O)NN=2)OC	5448
+FC(F)(F)S(=O)(=O)Oc1cc2ccccc2c(CC(OCC)=O)c1	166
+C(C(=O)c1c(-c2cc3ccc(cc3cc2)O)oc4ccccc14)CCC	5
+C(C(=O)c1c(-c2ccc3c(c2)ccc(OCC(=O)O)c3Br)oc4ccccc14)CCC	3
+C(C(=O)c1c(-c2ccc3c(c2)ccc(OCC(=O)OCC)c3Br)oc4ccccc14)CCC	52
+c1cc(ccc1)CC(C(=O)OCC)Oc2c(Br)c3ccc(-c4c(c5c(cccc5)o4)C(=O)CCCC)cc3cc2	3319
+C(C(=O)c1c(ccc(Cl)c1)O)CC(OCC)=O	27
+c1cc(ccc1F)CN2CC(C)N(CC2C)C(COc3ccc(cc3C(CCC(OCC)=O)=O)Cl)=O	648
+C(C(=O)c1cc(NC(C)=O)ccc1O)CC(=O)O	125
+C(C(=O)c1c(ccc(OC)c1)O)CC(OC)=O	27
+C(C(c1c(ccc(OC)c1)OCC2CO2)=O)CC(OC)=O	8
+C(C(=O)c1c(ccc(N)c1)O)CC(=O)O	0
+C(C(=O)c1c(sc2c1cccc2)-c3ccc4c(c3)ccc(OCC(=O)O)c4Br)CCC	3
+C(C(=O)c1cc(NC(C)=O)ccc1O)CC(OC)=O	167
+C(C(c1cc(NC(C)=O)ccc1OCC2CO2)=O)CC(OC)=O	8
+c1ccccc1NC(c2cccc(F)c2)C(OC)=O	5449
+c1(C(=O)OC)c(COC)nc(N)s1	5450
+c1ccccc1-c2nc(c(C)o2)CC(=O)OC	3320
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CC(OC)=O	5451
+C(C)(CCCC(C)CCC)(C=C)O	5452
+c12c(-c3c(cccc3)C1)ccc(CCC(=O)C)c2	1847
+OC(=O)C(C)Cc1c(cccc1)-c2ccccn2	3
+CC(C)(C)[Si](C)(C)OCC(CCCC(C1CCC2C3CC=C4C(C3CCC12C)(CCC(O)C4)C)C)C	19
+Cc1cc2c(OCC(=O)N2CC(C)CI)cc1	343
+O=S(=O)(OCC(C)Cn1c2ccc(cc2cn1)C)C	7
+c1c(cc(CC(C)N)c(C)c1)F	157
+c1c(cc(c(F)c1)CC(C)N)F	157
+CC(C(O)=O)c1ccccc1F	4
+O=Cc1c(O)c(cc(C(C(=O)O)CC(=O)O)c1)-c2cc([N+]([O-])=O)ccc2	4
+CC(C)(C)OC(NC(CC(=O)OCC)Cc1c(F)ccc(F)c1)=O	37
+c1[nH]c2CCCC(c2c1CCC(=O)O)=O	5453
+CC(C)(C)OC(N(C(C#N)CCCC(O)C)C)=O	23
+C(CCCCCCCCCOCC1OC1)OCC(CCCC)CC	649
+C1CN(CCO1)c2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2	79
+C1COCCC1Nc2c(c(C(=O)NCC(CN3Cc4c(CC3)cccc4)O)ccc2)C	231
+C(C(CNC(=O)c1cccc(c1C)N)O)N2CCc3ccccc3C2	0
+C1OC(CCC1)OCC(C)C=O	24
+C(C(Cc1c(c(NC(=O)CNCCNCCN)c(cc1I)I)I)C(O)=O)C	402
+Cc1cc(ccc1)Cc2[nH]nc(N)c2	3321
+C(C)OC(c1cnn(CC(Cl)=O)c1)=O	141
+c1(ccccc1C(Cl)=O)SCC	138
+O=C(C(c1c[nH]c2cc(CC)ccc12)=O)OC	715
+O=C(c1sc(C(NCc2ccc(c(Cl)c2)Cl)=O)cc1)Cl	1488
+C(Oc1cccc(C(Cl)=O)c1)CCF	138
+C(c1ccc(cc1Cl)F)CC(Cl)=O	141
+C1C(CC1CC#N)C(=O)Cl	141
+C1C(CC1C(Cl)=O)N=[N+]=[N-]	141
+C1CC(CCC1)C(C2CCCCC2)CC(Cl)=O	141
+C1COCCC1C(NC(Nc2ncc(cc2)Oc3ccnc(NC(=O)C)c3)=O)=O	1489
+C1CC1C=2Nc3ccccc3C4=NN(C(C=24)=O)c5ccc(cc5)C(Cl)=O	138
+C1CC1NC(=O)NC(c2c(F)c(C)c(I)c(F)c2)=O	5454
+C1CC1c2c(COc3c(cc(cc3)-c4c(C)c(n(C)n4)C(Cl)=O)C)c(N5C(=O)N(N=N5)C)ccc2	954
+C1CC1c2c(C)cc(C)c(CC(=O)Cl)c2	141
+C1CC2(CCC1)N(CC(=O)Cl)C(=O)C(c3ccc(cc3)OC)=N2	141
+C1CC(CCC1)CC(C(=O)Cl)C	141
+C1CCCCC1CCCCC(=O)Cl	141
+C1CCCCC1c2nc(c(C)o2)C(=O)Cl	3322
+C1CCCCN1CCC(Cl)=O	141
+C1CC(CCN1C(OC)=O)CCC(=O)Cl	141
+C1COCCC1CC(=O)Cl	141
+c1ccccc1CC(C)(C)C(Cl)=O	141
+CC(C)(C(=O)Cl)CCCCOCCCCCl	141
+c1cc(ccc1CCCC(=O)Cl)OC(C)(C)C(OCC)=O	141
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2cc3ccc(C(Cl)=O)cc3cc2)cc1)C	138
+CC(C)(C)OC(Nc1nccc(Oc2ccc(nc2)NC(NC(C(C)(C)C)=O)=O)c1)=O	1489
+CC(C)(C)C(NC(Nc1ncc(Oc2ccnc(NC(N3CC(N(C)C)CC3)=O)c2)cc1)=O)=O	1489
+CC(C)(C)C(NC(Nc1ncc(Oc2ccnc(NC(=O)N3CCN(CC3)Cc4ccccc4)c2)cc1)=O)=O	1489
+CC(C)(C)C(=O)Oc1cc2c(CC(CC2)c3ccc(cc3NCCCc4ccc(cc4)CC(Cl)=O)OC)cc1	141
+CC(C)(C)C1CCC(CC1)C(Cl)=O	141
+CC(C)(C)OC(CCSCc1cc(C(=O)Cl)ccc1)=O	138
+CC(C)(C)Oc1c(c(Cl)ccc1)C(Cl)=O	138
+CC(C)(C)[Si](C)(C)OCC1CCn2c(c(c3ccccc23)C(C(=O)OC)=O)C1	715
+CC(C)(C)c1ccc(C2CC2C(Cl)=O)o1	141
+CC(C)(C)c1sc(cc1)C2CC2C(=O)Cl	141
+CC(C)(CCCCCC)C(Cl)=O	141
+CC(C)(c1cccc(C(=O)Cl)c1)C#N	138
+CC(C)=CCCC1=CCC(CC(Cl)=O)CC1	141
+CC(C)n1c2c(ccc(c2)COC)c(c1)C=3C(NC(=O)C=3c4c5c(cccc5)n(c4)C)=O	5455
+CC(C)Oc1c(cc(C(Cl)=O)cc1)C#N	138
+CC(C)Oc1ccc(C(=O)Cl)cc1Cl	138
+c1ccccc1COc2c(C(C)C)cc(cc2)C(=O)Cl	138
+CC(C)c1cccc(C(C)C)c1C(Cl)=O	138
+CC1(C)C(OC(=O)C)CCC2(C1CCC3(C2CCC4C5C(CCC34C)(C(Cl)=O)CCC5C(=C)C)C)C	141
+C1C(CC1(C)C)C(NC(Nc2ccc(cn2)Oc3ncnc(-c4cnn(C)c4)c3)=O)=O	1489
+CC1(C)CC(CC(C)(C)O1)C(Cl)=O	141
+CCC(C)C(C(=O)Cl)F	141
+CCCCCCCCCCCC=CC(=O)Cl	3323
+CCCCCCCCCCCCC(=O)Cl	141
+O=C(C(=O)c1cn(c2c1cc(F)c(Br)c2)C)OCC	715
+O=C(C(=O)c1c2c(Cl)cccc2[nH]c1)OCC	715
+c1cc(ccc1)Cn2c3c(c(C(=O)C(OCC)=O)c2)ccc(c3)-c4cccc(Cl)c4	715
+C1(C(C(=O)Cl)=Cc2c(cccc2)N1C)=O	5456
+FC(F)(F)Oc1ccc(cc1)-c2ccc3c(C(=O)C(=O)OC)cn(c3c2)C	715
+O=S(=O)(c1cc(ccc1Cl)-c2[nH]c3c(cccc3c2C(=O)C(OC)=O)Cl)NC4CCCCC4	715
+O=S(=O)(c1cc(ccc1Cl)-c2c(c3c(cccc3)[nH]2)C(C(=O)OC)=O)Cc4cc(Cl)ccc4	715
+O=C(C(=O)c1c2cccc3c2n(CC3)c1)OC	715
+c1ccccc1COc2cc3c(cc2)c(c[nH]3)C(C(=O)OC)=O	715
+O=S(=O)(Nc1c(Cl)ccc(-c2[nH]c3c(cccc3)c2C(=O)C(=O)OC)c1)c4ccccc4	715
+COc1cc(cc(OC)c1)-c2cccc(C(Cl)=O)c2	138
+c1(C(Cl)=O)ccc(OC)cc1[N+]([O-])=O	138
+COc1cccc2n(CCF)c3c(C(C(Cl)=O)CCC3)c12	141
+c1c(C)c(c(cc1OCC2CN(C)c3ccccc3O2)C)C(=O)Cl	138
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(n(C)n4)C(Cl)=O	954
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(no3)-c4cc(c(cc4)C(Cl)=O)F	138
+C(Cl)(c1c(cc(Cl)c(c1)OCC=C)F)=O	138
+Clc1cc(c(cc1)C(=O)N=C=O)F	1490
+Clc1ccc(c(Cl)c1)CCCC(Cl)=O	141
+C(c1c(C)nc(Cl)nc1)(=O)Cl	3324
+FC(F)(C)c1nn2c(nc(c2)C(Cl)=O)s1	3325
+FC(F)(F)C(=O)NCc1c(cc(c(c1)C(N=C=O)=O)Cl)F	1490
+FC(F)(F)C(=O)NCc1ccc(Cl)c(C(=O)N=C=O)c1	1490
+FC(F)(F)C1(ON=C(c2c3c(c(s2)C(Cl)=O)CCCC3)C1)c4cc(Cl)cc(Cl)c4	1488
+FC(F)(F)C1=C(C(N(C(c2cc(-c3ccc4cc([nH]c4c3)C(=O)Cl)ccc2)=C1)Cc5c(cc(cc5)C)C)=O)C#N	954
+FC(F)(F)C=1N(C)C(=O)N(c2cc(c(Cl)cc2F)C(=O)Cl)C(=O)C=1	138
+FC(F)(F)CCOc1ccc(cc1)-n2c(nc(C(=O)Cl)c2C)-c3ccc(cc3Cl)Cl	3325
+FC(F)(F)c1nn(-c2c(Cl)cccc2)c(c1)C(=O)Cl	954
+FC(F)(F)c1cccc(c1)CC(Cl)=O	141
+FC(F)(F)c1cc(c(nc1)Cl)C(=O)Cl	2371
+FC(F)Oc1n(nc(c1Cl)-c2cc(c(cc2Cl)Cl)C(=O)Cl)C	138
+FC(F)c1nc(c(cc1C(=O)OCC)Cl)Cl	3326
+FC(F)c1c(cc(C#N)c(n1)Cl)C(OCC)=O	3326
+Fc1cc(c(C)cc1F)C(Cl)=O	138
+c1(F)cc(cc(F)c1)CC(=O)Cl	141
+Fc1cc(cc(F)c1C(=O)Cl)F	138
+C(Cl)(c1cccc(I)c1C)=O	138
+n1c(SC)nc2c(c(c(CC)n2Cc3cc(Cl)ccc3)C(=O)C(N)=O)c1OCC(OC)=O	5457
+c1ccc2C(=O)C(N3CCC(C(OC)=O)c1c23)=O	3327
+O=S(=O)(NC1CCCCC1)c2cc(ccc2Cl)-c3c(C(=O)C(=O)NC)c4c([nH]3)cccc4	5458
+O=S(=O)(C=C)c1ccc2c(sc(NC(=O)NC(=O)c3ccccc3Cl)n2)c1	5459
+C(=NC(=O)c1c(F)c(c(c(c1)F)F)OCF)=O	1490
+COP(OC)(C(C(Cl)=O)OC)=O	141
+CCN1c2c(c(OC)ccc2C3CCc4c(ccc(OC)c4)C3)C(C1=O)=O	3327
+O(CC)C(OCC)c1nc(C)c(C(Cl)=O)cn1	3324
+O(CC=C)P(OCC=C)(=O)OCc1c(cccc1Cl)C(Cl)=O	138
+c1ccc2n(cc(C(Cl)=O)c2c1F)Cc3c(F)cc(-c4cnn(C)c4)cc3	2371
+c1(c(c(ccc1F)C(Cl)=O)Cl)Cl	138
+O=S(=O)(CCC)Nc1ccc(Cl)c(C(Cl)=O)c1F	138
+O=S(=O)(N)c1c(cc(NCc2occc2)c(C(OCCCOC(CCC(=O)Cl)=O)=O)c1)Cl	141
+O=S(=O)(Nc1cc(C(Cl)=O)ccc1)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3	138
+O=S(=O)(c1cc2CCCN(C)c2cc1)Cl	1491
+c1cc(ccc1S(=O)(=O)Cl)O	1491
+O=S(=O)(Cl)c1cc(c(C)s1)C(=O)Cl	3328
+O=S(=O)(c1cc(F)c(C(Cl)=O)cc1)C	138
+c1cc(ccc1N(CC(OCC)=O)C)S(=O)(=O)Cl	1491
+O=S1(=O)N(C(C(Cl)=C1c2ccccc2)=O)C(C)C	3329
+C1(C(C(=O)Cl)CCCC1)C(=O)OC	141
+c1c(C)cc(cc1CC(Cl)=O)C	141
+c1(C)cc(cc(C)c1Oc2ccc(c(S(=O)(=O)Cl)c2)OCc3ccccc3)[N+]([O-])=O	1491
+C(Cl)(c1c(Cl)sc(c1)Cl)=O	3328
+C(Cl)(c1c(c(Cl)c(F)cc1)C)=O	138
+c1(cc([N+]([O-])=O)ccc1CC(Cl)=O)[N+]([O-])=O	141
+c1(c(cccc1)-n2c(OC)cc(C(=O)Cl)n2)F	954
+C(Cl)(c1c(c(C)ccc1)Cl)=O	138
+C(c1c2c(cc(Oc3ncnc(Cl)c3)cc2)ccc1)(Cl)=O	138
+O=C=NC(c1cc(F)c(I)cc1)=O	1490
+c1c(F)c(c(cc1OC)F)C(=O)Cl	138
+c1c(OC)c(c(cc1C(=O)Cl)OC)Br	138
+c1ccc(-c2ccc(OC)cc2OC)cc1C(=O)Cl	138
+c1c(C(Cl)=O)ccc(Cl)c1Br	138
+c1(ccc(OC)c(c1)OC)C(C(=O)Cl)C	141
+c1ccc(Oc2cc(C)c(OCC(=O)OCC)cc2)cc1C(=O)Cl	138
+Cc1cc(cc(C)c1F)C(Cl)=O	138
+c1c(F)c(c(cc1)F)N2C=C(C=CC2=O)C(Cl)=O	5460
+O(C)c1cc(cc(OC)c1OC)-c2ccccc2C(Cl)=O	138
+c1c(c(C(Cl)=O)cc(-c2nnn[nH]2)c1)OC	138
+c1c(cc(C)c(C(Cl)=O)c1)Br	138
+c1(C(Cl)=O)nc(Cc2cc(ccc2)C(=O)C)oc1	3322
+c1c(cccc1OCC(Cl)=O)OC	141
+c1cc2c(-c3c(cccc3)C2(C(=O)Cl)CCCCBr)cc1	141
+c1cc(Br)c(c(C(Cl)=O)c1OC)Cl	138
+c1cc(Br)c(C(Cl)=O)cc1I	138
+c1cc(C(Cl)=O)cc([N+]([O-])=O)c1OC	138
+c1cc(Cl)c(C(Cl)=O)cc1I	138
+c1cc(OC)cc(OC)c1C(CCCCC)CC(Cl)=O	141
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(Cl)=O)s3	1488
+c1cc(cc(OC(C)=O)c1OC)C(Cl)=O	138
+c1cc(cc(c1OC)OCC)C(Cl)=O	138
+c1cc(ccc1)-c2c(C)c(C(Cl)=O)c3ccccc3n2	138
+c1cc(ccc1)-c2c(cccc2)Cn3c4c(c(OCC(OC)=O)nc(SC)n4)c(C(=O)C(N)=O)c3CC	5461
+c1ccccc1-c2cccc(C(Cl)=O)c2F	138
+c1cc(ccc1)-c2c(CCCC(=O)Cl)c(Cl)ccc2	141
+c1cc(ccc1)-c2ccc(c(F)c2)C(=O)Cl	138
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCCC(=O)Cl	141
+c1ccccc1C=2S(=O)(=O)N(CCCC)C(C=2Cl)=O	3329
+c1cc(ccc1)C2=C(C(=O)N(c3c(cccc3)Cl)C2=O)Cl	5462
+CC(C)(S(=O)(=O)CC(Cc1ccccc1)C(OCc2ccccc2)=O)C(Cl)=O	141
+c1cc(ccc1)COC(=O)N2CC(CCC2)C(Cl)=O	141
+c1cc(ccc1)COC(=O)OC2Cc3c(CC2)ncc(c3Cl)C(OCC)=O	5463
+c1cc(ccc1)COC(CCC(C)(C)C(=O)Cl)=O	141
+c1cc(ccc1)COCC(Oc2ccc(F)c(c2F)C(=O)N)C(=O)Cl	141
+O=S(=O)(c1ccccc1)Nc2c(scc2)C(=O)Cl	1488
+c1cc(ccc1-c2c(C)c(nn2-c3c(Cl)cc(cc3)Cl)C(=O)Cl)OCCCF	954
+c1cc(ccc1C(=O)Cl)-c2c(C)ccc(-c3nnc(C)o3)c2	138
+c1cc(ccc1C(=O)CNC(OCc2ccccc2)=O)C(Cl)=O	138
+c1cc(ccc1C(=O)Cl)OCCCCCCCCCCCCCC	138
+c1cc(ccc1OCCCN(C)C)C(Cl)=O	138
+c1cc(ccc1C(CC=CC=CC(Cl)=O)OC)OC	3323
+c1cc(ccc1C(=O)Cl)-c2nc(-c3ccc4c(c3)OCO4)c(-c5ccccn5)[nH]2	138
+c1cc(ccc1C=2C(N(C3(CCCCC3)N=2)CC(=O)Cl)=O)C	141
+c1cc(ccc1C=CC(Cl)=O)OC	5464
+c1cc(ccc1C=CCCCCCCCC(=O)Cl)F	141
+c1cc(ccc1C(Cl)=O)C=O	138
+c1cc(ccc1OCCCCCCCCCCCCCC)CC(=O)Cl	141
+c1cc(ccc1COC(CC(=O)Cl)CCCCCCCCCCC)OC	141
+c1ccccc1COc2ccc(cc2)CS(=O)(=O)Cl	5465
+c1cc(ccc1Cl)Sc2ccc(cc2)CCC(=O)Cl	141
+c1cc(ccc1Cn2nc(-c3cccc(c3)C(Cl)=O)nn2)OC	138
+c1cc(ccc1F)-c2nn(c3ccc(cc23)C(Cl)=O)C(=O)C	138
+c1cc(ccc1C(c2ccc(cc2)F)=C(C#N)C(=O)Cl)F	5466
+c1cc(ccc1C2(CCCCC2)CCC(=O)Cl)F	141
+c1cc(ccc1F)C2CC(=O)NC=C2C(Cl)=O	5467
+c1cc(ccc1OC)Cn2ncc(C(Cl)=O)c2	5468
+c1cc(ccc1C#N)OCC(=O)Cl	141
+c1ccccc1COc2ccc(cc2)S(=O)(=O)Cl	1491
+c1cc(ccc1C(Cl)=O)OCc2ccccn2	138
+c1cc(ccc1OCc2nc3c(cccc3C)n2CCC(C)C(Cl)=O)Cl	141
+c1cc(ccc1C(Cl)=O)Oc2c([N+](=O)[O-])cc(cc2)Cl	138
+c1cc(ccc1C(Cl)=O)S(=O)(=O)Cl	138
+O=S(=O)(c1ccc(cc1)C)NC(C(Cl)=O)C	141
+c1cc(ccc1[N+]([O-])=O)C(C)C(Cl)=O	141
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(C)c(n(C)n3)C(Cl)=O)c1N4N=NN(C4=O)C	954
+c1ccc2C(=O)N(C(c2c1)=O)CCOCCOCCOCCC(=O)Cl	141
+c1cc(ccc1)-c2c(C(C(Cl)=O)=O)n3CCCCc3c2	5469
+c1cc(ccc1)-c2sc(CCCOC)c(n2)C(=O)Cl	5470
+c1ccccc1COc2cc(C(=O)Cl)c(cc2)C	138
+c1ccccc1Oc2nccc(n2)C(=O)Cl	954
+s1c(C2C(C(Cl)=O)C2)ccc1CCCC	141
+O=C(c1cc2CCCCc2s1)Cl	1488
+CN(C)C(=O)Cc1c(ccc(c1)OC)Br	58
+C(C)N(CC)C(Cc1c(cc(cc1)[N+](=O)[O-])Cl)=O	58
+C1CN(CCC1C)C(Cc2ccc(cc2Cl)[N+](=O)[O-])=O	58
+c1c(cc(c(C(O)=O)c1F)NC(=O)Cc2ccc3OCOc3c2)F	26
+C1COCCN1Cc2c(ncc(C=CC(N(Cc3c4ccccc4n(c3)C)C)=O)c2)N	2385
+c1c2COC(Nc2ncc1C=CC(N(Cc3n(c4c(cccc4)c3)C)C)=O)=O	2385
+C(=O)(C(N)C(C(OC)=O)C)O	4
+n1c(OC)ccc(C(CO)Nc2ncnc3CCN(Cc23)c4ccc(cn4)C)c1	40
+c1cc(ccc1C)-c2cc(C(NC(c3cnc(cc3)OC)CO)=O)cc(C(=O)N(CC(C)C)C)c2	14
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(cc4c(C(=O)C)c3)C(=O)N5CC6CCC5C6	30
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(C(=O)O)cc4c(C(=O)C)c3	1
+C(OC)CCC(N1CCCc2c(Br)cccc12)=O	21
+FC(F)(F)c1ccc2[nH]c(C(O)=O)cc2c1	5471
+c1(F)c(ccc(C=CC(C(O)=O)=O)c1)Br	3330
+c1cc(ccc1C=CC(=O)C(O)=O)-c2cc(OCC)ccc2	3330
+CC(C)(C)[Si](C)(C)OC(CCC1NC(CC1)=O)Cc2cc(F)ccc2	19
+CC(C)(C)OC(=O)NCCC(O)c1cccc(O)c1	37
+NC1=CC(=O)N(C(=O)N1C)CCCCC(OC(C)=O)C	5472
+c1ccccc1Cn2c(C)nc3N(C(N(C(c23)=O)CCCCC(C)OC(=O)C)=O)C	2386
+C1CN(CCN1C)c2ccc(c(c2)C3=C(c4c[nH]c5c4cccc5)C(NC3=O)=O)N	1492
+CN(C)Cc1ccc2c(c(C=3C(NC(=O)C=3c4c[nH]c5c4cccc5)=O)co2)c1	3331
+CN(C)Cc1cnc2c(c(C=3C(NC(C=3c4c[nH]c5ccccc45)=O)=O)c(Cl)cc2)c1	1492
+O=C(C(C(C)=O)CCCCC)O	4
+CC(C)(C)[Si](C)(C)OCCOc1ccc(cc1)C2(CC(O)=CC(=O)O2)CCc3ccccc3	5473
+Clc1cc(c(C2C(C(=O)OC)=C(NC(=O)C2)C)cc1)F	3332
+FC(F)(F)c1nc2c(cc1)cc(c(C)n2)C(=O)OC	5474
+c1cc(ccc1F)C2C(=C(C)NC(=O)C2)C(OC)=O	3332
+c1ccccc1COc2c(c(Cl)cc(c2)Cl)C=CC(CC(=O)CC(=O)OC)O	5475
+C=1(N=C2C=CC=C(C)N2C(C=1)=O)C(CC)Br	5476
+OC(CO)CC(=O)OC	95
+c1cc(Cl)c(c(Cl)c1OC(C)C(OCC)=O)C	289
+FC(F)(F)C1=CN=C(c2cc(c(cc2Cl)Cl)NC(C)C(OCC)=O)C(=O)N1C	3316
+FC(F)(F)c1ccc(Oc2ccc(cc2)OC(C(OCC)=O)C)nc1	289
+O(CC)C(C(N1c2cc([N+]([O-])=O)ccc2SCC1=O)C)=O	3333
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3c1ccc(c3)OC(C)C(=O)OCC)C	289
+O(CC)C(C(C)Oc1c(c(c(Cl)cc1C(=O)C)F)I)=O	289
+O(CC)C(C(C)Oc1cc2cccnc2cc1)=O	289
+O(CC)C(C(N1C(COc2cc(C)ccc12)=O)C)=O	3333
+O=C(OCC)C(Oc1cc(ccc1)Oc2ccccc2[N+]([O-])=O)C	289
+c1cc(ccc1CCOC(C)C(OCC)=O)-c2ccc(cc2)Cl	5477
+c1cc(ccc1OC(C(=O)OCC)C)N(c2nc(Cl)c3cc(ccc3c2)Cl)C	289
+c1(F)cc(cc(F)c1)Oc2ccc(cc2)OC(C(OCC)=O)C	289
+c1cc(ccc1OC(C(OCC)=O)C)Oc2ncc3c(ccc(c3)Cl)c2	289
+c1(c(CCC)c(O)nc(n1)C)C(=O)OCC	5478
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CON=C(c4cnccc4)C(OCC)=O	5479
+C(OC(CC1CCCC(C)C1)=O)C	774
+O(CCC1n2c(cc(I)c2)C(NC1)=O)CC	21
+C(OC(NCCS(=O)CC(=O)O)=O)C	3
+C12C(C1)C(c3n(nc(c23)C#N)CC(OCC)=O)=O	955
+C(C(OCC)=O)n1nc(C#N)c2c1C(C3C2C3)O	1262
+CN(C)C=C(n1nnc(C#N)c1)C(=O)OCC	5480
+c1cc(ccc1OC(C)C)-c2nc(c(o2)C)COc3cc(C)c(cc3)CC(C(OC)=O)OCC	547
+c1(c(cc(OC(C)c2sc(nn2)N)cc1)Cl)Cl	1087
+CC(C)(C)OC(n1ccc(n1)NC(=O)c2cc(cc(Oc3ccc4c(OCN(C)C4=O)c3)c2)OC(C)COC)=O	650
+[N+]([O-])(=O)c1ccccc1Oc2cc(OC(C(N)=O)C)ccc2	83
+c1cc(cc(CCCC(=O)O)c1OC)C	165
+C(C(c1c(ccc(C)c1)OC)=O)CC(=O)O	3
+CC(C)(C)NCC(O)COc1c(C(CCC(=O)OC)=O)cc(cc1)OC	122
+c1c(c(C(C(Cl)C(=O)OCC)=O)ccc1)F	3334
+c1cc(ccc1Nc2c3cc(-c4ccco4)ccc3nc(n2)-n5cc(c6c5ccc(Br)c6)C(=O)CCC(OC)=O)OC	5481
+C(C(c1cc(C)c(F)cc1)=O)CC(OC)=O	27
+c1(C)cc(C(CCC(OC)=O)O)ccc1F	74
+C(C(c1cc(C)c(cc1)OC)=O)CC(OCC)=O	456
+c1ccccc1Cc2sc(NC(=O)CCC(c3cc(c(OC)cc3)CC)=O)cc2-c4ccccc4	1477
+C1CC1(C(=O)NC(CO)c2cc(Cl)ccc2)Nc3nc(ncc3Cl)Cl	9
+c1(ccc(Cl)cc1-c2ccc(C)n2-c3cc(c(C)cc3)C(=O)O)OCc4cccc(F)c4F	2387
+CCOC(=O)C(C(=O)c1cc(F)c(cc1F)C=2CCN(C(C)=O)CC=2)=COCC	3335
+CC(C)(C)NCC(O)COc1c(cc(NC(C)=O)cc1)C(CCC(=O)OC)=O	122
+O=S(=O)(C)c1ccc(C(CCC(C)=O)=O)cc1F	593
+Oc1c(ccc(C(CCC(=O)O)=O)c1)O	5
+CC(C)(C)[Si](C)(C)OC(CC=C)CC(c1cc(Br)ccc1)=O	19
+c1cc2c(cc1CCCC(=O)O)CCO2	165
+C(C(c1ccc(C)cc1O)=O)CC(OC)=O	167
+C(C(c1ccc(C)cc1OCC2CO2)=O)CC(OC)=O	8
+CC(C)(C)NCC(COc1cc(C)ccc1C(=O)CCC(=O)OC)O	122
+C(C(c1ccc(c(c1)O)F)=O)CC(=O)O	956
+c1c(c(Cl)cc(C2=NNC(CC2)=O)c1)OC	2388
+C(C(c1ccc(c(Cl)c1)OC)=O)CC(=O)O	594
+C(C(c1ccc(F)c(N)c1)=O)CC(=O)O	0
+C(C(c1ccc(c(N)c1)OC)=O)CC(=O)O	0
+O(CC)C(C(C#N)C(C(c1cccnc1F)=O)C)=O	5482
+OC(CCCCl)c1cccs1	2389
+c1cc(ccc1S(=O)(=O)N)-n2cc(C)cc2-c3cc(C)cc(C)c3	5483
+c1(c(cc(C(C)=C)c(C)n1)CN=[N+]=[N-])C	3336
+[N-]=[N+]=NCC(O)C(CC(=O)C)OC(C)=O	152
+O=S(=O)(c1ccc(cc1)C)OCC(O)C(CC(C)=O)O	36
+c1cc(ccc1C)S(=O)(=O)n2ccc3c2ncc(n3)NNC(C4C(CC)CC(C4)NC(=O)C)=O	355
+Nc1ccc(N2CC(NC(C)=O)CC2)cc1-n3ccnc3	0
+O1C(N2C(Cc3cc(ccc23)Br)C1CNC(C)=O)=O	38
+C1COCCN1CCC(=O)c2c(cccc2)[N+]([O-])=O	1493
+O=S(=O)(Nc1cc(cnc1OC)-c2nn3c(ncc3C#CC(O)C)cc2)c4ccc(cc4)F	5484
+C(C(O)C)Cc1nc(c2c(n1)n(cn2)C)N	5485
+C(C)(Oc1c(Cl)cccc1)c2nnc(N=C=O)s2	775
+C(C)(N1C(NC(=O)c2[nH]cnc12)=S)c3[nH]c4ccccc4n3	3337
+c1cc(ccc1-c2ccc3c(c2)ccc(S(=O)(=O)c4c(cccc4C)C(O)C)c3)F	5486
+C(C)(c1cc2c(c(Cl)c(Cl)c(OCC(=O)O)c2)s1)=O	3
+C(C)(c1cc2cc(O)c(Cl)c(Cl)c2s1)=O	5
+c12nc(Cl)c(cc1cccc2F)C(=O)C	716
+C(C)(c1cc2c(c(Cl)c(Cl)c(OCC(=O)OCC)c2)s1)=O	52
+Cc1ccc(cc1F)C(=O)C	155
+CC(c1ccc2N(C(Sc2c1)=O)COC)c3nc(cs3)-c4nnccc4	3338
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1C)c(C(=O)N4CCN(CC4C)C(C)c5cc(C#N)ccc5)cn2	3339
+[N-]=[N+]=NC(C)c1cccc([N+]([O-])=O)c1	841
+CN(C)Cc1c[nH]c2cc(Br)ccc12	5487
+CCC(CC)(O)C#CCOS(=O)(=O)c1ccc(cc1)C	2390
+C(C)C(CC)(c1nnc(N)s1)C	1087
+FC1(F)CN(C1)c2c(nc(cc2)C(=O)NC(CC)(CC)C(=O)O)OCC3CC3	3
+C(C)C(CC)(C)C1=CC(C=C1)=C(C)C	5488
+C(C)C(CC)(C)c1ccc(cc1)O	957
+C1CC(CCC1O)C(CC)(CC)C	2391
+O=S(=O)(c1nc(ccc1C2CC2)C(NC(CC)(CC)C(NC)=O)=O)CC(C)C	712
+C(C)C(CC)(C(NC)=O)NC(=O)c1ccc(OC)c(-c2cc(ccc2)Cl)n1	712
+C(C)C(CC)(C(=O)OCC)NC(=O)c1nc(c(N2CC(F)(F)C2)cc1)OCC3CC3	244
+C(C)C(CC)(c1cc(c(C#CC2(CCCC2)O)cc1)C)c3ccc(C(NC(C)(C)C(O)=O)=O)c(c3)C	4
+CCC(CC)(c1cc(c(cc1)C(=O)O)C)c2ccc(c(c2)C)C#CC3(CCCC3)O	1
+CC(C)(C)C(=O)COc1c(C)cc(C(CC)(CC)c2cc3c(cc(C(=O)OCC)o3)cc2)cc1	717
+CCC(CC)(c1ccc(O)c(C)c1)c2cc3c(oc(C(=O)OCC)c3)c(c2)C	1848
+C(C)C(CC)(c1cc(c(cc1)C#CC2(CCCC2)O)C)c3ccc(C(OC)=O)c(C)c3	2340
+CCC(CC)(c1cc(C)c(O)cc1)c2nc3cc(C(=O)OC)ccc3o2	16
+c1cc(ccc1Br)C(CC)(CC)c2ccc(c(C)c2)OCc3ccccc3	22
+c1cc(ccc1C(CC)(CC)c2c[nH]c3c2cccc3N)F	1263
+c1cc(ccc1C=Cc2c(C#N)cc(F)cc2)F	5489
+CCC(CC)(c1cc(c(O)cc1)C)c2cc3sc(cc3cc2)C(OCC)=O	1848
+C(C)c1cccc(CC)c1C(=O)Nc2sc(nn2)C(CC)(CC)C	548
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2sc3ccc(OC)cc3c2)C)=O	717
+C(C)C(CC)Nc1c(nccc1)N2CCN(CC2)C(OCc3ccccc3)=O	2392
+C=1C=CC(C=1)=C(CC)CC	5490
+CCC(CC)Nc1c2n(nc1CC)c(-c3c(OC)cc(C)cc3C)ccc2OC	5491
+c1ccccc1COc2cc(ccc2[N+]([O-])=O)CC(C(=O)CC)C	5492
+c1cc(ccc1C(OC)=O)NC(c2c(c3c(s2)cccc3)C)C(CC)CC	5493
+CCC(CC)C(CO)NS(=O)(=O)c1sc(cc1)Cl	21
+CC(C)(C)OC(N1CCN(CC1)C(c2c(cccc2)F)CNCC(CC)CC)=O	132
+C(C)C(CC)CC(OC(c1ccc(cc1)OC(=O)C)=O)C	279
+c1cc(ccc1C(OC(C)CC(CC)CC)=O)O	173
+C(C)C(CC)CNC(c1ccc2cccc(c2c1)Cc3c(cc(C(=O)OC)cc3)OC)=O	14
+C(C)C(CC)CNC(=O)CN1C=CC=C(NC(=O)OCc2ccccc2)C1=O	9
+CCC(CC)CNC(CN1C=CC=C(N)C1=O)=O	1849
+C(C)C(CC)CNC(c1ccc2cccc(c2c1)Cc3ccc(C(O)=O)cc3OC)=O	1
+O=S(=O)(c1ccccc1C)NC(=O)c2cc(c(Cc3c4c(ccc3)ccc(C(NCC(CC)CC)=O)c4)cc2)OC	258
+C1CN(CCN1c2ccc(cc2)Nc3nc4c(NC(=O)N4C(CC)CC)cn3)C(C)=O	55
+c1cc(ccc1C2C(CC(CC3=NOC(=O)N3)(C(N2C(CC)CC)=O)C)c4cccc(c4)Cl)Cl	3340
+c1cc(ccc1C2N(C(CC)CC)C(=O)C(CC#N)(CC2c3cccc(Cl)c3)C)Cl	143
+CCC(CC)NC(c1ccc(cc1)-c2scc(-c3c(cccc3)Cl)c2CC(OC)=O)=O	1074
+C(C)C(CC)NC(n1c2c(cc1)cc(cc2)Oc3ccnc(NC(Oc4ccccc4)=O)c3)=O	278
+CCC(CC)Nc1ccc(cc1N)C(OC)=O	0
+C(C)C(CC)Nc1nc(c(-c2cc3c(cc2OC)CCC3)nc1CC)CC	356
+c1c(C)c(c(cc1C)C)Oc2c(c(cc(C)n2)NC(CC)CC)[N+](=O)[O-]	136
+C(C)C(CC)n1c2ccc(cc2nc1Cc3sc(cc3)Cl)C(=O)OC	1264
+C(C)C(CC)Nc1nc(ncc1N)Cl	193
+C(C)C(CC)N1C(=O)Nc2cnc(nc12)Cl	3341
+CCC(CC)Oc1cc(c(-c2c(cc(cc2)OC)Cl)nc1NC)Br	3342
+CCC(CC)Oc1ccc(nc1NC)I	70
+CCC(CC)c1cc(C(=O)OC)cc(n1)OC	5494
+C(C)C(CC)c1c2c(c(Cl)cc1)nc(Cl)n2CCCC(=O)OCC	1088
+CN(C)c1ncc(c(C)c1)Nc2nc3c(c(C(CC)CC)ccc3Cl)n2CCCC(=O)OCC	3343
+C(C)C(CC)c1ccc(Cl)c2nc(n(CCCC(=O)OCC)c12)Nc3c(Br)cc(C)cc3	1494
+C(C)C(CC)c1c2c(nc(Nc3c(cc(OC)nc3)C)n2CCCC(=O)OCC)c(Cl)cc1	3343
+C(C)C(CC)c1c2n3c(nc2c(Cl)cc1)N(c4ccc(cc4Br)C)CCCC3	2393
+C(C)C(CC)c1c2n(CCCCO)c(nc2c(Cl)cc1)Nc3c(cc(OC)nc3)C	44
+C(C)C(CC)c1c2c(nc3N(c4cnc(cc4C)O)CCCCn23)c(Cl)cc1	104
+C(C)C(CC)c1ccc(c2c1n(c(Oc3c(Cl)cc(cc3N(C)C)Cl)n2)C)Cl	79
+C(C)C(CC)c1c2c(nc3N(c4cnc(cc4C)OC)CCCCn23)c(Cl)cc1	2394
+CCC(CC)c1c2n(c(Nc3ccc(Cl)cc3Cl)nc2c(Cl)cc1)CC(=O)OCC	1494
+C(C)C(CC)c1cc(C)nn2c(-c3sc(cc3C)Br)c(nc12)C	407
+CN(C)c1[n+](cc(N2CCCCn3c4c(c(Cl)ccc4C(CC)CC)nc23)c(c1)C)[O-]	103
+c1cc(ccc1F)-c2sc(-c3n4c(nc3C)c(C(CC)CC)cc(C)n4)c(c2)C	5495
+C(C)C(CC)c1c2nc(C)c(-c3sc(cc3Cl)-c4nc(ccc4)C)n2nc(C)c1	5496
+C(C)C(CC)c1c2n(c(Cl)nc2c(Cl)cc1)CC(OCC)=O	5497
+C(C)C(CC)c1c2c(nc(Nc3c(Br)cc(C)cc3)n2CCCCO)c(Cl)cc1	44
+C(C)C(CC)c1ccc(c2nc(n(C)c12)Oc3c(cc(SC)cc3Cl)C)Cl	1850
+C(C)C(CC)c1ccc(c2nc(n(C)c12)Oc3c(cc(cc3Cl)C(O)=O)C)Cl	595
+C(C)C(CC)c1ccc(c2nc(Oc3c(cc(cc3C)S(=O)C)Cl)n(C)c12)Cl	357
+C(C)C(CC)c1ccc(c2nc(n(C)c12)Oc3c(cc(C(=O)N)cc3C)Cl)Cl	169
+CC(C)(C)OC(=O)N1C(Nc2c1cccc2C(CC)CC)=O	5498
+C(C)C(CC)n1c2c(nc1Cc3sc(cc3)Cl)cc(C(O)=O)cc2	1
+C(C)C(CC)n1c(C(=O)N(C)C)cc2cnc(Cl)nc12	147
+c1cc(ccc1C=Cc2c(cc([N+](=O)[O-])c(OCC(CC)CCCC)c2)OCC(CCCC)CC)C#N	1265
+O=S(=O)(c1c(N)cc(Cl)cc1Cl)NC(CNc2ccc(C)cc2C)CC	71
+CCC1(CC)c2cc(ccc2N(C(C)C)C1=O)[N+]([O-])=O	3344
+C(C)C1(CC)c2c(N(C)C1=O)cc([N+](=O)[O-])c(N)c2	106
+CCC1(CC)C(N(C)c2ccc(cc12)NC(C)=O)=O	1089
+C(C)C=CCC=CCC=CCC=CCC=CCCCCOC(CC)C(=O)NCCO	9
+CC(C)(C)OC(NCCNC(C(OCCCCC=CCC=CCC=CCC=CCC=CCC)CC)=O)=O	9
+C(C)C=CCC=CCC=CCC=CCC=CCCCCOC(C(=O)NCCOC(=O)Cl)CC	5499
+c1cc(ccc1C=C(C(CCC)=O)C(OCCC#N)=O)[N+]([O-])=O	2395
+c12cc(CCC)[nH]c1cc(cc2)C(=O)OC	3345
+c1c([N+]([O-])=O)cc(cc1C(=O)OCCC(C)(CCC)S)[N+]([O-])=O	279
+c1(c(C#N)c(O)nc(CCC)c1)C	3346
+C(CC)C(CCC)(C(=O)OCC)Oc1c(cc(cc1)Cl)C=C2c3ccc(cc3NC2=O)Cl	1495
+CCCC(CCC)(CO)COC	76
+c1cc(ccn1)-c2cc3c(C(NC(CCC)(CCC)N3)=O)s2	3347
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1NC(=O)CCC)[N+](=O)[O-]	166
+c1c(N)cc(cc1)NC(=O)CCC	0
+Cc1cc(c(c(C)c1)CCCC)O	165
+C1(CCC)CCC(CCC)N1	25
+c1(C(CCCC)N)cc(c(OC)cc1)OC	840
+C(CC)CCOCCCCCO	176
+c1n(CCCCC)c2ccccc2c1C(Cc3c(cccc3)OC)=O	339
+C(=O)(c1cccc2ccccc12)c3c4c(n(CCCCC)c3)ccc(OC)c4	339
+C(CCCC)Oc1cccc(O)c1	8
+c1cc(ccc1F)C(C#N)CCCCC	5500
+c1cc(ccc1S)N(c2ccc(cc2)[N+](=O)[O-])CCCCC	2396
+C(Cn1nc(c2c1cccc2)C(OC)=O)CCC	1090
+c1cc(ccc1CN(CCCCCC)c2cc3c(OC(C)(C)OC3=O)cc2)C#Cc4ccc(cc4)OC	713
+CCCCCCC1(CCCCCC)c2c(-c3c1cc4C(=O)C(Cc4c3)C)cccc2	3348
+C1CN(CCN1c2ccc([N+]([O-])=O)cc2C=C)C	5501
+C1CC(CCC1)C(NCCc2csc3ccc(cc23)C=C)=O	1496
+C1CN(CCC1Nc2c([N+](=O)[O-])ccc(C=C)c2)C3CCC(CC3)OCCC	651
+C1CC1N2c3c(F)c(F)c(c(C=C)c3C(C(C(OCC)=O)=C2)=O)F	651
+C1CC(CCO1)N2CCC(CC2)Nc3c([N+](=O)[O-])ccc(C=C)c3	651
+CC(C)(C)C(=O)Nc1ccc(C=C)cn1	1851
+CC(C)(C)OC(Nc1ccc(c(c1C(OCc2ccccc2)=O)C)C=C)=O	651
+CC(C)(C)OC(N1CCC1COc2cnc(Cl)c(c2)C=C)=O	1851
+CCCCC1(CCCC)c2ccc(cc2C(O)=C(C1=O)C=3NS(=O)(=O)c4cc(ccc4N=3)C=C)F	1496
+Clc1ccc(CC(OC)=O)c(C=C)c1	1496
+FC(F)(F)Oc1ccc(cc1)-n2ncc3c2ccc4cc(ccc34)C=C	651
+FC(F)(F)C(C)(C)c1c(cc(cc1F)C=C)F	3349
+c1cc(ccc1CC(OCC)C(OCC)=O)C=C	3349
+FC(F)(F)c1c(C#N)ccc(C=C)c1	651
+FC(F)(F)c1c(C)n2c(ccc(C=C)n2)n1	5502
+FC(F)(F)c1ccc(cn1)C=C	1851
+C1CCN(C1)c2nc(C=C)cc(c2)S(=O)(=O)c3ccc(cc3)N	5503
+O=S(=O)(c1ccccc1F)c2cnc(cc2)C=C	1852
+O=S(=O)(n1ccc2c(cccc12)C=C)c3sccc3	5504
+c1([N+]([O-])=O)ccc(C=C)c(C)c1	651
+c12-c3c(cccc3)C(c1cccc2)COC(=O)NC(c4cc5c(c(C=C)n4)c(Cl)ccc5)C	1852
+C(=C)c1c2c(ccc(O)c2)ccc1	1496
+C(C)OC(=O)c1cc(C=C)c(F)cc1	651
+CC(=O)NCCc1coc2c1cc(cc2)C=C	1496
+c12cc(ccc1nccc2Cl)C=C	651
+c1c(Br)ccc2ccc(C=C)cc12	651
+C(=C)c1cccc2cc[nH]c12	5505
+c1cc(ccc1)COc2nc(C=C)ccc2[N+]([O-])=O	1852
+c1cc(ccc1-c2nc3n(c2)cc(C=C)c(C)c3)N(C)C	1851
+c1cc(ccc1-c2noc3-c4ccc(cc4CCc23)C=C)CCC	651
+c1cc(ccc1OC)CN(c2nccs2)S(=O)(=O)c3ccc4c(c3)OCCN4c5ccccc5C=C	651
+c1cc(ccc1OC)Cn2c3c(c(ncn3)NC(c4cc5c(c(C=C)n4)c(Cl)ccc5)C)nc2	1852
+c1(SC)nc(C=C)cc(n1)-n2c(C)nc(n2)C	5506
+n1ccc(C=C)c2cc(C#N)ccc12	5507
+C1C(CC1)N2Cc3c(C2=O)c(c4cccc(c4n3)-c5c(cc(F)cc5)C#N)N	5508
+c1ccccc1C=2C(=O)N(Cc3ccccc3)c4c(c(c(C(OC)=O)nc4-c5cccnc5)O)C=2	1853
+c1cc(ccc1)C(N2c3c(C=C(C2=O)c4ccccc4)c(O)c(C(=O)OC)nc3-c5cnccc5)C	1853
+c1cc(ccc1)CN2C(C(=Cc3c(c(C(=O)OC)nc(c23)-c4cnccc4)O)Cc5ccccc5)=O	1853
+c1cc(ccc1)CCC=2C(=O)N(Cc3ccccc3)c4c(C=2)c(O)c(C(OC)=O)nc4-c5cnccc5	1853
+C(c1ccc(cc1OC)OC)N2c3c(cc(c(-c4occc4)n3)F)C(=O)C(C(=O)OCC)=C2	5509
+N#Cc1ccccc1Oc2c(O)cc(c(-c3ccco3)c2)C	5510
+c1cc(ccc1OC)Cn2cnc3c(nc(nc23)N)-c4occc4	5511
+C(OC(=O)C(C(=O)OCC)c1cnc(c(C)c1)-c2ccnc(C)c2)C	5512
+c1cnccc1-c2nc(C(OC)=O)c(O)c3C=C(C(N(CC4CCCCC4)c23)=O)c5ccccc5	5513
+CC(C)(C)OC(NC1CCCCC1Nc2c(F)c3CN(C(c3c(-c4sncc4)n2)=O)C(=O)OC(C)(C)C)=O	5514
+FC(F)(F)c1cc(Nc2nc(-c3scnc3)cc(N)c2)ncc1	5515
+c1cc(ccc1-c2nccn2C)Cc3c(nc4c(F)ccc(c4c3OC(F)F)OCC(=O)OC)CC	5516
+CC(C)(C)OC(=O)NC1CCCc2c1sc(-c3c(c4c(C(NC(=O)N4C5CC5)=O)cc3F)C)c2	5517
+CC(C)(C)OC(=O)NCCC(=O)OCC(N(CCC)CCC)=O	3350
+C(CC)N(CCC)c1ccc(Br)c2c1n(c(Nc3c(cc(cc3C)C)C)n2)C	1494
+C(CC)c1c(ccc2C(=O)CC(Oc12)C(=O)OCC)OCCCCCOc3ccc(c(c3CCC)O)C(C)=O	3351
+C(C)N(CC)C(=O)C1Sc2c(cccc2)-c3[nH]c4c(cc(cc4)OC)c13	5518
+C(C)N(CC)C(=O)C1Sc2ccccc2-c3n(c4c(cc(OC)cc4)c13)CCF	1854
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N2CCC(CC2)=NOCC(=O)N(CC)CC	5519
+FC(F)(F)c1cnc(Oc2cc(OCC(N(CC)CC)=O)ccc2CCC(=O)OCC)c(Cl)c1	648
+CCN(CC)C(Cc1cccc(Oc2c(F)cccc2)c1N)=O	0
+CCN(CC)C(Nc1c(nn(c1)C2OCCCC2)-c3nc4c(cc(c(c4)NCCN(C)C)F)[nH]3)=O	5520
+CCN(CC)C(=O)c1cc(Br)c2ccccc2c1OC	38
+C(C)N(CC)C(=O)c1ccc(cc1)C(c2c(cccc2)OC)OC(=O)C	152
+c1(c2c(cc(CCN3C(CO)CC(O)C3)n1)c(C)ccc2)O	5521
+C[Si](C)(c1ccc2c(cccc2)c1C(N(CC)CC)=O)CCl	1091
+CCN(CC)C(c1cnc(c(c1)NC(=O)Cc2ccc(cc2)OCC)NCC=C)=O	308
+C(C)N(CC)C(c1ccc(C(NN)=O)s1)=O	5522
+C1CN(CCN1c2ccc(CN3C(=O)c4ccccc4C3=O)cc2F)C(c5ccccc5)C(=O)N(CC)CC	2397
+C(C)N(CC)C(C(c1ccccc1)N2CCN(CC2)c3c(F)cc(cc3)CO)=O	41
+C(C)N(CC)CCc1c(cc(cc1)[N+](=O)[O-])Cl	15
+CCN(CC)C(N)=C(C(N)=S)C#N	5523
+C(C)N(CC)C(=O)c1cnc(c(N)c1)NCC=C	13
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(C)=NNC(c3ccc(s3)C(N(CC)CC)=O)=O)c2O	2398
+c1cc(ccc1Cc2c(cccc2)O)C(N(CC)CC)=O	5
+C(C)N(CC)C(c1cnc(nc1)C2(CCN(CC2)CC(CCC)C)c3cccc(N)c3)=O	1497
+C(C)N(CC)C(c1cnc(nc1)C2(CCN(CC2)CC(CCC)C)c3cccc(NS(=O)(=O)C)c3)=O	80
+CC(C)(C)OC(=O)N1CC(CCC1)C(N)=O	3352
+Cc1ccc(c(C(=O)N)c1)[N+]([O-])=O	5524
+O=S(=O)(C)N(S(=O)(=O)C)c1ccc(cc1I)[N+](=O)[O-]	5525
+c1cc(ccc1OC)Cn2ncc3c2cc(cc3)C(COS(=O)(=O)C)OS(=O)(=O)C	5526
+c1cc(ccc1Br)C(C)C(N)=O	3352
+C1SC(SCC1)CCC#CCN(CC)CC	5527
+C(C)N(CC)CC#CCCC=O	24
+C1CCCCC1C(C(OCC#CCN(CC)CC)=O)(c2ccccc2)O	5528
+C(C)N(CC)CC(N1c2cc(ccc2Sc3ccccc13)C(N)=S)C	1855
+CC(C)CNC(c1ccc2Sc3c(N(C(CN(CC)CC)C)c2c1)cccc3)=S	5529
+C(C)N(CC)CC=Cc1cc(ccc1S(=O)(=O)Nc2cc(c3c(OCC4CC34)c2C(O)=O)F)F	1
+CCN(CC)CCCc1cc(F)ccc1S(=O)(=O)Nc2ccc3c4ccoc4cnc3c2C(=O)OC	374
+c1cc(ccc1Cn2c3c(cc2)cc(cc3)OCCCCN(CC)CC)Br	190
+CCN(CC)CCCNc1cc(ccc1[N+](=O)[O-])OCCCN(CC)CC	60
+Fc1cccc(F)c1N2C(=O)C=Cc3c(nc(NCCCN(CC)CC)nc23)Cl	306
+Fc1cccc(F)c1N2C(=O)C=Cc3c(-c4cc(C(O)=O)ccc4C)nc(nc23)NCCCN(CC)CC	306
+c1cc(ccc1)-c2cnn(CC(NCCCN(CC)CC)=O)c2	271
+c1cc(ccc1N)OCCCN(CC)CC	0
+C(C)N(CC)CCCc1ccc2c(cc(CO)[nH]2)c1	194
+c1ccccc1-c2cc3c(cc2)C(=Cc4cc5c([nH]4)ccc(CCCN(CC)CC)c5)C(=O)N3	292
+C(C)N(CC)CCCc1ccc2[nH]c(cc2c1)C=O	178
+Ic1cc(cc(I)c1OCCN(CC)CC)C(=O)c2c(CCC(=O)OC(CC)C)oc3c2cccc3	72
+C(C)N(CC)CCOc1c(cc(cc1)Br)F	72
+C(C)N(CC)CCOc1c(CC(=O)OCc2ccccc2)cccc1	72
+c1cc(ccc1Br)OCCN(CC)CC	72
+CCN(CC)CCOc1ccc(cc1)C(CCC)=O	72
+C(C)N(CC)CCOc1c2c3c(c(ccc3)C)n(Cc4ccc(cc4)F)c2ccc1	72
+c1ccccc1Cn2c3cccc(OCCN(CC)CC)c3c4c2c(F)ccc4	72
+CCN(CC)CCNC(=O)c1cc(C)[nH]c1C=O	56
+CCN(CC)CCNC(Cc1c(c([nH]c1C)C=O)C)=O	9
+CCN(CC)CCNC(=O)c1cc(c([nH]1)C=O)C	81
+CCN(CC)CCNC(=O)c1cc(c(Nc2cncc(-c3ccc(cc3)O)n2)cc1OC)Cl	14
+CCN(CC)CCNC(c1cc(C=C2c3c(Cl)nc(nc3N(C2=O)Cc4ccncc4)N)[nH]c1)=O	56
+Clc1cc(cc(Cl)c1)OC2CCN(C(=O)N(CC)CCN(CC)CC)C2	776
+CC1(C)C(C)(C)OB(O1)c2cc(F)c(cc2)OCCN(CC)CC	17
+C(C)N(CC)CCc1c(Cl)cc(cc1)N	0
+C(C)N(CC)Cc1c(C(O)C)c(c2cc(OC)c(cc2n1)OC)-c3ccc(OC)c(OC)c3	652
+C(C)N(CC)Cc1sc(-c2onc(-c3cc(c(NC(COCc4ccccc4)=O)c(Cl)c3)C)n2)cc1C	26
+C(C)N(CC)N=Nc1c(c(C(O)C)cc(Cl)c1C#C)-c2cc(F)ccc2	74
+C(C)N(CC)N=Nc1c(-c2cccc(c2)F)c(C(=O)C)cc(Cl)c1C#C	5530
+C(C)N(CC)N=Nc1c(c(C(O)=O)cc(Cl)c1C#C)-c2cc(ccc2)F	1
+C(C)N(CC)N=Nc1c(C#C)c(Cl)cc(c1-c2cc(ccc2)F)C(N(OC)C)=O	280
+CC(C)(C)[Si](C)(C)OCCCOc1c(-c2ccc(c(C)c2)N(CC)CC)cc(cc1)-c3ccc(cc3)C(=O)OCC	11
+C(C)N(CC)c1c(C)cc(cc1)B(O)O	281
+CCN(CC)c1nc(cc(C)c1)C(NO)=N	958
+C(C)N(CC)c1cc(cc(C=O)n1)C	3353
+C(C)N(CC)c1cc(C)cc(C#N)n1	5531
+C(C)N(CC)c1ccc(C=Nc2sc(c(c2C(OCC)=O)C(OCC)=O)N)s1	5532
+C[Si](C)(C)C#Cc1ccc(cc1)N(CC)CC	311
+CCN(CC)c1nc(cc(c1)C)C=C	3354
+CCN(CC)c1nc(nc2c1cccc2)N3CCC(CC3)CN	549
+C(C)N(CC)c1nsc(NC(=O)NC)c1C(=O)N	1856
+O=S(=O)(OCCN(CC)c1ccc(c(c1)NC(=O)C)N=Nc2c(cc(cc2)[N+](=O)[O-])OC)c3ccccc3	1226
+c1cc(ccc1Cl)C2=NC=CN(CC)C2=O	5533
+n1cc(cnc1N2CCCN(CC2)CC)C(=O)OC	117
+c1cc(ccc1OCCCCN(CC)CC)C#N	5534
+CCN(CC)C(c1c2ccccc2[nH]c1C(OCC)=O)=O	211
+C(C)N(CC)CCC1(C=CCC=C1)c2ccccc2	123
+C1C2CC3CC(CC1C3)C2NC(=O)c4c(n(C)nc4)N(CC)CC	959
+C1CC(CCN1Cc2ccccc2)(c3cc(OC)ccc3)c4ccc(cc4)C(N(CC)CC)=O	3355
+C1CCCN1c2nc(N(CC)CC)nc(c2)Cl	117
+C1CN(CCC1c2c[nH]c3c(C(=O)N)cc(-c4ccc(cc4)CN(CC)CC)cc23)S(=O)(=O)CC	48
+CCN(CC)Cc1[nH]c(nc1)[N+](=O)[O-]	5535
+c1cccc2nn(nc12)-c3c(c(CN(CC)CC)cc(C)c3)O	1092
+n1c2ccccc2nn1-c3c(c(CN(CC)CC)cc(CCO)c3)O	1092
+CC(C)(Oc1ccc2c(c(C(=O)OCc3ccccc3)c(C)[nH]2)c1)C(N(CC)CC)=O	10
+CC(C)(C)CCN1C(=O)C(C=2NS(=O)(=O)c3cc(NS(=O)(=O)CCN(CC)CC)ccc3N=2)=C(C(=N1)c4cccs4)O	3356
+CC(C)(C)OC(=O)N1CCC(CC1)=C(Br)c2ccc(cc2)C(N(CC)CC)=O	30
+CC(C)(C)OC(=O)NCC(c1c([nH]c2c1cc(C(C)(C)C(N(CC)CC)=O)cc2)-c3cc(C)cc(C)c3)C	10
+CC(C)(C)OC(=O)Nc1c(cc(c(N(CC)CC)c1)C#N)[N+]([O-])=O	34
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)OCCCCN(CC)CC	28
+CC(C)(C)OC(=O)N1CCC(CC1)N(C(N(CC)CC)=O)C2CCCCC2	2399
+CCN(CC)CC=C(C=CCC(CCC=C(C)C)C)C	3283
+CC(C)Oc1ccccc1-c2c(OC)cccc2C(=O)N(CC)CC	30
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4cc([nH]n4)C)[nH]3)CCN(CC)CC	28
+CCN(CC)C(CC#N)=O	1857
+CCN(CC)C(c1c([nH]cc1)C)=O	1858
+C(C)N(CC)C(CCC#Cc1cn(c2c1c(nc(n2)N)Cl)Cc3c(c(c(C)cn3)OC)C)=O	10
+C(C)N(CC)Cc1nc2cc(c(cc2c(c1C(C)=O)-c3cc(c(cc3)OC)OC)OC)OC	596
+CCN(CC)C(=O)c1c(C)cc(OC)cc1	30
+C(C)N(CC)c1nc(cc(C)c1)Cl	43
+FC(F)(F)COc1cc(ccc1CC(OC)=O)OCC(O)CN(CC)CC	170
+FC(F)(F)c1cc(ccc1)N=C2c3ccccc3N(c4ccc(cc4)OCCCN(CC)CC)C2=O	28
+FC(F)(F)c1cccnc1N2CCN(CC2)c3nc(N(CC)CC)nc(-c4ccc(F)c(Cl)c4)c3	117
+CCN(CC)CC(O)COc1cc2nccc(c2cc1C#N)Oc3ccc(c(Cl)c3)N	170
+CCN(CC)C(COc1cccnc1Br)=O	10
+C(C)N(CC)CC(c1c([nH]c(C=O)c1C)C)=O	1498
+C(C)N(CC)CC1Oc2cc(S(=O)(=O)C)ccc2OC1	236
+C(C)N(CC)S(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2	92
+CCN(CC)Cc1sc(cc1C)C(O)=O	509
+c1(C)cccc(C)c1N(S(=O)(=O)C)CC(N(CC)CC)C	1499
+CCN(CC)C(=O)c1c(cccc1)Cl	115
+CCN(CC)C(c1ccoc1C)=O	1859
+CCN(CC)C(=O)CCCn1nnnc1C	10
+C(C)N(CC)CCCN1c2c(cccc2)Oc3ccccc13	53
+C(C)N(CC)C(=O)Cc1cccc(Oc2ccccc2F)c1[N+]([O-])=O	10
+CCN(CC)c1cccc(C(=O)Nc2cc(cc3n[nH]cc23)-c4cccc5c4cc[nH]5)n1	43
+C(C)N(CC)C(=O)C1CC(=O)c2c(cccc2)S1	10
+C(C)N(CC)CCCOc1ccccc1-c2c3c(N=C(SCC(=O)OCC)N(C3=O)c4cc(F)ccc4)sc2	53
+C(C)N(CC)CCCCOc1ccc(cc1)C(=O)c2c3ccccc3oc2-c4ccccc4	28
+c1(C)cccc(C)c1N(C(c2ccccc2)=O)CC(C)N(CC)CC	3357
+CCN(CC)CCOc1cc2c(c(C)n(C)c2cc1)C(=O)OCc3ccccc3	53
+c1cc(ccc1-c2c(cnn2C)C=CC(Nc3ccc(cc3)CC(N(CC)CC)=O)=O)F	10
+c1cc(ccc1F)-c2nc(CCCC)n(Cc3ccc(cc3)-c4c(C#N)cccc4)c2C(=O)N(CC)CC	777
+CCN(CC)Cc1cccc(C(=O)Nc2cc(ccc2C)NC(c3ccc(cc3)C#N)=O)c1	171
+c1cc(ccc1C(N(CC)CC)=O)CO	30
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C	28
+c1cc(ccc1SC)C(=O)C2(CCCCC2)N(CC)CC	1860
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCN(CC)CC	123
+c1cc(ccc1NC=C2c3ccccc3NC2=O)OCCCN(CC)CC	183
+O=S(=O)(N(CC)CC)c1ccc(cc1)[N+]([O-])=O	92
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4ccc(cc34)-c5c(CN(CC)CC)ccc(F)c5)N	171
+CCN(CC)Cc1onc(-c2c3C4CCCN4C(=O)c5c(cccc5Cl)-n3cn2)n1	960
+C(C)N(CC)c1nc(nc2ccccc12)Cl	54
+c1cc(ccc1-c2cc3c(cc2)oc(CCN(CC)CCC)c3)C#N	123
+Cc1cc(cc(C)c1-n2c3c(c(C)c2)c(N(CCCC)CC)nc(C)n3)C	778
+CCOB(O)c1cc2c(cc1OC)CCC2	3358
+CCOC(C1=CN=C2N(C1=O)C=Nc3c2cccc3)=O	5536
+c1ccccc1COC(n2ccc3c(OC(C(=O)OCC)C(=O)OCC)cccc23)=O	5537
+c1cc(ccc1)Cc2ccc3oc(C(OCC)=O)cc3c2	5538
+CC1(C)c2c(C(=C(C(=O)OCC)C1=O)O)ccc(O)c2F	3359
+C(Cc1ccc([N+]([O-])=O)cn1)(OCC)=O	2367
+C(C)OC(c1c(O)c2c(c(C)cc(OC)c2)nc1)=O	1861
+CCOC(c1c(O)c2c(c(Cl)nc(C)c2)nc1)=O	5539
+c1(cnc2ccc(OC)cc2c1Cl)C(=O)OCC	5540
+c1c(cc2ncc(c(O)c2c1)C(=O)OCC)Br	1861
+c1ncc(nc1C)C(NC23CC(CCC2)(CC3)C(=O)OCC)=O	312
+FC(F)(F)S(=O)(=O)Oc1n(-c2c(ccc(c2)F)F)nc(c1)C(=O)OCC	5541
+C(C)OC(=O)C=1C(=C(C(=O)N(C=1C)C)C)Nc2c(F)cc(C)cc2	5542
+C(C)OC(C=1C(=C(C(N(C=1CBr)C)=O)C)Nc2c(F)cc(C)cc2)=O	1093
+C1CC1CONC(C=2C(=C(C(=O)N(C)C=2C)C)Nc3c(F)cc(cc3)C)=O	5543
+O(C(=O)C(C(OCC)=O)CCCCCCC=C)CC	1862
+C(OCC)(=O)C(C(OCC)=O)CCCCCCCCCC	1862
+O=C(OCC)C(C(=O)OCC)C(=O)c1c(C)c([N+](=O)[O-])ccc1	2400
+C(c1c2c(ccc1OC)C=C(C(=O)OCC)C(=O)O2)CC	3360
+C(c1c2c(ccc1OCCF)C=C(C(=O)OCC)C(=O)O2)CC	3360
+O(CC)C(=O)C(C(OCC)=O)CC1CCCCC1	1862
+C1CC(CCC1C(=O)C(C(=O)OCC)C(=O)OCC)CCC	3259
+C1CC1COc2c([N+]([O-])=O)ccc(C(C(OCC)=O)C(OCC)=O)c2	1266
+CC(C)CN1c2ccccc2C(O)=C(C1=O)C(OCC)=O	3361
+CC1(C)Cc2c(c(c(C3CC(=O)C=C(O)C3)c(c2O1)Cl)C)C	5544
+C1(CC(CC(=O)C1)c2c(F)ccc(C)c2)=O	5545
+Cc1c2cc(C(=O)OCC)c(O)nc2nc(OC)n1	5546
+O=C(OCC)C(C(=O)OCC)c1c(cccn1)Cl	3362
+O(CC)C(=O)C(C(OCC)=O)Cc1c(cccc1Br)Cl	2401
+Clc1ccc(c(-c2oncc2CCC(OCC)=O)c1)Cl	2402
+CCOC(=O)C(C(=O)OCC)C(=O)c1c(F)c(OC(F)F)c(c(F)c1)F	2400
+O=C(OCC)C(C(=O)OCC)C(=O)c1cc(F)c(cc1Br)F	2400
+CCOC(C=1C(N(C)C(C)=CC=1O)=O)=O	5547
+O(C(=O)C(C(OCC)=O)CC(CCCCC)c1c2OCOc2ccc1)CC	5548
+O=C(OCC)C(C(=O)OCC)c1ncc(cc1Cl)Br	3362
+O(CC)C(=O)C(C(OCC)=O)c1cc(c(nc1)Cl)C	5549
+c1c(cc(C)c(NC(CC(OCC)=O)=O)c1)Br	5550
+O(CC)C(=O)C(C(OCC)=O)c1cc(c([N+]([O-])=O)cc1)OC	1266
+c1c(ccc(-c2oncc2CCC(OCC)=O)c1F)F	2402
+O(C(=O)C(C(OCC)=O)c1c(ccc(F)c1)[N+](=O)[O-])CC	1266
+C1CC(CCO1)(C(=O)C(C(=O)OCC)C(=O)OCC)c2ccccc2	3363
+CCOC(=O)C(C(=O)OCC)Cc1ccc(cc1)Br	2401
+c1cc(ccc1OCCC(C(OCC)=O)C(OCC)=O)Br	1862
+O(C(=O)C(C(OCC)=O)Cc1cccc(Cc2nc(oc2C)-c3ccc(cc3)C)c1)CC	2401
+c1cc(ccc1CN2C(C3=C(C=N2)C=C(C(=O)N3C)C(OCC)=O)=O)OC	5551
+c1cc(ccc1F)CN2C(=O)C(=C(c3ccccc23)O)C(OCC)=O	3361
+c1cc(ccc1SC)C2CC(C=C(O)C2)=O	5552
+c1ccccc1-c2ccc(cc2)-c3c(CCC(OCC)=O)con3	2402
+c1nc(ncc1Br)NC2CC(CC)N(C(=O)OCC)c3ccc(OC)nc23	96
+O(CC)C(=O)N1CC(N(CC1C)CC=C)C	1863
+C1CCC(C1)Oc2c(OC)cc3c(C=CN(C(=O)OCC)C3Cc4cccc(OC)c4)c2	313
+C1CN(CCC1(C(OCC)=O)F)C2CCN(CCC2)C(OCC)=O	85
+O1CCOC12CCN(C(OCC)=O)CCC2	381
+c1cc(ccc1)CNC2CCN(C(OCC)=O)CCC2	87
+c1cc(ccc1)CN2CCN(CCC2)C(=O)OCC	131
+N1(Cc2sc3c(c2C1)c(ncn3)Nc4cc(c(cc4)Cl)Cl)C(OCC)=O	1500
+C(C)OC(=O)N1Cc2c(C1)sc3c2c(ncn3)Cl	779
+C(C)OC(n1c2c(cc([N+]([O-])=O)cc2)c(n1)OC)=O	5553
+C(c1c(C(=O)OCC)cc(OC)cc1)Br	29
+O=S(=O)(CCC)Nc1ccc(Cl)c(C(OCC)=O)c1F	80
+C1COCCN1c2nc(N(CC)C)c(C(OCC)=O)c(c2)C	43
+COc1cc2c(N)c(cnc2cc1)C(=O)O	6
+C(C)OC(=O)c1c(N)ccc(-c2cnn(CCCCO)c2)n1	1864
+Nc1c(C(NC)=O)nc(cc1)Br	780
+FC(F)(F)c1ccccc1-c2c([nH]c(C(=O)OCC)c2C)C	550
+CC(C)(C)C(NCc1ccc(c(C(OCC)=O)c1F)Cl)=O	68
+c1(csc(c1C)C)C(=O)OCC	5554
+c12CCCC(c1scc2C(=O)O)=O	6
+c12ccc(C#N)cc1[nH]c3c2c(ncn3)O	3364
+c1c(C)c(ccc1CO)Br	217
+C1CC1c2c(ccc(C(OCC)=O)c2)F	3365
+CCCCc1n[nH]c(C(=O)O)c1	6
+c1c(C(=O)O)ccc(C)c1OCOC	6
+c1c(c(F)ccc1CO)Oc2cnccn2	217
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(Nc4c(cc(cc4)C(OCC)=O)F)=O)C5CCCCC5	33
+CC(C)(C)OC(=O)N1CCC(CC1)COc2ccc(cc2OC)C(=O)OCC	267
+O=C(N1C(C)CCC1)c2n3CCOCc3c(c2)C(=O)O	6
+C(C)OC(=O)c1cc(n2CCOCc12)C(=O)N3C(C)CCC3	147
+FC(F)(F)c1c(n2c(cc(C(OCC)=O)cc2Cl)n1)CC3CCC(CC3)(F)F	5555
+CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c2c(n[nH]c2C)-c3[nH]c4cc(C(OCC)=O)ccc4n3	597
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(c(C)c4c3ccc(C(=O)OCC)c4)C)=O	190
+C(c1cc2c(cc1)cccc2[N+]([O-])=O)(=O)O	6
+c1c2cc(n3c2c(CC3)cc1)C(=O)O	6
+c1cc2n3c(nc2cc1CO)CN(C)CC3	217
+c1cc2nc(SC)sc2cc1CO	217
+Fc1cccc(F)c1S(=O)(=O)Nc2c(F)ccc(c2)C(OCC)=O	69
+CC(C)(C)OC(Nc1ccc(C(=O)OCC)cc1[N+](=O)[O-])=O	150
+C(C)OC(=O)c1ccc(N)cc1F	0
+c1([N+]([O-])=O)cc(C(=O)O)ccc1NCCOC	6
+NNC(c1ccc(c(c1)O)C)=O	1094
+c1c(C)c(c(cc1)C)COc2cc(ccc2F)C(=O)OCC	139
+C(C)OC(=O)c1cc(c(F)cc1)Oc2cnccn2	842
+c1(-c2csc(n2)-c3cnccc3C)cc(C(=O)O)ccc1	6
+CC(C)(C)OC(CC(c1cccc(-n2ccnc2SCOC)c1)=O)=O	2403
+C1CN(CCN1)c2cc(ccc2)C(=O)OCC	386
+CC(C)(C)C(CN1C(C(CN(C2CCCCC2)c3ccc(C)cc13)NC(Nc4cc(ccc4)C(=O)OCC)=O)=O)=O	5556
+Clc1ccc2c(Nc3cccc(C(=O)OCC)c3)c(cnc2c1)C(=O)N	179
+c1c(F)c(c(cc1)F)C(=O)Nc2cccc(c2)C(OCC)=O	50
+COc1cccc(c1)C(CC#N)=O	5557
+Clc1ccc2c(n(cc2Sc3cc(ccc3)C(=O)OCC)-c4cn(CCC)nc4)c1	5558
+C(C)OC(=O)c1cccc(-c2ccc(N)c(Br)n2)c1	408
+C(C)OC(=O)c1cccc(c1)-c2ccc(N)cn2	13
+C[Si](C)(C)C#Cc1cccc(C(OCC)=O)c1	311
+FC(F)(F)c1c2c(c(n(Cc3c(cc(cc3F)F)F)n2)-c4cc(ccc4)C#Cc5cccc(C(=O)OCC)c5)ccc1	129
+O(C(=O)Nc1cccc(C(Cc2ccnc(Cl)n2)=O)c1)CC=C	1501
+C(c1cccc(c1)Nc2ncnc3c2[nH]cc3)(=O)O	6
+c1cc(ccc1Oc2cc(C(OCC)=O)ccc2)OCC	304
+c1cc(ccc1[N+]([O-])=O)Oc2cc(C(OCC)=O)ccc2	46
+C(C)OC(=O)c1cccc(c1)Sc2c3c([nH]c2C)c(F)c(Cl)cc3	1502
+Clc1ccc2c(Sc3cc(ccc3)C(=O)OCC)c([nH]c2c1)C	1502
+CC(C)(C)[Si](C)(C)OCCn1ncc(c1)-n2c3c(c(Sc4cccc(c4)C(OCC)=O)c2C)ccc(c3F)Cl	1865
+O=C(N)c1nccc(CO)c1	217
+C(O)c1ccnc2ccc(OC)cc12	217
+C(OCc1ncccc1)c2cc(ccc2)-n3cnc(C(=O)OCC)c3	2404
+C1CC1Nc2ccc(C(=O)OCC)cn2	70
+O=C(c1cnc(cc1)Cl)N2CCNCCC2	1858
+CC(C)(C)OC(=O)Nc1ncc(C(=O)OCC)cc1	718
+c1(CO)sc(NC(=O)C)nc1	1503
+c1(n(C)nc(CC)c1Cl)C(=O)OCC	5559
+CCc1c(Cl)nc(C(=O)O)[nH]1	6
+C1CN(CCC1(F)F)C(c2csc(C(OCC)=O)n2)=O	837
+n1cc(Br)n2c1cnc(C(=O)O)c2	6
+C1(N(CCC1(O)C#Cc2cccc(-n3c4CCN(Cc4c(n3)C(=O)N)c5ccncn5)c2)C)=O	314
+s1c(c(c(Br)c1C(=O)O)C#N)Br	6
+CC(C)NC(=O)c1nc(Cl)sc1C(=O)OCC	2405
+c12c(c(C(=O)O)sc1ncnc2O)C	6
+c1cc(ccc1)C(C)(C)NC(=O)c2cc3c(n(C(=O)OCC)nc3NC(=O)c4c([N+]([O-])=O)cccc4)s2	227
+C(CCCCCCCCC)CCC(C(=O)OCC)Oc1cc(ccc1)[N+]([O-])=O	289
+FC(F)(F)c1c2c(on1)c(CCC)c(cc2)OCCCOc3ccc4c(OC(CC)(C(OCC)=O)CC4)c3	8
+C(C)OC(C1=C(N=C(NC1c2ccc(cc2Cl)F)c3nccnc3)CBr)=O	1093
+C(C)OC(C=1C(NC(=NC=1CN2C(COCC2)C(=O)O)c3nccnc3)c4ccc(cc4Cl)F)=O	3366
+C(C)OC(C=1C(NC(c2sccn2)=NC=1CN3CCOC(C)C3C(=O)O)c4ccc(cc4Cl)F)=O	3366
+CN1c2nc3c(cc2C(C(C(=O)O)=C1)=O)cc(F)c(Cl)c3	108
+c1cc(ccc1Cl)CNC(C2=CN3c4c(cc(I)cc4C2=O)OCC3)=O	1267
+C1(=O)C(C(=O)OCC)=CN(c2cc3c(N(C(S3)=O)C)cc2)C(=O)N1C4c5cccc(c5CC4)OC	3367
+C(C)OC(=O)C=1C(=C(C(=O)N(C=1C)C)C)Cl	5560
+C1CN(CCN1c2c3OC(C(=O)OCC)=CC(=O)c3cc(OC)c2)CCOC	79
+O1c2c(C(=O)CC1C(OCC)=O)ccc(c2)O	3351
+C(C)OC(C=1Sc2ccc(cc2C(=O)C=1)OCC=C)=O	220
+C=CCOc1cc2c(SC(C(=O)O)=CC2=O)cc1	108
+O=C1N2C(C(CNCC2)NC(=O)c3ccccn3)=NC(=C1)c4ccncn4	215
+C(C)OC(N1CC(C=2N(C(=O)C=C(N=2)c3ccncn3)CC1)NC(=O)c4ccccn4)=O	2406
+C1N(C)c2c3N(C1)C4C(CN(C(=O)OCC)CC4)c3ccc2	15
+Clc1c2CCN(CCc2ccc1N)C(OCC)=O	0
+C1(CCc2ccc3c(c12)CCN(CC3)C(OCC)=O)O	74
+c12CCNCCc1ccc3CCC(OC)c23	215
+C1NCCc2ccsc2C1	215
+C(C)OC(N1Cc2c3cccc([N+]([O-])=O)c3n(C)c2CC1)=O	144
+C(C)OC(N1Cc2c3cc(C)ccc3n(CC4CO4)c2CC1)=O	339
+c1(cccc(OC)c1)NCC(Cn2c3CCN(Cc3c4cc(C)ccc24)C(=O)OCC)O	843
+C(C)OC(N1Cc2c3c(c(N)ccc3)n(C)c2CC1)=O	13
+C(C)OC(OCC)c1ncc(C(OCC)=O)c(n1)C	5561
+CCOC(OCC)C(NCc1cccc2cccnc12)C	249
+c12c3c(cccc3)ncc1nc(CCC)n2CCCC=O	598
+c1cc(ccc1C)NC(CC2(NC(Nc3cccc(c3)OC)=O)C(N(c4ccccc24)CC=O)=O)=O	598
+C(C)OC(OCC)CN1c2c(cccc2)C(CC(Nc3ccc(cc3)C)=O)(NC(Nc4cccc(c4)OC)=O)C1=O	33
+O(CC)C(OCC)CNCCCCCCNCc1ccc(cc1)C=C	42
+c1ccccc1COCC(CC=C)OCC=O	598
+ClC(Cl)=CCOc1cc(CC)c(c(c1)CC)OCCCCOCC=O	598
+Clc1cc(cc(Cl)c1OCc2ccccc2Cl)OCC=O	598
+CCOC(OCC)Cn1c(Nc2c(C)c(cc([N+](=O)[O-])c2)C)cc(-c3cnccc3)n1	781
+C[Si](C)(C)C#Cc1ncc(C(OCC)OCC)cc1	961
+O(CC)C(OCC)c1ncc(c(C)n1)C(O)=O	6
+CN(C)CCNC(=O)Cc1[nH]cc(C)c1C(=O)OCC	9
+c1(-c2ncccc2)cc(c[nH]1)C(=O)OCC	1866
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2nc(ncc2C(OCC)=O)Cl	40
+C(C)OC(c1c(nc(Cl)nc1)Nc2cccc3n(ccc23)C)=O	73
+C(Nc1nc(Cl)ncc1C(=O)OCC)c2cnn(C)c2	40
+C(C)OC(c1c(nc(Cl)nc1)NC(C)c2ncc(cc2)F)=O	40
+CC(C)(C)CCN1N=C(C(=C(C(=O)OCC)C1=O)O)c2sccc2	3368
+CC(C)(CCN1N=C(c2sccc2)C(=C(C(=O)OCC)C1=O)O)CC	3368
+c1(N)c(cc(c(O)c1C)C(=O)O)C#N	6
+c1(cnc2cc(ccc2c1Cl)F)C(=O)OCC	120
+Oc1c(cnc2ccc(C)nc12)C(=O)O	6
+C(C)OC(c1c([nH]c(-c2cc(ncc2)C=Cc3cccnc3)c1)N)=O	2407
+n1c(C=Cc2cccnc2)cc(-c3cc4c(ncnc4[nH]3)O)cc1	5562
+c12c(c(I)ccc1)ncc(c2O)C(=O)O	6
+Cc1cc(cc(C)c1Cl)OCCCc2c(C(=O)OCC)[nH]c3c(Br)cccc23	20
+C(C)OC(=O)c1c(N(C)CC)nc(cc1C)Cl	43
+c1ccccc1C=Nc2cc(c(cc2)O)C(=O)OCC	457
+C(C)OC(c1cc(ccc1Br)O)=O	5
+c1c(-c2ccc(cc2C(OCC)=O)NC(C)=O)c(ccc1)Br	11
+C(c1c(cccc1C)O)(=O)O	6
+n1c(NC(C)c2ncc(cc2)F)c(cnc1Cl)C(=O)O	6
+n1c(Nc2cccc3n(ccc23)C)c(cnc1Cl)C(=O)O	6
+CCc1c(C(=O)O)con1	6
+C1CC1COc2c(ccc(F)c2)-c3ncnc4c(C(=O)OCC)c([nH]c34)C	3369
+C(C)OC(c1c2c(c(ncn2)Cl)[nH]c1C)=O	1268
+Clc1cc(ccc1)Nc2ncc(c3c2ccn3CC)C(=O)OCC	1504
+CC(C)(C)OC(=O)Nc1sc2ccc(nc2c1C(OCC)=O)Cl	2408
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3cc4c(c(n[nH]4)C(=O)OCC)cc3	1505
+C(O)c1c2ccc(cc2oc1)F	5563
+C1COCCN1C(=O)c2n3c(c(C(=O)OCC)c2C)cccn3	147
+CN(C)C=CC(=O)c1cc(c[nH]1)C(=O)OCC	2409
+CCOC(c1cc([nH]c1)-c2n[nH]c3c2cccn3)=O	2410
+C1CC1COc2c(cc(C(=O)C)cc2)-c3c4[nH]cc(C(OCC)=O)c4ncn3	3369
+CCOC(c1c(c(Br)[nH]c1)C)=O	653
+c1c(C)ccc(-c2cc(nn2-c3cccnc3)C(=O)O)n1	6
+c1c(C)ccc(-c2cc(nn2-c3ncccc3)C(=O)O)n1	6
+n1c(cc(C)n1CCCC)C(=O)N	314
+c1c(C(=O)C)ncnc1Cl	1867
+c1c(c(N)c(C)c(F)c1C(=O)O)F	6
+c1ccccc1C(Nc2c(O)cc(c([N+](=O)[O-])c2)C(=O)OCC)=O	50
+O=S1(=O)CCCC(C1)c2c3cc(cc(c3[nH]c2)C(OCC)=O)Br	5564
+CC(C)C1CC(CCS1)c2c3cc(cc(c3[nH]c2)C(OCC)=O)Br	5565
+c1cc(ccc1COc2cc(C(OCC)=O)c(-c3cc(OC)ccc3F)cc2)OC	139
+C(C)OC(c1cc(ccc1-c2cc(OC)ccc2F)O)=O	11
+c1ccccc1COc2ccc(O)c(c2)C(=O)OCC	139
+CC(C)(C)OC(=O)N1CC2CN(CC2C1)c3cc(C(OCC)=O)cnc3	244
+[N+]([O-])(=O)c1cc(c(-n2c(C)cc(n2)C(=O)OCC)cc1)C(=O)N3Cc4ccccc4CC3CO	30
+c12c(c(ncn1)O)cc(CC)s2	1868
+c1cc(cn2C(c3c(N=c12)sc(CC)c3)=O)C(=O)N	3370
+Cc1c(cc2CCCCC(c2n1)OC(C)=O)C(=O)OCC	174
+C(C)OC(c1cc2n(c1)ncc(C#N)c2Cl)=O	2411
+c1c2c(cccc2n(c1C(=O)OCC)Cc3ccc(c(c3)Cl)Cl)[N+]([O-])=O	962
+C(C)OC(c1cc2c(cc(C)cc2OCC3CO3)[nH]1)=O	72
+CC(C)(C)NCC(O)COc1cc(cc2c1cc(C(OCC)=O)[nH]2)C	122
+C(C)OC(c1cc2c(ccc(c2)C(=O)N)[nH]1)=O	216
+C1CC1(C(=O)Nc2cc3cc(C(=O)OCC)[nH]c3cc2)c4cc5OCOc5cc4	33
+c1cc(ccc1)-n2c3ccc(cc3cc2C(=O)OCC)[N+]([O-])=O	3371
+c1(cc2c(ccc([N+]([O-])=O)c2)nc1O)C(=O)O	6
+c1c2c(ccc(c2)C(=O)N)[nH]c1C(=O)O	6
+C1CCC1COc2cccc3[nH]c(C(OCC)=O)cc23	126
+c1(c2cc(C(=O)O)[nH]c2ccc1)OCc3c4ccc(cc4oc3)F	6
+c1(c2cc(C(=O)O)[nH]c2ccc1)OCc3cocc3	6
+c1(C(=O)O)cc2c(cncc2Br)nc1	6
+FC1(F)CCN(CC1)c2cncc3ncc(cc23)C(=O)OCC	3372
+C(C)OC(c1n(c2c(c(Cl)ccc2N)c1)COC)=O	3373
+O=S(=O)(c1cccs1)Nc2c3n(COC)c(cc3ccc2)C(=O)OCC	2412
+CC(C)(C)c1ccc(cc1)Cn2c3c(cc2C(OCC)=O)cc(cc3)OC	190
+c12[nH]c(cc1cc(cc2N)OCCOC)C(=O)OCC	13
+c12cc(n(c1c(cc(c2)F)Br)C)C(=O)OCC	144
+c1c2cc(ccc2[nH]c1C(=O)O)OCCSC	6
+C(C)OC(c1cc2cccc([N+]([O-])=O)c2n1COC)=O	3374
+C(C)OC(c1cc2c(n1COC)c(N)ccc2)=O	13
+C(C)OC(c1cc2n(c1)ncc(C(=O)N)c2Cl)=O	1869
+CC1(C)C(C)(CCC1Nc2c3n(ncc2C(=O)N)cc(c3)C(OCC)=O)N	719
+Nc1c(C)c(c(cc1)C(=O)O)F	6
+c1([N+]([O-])=O)ccc(CO)nc1	194
+[N-]=[N+]=Nc1c(C)c(c(cc1)C(=O)OCC)F	1870
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(-c4ccccc4)n5nc(ccc5n3)C(=O)OCC	2413
+C(C)OC(c1cccc(F)c1CBr)=O	29
+CCOC(=O)c1cccc(F)c1COc2cccc(F)c2	22
+Cc1cccc(C)c1COc2c(C)c(ccc2)C(=O)OCC	139
+n1cccc(-n2cc(c(Cl)n2)C(=O)O)c1	6
+n1n2c(sc1CC)nc(C(=O)O)c2	6
+C(C)OC(c1c(COC)c2n(c1)ncc(C#N)c2Cl)=O	5566
+C(C)OC(c1cnc(c2c(COc3cc(ccc3C)NC(c4ccc(NCCO)c(Cl)c4)=O)csc12)N)=O	1871
+c1n(C)c2c(cnc(Cl)c2n1)C(=O)O	6
+Clc1cc(ccc1)Nc2ncc(c3c2ncn3C)C(=O)OCC	3375
+c1(cc(ccc1)Nc2ncc(c3c2ncn3C)C(=O)OCC)Br	3375
+c1(C(=O)O)cnc(c(C)c1)Nc2ccc(C)nc2	6
+c1(NCCO)c(Cl)cc(C(Nc2cc(c(C)cc2)OCc3c4c(sc3)c(cnc4N)C(=O)O)=O)cc1	6
+CCOC(c1c(c2CC(CCc2nc1)O)O)=O	100
+C(C)OC(c1cc2c(cncc2Br)nc1)=O	3376
+c1cc(cc2ncc(cc12)C(=O)OCC)NC(c3c(cccc3)Br)=O	50
+c1cc2c(cc1I)ncc(C(=O)OCC)n2	3377
+C(C)OC(c1cnc2c(ccc(N)c2)n1)=O	0
+NNC(=O)c1cncc(-c2cnc(NC(NCC)=O)cc2Br)c1	1872
+C(=O)(c1cnn(-c2[nH]c3cc(c(Cl)cc3n2)Sc4cc(C)ccc4)c1)O	6
+C[Si](C)(C)CCOCN1C(c2c(N=C1n3ncc(C(OCC)=O)c3)ccc([N+](=O)[O-])c2)=O	5567
+C(=O)(c1cnn(C)c1)O	6
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)OCC)n2	187
+C1COCCN1c2nn3cc(ccc3n2)NC(c4n(ncc4C(=O)OCC)C)=O	510
+CN(C)c1nn2c(n1)cc(cc2)NC(=O)c3c(cnn3C)C(=O)OCC	187
+c1(cc(ccc1)OC)-c2nc3n(ccc(c3)NC(c4c(cnn4C)C(=O)OCC)=O)n2	187
+c1cc(ccc1)-c2nc(CCNC(=O)c3n(C)ncc3C(OCC)=O)c(C)o2	81
+FC(F)(F)c1cc(ccc1)-c2nc(on2)Cn3cc(C(=O)OCC)cn3	2383
+c1(cccc(-c2csc(Cn3ncc(c3)C(=O)OCC)n2)c1)Br	963
+C(C)OC(c1cnn(CC(N)=S)c1)=O	3378
+c1c2c(ccc1O)c(cs2)C(=O)OCC	5
+c1(nccc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)n1)N	511
+c1(cc(Oc2ccccc2[N+]([O-])=O)cc3n(C)c(cc13)C(=O)OCC)Cl	46
+O=S(=O)(Nc1ccc(Cl)c2cc(n(COC)c12)C(OCC)=O)c3cccs3	2412
+c1cc(ccc1Oc2ccc(c3cc(C(=O)OCC)n(C)c23)Cl)[N+]([O-])=O	551
+c1c2n(C)c(cc2c(cc1)O)C(=O)O	6
+c1cc(ccc1C(c2n(CC)c(C(OCC)=O)cc2C)=O)CCl	1873
+CC(C)(C)NC(=O)c1nnc2cnccn12	1506
+O=Cc1ccc2ncc(n2c1)C(=O)OCC	5568
+CCc1cccc(CC)c1NC(=O)N2Cc3[nH]nc(c3C2)C(OCC)=O	326
+c1cc(ccc1-c2nc(C(=O)OCC)n3ccccc23)F	5569
+c1c(cnc(c1)NC(c2nc(CC)cc(Br)c2)=O)F	5570
+C(C)OC(c1nc2n(cc(-c3[nH]nnc3)cc2)c1)=O	3235
+C1CN(CCN1)c2nn3cc(C(=O)OCC)nc3cc2	212
+CC(C)NC(c1[nH]c(C(=O)OCC)nc1)=O	312
+c1(nc(ccc1C)Cl)C(Nc2c(c(ncc2C)C(=O)OCC)C)=O	187
+C(C)OC(c1ncc(C)c(N)c1C)=O	0
+C(C)OC(=O)c1nc(Cl)c(CC)[nH]1	844
+n1n(C)c(CC)cc1C(=O)O	6
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5cc(C(OCC)=O)nn5ccc4	56
+C1CC1c2nc(Nc3c(nnc(Cl)c3)C(OCC)=O)ccc2	845
+CC(C)(O)c1cccc(n1)Nc2c(nnc(c2)Cl)C(OCC)=O	845
+CC(C)(c1nc(ccc1)Nc2c(nnc(c2)Cl)C(OCC)=O)C#N	845
+CC(C)c1c(nc(cc1)Nc2c(nnc(c2)Cl)C(OCC)=O)OC	845
+CN(C)c1c(ccc(Nc2c(nnc(Cl)c2)C(OCC)=O)n1)C	845
+FC(F)(F)c1cccc(Nc2c(nnc(c2)Cl)C(OCC)=O)n1	845
+c1(nc(Nc2c(nnc(Cl)c2)C(=O)OCC)cc(C)c1)C	845
+c1ccc(nc1Nc2cc(nnc2C(=O)OCC)Cl)OCC	845
+c1c(c(cc(-c2noc(C(=O)OCC)c2)c1)C)OCCc3cc4C(=O)N(c5c(N(c4nc3)CC)nccc5)C	126
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(c3sc(cc3)C(=O)OCC)C)C	20
+C(CCCCCCCCCC(Nc1sc(C(=O)OCC)cc1)=O)CCCCC	2414
+C(C)OC(c1sc(cc1)N)=O	2415
+c1(c2cc([N+]([O-])=O)ccc2[nH]n1)OC	5571
+CC(C)(O)Cn1c(COCC)nc2c1c3ccccc3nc2	5572
+c1cc(ccc1C)C=C(OCC)C(OCC)=O	5573
+C(C)OCc1n(CC#C)c2c(n1)c(nc3c2cccc3)Cl	5574
+C(C)OCc1n(c2c(n1)c(nc3c2cccc3)Cl)Cc4cc(C)no4	5575
+C(C)OCc1n(c2c3c(cccc3)nc(N)c2n1)Cc4cc(C)no4	3379
+c1ccccc1NC(NCCCNn2c3c(c(N)nc4c3cccc4)nc2COCC)=O	282
+C(C)OCc1n(NCCCNC(NCC)=O)c2c(c(N)nc3CCCCc23)n1	5576
+CN(C)CC=CC(Nc1cc2c(ncnc2cn1)Nc3ccc(Cl)c(c3)C#C)=O	5577
+c1(cc(cc(C)c1OCOCCOC)C=CC=CC(OCC)=O)C	5578
+CCOP(OCC)(=O)CCCN1C(=O)C(=C(O)c2ncc(cc12)Cc3ccc(cc3)F)C(OCC)=O	3380
+CC(C)(C)OC(N(C1CCN(CC1)Cc2ccccc2)CCP(OCC)(OCC)=O)=O	23
+O(CC)P(OCC)(=O)CCc1ccnc(C=2Sc3c(ccc(Cl)c3)C(N=2)=O)c1	2416
+O(CC)P(OCC)(COCCCONc1nc(nc(Cl)c1NC=O)NC=O)=O	3381
+C(C)OP(OCC)(=O)COCCCOn1c2c(nc1)c(N)nc(N)n2	5579
+C(C)OP(OCC)(=O)COCCCOn1c2c(c(N)nc(NC=O)n2)nc1	1095
+C(COn1cnc2c(ncnc12)N)OCP(=O)(OCC)O	228
+C(C)OP(OCC)(=O)COCCOn1c2c(nc1)c(ncn2)N	1095
+c1ccccc1COC(CC(C)(C)c2c(ccc(P(OCC)(=O)CP(OCC)(OCC)=O)c2)O)=O	283
+C1CC(CCN1Cc2ccccc2)=Cc3ccc(cc3)C#N	846
+C(C)OP(OCC)(c1cc2c(cc1)c(C(N)=O)nn2CC(=O)N3CC(CC3C(NCc4c(F)c(ccc4)Cl)=O)F)=O	247
+CCOP(OCC)(c1cc(-c2sccc2P(OCC)(OCC)=O)sc1)=O	3382
+O=C(OCC)C(C)=Cc1cc(Br)cc2CCCN(C)c12	1096
+O=C(OCC)C(C)=Cc1c(ccc(c1)Br)N2C(C)CCC2	1096
+c1cc(ccc1C=C(C)C(OCC)=O)C	1096
+c1cc(ccc1C=C(C)C(OCC)=O)CCc2n3cncc3ccc2	1096
+c1cc(ccc1CC2=C(n3c(ncn3)N(C2=O)C4CCC(CC4)=CC(=O)OCC)CCC)-c5ccccc5C#N	1874
+CC(C)(C)OC(=O)NC(CCc1ccc(cc1)OCCCCCCC)(C)C=CC(=O)OCC	1875
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2c(C=1c3ccccc3)cc(C=CC(=O)OCC)cc2)=O	1097
+CC(C)(C)[Si](C)(C)OCC1C(CC)CC(C1)=CC(OCC)=O	1874
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)C=CC(=O)OCC	1875
+CC(C)N1CCCc2cc(ccc12)C(C)=CC(=O)OCC	3383
+CC(C)Oc1nn(c(C=CC(=O)OCC)c1)Cc2ccc(cc2Cl)Cl	2417
+C1C(C)CC(CC1=CC(OCC)=O)C	1874
+FC(F)(F)c1ccc(cc1)CCC(OCC)=O	5580
+FC(F)(F)c1ccc(nc1)-n2cc(C=CC(=O)OCC)c(CCC)n2	3384
+FC(F)(F)c1cnc(cc1)-n2nc(C(C)C)c(c2)C=CC(=O)OCC	3384
+O(CC)C(C=Cc1c2c(nn(C)c2)c(F)cc1)=O	1097
+O(CC)C(C=Cc1ccc(cc1F)OC)=O	1097
+COc1c(OC)c(cc2cc(ccc12)C=CC(OCC)=O)OC	1097
+c1ccccc1CCC(=CC(=O)OCC)C	1874
+c1cc(ccc1)COc2ccc(C=CC(=O)OCC)cc2OC	1097
+c1ccccc1-c2cn(Cc3cc4c(cc3)cc(cc4)OCc5ccccc5)cc2C=CC(OCC)=O	3385
+c1cc(ccc1)S(=O)(=O)N2CCN(C(OCc3ccccc3)=O)CC2CCC=CC(=O)OCC	1875
+c1cc(ccc1F)C(c2ccc(cc2)F)=CC(OCC)=O	5581
+C1CC(CCC1)(c2ccc(cc2)F)C=CC(OCC)=O	1875
+c1cc(ccc1Cn2cc(-c3ccccc3)c(C=CC(OCC)=O)c2)OCc4ccccc4	3385
+c1ccccc1C(CC)Oc2c(cc(C(C)=CC(=O)OCC)cc2)[N+]([O-])=O	3383
+c1ccccc1CCOc2ccc(Cl)cc2C=CC(OCC)=O	1097
+c1ccccc1COc2cc3c(c(nn3C4OCCCC4)C=CC(=O)OCC)cc2	2417
+c1ccccc1Cn2nc(cc2C=CC(=O)OCC)OCCC	2417
+O(CC)P(OCC)(CCCN)=O	18
+O(CC)P(OCC)(CCC=1C=C[N+](C(=C=[N-])C=1)=O)=O	1269
+c1n(c2c(c(ncn2)N)n1)OC(COCP(=O)(OCC)O)CO	228
+C(C)OP(OCC)(=O)COCCOn1c2ncnc(Cl)c2nc1	1876
+CC(C)(C)OC(=O)NC1CCC(CC=Cc2c3c(ccc(OC)c3F)ncc2Cl)OC1	3386
+c1cc(ccc1CP(OCC)(=O)O)OCC2(CCCCC2)C	228
+n1(nc(c2ccc(P(=O)(O)OCC)cc12)C(=O)N)CC(N3CC(F)CC3C(NCc4cccc(Cl)c4F)=O)=O	228
+C(C)Oc1cc(cc(OCC)c1-c2ccc(cc2)F)CN3CCC4(CC3)CC(=O)N(c5ccc(cc5)C#N)C4	654
+O(CC)c1cc(cc(OCC)c1-n2cccc2)CO	217
+O=S(=O)(CC)c1ccccc1C(=O)C	720
+C(Sc1ccccc1CO)C	98
+CC[Si](CC)(CC)OC(CC)(CC)CCC=C(CC)c1cc(Br)cs1	655
+[N+]([O-])(c1cc(cc(c1N)CC)[N+]([O-])=O)=O	5582
+CC(C)(C)OC(N1CCC(CC1)COC2CC2)=O	3387
+O=Cc1cc(CC)cc(C(=O)O)c1	5583
+C1CC1Oc2c(cc(cc2)Br)Cl	3387
+c1ccccc1-c2c(CC)nc3c(c2Cl)cc(F)cc3	5584
+C1N(CC1N2CC(NCC2)=O)Cc3sc4nc(-n5c6ccccc6nc5CC)nc(N7CCOCC7)c4n3	1098
+C1N(CC1(C)O)CCc2nc3c(N4CCOCC4)nc(-n5c6c(nc5CC)cccc6)nc3n2C	1098
+C(C)c1c(cccc1)-c2c3n(C)c(Cl)nc3ccc2	1088
+c1(nnc(Cl)c(CC)c1C)NN	599
+c1c(c(c([N+]([O-])=O)cc1)NC(C)=O)CC	31
+C(C)c1c(cc(Oc2c(cc(C(N3CC(=O)NCC3)=O)cc2)F)c(c1)OC)F	3388
+C(C)c1c(cc(Oc2c(F)cc(C(=O)O)cc2)c(c1)OC)F	5585
+C(C)c1c(cc(c(O)c1)Oc2c(cc(C(N3CC(=O)NCC3)=O)cc2)F)F	5
+O=C1CN(C(=O)c2cc(c(cc2)Oc3cc(F)c(CC)cc3OC)F)CCN1C	782
+C(C)c1c(cccc1)-c2cccc3nc(n(C)c23)Nc4c(C)cc(cc4OC)Br	1494
+C(C)c1cc(Br)cc([N+]([O-])=O)c1	480
+Nc1cc(cc(CC)c1)Br	0
+C(C)c1cc(cc(CC)c1-c2cc(COc3ccc4c(OCC4CC(O)=O)c3)ccc2)OCCCS(=O)(=O)C	4
+C(C)c1ccc(c(c1)F)CNC(CC#N)=O	248
+C1COCCN1c2c(F)ccc(c2)CC	79
+C(C)c1ccc(CN)c(c1)F	107
+c1cc(ccc1OCC(c2ncc(cc2)CC)O)C=O	8
+FC(F)(F)c1ccc(cn1)CCn2c3c(CN(CC3)C)c4c2ccc(CC)c4	3389
+C1C(C(CN(C(=O)Nc2cccc(CC)c2)C1)C(OCC)=O)=O	326
+Cc1c(cccc1)-c2c3c(nc(Cl)n2)CCN(C3)C(Nc4cc(CC)ccc4)=O	326
+NC(=S)Nc1cccc(CC)c1	1099
+FC(F)(F)Oc1ccc(cc1)-n2nc(-c3ccc(cc3)CCCNC(=O)NC(Nc4ccccc4CC)=S)nc2	3390
+c12n(c(nn1)CC)-c3c(cc(OC)cc3)NC2=O	5586
+O(C(CCC1(c2ccc(OC)cc2N(C1=O)c3c(cccc3)F)NC(=O)c4cc5c(cn4)cccc5)=O)C	2418
+C1CN(CCN1CCCCC23c4c(NC2=O)cccc4CCC3)C5c6c(cccc6)CCCC5	28
+C(C12C(=O)Nc3cccc(CCC1)c23)CCCN4Cc5c(CC4)c6cc(OC)ccc6[nH]5	28
+C(C12C(=O)Nc3cccc(CCC1)c23)CCCN4Cc5c(CC4)c6c(ccc(O)c6)[nH]5	5
+C(C1=C(N2C(=O)C(NC(=O)Cc3c(cccc3)CN)C2SC1)C(O)=O)(Sc4nnn[nH]4)CC(=O)O	18
+c1([N+]([O-])=O)ccc2c(C(=CC(C)(COC)O2)C(=NC#N)NC)c1	5587
+C1CC1S(=O)(=O)NC(C2(CC2C=C)NC(=O)C3CC(O)CC3C(N(C)CCCCC=C)=O)=O	344
+C(C1C(CC(O)C1)C(=O)N(CCCCC=C)C)(=O)NC2(CC2C=C)C(=O)O	3
+C(NC1(CC1C=C)C(=O)OCC)(C2CC(CC2C(=O)N(CCCCC=C)C)OCOCC)=O	433
+C(O)C1CC(CC1CC)=O	86
+C1CCCC(C1CBr)C(NCC#N)=O	552
+O=S(=O)(N)OCC1CC(CC1OC(C)=O)n2c3ncnc(NC4c5ccccc5CC4)c3cc2	2419
+C(C)(=O)NC1CC(C(=O)N)CCC1	327
+CC(C)(C)OC(NC1CCC(CC1O)C(=O)OC)=O	3391
+CC(C)(C)OC(=O)n1cc(-c2c(OCC3C(C3)c4ncc(cc4)OC)nc(C)nc2)cn1	2420
+C1C(CCC(=C1)CCCCC)CO	21
+C1C(CO)CCC1CC	95
+C1CC1C=C(C(N2CCCC2Cn3c4c(c(n3)-c5c(F)cc(cc5)Oc6cccc(F)c6F)c(N)ncn4)=O)C#N	847
+C12CC3CC(C1)CC(C2)(C3)NC(c4ccc(nc4SCCC)N5CCCC(C5)CC(OC)=O)=O	43
+FC(F)(F)Oc1ccc(cc1)CCNc2cc(N3CC(CCC3)CC(=O)OCC)nc(n2)OC	54
+C1CC1C(N2CCC(C2)CC(OCC)=O)=O	58
+c1c(-c2cc(F)c(cc2)C#N)nc(N)nc1N3CC(C(=O)O)CCC3	198
+C1(CCC(C(=O)O)CN1c2cc(-c3cc(F)c(cc3)C#N)nc(N)n2)C	5588
+CC(C)(C)OC(=O)N1C(C)CCC(C1)C(=O)OC	23
+FC(F)(F)c1nc(-c2cccc(C(=O)N3CC(N(c4ccc(C#N)cn4)CC3)C(=O)OC)c2)no1	30
+O=S(=O)(C)NCC1COCc2n1c3c(c(nc4c3cccc4)N)n2	111
+C(OCC)(Oc1cc(C)c2c(B(OC2CC(=O)O)O)c1)=O	644
+Oc1nc2c(C)cc3c(c2cc1)OC(CCCl)C3	1507
+CN(C)CCOCCCC1Sc2c(C)c(OCOC)c(c(C)c2O1)C	481
+c1cc2c(CCC2C(=O)O)cc1F	270
+CC(C)(C)OC(NC1Cc2ccccc2C1Cc3cc(Cl)c(cc3)Cl)=O	37
+C(C1c2ccccc2C(=O)N1)COC	21
+c1cc(ccc1S(=O)(=O)CCC2NC(c3ccccc23)=O)C	5589
+C(C1c2ccccc2C(=O)N1)CO	88
+c12c(ncnc1nc[nH]2)NC(C)C=3N=C4N(C(=O)C=3c5cc(F)ccc5)C(=CS4)C	3392
+c1(cc(F)ccc1)C=2C(N3C(=CSC3=NC=2C(C)Nc4ccnc5nc[nH]c45)C)=O	5590
+c1c(Cl)c(ccc1)C2=C(C(N=[N+]=[N-])C)N=C3N(C(C)=CS3)C2=O	1100
+[N-]=[N+]=NC(C)C=1N=C2N(C(=O)C=1c3cc(F)ccc3)C(=CS2)C	1100
+C12C(CCCC1)CC(CC2)(O)C#CCC=C	5591
+C1CC(CCC12CC2)COc3c(C(=O)OCC=C)cnc(Cl)n3	5592
+C1CCCCC1n2c(CCCOc3ccc4N(C(=O)C=Cc4c3)CC=C)nnn2	5593
+C1CCCN1c2cc(C)nc3c2ccc(OCC=C)c3	220
+C1COCCN1C(C)(C)C(c2ccc(cc2)SCC=C)=O	5594
+CC(C)(C)Cc1coc2cc(OCC=C)ccc12	220
+CC(C)(C)OC(=O)N1CCN(c2c(F)cc3c(N(C=C(C(OCC=C)=O)C3=O)C4CC4)c2OC)CC1C	5595
+CC(C)(C)OC(N1CCN(CC=C)C(=O)C1)=O	3393
+CC(C)(C)OC(N1CCC(CC1)(C(=O)OC)CC=C)=O	5596
+CC(C)(C)OC(N1CCC(C(O)C1)c2ccc(cc2)OCC=C)=O	220
+CC(C)(C)OC(NC(COCC=C)C(O)=O)=O	848
+CC(C)(C)[Si](C)(C)OCC1OC(N2C=C(C(NC2=O)=N)I)CC1OCC=C	848
+CC(C)(C)[Si](C)(C)OCc1c2N(CCC(c2ccc1)OCC=C)CC	848
+CC(C)(C)c1c(OC(C(C)(C)C)=O)ccc(c1)OCC=C	220
+CC(C)(C)c1cc(cc(C(C)(C)C)c1OC(C)=O)OCC=C	220
+CC(C)CC(C(C(=O)OC)O)C(=O)OCC=C	5597
+CC(C)CCC(COCC=C)C(C)O	848
+CC1(C)CC(CC(C)(C)N1CC=C)N2C(=O)c3ccccc3C2=O	1863
+CN(C)C=NS(=O)(=O)c1c(Cl)ccc(C(=O)c2ccc(OCC=C)c(Cl)c2Cl)c1	220
+C(CN(C)c1ccccc1CC=C)=C	2421
+COc1cccc(c1)C2(CC)C(N(CCCC2)CC=C)=O	3393
+Cc1cc(cc(C)c1Oc2nc(C)cc(NC(CC)CC)c2NCC=C)C	5598
+Cc1ccccc1-c2c(Cl)cccc2OCC=C	220
+Clc1c2c(ccc(c2)OCC=C)ccn1	220
+Clc1cc(c(C(=O)OC)cc1)OCC=C	220
+FC(F)(F)C(N1C(Cc2cc(c(cc2C(C)C1)Br)OCC=C)C)=O	220
+FC(F)(F)C(=O)NC(COCC=C)c1ccccc1	848
+FC(F)(F)C(=O)N1CC(C)c2c(cc(OCC=C)c(Br)c2)CC1	220
+FC(F)(F)C=1N(C(N(c2ccc(c(c2)C(=O)OC(C)(C)C(OCC)=O)Cl)C(=O)C=1)=O)CC=C	5599
+FC(F)(F)c1c(c(nc(N(CC=C)Cc2ccccn2)c1)Cl)Cl	5600
+CN(c1cc(ccc1)O)CC=C	2421
+c1([N+]([O-])=O)cc(C#N)ccc1NCC=C	5601
+O=Cc1cc(c(cc1Cl)OCC=C)Br	220
+O=S(=O)(N1CCN(CC1)C)c2cc(-c3nc(c4c(c(CCC)nn4C)n3)O)c(cc2)OCC=C	220
+c1c(cc(C(=O)O)cc1N2CCCC2=O)OCC=C	220
+c1(C=O)cc(c(cc1)OCC=C)Cl	220
+c1([N+]([O-])=O)cc(OCC=C)c(cc1)C#N	220
+c1(c2cccc(c2nn1CC=C)F)-c3ccc(OC)cc3OC	5602
+O(CC=C)c1c(Cl)cccc1	220
+c1(cc(Cl)c(cc1Br)OCC=C)F	220
+c12c(ccc(OCC=C)c1)cc(cc2)OC	220
+C(Cn1c(nc2c1cccc2)-c3c([N+]([O-])=O)c(Cl)ccc3)=C	5603
+C1CN(CCN1CC=C)c2nc3c(n2)ccccc3	1863
+c12c(n(CC=C)c(c1)C)c(nc(c2)C#N)N3Cc4c(cccc4)CC3	5604
+c1cc(c2c(c(C)co2)c1OCC=C)C(=O)c3sccc3	220
+c1(C)cc(cc(C)c1)OCC=C	220
+c1c(cccc1OC(=O)C)OCC=C	220
+c1cc(c(cc1I)C=O)OCC=C	220
+c12cc(ccc1[nH]cc2)OCC=C	220
+c1c2cccnc2ccc1OCC=C	220
+c1cc(ccc1)-c2c(-c3c(ccc(c3)F)OCC=C)cccc2	220
+c1ccccc1CCC(O)CC=C	5605
+c1cc(ccc1)COC(N2c3c(OC(COCC=C)C2)cccc3)=O	848
+c1cc(ccc1-c2ccccc2C)OCC=C	220
+c1cc(ccc1Br)CC=C	3394
+c1(C=O)ccc(c(c1)CC=C)O	5606
+c1cc(ccc1OCC=C)CCC(=O)OC	220
+c1cc(ccc1CCCBr)C(OC)=O	5607
+c1cc(ccc1Cc2cc(Br)ccc2Cl)CCOCC=C	848
+c1cc(ccc1CCc2oc3cccc(OCC=C)c3c2C)OC	220
+c1cc(ccc1COC(C)C(Cc2ccccc2)C(Cc3ccccc3)OCC=C)OC	848
+c1cc(ccc1CC=C)Cl	3394
+c1cc(ccc1Oc2ccc(cc2)C)OCC=C	220
+c1cccc(-c2c(Cl)cccc2OCC=C)c1Cl	220
+c1ccccc1C2C(C)N(C(=O)C(CC=C)CCCC)C(=O)O2	5608
+c1cc(ccc1)CCOCC=C	848
+c1ccccc1COc2cc(ccc2)C=CCOCC=C	5609
+c1cc(ccc1)N(CC=C)CC	2421
+c1cnn(c1C(=O)c2c(Cl)c(c(OCC=C)cc2)Cl)C	220
+o1c2cccc(c2c(c1CC)C)OCC=C	220
+C(CC(CC=C)(c1ccc(cc1)C(OC)=O)CO)=C	272
+C(C=C)C(CC=C)OCCCCCCCCCCOc1ccc(cc1)C(=O)O	1
+c1cc(ccc1C=CS(=O)(=O)Nc2c(S(=O)(=O)N(CC=C)CC=C)cncc2)Br	5610
+c1cc(ccc1)S(=O)(=O)CC=CC=CC(=O)OC	5611
+CN(CCNC(=O)c1ccccc1O)C(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC	93
+C(C=CCC=CCCCCC)C=CCC=CCCCCN	18
+C(C=CCC=CCCCCC)C=CCC=CCCCCN=[N+]=[N-]	600
+c1cc(ccc1S(=O)(=O)NCC=CCCCC(O)=O)Cl	2422
+C(CCCc1ccc(F)c(Br)c1)(OC)=O	783
+c1ccc(CO)cc1CCC(OC)=O	159
+C(OC)CCCc1cc(ccc1)Br	374
+C(=O)(O)C=Cc1cc2c(nccc2)cc1[N+]([O-])=O	127
+c1c(Oc2cnc(C)cc2)c(cc(c1)Nc3c4cc(ccc4ncn3)C=CCNC(C)=O)Cl	1475
+C(c1ccc(N)cc1C)CC(OC)=O	159
+C(C=Cc1ccc(nc1)N(C(C)=O)C)(OC)=O	3395
+C(c1ccc(cc1C)CO)CC(OC)=O	159
+c1(cc(ccc1C=CC(OC)=O)F)OC(CC)C	313
+c1cc(ccc1OCCN2CCOCC2)C=CC(CC(C=Cc3cc4[nH]ccc4cc3)=O)=O	964
+C(=O)(O)C=Cc1ccc2cc[nH]c2c1	127
+CCOC(=O)c1c2c(Cl)cccn2c(CCOCC)c1	5612
+Fc1c(ccc(-c2nn3c(Cc4ccc5nccnc5c4)cnc3nc2)c1)Br	5613
+C(C(Cl)Cc1cc(ccc1OC)F)=O	5614
+c12cc(OC)cc(OC)c1nccc2	5615
+c12c(CCCC1N(C)Cc3nc4cccc(-n5ccnc5)c4[nH]3)cccn2	5616
+c1cc(ccc1C)S(=O)(=O)N2CCOc3cc(ccc3OCC2)-n4cncc4	2423
+c1cc(ccc1-n2cncc2)NC(=O)C3N(CCN(c4cc(Cl)c(cc4)Cl)C3)CC	5617
+c1cc(ccc1-n2ccnc2)OC(C)CCN3CCOCC3	2423
+c1cc(ccc1-n2cncc2)OC3CCCN(Cc4ccc5c(c4)OCO5)C3	2423
+n1ccnc2c(nc(cc12)Cl)Cl	5618
+c1ccc2nccnc2c1[N+]([O-])=O	2424
+c1cc(C)cc2nccnc12	2424
+c1cc(ccc1)C(=O)c2ccc3nccnc3c2	2424
+C(O)CC1CCCOC1	237
+c1cc(ccc1[N+]([O-])=O)CCN2CCN(CC2)CCc3ccc(c(c3)F)C#N	61
+CC(C)=CCn1c(Cl)nc2N(C(N(CC(=O)c3c(OC)cccc3)C(=O)c12)=O)C	1833
+c1c(c(-c2csc(N)n2)ccc1)OC	354
+c1(ccccc1OC)C(=O)CN=[N+]=[N-]	3396
+CC(C)(C)OC(=O)N=C1NC(=O)N(CCC(F)CBr)C=C1	5619
+c1ccccc1CC(NC2=CC(N(CCC(CBr)F)C=C2)=O)=O	5620
+c1(nc(cs1)-c2nn3c(cccc3)c2-c4cc(F)ncc4)C	3338
+c1cc(ccc1OCC(=O)c2ccc(Br)s2)Cl	702
+c1cc(ccc1)C(C(=O)C)CC=Cc2ccccc2C	5621
+FC(F)Oc1c(-c2nn(cc2NC(=O)c3c4n(cccn4)nc3)CCC#N)cc(Cl)cc1	338
+O(CCOCCc1cccc2ccccc12)CCC#N	176
+C(CC(=O)O)Oc1c(F)cccc1	5622
+O(C(=O)CCN(CCNC(c1nc(c(nc1N)N)Cl)=O)C)C	1877
+C1C2CC3CC(CC1C3)C2NC(c4nc(N5CCN(CC5)CCC(=O)OC)ccc4)=O	1877
+c1(OC)n(c2nc(nc(N)c2n1)OC(CCC)C)CCCCCl	637
+c1cc(ccc1OCCCCN2CCOCC2)C#N	5623
+Clc1cccc(c1)-c2c(C(=O)N)sc(-n3cnc4c3cc(cc4)OCCCCCl)n2	8
+N1(C(Nc2c(ccc(OCCCCCl)c2)CC1)=O)C	8
+N1c2c(ccc(OCCCCCl)c2)CCC1=O	8
+O=S1(=O)c2ccn(CCCCCl)c2C(=O)CN1C	1878
+n1c2c(n(CCCCCl)c1)cccc2	656
+c1cc2n(CCCCCl)nnc2cc1	5624
+c1cc(ccc1OCOC)C2(COc3c(C2c4cccc(c4)OCCCCCl)ccc(OCOC)c3)C	8
+c1cc(ccc1OCCCCCl)Cn2c(nc3c2nc(nc3N)OCCCC)OC	8
+O(CCCOCCCBr)c1c(c2c(ccc(OCC(OC)=O)c2)cc1)C(C)=O	8
+C1CC1(c2cnc(cc2)Cl)C(=O)OCC	5625
+C(c1cc(c(C)cc1)N2C(=O)c3cc(ccc3N=C2)OCCCl)(=O)O	8
+C1CC(CCC1NC(C=Cc2cc(c(OCCCl)cc2)OC)=O)C	8
+C1CC1NC(=O)c2cc(c(cc2)C)N3C=Cc4c(cc(OCCCl)cc4)C3=O	8
+C1CCC1(c2c(OCCCl)cccc2)NC=3C(N(C=CN=3)c4cc(ccc4C)C(NC5CC5)=O)=O	5626
+C1CC1(c2ccccc2OCCCl)N=C3NC=CN(c4cc(C(NC5CC5)=O)ccc4C)C3=O	5627
+C1CC1NC(c2ccc(c(N3C(=O)c4cc(ccc4N=C3)OCCCl)c2)C)=O	8
+CC(C)(C)OC(=O)c1sc2c(c(C)c(OCCCl)c(n2)C)c1N	458
+CC(C)CN(CC(C)C)c1ccc(C2(CC2)C#N)cc1[N+]([O-])=O	1486
+FC(F)(F)c1cc(ccc1)N2CCN(CC2)CCCl	28
+FC(F)(F)c1ccc(c2n(C)c(C(OCC)=O)cc12)OCCCl	458
+c1(c(F)c(c(c(OC)c1)F)N2Cc3c(cc(nc3)Cl)C4(CC4)C2=O)OC	5628
+C1CC1(C#N)c2c(Cl)cc(cn2)Br	5629
+C1CC1(c2ccc(cc2)Br)C(O)=O	3397
+C1CC1(c2c3c(ncc2)cccc3)C(O)=O	3397
+c1c(Cl)c(OCc2cccc(F)c2)ccc1Nc3ncnc4cccc(OCCCl)c34	8
+O=C1c2ccccc2C(=O)N1OCCCl	5630
+c1cc(ccc1)COc2ccc(C3(CC3)C#N)cc2OCc4ccccc4	1486
+c1cc(ccc1-c2n(c3c(c2C#N)ccc(OCCCl)c3)CC)NC(=O)C4CC4	8
+c1cc(ccc1-c2nc(CC(=O)OC)co2)OCCCl	8
+c1cc(ccc1C2(CC2)C#N)C=C	1486
+c1cc(ccc1OCCCl)CCC(=O)OC	8
+c1cc(ccc1Cc2ccc(cc2)-c3occn3)OCCCl	8
+c1cc(ccc1C2C(C)(c3ccc(cc3)OCOC)CSc4cc(ccc24)OCOC)OCCCl	8
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCCl)c(OC)cc45)C)C	8
+c1cc(ccc1SCCCl)C=O	636
+C(COc1cccc(c1)Nc2cc(nc3ccccc23)C)Cl	8
+c1ccccc1-c2c(-c3ccccc3)n(cn2)CCCl	541
+C1CC1(C#N)c2ncc(cn2)C	5631
+C1CC1(c2cc3cccnc3cc2)C#N	1486
+O=S(=O)(c1c(C=2OCCN=2)c(c(cc1)C(=O)OC)Cl)C	5632
+c1ccccc1COC(=O)NCCBr	101
+C1CC2(CCN1C(OCC)=O)C(=O)c3ccc(F)cc3C2	5633
+C1C2CC3CC(CC1C3)C2NC(c4nc(ccc4)N5CCN(CC5)CCO)=O	28
+C1CC(Nc2cccc(OCCO)c12)=O	8
+C1CC1NC(=O)c2cc(-n3c(c(cn3)C(c4cccc(c4)OCCBr)=O)N)c(cc2)C	20
+O=S(=O)(N(CCO)c1c(C2CC2)cc3c(nn(-c4ccc(C)cn4)c3C(NC)=O)c1)C	1233
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(c(c(C)c4)OCCO)CC)c2)OC	8
+C1CN(CCO1)c2nc(Cl)nc3c2cc(cc3OCCO)Br	458
+c1cc(ccc1C#N)NC(C(=O)OCC)c2c(F)c(OC3CCN(CC3)CCO)cc(OCC)c2	28
+C1C(CN1CCO)Oc2nc3c(n2-c4ccnc(N)n4)cc(Br)cc3	28
+CC(C)(C)Nc1c2c(cc(n1)Cl)C=CN(CCO)C2=O	5634
+CC(C)(C)OC(=O)NC1CCN(CC1)CCO	28
+CC(C)(C)OC(NC(Cc1ccc(cc1)OCCBr)C(=O)OC)=O	20
+c1ccccc1C2=NC(C)(C)Cc3c2c4CC(C)(C)Oc4c(OCCO)c3	8
+c1c(OC)c(OC)ccc1CCN(C)CCO	28
+O=S(=O)(CCO)c1ccc(Cl)c(c1)[N+]([O-])=O	3398
+FC(F)(F)c1cc(F)ccc1OCCBr	20
+n1n(cc(I)c1)CCO	338
+C1N(C(CN(CCO)C1)=O)C	1508
+O1C2CN(CC2OC1)CCO	28
+c1c(c(OCCO)ccc1)Br	8
+S(c1nc2nc(C)cc(C)n2n1)CCO	2425
+C(O)CN1CC(C(CC1)N=[N+]=[N-])O	28
+c1(C)c(ccc(OCCO)c1)[N+]([O-])=O	8
+c1ccc(cc1NCCO)Nc2nc(c(cn2)F)Nc3cc4c(OCCO4)cc3	601
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCO)=O)O	28
+c1cccc2C(=O)N(C(=O)c12)CCN(CC)CCO	28
+C(O)Cn1ccc2ccccc12	339
+c1c(OCCO)cc(c(OC)c1)OC	8
+c1c(ccc(OCCO)c1F)F	8
+c12c(cccc1)ccc(c2)OCCO	8
+N1(C(=O)C=CC(Br)=C1)CCO	5635
+c1ccccc1NCCO	601
+c1cc(ccc1)OCc2nn(CCBr)c(C(OCC)=O)c2	2426
+c1cc(ccc1-n2cc(nc2)CNC(c3sc(cc3)Cl)=O)N4C(C(=CC=C4)OCCO)=O	5636
+c1cc(ccc1OCCO)Br	8
+c1cc(ccc1CC)Cc2c(Cl)cc(c(Br)c2)OCCO	8
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3c4ccc(OCCO)cc4CCC3)C(C)C	8
+c1cc(ccc1N(C)C)-c2nc3c(ccc(OCCO)c3)nc2	8
+C1CN(CCN1CCO)c2ccc(cc2)[N+]([O-])=O	28
+O=S(=O)(N(c1c(c([N+]([O-])=O)cc(C)c1)N)CCO)c2ccc(cc2)C	1233
+c1cc(ccn1)C(Cn2c3c(c4c2ccc(c4)C)CN(CC3)CCO)O	28
+c1(Nc2c3cccc(c3ncc2C(CC)=O)OCCO)c(C)cccc1	458
+c1ccccc1-c2onc(OCCBr)c2	5637
+C(c1ccc(C(NC)=O)c(NCC)n1)CCCN	587
+c1cc(nc(CF)c1)C#CCCNC(=O)c2c(cccc2)Cl	93
+C(C)CC(=O)CC(OCCC#N)=O	3307
+Brc1cc(CCC#N)c(CCCO)s1	407
+C(CCOC(C)OCC)(=C)Br	3399
+c1cc(ccc1)[Si](c2ccccc2)(OCCC(=C)Br)C(C)(C)C	328
+c1ccccc1Nc2nc(C)cc(n2)COC	5638
+C=1(C(=O)NC(=O)C=1c2cc(NC(CCO)C)ccc2)c3c4ccccc4n(C)c3	231
+C(OC(=O)OCCC(=O)C)C	405
+Cc1c2nc(nn2c(C)cn1)CCc3ccc(O)c(NC(C)CCO)n3	1270
+c1cc(ccc1)COCCC(C)=O	149
+Nc1nc(CC(NC2C(=O)N3C(C(=O)O)=C(CSC23)COC(=O)N)=O)cs1	2427
+C(OC(CCC#C)=O)CCC	456
+COc1c(c(Cn2c3nc(nc(Cl)c3c(C#CCCC(=O)O)c2)N)ncc1C)C	5639
+c1c2c([nH]c1CCC(=O)O)c(F)cc(c2)Br	5640
+C(CC(=O)NOC1OCCCC1)C(OC)c2cc(C)c(F)cc2	293
+C(CCCCCC(OCC)=O)CCCCCCCCCO	27
+C1CC1c2nc(N3CCN(C(CCO)=O)C(C4CC4)C3)c(cc2N(C)c5ccnc(Cl)c5)C#N	10
+C1OC(CCC1)OCCC(=O)O	219
+c12c(F)cccc1C(CCO2)=O	214
+C(CC(=O)O)c1c(Cl)c(C(N)=O)c(cc1Cl)Cl	1079
+C(CC(=O)O)c1c(Cl)c(c(cc1Cl)Cl)C#N	1879
+C(CO)Cc1cccc(F)c1	21
+C(OC)(CCc1cccc(F)c1)=O	27
+c1([N+]([O-])=O)cccc(c1)CCCO	21
+C1CN(CCN1C)c2ccc3c(c2)c(O)c(c(N)n3)C#N	3400
+CN(C)c1ccc2nc(N)c(c(c2c1)O)C#N	3400
+CC(C)(C)OC(C(C1C(CC)CCN1)N2CCCC2C(=O)NC(CCSC)C(=O)OC)=O	188
+Cc1ccccc1-c2c(ccc([N+]([O-])=O)c2)C(=O)NC(CCSC)C(=O)OC	259
+FC(F)(F)c1cccc2c1CN(C2=O)C(C(OC)=O)CCSC	1880
+c1cc(ccc1-c2cc(ccc2C(NC(CCSC)C(OC)=O)=O)O)F	3401
+c1cc(ccc1)-c2cc(CBr)ccc2C(NC(CCSC)C(OC)=O)=O	259
+c1ccccc1-c2cc(ccc2C(=O)NC(CCSC)C(OC)=O)I	5641
+C=C(C)CCOc1cccc(NC(C)=O)c1	20
+c1c(OCCC(=C)C)c(Cl)cc([N+]([O-])=O)c1	20
+C(=O)(CC(O)CCCCCCCCCCC)OC	770
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(OC)=O	20
+C(CC(CC=C)OCCCCCCCCCCBr)=C	176
+C(C=C)C(CC=C)OCCCCCCCCCCOc1ccc(cc1)C(OC)=O	8
+FC(F)(F)C(=O)NCC(C)(C)Cc1cccc(c1)C#CC(CCC)(CCC)O	197
+c1cc(ccc1C(=O)O)OCCCCCCCCCCOC(CCC=C)CCC=C	1
+CC(C)(C)[Si](C)(C)OCC(CCCC)(CCCC)COC	19
+c1cc(ccc1)CONC(=O)C(CO)CCCCC=C	293
+C1CC(c2c1c(Cl)ccc2)=O	94
+C(CC(C(=O)OC)N)SC	27
+C(CC(N)C(=O)O)SC	3402
+C(C(OCC)=O)Cc1cc(ccc1O)CCCCC(=O)OCC	165
+O=S(=O)(OCCOCCOC(=O)CCCCCCCCCCCCCCCCCCCCC)c1ccc(cc1)C	36
+c1cc(ccc1Br)Cc2c(CC)n[nH]c2CC	3403
+c1(OC)c(nccc1C(CC)=O)OC	155
+c1ccccc1Oc2c(NC(=O)CCC)cc(Cl)cc2	5642
+CC(CCCC(=O)C)CCC	1101
+CC(C)(C)OC(N1c2cc(Cl)ccc2C(=Cc3cc(ccc3OC(CCC)(CCC)C(=O)OCC)Cl)C1=O)=O	1881
+CCCC(CCC)C(=O)N(C)C(C(OC)=O)CC=C	5643
+C(CCC)C(CCCC)CO	44
+O=S(=O)(C)OCCCCCCCCCC	7
+OB(O)c1ccc(c(F)c1F)CCCCCCCCC	1509
+C(CCCCOCCCCC#N)OCCCCC	176
+c1cc(ccc1NC(=O)C)CC(NC=2C(=O)NC(N(CCCC)C=2N)=O)=O	2428
+c1(c2nnc(c(Cl)c2cc(SCC)c1)C(=O)N)F	3404
+c1ccccc1C2=Cc3c(c(C(=O)OC)ncc3N(CC4CCCCC4)C2=O)O	1510
+c1cc(ccc1)C=2C(N(c3cnc(c(c3C=2)O)C(=O)OC)Cc4sccn4)=O	1510
+c1ccccc1CN2c3cnc(C(OC)=O)c(O)c3C=C(c4ccccc4)C2=O	1510
+c1cc(ccc1)C2=Cc3c(c(C(=O)OC)ncc3N(C2=O)C(C)c4ccccc4)O	1510
+C(C)CN(CCC)C(C(=NNc1ccccc1)C(C)=O)=O	5644
+O=S(=O)(c1cccc(c1)C(O)=O)NCCC(=O)OCC(N(CCC)CCC)=O	71
+c1(F)cc(cc(F)c1)CC(C(CNCc2cccc(OC)c2)O)NC(c3cc(cc(c3)C(=O)N(CCC)CCC)C)=O	14
+C(CC)N(CCC)CCCCN	51
+CCCN(CCC)CCCCN1CCc2c(ccc(C(OC)=O)c2)C1	61
+c1cc(ccc1CNCCCCN(CCC)CCC)C#N	42
+c1cc(ccc1OC)CN2C(N(C(C)=C(C2=O)[N+]([O-])=O)CCC)=O	5645
+C(CC)N1C(=C(C(NC1=O)=O)[N+]([O-])=O)C	2429
+C(CC)N1C(C(N)=C(N)NC1=O)=O	721
+CC(C)(C)OC(NCC(CNc1cc(c2c(CC(=O)N2CCC)c1)F)O)=O	843
+C(CC)N1C(Cc2c1c(F)cc(N)c2)=O	0
+C(CC)N1C(C(=C(N)NC1=O)N=O)=O	1882
+C(C)Cc1c(c(C(C)=O)ccc1OCCCCCOc2ccc3c(OC(CC3=O)C(O)=O)c2CCC)O	3
+Cc1n(-c2cn(CCC)nc2)c3cc(Cl)ccc3c1Sc4cccc(c4)CC(OCC)=O	1865
+FC(F)(F)c1ccc(cn1)Nc2ccc(-c3cc4CCC(CC(=O)OCC)(C(c4cc3)=O)C)nc2	3405
+C(CC1(C(=O)c2ccc(cc2CC1)-c3ccc(N)cn3)C)(OCC)=O	13
+Clc1cccc(c1)COc2cc3OC(C=C(CC(N)=O)c3cc2)=O	657
+C1CN(CCN1Cc2ccccc2)C3C(CCCCC3)CC(OC)=O	85
+C(CC1CCc2cc(ccc2O1)NC(OCC)=O)C#N	90
+C(CC1CCc2cc(N)ccc2O1)C#N	0
+N1(C(=O)C)c2cc(C)cc(C)c2C(CCC(=O)O)C1	459
+c1ccccc1COC(N2CCCCC2CCCO)=O	66
+c1ccccc1CN2CCCCC2CCCO	131
+C(CC1Oc2c(cc(N)cc2)C1)C#N	0
+C(CC1Oc2c(cc(cc2)NC(OCC)=O)C1)C#N	90
+C(CN)CC1Oc2c3ccc(O)nc3c(C)cc2C1	51
+O1CC(CCOC)Oc2ccccc12	21
+C(CC1c2c(CC1)cc(NC(C)=O)cc2)C(=O)O	3406
+O=C1Nc2c(cccc2)C(CCO)C1	88
+C(CCC(CCC=C)OCCCCCCCCCCBr)=C	176
+C(CCC=C)(N=[N+]=[N-])c1ccccc1OC	841
+C(CC=CCC=CCCCC(Nc1ccc(c(c1)C(=O)O)O)=O)=CCC=CCCCCC	1
+C(CC=CCC=CCCCC(=O)Nc1ccc(O)c(c1)C(=O)OC)=CCC=CCCCCC	33
+C(C=CCC=CCCCCC)C=CCC=CCCCCO	95
+C(CCCCC)Oc1cccc(C)c1	8
+Nc1sc(SCCCCCC)nn1	5646
+c1cc(ccc1)-c2nc(nc(-c3ccccc3)n2)-c4c(cc(OCCCCCC)c(c4)Cl)O	8
+c1cc(ccc1OCCCCCC)I	8
+c1ccccc1COc2cc(C(O)(C)CCCCCC)ccc2	5647
+Nc1sc(nn1)CCCCCBr	1087
+CC(C)(C)OC(=O)N1CCC(CC1)c2cccc(NC(CCCCCBr)=O)c2	26
+c1(OC)cc2c(ccnc2c(NC(CCCCCBr)=O)c1)C	308
+C(Br)CCCCC(=O)Nc1ccccc1[N+]([O-])=O	26
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCNC(=O)CCCCCBr	68
+C(Br)CCCCC(=O)Nc1ccccc1O	26
+c1ccccc1-c2c(nc(n2CCCCCCCBr)-c3ccccc3)-c4ccccc4	541
+c1ccccc1CNCCCCCCOCCCCCCc2ccccn2	132
+c1(OC)n(c2nc(nc(N)c2n1)OC(CCC)C)CCCCCCl	637
+c1(OC)n(c2nc(nc(N)c2n1)OCCCC)CCCCCCl	637
+CC(C)CCSCCCCCCl	965
+FC(F)(F)CSc1cc(ccc1C)OCCCCCCl	8
+O=Cc1cn(c2ccc(OC)cc12)CCCCCCl	339
+c1cc(ccc1OCCCCCCl)C#N	8
+c1cc(ccc1SC(c2cc(c(OC)cc2)OC)(CCCCCCl)C#N)C	5648
+O(C(CCc1nc(C#CCCC(OC)=O)ccc1O)=O)C	3407
+c1cc(ccc1-c2c(NC(=O)OC(C)c3c(cccc3)Cl)c(no2)C)C#CCCCCC(O)=O	197
+c1(ccc(cc1Cl)C(CCCC#Cc2cc(c(-n3nc(C)nc3)cc2)OC)=O)Cl	155
+c1(nnn[nH]1)CCC(=O)OC	3408
+C(OC(CC(CCCCCC)(C)O)=O)C	5649
+c1cc(ccc1)Oc2cc(Br)cnc2Nc3nc(CCC(=O)OC)cs3	1102
+c1cc(ccc1Cl)-c2nn(c(C)c2)CC(CCC(=O)OC)=O	5650
+C1COCCC1Nc2c(CNC(=O)CCC(=O)OC)c(nc3c2cnn3CC)CC	9
+c1cc(ccc1-c2ccccc2)COCc3ccc(nc3)NC(=O)CCC(=O)OC	142
+c1cc(ccc1)C(NNC(=O)CCC(OC)=O)=O	708
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+C1CN(CCC1)CCCCC(c2c(OC)cc(NC(C)=O)c(Cl)c2)=O	53
+CC(C)(C)OC(NCCOCCOCCCCCCCl)=O	481
+FC(F)(F)C(OC)(OC)CCc1ccc(cc1)OCCN(CC)CCCCCCCCCCCC	20
+C(CCCCNCCCCO)CCCCCCCCCCCCC	21
+c1cc(ccc1C)S(=O)(=O)OCCCCCC(OC)C	36
+O=S(=O)(C)CCCCCCCCCCC=C	1887
+C1OC(CCC1)OCCCCCO	219
+c1(cc(c(OCCCCCO)nc1)Br)C(=O)O	91
+C(O)CCCCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2	602
+C(CCCCO)Oc1c(c(ncc1)CCl)C	512
+C(CCCCO)Oc1c(c(ncc1)CO)C	59
+C(CCCCO)Oc1c(c(ncc1)COC(C)=O)C	5682
+C(CCOCCCCCOCCCCC)CCN	51
+c1cc(ccc1)NC(=O)Nc2cc(ccc2)CCCCOCCCCCCBr	124
+c12c(C(=O)N(C1=O)CCCCCCc3cc4c(nc3)cccc4)cccc2	851
+FC(F)COc1ccc(cc1)C(C(=O)O)CCCCCl	434
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CC2)CCCCCl)=O)=O	5683
+c1cc(ccc1C(CCCCCl)C(=O)O)F	434
+c1ccccc1CN(Cc2ccccc2)c3nc4c(cccc4)c5n(CCCCCl)cnc35	1519
+O=S(=O)(C)OCCCCN1C(=O)c2n(CC=C)c(Cl)nc2N(CCCC)C1=O	710
+N1(c2ccccc2C(NC1=O)=O)CCCCCl	221
+c1(n(CCCC(OC)=O)nnn1)C	5684
+CC(C)(C)[Si](C)(C)OCCCCNc1c2ccccc2nc(c1[N+]([O-])=O)Cl	19
+CC(C)(C)OC(=O)N(c1c(C)c(C)ccc1)CCCC(=O)OC	603
+c1cc(ccc1C)S(=O)(=O)OCCCCOc2cccc(Cl)n2	36
+C(n1c2c3c(cccc3)nc(N)c2nc1CCC)CCCO	461
+C(CCCCCCCCC=O)CCCCCCOCOC	24
+c1c(ccc(c1Cl)Cl)CCCC=O	24
+c1cc(F)c(Br)cc1CCCC(=O)O	4
+c1cc(ccc1O)-c2sc(CNC(=O)C(O)CCCCCCc3ccc(nc3)F)nn2	9
+C(CCCc1ccc(F)nc1)CCC(C(=O)O)O	4
+C(CCCc1n(nc2c1c3c(nc2N)CCCC3)CCC)O	3426
+C1Cc2cccc(F)c2NC1=O	2440
+Cc1c(cc(c(C)c1)N2CCC2=O)[N+]([O-])=O	5685
+C(CCSC)N(CCC)C1CCc2c(cccc2C1)OC	1105
+CC(C)(C)OC(NCCOCCOCCCCCC)=O	481
+COc1cccc(c1)C#CCCCCCC	5686
+c1cc(ccc1OCCCCCC)S(=O)(=O)N(CC(C)C)CC(=O)OCC	116
+C(CCCCC)Oc1cc2c(cc1)c(-c3cnccc3)cs2	116
+c1cc(ccc1OCc2ccccc2)CC(OCCCCCC)C(=O)OC	5687
+c1cc(ccc1OC)-c2nc(N(CCCOc3ccc4n(CC(OC)=O)ccc4c3)C)c(F)cn2	345
+C(CCN(CCCC)C(c1cc(n(-c2ccc(N)cc2C(N3Cc4ccccc4CC3CO)=O)n1)C)=O)C	0
+c1cc(ccc1N(CCCC)CCCC)C=Cc2ccc(cc2)C=O	722
+C[Si](C)(C)C#Cc1ccc(cc1)N(CCCC)CCCC	311
+n1[n+]([O-])c2c(cc3c(CCC3)c2)nc1NCCN(C)CCCOC	1888
+CC1(C2CN(C(=O)C12)CCCCCC)c3cc([N+]([O-])=O)ccc3	5688
+c1(C(NCCCCCC)=O)cc(ccc1O)O	513
+CC1(C)Oc2c(C(O1)=O)cc(cc2)CNCCCCCC	42
+OB(O)c1sc(CNCCCCCC)cc1	1466
+c1(cc(ccc1[N+]([O-])=O)NCCCCCC)OC	60
+O=S(=O)(NCCCCCC(O)=O)C	111
+C(NCCCCCO)(CCCCBr)=O	68
+c12c(cccc1)C(=O)N(C2=O)CCCCCO	1889
+Cc1nc(Cl)c(c(NCCCCCO)c1C)[N+]([O-])=O	105
+c1ccccc1COC(=O)NC(C(=O)NCCCCCO)CCSC(=O)C	9
+C(CCN1c2cccc(c2C(c3c(O)cc4OCOc4c3)C1=O)Br)CC	462
+C(CCN1C(=O)N(c2ncn(c2C1=O)C)C)CCCCCCCC(O)CO	1886
+C(N1C(C(c2cc3c(cc2O)OCC3)(CO)c4c(Br)cccc14)=O)c5ncccc5	1106
+C1CC1CCN2C(C(c3c2cccc3)(c4c(cc5OCOc5c4)O)CO)=O	1106
+Clc1ccc2N(CC(OCC)=O)C(=O)C(c3cc4c(cc3O)OCC4)(CO)c2c1	1106
+Oc1c(C2(CO)C(=O)N(c3ccccc23)CC(=O)OCC)cc4c(OCO4)c1	1106
+C1(N(CCCCC)c2ccccc2C1(CO)c3ccc(cc3O)Br)=O	5689
+c1(cc2OCCc2cc1C3(C(N(CCCCC)c4ccccc34)=O)CO)O	1106
+c1cc(ccc1)COCCCN2C(=O)C(c3cc4OCOc4cc3O)(c5c2cccc5)CO	1106
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3C(C(c4c(cc5OCOc5c4)O)(c6ccccc36)CO)=O	1106
+CC(C)(C)[Si](C)(C)OCC1=CN(C(NCCCCCC)=O)C(NC1=O)=O	5690
+CC(c1ccc(c(F)c1)-c2cc(ccc2)OC(NCCCCCC)=O)C(OC)=O	1890
+C(NCCCCN(CC)C1Cc2scnc2CC1)(c3ccc4ccccc4c3)=O	61
+c1cc(ccc1C#N)OCC(O)CN(CCCSCCC)CC	123
+CC(C)(C)[Si](C)(C)OCCCOc1ccc(Cc2c(nc(N)nc2C)NC(CCO)CCC)c(OC)c1	3420
+C(c1ncccc1)CCCCO	587
+O=C1CCC(N1)OCCCCCC	1515
+c1cc(ncc1Br)OCCCCCC	640
+CC(C)(C)[Si](C)(C)OCCCCCC(C)O	19
+C(OC(OCC)COCCCCO)C	176
+CC(C)CCOCCCCO	176
+C1OC(CCC1)OCCCCO	219
+C(CCCOCCCOCCCCCCCCCCCCCCCCCC)O	967
+c1(cc(ccc1F)Br)COCCCCO	149
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCCO	604
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCCCO	328
+c1cc(ccc1C(=O)OCCCCO)[N+](=O)[O-]	279
+C(CCCl)N(CCC)C1CCc2c(cccc2C1)OC	221
+c1cc(CN(CCCn2c3c4c(cccc4)nc(N)c3nc2CCCC)CCCCl)cc(CC(OC)=O)c1	723
+C(c1ccccc1Br)n2cncc2CCCCl	221
+CC(=O)OCCCCCCCCCCCCCCCCCOC1CCCCO1	3286
+C(CCOCC#Cc1ccc(cn1)[N+]([O-])=O)CCCBr	769
+O=S(=O)(N)c1cccc(C#CCOCCCCCCCBr)c1	197
+C(CCOCCCc1ccc(cn1)[N+]([O-])=O)CCCBr	587
+O=S(=O)(OCCCOCCCCCCCCCCCCCCCCCC)C	7
+c1ccccc1CNCCCCCCOCCCc2ccccn2	132
+CC(C)(C)OC(NCCCCCC(=O)NCCOCCOCCCCCCCl)=O	9
+c1ccccc1CNCCCCCCOCCOc2cnccc2	132
+c1ccccc1CNCCCCCCOCCc2ncccc2	132
+c1ccccc1COC(=O)CC(NC(CCCCCCCOCc2cc(F)c(cc2)F)=O)CN(C)C	9
+C(CCON=C(C(=O)O)c1nc(sc1)NC=O)CCCCC	1274
+C(CCON=C(C(=O)O)c1csc(N)n1)CCCCC	3
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1OCCCCCCCC)Br	19
+O=Cc1sccc1OCCCCCCCC	968
+C(CCCCO)SCC(=O)N(C)CCCC	5691
+OCc1nccc(c1C)SCCCCS	1275
+C(CCSC)N(CCC)C1CCc2c(C1)cccc2O	5
+C(CCSc1[nH]c2cc(C(O)=O)ccc2n1)CSc3c(c(O)c(cc3)C(=O)C)CCC	6
+CC(C)(c1ccc(cc1)F)C=Cc2c(N)nc(nc2C)N	5692
+O=S(=O)(N(C(=O)OC)c1c(C(=O)OC)c2c(cc1)C3CC3CO2)c4c(cc(F)cc4)C=CCO	1511
+c1n(c(nc1)Sc2ccc(cc2Cl)Nc3c4ccc(cc4ncc3C#N)C=CCO)C	5693
+C1COCCC1N(c2cccc(C(=O)OC)c2CC=C)CC	1276
+C12CC3(CC(C1)CC(C3)C2)c4cc5c(ccc(-c6ccc(cc6)C(OC)=O)c5)cc4CC=C	5694
+FC(F)Oc1cc(ccc1C#N)CC=C	1276
+N1(c2c(C(=O)N(c3ccc(nc13)F)C)cc(CC=C)cn2)CC	3427
+N1(c2ncc(cc2C(Nc3c1nc(cc3C)Cl)=O)CC=C)CC	3427
+c1cc(c(cc1CC=C)F)C#N	1276
+c1c(ccc(C#N)c1OC)CC=C	1276
+c1cc(F)c(c(F)c1OCc2nc3cc(ccc3s2)CC=C)C(=O)N	5695
+c12c(CC=C)c(ccc1C=CC(=O)N2C)OC	1276
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(-c5ccnc(c5)C)c6cc(CC=C)c([N+]([O-])=O)cc46	1276
+n1ncc(-c2cc(c(cc2O)Cl)-c3ccccc3F)cc1	3428
+c1(Cl)cc(-c2cnncc2)c(cc1-c3cc(F)ccc3)O	3428
+C1CC1CN2C(Cc3c[nH]c4c3cc(cc4)-c5cncc(C(N)=O)c5)CCC2	5696
+C(CCc1cc2c(cccc2)cc1)c3onc(C(OCC)=O)c3	3429
+C(c1onc(C(O)=O)c1)CCc2cc3c(cccc3)cc2	6
+C[Si](C)(CCCC)CCCOc1ccc(cc1)OC(c2sc(CCCCCCCC)cc2)=O	852
+c1cc(ccc1Br)-c2c(NC(C)CCc3ccccc3Cl)c(no2)C	5697
+c1cc(ccc1S(=O)(=O)NCCCCC(SCC(OCC)=O)CCCc2cccnc2)Cl	71
+C(CCc1cccnc1)C(SCC(=O)OCC)CCCCN	18
+C(CCCC(CCCc1cccnc1)SCC(=O)OCC)O	168
+C1CN(CCC1C=C(c2cccc(OC)c2)c3cccc(OC)c3)CCCCCCCCc4cccnc4	53
+c1ccccc1C(c2ccccc2)=CC3CCN(CC3)CCCCCCCCc4cccnc4	53
+C(CCc1cccnc1)CCCCCCl	221
+s1c(C=O)ccc1CCCCCC	968
+Oc1c(ccc(C=Cc2onc(CCCCCCCC)n2)c1)O	5
+c1cc(c(cc1C(CCc2nnn[nH]2)=NOC)Cl)Cl	189
+c1cc(ccc1OCCC#N)O	72
+C1CN(CCN1CCc2ccc(cc2)Cl)C(c3ccc(cc3)NC(CCCl)=O)=O	26
+CC(C)(C)c1ccc(cc1)C(=O)CCCl	94
+CC1(C)CC(Nc2c1cc(cc2CC)C(CCCl)=O)=O	94
+c1c(ccc(Br)c1Cl)NC(=O)CCCl	26
+C(Cl)CC(Nc1cc([N+]([O-])=O)ccc1)=O	26
+c1c(cc(Cl)c(NC(=O)CCCl)c1)Br	26
+C(CCCl)(Nc1c(cccc1)F)=O	26
+c1ccccc1S(=O)(=O)c2ccc3OCCN(C(=O)CCCl)c3c2	192
+c1cc(ccc1NC(=O)CCCl)Nc2nc(c(cn2)Br)Nc3ccccc3	26
+c1cc(ccc1N2CCOCC2)-c3nc(OCC4CN(CCO4)C(CCCl)=O)c5c(nccn5)c3	58
+c1c2CN(CCOc2ccc1C(CCCl)=O)C=O	94
+C(Cl)CC(=O)NCc1cnccn1	68
+Nc1sc(nn1)CCCl	1087
+O=S(=O)(C)Nc1cc(ccc1Oc2ccccc2)OCCC(=O)O	5698
+c1cc(ccc1)CN(CCCN2N=C(c3cc(c(OC)cc3C2=O)OC)C)CCc4ccc(c(c4)OC)OC	53
+C1CCCC1n2nnc3c(O)nc(nc23)CNCCCl	3430
+C1CN(CCN1C(=O)c2cn(CCN)c3cc(Cl)ccc23)c4c(cccc4)F	1277
+CC(C)(C)OC(NCCCl)=O	37
+c1([N+]([O-])=O)cc(ccc1NCCCl)C(=O)OC	60
+c1c(Cl)cc(cc1Cc2c(CC)nn(CCN)c2CC)Cl	2441
+c1c(cc(Cl)c(NC(NCCCl)=O)c1)Br	282
+c1cc(ccc1C(NCCCl)=O)I	93
+c1cc(ccc1OC)SCCN	1107
+c1ccccc1S(=O)(=O)N2CCN(CC2)c3ccc4oc(cc4c3)C(=O)OC	386
+C1CNCCN1c2c3c([nH]c(C(OC)=O)c3)ccc2	386
+C1CN(CCN1)c2cccc3ccc(OCC4CC4)cc23	386
+CC(C)(C)OC(=O)N(CCCl)CCCl	23
+CC(C)(C)c1c(c(N2CCNCC2)cc(Br)c1)OC	386
+CC(C)(C)c1ccccc1N2CCNCC2	386
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)N2CCNCC2	386
+CC1(C)C(C)(C)CC(c2c(cccc2)N3CCNCC3)=C1	386
+C1CN(CCN1)c2c(c(C)ccc2)C=3CC(C)(C)CC(C)(C)C=3	386
+CC1(C)CC(C)(C)C=C(C1)c2c(N3CCNCC3)cccc2F	386
+C1CNCCN1c2cc(OC)ccc2C=3CCC(C)(C)CC=3	386
+FC(F)(F)COc1ccc(cc1N2CCNCC2)F	386
+c1cc(ccc1N2CCNCC2)CC(C(OCC)=O)(C(OCC)=O)C	386
+c1cc(ccc1N2CCNCC2)C(C(=O)OCC)(C(=O)OCC)C	386
+C1CN(CCN1)c2cccc3n(ccc23)S(=O)(=O)c4c5ccccc5ccc4	386
+C1CN(CCN1)c2c[nH]c3cccnc23	5699
+c1cc(ccc1N2CCNCC2)N3C(=O)c4ccccc4C=C3	386
+c1cc(ccc1Oc2cc(-c3ccccc3)ccc2N4CCNCC4)OC	386
+C1CN(CCN1C)c2nc3N(C=C(C(=O)c3cn2)C(OCC)=O)CCO	5700
+CCC(CC)NC(C=Cc1ccc(cc1)OCCO)=O	72
+O(CCCl)CC(OCC)=O	337
+N#CC(C#N)=C(C)c1cc2ccc(cc2cc1)N(CCOCCO)C	649
+O=S(=O)(c1ccc(cc1)NC(=O)CC2CCN(CC2)CCO)C	53
+c1(cc(ccc1[N+]([O-])=O)OCCO)OC	72
+c1([N+]([O-])=O)cc(Cl)c(NC(=O)OCCCl)cc1	589
+c12cc(cc(OCCCl)c1c(Nc3cc([nH]n3)CC(Nc4cccc(c4)F)=O)ncn2)OC	3431
+c1cc(ccc1OCCO)C(=O)O	72
+c1cc(ccc1OCCN(CCO)CC)C	53
+c1cc(ccc1OCCO)C(c2c[nH]c3c2cccc3)=O	72
+c1ccccc1S(=O)(=O)N(c2cccc(c2)OCCc3ccc(cc3)C#N)CCO	2442
+c1(OCCCl)cccc2ncccc12	1520
+CC(C)(C)OC(=O)N1CC2(CN(C2)C3CCN(CC3)CCOC)C1	53
+c1c([N+]([O-])=O)ccc(OCCOC)c1I	72
+CC(C)N1N=C(Br)c2ccc(SCCSC)cc2C1=O	1107
+c1(C=O)cccc(OCCSC)c1	72
+FC(F)(F)c1cc2scc(N3CCN(CC3)CCC4(CC4)C(=O)NCCCn5ccnc5)c2cc1	9
+C1CCCCC1N2C=C(C(c3cnc(nc23)NCCCn4ccnc4)=O)C(OCC)=O	435
+N12C(COc3c(NCCCn4ccnc4)c(c(N)c(c13)C(=O)C(=C2)c5nnn[nH]5)F)C	60
+c1cc(ccc1[N+](=O)[O-])C(=O)NCCCn2ccnc2	93
+c1ccccc1Nc2c(Cl)cnc(Nc3ccc(cc3)C(NCCCn4ccnc4)=O)n2	14
+c1cc(ccc1C=O)OCCF	72
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)NCCF	238
+c1c(CNCCF)cc2c(CC(=O)OCC)c(ccc2c1)Cl	42
+c1ccccc1COc2c(c(cc(OCc3ccccc3)c2)Oc4ccc(cc4)[N+]([O-])=O)-c5onc(C(=O)NCCF)c5	81
+c1ccccc1-n2nc(cc2OCC(=O)N3C(CCC3)C(NCCF)=O)C(OCC)=O	9
+c1c(F)c(c(c(OCCF)c1)Cl)-c2nc3n(c2Nc4cc5c(OCCO5)cc4)c(OC)ccc3	1891
+C(CF)Oc1ccc(F)c(c1Cl)C=O	151
+C1CCCCC12c3c(cccc3)NC2=O	5701
+CC(C)(C)OC(=O)N1CC(N(C(C1)=O)c2ccc(cc2)OCCCOCc3c(cccc3)OC)CO	116
+c1cc(ccc1[N+]([O-])=O)C=Cc2ccc(N(CC=C)C)c(CC=C)c2	1521
+C(CN(C)c1ccc(C=O)cc1CC=C)=C	151
+C(CC)N(CCC)C1Cc2cc(ccc2C1)C=O	146
+C(CC)N(CCC)CCC(=O)NCCO	248
+CC(C)(C)OC(N1C(C(NCCC#N)=O)CC2CCCCC12)=O	9
+CC(C)(C)OC(NC(C(=O)NCCC#N)Cc1ccc(cc1)-c2cc(Cl)ccc2)=O	9
+C1CCCCC1C(=O)c2cc([N+]([O-])=O)c(NCCC(=O)N)cc2	60
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C2N(CCC(O)=O)C(=O)CS2	5702
+FC(F)(F)c1cc(ccc1)C2=Cc3c(c(ncc3N(Cc4ccccc4)C2=O)C(=O)NCCC(O)=O)O	658
+C(CCNC(=O)CCC(=O)Nc1cccc2c1cccc2)(=O)O	9
+c1ccccc1C2=Cc3c(c(nc(-c4cccnc4)c3N(C(C)c5ccccc5)C2=O)C(=O)NCCC(O)=O)O	658
+c1cc(ccc1)C2=Cc3c(cnc(c3O)C(=O)NCCC(O)=O)N(C2=O)Cc4sccn4	658
+c1cc(ccc1)CCC=2C(=O)N(Cc3ccccc3)c4c(C=2)c(O)c(C(=O)NCCC(O)=O)nc4-c5cnccc5	658
+C1CCCCC1CN2C(C(=Cc3c2c(nc(C(NCCC(O)=O)=O)c3O)-c4ccncc4)c5ccccc5)=O	658
+CC(C)(C)OC(=O)N1C(C(=O)NCCC(=O)OC)CCC1	9
+CC(C)(C)OC(=O)NC1C(C)(C)C(C1)C(=O)NCCC(=O)OC	9
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(C)c3sc(C(NCCC(=O)OC)=O)cc3)C	227
+CC(C)CC(Sc1ccc(cc1)Br)c2ccc(cc2)C(NCCC(=O)OC)=O	14
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(=O)NCCC(=O)OC	14
+O=C(NCCC(OC)=O)c1c([N+]([O-])=O)cc(c(Cl)c1)[N+](=O)[O-]	14
+c1cc(ccc1C(=O)NCCC(=O)OC)C(=O)CCC	14
+c1cc(ccc1C(NCCC(=O)OC)=O)C(Oc2ccc(cc2)Br)CCCCCC	14
+c1cc(ccc1F)-c2cc(no2)C(=O)NCCC(=O)OC	81
+c1ccccc1COc2ccc(cc2)C(NCCC(=O)OC)=O	14
+c1cc(ccc1Oc2cc(ncc2)-c3cc(C(=O)NCCC(=O)OC)sc3)NC(Nc4cc(ccc4F)C)=O	227
+c1(Cl)cc(cc(Cl)c1Oc2cc(C(=O)NCCCCCCCCC)c(OC)cc2)[N+](=O)[O-]	14
+c1cc(ccc1C(c2ccccc2)=CC(NCCCCCCCCCC)=O)[N+]([O-])=O	771
+c1cc(ccc1C2CC2C(NCCCCCCCCCC)=O)[N+](=O)[O-]	9
+c12c(ccnc1cccc2)NCCCCCCCCOc3cc(F)ccc3	105
+C1CC1C(=O)NCCCc2c3CCOc3ccc2Br	68
+c1(nc(nc(C)c1C(OCC)=O)NCCCc2cccc(OC)c2)C	96
+C(CN)Cc1c(ccc2OCCc12)Br	38
+c1ccc2ccc(OC)cc2c1CCCNC(C)=O	68
+CC(C)(C)OC(=O)NCCN(C)CCN	3391
+C1CC(CCN1C)c2nn3c(NCCNc4ncc(cc4)C#N)nc(-c5ccc(cc5Cl)Cl)cc3n2	3432
+Clc1ccc(c(c1)Cl)-c2c3CN(CCc3nc(NCCNc4ccc(C#N)cn4)n2)C(C)=O	435
+CC1=C(C)C(=O)N(C1=O)CCO	3433
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4c5c(ccc4)C(=O)N(C=C5)CCO	1892
+C1CC1NC(=O)c2cc(c(c(c2)N3C=CNC(=NC(C)(C)c4c(SCCNCCO)cccc4)C3=O)C)F	284
+C1CC1c2nc(c(Oc3c(cccc3)OC)c(n2)NS(=O)(=O)c4ncc(cc4)C(C)C)OCCN	145
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(C)c(OCCNCCO)c(CC)c4)c2)OC	285
+C1C(CC1)(NC=2C(N(C=CN=2)c3cc(ccc3C)C(NC4CC4)=O)=O)c5ccccc5OCCNCCO	284
+C1CCCCC1CCCNCCO	110
+C1CN(C(=O)CNCCO)c2ccc(cc2S1)[N+]([O-])=O	402
+C1CN(CCO1)c2c3c(cc(-c4cccc(c4)C(=O)NCCO)s3)nc(n2)-c5cnc(nc5)N	14
+N=1c2ccccc2C(N(C=1CC)CCO)=O	3434
+CC(C)(C)C1CCC(CC1)c2cccc(NC(=O)Cc3ccc(c(OC)c3)OCCNCCO)c2	132
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2nc(NCCO)nc(n2)OC	387
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)C3=NCCO3)=O	5703
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(NCCO)=O)=O	238
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)CNCCO	463
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(NCCO)=O	238
+C1N(CCc2c3C(N(C=Nc3sc12)CCO)=O)C	3435
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(cc(C3CCN(CC3)C(NCCO)=O)cc2)C4=CCCCC4	1893
+c1(NCCO)c(Cl)cc(C(Nc2cc(c(C)cc2)O)=O)cc1	60
+Clc1ccc2c(c(n(c2c1)C)-c3cncc(CNCCO)c3)C#N	249
+FC(F)(C)C(NCCO)=O	271
+FC(F)(F)CCS(=O)(=O)CCCNCCO	284
+FC(F)(F)c1c(F)cc2n(cc(CNCCO)c2c1)C	249
+FC(F)(F)c1nc2c(c(NCCO)c1)cccc2	105
+FC(F)(F)c1cc(ccc1OCCNCCO)F	132
+FC(F)(F)c1ccccc1-c2nc(O)c3cc(ccc3c2)NC(CNCCO)=O	402
+FC(F)(F)c1nc(cs1)-c2c(cccc2)OCCNCCO	132
+FS(F)(F)(F)(F)c1ccc2[nH]cc(CNCCO)c2c1	249
+C(CNc1c(Cl)cc([N+]([O-])=O)c(NCCN)c1)O	205
+O(Cc1cc(N)ccc1Cl)c2cnc(cc2)NCCO	182
+n1c(n(Cc2c(F)cccc2Cl)c3C(N(C(=O)N(c13)C)C)=O)N4CCCC(C(NCCO)=O)C4	9
+c1(NCCO)c(ccc(N2C(=O)C=CC=C2)c1)-n3cnc(CNC(c4sc(cc4)Cl)=O)c3	60
+Fc1c(cccc1)CNCCO	42
+C1CC(CCC1)CC(Nc2c3c(nc(cc3)N4CCC(NCCO)C4)ccc2C)=O	5704
+C(c1c(F)ccc([N+]([O-])=O)c1)(NCCO)=O	14
+N(CCO)c1c([N+]([O-])=O)cccc1Br	205
+N(CCO)c1c(ccc(F)c1Cl)[N+]([O-])=O	60
+c1(cc([N+]([O-])=O)ccc1C(CNCCO)O)Br	284
+c1(F)c(ccc(C(CNCCO)O)c1)Br	122
+c1(cccnc1OCC(C)F)Nc2c3c(c(sc3ncn2)C(NCCO)=O)C	227
+c12C=CN(C(c1ccc(Cl)c2[N+]([O-])=O)=O)CCO	1892
+c12cc[nH]c1ccc(C(NCCO)=O)c2	14
+c1c(c(ccc1)OCCNCCO)Br	132
+c1c(ccc(COC2=C(Br)C(N(C(=C2)C)c3c(C)ccc(C(NCCO)=O)c3)=O)c1F)F	14
+c1(ccc([N+]([O-])=O)c(n1)N)NCCO	70
+c1(C)cc(C(CNCCO)O)ccc1[N+]([O-])=O	122
+c1cc(ccc1)-c2c(c(on2)C)COc3ccc(C(=O)NCCO)nn3	81
+c1cc(ccc1-c2c(n(nc2)CC(NCCO)=O)-c3ccc(cc3)C#N)C#N	271
+c1cc(ccc1C#N)CCCNCCO	132
+c1cc(ccc1OCCNCCO)C#N	132
+c1cc(ccc1C(=O)NCCO)[N+](=O)[O-]	93
+c1cc(ccc1CC2=C(C)C(=O)C(OC)=C(C2=O)OC)CCC(=O)NCCO	9
+c1cc(ccc1[N+]([O-])=O)CCNCCO	132
+c1cc(ccc1COc2cc(OCc3c4c(c(cnc4N)C(NCCO)=O)sc3)ccc2)Cl	2443
+c1cc(ccc1C2CC(CNCCO)CCC2)Cl	110
+c1cc(ccc1-c2cnnc(NCCO)c2)F	232
+c1cc(ccc1I)NCCO	3436
+c1cc(ccc1Nc2sc(C(c3cc([N+](=O)[O-])c(NCCO)cc3)=O)c(N)n2)N4CCN(CC4)C	205
+c1cc(ccc1[N+]([O-])=O)C(O)CNCCO	122
+C(NCC(O)c1ccc(nc1)Cl)CO	122
+OCCNC(=O)c1nc(c2c(c1O)cccc2)Cl	81
+c1ccccc1C(Nc2ccc(c(OCc3c4c(c(cnc4N)C(=O)NCCO)sc3)c2)C)=O	2443
+c1ccccc1COC(=O)NC(CC2CCCCC2)C(=O)NCCO	9
+c1ccccc1COc2cccc(c2)-c3c(NC(=O)CNCCO)cc(cc3)Cl	402
+c1ccccc1COc2c(CNC(=O)NCCO)cccc2	588
+Clc1cnc2nc(NCCO)c(Cl)nc2c1	464
+Nc1c(NCCO)nc(nc1Cl)C	40
+CC(C)(C)OC(=O)NCCOCCN	37
+CC1(C)CC(CCC1O)Nc2c(cnc(NCCc3c4c(n(C)c3)cccc4)n2)C#N	435
+c1(cc(F)c(cc1)F)CCNc2nc(OC)nc(Cl)c2	40
+N(c1c2c(sc(C)c2C)nc(n1)Cl)CCc3cc4c(OCO4)cc3	1108
+CC(NCCc1ccccc1Br)=O	206
+CC(C)C1C(C(NCCc2ccccc2Br)=O)CC(CC1)C	68
+FC(F)(F)C(NCCc1ccccc1Br)=O	659
+C(CCCC=CCN1C(=O)CCCC1C=CC(=O)CCCCC)(OC)=O	2444
+C(CN1C(=O)CCCC1C=CC(=O)CCCCC)#CCCCC(OC)=O	1278
+C(CN1C(=O)CCCC1C=O)#CCCCC(OC)=O	24
+c12nc(Cl)n(c1cccc2)CCOCC	1088
+COc1cc2OC(C3=C(CCN(CC(C)NCC)C3)c2cc1)=O	87
+N1(CCCC1=O)CCn2ncc([N+]([O-])=O)c2	2441
+CC(C)(C)c1nc(c(-c2ccnc(NCCN3C(=O)CCC3)n2)s1)-c4c(c(ccc4)NS(=O)(=O)c5c(F)ccc(c5)F)F	96
+c12c(cccc1NCCN3CCCC3CO)C(c4c(cccc4)C2=O)=O	205
+C1CN(CCO1)C(=O)c2ccc(s2)-c3nc(ncc3)NCCN4C(=O)NCC4	435
+C1CN(CCO1)c2ccccc2OCC(=O)NCC(O)CN3Cc4c(cccc4)CC3	271
+CC(C)(C)OC(N1CCC(CC1)n2ncc3cc(ccc23)OCC(NCC(O)CN4Cc5c(cccc5)CC4)=O)=O	271
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)O)ccn2)=O	14
+C(C(CNC(c1cccc([N+](=O)[O-])c1C)=O)O)N2CCc3ccccc3C2	14
+C(C(CNC(=O)c1cc(ccc1)Br)O)N2CCc3ccccc3C2	14
+C(C(O)CNC(=O)COc1cc(NC(=O)C)ccc1)N2CCc3ccccc3C2	9
+C1CC1COc2cc3cc(c(NCCNC(C)=O)nc3cc2)C=O	554
+c12ncc(CCc3c(C)cc(cc3)C(NCCNC(C)=O)=O)cc1c4ccc(C)cc4nc2N	93
+c1cc(ccc1)-c2nc(cc(Cl)n2)NCCNC(C)=O	40
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C(=O)NC(CCCNC(=O)N)C(=O)O	2445
+C1CC2(CCN1C(=O)c3cc(NC(=O)NCCC(=O)OCC)ccc3)CNC(=NC(c4nc(c(nc4N)N)Cl)=O)N2	30
+FC(F)(F)c1ccc(cc1)-c2c(cc(cc2)C(CCCCCC)Oc3c(cc(C(=O)NCCC(OCC)=O)cc3)F)C	20
+Fc1ccc(C#Cc2cc(C#N)cnc2)cc1CN(CCC#N)C	48
+FC(F)(F)C(=O)NCCNC	605
+c1cc(ccc1C=2N(C)CCN=2)N	5705
+c1ccccc1C(c2ccccc2)N(CCNC)C	1109
+c1cc(ccc1CN(CCNC)C)-c2cc(C)cc(-n3c(C)ccc3C)n2	48
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(nc5ccc4Cl)N6CCC(NCCC#N)C6	286
+C1CC(CCC1)CC(=O)Nc2c(ccc3nc(N4CCC(NCCC#N)C4)ccc23)Cl	286
+[nH]1c2cccc3C4=CC(CN(C)C4Cc(c23)c1)C(N(CC)CCC(OCC)=O)=O	3437
+C(CBr)N(CCBr)C(=O)OCC	66
+c1cc(ccc1N2CCNCC2)NC(=O)CCBr	765
+C(CC)N(CCC)C(=O)CC(C)=O	5706
+C(CN(CCC)CCC(=O)OC)C	3438
+CC(C)(C)OC(NC1=Nc2cc(Br)ccc2C=C(C(=O)N(CCC)CCC)C1)=O	3439
+FC(F)(F)c1cccc(CNC(=O)c2ccnc(-c3cc(ccc3[N+]([O-])=O)N(CCC)CCC)c2)c1	34
+C(CC)N(CCC)CCOCCc1ccc2c(ccs2)c1	123
+C(CC)N(CCC)CCCCc1c(OCCc2ccccc2)ccc(c1)Cl	53
+C(CN(CCC)CCCc1cc(ccc1OCCc2ccccc2)Cl)C	53
+C(CN(CCC)Cc1nc(sc1)-c2ncn3-c4c(c(c(cc4)F)Cl)C(N(Cc23)C)=O)C	2446
+C(CN(CCC)Cc1nc(-c2c3CN(C(c4c(c(ccc4-n3cn2)F)Cl)=O)C)no1)C	960
+C(CC)N(CCC)Cc1nc(sc1)-c2ncn3-c4c(C(=O)N(Cc23)C)cccc4	2446
+C(N(CCC=O)CCC)(Nc1nnc(SC)s1)=O	1110
+C(CCO)N(CCCn1c2c3c(cccc3)nc(N)c2nc1CCCC)Cc4cccc(CC(OC)=O)c4	131
+C1CC(CCC1COCCCCN(CCO)CCO)CN(C)C(Oc2ccc(cc2)Cl)=O	28
+C(CO)N(CCO)c1ccc([N+]([O-])=O)cc1C(NCCOC2CCCCO2)=O	34
+CC1(C)CC(CC(C)(C)N1O)OCC(O)CN(CCO)CCO	170
+CC1(C)CC2(OCCO2)CC(C)(C)N1c3nc(N(CCO)CCO)nc(n3)N4CCOCC4	436
+C(CO)N(CCO)c1c(cc(cc1F)C#N)F	34
+C(O)CN(CCO)CCCCc1ccc2c(nsc2c1)-c3ccc(cc3)Cl	123
+C(O)CN(CCO)CCCCOc1ccc(cc1)[N+]([O-])=O	28
+c1ccccc1SCCCN(CCO)CCO	53
+n1c2c(nn1-c3c(O)ccc(c3)CN(CCO)CCO)cccc2	131
+c1c2c(ccc1OCCCN(CCO)CCOC)c(Nc3cc([nH]n3)CC(Nc4cccc(c4)F)=O)ncn2	53
+CC(C)(C)OC(N(CCn1cnc(I)c1)CCOC)=O	23
+C(CNc1ccc(CC(=O)O)c(F)c1)CCCCCCCCCCCCCC	3
+CC(C)(C)[Si](C)(C)OCCNc1c2c(cccn2)ccc1	19
+FC(F)(F)c1ccc(cc1)C(=O)COC(=O)C(Oc2ccc(c(C(N)=O)c2F)F)CO	1231
+c1c(c(cc(c1Br)C#N)[N+]([O-])=O)N(C)C(C)CO	34
+c12c(cc(cc1)Nc3c4c(cccc4ncn3)OCC(NC)C)ccn2Cc5ncccc5	1111
+CC(C)(C)[Si](C)(C)OCCC(C)(C)CCO	19
+CC(C)(C)[Si](C)(C)OCCOCCC(C)(C)CCO	176
+c1cc(ccc1)[Si](c2ccccc2)(OCCC3(CCCCC3)CCO)C(C)(C)C	328
+CC1(C)OCC(O1)CCCO	1522
+CC(C)(C)c1c(O)c(c(c(C)c1)CC(=O)OCCCCCCCCCCCCCCCCCC)C	456
+C(c1cccc(F)c1)CC=O	24
+Nc1cc2c(cc1)N(CCC2)CCCN(CCO)C	0
+C(CO)N(CCO)c1c(F)cc(cc1F)C(=O)O	329
+c1(nc2c(s1)cccc2)Oc3ccc4c(CCO)coc4c3	1523
+CC(C)(C)[Si](C)(C)OC(Cc1ccc(s1)CCO)=O	5707
+C(COC(CCSc1n(-c2c(F)ccc(c2)F)nc(C(=O)OCC)c1)=O)(CCCC)CC	5708
+C(COC(CCSc1ccc2c(ccc3nnc(-c4ncccc4)n23)c1)=O)(CCCC)CC	1524
+C(COC(=O)OCI)NC(C)=O	5709
+c1cc(ccc1C(C2=C(C)NC(=C(C(=O)OCCC)C2c3c4OC(=CC(=O)c4ccc3)C)C)=O)F	5710
+C1COCCC1(C#N)c2nc(ccc2)Sc3cc4c(cc3)n5c(-c6ncccc6)nnc5cc4	5711
+C(COC(c1cncc(N)c1)=NC#N)C	5712
+C(CO[N+]([O-])=O)NC(=NC#N)c1cncc(N)c1	5713
+C1COCCN1c2c(F)cc(NN=C(C(=O)COC)C(=O)OC)c(c2)F	1894
+FC(F)(F)c1cccc(NN=C(C(=O)OC)C(COC)=O)c1	1894
+FC(F)Oc1c(cccc1)NN=C(C(=O)OC)C(=O)COC	1894
+O=C(C(=NNc1c(F)cc(cc1)I)C(COC)=O)OC	1894
+C(COC)(=O)Nc1cc(ccn1)Oc2c3c(c(cc2)N)cccc3	0
+CC(C)(C)OC(=O)N(CCOCCn1c2c(nc1CCOC)cnc3c2cccc3)C	546
+CC(C)(C)OC(=O)NCCCCn1c2c3c(cc(cc3)OCc4ccccc4)ncc2nc1CCOC	546
+CC(C)(C)c1cc(n(n1)-c2ccc(cc2)NC(CCOC)=O)NC(=O)Nc3ccc(cc3)Oc4ccncc4	26
+c1ccccc1COc2cc3c4c(cnc3cc2)nc(CCOC)n4C	546
+CN(C)CCCNC(CCOC)=O	5714
+C1N(c2nc3c(ncnc3cc2)N)CCCC1NC(=O)CCOC	9
+C1CC(CCC1C(=O)NCc2nccnc2Cl)NCCOC	87
+C1CC1NC(=O)Nc2c(Cl)cc(cc2)Oc3c4c(cc(c(C(=O)NCCOC)c4)OCCOC)ncc3	14
+C1CCCC1Oc2cc(c(F)cc2Cl)NC(=O)C=3CCCCC=3C(NCCOC)=O	3440
+C1CCN(C1)S(=O)(=O)c2c(c(cc(c2)C(=O)O)Br)NCCOC	60
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4c(nn(-c5c(F)cccc5C=NCCOC)c4)C	853
+C1COCCC1c2c3sc(NC(c4cc(ncc4)CNCCOC)=O)nc3c(OC)cc2	1279
+C1COCCN1c2cc(nc(n2)Cl)CNCCOC	294
+N1(CCC(CC1=O)NCCOC)C	5715
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3oc4NC(N(C)C(=O)c4c3-c5ccccc5)=NCCOC	5716
+c1cc(ccc1F)Cc2cnc3c(N(CCCP(OCC)(OCC)=O)C(=O)C(C(NCCOC)=O)=C3O)c2	1112
+FC(F)(F)c1nc(NCCOC)c(cc1)C=CC(NCc2cc(c(NS(=O)(=O)C)c(c2)C#C)F)=O	70
+Nc1ncc(C#N)c(NCCOC)c1	3441
+CC(C)n1c(ncc1-c2ccnc(Nc3ccc(cc3)S(=O)(=O)NCCOC)n2)C=O	3442
+c1c(Cl)c(c(cc1CCNC(C(c2ccc(cc2)O)O)C)Cl)NCC(=O)NCCOC	271
+c12CN(C(=O)c1cccc2[N+]([O-])=O)CCOC	854
+c12c(nc(nc1)NCCOC)nc(C)cc2	785
+c1cc(ccc1Oc2c([N+](=O)[O-])cc(cc2)Cl)C(=O)NCCOC	93
+O=S(=O)(c1cc2OC(CNCCOC)COc2c(c1)F)C	463
+c1cc(ccc1)CCCOc2cc(C(=O)NCC)ccc2-n3cc(C(=O)NCCOC)nn3	312
+c1ccccc1COC(=O)CN2C(=O)c3c(ccc(c3)N(CCNCCOC)S(=O)(=O)C)C2=O	132
+c1ccccc1Cn2c3nc(NCCOC)nc(N)c3nc2	96
+c1n2nccc2nc(c1)NCCOC	2447
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ccc(CNCCOC)cn4	249
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4n(c(cn4)CNCCOC)C	5717
+C1CN(CCO1)CCOc2c(cc3c(c2)c(c(cn3)C#N)Nc4c(cc(Cl)c(OC)c4)Cl)OCCOC	724
+CC(C)(C)c1nn(-c2ccc(cc2)COCCOC)c(NC(=O)Nc3c(F)cc(Oc4cc(ncc4)C)cc3)c1	5718
+CC(C)NC(=O)C1CCC(CC1)Nc2cc(ncc2[N+](=O)[O-])OCCOC	91
+O(C)CCOc1ccnc(Cl)c1	1895
+FC(F)(F)C1CCC(CC1)NC(=O)c2ccc(Cl)nc2OCCOC	91
+FC(F)(F)Oc1ccc(cc1)NC(c2cc(Br)c(nc2)OCCOC)=O	91
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3nc(cs3)C4=NOC(c5c(COCCOC)cccc5)C4	555
+O=Cc1ccc(OCCOC)cc1O	20
+c1(c(F)c(c(c(OC)c1)F)N2C(C3(CC3)c4c(cnc(c4)-c5c([N+](=O)[O-])cnn5CCOC)C2)=O)OC	2426
+c1cc(C(=O)O)cc([N+]([O-])=O)c1OCCOC	57
+c12c(O)c(C#N)cnc1cc(OCCOC)c(OC)c2	724
+c12c3c(ccc1cccn2)c(cc(C)n3)OCCOC	260
+c1(cc(ccc1F)Br)COCCOC	149
+c1cc(ncc1Br)OCCOC	5719
+O(CC)P(OCC)(=O)Cc1ccc(cc1)Cn2cnc3c(N)nc(nc23)OCCOC	482
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2)C)OCCOC	57
+c1ccccc1COc2cc(OCCOC)ccc2C=CC(=O)OCC	126
+c1ccn(c1)-c2cc(c(cc2OCCOC)N)[N+](=O)[O-]	556
+O=S(=O)(NC(c1ccc2n(c(-c3ccc4n(c5c(cccc5)c4c3)CC)nc2c1)CCOC)=O)C	258
+C1C(NC(c2nc(Cl)c(CC)[nH]2)=O)C(OCCC)CN(C1)c3cccc(c3)C(=O)OC	855
+c1cc(ccc1)COC(=O)c2cccc(c2)C#CCOCCOCCOCCOCCO	121
+C(COCC(=O)NCCOCCOCCOCCN)(=O)O	18
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(OCCOCC)=O	47
+C(COCCC#N)OCC	5720
+c1(cc(cc(C)c1-c2cc(COc3ccc(cc3)CCC(=O)OC)ccc2)OCCOCC)C	20
+n1(Cc2cccc(n2)COCCOCC)nnc3c(-c4oc(cc4)C)nc(N)nc13	1896
+C(COCCC(=N)NO)OCC	409
+C(OCCCl)CC(Cl)=O	130
+FC(F)(F)c1c(N)c(Cl)cc(N2CCOCC2)c1	386
+c1cc(ccc1)COc2cc(F)cc(C3(CCOCC3)C(=O)OCC)c2	5721
+C1COCCN1c2ccc(cc2)Nc3ncn(-c4ccnc(N5CC(C)N(C(C5)C)C(=O)C)c4)n3	386
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5c4cc(c(OCCOCCCl)c5)OC)C)C	72
+FC(F)(F)c1cc(ccc1C#N)N2C(N(CCCC(=O)NCCOCCOCC)C(C)(C)C2=O)=S	9
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCOCC(=O)N	83
+CC(C)(Br)C(=O)OCCOCCOCCN=[N+]=[N-]	5722
+O=S(=O)(OCCOCCOCCN=[N+]=[N-])C	7
+O(CC#C)CCOCCN	18
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCC#C)C	36
+C(OCC(=O)O)COCCNC(COCCOCCNC(CCCCCCCCCCCNC(=O)CI)=O)=O	1280
+c1ccccc1COCCOCCOCCOCCOCCOCCO	555
+c1ccccc1COCCOCCOCCOCCOCCOCCO	149
+C1C(CN1C(=O)CCOCCc2ccc3c(ccs3)c2)O	10
+c1cccc(C=Cc2cccn2CCOCCOCC)c1Cl	3443
+CC(C)(C)[Si](C)(C)OCCOCc1nccs1	19
+OC12C(C(CC=NOCCN)CC1)(C)CCC3C2CCC4C3(CCC(O)C4)C	410
+C(c1ccc2ncccc2c1)n3nnc4c3nc(C(=NOCCO)C)cn4	5723
+COCC#Cc1cc(F)c(Nc2c(F)c(ccc2C(=O)NOCCO)F)cc1	514
+c1cc(c(F)c(Nc2c(F)cc(cc2)C#CCOC3OCCCC3)c1C(=O)NOCCO)F	514
+C(CON=C(C(OCC)=O)C(=O)CCl)OCC	969
+C(CON=C(c1nc(sc1)NC=O)C(=O)OCC)OCC	1274
+N(C=O)c1scc(C(C(O)=O)=NOCCOCC)n1	3
+C(CO[N+]([O-])=O)NC(=NC#N)c1cncc(NC(C)=O)c1	308
+c1c(c(c(Cl)cc1)OCCC)CCN	5724
+C(OC)COc1ccc(CCl)cc1OCCOC	109
+C(COc1c(ccc(c1)OC)Br)C	65
+C(COc1cc(OC)ccc1C#N)C	160
+C(COc1c2c(ccc1)ccnc2Cl)C	174
+CC(C)(C)OC(=O)N(C)CC(COc1ccc(F)c(c1)Br)O	23
+C(COc1ccc(c(c1)O)C)C	606
+O=S(=O)(c1ncnc(c1)OCC#CC)C	3444
+c1c(C(OCC)=O)cc(c(Br)c1OCC)OCCC	116
+c1cc(ccc1C)S(=O)(=O)Nc2ccc(Oc3cc(c(cc3)[N+](=O)[O-])OCCC)cc2C(OC)=O	46
+O(C(CCCOc1ccc2nc(cc(c2c1)OCCCOc3c(nc(N)nc3N)CC)C)=O)CC	2448
+c1cc(ccc1N=Nc2cc(c(cc2C)N)OCC(CCCC)CC)CCCC	725
+C(COc1cc(N)c(C)cc1)C	0
+C(COc1ccc(C)cc1N)(CCCC)CC	0
+c1c2ncccc2ccc1OCCCNCC3Oc4c(OC3)ccc(c4)O	5
+c1c(C(=O)O)cccc1OCC(Nc2cccc(C#N)c2)=O	1
+C1(c2c(C(=O)N1CC(O)COc3cccc(C=O)c3)cccc2)=O	851
+C(Oc1cccc(N)c1)CN	15
+O=S(=O)(c1ccccc1)N2CCN(CC2)CCOc3cc(Nc4c5c(nc(C)c4)cccc5)ccc3	53
+C(COc1cccc2cc[n+](cc12)[O-])C	103
+C(COc1c2c(ccc1)cc[n+]([O-])c2Cl)C	375
+C1CCC(C1)NCCCOc2ccccc2NC(=O)c3cccc4[nH]ccc34	132
+S(Cc1nccc(OCCO)c1C)c2[nH]c3c(ccc(OC)c3)n2	602
+CC(C)(C)[Si](C)(C)OCCOc1c([N+](=O)[O-])c(cc(Cl)n1)N	19
+OP(O)(=O)COCCOn1c2c(nc1)c(ncn2)N	228
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(SCCC(OC)=O)cc3Oc4ccccc4)sc2	3445
+c1(c2[nH]c(C(=O)NC3Cc4ccccc4C3CSCCC(OC)=O)cc2sc1Cl)Cl	786
+c1ccccc1COc2c(cccc2CC(O)CSCCC(=O)OC)C3CCCC3	5725
+CC(C)(C)OC(=O)NC(C(=O)NCCS)C(C)C	5726
+CCOc1cccnc1CSCCN	3446
+CN(C)Cc1nc(CSCCN)ccc1	5727
+c12cc(C)ccc1N(CCCCCC)C(C(C3NCCS3)=C2OC)=O	5728
+c1cc(ccc1C2=NCCS2)CNS(=O)(=O)c3ccc(cc3)F	5729
+C12CC3(CC(C1)CC(C3)C2)CNC(c4c(Cl)ccc(c4)NCCNCCSC)=O	284
+CSCC(=O)NCCSC	9
+CC(C)(C)OC(n1c2ccc(cc2cc1C(=O)OCC)OCCSC)=O	20
+S(CCOc1c([N+]([O-])=O)cccc1)C	57
+c1nc(ncc1OCCSC)NC(=O)CCCCC	1897
+O=S(=O)(CCCl)CCC(NCCSC=C)=O	68
+c1(Nc2nccc(CSCCO)c2)cc(c(cn1)F)-c3c(OC)cc(cc3)F	346
+n1c(ncc(CC2=CC(=O)N(CCCC)C=C2)c1O)NCCSCc3nc[nH]c3C	1898
+N#CC(C#N)=C(NCCSCc1c([nH]cn1)C)SC	5730
+n1c(ncc(c1O)Cc2ccc(nc2)OC)NCCSCc3nc[nH]c3C	1898
+n1c(ncc(c1O)Cc2cc(ccc2)OC)NCCSCc3nccs3	1898
+C(CSc1ccnc(CSc2nc3ccccc3[nH]2)c1C)CCSCCn4c(cnc4C)[N+]([O-])=O	602
+C(CSc1c(c(ncc1)CCl)C)CCSCCn2c(cnc2C)[N+]([O-])=O	515
+c1ccc(cc1OCC)CCN	157
+c1cc2c(cc1CCN)NC(=O)C(C)O2	157
+C[Si](C)(C)OC(CCCC)(CC=C[Sn](CCCC)(CCCC)CCCC)C(F)F	2449
+C(CC[Sn](CCCC)(CCCC)C=CCC(C)(CCOC)O[Si](C)(C)C)C	2449
+C(CC)C[Sn](CCCC)(CCCC)C=CCC(CF)(CCCC)O[Si](C)(C)C	2449
+CCCC[Sn](CCCC)(CCCC)c1nccc(Cl)n1	5731
+c1(cccc(C)c1CNc2cc(Cl)nc(C#CC)c2[N+]([O-])=O)C	5732
+CCCC[Sn](CCCC)(CCCC)c1sccc1P(OCC)(OCC)=O	2450
+CCCC[Sn](CCCC)(CCCC)c1nccc(c1)OCC2CC2	3447
+C(C)CC[Sn](CCCC)(CCCC)c1sc(nc1)C2(CCC2)OCOC	5733
+CCCC[Sn](CCCC)(CCCC)c1sc(cc1)C2OCCO2	2450
+C(C[Sn](CCCC)(CCCC)c1oc(nc1)C(C2CCc3cc(ccc3C2)-c4ccccc4)O[Si](C)(C)C(C)(C)C)CC	5734
+CCCC[Sn](CCCC)(CCCC)c1nc(ccc1)OC(C)C	3447
+C(CC)C[Sn](CCCC)(CCCC)SCC	3448
+C(C[Sn](CCCC)(CCCC)c1c2ccc(cc2n(n1)C)Cl)CC	5735
+CCCC[Sn](CCCC)(CCCC)c1cn(-c2nc(C(F)(F)F)cc(-c3cc(Cl)c(Cl)cc3)n2)cn1	5736
+CCCC[Sn](CCCC)(CCCC)SC	3448
+C(CCC)[Sn](CCCC)(CCCC)c1cccnc1F	5737
+CCCC[Sn](CCCC)(CCCC)c1sc2ccccc2n1	5738
+C(C)CC[Sn](CCCC)(CCCC)c1ccc(F)cc1C#N	5739
+CCCC[Sn](CCCC)(CCCC)c1ccc(-c2ccc(cc2)OC)s1	2450
+C[Si](C)(C)CCOCn1cc(c2nc(-c3c4c(n(C)n3)cc(cc4)Cl)cnc12)C=O	5740
+FC(F)(F)c1nn(-c2cnc(cc2)S(=O)(=O)N)c(-c3ccc(cc3)-c4cscn4)c1Cl	5741
+CC(C)(C)[Si](C)(C)OC(C1Cc2ccc(Oc3ccccc3)cc2CC1)c4ncc(-c5nc(C(=O)OC)ccc5)o4	3449
+CC(C)(C)[Si](C)(C)OC(C1Cc2ccc(cc2CC1)-c3ccccc3)c4oc(-c5ncccc5)cn4	3449
+c1c(OC(Cc2c(C)ccc3c2cccc3)C)c([N+]([O-])=O)ccc1	57
+C(Cc1cc(N)ccc1Cl)(OCC)=O	0
+Clc1cccc(Cn2c(c(CC(OCC)=O)c3cc(OC)ccc23)CC)c1	962
+n1c2c(ccc1Cc3c4cc(C#N)ccn4c(c3C)CC(=O)O)cc(cc2)F	3
+CN(C)C=C(C(=O)OCC)c1ccc(cc1OC)C#N	5742
+n1ccc2n1c(Cl)c(c(n2)Cl)CC=O	465
+n1ccc2n1c(Cl)c(CCCO)c(n2)Cl	347
+c1(C=O)ccc2c(ccc(Cl)c2CC(OCC)=O)c1	3450
+c1cc(ccc1F)S(=O)(=O)c2c(cccc2)Cn3c(C)c(c4ccc(F)cc34)CC(=O)OCC	190
+c1c(OC)ccc2c(CCO)coc12	44
+c1c(c(ccc1C)[N+]([O-])=O)CC(=O)O	3
+c1(Cl)cc(CC(OCC)=O)c(cc1O)C	5
+CC(C)(C#N)c1cc(OC)c(OC)cc1	2451
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c3cc(CCC)cc(CCC)c3	92
+O(CC)c1cc(c(cc1)[N+]([O-])=O)CC(=O)OCC	57
+CC(C)(C)OC(=O)NC(C(N1CCN(CC1CC)C(Cc2ccc3ccccc3c2)C(OC)=O)=O)Cc4ccc(cc4)Cl	10
+O=C(Cc1cc(c(-c2ccc(cc2F)F)cc1)F)Cl	130
+CC(C)(C)C(NC(Cc1ccc(C)c(F)c1)=O)n2c3ccccc3nn2	5743
+CC(C)(C)OC(=O)Nc1ccc(nc1)CC(OCC)=O	970
+COc1ccc(c([N+]([O-])=O)c1)CC(=O)O	3
+C(Cc1ccc(N)cn1)(OCC)=O	13
+C(c1cccc(n1)N)CO	44
+C(c1cccc(n1)N)CS	1113
+CC(C)(C)OC(=O)N(CCc1ccccc1Cl)CCCSCCO	23
+O=S(=O)(c1ccc(cc1)F)NCCc2n(ccc2)C	71
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CCCCNC(CCc4cnccc4)=O	248
+c1cc(ccc1NCCc2cnccc2)[N+](=O)[O-]	60
+C(Cc1c(c(c2cc(C#N)ccn12)Cc3nc4c(cc3)cc(cc4)F)C)(OCC)=O	5744
+C(c1nc(Cl)ccc1)CO	44
+n1c(NC)cccc1CCO	44
+C(OC(=O)CNCCCc1nc(ccc1)Br)C	5745
+COc1nc(CCO)ccc1	44
+c1cc(ccc1CC(NCCN(C)C)=O)NC(=O)CCc2onc(n2)-c3cc4c(cccc4)cc3	33
+C(CCC)c1nc(nn1Cc2ccc(Br)nc2)CCCC	5746
+CCCCCCCCCCCCc1ccc(C(O)=O)s1	3451
+C1CCc2ccc(cc2-c3nc(NC(CCCCBr)=O)sc13)F	290
+c1ccccc1CNC(c2sc(NC(CCCCBr)=O)nc2C)=O	290
+c1(c[nH]c2c1cc(cc2)NC(CCCCC)=O)Cc3c(cc(cc3)C(=O)OC)OC	26
+c1cc(ccc1NC(CCCCC)=O)C(=O)OC	26
+c1ccccc1C2C(N(C(=O)CCCCC)C(O2)=O)C	1840
+C(c1sccc1)(CCCCC)=O	1808
+c1nc(ncc1OC)NC(=O)CCCCC	784
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(CCCCCl)=O	3308
+c1c2CCOc2ccc1C(CCCCCl)=O	94
+CC(C)C(NC(CCCCCl)=O)C(=O)OC	726
+o1c2c(c(c1C(CCCCCl)=O)C)cc(OC)cc2	5747
+C(CCCCCl)(c1cc(Cl)c(NC(C)=O)cc1OC)=O	94
+c1c([N+]([O-])=O)cc(NC(CCCCCl)=O)cc1C(=O)OC	26
+c1cc(ccc1C(OC)=O)-c2c(cc(NC(CCCCCl)=O)cc2)C	26
+c1ccccc1C(CCCCCl)=O	94
+O=C(NNc1ccc(cn1)F)N2C(C)CCCC2	2452
+n1n(c(C(N)=O)c(NC(c2ccccc2OCC=C)=O)c1CCC)C	3452
+S1c2cccc(c2C(c3c1ccc(C)c3)=O)C(=O)OCCCCCCCCCCCC	279
+CC(C)Oc1ccc(cc1)-c2ccc3oc(-c4cc(ccc4Cl)[N+](=O)[O-])nc3c2	2453
+CC(C)NC(=O)CNC(=O)c1cc(ccc1[N+]([O-])=O)F	5748
+C1CN(CCC1(CNC(c2ccccc2OC)=O)c3ccccc3)Cc4ccccc4	93
+c1(-c2ccccc2OC)nc3ccc(cc3c(O)n1)F	5749
+NC(c1sccc1NC(c2ccccc2OC)=O)=O	3453
+c1c(cccc1Nc2nc(ccn2)-c3c(-c4cc(NC(c5ccccc5OC)=O)ccc4)nn6ccccc36)F	50
+c1cnc(C(=O)c2ccccc2OC)n1CC(c3ccc(c(c3)Cl)Cl)CCOC4OCCCC4	5750
+c1c(CCC)c(c(C(N)=O)nc1)NC(c2ccccc2OCC)=O	660
+NC(=O)c1c(C)nn(CCC)c1NC(c2ccccc2OCCC)=O	330
+c1cc(ccc1C#N)CC(NC2CCN(CC2)C(CO)C)=O	3357
+c1(Cl)c(C(Nc2c(cc(C)cc2)O)=O)cc(Cl)s1	1899
+c1cc(ccc1OC)C(=O)c2c(Cl)c(C)ccc2	222
+n1cnsc1-c2nnc3CN(C(=O)c4c(c(Cl)c(F)cc4)C)CCn23	115
+c1(c(cccn1)C(=O)N)Nc2cc([N+]([O-])=O)ccc2	3454
+CC(C)(C)[Si](C)(C)OCc1ccc2c(nc(CN(C(=O)c3c(ccc(F)c3)F)CCC)n2CCC)c1	115
+COc1nccc(c1)NC(c2cc(ccc2F)F)=O	50
+C12CC3CC(C1)CC(C2)(C3)NC(=O)c4c(Cl)nc(cc4)Cl	1281
+FC(F)(F)C1CCC(CC1)NC(c2ccc(nc2Cl)Cl)=O	1281
+c1cc(c(Cl)nc1Cl)C(N(OC)C)=O	5751
+c1cc(ccc1C(N2Cc3ccnn3Cc4ccccc24)=O)NC(=O)c5c(c(F)ccc5)C	50
+N=1NC(=O)N(c2cccc(I)c2C)N=1	5752
+O=S(=O)(Nc1ccc(c(c1Cl)NC(c2c3c(c(Cl)ncn3)ccc2)=O)Cl)CCC	971
+O=S(=O)(CCC)Nc1c(F)c(NC(c2cccc3c2ncnc3Cl)=O)c(cc1)F	971
+C1CN(CCN1C(CCl)=O)C2CCC2	1227
+c1cc2c(cc1)N(CC3CCCCCN23)CC(N)=O	5753
+CC1(C)OCc2c(c3c(c(C(=O)N)sc3nc2N4CCCC4)N)C1	3455
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc3oc(C(=O)N)cc3c2	5754
+C(COc1cccc(N)c1)(N)=O	648
+c1ccccc1-c2c(c3c(nn(c3nn2)CC(=O)N4CCC(F)C4)I)Cl	3456
+[O-][N+](c1cc2nc(sc2cc1)SCC(N3CCCc4ccccc34)=O)=O	5755
+O=S(=O)(c1ccc2CCC(Oc2c1)CNCC(=O)NC)c3cc(ccc3)F	402
+c1(ccc(C(=O)NCc2c(OCC(=O)NC)cc(cc2)C#N)cc1C)F	648
+ClC(Cl)=C(Cl)c1cc(O)c(cc1)CNC(=O)CCl	3457
+c1cc(ccc1Cl)C(c2cn(c(C(=O)CCl)c2)C)=O	787
+CC(C)(C)c1cc2OC3(CCCCCC3)Cc2cc1OCC(=C)C	1282
+CC(C)C(O)(CC(C)=C)CCNC(c1ccc(cc1)Br)C	5756
+C(Oc1cccc(OC)c1I)C(=C)C	1282
+O(CC(=C)C)c1c(NC(C)=O)cccc1	1282
+O(CC(=C)C)c1c(C)c(C)c2c(c1)CCN2C=O	1282
+C1CCCC1C(C(OC)=O)c2ccc(cc2)OCC(=C)C	1282
+CC(C)(C)N1CC(C1)OCc2ccccc2	5757
+n1n(cc([N+]([O-])=O)c1)CC(NC(C)CO)=O	1114
+c1(c2cccnc2[nH]c1)CCCl	1283
+C1CC(CCN1CC(=O)c2ccc(c(F)c2)O)(O)c3ccc4CCOCc4c3	1498
+c1ccccc1COc2c(F)cc(C(=O)CCl)cc2	22
+n1ccncc1C(CCl)O	3458
+c12ccc(c(c1occ2CC(=O)O)Cl)O	5758
+c1ccccc1COc2ccc3c(c2)OC(C=C3CCl)=O	22
+c1nc(n2c1cncc2)CCCl	856
+CN(C)CCC(=O)Nc1cccc([N+]([O-])=O)c1	2454
+CC(C)(COC)C1N2C(=CC(C(C(OCC)=O)=C2)=O)c3cc(c(cc3C1)OCCC4CCCN4C)OC	72
+C1(CCCN1C)CCN2c3ccc([N+]([O-])=O)cc3OCC2=O	1525
+c1(OC)n(c2nc(nc(N)c2n1)OCCCC)CCCCl	637
+C1(C2(C)C(CC1)C3C(C4(C)CCC(CC4=CC3=NOCCCCl)OC(=O)C)CC2)OC(C)=O	1071
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(ccc(OCCCCl)c4)Cl	8
+n1n(C)c(OCCCCl)cc1C(=O)OC	5759
+CC(C)(C)NC(CN1C(=O)c2cc(ccc2C=C1c3cc(c(F)cc3)OC)OCCCN4CCCC4)=O	5760
+C1CC(CCN1CCCCl)n2ccc3ccccc23	28
+C1CN(CCN1CCCCl)C=O	28
+C1CN(CCN1CCCCl)Cc2ccc3ccccc3n2	28
+CC(C)(C)OC(=O)N1CCC(C1)N(CCCCl)c2cc(Cl)c(cc2)F	936
+CC(C)(C)OC(=O)N1CCN(CC1)CCc2ccc(cc2)OCCCCl	8
+CC(C)(C)c1nc(cc(C2CC2)n1)N3CCN(CC3)CCCCl	28
+CC(C)(C#N)CCCCl	2455
+CC1(C)C(N(c2c(N(C)C1=O)cc(OCCCCl)cc2)CC)=O	8
+C(Cl)CCN1CCCC1C	28
+c1cc(ccc1OCCCN2CCCC(C2)C)C=O	5761
+C(CCl)CN1C(=O)c2c(C(=N1)C)cc(OC)c(OC)c2	5762
+C(Oc1ccc(C(=O)C)c(C)c1)CCCl	8
+Cc1c2c(n(C)c1)C(CCN(C2=O)CCCCl)=O	3459
+c12c(nc(C)cc1)cccc2-c3nnc(SCCCCl)n3C	5763
+Cc1c(-c2nnc(SCCCCl)n2C)sc(C)n1	5764
+O=S1(=O)N(CCC(=O)c2n(C)ccc12)CCCCl	831
+c1(Cl)cccc(Cl)c1C(=O)NC(C(OC)=O)Cc2ccc(cc2)OCCCCl	8
+c1(cc(cc(F)c1OCCCCl)C(C)=O)F	8
+c1(cccc(-c2cnn(CCCCl)c2)n1)C(=O)OC	338
+c1(cccc(OCCCCl)c1)Br	8
+S(C)c1c2Sc3ccc(OC)cc3N(c2ccc1)CCCCl	2396
+c12cc(cc(c1c(ncn2)Nc3cc(Cl)c(F)cc3)OC4CCOC4)OCCCCl	8
+c1c(OCCCCl)c(cc(C(COC(C)=O)=O)c1)OC	8
+c1cc(OCCCCl)c(F)cc1Br	8
+c12c(cccc1)Oc3c(cccc3)N2CCCCl	2396
+c1cc(F)cc(N2C(SCC(=O)OCC)=Nc3scc(c3C2=O)-c4ccccc4OCCCCl)c1	8
+c1cc(ccc1)N2c3c(cccc3)CC(CCCCl)C2=O	5765
+c1ccccc1OCCCCl	8
+c1ccccc1SCCCCl	636
+c1cc(ccc1-c2n3c(ccn3)nc4CCCCCc24)OCCCCl	8
+c1cc(ccc1OCCCCl)C=C(C)C(OC)=O	8
+c1cc(ccc1CCCCN2C(CCC2)CN3C(=O)c4c(C(Cc5ccc(cc5)Cl)=N3)cccc4)OCCCCl	8
+c1cc(ccc1COc2c(cc(cc2)C(=O)c3cn(c4ccccc34)CCCC(=O)OCC)OCCCCl)C	8
+c1cc(ccc1F)-n2c(N)c(cn2)C(=O)c3cccc(c3)NCCCCl	601
+c1cc(ccc1OCCCCl)I	8
+c1cc(ccc1-c2ccc(cc2)OCCCCl)C(OC)=O	8
+c1cc(ccc1OCCCCl)-c2ccc(cc2C)C#N	8
+c1cc(ccc1C(N)=O)OCCCCl	8
+c1cc(ccc1OCCCCl)C(=O)OC	8
+c1cc(ccc1OCCCCl)NC=C2c3ccccc3NC2=O	8
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(c(cc45)OC)OCCCCl)C)C	8
+C(Oc1cccc(c1)C(=O)OC)CCCl	8
+c1(c(c2c(OCC(N2CCCCl)=O)cc1)F)F	727
+c1(Cl)c(CC)c(c2c(N(CCCCl)C(CO2)=O)c1)Cl	727
+CC(C)(C)c1cc2N(C(COc2cc1)=O)CCCCl	727
+CC(C)c1cc(c(C)cc1OC)C(CCCCl)C(=O)OC	434
+COc1cccc2c(C(=O)C)cn(CCCCl)c12	557
+FC(F)(F)c1cc(Cl)ccc1C(C(=O)OC)CCCCl	434
+C1COC(O1)(CCC#CCCCCl)C	5766
+O=S(=O)(c1ccc(c(F)c1F)F)CCCCl	2456
+O=S(=O)(CCCCl)c1cc(c(cc1)O)C(=O)O	5767
+C1(N(CCCCl)c2c(CC1)cc(F)c(F)c2)=O	727
+c1(F)ccc2N(CCCCl)C(COc2c1F)=O	727
+C1(CCc2c(ccc([N+]([O-])=O)c2)N1CCCCl)=O	727
+C1CSc2cc([N+]([O-])=O)ccc2N1CCCCl	2457
+C(Oc1cncc(Br)c1)CCCl	788
+c1cc(OCCCN2CCCC2C)c(F)cc1Br	72
+Clc1c(SCCCCl)c([N+]([O-])=O)ccc1	972
+c1cc(ccc1[N+]([O-])=O)SCCCCl	411
+c12cc(C3=CC4N(CCOc5cc(cc6cccnc56)OC)C(C3)CC4)ccc1cccc2	2430
+O=C(NCCn1ncnc1)N2C(=O)CCC2	3460
+N1(CCNC1=O)c2cccnc2	3461
+FC(F)(F)c1cc(-c2ccc(cc2)-c3cc(ccc3)S(=O)(=O)C)n(CC(OCSC)=O)n1	5768
+c1(c(NC(C)=O)ccc(c1)OCSC)[N+]([O-])=O	3462
+c1(C=O)cccc(OCSC)c1	3462
+c1(CC#N)c(Oc2cc(ccc2)F)cccc1	177
+c1ccnc(N)c1OCc2c(Cl)cccc2	1900
+c1cc(ccc1)C(Oc2cc(Cl)c(c(c2)Cl)OCc3ccccc3Cl)=O	139
+O(Cc1c(Cl)cccc1)c2c3n(ccc2)cc(C)n3	5769
+CC(C)(C)OC(NC1C(N(Cc2cnccc2)CC(O[Si](C)(C)C(C)(C)C)CC1)=O)=O	3463
+C1CN(CCN1Cc2cnccc2)c3nc(nc(NCCc4ccc(cc4)O)n3)N(C)CCCc5ccc(cc5)Cl	3464
+c1cc(ccc1-c2c(c(SCc3cnccc3)nc(c2C#N)N)C#N)OC4CCCC4O	5770
+n1c(SCc2cc(F)ncc2)c(ccc1)C(=O)O	3465
+C1CCCN1Cc2cnc3c(nc(-c4c(cccc4)[N+](=O)[O-])s3)c2	3464
+c1(C)scc(CSc2nc3c(c(n2)NC(C)CO)sc(N)n3)n1	5771
+Clc1c2c(nc(CCl)n1)cc(OCC)c(OCC)c2	64
+C(CSc1ccnc(c1C)CO)CCSCCn2c(cnc2C)[N+]([O-])=O	1105
+NCCn1c2c(cc(C(=O)N3C4C(CCCC4)CCC3)cc2)nc1	18
+c1c(CN)c2c(cc1)ccn2CC(=O)O	388
+C(Cn1c2c3c(cccc3)nc(N)c2nc1CCC)CCCC(=O)N	461
+C(Cn1c(nc2c[n+]([O-])c3ccccc3c12)CCC)CCCC(=O)N(OC)C	359
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)N(OC)C	164
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)O	3
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)N	728
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(O)cc4c(C(=O)C)c3	348
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(cc4c(C(=O)C)c3)C(=O)OC	348
+Nc1ncn(CCC#N)c1	1901
+CC(C)(C#N)c1cc(C)c(C(C)NC(=O)Cn2c3c(cccc3nc2)F)cc1	2458
+c1(C(O)=O)nn(CCCCC)c2ccccc12	1
+n1cc2cc([N+]([O-])=O)ccc2n1CC(C#N)(C)N	661
+O=C(OC)C(CF)(Cc1cc(ccc1)O)N	27
+c1cc(ccc1OCC(C(CF)(CF)C)=O)Cl	717
+C(F)C(CF)(C(=O)Cn1ncnc1)C	5772
+FCC(CF)(C)c1noc(N)c1	2459
+C1OC(OCC1CO)(CF)CF	1526
+c1cc(ccc1C)S(=O)(=O)OCCOCCF	36
+C1CN(CCN1c2n3c(ccc2)nc(c3)CN(C4c5c(OCC4)cccn5)C)C	1902
+c1c2n(c(c(n2)CN(C)C3c4c(CCC3)cccn4)Br)c(cc1)F	973
+C1CN(CCN1c2cccc3nc(CN(C)C4CCCc5c4nccc5)cn23)CC	1902
+c1c(I)cc2c([nH]nc2C(N(OC)C)=O)c1	184
+C(N(C)c1n[nH]c2ccc(N)cc12)C(NC)=O	0
+O=S(=O)(C)Nc1cc(cc(N(CCC)C)n1)C(OC)=O	5773
+s1c(N2C(O)CCN(CCC)C2=O)nnc1SC	1903
+c1cc(ccc1)CCN2C3C(c4cccc(OC(=O)N(C)C)c4CC3)CC2	5774
+Clc1cc(c(cc1)C(C2CC2C#N)=O)F	586
+FC(F)(F)c1cc(F)c(cc1)C(=O)C2CC2C#N	586
+N#CC1CC1C(c2ccc(cc2Cl)F)=O	586
+c1cc(ccc1Cl)S(=O)(=O)NC2CCCCC2C(N)=O	71
+c1ccccc1CNc2c(cnc(c2)Cl)CC(N)=O	105
+CC(C)(C)OC(NC(C1CCCCC1)C(=O)NC(C(=O)N)Cc2cnccc2)=O	207
+C(=O)(C(NC(C)=O)CSC)O	3466
+C(C)(c1ccc2N(C(Sc2c1)=O)COC)C(N)=S	199
+Clc1cc(ncc1)C(C)Nc2nc3c(o2)c(cc(c3)C(=O)OC)OC	1527
+CC(C)(C)OC(NC(C=1N=C2SC=C(C)N2C(=O)C=1Br)C)=O	5775
+CC(C)(C)OC(NC(Cc1ccccc1)C(=O)NC(CCCNC(N[N+]([O-])=O)=N)C(O)=O)=O	5776
+CC(C)(C)OC(NC(C(O)=O)CCl)=O	5777
+Oc1c(CNC(CO)C(=O)O)cccc1	1528
+O=S(=O)(c1ccccc1)NC(CO)C(=O)O	592
+CC(C)(C)OC(=O)NC(Cc1sccc1F)C(O)=O	403
+n1c(Nc2c(cccc2)OCCC)scc1C3=Cc4cccc(Cl)c4OC3=O	3467
+O(CCC#Cc1cccc(c1)NC(=O)N)CCCCCCBr	121
+C(N)(Nc1cccc(CC2CCCN2CC)c1)=O	5778
+CC(C)(NCC(F)(F)CN)C(=NO)CCn1c([N+]([O-])=O)ncc1	5779
+O=S(=O)(c1c(Cl)cc(cc1)Cl)NCC(O)CN	71
+C1CC(CCC1N(Cc2cc(OC)ccc2)C)N(c3cc(Cl)cc(C(NCC4=C(C)N(NC4=O)C)=O)c3C)CC	2460
+c1cc(ccc1)C=C(C)CNCCC2N(CCC2)C	5780
+C1CC(CCN1CCCN)(C(=O)OC)c2ccccc2	28
+C(c1ccc2OCOc2c1)NCCCBr	42
+CC(C)(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCCBr	1904
+c1ccccc1COC(NCCCBr)=O	101
+c1ccccc1NC(=O)NCCCBr	282
+n1c(c2c([nH]cc2)nc1Cl)NCCCCCN	974
+c1cc(ccc1NC(=O)NCCCCl)[N+](=O)[O-]	282
+c1ccc2Oc3c(cccc3)-c4c(-c2c1)c(sc4)COCCCN	649
+c1cc(ccc1-c2nc3cc(ccn3c2)NCCCF)OC	5781
+Fc1cccc(F)c1S(=O)(=O)Nc2c(ccc(-c3nc(sc3-c4ccnc(NCCCN5CCCC5=O)n4)C(C)C)c2)F	96
+c1cc(ccc1)-c2ccc3c(c(cnc3c2)[N+](=O)[O-])NCCCN4C(=O)CCC4	105
+FC(F)(F)C(NCCCNC)=O	605
+O=S(=O)(c1ccccc1[N+]([O-])=O)N(C)CCCN	92
+CCOC(c1cc(c(NCCCOC)nc1)[N+](=O)[O-])=O	70
+n1c(Cl)cc(nc1NCCCOC)Cl	96
+C(OC)CCNc1nccc(-c2nc3c([nH]2)ncc([N+]([O-])=O)c3)c1	70
+c1cc(ccc1)C(N(S(=O)(=O)c2ccc(cc2)Cl)Cc3ccc(cc3)C(=O)NCCCOC)CC	14
+c1cc(ccc1)COc2cc(c(Br)cc2C(=O)NCCCOC)OCc3ccccc3	14
+c1cc(ccc1CCNCCCOC)-c2nc(c(nc2)N)C(=O)Nc3cccnc3	285
+C1CN(CCO1)c2nc(c(-c3ccnc(NCCCSC)n3)s2)-c4cccc(NS(=O)(=O)c5c(cccc5F)F)c4F	96
+S(C)C(=C[N+](=O)[O-])NCCCSc1ncco1	3468
+c1nc(c[nH]1)CNC(c2sc(cc2)Cl)=O	227
+CC(C)Oc1cc(CCc2[nH]nc(c2)Nc3ccnc(n3)NCc4onc(c4)C)ccc1	96
+C1CC1c2sc3NC(=O)N(C(=O)c3c2)Cc4ccc(cc4OC)OC	5782
+CC(C)(C)[Si](C)(C)OCc1n(C)c2c(cc3C(CCCCc3c2)=NCc4ccc(OC)cc4OC)c1	1529
+CC(C)(C)[Si](C)(C)OCc1n(C)c2c(cc3C(CCCCCc3c2)=NCc4ccc(OC)cc4OC)c1	1529
+CC(C)(c1cc(NCc2ccc(cc2OC)OC)nc(C)c1)O	70
+c1cc(ccc1)C=Cc2nccc(-c3[nH]c(c(C(NCc4ccc(cc4OC)OC)=O)c3)C(C)C)c2	56
+C1(c2cc(CC)sc2NC(N1Cc3ccc(cc3OC)OC)=O)=O	5783
+c1ccccc1CS(=O)(=O)NCc2c(OC)cc(OC)cc2	111
+C(c1c(cc(OC)cc1)OC)Nc2nc3c(cc(F)cc3)nc2OC	1284
+c1ccccc1N2c3c(nc(NCc4c(OC)cc(OC)cc4)cc3)CN(Cc5ccccc5)C2=O	182
+c1cc(ccc1)COc2cccc(CS(=O)(=O)NCc3c(OC)cc(OC)cc3)c2	111
+c1cc(ccc1OCc2ccccc2)CS(=O)(=O)NCc3c(OC)cc(OC)cc3	111
+c1c(c(ccc1OC)CNc2ncc(cc2)F)OC	182
+[O-][N+](c1ccc2nc(ccc2c1)NCc3c(cccc3)OC)=O	554
+c1(ccccc1CNc2ccc3cc(ccc3n2)Br)OC	554
+C1CN(CCN2C(=O)C=Cc3ccc(C#N)cc23)CC(OC)C1NCc4ccc5c(n4)NC(=O)CO5	294
+C(N1C(=O)C=Cc2ncc(OC)cc12)CN3CC(CCC3)CNCc4nc5NC(=O)COc5cc4Cl	294
+C1CCCN(CC1)CCCOc2ccc(cc2)CCCCN3C(CN4C(=O)c5ccccc5C(Cl)=N4)CCC3	123
+C(CCC)N1C(=O)c2c(nc(C(N)=O)n2CC=C)N(C1=O)CCCC	5784
+CC(C)OC=1C=C(C)N(C(=O)C=1[N+](=O)[O-])CC(=O)OC	5785
+FC(F)(F)S(=O)(=O)OC=1C=C(C)N(C(=O)C=1[N+](=O)[O-])CC(=O)OC	5786
+C(N1C(C(O)(c2c(Br)cccc12)c3cc4c(cc3O)OCC4)=O)c5ncccc5	1115
+c1(CN2C(CN)CN(c3cc(cc(Br)c3)OC)CC2)ccc(OC)c(c1)OC	15
+C(c1ncccc1)N2C(=O)C(c3c(cc4c(CCO4)c3)O)c5c(Br)cccc25	462
+C(N1c2c(c(Br)ccc2)C3(COc4cc5c(cc34)CCO5)C1=O)c6ncccc6	20
+C(N1C(c2c(C(=C1)C(=O)OC)cc(c(c2)OC)Br)=O)C	1078
+OB(O)c1cc2C(=CN(CC)C(c2cc1OC)=O)C(OC)=O	5787
+C(C1=CN(C(c2c1cc(c(OC)c2)OCCc3nc4c(cc3)cccc4)=O)CC)(=O)OC	126
+CC(C)(C)OC(CC(C(O)CF)NC(C(C)N1C=CC=CC1=O)=O)=O	9
+C(CN1CCCC1C)N	51
+C(CN1CCCC1CO)N	51
+c1(cc(cc(F)c1-c2sc(Nc3nc(ccc3)CN4CCOCC4C)c(c2)C(=O)N)C(C)(C)O)F	2461
+C1c2cc(ccc2CCN(CCC)C1)CO	98
+C(N1c2cccc(-c3cnccc3)c2C4(COc5cc6c(cc45)CCO6)C1=O)c7ncccc7	305
+C(N1c2c(ccc(c2)-c3nc(cs3)C(=O)O)CC1)(Nc4sc5c(cccc5)n4)=O	6
+C1C(C(CN(CCN2c3cc(cc(F)c3C=CC2=O)F)C1)O)NCc4ccc5c(n4)NC(=O)CO5	294
+C1(=O)C(C(Nc2[nH]nnn2)=O)=Nc3c(cccc3)N1CCO	5788
+C(N1c2ccccc2N=C(C(Nc3[nH]nnn3)=O)C1=O)COC=O	5789
+c1cc(ccc1NC(NC(c2c([N+](=O)[O-])cccc2)=O)=O)Sc3ncc(cn3)Br	2462
+NCC1Cc2c(O1)c3c(c(c(nc3c(C)c2)O)C)C	18
+O=S(=O)(N1C(CC(F)C1)C(=O)NCc2ccnc(Br)c2)c3ccc(cc3)F	3469
+Cc1nc(sc1C(NCc2cnccc2)=O)-c3[nH]ncc3	3470
+COc1cc2c(C(CNC(C)=O)=O)cccc2cc1	155
+CC(C)n1nc(I)c(-c2nc(NCC(C)NC(=O)OC)ncc2)c1	96
+N(=[N+]=[N-])CC(NC(=O)OC)C	600
+C1CC1NC(Nc2ccc(cc2)-c3nc(N4C(COCC4)C)c5CN(C(=O)CCNC(N)=O)Cc5n3)=O	10
+c1cc(ccc1CCCN(CCNC(c2c(N)nc(N)c(Cl)n2)=O)C)OCC(OC)=O	28
+c1(NC(=O)CCNC(c2sc(cc2)Cl)=O)c(C(=O)OC)cc(N3C(=O)C=CC=C3)cc1	33
+[nH]1c(c(c2c1cccc2)CC)CNC	729
+C(C1=CC(C)(COC)Oc2ccc([N+]([O-])=O)cc12)(=S)NC	5790
+CC(C)(C)OC(N(C)Cc1ccccc1I)=O	23
+C(C1C(CC(O)C1)C(=O)N(CCCCC=C)C)(NC2(CC2C=C)C(=O)OCC)=O	10
+N1C(C2CC(CC2C(N(CCCCC=CC3C1(C(OCC)=O)C3)C)=O)OCOCC)=O	2463
+c1ncc2cc(Br)ccn12	1905
+CC(C)(C)OC(N(CCO)CC(O)c1cnc(Cl)cc1)=O	23
+C(c1cc2sc(NC(NCC)=O)nc2cc1)(=O)O	5791
+C(OC(N(CCCC)CCO)=O)C	66
+C(CCNC(c1ccc2ccccc2c1)=O)C=O	24
+CC(C)(C)OC(NC=1CC(C(N(CCCF)CCC)=O)=Cc2ccc(Br)cc2N=1)=O	3439
+c1ccccc1-c2ccc(cc2)C(NC(=O)CNC(NCCCNc3ccccn3)=O)CC#N	9
+c1cc(ccc1CN(CCCN2C(Nc3c(nc(nc23)OCCCC)N)=O)CCCO)CC(=O)O	48
+c1cc(ccc1OCC(O)CNCCNC(=O)Nc2ccc(O)c(F)c2)OCCOC3CCCC3	122
+C(NCCO)(c1c(Nc2c(cc(CC)cc2)F)cc(O)nc1)=O	1818
+c1cc(ccc1)CN2CCC(CC2)N(CCCO)CCO	85
+CC1(C)C(N(CC)c2ccc(CN(CCc3cccnc3)Cc4scnc4C)cc2N(C)C1=O)=O	48
+C(NCc1ccc(c(Cl)c1)Cl)(c2ccc(C(=O)O)s2)=O	6
+c1c(O)c(C=2OC(NN=2)=O)ccc1	5792
+c1(cc(ccc1)C#N)-c2nnc(o2)-c3cccnc3	5793
+CC(C)OC(=O)COc1ccc(c(c1C)NCc2cc(cc(OC)c2)-c3cccc(F)c3)C	52
+c1cc(c(c(F)c1OCC(OCC)=O)NCc2cc(OC)cc(-c3cc(F)ccc3)c2)F	52
+O=S(=O)(C)N(Cc1cccc(CC(=O)OC)c1)CCCc2c(C)nc(nc2NCCCCC)N	112
+c1cc(C)nc2NCC(Nc12)=O	1530
+CCOC(=O)CCCCCCCCCCCn1c(nc2cnc3ccccc3c12)CCC	730
+c1ccccc1-c2c3c(nccc3sc2)NCc4ncccc4	5794
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCC(=O)Nc4c(O)ccc(C)c4	1531
+C(Nc1cccc(N)c1)(C=C)=O	0
+c12cc(OC)cc(c1c(Nc3cc([nH]n3)CC(Nc4cccc(c4)F)=O)ncn2)O	5
+c1cc(ccc1)COc2cccc(CC(=O)Nc3ccc(c(c3)Cl)Cl)c2	22
+C1CN(CCC1)CCNc2ccc3c(COC3=C4C(=O)Nc5ccccc45)c2	53
+N(c1cc(NC(=O)C=C)ccc1)c2ncnc(n2)Nc3cccc(Cl)c3	360
+Clc1ccc2CCCN(c3nc(Nc4cccc(c4)NC(=O)C=C)ncn3)c2c1	360
+COc1cc(cc(OC)c1OC)Nc2ncnc(Nc3cccc(NC(=O)C=C)c3)n2	360
+C1COCCN1c2c(cc(cc2)Nc3nc(-c4cccc(NC(C=C)=O)c4)c5cnn(c5n3)C6CCCCO6)O	55
+O(n1nnc2c1cccc2)c3nc(c(cn3)C(=O)N)NCc4cnn(C)c4	1906
+C(Nc1nc(Cl)ncc1C(=O)O)c2cnn(C)c2	6
+CN(C)Cc1cc(Cc2c(NCCCCC)nc(N)nc2C)ccc1	171
+C(Nc1nc(N)nc(c1Cc2cc(CCl)ccc2)C)CCCC	109
+Clc1ccc2oc(nc2c1)NCC3N(CCCC3C)C(=O)c4c(ccc(C)c4)-c5cc(ncc5)C	30
+COc1cc(cc(OC)n1)CCc2[nH]nc(c2)Nc3ccnc(n3)NCc4onc(c4)C	349
+N1(CCl)CCC(O)N(c2sc(nn2)CC=C)C1=O	1903
+O=C(CCCCCC#C)O	3471
+C1(N(c2cccc([N+]([O-])=O)c2)C(CC1(CC)C)=O)=O	5795
+C(C)(Oc1c(Cl)cccc1)c2sc(nn2)N	1087
+n1ccc(O)c(c1)NC(c2nccnc2N)=O	1285
+c1cc(N)c(NC(c2nccnc2N)=O)cc1	466
+C1c2c(CN(C(c3c4ccccc4nc(-c5cc(ccc5)F)n3)=O)C1)ccc(OC)c2O	147
+c1cc(cc2nonc12)CN3C(N(CC3)c4nc(c(s4)C(=O)NCc5cnccc5)C)=O	454
+c1ccc2c(sc(c2C)C(=O)OC)c1	1532
+CC(C)NCC(OC(C(O)C(C(O)C(CO)O)O)=O)c1c(c(C)cs1)C	27
+C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O	10
+C(O)(C)Cn1c2c3c(CCCc3n1)cc(c2)O	3472
+c1cc(ccc1)COc2cc3CCCc4c3c(n(n4)CC(C)O)c2	22
+c12c(c(c(C(CCC=C)=O)cc1ccn2C)C=C)F	155
+c1cc(ccc1OCCO)CC(NCC(c2cccc(n2)Cl)O)C	87
+n1oc2c(c1CCO)cccc2	21
+O=S(=O)(N1c2c(CC1)cc(cc2)-c3nc(NC(Cc4cc5c(OCO5)cc4)=O)sc3C)c6ccccc6[N+]([O-])=O	373
+C1C2(CC1)CN(c3c2cccc3)C(Cn4c(Cl)c(c5ccc(Cl)c(F)c45)Sc6c(F)c(C(OCC)=O)ccc6)=O	429
+c1nc(ncc1)N2CCN(CC2)C(Cn3c(Br)nc(Br)c3Br)=O	10
+n1c2c(c(O)nc1)cc3OCOc3c2	1116
+COc1c(Br)cc(c(OC)c1C(=O)O)Cl	662
+CC(C)(C)OC(N1CCN(CC1)C(=O)c2c3c(ccc2OC)cc(cc3)-c4cccc(OC)c4)=O	30
+c1(OC)c(c2c(cc1)cc(-c3cc(ccc3)OC)cc2)C(=O)NC	14
+C1C(CN1CCO)Oc2nc3c(cc(cc3)C#CC(C)(O)c4cc(on4)C)n2-c5nc(N)ncc5	5796
+c1c(ccnc1-n2nc(c3c2CCCC3)C(N)=O)C#CC(C)(O)c4cc(on4)C	1243
+c1c(cc(C(CCC)=O)c(F)c1)Br	155
+c1c(cc(F)c(C(CCC)=O)c1)Br	155
+Cc1c2ccc(C#CC(O)(C)c3cocn3)cc2n(-c4ccnc(N)n4)n1	5797
+C1(N(c2ncnc(OCC#CC)c2F)CC(C)CCC1)C	1470
+C(COc1cc(SC)ncn1)#CC	1470
+c1cc(ccc1OC(OCC(NC)=O)=O)[N+]([O-])=O	3473
+C1CN(CCC1COc2c3c(Nc4ccc(c(Cl)c4)O)ncnc3ccc2)C(CO)=O	10
+C1CC(CCN1C(CO)=O)c2c3CC(C)Oc3c(Nc4nc(Nc5ccccc5S(=O)(=O)C(C)C)ncn4)cc2C	731
+n1c2ccc(OCC)nc2n(C)c1CO	5798
+c1(C(=O)NCC2N(CC2)C(=O)CO)cc(F)c(nc1NCCc3cccc(F)c3)-c4cnn(C)c4	731
+c12c(cc(cc1)Nc3c4c(cccc4ncn3)OCC(C)N(C(=O)CO)C)ccn2Cc5ncccc5	731
+c12cc(cc(OCC3CC(CN3C(=O)CO)O)c1c(ncn2)Nc4cc(Cl)c(F)cc4)OC	10
+c1cc(ccc1-c2c(cc3c4nnc(CO)n4ccc3n2)-c5ccccc5)C6OCCO6	5799
+c1cc(ccc1)C(Nc2cncc(c2)Br)CNC(CO)=O	9
+n1c(c2cc(n(Cc3cc(Cl)ccc3)c2nc1SC)CC)OCC(OC)=O	3474
+FC(F)(F)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3cccc(COCC(=O)OC)c3	1907
+O(CC(=O)OC)c1ncc(Br)cc1[N+](=O)[O-]	2464
+O(CC(=O)OC)c1ncccc1[N+](=O)[O-]	2464
+c1([N+]([O-])=O)ccc(nc1)OCC(OC)=O	2464
+c1cc(ccc1)-c2c(Cn3c(cc4c3nc(nc4OCC(=O)OC)SC)CC)cccc2	3474
+c1cc(ccc1F)NC(=O)c2ccc(OCC(OC)=O)nc2	5800
+C=C(C)COc1cc(ccc1[N+]([O-])=O)F	5801
+C(O)C(CO)(C(OC)=O)c1cc(-c2nc3cc(C(=N)N)ccc3[nH]2)c(c(-c4cc(CN)ccc4O)c1)O	107
+OCC(CO)(c1cc(-c2c(O)ccc(CN)c2)c(O)c(c1)-c3[nH]c4cc(ccc4n3)C(=N)N)C(=O)O	4
+C(O)C(CO)(C)Nc1nc(nc2nc(OC)sc12)SCc3c(c(F)ccc3)F	5802
+C(O)C(CO)(Nc1c2SC(=O)Nc2nc(SCc3c(c(F)ccc3)F)n1)C	5803
+C(O)C(CO)(C)Nc1nc(nc2c1sc(n2)Cl)SCc3c(c(F)ccc3)F	5804
+C1(=O)COCC(c2cc(Br)cnc2Cl)(CO)N1	467
+O1CC(COC1(C(=O)OCC)C)CCC=C	5805
+c1cc(ccc1C)S(=O)(=O)OCC(CO)CCOc2ccc(cc2)Br	36
+C(O)C(CO)Cc1ccc(cc1)-c2ccc(cc2)O	16
+C(O)C(CO)Nc1nc(-c2cc(NC(C)=O)ccc2)c3c(N(C(C=C3)=O)c4ccc(cc4F)F)n1	198
+C(OC1COCC1Oc2c(OC)ccc(C(=O)O)c2)C	5806
+CC(C)=CCCC(=CCCC(=CCCCOCC(CO)O)C)C	1117
+c1(c(cc2c(nccc2)c1)[N+]([O-])=O)OC	5807
+CC(C)CCCC(CCCC(C)=CCCCOCC(CO)O)C	1117
+c1cc(ccc1C(=O)Nc2ccc(cc2)Cl)C3OCC(CO3)SC(C(Cn4cncn4)(c5c(F)cc(F)cc5)O)C	5808
+c12ccccc1-c3c(cccc3)C2COC(=O)NC(CO)(C(O)=O)C	5809
+CN(C)C(CCCC#Cc1cc(C(=O)NC(CO)C)ccc1)=O	10
+C1CCN1C(=O)c2cc(F)c(Oc3cc(cc(c3)OC(C)CO)C(=O)Nc4nn(C)cc4)cc2	46
+c1(cc(Oc2c(cc(cc2)C(=O)OCC)F)cc(OC(C)CO)c1)C(=O)Nc3ccn(C)n3	46
+C1N(CC1)C(c2cnc(Oc3cc(cc(C(OC)=O)c3)OC(CO)C)c(Cl)c2)=O	136
+O=S(=O)(C)OCC(C)(c1c(F)cnc(Br)c1)O	7
+C1(NC(C)(COC1)c2cc(ccc2)Br)=O	467
+O=S(=O)(C)OCC1C(C2(C(COC(C)=O)CC(CC2)OC(C)=O)C)CCC3(C)C(C(OC(C)=O)CC13)=C	7
+CC(C)(C)[Si](C)(C)OCC1CC(CC1CC)=O	19
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(O2)c(ccc3)Br)C	36
+c1cc(ccc1S(=O)(=O)OCC2Cc3cc(cc(c3O2)F)Br)C	36
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(=O)OCCC)n2)c1	204
+c1(c[n+]([O-])ccc1OCCC)C	857
+c1ccccc1C(N)CC(OCCC)=O	27
+c1cc(ccc1-c2cnc(C)c(C(OCCC)=O)c2)Cl	342
+c1cc(ccc1-c2scc(CSc3nc(c(c(c3C#N)-c4ccccc4)C#N)OCCC)n2)Cl	91
+c1cc(ccc1OC(C(=O)OCCC)C)N(c2nc(Cl)c3cc(ccc3c2)Cl)C	5810
+C(COC(c1cncc(N)c1)=N)C	5811
+CC(C)(C)[Si](C)(C)OCCC(CC(=O)OC)C	19
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCOCC4CCO	85
+O=S(=O)(OCCC1n2cc(I)cc2C(=O)NC1)C	7
+CC(C)(C)C1OCCC(O)C1	5812
+O=S(=O)(C)OC1CC(c2cc(Br)nn2C)OCC1	5813
+c1(CN2N=C(OCCC=C)C=CC2=O)cc(ccc1)C(=O)OC	5814
+c1cc(ccc1C2OCCC(O)C2)Cl	5815
+c1(O)c(Cl)ccc(OCCCBr)c1C(=O)OC	5816
+C1CN(CCC1c2c3c(cc(F)cc3)[nH]n2)CCCO	28
+C1CC1c2c(cc3nn(c(C(=O)NC)c3c2)-c4ccc(cc4)Br)N(S(=O)(=O)C)CCCO	1233
+C1CN(CCN1C)CCCO	28
+C1CN(CCN1CCCO)C(C)=O	28
+CC(C)(C)C(=O)OCN1C=Nc2cc(c(cc2C1=O)OC)OCCCBr	126
+CC(C)(C)OC(=O)N1CC(COCc2ccc(cc2)OC)N(c3ccc(cc3)OCCCO)CC1	8
+CC(C)(C)OC(=O)NC(Cc1cccc(OCCCO)c1)C2OC(=O)N(Cc3cc(ccc3)C(C)C)C2	8
+CC(C)(C)OC(NC(CCSCCCO)C(OC(C)(C)C)=O)=O	965
+CC(C)(C)c1cc(ccc1)OCCCO	8
+CCCCCCCCCCCCSCCCO	965
+Cc1c(-c2sc(c(C#N)c2-c3cccnc3)SC)cc(cc1)Nc4cccc(OCCCO)c4	8
+N(c1c(C)cccc1Cl)CCCO	601
+O=Cc1c(OCCCO)cc(c(-c2cccs2)c1)OC	8
+O=S(=O)(N)c1cc(C(=O)OCCCO)c(NCc2ccco2)cc1Cl	1908
+O=S1(=O)N(c2ccccc2N1CCCBr)c3ccccc3C	1909
+O=S1(=O)N(c2ccccc2N1c3ccc(cc3C)F)CCCBr	1909
+c1(c(Cl)nc(CCCC)[nH]1)C(OCCCBr)=O	1910
+Fc1ccccc1COCCCBr	149
+c1cc(Br)nc([N+]([O-])=O)c1OCCCBr	1286
+n1(nc(c(c1Br)[N+](=O)[O-])Br)CCCO	338
+c1(cc(cc(C)c1OCCCO)C=O)C	8
+C(Oc1cccc(c1)CC(OC)=O)CCBr	20
+c1c(nc(cc1)C(=NOCCCO)C)C	1071
+c1ccccc1C(c2ccccc2)CN(Cc3c(Cl)c(C(F)(F)F)ccc3)CCCO	28
+O=S(=O)(C)N(c1cc2oc(-c3ccc(cc3)F)c(c2cc1Br)C(=O)NC)CCCO	1233
+c1cc(ccc1OCCCO)-c2cn3cc(ccc3n2)Br	8
+c1cc(ccc1CC(OC)C(OCC)=O)OCCCBr	20
+c1cc(ccc1Cc2c(NCCCCC)nc(N)nc2C)OCCCO	8
+c1ccccc1C2(CCN(CC2)CCCO)c3ccccc3	28
+c1cc(ccc1)C(CCCO)c2c(C)c(c(c(C)c2OC)C)OC	5817
+c1cc(ccn1)SCCCO	636
+C1CC(CCC1N2c3c(c(nc(n3)N)C)C=C(C(OCCCC)=O)C2=O)O	5818
+C1CC1CN2C(=O)c3ccc(cc3C(OCCCC)=C2C(OCC)=O)Br	5819
+C1CCCC(n2cnc3c2nc(nc3N)OCCCC)O1	482
+C(Oc1cc[n+]([O-])c(c1C)C)CCC	857
+N#Cc1cnc2c(cc(OCCCC)c(c2)OCCOC)c1Cl	126
+O(CC1OC1)CCCC	649
+O=Cc1cc(O)c(OCCCC)c(Cl)c1	20
+c1cc(ccc1Cl)-c2oc(-c3cscc3)c(CC(OCCCC)=O)n2	27
+C1CC1c2cc(c(OCCCC(=O)C)nc2Cl)C(=O)N	91
+FC(F)(F)c1ccc(cc1)-c2csc(CCCO)n2	963
+n1cc(cnc1-c2ccc(cc2)C=CCCCO)OCC	858
+c1cc(ccc1Cl)-n2nc3cc(c(cc3c2C(=O)NC)C4CC4)N(S(=O)(=O)C)CCCC=C	1909
+C(O)CCCCCc1cc2c(cccc2)nc1	3475
+CCCCCCCNCCCCCO	15
+C(O)CCCCCSc1nc2ccccc2[nH]1	2465
+c1cc(ccc1N(CC)CCCCCCO)Br	936
+C(CCCC)CCOC1CCC(=O)N1	1515
+C1CCC(C1)C2N(c3ccc(C#N)c(Cl)c3)N=C4C2CCc5cc(C(OCCCCCCC)=O)ccc45	47
+FC(F)(F)c1cc(C(=O)O)ccc1OCCCCCCC	57
+Fc1cccc(F)c1C(Nc2ccn(Cc3ccc(cc3Cl)OCCCCCCCO)n2)=O	8
+c1ccccc1OCCCCCCCO	8
+C1CC(CCN1C(CCc2nccn2CC(=O)OCCCCCCCC)=O)N(C)C	456
+C(CCOc1ccsc1)CCCCC	5820
+O1CCOC12C(C(C#N)CC2)CCCCCCCO	381
+c1c(COCCCCCCCCO)cc(F)c(c1)F	149
+c1c(c(C#N)c(cc1)[N+](=O)[O-])OCCCCCCCCO	1118
+C(O)CCCCCN=[N+]=[N-]	558
+C(O)CCCCCOc1ccc2cc(ccc2c1)C(=O)O	72
+c1ccccc1N(C)CCCCCCO	5821
+c1cc(ccc1C=O)OCCCCCCO	5822
+c1cc(ccc1OCCCCCCO)C=CC(=O)O	72
+CC(C)(C)OC(=O)NCCCCCCO	37
+[N-]=[N+]=NCCCCCC=O	24
+c1cc(ccc1C)S(=O)(=O)OCCCCCCN=[N+]=[N-]	36
+c1cc(ccc1C(OCCCCCCOC(=O)C(C)=C)=O)OC(=O)C=Cc2ccc(cc2)OC	47
+C(OC(C=C)=O)CCCCCOc1cc2c(cc(cc2)C(O)=O)cc1	2466
+c1cnccc1OCCCCCCSc2[nH]c3c(cccc3)n2	2467
+C(CCCCl)CCc1cc2c(cccc2)nc1	221
+c1cc(ccc1Cl)-c2c(OCCCCCO)ncc(c2)C(=O)NC3CCCCC3O	89
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCCO	53
+c1(c(cc(OC)c(COCCCCl)c1)F)F	555
+c1c(c(Nc2cc([N+]([O-])=O)c(cc2)C(=O)c3c(C)ccc(OCCCO)c3)ccc1F)F	72
+c1cc(ccc1)C=2c3ccccc3C(N(CCCO)C=2)=O	5823
+c1cc(ccc1OCCCO)C(c2c[nH]c3c2cccc3)=O	72
+c1cc(ccc1O)SCCCO	1107
+c1cc(ccc1SCCCO)NC(=O)C	1107
+c1cc(ccc1-c2c(C)c(C(=O)OCC)nn2-c3ccc(Cl)cc3Cl)OCCCF	20
+c1cc(ccc1[N+]([O-])=O)OCCCI	20
+CC(C)(C)c1ccc(cc1)NC(=O)NCCCO	282
+C[Si](C)(C)OCCCN	19
+Cc1nc(Cl)c(c(NCCCO)c1C)[N+]([O-])=O	105
+Clc1c(Cl)cc(c([N+](=O)[O-])c1)NCCCO	205
+c1(C)c(NCCCO)nc(Cl)nc1	40
+C(O)CCNc1c(F)cnc(Cl)n1	40
+FC(F)(F)CCS(=O)(=O)CCCNCCCO	284
+FC(F)(F)c1cccc(Nc2nc(NCCCO)nc3n(CC)cnc23)c1	96
+FC(F)(F)c1ccc(cc1)C(NCCCO)=O	93
+OCCCNCCC#N	1287
+O=S(=O)(NC(C)CNCCCO)c1ccccc1[N+]([O-])=O	285
+N(CCCO)c1c([N+]([O-])=O)cccc1Cl	205
+c1c([n+](ccc1)[O-])NCCCO	1911
+c1ccccc1-n2c3ncnc(NCCCO)c3nc2-c4ccccc4	516
+c1cc(ccc1)CC(C)(N(C)C)C(c2ccc(cc2)NCCCO)=O	60
+c1ccccc1COC(NCCCO)=O	101
+c1cc(ccc1)COc2c(OC)cc(cc2)Cc3nc4c(ccc(NCCCO)c4)c5nc(nn35)N	5824
+c1cc(ccc1C#N)NCCCO	60
+c1cc(ccc1COC(NCCCO)=O)[N+]([O-])=O	101
+c1cc(ccc1-c2nc3CN(C)Cc3c(N4CCOCC4C)n2)NC(=O)NCCCO	238
+O=S(=O)(Nc1ccc(NCCCO)c([N+]([O-])=O)c1)c2ccc(cc2)NC(C)=O	60
+c1ccccc1COc2ccc(cc2)-c3n(CCCO)c(C)cc3	3476
+C(O)CCNc1nccc(Cl)n1	96
+C(CCN(C)c1c(cnc(Cl)n1)F)Oc2cc3c(n(CC(OC)=O)cc3)cc2	20
+c1cc(ccc1C)S(=O)(=O)OCCCN=[N+]=[N-]	36
+CC(C)(C)OC(=O)N(CC)CCCO	23
+CC(C)(C)[Si](C)(C)OCCCNc1nc(Cl)ncc1F	19
+n1c(NCCCOc2cc3c(cc2)n(cc3)C(C(OC)=O)C)c(cnc1Cl)F	126
+n1c(nc(cc1)Oc2ccc([N+]([O-])=O)cc2F)NCCCO	185
+c1cc(ccc1Oc2ccnc(NCCCO)n2)[N+]([O-])=O	185
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2nc(nc(OCCCO)c2Oc3ccccc3OC)N4CCOCC4	145
+CC(C)OCOCCCO	433
+C[Si](C)(C)CCOCn1c(cc2c1cc(c(-c3ccc(cc3)-c4ccccc4)n2)Cl)OCCCO	5825
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)OCCCO	5826
+C1OC(CCC1)OCCCO	219
+O=S(=O)(c1cccc2cnccc12)Oc3cc(C)cc(OCCCO)c3	126
+O=S(=O)(c1c(OC)cccc1)Oc2cc(C)cc(OCCCO)c2	126
+O=S(=O)(c1cc(Cl)ccc1OC)Oc2cc(cc(C)c2)OCCCO	126
+O=S(=O)(Nc1cc(O)c(cc1)C(OCCCO)=O)c2cc(c(Cl)s2)-c3cccc(OC)c3F	1533
+C1OC2(OCC1)C(Nc3c2cc(cc3)S(=O)(=O)N4CCCC4COC)=O	5827
+O=S(=O)(Oc1cc(C)cc(c1)OCCCO)c2cccc3nsnc23	126
+O=S(=O)(c1c([N+]([O-])=O)cccc1)Oc2cc(C)cc(c2)OCCCO	126
+C1OC(OCC1)c2ccc3c(c(Cl)n[nH]3)c2	5828
+c1c2c(c(ncn2)O)ccc1OCCCO	724
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCO	604
+n1cc(C#N)ccc1OCCCO	91
+C(OC)CCOc1cc[n+]([O-])c(c1C)C	857
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4cc(ccc4Cl)OCCCSCCCO	1105
+c1cc2c(c(SCCCO)c(C#N)cn2)cc1I	1275
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCCO	5829
+CC(C)(C)[Si](C)(C)OCCCc1ncsc1	19
+C(CF)Oc1ccc(cc1Cl)F	20
+n1cc(cnc1OCCF)C#Cc2ccc(cc2)C(C)C(=O)NCC	482
+c1ccccc1COC(N(CCO)C2CCC(CC2)N(C)C)=O	5830
+c1cc(ccc1)N(C(C)C)CCO	2457
+c1c(cc(C)cc1)C#Cc2nc(C)n(C3=CC(=O)N(CCO)C=C3)c2	3477
+c1cc(ccc1OCCN(c2sccn2)C)C=O	57
+O=S(=O)(C)OCCN1CC(C(N=[N+]=[N-])CC1)O	7
+FC(F)Oc1c(Cl)c(-c2c(Cl)cc(Cl)c(C(=O)OCCN3C(=O)CCC3)c2)nn1C	279
+N1(CCCC1=O)CCOc2cnc3c(n2)ccnc3Cl	1534
+C(CO)N(C)CCOC	28
+C1(CCc2c(ccc([N+]([O-])=O)c2)N1CCCN(CCO)C)=O	53
+C1COCCC1Nc2c3c(n(nc3)CC)nc(c2CNC(=O)c4ccc(cc4)CCCCCCCCN(CCO)C)CC	28
+CC(C)(C)OC(=O)N1CCC(c2cc(nc(N(CCO)C)c2)Cl)=CC1	43
+CC(C)(C)[Si](C)(C)OCCNC	19
+CC(C)(C)c1ccc(cc1)C=2N(C)N(c3ccc(cc3)C#N)C(=O)C=2C(=O)N(C)CCO	3478
+CC(C)(C)c1nnc(NC(=O)N(C)CCO)s1	1110
+c1(Cl)ccccc1CNC(=O)N(C)CCO	384
+C1CC1C(=O)c2cnc3c(c2NC4CCC(CC4)CN(C)CCO)cc(cc3)Br	123
+C(O)CN(C)c1n(C)ncc1[N+](=O)[O-]	959
+c1c(cc(c(c1)N(C)CCO)[N+]([O-])=O)Br	34
+c1cc(ccc1)CN(Cc2ccccc2)c3ccc(CN(CCO)C)nc3	315
+c1cc(ccc1CN(C)CCO)C(OC)=O	131
+c1cc(ccc1NC(c2cc(Br)c(nc2)N(C)CCO)=O)OC(F)(F)Cl	43
+c1ccc2nc(N(C)CCO)sc2c1	1912
+c1cc(ccc1)C(=O)N(CCO)C	3479
+c1ccccc1C(c2ccccc2)(CN)CN(C)CCO	5831
+c1ccccc1C2Oc3c(CC2)c(cc4nc(C)n(CCOC)c34)C(N(C)CCO)=O	30
+c1ccccc1COc2cc(cc3nc(n(CCOC)c23)C)C(N(CCO)C)=O	30
+c1ccccc1N2N(C(=C(C(Nc3ncc(Oc4ccnc(NC(=O)N(C)CCO)c4)cc3)=O)C2=O)C)C	437
+c1nc(ncc1)N(C)CCO	117
+C(COC(=O)OCCl)NC(C)=O	405
+c1ccccc1COC(=O)NC(Cc2c[nH]cn2)C(=O)N3C(CCC3)C(NCCO)=O	5832
+CC(C)CC1N(C(C)(C)OC1)C(=O)c2cnc(OCCNC(CC)=O)c(-c3ccc(cc3)Cl)c2	91
+c1cc(ccc1)-c2csc3nc(nc(NCc4ncccc4)c23)N5CCCC(C(NCCO)=O)C5	117
+C1CN(CCC1NC(=O)c2cnc(-c3cc(F)ccc3)cc2)c4ccc(C(=O)N(CCO)CC)cn4	211
+CC(C)(N(CC)CCO)C#C	5833
+FC(F)(F)c1ccc(cc1)S(=O)(=O)NC2CCC(CC2)CCCCCN(CC)CCO	28
+c1cc(ccc1[N+]([O-])=O)OCCNCC	57
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4ccc(cc34)-c5ccc(cc5CN(CC)CCO)F)N	48
+C(O)Cn1ncc(C(OCC)=O)c1N	3480
+CC(C)(C)c1cc(n(CCO)n1)N	5834
+n1cc2c(n1CCO)CCCC2=O	3481
+C(O)Cn1ncc(C#N)c1N	5835
+O=S(=O)(c1ccc(cc1)Cl)N2C3Cc4c(cnn4CCO)C2CCC3	5836
+CC(C)(C)C#Cc1cc(Cl)ncc1NCCO	1243
+C(COCCNc1n[n+]([O-])c2ccccc2n1)N=[N+]=[N-]	600
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(=O)CCCSCCO	1105
+CC(C)(C)OC(=O)N1CCc2cc(SCCO)ccc12	607
+CC(C)(C)OC(N1CCC(CC1)Nc2c(ccc(c2)[N+]([O-])=O)SCCO)=O	972
+Cc1nc(SCCO)ccc1[N+]([O-])=O	3482
+c1(OC)cc(cc([N+]([O-])=O)c1)SCCO	607
+c1c(OC)ccc2ncc(SCCO)nc12	3483
+c1c2c(ccc1OC)ncc(SCCO)c2	3445
+c1ccccc1-c2c(SCCO)c3c(ccc(c3)F)nc2CC	1275
+C1CN(C2=CC(OCCc3cc(c(Oc4cc(F)c(Cl)cc4)cc3)F)=NC(N2C1)=O)C	2468
+c1cc([N+](=O)[O-])c2ccccc2c1OCCc3c(cncc3)N	20
+C(O)Cc1ccncc1N	13
+c1(c(ccs1)CCO)Br	407
+c12ccn(CCOC(=O)C)c1cccc2	152
+O=S(=O)(C)OCCn1c2ccccc2cc1	7
+Nc1c(C#N)cnn1CCCl	1883
+C(O)Cn1ncc(C(=O)O)c1N	6
+Clc1[nH]c(-c2cccnc2)nc1CO	844
+C1OC(CCC1)OCc2c(Br)cccc2Cl	219
+O=Cc1cc(c(cc1Cl)OC)Br	39
+C1OC(CCC1)OCc2c(Cl)cc(c([N+]([O-])=O)c2)C	219
+O=Cc1cc(ccc1Cl)CCNC(C)=O	39
+CC(C)(C)OC(=O)N1CC(N(C(OCc2c(c(ccc2F)Br)F)=O)CC1)CC	2469
+ClCc1c(F)ccc(I)c1C	109
+C1CN(CCN1c2ccc(cc2CO)[N+]([O-])=O)C	34
+Cc1c(C(=O)OCC)c2n(c(cc(C)c2)OCc3c(F)cccc3Cl)n1	3484
+Clc1cnc(c(c1CCl)Cl)N	5837
+c1(CO)c(sc(c1C)C)Br	407
+O=Cc1c(ccc(C)c1C)[N+]([O-])=O	39
+C(OCc1c(ccc(CBr)c1)Br)OC	433
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1[N+]([O-])=O)OC	19
+c1ccccc1COc2c(cc(cc2)[N+](=O)[O-])CO	22
+CC(C)(C)[Si](C)(C)OCc1c(OC)cccc1Br	19
+CC(C)(C)[Si](C)(C)OCc1c(nnc(C(=O)OC)c1)OC	19
+CC1(C)C(C(OCc2c3c(ccc2)-c4c(cccc4)CCC3)=O)C1C=C(F)F	204
+O=Cc1ccc(Cl)c2c1n3CCCN(c4ccc(cc4C)C(=O)N)c3n2	200
+CC(C)(C)OC(=O)n1c(cc2c(cccc12)OCc3c4c(oc3)cc(F)cc4)C(OCC)=O	5838
+c12ccccc1nccc2CCl	109
+c1(F)cc([N+]([O-])=O)cc(CO)c1NC	60
+FC(F)(F)c1cc(OCc2cc(ccc2O)F)c(cc1)C(Nc3ccnc(c3)O)=O	57
+COc1c(cc2c(c1)ncnc2Nc3cccc(Cl)c3F)CCl	109
+c1c2c(ccc1F)cc(CCl)c(Cl)n2	5839
+O=Cc1c2nc(oc2c(cc1)Br)C	200
+CC(C)(C)OC(=O)N(C)Cc1ccc(c(c1)F)CO	23
+O=Cc1ccc(N)cc1Cl	39
+CC(C)(C)OC(=O)NCC(=O)Nc1ccc(c(Cl)c1)CO	33
+c1cc(ccc1)OC(=O)Nc2cc(F)c(cc2)CO	90
+c1ccccc1COc2cc(Cl)c(CO)cc2	22
+C(O)c1ccc(N)cc1F	0
+O=Cc1c2c(nn(C)c2)c(F)cc1	39
+O=S(=O)(OCc1ccc(C(OC)=O)cc1C)C	7
+c1cc(CCl)c(C)cc1F	109
+c1ccccc1COc2cc(c(cc2)CO)C	22
+C(O)c1ccc(CNC)cc1F	370
+NC1=C(NCCCOc2cc(CCl)ccc2)C(=O)C1=O	109
+c1(ccccc1Cl)Cn2cc(-c3nccc(c3)C=O)nc2	39
+COc1cc2c(ccnc2cc1)CCl	438
+OB(O)c1ccc(cc1C2CCCC2)OCc3ccccc3	1913
+C(C)OB(OCC)c1c(OC)cc2CCCc2c1	5840
+OB(O)c1cc2c(CCC2)cc1OC	1913
+c1ccccc1COc2c(cc(B(O)O)c(OC)c2)CC	1913
+CC(C)c1c(B(O)O)ccc(c1)OCc2ccccc2	1913
+C1CN(CCC1)C(=NC#N)CC#N	5841
+C(OCC)(Cc1cc(C)c(-c2cc(ncc2)C)nc1)=O	5842
+CC(C)(C)c1ccc2c(c(C(=O)OCC)cnc2c1)O	975
+CC(C)COc1ccccc1-c2ncc(c(O)n2)C(OCC)=O	5843
+O=C(OCC)C(C(=O)OCC)=CN1C(C)(C)Cc2c1cccc2	5844
+O=C(OCC)C(C(=O)OCC)=CNc1ccnn1CC	2470
+CCOC(=O)C=1C(N(NC=1)c2ccccc2OC)=O	5845
+C1(N2C=C(c3ccc([N+]([O-])=O)cc3C2=NC=C1C(=O)OCC)C)=O	5846
+C(C)OC(=O)C(C(OCC)=O)=CNc1c(C)cc(cc1)OC	1535
+C(C)OC(=O)C(C(OCC)=O)=CNc1cccc(Br)c1	1535
+C(C)OC(c1c(O)c2ccc(cc2nc1)F)=O	975
+c12c(c(cnc1cc(c(OC)c2)F)C(=O)OCC)O	975
+O=C(OCC)C(C(=O)OCC)=CNc1cc(C)nn1-c2ncccc2	2470
+C(C)OC(=O)C(C(=O)OCC)=CNc1ncnc2c1cccc2	2470
+C(OCC)(=O)C(C(OCC)=O)=CNc1ccccc1I	1535
+c1c(c(c(Cl)cc1)Cl)Cc2ccc3c(c2)c(c(cn3)C(=O)OCC)O	975
+c12cc(ccc1ncc(c2O)C(=O)OCC)C(=O)c3c(c(OC)c4ccccn34)C	975
+c1cc2c(c(c(cn2)C(=O)OCC)O)cc1I	975
+C1COCCN1c2ccc(cc2)NC=C(C(OCC)=O)C(OCC)=O	1535
+C(C)OC(=O)C(C(OCC)=O)=CNc1ccc(cc1)OC	1535
+c12cc(OC)ccc1ncc(c2O)C(=O)OCC	975
+c1ccccc1-c2nc(O)c(C(OCC)=O)cn2	5847
+C(OCC)(=O)C(C(OCC)=O)=CNc1cnc(NCc2ccccc2)cc1	5848
+c1ccccc1Oc2cc3c(c(C(OCC)=O)cnc3cc2)O	975
+c1c(CN2C(C(=C(c3cccn23)O)C(OCC)=O)=O)cc4c(cccc4)c1	3485
+C1(C(C(OCC)=O)=C(O)c2cccn2N1Cc3c(F)cccc3)=O	3485
+C(OC(=O)C(C(OCC)=O)c1c(cc(C)c(N)c1)Cl)C	2471
+c1(C)c(N)cc(c(Cl)c1)CC(OCC)=O	976
+C(C(OC(=O)C(C)=C)C)C1OC1	553
+c1(c(cc2n(C3C(O)C(C(C3)COC(=O)C)O)c(nc2c1)Br)Cl)Cl	59
+c1ccccc1COC(=O)Nc2ccc3CC(C(OCC)=O)C(Nc3c2)=O	90
+C(C)(=O)NC1CC(C(=O)O)C(CC)C1	3
+CC(C)(C)OC(=O)N1C(Cc2c(ccc([N+](=O)[O-])c2)C1)C(=O)OCC	663
+C(C)OP(OCC)(=O)CCCN(C(=O)CC(=O)OCC)c1cc(Cc2ccc(cc2)F)cnc1C(=O)OCC	5849
+c1cc(ccc1Cc2cc(NC(CC(OCC)=O)=O)c(nc2)C(=O)OCC)F	5850
+c1cc(ccc1C(=O)c2ccc(cc2)NC(=O)CC(OCC)=O)Cl	3486
+c1(Oc2cccnn2)cc(C)c3c(B(OC3CC(=O)O)O)c1	3
+CN(C)c1nccc(n1)Oc2cc3c(C(OB3O)CC(OCC)=O)c(C)c2	117
+C(OC(=O)CC1OB(c2c1c(C)cc(Oc3cccnn3)c2)O)C	1288
+C(OC(=O)CC1OB(c2c1c(Cl)cc(OC)c2)O)C	65
+C(C1OB(c2cc(cc(C)c12)O)O)C(=O)O	3
+C(OC(=O)CC1OB(c2c1c(C)cc(Oc3nnc(cc3)Cl)c2)O)C	1119
+C(OC(=O)CC1OB(c2c1c(C)cc(Oc3ccnc(n3)Cl)c2)O)C	185
+CC(C)Oc1cc(cc2B(OC(CC(OCC)=O)c12)O)Oc3nccnc3	313
+C(COCCCl)C(=O)O	3
+C(OC(=O)CCOCCCl)C	221
+CC(C)(C)OC(N(CCCc1nc(ccc1)Br)CC(=O)OCC)=O	663
+c1(cccc2N(CCCc12)C(=O)CCCOc3cc(c(Cl)cc3Cl)Cl)-c4cnn(c4)CC(OCC)=O	20
+CC(C)c1c(O)nnc(Sc2c(Cl)cc(cc2Cl)NN=C(C#N)C(=O)NC(OCC)=O)c1	3487
+C(C(=NNc1c2c(OC(C2)C)c(Cl)cc1)C(=O)NC(OCC)=O)#N	3487
+C(OC(Nc1nc2n(n1)c(Br)cc(C)c2)=O)C	977
+C(OC(Nc1nc2n(cc(Oc3cc(C)cc(NC(c4cc(nn4C)C)=O)c3)cc2)n1)=O)C	977
+C1CCN2C(C(=C(c3ccncn3)N=C2C(N)C1)Br)=O	3488
+C(OC(=O)NC1C2=NC(c3ccncn3)=C(C(N2CCCC1)=O)Br)C	3489
+c1-2c(c(ccc1NC(n3ncnc-23)=O)Br)F	5851
+O=S(=O)(C)Nc1ccc(F)c(NC(OCC)=O)c1	80
+C(OC(=O)Nc1c(F)ccc(N)c1)C	0
+CC(C)(C)c1ccc(cc1)NCc2ccc(NC(=O)OCC)c([N+](=O)[O-])c2	608
+c1c2c(ccc1O)c(NC(OCC)=O)cs2	5
+C(OC(=O)Nc1ccc2C(C)=NCCc2c1)C	1120
+O=S(=O)(C)OCCc1cc(ccc1)NC(OCC)=O	7
+c1cc(ccc1C=2C=CC(N(Cc3cc(NC(OCC)=O)ccc3)N=2)=O)C#N	5852
+C1N(CCC1COC(=O)Nc2ccccc2Br)C	113
+C(OC(=O)OCCC(O)C)C	100
+c1cc(ccc1)C(OC(C)CCOC(OCC)=O)=O	279
+C(C)OC(c1c2c(c(ncn2)O)[nH]c1C)=O	5853
+c1cc(ccc1-c2noc(COC(=O)C)n2)CN(C3C(NCCCC3)=O)S(=O)(=O)c4ccc(cc4)Cl	1289
+c1cc(ccc1C2(CC3CC2CC3)c4ccc(cc4)-c5nc(on5)COC(=O)C)OCc6ncccc6	859
+C(OC(C)=O)C(N1C(c2ccc(C)c(N)c2C=C1)=O)C	0
+C1CCCC(CC1)(O)CC(Nc2c(C)ccc3c2C=CN(C(C)COC(C)=O)C3=O)=O	33
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c3c(C(N(C(C)COC(C)=O)C=C3)=O)ccc2C	33
+FC(F)Oc1c(cc(F)c(c1)N2NC3=C(CCCC3)C2=O)Cl	5854
+n1c(nc2c(CCCC2)c1O)C	3490
+c1(nc(c2c(CCCC2)n1)O)N	3491
+c1cc(ccc1)C2=CCN(CCCc3nc4CCCCc4c(O)n3)CC2	3492
+s1c(C2C(C(=O)O)C2)ccc1CCCC	3
+CC(C)(C)OC(N1C2C(CC(C1C(OCC)=O)C2)O)=O	663
+c1n(c2ncccc2n1)-c3ccc4C(C(OCC)=O)CC(=O)c4c3	3493
+C(N(OC)C)(=O)C1CC1C#N	978
+c1ccccc1C(c2ccccc2)N3CCN(CC3)C(C4CC4C(OCC)=O)=O	10
+c12nn(C)cc1c(ccc2)C3C(CO)C3	44
+C(C1CCC(=CC1)CCCCC)(=O)O	3
+c1ccccc1COC(=O)N2C(C(=O)N)CC(C(OCC)=O)CC2	1827
+C(C1Cc2c3cc(OC)ccc3[nH]c2C1)(=O)NCCC	271
+COc1cc2c3c([nH]c2cc1)CC(C(=O)NC)C3	271
+CC(C)(C)OC(=O)NC(C(=O)N1C(CC)CCC1C(=O)OCC)CC(C)C	478
+C1(CCC(c2cc(F)cnc2)N1)CO	44
+CC(C)(C)OC(=O)N1CC(C(=O)OCC)NCC1	23
+COc1cccc2n(CCF)c3c(C(C(=O)O)CCC3)c12	3
+C1CC(CCC1)Oc2c3c(nc(C)c(C(=O)OCC)c3N)ccc2	979
+C1CC(CCC1Oc2cccc3nc(C)c(C(=O)OCC)c(N)c23)CNC(COC)=O	979
+C1CC(CCN1C(=O)CC)COc2cccc3nc(C)c(C(=O)OCC)c(c23)N	979
+C1CC(CCN1C(C(C)C)=O)Oc2cccc3c2c(N)c(C(=O)OCC)c(C)n3	979
+O=C1CC(C)=NN1c2ccc3CCCc3c2	5855
+CC(C)(COc1cccc2nc(C)c(c(N)c12)C(OCC)=O)C(NCc3cccc(OC)c3)=O	979
+CC(C)(C)CCc1c2c(c(C(=O)OCC)c(nc2ccc1)C)N	979
+CC(C)(C)OC(=O)N1CCCN(c2nc3c(C=C(C(C)=O)C(=O)O3)cc2)CC1	5856
+CC(C)c1c(C(=O)OCC)c([nH]c1)C	5857
+CC(C)C(=O)NC1C(CCCC1)Oc2cccc3c2c(c(C(=O)OCC)c(C)n3)N	979
+Cc1nc2c(c(N)c1C(=O)OCC)c(cs2)-c3cc(ccc3)OC	3494
+Cc1cc(cc(C)c1-c2c(C)nn3c2N=C(C)CC3=O)Cl	1085
+Clc1ccc(c(Cl)c1)C2NC(c3ncccc3F)=NC(C)=C2C(=O)OCC	5858
+Clc1cccc(CCC(=O)CC(OCC)=O)c1	5859
+Clc1cccc(-c2noc(C)c2C(=O)OCC)c1	3495
+FC(F)(F)COc1nn2c(c1)N=C(CC2=O)C	1085
+FC(F)(F)c1cc2c(cc1OC)c(c([nH]2)C(=O)OCC)C	5860
+FC(F)(F)c1cccc(NC(=O)CC(=O)C)c1	3496
+FC(F)(F)c1cccc(c1)NC(=CC(=O)OCC)C	3497
+FC(F)(F)c1cc(N2C(=O)NC(c3ccc(cc3)C#N)C(C(OCC)=O)=C2C)ccc1	3498
+N#Cc1ccnc(c1)N2N=C(CC2=O)C	2472
+c1(cc(O)nc(C)n1)C	3305
+C(C)OC(C1=C(C)N=C(NC1c2ccc(cc2Cl)F)c3nccnc3)=O	5861
+c1(c2c(ccc(c2nc(c1)C)F)F)O	2473
+n12c(cc(C)n1)NC(C)=CC2=O	5862
+C1=CSC2=NC(C)=CC(N12)=O	5863
+C1=C(N=C2N(N=C(S2)SCCCCCC)C1=O)C	5864
+c1(ccc(cc1Br)F)C2NC(c3sc(OC)cn3)=NC(C)=C2C(=O)OCC	5865
+O=S(=O)(Nc1c(ccc(C)c1Cl)Cl)c2nc3n(C(=O)CC(C)=N3)n2	3499
+Cc1nc2scc(C)c2c(N)c1C(=O)OCC	3494
+Clc1cccc(Cl)c1NS(=O)(=O)c2nc3N=C(C)CC(n3n2)=O	3499
+c1(C)[nH]c2ccccc2c1C(=O)OCC	5866
+c1ccccc1C=2c3ccccc3C(=O)N(C=2C=CC(CC(=O)CC(=O)OCC)O)C	1536
+c1cc(ccc1)NC(=O)CC(=O)C	3496
+c1cc(ccc1Cl)-c2c3n(C(=O)CC(=N3)C)nc2-c4c(cccc4)Cl	1085
+c1(nc2ccc(cc2c(c1)O)Br)C	2473
+c1cc(ccc1C(c2ccc(cc2)F)=C(C=CC(O)CC(=O)CC(OCC)=O)c3n(nnn3)C)F	1536
+c1cc(ccc1Cl)C(=O)CC(C(=O)OCC)C(C)=O	3500
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(n3nnnc3)C=CC(CC(=O)CC(OCC)=O)O	1536
+c1cc2nc(C)cc(c2cc1I)O	2473
+c1cc(ccc1CC(C(OCC)=O)C(=O)C)[N+]([O-])=O	1251
+c1cc(ccn1)C(NC2CCC(CC2)COc3cccc4nc(C)c(C(=O)OCC)c(c34)N)=O	979
+c1(C)c(cccc1)NC=C(C(OCC)=O)C(CCC)=O	5867
+C1(=C(CCC)Nc2c(C1c3cccc(C)c3Cl)c[nH]n2)C(=O)OCC	3501
+C1(=C(CCC)Nc2c(C1c3cccc(c3Cl)C#N)c[nH]n2)C(=O)OCC	3501
+C1C(CC1CC#N)C(CC(OCC)=O)=O	3502
+C1COCCC1Nc2c3c(nc(CC)c2CNC(CC(=O)OCC)=O)n(CC)nc3	5868
+C1CC1C(CC(OCC)=O)=O	1914
+C1CCCC1C(CC(OCC)=O)=O	3502
+CC(C)(C)OC(N1CCC(CC1)C(=O)CC(OCC)=O)=O	1914
+CC(C)(C)OC(=O)NC(C(CC(OCC)=O)=O)C	1914
+CC(C)(CCC)CC(CC(OCC)=O)=O	1914
+CC1(C)NC=2N(C(=O)CC(=O)N=2)CC1	5869
+FC(F)(F)COc1cc(C(=O)CC(OCC)=O)ccc1Cl	980
+c1(F)cccc(F)c1C(=O)CC(OCC)=O	980
+C(C(c1cc(F)c(cc1F)C=2CCN(C(C)=O)CC=2)=O)C(OCC)=O	980
+c1(cc(c(c(C)c1F)Br)F)C(CC(OCC)=O)=O	980
+C(OC(CC(c1c(c(c(c(c1)C)F)[N+]([O-])=O)Cl)=O)=O)C	980
+C(OC(CC(c1ccc(Br)c(C)c1F)=O)=O)C	980
+c1c(F)c(cc(C(=O)CC(OCC)=O)c1)OCC	980
+c1c(cc(c(c1)C(CC(OCC)=O)=O)C)Br	5870
+c1ccccc1-c2ccc(cc2)NC(=O)CC(=O)OCC	3503
+c1cc(ccc1NC(=O)C)C(=O)CC(OCC)=O	980
+FC(F)(F)c1ccc(cc1)-c2nc(c(C)s2)CC(OCC)=O	5871
+c1cc(ccc1-c2nc(c(o2)C)CC(OCC)=O)F	3320
+C(C(C)(CCO)O)CCCCC	44
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(N4C=CC(=O)NC4=O)CC(=O)OCC	604
+N(C(CCC)CC(OCC)=O)c1cc(C)ccc1[N+]([O-])=O	60
+c1c(OC)ccc2c(c(C(CC(=O)O)CCCC)sc12)C	3
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(=O)CC(c3cc(-n4cnnn4)ccc3)=O)=O	3504
+c1(C(NC(C)=O)CC(OCC)=O)cccc(F)c1	68
+c1ccccc1C(CC)C(NC(CC(OCC)=O)c2cc(ccc2)[N+](=O)[O-])=O	68
+c1cc(ccc1)C(NC(c2cc([N+]([O-])=O)ccc2)CC(=O)OCC)=O	93
+c1(c2NC(=CC(=O)n2nc1N)c3cc(F)ccc3)-c4ncccc4	1915
+c1ccc2c(sc(n2)N3NC(c4cccc(I)c4)=CC3=O)c1	1916
+C1CC(CCC1c2c3c(ncc2)ccc(F)c3)CC(=O)OCC	191
+C1C(CC(=O)O)CC(C)CC1	3
+CCOC(OCC)COc1cc2c(C(CC(=O)OCC)CC2)cc1	8
+C(OC(CC1c2c(cc(cc2)OCCc3nc(Cl)ccc3)CC1)=O)C	126
+FC(F)(F)c1c(nc(NCCCOc2ccc3c(CCC3CC(OCC)=O)c2)cc1)Cl	126
+C(OC(CC1c2c(cc(cc2)OCCCNc3nc(Cl)ncc3C)CC1)=O)C	20
+c1cc(ccc1)-c2oc(c(C)n2)CCOc3ccc4c(CCC4CC(OCC)=O)c3	20
+C(OC(CC1c2c(CC1)cc(cc2)O)=O)C	5
+CCOC(CC1CCc2cc(OCCCOc3ccc(-c4nc(co4)CC)cc3OC)ccc12)=O	8
+CCOC(CC1CCc2cc(OCCCOc3ccc(cc3OC)C#N)ccc12)=O	8
+C(OC(CC1c2c(cc(cc2)OCCCN(CCC)c3c(C)cnc(Cl)n3)CC1)=O)C	3505
+c1cc(c(C)nc1C)OCCOc2cc3CCC(CC(=O)OCC)c3cc2	981
+c1cc(ccc1OC)CNc2cccc(C#CCCC(=O)OCCCC)n2	769
+C1COC(O1)(CCC(OCC)=O)C	381
+CC(C)(CC)NN=C(CCC(OCCCC)=O)C	3506
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cc(-c3c(cccc3NC(CCC(OCC)=O)=O)C)ccc2)c(SC)s1	26
+C(C(c1c(ccc(C)c1)OC)=O)CC(OCC)=O	94
+C(CC(=O)O)C(c1cccc2OCOc12)CCCCC	3
+O(CC)C(=O)C(C=O)CC1=CC(=O)N(CCCC)C=C1	5872
+CC(C)(C)[Si](C)(C)OC(C=CC1CCC2C1CC(C(O)(C)CCCC(=O)OCC)C2=O)C3CCCCC3	5873
+C(C(OCC)=O)(CCC)C(=O)C(=O)OCC	5874
+O(C(CCCCN(C1c2ccc(nc2CCC1)C#N)CCc3ccccc3OC)=O)CC	28
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(OCC)=O	28
+CC(C)(C)OC(NCc1ccc(F)cc1OCCCCC(OCC)=O)=O	8
+CC(C)(C)OC(NCc1c(c2c(ccc(OCCCCC(OCC)=O)c2)nc1CC(C)C)-c3ccc(cc3)C)=O	8
+c1cc(ccc1OCCCCC(=O)OCC)-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2	8
+CC(C)c1n(CCCCC(OCC)=O)c2ccccc2n1	656
+O(C(CCCCOc1c(c(OC)c(cc1)OC)C=O)=O)CC	8
+c1c(Cl)c(c(cc1)Cl)S(=O)(=O)N(C)CCCCC(OCC)=O	831
+O(C(CCCCN1c2ccccc2CCC1)=O)CC	936
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCC(=O)OCC	5875
+C(CC)CC(CCCC)C(=O)OCC	1917
+c1cc(ccc1C)-c2nc3c(nc2-c4ccc(cc4)C)CCCN3CCCCCC(OCC)=O	1821
+CC1(C)c2cc(ccc2N=C1C)OCCCCCC(=O)OCC	8
+c1ccccc1C(c2ccccc2)NCCCCCC(=O)OCC	132
+c1cc(ccc1-c2nc3N(CCCCCCC(=O)OCC)CCCc3nc2-c4ccc(cc4)C)C	1821
+c1cc(ccc1-c2c(-c3ccccc3)nc4c(CCCN4CCCCCCC(OCC)=O)n2)C	1821
+O=S(=O)(OCCCCCC(=O)OCC)C	7
+O(C(=O)CCCN(Cc1ccc2ccoc2c1)C(C3(C)CCN3C(=O)Cc4c5c(cccc5)sc4)=O)CC	10
+c1cc(cc(C#N)c1OCC2CO2)CCCC(OCC)=O	3507
+C(OC(CCCc1ccc(O)c(C#N)c1)=O)C	180
+c1nnnn1CCCC(=O)O	3
+N(C)C(CCc1c(Br)cccc1Cl)=O	271
+CC(C)(C)Cc1nc(COc2cc(cc(c2)OC)CCC(=O)OCC)ccc1-c3cc(ccc3F)OC	412
+O=S(=O)(OCC(c1cc(CCC(OCC)=O)cc(c1F)F)O)c2ccc(cc2)C	36
+CC(C)(CC1Cc2c(C1)cccc2)NCC(c3c(F)c(F)cc(c3)CCC(OCC)=O)O	1918
+C(OC(CCc1cc(c(Nc2ccc([N+]([O-])=O)cn2)cc1)OC)=O)C	201
+c1(c(cc(CCC(OCC)=O)cc1)OC)N(C)c2ncc([N+]([O-])=O)cc2	1121
+FC(F)(F)S(=O)(=O)Oc1cc(cc(c1F)F)CCC(OCC)=O	166
+c1c(cccc1CCCO)O	44
+O(CC)C(=O)C(Cc1cc(ccc1)OC)C=O	2474
+C(OC(CCc1cc2c([nH]1)c(cc(C#N)c2)F)=O)C	180
+c1(c(C)c(c(c(C)c1-c2cc(CNc3cc(c(cc3)CCC(OCC)=O)F)ccc2)C)OCCOCC)C	208
+Cc1cc(cc(C)c1-c2cc(CNc3cc(c(cc3)CCC(OCC)=O)F)ccc2)OCCOCC	208
+c1ccccc1Oc2ccc(cc2)COc3ccc(cc3F)CCC(=O)OCC	657
+FC(F)(F)c1cnc(Oc2cc(OCCOC)ccc2CCC(=O)OCC)c(Cl)c1	136
+c1cc(ccc1C(O)CCC)COc2ccc(c(F)c2)CCC(=O)OCC	657
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(CCC(=O)OCC)ccc(c2)OCOC	136
+O(CC)C(=O)C(Cc1ccc(nc1)OC)C=O	2474
+C(OC(CCc1ccc(Br)n1-c2ccc(C#N)cc2C)=O)C	653
+c1c2c3CN(C)CCc3n(CCC(=O)O)c2ccc1C	3
+c1cc(CCN(C)CC(=O)O)c(cc1F)[N+]([O-])=O	3
+CN(CC(=O)O)c1n[nH]c2ccc([N+]([O-])=O)cc12	3
+FC(F)(F)c1cnc(-n2nc(c(c2)CCCOc3c(cnn3CC(OCC)=O)CC)C(C)C)cc1	5876
+N(C)C(CN1C(=O)C=C(C=C1)n2cc(nc2C)C#Cc3cccc(C)c3)=O	271
+c1ccccc1CC(N=C2NC=CN(CC(OCC)=O)C2=O)CN=[N+]=[N-]	5877
+C1CC(C)N(CCO)CC1	44
+C1CC(CCC1)N2C(N(C3CCCC3)C(C(C(NCC(=O)OCC)=O)C2=O)=O)=O	1537
+CC(C)(C)N1C(=O)C(C(=O)N(Cc2c(cccc2)Br)C1=O)C(NCC(=O)OCC)=O	1537
+CC(C)(C)c1ccc(cc1)CN2C(C(C(N(C3CCCCC3)C2=O)=O)C(=O)NCC(=O)OCC)=O	1537
+CC(C)(C)c1c(cccc1)N2CCN(CC2)C(NCC(OCC)=O)=O	3508
+CC(C)CN1C(=O)C(C(=O)N(CC(C)C)C1=O)C(NCC(=O)OCC)=O	1537
+CC(C)N1C(=O)C(C(=O)N(C(C)C)C1=O)C(NCC(=O)OCC)=O	1537
+C1C(N(CC1)CC(=O)NCC(=O)NC)=O	271
+N1C(=O)CNc2c1cccc2F	1290
+COc1c(cc(I)c(Cl)c1)NCC(=O)O	3
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(NCC(OCC)=O)c2[N+](=O)[O-])=O	54
+C(O)c1cc(Cl)c(OCC(=O)O)cc1OC	3
+c1ccccc1-n2ccc(CN3CCN(c4c(OCC(=O)OCC)c(cc5cccnc45)C)CCC3)n2	315
+C1c2c(CN1CC(CNC(COc3c4c(ccc3)OCCN4C)=O)O)cccc2	271
+c1cc(OCC(=O)O)cc2N(CCc12)c3c4CSCc4nc(Cl)n3	3
+C(OC(COc1cc2N(CCc2cc1)c3c4CSCc4nc(Cl)n3)=O)C	860
+c1ccc(I)cc1OCC(=O)O	3
+c1c(cc(C(Nc2cccc(OCC(OCC)=O)c2)=O)c(F)c1)Br	67
+c1ccc(NC(C)=O)cc1OCC(=O)O	3
+c1cc(ccc1)C(c2ccccc2)C=3C=CC(=O)N(CCCc4cc(ccc4)OCC(OCC)=O)C=3	5878
+O=S(=O)(C)OCCCc1cccc(OCC(OCC)=O)c1	7
+C(OC(COc1c2N(CCOc2ccc1)C)=O)C	15
+O=S(=O)(Nc1ccc2n(CC(OCC)=O)c(cc2c1)C)C	80
+C(OC(Cn1c(cc2cc(N)ccc12)C)=O)C	0
+C1CCCCC1S(=O)(=O)c2ccccc2Cc3c(n(CC(OCC)=O)c4ccc(cc34)F)C	1919
+FC(F)(F)Oc1ccc(cc1)-c2nn(c(c2)CCOc3ccc4c(n(CC(=O)OCC)cc4)c3)C	1520
+FC(F)(F)Oc1ccc(cc1)-c2nn(c(c2)CCCOc3ccc4c(c3)n(CC(=O)OCC)cc4)C	1520
+FC(F)(F)Oc1cccc(C#CCCCOc2ccc3ccn(CC(=O)OCC)c3c2)c1	126
+FC(F)(F)c1ccc(cc1)-c2nn(c(COc3ccc4ccn(CC(=O)OCC)c4c3)c2C)C	1538
+FC(F)(F)c1ccc(cc1)-c2cc(n(n2)C)CCOc3cc4c(cc3)ccn4CC(=O)OCC	126
+FC(F)(F)c1ccc(cc1)-c2cc(n(C)n2)COc3cc4n(CC(=O)OCC)ccc4cc3	1538
+FC(F)(F)c1ccc(cc1)C#CCCCOc2cc3c(cc2)ccn3CC(=O)OCC	126
+C(Cn1c2c(cccc2C#N)cc1)(=O)O	3
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2c3n(CC(OCC)=O)ccc3ccc2	1920
+C(OC(N(CCCC)CCCl)=O)C	723
+C1CN(CCC1)Cc2cc(OCC=CCNC(CS(=O)CCNC(=O)OCC)=O)ccc2	1475
+C(OC(=O)Nc1c2ccc(cc2sc1)OC)C	1539
+C(OC(Nc1c(C(=O)O)sc2cc(OC)ccc12)=O)C	1
+C1CN(CCN1c2ccc(cc2)OC)C(Nc3c(nc4c(cc(C)cc4)n3)OC)=O	2475
+C1CN(CCN1C(Nc2c(nc3c(ccc(F)c3)n2)OC)=O)c4cc(ccc4)C	2475
+C1CN(CCN1c2ccccc2OC)C(=O)Nc3nc4ccc(cc4nc3OC)F	2475
+n1c(N)nn2cc(Oc3cc(C)cc(NC(c4cc(nn4C)C)=O)c3)ccc12	982
+n1c(nn2c(Br)cc(C)cc12)N	982
+C(C=O)#CCCCCCl	5879
+CCOC(OCC)c1nc2c(n1C)nccc2	5880
+CC(C)(C)OC(NC(c1sccn1)Cc2ccccc2)=O	3509
+C(C)OC(OCC)COc1cc(Cl)c(c(Cl)c1)OCc2ccccc2Cl	8
+c1(c2n(ccc1)ccn2)C(=O)O	3510
+n12cc(cc(C)c1ncc2)Br	3510
+CCOC(OCC)COc1c(cc(Cl)c(-c2nc(N)nc3c2cc(C(NCC)=O)s3)c1)Cl	8
+C(C)OC(OCC)COC(COCc1ccccc1)CC=C	176
+c1cc(ccc1[N+]([O-])=O)C(c2sccn2)c3ccc(cc3)Cl	3509
+CCOC(OCC)COc1ccc(cc1)C	8
+c1cc(ccc1Cl)OCC(OCC)OCC	8
+c1cc(ccc1O)-c2ccc(cc2)OCC(OCC)OCC	8
+O(CC)C(OCC)CSc1ccccc1C	636
+CCOC(OCC)COc1ccc(cc1)Oc2ccccc2	8
+n1cc(n2c(ncc2)c1Br)Br	5881
+Clc1cc(cc(Cl)c1OCCCCOCC(OCC)OCC)OCC=C(Cl)Cl	20
+c1cc(ccc1)C(Oc2cc(CC)c(c(c2)CC)OCCCCOCC(OCC)OCC)=O	20
+OP(O)CC(CN)c1ccc(cc1)OC	5882
+c1(C)cc(nc(SCCCCCC)n1)C=O	1921
+c1cc(ccc1C2C(c3c4c(c(O)nn3)cccc4N2)c5ccc(cc5)F)C(OCC)OCC	5883
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)C(OCC)OCC	23
+CCC(c1c(c2c(c(ccc2)OC)nc1)O)=O	5884
+O=C(O)C(C(C)O)CCCC=C	4
+c1cc(ccc1-c2ccc(cc2)COC)C(N(C)C(C(OC)=O)C(NC)=O)=O	5885
+CCC(CC)C(=O)Nc1cc2c(N=CN3C(=O)C(C(OC)=O)=CN=C23)cc1	5886
+c1cc(ccc1)[Si](c2ccccc2)(OCCC3(C(C(=O)OC)(C(=O)OC)C3)c4cc(Cl)c(Cl)cc4)C(C)(C)C	5887
+c1c(CC(OC)=O)c([N+]([O-])=O)c(F)cc1	1540
+O=S(=O)(C)OCCC1(C(=O)N2CC=CC(C(OC)=O)N2C1=O)C	7
+COC1CC(C(OC)=O)COC1	1541
+C1c2c(cc(c(OC)c2)F)CCC1C(=O)O	4
+C1CC1C(=O)Nc2nccc(c2)Oc3c(F)cc4c(CC(C(OC)=O)CC4)c3	3511
+FC(F)(F)S(=O)(=O)Oc1ccc2c(c1)CC(CC2)C(OC)=O	166
+C1CC(CCC1)CC2C(OC)=CC(O2)=O	5888
+FC(F)(F)c1cccc(c1C)Cc2c3n(nc2N)C(=O)CC(=O)N3	5889
+C(c1cc2c(nc1O)cc(nc2)Cl)(=O)OC	5890
+c12nc(O)c(cc1cc(OC)c(OC)c2)C(OC)=O	3512
+COC(=O)C(C(OC)=O)c1c(cc(-c2cc(OCC)ccc2)cc1)[N+]([O-])=O	1266
+O(C(=O)C(C(OC)=O)c1ccc([N+](=O)[O-])cc1F)C	1266
+COC(=O)C(C(=O)OC)c1nc(nc(c1SC)OC)OC	5891
+c1cc(ccc1OCCOc2cc3CCCCc3cc2)C=C(C(OC)=O)C(OC)=O	5892
+c1ccccc1COc2c(cc3nc(c(C(OC)=O)cc3c2)O)OC	3512
+O=S(=O)(C)OCC1C(C1)(NC(=O)OC)c2cc(ccc2)[N+]([O-])=O	7
+C(c1ccc(cc1Cl)NC(OC)=O)Br	29
+CC(C)Nc1c(sc(c1)-c2ccccc2)C(OC)=O	5893
+c1c(cc2c(c(cnc2c1)C(=O)OCC)NCC(C)OC)Br	105
+c1cc(ccc1-c2c(C)c3c(N(C)C(=O)N(CCC(OC)=O)C3=O)s2)Cl	268
+C(CC(=O)O)c1cccc(F)c1	4
+Nc1ncc(CCC(=O)OC)nc1Br	439
+CC(C)(C)OC(=O)Nc1cn2c(ncc2cc1)C(=O)c3cc(c([N+](=O)[O-])cc3)C(OC)=O	1291
+C(OC)(c1ccccc1-c2ccc(CNc3nccc(c3[N+](=O)[O-])C)nc2)=O	70
+C(OC)(c1ccccc1-c2ccc(CN)nc2)=O	18
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)COc3cc4OC5=CC(C=CC5=C(c6c(cccc6)C(OC)=O)c4cc3)=O	22
+O=C(O)c1cn2c(c(ncn2)C3c4c(NC3=O)cccc4)c1C	1
+N(C(c1nc(c(nc1N)N)Cl)=O)CCN	2476
+Nc1ncc(Br)nc1C(=O)OC	439
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)Nc2c(nccn2)C(=O)OC)Cl	3513
+c1c(c(ccc1Br)F)C(Nc2c(C(OC)=O)nccn2)=O	1542
+c1cc(ccc1C(=O)Nc2c(C(=O)OC)nccn2)Cl	1542
+c12c(ccc(OC)c1CC=O)cccc2	1292
+COCC(COC)(NC(=O)c1sc(cc1)Cl)C(Nc2ccc3CCN(CCc3c2)C)=O	33
+C(OC)C(COC)(NC(=O)c1ccc(Cl)s1)CO	1256
+C(OC)C(COC)(C(=O)O)NC(=O)c1sc(Cl)cc1	5894
+C(O)C(Oc1cc(C(Nc2ccn(C)n2)=O)cc(O)c1)C	88
+C1N(CC1)C(=O)c2cnc(cc2)Oc3cc(C(Nc4nn(C)cc4)=O)cc(OC(C)COC)c3	136
+CN(C)S(=O)(=O)c1ccc(Oc2cc(cc(C(=O)Nc3nn(C)cc3)c2)OC(C)COC)c(c1)Cl	46
+c1(cc(Oc2sc3C(NCCCc3n2)=O)cc(OC(COC)C)c1)C(=O)Nc4ccn(C)n4	5895
+c1cc(ccc1Oc2cc(cc(c2)OC(C)COC)C(=O)Nc3nn(C)cc3)C#N	46
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(OC(C)COC)cc(C(=O)Nc4cnc(cn4)C)c3	706
+O=S1(=O)CCCOc2c1ccc(Oc3cc(cc(OC(C)COC)c3)C(=O)Nc4cnc(cn4)C)c2	46
+C(O)C(Oc1cc(cc(O)c1)C(=O)OC)C	88
+c1(O)nnc(c2ccc(OC)cc12)COC	1922
+O=S(=O)(c1ccc2c(C(C(N2)=O)=O)c1)N3CCCC3COC	92
+c1(C)cc(C#N)cnc1N2CCCC2COC	361
+C(OC)C1N(c2cccc([N+]([O-])=O)c2)CCC1	79
+CC(C)(C)OC(=O)NC1CCCCC1CN2CC(COC)CCC2	61
+c1cc(Nc2nc(-c3cccc(C(=O)OC)c3)nc4scnc24)cc(N5CCCC5COC)c1	261
+C(OC)C1N(c2cc(ccc2)Nc3nc(nc4c3ncs4)Cl)CCC1	5896
+C(OC)C1N(c2cccc(N)c2)CCC1	0
+c1(C)cc(N)c2c(CC(COC)O2)c1Br	38
+C(OC)C1Oc2c(N)cc(C)cc2C1	0
+C1C2CC3CC(CC1C3(CCOC)C(OC)=O)C2	1232
+C1CC(CCN1Cc2ccccc2)(CCOC)C(=O)OCC	1232
+C1CC1COc2c(C#N)cc(-c3ccnc(c3)Nc4cn(CCOC)nc4)cc2	338
+C1CCCC(n2c3ccc(cc3c(C=O)n2)OCCOC)O1	8
+C1CCCC1(CCOC)C(=O)OC	1232
+c1cc2CCCN(c2cc1CO)CCOC	936
+C1N(CC1Oc2ncc(cc2)-c3cccc(OCCOC)c3)C(Nc4cnccc4)=O	8
+c1(ccc(NC(C)=O)cc1-c2ccnn2C)OCCOC	8
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3ncnc(OC4CCN(CC4)CCOC)c3	28
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cc(-c3ccc(cc3)OCCOC)cc(c2C)C(OC)=O)CCC	8
+CC(C)(C)c1cc(C(=O)OC)cc(OCCOC)c1	8
+n1c(C)cc(C(OCC)=O)n1CCOC	338
+C[Si](C)(C)CCOCn1cc(-c2ccc(cc2)Br)nc1C3N(CC(C3)OCCOC)C(=O)OC(C)(C)C	176
+FC(F)(F)C(=O)c1cn(c2c1c(ccc2)Cl)CCOC	339
+FC(F)(F)c1cc(I)cc(OCCOC)c1	8
+c1(C(=O)OC)cc(Cl)c(N)cc1OCCOC	8
+O=Cc1cc(Br)c(OCCOC)c(c1)OC	8
+O=S(=O)(c1ccc(C(OC)=O)c(c1OCCOC)C)C	8
+c1(OCCOC)cccc(C(=O)OC)c1OC	8
+Clc1cnc(c(c1)OCCOC)[N+]([O-])=O	458
+O(C)CCOc1cccc([N+]([O-])=O)c1	8
+c1cc(c(c(F)c1OCCOC)C#N)I	8
+c1(nc2ccc(OCCOC)cc2[n+]([O-])n1)N	8
+c12n(CCOC)ccc1c(C)ccc2F	339
+c1c(OCCOC)c(cc(C#N)c1)OC	8
+O(C)CCOc1cccc(CO)c1	8
+c1cc(cc(Br)c1OC)OCCOC	8
+c1c(OCCOC)c(cc(c1)C(=O)OC)OC	8
+c1cc(N2C(CCC2)c3cc(cc(F)c3)OCCOC)nc4c(cnn14)C(=O)OCC	8
+c1cc(ccc1-c2c(C#N)c3c(n2CC)cc(cc3)OC)OCCOC	8
+CC(C)c1ccc(cc1)-c2nc3c(c(ccc3Br)OC)n2CCOC	656
+c1cc(ccc1C#N)-c2nnn(Cc3cc(C(Nc4sc5CC(CCc5n4)NCCOC)=O)ccc3)c2	132
+c1cc(ccc1C=O)OCCOC	8
+c1cc(N)c(cc1)SCCOC	636
+c1c(OCOC)ccc(n1)OCCOC	1923
+O(CCN1Cc2n(CC1)nc([N+]([O-])=O)c2)C	28
+C(OC)CC(N=C=S)C	5897
+C1C(CO1)(C)c2nc(-c3c(F)cc(cc3)F)c(-c4ccc5nc(oc5n4)NC(CCOC)C)[nH]2	3514
+c1cc(C)cc(c1OCCCOC)OC	8
+C(OC)CCOc1c(c(F)cc(c1)Br)F	8
+c1(C=O)cc(OCCCOC)c(cc1)OC	8
+C(OC)CCOc1ccc(c(CCO)c1)Br	8
+c1cc(cc(OCCCOC)c1OC)C(=O)OC	8
+C1CCN(C(=O)CCCO)c2cccc(Br)c12	88
+c1cc(ccc1C#CCCCCCOC)C2CC(CC2)(N)C(=O)OC	197
+CC(C)(C)OC(N1CC(CCC1)C(c2cccc(c2)Cl)(CCCCOC)O)=O	5898
+O(C)CCCCNc1cccc(Cl)c1-c2cccc(c2)CC	250
+[n+]1([O-])c(C)cc(cc1)OCCCCOC	857
+CC(C)(C)OC(=O)N1CCCC(C1)C(CCCCOC)(O)c2ccccc2Oc3ccccc3	5899
+c1(cc(ccc1)CCCCOC)C=O	146
+c1cc(C)cc(OCCCOC)c1OCC	72
+C(OC)CCOc1cc(Br)cnc1O	788
+C(OC)CCNC(c1cnc(-n2ncc(c2OC)-c3cc(C)c(cc3)C#N)cc1)=O	1122
+c1c(C2C=NN(C2=O)c3ccc(cn3)C(NCCCOC)=O)cc(C)c(c1)C#N	2477
+C(OC)CCNC(c1cnc(-n2ncc(Br)c2OC)cc1)=O	3515
+C(OC)CCNC(c1cnc(-n2ncc(c2OC)C(=O)O)cc1)=O	6
+C(OC)CCNC(c1cnc(-n2ncc(c2OC)C(=O)OCC)cc1)=O	3516
+C(OC)CCOc1c(OC)cc(C)c(c1)C(=O)O	789
+CC(C)C(Cc1cc(F)c(F)c(c1)OCCCOC)=O	3517
+O(C)CCCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2	602
+C(OC)CCOc1c(c(ncc1)CCl)C	512
+C(OC)CCOc1c(c(ncc1)CO)C	59
+C(OC)CCOc1c(OC)ncc(c1)Br	766
+FC(F)(F)S(=O)(=O)Oc1ccc(CCC(OCC)=O)cc1OCCCOC	376
+C(OC)CCOc1c(OC)cc(C)c(C=O)c1	146
+C(OC)CCOc1cc[n+](c(COC(C)=O)c1C)[O-]	983
+C(OC)CCOc1c(c(ncc1)COC(C)=O)C	174
+CC(C)[Si](C(C)C)(C(C)C)OCCc1cc(OCCCOC)ccc1Br	19
+c1c(c(c(cc1C(=O)OC)CCCO)C)Br	88
+O(C)CCCn1cccc1C=Cc2c(cccc2)Cl	5900
+c12nc(ncc1N(C(CCN2CCOC)=O)C)Nc3c(cc(C(=O)O)cc3)OC	55
+N1(C(=O)CN(c2ccc([N+]([O-])=O)cc2F)CC1)CCOC	3518
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2onc(n2)CN(CCOC)C)=O	3519
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(C)CCOC	468
+CC(C)(C)OC(NC(C(=O)OC)CCN(C)CCOC)=O	183
+CC(C)(C)OC(=O)Nc1c([N+](=O)[O-])cc(c(N(CCOC)C)c1)Cl	202
+c1ccccc1-c2ccc(cn2)-c3n(c(nn3)N(C)CCOC)-c4c(Br)cccc4	3520
+O=S(=O)(C)N(C)c1cc(C(O)=O)cc(N(CCOC)CC2C(C)C2)n1	43
+O(CCOC)c1cc(C(C#N)C(=O)C)ccc1OCCOC	1260
+C(OC)COc1c(OCCOC)cc(cc1)CC#N	177
+FC1(F)C(CC(CNC(=O)c2cc(n3cccc(Cl)c23)CCOC)CC1)C	56
+FC1(F)CCCC(C1)CNC(=O)c2cc(n3cccc(Cl)c23)CCOC	56
+C(OCC)(Cc1cc(ccc1)OCOC)=O	175
+C12CC3CC(C1)CC(C2)(C3)c4cc(cc(c4OCOC)C(c5ccccc5)=O)Br	175
+C1CCC1(OCOC)c2nccs2	433
+C1C(CN1C(CCOCCc2ccc3c(ccs3)c2)=O)OCOC	433
+C1CC(c2c1c(OCOC)ccc2)=O	175
+CC(C)(C)OC(CC(COCOC)NC(OCc1ccccc1)=O)=O	433
+CC(C)(C)OC(=O)N(CCC(=O)OC)C(CC(N(C1CC1)Cc2cccc(c2Cl)Cl)=O)COCOC	433
+CC(C)(C)OC(c1ccc(cc1NC(c2cc(ccc2OCOC)C)=O)-c3ccccc3)=O	175
+CC(C)(C)[Si](C)(C)OC1C=C(C(OCOC)(C)C1)CC=C	3521
+CC(C)(C)[Si](C)(C)Oc1ccc(Br)c(c1)COCOC	433
+CC1(C)c2cc(c(OCOC)cc2C(C)(C)CC1)C(CC)=O	175
+CN(C)c1cc(C=O)ccc1OCOC	175
+C(OCc1nc(OC)ccc1Br)OC	433
+FC(F)(F)C(=O)N1CCc2c(ccc(CCl)c2)CC1	3522
+FC(F)(F)c1c(ccc(S(=O)(=O)N(c2c(ncc(c2)C)Br)COC)c1)Cl	2478
+O=Cc1cc(cc(OC)c1OCOC)Br	175
+c1c(c2c(C)cccc2c(c1)C=O)OCOC	175
+O=Cc1ccc(cc1O)OCOC	175
+O=Cc1ccccc1OCOC	175
+O=S(=O)(c1cc(c(Cl)cc1)C)N(c2c(ncc(c2)Cl)Br)COC	2478
+O=S(=O)(N(COC)c1c(ncc(c1)Cl)Br)c2cc(c(cc2)Cl)CC	2478
+S(c1cc(F)c(cc1C)CCl)C	3522
+c1(c(C)c2SC(CCCO)Oc2c(c1C)C)OCOC	175
+c1(Br)cc(cc(Br)c1)OCOC	175
+c1(C=O)cc(C)c(cc1)OCOC	175
+C(Oc1ccccc1C(C)=O)OC	175
+O(COC)Cc1c(cc(c(c1OC)OC)OC)[N+](=O)[O-]	433
+c1ccc([N+]([O-])=O)cc1OCOC	175
+C1Oc2c(c(F)c(OCOC)cc2CC1)F	175
+c1(c(c(OCOC)ccc1)C)Br	175
+c1c(c(c2c(cc(OC)cc2)c1)Br)OCOC	175
+COc1c(OCOC)c(ccc1O)Br	175
+c1(cc(cc(C)c1Br)OCOC)C	175
+c1cc(cc(c1C(=O)C)O)OCOC	175
+c1c(c2c(OCOC)c(Cl)cc(C=O)c2cc1)CC	175
+c1c2c(c(c(Br)c(C)c2)OCOC)ccc1OC	175
+c1cc(c2c(c(F)ccc2)c1)OCOC	175
+c1cc(ccc1)C(Oc2cc(Cl)c(OCOC)c(C)c2)=O	175
+c1cc(ccc1)COc2ncc(OCOC)cc2	5901
+c1cc(ccc1-c2oc3c(cc(c(N(c4cc(Cl)c(cc4)C(OCOC)C=C)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	3521
+c1cc(ccc1Br)OCOC	175
+c1cc(ccc1-c2ccc(C=O)nc2)COCOC	433
+c1cc(ccc1Cl)-c2c(c3sc(cc3n2COC)C(=O)OC)C4CCCCC4	5902
+c1cc(nc2c([N+](=O)[O-])c(OCOC)ccc12)C	175
+c1c2ccc(OCOC)c(C#N)c2nc(C)c1	175
+c1cc(ccc1)COc2ccc(cc2OCOC)C=O	175
+c1cc(ccc1-c2cc(OCOC)no2)OCc3ccccc3	5903
+CC(C)c1c(c2ccc(cc2n1Cc3ccccc3)OCOC)C(NCc4cc(F)c(cc4)F)=O	175
+O=C(OC)N1CC(C(C1)OCC)Nc2nc(c(nc2CC)I)CC	5904
+C(OCC(N1Cc2ccc(cc2CC1)C(NOC3OCCCC3)=O)=O)COC	10
+CC(C)(C)c1c(OC)c(N2CCN(CC2)C(=O)COC(=O)C)cc(Br)c1	58
+CC(C)(c1cccc(c1)C(Nc2cc(Oc3nc4c(nc(NC(=O)COC(C)=O)s4)cc3)c(CC)cc2)=O)C#N	290
+CC(C)n1c(cnc1C)-c2nc(ncc2)Nc3ccc(cc3)N4CCN(CC4)C(=O)COC(=O)C	58
+FC(F)(F)CCCn1c2c(cc(C#N)cc2)nc1COC(C)=O	849
+FC(F)(F)c1c(C#N)cc(NC(=O)COC(C)=O)cc1	26
+c1c(OC)ccc2nc(NC(COC(C)=O)=O)sc12	290
+c1cc(ccc1F)-n2ncc3cc(c(C)cc23)OC(C(NC(COC(=O)C)=O)C)c4cccc(OC)c4	68
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3CCN(CC3)C(=O)COC(=O)C	58
+C(OCC(N1Cc2ccc(cc2CC1)C(NO)=O)=O)COC	5905
+c1cc(ccc1C)S(=O)(=O)OCC(OCCCCCCCC)COCCCCCCCC	36
+C(CCC)(c1c(c2cccc(C(=O)C)c2nc1)O)=O	3523
+CC(C)(C)OC(=O)N(C)c1ncnc(-n2ncc(C(OCC)=O)c2N)c1	5906
+FC(F)(F)c1cc(F)c(c(Cl)c1)-n2c(c(cn2)C(OCC)=O)N	1924
+CCOC(c1c(N)n(C)nc1)=O	3480
+c1c(ccc(c1F)-n2c(c(cn2)C(=O)OCC)N)F	1924
+c1(CCCC(=O)OC)cc2c(c(C#N)cnc2s1)O	5907
+c1cc(ccc1F)-n2ncc(C(=O)OCC)c2N	1924
+c1cc(ccc1OC)-n2ncc(c2N)C(=O)OCC	1924
+c1(CC(c2c(ccc(OC)c2F)OC)=O)cccc(c1)OC	5908
+C(C)OC(c1c(c2c(c(I)ccc2)nc1)O)=O	1861
+C(=O)(OCC)C(C(=O)OCC)c1nc(sc1)N	5909
+C1(=O)NC(NC(=O)C1CCCCCCCCCC)=O	3524
+C(Cc1ccc(OC)cc1[N+]([O-])=O)(OCC)=O	976
+c1cc(ccc1Cn2nccc2)Oc3ccc(cn3)N4C(C(OCC)=O)(C(OCC)=O)CCC4=O	309
+Oc1nc(c2ccsc2n1)-c3c(cccc3)F	5910
+O=S(=O)(C)OCCN(C)C(=O)OCC	7
+C1CC1c2cc(Br)c(NC(NC(=O)OCC)=S)nc2	1123
+CC(C)(C)OC(Nc1cc(Oc2cnc(cc2)NC(NC(OCC)=O)=S)ccc1C)=O	1123
+C(OC(=O)NC(Nc1cc(C)cc(Br)n1)=S)C	1123
+FC(F)(F)c1cccc(-c2c(c(cn3nc(N=C=S)nc23)Br)C)c1	5911
+CCOC(=O)NC(Nc1c(Br)cccn1)=S	1123
+CCOC(=O)NC(Nc1c(O)cccn1)=S	1123
+C(OC(=O)NC(Nc1ccc(Oc2cc(C)cc(NC(c3cc(nn3C)C)=O)c2)cn1)=S)C	1123
+c1cc(ccc1-c2c(nccc2)NC(NC(=O)OCC)=S)F	1123
+C1(C(CCCC1)NC)O	1925
+C1CN(CCN1c2ccccc2OC)CCN3C(c4c5CN(Cc5sc4N=C3)C(OCC)=O)=O	3435
+C(C)OC(=O)C1=NN(c2c(F)ccc(c2)F)C(C1)=O	5912
+C(c1c(O)c2c(nc1)cc(c(OC)c2)OC)#N	5913
+C(CC1=CC(Oc2cc(ccc12)O)=O)(N)=O	5914
+c12c3c(cccc3)ncc1nc(CCC)n2CCC(OCC)=O	730
+C(OCC)(CCNc1c(cnc2ccccc12)N)=O	13
+FC(F)(F)COc1c(cc(cc1Cl)CC(OCC)=O)Br	3525
+C(c1cc(C)c(-c2cc(ncc2)C)nc1)C(=O)O	3
+C(c1cccc(CC(=O)OCC)c1)Br	29
+C(C(Cc1cc(C)ccc1)=O)C#N	2479
+C(OCC)(Cc1cc(c(C)cc1)O)=O	5
+c1c(OC)c(ccc1CCO)C#N	44
+Cc1cccc(C)c1COc2cc(CC(=O)OCC)ccc2C	139
+O=S(=O)(C)c1cc(c(Oc2c(Cl)ccc(CC(=O)OCC)c2)cc1)Cl	46
+c1(c(OCCC(CCCC)c2sc3cc(ccc3c2C)OC)ccc(CC(=O)OCC)c1)OC	8
+c1cc(ccc1-c2c(c(no2)C)NC(=O)OC(C)c3c(cccc3)Cl)-c4cc(ccc4)CC(=O)OCC	99
+C(OCC)(Cc1cc(ccc1)C#N)=O	1926
+c1cc(cc(CC(=O)OCC)c1)CN	107
+c1(cc(ccc1)CC(OCC)=O)C=O	1543
+FC(F)(F)c1ccc(cc1)COc2cccc(CC(=O)OCC)c2	22
+c1c(C)c(c(cc1)C)COc2cccc(CC(=O)OCC)c2	20
+COc1cccc(OC)c1COc2cc(CC(=O)OCC)ccc2	657
+C(OCC)(=O)C(C(=O)c1c(ccc(OC)c1F)OC)c2cccc(OC)c2	5915
+O(CC)C(C(C)c1cccc(OCOC)c1)=O	643
+c1(ccc(CC(OCC)=O)cc1Cl)N=C=O	861
+C(OCC)(Cc1cc(Br)c(O)c(Cl)c1)=O	662
+c1cc(ccc1C(CC)(CC)c2cc(C)c(C=CC(CC)(CC)O)cc2)-c3ncc(cc3)CC(OCC)=O	362
+C(=O)(Cc1cccc(NC(=O)c2cccc(Br)n2)c1)OCC	187
+c1c(cc(Cl)c(C(Nc2cccc(c2)CC(OCC)=O)=O)c1)Br	67
+c1cc(ccc1N(C)C)-c2ccc(C(=O)Nc3cc(CC(OCC)=O)ccc3)o2	1242
+c1cc(ccc1-c2c(CC(=O)OCC)cc(C(=O)c3occc3)s2)C#N	5916
+c1ccccc1C=2CCN(CCCCN(c3cc([N+]([O-])=O)ccc3C(OC)=O)C(=O)OCC)CC=2	2480
+C(OCC)(N(c1cc(Cl)nc(c1[N+]([O-])=O)N)Cc2ccc(C)nc2)=O	664
+C1CC(CCO1)COc2cc(c(c(N)n2)[N+](=O)[O-])N(C(OCC)=O)Cc3cnc(cc3)C	91
+c1(C)[nH]c(cc1Cl)C(NC2C(CN(C(OCC)=O)CC2)OCC)=O	81
+COc1nc(CC(=O)OCC)c(C(OCC)=O)cc1	766
+c1cc(c(cc1-c2n(c(c(C#N)c2Cl)Cl)COCC)Cl)Cl	2481
+FC(F)(F)c1cccc(OCOCC)c1	175
+c1(nc2c(o1)ccc(c2)C(C)C(=O)N(COCC)c3ccnc4c(cccc34)F)-c5c(Cl)cccc5F	5917
+CC(C)(C)OC(C(C)(C)Oc1cccc(CC(OCC=C)=O)c1)=O	517
+C(OCCOCCSc1cc(OC)cc(c1)[N+]([O-])=O)COC	176
+c1ccccc1CN(Cc2ccccc2)C(COCCOCCOC)C	176
+c1cc(ccc1C(OCC)=O)OCCOCCOC	8
+[N-]=[N+]=NCCOCCOc1ccc(C=O)c(c1)O	310
+c1[nH]c2c(c1CCCO)c(C)c(cc2)[N+]([O-])=O	665
+C(OCCCl)CC(Nc1ccc(cc1C)C(=O)OC)=O	26
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOCCO	53
+c1ccccc1C2(CCN(CC2)CCOCCO)c3ccccc3	53
+CC(C)(C)OC(NCCOCCO)=O	37
+Clc1ccc2c(nccc2NCCOCCO)c1	105
+O=C1C2CCCCC2C(=O)N1CCOCCO	5918
+O=S(=O)(Cc1c(cccc1)[N+]([O-])=O)NCCOCCO	111
+C(O)COCCNc1n[n+]([O-])c2ccccc2n1	1888
+CC1(C)NC(C)(C)N(CCCOCCOCCOC)C1=O	481
+C(COCCN=[N+]=[N-])OCCO	558
+c1cc(ccc1OCCOCCOCCO)-c2ccc3c(c2)ccc(c3)N	72
+COCCOCCOCCOCCOCCO	649
+CCOP(OCC)(=O)CCOCCOCCOC	5919
+C(OCCOCCCl)COC	221
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOC)C	1293
+c1cccc2nc(-c3c(OCCOCCOCCOC)cc([N+](=O)[O-])cc3)sc12	126
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOC)C	36
+c1ccccc1COC(NC(C(=O)N2CC(CC2)OCCOCCOCCOCCOCCOC)c3ccccc3)=O	10
+OP(O)(=O)CCOCCOCCOC	228
+C(OCCOCCS(=O)c1cc(cc(N)c1)OC)COC	0
+C(OCCOCCS(c1cc(cc(OC)c1)[N+]([O-])=O)=O)COC	357
+CC1(C)OB(OC1(C)C)c2ccc(cc2C)OCCOCC	17
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCOCCO	5920
+CC(C)(C)OC(N1CCN(CC1)c2ccccc2OCOCCOC)=O	175
+CC(C)(C)OC(Nc1c2c(ccc(OCOCCOC)c2)ccc1)=O	175
+CC(C)(C)c1ccc(c(Br)c1)OCOCCOC	175
+Clc1ccc(c(C=O)c1)OCOCCOC	175
+FC(F)(F)c1c(OCOCCOC)ccc(Br)c1	175
+O=C1CC(CC(=C1)OCC)c2c(OCOCCOC)cccc2	175
+O=S(=O)(N(COCCOC)c1c(Cl)c(no1)C)c2csc3ncccc23	5921
+C(OCOc1cccc(I)c1)COC	175
+C(OCn1c(Cl)nc2c(Cl)cccc12)COC	1544
+C(OCn1cnc2c1cc(Cl)c(c2)Sc3cc(C)ccc3)COC	1544
+C(OCOc1ccc(cc1Br)C#N)COC	175
+c1c(C)c(c(cc1C=O)C)OCOCCOC	175
+c1cc(ccc1[N+]([O-])=O)OCCOCOCCOC	433
+O(CCOC)Cn1cnc2c(c(Cl)c(cc12)Cl)Cl	1544
+c1cc(ccc1Cl)Nc2c3c(nc(Cl)n2)n(cn3)CCOCC	1545
+CC(C)(C)OC(NC(C)C(N(c1c2cc(OCOCCOC)ccc2ccc1)C)=O)=O	429
+CC(C)(C)OC(NCc1cc(Br)c(OCOCCOC)cc1)=O	37
+C(OCOc1ccc(CN)cc1Br)COC	107
+C[Si](C)(C)C#Cc1cc(ccc1)OCOCCOC	311
+C1CCCC1CN(CC)c2ccc(nc2COCOC)OC	5922
+C(OCc1ccc(CCO)nc1)OC	5923
+c1cc(ccc1OCCc2ncc(cc2)COCOC)[N+]([O-])=O	57
+C(OCc1c(NCC)ccc(OC)n1)OC	3526
+C(COCc1nccs1)O	88
+C(OCn1c(-n2ncc(C(=O)OCC)c2)nc3c(Cl)cccc13)COC	2482
+C(C)OC(c1cnn(-c2[nH]c3cc(c(Cl)cc3n2)Sc4cc(C)ccc4)c1)=O	5924
+C(OCn1c2cc(Cl)c(cc2nc1-n3ncc(C(=O)OCC)c3)Sc4cc(C)ccc4)COC	2482
+O(CCO)Cn1c2ncccc2nc1	59
+C1CC1c2ccc(Nc3c(ccc4cncn34)C(=O)NOCCOC=C)c(F)c2	1546
+C1CN(CCN1c2ccc(cc2)Nc3ncc(cn3)CCc4cc(C(=O)NOCCOC=C)cc(OC)c4)CC	514
+Fc1c(c(Nc2ccc(I)cc2C)c(C(=O)NOCCOC=C)cc1F)F	514
+c1c(I)cc(c(Nc2c3cnsc3ccc2C(NOCCOC=C)=O)c1)F	514
+c1c(cc(c(NC2=CC(=O)N(C)C=C2C(NOCCOC=C)=O)c1)F)Br	3527
+c1c(cc(c(Nc2c(c3c(cc2C(NOCCOC=C)=O)n(cn3)C)Cl)c1)Cl)Br	514
+c1c(cc(c(Nc2c(C(NOCCOC=C)=O)ccc3cncn23)c1)F)Br	1546
+c1ccccc1CCCNc2scc(CON=C(c3cc(SC)ccc3)c4n(nnn4)C)n2	5925
+C1COC(O1)CCCC(C(=O)OCC)=Cc2ccc(-n3cc(nc3)C)c(c2)OC	1096
+O=C(OCC)C(=Cc1cc(c(cc1)-n2cc(nc2)C)OC)CCCCl	1096
+N(=[N+]=[N-])CCP(OCC)(=O)O	228
+c1(C=O)ccc(c(c1)CP(=O)(OCC)O)O	228
+Clc1cc(c(O)cc1)C=Cc2c(cccc2)Br	1265
+Clc1cc(c(O)cc1)C=Cc2c(cccc2)Cl	1265
+C(C)OP(OCC)(=O)c1csc(I)c1	1927
+c1cc(ccc1C(=O)OC)C2N3C(CCC2)CCC(C3=O)=Cc4cc(c(-n5cc(nc5)C)cc4)OC	3528
+c1cc(ccc1)-n2cc(C=Cc3nc(sc3C)N4CCOCC4)c(n2)OCOC	5926
+C(OP(OCC)(Cc1cc(ncc1)C(N)=O)=O)C	862
+O(CC)P(OCC)(Cc1cc(c(cc1F)[N+]([O-])=O)F)=O	5927
+C(Oc1nc(COC(C)=O)ccc1)CCC	5928
+C1CC(CCC1N(CCCOc2c(Cl)cc(c(c2)OC)CO)C)OC(C(c3cccs3)(c4cccs4)O)=O	28
+c1(OC)cc(c(c(OC)c1O)C(=O)c2c(OC)ccc(Cl)c2C)C	5929
+n1(c(c(nc1Sc2c(Cl)cc(cc2)Nc3c(cnc4cc(OCCCCl)c(OC)cc34)C#N)C)C)CC	179
+c1c(N)cc(cc1)Sc2c3c(cc(OC)c(OCCCCl)c3)ncn2	1124
+C(Oc1c(OC)cc2c(c(ncn2)Cl)c1)CCCl	64
+C1CCN(C1)CCCOc2cc3nccc(O)c3cc2OC	53
+COCC#Cc1c2OCOc2c(Nc3ncnc4cc(OCCCCl)c(cc34)OC)c(c1)Cl	73
+O=S(=O)(NCCOc1c(cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)cc1Br)OCC)C	111
+C(Oc1c(OC)cc2c(c(ncn2)O)c1)CCCl	3529
+C1CCN(C1)c2nc(N3CCCC3)nc(N4CCN(CC4)CCCOc5cccc6[nH]c(C(=O)N)cc56)c2	53
+C(Oc1cc(OC)ccc1NC(C)=O)CCBr	26
+c1cc(ccc1Cl)CC2(O)C(C)(C)CN(CC2)CCCOc3c(NC(C)=O)ccc(c3)OC	28
+c1ccccc1N2CCN(CC2)CCCOc3cc(ccc3Cl)[N+]([O-])=O	28
+c1c(OCC)c(c(cc1CN2CCC(CC2)Nc3nc4cc(OCC(O)CO)ccc4o3)OCC)Cl	5930
+c1ccc2c(cc(OCCC)c(N)c2)c1	106
+c1(ccc(C#N)cc1CCC)OCCCOc2ccc3c(c2)ccn3CC(=O)OC	8
+O=C(NCCCOc1cc2ccc(O)nc2cc1)n3cncc3	2483
+[n+]1([O-])ccc(OCCCC)c(C)c1COC(=O)C	983
+C1CN(CCC1)CCCOc2cc(C)c(-c3cn4c(cc(C)cc4)n3)cc2	53
+C(Oc1ccc(-c2cn3ccc(C)cc3n2)c(C)c1)CCCl	440
+C1CN(CCN1CCCOc2ccc(N)c(c2)[N+](=O)[O-])C	28
+c1ccccc1CNC(C)COc2ccc(c(C(N)=O)c2)O	87
+C1CN(CCO1)CCCOc2cc([N+](=O)[O-])c(C)cc2	28
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)C(NCCOc3cc(ccc3)C#N)=O)=O	14
+c1cc(ccc1C(c2cc(OC)c(OC)cc2)=O)C(NCCOc3cc(ccc3)C#N)=O	14
+CC(C)(C)S(N=C(c1c(C#N)nccc1)c2cc(OCCCF)ccc2)=O	5931
+C(Oc1cccc(C(=O)c2cccnc2C#N)c1)CCF	5932
+Cc1cc(ccc1)OCC(C)=NO	350
+c1(cc(ccc1Br)OCCCBr)CC	38
+C1(c2ccccc2C(=O)N1CCCOc3cccc(CO)c3)=O	851
+CC1(C)COc2cccc(OC)c12	5933
+c1c(N)cc(cc1)OCCCBr	0
+C(Oc1cccc(c1)C(=O)OC)CCI	363
+C1CN(CCC1)CCCOc2cc(ccc2)C(OC)=O	183
+c1cc(ccc1)C(c2ccccc2)CNCCCOc3cc(ccc3)CC(=O)OC	132
+O=S(=O)(C)OCCOc1cccc2c1cccc2	7
+C(Oc1cncc(Br)c1)CCNC	284
+C(Oc1nc(CO)ccc1)CCC	59
+c1cc(ccc1)COC(N2CC(CCC2)CCn3c4c(nc3OC)c(nc(OC(CCC)C)n4)N)=O	637
+c1ccccc1COC(N2C(CCCC2)CCCn3c4c(c(nc(OCCCC)n4)N)nc3OC)=O	637
+c1c(C2(c3ccnc(OCCCF)c3)c4cccnc4C(N2)=N)cccc1Br	5934
+C1CCN(C1)CCCOc2noc(C(Nc3cc(c(cc3)F)Cl)=O)c2	28
+S(C)(Cc1cccc([N+]([O-])=O)c1)(=O)=NC(OCC)=O	5935
+C(Sc1ccnc(CO)c1C)CCS	1275
+FC(F)(F)c1cccc(c1)C2SCCCS2	3530
+c1c(F)cc(cc1C2SCCCS2)F	3530
+O=S(=O)(C)c1ccc(C(=O)c2cnn(CC)c2OC(=O)SCC)c(c1OCCOC)C	3531
+O=S(=O)(C)c1ccc(C(=O)c2c(n(C)nc2)OC(=O)SCC)c(c1OCCOC)C	3531
+O=S(=O)(Cc1cccc(NC(C)=O)c1)CC	1547
+FC(F)(F)Oc1ccc(cc1)C=2OC(SN=2)=O	1928
+Cc1cc(C=2OC(SN=2)=O)ccc1	1928
+c1cc(ccc1Cl)C=2OC(SN=2)=O	1928
+c1ccccc1COc2ccc(cc2)C=3OC(SN=3)=O	1928
+C(C(=NO)c1c(F)cnc2ccc(OC)cc12)CC3CCN(CCSc4c(ccc(F)c4)F)CC3CC(=O)OC	189
+C(c1ccccc1SCC)Cl	109
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CSc4ccccc4OC)O	604
+C(Sc1ccccc1OC)C(C=O)OC	24
+Brc1sc(SCCCNC(C)=O)cc1	407
+c1nc2ccc(SCCCSc3ccnc(c3C)CO)nn2c1[N+]([O-])=O	1929
+CC(C)(C)OC(=O)NC1CCN(CC1)CCSc2cnc3c(cc(cc3)OC)c2	61
+CC(C)(C)OC(=O)NC1CCN(CC1)CCSc2nc3cc(ccc3nc2)OC	61
+c1(ccc(cc1C#N)Cc2ccc(c(OC)c2)OC)N	5936
+C(#N)c1[nH]c(C(=O)O)c(Cl)c1Cl	1
+O=S(=O)(N(C)C)c1cc2c(cc1)NC(=O)C2=Cc3c(c4ccccc4[nH]3)C	292
+s1c(nc2-c3cc([N+]([O-])=O)ccc3CCc12)Cc4nc[nH]c4	3532
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nnnc4CCCCC#N	5937
+C(OC(=O)C)c1c(Br)c(C)cc(OC(=O)C)c1	283
+C(c1c(Br)c(C)cc([N+]([O-])=O)c1)C#N	163
+c1(c(Br)c(C)cc([N+]([O-])=O)c1)CC(=O)O	508
+c1cc(ccc1CCCC)C#Cc2c(CCC)c(ccc2)F	455
+c1cc(ccc1C(O)=O)-c2scc(Br)c2CC(=O)OC	268
+C(c1c(C(NC)=O)[nH]c2cc(c(OC)cc12)F)CNC(C)=O	81
+n1cccc(C)c1CN(Cc2ncccc2C)Cc3ccc(cc3C(OC)=O)C#N	131
+Clc1c([N+]([O-])=O)cc2CN(C(c2c1)=O)C	854
+c1(C(=O)OC)cc([N+]([O-])=O)ccc1COC	149
+O(Cc1c(C(=O)OC)ccc([N+]([O-])=O)c1)c2cccc(NC(C)=O)c2	22
+N1(Cc2c(C1=O)ccc([N+]([O-])=O)c2)CC	854
+c1([N+]([O-])=O)ccc2C(=O)N(Cc2c1)C	854
+c1(cc2cccnc2cc1)N3C(c4cc(OC)ccc4C3)=O	1473
+COc1c(c(C)c(C#N)c(Cl)n1)Cl	91
+FC(F)Oc1cc(cc(C)c1CC=C)C	1548
+C1CC(CCC1C(=O)OC)NC(c2cc(cnc2C)Cl)=O	1281
+[N+](=O)(c1c(C(O)=O)c(cc(c1OC)Cl)Cl)[O-]	65
+CCCc1cc(c(N)c(Br)c1Cl)C#N	38
+O(Cc1c(Cl)ccc([N+]([O-])=O)c1)c2cccnc2	483
+O(Cc1c(Cl)ccc([N+]([O-])=O)c1)c2cnc(cc2)F	483
+C(c1c(Cl)nc(nc1Cn2ccnc2-c3cccc(F)n3)C)CC	5938
+[N-]=[N+]=Nc1c(CCC)c(nc(C)n1)Cn2ccnc2-c3cccc(F)n3	3533
+c1ccnc(NCC)c1NC(c2cc(Br)cnc2Cl)=O	1549
+C1CC1Nc2ccccc2NC(=O)c3cccnc3Cl	971
+C(C)OC(c1c[nH]c(C(c2cccnc2Cl)=O)c1)=O	2484
+FC(F)(F)c1cc(nc(Cl)c1NC(=O)c2cccnc2Cl)C	1549
+n1c(Br)c(NC(c2cccnc2Cl)=O)ccc1OC	1549
+n1ccc(C)c(c1OC)NC(c2cccnc2Cl)=O	1549
+c1cc(c(Cl)nc1)C(=O)c2ccc(C(NC)=O)[nH]2	2484
+c1(C(=O)c2ccc[nH]2)cccnc1Cl	2484
+c1cc(ccc1)CN(CCO)C(=O)Cc2cccnc2Cl	10
+Nc1cc(C(=O)OC)c(F)c(c1)N2CCCC2=O	0
+C1OC(CCC1)OCCNC(c2c(F)ccc([N+]([O-])=O)c2)=O	219
+C1(N(Cc2c(F)cccc2)C(C(N=O)=C(N)N1)=O)=O	863
+C(c1c(O)c(cc2CCC(C)(Oc12)CCC(OCC)=O)C(=O)C)CC	27
+CCOC(=O)CCC1(C)Oc2c(cc(C(=O)C)c(c2CCC)OCCCOc3ccc(C(=O)C)c(O)c3CCC)CC1	8
+c1(c(ccc(C(C)=O)c1OCCCOc2ccc(C(=O)C)c(O)c2CCC)OCC(=O)OCC)CCC	8
+CC(C)(CCCCOc1ccc(c(c1CCC)O)C(C)=O)C(=O)OC	8
+C(c1c(ccc(c1O)C(=O)C)OCC(OCC)=O)CC	52
+CC(c1cc(c(c(c1O)CCC)O)Cl)=O	1550
+C(c1c2cc(OCC(OC)=O)ccc2ccc1OCCCOCCCOc3ccc(c(c3CCC)O)C(C)=O)(=O)C	8
+c1cc(ccc1COc2c(c(O)c(cc2)C(C)=O)CCC)C=CC(=O)OC	22
+c1cc(ccc1C(=O)CCCCC(OC)=O)SCCCOc2c(c(c(cc2)C(C)=O)O)CCC	8
+C=CCc1c(O)c(ccc1OCCCOc2cccc(c2CCC)OCC(=O)OCC)C(=O)N	72
+C(c1c(O)c(ccc1O)C(NC)=O)CC	732
+C1(C(=O)OC)CCc2c(c(c(cc2)OCCCOc3ccc(c(c3CCC)O)C(=O)NC)CCC)O1	116
+Clc1c2cc(c(cc2ncc1C#N)OC)OC	120
+O=C1c2ccccc2C(=O)N1Cc3ccc(cc3OC(C)=O)[N+]([O-])=O	1930
+O(C)c1c(cc(C(=O)OC)cc1OC)CCC=CCC	1516
+C(c1cc(c(C(=O)OC)cc1O)F)CC	5
+c1(ccccc1Cl)Oc2cc(c(cc2)OC)C(C(=O)OCC)(C#N)C	3534
+C(c1c(OC)nc(C)cc1)n2c3cccc(NC(=O)c4n5c(cccc5)nc4)c3c(CC)n2	466
+C(n1c2cccc(NC(=O)c3n4c(cccc4)nc3)c2c(CC)n1)c5ccc(nc5O)C	104
+C(c1c(OC)nc(C)cc1)n2c3c(c(CC)n2)c(N)ccc3	0
+c1(c[nH]c2c1cc(cn2)C)Cc3c(nc(cc3)NC(c4cc(cnc4OC)F)=O)F	5939
+CN(C)C(Cc1c(Sc2c[nH]c3ccccc23)cccc1)=O	10
+O=Cc1c(c(CC(=O)O)c(C)[nH]1)C	413
+C(c1c(O)c(ccc1O)C(=O)N)C=C	666
+C(c1c(O)c(ccc1O)C(NC)=O)C=C	513
+C1CN(CCO1)CCNc2c(cccc2F)C(=O)OC	60
+C(CCCC)CCc1c(F)c(ccc1)F	414
+C(CCCCc1sc(C(Oc2c(C#N)c(c(cc2)OCCCCCCCC)C#N)=O)cc1)CCCCCCC	852
+C(=O)(O)c1c(F)c(OC)ccc1OC	6
+c1cc(-c2cc3c(c(C(=O)NCC(=O)OCC)c2O)ncc(n3)-c4sccc4)cc(F)c1F	2485
+c12c(c(Cl)ccc1)ncc(C(Nc3nccs3)=O)c2O	1931
+c1c2c(c([nH]c2ccc1)C#N)Cl	331
+c1(c(cc(Br)c(C)c1Cl)C(=O)OC)O	196
+FC(F)(F)Oc1ccc(cc1)-n2nc(nc2)-c3ccc(cc3)CCCNC(NC(=S)Nc4c(ccc(C)c4)CCC)=O	3390
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2c(OC)cc(c(C(CCCCCl)=O)c2)OC	69
+c1c(ccc2c1nc(OC)c(N)n2)F	5940
+N1(NC(c2c1cc([N+]([O-])=O)cc2)=O)Cc3c(cc(cc3)C(=O)OC)OC	5941
+C(c1ccc(F)cc1C(=O)OCC)Oc2cc(F)ccc2	22
+CC(C)N(C(C)C)C(c1ccc(cc1OC)OC)=O	115
+Nc1cc(C(=O)OC)c(cc1)Br	0
+c1ccc(c(c1)C(c2c(F)cccc2)Oc3ccc([N+]([O-])=O)cc3C(=O)OC)F	5942
+c1c(c(C(=O)OC)cc(c1)C(=O)C)OC	65
+c1cc(ccc1C(O)CCCc2ccccc2)OCCCOc3ccc(C(C)=O)c(c3CCC)O	8
+C(C)Cc1c(c(C(C)=O)ccc1OCCCCCOc2ccc3c(c2CCC)OC(=CC3=O)C(OCC)=O)O	8
+C(c1c(ccc2c1OC(CCC(OCC)=O)CC2)OCCCI)CC	363
+C1CC1Cc2c(OCCCOc3c(CCC)c4c(cc3)CCC(CCC(=O)OCC)O4)ccc(C(NC)=O)c2O	116
+FC(F)(F)S(=O)(=O)Oc1ccc2c(ccc(OC)c2)c1CC=C	166
+c1cc(ccc1)COc2ccc3c(cccn3)c2CC=C	22
+FC(F)(F)c1ccc(OCCCOc2c(cc(cc2C#Cc3c(Cl)cccc3)OCC=C(Cl)Cl)Cl)nc1	129
+c1cc(ccc1C)OC(C(OC)=O)c2ccccc2Cl	2486
+n1c(ccc(c1)-c2cc3c(cc2Br)CCO3)N	5943
+CC(C)(C)[Si](C)(C)OCC(Cc1c(cccc1)OC)O	19
+Oc1c(CC(N)=O)cccc1	5
+C1COCCN1C=2c3ccccc3C(N(N=2)NC(=O)Cc4c(OC)cccc4)=O	2487
+C1(C(c2ccccc2OC)=COc3cc(O)c(Cl)cc13)=O	3535
+FC(F)(F)c1cc(ccc1)S(=O)(=O)CCSc2c(NC(Cc3c(cccc3)OC)=O)cccn2	469
+FC(F)(F)c1ccc(cc1)CCN(C(=O)Cc2ccccc2OC)c3ccc(OC)c(F)c3	429
+C(c1c(cccc1)OC)C(N)=O	3536
+c1ccccc1C2(O)CC(CC#N)CC3CN(C(=O)Cc4c(OC)cccc4)CC23	10
+c1(ccc(O)c(C(=O)O)c1C)Br	38
+C(c1c(cccc1F)O)CC	5
+c1cc(ccc1)COc2c(CC=C)c(ccc2)C(OCC)=O	22
+CN(C)CCON=Cc1cc2ncc(-c3cccc(c3)-c4c(scc4)C#N)n2cc1	135
+C(c1c(ccs1)-c2cc(ccc2)-c3cnc4n3ccc(C=NO)c4)#N	135
+FC(F)(F)S(=O)(=O)OCCn1c(c(c(n1)C)CC(=O)NCc2c(cc(F)cc2)Cl)C	1932
+n1c(c(ncc1OC)CO)OC	1125
+c1(-c2nc(F)ccc2)n(Cc3c(CCC)c4n(ccn4)c(C)n3)ccn1	5944
+O=Cc1sccc1CC(CCCC)CC	3537
+CC(C)(C)c1cc(n(-c2ccc(cc2)F)n1)NC(=O)c3cccc4cc(ccc34)Oc5ncnc(Cl)c5	330
+C(c1c2c(ccc1OCCF)C=C(C(=O)O2)C(=O)O)CC	108
+Ic1cc(ncc1)-n2c3c(c(n2)C(O)=O)CCCC3	2488
+Cc1c2c(nn1C)ccc3CCC(c23)=O	5945
+C(c1c2c(ccc1OCCCOCCCOc3ccc(c(c3CCC)O)C(C)=O)ccc(OCC(=O)O)c2)(=O)C	4
+c12c(CC(=NO)N)coc1c(Cl)ccc2	609
+CC(C)(C)ONC(=O)C1(C)COCCC1NS(=O)(=O)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4	139
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=O	139
+C(c1c2ccccc2nc(n1)CCNC(C)=O)(O)=O	206
+CN(C)c1ccc2CN(CCc2c1O)C(=O)c3c4ccccc4nc(n3)CCNC(=O)C	147
+c1(c[nH]c2ncccc12)Cc3nnc4n3nc(-c5cnn(C)c5)cc4	2489
+Cc1ccccc1-c2nc(C)sc2NC(c3c4n(ccc(n4)Cl)nc3)=O	5946
+CC(C)CNCc1ncn2c(ncn2)c1CCC	3290
+C[Si](C)(C)CCOCn1c(-c2cc(Cl)ccc2OC(F)F)c(cn1)NC(=O)c3c4n(cccn4)nc3	5947
+CC(C)(C)OC(n1cc(CC#N)c2c1ccc(c2)C(=O)OC)=O	389
+FC(F)(F)c1ccc(cc1)-c2sc(c(C)n2)CCOc3ccc4c(CCC)c[nH]c4c3	126
+C(c1c[nH]c2c1ccc(N)c2)C#N	0
+CC(C)(C)OC(NCCc1c[nH]c2cc(ccc12)[N+](=O)[O-])=O	5948
+C(c1c[nH]c2ncccc12)n3nnc4c3nc(-c5cnn(C)c5)cn4	5949
+C1CNCCN1Cc2cccc(c2)-c3nc4cccc(C(=O)OC)c4o3	131
+c12c(nnc(c1c([N+]([O-])=O)ccc2)O)Cc3ccc(F)c(Br)c3	3538
+C1Cc2c(c(cc(Br)c2)C(=O)O)OCC1	1
+C(c1cc(C#N)cc(-c2onc(n2)-c3ncccc3)c1)N	1551
+C(c1cc(C#N)ccc1I)C#N	158
+C1CN(CCN1C(C)=O)c2cnc(NC(Cc3cc(c(-c4cc(F)ncc4)nc3)C)=O)cc2	142
+C(c1cc(C)c(-c2cc[n+](c(C)c2)[O-])nc1)C(=O)O	103
+c1c(cc([n+](c1)[O-])C)-c2c(cc(CC(=O)Nc3ccc(cn3)-c4nccnc4)cn2)C	142
+C(c1cc(C)c(CNC(N2CC(N(c3cccc(F)c23)CCO)=O)=O)cc1)(N4c5c(cccc5)CCCC4)=O	21
+C(c1cc(C)c(CNC(N2CC(N(c3cccc(F)c23)CCNC)=O)=O)cc1)(N4c5c(cccc5)CCCC4)=O	110
+C(c1cc(C)c(CNC(N2CC(=O)N(c3cccc(F)c23)CC=O)=O)cc1)(N4c5c(cccc5)CCCC4)=O	24
+c1(cc(cc(C)c1F)NC(C(OC)=O)CCCCOCc2cc(C)c(F)cc2)C	5950
+CC(C)(C)OC(c1ccc(c(c1)C)Br)=O	1933
+C[Si](C)(C)CNC(=O)c1cc(c(cc1)Br)C	5951
+c1(cc(C)c(cc1)C#N)C(N2c3ccccc3N(CCC2)CC)=O	610
+N#Cc1c(cc(C(Nc2ccccc2-c3ccco3)=O)cc1)C	67
+O=Cc1cc(C(=O)O)cc(C)c1O	1934
+c1(C)c(ccc(c1)C(=O)OC)O	128
+C1CN(CCC1S(=O)(=O)NC(Cc2cc(C)c(cc2)OC)=O)c3c(C#N)cc(C(=O)OCC)c(n3)C	344
+O=C(N(OC)C)Cc1cc(C)ccc1	164
+c12ccc(-c3cccc4n(C)nc(c34)N)cc1CCN2C(=O)Cc5cc(ccc5)C	429
+C1CC(CCN1OC)(C(OC)=O)NC(Cc2cc(C)ccc2C)=O	726
+C1CN(CCC1(N(C(=O)Cc2c(C)ccc(C)c2)O)C#N)OC	1080
+O(c1c2cc(c(OC)cc2ncc1)OC)c3ccc(C)cc3C(=O)CC	155
+CC(C)(C)OCC1=C(C(c2cc(ccc2)CC(O)=O)C=3C(=O)OC(CC=3N1)c4c(cc(cc4C)C)C)C(=O)OCC	3539
+c1(nc(c(C(=O)OC)cc1Cl)-c2cc(F)ccc2)CNC(C)=O	206
+C(c1cc(Cl)c2nccn2c1-c3cc(F)ccc3)(=O)OC	1935
+Clc1cc(c(n2c1ncc2)-c3cc(F)ccc3)C(=O)O	1
+c1cc(ccc1Cl)-c2oc3c(c2)cc(cc3Cn4nc(C(=O)OCC)cc4C)Cl	1936
+FC(F)(F)CCC(c1cc(Cl)ccc1)C(O)=O	434
+Clc1cccc(Cc2nc(no2)C(=O)OCC)c1	3540
+c1cc(ccc1)Nc2nc(-c3c(nn4ccccc34)-c5cccc(c5)NC(Cc6cccc(c6)Cl)=O)ccn2	1294
+n1nc(-c2cnc(cc2)NC(=O)Cc3cc(F)c(-c4cc(F)ncc4)nc3)ccc1	142
+CCC(=O)N(Cc1cccc(I)c1)c2cccc(C#N)c2	1126
+CCOP(OCC)(=O)Cc1cccc(I)c1	590
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(OCc5cc(I)ccc5)cc4C	22
+COc1cncnc1OCC#Cc2cccc(CC#N)c2	121
+c1csc(c1)C(=O)Nc2cccc(C(=O)c3cc4NC(Cc4cc3)=O)c2	864
+C(c1cccc(NC(=O)c2n(nc(C)c2)C)c1)(=O)c3cc4NC(Cc4cc3)=O	187
+c1cc(COC2=C(Br)C(N(C(=C2)C)c3c(C)ccc(c3)C(NC)=O)=O)c(cc1F)CNC(OC)=O	14
+Nc1c(C(=O)OC)cc(N2C(=O)C=CC=C2)cc1	0
+C(OCC)(Cc1cc(OC)c(C)cc1)=O	27
+C(c1cc(c(Cl)cc1)O)C(=O)O	5
+C1CCCN1C(=O)Cc2ccc([N+](=O)[O-])c(c2)OC	10
+c1(I)cc(c(cc1)NCc2cc(OC)c(cc2F)OCc3ccc(nc3)OC)N	0
+c1c(OC)ccc(OC)c1C(=O)Cc2cc(cc(OC)c2)F	214
+FC(F)(F)c1ccc(cc1)CNCc2cc(ccc2Br)OC	370
+C(C#N)c1cc(OC)ccc1Br	163
+c1c2c(c(O)nc(Nc3ccn[nH]3)c2)ccc1OC	5952
+FC(F)(F)C(N=S(C)Cc1cc(nc(c1)OC)Nc2ncc(c(-c3c(OC)cc(cc3)F)c2)F)=O	5953
+C1CCC(C1)c2c(C(n3nc(c4ncccc34)-c5c(cc(cc5)C(O)=O)F)=O)c(Cl)ccc2	5954
+N#Cc1cc(c(cc1F)COc2cc(c(Cl)cc2)Cl)Br	22
+C(c1cc(c(cc1O)C(=O)O)F)CC	1
+CC(C)(C)c1cc(NC(c2ccc(c(-n3cc(-c4ccc(Cl)nc4)nn3)c2)C)=O)c(c(c1)NS(=O)(=O)C)OC	67
+C(c1cc(c(C)cc1)N2C(=O)c3cc(ccc3N=C2)O)(=O)O	5
+C1CCCCN1CCOc2cc3C(N(c4cc(C(O)=O)ccc4C)C=Nc3cc2)=O	53
+c1c2C(N(c3c(C)ccc(c3)C(=O)OC)C=Cc2ccc1O)=O	128
+C(OCC)(Cc1cc(c(Cl)cc1)O)=O	456
+C(c1cc(c(Nc2nc(-c3n4c(cccc4)nc3)c(Cl)cn2)cc1)OC)C(=O)O	55
+Nc1c(NC(C)=O)c(Br)c(O)c(C(=O)OC)c1	0
+c1cccn2c(-c3nc(ncc3Cl)Nc4c(cc(cc4)CC(N5CC(CC5)O)=O)OC)cnc12	10
+C1CCCCC1Cc2noc(C=Cc3ccc(OC)c(c3)OC)n2	3410
+C1CC1c2noc(C=Cc3cc(c(OC)cc3)OC)n2	5955
+C1CN(CCC1N(C2CC2)C(=O)c3ccc(-c4cnco4)c(c3)F)c5ncc(C)nc5	30
+c1(C=O)cc2c(cc1)cccc2Cc3c(cc(cc3)C(=O)OC)OC	1937
+c1cc2CCC(NC(OCC)=O)C(Cc3cc(c(cc3)Cl)Cl)c2cc1OC	101
+C(Br)C(=O)c1c(ccc(c1)C(=O)OC)O	47
+C(CNC(c1cc(c(cc1)O)F)=O)C(OCC)=O	14
+c1c(ccc(c1OC)O)CC(OC)=O	27
+c1c(cc(OC)c(Oc2c([N+](=O)[O-])c3c(nccc3)cc2)c1)CC(O)=O	415
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1OC)CC(OC)C(=O)O	154
+C(c1cc(c(cc1)O)OC)C(OC)C(=O)O	4
+c1cc(cc(c1OC)O)CC(OCC)=O	27
+C1CC(CCN1C)N(C(=O)Cc2ccc(OC)c(O)c2)Cc3ccc(cc3)C	10
+CC(C)CCN(CCC(C)C)C(=O)c1ccc([N+]([O-])=O)c(F)c1	30
+CCCc1c(O)c(c(C(=O)O)c(F)c1)[N+](=O)[O-]	31
+c1cnccc1-c2c(-c3ccc(cc3)OCc4nc5ccccc5c(Cl)c4)nn(c2)C	1538
+C(O)c1cc(cc(c1CBr)Br)F	98
+c1nc(ncc1C(=O)NCc2cc(cc(c2)C(=O)OC)C)N3CC(Oc4ccccc4OCC)CCC3	484
+CCc1cc(cc(CC)c1-c2cc(C=O)ccc2)OCCCS(=O)(=O)C	267
+C(C)c1cc(cc(CC)c1-c2cc(COc3cc4OCC(CC(OC)=O)c4cc3)ccc2)OCCCS(=O)(=O)C	20
+c1(cc(CC#N)cc(c1)CO)I	5956
+Clc1cc(cc(c1)CC(OC)=O)Br	27
+c1cc(ccc1CN2C(c3c(cc(Br)cc3Cl)C2)=O)CC	854
+c1cc(ccc1-c2oc3c(cc(F)cc3C(=O)OC)c2)CN(C)C	1936
+C(c1cc(cc(c1O)Br)Br)C#N	2490
+c1c(c(O)c(Br)cc1Br)CC(=O)O	508
+CC(C)(C)OC(Cc1cccc(Br)c1)=O	3541
+C(OCC)(Cc1cc(ccc1)Br)=O	939
+C(OCC)(Cc1cc(ccc1)Br)=O	27
+c1(cccc(c1)CC(OC)=O)Br	27
+c1(cccc(c1)CC(NNC=2N(CCCCC)c3[nH]cnc3C(N=2)=O)=O)Br	355
+c1c(NC(=O)Cc2cc(ccc2)Br)c3c(CCC(O)C3)cc1	33
+c1cc(ccc1CCO)OCCOCc2cc(ccc2)C#N	8
+C[Si](C)(C)CCOCn1nc(c2c1cc(cc2)Br)C(Nc3cn(nc3)Cc4cccc(c4)C#N)=O	2491
+C(c1cc(ccc1)C#N)n2ncc(N)c2	209
+CC(C)(C)[Si](C)(C)OCCN(C(=O)Cc1cc(C(=O)OC)ccc1)c2ccccc2	429
+CC(C)NC(Cc1cc(O)ccc1)=O	2458
+C(OCC)(Cc1cc(ccc1)O)=O	27
+c1c(cccc1O)CC(OC)=O	27
+FC(F)(F)c1ccc(Oc2cc(CC(O)=O)ccc2)c(c1)C=O	46
+c1c(cccc1O)CC(OC)=O	5957
+C(Nc1ccc(Cl)c(c1)Cl)(=O)Cc2cccc(c2)O	33
+c1csc(C(NCC(C(=O)OC)NC(=O)c2ccc(C(=O)NCc3cc(O)ccc3)cc2Cl)=O)c1	259
+C1COCCN1C2=NN(C(=O)c3ccccc23)NC(Cc4cc(ccc4)OC)=O	2487
+CC(C)(CO)C(=O)NCc1cc(ccc1)OC	9
+CC(C)(C)OC(NC(C(O)CNCc1cc(ccc1)OC)Cc2cc(F)cc(F)c2)=O	122
+CC1(C)C(C)(C)OB(O1)c2sc(cc2)C(=O)NCc3cccc(c3)OC	227
+C(c1cc(ccc1)OC)Nc2nc(Cl)ncc2Cl	40
+C=1(N(Cc2cc(ccc2)OC)C(=O)C=C(O)C=1)C	5958
+c1cc(ccc1-c2cc(ccc2C)-c3nnc(C)o3)C(NCc4cc(ccc4)OC)=O	14
+c1cc(ccc1C(=O)NCc2cc(ccc2)OC)C(=O)C	14
+c1c(cc(cc1)Nc2ncc(c(n2)NCc3cc(ccc3)OC)Cl)CCCO	55
+C(c1cc(ccc1)OC)OCCBr	552
+c1(Cl)cc2c(cc1O)OC=C(c3cc(ccc3)OCCCCC#N)C2=O	3535
+CC(C)(C#N)c1cc(F)ccc1C	2451
+c1ccccc1COc2cc(c(cc2)O)C(=O)OC	22
+c1c(ccc([N+]([O-])=O)c1COC(C)=O)C(=O)OC	283
+c1cc([N+]([O-])=O)c(cc1F)CSC	639
+CC(C)(C)Nc1nc(Nc2ncnc(c2)C=C)cc3C=CN(C(=O)c13)CCO	346
+c1cc(CC2c3cc(C(=O)O)[nH]c3CC2)c(C)cc1F	1
+CC(C)(C)OC(=O)n1c(C(=O)OC)cc2C(=O)CCc12	1552
+C(c1cc2c(CCC2c3cc(ccc3)Br)[nH]1)(=O)OC	3542
+C(c1cc2C(Cc3ccc(cc3C)F)CCc2[nH]1)(=O)OC	5959
+c1cc(ccc1Cl)C2CCc3[nH]c(cc23)C(OC)=O	3542
+C(c1cc2c(CCC2c3cc(ccc3)C#N)[nH]1)(=O)OC	160
+c1c(C#N)cc(cc1)C2c3cc(C(=O)O)[nH]c3CC2	1
+c1c(cc2c(OC(C)C(=O)N2)c1)CO	49
+c12OCOc1ccc(COc3c(C(=O)OC)c(C(OC)=O)ccc3)c2	20
+C(c1cc2c(N)cccc2[nH]1)(=O)OC	0
+CC(C)(C)OC(=O)n1c2c(cc(C)cc2cc1C(OC)=O)[N+]([O-])=O	389
+c1(cc2c(cc1)OCCO2)CCl	109
+c12ccc(cc1n[nH]c2)C(NC)=O	14
+c1(CC#N)ccc2c(c1)ccc(F)c2	2490
+c1c2cc[nH]c2cc(c1)C(N(OC)C)=O	280
+c1c(C=O)ccc2ccc(C#N)cc12	2492
+c1(cc2c(cc1)cccc2[N+]([O-])=O)C(=O)N	169
+n1n(CCCC)c2ccc(cc2n1)CO	49
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	82
+CC(C)(c1cc(C(Nc2cc(c(cc2)C)NC(c3cc4ncc(Cl)nc4s3)=O)=O)ccc1)C#N	864
+c1(CC#N)ccc2cc(OC)ccc2c1	163
+O=S(=O)(C)NCCc1ccc2cc(ccc2c1)OC	111
+C(c1cc2ccccc2cc1)(=O)Nc3ccc(CBr)cn3	223
+c12c(cccc1)c(CC(=O)OCC)nn2Cc3ccc(nc3)NC(c4cc5ccccc5cc4)=O	5960
+c12cc(CC(O)=O)n(c1cccc2)C	3
+n1c2cc(ccc2n(c1C)CC)C(=O)OC	47
+n1c(C)sc2ccc(cc12)C(=O)OC	272
+c1cc(ncc1Br)C(NCc2ccc(-c3cc(F)ncc3)nc2)=O	81
+O=S(=O)(C)NCc1ccc(nc1)-c2n(nc(C(N(CC)C)=O)c2)-c3ccc(OC)nn3	111
+c1(ccccc1COc2cc(C)c3c(c2)n(c(C)n3)Cc4c(cc(-c5occn5)cc4)Cl)C(OC)=O	505
+Clc1c(ccc(c1)C(N(OC)C)=O)Br	280
+c1ccccc1C(=O)c2cc(Cl)c(Br)cc2	358
+O(Cc1ccc(Br)c2oc(nc12)C)C	382
+CC(C)(C)OC(NCc1cnc(cc1)Br)=O	37
+c1(C=O)cc(Cl)c(CBr)cc1	1295
+CC(C)(C)OC(NCc1ccc(c(Cl)c1)C(=O)OC)=O	37
+c1cc(C(=O)OC)c([N+]([O-])=O)cc1CO	49
+O=S(=O)(C)OCCc1ccc(cn1)C(C)OCOC	7
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1ncc(C=CC(=O)NCCCCc2nc(NCC)c(C(NC)=O)cc2)cc1	711
+C1CC1NC(=O)c2cc(C=3C(=O)N(C)c4nc(ncc4C=3)SC)c(C)cc2	14
+c1(C=O)cc(I)c(C)cc1	5961
+C1CN(CCN1C)Cc2cc3nc(-c4cc(I)c(C)cc4)[nH]c3cc2	1127
+FC(F)(F)c1cccc(c1)NC(=O)c2cc(I)c(cc2)C	67
+FC(F)(F)c1c(-n2cnc(c2)C)ccc(c1)NC(=O)c3cc(I)c(cc3)C	67
+C(Cc1ccc(C)c(c1)F)(N)=O	83
+c1(ccc(C)c(c1)F)CN2C(=O)C(CC2)Br	1553
+Nc1c(C)ccc(C(=O)OC)c1C	0
+c1cc(ccc1Cl)C(=O)c2ccc(cc2Cl)C	222
+c1cc(ccc1)C(=O)NC(Nc2cc(ccc2CCC)C)=S	865
+C(c1ccc(C)nc1)NC(=O)c2cc(cc(c2)-c3ccc(cn3)C)Br	14
+N(Cc1cnc(cc1)C)C(c2nnn(CC(CCc3cc4c(nn3)[nH]c(-c5c(cccc5)F)c4)F)c2)=O	312
+c1(ccc(C)cn1)-c2cc(cc(-c3ccccc3F)c2)C(=O)NCc4cnc(cc4)C	11
+CC(C)C(=O)NNc1c(C(OC)=O)ccc(C)n1	1296
+Nc1cc(C(=O)O)ccc1CC	0
+C(c1ccc(nc1Cl)CNC=O)(=O)OC	707
+[N-]=[N+]=NCc1ccc(C(=O)OC)c(Cl)n1	5962
+C1CC(CCO1)Nc2c3c(n(CC)nc3)nc(CC)c2CNC(=O)CCC(=O)NCc4cc(Br)c(cc4)Cl	9
+C(c1ccc(Cl)c(c1)C=O)NC(CC)=O	39
+N1=NN(c2c(Cl)ccc(C(=O)OC)c2Cl)C(=O)N1C	2493
+c1([N+]([O-])=O)cc(C(=O)O)ccc1NCCCC	205
+CC(C)(C)OC(NCc1cc(C(=O)O)c(cc1)Cl)=O	37
+C1CC1NCc2c(ccc(c2)CNC(=O)CC)Cl	42
+C(O)c1c2c(c(Cl)cc1)nc3n2CCCN3c4ccc(cc4C)C(=O)N	295
+C(c1ccc(Cl)c2c1n3CCCN(c4ccc(cc4C)C(=O)N)c3n2)(=O)OC	2393
+C(c1ccc(Cl)nc1NCCc2cccc(F)c2)(=O)OC	70
+C(#N)c1c(cccc1)-c2nc(c(C(OC)=O)cc2)NCCc3cccc(F)c3	140
+CC(C)C(=O)NNc1nc(ccc1C(=O)OC)Cl	1296
+O1C(=Cc2ccc(F)c(Br)c2)c3c(C1=O)cccc3	5963
+C1CC(CCO1)Nc2c(c(nc3c2cnn3CC)CC)CNC(=O)CC(NCc4cc(Br)c(cc4)F)=O	3543
+c1c(CO)cc(Cl)c(F)c1	611
+c1(c(Cl)c(F)ccc1C(=O)O)C	1297
+C(=O)(OC)c1cc(Cl)c(OCc2cc(F)c(cc2)F)cc1	22
+c1cc(ccc1)OCC2=CN(C(C=C2)=O)Cc3cc(F)c(cc3)F	5964
+C(C#N)c1ccc(F)c(F)c1C	163
+OC(c1cc(F)ccc1COc2cc(F)ccc2)=O	6
+Nc1cc(C)c(CCC(OC)=O)cc1Br	38
+Nc1cc(c(cc1)CCN)F	51
+C(c1ccc(c2c1cccc2)-n3ccnc3SCC(OCC)=O)#N	5965
+c1(cc(C(=O)OC)c(O)cc1NC(C)=O)[N+]([O-])=O	77
+CC(C)(C)OC(=O)NCc1cc(C(O)=O)c(O)cc1	37
+c1cc(O)c(cc1CCO)F	21
+C1CN(CCC1Oc2ncnc(c2C)Oc3c(F)cc(cc3)CC(=O)O)C(=O)OC(C)C	185
+c1cc(O)c(cc1CC(OC)=O)F	27
+c1(ccc(OC(C)=O)cc1Cl)Cn2c3nc(cc(C)c3nc2C)C(=O)OC	1484
+c1cc(cc(Br)c1OC)CC(OCC)=O	27
+c1cc(cc(Br)c1OC)CC(OC)=O	27
+c12ccc(cc1CCN(C2)Cc3ccc(OCC)cc3C)C(C)NC(C)=O	131
+c1ccccc1CN(C(C)COc2cc(c(cc2)O)C(=O)N)CC(O)COc3ccc(c(c3)O)C(=O)OC	170
+S(C)c1ccc(CC(OC)=O)cc1Cl	27
+C1CN(CCO1)C(=O)Cc2ccc([N+]([O-])=O)c(F)c2	10
+Cc1ccccc1-c2c(C(OC)=O)ccc([N+]([O-])=O)c2	11
+c1([N+]([O-])=O)cc(Cl)c(cc1)C(=O)O	1
+c1ccccc1-c2cc([N+](=O)[O-])ccc2C(OC)=O	667
+CC(C)(C)OC(=O)N1CCN(CC1C)Cc2c(cc([N+](=O)[O-])cc2)Cl	131
+c1(cc(nc(SCc2ccc([N+]([O-])=O)cc2Cl)n1)O)C	3291
+c1ccccc1COc2cc(ccc2C(=O)OC)[N+]([O-])=O	22
+[N-]=[N+]=NCc1c(ccc(CC(=O)O)c1)O	1298
+c1cc2c(cc1OC)C(Cc3cc(c(cc3)Cl)Cl)C(CC2)=O	5966
+c1cc(c(cc1Cn2c3c(c(c(cc3)OC)OC(=O)C)cc2C(OC)=O)Cl)Cl	190
+Clc1c(n[nH]c1C)C(=O)N(Cc2cc(c(cc2)Cl)Cl)CCCC	147
+c1(Cl)c(ccc(CC(OC)=O)c1)O	27
+c1ccccc1NC(=O)c2cc(c([N+]([O-])=O)cc2)Cl	67
+c1ccccc1SCc2ccc(Br)c(OC)c2C(=O)OC	1128
+c1(C(Cl)=O)ccc(c([N+]([O-])=O)c1)O	82
+c1cc(c([N+]([O-])=O)cc1CC(OC)=O)O	27
+c1cc(ccc1)C(c2ccc(Cl)cc2C)NC(=O)Cc3cc(c(O)cc3)[N+]([O-])=O	9
+c1cc(CC)cc(c1OC)-c2cc(c(cc2)O)C(CCl)=O	5
+c1(c(cc(cc1)-c2scc(CC)n2)CCC)OCCCOc3ccc4c(c3)ccn4CC(=O)OC	5967
+Cc1nc(N)nc(NCCCCC)c1Cc2ccc(cc2F)CC(OC)=O	27
+C(C)OC(=O)c1ccc(c(c1)O)C	47
+C(C)OC(=O)c1ccc(c(c1)O)F	47
+c1(sc2CCCCc2n1)-c3ccc(c(OC)c3)OCCCOc4cc5CCC(CC(=O)OCC)c5cc4	5968
+c1cc(ccc1C#N)OCCCCOc2c(C)c(c(cc2)C(CCC)=O)O	8
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(OCC)=O)#N	984
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(NCC(=O)O)=O)#N	3
+C(c1ccc(c2ccccc12)-n3c(SCC(=O)O)ncc3Br)#N	3
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(NCC(=O)OCC)=O)#N	188
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(NCCC(=O)OCC)=O)#N	9
+c1c(Br)c(CNC(C)CO)ccc1C(=O)OC	370
+CC(C)(C)CCN1CCN(CC1)C(=O)CCc2ccc(cc2C)C(OC)=O	10
+[N-]=[N+]=NCc1cc(C)c(CCC(OC)=O)cc1	1298
+C(c1ccc(cc1C)CCl)CC(OC)=O	109
+C1CC(=O)c2cc(cc(C)c12)F	214
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CCOc3ccc(CCC(OC)=O)c(C)c3	267
+c1cc(ccc1)CN2CCC(Oc3cccc(NC(c4c(cc(cc4)F)Cl)=O)n3)CC2(C)C	330
+C1CC(=O)c2cc(cc(Cl)c12)F	94
+CC1(C)CON(Cc2ccc(NC(OC)=O)cc2Cl)C1=O	5969
+FC(F)(F)CCC(N(S(=O)(=O)c1ccc(cc1)Cl)Cc2ccc(C#N)cc2F)C(N)=O	3544
+[N-]=[N+]=NCc1ccc(cc1F)C(=O)OC	545
+C(c1ccc(OCC2CO2)cc1O)(=O)OC	72
+c1(c(OC)c(ccc1)CCCCCCOc2ccc(C(OC)=O)c(O)c2)OC	8
+c1(c(C(=O)O)cnc2c1cc(F)c(-c3ccco3)n2)O	5970
+C(c1ccc(cc1OC)OC)N2C=C(C(c3c2nc(-c4occc4)c(c3)F)=O)C(=O)O	108
+c1cc(ccc1NC(=O)Cc2cnc(cc2)Cl)C	33
+C1CCCCC1NCc2cnc(cc2)Cl	87
+C(c1ccc(-c2cc(F)ncc2)nc1)N	1299
+c1cc(ccc1C)-c2cc(cc(C(=O)N(CC(C)C)C)c2)C(NCc3cnc(Cl)cc3)=O	14
+c12n(c(Cl)c(C(=O)OC)cc1)cnc2	1905
+Oc1nc2nccnc2c(c1-c3ccc(nc3Cl)Cl)O	5971
+FC(F)(F)Oc1ccc(cc1)C=Cc2occ(n2)COc3ccc(CCCCn4ccnn4)nn3	485
+C(c1ccc2CCCN(c2c1)CCOC)n3ncc(C(=O)O)c3	6
+c1cc(ccc1)CN2CCCC(Cc3ccc4OCOc4c3)C2=O	1554
+CC(C)(C)OC(N(Cc1cc2c(OCO2)cc1)CCCBr)=O	23
+c1cc(ccc1)C(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)CN4CC(CC4)O	9
+c1c(C=O)cc2cc(c(OC)c(c2c1)OC)OC	39
+Clc1ccc(c(Cl)c1)CCNC(c2ccc3c(c2)ccn3-c4ccc(CC(OC)=O)cc4C#N)=O	14
+c1cc(ccc1OC)C(=O)NNC(Cc2cc3c(cc(C(OCC)=O)s3)cc2)=O	708
+C(c1ccc2c(cc(C)n2C)c1)n3ncc(C(=O)O)c3	6
+c12ccc(nc1ccc(c2)C(=O)OC)C	47
+C1CN(CCN1Cc2cc(C(NCc3ccc4c(nccc4c3)N)=O)cnc2)Cc5c(cccc5)F	56
+CC(C)(C(C(N1C(C(NCc2cc3c(c(N)ncc3)cc2)=O)CCC1)=O)NC(OCC)=O)SC(C)C	9
+c1cc(ccc1C(=O)c2cc(cnc2)C(=O)NCc3ccc4c(ccnc4N)c3)Cn5ncc(c5)C	56
+CC(C)(C)c1ccc(cc1)-c2oc3c(N4CCN(CC4)Cc5ccc6nccnc6c5)cccc3n2	131
+C(Cc1cc2nccnc2cc1)#N	163
+c1ccccc1NC=2C(N(C=CC=2)C(C(NCc3ccc4c(noc4c3)N)=O)OCC)=O	271
+C1CCCC1CNC(=O)Cc2cc3[nH]ccc3cc2	9
+n1c2c(ccc1)cc(cc2)C(=O)OC	47
+C(c1ccc2ncccc2c1)Nc3c(ncc(Br)n3)N	941
+C(c1ccc2ncccc2c1)n3nnc4c3nc(cn4)Br	3545
+c12c(C(=O)N(C1=O)CCON=C(c3cnc4c(n3)n(Cc5ccc6c(cccn6)c5)nn4)C)cccc2	332
+c1c(c(ccc1)F)-c2nc3c(nc2)nnn3Cc4cc5c(nccc5)cc4	356
+c1cc(ccc1)C(NC(Cc2cc3c(oc(Cc4cccnc4C)c3)cc2)=O)c5ccc(Cl)cc5C	9
+c1(ccc[nH]1)C(=O)NC	1938
+C1CC1NC(c2cccc(-c3csc4cnc(Cl)nc34)c2)=O	14
+c1cc(ccc1NC(C2CN(CC(C2)N=[N+]=[N-])C(=O)c3cc(-c4occc4)ccc3)=O)Cl	30
+c1cc(ccc1NC(=O)C2CN(C(=O)c3cccc(-c4occc4)c3)CCN2C(=O)OCc5ccccc5)Cl	30
+c1ccc(cc1C#N)C(=O)NN	296
+c1c(cc(C)cc1)C(NC)=O	14
+C1CN(CCO1)c2cc(c3nc(C)n(c3c2)Cc4c(C)c(C)ccc4)Br	505
+c1cc(ccc1)COc2c(cccc2C(OC)=O)C	22
+O=C(c1cccc(-c2cc(-c3ccc(O)c(C)c3)nc(O)n2)c1)O	5972
+c1cc(CO)cc(CC(=O)OCC)c1	1555
+C1CN(CCC1N(C(C)C)Cc2cccc(CC(=O)OC)c2)c3sc4c(ccc(c4)Cl)n3	131
+C1CCC(C1)CCC(Nc2c(CC)ccc([N+](=O)[O-])c2CC)=O	31
+C(c1cccc(Cn2c3c(nc2)c(nc(NCCCC)n3)N)c1)P(OCC)(=O)C	1484
+C(c1cccc(Cl)c1CBr)(=O)OC	29
+c1c(c(c(Cl)cc1)C)Cn2c(nc3c(cc([N+]([O-])=O)cc23)Br)CF	505
+C(c1c(CC#N)c(Cl)ccc1)(=O)OC	163
+Nc1c(Cl)cccc1C(=O)OC	0
+O(Cc1cccc(F)c1)c2cc3CCNC(=O)c3cc2	22
+C1CN(CCN1C(c2cccs2)=O)C3=C(C(=O)N(Cc4cc(ccc4)F)c5ncc(cc35)F)C#N	5973
+C1NCC2C(C)c3cc(Cl)c(cc3C12)OCc4cccc(F)c4	22
+CC(C)(C)OC(=O)N1CCC(CC1)Sc2ccc(cc2)OCc3cccc(F)c3	22
+CC(C)(C)OC(=O)NC(C1CC(C(=O)O1)Cc2cc(ccc2)F)Cc3ccccc3	2494
+CC(C)c1[nH]nc(c1Cc2ccccc2OCc3cc(F)ccc3)OC4OC(C(C(C4O)O)O)CO	22
+C[Si](C)(C)c1c2n(c(C(=O)OCC)cc2ccc1)Cc3cc(F)ccc3	190
+N1(C(=O)N(C)Cc2c(Br)cccc12)Cc3cccc(F)c3	1939
+c1(N2C(CC(C(OC)=O)C2)=O)ccc(c(C)c1)OCc3cccc(F)c3	22
+c1c(c(F)cc([N+]([O-])=O)c1)OCc2cccc(F)c2	22
+O(c1c(C(=O)OC)c(C(OC)=O)ccc1)Cc2cccc(F)c2	22
+c1cc(ccc1S(=O)(=O)C)C(Cc2cccc(F)c2)C(=O)OC	3546
+c1cc(ccc1)CNC(c2c(nc(N3CCN(Cc4cc(F)ccc4)C3=O)s2)C)=O	1083
+CC(C)(C)OC(N1CCC(CC1)(C#N)c2cc(ccc2)F)=O	3297
+N1(Cc2c(ccc(-c3n(C)ncc3Cl)c2)C1=O)C(Cc4cccc(F)c4)C=O	24
+C(c1cccc(F)c1)C(CO)N2Cc3c(ccc(-c4n(C)ncc4Cl)c3)C2=O	5974
+C1CN(CCC1NCCCc2cc(F)ccc2)CC3N4C(=O)C=NC=5C=CC(=O)N(C4=5)C3	110
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ncc(Cl)c(-c3nc(ccc3)NCc4cc(F)ccc4)c2	182
+FC(F)(F)c1cc2c(c(O)c(c(SCC)n2)C(NCc3cc(ccc3)F)=O)cc1	1556
+COC(OC)C(=O)NCc1cccc(F)c1	248
+O=C(OCC)C(=Cc1cc(c(cc1)-n2cc(nc2)C)OC)CCCCNCc3cccc(F)c3	110
+C(c1cccc(F)c1)N=C=S	985
+C(c1cccc(F)c1)NC(=O)c2c(cc(Cl)nc2Cl)C	56
+C(c1cccc(F)c1)Nc2cc(C#N)cc(Cl)n2	70
+C(c1cccc(F)c1)Nc2nc(Cl)cnc2	464
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F	285
+C1CN(CCN1C)CC=2N(Cc3cc(F)ccc3)C(=S)NN=2	3547
+C(c1cccc(F)c1)NC(c2c(cc(Cl)nc2NCC)C)=O	70
+C1CN(CCO1)c2cc(c(c(NCC)n2)C(=O)NCc3cc(ccc3)F)C	43
+C(c1cccc(F)c1)Nc2cc(cc(-c3cc(ncc3Cl)F)n2)C#N	1299
+C1CC(CCC1Nc2cc(c(Cl)cn2)-c3cc(C#N)cc(NCc4cccc(c4)F)n3)N	182
+C1CC(CCC1N)Nc2cc(ccn2)-c3nc(cnc3)NCc4cccc(c4)F	182
+C(c1cccc(F)c1)Nc2nc(-c3cc(F)ncc3)cnc2	1940
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3	142
+c1cc(Oc2cc(ccc2)CN3C(c4c(cccc4C3)I)=O)c(OC)cc1	854
+c1cc(ccc1OC)CN2C(c3c(cccc3C2)I)=O	854
+C(OCC)(Cc1cccc(N)c1)=O	27
+C(c1cccc(c1)NC(OCC)=O)C(=O)O	90
+c1c(N)cc(cc1)CC(OC)=O	27
+O=C1c2c(cccc2)C(=O)N1c3cc(CC(O)=O)ccc3	668
+C(c1cccc(NC(=O)c2n(nc(C)c2)C)c1)(=O)c3ccc4c(c3)NC(=O)C4C=O	1557
+c1cc(ccc1CCN(C)C)NC=C2C(Nc3c2ccc(C(=O)c4cc(NC(=O)c5cc(nn5C)C)ccc4)c3)=O	1300
+c1cc(ccc1NC(C)CN(C)C)NC=C2C(=O)Nc3cc(ccc23)C(=O)c4cc(ccc4)NC(c5cc(C)nn5C)=O	1300
+c1cc(ccc1-n2ncc3cc(ccc23)OC(c4cccc(c4)OC)C(C)N)Cl	669
+c1cc(ccc1F)-n2ncc3c2cc(C)c(c3)OC(C(N)C)c4cc(ccc4)OC	669
+C(c1cccc(Sc2c([nH]c3cc(Cl)ccc23)C)c1)C(=O)O	1502
+Clc1ccc2c(Sc3cccc(c3)CC(OCC)=O)c([nH]c2c1)C	27
+CC(C)(C)OC(NCc1cccc([N+](=O)[O-])c1)=O	37
+c12cc([nH]c1ncc(c2)CNCc3cc(ccc3)[N+]([O-])=O)C(OC)=O	249
+c1cc(ccc1)-c2c(F)cc(OC)c(c2)C(=O)NCc3cc(ccc3)[N+](=O)[O-]	14
+O=S(=O)(Cc1cc([N+](=O)[O-])ccc1)C	1547
+C(c1cccc([N+]([O-])=O)c1)n2ncc3cnc(nc23)Nc4cnn(c4)C	486
+C(c1cccc(N)c1)n2ncc3cnc(nc23)Nc4cnn(c4)C	0
+c1([N+]([O-])=O)cccc(C(=O)OC)c1CBr	29
+Nc1c(c(C(=O)OC)ccc1)F	0
+Nc1cccc(C(=O)OC)c1O	0
+NNC(=O)c1cccc([N+]([O-])=O)c1O	296
+c1(C(NCC)=O)cccc(C(=O)OC)c1	14
+c1c(cc(cc1)CCl)C(NC)=O	14
+CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCCNC(=O)c3cccc(F)c3)C4CCC4	14
+O1C(=O)C(C(OC1(C)C)=O)C(c2cc(F)ccc2)=O	3548
+[nH]1c2c(c(NC(c3cccc(c3)F)=O)c1)c(F)c(cn2)Br	487
+CC(C)(C)OC(c1cc(ccc1)I)=O	1075
+c1ccc(cc1C(=O)OC)I	47
+c1c(C(NC(C)CO)=O)cc(I)cc1	14
+c1ccccc1COC(=O)c2cccc(I)c2	470
+C(OC(=O)Nc1cccc(CCO)c1)C	21
+C1CN(CCC1)C(c2cc(ccc2)Nc3c4c(cc[nH]4)ncn3)=O	30
+C1C2CC3CC(CC1(C3)CO)C2NC(c4cccc(OCCc5ccccn5)c4)=O	14
+C(C)OC(=O)c1cccc(c1)SCC(=O)C	47
+c1(cccc(c1Br)C#N)COC(C)=O	283
+CC(C)(C)c1ccc(cc1)N2Cc3c(C2=O)c(ccc3)Br	5975
+c1nc(ncc1)-c2cccc(c2)CCN3C(=O)c4c(cccc4C3)Br	854
+FC(F)Oc1ccc(C(N2Cc3c(C2=O)c(ccc3)[N+](=O)[O-])CC(=O)OC)cc1OCC	5976
+c1(c(c(C)ccc1)OCC#N)COCCCNc2ccc3c(cccc3)n2	149
+O(Cc1c(c(C)ccc1)OCC#N)c2cccc(O)c2	22
+c1ccc2ccc(nc2c1)COCCCCOCc3cccc(C)c3OCC#N	149
+Nc1c(C(=O)OC)cccc1O	0
+C(Cc1cccc(n1)N)SC(=O)C	2495
+C(c1cccc2c1c(C)ccc2)n3c(nc4ccccc34)SCCCC(=O)O	3
+c1c(c2c(cc1)ccn2C)CC(N)=O	645
+c1c2c(cccc2ccc1F)Cn3c4ccc(cc4c(CC(OCC)=O)c3C(OCC)=O)F	190
+c1(ccccc1-c2[nH]nc(N)c2)Br	1941
+C1(C(CC)=CN(C2CC(O)C(CN(C)C(Cc3ccccc3Br)=O)O2)C(N1)=O)=O	58
+CC(C)CC(Cc1c(cccc1)Br)C(O)=O	1917
+C(C(=O)Cl)c1ccccc1CN=[N+]=[N-]	130
+c1(-c2cn(CCc3ccccc3Cl)cn2)nccc(C(=O)N)c1	541
+C(C(C)c1ccccc1F)(=O)OC	643
+C1C2(CC1(C2)NC(C)=O)OC(c3c(cccc3)OC(=O)C)=O	279
+c1(C(Nc2cc(ccc2)F)=O)ccccc1OC(=O)C	50
+O=S(=O)(c1ccccc1CCl)CC	593
+CC(C)C(N1CCN(CC1)c2ccc(NC(c3ncccc3)=O)cc2Cl)=O	772
+c1(nsc2ccc([N+]([O-])=O)cc12)NCCNC(=O)c3ccccn3	1938
+c1cc(ccc1)NC(c2ccccn2)=O	772
+O=S(=O)(c1ccc(cc1)NC(c2ccccn2)=O)Nc3c(cccc3)Cl	772
+C1CC(CCC1NC(c2cccnc2)=O)=Cc3cc([N+]([O-])=O)ccc3	1281
+C1COCCN1Cc2c(nc(NC(=O)c3cnccc3)s2)-c4occc4	1931
+CC(C)(C#N)c1cccc(C(Nc2cc(ccc2)N(C)c3ncc4c(sc(NC(c5cnccc5)=O)n4)n3)=O)c1	1931
+c1c(C(=O)Nc2c(C(=O)N)cc(cc2C)Br)cncc1	971
+C1CN(CCC1Oc2c3cnn(c3ncn2)-c4ccc(cc4)S(=O)(=O)C)C(c5cccnc5)=O	1558
+c1ccccc1CNc2nccc(-c3c(-c4cccc(C)c4)nc(NC(c5cnccc5)=O)s3)c2	1931
+c12c(c(C(=O)C)c(O)nc1nccc2)O	5977
+c1(cccnc1NC(c2sc(cc2)Cl)=O)C(=O)O	1
+C1CN(CCN1C(=O)c2occc2)C=3c4cc(ccc4N(C)C(=O)C=3C#N)F	2496
+C(OCC)(Cc1csc(C(=O)c2occc2)c1)=O	3549
+FC(F)(F)C(c1c(cccc1)NC(c2occc2)=O)O	1129
+Clc1ccc(cc1C(=O)O)NC(=O)c2occc2	1129
+c1cc(ccc1)C(C(NC(=O)c2occc2)C)Oc3cc4cnn(c4cc3)-c5ccc(cc5)C(OC)=O	5978
+c1cc(ccc1-c2sc(cc2C)C(=O)c3occc3)F	3549
+c1cc(ccc1S(=O)(=O)C)-c2cc3c(N(C(=O)C)C(CN3C(c4occc4)=O)C)cn2	5979
+c1cc(ccc1F)CN2c3ccc(cc3C(=C(C#N)C2=O)N4CCN(CC4)C(=O)c5occc5)C	2496
+c1ccccc1CN2c3ccc(cc3C(=C(C2=O)C#N)N4CCN(CC4)C(=O)c5occc5)Cl	2496
+c1cc(ccc1S(=O)(=O)ON=C(C#N)c2cccs2)OC(=O)C	5980
+C1CC(CCN1CCc2c(ccc(NC(c3cccs3)=O)c2)C)c4c5cccc(Cl)c5[nH]c4	864
+c1(ccc(C(c2cccs2)=O)c3CCCCc13)OCC(OC)=O	5981
+Clc1ccc2N(C(=O)C)C(=O)C(C(c3sccc3)=O)c2c1	5982
+c1ccc(NC(c2sccc2)=O)cc1C#C	864
+c1cc(ccc1)CNc2nc(NC(c3cccs3)=O)c(-c4nnn[nH]4)cn2	5983
+c1cc(ccc1C(=O)OCC)-c2c(C)ccc(NC(c3cccs3)=O)c2	864
+c1cnccc1OCCCNC(=O)c2cccs2	1256
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCN(C(=O)c4cc(ncc4)-n5ccnc5)C3)C(N)=N1	30
+C1CN(CCO1)CCOc2ccc(c3c2cccc3)NC(c4cc(ncc4)Cl)=O	50
+c1cc(ccc1F)C2CN(CC23CCN(CC3)Cc4ccccc4)C(=O)c5cc(Cl)ncc5	115
+c1(nccc(c1)C(=O)OC)N2NC=C(c3cnccc3)C2=O	47
+c1ccccc1CNC(c2cc(N3NC=C(C3=O)c4cccnc4)ncc2)=O	14
+CCCc1c(N)c(ncc1)C(=O)N	314
+FC(F)(F)c1cnc(c(c1)NC(=O)c2ccncc2Cl)O	660
+C1CCCC1CC(Nc2cc3c(cc2)n(cc3Cc4c(cc(C(=O)O)cc4)OC)C(=O)C)=O	33
+C1CCCC1OC(=O)Nc2cc3c(cn(C)c3cc2)Cc4ccc(C(=O)OC)cc4OC	90
+C(c1cn(c2ccc(N)cc12)C(=O)C)c3c(cc(C(=O)O)cc3)OC	0
+C(c1cn(c2ccc(N)cc12)C)c3c(cc(cc3)C(=O)OC)OC	0
+CC(C)c1n(nnn1)-c2cc(C(=O)NCc3ncc(nc3)C)cc(-c4ccc(cn4)Cl)c2	14
+Cc1cccc2c1ncc(C(=O)CCC)c2Nc3cc(OC)ccc3OC	179
+Cc1cccc2c1ncc(C(=O)CCC)c2Nc3ccccc3OC	179
+C(CCC)(c1c(c2cccc(C(=O)C)c2nc1)Nc3ccc(cc3C)O)=O	179
+C(CCC)(c1c(c2cccc(c2nc1)O)Nc3ccc(cc3C)F)=O	179
+C(c1cnc2c(cccc2c1Cl)O)(CCC)=O	390
+c1c(nc(cc1)NC(=O)Cc2cncc(-c3cc4CCC(N(c4cc3)C)=O)c2)C	142
+C(c1cncc(-c2cc3CCC(N(c3cc2)C)=O)c1)C(=O)O	156
+CN(C)C(=O)Cc1cc(Br)cnc1	10
+n1cc(cc(c1)CC(OC)=O)Br	167
+c1ccccc1Nc2nc(ccc2C(NC)=O)C#CCCNC(=O)NCc3cccnc3	2348
+C(c1cnccc1)n2c(nnn2)-c3c(Cl)c(Br)ccc3	2497
+C(c1c(scc1)Br)C(CCCC)CC	407
+Clc1cccnc1-n2cc(Br)cc2C=O	986
+n1(c(CNC)cc2ccccc12)C	729
+C(c1nc2c(C)cc(cc2n1CCO)Br)CC	44
+FC(F)(F)C(C)(C)c1c(cc(cc1F)C2CC2C(=O)NCC(=O)c3nccn3CC)F	612
+c1(nc(C)ccc1Cl)C(=O)OC	128
+FC(F)(F)COc1ccc(OCc2ccccc2)cc1C(=O)NCc3nc(ccc3)O	93
+O=S(=O)(OCCn1c2c(nc1CCC)c(C)cc(c2)Br)C	7
+CONCCCCn1c(CCC)nc2c(N)nc3cccnc3c12	2498
+CC(C)=Nn1c2c3ccc(Br)cc3ncc2nc1CCC	5984
+C(c1nc2c(N)nc3cccnc3c2n1CCCC=NOC)CC	461
+C(c1nc2cnc3cccnc3c2n1CCCC=NOC)CC	410
+C(c1ncccc1)(O)c2cc(c(N)cc2)OCC	0
+c1c(Cc2cn3c(cccc3)c2C(=O)OC)c(c(F)cc1)C	5985
+c1c[n+]([O-])c(cc1)CCC	341
+C(c1ncccc1)CCCCCl	723
+N#CCOc1c(COc2cccc(c2)OCCc3ccccn3)cccc1C	20
+c1cc(ccc1)CN2CCC(CC2)Nc3nc(ncc3Br)NCc4ccccn4	96
+CC(C)(C)NS(=O)(=O)c1cc(cnc1)-c2nnc(c3c2cccc3-c4ccccc4)NCc5ccccn5	232
+CC(C)(C)OC(NCc1ccccn1)=O	37
+Cc1c(-c2cc3c(cc2OC)c(c([N+]([O-])=O)cn3)NCc4ncccc4)c(C)on1	105
+Cc1nc(nc(O)c1C)NCc2ncccc2	785
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)CCN(c3cc([N+]([O-])=O)c(C(NCc4ccccn4)=O)cc3)C1	14
+FC(F)(F)c1cc(nc(NCc2ncccc2)c1)Cl	70
+C(OC(OCC)c1ncc(C(=O)NCc2ccccn2)c(C)n1)C	5986
+O=C(OCC)C(=O)NCc1ncccc1	2499
+O=S(=O)(c1cc(ccc1)C(O)=O)NCc2ccccn2	71
+C(NCc1c(cccc1)OC)c2ccccn2	3550
+C(Nc1c2c(Br)csc2ccn1)c3ncccc3	2500
+c1([N+]([O-])=O)ccc(nc1)NCc2ncccc2	70
+c1(ccc(OC)cc1-c2nc3c(cccc3CNCc4ncccc4)o2)OCOC	5987
+c1c2CCCC(N(C)Cc3nc4c(cccc4)n3CC(=O)NCc5ncccc5)c2ncc1	9
+c1ccccc1-c2c(c(on2)C)COc3ccc(cn3)C(=O)NCc4ccccn4	56
+c1cc(ccc1)-c2c3c(ccc2)nc(Cl)nc3NCc4ncccc4	40
+c1ccccc1-n2ncc3c2ncnc3NN=Cc4ccc(cc4)C(NCc5ncccc5)=O	14
+c1cc(ccc1F)CN2C(N(CC2)c3nc(c(C(=O)NCc4ccccn4)s3)C)=O	454
+c1cnccc1SCCCNCc2ccccn2	1130
+c1ccccc1-c2c3c(nc(nc3NCc4ncccc4)Cl)sc2	1108
+c1ccccc1CN2C(CCC2=O)C(NC(Cc3ccccc3)C(C(NCc4ncccc4)=O)O)=O	9
+C(c1nccs1)N2C(C(Br)=CC(C(=O)OC)=C2CBr)=O	1093
+O=S(=O)(c1ccc(cc1)C)N(CC=2N(C(C(Br)=CC=2C(OC)=O)=O)Cc3sccn3)CC(=O)OC	3551
+C(c1nnc2N(CCCCC)c3nc([nH]c3C(=O)n12)Br)c4cc(ccc4)Br	866
+n1c(cc(CCCc2cc3c(cccc3)cc2)o1)C(=O)NCC4OCOC4	81
+C1CN(CCO1)C(=O)c2ccc(-c3nc(ncc3)SC)s2	867
+FC(F)(F)C(CC(=O)c1sc(c2c1CCC2)C(OC)=O)(c3cc(Cl)c(c(c3)Cl)F)O	3552
+CC(C)(C)OC(CCNC(c1ccc(Cl)s1)=O)=O	227
+s1c(C(=O)OC)ccc1Cl	1532
+c1cc(-n2cnc(CNC(c3sc(cc3)Cl)=O)c2)ncc1Br	227
+c1cc(ccc1I)-n2cnc(CNC(c3sc(cc3)Cl)=O)c2	227
+C(C)C(CC)Nc1ccc(cc1NC(Cc2ccc(Cl)s2)=O)C(OC)=O	33
+CN(C)C=CC(c1c(c2cc(ccc2s1)Cl)CC)=O	277
+C(CCc1cccs1)CCC	2501
+C(n1c(-c2c(ccc3[nH]ncc23)C)nc(c1Cl)Cl)CCC	1559
+C(n1c(-c2c(C)ccc(c2C)N)nc(c1Cl)Cl)CCC	0
+c1(ccccc1Br)Cn2c(N3CC(N)CCCC3)nc4c2C(NC(=O)N4C)=O	1811
+c1cc(ccc1)CCN2C(=O)c3c(nc(Br)n3Cc4ccccc4Br)N(C)C2=O	1474
+c1c(CC)nn(CC(O)=O)c1CC	3
+CC(C)(c1c(nc(nn1)-c2c3c(n(Cc4c(F)c(F)ccc4)n2)nc(C)cc3)O)C(=O)OC	3553
+C(n1c2c(c(n1)C(NN)=N)ccc(C)n2)c3cccc(F)c3F	3554
+O=S(=O)(c1ccccc1[N+]([O-])=O)NCCCCn2c3c4c(cccc4)nc(N)c3nc2CCOC	71
+C(COC)n1c2ccc(C(=O)O)cc2nc1-c3cc4c5ccccc5n(CC)c4cc3	1301
+c1cccn2c1ncc2C(Nc3cccc4n(CC=5C(=O)N(C(=CC=5)C)C)nc(CC)c34)=O	5988
+CC(C)CC(NC(C1CCCCC1NC(c2n(c3ccccc3c2)CCCCl)=O)=O)C#N	81
+c1cc(ccc1OCCn2cncc2)[N+]([O-])=O	57
+Clc1nc(nc(Cl)n1)Nc2cn(CC#N)cn2	3555
+[N-]=[N+]=NCCn1cnc2cc(ccc12)C(=O)OC	558
+c12c(cccc1)C(=O)N(C2=O)CCCCc3n(CC)nc(C#N)c3Br	851
+n1(C=C)cc(cn1)C(=O)OCC	5989
+CC(C)(C)OC(=O)n1nc(N)c2c1ccc(C3C(=C(C)NC(=C3C#N)C)C#N)c2	868
+C1CCCCC1NC(C2=C(O)c3c(ccc(c3)F)N(C2=O)C)=O	1112
+c12cc(C)ccc1N(C(C(C(=O)OCC)=C2OC)=O)CCCCCC	5990
+c1(C(CNCC(=O)OC)=O)c(O)c(NC2=C(OC)C(=O)C2=O)ccc1	5991
+C=1(O)c2c(N(C(=O)C=1C(C=Cc3cc(ccc3)NC(=O)COC)=O)C)nccc2	3556
+CN(C)C=CC1=C([N+]([O-])=O)C(=O)NC(=O)N1	3557
+C1CC1c2cc(ccc2-n3nnc(c3C)C(=O)NC=4C(=O)N(c5ccccc5F)N(C=4C)C)Cl	5992
+C1(=C(N=C2N(C1=O)C=C(F)C=C2)COC(C)=O)Br	3558
+C=1(C(N2C(=NC=1CO)C=CC(F)=C2)=O)Br	2502
+C1(CCCC(c2ccc(OCOC)cc2OCOC)C1)CO	3559
+n1c(C#N)c(Cl)cc(C(=O)OC)c1Cl	5993
+n1c(C#N)c(Cl)cc(C(=O)OC)c1-c2cc(F)ccc2	5994
+COc1ccc2c3C(CCCc3[nH]c2c1)=O	5995
+C1(=CC(Oc2cc(ccc12)O)=O)CCO	5996
+c1ccccc1COc2cc3c(cc2)C(=CC(=O)O3)CCO	22
+CC(C)(C)OC(=O)CN1C(N(C)C=C([N+](=O)[O-])C1=O)=O	3560
+FC(F)(F)c1cc(Oc2ccc(cc2)CSc3ncc(Cn4ccc5ccccc45)c(O)n3)ccc1Cl	3561
+O=S(=O)(OCCN1C(Cl)=CN=C(NCCc2ccccn2)C1=O)C	5997
+C1(=NCCc2ncccc2)C(N(C(=CN1)Cl)CCO)=O	59
+C(=O)(c1n(-c2c(Cl)cccn2)nc(Cl)c1)Nc3c(C)cc(C#N)cc3C(=O)NC	1302
+C1(=Nc2c(C)cc(C#N)cc2C(O1)=O)c3cc(nn3-c4ncccc4Cl)Cl	1942
+c1cc(ccc1)SCCCOc2nnc(O)c(c2Cl)Cl	5998
+C12=C(C(=O)N(CCCC)C=C1CCCC2)C(=O)O	5999
+C1(=O)C(=O)Nc2c(cc(c(c2[N+](=O)[O-])N)Cl)N1	6000
+C1(Nc2cc(c(c(c2NC1=O)N)N)Cl)=O	0
+OC(c1c(cc2c(c1)CCC2)N)=O	3562
+C1CC(c2cccc(Cl)c12)N3C(N(c4cc5c(N(C(S5)=O)C)cc4)C=C(c6nnn[nH]6)C3=O)=O	3563
+C1(C(=CN(c2cc3c(N(C(S3)=O)C)cc2)C(=O)N1C4c5cccc(c5CC4)OC)C(=O)O)=O	108
+c1c(nccc1)CN(Cc2ccccn2)CC(NC3C(=O)N4C3SCC(=C4C(OC)=O)COC(C)=O)=O	224
+C1(=O)C(=O)Nc2c(cc(c(c2[N+](=O)[O-])N)Cl)N1	3564
+C1(=O)C=CC(=O)N1CCCCN2C(=O)N=NC2=O	6001
+CC1(C)CC2=C(C(c3ccc(Sc4[nH]c5ccccc5n4)o3)c6c[nH]c(c6N2)C(=O)OCC)C(=O)C1	2503
+CC1(C)CC(=O)C2=C(NC(=C(C2c3ccccn3)C(=O)OCC)COCCN=[N+]=[N-])C1	6002
+C1c2c(cccc2OC)C3CCNC3C1	15
+CC(C)CC(C(=O)NC)NC(=O)C(CC(C)C)CP(=O)(O)CN1C(CCC1=O)=O	1560
+C1(=O)CCC(=O)N1Cc2ccc3c(nc(cc3-c4ccc(cc4)F)C(N)=O)c2F	247
+C1(=O)CCC(=O)N1Cc2c(F)c3c(cc2)c(cc(n3)C(=O)O)-c4ccc(cc4)F	1
+C1CN(CCN1C=2c3c(Nc4c(cc(CNC(=O)CCC(=O)OC)cc4)N=2)sc(c3)C)C	1280
+O=S(=O)(c1cnc(cc1)OCCC2CC2C3CCN(CC3)C(OCC4CC4)=O)C	613
+C1CC(CCN1C(OCC2CC2)=O)C3CC3CCOc4cc(F)c(CC(=O)N5CCC5)cc4	613
+n1c(C)sc2c1CCCC2=O	6003
+c12sc(nc1CCCC2=O)NC	3565
+C1CC(CCN1c2nc3c(cccc3)cc2)CCN4C(OCC4=O)=O	2504
+c1cc(ccc1CCN2C(COC2=O)=O)-n3ccc4cccnc34	2504
+c1cc(ccc1Br)CCN2C(COC2=O)=O	2504
+c1cc(ccc1)C(c2ccccc2)=Nc3cnc(c(C4(NC(=O)COC4)CF)c3)Cl	6004
+C1(=O)COCC(CF)(c2cc(Br)cnc2Cl)N1	559
+Clc1cnc(cc1)C(Nc2nc(C3(CF)COCC(=O)N3)ccc2)=O	6005
+C1(=O)COCC(c2nc(ccc2)Br)(CF)N1	559
+C1CN(CCN1c2ccccc2OC)CCCCN3C(CSC3)=O	28
+CC(C)(C)OC(=O)C(ON=C(c1cc(Cl)c(O)cc1)C(=O)NC2C3SCC(CSc4nnnn4C)=C(N3C2=O)C(=O)O)C	471
+CC(C)ON=C(C(NC1C2SCC(CSc3nnnn3C)=C(N2C1=O)C(=O)O)=O)c4csc(NC=O)n4	471
+O=C(C(=NOC)c1csc(N)n1)NC2C(=O)N3C(=C(CSc4n(C)nnn4)CSC23)C(=O)O	471
+[N-]=[N+]=NCCON=C(C(=O)NC1C(=O)N2C(=C(CSc3n(C)nnn3)CSC12)C(=O)O)c4csc(NC=O)n4	471
+O=S(=O)(c1n(CC(=O)NC2C3N(C2=O)C(C(=O)O)=C(CSc4nnnn4C)CS3)ccn1)C	952
+CC(C)(C)OC(CON=C(C(NC1C(N2C(C(O)=O)=C(CSC12)COC(=O)CC(=O)C)=O)=O)c3nc(sc3Br)N)=O	471
+C1CC1CN2C(NC(C=C2Cl)=O)=O	6006
+C1(=O)NC(C(=O)N1)CC(OC)=O	27
+c1cc(ccc1OC)CN2C(C(NC2=O)CC(OC)=O)=O	6007
+C1(=C(C(NC(=O)N1)=O)[N+]([O-])=O)C	2429
+C1(=O)NC(NC(=O)C12C3N(c4c(cc5c(CO)noc5c4F)C2)CC(C)OC3C)=O	194
+O=C1NC(NC(=O)C12C3C(OC(C)CN3c4c(cc(CO)c(F)c4F)C2)C)=O	59
+C1(COc2c(c(F)c(cc2)CCCl)N1C)=O	239
+C1(=O)Nc2c(OC1)cccc2OCC(OCC)=O	52
+C(OC(COc1cccc2OCC(=O)N(c12)C)=O)C	239
+c12c(N(C(C(N1)=O)=O)N)cc(Br)c(c2[N+]([O-])=O)Br	6008
+c12ccccc1OCCN2	15
+c1cc(ccc1)CC(c2ccc3OCC(Nc3c2)=O)=O	94
+c1(OC)cccc2C(NC(=O)c12)=O	6009
+c1c2CC(C3CC(N(C)C3=O)=O)C=Cc2ccc1	3566
+N1NC(c2cc(Br)ccc2C1=O)=O	6010
+c1ccccc1C(=O)c2cc(ccc2C(=O)O)Br	1943
+c1cccc2C(=O)N(C(=O)c12)CC(Cc3ccc(cc3)F)NC(c4cc(-c5c(Br)cnn5C)c(s4)Cl)=O	227
+c1cccc2C(=O)N(C(=O)c12)CC(NC(=O)c3csc(-c4n(ncc4Cl)C)n3)Cc5cccc(F)c5	2405
+c1cccc2C(=O)N(C(=O)c12)CC(NC(c3cc(-c4c(C)cnn4C)c(Cl)s3)=O)Cc5cccc(F)c5	227
+c1ccccc1Cn2c(CN)nnn2	45
+c1cc(ccc1[N+]([O-])=O)COC(c2cc(cc(c2C)O)N3C(=O)c4c(C3=O)cccc4)=O	470
+C1(=O)c2c(C(=O)N1c3ccc(c(c3)F)CC#N)cccc2	163
+C(c1ccc(N)cc1F)C#N	2505
+c1(N)c(c(Cl)ccc1C(=O)O)C	6011
+C1(=O)c2c(Oc3c(CBr)cccc13)cc(Cl)cc2	29
+CN(C)C(C1CCN(CC1)c2ccnc3c2c(C=C4Oc5cccc(O)c5C4=O)cn3C)=O	2506
+C1(=O)c2ccc(C(Cl)=O)cc2Sc3ccc(cc13)C	82
+C1(=O)c2ccc(cc2Sc3ccc(cc13)C)C(=O)OC	279
+c12OCCc1c3[nH]ccc3cc2	1561
+N1(c2c(F)cccc2C(=O)C1=O)C	3567
+c12c(F)cccc1C(=O)C(N2CCF)=O	6012
+C(=O)(c1c2c(c(F)ccc2)[nH]n1)O	6013
+O=C1c2c(C(=O)N1C(CC(CN3C(=O)c4ccccc4C3=O)=C)C(F)F)cccc2	6014
+C1CC(CCC1N)C2Oc3c(cnc4ccc(OC)nc34)NC2=O	45
+C1CC(CCC1N)OCC	45
+C1CC(CCC1OCCC)N	45
+C1CC(CCC1Oc2ccc(cc2)C(OCC)=O)N	45
+C1C(c2cccnc2)CC(N)C1	45
+NC1Cc2c3cc(C#N)ccc3n(Cc4nc(ccc4)F)c2C1	45
+CC(C)(C)OC(NCC=1N(C(=O)c2c(C=1OCCCC)cc(cc2)Br)CC3CC3)=O	2507
+c1ccc2c(c1)C(=O)N(C2=O)CCN3C(C)COCC3C	28
+C1CN(CCC1N2c3c(N(CCN4C(c5c(C4=O)cccc5)=O)C2=O)cccc3)C6CC7c8c(cccc68)CCC7	3285
+c1cccc2C(=O)N(C(=O)c12)CCOc3ccn4c(c(c(-c5ccccc5)n4)C=6C=CC(N(N=6)C(C)C)=O)c3	8
+c1ccc2C(=O)N(C(=O)c2c1)CCn3cnc(C(OC)=O)c3	541
+O=C1c2ccccc2C(=O)N1CCOc3c(-c4ccccc4)nc5c(cccc5)c3C(=O)NC(CC)c6ccccc6	458
+O=C1c2ccccc2C(=O)N1CCOc3c(cc(c(-c4ccccc4Cl)n3)-c5ccc(cc5)Cl)C#N	1923
+c1cc(ccc1CC=2c3c(cccc3)C(N(N=2)CC4CCCN4CCN5C(c6c(C5=O)cccc6)=O)=O)Cl	28
+c1cc(ccc1)C(c2ccccc2)OCC3CCN(CC3)CCN4C(=O)c5c(C4=O)cccc5	28
+C(CCCCCCCCCCCCCCC(O)=O)CN	45
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3C(=O)C(c4cc5c(OCO5)cc4O)c6ccccc36	462
+CC1(C)C(N(c2ccc(OCCCN)cc2N(C)C1=O)CC)=O	45
+c1cc(ccc1)C=2C=CC(N(CCN)N=2)=O	45
+c1(CN)c(C)onc1CCCC	45
+O=S(=O)(c1sc(cc1)CN2C(c3c(C2=O)cccc3)=O)Cl	2508
+FC(F)(F)c1cccc(S(=O)(=O)N2CCC(CC2)ON3C(=O)c4ccccc4C3=O)c1	92
+c12c(C(=O)N(C1=O)OCCOS(=O)(=O)C)cccc2	7
+C1(=O)c2ccccc2C(=O)N1c3nc(c(c(C)c3)C)Cl	174
+c1c2c(ccc1)C(=O)N(C2=O)c3cc(Br)n(Cc4ncccn4)n3	3568
+c1cccc2C(=O)N(C(=O)c12)c3cc(CC)n(n3)Cc4cc(ccc4OCC(C)C)Cl	309
+O=C1c2ccccc2C(=O)N1c3nn(c(c3)C)Cc4c(cccc4)OC	1944
+n1c(Cl)c(c(C)cc1N)C	1131
+[nH]1c(nc2c1C(=O)n3c(nnc3N2CCCCC)CCN)Br	866
+C1(=S)N(CCCCC)C(N)=C(N)C(=O)N1	721
+C1CCC1C(NC=2N(CCCCC)C(NC(=O)C=2N)=S)=O	6015
+C1(=S)N(C(=C(C(=O)N1)N=O)N)CCCCC	863
+C1(=O)C(=C2CCCCC2=CN1CCCC)C#N	6016
+FC(F)(F)COc1ccc(cc1)N2C(=S)NC=3C(=O)N(C=CC=3C2=O)Cc4c(OC)cc(cc4)OC	6017
+C(CC)CN1C(N)=C(N)C(NC1=O)=O	721
+NC=1C(NC(=O)N(CCCCC)C=1N)=O	721
+NC1=C(N)C(NC(=O)N1)=O	721
+FC(F)(F)C(NCC#CC1=CN(C2OC(C(O)C2)CO)C(NC1=O)=O)=O	6018
+c1ccccc1C(c2ccccc2)(c3ccc(cc3)OC)OCC4OC(N5C(=O)NC(C(I)=C5)=O)CC4O	604
+O=S1(=O)CCC(c2c1c(cc(c2C)C(OC3=CC(=O)CCC3)=O)C)OC(c4ccccc4)=O	6019
+c12N(C(CF)C)C(Cc1cccc2)=O	1562
+C1(=O)Nc2c(c(Br)c([N+](=O)[O-])c(Br)c2)NC1=O	77
+c12c(c(c(CC)cc1NC(=O)C(=O)N2)CC)[N+]([O-])=O	31
+C(OC(C1Cc2c3cc(OC)ccc3[nH]c2C1)=O)C	27
+O=C1CCC(=O)N1CCOc2c(OC)cc3C=4N(C=C(C(=O)C=4)C(=O)OCC)C(CC)Cc3c2	8
+CC(C)COc1cc2c(C=3N(C=C(C(=O)C=3)C(=O)OCC)C(CC)C2)cc1OC	8
+O=C1N(c2cc(OC)ccc2C(C)=C1)CCN3CC(C(OCC)=O)N(CC3)CCc4ccc5c(c4)OCCO5	61
+C1CC(C(C(=O)C=[N+]=[N-])CC1)C(=O)OC	1945
+c1(SC)nc(OC)c(I)c(NC2CC(CO)C(O)C2O)n1	40
+c1(ccc(CNC2C3CCC(C3)C2C(OC)=O)cc1C)F	42
+O=C(CNC(=O)C=1C(=O)N(Cc2c(F)cccc2)n3cccc3C=1O)O	3569
+C1C(OC(=O)C)C(OC(C)=O)C(OC(=O)C)C(O1)n2c(Br)nc3cc(c(F)cc23)F	3570
+C1CN(CCN1c2cc(ccc2OC(C)C)F)CCCN3C(C(=C(C3=O)C)C)=O	3433
+C1C(c2c([nH]c3c2cccc3)SC1)C(=NC)C	6020
+FC(F)(F)Oc1cccc(-c2cc(NC(=O)C3CNC(=O)C3C)nn2-c4ccccc4)c1	142
+CC(C)(C)[Si](C)(C)OCC1CC(OC(=O)C)CCC1(C2CCC3(C)C(CCC3=C)C2CO)C	19
+FC(F)(F)CSCC(=O)NC1C2N(C(C(O)=O)=C(COC)CS2)C1=O	952
+C1(c2cc(OC)c(cc2)OC)CC(CCC1[N+](=O)[O-])OC(=O)C	152
+C1(C(CC)=CN(C(N1)=O)C2CC(OC(=O)C)C(O2)CN(C)C(Cc3ccccc3Br)=O)=O	152
+c1(c(Cl)cccc1)C2CCC2N	733
+CC(C)(C)OC(N(C)C1C(O)CCCC1)=O	23
+OC1C(O)CN(C1)C(=O)CNC(=O)c2[nH]c3ccc(Cl)cc3c2	731
+OC1C(O)CN(C1)c2cc(nc(Cl)n2)C(=O)OC	54
+C1CC(CCN1C(=O)OCc2ccccc2)CCCCC(NC3C(=O)Nc4ccccc4SC3)C(=O)OCC	6021
+CC(C)(C)OC(=O)NC(CC(=O)NC1Cc2ccccc2NC1=O)Cc3ccccc3F	6022
+O=S(=O)(c1ccccc1)NC2C(=O)Nc3c(C2)cccc3	1946
+CC(C)(C)OC(=O)NCc1c2C(N(C3C(=O)NC(CC3)=O)C(C)=Nc2ccc1)=O	6023
+N(C(N)=O)Cc1cccc2c1C(N(C3C(=O)NC(CC3)=O)C2=O)=O	3571
+O(C)c1ccccc1Nc2cccc3C(=O)N(C4C(=O)NC(CC4)=O)C(c23)=O	3571
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)Nc4ccc5OCOc5c4)=O)=O	6024
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)OCc4cc5c(OCO5)cc4)=O)=O	3572
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)OCc4cccc(F)c4)=O)=O	3572
+c1c(Br)cc2c(C(N(C3CCC(=O)NC3=O)C2)=O)c1	3573
+CC(C)(C)OC(=O)NC(C(NC1Cc2c(NC1=O)c(N)ccc2)=O)CC(C)C	207
+CC(C)(C)OC(NC1Cc2c(NC1=O)c(cc(c2)Br)[N+](=O)[O-])=O	1245
+C=1(N(C(=S)NC(C=1N)=O)c2cc(CC)ccc2)N	721
+N1C(C(Nc2c1cc(c(c2C#N)Cl)N)=O)=O	0
+C1(C(O)C(C(O1)n2ccc3c(ncnc23)N)(O)C#C)CO	869
+CC(C)(C)OC(=O)NC(C(C)C)C(OC1C(OC(C1(C#C)O)n2c3c(cc2)c(N)ncn3)CO)=O	27
+c1cc(ccc1OP(OCC2C(C(C(N3C=CC(NC3=O)=O)O2)(C)F)O)(=O)NC(C(OC(C)C)=O)C)-c4cccc(F)c4	6025
+OCC1C(O)C(O)C2N=C(SC2O1)NC	6026
+FC(F)(F)C(NCC#CC=1C(NC(=O)N(C2OC(C(OCC=C)C2)CO)C=1)=N)=O	6027
+C1CC(C(=O)O)CN2C1CCOC2=O	4
+CC(C)(C)Nc1[n+]([O-])cc2CCC3N(CC(C(=O)OC)CC3)C(=O)c2c1	6028
+C1CC(C(=O)O)CN2C(c3c(cnc(F)c3)CCC12)=O	4
+C1(C(OC)=O)CN2C(c3c(CCC2CC1)c[n+](cc3)[O-])=O	103
+C1(C(OC)=O)CN2C(c3c(cnc(F)c3)CCC2CC1)=O	3574
+C1(C(OCC)=O)CCc2c3cc(ccc3[nH]c12)C(NO)=N	181
+C1(C(OCC)=O)CCc2c3cc(C#N)ccc3[nH]c12	180
+FC(F)(F)Oc1cc(C#N)cc(-c2nc(no2)-c3ccc4[nH]c5c(CCC5C(=O)OCC)c4c3)c1	6029
+CC(C)(C)OC(=O)NCC1Oc2c(Cl)cc(cc2C1O)Br	37
+c1c(c(ccc1)OC)-c2c(-c3cc(Cl)c(cc3O)O)n[nH]c2	3575
+CCC1(NC(C)(CC)CC2(C1C)NC(=O)NC2=O)C	6030
+CC12CCC(C(OC(C)=O)C1CCC2=C)C3(C(CC(OC(=O)C)CC3)CC=O)C	24
+c1cc(ccc1C)S(=O)(=O)OCCC2C(C)(CCC(OC(=O)C)C2)C3C(OC(C)=O)C4CCC(=C)C4(C)CC3	36
+c1cc(cc2c1C(CBr)=C(c3cnc(OC)nc3OC)C(=O)O2)OC	6031
+O(c1c(c2OC(=O)C(=C(C)c2cc1)C)C)C(=O)C	225
+C1(CN(CCC1=O)C(OCC)=O)C	66
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(C3(C(C)C)CC(CC3)NC4C(COCC4)C)=O	87
+FC(F)(F)S(=O)(=O)OC1=CCC(C(OCC)=O)CC1C	6032
+c1ccccc1CNC2C(C)CC(C(OCC)=O)CC2	87
+C1(C)CCCC(C)N1C(Cl)=O	6033
+CC1CCCC(C)N1Cc2nc(nc(c2)C)SCCCCCC	315
+C1(CCCC(C)N1C(=O)NNc2ccc(F)cn2)C	2452
+C1C(C)N(CCC1)c2n3cc(ccc3nn2)OC4CCC(N)c5ccccc45	870
+C1(C)CN(CC(C)C1)c2c(cc(cc2)B3OCC(CO3)(C)C)N	734
+C1(C)CN(CC(C)C1)c2c(N)cc(Br)cc2	0
+C1(CN(CC(C)N1S(=O)(=O)c2cccc(C#N)c2)CC(Nc3cccc(c3C)OC)=O)C	92
+C1(CN(CC(C)N1S(=O)(=O)c2ccc(cc2)C#N)CC(=O)Nc3cccc(c3C)F)C	92
+O=S(=O)(Nc1cc(ccc1Cl)N2CC(C)NC(C)C2)c3ccc(cc3)Br	69
+C1(C)CN(CC(C)O1)Cc2cc3-c4n(C(Nc3nc2)=O)ncn4	6034
+FC(F)(F)Oc1ccc(cc1)CN2c3ncc(cc3-c4ncnn4C2=O)CN5CC(C)OC(C)C5	6035
+C1(C)CN(CC(C)O1)Cc2cc(C#N)c(NC(=O)OCC)nc2	278
+c1cc(ccc1N2CC(C)NC(C)C2)OCCCN3CCCCC3	560
+CC(C)(C)OC(=O)n1nc(cc1)CN2CC(C)NC(C2)C	596
+C1(C)CN(CC(C)N1)CC(=O)Nc2c(c(OC)ccc2)C	224
+C1(C)CN(CC(C)N1)CCOCCN2c3ccccc3N(S2(=O)=O)c4ccccc4F	28
+C1(C)CN(CC(C)N1)CC(=O)Nc2cccc(c2C)F	224
+C1(C)CN(CC(C)N1)c2cc(c(cc2)Cl)N	560
+C1C(C)NC(CN1c2cc([N+]([O-])=O)c(OC)cc2)C	79
+CC1CN(CC(C)N1)c2ccc(cc2)C(=O)OCC	34
+C1CCN(C1)c2c3CC(N4c3c(c(c2F)N)C(C(C(O)=O)=C4)=O)C	34
+c1ccccc1C(Nc2ccc3C(CC(=O)c3c2)C)=O	3576
+CN(C)CCOC1C2(C(CC1)C3C(c4ccc(OC)cc4CC3)CC2)CC	649
+C1(C2(C)C(CC1)C3C(C4(C)C(=CC3=NO)CC(CC4)OC(=O)C)CC2)OC(C)=O	6036
+C1(C2(C)C(CC1)C3C(C4(C)CCC(CC4=CC3=NOCCCn5cncc5)OC(=O)C)CC2)OC(C)=O	871
+O=C1C=2CCCCC=2C(=O)N1c3cc(ccc3F)OC(C)C	313
+C12C(C(=O)C(C1=O)c3c(CC)sc(-c4ccc(cc4)Cl)c3)C5CCC2O5	460
+C1CC1c2nsc(n2)-c3c4CCCCc4sc3NC(=O)C5=C(C(O)=O)CCC5	3577
+Cc1noc(-c2c(sc3CCCc23)NC(=O)C=4CCCC=4C(=O)O)n1	3577
+CCCc1ccnc(C#N)c1	1303
+O(Cc1nc(ccc1)C#N)C2CCOC2	1304
+c1(N2CC(COc3ccon3)OC2=O)ccc(I)c(F)c1	6037
+C1CN(CCN1C)C2(CCC=COC2)CNCC3=Cc4c(cccc4)N(C)C3=O	6038
+C1CC(Nc2cccc(OCCOC(CC(=O)C)=O)c12)=O	1305
+C1CC1C(=O)N2CCC(C2)CNC(=O)CC(=O)C	3578
+C1CCCCC1N2CCN(CC2)C(=O)CC(C)=O	3579
+CC(C)(C)OC(C(C)(C)Sc1nc(CCN(CCCCCCC)C(CC(C)=O)=O)cs1)=O	3579
+C[Si](C)(C)CCOC(=O)CC(C)=O	1305
+c1cc(ccc1)CN(CC(C)(C)COC(CC(C)=O)=O)C	1305
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOC(CC(C)=O)=O	1305
+c1ccccc1C2(CCN(CC2)CCCOC(=O)CC(C)=O)c3ccccc3	1305
+c1ccccc1C2(CCN(CC2)CCNC(=O)CC(C)=O)c3ccccc3	3578
+c1ccccc1C2(CCN(CC2)CCOCCOC(=O)CC(C)=O)c3ccccc3	1305
+c1ccccc1COc2cc(ccc2)NC(=O)CC(=O)C	6039
+c1nn(c2c1C(CCO)CCC2)-c3cc(c(cc3)Cl)Cl	44
+n1cccnc1NCCCOc2cc3c(cc2)CC(c4c(C3)cccc4)CC(OCC)=O	6040
+C1(CC(OC(C)=O)=C(C(C1)=O)C(=O)C)C2CSCCC2	6041
+C1(C(CCCc2sc(C(=O)OC)cc2)C(C=CC(O)CCCC(O)C)C(O)C1)Cl	168
+CC(C)(C)[Si](C)(C)OC(CCCC(C=CC1C(CC(Cl)C1CCCc2ccc(C(OC)=O)s2)OC3CCCCO3)=O)C	1278
+CC1(C)CC(c2c(nn(-c3ccc4c(c(Br)cnc4N)c3)c2C1)C)=O	6042
+c1n(c2c(c(ncn2)Cl)n1)C3CC(C=C3)CO	6043
+NC=1CC(c2cc(C)ccc2F)CC(=O)C=1	3580
+C1(CC(CC(=O)C1=CN(C)C)c2ccc(cc2)Cl)=O	2509
+c1cc(ccc1Cl)C2Cc3c(C(C2)=O)cnc(N)n3	6044
+FC(F)(F)C(C)OCc1cc(Cl)cc(c1)-c2cc(nn2-c3ccc(cc3)F)NC(C4CC(NC4)=O)=O	142
+FC(F)(F)COCc1cccc(c1)-c2cc(NC(C3CC(NC3)=O)=O)nn2-c4ccc(cc4)F	142
+C(ON=C(C=1C(CC(CC=1OC(C)=O)C2CSCCC2)=O)C)c3sc(cc3)Cl	6045
+c1cc(ccc1COC(NCCCOc2ccc3c(CN(C)C(C(C3)CC(OC)=O)=O)c2)=O)[N+]([O-])=O	126
+C1(CC(OC)=O)C(=O)N(Cc2c(ccc(c2)O)C1)C	5
+C1(CC)Oc2c(OC1)ccc(C(=O)O)c2	872
+CC(C)(C)OC(CN1C(=O)C(C(c2ccccc2)Sc3ccccc13)NC(=O)c4[nH]c5c(cccc5)c4)=O	6046
+c1c(-c2ccc(C#N)c(F)c2)nc(nc1N3CC(CCC3C)C(NCc4ccccc4F)=O)N	9
+C1(CCC(N1C(CCl)=O)C(=O)N)C#C	83
+C1(C(=O)O)Cc2c3cc(OC)ccc3[nH]c2C1	518
+C1CCCC1NCC(N2C(C#C)CCC2C#N)=O	402
+C1CCCCC1NCC(N2C(C#C)CCC2C#N)=O	402
+CC(C)(NCC(=O)N1C(C#C)CCC1C#N)CNc2ncc(C#N)cc2	402
+C1(CCC(N1C(CCl)=O)C#N)C#C	143
+CC(C)(C)OC(N1CC(CO)CCC1C)=O	23
+n1ccnn1-c2c(C(=O)N3C(CCC(C3)CO)C)cccc2	30
+C1(c2c(cccc2)C(CC1)N3C(Nc4c3nc(nc4)-n5cnc6c5cc(F)cc6)=O)=O	3341
+C1(CCC(Nc2nc(ncc2[N+]([O-])=O)-n3cnc4c3cc(F)cc4)c5c1cccc5)=O	6047
+C1(CCC(Nc2nc(-n3cnc4c3cc(F)cc4)ncc2N)c5c1cccc5)=O	193
+c1cc(N2C(c3cc(F)cnc3)CCC2CO)nc4c(cnn14)C(=O)OCC	790
+CC(C)(C)C(=O)c1c2c(cc(OC)cc2)n(CC(=O)N3C(CCC3CCC)CCC)n1	10
+c1c(F)c(c(cc1N2CCOCC2)F)NC(CC3CCC=C3)=O	33
+c1c2CCCCC(Nc2ccc1)=O	6048
+c1(ccc(OCOC)cc1OCOC)C2CCCC(C(=O)O)C2	6049
+NC1CCCCC1c2cc(c(O)cc2)OC	157
+c1cc(ccc1CNC2C(C(=O)OC)CCCCCC2)F	42
+C1(CCCCCCC1C(OC)=O)N	167
+CC(C)C(C(N(C(C(C)C)CC(c1nc(cs1)C(OC)=O)O)CCC)=O)NC(=O)C2N(CCCC2)C	207
+FC(F)(F)c1cc(ccc1OCCCN(C(C2N(C)CCCC2)=O)C)-c3nc(C#N)c4ncn(C)c4c3	10
+CC1(C)OB(OC1(C)C)c2cn(CCC3CCCCN3C)nc2	338
+Cc1cc(cc(C)c1)-c2c(O)nc3c(cc([N+]([O-])=O)c(Cl)c3)c2OCCC4CCCCN4C	72
+c1cc(ccc1)COC(=O)N2CC(CO)CCCC2	66
+c1cc(ccc1C2(CCC2)C(N3CC(CO)CCCC3)=O)Cl	10
+C(C)OC(=O)N1CCC(CCC1)N=C=S	985
+C1COc2cc(N)ccc2N1CCC3CCCN3C	15
+C1(CCCN1C)CCN2c3ccc(N)cc3OCC2=O	0
+C1(COc2c(cccc2)O1)CN3CC(CCC3)C(=O)N	28
+c1cc(ccc1)COC(=O)N2CCCC(C(N)=O)C2	66
+Clc1ccc(c(Cl)c1)CCNc2cc(N3CC(C(=O)O)CCC3)nc(n2)OC	54
+C(C1CN(CCC1)c2cc(Cl)nc(N)n2)(=O)O	54
+c1cc(ccc1)COC(=O)N2CCCC(C(O)=O)C2	66
+c1cc(ccc1)CN2CCCC(C2)C(O)=O	48
+c1nc2c(nc(N3CCCC(C(OC)=O)C3)nc2s1)Nc4ccc(OC)c(c4)OC	117
+c12c(OC(CO1)CN3CC(Cc4c[nH]c5cc(F)ccc45)CCC3)c6c(nc(cc6)C)cc2	2510
+Clc1cc(N2CC(F)CCC2)c(cc1)[N+]([O-])=O	34
+O=S(=O)(c1c(ccc(C(=O)OC)c1)Br)N2CCCC(O)CC2	92
+c12c(cccc1)C(=O)N(C2=O)CCCCNC3CCCc4cccnc34	110
+O=S(=O)(Nc1ccc(cc1)CNC2c3ncccc3CCC2)c4ccccn4	42
+C1COCCN1CCn2c3c(cccc3)nc2CN(C)C4CCCc5cccnc45	3581
+c1cc(ccn1)Cn2c3c(nc2CN(C)C4c5ncccc5CCC4)cccc3	1947
+CCC1CNCCC1N	215
+c1c(C)cc(cc1CC(=O)N2C(CC2)(C)C(=O)OCC)C	478
+c1cc(ccc1)C(c2ccccc2)CN3CC(O)(CC3)C	123
+C1C2CCC(CC1O)N2c3nc(nc4scc(-c5ccccc5)c34)N6CC(CC6)C(=O)N	117
+C1CN(CCC1CN(C2CN(CC2)C)C)c3nc(N4CC(C(N)=O)CC4)nc5scc(c35)-c6ccccc6	117
+C1CC(CCN1c2ccc([N+](=O)[O-])c(OC)c2)N3CCC(F)C3	85
+c1cc(ccc1-n2ncc3CC4(CN(CCC4=Cc23)S(=O)(=O)c5ccc(cc5)N6CCC(F)C6)COCC7CC7)F	79
+Clc1c2c(nccc2)c(c(C(=O)C)c1)N3CC(CC3)F	1563
+c1cc(ccc1I)S(=O)(=O)N2CCC(F)C2	92
+c1(C)cc(Cl)nc(N2CC(CC2)F)c1[N+](=O)[O-]	43
+N1(C(=O)NC2CC(CC(C2)Nc3nc(ncc3F)Cl)C)CC(CC1)F	1132
+C1CNCCN1CCC2OCCc3ccccc23	1306
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4c(cc(cc4)NC(=O)C5CCOC5)C#N	1294
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2cccc(-c3nc(C4CCOC4)sc3-c5nc(ncc5)Cl)c2F	873
+C1(CCOC1)Oc2cccc(c2C(NO)=O)O	1133
+CC(C)(C)OC(=O)N1CCC(CC1)COc2c3c(OC4CCOC4)cccc3on2	6050
+c1(cc(Oc2cc3c(cc2)C(N(CO3)C)=O)cc(c1)OC4CCOC4)C(=O)Nc5ncc(C)nc5	46
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(cc(OC4CCOC4)c3)C(=O)OC	706
+C1(CCOC1)Oc2c3C(NOc3ccc2)=O	3582
+CC(C)(C)OC(NC1CCOc2cc(ccc12)C#N)=O	37
+C1CC(CCN1CCC2c3ccccc3OCC2)NC(C)=O	61
+C(CO)N(C)CCCN1c2ccc([N+]([O-])=O)cc2CCC1	15
+C1Cc2c(c3c(OCC3)nc2)C1=O	155
+c1cc(cc2C(O)CCc12)-c3cc(ccc3)F	74
+C(C1c2c(CC1)cc(cc2)F)#N	3583
+C(C)OC(N1CCc2c(ccc3CCC(OC)c23)CC1)=O	76
+c1c2CCC(Oc2c3ccccc3c1)C(=O)OCC	27
+c1cc([N+]([O-])=O)cc2C(C(CC(=O)O)CCc12)=O	77
+C1N(C(=O)Cc2cccs2)CCCC1C(=O)O	3
+CC1CNCC(C)C1NC	215
+C1C(C)OC(CN1CC(=O)NN)C	561
+c1ccccc1C(c2cc(c(N3CC(C)OC(C3)C)c(c2F)F)C=O)=O	39
+c1cc(ccc1)[Si](c2ccccc2)(OCc3c(N4CC(C)OC(C4)C)c(F)c(cc3)F)C(C)(C)C	328
+C1(CN(CC(C)O1)c2ccc(C(=O)O)c(C)c2)C	1
+C1(C)CN(CC(C)O1)c2cc(c(C(=O)Nc3cnc(Cl)c(-c4nc5ccccc5[nH]4)c3)cc2)C	487
+C1C(C)OC(CN1c2cnc(cc2)N)C	161
+O=C(C1CCCN(c2nc3c(n2Cc4c(F)cccc4Cl)C(N(C(=O)N3C)C)=O)C1)O	3
+C1CN(C(=O)OCC)CC(C)C1NCC	87
+CCOC(=O)N1CC(C)C(CC1)N	316
+C1CC1c2cccc(-c3nc4c(nc(N5CCCC(C(OCC)=O)C5)cc4)[nH]3)n2	3584
+C1(CN(c2nc(c(N)cc2)N)CCC1)C(OCC)=O	13
+CC(C)(C)OC(=O)N1CC(CO)NCC1C	6051
+C1(CN(CC(C)N1S(=O)(=O)c2cccc(c2)C#N)CC(=O)Nc3c(ccc(c3)C#N)C)C	224
+O=S(=O)(C)OCC1CNc2ccccc12	7
+c1cc(ccc1S(=O)(=O)OCC2(c3c4N(C(C=Cc4ncc3Cl)=O)C2)O)C	36
+c1ccccc1CN(CC(O)c2cccc(c2)[N+]([O-])=O)CCOCc3ccccc3	170
+C1CN(CCN1c2c3c(nc(cc3)C)ccc2)CCc4ccc5OCC(N(C)c5c4F)=O	53
+C1(COc2c(cccc2)O1)CN3CC(CCC3)CN	15
+FC(F)(F)c1c(Cn2nc(-c3ccc(cc3)F)c4c2ccc(C=C5SC(=O)N(CC(O)=O)C5=O)c4)ccc(Cl)c1	377
+Nc1cc(F)c2N(C(Cc2c1)=O)CCF	0
+C(=O)(N(C1Cc2cc([N+]([O-])=O)ccc2OC1)CCC)CC	1564
+C1(Cc2c(N1CCF)c(F)cc([N+]([O-])=O)c2)=O	31
+c1cc2NC(Cc2cc1Br)=O	38
+C1c2c(cccc2)N(C(=O)C)C1=O	1948
+c1c2NC(Cc2cc(C(CCC)=O)c1)=O	94
+c1c2NC(Cc2cc(c1)C(=O)C)=O	94
+c12ccccc1NC(C2=Cc3[nH]cc(C)c3C)=O	292
+O=S(=O)(Cl)c1cc2c(NC(=O)C2)cc1	240
+c12ccccc1NC(=O)C2=Cc3cc4c([nH]nn4)cc3	1495
+C(Nc1ccc2c(c1)COC2=C3C(Nc4ccccc34)=O)CCl	3585
+c1c2CC(Nc2ccc1C(c3cc(ccc3)[N+]([O-])=O)=O)=O	222
+c1cc(ccc1[N+](=O)[O-])C(c2cc3CC(Nc3cc2)=O)=O	222
+CN(C)C(=O)c1cc(c2nc(n(c2c1)C)C)OC3CCOc4c3ccc(F)c4	6052
+C1(N(C(=O)C(N)=CN1COC)CC(OCC)=O)=O	6053
+c1ccccc1CS(=O)(=O)NC2=CN(C(=O)N(C2=O)CC(=O)OCC)COC	6054
+O(C(=O)CCCCCCN1C(=O)CCCC1C=CC(O)CCCCC)C	1565
+N1(C2(CC(C)(N(C(CC)(C2C)C)C)CC)C(N(C)C1=O)=O)C	1949
+C1(N(C(=O)NC12C(C(CC)(N(C(C)(C2)CC)C)C)C)C)=O	113
+[nH]1c(nc2c1N(C(N(C2=O)CC)=O)CCCC)Cl	1950
+CN(C)C1CCN(C(=O)CN2C(=O)c3c(cccc3)N(CC(Nc4cc(c(cc4OC)OC)Cl)=O)C2=O)C1	10
+C1(N(C(N(c2c1nc(Cl)[nH]2)CCCCC)=O)CCCCC(=N)NO)=O	409
+c1cc(ccc1)-c2onc(n2)CCCCN3C(N(c4c([nH]c(Cl)n4)C3=O)CCCCC)=O	6055
+c1cnccc1-c2nnc(N3CCOCC3c4cc(on4)-c5cccc(Cl)c5)n2C	2511
+CC(C)(C)[Si](C)(C)OCC(N1C(c2c(c(ccc2)[N+]([O-])=O)C=C1)=O)C(=O)OC	19
+C1C(COC)N(C(=O)C2N(C(=O)CN3CCCC3=O)CCC2)CC1	21
+FC(F)(F)S(=O)(=O)Oc1cc(-c2cnccn2)nn1CC	6056
+C1(N(CCC1(O)C#Cc2cccc(-n3nc(C(=O)N)c4cc(C#N)ccc34)c2)C)=O	1134
+C1(N(CCC1(O)C#Cc2ccnc(-n3c4cccc(F)c4c(n3)C(=O)N)c2)C)=O	1134
+C12(c3c(cc(Br)cc3)OC1)C(N(CCCCC)c4ccccc24)=O	20
+C1(N(CCCCC(CO)O)C(C(=CN1C)C)=O)=O	1951
+CC(C)(C)C(OCC1CCN(CC1)CCCN2c3c(cc(c(F)c3)F)CCC2=O)=O	53
+c1cc(ccc1)C(CC)NC(=O)c2c3ccccc3nc(-c4ccccc4)c2OCCN5C(=O)c6ccccc6CC5	2430
+C1(N(CCc2c1cccc2)CCCl)=O	1307
+O=C1OCc2cc(CCN3CCN(CCc4ccc5nonc5c4)C(=O)C3)ccc12	1508
+c1cc(ccc1CCNC=2N(CCCC)C(=O)N(C(C=2)=O)Cc3c(F)cccc3)[N+]([O-])=O	6057
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O	2428
+C1(N(Cc2c(F)cccc2)C(C(N)=C(N)N1)=O)=O	721
+C1(N(c2c(Cl)cccc2)N=C(C1)C(=O)Cl)c3ccc(Br)c(F)c3	3586
+C1(N(N=C(C1)C(=O)O)c2c(Cl)cccc2)c3ccc(Br)c(F)c3	4
+C1(N(c2c(c(ccc2)C(=O)O)OC1)C)=O	1
+CC(C(c1cc2N(C(COc2cc1)=O)C)=O)c3cc(OC)ccc3Cl	1566
+CC(c1ccc(OC)cc1Cl)C(c2cc3N(C(COc3cc2)=O)C)=O	1566
+c1c(Nc2c3nccn3nc(-c4cc(CO)ccc4)c2)nc(cc1)N5CCCC5C	519
+C1(N(c2cccc(Nc3c4nccn4nc(-c5cncc(OC)c5)c3)n2)CCC1)C	2512
+C1(N(c2cccc(N)c2)C(CC1(CC)C)=O)=O	0
+c1(cc(N2C(CC(C)C2)C(NCC#N)=O)ccc1)Br	9
+C(c1ccc(C)c(C=2C(N(c3nc(SC)ncc3C=2)C)=O)c1)(=O)O	1
+c1cc(ccc1NC(NC=2C(N(c3cc(C)c(C)cc3C=2c4c(Cl)cccc4)C)=O)=O)Cl	6058
+c1cc(ccc1F)CNC2C3CC(C2C(OCC)=O)CC3	42
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(C3=O)CC(=O)OC	712
+C1(N2CCCC2c3n(-c4ccccc14)cnc3C#N)=O	6059
+C1(N2C(CCC2)c3n(-c4ccccc14)cnc3C=NO)=O	2513
+O=S(=O)(C)Nc1ccc2c(c1)C3=NC=C(C(OCC)=O)C(=O)N3C=C2C	80
+C1(N2C=C(c3ccc(N)cc3C2=NC=C1C(=O)OCC)C)=O	0
+C1(N2CCCC2c3n(cnc3CO)-c4ccccc14)=O	874
+C1(N2C(CCC2)c3n(-c4ccccc14)cnc3C=O)=O	614
+c1(F)c(Br)cc2N3C(c4c(cc(cc4)F)Oc2c1)C(NC(OC)=O)CCC3	15
+c1cc(ccc1)CNCCN2c3c(cc(C)c(Cl)c3)N=C4C(N=C(N=C24)O)=O	110
+c12c(ccc(c1)C=C3SC(=NC3=O)NCc4c(C)cccc4Cl)nc(NC)nc2OCC	3587
+C[Si](C)(C)CCOCN1C(C(C)=C(N(C1=O)C)Br)=O	6060
+FC(F)(F)c1cc(Oc2ccc(cc2)CSc3nc(c(cn3)C(=O)OCC)O)ccc1Cl	6061
+O(c1c(O)ncnc1)C	6062
+c1(cccc(C2(C)COCC(N2)=S)c1)Br	199
+C1(=O)NC(NC(=O)C12Cc3c(c(c(F)c(COC(=O)C)c3)F)N4C2C(OC(C)C4)C)=O	3588
+C1(=O)NC(NC(=O)C12Cc3c(N4C2C(C)OC(C)C4)c(F)c5c(c(no5)C(=O)OCC)c3)=O	3588
+C1(NC(NC(=O)C1=Cc2ccc(cc2)C=Cc3nc(N)nc(N)n3)=O)=O	6063
+C1C(Cc2cc(OC)ccc2C1)N(C)CCC#N	987
+C[Si](C)(C)C#CC1=CNC(NC1=O)=O	3589
+C1(=CN(C)C(NC1=O)=O)[N+]([O-])=O	6064
+FC(F)(F)c1cc(Oc2ccc(cc2)CCSc3ncc(c(O)n3)Cc4cn(C)nc4)ccc1Cl	6065
+O(C)C(OC)CCN1C(=O)NC(=O)C(=C1)c2c(F)nc(C)cc2	6066
+CN(C)C=CC(c1c2CCN3C(c2ccc1)=CC(=O)NCC3=O)=O	2409
+CC(C)(C)OC(=O)N1CC2C(C1CO)CC(C)C2	23
+n1c2cccc(C(=O)N)c2[nH]c1-c3sc(C4N(C)CCC4)cc3	113
+CC(C)(C)[Si](C)(C)OC1C(=O)NCC1	1952
+c1ccccc1[Si](c2ccccc2)(OCC3C(=O)NCCC3)C(C)(C)C	328
+c12c(C(NCC1)=O)c(c(cc2Cl)Br)Cl	38
+c1c(cc(I)c(C)c1)C2C=3C(CCC=3NC4=C2C(NN4C)=O)=O	6067
+C1(=O)C=CC(=O)N1CCCCN2C(NNC2=O)=O	6068
+C1(NNC(=O)N1CCCCN)=O	102
+CC(C)(C)OC(=O)NC(COc1cc(on1)C(OC)=O)C	6069
+CC(C)(C)OC(=O)C=Cc1cc2CC(C(OC)=O)C(=O)Nc2nc1	1953
+Clc1cc2NC(C(=O)Nc2cc1N=[N+]=[N-])=O	615
+Cc1cc2OCCNc2cc1Br	15
+c1c(cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2c1)CC(OCC)=O)Br	610
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(OCC)=O	610
+CC(C)(C)[Si](C)(C)OCC(CN1c2c(OCC1=O)ccc(c2)C)C	988
+C1CN(CCN1CCOc2cc3c(cc2)OCC(N3)=O)c4c5c(nc(cc5)C)ccc4	28
+C1(Nc2cc(-c3cc(nn3C)C)ccc2OC1)=O	2514
+Cc1nn(C)c(-c2cc3NC(=O)COc3cc2)c1Br	875
+C1(Nc2cc(CO)cnc2N3CCCC13)=O	382
+C1(Nc2cc(C(=O)O)cnc2N3CCCC13)=O	1
+C1CN(CCN1c2ncc(cc2)C(OCC)=O)Cc3cc4NC(=O)C5CCCN5c4nc3	1954
+C1(C(Nc2c3[nH]cnc3c(Cl)cc2N1)=O)=O	6070
+C(c1ccc2c(NC(=O)CO2)c1)C(=O)O	4
+C(C)N(CC)CCNC(=O)c1c([nH]c(C)c1)C=C2C(Nc3cccc(-c4c(cccc4)F)c23)=O	292
+C1(Nc2cccc(c2OC1)C(=O)O)=O	1
+C1(N(c2c(c(C(=O)OC)ccc2)OC1)C)=O	239
+C1(Nc2cccc(c2OC1)C(CCl)=O)=O	6071
+Cc1nc(C(N2CC3C(C2CNC(c4cccc5NC(COc45)=O)=O)C3)=O)c(s1)-c6cccc(c6)C	14
+c1nc(c2n1-c3c(c(C(C)C=C)ccc3)OC2)C(=O)OCC	2515
+[N-]=[N+]=NCC(c1cccc2NC(=O)COc12)=O	6072
+c1nc(c2n1-c3c(c(ccc3)CC=C)OC2)C(=O)OCC	2515
+C1CN(CCC1NC=2c3cc(ccc3N(C)C(=O)C=2)OC)C(OCC)=O	6073
+c1cccc2[nH]cc(CNC(C3N(C(=O)C(C)N4Cc5ccccc5C4=O)CC(O)C3)=O)c12	9
+C1(C2(C(CC1)C3C(c4c(cc(OC)cc4)CC3)CC2)CC)O	6074
+C1(O)CC(C(O)=O)N(C(=O)C(C)N2Cc3ccccc3C2=O)C1	4
+O=S(=O)(OCC1C(O)c2cc(cc(Cl)c2O1)Br)C	7
+CC(C)(C)OC(=O)Nc1cc(cc([N+](=O)[O-])c1)N2C(C=C(C)C2=O)=O	6075
+c1ccn(c1)-c2c(ccc(c2)Cl)CC	1567
+FC(F)(F)c1c(c2c3c(c1)NC(=O)C(N3C(P(OCC)(OCC)=O)CC2)=O)-n4cccc4	1567
+c1ccn(c1)-c2c(F)ccc([N+]([O-])=O)c2	6076
+c1ccn(c1)-c2c(ccc([N+]([O-])=O)c2)O	1567
+c1cccn1-c2cc([N+](=O)[O-])c(N)cc2Cl	1567
+c1cccn1-c2cc([N+]([O-])=O)cc(c2)[N+]([O-])=O	1567
+C1C(C(CN(c2oc(c(C)n2)C(=O)OCC)C1)OC)NC(c3nc(Cl)c(CC)[nH]3)=O	855
+C1(OC2CC(CC(C(NC(NC)=O)=O)c3ccc(c(c3)Cl)Cl)CC2)CCCCO1	3590
+C=1C=C(C=2N(C(C(=C(C)N=2)CCCl)=O)C=1)C	6077
+C(CCCCCCCCCO)COCc1occc1	168
+C1CC(CCC1CCC)C#Cc2c(c(c(F)c3OC(CCc23)CCCCC)F)O	121
+C1(Oc2c(c(I)c(O)c(F)c2F)CC1)CCCCC	241
+C(Br)c1cccc2OC(CC)(Oc12)C	29
+FC(F)(F)c1cc(C(c2c(scc2)N)=O)ccc1	3591
+c1cc(ccc1)C(=O)c2ccsc2N	3591
+C1(CCCCC1c2cc(c(O)cc2)OC)[N+](=O)[O-]	460
+C1CCc2cccnc2C(OC(C)=O)C1	174
+c1c2c(ccc1)C(=O)N(C2=O)C(C3=C(c4ccccn4)C(N5C(=CC=CC5=N3)C)=O)C	6078
+c12c(cc(c(-c3nnc(C)s3)n1)C(C)N)cccc2Cl	45
+Clc1cc2c(cc1)Oc3ccccc3CN2C(CN)=O	1955
+c1ccccc1COc2cc(-c3cn(c4c3c(N)ncn4)C5CC(C5)CN)ccc2	45
+C1(c2c(C(=O)N1CCCC#Cc3c(N4CCCC4)nc(Cl)nc3)cccc2)=O	2516
+c1ccc2C(=O)N(C(=O)c2c1)CCCC#Cc3c(nc(nc3)Nc4ccc(cc4)C#N)NCCC	2516
+c1cc(ccc1Nc2ncc(C#CCCCN3C(=O)c4ccccc4C3=O)c(n2)N5CCCC5)C#N	55
+c1cc(ccc1)C(C)(CCCCCN)CO	45
+C12C(C3(CCC(CC3CC1O)OCCN)C)CC(O)C4(C)C2CCC4C(C)CCC(OC)=O	45
+O=S(=O)(NC(C)C)CCN	45
+C1(c2c(C(=O)N1CCc3cc(C(=O)O)nn3C)cccc2)=O	6
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2c3c(cccc3)c(cc2)CN4C(c5c(C4=O)cccc5)=O	2517
+c1cc(c(N=[N+]=[N-])cc1)N	2505
+C(OC(C)=O)C(N1C(c2c(C=C1)c(c(C)cc2)[N+]([O-])=O)=O)C	152
+C1CC(c2c1c(N)c(N)cc2)=O	562
+CC(C)(C)OC(C(C1CCCC1)c2ccc(cc2)CN3Cc4c(cc(F)c(F)c4)C3=O)=O	6079
+C1(c2c(Oc3ncccc13)ccc(c2)C=NO)=O	135
+C1(c2c(Oc3ncccc13)ccc(C#N)c2)=O	1308
+CC(C)NCC(O)c1scc(C)c1C	122
+c12C3N(C(c4c(cccc4)-n1cnc2)=O)CC3	6080
+C(N1Cc2c(cccc2)C(OC)C1)CN	15
+N1C(C)(C(COCC1=N)F)c2c(F)ccc([N+]([O-])=O)c2	3592
+C1(c2cc(ccc2Oc3ncccc13)CBr)=O	29
+c1cc(ccc1-c2c(C#N)cccc2)CN3c4c(cc(CC)s4)C(=O)N(Cc5ccc(OC)cc5OC)C3=O	3593
+C1(c2cc(F)ccc2)=CN(C(=O)C=C1)CCOc3c4ccc(cc4ncc3)OC	260
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(C=4CC(c5cc(I)ccc5)ON=4)n3)n1)C	6081
+c1(cc(C2CC(OC(=O)C)CCC2N)ccc1OC)OC	157
+CC(C)(C)OC(=O)N1CCN(CC1)CC(O)c2ccc3C=Cc4c(cc(Cl)cn4)C(c3c2)=O	170
+C1(c2cc(ccc2C=Cc3ncc(Cl)cc13)C4CO4)=O	3594
+C1(c2cc(ccc2Oc3ncccc13)CC#N)=O	163
+C1(c2c(Oc3ncccc13)ccc(C=O)c2)=O	1483
+C1(c2cc(CC(=O)O)ccc2Oc3ncccc13)=O	508
+C1(c2cc3[nH]c(-c4c(nccc4Cl)O)nc3cc2C(N1C)=O)=O	104
+[nH]1c2cc3C(N(C)C(=O)c3cc2nc1-c4c(ccnc4O)NC(Cc5cc(ccc5F)F)C)=O	105
+n1cc(cnc1N2CCc3c4ccccc4[nH]c3C2c5ccc6c(OCO6)c5)Br	117
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(ccc3c2OCC3=O)O	1092
+C(Br)c1cccc2C(=O)COc12	29
+c1cccc2C(=O)N(C(=O)c12)C3CCC(CC3)O	1889
+c1cccc2C(=O)N(C(=O)c12)C(CC(C)=C)C(F)F	1889
+c12c(cccc1)C(=O)N(C2=O)C(CCCC)c3cc(OC)c(OC)cc3	1889
+c1ccc2C(=O)N(C(c2c1)=O)C3COC4C(COC34)N	18
+c1ccc2C(=O)N(C(=O)c2c1)CCC(CC(C(OCC)=O)=O)=O	1135
+c1cc(ccc1)COc2c(nccc2)Nc3nc(CCN4C(c5c(C4=O)cccc5)=O)cs3	1102
+c1c(OCCCN)c(Cl)cc(C2=NNC(CC2)=O)c1	45
+C(Oc1cc2ccc(O)nc2cc1)CCN	45
+c1cc(cc([N+]([O-])=O)c1OCCCN)F	45
+c1cc(ccc1N)OCCCN2C(c3ccccc3C2=O)=O	106
+c1cc(ccc1NS(=O)(=O)C)OCCCN	45
+c1cc(N2C(CCC2)c3nc(ccc3)OCCCN)nc4c(cnn14)C(=O)OCC	45
+C(Oc1cccc(CO)c1)CCN	45
+C1(c2ccccc2C(=O)N1CCc3ccc(cc3)CCOS(=O)(=O)C)=O	7
+CC(C)(Cn1c(CON)nc2c1c3c(nc2N)cccc3)O	670
+c1cccc2C(c3c(C=Cc12)ccc[n+]3[O-])=O	103
+c1(nc(-c2nc(C#N)ccc2)cs1)-c3ccc(c(OCC)c3)OCC	6082
+c1cccc2c1cc3C(N(C(N)=O)O)CCn23	3595
+c1cc(ccn1)NC(=O)c2[nH]nc(Nc3c4c(cco4)nc(N5C(CCC5)c6ccccn6)n3)c2	549
+COc1cccc(NC(c2cc(Nc3c4occc4nc(N5C(CCC5)c6ncccc6)n3)n[nH]2)=O)c1	549
+C1(CCCc2cccnc12)N(C)Cc3nc4c([nH]3)cccc4	113
+C1(N(C(SC)=NC)CCOC1)c2noc(-c3cc(Cl)ccc3)c2	1956
+C12(C(CCC1C3CCc4cc(ccc4C3C(OC)C2)OC5OCCCC5)=O)C	1136
+FC(F)=C1C2(C)C(CC1)C3C(c4c(CC3)cc(cc4)OC5OCCCC5)C(OC)C2	6083
+c12c(cccc1)C3(N=C=O)C(CCCC3)CO2	6084
+C12CC=CC1(CCC3C4(C)C(CCC23)=CC(=O)CC4)C	6085
+C1CC1(c2ccnc3c2cccc3)C(=O)N4CCC5(OC(=O)c6c5ccnc6F)C4	731
+C12(c3c(OC1)cc(-c4cnccc4)cc3)C(N(CCCCC)c5ccccc25)=O	305
+c1ccccc1CNC(=O)C2=C3C(=CN(CCCC)C2=O)CCCC3	6086
+c12c(cc(c([N+]([O-])=O)c1)C)OC(C3=C2CCNC3)=O	31
+c1cc(ccc1CN2CCC3=C(C2)C(Oc4cc(ccc34)OC)=O)OC	3596
+c1cc(ccn1)CN2CC3=C(CC2)c4c(cc(cc4)OC)OC3=O	3596
+c1cc(N)c(cc1)CSc2[nH]c3c(n2)CCCC3	6087
+c12c(ncnc1CCC2)O	3597
+CC(C)(C)OC(NC1CCN(c2c(F)cc(N3C(=O)OC(Cn4ccnn4)C3)cc2)C1)=O	6088
+c1ccccc1CN2CC3N(C(C2=O)CC3)C	3598
+C1C2C(CC3C1O3)C(=O)N(C2=O)CCCN4CCN(CC4)c5cc(F)ccc5OC6CCCC6	53
+C1CC(C(O)=O)C2(CC(O)C3C4(CCC(CC4CCC3C12)=O)C)C	6089
+CC(C)(C)OC(=O)N1CC(NC(=O)NC2C3C(OC2)C(CO3)Oc4c(nccc4)C)CCC1	1957
+C12C(C3(CCC(CC3CC1O)OCCNC(c4cc(ccc4)Br)=O)C)CC(O)C5(C)C2CCC5C(C)CCC(OC)=O	14
+c1cc(ccc1O)CC(NCCOC2CCC3(C(CC(O)C4C5CCC(C5(C)C(CC34)O)C(CCC(OC)=O)C)C2)C)=O	9
+C12C(C3(CCC(CC3CC1O)OCCNC(c4cc(ccc4)Br)=O)C)CC(O)C5(C)C2CCC5C(C)CCC(=O)O	4
+O=S(=O)(c1ccc(cc1)C)OCCOC2CC3CC(O)C4C5CCC(C5(C)C(CC4C3(CC2)C)O)C(CCC(OC)=O)C	36
+C1(c2c(C(=O)N1CCOC3CC4CC(O)C5C6CCC(C6(C)C(CC5C4(CC3)C)O)C(CCC(OC)=O)C)cccc2)=O	332
+C12C(CC(C1)COc3cc4c(c(ccn4)Oc5c(cc(cc5)[N+]([O-])=O)F)cc3OC)CN(C2)C(OCc6ccccc6)=O	262
+C1C2CNCC2CC1COc3cc4c(c(ccn4)Oc5c(cc(cc5)[N+]([O-])=O)F)cc3OC	62
+CC(C)(C)OC(=O)N(CC(N1C(C#N)CCC1)=O)C2CC3C(C2)CC(C3)OC(NC(C)C)=O	1568
+C12C(CCC1)c3cc(Cl)c(cc3NC2=O)CCO	59
+Clc1cccc(CNCCc2cc3NC(C4C(CCC4)c3cc2Cl)=O)c1	1130
+C1C2C(CN1C(CN3CCC(CC3)N4C(=O)Cc5cc(ccc45)C(=O)NC)=O)CCC2	224
+C12C(CNC1)C2(c3cccc(NS(=O)(=O)C)c3)C	1569
+c1cc(ccc1)CN2CC3C(C2)C3(C)c4cccc(NS(=O)(=O)C)c4	80
+C1C2C(CN1c3cccc(Nc4cc(-c5cc(C(=O)OC)ccc5)nn6ccnc46)n3)C2	3599
+C1C2C(CN1C(=O)CCc3[nH]c4ccc(F)cc4c3C)C2(c5cc(NS(=O)(=O)C)ccc5)C	10
+O1CCOC2C1CN(C2)CC=CC(=O)Nc3c(OCC)cc4c(c3)c(ncn4)Nc5cc(ccc5)C#C	3600
+c1cc(ccc1-c2ccc(cc2)N3N=CCCC3=O)N4CCC5CN(CC45)C	79
+c1cc(ccc1N2C3CN(C)CC3CC2)Br	79
+c1cc(ccc1)C(c2ccc(cc2)N3CCC4CN(C)CC34)=O	34
+C12C(c3c(NC1=S)cccc3)CCC2	199
+C1(=N)Nc2c(C3CCCC13)cccc2	2518
+C12C(c3c(cc(CCOC(=O)C)cc3)NC1=O)CCC2	152
+C12C(CCC1)c3cc(Cl)c(CCOC(=O)C)cc3NC2=O	196
+C12C3CN(C1)CC23C=O	1137
+C12C3CN(C1)CC23C(C#N)N	2519
+C12C3NCCC1(COCC2)c4c(ccc(c4)O)C3	5
+C1CC1C(N2C3Cc4c(cc(cc4)O)C5(CC2)C3CCOC5)=O	58
+C(Cl)CN1C2C=C(CC1CC2)c3cc4c(cccc4)cc3	1507
+CC(C)(C)OC(CC1(CC2c3c(C1CC2)cccc3)O)=O	3601
+C12CC(=O)CC1C(CC2)CCCCC(CC)OC(C)=O	27
+C12CC(=O)CC1C(CC2)CCCCC(CC)O	88
+Clc1cccc(Cl)c1-c2noc(C3CC3)c2COC4(CC5CCC(C4)C56OCCO6)C	6090
+FC(F)(F)C(=O)N1C2CC(CC1CC2)=C3c4c(cc(cc4)Br)Oc5ccccc35	520
+C12CCC(CC(C1)O)N2c3c4c(-c5ccccc5)csc4nc(n3)Cl	1570
+C12CC(CC(CCC1)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O)C(N)=O	83
+CC(C)(C)OC(NCCNC(=O)C1C2(C(CC1)C3C(C(O)C2)C4(C(CC3)CC(CC4)O)C)C)=O	9
+N(C(C1CCC2C1(CC(O)C3C2CCC4CC(CCC34C)O)C)=O)C	9
+C1CC1N2c3c(c(c(c(C=C)c3C(C(C(=O)O)=C2)=O)F)N4C5CC(N(C)C5)C4)F	34
+CC(C)c1c2c(ncnc2sc1)N3C4CC(C(C4)OCCO)C3	1570
+C12CC3(CC(C1)CC(C3)C2)CC(Nc4c5c(ccc4)nc(cc5)CCCNCCCO)=O	2
+C12CC3CC(C1)CC(C2)(C3)CNC(c4c(Cl)ccc(c4)CCCNCCCCO)=O	285
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(Cl)ccc(NCCN(C(OC(C)(C)C)=O)CCS(C)=O)c4	441
+C12CC3(CC(C1)CC(C3)C2)CNC(c4c(Cl)ccc(c4)CCCO)=O	21
+C12CC3(CC(C1)CC(C3)C2)CNC(c4c(ccc(c4)-c5c(N6CC(C6)C(=O)OC)nccc5)Cl)=O	89
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4cc(-c5ccc(nc5Cl)C)ccc4Cl	89
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(nc5ccc4Cl)N6CC(N)CCC6	286
+C12CC3CC(C1)CC(C2)(C3)CNC(c4cccn5c4cc(n5)CO)=O	194
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5cc(COCC(=O)O)nn5ccc4	3
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(N6CC(CCC6)NCCC(O)=O)nc5ccc4Cl	479
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(N6CC(CCC6)NCCC#N)nc5ccc4Cl	1287
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(nc5ccc4Cl)N6CCC(NCCc7nnn[nH]7)C6	3408
+C12CC3(CC(C1)CC(C3)C2)CNC(c4cc(ccc4Cl)-c5c(nc(C)cc5)C#N)=O	1958
+C12CC3(CC(C1)CC(C3)C2)CNC(c4n5c(ccc4)nc(c5)C(OCC)=O)=O	1959
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(Cl)ccc(CCCOS(=O)(=O)C)c4	7
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(Cl)ccc(NCCN(CCSC)C(OC(C)(C)C)=O)c4	23
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(ccc(c4)-c5ccc(C)nc5C(O)=O)Cl	876
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(Cl)ccc(c4)CCC(O)=O	4
+C12CC3(CC(C1)CC(C3)C2)CNC(c4n5cc(C(O)=O)nc5ccc4)=O	6
+C12CC3(CC(C1)CC(C3)C2)COC(NC(CNC(c4sc(CCC(=O)N=C5NCCCN5)cc4)=O)C(=O)OC(C)(C)C)=O	6091
+C12CC3(CC(C1)CC(C3)C2)COC(NC(CNC(c4sc(CCC(=O)N=C5NCCCN5)cc4)=O)C(=O)OCC(C)C)=O	27
+C12CC3(CC(C1)CC(C3)C2)COC(NC(CNC(=O)c4sc(CCC(=O)N=C5NCCCN5)cc4)C(O)=O)=O	32
+C1C2CC3CC1(CC(C2)C3)c4c(CCCOCOC)cc5ccc(-c6ccc(cc6)C(OC)=O)cc5c4	6092
+C12CC3(CC(C1)CC(C3)C2)c4c(CCCO)cc5ccc(-c6ccc(cc6)C(OC)=O)cc5c4	347
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C#Cc5nc(cnc5)C	6093
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C(=O)OC	14
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C=O	24
+C1C2CC3CC1CC(C2)(C3)OCCOCCOCCOCCOCCO	6094
+C12CC3CC(C1)CC(C2)(C3)c4ccc(c(C)c4)OC	6095
+C1C2CC3CC1CC(C2)(C3)C(Nc4ccc5nc(N)sc5c4)=O	33
+C12CC3CC(C1)CC(C2)(C3)CNC(c4cc(ncc4Cl)CCC=O)=O	24
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(Cl)ccc(OCCCS(=O)(=O)CCCO)c4	1547
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(Cl)cnc(CCCO)c4	587
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5cc(nn5ccc4)COCC(=O)OCC	337
+C1C2CC3CC1(CC(C2)C3)NCc4ccc(cc4)C=CC(=O)OC	42
+CC(C)(C)OC(N1C2(CN(C2)C(NC34CC5CC(CC(C5)C3)C4)=O)CC1)=O	384
+C12CC3CC(C1)CC(C2)(C3)NC(c4ccc(nc4SCCC)Cl)=O	1272
+C12CC3CC(C1)CC(C2)(C3)NC(c4ccc(nc4SCCC)N5CCCC(CC(O)=O)C5)=O	4
+C1C2CC3CC1CC(C2)(C3)OCCOCCOCCOCCOCCN=[N+]=[N-]	133
+C12CC3CC(C1)CC(C2)(C3)c4cc(-c5cc(C=C6C(N=C(N7CCSCC7)S6)=O)ccc5)cc(F)c4O	3602
+C12CC3CC(C1)CC(C2)(C3)c4cc(c(OCC(NCCN(C)C)=O)cc4)C	9
+C1C2CC3CC1(CC(C2)C3)c4c(OCOC)c(C(=O)c5ccccc5)cc(-c6cccc(C=O)c6)c4	11
+C1C2CC3CC1(CC(C2)C3)c4ccc(c(C)c4)O	5
+C12CC3CC(C1)CC(C2)(C3)c4cc(C)c(cc4)OCC(=O)O	3
+C12CC=CC1(CCC3C4(C(=CCC23)C=C(OC)CC4)C)C	6096
+C12CCC(C1(CCC3C4C(=CC(CC4)O)CCC23)C)=C	6097
+c1ccccc1C(=O)C2CC3CCC(C2)S3	6098
+c1ccccc1-c2nnc(N3CC4CCC(C3)N4C)cc2	212
+CN(C)Cc1nc(Cl)nc(N2C3CCC2COC3)c1	1309
+c1cc(ccc1)COc2ccc3CC4CCC(Cc3c2)C4=O	22
+c1c(c(-c2n(c3c(c(N4CC5N(CC4)C(=O)CC5)nc(n3)C)n2)CCO)ccc1)Cl	1310
+C12CCC(C1(CCC3C4C(=CC(CC4)=O)CCC23)C)=C	6099
+CC(C)(C)OC(N1Cc2n(nc(C(=O)N3C4CCCC3CC(C4)C(OCC)=O)c2)CC1)=O	147
+CC(C)(C)OC(Nc1cc(ccc1C=CC(=O)N2C3CCCC2CN(C3)Cc4ccc(cc4)F)Cl)=O	404
+c1ccccc1COC(N2CCC34c5cc(ccc5CC2C3CCCC4)O)=O	66
+CC(C)(C)OC(=O)N1C(C(=O)O)CC2CCCCC12	663
+C1CC2CN(CC1C2NC)Cc3ccccc3	87
+C1C2CCC(CN1c3nc(nc(c3)Cl)-c4ccc(cc4)[N+](=O)[O-])O2	2520
+c1cc(ccc1S(=O)(=O)NCCN2CC3CN(CC(C2)O3)CCc4noc5c4cccc5)C#N	123
+C1N2CCOCC2CNC1	15
+Clc1ccc2c(cnnc2N3CC4COC(=O)N4CC3)c1	212
+c1cc(ccc1[N+](=O)[O-])-c2nc(NC(C)C)cc(N3C4COCC3CC4)n2	40
+C1C2C[Se]CC(CN1CCc3ccccc3)C2	1571
+CC(C)(C)[Si](C)(C)OCC1NCC2COCCN2C1	19
+CC(C)(C)OC(=O)N1CCOC2C1CCN(c3cc(cc(c3Cl)N)C#N)C2	23
+C1COCCN1c2c3C4CCC(c3c5n(c(nn5)C)n2)C4	212
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCOCC(OCC)=O	53
+CC(C)(C)OC(N1CC=C(c2cc3c(OCC4=NNC(=O)C(C)N34)cc2-c5ccccc5F)CC1)=O	563
+C1=2COc3cc(c(cc3N1C(C)C(NN=2)=O)Br)-c4ccccc4F	38
+c1cc(ccc1C)S(=O)(=O)OCCN2C(N(N3C4=C(N=CN(N)C4=NC23)c5ccco5)C)=O	36
+C1CC1C=2Cc3c(Cl)cccc3C=2	6100
+Cc1c(nc(cc1)COC(C)=O)C#N	6101
+c12N(C=C(C(=O)OCC)C(=O)c1cc(c(N3CCC(N)C3)c2F)F)C(CCl)C	34
+c1ccccc1COC2=COC(=CC2=O)CN=[N+]=[N-]	3603
+N#Cc1cc(F)c(cc1F)C2=CCN(CC2)C	1572
+n1c2c(ccc(Nc3cc(C=4CCN(C)CC=4)ncn3)c2)ccc1	1960
+C1CNCCC1c2cc3c(cc2OC)nnc(c3Nc4c(cc(cc4)C)F)C(N)=O	191
+C1CC(CCO1)c2c(nccc2)F	671
+C1COCCC1c2ccnc(F)c2	191
+n1(C)ncc(C=2NC(n3c(ncc3)C=2)=O)c1	6102
+c1cc(ccc1)Oc2cc(C)c([N+](=O)[O-])cc2C=3C=CC(=O)N(C)C=3	46
+C1CC(CCN1)c2cccc(c2F)F	191
+c1(C)cc(cc(C)n1)Oc2c(cc(C3=C(C(N(CCCC)C=C3)=O)C#N)cc2)F	6103
+c1(nc(ccc1C)C#N)COC(C)=O	6104
+C1=CC(Br)=CC(N1CC(CO)C)=O	95
+C1=CC(Br)=CC(N1CC(COC)C)=O	76
+c1cc(ccc1C2=CC(N(C=C2)CC(COC)C)=O)C(C)N3CCC(c4ccccc4)(OC3=O)CC(C)(C)O	6105
+c1cc(ccc1)C2CCN(CC2)C3=CC(=O)N(C=C3)CCCC	6106
+CC1(C)C(C)(C)OB(O1)C=2C=CN(CCO)C(C=2)=O	6107
+FC(F)(F)C(O)(C(C)c1c(Cl)c(Cl)c(OC)cc1)C=2C=CC(N(C)C=2)=O	6108
+C(C)N(CC)C(C)CC1(C=CCC=C1)c2ccccc2	15
+c1cc(ccc1C2CC(CC2)=O)Br	6109
+Cc1c2ccc(N3CC(OC3=O)Cn4nncc4)cc2on1	1961
+[nH]1c(C(NC2CCN(CC2n3nncc3)c4sc(C(OC)=O)cn4)=O)c(Cl)c(c1C)Cl	1961
+c1cc(ccc1C=2CC(Cn3nncc3)ON=2)Br	1961
+c1cc(ccc1I)N2C(=O)OC(Cn3ccnn3)C2	1961
+FC(F)(F)Oc1ccc(cc1)N2C(C3(CCN(CC3)C=4C(N(CCC)C=CC=4)=O)CC2)=O	6110
+n1cc(C=2C(N(C=CC=2)CCCCCl)=O)ccc1F	6111
+O(C(=O)C)CC=1N=C2C=CC=C(C)N2C(C=1Br)=O	3558
+OC(C=1N=C2C=CC=C(C)N2C(C=1Br)=O)C	3604
+C1=CC=C(C)N2C(C(Br)=C(N=C12)C=O)=O	3605
+c1(cc(F)ccc1)C=2C(N3C(=NC=2CO)C=CC=C3C)=O	1100
+C1=CC=C(C)N2C(C(Br)=C(CCl)N=C12)=O	2521
+O=CC1=CC=C([Se]1)c2c(c(F)c(cc2)OCC)F	3606
+C1=CCC(C1)(C(=O)OC)c2cc(O)cc(F)c2	5
+C1=CC(C=CC1)(c2ccccc2)CCOS(=O)(=O)C	7
+C1CCCC2(CC1)CCC(C2)CO	460
+C1C=CCN1C(C2CCCN(c3ccc4c([nH]c(-c5nc(ccc5)C6CC6)n4)n3)C2)=O	6112
+c1(cc(cc(F)c1)C=2C(=O)N3C(SC=C3)=NC=2C)F	6113
+C1=CSC2=NC(C)=C(I)C(N12)=O	6114
+c1c2c(c(c(F)c1)F)OCCC2	374
+c1cc2CCCOc2cc1F	374
+CC1(C)C(N(c2cc(CNCCN3C(=O)c4cc(oc4C=C3)C)ccc2N(CC)C1=O)C)=O	42
+CC(C)(C)OC(=O)NC1CC(=C)CC1C(O)=O	37
+Cc1c(COc2n(C)nc(C(=O)OC)c2)c(no1)-c3ncccc3	6115
+Clc1n2c(ccn2)nc(c1)C(=O)OC	6116
+c1(c(NC2=C(C(CCC2)=O)C)cc([N+]([O-])=O)cc1)Cl	6117
+C1(C(CC1)=NO)c2ccccc2Cl	350
+Nc1cc2CC(CCCc2cc1)=O	0
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C3=CCCCC3)C4CC(=O)N(C(C4)=O)C	616
+C1C(=O)N(C(CC1c2cc(c(cc2)N)C=3CCCCC=3)=O)C	989
+C1C(=O)N(C(CC1c2ccc(N)c(c2)Br)=O)C	38
+C1CN(CCC12CCNC(C2)=O)Cc3ccccc3	3598
+CC1(C)CCC(c2cc(ccc2N)C3CC(=O)NC(C3)=O)=CC1	989
+C1C(=O)NC(CC1c2cc(c(cc2)N)Br)=O	38
+CC(C)CC(CP(CN1C(CCCC1=O)=O)(=O)OCC)C(NC(CC(C)C)C(NC)=O)=O	6118
+C1N(CCc2c1sc(N)n2)C(=O)C	2522
+c1cc(ccc1F)C=2C(=O)CCC=2OCC	6119
+Clc1cc(cc(Cl)c1)COC(N2CCC(CC2)CCN(C)C(C=3CC(=O)NN=3)=O)=O	6120
+C1(N(CC(=O)N2CCCC2C(=O)N3C(C(=O)OC)CCC3)CCC1)=O	478
+N1(c2ccc(C)c(c2C)COc3cccc4ccc(C)nc34)C(CO)CCC1	21
+c1cnc(Cl)c(CNC(C2c3cnn(C)c3CCC2)=O)n1	9
+C12=C(CCNC1)c3c(cc(OC)cc3)OC2=O	3607
+c1(cc(NC(N2Cc3c(CC2)nc(nc3O)-c4ccc5OCOc5c4)=O)ccc1)CC	6121
+C1(CCN(CC1CC)C(=O)OCC)N	316
+C1C(C(CN(c2oc(C(=O)O)c(C)n2)C1)OC)NC(c3nc(Cl)c(CC)[nH]3)=O	6
+O=S(=O)(N(c1ccncn1)Cc2ccc(cc2OC)OC)c3ccc(c(c3F)F)OC4CCCC4c5ccnn5C	57
+c1(cc(ccc1F)CNC2C(CCC2)C(OC)=O)C	42
+c1c(C(C2CC2C(OC)=O)=O)cc(c3OCCCc13)Cl	94
+C1C(C(=O)O)N(C(=O)CN2CCCC2=O)CC1	4
+CC(C)(C)OC(=O)NC1C(N2C(C(=O)OC)CCCC2SCC1)=O	1245
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	2523
+C1C(C)C(C(CN1C(OCC)=O)C)N	316
+C1(CN(CC(C)C1NC)C(OCC)=O)C	87
+C1CN(C(=O)OC)CC(C)C1Nc2c([N+]([O-])=O)cc(Cl)cc2	205
+C1C(NC(=O)c2c(c(Cl)c([nH]2)C)C#N)C(C)CN(C1)C(=O)OC	81
+Fc1cc(cc(F)c1OCC#C)C(NC2C(CCC2)C)=O	93
+C1C(C)CC(CC1CC(=O)OCC)C	774
+CC1CC(CC(C)C1)CC(O)=O	3
+N(C(C)=O)C1C(=O)NC(C(NC(CC(C)CCCCCCC1)C(O)CC(C)C(NCCCC)=O)=O)C	952
+CC1CN(CC(C)N1Cc2ccccc2)c3cc4c(C(=O)N(C)C)coc4cc3	79
+C1(CNCC(C)N1S(=O)(=O)c2cccc(C#N)c2)C	25
+c1cc(ccc1Nc2ncn(-c3ccnc(N4CC(C)N(C(C4)C)C(=O)C)c3)n2)N	1497
+C1(COCC(C)N1CCNC(C2CCCCN2c3nc4c(cccc4)o3)=O)C	9
+CC(C)(C)c1onc(c1)NC(NC2CCC(c3c2cccc3)Oc4ccc5nnc(N6CCCCC6C)n5c4)=O	1962
+C1C(C)NC(CN1c2ccc(c(N)c2)OC)C	0
+O=S(=O)(c1ccc(Br)cc1Cl)Nc2c(OC)ccc(N3CC(C)NC(C3)C)c2	69
+C1(CN(CC(C)N1C)c2ccc3occ(c3c2)C(=O)N(C)C)C	113
+CC1CC(CC(C)O1)(c2nc(COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC)cs2)O	1963
+c1cc(ccc1S(=O)(=O)n2c3cc(cc(c3cn2)C(=O)NNC(=O)CN4CC(C)OC(C4)C)Br)C	2524
+CC1CN(CC(C)O1)CCNC(=O)Nc2nc3c(cc(cc3)SC#N)s2	238
+CC1(C)C(C)(C)OB(O1)c2cc(C=O)c(c(c2F)F)N3CC(C)OC(C)C3	17
+C[Si](C)(C)C#Cc1cc(c(N2CC(C)OC(C2)C)c(c1F)F)C=O	263
+C1C(C)OC(CN1c2ncc(cc2)C=C(F)c3nn(Cc4ccc(nc4)F)c(C)c3)C	6122
+C1(C)CN(CC(C)O1)c2ccc(Nc3nc4N(C(=O)C(Br)=C(C)c4cn3)C5CCCC5)nc2	3608
+C1C(C)OC(CN1c2ncc(cc2)C=C(F)c3nn(Cc4cnc(cc4)NC)c(C)c3)C	182
+c1cc(ccc1C)CCN(C)CCCCCC2C3C4C(C)(CC(C3c5ccc(O)cc5C2)F)C(CC4)O	28
+ClC(=NO)C1CCC2CC2C1	1964
+N1(Cc2cc(C(OCC)=O)sc2CC1)C(OCC)=O	3609
+C1C(C=NO)CCC2CC12	410
+c1(cccc(C2CN(C(C2)=O)c3cccc(C(=O)N)c3)c1)Oc4ccccc4C#N	472
+C1C(CC(N)=O)CC(C)CC1	83
+C1C(CC(NCC(N)=O)=O)CC(C)CC1	207
+C1CC(CCC1(c2cccnc2)C#N)=O	1965
+N1(C(CC(SC(=O)C)C1)C(=O)N)C	6123
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3cc4c(ncnc4cc3)NC5CCNC(C5)=O	40
+C1C(c2cccnc2)CC(O)C1	59
+C1C(CC1=O)c2nc(c3c(Cl)nccn23)I	6124
+c1cc(ccc1C2(CC(C2)=O)CC(OCC)=O)O	86
+C1C(CC1OS(=O)(=O)C)(C#N)c2ccccn2	7
+C1CCC1(C(=O)C)c2ccc3ccccc3c2	3610
+C1C(CC1)(C(=O)N2CCC(Nc3cc(c4c(ccc(c4)O)n3)C)C2)c5ccc(cc5)Cl	5
+C1CN(CCO1)c2nc(Nc3ccc(cc3)C4(CCC4)C(OC)=O)nc5c2CCC5	55
+c1cc(ccc1Nc2nc(Cl)nc3CCCc23)C4(CCC4)C(OC)=O	73
+C1C(CC1)(C(O)CN2CCCCC2)c3ccccc3	100
+C1CCC1(C)C(Nc2c(cnc(n2)Cl)F)CC(=O)OC	40
+FC(F)(F)Oc1ccc(cc1)C#CCC2(CCC2)C(=O)OCC	121
+CC(C)(C)OC(=O)N1CC(C(=O)CC1)C(=O)C2(CCC2)C	6125
+C1C(CC1)(c2c(cc(cc2)Cl)OC)C=3c4cc(O)ccc4CCN=3	16
+O=S(=O)(CCC)NCCOc1cc2C(C3(CCC3)c4nc(Cl)ccc4)=NCCc2cc1	111
+C1C(CC1)(CC(N)=S)COCc2ccccc2	3378
+c1cc(ccc1)-c2csc(CC3(CCC3)COCc4ccccc4)n2	963
+c1cc(ccc1)-c2nc(sc2)CC3(CCC3)COC(=O)NC(C(O)C(NC(c4ccccc4)C)=O)CCCC	6126
+C1C(CC1)(F)c2ccc(C)[n+]([O-])c2Cl	103
+C1C(CC1)(O)c2sc(cn2)-c3cc(cc(c3)Nc4nc(-c5cnn(c5)CC(C)(C)O)ccn4)C	55
+C1C(CC1)(F)c2ccc(nc2Cl)C	6127
+CC(C)(C)OC(NCCOc1cc2C(C3(CCC3)c4nc(Cl)ccc4)=NCCc2cc1)=O	8
+C1CCC1(c2ncc(s2)Br)O	617
+C1CCC1=CC(Nc2cc(F)ccc2)=O	1966
+C1CCC1Oc2c3CCC(N(c3ccc2Br)C(C4CC4)=O)C	521
+CC(C)(C)OC(NC(C)COC1CCN(CC1)c2nc3c(cc(OC4CCC4)cc3)o2)=O	521
+C1CCC1n2c3cc(ccc3c(C#N)c2)OC	6128
+C1C(CC1)c2[nH]c3cnc(cc3c2)Cl	6129
+C1CCC1c2cc3c(nccc3)[nH]2	6130
+c1cc(ccc1-c2csc(NC(C3CCC3)=O)n2)C(C)C	290
+C1C(CC1)C(N2CC(Nc3c(cnc(-c4c[nH]c5ncc(cc45)Cl)n3)F)CCC2)=O	58
+C1C(CC1)C(=O)N2CC(c3c4cccc5CCCn(c3)c45)C(c6c7c(cccc7)[nH]c6)C2	58
+c1cc(ccc1C(=O)C2CCC2)C	94
+C1C(CC1)C(NNC(c2ccc(cc2)C3(CCN(CC3)Cc4ccccc4)c5cc(OC)ccc5)=O)=O	1086
+c1cc(ccc1NC(C=2C(=O)N(c3ccccc3)N(C=2C)C)=O)Oc4cc(ncc4)NC(C5CCC5)=O	195
+C1C(CC1)C(N(CCCNc2c(cnc(Cl)n2)Br)C)=O	58
+C1CC(CCN1Cc2ccccc2)(c3cccc(c3)OC)c4ccc(cc4)-c5oc(nn5)C6CCC6	877
+c1cc(ccc1COC2=CC(N(C=C2)c3ccc4c(c3)n(c(C5CCC5)n4)C)=O)Cl	953
+C1C(CC1)c2c(nnc(Cl)c2)Cl	6131
+C1CCC1C(c2c(c(ccc2)C(C)C)O)C	564
+c1cc(ccc1)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN3Cc4ccccc4C(C5CCC5)(C(O)C3)O	61
+C1CN(CCN1CC2CCC2)c3c(cc(N4CC(C)OC(C)C4)cc3)C5CCC(C)(C)CC5	28
+CC(C)(C)OC(=O)N1CCC(CC1)(COCc2ccccc2)COCC3CCC3	176
+FC(F)(F)COc1cc(ccc1[N+]([O-])=O)C(C(=O)OC)CC2CCC2	3611
+C1C(CC1)CN2C3=C(C=C(c4cc(ccc4)Cl)C2=O)CN(S(=O)(=O)C)CC3	990
+C1C(CC1)N2C(=O)Cc3cc(NCC(O)C(OC)=O)ccc23	1967
+C1C(CC1)N2C(Cc3cc(ccc23)N)=O	0
+CC(C)(C)OC(N1CCC(CC1)c2nc3CCN(C4CCC4)CCc3s2)=O	6132
+C1CCC1N2CCc3sc(-c4ccc(cc4)Br)nc3CC2	6133
+C1C(CC1)N2CCC3(CCN(CC3)c4nnc(SC)cc4)CC2	1929
+c1cc(ccc1)COC(N2CC(C2)C(=O)N3CCCN(C4CCC4)CC3)=O	10
+C1C(CC1)N2CCc3cc(Nc4ccc(N5C(=O)CCC5)cn4)ccc3CC2	201
+C1C(CC1)N2CCc3cc(NC(=O)c4ncc(Br)cc4)ccc3CC2	187
+C1C(CC1)N2CCc3c(cc(cc3)Oc4ccc(nc4)O)CC2	104
+C1C(CC1)N2CCc3cc(ccc3CC2)OCCCC(=O)OCC	8
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4ncc(nc4)Cl	842
+C1C(CC1)N2CCc3ccc(OCc4c(F)cc(F)cc4)cc3CC2	22
+C1C(CC1)N2CCc3c(CC2)cc(cc3)Oc4cnc(cc4)OC	706
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4cnc(cc4)C#N	6134
+C1C(CC1)N2CCc3c(cc(cc3)Oc4cnc(nc4)C#N)CC2	6135
+C1C(CC1)N2CCc3c(ccc(c3)Oc4c(N5C(=O)CCC5)nccn4)CC2	842
+C1C(CC1)N2CCc3nc(C4CCN(CC4)C(=O)N5CCCC5)sc3CC2	776
+C1C(CC1)N2CCc3c(CC2)ccc(O)c3	16
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4ccc(cc4F)N5CCN(C)C5=O	6136
+c1nc(ncc1C(NCc2cc3c(cc2)CCN(C4CCC4)CC3)=O)N5CC(C5)OC	484
+C1C(CC1)N2CCc3cc(NC(=O)c4ccc(-c5cnccn5)cn4)ccc3CC2	3211
+C1C(CC1)N2CCc3cc(OCCCC(n4cncc4)=O)ccc3CC2	3612
+C1C(CC1)N2CCc3cc(OCCCC(=O)O)ccc3CC2	3
+C1C(CC1)N2CCc3c(CC2)cc(cc3)N	0
+C1C(CC1)N2CCc3c(CC2)cc(Oc4ncc(nc4)N5CCCC5=O)cc3	3613
+C1CCC1N(c2cccc(c2)F)S(=O)(=O)c3ccc(cc3)F	416
+CC(C)(C)OC(CCC(C(=O)N1CCN(CC1)C(=O)OC2CCC2)NC(OCc3ccccc3)=O)=O	10
+CC(C)(C)OC(N1CC(C1)N2CCN(CC2)C(CNc3cc(c(cc3OC)Cl)C4CCC4)=O)=O	6137
+C1CCC1c2[nH]c3c(c(cc[n+]3[O-])Cl)c2	6138
+C1C(CC1)c2cc3cc(ncc3[nH]2)N	664
+C1CCC1c2cc(c(cc2-c3cc(CC)n[nH]3)C(O)=O)C	1
+C1C(CC1)c2c(C(=O)CC(CC)=O)cc(c(C)c2)C(=O)OC	6139
+C1C(CC1)c2c(-c3cc(CC)[nH]n3)cc(c(c2)C)C(=O)OC	6140
+c1cc(ccc1O)C=NNc2nnc(Cl)c(C3CCC3)c2	878
+C1CCC1c2cc(Br)cc(c2OC)C=O	297
+C1C(CC1)c2c(Cl)nnc(c2)NN	599
+C1C(CC1)c2cc3n(nc2Cl)c(nn3)-c4ccccc4F	1968
+C1C(CC1)c2cc3n(nc2Cl)c(nn3)-c4ccccc4	1968
+c1cc(ccc1C2(CCN(CC2)C(=O)c3cc(C(OC)=O)c(C4CCC4)cc3CC)F)C#N	30
+CC(C)(CNc1nn2c(cc1C3CCC3)nnc2-c4ccccc4)CN(C)C	232
+C1C(CC1)c2cc3nnc(-c4ccccc4)n3nc2N	1969
+C1CCC1c2c(NCc3ncn(C)n3)nn4c(nnc4c2)-c5ccccc5	232
+C1CCC1c2c(c(F)c(cc2)-c3cc4OCCNc4nc3)O	5
+C1C(CC1)c2c(O)c(cc(c2)Br)C=O	38
+c1cc(ccc1)Oc2ccc(cc2)-c3c4c(N)ncnc4n(n3)C5CC6(C5)CN(C(=O)OCc7ccccc7)CCC6	3614
+C1C2(CO1)CC(C2)=CC#N	1573
+O=S1(=O)CC2(CC(C2)n3c(nc4c3ccc(Cl)c4)CCl)C1	3615
+C[Si](C)(C)CCOCn1c2ncnc(-c3cn(C4(CC(C4)C(OC)=O)CC#N)nc3)c2cc1	2525
+c1cc(ccc1OCc2cc3c(-c4ccc(OCCOCC)cc4C)csc3cc2)C5(CC(C5)=O)CC(O)=O	3
+c1cc(ccc1OCc2cc3c(cc2)scc3-c4c(cc(cc4)C5=CCS(=O)(=O)CC5)C)C6(CC(C6)=O)CC(O)=O	3
+C1C(CC1C(=O)OC)=O	167
+C1C(CC1=O)C(N(OC)C)=O	164
+C1C(CC1c2nc(no2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)=O	859
+C1C(CC1O)C(=O)N(OC)C	100
+FC(F)(F)c1c(Cl)cc(c(NC(CCC2CC(C2)=O)=O)c1)N	1294
+C1C(CC1=O)CCC(=O)O	3
+C1CN(CCC1)C2(CC(C2)COCc3ccccc3)C#N	735
+C1C(CC1c2n3c(c(Cl)ncc3)c(n2)I)N4CCN(CC4)C	85
+C1CN(CCN1C2CC(C2)c3n4c(c(Cl)ncc4)c(n3)I)C(=O)C	85
+C1C(CC1CSCCC)(CC2CC2)C#N	2455
+C1C(CC1n2c3c(c(N)ncn3)c(-c4cccc(c4)OCc5ccccc5)c2)CN(C)C	15
+CC1(C)CC(C1)C(=O)N	83
+CC(C)(C)OC(Nc1cc(-c2noc(C3CC(F)(F)C3)n2)ccc1C)=O	1289
+C1C(CC1COC(F)F)NC(N2Cc3n(nc(c3C(=O)N)-c4cccc(c4)Cl)CC2)=O	6141
+C1C(CC1=CC#N)C(=O)OC	1573
+C1C(CC1C(OC)=O)(C)O	736
+c1cc(ccc1)COC2CC(C2)c3[nH]c4c(cccc4)n3	791
+C1C(CC1(C)F)C(=O)OC	1138
+C1C(CC1N=[N+]=[N-])C(=O)O	4
+C1C(CC1C2Oc3ccccc3C(N)C2)C(=O)OCC	2526
+C1C(CC1C2CC(=NOC)c3ccccc3O2)C(=O)OCC	189
+C1C(CC1C2CC(c3ccccc3O2)=O)C(=O)OCC	6142
+C1C(CC1C(=O)O)CC#N	4
+C1CC2(CCC1O2)COc3c(F)ccc(c3)-c4cn(C5CC(C5)CN6CCS(CC6)=O)c7c4c(N)ncn7	1311
+C1CN(CCS1=O)CC2CC(C2)n3cc(-c4cccc(OCC5OCCC5)c4)c6c(N)ncnc36	1311
+C1C(CC1C=O)C(OCC)=O	24
+O=S(=O)(OCC1CC(C1)O)c2ccc(cc2)C	36
+O=S(=O)(CCC)CC1CC(C1)(C#N)CC2CC2	991
+C1C(CC1CO)N2C=C(C(=N)NC2=O)F	6143
+C1C(CC1OCC(C)(C)O)N2C(=O)C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)=C(CCC)n6ncnc26	618
+C1C(CC1N)(c2ncccc2)C#N	18
+c1ccccc1[Si](c2ccccc2)(OC3CC(C3)C(N(OC)C)=O)C(C)(C)C	328
+c1ccccc1COC(=O)C2CC(C2)Oc3c(C)cc(cc3C)-c4nc5c(nc(Oc6c(cccc6)F)nc5)o4	20
+C1C(CC1COc2ccc(c(C)n2)Br)=O	86
+C1C(CC1(c2ccc(cc2)O)CC(OCC)=O)O	59
+c1cc(ccc1Br)OCCC2CC(C2)OC3OCCCC3	20
+C1C(CC1N=[N+]=[N-])(c2ncccc2)C#N	298
+C1CN(CCN1C2CC(C2)c3n4ccnc(N)c4c(n3)I)C	522
+C1C(CC1(CO)O)c2nc(c3c(Cl)nccn23)I	3616
+O1CCOC12CC(C2)c3onc(-c4cc(NC(=O)c5n6ccccc6nc5)c(cc4)C)n3	381
+C1C(CC1CN2CCS(CC2)=O)n3cc(c4c3ncnc4N)I	1306
+O=S(=O)(OCC1CC(C1)n2cc(c3c2ncnc3N)I)c4ccc(cc4)C	1312
+O=S(=O)(c1c(cccc1)C)OCC2CCC(=CC2)CCCCC	6144
+CC(C)(C)OC(=O)N(C1CC(c2c3cc(ccc3[nH]c2)[N+](=O)[O-])CCC1)CC	23
+c1cc(ccc1F)C(=O)N2CC(NC(=O)NC3C4C(OC3)C(CO4)Oc5c(nccc5)C)CCC2	115
+n1n(c2nc(-c3cnn(C)c3)cnc2n1)CC4CCCNC4	6145
+C1C(CCCN1C(=O)c2cnc(c(Cl)c2)Nc3ccc(C)nc3)CCC	1970
+C1CN(CCC1CN(C2CCN(C)C2)C)c3c4c(csc4nc(Cl)n3)-c5ccccc5	61
+c1(cccnc1N2CC(CC2)F)CO	295
+CC(C)(C)OC(=O)N1CCCC(CN)C1	23
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)CN6CC(F)(F)C6	48
+C1CC1COc2nc(ccc2N3CC(F)(F)C3)C(=O)NC(CC)(CC)C(N4CC(C4)(F)F)=O	10
+C1C(CN1C(c2cc(N(C(c3cc4c(-c5c(OCC4)cc(cc5)Br)s3)=O)C)c(cc2)Cl)=O)(F)F	30
+C1N(CC1(F)F)c2cnc(C(OC)=O)cn2	317
+C1N(CC1(O)c2cc(cc(F)c2)Cl)CC	183
+C1N(CC1C(=O)N2CCCN(C3CCC3)CC2)C(CC)=O	58
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(-c3c(c(ccc3)CCCN4CC(C4)C(O)=O)CC)s2	61
+c1cc(ccc1CN2CC(C2)C(=O)O)-c3onc(-c4cc(C#N)c(OC(C)C)cc4)n3	48
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(-c4ccc(cc4)CN5CC(C5)C(O)=O)n3	48
+FC(F)c1nc(N2CC(C2)C(O)=O)c(cc1C(OCC)=O)C#N	43
+C1C(CN1c2c(C#N)cc(c(CC)n2)C(=O)OCC)C(O)=O	43
+C1C(CN1Cc2cc(ccc2C)NC(CC)c3cc(c(Cl)cc3)C)C(=O)O	48
+C1C(CN1c2nc(-c3cc(ncc3)Cl)cc4c2ccnc4)C(O)=O	43
+c1cc(ccc1)Cc2cc3c(cc2)oc(-c4ccc(cc4F)C(C)N5CC(C5)C(=O)O)c3	3617
+C1C(CN1Cc2ccc-3c(c2)CCc4c(noc-34)-c5ccc(cc5)CCC)C(=O)O	48
+CC(C)(C)[Si](C)(C)Oc1cc2c(cc(cc2)CN3CC(C3)C(OC)=O)cc1	48
+C1C(CN1c2cc(nc(C)n2)-n3nc(nc3C)C)C(OC)=O	54
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(=O)N6CC(C6)C(=O)OC)CCC3)n2	10
+c1ccccc1COc2ccc(cc2)C3(CC3)c4nc5c(nc(-c6c(F)cc(cc6)CN7CC(C7)C(OC)=O)s5)cc4	48
+C1C(CN1C(c2sc3ccc(-c4ccccc4)cc3c2F)=O)NC5CCN(C(=O)c6ccccc6)C5	6146
+C1N(CC1O)c2c(F)c3N(C=C(C(=O)OCC)C(c3cc2F)=O)C4CC4	34
+C1N(CC1O)CCc2ccccc2N3CCCCC3=O	61
+CC(C)(C)OC(NC(C(CC)C)C(N1CC(C1)O)=O)=O	10
+FC(F)(F)Oc1ccc(C2CC(CN(C(=O)N3CC(C3)O)C2)c4nc(OCC)no4)cc1F	468
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c(C)ccc3c2C=CN(C(CN4CC(C4)O)C)C3=O	123
+C1C(CN1c2c(cc([N+]([O-])=O)cc2)F)O	34
+C1N(CC1O)c2ncc(cc2)[N+](=O)[O-]	43
+C1N(CC1O)C(c2cc(-c3ccc(C)cc3C#N)cc(C(=O)OCC)c2)=O	30
+C1N(CC1O)C(=O)C2=C3CCCN3C(=O)C(F)=C2Nc4c(F)cc(I)cc4	6147
+C1N(CC1O)C(=O)OCc2ccccc2	66
+C1N(CC1O)C(=O)c2nnc(o2)-c3ccc(cc3)OC	3618
+CC(C)c1ccc(cc1)CN2CC(C2)O	48
+c1cc(ccc1CN2c3c(ncc(N4CC(C4)O)c3)C=CC2=O)OC	244
+C1CC(CCO1)c2cc(ncc2)N3CC(C3)c4[nH]c5c(cc(Cl)cc5)n4	361
+C1N(CC1c2nc3cc(Cl)ccc3[nH]2)c4c(cnc(Cl)n4)Cl	54
+O=S(=O)(C)N1CC(C1)c2ccc(c(F)c2)N(C)c3ncc4c(n(C)cn4)c3	112
+C1C(CN1c2ncc3ccc(Cl)cc3n2)c4c(nccn4)-c5cc(c(cc5)C(NC)=O)F	549
+C1C(CN1c2ccc3c(cc(cc3)F)n2)c4c(-c5cc(c(cc5)C(NC)=O)F)nccn4	3619
+CC(C)(C)[Si](C)(C)OCc1cccc(N2CCN(CC2)CC(=O)N3CC(C3)OC)c1F	224
+C1N(CC1C(=C)C(OCC)=O)C(OCc2ccccc2)=O	3620
+C1CN(CCC1O)c2nccnc2C3CN(C3)C(c4[nH]c5ccccc5n4)=O	317
+C1N(CC1NC)C(c2ccc(c(F)c2Nc3c(cc(cc3)I)F)F)=O	1971
+C1C(CN1CC(NC)C(C)CC)O	15
+C1N(CC1CNc2c3sccc3nc(n2)Nc4cnn(C)c4)C(C=C)=O	6148
+C1C(CN1C(OCc2ccccc2)=O)C3(CC3)C(=O)O	3
+C1N(CC1Oc2ccc(Br)cn2)C(Nc3cccnn3)=O	6149
+C1N(CC1(F)F)C(=O)c2ccc(c(c2)N(C(c3cc4CCOc5cc(C(=O)NCCS(=O)(=O)C)ccc5-c4s3)=O)C)Cl	2527
+c1cc(ccc1C(c2cccc(c2)C#N)N3CC(C3)C(c4cc(C(O)=O)cc(c4)F)C(C)(C)F)Cl	6
+c1cc(ccc1Cl)C(c2cc(ccc2)C#N)N3CC(C3)C(C(C)(C)F)c4cc(cc(F)c4)CO	217
+C1N(CC1O)CC(C(CC)C)N(C)C(c2cc(c(cc2)F)F)=O	30
+C1N(CC1Oc2ccc(cc2)Cl)CC3C(CCCC3)NC(=O)Nc4nnc(s4)CC	238
+c1ccccc1OC2CN(C2)CCC(CO)NC(=O)Nc3sc(nn3)CC	992
+c1c(OC)cc(cc1NC(=O)NC(CCN2CC(C2)Oc3ccc(cc3)Cl)CO)OC	282
+C1C(CN1CCC(CO)NC(=O)Nc2sc(nn2)CC)Oc3ccc(cc3)Cl	238
+c1cc(ccc1Cl)OC2CN(C2)CCC(NC(Nc3cc(CC)nn3C)=O)COC	238
+c1cc(ccc1)C(c2cc3c(oc(c3)-c4c(F)cc(CN5CC(C5)C(OC)=O)cc4)cc2)O	488
+C1C(CN1Cc2cc(c(C#Cc3ccc(Br)cn3)cc2)F)C(OC)=O	3621
+C1C(CN1Cc2cc(F)c(-c3oc4c(cc(cc4)C(c5ccccc5)=O)c3)cc2)C(OC)=O	1936
+C[Si](C)(C)C#Cc1c(F)cc(CN2CC(C2)C(OC)=O)cc1	263
+CC(C)(C)[Si](C)(C)n1c2c(c(c(cc2)F)-c3nc(c4nc(CN5CC(C5)N6CC(NCC6)=O)ccc4n3)N7CCOCC7)cc1	3622
+C1C(CN1Cc2ccc3nc(-n4c(nc5c4cccc5)C(F)F)nc(N6CCOCC6)c3n2)N7CCOCC7	3623
+O=S(=O)(NC(C1CN(C1)c2c(C#N)cc(c(CC)n2)C(=O)OCC)=O)Cc3ccc(F)cc3F	344
+c1cc(ccc1CS(=O)(=O)NC(C2CN(C2)c3c(C#N)cc(c(CC)n3)C(=O)OCC)=O)Cl	344
+C1C(CN1c2ccc(N)cc2F)O	0
+C1N(CC1C(N2CC(C#C)CC2)=O)c3n4nccc4nc5CCN(CCc35)C	113
+C1N(CC1C(Nc2ccccc2N)=O)c3cc(nc(C)n3)-n4nc(nc4C)C	33
+C1C(CN1c2cc(nc(C)n2)-n3nc(nc3C)C)C(O)=O	4
+c1cc(ccc1)OC(=O)Nc2cc(c(cc2)N3CC(C3)O)F	90
+c1cc(ccc1Oc2cc(OC)ncc2[N+](=O)[O-])N3CC(C3)OCCOC4CCCCO4	242
+C1N(CC1Oc2cc(ccc2Br)F)c3cnc(cn3)C(=O)O	1
+C1N(CC1C(=O)NC(C)C)c2nc(-c3cc(ncc3)Cl)cc4cnccc24	9
+C1N(CC1c2nc3ccccc3n2CC)c4nc(C)nc(-n5c(C)nc(C)n5)c4	1519
+FC(F)(F)CC(=O)Nc1ccc(cc1)Sc2nc(c(c(N3CC(C3)(F)C4CC4)n2)F)Nc5cc(n[nH]5)C	3624
+C1N(CC1OC)c2ncc(cn2)C(=O)O	1
+CCNCC1(CCCNC1)O	1574
+c1n(ccn1)-c2nnc(OC3CN(CCC3)Cc4cc5c(OCO5)cc4)cc2	171
+FC(F)(F)C(=O)N1CC(c2c3c(ccc2)[nH]cc3)CCC1	520
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(N(CC3CCCO3)Cc4nc(O)c5c(n4)CCOC5)=O	10
+C1CC1CN2CCC(CO)C2	61
+CC(C)(C)OC(=O)N1CC(CO)CCC1	23
+CC(C)(C)[Si](C)(C)OCC1CCCNC1	19
+c1(N2CC(CO)CCC2)c(cccc1)C=O	34
+c1cc(ccc1)COC(=O)N2CC(CO)CCC2	66
+c1cc(ccc1C2(CCC2)C(=O)N3CCCC(C3)CO)Cl	10
+C1COC(O1)(CCCN2CC(CCC2)CO)c3ccc(cc3)F	53
+c1cc(ccc1Oc2ccccc2)NC(=O)Nc3ccc4cn(CCCN5CCCC(CO)C5)nc4c3	61
+C1c2c(CC1CO)ccc(Oc3ncc(cc3)C(=O)N)c2	136
+CC(C)(C)OC(=O)N1CCc2c(n3nccc3nc2CC1)N4C(CO)CC4	1575
+C1CC(CCC1)C(C)NC(c2c3ccccc3nc(-c4cccs4)c2CN5CCN(CC5)C(N6C(CO)CCC6)=O)=O	776
+CC(C)(C)OC(N1C(CO)CCC1)=O	23
+OCC1N(CCC1)CCCOc2c(cc3c(Nc4c(cc(c5OCOc45)C#CCOC)Cl)ncnc3c2)OC	53
+Cc1c(c2n(c(cc(n2)N3C(CO)CCC3)-c4cc(Cl)ccc4)n1)I	790
+Clc1cc(cc(Cl)c1)C(C)(C)C(=O)N(c2c(cc(N3C(CO)CCC3)nc2)-c4ccccc4Cl)C	43
+c1c(F)cc(cc1-c2cc(N3CCCC3CO)nc4n2nc(C)c4I)F	790
+C(N1CCCC1CO)C#N	1576
+C(CC(NCCCN1CCCC1=O)=O)C(N2CCCC2CO)=O	731
+c1(cc(ccc1O)Nc2c3c(OCC4NCCC4)cccc3ncn2)Cl	1111
+c1cc(CNc2c(cnc(N3C(CO)CCC3)n2)C=O)cc(Cl)c1OC	3625
+OCC1N(c2cc(n3nc(C)c(I)c3n2)-c4ccc(c(c4)F)F)CCC1	790
+c1cc(ccc1S(=O)(=O)OCC2OC(C(C2)OC(C)=O)n3cnc4c(N)ncnc34)C	36
+FC(F)(F)S(=O)(=O)OCC1OCCCC1	1932
+C1C(CO1)(C(c2ccc(C)o2)NC3=C(Nc4cccc5NC(=O)Oc45)C(=O)C3=O)C	993
+C1C(CO1)(C(c2ccc(C)o2)NC3=C(C(=O)C3=O)Nc4cccc(C(O)=O)c4O)C	993
+C1C(CO1)(C(c2ccc(C)o2)NC3=C(Nc4c(c(ccc4)C(=O)CNCC(OC)=O)O)C(C3=O)=O)C	3626
+C1OCC1(C(c2ccc(C)o2)NC=3C(C(C=3Nc4c5c(NC(=O)N5)ccc4)=O)=O)C	993
+C1OCC1(C(c2oc(C)cc2)O)C	3627
+C1CCCCC1C2(COC2)C=O	24
+C1CC(CCO1)Oc2c3[nH]c(cc3cc(c2)Oc4ccc(S(=O)(=O)C)nc4)C5=NCC(CC(NCC6(COC6)C)=O)S5	9
+C1C(CO1)(COS(=O)(=O)C)Cn2cc(cn2)[N+]([O-])=O	7
+C1C(CO1)(COC)COc2c(ccc(OC)c2OCC3CC3)-c4cccc5C(=O)CCc45	8
+CN(C)CC1(COC1)Cn2ncc(c2)[N+]([O-])=O	123
+C1OCC1(C)COc2ccc(Cl)cc2C=C3c4c(cc(cc4)Cl)NC3=O	1495
+C1CC(CCC1N(C2COC2)C3CC3)CO	44
+C1OCC1N(C)Cc2n(C)nc(c2)NC3=CC(=CN(C)C3=O)Br	523
+C1C(CO1)N(Cc2n(nc(N)c2)C)C	161
+OB(O)C1=CN(C)C(C(Nc2nn3CCN(Cc3c2)C4COC4)=C1)=O	3628
+OCC1N(C(=O)C2N(C(=O)CN3CCCC3=O)CCC2)CCC1	88
+C1C(Cc2cc(OC)ccc2C1)N(C)CCCN	51
+c1c2c(CC(N(CCCNC(=O)Cc3cc(OC)c(OC)cc3[N+]([O-])=O)C)CC2)cc(c1)OC	9
+C1c2c(nc(C(=O)OCC)s2)CC1	6150
+N(c1cc2c(C=3C(CN(C)CC=3)F)c[nH]c2cc1)C(c4sccc4)=N	1139
+C1C(F)C(c2c3cc(N)ccc3[nH]c2)=CCN1C	0
+CC(C)(C)OC(N1CCCC2C1CN(C2)c3c(cc4C(=O)C(=CN(C5C(F)C5)c4c3Cl)C(O)=O)F)=O	34
+c1cc(ccc1)CC(=O)C=CC2CCC(N2CCCCCl)=O	1278
+CC(C)(C)OC(N1CCC(CC1)(N2CCC(CC2)NC3CCCCC3N)C)=O	87
+FC(F)(F)c1cc(OC)c(c(c1)SC)C(NC2C(CCCC2)N)=O	14
+FC(F)(F)c1cc(c(C(=O)NC2C(N)CCCC2)cc1)C3CC3	14
+CC(C)(C)OC(=O)NC1C(N)COC1	3629
+s1c2c(c(ncc2C#N)NC3C(NC(C)CC3)C)cc1Br	2500
+FC(F)(F)c1c(ccc(NC2CCCC(C2)N)c1)C#N	60
+n1c(Cl)ncc(F)c1NC2CC(N)CC(C)C2	40
+c1cc(ccc1Cl)-c2nc(c(C(NC3CCCN(c4cc(OCC(OC)=O)ccc4)C3)=O)s2)C	454
+C1CCC(C1)CCC(Nc2c(ccc3nc(ccc23)N4CCC(C4)N)Cl)=O	286
+O=S(=O)(c1ccc(cc1)NC2CCNC2)C	60
+c1cc(ccc1N2CCC(N)C2)C(OC)=O	34
+c12c(C(=O)N(C1=O)C3CCCNC3)cccc2	672
+n1c(N2CCCC(N)C2)c3CCCCc3nc1Cl	54
+C1CC1Cc2nc(ncc2-c3nc(NC4COCCC4)ncc3)N	306
+c1(NC2CCCOC2)c3c(ccs3)ncc1[N+](=O)[O-]	1972
+O=C(NC1CCCOC1)c2cc3nonc3cc2	93
+c1(F)c(F)c(c(c(F)c1C(=O)CC(=O)OCC)F)N2CCC(NC(=O)C)C2	34
+C(C)(=O)NC1CN(CC1)c2ccc([N+]([O-])=O)c(-n3ccnc3)c2	34
+c1cc(ccc1[N+]([O-])=O)N2CCC(NC(C)=O)C2	34
+C1CC1N2C=C(C(c3cc(F)c(N4CCCC(NC(C)=O)C4)c(F)c23)=O)C(O)=O	34
+N#Cc1c(C(=O)NC2CCNCC2C)[nH]c(C)c1Cl	1574
+FC(F)(F)c1c(Nc2cc(F)c(cc2)CNC(C3(NC(=O)c4cc(cnc4)N)CCOC3)=O)ccc(OC)c1	9
+FC(F)(F)c1c(Nc2ccc(cc2)CNC(=O)C3(CCOC3)NC(=O)c4cc(cnc4)N)ccc(OC)c1	9
+FC(F)(F)c1cc(OC)ccc1Nc2cc(c(nc2)CNC(=O)C3(COCC3)NC(=O)c4cc(cnc4)N)F	9
+C1CCCN1CCN2C(c3c(C)c(C=C4C(Nc5c4cc(F)c(N)c5)=O)[nH]c3CC2)=O	292
+C1COCCN1CC(O)CN2CCc3c(C2=O)c(c([nH]3)C=C4c5cc(c(cc5NC4=O)NC(=O)CO)F)C	292
+C1C(Nc2c1cc(c(NC(=O)CO)c2)F)=O	948
+COc1ccc2C(C(=O)Nc2c1)C	2528
+c1c2c(ccc1OC)C(C(=O)N2)=Cc3c(CCCO)c4c([nH]3)CCCCC4	292
+c1cc2CC(=O)N(c2cc1F)C(=O)C	1948
+c1ccccc1COC2CC(O)CCC2	149
+C1OC(CCC1)OC2CC(CC2)CI	219
+CC(C)(C)[Si](C)(C)OCC1CCC(O)C1	19
+C12CC3(CC(CC(C1)C3)C2OC(=O)N4CCC(O)C4)O	3630
+C1C2CC3CC1CC(C2)(C3)CC(Nc4c(C)ccc5nc(N6CC(O)CC6)ccc45)=O	286
+C1CC(CCC1)CC(Nc2c3c(ccc2C)nc(N4CC(O)CC4)cc3)=O	286
+C1CC(CCC1)CC(=O)Nc2c(ccc3c2ccc(n3)N4CC(O)CC4)Cl	286
+c1cc(ccc1Cl)C2(CC2)C(N3CCC(O)C3)=O	10
+CC(C)(C)OC(=O)Nc1ncc(cc1)CN2CC(CC2)O	619
+CC(C)(C)OC(N1CC(CC1)O)=O	23
+CC(C)(C)c1nc(N2CCC(C2)O)c3c(n(Cc4ccc(cc4)OC)nc3)n1	1577
+CC(C)Oc1ccc(S(=O)(=O)C)cc1C(N2CC(O)CC2)=O	30
+C[Si](C)(C)CCOCn1c2c(ccc(N3CC(CC3)O)c2)c(C(Nc4cn(nc4)Cc5cccc(c5)C#N)=O)n1	1578
+Clc1cc(-c2cc3[nH]c(NC(c4nc5cccc(N6CC(CC6)O)n5c4)=O)nc3cc2)cc(c1)F	6151
+c1c(ncc(c1)N2CC(CC2)O)C#N	3631
+FC(F)(C(F)(F)Cl)c1ccc(cc1)NC(c2cc(Br)c(N3CC(O)CC3)nc2)=O	43
+FC(F)(F)Oc1ccc(cc1)NC(c2cc(Br)c(N3CC(O)CC3)cc2)=O	34
+Clc1c2c(nccc2)c(c(c1)C(=O)N(OC)C)N3CC(CC3)O	1563
+FC(F)(F)c1c(c(N2CC(O)CC2)ccc1)C=O	34
+FC(F)(F)c1ccc(N2CC(O)CC2)nc1	43
+C1CN(CC1O)c2nc3ccc(Cl)c(N)c3cc2	286
+O=C(CNC(c1ccc(c(Cl)c1)Cl)=O)N2CCC(O)C2	10
+C1CC1C(=O)c2cnc3c(c2NC4CCC(CC4)CN5CC(O)CC5)cc(cc3)Br	123
+C1CN(CC1O)c2ccc([N+]([O-])=O)cc2F	34
+c1(C(=O)N2CC(CC2)O)cc3nccc(Cl)c3s1	867
+c1(CN2CCC(O)C2)cc(ccc1)OC	48
+c1cc(N2CC(CC2)O)ncc1Br	6152
+c1cc(N2CC(CC2)O)ncc1Br	323
+c1cc(ccc1)COC=2C=CN(C(=O)C=2)c3ccc(N4CC(O)CC4)nc3	361
+c1cc(ccc1S(=O)(=O)N2CC(O)CC2)C#N	92
+c1cc(ccc1I)C(N2CC(O)CC2)=O	115
+c1cc(ccc1Cc2[nH]c3ccccc3n2)C(=O)N4CCC(O)C4	30
+c1cc(ccc1OC(F)(F)C)NC(c2cc(Br)c(N3CC(O)CC3)nc2)=O	43
+C1CN(CC1O)c2ccc(cn2)C(=O)N	43
+c1cc(ccc1)CN2CC(O)CC2	48
+c1ccccc1NC(c2cc(ccn2)N3CC(O)CC3)=O	1465
+c12nnc(n1cc(cc2)F)N3CC(CC3)O	3632
+C1CC(CCN1c2ccc([N+](=O)[O-])c(OC)c2)N3CC(CCC3)O	85
+C1CCC(C1)n2cnc3c(nc(N4CC(CCC4)O)nc23)Nc5ccc6CCCc6c5	117
+C1CCC(C1)n2cnc3c(nc(nc23)N4CCCC(C4)O)NCc5cc(OC)c(cc5)OC	117
+FC(F)(F)c1ccc(c([N+](=O)[O-])c1)N2CC(O)CCC2	34
+c1c(cc2c(nc(N3CC(CCC3)O)s2)c1)Br	1912
+C1OC(n2c3cc(c(cc3nc2Br)F)F)C(OC(C)=O)C(O)C1OC(=O)C	59
+c1cc(ccc1)N2CCN(CC2)C(=O)C3C(C(OC)=O)CC(CN3)OC	10
+FC(F)(F)S(=O)(=O)c1ccc(cc1)-n2ccc(c2)C=O	6153
+C1CN(CCN1c2ncccc2COC)CC3Oc4ccccc4OC3	28
+CC(C)(C)c1c(C2CCN(CC2)C(C3SCCC3)=O)cccc1	10
+c1(cccnc1C2CCCC(c3c(cccn3)C)N2)C	1571
+CN(C)c1nccc(-c2c(nc3n2cccc3)CN(C4CCCc5c4nccc5)C)c1	879
+C(N(C)C1c2c(CCC1)cccn2)c3nc4cccc(F)n4c3	879
+c12n(c(cc1c3c(C(NC3=O)=O)c(-c4ccccc4Cl)c2)C=O)CCCOC	3633
+CN(C)C=C1C(c2c(C(C1)c3c(F)cccc3)cccc2)=O	6154
+C1CC(CCC1CCCCC)c2cccc(F)c2F	191
+C1(=O)c2ccccc2C(=O)N1C3CCC(c4cnccc4)C3	1579
+c1cc(ccc1C(=O)C2C(=O)c3c(C2)scc3)Br	6155
+O=S(=O)(c1c(F)cc(c(F)c1)OC2C(c3n(ncc3)CC)CCC2)N(c4ccncn4)Cc5ccc(cc5OC)OC	57
+O=S(=O)(Nc1scc(C=2CCCC3(CC(N(Cc4cc(OC)ccc4)C=23)=O)C)n1)c5ccc(c(F)c5)F	1140
+C1C2(C(N(C(=O)C2)Cc3cc(ccc3)OC)=C(CC1)c4csc(N)n4)C	6156
+C1C2(CC1(C2)NC(C)=O)OC(C)=O	68
+C1C2(CC1(C2)NC(C)=O)O	59
+C1C2(CC1)c3c(NCC2)cccc3F	15
+C1C2(CC1)CNC(c3n2c4cc(C(=O)Nc5ccc(F)c([N+]([O-])=O)c5)ccc4c3)=O	67
+C1C2(CC1)CNC(c3n2c4cc(C(Nc5cc(c(F)cc5)N)=O)ccc4c3)=O	0
+C1C2(CC1)CNC(c3cc4c(cc(C(=O)O)cc4)n23)=O	6
+C1C2(CC1)S(=O)(=O)CC(NC2=N)(c3cc(ccc3F)N)C	0
+O=S1(=O)C2(CCC2)C(NC(c3c(F)cccc3)(C1)C)=N	562
+C1C2(CC1)C(=N)NC(CS2(=O)=O)(c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F)C	187
+C1CN(CCC12CC3(C2)Cc4cc(C=5CCN(S(=O)(=O)C)CC=5)ncc4O3)c6nc(no6)CCC	880
+C1C2(CC1C2)NC(=O)c3nc(nc(N4CCC(CC4)c5n[nH]c6ncccc56)c3)OCC7CC7C#N	482
+C1C2(CC1C2)Nc3ncc(C(N)=O)c(SC)n3	2529
+C1C2(CC1C2)Nc3ncc(C(=O)N)c(S(=O)C)n3	3634
+C1C2(CC1C2)Nc3nc(SC)c(C#N)cn3	3635
+C1CN(CCC1C(=O)OCC)C2CC3(C2)CCN(C(OCC)=O)C3	66
+c1ccccc1C(N2CC3(CN(C3)C(NCc4ccc(cc4Cl)Cl)=O)C2)=O	115
+C1C2(CN1C(OCC)=O)Oc3ccc(cc3C(=O)C2)C=CC(O)=O	127
+C1C2(CN1C(OCC)=O)Oc3ccc(cc3C(=O)C2)C=CC(=O)NO	792
+C1C2(CN1C(OCC)=O)Oc3ccc(C=CC(NOC4OCCCC4)=O)cc3C(=O)C2	793
+C1C2(CN1c3cc(OC)c(Nc4nc(ccn4)-c5cnn6c5CCCC6)cc3N)CCCN2C	0
+C1CN(CCC12CN(C2)c3nc4ncccc4c(Nc5cc(n[nH]5)C)n3)C(=O)C	58
+N1(C(C2CC2(C=O)C1)=O)Cc3ccc(cc3OC)OC	24
+C1C2(CC1(n3cc(-c4nc(-c5cnn(C)c5)cc6nccn46)cn3)CC#N)COC2	2525
+CC(C)(C)c1nc(c2cc[nH]c2n1)N3CC4(C3)COC4	778
+C1N(CC12COC2)c3ccc(cc3)I	560
+O=S1(=O)CC2(CC(C2)Nc3c([N+](=O)[O-])cc(cc3)Cl)C1	60
+C1C(CNCC)(CCCN1C(=O)OC)O	122
+COc1cc2CCC3=C(CCC4(CC)C3CCC4=O)c2cc1	6157
+FC(F)(F)c1nc(C(=O)NCC2N(C(c3nc(C)sc3-c4cccc(C)c4)=O)CC5CC(CC25)C)ccc1	81
+C1C2C(CC(C)C2)C(N1C(=O)c3nc(C)sc3-c4cc(C)ccc4)CNC(c5ccnc(C)c5)=O	14
+C1C(C(O)CC1)c2ccnn2C	6158
+C1C2C(CC1COc3cc4c(cc3OC)c(ccn4)Oc5c(cc(cc5)N)F)CN(C2)C	0
+C1C2CC(CC2CN1C(CC#N)=O)Nc3c(cnc(Nc4ccc5c(C)n(C)nc5c4)n3)Cl	10
+C1CN(CCN1c2c(OC3CCCC3)ccc(c2)F)CCCN4C(=O)C5C(CCC(C5)O)C4=O	3636
+C(C)(NCC1(CCC2CCC1C2)NC(C)=O)=O	6159
+C12C(CN(C1)c3nc(N)ccc3)C2	361
+c1cc(ccc1-c2n(cc(C(=O)N3CC4C(C3)C4)c2C)C)Cl	211
+C1C2C(CN1CCCc3c(C)c4c(ccc(c4)F)[nH]3)C2(c5cccc(NS(=O)(=O)C)c5)C	15
+C1C2CNCC2CN1C(=O)c3c(cc(OC)cc3)-n4nccn4	25
+CN(C)C(N1CC2C(CC(C2)C#N)C1)=O	881
+c1cc(ccc1)COC(=O)N2CC3C(CC(C3)(c4ccccc4)O)C2	251
+C12C(CN(C1)CC=C)C2(c3cccc(NS(=O)(=O)C)c3)C	80
+C1C2C(CN1c3cccc(Nc4cc(nn5ccnc45)-c6cc(ccc6)C(=O)O)n3)C2	1
+c1cc(I)c2c(CC3C(C2)OCCN3C)c1OC	184
+C1C2C(Cc3cccc(OC)c13)OCCN2	15
+c1ccccc1COC(N2CCOC3Cc4cccc(c4CC23)OC)=O	66
+C1CC(C2(C)CCC3C(C12)CCc4cc(O)ccc34)=C	6160
+C12CC(CC(CCC1)N2C(=O)c3cc4CN(CCn4n3)C(NCc5cc(Cl)cc(c5)Cl)=O)C(O)=O	3
+C1C2CC(CC(CC1)N2C(=O)c3cc4CN(CCn4n3)C(NCc5cc(Cl)cc(c5)Cl)=O)C(OCC)=O	1893
+C12C(CC(C1)OC(NC(C)C)=O)CC(C2)NCC(=O)N3C(C#N)CCC3	6161
+C1C2C(CN1C(N(C)C)=O)CC(C2)C#[N+]CS(=O)(=O)c3ccc(cc3)C	1141
+c1c2ncn(c2ccc1)C=3C4(C)CCC5C6(C)C(CCC5C4CC=3C=O)CC(CC6)OC(=O)C	6162
+C1C2(CC1C2)NC(=O)c3cc(nc(Cl)n3)N4CCC(CC4)c5n[nH]c6ncccc56	81
+C1C2(CC1C2)Nc3ncc(c(n3)SC)Br	96
+C1C2CC1(C2)NC(=O)c3c(F)ccc(-c4cc5c(c(-c6ccc(cc6)F)oc5cc4CC(=O)OC)C(=O)NC)c3	14
+C1C2CC1(C2)NC(c3c(ccc(-c4cc5c(C(NC)=O)c(-c6ccc(cc6)F)oc5nc4Cl)c3)F)=O	14
+C1C2CC1(C2)NC(=O)c3c(F)ccc(c3)-c4cc5c(cc4CC(O)=O)oc(-c6ccc(cc6)F)c5C(=O)NC	4
+C1C2CC1(C2)NC(=O)c3c(ccc(c3)-c4c(CC(=O)N)cc5c(c(C(=O)NC)c(-c6ccc(cc6)F)o5)c4)F	83
+CC(C)(C)OC(N1CC2CC1CN2c3cc(nc(n3)N4CC5CC4C5)-c6cnc(N)c(c6)C(F)(F)F)=O	117
+C1C2CC1N(C2)C(=O)c3ccc(c(F)c3)Oc4cc(cc(c4)OC(C)CO)C(=O)Nc5nn(C)cc5	30
+Clc1cnc(cc1)C(Nc2ccc(c(c2)C34NC(COCC3C4)=S)F)=O	187
+Cc1nc(C(N2CC3C(C2CNC(=O)c4c5C=CCOc5ccc4)C3)=O)c(s1)-c6cccc(c6)C	14
+c1ccc2OCCCc2c1C(NCC3C4C(CN3C(c5nc(C)sc5-c6cccc(c6)C)=O)C4)=O	14
+C1C2CC3(CC(CC1(C(O)C)C3)C2)O	100
+CC(C)(C)OC(=O)NC12CC3CC(CC(C1)C3)(O)C2	37
+C12CC3(CC(CC(C1)(NC(=O)c4cccc(Cl)c4)C3)C2)CO	95
+C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O	6163
+C1C2CC3CC(CC1(C(OC)=O)C3)C2N	316
+C1C2CC3(CC(CC1C3)C2O)O	100
+C1C2CC3CC(CC1(C3)CO)C2N	95
+CC(C)(C)OC(=O)NC12CC3CC(CC(C1)C3=O)C2	37
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)C2O)=O	37
+C1C2CC3CC(CC1C3(CO)C#N)C2	95
+C1C2CC3CC(CC1C3)C2(CO)CCOC	95
+C1C2CC3CC(CC1C3)C2(C#N)COc4cc(F)c(cc4Cl)C(OC(C)(C)C)=O	57
+C1C2CC3CC(CC1C3)C2(COc4cc(c(C(OC(C)(C)C)=O)cc4C5CC5)F)C#N	2530
+C1C2CC3CC(CC1C3)C2(COc4c(cc(C(NS(=O)(=O)C)=O)c(F)c4)C5CC5)C#N	258
+C1C2CC3CC(CC1C3)C2(COc4cc(F)c(cc4C5CC5)C(=O)O)C#N	153
+C1C2CC3CC(CC1C3)C2(O)CN	51
+C1C2CC3CC(CC1C3)C2(O)C#N	3637
+C1C2CC3CC(CC1C3)C2C#[N+]CS(=O)(=O)c4ccc(cc4)C	1141
+C1C2CC3CC(CC1C3)C2C#N	881
+C1C2CC3CC(CC1C3)C2NC(=O)c4c(n(-c5ccc(cc5)C(OC)=O)nc4)SC6CCCC6	597
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)CC(C(C(OCC)=O)C)c6c5c(ccc6)Br	1132
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)CC(=CC(=O)OCC)c6cccc(Br)c56	1132
+C1C2CC3CC(CC1C3)C2NC(c4cnn(c4Cl)C(C)(C)C)=O	597
+C1C2CC3CC(CC1C3N=C=O)C2	6164
+C1C2CC3CC(CC1C3)C2NC(N4c5c(OCC4)cccc5)=O	3638
+C1C2CC3CC(CC1C3)C2NC(c4c(n(C)nc4)Cl)=O	597
+C1C2CC3CC(CC1C3)C2NC(c4cccc(Br)n4)=O	81
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)CC(c6cccc(Br)c56)CC(OCC)=O	6165
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)c6c(cccc6C(C(C)C(O)=O)C5)Br	3
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)CC(c6cccc(Br)c56)CCO	44
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)c6c(C(CCOS(=O)(=O)c7ccc(cc7)C)C5)cccc6Br	36
+C1C2CC3CC(CC1C3)C2NC(=O)c4c(n(-c5ccc(cc5)C(=O)O)nc4)SC6CCCC6	1
+C1C2CC3CC(CC1C3)C2NC(c4cccc(N5CCN(CC5)C(OC(C)(C)C)=O)n4)=O	323
+C1C2CC3CC(CC1C3)C2NC(=O)c4nc(ccc4)N5CCNCC5	2
+C1C2CC3CC(CC1C3)C2NC(=O)c4c(n(nc4)C(C)(C)C)N5CCCC5	959
+C1C2CC3CC(CC1C3)C2NC(c4nc(N5CCN(CC5)CCC(=O)N)ccc4)=O	327
+C1C2CC3CC(CC1C3)C2OC(=O)N4CCC(CC4)(COCC(=O)O)c5ccccc5	4
+C1C2CC3CC(CC1C3)C2OC(N4CCC(CC4)(CO)c5ccccc5)=O	88
+C1C2CC3CC(CC1C3)C2OC(N4CCC(CC4)(COC)c5ccccc5)=O	21
+C1C2CC3CC(CC1C3C(=O)OC)C2	27
+C1C2CC3CC(CC1C3N(CC(COc4ccccc4C(NCc5ccc(cc5)C6(N=N6)C(F)(F)F)=O)O)C)C2	14
+C1C2CC3CC(CC1C3N(C)CC(COc4ccccc4C(O)=O)O)C2	1
+C1C2CC3CC(CC1C3NC(N4CCC5(CC4)OCc6ccccc56)=O)C2	384
+C1C2CC3CC(CC1C3N(CC(O)COc4c(cccc4)C(=O)OC)C)C2	170
+C1C2CC3CC(CC1C3)C2OC(N4CCC(CC4)(c5ccccc5)C(=O)OC)=O	66
+C1C2CC3CC(CC1C3OC(NC(C(=O)OC)(Cc4ccc(cc4)O)C)=O)C2	544
+C1C2CC3CC(CC1C3OC(NC(C(=O)OC)(Cc4ccc(cc4)OC)C)=O)C2	65
+C1C2CC3CC(CC1C3OC(NC(C)(C(=O)O)Cc4ccc(cc4)OC)=O)C2	4
+C1C2CC3CC1CC(C2)(C3)C(O)CNc4ncnc5c4CCN(Cc6ccccc6)C5	40
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4c5ccc(nc5ccc4C)Cl	26
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4c5c(ccc4)C(OC=C5)=O	26
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4cccc5nc(ccc45)Cl	26
+C1C2CC3CC1CC(C2)(C3)CCOCCOCCO	481
+C1C2CC3CC1(CC(C2)C3)CCN(C(=O)NCCCc4cc[n+](cc4)[O-])CCCCC	103
+C1C2CC3CC1(CC(C2)C3)CCN(C(=O)NCCCc4ccncc4)CCCCC	1132
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4cccc(N)n4	81
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(N)nn(-c5ncccn5)c4	597
+C1C2CC3CC1CC(C2)(C3)COS(=O)(=O)C	7
+C1C2CC3CC1(CC(C2)C3)COc4ccc(C#N)cc4Br	57
+C1C2CC3CC1CC(C2)(C3)COc4ccc(C#N)cc4C5(CCC5)O	251
+C1C2CC3CC1CC(C2)(C3)COc4ccc(C#N)cc4-c5cccnc5OC	305
+C1C2CC3CC1CC(C2)(C3)n4nnc(CSc5c(ccc(Cl)c5)Cl)c4	642
+C1C2CC3CC1CC(C2)(C3)NC(N4CC5(C4)CCN5S(=O)(=O)c6ccc(cc6)Cl)=O	92
+C1C2CC3CC1(CC(C2)C3)NCc4ccc(cc4)C=CC(=O)Nc5ccccc5N	1313
+C1C2CC3CC1(CC(C2)C3)NCc4ccc(cc4)C=CC(=O)O	127
+C1C2CC3CC1CC(C2)(C3)c4c(O)cc(c(c4)Br)C	957
+C1C2CC3CC1CC(C2)(C3)OCc4cc(F)c(cc4Cl)Br	1476
+C12CC3CC(C1)CC(C2)(C3)c4cc(Br)cc(C(c5ccccc5)=O)c4O	957
+C1C2CC3CC1CC(C2)(C3)c4cc(ccc4O)Br	957
+C1C2CC3CC1(CC(C2)C3)c4cc(cc(C(=O)c5ccccc5)c4O)-c6cccc(C=O)c6	241
+C12CC3CC(C1)CC(C2)(C3)c4cc(-c5cc(C=O)ccc5)cc(F)c4O	186
+C1C2CC3CC1(CC(C2)C3)c4c(ccc(c4)C#Cc5ccc(cc5)C(=O)N)OCOCCOC	1580
+C1C2CC3CC1(CC(C2)C3)c4c(ccc(c4)C#Cc5ccc(cc5)C(=O)Cl)OCOCCOC	82
+C12CC3CC(C1)CC(C2)(C3)c4ccc(c(C)c4)OCC(=O)OCC	1845
+C1C2CC3(CC(CC1(C(=O)C)C3)C2)O	6166
+C1C2CC3CC1CC(C2)(C3)C(O)CNc4ncnc5CN(CCc45)C(C6N(C(=O)OC(C)(C)C)CCC6)=O	10
+C1C2CC3CC1CC(C2)(C3)C(O)CNc4ncnc5CN(CCc45)C(C(Cc6ccccc6)NC(OC(C)(C)C)=O)=O	10
+C12CC3(CC(C1)CC(C3)C2)C(Nc4ccc(cc4[N+]([O-])=O)S(=O)(=O)NC(c5ccc(cc5)-c6ccc(cc6)F)=O)=O	26
+C1C2CC3CC1CC(C2)(C3)C(Nc4cc5c(nc(s5)NC(C)=O)cc4)=O	1973
+C1C2CC3CC1CC(C2)(C3)C(O)CNc4ncnc5CN(C(=O)C(Cc6ccccc6)N)CCc45	84
+C1C2CC3CC1CC(C2)(C3)C(CNc4c5c(ncn4)CNCC5)O	25
+C1C2CC3CC1CC(C2)(C3)CC(Nc4c5CCN(C(=O)c5ccc4)CCO)=O	6167
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4cccc5c4C=CN(C(CO)C(C)C)C5=O	1892
+C12CC3(CC(C1)CC(C3)C2)CC(Nc4c5c(nc(cc5)CCCN(C(OC(C)(C)C)=O)CCCO)ccc4)=O	587
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4c5ccc(nc5ccc4)C#CCN(C(=O)OC(C)(C)C)CCCO	6168
+C1C2CC3CC1CC(C2)(C3)CC(Nc4c(C)ccc5nc(N6CC(CC6)OS(=O)(=O)C)ccc45)=O	7
+C1C2CC3CC1CC(C2)(C3)CCOCCOCCOS(=O)(=O)C	7
+C1C2CC3CC1CC(C2)(C3)CCOCCOCCN=[N+]=[N-]	133
+C1C2CC3CC1CC(C2)(C3)COc4cc(F)c(C#N)cc4Br	262
+C1C2CC3CC1CC(C2)(C3)COc4cc(F)c(C(NS(=O)(=O)N5CCC(OCc6ccc(cc6)OC)C5)=O)cc4Cl	258
+C1C2CC3CC1CC(C2)(C3)COc4cc(F)c(cc4Cl)C(=O)NS(=O)(=O)N5CCC(O)C5	1974
+C1C2CC3CC1CC(C2)(C3)COc4ccc(cc4-c5cccnc5OC)C(=O)N	216
+C1C2CC3CC1CC(C2)(C3)COc4c(cc(cc4)C#N)C5CCC5	564
+C1C2CC3CC1CC(C2)(C3)OCCOCCOCCOCCOCCCCN=[N+]=[N-]	967
+C1C2CC3CC1CC(C2)(C3)OCCOCCOCCOCCOCCCCN	18
+C12CC3CC(C1)CC(C2)(C3)OCCOCCOCCOCCOCCOS(=O)(=O)C	7
+C1C2CC3CC1CC(C2)(C3)c4c(OCc5ccccc5)cc(C)c(Br)c4	22
+C1C2CC3CC1CC(C2)(C3)c4cc(ccc4OC(C)C)CCN(C)C(C(F)(F)F)=O	782
+C1C2CC3CC1CC(C2)(C3)c4c(OCc5ccccc5)cc(c(B(O)O)c4)C	281
+C1C2CC3CC1CC(C2)(C3)c4c(ccc(c4)CC[N+](=O)[O-])OC(C)C	364
+C1C2CC3CC1CC(C2)(C3)c4c(ccc(C=C[N+]([O-])=O)c4)OC(C)C	417
+C1C2CC3CC1CC(C2)(C3)c4cc(CCN)ccc4OC(C)C	157
+C1C2CC3CC1CC(C2)(C3)c4c(OC(C)C)ccc(CCNC(C(F)(F)F)=O)c4	659
+C1C2CC3CC1CC(C2)(C3)c4cc(ccc4O[Si](C)(C)C(C)(C)C)Br	154
+C1C2CC3CC1CC(C2)(C3)c4c(ccc(CCNC)c4)OC(C)C	318
+C1C2CC3CC1CC(C2)(C3)c4ccc(cc4)NC(=O)OC(C)(C)C	673
+C1C2CC3CC1CC(C2)(C3)c4ccc(cc4)NC(C(OCC)=O)=O	994
+C1C2CC3CC1CC(C2)(C3)c4ccc(cc4)N	78
+C1C2CC3CC1CC(C2)(C3)c4ccc(cc4)NC(=O)C(O)=O	1581
+C1C2CC3CC1CC(C2)(C3)n4nnc(CS(=O)(=O)c5c(Cl)ccc(Cl)c5)c4	6169
+C1C2CC3CC1CC(C2)(C3)n4nnc(CS(=O)c5c(Cl)ccc(c5)Cl)c4	357
+C1C2CCC(CC1N)N2Cc3ccccc3	733
+C1C2CCC(CC1C#[N+]CS(=O)(=O)c3ccc(cc3)C)S2	1141
+C12CCC(CC(C1)C#N)S2	881
+C1CC2CC(CC1N2Cc3ccccc3)NC(=O)C(C)C	68
+Clc1cc(cc(Cl)c1)COC(N2C3CCC2CC(C3)NC(CCCc4cnn[nH]4)=O)=O	66
+C1CC2CC(CC1N2c3nc(nc4c3c(-c5ccccc5)cs4)N6CC(CC6)C(=O)N)=O	86
+C1C2CCC(CC1c3n4c(c(c(-c5ccncc5)n4)I)ncc3)N2CC	183
+CC(C)(C)OC(=O)Nc1ccc(cc1OC)-c2c(-c3ccncc3)nn4c2nccc4C5CC6CCC(C5)N6CC	6170
+C1CC2CC(CC1N2C(OCC)=O)n3cc(cn3)-c4cnc(N)c(c4)-c5sc6ccccc6n5	1142
+C1C2CCC(CC1n3ncc(-c4cnc(N)c(c4)-c5sc6ccccc6n5)c3)N2C	3639
+c1cc(ccc1-c2nc3n(C4CCCCO4)ncc3c(N5CC6CCC(C5)O6)n2)NC(=O)C	345
+C1C2CCC(CN1c3nc(N4CCC(CC4)=O)nc(-c5ccc(cc5)N)n3)O2	1582
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3nc(Cl)nc(N4CC5CCC(C4)O5)c3cn2	3614
+C1C2CCC(CN1c3c4c(n(nc4)C5CCCCO5)nc(Cl)n3)O2	1846
+C1C2CCC(CN1c3nc(nc(NC(C)C)c3)-c4ccc(cc4)N)O2	0
+C1C2CCC(CN1c3nc(nc(NC(C)C)c3)-c4ccc(cc4)[N+](=O)[O-])O2	40
+C12CN(CC(CC1)O2)c3cc(Cl)nc(I)n3	2531
+C1C2CCC(CN1c3ccnc(n3)Nc4cnn(C)c4)N2C(NCC#N)=O	3640
+CC(C)(C)c1ccc(cc1)NC(N2C3CN(CC2CC3)c4ncccc4Cl)=O	326
+O=S(=O)(c1ccc(cc1)Cl)N2C3CCCC2CC(C3)=O	92
+C1C2CCCC(CC1C(OC)=O)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O	91
+C12CC(CC(CCC1)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O)C(=O)O	4
+FC(F)(F)CN1CCCN(CC1)c2ccc3N4CC(N(c3n2)C(=O)Nc5ccncn5)CCC4	2532
+C1C2CN(CC(CN1C(=O)NCC)C2)CCNC(Cn3c(-c4ccc(cc4)C#N)c(cn3)-c5ccc(cc5)C#N)=O	28
+C1C2CN(CC(CN1C(=O)Nc3ccccc3)C2)Cc4ccccc4	326
+C1C2CNCC(CN1C(Nc3ccccc3)=O)C2	25
+C1CCCCC1CC2(CC3C(C2)CN(C3)C(N(C)C)=O)C=O	6171
+C12CN(CC(CN(C1)C(=O)Nc3ccccc3)C2)CC(O)COc4cccc5c4cc(C#N)[nH]5	170
+c1cc(ccc1CN2CC3CN(CC(C2)O3)CCN(S(=O)(=O)C)CCOc4ccc(cc4)C#N)F	131
+C1C2C(CC1COc3cc4c(c(ccn4)Oc5c(cc(cc5)[N+]([O-])=O)F)cc3OC)CN(C2)C	113
+C1C2CN(CC2CN1c3cc(N(C)C)ncn3)C(=O)c4c(cc(OC)cc4)-n5nccn5	54
+C12C(CN(C1)c3nc(C)c(cn3)F)CN(C2)C(=O)c4c(cc(OC)cc4)-n5nccn5	117
+C1C2CN(CC2CN1C(c3c(-c4nnc[nH]4)cccc3)=O)c5nc(C)c(c(C)n5)C	117
+C1C2C(CN1C(=O)c3c(cc(OC)cc3)-n4nccn4)CN(C2)Cc5ccccc5	30
+CC(C)(C)OC(N1CCC2C(c3c(scc3)C2)C1)=O	23
+CC(C)(C)OC(N1CCC2Cc3c(C2C1)scc3)=O	23
+C(CN1CCC2N3c4c(C2C1)cc(-c5c(c(Cl)ccc5)Cl)cc4CCC3)C	28
+FC(F)(F)C(N1CC2c3c(C(C1)C2)cccc3)=O	520
+N(C=O)c1scc(C(=NOCc2ccon2)C(=O)NC3C(N4C3SCC=C4C(=O)O)=O)n1	471
+N(C=O)c1scc(C(=NOCCOCC)C(=O)NC2C(N3C2SCC=C3C(=O)O)=O)n1	471
+Nc1c(NC(=O)N(C)CCC)cc(cc1)C=2CCCC=2	0
+c12c(CCCCN1C(=O)C)cc(OCC3=CCN(C)CC3)c(Br)c2	3641
+C1N(CC=C(COc2ccccc2I)C1)C	3641
+c1ccccc1COC(=O)Nc2cc(F)c(C=3CCSCC=3)cc2	90
+O=S(=O)(C)OCC1CN(c2ccc(c(c2)F)C3=CCSCC3)C(=O)O1	7
+C1CC(=CCN)c2c1cnc3OCCc23	3642
+C=1(CCN(c2c(cc(-c3cc(c(cc3)OCC)F)cc2)C=1)C=O)C(=O)OC	6172
+O=S(=O)(ON=C1CCc2ccccc12)c3ccc(cc3)C	3643
+C1C(C(=C(C1)OCC)Br)=O	6173
+FC(F)c1cccc(NC2=CC(CC2)=O)c1	6174
+c1cc(ccc1CBr)OCC2(CCCCC2)C	29
+C1CC(CCC1)C(NC(c2c(CBr)c(nc3ccc(F)cc23)-c4ccccc4)=O)C	223
+C1CC(CCC1)C(NC(c2c(c(nc3cc(Cl)ccc23)-c4ccccc4)CBr)=O)C	223
+C1CC(CCC1)CCCCCCBr	552
+C1CC(CCC1)CN2C(C(=CC(C(OC)=O)=C2CBr)Br)=O	1093
+C1CC(CCC1)CN2C(C(=CC(C(=O)OC)=C2C)Br)=O	3644
+C1CC(CCC1)NS(=O)(=O)c2ccc(CBr)c3c2cccc3	29
+C1CC2(OCCO2)CCC1(C#N)c3ncc(Br)s3	617
+C1CC(CCC1C(=O)OCCCC)C(O)(c2ncc(Br)s2)C	617
+C1CC(CCC1N2C(=O)C(Br)=Cc3c(C)nc(nc23)N)OC	3645
+C1CC(CCC1O)N2C(=O)C(Br)=Cc3c(C)nc(nc23)N	3645
+C1CC(CCN1)(C2Cc3cc(Br)cc(F)c3O2)O	38
+C1CC(CCO1)CNC(c2cnc(-n3ncc(c3OC)Br)cc2)=O	3515
+C1CC(CCO1)CNc2ccc(c(n2)-c3c(cnc(F)c3)Cl)Br	203
+C1CC(CCO1)CNc2nc(-c3cc(F)ncc3Cl)c(nc2)Br	439
+C1CC1C(O)(c2cccc(Br)c2O)C	38
+C1CC1C(N2C(C)CCc3c2ccc(c3O)Br)=O	38
+C1CC1CCNc2nc3c(nc(Br)n3C4OCCCC4)c(n2)N	995
+C1CCCC1(c2cc(c(N)c(c2)OCC3CC3)Br)C(=O)OCC	38
+C1CC1NS(=O)(=O)c2c(n(c(Br)c2)CC3CCCCC3)C	653
+c1cc(ccc1-c2cnc(c(Br)c2)N)S(=O)(=O)NC3CC3	203
+C1CC2CCC(=O)N2CC1c3n4ccnc(Cl)c4c(Br)n3	794
+C1CC2CCOC(=O)N2CC1c3n4ccnc(Cl)c4c(Br)n3	794
+C1CC2COCC(=O)N2CC1c3n4ccnc(Cl)c4c(Br)n3	794
+C1CCC(C1)CCCCCCCCBr	552
+C1CCC1N2c3c(C(=C(C2=O)Br)N)cnc(n3)SC	3489
+C1CCC1Oc2nc(c3nc(n(C4OCCCC4)c3n2)Br)N	995
+C1CCCC(n2c(Br)nc3c(nc(OC(CC)C)nc23)N)O1	995
+C1CCCC(n2c(Br)nc3c(nc(OC(CCC)C)nc23)N)O1	995
+C1CCCC(n2c(Br)nc3c(nc(OCC(C)CC)nc23)N)O1	995
+C1CCCC(n2c(Br)nc3c(nc(OCCCC)nc23)N)O1	995
+C1CCCC1N2C(C(=C(CBr)N2C)Cl)=O	3646
+C1CCCCN1N2CCc3c(c(C)c(Br)n3-c4ccc(cc4Cl)Cl)C2=O	653
+C1CN(C(CC1c2n3ccnc(Cl)c3c(Br)n2)=O)C	794
+C1CN(CCC1)CCCN2C=CC(=CC2=O)c3cnn4c(ncc4Br)c3	1975
+C1CN(CCO1)C(c2c(c3c(cc(c(c3)OC)OC)s2)CBr)=O	795
+C1CN(CCO1)c2nc(Cl)nc3c2nc(CBr)cc3	6175
+C1CNCCC1C2Oc3c(cc(Br)cc3F)C2	38
+C1COCCC1(c2ccc(c(c2)Br)N)C(OC)=O	38
+C1COCCC1(F)c2scc(CBr)n2	6176
+C1COCCN1Cc2c(c(N)n3c(c(-c4cnc5ccccc5c4)cn3)n2)Br	1583
+C1COCCN1c2ncc(n3cc(nc23)CO)Br	2533
+C1COCCN1c2c3n(c(cn2)Br)cc(C(OCC)=O)n3	2533
+C1CC(CCS1(=O)=O)(C#N)c2ccc(c(Br)c2)N	38
+C1CC(c2ccc(OC)c(c12)Br)=O	38
+C1Cc2c(NC1=O)c(F)cc(Br)c2	38
+C1N(CC1(F)F)c2c(Br)nc(C(OC)=O)cn2	439
+C1N(CCCNC1=O)c2sc(c(Cl)n2)Br	617
+C1NC(=O)CC1c2cc(N)c(cc2Br)Cl	38
+c1c(Br)cc2CC(CC)Oc2c1	38
+BrC=1C(N2C(=NC=1C(C)Br)SC=C2C)=O	2521
+C1=C(Br)Cc2c(Cl)cccc12	6177
+CC(C)(C#N)c1cc(Br)c(OC)cc1Cl	38
+CC(C)(C#N)c1cc(cc(C(C)(C)C#N)c1)CBr	29
+CC(C)(C)C(=Cc1c(Cl)cc(cc1)Cl)CBr	2534
+CC(C)(C)C(=O)Nc1c(-c2ncccc2)cc(Br)c(F)c1	38
+CC(C)(C)COS(=O)(=O)c1c(ccc(c1)[N+](=O)[O-])CBr	29
+CC(C)(C)Cn1c(nc2cnc(nc12)C#N)CBr	6178
+CC(C)(C)N1C(=O)C(CBr)=C(C=N1)Cl	6179
+CC(C)(C)NS(=O)(=O)c1c(OC)ccc(CBr)c1	29
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)CBr	29
+CC(C)(C)NS(=O)(=O)c1cn(c(Br)c1)CC2CCCCC2	653
+CC(C)(C)OC(=O)CON=C(c1nc(sc1Br)N)C(=O)O	617
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C(CCCBr)(C(=O)OC1CCCC1)C	552
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1noc2cc(c(cc12)Cl)CBr	29
+CC(C)(C)OC(N(c1c2nc(C(F)(F)F)c(n2c(Br)cc1)Cl)C)=O	2535
+CC(C)(C)OC(=O)N(C)C1CN(C1)c2ncc(Br)n3c2nnn3	6180
+CC(C)(C)OC(=O)N(CC)CCCBr	552
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)CCBr	552
+CC(C)(C)OC(=O)N1CC(C)(C)c2cc(c(Cc3ccc(cc3)F)cc12)Br	38
+CC(C)(C)OC(=O)N1CCC(CC1)CCCN2C(c3cccc(c3N=C2CBr)OC)=O	6181
+CC(C)(C)OC(N1CCC(C1)n2c(c(c3c(N)ncnc23)-c4ccc(cc4)Oc5ccccc5)Br)=O	653
+CC(C)(C)OC(N1CCN(CC1)c2c(nc(Br)cn2)Cl)=O	439
+CC(C)(C)OC(=O)N1CCc2cc(c(F)c(c12)C(O)=O)Br	38
+CC(C)(C)OC(=O)N1CCc2cc(Br)sc2CC1	407
+CC(C)(C)OC(N1Cc2n(CC1)c(Br)nc2C(OC)=O)=O	866
+CC(C)(C)OC(=O)N1CCn2c(nnc2Br)C1	3647
+CC(C)(C)OC(NC1C(CCC1)Nc2ncc(C(F)(F)F)nc2Br)=O	439
+CC(C)(C)OC(NCC1Cc2cc(cc(Cl)c2O1)Br)=O	38
+CC(C)(C)OC(=O)NCc1cc(Br)c(N)nc1C	203
+CC(C)(C)OC(Nc1c(c(c(CBr)c(OC)c1)OC)Br)=O	29
+CC(C)(C)OC(=O)Nc1ccc(cc1)CBr	543
+CC(C)(C)OC(=O)Nc1ccc2cc(C#N)ccc2c1Br	38
+CC(C)(C)OC(=O)Nc1sc2c(c(cc(c2)CBr)-c3cc(ccc3)[N+](=O)[O-])n1	543
+CC(C)(C)OC(=O)Nc1ncc(cc1)CBr	223
+CC(C)(C)OC(=O)c1cc(c(cc1)CBr)OC	29
+CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(=C(Cl)C=C(C2=O)Cl)CBr	3646
+CC(C)(C)OC(c1c(-c2ccc(cc2)CBr)cccc1)=O	29
+CC(C)(C)OC(=O)n1c(C(=O)OCC)cc2cc(cc(CBr)c12)Cl	223
+CC(C)(C)OC(=O)n1c(cc2c1c([N+](=O)[O-])cc(c2)CBr)C(OC)=O	29
+CC(C)(C)OC(n1ccc2cccc(CBr)c12)=O	223
+CC(C)(C)OC(C(=O)OC)c1nc(sc1Br)C	617
+CC(C)(C)OC(C1C(N(c2c(CC1)cc(Br)c(OC)c2)CC)=O)=O	38
+CC(C)(C)OC(C=1N2C(C(C2S(CC=1CBr)=O)NC=O)=O)=O	6182
+CC(C)(C)OC(COc1cc(Br)cc(c1N)[N+]([O-])=O)=O	38
+CC(C)(C)OC(=O)N(c1ccc(cc1)C#N)c2ccc(c(CBr)c2)Br	29
+CC(C)(C)OC(N1C(C(c2ccccc2)O)CCC1Cc3ccc(N)c(Br)c3)=O	38
+CC(C)(C)OC(N1CCC2(CC1)c3n(-c4c(O2)cc(cc4)CBr)c(cc3)C#N)=O	29
+CC(C)(C)OC(=O)N1CCCC(C1)Cn2c3nc(ncc3c(c2-c4c(cccc4Cl)Cl)Br)Cl	3648
+CC(C)(C)OC(N1CCN(CC1)c2cnc(Br)cc2)=O	408
+CC(C)(C)OC(N1CCN(CC1)c2nc(N)c(cc2)Br)=O	203
+CC(C)(C)OC(=O)N1CCOC(Cc2ccc(c(Br)c2)O)C1	38
+CC(C)(C)OC(N1CCc2n(C3CCOCC3)nc(N4CCCc5c4cc(c(Br)c5)C#N)c2C1)=O	38
+CC(C)(C)OC(N1CCc2c(CC1)oc(Br)c2)=O	1314
+CC(C)(C)OC(=O)NC(CC=C(F)F)COc1cc2N(C(=O)c3c(-c2cc1Br)ccnc3C)C	38
+CC(C)(C)OC(NC(Cc1ccc(cc1)C(=O)CBr)CCO)=O	3649
+CC(C)(C)OC(=O)NC(c1c(cc(N)c(Br)n1)Br)Cc2cc(F)cc(F)c2	408
+CC(C)(C)OC(NCCOc1c(OC)cc(-c2ccc3n(c(Br)c(C)n3)n2)cc1)=O	1975
+CC(C)(C)OC(=O)Nc1c(C(OC)=O)cc(s1)Br	407
+CC(C)(C)OC(=O)Nc1c(F)c(ccc1OCc2ccccc2)Br	38
+CC(C)(C)OC(=O)Nc1cc(OC)c(c(c1Br)OC)C	38
+CC(C)(C)OC(Nc1c(c2c(ccc(c2)C#N)c(OCc3ccccc3)c1)Br)=O	38
+CC(C)(C)OC(=O)Nc1c(Br)c2c(ccc(c2)S(=O)(=O)C)cc1	38
+CC(C)(C)OC(Nc1ccc2c(c1Br)cc(cc2)C(=O)C)=O	38
+CC(C)(C)OC(C(OC)=O)c1c(n2nc(c(Br)c2nc1C)-c3ccccc3)Cl	1976
+CC(C)(C)OC(c1ccc(cc1NC(=O)c2c(ccc(CBr)c2)OCOC)-c3ccccc3)=O	29
+CC(C)(C)OC(c1c(c2c(c(Br)ccc2o1)O)C)=O	38
+CC(C)(C)OC(n1c2c(cc1)c(Cl)c(CBr)cc2)=O	29
+CC(C)(C)OC(=O)n1ccc(n1)CBr	299
+CC(C)(C)[Si](C)(C)OC1CN(CC1Nc2c(nc(-c3ccc(nc3OC)C(C)C)c(C)c2)Br)C(OCc4ccccc4)=O	408
+CC(C)(C)[Si](C)(C)OCC(N1c2c(cc(c(n2)OC)CBr)C(=O)C(=C1)C(OCC)=O)C(C)C	223
+CC(C)(C)[Si](C)(C)OCCCN1C(N(C)c2sc(c(C)c2C1=O)Br)=O	407
+CC(C)(C)[Si](C)(C)OCCOc1cc(cc(CBr)c1)C	29
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1Cl)CBr	29
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c2c(c(C(NC3CCC(CC3)(F)F)=O)nn2-c4ccc(cc4Cl)Cl)CBr	3650
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-n2c(c(C(=O)NC3CCC(CC3)(F)F)nc2-c4ccc(Cl)cc4Cl)CBr	3651
+CC(C)(C)[Si](C)(C)Oc1cccc(c1)-c2nc(N3CCOCC3)nc4n(C(C)CC)c(nc24)Br	995
+CC(C)(C)[Si](C)(C)Oc1c2c(ccc(n2)C)c(cc1)Br	1977
+CC(C)(C)c1cc(CBr)cc(c1)Cl	29
+CC(C)(C)c1cc(CBr)nc(Cl)c1	299
+CC(C)(C)c1onc(N)c1Br	2536
+FC(F)(F)Sc1cc(C(C)(C)C)cc(Br)c1N	38
+CC(C)(C)c1cc(Br)ccc1O	38
+CC(C)(C)c1ccccc1Oc2nc(Br)ccc2N	408
+CC(C)(C)c1nc(sc1Br)N	617
+CC(C)(c1cc(Br)c(c(C=O)c1)O)C(OC)=O	38
+CC(C)C(N1CCC(CC1)CBr)=O	552
+c1cc(ccc1N2C(=Nc3c(ccc(c3Br)N)C2=O)C(C)C)Cl	38
+CC(C)C=1Oc2c(c(N)ccc2C(C=1c3ccc(cc3)Cl)=O)Br	38
+CC(C)CCCCCCBr	552
+CC(C)CN1C(=O)n2cnnc2-c3[nH]c(nc13)Br	866
+c1cc(ccc1)-c2nc(NCC(C)C)c3n(ccn3)c2Br	2533
+CC(C)COc1c(cc(cc1)Cl)CBr	29
+CC(C)N1C(C=CC(c2nc(c(nc2-c3ccccc3)N)Br)=N1)=O	439
+CC(C)Oc1ccc(cc1)-c2cc3c(Br)c([nH]c3cc2)C(=O)OCC	986
+CC(C)S(=O)(=O)c1ccc(cc1)-c2cnc(N)c(n2)Br	439
+CC(C)[Si](C(C)C)(C(C)C)n1c(c(-c2ccncc2)c(c1)Br)-c3ccc(cc3)F	986
+CC(C)c1c(n2ncc(Br)c2nc1C)Cl	1976
+CC(C)c1cc(Br)ccc1O	38
+CC(C)c1c(c[nH]c1Br)C(=O)OC	653
+CC(C)c1c(cc(C(OC)=O)[nH]1)Br	986
+CC(C)(Br)c1ccc2C(c3ccccc3C(c2c1)=O)=O	6183
+CC(C)c1nc(c(-c2c(nc(c(Br)n2)NC(C)COC)Cl)cc1)OC	439
+CC1(C)OB(OC1(C)C)c2c(cccc2CBr)C	29
+CC1(C)OB(OC1(C)C)c2c(CBr)cc(Cl)cc2	29
+CC1(C)C(=O)N2CC(CCC2C1)c3n4ccnc(Cl)c4c(Br)n3	794
+CC1(C)Oc2c(cc(Br)c(C)c2)NC1=O	38
+CC1(C)c2cc(c(cc2C(C)(C)CC1=O)C=Cc3cc(C)c(C(O)=O)cc3)CBr	29
+CC1(C)CC(=O)c2cc(c(cc2O1)OC)Br	38
+CC1(C)COC(c2c(c(OCC)no2)CBr)=N1	6184
+CC1(C)Oc2c(c(c(Br)c(c2C)C)C)C1	38
+CC1(C)C(C)(C)OB(O1)c2c3c(ccc2CBr)cccc3	29
+c1cc(ccc1C#N)C2=C(C(=O)C(C)(C)O2)Br	6185
+CC1(C)Oc2c(cc(cc2C1)Cl)CBr	543
+CC1(C)c2cc3[nH]c4ccc(Br)cc4c3cc2-c5ccccc15	38
+CC1(C)CCc2cc(c(cc12)Br)OC	38
+CC1(C)c2c(Br)c(c(C(C)=O)cc2CCC1)O	38
+CC1(C)c2cc(c(cc2CCC1=O)Br)OC	38
+CC1(C)CCC(C)(C)c2cc(c(cc12)Br)CBr	29
+CC1(C)CCc2c1cc(C=O)c(O)c2Br	38
+C(C)C(CC)Oc1c(NC)nc(c(Br)c1)I	203
+C(Br)(C(c1ccc2occc2c1)=O)C	2537
+CCCCn1c(Br)nc(c1N)C(=O)N	866
+CCCN(CCC)c1ccc(Br)c2NC(=O)N(C)c12	38
+c1(OCCC)c(-c2nc(c3c(n2)n(nc3C)CCC)O)cc(cc1)Br	38
+c1(Br)c(C)nc(C(OCC)=O)s1	617
+CCOC(=O)c1cn(c(Br)n1)CC=C	866
+CCOC(c1cccnc1CBr)=O	299
+CCOC(c1cc(Br)[nH]c1C)=O	653
+c1cc([nH]c1Br)C(=O)OCC	653
+c1(c(Cl)nccc1C(OCC)=O)CBr	223
+CCc1noc(N)c1Br	2536
+c12cnc(cc1n(CC)cc2Br)C(=O)OC	6186
+CN(C)C(c1c(ccs1)C)Cc2c(ccc(c2)Br)N	38
+CN(C)C(c1oc2c(F)c(c(C)c(c2n1)C#N)C(CBr)=O)=O	3649
+O(C)P(OC)(=O)Cc1c(CBr)nc2c(cc(cc2)Cl)c1	299
+COc1cccc([N+]([O-])=O)c1CBr	29
+COc1cccc(Cl)c1CBr	29
+c1c(OC)c(Cl)ccc1CBr	29
+COc1cc2OCCC(=O)c2cc1Br	38
+C(c1cc(OC)ccc1Br)Br	29
+C(Br)c1ccc(OC)cc1[N+]([O-])=O	29
+COc1ccc(-c2c3c(cc(OC)c(c3)OC)nc(CBr)c2C(C)=O)cc1OC	299
+COc1cc2C(Br)=CN(c3cccc(C#N)c3)C(c2cc1)=O	2538
+c1(c(OC)ccc(Br)c1OC)-c2ccccn2	38
+C[Si](C)(C)CCOCn1c(c(Cl)c2c(O)nncc12)Br	2539
+C[Si](C)(C)CCOCn1c(nc(c1)C(OC)=O)Br	866
+c1c(cc(c(Nc2c(ncc(CNC=O)n2)C(=O)OC)c1)F)Br	6187
+C(Br)c1cccc(Br)c1Cl	29
+c1c(C#N)ccc2c1c(c(c(CBr)n2)C(=O)OC)Cl	299
+C(c1cccc2ccsc12)Br	795
+c12c(nn(C)c1ncnc2Cl)CBr	299
+Cc1nccn2c(ccc12)Br	6188
+C(c1cc(C#N)cc(-c2onc(n2)-c3ncccc3)c1)Br	29
+Clc1cc(CBr)c(OCC#N)c(C)c1	29
+c1(cc(cc(C)c1[N+](=O)[O-])CBr)C	29
+c1cc(Br)c(cc1CBr)C(=O)O	29
+c1cc(I)c(Cl)cc1CBr	29
+c1c2c(nc(-c3cc(c(cc3)CBr)-c4cc(ccc4)C#N)o2)ccc1	29
+C(c1ccc(cc1F)C#N)Br	29
+C(c1ccc(cc1F)C(=O)OC)Br	29
+c1cc2c(ccc(NC(C)=O)n2)cc1CBr	29
+c1c(CBr)cc2c(occ2)c1	29
+C(c1cccc(c1Br)C#N)Br	29
+c1c(ccs1)-c2ccccc2CBr	29
+c1(CBr)c(-c2nnsc2)cccc1	29
+Clc1c(c(nc(c1)Cl)CBr)C#N	299
+Cc1nc2c(c(N)c1C(=O)OCC)c(c(Br)s2)-c3cc(ccc3)OC	407
+Cc1nc2ccc(Cl)cc2cc1CBr	223
+c1(F)cc2c(cc1)nc(c3c(nc(Br)n23)C)C	6189
+Cc1nc2c(c(C)c(Br)s2)c(N)c1C(=O)OCC	407
+Cc1nc(Br)c(nc1-c2ccc(Oc3nccc4c3cco4)cc2C)N	439
+ClC(Cl)=C(Cl)c1cc(CBr)cc(c1)C	29
+ClC(Cl)=C(Cl)c1cc(cc(C(Cl)=C(Cl)Cl)c1)CBr	29
+C(c1ccc(C#N)cc1Cl)Br	29
+c1(cc(Br)cnc1N)OCc2c(Cl)ccc(F)c2Cl	203
+C(c1cc(c(Cl)cc1C#N)[N+]([O-])=O)Br	29
+c1(c(c(Br)cc2CCN(CCc12)C(OCC)=O)N)Cl	38
+Clc1cc(cc(CBr)c1)Br	29
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(CBr)c2F)c1	29
+Nc1cc(Cl)c(Br)cc1C#N	38
+Nc1c(cc(Br)c(Cl)c1)[N+]([O-])=O	38
+Nc1cc(F)c(Br)c(Cl)c1	38
+C(c1ccc(OC(C)=O)cc1Cl)Br	29
+Clc1cc(c(CBr)cc1)C(=O)OCC	29
+c1c(Cl)c(c(c(N)c1[N+]([O-])=O)Br)Cl	38
+C(c1cc(cc(Cl)c1C(=O)OC)Br)Br	29
+c1c(Cl)c(c(cc1C(C)(C)O)Cl)Nc2nc3ccncc3c4c(O)ncc(c24)Br	3376
+Clc1cc(ccc1)Nc2ncc(Br)s2	617
+Clc1cc2c(c(C(=O)OCC)sc2cc1)CBr	795
+c1(Cl)ccn2c(ncc2Br)c1	973
+Clc1ccc(C(c2oc3cc(ccc3c2CBr)Br)=O)c(Cl)c1	6190
+Clc1ccc(CBr)nc1Cl	299
+Clc1ccc(CC)c(-c2[nH]c(-c3c(cnc(N)n3)Br)cc2C(=O)OCC)c1	1583
+Clc1cc(Br)c(N)c([N+]([O-])=O)c1	38
+Clc1ccc(c(Cl)c1)C2C(=C(N=C(c3ncccc3F)N2)CBr)C(=O)OCC	1093
+N1c2c(cc(Br)c(Cl)c2)CCC1=O	38
+Clc1ccc2c(c1)n(c(Br)c2Sc3cc(ccc3)C(=O)OCC)-c4cn(CCC)nc4	2539
+Clc1ccc2cnc(CBr)cc2c1CC(OC)=O	299
+Clc1cccc(-c2[nH]nc(c2Br)N)c1	875
+Clc1cccc(Oc2cc(ccc2OC)CBr)c1	543
+Clc1cccc(c1)-c2c(ccc(CBr)c2F)OC	543
+Clc1cccc(c1)-c2nn(-c3cc(CBr)c(Cl)cc3)cc2	29
+FC(F)(CCCCCCCCCCCCCCCC)C(=C)CBr	2534
+FC(F)(F)C(N1CC(C)c2cc(Br)c(cc2CC1C)OC)=O	38
+FC(F)(F)C(=O)N1CC(C)c2cc(c(OC)cc2CC1)Br	38
+FC(F)(F)C(NNc1ncc(nc1Cl)Br)=O	439
+FC(F)(F)C(N1C(=O)C(=C(C(=C1)Br)OC)C#N)C2CC2	6191
+FC(F)(F)C1(CC(C)(C)c2c(cccc2)CBr)OC1	29
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(CBr)c(c3)Cl	29
+FC(F)(F)C=1N(C(=O)N(C(C=1)=O)c2ccc3snc(-c4sccc4CBr)c3c2)C	795
+FC(F)(F)COc1cc(ccc1F)CBr	29
+FC(F)(F)COc1nc(Br)c(N)cc1Cl	408
+FC(F)(F)COc1c(CBr)cccc1Cl	29
+FC(F)(F)COc1cc(cc(Br)c1N)C(C(OC)=O)CC2CCC2	38
+FC(F)(F)Oc1ccc(cc1Br)C=O	38
+FC(F)(F)Sc1cnc(c(Br)c1)NC	203
+FC(F)(F)c1c(Cl)cccc1CBr	29
+FC(F)(F)c1c(c(C(=O)OC)ccc1)CBr	29
+FC(F)(F)c1c(N)c(cc(Br)c1)Cl	38
+FC(F)(F)c1c(Br)c(-c2ccc(cc2)-c3cc(ccc3)S(=O)(=O)C)n(CC(OCSC)=O)n1	875
+FC(F)(F)c1cc(cc(c1)CBr)-c2ccc(cc2)C#N	543
+FC(F)(F)c1cc(-c2nc3ccc(CBr)cc3s2)ccc1-c4ccccc4	29
+FC(F)(F)c1c(cc(Cl)c(c1)N)Br	38
+FC(F)(F)c1c2c(O)c(Br)ccc2nc(O)c1	38
+FC(F)(F)c1cc(cc(c1)C#N)Oc2c(ccc(CBr)c2F)Cl	29
+FC(F)(F)c1cc([N+](=O)[O-])c(c(c1)Br)NC	38
+FC(F)(F)c1cc([N+]([O-])=O)ccc1-c2ncc(CBr)cc2	223
+FC(F)(F)c1cc(c(c(CBr)c1)I)[N+](=O)[O-]	29
+FC(F)(F)c1c(c(Cl)cc(N)c1)Br	38
+FC(F)(F)c1cc(-c2oc(cn2)CBr)ccc1	3652
+FC(F)(F)c1c(CBr)ccc(C(=O)OC)c1	29
+FC(F)(F)c1cc(Nc2cc(cc(n2)Br)CBr)ncc1	29
+FC(F)(F)c1cc2c(Cl)c(C(OC)=O)c(CBr)nc2cc1	299
+FC(F)(F)c1ccc(c(c1)Br)CBr	29
+FC(F)(F)c1c(cc(c(Br)c1)N)F	38
+FC(F)(F)c1ccc(cc1)-c2c(ccc(c2)CBr)C(OC)=O	29
+FC(F)(F)c1ccc(cc1)-c2nc(CBr)c(C(OC)=O)cc2	299
+FC(F)(F)c1ccc(cc1)-c2c(Br)oc(CCOC(=O)C)n2	6192
+FC(F)(F)c1ccc(cn1)-n2c(Br)nc(c2-c3c(F)cc(cc3F)OC)Cl	866
+FC(F)(F)c1cc(-c2nc(CBr)ccc2OC)ccc1	299
+FC(F)(F)c1cc(ccc1)-c2nc3ccc(S(=O)(=O)C)cc3c(C(OC)=O)c2CBr	223
+FC(F)(F)c1cccc(c1)-n2c(C)c(Br)nc2OCC	984
+FC(F)(F)c1cc(ccc1)N2C(=C(N=C(C(=O)NC)C2=O)Br)C	6193
+FC(F)(F)c1cc(ccc1)-c2n3ncc(c3ncc2)Br	1976
+FC(F)(F)c1c2nc(c(n2ccc1)-c3cc(Oc4cccc(S(=O)(=O)C)c4)ccc3)CBr	3651
+FC(F)(F)c1cn2c(cc1)c(Br)c(-c3cc(F)ccc3)n2	6194
+FC(F)(F)c1cn2c(c(ccc2Br)NC)n1	2535
+FC(F)(F)c1cnc(NC)c(Br)c1	203
+FC(F)(F)c1cn2c(c(ccc2Br)N)n1	2535
+FC(F)(F)c1nc2c(c(Br)ccc2OC)[nH]1	6195
+FC(F)(F)c1nn(C(C)C)c(OC(F)F)c1CBr	3650
+FC(F)(F)c1n2CCC(Cc2nn1)c3nc(c4c(Cl)nccn34)Br	794
+FC(F)(F)c1nnc2n1CCN(c3nc(c4c(Cl)nccn34)Br)C2	794
+FC(F)Oc1c(c(-c2cc(CBr)c(cc2)Cl)nn1C)Cl	29
+FC(F)c1nc(Br)c(N)cc1	408
+C1(=C(N=C2N(C1=O)C=C(F)C=C2)CCl)Br	2521
+c1(c(ccc(c1)-c2cc(ccc2)OC)CBr)F	29
+[N+]([O-])(=O)c1cc(F)c(cc1F)CBr	29
+c1(cc(c(F)cc1C(OC)=O)CBr)F	29
+CCOC(c1c(cc(c(F)c1)CBr)F)=O	29
+Fc1cccc(F)c1COc2c3n(c(Br)c(C)n3)ccc2	973
+N#Cc1c2c(c(O)nc1)cc(Br)s2	6196
+N#Cc1ccccc1Oc2c(O)cc(c(Br)c2)C	38
+N#Cc1csc(CBr)n1	3653
+C(Br)c1ccc2c(nc(NC(C)=O)cc2)c1	29
+C(c1cc(N2C(=CC(=C(Br)C2=O)OCc3ccc(cc3CNC(OC)=O)F)C)c(C)cc1)(=O)O	2540
+c1c(ccc(COC2=C(Br)C(N(C(=C2)C)c3c(C)ccc(C(=O)O)c3)=O)c1F)F	2540
+N1(C=CC=C(C1=O)C(=O)NC(CC(OC)=O)c2sc(cc2)Br)Cc3ccc(F)c(F)c3	407
+N1=NN(c2c(c([N+]([O-])=O)ccc2)CBr)C(=O)N1C	29
+N1=NN(c2cccc(Br)c2CBr)C(=O)N1C	29
+N1=NN(c2cccc(Cl)c2CBr)C(=O)N1C	29
+N1=NN(c2cccc(I)c2CBr)C(=O)N1C	29
+N1=NN(c2c(c(ccc2)OC)CBr)C(=O)N1C	29
+N1=NN(c2c(c(ccc2)OCC)CBr)C(=O)N1C	29
+c1(cc2NC(CCc2cc1Br)=O)F	38
+c1(c(N)ccc(Br)c1F)C#N	38
+Nc1c(F)cc(Br)cn1	203
+c1(cc2c(s1)C(NCC2)=O)-c3cc(Br)cnc3N	203
+Nc1c(C(=O)OC)nc(Br)c(F)c1	408
+c1(C)cc(N)c2OCCc2c1Br	38
+c1(C)cc(N)c2c(CC(C)O2)c1Br	38
+Nc1cc(C)c(cc1[N+]([O-])=O)Br	38
+Nc1cc(c(cc1Br)Cl)OC	38
+Nc1c(c2n[nH]cc2cc1Br)C(=O)OC	38
+Nc1c(c(Cl)c(cc1)Br)C	38
+Nc1ncc(Br)c(C#N)c1	203
+Nc1ncc(Br)c(C)n1	1583
+Nc1ncc(Br)c(Cl)c1	203
+C(c1c(OC(C)=O)cc([N+]([O-])=O)cc1)Br	29
+C(OC)C(COC)(C(OC)=O)c1cc(c(O)c(c1)Br)C=O	38
+O(C)c1c(Cl)cc(c(F)c1[N+](=O)[O-])CBr	543
+O(C)c1ncc(Br)c(Cl)c1	203
+c1(cc(sc1OC)C(=O)OC)Br	2541
+O(CC)C(C(N1C(COc2c1cc(c(C)c2)Br)=O)C)=O	38
+O(CC)P(OCC)(=O)C(F)(F)c1ccc(CBr)cc1Br	29
+O(CC)P(OCC)(=O)C(F)(F)c1c(Cl)cc(CBr)cc1	29
+c1c(OC(C)=O)c(c2c(c1)C(=C(C(=O)O2)CBr)C)C	6197
+O(c1cccnc1C(=O)CBr)C	6198
+C1COC2(CCC(CC2)Nc3c(O)cc(Br)cc3)O1	38
+C1CC(CCC12OCCO2)c3nc(c(N)nc3)Br	439
+O1CCOC12CC3CCOc4cc(N)c(cc4C3(CC2)CC)Br	38
+O=C(C)OCC(COC(=O)C)c1ccc(c(c1)Br)N	38
+c1c(cc2NC(=O)CC3N(c2c1)CCNC3)Br	38
+O=C1c2c(C(=O)N1C(COc3cc4N(C(=O)c5c(ccnc5C)-c4cc3Br)C)CC(C)C)cccc2	38
+C1(=O)c2c(C(=O)N1c3ccc(CBr)c(F)c3)cccc2	29
+O=Cc1cc(cc(c1O)Br)C(=O)OC	38
+c1(ccc2C(=O)N(C=C(c2c1)Br)c3cc(c(cc3)C=O)OC)OC	2538
+O=Cc1cc(c(cc1N)OC)Br	38
+O=S(=O)(C)Nc1cc(Nc2ncc(Br)s2)ccc1	617
+O=S(=O)(Oc1ccc(Cl)c(c1)CBr)C	29
+O=S(=O)(c1cc(-c2sc(cc2)-c3nn(C)cc3Br)ccc1)C	875
+O=S(=O)(c1ccc(cc1CBr)C#N)CC	29
+O=S(=O)(Cl)c1c(cc(Br)cc1)CBr	29
+O=S(=O)(Cl)c1cc(CBr)ccc1	29
+O=S(=O)(N(C)C)NC(c1cc(F)c(cc1F)CBr)=O	29
+O=S(=O)(N(COC)c1cccc(-c2nc(sc2Br)N)c1F)c3c(F)ccc(F)c3	617
+O=S(=O)(c1cc2c(Br)cnn2cc1)N(C3CC3)c4ccc(C#N)cn4	3654
+O=S(=O)(Cl)c1cc2n(cc(Br)c2cc1)C	986
+O=S1(=O)Cc2cc(ccc2N1C)Br	38
+c1c(cc(CCO)c(c1)O)Br	38
+Oc1c2sccc2c3c(Br)c(OC)c(c(c3n1)F)F	1977
+CCOC(c1cc(Br)c(C)[nH]1)=O	986
+c12c(c[nH]c1ncnc2Cl)Br	3648
+Brc1c2cccnc2[nH]c1	1978
+Nc1c(cc(Br)c(-c2ncco2)n1)[N+](=O)[O-]	203
+C(c1cc(-c2nc3cccc(c3o2)C(OC)=O)ccc1)Br	29
+n1ccc(cc1-c2c(Br)n(CCc3ccccc3Cl)cn2)C#N	984
+n1c2n(c(c1-c3cc([N+]([O-])=O)c(C)cc3)Br)nc(OC)cc2	1975
+Nc1c(cc(Br)c(-c2cccnc2)n1)[N+](=O)[O-]	203
+c1(-c2ncon2)cc(F)c(CBr)cc1	29
+c1(C(=O)O)cc(-c2n(C)ncc2Br)c(Cl)s1	875
+C(Br)c1c(F)ccc([N+]([O-])=O)c1	29
+C(c1ccc(cc1Br)C(=O)OC)Br	29
+c1(CBr)c(ncc(Br)c1)C(=O)OC	223
+c1(cc(C)cc(c1)CBr)CC(O)=O	29
+c1(cc(-c2cnc(OC)c(OC)c2)cc(c1C(=O)OC)CBr)C	29
+C(Br)c1ccc(Cl)c(Oc2c(c(F)cc(c2)Br)Cl)c1F	29
+c1(CCCC)[nH]c(c(C=O)n1)Br	984
+c1(C=O)cc2c(Br)n[nH]c2cc1	6199
+O=Cc1cc(cc(C(=O)O)c1)Br	38
+C(Br)c1cc(cc(C)c1OC)Br	543
+c1(cccc(Cl)c1COc2cc(cnc2N)Br)Cl	203
+c1(Cl)cccc(Cl)c1N2C=C(Br)c3c(cnc(SC)n3)C2=O	3655
+c12n(c(Cl)cc(n1)Cl)ncc2Br	1976
+Fc1cc(cc(F)c1Br)N	38
+C(C(Br)c1cccc(F)c1)(OC)=O	2542
+c1(I)cc(ccc1F)CBr	29
+Nc1ccnc(Cl)c1Br	203
+Nc1c(Br)nc(-c2cc3cnn(C)c3cc2)cc1	408
+c1(OC)cc(CBr)cc(Br)c1	543
+c1(cc(cc(OC)c1CBr)C#N)OC	29
+C(Br)c1ccc(Cl)c(Oc2cc(cc(Br)c2)C#N)c1F	29
+C(c1ccc([N+]([O-])=O)cc1Cl)Br	29
+C(Br)c1ccc(OCC)cc1[N+]([O-])=O	29
+c1([N+]([O-])=O)cccc(-c2nc3c(o2)ccc(CBr)n3)c1	299
+c1(c(-c2ccncn2)cc(Br)c(n1)N)-c3occc3	203
+c1([N+]([O-])=O)cccc(c1CBr)Br	29
+Nc1c(C#N)c(C)c(Br)cn1	203
+c1c(cc(c(F)c1)C23COC(C)C2CSC(N)=N3)Br	6200
+COc1cnc2ccc(c(c2n1)CBr)F	223
+c1(O)c(cc(cc1F)Br)C=O	38
+Ic1c(CBr)cc(Br)cn1	223
+Nc1c(cc(cc1C)F)Br	38
+c1(ccc([N+]([O-])=O)c(c1C(=O)OC)CBr)Br	29
+C(c1cccc(c1C(=O)OC)Br)Br	29
+C(Br)c1cccc([N+]([O-])=O)c1Cl	29
+c1(c(F)ccc(Br)c1F)CBr	29
+C(Br)c1cccc([N+]([O-])=O)c1F	29
+c1(O)c(F)cc(cc1C#N)Br	38
+O(C)c1c(c(c(C(=O)O)cc1Br)O)F	38
+c1(c(cc(c(CBr)c1)C(=O)OC)[N+]([O-])=O)OC	29
+CCOC(c1c2c(c(CBr)cs2)c(Cl)nc1)=O	795
+c1(cc(cs1)-c2n(C)ncc2Br)C(=O)OC	875
+c1(cc(-c2c(Br)[nH]c(CC)n2)ccc1F)C	984
+c1(cc(CNc2nc(F)c(cc2)Br)cnc1OC)F	203
+O(C)c1c(C(=O)C)cc(Cl)c(C)c1Br	38
+c1(cc(F)ccc1)C2=CC(Oc3cc(ccc23)CBr)=O	29
+C(c1c(Br)c(C)cc([N+]([O-])=O)c1)Br	29
+c1(Cl)cc(cc(Cl)c1CBr)Br	29
+c1(cc2OCCC(C(c2cc1)=O)Br)N3CC(CNC(C)=O)OC3=O	2537
+c1(c(OCc2ncccc2)nc3c(c(Br)cn3C)c1)F	1978
+c1(c(c2c(cc(OC)cc2)cc1)Br)O	38
+c1(ccc(cc1F)CBr)C(=O)O	29
+c1c(cc(c(N)c1)Nc2cc(F)c(cc2)C(=O)OCC)Br	38
+c1(ccc(OC)cc1-c2nc3c(cccc3CBr)o2)OCOC	223
+c1(ccc(cc1Br)F)C2C(=C(N=C(c3sc(OC)cn3)N2)CBr)C(=O)OCC	1093
+c1c(nc(CC)c(c1)Br)N	203
+c1(cccc(F)c1)CN2C=CC(O)=C(Br)C2=O	2540
+c1(cccc(N=C2N(C=C(Br)S2)COC)n1)C(=O)OC	6201
+c1c([N+](=O)[O-])cc(cc1Br)[N+](=O)[O-]	38
+c12ccc(Br)c(c1cccc2)O	38
+c12ccccc1c(O)ccc2Br	38
+c1cc(c(cc1Br)CC)OC	38
+c1c(c(ncc1Br)N)Cc2ncccc2	203
+Clc1ccc(F)c(c1C(C)Oc2cc(Br)cnc2N)Cl	203
+Brc1sc(cc1)CCCCC	407
+o1c(Br)cc(c1C)C(=O)OC	1314
+c1(ccsc1CNC(=O)C)CBr	795
+c1(CO)cc(Br)sc1Cl	407
+C(C)OC(c1cn2ncc(C#N)c(Cl)c2c1CBr)=O	223
+Cc1nc(c2ccc(OC)cc2c1Br)O	203
+c1(nc(N)c2nc(n(C3CCCCO3)c2n1)Br)NC(CCC)C	995
+c1(cccc(CBr)n1)C(=O)OC	299
+n1c2c(occ2)ccc1CBr	299
+c1cc(Br)c2c3N(C(Nc13)=O)C(c4ncccc4)(C(=O)N)CO2	38
+c1(ncccc1)N2C=C(Br)C=CC2=O	6202
+c1c(Br)cc2c(N(CCC2)C)c1	38
+BrC=1c2n[nH]c(c2C(N(c3c(cccc3)C)C=1)=O)N	3655
+C(c1csc2cc(Cl)c(F)cc12)Br	795
+c12c(c(Cl)c(C(=O)OC)c(n1)CBr)cccc2	299
+c1(C)c2c(c(c(c(n2)O)C)C)c3OC(CBr)Cc3c1	6203
+c1c(c(O)c2c(ccc(n2)OC)c1Br)F	1977
+c1cc2scc(Br)c2cc1CO	2541
+c12nc(SC)ncc1cc(Br)c(O)n2	203
+Cc1nc2nc(ncc2cc1Br)NCCOC	203
+c1(c2c(c(cn1)Br)ncnc2)O	3656
+n1cc2ccc(C(=O)O)cc2c(Br)c1	203
+CCCCC1C(c2c(C1)c(c(O)c(F)c2)Br)=O	38
+c1cc2c(cc1F)c(cnc2N)Br	203
+C(Br)c1ccc2cccc(Br)c2n1	299
+n1c2c(ccc1CBr)cc([N+]([O-])=O)cc2	299
+c1cccc2ccc3c(cc(c4ccccc34)CBr)c12	29
+c12CCNc1c(F)cc(Br)c2	38
+c1(c(Cl)cc2n(c(Br)nc2c1)C3CC(C(C3OC(=O)C)OC(=O)C)COC(=O)C)Cl	3570
+c1c2c(ncc1CBr)sc(n2)-c3c([N+]([O-])=O)cccc3	223
+c1c(-c2cc(CBr)ccc2)csc1	29
+c1(Br)cccc(Br)c1CBr	29
+C(Br)c1c(cc(Br)c(C(=O)O)c1)F	29
+c1c(C#N)ccc2C(C(CCc12)Br)=O	2537
+C(Br)c1cccc(C)c1Cl	29
+c1(C)cc(cc(C)c1Oc2c3c(nc(Nc4ccc(cc4)C#N)n2)c(cn3C)Br)C#N	6204
+C(c1c(Br)c(C)cc(OC(C)=O)c1)Br	29
+COc1nc2c(-c3ccc(CBr)cn3)ccnc2cc1	223
+c1cc(Br)ncc1CBr	223
+c1cc(ncc1CBr)N2CCCC2=O	223
+c1c(CCCBr)c(F)c(Cl)cc1	552
+c1c(-c2ccccc2Cl)sc(n1)CBr	3653
+Clc1cc(c(cc1)Oc2c3c(cccc3)ccc2)CBr	29
+c12c(c(Br)ccc1)cc(Cl)nc2Cl	38
+c1c(Br)c(F)c(C#N)c(F)c1	38
+c1cc(CBr)c([N+]([O-])=O)cc1I	29
+c1c(NC(C)=O)c(cc2C3=C(C(CCC3(CCCC)Cc12)=O)Br)F	6205
+c1c(OC(CBr)=CC(OCC)=O)c2c(cccc2)cc1	3657
+c1(Oc2ccc([N+]([O-])=O)cc2Cl)cccc(C(=O)OC)c1CBr	29
+C(c1cc(c(C#N)cc1Br)F)Br	29
+c1c(c(C#N)cc(Br)c1O)F	38
+C(OC(=O)Nc1c([N+]([O-])=O)cc(cc1)CBr)C	29
+c1(F)c(Cl)cc(c(O)c1Br)C(=O)C	38
+n1c(c(Br)cc(c1N)[N+]([O-])=O)-c2c(cccc2)F	203
+c1(cc(Br)c(C#N)cc1NC)[N+]([O-])=O	38
+c1c(cc(c(CBr)c1)C(=O)OC)Br	29
+c1c(cc(CBr)c(C(=O)OC)c1)Br	29
+c1c(cc(CBr)c(Cl)c1)Br	29
+c1c(cc(CBr)c(I)c1)Br	29
+c1c(cc(CBr)cc1)C(NC)=O	29
+c1c(cc(CBr)cc1F)Br	543
+c1c(cc(c(CBr)c1)I)Br	29
+c1c(cc(c(CBr)c1)C(=O)OCC)Br	29
+c1c(cc(c(NC2=C(C(=O)OC)C=C(C(N2C)=O)Br)c1)F)Br	6206
+O1c2cc(c(Br)cc2CC1)Br	38
+c1c(cc2ccc(nc2c1)CBr)Br	299
+n1c(cccc1CBr)F	299
+Cc1c(Br)n2c(n1)ccc(Cl)n2	1975
+c1c2c(ccc1)CC(C2Nc3nc(c(nc3CC)Br)CC)O	439
+c1c2c(CBr)ccc(F)c2oc1	29
+COc1cc2c(c(ncc2Br)O)cc1	203
+c1cc2c(CCCN2)cc1Br	38
+c12ccc(cc1c3ccccc3n2C)Br	38
+c1cc2c(cc1CBr)c(Cl)ncc2	29
+c1c(c(OC)cc(c1)-c2nc3ccccc3o2)CBr	29
+c1cc2ccc(nc2c(CBr)c1F)OC	223
+c1cc2c(c(c1OC)Br)ccc(n2)C	1977
+C(C)OC(c1nc(Br)c2ccccn12)=O	6207
+CCOC(c1ccccc1CBr)=O	29
+c1(c(CBr)cccc1Oc2c(F)cccc2)OC	29
+c1cc(cc(OCCCOC)c1OCC)CBr	29
+C(OC)CCOc1cc(c(C)cc1OC)Br	38
+C(c1ccc2c(nccn2)c1)Br	29
+c1cc(CBr)ncc1Br	299
+c1cc2c(n(CC)cc2Br)nc1F	1978
+ClCc1cc(Br)c(O)c(C(=O)C)c1	38
+C(c1cc(ccc1[N+]([O-])=O)F)Br	29
+O=Cc1c(O)c(cc(C2CCOC2=O)c1)Br	38
+BrC1=CN(C(=O)C(C#N)=C1Cl)c2c(cccc2)C	6208
+c1cc(ccc1-c2c(-c3ccccc3)cc(C#N)c(n2)Cl)CBr	29
+c1cc(ccc1)-c2onc3c2cccc3CBr	223
+c1ccccc1-c2c(c(n[nH]2)CCC#N)Br	875
+c1ccccc1-c2cc3c(csc3cc2)Br	2541
+C1CC(CCC1CC=2OC(=O)NN=2)c3c(Br)c(N)n4c(n3)c(cn4)-c5cnc(cc5)-c6ccccc6	1583
+c1ccccc1-c2ncc(CBr)cc2	223
+c1ccccc1-c2cc3c4c(ccc(c4)-c5ccccc5)n6-c7ccc(cc7C(C)(C)c(c2)c36)Br	38
+c1ccccc1-c2nc(N)nnc2Br	6209
+c1cc(ccc1)-c2nc3c(c(c2CBr)C(=O)NN(C(=O)OC)c4ccccc4)cccc3	223
+c1cc(ccc1)-c2c3ccc(CBr)cc3no2	29
+c1ccccc1-n2c(c(C#N)c3c(O)c(nc(Br)c23)C(OCC)=O)-c4ccc(cc4)F	6210
+c1cc(ccc1)C(NC(=O)c2c3n(c(c2)Br)CCOC3)CC	653
+c1cc(ccc1)C(NC(=O)Nc2ncc3c(c2Br)[nH]nc3NCC)C	3656
+c1cc(ccc1)-c2nc3ccccc3c(C(NC(c4ccccc4)CC)=O)c2CBr	223
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(c5c4cc([N+](=O)[O-])c(c5)CBr)Br	29
+c1ccccc1C(c2ccccc2)=Nc3c(c(C(F)(F)F)c(cc3)C#N)CBr	29
+c1cc(ccc1)C=2C(N(c3c(c(O)c(C(OC)=O)nc3Br)C=2)C(c4ccccc4)C)=O	408
+C1CC(CCN1c2c(C#N)c3nnc(Br)n3cc2)c4ccccc4	6211
+c1cc(ccc1)C2CCc3c4c(NC(=O)N24)ccc3Br	38
+c1ccccc1CCC2=Cc3c(c(C(OC)=O)nc(c3N(C2=O)Cc4ccccc4)Br)O	408
+c1cc(ccc1)CCCCBr	552
+c1ccccc1OC(=CC(OCC)=O)CBr	3657
+c1cc(ccc1)Oc2c3c(O)c(nc(Br)c3ccc2)C(OC)=O	408
+c1ccccc1Oc2c3c(nc(c(O)c3ccc2)C(=O)OC)Br	408
+c1cc(ccc1)Oc2c3c(NC(CC3)C)ccc2Br	38
+O=S(=O)(c1ccccc1)n2c(CBr)c(cc2)C(=O)OCC	299
+c1cc(ccc1)Sc2cn3c(c(NC(=O)OC)nc3cc2)Br	973
+c1cc(ccc1OCCBr)-c2c(C#N)c3c(n2CC)cc(cc3)OC	552
+c1cc(ccc1Cl)-c2sc3c(C(=O)N(C(=O)N3C)CCC(OC)=O)c2CBr	795
+c1cc(ccc1-c2c(c(cnc2N)Br)CC)OC	203
+c1cc(ccc1-c2c(cnn2CC(NCCBr)=O)-c3ccc(cc3)C#N)C#N	552
+c1cc(ccc1-c2c(sc(Br)c2)CO)Cl	407
+c1cc(ccc1OC)-c2c(oc3ncnc(c23)NCCCCCC(OC)=O)Br	1314
+c1cc(ccc1-c2c3c(cc(CBr)cc3)nc(C#N)c2)F	29
+c1cc(ccc1-c2cc(C(=O)OC)nc3c(c(ccc23)CBr)F)F	29
+c1cc(ccc1-c2cc(CBr)cc(c2)Br)F	543
+c1cc(ccc1F)-c2c(Br)c3cccc(Cl)n3n2	3654
+Fc1cccc(F)c1CN2n3c(c(CBr)c(c3)-c4ccc(cc4)[N+](=O)[O-])C(N(c5cccc(c5F)OC)C2=O)=O	223
+c1cc(ccc1-c2c(ncnc2)C#N)CBr	29
+c1cc(ccc1F)-c2c(Br)c(nn2C)C	875
+c1cc(ccc1-c2nc(cc(OC)n2)C)CBr	29
+c1cc(ccc1-c2oc3cccc(CBr)c3n2)Cl	223
+c1cc(ccc1-c2c(c3c(o2)cc(N(S(=O)(=O)C)C)c(-c4ccc5ncc(Br)n5c4)c3)C(NC)=O)F	973
+c1cc(ccc1-c2c(CBr)cc(s2)C(=O)c3occc3)F	795
+c1cc(ccc1[N+](=O)[O-])-n2c(c3c(n2)N(Cc4c(F)cccc4F)C(N(c5c(c(ccc5)OC)F)C3=O)=O)CBr	299
+c1cc(ccc1C#Cc2cc3c(OC(C)(C)CC3(C)C)c(CBr)c2)CC(=O)OC	543
+c1cc(ccc1-c2oc(cc2)Br)C#N	1314
+c1cc(ccc1C#N)Oc2cc(c(cc2Br)F)OC	38
+c1cc(ccc1Oc2c(C(C)CC)c(OC)ccc2Br)C#N	38
+c1cc(ccc1C#N)Oc2ncc(CBr)cc2	223
+c1cc(ccc1C(C2CCC2)=O)CBr	29
+c1cc(ccc1C(=C)CBr)F	6212
+c1cc(ccc1C(C)=O)CBr	29
+c1c(ccc(N)c1Br)C(=O)C	38
+c1cc(ccc1C(O)=O)-c2sc(cc2)Br	407
+c1cc(ccc1C(OC)=O)C#CBr	6213
+c1cc(ccc1C(c2c(ccc(Br)c2)Cl)=O)CBr	29
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(CBr)n3nnnc3	6214
+c1cc(ccc1C(c2cc(CBr)ccc2)=O)Cl	29
+c1cc(ccc1Cl)C(=O)c2cc(Br)ccc2N	38
+c1cc(ccc1-c2c(F)cccc2)CBr	29
+c1cc(ccc1CBr)-n2cc(c(Cl)c2C#N)Cl	29
+c1cc(ccc1CBr)C(=O)Cl	29
+c1cc(ccc1OC(C(OC)=O)c2ccccc2Cl)CBr	29
+O=S(=O)(CC)c1ccc(cc1)CBr	29
+C1CC(CCO1)c2cc(c(cc2)OC)Br	38
+c1cc(ccc1C=CC(=O)OC)CBr	29
+c1cc(ccc1S(=O)(=O)C2CCOCC2)C(Br)C(OC)=O	2542
+c1(cc(c(cc1)CC)Br)C=O	38
+c1cc(ccc1C(C)Br)[N+]([O-])=O	3658
+Nc1ccc(CCC(N)=O)cc1Br	38
+c1cc(ccc1C(Br)CCOC)Cl	3658
+c1cc(ccc1CNC(=O)c2cc(c(Cl)nc2N)Br)OCc3ccccc3	203
+c1cc(ccc1-c2ccc(F)cn2)CBr	543
+c1cc(ccc1Cl)Cc2c([nH]c3c2cccc3)Br	2539
+c1cc(ccc1-c2c(CBr)cnc(F)c2)Cl	223
+c1cc(ccc1-c2c3c4c(cc2Br)ccc5c4c(ccc5)cc3)Cl	38
+c1cc(ccc1Cl)-c2n(c(C(CC)=O)c(c2C)Br)CC	986
+c1cc(ccc1-n2c(nc(Cl)c2-c3c(F)c(C#N)ccc3F)Br)Cl	866
+c1cc(ccc1Cl)C(c2c(Cl)cc(CBr)cc2)=O	29
+c1cc(ccc1Cn2ncc(-c3c(Br)sc(n3)Nc4ccccn4)c2)OC	617
+c1cc(ccc1-c2c(Br)n3c(n2)CCCC3)F	984
+c1cc(ccc1F)CNC(c2sc(Br)cc2C)=O	407
+c1cc(ccc1N2N(C)C(C)=C(C2=O)Br)F	6215
+C1CC2CCN1CC2Oc3nnc(-c4ccc(c(c4)Br)N)cc3	38
+O=S(=O)(CCc1ccc(N)c(c1)Br)N(C)C	38
+c1c(Br)c(ccc1C(=O)OCC)O	38
+c1cc(ccc1-c2cc(CCC)cc(Br)c2N)OC	38
+c1cc(ccc1OC)-c2c(Br)oc(CBr)n2	6216
+c1cc(ccc1OC)COc2c3n(c(c(n3)C)Br)cc(N4C(C=CC=C4)=O)c2	973
+c1cc(ccc1OC)N2C=C(c3cc(ccc3C2=O)OC)Br	2538
+c1cc(ccc1S(=O)(=O)N(c2c(cccc2C(OC)=O)CBr)C)OC	29
+c1cc(ccc1OCc2ccccc2)N(C(c3c(C)n(c(c3)Br)C)=O)C	653
+c1cc(ccc1Oc2cccc3c(O)c(C(OC)=O)nc(Br)c23)OC	408
+c1cc(ccc1Cl)Oc2ccc(cc2)C(C(OC)=O)Br	2542
+c1cc(ccc1CBr)Oc2c(cccc2)C(=O)OC	29
+c1cc(ccc1OC)-c2ccc(cc2)S(=O)(=O)Nc3c(Br)c(no3)C	2536
+c1cc(ccc1Cl)Sc2ncnc(C(Br)C)c2F	6217
+c1cc(ccc1-c2ccc(CBr)c(C(=O)OC)c2)[N+]([O-])=O	29
+c1cc(ccc1-c2c(c(C(=O)OC)[nH]c2Br)-c3ccncc3)F	653
+c1cc(ccn1)-c2cc(c3ccncc3c2)Br	38
+c1cnccc1-c2c(-c3occc3)nc(c(n2)Br)N	439
+c1(F)nc(NCc2c(Cl)cccc2)ccc1Br	203
+c1(cc2N(C(CCc2cc1Br)=O)C)F	38
+c1(F)c(cc2CCCOc2c1)Br	38
+C(c1cccc2ccc(cc12)F)Br	29
+c1ccc2c(cc3c(ccc(c3)CBr)c2)c1	29
+BrCc1c2c(ccc1)cccc2C	29
+c1cc(c(C)cc1Br)OCC(OC)=O	38
+N12CCCc3cc(cc(CC1)c23)Br	38
+c1ccc2c(sc(-c3c(N)ncc(c3)Br)n2)c1	203
+c1ccc2c(c(C(=O)OC)sc2c1)CBr	795
+C1(=O)c2ccccc2C(=O)N1C(C(F)F)CC(CBr)=C	2534
+c1nc2c(Cl)nc3ccccc3n2c1Br	6218
+c1ccccc1-c2cc(CBr)ccc2C(=O)O	29
+c1cc(ccc1)-c2c(c(C(OC)=O)c3c(cccc3)n2)CBr	223
+c1ccccc1-c2ccc(N)c(n2)Br	408
+c1cc(ccc1)-c2c(n3-c4cccnc4Nc5ccccc5-c3n2)Br	984
+c1ccccc1-c2nc3c(ccc(CBr)c3)o2	29
+c1ccccc1-c2ccc(cn2)-c3n(c(Br)nn3)-c4ccccc4Br	3647
+c1ccccc1-c2c3cc(CBr)ccc3no2	29
+c1ccccc1-c2nc3c(s2)cccc3CBr	223
+c1cc(ccc1C(=O)c2ccccc2)CBr	29
+c1cc(ccc1)C(CCBr)c2cccc(OC)c2	552
+c1ccccc1C=2C(N(c3c(nc(c(c3C=2)O)C(OC)=O)Br)CC4CCCCC4)=O	408
+c1ccccc1CC=2C(=O)N(Cc3ccccc3)c4c(nc(C(=O)OC)c(c4C=2)O)Br	408
+c1cc(ccc1)C2=Cc3c(c(C(=O)OC)nc(Br)c3N(Cc4ccccc4)C2=O)O	408
+c1ccccc1CNC(c2sc(Br)cc2C)=O	407
+c1ccccc1CNC(c2oc(Br)cc2C)=O	1314
+c1ccccc1CNC2=C(C(=O)N(C=C2)Cc3cccc(c3)F)Br	6219
+c1ccccc1COC(N2C(c3n4c(c(Cl)ncc4)c(Br)n3)CCC2)=O	794
+c1ccccc1COC(=O)N2C(C#N)CC(CC2)c3nc(Br)c4c(Cl)nccn34	794
+c1ccccc1COc2c(CC)cc(Br)c(c2)OC	38
+C1CCC(C1)c2c(Br)ccc(OCc3ccccc3)c2	38
+c1ccccc1COc2ccc3c(c(nc(Br)c3c2)C(=O)OCC)O	408
+c1ccccc1COc2cc(C(C)C)c(cc2)Br	38
+c1cc(ccc1)N2N(C(=C(C2=O)C(=O)OC)CBr)C	1093
+c1ccccc1N2C=C(CBr)C(c3c2cc(cc3)Cl)=O	6220
+c1cc(ccc1Nc2c(cc3c([nH]cn3)c2F)C(OC)=O)Br	38
+c1cc(ccc1Br)Nc2c(cc3[nH]cnc3c2Cl)C(=O)OC	38
+C1CC1C(=O)N2c3c(CCC2C)c(Oc4ccccc4)c(cc3)-n5ncc(Br)c5	875
+c1cc(ccc1)Oc2ccc(c(C)c2)Br	38
+c1cc(ccc1)Oc2cccc(CBr)c2OC	29
+O=S(=O)(c1ccccc1)n2c(CBr)c(C(=O)OC)c3c2ncc(Br)c3	299
+c1cc(ccc1)S(=O)(=O)n2cc(Br)c3cc(cnc23)-c4cnn(C)c4	1978
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3ccc(c(CBr)c3)Cl	29
+c12c([N+]([O-])=O)cccc1n(CC)cc2Br	986
+C(c1ccc(-c2occn2)cc1Cl)Br	29
+C(c1nccs1)N2C(C(Br)=CC(C(=O)OC)=C2C)=O	3644
+n1cccnc1-c2c(N)ncc(Br)c2	203
+c1nn(C)c2CCCC(c3n4ccnc(Cl)c4c(Br)n3)c12	794
+n1cn(C)c(Br)c1-c2cc(C#N)ccn2	984
+Cc1nc2n(c1Br)ccnc2Cl	973
+n1c(C#N)cn2c(cnc2c1SC)Br	973
+c1(C)nc(nc(C)c1Br)O	1583
+CCc1c(O)nc(C)c(Br)c1	203
+n1c(Cl)c(c(nc1Br)Cl)N	6221
+c1c(c2c(cc1F)nc(c(OC)n2)OC)CBr	223
+o1c(Br)ccc1-c2nc(cc(Cl)n2)-n3nccc3	1314
+Nc1ncc(C(=O)OC)nc1Br	439
+[N+](c1cc(Br)c2c(cccn2)c1)([O-])=O	6222
+n1c2c(n(c1-c3cc(Br)cnc3N)-c4cccc(c4F)F)ccnc2	203
+n1c2cccc(C(=O)OC)c2oc1-c3cc(Br)cnc3N	203
+c12c(c3c(cccc3)c(n1)CBr)cccc2	299
+n1cc(N)nc(-c2cc(F)ccc2)c1Br	439
+n1c(ccc(CBr)c1)F	223
+c1(Cl)nc(NC(COC)C)cnc1Br	439
+c1nc(ncc1)-c2cccc(c2)CBr	29
+n1n(c(nn1)-c2cc(Br)cnc2N)-c3cccc(c3F)F	203
+n1sc2c(c1-c3cc(CBr)ccc3)ncnc2O	29
+n1c(-c2nc(cnc2N)Br)oc3c1cncc3	439
+o1c(ncc1CBr)C(OCC)=O	3652
+c12c(cc(C#N)cc1)c3c(o2)c(c(O)c(F)c3)Br	6223
+o1c2c(c(c(cc2)Br)O)c(C)c1C(=O)OCC	38
+s1c(-c2ncc(CBr)cc2)nc3ccccc13	223
+c1(Br)sc2c(ccs2)c1C	407
+c1(Br)cnc(s1)-c2cc(c(F)cc2)C#N	617
+CC(C)C(C(=O)NC(C)C(O)=O)NC(=O)OCC=C	2445
+CC(C)(C)OC(=O)NOCCCCNC(COc1ccc2C(=CC(Oc2c1)=O)C)=O	1280
+c1(ccccc1Cl)-c2cc(OC)cc3N(c4c(ccc(C(=O)OC)c4)C)C(=O)CCc23	11
+C1CN(CCN1CC)Cc2c(C)cc(C(NC3C4c5c(ccc(Oc6ccnc7NC(CCc67)=O)c5)OC34)=O)cc2	14
+C1CN(CCN1Cc2ccc3ccccc3n2)CCCOc4ccc(C)c5NC(=O)CCc45	72
+C1CCCCC1c2cc(c(C(=O)CCC(O)=O)cc2)OC	882
+C1CN(CCN1C(CCC(O)=O)=O)c2nc(c([N+](=O)[O-])c(n2)N3CCS(CC3)=O)OCC	6224
+C(C(c1cc2CCOc2cc1)=O)CC(=O)O	882
+CC(C)(C)NC(CCC(O)=O)=O	2439
+CC(C)(C)OC(N1CCN(CC1)CCOC(=O)CCC(O)=O)=O	996
+CC(C)=CCCC(CCOC(=O)CCC(O)=O)C	996
+C1(=O)CCC(=O)N1CP(=O)(OC)CC(CC(C)C)C(NC(C(NC)=O)CC(C)C)=O	3566
+CN(C)CC(OCCCCCCCCC=CCC=CCCCCC)COC(CCC(O)=O)=O	996
+c1c(NC(CCC(=O)O)=O)c(c(C)cc1)C	1979
+c1c(c2c(cccc2)cc1)NC(CCC(=O)O)=O	1979
+O=S(=O)(N)c1c(cc(NCc2occc2)c(C(OCCCOC(CCC(=O)O)=O)=O)c1)Cl	996
+c1(F)cccc(F)c1Nc2n(c3c(n2)cnc(NC4CCC(CC4)OC(=O)CCC(=O)O)n3)C5CCCC5	996
+c1c(cc(c(OC)c1)OC)C(=O)CCC(O)=O	882
+C(C(c1cc(CC)c(cc1)OC)=O)CC(=O)O	882
+c1c(Oc2cccc3sncc23)c(cc(c1)Nc4ncnc5c4n(CCOC(CCC(=O)O)=O)cc5)Cl	996
+c1cc(ccc1)C(NC(=O)c2c(c(nc3c2cccc3)-c4ccccc4)OCCNC(=O)CCC(O)=O)CC	2439
+c1cc(ccc1C(=O)CCC(O)=O)NC(=O)C	882
+c1cc(ccc1C2(C(=O)NC(NC2=O)=O)N3CCN(CC3)c4ccc(cc4)NC(=O)CCC(O)=O)-c5ccccc5	1979
+c1cc(ccc1COC(CCC(O)=O)=O)Nc2cc(-c3c(ccc(Cl)c3)OCC)nc(N)n2	996
+c1cc(ccc1N2C(=O)OC(CNC(c3ccc(s3)Cl)=O)C2)N4C(C(CCCOC(=O)CCC(=O)O)OCC4)=O	996
+C(C(c1cc(C)c(cc1)OC)=O)CC(=O)O	882
+c1cc(ccc1C(=O)CCC(O)=O)CC(C)NC(=O)C	882
+c1ccccc1OCC2OCCN(S(=O)(=O)c3c(C(N)=O)[nH]c4c(cc(Cl)cc34)NC(CCC(O)=O)=O)C2	6225
+c1cc(ccc1C(=O)CCC(O)=O)SC	882
+C1CC(c2c1c(cc([N+]([O-])=O)c2O)Br)=O	77
+C1CC(=O)c2cc(c(c([N+]([O-])=O)c12)N)Br	106
+C1(c2c(CC1)c(N)c(c(c2)Br)N)=O	0
+C1C(C(c2cc(cc(C)c12)F)=O)=NO	3659
+C1c2c(cc(cc2Cl)F)C(C1)(O)CC(OCC)=O	3660
+c1c(Br)cc2c(C(N(C3(C)CCC(=O)NC3=O)C2)=O)c1	3573
+C(NC(C)=O)C1CCC(C(=O)O)C1	206
+c1cnc(Cl)c(CNC(C2CCC3N(C(=O)COC3)C2)=O)n1	9
+C1CC(CN2C(c3c(cnc(F)c3)CCC12)=O)C(Cl)=O	130
+c1cnc(Cl)c(CNC(C2CCC3CCOC(=O)N3C2)=O)n1	9
+C1CC(Cc2[nH]c3c(c12)c(ccc3C(=O)N)Br)C(N(OC)C)=O	164
+c1cc(ccc1NC(=O)C2CCc3c(C2)sc4c3c(Nc5cc6c(cc5)[nH]nc6)ncn4)C#N	33
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4C(CCCC4)C(O)=O	2543
+c1cc(ccc1-c2cnc3c(cccc3)c2SC4C(C)OCC4)OC	796
+c1c2NC(C(CCc2c3ccccc3c1)N)=O	1584
+C12CC(CCC1(C)C3C(O)CC4(C(CCC4C3CC2)C(O)=O)C)O	100
+C1CC(C(OCC)=O)Cc2sc3ncnc(c3c12)Nc4cc5c[nH]nc5cc4	1500
+C1CC(C(=O)O)Cc2sc3ncnc(c3c12)Nc4cc5c[nH]nc5cc4	3
+C1CC(CCC1(C)C)CNCc2ccccc2	110
+c1cc(ccc1)COP(OCc2ccccc2)(=O)OCOc3c(c(O)nc(CC4CCC(C)(C)CC4)c3)-c5ccccc5	175
+N#CC1CCC(C)N1C(=O)CCl	143
+c1c(Br)ccc2cc(ccc12)OCCN3CCCCC3C	20
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCN4C(C)CCC4C	53
+c12CCC3C4CCC(C4(C)CCC3c1ccc(OC)c2)=C	297
+O=S(=O)(NC1CC(c2c(OCOC)cc(cc2)OCOC)CCC1)C	111
+O=C(O)C1(C(=O)O)CCc2c(C1)c3c(cccc3)n2C(=O)c4ccccc4	6226
+C1CC(CCC1(NC(Cc2cc(ccc2C)-c3ccc(Cl)c(c3)F)=O)C(OC)=O)(F)F	188
+C1CC(CCC1Oc2ccc(cn2)NC(=O)c3nnc(Nc4ccc(Cl)cc4Cl)o3)(C(=O)OCC)C	3661
+c1ccccc1COc2ccc(cc2)C=3CCC(C)(C)CC=3	252
+C1CC(C)(C)CCC1C=O	1143
+C1CC(CCC1(C)C)NC(c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)=O	14
+C1CC(CCC1(C)C)NC(c2ccc(cc2)Oc3cc4c(cc3Cl)C(C(=O)O)CCO4)=O	3
+C1CC(CCC1(C)C)c2sc3nc(C)nc(c3c2)C(=O)O	6
+C1CC(CCC1(C)C)c2sc3nc(nc(c3c2)CO)C	194
+C1CC(CCC1(C)C)c2cc3c(C(=O)OCC)nc(nc3s2)C	6227
+C1CC(CCC1(C)C)c2cc3c(C(=O)OCC)nc(nc3s2)C	3662
+C1CC(CCC1(C)C)c2cc3c(nc(C)nc3s2)C(=O)N4CCC(CC4)(O)C	147
+C1CC(CCC1c2cc3c(nc(nc3Cl)C)s2)(C)C	779
+C1CC(CCC1O)(C)O	100
+C1CC(CCC12CC(NC2)=O)C(OCC)=O	1980
+C1CC(CCC1(F)CO)(C#N)NC(=O)OCc2ccccc2	101
+C1CC(CCC1(CO)F)(N)C#N	661
+C1CC(F)(F)CCC1C(C)(C)C(O)=O	3
+FC1(F)CCC(CC1)C(C)C(OCC)=O	2544
+C1CC(CCC1CNc2c([N+]([O-])=O)cc(NC(=O)C)cc2)(F)F	60
+C1CC(CCC1(F)F)NC(c2nn(-c3c(Cl)cc(cc3)Cl)c(-c4ccc(cc4)OCc5ccccc5)c2C)=O	81
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-n2c(nc(C(NC3CCC(CC3)(F)F)=O)c2C)-c4c(Cl)cc(cc4)Cl	154
+C1CC(CCC1(F)F)NC(=O)c2c(C)n(-c3ccc(cc3)O)c(n2)-c4c(Cl)cc(cc4)Cl	16
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c2c(C)c(C(NC3CCC(CC3)(F)F)=O)nn2-c4c(Cl)cc(cc4)Cl	154
+C1CC(CCC1(F)F)NC(c2c(C)c(-c3ccc(cc3)O)n(-c4c(Cl)cc(cc4)Cl)n2)=O	16
+CC(C)(C)OC(N1CC(c2ccc(cc2)NC(OC3CCC(F)(F)CC3)=O)CC1)=O	589
+C1CC(CCC1(F)F)Oc2cc(c(C(=O)NS(=O)(=O)N3CCC3)cc2C4CC4)F	258
+C1CC(CCC1(F)F)Oc2cc(F)c(C(=O)O)cc2C3CC3	1
+C1CC(CCC1C(O)Cc2ccccc2)(c3cccc(F)c3)N(C)C	6228
+CN(C)C1(CCC(CC1)(C)C=NO)c2ccccc2	410
+C1CC(CCC1(N(C)C)c2ccccc2)(C=O)C	6229
+C1CC(CCC1(N(C)C)c2cccnc2)CCOS(=O)(=O)C	7
+CN(C)C1(CCC(CC1)CCNC)c2cccnc2	285
+FC1(F)CCC2(CC1)C(=C(C(N2)=O)c3c(C)ccc(c3)-c4cc(c(Cl)cc4)F)O	997
+C1CC(CCC1CO)(O)C=C	44
+C1CC(CCC1C(OCC)=O)(O)C=O	1981
+C1CC2(CCC1(c3ccccc3)N(C)C)c4c(CCC2)c5c(ccnc5)[nH]4	6230
+C1CC(CCC1(O)CCN2CCC(C(C)C2)O)NC(=O)c3[nH]c4c(c3)c(ccc4)OCCc5c(OC)cccc5	81
+C1CC(CCC1NC(=O)c2cc3c(OCCc4cccnc4OC)cccc3[nH]2)(CCN5CCC(O)C(C5)C)O	81
+C1C(c2cccc(c2F)F)=CCC(CCCCC)C1	252
+C1CC(CCC1(c2c(cc(Br)cc2)C)O)C(NC3CCC(CC3)O)=O	9
+C1CC(CCC1(O)c2c(cc(Br)cc2)C)C(=O)O	3
+C1CC(CCC1NC(=O)C2CCC(c3c(cc(cc3)Br)C)=CC2)O	252
+C1CC(CCC1C(NC2CCC(CC2)O)=O)(c3c(cc(-c4ccc(C(=O)NC)nc4)cc3)C)O	391
+C1CC(CCC1OC)(C#N)c2c(F)ccc(F)c2	76
+c1cc(ccc1F)C2(CCC(CC2)=O)COC(C)=O	152
+c1(C=2CCC(CC=2)CCC)ccc(cc1F)Br	252
+C1CC(CCC1(N(C)C)c2cccc(F)c2)C=O	3663
+O1CCOC12CCC(CC2)(C#N)c3cccnc3	381
+FC(F)(F)c1cc2CN(CCc2cc1)C(C3(CC(NC4CCC(CC4)(c5cncs5)O)CC3)C(C)C)=O	87
+C1CC(CCC1)(C(N)=O)NC(=O)c2c3n(c(c(cn3)-c4ccccc4Cl)-c5ccc(cc5)Cl)nc2	645
+c1cc(ccc1I)N2C(NC(=O)C23CCCCC3)=O	6231
+C1CCCCC1(C(NC2CCN(c3ccccc3-n4nnnc4)CC2O)=O)NC(c5cc6ccccc6o5)=O	797
+C1CC(CCC1)(C(=O)NC2CCN(CC2O)c3ccccc3N)NC(=O)c4oc5ccccc5c4	0
+C1CC(CCC1)(C(=O)NC2CCN(CC2O)c3ccccc3[N+](=O)[O-])NC(=O)c4oc5ccccc5c4	34
+C1CCCCC1(NC(Cc2cc(ccc2C)Br)=O)C(=O)OC	188
+C1CCCCC1(C(=O)O)NC(c2occc2)=O	4
+C1CCCCC1(C(OCC)=O)CN	3664
+C1CN(CCC1OC(=O)NC2(CCCCC2)C(=O)NC(C(C(NC3CCCCNC3=O)=O)O)C(C)C)C(OC)=O	9
+COc1c(C(=O)C2=CCCCC2)cc(C)cc1C	6232
+C1CC(CCC1)(C)c2c(ccc(F)c2)O	957
+C1CC(CCC1)(CC(O)=O)CNC(=O)OC(Cl)C(C)C	101
+C1CCCCC1(CNC(=O)OC(Cl)C(C)C)CC(=O)OC	167
+C1CC(CCC1)(CNC(c2c([N+](=O)[O-])cccc2)=O)CC(=O)OC	93
+C1CC2(CCC1)CN=C3N(C2)c4ccc(S(=O)(=O)N5CCCC5COC)cc4C3=O	6233
+C1CCCCC1(N)CNc2c3c(ncc2[N+](=O)[O-])cccc3	105
+C1CC(CCC1)(CNC(c2c(cccc2)N)=O)CC(=O)OC	0
+C1CC(CCC1)(CC(OC)=O)CN2C(Nc3c(C2=O)cccc3)=O	6234
+C1CCCCC1(CNc2c(cnc3cccnc23)N)O	13
+CC(C)[Si](C(C)C)(C(C)C)OCC1(CCCCC1)N	19
+c1ccccc1CN(Cc2ccccc2)c3nc(C)c(c(NCC4(CCCCC4)O)c3[N+](=O)[O-])C	43
+C1CC(CCC1)(O)Cn2c3c(c(nc4cccnc34)N)nc2CCC	461
+C1CCCCC1(C)c2c(Cl)nn3c(-c4c(cc(F)cc4)F)nnc3c2	1968
+C1CC(CCC1)(N=[N+]=[N-])c2cc(C(C)C)ccc2	6235
+CN(C)C(=O)C1(CCCCC1)c2ccc(Cl)c(c2)Cl	10
+c1cc(ccc1F)C2(CCCCC2)CCC(=O)OCC	783
+C1CC2(CCC1)ON=C(c3cnc4c(c3NC5CC5)cnn4CC)C2	6236
+C1CC(CCC1)=CCCCCCO	21
+C1CC(CCC1)=CCCCCC(O)=O	4
+C1CC(CCC1)CCCCCCO	1101
+C1CCCCC1C#Cc2cc(cnc2N)Br	2341
+C1CC(CCC1)c2cc3c(ccc(c3)[N+]([O-])=O)n2S(=O)(=O)C	3231
+C1CCCCC1C#Cc2nc(Br)cnc2N	3665
+C1CC(CCC1)C(=O)C(CC=O)c2ccccc2	598
+C1CN(CCN1CCC(C(C2CCCCC2)=O)c3ccccc3)c4ccccc4OC	61
+C1CCCCC1c2noc(c2)N	2459
+C1CCCCC1c2oc(C)c(C(OC)=O)n2	3666
+C1CCCCC1C(=O)NCCNCc2c(ccc(C(c3ccccc3)=O)c2)N	42
+C1CC(CCC1)CC2C(O)=C(C(=O)O2)C(=O)C3CCCCC3	6237
+C1CC(CCC1)C(n2c3c(cc(c(F)c3)F)nc2-c4ccc(cc4)Cl)C(=O)OCC	6238
+C1CC(CCC1)C(c2n(nc3c2CCCCC3)-c4ccc(cc4)Cl)C(=O)OCC	2545
+C1CC(CCC1)C(C(=O)OCC)c2c3CCCCc3nn2-c4ccc(cc4)Cl	2545
+C1CCCCC1C(c2c3c(nn2-c4ccc(cc4)Cl)CCCC3)C(O)=O	3
+C1CC(CCC1)C2NC(c3c(OCC)cc(cc3)OC)=NC2c4ccc(cc4)Cl	6239
+C1CCCCC1C(N)CO	21
+c1cc(ccc1-n2c(c3CCCc3n2)C(C(OCC)=O)C4CCCCC4)Cl	2545
+c1cc(ccc1Cl)-n2c(C(C(=O)O)C3CCCCC3)c4ccccc4n2	3
+C1CCCCC1C(C2CCCCC2)CC(=O)NCC(OC(C)(C)C)=O	726
+C1CCCCC1C(n2c3c(nc2-c4ccc(cc4)Cl)cc(c(F)c3)F)COc5cccnc5	458
+c1cc(ccn1)OCC(C2CCCCC2)n3c4c(nc3-c5ccc(cc5)Cl)cc(c(c4)F)F	8
+C1CCCCC1C(C(C(OCC)=O)Cl)=O	3667
+Clc1cc(cc(Cl)c1CN2C(=O)C(CC2)C3CCCCC3)OC	1553
+C1CCCCC1C(NC(=O)c2c(N)cc(-c3cc(c(OC)cc3)F)cc2)C(OC)=O	0
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(-c3ccccc3)nc4c(cc(F)cc4)c2C(=O)NC(C5CCCCC5)C	619
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+C1CC(CCC1)C(NCCc2c3cc(C=O)ccc3sc2)=O	674
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+C1CCCCC1c2nc(C)c(C(=O)OCCC(C)=C(F)F)s2	1986
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+CC(C)(C)C(C(N1CCC(CC1)(O)c2ccccc2)=O)NC(=O)OC(C)(C)C	10
+C1CN(CCC1(c2ccccc2)O)CCC(c3ccc(c(Cl)c3)Cl)CN(C)C(=O)c4ccccc4	61
+C1CN(CCC1(OC)C)C(c2c(ccc(Cc3c4c(c(O)nn3)cccc4)c2)F)=O	1997
+C1CC(CCN1c2ccc(cc2)C(=O)OCC)(CCCC)OC	34
+FC(F)(F)c1ccccc1CCN2CCC(CC2)(c3ccccc3)C#N	123
+c1cc(ccc1)C2(CCN(CC2)CCCC(=O)c3cc4CCC(Nc4cc3)=O)C(C)=O	53
+C1CN(CCO1)c2nc(nc3c(c[nH]c23)C4=CCNCC4)-c5cccc(c5)OCc6ccccc6	6307
+FC(F)(F)C(=O)N1CCC(CC1)=O	520
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N2CCC(CC2)=O	92
+FC1(F)Oc2c(O1)c3[nH]c4CCNCc4c3cc2	518
+c1c(F)c(c(cc1[N+](=O)[O-])F)N2CCC(CC2)=O	34
+C1CN(CCC1=O)CC#N	1321
+N1Cc2c([nH]c3c2cccc3[N+]([O-])=O)CC1	518
+C1CN(CCC1=O)c2nc(N)ccn2	117
+O(CC)P(OCC)(=O)CCN1CCC(CC1)=O	28
+C1CN(CCC1=O)S(=O)(=O)c2cccc(Cl)c2	92
+c1cc(ccc1C(NCc2sc(cc2)S(=O)(=O)N3CCC(CC3)=O)=O)Cl	1147
+c1cccc2[nH]cc(c12)C=3CCNCC=3	888
+C1CC(CCN1Cc2ccc(Cl)c(Cl)c2)=O	171
+c1ccccc1-c2[nH]c3ccccc3c2C=4CCNCC=4	888
+CC(C)(C)c1nc2cc(N3CCC(CC3)C)c([N+]([O-])=O)cc2s1	1998
+FC(F)(F)c1ccc(-c2nc3ccc(nn3c2)N4CCC(CC4)C)cc1NC(C(C)(C)C)=O	212
+C1CN(CCC1C)CC=2Oc3c(cc(Br)cc3)C(C=2)=O	6308
+C1CC(CCN1c2nc3ccc(cc3c(C)c2)Br)C	286
+C1CC(CCN1c2nc(ccc2[N+]([O-])=O)Cl)C	43
+C1CC(CCN1CCOc2ccc(cc2)-c3nc4c(cc(C5=NNC(=O)CC5CC)cc4)o3)C	61
+c1cc(ccc1-c2ccc(cc2)NC(C=Cc3ccc(cc3)CN4CCC(CC4)C)=O)Cl	48
+C1CC(CCN1C=O)C(=O)N2C(C)COc3cc(C(OC)=O)ccc3C2	3695
+C1COCCN1c2c3c(cc(CN4CCC(CC4)C(=O)NC)s3)nc(Cl)n2	509
+CC(C)(C)OC(N1CCC(CC1)C(c2ccccc2)=O)=O	23
+C1CC(CCN1c2ccnc3ccc(F)cc23)C(C(OCC)=O)CC	264
+C1CC(CCN1Cc2ccc3nc(Cl)nc(N4CCOCC4)c3n2)C(C)(C)O	596
+CC(C)(O)C1CCN(CC1)c2ncc(cc2C)C=3c4c(C(N(CC)C=3)=O)cc(OC)c(OC)c4	361
+C1CN(CCC1C(=O)C)c2c(nnc(c2)Cl)Cl	2558
+c1cc(ccc1N2CCC(CC2)C(=O)N(OC)C)Cl	79
+C1CC(CCN1)CN2Cc3cc(OC)c(OC)cc3CC2	15
+C1CC(CCN1C(C)=O)C(=O)Nc2cc(ncn2)-c3ccccc3OCC	58
+c1cc(ccc1)CN2CCC(CC2)C(Nc3cc(ncn3)-c4ccccc4OCC)=O	131
+CC(C)OC(c1cc(C#N)c(nc1C)N2CCC(CC2)C(=O)O)=O	43
+C1CN(CCC1C(O)=O)C(OCC)=O	66
+C1CNCCC1c2nc3c([nH]2)cc(cc3)Br	442
+C1CNCCC1c2oc3c(n2)cc(cc3F)Br	1824
+C1CC(CCN1C2=NC(=O)CS2)C(=O)O	6309
+c1cc(ccc1)-c2nc(nc(n2)N3CCC(CC3)C(=O)O)NC	436
+C1CC(CCN1C(c2ccccc2)=O)C(O)=O	115
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCC(CC4)C(=O)O	85
+C1CC(CCN1c2c(c(c(-c3ncc(CC)o3)cn2)SC)Cl)C(=O)OC	43
+C1CN(CCC1C(=O)OC)CCc2c([nH]c3ccccc23)-c4ccccc4	123
+C1CN(CCC1C(=O)OC)CCCCCn2c(nc3c(nc(nc23)OCCCC)N)OC	28
+C1CN(CCC1C(=O)OC)c2nc(-c3cc(ncc3)Cl)cc4c2ccnc4	43
+c1cc(ccc1)C(C(OC)=O)C2CCN(CC2)c3ncccn3	117
+n1cc(cnc1N2CCC(CC2)C3(C)Oc4ccc(cc4C3)Br)C5CC5	117
+C1CN(CCC1C=Cc2c(F)cccc2)Cc3c(ncc(c3)Cl)OC	565
+Clc1cc(cc(Cl)c1)COC(N2CCC(CC2)CC(=O)O)=O	66
+C1CC(CCN1C(C)=O)CC(NC(=O)C2CCCCC2NC(c3n(C)c4ccccc4c3)=O)C#N	319
+C1CN(CCC1CC(C)(C)C(OC)=O)c2ncc(cc2)[N+](=O)[O-]	43
+CC(C)(C)c1cc2N(CCCN3CCC(CC3)CCCC)C(=O)COc2cc1	53
+C1CN(CCC1CCCC)CCCN2C(=O)COc3c(c(c(cc23)Cl)CC)Cl	53
+C1CN(CCC1CCCC)CCCN2c3c(c(F)c(cc3)F)OCC2=O	53
+C1CN(CCC1CCCC(=O)N)C(N(C(=O)Oc2ccccc2)c3nccc(c3)Oc4cc5ccn(C(=O)NC)c5cc4)=O	2559
+C1CC(CCN1C(N(C(=O)Oc2ccccc2)c3nccc(c3)Oc4cc5ccn(C(=O)NC)c5cc4)=O)CCCC(OCC)=O	2559
+C1CC(CCN1S(=O)(=O)c2cc3ccccc3cc2)CCCCNC(CCc4cnccc4)=O	92
+C1CC(CCN1C(c2ccc3c(cccc3)c2)=O)CCCCNC(CCc4cnccc4)=O	115
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCO	23
+C1CN(CCC1)CCCN2CCC(CC2)CCCN3C(=O)c4c(N=C3C)c(OC)ccc4	53
+C1CC(CCN1C#N)CCCO	739
+n1cc(cnc1N2CCC(CC2)CCCO)CC	117
+C1CC(CCN1C(OC)OC)CCCn2ccnc2	6310
+C1CN(CCC1CCO)CCCN2c3cccc(SC)c3Sc4c2cc(cc4)OC	53
+C1CC(CCN1C(CCc2ccccc2)=O)CCO	10
+c1cc(ccc1F)CN2CCC(CC2)CCO	48
+c1cc(ccc1)C(N2CCC(CC2)CCO)=O	115
+c1cc(ccc1)C(c2ccccc2)C(=O)N3CCC(CC3)CCO	10
+C1CC(CCN1c2nc3c(cccc3)cc2)CCO	286
+C1CN(CCC1CN2C(=O)C=C(Nc3ccc4c(CCC4)c3)NC2=O)C(c5c(onc5)C)=O	2560
+C1CC(CCN1)CN2C(=O)NC(=CC2=O)Nc3ccc4c(CCC4)c3	6311
+C1CC(CCN1)CNC(Nc2c(N)ccc(c2)-c3cccs3)=O	0
+C1CN(CCC1CNC(=O)Nc2c([N+](=O)[O-])ccc(c2)-c3cccs3)C(C)=O	319
+C1CC(CCN1CC2(CCOCC2)O)CNC(OCc3ccccc3)=O	170
+CC(C)(C)OC(N1CCC(CC1)CNc2cc(ncc2Cl)N)=O	23
+C1CN(CCC1CNc2nc3c(C(=O)OC)cccc3[nH]2)Cc4cc(Cl)cc(c4O)Cl	48
+c1nc(ncc1F)NCC2CCN(CC2)C(C3C(c4ccccc4)C3)=O	10
+C1CCCN1CCOCC2CCN(CC2)c3c4c(scc4-c5c(OC)cccc5)nc(n3)C6CC6	1570
+C1CCN(C1)CCOCC2CCN(CC2)c3ncc4c(c(Br)sc4n3)-c5ccccc5	117
+FC(F)(F)CN1CCC(CC1)COc2c(cc(c(F)c2)C(=O)OC)C3CC3	2532
+C1CN(CCC1COc2c(cc(c(F)c2)C(=O)OC)C3CC3)S(=O)(=O)C	112
+C1CC(CCN1CC2(CCOCC2)O)COc3c4c(OC5CCOC5)cccc4on3	170
+O=S(=O)(N1CCC(CC1)COc2c3ccccc3nc(c2)C)CCC4C(NC(N4)=O)=O	112
+C1CN(CCC1COc2cc(ccc2)C(OC)=O)c3ncc(cn3)[N+]([O-])=O	117
+C1CC(CCN1C)COc2cc3c(c(Oc4ccc(c(F)c4)NC(NC5CC5)=O)ccn3)cc2C#N	113
+C1CN(CCC1COc2cc3ncnc(c3cc2OC)Nc4c5c(ncc4Cl)OCO5)C(CN(C)C)=O	10
+C1CC(CCN1C(CCc2ccc(c(Cl)c2)OC)=O)COc3ccc(-c4ccc(cc4)S(=O)(=O)C)cn3	10
+C1CC(CCN1C(=O)c2ncccc2O)COc3ccc(-c4ccc(cc4)S(=O)(=O)C)cn3	147
+C1CC(CCN1CC(C)(C)O)COc2ncc(I)nc2	170
+CC(C)(C)OC(=O)N1CCC(CC1)Cc2c3cc(F)ccc3[nH]c2	23
+CC(C)(C)OC(=O)N1CCC(CC1)Cc2c[nH]c3ccccc23	23
+CC(C)(C)OC(=O)NC1CCC(CC1)CCC(N2CCC(CC2)Cc3c(ccc(OC)c3)Br)=O	10
+C1CC(CCN1Cc2cnc(s2)NC(C)=O)Cc3ccc4OCOc4c3	3696
+C1CC(CCN1C(=O)C(Nc2ccc3NC(=O)COc3c2)=O)Cc4ccc(cc4)C	3697
+C1CC(CCN1CC)Cc2cc(F)ccc2	28
+CC(C)(C)OC(=O)NC1CC(CN2CCC(CC2)Cc3ccccc3)CC1	236
+c1cc(ccc1)CC2CCN(CC2)CCC#C	6312
+C1CC(CCN1C(=O)c2nc(-c3cc(Br)c(c(c3O)Br)O)cs2)Cc4ccccc4	1999
+c1cc(ccc1)CC2CCN(CC2)C(=O)C3CC(CN3C(=O)OCc4ccccc4)O	10
+C1CC(CCN1S(=O)(=O)C)Cc2nc3ccc(cc3o2)-c4c5c(cc(F)cc5)n(S(=O)(=O)c6ccccc6)c4	112
+C1CN(CCC1Cn2ccc3cc(ccc23)Br)C(CCc4ccccc4)=O	58
+c1ccccc1S(=O)(=O)N2CCC(CC2)Cn3c4c(nc(cc4)-c5cn(nc5)C6CCCCO6)cc3	92
+C1COCCN1c2c3c(cc(CN4CCC(CC4)Cn5ccnc5C)s3)nc(Cl)n2	509
+O=S(=O)(Cc1ccccc1)N2CCC(CC2)Cn3cnc4c3ccc(-c5cn(C6CCCCO6)nc5)c4	112
+C1CN(CCC1F)c2ccn3c(n2)nc4ccccc34	3698
+C1CC(CCN1C(c2cc(OCc3ccccc3)ccc2C)=O)N4C(=O)C(C)(C)C(c5cc(OC)c(OC)cc5)=N4	115
+CC1(C)C(=O)N(c2cc(ccc2N(CC)C1=O)CN3CCC(CC3)N4C(CCc5ccccc45)=O)C	48
+CC(C)(C)OC(=O)N1CCC(CC1)N2CCC(CC2)N3C4CCCCC4OCC3=O	85
+C1CN(CCC1N2C(C(CC2)Oc3cc(F)c(S(=O)(=O)C)cc3F)=O)C#N	739
+C1CC(CCN1C(=O)CCC(c2cc(Cl)c(Cl)cc2)=O)N3Cc4c(NC3=O)cccc4	10
+O=S(=O)(c1cc(c(cc1)NC2CCN(C3CCN(CC3)c4ncc(Cl)nc4)C2=O)F)C	317
+C1CC(CCN1S(=O)(=O)c2ccc(cc2)CNC(=O)c3ccc4n(ccn4)c3)N5CCCC5	92
+C1CN(CCC1N2CCCCC2=O)Cc3c(-c4ccccc4)nc5ccccc5c3C(OC)=O	619
+C1CN(CCC1N2c3c(cc(c(c3)C)F)NC2=O)C4(CCOCC4)C#N	6313
+CC(C)(C)OC(=O)N1CCC(CC1)N2c3ccccc3NC2=O	23
+c1cc(ccc1)-c2cc(C#N)c(nc2-c3ccc(cc3)CN4CCC(CC4)N5C(=O)Nc6c5cccc6)Cl	131
+c1cc(ccc1Cc2ccccc2OCCCN3CCC(CC3)N4c5ccccc5NC4=O)C(N(CC)CC)=O	28
+c1ccccc1CN(Cc2ccccc2)CCCCN3CCC(CC3)N4c5ccccc5NC4=O	61
+C1CC(CCN1CCCCn2cnc3c2cccc3)N4c5c(cccc5)NC4=O	53
+C1CC(CCN1c2nnc(Cl)cc2)N3CCc4ccc(cc34)F	212
+C1CC(CCN1Cc2[nH]ccn2)N3c4c(cc(cc4)-c5nnn[nH]5)Oc6ccccc36	566
+c1cc(ccc1CN2CCC(CC2)NC(C)=O)CCN3C=CC(=CC3=O)OCc4c(F)cccc4	131
+O=S(=O)(C)N1CCC(CC1)NC(=O)c2n(Cc3cc(on3)-c4ccc(Cl)s4)c5c(cccc5)c2	112
+C1CN(CCC1NC(=O)c2n(Cc3cc(on3)-c4ccc(Cl)s4)c5c(cccc5)c2)C=O	1003
+FC(F)(F)c1ccc(cc1)-n2cc(cc2)CN3CCC(CC3)NC(CSc4cccc(Cl)c4)=O	565
+CC(C)(c1ccc2OCc3ncccc3C(=CCCN4CCC(CC4)NC(Cc5ccc(cc5)Cl)=O)c2c1)O	2000
+CC(C)(C)OC(=O)c1cnc(cc1)N2CCC(CC2)NC(=O)c3cnc(-c4cc(F)ccc4)cc3	323
+C1CN(CCC1NC(=O)c2cncc(c2)C)Cc3cc(c(c(N)c3)I)OCC	48
+C1CN(CCC1NC=2c3c(ccc(OC)c3)N(C)C(=O)C=2)Cc4ccc5OCOc5c4	171
+C1CN(CCC1NCC(O)COc2cccc3c2c4c([nH]3)cccc4)C(c5oc(cc5)[N+]([O-])=O)=O	6314
+FC(F)(F)c1cc(N2CCC(CC2)NCC(c3n(C)c4c(cccc4)n3)O)nc(Cl)c1C#N	43
+c1ccccc1-c2ccc(cc2)NC(=O)CC(=O)N3CCC(CC3)Nc4c(cccc4)C	2561
+C1CN(CCC1Nc2cc(c(cn2)Cl)-c3nc(ccc3)NCc4cc(F)ccc4)S(=O)(=O)CC	112
+C1CC(CCN1c2c(cc3C(C(=CN(c3n2)C4CC4)C(O)=O)=O)F)Nc5ccc(N6C(=O)OC(CNC(C)=O)C6)cc5F	43
+C1CC(CCN1S(=O)(=O)CC)Nc2nc(N)c(C(=O)c3c(F)cccc3)cc2	112
+c1ccccc1Nc2ccc(C(=O)NCC(=O)N3CCC(CC3)Nc4c(cccc4)Cl)nc2	731
+C1CN(CCC1Nc2cccnc2-c3nc4cc(OC)cc(OC)c4c(O)n3)C(C(N(C)C)=O)=O	3697
+C1CN(CCC1Nc2nc3c(cccc3)n2C)Cc4cc(OCC)c(cc4)Cl	48
+O=S(=O)(CCCCl)N1CCC(CC1)Nc2nc(N)c(cn2)C(=O)c3c(ccc(F)c3F)OC	112
+Fc1cccc(F)c1C(c2c(nc(NC3CCN(CC3)S(=O)(=O)CCCCl)s2)N)=O	112
+C1CC(CCN1Cc2cc(OCC)c(c(OCC)c2)F)Nc3nc4c(ccc(OCC#N)c4)o3	48
+c1cccn1-c2c(cc(cc2OCC)CN3CCC(CC3)Nc4oc5cccc(c5n4)[N+](=O)[O-])OCC	48
+C1CN(CCC1Nc2nc3c(cccc3)n2Cc4ccc(C)o4)CC#N	1321
+C1CC(CCN1C(OCCC)=O)Nc2ncc(C(c3ccccc3OC)=O)c(n2)N	66
+O=S(=O)(CCN1CCOCC1)N2CCC(CC2)Nc3nc(c(cn3)Cl)-c4cnc(n4C(C)C)C	6315
+FC(F)(F)c1ccc(cc1)CN2CCC(CC2)Nc3ccc(C#N)nn3	48
+C1CC(CCN1Cc2cc(OCC)c(c(OCC)c2)F)Nc3nc4cc(OCC(O)CO)ccc4o3	48
+C1CC(CCN1Cc2c(ccc3ccccc23)OCC)Nc4sc5ccccc5n4	48
+C1CN(CCC1OC)c2nccc(N)n2	117
+C1CN(CCC1OC)C(=O)c2cc(Cc3c4cc(ccc4c(nn3)O)Br)ccc2F	30
+C1CN(CCC1OC)C(c2c(F)ccc(c2)Cc3c4c(Cl)cccc4c(O)nn3)=O	30
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3CCC(CC3)OC	28
+c1cc(ccc1C#Cc2ccc(cc2)C(N(C(C)(C(=O)NOC3OCCCC3)C(=O)NC)C)=O)CN4CCC(CC4)OC	48
+CC(C)(C)c1ccc(cc1)C=2N(N(c3ccc(cc3)C#N)C(=O)C=2C(=O)N4CCC(CC4)OCC(=O)OCC)C	3478
+C1CN(CCC1OCC2CC2)CCCN3C(=O)COc4c3c(F)c(cc4)F	53
+c1ccccc1NC(=O)CN2CCC(CC2)OCOC	224
+CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCC(CC2)Oc3c(cc(F)cc3)C#N	61
+C1CN(CCC1Oc2cc(C)c(c(C)c2)-c3cc(ccc3)COc4cc5OCC(CC(OC)=O)c5cc4)S(=O)(=O)C	112
+C1CN(CCC1Oc2cc(Cl)cc(c2)Cl)Cc3cc4n(c(Br)nn4)cc3C5CC5	889
+C1CC(CCN1c2ccc(cc2)C(NC)=O)Oc3cc4c(OC(C(=O)N4)C)cc3	34
+C1CC(CCN1c2c(nc3cnccc3n2)Cl)Oc4ccc(F)cc4F	1322
+C1CC(CCN1CCOc2cccc3c2ccc(n3)C)Oc4ccc5CCC(=O)Nc5c4	28
+C1CC(CCN1S(=O)(=O)C)Oc2ccc3c(c2)c4n(c(COCC)nc4c(N)n3)CCC	6316
+c1cc(ccc1-c2ccc(nc2)OC3CCN(CC3)S(=O)(=O)CC(C(C)C)C(N4C(COC4=O)Cc5ccccc5)=O)F	112
+c1ccccc1CN2CCC(CC2)Oc3sc4cc(ccc4n3)Br	131
+C1CN(CCC1S(=O)(=O)Nc2ccc3c(c2)CCN(C3)C(=O)COc4cnccc4)C5COC5	85
+C1CC(CCN1C(OC(C)C)=O)Sc2ncnc(Cl)c2C	66
+C1CN(CCC1c2nc(c[nH]2)-c3cc(ccc3)[N+]([O-])=O)c4c5c[nH]nc5ncn4	1577
+O=S(=O)(CCCCl)N1CCC(CC1)c2[nH]nc3c(cc(Br)cc23)C(=O)N	112
+CC(C)S(=O)(=O)c1ccccc1Nc2nc(Nc3c4OC(C)Cc4c(C5CCNCC5)c(C)c3)ncn2	360
+FC(F)(F)Cc1n2c(nn1)C(NC(N3CCC(CC3)c4cc(nnc4O)C)=O)CCC(c5c(F)c(ccc5)F)C2	1132
+CC(C)(C)C(C)C(=O)N1CCC(CC1)c2c3c(ncc(NC(=O)c4cccc(C#N)c4)c3C)n(C)c2	10
+C1CN(CCC1c2c3cc(-c4c(cc(F)cc4)F)cc(c3[nH]c2)C(N)=O)S(=O)(=O)CC	112
+C1CN(CCC1c2c3cc(ccc3[nH]c2)C#N)CCCOc4ccccc4	28
+C1CC(CCN1CCC2OCCc3cc(ccc23)C(=O)N)c4c5cc(ccc5n(c4)C)OC	123
+C1CC(CCN1C(Cc2cc([N+](=O)[O-])ccc2C)=O)c3c[nH]c4c(Cl)cccc34	10
+CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)c3cc(ccc3)NC(=O)CC	53
+C1CC(CCN1C)c2cc(OC)ccc2Br	113
+c1cc(ccc1C2CCN(CC2)C(c3ccc(c(N)c3)CC)=O)-c4cnn(c4)C	30
+c1cc(ccc1C2CCN(CC2)C(c3ccc(F)c([N+](=O)[O-])c3)=O)-c4cnn(c4)C	30
+C1CN(CCC1c2ccc(cc2)Br)C(=O)C	319
+C1CC(CCN1C(=O)c2cc(c(C)cc2)N)c3ccc(cc3)Br	30
+c1cc(ccc1C2CCN(CC2)C(=O)c3c(cc(c(c3)-c4[nH]nc(CC)c4)C5CCC5)C)C#N	30
+c1cc(ccc1C2CCN(CC2)C(=O)c3nn(C)c(NC(NCC(C)C)=O)c3)C#N	147
+C1CC(CCN1C(=O)c2cc(N)c(C)cc2)c3ccc(cc3)C#N	30
+c1cc(ccc1C2CCN(CC2)C(c3c(cc(C)c(c3)C=O)CC)=O)C#N	30
+c1cc(ccc1C(C)C(NC2CC2)=O)C3CCN(CC3)c4ccc(cc4C#N)OCC5CC5	34
+C1CN(CCC1c2ccc(cc2)C(C)C(NCC)=O)c3c(cc(cc3)OCC4CC4)OC	79
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+C1CC(CCN1CCc2c(sc3c2CCNC3)C)c4c5c(on4)cc(F)cc5	526
+C1CC(CCN1CCc2c3CCN(Cc3sc2C)C)c4c5c(on4)cc(F)cc5	113
+C1CC(CCN1CCc2c3CCN(C(c4ccccc4)=O)Cc3sc2C)c5c6c(on5)cc(F)cc6	115
+C1CN(CCC1C(=O)O)CCc2cccc(O)c2C=O	3
+C1CN(CCC1COc2c(cccc2)F)CCC3=CN=CC(=O)N3C	6330
+C1CC(CCN1Cc2cc(OCC)c(c(OCC)c2)F)Nc3nc4cc(OCCN)ccc4o3	51
+C1CC(CCN1Cc2cc(c(Cl)cc2)OCC)Nc3nc(ncc3C)Cl	40
+C1CN(CCC1NC)Cc2ccc(Cl)c(c2)Cl	87
+C1CC(CCN1Cc2ccc(OC)c(OCC)c2)Nc3nc(nc(c3)C)N	40
+C1CN(CCC1N)Cc2ccc(cc2)C	316
+c1cc(ccc1CN2CCC(CC2)c3c(C)ccc(N)c3)Oc4cc(c(cc4F)F)F	890
+C1CC(CCN1Cc2cc3c(OCCO3)cc2)NCCN4C(=O)C=C(C)c5c4cc(OC)cc5	110
+C1CC(CCN1Cc2ccc3c(c2)cccc3)Nc4c5cc(ccc5c(nn4)-c6cccc(OC)c6)OC	232
+C1CN(CCC1Nc2c3cc(ccc3c(-c4c(cccc4)OC)nn2)OC)Cc5cc6ccccc6cc5	232
+C1CN(CCC1Nc2c3cc(OC)ccc3c(nn2)-c4ccccc4)Cc5cc6ccccc6cc5	232
+c1ccccc1Cc2c3c(c(nn2)NC4CCN(CC4)Cc5cc6ccccc6cc5)cc(OC)cc3OC	232
+C1CN(CCC1Nc2c3cc(F)ccc3c(-c4ccc(cc4)F)nn2)Cc5cc6ccccc6cc5	232
+C1CN(CCO1)c2nc(nc3c2nc(CN4CCC(CC4)C(C)(C)O)cc3)-c5c(C)nc(N)cc5	1323
+C1CC(CCN1Cc2ccccc2)(C(=O)N)NCC	2006
+C1CNCCC1(c2ccccc2C)C#N	25
+C1CC(CCN1)(C(=O)N)NCC	25
+FC(F)(F)Oc1ccc(cc1)N2C(=O)C3(CCN(CC3)Cc4ccccc4)CC2	2007
+FC(F)(F)Oc1ccc(cc1)NC(NC2(CCN(CC2)Cc3ccccc3)C#N)=O	282
+C1CN(CCC1(CO)NC(c2ccc(cc2)OCCCN3CCCC3C)=O)Cc4ccccc4	88
+c1cc(ccc1)CN2CCC3(CC2)N(C=NC3=O)c4cc(ccc4)C	3702
+c1cc(ccc1)CN2CCC(CC2)(Nc3cccc(C)c3)C(O)=O	2567
+C1CC(CCN1Cc2ccccc2)(Nc3ccccc3)COC	76
+c1ccccc1CN2CCC(CC2)(N(C(=O)CC)c3ccccc3)COC	192
+C1CN(CCC1(CCN)O)Cc2ccccc2	15
+c1cc(ccc1)CN2CCC(=CC2)c3ccc(cc3)OC	252
+c1cc(ccc1C2(CCN(CC2)Cc3ccccc3)c4cc(OC)ccc4)C(=O)NN	296
+C1CC(CCN1Cc2ccccc2)=Cc3ccc(cc3)C(=N)OCC	3703
+c1ccccc1CN2CCC(CC2)C(=O)NC	9
+C1CC(CCN1Cc2ccccc2)c3nc(C)c(o3)C	6331
+C1CC(CCN1Cc2ccccc2)CCCCC(NO)=N	409
+c1ccccc1CN2CCC(CC2)COc3ccc(Br)cn3	640
+C1CNCCC1N(CCC)C2CCc3c(C2)cc(cc3)OC	25
+C1CNCCC1NC(=O)COc2cccc(Cl)c2	25
+C1CC(CCN1C(OCC)=O)Nc2c([N+](=O)[O-])cccc2C	1600
+C1CNCCC1Nc2ccc(cn2)C(=O)OC	25
+C1CC(CCN1)c2ccc(cc2)OC	25
+C1CNCCC1c2oc(c(C)n2)C	25
+CC1CN(CC(C)O1)c2nc(Cl)nc3n(C4CCNCC4)ncc23	25
+CC(C)(C)OC(=O)Nc1c(c(C)c(s1)C(OCC2CCN(CC2)Cc3cnc(-c4ccccn4)s3)=O)C#N	1532
+C1(CN(CC(C)O1)c2nc(-c3ccc(cc3)N)nc4c2cnn4C5CCN(CC5)Cc6cnccc6)C	261
+C1CN(CCCC1)CCCNC(C2CCN(CC2)Cc3nc(-c4ccc(cc4)Cl)oc3C)=O	9
+c1cc(ccc1Cl)-c2nc(c(o2)C)CN3CCC(CC3)C(N(CCCN4CCCCCC4)C)=O	10
+C1CN(CCC1C2COC2)Cc3n(C)c4c(c(N5CCOCC5)nc(n4)-n6c7c(cccc7)nc6C)n3	1098
+C1CN(CCC12C(=C(c3c(C)cc(F)c(c3)Br)C(=O)N2)O)OC	997
+C1CN(CCC12NC(C(c3c(ccc(c3)C)C)=C2O)=O)OC	997
+C1CC1c2c(C)cc(C)c(CC(NC3(CCN(CC3)OC)C(=O)OC)=O)c2	726
+C1CC(CCN1OC)(C(OC)=O)NC(=O)Cc2c(C)cc(F)c(c2)Br	188
+C1CN(CCC1C=O)OC	1143
+C1CC(CCN1OC)=COC	6332
+C1CN(CCC1C(OC(Cc2c(C)cc(cc2C)C)=O)C#N)OC	204
+C1CN(CCC1CC(N)C#N)OC	2519
+C1CC(CCN1OC)CC=O	24
+C1CC(CCN1S(=O)(=O)C)CO	44
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCC(C2CCN(CC2)S(=O)(=O)C)c3cc(F)cc(c3)F)CC4CC4	61
+C1CC(CCN1S(=O)(=O)C)CN(C2Cc3cc(ccc3CC2)NC(C(C)C)=O)CCC	26
+C1CC(CCN1S(=O)(=O)C)CN(CCC)C2CCc3c(cc(cc3)N)C2	0
+C1CC(CCN1S(=O)(=O)C)Cc2oc3cc(-c4c5c([nH]c4)cc(cc5)F)ccc3n2	741
+C1CC(CCN1S(=O)(=O)C)Oc2ccc(cc2)N	0
+C1CN(CCC1CNC(=O)C2CCCCC2)S(=O)(=O)c3c4c(ccc3)cccc4	68
+C1CC(CCN1S(=O)(=O)c2cccc(Cl)c2)(NC(=O)C3CCCCC3)C#N	68
+C1CC(CCN1c2ncc(cc2C3CC3)N)OC(c4ccccc4)=O	13
+C1CN(CCC1C(=O)O)c2c(Cl)nsn2	3
+CN(C)C(=O)c1ccc(c(F)c1)Nc2c(F)c(ncn2)N3CCC(CC3)C(=O)O	3
+C1CN(CCC1CC(N2CCN(C)CCC2)=O)c3ncc(Br)cc3[N+](=O)[O-]	10
+C1CC(CCN1c2ccnc(NN)c2C#N)c3ccccc3	2568
+O=S(=O)(c1sc(cc1)Cl)NC(C2CCN(CC2)c3c(c(S(C)=O)c(-c4oc(CC)cn4)cn3)Cl)=O	344
+C1CC(CCN1c2c(c(S(C)=O)c(-c3oc(CC)cn3)cn2)Cl)C(=O)O	4
+C1CC(CCN1c2c(c(S(C)=O)c(-c3oc(CC)cn3)cn2)Cl)C(=O)OC	357
+C1CN(CCC1CC(N2CCN(C)CCC2)=O)c3ncc(cc3NC(=O)c4cc(Cl)ccc4)Br	660
+C1CN(CCC1CC(O)=O)c2c(cc(Cl)cc2)NC(c3cccc(Cl)c3)=O	3
+C1CN(CCC1CC(=O)OCC)c2ccc(Cl)cc2N	0
+C1CN(CCC1OC(c2ccccc2)=O)c3c(Cl)cc(cn3)[N+]([O-])=O	279
+C1CC(CCN1c2c(ccc(n2)N3CCN(CC3)C)N)C	13
+C1CN(CCN1c2ccc(NC(c3cc(C#N)c[nH]3)=O)c(N4CCC(CC4)C)n2)C	510
+C1CN(CCC1C)c2c(ncn2-c3c(F)cc(cc3F)F)Cl	6333
+C1CN(CCC1Oc2ccc(F)cc2F)c3c(nc4c(n3)ccnc4)NC5COCC5	1284
+C1CN(CCC1Oc2ccc(F)cc2F)c3c(NC4CC(C4)(F)F)nc5c(ccnc5)n3	1284
+C1CN(CCC1(NC(C)=O)C)c2c3c(ccc2)OCCO3	6334
+C1CN(CCC1C(=O)O)c2c3c(n(C)cc3C=O)ncc2	3
+c1cc(ccc1-c2c3cnccc3c(N4CCC(CC4)C(NCC(C)C)=O)nc2-c5ccnc(Cl)c5)F	1151
+C1CC(CCN1c2nc(Cl)nc(C(O)=O)c2)c3n[nH]c4ncccc34	1
+C1CCCCC1Nc2c3c(nc(Nc4ccc(N5CCC(CC5)N6CC(CCC6)O)cc4OC)n2)nc[nH]3	3704
+C1CN(CCC1C)c2cc(C(=O)Nc3ccc(OCC#N)c4ccccc34)cc(c2)F	67
+CC1(C)OB(OC1(C)C)c2cc(N3CCC(CC3)N(C)C(C)=O)ccc2	17
+C1CN(CCC1NC(=O)c2[nH]c(c(c2Cl)Cl)C#N)c3cc(nc4ccccc34)C(OC)=O	1938
+CC(C)COC(=O)N(C1CN(C(C2CCN(CC2)c3ccc(C#N)cn3)=O)CC1c4ccc(cc4)Cl)C	66
+CC(C)(C)OC(=O)N(C)C1C(c2ccc(cc2)Cl)CN(C1)C(C3CCN(CC3)c4ccc(C#N)cn4)=O	10
+c1cc(ccc1Cl)C2CN(CCC2C(Nc3ncc(cc3)C#N)C)C(C4CCN(CC4)c5ccc(cn5)C#N)=O	10
+C1CN(CCC1=CCO)c2ccc(Cl)c(c2)OC	2569
+C1CC(CCN1c2cc(OC)c(Nc3nc(c4c(n(C5OCCCC5)cn4)n3)NC6CCCCC6)cc2)N7CCCC(C7)O	55
+C1CC(CCN1c2ccc(N)c(OC)c2)N3CC(CCC3)O	0
+C1CC(CCN1c2cc(c([N+](=O)[O-])cc2)OC)=O	86
+c1cc(ccc1C(NNC(=O)c2ccc(cc2)C(=O)OC)=O)N3CCC(CC3)(OC)CCCC	1601
+C1CC(CCN1c2ccc(cc2)C(=O)NN)(CCCC)OC	1094
+c1cc(ccc1N2CCC(CC2)(OC)Cc3c(F)cccc3)C(N)=O	1602
+C1CN(CCC1NCC(O)COc2cccc3NC(Nc23)=O)c4ccc(cc4)NS(=O)(=O)c5ccc(cc5)NC(C)=O	87
+C1CN(CCC1NCCCc2ccccc2)c3ccc(cc3)OC	15
+CN(C)C(C1CCN(CC1)c2cccc(c2)Br)=O	10
+C1CC(CCN1c2cccc(c2)Br)C(=O)O	3
+C1CC(CCN1c2c3OCCOc3ccc2)(C)O	736
+c1cc(ccc1)C2CCN(CC2)c3ccn4c(c3C#N)nnc4	2570
+C1CC(CCN1c2ccnc3ccc(F)cc23)C(CC)C(=O)O	3
+c1cc(ccc1Cl)NC(=O)C(C2CCN(CC2)c3ccnc4ccc(F)cc34)CC	33
+C1CC(CCN1c2cnccc2)=NN3CCN(CC3=O)S(=O)(=O)c4ccc5c(c4)ccc(c5)Cl	6335
+CC(C)NC(=O)C1CCN(CC1)c2nc(-c3cc(ncc3)Cl)cc4c2ccnc4	9
+c1cc(ccc1OCCC2C(C3CCN(CC3)c4onc(C(C)C)n4)C2)CC(=O)OC	20
+C1CN(CCC1CCCOc2cc(C)c(Br)cc2)c3nc(no3)C(C)C	126
+C1CN(CCC1CCCOS(=O)(=O)C)c2nc(C(C)C)no2	7
+C1CN(CCC1CCCOc2ccc(S(=O)(=O)C)c(F)c2)c3nc(no3)C(C)C	20
+O=S(=O)(c1cnc(cc1)OCCCC2CCN(CC2)c3nc(no3)C(C)C)C	430
+C1CN(CCC1CCCOc2cc(C)c(Br)cn2)c3nc(C(C)C)no3	91
+C1CN(CCC1CCCOc2cnc(C(OC)=O)cc2)c3nc(no3)C(C)C	981
+C1CC(CCN1c2nc(no2)C(C)C)n3c4cc(F)c(Br)cc4cc3	3705
+C1CC(CCN1c2c(ccc(n2)N3CCN(CC3)C(=O)CN4CCOCC4)N)C	13
+O=S(=O)(C)c1ccc(NC(=O)c2cc(Cl)ccc2)c(n1)N3CCC(CC3)CC(=O)OCC	660
+C1CC(CCN1c2cc(C(N)=O)cc(n2)Cl)NC(=O)c3[nH]c(c(Cl)c3)C	81
+C1CC(CCN1c2c(ccc(N3CCN(CC3)C)n2)[N+]([O-])=O)C	43
+C1CC(CCN1c2nc(no2)C(C)C)COc3ccc(-c4c(cc(cc4)S(C)=O)F)nc3	2571
+C1CC(CCN1c2nc(no2)C(C)C)n3ccc4cc(-c5ccc(cc5)S(=O)(=O)C)c(cc34)F	99
+C1CC(CCN1c2nc3c(c(C)c2)cc(cc3)C#Cc4ccc(-c5ccc(cc5)Cl)cn4)C	129
+C1CC(CCN1c2nc3c(cccc3)cc2)CCNC(OCC(N)=O)=O	6336
+CC(C)NC1CCN(CC1)c2nc3ccc(Cl)cc3s2	87
+C1CN(CCC1C(OCC)=O)c2nc3ccc(c(C(=O)NCCc4c(C)cccc4)c3cc2)Cl	14
+C1CC(CCN1c2nc3c(cc(cc3)I)c(C)c2)C	3706
+C1CN(CCC1=O)c2cnc(C)cn2	86
+C1CN(CCC1Nc2nc(ncc2Cl)Nc3cn(C)nc3)c4ncc(cc4)C#N	486
+C1CC(CCN1c2ncc(cn2)CC)n3ccc4c3cc(c(-c5ccc(cc5)-n6cnnn6)c4)F	99
+CC(C)(C)OC(=O)N1CCC(c2cc(c3OC(C4(CCN(CC4)c5ncc(cn5)CCC)O)Cc3c2)F)=CC1	563
+C1CC1NC2CCN(CC2)c3ncc(cn3)Cl	87
+C1CN(CCC1=O)c2cnc(CC)cn2	86
+C1CC(CCN1c2ncccc2)NC(=O)n3cncc3	2483
+CC(C)(C)OC(NC1CCN(CC1)C(=O)NC2CCN(CC2)c3ncccc3)=O	3640
+C1CN(CCC1CCNC(=O)c2cc(ccc2)C(NCC)=O)c3c4sc(cc4ncn3)C(N)=O	14
+C1CCCN1CC2(CCN(CC2)c3ncnc4nc[nH]c34)c5cccc(-c6cnn(C)c6)c5	61
+C1CC(CCN1c2ncncc2)C(N3CCNCC3)=O	25
+C1CN(CCC1C(=O)N2CCN(CC2)C(c3ccc(cc3)C#N)=O)c4ccncn4	115
+C1CC(CCN1c2nnc(-c3cnn(c3)CCOCC)cc2)N4CCc5ccc(cc45)F	338
+C1CC(CCN1c2nnc(-c3c[nH]nc3)cc2)N4CCc5ccc(cc45)F	3707
+C1CC(CCN1c2ccc(nn2)-c3cncc(c3)C(=O)O)Oc4c5ccccc5ncc4	6
+CC(C)(C)OC(NC(c1c(F)cc(OCCC(C)C2CCN(CC2)c3onc(C(C)C)n3)cc1)C(OC)=O)=O	126
+C1CN(CCC1(CC)CCO)c2sc3c(ccc(Cl)c3)n2	95
+C1CN(CCC1(CC)CCOc2cc(CC(OC)=O)ccc2Cl)c3sc4c(ccc(Cl)c4)n3	72
+C1CN(CCC1O)c2scc(n2)CN3CCN(c4c5c(cccn5)cc(C)c4OCCCC(=O)OC)CCC3	3708
+CC(C)c1nc(N2CCC(CC2)N3CCCC3=O)sn1	1553
+C1CC(CCN1c2snc(n2)C)Nc3nn4cccc(-c5cccc(N(C)C)c5)c4n3	1478
+c1cc(ccc1F)-c2c3n(ccc2)nc(n3)NC4CCN(CC4)c5snc(n5)C	1478
+C1CN(CCC1Nc2nn3ccc(Br)cc3n2)c4snc(n4)C	1478
+C1COCCC1(c2ccc(cc2)CCCNC(c3cccc4ccccc34)C)C(=O)O	479
+C1CC(CCO1)(CN)c2nc(-c3ccccc3)cs2	51
+C1COCCC12C(=O)C(=C(O)c3ccccc23)C(OCC)=O	3359
+C1CC(CCO1)(C(=O)OC)c2cc(cc(OCc3ccc4c(cc(NN)nc4c3)Cl)c2)F	2572
+C1CC(CCO1)(C(=O)OC)c2cc(cc(c2)OCc3cc4n5cnnc5cc(Cl)c4cc3)F	6337
+C1COCCC1(c2nc(ccc2)C#N)O	1304
+c1ccccc1-c2nc(C3(CCOCC3)CNC)sc2	1971
+FC(F)(F)c1onc(-c2ccc(C(=O)NCC3(CCOCC3)c4nc(cs4)-c5ccccc5)s2)n1	227
+C1CC(CCO1)(O)Cn2c3c(cnc4ccccc34)nc2COCC	546
+c1cc(ccc1COc2cc(F)cc(C3(CCOCC3)C(=O)OCC)c2)-n4ccnc4C	139
+c1cc(ccc1C2(CCOCC2)C(NCC(O)=O)=O)CCCNC(c3cccc4ccccc34)C	4
+C1COCCC1(c2ccc(cc2)Cl)C(O)=O	459
+C1COCCC1(CC#N)c2ccc(cc2)F	6338
+C1CCN(C1)CCCOc2ccc(cc2)C3(CCOCC3)C=O	24
+C1CC(CCO1)(c2cnc(nc2)C)C(N(OC)C)=O	164
+C1COCCC1(O)c2[n+](cccc2)[O-]	103
+C1COCCC1(c2nc(cs2)C)F	3709
+C1CN(CCN1c2ccc(C(Nc3c4c(n[nH]3)ccc(Cc5cc(F)cc(c5)F)c4)=O)c(NC6CCOCC6)c2)C	231
+C1CC(CCO1)N2CCC3(CC2)C(C3)C(OCC)=O	85
+CC(C)(C)C#Cc1cc(c(C(OC)=O)s1)NC2CCOCC2	2554
+CC(C)(C)OC(=O)NC1CCN(CC1)C2CCOCC2	85
+CC(C)(C)OC(NNC1CCOCC1)=O	3710
+CC(C)(C)[Si](C)(C)OCc1cccc(C2(CCOCC2)O)n1	938
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC3CCOCC3	231
+C1COCCC1NCC	87
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2nccc2nc(c1)C(NC3CCOCC3)C	87
+Cc1cc(cc(C)c1-c2c3n(nc2C)c(NCCNC4CCOCC4)cc(C)n3)Cl	87
+C1CC(CCO1)Nc2c(C)c(cc(Cl)c2)C(=O)OC	231
+FC(F)(F)c1cc(c(c(OC)c1)C(=O)NC2C(NC3CCOCC3)CCC2)SC	87
+C1COCCC1(C#N)N	661
+C1CC(CCO1)Nc2ccc(F)c(C3(NC(COCC3F)=N)C)c2	231
+C1COCCC1Nc2c(Cl)nc(Cl)nc2	6339
+C1CC(CCO1)Nc2c(c(ccc2)C(=O)OC)Br	231
+C1COCCC1=Cc2c(cc(OC)cc2)[N+](=O)[O-]	846
+C1CC2(OCC(CO2)CO)CCO1	1526
+c1cc(ccc1)CSC2(CCOCC2)C[N+](=O)[O-]	6340
+Fc1cc(cc(F)c1)C2(CCOCC2)O	251
+C1COCCC1Nc2c(C(=O)OC)cc(s2)-c3ccc(F)cc3F	6341
+C1COCCC1N(CC)Cc2cc(ccc2-c3ccccc3)C(=O)OCC	85
+c1cc(ccc1)-c2c3cc(Cl)cc(NC4CCOCC4)c3[nH]c2	6342
+C1COCCC1N(C)CCc2ccc3[nH]c(c(c3c2)C(OCc4ccccc4)=O)C	85
+C1CC(CCO1)Nc2ccnn2Cc3ccccc3	1270
+C1COCCC12NC(=O)C(c3ccc(cc3)Cl)N2	6343
+C1COCCC1N2CCN(CC2)C=3N=CN(C(N=3)=O)Cc4ccc(cc4)Cl	85
+C1CNCCN1C(=O)C2CCOCC2	1324
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)N(C)C(C3CCOCC3)=O	192
+C1COCCC1C(Nc2cnc3cc(-c4c(noc4C)C)c(cc3c2NC(C)COC)OC)=O	308
+FC(F)(F)c1cc2N(C(=O)C3CCOCC3)CCc2c(c1)Br	192
+C1CC(CCO1)C(Nc2c(cc(cc2Cl)O)[N+]([O-])=O)=O	26
+C1COCCC1C(O)c2cc3N=CN(C(c3s2)=O)c4ccc(cc4)N5CCN(CCC5)C	2389
+O=S(=O)(C)OC(C1CCOCC1)C	7
+C1COCCC1c2nc3c(c(Cl)cc(O)c3)[nH]2	791
+C1CC(CCO1)C(Nc2c(Cl)cc(cc2N)O)=O	0
+CC(C)(C)OC(Nc1nc(c(NC(C2CCOCC2)=O)cc1)C#Cc3ccccc3)=O	469
+C1COCCC1C(=O)Nc2nnc(cc2)N3CCN(C(=S)Nc4cccc5c4cccn5)C(C(C)C)C3	142
+C1CC(CCO1)C(N)=O	83
+C1CC(CCO1)C(c2ccccc2)n3c4c(c(cc(F)c4F)S(=O)(=O)C)c5c3cc(Br)cn5	6344
+FC(F)(F)c1cc(SC)c(C(=O)NC2(CN(C)CCC2)C3CCOCC3)c(OC)c1	93
+C1COCCC1C2CCN3c4c(CNCC3)cccc24	1603
+C1CN(CCO1)c2nc(Cl)nc3c2nc(CN4CC(C4)C5CCOCC5)cc3	596
+C1CC(CCO1)C2CCN(c3ccccc23)CCN	15
+C1CC(CCO1)CC(c2ccc([nH]2)-c3ccc(cn3)C(C(C)(C)O)O)n4ncc5c(ccnc45)OC	6345
+C1COCCC1CC(c2cc(n(C)n2)SC)C(C=C)=O	1152
+C1CC(CCO1)CC(C(Nc2ncc(C(=O)O)s2)=O)c3ccc(cc3)S(=O)(=O)C	6
+C1CC(CCO1)CC(C(=O)Nc2ncc(C(OCC)=O)s2)c3ccc(cc3)S(=O)(=O)C	373
+C1CC(CCO1)CC(C(=O)CCC(c2ncc(C(C(C)(C)O)O)cc2)=O)n3ncc4c(OC)ccnc34	3711
+C1CC(CCO1)CC(C(C=C)=O)n2ncc3c2nccc3OC	1152
+C1CC(CCO1)CC(C(Nc2sc(C(=O)NC)cn2)=O)c3ccc(cc3)S(=O)(=O)C	454
+C1CC(CCO1)CC(C(=O)N(C)OC)c2nn(C)c(SC)c2	164
+C1CC(CCO1)CC(c2cc(SC)n(C)n2)C(=O)O	4
+C1CC(CCO1)CC(c2ncc(cc2)SC)C(=O)N(OC)C	978
+C1COCCC1CC(C(C=C)=O)c2ncc(cc2)SC	1152
+C1CC(CCO1)CNC(=O)Cc2csc(-c3c(n(C4CCCCC4)nc3)-c5ccc(cc5)F)n2	9
+CC(C)(C)n1c(Br)c(cn1)-c2nc(cs2)CC(NCC3CCOCC3)=O	9
+FC(F)(F)c1ccc(cc1)CON=C(CC)c2ccc(cc2)OCC(NCC3CCOCC3)=O	9
+C1COCCC1CNc2c([N+]([O-])=O)cc(cc2)N(S(=O)(=O)c3ccccc3)C	60
+C1COCCC1CNc2c([N+]([O-])=O)cc(NC(=O)C)cc2	60
+C1CC(CCO1)CNc2c3c(cccc3)nc(Cl)c2[N+](=O)[O-]	105
+C1CC(CCO1)CNC(c2cnc(Cl)c3c2c(ccc3)C)=O	56
+C1COCCC1CNc2n3c(nc(c2)Cl)c(Br)cn3	1005
+C1CC(CCO1)CNc2cncc(Cl)n2	464
+C1CC(CCO1)CNc2c(ncc(Br)n2)N	941
+C1CC(CCO1)CNc2nc(Br)ccc2	182
+C1CC(CCO1)CNc2c([N+]([O-])=O)ccc(Cl)n2	70
+C1CC(CCO1)CNc2c(cnc3ccccc23)[N+](=O)[O-]	105
+C1CC(CCO1)CNc2ccc(F)c(n2)-c3c(Cl)cnc(c3)N	182
+C1CC(CCO1)CNC(c2cnc(-n3ncc(c3OC)C(OCC)=O)cc2)=O	3516
+C1COCCC1CNC(c2ccc(nc2)-n3ncc(-c4ccc(cc4C)C#N)c3OC)=O	800
+C1CC(CCO1)CNC(c2cnc(cc2)-n3ncc(-c4cc(C)ncc4)c3OC)=O	6346
+C1CC(CCO1)CNC(c2cnc(cc2)-n3c(OC)c(C(O)=O)cn3)=O	6
+C1CC(CCO1)CNC(c2cnc(cc2)N3C(=O)C(c4cc(ncc4)C)C=N3)=O	2477
+C1CC(CCO1)CNc2nc(ccc2N)Cl	13
+C1CC(CCO1)CNc2c(N)cnc3ccccc23	13
+C1CC(CCO1)CNc2nc(-c3c(cnc(F)c3)Cl)cnc2N	3712
+C1COCCC1CNc2c3ccccc3nc(Cl)c2N	13
+C1CC(CCC1Nc2cc(c(cn2)Cl)-c3nc(ccc3Br)NCC4CCOCC4)NCCOC	463
+C1CC(CCO1)CNc2nc(-c3cc(ncc3Cl)F)cnc2	1940
+C1CC(CCO1)CNc2nc(-c3c(Cl)cnc(c3)F)ccc2	1238
+C1COCCC1Cn2cnc3c2nc(Cl)cc3	3713
+C1CC(CCO1)COc2nc(c(N)c(c2)N(C(=O)OCC)Cc3ccc(nc3)C)N	13
+C1CC(CCO1)COc2cc3c(NC(=O)N3Cc4cnc(C)cc4)c(N)n2	6347
+C1COCCC1Cn2c3c(nc2C(C)(C)OC)cc(N(C(=O)C)CC)cc3	76
+C1COCCC1N(C(N2C(=O)N(c3c(cccc3)Cl)N=N2)=O)CC	6348
+CN(C)Cc1ccc(-c2cc(c(C)c(c2)C(=O)NCc3c(nc(C)cc3C)O)N(CC)C4CCOCC4)cn1	315
+C1CN(CCO1)Cc2ccc(cc2F)-c3cc(C(NCc4c(O)nc(C)cc4C)=O)c(c(c3)N(C5CCOCC5)CC)C	48
+C1CC(CCO1)N(CC)c2c(C)c(cc(c2)-c3cc(F)c(cc3)C=O)C(=O)NCc4c(nc(C)cc4C)O	11
+C1CC(CCO1)N(CC)c2c(C)c(cc(-c3ccc(nc3)C=O)c2)C(=O)NCc4c(nc(C)cc4C)O	305
+C1CC(CCO1)N2C(=O)C3(N(CCOC3)c4c2cnc(-c5ccc(cc5)NC(=O)NC)n4)C	261
+C1COCCC1N2C(=O)N(Cc3ccc(OC)c(c3)OC)C(c4cc(ccc24)CNC(=O)C)=O	206
+C1COCCC1N2CCN(C2=O)C(=O)Cl	6349
+C1COCCC1N2CCN(C2=O)C(Nc3nc(c(Oc4cc(-c5ccc(C)nc5)ncc4)cc3)CC)=O	6350
+C1CC(CCO1)N2CCC(CC2)Nc3ccc(S(=O)(=O)N)cc3[N+]([O-])=O	205
+C1CN(CCC1Nc2c(ccc(Br)c2)[N+](=O)[O-])C3CCOCC3	60
+C1CN(CCC12CC2C(N3CCN(CC3)C4CC4)=O)C5CCOCC5	10
+c1cc(ccc1N2CCN(CC2)C(C3CC34CCN(CC4)C5CCOCC5)=O)OC	10
+C1CC(CCO1)N2CCC3(CC2)C(C(=O)O)C3	3
+C1COCCC1N2c3c(N(C)C2=O)cnc4ccc(cc34)-c5ccc(nc5)OCCCN(C)C	391
+C1CC(CCO1)N2C(=O)Nc3c2nc(Nc4cc(C#N)ccc4N)nc3Cl	0
+C1CC(CCO1)N2c3c(NC2=O)c(Cl)nc(Nc4cc(C#N)ccc4[N+](=O)[O-])n3	490
+C1CC(CCO1)N2c3nc(Nc4c(ccc(F)c4)[N+](=O)[O-])nc(Cl)c3NC2=O	490
+C1COCCC1N2c3c(cc(cc3)C#N)C(=O)N(C2=O)Cc4cc(c(OC)cc4)OC	160
+C1CC(CCO1)NC(=O)c2cc3c(cnn3C4OCCCC4)cc2Oc5c(cc(N)cc5)F	0
+C1CC(CCO1)NCCCCN2C(Nc3c(nc(nc23)OC(CCC)C)N)=O	1604
+C1COCCC1n2c(-c3cc(c(cc3NC(=O)C)C)Br)ccn2	2008
+C1CC(CCO1)NNC(c2c(ccnc2OC)I)=O	1325
+C1COCCC1N2c3c(C(=O)N2)c(ncc3)OC	3714
+c1cc(ccc1CC=2C(N(C3CCOCC3)c4n(C=2CCC)ncc4)=O)-c5ccccc5C#N	3242
+C1CC(CCO1)N(c2c(c(C(OC)=O)cc(Cl)c2)C)C	891
+C1COCCC1Nc2c3cnn(CC)c3nc(CC)c2CNC(=O)c4nc(ccc4)C(OC)=O	81
+C1COCCC1Nc2c3c(n(nc3)CC)nc(c2CNC(=O)c4ccc(cc4)CCCCCCCCO)CC	14
+c1ccccc1C(CO)NC(=O)c2cnc3c(cnn3CC)c2NC4CCOCC4	56
+C1COCCC1Nc2c3c(C)nn(C(C)C)c3nc(c2C(O)=O)-c4cc(O)ccc4	6
+C1CC(CCO1)Nc2c(CN)c(nc3n(ncc23)CC)CC	18
+C1CC(CCO1)Nc2n3c(nc(N4CCCC4)c2)cc(C(=O)N(C)OC)n3	1006
+FC(F)(F)C(=O)N(c1c(ccc(c1)[N+](=O)[O-])C(=O)O)C2CCOCC2	1326
+C1CC(CCO1)Nc2n3c(nc(N4CCCC4)c2)cc(C(=O)OCC)n3	790
+C1CC(CCO1)Nc2[nH]ncc2	3715
+C1CC(CCO1)Nc2cc(N3CCCC3)nc4cc(nn24)C(=O)O	6
+C1CC(CCO1)N2c3c(NC2=O)c(nc(N)n3)Cl	3716
+C1COCCC1Oc2ncc(C(=O)N3CCCN(CC3)C4CCC4)cc2	91
+C1COCCC1Oc2cccc3C(=O)c4c(CCc23)cc(cc4)Cl	419
+C1COCCC1Oc2cc(N)ncc2C#N	2009
+C1COCCC1OS(=O)(=O)C	7
+C1CC(CCO1)C(S(=O)(=O)c2ccc(cc2)Cl)c3c(F)ccc(c3)F	6351
+Fc1cc(cc(F)c1)OC2CCOCC2	20
+C1COCCC1Oc2cc(ccc2[N+](=O)[O-])F	419
+C1COCCC1OC(c2ccc(Cl)c(Cl)c2)C(=O)OC	6352
+C1CC(CCO1)Oc2ccc(cc2)Br	20
+C1CC(CCO1)Oc2ccc(cc2)C(=O)c3ccc(cc3)[N+]([O-])=O	20
+c1cc(ccc1NC(c2cc(-c3cncnc3)c(nc2)OC4CCOCC4)=O)OC(F)(F)Cl	91
+C1COCCC1n2cc(cn2)[N+]([O-])=O	2010
+C1CC(CCO1)Oc2c3c(ccc(Cl)n3)ncn2	3717
+C1CC(CCO1)OC(c2cc(c(cc2)Cl)Cl)C(=O)Nc3sccn3	373
+C1CC(CCO1)Oc2cc(Oc3ccc(S(=O)(=O)C)nc3)cc4cc([nH]c24)C(O)=O	6
+C1CC(CCO1)Oc2c3[nH]c(C4=NCC(CC(N5CCS(=O)(=O)CC5)=O)S4)cc3cc(c2)Oc6ccc(S(=O)(=O)C)nc6	10
+C1CC(CCO1)Oc2c3[nH]c(C4=NCC(S4)CC(=O)O)cc3cc(c2)Oc5ccc(S(=O)(=O)C)nc5	3
+C1CC(CCO1)Oc2ncnc3ccc(-c4cncc(NS(=O)(=O)c5c(Cl)cc(cc5)Br)c4)nc23	3718
+C1CC(CCO1)Oc2c3[nH]c(cc3cc(c2)Oc4ccc(S(=O)(=O)C)nc4)C5=NCC(S5)CC(=O)OCC	892
+C1CC(CCO1)Oc2cc(Oc3ccc(S(=O)(=O)C)nc3)cc4cc(C(=S)N)[nH]c24	742
+C1CC(CCO1)Oc2cc(Oc3ccc(S(=O)(=O)C)nc3)cc4cc([nH]c24)C(N)=O	247
+C1CC(CCO1)Oc2cc(ccc2Nc3c4c(C)c(sc4ncn3)C(NCCCCN(C)C)=O)F	6353
+C1CC(CCO1)Oc2ccc(cc2)S(=O)(=O)Cl	6354
+C1COCCC1Sc2cc3c(ccnc3cc2OC)Nc4n[nH]c(c4C)C	607
+C1COCCC1Sc2cc3c(Cl)ccnc3cc2	1524
+C1COCCC1c2c(nccc2)Oc3ccc(cc3)N	1605
+CC1(C)C(C)(C)OB(O1)c2c(cc(cc2F)C3CCOCC3)F	1327
+c1cc(ccc1)CNc2cc(ccc2OC)C3CCOCC3	250
+C1COCCC1c2ccc(cc2)[N+]([O-])=O	31
+C1CC(CCO1)c2cnc(c(n2)-c3ccc(c(c3)F)C(=O)O)N	1
+CC(C)(C)OC(=O)NCC(c1cc(cc(Br)c1)F)NC(c2c(F)cc(-c3c(ncc(C4CCOCC4)n3)N)cc2)=O	14
+C1CC(CCC1)C(c2cc(sc2CC)C3CCOCC3)O	6355
+C1CC(CCO1)n2ncc(N)c2Cl	209
+C1CC(CCO1)n2c3ccc(cc3nc2C)-c4nc5cc(Cl)ccc5o4	1328
+C1CC(CCO1)n2nc(c3c(nccc23)O)-c4cc(C(=O)OC)sc4	104
+C1CC(CCO1)n2nc(c3c(nccc23)O)-c4cc(sc4)C(=O)O	1
+C1CC(CCO1)n2nc(c3c(nccc23)O)-c4csc(C(N)=O)c4	6356
+CC1(C)CC=C(CC1)c2c(N)ccc(C3(CCS(CC3)(=O)=O)C#N)c2	563
+C1CC1NC(Nc2ccc(cc2)-c3nc4N5CCOCC5(C)C(=O)N(C6CCS(CC6)(=O)=O)c4cn3)=O	261
+C1CS(=O)(=O)CCC1CCO	991
+C1CSCCC1N2c3c(N4C(C2=O)(COCC4)C)nc(nc3)Cl	3719
+CC(C)(C)N1CCC(CC1)=O	6357
+C12C[Se]CC(CN(C1)CCc3ccccc3)C2=O	6358
+C1N2CCN(CC2CCC1CO)c3c4c(cccc4)on3	2573
+C1CC(CN2CCCC2=O)Cc3[nH]c4c(c13)c(ccc4C(=O)N)Br	1553
+C1c2c3c([nH]c2CC(C=O)C1)c(ccc3Br)C(=O)N	378
+C1CC(Cc2c1c(OCC3CO3)ccc2)O	72
+c1nc(ncc1F)N2CCN3C(CCC(C3)Cn4ccc5c4ccc(F)c5)C2	117
+CC(C)(C1CCC(CC1)(F)F)NC(=O)N2Cc3c(C(=O)N)c(-c4cc(Cl)c(F)cc4)nn3CC2	6359
+CC(C)(C)C(NCc1ccc(c(c1F)C(Nc2cccc3c2nc(nc3NC4CCC(F)(F)CC4)C)=O)Cl)=O	487
+C1CC(F)(F)CCC1Nc2nc(nc(NC3CCC(F)(F)CC3)n2)-c4nc(NN)ccc4F	1606
+C1CC(F)(F)CCC1Nc2nc(nc(NC3CCC(F)(F)CC3)n2)-c4c(ccc(N)n4)F	2574
+C1CC(CCC1(F)F)Oc2cc(F)c(C(=O)OC)cc2C3CC3	2530
+C1CC(CCN1C(=O)C(NC(=O)c2c3nc(-c4cn(CC)nc4)cnc3[nH]c2)C5CC5)(F)F	6360
+C1CN(CCC1(F)F)C(=O)c2sc3ccc(OC4CCN(CC4)C(C)C)cc3c2	867
+c1cc(ccc1)C(N2CCC(F)(F)CC2)C(=O)O	6361
+FC1(F)CCN(CC1)Cc2c3n(c(n2)Br)cccc3	879
+C1CN(CCC1(F)F)c2nc(Cl)cc(C)c2[N+]([O-])=O	43
+C1CC(CCN1CCOc2ccccc2Br)(F)F	236
+C1CN(CCC1(F)F)C(=O)Oc2ccc(cc2)[N+]([O-])=O	66
+CC(C)(C)OC(N1CCC(CC1)n2cc(cn2)-c3c(OCCC)c4c(cc3)N(C(=O)OC)C(C)CC4)=O	320
+C1CC(N(C(=O)OC)c2ccc(Br)c(OCCC)c12)C	8
+C1(Nc2cc(C(=O)OC)cnc2N3CCCC13)=O	1530
+O=S(=O)(c1ccc(cc1)F)NC2Cc3c(c(n4ccccc34)CC(=O)OCC)CC2	71
+Cc1nc(N2CCC(N3C(C)CCC3)C2)ccc1[N+]([O-])=O	43
+CC(C)(C)OC(NC(C1CCCCC1)C(=O)N2CCCC2c3cc(-n4cnc5ccccc45)ncc3)=O	10
+C1CC(NC1C(=O)OC)=O	27
+c1cc(ccc1C(Nc2c(CNC(=O)C3NC(CC3)=O)cc(F)c(Nc4[nH]nc(c4)C5CC5)n2)C)F	9
+CC(C)(C)OC(=O)N1C(CCC1=O)C(OC)=O	6362
+CC(C)CN1C(C(=O)N)CCCC1	2575
+C1CC(NCC1)C(=O)N	327
+C1CCN(c2c([N+]([O-])=O)cc(cn2)C(=O)OC)C(C1)C(OC)=O	3720
+C1CN(CCN1)CCCOc2cccc3c2CCC(=O)N3	53
+[N-]=[N+]=NC1CCc2c(C)cccc12	841
+C1(=O)C(C#N)=CN(c2cc3c(N(C(S3)=O)C)cc2)C(=O)N1C4c5cccc(Cl)c5CC4	3367
+c1cc(ccc1C#N)Nc2c3CCC(c3ncn2)OC	73
+c12C(CCc1c(cc(Br)c2F)F)O	74
+CC1(C)C(C)(C)OB(O1)c2c3c(C(=O)CC3)ccc2	17
+C1c2c(C(N)C1)cncc2Br	3721
+C=1c2cccc(Cl)c2CC=1	2576
+c12ccc(c(O)c1CCC2)C	165
+C1CC(c2ccc(C)c(OC)c12)=O	297
+C1c2c(OCOC)cccc2C(NC)C1	1607
+C1CC(c2c1c(cc([N+]([O-])=O)c2OC)Br)=O	65
+C1c2c(c(c(cc2Br)[N+]([O-])=O)OC)C(C1)=CC#N	2011
+C1CC(O)c2cccc(c12)OC	74
+C1CC(c2ccc(c(c12)Br)O)=O	5
+FC(F)(F)S(=O)(=O)Oc1ccc2C(=O)CCc2c1Br	166
+CC(C)(C)[Si](C)(C)OCC1CCC(Oc2ncnc3c2nc(-c4c5c(cccc5)ccc4)n3C6OCCCC6)C1	3722
+C1CC1n2ncc(-c3ccc4c(c3)N(c5nn(c6c5cccc6)C7OCCCC7)CC(C)N4C(=O)C)c2	3723
+c1cc(ccn1)N2CCC(CC2)C(Nc3ccc4n(C5OCCCC5)nc(-c6[nH]c7c(n6)cccc7)c4c3)=O	33
+c1(nn(C2OCCCC2)c3cc(-c4c(c(cc(OC)c4F)OC)Cl)ncc13)I	662
+C1CC1(NC(C(NC(N2CCC3(CC3)CC2)=O)CC(F)(F)C)=O)C#N	9
+CC(C)(C)OC(=O)N1C(CC(C1)S(=O)(=O)c2c(cccc2)Cl)C(NC3(CC3)C#N)=O	9
+CC(C)(C)OC(=O)NC(C[Si](C)(C)C)C(NC1(CC1)C#N)=O	9
+C[Si](C)(C)CC(NC(=O)c1cccc(I)c1)C(=O)NC2(CC2)C#N	9
+FC(F)(F)C(NC(CCC)C(NC1(CC1)C#N)=O)c2ccc(cc2)Br	9
+C1CC1(NC(C2CCCCC2c3nc(sc3-c4ccc(cc4)N5CCS(=O)(=O)CC5)N6CCC(F)(F)CC6)=O)C#N	9
+O=S1(=O)CCN(CC1)c2ccc(cc2)-c3nc(-c4cccc(Cl)c4F)oc3C5CCCCC5C(=O)NC6(CC6)C#N	9
+C1CC1(C#N)NC(=O)C2C(c3c(nc(-c4cc(c(cc4)F)F)o3)-c5ccc(cc5)Br)CCCC2	9
+C1CC1(C#N)NC(=O)C2C(c3c(nc(o3)-c4cccc(c4)Cl)-c5ccc(cc5)Br)CCCC2	9
+O=S(=O)(C1CC(C(NC2(CC2)C#N)=O)C(COCc3ccc(cc3)OC)C1)c4ccc(F)cc4Cl	271
+c1cc(ccc1N2CCOCC2)-c3sc(nc3C4CCC(F)CC4C(=O)NC5(CC5)C#N)C	9
+c1cc(ccc1-c2c(C3CCCCC3C(=O)NC4(CC4)C#N)oc(n2)-c5cc(c(cc5)F)F)N6CCS(=O)(=O)CC6	79
+c1cc(ccc1-c2nc(-c3cccc(c3)Cl)oc2C4CCCCC4C(=O)NC5(CC5)C#N)N6CCS(=O)(=O)CC6	79
+C1CC1(C#N)c2c(c(ccc2)C(=O)Nc3cccc(Oc4cc5sc(NC(C)=O)nc5cc4)c3)Cl	67
+c1(cc(cc(Cl)c1C2(CC2)CN)Cl)Cl	51
+C1CC1(c2ncc(cc2Cl)Br)CN	51
+c1ccccc1C2C(NCc3c(ccc(C4(CC4)C#N)c3)OC)CCCN2	42
+n1cc(cnc1C2(CC2)CN)C	51
+C1CC1(C(N)=O)c2onc(n2)-c3cc(c(C4CC4)cn3)OCC5CC5	6363
+C1CC1(C(=O)N)NC(=O)c2cccc(N)c2	0
+C1CC1(c2ccccc2C#Cc3nc(Cl)ncc3Cl)C(=O)N	838
+C1CC1(c2c(cccc2)C#Cc3nc(ncc3C)Cl)C(=O)N	838
+FC(F)(F)c1cnc(Nc2cnc(OC)cc2)nc1C#Cc3c(cccc3)C4(CC4)C(=O)N	838
+C1CC1(C(Nc2cc3cc([nH]c3cc2)C(=O)O)=O)c4cc5OCOc5cc4	6
+CN(C)C(=O)c1ccc(cc1)-c2cc(ccc2CO)NC(=O)C3(CC3)c4cc5OCOc5cc4	11
+C1CC1(C(N2CC(C(C2)Nc3c4n(cc(Br)c4)ncc3C(=O)N)OC)=O)C#N	10
+C1CC1(C#N)C(=O)N2CCC(C)C(N(c3c4c([nH]cc4)ncn3)C)C2	10
+c1cc(ccc1CCCCCCCCCCCC)C(=O)NNC(C2(CC2)C#N)=O	708
+C1CC(CCC1)C2(CC2)C(=O)Nc3c(ccc4c3ccc(Cl)n4)Cl	33
+C1CC1(Sc2cc(N=C3SC(N4N3CCCC4)=O)c(F)cc2Cl)C(=O)OC	6364
+C1CC1(Sc2cc(c(F)cc2Cl)N=C=S)C(=O)OC	333
+C1CC1(c2cc3c(cc2)ocn3)C(=O)OC	2577
+C1CC1(C(OCC)=O)Oc2cc(NC(OCC)=O)c(F)cc2Cl	90
+C1CC1(C(=O)OCC)c2ccc(cc2)-c3c(OC)cc(cc3)-c4c(cc(F)s4)NC(=O)OC(C)c5cscc5Cl	2578
+c1cc(ccc1-c2c(OC)cc(cc2)-c3c(cc(F)s3)NC(=O)OC(C)c4cscc4Cl)C5(CC5)C(=O)O	3
+c1c(C)cc(cc1CC(C(NCC#N)=O)NC(c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(N)=O)=O)C	1007
+CC(C)(C)OC(N1CCC(CC1)n2ncc(Nc3nc(CCc4ccccc4C5(CC5)C(N)=O)c(cn3)C)c2)=O	486
+c1cc(ccc1OC)-c2cc3c(NC4C(CN(C(=O)C5(CC5)C#N)C4)OC)c(C(=O)N)cnn3c2	550
+c1cc(ccc1CNC(C2(CC2)NC(c3onc(OC)c3)=O)=O)-n4c5c(c(Cl)c4-c6noc(n6)C)cccc5	1585
+C1CC1(C(=O)Nc2c(C)cc(cc2)Br)C(O)=O	3
+C1CC1(C(=O)Nc2ccc(CO)c(Br)c2)c3cc4OCOc4cc3	88
+CC(C)(C)NC(c1cc2c([nH]1)ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)=O	81
+C1CC1(C(Nc2cc(c(nc2)C)-c3cccc(S(=O)(=O)N(C)C)c3)=O)c4ccc5OCOc5c4	89
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4ccc(c(n4)C5=CC(N(C=C5)CCO)=O)C	6365
+FC1(F)Oc2ccc(C3(CC3)C(Nc4ccc(c(-c5c(OC)ncc(C)c5)n4)C)=O)cc2O1	1608
+O=S(=O)(CCN1C(C=CC(c2c(ccc(NC(=O)C3(CC3)c4ccc5OC(F)(F)Oc5c4)n2)C)=C1)=O)C	3724
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4nc(C5=CN(C)C(=O)C=C5)c(C)cc4	3724
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4ccc(c(n4)-c5cc(cc(C(OC)=O)c5)O)C	362
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4ccc(C)c(-c5cccc(C(O)=O)c5)n4	140
+CC(C)(C)OC(N1CCN(CC1)C2(CC2)C(O)=O)=O	23
+C1CC1(C(OC)=O)c2cc(O)c(cc2)O	27
+c1cc(ccc1Cl)C2(CC2)C(N3CC(S(=O)(=O)c4ccccc4Cl)CC3C(OC)=O)=O	478
+c1cc(ccc1C2(CC2)C(OC)=O)OC	167
+C1CC1(C(=O)O)Nc2c(Cl)cnc(Cl)n2	4
+C1CC1(Oc2ccc(N)c(F)c2)C(OC)=O	0
+c1cc(ccc1C2(CC2)C(=O)OC)-c3csc(n3)N	2579
+C1CC1(c2[nH]c(c(n2)-c3ccc(F)cc3F)-c4nc5c(cc4)nc(NC(COCC)C)o5)C(OC)=O	3514
+C1CCN(C1)C(C2CCCN(c3ccc4c(nc(C5(CC5)c6ccccc6OC)[nH]4)n3)C2)=O	3725
+C1CC1(NC(=O)c2cccc([N+]([O-])=O)c2)C(O)=O	3
+C1CC1(NC(c2cncnc2)=O)C(O)=O	3
+C1CC1(Nc2nc3c(nc2C)cccc3Br)C	3726
+CC1(C)OCC(C2(CC2)O)N(C(=O)c3cn4c(nc(n4)NCc5cccc(Cl)c5)c(OC)c3)C1	211
+C1CC1(C=C(F)CO)c2ccc3c(c2)OCO3	6366
+C1CC1(c2ccc3c(OCO3)c2)C=C(F)COC(=O)C	2580
+C1CC1(c2ccc3c(cccn3)c2)c4nnc5ncc(-c6cc(F)c(C(OC)=O)cc6)nn45	3727
+c1cc(ccc1-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)C(=O)OC	3727
+C1CC1(c2cc(ncc2)Br)C(=O)O	1329
+c1cc(ccc1C(=O)OC)CCC(C=O)CCC2(CC2)CC(OCC)=O	24
+C1CC1(CCN2c3ccccc3C(C)(C)OC2=O)NCC(c4ccc(c5NC(COc45)=O)OCc6ccccc6)O	6367
+C1CC1(CCN2c3ccccc3C(C)(C)OC2=O)NCC(c4c5OCC(Nc5c(O)cc4)=O)O	16
+C1CC1(NC(=O)c2cnc(N3C(=O)C(C=N3)c4ccc(C#N)cc4OC)cc2)CCOC	56
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2cc(F)c(NC(=O)NCC3(CC3)C#N)cc2	675
+c1(-c2cc(cc(-c3cccc(Cl)c3)c2OCOC)C(NCC4(CC4)COCCCCc5ccccc5)=O)cccc(Cl)c1	176
+FC(F)(F)Oc1cc(Oc2nc3N(C)C(N(CC4(CC4)CO)C(=O)c3n2Cc5ccc(cc5)Cl)=O)ccc1	6368
+O=S(=O)(OCC1(CC1)c2[nH]c(-c3ccc4c(n3)oc(NC(COCC)C)n4)c(-c5ccc(F)cc5F)n2)C	3728
+C1CC1(Nc2cccc(c2)C3Nc4c(Cl)cc(C#N)cc4C(C)(C)C3)C(=O)O	2012
+C1CC1(Nc2cccc(C3CC(C)(C)c4c(c(cc(C#N)c4)C)N3)c2)C(=O)O	2012
+CC(C)(C)[Si](C)(C)Oc1c(OC)ccc(CNC2(CC2)C(OC)=O)c1	1528
+C1CC1(C(OC)=O)Nc2c(Cl)cnc(Cl)n2	2581
+c1cc(ccc1)CN2c3c(-c4cccnc4)nc(C(NC5(CC5)C(OCC)=O)=O)c(c3C=C(c6ccccc6)C2=O)O	1008
+CC(C)(C)OC(NC1(CC1)CCO)=O	37
+c1cc(ccc1)-c2cc(Nc3ccc(cc3)CC(C(O)CNC4(CC4)c5cc(ccc5)C(C)C)NC(C)=O)ncn2	122
+Fc1cccc(F)c1COc2c3n(c(C(=O)NC4(CC4)c5ccc(c(c5)F)F)c(C)n3)cc(n2)C	312
+c1cc(ccc1F)-c2c(C(=O)NC)c3cc(ccc3o2)-c4c(C)ccc(C(=O)NC5(CC5)c6ncc(C)o6)c4	14
+C1CSCCN1C2(CC2)C(=O)N3C(C(NC4(CC4)C#N)=O)CC(S(=O)(=O)c5ccccc5Cl)C3	348
+C1CC1(C(=O)N)NC(=O)c2cccc([N+]([O-])=O)c2	83
+c1cc(ccc1CNC(C2(CC2)NC(=O)c3cncnc3)=O)Oc4c(cc(cc4)Br)Cl	9
+C1CC1NC(c2cc(N3C=CN=C(NC4(CC4)c5c(O)cccc5)C3=O)c(C)cc2)=O	513
+C[Si](C)(C)C#Cc1ccc(cc1)C2(CC2)NCc3ccccc3	263
+O=S(=O)(N)OC1(CC1)C	2419
+CC(C)(C)OC(=O)Nc1onc(c1)-c2cc(-c3ccc(cc3)C(=O)N4CCN(CC4)C(C5(CC5)O)=O)ccc2	10
+FC(F)(F)c1ccc(c(c1)CN(C(C2(CC2)O)=O)CC)-c3cc(ccc3OC)CC(OCC)=O	10
+CC(C)(C)[Si](C)(C)OC1(CC1)CC(c2c(F)ccc(Br)c2)=O	655
+C1CC1(OC(=O)c2ccccc2)CCOC3OCCCC3	47
+C1CC1(COC)OS(=O)(=O)N	6369
+CC(C)(C)[Si](C)(C)OC1(CC1)c2c[nH]cn2	19
+CC(C)(C)OC(=O)NC(C)(C)CCNc1c(C2(CC2)O)cccc1	291
+c1ccccc1C(OC2(CC2)CCO)=O	168
+C1CC1(C(=O)OCC)Oc2c(cc(c(N)c2)F)Cl	0
+C1CCCCC1C(n2c(nc3c2cccc3)-c4ccc(cc4)Cl)C(=O)Nc5ccc(cc5F)OC6(CC6)C(=O)OC	33
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(Nc4ccc(cc4F)OC5(CC5)C(OC)=O)=O)C6CCCCC6	33
+CC(C)(C)OC(N1C(CC2(C(C)(C)C23CCC3)C1)C(NC4(C(NS(=O)(=O)C5(CC5)CCC)=O)CC4C=C)=O)=O	207
+C1CC1(C(=O)OC)Sc2cc(c(F)cc2Cl)N	27
+C1CC1(C(=O)OC)Sc2cc(NC(N3NCCCC3)=S)c(F)cc2Cl	6370
+C1CC1(CO)c2nc(-c3ccc(F)cc3F)c([nH]2)-c4ccc5c(n4)oc(NC(COCC)C)n5	95
+C1CC1(C#N)c2c(Cl)c(ccc2)C(=O)O	1
+C1CC1(c2ccc(nc2Cl)Cl)CN	51
+C[Si](C)(C)C#Cc1ccccc1C2(CC2)C(N)=O	311
+C1CC12COc3c2c(OCOC)ccc3C	126
+C1CC1(C(N)=O)c2ccccc2CCc3nc(ncc3C)Cl	801
+C1CC1(C(O)=O)c2cc(O)c(O)cc2	459
+C1CC1(c2ccc(O)c(c2)[N+](=O)[O-])C(=O)OC	5
+C1CC1(c2cc(ccc2)[N+]([O-])=O)C(=O)N	527
+C1CC1(c2cc(N)ccc2)C(=O)N	0
+CC(C)(C)OC(=O)NC1(CC1)c2ccnc(Br)c2	6371
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4nc(c(c(C)c4)C)-c5cc(c(nc5)O)C)=O	104
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4cc(c(C)c(-c5ccc(O)nc5)n4)C)=O	104
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)C3(CC3)c4cc5OCOc5cc4)ccc2C	17
+c1cc(ccc1CO)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C	11
+C1CC1(C(Nc2cc(c(cc2)COC)Br)=O)c3cc4OCOc4cc3	49
+C1CC1(C(=O)O)c2ccc3ocnc3c2	4
+C1CC1(C=O)c2ccc3ncccc3c2	2013
+C1CC1(c2ccc(cc2F)C#CC(CC=3OC(C)(C)OC(=O)C=3)(O)C4CCCC4)C#N	3729
+C1CC(CCC1)NC(C2(CC2)c3c(F)cc(cc3)Br)=O	68
+C1CC1(c2ccc(Br)cc2F)C(=O)Cl	130
+C1CC1(C(=O)OC)c2ccc(O)c(c2)N	0
+C1CC1(c2cc(O)c(O)cc2)C#N	16
+C1CC1(c2ccc(cc2)Br)C(O)=O	1588
+C1CC1(C(N)=O)c2ccc(cc2)-c3ccc(cc3)C(O)=O	11
+C1CCC(C1)(O)c2ccc(cc2)C3(CC3)C(=O)O	251
+c1cc(ccc1C2(CC2)C(OCC)=O)Br	27
+c1cc(ccc1Br)C2(CC2)C(=O)NS(=O)(=O)C	344
+CC(C)(C)OC(=O)NC1(CC1)c2ccc(cc2)Br	37
+FC(F)(F)c1ccc(cc1)Cc2c(c(sc2C)C)C(NC3(CC3)c4ccc(cc4)C#N)=O	2582
+c1cc(ccc1C2(CC2)C#N)N	1497
+CC1(C)OC(=CC(=O)O1)CC(C2CCCC2)(CCc3cc(c(C4(CC4)C#N)cc3)F)O	213
+C1CC1(c2ccc(cn2)Br)C(=O)N	1004
+c1cc(ccc1-c2cnc(C3(CC3)C(N)=O)cc2)C(N4C(=O)NC(CC4)(CC(C)(C)O)c5ccccc5)C	156
+C1CC1(CNC(c2c(nccc2)Cl)=O)c3c(nc(cc3)Cl)Cl	56
+C1CC1(C(Nc2nc(c(C)cc2)Cl)=O)c3ccc4OC(F)(F)Oc4c3	195
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4cc(C)c(c(Cl)n4)C	195
+CC(C)(C)c1[nH]c2ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)cc2c1	33
+CC(C)(c1[nH]c2ccc(cc2c1)NC(=O)C3(CC3)c4cc5OCOc5cc4)CO	33
+C1CC1(c2ccc3c(c2)OCO3)C(=O)Cl	130
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4ccc5[nH]c(cc5c4)C(CO)C	33
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4cc5cc([nH]c5cc4)C(C(OCC)=O)C	33
+C1CC1(C(Nc2cnc(C)c(c2)Br)=O)c3ccc4OCOc4c3	469
+c1ccccc1Oc2c(F)ccc(c2)CC(F)=CC3(CC3)c4ccc5c(OCO5)c4	6372
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4cccc(-c5ccc(cc5)S(=O)(=O)NC)c4	26
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncc(cc2)-c3cn4c(nc3)ncc4C5(CC5)c6cc7cccnc7cc6	2583
+C1CC1(c2cnc3ncc(cn23)-c4ccc(cc4)OCC(N5CCCC5)=O)c6cc7cccnc7cc6	2583
+C1CC1(c2ccc3c(cccn3)c2)c4nnc5ncc(nn45)-c6ccc(C(O)=O)c(F)c6	1
+C1CC1(c2ccc3c(cccn3)c2)c4nnc5ncc(-c6ccc(c(F)c6)C(NCC)=O)nn45	14
+c1cc(ccc1Nc2cc(ccn2)-c3ccccc3)CC(NC(C)=O)C4OC(N(C5(CC5)c6cccc(C(C)C)c6)C4)=O	201
+C1CC1(C(=O)O)C2CCCCC2	6373
+C1CC1(c2ccccc2)C(OC)=O	325
+C1CC1(c2ccccc2I)C(O)=O	184
+C1CC1(c2ccccc2)Nc3cc(ncc3C(=O)N)Cl	105
+c1cc(ccc1N2CCN(CC2)C(CC)=O)Nc3ncc(c(NC4(CC4)c5ccccc5)c3)C(N)=O	201
+C1CC1(c2ccccc2CCc3c(cnc(n3)Cl)Cl)C(N)=O	801
+C1CN(CCC1n2cc(Nc3nc(CCc4c(cccc4)C5(CC5)C(N)=O)c(cn3)Cl)cn2)C	486
+C1CC1(c2ccccc2CCc3c(cnc(Nc4cnc(C(N)C)cc4)n3)Cl)C(N)=O	6374
+C1CC1(c2c(I)cccc2)C(=O)N	83
+C1CC1NC(c2cc(N3C(C(NC=C3)=NC4(CC4)c5ccccc5OCCNCC(O)C)=O)c(C)cc2)=O	284
+C1CC1(C=O)c2ccnc(Br)c2	2013
+C1CCCN1c2ncc(cc2)C3(CC3)C(=O)OCC	43
+C1CCCN1C(C2CCCN(C2)c3ccc(c(N)n3)NC(=O)C4(CC4)c5cccnc5)=O	469
+FC(F)(F)c1nccnc1C(=O)NCC2(CC2)c3c(Cl)cc(Br)cn3	312
+c1nc(ncc1C)C2(CC2)NC(c3ccc(C)c(c3)-c4cc5c(c(-c6ccc(cc6)F)oc5cc4)C(=O)NC)=O	14
+CC(C)(C)OC(NC1(CC1)c2ncccc2)=O	37
+CC(C)(C)S(N=C1c2cc(ccc2CCC13CC3)Br)=O	2552
+C1CC12C(CN(c3c(cc(c(F)c3OC)C(O)=O)F)C2)NC(c4ccccc4)C	6
+FC(F)(F)Oc1cc(ccc1)N2CCN(C(=O)CC2)C(CCN3CCC4(CC4)C(O)C3)C(OC)=O	61
+C1CC12C(CN(C(=O)CCN3C(=O)C(C)N(CC3)C(=O)C=Cc4cc(Cl)c(cc4)F)CC2)O	10
+C1CC12c3c(c(F)cc(c3)-c4ccc(C#N)n4C)NC2=O	3730
+C1CC12c3ccncc3N(Cc4cc5c(c(cc(Cl)c5)F)n4CCC(OCC)=O)C2=O	6375
+C1CC12c3ccncc3N(Cc4nc5c(c(cc(c5)Cl)F)n4C6CCS(=O)(=O)C6)C2=O	3731
+O=S1(=O)CC2(CC(C2)n3c4ccc(Cl)cc4nc3CN5C(=O)C6(CC6)c7ccncc57)C1	3731
+Fc1cc(cc(F)c1)-c2ccc3c(c2)C4(NC(=N)C(C)=N4)C5(CC5)CC3	6376
+C1CC12C3(NC(=N)C(C)=N3)c4cc(ccc4CC2)-c5cc(C#N)cc(F)c5	6377
+FC(F)(F)c1ccc(cc1)CN2CCC3(CC3)CC2(C)C(NC(C)c4ccc(cc4)C(OC)=O)=O	1330
+C1CC12N(C(CC2)CO)C	168
+c1cc(ccc1)CN2CC(O)C3(CC3)CC2	100
+FC(F)(C)CC(C(OC)=O)NC(=O)N1CCC2(CC2)CC1	3508
+n1cc(cnc1Oc2c3C4(CC4)CCOc3ccc2)[N+]([O-])=O	893
+C1CC12CCOc3c2c(O)ccc3	241
+C1CC12C3(c4cc(ccc4CC2)Br)N=C(C(C)=N3)N	6378
+CC(C)(C)OC(=O)n1ccc2c(ncnc12)N3CC4(CC4)N(S(=O)(=O)NC5CCC5)CC3	6379
+C1CC(CCC1)N2CC3(CC3)C(=O)N(c4c2nc(nc4)Cl)C	998
+CC(C)(C)OC(=O)N1C(CC2(CC2)C1)CO	23
+CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O	123
+CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(Oc2ccc(c3c2C4(CC4)CO3)C)nc1)CC	469
+C1CC12COc3c(ccc(c23)Oc4ccc(N)cn4)C	13
+C1CC12COc3c(ccc(c23)Oc4ncc(cc4)[N+](=O)[O-])C	136
+c1nc(ncc1[N+]([O-])=O)Oc2ccc(c3c2C4(CC4)CO3)C	893
+C1CC12COc3c2c(O)ccc3C	241
+c1(C)cc(cc(C)c1-c2c(c(CNc3ccc4C(CC(=O)OC)C5(CC5)Cc4c3)ccc2)C)OCC6COC(C)(C)O6	208
+C1CC12CCC(COS(=O)(=O)C)N2C	7
+C1CC12CN(CCN2S(=O)(=O)NC3CCC3)c4c5cc[nH]c5ncn4	6380
+C1CC12CN(c3c2c(C)nc(n3)-c4ccc(OC)c(c4)F)c5cc(OCC(=O)N(C)C)ccc5	648
+C1CC12c3ccncc3N(Cc4cc5c(c(cc(Cl)c5)F)n4CCC(O)=O)C2=O	3
+C1CC1Sc2c(cccc2)Br	6381
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)Nc2c(C#CC3CC3)cccc2	121
+FC(F)(F)C(=O)NCc1cc(C2=NN(C(=O)N2)c3c(F)cc(cc3)C#CC4CC4)c(Cl)cc1	3732
+CC(C)Oc1cc(ccc1C#CC2CC2)C(=O)NS(=O)(=O)c3ccccc3S(=O)(=O)N	197
+C1CC1C#CCOS(=O)(=O)c2ccc(cc2)C	2390
+C1CC1C#CCOc2ccc(cc2)Cc3c(ccc(C4C(O)C(O)C(O)C(CO)O4)c3)Cl	6382
+CC(C)(C)C(NCc1cc(C2=NN(C(=O)N2)c3c(F)cc(cc3)C#CC4CC4)c(Cl)cc1)=O	3733
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C	792
+C1CC1(c2ccc(cn2)Br)C#N	6383
+O=S(=O)(c1cc(ccc1C(=O)c2c(onc2)C3CC3)Cl)C	6384
+C1CC1C=2C(=C3N(C(=O)C=2CCCC)c4ccccc4N3)C#N	3734
+c1cc(ccc1Cl)-c2c(n[nH]c2N)C3CC3	2014
+C1CC1c2c3c(n(-c4c(Cl)cc([N+](=O)[O-])cc4)n2)-c5sc(NC(C)=O)nc5CC3	6385
+C1CC1c2n[nH]c(c2)C3CC3	3735
+C1CC1C(=O)C(=CN(C)C)C(c2ncc(cc2Cl)Cl)=O	6386
+C1CC1c2nc(O)c(C#N)c(c2)C	3346
+FC(F)(F)Oc1ccccc1-c2noc(C3CC3)c2C(OC)=O	3495
+C1CN(CCN1c2cc([N+]([O-])=O)ccc2OC)C(C3CC3)=O	58
+C1CN(CCN1C(C2CC2)=O)c3ccc(cc3)C(=O)O	58
+C1CC1C(Nc2cc(ccc2)-c3ccc(nn3)N4CCN(CC4)C5CC5)=O	26
+C1CC1C(N2CCC(CC2)C(=O)OCC)=O	58
+C1CC1C(N2C(C)CCc3c2cccc3OC)=O	192
+C1CC1C(N2CC(CC2)C#N)=O	1324
+C1CC1C(N2CCC(C2)CC(OCC)=O)=O	1324
+c1cc(ccc1Br)-c2nc(C)c(C)n2CC3CN(C(=O)C4CC4)CC3	1324
+CC(C)(C)OC(=O)NCc1ccc(cc1)-c2csc(NC(C3CC3)=O)n2	290
+CC(C)(C)OC(=O)Nc1cc(Oc2cn3c(nc(n3)NC(=O)C4CC4)cc2)ccc1Cl	784
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(ncc2Cl)[nH]cc3NC(C4CC4)=O)C1	308
+CC(C)(C)OC(NC1CN(CC1)C(=O)C2CC2)=O	58
+CC(C)(C)OC(Nc1c(F)ccc(Oc2ccc3nc(sc3n2)NC(C4CC4)=O)c1)=O	290
+CC(C)(C)OC(Nc1c(ccc(c1)Oc2ccc3nc(nn3c2)NC(=O)C4CC4)C)=O	784
+CC(C)(Cn1c2c3ccccc3nc(N)c2nc1CONC(C4CC4)=O)O	3736
+FC(F)(F)C(N1c2c(N(CC1C)C(C3CC3)=O)cc(cc2)Br)=O	192
+FC(F)(F)C(=O)Nc1cc(N(c2nc3sc(NC(C4CC4)=O)nc3cc2)C)ccc1F	290
+FC(F)(F)c1c(CN(C(=O)C2CC2)Cc3ncccc3)ccc(C=CC(C(F)(F)F)c4cc(Cl)c(c(c4)Cl)Cl)c1	58
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3sc(NC(=O)C4CC4)nc3cc2)c(Cl)cc1F)=O	290
+FC(F)(F)C1(Cc2cc(ccc2O1)-c3c(F)c(NC(C4CC4)=O)ccc3)c5cc(Cl)cc(Cl)c5	26
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)Cc3c(O1)ccc(-c4cccc(NC(C5CC5)=O)c4)c3	26
+FC(F)(F)c1ccc(-c2cc(CC#N)ccc2OC)c(CN(CC)C(C3CC3)=O)c1	58
+FC(F)(F)c1cc(cc(c1)NC(=O)C2CC2)-c3cnco3	26
+C1CC1C(Nc2cc(-c3nn(C)c(OC(F)F)c3Cl)ccc2Cl)=O	26
+C1CC1C(Nc2c(ccc([N+](=O)[O-])c2)F)=O	26
+C1CC1C(=O)Nc2cc(ccn2)[N+](=O)[O-]	195
+c1cc(ccc1)S(=O)(=O)c2c([nH]c3ccc(cc23)Cl)NC(=O)C4CC4	195
+C1CC1C(Nc2c[nH]c3ncc(OCC)c(F)c23)=O	308
+C1CC1C(N2CC(CNc3c([N+]([O-])=O)ccc(c3)F)CC2)=O	58
+C1CC1C(Nc2cccc(Br)c2)=O	26
+C1CC1C(N2CC(CC2)Nc3c4c(n(CC)c(C(=O)OC)n4)ncn3)=O	58
+C1CC1C(Nc2ncc3cc(ccc3c2)Br)=O	195
+C1CC1C(Nc2cn3c(ccc(n3)I)n2)=O	1841
+C1CC1C(N(CC)Cc2c(ccc(F)c2)-c3c(OC)ccc(CC(OCC)=O)c3)=O	58
+C1CC1C(Nc2ccc(c(OC)c2)-c3oc(-c4c(-c5ccccc5)noc4C)nn3)=O	26
+C1CC1C(=O)N(Cc2ccccc2)CCn3c4ncnc(N)c4c(-c5cc(cc(O)c5)F)n3	58
+c1cc(ccc1)N2C(=O)C(=C3COCCN23)C(=O)Nc4cc(c(Oc5ccnc(c5)NC(C6CC6)=O)cc4)F	195
+c1cc(ccc1-c2ccc3nnc(n3c2)Sc4ccc5c(sc(NC(=O)C6CC6)n5)c4)F	290
+c1cc(ccc1-c2n(c3cc(ccc3c2C#N)OCC)CC)NC(=O)C4CC4	26
+c1cc(ccc1CC2N(C(=O)C3CC3)CCC2)Cl	58
+C1CC1C(Nc2ccccc2Oc3nc(Cl)ncc3Cl)=O	26
+C1CC1C(=O)Nc2nn3c(ccc(c3)Oc4cc(C)cc(c4)NC(=O)c5n(nc(C)c5)C)n2	784
+C1CC1C(=O)NC2c3c(c(-c4ccc5N(C)C(=O)CCc5c4)cnc3)CCC2	68
+C1CC1C(=O)Nc2nn3cccc(Br)c3c2	195
+C1CC1C(=O)Nc2ncc(c(c2)NC(=O)c3c(Cl)cc(cc3Cl)Cl)F	1153
+C1CC1C(=O)N2C(C)CCc3c(OC4CCC4)c(-c5c(n(C6CC6)nc5)NS(=O)(=O)C)ccc23	802
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-n3c4c(C(=O)N(C=N4)CC5(CCN(CC5)C(=O)C6CC6)O)cn3	17
+C1CN(CCC1C(=O)N2CC(C(CC2)N(C(c3ccc(cc3)Br)=O)C)c4cc(c(Cl)cc4)Cl)C(=O)C5CC5	10
+c1cc(ccc1-c2cc3c(c[nH]n3)cc2)-c4nc5c(cc(F)cc5)n4CC6CN(CC6)C(=O)C7CC7	803
+C1CNCCN1CC2CC2	15
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c2)N(CC(C)N3)C(C4CC4)=O	17
+C1CC1c2n3c4cc(Br)ccc4ncc3nn2	6387
+c1cc(ccc1N2C(=CC=C(C(Nc3ccc(cc3)Oc4ccc5n(c4)cc(NC(=O)C6CC6)n5)=O)C2=O)CC)F	6388
+C1CC1C(=O)Nc2nc3n(n2)cc(cc3)Oc4cc(c(cc4)C)NC(=O)c5c(C)sc(C)n5	2015
+C1CC1C(=O)Nc2nc3n(cc(Oc4ccc(c(c4)NC(c5c(nn(CC)c5)C)=O)Cl)cc3)n2	3737
+CC(C)(C)OC(=O)N1CCC(C1)Oc2ccc(cc2)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5	3738
+c1cc(ccc1-c2c3n(ccc2)nc(c3)NC(=O)C4CC4)C=O	1009
+FC(F)(F)Oc1cc(ccc1)C(=O)Nc2c(cc(Cl)c(Oc3c(C#N)c4sc(NC(=O)C5CC5)nc4cc3)c2)F	67
+C1CC1C(=O)C(c2ccc(cc2)Cl)C#N	1260
+c1ccc(C)cc1C(CCCCl)=O	6389
+Clc1cc(cc(Cl)c1O)-c2ccc3ncc(c(c3c2)NC4CCC(CC4)CN5CC(O)CC5)C(C6CC6)=O	99
+C1CC1C(c2cnc3c(c2Cl)cc(Br)cc3)=O	120
+C1CC1C(Oc2cccc3ccccc23)C(OCC)=O	289
+C1CC1C(C(Nc2ccc(cc2)Cl)=O)Oc3c4c(cccc4)ccc3	33
+C1CC1C(=O)CC(=O)C2CC2	3739
+C1CC1C(=O)CC(C)=O	6390
+C1CC1C(CC(=O)C(=O)OCC)=O	1135
+C1CC1C(=O)CC(=O)c2c(cc(cn2)Cl)Cl	6391
+C1CC1C(Nc2c3cc(cn3ncc2C(=O)N)Br)C	719
+C1CC1C(NCCCn2c3ncnc(N)c3nc2Sc4cc(Cl)cc(c4)Cl)C	132
+c1cc(ccc1Cl)Cn2c3c(NC(C4CC4)C)nc(nc3nc2-c5c(ccc(C)c5)OCCC=C)Cl	516
+C1CC1C(C)n2ncc(-c3nc(cc4nccn34)-c5cnn(C)c5)c2	2010
+C1CC1C(C)Oc2cccc(C(OC)=O)c2	20
+C1CC1C(Oc2cccc(c2)C(O)=O)C	1
+C1CC1C(C2CC2)(O)C#Cc3ccc(cc3)C(NS(=O)(=O)c4c(cccc4)S(=O)(=O)N)=O	121
+c1cc(ccc1OC)Cn2ncc3c2nc(cc3C(OCC)=O)C4CC4	3740
+CC(C)(C)Cc1nc(ccc1-c2cc(ccc2F)OC)COc3cc(ccc3F)C(CC(=O)OC)C4CC4	412
+CC(C)(C)Cc1c(ccc(n1)COc2cccc(C(CC(=O)OC)C3CC3)c2)-c4cc(OC)ccc4F	1538
+CC(C)COc1cc(COc2cccc(C(CC(OC)=O)C3CC3)c2)c(nc1-c4cc(OC)ccc4F)OC	20
+CC(C)(C)CCc1c(OCc2cccc(C(C3CC3)CC(=O)OCC)c2)ccc(-c4cc(ccc4F)OC)c1	20
+C1CC1C(=O)C(CCCC)C(=O)OCC	6392
+C1CC1C2(COCC(=O)N2)c3c(ccc(c3)Br)F	467
+C1CC1c2nc(on2)C3CN(CC(C3)c4ccc(cc4)OC(F)F)C(=O)N5CCS(CC5)(=O)=O	2584
+c1ccccc1Oc2c3c(ccc2Br)N(C(C4CC4)=O)C(CC3)C	472
+C1CC1C(N2C(C)CCc3c(cccc23)O)=O	5
+C1CC1CN2C3Cc4ccc(OCC)cc4C5(CC2)COCCC35	15
+C1CC1C(N2C3C4CCOCC4(CC2)c5c(C3)ccc(OCC)c5)=O	116
+C1CC1C(=O)N2CC(CC2)CN	51
+C1CC1C(N2CC(CC3=NNC(=O)N3c4c(F)cc(c(c4)F)Br)CC2)=O	2585
+C1CC1C(N2CC(CC3=NNC(=O)N3c4cc(F)c(-c5ccc6occc6c5)cc4F)CC2)=O	99
+C1CC1C(=O)N2CCC(Cn3c(-c4ccc(cc4)Br)nc5c3cc(F)cc5)C2	1301
+C1CC1C(N2CC(CNc3c(N)ccc(c3)F)CC2)=O	0
+C1CC1C(N2CC(CC2)CC(=O)NNC(Nc3c(F)cc(c(c3)F)Br)=O)=O	3741
+C1CC1C(N2CC(CC2)CC(=O)NNC(Nc3ccc(c(F)c3F)Br)=O)=O	3741
+FC(F)(F)c1c(NC(NNC(=O)CC2CN(C(=O)C3CC3)CC2)=O)ccc(Br)c1	3742
+c1cc(ccc1Br)NC(=O)NNC(=O)CC2CN(C(=O)C3CC3)CC2	3742
+C1CC1C(N2CCC(C2)CC(=O)NN)=O	743
+C1CC1C(=O)N2CCC(CC2)C(O)=O	3
+c1ccccc1C(C)NC(C2CC2)CN	51
+C1CC1C(NC2COC3C(N)COC23)=O	18
+CCC(CC)Oc1cc(C(NC2COC3C(COC23)NC(C4CC4)=O)=O)ccc1	14
+c1cc(ccc1Oc2cccc(C(NC3C4OCC(C4OC3)NC(C5CC5)=O)=O)c2)OCC	14
+CC(C)(C)OC(=O)NNc1cc(CNC(C2CC2)=O)ccc1Cl	1609
+C1CC1c2oc(-c3c(N)ncc(Br)c3)nn2	3743
+c1cc(ccc1-c2nc(C3c4nnc(C5CC5)n4CCC3)n6c2c(ncc6)NCc7c(OC)cc(cc7)OC)C(=O)OC	6393
+C1CC1c2nnnn2-c3c(F)ccc(c3)[N+](=O)[O-]	6394
+C1CC1C(Nc2c(cnn3cc(cc23)-c4cc(ccc4)C=C)C(=O)N)C	550
+CC(C)(C)OC(NC1CN(CCC1)c2c3c(NC(C4CC4)=O)c[nH]c3ncc2OCC)=O	1610
+c1cc(ccc1)-c2noc(C)c2-c3oc(nn3)-c4ccc(cc4OC)N(C(C5CC5)=O)C	239
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)C3CC3)ccc2	17
+C1CC1C(Nc2nc3n(nc(Oc4ccc(Cl)c(NCc5cc(C)nn5C)c4)cc3)c2)=O	2586
+C1CC1C(Nc2nc3n(nc(cc3)Oc4ccc(c(N)c4)C)c2)=O	2586
+C1CC1C(Nc2nc3n(nc(Oc4ccc(F)c(N)c4)cc3)c2)=O	2586
+FC(F)(F)c1cc(Cl)c(cc1)NC(Nc2cc(N(c3nc4sc(NC(=O)C5CC5)nc4cc3)C)ccc2F)=O	124
+FC(F)(F)c1cccc(CNC(Nc2c(ccc(c2)Oc3ccc4nc(sc4n3)NC(C5CC5)=O)F)=O)c1	675
+C1CC1C(Nc2nc3n(nc(Oc4cc(NC(c5sc(C)nc5OC)=O)c(cc4)F)cc3)c2)=O	6395
+C1CC1C(Nc2nc3n(nc(Oc4cc(NC(c5cc(C)nn5CCOC)=O)c(cc4)F)cc3)c2)=O	187
+C1CC1C(=O)Nc2nc3ccc(Oc4cc(NC(=O)C5CCCC5)c(C)cc4)nn3c2	26
+C1CC1C(Nc2ncc3cc(-c4cc(ccc4C)NC(N5CCOC(CO)C5)=O)ccc3c2)=O	2016
+C1CC1C(Nc2ncc3c(ccc(-c4c(C)ccc(N)c4)c3)c2)=O	99
+C1CC1C(Nc2ncc3c(ccc(-c4c(cc(cc4)Cl)C)c3)c2)=O	11
+C1CC1C(c2c(O)c(Br)ccc2)C	564
+C1CN(CCN1c2ncc(c3ccccc23)[N+]([O-])=O)C(=O)C4CC4	10
+C1CN(CCN1C(OCc2ccccc2)=O)C(=O)C3CC3	10
+C1CC1C(NC2C3C(OC2)C(CO3)N=[N+]=[N-])=O	9
+FC(F)(F)c1ccc(-c2c(ncc(Br)c2)OC)c(c1)CN(CC)C(C3CC3)=O	10
+C1CC1C(=O)Nc2sc3nc(ccc3n2)Cl	373
+C1CC1C(=O)NNc2cnc3c(n2)cc(cc3)Br	355
+C1CC1C2Oc3cc(Cl)ccc3-c4c2cncc4	57
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C=2C(c3ccccc3)C(O)(ON=2)C4CC4	6396
+C1CC1C(Oc2cccc(c2)CCl)C	1331
+C1CC1C(Oc2cc(ccc2)CO)C	49
+C1CC1C(C(O)=O)Oc2c3c(cccc3)ccc2	3
+C1CC1C(c2cccc(Br)c2OCc3ccccc3)C	22
+C1CC1C(CC(=O)OC)c2cc(c(F)cc2)O	5
+C1CC1C(=O)c2cc3c4c(ccc3cc2)ccc(c4)Cl	155
+c1cc(ccc1C(=C(C=Cc2ccc(F)c(Oc3ccccc3)c2)F)C4CC4)Cl	6397
+C1CC1C(CC(=O)OC)c2cccc(c2)O	27
+C1CC1C(c2cnc3ccc(cc3c2Nc4ccc(nc4)NCCN(C)C)Br)=O	1332
+C1CC1C(=O)c2c(Nc3ccc(nc3)NCCN(C)C)c4cc(ccc4nc2)-c5cc(Cl)c(O)c(F)c5	99
+CC(C)COc1nc(CNc2ncnc(c2)C(CC(=O)OCC)C3CC3)ccc1-c4c(F)ccc(OC)c4	40
+CC(C)(C)[Si](C)(C)OC(c1nccs1)C2CC2	19
+C1CC1C(CC#N)n2cc(cn2)-c3nc(cc4n3c(cn4)Cl)-c5cn(C)nc5	6398
+C1CC1C(CC#N)n2ncc(-c3nc(-c4cn(C)nc4)cc5n3c(I)cn5)c2	6399
+CC(C)(CO)n1ncc(c1)Nc2nc(N3C(=O)C(C4CC4)(C#N)CC3)ccn2	486
+C1CC1C2(C(N(c3ccnc(Nc4ncc(cc4)C=5NC(ON=5)=O)c3)CC2)=O)C#N	834
+C1CC1C2(C3CC3)c4c(NC(O2)=O)ccc(-c5cc(C#N)cc(F)c5)c4	160
+C1CC1C2(C3CC3)OC(Nc4ccc(cc24)-c5cc(cc(c5)Br)F)=O	11
+FC(F)(F)CC(=O)Nc1ccc(cc1)Sc2nc(cc(N3CC(C3)(C4CC4)F)n2)Nc5n[nH]c(c5)C	3624
+C1CC1C2(CN(C2)c3cc(Nc4n[nH]c(c4)C)nc(S(=O)(=O)C)n3)F	528
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C4(NC(=O)COC4)C5CC5)c(F)cc3	2017
+C1CC1C2(c3c(ccc(c3)NC(=O)c4ccc(cn4)Cl)F)NC(=S)COC2	187
+C1CC1C(c2cc(Br)ccc2F)(CO)N	886
+C1CC1C2(c3c(ccc(c3)NC(=O)c4ccc(cn4)Cl)F)NC(=N)COC2	2518
+c1nc(ncc1)NC2C(C)C(N(c3c2cc(cc3)Br)C(=O)C)C4CC4	1333
+C1CC1C2N(c3ccc(cc3C(C2C)Nc4cccc(n4)C)-c5cn(nc5)CCOC)C(=O)C	340
+CC(C)(C)OC(NC(COc1cc2OC(C3CC3)c4c(ccnc4)-c2cc1)CC(C)C)=O	556
+c1cc(ccc1C(NCCCN(C)C)=O)N2C(C=3C(=N2)c4ccccc4NC=3C5CC5)=O	93
+C1CC1C(n2cc(cn2)-c3n4c(ncc4)cc(-c5cnn(C)c5)n3)CC#N	3744
+C1CC1CN2CCN(CC2)c3c(cccc3)Br	61
+CC(C)(C)OC(N(CC1CC1)C2CC2c3cc(C(=O)OC)ccc3)=O	6400
+CC(C)(C)OC(N1CCC(CC1)N2CCN(CC2)CC3CC3)=O	61
+C1CC1CN2CCc3c(ccc(Oc4ncc(-c5onc(n5)C)cc4)c3)CC2	61
+C1CC1C(c2cc3c(cc2)ccc4ccc(Cl)cc34)O	1482
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(N)ncnc4n(CC5N(CCC5)C(C(=CC6CC6)C#N)=O)n3)F	847
+C1CC1CN2Cc3c(nc(nc3N4C(C)COCC4)Cl)C2	61
+c1cc(ccc1)CN(Cc2ccccc2)C(C(O)C3CC3)C(=O)OCC	6401
+c1cc(ccc1-c2c3c(N)ncnc3n(CC4N(CCC4)C(C(=CC5CC5)C#N)=O)n2)Oc6cc(F)cc(c6)F	847
+c1cc(ccc1-c2nn(C3CN(CCC3)C(C(=CC4CC4)C#N)=O)c5ncnc(c25)N)Oc6c(cccc6)F	847
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6c(ccc(F)c6)F	847
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6cccc(F)c6	847
+C1CC1CN(CC2CC2)CCn3ccc4c3ccc(C#Cc5ncc(cc5)-c6ccc(cc6)Cl)c4	61
+Clc1cc(cc(Cl)c1)NC(N(CC2(CCN(CC2)CC3CC3)c4ccc(cc4)I)C)=O	61
+C1CC(CCN1CC2CC2)Oc3ccc(cc3)NC(=O)C4CN(C4)c5cnccc5	61
+c1ccccc1Oc2cc(c(cc2)-c3nn(CC4N(CCC4)C(C(=CC5CC5)C#N)=O)c6ncnc(N)c36)F	847
+FC(F)(F)c1cc(N(C(C)(C)C)CC2CC2)ccc1[N+]([O-])=O	936
+CC(C)(C)OC(=O)N1CC2(CN(CC2)c3ccc(cc3F)N4C(=O)c5c(cc(OCC6CC6)cc5)C=C4)CC1	8
+CC(C)(C)OC(=O)N1CCC(CC1)OCC2CC2	176
+CC(C)(C)OC(N1CCC=2C(COCC3CC3)(C1)Cc4cnn(c4C=2)-c5ccc(cc5)F)=O	176
+CC(C)(C)OC(NC1C(c2ccccc2)Oc3c(cccc3)N(CC4CC4)C1=O)=O	988
+CC(C)(C)OC(N(c1c(CC)nn2c(cccc12)Br)CC3CC3)=O	6402
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(=O)NC2=C(N(C(N(Cc3ccccc3F)C2=O)=O)CC4CC4)N	6403
+CC(C)(C)OC(N1CC(c2cc(OCC3CC3)ccc2C1)O)=O	8
+CC(C)(C)OC(N1CCC(CC1)CCc2noc3c(CO)c(ccc23)OCC4CC4)=O	8
+CC(C)(C)OC(NC(C)COC1CCN(CC1)c2oc3cc(OCC4CC4)ccc3n2)=O	8
+CC(C)(C)OC(=O)NC1C(=O)N(C(CCC1)c2ccccc2)CC3CC3	638
+CC(C)N1CCC(CC1)Oc2ccc3c(c2)cc4n3C(CN(C4=O)CC5CC5)C	3459
+C1CC1CN2CCN(c3sc(c(n3)C)C(OCC)=O)C2=O	1794
+FC(F)(F)COc1c(Cl)cc(C(CC2CC2)C(OCC)=O)cc1Br	3611
+FC(F)(F)Oc1ccc(cc1)CC(C#N)(C#N)CC2CC2	3745
+FC(F)(F)c1cccc(F)c1C(=N)NOCC2CC2	6404
+C1CC1Cn2c3c(c(Nc4cc(ccc4)C(=O)OC)n2)CN(CC3)C(=O)C	338
+C1CC1COc2c(ccc(C(OC)=O)c2)C=O	8
+C1CC1COc2c(OCOC)cccc2Br	8
+C1CC1COc2ccccc2[N+]([O-])=O	8
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(OC)c(S(=O)(=O)CC3CC3)c2	3398
+C1CC1COc2cc(c(OC)cc2Br)F	8
+C1CC1CN2C(c3ccc(cc3C=C2)Br)=O	6405
+C1CC1CN2C(Cc3c[nH]c4c3cc(Br)cc4)CCC2	28
+C1CC1COc2ccc(nc2)Br	458
+C1CC1COc2c(cc(cc2)C(C)=O)Br	8
+C1CC1COc2ccc3c(c2)cc(c(Cl)n3)C=O	8
+c1cc(ccc1CCN2C3(CCN(CC3)Cc4ccccc4)C(N(C2=O)CC5CC5)=O)OC	3284
+C1CC(CCN1CC2CC2)Oc3ccc(cc3)-n4cc(C(N5CCCC5)=O)cn4	28
+C1CC1COc2ccc(cc2)C(CN3C(=O)c4c(N(Cc5ccc(cc5)-c6c(C#N)cccc6)C3=O)sc(c4)CC)=O	8
+c1cc(ccc1OCC2CC2)I	8
+C1CC1Cn2nc(c(Cc3ccc(cc3)OC(C)C)c2C)OC4OC(C(C(O)C4O)O)CO	338
+c1ccccc1CN(Cc2ccccc2)CC(CN3CCN(CC3)CC4CC4)OC	2587
+c1ccccc1CN(Cc2ccccc2)CC(CN3CCN(CC3)CC4CC4)OC	28
+C1CC1CN2C=Cc3nc(SC)ncc3C2=O	6406
+C1CC1CC(NNc2nccc(I)c2Cl)=O	1296
+C1CC1CC(NNc2c(c(OCc3ccccc3)ccn2)C#N)=O	1296
+C1CC1CC(C#N)c2ccc(C(=O)C)nc2	1867
+C1CC1CC(C#N)c2cnc(cc2)C(C)(C)O	6407
+FC(F)(F)COc1cc(ncc1C2CC2)C(NC(CC3CC3)(C)C#N)=O	81
+c1ccccc1COC(=O)NC(C)(C#N)CC2CC2	101
+FC(F)(F)COc1cc(ncc1Cl)C(=O)NC(C)(c2nc(on2)C)CC3CC3	81
+C1CC1CC(CC2CC2)n3cc(-c4n5c(ncc5)cc(n4)-c6cnn(C)c6)cn3	2010
+C1CC1CC(c2nc(on2)C)(NC(=O)OCc3ccccc3)C	6408
+C1CC2(CCN1c3cnn4c(c3Cl)nnc4CC5CC5)C=Cc6ccccc26	6409
+C1CC1CC(NNc2c(Cl)c(N3CCC4(CC3)C=Cc5ccccc45)cnn2)=O	355
+C1CN(CCN1C(CC2CC2)=O)S(=O)(=O)c3cccc4ccccc34	10
+C1CC1CC(C)(c2nc(on2)C)N	102
+C1CC1CCN2c3ccccc3C(=O)C2=O	3200
+c1cc(ccc1C(C)C)NC(C2CCN(CC2)C(CCC3CC3)=O)=O	10
+C1CC1CCCCCCCCC(=O)OCC=Cc2ccc(cc2)C	2580
+C1CC1CCCCCCCCC(=O)Cl	130
+FC(F)(F)c1ccc(cc1C(N2CCN(CC2)c3ccc4nc(C(=O)NCCCC5CC5)cn4n3)=O)F	2588
+C1CC1CCNc2nc(c3c(n(cn3)C4OCCCC4)n2)N	96
+C1CC1CCNCc2ccc(c(c2)F)Oc3cc4c(cc3)C(OC(C)(C)O4)=O	42
+c1cc(ccc1C#N)C2C(=O)N(c3ncc(C(NCCC4CC4)=O)cc3)N=C2	56
+C1CC1CCNC(c2ccc(nn2)Cl)=O	81
+C1CC1CCN2c3ccccc3C(c4cc5c(cc4O)OCO5)C2=O	462
+C1CC1CCN2C(C(c3cc4OCOc4cc3O)(O)c5c2cccc5)=O	3746
+C1CN(CCN1)c2nnc(cc2)C(NCCC3CC3)=O	212
+c1cc(ccc1F)C(=O)C2CCN(CC2)c3nnc(C(NCCC4CC4)=O)cc3	212
+CC(C)(C)OC(N(CCC1CC1)Cc2ccc(c(F)c2)Oc3cc4c(cc3)C(OC(C)(C)O4)=O)=O	23
+C1CC1CCNc2nc3c(c(N)n2)nc(OC)n3C4CCCCO4	1010
+C1CC1CCOc2cc3c4c(ccc(Br)c4)ccc3cc2	20
+C1CC1CCOc2ccc(cc2)OC3C(=O)NCC3	20
+C1CC1CCOc2cc3c(cc2)ccc4ccc(cc34)CC(C)(C)O	2589
+C1CC1COc2ccc3cccc(NC(=O)C)c3c2	72
+C1CC1CN2CC(c3cccc(OC)c3)=CCC2	2480
+C1CC1COc2cc(F)c(c(c2)F)-c3c(C(=O)c4ccc(cc4Cl)F)c(nn3C)C	116
+CC(C)(C)OC(=O)NNc1cccc(C(=O)NCC2CC2)c1	14
+CC(C)(C)OC(NC(C)c1nc2c(c(C(NCC3CC3)=O)c1-c4ccccc4)cc(cc2)F)=O	14
+C1CC1CNc2c([N+]([O-])=O)cc(S(=O)(=O)C(C)C)cc2	205
+FC(F)(F)c1c(cnc(N)n1)CNCC2CC2	2590
+FC(F)(F)c1nc(ncc1C(=O)NCC2CC2)Nc3c(Cl)cc(cc3)Cl	484
+C1CC1CNc2ccnc(n2)N	40
+C1CC1CNS(=O)(=O)C	111
+c1cc(ccc1Cl)-c2ccc(nc2)C#Cc3cc4c(cc3)n(CCNCC5CC5)cc4	285
+O=S(=O)(c1ccccc1-c2cc(c(NC(=O)CNCC3CC3)cc2)F)C	1229
+C1CC1CNC(c2nccc(c2)Cl)=O	81
+C1CC1CN2C(Cc3c2ccc([N+]([O-])=O)c3)=O	1611
+C1CC1CNc2nc(C)nc(c2C)O	40
+C1CC1CNc2nccc3c2nc(nc3)Nc4ccc(cc4C)-c5cn(nc5)C	6410
+C1CC1CNc2cncc(Cl)n2	464
+C1CC1CN2C(c3c(cc(cc3)Br)C(C(OC)=O)=C2)=O	6411
+C1CC1CNCCN2C(=O)N3C(C)(C2=O)Cc4c([nH]c5ccc(OC)cc45)C3c6cc(ccc6)O	132
+c1cc(ccc1)Nc2ncc(c(n2)NCC3CC3)CC(C(OC)=O)c4ccc(cc4)OC	40
+c1cc(ccc1-c2cncc3ccc(C(=O)NCC4CC4)cc23)Cl	14
+c1cc(ccc1C(NCC2CC2)=O)-c3cc(ccc3C)-c4nnc(C)o4	93
+c1cc(ccc1COc2cccc(c2)CNCC3CC3)Cl	42
+c1cc(ccc1S(=O)(=O)Nc2c3c(nc(NC4c5c(CC4)cccc5)cc3)ccc2)NCC6CC6	60
+C1CC1CNc2c3ncn(C)c3nc(n2)Cl	516
+C1CC1CNc2nc(cnc2)-n3cnc4ccc(N)cc34	464
+C1CC1CN(C(N(N=O)CCCl)=O)C2OC(CO)C(C(O)C2O)O	2591
+C1CC1CN(c2nc(Cl)c(nc2)C=O)C	6412
+C1CC1CN(c2ncnc(C(=O)OC)c2)CCC	3671
+c1cc(ccc1NC(c2ncnc(N(CC3CC3)CCC)c2)=O)Cn4ccnc4	187
+c1ccccc1CN2Cc3c(OCC2)nc(N(CC4CC4)C)cn3	799
+C1CC1CN(c2cnc(c(Cl)n2)CN(CCO)Cc3ccccc3)C	879
+C1CC1CN(CCC)c2ncnc(C(=O)O)c2	1
+C1CC1CN2C(CO)=C(OCCCC)c3cc(ccc3C2=O)Br	3747
+C1CC1CN2C(NC(=O)C=C2NN=Cc3ccnc4ccc(cc34)Cl)=O	3748
+c1cc(ccc1)C2Oc3ccccc3N(C(=O)C2NC(C(NC(=O)Cc4cc(F)cc(F)c4)C)=O)CC5CC5	207
+C1CC1CN2C(=O)N(c3nc(c(C(NCc4ccccc4)=O)s3)C)CC2	454
+C1(=O)c2ccccc2C(=O)N1CC=3N(C(=O)c4ccc(cc4C=3OCCCC)Br)CC5CC5	3749
+C1CC1CN2C(=O)c3c(C(CO)=C2)cc(-c4c(ccc(C(NC5CC5)=O)c4)C)cc3	6413
+C1CC1CN2C(=C(c3cc(Br)ccc3C2=O)OCCCC)C(O)=O	108
+C1CC1CN2c3ccccc3-c4ccccc4C(NC(=O)C(C)(F)C(O)=O)C2=O	3
+C1CC1CN2C(=O)c3c(C(OCCCC)=C2CCl)cc(cc3)Br	3750
+C1CC1CN2c3c(cc(cc3)N)CC2=O	0
+C1CC1CN2c3nn(Cc4c[nH]c5ccc(cc45)C)c(-c6cc(cn6C)C(=O)O)c3C(=O)N(C)C2=O	3751
+C1CC1CN2C(=CC(=O)NC2=O)NN	2592
+CC(C)N1CCCN(CC1)CC=2c3cc(-c4c(ccc(C(NC5CC5)=O)c4)C)ccc3C(N(CC6CC6)C=2)=O	85
+C1CC1CN2C=C(C(OC)=O)c3c(C2=O)ccc(c3)-c4cc(C(NC5CC5)=O)ccc4C	99
+C1CC1CN2C=C(c3cc(Br)ccc3C2=O)C=O	3752
+c1ccccc1COc2c3c4c(cc2)CC5N(CCC46C(C(O)CCC56O)O3)CC7CC7	22
+C1CC1CN2C(=O)c3ccc(cc3C(C(O)=O)=C2)-c4cc(C(NC5CC5)=O)ccc4C	127
+c1cc(ccc1N2CCN(CC2)C)Nc3nc4c(C(=O)N(C=C4Br)CC5CC5)cn3	1334
+C1CC1NC(=O)c2ccc(c(-c3ccc4c(C(=CN(C4=O)CC5CC5)C=O)c3)c2)C	99
+C1CC1NC(c2cc(F)c(c(-c3cc4c(cc3)C(=O)N(C=C4C=O)CC5CC5)c2)C)=O	99
+C1CC1CN2CC(CC2)COS(=O)(=O)C	710
+C1CC1CN2C3Cc4c5C6(CC2)C3(CCC(O)C6Oc5c(cc4)O)O	100
+n1cc(cnc1C(=O)N2CCN(CC2)CC3CC3)B(O)O	6414
+CC1(C)CC(CC(C)(C)C1)(O)c2c(N3CCN(CC3)CC4CC4)cccc2	251
+C1CC1CN2C(=O)N(CC2)c3sc(c(n3)C)C(O)=O	6
+c1cc(ccc1-c2nc(N3CCOCC3C)c4c(CN(C4)CC5CC5)n2)NC(NCCC)=O	261
+CC(C)(C)OC(NCC(CNc1cc2c(cc1)N(CC3CC3)C(=O)C2)O)=O	843
+C1CC1CN2C(C(c3c(cccc3)-c4ccccc24)NC(C(C(=O)OCC)(F)C)=O)=O	6415
+FC(F)(F)C(F)(F)CCNC(C(C)(F)C(NC1C(N(c2c(-c3c1cccc3)cccc2)CC4CC4)=O)=O)=O	3543
+C1CC1CN2c3nn(c(-c4n(C)cc(c4)C(NC)=O)c3C(=O)N(C)C2=O)Cc5c[nH]c6ccc(cc56)C	56
+c1cc(ccc1-c2nc(NCC3CC3)sc2)Br	354
+c1cc(ccc1NC(NCC2CC2)=O)C(O)=O	6
+c1cc(ccc1[N+]([O-])=O)Oc2ccnc(C(=O)NCC3CC3)c2	242
+C1CC1CN(CC)Cc2nnc3CN=C(c4c(ccc(c4)F)-n23)c5ccccc5F	894
+C1CC1CN(CC2CC2)c3c(C#N)cc4nc(C)n(C)c4n3	43
+C1CC1CN(CCC)C(c2n(C)nc3c(cccc23)-c4ccc(cc4Cl)Cl)=O	3753
+C1CC1CN(CCC)c2nc(nc(C(=O)OC)c2)Cl	54
+C1CC1CN(c2ccnc(Cl)n2)S(=O)(=O)C	6416
+CC(C)(C)c1c(N2CCN(CC2)C(CCC(NS(=O)(=O)NCC3CC3)=O)=O)cccc1	344
+CC(C)S(=O)(=O)c1ccc(NCC2CC2)c(c1)N	0
+C1CC1CNc2nc(nc3n(cnc23)C)NC(CO)CC	96
+C1CC1CNc2c(cnc(N)n2)I	1154
+C1CC1CN(C)c2cncc(Cl)n2	6417
+CC(C)(C)c1cc(c(S(C)=O)cc1)NC(=O)c2cc(-n3nnc(-c4cnc(NCC5CC5)cc4)c3)c(cc2)C	67
+C1CC1CNc2ncc(cc2)-c3nnn(c3)-c4c(C)ccc(C(=O)O)c4	3754
+C1CCC(C1)NS(=O)(=O)c2cc(cc3c2ccc(OCC4CC4)n3)-c5c(noc5C)C	1155
+FC1(F)CN(C1)c2ccc(nc2OCC3CC3)C(=O)OC	91
+FC1(F)CN(C1)c2c(OCC3CC3)nc(cn2)C(=O)O	1335
+C1CC1COc2nccc(c2)OC3CN(C3)c4ccc(cc4)C(NC(C)=O)C	430
+FC(F)(F)COCc1cc(COCC2CC2)nc(Cl)n1	2404
+C1(=O)CCC(=O)N1OC(OCC2CC2)=O	6418
+C1CC1COc2cc(Br)cc(Br)c2	20
+C1CC1COc2c(cc(cn2)C(O)=O)Br	91
+C1CC1COc2c(Cl)cc(Br)cn2	91
+C1CC1COc2c(C#N)cc(cc2)Br	57
+C1CC1COc2c([N+](=O)[O-])ccc(F)c2	57
+c1cc(ccc1-c2c(OCC3CC3)ncc(C(=O)O)c2)Cl	91
+C1CC1COC(=O)Oc2ccc(cc2)[N+]([O-])=O	405
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2n3ncc(cc3nc2)-c4cnn(C5(CN(C5)C(=O)OCC6CC6)CC#N)c4	1011
+C1CC1CONC(=O)C2=CN(C(=O)C=C2Nc3ccc(Br)cc3F)C	3527
+C1CC1CONC(c2c(Nc3c(C)cc(Br)cc3)c(c4ncn(CCCC(CO)O)c4c2)F)=O	3755
+C1CN(CCN1C)CCCCn2cnc3c(c(c(C(NOCC4CC4)=O)cc23)Nc5c(C)cc(cc5)Br)F	61
+C1CC1CONC(c2c(Nc3c(C)cc(Br)cc3)c(c4c(n(cn4)CCCC=O)c2)F)=O	1156
+c1cc(ccc1)S(=O)(=O)C(=Cc2cc(-c3ncn(C)c3-c4ccc(cc4OCC5CC5)F)ncc2)C#N	2593
+C1CC1COc2cc(ccc2-c3n(C)cnc3-c4nccc(CO)c4)F	49
+C1CCN(C1)c2ccc(C(=O)O)nc2OCC3CC3	244
+C(C)C(CC)(NC(=O)c1ccc(Br)c(OCC2CC2)n1)C(=O)OCC	1008
+C1CC1c2ccc(nc2OCC3CC3)C(O)=O	940
+CC1(C)OB(OC1(C)C)c2cc(c(OCC3CC3)cc2)C#N	17
+C1CC1COc2ccc(S(=O)(=O)CC)cc2C3=CN(C(C(=C3)OC(F)F)=O)C	6419
+FC(F)(F)COC=1C(=O)N(C=C(c2c(OCC3CC3)ccc(S(=O)(=O)CC)c2)C=1)C	6420
+C1CC1COc2c(cc(C(=O)OC)cn2)Cl	6421
+C1CC1COc2c(nc(cc2)C(NC3(COC3)CC(N)=O)=O)Cl	81
+C1CC1COc2c(OC)ccc(-c3cccc4C(CCc34)=O)c2O	241
+C1CC1COc2c(cccc2I)OCOC	3756
+C1CC1COc2cc(C3(CCCC3)C(OCC)=O)ccc2N	0
+C1CC1COc2cc(ccc2[N+](=O)[O-])CC(OCC)=O	976
+C1CC1COc2c(Cl)cc(cn2)C(=O)O	1
+CC1(C)C(C)(C)OB(O1)c2cc(C(C)=O)ccc2OCC3CC3	17
+C1CC1COc2ncc(cc2Br)C(NC3C(O)CCCC3)=O	56
+C1CC1COc2cc(ccc2C=O)C(O)=O	1
+C[Si](C)(C)CCOCn1c(c(C(=O)OCC)c2c1c(ncn2)-c3c(OCC4CC4)cc(cc3)F)C	6422
+C1CC1COc2c(I)cccc2O	241
+C1CC1COc2cc(cc(Br)c2)Sc3cc(c(cc3)OCC(=O)OCC)C	1336
+C1CC1COc2cc(ncc2)CS(c3nc4c(cc(F)cc4)[nH]3)=O	172
+C1CC1COc2cc(Sc3ccc(OCC(=O)O)c(C)c3)cc(C#CCN4CCOCC4)c2	3
+CC1(C)OB(OC1(C)C)c2c(cc(c(OC)c2)F)OCC3CC3	585
+C1CC1COc2cc(Sc3ccc(OCC(=O)OCC)c(C)c3)cc(C#CCN4CCOCC4)c2	197
+C1CC1COc2c(-c3c(-c4nccc(C=O)c4)ncn3C)ccc(c2)F	39
+C1CC1COc2c(C=NOC)ccc(c2)C(O)=O	135
+C1CC1COc2cc(ccc2[N+](=O)[O-])CC(OCC)=O	27
+C1CC1COc2cc(ccc2[N+](=O)[O-])CC(O)=O	3
+C1CC1COc2cc3c(nc(c(CO)c3)NCCNC(C)=O)cc2	269
+C1CC1COc2c(C#N)cc(-c3ccnc(Nc4cn[nH]c4)c3)cc2	6423
+c1cc(ccc1S(=O)(=O)Cl)OCC2CC2	895
+C[Si](C)(C)C#Cc1ccc(cn1)OCC2CC2	961
+CC(C)(C)OC(=O)NC(C)COc1ccc(cc1)C#Cc2ncc(cc2)OCC3CC3	129
+C1CC(CCC1OCC(C)O)c2cc3ccc(OCC4CC4)cc3o2	100
+C1CC(CCC1c2cc3ccc(OCC4CC4)cc3o2)OCC(C)N=[N+]=[N-]	298
+C1CC1COc2ccc3cccc(N)c3c2	106
+C1CC1COc2ccccc2NS(=O)(=O)C	80
+O=S(=O)(C)Nc1c(OCC2CC2)cc(cc1)[N+]([O-])=O	31
+C1CC1COc2ccccc2N	0
+C1CC1COc2cc(CSc3nc4c(cc(F)cc4)[nH]3)ncc2	602
+C1CC1COc2ccc(cn2)OC3C(N(c4cc(F)c5CCC(O)c5c4F)CC3)=O	654
+c1cc(ccc1-c2c(ncc(C(=O)NC3CCCCC3O)c2)OCC4CC4)C#N	89
+C1CC1Cc2c(-c3nc(ncc3)S(C)=O)cnc(N)n2	172
+C1CC1Cc2c(OCCCOc3c(CCC)c4c(cc3)CCC(CCC(=O)OCC)O4)ccc(C(=O)NC)c2OC	297
+C1CC1Cc2c(O)c(ccc2O)C(=O)NC	513
+C1CC1Cn2c3c(nc2Cc4ccc(cn4)OCC)cc(C#N)cc3	788
+CC(C)(C)OC(=O)NC1C(CCN(C1)C(c2cc(c3c(c2)nc(-c4cc5cccnc5n4CC6CC6)n3C)OC)=O)O	30
+C1CC1Cn2c(cc3cccnc23)-c4nc5c(c(cc(C(=O)O)c5)OC)n4C	1
+C1CCN(C1)C(c2ccc3c(nc(n3CC4CC4)Cc5ccc(cn5)OCC)c2)=O	30
+C1CC1Cn2c3c(c(Nc4cc(C(O)=O)ccc4)n2)CN(CC3)C(=O)C	1
+CC(C)(C)OC(NC1CN(C(=O)c2cc(c3c(c2)nc(-c4cc5cccnc5n4CC6CC6)n3C)OC)CCC1)=O	2594
+CC(C)(C)OC(NC1CN(CCC1)C(=O)c2ccc3c(c2)nc(-c4cc5c(nccc5)n4CC6CC6)n3C)=O	2594
+C1CC1Cn2c(cc3cccnc23)-c4nc5cc(C(OC)=O)cc(c5n4C)OC	2594
+C1CC1Cn2c(nc3cc(ccc23)C(O)=O)Cc4ccc(cn4)OCC	872
+C1CC1Cn2nc(OC3C(O)C(O)C(C(O3)COC(OCC)=O)O)c(Cc4ccc(cc4)OC(C)C)c2C	405
+C1CCC(C1)Nc2cc(Cl)cc3c(c(-c4ccc(cc4)OC)nn23)-c5ccnc(NC6CC6)n5	306
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(s4)-c5cn(CCN6CCCC6)nn5)ncc3	1337
+C1CC1NC2CCN(CC2)c3ncc(C)nc3	87
+C1CC1NC2CCN(CC2)c3ncc(nc3)CC	87
+C1CN(CCC1NC2CC2)c3onc(n3)C(C)C	87
+C1CN(CCN1C)c2c(c(NC3CC3)c([N+]([O-])=O)c(c2F)Cl)C	60
+C1CN(CCN1C)c2c(cc(c(c2CC)NC3CC3)[N+]([O-])=O)F	60
+C1CC1NC(=O)c2cnc(N3CCN(CC3)Cc4cc5NC(=O)C6CCCN6c5nc4)cc2	56
+C1CN(CCO1)c2c3ncc(cc3nc(Cl)n2)-c4ccc(cc4)C(NC5CC5)=O	14
+CC(C)(C)NS(=O)(=O)c1cc(S(=O)(=O)NC2CC2)ccc1	71
+CC(C)(C)OC(CNC1CC1)=O	1459
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(Oc4ccc(cc4F)NC(NC5CC5)=O)c3s2)cc1)CCOC	675
+CC(C)(C)OC(=O)N1C(CCCC1)CCOc2c3c(cc(c(NC(NC4CC4)=O)c3)Cl)nc(O)c2-c5cc(C)cc(C)c5	675
+CC(C)(C)OC(=O)N1CCC(CC1)CCOc2c(cc3c(c2)nccc3Oc4ccc(c(Cl)c4)NC(NC5CC5)=O)C#N	1337
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cc3c(c(Oc4ccc(c(F)c4)NC(NC5CC5)=O)ccn3)cc2C#N	238
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)C(C)C(NC3CC3)=O	9
+CC(C)(C)OC(=O)CC(CCCC1CCCCC1)c2onc(n2)CNC3CC3	6424
+CC(C)(C)OC(N(C)C1c2c(C(c3ccc(c(Cl)c3)Cl)CC1)ccc(C(=O)NC4CC4)c2)=O	14
+CC(C)(C)OC(N1CC(F)(C(Cc2ccccc2)C1)CNC3CC3)=O	110
+CC(C)(C)OC(N1Cc2c(CC1)nc(nc2)NC3CC3)=O	435
+CC(C)(C)OC(=O)NC1CCN(c2ccc(C(OCC)=O)c(NC3CC3)c2F)C1	60
+CC(C)(C)[Si](C)(C)OCc1cc(c2c(cccn2)c1)CNC3CC3	249
+CC(C)(C)c1nc(NC2CC2)c3cc(I)ccc3n1	40
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)NC3CC3)ccc2C	2595
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(=O)NC3CC3	14
+CCN(CC)CC(O)COc1cc2nccc(Oc3ccc(c(Cl)c3)NC(NC4CC4)=O)c2cc1C#N	1337
+C1CC1NC=C(C(c2c(cc(F)c(c2C)F)F)=O)C(OCC)=O	2018
+C1CC1NC=C(C(=O)c2c(cc(c(c2)F)C=3CCN(CC=3)C(C)=O)F)C(=O)OCC	2018
+C1CC1NCC(=O)OCC	1459
+C1CC1NC=C(C(OCC)=O)C(c2c(c(c(F)c(F)c2)C#N)F)=O	6425
+C[Si](C)(C)CCOC(=O)c1cccc(S(=O)(=O)NC2CC2)c1	71
+C1CC1NC(c2ncc(OCc3c(C)onc3-c4ccccn4)cc2)=O	81
+C1CC1NC(c2nnc(OCc3c(noc3C)-c4cccc(F)c4)cc2)=O	780
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ccc(CN6CCOCC6=O)cn5)s4)ncc3	675
+ClC(Cl)=C1C2CCC1c3c2cccc3CNC4CC4	42
+C1CC1NCc2c(Cl)cc(cc2)Cl	42
+C1CC1Nc2c(cc(cc2)Cl)[N+](=O)[O-]	205
+Clc1nc(nc(Cl)n1)NC2CC2	387
+C1CC1NCc2nc(Cl)ncc2	1279
+FC(F)(F)C1(O[Si](CC)(CC)CC)CC2CCCc3c(cc4c(n(nc4)-c5ccc(cc5)F)c3)C2(CC1)C(NC6CC6)=O	9
+FC(F)Oc1c(c(c(c(c1F)F)[N+](=O)[O-])C(=O)C(=CNC2CC2)C(=O)OCC)F	2018
+C1CC1NC(c2ccc(Cn3c(c(c(n3)C)-c4cc(c(C#N)cc4)Cl)C)cn2)=O	81
+C1CC1NC(=O)C=2C(=O)c3c(N(c4cccc(Br)c4)N=2)nccc3	6426
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5cn(cn5)CC(OCC)OCC)s4)ncc3	1337
+C1CC1NC(c2ccccc2N)=O	1338
+C1CC1NCc2cc(C=CCOC)c(c(Br)c2)C	42
+C1CC1NCc2c(Cl)ccc(c2)CCNC(C)=O	42
+O=S(=O)(NC1CC1)c2c(Cl)ccc(c2Cl)[N+](=O)[O-]	71
+O=S(=O)(c1cc(ccc1F)[N+]([O-])=O)NC2CC2	71
+C1CC1NS(=O)(=O)c2c(OC)ccc(Oc3c(cc(cc3Cl)CC4C(=O)NC(=O)S4)Cl)c2	71
+O=S(=O)(c1ccc(cc1)C)n2c3c(c(nc(n3)Cl)NC4CC4)c(c2)I	974
+C1CC1NC(c2cc([N+]([O-])=O)c([N+]([O-])=O)cc2Cl)=O	14
+C1CC1Nc2cc(c(cc2[N+](=O)[O-])F)F	60
+C1CC1N2c3c(cc(cc3F)[N+]([O-])=O)CC2=O	1611
+C1CC1Nc2c([N+](=O)[O-])cccc2	60
+C1CC1Nc2cc(nc3ccnn23)Cl	1005
+C1CC1Nc2c(F)c(N3CCN(CC3)C)c(c(F)c2[N+]([O-])=O)F	60
+C1CC1Nc2c([N+](=O)[O-])ccc(c2Br)F	60
+C1CC1NC(=O)c2cccc3sc(cc23)-c4nc(ncc4Br)Cl	14
+C1CC1NCc2ccc(cc2OC(CC=C)C)C	42
+c1(cccc(F)c1N2C(=O)C=Cc3c(nc(NCCCN(CC)CC)nc23)-c4cccc(C(=O)NC5CC5)c4C)F	14
+C1CC1Nc2c(cnc3n(ncc23)CC)C(OCC)=O	1594
+c1c(F)c(c(cc1)F)N2c3nc(NCCCN(CC)CC)nc(-c4cc(ccc4)C(=O)NC5CC5)c3C=CC2=O	14
+C1CC1NC(=O)Nc2ccc(I)cc2F	2595
+C1CC1Nc2cc(C#N)ccc2[N+]([O-])=O	60
+C1CC1NC(=O)c2c(ccc(Br)c2)Cl	14
+C1CC1NCCN2C(=O)C3(N(C2=O)C(c4cc(ccc4)O)c5[nH]c6ccc(OC)cc6c5C3)C	132
+C1CC1NC(c2cnn3ccc(nc23)N4C(c5cc(cc(OCCOC)c5)F)CCC4)=O	1339
+c1cc(ccc1)CC(NC(c2cccnc2-c3nc(sc3)-c4ccccc4)=O)C(O)C(NC5CC5)=O	9
+C1CC1NC(Nc2ccc(cc2)Oc3ccnc(NC(CCC)=O)c3)=O	238
+C1CC1NC(=O)Nc2cccc(c2)C(=O)c3c4c(ncnc4N)n(C5CCCC5)c3	238
+c1cc(ccc1)Oc2ccc(CNC(c3ccc(nc3N)NC4CC4)=O)s2	70
+c1cc(ccc1C(NC2CC2)=O)-c3oc(nn3)-c4c(noc4C)-c5ccccc5	6427
+c1cc(ccc1Br)CC(=O)NC2CC2	9
+c1cc(ccc1C(NC2CC2)=O)-c3nc(N)sc3	14
+c1cc(ccc1C(OCC)=O)-c2cc(-c3ccc4C(C)(C)CCC(C)(C)c4c3)c(cc2)OCCCNC5CC5	1918
+c1cc(ccc1CNC2CC2)C#C	42
+C1CC1Nc2c3cc(ccc3ncn2)-c4ccc(cc4)F	40
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4ccnc(n4)NC5CC5)C	435
+c1cc(ccc1C(c2ccc(cc2)F)CCNC3CC3)F	110
+c1cc(ccc1)CC(C(C(NC2CC2)=O)O)NC(c3c(-n4cc5ccccc5n4)nccc3)=O	9
+c1cc(ccc1)OC(NC2CC2)=O	101
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(CCN6C(CCC6)=O)cc5)s4)ncc3	1337
+C1CC1NC(Nc2c(Cl)cc(cc2)Oc3ccnc4cc(OCCOC)c(C(=O)OC)cc34)=O	238
+c1ccccc1S(=O)(=O)c2n[nH]c3c2cc(cc3)OCCNC4CC4	463
+C1CC1Nc2ncc(cc2)C#N	340
+C1CC1N2CCn3nc(cc3C2)[N+](=O)[O-]	6428
+C1CC1NC(=O)c2ccc(C)c(-c3cc4cnnc(C#N)c4cc3)c2	513
+C1CC1Nc2ncccc2C(Nc3c(nccc3C)OC)=O	70
+C1CC1N(C)Cc2c(ccc(C#Cc3ccc(cc3)CC(=O)OC)c2)C(=O)OC(C)C	129
+C1CC1N(C)Cc2c(ccc(C#Cc3ccc(cc3)CC(=O)O)c2)C(=O)OC(C)C	4
+C1CC1N(Cc2cccc(c2Cl)Cl)C(CC(N)CO)=O	102
+CC(C)(C)OC(=O)N(C(CO)CC(=O)N(C1CC1)Cc2cccc(c2Cl)Cl)CCC(=O)OC	23
+C1CC1N(Cc2cccc(c2Cl)Cl)C(CC(CO)NCCC(=O)OC)=O	1340
+C1CC1N(C(=O)C)Cc2nc(ncc2)NC(C)c3cc4cc(ccc4nc3O)Cl	96
+C1CC1N(c2cc(ccc2)NC(c3cc(C(C)(C)C#N)ccc3)=O)c4nc5c(nc(s5)NC(C)=O)cn4	67
+C1CC1N(c2cccc(C#N)c2Cl)C(c3cc(N4C(=O)Nc5c(c(C(=O)OC)sc5)C4=O)c(s3)Cl)=O	160
+C1CC1N(c2cccc(C#N)c2Cl)C(c3cc(c(s3)Cl)N4C(Nc5c(c(sc5)C(=O)O)C4=O)=O)=O	1
+C1CC1N(c2cccc(C#N)c2Cl)C(c3cc(N4C(=O)Nc5c(c(sc5)C(=O)N)C4=O)c(s3)Cl)=O	6429
+C1CC1Nc2c3ncc(n3nc(Nc4cc(C#N)cc(C(CCO)C)c4Cl)n2)C#N	6430
+O=S(=O)(c1ccc(cc1)C)OC=2C=3C(N(C4CC4)C(=O)N(c5cccc([N+](=O)[O-])c5)C=3N(C)C(C=2)=O)=O	6431
+C1CC1N2C(=O)COC3(CCN(CC3)C(CC(N)=O)c4ccc(cc4)-c5ccc6cccnc6c5)C2	83
+C1CC1N2C(=O)COC3(CCN(CC3)C(CC(O)=O)c4ccc(cc4)-c5ccc6cccnc6c5)C2	4
+C1CC1N2C(=O)N(Cc3ccc(c(Br)c3)C(F)(F)P(O)(O)=O)C(c4ccc(cc4)S(=O)(=O)C)=C2	228
+C1CC1N2C(N(N)C(=O)c3c2cc(F)c(F)c3)=O	6432
+C1CC1N2C(C(Nc3c(-c4nnn(C)n4)c(ncn3)N)C)=Cc5c(c(Cl)ccc5)C2=O	2596
+CC(C)(C)OC(NC1CN(c2c(F)cc3c(N(C4CC4)C(=O)N(N)C3=O)c2)CC1)=O	34
+CC(C)(C)OC(=O)NC(C1CN(c2c(C)c3c(C(N(N)C(=O)N3C4CC4)=O)cc2F)CC1)c5occn5	37
+CC(C)(C)OC(NCc1cc2nc(n(CCC(C)C)c2cc1)CN3c4ccccc4C(=O)N(C5CC5)C3=O)=O	2597
+CC(C)CCn1c2ccc(C(=O)OC)cc2nc1CN3c4ccccc4C(=O)N(C5CC5)C3=O	2597
+C1CC1N2C(C(Nc3c(-c4nc(on4)C)c(ncn3)N)CC)=Nc5cccc(Cl)c5C2=O	40
+C1CC1N2C(c3c(Cl)cccc3N=C2C(C)Nc4c(-c5noc(n5)C)c(ncn4)N)=O	40
+C1CC1N2C=C(C(c3cc(c(N4CCNC(C4)c5ccco5)cc23)F)=O)C(=O)O	202
+C1CC1N2C=C(C(c3c2cc(c(F)c3)N4CC(CCC4)(O)CNCC)=O)C(=O)O	34
+C1CC1N2c3c(c(N4CCNC(C4)C)c(F)c(N)c3C(C(C(O)=O)=C2)=O)OC(F)F	34
+C1CC1N2c3c(c(c(F)cc3C(C(C(O)=O)=C2)=O)N4CCCC(NC(C)=O)C4)OC	57
+CC(C)(C)OC(=O)N1CCN(c2c(c3N(C=C(C(c3cc2F)=O)C(O)=O)C4CC4)OC)CC1C	23
+C1CC1N2C=C(C(c3cc(F)c(N4CC(c5ccco5)N(C)CC4)cc23)=O)C(=O)O	113
+C1CC1N2c3c(C#N)c(c(cc3C(C(=C2)C(=O)OCC)=O)F)N4CC5NCCCC5C4	34
+C1CC1N2CCC(CC2C)Nc3nc(-c4cc(ccc4Cl)OCC5OC5)nc(-c6c(C)noc6C)c3C	2598
+CN(C)CC(O)COc1cc(-c2nc(c(c(-c3c(C)noc3C)n2)C)NC4CCN(C5CC5)C(C4)C)c(Cl)cc1	170
+C1CC1N2CCN(c3ccccc23)C(c4cnccc4Oc5c(cc(OCC(=O)OCC)c(c5)Cl)Cl)=O	52
+C1CC1N2CCN(C(c3cnccc3Oc4c(cc(O)c(c4)Cl)Cl)=O)c5ccccc25	2599
+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4c(cnc(CN5CCN(CC5)C6CC6)c4)nc3)C)cccc1	2019
+FC(F)Oc1cc(ccc1[N+]([O-])=O)N2CCN(CC2)C3CC3	34
+C1CN(CCN1c2nnc(cc2)-c3cc(ccc3)[N+]([O-])=O)C4CC4	212
+C1CN(CCN1c2nc3c(ccc(C#N)c3)o2)C4CC4	2600
+C1CC1N2CCc3cc(ccc3CC2)N	0
+C1CC1N2CCc3c(CC2)ccc(Nc4nc(c(cn4)F)NC5CCCN(C(C=C)=O)C5)c3	55
+C1CC1N2CCn3c(C2)cc(NC4=CC(=CN(C4=O)C)Br)n3	523
+C1CC1N2CCn3nc(cc3C2)N	161
+C1CC1N2c3cc(c(F)c(C)c3C(=O)C(C(=O)O)=C2)F	108
+CC(C)(C)OC(NCC(CNc1cc2c(c(F)c1)N(C(=O)C2)C3CC3)O)=O	843
+C1CC1N2C=C(C(c3c2c(c(F)c(F)c3C=C)F)=O)C(=O)O	108
+C1CC1N2C=C(C(c3c2c(c(c(F)c3N)F)OC(F)F)=O)C(O)=O	108
+C1CC1N2C(N(N)C(c3cc(c(N4CC(CC4)C(N)c5occn5)c(C)c23)F)=O)=O	34
+C1CC1N2c3c(cc(c(c3Cl)F)F)C(=O)C(C(=O)NCc4c(Cl)cc(cc4)Cl)=C2	3757
+C1CC2(CCN1c3c(F)cc4c(N(C5CC5)C=C(C(=O)NCc6c(Cl)cc(cc6)Cl)C4=O)c3Cl)CNC(C2)=O	34
+C1CC1N2c3c(CC2=O)cc(N)cc3F	0
+C1CC1N2CCN(C(c3cnccc3Oc4c(cc(c(Cl)c4)Br)Cl)=O)c5ccccc25	3758
+C1CC1N2c3cc(c(c(C)c3C(C(C(=O)O)=C2)=O)F)N4CC(NCC4)C	34
+CC(C)(C)OC(=O)N(C)C(Cc1ccccc1)CNC(=S)NC2CC2	1832
+C1CC1Nc2[nH]c3c(c(Br)c(Cl)c(Cl)c3)n2	3759
+C1CC1N2C(NC(=O)c3c2c(C)c(I)c(F)c3)=O	6433
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(s4)-c5cn(CC=O)cn5)ncc3	598
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ccc(cn5)CN(C(C)COC)C(=O)C)s4)ncc3	319
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(cc5)CN6CCN(CC6)C(CNC)=O)s4)ncc3	402
+C1CN(CCN1Cc2ccc(-c3sc4c(nccc4Oc5ccc(cc5F)NC(=O)NC6CC6)c3)nc2)CCF	123
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(CNC(COC)C)cc5)s4)ncc3	249
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncn(c5)CCN6CCN(CC6)C)s4)ncc3	61
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(s4)-c5ccc(C=O)cn5)ncc3	6434
+C1CC1NC(=O)c2c(cc(c(c2)N)N)Cl	0
+ClC(Cl)(Cl)c1[nH]c2cc(Cl)c(cc2n1)C(=O)NC3CC3	6435
+C1CC1NCc2c(ccc(c2)Br)Cl	162
+C1CN(CCN1C)CCOc2cc(ccc2)C(c3cnn(c3N)-c4cc(ccc4C)C(=O)NC5CC5)=O	28
+c1cc(ccc1OCCOc2cc(C(c3cnn(-c4c(ccc(C(NC5CC5)=O)c4)C)c3N)=O)ccc2)Cl	8
+O=S(=O)(c1nc2c(cn1)C=C(c3cc(C(=O)NC4CC4)ccc3C)C(=O)N2C)C	528
+CC(C)(C)C(NC(c1ccc(-c2cc(cc(c2C)F)C(NC3CC3)=O)nc1)=O)C	140
+CC(C)(C)OC(=O)n1ncc2cc(ccc12)-c3cc(C(NC4CC4)=O)cc(F)c3C	11
+C1CC1NC(=O)c2cc(c(c(c2)N3C=CNC(=NC(C)(C)c4c(SCCOCc5ccccc5)cccc4)C3=O)C)F	6436
+C1CC1NC(=O)c2cc(c(cc2)C)N3C=Cc4ccc(cc4C3=O)O	5
+CC(C)(N=C1NC=CN(c2c(C)c(cc(C(=O)NC3CC3)c2)F)C1=O)c4c(SCCO)cccc4	118
+C1CC1NC(=O)c2cc(c(cc2)C)N3C=Cc4ccc(cc4C3=O)OCCN5CCCOCC5	53
+C1CC1NC(c2ccc(c(N3C(c4cc(ccc4N=C3)OCC5NCCC5)=O)c2)C)=O	6437
+CC1(C)C(=O)N(C)c2c(N(C1)C3CC(F)(F)CC3)nc(nc2)Nc4ccc(cc4OC)C(NC5CC5)=O	55
+C1CC1CN2C(c3c(C(CN4CCCNCC4)=C2)cc(-c5c(ccc(C(NC6CC6)=O)c5)C)cc3)=O	2601
+CC(C)(C)OC(=O)N1CCC(CC1)(CCNc2ncc(Br)c(-c3cc4c(cccc4C(NC5CC5)=O)s3)n2)C	96
+C1CC1NC(=O)c2n[nH]c3CCN(Cc23)c4c5cc(c(cc5nnc4)CC)OC	3760
+C1CC1NC(=O)c2nnn(c2CCCOS(=O)(=O)C)-c3ccc(cc3)C(=O)NCC	7
+c1cc(ccc1-n2nnc(c2CCCN3C(c4c(cccc4)C3=O)=O)C(=O)NC5CC5)C(=O)NCC	896
+C1CC1NC(c2sc3nc(c(c(C)c3c2N)Cl)OCC)=O	3761
+C1CC1NC(=O)c2nc3cccnc3n2-c4cc(F)c(cc4)Cl	6438
+CC(C)(c1n(C2CC2)c(nn1)C3CC3)c4sccc4	3762
+C1CC(CCC1CN(c2ncc(cn2)Br)C)C(=O)N(CCN(C)C)C3CC3	6439
+C1CC1NC(C=2C(c3cccnc3N(c4cc(C#Cc5ccc[n+]([O-])c5)ccc4)N=2)=O)=O	103
+C1CC1NC(c2c(c3c(s2)nc(c(Cl)c3C)OC)N)=O	3763
+C1CC1Nc2nc(O)c(C#N)c(n2)-c3cccnc3	6440
+C1CC1NC(Nc2c(Cl)cc(Oc3ccnc4cc(c(C(O)=O)cc34)OCCOC)cc2)=O	1
+C1CC1NC(=O)c2sc3c(c(c(Cl)c(n3)O)C)c2N	104
+CC(C)(C)CNC(Cn1ncc2cc(ccc12)-c3cc(C(NC4CC4)=O)cc(F)c3C)=O	248
+c1cc(ccc1CNC(=O)Cn2c3c(cn2)cc(-c4c(c(cc(C(NC5CC5)=O)c4)F)C)cc3)C(NC)=O	248
+C1CN(CCN1CCO)CC=2c3c(C(=O)N(CC4CC4)C=2)ccc(-c5cc(C(NC6CC6)=O)cc(F)c5C)c3	2601
+CC(C)(C)OC(=O)N1C(C)CN(CC1)CC2=CN(CC3CC3)C(c4c2cc(cc4)-c5cc(C(NC6CC6)=O)cc(F)c5C)=O	2601
+CC(C)(C)[Si](C)(C)OCC(C)(C)CN1C(c2c(C(C=O)=C1)cc(-c3c(c(F)cc(C(NC4CC4)=O)c3)C)cc2)=O	19
+C1CC1NC(c2cc(N3C(C(NC=C3)=NC4(CC4)c5ccccc5OCC(O)CNCC)=O)c(C)cc2)=O	122
+C1CC1NC(c2cc(N3C(C(NC=C3)=NC4(CC4)c5c(OCC6OC6)cccc5)=O)c(C)cc2)=O	6441
+C1CC1NC(=O)c2c(Cl)cc([N+]([O-])=O)c(c2)N	0
+C1CC1NC(c2ccc(c(N3C=Nc4c(cc(OC)cc4)C3=O)c2)C)=O	6442
+CN(C)CCOc1ccc2N=CN(C(c2c1)=O)c3c(ccc(C(=O)NC4CC4)c3)C	72
+C1CC1NC(c2ccc(c(N3C(c4c(ccc(OCCN5CCCOCC5)c4)N=C3)=O)c2)C)=O	53
+C1CC1NC(c2ccc(c(N3C(c4cc(ccc4N=C3)OCC5N(C)CCC5)=O)c2)C)=O	113
+C1CC1NC(c2ccc(C)c(N3C(=O)c4cc(O)ccc4N=C3)c2)=O	5
+C1CN(CCN1c2ccc(cn2)Nc3ncc4scc(-c5cccc(C(NC6CC6)=O)c5)c4n3)CC	2602
+C1CC1NCc2c(cccc2)N	162
+c1cc(ccc1-c2ocnc2)C(N(C3CCN(CC3)C(=O)OC4(CC4)C)C5CC5)=O	30
+C1CC1N(C2CCN(CC2)c3ncc(cn3)Cl)C(=O)c4ccc(cc4)-n5ncnc5C	30
+C1CC1N2C=C(C(c3cc(c(c(C#N)c23)F)F)=O)C(=O)OCC	2020
+C1CC1N2c3c(C(=O)C(=C2)C(OCC)=O)c(C)c(c(F)c3)F	2020
+CC(C)(C)OC(N(CC(OCC)=O)C1CC1)=O	663
+c1(C)cc(cc(C)c1S(=O)(=O)N(CCO)C2CC2)OC	92
+C1CC1N(Cc2c(Cl)cc(Cl)cc2)CC(=O)c3ccccc3	676
+CC(C)(C)OC(=O)N(C1CC1)Cc2cc(Br)ccc2Cl	23
+C1CC1N2Cc3c(cccc3)NC2=O	3764
+CC(C)(C)OC(N(C1CC1)Cc2cc(C=CCOC)c(c(c2)Br)C)=O	23
+C1CC1N(Cc2nc(ncc2)Cl)C(=O)C	58
+c1(cc(cc(Cl)c1Oc2cc(S(=O)(=O)NC3CC3)c(cc2)O)CC4C(=O)NC(=O)S4)Cl	5
+C1CC1NS(=O)(=O)c2c(C)n(cc2)CC3CCCCC3	2603
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(S(=O)(=O)NC3CC3)c(C)n2CC4CCCCC4	1072
+C1CC1NS(=O)(=O)c2c(n(CC3CCCCC3)c(C(O)=O)c2)C	6
+CC(C)(C)OC(=O)NC(C)C(=O)Nc1ccc(F)c(Br)c1NC2CC2	33
+C1CC1Nc2c(N)ccc(F)c2Br	0
+C1CC1Nc2ccccc2N	0
+C1CC1n2c(nc3cc(F)c(cc23)F)-c4cc(C(C)(C)O)cnc4	6443
+C1CC1Nc2c(cc(F)c(F)c2)NC(=O)c3cc(cnc3)C(C)(C)O	246
+O=S(=O)(N(c1c(cc(Cl)cc1)[N+]([O-])=O)C2CC2)c3ccc(cc3)C	416
+C1CC1Nc2c3c(n(CC)nc3)ncc2C=O	3765
+C1CC1Nc2c3cnn(CC)c3ncc2C(O)=O	6
+C1CC1Nc2c3c(ncc2C=NO)n(CC)nc3	506
+CC(C)(C)OC(=O)n1c2c(c(n1)C)ccc(Nc3nc4c(occ4)c(n3)NC5CC5)c2	744
+C1CC1Nc2c(cnc3n(CC)ncc23)C(=O)N(C)OC	1012
+FC(F)(F)c1cc(ccc1-n2cnc(c2)C)C(Nc3ccc(C)c(c3)NC(c4csc5c4ncnc5NC6CC6)=O)=O	67
+CC(C)(C)OC(Nc1ccc(C)c(NC(c2csc3c(ncnc23)NC4CC4)=O)c1)=O	6444
+C1CC1n2c3c(nc2-c4cccnc4)ccc(c3)C#N	3766
+C1CC1Nc2cc(C#N)ccc2N	0
+CC(C)(C)OC(N1CCN(CC1)c2cc(NC3CC3)n4ncc(c4n2)C=O)=O	790
+CC(C)(C)OC(N(C1CC1)c2n3c(c(C=O)cn3)nc(Cl)c2)=O	1157
+C1CC1Nc2cc(SC)nc3n2ncc3C=O	3767
+C1CC1Nc2cc(N=[N+]=[N-])nc3c(cnn23)C=O	6445
+C1CC1Nc2n3c(c(C=O)cn3)nc(c2)N	1341
+C1CC1Nc2cc(nc3c(cnn23)C=C4NC(=O)NC4=O)SC	2021
+C1CC1Nc2c(cc(c(F)c2)F)N	0
+C1CC1Nc2n3c(c(C=C4NC(=O)NC4=O)cn3)nc(NC(=O)OC)c2	2021
+C1CC1Nc2cc(Cl)nc3n2ncc3C=O	2022
+C1CC1N(CC)c2ncc(cc2)C(=O)OCC	3505
+C1CC1Nc2n3ncc(C=C4SC(=O)NC4=O)c3nc(-c5ccnc(F)c5)c2	3768
+C1CC1Nc2nc(c(c(-c3cccc([N+]([O-])=O)c3)n2)C#N)SCC(N)=O	3769
+C1CC1Nc2nc(c(c(-c3cnccc3)n2)C#N)Cl	64
+C1CC1Nc2nc3c(c(-c4cccc(c4)[N+]([O-])=O)n2)c(c(C(N)=O)s3)N	3770
+C1CC1Nc2nc(Cl)c(C#N)c(-c3cc(ccc3)[N+]([O-])=O)n2	64
+C1CC1Nc2nc3c(c(c(s3)C(N)=O)N)c(-c4cnccc4)n2	3771
+C1CC1Nc2nc(cc(-c3cncc(-c4cc(ccc4)CN5CCN(CC5)C)c3)c2)-c6nc(C)ccc6	89
+Nc1nc(nc(N)n1)NC2CC2	1342
+C1CC1Nc2ncc3CN(c4cc(-c5nccs5)c(Cl)cn4)CCc3n2	43
+C1CC1Nc2nc3sc(c(N)c3c(-c4cc(ccc4)N)n2)C(N)=O	0
+FC(F)(F)c1ccc(cc1)NC(=O)Nc2cc(ccc2)-c3nc(nc4c3c(N)c(C(N)=O)s4)NC5CC5	124
+O=S(=O)(c1cc2n(cc1)ncc2)N(C3CC3)c4ccc(C#N)cn4	2023
+C1CN(CCN1C)Cc2cc3[nH]c(-c4ccc(c(C#Cc5ccc(NC6CC6)nn5)c4)C)nc3cc2	129
+FC(F)(F)c1c(-n2cnc(c2)C)ccc(NC(c3cc(c(C)cc3)C#Cc4ccc(NC5CC5)nn4)=O)c1	129
+C1CC1OC2CC(CO)N(C(c3cc(c4c(c3)nc(NCc5nccc(Cl)c5)o4)OC)=O)C2	30
+C1CC1OC2CC(CO)NC2	62
+CC(C)(C)OC(Cc1cc(Cl)c(cc1)OC2CC2)=O	2024
+CC1(C)C(C)(C)OB(O1)c2ccc(c(OC3CC3)c2)OC(F)F	17
+c1cc(ccc1SC2CC2)[N+]([O-])=O	411
+CC(C)(C)OC(=O)N1CCC(CC1)(c2cc(nc(Cl)n2)N3CCOCC3C)S(=O)(=O)C4CC4	23
+c1cc(ccc1)CN2CCC(CC2)(c3cc(nc(Cl)n3)N4CCOCC4C)S(=O)(=O)C5CC5	3772
+CC(C)(C)OC(N1CCOCC1CNS(=O)(=O)C2CC2)=O	111
+CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCN(CC3)S(=O)(=O)C4CC4)cn2)c5ccccc15	112
+CC(C)(C)OC(NCC1CCN(CC1)CCNS(=O)(=O)C2CC2)=O	111
+CC1(C)OB(OC1(C)C)c2cnn(S(=O)(=O)C3CC3)c2	2604
+C[Si](C)(C)CCOCn1c2ncc3ncc(n3c2cc1)C4CC(CC4C)NS(=O)(=O)C5CC5	111
+O=S(=O)(Nc1c(ccc(c1)C(=O)OC)F)C2CC2	80
+O=S(=O)(Nc1c(cc(cc1Oc2c(c(ccc2)NS(=O)(=O)CC)C)F)Nc3ccc(I)cc3F)C4CC4	80
+C1CC1S(=O)(=O)NC(C(Oc2cc3cnn(c3cc2)-c4cnccc4)c5cnc(OC)cc5)C	111
+O=S(=O)(C1CC1)Nc2cc(C)nc3c2c(c(Br)s3)-c4cc(OC)ccc4	80
+C1CC1S(=O)(=O)N2CC=C(CC2)c3cncc4cc(oc34)C=O	990
+O=S(=O)(C1CC1)NC2=CN(C(=O)C=C2Nc3c(F)cc(I)cc3)C	6446
+O=S(=O)(C1CC1)NCc2ccc(c(C(=O)Nc3ccc(OC)c(c3)C(Nc4ccc(cc4)Br)=O)c2)Cl	111
+O=S(=O)(N1CC(Nc2sc3cc(ccc3n2)Oc4cc(ncc4)-c5cnn(C)c5)CCC1)C6CC6	112
+C1CC1S(=O)(=O)N2CC=C(CC2)c3c4c(cc(C=C5C(=O)NC(=O)S5)o4)cnc3	2025
+CC(C)(C)OC(NC(C(C)CC(CCC=C)C)C(N1C(CC(O)C1)C(=O)NC2(C(C2)C=C)C(=O)NS(=O)(=O)C3CC3)=O)=O	207
+C1CC1S(=O)(=O)NC(C2(CC2C=C)NC(=O)C3C(C(N(CCCCC=C)C)=O)CC(Oc4ccnc(Cl)n4)C3)=O	145
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)C(=O)N(C)OC	164
+C1COCCC1CC(c2ccc(cc2)S(=O)(=O)C3CC3)C(CCC(c4ncc(C5OC(C)(C)OC5)s4)=O)=O	2605
+C1COCCC1CC(c2ccc(cc2)S(=O)(=O)C3CC3)C(=O)CCC(=O)c4ncc(C(C)(O)C(OC)OC)s4	2605
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)C(=O)C=C	1152
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)c4ccc([nH]4)-c5ncc(C(O)CO)s5	265
+C1CC1S(=O)(=O)Cc2cc(nc(n2)Cl)N3CCOCC3C	6447
+C1CC1Sc2c(Br)cc(C(C(=O)OCC)=CC3CCOCC3)cc2	6448
+C1CC1Sc2c(Br)cc(cc2)C(=O)C(=O)OCC	3773
+CC(C)(C)OC(=O)CCCCc1c(-c2ccc(cc2)F)nc3c(cc(C(C4CC4)=O)cc3)n1	3774
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cc2Cl)C(=O)C3CC3)=O	6449
+C1CC1C(=O)c2cccc(C)c2	3774
+c1cc(ccc1C(C2CC2)(O)C)Cl	6450
+C1CC1c2[nH]c(cn2)I	6451
+C1CC1c2n(-c3ccc(cc3)F)cc(n2)I	3775
+C1CC1c2ncn(C=3C=C4N(C(=O)CN=3)CCc5c(cccc45)-c6oncc6)c2	6452
+c1cc(ccc1C(C)Nc2c(cc([N+](=O)[O-])c(Nc3[nH]nc(C4CC4)c3)c2F)F)F	60
+C1CC1c2cc(n[nH]2)Nc3nc(NC(C)c4ncc(cn4)F)ncc3[N+](=O)[O-]	96
+C1CC1c2[nH]nc(Nc3nc(Cl)ncc3CO)c2	897
+CC(C)(C)[Si](C)(C)OCc1c(nc(Cl)nc1)Nc2n[nH]c(C3CC3)c2	19
+FC(F)Oc1c(c(nc2c(F)ccc(c12)OCC(=O)OC)CC)Cc3ccc(cc3)-n4nccc4C5CC5	1158
+CN(C)CCOc1cc(C2CC2)c(cc1)-c3cccc(N)n3	72
+C1CC1c2cc(OC)c(F)cc2-c3ncc4c([nH]nc4)c3	804
+C1CC1c2c(cncc2F)-c3cc4CCc5nnc(C)n5-c4c(F)c3	89
+C1CC1c2c(C#N)cc(Nc3nc(c(Cl)cn3)Cl)cc2	64
+C1CC1c2c(CO)c(F)ccc2	98
+C1CC1c2cc(C3=C(C4(CCN(CC4)OC)NC3=O)O)c(C)cc2C	997
+C1CC1c2c(C)n3c(ccc(c3)N4C=CC(OCc5ccc(F)cc5F)=CC4=O)n2	3776
+FC(F)(F)Oc1ccc(cc1CNC(Nc2n(-c3ccccc3)nc(C(=O)NC)c2C)=O)COC	3777
+FC(F)(F)Oc1c(CNC(=O)Nc2c(C)c(Oc3ccccc3)nn2-c4ccccc4)cc(COC)cc1	3777
+C1CC1c2cccc(c2CCl)F	229
+C1CC1c2c(COc3c(C)cc(cc3)-c4nn(c(C(=O)O)c4C)C)c(N5C(=O)N(N=N5)C)ccc2	6
+C1CC1c2c(COc3c(cc(-c4nn(C)c(c4C)C#N)cc3)C)c(N5C(=O)N(N=N5)C)ccc2	331
+C1CC1c2c(COc3c(C)cc(cc3)-c4c(c(C(=O)N)n(n4)C)C)c(N5C(=O)N(N=N5)C)ccc2	1612
+C1CC1c2cnc(C(=O)O)cc2Cl	6453
+C[Si](C)(C)CCOCN1C(=O)C(C)=C(c2c(cc(Oc3c(cccn3)C4CC4)cc2)C)N(C)C1=O	136
+C1CC1c2c(F)c(O)c(cc2Br)C=O	2606
+C1CC1c2c(c(c(O)c(C=O)c2)F)C3CC3	365
+C1CC1c2c(F)c(O)c(C=O)cc2	5
+C1CC1c2cc(C)c(cc2C#N)C(OC)=O	1013
+C1CC1c2ccncc2N3C(=O)N(c4ccnc(Cl)c4)CC3	6454
+C1CC1c2c(N3C(N(CC3)c4c(F)cc5ccsc5c4)=O)cncc2	6455
+C1CC1c2cnc(cc2Nc3c(cccc3)C(NOC)=O)Nc4cc(nn4CC)C	346
+C1CC1c2c(Nc3c(cccc3)C(NOC)=O)cc(nc2)Nc4n(C)nc(C)c4	346
+CC(C)(C)OC(c1cc(c(Oc2cc(c(C3CC3)nc2)OC(F)(F)C)cc1F)Cl)=O	551
+C1CN(CCC1(C)C)C(c2nc(c(C3CC3)cc2)OCC4OCCC4)=O	147
+c1cc(ccc1NC(=O)Nc2c(OCCC)c(C3CC3)cc(c2)Br)C4CC4	124
+C1CC1c2cc3c(cc2[N+](=O)[O-])nn(-c4ccc(cc4)Cl)c3C(=O)NC	81
+C1CC1c2cc3c(nn(c3C(=O)NC)-c4ccc(cc4)Br)cc2[N+](=O)[O-]	81
+c1cc(ccc1N2CCN(CC2)C)Nc3ncc4C=C(C(=O)N(Cc5c(F)cccc5C6CC6)c4n3)Br	2607
+C1CC1c2c(c(F)ccc2)CN3C(=O)C(=Cc4cnc(nc34)S(=O)C)Br	172
+C1CC1c2c(cc(c(OC(C)C)c2F)C=O)C3CC3	313
+CC1(C)OC(C)(C)C2(OC2c3cc(-c4c(cc(cc4)Cl)Cl)ccc3C5CC5)C1=O	3778
+C1CC1c2c(cc(-c3c(Cl)cc(cc3)Cl)cc2)C=C4C(C(C)(C)OC4(C)C)=O	6456
+C1CC1c2c(CN)cc(COC)cc2	107
+C1CC1c2cc(c(C)cc2C)CC(O)=O	4
+C1CC1c2c(cc(c(F)c2)[N+]([O-])=O)-n3c(nnn3)C(C)C	3779
+FC(F)(F)S(=O)(=O)Oc1c(cc(c(c1)C2CC2)Cc3ccc(cc3)-n4cccn4)C(=O)OC	376
+CC1(C)OB(OC1(C)C)c2cc(c(O)cc2C3CC3)C(OC)=O	17
+C1CC1c2c(cc(COC)cc2)C#N	76
+C1CC1c2cnc(C#N)cc2OCC3CC3	942
+C1CC1c2cc3c(C(NC)=O)n(nc3cc2NS(=O)(=O)C)-c4ccc(C)cn4	80
+c1cc(ccc1-n2nc3cc(c(cc3c2C(=O)NC)C4CC4)N(S(=O)(=O)C)CCCO)O	2608
+C1CC1c2cc3c(cc2N(S(=O)(=O)C)CCCO)nn(-c4ccc(cc4)Nc5ccccc5F)c3C(=O)NC	230
+c1cc(ccc1)COC=2C=CN(c3ccc4n(c(C)c(C5CC5)n4)c3)C(=O)C=2	6457
+C1CC1c2cc(c(Cl)nc2Cl)C(N)=O	745
+C1CN(CCN1C(=O)c2c(cc(cc2)Br)S(=O)(=O)C)c3ncc(cc3C4CC4)C5CC5	30
+c1cc(ccc1Nc2sc3c(cccc3)n2)Oc4ncccc4C5CC5	1605
+CC1(C)CC2(CC2)Oc3c(cc(C#Cc4cc(F)c(cc4)C(=O)OC)cc13)C5CC5	129
+C1CC1c2ccc(c3c(C(OC)=O)cn(Cc4ccc(-c5cnn(c5)C)cc4F)c23)F	962
+C1CC1c2c3ccccc3c(cc2)[N+](=O)[O-]	2026
+C1CC1c2c3c(n(n2)-c4ccc(cc4Cl)N)-c5sc(NC(C)=O)nc5CC3	0
+C1CC1c2c3c(n(n2)-c4c(cc(cc4)NC)Cl)-c5sc(NC(C)=O)nc5CC3	1159
+C1CC1c2ccc(c3ccccc23)N	0
+C1CC1c2cc(Br)c3nc(NC(OCC)=O)nn3c2	977
+C1CC1c2cc(c3nc(N)nn3c2)Br	982
+c1ccccc1-c2ccc(cc2)-c3c4c(cc(Nc5ncc(cc5C(=O)OC)C6CC6)c3)ccn4C	201
+c1cc(ccc1F)-c2c(C3CC3)cc(C=O)c(c2)OCC	39
+C1CC1c2cc(Cl)ccc2CCNC(=O)c3ccc(cc3)Oc4cc5c(cc4Cl)C(C(=O)O)CCO5	3
+CC1(C)C(C)(C)OB(O1)c2ccc(c(c2)C)C(Nc3cc(ccn3)C4CC4)=O	3780
+C1CC1c2cc(c3c(OCCN(c4cccc(Br)c4COC(=O)C)C3=O)c2)F	204
+C1CC1c2cc(Nc3c(F)cc(C#N)c(n3)Cl)n[nH]2	346
+C1CC1c2cc(Nc3nc(Cl)ncc3Cl)[nH]n2	349
+C1CC1c2[nH]nc(Nc3c(cnc(Cl)n3)[N+]([O-])=O)c2	349
+C1CC1c2n[nH]c(c2)Nc3c(F)c(I)c(c(Cl)n3)C#N	346
+C1CC1c2[nH]nc(Nc3c(F)c(F)c(F)cc3[N+](=O)[O-])c2	6458
+C1CC1c2cc(n[nH]2)Nc3c4c(nc(SC)n3)CN(CC4)C(=O)OCc5ccccc5	349
+c1cc(ccc1F)C(Nc2c(C#N)cc(c(n2)Nc3[nH]nc(c3)C4CC4)F)C	70
+C1CC1c2cc(n[nH]2)Nc3cc(NC(c4ccc(cc4)F)C)ncc3[N+](=O)[O-]	70
+C1CC1c2cc([nH]n2)Nc3c(Cl)cnc(NC(c4ccc(F)cn4)C)n3	96
+C1CC1c2cc([nH]n2)Nc3c(Cl)cnc(NC(C)c4ncc(cc4F)F)n3	96
+FC(F)(F)c1ccc(cc1)-c2csc(CCCOc3cc(c(OCC(OC)=O)cc3C4CC4)C)n2	126
+C1CC1c2c(Cl)nc(OCCCC(C)=O)c(c2)C#N	1014
+C1CC1c2ccc(N)c(F)c2	0
+C1CC1c2c(O)c(c(c(c2)[N+](=O)[O-])C)C=C	443
+C1CC1c2cc(N)c(N)cc2	2609
+C1CC1c2c(cc(c(F)c2)[N+](=O)[O-])NC(=O)C(C)C	26
+C1CC1c2c(cc(c(c2)C(NS(=O)(=O)C3CC3)=O)F)OCC4CCN(CC4)S(=O)(=O)C	258
+C1CC(CCN1)COc2c(cc(c(F)c2)C(=O)OC)C3CC3	47
+CC1(C)C(C)(C)OB(O1)c2c(COC(=O)C)c(N3C(c4c(OCC3)cc(C5CC5)cc4F)=O)ccc2	17
+C1CC1c2cc(F)c3c(OCCN(c4cccc(Br)c4CO)C3=O)c2	41
+c1cc(ccc1-c2c3nc(nn3cc(C4CC4)c2)N)Cl	1805
+c1cc(ccc1Nc2cc(nc(C3CC3)c2)-c4cc(Cl)ccc4)CC(OCC)=O	179
+C1CC1c2c(OCCC)c(N)cc(c2)Br	0
+c1cc(ccc1C#Cc2cc(c3OC(C)(C)CC(C)(C)c3c2)C4CC4)C(OCC)=O	129
+n1cc(cnc1-n2c3c(cc2)cc([N+]([O-])=O)cc3C4CC4)C	6459
+c1cc(ccc1C(C)Nc2ncc(c(c2)Nc3cc(n[nH]3)C4CC4)N)F	13
+C1CC1c2cc([nH]n2)-n3c4nc(ncc4nc3)NC(C)c5ncc(cn5)F	2610
+C1CC1c2c(cc3c(c2)c(C(=O)NC)n(n3)-c4ccc(cc4)Br)NS(=O)(=O)C	80
+c1cc(ccc1Cl)-n2c(c3c(n2)cc(NS(=O)(=O)C)c(C4CC4)c3)C(=O)NC	80
+CC1(C)C(C)(C)OB(O1)c2c(c(ccc2)N3C(=O)c4c(C=N3)cc(cc4)C5CC5)C	17
+OB(O)c1c2cc(C3CC3)[nH]c2ncc1	3224
+C1CC1c2cc3c(C(=O)NC)n(nc3cc2N)-c4ccc(cc4)Cl	0
+C1CC1c2cc3c(C(=O)NC)n(-c4ccc(cc4)Br)nc3cc2N	0
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(Br)ccc2C3CC3	3781
+CC1(C)C(C)(C)OB(O1)c2c(C)c(cc(F)c2)NC(c3c(cc(C4CC4)cc3)F)=O	3782
+C1CC1c2c(cc(cc2)CO)C#N	41
+C1CC1c2ccc(c(c2)N)F	0
+C1CC1c2ccc(Nc3n4cncc4ccc3C(OC)=O)c(F)c2	3783
+C1CC1c2c(C#N)cc(cc2)Nc3ncc(c(n3)O)Cl	55
+C1CC1c2ccc(Nc3c(ccc4cncn34)C(NOCCO)=O)c(F)c2	1000
+C1CC1c2ccc(c(F)c2)Nc3c(C(O)=O)ccc4cncn34	1
+C1CC1c2c(I)cc(C(=O)OC)c(C)c2	184
+C1CC1c2cc(c(cc2)F)NC(c3cc4c(nc(Nc5c(cccc5Cl)Cl)[nH]4)c6c3OC(C)(C)C6)=O	67
+C1CC1c2c3c(c(F)cc2)c(cn3Cc4c(cc(-c5cnn(c5)C)cc4)F)C(=O)O	1
+C1CC1c2c3c(cccc3)c(N=C=S)cc2	333
+C1CC1c2ccc(cc2)CO	41
+c1cc(ccc1COc2c(OC)cc(I)cc2)C3CC3	657
+CC(C)(C)C(NC(c1ccc(c(OCC2CC2)n1)C3CC3)=O)CC(N)=O	81
+CC(C)(C)OC(=O)N1CCCC(C1)Nc2c(c(OC)nc(N3CCOCC3)n2)-c4sc5c(n4)cc(cc5)C6CC6	3784
+C1CC1c2cc3c(C(N(N=C3)c4c(C)c(ccc4)Br)=O)cc2	6460
+C1CC1c2cccc(-c3nc4c(nc(N5CC(C(O)=O)CCC5)cc4)[nH]3)n2	3
+C1CC1c2cccc(n2)C(N3CCN(C(OCc4ccccc4)=O)C(C)(C)C3)=O	147
+c1cc(ccc1-c2c(C3=NOC(=O)N3)cccc2)CC=4C(=O)N(c5cc(ccc5)C6CC6)C(=NC=4CCCC)C	618
+C1CC(CCC1)Nc2cc(Nc3nc(ccc3)C4CC4)c(C(=O)N)nn2	232
+Fc1cc(cc(F)c1NS(=O)(=O)C)C(NC(=O)c2coc(n2)Oc3cc(C4CC4)ccc3)C	6461
+C1CC1c2c(c(F)ccc2)CN3c4c(C=C(C3=O)Br)cnc(SC)n4	6462
+C1CC1c2nccc(N3CCN(c4cnccc4C5CC5)C3=O)c2	6463
+CC(C)(C)OC(=O)NCC(C)(C)COc1c2c(ccc(n2)-c3nnc4ccc(cn34)C5CC5)ccc1	3785
+C1CC1c2cnc(C(=O)O)cc2OCC3CC3	876
+C1CC1c2c(cc(nc2)C(NO)=N)OCC3CC3	958
+CC(C)(C)c1nc(on1)-c2ncc(C3CC3)c(c2)Cl	6464
+FC(F)(F)C(C)Oc1cc(C(O)=O)ncc1C2CC2	260
+FC(F)(F)COc1cc(C(O)=O)ncc1C2CC2	260
+C1CC1c2cnc(-c3nc(C4CCCC4)no3)cc2OCC5CC5	3786
+CC(C)(C)C(O)CNC(=O)c1ncc(c(c1)OCC2CC2)C3CC3	81
+CC(C)(C)OC(=O)N1C(CC(Oc2ncc(C3CC3)nc2)C1)CN=[N+]=[N-]	1335
+C1CC1c2cnn(c2-c3csc(C(=O)O)c3)C	1
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(=O)c4scc(c4)-c5n(C)ncc5C6CC6	227
+C1CC1c2nc(-c3nc4c(C)c(OC)ccc4c(c3)Cl)sc2	120
+C1CC1c2csc(C(=O)Nc3c(C(C)=O)ccc(OC)c3C)n2	6465
+C1CC1c2csc(-c3nc4c(c(c3)O)ccc(c4C)OC)n2	6466
+c1cc(ccc1F)-n2c(nc(C#Cc3cc(C)ncc3)c2)C4CC4	6467
+C1CC1c2n(nc(-c3nc(Nc4ccncc4)c(OC)cn3)c2C)Cc5ccc(cc5)OC	3787
+c1cc(ccc1)COC2=CC(N(C=C2)c3ccc4c(c3)n(c(C5CC5)n4)C)=O	2027
+c1cnccc1Nc2nc(ncc2OC)-c3c(C)c(C4CC4)n[nH]3	1613
+C1CC1c2n(Cc3ccc(cc3)OC)nc(c2C)-c4ncc(c(N)n4)OC	6468
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+C1CC1c2nc(-c3cc(NC(=O)NCC)ncc3-c4cc5C(C(=CN(c5cc4)C(CO)CC(C)C)C(=O)O)=O)sc2	108
+OB(O)c1cnc(NC(NCC)=O)cc1-c2nc(C3CC3)cs2	2028
+C1CC1c2nc(Cl)c(Cl)c(n2)C(O)=O	64
+C1CC1c2cccc(C(O)=O)n2	6
+C1CCCN1C(C2CCCN(c3ccc4c([nH]c(-c5nc(ccc5)C6CC6)n4)n3)C2)=O	6469
+CC(C)n1c2c(c(C(c3cc(NC(Cc4coc(C5CC5)n4)=O)ncc3)=O)n1)cncc2	142
+C1CC1c2nc(C(=O)OC)c(c(OC)n2)Cl	145
+c1cc(ccc1)CNc2nc(C3CC3)nc(c2Cl)C(OC)=O	40
+C1CC1c2nc(Cl)c(Cl)c(n2)C(=O)OC	1343
+C1CC1c2c(cc(c(N3CCN(C(CCO)=O)C(C4CC4)C3)n2)C#N)N(C)c5ccnc(C=C)c5	6470
+C1CC1c2cccc(Nc3c(C(=O)N)nnc(Cl)c3)n2	314
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+O=S(=O)(Nc1c(c(-c2c(sc(n2)C3CC3)-c4nc(ncc4)SC)cc(Cl)c1)F)C	80
+C1CC1c2cc(cc(-c3cc(Cl)ccc3)n2)Cl	140
+CC(C)(C)OC(NCCn1c2nc(cc(c2cn1)C(OCC)=O)C3CC3)=O	6471
+C1CC1c2nc3ccc(cc3n2C)N4C(C=C(C=C4)Cl)=O	6472
+FC(F)(F)c1cc(COC=2C=CN(C(=O)C=2)c3ccc4c(c3)n(c(C5CC5)n4)C)cs1	6473
+CC(C)(C)OC(=O)c1c(cc(Oc2cnc(c(Cl)c2)C3CC3)c(c1)Cl)Cl	551
+C1CC1c2ncc(cc2Cl)Oc3cc(c(C(=O)NS(=O)(=O)C)cc3Cl)Cl	258
+C1CC1c2sc(nn2)N3C(CCN(C3=O)C)OC(Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)=O	204
+C1CC1c2sc(nn2)NC(=O)N(CCC=O)C	1110
+c1cc(ccc1C(=O)N)-c2c3c(nccn3c(C4c5nnc(C6CC6)n5CCC4)n2)NCc7c(OC)cc(cc7)OC	169
+CC(C)(C)[Si](C)(C)OCCOc1c(-n2nnnc2C3CC3)cc(cc1)[N+](=O)[O-]	57
+C1CC1c2noc(C=Cc3ccc(c(O)c3)OC)n2	5
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+C1CC1c2nc(-c3c(NC(C4=C(C(O)=O)CCCC4)=O)sc5c3CCCC5)sn2	3788
+C1CC1c2nnc(o2)-c3c(ncc(c3)-c4ccc5[nH]ccc5c4)N	89
+C1CC1c2nc(CC(=O)O)co2	3
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+C1CC1n2ccc3c(O)cc(cc23)C(OCC)=O	173
+C1CC1n2c3cc(cc(OC)c3cc2)C(=O)O	6
+C1CC1n2c3c(c(cc(C(OCC)=O)c3)OCC)cc2	6474
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+C1CC1n2ccc3c2cc(cc3OC)C(N4CCC5(CC4)Oc6c(C(C5)=O)cc(cc6)-c7cc(cnc7)C(=O)O)=O	30
+C1CC1n2c3cc(C(=O)OCC)cc(c3cc2)OC	65
+c1cc(ccc1)COC2=CC(N(C=C2)c3cc4c(nn(C5CC5)c4C)cc3)=O	1614
+FC(F)(F)c1cc(sc1)COC=2C=CN(c3cc4c(nn(C5CC5)c4C)cc3)C(=O)C=2	6475
+C1CC1n2cc(cn2)-c3ccc4c(N(c5c6c(cccc6)n[nH]5)CC(N4C(C)=O)C)c3	804
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+C1CC2(CCC1O)CCC(CC2)=O	100
+C1CC(CCC12CCN(CC2)c3ccccc3C=CC(NO)=O)C(=O)N	793
+C1CC2(CCC1)CCC(CC2)Oc3ccc4c(ccc(c4)C5(C)NC(=O)OC5)c3	20
+CC(C)(C)C1CCC(CC1)Oc2ccc3c(c2)ccc(CNC45CCC(CC4)(C(OCC)=O)C(C5)O)c3	42
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+C1CC2(CCC1(CC2)NC(OCc3ccccc3)=O)C(=O)OC	3790
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+C1CC2(CCC1(CC2)O)C(OC)=O	27
+C1CC2(CCC1(CC2)OC)C(O)=O	4
+C1CC2(CCC1(CC2)C)CCN	51
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+C1CC2(CCC1(CC2)COS(=O)(=O)c3ccc(cc3)C)C	36
+C1CC2(CCC1(CC2)C)CC#N	677
+C1CC2(CCC1(CC2)NCC(=O)N3CCCC3C#N)C(=O)OCC	1229
+C1CC2(CCC1(CC2)O)Nc3ncc(c(NC(C)C)n3)C(N)=O	306
+C1CC2(CCC1(CC2)C(=O)O)NC(OCc3ccccc3)=O	4
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+C1CC2(CCC1(CC2)OC)NC(OCc3ccccc3)=O	3791
+C1CC2(CCC1(CC2)COS(=O)(=O)C)c3[nH]c4c(C(=O)N(CCC)C(N4CCC)=O)n3	7
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+C1CC2(CCC1(CC2)c3[nH]c4N(C(N(CCC)C(=O)c4n3)=O)CCC)C(OC)=O	27
+C1CC(CCC1(c2cncs2)O)=O	97
+O1CCOC12CCC(CC2)(c3ccc(cc3)Br)C(=O)O	4
+CC(C)(C)OC(=O)NC(CO)(c1cc2ccc(cc2cc1)OC3CCC4(CCCCC4)CC3)C	37
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+C1CC2(CCC1)N=C(c3ccc(cc3)OC)C(N2CC(Nc4cc(F)cc(F)c4)=O)=O	26
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+C1CC2(CCC1OC)Cc3c(cc(cc3)OCCCF)C2=O	76
+CC(C)(C)S(=O)N=C1c2cc(OCCCF)ccc2CC13CCC(CC3)OC	2552
+C1CC(CCC1c2c[nH]c3cc(F)ccc23)=O	97
+C1CC(CCC1c2cc(F)c(cc2)I)=O	97
+C1CC(CCC1c2cccc(F)c2)=O	97
+C1CC2(CCC1c3cc(F)c(cc3)I)OCCO2	184
+C1CC2(CCC=C1)CCC(C=O)C2	1143
+C1=CCCC2(CC1)CC(CC2)CO	237
+C1CC2(CCN1C(=O)N3CCC3)Cc4cc(cnc4NC2=O)Br	437
+FC(F)(F)C(Oc1cc(N2CCC3(CC2)CC(C(=O)OC)NCC3)nc(N)n1)c4c(-n5ccc(C)n5)cc(Cl)cc4	54
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+CC(C)(C)OC(=O)C=Cc1c(cccc1)N2CCC3(CC2)CCC(CC3)C(=O)OC	79
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+C1CCC(C1)n2c3c(c4cnc(Nc5nnc(cc5)N6CCC7(CC6)OCC(NC7)=O)nc24)ccnc3	212
+C1OCC12CCN(CC2)C(=O)c3ccc(cc3)-c4cn5c(ncc5-c6ccc(cc6)C#N)cn4	30
+c1cc(ccc1)S(=O)(=O)N(CC(c2cc(ccc2)Cl)CCCN3CCC4(CC3)c5ccccc5SC4)C	28
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+c1(C)nc(nc(C)c1)N2CCC3(CC2)CCCC(=O)N3Cc4cccc5n(S(=O)(=O)c6ccc(cc6)C)ccc45	117
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+c1cc(ccc1S(=O)(=O)N2CCC3(CC2)OCC(=O)N(C4CC4)C3)Br	92
+C1CN(CCC12OCC(=O)N(C2)C3CC3)C(C)c4c(cc(cc4)Br)F	2030
+c1cc(ccc1Br)C(C)N2CCC3(CC2)OCC(=O)N(C3)C4CC4	2030
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4c(nn(-c5c(cccc5F)C(OC)=O)c4)C	678
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4cn(-c5c(F)cccc5-c6nccn6C)nc4C	678
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4c(nn(c4)-c5c(cccc5C#N)F)C	678
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4c(C)nn(-c5c(F)cccc5F)c4	678
+C1CC2(CCN1Cc3cn(nc3C(OCC)=O)-c4c(F)cccn4)OCC(F)(F)c5cc(sc25)Cl	678
+c1ccccc1-c2cnc(cn2)NC(N3CCC4(CC3)c5cc(CC)ccc5C(O4)=O)=O	437
+CC(C)(C)OC(N1CCC2(CC1)COc3cc(ccc23)O)=O	23
+C1CC2(CCN1C(=O)c3cc(ccc3)NC(=O)NCCC(O)=O)CNC(=NC(c4nc(c(nc4N)N)Cl)=O)N2	3
+C1CC2(CCN1C(=O)c3cc(OC)c4cccc(OC)c4n3)Oc5c(cc(-c6n(nnn6)C)cc5)C(=O)C2	6480
+CC(C)(C)OC(NNC(=O)c1cc2c(OC3(CCN(CC3)C(=O)c4cc(OC)c5cccc(OC)c5n4)CC2=O)cc1)=O	2031
+C1CC1N2C(=O)COC3(CCN(CC3)C(c4ccc(cc4)-c5ccc6cccnc6c5)CC(=O)OC)C2	803
+C1CC2(CCN1)Cc3cc(F)ccc3C2=O	215
+C1CC2(CCN1C(C(OC)=O)c3ccc(-c4ccc5cccnc5c4)cc3F)CN(C6CC6)C(=O)CO2	803
+C1CN(CCC12CC(c3ccccc3O2)OC)C(c4ccccc4OC)=O	76
+C1CN(CCC12Oc3ccc([N+](=O)[O-])cc3C(=O)C2)C	77
+C1CC2(CCN1C)COc3cc4CCN(C(c5ccc(cc5)-c6ccc(N7CCCC7=O)cc6C(OC)=O)=O)c4cc23	610
+c1ccccc1CCOCCCN2CCC(CC2)=O	97
+C1CC2(CCN1CCCc3ccccc3)CC(c4cc(C=CC(O)=O)ccc4O2)=O	127
+CC(C)(C)OC(=O)CCOCCc1cccc(CCN2CCC3(CC2)CN(C(=O)c4nc(C(C)C)sc4)CCO3)c1	1615
+C1CC2(CCN1Cc3cccc(CCO)c3F)CN(C(=O)c4nc(sc4)CC(C)C)CCO2	837
+C1CN(CCC12CCN(CC2)Cc3ccccc3)C4CCC4	85
+c1cc(ccc1)CN2CCC3(CC2)Cc4cc(ccc4C3)O	5
+C1CC2(CCN1)CNC(=O)CO2	25
+C1CC2(CCN1)c3c(CO2)ccnc3	25
+C1CC2(CCN1Cc3c(nn(-c4ncccc4F)c3)CO)OCC(F)(F)c5cc(sc25)Cl	194
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+c1(ccnc(c1-c2nc3c(c(C)cc(c3)N4CCC5(CN(CC)CC5)C4)[nH]2)Cl)I	3792
+FC(F)(F)c1cc(S(=O)(=O)N2CC3(C(=O)NCC3)CCC2)cc(Br)c1	92
+C1OC2(CCOCC2)OCC1COc3c(C)c([n+]([O-])cc3)C	857
+C1CC2(OCC(CO2)COc3c(C)c(CO)ncc3)CCO1	174
+FC(F)(F)c1ccnc(Nc2cc(cc(C)c2)-c3cnc(C4(CCC5(OCCO5)CC4)C#N)s3)n1	836
+c1cc(ccc1-n2c(-c3ccc(cc3)C)cc(n2)C4(CCC5(OCCO5)CC4)O)Cl	6481
+c1cc(ccc1)COCC2CCC(CC2)=O	97
+CC(C)Nc1cc(ncc1C(NC2CCC3(CC2)OCCO3)=O)Nc4cc5c(ncs5)cc4	56
+C1CC(CCC1N2C(=O)C(=C(CCC)n3ncnc23)Cc4ccc(cc4)-c5c(C6=NOC(=O)N6)cccc5)=O	97
+c1cc(ccc1)CN(C)C2CCC3(CC2)OCCO3	48
+C1CC(CCC1=O)Oc2ccc3OC(CCc3c2)c4ccccc4	97
+C1CC(CCC1c2cc(F)c(F)cc2)=O	97
+C1CC(CCC1=O)c2nc(ccc2F)C(OC)=O	97
+c1ccccc1COc2ccc3c(CCC45C(CN(C(=O)C)C4)CCC35)c2	139
+C1CC2C3(CN(C(=O)C)CC13)CCc4c2ccc(c4)O	5
+C12CC(CC(CC1)C23OCCO3)(C)O	736
+C1CC2CC(CC1N2C(c3c(Cl)cccc3)c4c(Cl)cccc4)(O)c5ncccn5	1109
+CC(C)(C)OC(N1CC2(CCN(CC2)C3CC4CCC(C3)N4C(OCC)=O)c5ccccc5C1)=O	85
+C1CC2CC(CC1N2)C(NCc3c(cccc3)F)=O	215
+C1CC2CC(CC1N2C(OCC)=O)C(=O)NCc3c(cccc3)F	9
+C1C2CCC(CC1N3CCC4(CC3)CN(Cc5ccccc45)c6cccc(OC)c6)N2C(OCC)=O	6482
+C1C2CCC(CC1=NO)N2Cc3ccccc3	350
+C1C2C(CCC(C1)C2)(NC(C)=O)C#N	206
+C1CC2N(CC1c3n4c(c(N)ncc4)c(Br)n3)CCC2	15
+C1CC2CCC(=O)N2CC1c3n4c(c(N)ncc4)c(Br)n3	522
+C1CC2CCC1CN(C2)c3nc(nc(NC(C)(C)CC(C)(C)C)n3)Cl	387
+C1CC2CCC1CN(C2)c3nc(Nc4ccc(cc4)F)nc(NC(C)(C)CC(C)(C)C)n3	360
+C1CC2CCC1CN(C2)c3nc(Cl)nc(n3)Cl	436
+C1CC2CCC1N2C(C(C)(C)c3ccc4[nH]c(-c5cc(C)cc(C)c5)c(C(C)CNC(=O)OC(C)(C)C)c4c3)=O	10
+C1CC2CCC1N2C(C(C)(C)c3ccc4c(c3)c(c(-c5cc(C)cc(C)c5)[nH]4)C(C)CN)=O	12
+O=S(=O)(c1ccc(F)cc1CC2C3CCN(CC3)C2)Cl	243
+CC(C)(C)OC(Nc1ccc(cc1[N+](=O)[O-])-c2nnc(cc2)OC3CN4CCC3CC4)=O	746
+C1CC2CCN1CC2Oc3ccc(nn3)-c4ccc5[nH]ccc5c4	519
+CN(C)Cc1c2cc(ccc2[nH]c1)-c3ccc(OC4CN5CCC4CC5)nn3	1015
+C1CC2CCN1CC2Oc3nnc(cc3)-c4ccc(c(N)c4)N	0
+C1CC2CCN1CCN2c3ncc(c(C(=O)OC)c3)[N+](=O)[O-]	43
+C1CC2CCN1CCN2c3ncc([N+](=O)[O-])c(C(=O)NCC(C)(C)CO)c3	14
+C1CC2CCN1CCN2c3ncc(c(C(=O)O)c3)[N+]([O-])=O	1
+C1CN2CCC1c3[nH]c4c(cccc4c3C2)-c5ccc(C)nc5	6483
+C1CC2CCOC(=O)N2CC1c3n4c(c(N)ncc4)c(Br)n3	522
+c1cc(ccc1)CN2CC3CCC(C2)C3N(C)CCCC(c4ccc(cc4)C#N)Oc5ccc(c(OC)c5)OC	123
+c1cc(ccc1Cl)N2CC3CCC(C2)N3CCCCN4C(=O)Nc5c(cccc5Cl)C4=O	6484
+CC(C)(C)OC(N1CCN(CC1)c2nc(N3CC4CCC(C3)O4)nc(Cl)n2)=O	436
+c1cc(ccc1-c2nc3C(C)(C)OCc3c(N4CC5CCC(C4)O5)n2)Br	54
+C1C2CCC(CN1c3nc(Cl)nc(N4CCC(CC4)=O)n3)O2	436
+CC(C)n1ncc2c(N3CC4CCC(C3)O4)nc(nc12)-c5ccc(cc5)[N+](=O)[O-]	1577
+c1c2c([nH]cc2CC(N3CC4CCC(C)C(O)(c5c(cccc5)OC)C4C3)=O)ccc1	10
+C1CC2COCC(=O)N2CC1c3n4c(c(N)ncc4)c(Br)n3	522
+CC(C)(C)OC(=O)N1Cc2cc(c(Cl)cc2C1)N3C4COCC3CC4	560
+FC(F)(F)c1cc(Br)c2n(c(C(=O)N3C4CCC3COC4)cn2)c1	777
+C12COCC(CC1)N2c3nc(nc(Cl)c3)-c4ccc(cc4)[N+](=O)[O-]	54
+C12CCC(COC1)N2c3nc(nc(CCl)c3)Cl	54
+c1cc(ccc1N2CCN(CC2)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3)C(NCC)=O	1954
+C1CN(CCN1c2ncc(cc2)C(OCC)=O)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3	1954
+C1CN(CCN1c2c(Cl)cc(cc2)C(=O)NC3CC3)Cc4cc5c(N6C(CCCC6)C(=O)N5)nc4	1954
+c1(C(=O)O)cnc2N3C(CCCC3)C(=O)Nc2c1	1
+c1(cc2c(N3C(CCCC3)C(=O)N2)nc1)COC	382
+C1CC2C3(CN(C(=O)C)CC13)CCc4cc(OC)ccc24	319
+C1CC(n2nc(c3c2cccc3)Br)OCC1	2614
+Clc1cnc(NC2CC(C(=O)N)CCC2)nc1SC	96
+C1CCC(C(OC)=O)CC1N	27
+N#Cc1c(NC2C(CCCC2)C)c3cccn3nc1	719
+N#Cc1c(NC2C(CCCC2)C)c3cc(cn3nc1)[N+]([O-])=O	719
+c1(ccc(C(=O)OC)cc1[N+]([O-])=O)NC2C(CCCC2)C	60
+C1CCCCCCCC(CCC1)C(CO)C	1101
+c1cc(C(=O)OC)cc2c1n(C3C(C)CCCC3)c(Cc4cncs4)n2	1264
+c1c(CNc2nc(c(C)c(n2)C)NC3C(O)CCCC3)nccc1	3793
+CC(C)(C)OC(=O)NC1C(CCCC1)O	37
+CC(C)C(NC1CCCCC1O)=O	9
+C(OCC)(=O)NC1CCCCC1O	101
+O(CC)P(OCC)(CC(=O)NC1C(O)CCCC1)=O	9
+FC(F)(F)c1ccc(c(c1)-c2cc(C(NC3CCCCC3O)=O)cnc2OC4CCCC4)Cl	56
+Nc1c2c(CCCN2C)c(cc1C(NC3CCCCC3O)=O)Br	14
+CC(C)S(=O)(=O)NC1CCCCC1O	6485
+C(O)CCCCOc1c(Br)cc(cn1)C(=O)NC2CCCCC2O	56
+c1c(ccc2c1sc(NC3C(O)CCCC3)n2)OC	2564
+c1cc(ccc1Cl)-c2c(OCC3CC3)ncc(C(=O)NC4CCCCC4O)c2	56
+c1cc(ccc1-c2c(ncc(C(=O)NC3CCCCC3O)c2)Cl)Cl	56
+c1c2c(sc(NC3C(O)CCCC3)n2)cc(Cn4cc(nc4)Br)c1	2032
+c1c2c(sc(NC3C(O)CCCC3)n2)cc(Cn4cnc5cccnc45)c1	2032
+C(C1CC(NC(C)=O)CCC1)(OC)=O	206
+c1cc(ccc1)C(c2ccccc2)=NC3CCCC(C3)C(=O)OC	6486
+c1cc(ccc1Cl)S(=O)(=O)NC2CCCC(C)C2	71
+C1CCCC1(CO)CN	6487
+C1CCCC1(C(O)=O)c2scc(c2Cl)C	1588
+C1CCCC1(c2cc(Cl)c(cc2)Cl)C(=O)C	3610
+c1cc(ccc1CC(NC(=S)C2(CCCC2)CCCCS(=O)(=O)C)C(=O)OC)[N+]([O-])=O	199
+C1CCCC1(CO)C#N	95
+C1CCC(C1)(CO)c2cc(ccc2-c3c(cnc(c3)OC)F)C(=O)OC	237
+C1CCCC1(CO)c2c3ccccc3ccc2	237
+CN(C)C(=O)C(Cc1ccc(cc1)-c2ccccc2)NC(=O)C3(CCCC3)CC(=C)Cl	207
+N1=NCC2(C1)CCCC2	6488
+c1cc(ccc1Oc2ccccc2)NC(=O)CNCC3(CCCC3)CN	1229
+C1CCC(C1)(COC)c2cc(ccc2-c3c(cnc(c3)OC)F)C(=O)OC	76
+C1CCC(C1)(c2c(-c3cc(ncc3F)OC)ccc(CO)c2)COC	98
+C1CCC(C1)(N2CCCC2)C(c3ccccc3)N	6489
+C1CCC(C1)(Nc2c(F)cc(c(Cl)n2)C#N)C(=O)N	6490
+C1CCC(C1)(N)CC(OC)=O	167
+C1CCCC1(CC(=O)OC)NCc2ccc(cc2)F	42
+C1CCC(C1)(Nc2nc(Nc3cnc4c(cccc4)c3)c(C#N)cc2F)C(N)=O	1970
+C1CCC(C1)(Nc2c(F)cc(c(Nc3cc4ccccc4nc3)n2)C(N)=O)C(N)=O	745
+C1CCCC1c2ccc(cc2)C3(CC3)C(O)=O	564
+c1cc(ccc1S(C2(CCCC2)CC(=O)NO)=O)Oc3ccccc3	2033
+CC(C)(C)ONC(=O)CC1(CCCC1)Sc2ccc(cc2)Oc3ccccc3	6491
+C1CCC(C1)(C=O)c2cccc3c2cccc3	2013
+C1CCC(C1)(c2ccc(cc2)Nc3c4c(nc(C5CCCC5)n3)CCC4)C(OC)=O	73
+c1cc(ccc1C2(CCCC2)C(=O)O)Nc3c4c(nc(C5CCCC5)n3)CCC4	4
+C1CCCN1C2(CCCC2)C#N	735
+C1CCC(C1)NC(CC)C(=O)OC	3794
+C1CCC(C1)NCCC(=O)OCC	87
+C1CCCC1NCCNc2nc(C)nc3cc4n(c23)cccc4-c5c(C)cc(cc5C)C	87
+FC(F)(C(=O)OCC)CNC1CCCC1	87
+FC(F)(F)c1ccc(C(=O)NC2CCCCC2NC3CCCC3)c(C4CC4)c1	87
+FC(F)(F)c1cccc(C(O)C(c2cc(ncc2)F)NC3CCCC3)c1	87
+N1(C)CCc2ccc(c3c2n(c4CCCc34)CC1)F	6492
+C1CCC(C1)N2CCc3c(CC2)cc(cc3)Oc4ncc(C(NC)=O)cc4	85
+C1CCC(C1)Nc2c(cc3c(ccnc3O)c2)C	231
+C1CCCC1(c2ccc(cc2)Cc3ccccc3OCc4ccccc4)O	251
+C1CN(CCN1C2CCCC2)c3ccc(cc3)I	85
+c1cc(ccc1C2=CCCC2)F	6493
+C1CCCC1Oc2ccc(c(c2)OCCN3CCCCC3)Br	521
+C1CCC(C1)N2CCC3(CC2)COC(c4ccc(cc4)OCCCN5CCCC5C)=N3	6494
+C1CCC(C1)Oc2cc(cnc2OC)C(=O)OC	2034
+C1CCC(C1)Oc2c(Cl)cc(cc2Cl)C(OC)=O	521
+C1CCCC1Oc2c(ccc(C(=O)OC)c2)SC	521
+C1CCC(C1)C(c2cccc(F)c2)C(OC)=O	6495
+C1CCC(C1)Oc2c(OC)ccc(C=O)c2	521
+C1CCCC1n2c3nc(Cl)nc(NCc4cc(OC)c(cc4)OC)c3nc2	2615
+C1CCC(C1)n2c3c(c(Nc4ccc5CCCc5c4)nc(Cl)n3)nc2	2615
+c1cc(ccc1-c2c3c(n(C4CCCC4)n2)c(F)ccc3)OC	6496
+C1CCC(C1)C(c2ccc(cc2)OCc3ccc4ccccc4n3)C#N	3795
+C1CCC(C1)Oc2c3c(c4c(cccc4)o3)ccc2	6497
+c1cc(ccc1Sc2ccccc2)OC3CCCC3	521
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(ncc2Cl)[nH]cc3NC(C4CCCC4)=O)C1	1610
+CC(C)(C)OC(C1(CC1)Cc2cc(NC(C(c3ccc(cc3)CN4C(=O)c5c(cccc5)C4)C6CCCC6)=O)ccc2)=O	33
+C1CCC(C1)C(c2ccc(c(c2)CC(C)C)O)C(OC)=O	2616
+C1CCC(C1)c2n3NC(=NC(=O)c3c(n2)CC)c4cccc([N+](=O)[O-])c4	3796
+C1CCCC1(C(=O)OCC)Cc2ccccc2	1161
+C1CCC(C1)C(c2ccc(cc2)OCc3ccc4ccccc4n3)C(=O)N	3797
+C1CCCC1C(c2cc(F)ccc2)(C(OC)=O)C	2035
+C1C2(CN1c3ccc(cc3)-c4[nH]nc5ccc(C(=O)NC(C6CCCC6)c7ccccn7)cc45)COC2	1016
+C1CCCC1C2(CCN(CC2)c3ccc(cc3)C(=O)OCC)OC	34
+C1CCC(C1)C2CCc3cc(O)c(c(Cl)c3C2=O)Cl	5
+C1CCC(C1)C2C(=O)c3c(CC2)cc(c(Cl)c3Cl)OCc4[nH]nnn4	420
+C1CCC(C1)C2C(c3c(CC2)cc(OCC#N)c(Cl)c3Cl)=O	3798
+C1CCC(C1)C2N(c3nc(c(C#N)cc3)C)N=C(c4cc(c(CC(O)=O)cc4)OC)C2	6498
+C1CCC(C1)CC(C(OC)=O)c2cc(F)c(-n3c(nnn3)C)cc2	6499
+CC(C)Oc1cnc2[nH]c(cc2c1)C(CC3CCCC3)c4ccc(cc4)S(=O)(=O)C	6500
+C1CCCC1C2N(N=C3c4ccc(cc4CCC23)C(=O)OC)c5cc(Cl)c(C#N)cc5	6501
+C1CCC(C1)C=C2C(c3c(CC2)cc(cc3)C(=O)OC)=O	3799
+C1CCC(C1)Cc2n(c3ccc(S(=O)(=O)C(C)C)cc3n2)CC4CC4	849
+FC(F)(F)c1ccc(cc1)CNc2nc(c(c(N)n2)NC(CC3CCCC3)=O)C	1616
+C1CCC(C1)CC(c2c(-c3ccc4cc(ccc4c3)OC)oc5ccccc25)=O	2617
+c1c(C)c(c(cc1[N+](=O)[O-])C)NC(=O)CC2CCCC2	26
+c1ccccc1Nc2nn(-c3cc(ncc3)NC(=O)CC4CCCC4)cn2	195
+FC(F)(F)c1ccc(cc1)CNc2cc(C)c(c(C)c2)NC(CC3CCCC3)=O	208
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cnc3n(ccc23)S(=O)(=O)c4ccccc4)NC(CC5CCCC5)=O)=O	469
+C1CCCC1CC(C(=O)Nc2nn(cc2)CC(C)(C)O)N3C(C=C(C=N3)Oc4c(C)ccc(C)c4C)=O	142
+C1CCCC1CC(c2cc(C#N)c(cc2)S(=O)(=O)C)C(O)=O	4
+C1CCC(C1)CC(C(=O)OC)c2cc(c(S(=O)(=O)C)cc2)C#N	180
+C1CCCC1CC(C(=O)O)c2cc(F)c(-n3c(nnn3)C)cc2	4
+C1CCCC1CC(C(O)=O)c2cc(c(SC)cc2)Cl	4
+C1CCCC1CC(C(=O)O)c2ccc(cc2)-c3cnccc3	4
+C1CCCC1CC(C(=O)NNc2nc(nc(N3CCN(CC3)C)c2F)CC)CN(O)C=O	2618
+C1CCC(C1)CCc2c(oc3c2cccc3)-c4cc5ccc(OC)cc5cc4	6502
+C1CCC(C1)CC(c2c(-c3ccc4c(ccc(OC)c4)c3)oc5ccccc25)O	6503
+C1CCCC1CC(c2cc(Cl)c(Cl)cc2)C(=O)N	6504
+C1CCCC1CC(c2ccc(cc2)C#Cc3ncccc3)C(=O)O	4
+C1CCCCC1(C#Cc2ccc(cc2)C(C(OC)=O)CC3CCCC3)O	121
+c1cc(ccc1C(C(OC)=O)CC2CCCC2)C#CCN(C)C	121
+c1cc(ccc1C(CC2CCCC2)C(OC)=O)-c3ccc4c(c3)cc[nH]4	134
+C1CCC(C1)CC(C(OC)=O)c2ccc(cc2)-c3cnccc3	1617
+c1cnccc1-c2ccc(cc2)C(CC3CCCC3)C(OC)=O	2036
+c1cc(ccc1C(C(=O)O)CC2CCCC2)OCc3ccccc3	4
+C1CCCC1CC(C(=O)O)c2ccc(cc2)[N+]([O-])=O	3
+c1cc(ccc1CNc2ccc(CC)c(NC(CCC3CCCC3)=O)c2CC)F	208
+C1CCC(C1)CCC(Nc2c(CC)c(ccc2CC)N)=O	0
+FC(F)(F)c1ccc(cc1)NC2CCc3cc(c([N+](=O)[O-])cc23)NC(=O)CCC4CCCC4	3800
+CC(C)(C)[Si](C)(C)OCCNC1CCN(C1)c2nc3ccc(c(NC(=O)CCC4CCCC4)c3cc2)Cl	110
+C1CCC(C1)CCCCCCCCOc2ccc(cc2)-c3ncc(CCCCCCC)cc3	8
+C1CCC(C1)CCCN2C3CCc4c(cccc4C3CC2)O	5
+C1CCC(C1)CN2C(C(C(NCc3ccccc3)=O)=CC(c4ccc(cc4)OC)=N2)=O	6505
+C1CN(CCC1Oc2c3cnn(c3ncn2)-c4ccc(cc4)S(=O)(=O)C)C(=O)OCC5CCCC5	1468
+c1cc(ccc1Oc2ncc(C#CC(C)NC(C)=O)s2)OCC3CCCC3	20
+C1CCC(C1)CN2N=C(C=C(C(OCC)=O)C2=O)c3ccc(cc3)OC	6506
+c1cc(ccc1)Oc2nccc3c2cc(c(N(C4CCCC4)C(=O)C)c3)C	136
+C1CN(CCC1)c2cnc(Nc3ncc4C=C(C(N(c4n3)C5CCCC5)=O)COCC)cc2	3608
+C1CCC(C1)N2C3=NC(c4cc(OCC(=O)O)ccc4)=NC(=O)C3=C(N2)CC	3
+CC(C)(C)C(C(=O)N1C2C(c3c4ccc(cc4[nH]c3)F)CN(C2CC1)C5CCCC5)NC(OC(C)(C)C)=O	10
+C1CCC(C1)N2C=3C(C(N=C(N=3)c4c(cccc4)OCC(=O)O)=O)=C(CC)N2	3
+C1CCC(C1)N2CC3(CCC3)C(N(C)c4cnc(nc24)Nc5c(cc(C(=O)O)cc5)F)=O	55
+C1CCC(C1)N2CC3(CCC3)C(N(C)c4cnc(nc24)Nc5ccc(C(NN6CCN(CC6)C)=O)cc5F)=O	898
+C1CCCC1N2N(C)C(=C(C2=O)Cl)C	6507
+FC(F)(F)S(=O)(=O)Oc1nn(c2ccnc(OC)c12)C3CCCC3	3801
+C1CCC(C1)N2C(=O)C(COCC)=Cc3c2nc(nc3)S(=O)C	3802
+C1CCC(C1)N2c3nc(ncc3N(C(=O)C(F)(C)C2)C)Nc4ccc(C(=O)NC5CCN(CC5)C)cc4OC	14
+C1CCCC1NC(Nc2ccc(cc2)-c3nn(CC)cc3-c4c5cc[nH]c5ncc4)=O	406
+C1CCC(C1)N(C)c2nc(ccn2)N3CCC(CC3)c4ccc(cc4)C(C)C(NCC)=O	117
+c1cc(ccc1S(=O)(=O)n2c3ncc(c(CNC(C(NC4CCCC4)=O)CC#N)c3c(C(=O)O)c2)Cl)C	3803
+C1CCCC1N(c2nc(ncc2[N+]([O-])=O)Cl)C(C(OC)=O)CC	2619
+C1CCC(C1)Nc2n3nc(-c4ccncc4)c(-c5nc(ncc5)NC6CCCC6)c3ccc2	2620
+C1CCCC1Nc2nccc(-c3c(-c4cc(Cl)ccc4)nn5cnccc35)n2	3804
+FC(F)(F)c1cn2nc(c(-c3ccnc(NC4CCCC4)n3)c2cc1)-c5ccc(cc5)F	2620
+C1CCC(C1)Nc2nccc(-c3c4ccnc(SC)n4nc3-c5ccc(cc5)F)n2	3805
+C1CCC(C1)Nc2nc(-c3c(-c4cc(ccc4)C)nn5c(cccc35)Cl)ccn2	6508
+C1CCCC1Nc2nc(-c3c4cccc(n4nc3-c5occc5)Cl)ccn2	3804
+C1CCCC1NCC(C(=O)OCC)CCC	1917
+c1cc(ccc1CNC2CCCC2)N3C=C(C(c4cc(c(N5CCN(CC5)c6ccccn6)c(Cl)c34)F)=O)C(O)=O	108
+C1CCCC1n2nccc2-c3ccc(Br)cc3[N+]([O-])=O	2008
+C1CCC(C1)NNC(c2c(ccnc2OC)I)=O	1325
+C1CCC(C1)N2NC(c3c(nccc23)OC)=O	3714
+C1CCC(C1)NS(=O)(=O)c2c3ccc(nc3cc(-c4c(noc4C)C)c2)Cl	6509
+C1CCC(C1)N(c2cc3ccnc(c3cc2C)Cl)C(=O)C	192
+C1CCC(C1)Nc2c(cc3c(ccnc3Cl)c2)C	137
+C1CCC(C1)Nc2cc(cc3c(-c4ccnc(S(=O)C)n4)c(nn23)-c5ccc(cc5)OC)Cl	172
+C1CCC(C1)Nc2cc(ccn2)-c3c4cccc(n4nc3-c5csc(C)n5)Cl	2621
+C1CCCC1Nc2cc(ccn2)-c3c4cccc(NC5CCCC5)n4nc3-c6csc(C)n6	1162
+C1CCC(C1)Nc2cccc3n2nc(-c4ccc(cc4)F)c3-c5cc(F)ncc5	6510
+C1CCC(C1)Nc2n3c(c(c(-c4ccncc4)n3)C(=O)C=CN(C)C)ccc2	277
+C1CCC(C1)Nc2cccc3c(c(-c4ccc(cc4)F)nn23)-c5cc(ncc5)NC6CCCC6	182
+C1CCC(C1)Nc2cccc3c(-c4ccnc(NN)c4)c(nn23)-c5ccc(cc5)F	1606
+C1CCC(C1)Nc2cccc3n2nc(c3-c4ccnc(NC5CCCC5)n4)-c6cccc(C)c6	1162
+Clc1cccc(Cl)c1C(NC(C(=O)OC)Cc2ccc(cc2)OCCc3nc(ccc3)NC4CCCC4)=O	20
+C1CCC(C1)Nc2nc(CCO)ccc2	168
+C1CCC(C1)Nc2nccc3n2nc(-c4cc(Cl)ccc4)c3-c5nc(NC6CCCC6)ncc5	3806
+C1CCC(C1)N2c3c(cnc(SC)n3)C=C(COCC)C2=O	6511
+C1CCCC1Nc2nccc(n2)-c3c4cccc(Cl)n4nc3Cc5ccccc5	2621
+CC(C)(C)Nc1nccc2c(-c3ccnc(NC4CCCC4)n3)c(nn12)-c5ccc(cc5)F	3806
+CC(C)(C)OC(=O)N(CCN1c2c(cc(c(OC3CCCC3)c2)C)N=C4C(N=C(N=C14)O)=O)Cc5ccccc5	556
+CC(C)(C)OC(N1CCC(CC1C(OC2CCCC2)=O)=O)=O	27
+CC(C)(C)[Si](C)(C)OCCC(NC(=O)OC(C)(C)C)C(=O)OC1CCCC1	6512
+C1CCC(C1)OCC(=O)OCC	337
+C1CCC(C1)OC(=O)OC(Cl)C	405
+C1CCC(C1)Oc2c(C(N3CCN(CC3)c4ccc(S(=O)(=O)C)cc4F)=O)c(F)c(cc2)S(=O)(=O)C	57
+C1CCC(C1)Oc2c(C(O)=O)cc(cc2)S(=O)(=O)C	556
+C1CCC(C1)Oc2c(Br)cc(C(=O)OC)cn2	91
+C1CCCC1Oc2c(OC)cc(CC(OC)=O)cc2	419
+c1cc(ccc1C(N2CC(=NOC)CC2C(=O)OC3CCCC3)=O)-c4ccccc4C	27
+C1CCC(C1)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	1117
+C1CCC(C1)OC(=O)OC(I)C	6513
+FC(F)(F)COc1ccnc(c1C)CSc2n(c3ccccc3n2)C(C)OC(=O)OC4CCCC4	6514
+C1CCCC1OCC(O)=O	3
+c1cc(ccc1OCC(CNCCNC(=O)Nc2c(cccc2)O)O)OCCOC3CCCC3	122
+FC(F)(F)c1ccc(c(c1)-c2cc(C(=O)OC)cnc2OC3CCCC3)Cl	89
+FC(F)(F)c1nc(sc1)N2CCN(CC2)C(c3c(ccc(S(=O)(=O)C)c3)OC4CCCC4)=O	30
+c1cc(ccc1C(=O)OC)NC(=O)c2cc(Cl)c(c(c2)Cl)OC3CCCC3	67
+C1CCC(C1)Oc2c(Cl)cc(cc2Cl)C(=O)O	1
+C1CCCC1Oc2cc3c(C(N(C=C3C=O)C(=O)OCC)Cc4cccc(OC)c4)cc2OC	3752
+C1CCC(C1)Oc2cc3c(C=O)cnc(C(=O)c4cccc(OC)c4)c3cc2OC	3807
+C1CCC(C1)Oc2cc(ccc2OC)C=NO	135
+C1CCCC1Oc2c(cc(c(c2)N3C(=O)C4=C(CCCC4)C3=O)F)Cl	2380
+c1cc(ccc1Br)C2(c3ccc(c(OC4CCCC4)c3)OC)C=CC(CC2)=O	3808
+C1CCC(C1)Oc2c(cccc2OC)C=Cc3nc4ccccc4n3-c5ccc(C#N)nn5	331
+C1CCC(C1)Oc2c(cccc2OC)C=Cc3nc4ccccc4n3-c5nnc(cc5)C(=O)O	6
+C1CCC(C1)Oc2c(cccc2OC)C=Cc3n(c4ccccc4n3)-c5ccc(nn5)C(=O)N	247
+C1CCC(C1)Oc2c3c(c(C=O)cc2)c4ccccc4o3	3809
+C1CCC(C1)Oc2cc(ccc2OC)Cc3nc4cccc(c4o3)[N+](=O)[O-]	2037
+C1CCC(C1)Oc2c(cc(F)c(N)c2)Cl	2622
+C1CCC(C1)Oc2cc(ccc2OC)C3=NOC(CC(O)=O)(C(=O)O)C3	4
+C1CCC(C1)Oc2cc(CC(=O)Nc3c(O)c([N+](=O)[O-])ccc3)ccc2OC	33
+C1CCCC1Oc2cc(cnc2OC)C(=O)O	1
+C1CCCC1Oc2c(OC)cc3c(c(cnc3C(c4cc(OC)ccc4)=O)C(O)=O)c2	2038
+C1CCC(C1)Oc2ccc(cn2)C(=O)OCCC(C)=C(F)F	1986
+CC(C)(C)OC(=O)c1c(SC2CCCC2)n(nc1)-c3ccc(cc3)C(=O)OC	6515
+c1ccccc1COc2c(cc(SC3CCCC3)c4cccnc24)Cl	2039
+C1CCC(C1)S(=O)(=O)NC(C(=O)CC(=O)N(Cc2ccc(cc2)F)OC)=O	2623
+C1CCCC1c2c(c(C(=O)N)[nH]n2)NC(CNC(=O)C)=O	3810
+C1CCC(C1)c2cc(ccc2-c3nc(N)ccc3)O	899
+C1CCCC1c2c(c(Cl)ccc2)C(Cl)=O	82
+c1cc(ccc1OCc2c(C3CCCC3)onc2C4CCCC4)-c5ccc6c(ccc(C(OC)=O)n6)c5	20
+C1CCC(C1)c2ccccc2N=C=S	333
+c1ccccc1COc2c(CC=C)cccc2C3CCCC3	139
+c1ccccc1COc2ccc(cc2C3CCCC3)Br	22
+C1CCC(C1)c2cc(CCC(=O)OCC)c([N+]([O-])=O)cc2OC(OC)=O	77
+C1CCC(C1)c2c(O)ccc(c2)-c3c4c(cccc4)c(c5sc(c(c35)C)C)Br	173
+C1CCC(C1)c2c(OC(=O)OC)cc(c(CCC(=O)OCC)c2)N	0
+C1CCCC1c2cc(Cl)c(cc2OC(OC)=O)[N+]([O-])=O	31
+C1CCC(C1)c2ccc(C=O)c(OC)c2	65
+C1CCC(C1)c2c(-c3cccc(n3)-n4c(ccc4C)C)ccc(c2)O	16
+C1CCC(C1)c2c(ccc(OCCN3CCCC3)c2)-c4cccc(N)n4	72
+CN(C)CCOc1ccc(c(C2CCCC2)c1)-c3cccc(N)n3	72
+C1CCC(C1)c2cc(-c3c4c(sc(C)c4C)cc5ccccc35)ccc2OC(C)=O	225
+CC(C)(C)[Si](C)(C)Oc1ccc(C(OC)=O)cc1C2CCCC2	154
+C1CCC(C1)c2cc(C(=O)c3c(sc(C)c3C)Cc4ccc(cc4)Br)ccc2OS(=O)(=O)c5cc(O)c(C(O)=O)cc5	1163
+c1cc(ccc1Cc2sc(C)c(C)c2C(=O)c3ccc(OC)c(c3)C4CCCC4)Br	6516
+FC(F)(F)c1cc(ccc1)C(Nc2ccc(cc2)Nc3nc(C)cc(n3)Nc4cc([nH]n4)C5CCCC5)=O	55
+FC(F)(F)c1cc(ccc1)NC(=O)c2ccc(cc2)Nc3nc(cc(Nc4cc(C5CCCC5)[nH]n4)n3)C	55
+C1CCC(C1)c2cc(Nc3cc(nc(Nc4ccc(cc4)N)n3)C)n[nH]2	55
+C1CCCC1c2ccc(cc2)-c3cc(ncc3)Cl	1164
+c1cc(ccc1C(=CCO)C)C2CCCC2	2624
+c1cc(ccc1C(O)(C)CC(=O)OCC)C2CCCC2	2040
+C1CCC(C1)c2c(N)cccc2	0
+C1CCCN1S(=O)(=O)c2ccccc2Cc3c(n(c(C4CCCC4)c3C#N)CC(O)=O)C	3
+CC(C)(C)C(Nc1cc(ccc1)C=2NC(=O)c3n(c(C4CCCC4)nc3CC)N=2)=O	26
+C1CCC(C1)c2n3N=C(NC(=O)c3c(CC)n2)c4cc(N)ccc4	6517
+C1CCCC1c2n3N=C(NC(=O)c3c(C)n2)c4cc(ccc4OCCC)[N+]([O-])=O	6518
+C1CCCC1c2nc(Cl)c3c(CCC3)n2	64
+CC(C)(C)OC(=O)CCCOc1c(Cl)cc(cc1C)-c2noc(n2)-c3cc(nc(C4CCCC4)c3)OC	529
+C1CCC(C1)c2nc(cc(-c3nc(-c4cc(C)c(c(CC)c4)O)no3)c2)OC	3811
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(c(OCCOS(=O)(=O)C)c(c4)C)CC)c2)OC	7
+c1cc(ccc1OC)CC(Nc2c(noc2C(N)=O)C3CCCC3)=O	6519
+O=S(=O)(NCC)c1cc(C(Nc2sc(C3CCCC3)nn2)=O)c(F)cc1F	900
+CC(C)(C)OC(N1CCN(CC1)c2ccc(Nc3ncc4c(C)c(C(OC)=O)n(c4n3)C5CCCC5)nc2)=O	1618
+CC(C)(C)COC(=O)Nc1c(OC)cc(cc1)-c2c3c(n(C4CCCC4)c2)ncnc3N	90
+c1ccccc1CNC(=O)Nc2ccc(cc2OC)-c3c4c(n(C5CCCC5)c3)ncnc4N	406
+CC(C)(C)NC(Oc1ccc(cc1)-c2c3c(n(C4CCCC4)n2)c(F)ccc3)=O	1890
+c1cc(ccc1-c2c3c(n(C4CCCC4)n2)c(F)ccc3)OC(CC)=O	385
+c1cc(ccc1)OC(=O)Nc2cccc(C(=O)c3c4c(ncnc4N)n(C5CCCC5)c3)c2	90
+CC(C)(C)OC(N1CCN(CC1)c2nnc(Nc3nc4c(cn3)cc(C(N(C)C)=O)n4C5CCCC5)cc2)=O	1618
+c1cc(ccc1NC(=O)c2ccc3c(n(nc3CC)C4CCCC4)c2)C(=O)OC	67
+C1CCC(C1)n2c3c(c4cnc(nc24)Nc5nnc(Cl)cc5)ccnc3	6520
+CC(C)(C)[Si](C)(C)OCC1CCN(CC1)c2cnc(cc2)Nc3nc4n(C5CCCC5)c6c(nccc6c4cn3)F	3812
+CC(C)(C)[Si](C)(C)OCCN1CCN(CC1)c2cnc(cc2)Nc3nc4n(C5CCCC5)c6c(nccc6c4cn3)F	3812
+C1CCC(C1)n2c3c(c(-c4cc(OC)c(cc4)N)c2)c(N)ncn3	869
+C1CCC(C1)n2c3c(c(C(=O)c4cccc(N)c4)c2)c(ncn3)N	0
+C1CCC(C1)n2c3ncnc(N)c3c(c2)C(c4cccc([N+]([O-])=O)c4)=O	869
+C1CN(CCN1C)CCCOc2c(cccc2)Nc3nc(nc4n(cnc34)C5CCCC5)Cl	53
+FC(F)(F)c1ccc(cc1)-c2noc(C(NC3CC(O)CCC3)=O)c2	1619
+c1(ccc(OCOC)cc1OCOC)C2CC(=NO)CCC2	350
+C1(=C)CCCC(c2c(cc(OCOC)cc2)OCOC)C1	6521
+C1CC(CCCCC1)NO	3813
+C1CCCCC(CCCCCC1)C=O	24
+C1CCCCCCCCCCCCCC1C=O	24
+C1CCC(N(C1)c2ccccc2CC=O)=O	24
+C1CCC(Nc2c3cccn3ncc2C(N)=N)C(C1)C	3814
+c1cc(ccc1Oc2c(C3CC(CCC3)O)cccn2)Nc4ccccn4	1605
+C1CCC1(C#N)c2cccc(c2)OCc3ccc(cc3)-n4ccnc4C	139
+C1C(CC1)(C)C(=O)n2ccnc2	3612
+c1ccccc1COc2ccc(cc2)CCNC(=O)C3(CCC3)c4ccc(cc4OC)Cl	9
+c1cc(ccc1Br)C2(CCC2)CO	647
+c1cc(ccc1-c2cc3c(cc2Cl)[nH]cc3C=O)C4(CCC4)C(O)=O	2625
+C1CCC1(Oc2cccc(I)c2)C(=O)OCC	517
+C1CCC1(Sc2c3c(ccc(Br)c3)ncc2)C(OCC)=O	3815
+CC1(C)C(C)(C)OB(O1)c2cnc(OCC3(CCC3)C(OCC)=O)cc2C	234
+c1cc(ccc1C)S(=O)(=O)n2cc(c3cc(cnc23)F)-c4ncc(c(NC(CC(=O)OC)C5(CCC5)C)n4)F	1344
+C1CCC1(c2ccc(Cl)c(Cl)c2)CC(=O)CC	6522
+FC(F)(F)c1cc(ccc1C#N)N2C(=S)N(C3(CCC3)C2=O)c4ccc(cc4)CCCC(=O)N(C)C	6523
+CC1(C)C(C)(C)OB(O1)c2c(cc(cc2F)C3(CCC3)O)F	1327
+c1cc(ccc1)-c2nc(CCOc3cccc(c3)-c4cccc(c4)OC5(CCC5)C(=O)OCC)c(C)o2	267
+c1ccccc1COc2cccc(-c3cccc(OC4(CCC4)C(=O)OCC)c3)c2	134
+C1CCC1(C(O)=O)Sc2c3cc(ccc3ncc2)Br	3
+C1CCC1(Sc2c3c(ncc2)ccc(C#N)c3)C(OCC)=O	1572
+FC(F)(F)c1cc(ccc1)-c2cc3c(ccnc3cc2)SC4(CCC4)C(OCC)=O	11
+C1C(CC1)(C(O)=O)Sc2ccnc3c2cc(C#N)cc3	3
+C1CCC1c2c(c(F)ccc2)OC	564
+C1CCC1(CC(CC)=NO)c2cc(Cl)c(cc2)Cl	350
+C1CCC1(C#N)c2cc(O)ccc2	5
+FC(F)(F)c1nc(ncc1)Nc2cc(-c3sc(C4(CCC4)O)nc3)cc(C#N)c2	836
+C1C2(CC1)CC(Nc3cccc(F)c23)=O	1620
+C1CC(CCN1C2CCC2)CC(=O)OCC	85
+C1CC(CCN1C2CCC2)Oc3c(F)cc(cc3F)C4=NNC(=O)CC4	85
+C1CN(CCC1Oc2ccc(cc2)-n3ncc(C(OCC)=O)c3)C4CCC4	85
+c1cc(ccc1OC2CCN(CC2)C3CCC3)N4C(C)=Nc5ccccc5C4=O	85
+CC(C)(C)OC(N1CCN(CCC1)C2CCC2)=O	85
+CC(C)(C)OC(N1CCC(CC1)CC2CCN(CC2)C3CCC3)=O	85
+C1CCC1(Nc2ccc(cc2)CCCC(=O)N(C)C)C#N	1345
+C1CCC1(c2c(c(ccc2)F)OC)O	251
+C1CCC1(Nc2ccc(cc2)CCCC(NC)=O)C#N	1345
+C1C(CC1)(c2ccc(nc2Cl)C)O	1239
+FC(F)(F)c1cc(OC)c(C(NC2C(CCCC2)NC3CCC3)=O)c(SC)c1	87
+c1cc(ccc1C)NC2(CCC2)C#N	1621
+C1CCC1N2CCN(CCC2)C(=O)c3ccc(nc3)Cl	85
+O=S(=O)(c1ccc(cc1)-n2cc3CCN(CCc3n2)C4CCC4)C	85
+O=S(=O)(c1ccc(cc1)N2C(C=CC(c3cc4CCN(CCc4cc3)C5CCC5)=N2)=O)C	85
+C1C(CC1)N2CCc3ccc([N+]([O-])=O)cc3CC2	85
+C1C(CC1)N2CCc3c(cc(Oc4c(cc(cc4)I)F)cc3)CC2	85
+C1C(CC1)N(CCCc2c3cc(F)ccc3[nH]c2)C4Cc5c(ccc(F)c5OC4)C(N)=O	85
+C1C(CC1)N(CCCc2c[nH]c3c2cc(C#N)cc3)C4COc5cccc(OC)c5C4	85
+C1CCC1(O)c2cc(F)cc(F)c2	251
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4ccc(C(NC)=O)cc4OC	85
+C1CN(CCC1Oc2ccc(cc2)N3CCN(C(OCc4ccccc4)=O)CC3=O)C5CCC5	85
+c1cc(ccc1-n2nc3CCN(CCc3c2)C4CCC4)NS(=O)(=O)C	85
+C1C(CC1)N2CCc3c(cc(OCc4ccccc4)cc3)CC2	85
+C1C(CC1)(c2nccs2)O	3679
+CC(C)(C)OC(=O)Nc1c(C#CC2CCC2)cc(Cl)nc1	1243
+CC(C)c1c(O)c(C(=O)C2CCC2)ccc1	805
+C1C(CC1)c2nc3c(N(CCCCC)C(NC3=O)=S)[nH]2	6524
+C1CN(CCO1)C(=O)N2CCN(CCC2)c3nc(c4cc(c(cc4n3)OC)OCC5CCC5)N	116
+c1ccnc(OC)c1CCOc2c3cc(C(=O)O)[nH]c3ccc2	3816
+OC(=O)c1cc2c(cccc2OCCc3ccccc3OC)[nH]1	3816
+C1CCC1COc2c3c(ccc2)[nH]c(c3)C(O)=O	6
+C1CCC1Cc2csc(n2)C#N	6525
+C1CCC1Cc2nc(C(=N)NO)sc2	6526
+C1CCC1Cc2csc(C(N)=O)n2	6527
+CC(C)(C)NC(c1cc(CN2C(C)(C)CN(C(=O)c3cc(F)c(cc3)NC(NC4CCC4)=O)CC2)ccc1)=O	3817
+FC(F)(F)c1ccc(C(NC2CCC2)=O)c(O)n1	56
+C1CCC1NCCC#N	1287
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(c(S(=O)(=O)NC3CCC3)c2)OC	71
+C1C(CC1)Nc2cccc(F)c2	3436
+C1C(CC1)N2C(Cc3cc(ccc23)[N+]([O-])=O)=O	1611
+c1(cc(cc(Cl)c1Oc2ccc(c(C(=O)NC3CCC3)c2)OC)COC)Cl	14
+C1CCC1NCc2ccc(cc2)N3CCN(CC3)C(C)=O	42
+FC1(F)CN(C2CCC2)c3nc(Cl)ncc3NC1=O	1622
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)S(=O)(=O)N(C3CCC3)c4cccc(F)c4	57
+C1C(CC1)N2CCC3(CCN(CC3)S(=O)(=O)c4ccc(cc4)C(=O)C)CC2	92
+C1C(CC1)N2CCC3(CCN(CC3)c4nnc(cc4)Cl)CC2	212
+C1CCC1N2CCc3sc(nc3CC2)-c4ccc(cc4)N5CCN(C5=O)C	2626
+c1cc(ccc1)C2=C(N)c3cnc(nc3N(C4CCC4)C2=O)SC	3818
+FC1(F)C(N(c2c(nc(nc2)Nc3ccc(cc3)C(O)=O)N(C1)C4CCC4)C)=O	55
+C1C(CC1)NCCCN	51
+C1CCC1N(Cc2ccc(cc2)N3CCN(CC3)C(C)=O)S(=O)(=O)Cc4ccccc4	112
+C1CCC1Oc2nc(N)c3c(n2)n(C4OCCCC4)cn3	6528
+C1CCC1OC(=O)N2CCN(CC2)C(=O)OCc3ccccc3	3630
+COc1cc(cc(OC)c1Br)COC2CCC2	555
+C1C(CC1)OC(N2CCC(CC2)N(C)Cc3ccc(nc3)-c4ccc(cc4)S(=O)(=O)C)=O	1468
+C1C(CC1)OC(=O)N2CCNCC2	62
+CC1(C)OB(OC1(C)C)c2ccc3N(C(C)CCc3c2OC4CCC4)C(C5CC5)=O	17
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3ccc4c(CCC(C)N4C(C5CC5)=O)c3OC6CCC6)cn2	320
+C1CCC1Oc2c(-n3nccc3)ccc4N(C(C5CC5)=O)C(C)CCc24	901
+CC1(C)OB(OC1(C)C)c2c(c3CCC(C)N(c3cc2)C(OC)=O)OC4CCC4	17
+C1CCC1Oc2nc(c3nc(OC)n(C4OCCCC4)c3n2)N	1010
+CC1(C)OB(OC1(C)C)c2ccc(cc2OC)S(=O)(=O)C3CCC3	17
+C1CCC1c2[nH]c3nccc(Cl)c3c2	6529
+c1cc(ccc1C#N)COc2c(ccc(c2F)-c3cc4OCCNc4nc3)C5CCC5	22
+CC(C)OB(OC(C)C)c1ccc(C2CCC2)c(OC)c1F	1327
+OB(O)c1ccc(C2CCC2)c(c1F)OC	1509
+CCOC(OCC)c1cc(Br)cc(C2CCC2)c1OC	6530
+C1C(CC1)c2[nH]c3c(ccc[n+]3[O-])c2	6531
+C1CCC1n2cc(C#N)c3ccc(O)cc23	5
+CC(C)(C)OC(=O)NC1CN(c2c(cncc2)NC(c3nc4n(C5CCC5)ccc4cc3)=O)CC(C)C1	510
+C1CCCC12CCCC(C2O)C(OC)=O	770
+c1cc(ccc1)COc2cc(C(N3CCC(CC3)N4C(C5(CCCC5)C(c6cc(c(OC)cc6)OC)=N4)=O)=O)c(C)cc2	30
+C1CCC2(C1)c3ccc(N)cc3C(C2)=O	0
+C1CCC2(C1)CC(CC=O)(CCO2)n3nccc3	1981
+C1CCCC12CC(CCNCc3cccs3)(CCO2)n4nccc4	110
+C1CCC2(C1)C(=O)C(CCC2)C(OC)=O	6532
+c1cc(ccc1)CN2C3(CCCC3)CNC(C)(C)C2	15
+C1CCC2(C1)c3ccc(cc3C(=O)C2)O	477
+C1CCCC12CC(c3cc(OC)ccc23)=O	65
+C1CCC2(C1)CC(=O)c3cc(ccc23)[N+](=O)[O-]	77
+C1CCN2CCCC1(CN)C2	15
+CC(C)(C)[Si](C)(C)OC1CCCC2(C(CCCC12)=O)C	19
+C[Si](C)(C)C#Cc1ccc(N2C3CCCC3N(C)C2=O)nc1	3819
+C1CC(C(O)=O)=C(C(=O)Nc2sc3CCCc3c2-c4onc(C)n4)CC1	3788
+C1(C2=C(C(=O)N1c3cc(ccc3F)O)CCCC2)=O	2380
+c1cc(ccc1SCC2CCCCC2C(NCC#N)=O)SC	636
+C1CCCC(CC1)(NC(=O)c2ccc(OC)c(OC(C)=O)c2)C(OC)=O	259
+C1CCCC(CC1)(O)CC(Nc2c(C)ccc3C(=O)N(C=Cc23)C(CO)C)=O	59
+C1CCCC(CC1)(CNC(c2cccc3C(=O)N(C=Cc23)Cc4ccc(cc4)F)=O)O	6533
+C1CCCC(CC1)N2CCC3(CC2)OC(N(C)c4ccccc34)=O	6534
+C1CCCCC(C1)Oc2ccc(nc2)Cl	1346
+C1CN(CCN1C(=O)NC2CCCCC(O)C2)c3ccnc4cc(Cl)ccc34	2041
+CC(C)(C)OC(N1CCC(CC1)NC2CCCCC2CN=[N+]=[N-])=O	87
+c1cc(ccc1OC=2C=NN(C(C(=O)O)CC3CCCC3)C(C=2)=O)OC	6535
+C1CCOC(N2C(C(Cl)=C(Oc3c(cccc3)C(C)=O)C=N2)=O)C1	3820
+C1CCOC(N2C(C(=C(Oc3c(C)c(C)ccc3C)C=N2)Cl)=O)C1	3820
+FC(F)(F)c1c(ccc(c1)-c2cc3c(ncn3C4CCCCO4)c(C#N)n2)OCCCO	1165
+CC1(C)OB(OC1(C)C)c2cc(C)c3c(n(C4CCCCO4)cn3)c2	1623
+C1CCCC(O1)n2cnc3c2ccc(C#N)c3Cl	2627
+C1CCCC(n2c(OC)nc3c(nc(OC(CC)C)nc23)N)O1	1010
+C1CCCC(n2c(OC)nc3c(nc(OC(CCC)C)nc23)N)O1	1010
+C1CCCC(n2c(OC)nc3c(nc(OCC(C)CC)nc23)N)O1	1010
+CCC#Cc1ccc2c(c1Cl)cnn2C3CCCCO3	3729
+c1cc([N+]([O-])=O)cc(F)c1Oc2c(cc3n(C4CCCCO4)ncc3c2)C(=O)OCC	46
+c12ccc(-c3c(CC)cc(OC)c(c3)F)cc1n[nH]c2	804
+C1CC1c2c(-c3ncc4c(c3)n(nc4)C5CCCCO5)cc(F)c(c2)OC	3821
+c1ccccc1COc2ccc3c(nn(c3c2)C4OCCCC4)C(OCC)=O	22
+[N-]=[N+]=NCc1ccc2c(c1)n(C3CCCCO3)nc2	545
+C1CCCC(n2c3ccc(C#CC=O)cc3cn2)O1	2628
+CC(C)COc1ccc2c(c(nn2C3OCCCC3)C=O)c1	116
+c1cc(ccc1Oc2ccc3c(c(nn3C4OCCCC4)C=O)c2)[N+](=O)[O-]	46
+c1cc([N+]([O-])=O)cc2c(nn(C3CCCCO3)c12)-c4[nH]c5c(cccc5)n4	567
+c1(ccccc1-c2nn(C3CCCCO3)c4ccc(C#N)cc24)OC	1624
+c1cc(ccc1)CN2C(C)CC(Cn3c4ccc(-c5cn(C6CCCCO6)nc5)cc4cn3)C2	6536
+c1cc(ccc1)CCC(=O)N2C(C)CC(C2)Cn3ncc4c3ccc(-c5cn(C6CCCCO6)nc5)c4	58
+c1ccccc1S(=O)(=O)n2ccc3c2ncc(-c4c(-c5ccnc(SC)n5)cn(C6CCCCO6)n4)c3	276
+C1CC(CCN1C(=O)OCc2ccccc2)Cn3c4c(nc(cc4)-c5cn(nc5)C6CCCCO6)cc3	6537
+CC1(C)OB(OC1(C)C)c2cn(C3CCCCO3)nc2	2611
+C1CCCC(n2cnc(-c3sc(-c4ccnc(NC(OC)=O)c4)c(C#N)c3Br)n2)O1	6538
+C1CCCC(n2cnc3c2nc(nc3N)OCC(C)CC)O1	482
+C1CCCC(n2cnc3c2nc(nc3N)OC(CCC)C)O1	482
+CC(C)(C)OC(=O)N1CCN(C(C)c2cnc(F)c(-c3nc(nc4n(cnc34)C5CCCCO5)C)c2)C(C1)C	3822
+CC(C)(C)OC(N1CCN(CC1)Cc2cc(-c3c4c(n(cn4)C5CCCCO5)nc(n3)C)c(nc2)F)=O	3822
+CC(C)(C)OC(=O)N1CCCC(Nc2nc(Cl)nc3n(C4OCCCC4)cnc23)C1	516
+C1CCCC(n2cnc3c2nc(Cl)nc3N)O1	1095
+c1cc(ccc1)C(c2ccccc2)CNc3nc(Cl)nc4c3ncn4C5OCCCC5	516
+c1(nc(c2c(n1)n(cn2)C3CCCCO3)N)NC(CCC)C	1333
+CC(C)(C)OC(=O)N1CC(C1)c2c(OC)c(cc(c2C)Cl)C(C)Nc3c4ncn(c4ncn3)C5CCCCO5	2042
+c1cc(ccc1[N+]([O-])=O)Oc2c3ncn(C4OCCCC4)c3ncn2	6539
+n1c2cccnc2c(-c3ccc(cc3F)C(=O)OC)[nH]1	6540
+C1CCCCN1CCOc2cc3c([nH]c(-c4nn(cc4[N+]([O-])=O)C5OCCCC5)n3)cc2F	567
+N1(C)CCN(c2c(cc3nc([nH]c3c2)-c4c([N+]([O-])=O)cn(C5CCCCO5)n4)F)CCC1	567
+CN(C)CCNc1c(F)cc2[nH]c(nc2c1)-c3nn(cc3[N+]([O-])=O)C4OCCCC4	567
+C1CCCC(n2nc(c3cccnc23)CCO)O1	95
+Clc1cc(C#N)cc(c1)OC2=C(C)C=CN(CCc3c4cccnc4n(n3)C5CCCCO5)C2=O	6541
+FC(F)(c1ccccc1)c2nc(on2)C3CCC(Nc4c5c([nH]nc5)ncn4)C3	6542
+c1ccccc1-c2nc(on2)C3CCC(Nc4ncnc5c4cnn5C6OCCCC6)C3	3823
+C1CN(CCC1Nc2c3c(ncn2)n(C4OCCCC4)nc3)CC(F)(F)Cc5ccccc5	3823
+c1cc(ccc1C2(CCCC2)C(NCC(=O)OC)=O)-c3ccc(cc3)CCN4C(CCC4)C	188
+C1CCCC1(C(O)=O)Cc2ccccc2	3
+C1CCCC1(c2c(Cl)c(cs2)C)C(=O)NN	1296
+c1c(Cl)c(c(cc1)Cl)C(Nc2ccc(cc2)CC(NC(=S)C3(CCCC3)CCCCS(=O)(=O)C)C(=O)OC)=O	50
+c1cc(ccc1NC(c2c(Cl)cccc2Cl)=O)CC(NC(=O)C3(CCCC3)CCOC)C(OC)=O	188
+c1cc(ccc1CC(C(OC)=O)NC(C2(CCCC2)Cc3ccccc3)=O)[N+]([O-])=O	188
+C1CCCC1(C(Cl)=O)c2c(Cl)c(cs2)C	130
+C1CCC(C1)(CC(N)=N)c2c3c(ccc2)cccc3	3824
+C1CCC(C1)(CC(Cl)=C)C(O)=O	4
+CC(C)(C)OC(c1c(OCc2ccccc2)c(O)nc(CC3(CCCC3)c4ccc(cc4)Br)n1)=O	6543
+C1CCCC1(C(O)=O)CCOC	4
+C1CCCC1(C#N)COCc2ccccc2	149
+CC(C)(C)OC(=O)NCC1(CCCC1)CO	37
+C1CCCC1(COS(=O)(=O)C)c2c3ccccc3ccc2	7
+C1CCCC1(CC#N)c2cccc3ccccc23	300
+C1CCCC1(NC(=O)c2ccc3c(c2OCC4Oc5ccccc5OC4)cccc3)C(=O)OC	259
+C1CCCC1(C(O)=O)NC(c2ccc3ccccc3c2OCC4Oc5ccccc5OC4)=O	4
+C1CCCC1(c2ccc(cc2)O)C	957
+C=1CCCC=1c2ccncc2Br	252
+C1CCCC1(O)c2c(cncc2)N3C(N(c4cc(ncc4)Cl)CC3)=O	3825
+C1CCC(C1)(c2scc(c2Cl)C)C(NNC(NC)=S)=O	6544
+C1CCCC1(c2c(c(cs2)C)Cl)c3nnc4n3CCCCC4	3826
+c1cc(ccc1Br)C2(CCCC2)CC#N	300
+C1CC(CCC1C2(CCCC2)C)O	2391
+CC(C)(C)OC(=O)c1nc(CC2(CCCC2)c3ncccc3)nc(O)c1OCc4ccccc4	6545
+C1CCCC12C(CN(C(CC#N)=O)C2)Nc3nc(Nc4cn(C)nc4)ncc3C	10
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(C3(CCCC3)C(c4cc(c(OC)cc4)OC)=N2)=O	6546
+C1CC(CCC1)N2N(C(C)=C(NC(c3noc(C4=CCC5(CCCC5)CC4)c3C)=O)C2=O)C	2629
+C1CCCC12CC=C(c3c(C)c(C(=O)O)no3)CC2	6
+C1CCC2(C1)C(OS(=O)(=O)C)C(C(=O)OC)CCC2	7
+C1CCC(C1)(Sc2ccc(cc2)Oc3ccccc3)CC(=O)O	6547
+C1CCCC1c2c(C(=O)OCC)c(C3CCCC3)on2	6548
+C1CCCC1C(CC#N)=O	1982
+C1CCCC1C(c2ccc(cc2)Cl)C(O)=O	4
+C1CCC(C1)C(C(OC)=O)c2cc(CC(=C)C)c(O)cc2	1625
+C1CCCC1c2cc(n[nH]2)N	3321
+Clc1cccc(Cl)c1-c2noc(C3CCCC3)c2C(=O)OCC	6549
+C1CCCC1c2n(CC(OCC)=O)c(cc2)C	6550
+C1CN(CCN1C2CCCC2)c3nccc(NC(C4CCCC4)=O)n3	195
+FC(F)(F)c1cc(cc(NC(=O)C2CCCC2)c1)-c3cnco3	26
+c1cc(ccc1NC(=O)C2CCCC2)S(=O)(=O)C	26
+C1CCC(C1)C(=O)Nc2c3c([nH]c2)ncc(Cl)c3F	308
+C1CCCC1C(=O)Nc2cccc(NC=3C=C4N(CCc5c4ccc(OC)c5)C(=O)N=3)c2	6551
+C1CCC(C1)C(NC(CC)c2c(nc(-c3cc(ccc3)[N+](=O)[O-])nn2)O)=O	68
+C1CCC(C1)C(NC(c2c(nc(C3OCCC3)nn2)O)CC)=O	68
+CC(C)(C)OC(N1CCCC(c2nc(C3CCCC3)on2)C1)=O	1166
+C1CCC(C1)C(=O)NCCn2c3CCN(Cc3c4cc(ccc24)C)C	9
+C1CC(CCN1C)OC(C(c2cccc(F)c2)(C)C3CCCC3)=O	2630
+CC(C)(C)OC(C1(CC1)Cc2cc(ccc2)NC(=O)C(c3ccc(cc3)COC(C)=O)C4CCCC4)=O	33
+CC(C)(C)OC(C1(CC1)Cc2cc(ccc2)NC(=O)C(C3CCCC3)c4ccc(cc4)Cl)=O	33
+c1ccccc1C(C2CCCC2)(C(O)=O)C	4
+C1CCCC1C2(CCN(CC2)c3ccc(cc3)C(=O)NN)OC	1094
+c1cc(ccc1F)Cc2nc(on2)C3=C(OCc4ccccc4)C(=O)N(C(=N3)C5CCCC5)C	6552
+CC(C)OC(c1cc2c(cc1)C3=NN(C(C4CCCC4)C3CC2)c5cc(Cl)c(C#N)cc5)=O	47
+C1CCCC1C2N(N=C3c4ccc(cc4CCC23)C(=O)O)c5cc(Cl)c(C#N)cc5	1
+C1CCCC1C2=NC(=C(C(=O)N2C)OCc3ccccc3)C(O)=O	108
+C1CCCC1C=C(c2n(c3ncc(OC(C)C)cc3c2)S(=O)(=O)c4ccccc4)c5ccc(cc5)S(=O)(=O)C	2034
+C1CCCC1C=C(c2ccc(cc2)S(=O)(=O)C)c3cc4c(ncc(c4)O)n3S(=O)(=O)c5ccccc5	390
+C1CCC(C1)C=C(c2cc3c(ncc(c3)OC(C)C)[nH]2)c4ccc(cc4)S(=O)(=O)C	1017
+C1CCCC1CC#Cc2cc(C(=O)NC(CO)Cc3c[nH]c4ccccc34)c(OC(C)C)cc2	121
+C1CCCC1CC(=O)Nc2cnc3n(ccc3c2NC4CCN(CC4)S(=O)(=O)C)S(=O)(=O)c5ccccc5	112
+c1cc(ccc1C(CC2CCCC2)=O)CCl	109
+C1CCC(C1)CC(CN(OCc2ccccc2)C=O)C(=O)NNc3nc(nc(N4CCN(CC4)C)c3F)CC	355
+C1CCCC1CC(C(=O)Nc2ccn(CC(C)(C)O)n2)N3N=CC=CC3=O	142
+C1CCCC1CC(C(OC)=O)O	27
+C1CCCC1CC(C(Nc2ncc(Br)cc2)=O)c3ccc(c(F)c3)-n4c(nnn4)C	142
+C1CCC(C1)CC(C(=O)Nc2sccn2)c3ccc(cc3)-c4ccc5c(c4)cc[nH]5	373
+c1cc(ccc1C(C(Nc2ccccn2)=O)CC3CCCC3)-c4cnccc4	142
+C1CCC(C1)CC(c2ccc(cc2)I)C(OC)=O	27
+c1ccccc1C(=O)Nc2ccc(cc2)C(CC3CCCC3)C(=O)Nc4sccn4	373
+c1cc(ccc1N)C(CC2CCCC2)C(=O)O	0
+c1cc(ccc1C(C(=O)Nc2sccn2)CC3CCCC3)[N+]([O-])=O	373
+C1CCCC1CC(C(NC2CCCN(S(=O)(=O)c3ccccn3)CC2O)=O)NC(=O)c4occc4	2043
+C1CCCC1CC(C(NC2C(O)CNCCC2)=O)NC(=O)c3occc3	62
+C1CCCC1CC(NC(=O)c2occc2)C(=O)NC3CCCN(S(=O)(=O)c4ccccn4)CC3=O	86
+C1CCCC1CC(N)C(OC)=O	27
+C1CCCC1CC(C(=O)O)O	2631
+C1CCCC1CC(c2ccc(S(=O)(=O)C)c(c2)Cl)C(O)=O	902
+C1CCCC1CC(C(OC)=O)N2C(C=C(Oc3c(C)ccc(C)c3C)C=N2)=O	3827
+C1CCCC1CC(N2C(=O)C=C(C=N2)Oc3c(cccc3)C(=O)C)C(OC)=O	3827
+C1CCCC1CC(N2C(C=CC=N2)=O)C(OC)=O	6553
+C1CCC(C1)CC(C(=O)O)N2C(C=C(Oc3c(C)ccc(C)c3C)C=N2)=O	4
+c1cc(ccc1C(C(N)CC2CCCC2)N)Cl	2526
+FC(F)(F)c1cccc2c1CN(C2=O)C(C(OC)=O)CC3CCCC3	1880
+C1CCC(C1)CC(N2C(C=C(Oc3c(cccc3)C(=O)C)C=N2)=O)C(=O)O	4
+C1CCCC1CC(C(=O)O)N2N=CC=CC2=O	4
+C1CCCC1CC(C(=O)Nc2nc3ccccc3cc2)c4cc(C#N)c(cc4)S(=O)(=O)C	142
+c1cc(ccc1C#N)Cn2ccc(NC(=O)C(c3cc(c(S(=O)(=O)C)cc3)Cl)CC4CCCC4)n2	6554
+C1CCCC1CC(c2cc(c(S(=O)(=O)C)cc2)Cl)C(=O)Nc3ccn(n3)C	142
+C1CCCC1CC(C(=O)Nc2ncc(nc2)CC#N)c3cc(c(S(=O)(=O)C)cc3)Cl	1018
+c1cc(ccc1C(C(=O)Nc2sccn2)CC3CCCC3)Br	373
+CN(C)CC#Cc1ccc(cc1)C(C(=O)Nc2sccn2)CC3CCCC3	373
+c1cc(ccc1C#Cc2ncccc2)C(C(=O)Nc3sccn3)CC4CCCC4	373
+C1CCCC1CCC(=O)N2CCC3c4cccc(OC)c4CCC23	58
+CC(C)(C)OC(C(O)=O)c1c(nc2cc(nn2c1-c3cc(c4c(CCCO4)c3C)F)NC(=O)CCC5CCCC5)C	195
+C(c1cccc(CC)c1NC(CCC2CCCC2)=O)C	26
+FC(F)(F)c1cc(Br)cc(Cl)c1NC(=O)CCC2CCCC2	26
+C1CCC(C1)CCC(Nc2c([N+](=O)[O-])cc3C(CCc3c2)=O)=O	26
+C1CCC(C1)CCCN2C3CCc4c(cccc4C3CC2)OC	15
+C1CCCC1CCCC=O	3828
+C1CCCC1CCCCO	237
+C1CCCC1CCC=O	24
+FC(F)(F)c1c(cc(C(C(OC)=O)CC2CCCC2)cc1)F	434
+FC(F)(F)c1cc(C(C(O)=O)CC2CCCC2)ccc1F	434
+C1CCC(C1)CC(C(OC)=O)c2cc(c(SC)cc2)Cl	434
+C1CCC(C1)CC(c2ccc(c(Cl)c2)Cl)C(O)=O	434
+C1CCCC1CC(c2ccc(cc2)Br)C(=O)O	434
+C1CCC(C1)CC(c2ccc(cc2)OCc3ccccc3)C(OC)=O	434
+c1cc(ccc1C(C(OCC)=O)CC2CCCC2)S(=O)(=O)CC(C)=O	434
+C1CCCC1CC(C(=O)O)c2ccc(cc2)I	434
+C1CCC(C1)CC(c2ccc(cc2)[N+]([O-])=O)C(OCC)=O	434
+C1CCCC1CNc2c([N+]([O-])=O)cc(cc2)N(S(=O)(=O)c3ccccc3)C	60
+C1CCCC1CN(c2ccc(nc2C=O)OC)CC	178
+C1CCCC1CN(CC)c2c(nc(cc2)OC)CO	1262
+CC(C)(C)OC(=O)c1ccc(Cn2cc(C=O)c3c2cc(cc3)CC(NCC4CCCC4)=O)c(OC)c1	190
+C1CCCC1CNC(=O)Cc2cc3[nH]cc(C=O)c3cc2	287
+C1CCCC1CNc2c(N)cc(cc2)N(C)S(=O)(=O)c3ccccc3	0
+C1CCCC1CS(=O)(=O)NC(=O)C2CCN(CC2)c3nc(C)c(cc3C#N)C(OC(C)C)=O	344
+C1CCCC1Oc2cc(O)c(C=O)cc2	313
+C1CCCC1NCCc2ccc(cc2)OC	6555
+C1CCCC1Oc2ccc(cc2)Cc3cc(ccc3Cl)Br	313
+C1CCC(C1)Nc2n3nc(-c4ccco4)c(c3ccc2)-c5nc(NC6CCCC6)ncc5	1162
+C1CCC(C1)Nc2nccc(n2)-c3c(nn4c(NC5CCCC5)cccc34)Cc6ccccc6	1162
+C1CCC(C1)Nc2nc(ccc2)CCOC3OCCCC3	340
+CC(C)(C)OC(=O)NC(C(=O)NC1CCCC1)CC#N	9
+C1CCCC1Nc2cc(ccn2)-c3c(c4ccccn4n3)-c5ccnc(NC(C)C)n5	182
+C[Si](C)(C)CCOCn1c2nc(Cl)nc(c2c(I)c1)NC3CCCC3	974
+C1CCCC1Nc2c(C)c(C)nc(NCc3ccccn3)n2	40
+C1CCCC1Nc2cc(ccc2C#N)Cl	60
+C1CCCC1Nc2ncccc2C(=O)c3c4c([nH]c3)cc(Cl)cc4	70
+C1CCCC1Nc2nc(Cl)ncc2[N+](=O)[O-]	40
+c1(nc(nc(Cl)c1)NC2CCCC2)Cl	96
+FC(F)(C)C(=O)NC(C)C(Oc1cc2cnn(-c3cccc(c3)C(=O)NC4CCCC4)c2cc1)c5ccc(OC)nc5	2527
+C1CCC(C1)NCC(=O)N2C(C#N)CCC2C	402
+C1CCC(C1)Nc2c(nc(c(n2)C#N)C#N)N	464
+C1CCC(C1)Nc2ccc(cc2)S(=O)(=O)Oc3ccc4nc(Nc5cc(c(cc5)OC)OC)n(c4c3)Cc6ccccc6	60
+C1CCC(C1)NS(=O)(=O)c2cc(cc3ncccc23)-c4c(noc4C)C	71
+C1CCCC1NCc2cccc(OCC3OC3)c2	42
+C1CCC(C1)Nc2cc(ccn2)-c3c(nn4ccccc34)-c5nc(sc5)C	182
+C1CCCC1Nc2cc(Cl)nc(NC3CCCC3)n2	40
+C1CCC(C1)Nc2cc(cc3c(c(nn23)-c4ccc(cc4)OC)-c5nc(SC)ncc5)Cl	1162
+c1cc(ccc1C(CBr)=O)S(=O)(=O)NC2CCCC2	71
+C1N(CC1)C2=NC3C(O)C(O)C(CNC4CCCC4)OC3S2	463
+C1CCC(C1)Nc2cccc3c(c(nn23)-c4ccc(cc4)F)Br	1162
+c1cc(ccc1F)-c2n(-c3nc(ncc3)NC4CCCC4)c5ccc(nc5n2)Cl	306
+C1CCC(C1)NCc2ccc(cc2)N3c4c(cc(c(c4Cl)N5CCN(CC5)c6ccccn6)F)C(=O)C(C(OCC)=O)=C3	370
+c1cc(ccc1OC)CN2C(=O)C(=C(CNC3CCCC3)N(CCC)C2=O)[N+](=O)[O-]	6556
+C1CCC(C1)Nc2cccc3c(c(nn23)-c4ccncc4)C(C)=O	1162
+C1CCCC1Nc2c3n(c4c(cccc4)n2)c(C)nn3	3829
+C1CCCC1Nc2c(I)c(Cl)nc(CC)n2	40
+C1CCCC1N2CC(C(Nc3cnc(Cl)nc23)=O)CCC	1622
+C1CCCC1N2c3c(cnc(Cl)n3)NC(C(C)(C2)F)=O	1622
+C1CCCC1N2CC(F)(F)C(=O)Nc3cnc(Cl)nc23	1622
+c1cc(ccc1C(=O)NN(c2c(Br)cnc(C#N)n2)C3CCCC3)CCl	1798
+C1CCCC1N2c3c(NC(C2CC)=O)cnc(Cl)n3	2044
+C1(C)CN(CC(C)O1)c2ccc(Nc3ncc4C(=C(C(=O)N(C5CCCC5)c4n3)C(C)=O)C)nc2	6557
+C1CCCC1N2N(C(CN3CCN(CC3)c4c(ccc(Cl)c4)OC)=C(C2=O)Cl)C	3830
+C1CCCC1N2C(CC)C(=O)N(C)c3cnc(nc23)-c4c(cncc4)CNS(=O)(=O)C	111
+C1CCCC1N2CCc3c(cc(cc3)O)C2=O	5
+C1CCC(C1)N2c3nc(ncc3N(C(=O)C(F)(C)C2)C)Nc4ccc(cc4OC)C(=O)O	55
+CC1(C)C(N(c2c(N(C3CCCC3)C1)nc(Cl)nc2)C)=O	998
+C1CCCC1N2c3c(cc(F)c(NC4CCCCC4)c3)C(=O)C(Oc5ccc(cc5)C(O)=O)=C2	872
+FC1(F)C(N(c2c(nc(Nc3cc(F)c(C(=O)OC)cc3OC)nc2)N(C4CCCC4)C1)C)=O	55
+C1CCCC1N2CC(C(=O)N(C)c3c2nc(Cl)nc3)(C)F	998
+C1CCCC1N2c3c(cnc(Nc4c(cc(C(=O)NC5CN6CCC5CC6)cc4)OC)n3)N(C)C(C(C)(C)C2)=O	14
+C1CCCC1NC(C2(C(=O)NCCC2)COc3cccc(N)c3C#N)=O	623
+C1CCCC1NC(=O)C2(C(=O)NCCC2)COc3c(C(N)=N)c(ccc3)N	6558
+C1CCCC1NC(=O)C2(COc3cccc(N)c3C(NO)=N)C(=O)NCCC2	181
+C1CCCC1NC(=O)C2(C(=O)NCCC2)COc3cccc(c3C#N)F	57
+C1CCCC1N(CC(C(=O)OCC)CCC)c2nc(Cl)ncc2[N+](=O)[O-]	54
+C1CCCC1N(CC(C(OCC)=O)(C)F)c2nc(Cl)ncc2[N+]([O-])=O	54
+c1cc(ccc1)CN(C2CCCC2)CC(C(OCC)=O)(O)C	131
+CC(C)(C)OC(N(Cc1cc(ccc1)OCC2OC2)C3CCCC3)=O	23
+O=S1(=O)CCC(Nc2c(C)c(C)nc(NCc3ccccn3)n2)C1	3793
+c1(F)cc(Nc2nc(NCc3ccccn3)nc(c2C)C)ccc1F	6559
+C1CCC(C1)Nc2c(C(=O)Nc3cc4c(CCC(=O)N4C)cc3)ccc(c2)Cl	67
+C1CCC(C1)Nc2nc(N3CCNCC3)cc(n2)NC4CCCC4	54
+C1CCCC1Nc2cc(Cl)ccc2C(=O)O	3831
+C1CCCC1Nc2nccc(-c3nn4c(cccc4Cl)c3-c5nc(NC(C)C)ncc5)c2	2621
+C1CCC(C1)Nc2nc(ccn2)-c3c(nn4c(nccc34)SC)-c5cc(Cl)ccc5	6560
+c1ccccc1CCNc2ncccc2C(c3c[nH]c4cc(Cl)ccc34)=O	6561
+C1CCC(C1)OC(=O)Nc2ccc3c(n(Cc4ccc(C(=O)OC)cc4OC)nc3OC)c2	90
+C1CCCC1OCC(Nc2nn3c(nc(cc3C)C)c2-c4cc(C)c(cc4)Cl)=O	195
+C1CCCC1OCC(Cl)=O	130
+O=S(=O)(C)c1c(Cl)cc(cc1)C(=NOC2CCCC2)C(Nc3nn(CCC)cc3)=O	6562
+C1CCC(C1)Oc2cc(c(F)cc2Cl)NC(OC)=O	6563
+C1CCCC1Oc2c(OC)cc(cc2)CC(O)=O	4
+C1CCCC1Oc2cc(C(=O)Cl)ccc2SC	82
+C1CCCC1Oc2cc(NC(=O)C=3CCCCC=3C(NCCCC)=O)c(F)cc2Cl	3440
+C1CCCC1Oc2c(SC)ccc(C(O)=O)c2	1
+Clc1cncc(Cl)c1NC(c2ccc(SC)c(OC3CCCC3)c2)=O	50
+C1CCC(C1)Oc2cc(ccc2OC)C=3CC(ON=3)(CC(=O)OC)C(O)=O	4
+FC(F)(F)S(=O)(=O)Oc1cc(OC2CCCC2)ccc1C=O	166
+C1CCCC1Oc2cc3c(cc2OC)C(Cc4cc(OC)ccc4)NC=C3C=O	6564
+C1CCC(C1)Oc2c(OC)cc3c(Cc4cc(OC)ccc4)ncc(C=O)c3c2	6565
+FC(F)(F)c1nn(-c2ccc(cc2)CNS(=O)(=O)C3CCCC3)c4c1CCCC4	111
+C1CCC(C1)Sc2c(C=CC(=O)NC3C(CCCC3)O)cccc2	2632
+C1CCCC1c2ccc(cc2)-c3c(cn(C)c3C(OCC)=O)C#N	6566
+C1CCC(C1)c2c(CO)c(on2)C3CCCC3	903
+C1CCCC1c2c3c(c(O)nc(CNC(C)=O)n3)[nH]n2	6567
+C1CCC(C1)c2c(C(O)=O)c(Cl)ccc2	1
+C1CCC(C1)c2noc(C(=O)N)c2N	6568
+C1CCCC1c2ccncc2N3C(=O)N(c4ccnc(Cl)c4)CC3	3825
+C1CCCC1c2c3c(n[nH]2)c(nc(CN)n3)O	524
+C1CCCC1c2n[nH]c3c(O)nc(CNCCCl)nc23	110
+O=S(=O)(Cl)c1ccc(OCC)c(-c2nc3c(noc3c(O)n2)C4CCCC4)c1	240
+C1CCCC1c2c(OCc3ccccc3)ccc(C=CC(=O)OCC)c2	530
+C1CCCC1c2c(OC(=O)OC)cc(N)c(c2)Cl	0
+C1CCC(C1)c2cc(O)c(cc2)C=O	491
+c1ccccc1COc2cc(ccc2)C3CCCC3	22
+C1CCC(C1)c2cc(n[nH]2)Nc3cc(C)nc(Cl)n3	349
+c1cc(ccc1C2CCCC2)-c3ccnc(c3)-c4c5c(c6ccc(C)nc6o5)ccc4	6569
+c1cc(ccc1N2C(=O)c3ccccc3N=C2c4cnc(Cl)cc4)C5CCCC5	6570
+O=S(=O)(N1CCCC1)c2ccccc2Cc3c(n(CC(OCC)=O)c(C4CCCC4)c3)C	1919
+C1CCCC1c2nc(C)c3C(NC(=Nn23)c4cc(N)ccc4OCCC)=O	0
+C1CCCC1c2n3N=C(NC(=O)c3c(C)n2)c4cc(NS(=O)(=O)c5cc(C#N)ccc5)ccc4OCCC	69
+C1CCCC1c2c(c(on2)C(=O)N)[N+](=O)[O-]	2633
+c1(Cl)cccc(Cl)c1-c2noc(c2COc3ccc(cc3)-c4cc5c(cc4)nc(cc5)C(OC)=O)C6CCCC6	20
+C1CCCC1n2c(cc3c2nc(Cl)nc3)C(O)=O	2634
+C1CCC(C1)N2C=3C(C(=O)N=C(c4c(OCC(OCC)=O)cccc4)N=3)=C(CC)N2	2635
+C1CCC(C1)N2C3=NC(c4cc(OCC(OCC)=O)ccc4)=NC(=O)C3=C(N2)CC	2635
+C1CCC(C1)N2C3=NC(c4cccc(OCc5ccncc5)c4)=NC(=O)C3=C(N2)CC	2635
+C1CCCC1n2ncc(c2N)C(N)=O	3832
+C1CCCC1n2c3nc(nc(c3nn2)O)CCl	6571
+C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3	147
+C1CCCC1n2c(C=O)cc3c2nc(Cl)nc3	1921
+C1CCCC1n2nc(-c3cc(CC#N)ccc3)c4c2ccnc4O	104
+CC(C)(C)OC(Nc1c(OC)cc(cc1)-c2c3c(ncnc3Cl)n(c2)C4CCCC4)=O	1311
+C1CCCC1n2nc(-c3cc(CC(=O)N)ccc3)c4c2ccnc4O	527
+C1CCC(C1)n2ncc3c2nc(nc3O)CC4CCCCC4	6572
+C1CCC(C1)n2c(-c3ccc(cc3N)Br)ccn2	0
+c1cc(ccc1OC)CN(Cc2nc3n(nnc3c(O)n2)C4CCCC4)CCCl	48
+C1CCCC2(CC1)CCC(COc3ccc(cc3)CCC(=O)OC)C2	20
+C1CCCC2(CC1)CCC(COc3ccc(cc3)CCC(=O)O)C2	4
+C1CCCc2c(Cl)n3nccc3nc2C1	3833
+C(Cn1c2c(cc(C(=O)N3C4C(CCCC4)CCC3)cc2)nc1)N=[N+]=[N-]	30
+C1CCCC=C1CCC(OC)=O	27
+C1CCCC=C1CCC(=O)O	1317
+C(COc1cccc(-c2noc3cc(ccc23)F)c1)(CNCCC=4CCCCC=4)O	122
+c1cc(ccc1C(c2ccc(cc2)O)=C3CCCCCC3)C=CC(=O)N	2045
+C1CCCCC(C1)=C(c2ccc(cc2)OC(C)(C)CO)c3ccc(cc3)O	44
+c1ccccc1N2CNC(=O)C23CCN(CC3)C4(CCCCCC4)C#N	735
+C1CCCC(CC1)N2CCC3(CC2)OC(Nc4ccccc34)=O	85
+O=C(OCC)C(=O)C1C(CCCCC1)=O	3834
+C1CCCCCC12OC2	1626
+C1CCCCCC1=C(c2ccc(cc2)O)c3ccc(cc3)Br	904
+C1CC(CCCC1)=C(c2ccccc2)c3ccc(cc3)Br	904
+c1cc(ccc1O)C(c2ccc(cc2)O)=C3CCCCCC3	904
+CC(C)(C)OC(=O)NCc1ncc(OC2CCCCCC2)cc1	3835
+C1CCCCC(C1)Oc2ccc(C#N)nc2	1958
+C1CCCCCCCCCC(C1)C=CCc2ccccc2	1516
+c1cc(ccc1C2(C3(CCCCC3)O2)OC)SC	2636
+C1CCCCC1(C#Cc2ccc(cc2)C(CC3CCCC3)C(=O)O)O	4
+C1CCCCC1(C#Cc2ccc(cc2)C(C(=O)Nc3sccn3)CC4CCCC4)O	373
+C1CCCCC1(C)C(NC2CN(CCC2)S(=O)(=O)c3cccc(c3C)Cl)=O	9
+C1CC(CCC1)(c2c(nnc(Cl)c2)Cl)C	3836
+CC(C)(C)OC(=O)N1CCC(C(O)C1)NC(=O)C2(CCCCC2)NC(=O)c3ccco3	9
+FC(F)(F)c1ccc(cc1)NC(=O)NC2(CCCCC2)C(=O)OC	6573
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+C1CC(CCC1)(NC(c2cc3ccccc3o2)=O)C(=O)NC4CCN(c5ccccc5-n6nnnc6)CC4=O	86
+C1CC(CCC1)(c2cc3nnc(-c4c(cc(F)cc4)F)n3nc2OCc5n(ncn5)C)C	485
+C1CCCCC1(c2c(OC(OC)=O)cc(c(F)c2)[N+](=O)[O-])C	77
+C1CC(CCN1CCC2(CCCCC2)CC)Nc3ccc(cn3)C	61
+C1CCCCC1(CC)CC=O	24
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CC=C	19
+CC(C)(C)OC(C1CN(C1)Cc2ccc(cc2)-c3noc(CCC4(CCCCC4)c5ccccc5)n3)=O	1289
+C1CCCCC1(CNC(OC(C(C)C)OC(=O)C(C)C)=O)CC(=O)OC	3837
+C1CC(CCC1)(O)Cn2c(nc3cnc4cccnc4c23)CCC	3838
+C1CC(CCC1)(C#N)NC(=O)c2cnn3c(c(cnc23)-c4ccccc4Cl)-c5ccc(cc5)Cl	1339
+C1CC(CCC1)(N)CO	21
+CC(C)(C)OC(=O)NC1(CCCCC1)CNc2c3c(ncc2[N+](=O)[O-])cccc3	37
+C1CCCCC12C(O)=C(C(N2)=O)c3c(ccc(c3)Br)C	997
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+C1CCCCC1(NS(=O)(=O)c2ccc(cc2)C)C(=O)c3cc(Cl)cc(c3)Cl	155
+C1CC(CCC1)(O)CNc2c(c(nc(C)c2C)Cl)[N+](=O)[O-]	105
+C1CC(CCC1)(CNc2c3ncccc3ncc2[N+](=O)[O-])O	3686
+C1CCCCC1(c2c(OC(OC)=O)cc(c(F)c2)N)C	0
+C1CCCCC1(c2ccc(cc2)CNC(c3c(C)nc4ncccc4c3)=O)O	56
+c1cc(ccc1)C2(CCCCC2)CN	51
+c1c(Cl)c(c(cc1Br)Cl)CN2CCC3(CCCCC3)C2=O	806
+Clc1cc(cc(Cl)c1CN2CCC3(CCCCC3)C2=O)OCc4ccccc4	806
+CC(C)(C)OC(n1cccc1-c2ccc3c(C4(CCCCC4)C(=O)N3)c2)=O	3839
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+C1CC2(CCC1)ON=C(C(O)=O)C2	3
+c1cc(ccc1C=2C(N(CC(=O)O)C3(CCCCC3)N=2)=O)C	3
+C1CCCCC12N(CC(=O)O)C(C(=N2)c3ccc(cc3)OC)=O	3
+C1CCCCC12N=C(c3ccc(cc3)OC)C(N2CC(=O)OCC)=O	584
+FC(F)(F)C(=O)NCC#Cc1cc(NCC2(CCCCC2)O)ccc1	843
+C1CC(CCC1)=Cc2ccccc2N	0
+C1CCCCC1C2(COC3(CCCCC3)OC2)COC	1526
+CC(C)(C)C1CCC2(CC1)CC(CNC3CCCCC3)(O)CO2	87
+C1CC(CCC1)(c2cc(C(C)C)ccc2)O	251
+COC(OC)c1c([N+]([O-])=O)ccc(c1)Oc2cc(ccc2)NC3CCCCC3	231
+C1CC(CCC1)(C#N)Nc2ccc(cc2)I	1345
+Clc1cc2c(c(c3CCCCc3n2)Cl)cc1	6574
+c1cc(ccc1CN(Cc2nccn2C)Cc3ncc[nH]3)S(=O)(=O)NCCCCNC4CCCCC4	87
+C1CCCCC1NCC(O)C	87
+C1CC(CCC1)NC2CN(CC2)C(=O)OCc3ccccc3	87
+c1cc(ccc1-c2c(C=3CCCCC=3)c4c(cc(C(=O)OC)s4)[nH]2)Cl	6575
+c1cc(ccc1CN(C)CCCCNC2CCCCC2)CN(Cc3n(C)ccn3)Cc4[nH]ccn4	87
+C1CC(CCC1)Nc2n(nc3CCCCc23)-c4ccccc4	1270
+c1ccccc1-n2nc3c(cccc3)c2NC4CCCCC4	1270
+c1ccccc1C(=O)N2Cc3c(CC2)nnc(c3)NN=C4CCCCC4	3506
+C1CC(CCC1)N2CCc3ccc(OCc4ccccc4)cc3CC2	85
+C1CCCCC1c2[nH]c3ncc(Br)cc3c2	3840
+C1CC(CCC1)c2[nH]c3c(nc(cn3)Br)c2	6576
+c1ccccc1COc2ccc3oc(C(C4CCCCC4)=O)c(c3c2)C	6577
+C1CC(CCC1)C(=O)c2c(c(cc(C)c2)C)OC	65
+CC(C)(C)OC(NC(C(Nc1ncccc1C(C2CCCCC2)=O)=O)c3sccc3)=O	142
+CC(C)(C)C(NC(OC(C)(C)C)=O)C(NC(C(=O)OC)C1CCCCC1)=O	188
+C1CC(CCC1)C(NC(=O)c2c(cc(cc2)-c3ccc(OC)c(F)c3)[N+]([O-])=O)C(=O)OC	259
+C1CCCCC1c2nc(sc2C(OCC)=O)-c3c(C)nn4c3cccc4	6578
+CC(C)(C)C(C(=O)OC)NC(=O)C(C1CCCCC1)NC(=O)c2cnccn2	188
+C1CCCCC1C(C2CCCCC2)C(=O)NC3C4C(CN(C4)C(C(N)CC(C)C)=O)CC3	84
+C1CCCCC1C(C2CCCCC2)C(=O)NC3CCC4CN(CC34)C(C(NC(OC(C)(C)C)=O)CC(C)C)=O	10
+CC(C)(C)[Si](C)(C)OC(C=CC1C2CCC(=O)C2CC1)C3CCCCC3	947
+CC(C)(C)OC(NC(CC(=O)O)C1CCCCC1)=O	37
+O1CC(COC1(C)C)(C2CCCCC2)COC	6579
+C1CN(CCN1C)C2(CN(CC3=Cc4ccccc4N(C)C3=O)C(C5CCCCC5)=O)COC=CCC2	2046
+C1CN(CCN1CCCNC(=O)C2CCCCC2)Cc3ccccc3	68
+C1CC(CCC1)C(=O)Nc2cc(ccc2)CCN3CCN(CC3)c4cccc5c4ccc(C)n5	26
+C1CCCCN1C(C2CCCCC2)=O	58
+c1cc(ccc1)-c2c(nc3ccc(C(=O)N4CCN(CC4)C(C5CCCCC5)=O)cn23)C	58
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc(cc2)N(Cc3ccc4c(cc(C#N)cc4)c3)C(=O)C5CCCCC5)=O	192
+CC(C)(C)OC(NC1CN(C(=O)C2CCCCC2)c3ccc(cc3NC1=O)C)=O	192
+C1CCCCC1C(=O)c2c(O)c(cc(c2)C)C	94
+O=S(=O)(N)c1cc2CCN(c2cc1)C(C3CCCCC3)=O	192
+c1cc(ccc1F)C(C2CCCCC2)=O	94
+c1cc(ccc1Cl)C(C2CCCCC2)=O	94
+C1CCCCC1C(Nc2nc3ccc(cc3s2)Cn4c5c(cc(c(c5)OC)OC)nc4)C	3841
+C1CC(CCC1)C(C)NC(c2c(C)c(nc3ccc(F)cc23)-c4ccccc4)=O	14
+C1CC(CCC1)C(C)NC(c2c3ccc(Cl)cc3nc(-c4ccccc4)c2C)=O	14
+C1CCCCC1C(C(=O)NC(C(O)c2nc3c(cccc3)o2)CC)NC(=O)c4ccc(cc4)-c5c(Cl)cccc5	1007
+C1CCCCC1C(CO)Nc2nc3c(cc(cc3)Cn4cnc5c4nccc5)s2	2032
+c1c(C)c(c(cc1C)C)NC(Nc2c(C(=O)NC(C3CCCCC3)C(OC)=O)ccc(-c4cc(c(cc4)OC)F)c2)=O	124
+C1CCCCC1C(C(O)=O)NC(c2cnccn2)=O	4
+C1CCCCC1C(=O)c2cccnc2N	905
+C1CCCCC1C(c2c(F)nccc2)=O	716
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(Nc4c(F)cc(cc4)F)=O)C5CCCCC5	33
+C1CCCCC1C(=O)c2cc([N+](=O)[O-])c(cc2)NC	205
+C1CC(CCC1)C(CN)c2ccccc2	18
+c1cc(ccc1Cl)-n2c(C(C(=O)Nc3ccc(OC(C)(C)C(OCC)=O)cc3F)C4CCCCC4)c5CCCCCc5n2	33
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(C3CCCCC3)C(=O)O	23
+CC(C)(C)NC(C1(CCN(CC1)C(OCc2ccccc2)=O)C3CCCCC3)=O	9
+FC(F)(F)c1cc(SC)c(c(OC)c1)C(NC2(CN(C)CCC2)C3CCCCC3)=O	93
+C1CCCCC1C2(COC2)CNC	110
+C1CC(CCC1)OCC(CO)(C2CCCCC2)COC	6580
+C1CC(CCC1)C=2NS(=O)(=O)c3cc(NS(=O)(=O)C)ccc3N=2	6581
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+C1CC(CCC1)C=C(C(=O)O)c2cc(c(-n3nnnc3C)cc2)Cl	127
+C1CC(CCC1)CC(=O)Nc2c(ccc3nc(Cl)ccc23)C	26
+C1CC(CCC1)CC(=O)Nc2c3ccc(nc3ccc2Cl)Cl	33
+c1cc(ccc1OC(C(Nc2nc(cs2)CC(OCC)=O)=O)CC3CCCCC3)OC	3842
+C1CCCCC1CC(C(=O)Nc2nc(cs2)CC(=O)OCC)Br	290
+C1CC(CCC1)CC(CO)CCCC	21
+C1CCCCC1CC(CCCC)(C(=O)O)C(OCC)=O	3
+C1CC(CCC1)CC(C(=O)O)(C(=O)O)CCCC	3
+C1CC(CCC1)CC(CCCC)CC#N	300
+FC(F)(F)c1cccc(c1)-c2ccc(C(NC(CC3CCCCC3)C(NCCO)=O)=O)o2	1585
+CC(C)(C)OC(NC(Cc1[nH]cnc1)C(=O)NC(C(CCC(C)C)O)CC2CCCCC2)=O	9
+CC(C)(C)OC(=O)NCCNC(CC1CCCCC1)C(Nc2nccs2)=O	6582
+C1CC(CCC1)CCN2CCOc3ccc(cc3OCC2)-n4cncc4	61
+C1CCCCC1CCN2C3CCc4c(cccc4C3CC2)OC	28
+c1cc(ccc1N(N)CCC2CCCCC2)C	6583
+C1CC(CCC1)CCC(c2c(OC)cc(OC)cc2)=O	94
+C1CC(CCC1)CCC(c2ccc(cc2)OC)=O	94
+C1CC(CCC1)CCc2sc(nc2-c3c(cc(Cl)c(OC)c3)OC)NC(c4c(C)c5cc(ccc5n4CC(OC)=O)C)=O	2434
+C1CC(CCC1)CCc2c(nc(NC(=O)c3cc4cc(ccc4n3CC(=O)OC)OC)s2)-c5cc(OC)c(cc5OC)C	2434
+C1CCCCC1CCC(=O)Cl	130
+c1cc(ccc1)CC2COC(=O)N2C(=O)CCCCC3CCCCC3	1840
+C1CCCCC1CCCCc2nc3ccccc3[nH]2	442
+C1CCCCC1CCCCc2nc3ccccc3n2CCO	44
+C1CCCCC1CCCCc2n(c3c(cccc3)n2)CC(=O)OCC	1457
+O=S(=O)(C)OCCn1c(CCCCC2CCCCC2)nc3ccccc13	7
+C1CN(CCN1C(C(NC(N(CCC2CCCCC2)CCSC(=O)C)=O)C)=O)C	10
+C1CCCCC1CCN2CCC3C2CCc4c(cccc34)O	5
+C1CCCCC1CCN2C3C(CC2)c4cccc(OC(=O)N(C)C)c4CC3	2047
+C1CCCCC1CCNCc2cnc(-c3cc(C(N)=O)ccc3Cl)cc2	216
+C1CCCCC1CCNCc2cnc(-c3cc(ccc3Cl)C#N)cc2	119
+CC(C)(C)C(=O)Nc1cc([N+]([O-])=O)c(cc1)NCC2CCCCC2	60
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)-c3ccccc3)C(NCC4CCCCC4)=O	9
+C1CC(CCC1)CNC(c2ncccc2N)=O	81
+O=S(=O)(c1ccccc1)Nc2ccc(NCC3CCCCC3)c(c2)[N+]([O-])=O	60
+C1CC(CCC1)CNc2c([N+]([O-])=O)cc(cc2)NC(=O)OC	60
+C1CC(CCC1)CNC(CCn2c3c(cc(cc3)C)c4CN(C)CCc24)=O	9
+c1cc(ccc1)C(c2ccccc2)CCN3CCN(CC3)c4cccc(c4)C(=O)NCC5CCCCC5	14
+c1cc(ccc1Cl)C(Nc2scc(n2)CC(=O)N3CCN(CC3)C(=O)CNCC4CCCCC4)=O	1229
+C1CCCCC1CN2C(=O)N(C(C(=C2N)N=O)=O)CC3CCCCC3	1882
+C1CC(CCC1)CN2c3cnc(C(=O)OC)c(O)c3C=C(C2=O)Br	3843
+C1CCCCC1CN2C(C(=O)OCC)CC(NC(c3c(O)c4c(cccc4)cc3)=O)C2	27
+C1CCC(C1)CN2C(C(OC)=O)CC(N)C2	6584
+C1CC(CCC1)CN2C(CC(NC(c3c(O)c4c(cccc4)cc3)=O)C2)C(=O)OC	14
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+CC(C)(C)OC(N1CCC(CC1)C(=O)OCC2CCCCC2)=O	27
+c1ccccc1CNc2nc(nc(OCC3CCCCC3)c2)N	145
+C1CCCCC1Cc2c(-c3ccc(cc3)OC)nc(NC(c4ccc(OC)c(OC)c4)=O)s2	548
+C1CCCCC1Cc2cn(nn2)C3C4OCC(N)C4OC3	18
+C1CCCCC1Cc2cn(C3COC4C3OCC4NC(c5occc5)=O)nn2	1619
+C1CCCCC1Cc2cn(nn2)C3C4C(C(NC(c5ccccc5)=O)CO4)OC3	14
+C1CC(CCC1)Cc2noc(C=Cc3ccc(c(O)c3)O)n2	5
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+C1CCCCC1Cn2cc(c3c2c(ccc3)Cl)C(=O)N	393
+C1CCCCC1Cn2c3c(Cl)cccc3c(c2)C(NN)=O	1325
+C1CC(CCC1)Cn2cc(c3c2c(ccc3)Cl)-c4scc(n4)CCl	6587
+C1CC(CCC1)Cn2c3cc(c(F)cc3nc2-c4c(OCc5ccc(cc5)OCC(OC)=O)cc(Cl)cc4)F	22
+C1CCCCC1Cn2c3c(cccc3c(c2)C(=S)N)Cl	2547
+FC(F)(F)C(=O)c1c2c(c(Cl)ccc2)n(CC3CCCCC3)c1	531
+CC(C)(C)OC(C(C)(C)Oc1cccc(CC(NC2CCCCC2)=O)c1)=O	9
+CC(C)(C)OC(N1CCN(CC1)c2nc(c(-c3ccccc3)c(c2)C(N)=O)-c4ccnc(NC5CCCCC5)c4)=O	182
+CC(C)(C)OC(N1CCN(CC1)c2nc(-c3cc(NC4CCCCC4)ncc3)c(-c5ccc(cc5)F)cc2)=O	70
+CC(C)(C)OC(N1CCN(CC1)c2nc(ccc2)-c3ccnc(NC4CCCCC4)c3)=O	70
+CC(C)(C)OC(=O)NC(CN1C(C)(C)CN(C(=O)C1)c2c(C)cccc2)C(O)CC(C(NC3CCCCC3)=O)C	248
+CC(C)(C)[Si](C)(C)OCCCCCCNC1CCCCC1	132
+CC(C)C(C(=O)NC1CCCCC1)NC(CCCCCCCCCCC)=O	9
+C1CCCCC1NCC(C)C	110
+C1CC(CCC1)NC=C(C(=O)OCC)C(c2ccc(cc2Cl)I)=O	2018
+C[Si](C)(C)CCOCn1ccc2c(c(Br)cnc12)NC3CCCCC3	2048
+C1CC(CCC1)NCCNc2cc(C)nc3n(c(nc23)C)-c4c(C)cc(cc4C)C	284
+C1CC(CCC1)Nc2ccc(C#N)cc2[N+](=O)[O-]	205
+C1CCCCC1NC(=O)Cn2c3CCN(Cc3c4cc(ccc24)Cl)C	271
+C1CC(CCC1)Nc2c(cc(cc2)Cl)[N+](=O)[O-]	205
+FC(F)(F)CCC(=O)NC1CCCCC1	9
+FC(F)(F)Oc1ccccc1-c2cc(c(n2CC3OCCC3)C)C(=O)NC4CCCCC4	56
+FC(F)(F)c1cc(c(NC2CCCCC2)cc1)[N+](=O)[O-]	205
+C1CCCCC1NC(Nc2c(S(=O)(=O)F)cccc2)=O	282
+C1CC(CCC1)NS(=O)(=O)c2ccc(C)c3ccccc23	71
+O=S(=O)(NC1CCCCC1)c2c(Cl)ccc(Br)c2	71
+O=S(=O)(NC1CCCCC1)c2cc(C(=O)C)ccc2	71
+C1CC(CCC1)NS(=O)(=O)c2cc(C(O)=O)c3c(c2)OCCO3	71
+C1CC(CCC1)Nc2c3nc[nH]c3nc(Cl)n2	516
+C1CCCCC1Nc2ncc(cc2)[N+](=O)[O-]	70
+C1CCCCC1Nc2c3cnn(CC)c3ncc2C(OCC)=O	1594
+C1CCCCC1Nc2nc(Cl)cnc2	464
+C1CC(CCC1)NC(c2ccc(nc2Cl)Cl)=O	56
+c1cc(ccc1-c2cc3c(ncnc3NC4CCCCC4)cc2)F	40
+c1cc(ccc1CN2C(=O)C(=C(O)c3c2cccc3)C(NC4CCCCC4)=O)F	1112
+C1CCCCC1NC(C2=C(c3c(N(Cc4ccc(cc4)F)C2=O)ccc(C)c3)O)=O	1112
+C1CC(CCC1)NC(=S)Nc2ccc(cc2)Cl	1167
+c1cc(ccc1)-c2c(c(ccc2)NC3CCCCC3)C#N	60
+C1CCCCC1NC(=O)C=2C(N(c3c(C=2O)cc(Cl)cc3)Cc4ccccc4)=O	1112
+C1CCCCC1NC2CCCc3c2[nH]c4ccc(cc34)C(NCc5ccccc5)=O	2049
+c1ccccc1COC(=O)c2cc(c(C#N)cc2)NC3CCCCC3	250
+C1CC(CCC1)N(C)C(CCNCc2cc(ccc2[N+](=O)[O-])C(=O)c3ccccc3)=O	42
+C1CCCCC1N(C(=O)CCN)C	3844
+C1CCCCC1N(C(n2cnc(-c3ccc[n+](c3)[O-])c2)=O)C	103
+C1CCCCC1N(c2ccc(B3OCC(CO3)(C)C)cc2[N+](=O)[O-])CC(C)C	6588
+C1CCCCC1N(S(=O)(=O)CCN2C(N)=Nc3c(cc(cc3)C(c4ccccc4)=O)C2)C	2637
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+CC(C)OC1CC=C(c2onc(C(NC3=C(N(N(C4CCCCC4)C3=O)C)C)=O)c2C)CC1	2629
+C1CC(CCC1)N2N(C(C)=C(NC(=O)c3c(c(Br)on3)C)C2=O)C	2629
+C1CC(CCC1)N2CCC(Cc3c(Cl)cc(cc3)Br)C2=O	1554
+C1CC(CCC1)N2N(C)C(C)=CC2=O	3845
+C1CCCCC1N2C=C(C(=O)N)C(c3cnc(nc23)NCCCn4ccnc4)=O	6589
+C1CCCCC1N2CCN(CC2)C(C=C(C)N)=O	6590
+C1CCCCC1N2C(=O)C(N)=C(N2C)C	3846
+C1CCCCC1NC(C2(C(=O)NCCC2)COc3cccc(N)c3C#N)=O	623
+c1ccccc1CN2c3ccc(Cl)cc3C(=C(C2=O)C#N)Cl	2050
+C1CCCCC1NC(=O)C2(COc3cccc(N)c3C(NO)=N)C(=O)NCCC2	181
+C1CCCCC1NC(=O)C2(C(=O)NCCC2)COc3cccc(c3C#N)F	57
+c1c(ccc2c1C(Cl)=C(C#N)C(=O)N2C)F	2050
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+C1CC(CCC1)N(CC(C)O)C	113
+FC(F)(F)C(N(C1CCCCC1)Cc2cnc(cc2)Cl)=O	520
+O=S(=O)(NC1CCCCC1)c2cccc(C(CBr)O)c2	74
+C1CC(CCC1)Nc2c3c(n(CC)nc3)ncc2C=O	3765
+C1CCCCC1Nc2c3c(n(CC)nc3)ncc2C(=O)N(C)OC	1012
+C1CCCCC1Nc2c3cnn(CC)c3ncc2C(O)=O	6
+C1CC(CCC1)Nc2cncc(-n3c(C)cc(C)n3)n2	6591
+C1CC(CCC1)N(c2ccc(cn2)[N+]([O-])=O)C	1347
+C1CCCCC1Oc2ccc3c(ccc(CN4CCC(CC4)C(=O)OCC)n3)c2	419
+C1CC(CCC1)Oc2nc(CN3CCN(CC3)S(=O)(=O)c4ccc(cc4)OC)nc5ccccc25	6592
+CC(C)(C)OC(=O)N1CC(COc2c(OC3CCCCC3)cccc2)CCC1	419
+C1CCCCC1OC(C2CCC3C2(C)CC(NCCC(C)C)C4C5(CC(O)C(O)CC5CCC34)C)=O	2630
+C[Si](C)(C)CCOCn1cc(c2nc(cnc12)OC3CCCCC3)C(=O)NC(C(C)(C)C)C(N4CCC(CC4)C#N)=O	6593
+C1CC(CCC1)Oc2cccc(N)c2C#N	57
+C1CCCCC1Oc2cc(ccc2C=CC(=O)OCC)OCCOC	419
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+C1CCCCC1Oc2c([N+](=O)[O-])cccc2	57
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+C1CCCCC1Oc2ccc(nc2)Cl	1346
+C1CC(CCC1)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	1117
+C1CCCCC1Oc2ccc(Br)cn2	91
+C1CCCCC1OCCSc2nn3c(cc(nc3n2)C)C	2425
+C1CC(CCC1)ON=C(C(=O)CCl)C(OCC)=O	969
+C1CC(CCC1)Oc2ccccc2N	0
+C1CC(CCC1)Oc2c(CCC(=O)OCC)ccc(c2)OCCOC	159
+C1CCCCC1Oc2ncc(cc2)-c3c(N)ncc(F)c3	1168
+C1CCCCC1Oc2ccc(B(O)O)cn2	2639
+C1CCCCC1Oc2ccc(CN)nc2	421
+FC(F)(F)C(N1CCc2ccc(c(NCc3ncc(cc3)OC4CCCCC4)c2CC1)Cl)=O	1627
+C1CCCCC1Oc2ccc(cc2)-c3cc(nnc3CCCC)Cl	218
+C1CCCCC1Oc2ccc(cc2)-c3c(CCCC)nnc(OCC4C(CCN(C4)C)O)c3	113
+CC(C)(C)OC(=O)N1CCC(OCOC)C(C1)COc2nnc(CCCC)c(-c3ccc(cc3)OC4CCCCC4)c2	485
+C1CCCCC1Oc2ccc(C#N)nc2	1958
+C1CCCCC1Oc2ccc3c(ccc(CN4CCC(CC4)C(=O)O)n3)c2	3
+C1CCCCC1S(=O)(=O)NCCc2cc(cc(CCC(OCC)=O)c2)Cc3cccnc3	111
+O=S(=O)(c1c(C=O)cccc1)C2CCCCC2	720
+C1CC(CCC1)c2nc(C)cn2-c3c([N+]([O-])=O)ccc(F)c3	431
+C1CC(CCC1)c2n(CC)c3ccc(cc3c2)[N+]([O-])=O	557
+CC1(C)C(C)(C)OB(O1)c2cnc3[nH]c(cc3c2)C4CCCCC4	234
+C1CC(CCC1)c2c3ccc(cc3n(CCC(=O)OC)c2Br)C(=O)OC	167
+C1CC(CCC1)c2c(N=C=O)cccc2	6594
+C1CC(CCC1)c2c(-c3c(C)cnc(Nc4cc(ccc4)NCCN(CC)CC)n3)sc(SC)c2C#N	601
+C1CCCCC1c2c(c(sc2-c3c(cnc(n3)Nc4cc(ccc4)N)C)SC)C#N	0
+CC(C)(C)[Si](C)(C)Oc1c(cc(Br)cc1)C2CCCCC2	154
+c1cc(ccc1NCC(COc2c(C3CCCCC3)cccc2)O)N4C(NCC4)=O	843
+C1CN(CCO1)C(Cn2c(Br)c(c3c2cc(cc3)C(OC)=O)C4CCCCC4)=O	10
+C1CC(CCC1)c2c3ccc(C(OC)=O)cc3[nH]c2-c4ccccc4CCOC5CCCCO5	2549
+C1CCCCC1c2cc(c(cc2)C(CCC(O)=O)O)OC	74
+C1CCCCC1c2cc(OC)c(CCO)cc2Cl	95
+C1CC(CCC1)c2cc(c(cc2)CCCC(=O)O)OC	414
+c1cc(ccc1)C(C)(c2c(ccc(C3CCCCC3)c2)O)O	3847
+C1CCCCC1c2ccc3nc(c(n3c2)-c4nc(c(s4)C(O)=O)-c5ccccc5)C	6
+C1CCCCC1c2ccc3nc(C)c(-c4nc(-c5ccccc5)c(s4)C(N)=O)n3c2	1169
+C1CCCCC1c2nc(C)cn2-c3cc(-n4c(C5CCCCC5)nc(C)c4)c(cc3)N	0
+C1CC(CCC1)c2sc(c(C)n2)C(O)=O	6
+C1CCCCC1c2nc(cn2-c3ccc4nnc5c(nc(n5c4c3)C6CCCCC6)C)C	2051
+C1CCCCC1c2oc(c(C(O)=O)n2)C	1
+C1CC(CCC1)c2sc(N=C=O)nn2	6595
+C1CC(CCC1)c2sc(nn2)N3C(=O)N(C)NC3	2640
+C1CCCCC1n2c(CCCOc3ccc4c(ccc(O)n4)c3)nnn2	72
+C1CCCCC1n2ncc(c2-c3ccc(cc3)F)-c4scc(CC(O)=O)n4	3
+C1CCCCCCCCCC(CCCC1)=C	6596
+C1CC(CCCC1)(Cn2c(C#N)ccc2C)O	6597
+CC(C)(C)OC(C=Cc1ccc(cc1)C(c2ccc(cc2)O)=C3CCCCCC3)=O	233
+c1cc(ccc1C(c2ccc(cc2)-c3cocc3)=C4CCCCCC4)O	1628
+C1CC(CCCC1)CO	647
+c1ccccc1COc2c(cc(cc2)Nc3nc(Cl)nc(n3)NC4CCCCCC4)Cl	387
+C1CCCCCC=2C(=O)N3C(C=C(C(=O)Nc4sc(C)cn4)C=C3)=NC1=2	6598
+C1CCCCCC=2C(=O)N3C(C=C(C(O)=O)C=C3)=NC1=2	127
+C1CCC(CCCC1)=NO	350
+C1CCCCCCC1NC(=O)N2CCN(CC2)c3ccnc4cc(Cl)ccc34	2041
+C1CCCCCCCCCCC1C(C)COCC	3848
+c1ccccc1CCCC2CCCCCCCCCCC2	460
+C1CCC(CCCCCCCCCCC1)CO	3559
+C1CCCN(CC1)CCC2CCCc3n(ncc23)-c4ccccc4	15
+O=S(=O)(C)OCCCCc1ccc(cc1)OCCCN2CCCCCC2	7
+C1CCCCCN1CCN2CCC(CC2)NC(c3[nH]c4cccc(OCc5cocc5)c4c3)=O	81
+C1CCCCN1C(CN2C=3N(C=C2)C(C(OCc4ccccc4)=C(N=3)C(=O)O)=O)=O	127
+c1cc(ccc1-c2occ(CCN3CCCCC3)n2)OCCN4CCCC4C	15
+C1CCCCN1CC2CCCCC2	15
+C1CCCCN1C(C2CCc3c2nc(s3)-c4ccc(cc4)OCCCN5CCCC5C)=O	53
+C1CCCCN1C(CN2C=CN3C(=O)C(=C(c4ncc(o4)Cc5ccc(cc5)F)N=C23)O)=O	3849
+c1cc(ccc1CC(CNC(C2=C(OCc3ccccc3)C(N4C=CN(CC(=O)N5CCCCC5)C4=N2)=O)=O)=O)F	6599
+C1CCCCN1C(=O)CN2C=3N(C(=O)C(OCc4ccccc4)=C(N=3)C(=O)OC)C=C2	3850
+C1CCCCN1C2Cc3cc(ccc3C2)O	5
+C1CCCCN1C2Cc3cc(Oc4ncc(cc4)C(=O)NC)ccc3C2	136
+c1cc(ccc1OC(C)(C)CN2CCCCC2)[N+]([O-])=O	57
+c1cc(ccc1OCCCN2CCCC2C)N3C(CCC3=O)CN4CCCCC4	883
+C1CCCCN1CCC=O	378
+C1CN(CCC1)CCC(=O)N2c3cc[nH]c3CCCC2	2052
+c1ccccc1CN(CCC(C#N)(c2c(cccc2)Cl)CCN3CCCCC3)C(C)C	3851
+C1CCCCN1CCC(N)C#N	2519
+C1CCCCN1CCCCCn2c3c(nc2OC)c(nc(n3)OC(C)CC)N	3852
+C1CN(CCC1)CCCOc2c(cc(Br)cc2)F	72
+c1cc(ccc1Cl)CNC(=O)C2=CN(CCCN3CCCCC3)c4c(cc(C#CCO)cc4)C2=O	6600
+C1CN(CCC1)CCCOc2ccc(cc2)I	72
+c1cc(ccc1OC)Nc2nc3c(cc(C(OCC)=O)nc3)n2CCCN4CCCCC4	3581
+C1CN(CCC1)CCCN2C=CC(=CC2=O)c3cc4nccn4nc3	6601
+C1CCCCN1CCCNC(=S)NNC(c2c(OCC)cc(cc2)[N+]([O-])=O)=O	3853
+C1CN(CCC1)CCCNC(NNC(c2ccc(cc2)NC(=O)c3c(cccc3)F)=O)=S	3853
+C1CCCCN1CCCNc2nnc(-c3c(cc([N+](=O)[O-])cc3)OCC)o2	6602
+c1cnccc1NC(c2cc(Nc3cc(C(NCCCN4CCCCC4)=O)ccc3)ccc2)=O	230
+C1CN(CCC1)CCCNc2c(ccc(n2)NCCCC)[N+](=O)[O-]	70
+c1cc(ccc1OC)Nc2nc3ccc(nc3n2CCCN4CCCCC4)Br	6603
+C1CCCCN1CCCNc2c(ccc(Br)n2)N	13
+C1CN(CCC1)CCCOc2ccc3nc(C(=O)OCC)ccc3c2	126
+C1CCCCN1CCCOc2cc(C#Cc3ccc(cc3)Cl)cc(Sc4ccc(OCC(OCC)=O)c(Cl)c4)c2	126
+C1CCCCN1CCCOc2cc(C#Cc3ccc(cc3)Cl)cc(Sc4cc(Cl)c(OCC(=O)O)cc4)c2	3
+C1CN(CCC1)CCNC(=O)c2ccc(cc2NCC)Cl	14
+FC(F)(F)c1cccc(Oc2cc(ccc2)CNCCN3CCCCC3)c1	42
+C1CN(CCC1)CCNC(c2ccc(Cl)nc2NCC)=O	56
+c1ccccc1-c2ccc(cc2)C(=O)Nc3ccsc3C(NCCN4CCCCC4)=O	227
+C1CN(CCN1c2c(cc(cc2F)OCCN3CCCCC3)F)C(C)=O	20
+C1CCCCN1CCOc2cc(N)c([N+](=O)[O-])cc2F	57
+c1cc(ccc1C)S(=O)(=O)NCCc2c(OCCN3CCCCC3)cccc2	20
+C1CN(CCC1)CCOc2ccccc2CCNS(=O)(=O)c3ccc(cc3)Oc4ccc(cc4)F	126
+C1CN(CCC1)CCOCC(=O)CC(=O)OCCCc2ccccc2	3303
+C1CN(CCC1)CCOc2ccc(cc2F)C(Nc3cc(ccc3-c4nc5ccccc5s4)OC)=O	6604
+C1CCCCN1CCOc2c3ccc(nc3c(cc2)Cl)Cl	532
+C1CCCCN1CCOc2cc(N)c(N)cc2F	0
+c1cc(ccc1)C=CC(=O)Nc2cc(OCCN3CCCCC3)ccc2Cl	324
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)CN6CC(F)(F)CC6	48
+C1CCCCN1N2C(=O)c3c(CC2)n(c(c3C)-c4ccc(cc4)C=CCCC)-c5ccc(Cl)cc5Cl	2053
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)CCCCC	374
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)C=O	1072
+FC(F)(F)CCCS(=O)(=O)Oc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C	444
+O=S(=O)(CC)Oc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C	444
+c1cc(ccc1OS(=O)(=O)c2cnccc2)-n3c(c(nc3-c4c(Cl)cc(cc4)Cl)C(NN5CCCCC5)=O)C	3854
+CC(C)(C)OC(COCc1c(Cl)ccc(c1)S(=O)(=O)N2CCCCC2)=O	337
+C1CN(CCC1)S(=O)(=O)c2ccc(c(COCC(=O)N3CCCC3)c2)Cl	10
+C1CN(CCC1)c2cc(-n3ccnc3)ccc2NC(c4oc(C#N)cc4)=O	1129
+FC(F)(F)c1cccc(c1)COc2ncnc(-c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c2	145
+FC(F)(F)c1cc(ccc1)Nc2cc(ncn2)-c3cc(N4CCCCC4)ccc3[N+](=O)[O-]	73
+FC(F)(F)c1cccc(Oc2cc(ncn2)-c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c1	185
+FC(F)(F)c1cccc(c1)CNc2ncnc(c2)-c3cc(N4CCCCC4)ccc3[N+](=O)[O-]	40
+C1CCCCN1c2c(N)ccc(c2)-n3ccnc3	0
+CC1(C)OB(OC1(C)C)c2cc(N3CCCCC3)ccc2[N+]([O-])=O	17
+C1CN(CCC1)c2ccc(c(C(Nc3ncc(-c4ccc(c(C)c4)C)nc3)=O)c2)N	0
+C1CN(CCC1)c2cc(NC)ccc2[N+](=O)[O-]	60
+C1CCCCN1c2cc(nc(N3CCCC3C)n2)N4CCN(c5c(C)cc(cn5)CO)CC4C	351
+C1CCCCN1c2nc(nc(C(O)=O)c2)-c3ccc(cc3)-c4ccccc4	1
+C1CCCCN1c2cc3c(nc(c(C(=O)N4CCCCC4)c3-c5ccc(cc5)F)C)cc2	211
+c1cc(ccc1F)-c2c3c(ccc(c3)N4CCCCC4)nc(C)c2C(=O)OC	1170
+C1CCCCN1c2ccc(cc2)C3(OC)OC3(C)C	2636
+CC(C)(C)n1nc(cc1-c2ccc(cc2)N3CCCCC3)C(OCC)=O	2054
+c1cc(ccc1C(C(C)(C)N2CCOCC2)=O)N3CCCCC3	1860
+C1CCCCN1c2ccc3c(c2)c(c(c(C)n3)C(Oc4ccccn4)C)-c5ccc(cc5)F	2055
+c1cc(ccc1OCc2c(nc3ccc(cc3c2-c4ccc(cc4)F)N5CCCCC5)C)Cl	20
+C1CN(CCC1)c2nc(cs2)C=O	1348
+C1CN(CCC1)c2nc(-c3ccc(cc3C)C)c(C(CCC)C(=O)OC)c(C)n2	198
+C1CN(CCC1)c2nc(c(c(-c3ccc(cc3)C)n2)C(CCC)C(OC)=O)Cl	198
+C1CCCCN1c2nc(-c3ccc(cc3)C)c(c(CC)n2)C(C(O)=O)CCC	4
+C1CCCCN1c2nc(c(c(n2)CC)C(C(OC)=O)CCC)O	27
+C1CCCCN1c2nc(c(C(CCC)C(=O)OC)c(n2)CC)-c3ccc(cc3)C	198
+C1CCCCN1c2nc(Cl)c(c(C)n2)C(CCC)C(OC)=O	64
+C1CCCCN1c2nc(c(c(Cl)n2)C(C(=O)OC)CCC)CC	64
+C1CCCCN1c2nc(CO)cs2	1171
+C1CCCCN1c2c(c(ncn2)CO)C	88
+C1CCCCCN1C(OC)=N	2641
+C1CCCN(CC1)C(c2csc(c2)C=3CCN(CC=3)C(C)=O)=O	2046
+C1CC(CCN1C(CN2CCCC2)=O)COc3cc4c(c(ncn4)Oc5cc6c(c[nH]c6cc5)C)cc3OC	224
+C1CCCN1CC(=O)N2c3c(SCC2)ccc([N+]([O-])=O)c3	224
+C1COC2(O1)CC(C(N3CCCC3)=O)NCC2	2642
+C1CCCN1CCCN2CCSc3cc([N+](=O)[O-])ccc23	53
+C1CCCN1C2CCc3ccc(cc3CC2)[N+]([O-])=O	85
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)C1)CC#CCN2CCCC2	1469
+c1cc(ccc1)OC(Nc2cc3n(cc(c3cc2)CN4CCCC4)Cc5c(cccc5Cl)Cl)=O	1015
+C1CCN(C1)CC(C(=O)c2cc(no2)-c3ccc(cc3)OC)C	6605
+C1CCCN1C(=O)C(C)(C)CCl	58
+CC(C)(C(N1CCCC1)=O)Sc2cc3sc(N)nc3cc2	10
+CC(C)(C)OC(N1CC(CC(C(=O)N2CCCC2)C1)N(C(c3n(c4c(cccc4)n3)CCCCOC)=O)CC(C)C)=O	10
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(Oc3ccc(N4CCCC4)cn3)ccc2	244
+CC(C)(C)OC(N1CCCC(C(=O)N2CCCC2)C1)=O	10
+CC(C)(C)OC(=O)Nc1nc(CN2CCCC2)ccc1	2019
+CC(C)(C)OC(N1CCN(CC1)C(C)(C)C(=O)N2CCCC2)=O	1857
+CC(C)(C)OC(N1Cc2cc(sc2CC1)CN3CCCC3)=O	6606
+CC(C)(C)OC(N1Cc2c(N3CCCC3)cnn2CC1)=O	6607
+CC(C)(C)OC(=O)NC(C(O)C)C(N1CCCC1)=O	10
+CC(C)(C)OC(Nc1cc(c(cc1[N+]([O-])=O)Cl)N2CCCC2)=O	202
+CC(C)(C)ON=C1C=C(Oc2ccc(OCCN3CCCC3)cc12)c4ncn5c(c4)ccc5	53
+CC(C)(C)[Si](C)(C)Oc1cccc(CN2CCCC2)c1F	48
+C1CCN(C1)C(C)(C)C#N	735
+CC1(C)CCCC(C)(C)N1c2nc(cc(Cl)n2)N3CCCC3	54
+CC1(C)OB(OC1(C)C)c2ccc(c(C#N)c2)N3CCCC3	34
+C1CCN(C1)CC(OCC)=O	303
+CN(C)c1ccnc(c1)CN(C)Cc2nc(cc(c2)O)-c3cc(ccn3)N4CCCC4	264
+C1CCN(C1)C(CC2C(=O)c3c(cc(OC)cc3)C2)=O	10
+C1CCN(C1)c2nc(OC)cc(n2)C(=O)OC	117
+C1CCCN1Cc2sc(cc2)-c3ccc4c(c3)-c5c(c(n(n5)C6CCCCO6)C)C(=O)N4CC	509
+c12c(cccc1)C(=O)N(C2=O)CCCCSc3cc(cc([N+](=O)[O-])c3)NC(N4CCCC4)=O	6608
+C1CCCN1c2cc(N)c(cc2)[N+]([O-])=O	202
+Clc1cc(cc(Cl)c1C(C(N2CCCC2)=O)c3ccc(cc3)Cl)N4N=CC(NC4=O)=O	58
+C1CCCN1c2cc(ncc2)-c3cc(cc(CN(C)Cc4ncccc4)n3)O	264
+C1CCCN1CC(CCCCC)=Cc2c(Cl)cc(Cl)cc2	3855
+C1CCCN1c2ccc(Cl)cc2C=O	34
+C1CCN(C1)c2nc3c(s2)C=Cc4cc(Cl)ccc4C3C5=CN(C(=O)NC5=O)C	2643
+C1CCCN1c2cc(nc(n2)Cl)Cl	54
+C1CCN(C1)c2cc(Cl)nnc2Cl	3760
+FC(F)(F)c1c(ccc(NC(=O)c2ccc(C)c(Br)c2)c1)CN3CCCC3	48
+FC(F)(F)c1cc(cc(c1)NC(CN2CCCC2)=O)C(Nc3cccc(c3)-c4n5c(cc(n5)-c6ccncc6)ncc4)=O	224
+FC(F)(F)c1ccc(c(CN(CC)C(CN2CCCC2)=O)c1)-c3cc(ccc3OC)CC(OCC)=O	224
+FC(F)(F)c1nc(c(C=CC(=O)NCc2cc(F)c(cc2)NS(=O)(=O)C)cc1)N3CCCC3	43
+FC(F)(F)c1nc(C(=O)N2CCCC2)c3CNCCn13	777
+FC(F)(F)c1nn(-c2ccc(cc2)CC(=O)N3CCCC3)c4c1CCCC4	10
+C1CCCN1C2(CCC3(CC2)OCCO3)C#N	735
+C1CCN(C1)CC(N2c3c(Sc4c2cc(cc4)C#N)cc(Cl)cc3)C	123
+C1CCCN1CCC#Cc2ccc(cc2)-c3cn4c(cc(C)cc4)n3	6609
+C1CCN(C1)CC2OCc3c(F)cc(S(=O)(=O)C)cc3O2	28
+O=S(=O)(CCCN1CCCC1)N2CCC(CC2)c3[nH]nc4c(cc(Br)cc34)C(=O)N	53
+C1CCN(C1)CC2CCN(CC2)C(CC3C(=O)NC=CN3S(=O)(=O)c4cc(C)c(Cl)cc4C)=O	123
+C1CCN(C1)c2c(c3c(cc(nc3s2)C)NS(=O)(=O)c4cc(ccc4)Cl)-c5cccc(OC)c5	1801
+C1CCN(C1)C2CCN(c3ccc(Br)cn3)C2	1499
+C1CCCN1c2ccc(S(=O)(=O)C)cc2C(=O)O	202
+C1CCCN1S(=O)(=O)c2cc(cc(Br)c2F)C(O)=O	92
+O=S1(=O)Nc2c3ncccc3c(N4CCCC4)cc2-c5ccccc15	1578
+C1CCN(C1)C(C(C)O)=O	2642
+C1CCN(C1)C(=O)c2ccc3c(c2)Oc4c(cccc4)C3=O	115
+C1CCCN1Cc2cc3ccn(CC#C)c3cc2	48
+C1CCCN1c2c(cnc(Cl)n2)I	54
+C1CCN(C1)c2c(c(C(C)=O)cc(c2C#N)Cl)OCC	560
+C1CCCN1C(=O)c2ccc3c(CCC3)c2OC	30
+C1CCCN1C(c2c3c(n(C)c2)cc([N+](=O)[O-])cc3)=O	211
+C1CCCN1C(=O)Nc2cccc([N+]([O-])=O)c2	326
+C1CCCN1c2nc(Cl)cc(C)c2[N+]([O-])=O	43
+C1CCCN1CC(c2cc(Br)ccc2)=O	676
+C1CCCN1Cc2cc(ccn2)C(OC)=O	1309
+c12c(cccc1)C3(c4c(cccc4)C2C3)CN5CCC(CC5)(O)c6cccnc6N7CCCC7	361
+C1c2ccccc2CC1N3CCCC3	85
+C1CCN(C1)Cc2nc(O)c3c(cc(Br)s3)n2	894
+C1CCCN1CCN2CCc3cc(Br)ccc3C2=O	61
+Cc1cc(cc(C)c1OCCCN2CCCC2)-c3nc(O)c4c(OC)cc(OC)cc4n3	28
+Clc1cc(cc(Cl)n1)N2CCCC2	264
+C1CCN(C1)Cc2cc(-c3nn4c(c(Nc5nc(N6C(CCC6)C)ccc5)c3)ncc4)ccc2	48
+C1CCN(C1)Cc2ccc3cc(ccc3n2)Br	596
+C1CCCN1CC(COc2cc3nccc(Oc4cc(c(cc4)NC(=O)Nc5sccn5)F)c3cc2C#N)O	170
+C1CCCN1c2nc(c3ccc(cc3n2)OC)O	549
+C1CCN(C1)CCCOc2c(cc(Br)cc2)F	53
+C1CCCN1c2nc(ccc2[N+]([O-])=O)Cl	43
+C1CCCN1C(Nc2cc(ncn2)Oc3ccc(cc3F)[N+]([O-])=O)=O	3856
+c1cc(ccc1)CCC2=CC(N(CCc3ccc(cc3)CN4CCCC4)C=C2)=O	131
+c1cc(ccc1)COc2c(C)c(c(nc2C)N3CCCC3)C	323
+C1CCN(C1)c2c(Cc3ccccc3)c(Cl)nc(n2)SC	54
+c1cc(ccc1)N2N=C(CC(=O)N3CCCC3)c4c(n(c5ccccc45)C)C2=O	10
+c1cc(ccc1)N2N(C(=C(C(OC)=O)C2=O)CN3CCCC3)C	2644
+C1CCN(C1)c2ccc(cc2)-c3c(ncn3-c4ccc(cc4)S(=O)(=O)C)Cl	34
+c1cc(ccc1N2CCCC2)-c3ccccc3	79
+C1CCCN1CC(Nc2ccc(cc2)Br)=O	224
+C1CCCN1C(=O)COc2ccc(cc2)Br	10
+C1CCN(C1)C(c2ccc(cc2)C3(SC(=NC(c4ccc(cc4)F)C)NC3=O)C)=O	115
+C1CCCN1c2ccc(cc2)C(=O)Cc3c(ccc(-c4sccc4)c3)OC	34
+C1CCN(C1)C(=O)c2ccc(cc2)I	30
+C1CCN(C1)Cc2ccc(cc2)C3(CC3)C#N	48
+C1CCCN1CCOc2ccc(cc2)CC3=C(C(Oc4c(c(ccc34)O)I)=O)c5c(Cl)cc(Cl)cc5	28
+C1CCN(C1)CCc2ccc(cc2)Br	236
+c1cc(ccc1COc2c(cc3N(C=C(C(=O)c3c2Cl)CN4CCCC4)CC)OCc5ccc(cc5)OC)OC	6610
+c1cc(ccc1[N+]([O-])=O)Cc2nc(C)c(CC(OC)=O)c(n2)N3CCCC3	54
+c1cc(ccc1Cl)Cn2c3ccccc3nc2CN4CCCC4	894
+C1CCN(C1)Cc2ccc(cc2)NC(=O)c3ccc(Cc4cc(cc5c4oc(C(C)C)c5)Cl)o3	48
+c1cc(ccc1Nc2ncnc(c2N)N3CCCC3)Cl	54
+C1CCN(C1)C(=O)c2ccc(cc2)Nc3nc(-c4cn[nH]c4-c5cc(ccc5)OCc6ccccc6)ccn3	30
+C1CCCN1C(=O)Cc2nc(oc2)-c3ccc(cc3)OCCCCl	10
+C1CCN(C1)CCCOc2ccc(cc2)Cc3c(NCCCCC)nc(N)nc3C	53
+c1cc(ccc1OCc2ccccn2)-c3nc(CCN4CCCC4)c(C)o3	123
+O=S(=O)(c1cc(nc(c1)N2CCCC2)Br)c3ccc(cc3)N	323
+C1CCCN1Cc2ccc(Br)cn2	315
+C1CCCN1c2ncc(cc2)Br	43
+C1CCN(C1)C2C(Cc3cc(c(cc3)Cl)Cl)c4cc(OC)ccc4CC2	85
+C1CCN(C1)c2nc3n(c(C)c(c3cn2)C(=O)NCc4c(cc(nc4O)C)C)C(C)c5ccccc5	117
+C1CCCN1CCCCc2c3c(n(c2C)COCc4ccccc4)c(nc(n3)CCCC)N	61
+c1ccccc1CON2C(=O)N(c3c(F)cc(cc3)F)c4c(cc(c(c4)N5CCCC5)F)C2=O	34
+C1CCN(C1)c2c(cc3c(N(C(N(OCc4ccccc4)C3=O)=O)CCF)c2)F	34
+c1ccccc1CON2C(=O)N(c3ccc(cc3F)F)c4c(cc(F)c(n4)N5CCCC5)C2=O	43
+C1CCN(C1)c2c3cc(c(cc3nc(c2)C)OCc4ccccc4)Br	264
+c1ccccc1COc2ccc3c(nc(C)cc3N4CCCC4)c2	264
+C1CCN(C1)CC=Cc2cc3c(c(Nc4cc(c(Sc5n(C)ccn5)cc4)Cl)c(cn3)C#N)cc2	3857
+C1CCN(C1)c2nn3c(cc(Br)cc3)n2	3858
+C1CCN(C1)c2c(c(nc(Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)n2)Cl)CC(OC)=O	54
+C1CCN(C1)c2ccc(cc2-c3nc(O)c4nccnc4n3)Br	34
+C1CCN(C1)c2nncc(c2)O	212
+C1CCCN1C(=O)C(C(O)C)NC(CN2CC3(CCCN3)C2=O)=O	679
+C1CCN(C1)CC(C)(C)CCl	15
+C1CCCN1C(=O)C(C(O)C)NC(CN2C(=O)C3(C2)CCCN3C(OCc4ccccc4)=O)=O	207
+c1cc(ccc1-c2cnc(nc2)N)OCC(N3CCCC3)=O	1629
+C1CCCN1C(=O)Cc2ccc(c(OC)c2)N	0
+C1CCN(C1)CCc2cc(c(cc2)N)OC	15
+C1CCCN1C(=O)Cc2nc(oc2)-c3ccc(cc3)OCCCN4CCCC4C	53
+C1CCN(C1)CCc2coc(-c3ccc(cc3)OCCCN4CCCC4C)n2	15
+C1CCCN1C(=O)Nc2ccc(cn2)N	13
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnc(cc2)NC(N3CCCC3)=O)F)CCC	660
+C1CCCN1C(Nc2cc(N)ccc2)=O	0
+C1CCN(C1)C(c2cscc2)C(=O)Nc3cc4c([nH]nc4I)cc3	33
+C1CCCN1C(C2CCCN(c3ccc4[nH]c(C5(CC5)c6cccnc6)nc4n3)C2)=O	3859
+C1CCCN1C(C2CCCN(c3ccc4c(n3)[nH]c(C(C)(C)n5ncc(Cl)c5)n4)C2)=O	3725
+FC(F)(F)c1nc(ccc1)-c2nc3ccc(N4CC(CCC4)C(N5CCCC5)=O)nc3[nH]2	3584
+C1CCCN1C(C2CN(c3ccc([N+](=O)[O-])c(n3)N)CCC2)=O	43
+C1CCCN1C(C2CCCN(C2)c3ccc(c(n3)N)N)=O	13
+C1CCCN1CCC2C(c3c(cc(cc3)OC)C2)O	15
+C1CCCN1CCc2cc(N)n(CC)n2	15
+C1CCN(C1)c2ccc(cc2C#N)-c3ccnc(n3)Nc4cc(NC(=O)N5CCCC5)ccc4	55
+c1ccccc1N2N(C(=C(C(=O)Nc3ccc(Oc4ncnc(NC(=O)N5CCCC5)c4)c(F)c3)C2=O)C)CC(C)(C)O	1349
+C1CCCN1C(Nc2cc(ncn2)Oc3c(cc(N)cc3)F)=O	0
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)-n3cc(C(N4CCCC4)=O)cn3	568
+C1CC2(OCCO2)CCC1(Cc3ccccc3)N4CCCC4	6611
+CC(C)(C)OC(=O)NCCOc1ccc2c(c1)C(C(N3CCCC3)CC2)Cc4cc(c(cc4)Cl)Cl	8
+C1CCCN1C2CCc3cc(N)ccc3CC2	0
+C1CCCN1C2Cc3c(ccc(Oc4ncc(nc4)C(=O)O)c3)C2	1
+C1CCCN1C2Cc3c(ccc(c3)Oc4cnc(cn4)C(NC)=O)C2	312
+C1CCCN1C2Cc3c(ccc(Oc4ncc(C(OC)=O)nc4)c3)C2	842
+C1CCCN1CCN2CCSc3c2cc([N+](=O)[O-])cc3	15
+c1cc(ccc1Br)NCCN2CCCC2	15
+C1CCCN1CC(OC(=O)C)COc2cc3ncnc(O)c3cc2OC	152
+C1CCCN1CC(OC(=O)C)COc2cc3ncnc(Cl)c3cc2OC	569
+C1CCN(C1)CC(NC)c2cccc(Br)c2	1607
+C1CCCN1CCC2C(=O)c3ccc(OC)cc3C2	155
+C1CCCN1CCCN2c3c(SCC2)cc(cc3)N	0
+C1CCCN1CCCN2CCSc3c2ccc(c3)NC(=N)c4sccc4	1139
+C1CCN(C1)CCCOc2ccc(Br)cn2	430
+C1CCCN1CCN2C(c3c(C)c([nH]c3CC2)C=C4c5cc(OC)ccc5NC4=O)=O	292
+C1CCCN1CCN2C(c3c(C)c(C=O)[nH]c3CC2)=O	413
+C1CCCN1CCN2C(c3ccc(-c4c(F)cc(cc4)C(OC)=O)cc3CC2)=O	11
+C1CCN(C1)CCN2C(=O)N(C)c3c2ccc(Br)c3	620
+C1CCN(C1)CCN(C)CCSC2CCC3(C)C(CCC4C5(CCC(c6ccoc6)C5(CCC34)C)O)C2	236
+O=S(=O)(c1ccc2NC(=O)C(c2c1)=Cc3c(C)c(C(=O)NCCN4CCCC4)c(C)[nH]3)Nc5cnccc5	292
+c1ccccc1-c2cc3C(=Cc4c(C)c(C(=O)NCCN5CCCC5)c(C)[nH]4)C(=O)Nc3cc2	292
+C1CCCN1CCN2CCc3c(C2=O)c(C)c[nH]3	1858
+C1CCCN1CCNc2ccc(cc2N)Br	0
+CC1(C)C(C)(C)OB(O1)c2cc(cc(c2)F)NCCN3CCCC3	17
+C1CCCN1CCN2c3ccc(cc3NC2=O)Br	1019
+c1c(C)nc(cc1-c2nc(c3c(OC)cc(cc3n2)OCCN4CCCC4)O)C	724
+C1CCN(C1)CCOc2cc3cc([N+](=O)[O-])cnc3cc2	126
+C1CCN(C1)CCOc2nc(nc(Cl)c2)-c3cnc4n3cc(F)cc4	145
+C1CCCN1CCSc2cccc(c2)Nc3nnc4c(c(cc(c4)-c5c(ccc(OC)c5)Cl)C)n3	490
+C1CCCN1CCSc2cccc(c2)Nc3nnc4c(c(cc(c4)-c5c(Cl)ccc(O)c5)C)n3	5
+C1CCCN1CCc2c3c([nH]c2)ccc(c3)NC(=N)c4sccc4	1139
+C1CCCN1CCc2cc(C=O)[nH]c2	178
+C1CCCN1CCc2c[nH]c(CO)c2	194
+C1CCCN1CCc2c3c([nH]c2)ccc(N)c3	3860
+C1CCN(C1)CCc2cc(n(CC)n2)Nc3cc(Nc4c(cccc4)C(=O)NC)c(Cl)cn3	346
+C1CCCN1CCn2cc(-c3cc4nccc(Oc5ccc(N)cc5F)c4s3)nn2	0
+C1CCN(C1)CC2NCCC(C(=O)OC)C2	3861
+C1CCCN1Cc2cc3ccn(CC#Cc4ncc(Br)cc4)c3cc2	769
+C1CCN(C1)Cc2ccc3c(ccn3CC#Cc4ncc(cc4)-c5ccc(cc5)Cl)c2	2056
+c1cc(ccc1)-c2nc(C(=O)Nc3ccccc3-c4sc5ncc(cc5n4)CN6CCCC6)sc2	6612
+C1CCCN1Cc2cc3c(sc(-c4c(NC(c5c(C)oc(-c6ccccc6)n5)=O)cccc4)n3)nc2	3862
+FC(F)(F)Sc1ccc(cc1)N2C(=O)N(Cc3ccnc(Nc4cnc(CN5CCCC5)cc4)c3)C(C)(C)C2=O	2645
+C1CCCN1Cc2cc3nc(-c4c(cccc4)N)sc3nc2	0
+C1CCCN1Cc2sc(cc2)-c3ccc4c(c3)-c5n[nH]c(c5C(N4CC)=O)C	747
+O=S(=O)(N1CCCC1)Nc2c(c(C(c3c4c(ncc(F)c4I)[nH]c3)=O)c(cc2)F)F	1630
+C1CCCN1c2c(c(nc(n2)Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)C)CC(O)=O	4
+C1CCN(C1)c2cccc3c(cccc23)O	5
+C1CCCN1c2cc(nc3cc(OCC(OCC)=O)ccc23)C	52
+c1cc(ccc1C)S(=O)(=O)OCCOc2ccc3c(nc(C)cc3N4CCCC4)c2	36
+c1ccccc1C(=O)Nc2c([N+](=O)[O-])ccc(N3CCCC3)c2	50
+C1CCCN1c2ccc(N)c(c2)[N+](=O)[O-]	106
+C1CCCN1c2cc(C)nc3cc(OCCO)ccc23	44
+C1CCN(C1)c2cc(SC)c(cc2)C#N	972
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cc(ccc2N3CCCC3)Cl	48
+CC(C)(C)OC(Nc1ccc(N2CCCC2)cc1[N+]([O-])=O)=O	150
+n1c(OC)cc(nc1Oc2c(C(=O)OC)nc(cc2)N3CCCC3)OC	3863
+O=S(=O)(NCC1CC1)c2ccc(N3CCCC3)c(c2)C(O)=O	6613
+C1CCN(C1)c2cc(C=C3NC(NC3=O)=O)c([N+]([O-])=O)cc2	3864
+C1CCCN1c2cc([N+](=O)[O-])c(NC(C)=O)cc2	77
+C[Si](C)(C)C#Cc1nc(N2CCCC2)ccc1	961
+C1CCCN1c2ccccc2CC(N3CC4C(C3)CC(CC4(O)c5ccccc5F)COS(=O)(=O)c6ccc(cc6)C)=O	36
+FC(F)(F)c1nc2n(c1C)nc(C#Cc3nn(C)c(N4CCCC4)n3)cc2	2353
+C1CCCN1c2ccc(O)c(C(=O)OC)n2	321
+C1CCN(C1)c2nc(N3CCc4ncccc4C3)cc(C)c2[N+](=O)[O-]	43
+CCN(CC)c1nc(cc(NCCN)n1)N2CCCC2	40
+C1CCN(C1)c2nc(N3CCCC3)c4c(n(CCO)c5ccccc45)n2	6614
+C1CCCN1c2nc3c(c(Cl)n2)ccc(OC)c3	64
+C1CCCN1c2nc(ccc2[N+]([O-])=O)NCc3ccc4OCOc4c3	70
+C1CCCN1c2nc(ccc2[N+]([O-])=O)NCc3ccc(cc3)F	70
+c1cc(ccc1CNc2ccc(N)c(n2)N3CCCC3)F	13
+CC(C)(C)CC(Nc1c(N2CCCC2)nc(cc1)NCc3ccc4OCOc4c3)=O	3865
+C1CCN(C1)c2ncc(-c3cc(ccc3)NC(Nc4ccc(cc4)Cl)=O)cc2	89
+C1CN(CCO1)C(c2c(n(C)nc2)C(=O)Nc3cc4n(nc(N5CCCC5)n4)cc3)=O	1020
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)O)n2	6
+CC(C)(C)OC(N1CCC(c2cc(cs2)C(N3CCCCCC3)=O)=CC1)=O	3866
+C1CN(CCCC1)Cc2cc(cs2)-c3cc4c(c(c3)C(=O)N)[nH]cc4C5CC(C)(C)S(=O)(=O)CC5	509
+C1CCCN(CC1)C#N	739
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3CCCCCC3	28
+C1CCCCCN1C(=O)CC2CCCc3n(ncc23)-c4ccccc4	10
+c1cc(ccc1)-c2nc(C)c(C(CCC)C(=O)OC)c(n2)N3CCCCCC3	54
+c1cc(ccc1)-n2c3c(cccc3)c(C=O)c2N4CCCCCC4	2646
+c1cc(ccc1)COC(=O)N2CCCCC(N)C2	613
+n1c(N2CCCCNCC2)oc3c1cc(C)cc3C	2647
+FC(F)(F)Oc1ccc(cc1)-c2n(CC3OCCCC3)c(C)c(C(NN4CCCCC4)=O)n2	541
+C1CCCOC1CCO	237
+O=S(=O)(C)OCCC1CCCCO1	7
+C1CCCOC1CCN2c3c(c(nc(n3)NCCCC)N)NC2=O	1604
+c1cc(ccc1-c2n3c(ccn3)nc4CCCCCc24)OCc5ccccc5	2057
+c12ccccc1CCCC=C2C	252
+C(OC(=O)Cn1ncc(-c2cccc3N(C(=O)CCCO)CCCc23)c1)C	320
+FC(F)(F)c1nc(nc(C2=NOC(N2C(N3CCCC3)=O)=O)c1)C(C)C	6615
+FC(F)(F)c1nn(c2CCOCc12)-c3ccc(cc3)C(=O)N4CCCC4	568
+C1CCN(C1)Cc2ccc(cc2)Nc3nc(-c4cn[nH]c4-c5cc(ccc5)OCc6ccccc6)ccn3	162
+CC(C)(C)[Si](C)(C)OC(C(N1CCCC1)=O)C	1952
+CC(C)(C(c1ccccc1)N)N2CCCC2	3867
+C1CCCN1C(CC2C(O)c3c(cc(cc3)OC)C2)=O	74
+c1ccccc1-c2c(c3c(nn(CC(N4CCCC4)=O)c3nn2)I)Cl	3456
+C1COCCC1N(C)c2ccc(cc2)-c3n[nH]c4c3cc(cc4)NC(=O)C(c5cscc5)N6CCCC6	1016
+c1cc(ccc1C(CC2CSCCC2=O)=O)Cl	6616
+C1CCCN1C2CCc3ccc(cc3C2Cc4cc(c(cc4)Cl)Cl)O	5
+C1CCN(C1)C2CCCC3C2N(CCN3Cc4cnc[nH]4)C(Cc5ccc(c(c5)Cl)Cl)=O	879
+C1CCN(C1)C2CCN(c3ccc(cn3)N4C(=O)C=C(OCc5ccc(cn5)Cl)C=C4)C2	3868
+C1CCCN1C2Cc3cc(N)ccc3C2	0
+C1CCN(C1)CC#Cc2cc3-c4nn(C5CCCCO5)c(c4C(=O)N(c3cc2)CC)C	121
+C1CCN(C1)CC#Cc2ccc3c(-c4c(c(C)n[nH]4)C(=O)N3CC)c2	747
+C1CCCN1CCCc2ccc3N(CC)C(=O)c4c(C)[nH]nc4-c3c2	213
+C1CCN(C1)CC(N2c3cc(ccc3Sc4cc(Cl)ccc24)C(N)=S)C	1855
+C1CCN(C1)CC(N(C(=O)CN(C)c2ccc(c(c2)Cl)Cl)C)c3cccc(Br)c3	10
+C1CCN(C1)CC(OCCN(C)C)=O	6617
+C1CCN(C1)CCC(Nc2nc3c(cc(cc3)Sc4n5cccnc5nc4)s2)=O	373
+C1CCN(C1)CCCN2c3nc(ccc3C(N(c4ccccc24)C)=O)C	6618
+c1cc(ccc1OCCCN2CCCC2)-n3c(cc(n3)CC)CC	72
+c1cc(ccc1OCCCN2CCCC2)-c3c4ccccc4nc5CCCCc35	72
+c1cc(ccc1OCCCN2CCCC2)-n3c4ccccc4cc3CCOC	72
+C1CCCN1CCCNC(=O)c2c(c3c(C4c5ccccc5NC4=O)ncnn3c2)C	56
+OB(O)c1ccc(OCCCN2CCCC2)c(F)c1	422
+C1CCN(C1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4c(cc(cc4)[N+]([O-])=O)F	242
+C1CCN(C1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4c(cc(cc4)N)F	0
+C1CCN(C1)CCCOc2cc3c(cc2OC)c(ccn3)Cl	120
+CC1(C)OB(OC1(C)C)c2cnc(cc2)OCCCN3CCCC3	3869
+C1CCN(C1)CCCOc2ccc(c(OCCF)c2)N3C(c4cc(C(=O)OC)ccc4N=C3C)=O	3870
+C1CCN(C1)CCCOc2ccc(c(OCCF)c2)N3C(=O)c4cc(C(OCC)=O)ccc4N=C3C	807
+C1CN(CCN1CC2(CCOCC2)c3ccc(cc3)OCCCN4CCCC4)C	61
+O=S(=O)(C1C(C2(CCOCC2)c3ccc(cc3)OCCCN4CCCC4)OC=N1)c5ccc(cc5)C	6619
+c1cc(ccc1C2(CCOCC2)c3cnco3)OCCCN4CCCC4	6620
+CC(C)(C)OC(N1CCC(CC1)COCCN2CCCC2)=O	649
+C1CCCN1CCn2ncc3c2ccc(N4C=Cc5oc(-c6cccc(Cl)c6)cc5C4=O)c3	2058
+C1CCN(C1)CCOc2c(cc([N+](=O)[O-])cc2)Cl	72
+C1CCCN1CCSc2cccc(Br)c2	1107
+C1CCN(C1)CCOc2ccc(Br)cc2C=O	72
+C1CCCN1CCNc2cc(F)cc(Br)c2	1350
+C1CCN(C1)CCOc2ccc(cc2)I	72
+C1CCN(C1)CCOc2ccc(cc2)[N+]([O-])=O	72
+C1CCN(C1)CCOc2cc(ccc2)C(OC)=O	72
+C1CCCN1CCNc2nccc(Oc3ccc4c(C(NCCN5CCOCC5)=O)cccc4c3)n2	96
+C1CCN(C1)CCNCc2cncc(-c3n(C)c4c(ccc(c4)Cl)c3C#N)c2	249
+C1COC2(O1)CCC(CC2)NCCN3CCCC3	87
+C1CCCN1CCNC(=O)c2c(c(C=C3c4cc(F)ccc4NC3=O)[nH]c2C)C	56
+C1CCCN1CCNCCc2c(C(OCC)=O)c(C)c[nH]2	15
+C1CCN(C1)CCOc2c(CN)cc(cc2)Br	18
+C1CCN(C1)CCOc2ccc(Br)cc2CCl	109
+c1cc(ccc1-c2cc([nH]c2)C(=O)Nc3ccc(OCCN4CCCC4)c(c3)Cl)Cl	187
+C1CCN(C1)CCOc2c(Cl)cc(N)cc2	0
+C1CC(CCN1c2c3c([nH]cc3C)ncn2)NC(=O)c4cc(OCCN5CCCC5)ccc4	14
+C1CCN(C1)CCOc2cc(C(=O)O)ccc2	1
+C1CCN(C1)CCOc2ccc3ncc(N)cc3c2	13
+C1CCN(C1)CCOc2c(CO)cc(Br)cc2	41
+C1CCN(C1)CCOc2c(CN=[N+]=[N-])cc(cc2)Br	1298
+C[Si](C)(C)C#Cc1ccc(cc1)OCCN2CCCC2	311
+c1cc(ccc1OCCN2CCCC2)N	0
+C1CCN(C1)CCOc2nc(OC)c(NS(=O)(=O)c3ccc(cc3)CCCF)cc2	322
+CC(C)(C)OC(N1CCCC(Nc2nc(nc(OCCN3CCCC3)c2)-c4cnc5n4cc(F)cc5)C1)=O	40
+C1CCN(C1)CCc2ccc(N)c(C(O)=O)c2	1
+C1CCN(C1)CCc2cc(c(N)cc2)C(OC)=O	0
+C1CCN(C1)CCc2ccc(N)c(c2)C(=O)N	169
+C1CCN(C1)CCc2ccc3nc(nc(c3c2)O)-c4cc(C)nc(C)c4	748
+C1CN(CCN1c2c(C)cc(N)cc2CN3CCCC3)C	0
+C1CCN(C1)Cc2ccc(cc2)C3(CC3)C(O)=O	459
+C1CCN(C1)CC2Nc3ccc(cc3CC2)Br	2648
+CC(C)(C)OC(n1cc(-c2sc3c(nc(nc3O)CN4CCCC4)c2)c(C)n1)=O	6621
+c1cccn1-c2c(cc(cc2OCC)CN3CCC(CC3)Nc4nc5cccc(S(=O)(=O)N6CCCC6)c5o4)OCC	48
+O=S(=O)(C)c1nc(c(c(N2CCCC2)n1)Cc3ccccc3)Cl	737
+C1CCN(C1)c2c(c(cc(c2OCC)C(O)C)Cl)C#N	74
+C1CCCN1c2c(OCC)c(cc(Cl)c2C#N)C(n3c4ncnc(N)c4c(C)n3)C	2649
+C1CCN(C1)c2c(c(C(C)Cl)cc(Cl)c2C#N)OCC	525
+C1CCN(C1)c2nc(nc(Cl)c2CC(=O)O)Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O	4
+C1CCN(C1)c2cc3N(C(N(C(=O)c3cc2F)O)=O)CCF	2650
+C1CCN(C1)c2cc(nc3cc(O)c(Br)cc23)C	16
+C1CCCN1c2cc3cc4c(NC(N4)=O)nc3cc2	6622
+C1CCN(C1)c2cc(Cl)c(C(Nc3c(C=NC(C)CO)cccc3)=O)cc2	853
+C1CCN(C1)c2ccc(c(c2)Cl)C(=O)Nc3c(cccc3)CNC(CO)C	1172
+C1CCN(C1)c2cc(c(C(=O)N3CC(=O)N(Cc4c3cccc4)CCO)cc2)Cl	21
+C1CCN(C1)c2cc(NN)nnc2Cl	599
+C1CCN(C1)c2cc(nnc2Cl)NN=Cc3ccccc3	878
+C1CCN(C1)c2cc(c(C(N)=S)cc2)SC	6623
+C1CCN(C1)c2cc(c(C(=O)N3c4ccccc4CN(CCN5C(=O)c6c(C5=O)cccc6)C(C3)=O)cc2)Cl	332
+C1CCN(C1)c2cc(c(cc2)C(N3CC(N(CCN)Cc4c3cccc4)=O)=O)Cl	45
+C1CCN(C1)c2cc(c(cc2)C(=O)N3CC(=O)N(CCNC(=O)c4ccccc4)Cc5c3cccc5)Cl	93
+C1CCN(C1)c2c(nc(C(=O)N3CCSCC3)cc2)OCC4CC4	147
+CC(C)(C)OC(N(Cc1ccccc1NC(=O)c2ccc(N3CCCC3)cc2Cl)C(CO)C)=O	23
+CC(C)(C)[Si](C)(C)OCC(C)NCc1ccccc1NC(=O)c2c(cc(cc2)N3CCCC3)Cl	19
+c1cc(ccc1-n2c(-c3ccc(c(c3)Cl)N4CCCC4)c(nc2)Cl)S(=O)(=O)C	196
+C1CCN(C1)c2ccc(Br)cc2-c3nc4nccnc4c(Nc5ccncc5C)n3	3871
+C1CCCN1c2ccccc2CC(N3CC4C(CC(CO)CC4(c5c(cccc5)F)O)C3)=O	10
+C1CN(CCC1=Cc2cc(Oc3ccc(N4CCCC4)cn3)ccc2)C(=O)Nc5nnccc5	437
+C1CCN(C1)c2nc(n(C)n2)C#Cc3cc(OC)c4nc(C)c(n4n3)C	3872
+c1cc(ccc1N)S(=O)(=O)c2cc(CC)nc(c2)N3CCCC3	2651
+O=S(=O)(C)OCCn1c2nc(nc(c2c3ccccc13)N4CCCC4)N5CCCC5	7
+C1CCN(C1)c2nc(N3CCCC3)nc(N4CCN(CC4)CCCOc5c6c(ccc5)[nH]c(c6)C#N)c2	331
+C1CCN(C1)c2nc(N3CCc4ncccc4C3)cc(C)c2NC(=O)Cc5cc(F)cc(c5)F	3865
+FC(F)(F)Oc1c(cc(cc1)C(NC(=O)c2nc(nc(OC)c2)N3CCCC3)COC)F	81
+C1CCN(C1)c2nc(OC)cc(C(O)=O)n2	1
+C1CCCN1c2nc(C#Cc3ccc4n(c(C)c(C)n4)n3)ccc2	2353
+C1CCN(C1)c2nc3c(s2)C=Cc4cc(ccc4C3C5=CN(C)C(=O)NC5=S)Cl	3873
+CC(C)(C)OC(Nc1ccn2nc(nc2c1)N3CCCC3)=O	2652
+c1(cc(ncn1)N2CCOCCC2)NN	1021
+C1CC2N(c3c(cc(cn3)C(=O)OC)NC2=O)CC1	1530
+CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c2c(F)cc(Oc3c(cc(cc3)Cl)-c4cc(CN5CCC5)ncc4)c(F)c2	315
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(Br)cn2CCN3CCC3	123
+CC(C)(C)OC(=O)Nc1cc(ccc1)C(N2CCC2)=O	30
+CC(C)(C)OC(N1CCC(CC1)C(N2CCC2)=O)=O	10
+CC(C)(C)OC(NC(C(N1CCC1)=O)C(C)C)=O	10
+CC1(C)C(C)(C)OB(O1)c2cc(CN3CCC3)sc2	509
+C1CCN1C(=O)NCc2c(nccn2)Cl	6624
+C1CCN1c2c3c(nc(Cl)n2)nc(c(Cl)n3)Cl	1310
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4nc(CC(F)(F)F)cn4CCN5CCC5	123
+FC(F)(F)c1ccc(cc1)-c2c3c(cc(cc3)C#CCCCN4CCC4)sn2	123
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(c(OC)c3)C=4NOC(=O)N=4)c(n2)CCCN5CCC5	123
+C1N(CC1)C(c2ccc(c(c2)F)F)=O	30
+c1(F)cc(cc(F)c1CC(=O)N2CCC2)OCCC3C(C4CCN(CC4)c5ncc(cn5)OCC)C3	10
+C1CCN1c2ncc(cc2Cl)Oc3ccc(cc3C#N)S(=O)(=O)Nc4ncc(cc4)F	361
+C1CCN1CC2CC(C2)n3cc(c4c3ncnc4N)I	236
+C1CCN1C(=O)c2cc3c(s2)c(ccn3)Cl	867
+C1CCN1C(c2cc(c3OC(=CC(=O)c3c2)N4CCOCC4)C5CCCN5c6cc(F)cc(F)c6)=O	1997
+C1N(CC1)CCCCCn2c(nc3c(nc(nc23)OCCCC)N)OC	53
+C1CCN1C(c2c(n(C)nc2)C(=O)Nc3cc4nc(nn4cc3)-c5cccc(c5)OC)=O	1020
+C1CCN1C(c2c3c(C)cccc3c(Cl)nc2)=O	211
+c1c(F)c(c(cc1O)F)CC(=O)N2CCC2	10
+C1N(CC1)c2c3c(ccc([N+]([O-])=O)c3)nc(CCC)c2	264
+C1CN(CCN1C(c2ccccc2)=O)CC(=O)N3CCC3	10
+C1CCN1C(Cc2ccc(cc2)Br)=O	10
+C1N(CC1)C(=O)c2ccc(cc2)C(OC)=O	115
+C1CCN1C(=O)c2ccc(cc2)I	30
+C1CCN1C(=O)Cc2ccc(cc2)OCCC3C(C4CCN(CC4)c5onc(C(C)C)n5)C3	10
+C1CCN1c2ncc(S(=O)(=O)N3CCC=4C(Cc5c(n(nc5)-c6ccc(cc6)F)C=4)(COCC)C3)cc2	43
+c1ccccc1C(c2ccccc2)N3CC(C3)C(=O)N4CCC4	10
+c1ccccc1COc2ccc(CC(N3CCC3)=O)c(c2)C#N	10
+C1CCN1C(Oc2ccccc2)=O	66
+c1(F)cc(cc(F)c1CC(=O)N2CCC2)OCCC3C(C4CCN(CC4)c5ncc(cn5)COC)C3	10
+C1CCN1c2nn(c(n2)C=Cc3nn4c(C)cc(C)nc4n3)C	3520
+c1cc(ccc1CC(=O)N2CCC2)-c3c(cc4c(c(C=O)c[nH]4)c3)Cl	749
+C1CCN1c2n3ccnc(Cl)c3cn2	6625
+C1CCN1C(=O)c2cc(c(Oc3cc(OC(CO)C)cc(C(O)=O)c3)cc2)F	1
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(Oc2ccc(cc2F)C(=O)N3CCC3)cc(C(O)=O)c1)C	19
+C1CCN1C(c2sc3c(Oc4ccc5c(C(NC)=O)c(n(c5c4)CC)C)ccnc3c2)=O	680
+FC(F)(F)c1nn(-c2ccc(cc2)C(N3CCC3)=O)c4CN(CCc14)C	568
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(C(Nc4cnc(cn4)C)=O)cc(OC5COCC5)c3	1351
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(OC4CCOC4)cc(C(O)=O)c3	1
+C1CCN1C(=O)Cc2ccc(cc2)B3OCC(CO3)(C)C	734
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCOc4ccc(CC(N5CCC5)=O)c(C#N)c4)C3	126
+C1N(CC1)C=2SC3C(N=2)C(O)C(C(COC(=O)C)O3)OC(C)=O	59
+C1C(CC1n2c3c(c(c2)-c4ccc5ccc(nc5c4)-c6ccccc6)c(ncn3)N)CN7CCC7	3874
+CC(C)Oc1ncc(OCc2c(cc(C(=O)NS(=O)(=O)N3CCC3)c(c2)F)F)cc1Cl	258
+O=S(=O)(NC(=O)c1cc(c(COc2cc(c(cc2)Cl)Cl)cc1F)Cl)N3CCC3	258
+c1cc(ccc1)CNc2c(Cl)nc3c(nc(Cl)nc3N4CCC4)n2	464
+FC(F)(F)c1c(c(-c2nc(sc2)NC(=O)c3ccc(cc3)Nc4ncnc(N5CCC5)c4)ccc1)F	3875
+C1CCN1c2cc(ncn2)Nc3ccc(cc3)C(=O)OC	128
+C1N(CC1)c2nc(n(n2)C)CCc3nc4n(n3)c(cc(n4)C)C	6626
+C(OC(=O)NC1C=2N(C(=O)C=C(N=2)c3ccncn3)CCCC1)C	101
+C1CCC2(CCCN1C2)C(=O)N	327
+C1CCN2CCCC1(CNC(=O)c3c4c([nH]c3)cccc4)C2	56
+FC(F)(F)c1ccc(cc1)NS(=O)(=O)c2cccc(C(=O)N3CCN4CCCCC4C3)c2	30
+CC(C)(C)[Si](C)(C)OCC1CCCCN1	19
+C[Si](C)(C)CCOCn1c2c(c3c(ccnc13)OCC4CCCCN4)cc(C#N)nc2	3876
+Cc1cc(cc(C)c1S(=O)(=O)N2CCCCC2CO)OC	92
+CC(C)(C)C(=O)Nc1c(C(OC)=O)c([N+](=O)[O-])c(N2CCCC2=O)cc1	654
+CC(C)(C)OC(=O)N1c2cc(ncc2C(C)(C)C1)N3C(CCC3)=O	6627
+CC(C)(C)OC(=O)N1CCc2c(CC1)cc(Oc3ccc(cn3)N4C(CCC4)=O)cc2	3219
+CC(C)(C)OC(=O)N1C(=O)CCC1	3877
+CC(C)OCCCn1c(nc2cnc3c(ccc(c3)N4CCCC4=O)c12)COCC	2653
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CN3CCCC3=O)cc1)Br)CC	806
+c1c(cc(cc1)-c2nc(-c3cnccc3)no2)N4C(=O)CCC4	654
+n1c(c(Cl)ncc1)N2CCCC2=O	3613
+c1c(C)ccc(n1)N2CCCC2=O	3878
+N1(CCCC1=O)CCc2ccc(Br)nc2	638
+c1c(C(=O)O)cc(cc1[N+]([O-])=O)N2CCCC2=O	654
+c1(nc2c(c(Cl)c1)cc(cc2)N3CCCC3=O)C	883
+C1CC(CCN1c2nc(CN3CCCC3=O)nc4c2c(cs4)-c5ccccc5)CO	6628
+c1ccccc1CSc2c(c(N3CCCC3=O)ccc2)C	654
+C1CN(CCC1COc2ncc(nc2)-c3ccc(C(=O)N4CCCC4C(=O)N)c(F)c3)CC(C)(C)F	3388
+CC(C)(C)OC(=O)N1C2CC(C1C(N3CCCC3C(=O)N)=O)CC2O	348
+CC(C)(C)OC(=O)N1C(Cc2c(C1)cc(O)cc2)C(N3CCCC3C(=O)N)=O	348
+CC(C)(C)OC(=O)NC(C(=O)N1C(CCC1)C(=O)N)C2CCC(CC2)NC(=O)OCc3ccccc3	348
+CC(C)(C)OC(=O)NC(CCC(=O)OCC)C(N1C(CCC1)C(N)=O)=O	348
+CC(C)(C(C(=O)N1CCCC1C(OC)=O)NC(OCC)=O)SC(C)C	478
+C1C(C(OC)=O)N(c2nc(ncc2)-c3cnc4ccc(cn34)F)CC1	2619
+FC1CN(CC1)c2nc(cc(C)c2[N+]([O-])=O)N3CCOCCC3	43
+c1cc(ccc1C#Cc2ccc(cc2)CN3CCOCCC3)C(=O)OCC	48
+c1cc(ccc1C#Cc2ccc(cc2)C(N(C(C)(C(=O)NOC3OCCCC3)C(=O)NC)C)=O)CN4CCOCCC4	48
+C1CCN(CCO1)c2cc(Cl)ncn2	54
+c1(c(C)c(C)ccc1C)Oc2cnnc(O)c2Cl	3879
+n1nc(O)c(Cl)c(c1)Oc2c(cccc2)C(C)=O	3879
+C(OC)(=O)C1C=CCN2N1C(C(C2=O)(C)CCO)=O	168
+C(=C)P(C=C)(=O)c1ccc(cc1)F	6629
+CC(C)(C=O)c1cc(c(F)cc1)Br	1137
+CC(C)(C=O)c1c(cc(OC)c(Br)c1)Cl	1137
+CC(C)(C)OC(N1C2CC(CC1CC2)C=O)=O	1137
+CC(C)(C)OC(=O)N(Cc1ccc(cc1)-c2ccccc2)C3CC(CC3)C(=O)CCC=C	3681
+CC(C)(C)OC(=O)N1CC(F)(F)C(=CC(=O)OCC)CC1	3676
+CC(C)(C)OC(=O)N1CCC(CC1)N2c3c(cc(c(c3)C)F)NC2=O	6630
+CCC(CC)(c1ccc2oc(cc2c1)C)O	6631
+c1cc(ccc1S(=O)(=O)N)-c2c(c(sc2C(CC)=O)N3CCOCC3)C	3880
+O=Cc1c(C)cc(cc1OC)Br	3881
+Cc1cc(cc(C)c1Oc2nc(cc(NC(CC)CC)c2C)C)C=O	3882
+FC(F)(F)c1cnc(C(C)=O)cc1	6632
+FC(F)(F)c1ccc(Oc2ccc(cc2)CCO)cn1	6633
+FC(F)(C1(OC1)c2c(F)cc(cc2)F)SCC	2059
+c1cc(F)c(c(OC)c1OC)C=O	6634
+OC12C(C(CC=O)CC1)(C)CCC3C2CCC4C3(CCC(O)C4)C	1137
+CC(C)(OCC)COC1CC(C1)N2c3n(ncn3)C(CCC)=C(C2=O)Cc4ccc(cc4)-c5ccccc5C#N	6635
+C1CC(CCC1N2c3n(ncn3)C(=C(C2=O)Cc4ccc(cc4)-c5ccccc5C#N)CCC)OC(C(C)(C)O)CC	6636
+c1c(Br)c(F)ccc1C=C	6637
+c1(cccc(Cl)c1CCOCCN2CCC3(CC2)CO3)Cl	6638
+c1ccc2C(=O)N(C(c2c1)=O)CCCC(CO)N(C(=O)NCc3cccc(c3Cl)F)C	6639
+C1OC1(c2ccc(cc2F)F)C(C)c3cccnc3	2059
+c1c(cc(c(I)c1)C=O)Br	3881
+c1cc(ccc1)C(c2ccccc2)(C=O)CC(C)N(C)C	1137
+c1cc(ccc1)CN(Cc2ccccc2)c3ccc(C=O)nc3	6640
+c1cc(ccc1-c2oc3c(cccc3c2)C(=O)OC)[N+](=O)[O-]	6641
+c1ccccc1COc2ccc(cc2)C3(CC3)c4nc5c(nc(-c6ccc(cc6F)C7OCCCO7)s5)cc4	6642
+c1cc(ccc1Cl)Oc2ccc(c(Cl)c2)C3(CC)CO3	2059
+c1cc(ccc1F)CCN2CCC(CC2)C=O	1137
+c1cc(ccc1-c2cc(-c3ccc(cc3)Cl)sc2C(CC)=O)S(=O)(=O)N	3880
+c1(cc(cnc1)C#Cc2cccc(c2)OC)C=O	6643
+c1ccccc1CN2CC(NC)C(c3cc(F)c(cc3)Cl)C2	3883
+c1cc(ccc1)CN2CC(NC)C(c3cc(c(Cl)cc3)Cl)C2	3883
+C1CC(CCC1CCOCc2ccccc2)=C	6644
+c1ccccc1COc2c(cc(Cl)cc2)C3(C)OC3	2059
+O=Cc1c2ccncc2c(cc1)Br	3882
+C1CC1c2c(OCC3OCCC3)nc(cc2)C(O)=O	2060
+c1(F)c(ccc(N2C(c3c(C=C2)cc(OCC4CCCO4)cc3)=O)c1)Br	6645
+CC1(C)OB(OC1(C)C)c2cccc(c2)OCC3OCCC3	17
+FC(F)(F)C(=O)c1cn(CC2OCCC2)c3cccc(Cl)c13	531
+CC(C)CNCc1cc2OCCCOc2c(c1)Cl	42
+C1CC(CCN1C(=O)c2cc(Cc3c4c(c(O)nn3)CCCC4)ccc2F)C(OCC)=O	30
+C1CCc2c(C1)c(nnc2Cc3ccc(F)c(C(=O)O)c3)O	3831
+O=S(=O)(c1c(cc(cc1)F)NC2c3c(ccc(c3CCC2)OC)OC)C	60
+C1c2c(CCC1)ccc(OC)c2O	1991
+OC1c2c(CCCC1)cccn2	59
+c12c(cccc1)nc(N)c3nc4n(OCCCC4)c23	445
+FC(F)(F)Oc1cc(ccc1)S(=O)(=O)Nc2cc(c(cc2)OC)C3CN(CC3)C(=O)CC	69
+C1CN(C(=O)CC)CC1c2c(ccc(N)c2)OC	0
+CC(C)(C)OC(N(CC(=O)N1CCSc2c1ccc([N+](=O)[O-])c2)CCO)=O	1568
+Clc1ccc2c(NC(N2C3C(C)CN(CC3)C(=O)OC)=O)c1	1595
+C1CN(C(=O)OC)CC(C)C1Nc2c(N)cc(Cl)cc2	0
+CCNC1CCNCC1C	215
+N1CC(c2cc(ccc2)OC)=CCC1	6646
+C1CN(C(CC1c2n3c(c(N)ncc3)c(Br)n2)=O)C	522
+CC(C)(C)OC(N(CC(=O)N1c2cc(ccc2SCC1)[N+]([O-])=O)C)=O	1568
+FC(F)(F)COc1c(Cl)cccc1CC(N2CCN(c3c(C)cccc3)CC2C(=O)N)=O	6647
+CC(C)(C)OC(N1C(C)CN(CC1)c2nccnc2Cl)=O	23
+c1ccccc1Cc2c(C)c(c(nn2)N3CC(C)NCC3)C	6648
+N1(CCN(c2ncc(C(OC)=O)nc2)C(C)C1)c3nnc(c(C)c3C)Cl	317
+Nc1c(c(N2CCC3C(C2)OCC(=O)N3)cc(C#N)c1)Cl	467
+CC(C)(C)[Si](C)(C)OC1CN(CC1)c2ccc(cc2F)[N+]([O-])=O	19
+c1cc(ccc1OC(OC2CCN(C2)c3ncc(C(=O)N)cc3)=O)[N+]([O-])=O	405
+CC(C)(C)[Si](C)(C)OC1CN(c2ccc3c(c(Cl)ccc3n2)N)CC1	19
+c1c(ccc2n1c(C3CN(C)CC3)nn2)OC4CCC(N)c5ccccc45	870
+C1CN(CCC)CC(c2cc(ccc2)O)=C1	5
+c1c(C)c(c(cc1C)C)CC(=O)NC2(CCN(CC2)OCC)C#N	68
+c1cc(ccc1)C(N2CCC3(CC2)C(c4c(C3)cccc4)=O)=O	214
+c1cc(ccc1)CN2CCC(CC2)(Nc3ccccc3)C(=O)OC	325
+C1CN(CCC1(F)C(O)=O)C2CCCN(CC2)C(OCC)=O	3
+C1CC(CCN1Cc2ccccc2)(Nc3cccc(c3)C)CO	44
+CC(C)(C)OC(NC1(CCN(CC1)C(OCC)=O)CC#N)=O	37
+C1CC(CCN1c2sc3c(ccc(Cl)c3)n2)(CCCl)CC	221
+C1CN(CCC1(CC)CCOc2cc(ccc2Cl)CC(O)=O)c3sc4c(ccc(Cl)c4)n3	4
+C1CC(CCN1C(c2ccccc2)=O)(c3ccccc3)CCN4CCC(CC4)c5nc(Cc6cccnc6)no5	61
+CC(C)(C)OC(NCCC1(CCN(CC1)Cc2ccccc2)O)=O	37
+C1CN(CCC1(c2c(cccc2)C)CNC(=O)OCC)C(=O)OCC	101
+C1CN(CCC1(CN2CCNCC2)c3ccccc3)C	25
+c1ccccc1C(c2ccccc2)NC(=O)N3CCN(CC3)CC4(CCN(CC4)C)c5ccccc5	384
+c1ccccc1C2(CCNCC2)CNC(c3ccccc3OC)=O	25
+c1cc(ccc1)CN2CCC3(CC2)COC(c4ccc(cc4)OCCCN5CCCC5C)=N3	6649
+C1CN(CCC1(COc2ccc(cc2)C#N)O)Cc3ccccc3	57
+C1CN(CCC1(F)CN=[N+]=[N-])C(=O)OCc2ccccc2	133
+CC(C)(C)NC(=O)C1(CCN(CC1)C2CCCN(CC2)C(OCC)=O)F	9
+C1CC(CCN1C(=O)OCc2ccccc2)(F)CN	18
+FC(F)(F)c1ccc(cc1)-c2nnc(N3CCN(C(C)C3)C(N4CCC(CC4)(F)F)=O)c5c2ccnc5	468
+C1CN(CCC1(F)F)C(=O)c2nc(sc2)C(NN)=O	6650
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(OCC)=O)o3	126
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(=O)O)o3	6
+C1CN(CCC1(F)F)c2nc(N3Cc4c(CC3)nccc4)cc(c2[N+]([O-])=O)C	43
+C1CN(CCC1(C(=O)OC)N(O)C(=O)Cc2c(C)ccc(C)c2)OC	2061
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)(C(=O)N)N)N3C(NC(=O)C3(C)C)=O	527
+C1CN(CCC1(C)N)c2c3c(ccc2)OCCO3	524
+c1cc(ccc1C(N2CCC(CC2)(CNC(=O)c3cccc(Oc4ccc(cc4)F)c3N)O)=O)F	14
+c1cc(ccc1CC2(CCNCC2)O)C	215
+C1CN(CCC1(OC)CC2CCCCC2)c3ccc(cc3)C(=O)O	6
+C1CC(CCN1c2ccc(cc2)C(O)=O)(OC)Cc3c(F)cccc3	6
+C1CC(CCN1C(=O)OCC)(Oc2ccc(cc2N)F)C#C	0
+C1CN(CCC1(CN)c2ccccc2C)C(=O)OCC	51
+C1CN(CCC1(COCc2c3ccccc3cc(C#N)c2OC)c4ccc(Cl)c(c4)Cl)C	149
+C1CC(CCN1c2ncnc3nc[nH]c23)(C=O)c4cccc(-c5cn(nc5)C)c4	24
+C1CC(CCN1)(O)c2cc3c(CCOC3)cc2	215
+C1CC(CCN1C)(c2ccc(Cl)c(Cl)c2)C(=O)OCC	27
+C1CNCCC1(c2sc(Cl)cc2)O	215
+C1CN(CCC1(CN2CCN(CC2)Cc3ccccc3)c4ccccc4)C	15
+c1cc(ccc1)C2(CCN(CC2)Cc3ccccc3)CN4CCN(CC4)C	6651
+C1CC(CCN1Cc2ccccc2)(c3cnccc3)NC	2062
+C1CN(CCC1)C(=O)c2ncc(N)cc2	13
+C1CN(CCC1)C(=O)c2ccc(cc2)CO	41
+C1CN(CCC1)C(c2ncc(cc2)I)=O	3884
+c1cc(ccc1)NC(NC(C(=O)N2CCCCC2)CCCCO)=O	1631
+C1CN(CCC1)C(Cc2ccccc2)C(=O)N3C(CCC3)C(=O)N4C(CCC4)C(O)COc5ccccc5	2654
+c1cc(ccc1OCc2ccccc2)S(=O)(=O)NCC(N3CCCCC3)C(=O)OC	71
+C1CCCCN1C(NCc2cccnc2)=C[N+](=O)[O-]	2063
+C1COCCN1c2cnc(C(=O)N3CCCCC3)cc2	2064
+c1cc(ccc1)COCC2CC(C2)(N3CCCCC3)CN	51
+C1CN(CCC1)C2(CC(C2)CO)CNC(=O)c3c(Cl)cc(cc3)Cl	118
+C1COCCN1c2c3c(cc(CN4CCC(CC4)N5CCCCC5)s3)nc(Cl)n2	509
+C1CN(CCC1N2CCCCC2)c3c(C(C)=O)cc(c4cccnc34)Cl	1563
+FC(F)(F)c1cc(-c2nc3c(c(c2CN4CCC(CC4)N5CCCCC5)C(OC)=O)cc(cc3)S(=O)(=O)C)ccc1	619
+FC(F)(F)c1cccc(-c2nnc3CC(CC(OC(N4CCC(CC4)N5CCCCC5)=O)c3c2)C)c1	2655
+C1CN(CCC1N2CCCCC2)CC=CC(Nc3c(OC)cc4ncc(c(Nc5ccc(F)c(c5)Cl)c4c3)C#N)=O	3600
+CC(C)(C)[Si](C)(C)OCCCc1cc2C(C)(C)CCC(C)(C)c2cc1C=O	6652
+c1ccccc1-c2cc(C=O)c(cc2)CO	6653
+C1CN(CCC1)CC#CC(=O)Nc2ccc3ncc(C#N)c(Nc4cccc(Br)c4)c3c2	2355
+C1CCCCN1CC=2NC=3CC(c4c(cc(cc4C)C)C)OC(=O)C=3C(C=2C(=O)OCC)c5cc(O)ccc5	3539
+C1CN(CCC1)CC2ON=C(c3ccc(-c4c(F)cc(N5C(=O)OC(Cn6ccnn6)C5)cc4)cn3)C2	156
+C1CN(CCC1)CCC(N2c3c([nH]c(C=O)c3)CCCC2)=O	413
+c1c(F)c(c(cc1)F)-c2c3C(=Cc4[nH]c5c(N(CCCC5)C(=O)CCN6CCCCC6)c4)C(=O)Nc3ccc2	292
+C1CN(CCC1)CCCC#Cc2c3nc(nc(c3n(COCc4ccccc4)c2)N)CCCC	3885
+C1CN(CCC1)CCCCCc2c3nc(CCCC)nc(N)c3n(c2)COCc4ccccc4	2065
+CC(C)(C)OC(n1nc(-c2ccc(nc2)OC)cc1NC(=O)CCCN3CCCCC3)=O	142
+C1CN(CCC1)CCCC(=O)O	3
+C1CN(CCC1)CCCCCCCCCC(CO)O	1886
+C1CN(CCC1)CCCCCc2c[nH]c3c(nc(CCCC)nc23)N	6654
+CC(C)(C)c1cc(NC(=O)Nc2cc(C#Cc3cnc(nc3)NCCCN4CCCCC4)ccc2)n(C)n1	96
+CC(C)CCN(CCC(C)C)C(c1cc(NCCCN2CCCCC2)c([N+](=O)[O-])cc1)=O	60
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc([N+](=O)[O-])c(NCCCN2CCCCC2)c1)=O	205
+O(C)C(OC)CNCCCN1CCCCC1	110
+C1CCCCN1CCCN=C=S	985
+C1CCCCN1CCCNC(c2cc(Br)ccc2)=O	93
+C1CCCCN1CCCNc2c([N+]([O-])=O)ccc(Cl)n2	70
+C1CCCCN1CCCNc2nc(ccc2[N+](=O)[O-])Br	340
+C1CN(CCC1)CCCN2CCC(CC2)CCCN3C(=Nc4c(OC)cccc4C3=O)C=Cc5ccc(cc5)Cl	2066
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(c(OCCCN3CCCCC3)cc2)F	79
+C1CN(CCC1)CCCOc2c(OC)cc3c(ncnc3Oc4ccc5c(c4)cc(C(O)=O)[nH]5)c2	185
+C1CN(CCC1)CCCOc2cc3c(cc2OC)c(Cl)ncn3	569
+C1CN(CCN1c2cc(c(OCCCN3CCCCC3)cc2)F)C(=O)c4ccccc4	115
+CC(C)(C)c1ccc([N+]([O-])=O)cc1OCCN2CCCCC2	72
+C1CCCCN1CCC(c2c(cccc2)Cl)C#N	3886
+c1cc(ccc1C)S(=O)(=O)Oc2ccc(Br)c(OCCN3CCCCC3)c2	72
+C1CN(CCC1)CCn2nc(c3ccccc23)I	2058
+C1CN(CCC1)CCNC(=O)c2ccc(-c3ccc(N)c(F)c3)nc2NCC	362
+C1CN(CCC1)CCOCC=2NC(=NC(c3cc(c(cc3)C)[N+](=O)[O-])C=2C(=O)OCCCc4ccccc4)c5occc5	6655
+c1cc(ccc1C2=NC(=C(C(=O)OCCCc3ccccc3)C(N2)c4ccc(c(Cl)c4)Cl)COCCN5CCCCC5)Cl	6656
+C1CN(CCC1)CCOc2ccc(cc2)C3c4c(ccc5cc(O)ccc45)-c6ccc(cc6O3)CO	5
+C1CN(CCC1)CCOc2ccc(cc2)C3c4c(ccc5c4ccc(OC)c5)-c6ccc(cc6O3)CO	98
+FC(F)(F)S(=O)(=O)Oc1c(Oc2ccc(cc2)OCCN3CCCCC3)c4ccc(cc4cc1)OC	166
+C1CN(CCC1)CCOc2c(cc(CNc3cc(OC)ccc3-c4sc5c(cccc5)n4)cc2)F	162
+O=S(=O)(N1CCc2c(OCCN3CCCCC3)cccc2C1C(O)=O)c4ccc(cc4)Oc5ccc(cc5)F	6657
+C1CCCCN1CCn2c3c(c(-c4ccc(cc4)NC(NCc5cccnc5)=O)n2)cccc3	1016
+C1CN(CCC1)Cc2ccc(OCCCCCOc3c4c(cc(Cl)cc4)ncc3)c(c2)OC	8
+C1CN(CCC1)Cc2cc(ccc2)OCCCCN	51
+c1cc(ccc1C(c2ncccc2)CCN(CCNC(=O)NCCCCOc3cccc(c3)CN4CCCCC4)C)Cl	1957
+C1CN(CCC1)Cc2oc(cc2)CNCCN3c4c(NC3=O)cccc4	3887
+c1(cc(cc(F)c1)Cc2cc3c(NC(=O)c4c([N+](=O)[O-])cc(cc4)CN5CCCCC5)n[nH]c3cc2)F	650
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(=O)CCCSCCOC(C)=O	152
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(CCCCSCC(=O)OC)=O	6658
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(CCCCSCCO)=O	95
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(CCCCSCCOC(C)=O)=O	152
+Cc1cccc(C)c1CCCn2c3c(nc2CN4CCCCC4)cccc3	656
+C[Si](C)(C)c1ccc(cc1)-n2c(c(cc2-c3ccc(cc3Cl)Cl)C(=O)NN4CCCCC4)C	1872
+FC(F)(F)CCOc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C	6659
+FC(F)(F)Oc1ccc(cc1)-c2nc(c(C)[nH]2)C(NN3CCCCC3)=O	3888
+c1ccccc1COc2ccc(cc2)-n3c(c(nc3-c4c(Cl)cc(cc4)Cl)C(NN5CCCCC5)=O)C	3888
+C1CN(CCC1)c2cc([n+](cc2Br)[O-])C	103
+C1CN(CCC1)c2cc(N(C)C(C)=O)ccc2N	0
+C1CN(CCC1)c2cc(N(C)C(C)=O)ccc2[N+](=O)[O-]	808
+O=S(=O)(C)N(c1cc(c([N+](=O)[O-])cc1)N2CCCCC2)C	1632
+C1CCCCN1c2c(N)ccc(OCC)c2	0
+C1CN(CCC1)c2cc(c(cc2)OC)CCN3CCC(CC3)n4ccc5c4cc(C(=O)N)cc5	61
+C1CN(CCC1)c2cc(ccc2NC(=O)c3oc(C#N)cc3)N(C)S(=O)(=O)C	1129
+C1CN(CCC1)c2cc(OCC)ccc2[N+]([O-])=O	556
+C1CCCCN1c2cc(-n3ccnc3)ccc2[N+](=O)[O-]	2067
+FC(F)(F)c1c(nccc1)N2CCN(CC2)c3nc(N4CCCCC4)cc(n3)Cl	117
+C1CN(CCN1c2ccc(C(C)=O)cc2F)C(=O)c3cc(S(=O)(=O)C)ccc3N4CCCCC4	30
+C1CN(CCC1)c2cc(c(N)cc2)C(=O)N	0
+FC(F)(F)c1cccc(-n2cc(NC(=O)c3c([N+](=O)[O-])ccc(N4CCCCC4)c3)nc2)c1	1351
+O=S1(=O)c2ccc(-c3ccc(cc3)N4CCCCC4)cc2C=C(CC1)C(=O)OC	750
+C1CN(CCC1)c2ccc(N)nc2	161
+C1CN(CCC1)c2nc(-c3ccc(cc3C)C)c(c(C)n2)C(CCC)C(O)=O	4
+O=C1c2c(C(=O)N1CCN3CCNc4c(nc(C#N)nc34)N5CCCCC5)cccc2	332
+c1cc(ccc1C)-c2c(C(CCC)C(OC)=O)c(nc(N3CCCCC3)n2)O	1173
+C1CCCCN1c2cc(nc(n2)-c3ccc(cc3)-c4ccccc4)C(OC)=O	345
+C1CN(CCC12NC(C(=C2O)c3cc(c(cc3C)F)-c4ccc(cc4)Cl)=O)OC	11
+C1CN(CCC12c3c(NC2)cccc3Br)Cc4ccccc4	15
+c1cc(ccc1)CN2CCC3(CC2)C(c4c(C3)ccc(OC)c4)O	74
+c1cc(ccc1F)C2C3(CCN(CC3)Cc4ccccc4)CNC2	15
+C1CN(CCC12CC(C(C2)NCc3nc4c(SCC(N4)=O)cc3)O)c5ccnc6ccc(nc56)OC	294
+C1CC2(CCN1C(c3ccccc3OC)=O)Oc4c(C(O)C2)cccc4	74
+C1CN(CCC12CC(c3cc(ccc3O2)C=CC(O)=O)=O)CCc4c[nH]c5ccccc45	127
+C1CCC1N2CCC3(CC2)CCNCC3	25
+C1CC2(CCN1Cc3ccccc3)CCNCC2	15
+C1CN(CCC12CCc3ccccc23)CC4Cc5ccccc5N(CC(O)=O)C4=O	4
+C1CN(CCC12CCc3ccccc23)CC4Cc5ccccc5N(CC(N(C)C)=O)C4=O	10
+C1CC2(CCN1)c3ccc(cc3OC2)O	25
+C1CN(CCC12COc3cc(ccc23)O)Cc4ccccc4	5
+CC(C)(C)C(=O)OC1=C(c2c(cc(c(c2)-c3ccc(cc3)Cl)F)C)C(NC14CCN(CC4)OC)=O	6660
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+CC(C)(C)OC(N1CCN(CC2(CCN(CC2)c3ncnc(Cl)c3)O)C(=O)C1)=O	6661
+C1CC1N2C(=O)COC3(CCN(CC3)C(C)c4c(F)cc(-c5ccc(cc5)OC)cc4)C2	11
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4cn(nc4C)-c5ncccc5COC	3889
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+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4c(nn(-c5c(F)cccc5CO)c4)C	98
+CC(C)(C)OC(CCOCCc1cc(CCN2CCC3(CC2)OCCN(C(c4nc(sc4)C(C)C)=O)C3)cs1)=O	1615
+C1CN(CCC12OCCN(C(c3nc(sc3)C(C)C)=O)C2)CCc4cc(sc4)CCO	59
+C1CN(CCC12OCCO2)CCN	51
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+C1CN(CCC12OCCO2)CCc3c(cc4c(NCCC4)c3)OC	1352
+C1CN(CCC12OCCO2)CCc3c(OC)cc4c(N(CCC4)C)c3	1353
+O(c1cc(cc(OC)c1OC)-c2nccc(CN3CCC(CC3)=O)c2)C	97
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC3(CC2)OCCO3)N4C(NC(=O)C4(C)C)=O	6662
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+C1CN(CCC12Oc3c(C(=O)C2)cc(NS(=O)(=O)C)cc3)C	80
+C1CN(CCC12Oc3ccc(cc3C(C2)=O)C#N)C(=O)c4cc(OC)c5cccc(OC)c5n4	160
+c1ccccc1COC(c2ccc3c(C(=O)CC4(CCN(CC4)C(=O)c5cc(OC)c6cccc(OC)c6n5)O3)c2)=O	2656
+C1CN(CCC12Oc3c(cc(N)cc3)C(=O)C2)C	0
+C1CC2(CCN1C(=O)c3cc(OC)c4cccc(OC)c4n3)CC(=O)c5cc(ccc5O2)-c6[nH]nnn6	1174
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+C1CN(CCC1CC(OCC)=O)OC	774
+c1cc(ccc1OC)N2CCC(CC2)N	733
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+c1cc(ccc1C)NC2(CCN(CC2)C)C#N	1621
+C(#N)Cn1c2CCN(Cc2c3cc(C)ccc13)C	6665
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+[nH]1c2CCN(Cc2c3cccc(Br)c13)C	518
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+c1ccc2c(c1)[nH]c3CCN(Cc23)C	6666
+c1cc(ccc1CNC2CCN(CC2)C)C	87
+c1cc(ccc1CNC2CCN(CC2)C)F	87
+c1ccccc1CN2C(CN(C3CCN(CC3)C)CC2)C	85
+c1ccccc1S(=O)(=O)Oc2cc3c(C=4CCN(C)CC=4)c[nH]c3c(c2)Br	888
+CC(C)[Si](C(C)C)(C(C)C)n1cc(c(-c2ccnc(F)c2)c1-c3ccc(cc3)F)C4=CCN(C(OCC=C)=O)CC4	6667
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+c1cc(ccc1NC2(CCN(CC2)C(=O)OCC)C#N)F	1621
+C1CC(CCN1C(=O)OCC)N2CCc3c2cccc3	3891
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+C1CN(CCC12OC2)C(c3ccc(cc3)F)=O	1626
+C1CN(CCC1Nc2ccccc2N)C3CC4CCCc5cccc3c45	231
+C1CN(CCC12OCCO2)CC#N	381
+CC1CN(CC(C)O1)C2CCN(CC2)CC34c5c(cccc5)C(C3)c6c4cc(cc6)Cl	85
+C1COCCN1c2c3c(cc(CN(C4CCN(CC4)CCOC)C)s3)nc(n2)Cl	85
+c1cc(ccc1COc2c(cc(Br)cc2)CN3CCC4(CC3)CO4)Cl	1626
+C1CN(CCC1NC)Cc2cc(c(F)cc2)F	87
+C1CC(CCN1S(=O)(=O)c2cccc(Cl)c2)(C#N)N	661
+CC1(C)OB(OC1(C)C)c2cccc(c2)N3CCC(CC3)=O	17
+C1CN(CCC12OC2)c3ncnc(Cl)c3	1626
+C1CN(CCC1=CC(=O)OC)c2ccc(Cl)c(c2)OC	1513
+C1CC(CCN1c2cccc(c2)-c3ccnc(Cl)n3)O	100
+c1cc(ccc1)C2C(NC3CCN(CC3)c4nccc(n4)N)C2	87
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+c1cc(ccc1N2CCOCC2)-c3cnc(N)c(c3N4CCC(CC4)C#N)Cl	89
+C1CN(CCC1C(C)=O)c2c(nnc(Cl)c2)OC3CN(C3)c4ccc5c(cccc5)n4	485
+CC(C)(C)OC(n1ccc2c(NC(C3CCN(CC3)C(OCc4ccccc4)=O)=O)ccnc12)=O	26
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+c1cc(ccc1)NC(=O)C2CCN(CC2)Cc3ccc(cc3)-c4nc5c(cc4-c6ccccc6)cnc7n5nc(C)c7	33
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+C1CN(CCN1C(C2CCN(CC2)c3c(cncc3F)NC(c4c5n(cc(F)cn5)nc4N)=O)=O)C6COC6	10
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+C1CN(CCC1C(NN)=O)C(C)=O	561
+C1CN(CCC1C(=O)O)CCCCCN2c3nc(nc(N)c3NC2=O)OCCCC	4
+C1CN(CCC1C(=O)OC)CCCCCN2c3nc(nc(N)c3NC2=O)OCCCC	1604
+c1ccccc1-c2c(CCN3CCC(CC3)C(NC(=O)NCc4cc(OC)c(c(c4)OC)OC)=O)c5ccccc5[nH]2	3590
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+CC(C)(C)OC(=O)N1C(c2nc(no2)N3CCC(CC3)C(C)CCO)CCC1	6669
+C1CC(CCN1C(=O)C)c2nc(sc2)N	1102
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+c1ccccc1C(C(=O)O)N2CCC(CC2)C(N)=O	3
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+C1CC(CCN1CC=2Oc3c(C(=O)C=2)cc(C#Cc4ccc(-c5ccc(cc5)Cl)cn4)cc3)C	129
+C1CN(CCC1C)CC2=CC(=O)c3cc(I)ccc3O2	3706
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+C1CC(CCN1c2cc3nc(-c4n[nH]c5c4cc(NC(C6CC6(F)F)=O)cc5)[nH]c3cc2)C	804
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+c1(F)cc(cc(F)c1-n2c(N3CCC(CC3)C)c(Cl)nc2SC)F	844
+CC(C)(C)[Si](C)(C)OCCC1C(C1)C2CCN(CC2)c3ccc(C=O)cn3	19
+FC(F)(F)c1cc(ccc1)Cc2ccc(cc2)C(N3CC(C3)C4CCN(CC4)C(=O)c5sccn5)=O	30
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+C1CN(CCC1C=Cc2c(F)cccc2)Cc3c(ncc(c3)Cl)O	104
+CC(C)(C)OC(NCC1CCN(CC1)CC2CCN(CC2)C(=O)OC)=O	61
+CC(C)(C)c1cc2c(NCC23CCN(CC3)C(=O)OCc4ccccc4)cc1	3897
+C1CC(CCN1C(=O)OCc2ccccc2)CN3c4ccc(cc4CCC3)Br	713
+C1CC(CCN1OC)C(C#N)O	2069
+C1CN(CCC1Cn2c(OC)nc3c2nc(OCCCC)nc3N)C(=O)OCc4ccccc4	2658
+C1CN(CCC1Cc2nnc(-c3nn(C(C)C)c4ccccc34)o2)C5CCC5	6672
+C1CC(CCN1c2c(cc(Cl)cc2)NC(c3cccc(Cl)c3)=O)CC(OCC)=O	50
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+CC(C)(CC1CCN(CC1)c2ncc(cc2)[N+](=O)[O-])C(=O)O	4
+C1CC(CCN1OC)CC(NC(=O)Cc2c(C)cc(cc2C)C)C#N	68
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+C1CN(CCC1CC(=O)NCCc2[nH]nnc2)C(OCc3cc(Cl)cc(Cl)c3)=O	3898
+C1CC(CCN1C(CC2CCN(CC2)c3ccc(cc3NC(c4cccc(Cl)c4)=O)Cl)=O)O	10
+C1CC(CCN1OC)CCO	44
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+C1CNCCC1CCC(=O)c2cc3CCOc3cc2	526
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+C1CC(CCN1C(=O)Nc2nccc(Oc3ccc4n(C(=O)NC)ccc4c3)c2)CCCC(NC)=O	9
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+C1CN(CCC1CCCCCCn2c(nc3c(nc(nc23)OCCCC)N)OC)C(=O)OCc4ccccc4	2658
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+C1CN(CCC1CCCOc2cc(C)c(c(C)c2)Br)c3nc(C(C)C)no3	262
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+CC(C)(C)OC(NC(Cc1c(cc(OCCCC2CCN(CC2)c3nc(no3)C(C)C)cc1)C)C(OC)=O)=O	6675
+C1CN(CCC1CCCOc2ccc(c(c2)C)C(=O)OC)c3noc(C(C)(C)F)n3	2563
+C1CN(CCC1CCCOc2ccc(C(=O)O)c(C)c2)c3noc(C(C)(C)F)n3	1
+C1CN(CCC1CCCOc2cnc(cc2)C(=O)NC(CO)C)c3nc(no3)C(C)C	81
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+c1ccccc1C(CCN2CCC(CC2)CCCc3ccccc3)Cl	3899
+C1CC(CCN1)CCCn2ccnc2	2659
+C1CC(CCN1C)CCNc2nc3N(C(=O)C(=Cc3cn2)Br)CC	306
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+O=S(=O)(c1ccc(C2=Cc3c(nc(nc3)NCCC4CCN(CC4)C)N(CC)C2=O)c(c1)C)N(C)C	306
+O=S(=O)(NCCC1CCN(CC1)c2c3sc(C(N)=O)cc3nc(C)n2)C	111
+C1C(CC1)N(CC(=O)NC)CC2CCN(CC2)c3c4c(csc4ncn3)-c5ccccc5	248
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+C1CC(CCN1c2ccccc2OC)CNCC3COc4ccccc4O3	463
+c1ccccc1NC(=O)NCC2CCN(CC2)c3ncc(cc3NC(=O)c4cc(Cl)ccc4)S(=O)(=O)C	282
+C1COCCN1C(=O)C2N(C(CN(C2)S(=O)(=O)c3ccc4c([nH]cc4Cl)c3)=O)CC5CCN(CC5)C=6C=CC(=O)N(C)N=6	10
+C1CN(CCC1CNC(Nc2c(N)ccc(c2)-c3cccs3)=O)C(C)=O	0
+C1CN(CCC1CNc2nc3c(cccc3C(=O)O)[nH]2)Cc4cc(Cl)cc(c4O)Cl	1
+C1CN(CCC1CNc2[nH]c3cccc(C(=O)NC(C)C)c3n2)Cc4cc(Cl)cc(c4O)Cl	56
+C1CN(CCC1COS(=O)(=O)C)C(=O)C	7
+C1CN(CCC1C=O)C(=O)OC	24
+C1CN(CCC1COc2ccc(cc2)Br)C(=O)OC(C)C	20
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+C1CN(CCC1COS(=O)(=O)C)c2nccc(c2)C	7
+C1CC(CCN1C(=S)C)COS(=O)(=O)C	199
+C1CC(CCN1c2nc(no2)C(C)C)COc3ccc(nc3)-c4c(F)cc(cc4)SC	1920
+FC(F)(F)c1cc(-c2cc3n(nnc3c(C#N)n2)C)ccc1OCC4CCN(CC4)c5cc(ccn5)C	262
+C1CN(CCC1COc2c(cc(c(N)c2)C(=O)OCC)OC)C	0
+C1CC1c2cc(c(cc2OCC3CCN(CC3)S(=O)(=O)C)F)C(=O)O	1
+C1CN(CCC1COc2cc3c(cc2OC)c(O)ncn3)C	6676
+C1CC(CCN1C(=O)CO)COc2c3c(ccc2)ncnc3Nc4ccc(OCc5cccc(n5)C)c(Cl)c4	20
+C1CN(CCC1COc2cc(ccc2)C(OC)=O)c3ncc(cn3)N	193
+C1CN(CCC1COc2cc3ncnc(Cl)c3cc2OC)C	569
+Fc1cc(cc(F)c1Nc2ncnc3cc(c(cc23)OC)OCC4CCN(CC4)C)Cl	73
+C1CN(CCC1COc2ccc(cc2)-c3ccc(cc3)SC(C)C)C(=O)OC(C)C	11
+C1CN(CCC1COc2ncc(nc2)-c3ccc(C(OCC)=O)c(F)c3)CC(C)(C)F	3901
+C1CN(CCC1COc2ncc(nc2)-c3ccc(c(F)c3)C(=O)O)CC(C)(C)F	6
+O=S(=O)(c1ccc(cc1CC2CCN(CC2)CC)F)Nc3ccc4c(c3C(=O)OC)OCC5CC45	69
+CC(C)C(N)CN1CCC(CC1)Cc2cc(c(Cl)cc2)Cl	15
+C1CN(CCC1Cc2nc3c(nc(nc3cc2)-n4c(nc5c4cccc5)C(F)F)N6CCOCC6)C(=O)C	3623
+C1CC(CCN1CCNC(=S)Nc2c(ccnc2)N)Cc3nc4cccnc4n3CCOCC	3902
+C1CC(CCN1)Cn2c3c(nc2OC)c(nc(OCCCC)n3)N	62
+C[Si](C)(C)Cn1nnc(c1)-c2cc3c(cc2)n(cc3)CC4CCN(CC4)C(CCc5ccccc5)=O	6677
+C1CN(CCC1Cn2ccc3c2ccc(-c4c([nH]nc4)C)c3)C(CCc5ccccc5)=O	747
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+C1CN(CCN1CCn2ncc(-c3cc(-c4nc5ccccc5o4)c(nc3)N)c2)C	123
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+C1CN(CCN1C)Cc2cccc(B(O)O)c2	48
+C1CN(CCN1c2c([N+]([O-])=O)cc(Nc3nccc(-c4c5ccccc5n(c4)C)n3)c(OC)c2)C	34
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+c1(C)cc(cc(C)c1)NC(c2cccnc2SCc3ccnc(c3)N4CCN(CC4)C)=O	361
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+C1CN(CCN1C)c2cc(F)nc(F)c2	6696
+C1CN(CCN1c2nccc(N)c2)C	43
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+C1CN(CCN1C)c2cc3ncn(c3nc2)Cc4ccc(c(OC)c4)OCc5cnc(cc5)OC	6697
+C1CN(CCN1C(=O)c2cc(c([N+](=O)[O-])cc2)[N+](=O)[O-])C	30
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+c1cc(ccc1C=2CCCCC=2C)C(N3c4c(cccc4)Cn5c(C(=O)N6CCN(CC6)C)ccc5C3)=O	147
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+C1CN(CCN1c2nc(C)nc3c2nc(-c4c(cccc4)F)n3-c5ccc(cc5)Cl)C	1310
+C1CN(CCN1C)C(c2cccc(c2)Br)c3ccc(cc3)Cl	2073
+c1cc(ccc1F)-c2cc(no2)C(NCCC(=O)N3CCN(CC3)C)=O	10
+c1cc(ccc1N2CCN(CC2)C)C(=O)Nc3c(nc(Nc4c5ccccc5ncc4)s3)C(N)=O	34
+C1CN(CCN1c2ccc(cc2)C(Nc3c(nc(Nc4cc5cccnc5cc4)s3)C(N)=O)=O)C	34
+C1CN(CCN1C)CCCOc2ccc(cc2)NC=C3c4ccccc4NC3=O	183
+C1CN(CCN1c2ccc(cc2)C(Nc3sc(nc3C(N)=O)Nc4ccc(cc4)OC)=O)C	34
+c1cc(ccc1O)CCNc2nc(-c3cc(CN4CCN(CC4)C)ccc3)ccn2	48
+c1cc(ccc1OCCCN2CCN(CC2)C)Br	28
+c1cc(ccc1S(=O)(=O)N(c2c(CN3CCN(CC3)C)cccc2C(=O)OC)C)OC	131
+C1CN(CCN1C)c2ncc(cc2)C(OC)=O	43
+C1CN(CCN1C)c2c(CCCCCC)c(c(c3n2c4c(cccc4)n3)C#N)C	6701
+C1CN(CCN1C)CC(c2ccccc2)O	170
+c1ccccc1COC(NC2CCC(N3CCN(CC3)C)CC2(C)C)=O	85
+C1CN(CCN1c2nc(C)c(s2)C(N(Cc3c4c(nc(c3)O)cccc4)c5ccccc5)=O)C	641
+C1CN(CCN1C(c2n[nH]c(-c3cnc(nc3)Oc4ccccc4)c2)=O)C	147
+C1CN(CCN1Cc2nc3c(o2)cc(cc3)-c4c5c(cc(F)cc5)n(S(=O)(=O)c6ccccc6)c4)C	960
+C1CN(CCN1Cc2oc3ccc(cc3n2)-c4c5c(cc(F)cc5)n(S(=O)(=O)c6ccccc6)c4)C	960
+C1CN(CCN1CCn2nc(c(c2)-c3ccncc3)-c4cccc(N(S(=O)(=O)c5c(F)ccc(F)c5)COC)c4F)C	1306
+C1CN(CCN1CC=Cc2cc3c(c(Nc4cc(c(Sc5n(C)ccn5)cc4)Cl)c(cn3)C#N)cc2)C	3857
+c1ncncc1-c2c(-c3ccc(cc3)NCCN4CCN(CC4)C)[nH]c5ncc(Cl)cc25	53
+C1CN(CCN1C)c2cc(-c3nc(sc3)Nc4cccc(c4)C)ccn2	323
+C1CN(CCN1C)c2c(F)cc3c(nc(cc3CO)O)c2	2074
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+C1CN(CCN1C2=Nc3c(N(c4cscc24)C)cccc3)C	6702
+FC(F)(F)c1c(ccc(NC2CCC(CC2)OCC(N3CCN(CC3)C(C4Oc5ccc(Cl)cc5C4)=O)=O)c1)[N+]([O-])=O	10
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+C1CN(CCN1C(CNC(=O)c2ccc(cc2)Oc3ccccc3)=O)C(c4ccc(cc4Cl)Cl)=O	30
+C1CN(CCN1CCn2ccc3c4nc(-c5occc5)nn4c(nc23)N)C(Cc6ccc(cc6F)F)=O	123
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+c1cc(ccc1N2CCC(CC2)O)NC(=O)N3CCN(CC3)C(=O)c4cccn4C	6703
+C1CN(CCN1C(=O)c2cccs2)c3c4c(ncc(c4)F)nc(c3C(=O)OCC)O	1635
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+C1CN(CCN1C=2c3ccccc3N(C(=O)C=2C#N)Cc4ccc(cc4)F)C(c5cccs5)=O	1636
+C1CN(CCN1C(c2cccs2)=O)c3c4c(nc(O)c3C#N)cccc4	264
+CC(C)(C)OC(N1CC(C1)N2CCN(CC2)C(c3sccn3)=O)=O	85
+FC(F)(F)c1csc(n1)N2CCNCC2	6704
+C1CN(CCN1C(C)(C)C(N)=O)Cc2nc3c(nc(Cl)nc3cc2)N4CCOCC4	596
+c1cc(ccc1Cl)OCC(N2CCN(CC2)C(C=3N(c4ccccc4O)C(c5c(cccc5)N=3)=O)C)=O	58
+C1CN(CCN1)C(C)C=2N(C(=O)c3c(cccc3)N=2)c4ccccc4O	5
+C1CN(CCN1)C(C)C=2N(c3c(OC)cccc3)C(=O)c4c(cccc4)N=2	6705
+C1CN(CCN1C(COc2ccc(cc2)Cl)=O)C(C=3N(C(=O)c4ccc(cc4N=3)[N+](=O)[O-])c5ccccc5OCC)C	10
+C1CN(CCN1C(C#Cc2cccc(c2)Cl)CC)C(=O)OCCOC	66
+C1CN(CCN1C(OCC(NC)=O)=O)c2ncc(cc2)[N+](=O)[O-]	43
+C1CN(CCN1C(OCC)=O)C2Cc3c(Sc4ccc(SC)cc24)cc(cc3)OC	1148
+C1CN(CCN1C=2c3c(ccc(C)c3)Oc4c(C=2)cc(cc4)C)C(OCC)=O	6706
+C1CN(CCN1C(OCC)=O)CCCCCCCCCC	123
+C1CN(CCN1C(OCC)=O)CCCCCCCCCCCCCCC	123
+C1CN(CCN1c2c(F)cc([N+](=O)[O-])c(F)c2CO)C(=O)OCC	34
+C1CN(CCN1C(=O)OCC)C2Cc3c(ccc(c3)C)Sc4ccccc24	1148
+c1cc(ccc1C(N2CCN(CC2)C(=O)OCC)c3c(cccc3)Cl)Cl	2073
+c1ccccc1N(c2ccccc2)CC(=O)N3CCN(CC3)C(c4ccc(cc4)Cl)c5ccccc5	10
+c1cc(ccc1)C(=O)N2CCN(CC2)C3(Cc4cccc(Cl)c4)c5ccc(cc5NC3=O)Cl	115
+C1CN(CCN1CCN2CCOC2=O)C3c4ccccc4Sc5c(C3)cc(cc5)C	53
+c1cc(ccc1F)C(CN2CCN(CC2)C(=O)c3cc(C)n[nH]3)=O	147
+C1CN(CCN1CC(=O)c2ccc(cc2)F)C(c3c4nccn4ccc3)=O	6707
+C1CN(CCN1CC(COc2ccc3c(nc(s3)C)c2)O)CC4CN(c5ccc(cc5)F)C(C4)=O	28
+C1CN(CCN1)CCN(C2CCc3ccc(OC)cc3C2)CCC	15
+c1cc(ccc1C=Cc2cccc(c2)-n3c(CC)c(C(=O)N4CCN(CC4)CC5CCN(CC5)C)c(CC)n3)Cl	1020
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+FC(F)(F)c1c(ccc(NC2CCC(CC2)OCC(=O)N3CCN(CC3)CC4Cc5ccccc5O4)c1)[N+]([O-])=O	10
+C1CN(CCN1C(=O)NC)CCC#C	2041
+C1CN(CCN1c2nc(ccc2)-c3nc4c(c(O)n3)c(OC)cc(OC)c4)CCC(=O)OC	361
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+C1CN(CCN1C(C)=O)CCCOc2cc(OC3CCOC3)c4c(ncnc4c2)Nc5cc(c(F)cc5)Cl	319
+C1CN(CCN1C(C)=O)CCCOc2cccc3c2CCC(=O)N3	319
+C1CN(CCN1C(=O)N2CC(C(C)Oc3ccc(cn3)Cl)C(c4cc(c(Cl)cc4)Cl)C2)CCN(C)C	776
+c1cc(ccc1N2CCN(CC2)CCN(C)C)C=O	34
+C1CN(CCN1)CCN(C2Cc3cc(ccc3CC2)O)CCC	5
+C1CN(CCN1Cc2ccc3c(cc[nH]3)c2)CCN(C4Cc5cc(O)ccc5CC4)CCC	48
+C1CN(CCN1c2ccnc3c2cccc3OC)CCN(C4Cc5cc(ccc5CC4)O)CCC	264
+CC(C)(C)OC(=O)N1CCN(CC1)CCO	23
+CC(C)(C)[Si](C)(C)OCCN1CCNCC1	19
+C1CN(CCN1CCO)C2Cc3c(c(OC)c([N+](=O)[O-])cc3)CCC2	85
+C1CN(CCN1CCO)c2cc(nc(C)n2)Cl	54
+C1CN(CCN1c2ncc(s2)C(OC)=O)CCO	641
+C1CN(CCN1CCO)CCCn2c3c(nc2OC)c(nc(OCCCC)n3)N	53
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCO	1109
+c1cc(ccc1C(=O)N2CCN(CC2)CCO)C(N3CCN(CC3)c4c(NC(C)C)cccn4)=O	30
+c1cc(ccc1COC(N2C(CC(C2)SCc3ccc(cc3)OC)C(N4CCN(CC4)CCO)=O)=O)[N+](=O)[O-]	10
+c1cc(ccc1SC)CN2CCN(CC2)CCO	171
+c1ccccc1-n2c(N3CCN(CC3)CCO)c(c4c2cccc4)C=O	2646
+C1CN(CCN1CCO)c2nnc3ccc(F)cn23	3632
+C1CN(CCN1CCO)c2nc(cnc2)NC(NCC)=O	317
+C1CN(CCN1c2cc(N)ncn2)CCOC	54
+C1CN(CCN1CCc2cc(Nc3ncc4CC(c5c(cccc5)-c4n3)c6c(cccc6)F)ccc2)CCOC	123
+c1cc(ccc1Cl)N2CCC(C2=O)CN3CCN(CC3)CCOCC#C	6708
+C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F	61
+C1CN(CCN1c2nc3c(cncc3)nc2Cl)Cc4ccc(cc4F)F	1322
+C1CC(CCC1)C(C)NC(c2c3ccccc3nc(c2CN4CCN(CC4)C(=O)Cl)-c5cccs5)=O	6709
+C1CN(CCN1Cc2cncc(C(=O)OC)c2)Cc3c(cccc3)F	48
+C1CN(CCN1C(=O)ON2C(CCC2=O)=O)Cc3ccc(Cl)cc3N4Cc5ncnn5CC4	613
+FC(F)(F)c1ccc(cc1)-c2nc(CN3CCN(CC3)Cc4ccc(c(OC)c4OC)OC)c(C)n2C	879
+C1CN(CCN1C(c2cc(ccc2)OCc3ccccc3)c4ccc(cc4)Cl)Cc5cccc(c5)C	2073
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+C1CN(CCN1C)Cc2nc3c(ccc(F)c3)cc2C(C)Nc4ncnc(N)c4C#N	1022
+C1CN(CCN1c2c(cc(-c3ccnc(c3)Cl)[nH]2)C(=O)N)C(OCc4ccccc4)=O	66
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+C1CNCCN1c2c(cc(c(N)c2)N)F	0
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cc3NC(=S)Nc3c2)F	23
+C1CN(CCN1CCC#N)c2cc(ccc2OC(C)C)F	987
+FC(F)(F)CCN1CCN(CC1)c2c([N+]([O-])=O)cc(c(c2)Cl)Cl	28
+C1CN(CCN1c2c(c(C)ccc2)C)CCC3CO3	28
+CC1(C)CC(C)(C)CC(c2c(cccc2C)N3CCN(CC3)CCC)=C1	61
+C1CN(CCN1Cc2cnc([nH]2)-c3ccccc3)c4c(cc(C(=O)OCC)c(n4)C)C#N	879
+C1CN(CCN1c2ccccc2OCCC)CCCCN3C(=O)NC(=O)c4c3cccc4	53
+C1CN(CCN1c2c(COC)cccn2)C(=O)C3Oc4ccccc4OC3	58
+C1CN(CCN1c2ccc(cc2)C#N)c3c(nc(nc3C)N)N	34
+C1CN(CCN1c2c3CCC(N4c3c(C(C(C(=O)O)=C4)=O)cc2F)C)Cc5ccc(cc5)[N+]([O-])=O	131
+C1CN(CCN1c2c3ccsc3ccc2)CCCOc4n(C)nc(C(=O)OC)c4	53
+CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCN(CC2)c3c4cc(ccc4on3)F	61
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+c1ccccc1S(=O)(=O)NC(CO)C(=O)N2CCN(CC2)c3cc(C)ccc3C	10
+C1CN(CCN1)c2ccnnc2N(C)C	1288
+C1CN(CCN1c2nc(-c3ccccc3)nc(c2)NCCNC(=O)C)C(=O)c4nc5ccccc5cc4	147
+C1CN(CCN1Cc2cc(cc(OC)c2O)[N+]([O-])=O)c3cc(O)ncn3	48
+C1CN(CCN1c2cc(ncn2)O)Cc3ccccc3C	48
+CC(C)(C)OC(N1CCN(CC1)c2cc([N+]([O-])=O)ccc2OC)=O	23
+c1cc(ccc1)C(c2ccccc2)CCN3CCN(CC3)c4cc(ccc4)C(=O)OCC	28
+C1C(CO1)N2CCN(CC2)c3ncc(-c4nc(OC(C5CNC(=O)C5)C)c6c(c4)ncn6C)cc3	85
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+CC(C)(C)n1c(cc(CCCN2CCN(CC2)c3ccc(c(c3)C)C)n1)-c4ccc(cc4)Cl	61
+C1CN(CCN1c2cc(OC)c(cc2)Nc3nc(-c4n5c(cccc5)nc4)c(cn3)Cl)C(CC)=O	58
+FC(F)(F)CCN1CCN(CC1)c2ccc(cc2)-c3cccc4c3-c5nc(N)nc(-c6ccc(cc6)F)c5C4=O	183
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+C1CN(CCN1CCC#N)c2ccc(cc2)OC	987
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+c1cc(ccc1OC)N2CCN(CC2)c3ccc(cc3)[N+]([O-])=O	202
+C1CN(CCN1c2ccncc2)c3ccc(cc3)OC	264
+C1CN(CCN1c2ccc(cc2)OCCOC)CCN3C4N=C5N(N)C=NC(=C5N4N(C)C3=O)c6ccco6	236
+CC1(C)Cc2c(C)c(N3CCN(CC3)c4c(OC)cc(OC)cc4)c(c(C)c2O1)C	79
+C1CN(CCN1C(OCC(=O)OCC)=O)c2ccc(cn2)Br	2655
+C1CN(CCN1c2ccc3cc(OC)ccc3n2)CC4Oc5c(ccc6c5ccc(C)n6)OC4	2510
+c1cc(ccc1)-c2ccccc2CN3CCN(CC3)c4cc(ccc4)C	3910
+CC(C)(C)OC(N1CC(CC1C(N2CCN(CC2)c3nc(ccc3)C)=O)CCNC(=O)C=C)=O	10
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2nc(ccc2)C)CCCCNC(C=C)=O)=O	10
+C1CN(CCN1CCCCOc2ccc3c(c2)NC(CCC3(C)C)=O)c4c(Cl)c(ccc4)Cl	28
+C1CN(CCN1c2c(Cl)c(ccc2)Cl)CC#N	1321
+c1ccccc1-n2c3c(c(ncn3)NCCCN4CCN(CC4)c5cccc(Cl)c5Cl)nc2-c6ccccc6	61
+C1CN(CCN1c2cc(ccc2)[N+](=O)[O-])CCC(OCC)=O	1877
+C1CN(CCN1c2cc(ccc2)[N+](=O)[O-])C(=O)c3ccccc3	115
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(c2)Br	23
+C1CN(CCN1C(=O)c2c([nH]cc2)-c3ccccc3)c4cccc(C#N)c4	211
+C1CN(CCN1c2cc(Cl)ccc2)C(c3c(C)c4c(ncnc4s3)O)=O	867
+C1CN(CCN1c2cccc(Cl)c2)CCCC(=O)c3cc4CCC(Nc4cc3)=O	53
+C1CN(CCN1CCCNC(=O)OCc2ccccc2)c3cccc(Cl)c3	28
+C1CN(CCN1CCC2CC(Nc3ccccc23)=O)c4cccc5c4cc(cc5)OC	53
+C[Si](C)(C)CCOCn1c2nc(nc(O)c2cc1)N3CCN(CC3)c4c(F)cccc4	117
+C1CN(CCN1c2c(cccc2)F)C(c3c4ccc(Cl)cc4[nH]c3)=O	211
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(O)cccc2	23
+C1CN(CCN1C(OCC(=O)OCC)=O)c2cnc(Br)cc2	2655
+C1CN(CCN1C(c2cc(C=C3SC(N4CCSCC4)=NC3=O)ccc2)=O)c5cccc(n5)Cl	30
+C1CN(CCN1Cc2nccc(OC)n2)c3nc4N(CCCc4c(O)n3)C	566
+C1CN(CCN1Cc2ncc(cc2F)F)c3nc4N(CCCc4c(O)n3)C	1309
+c1ccccc1CC(=O)N2CCN(CC2)c3ccc(c(Nc4ccc(cc4)C(N5CCOCC5)=O)n3)C(=O)N	58
+c1cnccc1-c2cc3[nH]c4c(c3c(c2)OC)nc(N5CCNCC5)nc4OCC	6711
+C1CNCCN1c2nc3ccc(Cl)cc3c4n2nnn4	6712
+C1CN(CCN1C(Nc2nnccc2)=O)c3ccnc(n3)-c4c(F)c(ccc4)F	2076
+C1CN(CCN1Cc2ccc[nH]2)c3ncc(cc3)NC(c4cccc(c4-c5ccc(cc5)C(C)C)C)=O	315
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3ccc([N+]([O-])=O)cn3	115
+c1cc(ccc1F)-c2nc(n(CC(=O)N3CCN(CC3)c4cc(OC)ccn4)n2)-c5ccc(cc5)F	10
+C1COC2(O1)CCCC(C(N3CCN(CC3)c4ncccc4)=O)C2	10
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCN3CCN(CC3)c4ncccc4)OC)OC	183
+C1CN(CCN1c2ncccc2)Cc3cc4ccc(C)cc4cc3	171
+c1cc(ccc1CO)N2C=C(C(OCC)=O)C(c3cc(c(c(Cl)c23)N4CCN(CC4)c5ccccn5)F)=O	34
+C1CN(CCN1c2ncccc2C(OCC)=O)CC3Oc4c(OC3)ccc(c4)F	236
+CC(C)(C)OC(NC(Cc1ccc(c(F)c1)Cl)C(N2CCN(CC2)c3c4c(ncn3)CSC4CC)=O)=O	10
+FC(F)(F)c1ccc(cc1C(N2CCN(CC2)c3ccc4nc(C(=O)OCC)cn4n3)=O)F	115
+C1CN(CCN1c2nnc(C(NCCC3CC3)=O)cc2)C(c4ccccn4)=O	147
+c1cc(ccc1)C(=O)N2CCN(CC2)c3nnc(C(NCCC4CC4)=O)cc3	115
+C1CN(CCN1C(=O)C(c2c[nH]c3c(Cl)ncc(OC)c23)=O)c4nnnn4-c5ccccc5	3911
+C1CN(CCN1C(=O)C(c2c[nH]c3c(ncc(F)c23)Br)=O)c4nnnn4-c5ccccc5	3911
+C1CN(CCN1c2noc3c2cc(cc3)C)CCN4C=Nc5c(c6CCN(Cc6s5)C)C4=O	53
+C1CN(CCN1c2oc(nn2)C3CCC4N(C(=O)N3C4)OCc5ccccc5)C	1022
+O=S(=O)(c1cccs1)N2CCN(CC2)c3sc(cn3)C(OC)=O	1147
+C1CN(CCN1C(C(c2c[nH]c3c(ncc(F)c23)-c4[nH]nc(C(OCC)=O)c4)=O)=O)c5nnnn5-c6ccccc6	6713
+C1CN(CCN1C(C(c2c3c(F)cnc(-n4nc(C)cc4)c3[nH]c2)=O)=O)c5nnnn5-c6ccccc6	6714
+C1CNCCN1c2ccc(cc2)N3C4CN(CC4CC3)C	526
+c1cc(ccc1CCc2ncc(cc2)N3CCN(CC3)C(=O)C)CN=[N+]=[N-]	1298
+C1CN(CCN1C(=O)C)c2ccc(nc2)CCc3ccc(cc3)CCl	229
+c1cc(ccc1)N2CCN(CC2)C(C3N(CC(OC)CC3C(=O)NO)C(=O)OC)=O	909
+c1cc(ccc1Cl)-c2n(C)c3ccc(cc3c2CCC(=O)N4CCN(CC4)c5c(OC)cccc5)Cl	144
+C1CN(CCN1C(=O)CN2c3c(OC2=O)cc(cc3)C#N)c4ccc(Cl)c(c4)OC	6715
+c1cc(ccc1F)N2CCN(CC2)C(Cn3cc(C(OCC)=O)cn3)=O	1114
+FC(F)(F)C(F)(F)C(F)(F)c1nn(CC(N2CCN(CC2)c3ccc(cc3)F)=O)c(C)c1N	1114
+c1cc(ccc1-c2c(Cl)c(nn2CC(N3CCN(CC3)c4ccc(cc4)F)=O)SC)F	1114
+c1cc(ccc1F)N2CCN(CC2)C(Cn3nccc3)=O	1114
+C1CN(CCN1C(CN2c3c(OC2=O)cc(-c4ncon4)cc3)=O)c5ccc(Cl)c(c5)OC	3912
+C1CN(CCN1C(=O)CN2c3c(OC2=O)cc(C(N)=NO)cc3)c4ccc(Cl)c(c4)OC	253
+C1CN(CCN1C(=O)CN2c3c(OC2=O)cc(OCC(=O)O)cc3)c4ccc(Cl)c(c4)OC	3
+c1cc(ccc1)CN2CCN(CC2)C(=O)Nc3nccc(c3)Oc4cnc([N+](=O)[O-])cc4	2077
+C1CNCCN1C(=O)Nc2c(cccc2)C(OC)=O	25
+C1CN(CCN1)C2Cc3cc(ccc3Sc4ccccc24)C	215
+c1cc(ccc1F)C(N2CCN(CC2)C(C)C)CN3CCN(CC3)C(OCC)=O	1148
+c12c(nc(n1)N3CCNCC3)ccccc2	215
+C1CNCCN1c2scc(n2)-c3ccccc3F	62
+C1CN(CCN1C(OCC2N(C)CCOC2)=O)c3ccc(F)cc3F	2078
+C1CN(CCN1c2ncc(cc2C3CC3)C4CC4)C(c5ccc(cc5S(=O)(=O)C)N6C(=O)OCC6)=O	2663
+C1CN(CCN1C)Cc2ccc([N+](=O)[O-])c(c2)[N+](=O)[O-]	162
+c1cc(ccc1C(OC)=O)C(=O)N2CCN(CC2)c3c(cccn3)NC(C)C	2392
+C1CN(CCN1C(c2ccc(cc2)N)=O)C	0
+c1cc(ccc1)C(=O)N2CCN(CC2)c3cc(c(C(=O)O)cc3)NCc4ccccc4	208
+C1CN(CCN1C(=O)c2ccccc2)c3ccc(C(=O)O)c(N)c3	0
+c1cc(ccc1)CN2C(=O)C(=C(c3cc(F)cnc23)N4CCN(CC4)C(=O)c5cccs5)C(OCC)=O	6716
+C1CN(CCN1C(c2c3c(cc(cc3)Cl)n(c2)CCNS(=O)(=O)C)=O)c4c(cccc4)F	111
+C1CN(CCN1C(C(CCCC(O)=O)NC(=O)c2ccc(cc2)F)=O)C	4
+c1cc(ccc1F)C2CC2NC(CCCC(NC(=O)c3ccc(cc3)F)C(=O)N4CCN(CC4)C)=O	9
+c1cc(ccc1C2C(NC(=O)CCCC(NC(=O)c3ccc(cc3)F)C(N4CCN(CC4)C)=O)C2)OC	9
+C1CN(CCN1C(C(c2c[nH]c3c(ncc(F)c23)-c4cc(n[nH]4)C(=O)O)=O)=O)c5nnnn5-c6ccccc6	6
+C1CN(CCN1CC(c2ccc(cc2)F)C=3CCN(C)CC=3)CCCCc4cccc5ccccc45	6717
+C1CN(CCO1)c2nc(nc3ccc(CN4CCN(CC4)C(C)(C)C(N)=O)nc23)-c5cnc(N)cc5	6718
+C1CN(CCN1C(C)=O)C(c2cc(ccc2)-c3c4cc(-c5cc(c(nc5)OC)C#N)ccc4ncn3)=O	391
+C1CN(CCN1C(C)=O)CCCOc2cc3c(c(ncn3)Oc4ccc5[nH]ccc5c4F)cc2OC	185
+C1CN(CCN1Cc2c(c(ncc2)N)C)C(C)=O	2664
+C1CN(CCN1C(C)=O)c2cc(C)c(N)c(c2)N	0
+C1CN(CCN1C(=O)C)c2cc3c([nH]c(-c4c(c5ccccc5nc4Cl)Cl)n3)c(C)c2	1637
+CC(C)(C)OC(=O)NCCNC(c1cc(-c2sc(Nc3nccc(N4CCN(CC4)C(=O)C)c3)nc2)cnc1)=O	56
+C1CNCCN1c2cc(c(NS(=O)(=O)C)cc2)C	526
+C1CN(CCN1C(C)=O)c2c(c(OC)c([N+](=O)[O-])cc2)OC	57
+C1CN(CCN1c2cc(C#N)c(cc2)Nc3nc(-c4n5c(cccc5)nc4)c(Cl)cn3)C(C)=O	55
+C1CN(CCN1c2cc(OC)c(cc2)Nc3nc(-c4n5c(cccc5)nc4)c(cn3)Cl)C(C)=O	55
+C1CN(CCN1C(C)=O)c2cnc(N)cc2	161
+FC(F)(F)c1cc(CC(Nc2ncc(N3CCN(CC3)C(C)=O)cc2)=O)ccc1Br	142
+FC(F)(F)c1c(-c2ccnc(c2)C)ncc(CC(Nc3ncc(N4CCN(CC4)C(C)=O)cc3)=O)c1	6719
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)I)=O	142
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(Nc3ncc(N4CCN(CC4)C(C)=O)cc3)=O	372
+c1cc(ccc1Nc2c3nccn3c(cn2)Br)N4CCN(CC4)C(C)C	1638
+C1CN(CCN1C(C23CCC4(C5(C)CCC6C(CCC(O)C6(C)C)(C5CCC4C2C(C(C)=C)CC3)C)C)=O)CC	59
+C1CC1CN2CCN(CC2)c3c(OC)ccc(N)c3	15
+C1CN(CCN1C(C2CCOCC2)=O)Cc3ccc4CN(CCc4c3)C(=O)COc5cnccc5	10
+C1CN(CCN1C)C(=O)CCc2cccc(c2)O	1320
+C1CN(CCN1C(c2cc(F)c(c(F)c2)F)=O)C(=O)CC(=O)O	3
+C1CN(CCN1C2CCC2)C(=O)CN3CCc4nc(O)ccc4C3	224
+C1CN(CCN1C(=O)CN2c3c(cc(cc3)OCC(OCC)=O)OC2=O)c4ccc(Cl)c(c4)OC	1845
+C1CN(CCN1)C(=O)CNC(=O)c2ccc(cc2)Oc3ccccc3	25
+C1CN(CCN1C(COC)=O)c2c3c(c(Cl)cc2C(N)C)cccn3	1354
+C1CN(CCN1C(COc2ccc(cc2)Cl)=O)C(C=3N(c4ccccc4OCC)C(=O)c5ccc(N)cc5N=3)C	0
+C1CN(CCN1C(COc2ccc(cc2)Cl)=O)C(C=3N(C(c4ccc(cc4N=3)NC(=O)C)=O)c5ccccc5OCC)C	125
+FC(F)(F)c1ccc(cc1)-c2cnc(N3CCN(CC3)C(OCC(OCC)=O)=O)cc2	89
+FC(F)(F)c1cc(-c2ccc(cn2)N3CCN(CC3)C(OCC(=O)OCC)=O)ccc1	119
+C1CN(CCN1C(OCC(NC)=O)=O)c2cnc(Br)cc2	271
+C1CN(CCN1C(OCC(C)C)=O)c2c3c(nc(-c4c(O)cccc4)n2)ccs3	5
+CC(C)Cc1ccc(N2CCN(CC2)C(OCC(NC)=O)=O)cn1	6720
+C1CN(CCN1c2ncc(cc2)N)C(OCC(NC)=O)=O	13
+C1CNCCN1C2c3cc(SC)ccc3Sc4c(ccc(OC)c4)C2	215
+C1CN(CCN1)CCCCCCCCCC	215
+C1CN(CCN1)CCCCCCCCCCCCCCC	215
+C1CN(CCN1C(=O)CN)C(OCCCC)=O	334
+c1cc(ccc1)COC(N2CCN(CC2)C(C(NC(c3cc4ccccc4s3)=O)CC(C)C)=O)=O	1816
+C1CC1C(=O)N2CCNCC2	62
+C1CN(CCN1)CC2CN(CCC2)CCCc3ccc(cc3)S(=O)(=O)C	62
+C1CN(CCN1c2c(cc([N+](=O)[O-])c(c2)NC(=O)c3ccc(cc3)OC)Cl)C(c4c(C)onc4-c5ccccc5OC)=O	50
+c1cc(ccc1)-c2ncc(NC(CC(=O)N3CCN(CC3)C(c4cc(F)c(c(F)c4)F)=O)=O)cc2	6721
+C1CN(CCN1C)C(=O)c2ccc(cc2)NC(=O)Nc3ccc(cc3)Br	124
+C1CN(CCN1C(c2ccc(cc2)Nc3nc(-c4ccc(F)cc4F)ccc3C(=O)N)=O)C	140
+c1cc(ccc1)C(N2CCN(CC2)CC(O)=O)=O	3
+C1CN(CCN1C=2c3c(cccc3)N(C(=O)C=2C#N)c4ccccc4)C(c5cccs5)=O	6722
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)C	17
+C1CC(CCC1)C(=O)N(CC2=Cc3ccccc3N(C)C2=O)CC4(N5CCN(CC5)C)COCCCC4	2614
+C1CN(CCN1C)C2CCC(CC2)n3cc(I)c4c3ncnc4N	869
+C1CN(CCN1C)C2CCC(CC2)n3c4ncnc(N)c4c(-c5c(cc(cc5)Oc6ccccc6)C)c3	1311
+c1nc(ncc1Br)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C	55
+C1CN(CCN1C)CC#Cc2cc3c(c(cnc3s2)C#N)Nc4cc(c(Cl)cc4Cl)OC	1990
+C1CN(CCN1CC(NN)=O)C	561
+C1CN(CCN1C)CC(OC)CNC(c2ccc(c3c2CCO3)Nc4nc5c(cn4)N(C)C(C(CC)N5C(C)C)=O)=O	14
+FC(F)(F)c1ccc(cc1)OC(c2ccccc2)CN3CCN(CC3)C	20
+C1CN(CCN1CCC2CC(CCC2(C3C(C4C(C(=C)CC4)(CC3)C)OC(=O)C)C)O)C	59
+Clc1cccc(Cl)c1-c2cc3c(nc(nc3)NCCCN4CCN(CC4)C)nc2N	6723
+C1CN(CCN1C)CCCNC(c2cc(Br)ccc2)=O	93
+c1cc(ccc1NCCCN2CCN(CC2)C)[N+](=O)[O-]	60
+c1cnccc1NC(c2cc(Nc3cccc(c3)C(NCCCN4CCN(CC4)C)=O)ccc2)=O	230
+c1cc(ccc1C)S(=O)(=O)OCCCN2CCN(CC2)C	36
+C1CN(CCN1C)CCCOc2ccccc2Nc3c4c(n(cn4)C5CCCC5)nc(C#N)n3	738
+C1CN(CCN1C)CCCc2c3CCCCc3[nH]c2C=C4C(=O)Nc5ccc(cc45)S(=O)(=O)CC	6724
+C1CN(CCN1C)CCNCc2c(N)ncc(c2)Br	249
+CC(C)(C)OC(=O)C=Cc1cnc2NC(=O)N(Cc2c1)CCN3CCN(CC3)C	1953
+C1CN(CCN1C)CCN2C(=O)Nc3ncc(Br)cc3C2	6725
+FC(F)(F)c1ccc(Cn2c3cccc(c3cn2)NC(=O)c4cnc5cc(OCCN6CCN(CC6)C)ccn45)nc1	466
+C1CN(CCN1Cc2ccc(N)c([N+](=O)[O-])c2)C	0
+C1CN(CCN1C)S(=O)(=O)c2cc(cs2)-c3c(nc(N)s3)C	1176
+C1CN(CCN1Cc2c(ccc(N)c2)N3CCN(CC3)C)C	0
+C1CC1N2c3c(cc(c(N4CCN(CC4)C)c3)F)C(=CC2=O)CO	6726
+O=S(=O)(Cc1c([N+](=O)[O-])c(N2CCN(CC2)C)cc(Cl)c1)c3ccc(cc3)F	1177
+C1CN(CCN1C)c2c3nc(-c4[nH]nc5c4ccc(Br)c5)[nH]c3ccc2	567
+CC(C)(C)OC(N1CCN(C(C)C1)c2ncc(c(OCCN3CCOCC3)c2)Br)=O	6727
+C1CN(CCN1C)c2cccc3OCC(Cc23)NC(=O)c4ccc(cc4)N5CCN(CC5)C(=O)C	58
+C1CN(CCN1c2nc(N)nc(N3Cc4c(ccc(Br)c4)CC3)c2)C	54
+c1cc(ccc1CNc2nc(F)cc(N3CCN(CC3)C)c2)OC	182
+C1CN(CCN1C)c2cc3c(cc2F)NC(=S)N3	1357
+FC(F)(F)C1(CC1)C(=O)NCc2cc(Nc3nc4c(cc(c(Cl)c4)N5CCN(CC5)C)n3C)c(cc2)Cl	1023
+CC(C)(C)OC(Nc1cccc(N2C(C(=Cc3c2nc(Nc4ccc(N5CCN(CC5)C)cc4OC)nc3)CC)=O)c1)=O	2607
+C1CN(CCN1C)c2ccc(Nc3nc4c(cccc4Br)cn3)c(OC)c2	744
+C1CN(CCN1C)c2cc3c(c(c2)F)C(=O)OC(Cc4ccc5OCOc5c4)=N3	2665
+C1CN(CCN1C)c2ccc(c(-c3ccccc3F)c2)NC(c4oc(cc4)C#N)=O	6728
+C1CN(CCN1c2ncc([N+]([O-])=O)c(Cl)c2)C	120
+c1c(F)cc(cc1Cc2ccc3c(c(NC(=O)c4c(cc(N5CCN(CC5)C)cc4)[N+]([O-])=O)[nH]n3)c2)F	394
+C1CN(CCN1c2cc(N3CCCC(F)C3)c(cc2)N)C	0
+C1CN(CCN1c2cc(cc(c2)Cl)C(=O)O)C	329
+c1nc(ncc1C#Cc2cccc(NC(=O)Nc3cc(cc(F)c3)N4CCN(CC4)C)c2)N	446
+CC1(C)OB(OC1(C)C)c2cccc(N3CCN(CC3)C)c2	2666
+c1cc(ccc1-c2ccc(nc2)N3CCc4ccc(cc4C3)-c5nc(N)nc(N6CCN(CC6)C)c5)C#N	361
+C1CN(CCN1C)c2cc3c(c(c2)C#N)N=CN(c4cc(ccc4C)C(=O)Nc5ccon5)C3=O	650
+C1CN(CCN1C)c2cc3c(c(c2)C#N)N=CN(C3=O)c4c(C)ccc(C(O)=O)c4	1
+c1cc(ccc1)-c2cc3c4ccc(N5CCN(CC5)C)cc4[nH]c3c(c2)C(=O)N	11
+FC(F)(F)COc1ccnc(CSc2nc3cc(N4CCN(CC4)C)c(F)cc3[nH]2)c1C	602
+O=S(=O)(Nc1cc(N2CCN(CC2)C)ccc1Br)c3ccc4ccccc4c3	69
+C1CN(CCN1C)c2ccc(c(OC)c2)Nc3ncc4cccc(-c5cccc(N)c5)c4n3	3738
+C1CN(CCN1C)c2cc(c([N+](=O)[O-])cc2)-c3ccccc3F	11
+C1CN(CCN1c2ccc(c(c2)CS(=O)(=O)c3cccc4ccccc34)N)C	0
+C1CN(CCN1C)c2ccc(cc2C=C)Nc3ncc(c(n3)Nc4c(N(S(=O)(=O)C)C)ccc(Br)c4)Cl	55
+C1CN(CCN1C)c2ncc(cc2)C(=O)NCc3ccccc3	56
+C1CN(CCN1C)c2ccc3c(c2)C(=O)N(C=C3)c4c(C)ccc(C(O)=O)c4	1
+C1CN(CCN1C)c2ccc3c(c2)c(c(C#N)c(n3)N)Cl	120
+C1CN(CCN1c2cc3c(NCc4ccccc4)c(c(N)nc3cc2)C#N)C	105
+C1CN(CCN1C)c2cccc3OCC(Cc23)NC(=O)c4ccc(cc4)N5CCN(CC5)Cc6ccccc6	14
+C1CN(CCN1C)c2c3CC(COc3ccc2)NC(=O)c4ccc(cc4)N5CCNCC5	25
+C1CN(CCN1C)c2cc(nc(N)n2)N3Cc4cc(-c5cc6N(C(COc6cc5)=O)C)ccc4CC3C	99
+C1CN(CCN1c2cc3n(c(CC)n2)c(CC)nn3)C	6729
+C1CN(CCN1C)c2nc3c(C(C(C(OCC)=O)=CN3CCCl)=O)cn2	1307
+C1CN(CCN1C)c2ccc(cn2)C(O)=O	1
+C1CN(CCN1C=2c3c(Nc4ccc(cc4N=2)CN)sc(c3)C)C	107
+C1CN(CCN1C2CC(C2)c3n4ccnc(N)c4c(n3)I)C(=O)C	522
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+C1CN(CCN1c2cc3c([nH]nc3S(=O)(=O)c4c5c(ccc4)cccc5)cc2)C	1025
+c1cc(ccc1Nc2nc3n(n2)cccc3-c4ccc(cc4)S(=O)(=O)C)N5CCN(CC5)C	490
+CC(C)(C)OC(N1CCN(c2c1cccc2)c3ccc(cc3)N4CCN(CC4)C(=O)OCc5ccccc5)=O	6745
+c1cc(ccc1N2CCN(CC2)c3c(nc(nc3C)N)N)C(OCC)=O	6746
+CC(C)(C)OC(=O)n1c2c(c(n1)NC(c3ccc(cc3)N4CCN(CC4)C)=O)ccc(OCCOCc5ccccc5)c2	330
+c1cc(ccc1C=NNc2ccc(cc2)-c3cn4c(ccc(c4)I)n3)N5CCN(CC5)C	878
+c1cc(ccc1Nc2ncc3cccc(c3n2)Br)N4CCN(CC4)C(O)C	744
+c1cc(ccc1Nc2nc(ccn2)CCc3c(CC(OC)=O)cccc3)N4CCN(CC4)C(=O)OCc5ccccc5	1359
+C1CN(CCN1c2ccc(cc2)Nc3ncc(cn3)CCc4cc(C(OC)=O)cc(OC)c4)CC	6747
+C1CN(CCN1c2ccc(cc2)Nc3ncc(cn3)CCc4cc(C(NOCCO)=O)cc(OC)c4)CC	1000
+C1CN(CCN1c2ccc(cc2)Nc3ncc(cn3)CCc4cc(OC)cc(C(O)=O)c4)CC	1
+CC(C)n1c(cnc1C)-c2nc(ncc2)Nc3ccc(cc3)N4CCNCC4	526
+c1cc(ccc1N2CCN(CC2)c3ccncc3)OCCCC(OCC)=O	8
+C1CN(CCN1c2ccc(cc2)OCCO)CCN3C4N=C5N(N)C=NC(=C5N4N(C)C3=O)c6ccco6	88
+C1CN(CCN1C(C)C)c2ccc(cc2)N	0
+C1CN(CCN1c2ccc(C(NC)=O)cn2)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3	56
+C1CN(CCN1c2ccc(cn2)Nc3ncc4c(n3)c(cs4)-c5cccc(c5)NS(=O)(=O)C)CC	2602
+C1CN(CCN1c2ncc(cc2)Nc3nc4c(c(N)n3)scc4-c5cc(ccc5)NS(=O)(=O)C)CC	2602
+C1CN(CCN1CCCC(O)c2cc3c(NC(=O)CC3)cc2)c4cccc(Cl)c4	74
+C1CN(CCN1c2cc(ccc2)NC)CC	621
+c1cc(ccc1)C(=O)N2CCN(CC2)c3cccc(Nc4ccccc4)c3	6748
+O=S(=O)(C)NC(c1ccc2NC(CC(C)(C)c2c1)c3cccc(N4CCN(CC4)c5c(cc(C)cc5)C)c3)=O	258
+C1CN(CCN1CCc2cc(ccc2)N(C)C(C)=O)c3cccc4c3ccc(C)n4	239
+C1CN(CCN1CCc2cc(ccc2)N3C(=O)c4cc(ccc4C3=O)C)c5c6c(nc(C)cc6)ccc5	668
+C1CN(CCN1c2cccc3c2ccc(C)n3)CCc4cc(NC(=O)C)ccc4	26
+C1CN(CCN1c2cccc3c2ccc(C)n3)CCc4cccc(NC(Cc5sccc5)=O)c4	26
+C1CN(CCN1c2cccc3c2ccc(C)n3)CCc4cccc(N)c4	0
+C1CN(CCN1CC(C)c2cccc(c2)N)c3cccc4nc(C)ccc34	0
+C1CN(CCN1c2n3c(ccc2)nc(C=O)c3)C	614
+c1ccccc1Oc2c(N3CCN(CC3)Cc4c(cccc4)-c5ccccc5)cccc2	3910
+C1CN(CCN1c2ccccc2OC)CCC(NN)=O	743
+C1CN(CCN1CCCNc2ncccc2)c3ccccc3OC	70
+C1CN(CCN1c2ccccn2)CC3CCCC(C3)=O	97
+C1CN(CCN1CCN(S(=O)(=O)c2cn(C)nc2)C)c3cccnc3Cl	6749
+C1CN(CCN1c2ccc(cc2)O)c3ccncc3	5
+C1CN(CCN1c2cnc(Cl)c3ccc(cc23)OC)C	137
+C1CN(CCN1c2n(c3cc(c(cc3n2)Cl)N)C(C)C)C	0
+C1CN(CCN1c2n(C(C)C)c3c(cc(c(c3)[N+](=O)[O-])Cl)n2)C	6750
+C1CN(CCN1c2n3c(nc(C(C)O)c3)ccc2)C	3920
+C1CN(CCN1c2nc(nc(N3Cc4c(CC3)ccc(c4)-c5cn(C)nc5)c2)N)C	320
+C1CN(CCN1c2c3c(cc(cc3)C(O)=O)nc(N)n2)C	1
+C1CC(CCN1c2nc(N3CCN(CC3)C(=O)CN4CCOCC4)ccc2[N+]([O-])=O)C	224
+C1CN(CCN1c2nc(ccc2)-c3nc4c(c(O)n3)c(OC)cc(OC)c4)CCC(=O)O	4
+C1CN(CCN1C(=O)OC(C)C)c2nc3c(-c4c(nccc4)F)cnn3cc2	6751
+CC(C)OC(=O)N1CCN(CC1)c2ccn3ncc(-c4ccccc4OC)c3n2	2673
+C1CN(CCN1C(=N)OC)c2nc3cc(c(OC)cc3c(N)n2)OC	2641
+C1CN(CCN1c2oc3ccc(C=O)cc3n2)C4CC4	1179
+C1CN(CCN1Cc2ccc(cc2F)F)c3c(nc4cnccc4n3)NC(C)C	1284
+C1CN(CCN1c2cc(c(N)cn2)CC(=O)OCC)C	13
+C1CN(CCN1c2ccc(cn2)C(O)=O)Cc3cc4NC(=O)C5CCCN5c4nc3	6
+C1CN(CCN1c2ccc(cn2)C(O)=O)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3	6
+C1CN(CCN1c2ccc(I)cn2)C(OCC(NC)=O)=O	3884
+C1CN(CCN1)c2ncc(NC(c3cccc(c3-c4ccc(cc4)C(C)C)C)=O)cc2	25
+C1CN(CCN1c2ccc(cn2)N)CC	13
+C1CN(CCN1CCO)c2sc(cn2)C(NO)=O	6752
+C1CN(CCO1)c2nc3N(c4ccnc(N5CCN(CC5)C)c4)CCc3c(-c6cccc(OC)c6)n2	6753
+C1CN(CCN1CC2Oc3c(OC2)ccc(c3)F)c4c(CO)cccn4	351
+CC(C)N(C(C)C)C(=O)c1ccc(C(N2CCN(CC2)c3ncccc3NCC)=O)nc1	211
+C1CN(CCN1c2ncccc2NCC)C(=O)c3ncc(C(=O)O)cc3	1
+C1CN(CCN1C(OCc2ccccc2)=O)c3ncccc3N	13
+c1cc(ccc1C=C2Sc3nc(N4CCN(CC4)c5ncccn5)ncc3NC2=O)[N+](=O)[O-]	1149
+C1CN(CCN1c2ncnc3CCN(CCc23)c4ccc(cc4)C(=O)C)C5CCC5	79
+C1CN(CCN1c2ncnc3c2CCN(C(c4ccccc4)=O)CC3)C5CCC5	115
+C1CN(CCN1c2ncnc3CCNCCc23)C4CCC4	25
+C1CN(CCN1c2nnc(cc2)-c3cc(N)ccc3)C4CC4	0
+c1cc(ccc1)C=CC(=O)Nc2c(CCN3CCN(CC3)c4nsc5c4cccc5)cccc2	324
+c1cc(ccc1N)CCN2CCN(CC2)c3nsc4c3cccc4	0
+C1CN(CCN1c2nnc(o2)C3N4C(=O)N(O)C(CC3)C4)C	2674
+C1CN(CCN1c2nc3cc(CN(C)C)ccc3o2)C4CC4	48
+C1CN(CCO1)C(C2CN(c3c4c(cccc4)nc(Cl)n3)CCC2)=O	54
+C1CN(CCO1)CCc2c(ccc(C)c2)[N+](=O)[O-]	15
+C1COCCN1CCc2cc(F)c(cc2)[N+]([O-])=O	15
+C1CN(CCO1)CCc2cn(CC)c3cc(cc(O)c23)F	15
+C1CN(CCO1)C(=O)N2CCN(CCC2)c3nc(N)c4c(n3)cc(OC)c(O)c4	16
+FC(F)(F)c1c(NC)nc(nc1)Nc2c(cc(C(=O)N3CCOCC3)c(C)c2)Cl	55
+FC(F)(F)c1ccc(Nc2c3ccn(C)c3c(cn2)C(=O)N4CCOCC4)c(C)c1	1504
+C1CN(CCO1)C(=O)c2c(cc(N)c(Cl)c2)C	0
+C1CN(CCO1)Cc2ccc(-c3cc(-c4nnn(c4)C(C)C)c(nc3)N)cc2C	162
+C1CN(CCO1)C(=O)c2sc(cc2)-c3nc(ncc3)S(=O)(=O)C	528
+C1CN(CCO1)Cc2ccc(cc2)-c3[nH]c4ncc(c(c4n3)I)Cl	162
+C1CN(CCO1)C(=O)c2ccc(cc2)N=C3C(=O)N(C=C(N3)c4cccc(c4C)N)C	6754
+c1cc(ccc1Nc2c3n(ccn3)cc(-c4cc(C(=O)O)ccc4)n2)C(N5CCOCC5)=O	356
+C1COCCN1C(=O)c2c(c3c(cc(c(c3)O)O)s2)CBr	5
+CC1(C)Cc2[nH]nc(-c3cc4c(cc(N(C)C(=O)C(C)N5CCOCC5)cc4)[nH]3)c2CC1	429
+C1CN(CCO1)C(C2CN(c3c4ccccc4nc(NCc5ccccc5Sc6ccccc6CO)n3)CCC2)=O	798
+C1CN(CCO1)C(=O)CCc2ccc(c(c2)-c3nc(O)c4c(nn(CCC)c4n3)C)OCCC	1320
+CC(C)CNCC(=O)N1CCOCC1	1229
+C1CN(CCO1)C(COc2cc(ccc2)N)=O	0
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(nc4ccccc34)-c5cc(ccc5)NC(N6CCOCC6)=O)c2	2083
+CC(C)(C)OC(NCCNC(=O)N1CCOCC1)=O	2675
+C1COCCN1C(=O)Oc2c(cccc2OCC=C)C(=O)C	2047
+C1CN(CCO1)C(NC2CCCC(Nc3nc(ncc3F)-c4cn(c5ncc(cc45)F)S(=O)(=O)c6ccc(cc6)C)C2)=O	2675
+C1CN(CCO1)C(Cn2c(Br)c(c3ccc(C(=O)O)cc23)C4CCCCC4)=O	1
+C1CN(CCO1)C(Cn2c(-c3ccc(cc3)C(=O)C)c(c4c2cc(cc4)C(O)=O)C5CCCCC5)=O	2549
+C1CN(CCO1)C(=O)N2CCN(CCC2)c3nc(N)c4c(cc(c(OCc5ccccc5)c4)OC)n3	549
+C1CN(CCO1)C(NC2CCCC(Nc3c(cnc(n3)-c4c[nH]c5ncc(cc45)F)F)C2)=O	392
+FC(F)(F)c1c(NC2CC2)nc(Nc3cc(c(cc3O)C(N4CCOCC4)=O)F)nc1	55
+C1CN(CCO1)C(=O)c2sc3c(cc(c(c3)O)OC)c2CBr	5
+C1CN(CCO1)C(c2c(F)cc(c(O)c2)N)=O	5
+C1CN(CCO1)C(c2cccc(c2)-c3cc4c(c[nH]c4nc3)I)=O	1361
+c1cc(ccc1S(=O)(=O)n2cc(I)c3c2ncc(-c4cccc(c4)C(=O)N5CCOCC5)c3)C	276
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(Cl)cc(cc2)Cl)=O)N3CCOCC3	93
+C1COCCN1C2CCN(CC2F)c3cccc(-c4n(C)c5ccccc5n4)c3	79
+C1CN(CCC1N2CCOCC2)C(c3ccc(-c4ccnc(c4C#Cc5ccc(N)nc5)CC)cc3Cl)=O	30
+C[Si](C)(C)c1c(c(C=O)c(cc1F)Cl)F	3921
+O=Cc1c(F)cc(C)cc1Cl	3921
+c1cc(ccc1-c2cc(F)c(C=3[Se]C(C=O)=CC=3)cc2)CC	3606
+CC(C)(NC(Cn1c(cc(-c2cnn[nH]2)n1)Cc3ccc(cc3)F)=O)CN4CCOCC4	6755
+c1cc(ccc1-c2ccc(cc2)C(OCC)=O)C(N(C)C(=O)CN3C(COc4cc(c(Cl)cc34)Cl)=O)CN5CCOCC5	10
+FC(F)(F)c1cc(cc(NC(=O)C)c1)CCCN2CCOCC2	2676
+C1CN(CCO1)CCC(c2cc(-c3ccnc(c3)N)ccc2)=O	6756
+C1CN(CCO1)CCCCCCCCCCCCN	3922
+C1CN(CCO1)CCCCCCCCN	3922
+CC(C)(C)C1N2C(c3cc(OC)c(OCCCN4CCOCC4)cc3C1)=CC(=O)C(C(OCC)=O)=C2	72
+C1CN(CCO1)CCCOc2c(cccc2OC)C=O	72
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)OCCCN3CCOCC3	72
+C1COCCN1CCCNC(=O)c2cccc(-c3cc(-c4cc(C)c(cc4)O)nc(O)n3)c2	14
+C1CN(CCO1)CCCNc2nc3cc4c(cc3[n+]([O-])n2)OCCC4	1888
+c1c(Cl)c(c(cc1)Cl)Cc2n(c3ccccc3n2)Cc4ccc(cc4)C(NCCCN5CCOCC5)=O	14
+C1CN(CCO1)CCCNC(Nc2snc(-c3ccc(cc3)[N+](=O)[O-])c2C#N)=O	238
+c1cc(ccc1-c2c(C)ccc(NC(=O)c3ccoc3)c2)C(=O)NCCCN4CCOCC4	14
+C1COCCN1CCCN(C)Cc2ccc(c(Nc3sc(c(-c4cccc(c4)Cl)n3)C(N)=O)c2)[N+]([O-])=O	48
+C1CN(CCO1)CCCNC(Nc2snc(c2C(=O)N)-c3ccc(cc3)N)=O	0
+C1CN(CCO1)CCCNC(Nc2c(c(-c3ccc(cc3)[N+](=O)[O-])ns2)C(=O)N)=O	1856
+FC(F)(F)c1cc(c(cc1)F)NC(=O)Nc2ccc(cc2)-c3nsc(c3C(=O)N)NC(=O)NCCCN4CCOCC4	124
+C1CN(CCO1)CCCNC=2[N+](=O)c3cc4CCCOc4cc3N(N=2)[O-]	6757
+C1CN(CCO1)CCCOc2cc3ccc(C#C)cc3cc2	20
+c1cc(ccc1C)S(=O)(=O)OCCCN2CCOCC2	36
+c1ccccc1COc2ccc(cc2)-c3cc(nnc3CCCC)OCCCN4CCOCC4	485
+c1ccccc1CCNCc2c(OCCCN3CCOCC3)c(OC)ccc2	1172
+C1CN(CCO1)CCCOc2c(cc3c(c2)ncnc3N(c4ccc(F)c(c4)Cl)C(C)=O)N	0
+C1CN(CCO1)CCCOc2c(C=NCCc3ccccc3)cccc2OC	853
+C1CN(CCO1)CCCOc2c(ccc(C)c2)O	5
+C1CN(CCO1)CCCOc2cc(c(cc2)C)N	0
+C1COCCN1CCCOc2cc3c(c(Oc4cc(n[nH]4)-c5cc(c(cc5)OC)OC)ncn3)cc2OC	6758
+C1CN(CCO1)CCCOc2c([N+]([O-])=O)cc3c(N(C(C)=O)c4ccc(F)c(c4)Cl)ncnc3c2	3292
+C1CN(CCO1)CCCOc2c(c(c(cc2)C3=NCCN3)N)OC	3923
+C1CN(CCO1)CCCOc2ccc(C#N)c(N)c2OC	0
+C[Si](C)(C)c1nn(-c2ccc(cc2)OCCN3CCOCC3)c(C(=O)OCC)c1	72
+C1CN(CCO1)CCn2c3cc(Cl)ccc3cc2C	1277
+O=S1(=O)CCCN1c2ccc(cc2)-c3c(c4c(cc(OCCN5CCOCC5)cc4)n3CC)C#N	72
+C1COCCN1CCn2c(C)cc3cccnc23	3924
+C1CN(CCO1)CCOc2ccc([N+](=O)[O-])c3ccccc23	72
+C1CN(CCO1)CCOc2c(ccc([N+]([O-])=O)c2)OC	72
+c1cc(ccc1-c2cn3c4c(sc3n2)cc(cc4)OCCN5CCOCC5)[N+](=O)[O-]	72
+C1CN(CCO1)CCCn2ccc3c(N)cccc23	0
+C1COCCN1c2nc3sc4c(ncnc4NCCN5CCOCC5)c3c6CC(C)(C)N(Cc26)C	3925
+CC(C)(C)ON=C1c2c(OC(=C1)c3ncn4c(c3)ccc4)ccc(c2)C(=O)NCCN5CCOCC5	14
+C1CN(CCO1)CCN2CC(OC2=O)CO	6759
+C1CN(CCO1)CCNc2ncc3ncc(c(c3c2)Nc4cccc(C(C)C)c4)C#N	182
+C1CN(CCO1)CCNC(=O)Nc2ccc3c(c2)ccc(n3)NC4CCc5c4cccc5	675
+O=S(=O)(c1c[nH]c(C(=O)c2c(nccc2)Cl)c1)NCCN3CCOCC3	1362
+C1COCCN1CCNC(=O)c2cc(c([nH]2)C=O)C	81
+C1CN(CCO1)CCNC(c2cccc3cc(ccc23)O)=O	14
+C1CN(CCO1)CCNc2c3c(c(ccc3)-c4c(cc(cc4C)C)C)nc(C)c2	105
+c1cc(ccc1Nc2nc3c(C=C(c4c(cccc4Cl)Cl)C(N3C)=O)c(N)n2)NCCN5CCOCC5	250
+C1CN(CCO1)CCNC(=O)c2c(Nc3ccc(I)cc3F)cnc(Br)c2	14
+C1CN(CCO1)CCNc2nccn3c(cnc23)-c4nc(ccc4)Br	3926
+C1CN(CCO1)CCNC(=O)Nc2nc3c(cc(cc3)SC#N)s2	238
+c1cc(ccc1OCCNCCN2CCOCC2)Cc3ccc(cc3)-c4occn4	1918
+C1CN(CCO1)CCNC2=C(c3ccccc3)S(=O)(=O)N(CCCC)C2=O	1904
+c1nc(ncc1Br)NCCN2CCOCC2	96
+C1CN(CCO1)CCNc2ncc(cn2)NC(c3cc(ccc3C)[N+]([O-])=O)=O	6760
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CC4OC(N(CCN5CCOCC5)C4)=O	6761
+C1CN(CCO1)CCN2C(OC(COS(=O)(=O)c3ccc(cc3)C)C2)=O	6762
+C1CN(CCO1)CCNc2nc3cnc4c(c3n2C(C)COC)cc(OC)c(-c5c(noc5C)C)c4	6763
+C1CN(CCO1)CCNC(=O)Nc2nc3ccc(S)cc3s2	1180
+C1CN(CCO1)CCNC(=O)c2ccc3cc([nH]c3c2)C(=O)N4c5c(ccc([N+](=O)[O-])c5)C(CCl)C4	2677
+C1CN(CCO1)CCNC(c2cccc3c2ccc(Oc4nc(ncc4)Cl)c3)=O	185
+C1CN(CCO1)CCNc2c(cccc2C=O)F	39
+CC(C)(C)CCN=Cc1c(NCCN2CCOCC2)c(ccc1)F	853
+C1CN(CCO1)CCNc2c(CO)cccc2F	98
+CC(C)(C)OC(=O)NCCC(c1ccccc1)Nc2nccc(n2)-c3n[nH]c4nc(NCCN5CCOCC5)ncc34	435
+CC(C)(C)c1cc(no1)NC(Nc2ccc(cc2)-c3c4cnc(nc4n(C)n3)NCCN5CCOCC5)=O	446
+C1CN(CCO1)CCNc2ncc(cn2)C#Cc3c(C)ncc(c3)NC(c4cc(ccc4)C(C#N)C)=O	487
+C1CN(CCO1)CCNc2nc3n(C)nc(c3cn2)-c4ccc(cc4)N	6764
+CC(C)(C)OC(NCCC(c1cc(Cl)ccc1)Nc2nc(-c3n4ccnc(c4nc3)NCCN5CCOCC5)ccc2)=O	340
+c1cc(ccc1C(N)=O)C(=O)C=Cc2cc(-c3cccs3)c(OC)cc2OCCN4CCOCC4	307
+c1c(C)c(c(cc1-c2nc(O)c3c(OC)cc(OC)cc3n2)C)OCCN4CCOCC4	748
+C1CN(CCO1)CCOc2cc(ccc2O)[N+](=O)[O-]	5
+C1CN(CCO1)CCOc2c3ccccc3c(NC(c4cc(-c5ccc(cc5C)F)ccc4)=O)cc2	11
+C1CN(CCO1)CCOc2c3ccccc3c(NC(c4cc(-c5c(cccc5)F)ccc4)=O)cc2	11
+C1CN(CCO1)CCOc2c(O)ccc(N)c2	0
+CC(C)(C)OC(N1CC(N(c2cc(OCCN3CCOCC3)ccn2)CC1)C)=O	43
+C1CN(CCO1)CCOc2c(cc3c(c(Nc4c(cc(Cl)c(OC)c4)Cl)c(cn3)C#N)c2)F	179
+C1CN(CCO1)CCOc2ccc(NC(=O)c3cccc(c3)OC)cc2-c4ccnn4C	50
+C1CN(CCO1)CCOc2ccc(c3c2cccc3)N	0
+C1CN(CCO1)CCOc2ccc(N)cc2-c3n(C)ncc3	0
+CC(C)(C)c1cc(c(c(c1)NC(C(=O)c2c3ccccc3c(cc2)OCCN4CCOCC4)=O)OC)Cl	2678
+C1CN(CCO1)CCOc2c3ccccc3c(NC(c4cccc(Br)c4)=O)cc2	67
+C1CN(CCC1O)c2cc(C(=O)Nc3ccc(c4ccccc34)OCCN5CCOCC5)ccn2	43
+C1CN(CCO1)CCc2cc(ccc2N)C	0
+C1COCCN1CCn2c(C)c(c3ccc(cc23)Cl)C(=O)c4c5c(cccc5)c(cc4)C	787
+C1CN(CCO1)Cc2[nH]c3cccc4C5CC(CN(C#N)C5Cc2c34)COC	21
+C1CN(CCO1)Cc2[nH]c3c4c(C5CC(CO)CN(C#N)C5Cc24)ccc3	88
+C1CN(CCO1)Cc2cc(ccc2)-c3cncc4cc(oc34)C=C5C(=O)NC(=O)S5	2025
+C1CN(CCO1)Cc2cc(c([N+](=O)[O-])cc2)N	2609
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2F)CN3CCOCC3	17
+C1CN(CCO1)Cc2cc(c(cc2)N)N	0
+C1CN(CCO1)Cc2cc(-c3cncc4c3oc(C=O)c4)ccc2	2084
+C1CN(CCO1)Cc2cc3C(C(C(NCc4ccc(cc4)Cl)=O)=CN(C)c3cn2)=O	1267
+CC(C)(C)OC(N1CC(C1)Oc2cc(c(cc2)CN3CCOCC3)OC)=O	624
+c1cc(ccc1C=NNc2ccc(cc2)-c3cnco3)CN4CCOCC4	878
+C1CN(CCC1N2CCCCC2)c3ccc(cc3)CN4CCOCC4	85
+c1cc(ccc1Sc2ccc(cc2)C(=O)NC(C(O)C)C(=O)OC)CN3CCOCC3	259
+C1CN(CCO1)Cc2ccc(cc2)Sc3ccc(cc3)C(=O)O	1
+c1cc(ccc1)-c2oc(C(N3CC(C3)Oc4cc(c(cc4)CN5CCOCC5)OC)=O)nn2	3618
+c1cc(ccc1)CC(NC(=O)c2cccnc2-n3nc(CN4CCOCC4)cc3)C(=O)C(N)=O	1363
+C1CN(CCO1)Cc2ccn(-c3c(C(O)=O)cccn3)n2	6
+C1CN(CCO1)Cc2ccn(-c3c(C(=O)NC(Cc4ccccc4)C(C(=O)N)O)cccn3)n2	56
+C1COCCN1Cc2ccc(o2)C(=O)Nc3sc4c([nH]nc4n3)-c5c(cccc5)Br	6765
+C1CN(CCO1)S(=O)(=O)c2cccc(c2)C(=O)OC	47
+C1CN(CCO1)S(=O)(=O)c2cc(ccc2)C(NN=C(C)c3c(ccc(Cl)c3)Cl)=O	2085
+O=S(=O)(N1CCOCC1)c2cc(ccc2)C(NN=C(c3c(F)c(Cl)ccc3)C)=O	2085
+C1CN(CCO1)S(=O)(=O)c2ccc(cc2)C=Cc3cc(O)c(cc3)O	241
+CC(C)(C)c1cc(Nc2n(C)c3c(cc(Nc4ccnc(n4)Nc5cccc(c5)S(=O)(=O)N6CCOCC6)cc3)n2)no1	55
+C1CN(CCO1)S(=O)(=O)c2cccc(N)c2	0
+C1CN(CCO1)S(=O)(=O)c2cc(ccc2)C(NN)=O	296
+C1CN(CCO1)c2ccc(-c3nc(no3)-c4ccccc4OC)cc2C	910
+CC(C)(C)OC(N(Cc1c(ccc([N+]([O-])=O)c1)N2CCOCC2)C)=O	23
+C1COCCN1c2c(COc3cccc(O)c3C=O)cccn2	241
+C1CN(CCO1)c2c(OC)nnc(c2)Cl	485
+n1cc(cnc1C(C)Nc2nc(Nc3cc(n[nH]3)C)c(c(N4CCOCC4)n2)F)F	3927
+C1COCCN1c2c(OC(C)C)ncc(Br)c2	430
+C1COCCN1c2c(nnc(-c3c(C)ccc(c3)N)c2)OC	746
+C1COCCN1c2c(OCCOC3CCCCO3)ncc(c2)-c4c(C)ccc(c4)N	156
+C1COCCN1c2cnc(N3CCOCC3)c([N+]([O-])=O)c2	3631
+C1CN(CCO1)c2c(c(c(s2)C(O)=O)C(c3cc(c(Cl)cc3)Cl)CCO)C#N	6
+C1CN(CCO1)c2c(c(nc(-c3cc(ccc3)OCC(CNC)O)n2)NC4COCC4)C	122
+C1CN(CCO1)c2c(c(nc(-c3cc(ccc3)OCC4OC4)n2)NC5COCC5)C	72
+C1CN(CCO1)c2c(C)cc(C(O)=O)cc2	1
+C1COCCN1c2ccc(C=Cc3n[nH]c4ccccc34)cc2[N+](=O)[O-]	6766
+C1COCCN1c2c(cccc2)OCC(=O)OCC	52
+c1ccccc1Oc2nc(c(nc2)N)N3CCOCC3	6767
+C1CN(CCO1)c2c3c(c4c(sc5c(Cl)ncnc45)n2)CC(C)(C)N(C)C3	2679
+C1COCCN1c2c3ccc(-c4cccc(c4)S(=O)(=O)C)cc3nc(n2)-c5ccc(nc5)N	1323
+C1COCCN1c2nc(Cl)nc3n(c(nc23)C=O)CC	6768
+C1CN(CCO1)c2nc(nc3c2cc(cc3OCCO)-c4c(c(ccc4)NS(=O)(=O)CCC)F)-c5ccc(N)nc5	1323
+C1CC(CCN1C)N(c2sc3c(nc(-c4cnc(N)cc4)nc3n2)N5CCOCC5)C	6769
+c1cc(ccc1)OC(Nc2nc3c(OC)cnc(N4CCOCC4)c3s2)=O	810
+C1CN(CCO1)c2c3nc(CN4CCN5CCOCC5C4)n(C6OCCCC6)c3nc(Cl)n2	566
+C1COCCN1c2nc(nc3sc(C=O)cc23)Cl	968
+CC(C)(C)OC(=O)Nc1ncc(cn1)-c2nc3c(c(N4CCOCC4)n2)ncc(-c5cccc(c5)N)c3	2680
+CC(C)(C)OC(=O)Nc1ncc(cn1)-c2nc(c3ncc(cc3n2)-c4ccc(cc4)C(=O)NC5CC5)N6CCOCC6	2680
+C1COCCN1c2nc(nc3cc(sc23)CO)Cl	1364
+C1COCCN1c2c3c(cc(CN4CCC5(CC4)CNC5=O)s3)nc(Cl)n2	509
+FC(F)(F)S(=O)(=O)N1CCN(CC1)Cc2cc3c(c(N4CCOCC4)nc(Cl)n3)s2	509
+C1COCCN1c2c3sc(cc3nc(Cl)n2)CNC	1466
+C1CN(CCO1)c2nc(nc3cc(sc23)-c4cc(ccc4)C(=O)O)Cl	6770
+C1CN(CCO1)c2cc(c3c(n(c(n3)C)Cc4cc(ccc4)Cl)c2)Br	505
+C1COCCN1c2cc(B(O)O)c3c(c2)n(c(n3)CF)Cc4cccc(Cl)c4C	6771
+C1COCCN1c2nc(-c3ccccn3)nc(c2)CNC(C)C	1279
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1[N+](=O)[O-])N2CCOCC2	19
+c1cc(ccc1OC)COc2cc(cc(Cl)n2)N3CCOCC3	91
+Fc1cc(cc(F)c1N)N2CCOCC2	0
+C1COCCN1c2ccc(c(Nc3c4c(nc(-c5ccccc5F)c3C)cccc4)c2)C#N	179
+C1COCCN1c2cc(N)c(C3=NCCN3)cc2	2086
+FC(F)(F)c1[nH]c2c(c(cc(c2)N3CCOCC3)C(=O)OC)n1	1640
+C1COCCN1c2cc3c([nH]c(n3)C(F)F)c(C(=O)OC)c2	442
+C1CN(CCO1)c2ncc(I)c(N)c2	625
+C1CN(CCO1)c2c3c(nc(N)s3)c(cn2)OC	3928
+C1CN(CCO1)c2cc(c(C(=O)N)c(C)c2)S(=O)(=O)CC	2681
+c1cc(ccc1CNC(=O)c2c(cc(cc2C)N3CCOCC3)S(=O)(=O)CC)Cl	6772
+C1CN(CCO1)c2nc(c(c(c2)C(=O)OC)N)N	13
+c1cc(ccc1CNC(=O)c2c(O)cc(cc2F)N3CCOCC3)Cl	5
+C1CN(CCO1)c2cc3c(nc(C)n3Cc4cc(ccc4)Cl)c(B(OC)OC)c2	6773
+C1COCCN1c2nc(c([N+]([O-])=O)c(Cl)c2)Cl	1026
+C1COCCN1c2cc(cc(N3CCOCC3)c2)N	0
+C1CN(CCO1)c2cc(N)ccn2	0
+CC(C)(C)OC(N1CCC(CC1)(S(=O)(=O)C)c2cc(N3CCOCC3)nc(n2)Cl)=O	1365
+CC1(C)c2c(N(c3c4c(ccc(Cl)c4)nc5C(C)(C)CCc35)C1)cc(N6CCOCC6)cc2	6774
+C1COCCN1c2ccc3c(c2)N=C(N)C4CCCC34	6775
+C1CN(CCO1)c2cc3c(c4c(c(cc(-c5cnn(C)c5)n4)C(=O)N)[nH]3)cc2	6776
+C1CN(CCO1)c2cc3c(cc2)c4nc(cc(C(=O)N)c4[nH]3)-c5cc(cnc5)C	6777
+C1COCCN1c2cc3n(Cc4cc(ccc4)Cl)c(C)nc3c(B(O)O)c2	493
+C1CN(CCO1)c2cc3c(nc(C)n3Cc4cc(ccc4)Cl)c(B(OC)O)c2	493
+C1COCCN1c2cc3c(nc(C)n3Cc4cccc5c4cccc5)c(C(=O)O)c2	1
+C1CN(CCO1)c2ccc(Nc3ncc(Br)n4ncnc34)c(c2)F	6778
+C1COCCC1Oc2ccc(cc2C#N)-c3ccnc(Nc4ncc(cc4)N5CCOCC5)n3	1618
+C1CN(CCO1)c2ccc(c(c2)F)Nc3c4ncnn4c(cn3)-c5c[nH]nc5	6779
+C1COCCN1c2ccc(c(C=O)c2)[N+](=O)[O-]	494
+C1COCCN1c2c(cc(N)cc2)C	0
+C1COCCN1c2cc(C(NC)=O)c(N)cc2	0
+C1COCCN1c2ccc(OC)c3nc(-c4[nH]c5ccccc5n4)sc23	6780
+C1CN(CCO1)c2ccc(c3c2sc(NC(Cc4ccccc4)=O)n3)OC	290
+c1cc(ccc1)OC(=O)Nc2sc3c(ccc(OC)c3n2)N4CCOCC4	810
+c1ccccc1C=2CCN(CC=2)C(=O)c3cc([N+](=O)[O-])ccc3N4CCOCC4	6781
+C1CN(CCO1)c2ccc(cc2C(Cl)=O)[N+]([O-])=O	82
+c1c(OC)c(c(cc1Nc2nn3c(nc(C)c3cn2)-c4cc(Nc5cc(Cl)c(N6CCOCC6)cc5)ccc4)OC)OC	230
+C1CN(CCO1)c2ccc(cn2)Nc3c(C(N)=O)c(N)[nH]n3	6782
+C1CN(CCO1)c2ccc(cn2)Nc3[nH]nc(c3C(N)=O)NCc4ccc(cc4)O	811
+C1CN(CCO1)c2cc3c(C4CCCC4C(=S)N3)cc2	199
+C1CN(CCO1)c2ccc3N(C(=O)C)C(C(C(Nc4ncc(cc4)C#N)c3c2)C)C5CC5	340
+C1CN(CCO1)c2cc3c(cc2)c4nc(Br)cc(C(=O)N)c4[nH]3	2682
+C1CN(CCO1)c2nc(NC(=O)c3n4c(nc3)ccc(-c5c(cccc5)OCC6OC(C)(C)OC6)n4)ccc2	2683
+C1CN(CCO1)c2cc(ccc2)Oc3cc(c(Nc4cc(OC)c(cc4F)F)nc3)F	201
+C1CN(CCO1)c2cccc(Oc3cnc(cc3)Nc4ccc(F)c(OC)c4F)c2	201
+C1CN(CCO1)c2c(cccc2)O	5
+C1CN(CCO1)c2cc(c(nc2)N3CCOCC3)Nc4c(C)c(-c5ccccc5S(=O)(=O)C)nc6c4c(F)cc(F)c6	1332
+C1CN(CCO1)c2ncc(cc2Nc3cc(nc4cc(cc(c34)F)F)-c5ccccn5)N6CCOCC6	1332
+C1CN(CCO1)c2ncc(cc2Nc3c(CC)c(-c4ccccn4)nc5cc(cc(F)c35)F)N6CCOCC6	1332
+CC(C)(C)OC(N1CCN(CC1)c2nc3c(c(c2C)Nc4cc(cnc4)N5CCOCC5)c(cc(F)c3)F)=O	1332
+O=S(=O)(c1cnccc1)N2CCN(CC2)c3nc4c(c(Nc5cc(cnc5)N6CCOCC6)c3C)c(cc(F)c4)F	1027
+c1cc(ccc1O)C=NNc2nc3cc(-c4ccccc4)nn3c(N5CCOCC5)c2	878
+C1COCCN1c2cc(NN=Cc3ccc(cc3)Cl)nc4cc(-c5ccccc5)nn24	878
+C1CN(CCO1)c2sc(c(-c3cccc(N)c3F)n2)-c4ccnc(n4)Cl	2087
+C1CN(CCO1)c2sc(-c3nc(NC(C)C)ncc3)c(-c4c(c(ccc4)NS(=O)(=O)c5c(F)ccc(c5)F)F)n2	96
+C1CN(CCO1)c2nc(nc3cc(sc23)CN(C(=O)C=C)C)-c4cc(ccc4)O	404
+C1CN(CCO1)c2nc(-c3ccc(cc3)NC(=O)OC)nc4c5c(n(cc5)CCN(C)C)ccc24	3929
+c1cc(ccc1-c2nc(c3ccc4c(ccn4CCN(C)C)c3n2)N5CCOCC5)NC(Nc6ccccc6)=O	124
+c1cc(ccc1NC(=O)Nc2ccncc2)-c3nc(c4ccn(c4n3)CCNC)N5CCOCC5	110
+C1CN(CCO1)c2nc(N3CCN(CC3)S(=O)(=O)C=C)nc(-n4c5cccc(OC)c5nc4C(F)F)n2	6783
+C1CN(CCO1)c2nc(c(C)s2)CCl	6784
+CC(C)(C)OC(N1CCN(CC1)c2nc(nc(-n3c4cccc(OC)c4nc3C(F)F)n2)N5CCOCC5)=O	436
+C1CN(CCO1)c2nc(Cl)nc3c2ccn3CCN(C)C	3924
+CC(C)(c1cc2c(nc(Cl)nc2s1)N3CCOCC3)OC	76
+C1CN(CCO1)c2c3c(nc(Cl)n2)c(OCCO)cc(c3)-c4c(c(ccc4)NS(=O)(=O)CCC)F	99
+c1cc(ccc1-c2nc(c3ccn(CCN(C)C)c3n2)N4CCOCC4)N	261
+C1CC(CCN1Cc2nc3c(n2C)nc(nc3N4CCOCC4)Cl)C5COC5	566
+C1C(CN1Cc2nc3c(nc(nc3N4CCOCC4)Cl)cc2)N5CCOCC5	596
+C1C(CN1Cc2nc3c(nc(Cl)nc3cc2)N4CCOCC4)N5CC(NCC5)=O	596
+CC(C)(C)[Si](C)(C)n1c2c(c(c(cc2)F)-c3nc(c4c(ccc(CN5CC(C5)C6CCOCC6)n4)n3)N7CCOCC7)cc1	3622
+CC(C)(C)OC(N1CCN(CC1)Cc2c(c3c(c(N4CCOCC4)nc(n3)Cl)s2)C)=O	509
+C1CN(CCO1)c2c3sc(S(=O)(=O)C)nc3nc(Cl)n2	6785
+C1CN(CCC1Cc2nc3c(nc(Cl)nc3N4CCOCC4)cc2)C(C)=O	10
+c1cc(ccc1-c2nc(N3CCOCC3)c4c(n(cc4)CC(OC)OC)n2)N	261
+C1CN(CCO1)c2nc(nc(n2)-n3c4cccc(OC)c4nc3C(F)F)N5CCN(CC5)S(=O)(=O)CCN6CCSCC6	3356
+C1CN(CCO1)c2nc(NC(=O)c3cnc4n3nc(cc4)-c5ccccc5OCC(CO)O)ccc2	265
+C1COCCN1c2cc(c(c(SCC)n2)C(=O)NCc3cc(F)cc(c3)F)C	56
+C1CN(CCO1)c2nc(-c3c(F)c(ccc3)NS(=O)(=O)c4ccco4)c(s2)-c5ccnc(N)n5	911
+C(OP(OCC)(Cc1c(C)sc(N2CCOCC2)n1)=O)C	6786
+C1CN(CCO1)c2sc(C)c(COc3ccc(C=O)cc3OC)n2	2088
+C1CN(CCO1)c2cc(c([N+](=O)[O-])c(N)n2)C(=O)OC	128
+C1CN(CCO1)c2nc3c([nH]c(n3)C)c(c2)C(=O)OC	2684
+C1COCCN1c2nc(-c3ccccc3)nc(Cl)c2	6787
+C1CN(CCO1)c2c3cc(cc(c3nc(Cl)n2)O)Br	390
+C1CN(CCO1)c2nc(Cl)nc3c2nc(CO)cc3	59
+C1CN(CCO1)c2c3ncc(-c4cc(N)ccc4)cc3nc(Cl)n2	1151
+C1CN(CCO1)c2c3ncc(cc3nc(Cl)n2)-c4ccc(cc4)C(O)=O	1151
+c1cc(ccc1NS(=O)(=O)C)-c2nc(N3CCOCC3)c4ccc5c(c4n2)ccn5C	80
+C1CN(CCO1)c2c3c(cc(cc3)-c4cccc(S(=O)(=O)C)c4)nc(Cl)n2	495
+C1CN(CCO1)c2nc(-c3cccc4n[nH]cc34)nc5c2sc(c5)NC(=O)C	6788
+C1CN(CCO1)c2c3c(cc(s3)-c4cc(ccc4)C(=O)O)nc(n2)-c5cnc(nc5)N	2685
+C1CN(CCO1)c2nc(-c3ccc(cc3)NC(=O)Nc4ccncc4)nc5n(CC=O)ccc25	571
+C1CN(CCO1)c2nc(c3c(N(c4ccnc(N5CCN(CC5)C)c4)CC3)n2)-c6cccc(O)c6	5
+C1COCCN1c2nc3n(Cc4cccc5ccccc45)c(nc3c(C(OC)=O)c2)C	1484
+C1COCCN1c2nc3c(c(C(O)=O)c2)nc(n3Cc4c(c(Cl)ccc4)Cl)C	1
+CC(C)(C)C(Nc1c(c(c(c(c1)F)F)C(O)c2ccc3ncc(nc3c2)N4CCOCC4)F)=O	1641
+CC(C)(C)C(=O)Nc1ccc(cc1)C(c2cc3nc(N4CCOCC4)cnc3cc2)O	257
+C1CN(CCO1)c2nc3c(ccc(C=O)c3)nc2	3930
+C1CN(CCO1)c2nc3cc(ccc3cc2C4CCCN4c5c(C#N)c(ncn5)N)F	54
+C1CN(CCO1)c2c3n(c(-c4ccc(cc4)-c5[nH]nnn5)cn2)cc(n3)COc6ccc7c(cccc7)n6	6789
+C1COCCN1c2cc(c(cn2)-c3ccc(c(F)c3)OC(F)F)N	1642
+C1COCCN1c2cc(Nc3c(C)c(nc4cc(F)cc(F)c34)-c5ccccn5)c(I)cn2	179
+C1COCCN1c2cc(c(cn2)Br)Nc3c4c(cc(F)cc4F)nc(c3C)-c5ccccn5	179
+C1CN(CCO1)c2c(COc3c(c(ccc3)OCOC)C=O)cccn2	751
+C1COCCN1c2nccn3c2nc(C(OCC)=O)c3	6790
+C1COCCN1C2=NN(N)C(=O)c3ccccc23	6791
+C1COCCN1c2c(C#N)c(-c3c(cc(cc3)Cl)Cl)c(s2)C(=O)N	767
+C1CN(CCO1)c2sc(C)c(COc3ccc(cc3OC)CO)n2	41
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(cc3)OCc4c(C)sc(N5CCOCC5)n4)OC)n2	3931
+C1CN(CCO1)c2sc(c(n2)-c3cccc(NS(=O)(=O)c4c(cccc4F)F)c3F)-c5ccnc(Cl)n5	69
+C1CN(CCO1)c2nc(-c3c(c(ccc3)NS(=O)(=O)c4c(F)ccc(c4)F)F)c(-c5ccnc(n5)Cl)s2	69
+C1CN(CCO1)c2nc(c(-c3ccnc(n3)Cl)s2)-c4c(F)c(ccc4)NS(=O)(=O)c5ccco5	2686
+C1CS(CCN1c2ncc(cc2)C#N)(=NC)=O	6792
+c1cc(ccc1C2CN(C(=O)N3CCS(CC3)(=O)=O)CC(C2)C(OC)=O)OC(F)F	468
+c1cc(ccc1)C2=CCc3ccc(cc3O2)-c4c5c(N)ncnc5n(C6CC(C6)CN7CCS(CC7)(=O)=O)c4	6793
+C1CN(CCS1(=O)=O)CC2CC(C2)n3cc(c4c(ncnc34)N)Br	869
+O=S1(=O)CCN(CC1)CCNS(=O)(=O)c2ccccc2[N+]([O-])=O	71
+C1CS(CCN1C(Oc2ccc(cc2)[N+]([O-])=O)=O)=O	441
+C1CN(CCS1)C=2SC(=Cc3cccc(C(O)=O)c3)C(N=2)=O	1149
+C1CN(CCS1=O)C2CC(C2)n3cc(-c4cccc(OCC5OCCC5)c4)c6c(N)ncnc36	1311
+FC(F)(F)c1ccc(c(c1)NC(=O)Nc2ccc(nc2)N3Cc4c(CC3)c(C(=O)N)[nH]n4)F	6794
+CC(C)c1cc(ccc1)NC(c2cc(ccc2)N3Cc4c(CC3)c(cnc4)C(OC)=O)=O	67
+FC(F)(F)CNC(=O)C1(c2ccccc2-c3c1cccc3)CCCCN4CCN(c5ccc6c(n5)cccc6)CC4C	28
+C1CN1c2cc(c(cc2[N+]([O-])=O)[N+]([O-])=O)C(NCCC(=O)OC)=O	6795
+C1CC2CCN1CC2Cc3cc(ccc3)F	1028
+C1CN2CCC1C(C(CCc3ccc(cc3)CO)(O)c4ccccc4)C2	88
+C1CN2CCC1C(C2)C(c3ccccc3)(O)CCc4ccc(cc4)C(OC)=O	213
+C1CN2CCC1C(C(O)(c3ccccc3)CCc4ccc(cc4)COC)C2	49
+C1CC2CCN1Cc3c2[nH]c4c3cccc4Br	518
+C1CC2CCN1Cc3c4c(n(CCc5cnc(cc5)Cl)c23)ccc(C)c4	6796
+C1CN2CCC1c3[nH]c4ccc(cc4c3C2)C	518
+C1CC2CCN1CC23OC(=NC3)Nc4cc(ncn4)Oc5ccccc5	6797
+c1cnccc1-c2cc(N=C3NCC4(CN5CCC4CC5)O3)ncn2	6798
+CC(C)(c1cccc(Br)c1)NC(NC2CN3CCC2CC3)=O	1957
+FC1(F)C(N(c2c(nc(nc2)Nc3c(cc(C(=O)NC4CN5CCC4CC5)cc3)OC)N(C6CCCCC6)C1)C)=O	14
+C1CN2CCC1C(NC(Cc3cc4ccccc4n3C)=O)C2	9
+C1CC2CCN1CC2NC(c3ccc(Sc4ccc(cc4)Cl)s3)=O	227
+C1CN2CCC1C(NCCc3n(C)c4ccccc4c3)C2	15
+C1CN2CCC1C(C2)OC(C(c3c4c(sc3)cccc4)Nc5cccc(c5)F)=O	27
+C1CC2CCN1CC2OC(=O)C(c3ccccc3)N4CCC(F)(F)CC4	27
+C1CN2CCC1C(OC(=O)C(Nc3ccccc3)c4cc(F)ccc4)C2	1643
+c1ccccc1-c2ccc(cc2NC(OC3C4CCN(CC4)C3)=O)Br	589
+C1CC(CCN1C(c2ccccc2)C(OC3CN4CCC3CC4)=O)C(N)=O	27
+FC(F)(F)c1ccc(CCn2c3c(c4CN5CCC(CC5)c24)cc(C)cc3)cn1	3389
+N1(C(=O)NCC1)c2ncccc2	3819
+C1n2c(cc3cc(OC)ccc23)CNC1	729
+C1CCCCN1CN2C(C(=C3c4ccc(N(C)C)cc4CO3)c5c2ccc(Cl)c5)=O	6799
+C1CN(CCC1)CC#CCCC(=O)N2c3ncccc3NC(=O)c4ccccc24	1469
+CC(C)(C)C(=O)OCN1C=Nc2cc(c(cc2C1=O)OC)OCCCN3CCCCC3	28
+CC(C)(C)OC(=O)N(c1ccc(cc1)NC(c2ccc(C)nc2N3CCCCC3)=O)CCc4ccccn4	43
+CC(C)(C)OC(N1CCN(CC1)c2nccnc2N3CCCCC3)=O	317
+CC(C)(C)OC(=O)N1CCc2onc(c2C1)C(N3CCCCC3)=O	147
+CC(C)(C)OC(=O)NC(C(CN1CCCCC1)O)CC(C(C)C)Cc2cc3c(cccc3OCCOC)cc2	170
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(N3CCCCC3)=O	30
+CC(C)(C)OC(=O)NCc1cnc(cc1)CN2CCCCC2	1309
+CC(C)(C)OC(c1ccc(cc1[N+](=O)[O-])C(=O)N2CCCCC2)=O	30
+CC(C)(C)OC(CC(c1nc(no1)C(=O)N2CCCCC2)CCCC3CCCCC3)=O	2661
+CC(C)(C)OC(c1c(nc2ccc(N3CCCCC3)cc2c1-c4ccc(cc4)F)C)=O	79
+CC(C)(C)OC(c1ccc(cc1NC(c2cc(ccc2OCOC)CN3CCCCC3)=O)-c4ccccc4)=O	131
+CC(C)(C)c1ccc(cc1)C=C(C)CN2CCCCC2	3855
+CC(C)(C)c1sc2c(n1)cc(c(NC(N3CCCCC3)=S)c2)N4CCN(CC4)C	1366
+CC(C)(C)n1nc(cc1N=C2NN(c3ccc(cc3)N4CCCCC4)C(c5ccccc25)=O)C	202
+CC(C)(c1ccc(c(c1)Br)CC(C)CN2CCCCC2)CCCC	53
+CC(C)C(c1ccc(cc1)N2CCCCC2)=O	34
+C1CCCCN1CCCn2c3ccccc3cc2C(NC4C(CCCC4)C(NC(CC(C)C)C#N)=O)=O	53
+C1CN(CCC1)CCCCCS(=O)CCC(C)C	53
+CC1(C)Cc2c(OC)cccc2C1N3CCCCC3	3339
+C1CCCCN1CC(Nc2ccc(cc2)C(=O)N3CC4(CC3CC(C)(C)C4)C)=O	224
+C1CN(CCC1)C(SC)=C[N+]([O-])=O	6800
+FC(F)(F)Oc1ccc(cc1)N2C(=O)C3(CCN(CC3)C(N4CCCCC4)=O)CC2	2399
+C1CN(CCC1)c2cc(ccc2[N+](=O)[O-])Cl	34
+Clc1cc(cc(Cl)c1Oc2ccc(O)c(c2)CN3CCCCC3)N4C(=O)NC(C=N4)=O	48
+C1CCCCN1c2cc(C(Nc3ncc(nc3)-c4ccc(c(C)c4)C)=O)c(cc2)[N+](=O)[O-]	202
+Clc1cccc(CNCc2nc3c(oc4c3cc(cc4)Br)c(O)n2)c1	6801
+C1CN(CCC1)c2cc(nc(n2)Cl)Cl	54
+FC(F)(F)C(N(c1ccc(CCC(OCC)=O)c(F)c1)Cc2ccc3c(c2C)N(CCN4CCCCC4)CCC3)=O	123
+FC(F)(F)c1c2nc(CN3CCCCC3)c(-c4cc(Oc5cccc(S(=O)(=O)C)c5)ccc4)n2ccc1	6802
+FC(F)(F)c1cc(-c2ncc(nc2)NC(c3c([N+](=O)[O-])ccc(N4CCCCC4)c3)=O)ccc1	202
+FC(F)(F)c1cc([N+](=O)[O-])c(N2CCCCC2)c(C(Nc3cc(Cl)c(cc3)Cl)=O)c1	202
+FC(F)(F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	202
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(c3)OCCCCN4CCCCC4	28
+FC(F)(F)c1cccc2c(n(nc12)-c3ccccc3)N4CCCCC4	959
+C1CCCCN1CC(N(c2c(ccc(c2)OC)C3CCc4c(C3)ccc(OC)c4)CC)=O	224
+C1CCCN1c2c3c4ccccc4n(c3nc(N5CCCC5)n2)CCN6CCCCC6	123
+O=S(=O)(c1ccc(cc1)C)N2C(CC(=O)NCCc3ccc(cc3)CN4CCCCC4)C(NC=C2)=O	171
+C1CCCCN1C(C)CCOc2ccccc2	2687
+c1cc(ccc1CCN2CCCCC2)-c3cc4c(CN(CC4)C(=O)COC(C)=O)cc3	236
+C1CN(CCC1)Cc2nc3c(cccc3)[nH]2	894
+C1CCCCN1C(c2cc(C)c(Nc3cnc(C)cc3)nc2)=O	211
+C1CN(CCC1)Cc2cc(c(O)cc2)OC	48
+C1CN(CCC1)c2ccnc(C)c2	264
+C1CCCCN1c2nc(cs2)C(OCC)=O	2643
+C1CCCCN1CCCCCn2c3c(c(nc(OC(C)CCC)n3)N)nc2OC	53
+C1CN(CCC1)C(=O)c2ccc([N+]([O-])=O)cn2	3753
+C1CN(CCC1)c2c3c(C=O)cn(C)c3ncc2	3932
+C1CCCCN1C(=O)c2ccc(Oc3cc(cc(c3)OC(C)CO)C(=O)Nc4nn(C)cc4)c(F)c2	30
+C1CCCCN1c2cc(nc(N3CCCC3C)n2)N4C(CN(c5c(cc(cn5)C(=O)OCC)C)CC4)C	54
+C1CN(CCC1)CCCOc2cc(OC3CCOC3)c4c(ncnc4c2)Nc5cc(c(F)cc5)Cl	53
+C1CN(CCC1)CCCOc2cc(F)c(-c3cn4c(n3)cc(C)cc4)cc2	53
+C1CCCCN1Cc2[nH]c3cc(Oc4sc5ccccc5n4)ccc3c2	315
+C1CCCCN1c2cc(ccc2[N+](=O)[O-])F	34
+C1CN(CCC1)CCCCN2CCN(CCC2=O)C(C=Cc3ccc(c(c3)Cl)Cl)=O	183
+C1CN(CCC1)CC(O)CCN2CCN(CCC2=O)C(C=Cc3ccc(c(c3)Cl)Cl)=O	170
+C1CN(CCC1)c2nc(nc(C(=O)OC)c2)Cl	54
+C1CCCCN1c2cc(Br)c([N+]([O-])=O)cc2	34
+C1CN(CCC1)c2cnc(cc2)[N+]([O-])=O	244
+C1CN(CCC1)c2ccc(c(C(=O)N)c2)[N+]([O-])=O	34
+C1C(CC1)(C(CN2CCCCC2)=O)c3ccccc3	3933
+c1cc(ccc1)C2=CN(C(c3ccccc23)=O)CCCN4CCCCC4	53
+c1cc(ccc1)N2C=C(C(=O)c3ccc(cc23)Cl)CNC(=O)c4ccc(nc4)N5CCCCC5	43
+C1CCCCN1c2ccc3c(c2)c(-c4ccc(cc4)F)c(c(n3)C)C(C)O	79
+c1cc(ccc1S(=O)(=O)N2CCCCC2)C#N	92
+C1CN(CCC1)CCC(=O)Nc2ccc(cc2)C(=O)N3CC4(CC3CC(C)(C)C4)C	1531
+c1cc(ccc1C(=O)Nc2ccc(cc2)OC(=O)N(C)c3ccccc3)CN4CCCCC4	171
+c1cc(ccc1CN2CCCCC2)C(C)n3nnc(CC4N(C=CNC4=O)S(=O)(=O)c5ccc(Cl)c(Cl)c5)c3	48
+C1CN(CCC1)C(=O)c2ccc(cc2)C=O	30
+c1cc(ccc1Cl)-c2cc(C(CN3CCCCC3)=O)c(C)s2	1498
+C1CN(CCC1)CC(c2cc(C(c3ccc(cc3)Cl)=O)cn2C)=O	1498
+c1cc(ccc1Cl)N2c3c(N=C(N4CCCCC4)C2=O)cccc3	6803
+C1CCCCN1CC2CCc3n(c4c(cccc4)c3C2=O)Cc5ccc(cc5)C(OC)=O	6804
+c1cc(ccc1Cn2cc(cn2)-c3nc(sc3N4CCCCC4)Nc5ccccn5)OC	3934
+C1CCCCN1CCCCCCOc2cc3ccn(-c4ccc(cc4)F)c3cc2	28
+C1CCCCN1C(C2CCc3c2nc(s3)-c4ccc(cc4)OCCCCl)=O	10
+C1CN(CCC1)CCCOc2ccc(cc2)I	53
+C1CCCCN1C(=O)Cc2nc(oc2)-c3ccc(cc3)OCCN4CCCC4C	10
+c1cc(ccc1Oc2ccc(C(=O)N3CCCCC3)cn2)C=O	211
+C1CN(CCC1)c2ccc(nc2)C(Nc3cc(cc4[nH]ncc34)-c5c6cc[nH]c6ccc5)=O	244
+C1CN(CCC1)CC2CC(c3ncc(Br)cc3)=NO2	53
+C1CCCCN1C2Cc3c(C2)ccc(OC)c3	85
+C1CCCCN1c2ncnc(COC)c2C	54
+c1ccccc1CCOCCN2CCC(CC2)(C#N)C	236
+O=S(=O)(CCC)N1CCC(CC1)(c2ncccc2)C#N	112
+CN(C)C(=O)Oc1cc(NC(C2(CCN(CC2)c3ncnc4[nH]cc(c34)C)COC)=O)ccc1	778
+c1cc(ccc1C(=O)N2CCC(CC2)(c3ccccc3)C(=O)OC)-c4nc(C)no4	30
+C1CC(CCC1)C2(CCNCC2)CO	44
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)N2CCC(C)(C)CC2	92
+CC(C)(C)OC(N1CCC(CC1)(O)C)=O	23
+C1CC(CCN1C(Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)=O)(O)C	437
+c1cc(ccc1F)C2c3nc(nc(N4CCC(CC4)(O)C)c3CC2)Cl	54
+C1CN(CCC1(c2cc(ccc2)-c3cnn(C)c3)CO)c4ncnc5nc[nH]c45	1310
+C1CC(CCN1C(C)=O)(Cn2c3c(nc2COCC)cnc4ccccc34)O	58
+C1CC(CCN1C(=O)Nc2ccccc2)(O)Cn3c4c(nc3COCC)cnc5ccccc45	326
+FC(F)(F)c1nnc2ccc(nn12)N3CCC(CC3)(c4ccc(cc4)O)O	212
+C1CN(CCC1(c2c(C)cccc2)C#N)C(OCC)=O	66
+CC(C)(O)CN1CCC(CC1)(C#N)c2ccc(cn2)Br	170
+C1CC(CCN1CCc2ccc3NC(CCc3c2)=O)(O)c4sc(cc4)Cl	53
+CC(C)(C)OC(=O)Cc1cc(N2CCC3(CC2)C(=O)N(C(=O)N3CCc4ccc(cc4)OC)CC5CC5)ccc1	79
+c1ccccc1N2C3(CCN(CC3)CCCN4C(Nc5c4c(Cl)ccc5)=O)C(NC2)=O	1306
+C1CC2(CCN1CCc3cc(ccc3)OC)CC(c4cc(ccc4O2)C=CC(=O)OC)=O	28
+C1CN(CCC12CC(c3c(ccc(C=CC(=O)OC)c3)O2)=O)CCc4c[nH]c5ccccc45	28
+C(C)Oc1cc(cc(OCC)c1-c2ccc(cc2)F)CN3CCC4(CC3)CC(NC4)=O	171
+C1CN(CCC12CC(c3c(O2)cccc3)=O)C(c4ccccc4OC)=O	30
+CC(C)(C)OC(=O)Nc1cc(cc(c1Cl)N2CCC3(CC2)C(=O)N(CC3)C)C#N	79
+CC(C)(C)OC(N1CC(c2ccccc2)C(CN3CCC4(CC3)CCN(Cc5ccc(cc5)Br)C4=O)C1)=O	61
+c1cc(ccc1)C(CCN2CCC3(CC2)CCN(C3=O)Cc4ccc(cc4)Br)=O	1644
+CC(C)(C)[Si](C)(C)OCCc1ccc(CCN2CCC3(CC2)CN(CCO3)C(=O)c4nc(sc4)C)s1	61
+CC(C)(C)OC(=O)NCCCN1CCC2(CC1)CN(C(=O)OCc3ccccc3)CC2	53
+CC(C)(C)[Si](C)(C)OCCc1c(F)c(CN2CCC3(CC2)CN(C(=O)c4csc(n4)C(C)C)CCO3)ccc1	48
+C1CN(CCC12OCCN(C(c3nc(sc3)C(C)C)=O)C2)CCc4csc(CCOC(=O)C)c4	123
+C1CC2(CCN1CCc3cccc(CCO)c3)CN(C(=O)c4nc(C(C)C)sc4)CCO2	28
+CC(C)(C)OC(=O)CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CNC(=NC(c4nc(c(nc4N)N)Cl)=O)N3)c1	30
+c1cc(ccc1N2C3(CCN(CC3)C(=O)C)C(NC2=O)=O)C	58
+CC(C)(C)OC(N1CCC(CC1)N2CCC3(CC2)OC(Nc4ccccc34)=O)=O	85
+C1COCCC1c2nc3c(cc(Oc4cc(N5CCC6(CC5)c7c(NC(=O)O6)nccc7)ncn4)cc3[nH]2)Cl	54
+C1CN(CCC12c3c(NC(=O)O2)nccc3)c4cc(C(=O)c5cc6c(c(C)c5)N(C)C(=O)O6)nc(C)n4	54
+C1CN(CCC12c3c(NC(=O)O2)nccc3)c4ncnc(c4)C(c5cc(C)c6c(OC(=O)N6C)c5)=O	54
+C1CN(CCC12c3c(CCO2)cc(F)s3)Cc4cn(nc4C)-c5c(C#N)cccn5	678
+CC(C)(C)OC(=O)N1CCC2(CC1)CCCc3ccccc23	23
+C1CN(CCC12C=Cc3ccccc23)c4c(Cl)c(nnc4)NN	6805
+C1CC(CCN1CC(OCC)=O)=C2c3ccc(cc3CCc4c2nccc4)C#N	303
+C1CC(CCN1CCOc2cccc3nc(ccc23)C)=Cc4cc(-c5ccccn5)ccc4	28
+C1CC(CCN1CCOc2cccc3nc(C#N)ccc23)=Cc4cccc(Br)c4	28
+C1CN(CCC1C#N)CC(N(C(c2cc(c(cc2)F)C)=O)C)C(C)C	61
+C1CN(CCC1C#N)c2c(cnc(N)c2Cl)Br	264
+C1CC(CCN1C(N2CCOc3c(cc(-c4cnc(cc4)-c5[nH]ccn5)cc3)C2)=O)C#N	776
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCC(CC4)C(=O)N5CCC5	85
+CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCC(CC2)C(=O)c3cc(Cl)ccc3Cl	61
+FC(F)(F)CCN1CCC(CC1)C(=O)N	183
+FC(F)(F)c1nccc(n1)N2CCC(CC2)C(=O)N	54
+O(c1cc(cc(OC)c1OC)-c2nccc(CN3CCC(CC3)C(=O)N)c2)C	171
+C1CN(CCC1C(N)=O)S(=O)(=O)c2c3c(ccc2)cccc3	92
+c1c(Cl)c(c(cn1)Cl)N2CCC(CC2)C(=O)N	264
+C1CN(CCC1C(N)=O)C(C(=O)OCC)c2ccccc2	6806
+c1ccccc1C(c2ccccc2)N3CCC(CC3)C(N)=O	1109
+C1CC(CCN1Cc2ccccc2)C(N)=O	171
+C1CN(CCC1C(N)=O)C(=O)OCc2ccccc2	66
+C1CN(CCC1C(N)=O)CCOc2ccc(cc2)Oc3nc4ccccc4s3	28
+C1CN(CCC1C(=O)N2CC(C(Oc3ccc(C#N)cn3)C)C(c4cc(c(Cl)cc4)Cl)C2)CC#N	6807
+c1cc(ccc1Cl)S(=O)(=O)CCCN2CCC(CC2)C(c3ccc(cc3)F)Nc4cc(F)c(F)cc4	53
+CC(C)(C)OC(=O)N1CCCC(CN2CCC(CC2)C(=O)Nc3ccc(c(Cl)c3)Cl)C1	61
+CC(C)(C)CCN1CCC(CC1)C(=O)OCC	61
+CC(C)(C)OC(n1c(-c2cc(N3CCC(CC3)C(OCC)=O)ccc2Cl)nc4c1cccc4)=O	79
+CC(C)(C)OC(n1c2ccc(OC)cc2nc1-c3c(ccc(N4CCC(CC4)C(=O)OCC)c3)F)=O	79
+CC(C)(C)[Si](C)(C)Oc1ccc2nc(ccc2c1)CN3CCC(CC3)C(=O)OCC	315
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)C(OCC)=O)=O)c4c(cccc4)Br	10
+CC(C)Oc1ccc(-c2onc(-c3cccc4c3n(cc4CN5CCC(CC5)C(=O)OCC)C)n2)cc1Cl	565
+CC1(C)Oc2c(c(CCN3CCC(CC3)C(=O)OCC)ccc2)CO1	123
+C1CC(CCN1c2c(Cl)nsn2)C(=O)OCC	6808
+C1CN(CCC1C(=O)OCC)c2ncnc(c2F)Cl	54
+FC(F)(F)CCN1CCC(CC1)C(=O)OCC	61
+FC(F)(F)c1c(ccc(-c2ncc(cn2)-c3cccc(CN4CCC(CC4)C(=O)OCC)c3CC)c1)OC(C)C	48
+C1CN(CCC1C(=O)OCC)C(C)=O	58
+C1CC(CCN1S(=O)(=O)C)C(=O)OCC	112
+C1CC(CCN1CCc2c3c(oc2)cc(cc3)Oc4sc5ccccc5n4)C(OCC)=O	123
+C1CC(CCN1c2nc3ccc(c(c3cc2)C(O)=O)Cl)C(=O)OCC	286
+C1CC(CCN1c2c3c(n(C)cc3C=O)ncc2)C(=O)OCC	3932
+C1CC(CCN1c2ccc(Cl)c(-c3ccc(cn3)C)c2)C(=O)OCC	79
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)C(=O)OCC	3935
+C1CN(CCC1C(=O)OCC)Cc2ccc(cc2)-c3c(-c4ccccc4)cc5c(n6nc(C)cc6nc5)n3	48
+c1cc(ccc1OCCCCN2CCC(CC2)C(OCC)=O)Cn3c(nc4c3nc(nc4N)OCCCC)OC	53
+C1CN(CCC1C(=O)OCC)Cc2cc3c(cc2)cc(cc3)O	48
+C1CN(CCC1C(=O)OCC)c2c(ccnc2)-c3sc(C)cn3	2688
+CC(C)(C)OC(N1CCC(CC1)C(c2ccc(cc2)Br)=O)=O	23
+FC(F)(F)C(C)OC(N1CCC(CC1)C2(Oc3cnc(cc3C2)-c4ccc(cc4)S(=O)(=O)C)C)=O	1011
+O=S(=O)(c1ncn(C)c1)N2CCC(CC2)C3=NCCc4cc(OC)ccc34	3936
+O=S(=O)(c1cnc(cc1)OCCC2CC2C3CCN(CC3)C#N)C	739
+C1CN(CCC1C2C(C2)CCO)c3ccc(C=O)cn3	43
+c1nc(ncc1COC)N2CCC(CC2)C3CC3CCO	117
+c1nc(ncc1OCC)N2CCC(CC2)C3CC3CCO	117
+n1cc(cnc1N2CCC(CC2)C3CC3CCO)CC	117
+C1CNCCC1C2N=C3NC(=CC(=O)N3CC2)c4ccncc4	6809
+c1cnccc1C2=CC(=O)N3C(=NC(C4CCN(CC4)C)CC3)N2	113
+c1nc(ncc1CCC)N2CCC(CC2)C3Oc4c(C3)cc(Br)cc4F	117
+CC(C)N1CCC(CC1)CC#Cc2c3c(c(nc(CCCC)n3)N)n(COCc4ccccc4)c2	2689
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)CC(=O)OCC)=O)c4c(cccc4)Br	10
+CC(C)CC1C(N(CC(N2CCC(CC2)CC(=O)OCC)=O)CC(c3ccccc3Cl)c4cc(Cl)ccc14)=O	10
+C1CC(CCN1c2c(cc(cc2)Cl)[N+]([O-])=O)CC(=O)OCC	202
+FC(F)(F)c1ncc(cn1)N2CCC(CC2)CC3CCN(CC3)C(C)C	3937
+C1CN(CCC1CC2CCN(CC2)C(C)C)c3ncc(nc3)C(=O)OC	317
+C1CC(CCN1c2ccc(cc2)C(=O)C)CC3CCN(CC3)C4CCC4	34
+CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(CN3CCC(CC3)CCC)=C(Cl)C=C(C2=O)Cl	3830
+C1CC(CCN1CC)CCCCCCn2c(nc3c(nc(nc23)OCCCC)N)OC	183
+C1CN(CCC1CCNC(=O)C=C)C(=O)CNc2c(O)cc(Cl)c(Cl)c2	10
+CC(C)(C)OC(=O)NC(C(=O)N1CCC(CC1)CCc2c(nc(C)nc2N)Cl)C	10
+C1CN(CCC1CCc2noc3c(CO)c(ccc23)OCC4CC4)Cc5nc(C#N)cs5	6810
+C1CC(CCN1C(=O)OCc2ccccc2)CN	613
+c1cc(ccc1CN2CCC(CC2)CN)Cl	171
+C1CC(CCN1S(=O)(=O)C)CN(CCC)C2CCc3ccc(cc3C2)[N+](=O)[O-]	112
+C1CC(CCN1C(=O)N)CNc2cc(nc3n2ncc3Br)-c4c(Cl)cccc4	6811
+CC(C)(C)[Si](C)(C)OCC1CCNCC1	19
+CC(C)C(N1CCC(CC1)CO)=O	10
+C1CN(CCC1CO)C(OC(C)C)=O	66
+C1CC(CCN1C(=O)CC)CO	58
+C1CN(CCC1CO)c2nccc(c2)C	361
+C1CC(CCN1C#N)CO	739
+C1CN(CCC1CO)C(=O)C	10
+O=S(=O)(c1ccc(c(c1)C(=O)O)Cl)N2CCC(CC2)CO	92
+C1CC(CCN1C(=O)CC2C(=O)NC=CN2S(=O)(=O)c3cc(C)c(Cl)cc3C)CO	10
+C1CNCCC1COc2c3c(Nc4ccc(c(Cl)c4)O)ncnc3ccc2	1111
+C1CC(CCN1Cc2cnc(-c3ccccn3)s2)CO	2075
+c1ccccc1C(c2ccccc2)OCC3CCNCC3	3938
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3CCNCC3	328
+c1ccccc1-c2csc3nc(nc(c23)N4CCC(CC4)CO)CCl	1570
+c1ccccc1-c2csc3nc(Cl)nc(c23)N4CCC(CC4)CO	1570
+C1CN(CCC1CO)C(c2ccccc2)=O	115
+C1CN(CCC1CO)c2ncc(cn2)CC	117
+C1CC(CCN1C(Nc2sc3c(N4CCOCC4)ncc(OC)c3n2)=O)COC	437
+CC(C)N1CCC(CC1)COc2c(C(NC(C)(C(=O)OCC)CC)=O)cc(c3ccccc23)Cl	85
+C1CC(CCN1C(C)=O)COc2c3c(cccc3)c(Cl)cc2C(NC(C)(C(=O)OCC)CC)=O	58
+CC(C)(C)Oc1nc(CCN2CCC(CC2)COc3c(cccc3)F)cnc1	6812
+C1CC(CCN1CCOc2cccc3c2ccc(n3)C)Cc4ccc5c(c4)NC(=O)CO5	28
+C1CC(CCN1CC#N)Cc2n(c3ncccc3n2)CCOCC	1321
+c1cc(ccc1Oc2ccccc2)CCN(C3CCN(CC3)Cc4ccc(cc4)C(OC)=O)C	131
+C1CC(CCN1CC(C)(C)O)N(C(c2ccc(cc2)-c3ocnc3)=O)C4CC4	170
+C1CC(CCN1)N(Cc2scnc2Cl)CC(C)C	6813
+C1CC(CCN1C(=O)NC(Cc2cc3c(n[nH]c3)c(C)c2)C(=O)OC)N4Cc5cccc(F)c5NC4=O	6814
+C1CN(CCC1N2C(NC(=O)c3cc(ccc23)OCC(F)F)=O)C=O	1003
+C1CC(CCN1c2cc(ccn2)C(=O)N3CCc4cc(c(F)cc34)F)N5C(=O)Nc6ncccc56	43
+C1CN(CCC12OC(Nc3ccccc23)=O)C4CCN(CC4)c5nccnc5	6815
+C1CN(CCC1N2CCN(CC2)C)c3cc(OC)c([N+]([O-])=O)cc3C	34
+C1CN(CCC1N2CCN(CC2)C)c3c(cc4c(Nc5ccc(c(Cl)c5)Sc6n(C)ccn6)c(cnc4c3)C#N)OC	2074
+FC(F)(F)S(=O)(=O)c1ccc(cc1)-n2cc(cc2)CN3CCC(CC3)NC(COc4cccc(Cl)c4)=O	565
+c1cc(ccc1-n2cc(cc2)CN3CCC(CC3)NC(COc4cccc(Cl)c4)=O)Br	565
+c1(cc(cc(OCC)c1F)CN2CCC(CC2)NC(=O)c3cccc(OC(C)(C)C(OCC)=O)c3)OCC	48
+O=S(=O)(NC1CCN(CC1)C(=O)OCc2ccccc2)c3ccc(cc3)[N+]([O-])=O	66
+C1CN(CCC1Nc2c3nnc(C)n3nc(-c4cc5ccccc5n4Cc6ccccc6)c2)C	113
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C	10
+C1CC(CCN1c2ncccc2Br)Nc3ccc(cc3)F	43
+C1CN(CCC1Nc2ncc(C(=O)OC)cc2)C(Nc3ccccc3)=O	326
+C1CN(CCC1Nc2nccc(-c3n(C(C)C)c(nc3)C)n2)CCc4ccccc4	28
+C1CN(CCC1Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2)C(C)=O	58
+c1ccn(c1)-c2c(CN3CCC(CC3)Nc4nc(NCCCN(C)C)nc5ccccc45)cccc2	48
+c1(cc(cc(OCC)c1F)CN2CCC(CC2)Nc3nc(NCCO)nc(OC)n3)OCC	48
+C1CC(CCN1CC(F)(F)c2ncc(C(F)F)cc2)Nc3ncnc4n(S(=O)(=O)c5ccc(cc5)C)ccc34	1645
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1-c4nnc(o4)NC5CCN(CC5)S(=O)(=O)C	112
+C1CN(CCO1)c2nc(cc(N)c2)N3CCC(CC3)O	43
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(c4C(=O)N(C(N5CCC(CC5)O)=Nc4o3)C)-c6ccccc6	6816
+CC(C)(C)[Si](C)(C)OC1CCNCC1	19
+CC(C)(O)c1c2ncc(-c3ccnc(NC4CCC(CC4)C(N5CCC(CC5)O)=O)n3)n2ccc1	10
+CC(C)C(N1CCC(CC1)O)=O	10
+CC(C)C(N(C(c1cc(c(cc1)F)C)=O)C)CN2CCC(CC2)O	61
+C1CN(CCC1O)C(C23c4c(cccc4)C(c5c2cc(Cl)cc5)C3)=O	10
+C1CNCCC1Oc2ncc(cc2)Cl	91
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N(C2CC2)C3CCN(CC3)C(CCN4CCC(CC4)O)=O	1531
+FC(F)(F)c1ccc(cc1)C2CC(CN(C(N3CCC(CC3)O)=O)C2)NC(c4ccccc4)=O	468
+C1CN(CCC1O)C#N	739
+C1CN(CCC1O)Cc2ccccc2C#N	131
+C1CC(CCN1c2c(cc(cn2)[N+]([O-])=O)Cl)O	43
+C1CN(CCC1O)c2ccc(O)nn2	212
+C1CC(CCN1c2ccc([N+](=O)[O-])c(c2)OC)O	34
+C1CC(CCN1c2ncc(nc2)CC)O	2089
+C1CN(CCC1O)C(=O)COCCc2c(cccc2Cl)Cl	10
+C1CN(CCC1O)c2ccc(Br)cn2	323
+C1CC(CCN1C(c2ccc3-c4c(cc(C(N(C)c5c(Cl)cccc5)=O)s4)CCOc3c2)=O)O	3355
+C1CN(CCC1O)c2ccc(cn2)C(=O)NCC=3C(=O)c4ccc(cc4N(C=3)c5ccccc5)Cl	43
+c1cc(ccc1CC)C2CC(C(=O)OCC)CN(C(=O)N3CCC(CC3)O)C2	468
+c1cc(ccc1CN2CCC(CC2)O)C	171
+c1cc(ccc1C)S(=O)(=O)n2c(-c3cn(C)c4cc(OC)c(OC)cc34)cc5c(ccnc25)CN6CCC(CC6)O	171
+C1CN(CCC1O)c2nnc(Cl)cc2	212
+C1CC(CCN1C(C23c4c(cccc4)C(c5c2cccc5)C3)=O)O	10
+C1CN(CCC1O)C(=O)Nc2nccc(Oc3cc4c(cc3)n(C(NCCC(C)C)=O)cc4)c2	437
+C1CC(CCN1c2nccc(-c3cccc(n3)-c4n5c(ccc(N6C(c7cccc(F)c7)CCC6)n5)nc4)c2)O	361
+C1CN(CCC1O)c2nc3c(cccc3)cc2	286
+n1cc(cnc1N2CCC(CC2)O)Br	117
+n1cc(cnc1N2CCC(CC2)O)CC	117
+n1cc(cnc1N2CCC(CC2)O)CCC	117
+C1CC(CCN1CC(C)CN2C(COc3c2cc(cc3)C)=O)OCCC	183
+C1CN(CCC1OCCCCCOC)c2ccc(cc2)C#N	34
+C1CN(CCC1)CCOC2CCN(CC2)C(c3c(ccc(c3)Cc4c5c(c(O)nn4)cccc5)F)=O	30
+C1CC(CCN1C(=O)C)Oc2c3c(cc(c2)CC(OC)=O)ccc(F)c3	58
+C1CN(CCC1Oc2cc3n(-c4cc(OC(C)c5ccccc5Cl)c(C(OC)=O)s4)cnc3cc2)C	2690
+C1CNCCC1Oc2cc3c(cc2)ncn3-c4cc(c(C(N)=O)s4)OC(c5c(Cl)cccc5)C	1355
+CC(C)(C)OC(C(CS(=O)(=O)N1CCC(CC1)Oc2c(Br)cc(cc2)F)C3CCCC3)=O	112
+C1CN(CCC1Oc2ccc(cc2)C3CCN(CC3)C(OCc4ccccc4)=O)C(C)C	85
+C1CC(CCN1C(=O)c2ccc3c(cc[nH]3)c2)Oc4ccc(cc4)Cl	30
+c1ccccc1-c2nc(nc3-c4c(cccc4C(c23)=O)N5CCC(CC5)Oc6ccc(cc6)OC)N	908
+C1CC(CCN1S(=O)(=O)C)Oc2ccc(cc2)S(=O)(=O)N(C3CCC3)c4cccc(F)c4	112
+CC(C)N1CCC(CC1)Oc2ncc(cc2)[N+](=O)[O-]	85
+C1CC(CCN1S(=O)(=O)CC2=NNC(N2)=O)Oc3ncc(cc3)Cl	6817
+C1CN(CCC1S(=O)(=O)C)c2ncccc2-c3nc4c([nH]3)cc(Cl)c(Cl)c4	43
+O=S(=O)(C1CCN(CC1)c2c(C#N)cc(C(=O)OCC)c(n2)C)N	43
+c1cc(ccc1-c2c(-c3ccc(cc3)CN4CCC(CC4)c5nnc(-c6cccc(n6)C)[nH]5)nc7nccn7c2)F	48
+c1cc(ccc1CN2CCC(CC2)c3nnc([nH]3)-c4cnc(cc4)OC)-c5c(cc6c(ccnc6O)n5)-c7ccccc7	48
+C1CN(CCC1c2nccnc2F)C(C)=O	58
+C1CN(CCC1c2c(c(ccc2)Cl)Cl)CCCCOc3cc4c(cc3)scn4	28
+c1cc(ccc1)C(N2CCC(CC2)c3c4cc(-c5ccccc5)nc(C(N)=O)c4[nH]c3)=O	115
+c1cc(ccc1SCCCN2CCC(CC2)c3c4c(n(c3CC)-c5ccccc5)cc(F)cc4)F	28
+C1CC(CCN1c2cc(C(=O)OC)nc(n2)Cl)c3n[nH]c4ncccc34	54
+C1CN(CCC1c2c3c([nH]c2)c(cc(Br)c3)C(N)=O)S(=O)(=O)CC	112
+c1(cc(cc(Cl)n1)C2CCN(CC2)C3COC3)Cl	85
+c1cc(ccc1Oc2ccccc2)-c3c4c(cc(n3)C5CCN(CC5)C(=O)CC#N)[nH]nc4N	10
+C1CC(CCN1CC(F)F)c2cc3c(nnc(c3Nc4c(cc(cc4)C)F)C(N)=O)cc2OC	1645
+O=S(=O)(C)N1CCC(CC1)c2cc3c(nnc(c3Nc4c(cc(cc4)C)F)C(N)=O)cc2OC	112
+c1ccccc1CN2CCC(CC2)c3ccc(c(C(=O)N)c3)Cl	131
+c1cc(ccc1)COc2cc(ccc2C3CCN(CC3)C(=O)Nc4ccccn4)OCc5ccccc5	468
+C1CC(CCN1)c2cccc3c2C(C(N3)=O)=Cc4[nH]c(C)cc4C	292
+CC(C)(C)OC(=O)N(C1CC(C(=O)N2CCC(CC2)c3ccccc3)N(Cc4ccccc4)C1)Cc5c(F)cc(F)cc5	10
+CC(C)(C)OC(NCCN(CCCCCCN1CCC(CC1)c2ccccc2)Cc3ccccc3OC(C)(C)C)=O	28
+CC(C)(C)OC(Nc1ncc(CN2CCC(CC2)c3ccccc3)s1)=O	3696
+C1CN(CCC1c2ccccc2)C(=O)C3C4(c5ccccc5CCC4)CN(C3)Cc6ccccc6	10
+c1cc(ccc1N2CCC(CC2)c3ccccc3)S(=O)(=O)NC4C(=O)N(OCc5ccccc5)CC=CC4	34
+C1CC(CCN1c2ccc(cc2)S(=O)(=O)NC(Cc3c[nH]c4c3cccc4)C(=O)O)c5ccccc5	34
+c1cc(ccc1)C2CCN(CC2)CCC3c4cnn(-c5cc(c(cc5)Cl)Cl)c4CCC3	53
+C1CN(CCC1c2ccccc2)Cc3ccc4c(n3)ccc([N+](=O)[O-])c4	596
+C1CC(CCN1C)c2ncc(C(OC)=O)nc2	113
+c1cc(ccc1OC)-c2c(n(CC(=O)OC)c(C3CCN(CC3)C(=O)N(O)C)n2)-c4ccc(cc4)OC	6818
+CC(C)c1nc(no1)C2CCN(CC2)c3ncc(cc3C#N)Br	43
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(n3)C#Cc4c5c(ccc4)cccc5)n1)C	10
+C1CN(CCC1c2nc(C(N(C3c4c(cccc4)CCC3)C)=O)cs2)C(Cn5c(cc(CC)n5)CC)=O	10
+C1CC(CCN1C(Cn2nc(cc2Cl)Cl)=O)c3nc(C(N(C4CCCc5ccccc45)C)=O)cs3	10
+C1CN(CCC1c2nc3c([nH]2)ccc(c3)Br)c4ncc(cn4)CC	117
+C1CC(CCN1C)c2nn3c(C=C(c4ccc(cc4Cl)Cl)NC3=O)n2	113
+C1CC(CCN1c2ccc3ccc(cc3n2)F)c4nccnc4-c5cc(c(cc5)C(NC)=O)F	3619
+C1CC(CCN1CCc2c(C)sc3CN(CCc23)C(C)=O)c4c5c(on4)cc(F)cc5	28
+C1CC(CCN1CCCOc2c(cc(C(O)C)cc2)O)c3c4c(on3)cc(F)cc4	53
+CC(C)(C)[Si](C)(C)OC1C=2N(CCC1)C(=O)C(CCN3CCC(CC3)c4noc5c4ccc(O)c5)=C(N=2)C	6819
+C1CN(CCC1c2nnc(-c3cc(-c4cc(OC)ccc4)cnc3N)o2)C	1022
+O=S(=O)(N)c1cc(ccc1OC)CCN2CCC(CC2)c3oc(-c4ccc(cc4)F)c(COC)n3	53
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc3c(cc(Br)cc3n2)F	23
+c1cc(ccc1)C2(C(CN3CCC(CC3)c4onc(Cc5ccccc5)n4)C2)CN(S(=O)(=O)c6ccccc6)C	61
+C1CN(CCC1n2c(Sc3c(cc4OCOc4c3)Br)nc5c2ncnc5N)C=O	1003
+c1ccccc1-c2c(-c3ccc(cc3)CN4CCC(CC4)n5c6c(nc5C)cccc6)nc(N)c(c2)[N+]([O-])=O	48
+C1CC(CCN1CCc2cc3NC(CCc3cc2OC)=O)n4ccc5c4cc(C(=O)N)cc5	61
+C1CN(CCC1n2ccc3c2cc(cc3)C(N)=O)CCc4c(OC)ccc5c4cccc5	61
+C1CC(CCN1CCc2cc3N(C)C(=O)OCc3cc2OC)n4c5cc(C(=O)NC)ccc5cc4	61
+C1CC(CCN1C)n2cc(cn2)-c3nc(OC(C4CNC(=O)C4)C)c5c(nn(c5)C)c3	113
+C1CC(CCN1S(=O)(=O)C)n2c3c(c(N4CCOCC4)nc(-n5c6cccc(c6nc5C(F)F)OC)n3)nn2	112
+CC(C)(C)c1cc2c(cc1)oc(n2)N3CCNCCC3	2647
+C(C)OC(=O)N1CCNCCC1	66
+FC(F)(F)c1ccc(N2CCNCCC2)nc1	43
+O=S(=O)(N1CCCNCC1)c2c3ccnc(c3ccc2OC)Cl	2691
+c1(cccc(Cl)c1Cl)N2CCCNCC2	79
+O=S(=O)(C)c1ccc(cc1)CN2CCNCCC2	131
+C(C)N1CCCNCC1	15
+C1CNCCN1c2nc(c3nc(c(N4CCS(CC4)=O)nc3n2)Cl)N5CCOCC5	117
+C1CN(CCS1=O)c2c([N+](=O)[O-])c(nc(n2)N3CCNCC3)OCC	3625
+C1CNCCN1c2c(F)c3N4C(=C(C(=O)OCC)C(c3cc2F)=O)SC4C	34
+CC(C)(C)OC(N1CC(CC1C(N2CCNCC2)=O)N(C(C)=O)C3CCC(C)(C)CC3)=O	10
+CC(C)(C)OC(=O)C1C(N(CC)c2c(CC1)cc(c(c2)OC)N3CCNCC3)=O	79
+CC(C)(C)[Si](C)(C)N1CCNCC1	6820
+CC(C)(C)c1nc(cc(C2CC2)n1)N3CCNCC3	54
+CC(C)(C)c1nc(cc(n1)N2CCNCC2)C3CCC3	54
+CC(C)(C)c1nn2c(N3CCNCC3)c(-c4ccccc4)c(C)c(C#N)c2n1	6821
+CC(C)(C)c1sc2c(n1)cc(c(NC(N3CCNCC3)=S)c2)N4CCC(CC4)C	1366
+CC(C)CCNC(=O)c1nnc(N2CCNCC2)cc1	212
+C1CNCCN1c2ccc(C(=O)C)cc2F	34
+CC1(C)CCCC(C)(C)N1c2nc(N3CCNCC3)cc(N4CCCC4)n2	54
+O=S(=O)(n1c(ncc1)N2CCNCC2)N(C)C	1811
+C[Si](C)(C)CCOCn1c(Br)c(Br)nc1N2CCNCC2	1811
+C[Si](C)(C)c1ccc(cc1)C=C(F)c2nn(c(C)c2)Cc3ccnc(N4CCNCC4)c3	43
+C1CN(CCN1)Cc2cccc(C)c2	131
+C1CN(CCN1)c2c(cc(C(=O)OCC)c(n2)C)C#N	43
+C1CN(CCN1)c2c([N+]([O-])=O)cc(Cl)c(Cl)c2	34
+Clc1cc(cc(Cl)c1N2C=3C(=C(N2)C(C)C)C(=O)N=C(Cc4ccc(cc4)NC(=O)CN5CCNCC5)N=3)Cl	224
+C1CN(CCN1)c2nc(c3c(ccc(c3)Cl)n2)NN	549
+C1CNCCN1c2c3c(cc(cc3)Cl)on2	2573
+C1CN(CCN1)c2ccnc3cc(Cl)ccc23	264
+C1CN(CCN1)c2nc(Cl)ccc2	43
+FC(F)(F)Oc1cc2ccc(nc2cc1)N3CCNCC3	286
+FC(F)(F)S(=O)(=O)N1CCNCC1	6822
+C1CNCCN1c2c(C(=O)C)cc(Cl)c3cccnc23	1563
+FC(F)(F)c1cc(C(N2CCNCC2)c3ccccc3)ccc1	6823
+C1CNCCN1Cc2ccc3c(OC(F)(F)O3)c2	48
+C1CNCCN1c2sc(C#N)c(C)n2	641
+C1CN(CCN1)Cc2cccc(N=C3SC(=CN3COC)Br)n2	6824
+C1CNCCN1c2ccc(cc2N)[N+]([O-])=O	34
+C1CNCCN1CC(O)COc2c(OC)cccc2	170
+C1CNCCN1c2c(cccn2)OC	43
+C1CNCCN1c2ncc(Cl)cc2OC	323
+C1CN(CCN1)c2nccc(OC)c2	43
+C1CN(CCN1)c2ccc(S(=O)(=O)C)c(NC3CCCc4c(ccc(OC)c34)OC)c2	34
+C1CN(CCN1)CCC#C	3939
+C1CN(CCN1)c2cccc3n(ccc23)S(=O)(=O)c4c(C)cccc4	1578
+C1CNCCN1CCCC(c2c3cc(ccc3[nH]c2)F)=O	53
+C1CN(CCN1)c2sc(C(OC)=O)cn2	641
+C1CNCCN1c2nc(C)cc(C)c2	43
+C1CNCCN1c2cc(Cl)nnc2Cl	2558
+C1CNCCN1c2c3c4N(CCC3)C=C(C(=O)c4cc2)C(O)=O	202
+C1CNCCN1CCCCCC(=O)Nc2cc(OC)cc3c2nccc3C	28
+C1CNCCN1c2c(cc(OC)c(F)c2)F	79
+C1CN(CCN1)c2nc(c3c(c4c(cc(Br)cc4OC)[nH]3)n2)OCC	549
+C1CN(CCN1)c2noc3c2cc(cc3)C	2573
+C1CNCCN1c2c3c(ccc(C)n3)cc(Br)c2	6825
+C1CN(CCN1)CCCOc2cc(OC3CCOC3)c4c(ncnc4c2)Nc5cc(c(F)cc5)Cl	53
+C1CNCCN1c2ncc3ccccc3c2	43
+C1CNCCN1c2ccc(c(F)c2)C#N	34
+C1CNCCN1c2sc3c(n2)ccc(OC)c3	1912
+C1CNCCN1c2nc3ccc(cc3s2)[N+]([O-])=O	1912
+C1CN(CCN1)c2ncnc3ccc(nc23)-c4ccc(OC)c(C)c4	3940
+C1CNCCN1CCOc2c(cc(F)cc2)F	28
+C1CN(CCN1)Cc2c(F)cc(F)cc2	171
+C1CNCCN1C2=C(C(=O)N(C)c3ccc(cc23)F)C#N	1636
+C1CN(CCN1)c2c3ccccc3c([N+]([O-])=O)cn2	43
+C1CNCCN1c2nc3ccccc3cn2	549
+C1CN(CCN1)c2ccc3cc(OC)ccc3n2	286
+C1CN(CCN1)c2cnc(cc2)[N+]([O-])=O	244
+C1CN(CCN1)C(=O)Nc2cc(Cl)c(Cl)cc2	326
+C1CN(CCN1)c2cc(NCCNC(C)=O)nc(n2)-c3ccccc3	54
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCNCC4	1499
+c1cc(ccc1)C2=[N+](c3ccc(cc3N4CCN=C24)N5CCNCC5)[O-]	34
+C1CNCCN1c2nc(c3nc(Cl)c(NCc4ccccc4)nc3n2)N5CCC5	117
+c1cc(ccc1)S(c2ccc(cc2)Cc3csc(N4CCNCC4)n3)=O	641
+c1cc(ccc1S(=O)(=O)Nc2ncncc2)N3CCNCC3	79
+c1cc(ccc1N2CCNCC2)C(=O)OCC	34
+c1cc(ccc1Cl)-c2ccc(cc2)C(C)N3CCNCC3	1148
+C1CC(CCN1C)C(N2CCNCC2)c3ccc(cc3)F	1148
+C1CN(CCN1)C(c2ccc(cc2)Cl)c3ccccc3	2073
+c1cc(ccc1N2CCNCC2)C(=O)N	34
+C1CN(CCN1)c2nc(c(C(=O)N)cc2)Nc3ccc(cc3)C(N4CCOCC4)=O	43
+C1CN(CCN1)c2ccc(cc2)C(NCC)=O	34
+c1cc(ccc1F)CN2C(=O)C(=C(c3cc(C)ccc23)N4CCNCC4)C#N	1636
+C1CN(CCN1)C2=C(C#N)C(=O)N(Cc3ccc(cc3)F)c4ccccc24	1636
+C1CNCCN1c2ccc3c(c(ccc3)Br)n2	286
+C1CN(CCN1)CC2Oc3c(cccc3)C2	183
+C1CN(CCN1)c2ccc(C(=O)c3ccccc3C(OC)=O)cc2[N+]([O-])=O	202
+c1ccccc1CN2c3ccc(Cl)cc3C(N4CCNCC4)=C(C2=O)C#N	1636
+c1ccccc1Cc2c3ccccc3c(nn2)N4CCNCC4	212
+c1ccccc1Nc2c(ccc(c2)N3CCNCC3)[N+]([O-])=O	79
+O=S(=O)(N1CCNCC1)c2ccccc2	92
+c1ccccc1Sc2c(cc(cc2)N3CCNCC3)[N+]([O-])=O	34
+C1CNCCN1c2ccn3ncc(Br)c3n2	790
+C1CNCCN1c2cc(nc(C)n2)Nc3sc(C(Nc4c(C)cccc4Cl)=O)cn3	54
+C1CNCCN1Cc2nnc3nc(N)nc(c3n2)N	894
+C1CN(CCN1)CC(=O)Nc2cccc(-c3cnc4c(n3)cccc4)c2	224
+c1cc(ccc1N2CCNCC2)-c3cnc(nc3)N	79
+CC(C)(C)OC(=O)NC(C(=O)N1CCN(CC1)C(C(CC(C)C)NC(=O)c2sc3c(cccc3)c2)=O)CO	10
+CC(C)(C)OC(N1Cc2ccc(cc2CC1)CN3CCN(CC3)C(C4CCOCC4)=O)=O	48
+C1CN(CCN1CC(O)CCl)C(C2CCCO2)=O	170
+C1CN(CCN1c2nc3c(nc2)cccc3)C(=O)Nc4ccccc4C(OC)=O	1322
+C1CN(CCN1C(OCCCC)=O)C(=O)CNC(=O)OCc2ccccc2	10
+CC(C)(C)OC(=O)N1CCN(c2ncc(N3CCN(CC3)C(=O)OCc4ccccc4)cc2)c5ccccc15	244
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)C(OCc2ccccc2)=O	28
+CC(C)(C)OC(=O)NC(C(=O)N1CCN(CC1)C(OCc2ccccc2)=O)CC(C)C	10
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)C(N3CCN(CC3)C(OCc4ccccc4)=O)=O	30
+Cc1cccc(C)c1NC(=O)CCN2CCN(CC2)C(OCc3ccccc3)=O	3941
+O=S(=O)(Cc1c(ccc(N2CCN(CC2)C(OCc3ccccc3)=O)c1)[N+](=O)[O-])c4cccc5ccccc45	34
+C1CN(CCN1C(C)C)C(=O)c2c3c(c(c[nH]3)CN4CCOCC4)ccc2	85
+CC(C)(C)OC(Nc1cc(C)cc(CN2CCN(CC2)C(C)=O)c1)=O	48
+C1CN(CCN1C(C)=O)c2ccc([N+](=O)[O-])c(c2F)OC	34
+C1CN(CCN1C(C)=O)c2cc(ncc2)Nc3ncc(-c4cc(C(=O)O)cnc4)s3	264
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCC(N5CCN(CC5)C(=O)C)C)CC2	85
+C1CN(CCN1C(C)=O)c2cc(C)c(N)c([N+](=O)[O-])c2	79
+C1CN(CCN1C(C)=O)Cc2ccnc(c2C)Cl	171
+C1CN(CCN1C(C)=O)C(=O)c2cc(ccc2)-c3c4cc(ccc4ncn3)Br	30
+C1CN(CCN1c2cc(c([N+](=O)[O-])cc2)C#N)C(C)=O	34
+C1CN(CCN1C(C)=O)c2ccc(nc2)[N+]([O-])=O	244
+C1CN(CCN1c2cc(C)c([N+]([O-])=O)cc2)C(C)=O	34
+C1CN(CCN1c2cc(c([N+]([O-])=O)cc2)Nc3ccccc3)C(C)=O	202
+c1cc(ccc1C=C)N2CCN(CC2)C(C)=O	79
+c1cc(ccc1N2CCN(CC2)C(C)=O)C=O	34
+C1CN(CCN1C(=O)C)c2ccc(cc2)N3C4CN(CC4CC3)C	79
+C1CN(CCN1C(=O)C)c2cc(c(CN3CCCCN(S3(=O)=O)c4ccccc4)cc2)F	79
+C1CN(CCN1Cc2cc(Cl)nc(Nc3ncc(C#N)s3)c2)C(=O)NC	171
+C1CN(CCN1C(=O)NC)Cc2c(cnc(Nc3ncc(C#N)s3)c2)C	171
+c1cc(ccc1Oc2cccc(CN3CCN(CC3)C(=O)Nc4noc5c4cccc5)c2)Cl	48
+C1CN(CCN1c2ncnc3c2CCN(Cc4ccccc4)CC3)C5CCC5	54
+C1CN(CCN1C2CCC2)C(=O)OC3CCN(CC3)c4nnc(O)cc4	1011
+C1CN(CCN1c2nc(N)ccn2)C3CCCC3	117
+C1CCCCC1N2CCN(CC2)CCCCn3c4ccccc4nn3	53
+C1CN(CCN1C2COC2)c3c(cc([N+]([O-])=O)cc3)F	34
+C1CN(CCN1CCN2c3c(cccc3)NC2=O)C4Cc5ccc(OC)cc5Sc6c4cc(SC)cc6	53
+C1CN(CCN1CC(=O)c2cc(OC)c(cc2)OC)C=3C(=O)C=CC=CC=3	676
+C1CN(CCN1C(C23CCC4(C(CCC5C6(C(CCC45C)C(C)(C)C(OC(=O)C)CC6)C)C2C(C(C)=C)CC3)C)=O)CC	58
+C1CN(CCN1CC)c2nccc([N+]([O-])=O)c2	43
+FC(F)(F)c1cc(ccc1C(N2CCN(CC2)CC)=O)N	30
+C1CN(CCN1CC)CC(=O)Nc2nccc(c2)Oc3ccc(c([N+](=O)[O-])c3)NC	224
+C1CN(CCN1CC)c2c(C=O)c(ccc2)Cl	34
+C1CN(CCN1c2cc(Cl)c(cc2)C=O)CC	34
+C1CN(CCN1c2cccc(N(C(C)=O)C)c2)CC	79
+C1CN(CCN1CC)c2cc(C#N)c3c(C(N(C=N3)c4cc(C(=O)OC)ccc4C)=O)c2	560
+C1CN(CCN1CC)c2nc3c(cccc3)c(C)c2	286
+C1CN(CCN1CC)C(=O)OCc2cnc(C)cc2	1011
+C1CN(CCN1S(=O)(=O)c2sc3cc(ccc3c2)Cl)CC#N	1147
+C1CN(CCN1CC(COc2c(OC)cccc2)O)CC(Nc3c(cccc3C)C)=O	224
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N2CCN(CC2)CC(O)COc3cccc4[nH]c5c(cccc5)c34	92
+C1CN(CCN1CCOc2c(cc3c(c(Nc4cc(ccc4)Br)ncn3)c2)OC)CC(=O)OCC	28
+C1CN(CCN1C(c2ccccc2)=O)CC(=O)OCC	115
+C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC	61
+C1CC1CN2CCN(CC2)C(c3ncc(cn3)Br)=O	2090
+C1CNCCN1CCCCc2c3cc(F)ccc3[nH]c2	1283
+CC(C)(C)OC(N1CCN(CC1)CCCC(c2c3cc(ccc3[nH]c2)F)=O)=O	23
+C1CNCCN1CCCCCCNc2c3nccc(C)c3cc(OC)c2	15
+c1cc(ccc1CBr)C(=O)N2CCN(CC2)CCCCCCCCCCCCCCCCCC	115
+C1CN(CCN1C(=NC#N)SC)CCCCCCNc2c3nccc(C)c3cc(OC)c2	6826
+C1CN(CCN1CCCNC(C2CCCCC2)=O)c3nc(ccc3)[N+](=O)[O-]	43
+CC(C)(C)OC(N1CCN(CC1)CCCO)=O	23
+C1CN(CCN1C=O)CCN	6827
+FC(F)(F)c1[nH]c2c(c(OCCN3CCNCC3)ccc2)n1	1640
+C1CNCCN1CCOc2cccc(c2N)N=[N+]=[N-]	0
+C1CNCCN1CCOc2c(c(N)ccc2)N	912
+C1CN(CCN1CCc2ccc(cc2)Cl)C(c3ccc(cc3)[N+](=O)[O-])=O	30
+c1cc(ccc1CCN2CCN(CC2)CC(c3ccc(cc3)[N+](=O)[O-])=O)[N+]([O-])=O	676
+C1CN(CCN1C(CCc2cc(c(cc2)N(C)c3ccc([N+](=O)[O-])cn3)OC)=O)Cc4ccc5OCOc5c4	1857
+C1CN(CCN1Cc2cc3OC(F)(F)Oc3cc2)C(=O)Nc4cccnc4	437
+C1CNCCN1Cc2cc(-c3oc4c(cccc4C(=O)N)n3)ccc2	2692
+C1CN(CCN1CC#N)Cc2n(CCOCC)c3ncccc3n2	1321
+C1CN(CCN1Cc2cc3ccccc3cc2)Cc4nnc5c(c(N)nc(N)n5)n4	131
+CC(C)(C)OC(=O)N1CCN(CC1)N	23
+O=S(=O)(N1CCN(CC1)Cc2sc3c(c2)c(nc(Cl)n3)N4CCOCC4)C	509
+c1cc(ccc1N2CCN(CC2)S(=O)(=O)C)C(c3ccccc3C)CC(=NO)c4ccnc(C)c4	79
+O=S(=O)(C)N1CCN(CC1)C(=O)C(CCC(=O)OC)NC(=O)c2ccc(cc2)F	10
+c1cc(ccc1)-c2nn(CC(=O)N3CCN(CC3)S(=O)(=O)C)c4c2c(c(nn4)-c5ccccc5)Cl	10
+O=S(=O)(N1CCN(CC1)Cc2cc3c(C(Br)=CN(C3=O)C)o2)C	2693
+O=S(=O)(CC)N1CCN(CC1)c2cnc3N=CN(C(c3n2)=O)C	2089
+C1CN(CCN1S(=O)(=O)N)S(=O)(=O)CC	2694
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)CC	183
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)C(=O)c3ccccc3	115
+C1CN(CCN1)c2[nH]c(cc2C(=O)N)-c3ccnc(c3)Cl	1869
+CC(C)(C)OC(N1CCN(CC1)c2c3c(n[nH]c3)ncc2-c4ccccc4)=O	23
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4c(cc([N+]([O-])=O)cc4)C#N	1109
+C1CNCCN1c2ccccc2CO	49
+c1cc(ccc1C(C)C)CC(N2CCN(CC2)c3c(c(ncn3)N)C=NOCC)=O	10
+C1CNCCN1c2c(F)cc3C(=O)C(C(O)=O)=C4SC(C)N4c3c2F	108
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2c(N(S(=O)(=O)C)C)cccc2)Cc3ccc(cc3)Cl)=O	10
+C1CN(CCN1C(=O)C)c2c(nccn2)OC3CCN(CC3)c4ccc5ccccc5n4	58
+CC1(C)C(Nc2ccc(cc2C1)C(=O)OCC)c3cc(N4CCN(CC4)c5c(cc(C)cc5)C)ccc3	79
+CC1(C)CC(c2cccc(N3CCN(CC3)c4c(cc(C)cc4)C)c2)Nc5ccc(cc15)C(OCC)=O	79
+CC(C)(C)c1ccc(cc1)C(CCCN2CCN(CC2)c3cc(F)c(OC)cc3F)=O	53
+c1cc(ccc1)C(=O)CCN2CCN(CC2)c3cc(F)c(OC)cc3F	1644
+C1CN(CCN1)c2c(F)cc3c(NC(=S)N3)c2	1357
+C1CN(CCN1C(c2c(C)onc2-c3ccccc3OC)=O)c4cc(N)c(cc4Cl)[N+](=O)[O-]	2560
+C1CN(CCN1c2c(cc(cc2)[N+](=O)[O-])Cl)C(C(C)C)=O	58
+C1CN(CCN1c2ccccc2OC)CCC(=O)OCC	1877
+C1CN(CCN1CCC#N)c2ccccc2OC	987
+C1CN(CCN1)c2cc([N+]([O-])=O)ccc2OC	31
+C1CN(CCN1C(=O)CCc2c([nH]c3ccc(cc23)Cl)-c4ccc(cc4)Cl)c5c(OC)cccc5	10
+c1cc(ccc1C2(CCC2)C(N3CC(CN4CCN(CC4)c5c(OC)cccc5)CCC3)=O)Cl	123
+FC(F)(F)c1ccc(cc1)-c2nn(c3c2CN(CC3)S(=O)(=O)C)CCCN4CCN(CC4)c5c(cccc5Cl)[N+](=O)[O-]	61
+C1CN(CCN1CCC(C(=O)N2CCCCCC2)c3ccccc3)c4c5cc([nH]c5ccc4)C(OC)=O	53
+C1CN(CCN1c2noc3cc(ccc23)Cl)CCCCOc4cc5NC(=O)CCc5cc4	53
+CC(C)(C)OC(N1CCN(CC1)c2cc(Br)cc3c2nc(C)cc3)=O	23
+c1cc(ccc1CCN2CCN(CC2)c3cccc4c3nc(CCC(=O)OC)cc4)OCCCN5CCCCCC5	123
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(nc5c4cc(CC)s5)Cl)=O	115
+C1CN(CCN1c2ccc3c4c2CCCN4C=C(C3=O)C(O)=O)S(=O)(=O)C	112
+C1CN(CCN1c2cccc3c2ccc(C)n3)CCc4cccc([N+](=O)[O-])c4	123
+C1CN(CCN1c2c3c(nc(cc3)C)ccc2)CCc4cc(ccc4F)Br	61
+C1CN(CCN1c2c3ccccc3sn2)C(=O)c4c(ccc(c4)S(=O)(=O)C)OC(C)C	30
+CC1(C)CC(Nc2c(cc(cc12)CCCN3CCN(CC3)c4nsc5c4cccc5)CC)=O	53
+c1cc(ccc1)C(=O)N2C(N(C3CCCCC23)CCCCN4CCN(CC4)c5nsc6ccccc56)=O	28
+C1CN(CCN1CCc2cccc(C)c2[N+](=O)[O-])c3nsc4c3cccc4	236
+C1CN(CCN1CCc2c(cccc2)[N+]([O-])=O)c3nsc4c3cccc4	236
+C1CN(CCN1c2nsc3c2cccc3)CCc4ccc(cc4)[N+]([O-])=O	236
+C1CN(CCN1c2cc(cc3c2nccc3)C)CCc4c5c(oc4)cc(cc5)OC	183
+C1CN(CCN1)c2cc(Cl)nnc2N(C)C	212
+C1CN(CCN1CCCCC)c2c(C=3CCC(C)(C)CC=3)ccc(OC)c2	61
+C1CN(CCN1c2cc(c(cc2)NS(=O)(=O)C)C)CCc3ccc(cc3)NS(=O)(=O)C	123
+C1CN(CCN1c2cccc(-c3c(F)cc(F)cc3)c2)C(Nc4nnccc4)=O	2076
+C1CN(CCN1c2cc(ccc2)OC)Cc3ccc(cc3)[N+]([O-])=O	171
+C1CN(CCN1c2cccc(OC)c2)C(=O)c3c(-c4cc(ccc4)F)noc3N	2560
+C1CN(CCN1c2c(OC)ccc(-c3ccccc3)c2)C(=O)Nc4cc(c(cc4OC)C)C	437
+C1CN(CCN1C(Nc2c(C)c(C)no2)=O)c3nccc(c3)-c4c(F)c(F)ccc4	2076
+CC(C)(C)OC(c1c(-c2ccc(cc2)Cl)c3sc(nc3cc1C)-c4ccnc(N5CCNCC5)c4)C(OCC)=O	6828
+CC(C)(C)OC(N1CCN(CC1)c2ccc3[nH]nc(S(=O)(=O)c4c5c(ccc4)cccc5)c3c2)=O	23
+C1CN(CCN1CCCCc2c3c(ccc(C#N)c3)[nH]c2)c4cc5cc(C(=O)OC)oc5cc4	236
+C(C)N(CC)C(C(c1ccccc1)N2CCN(CC2)c3c(cc(cc3)C=O)F)=O	6829
+C1CN(CCN1C(CN2C(Oc3cc(ccc23)O)=O)=O)c4ccc(Cl)c(c4)OC	10
+C1CN(CCN1C(=O)Oc2ccc(cc2)[N+]([O-])=O)c3ccc(F)cc3F	66
+C1CN(CCN1S(=O)(=O)C)c2ccc(cc2)-c3c4c5c(scc5)c(O)nc4ccc3OC	112
+C1CN(CCN1c2nnc(cc2)Cl)c3ccc(cc3)N4C5CN(CC5CC4)C	212
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)O)=O	23
+C1CN(CCN1c2c(N)cc(cc2)[N+]([O-])=O)C(=O)c3ccccc3	115
+C1CN(CCN1c2cccc3c2cccc3)CCc4ccc5NC(Cc5c4)=O	53
+C1CN(CCN1CCc2c3ccc(cc3oc2)OC)c4c5ncccc5ccc4	183
+CC(C)(C)OC(NC(Cc1ccc(cc1)Cl)C(=O)N2CCN(CC2)c3ccccc3CN(C)C)=O	10
+c1cnccc1OCc2c(N3CCNCC3)cccc2	260
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccccc2[N+]([O-])=O	23
+C1CN(CCN1c2c(cccc2)[N+]([O-])=O)Cc3ccccc3	131
+C1CN(CCN1c2nc3c(Br)cnn3cc2)C(=O)OC(C)C	66
+C1CN(CCN1c2cc(C)cc(n2)C)c3ccc(c(C)c3)[N+](=O)[O-]	202
+C1CN(CCN1c2nc3c(c(N)n2)cc(OC)c(OC)c3)C#N	739
+C1CNCCN1c2nc3c(nc(c(N4CCS(CC4)=O)n3)SCCC)c(N5CCOCC5)n2	3483
+CC(C)c1cc(nc(n1)N2CCN(CC2)S(=O)(=O)c3ccc(cc3)OC)Nc4ccc(cc4)C	92
+CC(C)Oc1c(cc(S(=O)(=O)C)cc1)C(N2CCN(CC2)c3nc4c(cc([N+]([O-])=O)cc4)s3)=O	30
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3nc(OC4CC(C=C4)OC5OCCCC5)c6ccccc6n3	66
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncc3c(c2)cccc3	23
+C1CN(CCN1c2ncccc2[N+]([O-])=O)C(OCc3ccccc3)=O	66
+CC(C)(C)OC(N(C)CCN1CCN(CC1)c2c(nccn2)Cl)=O	61
+C1CN(CCN1c2c(OC)cncn2)CCCc3c4c(ccc([N+](=O)[O-])c4)[nH]c3	28
+CC(C)c1onc(N2CCN(CC2)c3c(C#N)cc(cn3)Br)n1	43
+C1CN(CCN1CCCCc2c3cc(ccc3[nH]c2)C#N)c4sc(C#N)c(n4)C	236
+CC(C)Oc1c(cc(S(=O)(=O)C)cc1)C(N2CCN(CC2)c3sc4c(n3)ccc(OC)c4)=O	30
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2nc3c(cc(cc3)C(OC)=O)s2)Cc4cccs4)=O	10
+C1CN(CCN1c2scc(-c3ccccc3F)n2)C(OCC(C)C)=O	66
+C1NCCN(CCNCCNC1)CC(=O)NCc2nc3c(c4ccccc24)cccc3	224
+C1CNCCNCCNCCN1Cc2ccc(cc2)[N+](=O)[O-]	131
+C1CNCCNCCN(CCN1)Cc2ccc(cc2)N	0
+C1CS(=O)(=O)CCN1C(c2n(c3c(cc(cc3)O)c2)C(C)C)=O	147
+c1cc(ccc1-c2c(oc(n2)-c3cccc(Cl)c3F)C4CCCCC4C(=O)OC)N5CCS(=O)(=O)CC5	79
+C1CN(CCS1(=O)=O)C(=O)c2ccc(OCc3c(noc3C)-c4ccc(cc4)F)nc2	211
+C1CN(CCS1(=O)=O)C(=O)Oc2ccc(cc2)[N+]([O-])=O	66
+c1cc(ccc1Cl)-c2cc(C(=O)N3CC[Si](C)(C)CC3)c(C)n2-c4ccc(cc4)Cl	211
+C1CCC2c3c(F)ccc4c3N(CCNCC4)C12	6830
+CC(C)(C)OC(N1CCc2occc2CC1)=O	23
+CC(C)(C)NC(N1Cc2c(C(=O)N)c(c(Br)n2CC1)-c3cc(ccc3)F)=O	384
+CC(C)(C)OC(=O)N1CCn2c(c(C(OCC)=O)c(-c3cccc(F)c3)c2Cl)C1	23
+c1ccccc1CC(N2CCCc3c2c4c(cn3)cccc4)=O	2052
+CC(C)(C)c1cc(c(CCO)cc1)C(C)(C)C	2589
+C(CCC)CCCCN1C(=O)C2(C(C)C(N(CCO)C(CC)(C)C2)(CC)C)NC1=O	170
+FC(F)(F)Oc1ccc(cc1)OC2CCN(CC2)CCO	170
+C(O)Cn1ccc2ccccc12	2695
+c1cc(ccc1C(OC)=O)COCCO	850
+c1cc(ccc1CCOC2OCCCC2)CCO	2589
+c1(CCO)cc(C)cs1	6831
+C1COC(O1)(C2OCC(N(Cc3ccccc3)C2)=O)C	467
+C1COC(O1)(C)Cc2cccc(NC(=O)NCc3ccccc3)c2	406
+C1COC(O1)(C)Cc2cc(N)ccc2	0
+c1cc(ccc1)CNC(=O)Nc2cc(ccc2)CC(=O)C	97
+C1COC(O1)(C)c2cc(CO)ccn2	2696
+O=S(=O)(C)OCc1cc(C2(OCCO2)C)ncc1	7
+C1COC(O1)(C)c2ccc(s2)CC(O)=O	459
+c1cc(ccc1)CN2CC(OCC2)C3(OCCO3)C	15
+C1COC(O1)(COc2cc3c(cccc3)cc2)C=CC4C(O)CC5OC(CC45)=O	682
+O1CCOC1(C=CC2C(OC3CCCCO3)CC4OC(O)CC24)COc5cc6c(cccc6)cc5	2697
+O1CCOC1(CC2(CC2)O)c3c(ccc(c3)Br)F	6832
+O=C(CC(CC(OC)=O)O)C	97
+C1COC(O1)(C)CCC#CCCCC#N	913
+O1CCOC1(C)CCC(=O)O	3
+C1COC(O1)(CCC)CCOc2ccnc(CS(c3nc4ccccc4[nH]3)=O)c2C	172
+c1ccccc1[Si](c2ccccc2)(OC3CC4OC(CC4C3CCC5(OCCO5)COc6cccc(Cl)c6)=O)C(C)(C)C	328
+C1COC(O1)(CCCCn2ncc([N+](=O)[O-])c2)C	338
+C1COC(O1)(CCCCn2cc(N)cn2)C	209
+O1CCOC1(C)CCCNc2c([N+]([O-])=O)cnc3ccccc23	105
+c1cc(ccc1F)C(=O)CCCN2CC(CCC2)CO	1367
+CC(C)(C)OC(N(CC(=O)OCC)CCCC1(OCCO1)C)=O	663
+O1CCOC1(CCOc2c(C)c(C)[n+]([O-])cc2)CCC	857
+C1COC(O1)(C=CC2C3C(OC(=O)C3)CC2OC4OCCCC4)COc5cc6c(cccc6)cc5	1646
+C1COC(O1)(c2cccc(CC3=NC(CO3)C(=O)OC)c2)C	3942
+C1COC(O1)(c2ccc(s2)CC3=NC(CO3)C(=O)OC)C	3942
+C1COC(O1)(C)c2ccc(s2)Cc3occ(C(=O)OC)n3	3943
+c1(Cl)cc2c(o1)ccc(c2)C(CC)=O	1367
+C1COC(O1)(c2cccc(Cc3occ(C(=O)OC)n3)c2)C	3943
+c1c(cc(Cc2occ(n2)C(=O)OC)cc1)C(=O)C	1367
+C1COC(O1)(C)c2cccc(CC(O)=O)c2	3
+CC(C)(C)OC(N1CC(C1)OCCO)=O	6833
+CC(C)(C)OC(Nc1cc(Cl)c(c(c1)Cl)OCCO)=O	2091
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCCO)CC2	2091
+c1(C=O)cccc(OCCO)c1	2091
+c1cc(ccc1OCCO)SC(CC)C	2091
+O=C(OCC)C(=Cc1cc(c(cc1)-n2cc(nc2)C)OC)CCCC=O	812
+O1CCOC1CCN(C(c2cc(-c3c(Cl)c(OC(F)F)n(n3)C)c(cc2Cl)Cl)=O)C	30
+COc1cc2c(cc1)C(=CC(=O)N2CC=O)C	812
+c12ncc(OC)cc1N(C(=O)C=C2)CC=O	812
+N1(C(c2cc(ccc2C=C1)C(=O)OC)=O)CC=O	812
+COc1cccc2c1C=CC(=O)N2CC=O	812
+O1C(c2c(cc(CC=O)cc2)C1)=O	812
+O1CCOC1c2ncc(F)cc2N	13
+CC(C)(C)OC(NCCOCCOCCOCCOc1cc(C2OCCO2)cc(OC)c1OC)=O	37
+C1COC(O1)c2cc(OCCOCCOCCOCCN)c(OC)c(c2)OC	18
+c1(C=O)ccc(Oc2ncc(nc2)C(=O)N)c(F)c1	494
+c1cc(ccc1C=O)-c2nnc(-c3ccccc3[N+](=O)[O-])o2	494
+OB(O)c1c(ncc(C2OCCO2)c1)F	2698
+O1CCOC1c2cc(C(C)(C)CO)ccc2	95
+COC(OC)C(O)(C)c1sc(C=O)nc1	6834
+O1CCOC1c2ncccc2N	13
+C1CC(CCC12OCCO2)(CC)CO	95
+C1CC(CCC1(C)O)=O	97
+O1CCOC12CCC(CC2)(C)OC	76
+C1CC(CCC1=O)(OC)Cc2ccccc2C	97
+C1COC2(O1)CCC(c3c(OCOC)cc(OCOC)cc3)=CC2	252
+C1CC(CCC1=O)C=C	97
+C1COC2(O1)CCC(CC2)C3CO3	553
+C1CC2(CCC1C(N(C)C)C#N)OCCO2	6835
+C1CC(CCC1CCO)=O	97
+c1ccccc1COCCC2CCC3(CC2)OCCO3	149
+C1CC(CCC1CO)=O	97
+C1CC2(CCC1COS(=O)(=O)C)OCCO2	7
+C1CC2(OCCO2)CCC1COCc3ccccc3	149
+C1CC(CCC1N(S(=O)(=O)c2ccc(cc2)Nc3nccc(Nc4ccc(cc4)F)n3)CCN5CCCC5)=O	97
+C1COC2(O1)CCC(CC2)N3C(C(CC3)Cc4c(Cl)cc(cc4Cl)OC)=O	1554
+C1CC(CCC12OCCO2)N(CC)C(OCc3ccccc3)=O	66
+C1COC2(CCC(CC2)Nc3[nH]ncc3)O1	3715
+C1COC2(CCC(CC2)OS(=O)(=O)C)O1	7
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(nc3)C4CCC5(OCCO5)CC4)ncnc12	1647
+C1CC(CCC1n2cc(cn2)I)=O	97
+C1CC(CCC12C(=C(c3c(ccc(c3)Br)C)C(=O)N2)O)=O	97
+c1cc(ccc1)C23c4c(CCC2C(C5(OCCO5)CC3)C)c(OC)nc(n4)-c6ccccc6OC	145
+C1COC2(O1)CCCCC2COCc3ccccc3	149
+c1ccccc1C=2CCN(CC3CCCC4(OCCO4)C3)CC=2	15
+C1COC2(O1)CC(NCC2)CN3CCCC3	15
+c1ccccc1COC(=O)NC2CCC3(OCCO3)CC2(C)C	101
+c1cc(ccc1F)C2CC3(OCCO3)Cc4sc(Nc5cc(c(-n6cc(nc6)Cl)cc5)OC)nc24	2522
+C1COC2(O1)CC=C(CC2)c3c(ccc(C(OC)=O)n3)F	128
+C1CC2(CCC1(N)C)OCCO2	102
+c1cc(ccc1C2(CCC(CC2)=O)CO)Br	97
+O1CCOC12CCC(CC2)Cc3c(cccc3)Cl	1028
+C1CC(CCC12OCCO2)C3CCC(CC3)c4c(cc(cc4)C5CCC(CC5)CCCCC)F	191
+C1COC2(CCC(CC2)C(CN=[N+]=[N-])O)O1	1648
+C1CC(CCC1=O)CC(=O)O	97
+C1CC(CCC1=O)N2C(=O)C(=C(n3ncnc23)CCC)Cc4ccc(cc4)-c5ccccc5C#N	97
+C1CC2(OCCO2)CCC1N3c4n(C(CCC)=C(Cc5ccc(cc5)-c6c(C7=NOC(=O)N7)cccc6)C3=O)ncn4	618
+c1(Cl)cc(cc(Cl)c1CC2C(N(C3CCC(CC3)=O)CC2)=O)OC	97
+C1CN(CCO1)C2CCC(CC2)=O	97
+FC(F)(F)C(=O)N(C(C)c1ccccc1)C2CCC3(OCCO3)CC2	520
+C1COC2(CCC(CC2)N(CCN3CCCC3)S(=O)(=O)c4ccc(cc4)Nc5nccc(Nc6ccc(cc6)F)n5)O1	92
+C1CC(CCC12OCCO2)c3c(cc(OCOC)cc3)OCOC	191
+C1CN(CCN1c2ccccn2)CC3CCCC4(OCCO4)C3	15
+C1COC2(O1)CC(C(N3CCC(=CC3)c4ccccc4)=O)CCC2	2699
+c1cc(ccc1)COCC2C(CCCC2)=O	97
+C1CN(CCC1=O)Cc2cc(c(cc2)F)F	97
+O1CCOC12CCN(CC2)c3nc4ccccc4n3Cc5ccc(cc5)F	505
+O1CCOC12CCc3c(sc4c3c(O)ncn4)C2	1868
+CC(C)C(NC(=O)OC)C(N1CC2(OCCO2)CC1C(=O)O)=O	4
+C1COC2(O1)COC(CCCC=O)(C)CCC2	24
+C1COC2(O1)CCCC(CCCC(C)=O)(C)OC2	86
+C1COC2(O1)COC(CCCC(O)C)(CCC2)C	2700
+C1COC2(O1)COC(OC2)(CCOc3ccnc(CSc4nc5ccccc5[nH]4)c3C)CC	3944
+C1COC2(O1)COC(OC2)(CC)CCOc3ccnc(CO)c3C	813
+C1COC2(O1)COC(OC2)(CCOc3c(C)c(CS(c4nc5ccccc5[nH]4)=O)ncc3)CC	172
+c1ccccc1COC(=O)NCc2nc(c3COCCc3n2)O	3945
+CC(C)(C)OC(n1cc(c2nccc(Cl)c12)C(NC3CCOCC3O)=O)=O	3946
+CC(C)(C)OC(n1c2c(c(C(NC3CCOCC3O)=O)c1)nccc2C)=O	3946
+CC(C)(C)OC(NCC1CCC(CC1)CNC(c2cc(nc3ccccc23)-c4cnc(cc4)OCC5COCC5)=O)=O	430
+O=S(=O)(OCC1COCC1)C	710
+c1cc(ccc1S(=O)(=O)OCC2CCOC2)C	36
+n1c(nc(Cl)c(C)c1NC2COCC2)Cl	40
+FC(F)(C)C(=O)NC(C)C(Oc1cc2cnn(-c3cccc(C(NC4COCC4)=O)c3)c2cc1)c5ccc(OC)nc5	2527
+C(=O)(OC1CCOC1)Cl	2701
+c1(COC2CCOC2)ncccc1	2702
+[N+]([O-])(=O)c1ccccc1OC2CCOC2	57
+c1cc(ccc1C=O)OC2CCOC2	20
+CC(C)(C)OC(NC1(CCOCC1)C#N)=O	37
+C1COCCC1(C#N)c2cc(cc(c2)F)Sc3ccc4c(ccc5cnc(C)n45)c3	1336
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(cc(C3(CCOCC3)C(=O)OC)cc2)C=4CCCCC=4	616
+c1cc(ccc1C2(CCOCC2)C(OC)=O)OCCCN3CCCC3	27
+C1COCCC1(CN)C	51
+c1cc(ccc1C2(CCOCC2)CCN)F	51
+C1COCCC1(C)CNc2cccc(n2)Br	182
+C1COCCC1(O)CNc2c3ccccc3ncc2[N+]([O-])=O	105
+O=S(=O)(C)OCC1(CCOCC1)F	7
+C1COCCC1(c2scc(COc3cc(Cl)cc4oc(-c5nc6n(nc(OC)s6)c5)cc34)n2)F	3947
+C1CC(CCO1)(CNc2c3ccccc3ncc2N)O	13
+C1CC(CCO1)(C2=CC=CC(=C=[N-])[N+]2=O)O	1649
+C1CC(CCO1)(C(=O)OC)c2cc(cc(OCc3ccc4c(c3)nc(cc4Cl)Cl)c2)F	22
+c1cc(ccc1)COc2cc(cc(F)c2)C3(CCOCC3)C=O	24
+C1COCCC1(C(=O)OC)c2cc(C3=CCCCC3)c(N)cc2	563
+C1CC(CCO1)(c2ccc(cc2)CCCNC(c3cccc4ccccc34)C)C(=O)NCC(=O)OC	188
+C1COCCC1(OC)c2cccc(COc3c4c(cc(c3)OC)oc(-c5nc6n(nc(C(C)F)s6)c5)c4)n2	1963
+C1COCCC1(O)c2cccc(n2)CN	421
+CC(C)(C)OC(=O)CNC(=O)C=1C(=O)C2(CCOCC2)c3ccccc3C=1O	3948
+c1cc(ccc1Cl)C=2C(NC3(CCOCC3)N=2)=O	6836
+C1COCCC1Cc2ccc(OC)cc2[N+](=O)[O-]	1028
+C1COCCC1(C)C#N	6837
+C1COCCC1CNC	6838
+C1COCCC1C(=O)c2sc(C(OC)=O)c(c2)N=CN(C)C	6839
+C1CC(CCO1)C(=O)c2cc3c(s2)C(=O)N(c4ccc(cc4)N5CCN(CCC5)C)C=N3	3949
+C1COCCC1C(C)Nc2nc(Br)c(Cl)cc2	395
+C1COCCC1C(C)Nc2cccc(Br)n2	182
+CC(C)(C)OC(=O)N(C(C(=O)NC(C1CCOCC1)C(=O)N2C(Cc3cccnc23)C(OCC)=O)C)C	207
+C1COCCC1C(N)C	18
+C1CC(CCO1)c2nc3cnc4cc(-c5c(noc5C)C)c(cc4c3n2C(COC)C)OC	6840
+C1CC(CCO1)C2c3ccccc3N(CC(N)=O)CC2	3950
+C1COCCC1C2c3c(NCC2)cccc3	15
+CC1(C)CC(C)(C)C=C(C1)c2c(N3CCN(CC3)CC4CCOCC4)cccc2F	61
+C1CC(CCO1)C(C2CC(OC)=C(c3c(C)cc(cc3C)Br)C2=O)O	6841
+C1COCCC1CN2c3ccccc3C4(c5cc(OC)ncc5OC4)C2=O	988
+c1cc(ccc1C=CC(=O)OC)C2CCCN2CCc3c(C)nn(c3C)CC4CCOCC4	338
+FC(F)(F)c1nc(ncc1NC(CC2CCOCC2)=O)Nc3cccc(Cl)c3	1616
+C1CC(CCO1)CC(c2ncc(cc2)SC)C(=O)CCC(=O)c3ccccn3	3711
+C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4	2605
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)c4ccc(-c5sc(cn5)C(O)(C)C(OC)OC)[nH]4	3951
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)c4ccc(-c5sc(C6OC(C)(C)OC6)cn5)[nH]4	3951
+c1cc(ccc1C(C)(C)O)-c2cnc3NC(=O)CN(CCC4CCOCC4)c3n2	1368
+FC(F)(F)c1c(C(=O)N(CC2CCOCC2)C)cnc(Nc3cccc(Cl)c3)n1	1369
+C1CC(CCO1)CN(C)C(=O)c2ccc3c(non3)c2	115
+C1COCCC1CNC(=O)c2cnc(cc2)N3C(C(c4ccc(cc4C)C#N)C=N3)=O	2477
+FC(F)(F)Cc1nc2cc(N(S(=O)(=O)c3ccccc3)C)ccc2n1CC4CCOCC4	953
+CC(C)(CC)C(Nc1cc(ccc1NCC2CCOCC2)NC(C)=O)=O	26
+C1COCCC1CNc2c(N)cc(cc2)NC(C)=O	0
+C1COCCC1CNc2c(N)cc(cc2)N(C)S(=O)(=O)c3ccccc3	0
+CC(C)(C)c1n(c2ccc(N(C(=O)C)CC)cc2n1)CC3CCOCC3	849
+C1CC(CCO1)Cn2c(nc3c2ccc(N(C(=O)C)CC)c3)C(C)(C)O	953
+C1COCCC1CNc2c(cc(cc2)N(C(C)=O)CC)N	0
+CC(C)(C)OC(=O)N(CC1CCOCC1)c2n3ncc(c3nc(Cl)c2)Br	1157
+c1cc(ccc1N2CCN(CC2)C3COC3)Nc4ncnc(-c5cc(c(cc5)OCC6CCOCC6)C#N)n4	57
+C1COCCC1COc2cc(ccc2)Br	885
+FC(F)(F)C(=O)NCC=Cc1cccc(OCC2CCOCC2)c1	858
+C1COCCC1Cc2c(cc(cc2)OC)N	0
+C1COCCC1Cn2c3c(nc2C(C)(C)CC)cc(cc3)N	106
+C1COCCC1Cn2c(nc3c2ccc(S(=O)(=O)n4ncc(c4)C(=O)NC(C)C)c3)C(C)(C)CC	597
+C1COCCC1Cn2c(nc3c2ccc(S(=O)(=O)n4cc(C(O)=O)cn4)c3)C(C)(C)CC	6842
+C1COCCC1Cn2c(nc3c2ccc(S(=O)(=O)n4ncc(c4)C=O)c3)C(C)(C)CC	3952
+C1COCCC1Cn2c3c(nc2C(C)(C)OC)cc(cc3)NCC	621
+C1COCCC1Cn2c(nc3c2c4c(nc3N)cccc4)CCl	461
+CC(C)(C)OC(N1CCN(CC1)c2c3ccncc3cc(n2)-c4ccnc(NC5CCOCC5)c4)=O	70
+CC(C)(OCC)c1c(CC2CCC(CC2)(F)F)n3c(n1)cc(cc3C)C(NC4CCOCC4)=O	14
+CC(C)NC(=O)C1CCN(CC1)c2c3c(cc(n2)-c4ccnc(NC5CCOCC5)c4)cncc3	70
+C1CC(CCO1)Nc2c3c(n(C(C)C)nc3C)nc(-c4cc(O)ccc4)c2C(=O)OCC	1594
+C1CC(CCO1)Nc2cc(-n3c4c(c(C)c3)C(CC(C)(C)C4)=O)ccc2C(N)=O	6843
+C[Si](C)(C)CCOCn1cc(C(NC2CCOCC2)=O)c(n1)-c3sc4c(CCCC4)n3	597
+C[Si](C)(C)CCOCn1c2c(c(NC3CCOCC3)nc(Cl)n2)c(-c4ccncc4)c1	974
+C1COCCC1NC(=O)c2nn(c(OCc3c(onc3-c4ccccn4)C)c2)C	658
+C1COCCC1NC(c2ccc(NCc3c(noc3C)CCCC)nc2)=O	56
+C1CC(CCO1)Nc2cc(nc3cc(nn23)C(=O)OCC)Cl	1005
+C1COCCC1Nc2nc(Cl)ncc2Br	40
+C1CC(CCO1)Nc2nc(N)nc(c2N)Cl	40
+C1COCCC1Nc2c(C#N)ccc(c2)-c3cccc4C(CCCc34)=O	60
+C1COCCC1Nc2ncc3C=C(c4cc(C(=O)NC5CC5)ccc4C)C(=O)N(C)c3n2	435
+C1COCCC1Nc2ncc3C=C(C(=O)N(C)c3n2)c4cc(-c5nnc[nH]5)ccc4C	785
+C1CC(CCO1)NCCCCn2c(nc3c2nc(nc3N)OC(CCC)C)OC	284
+C1COCCC1Nc2c(cc(cc2)C(=O)O)[N+]([O-])=O	60
+C1COCCC1Nc2c(cnc(-c3c4cnccn4nc3)n2)[N+]([O-])=O	40
+C1COCCC1Nc2c3cnn(CC)c3ncc2C(OCC)=O	1594
+c12-c3c(cccc3)C(c1cccc2)COC(NC(c4nc(c5c(Cl)cccc5c4)C(=O)NC6CCOCC6)C)=O	81
+C1COCCC1Nc2cc(ccc2C#N)F	60
+C1CC(CCO1)NC(c2cnc(OCc3c(noc3C)-c4ccccc4F)cc2)=O	1650
+C1CC(CCO1)NC(=O)c2c(Oc3ccc([N+]([O-])=O)cc3F)cc4cnn(C5OCCCC5)c4c2	14
+c1cc(ccc1)-c2noc(C)c2-c3oc(-c4c(OC)cc(cc4)NC5CCOCC5)nn3	60
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(cn3)C(NC4CCOCC4)=O)F	1650
+c1cc(ccc1F)-c2c(n(nn2)C)C#Cc3ccc(C(NC4CCOCC4)=O)cn3	56
+c1ccccc1CCCN2c3nc(ncc3N(C(=O)C(F)(F)C2)C)Nc4ccc(cc4OC)C(=O)NC5CCOCC5	14
+CC1(C)C(C)(C)OB(O1)c2cnc(N(C)C3CCOCC3)cc2	234
+C1COCCC1N(c2ncc(N)cc2)C	13
+C1COCCC1N(CC)c2c3c(ccc2)C(NCc4c(O)nc(C)cc4C(CC=CC3)C)=O	104
+C1COCCC1N(c2cccc3C(=O)NCc4c(nc(cc4C(C)CCCCc23)C)O)CC	460
+C1COCCC1N(CC)c2c3CC=CCC(C)c4c(CNC(c3ccc2)=O)c(nc(c4)C)OC	2463
+C1COCCC1N(c2c(CC=C)c(C(=O)NCc3c(nc(cc3C(CC=C)C)C)OC)ccc2)CC	14
+C1COCCC1N(c2c(c(C(O)=O)ccc2)CC=C)CC	1
+C1COCCC1N2c3nc(ncc3NC2=O)Nc4c(O)nccc4	104
+C1CC(CCO1)N2C(=O)C3(COCCN3c4c2cnc(Cl)n4)C	3719
+C1COCCC1N2CCN(C(Nc3ccc(Oc4cc(ncc4)-c5cn(nc5)C)cn3)=O)C2=O	3953
+FC(F)(F)S(=O)(=O)Oc1c2c(n(C3CCOCC3)n1)ccnc2OC	3801
+C1CC(CCO1)N2C(=O)N(C(=O)c3cc(CN)ccc23)Cc4ccc(OC)c(c4)OC	107
+C1CC(CCO1)N2c3c(N(C)C2=O)cnc4ccc(Br)cc34	3954
+C1COCCC1N(C)c2ccc(cn2)[N+]([O-])=O	323
+C1CC(CCO1)N2C(NCC2)=O	6844
+C1COCCC1NC(=O)c2cc(n(CC3CCCCC3)c2C)-c4cc(C(C)(C)O)c(cc4)-c5n(ncc5)C(C)C	6845
+CC(C)(C)c1c(ccc(c1)-c2n(CC3CCCCC3)c(C)c(C(=O)NC4CCOCC4)c2)O	3955
+C1CC(CCO1)N(CC)C(=O)Cl	2703
+C1CC(CCO1)Nc2c(ccc(c2)-c3c4c(ccc3)C(CCC4)=O)C(N)=O	216
+C1COCCC1Nc2c(CNC(CCC(O)=O)=O)c(nc3c2cnn3CC)CC	4
+C1COCCC1N2C(C3N(CCOC3)c4nc(Cl)ncc24)=O	6846
+C1COCCC1Nc2ccc(cc2N)C(O)=O	0
+C1COCCC1Nc2nc(ncc2N)-c3cnn4ccncc34	193
+CN(C)C(c1c(-c2cc(O)ccc2)nc3n(C(C)C)nc(c3c1NC4CCOCC4)C)=O	211
+C1COCCC1Nc2c3c(nc(CC)c2CNC(=O)CC(=O)O)n(CC)nc3	3
+C1COCCC1Nc2c3cnn(CC)c3nc(CC)c2CNC(c4cccc(C(=O)O)n4)=O	1
+C1CC(CCO1)Nc2c(c(nc3n(CC)ncc23)CC)CNC(c4nc(C(NCc5ccc(c(c5)Br)OC)=O)ccc4)=O	81
+C1CC(CCO1)Nc2c(cnc3c2cnn3CC)C(O)=O	6
+C1CC(CCO1)Nc2cc(ccc2C(=O)O)[N+]([O-])=O	6
+C1COCCC1Nc2cc(NN)ccc2C#N	2092
+C1CC(CCO1)n2c(nc3c2ccc(C(O)=O)c3)C	849
+C1COCCC1Nc2nc(N)ncc2Br	911
+C1CC(CCO1)Nc2c(-c3c(Cl)cncc3)cnc(n2)N	6847
+C1CC(CCO1)OC(C(=O)O)c2cc(Cl)c(Cl)cc2	4
+CC(C)(C)OC(N1Cc2c(nn(C3CCOCC3)c2CC1)Br)=O	1647
+C1CC(CCO1)Oc2ccc(cc2C=O)I	624
+C1CC(CCO1)Oc2cc(ccc2Nc3c4c(sc(C(OC)=O)c4C)ncn3)F	1500
+C1COCCC1Oc2c(N)ccc(F)c2	0
+CC1(C)OB(OC1(C)C)c2cc(C#N)c(OC3CCOCC3)cc2	17
+C1COCCC1Oc2c3c(ccc2)C(c4c(cc(Nc5ccc(F)cc5F)cc4)CC3)=O	1370
+C1COCCC1S(=O)(=O)C(C)(C)C(=O)Nc2onc(C(C)(C)CNC(=O)C)c2	6848
+C1COCCC1S(=O)(=O)C(C)(C)C(=O)Nc2onc(C(C)(C)CN(Cc3ccc(cc3)OC)C(C)=O)c2	58
+C1COCCC1S(=O)(=O)C(C)(C)C(=O)Nc2onc(c2)C(C)(C)CNCc3ccc(cc3)OC	110
+C1COCCC1S(=O)(=O)C(C)(C)C(Nc2onc(C(C)(C)C=O)c2)=O	24
+C1COCCC1Sc2cc3c(Nc4ccc(Cl)c(OC)c4)ccnc3cc2	179
+C1COCCC1S(c2cc3c(nccc3Nc4ccc(Cl)c(OC)c4)cc2)=O	2033
+C1COCCC1S(=O)(=O)c2c(OC)cc3c(c(ccn3)Nc4n[nH]c(c4C)C)c2	593
+C1CC(CCO1)c2c3sc(NC(=O)N4CCOCC4)nc3c(OC)cc2	2704
+C1COC2(O1)CCN(CC2)C(=O)Nc3nc4c(s3)c(C5CCOCC5)ccc4OC	2704
+C1COCCC1c2c3sc(NC(c4cc(ncc4)CCl)=O)nc3c(OC)cc2	900
+C1CC(CCC1)C(c2c(CC)sc(C3CCOCC3)c2)Nc4ccc(cc4)C(=O)OC	6849
+c1cc(ccc1)C(=O)NC(Nc2c(OC)ccc(c2)C3CCOCC3)=S	6850
+c1cc(ccc1)C(=O)NC(Nc2c(OC)ccc(c2)C3CCOCC3)=S	865
+C1COCCC1c2c3sc(N)nc3c(OC)cc2	2705
+c1cc(ccc1C2CCOCC2)O	606
+C1COCCC1c2ccc(cc2)N	0
+C1COCCC1c2nc3c(cc(Oc4cc(Cl)ncn4)cc3[nH]2)Cl	185
+C1COCCC1n2c(ccn2)-c3cc(Br)c(cc3N)C	106
+C1COCCN1Cc2c(F)cc(c(F)c2)Nc3nc(-c4cnc(C)n4C5CCOCC5)c(cn3)F	490
+C1CC(CCO1)n2c(Cl)c([N+]([O-])=O)cn2	2706
+C1COCCN1c2ccc(cc2)C(C(C)(C)N3CCOCC3)=O	34
+C1N(CC1c2nc3cc(Cl)ccc3[nH]2)c4nc(N5CCOCC5)ncc4Cl	117
+CC(C)[Si](C(C)C)(C(C)C)n1ccc(c1)CN2CCOCC2	1015
+FC(F)(F)c1ccc(cc1)-c2c(n3c(n2)ccc(-c4ccccc4)c3)CN5CCOCC5	2093
+FC(F)(F)c1ccnc(NC(Nc2ccc(cc2)-c3c(c(n4c3c(ncn4)N)CN5CCOCC5)CC)=O)c1	6851
+C1CN(CCO1)Cc2cnc3n2c(ccc3)SCCNS(=O)(=O)C	2093
+C1CN(CCO1)Cc2[nH]c3c4c2CC5N(C#N)CC(CC5c4ccc3)C(OC)=O	6852
+C1CN(CCO1)CCC(c2cc(ccc2)-c3cc(ncc3)NC(=O)c4ccccc4)=O	1493
+C1COCCN1Cc2c(nc3n2cc(cc3)Br)-c4ccc(cc4)Cl	2093
+c1ccccc1C(N2CCn3c(ccc3C2)CN4CCOCC4)=O	6853
+CC(C)(C(=O)OC)c1c([N+](=O)[O-])cc(cn1)N2CCOCC2	244
+CC(C)(C)C(Nc1cc(ccc1)C(c2ccc3ncc(N4CCOCC4)nc3c2)=O)=O	1322
+CC(C)(C)NC(c1c(-c2ccccc2C)cc(nc1)N3CCOCC3)=O	43
+CC(C)(C)OC(N1CC(C(=O)N2CCOCC2)N(C(OCc3ccccc3)=O)CC1)=O	10
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2c3c(c(c[nH]3)CN4CCOCC4)ccc2	565
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(C(N3CCOCC3)=O)cc(Cl)cc2	30
+CC(C)(C)OC(=O)NC1CC(C(=O)N2CCOCC2)C1(C)C	10
+CC(C)(C)OC(=O)NC1CC(CN2CCOCC2)CC1	236
+CC(C)(C)OC(NCc1cc([N+]([O-])=O)cc(C)c1N2CCOCC2)=O	79
+CC(C)(C)OC(=O)Nc1sc(c(-c2ccco2)n1)CN3CCOCC3	2075
+CC(C)(C)OC(=O)c1sc2nc(C)c(c(C)c2c1N)OCCN3CCOCC3	53
+CC(C)(C)OC(C(C)(C)Sc1nc(CCOc2ccc(-c3ccc(cc3)F)cc2C(N4CCOCC4)=O)cs1)=O	30
+CC(C)(C)OC(N(Cc1cn(c(-c2ccccc2)c1)S(=O)(=O)c3cccc(C(=O)N4CCOCC4)c3)C)=O	30
+CC(C)(C)OC(=O)N1CC(NC(OCc2ccccc2)=O)CC(C(N3CCOCC3)=O)C1	10
+CC(C)(C)OC(N1CCCC(C1)Nc2cc(OC)nc(N3CCOCC3)n2)=O	3956
+CC(C)(C)OC(N1C(c2c(N3CCOCC3)nc4cc(ccc4c2)F)CCC1)=O	286
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)Nc3nc(nc(C)c3C(=O)OCC)N4CCOCC4)=O	117
+CC(C)(C)OC(=O)Nc1c(Br)c(OC)c(c(OC)c1)CN2CCOCC2	131
+CC(C)(C)OC(=O)Nc1ccc(cn1)CN2CCOCC2	6854
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(=O)N2CCOCC2)n1	10
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2nc(nc(Cl)c2Oc3ccccc3OC)N4CCOCC4	117
+CC(C)(C)c1nn(-c2ccc(cc2)C)c(NC(=O)NCc3cc(F)ccc3Oc4nc(ncc4)N5CCOCC5)c1	117
+C1CN(CCO1)C=2SC(C(=O)N=2)=Cc3cccc(-c4ccc(c(C(C)(C)CC)c4)O)c3	3602
+c1cc(ccc1CN2CCOCC2)C#Cc3ccc(cc3)NC(=O)C(C(=O)OC)C(C)C	48
+C1COCCN1Cc2nnc(-c3cnc(cc3NC(C)C)Cl)o2	960
+CC(C)OCCCn1c(nc2cnc3c(ccc(N4CCOCC4)c3)c12)COCC	1578
+CC(C)c1nc(nc(c1)N2CCOCC2)-c3ccc(cc3)Cl	54
+C1CN(CCO1)C(=O)c2ccc(-c3cnc(c(-c4nnn(c4)C(C)C)c3)N)cc2C	30
+c1cc(ccc1-c2cc(C(NCc3c(nc(C)cc3C)O)=O)c4cnn(C(C)C)c4n2)CN5CCOCC5	131
+CC1(C)C(C)(C)OB(O1)c2cncc(CN3CCOCC3)c2	565
+C1COCCN1C(C)(C)C(=O)c2ccc(cc2)Cl	1860
+CC1(C)CC2(OCCO2)CC(C)(C)N1c3nc(nc(n3)N4CCOCC4)Cl	436
+C1COCCN1c2nc3oc4c(ncnc4NCc5cnccc5)c3c6CC(C)(C)CCc26	6855
+C1COCCN1C(C)(C)C(=O)c2ccc(cc2)F	1860
+C1(CN(CC(C)O1)c2nc(nc(N3CCOCC3)c2)-n4c(nc5c(OC)cccc45)C(F)F)C	6856
+C1COCCN1Cc2nc(c3N(C=C(C(=O)c3c2)C(OCC)=O)C)Cl	6857
+C1COCCN1CCOc2cc(c(Cl)cc2Cl)-c3nc(N)nc4c3cc(C(NCC)=O)s4	6858
+C1CN(CCO1)Cc2cc(ccc2)-c3cncc4cc(C(OCC)OCC)oc34	48
+C1COCCN1c2cc(c(NC(=O)C)c([N+](=O)[O-])c2)OC	79
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2c(nc(CN3CCOCC3)c1)c(-c4cc5ccccc5nc4)cn2	315
+C1COCCN1C(c2ccc(OCc3c(noc3C)-c4ccncn4)nc2)=O	211
+C1COCCN1c2c(c(nc(Cl)n2)C)[N+](=O)[O-]	54
+C1CN(CCO1)c2c(cc(C(OC)=O)cc2)C	79
+Cc1cc(cc(C)c1OCCCN2CCOCC2)-c3nc4c(o3)nc(Cc5ccc(cc5)Cl)nc4OCCC	28
+c1cc(ccc1OC2CC(C2)N3CCCCC3)-c4sc5CN(CCc5n4)C(=O)N6CCOCC6	6859
+c1cc(ccc1OCCCN2CCCC2C)-c3sc4CN(CCc4n3)C(=O)N5CCOCC5	6860
+C1CN(CCO1)c2cc(CCl)nc(n2)-c3ccccn3	54
+C1COCCN1Cc2cc(c(s2)Cl)Br	509
+C1CN(CCO1)C(=O)c2cc(c(cc2C)[N+]([O-])=O)Cl	30
+C1COCCN1C(CCCOc2cc3ncnc(c3cc2OC)Nc4c(F)cc(Cl)cc4)=O	10
+C1CN(CCO1)C(=O)c2c3n(ccc3c(nc2)Nc4cccc(Cl)c4)CC	1369
+C1COCCN1C(=O)c2cnc(c3ncn(c23)C)Nc4cccc(c4)Cl	1369
+C1COCCN1c2ccnc(Nc3sc(-c4cc(Br)cnc4)cn3)c2	264
+C1COCCN1c2ccc(c([N+](=O)[O-])c2)C#N	202
+C1CN(CCO1)c2cccc(N)n2	43
+C1CN(CCO1)c2nc(nc3c2nc(COC(C)=O)cc3)Cl	3940
+C1CN(CCO1)c2c3c(n(cn3)CC)nc(Cl)n2	1310
+C1CN(CCO1)c2cc(ccn2)[N+](=O)[O-]	43
+FC(F)(F)Oc1ccc([N+](=O)[O-])cc1NC(CN2CCOCC2)=O	224
+FC(F)(F)Oc1ccc(cc1NC(CN2CCOCC2)=O)C(=O)Nc3ccc(-c4ccccc4F)nc3	224
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2c(N3CCOCC3)cc(c([N+]([O-])=O)c2)NCC(C)(C)O	202
+FC(F)(F)Oc1ccc(cc1)Nc2nc(Cl)nc(N3CCOCC3)n2	436
+C1CN(CCO1)CCn2nc(C)c(c2C)CC(=O)NCc3c(cc(F)cc3)Cl	1645
+FC(F)(F)c1c(ccc(N2CCOCC2)c1)C=O	34
+FC(F)(F)c1c(CN2CCOCC2)ccc(NC(=O)c3ccc(C)c(Br)c3)c1	48
+FC(F)(F)c1c(ccc(C#N)c1)Oc2ccc(C=C3SC(N4CCOCC4)=NC3=O)cc2OC	6861
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)Nc2c(nccn2)C(=O)N3CCOCC3)Cl	777
+FC(F)(F)c1c(ccc(N2CCOCC2)c1)[N+]([O-])=O	34
+FC(F)(F)c1cc(cnc1N2CCOCC2)Br	43
+FC(F)(F)c1cc2ncc(c(OCCCCCOC=3C(=O)C=C(CN4CCOCC4)OC=3)c2cc1)C(=O)OCC	2662
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(cc3)OCC(N4CCOCC4)=O)C	10
+FC(F)(F)c1cccc(c1C)Cc2c3n(nc2C)c(N)cc(N4CCOCC4)n3	790
+FC(F)(F)c1cccc2c1nccc2OCCCCCOC=3C(=O)C=C(CN4CCOCC4)OC=3	2662
+FC(F)(F)c1cnc(cc1)Nc2nccc(C(=O)Nc3cncc(c3)N4CCOCC4)c2	244
+C1CN(CCO1)C(CC(c2cc(c(cc2)OC(F)F)OCC)N3C(c4c(C3)cccc4NC(=O)C)=O)=O	10
+FC(F)c1nc2ccccc2n1-c3cc(N4CCOCC4)nc(SC)n3	54
+C1COCCN1c2ccc(c([N+](=O)[O-])c2)C#N	6862
+C1CN(CCO1)c2ncc(c(c2)N)Br	43
+C1CN(CCO1)C(c2cc(c(cc2F)N)OC)=O	30
+C1CN(CCO1)CCCc2cc(c3n2ncnc3N)Br	28
+C1CN(CCO1)CCc2nnc(s2)N	53
+C1COCCN1CC(CCl)O	170
+C1COC2(O1)CCC(CC2)N3CCOCC3	85
+O1CCOC12CCN(CC2)c3ccc(cc3)CN4CCOCC4	48
+C1COCCN1C(=O)C(=O)OCC	3957
+C1COCCN1c2c(cc(cc2)[N+](=O)[O-])C=O	202
+C1CN(CCO1)Cc2ccc(O)cc2OC	48
+C1COCCN1Cc2cc(c(Nc3ccc(nc3)OC)nc2)-c4nc(SC)nc(n4)C	565
+C1COCCN1Cc2c(F)cc(Br)c(c2)F	48
+C1COCCN1CCCCc2ccc3ncn(-c4sc(C(=O)OCC)c(n4)-c5cccc(Cl)c5)c3c2	123
+C1CN(CCO1)CC2Oc3c(ccc(S(=O)(=O)C)c3)CC2	236
+C1CN(CCO1)c2cc(S(=O)(=O)CC)c(c(c2)C)C#N	202
+O=S(=O)(Cc1nc(nc(N2CCOCC2)c1)Cl)C	54
+C1COCCN1S(=O)(=O)c2cc(c(OCCC)cc2)-c3nc4c(c(O)n3)c(nn4CCC)C	92
+C1COCCN1S(=O)(=O)c2cc3c(cc2)CCN(CC3)C(C)=O	92
+C1CN(CCO1)C2CCN(CC2)S(=O)(=O)Nc3cc(OC)nc(n3)SCc4c(c(F)ccc4)F	85
+C1CN(CCO1)CCCN2c3c(C=4C=CC(=O)N(c5c(cccc5)C)N=4)c(-c6ccc(cc6)F)nn3CC2	123
+C1COCCN1CCc2sc3c(c2)c(N)nc(-c4cccc(C#N)c4)n3	123
+C1COCCN1S(=O)(=O)c2cc(ccc2OC)F	92
+O=S(=O)(c1cc(ccc1)Cl)Nc2cc(nc3sc(C#CCN4CCOCC4)c(c23)-c5cc(ccc5)OC)C	6863
+C1CN(CCO1)S(=O)(=O)c2cccc([N+](=O)[O-])c2	92
+C1COCCN1c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-]	34
+c1cc(ccc1Br)S(=O)(=O)N2CCOCC2	92
+C1CN(CCO1)Cc2cccc(S(=O)(=O)c3ccc(nc3)C=Cc4ccc(cc4F)F)c2	48
+C1CN(CCO1)S(=O)(=O)c2cc(C(O)=O)ccc2	92
+C1COCCN1CCC(O)C	53
+C1COCCN1C(=O)C[N+]#[C-]	2642
+C1COCCN1c2c(cc([N+](=O)[O-])cn2)-n3cccn3	43
+C1COCCN1c2cc(F)c([N+]([O-])=O)cc2F	34
+C1COCCN1c2ncnc3[nH]cc(c23)-c4cccc(c4)C#N	778
+C1CN(CCO1)c2nc(Cl)nc3[nH]ccc23	778
+C1CN(CCO1)c2c(c(nc(n2)-c3cccc(O)c3)NC4COCC4)C	54
+C1CN(CCO1)c2ccc([N+](=O)[O-])cc2C	34
+C1COCCN1c2nc(N3CCC(F)C3)c(c(C)c2)[N+]([O-])=O	43
+C1COCCN1c2c(Br)cc(c(C)n2)[N+](=O)[O-]	43
+C1CN(CCO1)C(=O)c2c3c(c(Cl)nc2)ccn3C	1369
+C1CN(CCO1)c2c([N+](=O)[O-])cc(Cl)cn2	361
+C1CN(CCO1)c2c(Cl)nnc(Cl)c2	2558
+C1COCCN1c2cc(Cl)nc(-c3cccc(OC)c3)n2	54
+C1COCCN1c2nc(Cl)nc(N(C)c3ccccc3)n2	436
+C1CN(CCO1)c2nccnc2N	317
+C1COCCN1c2c3c(cc(Br)c(c3)F)nc(Cl)n2	54
+C1CN(CCO1)c2cc(F)c(c(F)c2)[N+](=O)[O-]	34
+C1COCCN1c2c(F)cc3c(c2)ncnc3O	2074
+C1COCCN1c2c(C)cc(C)c(N)c2C	79
+C1COCCN1CC(=O)c2ccc(OCCC)c(c2)-c3nc(c4n(C)nc(c4n3)CCC)O	676
+C1COCCN1c2c(cc(cc2)[N+]([O-])=O)Br	34
+C1COCCN1CC(Nc2cc([N+](=O)[O-])ccc2Br)=O	224
+C1COCCN1c2ccc([N+](=O)[O-])cc2O	79
+C1CN(CCO1)c2nc(SCC)c(c(c2)C)C(O)=O	43
+C1COCCN1C(c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2)=O	30
+C1COCCN1C(c2cc(OC)c(cc2C)[N+](=O)[O-])=O	30
+C1CN(CCO1)C(C=Cc2ccc(OCCC)c(-c3nc(c4c(n3)n(nc4C)CCC)O)c2)=O	404
+C1COCCN1c2cc3c(c(c2)[N+]([O-])=O)nc(C)n3Cc4cccc5ccccc45	1578
+C1COCCN1c2c3CCN(c4ncnc5cc(c(OC)cc45)OC)c3ccc2	79
+C1COCCN1c2ccc3c(O)nnnc3c2	2074
+C1COCCN1C(c2ccc(c(F)c2)Br)=O	30
+C1CN(CCO1)c2c(cc(cc2)C=O)[N+](=O)[O-]	34
+C1CN(CCO1)CCCCOCc2cc(Br)ccc2F	28
+C1CN(CCO1)c2ccc(c(C(NC)=O)c2)[N+]([O-])=O	34
+C1COCCN1c2cc(O)c([N+]([O-])=O)cc2	34
+c1cnccc1-c2nc3c(cc(nn3c2)Cl)N4CCOCC4	6864
+C1COCCN1c2nc(Cl)nc3CCCc23	54
+C1COCCN1c2cc(Cl)nc3c2cc(OC)cc3	264
+C1COCCN1c2cnc3cc(F)c(CC(OC)=O)c(F)c3c2	244
+c12c(cccc1)CN(C2)C(=O)Nc3ccc(cc3)-c4noc(n4)CN5CCOCC5	960
+C1COCCN1c2c3c4ccncc4[nH]c3ncn2	778
+C1COCCN1c2c3ccc4c(c3nc(Cl)n2)ccn4C	54
+C1COCCN1c2cc3c(C(CC3)=O)cc2OC	79
+C1CN(CCO1)c2nc(nc3c(cc(Br)cc23)OC)Cl	54
+C1COCCN1c2ccc3c(ccc([N+](=O)[O-])c3)n2	286
+C1COCCN1c2nc(nc3c2scc3)Cl	2094
+C1CN(CCO1)c2cc(C=C)ccc2F	79
+C1CN(CCO1)c2cc(cc(Cl)n2)Cl	43
+C1COCCN1c2nc(Cl)cc(N)c2	43
+C1CN(CCO1)C(=O)Cc2cc(ccc2[N+](=O)[O-])C	10
+C1CN(CCO1)c2nc(nc3cc(Br)ccc23)Cl	54
+C1CN(CCO1)CCCN2C(=O)CCN(CC2)C(C=Cc3ccc(c(c3)Cl)Cl)=O	183
+C1COCCN1Cc2cc3c(cc2)n(c(CN(C(=O)c4c(ccc(F)c4)F)CCC)n3)CCC	171
+C1CN(CCO1)c2c(ncc(Br)n2)N	2089
+C1COCCN1c2nc(nc(C(=O)OC)c2)Cl	54
+C1COCCN1CCOc2cc3ccc[n+](c3cc2)[O-]	28
+C1CN(CCO1)C(=O)Cc2cn(CC)c3c2c(O)cc(F)c3	10
+C1CN(CCO1)CCCOc2cc(C)ccc2OC	28
+C1COCCN1C(=O)Nc2nccc(c2)Oc3c(F)cc([N+]([O-])=O)cc3	3856
+C1COCCN1c2cc(ncc2)-c3nn(c(-c4ncoc4)n3)Cc5c(cccc5)F	1465
+c1ccccc1-c2c(ccc(CC3=C(C)C(=O)C(=C(OC)C3=O)OC)c2)C(N4CCOCC4)=O	30
+C1CN(CCO1)Cc2c(nc3ccccc3c2C(=O)NN(c4ccccc4)C(OC)=O)-c5ccccc5	619
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(N5CCOCC5)c6c(nc(cc46)Cl)C	6865
+c1ccccc1COC(=O)N2Cc3ccccc3CC2C(=O)N4CCOCC4	10
+c1cc(ccc1)COC(=O)N2CCc3nc4ccnn4c(N5CCOCC5)c3CC2	1575
+c1cc(ccc1)COc2c(CC=3C(=O)C(OC)=C(OC)C(=O)C=3C)cccc2C(N4CCOCC4)=O	30
+c1cc(ccc1)Oc2cc(ncc2C(=O)OCC)N3CCOCC3	43
+C1CN(CCO1)C(=O)c2ccc(cc2)-c3[nH]c4ncc(c(c4n3)I)Cl	30
+C1CN(CCO1)C(=O)c2[nH]cc(C)c2-c3ccc(cc3)Cl	147
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCCl	115
+c1cc(ccc1[N+](=O)[O-])-c2ncc(OC)c(N3CCOCC3)n2	54
+c1cc(ccc1N2CCOCC2)C#N	34
+C1COCCN1c2c(nc(s2)C)-c3ccc(cc3)OCCCCCOc4ccc(cc4)C#N	3934
+C1COCCN1CC(c2ccc(cc2)-c3ccccc3)=O	676
+C1CN(CCO1)Cc2ccc(cc2)C(=O)Nc3ccc(cc3)OC(=O)N(C)c4ccccc4	171
+C1COCCN1C(c2ccc(cc2)[N+]([O-])=O)C	2030
+c1cc(ccc1C(=O)N2CCOCC2)-c3nn4c(cc3)ncc4C#C	30
+C1CN(CCO1)Cc2ccc(cc2)-c3cc(ccn3)-c4n5c(nc4-c6nc(C)ccc6)ccc(c5)Cl	48
+C1CN(CCO1)c2cc(c(c(OC)c2)C(NCc3ccc(cc3)Cl)=O)F	79
+c1cc(ccc1S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3)C#CCN4CCOCC4	3958
+C1COCCN1c2cc3c(nc2NCc4ccc(cc4)OC)ccc(Br)c3	2064
+C1COCCN1Cc2ccc(cc2)CCC#Cc3ncc(Br)cc3	889
+c1cc(ccc1COc2c(cc(CN3CCOCC3)cc2)C(=O)Nc4cccnc4)F	48
+c1cc(ccc1C(OC)=O)Cc2ccc(cc2)CN3CCOCC3	889
+C1CN(CCO1)c2cc3c(C(=O)N(C)CC3c4ccc(cc4)Cl)s2	1801
+C1COCCN1Cc2cc(I)c3c(c2)C(=O)C(C(=O)NCc4ccc(cc4)Cl)=CN3C	171
+c1cc(ccc1F)-c2nc3c(ccc(N4CCOCC4)n3)n2-c5nc(ncc5)NC6CCCC6	43
+C1CN(CCO1)CCCNc2cc(ccc2)C(=O)c3c(N)n(-c4ccc(cc4)F)nc3	53
+c1cc(ccc1F)NC(=O)Nc2ccc(cc2)Oc3ncnc4[nH]c(cc34)CN5CCOCC5	315
+C1COCCN1CC(COc2cc3nccc(Oc4cc(c(cc4)NC(=O)Nc5ccc(cc5)F)F)c3cc2C#N)O	170
+C1CN(CCO1)C(=O)c2ccc(cc2)Nc3c4n(ccn4)cc(Br)n3	30
+c1cc(ccc1Nc2nc(N3CCOCC3)nc4CCCc24)C5(CCC5)C(OC)=O	117
+c1cc(ccc1Nc2sc(C(=O)c3cc([N+](=O)[O-])c(cc3)N4CCOCC4)c(N)n2)N5CCN(CC5)C	202
+C1CN(CCO1)C(=O)OCc2cnc(C)cc2	1011
+c1cc(ccc1OC)-c2ccc(CC3=C(C)C(C(=C(C3=O)OC)OC)=O)cc2C(N4CCOCC4)=O	30
+c1cc(ccc1OC)-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3nc2-c5ccc(cc5)OC	2691
+C1COCCN1CCc2nc(C(C)Nc3ncnc4c3ncn4Cc5ccc(cc5)OC)cc6cccc(Cl)c26	6866
+C1COCCN1CC(COc2ccc(cc2)C=3C(c4c(OC=3)cc(OC)cc4)=O)O	170
+c1cc(ccc1OCCCCl)-c2nc(C(N3CCOCC3)=O)co2	6867
+C1CN(CCO1)C(CO)c2cc(NS(=O)(=O)c3ccc(cc3)-c4ccc(F)cc4F)ccc2	3959
+c1cc(ccc1S(=O)(=O)Nc2ccsc2C(OC)=O)N3CCOCC3	79
+c1cc(ccc1S(=O)(=O)n2c(cc3c2nccc3)-c4c5c(n(c4)CCN6CCOCC6)cc(c(OC)n5)OC)C	183
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCN6CCOCC6)c(cc45)OC)C)C	183
+c1cc(ccc1S(=O)(=O)n2ncc3c(cc(cc23)Br)-c4nnc(CN5CCOCC5)o4)C	960
+c1cnccc1-c2cc(nnc2-c3cc4c(cccc4)cc3)N5CCOCC5	6868
+C1COCCN1C(=O)c2ccc(nc2)Cl	1558
+C1CN(CCO1)c2nnc(O)c3ccccc23	212
+C1CN(CCO1)c2ccc3c(c(O)ccc3)n2	286
+C1CN(CCO1)CCCCCCCCc2c3C(NC(c3ccc2)=O)=O	28
+C1CN(CCO1)c2ccccc2OC	560
+C1CN(CCO1)C(COc2cc([N+]([O-])=O)ccc2)=O	10
+c1cc(ccc1)-c2[nH]c3c([N+]([O-])=O)cc(cc3c2CN4CCOCC4)Cl	565
+C1COCCN1c2n3nc(cc3nc(Cl)c2)-c4ccccc4	1575
+c1ccccc1C(CN2CCOCC2)C(=O)OCC	6869
+c1cc(ccc1)C2(c3ccccc3)C(CCN4CCOCC4)CN(C2=O)CC	53
+c1ccccc1COC(NC2c3cc(ccc3N(C(C4CC4)C2C)C(=O)C)N5CCOCC5)=O	79
+C1COCCN1c2ccc(cn2)-c3cn(c4c3ccc(F)c4)S(=O)(=O)c5ccccc5	43
+C1CN(CCO1)CCCn2ccc3c(cccc23)[N+](=O)[O-]	28
+C1COCCN1C(=O)c2cnc(c3c2n(cn3)C)Cl	1369
+C1COCCN1C(=O)CN2N=Nc3c(C(=O)N)ncn3C2=O	10
+C1COCCN1c2cnc(nc2)NC3CC(CC)N(C(=O)OCC)c4ccc(OC)nc34	3937
+C1COCCN1c2nc(nc(Nc3cn(CC#N)cn3)n2)NC(C)c4ncc(cn4)F	436
+C1CN(CCO1)CCCOc2cc3cc4ncc(c(Nc5c(cc(c(c5)OC)Cl)Cl)c4cc3cc2OC)C#N	53
+C1COCCN1C(c2cn[nH]c2)=O	1020
+C1CN(CCO1)C(=O)c2c3c(cc(-c4cccnc4-c5cc(C)c(cc5)F)c2)c[nH]n3	211
+CN(C)c1nc(nc(N2CCOCC2)n1)Cl	436
+C1CN(CCO1)CCCCn2cnc3nc(NCc4ccc(c(Cl)c4)Cl)nc(O)c23	28
+C1CN(CCO1)c2c(F)c(nc(Cl)n2)Nc3[nH]nc(c3)C	54
+C1CN(CCO1)c2cncc(N)c2	244
+C1CN(CCO1)Cc2ccn(-c3c(C(=O)OCC)cccn3)n2	315
+C1COCCN1Cc2cc3c(C(Br)=CN(C)C3=O)o2	2693
+CC(C)(C)c1cc(ccc1O)CC(N(C(C(C(C)C)N(C)C(OCc2ccccc2)=O)=O)C)C(N)=O	6870
+CC(C)(C)c1nc(ncc1C(=O)OCC)N2CCOCC2	6871
+C1CN(CCO1)C(C(NN)=O)=O	6872
+C1COCCN1C(=O)COC2CCN(CC2)C(=O)c3c(ccc(c3)Cc4c5c(c(O)nn4)cccc5)F	1997
+C1CN(CCO1)C(=O)C2N=COC2c3cccnc3	6873
+C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O	9
+C1COCCN1C(=O)NC2(CCCCC2)C(=O)O	210
+C1COCCN1C(=O)Nc2nccc(c2)Oc3ccc(N)cc3F	0
+C1COCCN1C(=O)Nc2nccc(c2)Oc3c(cc(NC(=S)NC(=O)Cc4ccccc4)cc3)F	2095
+C1CN(CCO1)C(c2c(c3cc(O)c(c([N+](=O)[O-])c3s2)O)CBr)=O	6874
+C1COCCN1C(=O)c2cc(Cl)ccc2CN3CCN(CC3)C(=O)ON4C(CCC4=O)=O	613
+C[Si](C)(C)CCOCn1nc(-c2ccccc2OC)c3c1ncc(-c4ccc(O)c(C(N5CCOCC5)=O)c4)c3	391
+C1COCCN1C(=O)c2cnc(NN)cc2	383
+CC1(C)OB(OC1(C)C)C=2C=C(Nc3ccc(C(=O)N4CCOCC4)cn3)C(=O)N(C)C=2	1371
+C1COCCN1C(c2n3c(c(c2C)C(=O)O)cccn3)=O	6
+C1COCCN1C(C)(C)C(=O)c2ccc(cc2)S	3960
+C1COCCN1C(C)(C)C(=O)c2ccc(cc2)SCCS	411
+C1CN(CCO1)C(C)C(O)=O	210
+c1ccccc1-c2ccc(cc2)NC(c3ccc(OC)c(c3)NC(C(CC)N4CCOCC4)=O)=O	33
+CC(C)(C)OC(=O)N1CCC(CC1)OCC(N2CCOCC2)=O	467
+c1ccccc1COc2ccc(cc2)OCC(CNCCNC(N3CCOCC3)=O)O	122
+FC(F)(F)c1cnc(Nc2c(OC)cc(C(=O)N3CCOCC3)c(C)c2)nc1NC	55
+C1COCCN1C(c2c(cc(N)c(c2)OC)C)=O	0
+C1CN(CCO1)Cc2cc([N+](=O)[O-])c(cc2)[N+](=O)[O-]	162
+C1CN(CCO1)Cc2cc(c(Br)cc2)F	162
+C1COCCN1C(c2cnc(cc2)Nc3cc(cc4cccnc34)Cl)=O	6875
+C1CN(CCO1)C(=O)c2cnn(-c3ccc(OCCCN4CCCC4C)c(c3)F)c2	901
+c1cc(ccc1-n2cc(C(=O)N3CCOCC3)cn2)OCCCN4CCCC4C	568
+C1COCCN1C(=O)c2n3ncccc3c(C(NCc4c(cc(nc4O)C)C)=O)c2C	56
+CC(C)(C)OC(Nc1cc2c(cc1)Sc3c(C=4OC(=CC(C=4)=O)N5CCOCC5)cccc3S2)=O	6876
+c1(F)cc(cc(F)c1)N2CCCC2c3cc(cc4C(C=C(Oc34)N5CCOCC5)=O)C(OC)=O	79
+C1COCCN1C=2N=C(N(C(=O)C=2)C)CC(N3c4cccc(F)c4CC3C)=O	429
+C1COCCN1C=2OC(c3cccc4Sc5c(ccc(c5)O)Sc34)=CC(C=2)=O	477
+C1COCCN1CC#Cc2cc(cc(OCC(C)C)c2)Sc3c(cc(c(C)c3)OCC(=O)OCC)C	197
+FC(F)(F)c1cc(Oc2cc(cc(c2)Sc3cc(C)c(cc3)OCC(OCC)=O)C#CCN4CCOCC4)ccc1	197
+FC(F)(F)c1ccc(Oc2cc(Sc3ccc(OCC(=O)OCC)c(C)c3)cc(C#CCN4CCOCC4)c2)nc1	197
+C1COCCN1CC#Cc2n(C)c(c(-c3ccncc3)c2-c4ccc(cc4)F)C(=O)OC	6877
+C1COCCN1CC#Cc2cc(cc(OCC(C)C)c2)Sc3cc(C)c(cc3C)OCC(O)=O	3
+c1cc(ccc1C(Nc2ccc(c(c2)NC(=O)CN3CCOCC3)Br)=O)-c4ccccc4	67
+C1CN(CCO1)CC(C)(C)NC(=O)Cn2nc(-c3cn(nn3)Cc4ccc(cc4)OC)cc2Cc5ccc(cc5)F	9
+C1COCCN1CC(O)CN	2707
+C1COCCN1CC(O)CN2C(=O)c3c(CC2)[nH]c(C=O)c3C	413
+c1ccccc1C(CCl)CN2CCOCC2	221
+C1COCCN1CC(=O)Nc2c(Br)ccc(N)c2	0
+C1COCCN1CC(=O)Nc2cc(ccc2SC)C(Nc3ccc(-c4ccccc4F)nc3)=O	33
+c1cc(ccc1CC(NC(C(NC(=O)CN2CCOCC2)CC#N)=O)C(=O)NC(CC=3CCCC=3)C(=O)C4(CO4)C)OC	207
+C1CN(CCO1)CC(CN2CCc3c(c(C)c([nH]3)C=C4c5c(cccc5NC4=O)-c6c(c(ccc6)F)F)C2=O)O	292
+c1cc(ccc1-c2ccccc2)C(CN3CCOCC3)NC	1607
+C1CN(CCO1)CC2COc3cccc4c(C(c5ccc(cc5)OC)=O)c(n2c34)CC	6878
+C1COCCN1CC2COc3c(cccc3)N2N	1651
+C1COCCN1CC2COc3c(cccc3)N2N=O	2708
+C1COCCN1CC2Cc3ccccc3CN2	62
+C1COCCN1CCC(c2ccccc2N)=O	0
+c1cc(ccc1[N+]([O-])=O)OC(C)CCN2CCOCC2	57
+C1COCCN1CCCCc2ccc3ncn(-c4sc(c(-c5cc(ccc5)Cl)n4)C(N)=O)c3c2	1169
+C1COCCN1CCCCc2ccc3ncn(-c4nc(c(C(=O)O)s4)-c5cc(ccc5)Cl)c3c2	6
+C1COCCN1CCCN2C=3c4cc5OCOc5cc4C(C=3c6c(cc(c(OCCCN)c6)OC)C2=O)=O	18
+C1COCCN1CCCN2C=3c4cc5OCOc5cc4C(C=3c6c(cc(OC)c(OCCCN=[N+]=[N-])c6)C2=O)=O	310
+C1COCCN1CCCc2cccc(CCl)n2	3961
+C1CN(CCO1)CCNC(=O)c2cc(C)c([nH]2)C=C3c4c(ncnc4N(C)C3=O)Nc5ccc(F)c(c5)Cl	2709
+CC(C)(C)[Si](C)(C)OCCCN1C(N(C)c2nc(n(Cc3ccc(cc3)Cl)c2C1=O)OCCN4CCOCC4)=O	6879
+C1CN(CCO1)CCOC(N2CC(OCCF)C(n3c4c(nc(-c5ccc(C(C)C)nc5OC)c(C)c4)c(C)c3)C2)=O	1468
+C1CN(CCO1)CCOc2cc(ncc2)Cl	1895
+C1CN(CCO1)CCOc2cc(cc(-c3cc(nc(n3)-n4c(cc(n4)C)C)NC(C)=O)c2)F	126
+C1CN(CCO1)CCOc2ccc([N+]([O-])=O)cc2-c3n(C)ncc3	126
+C1CN(CCO1)CCOc2cc3c(ncc(c3Cl)C#N)cc2F	126
+C1CN(CCO1)CCOc2c(cc(cc2C)C=O)C	126
+c1cc(ccc1Br)OCCN2CCOCC2	20
+c1(nc(nc(C)c1C(=O)NC(CNC(c2cccs2)=O)C(OCCN3CCOCC3)=O)NCCCc4cc(O)ccc4)C	456
+C1COCCN1CCOc2cccc(c2)-c3sc4c(nccc4Oc5ccc([N+]([O-])=O)cc5F)c3	20
+CC(C)(C)OC(CCOCCOCCOCCN1CCOCC1)=O	1615
+C1COCCN1CCn2c(c(C(c3c4ccccc4c(C)cc3)=O)c5c2nccc5)C	3962
+c1cc(ccc1Cl)-c2nc3n(c2CN4CCOCC4)cc(cc3)-c5ccccc5F	89
+C1COCCN1Cc2sc(Cl)c(C(=O)CC(=O)OC)c2	3963
+C1COCCN1Cc2cc(c(Nc3ccc(nc3)OC)nc2)-c4nc(nc(N)n4)C	6880
+C1CC(CCO1)COc2nccc(C3=CN(C(=O)c4cc(oc34)CN5CCOCC5)C)c2	2710
+C1COCCN1Cc2ccc(cc2)CCC#Cc3ccc(-c4ccc(cc4)Cl)cn3	2056
+C1CN(CCO1)Cc2cc3c(cn2)N(C=C(C(OCC)=O)C3=O)C	1372
+CC(C)(C)c1ccc(cc1)Nc2c3c(nc(n2)CN4CCOCC4)CN(CC3)Cc5ccccc5	73
+CC(C)Nc1cc(ncc1-c2nnc(CN3CCOCC3)o2)Nc4ccc(cc4)C#N	201
+C1CN(CCO1)NC(c2ccc(OCc3c(onc3-c4ccc(cn4)F)C)cn2)=O	2096
+C1COCCN1NC(=O)c2cc(n(Cc3cc(Cl)cc4cc(oc34)-c5ccc(cc5)Cl)n2)C	2096
+C1CN(CCO1)NC(=O)c2cc(ccn2)Oc3cc(ccc3)NC(Nc4cc5c(cc4)n(nc5)C)=O	2096
+O=S(=O)(Nc1cc(cnc1Cl)Nc2ncccc2-c3nc(C)nc(N)n3)N4CCOCC4	2097
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1S(=O)(=O)N2CCOCC2)F	166
+C1COCCN1S(=O)(=O)c2cc(F)ccc2O	5
+CN(C)C=NC(=O)c1sc(c(C#N)c1-c2ccc(cc2Cl)Cl)N3CCOCC3	2098
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2c(C(Nc3c(C)c(N4CCOCC4)c(C)cc3C)=O)scc2	6881
+C1COCCN1c2c(C)cc(cc2)Nc3c4c(ccc(c4)-c5cccs5)ncn3	1373
+c1cc(ccc1)-n2c(ccn2)C=3C(C(OC)=CN(c4cc(F)c(N5CCOCC5)cc4F)N=3)=O	3964
+C1COCCN1c2cc(c(N3C=C(OC)C(C(=N3)C(O)=O)=O)cc2F)F	4
+C1COCCN1c2c(F)cc(N3N=C(C(=O)C(OC)=C3)C(=O)OC)c(c2)F	1181
+C1COCCN1c2cc3ncnc(Cl)c3cc2F	64
+C1CN(CCO1)c2cc(cc(c2F)C=O)CC	151
+CC(C)Oc1c(cc(cn1)-c2c(C)ncc(N)c2)N3CCOCC3	907
+FC(F)(F)c1cccc(C(=O)Nc2ccc(c(-c3cc(c(nc3)OCCOC4OCCCC4)N5CCOCC5)c2)C)c1	67
+C1CN(CCO1)c2sc(C(O)=O)c(-c3ccc(cc3Cl)Cl)c2C#N	6
+C1COCCN1c2sc(c(C(CC=O)c3cc(c(cc3)Cl)Cl)c2C#N)C(=O)OCC	465
+c1ccccc1COc2cc(-c3nc(c([N+](=O)[O-])c(C)n3)N4CCOCC4)ccc2	345
+C1COCCN1c2c(C)cc(Nc3ncnc4c3cc(cc4)I)cc2	73
+C1CN(CCO1)c2ncc(cc2-n3nccc3)N	13
+C1COCCN1c2c(O)cc(cc2)Nc3nc(c4cn[nH]c4n3)-c5cccc(NC(C=C)=O)c5	1002
+C1CN(CCO1)c2c(CNC)cc([N+](=O)[O-])cc2	42
+CC(C)(C)OC(Nc1cccc(C#Cc2cc(ccc2N3CCOCC3)[N+]([O-])=O)c1)=O	455
+C1COCCN1c2ncccc2CO	295
+O=S(=O)(C)c1cccc(-c2cc3c(cc2F)c(N4CCOCC4)nc(Cl)n3)c1	495
+C1CN(CCO1)c2nc(-c3ccc(N)nc3)nc4cc(sc24)CN5CCC(CC5)C(=O)NC	1323
+C1CN(CCC1)C2CCN(CC2)Cc3sc4c(c3)nc(-c5cnc(nc5)N)nc4N6CCOCC6	2685
+C1COCCN1c2c3sc(CN4CCN(CC4)C)cc3nc(-c5cccc6[nH]ccc56)n2	6882
+C1CN(CCO1)c2c3nc(CN4CC(C4)N5CC(NCC5)=O)sc3nc(n2)Cl	3965
+ClC(Cl)(Cl)COC(Nc1ncc(cc1)-c2nc(c3ccc(-c4cccc(c4)S(=O)(=O)C)cc3n2)N5CCOCC5)=O	278
+C1COCCN1c2nc(nc3c4c(ccc23)n(cc4)CCN(C)C)Cl	1277
+C1CN(CCO1)c2nc(nc3c4c(ccc23)n(cc4)C)-c5ccc(cc5)N	2099
+C1COCCN1c2ncc(n3cc(nc23)C=Cc4nc5ccccc5cc4)Br	3966
+C1COCCN1c2ncc(n3cc(nc23)C(NN)=O)Br	2100
+C1COCCN1c2ccnn3c2nc(CO)c3	874
+C1CN(CCO1)c2c3nc(cn3ncc2)C=Cc4nc5ccccc5cc4	3966
+C1COCCN1c2c3n(ccn2)cc(COc4ncc5c(cccc5)n4)n3	6883
+C1COCCN1c2cc(-c3c4c(ccc3)Sc5cc(NC(=O)CN(C)C)ccc5S4)nc(O)c2	224
+C1CN(CCO1)c2cc(N)c(N)c(C(=O)OC)c2	0
+C1COCCN1c2cc(C(OC)=O)c3nc([nH]c3c2)C	6884
+C1CN(CCO1)c2cc3n(c(nc3c(c2)C(OC)=O)C)Cc4cccc5c4cccc5	505
+C1COCCN1c2nc(c(N)c(Cl)c2)OC	13
+C1COCCN1c2nc(nc(c2)Cl)-c3cccc(c3)O	5
+FC(F)(F)Oc1ccc(cc1)CC(=O)N2CCC(Nc3nc4ccc(cc4c(c3)N5CCOCC5)OC)C2	554
+C1COCCN1c2cc(c(cc2F)N)F	0
+C1CN(CCO1)c2ncc(-c3cc(F)c(nc3)OC)c(Nc4c(C)c(-c5ccccn5)nc6cc(F)cc(F)c46)c2	2711
+C1COCCN1c2cc(nc(-c3ccccc3Oc4ccc(cc4C(O)=O)Br)c2)OCc5ccc(cc5)OC	1182
+C1COCCN1c2ccc(N)c(c2)[N+](=O)[O-]	106
+C1COCCN1c2c(F)cc(N3N=C(C(=O)C(=C3)OC)C(C)=O)c(F)c2	1183
+C1COCCN1c2cc(c(N3C=C(OC)C(C(=N3)C(=O)N(OC)C)=O)cc2F)F	2101
+C1COCCN1c2cc3nc([nH]c3c(c2)OC)C	2712
+C1COCCN1c2ccc([N+](=O)[O-])c(OCCC#N)c2	830
+C1CN(CCO1)c2cc(c(cn2)-c3cc(c(OC(F)F)cc3)F)Nc4c(C)c(-c5ccccn5)nc6cc(F)cc(F)c46	179
+C1COCCN1c2ncc(-c3cnc(cc3)N)c(c2)Nc4c(C)c(nc5cc(F)cc(c45)F)-c6ccccn6	1168
+O=S(=O)(Nc1c2c(cc(c1)N3CCOCC3)n(c(C)n2)Cc4c5c(ccc4)cccc5)C	1374
+C1CN(CCO1)c2cc(cc(N3CCOCC3)c2)Nc4nccc(N(C)c5cccc(Cl)n5)n4	55
+C1CN(CCO1)c2cccc(N3CC(=O)N(CC(O)CN4Cc5c(cccc5)CC4)CC3)c2	6885
+C1COCCN1c2cc(OCc3ccc(cc3)OC)nc(-c4ccccc4Oc5ccc(Br)cc5C=O)c2	46
+C1CN(CCO1)c2cc(CNCCOC)nc(n2)-c3cccc4[nH]ccc34	3967
+C1COCCN1c2c3n(ncc2)cc(C(OCC)=O)n3	1288
+FC(F)(F)c1c(C=C2Cc3c(cc(c(N4CCOCC4)c3)OC)C2=O)cc(Cl)cc1	1103
+FC(F)(F)c1c(c(Cn2c(nc3c2cc(N4CCOCC4)cc3C(OC)=O)C(F)F)ccc1)C	505
+C1COCCN1c2cc(c3nc(C)n(c3c2)Cc4c5c(ccc4)cccc5)N	13
+C1CN(CCO1)c2cc3n(Cc4cccc(C)c4F)c(C)nc3c(c2)C(=O)O	1
+C1CN(CCO1)c2cc(c3nc(C)n(Cc4cccc5c4cccc5)c3c2)C(=O)NS(=O)(=O)C	3968
+CC1(C)C(C)(C)OB(O1)c2ccc3nc(c(cc3c2)N4CCOCC4)NCc5ccc(cc5)OC	17
+C1CN(CCO1)c2c(cc(cc2)C=Cc3c4c(cccc4)[nH]n3)N	0
+C1CN(CCO1)c2ccc(c3nc(N)sc23)OC	2705
+C1COCCN1c2c3sc(-c4nc5c(n4C)cccc5)nc3c(cc2)OC	1652
+C1COCCN1c2c(cc(S(=O)(=O)NC)cc2)N	0
+C1CN(CCO1)c2ccc(N)cc2O	0
+C1CN(CCO1)c2cc(CO)c([N+](=O)[O-])cc2	41
+C1CN(CCO1)c2ccc(c(c2)NC(c3[nH]c4c(cccc4)n3)=S)OC	6886
+C1CN(CCO1)c2cc(N)c(C#N)cc2	0
+CC(C)(C)OC(=O)N1CC(CC(C1)O)CNc2c3c(nccn3)cc(-c4ccc(cc4)N5CCOCC5)n2	1165
+FC(F)(F)Oc1ccc(-c2ccc(cc2)N3CCOCC3)cc1C(=O)NC(Cc4c[nH]c5c4cccc5)CC#N	11
+c1cc(ccc1N2CCOCC2)-c3c(nc(C)s3)C4CCC(CC4C(=O)OC)F	2713
+c1cc(ccc1N2CCOCC2)-c3c(N)c(C(=O)OC)cc(n3)Br	119
+c1cc(ccc1-c2cccc3cc(sc23)C(=O)OC)N4CCOCC4	6887
+c1cc(ccc1-c2nc(N3CC4C(NCC4)C3)c5nccnc5c2)N6CCOCC6	1165
+C1COCCN1c2ccc(cc2)CNC(=O)Nc3cccc4cnccc34	282
+C1COCCN1c2cc([N+](=O)[O-])c(NC(C)=O)cc2	77
+C1COCCN1c2ccc3c(c2)c(c(cn3)C(OCC)=O)O	1861
+C1COCCN1c2ccc(cc2)Nc3nc(c4ccnc(c4n3)-c5cc(ccc5)[N+]([O-])=O)Cl	64
+C1COCCN1c2nc3ccc(c(c3cc2)Br)NC(OCc4ccccc4)=O	90
+C1CN(CCO1)c2cc3c(C(C)(C)CN3)cc2	621
+C1CN(CCO1)c2ccc3c(c(c(C(=O)OCC)cn3)Cl)c2	120
+C1COCCN1c2ccc3c(ccc(N)c3-c4c(cccc4)C)n2	890
+C1COCCN1c2nc3ccc(cc3cc2)N	0
+C1CN(CCO1)c2ccc3c(NC(=O)C4CCCC34)c2	6888
+C1CN(CCO1)c2ccnc(Nc3sc(cn3)-c4cncc(-c5cnn(c5)C)c4)c2	1029
+C1COCCN1c2c3n(ncc2)cc(C=O)n3	614
+C1CN(CCO1)c2cnc(c(c2)N)N3CCOCC3	13
+CC1(C)CN(c2c(C)c(-c3ccccc3)nc4c2cccn4)c5c1ncc(N6CCOCC6)c5	3969
+CC1(C)CN(c2c1ncc(N3CCOCC3)c2)c4c5cccnc5nc(c4C)-c6cc(F)cnc6	3969
+C1COCCN1c2cc3c(c(Cc4n5nc(Cl)ccc5nn4)c(cc3nc2)F)F	2102
+FC(F)(F)c1cccc(C(=O)Nc2cc(c(c(c2F)C(=O)c3cc4c(cc3)ncc(N5CCOCC5)n4)F)F)c1	50
+C1COCCN1c2cnc3c(cc(cc3)Sc4nnc5ccc(cn45)C(C)=O)c2	6889
+C1COCCN1c2cnc3c(cc(cc3)Sc4n5cc(ccc5nn4)C(C)=NO)c2	1375
+C1COCCN1c2cnc3c(c2)c(F)c(CC(=O)NN)c(F)c3	561
+C1COCCN1c2nc3c(ccc(C(c4cccc(NC(=O)Nc5cccc(F)c5)c4)=O)c3)nc2	124
+C1CN(CCO1)c2n3nc(-c4ccccc4)cc3nc(c2)NN	6890
+C1COCCN1c2cc(-c3cc(F)cc4c3cc[nH]4)nc(n2)-c5ccccc5	6891
+C1COCCN1c2scc(COc3ccc(C=O)cc3OC)n2	2088
+c1ccccc1CCS(=O)(=O)Nc2c(Oc3cccc(c3)OC)c(Cl)nc(n2)N4CCOCC4	570
+c1cc(ccc1)CNCc2nc(nc(N3CCOCC3)c2)Cl	294
+c1cc(ccc1)N(c2nc(N3CCOCC3)nc(-n4cncc4)n2)C	3970
+C1CN(CCO1)c2nc(nc3cc(NC(=O)C)sc23)Cl	2414
+C1N(CC1N(C)C(C)(C)C(=O)N)Cc2n(CC)c3c(c(N4CCOCC4)nc(Cl)n3)n2	566
+CN(C)C1CCN(CC1)Cc2n(CC)c3nc(Cl)nc(c3n2)N4CCOCC4	566
+c1cc(ccc1F)CNC(=O)c2c(cc(nc2N(C)CC)N3CCOCC3)C	1556
+C1CN(CCO1)c2nc(nc(c2)Cl)I	1653
+C1COCCN1c2cc(Cl)c([N+]([O-])=O)c(OC)n2	91
+C1COCCN1c2nc(Cl)nc(C=O)c2	2714
+C1CN(CCO1)c2nc(nc(Nc3ccccc3)c2)-c4cccc(O)c4	73
+C1CN(CCO1)c2cc(Oc3ccccc3)nc(-c4cc(ccc4)O)n2	185
+CC(C)(C)OC(Nc1cc(OC)c2nc(C(F)F)n(-c3nc(Cl)cc(N4CCOCC4)n3)c2c1)=O	1098
+C1COCCN1c2c3c(cc[nH]3)nc(-c4cc(ccc4)O)n2	16
+C1CN(CCO1)c2c3sc(C=O)cc3nc(Cl)n2	6892
+C1CN(CCO1)c2nc(nc3ccsc23)-c4ccc(C)c(N)c4	2099
+C1CN(CCO1)c2nc(-c3ccc(cc3)N)nc4c5c(n(cc5)CCN(C)C)ccc24	2099
+C1COCCN1c2nc(nc3n(c(CCN4CC(C4)(O)C)nc23)C)Cl	61
+C1COCCN1c2ccc3c(ccc(NC(=O)OCc4ccccc4)c3-c5ccccc5C)n2	495
+CC(C)(C)[Si](C)(C)Oc1cccc(c1)-c2c3ncn(C(C)CC)c3nc(N4CCOCC4)n2	154
+C1COCCN1c2cc(c3c(n2)n(c(n3)C)Cc4cccc5ccccc45)C(=O)O	1
+C1COCCN1c2ncc(-c3cnc(NS(=O)(=O)C)cc3)c(c2)Nc4c(C)c(nc5cc(F)cc(c45)F)-c6ccccn6	802
+CC(C)(C)OC(Nc1ncc(cc1)-c2n3c(nc(C=Cc4nc5ccccc5cc4)c3)c(nc2)N6CCOCC6)=O	6893
+C1COCCN1c2c3n(c(Br)cn2)cc(n3)C=O	614
+C1CN(CCO1)c2ncc(Br)n3cc(nc23)COc4ccc5c(cccc5)n4	1155
+C1CN(CCO1)c2ncccc2CCl	447
+C1COCCN1c2c3nc(CO)cn3ccn2	874
+C1COCCN1c2nn3cc(NC(c4c(cnn4C)C(N5CC(C5)F)=O)=O)ccc3n2	1020
+C1COCCN1c2nn3cc(ccc3n2)NC(=O)c4n(C)ncc4C(=O)O	6
+C1CN(CCO1)c2c(c(c(C(OCC)=O)s2)C(c3cc(c(Cl)cc3)Cl)CCO)C#N	237
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4csc(N5CCOCC5)n4)cc3)OC)n2	3931
+C1COCCN1c2scc(COc3c(OC)cc(cc3)CO)n2	41
+Cc1nc(ccc1[N+]([O-])=O)C=O	3971
+Cc1cccc(C)c1-c2nc(c(cc2)F)C=O	3971
+C1CS(=O)(=O)CCC1CCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc3c(n(C(C)C)c(C(=O)N4CCS(=O)(=O)CC4)c3)cc2	20
+C1CN(CCS1(=O)=O)CCN(CCN2CCS(CC2)(=O)=O)S(=O)(=O)c3c([N+](=O)[O-])cccc3	2715
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C4=NCC(S4)CC(=O)N5CCS(CC5)=O)[nH]3)c2)CC)cn1	10
+C1CS(CCN1C(=O)N2CC(c3ccc(cc3)OC(F)F)CC(C(O)=O)C2)=O	4
+C1CS(CCN1C(=O)N2CC(CC(C(OC)=O)C2)c3ccc(cc3)OC(F)F)=O	468
+c1cc(ccc1-c2cc(NC(c3sccc3)=O)ccc2C)C(Nc4ccc(cc4)CN5CCS(=O)(=O)CC5)=O	67
+FC(F)(F)C(=O)N=S1(CCN(CC1)c2ncc(cc2)C#N)=O	3972
+C1CSC2(S1)c3c(c(C)cc(C(O)=O)c3C)CCC2	595
+Cc1cc(cc(C)c1-c2cc(ccc2)C=O)OCC3(CCSCC3)O	626
+C1CC(CCS1)Nc2cc(cc(c2C)C(OC)=O)Br	231
+c1cc(C)n(c1C)-c2cc(F)c(c(F)c2)C3(CCSCC3)O	1589
+C1CC(CCS1)CCO	44
+C1CC(CCS1(=O)=O)N2c3c(N4C(C2=O)(COCC4)C)nc(nc3)Cl	991
+CC(C)(C)NC(c1sc2c(c1N)c(-c3cc(ccc3)NC(=O)N4CCSCC4)nc(n2)-c5ccccc5)=O	468
+C1CN(CCS1)C(c2c3n(ccc3c(Nc4cccc(Cl)c4)nc2)C)=O	1369
+FC(F)(F)Cc1ccc(cc1)C2CN(C(=O)N3CCSCC3)CC(C(OC)=O)C2	468
+FC(F)(F)c1c(F)cc(C2CC(C(OC)=O)CN(C2)C(=O)N3CCSCC3)cc1	468
+c1cc(ccc1)-c2nc(CCNC(=O)c3c(C(=O)N4CCSCC4)cnn3C)c(C)o2	1020
+c1cc(ccc1CC(F)F)C2CC(c3onc(n3)CCOC)CN(C(N4CCSCC4)=O)C2	468
+C1CSCCN1C(=O)N2CC(c3ccc(cc3)CC)CC(C(OC)=O)C2	468
+C1CSCCN1c2ncc(cc2)C#N	43
+c1cc(ccc1C2CN(C(N3CCSCC3)=O)CC(C2)C(O)=O)CC	4
+c1cc(ccc1NS(=O)(=O)C)C(NCCN2CCSCC2)=O	93
+C1CSCCN1c2ncc(cc2)CNC(c3ccc(cc3)-c4cc(F)ccc4)=O	14
+C1CSCCN1c2ncc(CN)cc2	388
+CC(C)(C)OC(=O)CN(CCN1c2c(cc([N+](=O)[O-])cc2)SCC1)C	303
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(nc23)-c4n5ccc(C(O)CO)cc5nn4)=O	3973
+c1ccccc1C2OC(CCC(C(CC(C(=O)N(C)C2C)CC(=O)NCc3ccc(cc3)Cl)O)O)=O	6894
+c1cc(ccc1OC)CN(c2nccs2)S(=O)(=O)c3cc4c(cc3)N(CCO4)c5ccccc5C(O)CO	3973
+c1nc(c2n1-c3c(c(C(C)C(CO)O)ccc3)OC2)C(=O)OCC	3755
+c1c(cc(c(I)c1)C=O)Br	1837
+c1c(cc(I)c(c1)C=O)Br	1837
+c1c2c(ccc(F)c2oc1)C=O	1837
+C=1(C(C(=O)OC)=C2N(CCC2)C(C=1F)=O)Cl	6895
+c1c2c(ccc1)c(F)c(nc2)O	3974
+C1CC(n2nc(c3cnc(cc23)-c4c(F)c(OC)cc(OC)c4)I)OCC1	6896
+c1(cc(-c2n(C)ncc2F)c(Cl)s1)C(=O)OC	6897
+c1c(cc2c(c(ncc2F)O)c1)Br	3974
+C1Cc2c(-c3c1c(sc3OCC)C(=O)N)n(C)nc2	767
+C(O)c1c2c(-c3c(CCC2)cccc3)ccc1	1146
+C1(c2c(CC1)cc(c(O)c2[N+]([O-])=O)O)=NO	189
+O=C1C(Cc2cc(c(c([N+](=O)[O-])c12)O)O)=Cc3ccc(c(OC)c3)OC	1103
+c1cc(ccc1CCCC)-c2c(c3[nH]c-4c(Cc5c-4ccc(N)c5)c3cc2)F	1150
+C1Cc2c(ccc(c2)F)C1O	74
+O=C(C(C#N)=C1CCc2cc(ccc12)F)OCC	6898
+c1c(cc2CCC(CC)(O)c2c1)F	6899
+[nH]1c-2c(Cc3c-2ccc(c3)F)c4c(C)cc(C)cc14	1150
+CC(Nc1c2c(CCCC2=O)c(c(F)c1)C)=O	3975
+C1Cc2c(cc(N)cc2)CCC1=O	0
+Clc1cc(Br)cc2CCC(=O)N(c12)C	239
+c12c(F)cc(Br)cc1CCC(=O)N2C	239
+N1c2c(CCC1=S)cc(cc2F)Br	199
+COc1cc([N+]([O-])=O)cc2c1NC(CC2)=O	297
+[N+](c1cc(F)c2c(CCN2)c1)([O-])=O	621
+CC(C)(C)OC(=O)Nc1c2c(ccc1)CCCN2	150
+c12c(c(C)c(c3c1CC(C)(O3)CI)C)N(CC2)C=O	6900
+c1c2c(c[nH]c2ccc1)CC(CO)NC(=O)c3cc(cc4c3OCCCC4)Br	14
+O=C1c2ccccc2C(=O)N1CC3Cc4c(O3)c5c(CCC5)cc4	332
+C1CC(=CC#N)c2c1cnc3OCCc23	2011
+c1cc(ccc1)COC(=O)Nc2ccc3c(CCC(=O)CC3)c2	90
+c1(F)c(c2CCNC(CC(OC)=O)c2cc1)Br	526
+c1cc(ccc1)NC(C(N2CCc3c(Cl)c(F)ccc23)CCO)=O	3976
+c1ccc(N)c(Nc2cc3c(C(c4ccc(OC)cc4CC3)=O)cc2)c1	1370
+C1(CCc2cc(ccc12)F)Cl	525
+c12ccccc1N(CCO)CC2	95
+C1Cc2c(nc(C)s2)-c3c(sc(C(=O)O)c13)SC	6
+C1Cc2c(nc(nc2)I)-c3c1c(nn3C)C(=O)N	247
+n1n(c2-c3c(CCc2c1C(N)=O)cnc(Nc4c(cccc4)C(C)=O)n3)C	6901
+Brc1cc2CCCNc2nc1	15
+CC(=O)N1c2c(cc(cc2C#N)CC(C)NCCOc3ccccc3OCC)CC1	6902
+FC(F)(F)COc1ccccc1OCCNC(C)Cc2cc(C#N)c3N(C(C)=O)CCc3c2	132
+COc1cc2c(cc1)C(C(CCCC)C2)=O	6903
+C1Cc2cc(OC)ccc2Sc3cccc(C(Cl)=O)c13	82
+c1cc(ccc1F)S(=O)(=O)N2CCCc3c2cc(c(c3)C)[N+](=O)[O-]	416
+FC(F)(F)c1cc(Nc2cc(cc(-c3sc(nc3)C4(O)c5c(CC4)cc(C(=O)OC)cc5)n2)C)ncc1	6904
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2cc3c(C(CC3)=O)cc2	2517
+C1(C(=O)c2c(ccc(Br)c2)CCc3c(c(ccc13)OC)C)=O	6905
+CC(C)(C)OC(N1CCc2n(nc(N3CCCc4ccc(cc34)C#N)c2C1)C5CCOCC5)=O	3723
+CC(C)N1CCCc2c1cc(C)cc2	3977
+C1Cc2ccc(nc2NC1)CCCl	221
+c1(nc2cc(ccc2nc1O)C(=O)OC)N3c4cc(OC)ccc4CCC3	6906
+c12cc([N+]([O-])=O)ccc1CCCN2C(=O)C	808
+O=S(=O)(c1c(OC)ccc(c1)Cl)N2CCCc3c2cc([N+]([O-])=O)cc3	416
+CC(C)(C)OC(N1c2c(CCC1)ccc(C(C)=O)c2)=O	603
+C1Cc2ccc(cc2NC1)COC	49
+C1Cc2ccc(cc2NC1)CO	88
+C1Cc2ccc(nc2NC1)CCC(N)=S	2670
+COP(OC)(CC(CCc1nc2NCCCc2cc1)=O)=O	3978
+C1Cc2ccc(nc2NC1)CCC#N	913
+c1c2CCC(=O)Nc2c(cc1C(=O)C)F	94
+CC1(C)C=Cc2cc(CC(NC3CCCc4ccccc34)=O)ccc2O1	9
+c12c(cccc1)CCc3c(cccc3)C2=CC4CNCCO4	215
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NC2CCC(CC2)=C3c4ccccc4CCc5ccccc35	71
+c12c(cccc1)CCc3c(cccc3)C2=CC4CNCCO4	25
+c12ccccc1CCc3c(cccc3)C2CC(O)=O	3471
+C1Cc2c(cc(c(n2)O)NC)-c3c1cccc3	6907
+C1Cc2nc(O)c(cc2-c3c1cccc3)Cl	6908
+c1c[n+](c2c(c1)CCCCC2)[O-]	341
+c1cc(ccc1CC(=O)NNC(=O)c2c(OC)c3n(c2)CCN(C)C3=O)F	2716
+C1Cn2c(C(N1C)=O)c(OC)c(c2)C(=O)O	6
+CC(C)(C)[Si](C)(C)OCC1CCn2c3ccccc3cc2C1	19
+C1Cn2c(C(N1C)=O)c(OC)c(c2)C(=O)OCC	542
+FC(F)(F)c1c(NC)nc(nc1)Nc2cnn3CCN(c23)C	486
+C1CN(C(=O)CC)CC1c2cc([N+]([O-])=O)ccc2OC	1564
+C1N(C(=O)CC)CCC1CC(NN)=O	743
+c1ccccc1COC(Nc2ccc(N3CC(N(CC3)C)=O)c(F)c2)=O	90
+C1N(C(=O)CN(c2ccc(N)cc2F)C1)C	0
+C1N(C(=O)Cc2cccs2)CCCC1C(Cl)=O	130
+C(=O)(C1CN(C(=O)Cc2cccs2)CCC1)NCC	68
+Cc1ccccc1-c2cc(c(C(=O)N3Cc4cccn4Cc5c3cccc5)cc2)OC	134
+c1cc(ccc1C)S(=O)(=O)OCCC2CCCCN2CCCCCCCCCCCCCCCCCC	36
+FC(F)(F)c1nnc2ccc(nn12)N3CCC(CC3)(c4ccc(cc4)OCCN5CCN(C(=O)C5)C)O	20
+C(OCC)(=O)c1c(sc2c1CN(C(OCC)=O)C2)N=COCC	6909
+C(C)OC(=O)N1Cc2c(C1)sc3ncnc(O)c23	1868
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(Cc2ccc(cc2)-c3cnc4C(=O)N(Cc4c3)C)C(=O)N)=O	156
+Clc1c2c(ccc1)CCN(C#N)CC2	6910
+C1C2c3cccc4N(CCN(c34)C2CCN1)C	215
+FC(F)(F)c1cccc(Oc2c(cc(COC=3C=C4N(C)CCN4C(N=3)=O)cc2)C#N)c1	2468
+C1N(C2=CC(=NC(=O)N2C1)Cl)C	6911
+c1cc(ccc1-n2nc(cc2NC3=NC(=O)CN3C(=O)C)C)F	6912
+C1N(CC1(F)F)c2c(nc(C(=O)O)cn2)Br	1
+FC(F)(F)COc1c(ncc(n1)C(=O)O)N2CC(F)(F)C2	1335
+C1N(CC1)C(c2cnc(Oc3cc(cc(OC(C)COC)c3)C(=O)Nc4nn(cc4)CC)c(Cl)c2)=O	136
+C1N(CC1)C(c2ccc(cc2)C(=O)O)=O	1
+C1N(CC1)C(c2cnc(c(Cl)c2)Oc3cc(cc(C(O)=O)c3)OC(CO)C)=O	1
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(Oc2c(Cl)cc(cn2)C(N3CCC3)=O)cc(c1)C(O)=O)C	19
+C1N(CC1)C2=NC3C(OC(CO)C(O)C3O)S2	59
+c1cc(ccc1C)S(=O)(=O)OCC2C(O)C(O)C3C(O2)SC(N4CCC4)=N3	36
+C1N(CC1)C2=NC3C(O)C(C(OC3S2)CO)OC(C)=O	59
+C1CCN1c2cc(nc3ccc(N)cc23)CCC	0
+C1CCN1c2cc(ncn2)Nc3ccc(cc3)C(O)=O	73
+C1CC2(CCN1C(Cc3cn4nc(C)sc4n3)=O)CN(C2)C5c6c(CC5)cc(-c7cc(C)ncn7)cc6	10
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CC4(C3)COC4	372
+C[Si](C)(C)CCOCn1cc(C(=O)NC(C2CC2)C(N3CC(C3)C#N)=O)c4nc(N5C(=O)c6c(C5)c(Cl)ccc6)cnc14	2717
+C1N(CC1C(=O)O)c2ncccc2Br	270
+C1C(CN1C(OCc2ccccc2)=O)C3(CC3)C(OCC)=O	6913
+C1N(CC1C(=O)N2CCCN(C(C)C)CC2)C(=O)c3cnc(C)cc3	85
+C1C(CN1c2ncccc2Br)C(=O)OC	3979
+C1C(CN1c2nc(C)nc(-n3nc(nc3C)C)c2)c4nc5ccccc5[nH]4	791
+FC(F)(F)C1CCC(CC1)Oc2ccc3cc(ccc3c2)CN4CC(C4)C(OC)=O	20
+C1N(CC1CCCCNC(c2cc3cnccc3[nH]2)=O)C(c4ccccc4)=O	81
+CC(C)(C=C(C(N1CC(C1)Cn2c3c(nc2NC(c4sc(cc4)C(F)F)=O)cccc3)=O)C#N)N(C)C	847
+C1C(CN1c2ncccc2)NC3=C(S(=O)(=O)N(C(C)C)C3=O)c4ccccc4	1904
+CC(C)(C)[Si](C)(C)OC1CN(C1)C(=O)OCc2ccccc2	19
+O=S(=O)(OC1CN(C1)C(c2nnc(-c3ccc(cc3)OC)o2)=O)C	7
+C1C(CN1C(=O)c2cc(-c3c(cc(C)cc3)C#N)cc(C(=O)O)c2)O	6
+C1C(CN1CCc2c(cccc2)N3CCCCC3=O)OS(=O)(=O)C	7
+O=S(=O)(OC1CN(C1)c2c(c3N(C=C(C(=O)OCC)C(c3cc2F)=O)C4CC4)F)C	7
+CC(C)(C)[Si](C)(C)OCCN(C(c1nc(N2CC(C2)O)sc1)=O)C	19
+C[Si](C)(C)c1c2n(Cc3cc(F)ccc3)c(C(=O)Nc4cnc(cc4)N5CC(C5)O)cc2ccc1	510
+C[Si](C)(C)c1cc2c(cc(C(=O)Nc3cnc(cc3)N4CC(C4)O)n2Cc5cccc(F)c5)cc1	510
+C1N(CC1O)c2ncc(cc2)N	13
+c1ccccc1NC(c2cnc(cn2)N3CC(C3)Oc4cc(ccc4Br)F)=O	466
+C1C(CN1C(Nc2cccnn2)=O)Oc3ncc(-c4c(c(ccc4)OC)F)cc3	89
+C1C(CC1)(CCN2CC(C2)Oc3ccc(cc3)Cl)NC(Nc4nnc(CC)s4)=O	238
+C1N(CC1Oc2ncc(cc2)-c3cc(O)ccc3)C(Nc4cnccc4)=O	796
+C1C(CN1C(N)=NO)c2onc(-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)n2	3699
+c1c2c([nH]c3C(CC=C)(CN(Cc23)C)C)ccc1C	518
+c1cc(ccc1C2C(c3ccc(c(c3)F)Cl)=C(c4cc(ccc4O2)OC5OCCCC5)C)OCC(C)N6CCC(CF)C6	669
+C1N(CCC1COC(=O)Nc2c(cccc2)-c3cc(CO)ccc3)C	11
+FC(F)(F)c1cc(C(NCC(=O)NC2CCN(C2)C3CCCCC3N=[N+]=[N-])=O)ccc1	9
+FC(F)(F)C(NCCNC1CN(c2ccnc3ccc(OC)nc23)CC1)=O	605
+Clc1cccc(C(NCc2cc(OCC3CN(C)CCC3)c(Cl)cc2)C)c1	72
+C1N(C)CCCC1Cn2cc(-c3cc(C#N)ccn3)nc2	871
+C1N(CCCC=O)C(=O)CCCCC1	465
+Nc1cc(C)cc(-c2sc(nc2Cl)N3CCCNC(=O)C3)c1	836
+Cc1nc(N)nc(NCCCC)c1Cc2c(OC)cc(cc2)N3CCN(CC3=O)C	654
+c1ccccc1-n2c(cc(n2)-c3cccnc3)NC(NC4C(c5cc(F)c(cc5)F)CN(CCOC)C4)=O	6914
+C(COc1cc(C(Nc2sc3CN(CCc3n2)C)=O)ccc1)(Nc4cccc(C#N)c4)=O	900
+Nc1sc2CNCCc2n1	526
+C1N(CCc2c3C(N(C=Nc3sc12)CCCl)=O)C	6915
+C1N(CCc2ccnc3c2nc(OC)cc3)CCCC1CNCc4ccc5c(n4)NC(=O)CS5	294
+CN(C)CC(=O)N1c2ccc([N+]([O-])=O)cc2CC1	224
+CN1C=C(C=C(C1=O)Nc2cccc(N3CC(NC(C=C)=O)CCC3)n2)Br	523
+c1cc(ccc1S(=O)(=O)Cl)C(=O)N2CCN3CCCC3C2	115
+O(c1nnc(cc1)Cl)C2CCN3CCCC2C3	485
+O=S(=O)(C)OCC1CN2C(CC1)CN(CC2)c3noc4ccccc34	7
+O=Cc1cc(ccc1O)-n2nncn2	6916
+c1(Cl)cc2c(C=O)c[nH]c2nc1	6917
+Fc1cc(cc(F)c1O)C=O	1934
+O=Cc1cc(cc(Cl)c1O)Br	1934
+c1(O)c(cc(cc1F)Br)C=O	1934
+N1C(CN=C(c2c([N+]([O-])=O)cccc2)c3ccsc13)=S	2718
+N#Cc1c(OCCOCCOC)cc2c(C(c3c(cccc3)Cl)=NCC(N2)=S)c1	199
+Clc1cc(c(cc1)C2CNC(=O)C2)Br	480
+C1NC(=O)CC1c2ccc(Cl)c(N)c2	0
+c1ccccc1CCCOc2cc(ccc2OC)C3CNC(=O)C3	8
+c1c(ccc(c1Cl)Cl)C=CC(=O)N2CCNC(CC2)=O	404
+FC(F)(F)c1cnc(cc1)N2CC(NCC2)=O	3980
+O=S(=O)(Cc1c(OCCN2CC(NCC2)=O)cc(C(Nc3ccc(Cl)c(-c4ccccn4)c3)=O)cc1)C	1508
+c1([N+]([O-])=O)ccc(N2CC(=O)NCC2)nc1	3980
+O=C(N1CC(=O)NCC1)c2c(c(c(cc2)F)Cl)Cl	6918
+c1cc(ccc1C2CN(CC(=O)N3CCNC(=O)C3)C(=O)C2)Cl	348
+c1cc(ccc1)CCN2CCNC(=O)C2	1508
+CC(C)(C)OC(=O)N1C(Cc2c3c(cccc3)[nH]c2C1)C(=O)O	663
+n1cccnc1-c2c(C(N3C(CCC(O)C3)C)=O)ccs2	3866
+C(C)OC(=O)N1C(CNC(C1)C)C	66
+c1([N+]([O-])=O)ccc(c(F)c1)N2C(CNC(C)C2)C	34
+C1NC(NCC1)=NCCCOc2ccc3CC(CC(O)=O)c4c(Cc3c2)cccc4	3
+c1cc(ccc1[N+]([O-])=O)N2CCC3C2CCN3	34
+O=S(=O)(N1CC(Nc2c(C(=O)N)cnn3c2cc(Br)c3)C(C)C1)C	112
+c1(NC2CN(c3ccc(cn3)C#N)CC2C)c(C(=O)N)cnn4c1cc(c4)Br	323
+C1CC1C2(CN(C2)c3cc(Nc4n[nH]c(c4)C)nc(n3)SC)F	54
+C1C(CN1c2nc(S(=O)(=O)C)nc(c2F)Nc3cc(n[nH]3)C)(F)C4CC4	54
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(ccc(F)c2Cl)F)=O)C3CCCCN3C	112
+C1N(CC1(C(=O)N)NCC)c2ccnc3c(c(nn23)-c4c(cccc4)Cl)I	1575
+C1C2(CN1c3c([N+](=O)[O-])cc(c(c3)OC)Nc4nccc(n4)-c5cnn6c5CCCC6)N(CCC2)C	34
+CC(C)(C(c1cc(cc(c1)F)C(=O)OCC)C2CN(C2)C(c3ccc(cc3)C#N)c4cccc(c4)C#N)F	1109
+C1C(CN1C(c2cccc(c2)C#N)c3ccc(cc3)Cl)C(C(C)(C)F)c4cc(cc(F)c4)C(=O)OCC	1109
+CC(C)(C)OC(=O)NCCCN1CC(C1)Cc2ccc(cc2)Cl	28
+C1C(CN1CC2Oc3c4ccc(C)nc4ccc3OC2)Cc5cn(c6c5cc(F)cc6)C	2510
+C1C(CN1C(c2cnn(C)c2C(=O)Nc3ccn4nc(nc4c3)N(C)C)=O)F	1020
+FC(F)(F)COc1cc(ccc1Br)C(N2CC(C2)F)=O	30
+C1C(CN1c2ncnc3c2c(I)nn3C)F	1577
+FC(F)(F)c1cc(Br)cc(C(N(CC(CCN2CC(C2)N3C(COCC3)CCO)c4ccc(cc4)F)C)=O)c1	61
+C1N(CC1N2CC(C2)NC(=O)C=C)C(CNc3cc(c(Cl)cc3O)Cl)=O	10
+c1cc(ccc1C(Nc2nc(Nc3cnccn3)cc(n2)N4CC(C4)NC(C)=O)C)F	54
+O1CCOC1c2cnc(cc2)-c3sc4c(nccc4Oc5ccc(cc5F)NC(=O)NC6CN(C6)C)c3	113
+C1OCC1N2CCC(CC2)c3cc(N4CC(C4)OC)nc(c3)Cl	43
+C1C(CN1c2ncc(cn2)C(=O)OC)OC	117
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)N2CC(C2)OCCOC3CCCCO3	560
+C1C(CN1c2cnc(cn2)C(OC)=O)Oc3cc(ccc3Br)F	317
+CC(C)(C)OC(NC(CCN1CC(C1)Oc2ccc(cc2)Cl)COC)=O	183
+CC(C)(C)OC(=O)NC1(CCC1)CC(=O)N2CC(C2)Oc3ccc(cc3)Cl	10
+C1C(CN1C(Oc2ccc(cc2)[N+]([O-])=O)=O)Oc3ccc(Br)cn3	66
+c1cc(ccc1)C(c2ccccc2)(O[SiH2]C(C)(C)C)C(CCN3CC(C3)S(=O)c4ccc(cc4)Cl)NC(OC(C)(C)C)=O	183
+c1(Cl)cncc(Cl)c1N2CC(C2)c3[nH]c4c(n3)ccc(C)c4	264
+C1N(CC1c2onc(n2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)C#N	739
+C1C(CN1C(=O)c2[nH]c3ccccc3n2)c4nccnc4Cl	2090
+C1NCC2C(C)c3cc(Cl)c(cc3C12)O	5
+C1NCC2C(C)c3cc(Cl)c(cc3C12)OC	196
+c1cc(ccc1)COC(=O)N2CC3C(=O)CCC3C2	66
+c1nc(ncc1C(OCC)=O)N2CC(Oc3ccccc3OCC)CCC2	117
+CC(C)c1c(C)nc(SC)nc1N2CCOc3ccc(cc3C2)-c4cc5nc([nH]c5cc4)C	54
+CC(C)(C)OC(=O)N1CCc2sccc2CC1	23
+c1ccccc1CSc2nc(N3Cc4n(CC3)ccn4)c(C(OC)=O)c(NCc5ccc(c(c5)Cl)OC)n2	54
+FC(F)(F)c1cnn2c(ncc2-c3cccc(c3)-c4cnccc4)n1	6919
+C(#N)c1c(-c2cc(N)c(cc2)-n3nccc3)cccc1	749
+C(#N)c1c(cccc1)-c2cc([N+]([O-])=O)cc(F)c2	749
+c1cc(ccc1OCCN2CCOCC2)-c3cc4c(C=O)c[nH]c4cc3Cl	749
+c1cc(ccc1OCCO)-c2c(F)c3c(C=O)c[nH]c3cc2F	749
+c1cc(ccc1NC(Nc2c(c(C3CC3)cc(-c4c(cccc4)C#N)c2)OCCC)=O)C5CC5	749
+c1ncccc1-c2cccc(Br)c2	6920
+C1(c2nc3cc(ccc3n2-c4cccc(C(=O)OC)c4C)F)CCCO1	3981
+C1SC(N)=NC2(c3c(F)ccc([N+]([O-])=O)c3)C1CC(CO)OC2	6921
+C1(OC2CC(CC(c3ccc(c(c3)Cl)Cl)C(=O)OC)CC2)CCCCO1	434
+O=C(O)c1ccc(c(F)c1Nc2c(F)cc(cc2)C#CCOC3OCCCC3)F	275
+C1OC(CCC1)OCC(n2c3c(c(C(=O)c4cncc(N)c4)c2)cncn3)C	3982
+C1OC(CCC1)OCC(n2c3c(c(C(=O)c4cncc(N)c4)c2)cncn3)C	3983
+CC(C)c1cn(nn1)CC(=O)Nc2cncc(c2)C(=O)c3c4c(ncnc4)n(c3)C(COC5CCCCO5)C	469
+c1c2c(ccc1)nn(n2)CC(Nc3cc(cnc3)C(=O)c4c5c(ncnc5)n(c4)C(COC6CCCCO6)C)=O	469
+C1OC(CCC1)OCC(n2c3c(c(C(=O)c4cc(cnc4)Br)c2)cncn3)C	6922
+C1OC(CCC1)OCC2CCc3cc(NC(C)=O)ccc3O2	125
+CC(=O)Nc1ccc2c(CCC(CO)O2)c1	168
+C1OC(CCC1)OCC2CCc3cc(N)ccc3O2	0
+C1CC12CCC(COC3CCCCO3)N2C	6923
+C1OC(CCC1)OCC2Oc3c(N)cc(cc3CC2)F	0
+C=1C(=O)C(OCCCCn2ccc3ccccc23)=COC=1COC4OCCCC4	339
+CC(C)(C)[Si](C)(C)OC1(CCN(CC1)C(=O)OC(C)(C)C)c2n(CCOC3CCCCO3)cc(n2)-c4ccc(c(C)c4)F	541
+c1c(OCCOC2OCCCC2)c(cc([N+]([O-])=O)c1)OC	8
+c1cc(c(C=O)c(F)c1OCCOC2OCCCC2)F	8
+c1cc(OC)cc(C=O)c1OCCOC2OCCCC2	8
+O=S(=O)(c1c(F)ccc(F)c1)N(COC)c2c(c(ccc2)-c3nn(cc3Br)CCOC4OCCCC4)F	338
+C1OC(CCC1)OCCOc2cccnc2CO	458
+c1ccccc1CCCC(C)(Cc2ccc(cc2)OCCOC3CCCCO3)C(=O)OCC	8
+c1cc(ccc1CC(Oc2ccccc2)C(OCC)=O)OCCOC3CCCCO3	8
+c1cc(ccc1C(C)C)OC(Cc2ccc(cc2)OCCOC3OCCCC3)(C)C(=O)OCC	8
+c1cc(ccc1)COc2ccccc2OCCOC3OCCCC3	8
+c1c2nccc(c2ccc1OCCOC3OCCCC3)-c4c5n(nc4-c6ncccc6)CCC5	8
+C1OC(CCC1)OCCC#CCO	6924
+c1cc(ccc1OCC#CCCOC2OCCCC2)S(=O)(=O)N3C(C(=O)OC)C(C)(C)SCC3	6925
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC#CCCOC3OCCCC3	6926
+c1cc(ccc1)COC(=O)CCOC2OCCCC2	283
+c1(C)cc(cc(C)c1Br)OCCCOC2CCCCO2	8
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCCCCCCCCCC#CCCCCOC3CCCCO3	2354
+CC(C)(C)OC(COCCCCOC1CCCCO1)=O	337
+O=C1N(c2c(cc(cn2)Oc3cncc(Cl)c3)C(N1CCCOC4OCCCC4)=O)C	3984
+CC(C)(C#N)c1nn(-c2cc(OCCOC3CCCCO3)ccc2)c(N)c1	20
+C1OC(CCC1)OCCOc2nc(Oc3ccc(Br)c(C=O)c3)ccc2C#N	136
+O=S(=O)(C)OCc1ncccc1OCCOC2CCCCO2	710
+CC1(C)OB(OC1(C)C)c2c(C=O)cc(Oc3ccc(c(OCCOC4CCCCO4)n3)C#N)cc2	17
+FC(F)(F)C(c1ccc(cc1CCOC2CCCCO2)OC)(O)C	6927
+c1(cc(CCOC2OCCCC2)ccc1)C=O	146
+c12c(c(c(Cl)cc1C)COC3OCCCC3)cc[nH]2	1654
+CC(C)C(NCc1cncc(c1COC2OCCCC2)Cl)=O	68
+CC(C)(C)OC(=O)CC(c1cc(-n2c(cnn2)COC3OCCCC3)ccc1)=O	6928
+CC(C)(C)OC(N1CCC2(CC1)Oc3ccc(C=CC(NOC4OCCCC4)=O)cc3C(C2)=O)=O	793
+CC(C)CC(C(=O)NOC1CCCCO1)C(CCC)O	293
+CC(C)CC(C(=O)NC(CCc1ccccc1)C(=O)NC)CC(=O)NOC2CCCCO2	293
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCC(S(=O)(=O)C)(C(NOC3CCCCO3)=O)C	293
+CN(C)c1ccccc1CN2CC(CC2)Nc3cnc(C=CC(NOC4CCCCO4)=O)cn3	793
+O=S(=O)(C(CCc1ccc(cc1)Br)(C(NOC2CCCCO2)=O)C)C	293
+O=S(=O)(C)C(CCn1ncc(-c2cnccn2)c1)(C)C(NOC3CCCCO3)=O	1376
+C1CC1C#Cc2cc(no2)CCC(S(=O)(=O)C)(C)C(NOC3CCCCO3)=O	293
+O=S(=O)(c1ccc2ncnc(Nc3cc(ccc3)C#C)c2c1)n4cc(cc4)C=CC(=O)NOC5OCCCC5	793
+O=S(=O)(n1cc(cc1)C=CC(=O)NOC2OCCCC2)c3cc(ccc3)Br	793
+c1cc(ccc1)C=2C=CN(C(=O)C=2C)CCC(C)(C(NOC3CCCCO3)=O)S(=O)(=O)C	293
+c1cc(ccc1)CN2CCC3(CCC2)Oc4c(cc(C=CC(NOC5OCCCC5)=O)cc4)C(C3)=O	793
+O=S(=O)(C(CCc1ccc(cc1)-n2cccn2)(C(NOC3CCCCO3)=O)C)C	293
+c1cc(ccc1CCC(C(=O)NOC2CCCCO2)(S(=O)(=O)C)C)Oc3ccccc3	293
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(NOC3OCCCC3)=O)=O	793
+c1cc(ccc1C(=O)N(C(C(NOC2CCCCO2)=O)(C(NC)=O)C)C)I	6929
+c1ccccc1CS(=O)(=O)n2cc(C=CC(=O)NOC3OCCCC3)cc2	793
+c1nc(ncc1C(=O)NOC2CCCCO2)N3Cc4[nH]c5ccccc5c4CC3	6930
+C(OC(=O)CC1OB(c2cc(cc(C)c12)O)O)C	805
+C(OC(=O)CC1OB(c2cc(O)cc(Cl)c12)O)C	805
+FC(F)(F)S(=O)(=O)Oc1cc(OC2OCCCC2)cc(c1C=O)Cl	166
+FC(F)(F)Oc1ccc(cc1)COc2nc3c(cc2)cc(OC4CCCCO4)cc3	1155
+C1OC(CCC1)c2c(c(nc(C)c2C#N)Cl)C#N	1655
+C(#N)c1c(nc(c(c1C2OCCCC2)C#N)C)S	3985
+C(F)C1(CF)OCC(CO1)COc2c(C)c(CO)ncc2	813
+c1cc(OC)c(CC2COC(=O)N2CCC)cc1Br	3986
+c1(c(F)c(OCC(O)C)c(cc1)[N+]([O-])=O)F	168
+C1OC(CF)(CF)OCC1COc2c(C)c([n+]([O-])cc2)C	857
+C(C#CCCCCCCCC#C)CCCO	168
+O=C(C)OC1COC(n2c(Br)nc3cc(c(F)cc23)F)C(O)C1O	59
+c1c(F)c(ccc1F)C(C(C)c2ncccc2)(Cn3ncnc3)O	1377
+c1c(F)c(ccc1F)C(C(C)c2cccnc2)(Cn3ncnc3)O	1377
+C1CC2(OCC(CO2)COc3cc[n+]([O-])c(c3C)CO)CCO1	3987
+c1(ccc(cc1Br)F)C2C(C(=O)OCC)=C(N=C(c3sc(OC)cn3)N2)CN4C(CO)COCC4	2644
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ccc(CN5CCOCC5=O)cn4	3463
+C1C(CO1)(C)C(c2ccc(C)o2)N	18
+C1OCC1(C(N=[N+]=[N-])c2oc(C)cc2)C	6931
+CC(C)(C)OC(=O)N1c2cc(Cl)ccc2C(=Cc3c(ccc(c3)Cl)OCC4(COC4)C)C1=O	1881
+C1C(CO1)(COC)CBr	76
+C1C(CO1)(CO)Cn2cc(cn2)[N+]([O-])=O	338
+C1OCC1(CC(=O)N)N	728
+c1cc(ccc1S(=O)(=O)OCC2(COC2)C)C	36
+C1OCC1(CC(=O)O)c2ccc(cc2)OCc3cc(-c4c(C)cc(cc4C)OCC5COCC5)ccc3	3
+c1cc(ccc1-c2cc(COc3ccc(cc3)C4(COC4)CC(OCC)=O)ccc2)O	11
+C1OCC1(c2ccc(cc2)OCc3cc(-c4c(C)cc(cc4C)OCC5COCC5)ccc3)CC(=O)OCC	267
+FC(F)(F)COc1c(C2CC2)ccc(C(NC3(COC3)c4nccs4)=O)n1	81
+c1cc(ccc1)CNC2CCC3(CC2)COC3	87
+c1cc(ccc1O)C2(COC2)CC(=O)OCC	6932
+CC(C)(C)OC(N1CCN(C2COC2)C(C1)CO)=O	85
+CC1(C)N(CCN(C1)c2ccc(cc2OC)[N+](=O)[O-])C3COC3	85
+C1OCC1N2CCN(C(C2)CC)c3ccc(nc3)NC4=CC(=CN(C4=O)C)Br	85
+O=S(=O)(CCC)NCc1ccc2c(C(Cc3ccccc3)C(CC2)NC4(COC4)C#N)c1	6933
+FC(F)Oc1cc(-c2nc(nc(c2)C3CCN(CC3)C4COC4)C5CC5)cnc1N	85
+C1C(CO1)N(Cc2n(nc(c2)[N+]([O-])=O)C)C	85
+C1C(CO1)N2Cc3cc(NC4=CC(=CN(C4=O)C)Br)nn3CC2	85
+c1cc(ccc1CN2c3c(C(=O)N(C2=O)Cc4ccc(cc4)C(NCC5COC5)=O)cccc3)C	14
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)NC3COC3	6934
+FC(F)(F)c1c(N)ncc(c1)-c2nc(N3CC(C3)OC)cc(C4CCN(CC4)C5COC5)c2	1608
+CC1(C)OB(OC1(C)C)C=2C=C(Nc3ncc(N4C(CN(CC4)C5COC5)CC)cc3)C(=O)N(C)C=2	1371
+C1C(NC(=O)c2cncc(N)c2)(CCO1)C(=O)O	1317
+CC(C)(C)OC(=O)N1CC(c2cccc(c2)F)NC(=O)C13COCCOC3	1568
+c1([N+]([O-])=O)cc-2c(OCc3n-2cc(C(=O)OC)n3)cc1	31
+C1c2c(c(F)c(F)c(OCOC)c2I)OCC1	184
+O=S(=O)(c1ccccc1F)Nc2ccc3C4C(COc3c2C(OC)=O)OCC4	69
+FC(F)(F)S(=O)(=O)Oc1cccc2c1NC(CNC(=O)C)CO2	166
+c1cc(ccc1C)SC(CCCCCN2Cc3cc4c(cc3CC2)OCO4)c5ccc(c(c5)OC)OC	28
+C(NCCCNc1cc2OCOc2cc1)C3COc4ccccc4O3	15
+c1cc(ccc1OC2CCCN(Cc3ccc4c(c3)OCO4)C2)N	171
+c1ccccc1C(c2ccccc2)(C3CN(Cc4ccc5OCOc5c4)CC3)C(N)=O	171
+C1Oc2ccc-3c(c2C1)C(=CC#N)c4c-3cccc4	2719
+C1Oc2cccc(c2NC1CNC(C)=O)OC	206
+C1Oc2c(c(ccc2)O)NC1CNC(C)=O	5
+O=S(=O)(c1ccc(cc1)C)OCC2Nc3c(OC)cccc3OC2	36
+CC(C)(C)OC(N=C1NC2(COC(CC2CS1)CO)c3cc([N+](=O)[O-])ccc3F)=O	2720
+C1SC=2C(N3C(C=CC(C(=O)N)=C3)=NC=2C1)=O	6935
+C1SC=2C(N3C(C=CC(=C3)C(=O)O)=NC=2C1)=O	108
+C1SC=2C(N3C=C(c4nnn[nH]4)C=CC3=NC=2C1)=O	6936
+C1SC=2C(N3C(C=CC(C#N)=C3)=NC=2C1)=O	6937
+C(=O)(Cc1ccc2SCc3c(cccc3)C(=O)c2c1)OCC	1643
+c1ccccc1COC(N2CCc3c([nH]c4c3cccc4)C2)=O	613
+c1ccccc1COC(N2CCc3c([nH]c4c3cccc4)C2)=O	66
+C1c2c(cncc2C(NC(CC)=O)C1)-c3cc4CCC(N(c4cc3)C)=O	156
+c1c(sc(-c2cc3CN(C(c3cc2)=O)C)c1)I	1927
+C1Cc2c(C(c3cccc(c13)O)=O)ccc(Cl)c2	5
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(=O)c2cc1	166
+c1c2CCCC(c2ccc1OCCCl)=O	267
+O(c1cc2CCCC(c2cc1)=O)c3ncc(cc3)C(=O)N	136
+C1c2c(Br)cncc2C(NC(CC)=O)C1	9
+C1CC(Cc2c1c(ccc2)O)O	100
+c12c(CC(C1)(C(NC)=O)CCCCCCCCO)c(c(OC)c(OC)c2OC)OC	9
+C1C(Cc2cc(Oc3ncc(cc3)C(=O)N)ccc12)C=O	24
+C1C(CO)Cc2ccc(O)cc12	6938
+C1c2c(CC1Nc3nc4CCN(C(c5ncc(cc5)-c6nn[nH]c6)=O)Cc4cn3)cccc2	6939
+C[Si](C)(C)C#Cc1cnc(cc1)C(N2Cc3c(CC2)nc(NC4Cc5c(C4)cccc5)nc3)=O	683
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(OCCCc5c[nH]nn5)=O)cccc2	6940
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(OCCCC#N)=O)cccc2	913
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(=O)OCCCc5nnn[nH]5)cccc2	3988
+C[Si](C)(C)C#Cc1cc(C(=O)N2Cc3cnc(NC4Cc5ccccc5C4)nc3CC2)cnc1	683
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(=O)OCCCCl)cccc2	66
+C1c2c(CC1Nc3nc4c(CN(C(=O)c5cncc(Br)c5)CC4)cn3)cccc2	211
+C1c2c(CC1Nc3nc4CCN(C(c5ncc(Br)cc5)=O)Cc4cn3)cccc2	147
+c12c(OC(N)=C(C#N)C1c3cc(c(c(c3)OC)OC)Br)c4CCCCc4cc2	6941
+CC(C)Oc1c(ccc2c1CCCC2)OC	521
+FC(F)(F)c1cc(NC(=O)c2nccc(N3Cc4c(C3)cnc(SC)n4)c2)ccc1	1465
+FC(F)(F)c1cc(ccc1)N2C3=C(C(=O)CCC3)C(c4ccc(cc4)C#N)N(CC(=O)N5Cc6c(n(nc6)C)C5)C2=O	10
+Clc1c2c(c(Cl)s1)CNC2	2721
+OC1c2cc(cc(F)c2CCC1)Br	74
+c12N(C)C(=O)CCc1cc(cc2)-c3cc(ccc3)F	239
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCO)OC)OC	44
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCN3C(c4c(cccc4)C3=O)=O)OC)OC	1656
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCNC(=O)C)OC)OC	68
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCN)OC)OC	45
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCOS(=O)(=O)C)OC)OC	7
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCI)OC)OC	572
+c1ccccc1-c2c(-c3ccccc3)ncc(N(C)C4CCc5c4cccc5OCOC)n2	317
+C(c1cc2c(cc1)C(Cc3c(S2)cccc3)=O)O	49
+C1CCOc2c1c(I)c(O)c(F)c2F	241
+C1c2c(cc(c(c2)O)F)CCC1C(=O)O	5
+C(OC)(=O)C1Cc2c(cc(c(c2)O)F)CC1	27
+C1c2c(cc(cc2Cl)F)C(C1)(O)CC(=O)O	3
+Ic1cc2c(CCNC2=O)[nH]1	3989
+C1c2c(ccc(Br)c2)CC1N3C(=O)CN(CCc4cc5COC(=O)c5cc4)CC3	2575
+C(OC)(=O)C1Cc2c(ccc(c2)O)CC1	27
+c1cc(ccc1)C(=C2c3ccccc3N(C2=O)C(C)=O)OCC	6942
+c1([N+]([O-])=O)ccc2c(CC(=O)N2C(=O)C)c1	31
+c1cc(ccc1C(=O)N2c3c(cccc3)Cn4c(C2)ccn4)[N+]([O-])=O	448
+[N-]=[N+]=NC1CCc2c(cccc2F)NC1=O	6943
+CC(C)(C)OC(COc1cccc2c1CCCC2=O)=O	52
+Clc1ccc(c(COc2c3CCCC(c3ccc2)=O)c1)Br	22
+c1cc(ccc1)COc2c3c(ccc2)C(CCC3)=O	22
+c12CCCC(c1cncc2Br)=O	6944
+C1c2c(nc(C(=O)O)s2)CC1	6
+FC(F)(F)c1cc(COc2ccc3c(c4CCC(c4[nH]3)CC(OCC)=O)c2)ccc1CC5CCCCC5	22
+FC(F)(F)c1cc(ccc1OCC2CC2)COc3ccc4c(c5CCC(c5[nH]4)CC(OCC)=O)c3	139
+c1cc(ccc1COc2ccc3c(c2)c4CCC(c4[nH]3)CC(OCC)=O)-c5csnn5	22
+c1cc(ccc1COc2ccc3c(c2)c4CCC(c4[nH]3)CC(OCC)=O)-c5nccnc5	6945
+C1CC(CN)Cc2[nH]c3c(c12)c(ccc3C(=O)N)Br	6946
+C1c2c3c([nH]c2C(CC(OCC)=O)C1)ccc(O)c3	5
+c1cc(ccc1C(C)C)SCc2cc3CCN(CCc3cc2)CCC	2722
+CC(C)CN(CC(OC)=O)C(CNC(=O)C1COc2ccc(cc2C1)OC)=O	207
+C1c2cc(CCl)ccc2CCN(CCC)C1	438
+C1c2ccc(c3c2c(ccc3)C1)N4CCNC(C)C4	79
+C1c2ccc(N3CC(C)N(CCC4c5c(CCO4)cc(cc5)C(=O)N)CC3)c6c2c(ccc6)C1	123
+c12c(nc(C=Cc3cc4C(=O)c5c(COc4cc3)cccc5)cc1)cc(Cl)c(F)c2	3990
+c1cccc2CC(Cc12)(NC(=O)c3ccc(c(OCCc4cc(C)ccc4)c3)Br)C(=O)OC	259
+c1cccc2CC(Cc12)(C(=O)OC)NC(=O)c3cc(Br)c(c(c3)F)OC	259
+c1c2CC3(N(C)C(=O)NC3=O)Cc2cc([N+]([O-])=O)c1	77
+C1CCN(C1)C2Cc3c(C2)cc(cc3)[N+](=O)[O-]	31
+c1ccccc1N(CCCC2CCCCN2Cc3ccccc3)C4Cc5c(cccc5)C4	79
+c1c2c(ccc1)CC(C2)Nc3c4nc[nH]c4nc(-n5nc(C)cc5C)n3	2723
+C1c2ccccc2CC1Nc3c4nc[nH]c4nc(NN)n3	1657
+CC(C)(C)OC(Nc1cc(N2CCc3c(cnc4ccnn34)C2)ccc1)=O	79
+CC(C)(C)OC(=O)N1Cc2c(cc(cn2)Br)C1	23
+c1(CN2Cc3c(C2)nccc3)nn4c(c5c(nc4N)c(ccc5)COC)n1	894
+CC(C)(C)OC(=O)Nc1cc2c(CCC2)s1	2724
+C1c2sc(C(=O)O)cc2CC1	1
+c1(c2C(C)NCCc2sc1)C	6947
+CC(C)(C)OC(=O)N1Cc2cc3cc(ccc3n2CC1)OC	23
+C1n2c3ccc(cc3nc2CNC1)C(=O)OCC	47
+C(C)OC(=O)c1cc2nc3n(c2cc1)CCN(C)C3	113
+n1c(c(Br)cc(Br)c1)C#N	6948
+O=C1C(C(=O)C)=C(C=C2C1(c3c(cc(c(C(=O)NCc4c5c(cccc5)ccc4CC)c3O2)OC)O)C)O	3991
+c12c(OC=3C1(C(=O)C(C(C)=O)=C(C=3)O)C)c(c(cc2O)OC)C(=O)NCc4c5ccccc5c(OCC#CC)cc4C	3991
+O=C1N(C(C)=C(N)C(=O)N1C)CCCC	3244
+C=1(C(=O)NC(C=1c2cc(N)ccc2)=O)c3c4ccccc4n(C)c3	0
+c1cc(ccc1NC(=O)C=2CCCC=2c3cccc(C#N)c3)N4C(=O)CCCC4	6949
+CC(C)(C)C(C)NC1=C(C(=O)C1=O)Nc2c(cc(cc2)C#N)CC	993
+c1c(I)cc(c(c1)NC=2C(=C3CCCN3C(C=2Cl)=O)C(=O)O)F	6950
+c1c(I)cc(c(c1)NC=2C(=C3CCCN3C(=O)C=2F)C(=O)O)F	6951
+C=1(C(C(=O)O)=C2N(CCC2)C(C=1F)=O)Cl	127
+c1c(C=CC(=O)C2=C(O)C=C(C)N(C2=O)C)cccc1NC(=O)OCCOC	3556
+FC=1C=CC2=NC(=C(C(N2C=1)=O)Br)C=O	3605
+C1(N(C(=O)C(=CN1COC)[N+]([O-])=O)CC(OCC)=O)=O	3560
+CC(C)(C)[Si](C)(C)OC1CC(=O)C(CC=C)=C1C	947
+n1c(C)ccc(Br)c1C#N	6952
+n1c(C)ccc(Cl)c1C#N	6953
+c12C=C(C(O)=O)CCN(c1ccc(c2)-c3cc(c(cc3)OCC)F)C=O	127
+C1(=C(CCC1)CCl)c2c(cccc2)F	6954
+c1cc(ccc1Cc2ccc(cc2)N=C3NCCN3)CS(=O)(=O)NCc4ccccc4	6955
+S=C1N(c2[nH]cnc2C(=O)N1)c3cc(CC)ccc3	2725
+N1(C(=O)N(C(=CC1=O)C)CCCC)C	2726
+C=1(N(Cc2cc(ccc2)OC)C(C(=C(O)C=1)I)=O)C	6956
+C=1(N(C(C(=C(O)C=1)Cl)=O)Cc2cc(ccc2)OC)C	6957
+C=1(NC(N(C(=O)C=1)C)=O)N	2726
+C1(C(=C(N)NC(=O)N1)N=O)=O	863
+n1c(O)cc(nc1SC)N	6958
+CCC(C=1N=C2C=CC=C(C)N2C(C=1I)=O)Br	6959
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCN(CC3)CCC4=C(N=C5N(C(=CS5)C)C4=O)C	2000
+NC1=C(N=O)C(N(C(=O)N1)C)=O	1882
+c12n(ccn1)c(Cl)nc(-c3cc(Cl)ncc3)c2	3992
+c1cc(ccc1N2C(=Nc3ccccc3C2=O)CC)F	2103
+c1c2N=C(N(C(=O)c2ccc1)c3c(OCC)cccc3)CC	2103
+C=12C(CC(CC=1NC(=C(C#N)C2c3cc(Br)c(OCc4cccc([N+]([O-])=O)c4)c(N)c3)C)CCC)=O	22
+O=S(=O)(C)Nc1c(c(Br)cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)c1)OCc4cccc([N+]([O-])=O)c4	80
+C=12C(CC(CC=1NC(=C(C#N)C2c3cc(Br)c(O)c(N)c3)C)CCC)=O	0
+c1(ccnc(O)c1C)SC	6960
+O=S(=O)(c1nc2c(cn1)C=CC(=O)N2Cc3c(cccc3)Br)C	528
+c1c(c(C(=O)OC)sc1-n2cnc3ccccc23)O	6961
+C=1C(Oc2c(ccc(c2)CCCCO)C=1)=O	213
+FC(F)(F)S(=O)(=O)Oc1cc2OC(=O)C=Cc2cc1	166
+c1cccc2[nH]cc(C=3CCN(CC=3)CCC=4C(N5C(=NC=4C)C(=CC=C5)C)=O)c12	6962
+C=1C=C(CCO)C(N(c2ccc([N+]([O-])=O)cc2OC)C=1)=O	6963
+c1cc(ccc1)[Si](c2ccccc2)(OCCC=3C(=O)N(c4ccc(cc4OC)[N+](=O)[O-])C=CC=3)C(C)(C)C	328
+[n+]1(c(cccc1)-c2nc(ccc2C)COC(C)=O)[O-]	6964
+C(C)C(CC)(C)C=1CC=CC=1	6965
+C1CCCC1c2c(cncc2)Br	191
+C=1CN(c2c(cccc2CS(=O)c3[nH]c4c(n3)cccc4)C=1C)C	172
+c1(OCCN2CC=C(c3c[nH]c4ncccc34)CC2)c5c(nccc5)ccc1	2480
+C1CN(C)CC=C1c2cnc(cc2)[N+]([O-])=O	1960
+CCC(c1ccc2c(C3C(C(OCC)=O)C3CO2)c1O)=O	6966
+C=1COc2cccc(c2C=1)C(=O)O	1
+c1(cccc2OCCCc12)C(=O)O	374
+C=1N(C(C(C(=O)O)=CC=1)=O)C	127
+c1ccccc1COc2ccc(cc2)C3=CC=CN(C)C3=O	3993
+c1cc(ccc1C(C)N2CCC(c3ccccc3)(CCc4nnc(C)o4)OC2=O)C5=CC(=O)N(C)C=C5	3994
+c1cc(ccc1C(C)N2CCC(OC2=O)(C(C)C)CCCO)C3=CC(=O)N(C)C=C3	3994
+C1=C(C(=O)OCC)C(=O)c2cc(c(F)c(F)c2N1C(C)CCl)F	221
+C=1N(C(c2c(cccc2)N=1)=O)c3c(c(ccc3)-c4cnc(c5[nH]c6c(ccc(OCC(C)O)c6)c45)C(N)=O)C	684
+C=1N(C(c2c(cccc2)N=1)=O)c3c(c(ccc3)-c4cnc(c5[nH]c6c(ccc(OCC=O)c6)c45)C(N)=O)C	24
+C=1N(C(c2c(cccc2)N=1)=O)c3c(c(ccc3)-c4cnc(c5[nH]c6c(ccc(OCCO)c6)c45)C(N)=O)C	88
+Nc1cccc2C(OC=Cc12)=O	0
+c1cnc(c2c1c([N+]([O-])=O)ccc2)O	6967
+C=1c2c(c(cc(I)c2)C(=O)O)OC(C=1)C	1
+c1c2c(c[nH]c2ccc1)CC(CO)NC(=O)c3cc(I)cc4c3OC(C=C4)C	14
+CN1c2c(C=C(C(=O)O)C1=O)cccc2	108
+CC1(C)CCOc2cc(ccc12)NC(=O)C	3995
+N1(C(=O)N(CC(=C)C)C(N)=CC1=O)C	3996
+Cc1c(C)c(c(CC(=C)C)c(C)c1)O	1625
+C(C1(C)CO1)Oc2cc(ccc2[N+]([O-])=O)F	2727
+CC1(C)Cc2c(ccc(c2O1)[N+]([O-])=O)Cl	1658
+c1cc(ccc1CN2C(CC(OC)=O)c3ccccc3C(=C)C2)C(=O)Nc4ccccc4N	6968
+CC(C)(C)OC(=O)N1CCC2(CC1)C=CC(=O)CC2	6969
+CC1(C)C=Cc2c(cc3c(nccc3C)c2)O1	3997
+COc1cc2CC(CCC(=O)C)(C(=O)c2cc1)C	2104
+C(C(c1cc(Cl)ccc1OCc2cccc(F)c2F)=O)CC(=O)C	2728
+Nc1cc2CC(CCC(=O)C)(C(c2cc1F)=O)CCCC	2104
+n1c(C2(C=CC(=O)CC2)C)c(Cl)ccc1	6970
+C(C(c1cc(c(SC)cc1)F)=O)CC(=O)C	2728
+c12c(c(c(cc1)OC)C)CC(CCC(=O)C)(C2=O)CCCC	2104
+c1c(cc(cc1)Cl)C2(c3cccc(Cl)c3)CCC(=O)C=C2	3808
+c1cc(ccc1Oc2cccc(c2)C(CCC(C)=O)=O)F	2728
+n1ccc(C)c2cc(C#N)ccc12	3997
+CC(C)(C)OC(=O)N1CCC(CC1)N(Cc2ccccc2)C(=O)C=C	404
+CC(C)(C)OC(Nc1nc(N2CCCC(NC(=O)C=C)C2)ccc1)=O	711
+C(C(N(C)Cc1c2ccccc2n(C)c1)=O)=C	404
+C(Nc1c(Cl)cc(c(OC)c1)C=O)(C=C)=O	1313
+C(Nc1cc([N+]([O-])=O)ccc1)(C=C)=O	1313
+c1cc(ccc1OCCCCOC(C=C)=O)C(O)=O	2466
+c1cc(ccc1NC(=O)C=C)Sc2nc(ncc2)Cl	1313
+CC(C)(C)OC(N1CCC2(Oc3c(C(C2)=O)cc(cc3)C=CC(=O)OC)CCC1)=O	233
+CC(C)(C)OC(N1CCC2(CC1)Oc3ccc(C=CC(=O)OC)cc3C(C2)=O)=O	233
+CC1(C)C(Cc2c(ccc(F)c2)O1)CCNCCC(=O)OC	1340
+c1(C=CC(=O)OC)ccc2nn(C)c(C)c2c1C(=O)OC	233
+c12c(C(=O)N(C1=O)c3c(cc(Cl)c(CC(C(OC)=O)Cl)c3)F)cccc2	1659
+c1c(F)c(c(cc1C=CC(=O)OC)F)C=O	233
+Nc1c(ccc(F)c1)C=CC(OC)=O	233
+C(C=Cc1ccc(N)cc1C)(OC)=O	233
+O=S(=O)(c1ccc(cc1)C=CC(=O)OC)N(Cc2ccc(cc2)OC)C	233
+C(C=Cc1cc(CO)ccc1)(OC)=O	3998
+c1c(c(c(c(NC(C)=O)c1)[N+](=O)[O-])C(=O)OC)C=CC(=O)OC	233
+c1cc(ccc1C(CC(=O)OC)C(CCC(OC)=O)[N+](=O)[O-])Cl	6971
+c1cc(ccc1C=CC(C(CCC(OC)=O)(c2ccccc2)CC=Cc3ccccc3C)=O)Cl	6972
+c1cc(ccc1CCNCCC(=O)OC)OC	1340
+c1ncncc1C=CC(=O)OC	6973
+C1(Nc2cccc(c2OC1)C(C)C=C)=O	2729
+C1(O)c2c(OC1CO)c(Cl)cc(c2)Br	2730
+FC(F)(F)c1cc(N2C(=C(C(=O)OCC=C)C(NC2=O)c3ccc(C#N)cc3S(=O)(=O)C(C)C)C)ccc1	3498
+O(CC=C)P(OCC=C)(OCc1c(cccc1C(=O)O)Cl)=O	6974
+C(Nc1sc(nn1)CC=C)(N(CCC=O)CCl)=O	1110
+n1(c2c(N(CCCC)C(NC2=O)=O)nc1Cl)CC=C	1950
+C=CCn1cnc2c1C(=O)N(C(=O)N2CCCCC)C	6975
+c12n(c(nc1N(C(=O)N(C2=O)C)CCCCC)C=O)CC=C	1378
+O=S1(=O)CCN(CC1)c2c(cccc2F)F	6976
+CC(C)(C)OC(=O)N1CC(C1)Oc2c3cc[nH]c3c(cc2)Br	1654
+CC(C)(C)OC(NC(C(=O)C=C)CC1CCCC1)=O	1152
+CC(C)(C)[Si](C)(C)Oc1cc2c(c(Br)c1)[nH]cc2	1660
+Clc1ccc(Br)c2[nH]ccc12	1660
+Clc1ccc2c(nc(C=Cc3cc(C(C=C)O)ccc3)cc2)c1	1184
+c1cccc(c1C(O)C=C)SCC#C	1184
+C=CC(c1cc(cc(Cl)c1O)Br)O	1184
+O=S(=O)(N(C)c1cccc2c1[nH]c(c2)C=3SC(CC(=O)C=C)CN=3)c4cccs4	1152
+c1c(c2[nH]ccc2cc1)CSCC	1654
+Clc1nccc2cc[nH]c12	6977
+c1cc(Br)c(F)c2[nH]ccc12	1654
+c12c(F)ccc(C)c1cc[nH]2	1660
+c1(ncc(Br)c2[nH]ccc12)Br	6978
+c1cc(ccc1OC)COc2c(Br)cc(cc2Br)C(C=C)O	1184
+c1c(F)c(F)cc2c1nc(C=Cc3cccc(C(C=C)O)c3)cc2	1184
+c1(ccc(c2[nH]ccc12)CC)Br	1660
+c1c(c2[nH]ccc2cc1F)CSC	1660
+c1cc(ccc1)C(O)(CCCl)C=C	6979
+c1cc(ccc1-c2oc3c(cc(c(c3)N(c4cc(Cl)c(C(C=C)O)cc4)S(=O)(=O)C)C5CC5)c2C(NC)=O)F	1184
+c1cc(ccc1CC=2C(N(c3n(ncn3)C=2CCC)C4CCC(CC4)OCC(C=C)=O)=O)-c5ccccc5C#N	1152
+c1cc(ccc1Sc2c(C(O)C=C)c(F)ccc2)F	1184
+c1ccccc1COc2c(F)cc(Br)c3[nH]ccc23	1654
+Clc1cccc(c1)C(O)C=C	6980
+c1c2nc(OC)c(nc2c(c(c1Cl)Cl)C=O)OC	6981
+C(NC)(=O)c1[nH]c2c(c1CC)cccc2	1661
+c1cc(ccc1Nc2nc(Cl)nc3n(C=C)cnc23)P(C)(C)=O	1185
+FC(F)(F)c1cccc(C(Nc2cc(C=Cn3cnc4c(NC)ncnc34)c(cc2)C)=O)c1	914
+C=Cn1c2c(c(NC)ncn2)nc1	516
+CC(C)(C)OC(C1C(N(C)CC2(CC2)C1)C(Nc3ccc(cc3)OCc4c5c(nc(c4)C)cccc5)=O)=O	1662
+CC(C)(C)OC(N(C(C)C)CCc1ccc(C=O)c(c1)O)=O	491
+CC(C)(C)OC(N1CC(C(O)=O)N(CC1)C)=O	3999
+CC(C)(C)OC(N1CCC(CC1)N(C)CCc2ccc(cc2)Oc3ccccc3)=O	113
+CC(C)(C)OC(=O)N1CCC(CC1)N(C)Cc2ccc(nc2)-c3ccc(cc3)S(=O)(=O)C	113
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3cc(C=O)ccc3ncc2	6982
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(O)c(cc3C(COc23)=O)Cl	1092
+CC(C)(C)OC(N1CCc2c1ccc(C(=O)OC)c2)=O	807
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC	1159
+CC(C)(C)OC(Nc1cc(NC)ccc1)=O	1159
+CC(C)(C)OC(=O)Nc1c2c(ncn1)n(-c3cccc(c3)NC)c(c2-c4ccc(cc4)Cl)Cl	1159
+CC(C)(C)OC(=O)N(C1CCC(CC1)C#CCO)C	6983
+CC(C)(C)OC(=O)N1CC(C1)N(C)C(C)(C)C(=O)N	1662
+CC(C)(C)OC(N1CCC(C(N(C)C)C1)NC(OCc2ccccc2)=O)=O	1001
+CC(C)(C)OC(=O)N1C2C(CN(C2)C)CC1	113
+CC(C)(C)OC(N1CCN(CC1)C(=O)C2N(C)CCCC2)=O	1662
+CC(C)(C)OC(N1CCc2c(CC1)c(Cl)c3N(C)CCCc3c2)=O	1353
+CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C2CCC(CC2)N(C)Cc3ccccc3)C)=O	113
+CC(C)(C)OC(NC(C)(C)Cc1cccc(C(=O)OC)c1)=O	807
+CC(C)(C)OC(NC1CCN(C)CC1OC)=O	113
+CC(C)(C)OC(=O)NCC(C1CC1)NC	1971
+CC(C)(C)OC(NCc1c(-c2ccccc2)c3cc(C(=O)OC)ccc3nc1CC(C)C)=O	807
+CC(C)(C)OC(Nc1c(cccc1F)NC)=O	1159
+CC(C)(C)OC(Nc1c2c(ncn1)n(-c3ccc(cc3)NC)nc2I)=O	1159
+CC(C)(C)[Si](C)(C)OCCOc1ccc2c(nc(cn2)-c3ccc(cc3)NC)c1	1159
+CC(C)(C)[Si](C)(C)OCCc1ccc(C=O)c(c1)O	491
+CC(C)(C)c1ccc(C(=O)OC)c(c1)Cl	4000
+CC(C)(C)c1cc(cc(C=O)c1O)CCl	915
+CC(C)(C)c1cccc(c1O)C=O	491
+CC(C)(C)n1c(NC(C(C)NC(OCc2ccccc2)=O)=O)cc(n1)C3(CCN(CC3)C)c4ccccc4	113
+CC(C)(O)C(=O)Nc1cccc2CC(N(C)C)CCc12	1001
+c1ccccc1COC(=O)NC2CCN(C2=O)C3C(CCC)CC(CC3)N(C)C(C)C	2731
+c1ccccc1COC(=O)NC2C(=O)N(CC2)C3C(CS(=O)(=O)C(C)C)CC(CC3)N(C(C)C)C	2731
+c1ccccc1COC(NC2C(=O)N(CC2)C3CCC(N(C(C)C)C)CC3C(CC)O)=O	2731
+CC(C)C1CC(C(C(C=O)=C)C)CCC1	2105
+CC(C)C(=C)C(c1cc2cc(C(=O)O)oc2c(C)c1C)=O	2105
+CC(C)c1cc2c(OCO2)cc1CCl	915
+CC(NCCc1c(CCl)cc2OCOc2c1)=O	915
+CC1(C)CN(C)C(C(O)=O)C1	3999
+CC1(C)CN(CCO)C(C(C)(C)N1C)=O	1662
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N(C)C3CCOCC3	1353
+C1(=O)N(CC)NCN1c2sc(C)nn2	2640
+FC(F)Oc1cnc(C(=O)OCC)cc1	6984
+c1(C)nc2c(NCc3c(C)cccc3CC)cc(cc2n1C)C(=O)OCC	6985
+CN(C)C1C(CN(CC1)C(=O)OCC)C	1001
+CN(C)CCNC(=O)c1c2nc3c(ccc4c(c(ccc34)O)CN(C)C)nc2ccc1	1092
+Clc1cc(cc(Cl)c1N2NC(=C3C(=O)N=C(N=C23)Cc4cc(c(cc4)CN(C)C)O)C(C)C)Cl	1092
+CN(C)Cc1c(nc2c(OCc3c(Cl)cccc3)cccn12)C	2093
+O=S(=O)(c1ccc(s1)S(=O)(=O)CCCc2cc(c(O)cc2)CN(C)C)N	1092
+CN(C)Cc1c[nH]c2c(cccc12)[N+](=O)[O-]	1015
+CN(C)CCC(c1sc(Cl)c(c1)[N+]([O-])=O)=O	1493
+CN(C)Cc1c2c(cnc(Cl)c2[nH]c1)Br	1015
+CN(C)Cc1c[nH]c2cc(ccc12)[N+](=O)[O-]	1015
+CN(C)CCC(=O)c1c2ccccc2[nH]c1-c3c(CC)noc3C	1493
+CN(C)CCC(c1cc(OC)c(OC)cc1)=O	6986
+CN(C)CCC(c1c2ccccc2n(C)c1-c3ccccc3)=O	1493
+c1cc(ccc1)C(=O)c2cc(C(=O)N3CCc4oc(cc4C3)CN(C)C)ccc2	6987
+c1cc(ccc1CC(NCC(O)c2cccc(Cl)c2)C)OCC3=CC(C(O)=C(O3)CN(C)C)=O	6988
+CN(C)CCC1CCCN(C(c2cnc(cc2)NC(c3ccccc3Cl)=O)=O)c4ccc(Cl)cc14	1001
+C1CC(CCC1)N(C2Cc3c(ccc(F)c3OC2)C(OC)=O)CCC	4000
+FC(F)(F)c1cc(ccc1)N2C(=O)N(C)C(c3ccc(C#N)cc3C(OC)=O)C(C(=O)OCC)=C2C	807
+FC(F)(F)c1cc(ccn1)N2C3=C(C(CC3)=O)C(N(C2=O)C)c4ccc(C#N)cc4C(=O)OC	807
+FC(F)(F)c1cccc(N2C(N(C)C(C=3C(NCCC2=3)=O)c4ccc(C#N)cc4C(=O)OC)=O)c1	807
+N#Cc1c(Cl)cc(cc1)-c2c(n(Cc3ccc(C(OC)=O)nc3)nc2C)C	6989
+Nc1cc(-c2ocnc2)nc(C(=O)OC)c1Cl	6990
+c1(cc(C(=O)OC)c(c(c1)F)C)-c2cc(F)ccc2	807
+CN(C)C1Cc2c(OC)cccc2CC1	1001
+CN(C)c1cc(Nc2ncnc3c2scc3)cc(OC)c1	6991
+c12cc(ccc1cncc2)C(=O)OC	807
+c1cc(ccc1C2(SC(=NC(c3ccc(cc3)F)C)NC2=O)C)C(OC)=O	807
+c1cc(ccc1Cl)CC2C(=O)N(CC3N(CC(N(C)C)C(=O)N23)S(=O)(=O)c4c(Cl)cc(cc4)Cl)C(C)C	6992
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CN(C)C	1001
+c1c(c(c(O)c(c1)C=O)F)OC	491
+C[Si](C)(C)CCOCn1c2c(c3c1cnc(C#N)c3)c(OCC4CCCCN4C)ccn2	113
+O=Cc1c(c(ccc1C)Br)O	491
+ClCc1cc(c(F)cc1OC)F	915
+c1cccc2nn(nc12)-c3c(O)c(cc(C)c3)CCl	915
+c1ccccc1Cc2c3ccccc3ccc2CCl	915
+c1(C=O)ccc(c(c1)CCl)O	915
+C(c1ccc(c(CCl)c1)O)C(=O)O	915
+c1c2c(cc(CCl)c1)CCC2	915
+ClC(Cl)(F)Sc1c2ccccc2n(CO)c1	6993
+O=S(=O)(c1c(Cl)cc(NCc2occc2)c(C(OCCCOC(=O)CCC(OCCl)=O)=O)c1)N	6994
+Clc1ccc(c(c1)O)C2(CO)C(=O)N(c3ccccc23)CC(=O)OC	2732
+Clc1ccc(CCO)c([N+]([O-])=O)c1	4001
+FC(F)(F)C(O)C1=CC(=O)C(O)=C(N1C)CO	6995
+FC(F)(F)C(=O)N1CCc2c(Br)cccc2C1	6996
+FC(F)(F)C(=O)Nc1ccc(cc1Cl)N(Cc2ccc(Cl)s2)C	1353
+FC(F)(F)C1c2cccc3CNCC(N(c23)CC1)C	1603
+FC(F)(F)c1ccccc1CCC2CN(CCN2C)C3=Nc4ccccc4Nc5sc(C)cc35	113
+FC(F)(F)c1cc(ccc1)N2CCN(CC2)Cc3cc(-c4ccc(cc4)Cl)n(-c5ccc(cc5)Cl)c3C	1015
+FC(F)(F)c1c(CN(C2CCN(CC2)c3c4c(c(-c5ccnn5C)nn3)cccc4)C)ccc(F)c1	113
+FC(F)(F)c1ccc(cc1)-c2n(C)c(c(CO)n2)C	4002
+FC(F)(F)c1ccc(cc1)CCC2N(CCN(C2)C3=Nc4ccccc4Nc5sc(C)cc35)C	113
+FC(F)(F)c1ccc(cc1)CN(C)c2cc(C)c(c(C)c2)NC(CC3CCCC3)=O	1353
+FC(F)(F)c1cc(c(O)cc1)C=O	491
+FC(F)(F)c1cc(c(cc1)O)CO	6997
+FC(F)(F)c1ccc(CN2c3cccc(c3C(C2=O)(c4nc(OC)ccc4O)CO)Br)o1	4003
+FC(F)(F)c1ccccc1-c2nc(O)c3c(ccc(N4C(=O)CN(C4)CCO)c3)c2	6998
+FC(F)(F)c1cnc(nc1CCc2ccc(F)cc2CC(=O)N)Nc3ccc(cc3)C4CCN(CC4)C	113
+FC(F)(F)c1c(cn(n1)CO)Br	6999
+FC(F)(F)c1nc(NC(Nc2c3cc(ccc3ncc2)C=4CCN(CC=4)C)=O)ccc1	1960
+FC(F)(F)c1oc(CN2C(C(c3ccccc23)(CO)c4nc5OCOc5cc4O)=O)cc1	4003
+FC(F)Cn1c(CO)ncn1	7000
+FC1(F)C(C2CCN3CCNCc4c3c2ccc4)C1	1603
+Fc1cc2c(Nc3c(C(N4CC(CCOC)N(CC4)C)=N2)ccs3)cc1F	113
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4ccc(cc4)N(C)C)O	1186
+c1cc(ccc1-c2cc3c(cc(OCCOCCOCCF)cc3)cc2)N(C)C	1186
+CN(C)c1ccc(cc1)C=2Oc3c(C(=O)C=2)cc(cc3)OC	1186
+CN(C)c1ccc(cc1)C=2Oc3c(cc(cc3)Br)C(=O)C=2	1186
+c1cc(ccc1C=Cc2ccc(nc2)OCCOCCOCCO)N(C)C	1186
+c1cc(ccc1-c2cc3c(cc(cc3)N(C)C)cc2)OCCOCCOCCF	1186
+C1CN(CCC1N2c3c(C=CC2=O)ccc(c3)N(C)C)Cc4ccccc4	1186
+CN(C)c1cccc(OC(C(OC)=O)C)c1C	7001
+CN(C)c1c(C)cccc1Br	2106
+c1cc(ccc1)C(c2c(N(C)C)c(CC(=O)OC)ccc2)=O	2106
+c1cc(ccc1)COc2cc3CCC4C(CCC5(C)C(CCC45)=O)c3cc2N(C)C	2106
+c1ccccc1COc2c(c3CCC4C5CCC(C5(CCC4c3cc2)C)=O)N(C)C	2106
+C(N(C)C1c2c(CCC1)cccn2)c3nc4cccc(F)n4c3	113
+C1C(F)C(c2c3cc([N+]([O-])=O)ccc3[nH]c2)=CCN1C	1960
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)N3CC(C)N(CC3)C)Br	113
+CN1c2nc3c(cc2C(C(C(=O)O)=C1)=O)cc(c(N4CC(C)N(CC4)C)c3)F	113
+C(=O)c1c(O)cc(OC)cc1OC	491
+C1C(CC(N1C)C(=O)N)O	1662
+c1(c(cc2c(c1)C(=O)C(=CN2CC)C(O)=O)N3CC(N(C)CC3)COCCCCCCCCCCCC)F	113
+O=S(=O)(C(c1cnc(C(NCO)=O)cc1C)c2cc(F)ccc2F)c3ccc(cc3)F	7002
+O=S(=O)(Cc1ccc2c(c1)C3=CN(C(c4[nH]c(C(=O)OCC)c(c34)CN2c5ccc(cc5)Cl)=O)C)C	7003
+O=S(=O)(C)c1nnc(N2C(=O)N(NC2)CCCC)s1	2640
+O=S(=O)(c1ccccc1)NCC=2OC(=C(C(C=2)=O)O)CO	7004
+c1ccccc1N2CC(=O)N(c3cc(Cl)c(S(=O)(=O)N)cc3)C2	2733
+O=S(=O)(c1cc(C)c(cc1)N2CN(c3ccccc3)CC2=O)N	2733
+O=S(=O)(c1cccc2ccccc12)c3n[nH]c4ccc(OC5CCN(C)C5)cc34	113
+O=S(=O)(n1cc2c3c1cccc3CN(C)CC2)c4ccccc4	113
+c1(ccc(CO)nc1Cl)O	7005
+c1c(I)cc(c(c1)C=O)O	491
+c12cc(cc(c1CNCC2)Br)OC	1603
+CN1CC(N(CC1C)c2ccc([N+]([O-])=O)cc2F)C	113
+O=C(C(=C)CCCl)c1c(Cl)c(Cl)c(OC)cc1	2105
+O=Cc1ccc2CCCc2c1O	491
+c12c(CN(C)C1)c(N3CCOCC3C)nc(Cl)n2	113
+C1CN(CCN1Cc2c3c(Cl)cccc3[nH]c2)C(c4c(cccc4)Cl)c5ccc(cc5)Cl	1015
+C1CN(CC1c2nnc3n2cc(cc3)F)C	113
+O=Cc1c(C)cc(C)cc1O	491
+c1c(c(c2CCN(Cc2c1)C=O)C)OC	7006
+c1cc(CCO)c(cc1F)[N+]([O-])=O	4001
+c1c(cc2n(c3c(CCN(C)C3)c2c1)C)Br	113
+Oc1c(cc(F)cc1)C2(C(N(CCCCC)c3ccccc23)=O)CO	2732
+N1(c2ccc([N+]([O-])=O)cc2OCC1)C	1353
+c1ccccc1-c2cccc(c2O)C=O	491
+c1cc(ccc1)-c2[nH]c3c(c2C4CCN(CC4)C)cccc3	113
+c1cc(ccc1)-c2n3CCCN(Cc3c(C(OCC)=O)n2)C	113
+c1ccccc1C(c2ccccc2)N3c4c(C(CO)(C3=O)c5c(O)cc6c(OCO6)c5)cc(cc4)C	2732
+c1ccccc1C(=C)C(CCCCC)=O	7007
+c1ccccc1CCCN(Cc2cccc(-c3ccc(nc3)C#N)c2)C	113
+c1cc(ccc1)COC(=O)NC2CCCCC2CN(C3CCc4cc(ccc4C3)F)C	113
+c1cc(ccc1)S(=O)(=O)Nc2c3c(cn(c3ncc2)C4CN(C4)C)-c5cc6c(CCN6C)cc5F	113
+c1cc(ccc1C(C#N)(C)CO)Br	4004
+c1cc(ccc1C#CC#CCO)C(=O)NC(C(NC)C)C(NO)=O	1971
+c1cc(ccc1C#N)-c2nnn(Cc3cc(C(=O)Nc4sc5CC(CCc5n4)N(CCOC)C)ccc3)c2	113
+c1cc(ccc1C#N)Sc2cc(C=O)c(O)cc2	491
+CC(C)(c1ccc(O)c(c1)C=O)C(OC)=O	491
+O(C)CC(COC)(C(OC)=O)c1ccc(O)c(C=O)c1	491
+c1cc(ccc1N2CC(N(C)CC2)C)C(OC)=O	113
+c1cc(ccc1C)-c2c(cccc2)C(Nc3ccc(cc3)C(N(c4c(cccc4)CN(C)C)C)=O)=O	113
+c1cc(ccc1C(O)C#CCN2CCC(CC2)(c3ccc(cc3)Cl)O)F	1469
+O=S(=O)(c1ccc(cc1)CN(Cc2ncc[nH]2)Cc3nccn3C)NCCCCN(C)C4CCCCC4	113
+c1cc(ccc1Cl)NS(=O)(=O)c2ccc(OC)c3CC(N(C)C)COc23	113
+c1cc(ccc1Cl)OC=2C=CC(N(N=2)CO)=O	7008
+c1cc(ccc1Cn2c3ccccc3c4C(C(=C)CCc24)=O)C(OC)=O	2105
+c1cc(ccc1F)-c2[nH]c(nc2CO)CCCC	4002
+c1cc(ccc1F)C(C#N)(CO)CCCCC	4004
+O=C(OCC)C(C(=O)OCC)(C)c1ccc(cc1)N2CCN(CC2)C	113
+c1cc(ccc1CC(C(OCC)=O)(C(OCC)=O)C)N2CCN(CC2)C	113
+O=S(=O)(c1cc(Cl)c(N2CN(CC2=O)c3ccc(cc3)Cl)cc1)N	2733
+c1cc(c(C=O)cc1C2CCOC2=O)O	491
+c1cc(ccc1[N+](=O)[O-])N2CCC3C2CCN3C	113
+c1cc(ncc1Br)C(C2CN(CC2)C)=O	113
+N1Cc2ccc(OCC)cc2CC1	1603
+c1cc(ccc1)C(=O)c2cc(Br)ccc2-n3ccnc3CO	7009
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CC(CCOC)N(CC4)C	113
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCNC(CCCCCN(CCNC(=O)OC(C)(C)C)C)=O	113
+c1ccccc1C=2c3c(-n4c(CCO)nnc4CN=2)ccc(F)c3	7010
+c1cc(ccc1)CN(CCCCCCCCCCCC)C	113
+C1CC(CCN1C)c2c(OC)cc(NC(OCc3ccccc3)=O)cc2	113
+CN(C)Cc1cccc(c1)CCNC2=NC(=C(N(C2=O)CC(OCc3ccccc3)=O)C)Cl	7011
+c1ccccc1COC(N2C(CN(CC2)C)C(N(C)OC)=O)=O	113
+c1ccccc1COC(NC2CCN(C3CCC(N(Cc4ccc(cc4)OC)C)CC3NC(C)=O)C2=O)=O	113
+c1ccccc1COC(NC2CCN(C3C(NC(C)=O)CC(CC3)N(C(C)C)C)C2=O)=O	113
+C1CCCN(c2oc3c(C)cc(C)cc3n2)CCN1C	113
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)OC	1187
+CC(C)(C)OC(=O)NC1(C(OC)=O)CCCC1OCc2ccccc2	1187
+CC(C)(C)OC(=O)N1CCC2(CC2)CC1C(=O)OC	7012
+CC1(C)c2cc(cc(C3CC3)c2OC4(CC4)C1)Br	3365
+FC(F)(F)C1CCC(CC1)C(CCl)=O	7013
+c1cc(ccc1)COC(n2c3ccccc3c(CC(CCl)=O)c2)=O	7014
+FC(F)(F)C(C(OC)=O)(C)O	1187
+c12c(cc(cc1cccc2)Br)C(OC)=O	1343
+O=S(=O)(c1c(cc(c(C(OC)=O)c1)OCC)OC)Cl	1343
+Clc1cc(cc(C)c1C(=O)OC)Br	1343
+c1(c(Cl)c(Cl)nc(n1)-c2c(c(OC)c(Cl)cc2)F)C(=O)OC	1343
+c1cc(cc(c1OC)F)C2C(CC(OC)=O)C2	1187
+c1cc(ccc1)COc2cc(F)cc(c2)C(C(=O)OC)(CC)O	1187
+c1cc(ccc1[N+]([O-])=O)CC(C(=O)OC)NC(C)=O	1187
+c1cc(ccc1F)C(=O)c2c(nccc2)C(=O)OC	1343
+O=C1c2c(C(=O)N1C(CC(C=[N+]=[N-])=O)(C(OC)=O)CF)cccc2	7015
+c1ccccc1C(C(=O)OC)C2CCN(CC2)C(OCc3ccccc3)=O	1187
+c1(c2c(NC(=C(C(=O)C)C2c3ccc(cc3CC)C#N)C)ccn1)O	7016
+O=S(=O)(Oc1c(cc(c(-n2c(c(c(C)n2)C)C)c1)F)Cl)C	7017
+c1cc(ccc1Cl)Nc2nc(-n3c(C)c(C)c(n3)C)nc4n(C)cnc24	7018
+FC(F)(F)c1ccc(cc1)Nc2nc(-n3nc(cc3C)C)nc4n(cnc24)C	2723
+c1(nc2c(c(C)c1)C(N(C(=O)N2C)CCCCC(OC(C)=O)C)=O)C	7019
+CC(=O)C(C(C)=O)=Cc1ccc(C#N)cc1CC	7020
+O=S(=O)(C)Oc1c(Cl)cc(F)c(-n2nc(cc2C)C)c1	2734
+S=C1NN2C(=CC(C)=NC2=N1)C	7021
+c1(C)nc2c(ccc(n2)N)c(C)c1	7022
+c1ccccc1-c2c3c(nc(C)c2C(C)=O)sc4c3cccc4	7023
+c1ccccc1-c2sc3nc(c(C(=O)C)c(-c4ccccc4)c3c2)C	4005
+c1cc(ccc1)Nc2c(c3c(cc2C(=O)OC)[nH]c(n3)C)F	7024
+c1cc(ccc1Br)CCC(=O)C	7025
+c1cc(ccc1-n2nc(cc2C)C)Br	2734
+c1cc(ccc1Cl)Nc2c3c(n(cn3)CCOCC)nc(-n4c(cc(n4)C)C)n2	2723
+c1cc(ccc1F)-c2c(C(C)=O)c(C)nc3ccc(Br)cc23	7026
+CC(=O)CCCCCCCC(=O)OC	27
+C(CCC(O)C)CCCCC(OC)=O	100
+CC(=O)N1Cc2ccccc2S(CC1)=O	357
+CC(C)(C)OC(=O)N(C(C)Cc1cc2CCN(C(=O)C)c2c(C#N)c1)CCOc3c(cccc3)OCC	23
+C(CCC(C)NCC)CCC	15
+c1c(cc(c(c1)C(=O)NNC(CNC(C)=O)=O)OC)Br	708
+c1cc(ccc1C=2C=CC(N(N=2)Cc3cc(NC(OCC)=O)ccc3)=O)CNC(CNC(C)=O)=O	9
+c1(C=O)cc2c(occ2CCNC(C)=O)cc1	674
+O=C(c1cc(c(c2c1OCO2)NC(C)=O)Cl)O	1
+c1cc(ccc1OC(C(O)CCc2cnccc2)C)-c3c(C)cc(cc3)NC(=O)C	11
+c1cc(ccc1)C2(NC(N(CC(=O)c3ccc(NC(C)=O)cc3F)C2=O)=O)CCC	7027
+c1(cc(c(O)cc1NC(C)=O)C(=O)O)[N+]([O-])=O	31
+C(C)OC(c1c(ccc(c1)NC(C)=O)Br)=O	47
+c1(NC(C)=O)c(c(c(cc1)Br)C(=O)O)[N+]([O-])=O	31
+c1cc(ccc1C)C(c2c(C)c3c(cc(cc3)NC(C)=O)o2)=O	7028
+c1(cc(NC(C)=O)ccc1OC)C(=O)C	65
+c12c(cc(C(=O)O)cc1)ncn2-c3cc(ccc3)NC(C)=O	7029
+C(SCc1cccc(NC(C)=O)c1)C	639
+C(OC(COc1cccc(NC(C)=O)c1)=O)C	52
+CC(C)(C)OC(=O)NNC(OCCc1ccc(cc1)NC(=O)c2csc(NC(C)=O)n2)=O	2015
+CC(C)(C)C(C)NC=1C(=O)C(=O)C=1N(c2ccc(cc2CC)C#N)C(=O)C	7030
+CC(C)(C)C(=O)Nc1ccc(Cl)cc1C2Cc3c(cccc3)N2C(=O)C	808
+CC(C)(C)CCC(=O)N1CCN(CC1)c2nccc(-c3noc(C)n3)c2	4006
+CC(C)(C)CCNC(Nc1c(F)cc(C)c(-c2c(nc3nc(NC(C)=O)ncc3c2)C)c1)=O	4007
+CC(C)(C)OC(=O)C1N(CCCCC1COC(C)=O)S(=O)(=O)c2ccc(cc2)OC	152
+CC(C)(C)OC(=O)COc1c(C(OC)=O)sc2c1cc(cn2)NC(C)=O	2107
+CC(C)(C)OC(N1CC(N(C2CCC(C)(C)CC2)C(C)=O)CC1C(OC)=O)=O	319
+c1cc(ccc1C)CC2(CO)CN(CCC2)C(=O)C	1663
+CC(C)(C)OC(=O)N1CCC(CC1)CN(Cc2ccc(cc2)Cl)C(C)=O	319
+C1CN(CCN1C(=O)C)c2ccc(nc2)CCc3ccc(cc3)CO	1663
+CC(C)(C)OC(=O)N1Cc2c(CC1)c(C#N)c(NC(C)=O)s2	2735
+CC(C)(C)OC(NC(CC)(COC(C)=O)CCc1ccc(cc1)OCc2ccccc2)=O	152
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2csc(NC(C)=O)n2	1973
+CC(C)(C)OC(=O)N1CCC(CC1)(NC(=O)C)Cc2ccccc2C	206
+c1cc(ccc1[N+]([O-])=O)CC(NC(=O)C)C2CN(C(=O)O2)C3(CC3)c4cccc(c4)C(C)C	1663
+CC(C)(C)OC(=O)NC1(C(OC(=O)C)CCC1)CNc2c(c(c(cc2)C#N)Cl)C	152
+c1(N2CC(CNC(C)=O)OC2=O)ccc(-c3scc(n3)Cn4ccnc4)c(F)c1	1663
+CC(C)(C)OC(NCCC1CCC(CC1)COC(C)=O)=O	152
+C1CC(CCN1C(c2cc3c(cc2)n(cc3)CCNC(=O)C)=O)Oc4ccc(cc4)Cl	1663
+CC(C)(C)OC(=O)Nc1c(COC(=O)C)[n+](c(Cl)cc1)[O-]	983
+CC(C)(C)OC(Nc1cc(Cl)c(c(Cl)c1)OCCOC(=O)C)=O	152
+CC(C)(C)[Si](C)(C)OCC1CC(CC1OC(=O)C)n2ccc3c(ncnc23)NC4c5ccccc5CC4	152
+CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(N)ncnc23)C(C1)OC(C)=O	152
+CC(C)(C)[Si](C)(C)OCCCOc1ccc(Cc2c(C)nc(nc2NC(CCC)CCOC(=O)C)N)c(OC)c1	152
+CC(C)(C)c1cc(cc(C(C)(C)C)c1OC(C)=O)OC	225
+CC(C)(C)c1cc2c(C(=O)N(c3nccc(Cl)c3COC(C)=O)N=C2)c(F)c1	152
+CC(C)(F)Cn1c(nc2cnc3cccnc3c12)COC(C)=O	152
+CC(C)(O)Cn1c(nc2cnc3c(ccc(OCc4ccccc4)c3)c12)COC(C)=O	152
+CC(C)(Cc1c2c([nH]c1)cc(cc2)C)NC(=O)C	206
+CC(C)(O)c1ccc2c(CCN(C2=O)c3cccc(Br)c3COC(=O)C)c1	152
+CC(C)C(NC(=O)C1N(CCCC1)C)C(=O)N(C(C(C)C)CC(OC(=O)C)c2nc(C(O)=O)cs2)CCC	152
+CC(C)CC1(COc2ccc(cc2)[N+](=O)[O-])Oc3c(c(C)c(OC(C)=O)c(C)c3C(=O)C1)C	225
+O1CCOC1c2ccc(cc2)Oc3cc4cnn(c4cc3)C(=O)C	7031
+CC(C)Cn1c(nc2c1c3c(cccc3)nc2N)CNC(C)=O	206
+CC(C)N(c1c(C(=O)OC)sc(-c2ccccc2)c1)C(C3CCC(CC3NC(=O)C)C)=O	7032
+CC(C)N1C(=O)C(CC)(CC)c2cc(NC(C)=O)ccc12	125
+CC(C)Oc1cc(c2c(c(OC(=O)C)[n+]([O-])cc2)c1C)Br	7033
+CC1(C)C(C)(C)OB(O1)c2ccc3c4cnn(C(=O)C)c4ncc3c2	7034
+CC1(C)C(OC(=O)C)CCC2(C1CCC3(C2CCC4C5C(CCC34C)(C(=O)O)CCC5C(C)=C)C)C	152
+CC1(C)CCC(c2c1ccc(c2)Br)(CC(=O)OCC)OC(C)=O	152
+CC1(C)c2ccc(Br)cc2C(=O)CC1	7035
+CC1(C)CN(c2ccc(cc12)Br)C(C)=O	808
+CC1(C)Cc2c(c(OC(C)=O)ccc2)O1	225
+CC1(C)CCCc2cc(C(C)OC(C)=O)c(c(Br)c12)OC	152
+O(C(=O)C)c1c2c(c(C#N)nc1C(=O)OCC)n(cc2)Cc3ccc(F)c(F)c3	4008
+c1ccccc1C(=C2c3cc(C(CCC)=O)ccc3N(C(C)=O)C2=O)OCC	7036
+C(C)OC(=O)c1cnc(s1)NC(C)=O	1973
+c1(NC(=O)C)c(Cl)cc(F)c(OCC)c1Br	125
+CN(C)CC1Cc2c(NC1)cc(cc2)NC(=O)C	125
+C(c1c(C(=O)O)[nH]c2cc(c(OC)cc12)F)CNC(C)=O	206
+COc1cc([N+]([O-])=O)cc(c1NC(C)=O)Br	125
+COc1c(NC(C)=O)c(cc(c1)Br)[N+]([O-])=O	125
+COc1cccc(CCNC(C)=O)c1	206
+Cc1c(ccc([N+]([O-])=O)n1)OC(C)=O	4008
+Cc1cc(cc(C)c1OC)NC(=O)C	125
+Clc1cc(OC(C)=O)ccc1C	225
+Clc1cc(NC(C)=O)cc(C)c1	125
+Clc1cc(F)c(NC(C)=O)cc1	125
+Clc1cc(ccc1)Nc2nccc(-c3cccnc3NCCCNC(C)=O)n2	206
+Clc1cc2CC(=O)N(C(=O)C)c2cc1	1948
+Clc1ccc(OC(C)=O)c(Cc2ccc(C(=O)O)o2)c1	225
+FC(F)(F)C(N(C1c2c(c(ccc2)-n3c4c(ccc(c4)F)nc3C)CC1)c5cc6OCC(CC(OC)=O)c6cc5)=O	7037
+FC(F)(F)Oc1cc2c([NH+]([O-])C(C=C2)=O)cc1	4009
+FC(F)(F)c1cc(cc(COC(=O)C)[n+]1[O-])CC	983
+FC(F)(F)c1[n+]([O-])c(c(CN2C(=O)N3C(C(c4ccncc4)=C(c5ccc(cc5)Cl)C=C3)=N2)cc1)COC(C)=O	983
+FC(F)(F)c1c(O)cc2c(N(CC2)C(C)=O)c1	808
+FC(F)(F)c1c(F)c(F)c(c(F)c1F)-n2nccc2NC(C)=O	533
+FC(F)(F)c1cc(ccc1NC(=O)C)Cl	125
+FC(F)(F)c1cc2ncn(-c3ccccc3)c2c(-c4cc(ccc4)NC(C)=O)c1	125
+FC(F)(F)c1cc(F)ccc1NC(=O)C	125
+FC(F)(F)c1cc(ccc1)N2C(=C(c3noc(C)n3)C=C(C(=O)NCc4ccc(cc4)S(=O)(=O)C)C2=O)C	7038
+FC(F)(F)c1cc(c(c(Cl)c1)-n2c(NC(=O)C)ccn2)F	533
+FC(F)(F)c1cc(NC(=O)C)cc(Br)c1	125
+FC(F)(F)c1ccc(cc1)C2C=CC=[N+]([O-])C2=O	4010
+FC(F)(F)c1ccc(cc1)CCNC(C)=O	206
+FC(F)(F)c1cn2c(cc1)c(C(=O)C)c(-c3ccc(cc3)F)n2	2108
+FC(F)(F)c1cccc(c1C)Cc2c3nc(cc(NC(C)=O)n3nc2C)N4CCOCC4	533
+FC(F)(F)c1cccc2c1nc(C(CC)NC(C)=O)c(C(Nc3nccs3)=O)c2O	206
+FC(F)(F)c1cnc(Nc2cn(nc2)C3CCN(CC3)C(C)=O)nc1CCc4c(C(C(=O)N)C)cccc4	319
+c1(-c2noc(n2)C)cc(C(=O)O)ccc1	4006
+N(C)C(COc1cc(C#N)ccc1CNC(=O)c2cc(NC(C)=O)c(c(Cl)c2)F)=O	125
+c1(C)c(cc(cc1)F)NC(C)=O	125
+c12c(ncnc1cc(c([N+]([O-])=O)c2)NC(C)=O)O	125
+CC(Nc1cccc2c1cc(cc2)O)=O	125
+CC(=O)Nc1cc(O)c(cc1)C(=O)O	125
+[N+](c1cc(cc(Br)c1)NC(C)=O)([O-])=O	125
+c1c(NC(C)=O)ccc(C)c1Cl	125
+c1(c(CC)c(ccc1NC(C)=O)Br)C	125
+CC(Nc1cccc(c1C)F)=O	125
+[nH]1nc(cc1)NC(=O)C	533
+Brc1ccnc(NC(=O)C)c1	533
+O(C)c1c(c(c(OC)c(OC)c1OC)C)Cc2cccc(c2OC(C)=O)C(=O)O	225
+c1cc2ccc(OCOC)c(C#N)c2nc1COC(=O)C	152
+O1CCOC1(CCOc2c(C)c([n+](cc2)[O-])COC(C)=O)CCC	983
+O1CCc2c3n(ncc3CCNC(=O)C)ccc12	206
+Clc1cccc(CCC(=O)C(C(OCC)=O)NC(C)=O)c1	7039
+O=C(c1ccc(c(Cl)c1)Cl)NC2c3c(CCC2OC(=O)C)ccc([N+]([O-])=O)c3	152
+O=Cc1c(OC(=O)C)cc2CCC3C4CCC(=O)C4(CCC3c2c1)C	225
+O=S(=O)(c1nc2CCN(C(C)=O)Cc2c(n1)-c3c(Cl)cc(Cl)cc3)C	319
+O=S(=O)(c1c(C(=O)OC)cccc1)NC(=O)Nc2nc(C)cc(COC(C)=O)n2	152
+O=S(=O)(c1ccc(cc1)C)n2cc(C(C)=O)cc2	7040
+C1(CCCC(=O)Nc2c1cccc2)OC(=O)C	152
+c1(c2c(cccc2)c(N)cc1[N+](=O)[O-])CCOC(=O)C	152
+Oc1c2c(nc(-c3cc(ccc3)OC(=O)C)n1)cccc2	225
+C(=O)(C)Sc1c(cccc1C)C(=O)O	7041
+n1(ccnc1)-c2cc([N+]([O-])=O)c(NC(C)=O)c(C)c2	4011
+CC(Nc1c(ccc2CCCCc12)[N+]([O-])=O)=O	4011
+COc1ccc(COC(C)=O)[n+](c1)[O-]	983
+c1(-c2nc3c(c(n2)O)cc(OC(C)=O)c(OC)c3)cc([N+]([O-])=O)ccc1	225
+c1(OC(C)=O)cc(C)cc(c1C)C(=O)O	225
+c1(I)c(F)cc(NC(C)=O)c(C)c1	125
+c1(C)c(NNC(=O)C)ncc(c1)[N+](=O)[O-]	7042
+c1(C)c(F)ccc(NC(C)=O)c1	125
+c1(C)cc(NC(=O)C)ncc1[N+](=O)[O-]	533
+Cc1cc(cc(C)c1)NC(=O)C	125
+Cc1cc(cc(C)c1-n2c(NC(=O)C)c(C#N)c(C)c2)C	533
+c1(CCNC(=O)C)cc(C)cs1	206
+C(C)(c1cc2c(c(c(Cl)c(OC)c2)Cl)s1)=O	7043
+c1(Cl)cncc(Cl)c1CSc2nc(cc(C)n2)NC(C)=O	533
+c1(F)cc(cc(F)c1-c2cnccc2)N3C(OC(CNC(=O)C)C3)=O	206
+c1ccc(NC(=O)C)cc1-c2ccnc(n2)NCCc3ccc(c(OC)c3)OC	125
+s1c2c(nc1C=CC=Cc3ccc(nc3)NC(=O)C)cc(c(OC)c2)OC	533
+c1c(c(c2cc(C(=O)OC)[nH]c2c1)OC(C)=O)OC	225
+O(C(C)=O)c1cc([N+]([O-])=O)ccc1C	225
+O(C(C)=O)CCc1cccc([N+]([O-])=O)c1	152
+c1([n+](c(ccc1)Cl)[O-])COC(C)=O	983
+O(C)c1cc2CCC(c3c(NC(C)=O)cc(cc3)OC)Cc2cc1	125
+c1(c(F)ccc(c1)NC(C)=O)[N+]([O-])=O	125
+Fc1c(F)cc(c(c1)NC(=O)C)CCCC(=O)O	3406
+CCCOC=1C=C[NH+]([O-])C(C=1C)=O	7044
+C(c1cn(c2ccc([N+]([O-])=O)cc12)C(=O)C)c3c(cc(C(=O)O)cc3)OC	7045
+CCN(c1cc(Cl)c(F)cc1)C(C)=O	808
+c1(cc(F)ccc1Oc2c(ccc3c2C=CC([NH+]3[O-])=O)OC)F	4009
+c1c(C)c(c(cc1OC(=O)C)C)Br	225
+c1(cc(ccc1)Nc2c3c(cc(NC(C)=O)nc3)ncn2)Br	533
+c12c3c(C(N(C(=O)c3cc(C(O)=O)c1)CCCC(O)=O)=O)cc(NC(=O)C)c2	125
+COc1cc2C(N(C3=CC4=CCC([N+]([O-])=C4C=C3)=O)Cc2cc1)=O	7046
+c1(cc(ccc1)NC(C)=O)Br	125
+n1(-c2cc3CC(C#N)Cc3cc2)c(C)nc4cnccc14	4012
+c1(ccsc1CNC(=O)C)C	206
+c1(ccsc1COC(=O)C)C	152
+N(c1ncc2cc(c(OC)cc2n1)Br)C(C)=O	4007
+c1-2[nH]c3ccccc3c1Cc4cc(ccc-24)N(C(=O)C)CC	808
+O(CCN1C(c2c(C=C1)c([N+]([O-])=O)c(Cl)cc2)=O)C(C)=O	152
+c12c(CCC1)cccc2NC(C)=O	125
+CC(N1CCc2c(cccc2Cl)CC1)=O	319
+c12c(-c3c(cccc3)C1)ccc(CCC(OC(=O)C)C)c2	152
+c1cc(ccc1C(NC2Cc3ccc(C(C)=O)cc3C2)=O)F	2109
+c12c(c(F)cc(F)c1OC(c3cc(F)c(cc3)NC(C)=O)=CC2=O)N	125
+c12c(ccc(N)c1OC)CCC2=CCNC(C)=O	7047
+c12c(cccc1)C(=O)N(C2=O)CCCCC(OC(=O)C)c3ccccc3	152
+c12c(CCN(C1)C(=O)C)cccc2Cl	319
+O(c1c(OC)cc2c(c(ncn2)O)c1)C(C)=O	225
+c1[nH]c2c(c1CCNC(C)=O)cc([N+]([O-])=O)cc2	206
+c1[nH]c2c(ccc(C)c2)c1CNC(C)=O	206
+c1c(C)c(c(cc1-c2nc3ccc(cc3c(O)n2)NC(C)=O)C)O	125
+c1c(Cl)c2ccc(cc2c(c1Cl)N)OC(=O)C	225
+c1c(I)cc(Cl)c(NC(C)=O)c1	125
+c1(cc(ccc1)NC(C)=O)-c2nnc(O)cc2	125
+CC(=O)Nc1cccc(c1)-c2sc(nc2C(=O)OC)C	125
+c1cc(cc(OC(C)=O)c1OC)C(=O)O	225
+c1c(OC)cc(cc1NC(NC(CCN2CC(C2)Oc3ccc(cc3)Cl)COC(=O)C)=O)OC	152
+c1c([N+]([O-])=O)cc([N+]([O-])=O)c(Sc2ccccc2NC(C)=O)c1	125
+c1c([N+]([O-])=O)cc(cc1NC(C)=O)[N+]([O-])=O	125
+C(C)OC(c1cc2CCCCC(OC(C)=O)c2[n+]([O-])c1C)=O	4013
+CC(Nc1c(SC)c2ccccc2nc1)=O	2107
+c1(c(c(c2c(OC(c3cc(F)c(cc3)NC(C)=O)=CC2=O)c1F)N)F)C	125
+c1cc(cc(c1OC(C)=O)OC)CC=C	225
+c1c(ccc2c1CC(=O)N2C(=O)C)C(=O)C	1948
+CC(=O)N1CCSc2ccccc2C1	319
+CC(n1c2ccc(cc2c3c1cccc3)Br)=O	4014
+c1c2nc(cc(Cl)c2ccc1OC)COC(C)=O	152
+C1(c2[n+](cccc2CCCC1)[O-])OC(C)=O	4013
+Clc1cc(c(C2=CC=[N+](C(C2)=O)[O-])cc1)OC	7048
+c1cc(ccc1C=2C=C[NH+]([O-])C(=O)C=2)Cl	7049
+O(C=1C=C[NH+]([O-])C(C=1)=O)C	4015
+c1(cccc2CCCCCc12)NC(C)=O	125
+c1(c(OC(C)=O)c(ccc1C=O)OC)Cl	225
+c1cc(cc([N+]([O-])=O)c1OCCCNC(C)=O)F	206
+c1cc(ccc1)-c2c(cc(cc2)-c3nc4cc(c(OC(C)=O)cc4c(O)n3)OC)F	225
+C1=CC(C=CC1)(c2ccccc2)CC(C)N(C(C)=O)CC	319
+c1ccccc1C23CC2CN(C3)C(C)=O	319
+c1cc(ccc1)C=2CCN(C(C)=O)CC=2CO	7050
+c1ccccc1C2CCCCC2OC(=O)C	152
+c1cc(ccc1C(C)=O)CC	2109
+c1ccccc1CC(C)NC(=O)C	206
+c1cc(ccc1)CCC(NC(C(=O)C)CC(=O)OC)=O	7051
+c1cc(ccc1)CN2CC(CCOC(C)=O)OCC2	152
+c1cc(ccc1)CN2CC(N(CC2)C(=O)C)C	319
+c1cc(ccc1)CNC(=O)C(NC(=O)C)COC	4016
+FC(F)OCC(C(=O)NCc1ccccc1)NC(=O)C	4016
+c1cc(ccc1)N2N3CCCC3=C(C2=O)C(=O)Nc4ccc(cn4)Oc5ccnc(NC(=O)C)c5	533
+c1ccccc1N(C(C)=O)c2ccnc3ccccc23	7052
+c1cc(ccc1C(=O)C)OC(C)C(=O)OC	2109
+c1cc(ccc1)S(=O)(=O)N2CCc3cc(C(=O)C)ccc23	2109
+c1cc(ccc1OCCC2CCCCN2C(C)=O)-c3[nH]c4cc(ccc4n3)C(N)=O	319
+c1cc(ccc1C(=O)OC)C2C=CC=[N+]([O-])C2=O	4010
+c1cc(ccc1-c2cc(n(n2)CC(OCC)=O)NC(C)=O)F	533
+c1cc(ccc1-c2c(C(C)=O)c3cccc(Cl)n3n2)F	2108
+c1cc(ccc1Br)C2=C(C)Oc3c(C2=O)cc(c(O)c3)Cl	7053
+c1cc(ccc1Br)CN(c2ccc(cc2)NC(=O)C)n3cnnc3	125
+c1cc(ccc1C#N)-n2c3cc(C)nc(C)c3nc2C	4012
+c1cc(ccc1C(NC(Cc2cc(Br)ccc2)C(C)=O)=O)C	4017
+c1cc(ccc1NC(=O)C)C(C)C	125
+c1cc(ccc1Br)C(C)NC(C)=O	206
+c1cc(ccc1OC)C(=O)NC(C(=O)C)CC=C	4017
+c1cc(ccc1-c2ccccc2NC(C)=O)C	125
+c1cc(ccc1C=2c3c(CC(NN=2)=O)cc4OCOc4c3)NC(C)=O	125
+c1cc(ccc1OC(=O)C)C=C(C)C(O)=O	225
+c1cc(ccc1C=CC(=O)OCC)-c2nc(NC(C)=O)sc2	1973
+c1cc(ccc1OC(=O)C)C=O	225
+c1cc(ccc1C=O)Oc2cc(c(Nc3snc(C4CCN(CC4)C(C)=O)n3)nc2)Sc5ccccc5Cl	319
+c1cc(ccc1CC(C(=O)O)NC(C)=O)[N+]([O-])=O	3466
+c1cc(ccc1CC(C)NC(=O)C)Br	206
+c1cc(ccc1OC(=O)C)Cc2ccc(nc2)C(O)=O	225
+c1cc(ccc1F)-c2c3cc(C(=O)O)ccc3n(C(=O)C)n2	7054
+c1cc(ccc1-c2c(C(C)=O)c3ccnc(SC)n3n2)F	2108
+c1cc(ccc1F)C(=O)C2CCN(CC2)CCCCN3C(=O)c4c(NC3=O)cc(cc4)NC(=O)C	125
+c1cc(ccc1F)COC2=CC([NH+](C=C2)[O-])=O	4015
+c1cc(ccc1F)Cc2cnc3c(c2)N(C(C(C(=O)NCCOCC)=C3O)=O)CCNC(C)=O	206
+c1cc(ccc1I)C(=NOC(C)=O)N	7055
+CN(C)Cc1c2C(=O)N(C(N(Cc3c(F)cccc3F)c2nn1-c4ccc(cc4)NC(=O)C)=O)c5cccc(c5F)OC	125
+CC(C)(CC)c1ccc(cc1)NC(=O)C	125
+c1cc(ccc1NC(=O)C)CCCC	125
+c1cc(ccc1NC(=O)C)I	125
+c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl	125
+C1COCCN1c2ccc(cc2)NC(=O)C	125
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(N3CCCC(c4c3cccc4)COC(C)=O)=O	152
+c1cc(ccc1NC(=O)c2[nH]ncc2NC(=O)C)F	7056
+c1cc(ccc1C(C)C)N(Cc2ccc3c(c2)cc(C(O)=O)c(O)c3)C(C)=O	808
+c1cc(ccc1CC2=Nc3c(N(c4cccc(c4)-c5ccccc5)C2=O)nccc3)OC(=O)C	225
+c1cc(ccc1OC(=O)C)OC	225
+c1cc(ccc1OCC2(CCc3c(C)c(OC(C)=O)c(c(C)c3O2)C)C)[N+](=O)[O-]	225
+c1cc(ccc1OCCCCCCCC)C2=CC=C(C([NH+]2[O-])=O)CCCCCCCC	7057
+c1cc(ccc1C=O)OCCCCCCCCCCCCOC(C)=O	152
+c1cc(ccc1F)-c2sc(cc2-c3ccc(cc3)S(=O)(=O)C)NC(C)=O	2735
+c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3C(Br)(C(c4nc5n(CCN(Cc6ccccc6)C5)c4)OC(=O)C)C(N23)=O)=O	7058
+c1cc(ccc1[N+](=O)[O-])COC(C=2N3C(C(C(OC(C)=O)c4c5C6CC(CC6)c5n(C)n4)(Br)C3SC=2)=O)=O	4018
+c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3N2C(C3(Br)C(c4cc5COCCn5n4)OC(C)=O)=O)=O	4018
+c1cc(ccc1[N+]([O-])=O)OCC2(Oc3cc(Cl)c(cc3C(C2)=O)OC(C)=O)C	225
+c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F	125
+c1cc(ccn1)-c2c(c3cccc(Cl)n3n2)C(C)=O	2108
+C(C)(=O)NCc1cc(ccc1)-c2ccc3[nH]c4c(ccnc4C)c3c2	206
+c12ccccc1C(OC(=N2)C)=O	7059
+c1ccc2C(=O)C(C(=O)c2c1)=NNC(=O)Nc3c(cccc3)OC(C)=O	225
+c1c2CCN(CCc2ccc1)C(C)=O	319
+s1c2c(cccc2)c(NC(C)=O)c1C(O)=O	7060
+c1cc2c(cc1)c3c(cccc3)n2C(=O)C	4014
+c1c2CC(Cc2ccc1)NC(C)=O	206
+c1ccccc1-c2cc(NC(C)=O)n(n2)CC(OCC)=O	533
+c1cc(ccc1Nc2ncnc(c2)-c3ccccc3)CC(C(O)CCl)NC(C)=O	206
+c1ccccc1C(=O)c2c(OC(=O)C)cc3c(CCC3C(OC)=O)c2	225
+c1ccccc1C(=O)c2cc3c(C(C(=O)O)CC3)cc2OC(=O)C	225
+c1cc(ccc1)C(OC(C)=O)C(C)[N+]([O-])=O	152
+c1cc(ccc1)C(c2c(NC(C)=O)sc3CCCCc23)=O	2735
+c1cc(ccc1)C2(CCN(CC2)C(=O)C)CNC(=O)c3ccccc3OC	319
+c1ccccc1C2=CN(C(C)=O)C(C(C)C)C(N2CC(=O)NC(C(C#N)OC(C)=O)Cc3ccccc3)=O	152
+c1ccccc1C=Nc2ccc(OC(C)=O)c(c2)C(=O)OCC	225
+c1ccccc1CC(C(CC(CCC(C)(C)F)C(=O)N)OC(C)=O)NC(=O)c2nc3c(nc2)cccc3	152
+c1ccccc1CN2CCC(CC2)NC(=O)C	206
+c1ccccc1COC(N2CCCC2(C(=O)NC(C(OC)=O)C(OC(C)=O)C)Cc3ccccc3)=O	152
+c1ccccc1COC(=O)Nc2ccc(cc2O)NC(=O)C	125
+c1ccccc1COC(=O)C2CN(CCO2)C(C)=O	319
+c1ccccc1COC(N2c3c(cc(cc3)N4CC(CNC(=O)C)OC4=O)CCCC2)=O	206
+c1ccccc1COC(=O)NC(C(C)C)C(C(O)=O)OC(=O)C	7061
+c1ccccc1COC(NC(C(=O)OC)CNC(=O)C)=O	206
+c1ccccc1COC(c2c(ccc(c2)COC(C)=O)OC)=O	152
+c1ccccc1COC2CC(OC2COC(C)=O)N3C=C(C(NC3=O)=O)F	152
+c1ccccc1COCCCC(C)(C)COS(=O)(=O)CCCNC(C)=O	206
+c1ccccc1COCCOc2c(CN(C(C)=O)c3cc(F)ccc3Oc4ccccc4)cc(cc2)OC	808
+c1ccccc1COc2c3ccccc3c(CCOC(=O)C)c([N+]([O-])=O)c2	152
+c1ccccc1COc2c(OC)cc(c(NC(C)=O)c2)Br	125
+c1ccccc1COc2cccc([N+](=O)[O-])c2NC(C)=O	125
+c1ccccc1CSc2c(cc(cn2)NC(C)=O)C(C)C	2107
+c1ccccc1NC(=O)Nc2ccc(cc2)Oc3ncnc(c3)NC(=O)C	533
+c1ccccc1Nc2ccnc3[nH]c4CCN(C(C)=O)Cc4c23	319
+c1ccccc1Oc2c(NC(=O)C)cc(Cl)cc2	125
+c1cc(ccc1)Oc2c(cc(F)cc2)N(Cc3cc(OC)ccc3OCCOC4OCCCC4)C(=O)C	808
+c1ccccc1Oc2cc(C(C#N)COC(=O)C)ccc2	152
+c1ccn(c1)-c2cc([N+]([O-])=O)cc(NC(=O)C)c2	125
+c1ccn(c1)-c2cc(C(OC)=O)cc(COC(=O)C)c2	152
+c1n(c(nc1)Sc2ccc(cc2Cl)Nc3c4ccc(cc4ncc3C#N)C=CCOC(C)=O)C	7062
+c1n2nc(ccc2nc1NC(C)=O)Cl	7063
+c1(OC)c2c(c(cc1)OC)nccc2NC(=O)C	125
+c1c(-n2ccnc2)cccc1NC(C)=O	125
+n1(c(cc(C)n1)C)-c2nc(cc(NC(C)=O)n2)Cl	533
+N1(Cc2c(CC1)[nH]nc2Nc3cccc(c3)C(=O)OC)C(=O)C	319
+n1n(c2c(c1I)cc(NC(=O)C)cn2)C	2107
+C(CCCCCCCCCCCCO)CCCCOC(C)=O	168
+C(C)(c1c(n(Cc2ccccc2Cl)c3cc(ccc13)C(=O)N)CCC)=NO	1375
+CC(=O)c1c2c(cc(cc2)C(=O)N)n(c1CCC)Cc3ccccc3Cl	169
+CC(c1cc(cc(c1)Cl)C(=O)OC)=O	1030
+c1cc(ccc1)C(=O)Nc2cc(-c3cc(ccc3)C(=O)C)ccn2	3780
+FC(F)(F)c1ccc(c(N2CCCC2)n1)CNC(C(C)c3ccc(C#N)c(C)c3)=O	9
+Clc1cn(nc1)-c2ccc(cc2Cl)C(C)C(=O)O	1188
+FC(F)(F)c1ccc(c(-c2cccc(c2)C)n1)CNC(=O)C(C)c3ccc(C#N)c(Cl)c3	9
+CC(C(=O)O)c1cc2oc(N)nc2cc1	7064
+FC(F)(F)c1ccc(Oc2cc(ccc2)C(C(=O)O)C)c(c1)C=O	46
+CC(c1ccc([N+]([O-])=O)c(F)c1)C(OC)=O	27
+FC(F)(F)c1nc(c(CNC(C(c2ccc(nc2)C#N)C)=O)cc1)N3CCC(CC3)C	9
+C(N)(C(C)c1ccc2N(C(Sc2c1)=O)COC)=O	83
+CC(C(NNc1nnc(cc1)C(=O)OC)=O)c2ccc3ncccc3c2	355
+CC(C(=O)O)c1cc(ccc1)O	5
+FC(F)(F)c1ccc(cc1)C=C(c2ccc(cc2)OCCCCCCCCOC(C(C)=C)=O)C#N	7065
+c1ccccc1COC(NC(C(N)C)C)=O	101
+CC(c1nnc2n1nc(cc2)C(=O)OC)c3ccc4ncccc4c3	2736
+C1CN(CCN1Cc2ccccc2)C(=O)C(c3c(F)cccc3)C	10
+FC(F)(F)C(C(c1c(ccc(OC)c1)Cl)C)(O)c2ccc3c(N(C)C(=O)CO3)c2	1379
+CC1(C)Oc2c(cccc2)NC1=O	7066
+CC1(C)CC(CC(C)(C)N1)Nc2nc(ccn2)-c3ccc(cc3)C#CC(C)(C)N	197
+CC1(C)CC(CC(C)(C)N1)Nc2nccc(-c3ccc(s3)C#CC(C)(C)N)n2	1236
+FC(F)(F)CNc1c(cc(Cl)cn1)C(NC(C)(C)C#C)=O	3229
+CC(C)(C#Cc1ccc(c(C(c2ccc(cc2)Nc3c(cc(F)cc3)F)=O)c1)OC)N	197
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cnc(c3nc(-c4c(N)non4)n(CC)c23)C#CC(C)(C)O	7067
+CC(C)(C#Cc1ccc2nc(C(=O)OCC)cn2c1C)O	2379
+CC(C)(O)C#Cc1ccc(F)c(F)c1F	197
+CC(C)(C#Cc1cc(F)c(C#N)cc1)O	197
+CC(C)(C#Cc1cc2c(Oc3c(cc(Br)cn3)C24COC(=N)N4)cc1)O	7068
+c1cc(ccc1C#CC(C)(C)O)CCCCC	197
+c1cc(ccc1OC)C(C#CC(C)(C)O)O	4019
+c1cc(ccc1OC)OC(C)(C)C#C	3683
+CC1(C)OC(=CC1=O)c2ccc(cc2)OC	4020
+FC(F)(F)c1cc(ccc1)-c2cc3c(cc2)[nH]c(NC(=O)c4nc5ccc(c(n5c4)C)C#CC(C)(C)O)n3	4021
+C#Cc1cc(F)c(cc1)C#N	2110
+CC(C)(C#Cc1cc2c(cc1)Oc3c(cc(Br)cn3)C24COC(=N)N4)OC	7069
+CC(C)(C#Cc1cc2c(cc1)Oc3c(cc(cn3)-c4cnccc4)C25NC(=N)OC5)OC	1168
+CC(C)(C#Cc1c(n2c(nc(c2)C(O)=O)cc1)C)O	6
+CC(C)(C#N)c1nn(c(N)c1)-c2cccc(O)c2	752
+C[Si](C)(C)CCOCn1cc(C(NC(C2CC2)C(C)(C)C#N)=O)c3c1ncc(C4CC4)n3	484
+CC(C)(C#N)CCCC#N	913
+CC(C)(CN)Cc1cccc(Br)c1	51
+CC(C)(C)OC(=O)NC(CCCC)C(C#N)O	7070
+CC(C)(c1ccc(N)cc1C=C)C#N	7071
+c1cc(ccc1C)-c2cc(N)ccc2C(C)(C)C#N	11
+CC(C)(C#N)c1c(Br)cc(cc1)N	0
+CC(C)(c1c(C)ccc(F)c1)C=O	2013
+CC(C)(CN)c1cc(c(cc1)OC)OC	51
+CC(C)(c1cc(cc(C(C)(C)C#N)c1)Cn2ncnc2)C#N	4022
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)(C)C#N	17
+CC(C)(C#N)c1ncc(cc1)Nc2c3cc(Br)ccc3ncc2N	13
+CC(C)(c1ncc(cc1)N)C#N	13
+CC(C)(c1nc(ccc1)N)C#N	1380
+CC(C)(C#N)c1nc(ccc1)O	104
+ClC(Cl)(Cl)COC(=O)Nc1cc(C(C)(C)C#N)nn1-c2cccc(OCCOC3CCCCO3)c2	278
+CC(C)(C(=O)OCC)c1nsc2ccc(cc12)[N+](=O)[O-]	2061
+CC(C)(n1ncc(Cl)c1)C(OCC)=N	1664
+CC1(C)C(Nc2c(O1)cc(cc2)C)=O	4023
+CC1(C)Oc2c(NC1=O)cc(Br)c(F)c2	4023
+CC(C)(Br)C(Nc1ccccc1O)=O	829
+C1CCc2c1cc3CC(C)C(=O)c3c2	3348
+c1cc(ccc1C(C)(C)C(C(=O)O)NC)Br	4024
+c1ncncc1Cn2nc(-c3nc(c(nn3)C(C)(C)C(=O)OC)O)c4cc(cnc24)F	3553
+FC(F)(F)C(C)(C(C)(C)C(c1cc2c(n(-c3ccc(cc3)F)nc2)cc1)c4ccccc4)O	7072
+CC(C)(CCCCOCCCCCl)C(=O)OCC	204
+CC(C)(C(=O)N)c1ccccc1OCc2ccccc2	22
+CC(C)(c1ccccc1CCc2c(cnc(n2)Cl)Cl)C(N)=O	801
+CC(C)(c1c(cccc1)OCc2ccccc2)N	7073
+CC(C)(CN(c1nc(Nc2ccc(cc2OC)C(=O)OC)ncc1Br)C3CCCC3)C(NC)=O	55
+CC(C)(N(C)C)C(=O)NNc1ncc(F)cc1	355
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc(c(c1)Cl)[N+]([O-])=O)=O	10
+CC(C)(c1cc(c(cc1)F)OC)C(=O)N(OC)C	164
+CC(C)(C(OCCCC)=O)c1cc(O)c2c(OC(C)(C)C3CCC(CC23)O)c1	4025
+c1cc(ccc1C(C)(C)C(=O)O)O	5
+c1cc(ccc1C(C)(C)C(Nc2cc(ccc2)OCCOC)=O)S(=O)(=O)C=CC#N	33
+CC1(C)C(=O)NN=C1c2c3ccc(CC)nc3c(cc2)OC	7074
+c1cc(ccc1CN(CCC)C(=O)CCC(C)(C)C(=O)OC)-c2c(C#N)cccc2	58
+c1cc(ccc1)COCC(C)(C)C(=O)O	4
+c1cc(ccc1)COCC(C)(C)C(CC#N)=O	1982
+CC(C)(C(=O)OC)COc1ncc(-c2ccc3c(cc(nc3c2)C)C(=O)Nc4ccccc4)cc1	67
+c1cc(ccc1)NC(=O)c2cc(nc3c2ccc(-c4cnc(cc4)OCC(C)(C)C(=O)O)c3)C	4
+c1c(C)c(c(cc1CC(C)(C)C(=O)O)C)-c2[nH]c3ccc(cc3n2)-c4oc(-c5ccccc5C)nn4	4
+CC1(C)C(Nc2cc(N3CCOCC3)cnc12)=O	4026
+CC1(C)c2c(NC1=O)cc(Br)cn2	4026
+CC(C)(C)OC(N1CCN(CC1)C(C)(C)C(=O)OCC)=O	7075
+CC(C)(C)OC(=O)Nc1cccc(OC(C)(C)C(OCC)=O)c1	517
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(C)C(CCCc3cc(C)c(OC(C)(C)C(OCC)=O)cc3)C2	517
+CC(C)(Sc1ccc2c(c1)sc(N)n2)C(=O)OCC	3815
+O=S(=O)(CC)c1cc2c(OC(C)(C)C(=O)N2)c(c1)Br	7076
+CC(C)(C(OCC)=O)Oc1ccc([N+]([O-])=O)c(c1)F	517
+c1ccccc1-c2c3c([nH]c2C)cccc3OC(C)(C)C(=O)OCC	517
+CC(C)(Oc1ccc2c(c1)c(C(=O)OCc3ccccc3)c(C)[nH]2)C(OCC)=O	517
+C1CCCCC(C1)=C(c2ccc(cc2)O)c3ccc(cc3)OC(C)(C)C(OCC)=O	517
+CC(C)(C(OCC)=O)Oc1ccc(cc1)CCCC(=O)O	517
+FC(F)(F)c1ccc(cc1)-c2ccc(c(C)n2)CCOc3c4c(cccc4)cc(c3)OC(C)(C)C(OCC)=O	20
+CC(C)(C(=O)OCC)c1nsc2ccc(N)cc12	0
+CC(C)(C(C(N1CCCC1C(O)=O)=O)NC(OCC)=O)SC(C)C	4
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2C)Cl	4027
+CC1(C)C(C)(C)OB(O1)c2sc(cc2)C(=O)O	4027
+CC(C)(C(C)=O)c1cc(c(cc1)F)C#N	180
+c1cc(ccc1C=CC(C(C)(C)C(C)C)=O)Cl	964
+CC(C)(C(C)NS(=O)(=O)c1ccc(cc1)-c2c3cc([nH]c3ncc2)C4CC4)O	7077
+CC(C)(CCl)C(COc1ccc(cc1)-c2ccc(cc2)Cl)=O	717
+CC(C)(CF)C(COc1ccc(Cl)cc1Cl)=O	717
+c1cc(ccc1)[Si](c2ccccc2)(OCC(C)(C)C(=O)CBr)C(C)(C)C	328
+CC(C)(C(=O)N)c1ccccc1C#Cc2nc(Cl)ncc2Cl	838
+c1cc(ccc1)CSC(C)(C)C(C(=O)O)N	639
+c12c(C(=O)N(C1=O)CC(NC(c3cc(sc3)-c4ccnn4C)=O)C(C)(C)c5ccccc5)cccc2	2582
+CC(C)(Sc1cc2sc(N)nc2cc1)CN3CCCC3	15
+CC(C)(C(=O)NC)CN(C1CCCC1)c2nc(ncc2Br)Cl	54
+O=S(=O)(c1ccccc1)Nc2cc3c(n(c(C(C)(C)CC)n3)CC4CCCCC4)cc2	953
+CC(C)(CCC)C(=O)Cl	130
+CC(C)(CO)C(OCC)=O	939
+c1ccccc1COC(NC(C)(C)C(NC(CCc2ccccc2)C(OCC=C)=O)=O)=O	188
+CC(C)(C(O)=O)c1cncc(-c2ccc3c(CCC(=O)N3C)c2)c1	156
+CC(C)(O)C(Oc1c(cnc(Cl)n1)I)C	145
+CC(C)(O)C(C)Oc1ncnc(Cl)c1	145
+CC(C)(C(C)=O)c1cc(c(cc1)F)Br	86
+CC(C)(Oc1cc(C)c(SC#N)cc1C)C(=O)OC	517
+c1ccccc1COc2cc(c(cc2)OC(C)(C)C(OC)=O)C	517
+CC(C)(C(OC)=O)CC(c1ccc(cc1)-c2ccc(cc2)NC=O)=O	2111
+CC(C)(C(OC)=O)CC(c1ccc(cc1)-c2ccc(cc2)N)=O	2737
+CC(C)(COc1ccc(cc1)OC)CO	95
+C(C)C(CC)(c1cc(c(C#CC2(CCCC2)O)cc1)C)c3cc(c(C(NC(C)(C)C(OC)=O)=O)cc3)C	259
+CC(C)(C(=O)OC)NC(=O)c1ccc2c(nc3c(c2O)cccc3)c1	7078
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(c3)-c4cc(ccc4)C(=O)NC(C)(C)C(=O)OC)o2	259
+CC(C)(C(OC)=O)OCCCCCCCc1csc(n1)-c2ccccc2	3301
+CC(C)(C(OC)=O)OCCCCCCCC(=O)CCl	86
+CC(C)(C(OC)=O)OCCCCCCCC(O)CCl	7079
+CC(C)(C(OC)=O)OCCCCCCCC1OC1	553
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3c(cc(OC(C)(C)C(OC)=O)c(Cl)c3)Cl)c2	20
+c1ccccc1C#Cc2ccc(cc2)OCCc3csc(SC(C)(C)C(OC)=O)n3	129
+CC(C)(C(OC)=O)c1cc(c(OC)c(-c2c(ccc(C#N)c2)OC)c1)C=O	11
+CC(C)(c1cc(-c2[nH]c3c(cc(cc3)C(=N)N)n2)c(c(c1)-c4c(ccc(C#N)c4)OC)OC)C(=O)OC	622
+CC(C)(C(OCC)=O)CN	3664
+CC(C)(C)SCC(CC(C)(C)C(OCC)=O)=O	7080
+c1cc(ccc1S(=O)(=O)NCCCCCCC(C)(C)C(OCC)=O)Cl	7081
+CC(C)(CNC(c1c(c2ccc(cc2c(C#N)n1)Oc3cc4ccccc4cc3)O)=O)C(OCC)=O	658
+CC(C)(Oc1cc(c(N)cc1)F)C(OCC)=O	0
+c1cc(ccc1OCCN2C(=O)Sc3c2ccc(c3)C(=O)c4ccccc4)OC(C)(C)C(OCC)=O	7082
+FC(F)(F)c1ccc(cc1)-c2ncc(C(=O)NCc3cccc(c3)OC(C)(C)C(OCC)=O)c(C4CC4)n2	484
+FC(F)(F)c1ccc(cc1)CCNc2cccc(OC(C)(C)C(OCC)=O)c2	3418
+CC(C)(C(=O)O)c1cc(Cl)c([N+]([O-])=O)cc1	3
+CC(C)(CO)n1ncc([N+]([O-])=O)c1	44
+CC(C)(C(C)Oc1ncnc(OCC#CCC)c1)F	1138
+CC(C)([N+](=O)[O-])C(c1ccc2OCOc2c1)Cl	525
+CC(C)(C)C#Cc1sc(c(NC(OC(C)(C)C)=O)c1)C(OC)=O	1236
+CC(C)(C)C#Cc1c(NC(OC(C)(C)C)=O)cnc(c1)Cl	1243
+CC(C)(C)C#Cc1ccc(cc1F)C=2NC(=O)N(N=2)c3cc(ccc3Cl)CNC(C(C)C)=O	3732
+CC(C)(C)C#Cc1sc(c(N(C(C)C)C(=O)C2CCC(CC2)C)c1)C(=O)OC	1236
+CC(C)(C)C#Cc1ccc(C(=O)C)cc1Cl	197
+CC(C)(C)C#Cc1nc(Cl)ccc1N	3407
+CC(C)(C)C#Cc1cc(c(s1)C(=O)OC)N(C2CCC3(OCCO3)CC2)C(C4CCC(CC4)C)=O	1990
+CC(C)(C)C#Cc1ccc(cc1)CCS(=O)(=O)Nc2ccc(cc2S(=O)(=O)N)C	197
+CC(C)(C)C#Cc1cccc(N)c1C#N	197
+CC(C)(C)C#Cc1c(Cl)cc(cc1Cl)[N+](=O)[O-]	121
+CC(C)(C)C#Cc1c(c(C#N)cc([N+](=O)[O-])c1)N	197
+CC(C)(C)C#Cc1c(C)cc(c(C)c1)N	121
+CC(C)(C)C#Cc1c2c(c(nn1)Nc3ccc(cc3)Oc4ccnc5c4ncc(c5)OC)cccc2	7083
+CC(C)(C)C#Cc1cc(C)c(N=CN(C)C)cc1C	7084
+CC(C)(C)C#Cc1c(cc(cc1Cl)N=C=S)Cl	333
+CC(C)(C)C#Cc1c(Cl)cc(cc1Cl)N	0
+CC(C)(C)c1cc2cc(Cl)ncc2[nH]1	7085
+CC(C)(C)c1cc2c(c(C#N)cc([N+]([O-])=O)c2)[nH]1	2112
+CC(C)(C)c1n(CCO)c2cnc(Cl)cc2c1	7086
+CC(C)(C)C#Cc1sc(C(O)=O)c(N(C2CCOCC2)C(=O)c3ccc(cc3Cl)Cl)c1	1
+CC(C)(C)C#Cc1sc(c(N(C2CCC(CC2)O)C(=O)C3CCC(CC3)C)c1)C(=O)OC	100
+CC(C)(C)C#Cc1cc(N(C(c2ccc(cc2Cl)Cl)=O)C3CCOCC3)c(C(=O)OC)s1	4028
+CC(C)(C)C#Cc1cc(N(C2CCC(CC2)=O)C(C3CCC(CC3)C)=O)c(s1)C(=O)OC	97
+CC(C)(C)CCc1c(cc(C(C)=O)cc1)Cl	213
+CC(C)(C)CCc1cccc(N)c1C#N	213
+CC(C)(C)C#Cc1c(ccc(Cl)n1)NC(=O)CCC	308
+CC(C)(C)C#Cc1cc(N(C(C)C)C(C2CCC(CC2)C)=O)c(C(=O)O)s1	1
+CC(C)(C)C#Cc1sc(c(N)c1)C(=O)OC	4029
+CC(C)(C)c1nnc(CC#N)[nH]1	7087
+CC(C)(C)c1ncc[nH]1	7088
+CC(C)(C)c1noc(-c2ccc(cc2)C#Cc3cc(F)ccc3)n1	7089
+CC(C)(C)C1(CO1)C(F)(C)n2ncnc2	2113
+CC(C)(C)C(COc1n(-c2ccccc2)nc(C(=O)NC(C(=O)OC)CCC(=O)OC(C)(C)C)c1)=O	7090
+CC(C)(C)C(=O)CN1C(=O)C(CN(C2CCCCC2)c3ccc(C)cc13)NC(=O)OC(C)(C)C	7091
+CC(C)(C)C(=O)COc1c(C)cc(cc1)C(CC)(CC)c2nc3cc(C(=O)OC)ccc3o2	717
+CC(C)(C)C(=O)COc1ccc(cc1C)C(CC)(CC)c2cc3sc(cc3cc2)C(OCC)=O	717
+CC(C)(C)C(=O)COc1c(cc(cc1)C(CC)(CC)c2cc(c3oc(C(=O)OCC)cc3c2)C)C	717
+CC(C)(C)C(=O)COc1c(cc(cc1)C(CC)(CC)c2ccc3cc(C(OC)=O)ccc3c2)C	717
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2nc3ccc(C(=O)OC)cc3o2)cc1)C	717
+CC(C)(C)C(COc1ccc(cc1C)C(CC)(CC)c2oc3c(ccc(c3)OCc4ccccc4)c2)=O	717
+CC(C)(C)c1nc(N)sc1	1102
+CC(C)(C)C(CN1C(N(c2c(cc(s2)CC)C1=O)Cc3ccc(cc3)-c4c(C#N)cccc4)=O)=O	7092
+CC(C)(C)c1cc(N)n(n1)-c2cc(OC)ccc2	752
+CC(C)(C)c1cc(N)n(n1)-c2cc(c(cc2)C)I	752
+CC(C)(C)c1cc(N)n(-c2ccc3CCN(C(=O)C(F)(F)F)c3c2)n1	4030
+FC(F)(F)C(NCCc1cccc(c1)-n2c(N)cc(C(C)(C)C)n2)=O	752
+CC(C)(C)c1nn(-c2ccccc2C)c(c1)N	752
+CC(C)(C)c1nn(c(c1)N)-c2ccc(cc2)F	752
+CC(C)(C)c1cc(N)n(n1)-c2ccc(cc2)C	752
+CC(C)(C)c1cc(N)n(-c2ccc(cc2)[N+]([O-])=O)n1	752
+CC(C)(C)OC(=O)N1CC2CN(CC(C1)O2)CC(C(C)(C)C)=O	2382
+CC(C)(C)C(CN1C(C(CN(C2CCCCC2)c3c1cc(cc3)C)N)=O)=O	84
+CC(C)(C)C(CN1C(=O)c2cc(CC)sc2N(C1=O)Cc3ccc(cc3)-c4c(cccc4)C5=NOC(=O)N5)=NOC	350
+CC(C)(C)C(=O)COc1c(C)cc(cc1)C(CC)(CC)c2ccc3cc(oc3c2)C(O)=O	6
+CC(C)(C)C(COc1c(C)cc(cc1)C(CC)(CC)c2ccc(cc2)-c3nnn[nH]3)O	100
+CC(C)(C)C(=O)COc1c(C)cc(cc1)C(CC)(CC)c2ccc(cc2)C#N	1013
+CC(C)(C)C(=O)COc1c(C)cc(C(CC)(CC)c2ccc(cc2)-c3nnn[nH]3)cc1	1174
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2cc3ccc(cc3cc2)C(=O)N(C)C)cc1)C	115
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2oc3c(ccc(c3)C(O)=O)n2)cc1)C	1
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2nc3c(o2)cc(cc3)C(N(C)C)=O)cc1)C	30
+CC(C)(C)C1(OCCO1)COc2c(cc(cc2)C(CC)(CC)c3cc(c4oc(C(=O)OCC)cc4c3)C)C	381
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2ccc3c(ccc(C(=O)O)c3)c2)cc1)C	1
+CC(C)(C)C(COc1c(C)cc(cc1)C(CC)(CC)c2cc3c(cc(C(=O)N(C)C)s3)cc2)O	100
+CC(C)(C)C(COc1c(C)cc(cc1)C(CC)(CC)c2cc3sc(cc3cc2)C(O)=O)O	100
+CC(C)(C)C(=O)COc1ccc(C(CC)(CC)c2cc3c(cc(C(=O)N(C)C)s3)cc2)cc1C	867
+CC(C)(C)C(=O)COc1ccc(cc1C)C(CC)(CC)c2cc3sc(cc3cc2)C(O)=O	6
+CC(C)(C)C(OCC1CCN(CC1)C(=O)OC(C)(C)C)=O	204
+CC(C)(C)C(N1c2c(cccc2)NC(C(NC(OC(C)(C)C)=O)C1)=O)=O	192
+CC(C)(C)C(NS(=O)(=O)c1ccccc1NC(=O)c2cc(ccc2)OCc3ccc(cc3)C(C)(C)C)=O	2738
+CC(C)(C)C(=O)NCc1cc(c(cc1)Cl)Nc2[nH]c3cc(c(Cl)cc3n2)N4C(CCC4)CN(C)C	68
+CC(C)(C)C(=O)Nc1nc2ccc(cc2cc1)-c3ccccc3C	195
+CC(C)(C)C(Nc1c(cc(Cl)cc1)C2Nc3ccccc3C2)=O	26
+CC(C)(C)C(=O)Nc1ccc(cn1)Cl	195
+CC(C)(C)C(=O)Nc1nn(C)c(c1C#N)N	195
+FC(F)(F)c1ccc(-c2nc3ccc(cn3c2)Br)cc1NC(C(C)(C)C)=O	26
+FC(F)(F)c1ccc(cc1NC(C(C)(C)C)=O)-c2nc3ccc(Cl)nn3c2	26
+CC(C)(C)C(NCc1ccc(Cl)c(Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(cc3n2C)OCC(F)F)c1)=O	68
+CC(C)(C)C(NCc1cc(c(cc1)Cl)C=2NC(=O)N(c3cc(Cl)c(cc3)F)N=2)=O	3733
+CC(C)(C)C(=O)NCc1c(cc(Cl)c(c1)C2=NC(=O)N(N2)c3cc(Cl)c(F)cc3)F	68
+CC(C)(C)C(=O)NCc1ccc(Cl)c(N)c1Cl	68
+CC(C)(C)C(=O)NCc1ccc(c(N)c1F)Cl	68
+CC(C)(C)C(Nc1c(ccc(-c2nc3ccc(Cl)nn3c2)c1)C)=O	26
+CC(C)(C)C(=O)Nc1ccc(c(OC)c1)Cl	26
+CC(C)(C)C(=O)Nc1ccc(C#N)c(OCC=C)c1	26
+CC(C)(C)C(Nc1nccc(c1)Cl)=O	195
+CC(C)(C)C(=O)NS(=O)(=O)c1cc(Cl)ccc1OCC(=O)N2CC(C)N(CC2C)Cc3ccc(cc3)F	2738
+CC(C)(C)C(Oc1c(c(O)nc2c1nccn2)-c3ccc(nc3Cl)Cl)=O	4031
+CC(C)(C)C(=O)NCc1c(F)c(c(F)cc1)N	68
+CC(C)(C)C(=O)Nc1ccc(c(c1)[N+]([O-])=O)F	26
+CC(C)(C)C(=O)Nc1c(c(c(Br)cc1)[N+]([O-])=O)C(OC)=O	26
+CC(C)(C)C(=O)Oc1cccc(C=O)c1	385
+CC(C)(C)C(Oc1c(-c2nnn[nH]2)cccc1)=O	385
+CC(C)(C)C(Nc1c(Cl)cccc1CO)=O	26
+CC(C)(C)C(=O)Nc1c(ccc(OC)c1)-c2ccccc2	26
+CC(C)(C)C(=O)NC(C)C(c1ccccc1)Oc2cc3c(n(-c4ccc(cc4)F)nc3)cc2C	68
+CC(C)(C)C(Nc1c(C)ccc(-c2c(n3nc(ccc3n2)OC)-c4ccc(cc4)F)c1)=O	26
+CC(C)(C)C(=O)Nc1n(Cc2ccc(cc2)OC)ncc1C(N)=O	195
+CC(C)(C)C(Nc1ccc(cc1)C#N)=O	26
+CC(C)(C)C(Nc1ccc(cc1)Cl)=O	26
+CC(C)(C)C(Nc1ncc(cc1)Br)=O	195
+CC(C)(C)C(=O)Nc1ccccc1C	26
+CC(C)(C)C(NC(c1nccnc1Cl)c2ccc3ccc(-c4ccccc4)nc3c2)=O	68
+CC(C)(C)C(=O)Nc1ccc(-c2ccccc2)cn1	195
+CC(C)(C)C(=O)Nc1c(C)ccc(c1)-c2nc3n(c2Br)nc(cc3)OC	26
+CC(C)(C)C(=O)Nc1cc(F)cnc1	308
+CC(C)(C)C(Nc1cncc(c1)Br)=O	308
+CC(C)(C)C(=O)Nc1n(C)nc(C)c1	195
+CC(C)(C)c1nc(co1)CCl	7093
+CC(C)(C)C(N(c1ccc(cc1)CN)C)=O	107
+CC(C)(C)C(N(C1CN(C(C(=O)N)C1)C(=O)OC(C)(C)C)C2CCC(CC2)C)=O	83
+FC(F)(F)C(N1CCc2c(C#CCCNC(C(C)(C)C)=O)c(ccc2CC1)Cl)=O	1247
+CC(C)(C)C(NCc1ccc(c(Nc2nc3c(cc(F)c(c3)C(Nc4ccc(c(Cl)c4)F)=O)n2C)c1Cl)Cl)=O	1023
+CC(C)(C)C(=O)NCc1ccc(c(N=C=S)c1F)F	1381
+CC(C)(C)C(=O)NCc1c(F)c(C(Nc2cccc3c(ncnc23)Oc4cccc(C(F)(F)F)c4)=O)c(cc1)Cl	487
+CC(C)(C)C(=O)NCc1c(Cl)c(N=C=S)c(cc1)Cl	1381
+CC(C)(C)C(=O)NCc1ccc(c(c1F)N=C=S)Cl	1381
+CC(C)(C)C(=O)NCc1c(F)c(c(cc1)F)Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(OCC(F)F)cc3n2C	1023
+Nc1c(-c2ncccc2)cc(Br)c(F)c1[N+]([O-])=O	685
+CC(C)(C)C(=O)Nc1c(-c2ccccn2)cc(Br)c(F)c1[N+]([O-])=O	31
+CC(C)(C)C(Nc1c(B(O)O)ccc(OC)c1)=O	281
+CC(C)(C)C(=O)Nc1c(C(=O)OC)c(cc(c1)F)O	16
+CC(C)(C)C(Nc1c(c2nc3n(c2cc1)CCC3)C(=O)OC)=O	2739
+Clc1cc(c(N)cc1)C(=O)c2cccnc2	685
+n1cccnc1-c2c(N)c(cc(Br)c2)[N+]([O-])=O	685
+CC(C)(C)C(Nc1c(F)c(C(=O)c2ccc3nccnc3c2)c(cc1)F)=O	335
+CC(C)(C)C(Nc1ccc(C#N)c2c1cc(C)o2)=O	7094
+CC(C)(C)C(=O)Nc1c(C(OC)=O)c(OCc2ccccc2)cc(F)c1	128
+CC(C)(C)C(=O)Nc1cncc(F)c1I	916
+CC(C)(C)C(=O)Nc1cc(c(cc1)NCC2CCCCC2)N	0
+CC(C)(C)C(Nc1c(C=O)cc(-c2ccccc2)cn1)=O	1031
+CC(C)(C)C(=O)Nc1c(c(O)c(C#N)cc1)CC=C	423
+CC(C)(C)C(=O)Nc1ncc(cc1)CC	1661
+CC(C)(C)C(Nc1ccc(CO)c(C)n1)=O	269
+CC(C)(C)C(=O)Nc1c(C=O)c(OC)c(cc1)Cl	151
+C1COCCN1c2cnc3ccc(cc3n2)C(c4ccc(cc4)N)=O	685
+CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)c2ccc3ncc(N4CCOCC4)nc3c2	335
+CC(C)(C)C(=O)Nc1ncc(Cl)cc1C=O	1031
+CC(C)(C)C(Nc1c(I)cc(N2CCN(CC2)C)nc1)=O	916
+CN(C)CCc1c(cc(-c2nc(ccc2)N)c(c1)OC)OC	1189
+CC(C)(C)C(=O)Nc1nc(ccc1)-c2c(cc(CCO)c(c2)OC)OC	35
+CC(C)(C)C(Nc1c(C(O)c2c(cc(Cl)cn2)NS(=O)(=O)c3ccc(c(C(F)(F)F)c3)Cl)c(ccc1)OC)=O	7095
+CC(C)(C)C(Nc1cc(ccc1)C(c2ccc3ncc(nc3c2)Cl)=O)=O	335
+CC(C)(C)c1[nH]c2c(cccc2)c1	7096
+Nc1cncc(F)c1I	4032
+CC(C)(C)CNc1n(nc(C)c1)C	15
+CC(C)(C)c1nc(O)c2c(n1)n(Cc3ccc(cc3)OC)nc2	7097
+CC(C)(C)C(=O)Nc1nc(-c2cc(CC)c(cc2OC)CCO)ccc1	35
+CN(C)CCc1cc(OC)c(-c2nc(N)ccc2)cc1CC	1189
+CC(C)(C)C(=O)Nc1nc(ccc1)-c2cc(c(CC=O)cc2OC)CC	24
+n1c(ccc(Cl)c1Cl)N	1189
+CC(C)(C)C(Nc1nc2c(c3c(cccc3)[nH]2)c(n1)Nc4cc(ccc4)Br)=O	1665
+CC(C)(C)C(=O)Nc1nc(Cl)c2c([nH]c3ccccc23)n1	1032
+CC(C)N(C(C)C)CC#Cc1c2c(nc(NC(=O)C(C)(C)C)nc2n(c1)Cc3c(c(c(C)cn3)OC)C)Cl	3958
+CC(C)(C)C(=O)Nc1cccc(-c2c(cc(CCN(C)C)c(c2)OC)OC)n1	61
+CC(C)(C)C(=O)Nc1nc(ccc1)-c2c(OC)cc(CC=O)c(c2)OC	24
+CC(C)(C)C(=O)Nc1nc(-c2cc(CC)c(CCN(C)C)cc2OC)ccc1	61
+CC(C)(C)C(=O)Nc1nc(Cl)c(Cl)cc1	395
+CC(C)(C)C(=O)Nc1c(I)cc2c(n1)ccc(-c3ccccc3C)c2	625
+Nc1c(cc(Cl)cn1)C=O	1189
+CC(C)(C)C(=O)Nc1[n+](cc(cc1)CC)[O-]	341
+CC(C)(C)c1c(Cl)nnc(Cl)c1	3836
+CC(C)(C)C(OC(CC)c1c2c(nc3N(CCCn23)c4c(Cl)cc(Cl)cc4)c(cc1)Cl)=O	7098
+CC(C)(C)C(=O)Oc1ccc(cc1)C(c2sc(S(=O)(=O)N)cc2)=O	7099
+CC(C)(C)C(OC1CC(C1)O[Si](C)(C)C(C)(C)C)=O	655
+C1CN(CCN1CC(COc2c(OC)cc3c(ncnc3O)c2)O)C	1666
+C1CCCN1CC(O)COc2c(OC)cc3c(ncnc3O)c2	1666
+CC(C)(C)C(=O)OCN1C=Nc2c(C1=O)cc(OC)c(O)c2	16
+C1CN(CCC1)CCCOc2cc3ncnc(c3cc2OC)O	1666
+C1CC(CCC1)Cn2c3c(OC)cccc3c(-c4nc(sc4)CO)c2	4033
+CC(C)(C)C(=O)OCn1nc(cc1)N2C(C(C(O)C(OC(C)(C)C)=O)OCC2)=O	4034
+CC(C)(C)C(=O)OCn1nc(cc1)N2CCOC(C(O)C(=O)O)C2=O	32
+CC(C)(C)C(=O)OCn1nc(N2C(C(C(O)C(Nc3ccc(cc3C(N)=O)I)=O)OCC2)=O)cc1	33
+C(C)OC(OCC)c1ccc(nc1)-c2c[nH]nn2	4035
+CC(C)(C)C(=O)Oc1cc2c(CC(CC2)c3ccc(cc3NCCCc4ccc(cc4)CC(=O)O)OC)cc1	7100
+CC(C)(C)C(=O)Oc1cccc(CO)c1	41
+CC(C)(C)C(=O)Oc1cc(CP(OCC)(OCC)=O)ccc1	590
+CC(C)(C)C(c1ccc(CC(C)C(=O)O)c(Br)c1)=O	4036
+CC(C)(C)[Si](C)(C)OCc1ccc(c(c1)C(=O)C(C)(C)C)-c2cc(ccc2F)OC	19
+CC(C)(C)C(=O)c1c2c(cc(OC)cc2)n(CC(=O)O)n1	3
+CC(C)(C)c1nc(c(s1)-c2nc(ncc2)Cl)-c3cccc(c3F)NC(OCC=C)=O	873
+CC(C)(C)c1sc(c(-c2c(c(ccc2)NS(=O)(=O)c3c(cccc3F)F)F)n1)-c4nc(Cl)ncc4	873
+CC(C)(C)C(O)C#Cc1ccc(cc1)C(CC)(CC)c2cc(C)c(OCc3ccccc3)cc2	197
+CC(C)(C)c1c(N)n[nH]c1N	4037
+CC(C)(C)C(NC(C(NCC)C(C)(C)c1ccccc1)=O)C(N(C)C(C=C(C(=O)OCC)C)C(C)C)=O	207
+CC(C)(C)C(C(N)=O)N	334
+CC(C)(C)C(C(=O)N1CCC2N(CC(c3c4ccc(cc4[nH]c3)F)C12)C5CCCC5)N	84
+CC(C)(C)C(NC(=O)c1[nH]c2ccccc2c1)C(N3C4CC(N(C(=O)c5ccc(-c6ncc(C#N)cc6)cn5)C4)C3)=O	147
+CC(C)(C)C(NC(=O)c1[nH]c2ccccc2c1)C(N3C4CC(C3)N(C(=O)c5ccc(cn5)Br)C4)=O	147
+C[Si](C)(C)CCOCn1cc(C(NC(C(C)(C)C)C(N2CCC(CC2)C#N)=O)=O)c3c1ncc(Br)n3	2717
+CC(C)(C)C(NC(=O)OC)C(NC(C(CC(NC(=O)OC(C)(C)C)Cc1ccccc1)O)Cc2ccccc2)=O	9
+CC(C)(C)C(C(NNCc1ccccc1)=O)NS(=O)(=O)C	355
+CC(C)(C)C(C(=O)O)NC(=O)C(C1CCCCC1)NC(=O)c2cnccn2	4
+CC(C)(C)C(NC(=O)N1C(N(c2ccccc12)CCC(C)(C)O)=O)C(=O)N	7101
+CC(C)(C)C(C(N)=O)NC(c1c2c(n(Cc3noc(C)c3)n1)cccc2)=O	712
+CC(C)(C)C(N)C(N1CCC(CC1)(O)c2ccccc2)=O	84
+CC(C)(C)C(C(NC)=O)NC(c1c2n(CCN(C(OC(C)(C)C)=O)C2)c(n1)-c3ccccc3)=O	1795
+CC(C)(C)C(NC(=O)c1c2CNCCn2c(-c3ccccc3)n1)C(NC)=O	2
+CC(C)(C)C(C(=O)O)NS(=O)(=O)C	4038
+CC(C)(C)C(NC(=O)c1ccccc1C)C(O)=O	946
+CC(C)(C)OC(=O)C(C(C)(C)C)NCCN	45
+CC(C)(C)C(O)(C)C(=O)O	7102
+CC(C)(C)C(=Cc1c(Cl)cc(cc1)Cl)C	846
+CC(C)(C)C(Cc1cc(c(cc1)OC)OCc2ccccc2)=O	3517
+CC(C)(C)C(C)N(Cc1ccc2n(COC(N3CCCC3)=O)c(nc2c1)N)C(=O)OCc4ccccc4	4039
+CC(C)(C)C(C)N(C(=O)OCc1ccccc1)Cc2ccc(NCOC(=O)N3CCCC3)c(c2)N	0
+CC(C)(C)C(Nc1nc(ncc1F)-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)F)CCC(=O)OCC	783
+CC(C)(C)C(C=CC(OCC)=O)Nc1nc(ncc1F)-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)F	1344
+CC(C)(C)C(Nc1c(F)cnc(n1)Cl)CC(OC)=O	40
+CC(C)(C)C(Nc1nc(ncc1F)-c2c[nH]c3ncc(cc23)F)CC(=O)O	4
+CC(C)(C)C(CC(OC)=O)Nc1c(F)cnc(-c2c[nH]c3ncc(cc23)F)n1	392
+CC(C)(C)C(C(C(=O)OCC)=CN(C)C)=O	2740
+CC(C)(C)C(CN1C(C(CN(C2CCCCC2)c3ccc(C)cc13)NC(=O)Nc4cc(C(O)=O)ccc4)=O)=O	6
+CC(C)(C)C(=O)CN1C(N(c2sc(cc2C1=O)CC)Cc3ccc(cc3)-c4c(cccc4)C5=NOC(=O)N5)=O	618
+CC(C)(C)C(CN1CC2CN(CC(C1)O2)CCc3ccc(cc3)C#N)=O	123
+CC(C)(C)C(O)CN1C(=O)C(=C(n2c1nc(C)n2)CCC)Cc3ccc(cc3)-c4ccccc4C#N	100
+CC(C)(C)C(OC)CN1c2n(nc(C)n2)C(=C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)C1=O)CCC	618
+CC(C)(C)c1oc(-c2cc(OCC3CC3)c(C4CC4)cn2)nc1	7103
+CC(C)(C)C(C)(C=O)O	24
+CC(C)(C)C(COc1c2c(ncn1)oc(c2-c3ccc(cc3)CC)-c4ccccc4)CO	2741
+CC(C)(C)C(Nc1nc(ncc1F)Cl)C=O	24
+CC(C)(C)C(COS(=O)(=O)C)Nc1nc(ncc1F)Cl	7
+CC(C)(C)C(COC)(COC)COC(C)(C)C(C)C	76
+CC(C)(C)C(CSC(=O)C)Nc1nc(Cl)ncc1F	7104
+CC(C)(C)C(CN=[N+]=[N-])Nc1c(F)cnc(n1)Cl	133
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2cc3cc(ccc3s2)OS(=O)(=O)C)C)=O	444
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2cc3cc(O)ccc3s2)C)=O	5
+CC(C)(C)OC(COCC(C(C)(C)C)COc1ncnc2oc(c(-c3ccc(cc3)CC)c12)-c4ccccc4)=O	337
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2cc3ccc(OS(=O)(=O)C)cc3o2)C)O	100
+CC(C)(C)C(COc1ccc(cc1C)C(CC)(CC)c2cc3ccc(OS(=O)(=O)C)cc3o2)=O	444
+CC(C)(C)C(COc1ccc(cc1C)C(CC)(CC)c2cc3ccc(cc3o2)O)=O	16
+CC(C)(C)C(COc1n(nc(C(NC(CCC(=O)OC(C)(C)C)C(O)=O)=O)c1)-c2ccccc2)=O	4
+CC(C)(C)C(Nc1c(F)cnc(-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)F)n1)CS(=O)(=O)C	1344
+CC(C)(C)C(CSC)Nc1nc(ncc1F)Cl	3424
+CC(C)(C)C(CS)Nc1c(F)cnc(Cl)n1	1113
+CC(C)(C)C(CS(=O)(=O)C)Nc1nc(ncc1F)Cl	991
+CC(C)(C)C(Cc1ccc(c(OCc2ccccc2)c1)OC)NC=O	707
+CC(C)(C)C(Cc1cc(c(OC)cc1)OCc2ccccc2)N	7105
+CC(C)(C)C1Cc2c(C=N1)cc(c(c2)OCc3ccccc3)OC	2742
+CC(C)(C)C(Nc1c(cnc(-c2c[nH]c3ncc(cc23)F)n1)F)Cn4cc(nn4)CO	392
+CC(C)(C)C(=O)N(C1CC(C#N)N(C(OC(C)(C)C)=O)C1)C2CCC(CC2)C	143
+CC(C)(C)C(N(c1ccc(cc1)CNc2c3c(CCN(C(C(F)(F)F)=O)CC3)ccc2Cl)C)=O	1627
+CC(C)(C)C(C)NC(Nc1cc(OC)cc(OC)c1)=C(S(=O)(=O)C)C#N	7106
+CC(C)(C)C(NCCc1c(oc(n1)COc2ccccc2)C(=O)OCC)C	285
+FC(F)(F)C(C)Oc1c(C2CC2)cnc(C(NC(C(C)(C)C)C#N)=O)c1	81
+CC(C)(C)C(C(NC)=O)NC(=O)c1c2n(CCN(C(OC(C)(C)C)=O)C2)c(n1)Br	4040
+CC(C)(C)C(NC(=O)c1c2cccc(c2n(n1)Cc3ccc(cc3)C#N)F)C(=O)NCCO	712
+C[Si](C)(C)CCOCn1cc(c2nc(C3CC3)cnc12)C(NC(C(N4CCC(CC4)(O)c5ccccc5)=O)C(C)(C)C)=O	2717
+CC(C)(C)C(CO)Nc1c(F)cnc(Cl)n1	40
+CC(C)(C)C(NC(c1nn(c2C3CC3Cc12)-c4cc(Br)ccn4)=O)CO	81
+CC(C)(C)OC(=O)NC1C(N(c2c(cccc2)N(C1)C(=O)C(C)(C)C)CC(c3ccccc3C)=O)=O	4041
+CC(C)(C)C(=O)N1c2ccccc2N(CC(c3ccccc3C)=O)C(C(C1)NC(Nc4cccc(c4)C)=O)=O	1631
+CC(C)(C)C(NC(=O)OC)C(NC(Cc1ccccc1)C(O)CC(N)Cc2ccccc2)=O	12
+CC1(C)C(C)(C)OB(O1)c2ccc(C(N3CC4CC3CN4C(C(NC(=O)c5[nH]c6ccccc6c5)C(C)(C)C)=O)=O)nc2	234
+CC(C)(C)C(C(NC)=O)NC(c1nc(n2CCN(S(=O)(=O)CC)Cc12)-c3ccccc3)=O	112
+CC(C)(C)C(NC(c1ccccc1C)=O)C(=O)N	83
+CC(C)(C)C(NC(C(NCC)C(C)(C)c1ccccc1)=O)C(N(C(C(C)C)C=C(C)C(=O)O)C)=O	108
+CC(C)(C)C(C(NC(C1CCCCC1)C(NC)=O)=O)N	84
+CC(C)(C)C(NC(OC(C)(C)C)=O)C(NC(C(=O)NC)C1CCCCC1)=O	248
+CC(C)(C)OC(=O)NC(C(C)(C)C)C(=O)N1C(C(NC(Cc2ccc3ccccc3c2)C(=O)OC)=O)C(CC1)N=[N+]=[N-]	348
+CC(C)(C)C(C(=O)N)NC(=O)OCc1ccccc1	83
+CC(C)(C)C(NC(=O)c1ccc([n+](c1)[O-])-c2c(c(F)cc(C(NC3CC3)=O)c2)C)C	103
+CC(C)(C)C(NC(c1ccc(cc1)-c2cnc3n(n2)c(C4(CC4)c5ccc6ncsc6c5)nn3)=O)C(O)=O	32
+CC(C)(C)C(C(=O)N(C)C)NC(c1ccc(cc1)-c2cnc3n(n2)c(C4(CC4)c5ccc6ncsc6c5)nn3)=O	10
+CC(C)(C)C(NC(c1ccc(cc1)-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)=O)C(O)=O	32
+CC(C)(C)c1n2ccnc(Cl)c2c(-c3cc4nc(-c5ccccc5)ccc4cc3)n1	4042
+CC(C)(C)C(NC(c1c2c(C3CC3C2)n(-c4nccc(C#N)c4)n1)=O)CO	7107
+CC(C)(C)C(NCCc1nc(COc2ccccc2)oc1C(O)=O)C	6
+CC(C)(C)C(=O)NCc1c(c(C(O)=O)c(cc1)Cl)F	6
+CC(C)(C)C(C)N(C(=O)OCc1ccccc1)Cc2ccc(c(c2)[N+]([O-])=O)NCOC(=O)N3CCCC3	66
+CC(C)(C)C(Nc1c(-c2c(n(nc2C#N)CC)CC)ccc(c1)OC)=O	800
+c1cc(ccc1)C(=O)c2c(N)nccc2Cl	1189
+CC(C)(C)C(Nc1ncc(-c2ccccc2)cc1-c3[nH]c4ccccc4n3)=O	1637
+C1CC1c2nc(c(s2)-c3nc(ncc3)SC)-c4cc(cc(c4F)N)Cl	685
+C1COCCN1c2cnc3c(cc(C(=O)c4c(F)c(cc(F)c4F)N)cc3)n2	685
+CC(C)(C)C(Nc1nc(ncc1F)-c2c[nH]c3ncc(cc23)F)CS(=O)(=O)C	392
+CC(C)(C)C(CC(OC)=O)Nc1nc(ncc1F)-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)F	1344
+CC(C)(C)C(Nc1cnc(N2CCN(CC2)C)cc1-c3c(C)cccc3)=O	1164
+CC(C)(C)C(Nc1c(F)c(c(F)c(c1)F)C(c2cc3c(cc2)ncc(N4CCOCC4)n3)=O)=O	335
+BrC1(Br)C2C1COc3c(c(N)cc(c23)F)C(OC)=O	685
+Nc1ccc2c(nc3CCCn23)c1C(=O)OC	685
+CC(C)(C)C(=O)Nc1c([N+](=O)[O-])cc(cc1-c2ncccn2)Br	31
+CC(C)(C)C(Nc1c(ccc(-c2nc3ccc(nn3c2)-c4c(ccnc4)C(F)(F)F)c1)C)=O	2512
+CC(C)(C)C(Nc1ccc(c(C(c2cc3c(cc2)nccn3)O)c1)F)=O	257
+CC(C)(C)C(=O)Nc1c(c2c(C=CCO2)c(F)c1)C(=O)OC	1318
+C1CN(CCC1Nc2c(cnc(c2)N)Cl)C	1189
+C1COCCN1c2cnc3ccc(cc3n2)C(c4cccc(c4)N)=O	685
+CC(C)(C)C(Nc1ccc(c(C)n1)COCC)=O	481
+CC(C)(C)C(=O)Nc1c(C(c2cccnc2)=O)cc(cc1)Cl	814
+c1cc2c(cc1C(c3cc(ccc3F)N)=O)nccn2	685
+CC(C)(C)C(=O)Nc1c(c(C(O)c2cc3c(cc2)nccn3)c(cc1)F)F	1641
+CC(C)(C)C(Nc1ccc(F)c(c1)C(c2cc3c(nccn3)cc2)=O)=O	335
+Cc1nc(ccc1COCC)N	1189
+c1cc(ccc1N)-c2ncccn2	685
+CC(C)(C)C(Nc1ccc(cc1)-c2ncccn2)=O	345
+CC(C)(C)C(Nc1ccc(cc1)B(O)O)=O	422
+CC(C)(C)C(=O)N(C)c1ccc(cc1)C#N	239
+CC(C)(C)C(Nc1ccc(Cl)cc1C(O)c2cnccc2)=O	7108
+CC(C)(C)C(=O)Nc1ccc(cc1)Oc2cc3nc(cnc3cc2)N4CCN(CC4)C(=O)OC(C)(C)C	4043
+CC(C)(C)C(=O)Nc1cccc(c1)C(O)c2ccc3ncc(Cl)nc3c2	257
+CC(C)(C)C(=O)Nc1c(cccc1)-c2c(C)n(Cc3ccccc3)nc2C#N	800
+C1CN(CCN1C)c2cc(-c3c(C)cccc3)c(cn2)N	4032
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cc(cnc3)NC(=O)C(C)(C)C	156
+CC(C)(C)C(Cn1cc(nn1)CO)Nc2nc(ncc2F)-c3c4cc(cnc4n(S(=O)(=O)c5ccc(cc5)C)c3)F	1344
+CC(C)(C)C(C=CC(OCC)=O)Nc1nc(ncc1F)Cl	1667
+n1c(N)nc2[nH]c3c(cccc3)c2c1Nc4cccc(c4)Br	4044
+CC(C)(C)C(Nc1cc(Cl)c(cn1)Cl)=O	395
+CC(C)(C)C(Nc1c(C(c2ccccc2)=O)c(ccn1)Cl)=O	7109
+CC(C)(C)C(CN1c2nc(C)nn2C(CCC)=C(C1=O)Cc3ccc(cc3)-c4ccccc4C#N)OC	76
+CC(C)(C)C(CNC(=O)c1ncc(C2CC2)c(c1)OCC3CC3)=O	86
+CC(C)(C)[Si](C)(C)OC1CC(C1)O	4033
+CC(C)(C)C(=O)OCC1CCNCC1	2
+CC(C)(C)C(OCOC(=O)C(Cc1cc2c(nc(cc2)-c3c(cccc3Cl)Cl)cc1)NC(c4c(Cl)cccc4Cl)=O)=O	7110
+CC(C)(C)C(=O)OCN1C=Nc2cc(OCc3ccccc3)c(cc2C1=O)OC	7111
+C1CC(CCN1C)Oc2cc(OC)cc3ncnc(c23)O	1666
+c12cc(cc(OCCCl)c1c(ncn2)O)OC	1666
+CC(C)(C)C(OCN1C=Nc2c(C1=O)c(OCCCl)cc(OC)c2)=O	1668
+CC(C)(C)C(OCn1cc(-c2ccc(nc2C)Cl)nn1)=O	7112
+CC(C)(C)C(=O)OCn1nnc(-c2ccc(C(OCC)OCC)cn2)c1	2743
+Cc1c(ccc(n1)Cl)-c2[nH]nnc2	4035
+CC(C)(C)C(OC1=C(c2c(nc(cc2)Cl)Cl)C(N(c3nccnc13)CC(F)F)=O)=O	7113
+CC(C)(C)C(=O)c1nn(c2cc(OC)ccc12)CC(=O)OCC	1458
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)C(C(C)(C)C)(c3cncnc3)O)C	17
+CC(C)(C)Cc1cc(Br)c(CC(C)C(=O)O)cc1	165
+CC(C)(C)C(c1c(cc(I)cc1)[N+](=O)[O-])OC(=O)C2CC3CCC2(C)C3(C)C	204
+CC(C)(C)C(COc1ccc(cc1)F)(O)C(C)(F)n2cncn2	626
+CC(C)(C)C(COC)(CO)COC(C)(C)C(C)C	4045
+C1OC2(OCC1(CO2)C(C)(C)C)CCCCCC#C	7114
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)Nc2ccc(cc2)C(O)=O	7115
+CC(C)(C)C1=CC(C=C(C(C)(C)C)C1=O)=Nc2ccc(cc2)C(=O)O	7116
+CC(C)(C)C=1ON(C(=O)C=1)c2ccc(cc2[N+]([O-])=O)S(=O)(=O)CCO	7117
+CC(C)(C)c1nc2n(c(c(c(C)c2C#N)-c3ccccc3)Cl)n1	7118
+CC(C)(C)C1C(=C(C(N1Cc2cc(Cl)c(cc2)F)=O)C=3N=S(c4c(ccc(N)c4)N=3)(C)=O)O	0
+CC(C)(C)C1C(=C(C=2N=S(C)(c3cc(ccc3N=2)NS(=O)(=O)C)=O)C(N1Cc4cc(Cl)c(cc4)F)=O)O	80
+CC(C)(C)C1CC(C1)=O	2744
+CC(C)(C)C1CCC(CC1)=Cc2ccc3cc(CN4CCC(CC4)C(=O)OCC)ccc3c2	7119
+CC(C)(C)C1CCC(CC1)=Cc2ccc3cc(ccc3c2)CN4CCC(CC4)C(O)=O	3
+CC(C)(C)C1CCC(CC1)=C	2114
+CC(C)(C)C1CCC(CC1)C(NC(CC)c2nnc(-c3cc(ccc3)[N+](=O)[O-])nc2O)=O	68
+CC(C)(C)C1CCC(CC1)NC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl	14
+CC(C)(C)C1CCC(CC1)NC(=O)c2ccc(cc2)Oc3cc4c(cc3Cl)C(C(=O)O)CCO4	3
+CC(C)(C)C1CCC(CC1)Oc2cccc3cc(ccc23)C=O	1669
+CC(C)(C)C1CCC(CC1)Oc2ccc3c(c2)ccc(c3)CNC45CCC(CC4)(C(C5)O)C(=O)O	3
+CC(C)(C)C1CCC(CC1)Oc2ccc3cc(ccc3c2)CNCCC(=O)NS(=O)(=O)C	42
+CC(C)(C)C1CCC(CC1)Oc2ccc3c(ccc(c3)C=O)c2	146
+CC(C)(C)C1CCC(CC1)Oc2cccc3cc(ccc23)CNC4C(C)(C)C(C4)C(=O)OCC	42
+CC(C)(C)C1CCC(CC1)Oc2cccc3cc(CNC4C(C)(C)C(C(O)=O)C4)ccc23	3
+CC(C)(C)C1CCC2(CC1)CC(CN)(CO2)O	51
+CC(C)(C)C1CCN(CC1)CCCNC(Nc2cc(N3C(=C(C)NC(C)=C3C(OC)=O)C(OC)=O)ccc2)=S	1167
+CC(C)(C)C1CCc2c(cc3c(n2)sc(c3)C(NC(c4cccc(Br)c4)CN)=O)C1	18
+CC(C)(C)C1CCc2nc3sc(cc3cc2C1)C(Cl)=O	2115
+CC(C)(C)C1CCc2c(cc3c(n2)sc(C(NC(CN=[N+]=[N-])c4cc(ccc4)Br)=O)c3)C1	1256
+CC(C)(C)C1Cc2c(cc(c(OCc3ccccc3)c2)OC)C4CC(=O)C(=CN14)C(=O)OCC	2745
+CC(C)(C)C1N2C(c3cc(OC)c(OCc4ccccc4)cc3C1)=CC(=O)C(C(OCC)=O)=C2	2746
+CC(C)(C)C1Cc2c(C3=CC(=O)C(C(OCC)=O)=CN13)cc(c(c2)O)OC	16
+CC(C)(C)C1OCCC(=O)C1	86
+CC(C)(C)c1nc(c2cc(I)ccc2n1)O	4046
+CC(C)(C)C1CC(=O)C1(Cl)Cl	2747
+CC(C)(C)C(c1ccc(cc1[N+](=O)[O-])I)O	7120
+CC(C)(C)Cc1nnc(-c2ccc(cc2)[N+](=O)[O-])o1	877
+CC(C)(C)CC(=O)Nc1c(C)c2c(OCC2c3ccc(cc3)C(C)(C)O)c(c1C)C	1033
+CC(C)(C)CC(=O)Nc1c(c(c2c(C(CO2)c3ccc(cc3)C=O)c1C)C)C	494
+CC(C)(C)CC(=O)Nc1c(c(c2c(C(c3ccc(c(OCC(OCC)=O)c3)C(C)C)CO2)c1C)C)C	52
+CC(C)(C)CC(=O)Nc1c(c(c2c(C(c3ccc(cc3)C(C)O)CO2)c1C)C)C	449
+CC(C)(C)CC(=O)Nc1c(c(c2c(C(c3ccc(c(OCCO)c3)C(C)C)CO2)c1C)C)C	44
+CC(C)(C)CC(=O)Nc1c(C)c2C(COc2c(c1C)C)c3ccc(cc3)C(C)=O	155
+CC(C)(C)CC(=O)Nc1c(c(C)c2c(c1C)C(CO2)c3cc(O)c(cc3)C(C)C)C	5
+CC(C)(C)CC(=O)Nc1c(c2c(OCC2c3ccc(c(OC)c3)C(C)=O)c(c1C)C)C	94
+CC(C)(C)CC(=O)Nc1c(c(c2c(c1C)C(CO2)c3cc(OC)c(C(C)C)cc3)C)C	1382
+CC(C)(C)CC(=O)Nc1c(c2c(OCC2c3ccc(C(=C)C)c(OC)c3)c(c1C)C)C	2748
+CC(C)(C)CC(C)(C)c1c(cc2C(CC(Oc2c1)(COc3ccc(cc3)CC(Cl)C(OCC)=O)C)=O)OC(C)=O	1659
+CC(C)(C)CC(C)(C)c1c(cc2C(CC(Oc2c1)(COc3ccc(cc3)CC4SC(=O)NC4=O)C)=O)OC(C)=O	7121
+CC(C)(C)CC(C)(C)c1c(cc2C(CC(Oc2c1)(C)COc3ccc(cc3)N)=O)OC(C)=O	0
+CC(C)(C)Cc1nc2c(ccc(S(=O)(=O)C(C)C)c2)n1CC3CC3	849
+CC(C)(C)CC(Nc1c(C)cccc1C)=O	26
+CC(C)(C)CC(=O)N1CCC2(CCN(c3ccc(cc3)CC(F)(F)F)C2=O)CC1=O	4047
+CC(C)(C)CC(=O)N1CCC2(C(N(CC2)c3ccc(cc3)OC(F)(F)F)=O)CC1=O	4047
+FC(F)(F)c1cc(Br)cc(Cl)c1NC(=O)CC(C)(C)C	26
+CC(C)(C)CC(Nc1c(cc(cc1OC)Br)OC)=O	26
+CC(C)(C)CC(Nc1ccc2c(c1)cc(C(=O)OCC)n2-c3ccccc3)=O	26
+CC(C)(C)CC(=O)NNC(c1ccc(cc1)[N+](=O)[O-])=O	1086
+FC(F)(F)c1ccc(cc1)CNc2ccc(C)c(c2C)NC(=O)CC(C)(C)C	208
+CC(C)(C)CC(Nc1c(C)c(N)ccc1C)=O	0
+CC(C)(C)CC(Nc1c(C)ccc([N+]([O-])=O)c1C)=O	77
+CC(C)(C)CC(=O)Nc1c(OC)cc(cc1OC)N2CCc3c(C2)cccc3	79
+CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(n2-c3ccccc3)C(Nc4ccc(cc4)NC(OC(C)(C)C)=O)=O	187
+CC(C)(C)CC(Nc1cc2cc(n(-c3ccccc3)c2cc1)C(=O)O)=O	6
+CC(C)(C)CC(c1ccc(cc1)S)=O	3960
+CC(C)(C)CCc1ccc(cc1)S	165
+CC(C)(C)CC1C(c2cnc(Cl)cc2)(C(C(C(O)=O)N1)c3cccc(Cl)c3)C#N	32
+CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O	9
+CC(C)(C)CC1NC(C(c2cccc(Cl)c2F)C13c4cc(F)c(Cl)cc4NC3=O)C(=O)Nc5ccc(cc5OC)C#N	33
+CC(C)(C)CC1NC(C(C12c3c(cc(cc3)Cl)NC2=O)c4cc(Cl)cc(c4)F)C(Nc5c(cc(cc5)C#N)OC)=O	33
+CC(C)(C)CC1NC(C(C12c3c(cc(cc3)Cl)NC2=O)c4cc(Cl)cc(c4)F)C(Nc5ccc(C(N)=O)cc5OC)=O	216
+CC(C)(C)CC1NC(C(NCCC(O)CO)=O)C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3	265
+CC(C)(C)CC1NC(C(Nc2c(cc(C(N)=O)cc2)OC)=O)C(c3cccc(Cl)c3F)C14c5cc(F)c(Cl)cc5NC4=O	216
+CC(C)(C)CCn1c2CCCC(=O)c2c3ccc(cc13)OC	339
+CC(C)(C)CCC(=O)N1CCN(CC1)c2cc(ccn2)C(NO)=N	181
+CC(C)(C)CCC(N1CC(Oc2c(cccc2)Cl)=CC1=O)C(O)=O	4
+CC(C)(C)CCC(C(Nc1ccn(CC(CO)O)n1)=O)N2CC(Oc3c(cccc3)Cl)=CC2=O	265
+CC(C)(C)CCC(N1CC(Oc2c(cccc2)Cl)=CC1=O)C(Nc3ccn(CC4OC(C)(C)OC4)n3)=O	142
+CC(C)(C)CCCNCc1ccc(Oc2ncc(C(=O)N)nc2)c(OC)c1	42
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C	2749
+CC(C)(C)CCNC(Nc1cc(c(Br)cc1F)-c2c(nc3c(cnc(SC)n3)c2)C)=O	2749
+CC(C)(C)CCNC(Nc1c(F)cc(c(c1)-c2c(nc3cc(NC)ncc3c2)C)F)=O	2749
+CC(C)(C)CCN1C(=O)C(C=2NS(=O)(=O)c3c(ccc(NS(=O)(=O)C=C)c3)N=2)=C(C(=N1)c4cccs4)O	7122
+CC(C)(C)CCN1C(=O)C(C2=Nc3c(S(=O)(=O)N2)cc(cc3)N)=C(C(=N1)c4cccs4)O	7123
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C	9
+CC(C)(C)CCN1CCC(CC1)C(=O)O	3
+CC(C)(C)CCN1CCN(CC1)C(=O)CCc2c(cc(C(=O)N3CCc4c([nH]c(C)n4)-c5ccccc35)cc2)C	610
+CC(C)(C)CCN1CCN(CC1)C(=O)CCc2ccc(C(=O)O)cc2C	1
+CC(C)(C)CCN1C(C(=C(C(=N1)c2cccs2)O)C3=NS(=O)(=O)c4c(N3)ccc([N+](=O)[O-])c4)=O	7124
+CC(C)(C)CCNC(C(CC(O)C(NC(=O)c1cc(O)cc(N2CCCC2=O)c1)Cc3ccccc3)C)=O	14
+CC(C)(C)CCNC(N(N=O)CCCl)=O	7125
+CC(C)(C)CCNC(Nc1c(F)cc(C)c(c1)-c2c(nc3c(cnc(N)n3)c2)C)=O	4048
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(nc3cc(N)ncc3c2)C)c1)F)=O	1670
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(C)nc3c(cnc(NC(C)=O)c3)c2)c1)F)=O	7126
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(nc3cc(NC(OC(=C)C)=O)ncc3c2)C)c1)F)=O	7127
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(nc3c(c2)cnc(c3)NC(=O)N(C)C)C)c1)F)=O	7128
+CC(C)(C)CCNC(Nc1cc(-c2cc3cnc(NC)nc3nc2C)c(Br)cc1F)=O	785
+CC(C)(C)CCc1c(OCc2cccc(C(CC(=O)O)C3CC3)c2)ccc(-c4cc(ccc4F)OC)c1	3
+CC(C)(C)Cn1c2c(cc(OCC=C)cc2)cc1	557
+CC(C)(C)COc1cnc(cc1)Cl	788
+CC(C)(C)COc1ccc(cc1)N2C(C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)N=C2CC)=O	116
+CC(C)(C)OC(NC(C(O)CC(C)C(=O)NCC(C)(C)C)CN1CC(=O)N(CC1(C)C)c2cc(F)ccc2Cl)=O	248
+CC(C)(C)OC(NC(CN1C(C)(C)CN(C(C1)=O)c2c(C)cccc2)C(CC(CC)C(NCC(C)(C)C)=O)O)=O	248
+CC(C)(C)CNCc1cc2c(cc1)n(CC3N(CCC3)C(=O)CC#N)c(NC(c4sc(C(F)F)cc4)=O)n2	42
+CC(C)(C)CNS(=O)(=O)c1c(ccc(Oc2c(C)cc(cc2C)[N+]([O-])=O)c1)OCc3ccccc3	71
+CC(C)(C)CNC(=S)Nc1cccnc1	7129
+c1cc(ccc1)C(c2ccccc2)(CNC(OC(C)(C)C)=O)CNCC(C)(C)C	110
+CC(C)(C)CN(c1c([N+](=O)[O-])c(ncn1)Nc2c(C)ccc(C(NC)=O)c2)C	73
+CC(C)(C)CN(C)c1c(c(ncn1)Nc2cc(C(NC)=O)ccc2C)NC(=O)C	1616
+CC(C)(C)CN(C)c1ncnc(Nc2cc(C(NC)=O)ccc2C)c1N	193
+CC(C)(C)CN1c2c(C(c3c4c(ccc3)cccc4)SC(C1=O)CC#N)cc(cc2)Cl	143
+CC(C)(C)CN1C(=O)C(OC(c2cc(Cl)ccc12)c3cccc(c3OC)OC)CC#N	143
+CC(C)(C)CN1c2ccccc2CN(C(CC(=O)NCc3c(F)cccc3)C1=O)C(C4=CC([N+](=O)C=C4)=C=[N-])=O	7130
+CC(C)(C)CN1c2ccc(Cl)cc2C(c3cccc(c3OC)OC)OC(C1=O)Cc4noc(CCCCC(=O)OC)n4	2750
+CC(C)(C)CN1C(=O)C(OC(c2c1ccc(Cl)c2)c3cccc(c3OC)OC)CC(NO)=N	409
+CC(C)(C)CN1C(=O)C(CC(=O)N)SC(c2c3c(ccc2)cccc3)c4cc(ccc14)Cl	83
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3cc(CC#N)ccc3C)n2)=O	163
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3cc(ccc3C)CCN)n2)=O	51
+CC(C)(C)CN1C(N(C)c2nc(-c3c(C)ccc(CO)c3)ccc12)=O	88
+CC(C)(C)CN1C(N(C)c2nc(-c3c(ccc(c3)COC)C)ccc12)=O	49
+CC(C)(C)CN1C(=O)N(C)C(=O)C=C1N	3996
+CC(C)(C)CN1C(=O)C(CC(N)=O)OC(c2cccc(c2OC)OC)c3c1ccc(Cl)c3	83
+CC(C)(C)CN1c2ccc(cc2C(SC(Cc3nnn[nH]3)C1=O)c4cccc5ccccc45)Cl	4049
+CC(C)(C)CN1C(=O)C(N(Cc2ccccc12)C(=O)c3cc[n+](cc3)[O-])CC(=O)NCc4c(F)cccc4	103
+CC(C)(C)CN1c2c(CN(C(CC(=O)NCc3c(F)cccc3)C1=O)C(c4ccnc(C#N)c4)=O)cccc2	7131
+CC(C)(C)CN(C)c1ncnc(Cl)c1[N+]([O-])=O	54
+CC(C)(C)CN1C(N)=CC(NC1=O)=O	7132
+CC(C)(C)CNC(c1ccc(-c2cc(C(=O)NCC(O)C)cc(F)c2C)c(C(=O)N)c1)=O	14
+CC(C)(C)CNC(=O)c1cc(C(N)=O)c(-c2c(c(cc(c2)C(=O)O)F)C)cc1	153
+CC(C)(C)CN1C(N(c2cccnc2)C(=O)C1=O)=S	7133
+CC(C)(C)CNC(=O)c1cc(c(cc1)-c2cc(C(OC(C)(C)C)=O)cc(F)c2C)C(N)=O	169
+CC(C)(C)CNCc1cc2c(cc1)n(c(NC(c3sc(C(F)F)cc3)=O)n2)CC4CCCN4C(=O)C(=CC(C)C)C#N	847
+CC(C)(C)CNS(=O)(=O)c1c(ccc(Oc2c(cc(cc2C)N)C)c1)OCc3ccccc3	0
+CC(C)(C)CNc1c(cnc(n1)C#N)C#CCN2Cc3ccccc3CC2	7134
+CC(C)(C)COC(c1cc(c(N2CCC(CC2)C(=O)OC(C)(C)C)nc1C)C#N)=O	342
+CC(C)(C)COS(=O)(=O)c1c(C)ccc(c1)[N+]([O-])=O	1226
+CC(C)(C)COC(NC1CN(CC1)c2nc(-c3c(cccc3)O)nc4c2ccc(c4)C)=O	101
+CC(C)(C)COC(c1cc(C#N)c(nc1C)N2CCC(CC2)C(=O)O)=O	32
+CC(C)(C)COS(=O)(=O)c1cc([N+]([O-])=O)ccc1C=Cc2ccc(cc2)[N+](=O)[O-]	1265
+CC(C)(C)COS(=O)(=O)c1c(CP(OCC)(OCC)=O)ccc(c1)[N+](=O)[O-]	590
+CC(C)(C)COc1ccc(cc1)N2C(=O)C(=C(CCC)N=C2CC)Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4	1671
+CC(C)(C)COc1cnc(cc1)NN	383
+CC(C)(C)COc1cnc(N2NC=C(C2=O)n3nncc3)cc1	4050
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3nc(CC(C)(C)C)c(cc3)-c4cc(OC)ccc4F	7135
+CC(C)(C)Cc1nc(CCl)ccc1-c2cc(OC)ccc2F	3961
+CC(C)(C)OC(=O)NCc1c(c(CO)c(nc1CC(C)(C)C)C)-c2ccc(cc2)C	2751
+CC(C)(C)Cc1c(ccc(n1)COc2cccc(c2)C(CC(=O)O)C3CC3)-c4cc(OC)ccc4F	4
+CC(C)(C)Cc1cn(cn1)S(=O)(=O)N(C)C	2752
+CC(C)(C)Cc1ccc(c(Br)c1)CC(C)C(=O)Cl	130
+CC(C)(C)Cc1ccc2C(=O)c3ccccc3C(c2c1)=O	358
+CC(C)(C)Cc1ccc(cc1)C(c2ccccc2C(=O)O)=O	1943
+CC(C)(C)Cc1cn(c(n1)C=O)S(=O)(=O)N(C)C	1378
+CC(C)(C)Cc1c2c(oc1)cc(O)cc2	5
+CC(C)(C)Cc1n(c2c(cc(C(O)=O)cc2)n1)CC3CC3	1
+CC(C)(C)Cc1n(c2ccc(cc2n1)CO)CC3CC3	49
+CC(C)(C)Cc1nc2c(ccc(CCl)c2)n1CC3CC3	229
+CC(C)(C)Cc1nc(C2(CC2)N)cs1	7136
+CC(C)(C)OC(NC(Cc1cc(F)cc(F)c1)C(O)CNC2(CC2)c3csc(n3)CC(C)(C)C)=O	122
+CC(C)(C)Cc1nc(COc2cc(cc(CCC(=O)O)c2)OC)ccc1-c3cc(ccc3F)OC	3
+CC(C)(C)Cc1c(C#N)c(c(CO)c(n1)C)-c2ccc(cc2)C	4051
+CC(C)(C)Cc1nc(ccc1-c2cc(ccc2F)OC)COc3c(F)ccc(C(CC(=O)O)C4CC4)c3	4
+CC(C)(C)Cc1nc2cc(ccc2n1CC3CC3)CSC(C)C	1672
+CC(C)(C)Cc1onc(c1)-c2onc(c2C3CC3)C(CCCO)CC(Nc4ccc(Cl)cc4Cl)=O	118
+CC(C)(C)Cc1onc(c1)-c2c(c(C(CCCOCc3ccccc3)CC(Nc4ccc(Cl)cc4Cl)=O)no2)C5CC5	33
+CC(C)(C)Cc1onc(c1)-c2c(C3CC3)c(no2)C(CC(Nc4ccc(Cl)cc4Cl)=O)CCC(O)=O	4052
+CC(C)(C)c1cc2ccc3cccc4ccc(c1)c2c34	2753
+CC(C)(C)c1ccc(cc1)NC(=O)C	2753
+CC(C)(C)Cn1ccc2c(CC=C)c(ccc12)O	4053
+CC(C)(C)Cn1c(nc2cnc(C#N)nc12)C	738
+CC(C)(C)Cn1ccc2c(CCC)c(ccc12)O	732
+CC(C)(C)c1cc(c(c(S(=O)(=O)NC(C)(C)C)c1)OC)[N+](=O)[O-]	71
+CC1(C)OB(OC1(C)C)c2c3c(ccc2CNC(C)(C)C)cccc3	370
+CC(C)(C)Nc1nc(SC)ncc1C(OCC)=O	40
+C[Si](C)(C)CCOCn1c2nc(C)c(Br)nc2c(c1)C(NC(C)(C)C)=O	484
+C[Si](C)(C)CCOCn1c2ncc(nc2c(C(NC(C)(C)C)=O)c1)Br	484
+CC(C)(C)Nc1nc2c(-c3[nH]c4CCNC(c4c3)=O)cccc2nc1C	3726
+CC(C)(C)Nc1nc(c(cc1F)C#N)Cl	70
+CC(C)(C)Nc1nc(c(cn1)Br)SC	96
+CC(C)(C)Nc1cc(C(F)(F)F)c([N+]([O-])=O)cc1	60
+CC(C)(C)NC=1C(C(=O)C=1OCC)=O	7137
+CC(C)(C)NCC(O)COc1ccccc1-c2ccc(nn2)Cl	122
+CC(C)(C)NCc1c(cc(cc1)-c2cnc3ccc(nn23)NCCCC)F	42
+CC(C)(C)NC(=O)CC1CCN(CC1)c2nc(ccc2NC(=O)c3cc(Cl)ccc3)S(=O)(=O)C	9
+CC(C)(C)NS(=O)(=O)c1cc(S(=O)(=O)Cl)ccc1	71
+CC(C)(C)NS(=O)(=O)c1cc(Br)cnc1N	1362
+CC(C)(C)NS(=O)(=O)c1cn(C)c(C(OC)=O)c1	1362
+CC(C)(C)NC(c1cncc(c1)Oc2c(cc(cc2)[N+](=O)[O-])Cl)=O	56
+CC(C)(C)NC(=O)C(c1cn(c(C(Nc2cc(c(F)cc2)C)=O)c1)C)=O	2754
+CC(C)(C)Nc1nc(cc2ccnc(O)c12)Cl	4054
+CC(C)(C)Nc1ncccc1C(=O)Nc2c(Nc3cccc(c3F)F)ccnc2	182
+CC(C)(C)NC1=C(C(=O)C1=O)Nc2c(C)cccc2O	993
+CC(C)(C)Nc1n(c2c(cc(c(c2)Cl)Cl)n1)C3CC(CO)C(O)C3O	7138
+CC(C)(C)Nc1nc(nc(Cl)c1)N	40
+CC(C)(C)NC=1N(CC)C(=O)c2cccc(Br)c2N=1	7139
+CC(C)(C)NC(c1cc(-c2ncc(C)cc2)n(-c3cccnc3)n1)=O	81
+CC(C)(C)Nc1ccc(cc1[N+]([O-])=O)Br	60
+CC(C)(C)Nc1cc(Br)ccc1[N+]([O-])=O	60
+CC(C)(C)NC(=O)c1cc(CCl)ccc1	93
+CC(C)(C)NC(=O)c1ncc(cc1)O	81
+CC(C)(C)NC(=O)C(CC)Oc1ccc2ncc(Br)cc2c1	9
+CC(C)(C)NC(=O)c1cnn2ccc(nc12)N3CCCC3c4cc(ccc4F)F	1339
+CC(C)(C)Nc1cc(nc(Cl)n1)-c2ccccc2	40
+CC(C)(C)Nc1ccccc1	250
+CC(C)(C)NCC(O)COc1ccc2c(C(=O)C=C(c3cc(c(cc3)OCc4ccccc4)OCc5ccccc5)O2)c1	122
+c1cc(ccc1)COc2cc(cc(OCc3ccccc3)c2)C4=CC(c5c(O4)cc(cc5)OCC(O)CNC(C)(C)C)=O	122
+CC(C)(C)NCC(COc1ccc(cc1)C2(C(N(C)c3c(S2)cccc3)=O)C#N)O	122
+CC(C)(C)Nc1ccc(cc1)[N+](=O)[O-]	60
+CC(C)(C)NC(=O)C1(CCC1)c2cc3c(nc(nc3C(N4Cc5ccccc5C4)=O)N)cc2	9
+CC(C)(C)NCCCOc1c(cccc1)C(C)=O	284
+CC(C)(C)NC(=O)c1c(N)c2c(nc(-c3ccccc3)nc2-c4cccc(N)c4)s1	227
+c1ccccc1C(c2ccccc2)N3CCN(CC3)C(C4C(CNC(C)(C)C)C4)=O	110
+CC(C)(C)N(C(=O)C(OCC)=O)CCCCCC=O	24
+CC(C)(C)N(C(=O)C(OCC)=O)CCCCCC#C	1596
+CC(C)(C)N1C(C(=C(S1(=O)=O)c2ccccc2)NCCCOc3cnccc3)=O	458
+CC(C)(C)N1C(C(C(=O)NCC(=O)O)C(=O)N(Cc2c(cccc2)Br)C1=O)=O	3
+CC(C)(C)N1N=CC(=C(CO)C1=O)Cl	7140
+CC(C)(C)N1N=CC(=C(Cl)C1=O)OCc2ccc(cc2)OCC(O)C	7141
+CC(C)(C)N1C(C(=C(S1(=O)=O)c2ccccc2)NCCCOc3ccc[n+]([O-])c3)=O	103
+CC(C)(C)N1C(N(C2CCN(CC2)Cc3cnc(cc3)Oc4ccc(cc4)-c5[nH]nnn5)C(C1)c6ccccc6)=O	424
+CC(C)(C)N1C=C(C(=O)c2cc(I)ccc12)C(NCc3ccc(cc3)Cl)=O	1267
+CC(C)(C)N1CC(C1)Oc2cc(C)nc3c(c(nn23)-c4ccccc4Cl)-c5ccc(cc5)Cl	4055
+CC(C)(C)NCC(COc1ccc(cc1)N)O	7142
+CC(C)(C)N1CC(C1)O	118
+CC(C)(C)N1C(N(C2CCN(CC2)Cc3cnc(cc3)Oc4ccc(cc4)C#N)C(C1)c5ccccc5)=O	619
+CC(C)(C)N1CCC(CC1)NCc2ccccc2	87
+CC(C)(C)N1CCC(CC1)N	273
+CC(C)(C)N1N=CC(Cl)=C(C1=O)CO[Si](C)(C)C(C)(C)C	947
+CC(C)(C)c1ccc(cc1)CSC2=C(CO)C(=O)N(N=C2)C(C)(C)C	2755
+CC(C)(C)N1N=CC(=C(CO[Si](C)(C)C(C)(C)C)C1=O)SCc2ccc(cc2)C(C)(C)C	7143
+CC(C)(C)N1c2ccc(CCCO)cc2C(=O)C(C(NCc3ccc(cc3)Cl)=O)=C1	213
+CC(C)(C)N1C(CC(N(C1=O)Cc2c(Br)cccc2)=O)=O	1984
+FC(F)(F)c1ccc(cc1)C2N(C(=O)NC(C)(C)C)CCc3c2cccc3OC	384
+CC(C)(C)NC(N1CCn2c(c(-c3ccccc3)c(C#N)c2C1)Cl)=O	384
+CC(C)(C)NC(=O)Oc1ccc(cc1)CCOc2ccc(cc2)C=O	1890
+CC(C)(C)NC(=S)N1CCC(CC1)OC(c2ccccc2Cl)c3ccc(cc3)Cl	1383
+CC1(C)C(C)(C)OB(O1)CCCCC(NC(=O)C)(C(NC(C)(C)C)=O)C2CCN(CC2)C(=O)OCc3ccccc3	7144
+CC(C)(C)NC(CN1C(c2cc(ccc2C=C1c3cc(c(F)cc3)OC)O)=O)=O	686
+CC(C)(C)NC(=O)Oc1ccc(cc1)CCOc2ccc(cc2)CC3SC(NC3=O)=O	534
+CC(C)(C)NC(=O)Oc1ccc(cc1)CCOc2ccc(cc2)C=C3C(NC(=O)S3)=O	377
+CC(C)(C)NC(c1sc2c(c1N)c(nc(n2)-c3ccccc3)-c4cc(ccc4)NC(Oc5ccc(cc5)[N+](=O)[O-])=O)=O	90
+CC(C)(C)NC(c1cc(CN2C(C)(C)CN(C(=O)c3ccc(N)c(c3)F)CC2)ccc1)=O	171
+CC(C)(C)NC(c1c(cc(nc1)Cl)-c2ccccc2C)=O	4056
+CC(C)(C)NC(=O)c1ncc(Oc2ccc(Nc3c4n(CCOC(c5ccccc5)=O)ccc4ncn3)cc2Cl)cc1	1190
+CC(C)(C)NC(=O)c1ncc(Oc2ccc(Nc3ncnc4c3n(CCO)cc4)cc2Cl)cc1	682
+CC(C)(C)NC(=O)c1ncc(Oc2ccc(N)cc2Cl)cc1	0
+CC(C)(C)NC(=O)c1ncc(Oc2ccc(cc2Cl)[N+](=O)[O-])cc1	551
+CC(C)(C)NC(=O)c1n2CCNCc2nn1	4057
+CC(C)(C)NC(C1(CCNCC1)C2CCCCC2)=O	62
+CC(C)(C)NC(=O)C1(CCN(CC1)C(C2C(CC(=C)C2)c3ccc(F)cc3F)=O)C4CCCCC4	10
+CC(C)(C)NC(CCC(N1CCC(CC1)N2c3c(cccc3)CCc4ccccc24)=O)=O	10
+CC(C)(C)NC(CN1C(c2c(C)c(C(=O)OC)sc2N=C1)=O)=O	3917
+CC(C)(C)NC(CN1C(=O)C(N)CC(c2ccccc2)c3c1cccc3)=O	1584
+CC(C)(C)NC(=O)CN1C(C(CC(c2c1cccc2)c3ccccc3)NC(=O)Nc4cccc(C)c4)=O	1631
+CC(C)(C)NC(CN1C(=O)C(CC(c2ccccc12)c3ccccc3)N=[N+]=[N-])=O	4058
+CC(C)(C)NC(CN1C(=O)c2c(C)c(C(O)=O)sc2N=C1)=O	1
+CC(C)(C)NC(Cn1cnc(c1CN)C)=O	18
+CC(C)(C)NC(N1Cc2n(CC1)c(Cl)c(-c3ccccc3)c2C(=O)N)=O	745
+CC(C)(C)NC(N1Cc2n(cc(-c3ccccc3)c2C(N)=O)CC1)=O	1866
+CC(C)(C)NC(c1cncc(c1)Oc2c(cc(N)cc2)Cl)=O	0
+CC(C)(C)NC(c1sc2c(c(nc(n2)-c3ccccc3)-c4cc(ccc4)NC(=O)N(C)C)c1N)=O	468
+FC(F)(F)c1cccc(CNC=2C(C(=O)C=2NC(C)(C)C)=O)c1	993
+CC(C)(C)NC1=Nc2c(cccc2-c3cc4C(NC(c4[nH]3)C)=O)C(=O)N1CC	7145
+CC(C)(C)NCC(O)COc1c(C2=NNC(=O)CC2)ccc(c1)C	2756
+CC(C)(C)NCC(O)COc1cc2C(C=C(Oc2cc1)c3cc(c(cc3)O)O)=O	16
+CC(C)(C)NCC(O)COc1c(C=2CCC(=O)NN=2)cc(cc1)OC	2756
+CC(C)(C)NCC(O)COc1ccc(cc1C2=NNC(=O)CC2)NC(C)=O	2756
+CC(C)(C)NCC(COc1ccc2c(c1)C(C=C(c3ccc(c(c3)OCc4ccccc4)O)O2)=O)O	16
+CC(C)(C)NCCCOc1c(C(=O)C=Cc2c3cc[nH]c3ccc2)cccc1	307
+CC(C)(C)n1nc(CCCO)cc1-c2ccc(cc2)Cl	2514
+CC(C)(C)n1nc(cc1-c2ccc(cc2)F)C(OCC)=O	2054
+CC(C)(C)n1nc(-c2ccncc2)c3CC(C(OC)=O)CCc13	7146
+CC(C)(C)NNC(=O)c1ccccc1	1798
+CC(C)(C)N(C(c1ccncc1)=O)NC(=O)c2ccccc2	7147
+c1cc(ccc1CC2=C(CCCC)N=C(N(c3ncc(cn3)OC)C2=O)C)-c4c(cccc4)S(=O)(=O)N	627
+c1cc(ccc1-c2c(cccc2)S(=O)(=O)N)CN3C(=O)N(N=C3CCCC)c4c(Cl)cccc4	627
+c1cc(ccc1-c2c(cccc2)S(=O)(=O)N)CN3C(=O)N(N=C3CCCC)c4c(ccc(C(=O)OC)c4)Cl	627
+O=S(=O)(c1c(C(OC)=O)ccc(CCNC(=O)OC)c1)N	627
+O=S(=O)(c1c(C)nc(NC(C)=O)s1)N	627
+O=S(=O)(N)c1c(OC)cccc1I	627
+CC(C)(C)NS(=O)(=O)c1c(ccc(CC#N)c1)OC	163
+CC(C)(C)NS(=O)(=O)c1c(cc(CC(C)C)s1)-c2cc(ccc2)Cn3nccc3	309
+CC(C)Cc1sc(S(=O)(=O)NC(OCCCC)=O)c(-c2cc(ccc2)Cn3nccc3)c1	7148
+c1cc(ccc1-c2c(S(=O)(=O)N)sc(c2)CCCC)Cn3ccnc3	627
+CC(C)(C)NS(=O)(=O)c1c(cc(CCCC)s1)-c2ccc(cc2)Cn3ccnc3	1384
+O=S(=O)(N)c1cc(ccc1OC)CC#N	627
+CC(C)(C)NS(=O)(=O)c1cc(ccc1S(=O)(=O)CC)NC=O	753
+CC(C)(C)NS(=O)(=O)c1c(ccc(N)c1)S(=O)(=O)CC	0
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)CNCCCC	370
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CN3C(=O)N(N=C3CCCC)c4c(ccc(C(=O)OC)c4)Cl)cccc1	4059
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CN3C(=O)N(N=C3CCCC)c4c(Cl)cccc4)cccc1	7149
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CN3C(CCCC)=NN(c4c(Cl)ccc([N+](=O)[O-])c4)C3=O)cccc1	4059
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)CN(CCCC)C(Cl)=O	2703
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)NCc3cnc(C)c(O)c3CO	7150
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)NCc3c(CO)c(OCc4cc(ccc4)C#N)c(nc3)C	483
+CC(C)(C)NS(=O)(=O)c1cccc2c(NCCCN)nsc12	4060
+CC(C)(C)NS(=O)(=O)c1cccc(c1)-c2ncn(-c3nc(-c4ccc(c(c4)Cl)Cl)cc(C)n3)c2	7151
+CC(C)(C)NS(=O)(=O)c1c(C(OC)=O)ccc(CCN)c1	51
+O=S(=O)(CC)c1ccc(cc1S(=O)(=O)N)NC=O	627
+O=S(=O)(N)c1cc(Br)cn2c1nc(C)c2	627
+O=S(=O)(c1cc(-c2c3cccc(c3c(NCc4ccccn4)nn2)-c5ccccc5)cnc1)N	627
+O=S(=O)(c1cccc(-c2ncn(-c3nc(-c4ccc(c(c4)Cl)Cl)cc(C)n3)c2)c1)N	627
+CC(C)(C)NS(=O)(=O)c1cccc2c(NCCCNC(=O)c3ccc(cc3)I)nsc12	14
+CC(C)(C)NS(=O)(=O)c1cccc2c(nsc12)NCCCNC(c3ccc(cc3)-c4ccc(cc4)OC)=O	134
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)NCc3c4c(OC(C)(C)OC4)c(nc3)C	2116
+CC(C)(C)NS(=O)(=O)c1ccccc1-c2ccc(-c3ncc(nc3)N)c(c2OC)F	11
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CC3=C(CCCC)N=C(N(c4ncc(cn4)OC)C3=O)C)cccc1	11
+O=S(=O)(N)c1c([Se]C)cccc1	627
+CC(C)(C)NS(=O)(=O)c1cn(C)c(c1)C(=O)Nc2cc(c(cc2)F)C#N	2337
+CC(C)(C)NS(=O)(=O)c1c[nH]cc1	4061
+CC(C)(C)Nc1ncc2CCC3N(CC(C(=O)OC)CC3)C(=O)c2c1	174
+CC(C)(C)n1c2c(cc(-c3cnc(nc3)N)cc2)nc1-c4c(ccc(Cl)c4)-n5nc(cc5)C	1301
+CC(C)(C)n1c2c(nc1-c3c(ccc(Cl)c3)-c4nc(C)no4)cc(-c5cnc(nc5)N)cc2	1301
+CC(C)(C)Nc1c(N)cc(cc1)-c2cnc(nc2)N	0
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3cc(ncn3)OC4CCNCC4	2
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3ncnc(OC4CCN(CC4)C(=O)OC(C)(C)C)c3	346
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(Nc3cc(-c4c[nH]nc4C(F)(F)F)ncn3)n1	346
+CC(C)(C)Nc1c(N)ccc(Br)c1	0
+CC(C)(C)Nc1cc(nc(Nc2ccc(cc2)C3(CCC3)c4ncco4)n1)-c5ccccc5	55
+CC(C)(C)n1c2c(nc1-c3c(C#N)cccc3)cc(cc2)Br	1301
+C[Si](C)(C)C#Cc1c(ccc([N+](=O)[O-])c1)NC(C)(C)C	263
+CC(C)(C)Nc1c([N+]([O-])=O)cc(-c2cnc(nc2)N)cc1	1629
+CC(C)(C)N(N=O)c1ccccc1	2708
+CC(C)(C)Nc1c(F)cc(c(N)n1)C#N	4062
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3ncnc(CC)c3	2651
+CC(C)(C)Nc1nc(SC)ncc1C(=O)N	2757
+CC(C)(C)Nc1nc(SC)ncc1C(=O)O	6
+CC(C)(C)Nc1nc(NCc2ccccc2)c(cc1F)C#N	70
+CC(C)(C)Nc1ncc(C#N)c(SC)n1	3635
+CC(C)(C)Nc1nc(S(=O)C)c(C(=O)N)cn1	3634
+CC(C)(C)Nc1cc(nc([n+]1[O-])N)Cl	2758
+CC(C)(C)Nc1nc2c(-c3[nH]c4c(C(NCC4)=O)c3Cl)cccc2nc1C	573
+CC(C)(C)Nc1nc(c(cn1)C(N)=O)SC	2529
+C1(C(OC)=O)CN2C(c3cc(ncc3CCC2CC1)N)=O	2759
+n1c2c(n(c1-c3cccnc3N)-c4cccc(c4F)F)ccnc2	2759
+n1n(c(-c2cccnc2N)nn1)-c3cccc(c3F)F	2759
+CC(C)(C)Nc1ncccc1-c2n(c3ccncc3n2)-c4cccc(F)c4F	7152
+CC(C)(C)OC(=O)N1CC(C(CC1)c2ccc(cc2)F)C(=O)O	1329
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(CC(CO)O)cn2)F)=O	2760
+CC(C)(C)OC(=O)C(NC(OC(C)(C)C)=O)CCC(OCc1ccccc1)=O	2761
+CC(C)(C)OC(Nc1c(NC(OC(C)(C)C)=O)sc(SC)c1C#N)=O	2724
+CC(C)(C)Oc1cccc(c1C(=O)O)Cl	789
+CC(C)(C)c1nc(C(=O)O)c(Cl)c(N)c1F	4063
+CC(C)(C)c1cc(NC(OC(C)(C)C)=O)cc(C#N)c1	7153
+CC(C)(C)OC(=O)Nc1ccc(nc1)C(C)C	1291
+CC(C)c1n(c2c(ccc(C(OCC)=O)c2)c1C(=O)O)Cc3ncco3	2762
+CC1(C)C(N(c2c(cc(cc2)C(=O)O)N(C)C1=O)CC)=O	789
+CC(C)(C)OC(=O)NCCc1ccc2c(c1)N(C)C(C(C)(C)C(=O)N2CC)=O	1590
+CC1(C)CC(CC(C)(C)N1OCC(C)(C)O)=O	7154
+CC(C)(C)OC(NCCc1cc(Cc2cccnc2)cc(c1)CCC(OCC)=O)=O	1590
+FC(F)(F)C1(CCC2(C(=O)O)C(C1)CCCc3c2cc4cnn(c4c3)-c5ccc(cc5)F)O[Si](CC)(CC)CC	1329
+CC(C)(C)OC(=O)Nc1c(N(C)C)ncc([N+](=O)[O-])c1	1291
+CC(C)(C)OC(=O)Nc1c(C)nn(-c2cnccc2)c1	4064
+CC(C)(C)OC(=O)Nc1c(c(cc(C)c1)Br)F	673
+CC(C)(C)OC(=O)Nc1c(-c2ccccc2C)nc(C)s1	7155
+Clc1cccc(c1)C(O)CO	4065
+CC(C)(C)OC(=O)Nc1ccc(nc1)C(F)(F)Cl	1291
+FC(F)(F)c1cc(C(C)(C)C)ccc1O	957
+FC(F)Oc1c(CC(=O)O)c(C)cc(C)c1	1329
+[N+]([O-])(=O)c1ccccc1-c2n(c3c(cccc3)n2)CC(CO)O	2760
+c1c(c(OC)cc2c1N(C(=O)OC2)C)CC(CO)O	2760
+c1cc(ccc1C(CO)O)Cl	4065
+c1cc(ccc1Cn2c3c(ccc(c3)C(CO)O)cn2)OC	7156
+CC(C)(C)OC(=O)Nc1c(c(c(F)cc1)Cl)Cl	673
+CC(C)(C)OC(Nc1c(c2c(OCCO2)cc1)[N+]([O-])=O)=O	673
+COc1c(C(=O)O)c(C)cc(c1)Br	789
+COc1c(c(F)cc(c1)Br)C(=O)O	789
+c1(F)cc(cc([N+]([O-])=O)c1C(=O)O)Br	789
+c1(C(=O)O)cc(C)c(O)c(Cl)c1	789
+O=S(=O)(c1nccc(C(CC(=O)O)NC(=O)c2cncc3c2cnn3-c4ccc(cc4)F)c1)C	1329
+CC(C)(C)OC(=O)Nc1cc2c(nc1)CCCN2S(=O)(=O)c3cc(ccc3)C	1291
+CC(C)(C)OC(Nc1cc2c(cc1)ccc(c2)S(=O)(=O)C)=O	2117
+CC(C)(C)OC(Nc1c(Oc2cccc(C#N)c2)nc(-c3cnccc3)nc1)=O	4066
+CC(C)(C)OC(=O)Nc1c(c(Cl)ncc1)F	7157
+CC(C)(C)OC(=O)Nc1c(c(ccc1)OC)[N+](=O)[O-]	673
+CC(C)(C)OC(=O)Nc1cnc(nc1Oc2c(cccc2)C)SC	4066
+CC(C)(C)OC(=O)Nc1c2CCCC(=O)c2sc1	4067
+CC(C)(C)OC(=O)Nc1cc2c(CC3(c4c(cccc4)NC3=O)C2)cc1	673
+CC(C)(C)OC(Nc1ncc2c(cn(c2c1)CC)Br)=O	7158
+CC(C)(C)OC(=O)Nc1cc2ccc(cc2cc1)Br	673
+CC(C)(C)OC(Nc1cc(Br)cc(n1)C(OC)=O)=O	1673
+c1(cc(cc(Cl)c1Oc2ccc(c(C(O)=O)c2)OC)[N+](=O)[O-])Cl	789
+CC(C)(C)OC(Nc1cc(F)c(c(c1)F)CSc2n(c(cn2)C(C)(C)c3ccc(Cl)c(OC)c3)-c4ccc(cc4)F)=O	673
+CC(C)(C)OC(=O)Nc1ccc2c(c(OC)ccc2Br)n1	7159
+c12c(C)cccc1c(ccc2C(=O)O)OC	789
+c1c(OC)ccc2c1n(Cc3ncccc3)c(C(=O)OC)c2C(=O)O	2762
+CC(C)(C)OC(=O)Nc1nccc2COCc12	1673
+CC(C)(C)OC(=O)Nc1ccc2c(ccc(C#N)c2)c1	2117
+CC(C)(C)OC(Nc1cc2c(ccc(C(C)=O)c2)cc1)=O	2117
+CC(C)(C)OC(Nc1cc(ccc1)CC2CCCC=C2c3oc(c(-c4ccccc4)n3)-c5ccccc5)=O	7160
+CC(C)(C)OC(Nc1nc(cc(Cl)c1)-c2ccccc2)=O	1673
+CC(C)(C)OC(Nc1cc(C=2C=CC(=O)N(C(C)C)N=2)c(nc1)-c3ccccc3)=O	1291
+CC(C)(C)OC(Nc1c(scc1)-c2ccccc2)=O	4067
+CC(C)(C)OC(NCC(c1cc2cc[nH]c2cc1)c3ccccc3)=O	1590
+CC(C)(C)OC(Nc1cc(c2c(cc(C#N)cc2)c1)OCc3ccccc3)=O	2117
+CC(C)(C)OC(Nc1cc(cc(c1)OCc2ccccc2)OCCCCCCCCCCCCCCCCCC)=O	673
+CC(C)(C)OC(=O)Nc1cc(Cl)c(CSc2ncc(n2-c3ccc(cc3)F)C(C)(C)c4ccc(c(OC)c4)Cl)c(F)c1	673
+CC(C)(C)OC(NCCc1cc(cc(c1)CCC(OCC)=O)Cc2ccc(cc2)F)=O	1590
+CC(C)(C)OC(=O)Nc1ncc(C)c(C(S(=O)(=O)c2ccc(cc2)Cl)c3c(F)ccc(F)c3)c1	1673
+CC(C)(C)OC(=O)Nc1cc(c(c(Cl)c1)CCc2n(-c3ccc(cc3)F)c(C(C)(C)c4cc(c(cc4)Cl)OC)cn2)F	673
+CC(C)(C)OC(NC1CC1c2cccc(C(=O)OC)c2)=O	7161
+CC(C)(C)OC(Nc1sc(cc1)C(=O)c2ccccc2)=O	2724
+CC(C)(C)OC(=O)Nc1nccc(c1)Oc2ccc(NC(=O)OCc3ccccc3)cc2F	1673
+CC(C)(C)OC(=O)Nc1c(cc2c(cc(cc2)OCc3ccccc3)c1)OCc4ccccc4	673
+CC(C)(C)OC(=O)Nc1c(nn(-c2cnccc2)c1)Cl	4064
+c1cc(ccc1-c2c(O)cccc2)-c3c(cc4[nH]cc(C(O)=O)c4c3)F	2762
+c1cc(ccc1-c2nnc(-c3ccccc3[N+](=O)[O-])o2)C(=O)O	789
+c1cc(ccc1Cc2c(c(c(Cl)c(C(O)=O)n2)N)F)F	4063
+c1cc(ccc1F)CCCC(=O)O	1329
+c1cc(ccc1Cl)Sc2sc(C(O)=O)cc2	7162
+CC(C)(C)OC(C(c1ccc(cc1)[N+]([O-])=O)C)=O	2761
+CC(C)(C)OC(=O)C1CNC(=O)N1C(=O)OCc2ccccc2	2761
+n1ccc(cc1O)-n2cc(nc2C)C#Cc3cccc(C)c3	7163
+CC(C)(C)OC(=O)C(Br)CCC(=O)OCc1ccccc1	7164
+CC(C)(C)OC(=O)Cc1cc(F)cc(N)c1[N+]([O-])=O	2763
+CC(C)(C)OC(Cc1cc(c(cc1F)C#N)F)=O	2763
+CC(C)(C)C(C(OC(C)(C)C)=O)NCCNCc1ccccc1	42
+CC(C)(C)OC(=O)C(C(C)C)NCc1c(F)cnc2n(cc(C(O)=O)c12)S(=O)(=O)c3ccc(cc3)C	1528
+CC(C)(C)OC(C(N1C(c2c[nH]c3ncc(c(C1)c23)F)=O)C(C)C)=O	392
+CC(C)(C)OC(=O)C(C(C)C)N1C(=O)c2cn(c3ncc(c(C1)c23)F)S(=O)(=O)c4ccc(cc4)C	7165
+CC(C)(C)OC(=O)C(NS(=O)(=O)c1ccc(cc1)Sc2cccc(C)c2)C(C)C	815
+CC(C)(C)OC(C(CCN1C(N(C(=O)C=C1)C)=O)C(CCc2ccc(cc2)I)OCc3ccc(cc3)OC)=O	7166
+CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1c(c(N)cc(F)c1)[N+]([O-])=O	623
+O=S(=O)(C)c1ccc(C(=O)CC(=O)CC)c(Cl)c1	4068
+CC(C)(C)OC(=O)C(C)(C)Oc1c(cccc1)CC(N)=O	517
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)C=O)=O	517
+CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1CCC(=O)NCCOc2ccc(cc2)Cl	517
+CC(C)(C)OC(C(C)(C)Oc1c(ccc(OC)c1)C(c2ccc(cc2)OCc3ccccc3)=O)=O	517
+c1cc(ccc1CC(C)(C)C(=O)O)CN(CC(=O)Nc2c(C)cc(C)cc2)Cc3ccco3	32
+CC(C)(C)OC(=O)C(C)(C)Cc1ccc(cc1)CN(Cc2occc2)CC(O)=O	3
+CC(C)(C)OC(=O)C(C)(C)Cc1ccc(cc1)CN(CC(=O)Nc2c(C)cc(C)cc2)Cc3ccco3	33
+CC(C)(C)OC(=O)C(C)(C)Cc1ccc(cc1)CN(CC(=O)OCC)Cc2ccco2	303
+CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1CCN	15
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(ccc1)CCCO	21
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(CCC(O)=O)ccc1	3
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(ccc1)CCCN2C(=O)c3ccccc3C2=O	896
+CC(C)(C)OC(=O)C(C)(C)Oc1cccc(CCCN)c1	45
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(CCCOS(=O)(=O)C)ccc1	7
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(CCC(OCC)=O)ccc1	159
+CC(C)(C)OC(C(C)(C)Oc1cccc(CCCNc2oc3c(cccc3)n2)c1)=O	1527
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(O)=O	1
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(OCc2nnn(Cc3ccccc3)c2)=O	47
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(=O)OC(C2=NN(C(=O)N2CCC)Cc3ccc(cc3)C)C	47
+c1cc(ccc1SC(C)(C)C(=O)O)C(OCc2nnn(Cc3ccccc3)c2)=O	32
+c1cc(ccc1[N+](=O)[O-])-c2ccc(cc2)OCCc3nc(sc3)SC(C)(C)C(=O)O	32
+CC(C)(C)OC(=O)C(C)(C)Sc1scc(CCNCCCCCCC)n1	15
+CC(C)(C)OC(=O)C(NC(CO)c1ccc(cc1)C#N)C	7167
+CC(C)(C)OC(=O)C(C)NC(CC(O)C(CC(C)C)NC(=O)OCc1ccccc1)=O	188
+Clc1ccc(C#N)c(C2=CC(=O)N(C(C(=O)O)C)C=C2)c1	32
+c1ccccc1COC(=O)NC(C(CC(=O)NC(C(O)=O)C)O)CC(C)C	32
+CC(C)(C)OC(=O)C(C)ON=C(C(O)=O)c1ccc(c(c1)Cl)O	4069
+c1cc(ccc1)CCN2CCC(C(C(=O)O)CNS(=O)(=O)c3ccc(cc3)OC)(CC(C)C)C2=O	32
+C(C)C=CCC=CCC=CCC=CCC=CCCCCOC(C(O)=O)CC	32
+CC(C)(C)OC(NC(CCCSC(C)=O)C(OC(C)(C)C)=O)=O	2495
+CC(C)(C)OC(=O)C(C(CCc1ccc(cc1)I)OCc2ccc(cc2)OC)CCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)C(CCO)C(CCc1ccc(cc1)I)OCc2ccc(cc2)OC	35
+CC(C)(C)OC(=O)C(C1(CCN(C1=O)CCc2ccccc2)CC(C)C)CNS(=O)(=O)c3ccc(cc3)OC	71
+CC(C)(C)OC(C(NC(OCc1ccccc1)=O)CNC(=O)c2ccc(cc2)CCC(=O)OC)=O	14
+CC(C)(C)OC(C(Cc1c[nH]c2c1cccc2)NC(=O)C(C)NC(OCc3ccccc3)=O)=O	188
+CC(C)(C)OC(=O)C(Cc1ccc(cc1)OCCCC(=O)OCC)NC(OCc2ccccc2)=O	8
+c1ccccc1COC(NC(C(=O)O)Cc2ccc(cc2)OCCCC(=O)NC3=NCCN3)=O	32
+CC(C)(C)OC(=O)C(Cc1ccc(cc1)OCCCC(=O)NC2=NCCN2)NC(OCc3ccccc3)=O	7168
+CC(C)(C)OC(=O)C(Cc1oc(C(Nc2ccccc2)=O)cc1)C(O)C	770
+c1ccccc1NC(=O)c2oc(CC(C(O)C)CO)cc2	2764
+CC(C)(C)C(NS(=O)(=O)c1cc2c(c(Cl)cnc2Cl)cc1)C(OC(C)(C)C)=O	592
+CC(C)(C)C(NC(c1ccc(cc1)-c2cnc3n(n2)c(C4(CC4)c5ccc6ncsc6c5)nn3)=O)C(=O)OC(C)(C)C	259
+CC(C)(C)C(NC(c1ccc(cc1)-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)=O)C(=O)OC(C)(C)C	259
+c1cc(ccc1OCC#CC)CC(C(O)=O)N	32
+CC(C)(C)OC(C(NS(=O)(=O)c1ccccc1)Cc2ccc(cc2)OCCCC(O)=O)=O	592
+CC(C)(C)OC(C(N1C(C(O)=O)CCC1)C2C(CC)CCN2)=O	4
+CCOC(C(CSCCCCCCC)NC(C(O)=O)C)=O	32
+CC(C)(C)[Si](C)(C)OCC(NC(C)C(=O)OC(C)(C)C)c1ccc(cc1)C#N	19
+CC(C)(C)OC(NC(CCC(=O)O)C(=O)OC(C)(C)C)=O	210
+c1c(cc2nonc2c1)Oc3ncccc3C(NCc4ccc(cc4F)OC(C(O)=O)C)=O	32
+c1cc(ccc1)COc2cc(CC(=O)OCC)cc(Br)c2	2763
+CC(C(=O)O)c1ccc2N(C(Sc2c1)=O)COC	32
+c1ccccc1-c2ccc3n(n2)c(C(c4ccc5c(c4)cc(OC)cn5)C)nn3	7169
+C1CCC(C1)C(C(=O)O)c2ccc(cc2)CN3C(=O)c4c(cccc4)C3	32
+CC(C)(C)OC(C(c1ccc(cc1)N2C(c3c(C2)ccc(Cl)c3)=O)C)=O	1473
+CC(C)(C)OC(C(c1ccc(cc1)N2C(=O)c3cc(Br)ccc3C2)C)=O	1473
+CC(C)(C)OC(C1(CC1)Cc2cc(NCc3ccccc3)ccc2)=O	250
+CC(C)(C)OC(C1(CC1)Cc2cc(NCc3ccccc3)c(cc2)F)=O	250
+CC(C)(C)OC(C1(CC1)Cc2ccc(c(NC(C(NC(OCc3ccccc3)=O)C(C(F)(F)F)C)=O)c2)F)=O	33
+CC(C)(C)OC(C1(CC1)Cc2ccc(F)c(c2)NC(C(N3Cc4c(cccc4)CC3)C5=CCCC5)=O)=O	7170
+CC(C)(C)OC(=O)C1(CCOCC1)CN2CCC(CC2)C#[N+]CS(=O)(=O)c3ccc(cc3)C	1141
+CC(C)(C)OC(C1(CCOCC1)CN2CCC(CC2)C#N)=O	881
+CC(C)(C)OC(=O)C1C(CN(C1)C(OC(C)(C)C)=O)C=NO	410
+CC(C)(C)OC(=O)C1CN(CC1C(=NO)Cl)C(OC(C)(C)C)=O	1964
+CC(C)(C)OC(C1CC2(CCC1(CC2)CN)CN)=O	51
+CC(C)(C)OC(=O)C1CC2(CCC1(CC2)C(N)=O)CN	83
+CC(C)(C)OC(=O)C1(CC1)Cc2cc(ccc2)Br	7171
+CC(C)(C)OC(=O)C1C2(CCC(CC2)(CN)C1)C#N	143
+CC(C)(C)OC(C1N(C(=O)CNC(=O)OC(C)(C)C)C(c2ccccc2)CC1)=O	478
+CC(C)(C)OC(=O)C1CCN(CC1)c2c(C#N)cc(C(=O)O)c(n2)C	6
+CC(C)(C)OC(=O)C1CCN(CC1)c2c(C#N)cc(C(=O)OCC)c(n2)C	43
+CC(C)(C)OC(C1CN(C(N1C(=O)OCc2ccccc2)=O)CC)=O	7172
+CC(C)(C)OC(N1CC(O)CC1C(=O)OC(C)(C)C)=O	2118
+CC(C)(C)OC(C1CCC(N1C(CNC(Nc2cc(ccc2)C(C)C(O)=O)=O)=O)c3ccccc3)=O	210
+CC(C)(C)OC(C1N(C(=O)OC(C)(C)C)CC(C1)N=[N+]=[N-])=O	298
+CC(C)(C)OC(C1N(C(=O)C2N(C(C(NC(CSCCCCCCC)C(=O)OCC)C)=O)CCC2)CCC1)=O	348
+CC(C)(C)OC(=O)C1C(CCCCN1S(=O)(=O)c2ccc(cc2)OC)CO	21
+c1cc(ccc1OC)S(=O)(=O)N2C(C(COC(C)=O)CCCC2)C(O)=O	32
+CC(C)(C)OC(=O)C=1N2C(=O)C(NC(=O)Cn3c(S(=O)(=O)C)ncc3)C2SCC=1COC(C)=O	207
+O=S(=O)(c1n(CC(=O)NC2C3SCC(COC(C)=O)=C(C(O)=O)N3C2=O)ccn1)C	628
+CC(C)(C)OC(CCN1CCC(CC1)CN(C2C(c3scc(C(=O)Nc4sc(nn4)C)c3)C2)C(=O)C(F)(F)F)=O	3438
+CC(C)(C)OC(CCOCCOCCOCCO)=O	1615
+CC(C)(C)OC(=O)C=Cc1cnc2NC(CN(C)Cc2c1)=O	1953
+CC(C)(C)OC(CCNCCc1cc(F)ccc1)=O	1340
+CC(C)(C)OC(=O)C=Cc1ccc(OCCC)c(-c2nc(c3c(n2)n(nc3C)CCC)O)c1	233
+CC(C)(C)OC(CCOCCc1ccc2c(ccs2)c1)=O	1615
+CC(C)(C)OC(=O)C=Cc1ccc(c(F)c1)C=O	233
+CC(C)(C)OC(=O)C=Cc1ccc(cc1)-c2ccn(CC)n2	233
+CC(C)(C)OC(C=Cc1ccc(cc1)C=O)=O	233
+CC(C)(C)OC(C=Cc1ccc(cc1)Oc2c(sc3cc(ccc23)OC)-c4ccc(cc4)OC)=O	233
+CC(C)(C)OC(=O)C=Cc1c(cccc1)N2CCC3(CCC(CC3)C(=O)N)CC2	327
+C1CC2(CCC(CC2)C(=O)N)CCN1c3ccccc3C=CC(O)=O	628
+CC(C)(C)OC(C=Cc1cn(S(=O)(=O)Cc2ccccc2)cc1)=O	4070
+CC(C)(C)OC(=O)C=Cc1ccn(S(=O)(=O)c2cc(ccc2)Br)c1	917
+CC(C)(C)OC(=O)CCc1cc(Cl)cc(Cl)c1	159
+c12cc(C=CC(=O)O)cnc1NC(=O)C(C2)C(OC)=O	628
+c1(c(cc(cc1)C=CC(O)=O)-c2nc(c3c(n2)n(nc3C)CCC)O)OCCC	628
+O=Cc1ccc(C=CC(=O)O)cc1F	628
+c1cc(ccc1C=CC(=O)c2cc(c(F)cc2)F)C=CC(=O)O	628
+O=S(=O)(n1ccc(C=CC(=O)O)c1)c2cc(ccc2)Br	628
+C(=O)(O)C=Cc1cc2CN(C)CC(=O)Nc2nc1	628
+CC(C)(C)[Si](C)(C)Oc1ccc2c(n(CC(=O)OC(C)(C)C)cc2)c1	256
+CC(C)(C)[Si](C)(C)Oc1ccc2c(nn(CC(=O)OC(C)(C)C)c2c1)I	1458
+CC(C)(C)[Si](C)(C)Oc1cc2n(cc(Cl)c2cc1)CC(=O)OC(C)(C)C	256
+CC(C)(C)OC(COCCN(C)C(=O)C1=C(c2ccc(cc2)C(C)(C)C)N(C)N(C1=O)c3ccc(cc3)C#N)=O	337
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CC(=O)OC(C)(C)C)c2cc3c(cc2)nccc3	4071
+CC(C)(C)OC(CN(Cc1cc(ccc1)-c2noc(-c3cc(c(-c4ccccc4C)cc3)COC)n2)C(C)C)=O	303
+CC(C)(C)OC(=O)Cn1c(ccc1-c2cc3C(C)(C)OC(=O)Nc3cc2)C#N	2318
+CC(C)(C)OC(=O)Cn1c(c(Sc2c(F)c(C(OCC)=O)ccc2)c3ccc(Cl)c(F)c13)Cl	256
+CC(C)(C)OC(Cn1ncc(C(OCC)=O)c1)=O	764
+CC(C)(C)OC(Cn1c2c(c(C3CCCCC3)c1[Si](C)(C)C)cc(cn2)C(=O)OC)=O	7173
+CC(C)(C)OC(=O)COCC1N(S(=O)(=O)c2c(C)cc(cc2C)OC)CCCC1	337
+CC(C)(C)OC(COc1c(cc(cc1)Cl)Br)=O	52
+CC(C)(C)OC(CN1C(=O)C=C(c2cc(ccc2Br)Cl)C3=C1CCC3=O)=O	7174
+CC(C)(C)OC(COc1c(C=O)cc(cc1)Cl)=O	52
+CC(C)(C)OC(CN1C(C=C(c2cc(Cl)ccc2C#N)C(Cl)=C1)=O)=O	7175
+CC(C)(C)OC(COc1cc(C(=O)OC)ccc1Cl)=O	52
+FC(F)(F)C(C=Cc1ccc(cc1)OCC(OC(C)(C)C)=O)=O	52
+FC(F)(F)C(c1cn(c2c1ccc(Br)c2)CC(=O)OC(C)(C)C)=O	256
+FC(F)(F)Oc1ccc(cc1)OCC(=O)OC(C)(C)C	52
+CC(C)(C)OC(=O)COC1CCC(CC1)Nc2cc(c(cc2)[N+]([O-])=O)C(F)(F)F	337
+CC(C)(C)OC(CN1CCN(CC1)C(c2ccccc2)c3cccc(C(F)(F)F)c3)=O	303
+CC(C)(C)OC(=O)CC(Cc1cc(c(N)c(c1)C(F)(F)F)Cl)C(N2C(Cc3ccccc3)COC2=O)=O	7176
+FC(F)(F)c1ccc(cc1)-c2sc(c(C)n2)CCOc3ccc4c(c3)n(CC(OC(C)(C)C)=O)cc4CCC	256
+CC(C)(C)OC(=O)COCc1cc(ccn1)C(F)(F)F	337
+CC(C)(C)OC(Cn1c2ccc(c(Cl)c2cc1C(F)F)C#N)=O	256
+CC(C)(C)OC(=O)Cn1cc(c2cc(NC(=O)C3CCC(F)(F)C3)ccc12)C(=O)C	256
+CC(C)(C)OC(CN1C(=O)N(CC1)c2ccccn2)=O	4072
+CC(C)(C)OC(=O)CN1c2cccc(F)c2NCC1=O	933
+CC(C)(C)OC(=O)CN1C(C(CSC(C1)c2occc2)N3C(=O)c4ccccc4C3=O)=O	584
+CC(C)(C)OC(COc1ccc(C=O)cc1-c2cc(c(cc2)F)S(=O)(=O)C)=O	52
+CC(C)(C)OC(=O)COc1ccccc1CC(c2c3ccccc3n(CCCCC)c2)=O	52
+CC(C)(C)OC(=O)COc1cccc2n(Cc3ccccc3Cl)c4c(c12)c(C(N)=O)ccc4	52
+CC(C)(C)OC(COCCN(C1CC1)S(=O)(=O)c2c(C)cc(cc2C)OC)=O	337
+CC(C)(C)OC(COc1c2c(sc1C(OC)=O)ncc(c2)[N+]([O-])=O)=O	7177
+CC(C)(C)OC(COc1c(C(=O)C)c(O)ccc1)=O	52
+CC(C)(C)OC(COc1cccc([N+](=O)[O-])c1N)=O	52
+CC(C)(C)OC(COc1ccc(cc1Br)C=O)=O	52
+CC(C)(C)OC(COc1cccc(c1)Sc2cc(Nc3scc(n3)C)ncc2)=O	52
+CC(C)(C)OC(COc1c2CCCCC(=O)c2ccc1)=O	52
+CC(C)(C)OC(Cn1c2c(c(C(N)=O)n1)cccc2)=O	1458
+CC(C)(C)OC(COc1cccc(CO)c1C)=O	52
+CC(C)(C)OC(COc1c(Cl)cc(cc1Cl)[N+](=O)[O-])=O	52
+CC(C)(C)OC(=O)CN1C(C=C(C(C(=O)OCC)=C1)Nc2ccc(cc2F)I)=O	7178
+CC(C)(C)OC(=O)COCCCCN(C(C)C)c1nc(-c2ccccc2)c(-c3ccccc3)nc1	337
+CC(C)(C)OC(=O)CN1C(=O)C(N)C(c2ccccc2)Sc3ccccc13	933
+CC(C)(C)OC(COc1ccc(cc1Cl)CCC(OCc2ccccc2)=O)=O	52
+CC(C)(C)OC(CN(CC)CC(OCc1ccccc1)=O)=O	7179
+CC(C)(C)OC(=O)COc1ccc(cc1)-c2ccc(cc2)C#N	52
+CC(C)(C)OC(CN1CCC(CC1)n2c3c(c(N)ncn3)c(n2)-c4ccc(cc4)Oc5ccccc5)=O	303
+CC(C)(C)OC(=O)COc1c(C(=O)OCC)n(c(C(OCC)=O)c1OCc2ccccc2)-c3ccc(cc3)OC	1456
+CC(C)(C)OC(COCc1ccc(cc1)Oc2ccc(cc2)C(=O)OC)=O	337
+CC(C)(C)OC(COCCOc1ccc2c(c1)c(c(c(CC(C)C)n2)C#N)-c3ccc(cc3)C)=O	337
+CC(C)(C)OC(COc1ccc(cc1)C=O)=O	52
+CC(C)(C)OC(=O)CN1c2ccccc2C(=O)N(C1=O)c3ccc(cc3)CC(OCC)=O	4073
+CC(C)(C)OC(=O)Cn1c(Cc2ccc(cc2)F)cc(-c3cn(nn3)Cc4ccc(cc4)OC)n1	764
+CC(C)(C)OC(COc1ccc(cc1)OCCOCCOCCOCCCCCCCCCC=C)=O	52
+CC(C)(C)OC(=O)COc1cccc(C(OC)=O)c1	52
+CC(C)(C)OC(CN1C(=CC=C(NC(=O)OCc2ccccc2)C1=O)C)=O	4074
+CC(C)(C)OC(=O)Cn1c2c(CCN(C(=O)OCc3ccccc3)C2)c4c1cccc4	256
+CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)OCc2ccccc2)=CC=C1C(C)C	4074
+CC(C)(C)OC(COCCOCCOCCOCc1ccccc1)=O	337
+CC(C)(C)OC(=O)CNc1ccc(cc1OCc2ccccc2)I	1230
+CC(C)(C)OC(=O)Cn1c2ccc(OCc3ccccc3)cc2c(c1)C(C)=O	256
+CC(C)(C)OC(CC(=O)CC(O)C=CC(=C(c1ccc(cc1F)C)c2ccc(cc2F)C)c3n(C)nnn3)=O	1536
+CC(C)(C)OC(CC(=O)CC(C=CC(c1nnnn1C)=C(c2ccc(F)cc2C)c3ccc(F)cc3C)O)=O	1536
+c1cc(ccc1)S(=O)(=O)C2CN(C(=O)CC(C)=O)C(C(=O)OC)C2	7180
+CC(C)(C)OC(=O)CC(CC(CCCC)C)O	770
+CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1cc(F)c(C#N)cc1F	1266
+FC(F)(F)c1ccc(NC(=O)OC(C)(C)C)c(NC(CC(c2cccc(-c3cnccc3C)c2)=O)=O)c1	496
+CC(C)(C)OC(=O)Nc1cc(c(C)cc1NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)N(C)C	496
+CC(C)(C)OC(Nc1cc(c(cc1NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)C#N)N(CC)CC)=O	496
+FC(F)(F)c1c(cc(c(NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)c1)NC(=O)OC(C)(C)C)C	496
+FC(F)(F)c1c(cc(c(c1)NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)NC(=O)OC(C)(C)C)N4CCSCC4	496
+CC(C)(C)OC(=O)Nc1cc(NC(C)C)c(cc1NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)Cl	496
+FC(F)(F)c1cc(c(NC(OC(C)(C)C)=O)cc1OCC)NC(=O)CC(c2ccnc(-c3cnccc3)c2)=O	496
+CC(C)(C)OC(Nc1c(NC(=O)CC(=O)c2ccnc(-c3onc(c3)C)c2)cc(Cl)c(c1)N(C)CCOC)=O	496
+CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C(ON=C(N)C(=O)OCC)=O	7181
+CC(C)(C)OC(CC(CCCC1CCCCC1)C(ONC(=N)Cc2ccncc2)=O)=O	4075
+CC(C)(C)OC(CC(CO)Nc1ccc(c(Cl)c1)C#N)=O	21
+CC(C)(C)OC(=O)CC(CO)CC(CCCCC)C	21
+CC(C)(C)OC(CC(c1nc(C(OCC)=O)no1)CCCC2CCCCC2)=O	7182
+CC(C)(C)OC(=O)CC(CCCC1CCCCC1)c2onc(n2)CN(CC(=O)OCC)C	303
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2onc(n2)CN(CC(O)=O)C)=O	3
+CC(C)(C)OC(=O)CC(CNC)Nc1ccc(C#N)c(c1)Cl	1385
+CC(CC(CN)CC(=O)O)CCCCC	32
+CC(C)(C)OC(=O)CC(CN)CC(CCCCC)C	18
+CC(C)(C)OC(=O)CC(Nc1ccc(C#N)c(c1)Cl)CN	18
+CC(C)(C)OC(=O)CC(COS(=O)(=O)c1ccc(cc1)C)CC(C)CCCCC	36
+CC(C)(C)OC(=O)CC(CN=[N+]=[N-])CC(CCCCC)C	254
+CC(C)(C)OC(=O)CC(CN=[N+]=[N-])Nc1cc(Cl)c(cc1)C#N	254
+CC(C)(C)OC(CC(NS(=O)(=O)c1ccc(NC(=O)C)cc1OCCc2cccc3ccccc23)C=O)=O	378
+CC(C)(C)OC(=O)CC(NS(=O)(=O)c1ccc(cc1OCCc2cccc3ccccc23)N)C(N(C)OC)=O	0
+CC(C)(C)OC(=O)CC(NS(=O)(=O)c1c(cc(NC(=O)C)cc1)OCCc2cccc3ccccc23)C(N(C)OC)=O	26
+CC(C)(C)OC(=O)CC(c1ccccc1)Nc2c(N)cccc2	0
+CC(C)(C)OC(CC(Nc1cc(c(C#N)cc1)Cl)CNS(=O)(=O)c2c([N+]([O-])=O)cccc2)=O	71
+CC(C)(C)OC(CC(CNCc1ccccc1)Nc2cc(Cl)c(cc2)C#N)=O	42
+CC(C)(C)OC(CC(c1c(c(-c2cc(CC(C)(C)C)on2)on1)C3CC3)CCCOCc4ccccc4)=O	7183
+FC(F)(F)c1c(cc2N=C(CC(=O)Nc2c1)c3cccc(-c4cc(C)nc(N)n4)c3)C	7184
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(c1)NC(=O)CC(=O)c2cccc(-c3ccc(OC)nn3)c2)N(C)C	496
+CC(C)(C)OC(Nc1cc(c(Cl)cc1NC(=O)CC(=O)c2cc(-n3c(COC4CCCCO4)cnn3)ccc2)N(C)C)=O	496
+CC(C)(C)OC(CC(N)c1cccc(c1)F)=O	1191
+FC(F)(F)c1ccc(NC(=O)OC(C)(C)C)c(NC(CC(c2cc(ccc2)-c3c(cc(nc3)C4CC4)C)=O)=O)c1	496
+CC(C)(C)OC(Nc1cc(c(Cl)cc1NC(CC(=O)c2cccc(c2)-n3cc(cn3)COC4OCCCC4)=O)N(C)C)=O	496
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(CC(=O)c3sc(C#N)cc3)=O)=O	496
+CC(C)(C)OC(CC(c1ccc(cc1)NC(Cc2ccc(c(c2)OC)NC(N3c4ccccc4CC3)=O)=O)C)=O	7185
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(c1)NC(=O)CC(=O)c2cc(ccc2)-c3ccnn3C)N(C)C	496
+CC(C)(C)OC(CC(n1cnc2ccccc12)c3ccccc3)=O	7186
+CC(C)(C)OC(CC(c1onc(COS(=O)(=O)c2ccc(cc2)C)n1)CCCC3CCCCC3)=O	36
+CC(C)(C)OC(=O)CC1(C(OCc2ccccc2)=O)CN(CC1C)C(=O)OCc3ccccc3	283
+CC(C)(C)OC(=O)CC1(C(=O)O)CN(C(=O)OCc2ccccc2)CC1C	66
+c1cc(ccc1)C2OC(=O)CCC=CCC(C(N(C)C2C)=O)CC(O)=O	32
+CC(C)(C)OC(=O)CC1CC(C(c2ccc(cc2)Cl)N(C1=O)C(CC)CCC#N)c3cc(Cl)ccc3	7187
+CC(C)(C)OC(=O)CC1C(N(C(CO)CC)C(C(c2cccc(Cl)c2)C1)c3ccc(cc3)Cl)=O	44
+CC(C)(C)OC(=O)CC1CC(C(N(C(CC)C=O)C1=O)c2ccc(cc2)Cl)c3cc(Cl)ccc3	24
+CC(C)(C)OC(=O)CC1C(=O)N(C(C=CC#N)CC)C(c2ccc(cc2)Cl)C(C1)c3cccc(c3)Cl	7188
+c1cc(ccc1Cl)C2C(c3cc(Cl)ccc3)CC(CC(O)=O)C(=O)N2C(CC)CCC#N	32
+C1CC(CCC1CC(O)=O)C(OCC)=O	32
+c1cc(ccc1-c2c(ccc(c2)F)OC)CC(CC(OCC)=O)NC(=O)CCC(=O)O	32
+CC(C)(C)OC(=O)CCC(=O)NC(Cc1ccc(cc1)-c2c(ccc(F)c2)OC)CC(=O)OCC	11
+CC(C)(C)OC(=O)CCc1nc(c2c(nccc2)n1)O	7189
+CC(C)(C)OC(=O)CCC(C(=O)N1CCN(CC1)C(=O)OCC)NC(c2nc3c(c(C(O)=O)c2)cccc3)=O	1
+CC(C)(C)OC(=O)CCC(C(=O)N1CCN(CC1)C(=O)OCC)NC(c2cc(C(OC)=O)c3c(n2)cccc3)=O	712
+CC(C)(C)OC(=O)CCC(C(=O)OC)NC(=O)C1=NN(C(C1)=O)c2ccccc2	7190
+Clc1ccc(c(Cl)c1)CNC(c2cnc(nc2O)NC(CCC(=O)O)=O)=O	32
+c1cc(ccc1Oc2ccc(c(c2)CC)OC)C(=O)CCC(O)=O	32
+CC(C)(C)OC(CCc1cccc(C#N)n1)=O	1304
+CC(C)(C)OC(=O)CCCOc1c(cc(C#N)cc1Cl)C	8
+CC(C)(C)OC(CCCOc1c(NC(c2ccc(c(Br)c2)Cl)=O)c(C)ccc1)=O	8
+CC(C)(C)OC(=O)CCCCC1=Cc2c(ccc(c2)-c3noc(n3)C4Cc5c(C4)cccc5)C(=O)N1c6ccc(cc6)F	859
+CC(C)(C)OC(=O)CCCCC1=Cc2cc(C#N)ccc2C(=O)N1c3ccc(cc3)F	1308
+CC(C)(C)OC(=O)CCCCC1=Cc2cc(C(=O)O)ccc2C(=O)N1c3ccc(cc3)F	1
+CC(C)(C)OC(=O)CCCCC1=Cc2c(C(=O)N1c3ccc(cc3)F)ccc(C(NO)=N)c2	181
+CC(C)(C)OC(=O)CCCCC1=Cc2cc(CO)ccc2C(=O)N1c3ccc(cc3)F	49
+CC(C)(C)OC(=O)CCCCC1=Cc2c(C(=O)N1c3ccc(cc3)F)ccc(c2)C=NO	135
+CC(C)(C)OC(=O)CCCCC1=Cc2cc(C=O)ccc2C(=O)N1c3ccc(cc3)F	39
+CC(C)(C)OC(CCCCCI)=O	1273
+CC(C)(C)OC(CCCCCC(c1oc(cn1)-c2cc3c(cccc3)nc2OC)NC(=O)OCc4ccccc4)=O	7191
+c1ccccc1-c2c(c3c(cccc3)[nH]2)CCNC(C(CCCCCC(=O)O)NC(=O)c4sccc4)=O	32
+CC(C)(C)OC(=O)CCCCCC(NC(c1cccs1)=O)C(O)=O	4
+CC(C)(C)OC(=O)CCCCCC(C(OC)=O)NC(=O)c1sccc1	2765
+CC(C)(C)OC(=O)CCCCCC(C(NCCc1c(-c2ccccc2)[nH]c3ccccc13)=O)NC(=O)c4sccc4	9
+C(C(NC(=O)CCCCCCCCCCCCCCC(O)=O)CCN=[N+]=[N-])(=O)O	32
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)NC(CCN=[N+]=[N-])C(=O)O	4
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)NC(CCN=[N+]=[N-])C(OC)=O	188
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(NC(C(O)=O)CCN=[N+]=[N-])=O	4
+O=C(C(CCN=[N+]=[N-])NC(=O)CCCCCCCCCCCCCCCCC(O)=O)O	32
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)NC(CCN=[N+]=[N-])C(OC)=O	188
+CC(C)(C)OC(CCCCCCCCCCCCCCCCC(=O)ON1C(CCC1=O)=O)=O	3423
+c1ccccc1OCCCCCC(O)=O	32
+CC(C)(C)OC(CCCCNC(=O)NCCCCC1C2C(CS1)NC(=O)N2)=O	588
+FC(F)(F)c1ccc2c(C(CC(N2)CC)Nc3ncc(cn3)OCCCCC(=O)OC(C)(C)C)c1	96
+c1cc(ccc1F)-c2c(CCCCC(=O)O)nc3cc(C(C4CC4)=O)ccc3n2	32
+CC(C)(C)OC(=O)CCCCc1c(-c2ccc(cc2)F)nc3c(n1)cc(cc3)C(N(OC)C)=O	280
+C1CC(CCC1)CC(=O)Nc2c3c(nc(NCCCC(=O)O)cc3)ccc2Cl	32
+C1CCC(C1)c2nc(cc(c2)-c3onc(n3)-c4cc(c(c(Cl)c4)OCCCC(O)=O)C)OC	32
+CC(C)(C)OC(=O)CCCOc1c(cc(cc1Cl)C(=N)NO)C	181
+CC(C)(C)OC(=O)CCCOc1cnc(nc1)NCc2cc(ccc2-c3cc(C(C)C)ccc3OC)C(F)(F)F	96
+CC(C)(C)OC(=O)CCNCc1cc2c(cc1)nc(-c3cc(c(-c4ccccc4)cc3)C(F)(F)F)s2	370
+CC(C)(C)OC(CCNS(=O)(=O)c1cc2c(ncc(Cl)c2cc1)Cl)=O	71
+CC(C)(C)OC(CCNS(=O)(=O)c1cccc(C(=O)OC)c1)=O	71
+CC(C)(C)OC(=O)CCN1CCSC(c2ccc(cc2)I)C1	2766
+CC(C)(C)OC(CCN1CC(SCC1)c2ccc(cc2)Oc3ccccc3Cl)=O	754
+FC(F)(F)c1cc(ccc1-c2ccccc2)-c3sc4cc(CNCCC(=O)O)ccc4n3	32
+C1CC2(CCN1C(=O)c3cc(ccc3)S(=O)(=O)NCCC(O)=O)CNC(=NC(c4nc(c(nc4N)N)Cl)=O)N2	32
+C1CC2(CCN1CCc3cccc(c3)CCOCCC(O)=O)CN(C(=O)c4nc(C(C)C)sc4)CCO2	32
+Clc1ccc(c(C(Nc2nn(cc2)-c3ccc(c(C)c3)C)=O)c1)NC(=O)c4cccc(CSCCC(=O)O)c4	32
+CC(C)(C)OC(=O)CCc1cc(cc(CC(NC(OCc2ccccc2)=O)C)c1)Cc3cnccc3	7192
+CC(C)(C)OC(=O)CCc1cc(CC(C(O)=O)C)cc(c1)Cc2cnccc2	4
+CC(C)(C)OC(CCc1cc(Cl)c(c(Cl)c1)C=O)=O	151
+C1(c2nc(ccc2)CCC(=O)O)=NC(c3ccc(C)cc3S1)=O	32
+CC(C)(C)OC(=O)CCC=1[N+](=O)C(=C=[N-])C=CC=1	1649
+CC(C)(C)OC(CCc1ccnc(C=2Sc3ccccc3C(=O)N=2)c1)=O	2767
+CC(C)(C)OC(CCc1ccnc(C2=NC(c3ccc(cc3S2)F)=O)c1)=O	7193
+c1(c2cccnc2nc(n1)CCC(=O)O)O	32
+CC(C)(C)OC(=O)CCc1cccc[n+]1[O-]	103
+CC(C)(C)OC(=O)CNc1c([N+](=O)[O-])cc(NC(=O)OC(C)(C)C)cc1	945
+CC(C)(C)[Si](C)(C)OCCOCCC(C)(C)CC=NCC(=O)OC(C)(C)C	2768
+CC(C)(C)OC(=O)CN=CCC(C)(C)CCN=[N+]=[N-]	2768
+CC(C)(C)OC(=O)CN=CCC(C)(C)c1ccc(o1)C	2768
+CC(C)(C)OC(CNC(C=1C(=O)C(C)(C)c2c(ccc(c2F)O)C=1O)=O)=O	3948
+CC(C)(C)OC(=O)CNC(=O)c1ccc(cc1)OCc2ccccc2	259
+CC(C)(C)OC(=O)CNC(c1cc(Cl)c(cc1)NC(=O)OCc2ccccc2)=O	259
+CC(C)(C)OC(=O)CNC(=O)c1ncc(cc1OCc2ccccc2)OCc3ccccc3	1008
+C1CC1N(C(C(C)CSC(C)=O)=O)CC(=O)O	32
+C1CCCC1N(C(=O)c2cccc(c2SC(C)=O)C)CC(O)=O	32
+CC(C)(C)OC(=O)CN(CCN1c2ccc(cc2SCC1)N)C	0
+CC(C)(C)OC(=O)CN(CCN1c2ccc(cc2SCC1)NC(=N)c3sccc3)C	1139
+CC(C)(C)OC(=O)CN1C(C(N)=CC=C1C(C)C)=O	1849
+CC(C)(C)OC(CN1C(=O)C(CSC(c2ccco2)C1)N)=O	1955
+c1cc(ccc1-c2ccccc2C#N)CC3=C(n4ncnc4N(C3=O)CC(O)=O)CCC	32
+CC(C)(C)OC(=O)CN1C(C(NS(=O)(=O)c2cccc(c2)C)=CC=C1C(C)C)=O	7194
+O=S(=O)(c1cccc(c1)C)NC2=CC=C(N(C2=O)CC(O)=O)C(C)C	32
+CC(C)(C)OC(=O)CN1C(C=C(C(C(=O)O)=C1)Nc2ccc(cc2F)I)=O	108
+c1cc(ccc1)CCC(NC2CSC(CN(CC(O)=O)C2=O)c3ccco3)C(=O)OCC	32
+c1cc(ccc1OC)S(=O)(=O)N2CCN(CC2)CC(O)=O	32
+CC(C)(C)OC(=O)CN1c2ccccc2C(=O)N(c3ccc(cc3)CC(=O)NCCc4ccccc4)C1=O	9
+CC(C)(C)OC(=O)CN1c2ccccc2C(=O)N(C1=O)c3ccc(cc3)CC(=O)O	3
+c1cc(ccc1N2C(=O)N(c3ccccc3C2=O)CC(=O)O)CC(=O)NCCc4ccccc4	32
+C1CC2(CCO1)c3ccccc3C(=C(C2=O)C(NCC(=O)O)=O)O	32
+CC(C)(C)OC(CNC(=O)c1ccc(cc1)OCCc2c(F)cccc2)=O	126
+CC(C)(C)OC(=O)CNC(=O)c1ccc(cc1)O	16
+CC(C)(C)OC(=O)CNC(c1c(cc(cn1)O)O)=O	321
+CC(C)(C)OC(=O)CNC(=O)c1ncc(OCc2ccccc2)cc1O	321
+CC(C)(C)OC(CNc1ncc(s1)C=O)=O	7195
+c1(cc(cnc1C(NCC(=O)O)=O)O)O	32
+CC(C)(C)OC(=O)Nc1cc(c(cc1)NCC(OC(C)(C)C)=O)N	0
+c1(C(C)O)cccc(NC)n1	7196
+FC(F)(F)c1c(ccc(c1)NC2CCC(CC2)OCC(=O)O)[N+]([O-])=O	32
+O=S(=O)(c1c(C)cc(cc1C)OC)N2CCCCC2COCC(O)=O	32
+CC(C)(C)OC(=O)COCCCCN(c1nc(c(-c2ccc(cc2)C)cn1)-c3ccc(cc3)C)C	7197
+c1cc(ccc1)-c2c(-c3ccccc3)nc(N(CCCCOCC(O)=O)C(C)C)cn2	32
+CC(C)(C)OC(=O)COCCOCCN	2769
+FC(F)(F)c1ccnc(c1)COCC(=O)O	32
+c1ccccc1COc2c(OCC(O)=O)c(n(-c3ccc(cc3)OC)c2C(=O)OCC)C(=O)OCC	32
+CC(C)(C)OC(=O)COc1c(c(ccc1)C(C)O)C	7198
+c1cc2n(CCCCC)cc(C(=O)c3cccc4ccccc34)c2cc1OCC(=O)O	32
+CC(C)(C)OC(=O)COc1ccc(C(NO)=N)cc1F	181
+CC(C)(C)OC(COc1ccc(cc1F)-c2nc(-c3cc(c(-c4ccccc4C)cc3)COC)on2)=O	529
+c1cc(ccc1OCC(O)=O)-c2c(c(CN3C(=O)CCC3=O)nc4c2c5CCS(=O)Cc5s4)Cl	32
+CC(C)(C)OC(=O)COc1ccc(cc1)-c2c(c(CN3C(=O)CCC3=O)nc4c2c5CCS(=O)Cc5s4)Cl	441
+c1cc(ccc1-c2ccc(cc2)OCC(=O)O)C#N	32
+CC(C)(C)OC(COc1ccc(Cl)cc1C#C)=O	75
+c1ccc(OCC(=O)O)cc1C(=O)OC	32
+c1cc(c2c3c(n(Cc4c(cccc4)Cl)c2c1)cccc3OCC(O)=O)C(=O)N	32
+CC(C)(C)OC(=O)C=Cc1cc(c(cc1)O[Si](C)(C)C(C)(C)C)C2CCCC2	1097
+CC(C)(C)OC(Cc1c(F)cc(cc1F)OCCC2C(C3CCN(CC3)c4ncc(cn4)OCC)C2)=O	2024
+CC(C)(C)OC(=O)Cc1cnc(c(c1)F)Cl	4076
+CC(C)(C)OC(Cc1cnc(Cl)c(C)c1)=O	4076
+CC(C)(C)OC(Cc1ccc(OCc2ccccc2)cc1C#N)=O	2024
+CC(C)(C)OC(=O)Cc1c(cc(OCCC2C(C3CCN(CC3)c4ncc(cn4)COC)C2)cc1)Cl	2024
+c1nc(ncc1COC)N2CCC(CC2)C3C(CCOc4cc(c(cc4)CC(O)=O)Cl)C3	32
+c1cc(nc2c1ccc(c2CC(=O)OCC)Cl)C	7199
+CC(C)(C)OC(Cc1ccc(c(CN)c1)Oc2ccc(cc2)C(=O)OC)=O	107
+C(c1cc(F)c(-c2cc(F)ncc2)nc1)C(=O)O	32
+Nc1c([N+]([O-])=O)c(cc(F)c1)CC(=O)O	32
+CC(C)(C)OC(=O)Cc1cc(C#N)c(Oc2ccc(cc2)C(=O)OC)cc1	46
+c1cc(ccc1Oc2c(cc(cc2)CC(O)=O)CNS(=O)(=O)C)C(Nc3ccc(c(Cl)c3)Cl)=O	32
+CC(C)(C)OC(=O)Cc1cc(F)c(-c2ccnc(F)c2)nc1	1299
+CC(C)(C)OC(=O)Nc1cc2nc(n(CC(=O)O)c2cc1)CCC	32
+CC(C)(C)OC(Cn1c(CCC)nc2c1ccc(N)c2)=O	78
+c1cc(ccc1OC)Cn2cc(-c3nn(CC(=O)O)c(c3)Cc4ccc(cc4)F)nn2	32
+C(O)(Cn1c(Cl)c(c2ccc(Cl)c(F)c12)Sc3cccc(c3F)C(OCC)=O)=O	32
+CC1(C)OC(=O)Nc2c1cc(-c3n(c(cc3)C#N)CC(O)=O)cc2	32
+CC(C)(C)OC(=O)Cn1c2c(cccc2)c3CCNCc13	62
+C(Cn1c2ccc(cc2c(C(=O)C)c1)C(=O)OC)(=O)O	32
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(COc3cc4c(c(Cl)cn4CC(=O)OC(C)(C)C)cc3)s2	2119
+CC(C)(C)OC(Cn1c2c(c3ccccc13)CCN(C(=O)Nc4cc(ccc4)C)C2)=O	326
+CC(C)(C)OC(Cn1cc(c2cc(ccc12)O)C(=O)C)=O	16
+CC(C)(C)OC(=O)Cn1cc(CC#N)c2c(cccc12)N	0
+n1(c2cnccc2c(n1)C(=O)N)CC(=O)O	32
+CC(C)(C)OC(Cn1c2c(c(c(cc2)Cl)N)c(CC#N)c1)=O	196
+c1cc(ccc1)-c2nc(COc3cc4c(ccn4CC(=O)O)cc3)c(C)s2	32
+FC(F)(F)c1ccc(c(c1F)F)-c2sc(COc3ccc4ccn(CC(OC(C)(C)C)=O)c4c3)c(C)n2	2119
+CC(C)(C)OC(=O)Cn1ccc2ccc(OCc3nc(-c4ccccc4)sc3C)cc12	3947
+c1ccccc1-c2c3c(C(N(c4ccc(cc4)Cl)C(=N3)c5ccc(cc5)C(C)C)=O)n(CC(=O)O)n2	32
+n1(c2ccc(cc2c(n1)C(=O)N)Nc3nnccc3)CC(=O)O	32
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)CCCc1cc2c(cc1)OC(CC)C2	2676
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)Cc1c(cccc1)O	16
+C1COCCC1C(NC(C(NC)C)=O)C(=O)N2C(C(=O)Nc3c(cccc3F)C)Cc4cccnc24	255
+CC(C)(C)OC(=O)N(C(C(=O)NC(C(=O)N1C(C(=O)Nc2c(cccc2F)C)Cc3cccnc13)C4CCOCC4)C)C	33
+CC(C)(C)OC(=O)N(C(C(=O)NC(C(N1C(Cc2c1nccc2)C(=O)O)=O)C3CCOCC3)C)C	3
+c1ccccc1CC(C(C)NC(C(NC)CC(C)C)=O)=O	255
+CC(C)(C)OC(=O)N(C(C(NC(C(Cc1ccccc1)=O)C)=O)CC(C)C)C	612
+CC(C)(C)OC(=O)N(C(C)C(NC(C(=O)N1CCC2N(CC(C(=O)OC)C12)S(=O)(=O)C)C3CCCCC3)=O)C	112
+CC(C)(C)OC(N(Cc1cc(ccc1)N)C(C)C(F)c2ccccc2)=O	0
+CC(C)(C)OC(=O)N(C(C)C(=O)NC(C1CCCCC1)C(=O)N2CCC3NCC(C(=O)OC)C23)C	62
+CC(C)(C)OC(=O)N(C(C)C(NC(C(N1C2C(CN(C2CC1)S(=O)(=O)C)C(O)=O)=O)C3CCCCC3)=O)C	4
+CC(C)(C)OC(=O)N(C(C)C)C1CCNCC1	25
+CC(C)(C)OC(=O)N(Cc1ccc(cc1)C(=O)O)C(C)C	1
+CC(C)Nc1sc(-c2cn3c(c(c2)-c4ccccc4)nc(CO)c3)cn1	2770
+CC(C)(C)OC(=O)N(C(C)C)c1ncc(-c2cc(c3n(c2)cc(CO)n3)-c4ccccc4)s1	874
+CC(C)(C)OC(=O)N(C(C)C)c1ncc(-c2cn3c(c(-c4ccccc4)c2)nc(C(=O)O)c3)s1	6
+CC(C)Nc1sc(-c2cn3cc(nc3c(c2)-c4ccccc4)C(=O)OCC)cn1	2770
+CC(C)(C)OC(=O)N(C(C)C)c1ncc(s1)-c2cc(c3nc(C(NC)=O)cn3c2)-c4ccccc4	312
+CC(C)Nc1sc(-c2cn3c(nc(C(NC)=O)c3)c(-c4ccccc4)c2)cn1	2770
+CC(C)(C)OC(=O)N(CCOc1c(cccc1)OCC)C(C)Cc2cc(c3NCCc3c2)C#N	621
+CC(C)(C)OC(=O)N(C)C(CCC#N)c1ccc(cc1)OCc2ccccc2	2771
+CC(C)(C)OC(N(C(CCN1c2c(N(c3c(F)cccc3)S1(=O)=O)cccc2)c4ccccc4)C)=O	1909
+CC(C)(C)OC(=O)N(CC(=O)N(C)OC)C(C=C)COC	1541
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C(CCCO)(C)C(OC1CCCC1)=O	35
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)Cc1c(cc(cc1OC)C(=NO)N)OC	253
+C1Oc2c(c(N)ccc2C3C1OCC3)C(=O)OC	7200
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2nn(CCC)c(c2c3ccccc3n1)CCCCOC(C)=O	2120
+c1c2c(cc(c1COc3cc(Cl)c(F)cc3)Cl)c(N)no2	7201
+C(CCCc1n(nc2c1c3ccccc3nc2N)CCC)O	7202
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2nn(CCC)c(CCCC=O)c2c3ccccc3n1	24
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2nn(CCC)c(c2c3ccccc3n1)CCCCO	59
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1ncc(cc1)C=CC(=O)O	108
+n1c(ccc(C=CC(NCCCCc2ccc(C(NC)=O)c(NCC)n2)=O)c1)N	7203
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2cc(Cl)c(cc2on1)COc3cc(c(cc3)F)Cl	22
+c1(C)cc(C=CCC(C)NC)cnc1N	2
+CC(C)(C)OC(N(C(Cc1ccccc1)CCN)C)=O	51
+CC(C)(C)OC(=O)N(C)C(C)CC=Cc1cc(cnc1)OC(C)C	1514
+CC(C)(C)OC(=O)N(C)C(C)CC=Cc1cnc(c(C)c1)N	1514
+CC(C)(C)OC(N(C(C)CC=Cc1ccc2OCOc2c1)C)=O	858
+CC(C)(C)OC(=O)N(C(CCO)c1ccc(cc1)OCc2ccccc2)C	665
+CNC(CNC(=O)c1cc(ccc1)C(OCCNC(=O)OC)c2cccc(c2)Cl)CC3COCCC3	2
+CC(C)(C)OC(N(C)C(CNS(=O)(=O)C)Cc1ccccc1)=O	111
+CC(C)(C)OC(N(C(c1ccc(cc1)OCc2ccccc2)CC(OCC)=O)C)=O	22
+c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC	2
+C1CC(CCN1c2ccc(C#N)cn2)C(=O)N3CC(c4ccc(cc4)Cl)C(NC)C3	2
+C1CC(CCC1N(c2c(C)c(C(NCc3c(C)n(nc3OC)C)=O)cc(Cl)c2)CC)NC	2
+CC(C)(C)OC(N(C)C1CCC(CC1)OC(C(c2cccs2)(c3cccs3)O)=O)=O	2630
+CC(C)(C)OC(N(C1CCN(CC1)c2nnc(c(c2C)C)Cl)C)=O	212
+C1N(CC1NC)c2c3nnnn3c(cn2)-c4cccs4	2
+CC(C)(C)OC(=O)N(C)C1CN(C1)c2c3n(c(cn2)-c4cccs4)nnn3	7204
+CC(C)OC(c1c(N2CCC(NC)C2)nccc1)=O	2
+CC(C)(C)[Si](C)(C)OCC1OC2SC(=NC2C(O)C1O)N(C)C(=O)OC(C)(C)C	19
+CC(C)(C)OC(N(CC(=O)N1C(CC(C1)N=[N+]=[N-])C(=O)OC)C)=O	298
+CC(C)(C)OC(=O)N(CC(N(c1cccc(Cl)c1)CCCNC(OC)=O)=O)C	429
+CC(C)(C)OC(N(C)CCCC#Cc1c(N)ccc(c1)C(=O)Nc2ccc(c(c2)OC)OC)=O	121
+CC(C)(C)OC(=O)N(C)CCCCN(Cc1c(C)cc(cn1)C)Cc2nccc3c2cccc3	315
+C(COC)CCN(CCNC)c1c(-c2cccc(c2)CC)c(Cl)ccc1	2
+CC(C)(C)OC(N(CCN(C)Cc1c2cc(ccc2n(C3OCCCC3)n1)Oc4ccc(cc4)[N+](=O)[O-])C)=O	315
+CC(C)(C)OC(N(CCN(Cc1c(nn(C2OCCCC2)c1)-c3ccc(cc3)[N+](=O)[O-])C)C)=O	678
+CC(C)(C)OC(=O)N(CCN(Cc1nn(c2ccc(I)cc12)C3OCCCC3)C)C	315
+CC(C)(C)OC(N(CCN(CC1=Nc2ccc(cc2C(N1c3ccccc3)=O)[N+](=O)[O-])C)C)=O	4077
+CC(C)(C)OC(N(CCOCCNc1c(cnc2ccccc12)[N+](=O)[O-])C)=O	105
+CC(C)(C)OC(N(Cc1c(cccc1Br)N)C)=O	0
+CC(C)(C)c1onc(NC(n2c3c(cc2C)c(c(cc3)Oc4cc(CNC)ncn4)F)=O)c1	2
+CC(C)(C)OC(=O)N(C)Cc1cc(Oc2c(c3c(n(c(c3)C)C(Nc4cc(on4)C(C)(C)C)=O)cc2)F)ncn1	2121
+C1CN(CCO1)c2nc(-c3cc(ccc3)O)nc4c2sc(CNC)c4	2
+CC(C)(C)OC(=O)N(C)Cc1cc(F)c(C=NO)cc1	135
+CC(C)(C)OC(=O)N(C)Cc1ccc(c(F)c1)C=O	39
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)N	0
+CC(C)(C)OC(N(Cc1cccc(CCN)c1)C)=O	51
+CC(C)(C)OC(=O)N(C)Cc1cc2c(c(nc(n2)-c3cc(ccc3)O)N4CCOCC4)s1	2099
+FC(F)(F)c1cn2c(n1)c(ccc2)NC	7205
+CC(C)(C)OC(=O)N(C)c1cccn2c1nc(C(F)(F)F)c2Cl	2772
+CC(C)(C)OC(N(c1cc(Nc2nc(ncc2F)Nc3ccc(cc3)OCCOCOCCOC)ccc1)C)=O	55
+CC(C)(C)OC(N(c1ncnc(c1)NN)C)=O	1021
+CC(C)(C)OC(=O)N(C)c1cc(Nc2nc(ncc2F)Cl)ccc1	73
+CC(C)(C)OC(=O)N(C)c1cc(-n2c(N)c(cn2)C(=O)O)ncn1	6
+CC(C)(C)OC(=O)N(C1(CCC(CC1)Oc2ncnc3sc4CCC(CC(=O)N)c4c23)C)C	527
+C1CC(CCC1(C)NC)Oc2ncnc3sc4CCC(CC(=O)N)c4c23	2
+c1ccccc1CN2CC(NCc3c(F)cc(cc3)F)CC2C(=O)N4CCC(CC4)c5ccccc5	2
+C1C(CCCC1c2c3cc(NC(c4sccc4)=N)ccc3[nH]c2)NCC	2
+CC(C)(C)OC(=O)N(C1CC(CCC1)c2c[nH]c3ccc(NC(=N)c4sccc4)cc23)CC	1139
+CC(C)(C)OC(=O)N(C1CC(c2c3c(ccc(c3)N)[nH]c2)CCC1)CC	0
+CC(C)(C)OC(=O)N(C1CCC(=CC1)c2c[nH]c3ccc(cc23)N)C	0
+CC(C)(C)OC(=O)N(C1CCC(c2c3c(ccc(c3)NC(=N)c4sccc4)[nH]c2)=CC1)C	1139
+CC(C)(C)OC(N(Cc1ccc(cc1)-c2ccccc2)C3CC(C(=O)N(OC)C)CC3)=O	164
+C1CC(CCC1C#CCO)NC	2
+N(c1cc2c(C=3CCC(CC=3)NC)c[nH]c2cc1)C(c4sccc4)=N	2
+CN(C)C1CCC(=CC1)c2c3ncccc3[nH]c2	352
+C1CN(CCC1C(CCN2CCC(CC2)NCC3CC3)c4cc(F)cc(c4)F)S(=O)(=O)C	2
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2C(C=Cc3c2cccc3N)=O)Cc4cc5OCCOc5cc4	0
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2C(C=Cc3c2cccc3NC)=O)Cc4cc5OCCOc5cc4	7206
+C1N(CC1NC)c2c3nncn3c4c(n2)ncc(N)c4	2
+CC(C)(C)OC(=O)N(C1CN(C1)c2c3nncn3c4c(n2)ncc(N)c4)C	13
+CC(C)(C)OC(N(C1CN(C1)c2nc3ncc(cc3nc2NN)[N+](=O)[O-])C)=O	1386
+c1cc(ccc1[N+]([O-])=O)N2CC(CC2)NC	2
+CC(C)(C)OC(=O)N(C1CN(C1)c2c3n(ccn2)nnn3)C	2072
+CC(C)(C)OC(N(CC#C)CCNC(C)C)=O	285
+CC(C)(C)OC(N(CC=O)C(COC)C=C)=O	378
+CC(C)(C)OC(N(CCCc1ccc2cccnc2n1)CC(=O)OCC)=O	4078
+CC(C)(C)OC(N(CC(C(O)C1CCCCC1)N)C)=O	45
+CC(C)(C)OC(N(C)CC(CN(C(=O)OC(C)(C)C)C)O)=O	35
+Clc1cccc(c1)N(C(=O)CNC)CCCNC(OC)=O	255
+CC(C)(C)OC(=O)NC1CC(N(C(CN(C)C(=O)OC(C)(C)C)=O)C1)C(=O)OC	37
+C(=CCCC(=O)NCCNC(CNC)=O)CC=CCC=CCC=CCC=CCC=CCC	255
+CC(C)(C)OC(N(CC(NCC)=O)CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F)=O	9
+CC(C)(C)OC(N(Cc1ccccc1)CC(=O)Nc2ccc(cc2)-c3nc(sc3)N(C)C)=O	33
+CC(C)(C)OC(N(CCc1ccc(cc1)-c2ccc(c(CC(C)C)c2)C(OC)=O)CC(O)c3cccnc3)=O	11
+CC(C)(C)OC(N(c1nc(ccc1)CO)CC(OC(C)(C)C)=O)=O	194
+CC(C)(C)OC(=O)N(CC(O[Si](C)(C)C(C)(C)C)c1cnc(-n2c(ccc2C)C)cc1)CC3CCc4c(ccc(I)c4)O3	19
+CC(C)(C)OC(=O)N(CC(O)c1cnccc1)CCCc2ccc(cc2)-c3cc(c(cc3)C(=O)OC)OCC(C)C	11
+CC(C)(C)OC(N(CC1(c2ccccc2)CC1C=O)C)=O	24
+CC(C)(C)OC(=O)N(C1CCNCC1)CC2CC2	62
+CC(C)(C)OC(=O)N(c1n2ncc(Br)c2nc(Oc3ccccc3)c1)CC4CCOCC4	7207
+CC(C)(C)OC(=O)N(CCN1C(C(C(NC)=O)CC1)c2cc(nc(n2)-n3ccnc3)C)Cc4ccc5OCOc5c4	61
+CC(C)(C)OC(=O)N(Cc1ccc(c(c1)F)-c2cccc(C#N)c2)CCC(C)C	11
+CC(C)(C)OC(N(C)CCC1CCC(CC1)C(=O)O)=O	2773
+CC(C)(C)OC(=O)N(CCC1CCC(CC1)CO)C	59
+CC(C)(C)OC(N(CCCC(N1CCN(CC1)c2cc(nc(n2)C(C)(C)C)C3CCC3)=O)C)=O	10
+CC(C)(C)OC(=O)N(CCCCC(=O)O)c1ncccc1	4
+CC(C)(C)OC(=O)N(CCN1CCN(CC1)CCSc2oc3c(C(F)(F)F)cccc3n2)CCCCCCC	7208
+CCCN(CCC)CCCCNCc1ccc(cc1)CN(Cc2ncc[nH]2)Cc3nccn3C	2
+CC(C)(C)OC(=O)N(C)CCCCNCc1c(C)cc(C)cn1	294
+CC(C)(C)OC(=O)N(CC(O)=O)CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F	3
+n1c(NCCCNC)c(cnc1Cl)Br	2
+N(C)CCCc1cc2c(ccc(C(=O)Nc3ccc(OC)c(c3)OC)c2)[nH]1	2
+CC(C)(C)OC(=O)N1CCC(CC1)(C#N)c2ncccc2Br	7209
+CC(C)(C)OC(N(CCN(C)Cc1c2c(ccc(Oc3cc(Cl)ccc3)c2)n(C4OCCCC4)n1)C)=O	754
+CC(C)(C)OC(=O)N(CCN(c1cc2c(C(=O)N(CC(=O)O)C2=O)cc1)S(=O)(=O)C)CCOC	210
+C(NCCN1CCC(C(NC)=O)C1c2cc(nc(n2)-n3ccnc3)C)c4ccc5OCOc5c4	2
+C1CCCC1Oc2c(cc3c(N(CCNCc4ccccc4)C5=NC(=NC(C5=N3)=O)O)c2)C	2
+CC(C)(C)OC(=O)N1CC(OCC1)c2ccc(Br)c(c2)F	2774
+CC(C)(C)OC(N(Cc1c(cccc1)F)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N(CCOCCn1c(nc2c1c3ccccc3nc2N)CCOC)C	445
+CC(C)(C)OC(=O)N(CCOCCn1c2c3c(cccc3)[n+]([O-])cc2nc1CCOC)C	359
+CC(C)(C)OC(=O)N(CCOCCn1c(nc2c1c3ccccc3[n+]([O-])c2N)CCOC)C	574
+CC(C)(C)OC(=O)N(C(C)Cc1cc2CCN(CC(OCC)=O)c2c(C#N)c1)CCOc3c(cccc3)OCC	2319
+CC(C)(C)OC(=O)N(CCOc1ccc(cc1)N=C=S)CC	1034
+CC(C)(C)OC(=O)N(CCOc1ccc(cc1)N)CC	0
+N1(CCNCC1=O)CCc2ccc3c(c2)COC3=O	7210
+CC(C)(C)OC(=O)N(Cc1ccc(cc1)F)CCc2c(cc(cc2)N)Cl	0
+CC(C)(C)OC(N(CCc1ccc(cc1)-c2cc(NC(C)C)c(cc2)C(=O)OC)Cc3ccccc3)=O	11
+CC(C)(C)OC(N(Cc1ccccc1)CCc2ccc(cc2)Oc3ccc(cc3)[N+]([O-])=O)=O	46
+CC(C)(C)OC(=O)N(CCc1ccc(cc1)N)Cc2ccccc2	0
+CC(C)(C)OC(=O)N(CCc1ccc2c(COC2=O)c1)CC=O	2775
+CC(C)(C)OC(=O)N(CCc1cc2COC(=O)c2cc1)CCNCC(OCC)=O	1315
+CC(C)(C)OC(=O)N(CCc1ccccc1Cl)CCCSCCNCC(c2ccc(c3NC(Sc23)=O)O)O	110
+CC(C)(C)OC(=O)N(CCc1ccccc1Cl)CCCSCC=O	24
+CC(C)(C)OC(=O)N(Cc1cc(CCO)ccc1)CCc2ncccc2	168
+CC(C)(C)OC(=O)N(CCn1cc(cn1)-c2cc3nccc(Oc4ccc([N+]([O-])=O)cc4F)c3s2)C	4079
+CC(C)(C)OC(N(Cc1c(cccc1)N)C(C)C)=O	0
+CC(C)(C)OC(=O)N(Cc1nc2c(SCC(=O)N2C)cc1Cl)C3CCN(CC3)CCN4C(=O)C=Nc5ccc(cc45)OC	3395
+CC(C)(C)OC(N(C)Cc1ccc(OC)c(N)c1)=O	0
+CC(C)(C)OC(=O)N(Cc1cc(c(cc1)-c2ccc(cc2)N)C)CCC(C)C	0
+CC(C)(C)OC(=O)N(Cc1cc(c(-c2ccc(cc2)[N+](=O)[O-])cc1)C)CCC(C)C	11
+CC(C)(C)OC(=O)N(Cc1cc(c(-c2ccc(cc2)NS(=O)(=O)C)cc1)C)CCC(C)C	80
+CC(C)(C)OC(=O)N(Cc1ccc(c(c1)F)-c2cc(ccc2)C(=O)N=CN(C)C)CCC(C)C	2098
+CC(C)(C)OC(=O)N(Cc1ccc(-c2cccc(c2)C(N)=O)c(c1)F)CCC(C)C	216
+CC(C)(C)OC(=O)N(CCCCN(CCC)CCC)Cc1ccc(cc1)CN(Cc2n(C)ccn2)Cc3[nH]ccn3	566
+CC(C)(C)OC(=O)N(Cc1cn(c2c1ccc(c2)C(O)=O)S(=O)(=O)c3cnccc3)C	1
+CC(C)(C)OC(=O)N(C)Cc1cn(S(=O)(=O)c2cnccc2)c3c1ccc(c3)CO	49
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(cc5)CNCCOC)s4)ncc3	2
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)cc1)CCOC	680
+C1CN(CCC1NCc2c(Cl)cc3c(n2)N(C)C(CS3)=O)CCN4C(=O)C=Nc5ccc(cc45)OC	2
+CC(C)(C)OC(N1CC(CCl)c2c3c(ccc12)ccc(S(=O)(=O)C)c3)=O	4080
+CC(C)(C)OC(N(c1c(NC(COc2ccc(cc2)CC3SC(=O)NC3=O)=O)ccc(SC)c1)C)=O	33
+CC(C)(C)OC(=O)N(c1nc(c(cc1)C=O)F)Cc2cnc(OC)c(F)c2	687
+CC(C)(C)OC(=O)N(c1ccc(cc1)NC(=O)c2ccc(nc2Cl)C)CCc3ccccn3	246
+C1CCCCN1c2nc(ccc2C(=O)Nc3ccc(cc3)NCCc4ccccn4)C	396
+c1ccccc1COc2c(c(ccc2)NCC)[N+](=O)[O-]	396
+c1c2ccc(NC)cn2c(n1)C(=O)c3cc(C(=O)OC)c(cc3)[N+]([O-])=O	4081
+C1N(CC1)Cc2nccc(-c3cc(ccc3Oc4cc(F)c(S(=O)(=O)Nc5cscn5)cc4F)Cl)c2	7211
+CC(C)(C)OC(N(C1CN(Cc2ccc3c(CCO3)c2)CC1)c4ncc(C=CC(=O)OCC)cc4)=O	889
+CC(C)(C)OC(N(C1CN(CC1)Cc2ccc(cc2)OC)c3ncc(C=CC(=O)OCC)cc3)=O	48
+C1CC1CNc2cc(ccn2)-c3cccc(n3)C(Nc4c(C(N)=O)nn(C)c4)=O	2776
+CC(C)(C)OC(=O)N(c1nccc(-c2cccc(C(Nc3c(C(N)=O)nn(C)c3)=O)n2)c1)CC4CC4	2491
+CC(C)(C)OC(=O)N(c1nccc(-c2cccc(n2)C(=O)O)c1)CC3CC3	1
+CC(C)(C)OC(=O)N1C(=O)C(CC1)C	4082
+CC(C)(C)OC(N1C(C(=O)N(CC1)Cc2ccccc2)CCCC)=O	7212
+CCC(CC)c1cccc2NC(=O)N(CC(OCC)=O)c12	7213
+O=Cc1c2CCNC(c2c[nH]1)=O	7214
+CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC(N)=O	327
+CC(C)(C)OC(N1C(C(=O)O)CC(CCNC(=O)C=C)C1)=O	4
+CC(C)(C)OC(=O)N1CCn2c3c(cc(c(S(=O)(=O)C)c3)COC)nc2C1C(C)C	49
+CC(C)(C)OC(=O)N1C(CN(CC1)c2c3cc(C#N)c(Cl)cc3ncn2)C(N)=O	1572
+CC(C)(C)OC(=O)N1C(CN(c2c3c(cc(Cl)c(C4CC4)c3)ncn2)CC1)C(N)=O	365
+CC(C)(C)OC(N1C2CC(C1C(N3C(C#N)CCC3)=O)CC2OCC(=O)O)=O	3
+CC(C)(C)OC(N1CCCC1C(N2CCCC2C(O)COc3ccccc3)=O)=O	4083
+CC(C)(C)OC(=O)N1CCCC1C(N)=O	83
+CC(C)(C)OC(N1CCCC1C(=O)NC(Cc2ccccc2)C(=O)NC(CCCNC(N[N+]([O-])=O)=N)C(O)=O)=O	207
+CC(C)(C)OC(N1CCCC1C(=O)Nc2cc(ccc2)-c3ccc(cc3)Cl)=O	33
+CC(C)(C)OC(N1C(C(NCCCc2ccccc2)=O)CCC1)=O	9
+CC(C)(C)OC(N1C(CCC1c2ccccc2)C(Nc3nc(cs3)-c4ccc(cc4)C(NC5CC5)=O)=O)=O	373
+CC(C)(C)OC(=O)N1C(C(N)=O)CN(c2ncnc3c2cc(c(Cl)c3)Br)CC1	1360
+CC(C)(C)[Si](C)(C)OCC1C(CCN1C(=O)OC(C)(C)C)O	19
+CC(C)(C)OC(N1CC(N)CC1C(OCC)=O)=O	18
+c1ccccc1CONC2CCC(NC2)C(OCC)=O	4084
+CC(C)(C)OC(=O)N1C(C)(C)CNC2(CCCC2)C1	25
+FC(F)(F)c1c(CN2CCNC(C)(C)C2)ccc(N3CCOCC3)c1	2
+CC1(C)NCCN(c2ccc(cc2OC)[N+](=O)[O-])C1	2
+CC1(C)NCC(N(c2c(C)cccc2)C1)=O	255
+CC(C)(C)OC(=O)N1C(C)(C)CN(c2c(OC)cc(cc2)[N+](=O)[O-])CC1	34
+CC(C)(C)OC(=O)N1C(C)(C)CN(CC1)Cc2ccc(N3CCOCC3)cc2C(F)(F)F	48
+CC(C)(C)OC(=O)N1CCN(Cc2ccc(cc2)C(C)Nc3nc(N4C(=O)OCC4C(C)C)ccn3)CC1(C)C	48
+CC(C)(C)OC(NC(CC1COCCC1)CO)=O	2777
+c1cc(ccc1)C(C)=CCC(CO)N	2122
+CC(C)(C)OC(N1C(C)CCC(C(NOC(c2ccc(cc2)F)=O)=N)C1)=O	7215
+CC(C)(C)OC(=O)N1CC(C(O)=O)CCC1C	4
+CC(C)(C)OC(N1C(C)CCC(C1)COC)=O	21
+C1CC1NC(c2cc(-c3cc4C(=CN(CC5CC5)C(c4cc3)=O)CN6CCNC(C)C6)c(c(F)c2)C)=O	2
+CC(C)(C)OC(N1C(CN(Cc2cnc(cc2)NC)CC1)C)=O	565
+CC(C)(C)OC(=O)N1CCN(c2cnc(cc2)[N+]([O-])=O)CC1C	244
+C1CC1C2CN(CCN2)c3nc(C4CC4)c(N(C)c5ccnc(Cl)c5)cc3C#N	2
+CC(C)(C)OC(=O)N1C(CN(CC1)c2nc(c(cc2C#N)Nc3cc(ncc3)Cl)C4CC4)C5CC5	1674
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3cnc(C4N(C(OC(C)(C)C)=O)C5CCC4C5)[nH]3	17
+CC(C)(C)OC(=O)N1CCCC1C(COc2ccccc2)O	626
+Fc1cc(cc(F)c1)CC2NC(OC2C3NCc4c(C3)cccc4)=O	2
+CC(C)(C)OC(=O)N1CC(N(OCC=C)S(=O)(=O)c2c(cccc2)[N+](=O)[O-])C(=CC1COC)C(=O)N(C)C	76
+CC(C)(C)OC(=O)N1C(CCOC)CCCC1	21
+CC(C)(C)OC(N1C(C(=O)N2CCSC2)CC(CN)C1)=O	51
+CC(C)(C)OC(=O)N1C(CO)CC(OC)C1	35
+O=S(=O)(C1CC(NC1)C(=O)NC2(CC2)C#N)c3ccccc3Cl	255
+CC(C)(C)OC(N1CCCCC1Cc2cn3c(n2)cc(C(F)(F)F)cc3)=O	3258
+CC(C)(C)OC(N1CC(CC1CO)N)=O	18
+CC(C)(C)OC(=O)N1CC(CC1C(OCC)=O)O	27
+CC(C)(C)OC(N1CC(CC1C(NC2(CC2C=C)C(=O)OCC)=O)O)=O	188
+CC(C)(C)OC(N1C(CC(O)C1)C(N)=O)=O	83
+CC(C)(C)OC(N1CC(CC1COc2c3c(ncnc3cc(c2)OC)Nc4cc(c(F)cc4)Cl)O[Si](C)(C)C(C)(C)C)=O	3431
+CC(C)(C)OC(=O)N1C(CCC(O)=O)CC(Oc2c3c(c(-c4ccccc4)oc3ncn2)-c5ccc(cc5)OC)CC1	4
+CC(C)(C)OC(=O)N1CCC1CN	18
+CC(C)(C)OC(N1C(C)(CC2(CC2)CC1)C(=O)NC(C)c3ccc(cc3)C(=O)OC)=O	9
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	273
+CC(C)(C)OC(=O)N1C(CC(F)(F)C1)CCC(=O)O	3
+CC(C)(C)OC(N1C(CCOC)CCC(C1)N(C(OCc2ccccc2)=O)C(C)C)=O	76
+c1cc(ccc1)-c2c(c3c(ncnc3o2)OC4CC(CCC(O)=O)NCC4)-c5ccc(cc5)OC	2
+c1cc(ccc1Cl)CC=2c3ccccc3C(N(N=2)CC4NCCC4)=O	2
+c1ccccc1Cc2ccc(cc2)OCC3NCCC3	2
+c1ccccc1Oc2ccc(cc2)OCC3NCCC3	2
+c1(Cl)c(Cl)nc2c(oc(C3NCCC3)c2)c1	2
+CC(C)(C)OC(=O)N1C(CCC1)c2nn(-c3cccc(c3)C#N)nn2	160
+c1(cccc(C#N)c1)-n2nc(C3NCCC3)nn2	2
+CC(C)(C)OC(=O)N1C(CCCC1)CCOc2c3cc(c(cc3nc(O)c2-c4cc(C)cc(C)c4)Cl)N	0
+Cc1cc(cc(C)c1)-c2c(c3c(nc2O)cc(Cl)c([N+]([O-])=O)c3)OCCC4CCCCN4	2
+Cc1cc(cc(C)c1)-c2c(O)nc3c(cc(c(c3)Cl)NC(NC4CC4)=O)c2OCCC5CCCCN5	2
+CC(C)(C)OC(=O)N1CCCCC1CCNc2nccc(O)c2[N+]([O-])=O	70
+CC(C)(C)OC(=O)N1C(CCNc2c3c(ccn2)oc(Cc4cc(Cl)ccc4-n5cncn5)n3)CCCC1	7216
+n1c(Cc2cc(Cl)ccc2-n3ncnc3)oc4c1c(NCCC5NCCCC5)ncc4	2
+CC(C)(C)OC(N1CCCCC1CCO)=O	88
+c1cc(ccc1-c2[nH]c3cc(ccc3n2)C(N)=O)OCCC4CCCCN4	2
+c1cc(ccc1NS(=O)(=O)c2cccc3cnccc23)CCC(N)CO	2122
+CC(C)(C)OC(=O)N1CCN(CC1CCOS(=O)(=O)C)C(OCc2ccccc2)=O	7
+C1C(NCCN1c2ncnc3cc(Cl)c(cc23)C#N)C(=O)N	255
+CC(C)(C)OC(=O)N1C(C2CC2)CN(c3c(cc(N(C)c4ccnc(Cl)c4)c(C5CC5)n3)C#N)CC1	4085
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(=O)O)C	4
+CC(C)(C)OC(N1C(C)CN(c2c3CN(CCc3nc(-c4c(C)cccc4C)n2)Cc5ccccc5)C(C)C1)=O	345
+CC(C)(C)OC(=O)N1C(CNC(=O)C(F)(F)F)C2CCC1C2	605
+CC(C)(C)OC(=O)N1CCCC1CNc2ccn3nccc3n2	2447
+C(N1C(=O)c2c(cccc2)C(=N1)Cl)C3NCCC3	2
+FC(F)(F)C(NCC1NC2CC1CC2)=O	2
+C1C(NCC1)(CNCc2c(Cl)cccc2)C	2
+c1cc(ccc1)-c2cc(Oc3ccc(cc3)C#N)c(NCC4NCCC4)cc2	2
+CC(C)(C)OC(N1C(COC1(C)C)CC(COS(=O)(=O)c2ccc(cc2)C)CCCO)=O	2764
+CC(C)(C)OC(=O)N1C(CCc2ccc(cc2)NS(=O)(=O)c3cccc4cnccc34)COC1(C)C	69
+CC(C)(C)OC(N1C(C)(C)OCC1CCc2ccc(cc2)Nc3ccc(cc3)Cl)=O	230
+c1cc(ccc1F)N2CCN(CC2)C(OCC3NCCOC3)=O	2
+CC(C)(C)OC(N1C(Cc2cc([N+](=O)[O-])ccc2C1)C(O)=O)=O	3
+CC(C)(C)OC(=O)N1Cc2[nH]c3c(c2CC1C(N)=O)cccc3	83
+CC(C)(C)OC(N1C(Cc2c(n(c3c2cccc3)Cc4ccc(cc4)F)C1)C(=O)O)=O	190
+CC(C)(C)OC(N1C(Cc2c(C1)n(c3ccccc23)Cc4ccc(cc4)F)CN)=O	15
+C(C1CCCCN1)c2nc3ccccc3o2	2
+c1ccccc1Oc2cc(c(cc2)-c3nn(CC4NCCC4)c5ncnc(N)c35)F	2
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(ncnc4N)n(CC5NCCC5)n3)F	2
+c1cc(ccc1-c2c3c(ncnc3N)n(CC4NCCC4)n2)Oc5cc(F)cc(c5)F	2
+CC(C)(C)OC(=O)N1C(=O)N(CC(=O)OCC)c2c(cccc12)C(CC)CC	4073
+CC(C)(C)OC(=O)N1C(=O)c2c(c([nH]c2)C=O)CC1	413
+O(c1ncc(F)cc1C2CCCN2)C	2
+CC(C)Oc1c(cc(cc1)-c2onc(-c3cc4c(C(CCC(=O)OC)NCCC4)cc3)n2)Cl	2
+CC(C)(C)OC(=O)N1C(c2nc(no2)N3CCC(CC3)C(C)CCOc4ccc(cc4)S(=O)(=O)C)CCC1	20
+c1cc(ccc1OCCC(C2CCN(CC2)c3nc(on3)C4NCCC4)C)S(=O)(=O)C	2
+CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]ccc23)CC14CC4	778
+C1CN(CCC12NCCCC2)C(c3ccc(cc3)-c4cn5c(-c6ccc(cc6)C#N)cnc5cc4)=O	2
+C12C(NCC1)CN(C)C2	2
+CC(C)(C)OC(=O)N1CC2CC1C(c3onc(C)c3)=CC2	7217
+[N-]=[N+]=NCC1C2NC(CC2)C1	2
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(COS(=O)(=O)C)C3CCCCC3	7
+CC(C)(C)OC(N1C2CC(CC1CC2)(c3ccccc3)CO)=O	21
+CC(C)(C)OC(N1C2CCC1CC(C2)C#[N+]CS(=O)(=O)c3ccc(cc3)C)=O	1141
+CC(C)(C)OC(N1C2CCC1CC(C2)NC(CCCc3cnn[nH]3)=O)=O	9
+CC(C)(C)OC(N1C2CC2CC1CN)=O	273
+CC(C)(C)OC(N1C(C=O)CC2CC12)=O	24
+CC(C)(C)OC(=O)N1C2CC(CC1CC2)(C3CCCCC3)CO	21
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(CSC)C3CCCCC3	786
+CC(C)(C)OC(N1C2CC(CC1CC2)(Cn3cncn3)C4CCCCC4)=O	7218
+C1C2CCC(CN1c3ncccc3Cl)N2	2
+CC(C)(C)OC(N1C2CCCC2CC1C=O)=O	24
+C1CCC2NC(N(C)C12)=O	7219
+CCOC(=O)c1c(C)nc(s1)N2CC3C2CCN3	2
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4CC5CCC(C4)N5	2
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)c3cc4C(C(C(N(C(C)=O)c4cc3)C)C)Nc5ccccc5	250
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)c3ccc4N(C(C)=O)C(C)C(C)C(c4c3)N	102
+CC(C)(C)OC(=O)N1C2CCC1CN(C2)c3ccnc(Nc4cc(C)c(C(OCC)=O)nc4)n3	949
+CC(C)(C)OC(=O)N1C2CCC1CN(C2)c3c(cccn3)Cl	323
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)C(=O)OCC3c4c(-c5c3cccc5)cccc4	66
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)c3ccc4c(c3)C(NC(=O)OCc5ccccc5)C(C(C)N4C(C)=O)C	79
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)c3ccnc(n3)Cl	54
+CC(C)(C)OC(N1Cc2c(nc(nc2)SC)C1)=O	7220
+CC(C)(C)OC(=O)N1Cc2c(C3(CCC3)C)[nH]nc2CC1	3403
+CC(C)(C)OC(N1CC(CCC1C)C(=O)C)=O	591
+CC(C)(C)OC(=O)N1CC(CC(CO)C1)N(C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C)C	21
+CC(C)(C)OC(=O)N1CC(C(=O)OC)CC(NCC(C)C)C1	110
+CC(C)(C)OC(N1CC(N(CC(C)C)C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C(=O)OC)C1)=O	7221
+CC(C)(C)OC(=O)N1CC(C(OC)=O)CC(N(CC(C)C)C(=O)c2nc3c(cccc3)[nH]2)C1	7222
+CC(C)(C)OC(=O)N1CC(C(=O)OCC)C(NC(=O)OCc2ccccc2)C1	101
+CC(C)(C)OC(N1CC(NC(=O)OCc2ccccc2)C(C(O)=O)C1)=O	3
+CC(C)(C)OC(N1CCN(C(C(=O)OCC)C1)S(=O)(=O)c2ccc(cc2)OCC#CC)=O	1387
+CC(C)(C)OC(N1CCN(S(=O)(=O)c2ccc(cc2)F)C(C(=O)OCC)C1)=O	1387
+CC(C)(C)OC(=O)N1CC(C(C(=O)OCC)C1)CNC(C)C	110
+CC(C)(C)OC(=O)N1CC(C(CN(C(C)C)C(=O)c2cc(c(cc2)OC)OCCCOC)C1)C(=O)OCC	30
+c1ccccc1CC2C(CNC2)CN(C(C)C)C(=O)C3CC(Nc4ccccc34)=O	2
+CC(C)(C)OC(=O)N1CC(C(=O)N2CC(CCC2)Cc3ccc(cc3)F)C(NC(Nc4cccc(C(C)=O)c4)=O)CC1	282
+CC(C)(C)OC(=O)N1CCC(C(C(N2CC(CCC2)Cc3ccc(cc3)F)=O)C1)NC(OCc4ccccc4)=O	10
+c1ccccc1COC(=O)NC2C(CNCC2)OC	2
+c1ccccc1COC(NC2CN(c3nc(c(C(OCC)=O)s3)C)CCC2NC(c4[nH]c(Cl)c(CC)n4)=O)=O	4086
+CC(C)(C)OC(=O)N1CC(C(O)=O)C(C1)CN(C(C)C)C(=O)c2cc(c(cc2)OC)OCCCOC	3
+CC(C)(C)OC(=O)N1CC(C(C1)CN(C(C)C)C(C2CC(Nc3ccccc23)=O)=O)Cc4ccccc4	10
+CC(C)(C)OC(N1CC(c2ccccc2)C(C1)C=O)=O	24
+CC(C)(C)OC(N1CC(C(OCC)=O)C(C1)CO)=O	21
+CC(C)(C)OC(=O)N1CC(CN(C(C)C)C(c2cc(c(cc2)OC)OCCCOC)=O)C(CO)C1	21
+CC(C)(C)OC(N1CC(C(=O)NCc2ccccc2)C(CN(C(=O)c3cc(c(cc3)OC)OCCCOC)C(C)C)C1)=O	9
+CC(C)(C)OC(N1CC(C(=O)Nc2cc(Cl)ccc2O)CCC1C)=O	33
+CC(C)(C)OC(=O)N1CC(C(=O)N(C)OC)CCC1C	164
+c1(-c2cc(ccc2)CN3C(CNCC3)C(=O)O)ccnc(Cl)n1	2
+CC(C)(C)OC(=O)N1CCCC(C(OCC#N)c2cc(Cl)cc(c2)F)C1	4087
+CC(C)(C)OC(N1CC(C(CC1)=O)OC)=O	7223
+CC(C)(C)OC(=O)N1CC(N(C(=O)c2n(c3c(cccc3)n2)CCCCOC)CC(C)C)CC(C1)C(=O)OC	4088
+Clc1cccc(C=CC(=O)N2C(C(OC)=O)CNCC2)c1	2
+CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O	74
+CC(C)(C)OC(N1CCOC(c2ccc(c(Cl)c2)Cl)C(CNS(=O)(=O)C)C1)=O	111
+CC(C)(C)OC(=O)N1CC(C=O)C(CC1)c2ccc(cc2)F	24
+CC(C)(C)OC(=O)N1CCC(c2ccc(cc2)OCCCOCc3c(F)cccc3)C(=NOCc4ccccc4)C1	350
+CC(C)(C)OC(=O)N1CCC(C(C)(C)C1)N	316
+CC(C)(C)OC(=O)N1CC(C)(C)C(Cc2ccc(cc2)Cl)(CC1)O	3892
+CC(C)(C)OC(=O)N1CCC(C(C)(C)C1)NCc2ccccc2	87
+c1cc(ccc1CC2(O)CCNCC2(C)C)Cl	2
+CC(C)(C)OC(=O)N1CC(C)(C)c2cc(c(Cc3ccc(cc3)F)cc12)C#N	160
+CC1(C)c2c(NC1)cc(c(C#N)c2)Cc3ccc(cc3)F	396
+CC(C)(C)OC(=O)N1CC(CCC1CNCc2ccccc2)C	110
+c1(-c2ccsc2)cc(cc(c1)N3C(CNCC3)C)F	2
+CC(C)(C)OC(N1CC(N(c2c3CN(c4cc(C(C)C)ccc4C)CCc3nc(n2)-c5c(C)cccc5C)CC1C)C)=O	908
+CN(C)C(c1cc(Cl)cc2c1oc(N3CCNCC3C)n2)=O	2
+CC(C)(C)OC(=O)N1CC(N(c2nc3c(c(cc(Cl)c3)C(=O)OCC)o2)CC1)C	2647
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1C)c(C(=O)N4C(CN(CC4)C(OC(C)(C)C)=O)C)cn2	2778
+CC(C)(C)OC(=O)N1CC(C)N(c2cc(-c3cscc3)cc(F)c2)CC1	79
+CC(C)(C)OC(N1CC(C)N(CC1)c2ccc([N+]([O-])=O)nc2)=O	244
+CC(C)(C)OC(N1CC(N(Cc2ccc(cc2)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5)CC1)C)=O	48
+CC(C)(C)OC(=O)N1CCN(C(C)C1)c2c3c(nc(n2)N)ccc(n3)-c4ccc(cc4)F	7224
+CC(C)(C)OC(N1CC(N(CC1)Cc2ccccc2)C)=O	131
+CC(C)(C)OC(N1CC(N(CC1)c2c3c(COC3C)ncn2)C)=O	54
+CC(C)(C)OC(N1CC(C1)(C2N(CCCC2)C)CN)=O	51
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2n3ncc(-c4cnn(C5(CNC5)CC#N)c4)cc3nc2	2
+C1NCC1(C2CCCCN2C)CNC(=O)c3c(ccc(F)c3Cl)F	2
+CC(C)(C)OC(N1CC(C1)C2CCN(CC2)C(=O)c3sccn3)=O	1999
+CC(C)(C)OC(=O)N1CC(C1)CNc2nc(nc3c2scc3)Cl	3925
+C1C(CN1)CNc2nc(nc3c2scc3)Cl	2
+CC(C)(C)OC(N1CC(C1)COS(=O)(=O)C)=O	7
+FC(F)(F)C(N1CC(C1)Cc2c(OC)cccc2)=O	7225
+C1NCC1Cc2onc(-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)n2	2
+FC(F)c1sc(C(Nc2n(CC3CNC3)c4ccccc4n2)=O)cc1	2
+C1NCC1N(C)C(C)(C)C(N)=O	2
+C1NCC1N2CCNC(=O)C2	2
+CC(C)(C)OC(N1CC(C1)N2CCN(CC2)C(CNc3c(OC)cc(Cl)c(I)c3)=O)=O	10
+C1COCCN1C2CNC2	2
+C1NCC1NC(Nc2cc(F)c(cc2)Oc3c4c(ncc3)cc(s4)-c5ccc(cn5)C6OCCO6)=O	2
+CC(C)(C)OC(N1CC(C1)Oc2ccc(Br)c(c2)[N+]([O-])=O)=O	624
+CC(C)(C)OC(=O)N1CC(C1)Oc2c3c([nH]cc3)c(cc2)C#N	2779
+CC(C)(C)OC(N1CC(C1)c2c(OC)c(cc(Cl)c2C)C(C)N)=O	1354
+CC(C)(C)OC(=O)N1CC(C1)c2c(c(cc(c2F)Cl)C(O)C)OC	74
+C1NCC1c2nc(no2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C	2
+CC(C)(C)OC(N1CCC(C1)c2cc(Cl)n3c(ccn3)n2)=O	1591
+CC(C)(C)OC(=O)N1C(C(=O)OC)CC(CCO)C1	21
+CC(C)(C)OC(N1CC(N(CC(C)C)C(=O)c2nc3c(cccc3)n2CCCCOC)CC(C1)C=4NOC(=O)N=4)=O	7226
+CC(C)(C)OC(N1CC(CC(C(N2CCOCC2)=O)C1)NS(=O)(=O)c3c(cccc3)[N+](=O)[O-])=O	71
+CC(C)(C)OC(N1CC(O[Si](C)(C)C(C)(C)C)CC(C1)CN=[N+]=[N-])=O	600
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	18
+CC(C)(C)OC(N1CC(C(=O)N)CC(N(C(c2n(c3c(cccc3)n2)CCCCOC)=O)CC(C)C)C1)=O	83
+CC(C)(C)OC(N1CC(CC(N(C(c2nc3c(cccc3)n2CCCCOC)=O)CC(C)C)C1)c4onc(C)n4)=O	1166
+CC(C)(C)OC(N1CC(C(=O)O)CC(N=[N+]=[N-])C1)=O	4
+CC(C)(C)OC(=O)N1CC(CC1)(N2CCC(CC2)Nc3cc(c(F)cc3[N+](=O)[O-])C)C	60
+CC(C)(C)OC(=O)N1CCC(C)(N2CCC(CC2)=O)C1	86
+c1cc(ncc1Br)C(=O)C2CCNC2	2
+C(C1CCNC1)C(OCC)=O	2
+C1N(C(=O)CC)CCC1CC(OCC)=O	1324
+CC(C)(C)OC(=O)N1CC(CS(Cc2ccc(cc2)F)=O)CC1	441
+CC(C)(C)OC(=O)N1CCC(N(Cc2ccc(cc2)Cl)CC(NCC)=O)C1	9
+C1CN(CCN1C(=O)Nc2cc(Cl)c(Cl)cc2)C3CNCC3	2
+O=S(=O)(N)c1cc(c(NC2CCNC2)cc1)[N+]([O-])=O	2
+c1(ncnc2n(c(nc12)C(=O)OC)CC)NC3CNCC3	2
+CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(cc3)Oc4ccccc4)c5c2ncnc5N)C1	2123
+CC(C)(C)OC(=O)N1CC(F)CC1C#N	2124
+CC(C)(C)OC(N1C(CC(C1)F)C(=O)NCc2ncc(c(-c3ccc(nc3)C(F)(F)F)c2)Cl)=O	9
+CC(C)(C)OC(N1C(C(=O)NCc2cc(C(OC)=O)cc(Cl)c2F)CC(C1)F)=O	9
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)CCP(OCC)(OCC)=O	1586
+CC(C)(C)OC(N1C(CC(C1)Nc2c3c(cccc3)nc(-c4ccccc4OC)n2)C(OC)=O)=O	40
+N1(CCSC1)C(=O)C2NCC(CNC(c3cccc(-c4nnn[nH]4)c3)=O)C2	255
+CC(C)(C)OC(=O)N1CC(OC)CC1C(=O)Nc2ccc(cc2F)-n3ccc(C)n3	33
+CC(C)(C)OC(=O)N1CC(OC)CC1C(=O)Nc2c(cc(N3CCCCC3=O)cc2)F	33
+CC(C)(C)OC(=O)N1CC(c2ccccc2)CC1COC	21
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)c2ccc(cc2)C)CC1C(OCC)=O	36
+c1cc(ccc1)C2CNC(C)C2	2
+CC(C)(C)OC(N1C(CC(NS(=O)(=O)c2c(ccc(Br)c2)OC)C1)CN3C(c4ccccc4C3=O)=O)=O	71
+CC(C)(C)OC(N1CC(c2ccccc2)CC1COS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1CCCC(c2nc(-c3cc(C(C)C)c[nH]3)on2)C1)=O	3786
+CC(C)(C)OC(=O)N1CC(CCC1)C(c2cc(ccc2C)F)O	74
+CC(C)(C)OC(=O)N1CC(C(O)c2cc(cc(c2)Cl)F)CCC1	74
+CC(C)(C)OC(N1CC(C#N)CCC1)=O	143
+CC(C)(C)OC(=O)N1CCCC(C(c2cc(ccc2C)F)OCC#N)C1	4087
+CC(C)(C)OC(=O)N1CCCC(C1)CNc2c3nccnc3cc(-c4cn(Cc5ccccc5)nc4)n2	1675
+CC(C)(C)OC(=O)N1CCCC(COc2ccccc2O)C1	16
+c1cc(ccc1-n2c(nc3c(NC4CCCNC4)ncnc23)-c5c(cccc5)Cl)Cl	2
+CC(C)(C)OC(N1CC(CCC1)c2cc(nc(N)c2C(N)=O)-c3ccccc3OCc4ccccc4)=O	4089
+FC1(F)Oc2ccc3c4n(nc(C5CNCCC5)n4)c(N)nc3c2O1	2
+CC(C)(C)OC(N1C(CCC(C1)C#N)C)=O	143
+CC(C)(C)OC(=O)N1C(CCC(N(C(OCc2ccccc2)=O)C(C)C)C1)CCO	21
+CC(C)(C)OC(N1CC(C)CCC1CN)=O	273
+CC(C)(C)OC(=O)N1c2cc(OC(=O)C)c3c(cccc3)c2C(CCl)C1	385
+CC(C)(C)OC(N1CC(c2c1cc(N)c3ccccc23)CCl)=O	0
+CC(C)(C)OC(N1CC(C(CN(C(=O)c2cc(c(cc2)OC)OCCCOC)C(C)C)C1)CNC(C)C)=O	110
+CC(C)(C)OC(=O)N1CC(CN(C(C)C)C(=O)c2cc(c(cc2)OC)OCCCOC)C(C=O)C1	24
+CC(C)N(CC1CNCC1CO)C(c2ccc(c(c2)OCCCOC)OC)=O	2
+CC(C)(C)OC(N1CCCC(CNc2c(cnc(n2)NCc3cc(c(F)cc3)F)[N+](=O)[O-])C1)=O	96
+CC(C)(C)OC(N1CCCC(F)(C1)CNc2nc(cc3c2cccn3)-c4cn(nc4)CC)=O	1675
+CC(C)(C)OC(N1CCC(C(COc2c(cc(I)cc2)C#N)C1)c3ccc(cc3)Cl)=O	57
+CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(N1CC(C=O)CC1)=O	24
+CC(C)(C)OC(=O)N1CCC(C1)COc2c(I)nc(c(Br)c2)Cl	1286
+CC(C)(C)OC(N1CC(COS(=O)(=O)C)CC1)=O	7
+CC(C)(C)OC(N1CC(CCC1)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1CC(CCC1)COc2ccccc2OCc3ccccc3	126
+CC(C)(C)OC(N1CC(N(Cc2ccccc2)CC1C)CO)=O	48
+CC(C)(C)OC(N1c2c(c3cccnc3c(OCc4ccccc4)c2)C(COS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(=O)N1CC(COCc2ccc(cc2)OC)N(c3ccc(cc3)OCCCOCc4ccc(cc4)Cl)CC1	555
+c1cc(ccc1N2CCNCC2COCc3ccc(cc3)OC)OCCCOCc4ccc(cc4)Cl	2
+c1cc(ccc1)COCC2CNCC(=O)N2c3ccc(cc3)OCCCOCc4c(cccc4)OC	255
+CC(C)(C)OC(=O)N1CC(c2cc(OC)ccc2C1)CC#N	300
+CC(C)(C)OC(N1CC(COc2nc(-c3cnn(c3)CC)cc4c2cccn4)(CCC1)F)=O	1675
+c1cc(ccc1)CS(=O)CC2CNCC2	2
+c1cc(ccc1CS(CC2CNCC2)=O)F	2
+CC(C)(C)OC(=O)N1CC(CS(=O)Cc2ccccc2)CC1	441
+CC(C)(C)OC(N1CC(Cc2ccccc2)C(C=O)(F)C1)=O	24
+C1CC1C#Cc2cnc(nc2)N3CCN(CC3)c4nc(ncn4)Nc5cn(nc5)CC6CNCCO6	2
+CC(C)(C)OC(=O)N1CCCC(F)(C1)CN	18
+CC(C)(C)OC(=O)N1CC(F)(F)C(CC(=O)OCC)CC1	774
+CC(C)(C)OC(N1CC(F)(F)C(CCO)CC1)=O	44
+CC(C)(C)OC(=O)N1C(CCC(=O)OCC)CC(F)(F)C1	783
+CC(C)(C)OC(N1CC(F)(F)CC1C=O)=O	24
+C1CN(CCO1)C2C(CNCC2)F	2
+CC(C)(C)OC(=O)N1CC(CC(N(C(=O)c2nc3ccccc3n2CCCCOC)CC(C)C)C1)C(=O)O	4
+CC(C)(C)OC(=O)N1CC(COCc2ccccc2)N(C(=O)C1)c3ccc(cc3)OCCCOCc4c(cccc4)OC	149
+CN(C)C1CN(CCC1NC(=O)c2nc(c(Cl)[nH]2)CC)c3sc(C(OCC)=O)c(C)n3	4086
+CC(C)(C)OC(=O)N1CC(C)N(c2nc3c(c(cc(Cl)c3)C(N(C)C)=O)o2)CC1	1859
+CC(C)(C)OC(=O)N1CC(CC1)N(Cc2ccc(cc2)Cl)CC(=O)O	4
+c1cc(ccc1CN(C2CNCC2)CC(=O)OC)Cl	2
+O=S(=O)(c1ccccc1[N+](=O)[O-])N(OCC=C)C2CNC(COC)C=C2C(N(C)C)=O	366
+O=S(=O)(c1c(cccc1)[N+]([O-])=O)N(OCC=C)C2CNC(C(=O)N)C(C)=C2	7227
+CC(C)(C)OC(=O)N1CC(N(CC1)c2oc3c(cc(cc3C(=O)O)Cl)n2)C	6
+CC(C)(C)OC(=O)N1CC(CO)CC(C1)N2c3cccc(Cl)c3-c4noc(c4C2=O)C	647
+CC(C)(C)OC(N1CC(CNC(=O)c2ccccc2)CC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C1)=O	93
+CC(C)(C)OC(=O)N1C(CC(N=[N+]=[N-])C1)CO	95
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N	18
+C1C(N=[N+]=[N-])CNC1Cc2c3c(cccc3)[nH]c2C	2
+C1C(CCCN1)NC(=O)NC2C3C(OC2)C(CO3)Oc4c(nccc4)C	2
+CC(C)(C)OC(=O)N1CC(C(CC1)NC(c2[nH]c(Cl)c(CC)n2)=O)NC(OCc3ccccc3)=O	855
+CC(C)(C)OC(N1C(CC(C1)NC(=O)c2ccc(s2)Cl)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1CC(CC(C(=O)N2CCOCC2)C1)N	102
+CC(C)(C)OC(N1CC(N(CCC1)Cc2ccccc2)=O)=O	806
+Clc1ncc(F)c(NC2CCCNC2)n1	2
+CC(C)(C)OC(=O)N1CC(n2c3c(cnc4c3scc4)nc2C(C)O)CCC1	7228
+CC(C)(C)OC(=O)N1CC(Nc2c(N)cnc3c2scc3)CCC1	13
+CC(C)(C)OC(=O)N1CCCC(N(C)c2ncc(C#N)c3sc(Br)cc23)C1	1347
+CC(C)(C)OC(N1CCC(N(c2c3ccccc3cc(C#N)n2)C)C1)=O	1347
+CC(C)(C)OC(N1CC(OS(=O)(=O)C)CC(C1)C(OC)=O)=O	7
+C[Si](C)(C)CCOCn1c(nc(-c2ccc(cc2)Br)c1)C3N(C(=O)OC(C)(C)C)CC(C3)O	1073
+c1cc(ccc1C2C(OC(NCCCC)=O)CNC2)F	2
+C1(OC)C(CCNC1)N=[N+]=[N-]	2
+c1(ccc(NC(=O)C2NCC(OC)C2)c(F)c1)N3CCCCC3=O	255
+COC1CNC(C1)C(Nc2c(F)cc(cc2)-n3nc(C)cc3)=O	255
+CC(C)(C)OC(=O)N1CC(OCC1)C(NCCc2cc(OC)c(NC(=O)Nc3ncc(C#N)nc3)cc2Cl)=O	446
+CC(C)(C)OC(=O)N1CC(OCC1)C(NCCc2c(cc(c(OC)c2)N)Cl)=O	0
+c1cc(ccc1Cl)NC(=O)NCC2CNCCO2	2
+O1CCN(CC1CO)C	352
+CC(C)(C)OC(N1CC(COS(=O)(=O)C)OCC1)=O	7
+c1cc(ccc1N2CCOCC2)-c3nc(OCC4CNCCO4)c5c(nccn5)c3	2
+CC(C)(C)OC(N1C(C(=O)OC)CC(O)C1)=O	118
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1C(=O)OC	298
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1Cc2c(C)[nH]c3c2cccc3	298
+CC(C)(C)OC(=O)N1C(C(OCC)=O)CC(N=[N+]=[N-])C1	2780
+CC(C)(C)[Si](C)(C)OC1C(CN(C(OC(C)(C)C)=O)C1)C=O	24
+CC(C)(C)OC(=O)N1CC(COS(=O)(=O)C)c2cc(ccc2C1)OC	7
+CC(C)(C)OC(=O)N1CC(c2cc(c(N)cc2)C)OCC1	0
+FC(F)(F)Oc1ccc(cc1F)C2CN(CC(c3nc(OCC)no3)C2)C(OC(C)(C)C)=O	4090
+CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2	88
+c1cc(ccc1-c2n(C3CNCCC3)nc(N)c2C(=O)N)Oc4ccccc4	2
+CC(C)(C)OC(=O)N1CC(CC1)n2nc(-c3ccc(cc3)Nc4oc5c(cc(C)cc5C)n4)c6c(N)ncnc26	918
+CC(C)(C)OC(=O)N1CC2(C1)CCN(CC2)C(COc3ccc(cc3C(C)C)C#N)=O	3193
+C1C2(CN1)CCN(CC2)C(COc3ccc(cc3C(C)C)C#N)=O	2
+CC(C)(C)OC(N1CC2(C1)OCc3c2cnc(C4=NOC(C(F)(F)F)(c5cc(Cl)c(c(Cl)c5)F)C4)c3)=O	7229
+CC(C)(C)OC(=O)N1CC2(C1)OCc3c2cnc(C=NO)c3	688
+c1cc(ccc1Oc2ccccc2)-c3c(ncnc3N)NC4CC5(CNC5)C4	2
+CC(C)(C)OC(N1CC2(C1)CC(C2)OS(=O)(=O)C)=O	7
+C1CCCC12C(CNC2)Nc3c(cnc(n3)Nc4cn(C)nc4)C	2
+C1C2(CN1C(NCc3ccc(cc3Cl)Cl)=O)CNC2	2
+CC(C)(C)OC(=O)N1CC2(CN(C2)C3CCNCC3)C1	25
+C1CC1COc2ccc3C(=O)N(c4cc(c(cc4)N5CC6(CC5)CCNC6)F)C=Cc3c2	2
+CC(C)(C)OC(N1CC2(CN(c3cc(c(Oc4ccc(cc4)Oc5cc(ccc5)F)nc3)C(OC)=O)CC2)CC1)=O	2064
+CC(C)(C)OC(N1CC2CC(CC#N)CC(c3ccccc3)(O)C2C1)=O	677
+CC(C)(C)OC(=O)N1CC2C(CC(CC2=O)COS(=O)(=O)c3ccc(cc3)C)C1	36
+CC(C)(C)OC(N1CC2C(CCC(O)C2)C1)=O	4091
+C1C2C(CN1C(=O)c3ccccc3)CNC2	2
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)c3cncc(C(=O)Nc4ccc(cc4)Cl)c3	246
+CC(C)(C)OC(=O)N1CC2CN(CC2C1)c3ccc4n(c(-c5ccnc(N)c5)c(n4)-c6ccc(cc6)Cl)n3	212
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)C(c3ccccc3)=O	115
+CC(C)(C)OC(N1CC2CC(C)CC2C1C=O)=O	24
+CC(C)(C)OC(N1CC2CC(CC2C1)Nc3c(Cl)cnc(n3)Cl)=O	40
+CC(C)(C)OC(=O)N1CC2CC(CC(C2C1)(c3ccccc3OC)O)COS(=O)(=O)c4ccc(cc4)C	1035
+n1ccnn1-c2c(cccc2F)C(N3CC4CCNCC34)=O	2
+CC(C)(C)OC(=O)N1CC2CC(CC#N)CC(c3ccccc3OC)(O)C2C1	677
+CC(C)(C)OC(N1CC2C(CC(C2)NCc3ccccc3)C1)=O	87
+CC(C)(C)OC(N1CC2CC(CCC2C1)N)=O	316
+O=C1CC2N(CCNC2)c3c(cccc3)N1	2
+o1nc(cc1C=2C3CC(CC=2)CN3)C	366
+CC(C)(C)OC(N1CC2CC1CN2c3cc(C(=O)NCC(NC(C)C)=O)c([N+](=O)[O-])cc3)=O	34
+CC(C)(C)OC(N1C2CN(c3nc(Cl)nc(-c4cnc(N)c(C(F)(F)F)c4)c3)C(C1)C2)=O	54
+CC(C)(C)OC(=O)N1CC2CC1CN2c3nc(cc(-c4cc(ncc4)Cl)n3)C	3956
+CC(C)(C)OC(N1C2CN(c3nc(-c4ccnc(c4)Cl)cc5nccn35)C(C1)C2)=O	7230
+CC(C)(C)OC(=O)N1CC2CC1CN2c3nc(cc(n3)-c4cc(NC(c5ccccc5)C)ncc4)C	70
+c1ccccc1C(Nc2nccc(-c3nc(N4C5CNC(C4)C5)nc(c3)C)c2)C	2
+CC(C)(C)OC(=O)N1CC2CC2(C1)c3ccc(cc3)NCc4ccccc4	250
+CC(C)(C)C(CN1CC2CNCC(C1)O2)=O	2
+CN(C)C(=O)N(CCN1CC2CNCC(C1)O2)CCOc3ccc(cc3)C#N	2
+C1C2CNCC(CN1CCN(S(=O)(=O)C)CCOc3ccc(cc3)C#N)O2	2
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)c3cncc(C(=O)O)c3	6
+C1C2C(CN1c3ccc4n(n3)c(-c5ccnc(N)c5)c(n4)-c6ccc(cc6)Cl)CNC2	2
+c1cc(ccc1S(=O)(=O)N2C3CNCC2Cc4c3cn[nH]4)Cl	2
+CC(C)(C)OC(=O)N1CCN2CC(COS(=O)(=O)C)CCC2C1	7
+CC(C)(C)OC(N1C(c2ccn(n2)Cc3ccc(cc3)F)CN4CCCC4C1)=O	1944
+CC(C)(C)OC(=O)N1CCC2CCCC(C1)N2C(=O)CC	2781
+CC(C)(C)OC(N1CC2c3c(C(C1)C2)cc([N+](=O)[O-])c(N)c3)=O	0
+C1CN(CCN1C(C(c2ccc(cc2)F)C3=CCN(C)CC3)=O)CCCCc4cccc5ccccc45	352
+FC(F)(F)c1c(C=2CCNCC=2)cccc1	366
+CC(C)(C)OC(=O)N1CC=C(CC1)c2c[nH]c3c2cc(nc3C(N)=O)-c4ccccc4	2782
+CC(C)(C)OC(=O)N1CC=C(CC1)c2c3c([nH]c2)c(nc(c3)-c4ccccc4)C#N	4092
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3cc(nc(C(N)=O)c3[nH]c2)-c4ccccc4	671
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(Nc3nccc(c3)C)nc(N(CCO)C)c2	191
+CC(C)(C)OC(=O)N1CCC(CC1)c2c[nH]c3c(cc(Br)cc23)C(N)=O	671
+C1=C(CCNC1)c2cc3c(c(nnc3cc2OC)C(=O)N)Nc4c(F)cc(C)cc4	366
+CC(C)(C)OC(N1CC=C(CC1)c2cc3c(ncnc3[nH]2)-c4cc(F)ccc4OC)=O	1017
+c1(sc(-c2c(OC)cc(-n3cccn3)cc2)nn1)C4=CCNCC4	366
+CC(C)(C)OC(N1CC(C(=O)O)=C(c2ccc(cc2)OCc3onc(-c4c(F)ccc(F)c4Cl)c3)CC1)=O	127
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3cc(ccc3n(c2)S(=O)(=O)C)[N+](=O)[O-]	4093
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3C(C)CCc3ncn2	1676
+CC(C)(C)OC(=O)N1CCC(CC1)c2c[nH]c3ccc(C#N)cc23	671
+CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(c3ccccc23)-c4ccc(cc4)[N+]([O-])=O	1995
+c1nc(ncc1CCC)N2CCC(CC2)C3Cc4c(O3)c(cc(c4)C5=CCNCC5)F	366
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(c(C(N)=O)cc2)-c3ccc(cc3)C(OC)=O	1676
+C1CC(=Cc2c(ccc(-c3cc(c(cc3)OCC)F)c2)N1)C(=O)OC	396
+CC(C)(C)OC(N1Cc2c([nH]nc2CC1)C(=O)OCC)=O	2783
+CC(C)(C)OC(=O)N1CCC(=O)CC1C(=O)OC	325
+CC(C)(C)OC(N1CCC(=C)CC1C(=O)OC)=O	7231
+CC(C)(C)OC(=O)N1CCC(N(CCCCN(C2Cc3c(CC2)ccc(OC)c3)CCC)CC1)=O	61
+CC(C)(C)OC(=O)N1CCC(N(CC1)CCCC(OC)OC)=O	638
+CC(C)(C)OC(=O)N1CC(CC1)(N2CCC(CC2)O)C	2784
+CC(C)(C)OC(N1CC(C(=O)N(CC(C)C)Cc2cc3c(OCCCO3)c(Cl)c2)CC1)=O	10
+CC(C)(C)OC(N1CC(C(N(OC)C)=O)CC1)=O	164
+CC(C)(C)OC(=O)N1CC(C(NCC=2C(c3ccc(cc3N(C=2)c4ccccc4)Cl)=O)=O)CC1	1475
+CC(C)(C)OC(=O)N1CC(C(CC1)N)C(=O)N2CCCC(C2)Cc3ccc(cc3)F	102
+CC(C)(C)OC(=O)N1CCC(Nc2c(C(=O)N)cnn3cc(Br)cc23)C(C)(C)C1	719
+CC(C)(C)OC(=O)N1CCC(C(C)(C)C1)NC(=O)CC2N(S(=O)(=O)c3ccc(cc3)C)C=CNC2=O	9
+c1cc(ccc1C)S(=O)(=O)N2C=CNC(=O)C2CC(=O)NC3C(C)(C)CNCC3	2
+CC(C)(C)OC(=O)N1CCC(C(C)(C)C1)N	273
+CC(C)(C)OC(=O)N1CC(CO)C(CC1)c2ccc(cc2)Cl	88
+CC(C)(C)OC(=O)N1CCC(N2CCC(CC2)N3c4ccccc4NC3=O)(C)C1	1989
+CC(C)(C)OC(=O)N1CC(CC1)(C)N2CCC(CC2)N	316
+CC(C)(C)OC(=O)N1CCC(C)(C1)N2CCC(CC2)Nc3c(cccc3)N	231
+CC(C)(C)OC(N1CCC(C1)C2OC2)=O	7232
+CC(C)(C)OC(=O)N1CCC(C1)COc2cc(Br)c(Cl)nc2C#N	4094
+CC(C)(C)OC(=O)N1CC(CC1)N(CCCN(C)C)c2ccc(c(Cl)c2)F	53
+CC(C)(C)OC(=O)N1CCC(N(C(c2ccc(cc2)-n3c4ccccc4nc3C)=O)C)C1	497
+Clc1ccc(c(Cl)c1)CNC2CNCC2	2
+c1c(NC2CNCC2)ccc(C#N)c1Cl	2
+c1cc(ccc1OC2CCNC2)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5	2
+CC(C)(C)OC(N1CCC(CC1)(C=O)COCc2ccccc2)=O	4095
+CC(C)(C)OC(=O)N1CCC(CC1)(COC)C(=O)Nc2cccc(OC(N(C)C)=O)c2	33
+CC(C)(C)OC(N1CCC(CC1)(Cc2ccccc2C)N)=O	7233
+CC(C)(C)OC(=O)N1CCC(CC1)(COCc2ccccc2)CO	95
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)CO	95
+CC(C)(C)OC(N1CCC(CC1)(N)CO)=O	44
+C1CC(CCC1)COC(C2(CCNCC2)Cc3ccc(cc3)C#N)=O	2
+CC(C)(C)OC(N1CCC(CC1)(c2oc3cnc(cc3c2)Cl)C)=O	4096
+C1CNCCC1(C)CCC=C	2
+CC(C)(C)OC(=O)N1CCC(CC1)(C)COS(=O)(=O)C	7
+CC(C)(C)OC(N1CCC(CC1)(C)CC#N)=O	300
+CC(C)(C)OC(N1CCC(CC1)(C)N2CCC(CC2)NC3C(CC#N)CCCC3)=O	87
+CC(C)(C)OC(=O)N1CCC(CC1)(C)N2CCC(CC2)=O	86
+CC(C)(C)OC(=O)N1CCC(CC1)(C2CCCCC2)C=O	24
+CC(C)(C)OC(=O)N1CCC(CC1)(COS(=O)(=O)C)C2CCCCC2	7
+CC(C)(C)OC(N1CCC(CC1)(CNC2CC2c3ccccc3)COCC4CCC4)=O	110
+CC(C)(C)OC(=O)N1CCC(CC1)(CCC=O)C(=O)OCC	465
+CC(C)(C)OC(N1CCC(CC1)(CCCNc2ccc(nc2C)N3CC(CC3)N4CCCC4C)C(=O)OCC)=O	839
+CC(C)(C)OC(N1CCC(CC1)(CCO)C#N)=O	35
+C1CC(CCN1)(C(=O)OCC)CCOc2ccccc2	2
+C1CNCCC1(C2CCCCC2)CN=[N+]=[N-]	2
+FC(F)(F)CNCC1(CCNCC1)CO	2
+CC(C)(C)OC(N1CCC(CC1)(COS(=O)(=O)C)CCC=C)=O	7
+CC(C)(C)OC(N1CCC(CC1)(NC(=O)OCc2ccccc2)CF)=O	559
+C1CNCCC1(C(Nc2cccc(OC(N(C)C)=O)c2)=O)COC	2
+CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)COC	3
+CC(C)(C)OC(=O)N1CCC(CC1)(C=O)COCC2CCC2	24
+CC(C)(C)OC(=O)N1CCC(CC1)(COCC2CCC2)CO	118
+CC(C)(C)OC(=O)N1CCC(CC1)(CN=[N+]=[N-])C2CCCCC2	133
+CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)Cc2c(cccc2)C	210
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)CNC3CC3c4ccccc4	110
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)C=O	24
+C1CNCCC1(O)Cn2c3c4c(cccc4)ncc3nc2COCC	2
+C1CNCCC1(Cn2ncc(-c3cnc(c(OC(C)c4c(ccc(F)c4Cl)Cl)c3)N)c2)O	2
+CC(C)(C)OC(N1CCC(CC1)(CN)F)=O	45
+CC(C)(C)OC(N1CCC(CC1)(F)CNC(N)=S)=O	7234
+CC(C)(C)OC(=O)N1CCC(CC1)(C)N2CCC(CC2)O	2784
+CC(C)(C)OC(=O)N1CCC(CC1)(C(OCC)=O)N	1388
+CC(C)(C)OC(=O)N1CCC(CC1)(NC(OCc2ccccc2)=O)C(N)=O	83
+CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)N)N	334
+CC(C)(C)OC(=O)N1CCC(CC1)(N(Cc2c(cc3ncnc(c3c2)Nc4c(c(ccc4)Cl)F)OC)C)C(N)=O	7235
+CC(C)(C)OC(N1CC=C(CC1)c2c(C)cccc2F)=O	252
+CC(C)(C)OC(=O)N1CCC(c2ccc(cc2)Oc3ccccc3)=CC1	252
+CC(C)(C)OC(=O)N1CCC(c2cccc(c2F)F)=CC1	252
+CC(C)(C)OC(=O)N1CCC(CC1)(OC)c2n(C)ccn2	76
+C1CC(CCN1)(OC)C	2
+C1CNCCC1(OC)c2n(C)ccn2	2
+CC(C)(C)OC(N1CCC(CC1)(COc2cc(ccc2)OC)c3ccc(cc3)Br)=O	8
+CC(C)(C)OC(N1CCC(CC1)(CO)c2ccc(cc2)F)=O	21
+CC(C)(C)OC(N1CCC(CC1)(CO)c2ccccc2)=O	21
+CC(C)(C)OC(N1CCC(CC1)(c2scc(n2)-c3c(c4c(cc3)N(C(C)CC4)C(OC)=O)OC5CCC5)O)=O	7236
+CC(C)(C)OC(N1CCC2(CC1)ON=C(C(=O)OCC)C2)=O	7237
+CC(C)(C)OC(N1CCC2(CC1)ON=C(C2)Cc3ccccc3)=O	7238
+CC(C)(C)OC(N1CCC(CC1)=C(c2ccc(cc2)C(N(CC)CC)=O)c3c(O)cccc3)=O	7239
+Fc1cc(cc(F)c1)C#CC=C2CCNCC2	2
+CC(C)(C)OC(=O)N1CCC2(CC1)C(C(OCC)=O)C2	7240
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(Oc3ccc(C4CC4)cn3)ccc2	940
+C1CCN(C1)c2cnc(Oc3cc(C=C4CCNCC4)ccc3)cc2	2
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(Oc3ccc(cn3)OC(C)C)ccc2	7241
+CC(C)Oc1ccc(Oc2cc(C=C3CCNCC3)ccc2)nc1	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc3cnc(cc3c2)Cl	4096
+CC(C)(C)OC(N1CCC(CC1)C#Cc2c(nc(C)nc2Cl)N)=O	2516
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(COCc3ccccc3)on2	4097
+C1CC(CCN1)C(N2Cc3c(CC2)cc(OC)c(OC)c3)=O	2
+CC(C)(C)OC(N1CCC(CC1)C(CN2CCN(CC2)c3ccc(cc3)S(=O)(=O)C)=O)=O	3933
+CC(C)(C)OC(N1CCC(CC1)c2nc(CCl)cs2)=O	7242
+CC(C)(C)OC(=O)N1CCC(CC1)c2sc(-c3nc(ncc3)Cl)c(n2)-c4cccc(c4F)NC(OCC=C)=O	873
+CC(C)(C)OC(=O)N1CCC(CC1)c2sc(c(n2)-c3cccc(NC(=O)c4c(cccc4F)F)c3)-c5nc(ncc5)Cl	873
+FC(F)(F)c1ccccc1CNC(C2CCNCC2)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(O)c3c(cccc3-c4ccccc4)n2	1677
+CC(C)(C)OC(=O)N1CCC(CC1)c2[nH]c3ccc(cc3n2)-c4cn(c5cc(F)ccc45)S(=O)(=O)c6ccccc6	791
+CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(c2cc(c(Cl)cc2)Cl)CC	988
+C1CNCCC1C(=O)Nc2ccc(cc2)C(C)C	2
+CC(C)(C)OC(N1CCC(CC1)C(OC)c2ccccc2)=O	76
+CC(C)(C)OC(N1CCC(CC1)C(c2ccc(cc2)Br)Oc3cccc(Cl)n3)=O	91
+C1CC(CCN1)C2(C)Oc3ccc(cc3C2)Br	2
+CC(C)(C)OC(=O)N1CCC(CC1)C2C(C2)COCc3ccc(SC)cn3	7243
+C1CNCCC1C2COC2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(c(nc(n2)SCc3cc(C)ccc3C)O)C#N	3896
+CC(C)(C)OC(=O)N1CCC(CC1)C=2n3nc4c(c(ccc4)-c5c(OCC)cccc5)c3NC(C=2)=O	7244
+CC(C)(C)OC(=O)N1CCC(CC1)C=2NC(=S)NC(C=2C#N)=O	3700
+CC(C)(C)OC(N1CCC(CC1)CNC2C(C2)c3ccc(cc3)Br)=O	110
+FC(F)(F)c1cn(CC2CCN(CC2)C(=O)OC(C)(C)C)c3c1c(ncn3)Cl	4098
+CC(C)(C)OC(N1CCC(CC1)COc2cccc(Oc3c(N)cc4c(c3)N(C(=O)N4C)C)c2)=O	8
+CC(C)(C)OC(=O)N1CCC(CC1)COc2c3c(c(nc2)Cl)nc(-c4c(N)non4)n3CC	2448
+C1CNCCC1CC#Cc2c3c(c(nc(CCCC)n3)N)n(COCc4ccccc4)c2	2
+O=S(=O)(c1ccc(cc1)NC(CC2CCNCC2)=O)C	2
+C1CC(CCN1)CC(C)(C)C(OC)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)CC(C)(C)C(OC)=O	1389
+CC(C)(C)OC(N1CCC(CC1)CC(=O)N(C2CCNCC2)CC)=O	62
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)N2CC(C(=O)NCCC(O)=O)CCC2	4
+CC(C)(C)OC(=O)N1CCC(CC1)CC(C)C(=O)OC	2544
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C2)C(NC(CC(O)=O)c3ccc(cc3)OCCF)=O)=O	4
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C(=O)NC(CC(OC)=O)c3ccc(cc3)OCCF)C2)=O	116
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C2)C(=O)ON3C(CCC3=O)=O)=O	884
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C(NC(c3ccc(cc3)O)CC(OC)=O)=O)C2)=O	9
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C(NC(c3cc(F)cc(Br)c3)CC(=O)OC)=O)C2)=O	1280
+C1CC(CCN1)CCCC(N)=O	2
+C1CC(CCN1)CCCC(OCC)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)CCCC(=O)N	2125
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCNC(c2cc3cnccc3[nH]2)=O	81
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCN	45
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCN2C(c3c(cccc3)C2=O)=O	332
+C1CC(CCN1)CCCN2C(=O)c3c(N=C2C)c(OC)ccc3	2
+CC(C)(C)OC(=O)N1CCC(CC1)CCCOc2cccc(c2)CC(O)=O	4
+C1CNCCC1CCNC(=O)C=C	2
+C1CNCCC1CCOc2c(cc3c(c2)nccc3Oc4ccc(c(Cl)c4)NC(NC5CC5)=O)C#N	2
+C1CNCCC1CCOc2cc(F)cc(Nc3ccc(I)cc3F)c2[N+](=O)[O-]	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)C2=Cc3c(C)cccc3N(C(C)C)C2=O	3900
+CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)Nc2c([N+](=O)[O-])ccc(c2)-c3cccs3	675
+CC(C)(C)OC(N1CCC(CC1)CNc2c(cnc(Br)c2)[N+]([O-])=O)=O	105
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(ccc2)Cl	250
+FC(F)(F)Cc1sc2ncnc(NCC3CCN(CC3)C(=O)OC(C)(C)C)c2c1	1108
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ncc3c([nH]nc3-c4ccnc(SC)n4)n2	96
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(nc3n2ncc3Br)-c4c(Cl)cccc4	1005
+CC(C)(C)OC(=O)N1CCC(CC1)CNC(c2cc(C)n(Cc3cc(Cl)cc4cc(oc34)-c5ccc(cc5)Cl)n2)=O	81
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ccc(cc2)Cl	250
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ncnc(Cl)c2	40
+CC(C)(C)OC(N1CCC(CC1)CNc2ncc(cn2)Br)=O	96
+c1cc(ccc1N(C(CC)=O)CC2CCNCC2)Cl	2
+CC(C)(C)OC(=O)N1CCC(CC1)CN(C(OC(C)(C)C)=O)C2CC2c3ccc(cc3)C4CC4	365
+C1CNCCC1CN(CCC)C2CCc3ccc(cc3C2)[N+](=O)[O-]	2
+C1CNCCC1CN(c2cccc(Cl)c2)C(CC)=O	2
+CC(C)N1C(C(=Cc2c(C)cccc12)C(=O)NCC3CCNCC3)=O	2
+C1CC(CCN1)CNC(=O)Nc2c([N+](=O)[O-])ccc(c2)-c3cccs3	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2nc(ncc2C(N)=O)On3c4c(nn3)cccc4	1906
+CC(C)(C)OC(=O)N1CCC(CC1)CN(c2cccc(Cl)c2)C(CC)=O	192
+C1CNCCC1CNc2cc(nc3n2ncc3Br)-c4c(Cl)cccc4	2
+C1CC(CCN1)CNc2cc(ncc2Cl)Nc3ncc(C#N)nc3	2
+C1CC(CCN1)CNc2cc(ncc2N)Nc3ncc(C#N)nc3	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(ncc2N)Nc3ncc(C#N)nc3	13
+CC(C)(C)OC(=O)N1CCC(CC1)CN(C(CC)=O)c2ccc(cc2)Cl	192
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2c(cnc(Cl)n2)C(O)=O	6
+C1CC(CCN1)CNc2nc3c(C(=O)OC)cccc3[nH]2	2
+C1CC(CCN1)CNc2ncc3c(n2)[nH]nc3-c4ccnc(n4)NCc5cccc(Cl)c5	2
+n1cc(cnc1NCC2CCNCC2)-c3ccc(cc3)S(=O)(=O)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2nc3c(c(n[nH]3)-c4ccnc(n4)NCc5cccc(Cl)c5)cn2	306
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ncc3c(-c4ccnc(S(C)=O)n4)n[nH]c3n2	172
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(Nc3cnc(cn3)C#CCO[Si](C)(C)C(C)(C)C)ncn2	4099
+CC(C)(C)OC(N1CCC(CC1)COC(C(c2cccc(c2)O)(c3ccccc3)O)=O)=O	16
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(Br)cc4F	267
+CC(C)(C)OC(=O)N1CCC(CC1)Cn2ccc3cc(ccc23)Br	1854
+CC(C)(C)OC(=O)N1CCC(CC1)COC(=O)C(c2ccccc2)(O)c3cccc(OCc4ccccc4)c3	7245
+CC(C)(C)OC(N1CCC(CC1)COc2c(cnc(Nc3ncc(C#N)nc3)c2)[N+]([O-])=O)=O	2785
+C1CC(CCN1)COc2c3c(OC4CCOC4)cccc3on2	2
+C1CC(CCN1)COc2cc(ccc2)C(OC)=O	2
+C1CC(CCN1)COc2cc3c(c(Oc4ccc(c(F)c4)NC(NC5CC5)=O)ccn3)cc2C#N	2
+C1CC(CCN1)COc2cc3c(c(ncn3)Oc4cc5c(c[nH]c5cc4)C)cc2OC	2
+C1CN(CCC1COc2cc3c(cc2OC)c(ncn3)Nc4ccc(Br)cc4F)C	352
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cc3c(c(ncn3)Oc4cc5c(c[nH]c5cc4)C)cc2OC	185
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cc3ncnc(c3cc2OC)Nc4c5c(ncc4Cl)OCO5	73
+C1CC(CCN1)COc2cc3ncnc(c3cc2OC)Nc4c5c(ncc4Cl)OCO5	2
+C1CC(CCN1C)COc2ccc(cc2OC)C(=O)OCC	352
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cnc(-n3ccc4c3ccc(NC(=O)C(C)C)c4)cc2	4100
+C1CC(CCN1)COc2ccc3c(ncnc3Nc4[nH]nc(c4)CC(Nc5c(c(F)ccc5)F)=O)c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)Cc2cn(S(=O)(=O)c3ccccc3)c4ccc(F)cc24	367
+CC(C)(C)OC(N1CCC(CC1)CC2CCNCC2)=O	2126
+C1CC(CCN1)Cc2oc3c(ccc(c3)-c4c5c(cc(F)cc5)n(S(=O)(=O)c6ccccc6)c4)n2	2
+C1CC(CCN1)Cn2ccc3c2ccc(Br)c3	2
+C1CC(CCN1)N(Cc2c3c(nc(n3CC)-c4c(N)non4)cnc2)C(=O)C	2
+CC(C)(C)OC(N1CCC(CC1)N(C2(CC2)C3CCN(C3)Cc4ccccc4)Cc5ccccc5)=O	4101
+CCN(CC)C(=O)N(C1CCNCC1)C2CCCCC2	2
+c1cc(ccc1S(=O)(=O)C)-c2ccc(CN(C3CCNCC3)C)cn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)N(c2cc(Cl)cc(C(=O)O)c2C)CC	1
+C1CNCCC1N(Cc2c(Cl)nc(Cl)s2)CC(C)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)N(C(=O)C2CN(Cc3ccccc3)CC2)Cc4ccccc4	7246
+CC(C)(C)OC(=O)N1CCC(CC1)N(c2cc(Cl)cc(C(NCc3c(nc(C)cc3C)O)=O)c2C)CC	14
+C1CC(CCN1)N(CC)c2c(C)c(C(NCc3c(nc(C)cc3C)O)=O)cc(Cl)c2	2
+CC(C)(C)OC(N1CCC(CC1)N2C(N(Cc3onc(CC)n3)c4c(sc(Br)c4)C2=O)=O)=O	7247
+C1CCC2(C1)C(=O)N(C3CCNCC3)N=C2c4cc(c(OC)cc4)OC	2
+c1cc(ccc1)COc2ccc3c(C(=O)N(C(=O)N3C4CCNCC4)Cc5ccc(OC)c(c5)OC)c2	2
+C1CNCCC1N2C(NC(=O)c3cc(ccc23)OCC(F)F)=O	2
+C1CN(CCC1N2C3CCCCC3OCC2=O)C4CCNCC4	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2CCNC(C2)C(=O)N3CCOCC3	679
+CC(C)(C)OC(=O)N1CCC(CC1)N2c3c(cc(cc3)-c4nnn[nH]4)Oc5c2cccc5	424
+C1CC(CCN1)N2c3c(NC2=O)cc(c(C)c3)F	2
+C1CC(CCN1)N2c3ccc(-c4nnn[nH]4)cc3Oc5c2cccc5	2
+CC(C)(C)OC(N1CCC(CC1)N2c3c(cccc3)N(CCN(C)C)C2=O)=O	4102
+CC(C)(C)OC(=O)N1CCC(CC1)N(c2ncccc2)C	323
+CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c2c(-c3[nH]c4c(n3)ccc(C(O)=O)c4)n[nH]c2C	6
+C1CNCCC1NC(c2cc(ccc2)OC(C)(C)C(OCC)=O)=O	2
+C1CC(CCN1)NC(=O)c2cc3ccccc3n2Cc4cc(on4)-c5ccc(Cl)s5	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(=O)Nc3cc(Br)sc3C2=O	7248
+FC1(F)C(N(c2c(nc(nc2)Nc3ccc(cc3)C(NC4CCNCC4)=O)N(C1)C5CCC5)C)=O	2
+FC(F)(F)c1c(cccc1Cl)CN(CC(C)C)C2CCN(CC2)C(=O)OC(C)(C)C	131
+CC(C)(C)OC(=O)N1CCC(CC1)N(Cc2ccc(cc2Cl)S(=O)(=O)C)CC(C)C	48
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+CC(C)(C)OC(=O)N1CCC(CC1)N(S(=O)(=O)C)Cc2cc(ccc2F)-c3ccnc(n3)Cl	112
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+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc3c(ncnc23)Cl	7249
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+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ncc(-c3cc4ccccc4cc3)cc2[N+](=O)[O-]	89
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+CC(C)(C)OC(=O)N1CCC(CC1)Nc2cc(-c3cc4ccccc4n3Cc5ccccc5)nn6c(nnc26)C	190
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+CC(C)(C)OC(N1CCC(CC1)N(c2ccc(cc2)SC)Cc3ccnc(-c4cc(OC)c(c(OC)c4)OC)c3)=O	2786
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+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c3ccccc3nc(NCCCN(C)C)n2	798
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+CC(C)(C)OC(N1CCC(CC1)Nc2cc(-c3nc(F)ccc3)c(cn2)Cl)=O	7250
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+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc3c(OC(C(=O)N3)C)cc2	419
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+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(c(c2)[N+](=O)[O-])OCC(OC)=O	419
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+CC(C)(C)OC(=O)N1CCC(CC1)Oc2sc3cc(ccc3n2)Br	3903
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+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cccc3ccc(-c4n5ccc(cc5nc4)OCCOC)nc23	3785
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+CC(C)(C)OC(=O)N1CCC(CC1)OCC2CCN(Cc3ccccc3)C2	967
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc3CC4(CCN(CC4)Cc5ccccc5)Cc3c2)=O	20
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+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ncnc(Cl)c2	145
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+CC(C)(C)OC(=O)N1CCC(CC1)c2c(cccc2)COc3c(F)cc(cc3F)F	885
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccccc2N(S(=O)(=O)C)C	418
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+CC(C)(C)OC(=O)N1CCC(CC1)c2c(ccc(NC(OCc3ccccc3)=O)c2)C	90
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+C1CC(CCN1)c2ccc(cc2)C(C)C(NC3CC3)=O	2
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+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)NC(Nc3ccccc3Oc4n(-c5ccccc5Cl)nc(c4)C)=O	124
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+CC(C)(C)OC(=O)N1CCC(CC1)c2c(OC)cc(NC(OCc3ccccc3)=O)cc2	90
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+CC(C)(C)OC(=O)N1CCC(CC1)c2c(NS(=O)(=O)C)cccc2	80
+CC(C)(C)OC(=O)N1CCC(CC1)c2cn(c3ncc(NC(=O)c4cccc(C#N)c4)c(c23)C)C	660
+C1CC(CCN1)c2c3c(C)c(cnc3n(C)c2)NC(=O)c4cccc(C#N)c4	2
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+CC(C)(C)OC(=O)N1CCC(CC1)c2cnc(cc2)COc3ccc(cc3)S(=O)(=O)C	885
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+c1ccccc1NC(=O)c2ccc(cc2)-c3nc(ccc3C(N)=O)C4CCNCC4	2
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+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(cn2CCN3CCC3)-c4cc(c(cc4)F)C	1234
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+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(Nc3ncc(cc3Sc4ccccc4Cl)Oc5ccc(cc5)C=O)sn2	146
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+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(-c3ccc(cc3)C(Nc4ccccc4)=O)c(C(N)=O)cc2	67
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+C1CC(CCN1c2ncc(cn2)CC)c3nc(no3)COc4ccc(cc4)S(=O)(=O)C	4106
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+C1CN(CCC1c2nc3ccc(c4OCC(c5ncccc5)n2c34)-c6c(noc6C)C)C(=O)C	4107
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cn2)Nc3nc(CCc4ccccc4CC(OC)=O)c(cn3)C	801
+C1CNCCC1c2oc(-c3cc(-c4cc(OC)ccc4)cnc3N)nn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc(COCc3c(N)ccc(Cl)c3)nn2	7260
+c1cc(ccc1)Cc2[nH]c(C3CCNCC3)nn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nnc(-c3cc(-c4cc(OC)ccc4)cnc3N)o2	89
+C1CC(CCN1)c2oc(C)nn2	2
+CC(C)(C)OC(N1CCC(CC1)c2oc3c(cc(cc3n2)-c4ccc(cc4F)S(=O)(=O)C)F)=O	492
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc3c(cnc(-c4ccc(cc4F)S(=O)(=O)C)c3)o2	140
+C1CNCCC1c2onc(Cc3cccnc3)n2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(-c3c(c(NS(=O)(=O)c4cocc4)ccc3)F)c(-c5ccnc(N)n5)s2	911
+CC(C)(C)OC(=O)N1CCC(CC1)c2sc(c(n2)-c3cccc(c3F)N)-c4nc(ncc4)Cl	2087
+CC(C)(C)OC(=O)N1CCC(CC1)c2sc(-c3nc(ncc3)Cl)c(n2)-c4c(c(NS(=O)(=O)c5cocc5)ccc4)F	4108
+C1CC(CCN1)n2c(c(cn2)-c3cnc(N)c(-c4oc5c(n4)cccc5)c3)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c(C)c(cn2)-c3cnc(N)c(-c4oc5c(n4)cccc5)c3	4109
+C1CC(CCN1)n2nnc3c(N4CCOCC4)nc(nc23)-c5cc(ccc5)O	2
+C1CNCCC1n2nnc3c(N4CCOCC4)nc(-n5c6cccc(c6nc5C(F)F)OC)nc23	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3nc(-c4ccc(cc4)NC(=O)NCCN(C)C)nc(c3nn2)N5CCOCC5	675
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(cn2)c(nc(-c4ccc(cc4)N)n3)N5CC6CCC(C5)O6	0
+c1ccccc1Oc2c3cnn(c3ncn2)C4CCN(CC4)C(OC(C)C)=O	4104
+C1CC(CCN1)n2c3c(cccc3)nc2-c4nonc4N	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3ccc(cc3cn2)OCC(OCC)=O	52
+c1cc(ccc1-c2nc(c3nnn(c3n2)C4CCNCC4)N5CCOCC5)NC(=O)NCCN(C)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(cn2)c(N4CC5CCC(C4)O5)nc(-c6ccc(cc6)[N+](=O)[O-])n3	345
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(c(N4CCOCC4)nc(-c5cc(ccc5)O)n3)nn2	345
+C1CC(CCN1)n2ncc3c(Oc4cccnc4C)ncnc23	2
+C1CC(CCN1)n2cc(-c3cc(-c4nc5c(c(C(NC)=O)ccc5)o4)c(nc3)N)cn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3cc(-c4nc5c(c(C(NC)=O)ccc5)o4)c(nc3)N)cn2	1036
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3cc(-c4nc5c(c(ccc5)C(O)=O)o4)c(nc3)N)cn2	1
+C1CNCCC1n2cc(-c3ccc4c(CCC(C)N4C(C5CC5)=O)c3OC6CCC6)cn2	2
+c1cc(ccn1)-c2c(-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F)nn(C5CCNCC5)c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc(-c3cnc4[nH]cc(c4c3)I)c2	1361
+FC(F)(F)c1cnc(Nc2cnn(C3CCN(CC3)C(=O)OC(C)(C)C)c2)nc1Cl	486
+CC(C)(C)OC(N1CCC(CC1)n2ncc(Nc3nc(CCc4ccccc4C(C(=O)N)C)c(Cl)cn3)c2)=O	486
+C1CC(CCN1)n2ccc(-c3ccccc3)n2	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc(c2)-c3cnc4c(c3)c(cn4S(=O)(=O)c5ccc(cc5)C)I	276
+C1CNCCC1n2ncc(c2)-c3nc(OC(C4CNC(=O)C4)C)c5c(nn(c5)C)c3	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3ncnc(Oc4cccnc4C)c3cn2	7261
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(cn2)c(Oc4ccccc4)ncn3	7262
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(=O)OC	282
+CC(C)(C)OC(N1CCC(CC1C(OC2CCCC2)=O)N)=O	273
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(Nc3c(cccc3)N)=O	33
+CC(C)(C)OC(=O)N1C(CC(Oc2c3c(c(-c4ccccc4)oc3ncn2)-c5ccc(cc5)OC)CC1)CCC(OC)=O	2741
+CC(C)(C)OC(=O)N1CCC(OC)CC1c2ccccc2OC	76
+CC(C)(C)OC(N1CCCC2(CO2)CC1)=O	2727
+C1NCCCC(NCCCCO)C1	2
+C(OC(=O)Nc1ccccc1Br)C2CNCC2	2
+CC(C)(C)OC(=O)N1CCC(=O)N(CC1)CCCC=O	571
+C(CCCN1CCNCCC1=O)N(CCC)C2CCc3ccc(OC)cc3C2	2
+c1cc(ccc1CN(C2CNCC2)CC(=O)NCC)Cl	2
+C1CC(CCN1C2(CN(C(OCCF)=O)CC2)C)N3c4ccccc4NC3=O	7263
+CC(C)(C)OC(N1CCC(C(C1)F)N)=O	18
+CC(C)(C)OC(=O)N1CCC(CC1C(O)=O)NC(=O)Nc2ccc(cc2)C#N	4
+CC(C)(C)OC(N1CCC(N(C)C(=O)c2ccc(cc2)Br)C(c3ccc(c(Cl)c3)Cl)C1)=O	497
+c1ccccc1C(=O)NC2C(OC)CNCC2	2
+O=S(=O)(NC1CCN(C#N)C1)c2cc([N+](=O)[O-])ccc2Br	7264
+CC(C)(C)OC(N1CCC(C(N)C1)O)=O	18
+CC(C)(C)OC(N1CC(CN=[N+]=[N-])C(O)CC1)=O	254
+C1CNC(CC1OC)c2ccccc2OC	2
+CC(C)(C)OC(N1CCC(O)C(C1)COc2nnc(CCCC)c(c2)-c3ccc(cc3)OC4CCCCC4)=O	1262
+CC(C)(C)OC(=O)N1CCC(Oc2c3c(cccc3cc(C=4NNC(=O)N=4)n2)Cl)C1	7265
+CC(C)(C)OC(=O)N1CCC(Oc2c3c(Cl)cccc3cc(C(=N)NN)n2)C1	7266
+c1cc(ccc1OC2CCNC2)F	2
+CC(C)(C)OC(=O)N1CC=C(CC1)c2cc(nc(Nc3cc(ccn3)C)c2)N(CCO)C	346
+c1cc(ccc1Oc2ccccc2)C3=CCNCC3	366
+C1=C(c2cccc(c2F)F)CCNC1	366
+CC(C)(C)OC(=O)N1CCC1CNC(c2cc(F)c(nc2NCCc3cccc(F)c3)-c4cnn(c4)C)=O	56
+c1(C(=O)NCC2NCC2)cc(F)c(nc1NCCc3cccc(F)c3)-c4cnn(C)c4	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)C(N)=S	199
+CC(C)(C)OC(=O)N1CCC2(CC(C2)C(N)=O)CC1	83
+C1CNCCC12CCN(C)C2=O	2
+c1cnn(n1)-c2c(cccc2)CN3C(=O)C4(CCNCC4)CCC3	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CC2C(O)=O	3
+c1cc(ccc1C)S(=O)(=O)n2cc(CN3C(C4(CCNCC4)CCC3)=O)c5ccccc25	2
+CC(C)(C)OC(N1CCC2(CCC(CC2)=O)CC1)=O	1678
+CC(C)(C)OC(=O)N1CCC2(CC1)CN(c3cc(F)c(N)cc3)C(C2)=O	0
+CC(C)(C)OC(=O)N1CCC2(CC(C2)C(O)=O)CC1	270
+CC(C)(C)OC(=O)N1CCC2(CC1)CC2C(N)=O	2789
+CC(C)(C)OC(N1CCC2(CC1)c3c(C(C(N(C)C)=O)=CC2)cccc3)=O	4110
+CC(C)(C)OC(=O)N1CCC2(CC1)c3c(cccc3)C(=NC(C)c4ccccc4)CC2	1529
+C1CC2(CCN1)N(C(CCC2)=O)Cc3cccc4n(S(=O)(=O)c5ccc(cc5)C)ccc34	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CCC(=O)c3c2cccc3	7267
+c1cc(ccc1C(=O)N2CC3(CCNCC3)CC2)-c4nc5cc(C#N)cc(c5o4)C(C)C	2
+C1CC2(CCN1)CCN(C2)c3ccc(S(=O)(=O)C)c(C)n3	2
+C1C2(CN1c3nc4ncccc4c(Nc5cc(n[nH]5)C)n3)CCNCC2	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CC(N(C2)c3ccc(-n4nnnc4)c(c3)F)=O	797
+CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)N(C2)c3ccc([N+](=O)[O-])c(c3)F	654
+C1CNCCC12CNC2=O	2
+c1ccccc1CC2C(N(Cc3ccccc3)C4(CCNCC4)N2)=O	2
+CC1(C)OB(OC1(C)C)c2cnn(CC3(CCN(CC3)C(OC(C)(C)C)=O)O)c2	2790
+CC(C)(C)OC(N1CCC(CC1)(O)CNCC)=O	122
+C1CC2(CCN1)c3c(cccc3)CS2=O	2
+C1CNCCC12OC(=O)Nc3ccccc23	2
+CC(C)(C)OC(=O)N1CCC2(CC1)S(Cc3c2cccc3)=O	441
+CC(C)(C)OC(=O)N1CCC2(CC2)CC1C(O)=O	4
+CC(C)(C)OC(=O)N1CCC2(CC1)CN(C2)c3nc4ncccc4c(Nc5cc(n[nH]5)C)n3	117
+CC(C)(C)OC(N1CCC2(CCCN2)C1)=O	25
+N1(C2CCCC1CNCC2)C(=O)CC	2
+CC(C)(C)OC(=O)N1CC2NC(CC1)CCC2	25
+CC(C)(C)OC(N1CCC=2C(C1)(COCC)Cc3cnn(c3C=2)-c4ccc(cc4)F)=O	481
+C1C(CC1)CN2C(C(c3cc(ccc3)Cl)=CC=4CNCCC2=4)=O	366
+CC(C)(C)OC(=O)N1CCC=2N(CC3CCC3)C(=O)C(=CC=2C1)c4cc(ccc4)Cl	3993
+CC(C)(C)OC(=O)N1CCC(CCC1)=C	7268
+CC(C)(C)OC(=O)N1CCCc2n[nH]c(c2C1)C(=O)OCC	2783
+CC(C)(C)OC(=O)N1CC(C(OCCN)c2cc(Cl)cc(F)c2)CCC1	51
+CC(C)(C)OC(=O)N1CC(CCC1)(Cc2ccc(cc2)C)CO	44
+CC(C)(C)OC(N1CCCC(C(N(OC)C)=O)C1)=O	164
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCCCN3C(C4CN(CCC4)C(OC(C)(C)C)=O)=O)=O	348
+c1cc(ccc1)Cn2cc(-c3cc4nccnc4c(NCC5CCCNC5)n3)cn2	2
+CC(C)(C)OC(N1CCCC(C1)Cn2c(c(Br)c3cnc(NCc4ccc(F)c(F)c4)nc23)-c5c(cccc5Cl)Cl)=O	96
+CC(C)(C)OC(N1CC(CNCc2ncc3c(c2)OCCO3)CCC1)=O	294
+CC(C)(C)OC(=O)N1CCCC(C1)CNC(=O)CCc2ncc(cn2)-c3ccc(c(OC)c3)OC	9
+CC(C)(C)OC(=O)N1CC(CCC1)CNc2c3nccnc3cc(n2)Cl	1679
+C1CN(CCC1C(=O)Nc2ccc(c(Cl)c2)Cl)CC3CCCNC3	2
+CC(C)(C)OC(=O)N1CC(CNc2nc(cc3ncccc23)Cl)(F)CCC1	2791
+CC(C)(C)OC(=O)N1CC(COc2c3cccnc3cc(n2)Cl)(F)CCC1	7269
+CC(C)(C)OC(=O)N1CCCC(C1)Nc2nc(N3CCOCC3)nc(OC)c2-c4nc5cc(Br)ccc5s4	3784
+CC(C)(C)OC(=O)N1CC(CCC1)Nc2c3c(nc(n2)Nc4ccc(cc4)N(C)C(=O)CC)n(C5OCCCC5)cn3	55
+C1NCCCC1Oc2ccccc2OCC	2
+n1n(c(nn1)-c2cc(cnc2N)C3=CCNCCC3)-c4cccc(c4F)F	366
+CC(C)(C)OC(N1C(C(=O)Nc2cc3c(cc2)n[nH]c3)C(CCC1)c4ccccc4)=O	33
+c1cc(ccn1)-c2c3c([nH]n2)ccc(-c4nc(C5CCCNC5)n(C)n4)c3	2
+CC(C)(C)OC(=O)N1CCCC(c2nc(-c3cc4c(-c5ccncc5)n[nH]c4cc3)nn2C)C1	7270
+c1cc(ccc1Oc2c(cccc2)F)-c3nn(c4c3c(N)ncn4)C5CNCCC5	2
+CC(C)(C)OC(=O)N1CC(n2c(-c3ccc(cc3)Oc4ccccc4)c(c(n2)N)C(N)=O)CCC1	3832
+CC(C)(Cc1c[nH]c(C2(Cc3ccc(cc3)-c4ccc(F)cn4)CCCN2)n1)CC	2
+CC(C)(C)OC(=O)N1C(c2nnn[nH]2)CCC1	420
+c1cc(ccc1)OCC(O)C2NCCC2	2
+CC(C)(C)OC(=O)N1CCCC1C#N	143
+CC(C)(C)OC(=O)N1C(CNc2ccc(cc2Oc3ccc(cc3)C#N)-c4ccccc4)CCC1	291
+CC(C)(C)OC(=O)N1C(CCC1)CNc2nc3n(ncc3I)cc2	1390
+CC(C)(C)OC(=O)N1CCCC1CNCCC	285
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)I)=O	450
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCc3ccccc3)=O	450
+CC(C)(C)OC(=O)N1C(CCC1)COc2ccc(cc2)Cc3ccccc3	450
+CC(C)(C)OC(=O)N1C(CCC1)COc2ccc(cc2)Oc3ccccc3	450
+CC(C)(C)OC(=O)N1CCCC1Cn2c3ccc(CO)cc3nc2NC(c4sc(C(F)F)cc4)=O	98
+FC(F)c1sc(C(=O)Nc2nc3c(ccc(CO)c3)n2CC4NCCC4)cc1	2
+c1c(C2NCCC2)cc(c(-c3nc4cccc(C(=O)N)c4[nH]3)c1)F	2
+CC(C)(C)OC(N1CCCCC1c2cc(-c3cccc(C#N)c3)on2)=O	7271
+CC(C)(C)OC(N1CCCCC1CC(=O)Nc2c(O)cccc2)=O	33
+CC(C)(C)OC(=O)N1C(CCNc2c(c(O)ccn2)NC(=O)Cc3cc(ccc3-n4cncn4)Cl)CCCC1	469
+CC(C)(C)OC(=O)N1CCCCC1CCNc2c(N)c(O)ccn2	13
+CC(C)(C)OC(=O)N1CCCN(c2nc(C(c3cccnc3N)=O)cc4c2cccc4)CC1	905
+c1cc(ccc1)-n2c3ccccc3c(C=O)c2N4CCNCCC4	2
+C1C2CCCN1c3ccc(nc3N2C(Nc4ccncn4)=O)N5CCCNCC5	2
+CC(C)(C)OC(=O)N1CCCN(c2ccc3c(N(C4CN3CCC4)C(=O)Nc5ccncn5)n2)CC1	2792
+CC(C)(C)OC(=O)N1CCCN(c2nc3c(C=C(c4nc5sccn5c4)C(O3)=O)cc2)CC1	7272
+CC(C)(C)OC(N1CCCN(c2nc3c(cccc3)n2CCOS(=O)(=O)C)CC1)=O	7
+CC(C)(C)OC(=O)N1CCCN(c2n(C)ncc2N)CC1	209
+c1(n(C)ncc1[N+]([O-])=O)N2CCCNCC2	2
+CC(C)(C)OC(=O)N1CCN(CCC1)C(=O)c2nn(-c3ccsc3)c4-c5cc(CC(C)C)c(OC)cc5OCc24	147
+CC(C)(C)OC(=O)N1CCN(c2c(Cl)cc(Cl)cc2)CCC1	79
+CC(C)(C)OC(=O)N1CCCN(CC1)c2ccc(c(n2)O)C=O	43
+CC(C)(C)OC(=O)N1CCCN(c2n(ncc2[N+](=O)[O-])C)CC1	959
+CC(C)(C)OC(=O)N1CCCN(c2ccc3c(n2)NC4CCCN3C4)CC1	43
+CC(C)(C)OC(N1CCN(CCC1)c2ccc(Br)cn2)=O	323
+CC(C)(C)OC(=O)N1CCCN(c2c(C=O)c3c(n2-c4ccccc4)cccc3)CC1	2646
+CC(C)(C)OC(N1Cc2c([nH]nc2CCC1)C(N3CCC(CC3)c4c(cccc4)C(F)(F)F)=O)=O	3411
+c1(nc2c(cc1)cc(C#N)cc2)N3C(CNCC3)=O	255
+CC(C)(C)OC(=O)N1CCN(C(=O)OC)CC1CCOc2ccccc2	20
+c1ccccc1OCCC2NCCN(C(=O)OC)C2	2
+CC(C)(C)OC(N1CCN(C(=O)OCc2ccccc2)C(C(Nc3ccc(cc3)Cl)=O)C1)=O	33
+c1cc(ccc1F)-c2ccc3c(c(nc(N)n3)N4CCN(C(=O)COc5ccc(cc5)Cl)CC4C)n2	1324
+CC(C)(C)OC(=O)N1CCN(c2ccc(nc2)N)C(CC)C1	161
+CC(C)(C)OC(N1CC(CNc2nc(Cl)cc3c2nccn3)N(CC1)C)=O	1679
+CC(C)(C)OC(=O)NC(C(C)C)C(N1CC(N(CC1)C(c2ccc(cc2)Cl)=O)C(=O)OC)=O	4083
+CC(C)(C)OC(N1CCN(CC1)C(NO)=N)=O	2001
+CCN(CC)CCN(C(=O)N1CCNCC1)Cc2ccc(cc2)Cl	2
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2cc(COS(=O)(=O)C)ccc2F)=O	7
+CC(C)(C)OC(N1CCN(CC1)C(c2c(Oc3c(C)ccc(F)c3)n(-c4ccccc4)c5cnc(cc25)OC)=O)=O	7273
+C1CNCCN1C(=O)c2cccc3c(c[nH]c23)CN4CCOCC4	2
+C1CN(CCN1)C(=O)c2ccc(cc2)NC(NCC3CC3)=O	2
+C1CN(CCN1)C(CC)C#Cc2cccc(c2)Cl	2
+O=C(OC)C(C(=O)OC)(CNC(c1ccc(cc1)OCC#CC)=O)N2CCNCC2	2
+CC(C)(C)OC(N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNS(=O)(=O)c2ccc(cc2)OCC#CC)=O	71
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	93
+C1CNCCN1C(=O)OCCCC	2
+CC(C)N1CCC(CC1)Oc2cc3c(cc2Cl)[nH]c(c3)C(N4CCNCC4)=O	2
+C1CN(CCN1)C(=O)c2ccc(cc2)-c3nc(-c4nc5cnccc5o4)c(N)nc3	2
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)C(=O)O	1
+c1cc(ccc1F)C(N2CCNCC2)C	2
+C1CNCCN1C(=O)c2ccc3n(c(c(C)n3)-c4ccccc4)c2	2
+C1CC1(C(=O)N2C(C(NC3(CC3)C#N)=O)CC(S(=O)(=O)c4ccccc4Cl)C2)N5CCNCC5	2
+C1CNCCN1C2CCC(CC2)(Cc3ccccc3C)OC	2
+C1CNCCN1CC#N	2
+c1cc(ccc1Oc2ccccc2)NC(=O)CN3CCNCC3	2
+C1CN(CCN1)CC(=O)c2ccc(cc2)F	2
+CC(C)(C)OC(=O)N1CCN(CC1)CC(O)c2ccc3C=Cc4c(cc(-c5cn(C)nc5)cn4)C(=O)c3c2	4111
+C1CN(CCN1)CC=2CC(C)(C)CCC=2c3ccc(cc3)Cl	2
+C1CN(CCN1)CC2=Nc3ccc(cc3C(N2c4ccccc4)=O)[N+](=O)[O-]	2
+CC(C)(C)OC(=O)N1CCN(CC1)CC2=C(c3ccc(cc3)Cl)CCC(C)(C)C2	7274
+CC(C)(C)OC(=O)N1CCN(CC1)CCn2ncc3cc(ccc23)Oc4ccc(cc4CN)F	107
+C1CC(CCC1)C(NC(c2c3c(ccc(F)c3)nc(-c4ccccc4)c2CN5CCNCC5)=O)C	2
+C1COCCN1C(=O)c2c(ccc(Cl)c2)CN3CCNCC3	2
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(C(O)=O)c3c(nc2-c4ccccc4)cccc3	1
+CC(C)(C)OC(N1CCN(CC1)Cc2c(cc(-c3cc(ncc3)C)cc2)F)=O	498
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c3OC(=Cc4c[nH]c5c4cccc5)C(=O)c3cc(Cl)c2O	2506
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2nc3c(ccc(F)c3)cc2C(C)Nc4ncnc(N)c4C#N	40
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(ccc3C(=O)C(=Cc4[nH]nc5c4cc(cc5)Cl)Oc23)O	4112
+CC(C)(C)OC(N1CCN(CC1)Cc2c(ccc3C(C(Oc23)=Cc4cn(c5ccccc45)S(=O)(=O)C)=O)O)=O	2506
+C1CNCCN1Cc2cc(ccc2N3CCCC3)Cl	2
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc3sc(-c4c(cccc4)N)nc3c2	0
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(Cl)cc2N3Cc4ncnn4CC3	79
+C1CN(CCN1)Cc2ccc(Cl)cc2N3Cc4ncnn4CC3	2
+c1cc(ccc1C2Nc3cccc4c3c(C2c5ccc(cc5)F)nnc4O)CN6CCNCC6	2
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCOc3ccc(cc3)C	20
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCO	35
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(cc(cc2)Cl)C(O)=O	1
+CN(C)c1cc(ccc1)C(=O)Nc2cccc(c2)-c3nc4c(ccc(CN5CCNCC5)n4)o3	2
+C1CNCCN1Cc2cccc3C(=O)C(Oc23)=Cc4n[nH]c5ncccc45	2
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cccc3C(=O)C(Oc23)=Cc4n[nH]c5ncccc45	4112
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc3c(nc(s3)-c4ccccc4NC(c5cccc(-c6[nH]nnn6)c5)=O)c2	67
+C1CN(CCN1)Cc2nc3c(ccc(F)c3)cc2C(C)Nc4ncnc(N)c4C#N	2
+CC(C)(C)OC(N1CCN(CC1)NC(=O)c2cc3ccccc3n2Cc4noc(c4)-c5ccc(Cl)s5)=O	2096
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2c(ccc(c2)[N+](=O)[O-])Oc3cc(ccc3Cl)Cl	415
+O=S(=O)(c1c(ccc(c1)[N+](=O)[O-])Oc2cc(ccc2Cl)Cl)N3CCNCC3	2
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2cc(ccc2Cl)C(N(C)C)=O	30
+C1CNCCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C	2
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)N	0
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(Cl)cc(cc2Cl)OCC=C(Cl)Cl	7275
+c1(cc(cc(Cl)c1N2CCNCC2)OCC=C(Cl)Cl)Cl	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(cnc2N)OCc3cccc(Cl)c3	1335
+CC(C)(C)OC(N1CCN(CC1)c2ccc(C(=O)OC)cc2I)=O	158
+C1CN(CCN1)c2ccc(C(NC3CC3)=O)cc2C	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(Cl)cc(cc2Cl)O	5
+CC(C)(C)OC(N1CCN(CC1)c2c(cccc2)-c3ccc(cc3)C=O)=O	11
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)CN(C)C	48
+C1CNCCN1c2ccccc2CN(C)C	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)NS(=O)(=O)C	80
+CC(C)(C)OC(N1CCN(CC1)c2ccccc2N(S(=O)(=O)C)C)=O	418
+C1CNCCN1c2nc(N)nc3-c4ccccc4OCCc23	2
+C1CNCCN1c2c3c(ccc(CCC(OC)=O)n3)ccc2	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(-c3nc4c(n3C)cccc4)c2	1652
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(c(-n3c(C)ccc3C)c2)N	0
+CC(C)(C)OC(N1CCN(CC1)c2cccc(c2)C(Nc3ccccc3N)=O)=O	67
+CC(C)(C)OC(N1CCN(CC1)c2cc(NC(CNc3cc(c(cc3)F)F)=O)c(cc2)Cl)=O	1391
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(ccc(c2)O)NC(c3c4ccccc4ccc3)=O	16
+C1CN(CCC1)CCCOc2ccc(N3CCNCC3)cc2F	2
+c1nc(ncc1)NC2c3c(N(C(=O)C)C(C4CC4)C2C)ccc(N5CCNCC5)c3	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(C(=O)c3cccnc3N)c4c(cccc4)c2	905
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(c(cc2)NC(=O)c3ccc(o3)C#N)-n4c(C)ccc4C	1129
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(Cl)c(c2)N	1497
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc3c(c2)cc(C(OCC)=O)o3	4113
+CC(C)CC(C(NCC#N)=O)Cc1ccccc1-c2ccc(cc2)N3CCNCC3	2
+C1CN(CCN1)c2ccc(cc2)-c3ccc(Cl)c(N4C(C(NCC#N)=O)CC(C4)C)c3	2
+FC(F)(F)c1ccc(nc1)C#Cc2cnc(cc2)N3CCN(CC3)S(=O)(=O)C	7276
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(nc(-c3cc(OC(C4CC(=O)NC4)C)c5scnc5c3)cc2)OC	4114
+C1CNCCN1c2cc(ccc2)-c3c(F)cc(F)cc3	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(c2)-c3ccnc4[nH]c5ccccc5c34	2070
+C1CN(CCN1)c2cccc(c2)C#N	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(C(=O)O)ccc2	6
+C1CNCCN1c2cc(ccc2)CN3C(CCCc4ccccc34)=O	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(B(O)O)c2	281
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(-c3c(F)cc(F)cc3)c2	11
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)N	0
+CC(C)(C)OC(N1CCN(CC1)c2c(Cl)c(Cl)ncc2)=O	395
+C1CNCCN1c2nc(cnc2N)OCc3cccc(Cl)c3	2
+c1cc(ccc1CCNc2nc(nc(n2)N(C)CCCc3ccc(cc3)Cl)N4CCNCC4)O	2
+c1cc(ccc1NC(=O)Nc2ccncc2)-c3nc(nc(N4CCNCC4)n3)N5CC6CCC(C5)O6	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc(N3CC4CCC(C3)O4)n2)-c5ccc(cc5)NC(=O)Nc6ccncc6	1680
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc3ccccc23)NC4CCN(C4)Cc5ccccc5	798
+c1ccccc1CC(=O)N2CC(CC2)Nc3nc4c(c(n3)N5CCNCC5)cccc4	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc3ccccc23)NC4CNCC4	25
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc3ccccc23)NC4CCN(C(=O)Cc5ccccc5)C4	58
+CC(C)(C)OC(=O)N1CCN(CC1)C=2C(=O)N(CCOc3c(cc(F)c(F)c3)F)c4ccccc4N=2	7277
+C1CNCCN1c2ccc(-c3cn4c(nc3)ncc4C5(CC5)c6cc7cccnc7cc6)cn2	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc3ccccc3c(C(=O)c4cccnc4F)n2	7278
+c1cc(ccc1Cl)-c2nccnc2N3CCNCC3	2
+C1CNCCN1c2nccnc2Cl	2
+CC(C)(C)OC(N1CCN(CC1)c2c3ncn(C)c3ncn2)=O	4115
+C1CN(CCN1)c2oc(C3CCC4N(C(=O)N3C4)OCc5ccccc5)nn2	2
+CC(C)(C)OC(=O)N1CCN(Cc2c(Cl)cc(cc2)N)CC1C	0
+CC(C)(C)OC(=O)N1CCN(c2ccc(nc2)NC3=CC(=CN(C3=O)C)Br)CC1C	523
+CC(C)(C)OC(=O)N1CCN(CC1CCOc2c(cccc2)F)C(OCc3ccccc3)=O	262
+CC(C)(C)OC(=O)N1C(CCn2cnc3c2cccc3)CN(C(=O)OCc4ccccc4)CC1	4088
+CC(C)(C)OC(N1C(CCn2c3ccccc3cn2)CN(CC1)C(=O)OCc4ccccc4)=O	7279
+CC(C)(C)OC(N1CCN(C(=O)OCc2ccccc2)CC1CCNc3ccc(cc3)C(=O)C)=O	2127
+CC(C)Cc1cc-2c(OCc3c(nn(-c4cscc4)c-23)C(=O)N5CCNCCC5)cc1OC	2
+N1(CCCNCC1)c2oc(nn2)C	2
+CC(C)C1COC(=O)N1c2nc(ncc2)NC(C)c3ccc(cc3)CN4CC(C)(C)NCC4	2
+CC(C)(C)OC(=O)N1CCNCC1CCO	25
+Clc1ccc(N2CCCNCC2)c(Cl)c1	2
+C1CC1N2C=C(C(OCC=C)=O)C(c3cc(F)c(c(c23)OC)N4CCNC(C4)C)=O	2
+c12c(c(OCCCC(OC)=O)c(C)cc1cccn2)N3CCCNCC3	2
+CC(C)(C)OC(=O)N1CCN(c2c3ccc(nc3n(CC)c2)OCc4ccccn4)C(C1)=O	430
+N1CC(=O)N(c2c3ccc(nc3n(CC)c2)OCc4ncccc4)CC1	255
+O=S(=O)(N1CCN(CC1)c2cnc(cc2)N3CCNc4ccccc34)C5CC5	396
+C1CN(CCN1c2ccc(N3CCNc4ccccc34)nc2)S(=O)(=O)CC	396
+CC(C)(C)OC(=O)N1CCN(c2ccc(nc2)NC3=CC(=CN(C3=O)C)Br)C(CC)C1	523
+CN1C=C(C=C(C1=O)Nc2ccc(N3C(CC)CNCC3)cn2)Br	2
+N1CCN(CC1C)c2ccc(NC3=CC(=CN(C)C3=O)Br)nc2	2
+CC(C)(C)OC(=O)N1CCN(CC1C)c2cnc(cc2)N	161
+CC(C)(C)OC(=O)N1CCN(c2ncc(cc2)N3CCNCC3)c4ccccc14	62
+CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCN(CC3)S(=O)(=O)CC)cn2)c4ccccc14	112
+C1CC12NCCN(c3c4c(ncn3)[nH]cc4)C2	2
+c1cc(ccc1OCC2CN3C(CNCC3)CC2)F	2
+C1CC(Cn2c3c(cc(cc3)F)cc2)CN4CCNCC14	2
+CC(C)(C)OC(=O)N1CCN2C(CCC(Cn3c4ccc(cc4cc3)F)C2)C1	7280
+CC(C)(C)OC(N1CCN(C(OCc2ccccc2)=O)C(C1)c3ccccc3)=O	66
+C1CNCCN1	2
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(N2CCN(CC2)C(OC(C)(C)C)=O)=O	10
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCO[Si](C)(C)C(C)(C)C	48
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)CCN2CCN(CC2)C(=O)OC(C)(C)C	7281
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2[nH]c3cc(Cl)c(OC4CCN(CC4)C(C)C)cc3c2)=O	147
+CC(C)(C)OC(=O)N1CCN(CC1)CC=2CC(C)(C)CCC=2Br	7282
+CC(C)(C)OC(=O)N1CCN(CC1)C(C#Cc2cccc(c2)Cl)CC	7283
+CC(C)(C)OC(=O)N1CCN(CC1)C(OCCCC)=O	66
+CC(C)(C)OC(N1CCN(CC1)C(c2c(F)cccc2)C#N)=O	7284
+CC(C)(C)OC(N1CCN(CC1)C(NCc2ccc(cc2)C#N)=O)=O	1893
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(Cl)cc2Br	48
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2C(=O)OC)Cl	48
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccnc(c2)Cl	264
+CC(C)(C)OC(N1CCN(CC1)c2n(-c3ccccc3Cl)c4c(N(C)C(N(C)C4=O)=O)n2)=O	4116
+CC(C)(C)OC(N1CCN(CC1)c2nc(ccc2)N)=O	43
+FC(F)(F)C(N1CCN(CC1)C(=O)OC(C)(C)C)=O	520
+FC(F)(F)C(C)(C)NC(=O)c1cc(CN2CCN(CC2)C(=O)OC(C)(C)C)ccc1	171
+FC(F)(F)COc1ccc(cc1)N2CCN(CC2)C(OC(C)(C)C)=O	79
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3nc(ccc3ccc2)CCC(OC)=O	1563
+CC(C)(C)OC(N1CCN(CC1)c2cccc(C)c2[N+](=O)[O-])=O	908
+FC(F)(F)c1ccccc1C(=O)N2CCN(CC2)C(=O)OC(C)(C)C	115
+FC(F)(F)c1cc(C(=O)OC)ccc1CN2CCN(CC2)C(=O)OC(C)(C)C	131
+FC(F)(F)c1cccc(N2CCC(C2)O)c1CN3CCN(CC3)C(=O)OC(C)(C)C	48
+FC(F)(F)c1cc(Br)cc(c1)N2CCN(CC2)C(OC(C)(C)C)=O	34
+FC(F)(F)c1cc(ccc1C#N)-n2nnnc2CN3CCN(CC3)C(=O)OC(C)(C)C	894
+CC(C)(C)OC(N1CCN(CC1)C(=O)c2nc3ccc(Oc4ccc(C(F)(F)F)nc4)cc3cc2)=O	147
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)OC(C)(C)C	92
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(OC(C)(C)C)=O	361
+FC(F)(F)c1n2c(nn1)ccc(N3CCN(CC3)C(OC(C)(C)C)=O)n2	212
+CC(C)(C)OC(=O)N1CCN(CC1)CCc2ccc(C#N)c(c2)OC(F)F	61
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(c(-c3nc4N(S(=O)(=O)N(c4cc3)CC5CC5(F)F)C)c2)C)=O	889
+CC(C)(C)OC(N1CCN(CC1)c2cccnc2Cl)=O	2064
+CC(C)(C)OC(N1CCN(CC1)C(c2cc(nc3c2c(nn3C4CCCCO4)I)Cl)=O)=O	30
+CC(C)(C)OC(=O)N1CCN(CC1)C#N	739
+CC(C)(C)OC(=O)N1CCN(CC1)CC#N	1576
+CC(C)(C)OC(N1CCN(CC1)c2cc(c([N+]([O-])=O)c(N)c2)C)=O	34
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(N)c(F)c2	30
+CC(C)(C)OC(N1CCN(CC1)C(=O)C2Oc3ccc(Cl)cc3C2)=O	10
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)C=O	34
+CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O	123
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2cc(ccc2Cl)C(=O)O	92
+CC(C)(C)OC(N1CCN(CC1)S(=O)(=O)c2cccc3ccccc23)=O	92
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(F)c(F)c(S(=O)(=O)C3CC3)cc2	34
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2	92
+CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4	1148
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(O)c2)=O	54
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncnc3nc[nH]c23	1310
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(cn2)C(=O)O)Cl)=O	43
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(CN3C(CCCc4ccccc34)=O)c2	79
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cc2)[N+](=O)[O-])=O	43
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc3c(n2)nc(-c4cccc(c4)[N+]([O-])=O)o3)=O	596
+CC(C)(C)OC(N1CCN(CC1)c2c(cccc2Cl)[N+](=O)[O-])=O	202
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3ccn(C)c3c2)C(C)N)=O	3372
+CC(C)(C)OC(=O)N1CCN(CC1)c2nccnc2Cl	317
+CC(C)(C)OC(N1CCN(CC1)c2c(ccc(F)c2C#N)F)=O	34
+CC(C)(C)OC(N1CCN(CC1)c2nccc(c2)-c3c(F)c(F)ccc3)=O	43
+CC(C)(C)OC(N1CCN(CC1)c2ccc(C(OC)=O)cc2[N+](=O)[O-])=O	34
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(nc2OC)Cl	244
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(-n3c(C)ccc3C)c([N+](=O)[O-])cc2	202
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2cccc3c(C=O)c[nH]c23)=O	211
+CC(C)(C)OC(N1CCN(CC1)c2scc(n2)-c3c(c(F)ccc3)F)=O	641
+CC(C)(C)OC(N1CCN(CC1)c2cc(cc(C)n2)OCC)=O	323
+CC(C)(C)OC(=O)N1CCN(CC1)C2Cc3c(ccc(N4C(c5c(C4=O)cccc5)=O)c3)CC2	85
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3c(-c4ccccc4OCC3)nc(N)n2	54
+CC(C)(C)OC(N1CCN(CC1)CCCCN2C(c3c(C2=O)cccc3)=O)=O	28
+CC(C)(C)OC(N1CCN(CC1)c2nc3c(c4ncnn24)c(c(Br)cc3)F)=O	7285
+CC(C)(C)OC(N1CCN(CC1)C(CCc2c3C(CCCc3[nH]c2)=O)=O)=O	10
+CC(C)(C)OC(N1CCN(CC1)c2c(F)cc(C(=O)OC)cc2)=O	34
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2c(F)ccc(CO)c2	30
+CC(C)(C)OC(N1CCN(CC1)c2cncc(n2)Cl)=O	317
+CC(C)(C)OC(N1CCN(CC1)Cc2cc3c([nH]c(n3)-c4c(cn[nH]4)NC(c5c(cccc5F)F)=O)cc2)=O	48
+CC(C)(C)OC(N1CCN(CC1)c2nc3cc(F)cc(F)c3c(c2C)Cl)=O	286
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)Br	79
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2C(OC)=O)F)=O	34
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(c(c2)C=O)O	79
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(F)cc(cc2)Br	48
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc3C(C=C(c4nc5cc(C)ccn5c4)Oc3cc2)=O	79
+CC(C)(C)OC(N1CCN(CC1)c2cnc3c(cc(Br)cc3)n2)=O	1322
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(N)ncc(Br)n2	2089
+CC(C)(C)OC(N1CCN(CC1)c2c3ccncc3cc(n2)-c4cc(ncc4)Cl)=O	43
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cc3nc(-c4c(cccc4)[N+](=O)[O-])sc3nc2	619
+CC(C)(C)OC(N1CCN(CC1)C2(c3c(cc(Cl)cc3)NC2=O)Cc4cccc(Cl)c4)=O	7286
+CC(C)(C)OC(=O)N1CCN(CC1)CCn2ncc3cc(ccc23)Oc4c(cc(cc4)F)C#N	61
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(C(OC)=O)c3ccccc3nc2-c4ccccc4	619
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2c(n(-c3ccccc3)c4cnc(cc24)OC)Cl	211
+c1cc(ccc1)C(c2ccccc2)CC(=O)N3CCN(CC3)C(=O)OC(C)(C)C	10
+CC(C)(C)OC(N1CCN(CC1)CCCCc2cn(c3c(nc(CCCC)nc23)N)COCc4ccccc4)=O	61
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc(cc2-c3ccc(cc3)Cl)F	619
+CC(C)(C)OC(=O)N1CCN(CC1)c2nccnc2-c3ccc(cc3)Cl	317
+CC(C)(C)OC(=O)N1CCN(CC1)c2n3nc(c(-c4ccc(cc4)Cl)c3nc(C)c2)-c5c(cccc5)Cl	1575
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)C(=O)OCC)=O	34
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)C(C)=O)=O	171
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)F)C	2030
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)C(OC)=O)=O	30
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)C3Nc4cccc5c4c(C3c6ccc(cc6)F)nnc5O	48
+CC(C)(C)OC(N1CCN(CC1)CCc2ccc(cc2)CCc3nc(NC(=O)C)sc3)=O	28
+CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)c2ccc(cc2)F	676
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)NCC3CC3	30
+CC(C)(C)OC(N1CCN(CC1)c2nc(C(C)C)cc(Nc3ccc(cc3)C)n2)=O	117
+CC(C)(C)OC(N1CCN(CC1)C(=O)Oc2ccc(cc2)[N+](=O)[O-])=O	66
+CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)Nc2ccc(cc2)Oc3ccccc3	1228
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)[N+]([O-])=O	92
+CC(C)(C)OC(N1CCN(CC1)C(c2c(c(-c3ccccc3)n4c2cc(cc4)Br)Cc5c(C)c(F)ccc5)=O)=O	211
+CC(C)(C)OC(N1CCN(CC1)c2nnc(c(-c3ccccc3)c2)Cl)=O	212
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2cn3c(-c4ccccc4)c(nc3cc2)C)=O	211
+CC(C)(C)OC(N1CCN(CC1)C(C2CCCCN2C(OCc3ccccc3)=O)=O)=O	10
+CC(C)(C)OC(N1CCN(CC1)c2cc(OCc3ccccc3)ccc2[N+]([O-])=O)=O	34
+CC(C)(C)OC(N1CCN(CC1)c2cncc(OCc3ccccc3)c2)=O	244
+CC(C)(C)OC(=O)N1CCN(CC1)CC2=Nc3ccc(cc3C(=O)N2c4ccccc4)[N+](=O)[O-]	4077
+CC(C)(C)OC(N1CCN(CC1)C(=O)Nc2noc3c2cccc3)=O	437
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc3c(cc2)N(C(=O)C)C(C4CC4)C(C3Nc5ncccn5)C	79
+C1CNCCN1c2sc3cc(ccc3n2)C(OC)=O	7287
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(Cl)c2)=O	54
+CC(C)(C)OC(N1CCN(CC1)c2ccnc(Cl)n2)=O	54
+CC(C)(C)OC(N1CCN(CC1)Cc2cnc(F)cc2)=O	619
+CC(C)(C)OC(N1CCN(CC1)c2c3n(cc(n2)Br)cnn3)=O	2072
+CC(C)(C)OC(N1CCN(CC1)c2c3c(nc(cc3)C)ncn2)=O	778
+CC(C)(C)OC(N1CCN(CC1)Cc2cscn2)=O	2446
+CC(C)(C)OC(N1C(CN(c2c3c(ncn2)cc(Cl)c(Br)c3)CC1)C(=O)OC)=O	54
+CC(C)(C)OC(=O)N1C(C(OC)=O)CN(CC1)Cc2cc(ccc2)-c3ccnc(Cl)n3	48
+CC(C)(C)OC(N1C(CCCC)CN(CC1)C(=O)c2cccc3ccccc23)=O	30
+CC(C)(C)OC(=O)N1C(CN(CC1)C(=O)OCc2ccccc2)CCO	66
+CC(C)(C)OC(=O)N1CCOC(C1)CNc2c3c(cc(-c4cn(nc4)C)n2)nccn3	1675
+CC(C)(C)OC(=O)N1CCOC(C1)Cc2cc(CO)ccc2	41
+CC(C)(C)OC(=O)N1CCOC(Cc2cc(COC)ccc2)C1	76
+CC(C)(C)OC(=O)N1CCOC(C1)Cc2cc(C=O)ccc2	146
+CC(C)(C)OC(=O)N1CC(OCC1)COc2nc(-c3ccc(cc3)N4CCOCC4)cc5nccnc25	3821
+CC(C)(C)OC(=O)N1CC(C(c2ccc(Cl)c(c2)Cl)OCC1)CN	18
+CC(C)(C)OC(N1CCOCC(n2c3ncnc(c3c(n2)-c4ccc(cc4)Oc5ccccc5)N)C1)=O	918
+CC(C)(C)OC(=O)N1CCOCC1CO	21
+C1COCC(CO)N1C	352
+CC(C)(C)OC(=O)N1C(COCC1)COC(=O)N2CCN(CC2)c3ccc(cc3)F	2078
+Clc1cccc(c1)-c2onc(C3NCCOC3)c2	2
+CC(C)(C)OC(N1c2cc(C=O)ccc2OCC1)=O	146
+CC(C)(C)OC(N1C(CSCC1)CCN)=O	51
+N1(CCCC1=O)c2ccc(Oc3cc4CCNCCc4cc3)nc2	2
+c1(cc2CCNCCc2cc1)Oc3c(F)cc(I)cc3	2
+n1c(oc2ccc3c(c12)CCNCC3)C	2
+CC(C)(C)OC(N1CCc2c(CC1)cn(-c3ccc(cc3)NS(=O)(=O)C)n2)=O	1158
+CC(C)(C)OC(N1CCc2nn(-c3ccc(cc3)S(=O)(=O)C)cc2CC1)=O	1158
+CC(C)(C)OC(N1CCc2c(c(ccc2CC1)Cl)CCl)=O	438
+CC(C)(C)OC(=O)N1CCc2c3ccc(cc3n(c2C1)C)Br	144
+c1c(C)cc(C)c2c1c3CNCCc3n2C	2
+c1cnccc1N2CCC(CC2)COc3ccc4c(CNCC4)c3	2
+CC(C)(C)OC(=O)N1CCc2cc(OC)c(N)cc2CC1	0
+c1ccc(OCc2nccc(C)c2)c(-c3cc4c(cc3)CCNCC4)n1	2
+CC(C)(C)OC(=O)N1CCc2c(nc3ccnn3c2N4C(COC)CC4)CC1	76
+c1c(cc2n(C)c3CNCCc3c2c1)Br	2
+FC(F)(F)c1ccc(cn1)COC2=CC(=O)N(C=C2)c3ccc4c(c3)n(c5c4CCN(C5)C(=O)OC(C)(C)C)C	2027
+CC(C)(C)OC(=O)N1CCc2c(n(C)c3c2ccc(c3)N4CCN(CC4=O)CCc5ccccc5)C1	2653
+CC(C)(C)OC(=O)N1CCc2c(C1)n(c3c2ccc(N4C=CC(=CC4=O)c5ccc(cc5)Cl)c3)C	2793
+CC(C)(C)OC(N1CCc2cc3nc(oc3cc2CC1)C)=O	2794
+CC(C)(C)OC(=O)N1CCc2cc(c(cc2CC1)OC)NS(=O)(=O)c3ccc(cc3)-c4sc(cc4)Cl	1373
+CC(C)(C)OC(=O)N1CCc2cc(NS(=O)(=O)c3ccc(cc3)I)c(cc2CC1)OC	69
+CC(C)(C)OC(=O)N1CCc2c(cc(c(c2)[N+]([O-])=O)OC)CC1	77
+c1cc(cc2CCNc12)OCCCCN(CC=C)C	396
+CC(C)(C)OC(=O)N1CCc2cc(Oc3ccc(C(NC)=O)cc3OC)ccc2CC1	14
+c1c(c(ccc1C(NC)=O)Oc2cc3CCNCCc3cc2)OC	2
+c1cc(cc2CCNc12)SCCO	396
+c12c(c(F)c(Br)cc1CCN2)C(=O)O	396
+CC(C)(C)OC(=O)N1CCc2cc(Oc3c(cc(cc3)C(O)=O)OC)ccc2CC1	1
+O=C(c1ccc(Oc2cc3CCNCCc3cc2)nc1)NC	2
+CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Oc3ncc(-c4onc(n4)C)cc3	7288
+CC(C)(C)OC(N1CCc2c(CC1)c(Cc3cccnc3)c(cc2)Cl)=O	7289
+c1(-c2onc(C)n2)ccc(Oc3cc4CCNCCc4cc3)nc1	2
+CC(C)(C)OC(N1CCc2c3ccccc3n(c2CC1)CCOCC)=O	21
+C1CCCCN1C(=O)c2c3c(on2)CCNC3	2
+CC(C)(C)OC(N1CCn2c(c(cn2)I)C1)=O	1160
+CC(C)(C)OC(N1Cc2n(cc(-c3cc(ccc3)F)c2C(OCC)=O)CC1)=O	1866
+CC(C)(C)OC(=O)N1CCn2c(c(c(C(O)=O)c2C1)-c3cccc(c3)F)Br	6
+C1CNCc2c(c(-c3cc(F)ccc3)c(Br)n12)C(=O)N	2
+CC(C)(C)OC(=O)N1Cc2n(c(Br)c(c2C(n3cncc3)=O)-c4cccc(c4)F)CC1	7290
+O=S(=O)(C)c1cc2n3c(C(NCC3)C(C)C)nc2cc1COC(C)=O	2
+CC(C)(C)OC(=O)N1Cc2ncc(Cl)n2CC1	844
+CC(C)(C)OC(=O)N1CCn2c3c(nc2C1C(C)C)cc(CO)c(S(=O)(=O)C)c3	88
+CC(C)(C)OC(=O)N1CCn2c(nc3cc(COC(C)=O)c(S(=O)(=O)C)cc23)C1C(C)C	204
+CC(C)(C)OC(=O)N1C(Cc2c3c(cccc3)n(Cc4ccc(cc4)F)c2C1)C(=O)N	190
+N1Cc2n(nc(-c3cc(F)ccc3)c2C(=O)N)CC1	2
+CC(C)(C)OC(=O)N1Cc2c(ccc(C3C(Nc4ccc(C#N)cc34)=O)n2)C1	4117
+C1CCC1(c2c3CN(C(Nc4cc(ccc4)Cl)=O)CCc3[nH]n2)C	7291
+CC(C)(C)OC(N1Cc2c(c(-c3nnn[nH]3)c(s2)NC(C)=O)CC1)=O	7292
+CC(C)(C)OC(N1Cc2sc3ncnc(Cl)c3c2CC1)=O	779
+C[Si](C)(C)CCOCn1c2c(nc1I)CN(CC2)C(OC(C)(C)C)=O	1073
+C1c2c(CC1Nc3nc4c(CNCC4)cn3)cccc2	2
+c1cc(CNc2c3c(nc4ccc(cc24)C#N)CCNC3)cc(Cl)c1OC	2
+c1nc2c(c(Nc3cc4c(nc3)cccc4)n1)CNC2	2
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(c2CC1)C)Br)=O	144
+CC(C)(C)OC(N1Cc2c(ccc(-c3ccc(cc3)-c4n(ccn4)C(=O)OCC(C)C)c2)OCC1)=O	11
+CC(C)(C)OC(N1CCn2c(C1)c(C=O)c3cc(OC)ccc23)=O	287
+CC(C)(C)OC(=O)N1CCOc2c(ccc(O)c2)C1	16
+CC(C)(C)OC(=O)N1Cc2c(c(c(C#N)n2CC1)-c3cccc(c3)F)C(=O)O	6
+CC(C)(C)OC(N1Cc2c(C(=O)N)ccn2CC1)=O	745
+n1cnsc1-c2nnc3CNCCn23	2
+CC(C)(C)OC(=O)N1CCn2c(c(c(C(=O)N)c2C1)-c3cc(ccc3)F)Br	7293
+CC(C)(C)OC(=O)N1Cc2c(CC1)c3c(ccc(N4C=CC(=CC4=O)OCc5ccccc5)c3)n2C	1614
+CC(C)(C)OC(N1Cc2c(C1)c(N3C(COCC3)C)nc(n2)-c4ccc(cc4)NC(NC5CC5)=O)=O	261
+Clc1n2CCNCc2nc1	2
+CC(C)(C)OC(=O)N1Cc2c(CC1)c3c(O)ncnc3s2	7294
+CC(C)(C)OC(=O)N1N(C)C(c2c1cc(cc2)N)=O	0
+Clc1ccc(C#N)c(C2=CC(=O)N(C(C(Nc3cc4NN(C(=O)c4cc3)C)=O)C)C=C2)c1	7295
+CC(C)(C)OC(=O)N1N(C)C(=O)c2ccc(cc12)NC(C(N3C=CC(c4c(ccc(Cl)c4)C#N)=CC3=O)C)=O	33
+O=S1(=O)N(c2ccccc2)CCCCN1	7296
+CC(C)(C)OC(=O)N1c2cc([N+](=O)[O-])c3c(cccc3)c2C(COC)C1	21
+CC(C)(C)OC(N1c2c(C)c(ccc2CC1)N)=O	0
+c1cc(c(c2c1CCN2)C)[N+]([O-])=O	396
+c1cc2c(cc1Br)C=C(CCN2)C(=O)OC	396
+CC(C)(C)OC(=O)N1CCC(=Cc2cc(ccc12)-c3cc(c(OCC)cc3)F)C(=O)OC	750
+C1Oc2cc(ccc2NC1CC(OCC)=O)Br	396
+CC(C)(C)OC(=O)N1CC(CCl)c2c3ccccc3c(cc12)O	16
+CC(C)(C)OC(=O)N1c2ccc(cc2CC1)C(=O)Nc3cnc4c(cccc4)c3	487
+c1([N+]([O-])=O)ccc2C(CNc2c1)CCl	396
+CC(C)(C)OC(=O)N1c2c(cccc2CCC1)C=CC(OC)=O	7297
+c12C(CCl)CNc1cc(OC(C)=O)c3c2cccc3	396
+CC(C)(C)OC(N1c2c(C(CO)C1)c3c(cccc3)c([N+]([O-])=O)c2)=O	88
+CC(C)(C)OC(=O)N1c2c(cccc2CCC1)C=O	151
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cc(-c3c(C)cccc3N)ccc2)c(SC)s1	7298
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cccc(-c3c(C)cccc3CO)c2)c(SC)s1	7299
+CC(C)(C)OC(=O)N=C1NC(=O)N(CCC(F)CN=[N+]=[N-])C=C1	310
+CC(C)(C)OC(=O)N=C1NC(C)(c2cc(NC(c3ccn(C(F)F)n3)=O)ccc2F)Cn4c(C#N)c(Cl)nc14	187
+CC(C)(C)OC(=O)N=C1NC2(c3c(F)ccc(NC(=O)c4ccc(cn4)Cl)c3)C(CCS1)C2	187
+CC(C)(C)OC(NC1=NC2(c3c(ccc(c3)NC(c4ccc(Br)cn4)=O)CC(C)(C)C2)CO1)=O	7300
+Clc1cnc(cc1)C(Nc2ccc(c(C34C(CCSC(N)=N3)C4)c2)F)=O	7301
+CC(C)(C)OC(=O)N=C1NC2(C(CCS1)C2)c3c(ccc(N)c3)F	0
+CC(C)(C)OC(=O)N=C1NC2(CC(C)(C)Cc3ccc(cc23)N)CO1	3860
+CC(C)(C)OC(=O)NC(=N)c1c(cc(OCCON)cn1)O	670
+CC(C)(C)OC(=O)NC(=N)c1c(O)cc(cn1)OCCON2C(c3c(cccc3)C2=O)=O	1920
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cccc(-c3c(NC(NCCN)=O)cccc3C)c2)c(SC)s1	3817
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cc(-c3c(cccc3NC(CCC(=O)O)=O)C)ccc2)c(SC)s1	3
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cccc(-c3c(C)cccc3COCCC(=O)OCC)c2)c(SC)s1	7302
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cccc(-c3c(cccc3C)COCCC(O)=O)c2)c(SC)s1	3
+O=S(=O)(c1c(SC)sc(c1)C(=N)N)c2cccc(c2)-c3c(cccc3C)COCCC(O)=O	4118
+c1cc(ccc1)COC(COc2cc(C)c(c(c2)C)S(=O)(=O)OCC(C(C(N)CC(C)C)=O)(O)C)=O	7303
+CC(C)C(CC(O)c1nc(cs1)C(OC)=O)N(CCC)C(=O)C(N)C(C)C	84
+c1cc(ccc1CC(N)C(=O)N(C)C)OCC#CC	84
+CC(C)(C)OC(NC(CCCC)C=O)=O	378
+CC(C)(C)OC(NC(C1=Nc2c(c(Cl)ccc2)C(=O)N1C3CC3)C)=O	7304
+CC(C)(C)OC(=O)NC(C(=O)C)CCCNC(=O)OCc1ccccc1	7305
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=S)N	199
+NC(Cc1ccc(Br)nc1)C(N)=O	84
+CC(C)(C)OC(=O)NC(CC(C)C)C(N1C(C(O)=O)CCC1CC)=O	3
+CC(C)(C)OC(=O)NC(C(=O)N1C(CCC1)C#N)CCC(=O)O	3
+C1CC(CCN1C(=O)C(N)C)CCc2c(nc(C)nc2N)Cl	84
+CC(C)(C)OC(=O)NC(C(C)C(O)=O)C(N1CCCC1)=O	4
+C1CN(CCN1C(OCc2ccccc2)=O)C(=O)C(N)CC(C)C	84
+CC(C)(C)OC(=O)NC(C(NC(Cc1c[nH]c2c1cccc2)C(=O)NN)=O)CC(C)C	561
+CC(C)(C)OC(=O)NC(C(NC(C(C)C)C(=O)NC(C(C)C)C(=O)O)=O)COCC=C	4
+CC(C)(C)OC(NC(Cc1c(F)ccs1)C(NC2(C(C2)c3ccccc3)C(=O)N)=O)=O	83
+C1CCC(C1)NC(=O)C(CC#N)N	84
+CC(C)(C)OC(=O)NC(C(NC1C(Nc2c(cccc2C1)N3CCCC3=O)=O)=O)CC(C)C	2795
+CC(C)C(C(NCCS)=O)N	84
+C1CC12COc3c(ccc(Oc4ccc(cn4)NC(=O)C(N)CC)c23)C	84
+c1cc(ccc1Oc2cc3c(COC3)cc2)NC(=O)C(C)N	84
+n1cc(cnc1Oc2ccc(c3c2C4(CC4)CO3)C)NC(C(N)CC)=O	84
+c12c(CC(C1)C3NC(=O)C(N(Cc4ccccc4[N+]([O-])=O)C3=O)C(CC)CC)cccc2	4119
+c12c(CC(C1)C3NC(=O)C(N(Cc4ccccc4CO)C3=O)C(CC)CC)cccc2	4119
+CC(C)(C)OC(=O)NC1C(Nc2c(ccc(c2)F)OC1)=O	33
+CC(C)(C)OC(=O)NC(C(=O)O)COc1ccc(cc1N)F	0
+CC(C)(C)OC(NC(C(N(c1ccc(cc1)OC)C)=O)Cc2cc(Br)ccc2)=O	429
+CC(C)(C)OC(NC(C(=O)O)C1CCC(CC1)NC(=O)OCc2ccccc2)=O	4
+CC(C)(C)OC(=O)NC(C(=O)OC)CCC(OS(=O)(=O)C)CNC(OCc1ccc(cc1)[N+](=O)[O-])=O	7
+CC(C)(C)OC(NC(CCC(SC(C)=O)CNC(=O)OCc1ccc(cc1)[N+](=O)[O-])C(OC)=O)=O	2128
+c1ccccc1COC(NCCCCC(C(OC)=O)N)=O	689
+CC(C)(C)OC(NC(C=O)Cc1ccc(cc1)Oc2ccc(cc2)Cl)=O	59
+CC(C)(C)OC(=O)NC(Cc1ncc(cc1)CCCC(C)O)C(=O)OC	3475
+CC(C)(C)OC(NC(CCCC(C)N)C(=O)OCC)=O	499
+CC(C)(C)OC(NC(C(=O)O)CCc1nc2cc(Cl)c(cc2n1CCC)Cl)=O	210
+CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NC(CC(C)C)C(O)=O	2445
+CC(C)(C)C(N)C(N1CCC(N=[N+]=[N-])C1C(=O)NC(Cc2ccc3ccccc3c2)C(=O)OC)=O	84
+CC(C)(C)OC(NC(C(C)C(OC)=O)c1[nH]c2ccc(cc2n1)C(C)(C)C)=O	442
+CC(C)(C)OC(=O)NC(C(c1onc(-c2c(Cl)cc(cc2)NS(=O)(=O)C)n1)C)C(=O)N3CCCC3	859
+CC(C)CC(N(C)C(=O)C(N)C(C)C)C(NC(C(Cc1ccccc1)=O)C)=O	84
+C1CN(CCC1Cc2ccc(Cl)c(Cl)c2)C(C(C(C)C)N)=O	84
+CC(C)C(C(N1CCCC1Cc2c3ccccc3oc2CCC(OCC)=O)=O)N	84
+CC(C)(C)OC(=O)NC(C(C)C)C(N1CC(N(CC1)C(=O)c2ccc(cc2)Cl)C(=O)O)=O	4
+CC(C)C(C(=O)OC1C(C#C)(C(OC1CO)n2c3c(cc2)c(N)ncn3)O)N	689
+C1C(CN1CC(NC)C(C)CC)O	352
+CC(C)(C)OC(NC(C)c1c(cc2c(F)cccc2n1)C(OCC)=O)=O	7306
+C1CCCCC1CC(N)C(CCC(C)C)O	12
+CC(C)(C)OC(NC(Cc1ccccc1)(C(CNC(=O)c2cc(nc(N(S(=O)(=O)C)C)c2)Cl)=O)C)=O	86
+CC(C)(C)OC(=O)NC(C(CN(C(OCc1ccccc1)=O)CC(C)C)O)Cc2ccccc2	66
+CC(C)(C)OC(NC(C(=O)N(c1ccc(cc1)OC)C)Cc2cccc(CO)c2)=O	41
+c1cc(ccc1CC(C(=O)N)N)S(=O)(=O)c2ccccc2	84
+CC(C)(C)OC(=O)NC(C(=O)N1C(CC)CN(CC1)C(Cc2ccc3ccccc3c2)C(NC)=O)Cc4ccc(cc4)Cl	9
+CC(C)(C)OC(=O)NC(C(N1CCN(CC1CC)C(Cc2cc3ccccc3cc2)C(=O)O)=O)Cc4ccc(cc4)Cl	4
+CC(C)(C)OC(NC(CC1CCCCC1)C(N)C)=O	18
+CC(C)(C)OC(=O)NC(C(NCCc1cc(c(OCC#Cc2ccc(cc2)Cl)cc1)OC)=O)C(C)C	7307
+CC(C)(C)OC(=O)NC(C(NCCc1cc(OC)c(O)cc1)=O)C(C)C	16
+CC(C)(C)OC(=O)NC(C1=Nc2cccc(c2C(=O)N1c3ccc(cc3)F)Cl)CC	2796
+CC(C)(C)OC(NC(C(=O)NCCc1ccc(c(OC)c1)OCc2cccc3ccccc23)C(CC)C)=O	9
+CC(C)(C)OC(=O)NC(C(Nc1cccc(Cl)c1C(Nc2ccc(cc2)F)=O)=O)CC	33
+CC(C)(C)OC(=O)NC(C(=O)Nc1cnc(nc1)Oc2ccc(c3c2C4(CC4)CO3)C)CC	1681
+CC(C)(C)OC(=O)NC(C(=O)N(C)OC)CCCC	164
+c1cc(ccc1)CN2CC(NC(CCCC)C2=O)=O	7308
+CC(C)(C)OC(=O)NC(C(=O)N)Cc1cnc(cc1)Br	83
+CC(C)(C)OC(NC(C(Nc1ncccc1C(=O)c2ccc(cc2)F)=O)c3sccc3)=O	142
+C1CCCN1C(=O)C(N)C(C)O	84
+CC(C)(C)OC(NC(CO)C(C)C)=O	95
+CC(C)(C)OC(NC(C(=O)O)CC=1CCCC=1)=O	4
+CC(C)(C)OC(NC(CO)C(=O)NCCN)=O	248
+CC(C)(C)OC(NC(C(O)=O)Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC)=O	4
+CC(C)(C)OC(=O)NC(C(OCc1ccccc1)=O)CCC(=O)Nc2cc(c(cc2NCCC)Cl)Cl	291
+CC(C)(C)OC(NC(C(=O)OCc1ccccc1)CCc2nc3c([nH]2)cc(C)c(C)c3)=O	791
+CC(C)(C)OC(=O)NC(C(=O)OCc1ccccc1)CCc2n(c3cc(c(Cl)cc3n2)Cl)CCC	1264
+CC(C)(C)OC(NC(C(O)=O)Cc1c2c(cccc2)n(c1)CC(OCC)=O)=O	210
+CC(C)(C)OC(=O)NC(CCCNC(OCc1ccccc1)=O)C(NC(C)(C)c2ccccc2)=O	7309
+CC(C)(C)OC(=O)NC(C)C(c1ccc(cc1)CC)O	74
+CC(C)(C)OC(NC(C(=O)c1ccccc1)CC)=O	3852
+C(C)C(C)(C(=O)Nc1ccc(nc1)Oc2c3c(OCC(C3)C)ccc2)N	84
+CC(C)(C)OC(=O)NC(C)(C)C(=NO)N	609
+CC(C)(C)OC(=O)NC(C)(C)c1noc(n1)C	2584
+CC(C)(C)OC(NC(C)(C)C=O)=O	378
+n1cc(cnc1Oc2cccc3OCC(C)(C)c23)NC(=O)C(C)(C)N	84
+CC(C)(c1nc(C)on1)N	12
+Fc1cccc(F)c1COc2n3c(c(C(NCC(CCC)(C)N)=O)c(C)n3)ccc2	12
+c1cc(ccc1)C#Cc2cc(cc(NC(=O)C(N)C)n2)Cl	84
+CC(C)(C)OC(=O)NC(c1n(C2CC2)c3c(Br)c(ccc3n1)F)C	1264
+c1cc(ccc1OC)CC(NC(=O)C(C)N)C(NC(CC2=CCCC2)C(=O)C3(CO3)C)=O	84
+C(c1cccc(OC)c1)(O)C(C)N	12
+c1cc(ccc1C(O)C(C)N)CC	12
+CC(C)(C)OC(=O)NC(C)C(O)c1cccc(c1)OC	74
+CC(C)(C)OC(=O)NC(C)Cn1c2c3c(ccc2cn1)OCC(CN=[N+]=[N-])O3	600
+CC(C)(C)OC(=O)NC(Cn1c2c(c(N)ncn2)c(-c3ccc(cc3F)Oc4ccccc4)n1)C	920
+CC(C)(C)OC(NC(C)c1c(c(c2c(ccc(c2)F)n1)-c3nnc(C)o3)-c4ncccc4)=O	877
+c1cc(-n2c3c(c(c2C(N)C)Cl)cccc3)cc(c1)F	12
+CC(C)(C)OC(=O)NC(c1cccc(c1)Oc2cc(Cl)ccc2N)C	0
+CC(C)(C)OC(=O)NC(C)c1c(c2c(cccc2)n1-c3cccc(F)c3)Cl	573
+FC(F)(F)c1[n+]([O-])cc(C(C)NC(=O)OC(C)(C)C)cc1	103
+C(C=1N=C2N(C(=O)C=1c3cc(F)ccc3)C(=CS2)C)(C)N	4120
+C1CC1N2C(c3c(N=C2C(CC)N)cccc3Cl)=O	12
+CC(C)(C)OC(=O)NC(C)C1=Nc2c(C(=O)N1c3cc(ccc3)C(N)=O)c(ccc2)Cl	1079
+c1cc(ccc1F)N2C(c3c(cccc3Cl)N=C2C(N)CC)=O	12
+CC(C)(C)OC(NC(C(CC(Cc1cccc(F)c1)C(O)=O)O)Cc2ccccc2)=O	1392
+CC(C)(C)OC(NC(Cc1ccccc1)C(CC(Cc2c(cc(cc2)OC)OC)C(=O)O)O)=O	1392
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccccc2)C3CC(Cc4ccc(cc4)OC)C(=O)O3	4121
+c1ccccc1COC(N2C(CC(CC2)C(CC)N)C(N)=O)=O	12
+CC(C)(C)OC(NC(C(O)CC(Cc1ccc(cc1)OC)C(O)=O)Cc2ccccc2)=O	1392
+CC(C)(C)OC(NC(CO)CCc1ccc(cc1)Br)=O	374
+CC(C)(C)OC(=O)NC(CC#CC)CNc1cccc(c1)Cl	291
+CC(C)(C)OC(=O)NC(CC#CC)C(O)=O	3
+CC(C)(C)OC(NC(C(=O)N(C)OC)CC#CC)=O	164
+CC(C)(C)OC(=O)N(C)C(CC#N)Cc1ccccc1	397
+c1cc(ccc1C(CC#N)N)-c2ccccc2	12
+CC(C)(C)OC(NC(c1ccc(cc1)Cl)CCN)=O	51
+c12c(CC(NC(CC(Cc3ccccc3F)N)=O)C(N1)=O)cccc2	12
+CC(C)(C)OC(NC(C=O)CC(C(C)C)Cc1cc2c(cccc2OCCOC)cc1)=O	24
+CC(C)(C)OC(=O)NC(C(O)C=C(CCOC1OCCCC1)CO)CC(C)C	4122
+CC(C)(C)OC(=O)NC(CC(C)C)C(C=C(C(O)=O)CCOC1CCCCO1)O	108
+CC(C)(C)OC(=O)NC(CC(C)C)C(N1C(CC)CCC1C(N)=O)=O	83
+CC(C)(C)OC(NC(C(O)=O)CC#N)=O	143
+CC(C)(C)OC(NC(c1ccccc1Cl)CCO)=O	21
+CC(C)(C)OC(=O)NC(CC)(CC)C(NC)=O	9
+C(C)C(CC)(N)C(NC)=O	84
+CC(C)(C)OC(NC(CN)CC)=O	18
+CC(C)(C)OC(=O)NC(CC)CN=[N+]=[N-]	133
+CC(C)(C)OC(NC(CO)CC=C(F)F)=O	95
+CC(C)(C)OC(=O)NC(c1nc(-c2n(ncc2N)C)ccc1)CC=C	209
+CC(C)(C)OC(=O)NC1c2nc(ccc2)-c3c(cnn3C)NC(C(C)C=CC1)=O	4123
+CC(C)(C)OC(NC(CCI)C(OC)=O)=O	1273
+CC(C)(C)OC(=O)NC(CCOc1ccc(cc1)CCCCNC(OCc2ccccc2)=O)C(=O)OC	8
+c1cc(ccc1CCC(N)(C)CCC(=O)O)OCCCCCCC	12
+CC(C)(C)OC(=O)NC(C(=O)N1C(CCC1)C#N)CCC(=O)OCC	143
+CC(C)(C)OC(=O)NC(CCC(OC)=O)COS(=O)(=O)c1ccc(cc1)C	36
+CC(C)(C)OC(=O)NC(CN=[N+]=[N-])CCC(OC)=O	254
+CC(C)(C)OC(NC(CCC=CC(OCC)=O)C(NC=1C(N(CC(=O)NCC(CC)CC)C=CC=1)=O)=O)=O	7310
+CC(C)(C)OC(NC(C(OC(C)(C)C)=O)CCCCNCC(CCl)O)=O	122
+CC(C)(C)OC(NC(CCCCNCc1ccccc1)C(OC(C)(C)C)=O)=O	42
+CC(C)(C)OC(=O)NC(CN)CCCCNC(=O)OC(C)(C)C	18
+CC(C)(C)OC(=O)NC(CCCCNC(=O)OC(C)(C)C)CN=[N+]=[N-]	133
+CC(C)(C)OC(NCCCCC(NC(OC(C)(C)C)=O)CO)=O	21
+CC(C)(C)OC(NC(C(=O)N)CCCCN)=O	102
+CC(C)(C)OC(=O)NC(C(=O)OC)CCCCNC(OCc1ccccc1)=O	325
+CC(C)(C)OC(NC(C(=O)N1C(C(=O)NCCCc2ccccc2)CCC1)CCCN)=O	102
+CC(C)(C)OC(=O)NC(CCCNC(=O)OCc1ccccc1)C(=O)N2C(C(NCCCc3ccccc3)=O)CCC2	2654
+CC(C)(C)OC(=O)NC(C(=O)N(OC)C)CCCNC(=O)OCc1ccccc1	164
+CC(C)(C)OC(=O)NC(C(Oc1c(cccc1)[N+]([O-])=O)=O)CCCNC(=O)OCc2ccccc2	7311
+c1(ncn(n1)-c2c(cc([N+]([O-])=O)cc2)OCCCC(C)N)C	12
+CC(C)(C)OC(NC(C(=O)OC)CCCc1nc[nH]c1)=O	27
+c1cc(ccc1S(=O)C2CN(C2)CCC(N)CO)Cl	12
+c1cc(ccc1Cl)C(CCNS(=O)(=O)C)N	12
+CC(C)(C)OC(=O)NC(CCOc1ccccc1)C(OC)=O	20
+CC(C)(C)OC(=O)NC(COC)CCI	343
+c1cccc2-c3ccccc3C(c12)COC(=O)NCC(CCOC)(CCOC)N	12
+CC(C)(C)OC(NC(c1cc(c(cc1)Cl)Cl)CCI)=O	572
+CC(C)(C)OC(NC(C(N)=O)CCOc1ccc(cc1)CCCCNC(OCc2ccccc2)=O)=O	327
+c1ccccc1OCCC(N)C(=O)OC	689
+CC(C)(C)OC(=O)NC1C(=O)N(c2ccc(cc2)OCc3ccccc3)CC1	7312
+CC(C)(C)OC(=O)NC(CCSC)C(Nc1ccc(cc1)OCc2ccccc2)=O	33
+CC(C)(C)OC(NC(CCc1ccc(cc1)Br)C(C)O)=O	684
+CC(C)(C)OC(NC(CCc1ccc(cc1)OCCCCCCC)(C=CC(=O)O)C)=O	108
+CC(C)(C)OC(NC(CCc1ccc(cc1)OCCCCc2ccccc2)(CO)CC)=O	59
+CC(C)(C)OC(=O)NC(C)CNc1nc(ccn1)-c2oc(nc2-c3c(F)c(NS(=O)(=O)C)cc(c3)Cl)C4CC4	306
+CC(C)(C)OC(=O)NC(CNCC(Cn1c2ccc(F)cc2c3c1ccc(F)c3)O)C	122
+CC(C)(C)OC(NC(CNC(=O)C1CC(CN1C(=O)OCc2ccccc2)O)CCCCNC(=O)OC(C)(C)C)=O	9
+CC(C)(C)OC(=O)NC(CNC(CNc1sc(cn1)CO)=O)C(=O)OC	4124
+CC(C)(C)OC(=O)NC(CCS(=O)(=O)C)CN(Cc1cc(ccc1)Cl)C(=O)OCc2ccccc2	66
+OCC(CO)(N)CN1CCc2cc(ccc12)OCc3oc4c(c(Cl)cc(Cl)c4)c3	12
+CC(C)(C)OC(NC(C(C)(C)c1ccccc1)CN2C(=O)c3c(C2=O)cccc3)=O	332
+CC(C)(C)OC(NC(CO[Si](C)(C)C(C)(C)C)CC=C)=O	19
+C1C(CN1CCC(N)CO)Oc2ccc(cc2)Cl	12
+c1cc(ccc1Cl)SC2CN(C2)CCC(N)CO	12
+CC(C)(C)OC(=O)N1C(Cc2ccc(c(Cl)c2)O)COC1(C)C	2797
+CC(C)(C)OC(N1C(C)(C)OCC1Cc2ccc(cc2)O)=O	2797
+CC(C)(C)OC(=O)NC(COS(=O)(=O)C)c1cc([N+]([O-])=O)ccc1	7
+c1cc(ccc1)CNC(=O)C(COC)N	84
+CC(C)(C)OC(NC(COC)CN)=O	18
+CC(C)C(COCc1ccccc1)N	12
+CC(C)(C)OC(=O)NC(COc1ccc(cc1C(C)(C)C(F)(F)F)Cl)C	262
+CC(C)(C)OC(NC(CC#N)C)=O	300
+CC(C)(C)OC(=O)NC(CSC)C	786
+CC(C)(C)OC(=O)NC(COc1ccc-2c(OCc3cnc(cc-23)NC(=O)C)c1F)CC(C)C	262
+CC(C)(C)OC(=O)NC(CC#N)Cc1ccccc1	677
+CC(C)(C)OC(=O)NC(COc1noc(c1)C(=O)O)C	1
+FC(F)(F)C(C)(C)c1cc(ccc1OCC(C)N)Cl	12
+CC(C)(C)OC(=O)NC(COc1cc(on1)C(=O)Nc2cc(ccc2O)O)C	768
+CC(C)(C)OC(NC(C(=O)OC)CSCc1ccc(cc1)-c2cc(ccc2)CN3c4cc(ccc4CCC3)C(F)(F)F)=O	7313
+C[Si](C)(C)CC(NC(O)=O)C(=O)NC1(CC1)C#N	7314
+CC(C)(C)OC(=O)NC(C(=O)NC1(C(O)=O)C(c2ccccc2)C1)Cc3c(F)ccs3	4
+CC(C)(C)OC(NC(Cc1c[nH]c2c1cccc2)C(=O)NC(C(=O)N(C(CCCC)C(N)=O)C)CC(C)C)=O	348
+c1c2c(c[nH]c2ccc1)CC(N)C(N)=O	84
+c1(C)cc(cc(C)c1)CC(C(NCC#N)=O)N	84
+CC(C)(C)OC(=O)NC(Cc1cc(F)cc(c1)F)c2c(ccc(n2)C#CC(C)(C)O)C=3C=CC=4N(C=3C)C(NN=4)=O	7315
+Fc1cc(cc(F)c1)CC(c2c(C3=C(N4C(C=C3)=NNC4=O)C)ccc(C#CC(C)(C)O)n2)N	12
+c1cc(ccc1)COc2cccc(CC(N)C(=O)OCC)c2	689
+CC(C)(C)OC(NC(C(CNCc1cc(ccc1)C(C)C)O)Cc2cccc(c2)CC=C)=O	122
+CC(C)(C)OC(NC(C(=O)OC)Cc1ncc(CCCc2ccc3cccnc3n2)cc1)=O	4078
+CC(C)(C)OC(=O)NC(c1[nH]nnn1)Cc2ccc(cc2)-c3cc(Cl)ccc3	2612
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)-c2cc(Cl)ccc2)C(=O)O	11
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)CF)c2nc3ccccc3[nH]2	442
+c1cc(ccc1CC(N)c2[nH]c3c(cccc3)n2)CF	12
+CC(C)(C)OC(NC(C(=O)N)Cc1ccc(cc1)I)=O	83
+c1cc(ccc1OC(C)C)CC(N)C(=O)N(C)C	84
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OC(C)C)C(=O)N(C)C	10
+CC(C)(C)OC(NC(Cc1ccc(cc1)OC)C(NC(CC=2CCCC=2)C(C3(CO3)C)=O)=O)=O	612
+CC(C)(C)OC(=O)NC(c1nc2ccccc2[nH]1)Cc3ccc(cc3)OC	442
+CC(C)(C)OC(=O)NC(C(=O)N(C)C)Cc1ccc(cc1)OCC#CC	10
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)c2[nH]nnn2	1104
+CC(C)(C)OC(NC(C(=O)N)Cc1ccc(cc1)OCC=C)=O	83
+CC(C)(C)OC(NC(C=O)Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC)=O	24
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccccc2)C(CC(Cc3ccc(cc3)OC)C(=O)O)O	1392
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)Oc2ccc(cc2)C(=O)NO)C(=O)N(C)C	514
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)Oc2ccc(cc2)C(O)=O)C(=O)N(C)C	500
+CC(C)(C)OC(NC(C(O)=O)Cc1ccc(cc1)S(=O)(=O)c2ccccc2)=O	4
+CC(C)(C)OC(=O)NC(Cc1cc(ccc1)OCCCOS(=O)(=O)C)C2OC(=O)N(Cc3cc(ccc3)C(C)C)C2	7
+CC(C)(C)OC(=O)NC(Cc1cc(OCc2ccccc2)ccc1)C(=O)OCC	22
+CC(C)(C)OC(=O)NC(Cc1ccccc1)(C)c2cnc(-c3cc(N(C)S(=O)(=O)C)nc(c3)NC(C)C4CC4C)o2	70
+CC(C)(C)OC(NC(C(CCl)O)Cc1ccccc1)=O	100
+CN(C)C(=O)C(Cc1ccccc1)N	84
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C=O	378
+CC(C)(C)CCNC(=O)C(CC(C(Cc1ccccc1)N)O)C	12
+CC(C)(C)OC(=O)NC(C(CNCC(C)C)O)Cc1ccccc1	122
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(CN(Cc2ccccc2)C)O	170
+CC(C)(C)OC(=O)NC(Cc1ccccc1)CNc2ccccc2	291
+C1CN(CCC1(Cc2ccc(cc2)C#N)C(OCC3CCCCC3)=O)C(=O)C(Cc4sccc4)N	84
+C(N)(C(=O)N)Cc1cccnc1	84
+CC(C)(C)OC(=O)NC(C(=O)OC)Cc1ccc(cn1)C#CCC(O)C	2379
+CC(C)(C)OC(=O)NC(Cc1ccc(CCCC(C)=O)cn1)C(=O)OC	86
+CC(C)(C)OC(=O)NC(Cc1c(F)ccs1)C(=O)NC2(C(OC)=O)CC2c3ccccc3	188
+c1ccccc1Oc2cc(c(-c3nn(CC(C)N)c4ncnc(N)c34)cc2)F	12
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)Cc1c(cc(cc1OC)C#N)OC	7316
+CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)Cc1ccccc1OCc2ccccc2	7317
+c1cc(ccc1-c2cc(Cl)ccc2)CC(c3[nH]nnn3)N	12
+CC(C)(C)OC(NC(c1c(c(C)ccc1)C)CC#Cc2cccc(C)c2)=O	121
+CC(C)(C)OC(=O)NC(CCOS(=O)(=O)C)c1ccc(c(Cl)c1)Cl	7
+CC(C)(C)OC(=O)NC(CO)c1cccc([N+]([O-])=O)c1	95
+CC(C)(C)OC(=O)NC(C)c1cc(Oc2cc(Cl)ccc2[N+](=O)[O-])ccc1	46
+c1cc(ccc1Cl)C(CC(OC)=O)N	12
+CC(C)(C)OC(=O)NC(c1cc(ccc1)O)C	5
+CC(C)(C)OC(=O)NC(C)c1cccc(Oc2c(NCCCC(=O)OCC)ccc(c2)Cl)c1	601
+CC(C)(C)OC(=O)NC(C)c1cccc(N)c1	0
+C(c1c(c(Cl)ccc1)Cl)(CCO)N	12
+CC(C)(C)OC(=O)NC(c1ccccc1)COc2ccc(N)c(N)c2	0
+C1CC1n2c(nc3c2c(Br)c(cc3)F)C(C)N	12
+C1COCCC1C(c2n(Cc3ccccc3)cc(-c4c(ccc(F)c4)F)n2)N	12
+c1cc(ccc1)CC(c2nccn2Cc3c(cccc3)OC)N	12
+c1cc(ccc1OC)CC(N)c2[nH]c3c(cccc3)n2	12
+c1(C(N)C)nc(C)no1	12
+FC(F)(F)c1ccc(cc1)-c2cc(nc(n2)C#CCC3(CCN(C)C3=O)N)C	84
+CC(C)(C)OC(NC1(C(=O)OC)CCCC1O[Si](C)(C)C(C)(C)C)=O	19
+C1CC1(S(=O)(=O)NC(=O)C2(CC2C=C)N)CCC	84
+CC(C)(C)OC(=O)NC1(C)CCCC1NC(=O)OC2CC(C)CCC2C(C)C	101
+CC(C)(C)OC(NC1(C(CCC1)NC(=O)c2c(-n3nccn3)cccc2)C)=O	14
+CC(C)(C)OC(=O)NC1(CC1CC)C(NS(=O)(=O)OC2(CC2)C)=O	344
+NC1(C(OC(C)=O)CCC1)CNc2ccc(C#N)c(Cl)c2C	12
+CC(C)(C)OC(=O)NC1(C(=O)OC)C(CCC1)O	118
+FC(F)(F)c1ccc(cc1)-c2ccnc(n2)C#CCC3(CCN(C)C3=O)N	84
+CC(C)(C)OC(NC1(CC(C1)=O)C2CC(=O)N(C2)Cc3ccccc3)=O	86
+CC(C)(C)OC(NC1(CC(C1)OCc2ccccc2)C3CNC(=O)C3)=O	1980
+CC(C)(C)OC(NC1(CC(F)(F)C1)c2onc(-c3ccc(c(NC(=O)c4n5ccccc5nc4)c3)C)n2)=O	859
+C1CC1(C(NCc2ccc(cc2)-n3c4c(c(Cl)c3-c5noc(n5)C)cccc4)=O)N	84
+c1cc(ccc1C2(CC2)N)-c3c(-c4ccccc4)nc-5n3-c6c(Nc7ccccc-57)nccc6	12
+CC(C)(C)[Si](C)(C)OCC1c2c3c(ncnc3sc2CC1)OC4CCC(CC4)(NC(OC(C)(C)C)=O)C	7318
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2ncnc3c2c4C(CCc4s3)CC#N)C	300
+CC(C)(C)OC(=O)N(C1(CCC(CC1)Oc2ncnc3c2c4C(CCc4s3)CC#N)C)C	397
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2ncnc3sc4CCC(CC(=O)N)c4c23)C	527
+C1CC(CCC1Oc2ncnc3sc4CCC(CC(=O)N)c4c23)(N)C	12
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2c3c4c(CCC4COS(=O)(=O)C)sc3ncn2)C	7
+CC(C)(C)OC(=O)NC1(CCC1)CCN2CC(C2)Oc3ccc(cc3)Cl	15
+C1N(CC1Oc2ccc(cc2)Cl)CCC3(CCC3)N	12
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(c4C(=O)N(C(S(=O)(=O)C)=Nc4o3)C)-c5ccccc5	7319
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3nc4ccc(C(=O)O)nn4c3-c5ccccc5	6
+c1ccccc1-c2n3nc(ccc3nc2-c4ccc(cc4)C5(CCC5)N)C(=O)OCC	12
+c1cc(ccc1)-c2c(nc3n2nc(Cl)c(C)c3C)-c4ccc(cc4)C5(CCC5)N	12
+c1cc(ccc1-c2nc3c(c(c(nn3c2-c4ccccc4)SC)C)C)C5(CCC5)N	12
+FC(F)(F)Cc1nnc2n1-c3c(nc(-c4ccc(cc4)C5(CCC5)NC(=O)OC(C)(C)C)c(-c6ccccc6)c3)OC2	7320
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(n4nc(ccc4n3)C(=O)OC)-c5ccccc5	272
+c1ccccc1-c2cn3c(nc2-c4ccc(cc4)C5(CCC5)N)c6c(ccc(F)c6)n3	12
+C1CCC1(c2ccc(cc2)-c3oc4NC(N(C)C(=O)c4c3-c5ccccc5)=NCCOC)N	12
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(n4c(c(C)c(C)c(Cl)n4)n3)-c5ccccc5	2413
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(n4nc(c(c(c4n3)C)C)SC)-c5ccccc5	2413
+CC(C)(C)OC(=O)NC1(C(CCC1)N)C	7321
+CC(C)(C)OC(=O)NC1(CCCCC1)CNc2c3ccccc3ncc2N	13
+CC(C)(C)OC(NC1(CN(CCC1)c2c3c(ncc2N)CCC3)C)=O	13
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2cccnc2N)C	161
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(NC(c4ccc(cc4)Cl)CC(=O)O)=O	4
+CC(C)(C)OC(NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(=O)NC(CCO)c4ccc(cc4)Cl)=O	21
+O=S(=O)(C)c1cnc(N2CCC(CC2)(C)N)cc1	12
+FC(F)(F)c1c(-c2nc(C(Nc3ncccc3N4CCC(CC4)(NC(=O)OC(C)(C)C)C)=O)c(nc2)N)nccc1OC	2683
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2cccnc2NC(=O)c3c(N)ncc(-c4ncccc4F)n3)C	2683
+C1CN(CCC1(C)N)c2c(NC(=O)c3c(N)ncc(-c4ncccc4F)n3)nccc2	12
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(C(=O)N)Cc2ccc(cc2)I)=O	207
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc(C)c(cc3)C#N)=O	143
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc(F)c(cc3)F)=O	143
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc4c(OC(N4CCCOC)=O)cc3)=O	143
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3ccc4c(N(C(CO4)=O)C)c3)=O	143
+CC(C)(C)OC(=O)NC1(COC(C)(C)OC1)CN2CCc3cc(ccc23)OCc4oc5c(c(Cl)cc(Cl)c5)c4	7322
+CC(C)(C)OC(=O)NC(CO)(CO)CN1c2c(cc(cc2)OCc3oc4c(c(Cl)cc(Cl)c4)c3)CC1	1192
+CC(C)(C)OC(NC1(COC(C)(C)OC1)c2oc3ccc(cc3c2)-c4nc(on4)-c5cc(Cl)c(cc5)OCCC)=O	1246
+CC(C)(C)OC(=O)NC12CC3CC1CC(C2)(C3)CN4C(c5c(cccc5)C4=O)=O	332
+CC(C)(C)OC(=O)NC12C3CC(C1)CC(CO)(C3)C2	118
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)(OS(=O)(=O)C)C2)=O	7
+CC(C)(C)OC(=O)NC12CC3CC(C1)OC(C(C2)C3)=O	4125
+c12c(C(=O)N(C1=O)CC34CC5(CC(CC5C3)C4)N)cccc2	12
+FC(F)C1(COCC(=N1)N)c2c(F)c(F)cc(c2)NC(=O)c3ncc(C#N)cc3C	4118
+c1cc(ccc1)C2N(C(=O)C(CCC2)N)CC3CC3	84
+C1CCN(CC(OC)=O)C(=O)C(N)C1	84
+CC(C)(C)OC(=O)NC1C(=O)N(Cc2ccc(cc2)-c3ccccc3CN)c4c(cccc4)CC1	107
+CC(C)(C)OC(=O)NC1C(N(c2ccc(cc2)O)CC1)=O	16
+CC(C)(C)OC(=O)NC1C(=O)N(Cc2ccc(cc2)-c3c(C#N)cccc3)c4c(cccc4)CC1	1126
+CC(C)(C)OC(=O)NC1COC(=O)C(CC)C(C(C)OC1=O)OC(=O)C(C)C	7323
+CC(C)(C)OC(=O)NC1COC(=O)C(C(OC(C(C)C)=O)C(OC1=O)C)CCOS(=O)(=O)C	7
+CC(C)(C)OC(NC1CN(CC(C2CC2)C1O)c3c4CCCc4ncc3[N+]([O-])=O)=O	264
+CC(C)(C)OC(=O)NC1CC(=C)CC1C(O)=O	4
+CC1(C)C(CC1N)C(NCCC(=O)OC)=O	12
+CC(C)(C)OC(=O)NC1C(CC(O)C1)C(OC)=O	167
+CC(C)(C)OC(NC1CC(Oc2cc(nc3cc(OC)ccc23)-c4ccccc4)CC1C(=O)O)=O	260
+O=S(=O)(c1cc(Nc2c3c(CNC3=O)cc(NC4C(N)CCC4)n2)ccc1)C	12
+O(C(=O)C1CCCCC1N)C	12
+N#CCC1CCCCC1N	12
+Clc1c(nc(c2c1CNC2=O)-c3cn(C)nc3)NC4CCCCC4N	12
+n1cccnc1-c2cc(ccc2)Nc3c(C#N)ncc(n3)NC4CCCCC4N	12
+CC(C)(C)OC(NC1CCCCC1OS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)NC1C(CCNC1)N2C(c3ccccc3C2=O)=O	62
+CC(C)(C)OC(=O)NC1CN(CCC1N2C(c3c(cccc3)C2=O)=O)C(=O)C	58
+CC(C)(C)OC(NC1CN(CC1O[Si](C)(C)C(C)(C)C)Cc2ccccc2)=O	19
+CC(C)(C)OC(NC1C(CNCC1)OC)=O	62
+CC(C)(C)OC(=O)N(C1C(F)CN(C1)C(OCc2ccccc2)=O)C	397
+C1CC(CCC1)C(N2CC(C(N(CC(=O)c3ccccc3C)c4cc(C)ccc24)=O)N)=O	84
+CC(C)(C)C(N1c2ccccc2N(C(C(N)C1)=O)CC(c3ccccc3C)=O)=O	84
+CC(C)(C)OC(=O)NC1C(=O)N(c2ccc(cc2)OCc3c(cccc3F)F)CC1	22
+CC(C)(C)OC(NC1C(=O)N(C)c2ccccc2N(C1)C(=O)c3ccccc3)=O	448
+FC(F)(F)c1cc(c(C(=O)NC2CCCC2NC(OC(C)(C)C)=O)c(SC)c1)OC	14
+CC(C)(C)OC(=O)NC1CCCC1Nc2ncc(nc2)C(F)(F)F	464
+CC(C)(C)OC(=O)NC1C(Nc2nc(c(c(c2)C#N)C(OC)=O)Nc3cc(ccc3)S(=O)(=O)C)CCC1	70
+CC(C)(C)OC(=O)NC1CCSC2N(C(C(=O)O)CCC2)C1=O	4
+CC(C)(C)OC(NC1CCN(Cc2ccc3ccnc(Cl)c3c2)C1=O)=O	806
+CC(C)(C)OC(NC1C(=O)N(c2c(ccc(F)c2)OC1)C)=O	239
+Cc1cc(cc(C)c1)Nc2cc(NC3CCCCC3N)nnc2C(N)=O	12
+CC(C)(C)OC(=O)NC1CCS(=O)(=O)CC1Nc2cnc(C#N)c(Nc3cc(OC)cc(C)n3)c2	2645
+CC(C)(C)OC(=O)NC1CCCCC1Nc2cc3c(C(=O)NC3)c(n2)-c4cnn(C)c4	2798
+CC(C)(C)OC(=O)NC1C(CCC1)Nc2cc3CNC(c3c(Nc4cccc(S(=O)(=O)C)c4)n2)=O	2798
+CC(C)(C)OC(NC1CNCCC1O)=O	62
+CC(C)(C)OC(=O)NC1C(CCN(C(=O)OCc2ccccc2)C1)N3C(=O)c4ccccc4C3=O	1579
+C(N1C(=O)C=Nc2ccc(OC)cc12)CN3CCC(N)C(C3)OC	12
+C(N1C(=O)C=Cc2ccc(C#N)cc12)CN3CCC(N)C(C3)OC	12
+CC(C)(C)OC(=O)NC1C(OC)CN(CC1)CCN2C(C=Cc3c2cc(cc3)C#N)=O	160
+c1c2CC(OC)C(N)c2ccc1	12
+CC(C)(C)OC(=O)NC1C2(CC2)CN(C1)c3c(cc(c(F)c3OC)C(O)=O)F	6
+CC(C)(C)OC(NC1C2C1CN(C2)C(c3ccc(cc3)NC(c4ccc(cc4)F)=O)=O)=O	30
+c1cc(ccc1NC(=O)C2CC(CC2N)=C)Cl	12
+CC(C)(C)OC(=O)NC1CC(CC1C(=O)O)=O	7324
+CC(C)(C)OC(=O)NC1CC(=C)CC1C(Nc2ccc(cc2)Cl)=O	33
+c1(cc2NC(=O)COc2cc1)N3CC(N)CC3=O	12
+C1CN(CCO1)C(=O)C2CC(C2(C)C)N	12
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(=O)C3(CC(CC3)NC(=O)OC(C)(C)C)C(C)C	10
+CC(C)(C)OC(=O)NC1CCC(C(N2Cc3cc(C(F)(F)F)ccc3CC2)=O)(C(C)C)C1	10
+CC(C)(C)OC(=O)NC1CN(CC(C)C1)c2ccncc2[N+](=O)[O-]	264
+CC(C)(C)OC(NC1CC(C1)CN=[N+]=[N-])=O	133
+CC(C)(C)OC(=O)NC1CC(c2c(cncc2)NC(=O)c3ccc(c(Br)n3)F)CC(C)C1OC(=O)C	510
+CC(C)(C)OC(=O)NC1CC(CC(c2c(cncc2)NC(=O)c3nc(c(F)cc3)-c4c(F)cc(cc4F)C=C)C1)C	443
+CC(C)(C)OC(=O)NC1CC(CC(c2c(cncc2)NC(=O)c3nc(-c4c(cc(cc4F)CC)F)c(F)cc3)C1)C	1393
+CC(C)(C)OC(=O)NC1CCC(C(=O)N)C1	327
+CC(C)(C)OC(=O)NC1CC(CC1)COS(=O)(=O)c2ccc(cc2)C	36
+CC(C)(C)OC(=O)NC1CC(CC1)n2c3c4ccn(c4ncc3nn2)S(=O)(=O)c5ccccc5	7325
+c1ccccc1-c2nc(C3CCC(N)C3)on2	12
+c1cc(ccc1)S(=O)(=O)n2ccc3c2ncc4nnn(C5CC(CC5)N)c34	12
+CC(C)(C)OC(=O)NC1C(CC(C1)O)C(=O)O	100
+CC(C)(C)OC(NC1CCCC(NC(c2ccc(nc2)-c3cccc(F)c3)=O)C1)=O	56
+CC(C)(C)OC(=O)NC1CC(CCC1)Nc2nc(ncc2F)-c3cn(c4ncc(cc34)F)S(=O)(=O)c5ccc(cc5)C	4126
+c1cc(ccc1C)S(=O)(=O)n2cc(c3cc(cnc23)F)-c4nc(c(F)cn4)NC5CCCC(N)C5	12
+C1CN(CCO1)CC2CC(N)CC2	12
+CC(C)(C)OC(=O)NC1CC(N(C1)C(=O)CN(C(=O)OC(C)(C)C)C)C(=O)O	4
+c1ccccc1COC(NC2C(=O)N(C3C(CC(N)CC3)NC(C)=O)CC2)=O	12
+CC(C)(C)OC(=O)NC1CC(CC1)Nc2c(N)cnc3n(S(=O)(=O)c4ccccc4)ccc23	13
+CC(C)(C)OC(NC1CC(OC)C(CC1)CO)=O	95
+FC(F)(c1ccccc1)c2nc(on2)C3CC(N)CC3	12
+CC(C)(C)OC(NC1CC(O)CC1)=O	100
+CC(C)(C)OC(=O)NC1CCC(C(Nc2cc(ccn2)-c3ccc(cc3OC)F)=O)C1	1153
+FC(F)(F)c1cc2c(cc1)CCN(C(C3(CC(CC3)N)C(C)C)=O)C2	12
+n1ccc(-c2ccc(cc2OC)F)cc1NC(=O)C3CC(N)CC3	12
+CC(C)(C)OC(NC1CCC(C)NCC1O)=O	62
+O=S(=O)(N1CC(C(CCC1C)N)O)c2ncccc2	12
+CC(C)(C)OC(=O)NC1COC(CCO)CC1	21
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2cc(Br)cc(C(OC)=O)c2C	231
+CC(C)(C)OC(=O)NC1CCC(CC1)C(N(OC)C)=O	164
+CC(C)(C)OC(=O)NC1CCC(CC1)COC	21
+CC(C)(C)OC(N(C1CCC(CC1)C(=O)N(OC)C)C)=O	397
+CC(C)(C)OC(NC1CCC(CC1)CNc2ccccc2)=O	291
+C1CC(CCN1C(CCC2CCC(CC2)N)=O)Cc3c(ccc(OC)c3)Br	12
+C1CC(CCC1N)CCCCCBr	12
+C1CN(CCC1C(=O)c2cc(Cl)ccc2Cl)CCC3CCC(CC3)N	12
+C1CC(CCC1CNC(OCc2ccccc2)=O)N	12
+CC(C)(C)OC(=O)NC1CCC(CC1)C=O	24
+CC(C)(C)OC(=O)NC1CCC(CC1)CO	88
+CC(C)(C)OC(NC1CCC(CC1)NC(=O)c2cc(c(cc2)F)F)=O	14
+CC(C)(C)OC(NC1CCC(CC1)NC(c2cnc(-c3cccc(F)c3)cc2)=O)=O	56
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cc(-c3ccc(cc3)O)cc(c2C)C(OC)=O)CCC	11
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2c(c(C(=O)NCc3c(cc(C)nc3OC)CCC=C)ccc2)CC=C)CC	14
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cccc(C(O)=O)c2CC=C)CC	1
+CC(C)(C)OC(N(C1CCC(CC1)N2CCCC2)C)=O	397
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2ncnc3sc4CCC(CC(CC)O)c4c23	3670
+C1CC(CCC1N)Nc2c3ncc(n3ccn2)-c4ccnc(NCc5ccccc5)n4	12
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2c3ncc(-c4nc(ncc4)S(=O)C)n3ccn2	172
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2c3n(c(cn3)-c4nc(NCc5ccccc5)ncc4)ccn2	306
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cc(cc(c2C)C(=O)OC)Br)CCC	713
+C1CC(CCC1Nc2ncc3c([nH]nc3-c4nc(NCc5ccc(cc5)Cl)ncc4)n2)N	12
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2ncc3c(n2)n[nH]c3-c4nc(ncc4)S(C)=O	172
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2nc3[nH]nc(-c4nc(ncc4)NCc5ccc(cc5)Cl)c3cn2	306
+C1CC(CCC1N)Nc2ncnc3c2c4C(CCc4s3)CC(O)CC	12
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2c3c(sc4c3C(CC=O)CC4)ncn2	24
+CC(C)(C)OC(=O)NC1CCC(CC1)OC(=O)n2cncc2	7326
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC#N	143
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC(=O)N	83
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC(=O)O	3
+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(c2)Nc3nc4c(cn3)ncn4-c5ccc(cc5)OCC	4127
+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(Nc3nc(Nc4ccc(cc4)OCC)c(cn3)N)c2	193
+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(Nc3nc(c([N+](=O)[O-])cn3)Nc4ccc(cc4)OCC)c2	486
+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(c2)N	209
+CC(C)(C)OC(NC1CC(CCC)C(CC1)N2CCC(N)C2=O)=O	334
+c1ccccc1COC(=O)NC2C(N(CC2)C3CCC(CC3CCC)N)=O	12
+c1c2c(ccc1OC)c(cc(n2)NC3CCC(N)C3)C	12
+FC(F)n1ncc2NC(=O)C(CCCC(c3cc(ncc3)-c12)N)C	12
+CC(C)(C)OC(NC1CCCC1(O)C)=O	2799
+CC(C)(C)OC(=O)NC1CCCC1C=C	2800
+c1cc(ccc1CN2CC3(CCC2)CCCCC3N)F	12
+C1C(CN1CC2CCCCC2N)Oc3ccc(cc3)Cl	12
+c1cc(ccc1C)S(=O)(=O)n2cc(c3cc(Cl)cnc23)-c4ncc(c(n4)NCC5CCCCC5N)F	12
+CC(C)(C)OC(NC1C(CCCC1)C=O)=O	24
+CC(C)(C)OC(NC1C(CCCC1)COS(=O)(=O)C)=O	7
+C1c2cc(NC3CCCCC3N)nc(-c4cn(C)nc4)c2C(N1)=O	12
+CC(C)(C)OC(=O)NC1C(CCCC1)Nc2c(Cl)c3CNC(=O)c3c(-c4cnn(C)c4)n2	395
+c1ccc(nc1Nc2c(nnc(NC3CCCCC3N)c2)C(N)=O)OCC	12
+CC(C)(O)c1nc(Nc2c(nnc(c2)NC3CCCCC3N)C(=O)N)ccc1	12
+CC(C)(C)OC(NC1CCCN(c2n(c3C(=O)N(C)C(N(C)c3c2C(O)C)=O)Cc4ccccc4Cl)C1)=O	2129
+CCCC(=O)Nc1c2c([nH]c1)ncc(Cl)c2N3CC(CCC3)N	12
+CC(C)(C)OC(=O)NC1CN(c2c(cnc3CCCc23)NC(c4nc(sc4)-c5c(cccc5F)F)=O)CCC1	7327
+CC(C)(C)OC(=O)NC1CCCN(c2ccc(Nc3c(cnc4ccc(nc34)-c5cc(c(c(F)c5)O)Cl)C(C)=O)cn2)C1	1592
+c1cc(ccc1C(N2CCOCC2)=O)Nc3nc(N4CCCC(N)C4)ccc3C(=O)N	12
+c1cc(ccc1Nc2nc(N3CCCC(N)C3)ccc2C(=O)N)N(CC)CC	12
+CC(C)(C)OC(NC1C(C)N(C(=O)CNc2c3c(ncn2)cc(Cl)c(Cl)c3)CC1)=O	2801
+CC(C)(C)OC(=O)NC1CCN(C(=O)CN)C1C	334
+c1ccccc1-c2ccccc2NC(OC3CCN(CC3)CC(=O)N4CCC(N)C4)=O	12
+c1cccc(-c2nc(c3c(n2)cc(C)cc3)N4CC(N)CC4)c1O	12
+CC(C)OC(c1c(nccc1)N2CCC(N)C2)=O	12
+CC(C)(C)OC(N(C1CN(CC1)c2c(cccn2)C(OC(C)C)=O)CC)=O	2802
+CC(C)(C)OC(=O)N(C)C1CN(c2ncccc2C(OC(C)C)=O)CC1	397
+C1CC(CCN1C(=O)OCc2ccccc2)N3C(C(N)CC3)=O	84
+c1cc(ccc1)CC(F)(F)C(=O)N2CCC(CC2)N	12
+Clc1cc(cc(Cl)c1)COC(N2CCC(CC2)N)=O	12
+CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC(c3cc(c(C#N)cc3)F)=CC(=O)N2CC	7328
+C1CN(CCC1N)C2=NC(c3cc(c(C#N)cc3)F)=CC(=O)N2CC	12
+C1CC(CCO1)N2CCC(CC2)N	12
+C1CN(CCC1N)CC2(O)c3c(Cl)cnc4C=CC(=O)N(c34)C2	12
+C1CC(CCN1CCN2C(=O)C=Nc3ccc(cc23)OC)N	12
+C1CC(CCN1CCN2c3cc(OC)cnc3C=CC2=O)N	12
+C1CC(CCN1CCO)N	12
+CC(C)(C)OC(=O)NC1CCN(CC1)CCOc2nc3c(ccc(OC)c3)nc2	1534
+C1CN(CCC1N)CCOc2nc3c(ccc(OC)c3)nc2	12
+C1CC(CCN1CCSc2cnc3c(cc(cc3)OC)c2)N	12
+C1CN(CCC1N)CCSc2nc3cc(ccc3nc2)OC	12
+C1CC(CCN1Cc2cc(c(Cl)cc2)OCC)N	12
+C1CC(CCN1Cc2ccc(OC)c(OCC)c2)N	12
+C1CC(CCN1Cc2ccc3c(OCCO3)c2)N	12
+C1CN(CCC1)C(c2ccc(cc2)S(=O)(=O)N3CCC(CC3)N)=O	12
+O=S(=O)(N1CCC(CC1)N)c2ccc(cc2)N(C)C(C3CCOCC3)=O	12
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)N	0
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)N2CCC(CC2)N	12
+c1cc(ccc1Br)N2CCC(CC2)N	12
+C1CN(CCC1N)c2cc(c(F)cn2)-c3nc4ccccc4n3C	12
+C1CN(CCC1N)c2ccc(C#N)cn2	12
+C1CN(CCC1N)c2c3ccccc3c(nn2)-c4ccnn4C	12
+CC(C)(C)OC(=O)NC1CCN(CC1)c2nnc(-c3ccnn3C)c4ccccc24	7329
+CC(C)(C)OC(=O)NC1CCN(C1)c2ccc(C(O)=O)c(NC3CC3)c2F	6
+CC(C)(C)OC(=O)NC1CCN(CC1)C(OCc2cc(Cl)cc(Cl)c2)=O	7330
+CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC(Cl)=CC(=O)N2CC	2803
+CC(C)(C)OC(=O)NC1CCN(CC1)CC2CN3C=4N2C(=O)C=CC=4N=CC3=O	123
+CC(C)(C)OC(NC1CCN(CC1)c2c3cc(F)ccc3nc(-c4c(cccc4)O)n2)=O	54
+CC(C)(C)OC(=O)NC1CCN(CC1)Cc2cc(c(Cl)cc2)OCC	48
+CC(C)(C)OC(=O)NC1CCN(CC1)Cc2ccc(OC)c(OCC)c2	48
+CC(C)(C)OC(=O)NC1CCN(CC1)Cc2ccc3c(OCCO3)c2	48
+CC(C)(C)OC(=O)NC1CCN(CC1)CCN2c3cc(OC)cnc3C=CC2=O	61
+CC(C)(C)OC(=O)NC1CCN(CC1)c2ccc(cc2)Br	560
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(O)=O	92
+CC(C)(C)OC(=O)NC1CCN(CC1)CC2(O)c3c(Cl)cnc4C=CC(=O)N(c34)C2	236
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)[N+]([O-])=O	92
+CC(C)(C)OC(=O)NC1CCN(CC1)c2ncc(cc2)C#N	43
+CC(C)(C)OC(=O)NC1CCN(CC1)c2ncc(c(c2)-c3nc4ccccc4n3C)F	323
+CC(C)(C)OC(=O)NC1CCN(CC1)CCc2c3c(ncc2)ccc(C#N)c3	7331
+CC(C)(C)OC(NC1CCCN(CC1)CCN(C)C)=O	236
+CC(C)(C)OC(NC1CCOCC1COc2c(F)cc(cc2)-c3ncc(cc3)Cl)=O	20
+CC(C)(C)OC(=O)NC1CCOCC1COc2ccc(cc2)-c3ccc(C#N)cn3	20
+O=S1(=O)CCC(N)C(Nc2cc(c(nc2)C#N)Nc3cc(OC)cc(C)n3)C1	12
+CC(C)(C)OC(=O)NC1CCSC2N(C(CCC2)C(NCCC)=O)C1=O	9
+CC(C)(C)OC(NC1c2cccc(C(NO)=N)c2CC1)=O	181
+CC(C)CC(N1CCC(N)C1)C(Nc2cc(c(cc2)-c3ocnc3)OC)=O	12
+CC(C)(C)OC(=O)NC1CCN(C(CN2CCC(CC2)OC(=O)Nc3ccccc3-c4ccccc4)=O)C1	589
+CC(C)(C)OC(=O)NC1CN(CC(C1)C)c2ccncc2N	13
+CC(C)(C)OC(=O)NC1CN(c2ccncc2NC(c3nc4c(csc4cc3)Br)=O)CC(C)C1	510
+CC(C)(C)OC(=O)NC1CN(c2c(NC(=O)c3ccc4cc(oc4n3)C5CC5C)cncc2)CC(C)C1	510
+CC(C)(C)OC(=O)NC1CN(CC1)C(CN(c2ccc(cc2)Oc3ccccc3)C(=O)C=Cc4ccccc4)=O	472
+c1ccccc1C=CC(=O)N(CC(=O)N2CCC(N)C2)c3ccc(cc3)Oc4ccccc4	12
+c1cc(ccc1)COC(N2CC(N)CC2)=O	12
+O=S(=O)(c1c(C)c(Cl)ccc1)N2CC(N)CCC2	12
+CC(C)(C)OC(=O)NC1CCCN(C1)c2n(c3C(N(C(N(C)c3c2C=O)=O)C)=O)Cc4ccccc4Cl	287
+CC(C)(C)OC(NC1CN(CCC1N)C(C)=O)=O	45
+c1c(F)c(c(cc1)F)-c2nc(C(=O)Nc3cnc4CCCc4c3N5CC(N)CCC5)cs2	12
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(ncc2N)CCC3)C1	13
+C1C(CC1)n2c3nc(C(=O)Nc4c(ccnc4)N5CC(CC(C5)C)N)ccc3cc2	12
+CC(C)(C)OC(=O)NC1CN(c2c3c(OCC3)ncc2N)CC(C1(C)O)C	13
+C1C(N)CN(c2cc(ccc2)OCC(OC)=O)CC1	12
+CC(C)(C)OC(=O)NC1CCCN(c2cc(O)ccc2)C1	16
+C1C(N)CN(c2nc3c(ncnc3cc2)N)CC1	12
+CC(C)(C)OC(NC1C(CC)N(c2nc(C)c(s2)C(=O)OCC)C1)=O	641
+CC(C)(C)OC(=O)NC1C2(CC2)CN(c3c(c(c(C(OCC)=O)cc3F)F)OC)C1	34
+CC(C)(C)OC(=O)NC1C(=O)OC(C)C(C(CCI)C(=O)OC1)OC(C(C)C)=O	572
+CC(C)(C)OC(=O)NC1C(=O)OC(C)C(C(CCO)C(=O)OC1)OC(C(C)C)=O	21
+CC(C)(C)OC(=O)NC1CCC(CC(=O)O)OC1	4
+CC(C)(C)OC(=O)NC1COC(CC1)CC=O	24
+CC(C)(C)OC(NC1C(O)C(Cc2cc(F)c(c(F)c2)[N+]([O-])=O)CSC1)=O	100
+CC(C)(C)OC(NC1Cc2ccc(cc2C1)Oc3ncc(C(=O)N)cc3)=O	136
+CC(C)(C)OC(=O)NC1Cc2cc(ccc2C1)C#N	160
+C1CC1C2C(C)C(N)c3cc(Br)ccc3N2C(C)=O	12
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3cccc4c3CCC4N)cc1	12
+CC(C)(C)OC(=O)NC1c2ccccc2C(CC1)OCc3ccnc(c3)N	149
+C(Nc1nccc(c1)COC2CCC(N)c3ccccc23)(COC)=O	12
+CC(C)(C)OC(=O)NC=1COCC(c2cc(cc(c2F)F)N)(N=1)C(F)F	0
+CC(C)(C)OC(=O)NC1=NC(c2c(c(F)cc(c2)NC(=O)c3ncc(C#N)cc3C)F)(COC1)C(F)F	187
+CC(C)(C)OC(NCC#CC=1c2nc(Nc3ccc(cc3)N4CCOCC4)ncc2C(N(c5c(cccc5Cl)Cl)C=1)=O)=O	1334
+CC(C)(C)OC(NCCCc1c(nc(nc1NCCCCC)N)C)=O	2065
+C1(c2c(cccc2)CN(C1)C(=O)CN)OC	84
+C1CN(CCN1C(CN)=O)C(CN2C(c3c(cccc3)S2)=O)=O	84
+CC(C)(C)OC(NCC(=O)NC(C(=O)NC)Cc1ccccc1)=O	9
+CC(C)(C)OC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O	4
+CC(C)(C)OC(=O)NCC(Nc1cc(c(C=O)cc1)Cl)=O	39
+CC(C)(C)OC(=O)NCC(C=O)C	378
+c1cc(ccc1COC(c2c(C)cc(cc2)C)=O)C(C(Nc3cc(c(C(=O)N)cc3)F)=O)CN	12
+NCC(C(Oc1c2nc(-c3n4ccccc4nn3)ccc2ccc1)CC)CC	12
+CC(C)(C)OC(NCC(C)(C)CNS(=O)(=O)c1cccc2c1ccnc2)=O	71
+CC(C)(C)OC(=O)NCC(C)(C)COc1c2nc(ccc2ccc1)-c3nnc4cc(C)ccn34	1920
+CC(C)(C)OC(NCC(C)(C)NS(=O)(=O)C)=O	2804
+CC(C)(C)OC(=O)NCC(C)(C)NC(=O)c1ccc2c(nccc2-c3c(-c4cccc(n4)C)nn5CCCc35)c1	14
+c1cc(ccn1)-c2c(nc(C(C)(C)CN)[nH]2)-c3ccc(Cl)c(OC)c3	12
+CC(C)(C)OC(=O)NCC(C(N(C)OC)=O)C	164
+CC(C)(C)OC(NCC(C)NC(=O)c1ccccc1O)=O	14
+CC(C)(C)OC(NCC(C)OCCOC)=O	76
+CC(C)(C)OC(=O)NCC(C)c1c([nH]c2ccc(C(C)(C)C(=O)O)cc12)-c3cc(C)cc(C)c3	3
+c1cc(ccc1C(CN)C)C#Cc2ccc(cc2)OCCC	12
+CC(C)(C)OC(NCC(C1CC1)N(C(=O)c2c(sc(C)n2)-c3ccccc3)C)=O	837
+CC(C)(C)OC(NCC(N)C1CC1)=O	7332
+CC(C)(C)OC(NCC(CNC(C(=O)OC)C)C)=O	1315
+CC(C)(C)OC(NCC(CN1CCC(CC1)Oc2ccc(cc2)F)NC(OCc3ccccc3)=O)=O	183
+c1cc(ccc1F)OC2CCN(CC2)CC(CN)NC(C=Cc3c(ccc(c3)C#N)OC)=O	12
+CC(C)(C)OC(=O)NCC1COCc2nc3c(c4ccccc4nc3)n12	2130
+CC(C)(C)OC(=O)NCC(COCC)N	45
+CC(C)(C)OC(NCC(N1CCC(CC1)(C(NCc2ncccc2C)=O)COC(Nc3ccc(cc3)CC)=O)=O)=O	589
+CC(C)(C)OC(=O)NCC(N1CCC(CC1)(C(=O)NCc2c(cccn2)C)CO)=O	9
+CC(C)(C)OC(=O)NCC(N1CCC(CC1)(C(=O)O)CO)=O	4
+FC(F)(F)c1ccccc1C(N2CCN(CC2)C(=O)CN)=O	84
+n1cc(cnc1N)-c2nc3c(sc(c3C)CN4CCN(CC4)C(CN)=O)c(n2)N5CCOCC5	84
+CC(C)(C)OC(=O)NCC(CI)NC(=O)OCc1ccccc1	343
+c1cc(ccc1C=2c3c(-n4c(C(CC(NCCNC(=O)CN)=O)N=2)nnc4C)ccc(c3)OC)Cl	84
+CC(C)(C)OC(=O)NCC(N1C(=O)c2ccccc2C1=O)Cc3ccccc3	1579
+CC(C)(C)OC(=O)NCC(c1ncc(C(=O)O)cc1)O	1
+c1cc(ccc1COC(CN)=O)Nc2cc(-c3c(ccc(Cl)c3)OCC)nc(N)n2	689
+CC(C)(C)OC(NCC(SC(C)=O)C)=O	2128
+CC(C)(C)OC(NCC(N=[N+]=[N-])C)=O	298
+CC(C)(C)OC(=O)NCC(c1c(C)cccc1C)COCc2c(F)cccc2F	149
+CC(C)(C)OC(=O)NCC(O)c1ccc(C(=O)OC)cn1	1394
+CC(C)(C)OC(=O)NCC(C(Nc1cc(c(C(=O)N)cc1)F)=O)c2ccc(cc2)COC(c3c(C)cc(cc3)C)=O	7333
+c1cc(ccc1Cl)C(CN)CC(=O)Nc2ccccc2	12
+CC(C)(C)OC(NCC(c1ccccc1)N)=O	45
+CC(C)(C)OC(=O)NCC(c1ccccc1)N2C(c3ccccc3C2=O)=O	2131
+CC(C)(C)OC(=O)NCC(c1ncc(C(=O)NCc2ccccc2)cc1)O	56
+C1CC1(c2nnc(o2)C3CCC4N(C(=O)N3C4)OCc5ccccc5)CN	12
+C1CN(CCO1)C2(CN(C2)S(=O)(=O)CCC)CN	12
+CC(C)(C)OC(NCC1(CCNC1)O)=O	25
+CC(C)(C)OC(=O)NCC1(CN(C1)S(=O)(=O)CCC)N2CCOCC2	112
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(c2c(C=1OCCCC)cc(cc2)O)=O	16
+CC(C)(C)OC(NCC1CCC(CC1)c2ccc(cc2)N)=O	890
+CC(C)(C)OC(NCC1CCNC1)=O	25
+CC(C)(C)OC(NCC1C(=NOC)CNC1)=O	62
+CC(C)(C)OC(=O)NCC1n2c3c(nc2COC1)c[n+](c4c3cccc4)[O-]	359
+C(C1COCc2nc3c(N)nc4c(c3n12)cccc4)N	12
+CC(C)(C)OC(NCC(CNc1cc2c(N(CCF)C(C2)=O)c(c1)F)O)=O	843
+CC(C)(C)OC(NCC(O)CNc1cc2CCOC(N(C)c2cc1)=O)=O	843
+CC(C)(C)OC(N(CCCC(C)C)CC1CCCc2c(Oc3ncc(cc3)C#N)cccc12)=O	7334
+CC(C)(C)OC(=O)NCC1n2c3c4c([n+]([O-])c(c3nc2COC1)N)cccc4	574
+CC(C)(C)OC(=O)NCC1COCc2nc3c(nc4c(c3n12)cccc4)N	445
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(=O)c2c(C=1OCCCC)cc(cc2)-c3sc(c(C)n3)C#N	1812
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(=O)c2c(C=1OCCCC)cc(cc2)-c3sc(c(C)n3)C(N)=O	1169
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(=O)c2c(cc(-c3nc(c(C(=O)O)s3)C)cc2)C=1OCCCC	6
+CC(C)(C)OC(=O)NCC1=C(c2c(ccc(OCC(=O)N)c2)C(=O)N1CC(C)C)OCCCC	2805
+C(C=Cc1cc2c(ncnc2cc1)Nc3cc(c(cc3)Oc4cnc(C)cc4)Cl)N	4120
+CC(C)(C)OC(NCCC#Cc1ccc(c(NCC)n1)C(NC)=O)=O	2348
+C1CC(CCC1)c2c3-c4ccccc4OCC(Cn3c5cc(C(OC)=O)ccc25)N(C)C(CCN)=O	12
+CC(C)(C)OC(NCCC(=O)Nc1ccc(cc1)C#CCCNC(=O)OCc2ccccc2)=O	121
+C(CC)N(CCC)C(COC(CCN)=O)=O	12
+CC(C)(C)OC(NCCC(NC(OC(C)(C)C)=O)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)NCCC(c1ccccc1)Nc2nccc(-c3n4ccnc(N5CCN(CC5)C)c4nc3)n2	435
+CC(C)(C)OC(NCCC(N)c1cc(ccc1)Cl)=O	45
+CC(C)(C)OC(=O)NCCc1nnc(C(C)C)o1	1037
+CC(C)(C)OC(=O)NCCc1oc(C)nn1	1037
+O=S(=O)(C)NC(=O)CCN	12
+CC(C)(C)OC(NCCC(Nc1ccc(cc1)CCCCNC(=N)NC(=O)c2c(nc(N)c(n2)Cl)N)=O)=O	4128
+CC(C)(C)OC(=O)NCCC(NNC(=O)C(C)C)=O	1038
+CC(C)(C)OC(NCCC(=O)N(CC(C)C)Cc1cc2OCCCOc2c(Cl)c1)=O	10
+CC(C)(C)OC(=O)NCCC(NNC(=O)C)=O	1038
+CC(C)(C)OC(=O)NCCC(NS(=O)(=O)C)=O	344
+CC(C)(C)OC(NCCC(Nc1ccc2c(n(S(=O)(=O)c3c4c(cccc4)ccc3)nc2)c1)=O)=O	33
+CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(cc1)I	33
+C1CCOC1COc2cccc(C(CCN)O)c2	12
+CC(C)(C)OC(NCCC(=O)c1cc(O)ccc1)=O	155
+CC(C)(C)OC(=O)NCCC(O)c1cc(OCC2OCCC2)ccc1	450
+CC(C)(C)OC(NCCC(O)c1cc(OCc2cccc(n2)C)ccc1)=O	885
+CC(C)(C)OC(=O)NCCC(c1cc(ccc1)OCc2ccncc2)O	22
+CC(C)(C)OC(NCCC(c1ccccc1)N2C(=O)c3c(C2=O)cccc3)=O	2131
+CC(C)(C)OC(=O)NCCC(O)c1cccc(O)c1	16
+CC(C)(C)OC(=O)N(CCC(c1ccc(cc1)N(C)c2ccc(cc2)OCc3ccccc3)C)C	397
+c1ccccc1C(CCN)Nc2nc(-c3n4ccnc(N5CCN(CC5)C)c4nc3)ccn2	12
+c1ccccc1C(CCN)Nc2nccc(n2)-c3n[nH]c4nc(NCCN5CCOCC5)ncc34	12
+CC(C)(C)OC(NCCC1(CCCC1)C(NC(Cc2ccc(cc2)[N+]([O-])=O)C(=O)OC)=S)=O	199
+c1cc(c(cc1CN2C(CCN)CC=CC2)Cl)Cl	12
+CC(C)(C)OC(N(C)CCC1CCN(CC1)C(OCc2cc(Cl)cc(Cl)c2)=O)=O	397
+C1CN(CCC1CCN)c2c3sc(C(N)=O)cc3nc(C)n2	12
+C1CC(CCN1c2ncnc3cc(C(N)=O)sc23)CCN	12
+CC(C)(C)OC(=O)NCCC1CCN(CC1)C(OCc2cc(Cl)cc(Cl)c2)=O	66
+CC(C)(C)OC(=O)NCCC1CCN(CC1)c2c3sc(C(N)=O)cc3nc(C)n2	2094
+CC(C)(C)OC(NCCC1CNCC1)=O	25
+CC(C)(C)OC(=O)NCCCN1c2c(cc3ccccc3c2)-c4nn(c(c4C1=O)C)C(OC(C)(C)C)=O	4129
+CC(C)(C)OC(=O)NCCCOc1c2CCCCc2c(C=O)cc1	8
+CC(C)(C)OC(=O)NCCCOc1cc(ccc1C(OC)=O)Br	8
+CC(C)(C)OC(=O)NCCCN1c2c(-c3nn(Cc4ccccc4)c(c3C1=O)C)cc5CCCCc5c2	4129
+CC(C)(C)OC(=O)NCCCN1C(CCC1)CN2N=C(Cc3ccc(cc3)Cl)c4ccccc4C2=O	28
+CC(C)(C)OC(=O)N(C)CCCC#C	397
+CC(C)(C)OC(NCCCC(C)(C)COS(=O)(=O)CCCNC(=O)C)=O	7
+C1N(CC1CCCCN)C(c2ccccc2)=O	12
+CC(C)(C)OC(=O)NCCCCC1CN(C1)C(c2ccccc2)=O	115
+CC(C)(C)OC(N(C)CCCCCC(OC)=O)=O	397
+CC(C)(C)OC(=O)NCCCCCC(C)O	684
+CC(C)(C)OC(=O)NCCCCCCN1C(=O)C=Cc2c1cccc2	7335
+CC(C)(C)OC(NCCCCCCNCCCn1c(nc2c(N)ncnc12)Sc3cc(Cl)cc(c3)Cl)=O	132
+c1cccc2N(C(C=Cc12)=O)CCCCCCN	12
+CC(C)(C)OC(=O)NCCCCCC=O	24
+CC(C)(C)OC(=O)NCCCCCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)NCCCCCn1cnc(-c2ccccc2)c1-c3ccccc3	1193
+c12cnc(-c3cnn(CCCCCN)c3)cc1c4cc(cnc4[nH]2)OC	12
+CC(C)(C)OC(NCCCCNCc1c(cccn1)-c2ccccc2)=O	294
+CC(C)(C)OC(NCCCCNc1c2c(cc(cc2)OCc3ccccc3)ncc1[N+]([O-])=O)=O	105
+CC(C)(C)OC(=O)NCCCCN1CCNCC1	62
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(=O)O	3
+CC(C)(C)OC(=O)NCCCCc1ccc(cc1)NCCCC(=O)OCC	601
+CC(C)(C)OC(=O)NCCCCc1ccc(cc1)NCCCC(N)=O	728
+c1cc(ccc1CCCCN)NCCCC(N)=O	12
+CC(C)(C)OC(NCCCCc1ccc(cc1)OCCNC(OCc2ccccc2)=O)=O	8
+CC(C)(C)OC(=O)NCCCCn1c(nc2c[n+](c3cc(OCc4ccccc4)ccc3c12)[O-])CCOC	359
+CC(C)(C)OC(=O)NCCCNC(C(C)C)C1=Nc2nc3c(cccc3)nc2C(=O)N1Cc4ccccc4	1682
+CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	71
+CC(C)(C)OC(=O)NCCCNC(Nc1cc([N+]([O-])=O)ccc1)=O	282
+CC(C)(C)OC(NCCCNc1c2ccccc2ncc1[N+]([O-])=O)=O	7336
+CC(C)(C)OC(=O)NCCCNC(=S)N	2806
+CC(C)(C)OC(=O)NCCCNC(=O)c1cnc(Nc2ccc(cc2)C#N)nc1NCCC	484
+CC(C)(C)OC(NCCCNC(CC)C=1N(C(c2c(N=1)onc2C)=O)Cc3ccccc3)=O	1682
+c1cc(ccc1Cl)CC=2c3ccccc3C(N(CC4CCCN4CCCN)N=2)=O	12
+c1cc(ccc1Cl)CC2CN(C2)CCCN	12
+C1CN(CCC12CCN(C2)c3ncnc4[nH]cc(c34)Cl)CCCN	12
+CC(C)(C)OC(NCCCN1CCC2(CC1)CCNC2)=O	62
+CC(C)(C)OC(=O)NCCCNC(=O)c1cnc(Nc2ccc(cc2)C(=O)N)nc1NCCC	216
+c1([N+]([O-])=O)cc(ccc1)NC(NCCCN)=O	12
+CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2c(Cl)c(ccc2)Cl)c1O	124
+CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(c([N+](=O)[O-])ccc1Cl)O	1683
+CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(Cl)ccc(N)c1O	0
+CC(C)(C)OC(NCCCn1c(CCCC)nc2cnc3c(c12)cccc3)=O	546
+CC(C)(C)OC(NCCCn1c(Nc2cc(OC)c(c(OC)c2)OC)nc3c1cc(cc3)C(OC)=O)=O	1023
+CC(C)(C)OC(=O)NCCCNc1cc(ccc1N)C(=O)OC	0
+CC(C)(C)OC(=O)NCCCOCCOCCOCCCNC(c1ccc(cc1)C#CC#N)=O	93
+CC(C)(C)OC(=O)NCCCOc1c2c(CCCC2)c(C=CCCN=[N+]=[N-])cc1	2053
+c1c(cc(c(C(=O)OC)c1)OCCCN)Br	12
+C(C=CCC=CCCC(N(CCN)C)=O)C=CCC=CCC=CCC=CCC	12
+CC(C)(C)OC(=O)NCCN(C)CCNC(CCC(=CCc1c(OC)c(C)c2c(C(OC2)=O)c1O)C)=O	9
+CC(C)(C)OC(=O)NCCN(C(OC(C)(C)C)=O)C1CCC(CC1)(O)CC(=O)O	210
+C1c2c(ccc(Br)c2)CC1N3CCNCC3=O	7337
+c12cc(C3=CC4N(CCN)C(C3)CC4)ccc1cccc2	12
+CC(C)(C)OC(NCCn1nc(cc1C(OCC)=O)OCc2ccccc2)=O	7338
+CC(C)(C)OC(NCCNC(=O)CCN)=O	102
+CC(C)(C)OC(NCCNC(=O)Nc1ccc(cc1)NC(=O)ON2C(CCC2=O)=O)=O	7339
+C(=CCC=CCC=CCCC(=O)NCCN)CC=CCC=CCC=CCC	12
+C1CN(CCN1C(C)=O)c2cc(ncc2)Nc3sc(cn3)-c4cc(cnc4)C(NCCN)=O	12
+n1c(Nc2c(Cl)cccn2)sc(c1)-c3cncc(C(NCCN)=O)c3	12
+CC(C)(C)OC(=O)NCCN(C(=O)c1ccccc1)Cc2ccc(OCc3ccccc3F)c(c2)OC	115
+CC(C)(C)OC(=O)NCCNS(=O)(=O)c1c2c(cc(-c3ccccc3)c1)cncc2	11
+n1c2c(cccc2)c(cc1-c3ccccc3O)NCCN	12
+CC(C)(C)OC(NCCOc1c(I)c(c(Cl)cc1C(C)=O)C#N)=O	20
+CC(C)(C)OC(=O)NCCON1C(=O)c2ccccc2C1=O	1395
+CC(C)(C)OC(NCCOc1ccc2c(ccn2S(=O)(=O)c3ccccc3)c1)=O	20
+CC(C)(C)OC(NCCOc1cc(Br)cnc1)=O	981
+CC(C)(C)OC(=O)NCCOCCOc1cc2c(c3c(cn2)nc(s3)CCC)cc1	116
+CC(C)(C)OC(=O)NCCOCCNC(c1ccccc1O)=O	3425
+CC(C)(C)OC(=O)NCCOCCNC(c1cnccc1)=O	56
+CC(C)(C)OC(NCCOCCNc1c(cnc2ccccc12)[N+](=O)[O-])=O	105
+CC(C)(C)OC(=O)NCCOCCN	18
+CC(C)(C)OC(=O)NCCOCCOc1c(OC)cc([N+]([O-])=O)cc1	262
+CC(C)(C)OC(=O)NCCOCCN=[N+]=[N-]	133
+CC(C)(C)OC(=O)NCCOCCOc1ccc(cc1OC)N	0
+CC(C)(C)OC(=O)NCCOCCOc1cc(N)ccc1	0
+CC(C)(C)OC(=O)NCCOCCOc1cc2c(cc1)c3c(nc(CCC)s3)c([n+]2[O-])N	7340
+CC(C)(C)OC(=O)NCCOCCOc1cc2[n+]([O-])cc3nc(CCC)sc3c2cc1	359
+CC(C)(C)OC(=O)NCCOCCOc1ccc2c3c(c(nc2c1)N)nc(CCC)s3	445
+c1c2c(ccc1OCCOCCN)c3sc(nc3c(N)n2)CCC	12
+CC(C)(C)OC(=O)NCCONC(=O)C1CCC2CN1C(=O)N2OCc3ccccc3	293
+CC(C)(C)OC(=O)NCCON	670
+CC(C)(C)OC(=O)NCCONC(=O)C1N2C(=O)N(O)C(CC1)C2	2674
+c1c(C)c(c(cc1OCCN)C)Br	12
+CC(C)Oc1ncc(c(C(=O)OC)c1C)OCCN	12
+CC(C)(C)OC(=O)NCCSCCCn1ncc(-c2nc(C(=O)OC)ccc2)c1	1105
+Clc1c[n+]([O-])cc(CCN)c1	12
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2cccc(Oc3nc(ncc3)Cl)c2	185
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2cccc(c2)Oc3ccnc(C#N)n3	738
+c1cc(ccc1-c2cccc(c2)Oc3ccnc(C#N)n3)CCN	12
+CC(C)(C)OC(=O)NCCc1ccc(cc1)C#N	160
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2cc(O)ccc2	11
+c1cc(ccc1C#N)CCN	12
+CC(C)(C)OC(NCCc1ccc(cc1)CO)=O	49
+CC(C)(C)OC(=O)NCCc1ccc(cc1)NCc2ccccc2	208
+CC(C)(C)OC(=O)NCCc1ccc(cc1)Oc2ccc(cc2)Cl	472
+c1cc(ccc1Oc2ccc(cc2)Cl)CCN	12
+c1cc(ccc1F)Oc2ccc(cc2)CCN	12
+CC(C)(C)OC(NCCc1c(cc(cc1)C(C)C)OCCCC(=O)OCC)=O	8
+CC(C)(C)OC(NCCc1cc(C#N)ccc1)=O	160
+CC(C)(C)OC(=O)NCCc1cc(Cl)c[n+](c1)[O-]	103
+Clc1cnc(CCN)c(Cl)c1	12
+CC(C)c1oc(CCN)nn1	12
+n1c(oc(CCN)n1)C	12
+c1c(c(I)ccc1OC)Sc2n(c3ncnc(N)c3n2)CCN	12
+FC(F)(F)Oc1cccc(c1)Oc2ccc(Nc3c4c(ncn3)ccn4CCN)cc2C	12
+CC(C)(C)OC(=O)NCc1ccc(-c2cc(nc(Cl)c2)OC)cc1F	91
+CC(C)(C)OC(NCc1c(cc(F)cc1)OCCCCS(=O)(=O)NC)=O	116
+FC(F)(F)c1cc(ccc1Nc2cc(F)c(CN)nc2)OC	12
+CC(C)(C)OC(=O)NCc1c(O)cc(F)cc1	16
+CC(C)(C)OC(=O)NCc1c2c(OC)cc(cc2c(cn1)C(=O)N(CCN(C)C)Cc3ccccc3)OC	211
+CC(C)(C)OC(NCc1ncc(c2cc(OC)cc(c12)OC)C(N3Cc4ccccc4CC3)=O)=O	211
+CC(C)(C)OC(=O)NCc1ncc(C(=O)N(Cc2ccccc2)C)c3cc(OC)cc(OC)c13	211
+CC(C)(C)OC(=O)NCc1c2c(OC)cc(OC)cc2c(C(O)=O)cn1	6
+c1ccccc1CN(CCN(C)C)C(c2cnc(c3c(OC)cc(OC)cc23)CN)=O	12
+CC(C)(C)OC(NCc1ncc(CC(O)=O)c2cc(c(OC)cc12)OC)=O	3
+CC(C)(C)OC(NCc1c(C)nc(c(C#N)c1)N)=O	1684
+CC(C)(C)OC(=O)NCc1ccc(O)c(C(N)=O)c1	169
+CC(C)(C)OC(=O)NCc1cc(Nc2nc3c(n2C)cc(c(c3)C(O)=O)OCC(F)F)c(Cl)cc1	6
+CC(C)(C)OC(=O)NCc1cc(Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(cc3n2C)OCC(F)F)c(Cl)cc1	67
+FC(F)COc1c(C(=O)Nc2ccc(cc2)Br)cc3nc(Nc4c(ccc(CN)c4)Cl)n(C)c3c1	12
+c1(c(Nc2c(cccc2)C(=O)NC)nc(nc1)Nc3cccc(CN)c3)Cl	12
+CC(C)(C)OC(=O)NCc1ccc(cc1F)-c2cc(nc(OC)c2)-c3cnn(C)c3	1396
+CN(C)CC1CCCN1c2c(Cl)cc3nc(Nc4cc(ccc4Cl)CN)[nH]c3c2	12
+c1cc(ccc1NC(=O)c2cc(ccc2OC)NC(c3cc(CN)ccc3Cl)=O)Br	12
+CC(C)(C)OC(=O)NCc1ccc(CO)c(Cl)c1	88
+CC(C)(C)OC(NCc1ccc(cc1)-c2cccc(OCCCCOCc3ccccc3)c2)=O	20
+CC(C)(C)OC(=O)NCc1ccc(cc1)-c2cc(O)ccc2	16
+c1cc(ccc1CN)-c2csc(NC(C3CC3)=O)n2	12
+CC(C)(C)OC(=O)NCc1ccc(cc1)-n2c3ccccc3c(Cl)c2C#N	1194
+CC(C)(C)OC(=O)NCc1ccc(cc1)-c2cccc(OCc3ccccc3)c2	11
+CC(C)(C)OC(=O)NCc1ccc(cc1)CO	98
+C1CCCCC1(c2ccc(cc2)CN)O	12
+CC(C)(C)OC(NCc1ccc(cc1)CNCCCCNC(=O)OCc2ccccc2)=O	42
+CC(C)NC(=O)Cc1ccc(cc1)CN	12
+CC(C)(C)OC(=O)NCc1ccc(cc1)CC(=O)NC(C)C	9
+CC(C)(C)OC(NCc1ccc(cc1)CNCc2ccc(cc2)F)=O	42
+CC(C)(C)OC(=O)NCc1ccc(cc1)C=O	39
+CC(C)(C)OC(=O)NCc1ccc(cc1)NC(=O)CCc2cccc3c2B(O)OC3	33
+c1cc(ccc1CN)N2C(=O)OC(C(=O)O)C2	12
+CC(C)(C)OC(=O)NCc1ccc(cc1)N2C(OC(C2)C(N3CCN(CC3)CCC(=O)OCc4ccccc4)=O)=O	10
+CC(C)(C)OC(=O)NCc1ccc(cc1)N2C(OC(C2)C(N3CCN(CC3)CCC(=O)O)=O)=O	210
+c1cc(ccc1CN)NC(=O)CCc2cccc3c2B(O)OC3	12
+c1(-c2cc(F)c(cc2)CN)cc(OC)nc(-c3cnn(C)c3)c1	12
+CC(C)(C)OC(=O)NCc1cccc([N+]([O-])=O)c1C(O)=O	1
+CC(C)(C)OC(=O)NCc1cccc(N)c1C(=O)O	0
+C1CCCCC1Cc2ccc(CN)cn2	12
+C1CCCCN1Cc2ccc(cn2)CN	12
+CC(C)(C)OC(=O)NCc1cnc(cc1)CCl	515
+CC(C)(C)OC(NCc1sc(c(C(F)(F)F)n1)C(N)=O)=O	4130
+Clc1cccc(CCNC(=O)c2nc(CN)sc2)c1	12
+CC(C)(C)OC(=O)NCc1nc2C(=O)N(C(=O)N(C)c2[nH]1)CCCCC(C)OS(=O)(=O)C	710
+CC(C)(C)OC(=O)NCc1sc(COC(C)=O)cn1	27
+C1CCCCC(C1)Oc2ccc(CN)nc2	12
+CC(C)(C)OC(=O)N(Cc1nnc(C)s1)c2nc(C)nc(c2)OCC3C(c4ncc(C(C)(C)O)cc4)C3	7341
+c1(sc(CNC=O)nc1)COC(=O)C	7342
+CC1(C)C2(C3=C(C(=O)N(N3)c4c(Cl)cc(cc4)F)C1CC2)C	7343
+CC1(C)C2C(C(C1(C)CC2)=O)C(N(c3ccc(cc3Cl)F)N)=O	2132
+CC(C)(C)OC(NN(C1CCCC1)c2nc(ncc2Br)C#N)=O	738
+O=S(=O)(c1ccc2c(c1)ccc(c2)Cl)N3CC(=O)N(N)CC3	2132
+CC(C)(C)OC(=O)NN1C(CN(S(=O)(=O)c2cc3c(cc(Cl)cc3)cc2)CC1)=O	3469
+NNC(c1ccc([N+]([O-])=O)cc1OCC)=O	1685
+Cc1ccc(cc1-c2cc3nnc(-c4c(cccc4)Cl)n3cc2)C(=O)NN	1685
+c1cc(ccc1-c2ncc(C#N)cc2)C3(CC3)C(NN)=O	2132
+CC(C)(C)OC(=O)NNC(=O)OCCc1ccc(cc1)N	0
+c1cc(ccc1-c2c(ccc(c2)C(=O)NC3CC3)C)C(NN)=O	1685
+c1ccccc1COC(=O)N2C3CC(C(C3)C2)NN	2133
+C1CC1C(NCc2ccc(c(N3NC(=NC3=O)c4c(cc(cc4)Cl)F)c2)Cl)=O	2807
+FC(F)(F)C(=O)NCc1cc(C2=NC(=O)N(N2)c3cc(Cl)c(F)cc3)c(cc1F)Cl	2807
+FC(F)(F)C(NCc1cc(c(Cl)cc1)C=2NC(=O)N(c3cc(Cl)c(cc3)F)N=2)=O	7344
+CC(C)C(=O)NCc1cc(N2NC(=NC2=O)c3ccc(c(F)c3)I)c(cc1)Cl	2807
+c1c(NN)ccc(C)c1Cl	2133
+C1CC1CNC(=O)c2cc(NN)ccc2	2133
+CC(C)(C)OC(NOC(Cc1ccccc1)C(=O)O)=O	210
+CC(C)(C)OC(=O)NOCC(NNC(=O)c1cc(cc(OCc2ccccc2)c1OCc3ccccc3)S(=O)(=O)O)=O	708
+CC(C)(C)OC(NOCCCCN)=O	45
+c12c(cc(OCC(NCCCCON)=O)cc1)OC(C=C2C)=O	7345
+CC(C)(C)OC(Nc1nc2cc(c(c(C)c2[nH]1)N)C)=O	0
+Cc1c(cccc1)-c2c(sc(C)n2)N	2808
+CC(C)(C)OC(=O)N(c1c(Br)c2cc(S(=O)(=O)C)ccc2cc1)CC=CCl	4131
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)CC(C(=O)OC)NC(C)=O)cn(C)n1)=O	1122
+C1C(CC1)C#Cc2cc(Cl)ncc2N	473
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4ccc(cc34)C5(CCC5)C(OCC)=O)N	7346
+Nc1c(ccnc1)C(=O)O	473
+CC(C)(C)OC(=O)Nc1sc(-c2c(cc(F)cc2)F)cc1C(OC)=O	268
+CC(C)(C)OC(Nc1sc(cc1C(=O)OC)-c2ccc(cc2)F)=O	268
+CC(C)(C)OC(=O)Nc1ccc(nc1COC(=O)C)Cl	174
+CC(C)(C)OC(=O)N1CCC2CN(CCC12)c3c(Cl)c(cc(C#N)c3)N	78
+Nc1c(nc(c(-c2ccncn2)c1)-c3occc3)Cl	473
+CN(C)c1ncc(cc1N)[N+](=O)[O-]	473
+CC(C)(C)OC(=O)Nc1c(NC(CC(=O)c2cccc(c2)-n3cncc3)=O)cc(C#Cc4ccc(cc4)F)cc1	1397
+CC(C)(C)OC(Nc1ccc(I)cc1NC(=O)CC(=O)c2cccc(C#N)c2)=O	3504
+N1c2cc(ccc2N=C(c3cc(ccc3)C#N)CC1=O)-c4occc4	690
+c1cc(ccc1F)C#Cc2cc(c(N)cc2)NC(CC(c3cccc(c3)-n4cncc4)=O)=O	78
+c1ccccc1C#Cc2ccc3N=C(CC(=O)Nc3c2)c4cccc(-n5c(nc(C)c5)C)c4	690
+C1(CCC(Nc2nc(Nc3cc(F)ccc3N)ncc2[N+]([O-])=O)c4c1cccc4)=O	78
+CC(C)(C)OC(=O)Nc1c(N)cc(c(N(C)CCOC)c1)Cl	0
+c1(c(Cl)nccc1N)F	78
+Clc1c(c(F)ccc1N)Cl	78
+Nc1cc(C)cc(c1F)Br	78
+CC(C)(C)OC(=O)Nc1cccc(OC)c1N	0
+Nc1cccc(c1[N+]([O-])=O)OC	78
+c1c(cccc1C(=O)CC(=O)Nc2c(N)ccc(c2)-c3c(ccc(F)c3)F)C#N	78
+c1ccccc1NC(C(c2ccc(cc2)C(=O)Nc3cc(-c4ccsc4)ccc3N)CNC(C)=O)=O	78
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(CNC(NC)=O)C(O)=O	4
+CC(C)(C)OC(=O)Nc1ccc(cc1NC(=O)CC(=O)c2cccc(C#N)c2)C#Cc3ccccc3F	1397
+CC(C)(C)OC(=O)Nc1c(NC(CC(c2cc(-n3c(nc(C)c3)C)ccc2)=O)=O)cc(C#Cc4ccccc4)cc1	496
+CC(C)(C)OC(=O)Nc1c(cc(C#Cc2ccccc2)cc1)NC(=O)CC(=O)c3cccc(C#N)c3	1397
+c1ccccc1C#Cc2ccc3c(c2)NC(CC(c4cccc(c4)C#N)=N3)=O	690
+CC(C)(C)OC(=O)Nc1c(I)nc(CO)cc1C	194
+O(C)c1ncc(N)c(I)c1	473
+CC(C)(C)OC(=O)Nc1cc(c(C#N)cc1N)N(CC)CC	0
+CC(C)(C)OC(=O)Nc1c(cc(Cl)c(N(C)C)c1)N	0
+CC(C)(C)OC(=O)Nc1c(cc(-c2cc(ccc2F)F)cc1)NC(CC(=O)c3cccc(C#N)c3)=O	1397
+CC(C)(C)OC(=O)Nc1c(cc(-c2ccc(cc2)OC)cc1)NC(=O)CC(=O)c3cccc(C#N)c3	1397
+C(Oc1cc(OC)ccc1N)CCBr	78
+c1c(CC)c(c(cc1-c2ccc(cc2)Cl)CC)N	78
+CC(C)(C)OC(Nc1cc(N)c(cc1F)Cl)=O	196
+c1cc(ccc1C(c2ccccc2N)=O)Cl	78
+CC(C)(C)OC(=O)Nc1c(nc(cc1)Cl)C=O	178
+c1(c(N)c(OC)ncc1)C	473
+CC(C)(C)OC(Nc1conc1-c2ccc(cc2)O)=O	686
+O=S(=O)(NC(C1(CC1)c2ccc(cc2)-c3ccc(cc3)-c4onc(C)c4N)=O)C	2809
+CC(C)(C)OC(Nc1ccsc1C(=O)Nc2cccc(c2)OC)=O	2810
+c1(c(N)c2c(cc1)CCCO2)F	78
+CC(C)(C)OC(Nc1cccc2CCCN(C)c12)=O	891
+N#CCOc1c2ccccc2c(N)cc1	78
+CC(C)(C)OC(Nc1nccc(c1)C#Cc2cc(N)ccc2)=O	3234
+Nc1c(c(cc(C#N)c1)C(C)CCO)Cl	78
+CC(C)(C)OC(=O)Nc1cc(C)c(CNC(=O)c2cn(Cc3cc4c(cc3)nc(cc4)C)nn2)c(C)n1	7347
+Cc1c(c(C)cc(n1)N)CNC(c2nnn(Cc3ccc4c(ccc(n4)C)c3)c2)=O	451
+c1(c(c(c(c(C)c1)O)C)C)NC	352
+CC(C)(C)OC(=O)Nc1cc(C)c(CNC(Cc2c(F)c(ccc2Cl)NCC(F)(F)c3ccccc3)=O)c(C)n1	9
+CC(C)(C)OC(Nc1cc(C)c(c(C)c1)Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)=O	452
+CC(C)(C)OC(Nc1cc(-c2c(N)cncc2)cc(C)c1)=O	13
+CC(C)(C)OC(=O)Nc1nccc(CCC(=S)N)c1	199
+CC(C)(C)OC(=O)Nc1cc(ccn1)CCC(O)=O	4
+CC(C)(C)OC(=O)Nc1ccc(c(CC#N)c1)Cl	1686
+c1cc(ccc1-n2c(C(C)(C)c3ccc(c(OC)c3)Cl)cnc2SCc4c(cc(N)cc4F)Cl)F	78
+CC(C)(C)OC(=O)Nc1c([N+]([O-])=O)cc2c(noc2c1)N	2134
+CC(C)(C)OC(=O)Nc1cnc(c(F)c1I)Cl	916
+Fc1c(c(c(cc1F)N)F)C(c2cc3c(ncc(n3)Cl)cc2)=O	78
+CC(C)(C)OC(=O)Nc1cc(F)c(cc1C(NCC(=O)NCC2CCN(CC2)Cc3ccc(c([N+](=O)[O-])c3)O)=O)F	48
+C1CN(CCC1CNC(CNC(=O)c2c(N)cc(c(c2)F)F)=O)Cc3cc(c(cc3)O)N	78
+CC(C)(C)OC(=O)Nc1cc(F)c(cc1C(NCC(=O)NCC2CCN(CC2)Cc3cc(c(cc3)O)N)=O)F	0
+CC(C)(C)OC(=O)Nc1cc(N(C)C)c(C)cc1N	0
+CC(C)(C)OC(=O)Nc1cc(N(C2CC2)c3ncc4nc(sc4n3)N)ccc1	2811
+CC(C)(C)OC(=O)Nc1cc(N(C2CC2)c3ncc4nc(sc4n3)NC(C)=O)ccc1	290
+C1CC1N(c2cc(ccc2)N)c3nc4sc(NC(C)=O)nc4cn3	78
+CC(C)(C)OC(Nc1cc(N2C(C=C(OC)C2=O)=O)cc(N3C(C=C(C3=O)C)=O)c1)=O	7348
+[N-]=[N+]=Nc1cc(Cl)cc(N)c1	78
+CC(C)Nc1cc2N=C(CC(Nc2cc1Cl)=O)c3cccc(-c4onc(C)c4)c3	690
+CC(C)(C)OC(=O)Nc1cc(Nc2c(cnc(n2)Nc3ccc(OCCOC)c(OCc4ccccc4)c3)F)ccc1	55
+c1(N)cccc(Nc2nc(Nc3cc(O)c(cc3)OCCOC)ncc2F)c1	78
+CC(C)(C)OC(Nc1ccc(C)c(c1)OCCN(C)C)=O	72
+C1CC1C(=O)Nc2nc3n(cc(Oc4cc(c(Cl)cc4)N)cc3)n2	78
+c1ncncc1Oc2cc(cc(c2)Cl)N	78
+CC(C)(C)OC(Nc1cc(N)c(cc1)C)=O	0
+CC(C)(C)OC(N(c1ccc(C)c(c1)[N+](=O)[O-])C)=O	2812
+CC(C)(C)OC(=O)Nc1c(N)cc(-n2cccc2)c(OCCOC)c1	0
+CN(C)c1c(cc2NC(=O)CC(c3cc(ccc3)-c4onc(C)c4)=Nc2c1)C	690
+CC(C)(C)OC(=O)Nc1cc(C)c(c(C)n1)CN	388
+C1CN(CCN1C)c2ccc(cc2Cl)N	78
+CC(C)(C)OC(=O)Cn1c(CCC)nc2cc(NC(=O)OC(C)(C)C)ccc12	4132
+CC(C)(C)OC(=O)Nc1c(Cl)c(cc(c1)C#N)N2CC3CCN(C(=O)OC(C)(C)C)C3CC2	79
+CC(C)(C)[Si](C)(C)OC1CN(CCC1N2CCOCC2)c3cc(cc(NC(OC(C)(C)C)=O)c3Cl)C#N	79
+CC(C)(C)[Si](C)(C)OCC1CN(CCN1C2COC2)c3c(c(cc(C#N)c3)NC(OC(C)(C)C)=O)Cl	79
+CC(C)(C)OC(=O)Nc1cc(cc(I)c1)N=[N+]=[N-]	615
+[N-]=[N+]=Nc1cc(N)cc(I)c1	78
+CC(C)(C)OC(=O)Nc1cc(N=[N+]=[N-])cc(Cl)c1	615
+CC(C)(C)OC(=O)Nc1cc(N)cc(c1)N2C(C(C)=CC2=O)=O	0
+CC(C)(C)OC(Nc1cc(C=O)cc(c1)C)=O	39
+C1CC2(CCN1c3c(c(cc(C#N)c3)N)Cl)C(=O)N(CC2)C	78
+C1CCN1C(=O)c2cccc(N)c2	78
+CC(C)(C)OC(=O)Nc1cccc(Nc2c(CO)cnc(SC)n2)c1	897
+CC(C)(C)OC(=O)Nc1cccc(Nc2c(C(=O)C)cnc(SC)n2)c1	4133
+CC(C)(C)OC(=O)Nc1cc(CCC(=O)N)ccn1	83
+CC(C)(C)OC(=O)Nc1cc(ccn1)CCc2cc(ccc2)Nc3nc(ncc3F)Cl	73
+Nc1cc(cnc1Cl)Nc2ncc(OC)cc2-c3nc(N)nc(C)n3	473
+OCc1cc(ncn1)N	451
+CC(C)(C)OC(=O)Nc1cc(no1)-c2cc(ccc2)-c3ccc(cc3)C(N4CCNCC4)=O	62
+Nc1ccc2CC3(c4ccccc4NC3=O)Cc2c1	78
+c1cc(ccc1C2=C(C(C)(C)Oc3c2ccc(N)c3)F)F	78
+CC(C)(C)OC(N(c1c(OC)cc2C34CCCCC3C(N(CC4)C(OCc5ccccc5)=O)Cc2c1)C)=O	2812
+O=S(=O)(N1c2c(CCC1)ncc(N)c2)c3cc(ccc3)C	473
+CC(C)(C)OC(=O)Nc1ccc2c(c1[N+](=O)[O-])ccc(c2)Br	77
+C1COCCN1c2nc(Cl)nc3cc(N)sc23	2813
+c1(cc(ccc1)OC)-c2nc3n(ccc(N)c3)n2	78
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1N)=O	0
+c1ncc(-c2cc(Cl)c(N)cc2)nc1C	78
+CN(C)C(Nc1c(N)ccc(-c2cccs2)c1)=O	78
+CC(C)(C)OC(=O)Nc1c(cc(C#Cc2ccccc2)cc1)N	0
+CC(C)(C)OC(Nc1ccc(C(c2ccc(cc2)Cl)(O)C)cc1C)=O	7349
+C1CN(Cc2c1c(n[nH]2)C(=O)N)c3ccc(N)cn3	473
+CC(C)(C)OC(Nc1c(cc(cc1)Oc2c(c(ncc2)NC)[N+]([O-])=O)F)=O	242
+CC(C)(C)OC(=O)Nc1ccc(OCc2ccccc2C(OC)=O)cc1NCc3ccc(cc3Cl)-c4ccccc4	608
+CC(C)(C)OC(=O)Nc1ccc(c(c1)Nc2cc(C)nn2-c3cc(NC)ncn3)C	781
+CC(C)(C)OC(Nc1cc(Nc2n(-c3ncnc(c3)NC)ncn2)c(cc1)C)=O	490
+CC(C)(C)OC(=O)Nc1ccc(c(CC(=O)O)c1)Cl	459
+CC(C)(C)OC(=O)Nc1ccc(c(c1)CC(OCC)=O)Cl	939
+CC(C)(C)OC(=O)Nc1cc(COS(=O)(=O)C)c(Cl)cc1	7
+CC(C)(C)OC(=O)Nc1ccc(c(Nc2nc(ncc2Cl)Nc3cc(C)ns3)c1)F	7350
+Nc1cc(c(F)cc1)Nc2nc(Nc3cc(C)ns3)ncc2Cl	78
+c1(C)ccc(N)cc1Nc2n(-c3cc(NC)ncn3)nc(C)c2	78
+CC(C)(C)OC(=O)Nc1c2ccccc2c(OCC#N)cc1	489
+c1ncncc1-c2c([nH]c3ncc(Cl)cc23)-c4ccc(cc4)N	78
+CC(C)(C)OC(Nc1ccc(cc1)-c2c(F)c3c(c([nH]n3)N)cc2)=O	575
+c1cc(ccc1-c2nn3nc(nc3cc2)N)N	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2c3c([nH]n2)ncnc3Nc4cc(Cl)ccc4	7351
+c1cc(ccc1)S(=O)(=O)Cc2nc(-c3ccc(cc3)N)nc(N4CCOCC4C)c2	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2scc(n2)C(Nc3ccc(cc3)-c4scc(C(OCC)=O)n4)=O	2015
+c1cc(ccc1-n2c(CCC=C)c(nn2)C(=O)NC3CC3)NC(NCC)=O	7352
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2ccc(c(F)c2F)C#N	368
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2ccc3n(nc(n3)N)n2	7353
+c1cc(ccc1N)C(N2CC3(CC2CC(C)(C)C3)C)=O	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)N2CC3(CC2CC(C)(C)C3)C	30
+c1ccccc1CN2C(CC(c3ccc(cc3)N)(C)C2=O)=O	78
+c1cc(ccc1CCc2c(Cc3ccc(cc3)S(=O)(=O)C)sc(NC(=O)OCC)n2)N	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)CCc2nc(sc2Cc3ccc(cc3)S(=O)(=O)C)N	1176
+CC(C)(C)OC(=O)Nc1ccc(cc1)CCc2c(Cc3ccc(cc3)S(=O)(=O)C)sc(NC(=O)OCC)n2	810
+CC(C)(C)OC(N(C)c1ccc(cc1)I)=O	2812
+CC(C)(C)OC(=O)Nc1ccc(cc1)Nc2ncnc(c2)Cl	73
+CC(C)(C)OC(=O)Nc1ccc(cc1)N2CC(CCCC)(CCCC)CS(=O)(=O)c3c2ccc(c3)OCC(=O)O	3
+CC(C)(C)OC(=O)Nc1cc(c(cc1)N2CCN(CC2)C)Cl	196
+CC(C)(C)OC(=O)Nc1ccc(cc1)N2CC(CCCC)(CCCC)CS(=O)(=O)c3cc(ccc23)OCC(OCC)=O	52
+c1cc(ccc1N)Nc2ncnc(-c3ccc(cc3)F)c2	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)Nc2ncnc(c2)-c3ccc(cc3)F	198
+CC(C)(C)OC(Nc1ccc(cc1)Oc2cc(-n3cncn3)ncn2)=O	185
+CC(C)(C)OC(=O)Nc1ccc(cc1)Sc2c(Nc3c4c(cc(cc4)C(C)C)ncn3)cc(C(=O)OC)cc2	73
+CC(C)(C)OC(=O)Nc1ccc(cc1)Sc2ccc(C(=O)O)cc2Nc3c4c(cc(cc4)C(C)C)ncn3	1
+CC(C)(C)OC(=O)Nc1ccc(cc1)Sc2c(N)cc(cc2)C(OC)=O	0
+CC(C)(C)OC(Nc1ccc(cc1Br)C(c2ccc(cc2)Cl)=O)=O	705
+c1c(c(C#Cc2cc3c(cc2)N=C(c4cccc(C#N)c4)CC(N3)=O)ccc1)F	690
+c1cc(ccn1)-c2nn3c(ccnc3c2-c4cc(OC)c(cc4)N)C5CC6CCC(C5)N6CC	78
+CC(C)(C)OC(Nc1c(N)cc(-c2c(Cl)cccc2)cc1)=O	0
+CC(C)(C)OC(=O)Nc1c(N)cc(C#Cc2ccc(cc2)F)cc1	0
+CC(C)(C)OC(=O)Nc1c(cc(C#Cc2c(cccc2)F)cc1)N	0
+CC(C)(C)OC(=O)Nc1ccc(OCc2c(cccc2)C(OC)=O)cc1N	0
+CC(C)(C)OC(=O)Nc1ccc(cn1)-c2ccc(cc2)C(=O)O	1
+CC(C)(C)OC(=O)Nc1c(cc(cn1)-c2ccccc2)C=O	1031
+C1CN(CCO1)Cc2cnc(N)cc2	451
+CC(C)c1ccc(N)cn1	473
+CC(C)(C)OC(=O)Nc1ccc(nc1)C(F)F	7354
+FC(F)c1ccc(N)cn1	473
+CC(C)(C)OC(Nc1ccc(CCO)nc1)=O	44
+CC(C)(C)OC(=O)Nc1c(nc(cc1)Cl)CO	59
+CC(C)(C)OC(N(C)c1ccc2c(n1)c(OC)ccc2Br)=O	4134
+c12ccc(N)cc1[nH]c3c(C(=O)N)cc(cc23)Br	78
+c1cc(ccc1)-c2c3cccnc3ccc2N	78
+CC(C)(C)OC(N(CC=CCl)c1c(Br)c2c(cc(cc2)C#N)cc1)=O	4131
+C1COCCN1c2nn3cc(ccc3n2)N	473
+CC(C)(C)OC(=O)Nc1cc(Nc2nc(Cl)ncc2F)ccc1	73
+CC(C)(C)OC(=O)Nc1cccc(c1)Nc2nc(SC)ncc2C=O	1195
+CC(C)(C(OCC)=O)Oc1cccc(N)c1	78
+c1cc(ccc1OC)CNC(=O)C2=C(N(C(C=C2Oc3cccc(c3C)N)=O)C)Nc4c(cc(I)cc4)F	78
+CC(C)(C)OC(=O)Nc1cc(ccc1)Nc2nc(ncc2C(O)C)SC	4135
+CC(C)(C)OC(Nc1nc(ccc1)C#Cc2cc(N)ccc2)=O	3621
+CC(C)(C)OC(Nc1c2cc(OCC)ccc2ccc1)=O	116
+Nc1c2nc(ccc2c3ccccc3n1)C	7355
+CC(C)(C)OC(=O)Nc1c(cccc1)C(=O)c2ccc(cc2)Cl	705
+c1ccccc1COc2ccc(cc2)N3C(=O)Nc4cccnc34	7356
+Nc1ccnc(Cl)c1C=O	78
+CC(C)(C)OC(=O)N(c1cn2c(cc1)cnc2C(c3cc(c([N+](=O)[O-])cc3)C(OC)=O)=O)C	7357
+CC(C)(C)OC(=O)Nc1ccc(N2Cc3c(CC2)c(C(=O)N)[nH]n3)nc1	314
+c1(c(c(Cl)ncc1N)F)I	473
+CC(C)(C)OC(Nc1c(I)cc(nc1)Cl)=O	916
+CC(C)(C)OC(=O)Nc1ccc2nc(cn2c1)-c3ccc(cc3)Br	440
+CC(C)(C)OC(N(C)c1c(nc(SC)nc1)Oc2ccccc2C)=O	4136
+CC(C)(C)OC(=O)Nc1snc(-c2cc3c(c[nH]c3cc2)I)n1	7358
+CC(C)(C)OC(Nc1cnc(CNC(=O)c2cn(Cc3cc4c(cc3)nc(cc4)C)nn2)c(C)n1)=O	312
+CC(C)(C)OC(Nc1nc(CCNc2ccc(cc2)[N+](=O)[O-])ccc1)=O	60
+CC(C)(C)OC(Nc1cccc(n1)CCN=[N+]=[N-])=O	254
+C1CCN(C1)Cc2nc(N)ccc2	451
+CC(C)(C)OC(=O)Nc1nc(COS(=O)(=O)C)ccc1	7
+CC(C)(C)OC(=O)Nc1nc2c(cc(cc2s1)C=O)-c3cc(ccc3)[N+](=O)[O-]	1295
+CC(C)(C)OC(=O)Nc1nc2c(cc(CO)cc2s1)-c3cccc([N+](=O)[O-])c3	41
+CC(C)(C)OC(Nc1ncc(cc1)C=2NC(ON=2)=O)=O	7359
+CC(C)(C)OC(=O)Nc1ncc(cc1)CO	351
+c1cc(ccc1Cl)S(=O)(=O)C(c2c(C)cnc(c2)N)c3cc(F)ccc3F	451
+CC(C)(C)OC(Nc1ncc(CCl)s1)=O	2814
+n1c(ccc(CN2CCC(O)C2)c1)N	451
+CC(C)(C)OC(Nc1ncc(cc1)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(Nc1ncc(cn1)-c2nc3c(c(N4CCOCC4)n2)cc(F)c(-c5cccc(S(=O)(=O)C)c5)c3)=O	2680
+CC(C)(C)OC(=O)Nc1nccc(CCO)c1	44
+c1cc(ccc1OC)C(Cc2ccnc(N)c2)=O	451
+CC(C)(C)OC(Nc1cc(CCOc2c3ccccc3c(cc2)[N+](=O)[O-])ccn1)=O	57
+CC(C)(C)[Si](C)(C)OCc1cc(NC(=O)OC(C)(C)C)ncc1	19
+CC(C)(C)OC(Nc1nccc(Cl)c1C=O)=O	1031
+c1cc(ccc1F)NC(C2(CC2)C(=O)Nc3c(F)cc(Oc4cc(ncc4)N)c(F)c3)=O	451
+c1ccccc1COC(=O)Nc2ccc(Oc3ccnc(N)c3)c(F)c2	451
+c1(c2c(ccn1)COC2)N	451
+CC(C)(C)OC(=O)Nc1ncnc2c1c(c(n2-c3cccc(N)c3)Cl)-c4ccc(cc4)Cl	0
+CC(C)(C)OC(N(c1ncsc1)S(=O)(=O)c2c(cc(c(F)c2)F)F)=O	7360
+CC(C)(C)OC(Nc1c(C(O)=O)c2ncc(cc2o1)CC)=O	6
+CC(C)(C)OC(=O)Nc1onc(c1)C(C)(C)CNC	110
+CC(C)(C)OC(=O)Nc1onc(C(C)(C)C=O)c1	24
+CC(C)(C)OC(Nc1onc(C(C)(C)CN(C)C(C)=O)c1)=O	58
+c1c(ccc(-c2cc(C(=O)OC)c(N)s2)c1F)F	2813
+c1(c(C(=O)c2ccccn2)sc(N)n1)-c3occc3	1398
+C1COCCN1Cc2sc(N)nc2-c3occc3	1398
+CC(C)(C)OC(=O)Nc1sc(nc1C(Nc2cnn(C)c2C3CCC(CC3)O)=O)-c4c(F)cccc4F	100
+Fc1cccc(F)c1-c2sc(N)c(C(Nc3c(C4CCC(CC4)N)n(C)nc3)=O)n2	2808
+CC(C)(C)OC(=O)Nc1sc(nc1C(Nc2cnn(C)c2C3CCC(CC3)N)=O)-c4c(F)cccc4F	18
+CC(C)(C)OC(=O)Nc1sc(nc1C(Nc2cnn(C)c2C3CCC(CC3)N=[N+]=[N-])=O)-c4c(F)cccc4F	2135
+CC(C)(C)OC(Nc1c(C(=O)O)nc(s1)-c2ccccc2)=O	6
+CC(C)(C)OC(=O)Nc1nc2c(s1)cc(Cn3ccnc3)cc2-c4cccc([N+](=O)[O-])c4	371
+CC(C)(C)OC(=O)Nc1sc2ccc(nc2c1C(O)=O)-c3ccccc3	6
+CC(C)(C)OC(=O)Nc1sc2c(nc(cc2)-c3ccccc3)c1C(=O)OCC	691
+c1cc(ccc1F)OCCc2csc(N)n2	1398
+CC(C)(C)OC(Nc1nc(CN(C)C(c2nccnc2C)=O)cs1)=O	777
+CC(C)(C)OC(=O)Nc1snc(n1)-c2cc3c(cn(S(=O)(=O)c4ccc(cc4)C)c3cc2)I	367
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(-c4nc(N)sn4)ccc23)-c5cccc(OC(C)C)n5)C	1398
+CC(C)(C)OC(=O)Nc1snc(-c2cc3c(cn(S(=O)(=O)c4ccc(cc4)C)c3cc2)-c5cccc(OC(C)C)n5)n1	7361
+CC(C)(C)OC(N(Cc1ccc2ccccc2c1)n3cccc3)=O	7362
+c1ccccc1C(c2ccccc2)N3CC(C3CC)NC(OC(C)(C)C)=O	3629
+CC(C)(C)OC(=O)N1CCC(CC1)CN(C2C(C2)c3ccc(cc3)Br)C(OC(C)(C)C)=O	23
+CC(C)(C)OC(=O)NCCN(C1CCC(CC1)(O)CC(OCc2ccccc2)=O)C(OC(C)(C)C)=O	23
+CC(C)(C)OC(N(C1CCN(CC1)C(OCc2ccccc2)=O)CCNC(OC(C)(C)C)=O)=O	23
+CC(C)(C)[Si](C)(C)OC1CCCC2C1NCCN2C(OC(C)(C)C)=O	23
+CC(C)(C)OC(=O)NCCCC(C)(C)CO	37
+CC(C)(C)OC(NCC(C)(C)CC(=O)O)=O	37
+CC(C)(C)OC(=O)NCC(C)(C)CN	37
+CC(C)(C)OC(NC(C)(C)Cc1c2c([nH]c1)c(ccc2)OCc3ccccc3)=O	37
+CC(C)(C)OC(NC(C)(C)Cc1cc(Br)ccc1)=O	37
+CC(C)(C)OC(NC(C)(C)C(O)=O)=O	403
+CC(C)(C)OC(=O)NCC(C)(C)N	37
+CC(C)(C)OC(NC(C)(C)CO)=O	37
+CC(C)(C)OC(=O)NC(CO)C(C)(C)c1ccccc1	37
+CC(C)(C)OC(NCCNC(C(C)C)=O)=O	37
+CC(C)(C)OC(NC(C(=O)OCC)CC(Cc1cc2c(cccc2OCCOC)cc1)C(C)C)=O	403
+CC(C)(C)OC(N(CCO)CC(C(C)C)O)=O	23
+CC(C)(C)OC(NC(CO)C(C)C)=O	37
+CC(C)(C)OC(=O)NNc1cc(ccc1Cl)CNC(C(C)C)=O	1609
+CC(C)(C)OC(=O)n1cc(c2c1c(C(=O)OCC)cc(Br)c2)C3CC(C(C)C)SCC3	389
+CC(C)(C)OC(CC(C(OC)=O)CC(C)C)=O	3541
+CC(C)(C)OC(NC(CO)CC(C)C)=O	37
+CC(C)(C)OC(=O)NC(CC(C)C)C(C=C(CCOC1CCCCO1)C(=O)OCC)O	37
+CC(C)(C)OC(NCCC(C)C)=O	37
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(=O)c2c(cc(cc2)-c3sc(c(C)n3)C(OCC)=O)C=1OCCCC	4137
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2c(C=1c3ccccc3F)cc(cc2)OCc4ccccc4)=O	2507
+CC(C)(C)OC(=O)N(C(C)C)CCc1cc(O)ccc1	23
+CC(C)(C)OC(=O)N(Cc1c([N+](=O)[O-])cccc1)C(C)C	23
+CC(C)(C)OC(=O)N(C(C)C)Cc1ccc(cc1)C(OC)=O	23
+CC(C)(C)OC(N(C)Cc1cc([N+](=O)[O-])cc(F)c1SC(C)C)=O	2136
+CC(C)(C)OC(=O)n1c(c(cc1C(=O)OC)Br)C(C)C	1552
+CC(C)(C)OC(Nc1ccc(OCc2n(ncc2C(C)C)-c3c(Cl)cccc3Cl)cc1C)=O	150
+CC(C)(C)OC(NCCc1c([N+](=O)[O-])cc(cc1)C(C)C)=O	37
+CC(C)(C)OC(=O)NC1C(C)(C)C(C(O)=O)C1	7363
+CC(C)(C)OC(NC1(CCC(C1(C)C)Nc2c3n(ncc2C(=O)N)cc(c3)C(OCC)=O)C)=O	37
+CC(C)(C)OC(=O)NC(CN1C(C)(C)CN(C(C1)=O)c2c(C)cccc2)C3CC(CC)C(=O)O3	4138
+CC(C)(C)OC(=O)N1CC(C)(C)c2cnc(Cl)cc12	603
+CC(C)(C)OC(=O)NC(C1CC(C(O1)=O)C)CN2C(C)(C)CN(C(=O)C2)c3cc(F)ccc3Cl	4138
+CC(C)(C)OC(NC(CN1CC(N(c2c(C)cccc2)CC1(C)C)=O)C3CC(C(O3)=O)C)=O	37
+CC(C)(C)OC(N1CC(C)(C)N(CC1C(C)C)Cc2ccccc2)=O	23
+CC(C)(C)OC(=O)N1c2c(C(C)(C)CC1=O)cc(F)cc2	7364
+CC(C)(C)OC(N1c2cc([N+](=O)[O-])ccc2C(C)(C)CC1)=O	603
+CC(C)(C)OC(=O)NC(CC)(CC)C(=O)O	403
+CC(C)(C)OC(NC(CC)CO)=O	37
+CC(C)(C)OC(=O)n1c(c(cc1)C(=O)N(CC)CC)C	1552
+CC(C)(C)OC(NCc1c(O)nc(cc1NCC)C)=O	2751
+CC(C)(C)OC(Nc1nc(C(OCC)=O)cs1)=O	2815
+CC(C)(C)OC(N(CC1C(C1)C(OCC)=O)C)=O	23
+CC(C)(C)OC(NC1CCOCC1C(OCC)=O)=O	37
+CC(C)(C)OC(=O)n1ncc(c1)C(=O)OCC	1687
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2n[nH]c(N=CN(C)C)c2C#N	150
+CC(C)(C)OC(N(CCCCN(C)C)CCC#N)=O	23
+CC(C)(C)OC(=O)Nc1ccc(c(c1)CN(C)C)Br	150
+CC(C)(C)OC(=O)n1ncc2cc(N(C)c3ccnc(n3)Cl)ccc12	868
+CC(C)(C)OC(=O)N(C)Cc1nc2c(cccc2Br)cc1	23
+CC(C)(C)OC(N1CC(CC1C(OC)=O)OC)=O	663
+CC(C)(C)OC(n1c2c(c(OC)ccc2)c(N)n1)=O	868
+CC(C)(C)OC(N1C(C(OC)=O)CN(CC1)C(c2cc(OC)c(c(OC)c2)OC)=O)=O	663
+CC(C)(C)OC(N1CC(C(OC)=O)c2cc(ccc2C1)OC)=O	23
+CC(C)(C)OC(=O)NC(c1cccc(OC)c1)C	37
+CC(C)(C)OC(NC(C[Si](C)(C)C)C(=O)O)=O	403
+CC(C)(C)OC(=O)N1C(C(C1=O)O[Si](C)(C)C)c2ccccc2	7365
+CC(C)(C)OC(=O)NC(c1c(c(C)ccc1)C)CC#C	37
+CC(C)(C)OC(=O)n1ccc2c1c(ccc2)C	389
+CC(C)(C)OC(=O)NCC(C)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)OCC)-c3cc(C)cc(C)c3	37
+CC(C)(C)OC(Nc1ccc(c(-c2ccc(cc2C)C(=O)CC)c1)C)=O	150
+CC(C)(C)OC(=O)NCC(c1c(C)cccc1C)CO	37
+CC(C)(C)OC(Nc1c(-c2c(C)cccc2)ccnc1)=O	970
+CC(C)(C)OC(Nc1c(-c2c(cccc2)C)ncnc1)=O	7366
+CC(C)(C)OC(=O)n1nc(c2ccc(cc12)[N+]([O-])=O)C	868
+CC(C)(C)OC(N1C(CN(CC1)c2nc(c(cc2)[N+]([O-])=O)C)C)=O	23
+CC(C)(C)OC(=O)Nc1cc(c(c(C)n1)C#N)C	718
+CC(C)(C)OC(=O)NCc1ccc(N)nc1C	37
+CC(C)(C)OC(NC(CC(=O)O)c1cccc(Cl)c1Cl)=O	37
+CC(C)(C)OC(N1CCc2c(cc3c(NC(=O)CC3)c2Cl)CC1)=O	23
+CC(C)(C)OC(=O)NCC1Oc2c(Cl)cccc2C1	37
+CC(C)(C)OC(N1Cc2c(C1)c(Cl)sc2Cl)=O	23
+CC(C)(C)OC(=O)N(CC(O)COc1cc(Br)cc(Cl)c1)C	23
+CC(C)(C)OC(Nc1c(ccc(Cl)c1)C=CC(=O)OC)=O	150
+CC(C)(C)OC(Nc1c(cc(Cl)c(Cl)c1)[N+](=O)[O-])=O	150
+CC(C)(C)OC(=O)c1cc(Cl)nc(c1)Cl	1075
+CC(C)(C)OC(=O)NCCc1cncc(c1)Cl	37
+CC(C)(C)OC(=O)n1c2c(C)cc(cc2cc1C(OCC)=O)Cl	389
+CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O	37
+CC(C)(C)OC(=O)n1c(nc2ccccc12)-c3c(ccc(Br)c3)Cl	1399
+CC(C)(C)OC(=O)n1c(C(=O)OC)c(c2ccc(Cl)cc12)NCC(c3ccc(c(c3)F)F)=O	389
+CC(C)(C)OC(=O)N1c2c(C(=Cc3c(OC)cc(F)c(Cl)c3)C1=O)ccc(Cl)c2	1881
+CC(C)(C)OC(=O)N(CCc1ccc2c(NC(=O)C(C)O2)c1)Cc3cc(ccc3)Cl	23
+CC(C)(C)OC(N1CCc2c(CC1)c(O)c(cc2)Cl)=O	4139
+FC(F)(F)C(=O)NCC1CCC(C)(C)CN1C(OC(C)(C)C)=O	1365
+CC(C)(C)OC(=O)N1CC2c3c(cc(C(C)=O)cc3)C(C2)C1	4139
+FC(F)(F)C(NCCN(C1CN(CC1)c2c3nc(ccc3ncc2)OC)C(OC(C)(C)C)=O)=O	23
+FC(F)(F)c1c(OCC)cc(NC(=O)OC(C)(C)C)c([N+]([O-])=O)c1	150
+FC(F)(F)c1cc2N(CCCC(=O)c2cc1C)C(OC(C)(C)C)=O	603
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(cc1)C(F)(F)F)=O	150
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(C)c3cc(Cl)c(cc3)CNC(OC(C)(C)C)=O	1400
+FC(F)(F)c1c(F)cc(C(CN(C(OC(C)(C)C)=O)C)O)cc1	23
+CC(C)(C)OC(=O)NC(C)c1ccc(C(F)(F)F)nc1	37
+CC(C)(C)OC(=O)NC=1COCC(C(F)F)(N=1)c2cc([N+](=O)[O-])cc(F)c2F	2137
+CC(C)(C)OC(NC(COC(F)F)C(O)=O)=O	403
+CC(C)(C)OC(=O)Nc1cc(c2c([nH]c(n2)C(F)F)c1)OC	7367
+CC(C)(C)OC(N1CC(F)(F)C(O)CC1)=O	23
+CC(C)(C)OC(NC(c1cc(c(cc1)F)F)CC(O)=O)=O	37
+CC(C)(C)OC(=O)N(CCO)Cc1c(cccc1)F	23
+CC(C)(C)OC(N1C2C(COC2)n3c(c(c(n3)I)C(=O)OCC)C1)=O	23
+CC(C)(C)OC(=O)n1cc(I)c2c1c(ccn2)Cl	4140
+CC(C)(C)OC(=O)N1CC(n2c3c(c(N)ncn3)c(I)n2)CC1	23
+CC(C)(C)OC(=O)N1CCOCC(n2c3ncnc(N)c3c(I)n2)C1	23
+CC(C)(C)OC(n1nc(C)c(C#N)c1)=O	1687
+CC(C)(C)OC(=O)N(C)Cc1cc([nH]c1)-c2ccccc2F	23
+CC(C)(C)OC(N(CCNCC)CC)=O	23
+CC(C)(C)OC(N1Cc2cccc3C(CCN(C(C1)C)c23)CO)=O	23
+CC(C)(C)OC(=O)N1CC(NCCC1)=O	1568
+CC(C)(C)OC(N1C(CN(C(C)C1)CCCCl)C)=O	23
+CC(C)(C)OC(=O)NC1C(NCCCC1)=O	1245
+CC(C)(C)OC(N1Cc2c3c([nH]c2CC1)c(C)ccc3F)=O	23
+CC(C)(C)OC(N1Cc2c(nc3c(cc(C#N)cc3)c2Cl)CC1)=O	23
+CC(C)(C)OC(N1CCc2ccc(O)cc2C1)=O	23
+CC(C)(C)OC(N1Cc2c(nc(Cl)cc2)CC1)=O	23
+CC(C)(C)OC(N1Cc2cc(-c3cc(F)ccc3)nn2CC1)=O	23
+CC(C)(C)OC(N1NC(=O)c2cccc(F)c12)=O	7368
+CC(C)(C)OC(NC)=O	37
+CC(C)(C)OC(N(Cc1cc(cc(c1O)F)[N+](=O)[O-])C)=O	2136
+CC(C)(C)OC(=O)N(CCOc1c(cccc1)OCC)C(C)Cc2cc3c(c(C(=O)N)c2)N(CCCO)CC3	23
+CC(C)(C)OC(NC(CCC(=O)OC)C(=O)O)=O	403
+CC(C)(C)OC(=O)NC(C(O)=O)Cc1cnc(cc1)Br	403
+CC(C)(C)OC(NC1Cc2c(ccc(O)c2)CC1)=O	37
+CC(C)(C)OC(NCCSSCCN)=O	37
+CC(C)(C)OC(Nc1cc(ccc1C)C#N)=O	150
+CC(C)(C)OC(Nc1c(C)ccc(c1)C(O)C)=O	150
+CC(C)(C)OC(Nc1c(ccc(c1)O)C)=O	150
+CC(C)(C)OC(=O)Nc1ccc(O)cc1F	150
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(c(c1)Cl)C)=O	150
+CC(C)(C)OC(=O)Nc1cc(F)c(C#N)cc1[N+]([O-])=O	150
+CC(C)(C)OC(=O)Nc1cccc2ccc(O)cc12	150
+CC(C)(C)OC(=O)Nc1cc(cc(c1)C)CO	150
+CC(C)(C)OC(=O)Nc1cc([N+]([O-])=O)c(C)cc1	150
+CC(C)(C)OC(=O)Nc1cc(O)c(cc1)C	150
+CC(C)(C)OC(NCCc1c(cc(N)cc1)F)=O	37
+CC(C)(C)OC(=O)N=C1NC(c2c(F)ccc(N)c2)(C)Cn3c(C#N)c(Cl)nc13	2816
+CC(C)(C)OC(Nc1c(C(O)=O)c(ccc1)C)=O	150
+CC(C)(C)OC(=O)Nc1c(C)c(ccc1)F	150
+CC(C)(C)OC(=O)Nc1c(c(ccc1)OC)[N+](=O)[O-]	150
+CC(C)(C)OC(=O)Nc1ccnc(O)n1	718
+CC(C)(C)OC(Nc1cnc(C#N)c(n1)C)=O	7369
+CC(C)(C)OC(Nc1cc(Cl)nc2ccnn12)=O	718
+CC(C)(C)OC(n1nc(N)cc1)=O	1687
+CC(C)(C)OC(=O)Nc1[nH]c2c(c(C)c([N+]([O-])=O)c(C)c2)n1	4141
+CC(C)(C)OC(=O)Nc1cc(Br)ccn1	718
+CC(C)(C)OC(=O)Nc1nccc(CO)c1	718
+CC(C)(C)OC(=O)Nc1nnc(-c2ccc3cnc(F)cc3c2)s1	2815
+CC(C)(C)OC(=O)Nc1nc2c(cc(cc2s1)C#N)-c3cc(ccc3)[N+](=O)[O-]	2815
+CC(C)(C)OC(N(CCC(=O)OCC)C(CC(OCC)=O)C)=O	23
+CC(C)(C)OC(=O)NC(Cc1cccc(c1)O)C(OCC)=O	403
+CC(C)(C)OC(NC(C(O)=O)CC(C)CCOCC=C)=O	403
+CC(C)(C)OC(Nc1c(nccc1)OC)=O	970
+CC(C)(C)OC(=O)NCC(C)C(O)=O	37
+CC(C)(C)OC(NOCC(=O)OC)=O	4142
+CC(C)(C)OC(=O)NC(c1cccc(c1)F)CC(O)=O	37
+CC(C)(C)OC(NC(C(=O)OC)(CF)Cc1cccc(c1)O)=O	403
+CC(C)(C)OC(=O)c1cc(Cl)c(F)cc1Cl	1075
+CC(C)(C)OC(NC(Cc1cc(F)cc(F)c1)c2c(Br)cc(cn2)N3C(=O)c4ccccc4C3=O)=O	37
+CC(C)(C)OC(=O)Oc1c(c(C=O)c(cc1)F)F	4143
+CC(C)(C)OC(n1c2cnc(-n3ncnc3)cc2c(C=O)c1)=O	7370
+CC(C)(C)OC(n1c2cccc(C=O)c2cc1)=O	389
+CC(C)(C)OC(=O)N(c1ccc(cn1)C=O)Cc2ccncc2Cl	1157
+CC(C)(C)OC(Oc1ccccc1C=O)=O	4143
+CC(C)(C)OC(=O)NCCCCS(=O)(=O)NC	37
+CC(C)(C)OC(=O)n1c2c(c(c1)CC(NS(=O)(=O)c3c(C)cc(cc3C)C)C)cccc2	389
+CC(C)(C)OC(NCC(O)CNS(=O)(=O)c1c(Cl)cc(cc1)Cl)=O	37
+CC(C)(C)OC(=O)N(c1ccc(cc1)S(=O)(=O)C)C2CCNC2	603
+CC(C)(C)OC(=O)N=C(c1cc(c(s1)SC)S(=O)(=O)c2cccc(Br)c2)N	7371
+CC(C)(C)OC(=O)N(Cc1cn(S(=O)(=O)c2cnccc2)c3c1ccc(C(OC)=O)c3)C	23
+CC(C)(C)OC(=O)N(Cc1cn(c2cc(Br)ncc12)S(=O)(=O)c3cc(F)ccc3)C	23
+CC(C)(C)OC(N1Cc2c3ccn(c3ccc2OCC1)S(=O)(=O)c4ccccc4)=O	23
+CC(C)(C)OC(NCc1n(S(=O)(=O)CC)ccc1)=O	3835
+CC(C)(C)OC(=O)N1CC2c3c(C(C1)C2)cc(c([N+](=O)[O-])c3)[N+](=O)[O-]	23
+CC(C)(C)OC(NCC(O)C)=O	37
+CC(C)(C)OC(NCCCC(O)C(=O)O)=O	37
+CC(C)(C)OC(NCC(O)COCC)=O	37
+CC(C)(C)OC(=O)N(C)C=1SC2C(C(C(C(CO)O2)O)O)N=1	7372
+CC(C)(C)OC(=O)NC(c1cc(Cl)c(cc1)Cl)CCO	37
+CC(C)(C)OC(=O)N(Cc1ccccc1OC)CCc2c(cc([N+](=O)[O-])c(c2)OC)OC	23
+CC(C)(C)OC(=O)NCc1c(Br)c(C)cc(c1)[N+]([O-])=O	37
+CC(C)(C)OC(NC1C(O)CCC(C(OCC)=O)C1)=O	1401
+CC(C)(C)OC(=O)NC1CC(OC)C(CC1)C(=O)OC	1401
+CC(C)(C)OC(NC1CC=2C(CC1)(C3CCC4(C(C#C)CCC4C3CC=2)C)C)=O	1401
+CC(C)(C)OC(n1c2c(cnc(c2)Br)c(Cl)c1-c3ocnc3)=O	389
+CC(C)(C)OC(N1Cc2cccc3[nH]cc(c23)CC1)=O	23
+CC(C)(C)OC(n1nc(C)cc1)=O	1687
+CC(C)(C)OC(=O)c1cnc(Cl)c(c1)Cl	1075
+CC(C)(C)OC(=O)NC(c1cccc(c1)[N+](=O)[O-])C	37
+CC(C)(C)OC(N(CCO)CC(O)c1cc(C)c([N+](=O)[O-])cc1)=O	23
+CC(C)(C)OC(NCc1c(nc(C)cc1C)OC)=O	37
+CC(C)(C)OC(Nc1cc(C)c(c(c1)C)-c2csc(N)n2)=O	150
+CC(C)(C)OC(N(c1ccc(cc1)C#N)c2nc(c([N+]([O-])=O)c(C=CN(C)C)n2)Oc3c(C)cc(cc3C)Br)=O	7373
+CC(C)(C)OC(=O)N=C1NC2(c3cc(ccc3F)[N+](=O)[O-])CC2CCS1	2720
+CC(C)(C)OC(=O)n1ccc2c1cc(cc2)C=O	389
+CC(C)(C)OC(=O)NCc1sc(C)nn1	37
+CC(C)(C)OC(NCc1c(Cl)c(c(Cl)c(F)c1)N)=O	37
+CC(C)(C)OC(NC(Cc1cc(Cl)c(cc1)O)C(=O)OC)=O	403
+CC(C)(C)OC(Nc1cc(Cl)c(c(Cl)c1)O)=O	150
+CC(C)(C)OC(N1c2cc(Cl)ccc2C(=Cc3cc(ccc3OCC(OC)=O)Cl)C1=O)=O	1881
+CC(C)(C)OC(NC=1SCC2COc3c(cc(c(F)c3)Br)C2(C)N=1)=O	2137
+CC(C)(C)OC(=O)N(CCO)CC(c1cc(F)c(Br)cc1)O	23
+CC(C)(C)OC(Nc1sc(c(c1C#N)C)C(=O)OC)=O	2408
+CC(C)(C)OC(=O)Nc1cc(C)c(c(C)c1C)O	150
+CC(C)(C)OC(Nc1c(C(=O)OC)ccs1)=O	2408
+CC(C)(C)OC(Nc1cccnc1)=O	970
+CC(C)(C)OC(Nc1cc(Cl)ncc1)=O	150
+CC(C)(C)OC(=O)Nc1cnc(cc1)Cl	970
+CC(C)(C)OC(=O)Nc1cnc(cc1)N	970
+CC(C)(C)OC(Nc1cc(OC)cc(c1)OC)=O	150
+CC(C)(C)OC(N(c1cc([N+]([O-])=O)ccc1O)C)=O	603
+CC(C)(C)OC(=O)NC(c1cc([N+](=O)[O-])ccc1)C(OC)=O	403
+CC(C)(C)OC(Nc1ccc(c([N+]([O-])=O)c1)F)=O	150
+CC(C)(C)OC(=O)Nc1c(cc(C(OCC)=O)nc1I)C	970
+CC(C)(C)OC(Nc1c(cc(cc1)OCC)C)=O	150
+CC(C)(C)OC(=O)Nc1ccc(I)cc1C	150
+CC(C)(C)OC(N(C)c1cc(C)c(O)c(C)c1C)=O	603
+CC(C)(C)OC(=O)NC(=N)c1c(cc(O)cn1)O	2137
+CC(C)(C)OC(N1Cc2c(cccc2C1)C#N)=O	23
+CC(C)(C)OC(Nc1cc(c(c2ccccc12)CCOC(=O)C)[N+](=O)[O-])=O	150
+CC(C)(C)OC(n1c2cccc(c2c(C=O)c1)O)=O	389
+CC(C)(C)OC(=O)n1cc(c2nccc(C)c12)I	4140
+CC(C)(C)OC(=O)N(C1CCC(=CC1)c2c3c([nH]c2)ccc([N+](=O)[O-])c3)C	23
+CC(C)(C)OC(=O)N(C1CC=C(CC1)c2c3c([nH]c2)ccc([N+](=O)[O-])c3)CC	23
+CC(C)(C)OC(n1ccc2c(c(C)ccc12)Cl)=O	389
+CC(C)(C)OC(NC(CCO)(C)c1c(F)cc(F)c(c1)Br)=O	37
+CC(C)(C)OC(=O)N(c1ccc(c(F)n1)Br)Cc2cnc(OC)c(F)c2	1157
+CC(C)(C)OC(=O)NC(C(C)O)c1cc(F)c(F)cc1	37
+CC(C)(C)OC(=O)NCc1cc(F)c(cc1F)C#N	37
+CC(C)(C)OC(N(CC(O)c1c(cc(cc1)[N+](=O)[O-])Br)CCO)=O	23
+CC(C)(C)OC(N(Cc1cc(ccc1Oc2cc(Cl)c(cc2)Cl)Br)C)=O	23
+CC(C)(C)OC(NCc1cc(F)c(c(F)c1)Oc2cc(cc(C(OCC)=O)c2)O)=O	1400
+CC(C)(C)OC(=O)Nc1cc(cc(N)c1)Cl	150
+CC(C)(C)OC(NC(C)(c1cccc(Br)c1)CO)=O	37
+CC(C)(C)OC(N(C(CC(=O)OCC)c1cccc(O)c1)C)=O	23
+CC(C)(C)OC(=O)N(CC(c1ccc(nc1)-n2c(ccc2C)C)O)CC3CCc4c(ccc(I)c4)O3	23
+CC(C)(C)OC(N(C(=O)c1sccc1Br)c2c(c(c(OC)cc2)F)F)=O	7374
+CC(C)(C)OC(=O)N(C1c2c(ccc(c2)I)C(CC1)c3ccc(c(Cl)c3)Cl)C	23
+CC(C)(C)OC(=O)NC(CC=C)c1cccc(-c2c([N+](=O)[O-])cnn2C)n1	37
+CC(C)(C)OC(=O)NCCc1cccc(Br)c1	37
+CC(C)(C)OC(=O)NC=1COCC(c2cccc(Br)c2)(N=1)C	2137
+CC(C)(C)OC(=O)N1CCOC(C1)Cc2cccc(c2)Br	23
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+]([O-])=O)OCc2c(cccc2)C(OC)=O	150
+CC(C)(C)OC(NC(CC(OC)=O)c1ccccc1Cl)=O	37
+CC(C)(C)OC(N(C)C(CO)Cc1sccc1)=O	23
+CC(C)(C)OC(=O)Nc1c2n(nc1CC)c(ccc2)Br	7375
+CC(C)(C)OC(=O)N1CCC(CC1)(c2ccc(cc2)Br)CBr	4137
+CC(C)(C)OC(N1CCc2ccc(Cl)c3NCC(c23)C1)=O	23
+CC(C)(C)OC(=O)n1c2cc(Br)cc(N)c2nc1	1399
+CC(C)(C)OC(NCc1nc(OC)c(C#N)c(c1)C)=O	7376
+CC(C)(C)OC(=O)NC1c2ccccc2C(O)CC1	37
+CC(C)(C)OC(=O)N(C1CCC(c2c3ncccc3[nH]c2)=CC1)C	23
+CC(C)(C)OC(Nc1c(Br)c2c(cc1)nccc2)=O	150
+CC(C)(C)OC(=O)n1nc2c(c(nc3cc4ccccc4cc23)O)c1C	7377
+CC(C)(C)OC(=O)N1CCCN(c2n(c3ccccc3n2)CCO)CC1	23
+CC(C)(C)OC(n1cnc2c(c(ccc12)[N+](=O)[O-])C)=O	1399
+CC(C)(C)OC(=O)N1Cc2cc(c(Cl)cc2C1)I	23
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)Oc3nc(ncc3)Cl	389
+CC(C)(C)OC(N(Cc1cc2c([nH]c(c2)C(=O)OC)nc1)Cc3cccc(c3)[N+]([O-])=O)=O	23
+CC(C)(C)OC(N1Cc2n(c3nc(Br)ccc3c2)C(C1)C)=O	23
+CC(C)(C)OC(=O)n1ccc2cc(C#N)ccc12	389
+CC(C)(C)OC(=O)n1ncc2c1cc([N+](=O)[O-])cc2	868
+CC(C)(C)OC(n1c2c(ccc(SC)c2)cc1C)=O	389
+CC(C)(C)OC(n1c2c(nc1)c(CO)ccc2)=O	1399
+CC(C)(C)OC(NC1c2c(cccc2)CC1O)=O	37
+CC(C)(C)OC(N1CC(c2c3cccc4CCCn(c2)c34)C(c5c[nH]c6c5cccc6)C1)=O	23
+CC(C)(C)OC(=O)Nc1ccc(c2ccccc12)O	150
+CC(C)(C)OC(NCC1C(c2c3c(nn(C)c3)ccc2)C1)=O	37
+CC(C)(C)OC(=O)Nc1cc(cc(Br)c1Cl)C#N	150
+CC(C)(C)OC(NC1Cc2c(cc(cc2)Br)CC1)=O	37
+CC(C)(C)OC(=O)NCc1c2c(OC)cc(cc2c(C(OCC)=O)cn1)OC	37
+CC(C)(C)OC(n1c(nc2ccc(cc12)C=O)-c3c(C)cccc3C)=O	1399
+CC(C)(C)OC(N1CCc2[nH]c3c(cc(C)cc3c2C1)C)=O	23
+CC(C)(C)OC(NCc1cccc2c1n(CC(=O)O)cc2)=O	37
+CC(C)(C)OC(=O)N(C)Cc1cc(Oc2c(c3cc([nH]c3cc2)C)F)ncn1	23
+CC(C)(C)OC(=O)N1C(c2cc(F)cc(F)c2)COCC1=O	3877
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(cc1)I)=O	150
+CC(C)(C)OC(=O)Nc1cc(C(O)=O)ccc1	150
+CC(C)(C)OC(Nc1cccc(C#C)c1)=O	150
+CC(C)(C)OC(=O)Nc1cccc(OCOC)c1	150
+CC(C)(C)OC(=O)N(C)c1cc(ncn1)Cl	1157
+CC(C)(C)OC(=O)NNc1ccc(C)c(c1)Cl	1609
+CC(C)(C)OC(Nc1cc(OC)c(c(c1)OC)C)=O	150
+CC(C)(C)OC(n1c(-c2c(ccc(c2)Br)F)nc3c1ccc(OC)c3)=O	1399
+CC(C)(C)OC(n1c(cc(n1)-c2cnc(OC)cc2)N)=O	1687
+CC(C)(C)OC(N(Cc1c(C)c(N)ccc1)CC)=O	23
+CC(C)(C)OC(n1cc2c3c1C(=O)N(C)C=C3c4cc(cc(F)c4NC2)F)=O	1552
+CC(C)(C)OC(NNc1ccc(cc1Cl)F)=O	1609
+CC(C)(C)OC(N(Cc1cc(ccc1)O)CCc2cccc(Cl)c2)=O	23
+CC(C)(C)OC(N=C1SCC2C(COC2C)(c3c(F)ccc(c3)Br)N1)=O	2720
+CC(C)(C)OC(=O)N(Cc1cc(ccc1I)Br)CC	23
+CC(C)(C)OC(Nc1ccc(cc1[N+](=O)[O-])Br)=O	150
+CC(C)(C)OC(N1CC2CC(=O)Nc3cc(Br)ccc3N2CC1)=O	23
+CC(C)(C)OC(=O)N1CCc2c([nH]c3cc(Br)ccc23)C1	23
+CC(C)(C)OC(n1c2c(ccc(c2)Br)c(CC(OCC)=O)c1)=O	389
+CC(C)(C)OC(N=C1CC(=Cc2c(cc(Br)cc2)N1)C(OCC)=O)=O	2816
+CC(C)(C)OC(N1CCc2c3cc(ccc3[nH]c2C1)Br)=O	23
+CC(C)(C)OC(N(C1CC(N(Cc2ccccc2)C1)C(=O)OC)Cc3c(F)cc(cc3)F)=O	2136
+CC(C)(C)OC(NC(Cc1ccc(c(c1)OC)O)C(=O)O)=O	403
+CC(C)(C)OC(NC(c1ncc(F)cc1F)C)=O	37
+CC(C)(C)OC(N(C)C1CCC(c2ccc(c(Cl)c2)Cl)c3ccc(C(=O)OC)cc13)=O	23
+CC(C)(C)OC(N1C(Cc2c(cc(O)cc2)C1)C(O)=O)=O	663
+CC(C)(C)OC(=O)NC1C(=O)Nc2ccccc2CC1	1245
+CC(C)(C)OC(N1CCc2c(cc(cc2)C(=O)OC)C1)=O	23
+CC(C)(C)OC(n1c2cccc([N+](=O)[O-])c2c(n1)Cl)=O	868
+CC(C)(C)OC(NCCc1c2ccccc2[nH]c1)=O	37
+CC(C)(C)OC(=O)NC1Cc2cc(ccc2C1)Br	37
+CC(C)(C)OC(=O)n1c2ccc(C)cc2cc1C#N	389
+CC(C)(C)OC(=O)N1c2ccccc2CCC1	603
+CC(C)(C)OC(N1CCCC1c2cc3ccc(F)cc3nc2Cl)=O	23
+CC(C)(C)OC(NCCc1ccc(Br)cn1)=O	37
+CC(C)(C)OC(=O)N(Cc1cc([N+]([O-])=O)c(cc1)OC)C	23
+CC(C)(C)OC(=O)N1Cc2c(C1)ccc(Cl)n2	23
+CC(C)(C)OC(Nc1ccc2c(c1)cc(OC)cc2)=O	150
+CC(C)(C)OC(n1c(ccc1C(OCC)=O)Br)=O	1552
+CC(C)(C)OC(N1CC(C(c2ccc(c(c2)Cl)Cl)C1)C(OC)=O)=O	23
+CC(C)(C)OC(c1ccc(cc1[N+](=O)[O-])C(OC)=O)=O	1075
+CC(C)(C)OC(=O)NC(C)c1cc2c(n1-c3cccc(F)c3)cccc2	37
+CC(C)(C)OC(NCc1c(c2c(nc1CC(C)C)ccc(Br)c2)-c3ccccc3)=O	37
+CC(C)(C)OC(N(Cc1cn(S(=O)(=O)c2cccc(c2)C(=O)OC)c(-c3ccccc3)c1)C)=O	23
+CC(C)(C)OC(=O)N(C(C)C(F)c1ccccc1)Cc2cc([N+]([O-])=O)ccc2	23
+CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C	23
+CC(C)(C)OC(=O)NCCC(O)c1ccccc1	37
+CC(C)(C)OC(=O)N1C2CC(CC1CC2)(c3ccccc3)C(O)=O	23
+CC(C)(C)OC(=O)NC1C(Oc2ccccc2NC1=O)c3ccccc3	1245
+CC(C)(C)OC(=O)NCC(O)Cc1ccccc1	37
+CC(C)(C)OC(N1CC(C(=O)OCC)(F)C(Cc2ccccc2)C1)=O	1365
+CC(C)(C)OC(=O)N1CC2C(C1CO)CC(C)C2	1365
+CC(C)(C)OC(=O)N1C(C)(C)CN(C2(CCCC2)C1)Cc3ccccc3	23
+CC(C)(C)OC(=O)N1CCC2N(Cc3ccccc3)C(CCC2)C1	23
+CC(C)(C)OC(=O)NCCC1CN(CC1)Cc2ccccc2	37
+CC(C)(C)OC(=O)NCC1CCN(Cc2ccccc2)C1	37
+CC(C)(C)OC(N(C1CN(CC1)Cc2ccccc2)c3ncc(C=CC(=O)OCC)cc3)=O	1157
+CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1CCO	23
+CC(C)(C)OC(=O)N1C(=O)CN(Cc2ccccc2)C(=O)C1CCCC	7378
+CC(C)(C)OC(N(C1C(c2ccc(c(Cl)c2)Cl)CN(Cc3ccccc3)C1)C)=O	23
+CC(C)(C)OC(=O)NCC1(CN(CC1)Cc2ccccc2)O	37
+CC(C)(C)OC(NC1CCC2CN(CC12)Cc3ccccc3)=O	37
+CC(C)(C)OC(N1CCCC2CN(Cc3ccccc3)CC12)=O	23
+CC(C)(C)OC(=O)N1CCC(CC1)(c2cc(nc(Cl)n2)N3CCOCC3C)S(=O)(=O)C4CC4	1365
+CC(C)(C)OC(NC1CN(Cc2ccccc2)CCCC1)=O	37
+CC(C)(C)OC(=O)N(CCN1C=2C(C(N=C(N=2)O)=O)=Nc3cc(c(cc13)Cl)C)Cc4ccccc4	23
+CC(C)(C)OC(=O)NC1C(F)CN(C(=O)OCc2ccccc2)C1	37
+CC(C)(C)OC(NC1CCCCN(C1)C(=O)OCc2ccccc2)=O	37
+CC(C)(C)OC(=O)NCC1CN(C(OCc2ccccc2)=O)CC1=NOC	37
+CC(C)(C)OC(N(C1CCCC(C1O)NC(OCc2ccccc2)=O)C)=O	23
+CC(C)(C)OC(NCC1(c2ccccc2)C(COCc3ccccc3)C1)=O	37
+CC(C)(C)OC(=O)Nc1c(N2C(CC(COCc3ccccc3)C2)=O)nn(C)c1	7379
+CC(C)(C)OC(NCC(C)OCCOCc1ccccc1)=O	1401
+CC(C)(C)OC(NC(C(=O)O)C(C)(C)SCc1ccccc1)=O	403
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(-c3ccc(cc3)OC)c(-c4ccc(cc4)OC)[nH]2	23
+CC(C)(C)OC(=O)n1c2c(cc(-c3ccc(cc3)C#N)cc2)cc1	389
+CC(C)(C)OC(=O)Nc1ccc(cn1)-c2ccc(cc2)C(OC)=O	718
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2csc(n2)N	37
+CC(C)(C)OC(=O)NCc1ccc(cc1)-c2csc(n2)N	1400
+CC(C)(C)OC(NCc1c2c(ccc1)c(O)nc(-c3ccc(cc3)CN4CCN(CC4)C)c2)=O	1400
+CC(C)(C)OC(Nc1c2c(nn(-c3ccc(cc3)[N+]([O-])=O)c2ncn1)I)=O	718
+CC(C)(C)OC(=O)N1CC2CC2(c3ccc(cc3)Br)C1	23
+CC(C)(C)OC(=O)N(CC(c1cccnc1)O)CCCc2ccc(cc2)Br	23
+CC(C)(C)OC(=O)N(CC(O)c1cccnc1)CCc2ccc(cc2)Br	23
+CC(C)(C)OC(=O)NCc1ccc(cc1)N2C(=O)OC(C(=O)O)C2	1400
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)C#N)=O	23
+CC(C)(C)OC(N(c1cc(C)c(cc1)Br)c2ccc(cc2)C#N)=O	7380
+CC(C)(C)OC(=O)NCCc1ccc(cc1)C(=O)O	37
+CC(C)(C)OC(NCC(C)(C)c1ccc(cc1)[N+](=O)[O-])=O	37
+CC(C)(C)OC(N(C)CC(CC=C)c1ccc(cc1)F)=O	23
+CC(C)(C)OC(=O)NCc1ccc(cc1)C(OC)=O	37
+CC(C)(C)OC(NCc1c(-c2ccc(cc2)C)c(c(C)nc1CC(C)C)C(OC)=O)=O	37
+CC(C)(C)OC(NCc1c(-c2ccc(cc2)C)c3cc(ccc3nc1CC(C)C)O)=O	2751
+CC(C)(C)OC(=O)NC1(CCCC1NS(=O)(=O)c2ccc(cc2)C)C	37
+CC(C)(C)OC(N1Cc2c3c(c(Sc4ccc(cc4)C)ccc3)[nH]c2CC1)=O	23
+CC(C)(C)OC(=O)NCc1ccc(cc1)C2(CCCCC2)O	1400
+CC(C)(C)OC(NC1CC1c2ccc(cc2)O)=O	37
+CC(C)(C)OC(N1CC(c2ccc(cc2)Br)CC1)=O	23
+CC(C)(C)OC(N1CC(c2ccc(cc2)N)SCC1)=O	23
+CC(C)(C)OC(=O)NCc1ccc(cc1)CC(=O)O	37
+CC(C)(C)OC(=O)NCCC1(CCCC1)C(=O)NC(Cc2ccc(cc2)[N+]([O-])=O)C(OC)=O	37
+CC(C)(C)OC(N1CCOC(Cc2ccc(cc2)OCc3ccccc3)C1)=O	23
+CC(C)(C)OC(=O)NCCc1ccc(cc1)N	37
+CC(C)(C)OC(=O)N(CCc1ccc(cc1)O)Cc2ccccc2	23
+CC(C)(C)OC(Nc1ccc(cc1)CCO)=O	150
+CC(C)(C)OC(=O)Nc1ccc(cc1)CCc2c(Cc3ccc(cc3)S(=O)(=O)C)sc(NC(C)=O)n2	150
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)CF)C(O)=O	403
+CC(C)(C)OC(NCc1ccc(cc1)CNC(N2CCN(CC2)C(=O)CNC(OCc3ccccc3)=O)=O)=O	37
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)[N+]([O-])=O	23
+CC(C)(C)OC(=O)Nc1ncnc2n(-c3cccc([N+](=O)[O-])c3)c(c(-c4ccc(cc4)Cl)c12)Cl	718
+CC(C)(C)OC(NCC(c1ccc(cc1)Cl)CC(O)=O)=O	37
+CC(C)(C)OC(N1CCC(CC1)(c2ccc(cc2)Cl)C(=O)C)=O	23
+CC(C)(C)OC(=O)N(CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F)CC(=O)OCC	663
+CC(C)(C)OC(=O)N1CC(C(c2ccc(cc2)F)CC1)CO	1688
+CC(C)(C)OC(=O)N(CCc1ccc([N+](=O)[O-])cc1Cl)Cc2ccc(cc2)F	23
+CC(C)(C)OC(=O)Nc1ccc(cc1)CO	150
+CC(C)(C)OC(=O)Nc1ccc(cc1)I	150
+CC(C)(C)OC(=O)Nc1ccc(cc1)Sc2ccc(cc2[N+](=O)[O-])C(=O)OC	150
+CC(C)(C)OC(NC1CN(CC1)c2ccc(cc2)C(OC)=O)=O	37
+CC(C)(C)OC(=O)Nc1ccc(cc1)N2CCN(CC2)C	150
+CC(C)(C)OC(=O)NCCN1CCN(CC1)c2ccc(cc2)[N+]([O-])=O	1401
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)O)C	37
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC#CC)C(=O)O	403
+CC(C)(C)OC(NC(C)(C)COc1ccc(cc1)C#N)=O	37
+CC(C)(C)OC(NCC(CCOc1ccc(cc1)C#N)O)=O	37
+CC(C)(C)OC(NCCOc1ccc(cc1)[N+]([O-])=O)=O	37
+CC(C)(C)OC(N(CCc1ccccn1)c2ccc(cc2)[N+]([O-])=O)=O	603
+CC(C)(C)OC(NCCOCCOCCOCCOc1ccc(cc1)[N+](=O)[O-])=O	37
+CC(C)(C)OC(N(CCO)CC(c1ccc(cc1)[N+]([O-])=O)O)=O	23
+CC(C)(C)OC(=O)N(CCc1ccc(cc1)[N+]([O-])=O)Cc2ccccc2	2136
+CC(C)(C)OC(=O)N(CCOc1ccc(cc1)[N+]([O-])=O)CC	23
+CC(C)(C)OC(N=C1NC(c2ccncc2)(c3cccnc13)c4cc(ccc4)O)=O	2816
+CC(C)(C)OC(c1ccc(cn1)C(OC)=O)=O	1075
+CC(C)(C)OC(Nc1ncc(cc1)Br)=O	718
+CC(C)(C)OC(=O)N1c2ccc(Br)cc2CC1	603
+CC(C)(C)OC(=O)NC1Cc2cc(O)ccc2C1	37
+CC(C)(C)OC(=O)N(CCc1ncccc1)Cc2cc(ccc2)CCOC3OCCCC3	23
+CC(C)(C)OC(NNc1cc(ccc1)C(OC)=O)=O	1609
+CC(C)(C)OC(=O)N(Cc1cc(ccc1)CCO)Cc2ccccc2O	23
+CC(C)(C)OC(=O)N(CC(C(O)C1CCCCC1)N2C(c3ccccc3C2=O)=O)C	23
+CC(C)(C)OC(=O)n1ccnc1CCNC(c2ccccc2N)=O	7381
+CC(C)(C)OC(=O)N1CCC(CC1c2ccccc2OC)O	23
+CC(C)(C)OC(=O)n1nc(c2cc([N+](=O)[O-])ccc12)-c3ccccc3	868
+CC(C)(C)OC(NC(c1nc2c(cc(F)cc2)c(c1-c3ccccc3)C(=O)OC)C)=O	37
+CC(C)(C)OC(Nc1ccc(-c2ccccc2)nc1Br)=O	970
+CC(C)(C)OC(=O)N(C1CCC(C(=O)O)C1)Cc2ccc(cc2)-c3ccccc3	23
+CC(C)(C)OC(=O)NCC(C1CC1)NC(c2ccccc2)C	37
+CC(C)(C)OC(=O)NCC(c1ccccc1)O	37
+CC(C)(C)OC(=O)NC(c1ccccc1)COc2ccc(c(N)c2)[N+]([O-])=O	37
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CNC(OC(C)(C)C)=O	37
+CC(C)(C)OC(=O)N1CCC(CC1)(c2ccccc2)C(O)=O	23
+CC(C)(C)OC(NC1CCCC(NC1=O)c2ccccc2)=O	7382
+CC(C)(C)OC(=O)N1CCCC(c2ccccc2)C1C(=O)O	663
+CC(C)(C)OC(=O)N1CCNC(c2ccccc2)C1	23
+CC(C)(C)OC(NC(Cc1ccccc1)CCCc2ccccc2C(=O)OC)=O	37
+CC(C)(C)OC(NC(Cc1ccccc1)(CO)C)=O	37
+CC(C)(C)OC(N1CC(C(=O)OCC)(F)C(Cc2ccccc2)C1)=O	23
+CC(C)(C)OC(=O)NC1C(N(Cc2ccccc2)C(CC1)=O)c3c(ccc(c3)F)F	7383
+CC(C)(C)OC(=O)N1CCC2(N(Cc3ccccc3)CCC2)C1	23
+CC(C)(C)OC(=O)N(C(C)C)C1CCN(CC1)Cc2ccccc2	23
+CC(C)(C)OC(=O)N1Cc2c(ncn2CC1)C(=O)OC	1365
+CC(C)(C)OC(=O)N(CCN(S(=O)(=O)C)c1cc2C(=O)N(C(c2cc1)=O)CC(=O)OCc3ccccc3)CCOC	23
+CC(C)(C)OC(=O)NC1CCC(C)N(C(=O)OCc2ccccc2)CC1O	37
+CC(C)(C)OC(NCC1(C)C(C)(C)C(NC(OCc2ccccc2)=O)CC1)=O	37
+CC(C)(C)OC(=O)NOC(Cc1ccccc1)C(OCc2ccccc2)=O	4142
+CC(C)(C)OC(N(CCO)C1CCC(CC1)N(C)C)=O	1688
+CC(C)(C)OC(N1C(CCC(O)C1)C)=O	1688
+CC(C)(C)OC(N1CCN(C)CC1C(N(C)OC)=O)=O	1688
+CC(C)(C)OC(N(C1C(O)CN(C(OCc2ccccc2)=O)CC1)Cc3ncc4OCCOc4c3)=O	23
+CC(C)(C)OC(=O)Nc1cc2c(cc1OC)C34CCCCC3C(C2)N(CC4)C(OCc5ccccc5)=O	150
+CC(C)(C)OC(=O)NC(C)Cn1c2c(ccc3OCC(Oc23)CO)cn1	1688
+CC(C)(C)OC(NCC1C(NC(=O)OCc2ccccc2)CCN1C(=O)OCc3ccccc3)=O	1401
+CC(C)(C)OC(=O)NC12C3CC(CC(C3)C1)(COCc4ccccc4)C2	37
+CC(C)(C)OC(NC1(CC1)CCOCc2ccccc2)=O	37
+CC(C)(C)OC(NCCc1c(cc(C(C)C)cc1)OCc2ccccc2)=O	37
+CC(C)(C)OC(=O)NCc1c(cc(cc1)F)OCc2ccccc2	37
+CC(C)(C)OC(NC(C)(C)CNc1c2c(ccc(c2)OCc3ccccc3)ncc1[N+](=O)[O-])=O	37
+CC(C)(C)OC(N1CC(c2cc(OCc3ccccc3)ccc2C1)O)=O	23
+CC(C)(C)OC(=O)N1Cc2ccc(cc2OCC1)OCc3ccccc3	23
+CC(C)(C)OC(=O)NCCC(c1ccc(cc1)N(C)c2ccc(cc2)OCc3ccccc3)C	37
+CC(C)(C)OC(=O)NCC1=C(c2c(ccc(c2)OCc3ccccc3)C(=O)N1CC(C)C)OCCCC	2507
+CC(C)(C)OC(N1CC2C(C1)c3c(CO2)cc(cc3)OCc4ccccc4)=O	23
+CC(C)(C)OC(Nc1c(OCc2ccccc2)cccc1F)=O	150
+CC(C)(C)OC(=O)NCCC(c1cc(ccc1)OCc2ccccc2)O	37
+CC(C)(C)OC(=O)n1c(cc2c(OCc3ccccc3)cccc12)C(OCC)=O	389
+CC(C)(C)OC(NCc1nc2c(n1Cc3ccccc3)C(=O)N(C(=O)N2C)CCCCC(O)C)=O	37
+CC(C)(C)OC(N1CCCC(N(C(=O)CC)c2ccccc2)C1)=O	23
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(c(c2)[N+]([O-])=O)Sc3ccccc3	23
+CC(C)(C)OC(=O)Nc1cc(c(-n2cccc2)cc1[N+](=O)[O-])OCCOC	150
+CC(C)(C)OC(=O)Nc1ncc(cc1)C	718
+CC(C)(C)OC(=O)n1c2ccccc2cc1-c3cnco3	389
+CC(C)(C)OC(=O)n1c2cc([N+]([O-])=O)c(cc2c(I)n1)C	868
+CC(C)(C)OC(=O)n1nc(c2ccc([N+]([O-])=O)cc12)I	868
+CC(C)(C)OC(NC1CCCN(C1)c2nc(Cl)nc3CCCCc23)=O	37
+CC(C)(C)OC(Nc1n(c2ccc(Nc3nc(ncc3)Cl)cc2n1)C)=O	4141
+CC(C)(C)OC(N(CC)Cc1c(c(Br)cnc1)C)=O	23
+CC(C)(C)OC(=O)N1CCc2nc3ccnn3c(Cl)c2CC1	23
+CC(C)(C)OC(=O)N(CCCCC(OC)=O)c1ncccc1	1157
+CC(C)(C)OC(=O)N1Cc2n(cnn2)CC1	23
+CC(C)(C)OC(N(Cc1ccc(s1)C(OC)=O)C)=O	23
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(c3s2)Oc4ccc([N+]([O-])=O)cc4F)cc1)CCOC	23
+CC(C)(C)OC(N(CCOC)Cc1n(c(nc1)-c2cc3c(c(Oc4ccc([N+]([O-])=O)cc4F)ccn3)s2)C)=O	23
+CC(C)(C)OC(=O)Oc1ccc(c(C#CC(C)(C)O)c1)-c2cc(OC)ccc2F	4144
+CC(C)(C)OC(=O)Oc1cc(c(cc1)-c2c(ccc(OC)c2)F)C#CC(C)(C)OC	4145
+CC(C)(C)OC(=O)NCC(C)(C)N	7384
+C(C)OC(c1ncc(C(=O)O)[nH]1)=O	153
+c1(C)c(C(=O)O)ncc(C#N)c1	153
+CC(C)(C)Cc1nc(c(c(c1C#N)-c2ccc(cc2)C)C(O)=O)C	153
+CC(C)(C)OC(c1ccccc1CN2C(=O)C3(CCN(CC3)CCCC(=O)c4ccccc4)N(c5ccccc5)C2)=O	183
+CC(C)(C)OC(=O)c1cc(C2CC2)c(OCC3(CCC4(CC3)OCCO4)C)cc1F	2530
+c1cc(ccc1-c2c(C(=O)NC)c3cc(c(cc3o2)CC(=O)OC)-c4cc(C(O)=O)c(F)cc4)F	153
+Nc1c(C(=O)O)ncc(C#N)c1	153
+C1CCC(C1)Sc2c(C(O)=O)cnn2-c3ccc(cc3)C(OC)=O	153
+O=C(c1cc(-c2ccccc2[N+]([O-])=O)[nH]c1C)O	153
+C(C)OC(c1c2cccnn2c(C(=O)O)c1C)=O	153
+C1CC1c2ncc(cc2Cl)Oc3c(cc(C(=O)O)c(c3)Cl)Cl	153
+CC(C)(C)OC(=O)c1nc(n(c1C)-c2ccc(cc2)[N+]([O-])=O)-c3c(cccc3)Cl	431
+c1cc(ccc1-c2c(C)cc(C(=O)O)cc2)C#N	153
+CC(C)(C)OC(=O)c1cc(C2CC2)c(OCC3(CCC(CC3)O)C)cc1F	100
+CC(C)(C)OC(=O)c1cc(C2CC2)c(OCC3(CCC(CC3)=O)C)cc1F	97
+CC(C)(C)OC(c1cc(C)nc(CC)c1)=O	7385
+CC(C)(C)OC(=O)c1cc(Cl)nc(c1)N(C)C	43
+CC(C)(C)OC(c1cc(Cl)nc(NN)c1)=O	383
+CC(C)(C)OC(c1cc(C=C)nc(N(C)C)c1)=O	3354
+CC(C)(C)CNC(c1cc(c(-c2c(C)c(F)cc(C(OC(C)(C)C)=O)c2)cc1)C(=O)O)=O	1
+C1CC1(C(=O)OCC)c2ccc(cc2)-c3c(OC)cc(-c4sc(cc4C(O)=O)F)cc3	153
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OCC)-c4c(C(=O)O)cc(F)s4	153
+C1CC(CCC1)c2c-3n(c4cc(C(O)=O)ccc24)CC(C(=O)OC)=Cc5cc(OC)ccc-35	153
+C(c1ccc2c(c1)ccn2-c3ccc(CC(OC)=O)cc3C#N)(=O)O	153
+c1c(c(ccc1)F)-c2ccc(C(=O)O)cn2	153
+CC(C)(C)OC(=O)c1ccc(nc1Cl)-c2cc(cc(F)c2)OCC(C)C	140
+O=S1(=O)N(CCOC1)c2cc(c(cc2)C(O)=O)Cl	153
+CC(C)(C)OC(c1ccc(NC2CCNCC2)c(c1)[N+](=O)[O-])=O	2
+c1cc(ccc1C(=O)O)C#CC#N	153
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(Nc2ccccc2)=O)CNC(C)=O	33
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(OC)=O)CNC(C)=O	68
+c1ccccc1NC(=O)C(c2ccc(cc2)C(=O)O)CNC(C)=O	153
+c1cc(ccc1C(=O)O)C(C(OC)=O)CNC(=O)NC	153
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(=O)O)CNC(=O)C	4
+c1ccccc1C2=C(N(Cc3ccc(cc3)C(O)=O)C(c4ccc(C(=O)N)cc24)=O)C(=O)OC	153
+CC(C)(C)OC(=O)c1ccc(cc1)CN2C(c3c(cc(C(=O)O)cc3)C(=C2C(=O)OC)c4ccccc4)=O	1
+CC(C)(C)OC(=O)c1ccc(cc1)CN2C(=C(c3ccccc3)c4c(ccc(C(=O)N)c4)C2=O)C(=O)OC	169
+CC(C)(C)OC(c1ccc(cc1)NC(c2cc(ccc2)-c3cc(c4ncnn4c3)Nc5ccc(c(n5)OC)OC)=O)=O	7386
+CC(C)(C)OC(=O)c1ccc(cc1)NCCNS(=O)(=O)c2ncn(C)c2	4146
+CC(C)(C)OC(=O)c1ccc(cc1)NCCN(S(=O)(=O)c2ncn(C)c2)Cc3ccccc3	692
+CC(C)(C)OC(c1c(O)cc(OC(=O)c2ccc(cc2)-c3ccccc3)cc1)=O	1039
+CC(C)COc1cc(F)cc(-c2nc(Cl)c(cc2)C(O)=O)c1	153
+CC(C)(C)OC(=O)c1ccc2c(CCC2Nc3cc(C(OC)=O)nc4ccnn34)c1C	1005
+C(OC)(c1cc(ccc1[N+]([O-])=O)C(=O)c2ncc3ccc(C(=O)O)cn23)=O	153
+CC(C)(C)OC(c1nc(-c2ccc3N(C)CCNc3c2)ccc1)=O	245
+CC(C)(C)OC(=O)c1ccccc1N2C(C3(CCN(CC3)CCCC(=O)c4ccccc4)N(c5ccccc5)C2)=O	183
+c1ccccc1N2CN(c3ccccc3C(O)=O)C(=O)C24CCN(CC4)CCCC(=O)c5ccccc5	153
+CC(C)(C)OC(=O)c1ccccc1N2C(=O)C3(CCNCC3)N(c4ccccc4)C2	62
+CC(C)(C)OC(c1nnn(CC(F)C#Cc2cc3cc(-c4c(cccc4)F)[nH]c3nn2)c1)=O	4147
+CC(C)(C)OC(c1cnc(NN)c(Cl)c1)=O	383
+C1CN(CCC1NC(=O)c2cnc(-c3cc(F)ccc3)cc2)c4ncc(C(=O)O)cc4	153
+c12c(N(CCN1C(Nc3sc4c(cccc4)n3)=O)C)ccc(-c5nc(ccc5)C(=O)O)c2	153
+c1cc(ccc1)COc2c(nc(CC3(CCCC3)c4ncccc4)nc2O)C(O)=O	153
+c1cc(ccc1[N+]([O-])=O)-n2c(C)c(C(O)=O)nc2-c3ccccc3Cl	153
+CC(C)(C)OC(c1nccc(Oc2ccc(N)c(c2)F)c1)=O	242
+CC(C)(C)OC(n1c2c(cc1-c3c(Cl)nc4ccccc4c3)cc(C=O)cc2)=O	39
+c1cc(ccc1C(=O)C)Oc2cc(-c3ccc(-c4nccs4)[nH]3)cc(c2)OC(COC)C	2817
+O=S(=O)(NC1CCCCC1)c2c(ccc(c2)-c3cc4cccc(Cl)c4[nH]3)Cl	535
+CC(C)(C)OC(n1c(-c2ccc(cc2)S(=O)(=O)Nc3ccc(cc3C(=O)c4ccncc4)Cl)ccc1)=O	3839
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(=O)OCC)Cl)CC#N	1689
+O=S(=O)(c1cc2c(cc(C)[nH]2)cc1)C	535
+FC(F)(c1ccc(F)cn1)c2nc(Nc3cc(n[nH]3)C)c4c(n2)cc(cc4)OC	921
+CC(C)(C)OC(=O)n1c2cccc(O)c2cc1C(OCC)=O	16
+C(C)OC(c1cc2c(cccc2[nH]1)OCc3c4ccc(cc4oc3)F)=O	535
+CC(C)(C)OC(=O)n1c2c(cc1C(OC)=O)cc(cc2[N+]([O-])=O)COC(=O)C	283
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(OC)=O)CN3C(=O)c4ccccc4C3=O)[N+]([O-])=O	1930
+c1ccccc1S(=O)(=O)Nc2cc(-c3[nH]c4c(cccc4)c3)ccc2Cl	535
+c1c(O)cccc1Nc2oc(-c3cc4ccccc4[nH]3)cn2	535
+c1cc(ccc1-c2[nH]c(cc2)C#N)NS(=O)(=O)CC	2817
+CC(C)(C)OC(n1c2ccccc2nc1-c3c(Cl)ccc(N4CC(CCC4)C(=O)OCC)c3)=O	79
+CC(C)(C)OC(n1c2c(cc(NC(=S)NCCN)c(C)c2nc1)F)=O	1167
+CC(C)(c1c2c([nH]c1)cccc2)C#N	535
+CC(C)(C)OC(n1c2ccccc2c(CC(C)N(S(=O)(=O)c3c(C)cc(cc3C)C)C)c1)=O	693
+c1ccccc1-c2c3c(ccc(c3)NS(=O)(=O)c4cc(F)ccc4)n[nH]2	922
+C1CC1Nc2nc(Nc3cc4c(cc3)c(C)[nH]n4)nc5c2occ5	922
+c12[nH]c3C(CCCc3c1c(c(Cl)cc2)Cl)=O	535
+CC(C)(C)OC(=O)n1c2ccc(-c3noc(-c4cc(c(cc4)OC(C)C)C#N)n3)cc2cc1	529
+CC(C)(C)OC(=O)n1c(-c2ccc(c(S(=O)(=O)NC3CCCCC3)c2)Cl)cc4cccc(Cl)c14	7387
+c12cc(ccc1nc[nH]2)Nc3nc(Br)cn4ccnc34	4148
+c1(n[nH]c2c(F)cccc12)OC	922
+c1c(c2[nH]ccc2cc1)CSC	535
+CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(nc4cc(c(cc34)OC(C)=O)OC)-c5cc(ccc5)[N+](=O)[O-])ccc12	73
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(-c4cccc([N+]([O-])=O)c4)nc5ccccc35)c2	73
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(nc4ccccc34)-c5cccc(c5)OC(C)=O)c2	73
+CC(C)(C)OC(n1cnc2c1cc(Br)cc2NCCC(F)(F)F)=O	839
+CC(C)(C)OC(n1c2cc([N+]([O-])=O)c(cc2c(-c3ccccc3)n1)C)=O	1196
+CC(C)Oc1ccc(cc1C#N)-c2nc(no2)-c3ccc4c(cc[nH]4)c3	535
+FC(F)Oc1cc2c([nH]nc2cc1)I	922
+C(C)N(CC)CCCCOc1cc2cc[nH]c2cc1	535
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)Oc3nc(Nc4cccc(N)c4)ncc3	0
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)Oc3nc(Nc4cccc(c4)[N+]([O-])=O)ncc3	55
+CC(C)(C)OC(=O)n1nc(c2c(N)ccc(Cl)c12)Cl	7388
+CC(C)(C)OC(=O)n1c2ccccc2cc1-c3oc(nc3)Cl	2138
+CC(C)(C)OC(=O)n1c(cc2ccccc12)-c3cnc(Nc4cc(ccc4)O)o3	4149
+O(CC)C(C=Cc1c2cc(-n3ncnc3)ncc2[nH]c1)=O	7389
+C(C1CC1c2ncc(OC)cc2)Oc3c(-c4c[nH]nc4)cnc(n3)C	921
+c1cc(ccc1)Oc2c(ccc3c2CCC(C)N3C(C4CC4)=O)-c5c[nH]nc5	921
+CC(C)(C)OC(=O)n1ncc(C=O)c1	576
+CC(C)(C)OC(=O)n1cc(CCCCCc2cn(nn2)CCNC(CCCCCCCCCCC)=O)nc1N	642
+CC(C)(C)OC(n1c(N)nc(c1)CCCCCc2cn(CCNC(c3ccccc3I)=O)nn2)=O	642
+CC(C)(C)OC(n1ccc2ccc(cc12)CO)=O	41
+CC(C)(C)OC(=O)n1c2c(cc1)cc(cc2)C(NO)=N	181
+CC(C)(C)OC(n1cnc2c(c(N)cc(F)c12)C)=O	0
+CC(C)(C)OC(=O)n1c2cc(Nc3ccccc3Cl)c(C)cc2c(n1)-c4ccccc4	230
+c1nc(ncc1)-c2c(Nc3c4c(c(cc3)Cl)n[nH]c4CCCN)c5c(o2)cncc5	922
+CC(C)(C)OC(=O)n1nc(c2cc(C3C(=C(C)NC(=C3C#N)C)C#N)ccc12)NS(=O)(=O)CCC	802
+C1(=C(C#N)C(C(=C(C)N1)C#N)c2ccc3n[nH]c(NS(=O)(=O)CCC)c3c2)C	922
+CC(C)(C)OC(n1c2ccc(N)cc2c(-c3ccccc3)n1)=O	0
+CC(C)(C)OC(n1nc(-c2ccccc2)c3ccc(cc13)N)=O	0
+CC(C)(C)OC(=O)n1nc(c2ccc([N+]([O-])=O)cc12)-c3ccccc3	1196
+CC(C)(C)OC(n1nc(C)c2ccc(cc12)N)=O	0
+CC(C)(C)OC(=O)n1ncc(CNc2cnc(C(C)C)cc2)c1	4150
+CC(C)(C)OC(=O)n1cc(cn1)CO	536
+CC(C)(C)OC(n1c2c(cn1)ccc(c2)N)=O	0
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(nc4ccccc34)-c5cccc(OCC(=O)NCCN(C)C)c5)c2	648
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(-c4cc(OCc5occn5)ccc4)nc6ccccc36)c2	4151
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(-c4cccc(OCc5nccn5C)c4)nc6ccccc36)c2	2818
+c12c(ccc(c1)Nc3nc(nc4c3cccc4)-c5cc(OCc6nccn6C)ccc5)n[nH]c2	922
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(nc4ccccc34)-c5cc(ccc5)N)c2	0
+CN(C)CCNC(=O)COc1cccc(c1)-c2nc3c(cccc3)c(Nc4cc5cn[nH]c5cc4)n2	922
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3c4ccccc4nc(-c5cccc(c5)O)n3)c2	173
+CC(C)(C)OC(=O)n1ncc2c1ccc(c2)N(C)c3nc(-c4cc(ccc4)OCC(=O)NC(C)C)ncc3	261
+CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(nc4cc(OC)c(O)cc34)-c5cc(ccc5)[N+](=O)[O-])ccc12	173
+C1CC1NC(c2cc(c(C)c(F)c2)-c3ccc4c(c[nH]n4)c3)=O	922
+CC(C)(C)OC(c1cn(nn1)CC(COCc2ccccc2)O)=O	2342
+CC(C)(C)OC(=O)c1c(nc(-c2ccccc2Cl)[nH]1)C	4152
+CC(C)(C)OC(C1=C(c2c(C(N1C)=O)cc(CNS(=O)(=O)N(C)C)cc2)c3ccc(c(C)c3)C)C(=O)OC	7390
+CC(C)(C)OC(C(=O)OC)c1c(-c2cc3CCCOc3cc2)sc(C)n1	836
+CC(C)(C)OC(C(OCC)=O)c1c(cc(-c2ccccc2)s1)Br	268
+CC(C)(C)OC(=O)C(NC(C(OCC)=O)CSCCCCCCC)C	7391
+CC(C)(C)OC(C(n1c(cc2c(c(C#N)ccc12)Cl)C(F)F)C)=O	3317
+CC(C)(C)OC(C(Oc1ccc(C#N)c(c1)F)C)=O	289
+O=S(=O)(c1cc(Cl)ccc1C(=O)CC(C2CC2)=O)C	4068
+CC(C)(C)OC(=O)C(CNS(=O)(=O)c1c([N+]([O-])=O)cccc1)C(=O)OC	71
+CC(C)(C)OC(C(C)(C)Cc1ccc(cc1)C=O)=O	146
+CC(C)(C)OC(=O)C(C)(C)Cc1ccc(cc1)CNCc2occc2	42
+CC(C)(C)OC(C(C)(C)Oc1cc(ccc1C(c2ccc(cc2)O)=O)OC)=O	16
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)C(OCC=2N(CCC)C(N(Cc3ccc(cc3)C)N=2)=O)=O)=O	47
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)C(=O)O)=O	1
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)CNCc2ocnc2C)=O	42
+CC(C)(C)OC(C(C)(C)Oc1cccc(CC(O)=O)c1)=O	2819
+CC(C)(C)OC(C(C)(C)Sc1scc(CCN)n1)=O	45
+c1cc(ccc1-c2ccc(OCCc3csc(n3)SC(C)(C)C(O)=O)c(c2)C(N4CCOCC4)=O)F	32
+CC(C)(C)OC(C(C)(C)Sc1scc(CC(O)=O)n1)=O	3
+c1cc(ccc1Br)CN(c2ncc(cn2)CC)CCc3nc(SC(C)(C)C(O)=O)sc3	32
+CC(C)(C)OC(C(C)(C)Sc1nc(CCOc2ccc(-c3ccc(cc3)F)cc2C(=O)O)cs1)=O	1
+CC(C)(C)OC(C(C)(C)Sc1scc(n1)CCO)=O	21
+CC(C)(C)OC(C(C)(C)Sc1scc(CCNc2ncc(cn2)CC)n1)=O	96
+CC(C)(C)OC(C(C)(C)Sc1nc(cs1)CCN(Cc2ccc(cc2)Br)c3ncc(cn3)CC)=O	7392
+CC(C)(C(OC)=O)Sc1nc(cs1)CCOc2ccc(cc2)I	7393
+CC(C)(C)OC(C(C)(C)Sc1scc(CCOc2ccc(cc2)I)n1)=O	20
+CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ccc(cc2)-c3ccc(cc3)[N+](=O)[O-])cs1	20
+CC(C)(C)OC(=O)C(C)N1C=CC(=CC1=O)c2c(ccc(Cl)c2)C#N	7394
+C1CCCCC1CCN(C(=O)NC(C(O)=O)C)CCSC(=O)C	32
+CC(C)(C)OC(C(C)NC(=O)N(CCSC(=O)C)CCC1CCCCC1)=O	2495
+CC(C)(C)OC(=O)C(CN)C1(CC(C)C)CCN(CCc2ccccc2)C1=O	18
+C1CCCC1C(c2ccc(cc2)CN3Cc4c(cc(F)c(F)c4)C3=O)C(=O)O	32
+CC(C)(C)OC(=O)c1c([nH]c(-c2c(cccc2)[N+](=O)[O-])c1)C	7395
+c1ccccc1CCC(CSC(=O)C)C(=O)NC(C(=O)O)CC(C)C	32
+CC(C)(C)OC(=O)C(C(=O)O)CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CCCC=C	4
+C1CCC(C1)C(CS(=O)(=O)N2CCC(CC2)Oc3c(Br)cc(cc3)F)C(O)=O	32
+CC(C)(C)OC(C(NC(C(N)C)=O)Cc1c[nH]c2c1cccc2)=O	334
+c1c2c([nH]cc2CC(C(=O)O)NC(=O)C(C)NC(c3ccnn3C)=O)ccc1	32
+NC(Cc1ccc(Br)nc1)C(=O)O	32
+CC(C)(C)OC(C(CC(C)C)NC(=O)C(CCc1ccccc1)CSC(=O)C)=O	188
+CC(C)(C)OC(C(NS(=O)(=O)c1ccc(cc1)-c2ccc(cc2)Cl)CCCN3C(=O)c4ccccc4C3=O)=O	592
+CC(C)C(N1Cc2c(cnc3[nH]cc(C1=O)c23)F)C(=O)O	32
+Clc1ccc(C#N)c(C=2C(Cl)=CN(C(C=2)=O)C(C(=O)O)CC3CCCCO3)c1	32
+CC(C)(C)OC(C(Cc1c[nH]c2c1cccc2)NC(=O)C(C)NC(c3n(ncc3)C)=O)=O	712
+CC(C)(C)OC(C(NC(OCc1ccccc1)=O)CNC(=O)c2ccc(cc2)CCC(NC=3NCCCN=3)=O)=O	7396
+c1cc(ccc1CCC(NC=2NCCCN=2)=O)C(=O)NCC(NC(OCc3ccccc3)=O)C(O)=O	32
+c1cc(ccc1S(=O)(=O)NC(CCCN2C(c3c(C2=O)cccc3)=O)C(=O)O)-c4ccc(cc4)Cl	32
+c1cc(ccc1)S(=O)(=O)NC(Cc2ccc(cc2)OCCCC(N=C3NCCCN3)=O)C(=O)O	32
+CC(C)(C)OC(C(NS(=O)(=O)c1ccccc1)Cc2ccc(cc2)OCCCC(N=C3NCCCN3)=O)=O	7397
+c1cc(ccc1N2C(C(C(O)C(=O)O)OCC2)=O)C	32
+CC(C)(C)OC(C(O)C1C(=O)N(c2ccc(cc2)C)CCO1)=O	883
+CC(C)(C)OC(C(OC)=O)c1c(nc2c(Br)c(-c3ccccc3)nn2c1-c4cc(c5c(CCCO5)c4C)F)C	4153
+CC(C)(C)OC(c1c(nc2n(nc(c2)N)c1-c3cc(c4c(CCCO4)c3C)F)C)C(O)=O	3
+CC(C)(C)OC(C(OCC)=O)c1c(-c2cc(c3c(CCCO3)c2C)F)n4nc(cc4nc1C)N	7398
+CC(C)(C)OC(c1sc(-c2ccccc2)cc1-c3ccc4OCCCc4c3)C(OCC)=O	1402
+CC(C)(C)OC(=O)C(Oc1cc(F)c(cc1)CNC(c2cccnc2Oc3cc4c(non4)cc3)=O)C	56
+CC(C)(C)OC(C(Oc1cc(c(CN)cc1)F)C)=O	107
+CC(C)(C)OC(C(CCCCl)=Cc1cc(c(-n2cc(nc2)C)cc1)OC)=O	1096
+C1CCCC1C(c2ccc(cc2)COC(C)=O)C(O)=O	32
+c1cc(ccc1C(C(=O)O)C)N2C(c3c(C2)ccc(Cl)c3)=O	32
+CC(C)(C)OC(=O)C(c1ccc(cc1)N)C	0
+FC(F)c1n(C(C(=O)O)C)c2ccc(c(Cl)c2c1)C#N	32
+CC(C)(C)OC(=O)CC(=O)CC(CCCC)C	7399
+CC(C)(C)OC(c1c(C)nc2cc(nn2c1Cl)-c3cc(Cl)ccc3)C(OC)=O	1040
+CC(C)(C)OC(C(=O)OCC)c1sc(cc1Br)Br	1040
+CC(C)(C)OC(C(=O)OC)c1nc(C)sc1	1040
+CC(C)(C)OC(C(=O)OC)c1c(C)nc2cc(-c3ccc4c(c3)CCCC4)nn2c1Cl	1040
+CC(C)(C)OC(CC(c1cc(ccc1)-n2cc(C)nc2C)=O)=O	2403
+CC(C)(C)OC(c1c(OCc2ccccc2)ccc3ccccc13)C(OCC)=O	1040
+CC(C)(C)OC(c1c(C)nc2[nH]c(C)c(C)c2c1-c3ccc(cc3)Cl)C(=O)OC	1040
+CC(C)(C)OC(c1c(C)cc2nc(Br)sc2c1-c3ccc(cc3)Cl)C(OCC)=O	1040
+CC(C)(C)OC(c1c(C)nc2n(nc(c2)-c3ccccc3)c1Cl)C(OC)=O	1040
+CC(C)(C)OC(=O)CC(=O)c1cccc(c1)-c2cc(no2)C	2403
+CC(C)(C)OC(C1COC(=O)N1c2nc(NC(C)c3sc(nc3)-c4ccc(cc4)Cl)ncc2)C	96
+CC(C)(C)OC(C)C1N(c2nc(nc(Cl)c2)NC(c3cc(on3)-c4ccc(cc4)Cl)C)C(=O)OC1	96
+OC(C1N(c2ccnc(F)n2)C(OC1)=O)C	1041
+FC(F)(F)c1cc2scc(N3CCN(CC3)CCC4(CC4)C(=O)O)c2cc1	32
+CC(C)(C)OC(=O)C1(CC1)Cc2cccc(c2Cl)N	196
+CC(C)(C)OC(C1(CC1)Cc2cc(NC(=O)C(C3CCCC3)c4ccc(cc4)C=C)ccc2)=O	443
+CC(C)(C)OC(=O)C1(CC1)Cc2ccc(c(c2)N)F	1197
+CC(C)(C)OC(C1(CC1)Cc2cc(N)ccc2)=O	1197
+C1CCCC1C(c2ccc(cc2)Cl)C(=O)Nc3cc(ccc3)CC4(CC4)C(=O)O	32
+CC(C)(C)OC(C1(CC1)Cc2cc(NC(=O)C(C3CCCC3)c4ccc(cc4)C=O)ccc2)=O	39
+CC(C)(C)OC(C1(CC1)Cc2cc(ccc2)NC(=O)C(c3ccc(cc3)CO)C4CCCC4)=O	59
+FC(F)(F)C(C)C(C(Nc1c(ccc(CC2(CC2)C(=O)OC(C)(C)C)c1)F)=O)N	334
+CC(C)(C)OC(C1(CCOCC1)CN2CCC(CC2)CN)=O	51
+CC(C)(C)OC(C(OC)=O)C=1N(C)C(c2c(cc[nH]2)C=1c3ccc(cc3)C)=O	167
+CC(C)(C)OC(C(=O)OC)C1=C(c2ccc(cc2C(=O)N1C)CN)c3ccc(c(C)c3)C	107
+CC(C)(C)OC(C1=C(c2cc(C)c(cc2)C)c3c(cc(C#N)cc3)C(N1C)=O)C(=O)OC	160
+CC(C)(C)OC(C=1N(C)C(=O)c2n(ccc2C=1c3ccc(cc3)C)Cc4ccc5c(non5)c4)C(=O)O	4
+CC(C)(C)OC(=O)C1CC2(CC2)CNC1C(=O)Nc3ccc(cc3)OCc4c5c(nc(c4)C)cccc5	33
+CC(C)(C)OC(C1CC(CC1CC)CO)=O	95
+CC(C)(C)OC(=O)C1CC(CN)CC1CC	4154
+CC(C)(C)OC(C1CCCC1N(S(=O)(=O)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4)C)=O	693
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)NC(C4N(CC5(CC5)CC4C(=O)O)C)=O	32
+c1ccc(C2C(C(=O)O)C2)cc1C(=O)OC	32
+CC(C)(C)OC(C1C(CC)CC(COS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(=O)C1N(C(CNC(Nc2cc(C(C)C(=O)OCc3ccccc3)ccc2)=O)=O)C(CC1)c4ccccc4	1631
+O=S(=O)(N(C1CCCC1C(O)=O)C)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4	32
+CC(C)(C)OC(C1CCCN2N1C(C(N)CCC2=O)=O)=O	1955
+CC(C)(C)OC(C1N2N(CCC1)C(CCC(NC(OCc3ccccc3)=O)C2=O)=O)=O	1403
+C1CN(CCC1C(=O)O)c2c(cncc2F)NC(c3c4n(cc(F)cn4)nc3N)=O	32
+CC(C)(C)OC(C1C(=O)N(CC)c2cc(OC)ccc2CC1)=O	727
+CC(C)(C)OC(=O)C1C(CN(C(OC(C)(C)C)=O)C1)C=O	378
+CC(C)(C)OC(C1CN(CC)C(=O)N1)=O	7400
+c1ccccc1C2(CCCCC2)CCc3onc(-c4ccc(cc4)CN5CC(C5)C(O)=O)n3	32
+CC(C)(C)OC(C)C1N(c2cc(Cl)nc(Cl)n2)C(=O)OC1	7401
+c1cc(ccc1-c2sc(cn2)C(Nc3nc(N4C(COC4=O)C(O)C)ccn3)C)Cl	1041
+CC(C)(C)OC(C1CCC(c2ccccc2)N1C(=O)CN)=O	84
+CC(C)(C)OC(=O)N1CC(N)CC1C(OC(C)(C)C)=O	18
+C1C(C(=O)O)N(c2ccc(C)c(c2C)COc3cccc4ccc(C)nc34)CC1	32
+CC(C)(C)OC(N1C(C(N=[N+]=[N-])CC1)C(=O)O)=O	32
+c1ccccc1COC(NC2CCC(=O)N3N(C2=O)C(CCC3)C(O)=O)=O	32
+N(C1C(N2C(C(=O)O)=C(CBr)CS(=O)C12)=O)C=O	628
+CC(C)(C)OC(=O)CC1CCC(CC1)C(OCC)=O	774
+C1CCCCC(C1)=C(c2ccc(cc2)O)c3ccc(cc3)C=CC(=O)O	628
+C1CC(CCCC1)=C(c2ccccc2)c3ccc(cc3)C=CC(=O)O	628
+CC(C)(C)OC(=O)C=Cc1ccc(cc1)C=CC(=O)c2cc(c(F)cc2)F	307
+O=Cc1ccc(C=CC(=O)O)nc1	628
+CC(C)(C)OC(CCc1ccncc1)=O	159
+c1ccccc1CS(=O)(=O)n2cc(C=CC(=O)O)cc2	628
+CC(C)CC(C(NC1C(=O)NCCCCCCn2cc(c3c2cccc3)C1)=O)CC(O)=O	32
+CC(C)(C)OC(CC(CC(C)C)C(NC(C(=O)NC)CCc1ccccc1)=O)=O	207
+CC(C)(C)OC(CC(NC(C(C)N1C=CC=CC1=O)=O)C(CF)=O)=O	86
+CC(C)(C)OC(CC(C(=O)O)CC(C)C)=O	4
+c1ccccc1COC(C(Cc2ccccc2)CC(=O)O)=O	32
+CC(C)CC(CC(O)=O)C(NC(CCc1ccccc1)C(=O)NC)=O	32
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2nc(no2)Cc3ccncc3)=O	4155
+c1cnccc1Cc2nc(on2)C(CC(=O)O)CCCC3CCCCC3	32
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2onc(n2)CN(CC(=O)NC)C)=O	9
+CC(C)(C)OC(=O)CC(C(=O)O)CCCC1CCCCC1	2820
+CC(C)(C)OC(=O)CC(COS(=O)(=O)c1ccc(cc1)C)Nc2ccc(C#N)c(Cl)c2	36
+CC(C)(C)OC(CC(N)COCOC)=O	102
+CC(C)(C)OC(=O)CC(C(O)=O)Nc1ccc(C#N)c(c1)Cl	945
+CC(C)(C)OC(CC(NC(c1nn(CC(C)C)c(c1)-c2c(cccc2OC)OC)=O)CC(C)C)=O	81
+O=C(O)CC(c1cccc(F)c1)N	32
+CC(C)(C)OC(=O)CC(N)C(NC)=O	2139
+O=C1N(C(C(=O)NC(C(=O)CF)CC(=O)O)C)C=CC=C1	32
+CC(C)(C)OC(CC(NC(=O)OCC1c2c(-c3ccccc13)cccc2)C(NC)=O)=O	9
+c1(cccc(OC)c1-c2n(CC(C)C)nc(C(NC(CC(C)C)CC(=O)O)=O)c2)OC	32
+O=S(=O)(NC(C=O)CC(O)=O)c1c(OCCc2cccc3ccccc23)cc(NC(=O)C)cc1	32
+CC(C)(C)OC(CC(Nc1cc(Cl)c(cc1)C#N)CNCC)=O	1385
+CC(C)(C)OC(CC(Nc1cc(Cl)c(C#N)cc1)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC)=O	2821
+CC(C)(C)OC(=O)CC(CN(S(=O)(=O)c1c([N+]([O-])=O)cccc1)C)Nc2cc(Cl)c(C#N)cc2	693
+CC(C)(C)Cc1onc(c1)-c2onc(C(CC(=O)O)CCCOCc3ccccc3)c2C4CC4	32
+c1cc(ccc1NC(Cc2ccc(c(c2)OC)NC(N3c4ccccc4CC3)=O)=O)C(CC(O)=O)C	32
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(=O)CC(=O)c3cc(-n4ccnc4SCOC)ccc3)=O	496
+CC(C)(C)OC(=O)CC(Nc1c(cccc1)[N+]([O-])=O)c2ccccc2	60
+CC(C)(C)OC(=O)CC(c1onc(CO)n1)CCCC2CCCCC2	7402
+CC(C)(C)OC(CC(c1onc(n1)C(=O)N2CC(C2)N(C)C)CCCC3CCCCC3)=O	2661
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2nc(no2)C(=O)NC)=O	1506
+C1CN(CCC1)C(c2noc(C(CCCC3CCCCC3)CC(=O)O)n2)=O	32
+c1ccccc1COCCCC(CC(=O)O)c2c(c(-c3cnc(s3)CC(C)C)on2)C4CC4	32
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2nc(CN(CCOC)CCOC)no2)=O	3519
+C1CC(CCC1)CCCC(c2onc(n2)C(=O)N3CC(C3)N(C)C)CC(=O)O	32
+C1CC(CCC1)CCCC(c2onc(n2)C(N3CC(C3)C(OC)=O)=O)CC(=O)O	32
+c1cc(ccc1)C(n2cnc3ccccc23)CC(=O)O	32
+C(CC1(CC2c3ccccc3C1CC2)O)O	2764
+O=S(=O)(N1C(C(NC=C1)=O)CC(=O)O)c2ccc(cc2)C	32
+CC(C)(C)OC(CC1c2n(c3ccc(cc3c2)OCc4ccc(OC(C)C)c(C#N)c4)CC1)=O	139
+CC(C)(C)OC(CC1c2n(c3ccc(OCc4cc(C(F)(F)F)c(CC5CCCCC5)cc4)cc3c2)CC1)=O	139
+FC(F)(F)c1cc(COc2cc3c(n4c(C(CC4)CC(O)=O)c3)cc2)ccc1CC5CCCCC5	32
+CC(C)Oc1ccc(COc2cc3c(n4c(C(CC4)CC(O)=O)c3)cc2)cc1C#N	32
+CC(C)(C)OC(=O)CCC(Nc1ncc(c(O)n1)C(NCc2ccc(cc2Cl)Cl)=O)=O	2004
+CC(C)(C)OC(=O)CCC(=O)Nc1c(C(N)=O)cccn1	142
+CC(C)(C)OC(=O)CCC(=O)NC(Cc1ccc(cc1)Br)CC(=O)OCC	9
+CC(C)(C)OC(=O)CCC(C(=O)N1CCN(CC1)C(=O)OC2CCC2)N	334
+CC(C)(C)OC(=O)CCC(c1ccc(cc1)Oc2ccc(c(c2)CC)OC)=O	46
+FC1(F)C(C(C2C(C)OC(C2(CCC(=O)O)C1)=O)C=Cc3ncc(Br)cc3)C	32
+CC(C)(C)OC(=O)CCCCOc1cnc(nc1)Cl	2448
+c1cc(ccc1)COC(=O)NC(c2oc(cn2)-c3cc4c(cccc4)nc3OC)CCCCCC(=O)O	32
+CC(C)(C)OC(=O)CCCCCOc1ccccc1	116
+O=C(CCCCNC(NCCCCC1C2C(NC(N2)=O)CS1)=O)O	32
+CC(C)(C)OC(CCCOc1c(cccc1)C(OCC)=O)=O	72
+CC(C)(C)OC(=O)CCCOc1cccc(C)c1N(C(c2cc(c(cc2)Cl)Br)=O)C	816
+CCOC(=O)c1c(OCCCC(=O)O)cccc1	32
+c1ccccc1COC(N(CCc2cccc(F)c2)CCC(=O)O)=O	32
+CC(C)(C)OC(=O)CCN1CC(c2ccc(cc2)Oc3ccccc3Cl)S(=O)CC1	7403
+CC(C)(C)OC(CCN1CCC(CC1)CNC2CC2c3scc(C(=O)Nc4sc(nn4)C)c3)=O	318
+C(NC(c1sc(cc1)Cl)=O)CC(=O)O	32
+CC(C)(C)OC(CCN(C(=O)OCc1ccccc1)CCc2cccc(F)c2)=O	66
+CC(C)(C)OC(CCNS(=O)(=O)c1cc2c(ncc(Cl)c2cc1)N=C(N)N)=O	4156
+CC(C)(C)OC(CCNS(=O)(=O)c1cccc(c1)C(O)=O)=O	1
+c1ccc2C(=O)N(C(c2c1)=O)CCOCCOCCOCCC(O)=O	32
+C1CN(CCO1)CCOCCOCCOCCC(O)=O	32
+CC(C)(C)OC(CCOCCOCCOCCOS(=O)(=O)c1ccc(cc1)C)=O	36
+C(C(=O)O)COCCOCCOCCOCC=CCBr	32
+CC(C)(C)OC(CCOCCOCCOCCN1C(c2c(C1=O)cccc2)=O)=O	2140
+C(COCCc1ccc2c(ccs2)c1)C(=O)O	32
+CC(C)(C)OC(=O)CCSCc1cc(ccc1)C(Nc2ccc(cc2C(Nc3nn(cc3)-c4cc(c(cc4)C)C)=O)Cl)=O	50
+c1(CCC(=O)O)[nH]c(C(=O)OC)cc1	32
+CC(C)(C)OC(CCc1c(cc(cc1C)C(=O)N)CC)=O	2822
+CC(C)(C)OC(CCc1c(CC)cc(cc1C)C(=NO)N)=O	253
+CC(C)(C)OC(CCc1c(cc(cc1C)C#N)CC)=O	274
+CC(C)(C)OC(CCc1cc(Cl)c(c(c1)Cl)-c2nc3c([nH]2)ccc(-c4nnc(-c5ccc(cc5)Cl)o4)c3)=O	7404
+c1(cc(cc(Cl)c1-c2nc3c([nH]2)ccc(-c4nnc(-c5ccc(cc5)Cl)o4)c3)CCC(O)=O)Cl	32
+CC(C)(C)OC(CCc1nc(cc(S(=O)(=O)C)c1)C2=NC(c3ccc(Cl)cc3S2)=O)=O	2767
+C(c1ccc(cc1C)C(=O)OC)CC(=O)O	32
+CC(C)(C)OC(=O)CCc1cccc(C=2Sc3c(C(N=2)=O)ccc(c3)OC)n1	2416
+CC(C)(C)OC(=O)CCc1cccc(C=2Sc3c(C(=O)N=2)ccc(c3)C)n1	2416
+C1(c2cc(CCC(=O)O)ccn2)=NC(c3ccc(F)cc3S1)=O	32
+c1(ccnc(c1)C=2Sc3c(cccc3)C(N=2)=O)CCC(=O)O	32
+CC(C)(C)OC(=O)CCc1ccnc(C#N)c1	7405
+O=S(=O)(c1cc(C2=NC(c3ccc(Cl)cc3S2)=O)nc(c1)CCC(=O)O)C	32
+CC(C)(C)OC(=O)CN(CC(O)=O)CC	210
+c1cc(ccc1OCC#Cc2ccc(cc2)Cl)S(=O)(=O)N(CC(=O)O)C	32
+C[Si](C)(C)C#Cc1cc(cc(Cl)c1)S(=O)(=O)N(CC(OC(C)(C)C)=O)c2ccc3c(c4ccccc4n3CC)c2	2823
+CC(C)(C)OC(CN1C(=O)C(=CC=C1C)NS(=O)(=O)Cc2ccccc2)=O	7406
+CC(C)(C)OC(CN1C(=CC=C(N)C1=O)C)=O	1849
+c1ccccc1CS(=O)(=O)NC2=CC=C(N(CC(O)=O)C2=O)C	32
+c1cc(ccc1)C2C(C(N(CC(O)=O)c3c(cccc3)S2)=O)NC(=O)c4[nH]c5c(cccc5)c4	32
+CC(C)(C)OC(=O)CN1CC(c2ccco2)SCC(NC(CCc3ccccc3)C(=O)OCC)C1=O	7407
+Clc1ccc(c(C2=CC(=O)N(CC(=O)O)C=3CCC(=O)C2=3)c1)Br	32
+C(=O)(O)CN1C(=O)N(CC1)c2ncccc2	32
+c12c(cccc1)N(c3ccncn3)C(=O)N2CC(=O)O	32
+CC(C)(C)OC(CN1C(N(c2cc(ncn2)Cl)c3ccccc13)=O)=O	7408
+CC(C)(C)OC(CN1c2ccccc2N(c3ccccn3)C1=O)=O	7409
+CC(C)(C)OC(C(N1C=C(Cl)C(c2cc(Cl)ccc2C#N)=CC1=O)CC3CCCCO3)=O	7410
+C(c1cc(C)c(CNC(N2CC(=O)N(c3cccc(F)c23)CC(O)=O)=O)cc1)(N4c5c(cccc5)CCCC4)=O	32
+CC(C)(C)OC(CN1C(=O)N(c2c1cccc2)c3ncncc3)=O	511
+c1ccccc1COC(=O)NC2=CC=CN(CC(=O)O)C2=O	32
+C1CC(CCN1CC(=O)O)n2c3c(c(N)ncn3)c(n2)-c4ccc(cc4)Oc5ccccc5	32
+c12c(N(C(=O)N1CC(=O)O)c3ccccn3)cccc2	32
+c1cc(ccc1OCCc2c(F)cccc2)C(=O)NCC(O)=O	32
+CC(C)(C)OC(CNC(C=1C(C(C)(C)c2c(F)c(ccc2C=1O)OCC(C)C)=O)=O)=O	8
+CC1(C)c2c(F)c(ccc2C(=C(C(=O)NCC(=O)O)C1=O)O)OCC(C)C	32
+CC(C)(C)OC(CN(S(=O)(=O)c1ccc(cc1)OCC#Cc2ccc(cc2)Cl)C)=O	1387
+CC(C)(C)OC(CN(Cc1c(cccc1)C)S(=O)(=O)c2cc3c(cc2)c(cnc3Cl)Cl)=O	1387
+CC(C)(C)OC(Cn1c2c(nc1CCC)cc(NS(=O)(=O)c3ccc(cc3)F)cc2)=O	4132
+c1(NCC(=O)O)ncc(C=O)s1	32
+CC(C)(C)C(COc1ncnc2oc(c(-c3ccc(cc3)CC)c12)-c4ccccc4)COCC(O)=O	32
+CC(C)(C)OC(=O)COCCCCO	168
+CC(C)(C)c1ccc(cc1)C=2N(C)N(C(C=2C(N(C)CCOCC(OCC)=O)=O)=O)c3ccc(cc3)C#N	7411
+C1CC1N(CCOCC(=O)O)S(=O)(=O)c2c(C)cc(cc2C)OC	32
+CC(C)(C)OC(=O)COCCOCCOCCOS(=O)(=O)c1ccc(cc1)C	36
+CC(C)(C)OC(COCCOCCOCCOCCN)=O	18
+CC(C)(C)OC(COCCOCCOCCOCCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(COCCOCCOCCOCCN=[N+]=[N-])=O	133
+CC(C)(C)OC(COCCOCCOCCO)=O	118
+CC(C)(C)OC(COCCOc1cc2c(-c3ccc(cc3)C)c(CN)c(CC(C)C)nc2cc1)=O	388
+C1CCCCN1S(=O)(=O)c2ccc(Cl)c(c2)COCC(O)=O	32
+c1cc(ccc1COCC(=O)O)Oc2ccc(cc2)C(=O)OC	32
+CC(C)(C)OC(c1oc2c(c(ccc2)O)c1C)=O	7412
+CC(C)(C)OC(COc1ccc(cc1CO)Cl)=O	41
+CC(C)(C)OC(COc1c(cc(cc1Cl)N)Cl)=O	0
+c1c(OCC(=O)O)c(cc(C=CC(OC)=O)c1)OC	32
+CC(C)(C)OC(COc1ccc(CN(S(=O)(=O)c2ccc(cc2)F)C)cc1-c3ccc(c(S(=O)(=O)C)c3)F)=O	92
+CC(C)(C)OC(=O)COc1ccc(cc1C#C[Si](C)(C)C)Cl	263
+CC(C)(C)OC(COc1c2CCCC(NS(=O)(=O)c3cc(Cl)c(F)cc3)c2ccc1)=O	71
+CC(C)(C)OC(COc1c2c(C(CCC2)NS(=O)(=O)c3ccc(cc3)-c4ccccc4)ccc1)=O	71
+CC(C)(C)OC(COc1c2c(ccc1)C(CCC2)NS(=O)(=O)c3cc(Br)c(nc3)Cl)=O	1362
+CC(C)(C)OC(COc1c2CCCC(NS(=O)(=O)c3cc(Cl)c(cc3)Oc4ccc(cc4)Cl)c2ccc1)=O	46
+O=S(=O)(c1cc(Cl)c(cc1)Oc2ccc(cc2)Cl)NC3CCCc4c3cccc4OCC(O)=O	32
+CC(C)(C)OC(COc1cccc2C(CCCCc12)N)=O	474
+c1cc(ccc1S(=O)(=O)NC2CCCCc3c(OCC(=O)O)cccc23)-c4cccc(c4)C(C)C	32
+CC(C)(C)OC(COc1c2c(ccc1)C(CCC2)NS(=O)(=O)c3cc(Br)c(nc3)Oc4c(cc(F)cc4)Cl)=O	136
+CC(C)(C)OC(COc1c2CCCCC(NS(=O)(=O)c3ccc(cc3)-c4cccc(c4)C(C)C)c2ccc1)=O	134
+CC(C)(C)OC(=O)COc1c2c(ncc(N)c2)sc1C(OC)=O	13
+CC(C)(C)OC(=O)COc1cc(C(=O)O)ccc1Cl	1
+CC(C)(C)OC(COc1c(cc(CNC)cc1)-c2cc(c(F)cc2)S(=O)(=O)C)=O	42
+CC(C)(C)OC(COc1ccc(CNC)cc1-c2cc(cc(F)c2)C#N)=O	42
+c1cc(ccc1S(=O)(=O)N(Cc2cc(-c3ccc(c(S(=O)(=O)C)c3)F)c(OCC(=O)O)cc2)C)F	32
+CC(C)(C)OC(COc1ccc(cc1-c2cc(F)cc(C#N)c2)CN(S(=O)(=O)c3ccc(cc3)F)C)=O	92
+CC(C)(C)OC(=O)COc1c(cc(Cl)cc1)C#Cc2ccc3c(S(=O)(=O)C(C)(C)C3O)c2	455
+CC(C)(C)OC(COc1c(C#Cc2cc(S(=O)(=O)C)ccc2O)cc(Cl)cc1)=O	129
+CC(C)(C)OC(COc1c(C#Cc2c(ccc(S(=O)(=O)N)c2)C)cc(Cl)cc1)=O	455
+CC(C)(C)OC(COc1ccc(cc1)CN)=O	817
+CC(C)(C)OC(COc1ccc(cc1)C=NO)=O	135
+c1cc(ccc1)COC(CCc2ccc(cc2)OCC(O)=O)=O	32
+CC(C)(C)OC(COc1ccc(cc1)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(COc1ccc(cc1)CCOc2c(cccc2)C(OC)=O)=O	262
+c1cc(ccc1OCC(=O)O)CCOc2c(cccc2)C(OC)=O	32
+c1cc(ccc1OCC(=O)O)CCSc2c(cccc2)C(OC)=O	32
+CC(C)(C)OC(=O)COc1ccc(cc1)CNC(c2ncnc(c2)C(=O)NCc3ccc(c(C)c3)F)=O	81
+CC(C)(C)OC(COc1ccc(cc1)OCCOCCOCCOCCCCCCCCCCCSC(=O)C)=O	4157
+c1cc(ccc1OCC(O)=O)OCCOCCOCCOCCCCCCCCCCCSC(=O)C	32
+CC(C)(C)OC(COc1ccc(C=O)cc1-c2cc(cc(C#N)c2)F)=O	99
+CC(C)(C)OC(COc1ccc(cc1Br)CNC)=O	42
+CC(C)(C)OC(COc1ccc(cc1Br)CN(S(=O)(=O)c2cc(Cl)c(cc2)F)C)=O	92
+CC(C)(C)OC(COc1ccc(cc1COS(=O)(=O)C)Cl)=O	7
+CC(C)(C)OC(COc1ccc(cc1)CCC(=O)OCc2ccccc2)=O	992
+CC(C)(C)OC(=O)COc1c(c(C=O)ccc1)C	39
+CC(C)(C)OC(COc1c2c(ccc1)C(NS(=O)(=O)c3ccc(cc3)I)CCCC2)=O	71
+CC(C)(C)OC(COc1c2CCCC(N)c2ccc1)=O	474
+CC(C)c1c(c(no1)C(C)C)CC(=O)O	32
+Fc1cc(cc(F)c1CC(O)=O)OCCC2C(C3CCN(CC3)c4ncc(cn4)OCC)C2	32
+c1c(F)c(c(cc1CC(O)=O)F)[N+](=O)[O-]	32
+CC(C)(C)OC(=O)Cc1ccc(Oc2ccc(cc2)C(Nc3ccc(c(Cl)c3)Cl)=O)c(CNS(=O)(=O)C)c1	67
+CC(C)(C)OC(Cc1cc(c(cc1)Oc2ccc(cc2)C(=O)O)CNS(=O)(=O)C)=O	1
+N#Cc1cc(F)c(cc1F)CC(O)=O	32
+CC(C)(C)OC(=O)C(c1cc2c(cc1)ncc(OC)c2)C	643
+c1ccccc1COc2cc(c(CC(=O)O)cc2)C#N	32
+CC(C)(C)OC(Cc1cc(c(cc1)Oc2ccc(cc2)C(=O)OC)CNS(=O)(=O)C)=O	111
+CC(C)(C)OC(Cc1cc2c(ncc(OC)c2)cc1)=O	2824
+c1(c(Cl)ncc(CC(=O)O)c1)C	32
+CC(C)(C)OC(Cn1c2c(cc(cc2)NCc3ccccc3)nc1CCC)=O	208
+CC(C)C(=O)N(Cc1ccccc1)c2ccc3c(nc(n3CC(=O)O)CCC)c2	32
+OC(Cn1nc(C(N)=O)c2ccccc12)=O	32
+CC(C)(C)OC(Cn1c(CCC)nc2cc(N(C(=O)C(C)C)Cc3ccccc3)ccc12)=O	192
+CC(C)(C)OC(Cn1c2ccc(cc2nc1CCC)N(CCCc3ccccc3)S(=O)(=O)c4ccc(cc4)F)=O	1233
+C1CCCCC1c2c3c(cc(cc3)C(OC)=O)n(CC(O)=O)c2Br	32
+c1cc(ccc1S(=O)(=O)N(c2cc3c(cc2)n(CC(=O)O)c(CCC)n3)CCCc4ccccc4)F	32
+C(Cn1c2ccc(O)cc2c(C(=O)C)c1)(=O)O	32
+CC(C)(C)OC(=O)Cn1nc(c2cc(Nc3cccnn3)ccc12)C(=O)N	781
+C(C)OC(c1cnn(c1)CC(=O)O)=O	32
+Oc1nc2c(c3ccsc13)cc(c(F)c2F)OC	7413
+CC(C)(C)OC(N(C)C(C(NO)=N)CCCC(O)C)=O	609
+CC(C)(C)OC(N(C(CO)CC=C)CC=C)=O	95
+c1cc(ccc1C#N)Nc2nc(c(C#CCCCNC(=O)C(C)NC)cn2)NCCC	255
+CC(C)(C)OC(N(C)C(C(=O)N(C(CNS(=O)(=O)C)Cc1ccccc1)C)Cc2ccc3c(cccc3)c2)=O	10
+CC(C)(C)OC(=O)N(C(C(Nc1ccc(OC)c(NS(=O)(=O)c2ccc(-c3ccc(C)o3)cc2Cl)c1)=O)C)C	33
+CC(C)(C)OC(N(C(C(NCCCC#Cc1c(nc(nc1)Nc2ccc(cc2)C#N)NCCC)=O)C)C)=O	9
+CC(C)(C)OC(=O)N(C(C)C(Nc1nc(C#Cc2ccccc2)c(NC(C3CCOCC3)=O)cc1)=O)C	142
+C(C(C)NC)C=Cc1ccc2c(OCO2)c1	2
+CC(C)(C)OC(N(C)C(CN)CC1COCCC1)=O	51
+c1ccccc1C(CCN2c3c(N(c4ccccc4F)S2(=O)=O)cccc3)NC	2
+CC(C)(C)OC(=O)N(C)C(Cc1ccccc1)CN	273
+CC(C)(C)OC(=O)N(CC=C)C(COC(=O)c1ccc(cc1)[N+](=O)[O-])CC=C	279
+CC(C)(C)OC(=O)N(C(CCNC(=O)c1ccccn1)Cc2ccccc2)C	2406
+CC(C)(C)OC(=O)N(C)C(CCOCC)c1ccc(cc1)OCc2ccccc2	21
+c1cc(ccc1)CC(CNS(=O)(=O)C)N(C(=O)C(NC)Cc2cc3c(cccc3)cc2)C	255
+O=S(=O)(N(C)CC(NC)Cc1cccs1)C	2
+CC(C)(C)OC(=O)N(C)C(CNC(=O)c1cccc(C(OCCNC(OC)=O)c2cc(Cl)ccc2)c1)CC3CCCOC3	14
+c1cc(ccc1)CC(CNS(=O)(=O)C)NC	2
+CC(C)(C)OC(N(C)C(Cc1sccc1)CNC)=O	1130
+CC(C)(C)OC(N(C(CNCc1ccccc1)Cc2ccccc2)C)=O	1130
+CC(C)(C)OC(N(C)C(CN(S(=O)(=O)C)C)Cc1cccs1)=O	112
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)NC)=O)O	2
+CC(C)(C)OC(N(C1CCC(c2ccc(c(Cl)c2)Cl)c3ccc(cc13)C(=O)O)C)=O	1
+CC(C)(C)OC(N(C)C1CCC(c2ccc(cc12)C#CCCCOC)c3ccc(c(Cl)c3)Cl)=O	76
+CC(C)(C)OC(N(C1C(O)C(CCC1)Nc2c(cnc(Cl)n2)-c3cn(C)nc3)C)=O	2420
+FC(F)(F)c1ccc(N2CCCC(N(C)C(OC(C)(C)C)=O)C2)c(NC(c3cc(ccc3F)I)=O)c1	50
+CC(C)(C)OC(=O)N(CC(CN(C(OC(C)(C)C)=O)C)Oc1cc(cc(c1)[N+]([O-])=O)F)C	57
+CC(C)(C)OC(=O)N(CC1(c2ccccc2)C(CO)C1)C	118
+C1CN(CCC1CCNC)C(OCc2cc(Cl)cc(Cl)c2)=O	2
+CC(C)(C)OC(=O)N(CCCc1cc2cc(ccc2[nH]1)C(Nc3ccc(c(OC)c3)OC)=O)C	2112
+CNCCCCCC(OC)=O	2
+CC(C)(C)OC(N(CCN1c2c(ccc(c2)N=C(c3cccs3)N)SCC1)C)=O	7414
+CC(C)(C)OC(=O)N(C)CCOc1cccc2n(ccc12)S(=O)(=O)c3c(F)cccc3	1520
+CC(C)(C)OC(=O)N(C)CCON=C(c1[nH]c2c(c1)ccnc2)c3ccccc3	4158
+CC(C)(C)OC(N(C)Cc1cn(S(=O)(=O)c2cnccc2)c(c1)Br)=O	1690
+CC(C)(C)OC(N(C)Cc1cn(S(=O)(=O)c2cnccc2)c(c1)-c3cc(C#N)ccc3F)=O	1072
+CC(C)(C)OC(N(Cc1cn(S(=O)(=O)c2cnccc2)c(-c3cccc(C=O)c3F)c1)C)=O	1072
+CC(C)(C)OC(N(C)Cc1cc([nH]c1)Br)=O	4159
+CC(C)(C)OC(=O)N(c1c(ccc(SC)c1)N)C	0
+O(c1nc(ncc1NC)SC)c2c(cccc2)C	7415
+CC(C)(C)OC(=O)N(c1cc(c(OC(C)=O)c(c1C)C)C)C	385
+CC(C)(C)OC(N(C)c1c(ccc(SC)c1)[N+](=O)[O-])=O	972
+CC(C)(C)OC(N(C1C(O)CNCC1)Cc2cc3c(OCCO3)cn2)=O	62
+CC(C)(C)OC(N(C1C(CNC1)c2ccc(Cl)c(Cl)c2)C)=O	25
+CC(C)(C)OC(N(Cc1c(F)cc(cc1)F)C2CN(Cc3ccccc3)C(C(=O)N4CCN(CC4)c5ccc(cc5)C(C)=O)C2)=O	10
+CC(C)(C)OC(N(C1CC(N(Cc2ccccc2)C1)C(=O)O)Cc3c(F)cc(cc3)F)=O	4
+CC(C)(C)OC(N(Cc1cc(CCN)ccc1Cl)C2CC2)=O	18
+CC(C)(C)OC(N(C1CC1)Cc2cc(CCN=[N+]=[N-])ccc2Cl)=O	254
+CC(C)(C)OC(N(C1CC1)c2n3ncc(C=O)c3nc(c2)-c4ccnc(F)c4)=O	7416
+CC(C)(C)OC(=O)N(C1CC1)c2n3c(nc(c2)SCc4ccccc4)c(cn3)C=O	3767
+C1CC1Nc2n3ncc(c3nc(-c4ccnc(F)c4)c2)C=O	2776
+CC(C)(C)OC(=O)N(C1CCC(CC1)C=O)C	378
+C1CC(CCC1NC)N2CCCC2	2
+CC(C)(C)OC(N(C1CCCC(N)C1O)C)=O	102
+CC(C)(C)OC(N(C)C1CCCC(Nc2c(Br)cnc(Cl)n2)C1O)=O	40
+CC(C)(C)OC(=O)NCCN(C(OC(C)(C)C)=O)C1CCNCC1	62
+CC(C)(C)OC(N(C1CCNCC1)CCP(OCC)(OCC)=O)=O	25
+c1cc(ccc1F)-c2c(c(c(nn2)N3CCC(CC3)NC)C)C	2
+CC(C)(C)OC(N(C1CCN(CC1)c2nnc(c(C)c2C)-c3ccc(cc3)F)C)=O	519
+CC(C)(C)OC(N(C1CCN(C1)c2c3c4cc(ncc4n(c3ncc2Cl)COCC[Si](C)(C)C)C#N)CC)=O	395
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2c3cccc(c3C=CC2=O)OC)Cc4cc5OCCOc5cc4	61
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2C(=O)C=Cc3c([N+](=O)[O-])cccc23)Cc4cc5OCCOc5cc4	61
+CC(C)(C)OC(=O)N(C1CN(C1)c2nc3c(cc([N+]([O-])=O)cn3)n4cnnc24)C	2825
+c1cc(ccc1OC)CN2CCC(C2)Nc3ccc(cn3)C=CC(=O)OCC	2776
+CC(C)(C)OC(=O)N(c1ncc(C=CC(=O)OCC)cc1)C2CCNC2	25
+CC(C)OC(c1c(N2CC(CC2)NCC)nccc1)=O	2
+CC(C)(C)OC(=O)N(CC#C)CCOS(=O)(=O)C	7
+CC(C)(C)OC(N(CC#C)CCO)=O	35
+CC(C)(C)OC(=O)N(CC(N1C(C(OC)=O)CC(N)C1)=O)C	18
+CC(C)(C)OC(=O)N(C)CC(=O)N1C(C(OC)=O)CC(OS(=O)(=O)C)C1	7
+CC(C)(C)OC(N(CCO)CCN1CCSc2cc([N+](=O)[O-])ccc12)=O	15
+CC(C)(C)OC(N(C)CCN1c2c(SCC1)ccc([N+](=O)[O-])c2)=O	15
+CC(C)(C)OC(=O)N(CC(=O)OCC)CCCC(=O)C	97
+C[Si](C)(C)OC(C(N)CN(C(OC(C)(C)C)=O)C)C1CCCCC1	19
+CC(C)(C)OC(N(CC1CC1)C2CC2c3cc(ccc3)C(=O)Nc4cnn(CC)c4)=O	1404
+CC(C)(C)OC(N(CC1CC1)C2CC2c3cc(C(=O)O)ccc3)=O	1
+CC(C)(C)OC(N1c2ccc3cc(C#N)ccc3c2C(CCl)C1)=O	4080
+CC(C)(C)OC(=O)N(C)CCN(c1c(-c2cc(CC)ccc2)c(Cl)ccc1)CCCCOC	713
+CC(C)(C)OC(N(CCCC(C)C)CC1CCCc2c(Oc3ncc(cc3)C(N)=O)cccc12)=O	745
+CC(C)CCCNCC1c2cccc(c2CCC1)Oc3ncc(cc3)C(N)=O	2
+CC(C)(C)OC(N(CCCCN1CCN(CC1)c2cc(nc(n2)C(C)(C)C)C3CCC3)C)=O	15
+CC(C)(C)OC(=O)N(CCCCN(C)C)CCCN	51
+CC(C)(C)OC(N(CCCNC(=O)C(NC(=O)c1cc2ccccc2s1)CC(C)C)C)=O	9
+CC(C)(C)OC(=O)N(CCCNc1c(cnc(Cl)n1)Br)C	40
+CC(C)CC(NC(=O)c1cc2ccccc2s1)C(=O)NCCCNC	2
+CC(C)(C)OC(N(CCCc1ccc2CCCNc2n1)CC(=O)N(C)OC)=O	978
+CC(C)(C)OC(N(CCCc1ccc2CCCNc2n1)CC(=O)OCC)=O	2826
+CC(C)(C)OC(N(CCCc1nc(ccc1)Br)CC=O)=O	378
+CC(C)(C)OC(N(CCCc1nc(ccc1)Br)CC(=O)N(C)OC)=O	978
+CC(C)(C)OC(N(CCN(C)Cc1c2cc(Oc3ccc(cc3)N)ccc2n(C4OCCCC4)n1)C)=O	0
+CC(C)(C)OC(N(CCN(Cc1c(-c2ccc(cc2)N)nn(C3OCCCC3)c1)C)C)=O	0
+N(c1cc2c(cc1)SCCN2CCNC)C(c3sccc3)=N	7417
+CC(C)(C)OC(N(CCN(C(=O)Oc1ccc(cc1)OC)CC)CC)=O	66
+CC(C)(C)OC(N1CCOC(C1)C(C)C)=O	2638
+CC(C)(C)OC(=O)N1CC(c2ccc([N+]([O-])=O)c(C)c2)OCC1	2774
+CC(C)(C)OC(N1CC(OCC1)c2ccc(nc2)Cl)=O	7418
+CC(C)(C)OC(N(CCOC)Cc1n(c(nc1)-c2cc3c(s2)c(Oc4ccc(N)cc4F)ccn3)C)=O	0
+CC(C)(C)OC(N(CCOCCNc1c2c(cccc2)ncc1N)C)=O	13
+CC(C)(C)OC(N(C)CCON)=O	670
+CC(C)Nc1c(ccc(c1)-c2ccc(cc2)CCNCc3ccccc3)C(=O)OC	2
+CC(C)(C)OC(N(CCc1ccc(cc1)-c2cc(CC(C)C)c(cc2)C(O)=O)CC(O)c3cccnc3)=O	1
+c1c(CNCCc2cccc(Cl)c2)cccc1OCCC	2
+CC(C)(C)OC(=O)N(c1ccc(cc1)N)CCc2ccccn2	0
+c1(cc(O)cc(c1)F)-c2c3c(n(CCNCc4ccccc4F)n2)ncnc3N	2
+CC(C)(C)OC(N(CCn1cnc(-c2cc3c(c(Cl)ccn3)s2)c1)CCOC)=O	7419
+c1ccccc1CN2CC(NCc3ccc(F)cc3F)CC2C(=O)N4CCN(CC4)c5ccc(cc5)C(C)=O	2
+C1CC1NCc2c(Cl)ccc(CCNC(=O)OC)c2	2
+CC(C)(C)OC(N(C)Cc1c(ccc(N)c1)N2CCOCC2)=O	0
+CC(C)(C)OC(N(Cc1c(cccc1)F)CCn2c3c(c(N)ncn3)c(n2)I)=O	2827
+CC(C)(C)OC(N(CCn1c2c(c(N)ncn2)c(n1)-c3cc(F)cc(O)c3)Cc4c(cccc4)F)=O	920
+Nc1cccc(Br)c1CNC	2
+c1ccccc1COC(CN2C(C(=NCCc3cc(CNC)ccc3)NC(Cl)=C2C)=O)=O	7420
+O=S(=O)(N(CC(C)C)Cc1cc(cc(Cl)c1)CNCC(C)C)c2cc(cc(c2O)Cl)Cl	2
+CC(C)(C)OC(N(Cc1cc(CN(S(=O)(=O)c2cc(cc(c2O)Cl)Cl)CC(C)C)cc(Cl)c1)CC(C)C)=O	92
+CC(C)(C)OC(N(CCc1cccc(Cl)c1)Cc2cc(OCCC)ccc2)=O	116
+CC(C)(C)OC(N(C1CC1)Cc2cc(ccc2Cl)CCOS(=O)(=O)c3ccc(cc3)C)=O	36
+CC(C)(C)OC(N(Cc1ccc2OCOc2c1)CCCNC)=O	132
+CC(C)(C)OC(N(Cc1cc2c([nH]c(c2)C(=O)OC)nc1)Cc3cc(N)ccc3)=O	0
+CC(C)(C)OC(N(c1ccc(cc1)C2CCCCC2)Cc3ccc(cc3)C(=O)O)=O	1
+CC(C)(C)OC(N(Cc1sc(C(=O)O)cc1)C)=O	1
+CC(C)(C)OC(=O)N(CCCN(C)c1snc(Cl)n1)Cc2ccc3OCOc3c2	4160
+CC(C)CCn1c2ccc(CNC)cc2nc1CN3c4ccccc4C(=O)N(C5CC5)C3=O	2
+CC(C)(C)OC(N(Cc1cc(CCNC2=NC(=C(N(C2=O)CC(OCc3ccccc3)=O)C)Cl)ccc1)C)=O	7421
+c1cc(ccc1N)Oc2ccc(cc2)CCNCc3ccccc3	2
+CC(C)(C)OC(N(Cc1ccccc1)CCc2ccc(cc2)Oc3ccc(cc3)NC(=O)c4ccccc4)=O	50
+CC(C)(C)OC(N(Cc1ccccc1)CCc2ccc(cc2)Oc3ccc(cc3)N)=O	0
+CC(C)(C)OC(=O)N(Cc1c(cccc1)NC(=O)c2ccc(N3CCCC3)cc2Cl)C(C)COS(=O)(=O)C	7
+CC(C)(C)OC(N(Cc1cn(c(-c2ccccc2)c1)S(=O)(=O)c3cccc(C(O)=O)c3)C)=O	1
+CC(C)(C)OC(N(Cc1cn(S(=O)(=O)c2cnccc2)c(c1)-c3cccc(CO)c3F)C)=O	41
+Ic1cc(Cl)ncc1NC	4081
+c1ccccc1CN(Cc2ccccc2)c3ncnc(Nc4c(ccc(N(C)C(=O)OC(C)(C)C)c4)C)c3[N+]([O-])=O	73
+CC(C)(C)OC(N(c1cc(c(cc1)C)N)C)=O	0
+CC(C)(C)OC(N(c1ccc(I)cc1F)C2=C(C=CC(N2C)=O)NS(=O)(=O)C3(CC3)CC=O)=O	465
+CC(C)(C)OC(N(c1ccc(I)cc1F)C=2N(C)C(=O)C=CC=2NS(=O)(=O)C3(CC3)CCO)=O	237
+CC(C)(C)OC(N(c1nc(c2c(cc[nH]2)n1)Oc3c(cc(cc3C)Br)C)c4ccc(cc4)C#N)=O	4161
+CC(C)(C)OC(N(c1ccc(cc1)C2CCCCC2)Cc3ccc(cc3)C(=O)NCC(C(=O)OC)O)=O	14
+CC(C)(C)OC(=O)N(CC(=O)OC(C)(C)C)c1nc(ccc1)C=NO	688
+CC(C)(C)OC(N(c1ccncc1)CCOc2cc(cc(C(O)=O)c2)Cl)=O	1
+CC(C)(C)OC(N(c1ccncc1)CCOc2cc(cc(c2)Cl)C(=O)N(c3cccc(c3)F)CCCn4ncnn4)=O	610
+c1cc(ccn1)NCCOc2cc(cc(Cl)c2)C(=O)N(c3cccc(c3)F)CCCn4ncnn4	396
+CC(C)(C)OC(N(c1cccc(n1)C=O)CC(OC(C)(C)C)=O)=O	178
+CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c2c(F)cc(Oc3c(-c4cc(C=O)ncc4)cc(Cl)cc3)c(F)c2	46
+CC(C)(C)OC(Nc1cc2nc(nn2cc1)N(C)C)=O	2652
+CC(C)(C)OC(Nc1nccc(c1)Oc2cnc([N+](=O)[O-])cc2)=O	4162
+CC(C)(C)OC(=O)Nc1cc(F)c(Cl)nc1	7422
+CC(C)(C)OC(=O)Nc1cc2nc(nn2cc1)-c3cccc(c3)OC	2652
+CC(C)(C)OC(Nc1ccc(cc1)Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC)=O	4163
+CC(C)(C)OC(=O)Nc1cc2c(cc1)C(=C(C(C)(C)O2)F)c3ccc(cc3)F	7423
+CC(C)(C)OC(=O)Nc1nccc(Oc2c(cc(c(F)c2)NC(C3(CC3)C(=O)Nc4ccc(cc4)F)=O)F)c1	4162
+CC(C)(C)OC(=O)Nc1cc(Oc2cncnc2)cc(Cl)c1	4163
+CC(C)(C)OC(N1CCN(CC1C)Cc2ccccc2)=O	15
+CC(C)(C)OC(N1CCN(Cc2ccccc2)CC1CCCC)=O	15
+CC(C)(C)OC(N1C2CC(C1C(N3CCCC3C#N)=O)CC2=O)=O	86
+CC(C)(C)OC(N1CC(CNC(c2cc(ccc2)C#N)=O)CC1C(=O)N3CCSC3)=O	93
+c1c(C(=O)O)cc(Cl)c(F)c1CNC(=O)C2NCC(F)C2	255
+CC(C)(C)OC(N1C(C(=O)NCc2c(c(Cl)cc(c2)C(O)=O)F)CC(C1)F)=O	1
+c1cc(ccc1)C2C(NCCC2)C(Nc3cc4c(cc3)n[nH]c4)=O	255
+CC(C)(C)OC(N1C(C(=O)N2C(C#N)CCC2)C3CC1C(C3)O)=O	10
+CC(C)(C)OC(=O)N1C(CC2(CC2)CC1)(C(O)=O)C	4
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)C)CC1C(=O)OC	7
+O=S(=O)(CC)c1ccc(CNC(=O)c2cnc3C(NCc3c2)C(C)C)nc1	2
+O=S(=O)(CC)c1ccc(cc1)CNC(=O)c2cnc3C(NCc3c2)C(C)C	2
+COc1cc(cc(OC)c1OC)C(=O)N2CC(C(N(C)C)=O)NCC2	255
+CC(C)(C)OC(N1CCC(C1C(=O)NC(Cc2ccc3ccccc3c2)C(=O)OC)N=[N+]=[N-])=O	188
+CC(C)(C)OC(N1C2C(CC1c3n(nnn3)CCC#N)CCCC2)=O	4164
+C1(NCCCC1)C(NCCCCCCCC)=O	255
+CC(C)(C)OC(N1CC(CC1C(=O)Nc2ccc(cc2)N3C(=O)COCC3)N=[N+]=[N-])=O	298
+CC(C)(C)OC(N1C(CN(C(c2cc(OC)c(c(OC)c2)OC)=O)CC1)C(O)=O)=O	4
+CC(C)(C)OC(N1CCN(CC1CO)C(=O)c2cc(OC)c(c(c2)OC)OC)=O	95
+CC(C)(C)OC(N1C(CCC1C(c2ccccc2)O)Cc3ccc(c(Br)c3)NC(Cc4nc(N)sc4)=O)=O	33
+CC1(C)CN(C(=O)CN1)c2c(ccc(F)c2)Cl	255
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3cnc(C(=O)O)cc3)=O	2828
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3cnc(C(NCC)=O)cc3)=O	81
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3cnc(cc3)C(N(C)C)=O)=O	147
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3ccc(nc3)CNCC)=O	729
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3ccc(CN(C)C)nc3)=O	729
+CC(C)(C)OC(N1C(COC1(C)C)CC(CO)C(C)C)=O	118
+CC(C)(C)OC(=O)N1C(C)(C)OCC1CC(C(O)c2ccc3c(c(cn3C)CCCOC)c2)C(C)C	1482
+CC(C)(C)[Si](C)(C)OCC(CC1N(C(OC(C)(C)C)=O)C(C)(C)OC1)CC=C	19
+CC(C)(C)OC(N1C(C)(C)OCC1CC2(CC2)CCOCc3ccccc3)=O	149
+CC(C)(C)OC(=O)NC(CO)CC1(CC1)CCOCc2ccccc2	2777
+CC(C)(C)OC(N1C(CC2(CCCCC2)F)COC1(C)C)=O	1138
+c1cc(ccc1Cl)Nc2ccc(cc2)CCC(N)CO	2122
+c1cc(ccc1)OCC(N)CO	2122
+CC(C)(C)OC(=O)N1C(COC1(C)C)Cc2ccc(cc2)Oc3ccc(cc3)OC	754
+C1CC12CC(C(=O)NC(C)c3ccc(cc3)C(=O)OC)(C)NCC2	255
+CC(C)(C)OC(N1CC(CO)CCC1C)=O	88
+c1c(Br)cc2CC(COc2c1)N(CCCN3C(CNC(C)C3)C)C(Nc4cc(Cl)c(F)cc4)=O	2
+CC(C)(C)OC(N1C(CN(c2nccnc2OCCO)CC1)C)=O	799
+CC(C)(C)OC(=O)N1CC(C)N(c2nc(-c3c(C)cccc3C)nc4CCNCc24)CC1C	25
+CC(C)(C)OC(N1C2CC(CC2)C1C(=O)NCC(c3ccc(cc3)Br)=O)=O	612
+CC(C)(C)OC(=O)N1C2CC2CC1CNCc3ccccc3	110
+CC(C)(C)OC(N1CC(=C)CC1COC(=O)c2ccc(cc2)[N+](=O)[O-])=O	2114
+CCOC(=O)C1(CC(NCC1)=O)CCOC	7424
+FC(F)(F)c1ccc(-c2c(Cl)cnc(CNC(C3CC(F)CN3)=O)c2)cn1	255
+C(NC(=O)C1CC(F)CN1)c2ccnc(Br)c2	255
+CC(C)(C)OC(N1C(CC(NC(=O)c2ccc(s2)Cl)C1)CN=[N+]=[N-])=O	133
+CC(C)(C)OC(N1CC(CC1C(=O)O)Nc2c3c(cccc3)nc(-c4ccccc4OC)n2)=O	4
+CC(C)(C)OC(N1C(CC(O)C1)CO[Si](C)(C)C(C)(C)C)=O	19
+CC(C)(C)OC(N1CC(CC1COS(=O)(=O)c2ccc(cc2)C)O)=O	36
+CC(C)(C)OC(N1CC(NC(=O)c2ccc(s2)Cl)CC1CN)=O	18
+CC(C)(C)OC(N1CC(CC1CN)NS(=O)(=O)c2c(ccc(Br)c2)OC)=O	45
+CC(C)(C)OC(=O)N1CC(CC1C#N)O	143
+CC(C)(C)OC(=O)N1C(CC(C1)OC)CO[Si](C)(C)C(C)(C)C	76
+CC(C)(C)OC(N1CC(N(C(OCc2ccccc2)=O)C(C)C)CCC1CC(OCC)=O)=O	66
+CC(C)(C)OC(N1C(CN2C(=O)c3ccccc3C2=O)CC(N=[N+]=[N-])C1)=O	298
+CC(C)(C)OC(N1C(COc2cc(cnc2)CCc3cc(CO)ccc3)CC1)=O	2829
+C1CC1(S(=O)(=O)NC(=O)C2(CC2C=C)NC(=O)C3CC4(CN3)C5(CCC5)C4(C)C)CCC	255
+CC(C)(C)OC(N1C(C(NC2(C(=O)NS(=O)(=O)C3(CC3)CCC)C(C2)CC)=O)CC4(C(C)(C)C45CCC5)C1)=O	732
+CC(C)(C)OC(N1C(C)(C)OCC1CC2(CC2)CCO)=O	347
+CC(C)(C)OC(N1C(CC2(CC2)C=C)COC1(C)C)=O	7425
+CC(C)(C)OC(NC(CO)CC1(CCCCC1)F)=O	2777
+CC(C)(C)OC(N1CC2C(CC1CNc3ccc(C(F)(F)F)nn3)C2)=O	232
+CC(C)(C)OC(N1CC2C(C2)CC1CNc3cnc(cn3)C(F)(F)F)=O	941
+CC(C)(C)OC(N1C2C(C2)CC1c3[nH]c4c(n3)ccc5cc(ccc45)Br)=O	442
+CC(C)(C)OC(=O)N1C(C)CCC(C(=N)NO)C1	409
+FC(F)(F)c1cnc(nc1)NCC2NCC(C)CC2	2
+CC(C)(C)OC(N1C(CCC(COc2ccc(cc2)C(F)(F)F)C1)C)=O	262
+FC(F)(F)c1ccc(cc1)OCC2CNC(CC2)C	2
+CC(C)(C)OC(=O)N1C(CCC(C1)Oc2nccc(I)c2Cl)C	430
+CC(C)(C)OC(N1C(c2c(CCC1)cc(C(=N)NO)cc2)CCC(OC)=O)=O	181
+CC(C)(C)OC(=O)N1C(CNCc2ccccc2Cl)(CCC1)C	110
+CC(C)(C)OC(N1C(CCC1)(C)C=O)=O	24
+CC(C)(C)OC(=O)N1C(Cn2nc(-c3ccc(cc3)Oc4c(cccc4F)F)c5c2ncnc5N)CCC1	918
+CC(C)(C)OC(=O)N1C(Cn2nc(-c3ccc(cc3)Oc4cc(F)cc(c4)F)c5c2ncnc5N)CCC1	918
+CC(C)(C)OC(=O)N1C(Cn2c3ncnc(N)c3c(-c4c(cc(Oc5ccccc5)cc4)F)n2)CCC1	920
+c1ccccc1C(O)C2NC(Cc3ccc(NC(Cc4nc(N)sc4)=O)c(Br)c3)CC2	2
+CC(C)(C)OC(N1CCCCC1C(=O)NC(C=CC(=O)OC)CC)=O	1475
+CC(C)(C)OC(N1CCCCC1C(=O)NC(Cc2cnc(cc2)Br)C(=O)N)=O	207
+c1ccccc1CCCC(CCCc2ccccc2)NC(=O)C3CCCCN3C(OC(C)(C)C)=O	9
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCCCN3C(=O)C4CCCCN4C(=O)OC(C)(C)C)=O	348
+CC(C)CC(C(=O)NCCC1CSCCN1)NC(=O)c2cc3ccccc3s2	2
+c1ccccc1COC(N2CC(CCn3ncc4ccccc34)NCC2)=O	2
+CC(C)(C)OC(N1CC(N(CCCNC2Cc3c(ccc(Br)c3)OC2)CC1C)C)=O	284
+CC(C)(C)OC(N1C(C(N(C)C)=O)CN(C(=O)c2cc(OC)c(c(c2)OC)OC)CC1)=O	10
+CC(C)(C)OC(N1C(CN(CC1)c2ccc(N)c(n2)C)C)=O	13
+CC(C)(C)OC(N1C(C)(CC)CN(Cc2cc(nc3c2c(C)nn3C4CCCCO4)-c5ccc(cc5)O)C(C)(C)C1)=O	119
+CC(C)(C)OC(N1C(CN(Cc2cnc(N(C)C(c3cnc(cc3)Oc4ccc(cc4)F)=O)cc2)CC1)C)=O	136
+CC(C)(C)OC(N1C(CN(Cc2cnc(cc2)N(C)C(c3ccc(nc3)Cl)=O)CC1)C)=O	7426
+CC(C)(C)OC(=O)N1C(C(O)=O)CN(CC1)c2ncnc3c2cc(c(Cl)c3)Br	4
+CC(C)(C)OC(=O)N1CC(CC1CN2C(=O)c3ccccc3C2=O)N	18
+CC(C)(C)OC(N1C(CC2C(C2)C1)CN)=O	45
+CC(C)(C)OC(N1CC2C(C1CN)CC(C2)C)=O	273
+CC(C)(C)OC(=O)N1CCCC1COS(=O)(=O)C	7
+CC(C)(C)OC(=O)N1CCCC1COS(=O)(=O)c2ccc(cc2)C	36
+CC(C)(C)OC(=O)N1C(CCC1)CN2N=C(Cc3ccc(cc3)Cl)c4c(cccc4)C2=O	7427
+CC(C)(C)OC(N1C(C)(C)OCC1COc2ccccc2)=O	20
+CC(C)(C)OC(N1C(CC(=O)C1)COC(=O)c2ccc(cc2)[N+](=O)[O-])=O	86
+CC(C)(C)OC(N1C(C)(C)OCC1CC(C=O)C(C)C)=O	24
+CC(C)(C)OC(=O)N1C(C)(C)OCC1CC2COCCC2	1117
+CC(C)(C)[Si](C)(C)OCC1C(C)=CC(CN1)N(OCC=C)S(=O)(=O)c2c(cccc2)[N+]([O-])=O	366
+CC(C)(C)OC(=O)N1C(C=C(C(=O)N(C)C)C(N(S(=O)(=O)c2c(cccc2)[N+](=O)[O-])OCC=C)C1)CO	35
+CC(C)(C)OC(N1C(COc2cc(cnc2)CCc3cccc(CNS(=O)(=O)C)c3)CC1)=O	111
+CC(C)(C)OC(N1C(COc2cc(cnc2)CCc3cccc(c3)CN=[N+]=[N-])CC1)=O	1298
+CC(C)(C)OC(N1C(COc2cc(cnc2)CCc3cc(CCl)ccc3)CC1)=O	438
+CC(C)(C)OC(N1C(COc2cc(CCc3cc(ccc3)CN)cnc2)CC1)=O	18
+CC(C)(C)OC(N1C(CCNC(C(NC(=O)c2cc3ccccc3s2)CC(C)C)=O)CSCC1)=O	9
+c1cc(ccc1F)Cn2c3CNC(CN)Cc3c4c2cccc4	2
+CC(C)(C)OC(N1Cc2c(cccc2)CC1C(=O)NCC(c3ccccc3)=O)=O	612
+CC(C)(C)OC(N1C(CO)Cc2c3ccccc3n(Cc4ccc(cc4)F)c2C1)=O	21
+CC(C)(C)OC(N1C2C(OC1=O)CCN(c3ccncc3N)C2)=O	13
+CC(C)(C)OC(=O)N1C(c2ccc(-c3nc(on3)-c4ccc(c(c4)Cl)OC(C)C)cc2CCC1)CCC(=O)OC	3811
+C1CN(CCO1)c2nc3cc(ccc3cc2C4CCCN4)F	2
+CC(C)(C)OC(=O)NC1C(CCCC1)Nc2c(c3CN(C(OC(C)(C)C)=O)C(c3c(Cl)n2)=O)F	70
+c1(C2NCCC2)cc(ccc1F)F	2
+C1COCCN1C2=CC(=O)c3cc(C(=O)OC)cc(C4NCCC4)c3O2	2
+c1(cc(nc(-n2ccnc2)n1)C3NCCC3C(=O)NC)C	2
+CC(C)(C)OC(N1C(c2ccc(c(c2)F)C(O)=O)CCC1)=O	1
+CC(C)(C)OC(=O)N1CCCC1c2ccc(c(c2)F)-c3nc4c(cccc4C(N)=O)[nH]3	1127
+FC(F)(F)c1cc(-n2c(C)nnn2)cc(COC3CCCN(C3c4ccccc4)C(=O)OC(C)(C)C)c1	7428
+c1cc(ccc1F)Cn2nc(C3NCC4CCCN4C3)cc2	2
+C1(NCCC1)c2sc(-c3nc4cccc(C(=O)N)c4[nH]3)cc2	2
+CC(C)Oc1c([N+]([O-])=O)ccc(N2CCC3(CCCN3)C2)c1	2
+CC(C)(C)OC(=O)N1C2(CCN(CC2)C(=O)c3ccc(cc3)-c4cn5c(-c6ccc(cc6)C#N)cnc5cc4)CCCC1	30
+C1C2CC3CC1(CC(C2)C3)NC(=O)N4CC5(C4)NCC5	2
+CC(C)(C)OC(N1C(C(=O)O)C2CC1C(C2)O)=O	3
+c1cc(ccc1)COC(N2CC3NCCC3C2)=O	2
+CC(C)(C)OC(=O)N1C2CC2CC1CO	44
+CC(C)(C)OC(=O)N1C2CCCC2CC1CNC(=O)c3cccc4c3CCO4	14
+CC(C)(C)OC(=O)N1C2CCCC2CC1CNC(=O)c3c(C)nc4n3ccs4	312
+CC(C)(C)OC(=O)N1C2CCCCC2CC1c3[nH]nnn3	2612
+CC(C)(C)OC(N1C2C(n3c(c(C(O)=O)c(I)n3)C1)COC2)=O	6
+CC(C)(C)OC(=O)N1C(=O)OC2CCN(c3c(cncc3)NC(c4nc(ccc4N)-c5c(F)cccc5F)=O)CC12	510
+CC(C)(C)OC(N1Cc2c(C(=O)N)c(nn2C3C1COC3)I)=O	1356
+CC(C)(C)OC(N1C2CC(CC1CC2)c3ccc(cc3)N4CCN(CC4)S(=O)(=O)C)=O	191
+CC(C)(C)OC(N1C(C(N2C(C#N)CCC2)=O)C3CC1C(OCC(N)=O)C3)=O	83
+CC(C)(C)OC(N1C(C(=O)N2C(C#N)CCC2)C3CC1C(C3)O)=O	100
+CC(C)(C)OC(=O)N1C2CC(C1CC2)CN=[N+]=[N-]	133
+CC(C)(C)OC(=O)N1C(CN)C2CCC1C2	273
+C1CC2CC(CC1N2)(Cn3ncnc3)C4CCCCC4	2
+CC(C)(C)OC(N1C2CC(CC1CC2)(c3ccccc3)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(COS(=O)(=O)C)C3CCCCC3	2820
+c1cc(ccc1C2CC3CCC(C2)N3)N4CCN(CC4)S(=O)(=O)C	2
+CC(C)(C)OC(=O)N1C(C2CCC1C2)c3[nH]c(-c4ccc(cc4)Br)cn3	4165
+FC(F)(F)C(NCC1CC2CC2N1C(=O)OC(C)(C)C)=O	659
+o1c(-c2csc(c2)Cl)cc(n1)C3NC4CC4C3	2
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)C#N	881
+C1C2CCC(CC1NC(CCCc3cnn[nH]3)=O)N2	2
+CC(C)(C)OC(=O)N1C2CNCC1CC2	25
+CC(C)(C)OC(=O)N1C(CC2CCCC12)CNCc3ccccc3	110
+CC(C)(C)OC(N1CC2CC1CN2c3nc(cc4nccn34)-c5cc(NCc6c7c(cccc7)ccc6)ncc5)=O	70
+CC(C)(C)OC(=O)N1CCC(=C(C(OC)=O)C1)c2ccc(cc2)OCc3onc(-c4c(F)ccc(F)c4Cl)c3	20
+c1cc2CCN(CC(CN3CCNCC3=O)O)Cc2cc1	255
+CC(C)(C)OC(N1CC(=O)N(CC(O)CN2Cc3c(cccc3)CC2)CC1)=O	170
+CC(C)(C)OC(N1CCN(Cc2c(ccc(OS(=O)(=O)C)c2)Cl)C(C1)=O)=O	806
+CC(C)(C)OC(=O)N1CCN(C(=O)C1)c2nc3c(cc2)cc(C#N)cc3	7429
+CC(C)(C)OC(=O)N1CCN(c2c3c(n(c2)CC)nc(cc3)F)C(C1)=O	7430
+CC(C)(C)OC(=O)N1CC(CCC1)C(=N)NO	409
+CC(C)(C)OC(=O)N1CC(C=2CC(=O)n3c(ccn3)N=2)CC1	1085
+CC(C)(C)OC(=O)N1CC(CC(C#N)C1)N(CC(C)C)C(c2nc3ccccc3n2CCCCOC)=O	143
+c1ccccc1COC(N2C(C(N3CCOCC3)=O)CNCC2)=O	2
+c1cc(ccc1)CNC(C2CNCC2CN(C(c3cc(c(cc3)OC)OCCCOC)=O)C(C)C)=O	2
+CC(C)(C)OC(N1CC(CCC1C)c2nc3c(ccc(Cl)c3)o2)=O	2037
+CC(C)(C)OC(N1CCC(C(C1)C(OC)=O)CCC(c2c(F)cnc3ccc(OC)cc23)=O)=O	167
+CC(C)(C)OC(N1CC(C(Nc2ccc(cc2)Cl)=O)CC(N=[N+]=[N-])C1)=O	33
+CC(C)(C)OC(N1CC(CO)(Cc2ccccc2F)CCC1)=O	95
+CC(C)(C)OC(=O)N1CC(Cc2ccccc2)C(CO)(F)C1	44
+c1ccccc1COC(C2CNCCO2)=O	2
+CC(C)(C)OC(C1CN(C(=O)OC(C)(C)C)CC1C(=O)N(C)OC)=O	1885
+CC(C)(C)OC(N1CCC(C(C1)OC)N)=O	316
+CC(C)(C)OC(=O)N1CC(N(C)C)C(NC(=O)c2nc(c(Cl)[nH]2)CC)CC1	855
+CC(C)(C)OC(=O)N1CC(C(CC1)NC(OCc2ccccc2)=O)C(O)=O	3
+CC(C)(C)OC(N1CCC(C(OCc2cc(OCc3ccccc3)c4ccccc4c2)C1)c5cccc(c5)C(=O)OC)=O	555
+CC(C)(C)OC(=O)N1CCC(C(C1)COC)c2ccc(cc2)Cl	21
+CC(C)(C)OC(=O)N1CC(C(c2ccc(cc2)OCCCOCc3c(F)cccc3)CC1)=O	8
+CC(C)(C)OC(N1CC(OCc2cc(OCc3ccccc3)c4ccccc4c2)C(CC1)c5cccc(CF)c5)=O	2672
+CC(C)NCC1C(CNC1)CN(C(c2ccc(c(c2)OCCCOC)OC)=O)C(C)C	2
+CC(C)(C)OC(N1CC(CNC(=O)C(CC(C)C)NC(c2cc3ccccc3s2)=O)C(O)C1)=O	1816
+CC(C)(C)OC(N1CC(C(CNC(C(CC(C)C)N)=O)C1)O)=O	334
+c1(ccc2c(n1)NC(=O)CS2)CN(C(=O)C3CNCCO3)C	2
+CC(C)(C)OC(N1CCC(C(=O)C)C1)=O	2830
+CC(C)(C)OC(N1CCC(C(=O)C)C1)=O	591
+CC(C)(C)OC(=O)N1CC(CC1)C(c2ncc(Br)cc2)=O	7431
+c1cc(ccc1NC(=O)C2CNCC(C2)N=[N+]=[N-])Cl	2
+CC(C)(C)OC(N1CC(N(CC1)C)c2nc(no2)-c3ccc(cc3)F)=O	859
+CC(C)(C)OC(N1CC(c2cc(ccc2C1)OC)C(O)=O)=O	4
+CC(C)(C)OC(=O)N1CCC(C(C1)CN)OC	18
+CC(C)(C)OC(=O)N1CC(C(C(=O)OCC)C1)C=O	24
+CC(C)(C)OC(N1CC(C(OCC1)c2cc(c(Cl)cc2)Cl)CC#N)=O	300
+CC(C)(C)OC(=O)N1CCOC(c2cc(Cl)c(cc2)Cl)C(CN=[N+]=[N-])C1	133
+CC(C)(C)OC(N1CC(C(OCC1)c2ccc(Cl)c(c2)Cl)CC(N)=NO)=O	609
+CC(C)(C)OC(N1CC(C(OCC1)c2ccc(Cl)c(c2)Cl)Cc3nc(C)on3)=O	7432
+CC(C)(C)OC(N1CC(c2ccc(c(Cl)c2)Cl)C(C(O)=O)C1)=O	4
+CC(C)(C)OC(N1CC(C(c2ccc(cc2)OCC(OCC)=O)CC1)OCc3ccc4c(cccc4)c3)=O	52
+CC(C)(C)OC(=O)N1CC(C)(C)NCC1C(C)C	25
+CC(C)(C)OC(N1C(CN(Cc2c3c(C)nn(C4CCCCO4)c3nc(c2)Br)C(C)(C)C1)(C)CC)=O	2141
+CC(C)(C)OC(N1CC(C)CCC1CNc2nc(C)cc(C)n2)=O	96
+FC(F)(F)c1cc(NCC2CCC(CN2C(OC(C)(C)C)=O)C)ncc1	182
+CC(C)(C)OC(N1CC(CCC1CNc2ccc(cn2)C(F)(F)F)C)=O	70
+CC(C)(C)OC(N1C(CCC(C1)C)CNc2ncc(cn2)C(F)(F)F)=O	96
+c1(nc(nc(C)c1)NCC2CCC(CN2)C)C	2
+CC(C)(C)OC(N1CC(C)N(CC1)c2ccc(nc2)N)=O	161
+CC(C)(C)OC(N1CC(C)N(c2cnc(cc2)NC3=CC(=CN(C3=O)C)Br)CC1)=O	523
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)N3C(CNCC3)C)Br	2
+N12C(CNCc3c1c(ccc3)C(CF)CC2)C	2
+CC(C)(C)OC(N1CC(C)N2CCC(CF)c3cccc(c23)C1)=O	2831
+CC(C)(C)OC(=O)N1CC(C1)(CNC(=O)c2c(ccc(F)c2Cl)F)C3CCCCN3C	93
+C1C(CN1)(c2cc(cc(F)c2)Cl)O	2
+CC(C)(C)OC(N1CC(C1)(O)c2cc(cc(F)c2)Cl)=O	251
+O=S(=O)(NC(C1CNC1)=O)Cc2ccccc2	2
+CC(C)(C)OC(N1CC(C1)c2[nH]c3c(cc(C)cc3)n2)=O	791
+CC(C)(C)OC(N1CC(C1)c2[nH]c3cc(ccc3n2)Cl)=O	791
+CC(C)(C)OC(N1CC(C1)C(c2ccccc2OC)=O)=O	832
+CC(C)(C)OC(=O)N1CC(C1)CO	21
+CC(C)(C)OC(N1CC(C1)C(N(OC)C)=O)=O	164
+CC(C)(C)OC(=O)N1CC(C1)c2nc(no2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C	859
+CC(C)(C)OC(=O)N1CC(C1)Cc2c(OC)cccc2	165
+C1CN(CCC1C2CNC2)C(=O)c3sccn3	2
+CC(C)(C)OC(N1CC(C1)CCO)=O	21
+CC(C)(C)OC(=O)N1CC(C1)Cc2onc(-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)n2	859
+CC(C)(C)OC(N1CC(C1)CCOc2cccc(Oc3ccc(cc3)Cl)c2)=O	20
+CC(C)(C)OC(N1CC(C1)Cn2nccc2)=O	1593
+CC(C)(C)OC(=O)N1CC(C1)c2c(c(C(C)=O)cc(c2C)Cl)OC	2832
+CC(C)(C)OC(=O)N1CC(C1)c2c(c(cc(C(=O)C)c2OC)Cl)F	2832
+CC(C)(C)OC(=O)N1CC(C1)c2cc(c(cc2)OCc3ccc(cc3)C4CC4)OC	2832
+CC(C)(C)OC(N1CC(C1)Nc2cncc(N3C(c4c(cc(cc4)Cl)C3(C)C)=O)c2)=O	7433
+CC(C)(C)OC(=O)N1CC(C1)NC(Nc2cc(F)c(cc2)Oc3c4c(ncc3)cc(s4)-c5ccc(cn5)C6OCCO6)=O	1337
+CC(C)(C)OC(N1CC(C1)NC(CNC(=O)OCc2ccccc2)=O)=O	9
+C1CN(CCN1C2CNC2)C(c3sccn3)=O	2
+CC(C)(C)OC(N1CC(C1)NC(=O)CNc2c3cc(C(F)(F)F)cnc3ccn2)=O	7434
+FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C(OC(C)(C)C)=O)c2c1	2801
+CC(C)(C)OC(N1CC(C1)NC(=O)CN)=O	334
+CC(C)(C)OC(N1CC(C1)NC2CNCC2)=O	62
+C1C(CN1)NC2CN(CC2)C(=O)c3ccccc3	2
+CC(C)(C)OC(N1CC(C1)NC2CCN(C(c3ccccc3)=O)C2)=O	30
+CC(C)(C)OC(=O)N1CC(C1)n2c(ccn2)-c3c(ccc(c3)Cl)O	2008
+CC(C)(C)OC(=O)N1CC(C1)n2nccc2-c3cc(ccc3O)C(F)(F)F	2008
+CC1(C)c2c(C(N1c3cc(NC4CNC4)cnc3)=O)ccc(Cl)c2	2
+CC(C)(C)OC(N1CC(C1)Oc2n(-c3ccnc(N)n3)c4c(n2)ccc(Br)c4)=O	7435
+FC(F)(F)c1c(cccc1)COC2CN(C2)C(=O)OC(C)(C)C	149
+CC(C)(C)OC(N1CC(C1)Oc2c(C=O)c(cc(Cl)c2)F)=O	57
+CC(C)(C)OC(N1CC(C1)OCC2CCN(CC2)c3ncc(cn3)CC)=O	967
+C1C(CN1)OCCN2C(C(=Cc3cnc(NCC)nc23)c4ccc(-c5nc(C)cnc5)cc4Cl)=O	2
+CC(C)(C)OC(N1CC(C1)OCCN2C(C(=Cc3cnc(NCC)nc23)c4ccc(-c5nc(C)cnc5)cc4Cl)=O)=O	306
+CC(C)(C)OC(N1CC(C1)OCCN2c3nc(ncc3C=C(C2=O)c4ccc(-c5nc(C)cnc5)cc4Cl)SC)=O	1597
+CC(C)(C)OC(N1CC(C1)OCCN2C(C(=Cc3cnc(S(=O)C)nc23)c4ccc(-c5nc(C)cnc5)cc4Cl)=O)=O	172
+CC(C)(C)OC(N1CC(C1)OCCN2C(C(Br)=Cc3cnc(SC)nc23)=O)=O	7436
+CC(C)(C)OC(N1CC(C1)Oc2cc3c(OCC4=NNC(=O)C(C)N34)cc2C(C)C)=O	1382
+CC(C)(C)OC(=O)N1CC(C1)Oc2cc(cc(c2O)F)Cl	7437
+CC(C)(C)OC(N1CC(C1)Oc2c(ccc(c2)Cl)OCC(=O)OCC)=O	7438
+CC(C)(C)OC(N1CC(C1)Oc2cc(Cl)ccc2OCC(=O)O)=O	3
+CC(C)(C)OC(N1CC(C1)Oc2c(ncnc2-c3c(c(cc(F)c3)NC(c4c(cc(C5CC5)cc4)F)=O)C)N)=O	379
+CC(C)(C)OC(N1CC(C1)Oc2c(OCc3nc(C)no3)ccc(Cl)c2)=O	1166
+CC(C)(CN1C(c2[nH]c3ccccc3c2CC1C)c4c(cc(cc4F)OC5CNC5)F)F	2
+CC(C)(C)OC(N1CC(C1)Oc2cc(F)c(c(c2)F)C3c4[nH]c5ccccc5c4CC(N3CC(C)(C)F)C)=O	7439
+C1CN(CCO1)Cc2ccc(cc2OC)OC3CNC3	2
+CC(C)(C)OC(N1CC(C1)Oc2c(C(C)=C)cc3c(N4C(C)C(=O)NN=C4CO3)c2)=O	4166
+CC(C)(C)OC(N1CC(C1)Oc2cc3c(cc2)OCC=4N3C(C)C(=O)NN=4)=O	2833
+CC(C)(C)OC(N1CC(C1)Oc2cc3c(OCC(=S)N3C(C)C(OCC)=O)cc2)=O	199
+C1NCC1Oc2nc3c(n2-c4ccnc(N)n4)cc(Br)cc3	2
+C1NCC1c2[nH]c3c(cc(C)cc3)n2	2
+C1C(CN1)c2[nH]c3c(cc(Cl)cc3)n2	2
+CC(C)n1ncnc1-c2sc3c(-c4c(cc(C5CNC5)cc4)OCC3)n2	2
+CC(C)(C)OC(N1CC(C1)c2ccc(c(F)c2)N(C)c3ncc4c(n(C)cn4)c3)=O	1121
+C1C(CN1)c2ccc(c(c2)F)N(C)c3ncc4c(n(C)cn4)c3	2
+CC(C)(C)OC(N1CC(C1)c2ccc(Nc3ncc4c(n(cn4)C)c3)c(c2)F)=O	1504
+c1cc(ccc1-c2ncn(C3CNC3)c2-c4nc(ncc4)N)F	2
+CC(C)(C)OC(N1CC(C1)n2c3nccc(NS(=O)(=O)c4ccccc4)c3c(-c5cc6c(CCN6C)cc5F)c2)=O	7440
+c1cc(ccc1)S(=O)(=O)Nc2ccnc3n(C4CNC4)cc(-c5cc6c(CCN6C)cc5F)c23	2
+CC(C)(C)OC(N1CC(C1)n2c3c(c(c2)-c4c(cc5CCN(c5c4)C)F)c(Br)ccn3)=O	4167
+CC(C)(C)OC(=O)N1CC(N(OCC=C)S(=O)(=O)c2c(cccc2)[N+]([O-])=O)C=C(C1C(=O)N)C	7441
+CC(C)(C)OC(=O)N1CC(C(CNC(C)C)C1)Cc2ccccc2	110
+CC(C)(C)OC(=O)N1CCC(C1)C=C	2142
+CC(C)(C)OC(N1CC(C(=O)O)CC(NC(OCc2ccccc2)=O)C1)=O	4
+CC(C)(C)OC(=O)N1CC(N2C(c3c(-c4c(Cl)cccc24)noc3C)=O)CC(C(O)=O)C1	3
+CC(C)(C)OC(N1CC(Nc2ccc(cc2)C=3C(=O)N4C=CC=CC4=NC=3NC(C)C)CC1)=O	205
+CC(C)(C)OC(N1CCC(Nc2nc3c(sc4ccccc34)c(N(C)C)n2)C1)=O	798
+CC(C)(C)OC(N1CCC(NC(=O)Nc2ccc3c(n(-c4ccccc4)nc3SC)c2)C1)=O	675
+CC(C)(C)OC(N1CCC(Nc2c3c(cccc3cc(n2)C#N)Cl)C1)=O	70
+CC(C)(C)OC(N1CCC(Nc2c3cc(Cl)ccc3cc(C#N)n2)C1)=O	70
+CC(C)(C)OC(=O)N1CCC(C1)NCc2c(Cl)cc(cc2)Cl	42
+CC(C)(C)OC(=O)N1CC(Nc2nc(C#N)cc3ccccc23)CC1	70
+CC(C)(C)OC(N1CCC(NC(OCc2ccccc2)=O)C1)=O	2834
+CC(C)(C)OC(=O)N1CC(CC1)Nc2c(cc(S(=O)(=O)N)cc2)[N+]([O-])=O	60
+CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1	71
+CC(C)(C)OC(N1CC(CC1)Nc2c3cc(ccc3cc(Cl)n2)F)=O	70
+CC(C)(C)OC(=O)N1CCC(C1)Nc2cc(Cl)c(cc2)F	250
+CC(C)(C)OC(=O)N1CCC(C1)Nc2cc(c(C#N)cc2)Cl	60
+CC(C)(C)OC(N1CC(CC1)NC(=O)c2cc3nccc(c3s2)Oc4ccc([N+]([O-])=O)cc4F)=O	1256
+CC(C)(C)OC(=O)N1CCC(C1)NC(=O)c2ccc(cc2)-n3c4ccccc4nc3C	14
+CC(C)(C)OC(N1CC(Nc2ccc(cc2)C3=C(OC)N=C4C=CC=CN4C3=O)CC1)=O	205
+CC(C)(C)OC(=O)N1CC(NCc2ccc(cc2)Cl)CC1	42
+CC(C)(C)OC(=O)N1CC(CC1)Nc2c3c(n(CC)c(C(=O)OC)n3)ncn2	516
+CC(C)(C)OC(N1CCC(C1)Nc2cc(-c3c(cccc3)O)nc4c2cccc4)=O	105
+CC(C)(C)OC(N1CC(NC(=O)COCCN(C)C)CC1)=O	28
+CC(C)(C)OC(N1CC(CC1)NC(=O)c2cc3nccc(c3s2)Oc4ccc(N)cc4F)=O	0
+CC(C)(C)OC(N1CCC(Nc2c3c(ccc(c3)F)cc(C#N)n2)C1)=O	577
+CC(C)(C)OC(=O)N1CCC(Oc2c3c(cccc3Cl)cc(n2)C#N)C1	91
+CC(C)(C)OC(N1CCC(OS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(N1CC(CC1)OCc2ccccc2)=O	149
+c1ccccc1COC2CNCC2	2
+CC(C)(C)OC(N1CCC(n2c(c(-c3ccc(cc3)Oc4ccccc4)c5c(N)ncnc25)C(=O)N)C1)=O	2835
+CC(C)(C)OC(N1C(C(Nc2ccc(cc2)N3C(=O)COCC3)=O)CC(OS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(=O)N1CC(CC1C(N(C)C)=O)Nc2nc(nc3ccccc23)-c4ccccc4OC	10
+CC(C)(C)OC(=O)N1CC(CC1C(OC)=O)c2ccccc2	325
+CC(C)(C)OC(=O)N1C(C(NC2(CC2C=C)C(=O)OCC)=O)CC(OC(=O)N3Cc4c(F)cccc4C3)C1	1468
+CC(C)(C)OC(=O)N1CC(CC1C(O)=O)OC	4
+CC(C)(C)OC(=O)N1C(CC(Nc2ccc(cc2[N+](=O)[O-])Br)C1)CO	60
+CC(C)(C)OC(N1CC(CC1CN=[N+]=[N-])O)=O	254
+CC(C)(C)[Si](C)(C)OC1CNC(C1)COc2c3c(ncnc3Nc4cc(c(F)cc4)Cl)cc(OC)c2	2
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)C)CC1Cc2c3ccccc3[nH]c2C	7
+Clc1cccc(C(C2CCCNC2)(O)CCCCOC)c1	2
+CC(C)(C)OC(N1CCCC(C(c2cccc(Cl)c2)(OC)CCCCOC)C1)=O	76
+CC(C)(C)OC(N1CC(Cn2c(nc3c2nc(nc3)NCc4ccc(F)c(F)c4)-c5c(Cl)cccc5F)CCC1)=O	4168
+CC(C)(C)OC(=O)N1CC(CCC1)CI	572
+CC(C)(C)OC(N1CC(CCC1)NC(c2ccc(cc2)Nc3nc(c(F)cn3)-c4n(C(C)C)c(nc4)C)=O)=O	4169
+c1cc(ccc1Nc2nc(c(F)cn2)-c3n(C(C)C)c(nc3)C)C(=O)NC4CCCNC4	2
+CC(C)(C)OC(N1CCCC(C1)c2c3c(NC(=O)NC3=O)nc(-c4c(cccc4)OCc5ccccc5)c2)=O	7442
+CC(C)(C)OC(N1CC(n2nc(-c3ccc(cc3)Oc4c(ccc(F)c4)F)c5c(N)ncnc25)CCC1)=O	918
+CC(C)(C)OC(N1CC(n2nc(-c3ccc(cc3)Oc4cccc(F)c4)c5c(N)ncnc25)CCC1)=O	918
+CC(C)(C)OC(=O)N1CCCC(n2nc(-c3ccc(cc3)Oc4c(cccc4)F)c5c(ncnc25)N)C1	920
+Clc1ccc2c(nc(C3CNC(C)CC3)o2)c1	2
+FC(F)(F)c1ccc(NCC2CCC(CN2)C)nc1	2
+CC(C)(C)OC(N1CC(C(OC)CC1)CN=[N+]=[N-])=O	76
+CC(C)CC(C(NCC1C(O)CNC1)=O)NC(c2cc3ccccc3s2)=O	2
+CC(C)(C)OC(=O)N1CC(CC1C(N2CCSC2)=O)CNC(=O)c3cccc(-c4nnn[nH]4)c3	424
+FC(F)(F)C(=O)N(CC1CN(C(OC(C)(C)C)=O)CCC1)Cc2ncc3c(c2)OCCO3	7443
+CC(C)(C)OC(N1CCCC(Cc2c(F)cccc2)(C1)COC)=O	76
+CC(C)(C)OC(N1C(CCC(C1)COS(=O)(=O)C)C)=O	7
+CC(C)(C)OC(=O)N1CC(C(O)=O)CCC1C	1405
+CC(C)(C)OC(=O)N1c2c(ccc(c2)[N+](=O)[O-])C(CCl)C1	1507
+CC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)C(CO)C1	682
+CC(C)(C)OC(=O)N1CC(CSCc2ccccc2)CC1	786
+CC(C)(C)OC(=O)N1CCC(Cn2c(C)c(nc2-c3ccc(cc3)Br)C)C1	1193
+CC(C)(C)OC(=O)N1CC(CC1)CSCc2ccc(cc2)F	786
+CC(C)(C)OC(N1CCOC(CN=[N+]=[N-])C1)=O	133
+C1CC(F)(COc2c3cccnc3cc(-c4cnn(CC)c4)n2)CNC1	2
+c1(c(c(Cl)ccc1)-c2n(c3c(cnc(n3)NCc4cc(F)c(cc4)F)n2)CC5CNCCC5)F	2
+CC(C)(C)OC(N1CC(OCC1)Cn2ncc(c2)Nc3ncnc(Cl)n3)=O	4170
+CC(C)(C)OC(=O)N1CC(C(F)(C1)CN(C(C2CC(Nc3c2cccc3)=O)=O)C4CC4)Cc5ccccc5	10
+CC(C)(C)OC(N1CCC(C(F)(F)C1)CNc2nc(ncc2C=O)SC)=O	40
+CC(C)(C)OC(N1CC(F)(F)C(=O)CC1)=O	86
+CC(C)(C)OC(=O)N1CC(F)(F)CC1C=CC(OCC)=O	1667
+CC(C)(C)OC(N1CCC(C(C1)F)OS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1CCC(OC(=O)c2ccccc2)C(F)C1)=O	279
+CC(C)(C)OC(N1C2(COCCOC2)C(=O)N(CC(=O)O)C(c3cc(F)ccc3)C1)=O	4
+CC(C)(C)OC(=O)N1CC(CCC1CC(=O)O)N(C(OCc2ccccc2)=O)C(C)C	3
+CN(c1nc(cc2c1cccc2)C=3NC(=O)NN=3)C4CCNC4	2
+CC(C)(C)OC(=O)N1CC(N(C2CCC(C)(C)CC2)C(C)=O)CC1C(=O)O	4
+CC(C)(C)OC(=O)N1Cc2n(CC1)ccc2C#N	7444
+CC(C)(C)OC(=O)N1CC(C(=O)O)CC(N(C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C)C)C1	4
+CC(C)(C)OC(=O)N1CC(C(OC)=O)N(C(=O)C=Cc2cccc(c2)Cl)CC1	325
+FC(F)(F)C(NCC1N(CCOCCO)CCN(C1)C(OC(C)(C)C)=O)=O	659
+c1ccccc1CN2CCNCC2C	2
+CC(C)(C)OC(N1CC2(CC2)N(Cc3ccccc3)CCC1)=O	4101
+CC(C)(C)OC(N1C(C)CN(C(C)C1)CCCN(C(=O)Nc2cc(Cl)c(cc2)F)C3COc4c(cc(Br)cc4)C3)=O	326
+c1cc(ccc1CN2CCNCC2C)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5	2
+CC(C)(C)OC(=O)N1C(CN(C(C1)CCl)Cc2ccccc2)C	1507
+CC(C)(C)OC(N1CCCC(C1)Nc2cc(nc(SC)n2)OC)=O	40
+CC(C)(C)OC(=O)N1CC(Nc2c3c(ccs3)ncc2[N+](=O)[O-])CCC1	1972
+CC(C)(C)OC(=O)N1CC(Nc2c(F)cnc(Cl)n2)CCC1	40
+CC(C)(C)OC(=O)N1CC(Nc2c3c(sc(Br)c3)c(cn2)C#N)CCC1	2500
+CC(C)(C)OC(N1CCCC(NC(c2c(N)ncc(Br)n2)=O)C1)=O	312
+CC(C)(C)OC(N1CCCC(Nc2c(F)cnc(-c3c4cc(cnc4n(S(=O)(=O)c5ccc(cc5)C)c3)Cl)n2)C1)=O	7445
+CC(C)(C)OC(N1CCCC(Nc2nc3ccc(cc3s2)Oc4ccnc(Cl)c4)C1)=O	2032
+CC(C)(C)OC(N1CCCC(C1)Nc2nc(nc(c2)C)N=C(Nc3ccc(c(c3)Cl)Cl)N)=O	7446
+CC(C)(C)OC(=O)N1CC(CCC1)Nc2c3nc(-c4c(cccc4)Cl)n(c3ncn2)-c5ccc(cc5)Cl	516
+CC(C)(C)OC(N1CC(CCC1)NC(=O)c2ccc(cc2)I)=O	93
+CC(C)(C)OC(N1CCCC(Nc2nc(-c3cnc4ccc(cn34)C#N)ncc2)C1)=O	7447
+CC(C)(C)OC(=O)N1CC(CC(CN=[N+]=[N-])C1)N2C(c3c(noc3C)-c4c(Cl)cccc24)=O	133
+CC(C)(C)OC(=O)N1CC(NC(OCc2ccccc2)=O)C(C(Nc3ccccc3)=O)C1	33
+CC(C)(C)OC(N1CC(NC(=O)c2ccc(s2)Cl)CC1CNC(=O)C)=O	68
+CC(C)(C)OC(=O)N1CC(NC(=O)OCc2ccccc2)C(CC1)N	18
+CC(C)(C)OC(=O)N1CCN(C(c2ccc(cc2)Cl)=O)C(C(=O)OC)C1	4171
+CC(C)(C)OC(N1CCC(C(O)C1)N)=O	18
+CC(C)(C)OC(=O)N1CC(OC)C(CC1)N=[N+]=[N-]	76
+CC(C)(C)OC(=O)N1CC(O)CC(C1)C(OC)=O	167
+CC(C)(C)OC(=O)C1N(CC(OS(=O)(=O)C)C1)C(=O)OC(C)(C)C	7
+FC(F)c1cc(Nc2cc(C)cc(-c3nnn(CC4OCCNC4)c3)n2)ncc1	2
+CC(C)(C)OC(N1CC(Cn2ncc(N)c2)OCC1)=O	209
+CC(C)(C)OC(=O)N1CC(Cn2ncc(Nc3ncnc(N4CCN(CC4)c5ncc(cn5)C#CC6CC6)n3)c2)OCC1	436
+c1cc(ccc1)C(c2ccccc2)=Nc3ncc(cc3)C4CN(C(=O)OC(C)(C)C)CCO4	4156
+CC(C)(C)OC(N1CCOC(c2cnc(Nc3ncc(Cl)cc3)cc2)C1)=O	346
+CC(C)(C)OC(N1CC(C(c2ccc(cc2)O)CC1)OCc3ccc4c(cccc4)c3)=O	1691
+CC(C)(C)OC(=O)N1CC(CC(N=[N+]=[N-])C1)C(OC)=O	298
+CC(C)(C)[Si](C)(C)OC1CN(C(OC(C)(C)C)=O)CC(CNc2c3nccnc3cc(Cl)n2)C1	1679
+CC(C)(C)OC(N1CC(O[Si](C)(C)C(C)(C)C)CC(C1)CN)=O	18
+O=S(=O)(c1ccccc1Cl)C2CC(NC2)C(OC)=O	4084
+CC(C)(C)OC(=O)N1c2c(c3c(cccc3)c(c2)NC(=O)OCC(SSc4ccccn4)C)C(CCl)C1	3929
+CC(C)(C)OC(=O)N1CC(CCl)c2c1cc(c3ccccc23)NC(=O)OCC4c5ccccc5-c6ccccc46	90
+CC(C)(C)OC(N1CC(CCl)c2c3cccnc3c(cc12)O)=O	321
+c1ccccc1COc2c3c(cccn3)c4c(NCC4CCl)c2	396
+c1ccccc1COc2c3c(cccn3)c4C(CCl)CN(C(=O)c5[nH]c6c(c5)cc(OCCN(C)C)cc6)c4c2	7448
+c12ccccc1[nH]cc2C3C(CNC3)c4c5cccc6CCCn(c4)c56	2
+CC(C)(C)OC(N1CC(OC)c2cc(ccc2C1)OCC3CC3)=O	76
+CC(C)(C)OC(N1CC(O)c2c(C1)ccc(O)c2)=O	16
+CC(C)(C)OC(=O)N1CC(c2c(ccc(OC)c2)C1)CO	21
+CC(C)(C)OC(N1CCC(c2ccc(cc2)B3OCC(CO3)(C)C)C1)=O	734
+c1cc(ccc1C2(CCNC2)O)Cl	2
+FC1(F)CCC(CC1)OC(Nc2ccc(cc2)C3CCNC3)=O	2
+c1ccccc1C2C(CNC2)CN3CCC4(CC3)CCN(Cc5ccc(cc5)Br)C4=O	2
+CC(C)(C)OC(=O)N1CC(CC1C)c2ccccc2	2836
+c1cc(ccc1)C2CNCCN2CC	2
+c1cc(ccc1-c2nn(C3CNCCC3)c4ncnc(N)c24)Oc5c(ccc(F)c5)F	2
+c1cc(ccc1-c2nn(C3CNCCC3)c4ncnc(N)c24)Oc5cccc(F)c5	2
+CC(C)(C)OC(=O)N1CC2(CC(C2)O)C1	100
+CC(C)(C)OC(=O)N1CC2(CC(C2)Nc3c(-c4ccc(cc4)Oc5ccccc5)c(N)ncn3)C1	4172
+CC(C)(C)OC(N1CC2(C1)CC(C2)Nc3c(cnc(-c4cccc(c4)-c5cn(nc5)C)n3)-c6cnn(C)c6)=O	261
+CC(C)(C)OC(N1CC2(CC(C2)n3cc(Br)cn3)C1)=O	1647
+C1C2(CN1C(OCC)=O)Oc3c(C(=O)C2)cc(cc3)C=CC(=O)OC	7449
+CC(C)(C)OC(=O)N1CC2(C1)OCc3c2cnc(C=O)c3	1406
+CC(C)(C)OC(N1CC2(CC(C2)Nc3c(Br)cnc(Cl)n3)C1)=O	40
+CC(C)(C)OC(N1CC2(C1)CC(C2)Nc3c(Cl)c(ncn3)N)=O	7450
+C1C2(CC1N3CCC(CC3)C(=O)OCC)CCNC2	2
+CC(C)(C)OC(N1CC2(C1)CC(C2)Nc3nc(ncc3-c4cn(C)nc4)Cl)=O	2420
+CC(C)(C)OC(N1CC2(C1)CC(C2)n3ncc(-c4cc(OC(C)c5c(ccc(F)c5Cl)Cl)c(nc4)N)c3)=O	4109
+CC(C)(C)OC(N1CCC(C2(CC2)C1)(O)c3ccc(cc3)Cl)=O	251
+CC(C)(C)OC(N1CC2(CCCC2)C(Nc3nc(ncc3C)Cl)C1)=O	40
+CC(C)(C)OC(=O)N1CC2(CCCC2)C(Nc3nc(Nc4cn(C)nc4)ncc3C)C1	486
+C1CC2CC(CC1N2C(OCC)=O)N3CCC4(CC3)c5c(CNC4)cccc5	2
+CC(C)(C)OC(N1CC2(CN(c3cnc(Oc4ccc(cc4)Oc5cc(ccc5)F)c(C(=O)N)c3)CC2)CC1)=O	2682
+c1cc(ccc1Oc2c(C(=O)N)cc(N3CCC4(C3)CCNC4)cn2)Oc5cc(ccc5)F	2
+CC(C)(C)OC(=O)N1CC2(CN(C2)C(NCc3ccc(cc3Cl)Cl)=O)C1	384
+CC(C)(C)OC(=O)N1CC2(CN(C2)C3CCN(CC3)Cc4ccccc4)C1	85
+c1c(cc2c(c1)N(CC23CNCC3)C(Nc4ncc(Cl)s4)=O)Br	2
+CC(C)(C)OC(N1CC2(c3cc(Br)ccc3N(C(Nc4ncc(Cl)s4)=O)C2)CC1)=O	2143
+CC(C)(C)OC(N1CC2C(C1)c3c(CO2)cc(O)cc3)=O	16
+FC(F)(F)C(=O)NCC1C2CC(C)CC2CN1C(=O)OC(C)(C)C	605
+FC(F)(F)c1ncc(nc1)NCC2CC3C(CN2)C3	2
+CC(C)(C)OC(=O)N1CC2C(CC(C2)N)C1	273
+FC(F)(F)c1ccc(NCC2CC3C(CN2)C3)nn1	2
+CC(C)(C)OC(=O)N1CC2CC(CCC2C1)=O	86
+C1C2CNCC2CN1C(c3c(-c4nnc[nH]4)cccc3)=O	2
+CC(C)(C)OC(=O)N1CC2N(C(Cc3c2cn[nH]3)C1)S(=O)(=O)c4ccc(cc4)Cl	7451
+CC(C)(C)OC(N1C(CNCc2ccccc2)C3C(CC(C3)C)C1)=O	110
+c1cc(ccc1)C2(C3CNCC3CC(C2)CC#N)O	2
+CC(C)(C)OC(N1CC2CC(CC(C1)N2S(=O)(=O)c3ccc(cc3)Cl)=O)=O	92
+CC(C)(C)OC(N1CC2CC(CC(C1)N2)=O)=O	25
+CC(C)(C)OC(N1CC2CC(C(C(C1)N2S(=O)(=O)c3ccc(cc3)Cl)C=O)=O)=O	7452
+CC(C)(C)OC(N1CC2CC(CC2C1)Nc3c(cnc(Nc4ccc5c(C)n(C)nc5c4)n3)Cl)=O	55
+C1C2C(CC1Nc3c(cnc(Nc4ccc5c(C)n(C)nc5c4)n3)Cl)CNC2	2
+CC(C)(C)OC(=O)N1CC2C(C1)CCC(Nc3c(cnc(n3)Cl)Cl)C2	40
+CC(C)NC(=O)CNC(=O)c1cc(N2C3CNC(C3)C2)ccc1[N+](=O)[O-]	2
+FC(F)(F)c1c(ncc(c1)-c2nc(N3CC4CC3C4)nc(N5CC6NCC5C6)c2)N	2
+CC(C)(C)OC(N1C(CN2C(c3ccccc3C2=O)=O)CC4CC4C1)=O	332
+CC(C)(C)OC(=O)N1CC2CN(CC(C1)O2)CCN(CCOc3ccc(cc3)C#N)C(=O)N(C)C	61
+CC(C)(C)OC(=O)N1CC2CN(CC(C1)O2)CCN(S(=O)(=O)C)CCOc3ccc(cc3)C#N	28
+C12CNCCN1C(COC2)=O	2
+c1cc(ccc1)C(=O)NC2=NC3(CNCC3CS2)c4cnccn4	2
+c1cc(ccc1CN2C3CC(C2)NC3)C(OC)=O	2
+CC(C)(C)OC(=O)N1CC2C(CC1)CN2C(c3cccc(F)c3-n4nccn4)=O	30
+CC(C)(C)OC(=O)N1CC2c3c(cc(c(c3)N)N)C(C1)C2	0
+CC(C)(C)OC(N1CCC(CC1)c2ccccc2C#N)=O	191
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C)cccc2F	191
+CN(c1ncc2c(c1)n(cn2)C)c3ccc(C4=CCNCC4)cc3CC	366
+C1=C(CCNC1)c2cc(ncn2)Nc3ccc4c(nccc4)c3	366
+n1cc(cnc1N2CCC(CC2)C3(Cc4cc(ccc4O3)C=5CCNCC=5)C)C6CC6	366
+c1cc(cc(-c2ncnc3c2cc(C4=CCNCC4)[nH]3)c1OC)F	366
+C1CN(CCC1Oc2sc3cc(C=4CCNCC=4)ccc3n2)c5nnc(C)s5	366
+C1CN(CCC1Oc2sc3cc(C=4CCNCC=4)ccc3n2)c5onc(C(C)C)n5	366
+CC(C)(C)OC(N1CC=C(CC1)c2cc(c(N(c3cc4n(C)cnc4cn3)C)cc2)CC)=O	1121
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)C(C)C(OC)=O	191
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc3c(OCC=4N3C(C)C(=O)NN=4)cc2	191
+CC(C)(C)OC(=O)N1CC=C(c2sc(nn2)-c3ccc(-n4cccn4)cc3OC)CC1	4173
+CC(C)n1c2c(c(C(NCc3c(nc(C)cc3C)O)=O)cc(n2)C=4CCNCC=4)cn1	366
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(-c3ccccc3F)cc4OCC5=NNC(=O)C(N5c4c2)C	191
+CC(C)(C)OC(N1CC=C(CC1)c2ccc(c(c2)CC)Nc3cc4c(cn3)ncn4C)=O	1504
+c1cc(ccc1)-c2nc(-c3c(N)ncc(C4=CCNCC4)n3)no2	366
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(-c3ncccn3)c(N)nc2	671
+C=1CNCCC=1c2cnc(cc2)[N+]([O-])=O	366
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc3ccc(c4OCC(c5ncccc5)n2c34)-c6c(noc6C)C	4174
+CC(C)(C)OC(N1CCC(CC1)c2ncc(C(=O)Nc3cn4c(cc3)nc(C)c4)cc2)=O	1676
+CC(C)(C)OC(=O)N1CCC(CC1)c2cnc(C(OC)=O)cn2	7453
+CC(C)(C)OC(N1CCC(c2cccc(N)c2)=CC1)=O	2144
+CC(C)(C)OC(N1CC=C(CC1)c2c(C#N)cccc2)=O	2144
+n1cc(cnc1N2CCOC(Cn3c4nc(-c5cn(C)nc5)cnc4nn3)C2)C=6CCN(CC=6)C	352
+CC(C)(C)OC(N1CCC(c2scc(C(O)=O)c2)=CC1)=O	6
+CC(C)(C)OC(N1CC(F)C(O)CC1)=O	100
+CC(C)(C)OC(N1Cc2nc(COc3ccccc3)oc2CC1)=O	7454
+CC(C)(C)OC(=O)N1CC(C(=O)C1)=CN(C)C	7455
+CC(C)(C)OC(N1CC(c2ccc(cc2)Cl)(CC1)O)=O	251
+CC(C)(C)OC(=O)N1CCC(C(O)C)C1	100
+CC(C)(C)OC(=O)N1CC(CC1)C(=O)C=CN(C)C	7456
+CC(C)(C)OC(N1CCC(C(C1)CO)OCOC)=O	95
+CC(C)(C)OC(N1CC(C(CC1)NC(=O)OCc2ccccc2)C(OCC)=O)=O	101
+c1(C(CCC2C(CNCC2)C(OC)=O)=O)c(cnc3ccc(OC)cc13)F	2
+CC(C)(C)OC(N1CCC(C(F)C1)NC(OCc2ccccc2)=O)=O	101
+CC(C)(C)OC(N1CCC(C(F)C1)NCc2ccccc2)=O	42
+CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])C(F)C1	298
+CC(C)(C)OC(=O)N1CC(C(CC1)NC(OCc2ccccc2)=O)OC	101
+CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccccc2)C(OC)C1	93
+CC(C)(C)OC(N1CCC(C(COc2ccc(cc2C#N)SCc3ccccc3)C1)c4ccc(cc4)Cl)=O	1524
+c1ccccc1COC(=O)NC2CCNCC2F	2
+CC(C)(C)OC(N1CCC(C(C1)F)N)=O	273
+CC(C)(C)OC(N1CC(C(CC1)N)N(C)C)=O	102
+CC(C)(C)OC(N1CCC(O)C(NC(COc2ccccc2)=O)C1)=O	68
+CC(C)(C)OC(N1CC(OCc2ccc3c(cccc3)c2)C(c4ccc(cc4)OCC=C)CC1)=O	149
+CC(C)(C)OC(N1C(c2cc(nc(-n3ccnc3)n2)C)C(C(=O)NC)CC1)=O	271
+CC(C)(C)OC(N1CC(C(CC1)c2cccc(c2)CO)OCc3cc(OCc4ccccc4)c5ccccc5c3)=O	98
+CC(C)(C)OC(=O)N1CC(CC1)CC(OCC)=O	456
+CC(C)(C)OC(N1CCC(Nc2nc(C=3NNC(=O)N=3)cc4ccc(Cl)cc24)C1)=O	4175
+n1c2ccccc2c(cc1-c3ccccc3O)NC4CNCC4	2
+FC(F)(F)c1ccccc1OC2CNCC2	2
+CC(C)(C)OC(N1CCC(c2nc3ccnn3c(c2)N)C1)=O	1994
+c12nnc(n1cc(cc2)F)C3CCNC3	2
+C[Si](C)(C)C#Cc1n(C2CCN(C2)C(=O)OC(C)(C)C)c3c(c(ncn3)N)c1-c4ccc(cc4)Oc5ccccc5	7457
+CC(C)(C)OC(N1CC(CC1)n2c3ncnc(N)c3c(-c4ccc(cc4)Oc5ccccc5)c2C#N)=O	7458
+[N-]=[N+]=NC1CCNC1C(NC(Cc2cc3c(cccc3)cc2)C(=O)OC)=O	255
+CC(C)(C)OC(=O)N1C(C(O)CC1)CO	21
+CC(C)(C)[Si](C)(C)OC1CCN(C(OC(C)(C)C)=O)C1C(O)=O	19
+C1CC12CNCCC2(O)c3ccc(cc3)Cl	2
+CC(C)(C)OC(N1CCC(CC1)(C#N)CCSc2ccc(cc2)SC)=O	7459
+CC(C)(C)OC(=O)N1CCC(CC1)(CC=O)C(OC)=O	1981
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3c(ncn2)cc(cc3)F	7460
+C1CNCCC1(c2ccc(cc2)Cl)C(C)(C)O	2
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)-c3ccccc3)C(O)=O	4
+CC(C)(C)OC(=O)N1CCC(CC1)(C)CO	95
+CC(C)(C)OC(=O)N1CCC(CC1)(C)CCN	51
+CC(C)(C)OC(=O)N1CCC(CC1)(C)C#C	1596
+FC(F)(F)CNCC1(CCN(CC1)C(=O)OC(C)(C)C)COCc2ccccc2	110
+CC(C)(C)OC(=O)N1CCC(CC1)(CO)CCC=C	95
+CC(C)(C)OC(N1CCC(CC1)(C#N)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1CCC(CC1)(F)CNC(=S)NC(=O)OCC2c3ccccc3-c4c2cccc4	7461
+CC(C)(C)OC(N1CCC(CC1)(c2ccc(cc2)I)CN(C(Nc3cc(Cl)cc(Cl)c3)=O)C)=O	326
+CC(C)(C)OC(=O)N1CCC(CC1)(F)CN2C(=O)c3c(C2=O)cccc3	332
+FC(F)(F)c1cc(cc(COCC2(CCN(CC2)C(OC(C)(C)C)=O)c3c(Br)cc(F)cc3)c1)-c4ccc(cc4)C#N	149
+C[Si](C)(C)CCOCn1nc2c(cc(F)cc2c1)C(C)OCC3(CCN(CC3)C(OC(C)(C)C)=O)c4ccc(cc4)F	7462
+C1CC(CCN1)(CO)c2ccc(cc2)SC	2
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(cc(c3)Br)F)=O	149
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(cc(Br)c3)-c4ccc(cc4)F)=O	149
+CC(C)(C)OC(=O)N1CCC(CC1)(C)CCC=C	2836
+C1CC(CCN1)(Cc2ccc(cc2)F)C#N	2
+CC(C)(C)OC(N1CCC(CC1)(O)Cc2nc(Nc3nccs3)ccc2)=O	4176
+CC(C)(C)OC(=O)N1CCC(CC1)(CO)NC(OCc2ccccc2)=O	101
+C1CNCCC1(CF)NC(OCc2ccccc2)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)(C#C)O[Si](C)(C)C	4177
+CC(C)(C)OC(N1CCC(CC1)(O)C#C)=O	1407
+CC(C)(C)OC(=O)N1CCC(CC1)(OC)C	76
+CC(C)(C)OC(=O)N1CCC(CC1)(Cn2c3c(nc2COCC)cnc4ccccc34)O	546
+CC(C)(C)OC(N1CCC(CC1)(O)CNc2c(N)cnc3c2cccc3)=O	13
+C1CC(CCN1)(O)Cc2nc(Nc3nccs3)ccc2	2
+CC(C)(C)[Si](C)(C)OC1(CCN(CC1)C(=O)OC(C)(C)C)c2[nH]c(-c3ccc(c(C)c3)F)cn2	19
+CC(C)(C)n1nc(cc1NC(C(C)NC(OCc2ccccc2)=O)=O)C3(CCNCC3)c4ccccc4	2
+CC(C)(C)OC(N1CCC(CC1)(C(C)(C)O)c2ccc(cc2)Cl)=O	736
+c1cc(ccc1I)C2(CCNCC2)CN(C(Nc3cc(Cl)cc(Cl)c3)=O)C	2
+CC(C)(C)OC(N1CCC(CC1)(CO)c2ccc(cc2)SC)=O	237
+C1CNCCC1(C#N)c2ncccc2	2
+CC(C)(C)OC(N1CCC(CC1)(c2cc3c(cnc(c3)-c4ccc(cc4)S(=O)(=O)C)o2)C)=O	140
+C1CC(CCN1)(O)c2scc(-c3c(c4c(N(C(C)CC4)C(OC)=O)cc3)OC5CCC5)n2	2
+CC(C)(C)OC(=O)N1CCC(CC1)=CC#Cc2cc(F)cc(F)c2	7463
+CC(C)(C)OC(N1CCC(CC1)CC#N)=O	3674
+CC(C)(C)OC(=O)N1CCC(CC1)(CC#N)n2nc(N)c(C(=O)N)c2	2525
+CC(C)(C)OC(N1CCC(CC1)Cc2nc3c(nc(Cl)nc3N4CCOCC4)cc2)=O	7464
+CC(C)(C)OC(=O)N1CCC(CC1)NCC(C)C	87
+CC(C)(C)OC(=O)N1CCC(=O)C(C(C(=O)OCC)=O)C1	3834
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(Oc3ccc(Br)cn3)ccc2	846
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(ccc2)Oc3ncc(C)cc3	846
+CC(C)(C)OC(=O)N1CCC2(CC1)OC2	2113
+CC(C)(C)OC(N1CC2(CC2)C(CC1)=O)=O	7465
+CC(C)(C)OC(N1CCC(CC1)(O)C#C[Si](C)(C)C)=O	7466
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cc(Cl)cc2)C=CC(=O)OCC)=O	231
+FC(F)(F)c1c(C2(CCN(CC2)C(=O)OC(C)(C)C)O)cccc1	251
+FC(F)(F)c1cc(c(cc1)Sc2ccc(cc2)Cl)C3(CCN(CC3)C(=O)OC(C)(C)C)O	251
+FC(F)(F)c1ccc2CCC(N3CCN(CC3C)C4(CCN(CC4)C(OC(C)(C)C)=O)C#N)c2c1	735
+FC(F)(F)c1nc(C2(CCN(CC2)C(=O)OC(C)(C)C)O)ccc1	938
+CC(C)(C)OC(=O)N1CCC(CC1)NC	87
+CC(C)(C)OC(N1CCC(CC1)N(C)C(c2ccc3c(non3)c2)=O)=O	7467
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(ccc2Cl)[N+]([O-])=O)=O	231
+CC(C)(C)OC(N1CCC(CC1)=CC#N)=O	1573
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(c([N+]([O-])=O)cc2F)F	846
+CC(C)(C)OC(=O)N1CCC(CC1)(O)c2c(F)cccc2C	251
+CC(C)(C)OC(=O)N1Cc2c3c([nH]c2CC1)cc(Br)cc3	518
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3cc(C#N)ccc3[nH]c2	888
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3c(ccc(c3)[N+](=O)[O-])[nH]c2	888
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3ccccc3[nH]c2	888
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(cc(C#N)cc2)Oc3c(Br)cccc3	231
+CC(C)(C)OC(N1CCC(CC1)(Cc2nc(Cl)ccc2)O)=O	7468
+CC(C)(C)OC(=O)N1CCC(CC1)NCCc2ccccc2[N+](=O)[O-]	87
+CC(C)(C)OC(N1CCC2(CC1)CC(=O)c3c(ccc(c3)Br)O2)=O	2003
+c1cc(ccc1)CN(Cc2ccccc2)C(COC(N3CCC(CC3)=O)=O)C	7469
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccc(cc2)F	231
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccc(cc2)SC	231
+CC(C)(C)OC(N1CCC2(CC1)Nc3c(C(=O)N2)sc(-c4ccncc4)c3)=O	3347
+CC(C)(C)OC(=O)N1CCC(CC1)N2CCN(C(OCc3ccccc3)=O)C(C2)C(=O)N4CCOCC4	85
+CC(C)(C)OC(=O)N1CCC(CC1)(O)c2ccc(cc2)Oc3ccccc3	1035
+CC(C)(C)OC(=O)N1CCC(CC1)=C	7470
+CC(C)(C)OC(=O)N1CCC(CC1)(O)c2nccn2C	7471
+CC(C)(C)OC(=O)N1CCC(CC1)C(=NO)N	609
+CC(C)(C)OC(N1CCC(CC1)(c2ncccc2)C#N)=O	4178
+CC(C)(C)OC(N1CCC(CC1)(Cc2ccc(cc2)F)C#N)=O	7472
+CC(C)(C)OC(N1CCC(CC1)C(=O)CC(=O)Cc2ccccc2)=O	3739
+CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(Nc3n2nc4cc(C)cc(c34)Br)=O	4179
+CC(C)(C)OC(=O)N1CCC(CC1)C=2n3c(c4c(cccc4n3)Br)NC(C=2)=O	4179
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(Cc3ccccc3)n(n2)CC	7473
+CC(C)(C)OC(=O)N1CCC(CC1)C=2n3nc4nccnc4c3NC(C=2)=O	7474
+C1CNCCC1C(N2CC(C(c3cc(c(Cl)cc3)Cl)C2)C(Oc4ccc(C#N)cn4)C)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNCc2ccc(cc2)Cl	15
+CC(C)(C)OC(=O)N1CCC(CC1)c2nnc(CCl)o2	1037
+C1CC(CCN1)C(Nc2cc(ncn2)-c3ccccc3OCC)=O	2
+CC(C)(C)OC(N1CCC(CC1)(C)C(OC)=O)=O	1389
+CC(C)(C)OC(=O)N1CCC(CC1)(C(OC)=O)Cc2ccc(cc2)F	1161
+CC(C)(C)OC(N1CCC(CC1)(C(OC)=O)Cc2ccc(cc2)-c3ccccc3)=O	1161
+CC(C)(C)OC(=O)N1CCC(CC1)(CCOc2ccccc2)C(OCC)=O	1232
+CC(C)(C)OC(=O)N1CCC(CC1)(C(OCC2CCCCC2)=O)Cc3ccc(cc3)C#N	1161
+C1CC(CCN1)C(C(=O)OCC)CC	2
+CC(C)(C)OC(N1CCC(CC1)C(O)CN2CCN(CC2)c3ccc(cc3)S(=O)(=O)C)=O	100
+C1CC(CCN1)C(=O)N2Cc3ccc(C(OC)=O)cc3OCC2C	2
+C1CNCCC1C(=O)N2CCC2	2
+c1cc(ccc1)CN2CCN(CC2)C(=O)C3CCNCC3	2
+CC(C)(C)OC(N1CCC(CC1)C(NNC(c2c(N)ncc(Br)c2)=O)=O)=O	2716
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc(C)nn2	1037
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc(-c3c(N)ncc(Br)c3)nn2	2145
+C1CC(CCN1C(=O)c2cc(c(C)cc2)NC(=O)C3CCNCC3)c4ccc(cc4)-c5cnn(c5)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)C(NCc2c(cccc2)C(F)(F)F)=O	9
+CC(C)(C)OC(=O)N1CCC(CC1)c2onc(n2)Cc3cccnc3	2584
+CC(C)(C)OC(N1CCC(CC1)C(NNC(C)=O)=O)=O	1038
+CC(C)(C)OC(N1CCC(CC1)C(=O)Nc2cc(ncn2)-c3ccccc3OCC)=O	142
+CC(C)(C)OC(N1CCC(CC1)C(=O)C2C(OC(OC2=O)(C)C)=O)=O	3363
+CC(C)(C)OC(=O)N1CCC(CC1)C(Nc2c(N)ccc(-c3c4ccc(F)cc4n(S(=O)(=O)c5ccccc5)c3)c2)=O	33
+CC(C)(C)OC(=O)N1CCC(CC1)C(Nc2ccc(c(Cl)c2)Cl)=O	33
+CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2Cc3cc(c(cc3CC2)OC)OC	10
+CC(C)(C)OC(N1CCC(CC1)C(N2C(C)COc3cc(C(OC)=O)ccc3C2)=O)=O	10
+CC(C)(C)OC(N1CCC(CC1)C(=O)N2CC(C(Oc3ccc(C#N)cn3)C)C(c4cc(c(Cl)cc4)Cl)C2)=O	10
+CC(C)(C)OC(=O)N1CCC(CC1)C(Nc2ccc(cc2)C(C)C)=O	33
+CC(C)(C)OC(N1CCC(CC1)C(Nc2c(ccc(C(=O)N3CCC(CC3)c4ccc(cc4)-c5cnn(C)c5)c2)C)=O)=O	33
+CC(C)(C)OC(N1CCC(CC1)C(=O)NCc2ccc(cc2)Cl)=O	9
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)COc3ccc(cc3)S(=O)(=O)C	1166
+CC(C)(C)OC(=O)N1CCC(CC1)C(Nc2c(C(N)=O)c(-c3ccccc3)ccc2)=O	33
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCN(CC3)C(OC(C)(C)C)=O)=O	9
+CC(C)(C)OC(N1CCC(CC1)C(F)CN2CCN(CC2)c3ccc(cc3)S(=O)(=O)C)=O	2124
+C1CC(CCN1)C(c2ccccc2)OC	2
+CC(C)(C)OC(=O)N1CCC(CC1)C(c2ccc(cc2)Br)O	74
+CC(C)(C)OC(=O)N1CCC(CC1)C(O)c2ccccc2	74
+CC(C)(C)OC(=O)N1CCC(CC1)C2C(C2)COCc3ncc(cc3)Br	1896
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CC(C(NCCC(OCC)=O)=O)CCC2)=O)=O	9
+CC(C)(C)OC(N1CCC(CC1)C=CC(=O)N2CC(C(O)=O)CCC2)=O	3
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CC(CCC2)C(=O)NCCC(O)=O)=O)=O	3
+C1CC(CCN1)C=CC(N2CC(CCC2)C(=O)NCCC(O)=O)=O	2
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CCCC(C2)C(NC(C#C)CC(=O)OCCCCC)=O)=O)=O	27
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CCCC(C2)C(NC(C#C)CC(=O)O)=O)=O)=O	3
+CC(C)(C)OC(N1CCC(CC1)CCc2cc3c(o2)ccc(S(=O)C)c3)=O	7475
+CC(C)(C)OC(N1CCC(CC1)C=Cc2oc3c(cc(cc3)S(=O)C)c2)=O	357
+CC(C)(C)OC(=O)N1CCC(CC1)CC#Cc2c3c(c(nc(CCCC)n3)N)n(COCc4ccccc4)c2	3885
+CC(C)(C)OC(N1CCC(CC1)CC(=NO)N)=O	609
+CC(C)(C)OC(N1CCC(CC1)CC(Nc2nccc(Oc3cc(Cl)c(cc3)N)c2)=O)=O	142
+CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)Nc2ccc(cc2)S(=O)(=O)C	33
+C1CC(CCN1)CC(C#N)NC(=O)C2CCCCC2NC(c3n(C)c4ccccc4c3)=O	2
+CC(C)(C)OC(N1CCC(CC1)CC(Nc2cc(Oc3ccc(NC(Oc4ccccc4)=O)c(Cl)c3)ccn2)=O)=O	90
+C1CNCCC1CC2CCN(CC2)C(C)C	2
+C1CNCCC1CC2CCN(CC2)C3CCC3	2
+C1CNCCC1CC2CCN(CC2)CC	2
+CC(C)(C)OC(N1CCC(CC1)CC2CCN(CC2)C(C)C)=O	2689
+CC(C)(C)OC(N1CCC(CC1)CC2CCN(CC2)CC)=O	183
+FC(F)(F)c1ccc(cc1)C=CCC2CCN(CC2)C(=O)OC(C)(C)C	3386
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCN	51
+CC(C)(C)OC(=O)N1CCC(CC1)CCCN2C(=O)c3c(N=C2C)c(OC)ccc3	7476
+CC(C)(C)OC(N1CCC(CC1)CCCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1CCC(CC1)CCCOc2cc(ccc2)CC(=O)OC	20
+CC(C)(C)OC(N1CCC(CC1)CCCC#N)=O	300
+CC(C)(C)OC(N1CCC(CC1)CCI)=O	343
+CC(C)(C)OC(=O)N1CCC(CC1)CCOc2cc(F)cc(Nc3ccc(I)cc3F)c2[N+](=O)[O-]	57
+CC(C)(C)OC(N1CCC(CC1)CCc2oc3ccc(cc3c2)S(=O)(=O)C)=O	2146
+C1CNCCC1CCc2noc3c(CO)c(ccc23)OCC4CC4	2
+CC(C)(C)OC(N1CCC(CC1)CN2CCC(CC2)CNC(C3=Cc4c(C)cccc4N(C3=O)C(C)C)=O)=O	183
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(ncc2[N+]([O-])=O)Nc3ncc(C#N)nc3	2785
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(ncc2Cl)Nc3ncc(C#N)nc3	7477
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ncc(cn2)-c3ccc(cc3)S(=O)(=O)C	537
+CC(C)(C)OC(=O)N1CCC(CC1)COc2c([N+]([O-])=O)cnc(Br)c2	260
+CC(C)(C)OC(=O)N1CCC(CC1)COS(=O)(=O)c2ccc(cc2)C	1293
+CC(C)(C)OC(=O)N1CCC(CC1)COc2ccc3c(ncnc3Nc4[nH]nc(c4)CC(Nc5c(c(F)ccc5)F)=O)c2	126
+CC(C)(C)OC(N1CCC(CC1)COc2c3c(cccc3)c(Cl)cc2C(NC(C)(C(=O)OCC)CC)=O)=O	20
+CC(C)(C)OC(=O)N1CCC(CC1)COc2ccc(nc2)Cl	981
+CC(C)(C)OC(=O)N1CCC(CC1)COS(=O)(=O)c2ccc(cc2)C	36
+C1CNCCC1COC2CC2	2
+C1CC(CCN1)COCCN2CCCC2	2
+CC(C)(C)OC(N1CCC(CC1)COc2cc(Nc3cnc(C#N)cn3)ncc2N)=O	13
+C1CNCCC1COc2c(C(NC(C)(C(=O)OCC)CC)=O)cc(Cl)c3ccccc23	2
+C1CC(CCN1)COc2c3ccccc3nc(c2)C	2
+CC(C)(C)OC(N1CCC(CC1)COc2cc(ncc2NC(=O)CN(C)C)Nc3cnc(C#N)cn3)=O	469
+CN(C)CC(=O)Nc1c(cc(nc1)Nc2cnc(C#N)cn2)OCC3CCNCC3	2
+C1CN(CCO1)c2nc(Cl)nc3ccc(CC4CCNCC4)nc23	2
+FC(F)(F)C(N(C1CCNCC1)C2CC2)=O	2
+C1CNCCC1N(C)CCc2ccc(cc2)Oc3ccccc3	2
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CCCCC2)CC=O	378
+CC(C)(C)OC(N1CCC(CC1)N(C2CCCCC2)CC(N(OC)C)=O)=O	978
+CC(C)(C)OC(N1CCC(CC1)N2C(COC3CCCCC23)=O)=O	467
+c1cc(ccc1[N+]([O-])=O)CN(C2CCNCC2)C(c3ccc(cc3)CCCCC)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c2cc(ccc2)OC(C)(C)C(OCC)=O	14
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(c(cn2)Cl)-c3cnc(n3C(C)C)C)=O	96
+CC(C)(C)OC(N1CCC(CC1)NC(=O)N2Cc3c(C(=O)N)c(nn3CC2)-c4cccc(F)c4)=O	1893
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccncc2[N+](=O)[O-]	105
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(nc(n2)OC)Cl)=O	387
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)C(OC(C)(C)C)=O)=O	282
+FC(F)(F)c1nnc(cc1)NC2CCN(CC2)C(OC(C)(C)C)=O	232
+CC(C)(C)OC(=O)N1CCC(CC1)NC(c2ccc(cc2)Nc3ncc4c(n3)N(CC(F)(F)C(N4C)=O)C5CCC5)=O	14
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(c(F)cc2[N+](=O)[O-])C)=O	60
+CC(C)(C)OC(N1CCC(CC1)Nc2c(c(F)cc(c2)OC)[N+](=O)[O-])=O	60
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ncc(c(c2)I)Cl	182
+CC(C)(C)OC(=O)N1CCC(CC1)NCc2cc(ccc2F)-c3ccnc(Cl)n3	42
+CC(C)(C)OC(N1CCC(CC1)NS(=O)(=O)c2ccc(cc2CBr)Br)=O	71
+CC(C)(C)OC(N1CCC(CC1)Nc2ncc(C(c3ccccc3OC)=O)c(n2)N)=O	7478
+CC(C)(C)OC(N1CCC(CC1)Nc2ncnc3n(S(=O)(=O)c4ccc(cc4)C)ccc23)=O	974
+CC(C)(C)OC(N1CCC(CC1)Nc2ccc(C)cc2[N+](=O)[O-])=O	60
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(c(Cl)cc2[N+]([O-])=O)OC)=O	60
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c([N+](=O)[O-])cc(Br)cn2	340
+CC(C)(C)OC(N1CCC(CC1)Nc2c([N+](=O)[O-])c(F)cc(c2)C3CC3)=O	60
+CC(C)(C)OC(N1CCC(CC1)NC(=O)Nc2c(c(c(cc2I)C)F)F)=O	282
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccc(C(=O)c3c(F)cccc3)c(N)n2	70
+CC(C)(C)OC(=O)N1CCC(CC1)NCC(COc2ccccc2)O	122
+CC(C)(C)OC(N1CCC(CC1)Nc2c([N+]([O-])=O)cnc3c2ccn3S(=O)(=O)c4ccccc4)=O	2048
+CC(C)(C)OC(N1CCC(CC1)NC(=O)Cc2ccc(cc2)C#N)=O	9
+CC(C)(C)OC(N1CCC(CC1)NC(Cc2ccc(cc2)Cl)=O)=O	9
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4c(c(ncn4)NC5CCN(CC5)C(=O)OC(C)(C)C)c3	40
+CC(C)(C)OC(N1CCC(CC1)Nc2oc(-c3ccc(cc3)F)cn2)=O	7479
+CC(C)(C)OC(=O)N1CCC(CC1)NCc2ccc(cc2)[N+]([O-])=O	42
+CC(C)(C)OC(N1CCC(CC1)NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)=O	71
+CC(C)(C)OC(=O)N1CCC(CC1)NCC(COc2ccncc2)O	122
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(ccn2)N(C)c3cc4n(C)cnc4c(c3)-c5ccccc5)=O	306
+CC(C)(C)OC(=O)N1CCC(CC1)NCc2ccccc2	42
+CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c2n(Cc3cc(on3)-c4ccc(Cl)s4)c5c(cccc5)c2	81
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2nc(nc3ccccc23)Cl	40
+CC(C)(C)OC(=O)N1CCC(CC1)NCc2c3c(nc(n3CC)-c4c(N)non4)cnc2	2590
+CC(C)(C)OC(N1CCC(CC1)N2C(c3c(cc(n3C(C)C)-c4c(OC)nc(nc4)OC)C2=O)c5ccc(cc5)Cl)=O	7480
+C1CC(CCN1)N2C(=O)COC3C2CCCC3	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(c3c(N(Cc4onc(CC)n4)C2=O)cc(-c5ccc(F)c(F)c5)s3)=O	268
+CC(C)n1c(cc2C(N(C3CCNCC3)C(c4ccc(cc4)Cl)c12)=O)-c5c(OC)nc(nc5)OC	2
+C1CC(CCN1)N2C(C(Oc3cc(F)c(S(=O)(=O)C)cc3F)CC2)=O	2
+C1CNCCC1N2CCC3(CC2)OC(Nc4ccccc34)=O	2
+C1CC1CN2CCN(CC2)C3CCNCC3	2
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2)=O	7481
+c1cc(ccc1C#N)CC(NC2CCNCC2)=O	2
+C1CC(CCN1)NC(N2Cc3c(C(=O)N)c(nn3CC2)-c4cccc(F)c4)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(Nc3c(c(F)c(cc23)C)F)=O	7482
+C1CC(CCN1)NC(Cc2ccc(cc2)Cl)=O	2
+CC(C)(C)OC(N1CCC(CC1)NC2CCCCC2O)=O	118
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CC2)C(=O)c3ncn(-c4ccc(cc4)S(=O)(=O)C)c3	777
+CC(C)(C)OC(=O)N1CCC(CC1)N(C(=O)c2ncn(-c3c(cc(cc3)C#N)F)n2)C4CC4	2090
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CCC(CC2)C)C(Nc3sc(cn3)C=O)=O	7483
+CC(C)(C)OC(N1CCC(CC1)N(C2CCCCC2)CC(OCC)=O)=O	7484
+C1CNCCC1NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(c(N4CCOCC4)nc(-n5c6cccc(c6nc5C(F)F)OC)n3)nn2	4180
+CC(C)(C)OC(=O)N1CCC(CC1)n2c(nc3c2ccc(C)c3)-c4ccccc4	1301
+CC(C)(C)OC(=O)N1CCC(CC1)N2c3c(NC2=O)cc(c(OC)c3)Cl	7485
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(C3CC3)cc(F)c2N)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cnc3n(ccc23)S(=O)(=O)c4ccccc4)N)=O	13
+CC(C)(C)OC(N1CCC(CC1)Nc2c(c(cc(OC)c2)F)N)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2ccc(cc2CCC(OCC)=O)Cl)=O	159
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(ccc2SCCI)[N+]([O-])=O)=O	343
+C1CCCC1CC(=O)Nc2cnc3n(ccc3c2NC4CCNCC4)S(=O)(=O)c5ccccc5	2
+CC(C)(C)OC(N1CCC(CC1)Nc2cccc3c2ccnc3NCc4ccc(cc4)OC)=O	70
+C1CC(CCN1)Nc2cccc3c2ccnc3N	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(Nc3c2cc(C4CC4)cc3F)=O	1019
+CC(C)(C)OC(N1CCC(CC1)Nc2c(N)cc(Cl)c(OC)c2)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cc(c(c2)C)F)N)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2c(N)cc(C)cc2)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cc(cc2)Cl)CCC(=O)O)=O	3
+CC(C)(C)OC(N1CCC(CC1)Nc2c3ccnc(c3ccc2)N)=O	755
+CC(C)(C)OC(N1CCC(CC1)Nc2ccccc2CN)=O	45
+CC(C)(C)OC(N1CCC(CC1)Nc2ccccc2CN3C(c4c(cccc4)C3=O)=O)=O	2397
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3nc(Cl)nc(N4CCOCC4)c3nn2	4180
+C1CNCCC1Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2	2
+C1CC(CCN1)Nc2ncc(Cl)c(-c3cnc(n3C(C)C)C)n2	2
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(Cl)nc(N3CCOCC3)c2N)=O	193
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(nc(c2[N+]([O-])=O)N3CCOCC3)-n4c5c(c(ccc5)OC)nc4C(F)F)=O	1098
+CC(C)(C)OC(N1CCC(CC1)Nc2c(N)c(N3CCOCC3)nc(n2)-n4c(C(F)F)nc5c4cccc5OC)=O	193
+C1CC(CCN1)Nc2nc3c(ccc(OCC#N)c3)o2	2
+C1CC(CCN1)Nc2ncc(C(c3ccccc3OC)=O)c(n2)N	2
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(ccn2)C(=O)O)=O	1
+C1CNCCC1Nc2ncnc3n(S(=O)(=O)c4ccc(cc4)C)ccc23	2
+CC(C)(C)OC(N1CCC(CC1)Nc2nnc(o2)-c3c(cc(Nc4cc5c(ncs5)cc4)nc3)NC(C)C)=O	201
+C1CNCCC1Nc2nnc(o2)-c3c(cc(Nc4cc5c(ncs5)cc4)nc3)NC(C)C	2
+CC(C)(C)OC(N1CCC(CC1)Nc2nc3c(ccc(OCC#N)c3)o2)=O	489
+C1CC(CCN1)Nc2nc3c(cccc3[N+](=O)[O-])o2	2
+C1CNCCC1OC(Nc2ccccc2C3CCCCC3)=O	2
+C1CNCCC1OCCCCCOC	2
+C1CNCCC1Oc2c(F)c(C(Nc3ccc(cc3)C#N)C(=O)OCC)cc(OCC)c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(N(c3c(cc(C#N)cc3)F)C=C2)=O	4181
+C1CNCCC1Oc2cc3n(-c4cc(OC(C)c5ccccc5Cl)c(C(OC)=O)s4)cnc3cc2	2
+C1CNCCC1Oc2ccc(cc2)N3C(C)=Nc4ccccc4C3=O	2
+c1cc(ccc1N2CCN(C(OCc3ccccc3)=O)CC2=O)OC4CCNCC4	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)NC(=O)C3CNC3	62
+FC(F)(F)Oc1ccc(cc1)OC2CCNCC2	2
+CC(C)(C)OC(N1CCC(CC1)Oc2ncc(N)c3ccccc23)=O	13
+C1CC(CCN1)Oc2ncc(-c3ccc(cc3)F)cc2	2
+CC(C)(C)OC(N1CCC(CC1)Oc2nnc(c(-c3cc(-c4occn4)c(cc3)OC5CCCCC5)c2)CCCC)=O	7486
+CC(C)(C)OC(=O)N1CCC(CC1)Sc2ncnc(Cl)c2C	2147
+c1cc(ccc1F)Nc2nc(cs2)CSc3c(c(C4CCNCC4)c(c(N)n3)C#N)C#N	2
+CC(C)(C)OC(N1CCC(CC1)c2c(C#N)c(nc(N)c2C#N)SCc3nc(sc3)Nc4ccc(cc4)F)=O	2837
+CC(C)(C)OC(=O)N1CCC(CC1)c2ncc(cc2)Nc3nc(c(C)cn3)C#Cc4ccccc4CC(OC)=O	949
+C1CC(CCN1)c2ccccc2C#N	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(COS(=O)(=O)C)cccc2	710
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(COc3ccc(cc3)S(=O)(=O)C)cs2	2088
+C1CNCCC1c2nc(cs2)C#Cc3c4c(ccc3)cccc4	2
+C1C(CC1)N2CCc3c(CC2)sc(n3)C4CCNCC4	2
+C1CC(CCN1)c2ccc(cn2)C(=O)Nc3cn4c(cc3)nc(C)c4	2
+CC(C)(C)OC(N1CCC(CC1)c2scc(n2)C#C[Si](C)(C)C)=O	4182
+C1CNCCC1n2c(Sc3c(cc4OCOc4c3)Br)nc5c(ncnc25)N	2
+CC(C)(C)OC(N1CCC(CC1)n2ncc(Nc3ncc(C(F)(F)F)c(n3)CCc4c(C(C(=O)N)C)cccc4)c2)=O	801
+C1CNCCC1n2ncc(c2)-c3c(c4c(cc3)N(C(C)CC4)C(OC)=O)OCCC	2
+C1CC(CCN1)n2cc(cn2)Nc3nc(CCc4ccccc4C(C(=O)N)C)c(Cl)cn3	2
+C1CC(CCN1)n2ncc(Nc3nc(CCc4ccccc4C5(CC5)C(N)=O)c(cn3)C)c2	2
+FC(F)(F)c1cnc(nc1CCc2c(C(C(=O)N)C)cccc2)Nc3cnn(c3)C4CCNCC4	2
+C1CC(CCN1)n2ncc3cc(OCC(NCC(O)CN4Cc5c(cccc5)CC4)=O)ccc23	2
+CC(C)(C)OC(=O)N1CCC(CC1C(=O)OC2CCCC2)NCc3ccccc3	87
+FC(F)(F)C(=O)N(C1CC(NCC1)Cc2ccccc2)Cc3c4c(cccc4)ncc3	2
+c1cc(ccc1Br)C(=O)N(C2C(CNCC2)c3ccc(c(c3)Cl)Cl)C	2
+CC(C)(C)OC(N1CC(N(C)c2c3ccccc3cc(C=4NC(=O)NN=4)n2)CC1)=O	7487
+CC(C)(C)OC(=O)N1CCC(CC1C(=O)OC)N	18
+c1ccccc1COC(NC2C(NC(c3ccc(cc3)N4C=CC=CC4=O)=O)CN(C)CC2)=O	352
+CC(C)(C)OC(N1CC(NC(=O)COCCO)CC1)=O	118
+CC(C)(C)OC(N1CCC(NC(=O)OCc2ccccc2)C(C1)NC(c3ccc(cc3)N4C=CC=CC4=O)=O)=O	93
+c1ccccc1COC(NC2CCNC2)=O	2
+CC(C)(C)OC(N1CCC(Nc2c3c(ccc(F)c3)cc(C(N)=NN)n2)C1)=O	2838
+CC(C)(C)OC(N1CCC(Nc2nc(cc3cccc(c23)Cl)C(=NN)N)C1)=O	2838
+CC(C)(C)OC(N1CCC(C1)Nc2c3cc(Cl)ccc3cc(C(N)=NN)n2)=O	2838
+c1cncc2cccc(NC3CNCC3)c12	2
+CC(C)(C)OC(N1CC(Nc2c3c(Cl)cccc3cc(n2)C=4NNC(=O)N=4)CC1)=O	4175
+CN(C)c1nc(nc2c3c(cccc3)sc12)NC4CCNC4	2
+C1CCCCC1Oc2ccc(cc2)-c3cc(OCC4CNCCC4O)nnc3CCCC	2
+CC(C)(C)OC(=O)N1CC(C(OC)CC1)COc2nnc(CCCC)c(-c3ccc(cc3)OC4CCCCC4)c2	76
+CC(C)(C)OC(N1CCC(=O)C(C1)NC(=O)COc2ccccc2)=O	86
+c1ccccc1C(=O)OC2C(F)CNCC2	2
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OC3CCN(C(OC(C)(C)C)=O)C3	624
+CC(C)(C)OC(=O)N1CCC(Oc2ccc(cc2)F)C1	624
+C1CCCN(CC1)C(=O)c2csc(c2)C3=CCNCC3	366
+CC(C)(C)OC(N1CCC(c2ccc(cc2)-c3c(cc4c(c(C=O)c[nH]4)c3)Cl)C1)=O	749
+CC(C)(C)OC(N1CC(CC1)c2ccc(cc2)N=C=O)=O	861
+c1cc(ccc1C2CCNCC2(F)F)OCc3ccccc3	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(N)ccc2	191
+CC(C)(C)OC(N1CCC1COc2cnc(Cl)c(c2)CC)=O	1661
+CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(C)CC2	782
+C1CNCCC12CC(c3cccc(c23)Br)C(C(OCC)=O)C	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CC=C(c3ccccc23)C(=O)O	127
+CC(C)(C)OC(N1CCC2(CCC(CC2)N(C)c3nc(Cl)ncc3C)CC1)=O	54
+CC(C)(C)OC(N1CCC2(CC1)CCC(CC2)Nc3nc(ncc3Cl)Nc4ncn(c4)C)=O	7488
+CC(C)(C)OC(=O)N1CCC2(CC1)C(N(CCC2)Cc3cn(c4ccccc34)S(=O)(=O)c5ccc(cc5)C)=O	7489
+CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(Cc3c(cccc3)-n4nccn4)CCC2	806
+CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c3ccc(c(C)n3)S(=O)(=O)C)C2	361
+CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(c3ccc(cc3)-c4oc5c(C(C)C)cc(C#N)cc5n4)=O)C2	30
+CC(C)(C)OC(N1CCC2(CC1)COc3cc(ccc23)OCc4c(Cl)cccc4Cl)=O	657
+CC(C)(C)OC(=O)N1CCC2(CC1)CCCC(=O)N2Cc3cccc4n(S(=O)(=O)c5ccc(cc5)C)ccc34	7490
+CC(C)(C)OC(=O)N1CCC2(CC1)NC(C(N2Cc3ccccc3)=O)Cc4ccccc4	4183
+c1cc(ccn1)-c2sc3C(=O)NC4(CCNCC4)Nc3c2	2
+C1CC2(CCN1)OCC(F)(F)c3c2sc(Cl)c3	2
+CC(C)(C)OC(N1CCC2(CC1)CC(C(O)=O)=NO2)=O	3
+C1CNCCC12CC(=O)c3c(O2)ccc(C=CC(=O)OC)c3	2
+CC(C)(C)OC(N1CCC2(CC1)Oc3c(C(C2)=O)cc(C=CC(O)=O)cc3)=O	127
+C1CC2(CCN1CCc3cc(ccc3)OC)CC(c4cc(ccc4O2)C=CC(=O)OC)=O	2587
+C1CC2(CCN1CCCc3ccccc3)CC(c4cc(ccc4O2)C=CC(=O)OC)=O	2587
+C1CNCCC12c3c(cccc3)C(C(N(C)C)=O)=CC2	2
+CC(C)(C)OC(N1CCC2(CC1)c3n(c(cc3)C#N)-c4c(cc(COC(C)=O)cc4)O2)=O	283
+C1CNCCC12c3ccc(n3-c4c(O2)cc(COC(C)=O)cc4)C#N	2
+CC(C)(C)OC(N1CCC2(CCC(CC2)N)CC1)=O	316
+CC(C)(C)OC(N1CCC2(CC1)CCC(CC2)NC)=O	87
+C1CC2(CCN1)CCC(CC2)C(OC)=O	2
+CC(C)(C)OC(N1CCC2(CCC(CC2)N(C)c3nc(ncc3C)Nc4cn(C)nc4)CC1)=O	486
+C1CC2(CCC1N(C)c3nc(ncc3C)Nc4cn(C)nc4)CCNCC2	2
+CC(C)(C)OC(N1CCC2(CC1)CCC(CC2)Nc3nc(ncc3Cl)Cl)=O	40
+CC(C)(C)OC(N1CCC2(CCC(CC2)OCCO)CC1)=O	237
+CC(C)(C)OC(N1CCC2(CCC(CC2)OCCOS(=O)(=O)C)CC1)=O	7
+CC(C)(C)OC(N1CCC2(CCC(CC2)OCCn3cncc3)CC1)=O	1193
+C1CNCCC12CCC(CC2)OCCn3cncc3	2
+c1cc(ccc1)CN2CCC3(CCC2)Oc4c(cc(cc4)C=CC(=O)OC)C(C3)=O	7491
+C1C2c3c4N(C2CCN1)CCCc4cc(c3)-c5c(c(Cl)ccc5)Cl	2
+C1CCC(C1)N2C3C(C(c4c5c([nH]c4)cc(cc5)F)C2)NCC3	2
+CC(C)(C)OC(N1C2C(CC1)CN(C(=O)OCc3ccccc3)C2)=O	613
+CC(C)(C)OC(N1CCC2C(c3c4N2CCCc4cc(-c5cccc(Cl)c5Cl)c3)C1)=O	11
+CC(C)(C)OC(=O)N1C2CN(C2CC1)c3nc(c(C(=O)OCC)s3)C	641
+c1cc(ccc1F)-n2ncc3c2C=C4C(C(c5ccccn5)=O)(CNCC4)C3	2
+c1cc(ccc1F)-n2c3C=C4CCNCC4(COCC)Cc3cn2	2
+C1CC1COCC23CN(S(=O)(=O)c4ccc(cc4)Br)CCC2=Cc5n(ncc5C3)-c6ccc(cc6)F	7492
+C1CCCN1C(C2CCCNC2)=O	2
+CC(C)(C)OC(=O)N1CC(CCC1)C(=O)c2cc(cc(Cl)c2)F	586
+CC(C)(C)OC(=O)N1CC(CCC1)C(=O)c2cc(Cl)ccc2	586
+CC(C)(C)OC(=O)N1CC(CCC1)C(=O)c2cc(F)ccc2C	586
+CC(C)(C)OC(N1CC(CCC1)C(=O)c2ccccc2Oc3ccccc3)=O	7493
+Clc1cccc(c1)C(CCCCOC)(C2CCCNC2)OC	2
+c1c(Cl)c(c(cc1)Cl)-c2n(CC3CCCNC3)c4nc(NCc5ccc(F)c(F)c5)ncc4c2Br	2
+CC(C)(C)OC(=O)N1CCCC(Nc2c(c(OC)nc(N3CCOCC3)n2)I)C1	1154
+CC(C)(C)OC(=O)N1CC(CCC1)Nc2c(c(OC)nc(n2)SC)I	1154
+c1cc(cc(c1Cl)Cl)N=C(N)Nc2nc(cc(n2)C)NC3CCCNC3	7494
+c1ccccc1COC(C(C)(C)Oc2cccc(C3CCCNC3)c2)=O	2
+CC(C)(C)OC(=O)N1CC(CCC1)c2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2	4184
+c1cc(ccc1)COC(=O)N2CCN(CC2)CC3CCCNC3	2
+c1ccccc1COC(NCC2CNCCC2)=O	2
+CC(C)(C)OC(N1CC(CCC1)CNc2nc(ncc2N)NCc3cc(c(F)cc3)F)=O	193
+C1C(CCCN1)(COC)Cc2c(F)cccc2	2
+CC(C)(C)OC(N1CCCC(NC(=O)c2c(ncc(n2)-c3cc(ccc3)CO)N)C1)=O	356
+CC(C)(C)OC(N1CCCC(Nc2c(cnc(-c3c[nH]c4ncc(cc34)Cl)n2)F)C1)=O	392
+c1cc(ccc1C)S(=O)(=O)n2c3ncc(cc3c(-c4ncc(F)c(NC5CNCCC5)n4)c2)Cl	2
+Clc1cnc2[nH]cc(-c3nc(c(cn3)F)NC4CNCCC4)c2c1	2
+n1c2ccc(C#N)cn2c(-c3nccc(n3)NC4CNCCC4)c1	2
+C1CCN(C1)CCOc2nc(nc(NC3CCCNC3)c2)-c4cnc5n4cc(F)cc5	2
+c1cc2c(sc(NC3CCCNC3)n2)cc1Oc4cc(-c5cnn(C)c5)ncc4	2
+CC(C)(C)OC(N1CCCC(Nc2nc3ccc(cc3s2)Oc4cc(ncc4)-c5cnn(C)c5)C1)=O	1396
+CC(C)(C)OC(N1CCCC(c2nc(N)nc(-c3c(O)cccc3O)c2)C1)=O	16
+CC(C)(C)OC(N1c2c(cc(Br)cc2)C(C(CC1)C(=O)OC)=O)=O	1985
+CC(C)(C)OC(N1CCCC(c2cc(-c3c(cccc3O)OCc4ccc(cc4)C)nc(N)n2)C1)=O	22
+CC(C)(C)OC(N1CCCC1(Cc2ccc(cc2)-c3ccc(F)cn3)C(NCC(=O)CC(C)(C)CC)=O)=O	86
+CC(C)(C)OC(N1CCCC1(C(=O)NCC(CC(C)(C)CC)O)Cc2ccc(cc2)-c3ccc(F)cn3)=O	4185
+CC(C)(C)OC(=O)N1CCCC1(c2nc(CC(C)(C)CC)c[nH]2)Cc3ccc(cc3)-c4ccc(F)cn4	4186
+CC(C)(C)OC(N1C2(CCC1)CN(CC2)c3ccc([N+]([O-])=O)c(OC(C)C)c3)=O	34
+CC(C)(C)OC(=O)N1C(CCC1)c2cc3c(o2)cc(Cl)c(Cl)n3	7495
+c1cc(ccc1Cl)-c2cccc(NC(C3NCCC3)=O)c2	255
+c1cc(ccc1Cl)-c2cccc(NC(=O)C3CCCN3C(=O)C(NC(=O)OC)C(C)C)c2	2654
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)Oc3ccc(cc3)-c4cnccc4)=O	754
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCc3ccc(cc3)C(F)(F)F)=O	22
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCC#Cc3ccc(cc3)Br)=O	121
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)O)=O	16
+CC(C)(C)OC(N1C(c2sc(-c3nc4cccc(c4[nH]3)C(N)=O)cc2)CCC1)=O	7496
+CC(C)(C)OC(N1CCCC1c2ccc(s2)C(O)=O)=O	1
+CC(C)(C)OC(=O)N1CCCC2CNCC12	25
+CC(C)(C)OC(N1CCCCC1C(NC(CC)C=CC(O)=O)=O)=O	127
+CC(C)(C)OC(=O)N1C(CCCC1)C(NC(Cc2ccc(nc2)Br)C#N)=O	143
+CC(C)(C)OC(=O)N1CCCCC1C(=O)NC(C=CC(=O)N2CCc3c2cccc3)CC	7497
+CC(C)(C)OC(=O)N1C(Cc2oc3ccccc3n2)CCCC1	1692
+CC(C)(C)OC(=O)N1C(CCCC1)CCOc2c(c(O)nc3c2cc([N+]([O-])=O)c(Cl)c3)-c4cc(C)cc(C)c4	1175
+FC(F)(F)c1ccn2cc(nc2c1)CC3CCCCN3	2
+o1c(-c2cc(ccc2)C#N)cc(C3NCCCC3)n1	2
+Clc1cccc(c1)-c2onc(C3NCCCC3)c2	2
+CC(C)(C)OC(=O)N1CCCN(CC1)c2nc(cc3ccccc23)C(=O)c4c(nccc4)F	7498
+CC(C)(C)OC(N1CCCN(c2nc3ccccc3n2CCn4ccnc4)CC1)=O	1193
+c1ccccc1COC(=O)N2CCNCC2C(Nc3ccc(cc3)Cl)=O	2
+O=S(=O)(N1C(C(OCC)=O)CNCC1)c2ccc(cc2)OCC#CC	2
+C1(C(=O)OCC)N(CCc2ccc3c(c2)OCCO3)CCNC1	2
+CC(C)(C)OC(N1CC(N(CC1)CCOCCO)CN)=O	51
+C1N(CC1C(=O)N2CCNCCC2)C(=O)c3cnc(C)cc3	2
+CC(C)(C)OC(N1CCN(C(C2CN(C2)C(c3ccc(nc3)C)=O)=O)CCC1)=O	1558
+c1ccccc1COC(N2CCNCC2C(N(C)OC)=O)=O	2
+c1cc(ccc1)COC(N2C(CNCC2)c3ccccc3)=O	2
+CC(C)(C)OC(N1CCN(CC1C(=O)c2oc3ccccc3c2)C)=O	7499
+CC(C)(C)[Si](C)(C)OCC1CN(CCN1C2COC2)C(OC(C)(C)C)=O	19
+C1CN(CCN1)C(C2N(CCCC2)C)=O	2
+C1CN(CCN1)C(=O)C2Cc3c(ccc(Cl)c3)O2	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2oc(nn2)C3CCC4N(C(=O)N3C4)OCc5ccccc5	7500
+C1CNCCN1C(Nc2noc3c2cccc3)=O	2
+FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N4CCNCC4)cn1	2
+c1cc(ccc1S(=O)(=O)NCC(C(=O)OC)(C(=O)OC)N2CCNCC2)OCC#CC	2
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(OC)=O)(C(OC)=O)CN	45
+CC(C)(C)OC(N1CCN(CC1)C(C2CCCCN2)=O)=O	679
+C1CN(CCN1)C(=O)CCc2c3C(=O)CCCc3[nH]c2	2
+CC(C)(C)OC(N1CCN(CC1)C(Cn2c3c(c(Cl)ncc3)cc2)=O)=O	7501
+C1CN(CCN1)C(=O)CN2Sc3c(C2=O)cccc3	2
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(Cc2ccc(cc2)Cl)CCN(CC)CC	776
+CC(C)(C)OC(N1CCN(CC1)C(Cn2ccc3c(nccc23)Nc4ncc(C#N)s4)=O)=O	7502
+C1CN(CCN1)C(=O)NCc2ccc(cc2)C#N	2
+CC(C)(C)OC(N1CCN(CC1)C(CN)c2ccccc2F)=O	51
+C1CN(CCN1)C(c2c3c(n(-c4ccccc4)c2Oc5c(ccc(F)c5)C)cnc(c3)OC)=O	2
+C1CNCCN1C(=O)c2c3n(c(-c4ccccc4)c2Cc5c(C)c(F)ccc5)ccc(Br)c3	2
+CC(C)(C)OC(=O)N1CCN(CC1)C2(CC2)C(=O)N3CC(S(=O)(=O)c4ccccc4Cl)CC3C(NC5(CC5)C#N)=O	348
+C1CN(CCN1)C2(Cc3cccc(Cl)c3)C(=O)Nc4cc(Cl)ccc24	2
+c1cc(ccc1Cl)CN2C=NC(N3CCNCC3)=NC2=O	2
+C1CN(CCN1)C2c3c(cccc3)CCCC2	2
+C1CN(CCN1)CC(N(C2CCc3ccc(cc3C2)OC)CCC)=O	2
+C1CN(CCN1CC(CNC(OCc2ccccc2)=O)O)C	352
+CC(C)(C)OC(N1CCN(CC1)CCCN=[N+]=[N-])=O	310
+CC(C)(C)OC(N1CCN(CC1)CCCCNC(c2cc3cnccc3[nH]2)=O)=O	81
+CC(C)(C)OC(N1CCN(CC1)CCCCN)=O	45
+CC(C)(C)OC(N1CCN(CC1)CCCN2C(C(c3c(c(OC)cc(OC)c3Cl)Cl)=Cc4c2nc(nc4)SC)=O)=O	7503
+CC(C)(C)OC(N1CCN(CC1)CCCNc2ncc(c(-c3cc4ccc(cc4s3)C(NC)=O)n2)C)=O	96
+CC(C)(C)OC(N1CCN(CC1)CCCN)=O	18
+CC(C)(C)OC(N1CCN(CC1)CCCI)=O	343
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCCN3CCN(CC3)C(=O)OC(C)(C)C	2666
+CC(C)(C)OC(N1CCN(CC1)Cc2sc3c(nc(nc3N4CCOCC4)-c5cnc(nc5)N)c2C)=O	2685
+C1CNCCN1Cc2c(cc(cc2)-c3cc(ncc3)C)F	2
+c1c(F)c(c(cc1)F)C(Nc2cn[nH]c2-c3[nH]c4ccc(cc4n3)CN5CCNCC5)=O	2
+FC1(F)C(CN2c3c(nc(-c4c(C)ccc(CN5CCNCC5)c4)cc3)N(S2(=O)=O)C)C1	2
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)C(C=Cc3cnc(C=CC(=O)O)cc3)=O)=O	4187
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)Nc3c(c(nc(n3)N4CCOCC4)C=CN(C)C)C(OCC)=O)=O	1693
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(cc5)CN6CCNCC6)s4)ncc3	2
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc3c(nc(-c4cc(N)ccc4)o3)n2)=O	0
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc3c(nc(o3)-c4cccc(c4)NC(=O)c5cccc(c5)N(C)C)n2	50
+CC(C)(C)OC(N1CCN(CC1)Cc2cnc(c(c2)B(O)O)F)=O	2698
+C1CN(CCN1)Cc2cc(cnc2)C(=O)OC	2
+C1CN(CCN1c2c(Br)cnc(N)c2[N+]([O-])=O)Cc3cscn3	7504
+n1cc(cnc1N)-c2nc3c(c(CN4CCNCC4)sc3c(n2)N5CCOCC5)C	2
+O=S(=O)(c1c2ccccc2ccc1)N3CCNCC3	2
+C1CNCCN1c2[nH]c(-c3cc(ncc3)Cl)cc2C#N	2
+C1CN(CCN1)c2c(C)cc(C)cn2	2
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(N3CC(C)OC(C)C3)cc2)C4CCC(C)(C)CC4)=O	79
+CC(C)(C)OC(N1CCN(CC1)c2c(c(ncn2)N)C=NOCC)=O	7505
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(cc2)C(=O)O)F)=O	1
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(N3C(=O)OC(CN=[N+]=[N-])C3)cc2)F)=O	133
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(OCc3ccccc3)ccc2NC(c4c5ccccc5ccc4)=O	50
+CC(C)(C)OC(N1CCN(CC1)c2c(ccc(NCc3ccccc3)c2CN)F)=O	107
+C1CNCCN1c2c(C=NOCC)c(ncn2)N	2
+C1CC1c2c(ncc(c2)C3CC3)N4CCNCC4	2
+C1CNCCN1c2c(cc(cn2)CC(CO)O)F	2
+C1CN(CCN1)c2ccc(N3CC(C)OC(C)C3)cc2C4CCC(C)(C)CC4	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2F)C(=O)NC(C)C)=O	14
+CC(C)(C)OC(N1CCN(CC1)c2c(F)cc(cc2)N3C(=O)OC(C3)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1CCN(CC1)c2c(C)cc(cn2)C)=O	4188
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(cn2)C(N(C)OC)=O)Cl)=O	1012
+CC(C)(C)OC(N1CCN(CC1)c2c(c(ccc2F)NCc3ccccc3)C#N)=O	60
+CC(C)(C)OC(N1CCN(CC1)c2c(cccc2)-c3ccc(cc3)CO)=O	41
+CC(C)(C)OC(N1CCN(CC1)c2ccccc2-c3ccc(cc3)COS(=O)(=O)C)=O	7
+C1CNCCN1c2c(cccc2[N+](=O)[O-])Cl	2
+CC(C)(C)OC(N1CCN(CC1)c2c(-c3ccccc3)cnc4c2c(OC)nn4Cc5ccc(cc5)OC)=O	7506
+CC(C)(C)OC(N1CCN(CC1)c2c(nc(Br)cn2)NN)=O	2839
+CC(C)(C)OC(N1CCN(CC1)c2ncc(Br)n3c2nnc3)=O	4189
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(Nc4nc(S(=O)(=O)C)nc(c4C#N)CC)C)=O	528
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(Nc4c(C#N)c(CC)nc(N)n4)C)=O	1408
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(C)Nc4c(C#N)c(CC)nc(n4)SC)=O	40
+C1CNCCN1c2cccnc2-c3ccc(cc3)F	2
+CC(C)(C)OC(N1CCN(CC1)c2c3c(ncc2-c4ccccc4)n[nH]c3I)=O	4190
+CC(C)(C)OC(N1CCN(CC1)c2c(cnc3c2c(I)nn3Cc4ccc(cc4)OC)-c5ccccc5)=O	7507
+CC(C)(C)OC(N1CCN(CC1)c2nc(-c3ccsc3)cn4c2nnc4)=O	7508
+CC(C)(C)OC(N1CCN(CC1)c2ncnc3n(c(Cl)nc23)C)=O	7509
+CC(C)(C)OC(N1CCN(CC1)c2cc(Br)cc3c2nc(cc3)C=O)=O	501
+CC(C)(C)OC(N1CCN(CC1)c2cc(C(N)=O)c(c(-c3cc(F)ncc3)n2)-c4ccccc4)=O	169
+CC(C)(C)OC(N1CCN(CC1)c2cc3nc(-c4c(I)ccnc4OC)[nH]c3c(C)c2)=O	1637
+CC(C)(C)OC(N1CCN(CC1)c2c(N)ccc(c2)OCc3ccccc3)=O	0
+CC(C)(C)OC(N1CCN(CC1)c2cc(ccc2OC)N)=O	0
+CC(C)(C)OC(N1CCN(CC1)c2cc(C)c(N)c(c2)N)=O	0
+CC(C)(C)OC(N1CCN(CC1)c2cc(C(O)=O)c(-c3ccccc3)c(n2)-c4ccnc(F)c4)=O	1
+CC(C)(C)OC(N1CCN(CC1)c2c(OC)ccc(c2)NS(=O)(=O)c3cccc(c3)OC(F)F)=O	69
+CC(C)(C)OC(N1CCN(CC1)c2nc(-c3cc(ncc3)Cl)c(-c4ccc(cc4)F)cc2)=O	89
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cn2)C#Cc3ncc(cc3)C(F)(F)F	943
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cc(C(=O)OC)cc2)N	0
+C[Si](C)(C)C#Cc1cnc(N2CCN(CC2)C(OC(C)(C)C)=O)cc1	1042
+CC(C)(C)OC(N1CCN(CC1)c2ccc(Nc3ncc4c(C)c(n(C5CCCC5)c4n3)C(=O)NNC(=O)C)nc2)=O	4191
+CC(C)(C)OC(N1CCN(CC1)c2ccc(Nc3nc4n(c(C(=O)O)c(c4cn3)C)C5CCCC5)nc2)=O	1
+C1CNCCN1c2ccc(cc2)-c3c4c5c(scc5)c(O)nc4ccc3OC	2
+c1cc(ccc1N2CCNCC2)-c3ccc(cc3)CNC(C(=O)NCC#N)CC(C)C	2
+CC(C)CC(Nc1ccc(cc1)-c2ccc(cc2)N3CCNCC3)C(NCC#N)=O	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)-c3ccc(cc3)CNC(C(=O)NCC#N)CC(C)C)=O	11
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)-c3ccc(cc3)NC(C(NCC#N)=O)CC(C)C)=O	11
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2)-c3c(cccc3)CC(C(NCC#N)=O)CC(C)C	11
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2)-c3ccc(Cl)c(N4C(C(NCC#N)=O)CC(C4)C)c3	11
+C1CN(CCN1)c2ccc(cc2)C(=O)O	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)C(=O)O)=O	6
+c1cc(ccc1C2=NCCO2)N3CCNCC3	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)Nc3nc4N(CC)C(C(c5sccn5)=Cc4c(C)n3)=O)=O	4169
+c1cc(ccc1N2CCNCC2)Nc3nc4N(CC)C(C(c5sccn5)=Cc4c(C)n3)=O	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)OCC(O)(C)CCOCc3ccccc3)=O	626
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)OCC(O)(CCO)C)=O	118
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)OCC(O)(CCOS(=O)(=O)c3ccc(cc3)C)C)=O	36
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)OCC(C)(CCn3c(Cl)nc([N+](=O)[O-])c3)O)=O	2840
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2C(O)=O)F)=O	1
+CC(C)NC(=O)c1cc(c(N2CCNCC2)cc1)F	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc3c(c(nn3CC(C)C)S(=O)(=O)c4c5c(ccc4)cccc5)c2)=O	2437
+CC(C)(C)OC(N1CCN(CC1)c2cccc3cc[nH]c23)=O	4192
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(-c3[nH]c4ccccc4n3)ccc2	4193
+c1cc(ccc1)Sc2c3c(c(ccc3)N4CCNCC4)[nH]c2	2
+CC(C)(C)OC(N1CCN(CC1)c2cccc3c2[nH]cc3Sc4ccccc4)=O	7510
+C1CNCCN1c2c3ccc(nc3ccc2)C	2
+CC(C)(C)OC(N1CCN(CC1)c2c(cccc2)-c3ccc(cc3)Cn4ccc5cc(F)ccc45)=O	4194
+C1CNCCN1c2c(N(S(=O)(=O)C)C)cccc2	2
+C1CN(CCN1)c2c(OCOCCOC)cccc2	2
+CC(C)(C)OC(N1CCN(CC1)c2c(nccc2)-c3ccc(cc3)F)=O	140
+CC(C)(C)OC(N1CCN(CC1)c2ccnc(n2)-c3c(F)c(ccc3)F)=O	345
+C1CN(CCN1)c2nc(ncc2)-c3c(F)c(ccc3)F	2
+C1CN(CCN1)c2cnc(Br)cc2	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(nc2)CCc3ccc(cc3)CO	4195
+CC(C)(C)OC(N1CCN(CC1)c2cnc(C=Cc3ccc(cc3)CO)cc2)=O	3443
+CC(C)(C)OC(N1CCN(CC1)c2nc(cnc2)OC)=O	799
+CC(C)(C)OC(N1CCN(CC1)c2cncc(n2)N(Cc3nc(C)ccc3)C)=O	317
+C1CNCCN1c2cncc(n2)N(Cc3nc(C)ccc3)C	2
+C1CNCCN1c2nc(cc(C(C)C)n2)Nc3ccc(cc3)C	2
+C1CNCCN1c2noc(C(C)C)n2	2
+CC(C)(C)OC(N1CCN(CC1)c2nc(nc(n2)O)Cl)=O	7511
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc(n2)N3CC4CCC(C3)O4)-c5ccc(cc5)N	1582
+C1CCCCC1Nc2nccc(-c3nc(cc(c3-c4ccccc4)C(N)=O)N5CCNCC5)c2	2
+C1CCCCC1Nc2nccc(-c3cccc(n3)N4CCNCC4)c2	2
+CC(C)(C)OC(N1CCN(CC1)c2nc(-c3cc(ncc3)Cl)ccc2)=O	1238
+C1CNCCN1c2nc(cnc2)OC	2
+C1CN(CCO1)c2nc(-n3c(nc4c(cccc34)OC)C(F)F)nc(n2)N5CCNCC5	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc(N(C)CCCc3ccc(cc3)Cl)n2)NCCc4ccc(cc4)O	387
+CC(C)(C)OC(N1CCN(CC1)c2nc(ncn2)O)=O	4196
+CC(C)(C)OC(N1CCN(CC1)C2=NC(=O)N(Cc3ccc(cc3)Cl)C=N2)=O	7512
+C1CN(CCN1)c2nc(O)c3CCCN(C)c3n2	2
+C1CN(CCO1)c2cncc(c2)Nc3c(C)c(nc4c3c(cc(F)c4)F)N5CCNCC5	2
+C1CN(CCN1)c2ccc(-c3nc(OC(C4CNC(=O)C4)C)c5c(c3)ncn5C)cn2	2
+C1CN(CCN1)c2ncc(cc2)[N+](=O)[O-]	2
+n1cc(cnc1N2CCNCC2)O	2
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cn2)OCc3cnc(nc3)Cl)=O	1897
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cn2)OCc3cnc(nc3)N)=O	911
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cn2)OCc3cnc(nc3)NC(C(C)C)=O)=O	784
+C1CNCCN1c2cc(ccn2)-c3c(F)c(F)ccc3	2
+C1CCCCN1c2c(nccn2)N3CCNCC3	2
+c1cc(ccc1-c2ncnc(N3CCNCC3)c2)F	2
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(-c3ccc(cc3)F)c2)=O	7513
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(NCC(=O)OCC)c2N)=O	193
+C1CN(CCN1)c2cc(O)ncn2	2
+c1cc(ccc1)-c2cc(N3CCNCC3)nnc2C#N	2
+CC(C)(C)OC(N1CCN(CC1)c2nnc(C#N)c(c2)-c3ccccc3)=O	2660
+c1cc(ccc1)CN2CCNC(C2)C	2
+CC(C)(C)OC(N1C(COC)CN(C(=O)c2cc(OC)c(c(c2)OC)OC)CC1)=O	76
+CC(C)(C)OC(N1CCN(CC2(CCN(CC2)c3ncncc3)O)C(=O)C1)=O	511
+C(=C)CN1CCNCC1=O	255
+CC(C)(C)OC(N1CCN(C(C2CNC2)=O)CCC1)=O	62
+C1C(CC1)N2CCCNCC2	2
+c1cc(N2CCCNCC2)ncc1Br	2
+CC(C)(C)OC(=O)N1CCNCC1CCCC	25
+c1cc(ccc1F)S(=O)(=O)N2C(C(OCC)=O)CNCC2	2
+C1CN(CCN1C(OCc2ccccc2)=O)c3ccc(cc3)N4CCNc5ccccc45	396
+CC(C)(C)OC(=O)N1CCN(C(CC)C1)c2ccc([N+]([O-])=O)nc2	244
+CC(C)(C)OC(N1CC(C(N(C)Cc2nc3c(cc2)SCC(N3)=O)=O)OCC1)=O	10
+CC(C)(C)OC(=O)N1CC(OCC1)C(NCCc2cc(c([N+]([O-])=O)cc2Cl)OC)=O	9
+CC(C)(C)OC(N1CC(C(=O)OCc2ccccc2)OCC1)=O	283
+CC(C)C1OCCNC1	2
+CC(C)(C)OC(=O)N1CC(OCC1)CNC(Nc2ccc(cc2)Cl)=O	282
+CC(C)(C)OC(=O)N1CCOC(C1)CNc2nc(Cl)cc3nccnc23	1679
+CC(C)(C)OC(N1CC(OCC1)Cn2cc(nn2)-c3nc(cc(C)c3)Nc4cc(C(F)F)ccn4)=O	2743
+CC(C)(C)OC(N1CCOC(Cc2ccc(cc2)O)C1)=O	16
+c1nc(ncc1Br)N2CC(Cn3c4nc(-c5cn(C)nc5)cnc4nn3)OCC2	4106
+CC(C)(C)OC(N1CC(C(OCC1)c2cc(Cl)c(Cl)cc2)COS(=O)(=O)C)=O	7
+c1nc(Nc2ncc(cc2)Cl)ccc1C3OCCNC3	2
+c1cc(ccc1-c2c3c(N)ncnc3n(C4COCCNC4)n2)Oc5ccccc5	2
+O=S(=O)(C1CC1)NCC2NCCOC2	2
+c1(-c2ccc(-c3ccc4OCCNCc4c3)cn2)ncc[nH]1	2
+CC(C)(C)OC(=O)N1CCc2c(c3c(c(cc(c3)C)C)n2C)C1	4197
+FC(F)(F)c1c2c(n[nH]1)CN(CC2)C	352
+CC(C)(C)OC(N1CCc2ccc(c(CSc3ccc(cc3)-c4nc(NCC5CC5)sc4)c2CC1)Cl)=O	607
+CC(C)(C)OC(N1CCc2c(CC1)ccc(Cl)c2CS)=O	7514
+c1ccccc1COc2cc3CCNCCc3cc2	2
+CC1(C)OB(OC1(C)C)c2ccc3CCN(C(OC(C)(C)C)=O)CCc3c2	425
+c1cc(ccc1NS(=O)(=O)C)-n2nc3c(c2)CCNCC3	2
+CC(C)(C)OC(N1CCc2c3c(n(CCN)c2CC1)cccc3)=O	18
+CC(C)(C)OC(N1CCc2c(CC1)n(c3c2cccc3)CCN=[N+]=[N-])=O	133
+CC(C)(C)OC(N1CCc2c(c3N(CCCc3cc2CC1)C(=O)C(C)C)Cl)=O	192
+CC(C)(C)OC(=O)N1CCc2onc(c2C1)C(O)=O	6
+CC(C)(C)OC(N1CCc2c(CC1)n(c3ccccc23)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1CCc2ccc(CCOS(=O)(=O)c3ccc(cc3)C)cc2C1)=O	36
+CC(C)(C)OC(N1CCc2c(cc(COS(=O)(=O)C)s2)C1)=O	7
+CC(C)(C)OC(N1CCc2ccc(cc2C1)C(O)=O)=O	1
+CC(C)(C)OC(N1CCc2c(c(Cl)c3NCCCc3c2)CC1)=O	15
+CC(C)(C)OC(N1CCc2ccc(-c3noc(-c4cc(c(OC(C)C)cc4)C#N)n3)c(C)c2CC1)=O	7515
+CC(C)(C)OC(N1CCc2ccc(c(c2CC1)N)O)=O	0
+C1C(CN1c2c3CCNCCc3nc4ccnn24)C(N5CC(C#C)CC5)=O	2
+c1cc(ccc1-c2sc3CNCCc3n2)OC4CC(C4)N5CCCCC5	2
+c1cc(cc2CCNc12)-c3cccc4c3c(nn4C)N	396
+CC(C)(C)OC(=O)N1c2c(cc(C(=O)O)cc2)CC1	1
+CC(C)(C)OC(N1CCc2c(c3c(cccc3)n2CCNC(=O)Nc4ccccc4)CC1)=O	282
+CC(C)(C)OC(N1CCc2n(CCNC(=O)c3ccccc3)c4ccccc4c2CC1)=O	93
+N1Cc2sc3ncc(c(Nc4cc(Cl)c(F)cc4)c3c2CC1)C#N	2
+CC(C)(C)OC(=O)N1Cc2n(c3c(cc(cc3)Br)c2CC1)C	144
+CC(C)(C)OC(N1CCc2c(c3c(cccc3)n2CCO)CC1)=O	665
+CC(C)(C)OC(N1CCc2c1ccc(-c3c4c(n(nc4N)C)ccc3)c2)=O	7516
+n1c2cc3c(cc2oc1C)CCNCC3	2
+CC(C)(C)OC(N1CCc2ccc(cc2C1)CCN3C=CC(OCc4ccccc4)=CC3=O)=O	7517
+CC(C)(C)OC(=O)N1CC2CN(Cc3ccccc3)c4c2c(ccc4Cl)CC1	507
+CC(C)(C)OC(=O)N1CCc2c(cc(OCC3CCN(CC3)c4ccncc4)cc2)C1	126
+CC(C)(C)OC(N1CCc2c(ccc(c2[N+]([O-])=O)O)CC1)=O	77
+CC(C)(C)OC(=O)N1CCc2ccc(Oc3ncc(C(NC)=O)cc3)cc2CC1	136
+CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Oc3ncc(Br)cc3	136
+CC(C)(C)OC(N1CCc2c(CC1)ccc(OCc3ccccc3)c2)=O	22
+c1cc(ccc1SCc2c3c(CCNCC3)ccc2Cl)-c4nc(NCC5CC5)sc4	2
+CC(C)(C)OC(N1CCc2c(ccc(c2C)C(N)=NO)CC1)=O	253
+CC(C)(C)OC(=O)N1CCc2c(CC1)ccc3oc(nc23)C	2794
+FC(F)(F)CCN1CCN(CC1)c2c(ccc(Cl)c2)NC(=O)c3ccc4c(c3)CN(C(OC(C)(C)C)=O)CC4	67
+CC(C)(C)OC(N1CCc2ccc(C(OCC3CCN(CC3)c4ccncc4)=O)cc2C1)=O	1533
+c1cc(ccc1)COC=2C=CN(CCc3ccc4CCNCc4c3)C(=O)C=2	2
+N1Cc2c3c(n(C)c2CC1)c(C)ccc3F	2
+C1COCCC1n2c3c(c(N4CCCc5c4cc(c(Br)c5)C#N)n2)CNCC3	2
+C1c2n3c(ccn3)ncc2CNC1	2
+c1cc(C#N)cc2C(c3nc4CCNCc4cc3)C(=O)Nc12	2
+O=S(=O)(C)c1nc(-c2c(Cl)cc(cc2)Cl)c3c(CCNC3)n1	2
+c1cc(ccc1C(=O)NC)-n2nc3c(c2)CCNCC3	2
+CC(C)(C)OC(N1CCc2nn(-c3ccc(cc3)C(=O)NC)cc2CC1)=O	14
+O=S(=O)(c1ccc(cc1)-n2cc3c(n2)CCNCC3)C	2
+CC(C)(C)OC(N1CCn2c(nc(c2C1)C(NC(CC(C)C)C(=O)NC)=O)Br)=O	4040
+CC(C)(C)OC(=O)N1Cc2c(c(nn2CC1)-c3cc(F)ccc3)C#N	4198
+Ic1cnn2CCNCc12	2
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(=O)Oc5ccccc5)=O	90
+CC(C)(C)OC(=O)N1C2COCC2n3nc(-c4cc(Cl)c(cc4)F)c(c3C1)C(N)=O	1196
+CC(C)(C)OC(N1Cc2n(CC1)c(Cl)cc2C(N)=O)=O	2148
+c1cc(ccc1)-c2n3CCCNCc3c(C(OCC)=O)n2	2
+C1CC1NC(Nc2ccc(cc2)-c3nc4c(CNC4)c(n3)N5CCOCC5C)=O	2
+C1CC1Nc2nc3CCNCc3cn2	2
+CC(C)(C)OC(N1CCc2c(cc(-c3ccccc3)s2)C1)=O	268
+c1cc(ccc1)-c2[nH]c(C3NCc4c(cccc4)C3)nc2	2
+C1CCCN1c2cnn3CCNCc23	2
+CCOC(=O)c1c2c(CCNC2)[nH]n1	2
+FC(F)(F)c1ccccc1C2CCN(CC2)C(=O)c3c4CN(C)CCCc4[nH]n3	352
+CC(C)(C)OC(N1Cc2c(c(-c3nn(C)nn3)c(NC(=O)C)s2)CC1)=O	1694
+CC(C)(C)OC(=O)N1Cc2c(c(Nc3cnc4c(c3)cccc4)ncn2)C1	2645
+N1Cc2ccc(N)cc2CC1	2
+CC(C)(C)OC(N1CCc2cc(C=O)ccc2C1)=O	39
+c1cc(ccc1-c2ccc3c(CNCCO3)c2)-c4n(ccn4)C(=O)OCC(C)C	2
+CC(C)(C)OC(N1Cc2c(CC1c3ncc(-c4ccccc4)[nH]3)cccc2)=O	2841
+CC(C)(C)OC(N1CCc2nc(C3c4cc(C#N)ccc4NC3=O)ccc2C1)=O	4117
+C1c2c(CN1)cnc(SC)n2	2
+CC(C)(C)OC(N1Cc2c(-c3ccc(cc3)N)nc(nc2C1)N4CCOCC4C)=O	0
+CC(C)(C)OC(=O)N1Cc2c(CC1)nc3ccc(C#N)cc3c2NCc4ccc(c(c4)Cl)OC	105
+CC(C)(C)OC(N1CCc2n(C)c3c(c(ccc3C)F)c2C1)=O	4197
+CC(C)(C)OC(N1CCc2c(C1)c3c(n2C)c(Sc4ccc(cc4)C)ccc3)=O	144
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C=CC(O)=CC4=O)=O	923
+FC(F)(F)c1ccc(nc1)COC2=CC(=O)N(C=C2)c3cc4c(cc3)c5CN(C(OC(C)(C)C)=O)CCc5n4C	7518
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C(=O)C=C(c5ccc(cc5OC)Cl)C=C4)=O	2793
+FC(F)(F)c1cnc(N2CCN(C(=O)C2)c3ccc4c5c(n(c4c3)C)CCN(C(OC(C)(C)C)=O)C5)cc1	2653
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C=CC(=CC4=O)OCc5ccccn5)=O	2027
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C(=O)C=C(OCc5ccccc5)C=C4)=O	2027
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C(C=C(C=C4)c5ccc(F)cc5OC)=O)=O	2793
+CC(C)(C)OC(=O)N1CCOc2ccc3n(cc(c3c2C1)Cl)S(=O)(=O)c4ccccc4	573
+CC(C)(C)OC(N1CCn2c(c(c(-c3cccc(c3)F)n2)I)C1)=O	1160
+O=S(=O)(CC)c1ccc(cc1)CNC(=O)c2ccc3c(c2)CNC3C(C)C	2
+CC(C)(C)OC(N1CCc2c(cc(CO)s2)C1)=O	2842
+CC(C)(C)OC(N1C(C(C)C)c2ncc(cc2C1)C(=O)NCc3ccc(cc3)S(=O)(=O)CC)=O	56
+C1CCCN1Cc2cc3CNCCc3s2	2
+C1CN(CCN1C(C2CCOCC2)=O)Cc3ccc4c(CCNC4)c3	2
+CC(C)(C)OC(N1CC(C)N2c3c(cccc3C1)C(CC2)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1Cc2cccc3n(cc(CC1)c23)S(=O)(=O)c4ccccc4)=O	367
+O=S(=O)(n1c2c3c(CNCCc3c1)ccc2)c4ccccc4	2
+CC(C)(C)OC(N1CCn2c(c(C(O)=O)nc2Br)C1)=O	1
+CC(C)(C)OC(=O)N1CC2N(C(C)C1)c3nc(ccc3C2)Br	7519
+CC(C)(C)OC(=O)N1Cc2n(CC1)c(c(c2C(OCC)=O)-c3cccc(c3)F)C#N	2843
+C1C2CC(CC(CC1)N2C(=O)c3nn4c(c3)CNCC4)C(OCC)=O	2
+CC(C)(C)c1ccccc1OCCN(C)C(=O)c2n[nH]c3c2CN(C3)C(=O)OC(C)(C)C	147
+FC(F)(F)c1ccccc1C2CCN(CC2)C(c3n[nH]c4CN(C(OC(C)(C)C)=O)Cc34)=O	147
+c1ccccc1OCc2nc3CNCCc3o2	2
+CC(C)(C)OC(=O)N1Cc2c(CC1)nc(I)[nH]2	7520
+CC(C)(C)OC(N1CCc2c3c(ncc(c3Nc4ccc(F)c(Cl)c4)C#N)sc2C1)=O	2844
+N1Cc2sc3c(c2CC1)c(ncn3)Cl	2
+CC(C)(C)OC(=O)n1c2c(cccc2c(n1)OC)F	7521
+CC(C)(C)OC(=O)N1CC(CCl)c2c3ccccc3c(cc12)[N+]([O-])=O	1507
+CC(C)(C)OC(N1c2c(CC1)ccc(N=C=S)c2C)=O	1695
+CC(C)(C)OC(N1CCc2ccc(c(C)c12)NC(NCCN)=S)=O	1167
+CC(C)(C)OC(N1c2cc(C(=NO)C)ccc2CCC1)=O	189
+CC(C)(C)OC(=O)N1CC(CO)c2c3c(c(OCc4ccccc4)cc12)nccc3	59
+CC(C)(C)OC(N1CC(c2c3c(c(OCc4ccccc4)cc12)nccc3)CCl)=O	7522
+CC(C)(C)OC(=O)N1c2c(C=C(C(=O)OC)CC1)cc(cc2)Br	7523
+c1cc(cc2CCCNc12)OCCCCN(CC=C)C	396
+CC(C)(C)OC(=O)N1c2c(CCC1)ccc(C(N)C)c2	840
+c1(cc2c(OCCN2)cc1)C=O	396
+CC(C)(C)OC(=O)N1CCC(C)(C)c2ccc(cc12)N	0
+CC(C)(C)OC(NC1=Nc2cc(Br)ccc2C=C(C1)C(=O)O)=O	7524
+c1cnccc1C2(N=C(c3c2cccn3)N)c4cc(ccc4)OCCC(C)C	7525
+CC(C)(C)OC(N=C1NC2(COC(CC2CS1)CO)c3c(F)ccc(N)c3)=O	0
+CC(C)(C)OC(NC(CCC)(CN)C)=O	51
+CC(C)(C)OC(NC(C(O)CCl)Cc1cc(F)cc(F)c1)=O	100
+CC(C)(C)OC(=O)NC(C=O)CC#CC	378
+CC(C)(C)OC(=O)NC(C(c1ccccc1)=O)CCC	832
+CC(C)(C)OC(NC(CCS(=O)(=O)C)C=O)=O	378
+CC(C)(C)OC(NC(Cc1cc(CCl)ccc1)C(=O)N(c2ccc(cc2)OC)C)=O	2845
+CC(C)(C)OC(=O)NC(CCCCNC(c1cc(C(=O)C)ccc1OCC#C)=O)C(=O)N	7526
+c1cc(ccc1CC(C(N)=O)N)I	84
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)C#N	143
+CC(C)(C)OC(=O)NC(C(=O)N1CC(O)CC1C(=O)O)C(C)CC(CCC=C)C	4
+CC(C)(C)OC(NC(C(=O)N1CCCC1C#N)Cc2c[nH]c3ccc(cc23)Oc4ccc(cc4)[N+](=O)[O-])=O	143
+CC(C)(C)OC(NC(C(C1CCC(CC1)NC)C)C(=O)N2CCC(F)C2)=O	25
+c1cc(ccc1[N+](=O)[O-])Oc2ccc3[nH]cc(c3c2)CC(N)C(N4C(C#N)CCC4)=O	84
+C1CN(CCN1c2nc(ccc2)C)C(C(N)CCCCNC(C=C)=O)=O	84
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2sc3cc(C(=O)O)ccc3n2)Cc4cccs4)=O	1
+C1CC(CCC1)CC(N)C(NC2C(O)CN(C(C)CC2)S(=O)(=O)c3ncccc3)=O	84
+CC(C)(C)OC(NC(C(NC1C(O)CN(CCC)C(CC1)C)=O)CC2CCCCC2)=O	61
+CC(C)(C)OC(NC(C(=O)NC1CCC(C)N(S(=O)(=O)c2ncccc2)CC1O)CC3CCCCC3)=O	2043
+CC(C)(C)OC(NC(C(=O)NC1CCC(C)NCC1O)CC2CCCCC2)=O	62
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)-c2cc(Cl)ccc2)c3n(nnn3)CCC#N	4199
+c1(cc(CCNC(=O)C(C(C)CC)N)ccc1OCc2cccc3ccccc23)OC	84
+c1cc(ccc1)CNC(=O)C(N)CO	84
+CC(C)(C)OC(=O)NC(COC)C(=O)NCc1ccccc1	1541
+n1c(C#Cc2cscn2)c3ccccc3cc1NC(C(C)N)=O	84
+CC(C)(C)OC(NC(C(=O)Nc1cc2ccccc2c(C#Cc3ncsc3)n1)C)=O	7527
+CC(C)(C)OC(NC(C(=O)N1C(C(=O)OC)CC(O)C1)C(C)CC(CCC=C)C)=O	478
+CC(C)(C)OC(NC(C(N1CC2CCCN2CC1c3ccn(Cc4ccc(cc4)F)n3)=O)C5CCCCC5)=O	10
+CC(C)(C)OC(NC(CC1CCCCC1)C(=O)Nc2sccn2)=O	373
+CC(C)(C)OC(NC(CC1CCCC1)C(=O)O)=O	1101
+CC(C)(C)OC(=O)NC(CO)CC=C	21
+CC(C)(C)OC(NC(C(=O)N(C)OC)CCC)=O	164
+CC(C)(C)OC(=O)NC(C(=O)O)COc1ccc(cc1[N+]([O-])=O)F	57
+CC(C)(C)OC(=O)NC(Cc1cc(C)cc(c1)C)C(=O)NCC#N	9
+CC(C)(C)OC(NC(C(=O)OC)C1CCC(CC1)N2C(=O)c3cccnc3C2)=O	7528
+CC(C)(C)OC(=O)NC(C(=O)OC)C1CCC(CC1)NC(=O)OCc2ccccc2	101
+C(C(=O)OC)(N)CCCc1[nH]cnc1	689
+CC(C)(C)OC(=O)NC(C(=O)O)Cc1cc(F)c(Cl)cc1	4
+CC(C)(C)OC(NC(C(=O)OC)Cc1ccc(cc1)OC(C)C)=O	313
+CC(C)(C)OC(=O)NC(C(OC)=O)Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC	22
+CC(C)(C)OC(=O)NC(C(=O)OC)Cc1ccc(cc1)Oc2ccc(cc2)Cl	304
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OC(C)C)C(=O)O	4
+CC(C)(C)OC(NC(C(=O)OC)Cc1ncc(CCCc2nc3NCCCc3cc2)cc1)=O	2826
+c12c(CCCN1)ccc(CCCc3cnc(cc3)CC(C(=O)OC)N)n2	689
+CC(C)(C)OC(NC(C(=O)OC1CCCC1)CCOc2cccc(c2)[N+]([O-])=O)=O	20
+CC(C)(C)OC(=O)NC(CC(C(C)C)Cc1ccc2c(c(OCCOC)ccc2)c1)CO	44
+CC(C)(C)OC(=O)NC(C(OCc1ccccc1)=O)CCC(=O)Nc2cc(c(cc2N)C)C	33
+CC(C)(C)OC(=O)NC(C(OCc1ccccc1)=O)CCC(=O)Nc2c(N)cc(c(Cl)c2)Cl	33
+CC(C)(C)OC(NC(CCc1nc2c(cc(C)c(c2)C)n1-c3ccc(cc3)C)C(=O)OCc4ccccc4)=O	2846
+CC(C)(C(N)CN1C(=O)c2ccccc2C1=O)c3ccccc3	12
+CC(C)(C)OC(NC(c1[nH]c2c(n1)ccc(C(C)(C)C)c2)C(C)C(N)=O)=O	83
+CC(C)(C)OC(NC(C(C)C(=O)O)c1[nH]c2ccc(cc2n1)C(C)(C)C)=O	4
+CC(C)(C)OC(NC(C(C)C)C(O)CC(=O)OC)=O	770
+CC(C)C(N)C(C(=O)NC1CCCCNC1=O)O	12
+CC(C)(C)[Si](C)(C)OC(C(C(C)C)NC(=O)OC(C)(C)C)CC(=O)OC	19
+CC(C)(C)OC(=O)NC1C(C)CC(CCC=CC2C(NC(C3N(CC(O)C3)C1=O)=O)(C(NS(=O)(=O)C4CC4)=O)C2)C	2463
+CC(C)(C)OC(NC(C(C)OCc1ccccc1)C(O)=O)=O	149
+CC(C)(C)OC(NC(C(C)OCc1ccccc1)C(OCc2ccccc2)=O)=O	283
+c1ccccc1COC(C(N)C(C)OCc2ccccc2)=O	689
+CC(C)(C)OC(=O)NC(C(N=[N+]=[N-])C)CC1CCCCC1	298
+CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C)C2CCC(CC2)N(C)C(=O)C)=O	10
+CC(C)(C)[Si](C)(C)OC(C(Cc1ccccc1)NC(=O)OC(C)(C)C)CC(C(O)=O)Cc2cccc(c2)F	19
+C1C(CN1C(C(C(C)CC)NC)=O)O	352
+CC(C)(C)OC(=O)NC(C(C)CC)CN1CC(C1)O	15
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C2OC2	2080
+CC(C)(C)OC(NC(C(CN(Cc1cc(ccc1)C(C)C)C(OCc2ccccc2)=O)O)Cc3cc(ccc3)CC=C)=O	66
+CC(C)(C)OC(=O)NC(C(C)C)C(=O)N(CC(=O)O)CC1CCCCC1	4
+CC(C)(C)OC(=O)NC(C(N(c1ccc(cc1)OC)C)=O)Cc2cccc(c2)C=C	2847
+CC(C)(C)OC(=O)NC(CN)C	15
+CC(C)(C)OC(NC(C)C#N)=O	143
+C1CCCCC1C(N)C(N2CC3N(CCC3)CC2c4nn(cc4)Cc5ccc(cc5)F)=O	84
+CC(C)C(N)C(=O)N1CCC1	84
+c1cc(ccc1OC)CC(C(=O)NC(CC2=CCCC2)C(=O)C3(CO3)C)NC(=O)C(CC#N)N	84
+C1CC(CCC1)CC(C(NC2C(O)CN(CCC)C(CC2)C)=O)N	84
+CC(C)CC(C(NC1CCCN(CC1O)C(=O)OCc2ccccc2)=O)N	84
+CC(C)(C)OC(NC(C(Nc1cc2ccccc2c(n1)C#C[Si](C)(C)C)=O)C)=O	961
+CC(C)(C)OC(NC(C(=O)Nc1nc(C#C)c2c(cccc2)c1)C)=O	75
+CC(C)(C)OC(=O)NC(C(OC)=O)C(C)C	325
+CC(C)(C)OC(=O)NC(C(C)C)C(=O)N1CCCC1Cc2c(CCC(OCC)=O)oc3c2cccc3	10
+CC(C)(C)OC(=O)NC(C(NCCc1cc(OC)c(OCc2ccccc2)cc1)=O)C(C)C	9
+CC(C)(C)OC(=O)NC(C(C)C)C(=O)N(C(CC(C)C)C(NC(C(Cc1ccccc1)=O)C)=O)C	348
+CC(C)(C)OC(=O)NC(C(=O)F)C(C)C	7529
+CC(C)(C)OC(NC(C(NC(C(=O)NC(CC=1CCCC=1)C(=O)C2(CO2)C)Cc3ccc(cc3)OC)=O)CC#N)=O	207
+CC(C)(C)OC(NC(CC(C)C)C(NC(C(=O)OC)CC(C)C)=O)=O	188
+CC(C)(C)OC(=O)NC(C(=O)NC(C(=O)OC)Cc1c2ccccc2[nH]c1)CC(C)C	188
+CC(C)(C)OC(NC(C(Nc1ccc(cc1)CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O)=O)CC(C)C)=O	33
+CC(C)(C)OC(=O)NC(C(=O)OC)CC(CCOCC=C)C	325
+CC(C)(C)OC(NC(C(NCC(OCC)=O)=O)CCl)=O	188
+CC(C)(C)OC(NC(CO)COC)=O	21
+CC(C)(C)OC(NC(Cc1c(C)cc(cc1C)O)C(=O)N(C(C)C)C(C)c2nc(-c3ccccc3)c[nH]2)=O	10
+CC(C)(C)OC(NC(c1nc2c(cccc2)[nH]1)Cc3ccc(cc3C)OC)=O	442
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC)CO	21
+CC(C)(C)OC(NC(C(O)=O)Cc1ccc(cc1)Oc2c(CCC(=O)OC)cccc2)=O	159
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2c(CCC(=O)OC)cccc2)C(N(C)C)=O)=O	10
+CC(C)(C)OC(=O)NC(C(N)=O)Cc1ccc(cc1)S(=O)(=O)c2ccccc2	83
+c1cc(ccc1)CC(C(O)C(O)=O)N	12
+OC(C(C(=O)NCC)N)C	84
+CC(C)(C)[Si](C)(C)OC(CC(C(O)=O)Cc1ccc(cc1)OC)C(Cc2ccccc2)NC(=O)OC(C)(C)C	19
+CC(C)(C)OC(=O)NC(C1CO1)Cc2cc(F)cc(F)c2	2080
+c1(cc(cc(F)c1)CC(C(O)CNCc2cc(ccc2)OC)N)F	12
+CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)CCCCN(CC(CCl)O)C(OCc1ccccc1)=O	66
+CC(C)(C)OC(=O)NC(C)(C)c1sc(c(-c2c(c(ccc2)NC(OCC=C)=O)F)n1)-c3nc(Cl)ncc3	873
+CC(C)(C)OC(NC(C)(C)C(NC(=O)c1ccc2cc(C#CC3C(C3)CO)ccc2c1)C(=O)OC)=O	259
+CC(C)(C)OC(=O)NC(C)(C)C#N	143
+CC(C)(C)OC(NC(C)(C)C(=S)N)=O	199
+CC(C)(C(NC(=O)c1cc2ccc(cc2cc1)C#CC3C(C3)CO)C(OC)=O)N	12
+CC(C)(C)OC(NC(C)(C)C(N)=O)=O	1360
+CC(C)(C)OC(=O)NC(C)(C)C(=O)N(OC)C	164
+CC(C)(C)OC(NC(C)(C)C(Nc1cccc(NS(=O)(=O)c2ccc(-c3ccc(C)o3)c(c2)F)c1)=O)=O	33
+CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1cnc(nc1)Oc2cccc3OCC(C)(C)c23	1681
+CC(C)(C)OC(NC(C)(C)CNc1c(ccc(c1)F)Cl)=O	291
+CC(C)(C)OC(=O)NC(C)(C)CNCC(=O)OC	1315
+CC(C)(C)OC(=O)NC(C)(C)CNc1c(C)cccc1	291
+CC(C)(C)OC(NC(C)(C)CC(NC1C(=O)Nc2c(c3ccccc3cc2)CC1)=O)=O	207
+CC(C)(C)OC(N1C(C)(C)CN(C(=O)C1)c2c(Cl)ccc(F)c2)=O	7530
+CC(C)(C)OC(NC(C)(C)Cn1c(nc2cnc3ccc(OCc4ccccc4)cc3c12)COCC)=O	546
+CC(C)(C)OC(NC(C)(C)CNc1c(cnc2ccc(OCc3ccccc3)cc12)N)=O	13
+CC(C)(C)OC(NC(C)(C)C=O)=O	24
+CC(C)(C)OC(NC(C)(C)COc1ccc(cc1)C=O)=O	1295
+CC(C)(C)OC(NC(C)(C)Cc1c2c(c(O)ccc2)[nH]c1)=O	321
+CC(C)(C)OC(NC(C)(C)Cc1c2cccc(c2[nH]c1)Oc3c(cccn3)C#N)=O	7531
+CC(C)(Cc1cc(C(=O)OC)ccc1)N	12
+c1ccccc1COc2ccc3c(c2)c4c(nc(COCC)n4CC(C)(C)N)cn3	12
+CC(C)(C)OC(=O)NC(C=O)(C)c1cc(Br)ccc1	24
+CC(C)(C)OC(NC(C)C(N)=NO)=O	609
+CC(C)C(C(=O)N1C(Cc2c(CCC(OCC)=O)oc3c2cccc3)CCC1)NC(C(N)C)=O	84
+CC(C)(C)OC(NC(C)C(=O)NC(C(=O)N1C(Cc2c(CCC(OCC)=O)oc3c2cccc3)CCC1)C(C)C)=O	207
+CC(C)(C)OC(=O)NC(C(Nc1cnc(nc1)Oc2cccc(C(C)C)c2)=O)C	1681
+CC(C)(C)OC(NC(C(N)=O)C)=O	83
+CC(C)(C)OC(=O)NC(c1onc(n1)C)C	1166
+CC(C)(C)OC(=O)NC(C1=Nc2c(c(ccc2)Cl)C(N1c3cc(C#N)ccc3)=O)C	7532
+CC(C)(C)OC(NC(C(Nc1cc2c(cccc2)c(Br)n1)=O)C)=O	142
+CC(C)(C)OC(=O)NC(C)C(=O)Nc1cc(Cl)cc(C#Cc2ccccc2)n1	142
+CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(cc1)Oc2cc3c(COC3)cc2)C	33
+CC(C)(C)OC(=O)NC(C)C(NC(Cc1ccc(cc1)OC)C(=O)NC(CC2=CCCC2)C(=O)C3(CO3)C)=O	207
+CC(C)(C)OC(NC(C(NCc1nc(c2c(cccc2)n1)N(c3ccc(cc3)OC)C)=O)C)=O	9
+CC(C)(C)OC(NC(C)C(Nc1cccc(Cl)c1C(Nc2ccccc2)=O)=O)=O	33
+CC(C)(C)OC(=O)NC(C(c1ccc(cc1)CC)=O)C	586
+CC(C)(C)OC(NC(C)C(=N)NOC(=O)C)=O	7533
+CC(C)(C)OC(NC(C)C=1N(C(c2c(cccc2N=1)Cl)=O)c3ccccc3)=O	2796
+c1ccccc1N2C(C(C)N)=Nn3c(c(cc3)C)C2=O	12
+CC(C)(C)OC(=O)NC(CCCOc1c(-n2nc(nc2)C)ccc(c1)[N+]([O-])=O)C	8
+CC(C)(C)OC(NC(C)COC1CCN(CC1)c2nc3c(cc(O)cc3)o2)=O	2600
+c1cc(ccc1-c2oc3c(cnc(OCC(C)NC(C)=O)c3)n2)OCCC4CC4(F)F	7534
+CC(C)(C)OC(NC(C)COc1cc2oc(nc2cn1)-c3ccc(cc3)O)=O	16
+CC(C)(C)OC(NC(C)COc1cc2oc(-c3ccc(cc3)OCCC4CC4(F)F)nc2cn1)=O	262
+CC(C)(C)OC(NC(C)COc1cc2oc(-c3ccc(cc3)OCc4ccccc4)nc2cn1)=O	7535
+CC(C)(C)OC(NC(C)c1c(OC)c(c(C)c(c1)Cl)-c2cnc(cc2)C(=O)O)=O	1696
+CC(C)(C)OC(NC(C)c1c(c(-c2cnc(C(=O)N(C)C)cc2)c(C)c(c1)Cl)OC)=O	147
+CC(C)(C)OC(NC(c1c(c(c2c(n1)ccc(c2)F)C(NC(C)C)=O)-c3ccccc3)C)=O	14
+c1cc2nc(C(C)N)c(c(-c3nnc(o3)C)c2cc1F)-c4ncccc4	12
+FC(F)(F)c1cc2c(cc1)nc(-c3cc(on3)C(C)N)[nH]2	12
+CC(C)(C)OC(NC(C)c1nc2cccnc2c(C(NC)=O)c1-c3ccccc3)=O	56
+c1cc2nc(C(C)N)c(c(-c3nc(C)no3)c2cc1F)-c4ncccc4	12
+CC(C)(C)OC(=O)NC(C)c1c(-c2ncccc2)c(C(=O)NNC(C)=O)c3cc(ccc3n1)F	2524
+c1ccccc1-c2c(c3c(nc2C(C)N)cccn3)C(NC)=O	12
+CC(C)(C)OC(NC(c1onc(C(O)=O)c1)C)=O	6
+C1CC1N2C(c3c(cccc3Cl)N=C2C(N)C)=O	12
+CC(C)(C)OC(=O)NC(C1CCN(C(C(=O)N)C1)C(=O)OCc2ccccc2)CC	1827
+CC(C)(C)OC(=O)NC(C1CC(Cc2ccc(OC)cc2OC)C(=O)O1)Cc3ccccc3	2494
+CC(C)(C)OC(=O)NC(C1OC(C(Cc2ccc(cc2)OC)C1)=O)Cc3ccccc3	4121
+CC(C)(C)OC(NC(C(=O)OC)C1CCC(CC1)N)=O	18
+CC(C)(C)OC(NC(C1CCC(CC1)N=[N+]=[N-])C(=O)OC)=O	298
+C1CC(CCC1)C(N)C(=O)N2C(CCC2)c3cc(ncc3)-n4cnc5ccccc45	84
+C1COCCC1C(N)C(=O)N2C(Cc3cccnc23)C(=O)OCC	84
+CC(C)(C)OC(=O)NC(C1=C(c2cc(ccc2)F)C(N3C(SC=C3C)=N1)=O)C	1100
+CC(C)(C)OC(NC(Cc1ccccc1)(C)C=NO)=O	410
+CC(C)(C)OC(=O)NC(C1CO1)CC(Cc2ccc3c(c(OCCOC)ccc3)c2)C(C)C	7536
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC)C=NO	410
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2ccc(cc2)Cl)CNO)=O	7537
+CC(C)(C)OC(=O)NC(COc1c(cc(N)cc1)-c2n(C)ncc2)C	8
+c1ccccc1C(N)CC#C	12
+CC(C)(C)OC(NC(CCN)C)=O	51
+CC(C)(C)OC(NC(CC(=O)N(OC)C)C1CCCCC1)=O	164
+CC(C)(C)OC(=O)NC(c1cccc(c1Cl)Cl)CCO	21
+CC(C)(C)OC(NC(CC(O)=O)Cc1c(F)ccc(c1)F)=O	3
+CC(C)(C)OC(=O)NC(C(=O)C(COS(=O)(=O)c1c(cc(cc1C)OCC(OCc2ccccc2)=O)C)(C)O)CC(C)C	1226
+CC(C)(C)OC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)CC(C)C	4
+CC(C)(C)OC(=O)NC(CC#N)c1ccc(cc1)-c2ccccc2	143
+CC(C)(C)OC(=O)NC(Cc1c(F)cccc1)CC(=O)ON2C(CCC2=O)=O	884
+CC(C)(C)OC(=O)NC(CC(O)=O)c1ccccc1Cl	4
+CC(C)(C)OC(=O)NC(C)(C(Nc1cnc(nc1)Oc2c3C4(CC4)CCOc3ccc2)=O)CC	1681
+CC(C)(C)OC(=O)NC(C)(C(=O)Nc1ccc(nc1)Oc2cccc3OCC(C)Cc23)CC	469
+CC(C)(C)OC(=O)NC(CCc1ccc(cc1)OCCCCc2ccccc2)(COC(=O)C)CC	116
+CC(C)(C)OC(NC(CC)(COC(C)=O)CCc1ccc(cc1)O)=O	16
+FC(F)(F)c1cccc2c1nc(c(C(Nc3nccs3)=O)c2O)C(CC)NC(=O)OC(C)(C)C	7538
+CC(C)(C)OC(NC(CC)C(O)c1nc2c(o1)cccn2)=O	7539
+CC(C)(C)OC(=O)NC(CC)COS(=O)(=O)C	7
+CC(C)(C)OC(NC(CC1CCCC1)C(=O)N(C)OC)=O	164
+C1CCCCC1CC(N)C(Nc2nccs2)=O	84
+CC(C)(C)OC(NC(CC1CCCCC1)C(NC(OCc2ccccc2)=O)C)=O	101
+CC(C)(C)OC(NC(C(C)OS(=O)(=O)C)CC1CCCCC1)=O	7
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	101
+CC(C)(C)OC(NC(CC1CCCOC1)CN)=O	18
+CC(C)(C)OC(NC(CC1CCCOC1)CN=[N+]=[N-])=O	254
+CC(C)(C)OC(NC(CC1CCCOC1)COS(=O)(=O)c2ccc(cc2)C)=O	36
+CC(C)(C)OC(=O)C(CCCO)NC(=O)OC(C)(C)C	21
+CC(C)(C)OC(=O)NC(CCC(OC)=O)CO	21
+CC(C)(C)OC(NC(CSc1ccc(cc1)Cc2ccccc2)CCC(=O)OC3CCCCC3)=O	636
+CC(C)(C)OC(=O)NC(CCC)(C)CNC(=O)c1c(C)nn2c(cc(cc12)C)OCc3c(F)cccc3Cl	597
+CC(C)(C)OC(=O)NC(C)(CNC(=O)c1c(C)nn2c(OCc3c(F)cccc3F)cccc12)CCC	597
+c1ccccc1C(c2ccccc2)C(NC(OC)=O)C(NC(C)CCCC(C(OCC)=O)NC(=O)OC(C)(C)C)=O	1280
+CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)CCCCN(Cc1ccccc1)CC(O)CCl	170
+C(N)(CCCN=C(N[N+](=O)[O-])N)C(=O)O	7540
+CC(C)(C)OC(NCCNC(CC(CCCNC(OCc1ccccc1)=O)NC(=O)OC(C)(C)C)=O)=O	9
+CC(C)(C)OC(NC(CCCc1ccccc1CO)Cc2ccccc2)=O	88
+CC(C)(C)OC(NC(CCNCC(C)C)C)=O	110
+C1C(CN1CCC(N)COC)Oc2ccc(cc2)Cl	12
+CC(C)(C)OC(=O)NCCC(CO)NC(OC(C)(C)C)=O	21
+CC(C)(C)OC(NC(CC=O)(c1c(F)cc(c(Br)c1)F)C)=O	24
+CC(C)(C)OC(NC(CCOC)(CCOC)CN)=O	51
+CC(C)(C)OC(=O)NC(CCOC)(CCOC)CNC(OCC1c2ccccc2-c3ccccc13)=O	2834
+CC(C)(C)OC(=O)NC(CNCc1cc(Cl)ccc1)CCS(=O)(=O)C	110
+CC(C)(C)OC(=O)NC(CCSCCCOS(=O)(=O)c1ccc(cc1)C)C(OC(C)(C)C)=O	36
+CC(C)(C)OC(=O)NC(CCC(=O)O)(CCc1ccc(cc1)OCCCCCCC)C	783
+c1ccccc1CCC(C(OCC=C)=O)N	689
+CC(C)(C)OC(=O)NC(CNC(=O)CNc1sc(C=O)cn1)C(=O)OC	9
+CC(C)(C)OC(NC(CNC(=O)C(NC(OCc1ccccc1)=O)C(C)C)C(C)C)=O	9
+CC(C)(C)OC(NC(CNc1nc(ncc1)-c2cc(Br)ccc2O)CC)=O	40
+CC(C)(C)OC(=O)NC(CCNC(=O)OC(C)(C)C)CN	18
+c1ccccc1COC(NC(C(C)C)C(NCC(C(C)C)N)=O)=O	12
+CC(C)(C)OC(NC(CNC(=O)C1CC(CN1)O)CCCCNC(=O)OC(C)(C)C)=O	679
+C[Si](C)(C)CCOC(N(CC(NC(OC(C)(C)C)=O)CC1(CCCCC1)F)C)=O	613
+c1c(cc(-c2nccc(NCC(CC)N)n2)c(c1)O)Br	12
+OCC(CO)(N)c1oc2c(cc(cc2)-c3noc(n3)-c4cc(Cl)c(cc4)OCCC)c1	12
+CC(C)(C)OC(=O)NC(CO)CNCCN	15
+CC(C)(C)OC(NC(C=O)C(C)C)=O	24
+CC(C)(C)OC(=O)NC(COCc1ccccc1)C(C)C	149
+CC(C)(C)OC(=O)NC(C)Cn1c2ncnc(N)c2c(I)n1	7541
+CC(C)(C)OC(=O)NC(COS(=O)(=O)C)C	7
+CC(C)(C)OC(NC(COc1cc2OC(c3c(-c2cc1)ccnc3NC(C)=O)C)CC(C)C)=O	556
+CC(C)(C)OC(=O)NC(COS(=O)(=O)C)CC(C)C	7
+CC(C)(C)OC(N1C(C)(C)OCC1CC(CC=C)CO)=O	2797
+CC(C)(C)OC(NC(COS(=O)(=O)C)CC1(CCCCC1)F)=O	7
+CC(C)(C)OC(NC(CC=C(F)F)COc1ccc2-c3ccnc(C)c3C(=O)N(C)c2c1)=O	556
+CC(C)(C)OC(=O)NC(CCc1ccc(cc1)Br)C=O	24
+CC(C)(C)OC(=O)NC(COC)CN=[N+]=[N-]	600
+CC(C)(C)OC(=O)NC(COS(=O)(=O)c1ccc(cc1)C)Cc2ccccc2	36
+CC(C)(C)OC(NC(COC(F)F)C(=O)NCc1ccc(cc1)F)=O	9
+CC(C)(C)OC(NC(COC)CNc1cc(c(C(OC)=O)c(Nc2cc(ccc2)C)n1)C#N)=O	70
+CC(C)(C)OC(=O)NC(C(=O)NC(C(NC(C(=O)OC)C(C)C)=O)C(C)C)COCC=C	207
+CC(C)(C)OC(NC(CNC)CC1(CCCCC1)F)=O	285
+CC(C)(C)[Si](C)(C)OCC(N(C)C(OC(C)(C)C)=O)CC=C	397
+CC(C)CC(N)COc1cc2OC(c3c(-c2cc1)ccnc3NC(C)=O)C	12
+C1CC(CCC1)OC(=O)CCC(CSc2ccc(cc2)Cc3ccccc3)N	12
+C1CC(CCC1)CC(NC(=O)C(Cc2c[nH]cn2)N)C(O)CCC(C)C	84
+CC(C)(C)OC(=O)NC(Cc1c(F)ccs1)C(NC2(CC2c3ccccc3)C#N)=O	143
+O=S(=O)(C)Oc1ccc2[nH]cc(c2c1)CC(C(N3C(CCC3)C#N)=O)N	84
+CC(C)(C)OC(NC(Cc1c2cc(OS(=O)(=O)C)ccc2[nH]c1)C(=O)N3CCCC3C#N)=O	143
+CC(C)CC(C(N(C)C(CCCC)C(N)=O)=O)NC(C(Cc1c2ccccc2[nH]c1)N)=O	84
+CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N	83
+CC(C)(C)OC(NC(Cc1c[nH]c2c1cccc2)C(OCc3ccccc3)=O)=O	283
+CC(C)(C)OC(=O)NC(C(OCc1ccccc1)=O)Cc2c3ccccc3n(c2)CC(OCC)=O	256
+CC(C)(C)OC(NC(Cc1c2cc(OS(=O)(=O)C)ccc2[nH]c1)C(=O)N3CCCC3C(N)=O)=O	444
+CC(C)(C)OC(NC(C(=O)N1C(CCC1)C(=O)N)Cc2c[nH]c3ccc(cc23)Oc4ccc(cc4)[N+](=O)[O-])=O	46
+CC(C)(C)OC(=O)NC(CO)Cc1ccc(c(Cl)c1)O	95
+CC(C)(C)Cc1nc(C2(CC2)NCC(O)C(Cc3cc(F)cc(c3)F)N)cs1	12
+CC(C)(C)OC(NC(c1ncc(N)cc1Br)Cc2cc(F)cc(F)c2)=O	7542
+CC(C)(C)OC(=O)NC(C(N(c1ccc(cc1)OC)C)=O)Cc2cc(ccc2)C=O	1295
+CC(C)(C)OC(NC(C(OCc1ccccc1)=O)Cc2cc(OC)c(O)cc2)=O	283
+CC(C)(C)OC(NC(Cc1ccc(cc1)-c2cn3cccc(C(O)C)c3n2)CCO)=O	440
+c1cc(ccc1CC(N)C(N2CCN(CC2)c3ccccc3CN(C)C)=O)Cl	84
+CC(C)(C)OC(NC(Cc1ccc(cc1)Cl)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(NC(Cc1ccc(cc1)Cl)CCn2ncc(-c3cc4c(cncc4)cc3)c2)=O	1593
+c1cc(ccc1Cl)CC(N)CCn2ncc(-c3cc4c(cncc4)cc3)c2	12
+C1CC(CCC1)C2(CCN(CC2)C(C(Cc3ccc(cc3)OC)N)=O)C(=O)CCC	84
+c1cc(ccc1OC)CC(C(=O)NC(CC=2CCCC=2)C(C3(CO3)C)=O)N	84
+CC(C)(C)OC(NC(Cc1ccc(cc1)OCCN=[N+]=[N-])C(=O)OC)=O	310
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCCN=[N+]=[N-])C(=O)O	4
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2c(cccc2)CCC(=O)O)C(N(C)C)=O)=O	4
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2c(cccc2)CCC(=O)NO)C(N(C)C)=O)=O	1697
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2c(cccc2)CCC(=O)NOCc3ccccc3)C(N(C)C)=O)=O	293
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)Oc2ccc(cc2)C=O)C(=O)N(C)C	10
+c1(cccc(Cl)c1-c2ccc3c(ccc(CC(C(=O)OC)N)c3)n2)Cl	689
+CC(C)(C)OC(=O)NC(Cc1ccccc1)(c2oc(nc2)-c3cc(Cl)nc(c3)N(S(=O)(=O)C)C)C	7543
+CC(C)(C)OC(NC(C=O)(C)Cc1ccccc1)=O	24
+c1cc(ccc1)CC(C(NC(CCCNC(N[N+]([O-])=O)=N)C(=O)O)=O)N	84
+CC(C)(C)OC(NC(CO)Cc1ccccc1)=O	21
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N(C)C	10
+CC(C)(C)OC(=O)NC(C(=O)N)Cc1ccccc1	83
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N(C)OC	164
+CC(C)(C)OC(NC(CCCc1c(COC)cccc1)Cc2ccccc2)=O	49
+CC(C)(C)OC(=O)NC(Cc1cnccc1)C(=O)N	83
+CC(C)(C)OC(NC(Cc1cnccc1)CN2CCC(CC2)C(c3ccc(cc3)F)=O)=O	28
+c1cc(ccc1F)C(C2CCN(CC2)CC(Cc3cccnc3)N)=O	12
+CC(C)(C)OC(NC(C)c1nc2c(cc(F)cc2)c(-c3nc(C)no3)c1-c4ccccn4)=O	7544
+c1(cc(ccc1)C#CCC(N)c2cccc(C)c2C)C	12
+CC(C)(C)OC(NC(C)c1c(OC)c(-c2ccc(C#N)nc2)c(C)c(c1)Cl)=O	391
+CC(C)(C)OC(NC(c1ccc(c(Cl)c1)Cl)CCC#N)=O	1409
+[N-]=[N+]=NCC(c1cc(ccc1)Br)N	12
+c1c(OC)ccc2c(ccnc12)OCc3nnc4n3nc(-c5cc(Cl)c(cc5)C(C)N)cc4	12
+CC(C)(C)OC(NC(CC(N)=O)c1ccc(cc1)-c2ccccc2)=O	83
+CC(C)(C)OC(=O)NC(CCNS(=O)(=O)C)c1ccc(cc1)Cl	111
+c1cc(ccc1OCC(C)CCC)C(N)CN=[N+]=[N-]	12
+c1ccccc1C(C(NC2CCCC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C2)=O)N	84
+CC(C)(C)OC(NC(c1ccccc1)CCO)=O	21
+CC(C)(C)OC(NC(CC#C)c1ccccc1)=O	7545
+CC(C)(C)OC(NC(c1ccccc1)CC=O)=O	24
+CC(C)(C)OC(NC1c2ccnc(-c3n(ncc3NC(C(C=CC1)C)=O)C(F)F)c2)=O	4123
+CC(C)(C)OC(NC(c1cc(-c2c(cnn2C(F)F)N)ncc1)CC=C)=O	209
+CC(C)(C)OC(NC(C)c1c(c(c2c(ccc(F)c2)n1)C(=O)O)-c3ccccc3)=O	1
+c1(c(C)cc(OC)cc1)CC(N)c2nc3c([nH]2)cccc3	12
+CC(C)(C)OC(=O)NC(c1n(Cc2ccccc2)cc(-c3cc(ccc3F)F)n1)C4CCOCC4	371
+c1c(cnc(C(C)N)c1F)F	12
+CC(C)(C)OC(NC(C)c1cc(no1)-c2[nH]c3c(ccc(c3)C(F)(F)F)n2)=O	4200
+CC(C)(C)OC(=O)N(C)Cc1c(cccc1Br)[N+]([O-])=O	7546
+CC(C)(C)OC(=O)NC1(CC#Cc2nc(ccn2)-c3ccc(cc3)C(F)(F)F)C(=O)N(CC1)C	1467
+CC(C)(C)OC(=O)NC1(C(=O)N(CC1)C)CC#Cc2nc(cc(n2)C)-c3ccc(cc3)C(F)(F)F	1467
+CC(C)(C)OC(NC1(C(OC)=O)CC1CC)=O	732
+CC(C)(C)[Si](C)(C)OC1C(NC(OC(C)(C)C)=O)(CCC1)C=O	59
+CC(C)(C)OC(=O)NC1(C(O)=O)C(CC)C1	4
+CC(C)(C)OC(=O)NC1(CC(C1)O)C2CC(N(Cc3ccccc3)C2)=O	118
+CC(C)(C)OC(NC1(CC(C1)OCc2ccccc2)C3CC(=O)N(Cc4ccccc4)C3)=O	4183
+CC(C)(C)OC(=O)NC1(CC1)C(=O)NCc2ccc(cc2)-n3c4c(c(Cl)c3-c5noc(n5)C)cccc4	9
+CC(C)(C)OC(NC1(CC1)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)NC1(CC1)CC(=O)O	1405
+CC(C)(C)OC(NC1(CC1)CCO)=O	118
+CC(C)(C)OC(NC1(CC1)CNc2cc(Nc3cccc(C(C)(C)C)n3)c(C(=O)N)nn2)=O	232
+CC(C)(C)c1cccc(Nc2cc(nnc2C(=O)N)NCC3(CC3)N)n1	12
+CC(C)(C)OC(=O)NC1(CC1)C2CCCCN2	4201
+CC(C)(C)OC(=O)NC1(C(C=C)C1)C(=O)NS(=O)(=O)C2(CC2)CCC	344
+CCOC(C1(N)C(C1)C=C)=O	689
+CC(C)(C)OC(NC1(CCC(Nc2c3cc(cn3ncc2C(=O)N)C(O)=O)C1(C)C)C)=O	6
+CC(C)(C)OC(NC1(CCC(Nc2c(C(=O)N)cnn3cc(cc23)C(NN)=O)C1(C)C)C)=O	1325
+CC(C)(C)OC(=O)NC1(CCN(CC1)C(OCC)=O)CCN	51
+c1cc(ccc1Cl)C(NC(C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)=O)CCO	84
+c1cc(ccc1Cl)C(CCNS(=O)(=O)C)NC(C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)=O	84
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(=O)NC(CC(OC)=O)c4ccc(cc4)Cl	9
+CC(C)(C)OC(NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(=O)NC(c4ccc(cc4)Cl)CCNS(=O)(=O)C)=O	9
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2ccc(S(=O)(=O)C)cn2)C	43
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2c([N+]([O-])=O)nccc2)C	2688
+CC(C)(C)OC(NC1(CCOCC1)CN)=O	51
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(C(=O)N)NC(=O)C3(CCOCC3)NC(OC(C)(C)C)=O	372
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3ccc4c(N(C(CO4)=O)C)c3)C(=O)N)=O	756
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3cc4c(OC(N4CCCOC)=O)cc3)C(=O)N)=O	756
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(Cc2ccc(cc2)-c3cc(C#N)ccc3)C(=O)N)=O	134
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3cc(F)c(cc3)F)C(=O)N)=O	134
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3cc(C#N)c(F)cc3)C(=O)N)=O	134
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(Cc2ccc(cc2)-c3cc(ccc3)OS(=O)(=O)C)C(=O)N)=O	134
+CC(C)(C)OC(NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc(C#N)ccc3)=O)=O	143
+C1COCCC1(N)C(NC(C#N)Cc2ccc(cc2)-c3cc(C#N)ccc3)=O	84
+CC(C)(C)OC(=O)NC1(CCCN(C1)c2c(cnc3c2CCC3)[N+]([O-])=O)C	264
+CC(C)(C)OC(NC(CO)(CO)c1oc2c(c1)cc(cc2)-c3noc(n3)-c4cc(Cl)c(cc4)OCCC)=O	1192
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)C2(O)C)=O	2799
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)C2=O)=O	86
+CC1(C)Cc2c(cc(NC(c3ccc(Br)cn3)=O)cc2)C4(NC(OC4)=N)C1	7547
+CC(C)(C)OC(NC=1CC(C(=O)N(CCC)CCC)=Cc2c(cc(cc2)-c3ccc(cc3)O)N=1)=O	11
+c1ccccc1C(=O)N2CC(C(=O)N(c3ccccc23)C)N	84
+c1ccccc1C2C(C(=O)N(c3ccccc3O2)CC#C)N	84
+c1c(cc2N(C(=O)C(COc2c1)N)C)F	84
+CC(C)(C)OC(NC1CN(c2ccc(C)cc2NC1=O)C3CCCCC3)=O	460
+CC(C)(C)OC(NC1C(N(Cc2ccccc2)c3c(N)cccc3C1)=O)=O	1126
+CC(C)(C)OC(NC1C(C)N(CCC1)c2nc(c(nc2)C(N)=O)Nc3ccc(cc3)C4CCN(CC4)C5CCCC5)=O	1198
+CC(C)(C)OC(NC1C(CC(C(N)=O)CC1)OC)=O	83
+CC(C)(C)OC(NC1CCCC1Nc2ncc(C(F)(F)F)nc2C)=O	4202
+CC(C)(C)OC(NC1C(CCCC1)CN)=O	51
+CC(C)(C)OC(=O)NC1CCCCC1CNc2c(F)cnc(n2)-c3c4cc(Cl)cnc4n(c3)S(=O)(=O)c5ccc(cc5)C	4126
+CC(C)(C)OC(=O)NC1C(CCCC1)CC#N	300
+CC(C)(C)OC(NC1CCCCC1CN=[N+]=[N-])=O	133
+CC(C)(C)OC(NC1COCCC1Nc2cc(Nc3ccc(c(n3)OC)C(C)C)c(C(=O)N)nn2)=O	232
+CC(C)(C)OC(NC1C(CN(CCOS(=O)(=O)C)CC1)OC)=O	7
+CC(C)(C)OC(=O)NC1C(OC)CN(CC1)CCN2C(=O)C=Nc3ccc(cc23)OC	7548
+CC(C)(C)OC(=O)NC1C(OC)CN(CC1)CCN2C(C=Cc3c2cc(cc3)C#N)=O	2848
+CC(C)(C)OC(=O)NC1C(OC)CN(CCN2C(C=Cc3ccc(cc23)Br)=O)CC1	2848
+CC(C)(C)OC(=O)NC1C(CN(C1)Cc2ccccc2)O	2118
+CC(C)(C)OC(NC1C(=O)N(c2c(C1)cccc2N(C(C)=O)CC)Cc3ccccc3)=O	192
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)C(N)CC1)Cc2cccnc2	84
+CC(C)(C)OC(NC1C(C)N(CCC1)c2nc(c(nc2)C#N)Nc3ccc(cc3)C4CCN(CC4)C5CCCC5)=O	1410
+CC(C)(C)OC(=O)NC1CCCCC1Nc2nnc(c(Nc3nc(C(C)(C)O)ccc3)c2)C(N)=O	232
+CC(C)(C)OC(=O)NC1C(Nc2cc(Nc3cc(C)cc(C)c3)c(nn2)C(N)=O)CCCC1	232
+CC(C)(C)OC(=O)NC1CCCCC1Nc2nnc(C(N)=O)c(Nc3cccc(n3)OCC)c2	232
+CC(C)(C)OC(=O)NC1C(CCCC1)Nc2cc(Nc3nc(cc(C)c3)C)c(nn2)C(N)=O	232
+CC(C)(C)OC(NC1CCCCC1Nc2ncc3c(c(C(Nc4ccc5c(n4)ccnc5)=O)cs3)n2)=O	798
+CC(C)(C)OC(NC1CCCCC1Nc2cc(C#N)c(c(n2)Nc3cc4c(cn[nH]4)cc3)C(=O)OC)=O	70
+CC(C)(C)OC(NC1CCCCC1Nc2c3c(ccc(C)c3)nc(Cl)n2)=O	40
+CC(C)(C)OC(=O)NC1C(Nc2nc(c(C(OC)=O)c(c2)C#N)-c3cnn(C)c3)CCCC1	70
+CC(C)(C)OC(NC1C(Nc2cnc(c(n2)Cl)C#N)CCCC1)=O	464
+CC(C)(C)OC(=O)NC1C(Nc2cnc(c(c2)Br)C#N)CS(=O)(=O)CC1	2849
+C1C(C)CCCCCCCC(C(=O)NC(C(NC1C(O)CC(C)C(NCCCC)=O)=O)C)N	84
+CC(C)(C)[Si](C)(C)OC1CCC(C(=O)NC1)NC(=O)OC(C)(C)C	19
+CC(C)(C)OC(=O)NC1C(CCCC1)Nc2cnc(c(Nc3cc(ccc3)-c4ncccn4)n2)C#N	1410
+FC(F)(F)COc1cc(CC2CSCC(NC(OC(C)(C)C)=O)C2O)cc(c1[N+]([O-])=O)F	57
+CC(C)(C)OC(=O)NC1CC(C(OCC)=O)CCC1OS(=O)(=O)C	7
+c1cc(ccc1)COC(=O)N2CCC(N)C(O)C2	12
+CC(C)(C)OC(NC1CC1c2cc(C(=O)Nc3cnn(CC)c3)ccc2)=O	1404
+C1CC1CN2C(=O)C(C(c3ccccc3)Oc4ccccc24)N	84
+C1CC(=O)Nc2c1c(Oc3ccc4OC5C(c4c3)C5N)ccn2	12
+CC(C)(C)OC(=O)NC1CC(CC1)CO	460
+CC(C)(C)OC(=O)NC1CC(C)CNC1	25
+CC(C)(C)OC(NC1CC(C1)CN)=O	18
+CC(C)(C)OC(=O)NC1CC(C1)COS(=O)(=O)C	7
+CC(C)(C)OC(=O)NC1CC(CC(c2c(cncc2)NC(=O)c3nc(-c4c(cc(cc4F)C=O)F)c(F)cc3)C1)C	245
+CC(C)(C)OC(=O)NC1CC(c2nc(C(F)(F)c3ccccc3)no2)CC1	4155
+CC(C)(C)OC(=O)NC1CC(CC1)c2nc(-c3ccccc3)no2	4203
+CC(C)(C)OC(=O)NC1CCC(Nc2nc3cc(OC)ccc3c(C)c2)C1	554
+CC(C)(C)OC(=O)NC1CC(Nc2c3c(n(cc3)S(=O)(=O)c4ccccc4)ncc2[N+]([O-])=O)CC1	2048
+CC(C)(C)OC(NC1CCC(C(CCC)C1)N2C(=O)C(Nc3c4c(ccc(Cl)c4)ncn3)CC2)=O	2801
+CC(C)(C)OC(NC1CCC(NC(=O)C(CCSC)NC(=O)OCc2ccccc2)C(CCC)C1)=O	9
+CC(C)(C)OC(NC1CC(CC1)N)=O	102
+CC(C)(C)OC(=O)NC1CCC(OS(=O)(=O)C)C1	7
+CC(C)(C)OC(=O)NC1CC(C(CC1)COS(=O)(=O)C)OC	7
+CC(C)(C)OC(NC1CC(CC(c2c(NC(=O)c3ccc(c(Br)n3)F)cncc2)C1)C)=O	510
+c1cc(ccc1C2C(C2)N)Br	12
+CC(C)(C)OC(NC1CC1c2ccc(cc2)OCc3c(F)cccc3)=O	22
+c1cc(ccc1C2CC2N)OC	12
+c1cc(ccc1C2CC2N)OCc3c(F)cccc3	12
+CC(C)(C)OC(NC1C(c2cccc(C(=O)O)c2)C1)=O	1
+CC(C)(C)OC(NC1CC2=CCC3C(CCC4(C3CCC4c5nnn(Cc6ccccc6)c5)C)C2(CC1)C)=O	642
+c1cc(ccc1)CON2C(=O)C(CC=CC2)N	84
+c12c(c(C3=CCC(CC3)NC)c[nH]1)nccc2	352
+CC(C)(C)OC(NC1C(CC(C(O)=O)CC1)OC)=O	4
+CC(C)(C)OC(=O)NC1CCC(C)N(S(=O)(=O)c2ncccc2)CC1O	2043
+CC(C)(C)OC(NC1CC(NC(OCc2ccccc2)=O)CC1)=O	7549
+CC(C)(C)OC(NC1CC(CC1)C(ON=C(C(F)(F)c2ccccc2)N)=O)=O	4075
+CC(C)(C)OC(NC1CCC(CC1)CC=O)=O	578
+CC(C)(C)OC(=O)NC1CCC(CC1)CNc2nc(NCc3c(I)cccc3)ncc2[N+](=O)[O-]	96
+C1CC(CCC1NC(c2cc(c(cc2)F)F)=O)N	12
+C1CC(CCC1N)NC(c2ccc(-c3cccc(c3)F)nc2)=O	12
+CC(C)(C)OC(NC1CCC(C(=O)OC)CC1OC)=O	76
+CC(C)(C)OC(=O)NC1CCC(N2CCC(NC(=O)OCc3ccccc3)C2=O)C(CCC)C1	7550
+c1cc(ccc1)CN2CC3CCC(NC)C3C2	352
+C1CCC(C(OC)=O)CC1N	12
+CC(C)(C)OC(=O)NC1C(CCC1)(F)C	1138
+CC(C)(C)OC(NC1CCCC1CO)=O	21
+CC(C)(C)OC(=O)NC1CCCC1C=O	24
+CC(C)(C)OC(NC1C(NC(C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)CCCCCCC1)=O)=O	460
+CC(C)(C)OC(NC1CCCC=CCCC(C)CC(NC(=O)C(C)NC1=O)C(CC(C)C(NCCCC)=O)O)=O	248
+CC(C)(C)OC(=O)NC1C(CCCC1)C(OC)=O	167
+C1CCCC(CN=[N+]=[N-])C1N	12
+CC(C)(C)OC(NC1C(CCCC1)Nc2nc(nc3ccc(C)cc23)NCc4ccc(cc4)OC)=O	798
+N#Cc1cc(nc(Nc2cc3c(c[nH]n3)cc2)c1C(=O)OC)NC4CCCCC4N	12
+c1sc2c(nc(nc2)NC3CCCCC3N)c1C(=O)Nc4ccc5c(ccnc5)n4	12
+CC(C)(C)OC(NC1CCCCNC1)=O	62
+CC(C)(C)OC(=O)NC1CCNCCC1	62
+CC(C)(C)OC(NC1CCCNC1C)=O	62
+CC(C)(C)OC(NC1CCCN(c2c(cncc2)N)C1)=O	13
+FC(F)(F)c1cc(cc(N)c1)Nc2nc(c3c(CCCC3)n2)N4CCCC(C4)NC(=O)OC(C)(C)C	55
+CC(C)(C)OC(=O)Nc1c(C(Nc2c(ccnc2)N3CC(NC(=O)OC(C)(C)C)CCC3)=O)c4c(o1)cc(cn4)CC	7551
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(c[nH]c3ncc2Cl)NC(CC)=O)C1	308
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(NC(=O)CCC)c[nH]c3ncc2Cl)C1	308
+CC(C)(C)OC(NC1CCCN(c2n(Cc3ccccc3Cl)c4c(c2C(=O)C)N(C(N(C4=O)C)=O)C)C1)=O	716
+CC(C)(C)OC(NC1CN(c2n(c3c(N(C(=O)N(C3=O)CC(=O)c4ccccc4O)C)n2)CC=C(C)C)CCC1)=O	4116
+CC(C)(C)OC(=O)NC1CCCN(c2nc(Nc3ccc(cc3)N(CC)CC)c(C(=O)N)cc2)C1	43
+CC(C)(C)OC(NC1CCCN(C1)c2c([N+]([O-])=O)cncc2)=O	264
+FC(F)(F)c1cc([N+](=O)[O-])c(N2CC(NC(=O)OC(C)(C)C)CCC2)cc1	34
+FC(F)(F)c1cnc2c(c(NC(c3nccnc3)=O)c[nH]2)c1N4CC(NC(=O)OC(C)(C)C)CCC4	1635
+CC(C)(C)OC(=O)NC1CN(CCC1)S(=O)(=O)c2cccc(c2C)Cl	92
+CC(C)(C)OC(NC1CCCN(C2C(O)Cc3ccc(cc23)S(=O)(=O)C)C1)=O	3959
+CC(C)(C)OC(=O)NC1CN(c2c3c(NC(c4cc(F)ccc4)=O)c[nH]c3ncc2Br)CCC1	1610
+CC(C)(C)OC(=O)NC1CN(c2c(cnc3c2c(c[nH]3)NC(c4nccnc4)=O)Br)CCC1	1610
+CC(C)(C)OC(NC1CCCN(c2c3c(ncc2Cl)[nH]cc3N)C1)=O	1610
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(NCCC3)ncc2[N+](=O)[O-])C1	4204
+CC(C)(C)OC(NC1CN(CCC1)C(c2ccc(c(c2)[N+](=O)[O-])NC)=O)=O	30
+CC(C)(C)OC(=O)NC1CN(c2c(cnc3CCCc23)[N+](=O)[O-])CCC1	264
+CC(C)(C)OC(NC1CN(CCC1)C(c2cc(c(c(c2)OC)NC)[N+](=O)[O-])=O)=O	30
+CC(C)(C)OC(=O)NC1CCCN(c2nc(Nc3ccc(cc3)C(N4CCOCC4)=O)c(C(=O)N)cc2)C1	43
+CC(C)(C)OC(=O)NC1CN(c2nc3c(cc2)ncnc3N)CCC1	286
+CC(C)(C)OC(NC1C(N(c2nc(Cl)c(nc2)C#N)CCC1)C)=O	317
+CC(C)(C)OC(NC1CCN(C(C(F)(F)F)c2ccc(nc2)NN)C1)=O	383
+CC(C)(C)OC(NC1CCN(C1)C(C(F)(F)F)c2cnc(cc2)NN=Cc3nc4c(cc3)cc(F)c(OCC)c4)=O	1698
+C1(OC)CN(CCC1N)C	12
+FC(F)(F)C(N1CCC(NC(OC(C)(C)C)=O)C1)c2cn3c(cc2)nnc3-c4nc5c(cc4)cc(F)c(OCC)c5	2149
+CCC(=O)N1CC(CC1)N	12
+CC(C)(C)OC(=O)N(C1CN(CC1)c2ccc(cc2)[N+]([O-])=O)C	397
+C1N(CCC1N)C2C(N=[N+]=[N-])CCCC2	12
+c1(N2CC(OC2=O)Cn3nncc3)ccc(N4CCC(N)C4)c(F)c1	12
+CC(C)(C)OC(NC1CCN(c2c(F)cc(N3C(=O)OC(CN=[N+]=[N-])C3)cc2)C1)=O	133
+CC(C)(C)OC(NC1CCN(c2c(cc(cc2)N3C(=O)OC(C3)COS(=O)(=O)C)F)C1)=O	7
+n1ccn2ccnc(N3CCC(N)C3)c12	12
+CC(C)(C)OC(=O)NC1CN(C(CC(C)C)C(=O)Nc2cc(c(cc2)-c3ocnc3)OC)CC1	2150
+CC(C)(C)OC(=O)NC1CCN(C1)c2ncccc2C(OC(C)C)=O	43
+CC(C)(C)OC(NC1CCN(C1)C(CC)=O)=O	58
+CC(C)(C)OC(NC1CN(c2c(cc(c(F)c2F)C(=O)OCC)F)CC1)=O	34
+C[Si](C)(C)CCOCn1c2c(c(ccn2)N3CCC(NC(OC(C)(C)C)=O)C3)c4cc(ncc14)C#N	1635
+FC(F)(F)c1ccnc(COCC(=O)N2CC(NC(OC(C)(C)C)=O)CC2)c1	10
+CC(C)(C)OC(=O)NC1CCN(C1)c2nc(-c3c(cccc3)O)nc4c2ccc(c4)C	54
+CC(C)(C)OC(NC1CN(c2nccn3cccc23)CC1)=O	7552
+CC(C)(C)OC(NC1CN(CC1)c2ccc(c(F)c2F)C(=O)OCC)=O	34
+CC(C)(C)OC(NC1CN(CC1)c2nc(nc3CCCc23)N)=O	54
+c1cc(ccc1)C(c2ccccc2)CC(N3CC(NC(OC(C)(C)C)=O)CC3)=O	10
+CC(C)(C)OC(NC1CCN(C1)c2ccc(cc2)[N+]([O-])=O)=O	34
+CC(C)(C)OC(NC1CCN(C1)c2ccc(cc2)S(=O)(=O)N(C)C)=O	34
+CC(C)(C)OC(NC1CN(CC1)c2cc(nc(N)n2)C=Cc3ccccc3)=O	54
+CC(C)(C)OC(NC1CCN(c2nccn3ccnc23)C1)=O	2072
+CC(C)(C)OC(NC1CN(CC1)c2nc3c(cc(cn3)Cl)nc2Cl)=O	317
+CC(C)(C)OC(=O)NC1CCOCC1CO	44
+CC(C)(C)OC(=O)N(C1c2c(cc(cc2)C#N)OCC1)C	397
+c1cc(ccc1)CC2c3cc(ccc3CCC2N)CNS(=O)(=O)CCC	12
+CC(C)(C)OC(NC1CCc2ccc(cc2C1Cc3ccccc3)CN)=O	107
+CC(C)(C)OC(NC1CCc2c(cc(cc2)CNS(=O)(=O)CCC)C1Cc3ccccc3)=O	111
+CC(C)(C)OC(=O)NC1C(N(c2c(ccc(C)c2)N(C1)C(=O)C3CCCCC3)CC(=O)c4ccccc4C)=O	4041
+CC(C)(C)OC(NC1CNCC(C1(O)C)C)=O	62
+C1CC1Cn2c(cc3cccnc23)-c4n(c5c(cc(cc5OC)C(N6CC(CCC6)N)=O)n4)C	12
+C1C(CN1C(=O)c2ccc(c(F)c2Nc3c(cc(cc3)I)F)F)N	12
+CC(C)(C)OC(NC1CN(C1)c2cc3c(nc2)n(S(=O)(=O)c4ccc(cc4)C)cc3I)=O	276
+CC(C)(C)OC(NC1CN(C1)c2cc3c(c[nH]c3nc2)I)=O	1361
+C1N(CC1N)c2ccccn2	12
+CC(C)(C)OC(NC1C(C(C2CC2)CN(c3c4CCCc4[n+]([O-])cc3[N+]([O-])=O)C1)O)=O	103
+CC(C)(C)OC(N(C)C1CCN(C(C2CC2)=O)C1)=O	397
+c1ccccc1C=Cc2nc(nc(N3CCC(C3)N)c2)N	12
+CC(C)(C)OC(NC1CN(c2ccc(cc2)C(=O)O)CC1)=O	1
+NC1CCN(c2c3c(nc(N)n2)CCC3)C1	12
+Clc1cnc2c(c1)n3c(c(n2)N4CCC(N)C4)nnc3	12
+CC(C)(C)OC(NC1CN(CC1)c2nc3c(cc(cn3)Cl)nc2NN)=O	1386
+CC(C)(C)OC(NC1CN(CC1)c2nc3c(cc(Cl)cn3)n4cnnc24)=O	2825
+CC(C)(C)OC(NC1CNCC1O[Si](C)(C)C(C)(C)C)=O	25
+C1CC1Cn2c(cc3c2nccc3)-c4n(c5c(n4)cc(cc5)C(N6CC(CCC6)N)=O)C	12
+CC(C)(C)OC(=O)NC1C(Nc2c(cc(C#N)c(Cl)n2)F)CCN(C(C)=O)C1	70
+CC(C)(C)OC(NC1CCCCNC1)=O	25
+NC1CCN(c2c3cccn3ccn2)C1	12
+CC(C)(C)OC(NC1CN(C1)c2ncccc2)=O	43
+CC(C)(C)OC(NC1CN(C1)C(=O)c2ccc(c(F)c2Nc3c(cc(cc3)I)F)F)=O	30
+CC(C)(C)OC(=O)NC1CN(c2c3c(ncc2[N+]([O-])=O)OCC3)CC(C)C1(C)O	4204
+CC(C)(C)OC(=O)NC1C(N(c2ccccc2NC1)C)=O	239
+CC(C)c1c(nc(cc1)Nc2cc(NC3C(N)COCC3)nnc2C(=O)N)OC	12
+CN(C)C(CCCOc1cc2c(cc1)CCC(N)C2)=O	12
+CC(C)(C)OC(NC1Cc2c(CC1)ccc(c2)OCCCC(O)=O)=O	3
+CC(C)(C)OC(NC1Cc2c(CC1)ccc(OCCCC(=O)N(C)C)c2)=O	10
+CC(C)(C)OC(NC1Cc2c(c([N+](=O)[O-])ccc2)NC1=O)=O	562
+CC(C)(C)OC(NC1C(=O)Nc2c(cccc2N)C1)=O	0
+CC(C)(C)OC(NC1Cc2c(CC1)ccc(c2)OCCCC(=O)OCC)=O	8
+O(c1ncc(cc1)C(=O)N)c2cc3c(CC(N)C3)cc2	12
+CC(C)(C)OC(=O)N(C)C1C(c2c(cccc2)C1)Cc3cc(Cl)c(cc3)Cl	397
+CC(C)(C)OC(=O)NC1c2cc(ccc2N(C(C1C)C3CC3)C(=O)C)Br	192
+CC(C)(C)OC(=O)NC1C(OC)Cc2ccccc12	76
+CC(C)(C)OC(=O)NC1c2cccc(c2CC1)-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3	529
+CC(C)(C)OC(=O)NC1CCCC(C(Nc2cnn(C(F)F)c2-c3nccc1c3)=O)C	7553
+C(C)CN(CCC)C(C1=Cc2c(cc(-c3ccc(cc3)O)cc2)NC(=N)C1)=O	7554
+CC(C)(C)OC(NCc1cn(CCON2C(=O)c3ccccc3C2=O)nn1)=O	642
+CC(C)(C)OC(=O)NCC#CC=1c2c(cnc(n2)SC)C(N(c3c(Cl)cccc3Cl)C=1)=O	7555
+C1COCCN1c2ccc(cc2)Nc3nc4C(C#CCN)=CN(c5c(cccc5Cl)Cl)C(=O)c4cn3	7556
+CC(C)(C)OC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(c(Cl)c3)Oc4ccc(C)nc4)c2c1	7557
+CC(C)(C)OC(NCC(NC(c1ccc(cc1)-c2ccccc2)CC#N)=O)=O	143
+CC(C)(C)c1cc(c(s1)CNC(=O)CN)NC(Nc2ccc(cc2)C)=O	84
+CC(C)(C)OC(=O)NCC(c1nnc2cc(-c3ccnc(n3)Nc4n(C)ncc4)cc(F)n12)Cc5cnc(OC)cc5	757
+CC(C)(C)OC(NCC(C(NNc1nc(cc(c1)-c2nc(ncc2)Nc3n(C)ncc3)F)=O)Cc4cnc(OC)cc4)=O	355
+CC(C)(C)OC(=O)NCC(C)(C)CC(=O)Oc1ccc(cc1)[N+]([O-])=O	2850
+O=S(=O)(NCC(C)(C)CN)c1cccc2c1ccnc2	12
+CC(C)(C)OC(NCC(C)(C)c1ccc(cc1)N)=O	0
+c1c(c(O)ccc1)C(=O)NC(CN)C	12
+CC(C)(C)OC(=O)NCC(C)OCCO	118
+CC(C)(C)OC(=O)NCC(C)c1ccc(cc1)C#Cc2ccc(cc2)OCCC	129
+CC(C)(C)OC(=O)NCC(C(Oc1cccc2ccc(nc12)-c3nnc4n3cccc4)CC)CC	1346
+CC(C)(C)OC(=O)NCC(CCOc1ccc(cc1)C#N)OS(=O)(=O)C	7
+CC(C)(C)OC(=O)NCC(CN1CCC(CC1)Oc2ccc(cc2)F)NC(C=Cc3c(ccc(c3)C#N)OC)=O	711
+CC(C)(C)OC(NCC(CN1CCC(CC1)Oc2ccc(cc2)F)N)=O	102
+CC(C)(C)OC(NCC1CN(c2cc3CC(N(CCC)c3c(c2)F)=O)C(=O)O1)=O	2151
+CC(C)(C)OC(NCC1CN(c2cc(F)c3c(CC(=O)N3CCF)c2)C(=O)O1)=O	2151
+CC(C)(C)OC(NCC1CN(C(=O)O1)c2cc(F)c3c(CC(=O)N3C4CC4)c2)=O	2151
+CC(C)(C)OC(NCC1OC(N(C1)c2cc3CC(N(CC4CC4)c3cc2)=O)=O)=O	2151
+CC(C)CN(C(=O)CN)CC(=O)OC	84
+CC(C)(C)OC(=O)NCC(NC(c1c[nH]c2c1cc(cc2)Cl)=O)c3c4cc(Cl)ccc4[nH]c3	56
+C1Cc2c(ccc(F)c2Br)C(CC(=O)O)N1C(CN)=O	84
+C1CC(CCN1C(=O)CN)(C(NCc2c(cccn2)C)=O)COC(=O)Nc3ccc(cc3)CC	84
+N#CC1CCCN1C(=O)CN	84
+CC(C)(C)OC(NCC(N1CCCC1C#N)=O)=O	143
+CC(C)(C)OC(NCC(N1C(c2c(CC1)c(Br)c(cc2)F)CC(O)=O)=O)=O	4
+CC(C)(C)OC(=O)NCC(C)N	18
+c1ccccc1-c2ccc(cc2)C(CC#N)NC(CN)=O	84
+CC(C)(C)OC(NCC(=O)NC(c1ccc(cc1)-c2ccccc2)CC(N)=O)=O	83
+c1cc(ccc1)-c2[nH]c3c4c(ccc3)C(NC(CN)=O)CCc24	84
+CC(C)(C)OC(=O)NCC(N)c1cc(cc(c1)F)Br	499
+C1CN(CCN1c2nccn3c(cnc23)-c4cccc(n4)NC(CN)c5ccccc5)C	12
+CC(C)(C)OC(NCC(=O)NCc1sc(cc1NC(Nc2ccc(cc2)C)=O)C(C)(C)C)=O	9
+CC(C)(C)OC(NCC(N(CC(C)C)CC(OC)=O)=O)=O	478
+CC(C)(C)OC(NCC(OC1C(Nc2c(ccc(-n3c4CC(C)(C)CC(c4c(CC)n3)=O)c2)C(N)=O)CCCC1)=O)=O	27
+CC(C)(C)OC(=O)NCC(N1CCN(CC1)C(c2c(C(F)(F)F)cccc2)=O)=O	10
+CC(C)(C)OC(NCC(N1CCc2c(Br)c(ccc2C1CC(=O)OC)F)=O)=O	10
+CC(C)(C)OC(=O)NCC(=O)N1CC(c2c(C1)cccc2)OC	10
+CC(C)(C)OC(NCC(NC1c2cccc3[nH]c(-c4ccccc4)c(CC1)c23)=O)=O	9
+CC(C)(C)OC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)OC	188
+CC(C)(C)OC(=O)NCC(OCc1ccc(cc1)Nc2cc(-c3c(ccc(Cl)c3)OCC)nc(N)n2)=O	1699
+CC(C)(C)OC(=O)NCC(NCCNC(=O)CC1c2n(-c3c(C(c4ccc(cc4)Cl)=N1)cc(cc3)OC)c(C)nn2)=O	9
+CC(C)(C)OC(=O)NCC(=O)NC(C(=O)OC)CCCCNC(OCc1ccccc1)=O	188
+CC(C)(C)OC(=O)NCC(N1CCN(CC1)Cc2sc3c(nc(nc3N4CCOCC4)-c5cnc(nc5)N)c2C)=O	10
+CC(C)(C)OC(=O)NCC(OS(=O)(=O)C)C	7
+CC(C)(C)OC(=O)NCC(CN(C)S(=O)(=O)c1c(cc(cc1)Cl)Cl)O	693
+CC(C)(C)OC(=O)NCC1OC(=O)N(c2cc3CCOC(=O)N(c3cc2)C)C1	7558
+CC(C)(C)OC(=O)NCC(COCC)N1C(c2ccccc2C1=O)=O	1579
+c1ccccc1C(CNC)c2ccc3[nH]ccc3c2	352
+CC(C)(C)OC(=O)NCC(c1ccc(cc1)Cl)CC(=O)Nc2ccccc2	33
+CC(C)(C)OC(NCC(c1ccccc1)NC(c2cc(c(Cl)cc2)NC(=O)c3c(O)nc4nc(nc(c4c3)C)OC)=O)=O	14
+CC(C)(C)OC(NCC1(CC12CCCCC2)C(NO)=N)=O	409
+CC(C)(C)OC(NCC1(C(C1)C(C)C)C(O)=O)=O	4
+CC(C)(C)OC(NCC1(CC1C(C)C)C(N)=O)=O	7559
+CC(C)(C)OC(NCC1(C(C)(C)C(CC1)Nc2c3n(cc(Br)c3)ncc2C(=O)N)C)=O	719
+CC(C)(C)OC(NCC1(C)C(C)(C)C(CC1)N)=O	102
+CC(C)(C)OC(NCC1(CC1)C(NNC(=O)C2CCC3N(OCc4ccccc4)C(=O)N2C3)=O)=O	1038
+CC(C)(C)OC(NCC1(CC1)C(=O)NN)=O	355
+CC(C)(C)OC(=O)NCC1(CC1)c2nnc(C3CCC4N(C(=O)N3C4)OCc5ccccc5)o2	1037
+CC(C)(C)OC(NCC1(C#N)C2(CCCCC2)C1)=O	143
+CC(C)(C)OC(=O)NCC1(CC12CCCCC2)C=3NC(=O)ON=3	3340
+CC(C)(C)OC(=O)NCC1(C#N)C(C(C)C)C1	143
+CC(C)(C)OC(N(C)CC1(c2ccccc2)C(C1)COCc3ccccc3)=O	397
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(CO)cc2C=1c3ccccc3)=O	49
+CC(C)(C)OC(NCC1CCC(CC1)C(CCc2ccccc2)=O)=O	2851
+CC(C)(C)OC(NCC1CCC(CC1)C(=O)N(OC)C)=O	164
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2cccc(c2)Br)C(OC)=O)=O)=O	188
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2ccc(cc2)Br)C(OC)=O)=O)=O	188
+CC(C)(C)OC(NCC1CCC(CC1)C(O)CCc2ccccc2)=O	100
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2cc(ccc2)-c3cnc(nc3)N4CCOCC4)C(O)=O)=O)=O	1629
+CC(C)(C)OC(NCC1CCC(CC1)C(=O)NC(C(=O)O)Cc2ccc(cc2)-c3c(cc(cc3)C(NC(C)C)=O)Cl)=O	4
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2ccc(cc2)-c3c(cc(cc3)C(NC(C)C)=O)Cl)C(OC)=O)=O)=O	14
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2ccc(cc2)-c3ccc(cc3Cl)C(=O)O)C(OC)=O)=O)=O	11
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(C(O)=O)Cc2cc(Br)ccc2)=O)=O	4
+C1CC(CCC1CN)C(O)CCc2ccccc2	12
+CC(C)(C)OC(NCC1CCC(CC1)C(=O)O)=O	1317
+CC(C)(C)OC(NCC1CCC(CC1)CNC(=O)c2c3c(cccc3)nc(-c4ccc(nc4)F)c2)=O	14
+CC(C)(C)OC(NCC1CCC(CC1)NS(=O)(=O)C(C)C)=O	111
+CC(C)(C)OC(NCC1CCC(CC1)N)=O	102
+c1ccccc1COC(NC2CCC(CC2)CN)=O	12
+C1CC(CCC1CN)NS(=O)(=O)C(C)C	12
+CC(C)(C)OC(NCC1CCC(CC1)c2ccc(cc2)NC(C(OC)=O)=O)=O	994
+CC(C)(C)OC(=O)NCC1CCC(CC1)c2ccc(cc2)NC(=O)C(NN)=O	2556
+CC(C)(C)OC(=O)NCC1CCCCN1C(CCCCCCCCCCCC)=O	58
+O=S(=O)(C)CCC(NC(=O)c1cc(c(cc1)C(=O)N2CCCC2CN)Cl)c3nc4cc(ccc4[nH]3)Cl	12
+CC(C)(C)OC(NCC1CCCN1C(=O)c2c(cc(cc2)C(=O)NC(c3nc4ccc(cc4[nH]3)Cl)CCS(C)=O)Cl)=O	441
+CC(C)(C)OC(NCC1CCCN1C(=O)c2c(cc(cc2)C(=O)NC(CCS(=O)(=O)C)c3nc4cc(ccc4[nH]3)Cl)Cl)=O	2852
+CC(C)(C)OC(NCC1CCN(CC1)CCN)=O	51
+C1CN(CCC1CN)CC2CCN(CC2)C(=O)OC	12
+CC(C)(C)OC(NCC1CCN(CC1)c2ncc(cc2NC(=O)c3cc(Cl)ccc3)S(=O)(=O)C)=O	660
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(C=O)nc23)=O	3353
+CC(C)(C)OC(NCC1CCN(CC1)c2cc(C(Nc3ccccc3)=O)ccc2N)=O	0
+CC(C)(C)OC(NCC1CCN(CC1)c2c3c(ccc(C(O)CO)n3)ccc2)=O	265
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(-c4n5ccc(I)cc5nn4)nc23)=O	2149
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(C=NNc4cc(I)ccn4)nc23)=O	1698
+C1CC(CCN1c2cccc3ccc(nc23)-c4n5ccc(C(O)CO)cc5nn4)CN	12
+CC(C)(C)OC(NCC1CCN(CC1)c2c(N)cc(S(=O)(=O)C)cn2)=O	13
+C1CN(CCC1CN)c2ncc(cc2NC(=O)c3cc(Cl)ccc3)S(=O)(=O)C	12
+CC(C)(C)OC(=O)NCC1CCN(Cc2c(Cl)c(Cl)ccc2)C1	48
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(C4OC(C)(C)OC4)nc23)=O	4205
+CC(C)(C)OC(NCC1CCN(CC1)CC#N)=O	1576
+CC(C)(C)OC(NCC1CCN(CC1)c2c3nc(ccc3cc(F)c2)-c4n5c(nn4)cccc5)=O	4205
+CC(C)(C)OC(NCC1CCN(CC1)c2cc(ccc2[N+](=O)[O-])C(Nc3ccccc3)=O)=O	202
+CC(C)(C)OC(=O)NCC1CN(C1)c2c(cc(C(=O)OCC)c(n2)C)C#N	43
+CC(C)(C)OC(NCC1OC(N(c2cc(c(C3CCN(CC3)C(=O)CO)cc2)F)C1)=O)=O	7560
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(cc2C=1c3ccccc3)CCC(OCC)=O)=O	159
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(cc2C=1c3c(F)cccc3)O)=O	16
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(C=O)cc2C=1c3ccccc3)=O	39
+CC(C)(C)OC(NCC=1N(C(=O)c2c(cc(OCC(N)=O)cc2)C=1c3ccccc3F)CC(C)C)=O	2805
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2c(C=1c3ccccc3)cc(cc2)CCC(=O)N)=O	83
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(cc2C=1c3ccccc3)CCC(O)=O)=O	3
+CC(C)(C)OC(NCCNC1Cc2c(C1)ccc(c2)Br)=O	110
+CC(C)(C)OC(NCCNC1CCN(CC1)C(=O)OCc2ccccc2)=O	110
+CC(C)(C)OC(=O)NCCOc1cnc(c(C)c1C(=O)OC)OC(C)C	458
+CC(C)(C)OC(=O)NCCN=[N+]=[N-]	310
+CC(C)(C)OC(NCCn1c(c(-c2cccc(c2)C#N)c(c1)C(=O)OC)Cl)=O	1878
+CC(C)(C)OC(NCCOc1c(OC)cc(-c2ccc3nc(C)cn3n2)cc1)=O	8
+CC(C)(C)OC(=O)NCCOc1cc(C)c(c(c1)C)Br	8
+CC(C)(C)OC(NCCN1CCCN(c2c(cnn2C)[N+](=O)[O-])CC1)=O	28
+C(CC#Cc1ccc(C(NC)=O)c(n1)NCC)N	12
+CC(C)(C)OC(NCCC(Nc1ccc(cc1)CCCCNC(OCc2ccccc2)=O)=O)=O	213
+CC(C)(C)OC(N(CCC(C)C)CC)=O	2802
+CC(C)(C)OC(NCCC(O)CO[Si](C)(C)C(C)(C)C)=O	19
+CC(C)(C)OC(NC(CN=[N+]=[N-])CCNC(OC(C)(C)C)=O)=O	133
+CC(C)(C)OC(=O)NCCC(Nc1ccc(cc1)CCCCN)=O	102
+CC(C)(C)OC(NCCC(=O)CO[Si](C)(C)C(C)(C)C)=O	86
+O(Cc1cccc(C)n1)c2cc(C(CCN)O)ccc2	12
+CC(C)(C)OC(=O)NCCC(N)c1ccccc1	45
+CC(C)(C)OC(=O)NCCC1(CCNCC1)O	25
+CC(C)(C)OC(=O)N(CCC1CCC(CC1)COC(C)=O)C	397
+c1(cc(C(CCCN)=O)ccc1Br)F	12
+CC(C)(C)OC(NCCCC(NC(=O)C)C(=O)N1CCCC1C(NCC(=O)OCc2ccccc2)=O)=O	348
+CC(C)(C)OC(NCCCC(C(=O)O)NC(C)=O)=O	188
+CC(C)(C)OC(NCCCC(C(O)=O)NS(=O)(=O)c1c(cc(F)cc1)Cl)=O	592
+CC(C)(C)OC(NCCCC(CO)NS(=O)(=O)c1c(cc(cc1)F)Cl)=O	21
+OC(C(=O)OC)CCCN	12
+O=S(=O)(NC(CO)CCCN)c1c(cc(cc1)F)Cl	12
+c1cc(ccc1)COC(CNC(=O)C2CCCN2C(C(CCCN)NC(=O)C)=O)=O	12
+CC(C)(C)OC(NCCCC(C(OC)=O)O)=O	325
+CC(C)(C)OC(=O)NC(CCCCNC(=O)OC(C)(C)C)COS(=O)(=O)C	7
+CC(C)(C)OC(NCCCCCCCC(N(CCCC)C)=O)=O	10
+CN(C(=O)CCCCCCCN)CCCC	12
+CC(C)(C)OC(NCCCCCCCCCCCO)=O	21
+c1(Cl)cc(cc(Cl)c1)Sc2nc3c(N)ncnc3n2CCCNCCCCCCN	12
+CC(C)(C)OC(NCCCCN(Cc1c(cccn1)-c2ccccc2)Cc3ncc(cc3C)C)=O	315
+O=S(=O)(c1ccc(cc1)CN(Cc2ncc[nH]2)Cc3nccn3C)NCCCCN	12
+CC(C)(C)OC(NCCCCNc1c2ccc(cc2ncc1N)OCc3ccccc3)=O	13
+CC(C)(C)OC(=O)NCCCCc1ccc(cc1)OCCN	102
+CC(C)(C)OC(=O)NCCCN1CCC2(CC1)CCN(C2)c3ncnc4[nH]cc(c34)Cl	778
+CC(C)(C)OC(NCCCN(C(C1=Nc2onc(C)c2C(N1Cc3ccccc3)=O)CC)C(c4ccc(cc4)C)=O)=O	115
+CC(C)(C)OC(=O)NCCCNc1c2c(ncc1N)cccc2	13
+CC(C)(C)OC(NCCCNn1c(nc2c[n+]([O-])c3ccccc3c12)COCC)=O	359
+CC(C)(C)OC(NCCCNn1c2c3ccccc3[n+]([O-])c(c2nc1COCC)N)=O	574
+C(C)OCc1nc2c(N)nc3c(c2n1NCCCN)cccc3	12
+CC(C)(C)OC(NCCCNn1c2c(c(N)nc3c2cccc3)nc1COCC)=O	445
+CC(C)(C)OC(NCCCOc1cc2c(c3c(nc(n3CCC)CCOC)c(N)[n+]2[O-])cc1)=O	574
+CC(C)(C)OC(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	445
+c1c2c(ccc1OCCCN)c3c(c(N)n2)nc(CCOC)n3CCC	12
+Cc1nc(N)nc(NCCCCC)c1CCCN	12
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2ncc(c(Nc3ccc(cc3)OCCCC(=O)OCC)n2)[N+]([O-])=O)=O	55
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2nc3c(cn2)ncn3-c4ccc(cc4)OCCCC(=O)OCC)=O	2853
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2nc3c(cn2)ncn3-c4ccc(cc4)OCCCC(O)=O)=O	3
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2nc(c(cn2)N)Nc3ccc(cc3)OCCCC(=O)OCC)=O	193
+CC(C)(C)OC(NCCCc1ccc(cc1)N)=O	0
+CC(C)(C)c1c(cccc1)OCCNC(=O)OC(C)(C)C	72
+CC(C)(C)OC(=O)NCCn1c2c(c(ncn2)N)nc1Sc3cc(OC)ccc3I	7561
+CC(C)(C)OC(NCCCn1c(nc2c1c3ccccc3nc2N)CCCC)=O	445
+CC(C)(C)OC(NCCCn1c2c(nc1CCCC)c[n+](c3c2cccc3)[O-])=O	359
+CC(C)(C)OC(NCCCn1c2cc(C(=O)O)ccc2nc1Nc3cc(OC)c(c(OC)c3)OC)=O	1
+c12n(CCCN)c(CCCC)nc1c(N)nc3c2cccc3	12
+CC(C)(C)OC(NCCCn1c(CCCC)nc2c([n+]([O-])c3c(cccc3)c12)N)=O	574
+C(C(=O)O)N(CC(=O)O)CCN	12
+C1CC(CCC1)CN(S(=O)(=O)c2ccccn2)CCN	12
+FC(F)(F)Oc1ccc(cc1)CN(CCCCC)CCN	12
+NCCN	12
+CC(C)(C)OC(NCCNCc1ccccc1OC(C)(C)C)=O	42
+CC(C)(C)OC(NCCNS(=O)(=O)c1cccc2c1cccc2N(C)C)=O	71
+CC(C)(C)OC(NCCNc1c(C)c(C)nc(Cl)c1[N+]([O-])=O)=O	105
+CC(C)(C)OC(NCCNCc1ccc(cc1)OC(F)(F)F)=O	42
+c1(O)ccc(-c2cc(-c3cccc(c3)C(=O)NCCN)nc(O)n2)cc1C	7562
+CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cc(Br)cc2cnccc12	71
+CC(C)(C)OC(=O)NCCNC(c1cc(cnc1)-c2sc(Nc3c(cccn3)Cl)nc2)=O	56
+CC(C)(C)OC(=O)NCCNCc1cc(c(OCc2ccccc2F)cc1)OC	42
+CC(C)(C)OC(NCCNc1nc(c2c(cccc2)n1)N(c3ccc(c(OC)c3)OC)C)=O	798
+CC(C)(C)OC(NCCNc1cc(OC)ccc1[N+]([O-])=O)=O	60
+CC(C)(C)OC(=O)NCCN1C(=O)c2c(C1)cc(cc2)Br	854
+CC(C)(C)OC(NCCNc1c(ccc(Br)c1)[N+](=O)[O-])=O	60
+CC(C)(C)OC(NCCNC1CCC(CC1)(CC(OCc2ccccc2)=O)O)=O	87
+CC(C)(C)OC(NCCNCc1cc(c(cc1)OCc2ccccc2)OC)=O	42
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCNC(CCCCCNCCNC(OC(C)(C)C)=O)=O	132
+CC(C)(C)OC(=O)NCCNC(=O)CCNC(=O)OCc1ccccc1	9
+CC(C)(C)OC(NCCNc1c2c(ncc1[N+](=O)[O-])cc(OCc3ccccc3)cc2)=O	105
+CC(C)(C)OC(=O)NCCNc1c2ccccc2nc(c1)-c3ccccc3O	105
+C12CC(CCC1(C)C3C(O)CC4(C(CCC4C(=O)NCCN)C3CC2)C)O	12
+c1cc(ccc1Cl)C=2c3c(ccc(c3)OC)-n4c(C)nnc4C(N=2)CC(NCCN)=O	12
+C1COCCN1C(NCCN)=O	12
+c1cc(ccc1NC(=O)ON2C(CCC2=O)=O)NC(NCCN)=O	12
+C(C)C=CCC=CCC=CCC=CCC=CCCCCOC(CC)C(NCCN)=O	12
+CC(C)(C)OC(NCCNC(=O)CC(NC(OC(C)(C)C)=O)CCCN)=O	102
+CC(C)(C)OC(=O)NCCNC(=O)Nc1ccc(cc1)N	7563
+CC(C)(C)OC(=O)NCCN(Cc1cn(C2OCCCC2)nc1I)C	678
+CC(C)(C)OC(=O)NCCN(Cc1cncn1-c2ccc(cc2)C#N)C	879
+C1CC(CCC1CC(NC2Cc3cccc(c3OB2O)C(O)=O)=O)NCCN	12
+FC(F)(F)C(=O)NCCNCCNC(OC(C)(C)C)=O	605
+CC(C)(C)OC(=O)NCCN(C(=O)c1ccc(cc1)F)Cc2ccc(c(OC)c2)OCc3ccccc3	115
+CC(C)(C)OC(NCCN(CCCCC)Cc1ccc(cc1)OC(F)(F)F)=O	61
+CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCN	12
+CC(C)(C)OC(NCCNc1c(C)c(nc(Oc2ccccc2)c1[N+]([O-])=O)C)=O	136
+CC(C)(C)OC(=O)NCCn1c2c(c(nc(c2C)C)Oc3ccccc3)nc1C	1700
+CC(C)(C)OC(NCCNc1c(C)c(C)nc(c1N)Oc2ccccc2)=O	13
+CC(C)(C)OC(NCCn1c2c(ccc(Br)c2)nc1)=O	2854
+CC(C)(C)OC(NCCNc1c(ccc(Br)c1)N)=O	0
+CC(C)(C)OC(NCCNc1c(cnc2c1ccc(c2)OCc3ccccc3)N)=O	13
+CC(C)(C)OC(NCCNc1cc(ccc1N)OC)=O	0
+NCCNc1nc(c2ccccc2n1)N(C)c3ccc(c(c3)OC)OC	12
+CC(C)(C)OC(NCCOCCNc1c2c(cccc2)ncc1N)=O	13
+CC(C)(C)OC(NCCOCCn1cnc2cnc3c(c12)cccc3)=O	919
+CC(C)(C)OC(NCCOCCOCC)=O	481
+CC(C)(C)OC(=O)NCCOCCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)NCCOCCOc1cc([N+]([O-])=O)ccc1	20
+C(COCCN)OCC	12
+C(CCCCC)OCCOCCN	12
+C(CCOCCOCCN)CCCCl	12
+CC(C)(C)OC(NCCOCCOCCNC(=O)COc1c(OC)cc(C=CC(=O)OC)cc1)=O	9
+CC(C)(C)OC(NCCOCCOCCNC(COc1ccc(C=CC(O)=O)cc1OC)=O)=O	127
+O=C(CCCCC(=O)O)NCCOCCOCCOCCN	12
+CC(C)(C)OC(NCCOCCOCCOCCOCCC(Nc1nc(c(-c2ccc(c(c2)S(=O)(=O)C)Cl)s1)C)=O)=O	373
+CC(C)(C)OC(NCCOCCOCCOCCOc1c(OC)c(OC)cc(C=O)c1)=O	494
+CC(C)(C)OC(NCCOCCn1c2c(c(N)nc3c2cccc3)nc1)=O	445
+CC(C)(C)OC(NCCOCCn1cnc2c(N)[n+](c3ccccc3c12)[O-])=O	574
+CC(C)(C)OC(NCCOCCn1cnc2c[n+](c3ccccc3c12)[O-])=O	359
+CC(C)(C)OC(NCCOc1c(OC)cc(-c2ccc3n(c(c(n3)C)-c4cc(c(N)nc4)C(F)(F)F)n2)cc1)=O	7564
+FC(F)(F)c1cc(cnc1N)-c2c(nc3ccc(-c4ccc(c(OC)c4)OCCN)nn23)C	12
+CC(C)(C)OC(NCCOc1cncc(-c2cc3CCC(=O)N(C)c3cc2)c1)=O	156
+C1C(CC1)(C=2c3cc(ccc3CCN=2)OCCN)c4nc(Cl)ccc4	12
+CC(C)(C)OC(NCCOc1c(OC)cc(cc1)NC(=O)c2[nH]cc(-c3ccc(cc3)Cl)c2)=O	187
+CC(C)(C)OC(NCCOc1ccc(cc1)NS(=O)(=O)c2ccccc2)=O	69
+CC(C)(C)OC(NCCOc1ccc(cc1)N)=O	0
+c1ccccc1S(=O)(=O)n2c3c(cc2)cc(cc3)OCCN	12
+CC(C)(C)OC(NCCSSCCNC(c1cnccc1)=O)=O	56
+CC(C)(C)OC(NCCc1ccc(cc1N)C(C)C)=O	0
+CC(C)(C)OC(=O)NCCc1ccc(cc1O)C(C)C	16
+CC(C)(C)OC(NCCc1cn(C)c2c1cccc2)=O	144
+CC(C)(C)OC(NCCc1c2c(cc(N)cc2)[nH]c1)=O	0
+c1c(cc(CCN)cc1)C#N	12
+NCCc1cc(Cc2cccnc2)cc(CCC(OCC)=O)c1	12
+c1cc(ccc1F)Cc2cc(cc(CCC(OCC)=O)c2)CCN	12
+CC(C)(C)OC(NCCc1ccc(cc1)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(NCCc1ccc(cc1)CN(C)C)=O	2141
+CC(C)(C)OC(NCCc1c(cc(C(C)C)cc1)NC(=O)C(OCC)=O)=O	994
+C(CN)c1c2ccccc2n(C)c1	12
+n1(CCN)c(Cl)c(c(C(=O)OC)c1)-c2cc(ccc2)C#N	12
+CC(C)(C)OC(NCCn1ncc2c(cc(C3CC3)nc12)C(=O)O)=O	6
+C1CC(CCN1C(c2cc3ccn(CCN)c3cc2)=O)Oc4ccc(cc4)Cl	12
+CC(C)(C)OC(=O)NCCn1c2c(ncnc2Nc3ccc(Oc4cc(ccc4)OC(F)(F)F)c(C)c3)cc1	1190
+c1ccccc1COc2cc3n(CCNC3=O)n2	7565
+c1ccccc1COc2nn(CCN)c(C(OCC)=O)c2	12
+CC(C)(C)OC(NCc1c(nc(c(C(O)=O)c1-c2ccc(cc2)C)C)CC(C)C)=O	1
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(cc2)OCC#N)c1-c3ccc(cc3)C)=O	489
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(C(=O)O)cc2)c1-c3ccccc3)=O	1
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(OCC(=O)NC)cc2)c1-c3ccc(cc3)C)=O	9
+CC(C)(C)OC(NCc1c(c2c(ccc(OCc3[nH]nnn3)c2)nc1CC(C)C)-c4ccc(cc4)C)=O	420
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(OCC(=O)O)cc2)c1-c3ccc(cc3)C)=O	4
+CC(C)(C)OC(NCc1ccc(Cl)cc1CNC(=O)C2NCCCC2)=O	7566
+CC(C)(C)OC(NCc1c(Cl)c(N=C=S)c(Cl)c(F)c1)=O	1381
+CC(C)(C)OC(NCc1c(c(Cl)cc(C(OC)=O)c1)F)=O	128
+C1CN(CCN1c2c(cc([N+]([O-])=O)cc2C)CN)C	12
+c1c(CN)c(c(Cl)cc1C(=O)OC)F	12
+CC(C)(C)OC(NCc1c(c2c(ccc(OCCCCC(=O)N)c2)nc1CC(C)C)-c3ccc(cc3)C)=O	83
+CC(C)(C)OC(NCc1c(c2c(ccc(OCCCCC(=O)O)c2)nc1CC(C)C)-c3ccc(cc3)C)=O	3
+CC(C)(C)OC(NCc1c(cc(F)cc1)OCCCCS(=O)(=O)N(c2nc(C(=O)OC)c(c3c2cccn3)OC)C)=O	4206
+CC(C)(C)OC(NCc1c(nc(c(c1-c2ccc(cc2)C)C(OCCCC(=O)OCC)=O)C)CC(C)C)=O	1908
+CC(C)(C)OC(NCc1c(-c2ccc(cc2)C)c(c(nc1CC(C)C)C)C(OCC#N)=O)=O	7567
+CC(C)(C)OC(NCc1c(nc(c(c1-c2ccc(cc2)C)C(OCCCC(=O)O)=O)C)CC(C)C)=O	3
+c1cc(ccc1-c2cc3c(c(O)n2)cccc3CN)CN4CCN(CC4)C	12
+CC(C)(C)OC(=O)NCc1ccc(c(C(=O)Nc2ccc(OC)c(c2)C(Nc3ccc(cc3)Br)=O)c1)Cl	67
+CC(C)(C)OC(=O)NCc1cc(F)c(c(c1)F)Oc2cc(Oc3ccc(cc3)C#N)cc(C(=O)OCC)c2	46
+CC(C)(C)OC(NCc1cccc(NS(=O)(=O)C)c1)=O	80
+CC(C)(C)OC(=O)NCc1cc(ccc1)Nc2nc(Nc3c(C(=O)NC)cccc3)c(cn2)Cl	55
+CC(C)(C)OC(NCc1cc(C)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(OC)n1)=O	14
+CC(C)CCn1c(nc2cc(CN)ccc12)CN3c4ccccc4C(=O)N(C5CC5)C3=O	12
+CC(C)(C)OC(N(Cc1ccc2c(c1)nc(n2CCC(C)C)CN3c4ccccc4C(=O)N(C5CC5)C3=O)C)=O	397
+CC(C)(C)OC(NCc1c(CNC(C2N(C(=O)OCC3c4c(-c5c3cccc5)cccc4)CCCC2)=O)cc(Cl)cc1)=O	9
+CC(C)(C)OC(NCc1ccc(F)cc1OCCCCC(=O)O)=O	3
+CC(C)(C)OC(=O)NCc1ccc(c(c1)Cl)COC	49
+CC(C)(C)OC(=O)NCc1ccc(Cl)c(Nc2[nH]c3cc(c(Cl)cc3n2)N4C(CCC4)CN(C)C)c1	1701
+CC(C)(C)OC(=O)NCc1cc(Nc2n(C)c3c(n2)cc(C(=O)OCC)c(OCC(F)F)c3)c(Cl)cc1	1023
+c1(c(OCc2ccc(nc2)OC)ccc(c1)CN)OC	12
+c1cc(ccc1CN(CC(OCC)=O)CCCCN(CCC)CCC)CN	12
+O=S(=O)(N(Cc1ccc(cc1)F)Cc2ccc(cc2)CN)c3c(c(Cl)cc(Cl)c3)O	12
+CC(C)(C)OC(NCc1ccc(cc1)CNC(=O)N2CCN(CC2)C(=O)CN)=O	334
+CC(C)(C)OC(NCc1ccc(cc1)CN(CCCCN(CCC)CCC)CC(OCC)=O)=O	303
+CC(C)(C)OC(NCc1ccc(cc1)CN(S(=O)(=O)c2c(c(Cl)cc(Cl)c2)O)Cc3ccc(cc3)F)=O	92
+CC(C)(C)OC(NCc1cc(N)ccc1)=O	0
+CC(C)(C)OC(NCC1CCCCN1)=O	4201
+CC(C)(C)OC(N(Cc1ncccc1)C)=O	397
+C1CCCC1N2C(CC)C(=O)N(C)c3cnc(-c4ccncc4CN)nc23	12
+CC(C)(C)OC(NCc1cc(c(c(OC)n1)CN)C)=O	388
+CC(C)(C)OC(=O)NCc1nc2C(=O)N(C(=O)N(C)c2[nH]1)CCCCC(O)C	2152
+CC(C)(C)OC(=O)NCc1ncc(CC(N2CCc3ccccc3C2)=O)c4c1cc(OC)c(OC)c4	10
+NCc1ncc(c2cc(OC)cc(OC)c12)C(=O)N3Cc4c(cccc4)CC3	12
+FC(F)(F)c1c(sc(CNC(=O)OC(C)(C)C)n1)C#N	1812
+CC(C)(C)OC(=O)NCc1ncc(CO)s1	4124
+C1CCCC1N(N)c2c(Br)cnc(n2)C#N	2133
+CC(C)(C)OC(=O)NN(C1CCOCC1)c2nc(ncc2Br)C#N	738
+CC(C)(C)OC(NNC(C(c1cc(c(OC)cc1C)C(C)C)CCCCl)=O)=O	7568
+CC(C)(C)OC(=O)NNC(=O)c1ccc(C)c(-c2ccn3c(-c4c(cccc4)Cl)nnc3c2)c1	2031
+FC(F)(F)C=1N(C)C(N(C(=O)C=1)c2cc(C(NNC(=O)OC(C)(C)C)=O)c(Cl)cc2F)=O	7569
+CC(C)(C)OC(=O)NNC(=O)c1cc(nc(c1)N(S(=O)(=O)C)C)N(CCOC)CC2C(C)C2	2031
+CC(C)(C)OC(NNC(=O)c1ccccc1-c2nc3ccc(F)cn3c2Nc4c(cccc4C)C)=O	2031
+CC(C)(C)OC(=O)NNC(OCCc1ccc(cc1)[N+]([O-])=O)=O	7570
+CC(C)(C)OC(=O)NNC1CC2CC1CN2C(OCc3ccccc3)=O	3710
+CC(C)(C)OC(N(NC(=O)OC(C)(C)C)c1ccc2n(c(-c3occn3)cc2n1)Cc4ccccc4)=O	4207
+CC(C)(C)OC(=O)N(NC(=O)OC(C)(C)C)c1ccc2c(n1)cc(C#N)n2Cc3ccccc3	4207
+c1cc(ccc1C(=O)OC)C(=O)NN	1685
+c1(cccc(C)c1Nc2c(nc3ccc(F)cn23)-c4ccccc4C(NN)=O)C	1685
+CC(C)c1c(OC)cc(C)c(C(C(=O)NN)CCCCl)c1	2132
+CC(C)(C)OC(NN(c1c(Br)cnc(Cl)n1)C2CCOCC2)=O	7571
+CC(C)(C)OC(=O)Nn1c(COCC)nc2c(Cl)nc(C)c(C)c12	7572
+CC(C)(C)OC(NNc1c(N)c(nc(C)c1C)Cl)=O	13
+CC(C)(C)OC(=O)NNc1cc(C(=O)O)ccc1	1
+CC(C)(C)OC(=O)NN(C(C1C(C2(C)C(C)(C)C1CC2)=O)=O)c3c(cc(F)cc3)Cl	7573
+CC(C)(C)OC(=O)NOCCCCN1C(c2c(C1=O)cccc2)=O	7574
+CC(C)(C)OC(=O)NOCC(O)=O	4
+Cc1c(-c2c(cncc2)NC)cccc1	352
+CC(C)(C)OC(=O)N(C)c1cncnc1-c2c(C)cccc2	4136
+c1cc(ccc1-c2c(c(no2)C)N)Br	2809
+CC(C)(C)OC(=O)Nc1c(noc1-c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(NS(=O)(=O)C)=O)C	99
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)CC(NC(C)=O)C(=O)NCC(CC(C)(C)CC)O)cn(C)n1)=O	248
+c1cc(ccc1-c2c(nn(c2)C)N)CC(NC(=O)C)c3[nH]c(CC(C)(C)CC)cn3	451
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)CC(NC(=O)C)c3[nH]c(CC(C)(C)CC)cn3)cn(C)n1)=O	4186
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)CC(NC(C)=O)C(=O)NCC(CC(C)(C)CC)=O)cn(C)n1)=O	86
+CC(C)(C)OC(=O)Nc1ccc2c(c1-c3ccccc3)cccn2	495
+CC(C)(C)OC(Nc1sc(nc1C(=O)NC)-c2ccccc2)=O	2405
+CC(C)(C)OC(=O)Nc1c(c(C)ccc1)C(=O)Nc2ccc(cc2)C	67
+CC(C)(C)OC(Nc1c(C)ccc(c1)Oc2cnc(N)cc2)=O	161
+CC(C)(C)OC(Nc1cc(ccc1C)CC)=O	414
+CC(C)(C)OC(Nc1c(C)[n+](c(Cl)cc1)[O-])=O	103
+CC(C)(C)OC(Nc1c(C)nc(nc1C)OCC(N(C2CCNCC2)C)=O)=O	25
+CC(C)(C)OC(Nc1c(C)nc(nc1C)OCC(N(C)C2CCN(CC2)c3ccccc3)=O)=O	7575
+CC(C)(C)OC(Nc1c(C)nc(nc1C)OCC(=O)N(C)C2CCN(CC2)Cc3ccccc3)=O	10
+c12c(n[nH]c1ccc(C=O)c2)C=Cc3cnccc3N	78
+Cc1cc2c(F)cccc2[nH]1	7576
+CC(C)(C)OC(=O)Nc1cc(C#N)cc(c1Cl)C(CCO)C	1382
+c1(Nc2ncc3c(sc(NC(C)=O)n3)n2)c(Cl)cc(F)c(N)c1	78
+CC(C)(C)OC(Nc1c(F)cc(Cl)c(Nc2ncc3nc(NC(C)=O)sc3n2)c1)=O	290
+CC(C)(C)OC(Nc1c(F)cc(Cl)c(c1)Nc2nc3c(nc(N)s3)cn2)=O	2811
+C1CC1C(Nc2nc3ccc(nc3s2)Oc4cc(N)c(cc4)F)=O	78
+Nc1c(I)cc(Cl)nc1	473
+c1(c(Cl)cc(c(N)c1)NC(CC(c2cc(-c3onc(c3)C)ncc2)=O)=O)N(C)CCOC	78
+O=C1Nc2c(NC1=O)c(C#N)c(s2)SC	7577
+CN(C)CCOc1ccc2sc(C(Nc3ccccc3N)=O)cc2c1	78
+C1CCC(C1)n2c3ncnc(Cl)c3c(-c4cc(OC)c(cc4)N)c2	78
+c1(-c2cnccc2)nc(Oc3cccc(C#N)c3)c(N)cn1	4208
+CC(C)(C)OC(=O)Nc1cc(N(C)C)c(cc1[N+]([O-])=O)C	202
+CC(C)(C)OC(Nc1cc(NC(C)C)c(Cl)cc1N)=O	0
+FC(F)(F)c1ccc(NC(OC(C)(C)C)=O)c(c1)N	0
+C[Si](C)(C)C#Cc1cc(c(cc1)NC(OC(C)(C)C)=O)[N+]([O-])=O	311
+CC(C)(C)OC(Nc1c(cc(-c2cc(F)ccc2F)cc1)[N+](=O)[O-])=O	134
+CC(C)(C)OC(Nc1ccc(-c2ccc(cc2)OC)cc1[N+](=O)[O-])=O	134
+CC(C)(C)OC(=O)Nc1ccc(-c2c(cccc2)F)cc1[N+](=O)[O-]	134
+CC(C)(C)OC(Nc1ccc(-c2cocc2)cc1[N+]([O-])=O)=O	7578
+CC(C)(C)OC(Nc1ccc(-c2occc2)cc1[N+]([O-])=O)=O	4209
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+](=O)[O-])-c2ccccc2Cl	7579
+CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccccc2)cc1[N+](=O)[O-]	129
+CC(C)(C)OC(Nc1c(c(OC)cc(OC)c1C)Cl)=O	662
+COc1c(Cl)c(N)c(c(OC)c1)C	78
+CC(C)(C)OC(=O)Nc1c(cc(cc1)-c2c(ccc(F)c2)F)N	0
+CC(C)(C)OC(=O)Nc1c(NC(=O)CC(=O)c2cccc(C#N)c2)cc(-c3occc3)cc1	1397
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+](=O)[O-])C#Cc2ccccc2F	129
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(cc1)C#Cc2c(cc(F)cc2)F)=O	129
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+](=O)[O-])C#Cc2ccc(cc2)F	129
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(c(c1)NC(C)C)Cl)=O	205
+CC(C)(C)OC(=O)Nc1c(cc(c(c1)N(C)C)Cl)[N+](=O)[O-]	202
+CC(C)(C)OC(Nc1cc(N2CCSCC2)c(cc1N)C(F)(F)F)=O	0
+CC(C)(C)OC(Nc1ccc(-c2cccnc2)cc1N)=O	0
+CC(C)(C)OC(Nc1c(cc(Oc2ccnc(NC)c2N)cc1)F)=O	13
+CC(C)(C)OC(Nc1cc(Cl)ccc1C=CC(O)=O)=O	127
+Nc1c(C)ccc(O)c1C	78
+CC(C)(C)OC(Nc1c(F)ccc(Oc2ccc3nc(sc3n2)N)c1)=O	2153
+CC(C)(C)OC(=O)Nc1c(ccc(N)c1)F	0
+CC(C)(C)OC(Nc1c(C)ccc(Oc2cnc([N+]([O-])=O)cc2)c1)=O	706
+CC(C)(C)OC(Nc1c(ccc(Oc2ncc(N)cc2)c1)F)=O	13
+CC(C)(C)OC(Nc1c(ccc(c1)Oc2cn3nc(nc3cc2)N)C)=O	982
+C1CC1C(=O)Nc2nc3n(cc(Oc4cc(c(C)cc4)N)cc3)n2	78
+CC(C)(C)OC(Nc1c(NC(c2cc3cc(OCCN(C)C)ccc3s2)=O)cccc1)=O	72
+CC(C)(C)OC(Nc1c(cccc1)NC(=O)c2cc3c(ccc(c3)O)s2)=O	818
+c1(c(N)c(ccc1)NC)F	78
+CC(C)(C)OC(Nc1c(nccc1C(=O)O)OC)=O	4210
+O(c1c(N)c(ccn1)C(=O)O)C	473
+c1ccccc1-c2c(ccs2)NC	352
+C(OCOc1cc2c(cc1)cccc2NC)COC	352
+Nc1c2c(nc(cc2)-c3[nH]ncc3)ccc1Cl	78
+CC(C)(C)OC(Nc1c2c(nn(-c3ccc(cc3)N)c2ncn1)I)=O	0
+Nc1c2c(ccc(OCC)c2)ccc1	78
+CC(C)(C)OC(=O)Nc1cc(C)cc(-c2ccncc2N=C=S)c1	7580
+FC1(F)CC(C1)c2onc(-c3cc(N)c(C)cc3)n2	78
+c1(nc(cc(Br)c1)N)C(=O)OC	451
+CC(C)(C)OC(=O)Nc1onc(C(C)(C)CO)c1	168
+c1c(C)c(c(cc1N)C)Cc2ccc(c(Cc3ccc(cc3)F)c2)OC	78
+CC(C)(C)OC(Nc1cc(c(CN)c(OC)n1)C)=O	388
+CC(C)(C)OC(=O)Nc1cc(C)c(c(c1)C)C(c2ccc(OC)c(c2)Cc3ccc(cc3)F)O	257
+FC(F)(F)c1c(cc(c(c1)N)N)C	78
+C1CN(CCN1Cc2cc(N)cc(c2)C)C(C)=O	78
+c1cc(ccc1)-c2c(C3=NN(C(C=C3)=O)C(C)C)cc(cn2)N	473
+Nc1cc(ccc1[N+]([O-])=O)C=2CCCC=2	78
+CC(C)(C)OC(Nc1cc(C=O)ncn1)=O	7581
+CC(C)(C)OC(=O)Nc1cc(ncn1)CO	453
+c1cc([N+](=O)[O-])c2ccccc2c1OCCc3cc(NC(C)=O)ncc3	4107
+CC(C)(C)OC(Nc1cc(Cl)c(c(c1)Cl)OCC)=O	116
+c1(cc(cc(Cl)c1OCC)N)Cl	78
+CC(C)(C)OC(Nc1cc(ccc1C=CC(N2CCN(CC2)Cc3ccc(cc3)F)=O)Cl)=O	404
+CC(C)(C)OC(Nc1n2ncc(c2nc(c1)Cl)C=O)=O	2022
+CC(C)(C)OC(=O)Nc1ccnc(Cl)c1C=O	1031
+Fc1cc(cc(F)c1CSc2n(c(cn2)C(C)(C)c3ccc(Cl)c(OC)c3)-c4ccc(cc4)F)N	78
+c1cc(ccc1F)-c2cccc(c2)S(=O)(=O)N(C)c3cc(ccc3)N	78
+CC(C)(C)OC(=O)Nc1ccc(c(Nc2nc(ncc2Cl)Cl)c1)F	73
+CC(C)(C)OC(Nc1c(F)cc(c(Nc2ncc([N+]([O-])=O)c(SC#N)n2)c1)Cl)=O	55
+N1(C(C=C(C)C1=O)=O)c2cc(N3C(C(OC)=CC3=O)=O)cc(N)c2	78
+c1(cccc(N)c1)N2C(=O)NCC2	78
+c1c(N)cc(cc1)N2CCc3n4nccc4ncc3C2	78
+CC(C)(C)OC(Nc1cc(N(S(=O)(=O)c2cc(ccc2)-c3ccc(cc3)F)C)ccc1)=O	416
+c1(C)ccc(N)cc1Nc2n(ncn2)-c3cc(NC)ncn3	78
+CC(C)(C)OC(Nc1c(c(OC)cc(OC)c1)C)=O	1297
+CC(C)(C)OC(Nc1c(ccc(c1)Oc2ccc3nc(NC(=O)OCC)nn3c2)C)=O	977
+CC(C)(C)OC(Nc1cc(C)c(cc1N)C(F)(F)F)=O	0
+CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1	14
+CC(C)(C)OC(=O)Nc1cc(N)c(CCOC(C)=O)c2ccccc12	0
+C(C)N(CC)c1c(C#N)cc2NC(CC(=Nc2c1)c3cc(ccc3)-c4onc(C)c4)=O	690
+CC(C)(C)OC(=O)Nc1c(cc(c(N2CCCC2)c1)Cl)N	0
+c1ccccc1COc2cc(cc(c2)OCCCCCCCCCCCCCCCCCC)N	78
+c1cc(ccc1)-c2oc(C3=CCCCC3Cc4cccc(c4)N)nc2-c5ccccc5	78
+CC(C)(C)OC(Nc1cccc(N2c3c(c(N)ncn3)N(c4ccc(cc4)Oc5ccccc5)C2=O)c1)=O	7582
+CC(C)(C)OC(Nc1cc(ccc1C)C(N)=NO)=O	253
+CC(C)(C)OC(=O)Nc1cc(cnc1Cl)Nc2c(-c3nc(nc(N)n3)C)cc(OC)cn2	2097
+CC(C)(C)OC(Nc1ccc2c(CC3(CC3)C2CC(O)=O)c1)=O	2154
+C1CC12Cc3cc(N)ccc3C2CC(=O)OC	78
+C1COCCN1C=2OC(c3c4Sc5ccc(N)cc5Sc4ccc3)=CC(C=2)=O	78
+CC(C)(C)OC(Nc1ccc2[nH]cc(CC(=O)OC)c2c1)=O	2155
+CN(C)c1nc2n(n1)ccc(c2)N	78
+CC(C)(C)OC(=O)Nc1c(cc(cc1)-c2ccc(cc2)OC)N	0
+c1cnc(SCOC)n1-c2cccc(C(=O)CC(=O)Nc3c(N)ccc(c3)-c4ccccc4F)c2	78
+n1n(cnn1)-c2cccc(C=3CC(Nc4c(ccc(c4)-c5ccccc5F)N=3)=O)c2	690
+c1c(c(ccc1)F)-c2cc(c(N)cc2)NC(=O)CC(c3sc(cc3)C#N)=O	78
+c12ccc(-c3cnccc3)cc1NC(CC(c4cccc(C#N)c4)=N2)=O	7583
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(OC)=O)CNC(=O)NC	67
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(Nc4ccccc4)=O)CNC(C)=O	67
+CC(C)(C)OC(Nc1ccc(cc1N)-c2cocc2)=O	0
+CC(C)(C)OC(Nc1c(cc(-c2ccco2)cc1)N)=O	0
+CC(C)(C)OC(=O)Nc1c(C(OCc2ccccc2)=O)c(c(Br)cc1)C	470
+CC(C)(C)OC(Nc1ccc(C(OCC)=O)cc1N)=O	0
+CC(C)(C)OC(Nc1ccc(cc1C)C(c2ccc(cc2)Cl)=C)=O	2855
+C1CC1Nc2c3scc(C(Nc4c(C)ccc(N)c4)=O)c3ncn2	78
+c1cc(ccc1C(=O)OCC)-c2c(ccc(c2)N)C	78
+CN(C)CCOc1c(C)ccc(N)c1	78
+CC(C)(C)OC(Nc1ccc(CCI)nc1)=O	343
+Nc1ccc(c(C2(C)NC(=N)c3n(c(c(Cl)n3)C#N)C2)c1)F	7584
+c1c(cccc1C(=O)CC(=O)Nc2c(N)ccc(I)c2)C#N	78
+CC(C)(C)OC(Nc1ccc(c(C#Cc2ccccc2)n1)N)=O	943
+CC(C)(C)OC(Nc1ccc(cc1N)N2CCCC2)=O	0
+c1ccccc1S(=O)(=O)Nc2c(C#Cc3ccccc3)nc(N)cc2	451
+CC(C)(C)OC(Nc1ccc(NS(=O)(=O)c2ccccc2)c(C#Cc3ccccc3)n1)=O	322
+c1cc(ccc1-c2ccc3c([nH]nc3c2F)N)N	78
+c1cc(ccc1C(Nc2cc(Nc3nc(c(Cl)cc3)-c4c5ccccc5n(S(=O)(=O)c6ccccc6)c4)ccc2)=O)N	78
+c1cc(ccc1N)C(N2CC(CC2)Nc3ncc(Cl)c(-c4c5c(n(S(=O)(=O)c6ccccc6)c4)cccc5)n3)=O	78
+CC(C)(C)OC(Nc1ccc(cc1)CCOc2ccc(cc2)CC(OCC)C(OCC)=O)=O	126
+CC(C)(C)OC(Nc1ccc(cc1)CCOc2ccc(cc2)CC(OCC)C(O)=O)=O	3
+c1cc(ccc1N)Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC	78
+c1cc(ccc1N)Oc2cc(-n3cncn3)ncn2	78
+c1cc(ccc1Cl)C(=O)c2cc(c(N)cc2)Br	78
+CC(C)(C)OC(Nc1ccc(cc1C)C2(c3ccc(cc3)Cl)ON=C(C)C2)=O	7585
+c1cc(ccc1Cl)C2(c3ccc(c(c3)C)N)ON=C(C)C2	78
+CC(C)(C)OC(=O)Nc1c(F)cc(cc1)-c2ccc3c(n[nH]c3c2F)N	575
+CC(C)(C)OC(Nc1ccc(cc1F)-c2ccc(C#N)c(c2F)F)=O	368
+CC(C)(C)OC(=O)Nc1ccc(-c2sccc2)cc1NC(N(C)C)=O	2083
+C1CC2CCN1CC2Oc3nnc(cc3)-c4ccc(c(c4)[N+](=O)[O-])N	78
+CC(C)(C)OC(Nc1ccc(cc1N)-c2cccs2)=O	0
+CC(C)(C)OC(Nc1ccc(cc1[N+](=O)[O-])-c2sccc2)=O	809
+c1[nH]c2c(c1CC(OC)=O)cc(N)cc2	78
+CC(C)(C)OC(Nc1cc2c(C(CC(=O)OC)C3(CC3)C2)cc1)=O	325
+C1CN(CCN1C)c2ccc(Nc3nc4c(C=C(CC)C(=O)N4c5cc(N)ccc5)cn3)c(OC)c2	78
+CC(C)(C)OC(Nc1cccc(N2c3c(cnc(S(C)=O)n3)C=C(CC)C2=O)c1)=O	172
+c1cc(ccc1Oc2ccccc2)N3c4c(N)ncnc4N(C3=O)c5cccc(c5)N	78
+CC(C)(C)OC(=O)Nc1cc(N(C2CC2)c3ncc([N+]([O-])=O)c(SC#N)n3)ccc1	4211
+CC(C)(C)OC(Nc1cccc(Oc2cc(F)cc(Nc3c(F)cc(cc3)I)c2C(N)=O)c1)=O	216
+c1c(I)cc(c(Nc2cc(cc(Oc3cccc(N)c3)c2C(=O)N)F)c1)F	78
+CC(C)(C)OC(=O)Nc1cc(ccc1)C=Cc2cc(OC)cc([N+](=O)[O-])c2	722
+CC(C)(C)OC(=O)Nc1nc(CCN)ccc1	18
+CC(C)(C)OC(=O)Nc1nc(CCOS(=O)(=O)c2ccc(cc2)C)ccc1	36
+Nc1cccc2CCCN(C)c12	78
+CC(C)(C)OC(=O)Nc1c(C(O)=O)ccnc1	4210
+C1CCN(C1)c2nc3cc(ccn3n2)N	78
+CC(C)(C)OC(Nc1c(C=Cc2c3c(n[nH]2)ccc(C=O)c3)cncc1)=O	146
+Nc1ccsc1C(Nc2cccc(OC)c2)=O	4029
+c1c(nn2cc(nc2c1)N)I	2856
+CC(C)(C)OC(=O)Nc1nc(C)c(CN)nc1	4212
+Cc1nc(cnc1CNC(c2nnn(Cc3ccc4c(ccc(n4)C)c3)c2)=O)N	2856
+CC(C)(C)OC(Nc1conc1-c2ccc(cc2)OCc3cccnc3)=O	20
+c1cc(ccc1-c2nocc2N)OCc3cccnc3	2809
+CC(C)(C)OC(Nc1cc(sc1)C#Cc2c(cccc2)NC(N)=O)=O	3220
+CC(C)(C)OC(Nc1scc(C(O)=O)n1)=O	6
+CC(C)(C)OC(Nc1scc(CO)n1)=O	1171
+CC(C)(C)OC(Nc1nc(CCO)cs1)=O	44
+CC(C)(C)OC(Nc1nc(cs1)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(Nc1nc(CCc2cc(Nc3c(F)cnc(Cl)n3)ccc2)ccc1)=O	73
+c1(nc(N)sc1)CN(C)C(c2nccnc2C)=O	1398
+C1N(c2nc(ccc2)N)CCCC1NC(C=C)=O	451
+c1ccccc1C#Cc2nc(N)ccc2NC(C3CCOCC3)=O	451
+c1ccccc1-c2cc(cc(N)n2)Cl	451
+CC(C)(C)OC(Nc1nc(CCc2cccc(N)c2)ccc1)=O	801
+CC(C)(C)OC(=O)Nc1scc(n1)CCOc2ccc(cc2)F	885
+C1CN(CCC1c2ccccc2)Cc3cnc(N)s3	1398
+CC(C)(C)OC(=O)Nc1ccc(cn1)-c2ccccc2	89
+c1(C=2NC(=O)ON=2)cnc(cc1)N	451
+O=S(=O)(C)c1cccc(-c2cc3c(c(N4CCOCC4)nc(n3)-c5cnc(nc5)N)cc2F)c1	7586
+n1cc(ncc1N)COC(C)=O	2856
+CC(C)(C)OC(=O)Nc1ncc(CO)s1	1503
+c1cc(ccc1C(Nc2ncc3c(Br)cn(c3c2)CC)=O)C(=O)OC	7587
+Nc1nccc(Cl)c1C=O	451
+CC(C)(C)OC(=O)Nc1cc(ccn1)CCc2cccc(c2)N	1702
+CC(C)(C)OC(Nc1nccc(Oc2cnc(cc2)N)c1)=O	161
+CC(C)(C)OC(=O)Nc1cc(no1)-c2cc(ccc2)-c3ccc(cc3)C(=O)N4CCN(CC4)C(OCc5ccccc5)=O	99
+CC(C)(C)OC(=O)Nc1c(C#N)c(c(C(=O)O)s1)C	1
+c1cc(ccc1)C(=O)c2ccc(s2)N	2813
+c1cc(ccc1)-c2sc(c(C(NC)=O)n2)N	2808
+CC(C)(C)OC(=O)Nc1c(nc(-c2c(F)cc(cc2F)C3CCOCC3)s1)C(OCC)=O	4213
+CC(C)(C)OC(Nc1nc(C(N(C)C)=O)cs1)=O	837
+CC(C)(C)OC(N1CC(CC1Cc2c3ccccc3[nH]c2C)O)=O	7588
+CC(C)(C)OC(=O)c1cc(Cl)nc(c1)Cl	1933
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(O)=O	1885
+CC(C)(C)OC(C1C(CCC1)NS(=O)(=O)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4)=O	1885
+CC(C)(C)OC(=O)c1cc(Cl)nc(c1)C	1933
+c1cc(ccc1-c2nn3c(SC)nccc3c2C(C=CN(C)C)=O)F	7589
+CC(C)(C)OC(c1ccc(cc1)SCCCCCCCCCC(OC)=O)=O	1933
+CC(C)(C)OC(Oc1cc(c(cc1)OC(CCI)c2ccccc2)C)=O	363
+CC(C)(C)c1ccc(cc1OCc2ccccc2)O	7590
+CC(C)(C)OC(Oc1cc(C)c(cc1)OC(c2ccccc2)CCCl)=O	4214
+CC(C)(C)OC(Oc1ccccc1C(O)=O)=O	500
+CC(C)(C)OC(c1c(c(c(CC(O)=O)[nH]1)C(OCC)=O)C)=O	3
+CC(C)(C)OC(c1c(-c2ccc(cc2)Cl)c3sc(nc3cc1C)-c4ccnc(c4)N5CCN(CC5)CC)C(OCC)=O	183
+CC(C)(C)OC(c1c(cc2nc(sc2c1-c3ccc(cc3)Cl)-c4ccnc(c4)N5CCN(CC5)CC)C)C(O)=O	3
+CC(C)(C)OC(c1c(cc2c(c1-c3ccc(cc3)Cl)sc(-c4cc(c(cc4)NC)[N+](=O)[O-])n2)C)C(=O)OCC	7591
+CC(C)(C)OC(c1c(nc2cc(-c3cc(Cl)ccc3)nn2c1-c4c(C)c5CCCOc5c(F)c4)C)C(OC)=O	4153
+CC(C)(C)OC(c1c(cc(COc2cc(c(cc2)Cl)Cl)c(Cl)c1)F)=O	20
+c1c(I)cc(c(Nc2c(ccc3sncc23)C(=O)O)c1)F	153
+c1cc(ccc1Br)C2(CCCC2)Cc3nc(C(=O)O)c(c(O)n3)OCc4ccccc4	153
+Clc1cccc(Cl)c1Cc2nc(c(c(n2)O)OCc3ccccc3)C(=O)O	153
+CC(C)(C)OC(C(=O)O)c1c(ccc2ccccc12)OCc3ccccc3	3
+CC(C)(C)OC(=O)c1c(N)cc(C#N)cn1	13
+C(C)OC(c1c(CC(=O)O)[nH]cc1C)=O	7592
+CC(C)(C)OC(c1oc2c(c1C)c(c(cc2)Br)OC)=O	65
+CC(C)(C)OC(c1c(c2c(nc(c(O)c2C)C)s1)N)=O	2156
+CC(C)(C)OC(c1c(F)cc(c(Cl)c1)CO)=O	35
+O(Cc1c(cc(C(=O)O)c(F)c1)Cl)c2cc(c(Cl)cc2)Cl	153
+FC(F)(F)c1c(ccc(Oc2c(Cl)cc(C(=O)O)c(F)c2)c1)Cl	153
+CC(C)(C)OC(c1c(cc2nc(sc2c1-c3ccc(cc3)Cl)-c4ccc(NC)c(c4)N)C)C(=O)OCC	0
+CC(C)(C)OC(c1ccccc1-c2cc(c(cc2)Cn3c(C=O)c(nc3OCCC)Br)F)=O	371
+C1CCCCN1c2cc3c(c(c(nc3cc2)C)C(=O)O)-c4ccc(cc4)F	153
+CC(C)(C)OC(=O)c1cc(F)sc1-c2cc(c(cc2)-c3ccc(cc3)C4(CC4)C(=O)OCC)OC	4215
+CC(C)(C)OC(=O)c1cc(F)sc1-c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(=O)OCC	4215
+C1(c2c(cccc2)-n3c(C4CCN14)c(nc3)C(O)=O)=O	153
+c1(C)nc(cc(C(=O)O)c1)CC	153
+CC(C)(C)OC(c1cc(N(C)C)nc(CC)c1)=O	2651
+CC(C)(C)OC(c1cc(Cl)c(cc1F)Oc2cnc(c(Cl)c2)OCC(F)(F)C(F)F)=O	551
+CC(C)(C)OC(c1c(cc(c(c1)Cl)Oc2ccc(c(C(F)(F)F)c2)Cl)F)=O	46
+FC(F)(COc1c(Cl)cc(Oc2c(Cl)cc(C(=O)O)c(c2)F)cn1)C(F)F	153
+CC(C)(C)OC(c1cc2nncn2c(Cl)c1)=O	7593
+c1c(F)c(c(cc1C(O)=O)F)CSc2n(c(cn2)C(C)(C)c3ccc(Cl)c(OC)c3)-c4ccc(cc4)F	153
+C1CC1c2c(cc(cn2)Oc3cc(c(C(O)=O)cc3Cl)F)OC(F)(F)C	153
+C[Si](C)(C)C#Cc1cc(C(=O)OC(C)(C)C)ccc1	311
+CC(C)(C)OC(c1sc2NC(=O)C(=Cc3ccc[nH]3)c2c1)=O	7594
+C(C)OC(=O)n1nc(NC(c2c(cccc2)[N+]([O-])=O)=O)c3cc(sc13)C(=O)O	153
+CC(C)(C)OC(=O)c1ccc(-c2c(F)cccc2)nc1	119
+CC(C)(C)OC(c1ccc(c([N+]([O-])=O)c1)NC2CCN(CC2)c3nc(c4c(cc(c(OC)c4)OC)n3)N)=O	549
+C1CC(CCN1c2nc(c3c(cc(c(OC)c3)OC)n2)N)Nc4ccc(cc4[N+](=O)[O-])C(=O)O	153
+CC(C)(C)OC(=O)c1cc(C)c(cc1)-c2ccc(cc2)C#N	11
+CC(C)(C)OC(c1ccc(cc1)Oc2c(cc3c(OCCC3C(OCC)=O)c2)Cl)=O	304
+CC(C)(C)OC(=O)c1ccc(cc1)CCCCO	213
+c1cc(ccc1CCCCOCCCCBr)C(=O)O	153
+CC(C)(C)OC(=O)c1ccc(cc1)NCCN	60
+CC(C)(C)OC(c1ccc(cc1)N(c2ccc(C(=O)O)c(OC)c2)Cc3scnc3)=O	1
+c1cc(ccc1C(O)=O)N(c2cc(OC)c(cc2)C(N)=O)Cc3scnc3	153
+CC(C)(C)OC(c1ccc(cc1)N(c2cc(OC)c(cc2)C(N)=O)Cc3scnc3)=O	169
+CC1(C)C(C)(C)OB(O1)c2cccc(C(Nc3ccc(cc3)C(=O)OC(C)(C)C)=O)c2	67
+CC(C)(C)OC(c1ccc(cc1)NC(=O)C(C)N2C=C(C#N)C(=CC2=O)Br)=O	33
+CC(C)(C)OC(c1ccc(cc1)NC(=O)C(C)N2C(=O)C=C(c3c(ccc(Cl)c3)C#N)C(=C2)OCC)=O	33
+c1cc(ccc1NC(=O)C(C)N2C(=O)C=C(c3c(ccc(Cl)c3)C#N)C(=C2)OCC)C(O)=O	153
+CC(C)(C)OC(c1ccc(cc1)NC(C(C)N2C(C=C(c3cc(Cl)ccc3C4CC4)C(C#N)=C2)=O)=O)=O	7595
+FC(F)(F)Oc1c(cc(cc1)Cl)C2=CC(=O)N(C(C)C(=O)Nc3ccc(cc3)C(=O)OC(C)(C)C)C=C2C#N	7596
+CC(C)(C)OC(c1ccc(cc1)Oc2c(cc3C(CCOc3c2)C(=O)OC)C#N)=O	46
+c1cc(ccc1Oc2c(cc3C(CCOc3c2)C(=O)OC)C#N)C(=O)O	153
+c1cc(ccc1C(=O)O)Oc2c(cc3c(OCCC3C(OCC)=O)c2)Cl	153
+CC(C)(C)OC(c1ccc(cc1)SCCCCCCCCCC(O)=O)=O	4
+CC(C)(C)OC(=O)c1c([N+](=O)[O-])cc(C(O)=O)cc1	1
+CC(C)(C)OC(c1ccc(C(=O)O)cn1)=O	1
+C1CN(Cc2cncc(C(=O)OC)c12)c3cccc(C(=O)O)c3	153
+CC(C)(C)OC(c1ccccc1-c2ccc(Cn3c(nc(Br)c3C=NO)OCCC)c(F)c2)=O	2513
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(nc(C(CCC)O)c3C#N)CCC)=O	3458
+c1cc(ccc1-c2c(cccc2)C(=O)O)Cn3c(C)c(C)c4cc(ccc34)C(NC(C)c5ccccc5OC)=O	7597
+c1cc(ccc1Cn2c(c(C(O)CCC)nc2CCC)C(=O)N)-c3c(cccc3)C(=O)O	153
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(C)c(c4cc(C(=O)O)ccc34)C)=O	6
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(c(C(O)CCC)nc3CCC)C(=O)N)=O	2782
+CC(C)(C)OC(=O)c1c(CN2CN(C3(CCNCC3)C2=O)c4ccccc4)cccc1	62
+c1n(nnc1C(=O)O)CC(CCc2cc3c(nn2)[nH]c(-c4c(cccc4)F)c3)F	153
+CC(C)(C)OC(c1cnc(c(c1)Cl)NNC(=O)c2ccccc2)=O	898
+CC(C)(C)OC(c1cc(Cl)c2n(c(nn2)-c3ccccc3)c1)=O	7598
+CC(C)(C)OC(=O)c1nc(-c2ccc3N(CCN(c3c2)C(Nc4nc5c(cccc5)s4)=O)C)ccc1	2143
+CC(C)(C)OC(c1c([N+]([O-])=O)cc(C#N)cn1)=O	1684
+CC(C)(C)OC(c1nccc(c1)Oc2ccc(NC(Nc3ccc(c(C(F)(F)F)c3)Cl)=O)c(c2)F)=O	124
+FC(F)(F)c1c(ccc(NC(Nc2c(F)cc(Oc3ccnc(C(O)=O)c3)cc2)=O)c1)Cl	153
+CC(C)(C)OC(c1cn(CC(F)CCc2nnc3c(cc(-c4c(cccc4)F)[nH]3)c2)nn1)=O	587
+o1c2c(c(c1C(=O)O)C)c(OC)c(cc2)Br	153
+c1(C=C2c3cc(C(=O)O)sc3NC2=O)ccc[nH]1	153
+CC(C)(C)OC(c1cc2c(NC(=O)c3c([N+]([O-])=O)cccc3)nn(C(=O)OCC)c2s1)=O	330
+CC(C)(C)OC(=O)n1c(-c2c(Cl)nc3ccccc3c2)cc4c1ccc(c4)C(=O)C	155
+O=S(=O)(NC1CCCCC1)c2c(Cl)ccc(-c3[nH]c4ccccc4c3)c2	535
+O=S(=O)(c1cc(-c2cc3c(cccc3)[nH]2)ccc1Cl)Cc4cc(Cl)ccc4	535
+CC(C)(C)OC(=O)n1c(ccc1-c2ccc(cc2)NS(=O)(=O)CC)C#N	7599
+CC(C)(C)OC(=O)n1c(cc(n1)Nc2c3c(nc(C(F)(F)c4ccc(F)cn4)n2)cc(cc3)OC)C	349
+c1(C(C)C(=O)OCC)cc2c(cccc2)[nH]1	535
+CC(C)(C)OC(=O)n1c(-c2cc(Oc3ccc(cc3)C(=O)C)cc(OC(COC)C)c2)ccc1-c4sccn4	472
+CC(C)(C)OC(=O)n1c(ccc1-c2cc(OC(COC)C)cc(c2)Oc3ccc(cc3)S(=O)(=O)C)C(=O)OCC	7600
+CC(C)(C)OC(n1c(nc2ccc(C(O)C(F)(F)F)cc12)-c3c(C)cccc3C)=O	714
+CC(C)(C)OC(n1c2c(c(CN(C)CCN(C)C(=O)OC(C)(C)C)n1)c(ccc2)OCCCC3OC(C)(C)OC3)=O	262
+CC(C)(C)OC(=O)n1nc(c2ccc(cc12)OCCOCc3ccccc3)N	8
+CC(C)(C)OC(=O)n1c2cccc(C=CCO)c2cc1	4216
+CC(C)(C)OC(n1c2ccc(CN3C(c4ccccc4C3=O)=O)c(Cl)c2cc1)=O	1930
+CC(C)(C)OC(n1c2c(cc1)c(NC(C3CCN(CC3)Cc4ccccc4)=O)ccn2)=O	131
+CC(C)(C)OC(n1c(-c2c(Cl)nc3ccccc3c2)cc4c1ccc(C(C)O)c4)=O	449
+CC(C)(C)OC(n1c(-c2cc(c(Cl)cc2)S(=O)(=O)NC3CCCCC3)cc4ccccc14)=O	7601
+CC(C)(C)OC(=O)n1nc(CCCN)c2c1c(ccc2Nc3c(-c4ncccn4)oc5cnccc35)Cl	18
+CC(C)(C)OC(n1c2c(ccc(Nc3c(-c4ncccn4)oc5cnccc35)c2c(CCCN=[N+]=[N-])n1)Cl)=O	133
+CC(C)(C)OC(=O)n1c(C)cc2ccc(S(=O)(=O)C)cc12	593
+CC(C)(C)OC(=O)n1cc(c2ccc(cc12)-c3cc([N+]([O-])=O)cc([N+]([O-])=O)c3)CC(OCC)=O	492
+CC(C)(C)OC(n1c2c(cn1)ccc(c2)NC(=O)c3ccccc3O)=O	67
+c1c(c2c(cc1F)C=3c4c(C(N(C)C=3)=O)[nH]cc4CN2C(=O)OCC)F	2817
+CC(C)(C)OC(=O)n1nc(-c2ccccc2)c3cc(C)c(cc13)N	0
+CC(C)(C)OC(n1ccc2c1ccc(c2Cl)CN)=O	45
+CC(C)(C)OC(=O)n1c2c(c(n1)-c3ccccc3)cc(NS(=O)(=O)c4cc(F)ccc4)cc2	69
+CC(C)(C)OC(=O)n1c2c(cc(O)cc2)cc1C(=O)OCC	16
+C(C)OC(c1cc2cc(ccc2[nH]1)OCCSC)=O	535
+CC(C)(C)OC(n1c2c(cc1)c(C=CC(=O)OCC)ccc2)=O	530
+CC(C)(C)OC(=O)n1c2cccc(c2c(Cl)n1)N	0
+Cc1cc(cc(C)c1S(=O)(=O)N(C)C(Cc2c3c(cccc3)[nH]c2)C)C	535
+C1C(C(=O)OCC)CCCN1c2ccc(Cl)c(-c3nc4c([nH]3)cccc4)c2	4148
+CC(C)(C)OC(=O)n1c2cnc(-n3ncnc3)cc2c(c1)C=CC(OCC)=O	4217
+C1CCN(C1)Cc2nc(c3sc(-c4c(C)n[nH]c4)cc3n2)O	921
+CC(C)(C)OC(n1c2c3C(c4cc(cc(F)c4N(C(OCC)=O)Cc3c1)F)=CN(C)C2=O)=O	1199
+c1(cc(Oc2cc3c(cc2)C(N(CO3)C)=O)cc(OC(COC)C)c1)C(Nc4[nH]ncc4)=O	921
+CC(C)(C)OC(n1c2c(cc1)c(ccn2)NC(C3CCNCC3)=O)=O	62
+CC(C)(C)OC(=O)n1c2c(cccc2cc1)CSC	4218
+CC(C)(C)OC(=O)n1c2c(F)cc(N=C=S)c(C)c2nc1	1695
+CC(C)(C)OC(=O)n1c2c(nc1)c(C)c(N)cc2	0
+CC(C)(C)OC(=O)n1c2c(ccc(c2)Nc3c4nccn4cc(n3)Br)nc1	1638
+C1CN(CCC1)CCCC(=O)Nc2[nH]nc(c2)-c3cnc(OC)cc3	921
+CC(C)(C)OC(=O)n1nc(-c2ccccc2)c3ccc(Nc4ccccc4OC)cc13	230
+CC(C)(C)OC(n1cc(C(NO)=N)c(C)n1)=O	7602
+CC(C)(C)OC(n1c2c(ccc(Nc3c(-c4ncccn4)oc5cnccc35)c2c(CCCOS(=O)(=O)C)n1)Cl)=O	7
+CC(C)(C)OC(=O)n1c2ccc(OC(F)F)cc2c(n1)I	7603
+Cc1c(c([nH]n1)C)-c2cc(Cl)c(cc2)C#N	921
+O=C1N(C=C(c2cn[nH]c2)c3cc(OC)c(OC)cc13)CC	921
+c1(cccc(-c2c[nH]nc2)n1)C(=O)OC	921
+CC(C)(C)OC1CN(S(=O)(=O)c2ccc3c(cccc3)c2)C(CO)C1	118
+c1ccccc1COCC2CC(CN2S(=O)(=O)c3cc4c(cc3)cccc4)O	1041
+CC(C)(C)OC1CC(N(S(=O)(=O)c2cc3c(cc2)cccc3)C1)COCc4ccccc4	21
+CC(C)(C)OC1CC(N(S(=O)(=O)c2cc3c(cc2)cccc3)C1)COCc4ccccc4	149
+CC(C)(C)OCC(COC)(COC)C1CCCCC1	76
+CC(C)(C)OCC1=C(C(C=2C(=O)OC(CC=2N1)c3c(cc(cc3C)C)C)c4cccc(c4)CC(=O)N)C(=O)OCC	83
+CC(C)(C)OCCCON1C(c2c(C1=O)cccc2)=O	1395
+CC(C)(C)OCCCON	670
+CC(C)(C)OCCOCCOCCOCCN	45
+CC(C)(C)OCCOCCOCCOCCOS(=O)(=O)c1ccc(cc1)C	36
+CC(C)(C)OCCOCCOCCOCCN1C(c2c(C1=O)cccc2)=O	2140
+CC(C)(C)OCCONC(=O)C=1C(=C(C(=O)N2CCCC=12)F)Nc3c(F)cc(I)cc3	7604
+c1c(I)cc(c(c1)NC=2C(C(NOCCO)=O)=C3CCCN3C(=O)C=2F)F	1041
+c1c2c(ccc1)nc(-c3cc(cnc3N)-c4cnn(CCO)c4)o2	1041
+CC(C)(C)OCc1c(c(on1)C(C)C)COC	1043
+CC(C)c1onc(CO)c1C(OC)=O	1041
+CC(C)c1onc(CO)c1COc2ccc3c(ccn3Cc4cccc(C(=O)OC)c4)c2	1041
+CC(C)(C)OCc1noc(c1CO)C(C)C	88
+CCOC(c1c(n[nH]c1)CO)=O	1041
+CC(C)(C)OCc1c(c(C(C)C)on1)COc2ccc3c(ccn3Cc4cccc(C(=O)OC)c4)c2	1411
+CC(C)(C)OCc1noc(c1CCl)C(C)C	1703
+CC1(C)N(CCCOCCOCCOC)C(C(C)(C)N1Cl)=O	7605
+FC(F)(F)c1ccc(cc1)CC(=O)C(OCC)OC(C)(C)C	7606
+c1c2ccc(C#N)cc2c(Cl)c(O)c1	7607
+CC(C)(C)ONC(=O)C1(C)C(CCOC1)NS(=O)(=O)c2ccc(cc2)OCc3ccccc3	7608
+CC(C)(C)ON=C1c2cc(ccc2OC(=C1)c3ncn4c(c3)ccc4)OCCCl	72
+CC(C)(C)ON=C1C=C(c2ncn3c(c2)ccc3)Oc4ccc(C(O)=O)cc14	1
+CC(C)(C)ON=C1C=C(c2ncn3c(c2)ccc3)Oc4ccc(C(OC)=O)cc14	833
+FC(F)(F)c1cc2[nH]ncc2c(C(OC)=O)c1	3210
+O(c1cccnc1OCC(OC)=O)C(C)=O	4219
+c1(c(Cl)ncc(OC(=O)C)c1)C	4219
+CC(C)(C)ONC(=O)C1(C)C(CCOC1)NS(=O)(=O)c2ccc(cc2)O	16
+c1cc(ccc1S(=O)(=O)NC2CCOCC2(C)C(=O)NO)OCc3c4c(nc(c3)C)cccc4	4220
+C1CCC(C1)(Sc2ccc(cc2)Oc3ccccc3)CC(=O)NO	4220
+CC(C)(C)[Si](C)(C)OCc1cccc(c1COP(OCC=C)(OCC=C)=O)C	7609
+c1cc(ccc1OC)COC(=O)c2c(COP(OCC=C)(OCC=C)=O)cc(F)cc2	7610
+Fc1c(F)cn(c1)-c2cc(c(cc2)[N+]([O-])=O)O	7611
+CC(C)(C)Oc1ccc(C(O)CNC2CCCC2OCc3ccccc3)c4sc(nc14)OC(C)C	284
+CC(C)(C)Oc1cccc(Cl)c1C=O	1937
+CC(C)(C)Oc1c(C=O)cccc1	39
+C1CC(CCN1CCc2nc(O)cnc2)COc3c(cccc3)F	7612
+CC(C)(C)Oc1ncc(cc1)C(=O)O	1
+CC(C)(C)Oc1ccc(CO)cn1	382
+CC(C)(C)Oc1ncc(C(=O)OC)cc1	272
+CC(C)(C)Sc1c(C=O)cccc1	411
+CC(C)(C)Sc1ccc(Cc2c(C)[nH]c3c2cc(C(=O)OC)cc3)c(c1)Cl	1524
+CC(C)(C)Sc1ccc(cc1)[N+]([O-])=O	411
+CC(C)(C)Sc1n2c(c(ncc2)N)c(Br)n1	7613
+CC(C)(C)S(N=CCC(C(OCC)=O)C)=O	7614
+CC(C)(C)S(=O)N=C(c1c(C#N)c(cc(Cl)c1)F)c2cc(OC)ccc2	4221
+CC(C)(C)S(N=C(c1cccc(c1C#N)F)c2ccc(F)c(Br)c2)=O	4221
+FC(F)(F)c1cc(ccn1)C2(NC(c3c(cc(Cl)cc23)F)=N)c4cc(ccc4)OC	7615
+C1CC2(CCC1OC)Cc3ccc(cc3C2=N)OCCCF	2857
+C1CC2(CCC1OC)Cc3cc(c(Br)cc3C2=N)F	2857
+C1COCCC1C(N)C	499
+FC(F)(F)c1ncc(cc1)C(N)C	499
+CCOC(=O)C(C)CC(c1c(cccc1OCC)F)N	499
+c1(cccc(OC)c1C(CC(C(OCC)=O)C)N)OC	499
+c1cc(ccc1C(C(c2cccc(Cl)c2)CC=C)(C)N)Cl	499
+FC(F)(CO)C1(C2(CC2)COc3ccc(cc13)Br)N	499
+CC(C)(C)S(=O)NC1(C2(CC2)COc3c1cc(Br)cc3)C(F)(F)CO	44
+FC(F)(F)c1cc(C2(c3cccnc3C(=N2)N)c4cc(OCCCF)ccc4)ccc1OC	7616
+c1cc(ccn1)C2(c3cccc(F)c3C(N2)=N)c4ccc(c(Br)c4)F	7617
+c1ncncc1C2(c3cc(c(cc3)F)Br)NC(=N)c4c(F)cccc24	7618
+C1CC12CCc3c(cc(cc3)Br)C2=N	2857
+CC(C)(C)S(=O)NC(c1c(OC)cccc1OC)CC(C(=O)OCC)C	4222
+CC(C)(C)S(NC(CCCC(OC)=O)c1c(OC)cccc1OC)=O	4222
+c1(cc(Br)c(F)cc1F)C(C)(CCO)N	499
+c1cc(ccc1)-c2c(C(N)CC(C)C(OCC)=O)cccc2	499
+O(CC)C(C(C)CC(c1c(cccc1F)OC)N)=O	499
+CC(C)(C)S(NC(c1cc(ncc1)C(N)=O)CC)=O	1200
+n1cc(cc(C(CCC)N)c1)Br	499
+COc1cccc(OC)c1C(CCCC(OC)=O)N	499
+FC(F)(F)C(O)CC(CF)(c1c(ccc(Br)n1)F)N	499
+CCC(c1ccnc(c1)C(=O)N)N	499
+CC(C)(C)S(NC(CC)c1ccnc(c1)C#N)=O	1704
+c1cc(ccc1-c2cc(C(N)C)no2)Cl	499
+CC(C)(C)Sc1c(CC(=O)OCC)[nH]c2ccc(cc12)OC	7619
+CC(C)(C)Sc1c(CC(C)(C)C(=O)OCC)n(Cc2ccc(cc2)Br)c3c1cc(OC)cc3	7620
+CC(C)(C)Sc1ccccc1C=C	443
+FC(F)(F)c1cnc(-c2ccc(cc2)CC(C(=O)OCC)c3c(c4cc(ccc4[nH]3)OC)SC(C)(C)C)cc1	7621
+CC(C)(C)Sc1c2c(n(Cc3ccc(cc3)Br)c1CC(C)(C)C(=O)OCC)ccc(c2)O	5
+CC(C)(C)Sc1ccc(Cc2c([nH]c3ccc(cc23)C(=O)O)C)c(c1)Cl	1
+CC(C)(C)Sc1ccc(c(c1)Cl)Cc2c3c(ccc(c3)C(NS(=O)(=O)CCCCC)=O)[nH]c2C	258
+CC1(C)OB(OC1(C)C)c2ccc(cc2)SC(C)(C)C	585
+CC(C)(C)Sc1ccc(cc1)NCCC(=O)OCC	7622
+CC(C)(C)Sc1ccc(cc1)N2CCC(O)=C(C2=O)C#N	4223
+CC(C)(C)Sc1ccc(cc1)N(CCC(OCC)=O)C(=O)CC#N	429
+CC(C)(C)Sc1ccc(cc1)N	0
+CC(C)(C)NC(=O)C(CCC=C)(C1CCC(CC1)C2(OCCO2)c3ccc(cc3)Cl)NC(C)=O	2433
+CC(C)(C)[SiH2]OC(C)(C)C1CCC(CC1)COS(=O)(=O)C	7
+CC(C)(C)[SiH2]OC(C)(C)C1CCC(CC1)CC#N	300
+CC(C)(C)[SiH2]OC(C)(C)C1N(c2cc(cnc2)-c3ccc4c(CCC(=O)N4C)c3)CCC1	156
+CC(C)(c1c(ccc(CNC(=O)CC)c1)Cl)O	1412
+CC(C)(C)[SiH2]OC(C)(C)c1cc(C2(OCCO2)C)ncc1	7623
+C1COC(O1)(C)c2cc(C(C)(C)O)ccn2	1412
+CC(C)(C)[SiH2]OC(C)(C)c1cc(ccc1Cl)CN	817
+CC(C)(C)[SiH2]OC(C)(C)c1cc(ccc1Cl)C=NO	135
+CC(C)(C)[SiH2]OC(C)(C)c1c(Cl)ccc(CNC(=O)CC)c1	68
+CC(C)(C)[SiH2]OC(C)(C)c1cc(nc(Nc2ncc(C#N)s2)c1)Cl	1178
+CC(C)(C)[SiH2]OCc1cc(Nc2ncc(C#N)s2)nc(Cl)c1	2696
+CC(C)(C)[SiH2]OC(C)(C)c1cccc(n1)C(O)C	1394
+CC(C)(C)[SiH2]OC(C)(C)c1cccc(C(C)=O)n1	955
+CC(C)(C)[SiH2]OC(C)(C)c1cc(C(=O)C)ncc1	7624
+CC(C)(C)[SiH2]OC(C)(C)c1cccc(n1)C(O)C	4224
+CC(C)(C)[SiH2]OC(C)(C)c1nc(C=O)ccc1	178
+n1c(Nc2cc(CO)cc(Cl)n2)sc(c1)C#N	1412
+CC(C)(C)[Si](C)(C)OCc1cccc(c1)-c2cnc(N)cc2	7625
+CC(C)(C)[Si](C)(C)C#Cc1c(cc(Br)cn1)F	961
+CC(C)(C)[Si](C)(C)C#Cc1ncc(cc1F)-c2ccc(cc2)Cl	2056
+c1cc(ccc1Cl)-c2cc(c(C#C)nc2)F	7626
+CC(C)(C)[Si](C)(C)CCCOCC(CN)O	906
+CC(C)(C)[Si](C)(C)OC1C2CCC(C(CCO[Si](C)(C)C(C)(C)C)=C)C2(CCC1)C	19
+CC(C)(C)[Si](C)(C)OCc1ccc(C(C)(C)C)c(c1)[N+]([O-])=O	19
+CC(C)(C)c1nn(c(N)c1)CCO[Si](C)(C)C(C)(C)C	19
+CC(C)(C)c1nc(c2c[nH]nc2n1)N3CC(O[Si](C)(C)C(C)(C)C)CC3	19
+CC(C)(C)[Si](C)(C)OCC(C)(C)CCC#N	19
+CC(C)(C)[Si](C)(C)OCC(C)(C)CO	19
+CC(C)(C)[Si](C)(C)OCC(N)CC(C)(C)F	19
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)C(C)(C)O	19
+CC(C)(C)[Si](C)(C)OCC(C(C)C)N1c2cc(c(Br)cc2C(=O)C(=C1)C(OCC)=O)OC	19
+CC(C)(C)[Si](C)(C)OCC(COC(C)C)O	19
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)Sc2cc3C=C(C)C(C)(C)Oc3cc2	154
+CC(C)(C)[Si](C)(C)OC1CCC2(C)C(C1(C)C)CCC=3C4=CCC(C(C)CCC(=O)OC)C4(C)CCC2=3	19
+CC(C)(C)[Si](C)(C)OCCC(O)C1=CC(N(C=C1)C2=CC(C)(C)Oc3c2cc(C#N)cc3)=O	19
+CC(C)(C)[Si](C)(C)OC(C)C1NC(C)(C)CC(=O)C1	19
+CC(C)(C)[Si](C)(C)OCCCc1c(Br)cc2C(C)(C)CCC(C)(C)c2c1	19
+CC(C)(C)[Si](C)(C)OC1CC(C)CC(c2ccncc2[N+]([O-])=O)=C1	947
+CC(C)(C)[Si](C)(C)OCCC(O)CCCCCCCCCCC	19
+CC(C)(C)[Si](C)(C)OCC(O)CN(C)C	19
+CC(C)(C)[Si](C)(C)Oc1c(NC(=S)Nc2cccc(c2Cl)F)ccc(Cl)c1S(=O)(=O)N(C)C	154
+CC(C)(C)[Si](C)(C)Oc1c(c(Cl)ccc1NC(Nc2cccc(F)c2F)=S)S(=O)(=O)N(C)C	154
+CC(C)(C)[Si](C)(C)Oc1c(c(Cl)ccc1NC(Nc2c(cccc2)Cl)=S)S(=O)(=O)N(C)C	154
+CC(C)(C)[Si](C)(C)Oc1cc(C)ccc1Cl	154
+CC(C)(C)[Si](C)(C)OCC(Nc1c([N+](=O)[O-])c(Cl)nc(c1C)C)C	19
+CC(C)(C)[Si](C)(C)OCCSc1ccc(c(C)n1)[N+]([O-])=O	19
+CC(C)(C)[Si](C)(C)Oc1cc(Br)c(Cl)cc1	154
+CC(C)(C)[Si](C)(C)OCc1cc(cc(Cl)c1)C(=O)OC	19
+CC(C)(C)[Si](C)(C)OCC(O)c1ccc(Cl)c(F)c1	19
+CC(C)(C)[Si](C)(C)OCc1n(c2ccc(cc2c1)Cl)CCCSC	19
+CC(C)(C)[Si](C)(C)OC(c1cccc(Cl)c1)C(=O)OC	4225
+CC(C)(C)[Si](C)(C)OC(c1cc(ccc1)Cl)C=C	947
+CC(C)(C)[Si](C)(C)OCCC(C(O)=O)Cn1cc(cn1)Cl	19
+CC(C)(C)[Si](C)(C)OCc1cc(Cl)ncc1	19
+CC(C)(C)[Si](C)(C)OCC1C(CC(N2C(NC(=O)C(C#CCNC(=O)C(F)(F)F)=C2)=O)O1)O	19
+FC(F)(F)c1cc(c(cc1)N2CCCC(C2)O[Si](C)(C)C(C)(C)C)[N+](=O)[O-]	19
+CC(C)(C)[Si](C)(C)OCC(=O)N1C(C(=O)N)CC(C1)F	1952
+CC(C)(C)[Si](C)(C)OC(COC(c1ccccc1CCC(=O)OC)C)CN2C(CCC2)Cc3cc(F)c(C)cc3	19
+CC(C)(C)[Si](C)(C)OCCc1ccccc1F	19
+CC(C)(C)[Si](C)(C)OCCc1ccccc1C#N	19
+CC(C)(C)[Si](C)(C)OC1C2=NC(C)=C(C(=O)N2CCC1)CCCl	19
+CC(C)(C)[Si](C)(C)OC1C(C(OCOC)CC=2C1CON=2)OC(OC)=O	19
+CC(C)(C)[Si](C)(C)Oc1cc(c(N)cc1)[N+]([O-])=O	154
+CC(C)(C)[Si](C)(C)OCc1ncc(Br)c(c1C)OC	19
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1OC)C(C)=O)OC	154
+CC(C)(C)[Si](C)(C)OC(CC(C)=O)CC(OC)=O	19
+CC(C)(C)[Si](C)(C)OC1CCN(C(Nc2c(C)c(Cl)c(C#N)cc2)=O)C1C(=O)OC	19
+CC(C)(C)[Si](C)(C)OCCNC=C(C(=O)OCC)C(c1c(c(cc(c1)I)F)F)=O	19
+CC(C)(C)[Si](C)(C)OCCCON1C(c2c(C1=O)cccc2)=O	19
+CC(C)(C)[Si](C)(C)Oc1c(C=O)cccc1	154
+CC(C)(C)[Si](C)(C)Oc1c2nc(C=O)ccc2ccc1	2858
+CC(C)(C)[Si](C)(C)OC(CI)c1ccc(c(NS(=O)(=O)C)c1)OCc2ccccc2	19
+CC(C)(C)[Si](C)(C)OCCCNc1ccc(NS(=O)(=O)c2ccc(cc2)NC(C)=O)cc1[N+]([O-])=O	19
+CC(C)(C)[Si](C)(C)OC(C)CN	19
+CC(C)(C)[Si](C)(C)OC(CCl)CC(OC)=O	19
+CC(C)(C)[Si](C)(C)OCCCC(O)c1cscc1	19
+CC(C)(C)[Si](C)(C)OC1CC2C(C)(C3CCC4(C(c5ccoc5)CCC4(C3CC2)O)C)CC1	19
+CC(C)(C)[Si](C)(C)OCC1(CC1)CO	19
+CC(C)(C)[Si](C)(C)OCCO	19
+CC(C)(C)[Si](C)(C)OCCOCCO	19
+CC(C)(C)[Si](C)(C)OCc1ccc(c(n1)NC)C	19
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)N	19
+CC(C)(C)[Si](C)(C)OCCOc1cc(c(cc1)[N+](=O)[O-])C	19
+CC(C)(C)[Si](C)(C)OCCc1cc(C)cs1	19
+CC(C)(C)[Si](C)(C)OCc1cc(cs1)C	19
+CC(C)(C)[Si](C)(C)OCC1CCCN(c2ccccc2C=O)C1	19
+CC(C)(C)[Si](C)(C)OCCSCc1ccnc(Nc2ncc(F)c(c2)-c3c(OC)cc(cc3)F)c1	19
+CC(C)(C)[Si](C)(C)OCc1nc(Cl)cc(OC)c1	19
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)-c2ccccc2[N+]([O-])=O	154
+CC(C)(C)[Si](C)(C)OCc1cc(-c2cc([N+](=O)[O-])ccc2F)ccc1	19
+CC(C)(C)[Si](C)(C)Oc1c(cc(F)c(c1)F)OC	154
+CC(C)(C)[Si](C)(C)OCCc1ccsc1Br	19
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(-c2cccc(C=O)c2)c(c1Cl)C	154
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1OC)C=O	154
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(C)c1)Br	154
+CC(C)(C)[Si](C)(C)OCC1=Cn2ccc(c2C(N1)=O)C	947
+CC(C)(C)[Si](C)(C)OC1CN2C(c3ccccc3NC(C2C1)=O)=O	19
+CC(C)(C)[Si](C)(C)Oc1ccc2cc([nH]c2c1)C(=O)O	154
+CC(C)(C)[Si](C)(C)OC(C)C(Nc1ccc(c(Cl)c1C)C#N)C(NNC(c2ccc3c(c2)cc[nH]3)=O)=O	19
+CC(C)(C)[Si](C)(C)Oc1cccc2ccc(nc12)C	2858
+CC(C)(C)[Si](C)(C)Oc1ccc2cn[nH]c2c1	154
+CC(C)(C)[Si](C)(C)Oc1ccc(Br)c2ccccc12	154
+CC(C)(C)[Si](C)(C)OC(CNCc1occc1)Cn2c3ccccc3c4c2cccc4	19
+CC(C)(C)[Si](C)(C)OCCc1c[nH]c2c1c(nc(n2)SC)Cl	19
+CC(C)(C)[Si](C)(C)Oc1c(NC(=S)Nc2c(Br)cccc2)ccc(c1)C#N	154
+CC(C)(C)[Si](C)(C)OCc1nc(Br)ccc1	19
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)C#N	154
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(c1)C)C=O	154
+CC(C)(C)[Si](C)(C)OCc1cc(C)c(Br)cc1	19
+CC(C)(C)[Si](C)(C)OCc1c2c(ccc1)C(=O)CCN2CC	19
+CC(C)(C)[Si](C)(C)OCc1cc(cc(Br)c1)CO	19
+CC(C)(C)[Si](C)(C)OCc1cc2c(n[nH]c2C(OC)=O)cc1	19
+CC(C)(C)[Si](C)(C)Oc1c(cc(Oc2c(cc(cc2Cl)[N+](=O)[O-])Cl)cc1)C(C)C	154
+CC(C)(C)[Si](C)(C)OCc1cccc(c1)N	19
+CC(C)(C)[Si](C)(C)Oc1cccc(N)c1	154
+CC(C)(C)[Si](C)(C)Oc1cccc(O)c1	154
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1OC)C2c3cc4OCOc4cc3C(C5C(=O)OCC25)N)OC	154
+CC(C)(C)[Si](C)(C)Oc1ccc(c(Br)c1)[N+]([O-])=O	154
+CC(C)(C)[Si](C)(C)Oc1cc(cc(F)c1)Br	154
+CC(C)(C)[Si](C)(C)OCc1cc2c(n1C)ccc(Br)c2	19
+CC(C)(C)[Si](C)(C)Oc1ccc(C(C)=O)cc1CC	154
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1F)F	154
+CC(C)(C)[Si](C)(C)OCC1C(O)Cc2ccccc12	19
+CC(C)(C)[Si](C)(C)OCCCc1c[nH]c2ccccc12	19
+CC(C)(C)[Si](C)(C)Oc1cc2c([nH]nc2)cc1	154
+CC(C)(C)[Si](C)(C)Oc1ccc2c(cc[nH]2)c1	154
+CC(C)(C)[Si](C)(C)Oc1c(Br)ccc2ccc(C)nc12	2858
+CC(C)(C)[Si](C)(C)OCc1ccc(c(c1)[N+]([O-])=O)C(=O)OC	19
+CC(C)(C)[Si](C)(C)OCc1c2cccc(C)c2c(OCOC)cc1	19
+CC(C)(C)[Si](C)(C)OCc1cccc(C)c1CO	19
+CC(C)(C)[Si](C)(C)OCCSc1ccc2NCCc2c1	19
+CC(C)(C)[Si](C)(C)OC(c1ncco1)C2CCc3cc(ccc3C2)-c4ccccc4	19
+CC(C)(C)[Si](C)(C)OCCCCCCCCOc1cc([N+]([O-])=O)c(cc1)-c2ccccc2	19
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)C(OCC)=O	4225
+CC(C)(C)[Si](C)(C)OCC(CO)c1ccccc1	19
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCC(O[Si](C)(C)C(C)(C)C)CC(C(=O)O)CCCCCCC	19
+CC(C)(C)[Si](C)(C)OCCN(Cc1ccccc1)CCC2OCCO2	19
+CC(C)(C)[Si](C)(C)OCCCC1NCCN(C1)Cc2ccccc2	19
+CC(C)(C)[Si](C)(C)OCCC(O)C1N(CCC1)C(C2CCCN2C(NCc3ccccc3)=O)=O	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)CCC(=O)OCc2ccccc2	154
+CC(C)(C)[Si](C)(C)OC1C(CN(C(=O)OCc2ccccc2)C1)N	19
+CC(C)(C)[Si](C)(C)OCC(Nc1nc(ccc1[N+]([O-])=O)OC)COCc2ccccc2	19
+CC(C)(C)[Si](C)(C)OCC(O)COCc1ccccc1	19
+CC(C)(C)[Si](C)(C)OCCC(Oc1ccccc1)C(O)=O	19
+CC(C)(C)[Si](C)(C)OCCCc1ccc(cc1)Br	19
+CC(C)(C)[Si](C)(C)OC(C(Nc1ccc(c(Cl)c1)C#N)C(NNC(c2ccc(cc2)C#N)=O)=O)C	19
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C(=O)O	19
+CC(C)(C)[Si](C)(C)OCC(c1ccc(cc1)Br)C	19
+CC(C)(C)[Si](C)(C)OCC(c1ccc(cc1)Cl)O	19
+CC(C)(C)[Si](C)(C)OCCOCc1ccc(cc1)C(OC)=O	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2c3c(C(C2C(OCC)=O)=O)cccc3	154
+CC(C)(C)[Si](C)(C)OCC(Cc1ccc(cc1)Br)C	19
+CC(C)(C)[Si](C)(C)OC(c1cccc(N2C(=O)C(Cc3ccc(cc3)-c4ccccc4C#N)=C(N=C2C)CCCC)c1)C	19
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)Br	19
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)F	19
+CC(C)(C)[Si](C)(C)OCC(c1c(F)ccc(c1)Br)(NCc2ccc(cc2)OC)C	19
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C=O	19
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)O	19
+CC(C)(C)[Si](C)(C)OC1CC(C(OC)=O)N(C(OCc2ccc(cc2)OC)=O)C1	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)Cc2c(sc(c2)Br)Cl	154
+CC(C)(C)[Si](C)(C)OC(Cc1ccc(cc1)F)CCC2NC(CC2)=O	19
+CC(C)(C)[Si](C)(C)OC(C)C(Nc1ccc(c(Cl)c1C)C#N)C(NNC(=O)c2ccc(cc2)I)=O	19
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)I	19
+CC(C)(C)[Si](C)(C)OCCCc1c(nc2ccnn2c1Nc3ccc(cc3)OCC)Cl	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2C(C(OCC)=O)N(C(=O)C2)C	154
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)O	154
+CC(C)(C)[Si](C)(C)OC(CC=C)CCC1C(c2c(ccc(c2OC1)F)F)S(=O)(=O)c3ccc(cc3)Cl	19
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)[N+](=O)[O-]	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)[N+]([O-])=O	154
+CC(C)(C)[Si](C)(C)Oc1c(c(cc(N2C(c3c(C2=O)cccc3)=O)c1)C(=O)OCc4ccc(cc4)[N+]([O-])=O)C	154
+CC(C)(C)[Si](C)(C)OCCc1ccncc1	19
+CC(C)(C)[Si](C)(C)OCc1ccncc1	19
+CC(C)(C)[Si](C)(C)OCC1(c2c(-c3c1cccc3)cccc2)COC	19
+CC(C)(C)[Si](C)(C)OCCCSc1c(C#N)cnc2c1cc(cc2)I	19
+CC(C)(C)[Si](C)(C)OCc1[nH]c2ncccc2c1	19
+CC(C)(C)[Si](C)(C)Oc1c2cc[nH]c2ccc1	154
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)N2C(=O)c3ccccc3C2=O	19
+CC(C)(C)[Si](C)(C)OCCSc1c2c(ccc(c2)F)nc(CC)c1-c3ccccc3	19
+CC(C)(C)[Si](C)(C)OCC(C)(C)c1cc(N)n(-c2ccccc2)n1	19
+CC(C)(C)[Si](C)(C)OCCC(c1ccccc1)(CCCl)O	19
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CCO[Si](C)(C)C(C)(C)C)O	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C(Cc2ccccc2)=O	154
+CC(C)(C)[Si](C)(C)OCCOc1ccc(cc1)C(CCc2ccccc2)=O	19
+CC(C)(C)[Si](C)(C)OCCc1cc([N+](=O)[O-])cc(F)c1N(Cc2ccccc2)C	19
+CC(C)(C)[Si](C)(C)OCCC1N(Cc2ccccc2)C(C(OC1)C)=O	19
+CC(C)(C)[Si](C)(C)OCC1(N)CC(N(CC1)C(=O)OCc2ccccc2)C	19
+CC(C)(C)[Si](C)(C)OCC(C)NC(=O)OCc1ccccc1	19
+CC(C)(C)[Si](C)(C)OC1CN(C(OCc2ccccc2)=O)C(C(O)=O)C1	19
+CC(C)(C)[Si](C)(C)OCCCNC(OCc1ccccc1)=O	19
+CC(C)(C)[Si](C)(C)OCC(O)c1cc(NC(=O)OCc2ccccc2)ccc1	19
+CC(C)(C)[Si](C)(C)OCC=1CC(CCOCc2ccccc2)CCC=1	947
+CC(C)(C)[Si](C)(C)OCC(C)CCCOCc1ccccc1	19
+CC(C)(C)[Si](C)(C)OC(c1ccc(c(c1)C(OC)=O)OCc2ccccc2)CBr	19
+CC(C)(C)[Si](C)(C)OCC(O)Cc1ccc2CCCc2c1OCc3ccccc3	19
+CC(C)(C)[Si](C)(C)OCCNc1c2c(ncc1[N+](=O)[O-])cc(OCc3ccccc3)cc2	19
+CC(C)(C)[Si](C)(C)Oc1c(cc(OCc2ccccc2)cc1)Br	154
+c1ccccc1COc2cncc(OCc3ccccc3)c2CO[Si](C)(C)C(C)(C)C	19
+CC(C)(C)[Si](C)(C)OCC(Cc1oc(cc1)C(Nc2ccccc2)=O)C(O)C	19
+CC(C)(C)[Si](C)(C)OCCNc1ccccc1	19
+CC(C)(C)[Si](C)(C)OC(C([N+]([O-])=O)C)c1cn2c(cc1)ncn2	19
+CC(C)(C)[Si](C)(C)OCc1ccc(C)c(Nc2ccnc(Cl)n2)c1	19
+CC(C)(C)[Si](C)(C)OCc1ccc(N)nc1	19
+CC(C)(C)[Si](C)(C)OCc1cnc(nc1)Nc2ccccc2	19
+CC(C)(C)[Si](C)(C)OCCn1ncc2C(=O)CCCc12	19
+CC(C)(C)[Si](C)(C)OCCc1c(Cl)nc2ccnn2c1Cl	19
+CC(C)(C)[Si](C)(C)N1CCN(CC1)CCC#N	987
+c1cc(ccc1Cc2c(C)nc3c(c2C)c(ccc3Cl)CC(=O)OC)Cl	7627
+CC(C)(C)[Si](C)(C)OC(C(NC(=O)OC(C)(C)C)C(C)C)CC(O)=O	4
+CC(C)(C)[Si](C)(C)OC(C(CO)C)C1COC(C)(C)O1	2859
+CC(C)(C)[Si](C)(C)OC(C1COC(C)(C)O1)C(CN=[N+]=[N-])C	3422
+FC(F)(F)C(O)CC(C)(C)c1ccccn1	35
+CC(C)(C)[Si](C)(C)OC(C(NC(Nc1cccc(C)c1)=O)C)c2ccc3ncnn3c2	282
+N(C(Nc1cccc(C)c1)=O)C(C)C(c2ccc3n(ncn3)c2)O	35
+CC(C)(C)[Si](C)(C)OC(C)C(c1nnc(o1)-c2ccc(cc2)C#N)Nc3cc(Cl)c(C#N)cc3	877
+CC(C)(C)[Si](C)(C)OC(C(N)C)c1cn2c(ncn2)cc1	157
+CC(C)(C)[Si](C)(C)OC(C)(C)C1COCc2n1c3c(cnc4ccccc34)n2	2860
+CC(C)(C1COCc2nc3c(c4ccccc4nc3)n12)O	35
+CC(C)(C)[Si](C)(C)OC(C)(C)CC(=O)NC(C#N)c1cc(ccc1OC)Cl	9
+CC(C)(C)[Si](C)(C)OC(C)(C)Cn1c2c(cn1)cc(cc2)Oc3ccc(cc3CN)F	107
+CC(C)(C)[Si](C)(C)OC(C)C(Nc1ccc(c(Cl)c1C)C#N)c2nnc(o2)-c3cc4c([nH]cc4)cc3	1705
+c1cc(ccc1-c2oc(C(Nc3ccc(C#N)c(Cl)c3)C(C)O)nn2)C#N	35
+c1cc(ccc1)CN2C(C(OCC2C(O)C)C)=O	35
+CC(C)(C)[Si](C)(C)OC(C1CC(O)CC(C)(C)N1)C	100
+CC(C)(C)[Si](C)(C)OC(C)CNc1ccc(c(C#N)c1)OC	250
+CC(C)(C)[Si](C)(C)OC(CONC(=O)C1=C(Nc2c(F)cc(Br)cc2)N(C(C=C1)=O)C)C	7628
+CC(C)(C)[Si](C)(C)OC(C1CC(Oc2ccc(-c3c(OC)cc(-n4nccc4)cc3)nn2)CC(C)(C)N1)C	485
+CC(C)(C)[Si](C)(C)OC(C(CN=[N+]=[N-])C)C(CO)O	265
+c1ccccc1Oc2cc3CCC(Cc3cc2)C(O)c4ncc(-c5cccc(C(=O)OC)n5)o4	35
+CC(C)(C)[Si](C)(C)OC(CNC(C)COc1ccc(cc1)CC(=O)OC)c2ccccc2	110
+CC(C)(C)[Si](C)(C)OC(Cc1cc(-c2ccccc2)ccc1)CCC3CCC(N3CCCc4ccc(cc4)C(=O)OC)=O	638
+CC(C)(C)[Si](C)(C)OC(CCC1CCC(N1CCCc2ccc(cc2)C(OC)=O)=O)Cc3cc(F)ccc3	638
+CC(C)(C)[Si](C)(C)OC(CCCC(C=CC1C(OC2CCCCO2)CC(Cl)C1CCCc3ccc(C(OC)=O)s3)O)C	1565
+C1(CC(C(C=CC(O)CCCC(O)C)C1CCCc2sc(C(=O)OC)cc2)OC3OCCCC3)Cl	35
+OB(O)c1ccc(cc1)OC(C(O)CCc2cnccc2)C	35
+CC(C)(C)[Si](C)(C)OC(CCc1cnccc1)C(Oc2ccc(cc2)B(O)O)C	579
+CC(C)(C)[Si](C)(C)OC(CCc1cnccc1)C(Oc2ccc(cc2)B(O)O)C	281
+CC(C)OB(OC(C)C)c1ccc(cc1)OC(C(CCc2cnccc2)O[Si](C)(C)C(C)(C)C)C	585
+CC(C)(C)[Si](C)(C)OC(CC=O)CCl	59
+FC(F)(F)C(Nc1ccc(cc1)C#CCCCNCC(c2c3c(nc(O)cc3)c(O)cc2)O[Si](C)(C)C(C)(C)C)=O	132
+CC(C)(C)[Si](C)(C)OC(c1c2c(nc(O)cc2)c(O)cc1)CNCC3(CCN(CC3)CCCOCCc4ccccc4)O	122
+c1cc(ccc1CC(=O)OC)OCC(C)NCC(c2ccccc2)O	35
+CC(C)(C)[Si](C)(C)OC(COC(c1c(cccc1)CC(C)(C)C(=O)OC)C)CN2C(CCC2)Cc3cc(F)c(C)cc3	1389
+CC(C)(Cc1c(C(C)OCC(CN2C(CCC2)Cc3cc(F)c(C)cc3)O)cccc1)C(=O)OC	35
+CC(C)(C)[Si](C)(C)OC(COC(C)c1c(cccc1)CC(C)C(=O)OC)CN2C(CCC2)Cc3cc(F)c(C)cc3	2544
+c1c(cc(c(NC2=C(C=CC(=O)N2C)C(NOCC(O)C)=O)c1)F)Br	35
+CC(C)(C)[Si](C)(C)OC(CCC1CCC(N1CCCc2ccc(cc2)C(=O)OC)=O)Cc3ccc(cc3)F	638
+CC(C)(C)[Si](C)(C)OCCc1ccc(CCO)s1	21
+c1ccccc1CCOCCCN2CCC(CC2)(O)CNCC(O)c3ccc(O)c4nc(O)ccc34	35
+c1(cc(ccc1)C(O)CC(CC=C)O)Br	35
+COC(OC)c1nc2c(CCCN2C(Nc3ncc(C#N)c(NCCOC)c3)=O)cc1C(O)C	35
+CC(C)(C)[Si](C)(C)OC(c1cc2c(nc1C(OC)OC)N(C(Nc3ncc(C#N)c(NCCOC)c3)=O)CCC2)C	2861
+CC(C)(C)[Si](C)(C)OC(CBr)c1cc(CO)c(OCc2ccccc2)cc1	98
+CC(C)(C)[Si](C)(C)OC(c1ccc(cc1)C(NO)=N)CN2CC(C(OCC)=O)CCC2	253
+CC(C)(c1ccccc1CCC(c2cccc(C=Cc3nc4c(ccc(Cl)c4)cc3)c2)O)OC5OCCCC5	35
+CC(C)(C)[Si](C)(C)OC(C=O)c1ccccc1	578
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(F)CC(O)CC2	118
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(CC(CC2)OS(=O)(=O)C)F	7
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCO	347
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCNc2c([N+]([O-])=O)cnc3ccccc23	105
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCN	18
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCNc2c(cnc3ccccc23)N	13
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCN=[N+]=[N-]	133
+CC(C)(C)[Si](C)(C)OC1(CCN(CC1)C(=O)OC(C)(C)C)c2nc(cn2CCO)-c3ccc(c(C)c3)F	168
+CC(C)(C)[Si](C)(C)OC1CCN(Cc2ccc(cc2)C)C1=O	806
+CC(C)(C)[Si](C)(C)OC1CCN(C1=O)Cc2ccc(cc2)Cl	806
+CC(C)(C)[Si](C)(C)OC1COC(c2cnccc2)C1CCC(=O)O	4
+CC(C)(C)[Si](C)(C)OC1COC(c2cccnc2)C1C=CC(OC)=O	1667
+CC(C)(C)[Si](C)(C)OC1CC(N)CC1COCc2ccccc2	18
+CC(C)(C)[Si](C)(C)OC1CC(Oc2cc(ncn2)NC3C(OC)Cc4c3cccc4)CC1CO	35
+CC(C)(C)[Si](C)(C)OC1C(CN(C(OCc2ccccc2)=O)C1)Nc3cc(c(-c4ccc(nc4OC)C(C)C)nc3)C	3526
+CC(C)(C)[Si](C)(C)OC1CN(CC1C=C)C(OC(C)(C)C)=O	2800
+CC(C)(C)[Si](C)(C)OC1C(CC(Oc2cc(NC3c4ccccc4CC3OC)ncn2)C1)CO[Si](C)(C)C(C)(C)C	40
+CC(C)(C)OC(NC1(C(CCC1)O)CNc2ccc(c(c2C)Cl)C#N)=O	35
+CC(C)(C)[Si](C)(C)OC1C(NC(=O)OC(C)(C)C)(CCC1)CNc2c(c(c(cc2)C#N)Cl)C	291
+C1CC(CCC1)NC(=O)NC2COC3C(COC23)O	35
+CC(C)(O)CCCC(C)C1C2(C)C(CCC1)C(O)CCC2	35
+CC(C)(C)[Si](C)(C)OCCC1(C2C3(C)C(CC2)C(CCC3)O[Si](C)(C)C(C)(C)C)CC1C(OCC)=O	7629
+CC(C)(C)[Si](C)(C)OC1C=C(CC=C)C(C1)(O)C	7630
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)OCc2ccc(cc2)OC)C(C(O)=O)C1	4
+CC(C)(C)[Si](C)(C)OC1CC(C)CC(c2ccncc2N)=C1	13
+CC(C)(C)[Si](C)(C)OC1CC(C1)=O	86
+CC(C)(C)[Si](C)(C)OC1CCC(N2c3nc(ncc3CN(c4ccc(cc4)CC)C2=O)Cl)C1	7631
+CC(C)(C)[Si](C)(C)OC1CCCC(N2C(=O)C=CC(c3c4ccccn4nc3-c5ccccc5)=N2)C1	4226
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)OCC=C)C(CCCOS(=O)(=O)C)C1	7
+c1cc(ccc1)COC(N2CC(CC2C(=O)OC(c3ccccc3)C(=O)c4ccccc4)O)=O	35
+CC(C)(C)[Si](C)(C)OC1CC(Nc2nc(nc(n2)Cl)NC3C(OC)Cc4ccccc34)CC1COCc5ccccc5	387
+c1cc(ccc1CC)N2C(N(C3CC(O)CC3)c4nc(Nc5ccc(cc5)F)ncc4C2)=O	35
+c1cc(ccc1)C(=O)N2C(C(=CN(C3CC(O)CCC3)C2=O)C)=O	35
+CC(C)(C)[Si](C)(C)OC1CCC2(C3C(C4(C(C)(C(CC4)c5cocc5)CC3)OC)CCC2C1)C	76
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)Nc2ccccc2I	231
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)COS(=O)(=O)c2ccc(cc2)C	36
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)n2c3c(cccc3)cc2C4CC4	4227
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)Nc2nc3N(Cc4ccccc4)C(=O)N(Cc3cn2)c5ccccc5Cl	7632
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)c2c(ccc(C(=O)O)n2)F	1
+C1CC(CCC1n2c(cc3c2cccc3)C4CC4)O	35
+CC(C)(C)[Si](C)(C)OC1CC(CC1)Nc2c(CNc3ccc(cc3)CC)cnc(n2)Cl	40
+CC(C)(C)[Si](C)(C)OC1CC(N2C(=O)N(c3ccc(cc3)CC)Cc4c2nc(Nc5ccc(cc5)F)nc4)CC1	55
+CC(C)(C)[Si](C)(C)OC1CCC(N)C1	18
+CC(C)(C)[Si](C)(C)OC1CCC2(C)C(C1(C)C)CCC=3C4=CCC(C(CCC(=O)O)C)C4(CCC2=3)C	4
+CC(C)(C)[Si](C)(C)OC1CCC2(C)C(C1(C)C)CCC=3C=4C(CCC2=3)(C)C(C(C)CCCNc5ccccc5)CC=4	4228
+c1cc(ccc1)NCCCC(C)C2C3(C(C4=C(CC3)C5(CCC(C(C)(C)C5CC4)O)C)=CC2)C	35
+C1C2C(CCC(O)C2)(C3C(C1)C4(C(C)(C(c5ccoc5)CC4)CC3)OC)C	35
+c1ccccc1-c2nn3c(c2C4=NN(C(=O)C=C4)C5CC(O)CCC5)cccc3	35
+CC(C)(C)[Si](C)(C)OC1CC(N2C=C(C(N(C2=O)C(=O)c3ccccc3)=O)C)CCC1	4229
+CC(C)(C)[Si](C)(C)OC1CCCC2(C1CCCC2=CC)C	3691
+CC(C)(C)OC(N1CCNC2C(O)CCCC12)=O	35
+CC(C)(C)[Si](C)(C)OC1CN(CCC1)c2c(cc(cc2)C(F)(F)F)NC(c3cc(ccc3F)I)=O	50
+CC(C)(C)[Si](C)(C)OC1CCN(C(Nc2c(C)c(Cl)c(C#N)cc2)=O)C1COC	21
+CC(C)(C)[Si](C)(C)OC1CCN(C1CO)C(=O)Nc2c(C)c(Cl)c(C#N)cc2	88
+CC(C)(C)[Si](C)(C)OC1CCN(C1)c2ncc(N3C=CC(OS(=O)(=O)c4ccc(cc4)Br)=CC3=O)cc2	7633
+CC(C)(C)[Si](C)(C)OC1CCN(C1)c2ncc(N3C=CC(O)=CC3=O)cc2	923
+c1cc(ccc1CN2CCC(O)C2=O)Cl	4230
+Cc1cc(cc(C)c1NC(c2cc(N3CCC(CC3)O)nc4ccccc24)=O)C(OC)=O	35
+CC(C)(C)[Si](C)(C)OC1CCN(CC1)c2cc(c3c(cccc3)n2)C(=O)Nc4c(C)cc(cc4C)C(OC)=O	286
+CC(C)(C)[Si](C)(C)OC1CCc2c(-c3cnc(-c4ccc(c(C#N)c4)OC(C)C)s3)cccc12	57
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(-c3c4CCC(O)c4ccc3)s2	35
+C1CCN(C1)CC#CCN2CC(O)CC2=O	35
+CC(C)(C)[Si](C)(C)OC1CN(C(OCC=C)=O)C(CCCn2cncc2)C1	1193
+CC(C)(C)[Si](C)(C)OC1CC(N(C(=O)OCc2ccc(cc2)OC)C1)CO	21
+CC(C)(C)OC(=O)N1CC(CNc2c3nccnc3cc(Cl)n2)CC(C1)O	35
+C1C(CC(CCCn2ccnc2)N1C(OCC=C)=O)O	35
+CC(C)(C)[Si](C)(C)OC1CC(N(C(OCc2ccccc2)=O)C1)C(=O)OC(c3ccccc3)C(c4ccccc4)=O	4231
+CC(C)(C)[Si](C)(C)OC1CNC1	62
+c1cc(ccc1C(NC(C)=O)C)N2CC(C2)O	35
+CC(C)(C)[Si](C)(C)OC1CN(CC1)c2c(cc(N)cc2)F	0
+CC(C)(C)OC(=O)N1CC(C(O[Si](C)(C)C(C)(C)C)C1)CC	732
+CC(C)(C)[Si](C)(C)OC1CNCCC1N2CCOCC2	62
+c1ccccc1SCC(Nc2c3ccc(nc3ccc2Cl)N4CC(O)CC4)=O	35
+CC(C)(C)[Si](C)(C)OC1CN(c2ccc3c(c(ccc3n2)Cl)NC(CSc4ccccc4)=O)CC1	4232
+c1(cc(cc(Cl)c1)N2C(=O)C3(Cc4ccc(cc4)C#N)N(CC(O)C3)C2=O)Cl	35
+CC(C)(C)[Si](C)(C)OC1CC2CNc3ccccc3C(=O)N2C1	15
+c12cc(cc(OCC3CC(CN3)O)c1c(ncn2)Nc4cc(Cl)c(F)cc4)OC	35
+CC(C)(C)[Si](C)(C)OC1CN(C1)c2ccc(cc2)C(NC(C)=O)C	79
+CC(C)(C)[Si](C)(C)OC1C(C(c2cnccc2)OC1)CCC(=O)OC	783
+CC(C)(C)[Si](C)(C)OC1C2OCC(N)C2OC1	273
+CC(C)(C)[Si](C)(C)OC1c2c(cnc3c2ccc(O)c3)CCC1	16
+CC(C)(C)[Si](C)(C)OCC#Cc1ncc(N)nc1	3665
+CC(C)(C)[Si](C)(C)OCC(N1CC(F)CC1C#N)=O	143
+CC(C)(C)[Si](C)(C)OCC(C(C)C)N1c2cc(c(NCc3ccc(cc3)F)cc2C(C(C(OCC)=O)=C1)=O)OC	250
+c1(ccc(c(c1)Cl)Cl)C(C)C(Nc2cccc3C(=O)N(C=Cc23)C(C(=O)NC)CO)=O	35
+CC(C)(C)[Si](C)(C)OCC(C)(C)CCC=O	4095
+CC(C)(C)[Si](C)(C)OCC(C)(C)CN1C=C(CO)c2cc(ccc2C1=O)-c3cc(C(NC4CC4)=O)cc(F)c3C	7634
+CC(C)(C)[Si](C)(C)OCC(C)(C)COS(=O)(=O)C	7
+CC(C)(C)[Si](C)(C)OCC(C)(C)CC#N	300
+c1cc(ccc1CC(Nc2nccc(c2)C(c3cn(c4c3cncn4)C(C)(C)CO)=O)=O)C#N	35
+c1cc(ccc1)C(c2ccccc2)=Nc3nccc(C(=O)c4c5cncnc5n(C(C)(C)CO[Si](C)(C)C(C)(C)C)c4)c3	4233
+CC(C)(C)[Si](C)(C)OCC(C)(C)n1c2c(c(C(c3ccnc(NC(Cc4ccc(cc4)C#N)=O)c3)=O)c1)cncn2	142
+CC(C)(C)[Si](C)(C)OCC(Cn1ncc2cc(ccc12)C)C	1090
+CC(C)(C)[Si](C)(C)OCC(CCCO)C	118
+CC(C)(C)[Si](C)(C)OCC(NCC(O)COc1ccc(cc1)OC)C	122
+CC(C)(C)[Si](C)(C)OCC(C)N	102
+CC(C)(C)[Si](C)(C)OCC(OCC(O)C(OC)=O)C	7635
+CC(C)(C)[Si](C)(C)OCC(OCC(C(=O)Nc1ccc(cn1)Cl)Oc2ncnc3n(-c4ncccc4Cl)ncc23)C	7636
+Cc1nc(Cl)c2c(n(C(C)CO)c(CCl)n2)c1C	35
+CC(C)(C)OC(=O)N(C(CO)C=C)CC(N(C)OC)=O	35
+CC(C)(C)[Si](C)(C)OCC(CCCC(C)C1CCC2C1(C)CCC3C4(C(=CC(CC4)=O)CCC23)C)C	7637
+CC(C)(C)[Si](C)(C)OCC(CCCOS(=O)(=O)C)C	7
+CC(C)(C)[Si](C)(C)OCC(C)CCCI	572
+CC(C)(C)[Si](C)(C)OCC(CCO)NCCc1ccc(cc1)C(OC(C)C)=O	110
+c1cc(ccc1OC)COCCC(=C)CO	2755
+CC(C)(C)[Si](C)(C)OCC(CCP(OCC)(OCC)=O)ONc1c(c(ncn1)Cl)NC=O	3381
+CC(C)(C)[Si](C)(C)OCC(CCP(OCC)(OCC)=O)On1c2ncnc(Cl)c2nc1	1876
+CC(C)(C)[Si](C)(C)OCC(On1c2ncnc(c2nc1)N)CCP(OCC)(OCC)=O	1095
+CN(C)CC(CO)OCCCCCCCCC=CCC=CCCCCC	35
+C(C(C)CN1c2cc(C)ccc2OCC1=O)O	35
+CC(C)(C)OC(=O)NCC(CO)n1c2c3c(cccc3)ncc2nc1CCl	35
+CC(C)(C)OC(=O)NCC1COCc2nc3c(c4ccccc4nc3)n12	2860
+CC(C)(C)[Si](C)(C)OCC(C=O)OC	24
+CC(C)(C)[Si](C)(C)OCC(c1ccccc1)CN(S(=O)(=O)c2ccccc2)C	2715
+C(CCCCCCC(=O)OCC(CO)OC)C=CCCCCCCCC	35
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(nc(SCc2c(c(F)ccc2)F)n1)Cl)COC(C)C	145
+CC(C)(C)[Si](C)(C)OCC(On1cnc2c(N)ncnc12)COCP(OCC)(OCC)=O	1095
+c1cc(ccc1)COCC2n3c(COC2)nc4cnc5ccccc5c34	2860
+c1ccccc1COCC(CO)n2c3c(cnc4c3cccc4)nc2CCl	35
+CC(C)(C)[Si](C)(C)OCC1Cc2ccc3c(c2O1)CCC3	419
+C(C(C)Cn1ncc2c1ccc(C)c2)O	35
+CC(C)(C)[Si](C)(C)OCC(NC)CC=C	2
+CC(C)(C)[Si](C)(C)OCC(N1C=Cc2c(cccc2N)C1=O)C(=O)OC	0
+CC(C)(C)[Si](C)(C)OCC(N1C=Cc2c(cccc2NC(C(c3ccc(Cl)c(c3)Cl)C)=O)C1=O)C(=O)OC	33
+CC(C)(C)[Si](C)(C)OCC(C(=O)OC)N1C(c2cccc(c2C=C1)NC(C(C)c3ccc(cc3)Cl)=O)=O	33
+CC(C)(C)[Si](C)(C)OCC(C(NC)=O)N1C=Cc2c(cccc2NC(C(c3ccc(Cl)c(c3)Cl)C)=O)C1=O	248
+N#CC1CC(CN1C(CO)=O)F	4230
+CC(C)(C)[Si](C)(C)OCC(N1c2nc(c(cc2C(C(=C1)C(OCC)=O)=O)CNc3c(cc(cc3F)F)F)OC)C(C)C	7638
+CC(C)(C)[Si](C)(C)OCC(N1c2nc(c(C)cc2C(C(=C1)C(OCC)=O)=O)OC)C(C)C	4188
+CC(C)(C)[Si](C)(C)OCC(Nc1c(C)c(C)nc(c1N)Cl)C	13
+CC(C)(C)[Si](C)(C)OCC(Nc1c(ccc(n1)OC)N)COCc2ccccc2	13
+CC(C)(C)[Si](C)(C)OCC(CN(C)C)OCCCCCCCCC=CCC=CCCCCC	967
+CC(C)(C)[Si](C)(C)OCC(OC)COCc1ccccc1	76
+CC(C)(C)[Si](C)(C)OCC(Cc1ccc2c(c1O)CCC2)O	16
+CC(C)(C)[Si](C)(C)OCC(c1cc(NC(=O)OCc2ccccc2)ccc1)OS(=O)(=O)C	7
+CC(C)(C)[Si](C)(C)OCC(c1ccc(Cl)c(F)c1)OS(=O)(=O)C	7
+CC(C)(C)[Si](C)(C)OCC(CO)OC	118
+Clc1cnc(cc1)NC(C(Oc2c3cnn(-c4ncccc4Cl)c3ncn2)COC(CO)C)=O	35
+CC(C)(C)[Si](C)(C)OCC(C)OCC(C(OC)=O)Oc1c2c(n(-c3ncccc3Cl)nc2)ncn1	7639
+CC(C)(C)[Si](C)(C)OCC(CCP(OCC)(OCC)=O)ON	670
+CC(C)(C)[Si](C)(C)OCC(COCP(OCC)(OCC)=O)On1cnc2c1ncnc2Cl	1876
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(cc(Oc2ncc(C(N3CCC3)=O)cc2Cl)c1)C(Nc4cnc(cn4)C)=O)C	1351
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(Oc2ccc(cc2F)C(=O)N3CCC3)cc(c1)C(=O)Nc4sccn4)C	900
+C1N(CC1)C(c2cnc(Oc3cc(cc(c3)OC(C)CO)C(Nc4cnc(cn4)C)=O)c(Cl)c2)=O	35
+C(C)OP(OCC)(COCC(CO)On1cnc2c(N)ncnc12)=O	35
+O=S(=O)(N(C)CC(CO)c1ccccc1)c2ccccc2	35
+CC(C)(C)[Si](C)(C)OCC1(SCCn2c(C3(CC3)c4ccc(cc4)-c5ccc(C#N)cn5)nnc2C1)C	4234
+CC(C)(C)[Si](C)(C)OCC1(SCCn2c(C3(CC3)c4ccc(cc4)Br)nnc2C1)C	4234
+CC(C)(C)[Si](C)(C)OCC1(CC1)CNCC(OC)=O	1315
+CC(C)(C)[Si](C)(C)OCC1(CC1)C=O	24
+C1CC1(c2nnc3CC(CO)(SCCn23)C)c4ccc(cc4)-c5ccc(C#N)cn5	35
+c1cc(ccc1C2(CC2)c3nnc4CC(CO)(SCCn34)C)-c5occn5	35
+CC(C)(C)[Si](C)(C)OCC1(SCCn2c(C3(CC3)c4ccc(cc4)-c5occn5)nnc2C1)C	4235
+C1C2(CO)CC2C(N1Cc3ccc(cc3OC)OC)=O	35
+CC(C)(C)[Si](C)(C)OCc1cc(C#N)nc(C)c1	7640
+CC(C)(C)[Si](C)(C)OCc1cc(C#N)ncc1	1303
+CC(C)(C)[Si](C)(C)OCC=1C(=O)N(C(N(C=1)C(NCCCCCC)=O)=O)C	2726
+CC(C)(C)[Si](C)(C)OCC1C(C)=CC2CN1C(N2OCC=C)=O	4236
+CC(C)(C)[Si](C)(C)OCC1C(=CC(NOCC=C)CN1)C	2862
+C(=C)CON1C(N2CC1C=C(C2CO)C)=O	35
+CC(C)(C)[Si](C)(C)OCC1C(C)(CCC(C1)OC(=O)C)C2CCC3(C(CCC3=C)C2CC#N)C	300
+CC(C)(C)[Si](C)(C)OC1C(CO[Si](C)(C)C(C)(C)C)CC(C1)Oc2ncnc(Cl)c2	145
+CCOC(=O)C=C1CC(C(CO)C1)CC	35
+CC(C)(C)[Si](C)(C)OCC1C(COC(C)O1)CC=CCCCC(O)=O	3684
+CC(C)(C)[Si](C)(C)OCC1N(C(OC(C)(C)C)=O)CCC1Oc2cc(F)cc([N+](=O)[O-])c2	57
+CC(C)(C)[Si](C)(C)OCC1C(COC(C)O1)CC=CCCCC(=O)OC	325
+CC(C)(C)[Si](C)(C)OCC1CC1(CC#N)c2ncccc2	300
+CC(C)(C)[Si](C)(C)OCC1C(Cc2ccccc12)OS(=O)(=O)C	7
+O(C(=O)N1CC=C(CC1CO)C=2NC(=S)SC=2)CC=C	35
+c1cc(ccc1N2CC(Cn3ccnn3)OC2=O)-c4ccc(cc4)C=5CC(CO)ON=5	35
+C(C1CC(CC1OC(=O)C)n2ccc3c2ncnc3NC4CCc5ccccc45)O	35
+CC(C)(C)[Si](C)(C)OCC1C(C2CCC3(C)C(CCC3C2COS(=O)(=O)C)=C)(C)CCC(C1)OC(=O)C	7
+CC(C)(C)[Si](C)(C)OCC1CC1(c2ccccn2)CCN	51
+CC(C)(C)[Si](C)(C)OCC1C(COS(=O)(=O)C)(C1)c2ncccc2	7
+C(O)C1CC1(CCN)c2ncccc2	35
+CC(C)(C)[Si](C)(C)OCC1CC1(CO)c2ncccc2	237
+CC(C)(C)[Si](C)(C)OCC1CCC(CC1)(C=C)OC	4237
+CC(C)(C)[Si](C)(C)OCC1CCC(CC1)CNCC	15
+O=Cc1c(cc(N2C(CO)CCCC2)s1)Br	35
+c1(ccc(N2CC(CO)CCC2)cc1C(Nc3c(C)c(C(OC)=O)ccc3C)=O)C	35
+CC(C)(C)[Si](C)(C)OCC1CCCN(c2ccc(c(C(Nc3c(C)c(ccc3C)C(OC)=O)=O)c2)C)C1	79
+C1CCC(C1)n2c3c(cnc(Nc4ncc(N5CCC(CC5)CO)cc4)n3)c6ccnc(c26)F	35
+CC(C)(C)[Si](C)(C)OCC1CCN(CC1)c2cnc(Cl)cc2	244
+CC(C)(C)[Si](C)(C)OCC1CNCCN1C2COC2	2
+CC(C)(C)OC(Nc1cc(cc(N2CCN(C(C2)CO)C3COC3)c1Cl)C#N)=O	35
+c1cc(ccc1)CN2CC3COCCN3CC2CO	35
+C1Cc2c(c3c(CC(CO)O3)cc2)C1	35
+CC(C)(C)[Si](C)(C)OCC1CN2CCOCC2CN1Cc3ccccc3	48
+C1(C(OC(N2C=C(I)C(N)=NC2=O)C1)CO)OCC=C	7641
+CC(C)(C)[Si](C)(C)OCC1C(CC=O)COC(O1)C	578
+C1C(CO)OC(C1OC(C)=O)n2cnc3c2ncnc3N	35
+c1(c2[nH]c(C(=O)NC3C(c4c(cccc4)C3)CO)cc2sc1Cl)Cl	35
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2ncnc3sc4c(C(CO)CC4)c23)C	35
+CC(C)(C)[Si](C)(C)OCC1c2c(cccc2)CC1NC(=O)c3cc4sc(c(Cl)c4[nH]3)Cl	81
+O=C(N1C=C(CO)C(=O)N(C1=O)C)NCCCCCC	2755
+CC(C)(C)[Si](C)(C)OCCOc1c(OC)cc([N+]([O-])=O)cc1	8
+CC(C)(C)[Si](C)(C)OCCn1c2ccccc2nc1CN(C)C(=O)CN3C(Sc4c3cc(Cl)cc4)=O	656
+CC(C)(C)[Si](C)(C)OCCOc1c(nc(C=O)cc1)Br	458
+CC(C)(C)[Si](C)(C)OCCOc1ccc(c(OC)c1)[N+]([O-])=O	8
+CC(C)(C)[Si](C)(C)OCCn1ncc2cc(c(cc12)[N+]([O-])=O)C	1090
+CC(C)(C)[Si](C)(C)OCCOc1c(c(-c2c(F)ccc(n2)C(=O)OC)c(cc1)F)F	8
+CC(C)(C)[Si](C)(C)OCCOc1ccc2c(nc(-c3ccc(cc3)[N+](=O)[O-])cn2)c1	8
+CC(C)(C)[Si](C)(C)OCCOc1ccc(cc1)-c2oc(nc2-c3ccc(cc3)OC)OC	8
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)Br	601
+CC(C)(C)[Si](C)(C)OCCC(c1nnc2cc(-c3ccnc(n3)Nc4n(C)ncc4)cc(F)n12)Oc5ccccc5	757
+CC(C)(C)[Si](C)(C)OCCC(c1nnc2cc(-c3ccnc(SC)n3)cc(n12)F)Cn4ncc(c4)Cl	757
+CC(C)(C)[Si](C)(C)OCCC(C(NNc1nc(cc(c1)-c2nc(SC)ncc2)F)=O)Cn3cc(Cl)cn3	355
+CC(C)(CCO)CCN=[N+]=[N-]	35
+CC(C)(C)[Si](C)(C)OCCC(C)(C)CCOS(=O)(=O)C	7
+CC(C)(C)[Si](C)(C)OCCC(C)(C)CCN=[N+]=[N-]	133
+CC(C)(C)[Si](C)(C)OCCC(CC=CC)C	1516
+Clc1cccc(c1)-c2nnn(n2)C(CCO)C	35
+CC(C)(C)[Si](C)(C)OCCC(CCO)C	95
+c1ccccc1COC(CCO)CCCCCCCCCCC	35
+CC(C)(C)[Si](C)(C)OCCC(C)CC=O	24
+CC(C)(C)OC(NC(C(=O)OC1CCCC1)CCO)=O	35
+CC(C)(C)[Si](C)(C)OCCC(c1ccccc1)(O)CCN	18
+CC(C)(C)[Si](C)(C)OCCC(OC(=S)Oc1ccccc1)C=2C=CN(C(=O)C=2)C3=CC(C)(C)Oc4c3cc(C#N)cc4	7642
+CC(C)(C)[Si](C)(C)OCCC(=O)C1CCCN1C(C2N(C(NCc3ccccc3)=O)CCC2)=O	86
+CC(C)(C)[Si](C)(C)OCCC(CCCCCCCCCCC)OCc1ccccc1	1476
+CC(C)(C)[Si](C)(C)OCCC(C(=O)NNc1cc(cc(F)n1)-c2nc(ncc2)Nc3n(C)ncc3)Oc4ccccc4	355
+CC(C)(C)[Si](C)(C)OCCC(O)(c1ccccc1)CCN=[N+]=[N-]	558
+c1ccccc1OC(c2nnc3cc(-c4ccnc(n4)Nc5n(C)ncc5)cc(F)n23)CCO	35
+c1cc(ccc1C#N)C(n2cncc2)CCO	35
+CC(C)(C)[Si](C)(C)OCCc1ccnc(C#N)c1	1303
+CC(C)(C)[Si](C)(C)OCCC1C(C1)C2CCN(CC2)c3ncc(cc3)CO	269
+CC(C)(C)[Si](C)(C)OCCC1C(C1)C2CCN(CC2)c3ccc(COC)cn3	76
+CC1(C)OCC(CCO)N(Cc2ccccc2)C1	35
+CC(C)(C)[Si](C)(C)OCCC1COC(C)(C)CN1Cc2ccccc2	15
+CC(C)(C)[Si](C)(C)OCCC1N(Cc2ccccc2)C(C(C)(C)OC1)=O	7643
+c12c(cc(cc1)C(=O)N)CCOC2CCO	35
+c12c(CCOC1CCO)cc(-c3cnccc3)cc2	35
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)C(=O)OCC	1232
+CC(C)(C)[Si](C)(C)OCCCN1CC(F)(F)CCC1	28
+CC(C)(C)[Si](C)(C)OCCCOc1cc(c(C=O)cc1)OC	8
+CC(C)(C)[Si](C)(C)OCCCN(CCN1CCS(CC1)(=O)=O)S(=O)(=O)c2c(cccc2)[N+](=O)[O-]	831
+CC(C)(C)[Si](C)(C)OCCCOc1ccc(cc1Br)-c2ccc(cc2)C(=O)OCC	8
+CC(C)(C)[Si](C)(C)OCCCN1C(=O)c2n(c(Br)nc2N(C1=O)C)Cc3ccc(cc3)Cl	1474
+CC(C)(C)[Si](C)(C)OCCCC#C[Si](C)(C)C	7644
+CC(C)(C)[Si](C)(C)OCCCc1c2c([nH]c1[Si](C)(C)C)ccc(C(=O)OCC)c2	4238
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)CO	44
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)C=CCO	2624
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)C=O	24
+CC(C)(C)[Si](C)(C)OCCCC(Oc1cc(ccc1C#N)Cl)c2ccsc2	20
+Clc1cc(OC(CCCO)c2ccsc2)c(cc1)C#N	35
+O=S(=O)(N1C(CN(C(OCc2ccccc2)=O)CC1)CCCO)c3ccccc3	35
+CC(C)(C)[Si](C)(C)OCCCC1CN(C(OCc2ccccc2)=O)CCN1S(=O)(=O)c3ccccc3	66
+CC(C)(C)[Si](C)(C)OCCCC1N(CCNC1)S(=O)(=O)c2ccccc2	25
+CC(C)(C)[Si](C)(C)OCCCC1N(S(=O)(=O)c2ccccc2)CCN(C1)Cc3ccccc3	92
+CC(C)(C)[Si](C)(C)OCCCCN1c2c(N=CC1=O)ccc(c2)OC	7645
+C(CCCCO)C(C)OC	35
+CC(C)(C)[Si](C)(C)OCCCCCCC#N	830
+CC(C)(C)[Si](C)(C)OCCCCCCCN	51
+CC(C)(C)N(C(=O)C(=O)OCC)CCCCCCO	35
+c1ccccc1C(N(C2CCCCC2)CCCCCCO)=O	35
+CC(C)(C)[Si](C)(C)OCCCCCCN(C1CCCCC1)C(c2ccccc2)=O	115
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCO	35
+COc1cc2N(C(=O)C=Nc2cc1)CCCCO	35
+CC(C)(C)[Si](C)(C)OCCCCn1cnc2cnc3ccccc3c12	919
+CC(C)(C)[Si](C)(C)OCCCCNc1c(N)cnc2c1cccc2	13
+n1c2c(n(CCCCO)c1)c3c(cccc3)nc2	35
+c1cc(ccc1)COC(=O)N(CC)CCCO	35
+c1ccccc1COC(=O)N(CCCO)C	35
+C(O)CCN(C)c1c(F)cnc(Cl)n1	35
+CC(C)(C)[Si](C)(C)OCCCNCCN1CCS(CC1)(=O)=O	1385
+N1(C(=O)N(c2c(c(C)c(Br)s2)C1=O)C)CCCO	35
+FC1(F)CN(CCCO)CCC1	35
+CC(C)(C)[Si](C)(C)OCCCN(C)C(=O)OCc1ccccc1	4239
+CC(C)(C)[Si](C)(C)OCCCNc1ccc(NS(=O)(=O)c2ccc(cc2)NC(C)=O)cc1N	0
+CC(C)(C)[Si](C)(C)OCCCN(C)c1nc(Cl)ncc1F	1347
+CC(C)(C)[Si](C)(C)OCCCONC(=O)c1c(cc(cc1)F)Nc2c(C)cc(I)cc2	514
+CC(C)(C)[Si](C)(C)OCCCON	670
+c1c(cc(C)c(Nc2c(C(NOCCCO)=O)ccc(c2)F)c1)I	35
+CC(C)(C)[Si](C)(C)OCCCOc1ccc(CO)c(OC)c1	41
+Cc1nc(N)nc(c1Cc2c(cc(cc2)OCCCO)OC)NC(CCOC(C)=O)CCC	35
+CC(C)(C)OC(n1nc(CCCO)c2c1c(ccc2Nc3c(-c4ncccn4)oc5cnccc35)Cl)=O	35
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCCO	35
+CC(C)(C)[Si](C)(C)OCCCc1ccc(cc1)-c2nc(c(nc2)N)C(=O)Nc3cccnc3	7646
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1F)C2CCC(CC2)CC(=O)OC	1627
+CC(C)(C)[Si](C)(C)OCCN(c1ccccc1)C(=O)Cc2cccc(c2)C(NO)=O	1133
+c1ccccc1COc2c(C(=O)N(CCO)C)nc(nc2O)CC3(CCCC3)c4ncccc4	35
+C1COC(O1)CCN(CCO)C(C)=O	35
+Clc1cccc(Cl)c1Cc2nc(O)c(OCc3ccccc3)c(C(=O)N(CCO)C(C)C)n2	35
+CC(C)(C)[Si](C)(C)OCCN(C(c1csc(n1)N2CC(C2)SC(=O)C)=O)C	2128
+CC(C)(C)[Si](C)(C)OCCN(C(c1csc(N2CC(C2)OS(=O)(=O)C)n1)=O)C	7
+c1cc(ccc1C(OCC)=O)N(C)CCO	35
+CC(C)(C)[Si](C)(C)OCCNCCC1OCCO1	25
+Clc1nc(nc(Cl)c1C(=O)N(c2ccc(cc2)Br)CCO)C	35
+c1ccccc1N(CCO)C(Cc2cccc(c2)C(NO)=O)=O	35
+CC(C)(C)[Si](C)(C)OCCN(c1ccccc1)C(Cc2ccc(cc2)C(=O)NO)=O	1133
+CC(C)(C)[Si](C)(C)OCCN1c2cc3c([nH]c(n3)-c4cc([nH]n4)C)cc2C(C)(C)C1=O	567
+CC1(C)c2c(cc(Br)s2)C(=O)N1CCO	35
+CC(C)(C)[Si](C)(C)OCCN1c2nn(Cc3ccc(cc3)OC)cc2-c4c(sc(Nc5ncc(cn5)F)n4)CC1	7647
+C1CN(CCN1c2cnc(cc2)Nc3nc4n(C5CCCC5)c6c(nccc6c4cn3)F)CCO	35
+CC(C)(C)[Si](C)(C)OCCN1CCN(CC1)c2ccc(Cl)nc2	244
+CC1(C)C(=O)N(CCO)c2cc3c([nH]c(n3)-c4cc([nH]n4)C)cc12	35
+c1cc(ccc1OC)Cn2nc3c(c2)-c4c(sc(Nc5ncc(cn5)F)n4)CCN3CCO	35
+CC(C)(C)[Si](C)(C)OCCN(C(=O)c1nc(nc(c1OCc2ccccc2)O)CC3(CCCC3)c4ncccc4)C	147
+CC(C)(C)[Si](C)(C)OCCN(C(C)C)C(=O)c1nc(nc(c1OCc2ccccc2)O)Cc3c(Cl)cccc3Cl	147
+C1CCC(C1)CCC(Nc2c(ccc3nc(N4CCC(NCCO)C4)ccc23)Cl)=O	35
+CC(C)(C)[Si](C)(C)OCCN1c2c(cc(I)cc2F)C(=O)C(C(=O)OCC)=C1	2020
+CC(C)(C)[Si](C)(C)OCCN(C(C)=O)CCC1OCCO1	58
+CC(C)(C)[Si](C)(C)OCCN(C(=O)Cc1ccc(cc1)C(OC)=O)c2c3c(ccc2)cccn3	7648
+CC(C)(C)[Si](C)(C)OCCNc1c2ccc(cc2ncc1N)OCc3ccccc3	13
+CC(C)(C)[Si](C)(C)OCCN(c1ccc(cc1)Br)C(=O)c2c(Cl)nc(nc2Cl)C	4240
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)N2CCc3c(n(nc3C(=O)OCC)-c4ccc(cc4)OC)C2=O	7649
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2c(nccn2)C(Nc3ccc(C#N)cn3)=O)=O	466
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2nccnc2C(Nc3ccc(cn3)C)=O)=O	466
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(=O)c2c(NC(c3ccc(Cl)s3)=O)nccc2	246
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(=O)c2nccnc2NC(c3ccc(cc3)Cl)=O	466
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2c(NC(c3sc(cc3)Cl)=O)cncc2)=O	67
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)N2CCc3c(n(-c4ccc(cc4)OC)nc3C(N)=O)C2=O	1201
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)N2C(=O)c3n(-c4ccc(cc4)OC)nc(C(N)=O)c3CC2	247
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)N2C(c3c(CC2)c(C(=O)O)nn3-c4ccc(cc4)OC)=O	6
+CC(C)(C)[Si](C)(C)OCCN(c1ccc(cc1)NC(=O)c2c(NC(c3ccc(Cl)s3)=O)nccc2)C#N	1201
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)NC(c2nccnc2NC(c3ccc(cc3)Cl)=O)=O	1201
+CC(C)(C)[Si](C)(C)OCCN(c1ccc(cc1)NC(c2c(NC(c3sc(cc3)Cl)=O)cncc2)=O)C#N	1201
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)NC(c2nccnc2C(=O)Nc3ccc(C#N)cn3)=O	1201
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)NC(c2c(C(=O)Nc3ccc(cn3)C)nccn2)=O	1201
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)N	0
+CC(C)(C)[Si](C)(C)OCCN(C(=O)c1c(ncnc1Cl)Cl)c2c(F)cc(cc2)C3CCC(CC3)CC(=O)OC	4240
+CC(C)(C)[Si](C)(C)OCCN(c1ccccc1)C(Cc2ccc(cc2)C(OC)=O)=O	429
+CC(C)(C)[Si](C)(C)OCCOCCC(C)(C)CC=O	24
+CC(C)(C)[Si](C)(C)OCCOCCCCCCN1CC(OC1=O)c2cc3c(cc2)OC(C)(C)OC3	3986
+CC1(C)OCc2c(ccc(c2)C3OC(=O)N(CCCCCCOCCO)C3)O1	35
+CC(C)(C)[Si](C)(C)OCCOCC=O	24
+CC(C)(C)[Si](C)(C)OCCOCc1ccc(cc1)CO	98
+c1c(OCCO)c(cc([N+]([O-])=O)c1)OC	35
+CC(C)(C)[Si](C)(C)OCCOc1ccc(C=O)nc1-c2ccc(cc2)C(=O)N(C)C	119
+c12c(cc(c(c1OC)OC)OC)nc(nc2O)N(Cc3cccc(c3)OCCO)C	35
+CC(C)(C)[Si](C)(C)OCCOc1ccc(N)c(C)c1	0
+CC(C)(C)[Si](C)(C)OCCOc1cc(C=O)cc(C)c1	7650
+CC(C)(C)[Si](C)(C)OCCOc1cccc(CNC)c1	1172
+CN(C)C(c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCO)=O	35
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCO	35
+CC(C)(C)[Si](C)(C)OCCOc1ccc(-c2nc(c3c(cc(OC)cc3OC)n2)O)nc1-c4ccc(cc4)C(N(C)C)=O	2863
+CC(C)(C)[Si](C)(C)OCCOc1ccc(N)c(OC)c1	0
+c1(cc(ccc1[N+]([O-])=O)OCCO)OC	35
+c1cc(ccc1OC)-c2nc(oc2-c3ccc(cc3)OCCO)OC	35
+CC(C)(C)[Si](C)(C)OCCOc1ccc2c(nc(-c3ccc(cc3)N)cn2)c1	0
+CC(C)(C)[Si](C)(C)OCCOc1cc(ccc1)C=NC	853
+CC(C)(C)[Si](C)(C)OCCOc1cc(CN(C)c2nc(c3c(OC)c(c(cc3n2)OC)OC)O)ccc1	549
+CC(C)(C)[Si](C)(C)OCCSc1c(-c2ccccc2)c(C(C)N3C(=O)c4ccccc4C3=O)nc5ccc(cc15)F	7651
+CC(C)(C)[Si](C)(C)OCCSc1c(c(C(Br)C)nc2ccc(cc12)F)-c3ccccc3	7652
+CC(C)(C)[Si](C)(C)OCCSc1ccc(c(C)n1)N	13
+C1CC2(CCN1Cc3cccc(CCO)c3F)CN(C(=O)c4csc(n4)C(C)C)CCO2	35
+CC(C)(C)[Si](C)(C)OCCc1cc(cc(F)c1N(Cc2ccccc2)C)N	0
+CC(C)(C)[Si](C)(C)OCCc1cc(cc(F)c1N(Cc2ccccc2)C)NC(=O)OCc3ccccc3	90
+CC(C)(C)[Si](C)(C)OCCc1csc(CCOC(=O)C)c1	204
+c1cc(ccc1OCc2ccccc2)-n3c4ccccc4cc3CCO	35
+CC(C)(C)[Si](C)(C)OCCC1=CC(=C=[N-])[N+](=O)C=C1	1269
+CC(C)(C)[Si](C)(C)OCCc1ccc(c(OCc2ccccc2)c1)C=O	139
+CC(C)(C)[Si](C)(C)OCCc1ccc(CC=O)s1	24
+CC(C)(C)[Si](C)(C)OCCc1ccc(c(CO)c1)F	41
+c1cc(ccc1CCO)-c2cc3c(CN(CC3)C(=O)COC(C)=O)cc2	35
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCO	35
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)C(OC(C)C)=O	7653
+c1cc(ccc1C(OC(C)C)=O)CCO	35
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)CC(C)(C)C(=O)OC	1389
+CC(C)(C(=O)OC)Cc1ccc(cc1)CCO	35
+CC(C)(C)[Si](C)(C)OCCc1ccc(c(c1)C=O)F	151
+CC(C)(C)[Si](C)(C)OCCc1ccccc1C(=N)NO	181
+CC(C)(C)[Si](C)(C)OCCc1cccc(C=O)c1F	151
+C(O)Cc1ccnc(C#N)c1	35
+CC(C)(C)[Si](C)(C)OCCc1cc[n+](cc1)[O-]	341
+CC(C)(C)[Si](C)(C)OCCc1ccsc1C(O)c2ccc(cc2)F	7654
+CC(C)(C)[Si](C)(C)OCCc1cnn(-c2nccc(C#N)c2)c1	1706
+c1(nccc(C#N)c1)-n2ncc(CCO)c2	35
+O(C(C)=O)CCc1scc(CCO)c1	35
+o1nc(CCO)cc1-c2cnc(nc2NCCC)Nc3cccc(c3)F	35
+c1cc(ccc1C2CC(=O)NC=C2C(Nc3cc4c(cnn4CCO)cc3C)=O)F	35
+CC(C)(C)[Si](C)(C)OCCn1c2c(cn1)cc(C)c(NC(C3=CNC(CC3c4ccc(cc4)F)=O)=O)c2	4241
+c12c(cc(Cl)cc1)N(C(=O)S2)CC(N(Cc3nc4c(cccc4)n3CCO)C)=O	35
+C1Cc2nn(cc2-c3c1c4c(ncnc4s3)Nc5cc(c(cc5)OCc6ncccc6)Cl)CCO	35
+CC(C)(C)[Si](C)(C)OCCn1ccc2cc(c(cc12)NC(C3=CNC(CC3c4ccc(cc4)F)=O)=O)C	4241
+c12c(ccc(Cl)c1F)c(Sc3cc(ccc3)C(=O)OCC)c(C)n2-c4cn(nc4)CCO	35
+CC(C)(C)[Si](C)(C)OCCn1c2CCCC(O)c2cn1	4242
+CC(C)(C)[Si](C)(C)OCCn1c2cc(c(C)cc2cn1)N	0
+CC(C)(C)[Si](C)(C)OCc1cc(ncc1C)Nc2ncc(C#N)s2	1178
+CC(C)(C)[Si](C)(C)OCc1c(cccc1C=CC(=O)OCC)OC	233
+C1OC(CCC1)OCc2nnc(OC)c(CO)c2	35
+CC(C)(C)[Si](C)(C)OCc1cc(OCOC)cc(C2CCCC2C(=O)c3ccc(cc3)OCOC)c1OCOC	586
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCC(Nc4c(cc(CO)c(OC)c4)Cl)=O)=O)O	35
+CC(C)(C)[Si](C)(C)OCc1c(cncc1O)O	321
+c1ccccc1-c2ncc(CO)c(Nc3[nH]nc(c3)C4CC4)n2	35
+CC(C)(C)[Si](C)(C)OCc1c(nc(-c2ccccc2)nc1)Nc3cc(n[nH]3)C4CC4	345
+CC(C)(C)[Si](C)(C)OCc1c(nnc(CO)c1)OC	398
+CC(C)(C)[Si](C)(C)OCc1c(OC)nnc(c1)COC2CCCCO2	1646
+c1c(CO)c2c(cc1)C(CCN2CC)OCC=C	35
+CC(C)(C)[Si](C)(C)OCc1c2N(CC)CCC(O)c2ccc1	74
+CC(C)(C)[Si](C)(C)OCc1cccc2C(CCN(c12)CC)=C	1707
+CC(C)(C)[Si](C)(C)OCc1c2cccc(C)c2c(c(c1)C=O)OCOC	151
+CC(C)(C)[Si](C)(C)OCc1cccc(-c2cc(N)ccc2F)c1	0
+CC(C)OCc1cc(CO)cc(Br)c1	35
+c1(nc(cc(CO)c1)C#N)C	35
+CC(C)(C)[Si](C)(C)OCC1=CC(=C=[N-])[N+](C(=C1)C)=O	7655
+CC(C)(C)[Si](C)(C)OCc1ccc(C(O)c2cc(ccc2)C)c(c1)C	257
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1Cl)CCNC(C)=O	68
+CCC(NCCc1cc(Cl)c(c(CO)c1)Cl)=O	35
+CC(C)(C)[Si](C)(C)OCc1cc(CCl)cc(Cl)c1	229
+CC(C)(C)[Si](C)(C)OCc1cc(nc(Cl)c1)I	1463
+CC(C)(C)OC(N(C)c1cc(ccn1)CO)=O	35
+CC(C)(C)[Si](C)(C)OCc1cc(N(C(=O)OC(C)(C)C)C)ncc1	4134
+c1c(C)c(c(cc1C)C)NC(Nc2cc(ccc2)CO)=S	35
+c1c(OCC)c(c(cc1CO)OCC)F	35
+CC(C)(C)[Si](C)(C)OCc1c(OCOC)c(C2CCCC2C(N(C)OC)=O)cc(OCOC)c1	4243
+CC(C)(C)[Si](C)(C)OCc1cc(Cl)cc(CO)c1	98
+CC(C)(C)[Si](C)(C)OCc1cc(CCNC(=O)CC)cc(c1Cl)Cl	9
+CC(C)(C)[Si](C)(C)OCc1cc(Br)cc(COC(C)C)c1	149
+C(O)c1c(Cl)ccc(CCNC(C)=O)c1	35
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1N)N2CCOCC2	0
+CC(C)(C)[Si](C)(C)OCc1c(ccc(c1)OC)N	0
+CC(C)(C)[Si](C)(C)OCc1sc(C=O)c(c1)C	968
+n1c(Nc2ncc(C)c(CO)c2)sc(c1)C#N	35
+c12c(c(cc(Cl)c1)F)n(c(CO)c2)CCC(OCC)=O	35
+c12cc(ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(OC)cc4C)CO	35
+c1(cc(ccc1)-n2nc(C(=O)OC)c3cc(ccc23)CO)Br	35
+CC(C)(C)[Si](C)(C)OCc1n(c2c(cc(cc2)C(=O)CC)c1)C	586
+CC(C)(C)[Si](C)(C)OCc1cc2c(cc1)n(nc2C(=O)OC)-c3cc(Br)ccc3	1708
+CC(C)(C)OC(=O)n1c(-c2c(Cl)nc3ccccc3c2)cc4cc(CO)ccc14	35
+CC(C)(C)[Si](C)(C)OCc1cc(c2ncccc2c1)C=O	7656
+n12c(c(C(=O)OC)cn1)cc(cc2)CO	35
+CC(C)(C)[Si](C)(C)OCc1cc2c(c3c(ncc(CCc4c(C)cc(OC)cc4)c3)c(n2)N)cc1	2829
+CC(C)(C)[Si](C)(C)OCC1=CC([N+](=O)C=C1)=C=[N-]	1269
+CC(C)(C)[Si](C)(C)OCc1ccc(c(C(Cl)C(C)(C)C)c1)-c2cc(ccc2F)OC	3899
+CC(C)(C)[Si](C)(C)OCc1ccc(c(c1)N)C(C)(C)C	0
+CC(C)(C)[Si](C)(C)OCc1cc([N+]([O-])=O)c(cc1)C(N)=O	7657
+CC(C)(C)[Si](C)(C)OCc1cc(c(cc1)C)N(C)c2nc(ncc2)Cl	1121
+FC(F)(F)c1nn2c(c1)c(CO)ccc2COC	35
+CC(C)(C)[Si](C)(C)OCc1cnc(NC(=O)Oc2ccccc2)cc1	278
+CC(C)(C)[Si](C)(C)OCc1cc(CC(C)(C)C)c(cc1)-c2cc(ccc2F)OC	4244
+CC(C)(C)[Si](C)(C)OCc1ccc(-c2c(ccc(c2)OC)F)c(C(O)C(C)(C)C)c1	74
+CC(C)(C)[Si](C)(C)OCc1ccc(C(O)=O)c([N+]([O-])=O)c1	1
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C(CC#N)=O	4245
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C(=O)Cl	82
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)OC(=O)Oc2ccc(cc2)[N+]([O-])=O	644
+c1cc(ccc1CO)OP(OCC)(OCC)=O	35
+FC(F)(F)c1cc2c(ccc(n2n1)I)CO	35
+CC(C)(C)c1nn(c(CNC(=O)Nc2ncc(cc2)CO)c1)-c3cc(ccc3)Cl	35
+n1(c2ccc(CO)cc2nc1CN(CCC)C(c3c(F)ccc(F)c3)=O)CCC	35
+CC(C)(C)[Si](C)(C)OCc1cc2c(n(CCC)c(CNCCC)n2)cc1	3430
+C(C)OC(=O)c1cn(-c2cc(CO)ccc2)cn1	35
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)C2(CCOCC2)OC	76
+CC(C)(C)[Si](C)(C)OCc1nc(C=CC(=O)OCC)ccc1	7658
+CC(C)(C)[Si](C)(C)OCc1cccc(n1)CCCN2CCOCC2	15
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)CCC(=O)O	3
+CC(C)(C)[Si](C)(C)OCc1cc(NC(Nc2c(cc(cc2C)C)C)=S)ccc1	773
+O(CC=C)P(OCC=C)(=O)OCc1c(cccc1C)CO	35
+C=CCOP(OCC=C)(OCc1c(Cl)cccc1CO)=O	35
+C1COCCN1CCCc2nc(CO)ccc2	35
+CC(C)(C)[Si](C)(C)OCc1nc2ncc(-c3cccc(-c4c(cccc4)C#N)c3)n2cc1	7659
+CC(C)(C)[Si](C)(C)OCc1cc(C)[n+]([O-])cc1	103
+CC(C)(C)[Si](C)(C)OCc1cc[n+](cc1)[O-]	103
+CC(C)(C)[Si](C)(C)OCc1ccc(nc1)NC(=O)NCc2cc(nn2-c3cc(ccc3)Cl)C(C)(C)C	238
+CC(C)(C)[Si](C)(C)OCc1n(C)c2cc3c(C(O)CCCCC3)cc2c1	374
+CC(C)(C)[Si](C)(C)OCc1n(c2c(cc3C(CCCCc3c2)=O)c1)C	155
+CC(C)(C)[Si](C)(C)OCc1n(c2c(cc3c(CCCCCC3=O)c2)c1)C	155
+FC(F)(F)C(N=S(C)(CCCn1c(cc2cc(Cl)ccc12)CO[Si](C)(C)C(C)(C)C)=O)=O	3972
+CC(C)(C)[Si](C)(C)OCc1n(CCCS(C)=O)c2ccc(cc2c1)Cl	441
+CC(C)(OC)c1cccc(CO)n1	35
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(OCC)=O)n1	1253
+CC(C)(C)[Si](C)(C)OCc1cc(OC)c(C=O)c(n1)Cl	1031
+CC(C)(C)[Si](C)(C)OCc1nc(C(C)(C)OC)ccc1	76
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)NC(=O)Cn2ncc(c2)Oc3c4cc(c(OC)cc4ncn3)OC	142
+CC(C)(C)[Si](C)(C)OCc1sc(C(=N)NO)c(c1)C	7660
+CC(C)(C)[Si](C)(C)OCc1sc(C#N)c(c1)C	7661
+CC(C)(C)[Si](C)(C)Oc1c2c(ccc1Br)ccc(C=O)n2	501
+Cc1cc(cc(C)c1O)C2CC2	186
+C1CC1c2cc(OCC(OC)=O)c(cc2O)C	186
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1)C=O)C2CCCC2	39
+CC(C)(C)[Si](C)(C)Oc1ccccc1CO	41
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1CCC)C=C)CCC	2864
+O=Cc1c(c(ccc1F)O)F	186
+CC(C)(C)[Si](C)(C)Oc1c(c(C=O)ccc1)F	151
+CC(C)(C)[Si](C)(C)Oc1cc(C#N)ccc1N=C=Nc2c(cccc2)Br	4246
+CC(C)(C)[Si](C)(C)Oc1c(S(=O)(=O)N(C)C)c(ccc1N=C=Nc2ccccc2Cl)Cl	4246
+CC(C)OB(OC(C)C)c1cc(C2CCCCC2)c(O[Si](C)(C)C(C)(C)C)cc1	585
+O(c1cc(cc(OC)c1)C(c2ccc(O)c(OC)c2)=CC#N)C	186
+CC(C)(C)[Si](C)(C)Oc1cc(F)c(F)c(C=O)c1OC	151
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1)Oc2c(cc(cc2Cl)N)Cl)C(C)C	0
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1CCC)CCO)CCC	1709
+CCCc1cc(cc(CCC)c1O)CCO	186
+CC(C)(C)[Si](C)(C)Oc1c(CCC)cc(cc1CCC)C=O	39
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1OC)C(C=Cc2cc(c(cc2OC)OC)-c3cc4ccccc4s3)=O)OC	307
+c1(c2ccc(C)nc2c(cc1)O)Br	1710
+c1ccccc1COC(n2c3c(c(ccc3)O)cc2)=O	186
+CC(C)(C)[Si](C)(C)Oc1c(Br)ccc2ccc(nc12)C=NNc3ncccc3	1698
+CC(C)(C)[Si](C)(C)Oc1c2c(ccc1)n(C(OCc3ccccc3)=O)cc2	1825
+c1ccccc1COC(NCCCCc2c3ccccc3c(O)cc2)=O	186
+C(OC(Cn1c2c(cccc2O)cc1)=O)C	1710
+CC(C)(C)[Si](C)(C)Oc1cccc2c1nc(C=NNc3cc(ccn3)C)cc2	1698
+CC(C)(C)[Si](C)(C)Oc1ccc(c(NC(C)c2c(Cl)cc(cc2)Cl)c1)Cl	250
+CC(C)(C)[Si](C)(C)Oc1cccc(C2CC2)c1	365
+c1c(C(=C)c2ccc(OC)c(C)c2)cccc1O	186
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(-c2cccc(CO)c2)c(c1Cl)C	41
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(c1)C)-c2c3CCC(c3c(cc2)F)Oc4ccc5c(c4)OCC5CC(OC)=O	99
+Cc1cc(cc(C)c1-c2c3CCC(c3c(cc2)F)Oc4ccc5c(c4)OCC5CC(OC)=O)O	186
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(C)c1)-c2cc(C(OC)=O)ccc2OC(C)C	11
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(C)c1)-c2nc3n(c(OCCO)ccc3)c2Nc4ccc5OCCOc5c4	1891
+Clc1cccc(C(NCc2cc(c(Cl)cc2)O)C)c1	186
+CC(C)(C)[Si](C)(C)Oc1cc2oc(-c3cn4nc(sc4n3)Br)cc2c(OCc5cc(ccc5)OCc6ccccc6)c1	2865
+c1(cc(Sc2ccnc(c2)Nc3nc(C)cs3)ccc1)O	186
+CC(C)(C)[Si](C)(C)Oc1cc(c(N2C(c3c(C2=O)cccc3)=O)cc1)N	0
+CC(C)(C)[Si](C)(C)Oc1ccc(c(c1)N)NC(=O)c2cccc(C#N)c2	0
+CC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])c(cc1)N2C(=O)c3ccccc3C2=O	668
+CC(C)(C)[Si](C)(C)Oc1cc([N+]([O-])=O)c(NC(=O)c2cccc(C#N)c2)cc1	50
+CC(C)(C)[Si](C)(C)Oc1cc(c(cc1)N2C(=O)c3ccccc3C2=O)NC(C4CCN(CC4)c5ccncc5)=O	33
+CC(C)(C)[Si](C)(C)Oc1cc(cc(F)c1)C=O	146
+CC(C)(C)[Si](C)(C)Oc1cccc(-c2c(N)cccc2)c1	0
+CC(C)(C)[Si](C)(C)Oc1cccc(CN)c1	107
+c1ccc(O)cc1OCC(OC)=O	186
+CC(C)(C)[Si](C)(C)Oc1cc(CNC(c2cc(Cl)ccc2)C)ccc1Cl	370
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1OC)CO	41
+CC(C)(C)[Si](C)(C)Oc1c(ccc(c1)C(O)C)OC	4247
+CC(C)(C)[Si](C)(C)Oc1c(OC)ccc(c1)CCl	109
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)nc(Sc3oc(cc3)C=O)[nH]2	4248
+CC(C)(C)[Si](C)(C)Oc1cc2c(ccn2CC(=O)OCC)cc1	256
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)[nH]cc2Cl	573
+CC(C)(C)OC(n1nc(I)c2cc(O)ccc12)=O	186
+CC(C)(C)[Si](C)(C)Oc1ccc2[nH]nc(I)c2c1	538
+CC(C)(C)[Si](C)(C)Oc1ccc2[nH]nc(I)c2c1	2866
+c1c(O)cc(Br)c2[nH]ccc12	186
+C1N(CC1C(OC)=O)Cc2ccc3cc(ccc3c2)O	186
+C(OC(Cn1c2c(ccc(c2)O)cc1)=O)C	186
+c1(I)c2c(ccc(O)c2)n(n1)C	186
+c1c2c(n(CC(OCC)=O)cc2)ccc1O	186
+CC(C)(C)OC(n1c2c(c(N)n1)ccc(O)c2)=O	186
+CC(C)(C)OC(=O)Cn1c2c(ccc(O)c2)c(Cl)c1	186
+CC(C)(C)[Si](C)(C)Oc1cc2n(C(=O)OC(C)(C)C)nc(c2cc1)N	1131
+c1cc(ccc1)COc2cc(COc3c4cc(oc4cc(c3)O)-c5cn6c(sc(n6)OC)n5)ccc2	186
+CC(C)(C)[Si](C)(C)Oc1cc2oc(-c3cn4c(n3)sc(n4)OC)cc2c(OCc5cc(ccc5)OCc6ccccc6)c1	2867
+CC(C)(CC)c1cc(ccc1O)-c2cc(C=O)ccc2	186
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1C2CCCCC2)B(O)O	579
+c1c(COCOC)c(ccc1O)Br	186
+CC(C)(C)[Si](C)(C)Oc1c(C2CCCC2)cc(CO)cc1	98
+CC(C)(C)[Si](C)(C)Oc1c(cc(C(c2cc(OC)cc(OC)c2)=CC#N)cc1)OC	7662
+c1ccccc1COc2ccc(O)c(C)c2	186
+CC(C)(C)[Si](C)(C)Oc1ccc2c(nc(cn2)-c3ccc(cc3)N(C)C)c1	4249
+c1cc(ccc1C(=O)Nc2c(ccc(O)c2)NC(=O)c3cc(C#N)ccc3)C(C)C	186
+Clc1ccc(C(Nc2c(ccc(O)c2)Cl)C)c(c1)Cl	186
+CC(C)(C)[Si](C)(C)Oc1ccc(c(NC(=O)c2ccc(cc2)C(C)C)c1)NC(c3cc(C#N)ccc3)=O	50
+CC(C)(C)[Si](C)(C)Oc1c2ccccc2c(cc1)CCCCNC(=O)OCc3ccccc3	213
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c2n(C3CCCCC3)c4c(n2)cc(cc4)-c5[nH]nnn5	1711
+C[Si](C)(C)c1nn(-c2ccc(cc2)O[Si](C)(C)C(C)(C)C)c(C(=O)OCC)c1	1158
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C=2CCN(CC=2C(OC)=O)C(OC(C)(C)C)=O	7663
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2(C(c3ccc(cc3)OCOC)(CSc4c2ccc(OCOC)c4)C)O	2157
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C(Cc2ccccc2)=NO	189
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2C(c3ccc(cc3)OCOC)(CSc4cc(ccc24)OCOC)C	4250
+c1cc(ccc1O)C2C(CSc3cc(ccc23)OCOC)(C)c4ccc(cc4)OCOC	186
+CC(C)(C)OC(N1CC(=C(CC1)c2ccc(cc2)O)C(OC)=O)=O	186
+c1cc(ccc1O)CC(OC)C(O)=O	186
+CC(C)(C)OC(=O)N1CCN(CC1)CCc2ccc(cc2)O	186
+C1C(CN1c2ccc(cc2)O)OCCOC3CCCCO3	186
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)OCc2cc([N+]([O-])=O)cc(c2)[N+]([O-])=O	22
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)N	0
+CC(C)(C)[Si](C)(C)Oc1c(F)c(c(cc1)F)C=O	151
+CC(C)(C)[Si](C)(C)Oc1cc2c(n(C)nc2I)cc1	2158
+CC(C)(C)[Si](C)(C)Oc1cc2c(cc1)n(C3OCCCC3)nc2I	580
+CC(C)(C)[Si](C)(C)Oc1ccc2n(C3OCCCC3)nc(c2c1)C=O	178
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(CO)nn2C3OCCCC3	398
+CC(C)(C)[Si](C)(C)Oc1ccc2nc([nH]c2c1)Sc3ccc(C4c5c(NC6=C4C(CCC6)=O)c([nH]c5)C(=O)OCC)o3	2503
+CC(C)(C)[Si](C)(C)Oc1cc2c(n(CC(=O)OCC)cc2)cc1	256
+CC(C)(C)OC(=O)Cn1ccc2ccc(cc12)O	186
+c1cc(ccc1-c2cnc3c(cc(O)cc3)n2)[N+](=O)[O-]	186
+c1cc(ccc1N(C)C)-c2cnc3c(cc(O)cc3)n2	186
+CC(C)(C)OC(=O)Cn1c2cc(O)ccc2c(I)n1	186
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)[nH]c(CO)c2	629
+CC(C)(C)[Si](C)(C)Oc1cc2c(c([nH]n2)I)cc1	538
+C1CCCC(n2c3ccc(O)cc3c(C=O)n2)O1	186
+C=12C(CCCC=1Nc3c([nH]cc3C2c4ccc(Sc5[nH]c6ccc(cc6n5)O)o4)C(=O)OCC)=O	186
+C1CN(CCC1C(=O)OCC)Cc2ccc3c(n2)ccc(c3)O	186
+C1CC1c2cccc(O)c2	186
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)CNC(c2cc(c(O)c(Cl)c2)C)=O	14
+C1CCCN1Cc2cccc(O)c2F	186
+CC(C)(C)[Si](C)(C)Oc1cccc(c1)Nc2c3cc(ccc3ncc2)Br	179
+CC(C)(C)[Si](C)(C)Oc1cccc(Sc2cc(ncc2)Cl)c1	7664
+CC(C)(C)[Si](C)(C)Oc1cc(Sc2cc(Nc3scc(n3)C)ncc2)ccc1	4176
+C1CN(CCO1)c2nc(c3c(n(C(C)CC)c(n3)Br)n2)-c4cccc(c4)O	186
+CC(C)(C)[Si](C)(C)Oc1cccc2ccc(nc12)-c3nnc4cc(C)ccn34	2149
+CC(C)(C)[Si](C)(C)Oc1c2n(CC(OCC)=O)ccc2ccc1	256
+CC(C)(C)[Si](C)(C)Oc1cccc2ccc(nc12)-c3nnc4ccc(cn34)C5CC5	940
+c1c2nnc(n2ccc1)-c3nc4c(cc3)cccc4O	1710
+n1nc(n2ccc(C)cc12)-c3nc4c(cc3)cccc4O	1710
+C1CC1c2cn3c(nnc3cc2)-c4ccc5c(c(ccc5)O)n4	1710
+CC(C)(C)[Si](C)(C)Oc1c(COC(Oc2ccc(cc2)[N+](=O)[O-])=O)cccc1	405
+C1CN(CCO1)c2nc(-c3c4c([nH]cc4)ccc3F)nc5ccc(CN6CC(C6)C7CCOCC7)nc25	4251
+C1C(CN1Cc2ccc3c(c(N4CCOCC4)nc(n3)-c5c(ccc6[nH]ccc56)F)n2)N7CC(NCC7)=O	4251
+CC(C)(C)c1[nH]c2c(cc([N+]([O-])=O)cc2C(OC)=O)c1	342
+CC(C)(C)c1cc2cc(cc(CO)c2[nH]1)[N+]([O-])=O	295
+CC(C)(C)c1c(CCN2C(CCC2)c3ccc(cc3)C=CC(=O)OC)c4ccc([N+]([O-])=O)cc4[nH]1	61
+CC(C)(C)c1[nH]c2cc(ccc2c1CCN3C(CCC3)c4ccc(cc4)C=CC(=O)OC)NS(=O)(=O)C	80
+CC(C)(C)c1c(c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)[nH]1)C	7665
+CC(C)(C)c1n[nH]c(C(N)=O)c1[N+](=O)[O-]	4252
+CC(C)(C)c1ccccc1C2CCNCC2	1413
+CC(C)(C)c1c(c(cc(OCCC)c1C)C(C)(C)C)O	173
+CC(C)(C)c1c(ccc(C#Cc2ccc(cc2)C(OCC)=O)c1)C3(CC3)OCC	129
+CC(C)(C)c1c(cn(n1)CC(Nc2sc3CCCCc3c2C(NCCO)=O)=O)CNCC	7666
+CC(C)(C)c1cc2c(c(C(C)(C)C)c1OC(C)=O)CC(C)(CO)O2	7667
+CC(C)(C)c1[nH]c2cc([N+]([O-])=O)ccc2c1CC=O	571
+CC(C)(C)c1[nH]c2cc(ccc2c1CCN3C(CCC3)c4ccc(cc4)C=CC(=O)OC)N	0
+CC(C)(C)c1c(c(-c2nc3cc(-c4c(cccc4)C(F)(F)F)nc(OCCN(C)C)c3[nH]2)n(n1)C)Cl	61
+FC(F)(F)c1c(-c2cc(c(c(n2)OC)[N+](=O)[O-])NC(=O)c3n(nc(c3Cl)C(C)(C)C)C)cccc1	187
+FC(F)(F)c1ccccc1-c2cc(c(c(N3CCN(CC3)C)n2)[N+](=O)[O-])NC(=O)c4n(nc(C(C)(C)C)c4Cl)C	187
+CC(C)(C)c1nn(C)c(c1Cl)C(Nc2c(c(nc(c2)-c3ccccc3Cl)OC)[N+](=O)[O-])=O	187
+CC(C)(C)c1cc(nnc1Cl)NN	599
+CC(C)(C)c1c(N(C)C)c(Cl)cc(C=O)c1	146
+CC(C)(C)c1c2ncccn2nc1N	7668
+CC(C)(C)c1c(N2CCN(CC2)C(=O)CCC(O)=O)cccc1	4
+CC(C)(C)c1cc([N+]([O-])=O)ccc1N	106
+CC(C)(C)c1c(cc(CCC(CC2CCCCC2)=O)cc1)NC(=O)CC3c4ccccc4Oc5ccccc35	86
+CC(C)(C)c1c(cc(cc1)CCC=O)NC(=O)CC2c3ccccc3Oc4ccccc24	24
+CC(C)(C)c1cc(cc(N)c1O)C(C)=O	0
+CC(C)(C)c1cc(c([N+]([O-])=O)cc1OCc2ccccc2)Br	22
+CC(C)(C)c1c(cc2CC3(CCCCCC3)Oc2c1)O	414
+CC(C)(C)c1c(c(cc(c1)C(O)=O)I)O	1202
+CC(C)(C)c1c(O)c([N+]([O-])=O)cc(c1)C(C)=O	77
+CC(C)(C)c1c(ccc(CC(N(C(=O)C(C(C)C)N(C)C(OCc2ccccc2)=O)C)C(O)=O)c1)O	4
+CC(C)(C)c1cc(O)c(cc1OC(C(C)(C)C)=O)CC=C	423
+CC(C)(C)c1cc(cc(c1OC(=O)C)C)O	173
+CC(C)(C)c1cc(cc(C=Cc2c(C(Cl)=O)cc(cc2)NS(=O)(=O)C)c1OC)N3C(=O)NC(C=C3)=O	82
+CC(C)(C)c1c(c(N)cc(Br)c1)OC	0
+CC(C)(C)c1c(cc(c(-c2c(nccc2)OC)c1)CSC)OC	305
+CC(C)(C)c1c(OC)cc2c(C(=O)C(C2)CC(C)C)c1	7669
+CC(C)(C)c1cccc(C(=C)c2cccc(c2)-c3ccccc3OC)c1OCc4ccccc4	2855
+CC(C)(C)c1cccc(c1OCc2ccccc2)C(c3ccccc3)c4cc(ccc4)-c5c(cccc5)OC	4253
+CC(C)(C)c1c(Oc2ccc(-c3cc(C(O)=O)c(cc3)Cl)cc2NC(Nc4ccc(cc4)C)=O)cccc1	11
+CC(C)(C)c1c(cc(N)c(N)c1)SC#N	0
+CC(C)(C)c1c(Cl)c(-c2nc3c([nH]2)cc(nc3OCC=O)-c4c(C(F)(F)F)cccc4)n(n1)C	24
+CC(C)(C)c1c(c(-c2nc3c([nH]2)c(nc(c3)-c4c(cccc4)C(F)(F)F)OCCO)n(n1)C)Cl	35
+CC(C)(C)c1cc2C(=O)C(Cc2c(-c3ccccc3)c1OCC(C)C)C	11
+CC(C)(C)c1cc(c(C)c(C(C)(C)C)c1OC(=O)C)OC2OCCCC2	385
+CC(C)(C)c1cccc(C(C)c2cccc(-c3c(OC)cccc3)c2)c1O	16
+CC(C)(C)c1c(OCc2ccccc2)c(C(c3ccccc3)(c4cccc(c4)-c5c(cccc5)OC)O)ccc1	7670
+CC(C)(C)c1cc(cc(C=Cc2c(cc(cc2)NS(=O)(=O)C)COC)c1OC)N3C(=O)NC(C=C3)=O	2868
+CC(C)(C)c1c(c(N)c(c(C=O)n1)Cl)F	4254
+CC(C)(C)c1c(c(N2CCN(CC2)CC(=O)OCC)cc(Br)c1)OC	303
+CC(C)(C)c1cc(C(=O)N2c3ccccc3SC2)cc(C#N)c1OC	448
+CC(C)(C)c1cc(cc(c1OC)C#N)C(=O)O	1
+CC(C)(C)c1cc(cc(I)c1O)C(OC)=O	128
+CC(C)(C)c1c(N)cc(C#N)cc1	0
+CC(C)(C)c1c(cc(C#N)cc1)[N+]([O-])=O	274
+CC(C)(C)c1c(cc(O)c(Cl)c1)N	0
+CC(C)(C)c1c(cc(N)cc1)OC	0
+CC(C)(C)c1c(cc(c(c1)-c2cccnc2O)CSC)OC	104
+CC(C)(C)c1c(cc(c(c1)OS(=O)(=O)N(C)C)C)S	1180
+CC(C)(C)c1c(O)cc([N+](=O)[O-])c(Br)c1	4255
+CC(C)(C)c1c(SS(=O)(=O)c2ccc(cc2)C)cc(c(OS(=O)(=O)N(C)C)c1)C	7671
+CC(C)(C)OC(Oc1ccc(C(C)(C)C)c(OCc2ccccc2)c1)=O	22
+CC(C)(C)c1ccc(cc1O)N	0
+CC(C)(C)c1c(cc([N+](=O)[O-])cc1)OC	65
+CC(C)(C)c1c(ccc(c1)C#Cc2ccc(cc2)C(=O)O)C3(CC3)OCC	6
+CC(C)(C)c1c(O)ccc(c1)CC(N(C)C(C(C(C)C)N(C)C(OCc2ccccc2)=O)=O)C(=O)OC	478
+CC(C)(C)c1cc([N+](=O)[O-])cc(c1O)I	694
+CC(C)(C)c1c(N2CCCCC2)ccc(C=O)c1	146
+CC(C)(C)c1cc(C(C#Cc2ccc(cc2)C(=O)O)O)ccc1N3CCCC3	121
+CC(C)(C)c1cc(C(C#Cc2ccc(cc2)C(=O)O)O)ccc1N3CCCCC3	121
+CC(C)(C)c1c(cccc1)NC(=O)C	26
+CC(C)(C)c1ccc(cc1N)[N+]([O-])=O	77
+CC(C)(C)c1c(cccc1)N2CCN(CC2)C(=O)NCC(=O)O	3
+CC(C)(C)c1c(NC(=O)C)ccc(c1)[N+]([O-])=O	77
+CC(C)(C)c1ccccc1OCCNC	352
+CC(C)(C)c1ccccc1Oc2c(N)cccn2	13
+CC(C)(C)c1ccccc1Oc2c(NC(=O)Nc3ccc(cc3)C)cc(cc2)-c4c(cccc4)C(=O)O	124
+CC(C)(C)c1cc(cc2C(C)(C)COc12)N	1599
+CC(C)(C)c1c2ncccn2nc1NC(Cc3ccc(cc3)Cl)=O	142
+CC(C)(C)c1c(nn2c1nccc2)NC(=O)CCc3ccccc3	195
+CC(C)(C)c1cc(-c2cccc(C(C)(C)C)c2)c(NC=O)cc1	753
+CC(C)(C)c1cc(c(O)c(Br)c1)C=O	502
+CC1(C)OB(OC1(C)C)c2ccc(O)c(c2)C(C)(C)C	17
+CC(C)(C)c1cc(cc(c1O)[N+](=O)[O-])Br	77
+CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=N)NO	181
+CC(C)(C)c1[nH]nc(c1)C(=O)NC2CCCN(c3nc(Nc4ccc(cc4)N(CC)CC)c(C(=O)N)cc3)C2	81
+CC(C)(C)c1cc(cc(OC(COC)COC)c1)C(OC)=O	624
+CC(C)(C)c1cc(OCCOC)cc(c1)C(O)=O	1
+CC(C)(C)c1cc(Cl)nc(C)c1	174
+CC(C)(C)c1cc(c(c(C)c1O)CC#N)C	177
+CC(C)(C)c1cc(nc(c1)Cl)CN(C)C	596
+CC(C)(C)c1cc(c(OC)c(CO)c1)NC(=O)OCC(Cl)(Cl)Cl	90
+CC(C)(C)c1cc(c(N)c(Cl)c1)C	4256
+CC(C)(C)c1nn2cc(Br)cnc2c1	7672
+CC(C)(C)c1cc([N+]([O-])=O)c(OC)c(SC)c1	2869
+CC(C)(C)c1nn(-c2ccc(cc2)[N+](=O)[O-])c(c1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	7673
+CC(C)(C)c1cc(N)n(n1)-c2cccc(O)c2	5
+CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c3ccc(cc3)C)n1	278
+CC(C)(C)c1cc(n(n1)-c2ccc(cc2)C(OC)=O)NC(=O)Oc3ccccc3	278
+CC(C)(C)c1cc(N)n(n1)-c2cccc(OCCN(C)C)c2	20
+CC(C)(C)c1nn(c(NC(OCC(Cl)(Cl)Cl)=O)c1)-c2cccc(OCCN(C)C)c2	278
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(=O)Nc3cc(on3)C(C)(C)C	142
+CC(C)(C)c1cc(NC(Nc2cccc(O)c2)=O)no1	7674
+CC(C)(C)c1nn(c(NC(=O)Nc2c(F)cc(Oc3cc(ncc3)C)cc2)c1)-c4ccc(cc4)CO	98
+CC(C)(C)c1cc(n(-c2ccc(cc2)CCO)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	21
+CC(C)(C)c1cc(NC(=O)NC2c3cc(F)ccc3C(Oc4ccc5nnc(C(C)C)n5c4)CC2)n(C)n1	1962
+CC(C)(C)c1ccc([N+](=O)[O-])c(N)c1	630
+CC(C)(C)c1cc(c(s1)CN)NC(=O)Nc2ccc(cc2)C	7675
+CC(C)(C)c1cc(NC(Nc2cc(Oc3c4cc(OC)c(cc4ncn3)OCC)ccc2)=O)no1	185
+CC(C)(C)c1cc(NC(Nc2cccc(Oc3c4cc(c(F)cc4ncn3)F)c2)=O)no1	185
+CC(C)(C)c1cc(cc(N)c1)C#N	78
+CC(C)(C)c1c(c(c(C(C(C)C)O)c(O)c1)C)OC(=O)C	4257
+CC(C)(C)c1c(c(C(C)(C)C)cc(OC)c1CC=C)OC(=O)C	65
+CC(C)(C)c1cc2OC(Cc2cc1OC(=O)C(C)(C)C)C	4258
+CC(C)(C)c1cc(ccc1Cl)OC(Cl)=O	7676
+CC(C)(C)c1cc(OC(C)C)cc(c1)-c2n(nc(-c3ccc(cc3)C(=O)O)c2)-c4ccc(cc4)C(=O)N	1
+CC(C)(C)c1cc(c(cc1)N)OC	0
+CC(C)(C)c1cc(cc(OCCOC)c1)C(C)=O	1024
+CC(C)(C)c1cc([N+]([O-])=O)c(OC)c(c1)Cl	65
+CC(C)(C)c1cc(N)c(OC)c([N+]([O-])=O)c1	0
+CC(C)(C)c1cc(c(C(O)=O)cc1)N	0
+CC(C)(C)c1cc(c(c(c1)S(C)=O)OC)[N+]([O-])=O	2571
+CC(C)(C)c1cc(N)c(c(c1)Cl)OC	0
+CC(C)(C)c1cc(c(c([N+]([O-])=O)c1)OC)CO	41
+CC(C)(C)c1cc(C)[n+]([O-])c(Cl)c1	375
+CC(C)(C)c1cc(c(cc1)CO)Cl	49
+CC(C)(C)c1cc(c(c(C(C)(C)C)c1OC(=O)C)C)O	805
+CC(C)(C)c1c(cc(c(OS(=O)(=O)N(C)C)c1)C)SC#N	4259
+CC(C)(C)c1c(O)c(c(c(C)c1)CC(=O)Cl)C	130
+CC(C)(C)c1ccc(c(C(C)(C)C)c1)CCCl	221
+CC(C)(C)c1cc(C)cc(c1)Cl	480
+CC(C)(C)c1ccc(c([N+]([O-])=O)c1)NCc2ccccc2	608
+CC(C)(C)c1cc(c(O)c(C=O)c1)-c2nccc(n2)C(F)(F)F	7677
+CC(C)(C)c1c(cc(O)c(c1)Cl)[N+]([O-])=O	4255
+CC(C)(C)c1cc(NC(NC2Cc3ccccc3C2)=O)c(OC)c(c1)CO	1962
+CC(C)(C)c1ccc(c(CO)c1)OCc2ccccc2	41
+CC(C)(C)c1c(C)c(OCCC)cc(C(C)(C)C)c1OC(=O)C	8
+CC(C)(C)c1cc(c(CC(=O)O)c(C)c1O)C	1588
+CC(C)(C)c1cc(c(OC)c(N)c1)S(=O)(=O)NC(C)(C)C	0
+CC(C)(C)c1cc(CO)c(OC)c(N)c1	0
+CC(C)(C)c1cc(c(c(N)c1)OC)S(C)=O	0
+CC(C)(C)c1ccc-2c(OP(Oc3c(OC)cc(cc-23)C)OC4CC(C)CCC4C(C)C)c1	7678
+CC(C)(C)c1ccc(C=O)c(Cl)c1	39
+CC(C)(C)c1cc(OC)c(cc1)[N+]([O-])=O	65
+CC(C)(C)c1c(O)cc2C(C3(CCCCCC3)Oc2c1)O	7679
+CC1(C)OB(OC1(C)C)c2cc(cc(C(C)(C)C)c2)O	17
+CC(C)(C)c1cc(cc(O)c1)C(O)=O	2599
+CC(C)(C)c1cc(cc(c1)C#N)C(O)=O	1
+CC(C)(C)c1cc(cc(C(=O)OC)c1)C#N	274
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(n(C)c2CC3CCCCC3)C(=O)OC	819
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(C(=O)N)n(C)c2CC3CCCCC3	247
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(n(C)c2CC3CCCCC3)C(=O)O	1
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)CN2CCOc3ccc(cc23)C=O	507
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)N2CCN(CC2)C(=O)c3sc(C)cc3	867
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C2SCC(=O)N2CCCO	21
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C=Cc2cc(C)c(c(C)c2)-c3c(cncc3C)C	914
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)NC(c2ccc(o2)-c3ccc(cc3)[N+](=O)[O-])=O	768
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)N(C)c2ccc(cc2)C(=O)O	4260
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)N	0
+CC(C)(C)c1cc(cc(C(C)(C)C)c1OC(C)=O)O	5
+CC(C)(C)c1cc(O)c(c(C(C)(C)C)c1OC(=O)C)CC=C	423
+CC(C)(C)c1c(c(C=Cc2ccc(cc2CO)NS(=O)(=O)C)cc(c1)N3C(=O)NC(C=C3)=O)OC	1146
+CC(C)(C)c1cc(cc(n1)Cl)C(=O)O	1
+CC(C)(C)c1c(OCc2ccccc2)c(cc(c1)C(OC)=O)I	22
+CC(C)(C)c1cc(C(=O)OC)cc(O)c1	47
+CC(C)(C)c1cc(C(C#Cc2ccc(cc2)C(=O)O)O)cc(Cl)c1N(C)C	121
+CC(C)(C)c1c(OC)c(cc(c1)Br)[N+](=O)[O-]	65
+CC(C)(C)c1cc(O)c(C=O)c(c1OC(=O)C)C	502
+CC(C)(C)c1c(c(cc(c1)C(=O)Cl)C#N)OC	82
+CC(C)(C)c1nc(cc(c1)C(=O)Nc2ccc(c(-n3ccn4c3cc(-c5cccnc5)n4)c2)C)Cl	67
+CC(C)(C)c1c2OCC(C)(C)c2cc(NC(C)C)c1	231
+CC(C)(C)c1cc(cc2c1OCC2(C)C)-c3noc(C)n3	4261
+CC(C)(C)c1cccc(c1)B(OC)OC	2159
+CC(C)(C)c1cccc(C2=CC(=O)N(N2)c3nc4ccccc4s3)c1	1916
+CC(C)(C)c1cc(O)ccc1Cl	662
+CC(C)(C)c1cc(c(cc1)[N+](=O)[O-])O	31
+CC(C)(C)c1cc(c(cc1)-c2cc(cc(OC)c2O)C)O	7680
+CC(C)(C)c1cccc(OCCCOc2ccc(cc2)C(C#CC)CC(=O)OC)c1	126
+C[Si](C)(C)C#Cc1cc(C(C)(C)C)c(cc1)C2(CC2)OCC	2823
+CC(C)(C)c1c(ccc(OC(=O)N(C)c2ccc(cc2)F)c1)Cl	1199
+CC(C)(C)c1c(ccc(C=O)c1)N2CCCC2	146
+CC(C)(C)c1cc(CC(N(C(C(C(C)C)NC)=O)C)C(=O)N)ccc1O	679
+CC(C)(C)c1c(cc(c(c1)Br)[N+]([O-])=O)OC(OC)=O	77
+CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)Oc3ccncc3)n(-c4ccc(cc4)CC(=O)O)n1	3
+CC(C)(C)c1cc(n(n1)-c2ccccc2)NC(=O)Nc3cc(Oc4c5cc(OC)c(cc5ncn4)OCCOC)ccc3	446
+CC(C)(C)c1cc(n(-c2nc(N(CCN(C)C)C)ncc2)n1)N	117
+CC(C)(C)c1nn(c(NC(Oc2ccccc2)=O)c1)-c3ccnc(N(CCN(C)C)C)n3	278
+CC1(C)CC(CC(C)(C)N1C)Oc2ccc(C(Nc3ccc(cc3)NC(Nc4n(nc(c4)C(C)(C)C)C)=O)=O)nc2	446
+CC(C)(C)c1cc(NC(=O)Nc2c(F)cc(Oc3cc(ncc3)C)cc2)n(-c4ccc(cc4)C(=O)OC)n1	446
+CC(C)(C)c1cc(n(C)n1)NC(=O)Oc2ccccc2	278
+CC(C)(C)c1cc(NC(=O)Nc2cc(ccc2)C#Cc3cnc(nc3)Cl)n(C)n1	7681
+CC(C)(C)c1cc([n+](cc1)[O-])C	341
+CC(C)(C)c1n(C)nc(NC(C(P(OC)(OC)=O)OC)=O)c1	195
+CC(C)(C)c1c(nn2c(-c3c(c(F)ccc3F)F)nnc2c1)Cl	7682
+CC(C)(C)c1cc(NC(=O)Nc2cc(ccc2)Sc3ncnc4cc(c(OC)cc34)OCCOC)no1	1124
+CC(C)(C)c1c(c(c2c(C=C(C2)C)c1)-c3ccccc3)OCC(C)C	4262
+CC(C)(C)c1cc2C=NN(Cc3c(CO)cc(-c4ccnc(O)c4)cc3)C(=O)c2c(F)c1	104
+CC(C)(C)c1cc(c2C(N(N=Cc2c1)c3nccc(C4=CN(C)C(C(Nc5cc6n(CCOC6)n5)=C4)=O)c3CO)=O)F	269
+CC(C)(C)c1cc(c2C(N(N=Cc2c1)c3c(CO)c(ccn3)C4=CN(C)C(=O)C(Nc5ncc(s5)C)=C4)=O)F	269
+CC(C)(C)c1c(cc2c(c1)OC(C)C2)O	7683
+CC(C)(C)c1c(c(CC(C)C)c2c(OC3(CCCCCC3)C2)c1)O	2616
+CC(C)(C)c1cc2OC3(CCCCCC3)Cc2c(c1O)CC(=C)C	1625
+CC(C)(C)c1ccc2C(CCOc2c1)=NOC	189
+CC(C)(C)c1ccc2N(CC3(CCN(CC3)C(=O)OCc4ccccc4)c2c1)C(=O)c5c(F)cccc5F	448
+CC(C)(C)c1[nH]c2c(cc([N+](=O)[O-])cc2C(=O)O)c1	2160
+CC(C)(C)c1c2c(cc(c1O)C(C)(C)C)OC(C)(CO)C2	173
+CC(C)(C)c1cc2C=NN(c3c(CO)c(Cl)ccn3)C(c2c(F)c1)=O	269
+CC(C)(C)c1cc2C=NN(c3c(c(C4=CN(C(C(Nc5cc6n(CCOC6)n5)=C4)=O)C)ccn3)C=O)C(=O)c2c(F)c1	2870
+CC(C)(C)c1cc2C=NN(c3nccc(c3C=O)C4=CN(C(C(Nc5ncc(s5)C)=C4)=O)C)C(=O)c2c(F)c1	2870
+CC(C)(C)c1cc2c(c(F)c1)C(N(Cc3cc(c(-c4ccnc(O)c4)cc3F)CO)N=C2)=O	104
+CC(C)(C)c1cc2C=NN(Cc3ccc(cc3CO)-c4cc(OC)ncc4)C(=O)c2c(F)c1	498
+CC(C)(C)c1cc2c(c(F)c1)C(N(Cc3cc(c(-c4cc(ncc4)OC)cc3F)CO)N=C2)=O	498
+CC(C)(C)c1cc2c(c(F)c1)C(=O)N(N=C2)c3c(C=O)c(Cl)ccn3	7684
+CC(C)(C)c1cc2c(c(F)c1)C(N(Cc3ccc(cc3CO)Br)N=C2)=O	3288
+CC(C)(C)c1cc2nc(oc2cc1)N3CCN(CCC3)C(N4CCS(CC4)(=O)=O)=O	776
+CC(C)(C)c1cc2cc(ncc2n1CCO)NC(C3(CC3)c4ccc5OC(F)(F)Oc5c4)=O	142
+CC(C)(C)c1cc2cc(ncc2[nH]1)N	664
+CC(C)(C)c1[nH]c2c(cc(cc2CO)N)c1	0
+CC(C)(C)c1cc2c(cc(C(=O)O)cc2)cc1	1
+CC(C)(C)c1cc2ccc3c(-c4ccccc4)ccc5ccc(c1)c2c35	11
+CC(C)(C)c1cc2ccc3ccc(-c4ccc(cc4)Cl)c5ccc(c1)c2c35	11
+CC(C)(C)c1nn2c(nc(C)c(CC(OC)=O)c2Cl)c1	4263
+CC(C)(C)c1cc2nc(C)c(C(C(=O)O)CCC)c(-c3cc4c(cc3)cccc4)n2n1	4
+CC(C)(C)c1cc(c(C(O)=O)cc1)Cl	1
+CC(C)(C)c1c(cc(CO)cc1)[N+]([O-])=O	49
+CC(C)(C)c1c(cc(C(=O)N)cc1)[N+]([O-])=O	169
+CC(C)(C)c1cc(c(CC(=O)C(OCC)=O)cc1)[N+](=O)[O-]	2161
+CC(C)(C)c1cc([N+](=O)[O-])c(cc1)C(O)=O	820
+CC(C)(C)c1sc(C2C(C2)C(=O)O)cc1	3
+CC(C)(C)c1oc(C2C(C(N3CC(C)OC(C3)C)=O)C2)cc1	58
+CC(C)(C)c1ccc(C2C(C(=O)OCC)C2)s1	4264
+CC(C)(C)c1ccc(c(c1)OC)CCN(C)C	15
+CC(C)(C)c1ccc(c(OC)c1)CC(=O)Cl	4265
+CC(C)(C)c1c(SC#N)cc(c(c1)N)[N+]([O-])=O	2871
+CC(C)(C)c1cc(SC(F)(F)F)c(N)cc1	0
+CC(C)(C)c1cc(-c2cccc(C(C)(C)C)c2)c(cc1)N	11
+CC(C)(C)c1cc(c(OCc2ccccc2)cc1)CCl	229
+CC(C)(C)c1cc(c(OC(OC)=O)cc1[N+](=O)[O-])Cl	77
+CC(C)(C)c1cc2NC(Oc2cc1)=S	2872
+CC(C)(C)c1ccc2oc(-c3cc(C(=O)OC)cc([N+](=O)[O-])c3)nc2c1	2453
+CC(C)(C)c1ccc(CC(=O)N(C)C)c(c1)OC	58
+CC(C)(C)c1ccc(c(c1)Oc2scc(C(=O)Nc3c(nc(nc3OC)NCCC(=O)OCC)OC)n2)C	4266
+CC(C)(C)c1ccc(c(c1)Oc2scc(C(=O)Nc3c(OC)nc(nc3OC)NCCS(=O)(=O)NC(C)C)n2)C	4266
+CC(C)(C)c1cc(S(=O)(=O)Cl)c(c([N+](=O)[O-])c1)OC	77
+CC(C)(C)c1cc(c(N)cc1)[N+]([O-])=O	106
+CC(C)(C)c1cc(c(OCc2ccccc2)cc1)C=O	139
+CC(C)(C)c1cc(c(CCN(C)C)cc1)O	5
+CC(C)(C)c1ccc(c(c1)Oc2scc(C(=O)Nc3c(OC)nc(nc3OC)NCCC(=O)O)n2)C	3
+CC(C)(C)c1ccc(cc1)-c2c(C(Nc3cc4ncc(cc4cc3)C(O)=O)=O)cccc2	6
+CC(C)(C)c1ccc(cc1)-c2c(c(cs2)CO)OCOC	4267
+CC(C)(C)c1ccc(cc1)-c2scc(C=O)c2OCOC	2873
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(CC(C)C)c3ccc(cc3)C(OC)=O)C	20
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(CC(C)C)c3ccc(cc3)C(=O)O)C	1
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(C)c3sc(cc3)C(O)=O)C	6
+CC(C)(C)c1ccc(cc1)-c2cc(cc3C(C)(C)CCC(C)(C)c23)C(=O)C=Cc4ccc(cc4)C(=O)O	307
+CC(C)(C)c1ccc(cc1)-c2cc(cc(C(O)=O)c2)Nc3c4ccc(cc4ncc3C(=O)N)-c5c(nc(nc5)OC)OC	179
+CC(C)(C)c1ccc(cc1)-c2cccc(C3C(C)(C)Cc4cc(Cl)cc(C(NS(=O)(=O)C5CC5)=O)c4N3)c2	258
+CC(C)(C)c1ccc(cc1)-c2cccc(C3C(C)(C)Cc4c(c(cc(Cl)c4)C(O)=O)N3)c2	1
+CC(C)(C)c1ccc(cc1)-c2n(C)nc(C(=NNC(c3ccc(c(c3)O)C(=O)O)=O)C)c2O	1
+CC(C)(C)c1ccc(cc1)-c2n(C)nc(C(=NNC(c3ccc(C(=O)OC)c(c3)O)=O)C)c2O	2398
+CC(C)(C)c1ccc(cc1)-c2scc(C(=O)C)c2OCOC	7685
+CC(C)(C)c1ccc(cc1)-c2scc(C(C)O)c2OCOC	7686
+CC(C)(C)c1ccc(cc1)-c2cccc(C3Nc4c(CC3(C)C)cc(cc4C(OC)=O)Cl)c2	11
+CC(C)(C)c1ccc(cc1)-c2c3c(cc(C(C)=O)c2)C(C)(C)CCC3(C)C	368
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)O)C	11
+CC(C)(C)c1ccc(cc1)-c2cc(cc(N)c2)C(=O)O	11
+CC(C)(C)c1ccc(cc1)-c2c(C(Nc3ccc4c(c3)ncc(c4)C(OCC)=O)=O)cccc2	11
+CC(C)(C)c1ccc(C)c(c1)[N+]([O-])=O	31
+CC(C)(C)c1ccc(cc1)-c2n(C)nc(C(=O)C)c2O	4268
+CC(C)(C)c1ccc2c(c1)CCC2=O	7687
+CC1(C)OB(OC1(C)C)c2cccc(c2C)NC(=O)c3ccc(cc3)C(C)(C)C	50
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(ccc2C(=O)OC)[N+]([O-])=O	50
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(-c3nc(c4n(c3)ccn4)Nc5cc6[nH]cnc6cc5)ccc2	50
+CC(C)(C)c1ccc(cc1)C(=O)Nc2c(cccc2)C(OC)=O	50
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(ccc2)-c3cn4c(ncc4)c(Nc5ccccc5)n3	50
+CC(C)(C)c1ccc(cc1)C2=Nc3c(cccc3)C(=O)O2	4269
+CC(C)(C)c1ccc(cc1)C(=O)Nc2c(cccc2)C(O)=O	1
+CC(C)(C)c1ccc(cc1)C(=O)Nc2c(C(OC)=O)ccc(N)c2	0
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2C)C3=CN(C(=O)C(=C3)Nc4ccc(cc4)C(=O)O)C	6
+CC(C)(C)c1ccc(cc1)C(CCCN2CCN(CC2)c3cc(F)c(cc3F)O)=O	5
+CC(C)(C)c1ccc(cc1)C2=Cn3c(cc(C(=O)OCC)n3)C(=O)N2	4270
+CC(C)(C)c1ccc(cc1)C(Nc2c(c(ccc2)C=3N=C(C(N(C=3)C)=O)Nc4ccc(cc4)CCOS(=O)(=O)C)C)=O	7
+CC(C)(C)c1ccc(cc1)C2=C(C(=O)N(c3ccc(cc3)C#N)N2C)C(=O)Cl	7688
+CC(C)(C)c1ccc(cc1)C=2NC(=O)c3ccnn3C=2	7689
+CC(C)(C)c1ccc(cc1)C2=Cn3c(cc(C(=O)O)n3)C(=O)N2	6
+CC(C)(C)c1ccc(cc1)C2=C(C(=O)O)C(N(N2C)c3ccc(cc3)C#N)=O	108
+CC(C)(C)c1ccc(cc1)CC(CN2CCCCC2)C	1028
+CC(C)(C)c1ccc(cc1)C=C(CO)C	2874
+CC(C)(C)c1ccc(cc1)C=CC(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O	3
+CC(C)(C)c1ccc(cc1)C=CC(c2c(cc(OCC=C(C)C)cc2)OCC(OCC)=O)=O	52
+CC(C)(C)c1ccc(cc1)C=CC(c2ccc(cc2O)OCC=C(C)C)=O	307
+CC(C)(C)c1ccc(cc1)C=C(C=O)C	1103
+CC(C)(C)c1ccc(cc1)CNCCN(CC)c2cc(C)ccc2	42
+CC(C)(C)c1ccc(cc1)C2C(C(=O)c3ccc(cc3)OCC(=O)O)=C(O)C(=O)N2c4nnc(C)s4	7690
+CC(C)(C)c1ccc(cc1)COc2ccccc2C=CC(CCc3ccc(cc3)C#N)CCCCC(OCC)=O	22
+CC(C)(C)c1ccc(cc1)CN2C(N(C(=N2)CC3CC3c4ccc(cc4)Br)CC)=O	1712
+CC(C)(C)c1ccc(cc1)COc2c(C=CC(Cc3ccc(cc3)C(=O)OC)CCCCC#N)cccc2	22
+CC(C)(C)c1ccc(cc1)CC(c2ccc(cc2)Cl)=O	7691
+CC(C)(C)C1CCC(CC1)CC(CN2CCCCC2)C	7692
+CC(C)(C)c1ccc(cc1)CC(c2ccc(cc2)Cl)=NN	1713
+CC(C)(C)c1ccc(cc1)COc2ccc(cc2C(CC)=O)[N+](=O)[O-]	139
+CC(C)(C)c1ccc(cc1)CNC(=O)C(C)c2cc(N)c(cc2)N	9
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(C)C(CCCc3ccc(OC(C)(C)C(OC)=O)c(c3)C)C2	27
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(C)C(CCCc3cc(C)c(OC(C)(C)C(=O)O)cc3)C2	3
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(Cc3ccc(cc3)N)CCC2	0
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(CCC2)Cc3ccc(cc3)NS(=O)(=O)C	80
+CC(C)(C)c1ccc(cc1)CN2C(=O)C(C(NCC(=O)O)=O)C(N(C3CCCCC3)C2=O)=O	3
+CC(C)(C)c1ccc(cc1)CN2c3ccccc3N(Cc4ccc(cc4)[N+]([O-])=O)C2=O	1939
+CC(C)(C)c1ccc(cc1)CN2c3c(N(Cc4ccc(cc4)NS(=O)(=O)C)C2=O)cccc3	80
+CC(C)(C)c1ccc(cc1)CN2c3ccccc3N(Cc4ccc(cc4)N)C2=O	0
+CC(C)(C)c1ccc(cc1)CNC(C(C)c2cc3[nH]nnc3cc2)=O	1714
+CC(C)(C)c1ccc(cc1)CNC(=O)c2cc3cc(OCc4ccccc4)cnc3nc2C	7693
+CC(C)(C)c1ccc(cc1)CNC(=O)c2cc3c(ncc(O)c3)nc2C	321
+CC(C)(C)c1ccc(cc1)CNC(=O)c2cc3c(nc2C)ncc(c3)I	7694
+CC(C)(C)c1ccc(cc1)CN(C(=O)c2c3[nH]ccc3cc(Cl)c2)CCN(CC)c4cccc(C)c4	211
+CC(C)(C)c1ccc(cc1)COc2cccc(c2)C(=O)Nc3c(S(=O)(=O)N)cccc3	67
+CC(C)(C)c1ccc(cc1)COc2c(C(CC)=O)cc(NC(=O)Nc3cc(OC)ccc3)cc2	124
+CC(C)(C)c1ccc(cc1)COc2ccc(N)cc2C(CC)=O	0
+CC(C)(C)c1ccc(cc1)COc2ccccc2C=CC(CCc3ccc(cc3)-c4[nH]nnn4)CCCCC(OCC)=O	2162
+CC(C)(C)N1N=CC(SCc2ccc(cc2)C(C)(C)C)=C(COS(=O)(=O)c3ccc(cc3)C)C1=O	7695
+CC(C)(C)c1ccc(cc1)Cn2c(cc3c2ccc(OC)c3)COC(C)=O	204
+CC(C)(C)c1ccc(cc1)Cn2c(CO)cc3cc(ccc23)OC	194
+CC(C)(C)c1ccc(cc1)Nc2ncnc3c2CCN(CC3)c4c(C(F)(F)F)cccn4	73
+CC(C)(C)c1ccc(cc1)Nc2nc(N)nc(c2)Cl	73
+CC(C)(C)c1ccc(cc1)NC(=O)c2cccc(-c3nc(Nc4ccc(cc4)C(N5CCOCC5)=O)c6n(c3)ccn6)c2	67
+CC(C)(C)c1ccc(cc1)N2CCC(O)=C(C2=O)C#N	4223
+CC(C)(C)c1ccc(cc1)N2CCC(OC)=C(C#N)C2=O	7696
+CC(C)(C)c1ccc(cc1)NC(=O)NC(CC)CC(OC)=O	282
+CC(C)(C)c1ccc(cc1)NC(=O)NCCC(=O)OCC	282
+CC(C)(C)c1ccc(c([N+]([O-])=O)c1)NC(C)=O	31
+CC(C)(C)c1ccc(cc1)NC(=O)NC(CCO)CC	95
+CC(C)(C)c1ccc(cc1)NC(NC(CC)CC=O)=O	24
+CC(C)(C)c1ccc(cc1)NC(NCCC(O)=O)=O	3
+CC(C)(C)c1ccc(cc1)NC(=O)NCCCOS(=O)(=O)C	7
+CC(C)(C)c1ccc(cc1)NC(=O)NC(CC)CCN(CC2C3OC(C)(C)OC3C(n4cnc5c(N)ncnc45)O2)C	61
+CC(C)(C)c1ccc(cc1)NC(NCCC(=O)N(CC)CC2C(C(O)C(n3cnc4c3ncnc4N)O2)O)=O	265
+CC(C)(C)c1ccc(cc1)NC(NCCC(N(CC2OC(C3C2OC(C)(C)O3)n4c5ncnc(c5nc4)N)CC)=O)=O	10
+CC(C)(C)c1ccc(cc1)N(CCC(OCC)=O)C(=O)CC#N	429
+CC(C)(C)c1ccc(cc1)NCc2cc(c(cc2)NC(=O)OCC)N	0
+CC(C)(C)c1ccc(cc1)Nc2c3CCN(c4ncccc4Cl)Cc3nc(CN5CCOCC5)n2	43
+CC(C)(C)c1ccc(cc1)Nc2c3CCNCc3nc(n2)CN4CCOCC4	25
+CC(C)(C)c1ccc(cc1)Nc2nc(N)nc(c2)OCc3ccccc3C(F)(F)F	145
+CC(C)(C)c1ccc(O)c(Cl)c1	7697
+CC(C)(C)c1ccc(cc1)Oc2c3ccccc3n(Cc4cc(OCCOC)cc(c4)OCCOC)c2C(OCC)=O	962
+CC(C)(C)c1ccc(cc1)Oc2c(n(c3ccccc23)Cc4cc(OCCOC)cc(c4)OCCOC)C(=O)O	6
+CC(C)(C)c1ccc(cc1)S(=O)(=O)NCC(C)(C)c2c3ccccc3[nH]c2	71
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(c3cnccc3)=O)Cl	69
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc3ncccc3c2	69
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C)C(C)C=2N(c3ccc(cc3)OC)C(c4ccccc4N=2)=O	92
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2nc(Cl)nc(c2Oc3c(cccc3)OC)Cl	570
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C)C(C=2N(c3ccc(cc3)O)C(c4ccccc4N=2)=O)C	5
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C)C(C=2N(c3ccc(cc3)OCc4ccccc4)C(c5ccccc5N=2)=O)C	20
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(c2cc3c(cc2)nccc3)CC(O)=O	32
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(c2cc3c(nccc3)cc2)CC(N(Cc4nc(ccc4)C)CC)=O	10
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CC(N(Cc2nc(ccc2)C)CC)=O)c3ccc(N)nc3	10
+CC(C)(C)c1ccc(cc1)C(c2cc(-c3cc(ccc3)S(=O)(=O)NC4CC4)cnc2N)=O	7698
+CC(C)(C)c1c(cc(cc1)[N+](=O)[O-])O	4271
+CC(C)(C)c1c(cc(cc1)[N+](=O)[O-])O	606
+CC(C)(C)c1c(NC(=O)CC2c3ccccc3Oc4ccccc24)cc(cc1)CCCO	44
+CC(C)(C)c1c(OCc2ccccc2)cc(OCC(OCC)=O)cc1	52
+CC(C)(C)c1ccc2C(CCOc2c1)N	2526
+CC(C)(C)c1ccc2C(CCOc2c1)NC(Nc3c4cc(C)ncc4ccc3)=O	282
+CC(C)(C)c1cc2OCCC(=O)c2cc1	155
+CC(C)(C)c1cc2C3(CCNCC3)CN(C(=O)c4c(F)cccc4F)c2cc1	62
+CC(C)(C)c1ccc2c(ncc(c2Cl)C(=O)OCC)c1	120
+CC(C)(C)c1cc2CC(=NO)C(=O)c2cc1	3659
+CC(C)(C)c1ccc2c(nc(o2)-c3cc(cc(c3)CO)[N+](=O)[O-])c1	49
+CC(C)(C)c1ccc2c(nc(-c3cc(cc(COc4cccc(c4)Cl)c3)[N+](=O)[O-])o2)c1	20
+CC(C)(C)c1ccc2cc(C(OCC)=O)cnc2c1	4272
+CC(C)(C)c1cc2ccc(C(OC)=O)cc2cc1	833
+CC(C)(C)c1cc2c(cc(cn2)C(O)=O)cc1	6
+CC(C)(C)c1ccc2c(c1)nc(-c3cc(cc(c3)[N+]([O-])=O)C(=O)O)o2	1
+CC(C)(C)c1cccc(c1)B(O)O	493
+CC(C)(C)c1c(c(C(c2cccc(-c3c(OC)cccc3)c2)C)ccc1)OCc4ccccc4	4273
+CC(C)(C)c1c(OCc2ccccc2)c(C(C)(c3cccc(-c4c(cccc4)OC)c3)O)ccc1	2157
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)[N+]([O-])=O	77
+CC(C)(C)c1cccc(c1)C=2C(=CN(C)C)C(=O)N(c3sc4c(cccc4)n3)N=2	2163
+CC(C)(C)c1cccc(CN2C(=O)OC3C(CS(=O)(=O)CC23)Cc4cc(c(NC(CNCC)=O)c(F)c4)CC)c1	402
+CC(C)(C)c1cc(CNC2CS(=O)(=O)CC(C2O)Cc3cc(c(c(F)c3)NC(CNCC)=O)CC)ccc1	2875
+CC(C)(C)c1cccc(Nc2cc(nnc2C(=O)N)Cl)n1	1134
+CC(C)(C)c1cccc(OCCCOc2ccc(cc2)C(CC(O)=O)C#CC)c1	4
+CC(C)(C)c1cccc(B(O)OC)c1	493
+CC(C)(C)c1cccc(C2=NN(C(C2=CN)=O)c3sc4c(cccc4)n3)c1	2876
+CC(C)(C)c1cccc(c1O)C(c2cccc(-c3c(OC)cccc3)c2)c4ccccc4	16
+CC(C)(C)c1c(-c2ccncc2)cccc1	498
+CC(C)(C)c1ccccc1CCOS(=O)(=O)c2ccc(cc2)C	36
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4c(C(C)(C)C)cccc4)O	236
+CC(C)(C)c1c(O)ccc(C(C)=O)c1	94
+CC(C)(C)c1c(ccc([N+]([O-])=O)c1)O	77
+CC(C)(C)c1c(cccc1)Oc2c([N+](=O)[O-])cccn2	136
+CC(C)(C)c1ccccc1Oc2c(cc(Br)cc2)[N+]([O-])=O	46
+CC(C)(C)c1ccccc1OCCN(C(=O)Nc2c(cccc2)C(O)=O)C	1
+CC(C)(C)c1ccccc1OCCN(C(=O)Nc2ccccc2C(OC)=O)C	326
+CC(C)(C)c1c(cccc1)Oc2c(cc(-c3c(cccc3)C(O)=O)cc2)N	11
+CC(C)(C)c1c(Oc2c(NC(Nc3ccc(cc3)C)=O)cc(cc2)Br)cccc1	124
+CC(C)(C)c1ccccc1Oc2c(ccc(Cl)n2)N	7699
+CC(C)(C)c1ccccc1Oc2c(N)cc(Br)cc2	0
+CC(C)(C)c1cc(-n2c3c(ccc(c3)Oc4cccc(-n5c6ccccc6cn5)c4)c7ccccc27)ncc1	4043
+CC(C)(C)c1cc(ncc1)C	7700
+CC(C)(C)c1nc(NC(=O)c2c(O)ccc(Br)c2)sc1	173
+CC(C)(C)c1cc2c(n1CCO)cnc(N)c2	664
+CC(C)(C)c1nc2cc(N(S(=O)(=O)c3cccc([N+]([O-])=O)c3)C)ccc2n1CC4CCCCC4	416
+CC(C)(C)c1nc2cc(ccc2n1CC3CCOCC3)NCC	621
+CC(C)(C)c1nc2cc(ccc2n1CC3CCC(F)(F)CC3)N	106
+CC(C)(C)c1n2c(c(-c3cc4c(cc3)ccc(-c5ccccc5)n4)n1)c(ncc2)N	522
+CC(C)(C)c1c(N)c([nH]n1)C(N)=O	209
+CC(C)(C)c1c(C=O)cn(n1)CC(=O)Nc2sc3CCCCc3c2C(NCCO)=O	1460
+CC(C)(C)c1nc(-c2oc3c(c2)cc(cc3)CCC(OCC)=O)sc1	159
+CC(C)(C)c1nc(-c2oc3c(cc(cc3)CSc4ccccc4C(O)=O)c2)sc1	2722
+CC(C)(C)c1nc(-c2oc3c(c2)cc(Cn4cc(c5c4ccc(c5)O)C#N)cc3)sc1	16
+CC(C)(C)c1nc(-c2oc3c(c2)cc(Cn4cc(c5cc(OC)ccc45)C#N)cc3)sc1	65
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)CCCO)sc1	44
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)CCCn4cc(c5c4cc(C)cc5)C#N)sc1	1277
+CC(C)(C)c1nc(-c2oc3ccc(CSc4ccccc4CO)cc3c2)sc1	49
+CC(C)(C)c1nc(-c2cc3cc(ccc3o2)CCl)sc1	229
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)CSc4c(CCl)cccc4)sc1	2164
+CC(C)(C)c1nc(-c2oc3ccc(CO)cc3c2)sc1	41
+CC(C)(C)c1nc(-c2oc3c(cc(cc3)CCCCl)c2)sc1	723
+CC(C)(C)c1nc(C2CC2)cc(Cl)n1	64
+CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCCN)C3CCC3	45
+CC(C)(C)c1csc(n1)NC(=O)c2cc(ccc2OC(C)=O)Br	900
+CC(C)(C)c1nc(N2CCC(C2)O)c3c[nH]nc3n1	4274
+CC(C)(C)c1nc2c(cnn2Cc3ccc(cc3)OC)c(Cl)n1	1203
+CC(C)(C)c1sc(-c2nc(N)ncc2)c(-c3cccc(NS(=O)(=O)c4cocc4)c3F)n1	4108
+CC(C)(C)c1sc(c(-c2c(c(N)ccc2)F)n1)-c3nc(ncc3)Cl	2087
+CC(C)(C)c1nc2c(cc(I)cc2)c(Cl)n1	64
+CC(C)(C)c1nc(cc(C2CC2)n1)N3CCN(CC3)CCCSc4ncccn4	3294
+CC(C)(C)c1nc(C2CCC2)cc(Cl)n1	64
+CC(C)(C)c1cc(cc(C#N)n1)C(Nc2cc(-n3c4n(nc(c4)-c5cccnc5)cc3)c(C)cc2)=O	577
+CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCCNC(=O)c3cnccc3)C4CCC4	56
+CC(C)(C)c1nc(C2CCC2)cc(n1)N3CCN(CC3)CCCCN4C(c5c(C4=O)cccc5)=O	28
+CC(C)(C)c1cccc(Nc2c(nnc(c2)Cl)C(=O)OC)n1	845
+CC(C)(C)c1occ(CC#N)n1	4275
+CC(C)(C)c1c(cnc(n1)N2CCOCC2)C(=O)O	6
+CC(C)(C)c1nc(-c2cc(c(cn2)C3CC3)OC(C)C(F)(F)F)on1	260
+CC(C)(C)c1nc(sc1)-c2cc3c(o2)ccc(c3)OCc4c(OC(C(=N)NO)CCC)cccc4	409
+CC(C)(C)c1nc(sc1)-c2cc3c(o2)ccc(c3)OCc4ccccc4OC(CCC)C#N	143
+CC(C)(C)c1nc(sc1)-c2cc3c(o2)ccc(c3)OCc4ccccc4OC(CCC)C(=O)N	83
+O=S(=O)(N(OC)C)c1c(c(N)ccc1Cl)O	7701
+CC(C)(C)c1sc2c(cc(c(N)c2)N3CCN(CC3)C)n1	0
+CC(C)(C)c1nc2cc(N(C)S(=O)(=O)c3cccc(c3)N)ccc2n1CC4CCCCC4	0
+CC(C)(C)c1sc2c(cc(N3CCC(CC3)C)c(N)c2)n1	0
+CC(C)(C)c1nc2cc(N3CC(C)CCC3)c(N=C=S)cc2s1	333
+CC(C)(C)c1n(c2c(n1)cc(cc2)NC)CC3CCCCC3	2062
+CC(C)(C)c1n(CC2CCC(F)(F)CC2)c3c(n1)cc(cc3)NS(=O)(=O)CC	80
+CC(C)(C)c1n(c2c(n1)cc(N(S(=O)(=O)c3ccc(cc3)NC(=O)N)CC)cc2)CC4CCOCC4	416
+CC(C)(C)c1nccn1S(=O)(=O)N(C)C	2752
+CC(C)(C)c1nccc(-c2scc(c2)-c3c(Cl)cc(NS(=O)(=O)C)cc3)c1	1402
+CC(C)(C)c1n(c(C=O)cn1)S(=O)(=O)N(C)C	7702
+CC(C)(C)c1nn(c(CNC(=O)Nc2ccc(C(CO)CO)c(c2)F)c1)-c3cc(ccc3)Cl	238
+CC(C)(C)c1nn(-c2ccc(cc2)C)c(NC(=O)NCc3cc(F)ccc3Oc4ccnc(n4)Cl)c1	185
+CC(C)(C)c1nn(c(c1)NC(=O)Oc2ccccc2)-c3ccc(cc3)CC(OCC)=O	278
+CC(C)(C)c1cc(n(n1)-c2ccc(cc2)NC(=O)CC(C)(C)C(=O)O)NC(=O)Nc3ccc(cc3)Oc4ccncc4	1979
+CC(C)(C)c1nn(-c2ccc(cc2)N)c(NC(=O)Nc3ccc(cc3)Oc4ccncc4)c1	0
+CC(C)(C)c1cc(n(-c2ccccc2)n1)NC(=O)Oc3ccccc3	278
+CC(C)(C)c1nn(c(NC(C2CC(=O)c3cc(-n4c5ncccc5nc4)ccc23)=O)c1)-c6ccccc6	142
+CC(C)(C)c1c(Cl)c(-c2nc3c(cc(nc3OC)-c4ccccc4Cl)[nH]2)n(n1)C	4276
+CC(C)(C)c1nn(c(C(=O)NC2C(=O)N(C3C(CS(=O)(=O)C(C)C)CC(CC3)N(C(C)C)C)CC2)c1)C	712
+CC(C)(C)c1c(Cl)c(n(C)n1)C(O)=O	6
+CC(C)(C)c1cc(n(-c2ccc(cc2)CC(OCC)=O)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	446
+CC(C)(C)c1cc2nc(C)c(c(-c3cc4ccccc4cc3)n2n1)C(CCC)C(OC)=O	2057
+CC(C)(C)c1nn2c(c(c(nc2c1)C)C(C(=O)OC)CCC)Cl	2877
+CC(C)(C)c1cc2ncc(C#Cc3ccccc3)cn2n1	1472
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(n3)C4CCNCC4)n2)o1	2
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(C4CCN(CC4)C(C(CO)C)=O)n3)n2)o1	10
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(n3)C4CCN(CC4)C(=O)CC(C)O)n2)o1	10
+CC(C)(C)C1=NC2=C(C(C)=C(C(N2N1)=O)c3ccccc3)C#N	7703
+CC(C)(C)c1nnc(NC(N(CCCl)C)=O)s1	221
+CC(C)(C)c1nnc(s1)N2C(CCN(C)C2=O)O	1903
+FC(F)(F)c1ccc(cc1)OC(OC2CCN(C)C(=O)N2c3nnc(C(C)(C)C)s3)=O	405
+CC(C)(C)c1nnc(s1)N2C(OC(Oc3cc(ccc3)[N+]([O-])=O)=O)CCN(C)C2=O	405
+CC(C)(C)c1oc(cc1)C2C(C2)C(=O)O	3
+CC(C)(C)c1oc(C2C(C(OCC)=O)C2)cc1	7704
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(n3)C4CCN(CC4)C(=O)OC(C)(C)C)n2)o1	7705
+CC(C)(C)c1onc(NS(=O)(=O)c2ccccc2)c1Br	2165
+CC(C)(C)c1ccc(C=C)s1	7706
+CC(C)(C)c1sc(nn1)N=C=O	775
+CC(C)(C)c1nc(c(s1)-c2nc(N)ncc2)-c3c(c(N)ccc3)F	911
+CC(C)(C)c1sc(c(-c2c(c(ccc2)NS(=O)(=O)c3c(F)ccc(c3)F)F)n1)-c4nc(ncc4)Cl	69
+CC(C)(C)c1nc(-c2c(c(ccc2)NS(=O)(=O)c3c(cccc3F)F)F)c(s1)-c4nc(ncc4)NCC(C)O	96
+CC(C)(C)c1ccc(C2CC2C(=O)N3CC(C)OC(C)C3)s1	58
+CC(C)(C)c1ccc(s1)S(=O)(=O)Nc2c(c(nc(-c3ncccn3)n2)OC)Oc4c(cccc4)OC	2878
+CC(C)(C)c1nnc(NC(=O)N(CCC=O)C)s1	1110
+CC(C)(C)c1sc2c(n1)cc(N3CCC(CC3)C)c(N=C=S)c2	333
+CC(C)(C)c1sc2c(n1)cc(N3CCN(CC3)C)c(c2)N=C=S	333
+CC(C)(C)c1sc2cc(c(N3CC(CCC3)C)cc2n1)[N+]([O-])=O	1998
+CC(C)(C)c1nc2cc(N3CCCC(C)C3)c(N)cc2s1	0
+CC(C)(C)n1c(cc(C=NO)n1)-c2ccc(cc2)F	688
+CC(C)(C)n1c(Br)c(cn1)-c2scc(CC(=O)O)n2	3
+CC(C)(C)n1c(-c2ccc(cc2)C(F)(F)F)c(cn1)-c3scc(CC(=O)NCC4CCOCC4)n3	1624
+CC(C)(C)n1nc(cc1NC(C(N)C)=O)C2(CCN(CC2)C)c3ccccc3	334
+CC(C)(C)n1c2c(cc(Br)cc2)nc1-c3c(-c4nn(nn4)C)cccc3	1694
+CC(C)(C)n1c2c(CC(C(=O)O)(C)CC2)c(n1)-c3ccncc3	4
+CC(C)(C)n1nc(-c2cc(C(N)=O)sc2)c3c1ccnc3O	104
+CC(C)(C)n1c2c(c(OC)ncc2)c(-c3csc(C(N)=O)c3)n1	7707
+CC(C)(C)n1c2ccc(cc2nc1-c3ccccc3-c4nn(nn4)C)-c5cnc(nc5)N	7708
+CC(C)(C)n1c2nc(ncc2cc1)NC(c3ccc(cc3)C)=O	2879
+CC(C)(C)n1c(nc2cc(ccc12)Br)-c3ccccc3-c4[nH]nnn4	424
+CC(C)(C)n1c2c(c(OC)ncc2)c(-c3csc(c3)C(=O)O)n1	1
+CC(C)(C)n1cc(C(NCCN(C)C)=O)c2cnc(nc12)NC(c3ccc(cc3)C)=O	7709
+CC(C)(C)n1c2nc(ncc2c(c1)I)NC(c3ccc(cc3)C)=O	1996
+CCOC(c1c(Cl)n[nH]c1)=O	7710
+CC(C)(C)n1c2CCC(Cc2c(-c3ccncc3)n1)(C)C(OC)=O	1389
+CC(C)(C)n1nc(cc1N=C2c3ccccc3C(=O)N(c4ccc(cc4)Cl)N2)C	7711
+CC(C)(C)n1nc(CN)cc1-c2ccc(cc2)N3CCCCC3	2880
+CC(C)(C)n1nc(C=NO)cc1-c2ccc(cc2)N3CCCCC3	688
+CC(C)(C)n1nc(cc1-c2ccc(cc2)Cl)CCC=O	24
+CC(C)(C)n1c(CC(C)C)cc(C=O)n1	178
+CC(C)(C)n1nc(CCCN2CCN(CC2)c3ccc(cc3)Cl)cc1-c4ccc(cc4)Cl	61
+CC(C)(C)n1c(-c2ccc(cc2)F)cc(n1)C=O	1406
+CC(C)(C)n1nc(C=O)cc1-c2ccc(cc2)N3CCCCC3	1406
+C1CN(CCC1)c2ccc(cc2)N3C(=O)c4ccccc4C(=N3)Nc5cc(C)n[nH]5	7712
+CC(C)(C)n1ncc(C(N)=S)c1Br	4277
+CC(C)(C)n1ncc(C(=O)N)c1Br	1356
+CC(C)(C)n1c(Cl)c(C(=O)O)cn1	6
+CC(C)(C)n1ncc(C(=O)O)c1Br	6
+CC(C)(C=1C(C(=C(C)C(=O)C=1C)C)=O)CC(=O)OCCCCO[N+](=O)[O-]	456
+CC(C)(C=1C(=O)C(C)=C(C)C(=O)C=1C)CC(=O)Nc2ccc(cc2)CO	33
+C1CC(CCC1NC(c2ccc(-c3cccc(c3)F)nc2)=O)C(C)(C)O	56
+CC(C)(O)C1n2c(COC1)nc3c2c4c([n+]([O-])c3)cccc4	359
+CC(C)(O)C1COCc2n1c3c4ccccc4nc(N)c3n2	445
+CC(C)(c1c(Cl)cc(c(c1)C=O)OC)C=C	146
+c1cc(ccc1C(C)(C)CCO)-c2ccco2	347
+CC(C)(CO)CCC#N	237
+c1cc(ccc1)[Si](c2ccccc2)(OCC(C)(C)C=O)C(C)(C)C	328
+CC(C)(NC(c1ccc(F)cc1F)=O)C(C)O	684
+CC(C)(C=C)c1cc(c(OC)cc1Cl)Br	4278
+CC(C)(C(O)C)c1cc(Br)c(F)cc1	7713
+CC(C)(CCNCCC)O	15
+c1ccc2c(C(=O)N(C2=O)C(C)(C)CC(NCc3c(OCC(OCC)=O)cccn3)=O)c1	9
+c1ccccc1COC(NC(C)(C)CCOC)=O	21
+CC(C)(c1ccc(C)o1)CC(=O)O	4
+CC(C)(CC1OCCO1)CC(=O)OCC	2881
+FC(F)(F)C(CC(C)(C)Cc1cc(Cl)ccc1)(O)C(OCC)=O	4279
+CC(C)(CC(C(OCC)=O)=O)c1cccc(F)c1	4280
+FC(F)(F)C(O)(C(OCC)=O)CC(C)(C)c1cc(F)ccc1	4279
+CC(C)(Cc1n(nc(C(=O)OCC)c1)CCCC)O	4281
+CC(C)(C=1C(=O)C(C)=C(C)C(=O)C=1C)CC(=O)Nc2ccc(cc2)COc3ccc4nc(sc4c3)C#N	22
+CC(C)(CC(=O)O)N1C(c2ccccc2C1=O)=O	672
+CC(C)(CC(OC)=O)O	325
+CC(C)(CC(=O)NCCC)O	248
+CC1(C)C(C)(C)OB(O1)c2cc(C(C)(C)CC(OC)=O)ccc2OC	372
+CC(C)(c1ccc(cc1)C(Nc2nc3cc(C)nn3c(-c4ccccc4)c2)=O)CC(=O)O	4
+CC(C)(CC)C(=O)C(=O)N1C(C#N)CCC1	143
+CC(C)(CC)C(C(=O)N1CCCC1C(=O)O)=O	4
+CC(C)(CC)C(=O)C(N1CCCC1C(N)=O)=O	83
+C1COCCC1Cn2c(C(C)(C)CC)nc3cc(ccc23)NC(=O)C	1264
+c1cc(ccc1CC(O)(c2nc(cn2S(=O)(=O)N(C)C)CC(C)(C)CC)C)-c3c(cccc3)SC	11
+CC(C)(CC)N=C(NC#N)Nc1cc(cc(N=[N+]=[N-])c1)I	7714
+CC(C)(N=NC(Cl)(CCC(OCCCC)=O)C)CC	7715
+CC(C)(CC)c1cc(cc(c1O)[N+]([O-])=O)-c2cccc(C=C3SC(NC3=O)=S)c2	1149
+CC(C)(CC)c1ccc(OCC(=O)Nc2ccc(cc2)Nc3cc(ccc3)O)c(C(C)(C)CC)c1	26
+CC(C)(CC)c1ccc(OC(C(=O)Nc2cc(O)c(cc2)NC(=O)C(F)(F)C(Cl)F)CC)c(c1)C(C)(C)CC	26
+CC(C)(CC)c1ccc(Oc2c(C(=O)O)cc(O)cc2)c(C(C)(C)CC)c1	5
+CC(C)(c1c(c(cc(-c2cccc(c2)CC3SC(NC3=O)=S)c1)[N+]([O-])=O)O)CC	7716
+CC(C)(CC)c1c(O)c([N+]([O-])=O)cc(-c2cccc(C=O)c2)c1	2166
+CC(C)(c1cc(N)c(cc1)[N+](=O)[O-])CC	7717
+CC(C)(CC)c1cc(C(C)(C)CC)c(cc1)Oc2ccc(cc2C(Nc3ccccc3)=O)O	67
+CC(C)(c1ccc(NC(C)=O)c([N+]([O-])=O)c1)CC	77
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3C(OC(CC3)(c4ccccc4)CC(C)(C)C#N)=O	17
+CC(C)(CC1NC(OC1)=O)F	1138
+CC(C)(F)CC(CO)N	886
+CC(C)(CCO)CC1OCCO1	44
+CC(C)(CC=O)CC=C	2359
+CC(C)(CC=C)CCOC(c1ccc(cc1)[N+](=O)[O-])=O	279
+CC(C)(CC=C)CCO	237
+c1cc(ccc1)COC(=O)CC(C)(C)COS(=O)(=O)CCCNC(C)=O	4282
+CC1(C)OC2C(C(n3cnc4c(N)ncnc34)OC2CN(C)CCC(C)(C)NC(=O)OCc5ccccc5)O1	61
+CC(C)(NC(=O)OCc1ccc(cc1)[N+]([O-])=O)CCCO	647
+c1cc(ccc1)COC(CCC(C)(C)C(O)=O)=O	1699
+CC(C)(CCC(=O)O)NC(=O)OCc1ccc(cc1)[N+]([O-])=O	2167
+CC(C)(CCC)C(N)=O	2168
+CC(C)(CC(O)=O)CCC	3
+CC(C)(CCCC(CC=CC(C)=CCO)C)OC	4283
+c1cc(ccc1C(C)(C)CCCC)CC(CCl)C	2753
+CC(C)(CCCCC(O)=O)COC1CCCCO1	459
+c1cc(ccc1OC(=O)C(C)(C)CCCCCC)OCc2ccccc2	385
+CC(C)(O)CCCCN1C(=O)c2n(CC(O)CO)cnc2N(C)C1=O	2386
+CC(C)(CCCCOCCCCI)C(=O)OCC	363
+CC(C)(C(O)=O)CCCCOc1ccc(c(c1CCC)O)C(C)=O	4
+CC1(C)CCCc2c1ccc(Br)c2	957
+CC(C)(CCCl)COC1CCCCO1	219
+CC(C)(CCN1C(=O)c2ccccc2C1=O)COC3CCCCO3	851
+CC(C)(CCNc1nc(-c2n3ccnc(C)c3nc2-c4ccc(F)cc4F)ccn1)O	435
+c1cc(ccc1)C#Cc2ncc(nc2)NCCC(C)(C)O	941
+CC(C)(O)CCNc1nn2c(cc1)ncc2Br	7718
+CC(C)(CCN)COC1CCCCO1	45
+O=S1(=O)NC(=Nc2ccc(cc12)NS(=O)(=O)C)C=3C(N(CCC(C)(C)CC)N=C(C=3O)c4cccs4)=O	7719
+c1cc(ccc1)COC(=O)C(C)(C)CCO	283
+O=S(=O)(C)OCCC(C)(C)CC1OCCO1	7
+CC(C)(CC=O)CCN=[N+]=[N-]	24
+CC(C)(n1ncc(-c2ncnc3c2cc[nH]3)c1)CCOS(=O)(=O)C	7
+CC(C)(O)COc1c(Br)c(ccc1)C=O	72
+c1cc(ccc1N2C(CC3CN(CC3)C(=O)C4CC4)=NN(CC(C)(C)O)C2=O)-c5ccc6occc6c5	4284
+CC(C)(C(C(n1cncn1)Oc2ccc(Cl)cc2Cl)=O)CF	7720
+CC(C)(NC(=O)c1nn(c2C3CC3Cc12)-c4nccc(Cl)c4)CF	81
+CC(C)(CN(C)C)CN1C(C(OC(c2c1ccc(c2)Cl)c3c4ccccc4ccc3)CC(N)=O)=O	83
+CC(C)(CN(C)C)CN1C(=O)C(CC(=O)O)OC(c2c1ccc(c2)Cl)c3c4ccccc4ccc3	3
+CC(C)(CN(c1nc(ccc1)OC2CN(C2)c3ccc(cc3)C(NC(C)=O)C)C)O	640
+CC(C)(CN)CNc1cc(-c2c3cccnc3[nH]c2)cc(Cl)n1	70
+O=S(=O)(NCC(C)(C)CNc1nc(Cl)cc(-c2c3c(nccc3)[nH]c2)c1)c4cnccc4	1362
+FC(F)(F)C(=O)NCC(C)(C)Cc1cccc(Br)c1	605
+FC(F)(F)Oc1ccc(cc1)NC(c2c(Cl)cc(NCC(C)(C)O)c(c2)[N+](=O)[O-])=O	60
+FC(F)(F)c1nc2n(c1CC3CCC(CC3)(F)F)c(cc(C(=O)NCC(C)(C)O)c2)Cl	14
+CC(C)(O)CNC(c1ccc(Cn2c(c(c(n2)C)-c3cc(c(C#N)cc3)Cl)C)cn1)=O	81
+O=S(=O)(C)c1ccc(Oc2cc3cc([nH]c3c(OC)c2)C=4SC(CC(NCC(C)(C)O)=O)CN=4)cn1	9
+CC(C)(O)CNc1c2ccc(cc2ncc1[N+]([O-])=O)Br	105
+c1cc(ccc1)-n2c(cc(C(NCC(C)(C)O)=O)n2)NC(=O)c3c(Cl)cc(Cl)c(c3)-c4ccccn4	81
+CC(C)(CN1C(c2cc(Cc3ccc(cc3)-n4nccc4)c(C)c(C)c2C1)=O)O	7721
+c1cc(ccc1)N2C(C(C(O)=O)=C(N2CC(C)(C)O)C)=O	2882
+CC(C)(CN(C)C)CN1c2ccc(cc2C(OC(CC(OCC)=O)C1=O)c3cccc4ccccc34)Cl	61
+CC(C)(CN1c2c(cc(Cl)cc2)C(OC(CC(N)=S)C1=O)c3c(OC)c(ccc3)OC)COC(=O)C	199
+C1CC1NC(c2cc(F)c(c(-c3ccc4C(N(CC(C)(C)CO)C=C(c4c3)C=O)=O)c2)C)=O	99
+CC(C)(CN1CCC(CC1)CNC(c2c3n(cc(CC)n3)c(N)c(Cl)c2)=O)OC	7722
+CC(C)(CN1C(C(CC(OCC)=O)OC(c2cccc3ccccc23)c4c1ccc(c4)Cl)=O)C=O	24
+CC(C)(CN1C(C(OC(c2cc(Cl)ccc12)c3cccc(c3OC)OC)CC(N)=O)=O)COC(=O)C	83
+CC(C)(COC(=O)C)CN1C(=O)C(OC(c2cccc(c2OC)OC)c3c1ccc(Cl)c3)Cc4sc(cn4)C(OCC)=O	7723
+CC(C)(CNC(=O)c1nc(c2cc(ccc2c1O)Oc3cc4ccccc4cc3)C#N)C(=O)O	3
+CC(C)(Cn1c2c(nc1COCC)cnc3cc(cnc23)Br)O	7724
+CC(C)(C(NCc1cccc(OC)c1)=O)COc2c(c(N)ccc2)C#N	57
+CC(C)(C(OC)=O)COc1ccc(cc1)OC	20
+O=S(=O)(CCCNC(C)=O)OCC(C)(C)C(=O)OCC	7
+O=S(=O)(CCCNC(C)=O)OCC(C)(C)CC=C	7
+c1cc(ccc1)C(=O)Oc2cc3ccc(CCCC(C)(C)CO)cc3cc2N4S(=O)(=O)NC(C4)=O	2676
+C[Si](C)(C)CCOCn1c2c(c(c1)C(=O)NCC(C)(C)CO)nc(-c3c4ccc(cc4n(C)n3)F)cn2	484
+C[Si](C)(C)CCOCn1c2c(nc(cn2)Br)c(C(=O)NCC(C)(C)CO)c1	484
+c1ccccc1COC(=O)NCC(C)(C)CO	101
+c1ccccc1[Si](c2ccccc2)(OCC(C)(C)CN)C(C)(C)C	328
+CC(C)(CO)COC1OCCCC1	219
+c1cc(ccc1Cl)C2(OCC(C)(C)CO2)CSCC(OCC)=O	4285
+c1cc(ccc1C2(OCC(C)(C)CO2)CSCC(OCC)=O)C	4285
+c1cc(ccc1)COCC(C)(C)CO	149
+CC(C)(COC1COCC1)C=O	24
+CC(C)(C=O)COC1OCCCC1	24
+CC(C)(NC(C(Oc1ccc2c(cc(Br)cn2)c1)SC)=O)C=O	24
+CC(C)(C=O)NC(=O)c1ccc(F)cc1F	24
+O=S(=O)(C(C)(C)CO)CCNC(=O)C1=Cc2c(ncnc2Nc3ccc(Oc4cnc(cc4)C)c(C)c3)NCC1	7725
+CC(C)(c1[nH]c2c(cc(cc2)N)c1)CO	0
+c1cc(ccc1F)C(C)(C)C=O	24
+CC(C)(c1n(CC(O)CO)c2cc(F)c(cc2c1)NC(=O)C3(CC3)c4cc5OC(F)(F)Oc5cc4)CO	265
+CC(C)(CO)n1ncc(N)c1	209
+O=S(=O)(OCC(C)(C)n1ncc([N+]([O-])=O)c1)C	7
+CC(C)(CO)n1ncc(c1)Nc2nc(N3C(C(C4CC4)(CN)CC3)=O)ccn2	3844
+CC(C)(C1Cc2c(cc(OC)c(c2)OCCOCC)C3=CC(C(C(O)=O)=CN13)=O)COC	108
+CC(C)(COC)C1Cc2c(C3=CC(C(=CN13)C(OCC)=O)=O)cc(OC)c(OCCOCC)c2	8
+CC(C)(C1Cc2cc(c(cc2C3=CC(C(C(O)=O)=CN13)=O)OC)OCCC4CCCN4C)COC	108
+CC(C)(CCCCC#N)COC1CCCCO1	830
+CC(C)(CO)COC1CCOC1	95
+CC(C)(C#C)COC1CCOC1	1596
+CC(C)(c1ccc(cc1O)N)COCCOC	106
+CC(C)(c1ccc(cc1[N+](=O)[O-])N)COCCOC	77
+CC(C)(COc1ccc(cc1)OC)C=O	24
+c1cc(ccc1S(=O)(=O)OCC(C)(C)CS(=O)(=O)N)C	36
+c1cc(ccc1)C2(C(C(C(c3[nH]c4cc(ccc4c3CC(C)(C)NC(=O)C)C)c5ccccc5)=C2O)=O)C	2883
+CC(C)(CC(C(=O)OCC)=O)Cc1cc(Cl)ccc1	4280
+CC(C)(Cc1cc2c(OCO2)cc1)N	157
+CC(C)(NC(CCl)=O)Cc1cc(Br)ccc1	4286
+CC(C)(Cc1n(nc(c1)C(=O)N)CCCC)O	314
+c1cc(ccc1OC(C)(C)C#C)S(=O)(=O)N(C)C	7726
+CC1(C)c2c(C(C)(C)CC1)cc(C)cc2O	1204
+CC1(C)CCC(C)(C)c2c(O)cc(cc12)Br	1204
+CC1(C)c2cc(Br)c(cc2C(C)(C)CC1)C	1204
+CC1(C)c2c(ccc(O)c2)C(C)(C)CC1	1204
+CC1(C)c2ccc(OC)cc2C(C)(C)CC1	1204
+CC1(C)c2c(ccc(c2)CCCCCC)C(C)(C)CC1	1204
+CC1(C)CCC(C)(C)c2c1cc(CCCO)cc2	1204
+CC(C)(Cn1c2c(c(N)nc3cccnc23)nc1CO)F	59
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c(nc3cc(ccc3c12)OCc4ccccc4)N	445
+CC(C)(O)Cn1c(nc2c(N)nc3c(ncc(c3)-c4cc(ccc4)CO)c12)CO	665
+C1(c2ccccc2C(=O)N1OCc3nc4c(N)nc5ccccc5c4n3CC(C)(C)O)=O	7727
+CC(C)(O)Cn1c(nc2c(nc3ccccc3c12)N)CN4C(c5c(C4=O)cccc5)=O	2884
+CC(C)(Cn1c(nc2c(N)nc3c(ncc(-c4cccc(CO)c4)c3)c12)COCC)O	1151
+CC(C)(O)Cn1c2c(nc1COCC)c(N)nc3c2ncc(-c4cnc(cc4)F)c3	7728
+CC(C)(Cn1c(nc2c(N)nc3ccccc3c12)CCl)O	461
+c12c(C(=O)N(C1=O)Cc3n(CC(C)(C)O)c4c5c(cccn5)ncc4n3)cccc2	2884
+CC(C)(O)Cn1c2c(nc1CNC(C)=O)cnc3c2nccc3	68
+CC(C)(Cn1c(nc2c(nc3cc(cnc3c12)Br)N)COCC)O	461
+CC(C)(O)Cn1c2c3c([n+]([O-])c(c2nc1COCC)N)cccc3	2885
+CC(C)n1ncnc1-c2cn3c(-c4c(OCC3)cc(cc4)-c5cn(cn5)CC(C)(C)O)n2	1715
+CC(C)(Cn1c(COC(C)=O)nc2c1c3ncccc3nc2N)F	7729
+CC(C)(F)Cn1c2c(nc1COC(C)=O)c[n+]([O-])c3cccnc23	4287
+CC(C)(F)Cn1c(nc2c([n+](c3cccnc3c12)[O-])N)COC(C)=O	574
+CC(C)(c1nnc2ccc(F)cn12)N(C)C	757
+c1ccccc1CN(C)C(C)(C)CCO	44
+c1cc(ccc1F)-n2c3ccc(C#CC(C)(C)N(CCO)CC)cc3cc2	1247
+CC(C)(Nc1nc(Cl)c(c(n1)Cl)C#N)C#N	96
+CC(C)(C#N)NC(=O)C(CC)Oc1cc2c(cc1)ccc(OCC)c2	9
+FC(F)(F)c1cc2C(C)(C)CC(c3cccc(c3)NC(C)(C)C(O)=O)N(C)c2cc1	2012
+FC1(F)CN(C1)c2c(nc(C(NC(C)(C)CC(OCC)=O)=O)cc2)OCC3CC3	81
+CC(C)(NC(=O)C(CC)Oc1ccc2c(c1)cc(cn2)I)CCF	9
+CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3c(-c4ccc(cc4OCC3)C(=O)NCC(C)(C)N)s2)c(Cl)c1	14
+CC(C)(CNC(c1n2c(c(cc(C)c2)OCc3c(ccc(c3F)F)F)nc1C)=O)N	312
+c1cc(ccc1)-c2cc3c(cc2)c(NCC(C)(C)N)c([N+]([O-])=O)cn3	105
+CC(C)(N)CNc1cc(cc2c1ccnc2)-c3ccncc3	250
+CC(C)(CNc1ccc(C#N)cn1)N	70
+c1ccccc1COc2ccc3c(c([N+]([O-])=O)cnc3c2)NCC(C)(C)N	105
+FC(F)(F)c1ccc(cc1)C=2OCC(C)(C)N=2	4288
+c12c(cccc1)C(=O)N(C2=O)C(C)(C)CO	672
+CC1(C)COC(=N1)c2c(c(OCC)no2)C	7730
+CC(C)(Nc1scc(n1)-c2ccc(Br)cc2F)CO	4289
+c1c(OC)c(c(cc1C2=NC(C)(C)CO2)OC)Br	4288
+CC(C)(CO)NC(=O)c1ccc(F)cc1F	14
+CC(C)(CO)NC(=O)C(Oc1ccc2c(cc(Br)cn2)c1)SC	9
+c1cc(ccc1-c2ccccc2)Cn3cc4c(n3)NC(=NC(C)(C)CO)N(C4=O)C	7731
+c1cc(ccc1-c2nnn(C)c2COc3nnc(C(NC(C)(C)CO)=O)cc3)F	81
+c1cc(ccc1C(=O)OC)C(NC(C)(C)CO)=O	14
+c1cc(ccc1F)-n2c(COc3cnc(C(NC(C)(C)CO)=O)cn3)c(C)nn2	312
+c1cc(ccc1F)-n2nnc(C)c2COc3ccc(C(NC(C)(C)CO)=O)cn3	56
+CC(C)(N)CSc1nnc(cc1)Cl	1929
+CC(C)(CSc1ccc(Cl)nn1)NCC(O)COc2c(CCOC)cccc2	122
+c1c(F)c(c(cc1C=CC(=O)OC)F)C2NC(C)(C)Cc3c4c(cccc4)[nH]c23	7732
+CC(C)(c1ccc2c(cco2)c1)NC(Nc3ccc(cc3)-c4cc(C)ncc4)=O	2595
+CC(C)(N1CCCC1C)C(N)c2ccccc2	3867
+c1ccccc1C(C)(C)N2C(c3c(c(c(F)cc3I)Cl)C2O)=O	184
+Ic1cc(F)c(Cl)c2CNC(c12)=O	7733
+FC(F)(F)c1nc2ccccc2c(c1)C(NC(c3ccccc3)C(C)(C)N4CCCC4C)=O	14
+C1CC1NC(=O)c2cc(c(c(c2)N3C=CNC(C3=O)=NC(C)(C)c4ccccc4SCCCl)C)F	1518
+CC(C)(NC(C(COC)Oc1ccc2c(c1)scn2)=O)C#CC	3842
+CC(C)(c1ncccc1)NC(=O)N(CC)O	2674
+CC(C)(NC(=O)N(OCc1ccccc1)CC)c2ccccn2	7734
+CC(C)(CCCOS(=O)(=O)c1ccc(cc1)C)NC(=O)OCc2ccc(cc2)[N+]([O-])=O	36
+CC(C)(CC=O)NC(OCc1ccccc1)=O	24
+CC1(C)N=C(C(C)Br)OC1=O	7735
+CC(C)(NC(C(Oc1ccc2ccc(cc2c1)C)CC)=O)COC	3265
+CC(C)(NC(C(SC)Oc1ccc2c(cc(Br)cn2)c1)=O)C=NOCCCC	410
+CC(C)(Cc1cc(Br)ccc1)N	2886
+CC(C)(NC(c1ccc(cc1F)F)=O)C(C)=O	86
+CC(C)(N(C)Cc1ccccc1)CC(=O)OCC	131
+CC(C)(NCCC=C)CN	51
+CC(C)(CNC(c1ccc(c(Cl)c1)Cl)=O)NCCC=C	93
+CC(C)(NS(=O)(=O)C)CNc1c(cnc2cc(ccc12)OCc3ccccc3)N	13
+c1ccccc1COc2ccc3c(ncc4nc(n(CC(C)(C)NS(=O)(=O)C)c34)COCC)c2	546
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c(N)nc3c(ccc(OCC#Cc4cccs4)c3)c12	1990
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c1c3ccc(cc3nc2N)O	16
+CC(C)(NS(=O)(=O)C)Cn1c(nc2c(N)nc3c(cc(O)cc3)c12)COCC	16
+CC(C)(NS(=O)(=O)C)Cn1c(nc2c(N)nc3ccc(OCc4ccccc4)cc3c12)COCC	445
+CC(C)(Nc1nc(NCC)c(C#N)c(Cl)n1)C#N	40
+CC(C)(Nc1nc(NCC)c(c(n1)OC)C#N)C#N	145
+CC1(C)N(c2scc(-c3c(F)cc(cc3)Br)n2)C(OC1)=O	7736
+CC(C)(c1nn2ccccc2c1C(OCC)=O)O	2169
+C#Cc1c(C)ncc(N)c1	2110
+c1(ccc(C#C)c(c1F)F)F	2110
+CC(C)(C(C)NS(=O)(=O)c1ccc(cc1)Br)O	71
+CC(C)(C(Oc1ncnc(c1)OCC#CCC)C)O	1470
+CC(C)(C(Oc1c(cnc(Cl)n1)I)C)OC2OCCCC2	1646
+CC(C)(C1C(N(CC1)c2c(c(Cl)c(cc2)C#N)C#N)C)O	1191
+CC(C)(O)C1C(C)N(CC1)c2cc(F)c(c(Cl)c2C#N)C#N	7737
+CC(C)(C1n2c3c4ccccc4[n+](c(c3nc2COC1)N)[O-])O	574
+CC(C)(O)CCCC(C)C1CCCC2C(=O)CCCC12C	86
+C[Si](C)(C)OC(C)(C)CCCC(C)C1CCCC2C(=O)CCCC12C	19
+c1cc(ccc1CN)-c2n3nc(NCCC(C)(C)O)ccc3nc2	1414
+CC(C)(O)CN1CCC(CC1)(C#N)c2ccc(cn2)N	3983
+CC(C)(Cn1c2c(nc1CCC)cnc3c2ccc(Br)c3)O	730
+CC(C)(O)CNc1c(N)cnc2cc(ccc12)Br	13
+CC1(C)OB(OC1(C)C)c2c(OCC(C)(C)O)cccc2C=O	17
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)OCC(C)(C)O)OC	17
+CC(C)(O)COc1c(cc(N2C(C=C(OCc3ccc(cc3)Cl)N=C2)=O)cc1)OC	7738
+CC(C)(O)COc1c(OC)cc(cc1)N2C=NC(=CC2=O)C3C(c4ccccc4)C3	7739
+C[Si](C)(C)CCOCOC(C)(C)COc1ccc([N+]([O-])=O)cc1OC	433
+CC(C)(O)COc1c(OC)cc(cc1)N2C(=O)C=C(N=C2)Cl	7740
+CC(C)(Cn1c2c3c(cccc3)[n+](cc2nc1COCC)[O-])O	359
+CC(C)(Cn1c2c3c(cccc3)nc(N)c2nc1CN)O	45
+CC(C)(O)Cn1c2c3c([n+]([O-])cc2nc1COC(C)=O)cc(cc3)OCc4ccccc4	359
+CC(C)(Cn1c(CNC(C)=O)nc2c(N)nc3c(nccc3)c12)O	461
+CC(C)(Cn1c(COCC)nc2c(nc3c(cccc3)c12)N)O	445
+c1ccccc1COc2ccc3c([n+]([O-])c(N)c4c3n(c(n4)COC(C)=O)CC(C)(C)O)c2	574
+CC(C)(C)[Si](C)(C)OC(C)(C)Cn1cc(nc1)I	655
+FC(F)(F)Oc1cc(c(cc1)OC=2C=NN(C(=O)C=2)C(CC3CCCCC3)C(Nc4ccn(n4)CC(C)(C)O)=O)Cl	142
+O=S(=O)(C)c1c(C)cc(cc1)C(C(Nc2nn(cc2)CC(C)(C)O)=O)CC3CC(CC3)=O	142
+C1CCCC1CC(C(=O)Nc2nn(cc2)CC(C)(C)O)N3N=CC(=CC3=O)Oc4ccc(cc4)OC	142
+CC(C)(O)Cn1ccc(N)n1	161
+CC(C)(C)[Si](C)(C)OC(C)(C)Cn1c2ccc(Oc3c(cc(cc3)F)C#N)cc2cn1	655
+CC(C)(c1c(c2n(n1)cccc2)C=O)O	576
+CC1(C)OC(=O)Nc2ccc(cc12)Br	7741
+CC(C)c1c(O)ccc(c1)OC	564
+CC(C)(O)c1c2ncc(-c3ccnc(NC4CCC(CC4)C(=O)O)n3)n2ccc1	3
+CC(C)(O)c1c2n(c(cn2)-c3ccnc(n3)S(C)=O)ccc1	172
+c1(cc(cc(F)c1-c2sc(Nc3ccc(-c4cnn[nH]4)c(n3)C)c(c2)C(=O)N)C(C)(C)O)F	4290
+c1(cc(cc(F)c1-c2cc(C(=O)N)c(s2)Nc3nc(-c4cn(C)nn4)ccc3)C(C)(C)O)F	2461
+c1(cc(cc(F)c1-c2sc(Nc3nc(ccc3)Cn4nncc4C(OC)=O)c(c2)C(=O)N)C(C)(C)O)F	2461
+c1cc(ccc1S(=O)(=O)N2CCOCC2)Nc3c(C(N)=O)cc(s3)-c4c(cc(cc4F)C(C)(C)O)F	2170
+c1(cc(cc(F)c1-c2sc(Nc3ccc4c(n3)nsn4)c(c2)C(=O)N)C(C)(C)O)F	4290
+CC(C)(c1cncc(c1)C(=O)O)O	1
+CC(C)(c1ccc2c([nH]c3c2c(c(C#N)cc3C(=O)N)-c4c(C)c(ccc4)N5C(N(c6c(cccc6F)C5=O)C)=O)c1)O	492
+C[Si](C)(C)C#Cc1ncc(cc1)C(C)(C)O	961
+C[Si](C)(C)CCOCOC(C)(C)c1cnc(cc1)Br	433
+CC(C)(O)c1ccc2C(N(c3c(c(Br)ccc3)CO)CCc2c1)=O	41
+CC(C)(O)c1ccc2c3c([nH]c2c1)c(C(N)=O)ccc3-c4c(C)c(N5C(=O)N6C=CC=C(Cl)C6=CC5=O)ccc4	492
+CC(C)(c1cc2[nH]c3c(c(-c4c(C)c(N5C(c6cc(cc(F)c6NC5=O)F)=O)ccc4)c(cc3C(=O)N)Cl)c2cc1)O	492
+CC(C)(c1cc2[nH]c3c(c(-c4cccc(N5C(=O)N(C)c6c(ccc(c6)OC)C5=O)c4C)c(cc3C(=O)N)Cl)c2cc1)O	492
+CC(C)(c1cc2[nH]c3c(c(-c4cccc(c4C)N5C(N(C)c6c(ccc(F)c6)C5=O)=O)c(cc3C(=O)N)Cl)c2cc1)O	492
+CC(C)(c1cccc(N)n1)O	1380
+CC(C)(c1cccc(C)c1N)OCC	1515
+CC(C)(O)c1nc(Nc2cc(nnc2C(=O)N)Cl)ccc1	314
+CC(C)(c1ccc(cn1)-c2c(C)ccc(c2)N)O	156
+CC(C)(OC(c1cc(N=C=O)ccc1Cl)=O)C(OCC)=O	1044
+FC(F)(F)C=1NC(=O)N(C(=O)C=1)c2ccc(Cl)c(C(=O)OC(C)(C)C(OCC)=O)c2	2375
+c1cc(ccc1C(C)(C)OC)N2C(C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)=C(CCC)N=C2CC)=O	1671
+OB(O)c1cc(cnc1)C(C)(C)OC	2028
+C1C(CC1N2c3n(ncn3)C(CCC)=C(C2=O)Cc4ccc(cc4)-c5ccccc5C#N)OCC(C)(C)O	665
+CC(C)(OCC)c1c(CC2CCC(CC2)(F)F)n3c(n1)cc(cc3C)C(=O)O	329
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc(C)c(cc2OC)OC(C)(C)C(=O)OC	262
+CC(C)(C(OCC)=O)Oc1cccc(CN)c1	107
+CC(C)(Oc1cc(C)c(cc1C)S)C(=O)OC	1180
+FC(F)(F)c1ccc(cc1)-c2ccc(nn2)COc3ccc(OC(C)(C)C(OCC)=O)c(c3)C	20
+FC(F)(F)c1ncc(cc1)-c2nc(c(COc3ccc(c(C)c3)OC(C)(C)C(OCC)=O)cn2)CCOC	2171
+FC(F)(F)c1ccc(cc1)-c2csc(NCCOc3ccc(c(C)c3)OC(C)(C)C(OC)=O)n2	7742
+CC(C)(C(=O)O)Oc1cc2c(C(=O)OCc3ccccc3)c(C)[nH]c2cc1	3
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3cc(ccc3)OC(C)(C)C(OCC)=O)c2	20
+c1cc(ccc1)CC(CS(=O)(=O)C(C)(C)C(N)=O)C(=O)OCc2ccccc2	2168
+C1CCN(C1)CC(C)(C)S(=O)(=O)c2cc3sc(N)nc3cc2	902
+CC(C)(C(O)=O)Sc1cc2sc(N)nc2cc1	3
+CC(C)(Cc1ccc2c(c1)OCO2)[N+]([O-])=O	4244
+FC(F)(F)c1cccc(C(Nc2cc(c(cc2)OCC(C)(C)[N+](=O)[O-])-c3n(ncc3Cl)C)=O)c1	262
+CC(C)(Cc1c2c(c(ccc2)OCc3ccccc3)[nH]c1)N	157
+CC1(C)C(C)(C)OB(O1)c2c(C(C)(C)OCOCC)ccc(C)c2	17
+CC[Si](CC)(CC)C#Cc1c(C(C)(C)C(N)=O)cccc1	263
+CC(C)(COCCOC)c1c(cc(NC(=O)C)cc1)O	606
+CC(C)(O)c1c(NC(=O)C)cccc1OC	26
+CC(C)(c1c(N)cc(NC(C)=O)cc1)COCCOC	0
+C(c1ccc(Cl)c(CO)c1)NC(CC)=O	2696
+CC(C)(c1c(Br)cccc1)C(=O)N	645
+CC(C)(c1c(cccc1)OCc2ccccc2)N=C3C(=O)N(c4cc(ccc4C)C(=O)OC)C=C(Br)N3	7743
+CC(C)c1c(C)cccc1OC	564
+CC(C)(c1nnc(nc1Cl)-c2c3ccc(C)nc3n(n2)Cc4c(F)c(F)ccc4)C(=O)OC	7744
+CC(C)(CC(=O)Cc1ccc(C#N)cc1Cl)c2c3c(CCO3)ccc2	86
+CC(C)(c1c2c(ccc1)CCO2)CC=O	378
+CC(C)(c1c2c(CCO2)ccc1)CC(N(OC)C)=O	164
+CC(C)(CN)c1c2ccccc2[nH]c1	51
+CC(C)(c1c2OCCc2ccc1)CC(Cc3ccc(C#N)cc3Cl)O	7745
+CC(C)(c1cccc(-c2ccnc3c2cn[nH]3)c1)CN	51
+CC1(C)C(C)(C)OB(O1)c2cccc(C(C)(C)C#N)c2	17
+c1cc(ccc1[N+](=O)[O-])Oc2ccc(C)c(NC(c3cccc(C(C)(C)C#N)c3)=O)c2	46
+CC(C)(c1cc(C(=O)Nc2cc(ccc2)N(c3nc4c(cn3)nc(N)s4)C)ccc1)C#N	2811
+CC(C)(c1cc(C(Nc2cc(NC(c3cc4nccnc4s3)=O)c(cc2)C#N)=O)ccc1)C#N	180
+CC(C)(c1cc(C(Nc2ccc(c([N+]([O-])=O)c2)C)=O)ccc1)C#N	67
+CC(C)(c1cc(C(Nc2ccc(c([N+]([O-])=O)c2)Br)=O)ccc1)C#N	67
+CC(C)(C#N)c1cccc(NC(Nc2ccc(c(c2)NC(c3sc4c(nccn4)c3)=O)C)=O)c1	4291
+CC(C)(c1cc(C(Nc2cc(Nc3ncc4nc(NC(C)=O)sc4n3)c(Cl)cc2F)=O)ccc1)C#N	67
+CC(C)(c1cc(C(=O)O)ccc1)C#N	1
+CC(C)(CC)c1cc(C(C)(C)CC)c(cc1)Oc2c(C(O)=O)cc(cc2)OC	1
+CC(C)(c1cc(C(=O)Nc2cc(N(C)c3nc(SC#N)c([N+]([O-])=O)cn3)ccc2)ccc1)C#N	4211
+CN(C)CCNc1cnc2c(sc(C(=O)Nc3c(ccc(NC(c4cc(C(C)(C)C#N)ccc4)=O)c3)C)c2)n1	464
+CC(C)(c1cccc(c1)C(Nc2cc(c(cc2)CC)Oc3ncc([N+]([O-])=O)cc3)=O)C#N	136
+CC(C)(c1cc(ccc1)C(Nc2ccc(c(c2)N)Br)=O)C#N	0
+CC(C)(c1cc(ccc1)C(Nc2cc(N)c(cc2)C)=O)C#N	0
+CC(C)(O)c1cc(F)c(CN)cc1	107
+CC(C)(C(=O)N=[N+]=[N-])c1cccc(c1)F	7746
+CC(C)(c1cc(c(cc1)N)N)CC	0
+CC(C)(O)c1cc(N)nc(C)c1	7747
+c1cc(ccc1F)-n2c(C(C)(C)c3cc(c(Cl)cc3)Cl)cnc2	7748
+CC(C)(C(C)=O)c1cc(c(F)cc1)OC	2555
+CC(C)(c1cc(ccc1)C(=O)Nc2cccc(Oc3c(cc(N)cc3)C#N)c2)C#N	0
+CC(C)(c1cc(ccc1)C(=O)Nc2cccc(Oc3c(c4c(cc3)nc(s4)N)C#N)c2)C#N	821
+CC(C)(c1cc(ccc1)C(=O)Nc2ccc(c(N3C=Nc4c(cccc4C3=O)Cl)c2)C)C#N	7749
+CC(C)(c1cc(ccc1)C(Nc2cc(Nc3ccc4c(c3)C(N(C)C(SC)=N4)=O)c(C)cc2)=O)C#N	230
+CC(C)(c1cc(ccc1)C(Nc2cc(ccc2)NC=O)=O)C#N	2887
+CC(C)(c1cc(C(Nc2cc(NC)ccc2)=O)ccc1)C#N	695
+CC(C)(c1cc(C(=O)Nc2ccc(c(c2)NC(c3cc4nccnc4s3)=O)Br)ccc1)C#N	864
+CC(C)(c1cc(F)ccc1)C(O)=O	4292
+CC(C)(OC)c1cncc(Br)c1	76
+CC(C)c1c(OC)cc2C(C)CCCc2c1	564
+CC(C)(C(=O)O)c1cc2c(c(O)c1)C3CC(CCC3C(C)(C)O2)O	100
+CC(C)(c1ccc2OCc3ncccc3C(=CCCN4CCC(N(Cc5ccc(cc5)Cl)CC(OC)=O)C4)c2c1)O	2000
+c1cc(ccc1Cl)NC2(CCN(CC2)CCC=C3c4c(OCc5ncccc35)ccc(C(C)(C)O)c4)C#N	2000
+CC(C)(CO)c1cc2c(ccc([N+](=O)[O-])c2)[nH]1	44
+CC(C)(c1sc2c(c(N3CCOCC3)nc(-c4cnc(nc4)N)n2)c1)OC	7750
+CC(C)(c1cc2c(ccc([N+](=O)[O-])c2)[nH]1)C(OCC)=O	31
+CC(C)(c1cc2cccnc2c(c1)-c3cccc(CC(c4ccc(cc4)SC)C(=O)c5ccccc5)c3)S(=O)(=O)C	155
+CC(C)(c1cc2cccnc2c(c1)-c3cccc(c3)CC(c4ccc(cc4)SC)C=O)S(=O)(=O)C	59
+CC(C)(c1cc2cccnc2c(-c3cc(ccc3)CC(C(c4ccccc4)O)c5ccc(cc5)SC)c1)S(=O)(=O)C	7751
+c1cc(ccc1F)-n2ncc3cc(C(C)(C)C(C)(C)CN)ccc23	15
+CC(C)(c1ccc(C)o1)CCO	21
+CC(C)(c1ccc(C)o1)CC=O	24
+CC(C)(C(=O)O)c1cc(c(cc1)F)OC	4
+CC(C)(c1c(C=C)cc(NC(c2cc(c(cc2)OC)OC)=O)cc1)C#N	50
+CC(C)(CC)c1ccc(N)c([N+](=O)[O-])c1	106
+CC(C)(C#N)c1ccc(c(C)c1)C(C)N	474
+c1cc(ccc1C(C)(C)C(=O)O)-c2cc(cnc2)COC	89
+c1cc(ccc1-c2cncc(C#N)c2)C(C)(C)C(=O)O	89
+CC(C)(c1ccc(cc1)CC(CO)C)CC	1028
+c1cc(ccc1C=C(C=O)C)C(C)(C)CC	1103
+c1cc(ccc1C(C)(C)COC)F	21
+c1cc(ccc1F)C(C)(C)CCC(=O)N(OC)C	978
+c1cc(ccc1F)C(C)(C)CNc2ccc(nn2)Cl	232
+c1cc(ccc1F)C(C)(C)CNc2ncc(cn2)Br	1333
+c1cc(ccc1OCC2COC(C)(C)O2)C(C)(C)c3ccc(cc3)OCC4CO4	267
+CC(C)(c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)c3ccncc3)Cl)CC	69
+CC(C)(COCCOC)c1ccc(cc1)N	0
+CC(C)(c1c([N+](=O)[O-])cc(cc1)NC(=O)C)COCCOC	26
+CC(C)(c1ccc(nc1)C2CC2COc3nc(C)nc(Cl)c3)O	145
+CC(C)(c1ccc2OCc3ncccc3C(=CCCN4CC(N(CC(=O)O)Cc5ccc(cc5)Cl)CC4)c2c1)O	4
+C1CC2CCN1CC2NC(=O)NC(C)(C)c3cccc(-c4ccccc4)c3	11
+CC(C)(c1cc(C(=O)Nc2c(C)ccc(c2)O)ccc1)C#N	50
+CC(C)(c1cc(C(Nc2cc(c(cc2)CC)O)=O)ccc1)C#N	50
+CC(C)(c1cccc(C(=O)Nc2cccc(c2)[N+]([O-])=O)c1)C#N	50
+CC(C)(c1cc(ccc1)C(Nc2cc(N)ccc2)=O)C#N	0
+CC(C)(c1cccc(C(Nc2cc(Oc3ccc4c(sc(NC(C)=O)n4)c3)ccc2C)=O)c1)C#N	290
+CC(C)(C#N)c1cccc(OC)n1	430
+CC(C)(c1cc(ccc1)C(=O)Nc2cc(Oc3ccc([N+](=O)[O-])cc3C#N)ccc2)C#N	46
+CC(C)(c1cccc(c1)C(Nc2cc(Oc3nc4c(cc3)nc(NC(=O)CO)s4)c(CC)cc2)=O)C#N	948
+CC(C)(c1cccc(c1)C(Nc2ccc(c(Oc3ccc(N)cn3)c2)CC)=O)C#N	13
+CC(C)(c1cccc(c1)C(Nc2cc(Oc3ccc4c(sc(N)n4)n3)c(CC)cc2)=O)C#N	2153
+CC(C)(OC1CCCCO1)c2ccccc2Br	219
+CC(C)(OC1OCCCC1)c2c(cccc2)CCC(c3cc(ccc3)C=Cc4nc5c(ccc(Cl)c5)cc4)OS(=O)(=O)C	7
+CC(C)(C(N)=O)c1ccccc1CCc2c(Cl)cnc(Nc3cnn(c3)C)n2	486
+CC(C)(NC(=O)NOCc1ccccc1)c2ncccc2	7752
+CC(C)(c1sc(cc1)Cl)c2nnc(n2C3CC3)C4CC4	2172
+CC(C)(c1sc(cc1)I)c2n(c(nn2)C3CC3)C4CC4	1927
+CC1(C)Cc2nc(ccc2CC1)C(NC(C)(C)c3noc(n3)C)=O	81
+CC(C)(c1nc(Nc2cc(NCCN)nnc2C(=O)N)ccc1)C#N	232
+CC(C)(c1nc(Nc2cc(nnc2C(=O)N)Cl)ccc1)C#N	314
+c1cc(ccc1)C(=O)N=C2NC3(CN(c4nc(c(cn4)F)C(C)(C)O)CC3CS2)c5cnccn5	7753
+CC(C)(OCC)c1nc2cc(cc(n2c1CC3CCC(CC3)(F)F)C)C#N	481
+CC(C)(C#N)c1ccc(cn1)Nc2c3cc(ccc3ncc2[N+](=O)[O-])Br	1332
+CC(C)(c1ncccc1Oc2cnc3c(cccc3c2)F)C#N	3984
+CC(C)(c1ncccc1Oc2cnc3c(cccc3c2)F)C(OCC)=O	2061
+CC(C)(c1ncccc1Oc2cnc3c(cccc3c2)F)C(O)=O	3
+CC(C)(O)c1c(c2n(cccc2)n1)CO	536
+CC(C)(c1nnc(C2CC2)o1)c3cncc(-c4cc5CCc6n(c(nn6)C)-c5cc4)c3	156
+CC(C)(c1nnc2ccc(OC3c4ccccc4C(CC3)N)cn12)N(C)C	870
+CC(C)(n1ncc(c1)-c2ncnc3c2cc[nH]3)CCC#N	300
+CC(C)(C)OC(C(CC(C)C)Br)=O	2173
+FC(F)(F)c1ccc2NC(CC(C)(C)c2c1)c3cc(Br)ccc3	1415
+CC1(C)c2c(c(Cl)cc(C#N)c2)NC(C1)c3cccc(Br)c3	1415
+CC(C)(C)OC1CN(C(C1)C(=O)OCc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3	7754
+CC1(C)c2c(c(cc(C#N)c2)C)NC(c3cccc(Br)c3)C1	1415
+CC1(C)c2c(NC(c3cc(Br)ccc3)C1)ccc(C(=O)OCC)c2	1415
+CC1(C)CC(Nc2c1cc(cc2)C(=O)OCC)c3cc(C#N)ccc3	1415
+CC1(C)CC(Nc2c1cc(cc2)C(OCC)=O)c3cc(C(OC)=O)ccc3	1415
+CC1(C)ON=C(C1)c2cc(c(Cl)nc2)Cl	7755
+CC(C)(C)OC(=O)c1ccc(C)c(c1)OC	2174
+CC(C)(C)OC(c1c(Cl)cc(c(Cl)c1)Cl)=O	2174
+CC(C)(C)OC(=O)c1ccc(cc1O)O	2174
+CC(C)(C)OC(=O)CC1C(=O)N(C(CC)C(OCC)=O)C(c2ccc(cc2)Cl)C(c3cc(Cl)ccc3)C1	2173
+CC(C)(C)OC(=O)C(C(C)C)NS(=O)(=O)c1ccc(cc1)F	2173
+CC(C)(C)Oc1ccc(cc1)Cc2n(C)nc(-c3c(cccc3Cl)F)n2	1658
+CC(C)(C)OC(=O)COCCOCCNC(=O)OCC1c2ccccc2-c3ccccc13	2173
+CC(C)(C)OC(=O)c1c(CCc2ccccc2NC(OCc3ccccc3)=O)cccc1	2174
+CC(C)=C(c1cc(ccc1-c2cc(ccc2F)OC)C(OC)=O)C	7756
+CC(C)=C(C(OC)=O)N1C(CC=C)C([N+]#[C-])C1=O	7757
+CC(C)=C(C(OC)=O)N1C(C(NC=O)C1CC=C)=O	7758
+c1ccccc1COC(=O)NC2C(=O)N(C2CC=C)C(=C(C)C)C(OC)=O	1403
+c1cc(ccc1)C(=O)c2c(O)cc(O)c(c2)C(C)(C)CC	7759
+CC(C)=CC(Nc1cc(C(C(=O)OCC)CCCCC)ccc1)=O	1966
+CC(C)=CC(=O)Nc1cccc(NC(C)=O)c1	1966
+CC(C)=CC(Oc1ccc(cc1)Br)=O	7760
+CC(C)=CC(=O)Nc1ccccc1C	1966
+CC1(C)c2ccc(NC(=O)C)cc2NC(C1)=O	1620
+CC1(C)CC(=O)Nc2c(cccc12)C	1620
+CC1(C)CC(=O)c2c(cc(OC)cc2)O1	4293
+CC(C)(c1cc(c(OC)cc1)OS(=O)(=O)C)CC(=O)O	4294
+CC1(C)Oc2c(cc(c(c2)O)Br)C(=O)C1	4293
+c1cc(ccc1C(C)(C)CC(=O)O)OC	4294
+c1cc(ccc1NC(C=C(C)C)=O)F	7761
+CC1(C)CC(=O)Nc2cc(ccc12)C(C(=O)OCC)CCCCC	1620
+CC1(C)c2c(OC(=O)C1)ccc(Br)c2	7762
+CC(C)=CCn1c([N+]([O-])=O)nc(C)c1	7763
+CC(C)=CCOc1c(Cl)ccc(Nc2nc(N)ccn2)c1	2888
+CC(C)CCC(C(=O)OC)C(O)C	1101
+CC(C)=CCC(c1ccccc1)(C)CNC	110
+c1cc(ccc1)C(C)(CN(C)S(=O)(=O)c2ccccc2)CC=C(C)C	92
+CC(C)=CCC1OC1(C2C(CSCc3ccccc3CCl)(CCC(OC(=O)NC(=O)CCl)C2OC)O)C	7764
+CC(C)=CCC1OC1(C)C2C(C(CCC2(O)CSCc3ccccc3CCl)O)OC	438
+CC(C)=CCCC(=CCCC(=CCCC(C)=CCSCCNC(SC)=C[N+]([O-])=O)C)C	3468
+CC(C)=CCCC(=CCCC(=CCCC(C)=CCSCCNC(=C[N+](=O)[O-])NC)C)C	2063
+O=S(=O)(c1ccc(cc1)C)OCCCC=C(C)CCC=C(CCC=C(C)C)C	36
+CC(C)=CCCC(C)=CCCC(CC(OCC)=O)=O	7765
+CC(C)=CCCC(=CCCC(C)=CCCCO)C	95
+CC1(C)C(O1)CCC(=CCCC(=O)CC(=O)OCC)C	4295
+CC(C)=CCCC(CC(C(OCC)=O)=O)=O	1135
+CC(C)=CCCc1cc(n[nH]1)C(OCC)=O	2889
+CC(C)=CCCC(CC=CC(=CCOC)C)C	3890
+CC(C)=CCCC(C)CC=CC(C)=CCO	2569
+CC(C)=CCCC(CCOC(=O)CCC(=O)Cl)C	130
+CC1(C)OC1CCC2(C)CC2CO	4295
+c1cc(ccc1C(=O)CC2CC=C(CCC=C(C)C)CC2)OC	94
+CC(C)=CCCC=1CCC(CC=1)CCc2ccc(cc2)O	5
+CC(C)=CCCCCCOC	21
+CC(C)CCCCCCO	1101
+CC(C)=CCCCCCO	88
+CC(C)=CCCc1n[nH]c(C(=O)O)c1	6
+CC(C)(Cl)C(=NO)CCn1c([N+]([O-])=O)ncc1	4296
+c1cc(ccc1)C(Oc2cc(c(OCCCCOCC=C(C)C)c(CC)c2)C)=O	126
+CC(C)=CCOc1cc(O)c(cc1)C(=O)C=Cc2c(cccc2)CCCCCCC	307
+CC(C)=CCOc1ccc(C(=O)C=Cc2ccccc2CCCCCCC)c(OCC(OCC)=O)c1	52
+CC(C)=CCn1c2c(N(C(N(CC(=O)c3ccccc3O)C2=O)=O)C)nc1Cl	5
+CC(C)(C(Cn1c(nc(C)c1)[N+]([O-])=O)=NO)Cl	4296
+CC(C)=Cc1cc(CN)ccc1	107
+CC(C)=NOc1c(C(c2ccc3c(c2)ccc(c3)OC)=O)ccc(OC)c1	2890
+c1ccccc1COc2cc(ON=C(C)C)c(C#N)cc2	2890
+CC(C)Nn1c(CCC)nc2c1c3ccc(Br)cc3nc2	4297
+CC(C)Nn1c2c3ccccc3ncc2nc1	4297
+CC(C)[SiH](C(C)C)c1c(C)cc(cc1C)OCCC(=O)O	2891
+CC(C)n1ncnc1-c2sc3c(-c4c(cc(cc4)C5CN(C5)C(C)(C)C#N)OCC3)n2	735
+CC1(C)Oc2c(C1)c(C)c(C)c(C=CC(=O)C)c2Cl	964
+CC(C)(N1C(CCC1)C)C#N	735
+CC(C)NC(CC)C(=O)OC	3794
+CC(C)=Cc1cc(ccc1)C#N	846
+Clc1c(Cl)ccc(c1OC)OC	7766
+Cc1ccccc1-c2cc(c(C(=O)N3Cc4n(Cc5c3cccc5)c(C(=O)O)cc4)cc2)OC	2892
+c1cc(ccc1C2CCCCC2)C(N3c4c(cccc4)Cn5c(C(=O)O)ccc5C3)=O	2892
+c1cc(ccc1C=2CCCCC=2C)C(N3Cc4ccc(C(=O)O)n4Cc5ccccc35)=O	2892
+Clc1cc(cc(Cl)c1Oc2cc(c(Cl)nn2)C(C)C)CC(O)=O	2891
+FC(F)(F)C(O)(c1cc2cnn(c2cc1)-c3ccc(cc3)F)c4c5ncnc(Cl)c5n(CC(CO)O)c4	7767
+FC(F)(F)c1cccc(-c2sc3c(n2)c(C(O)=O)ccn3)c1	4298
+CC(C)NCc1c([N+]([O-])=O)cccc1	87
+c12c(nc(SC)nc1)nc(C)cc2	7768
+CC(C)Nc1c(cc(c(C(OC)=O)c1)C)C#N	231
+Cc1cc2c([N+]([O-])=O)c(Cl)ccc2[nH]1	7769
+CC(C)Nc1ccn[nH]1	1270
+c1nc2N(C(N(C(=O)c2n1C)CCCC(CO)O)=O)C	1886
+COc1ccc(c(I)c1)C=CC(C)=O	964
+Cc1ccc(c(c1)C=CC(C)=O)F	964
+O=S(=O)(c1ccc(cc1)C)n2ccc3c(Cl)c(cnc23)C(=O)O	4298
+c1cc(ccc1)COC(N2C(CC(O)CO)CCCC2C(=O)OC)=O	1951
+c1ccccc1N(CC)CC(O)CO	1951
+c1cc(ccc1-n2c(c(nn2)C(=O)NC3CC3)CCC(CO)O)NC(NCC)=O	1951
+CC(C)NCCCCO	87
+CC1(C)Oc2cc(ccc2O1)C=O	2893
+OC(c1c(cc2OCOc2c1)[N+]([O-])=O)=O	1144
+C(c1cc2c(occ2CCNC(C)=O)cc1)(=O)O	1144
+O1c2c(OC1(C)C)cccc2	2893
+c1ccc2c(c1NC(C)=O)C(=O)CCCC2	3975
+CC(C)NCc1cc(ccc1)-c2cc(ccc2OC)[N+]([O-])=O	87
+CC1(C)CC(=O)c2cc(O)ccc2O1	2003
+CC(C)NC1CCCn2c3ccccc3c(C)c12	87
+CC(C)(O)c1ccc(nc1)Br	1239
+CC(C)(O)c1ncc(cc1)Br	938
+CC(C)(O)c1ccc(nc1)Br	7770
+c1cc(cc(C)c1OC)CCCC(=O)O	2891
+CC1(C)Oc2cc(ccc2C(=O)O1)O	7771
+c1cc(ccc1)C(=O)Oc2cc(C(O)=O)ccc2OC	1144
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCCC(=O)O	4299
+O=S(=O)(C(C(C)(C)O)c1cc(ccc1)OCc2ccccc2)NCc3c(cc(OC)cc3)OC	4300
+c1cc(ccc1OCC2OC(C)(C)OC2)Br	381
+c1cc(ccc1Cl)C(NC(C)C)(C)C(CC=C)c2cc(ccc2)Cl	87
+CC(C)Nc1ccc(cc1)C(C(=O)Nc2ccc(cc2)-c3cc(C)ncc3)C	231
+O1CC(COC1(C)C)c2ccc(cc2)OCc3ccccc3	1526
+c1cc(ccc1NC(C)C)C	231
+CC(C)N1CC2N(CCC2C1)c3ccc(cc3)-c4ccc(cc4)C#N	85
+c1cc(ccc1C#N)Oc2ccc(cc2)C(O)=O	1144
+c1cnccc1-c2cc3N(CCCC)C(C)(C)NC(c3s2)=O	4301
+CC(C)NC(c1ncc(-c2ccccc2)[nH]1)C	87
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCC(=O)O	4299
+c1ccccc1CC(NCCc2c3c(ccc2)ccc(C(=O)O)c3)=O	1144
+c1ccccc1CN2CCC(CC2)NC(C)C	87
+c1ccccc1COC(NC2CCN(C3CCC(NC(C)C)CC3NC(C)=O)C2=O)=O	87
+c1ccccc1COc2c(cc(C(O)=O)cc2F)OC	1144
+c1cc(ccc1)C(S(=O)(=O)NCc2c(cc(OC)cc2)OC)C(C)(C)O	4300
+CC(C)Nc1c(Nc2ccccc2)nccc1	2392
+CC1(C)OB(OC1(C)C)c2cc(OC(C)C)cc(C(C)(C)C)c2	521
+CC(C)n1ncc2c1nc(Br)cc2C(OCC)=O	4302
+CC(C)Oc1cccc(c1)C	521
+CC(C)Oc1cccc2c(nc(nc12)C)Cl	2034
+c1c(F)c(c(cc1C=O)F)OC(C)C	521
+CC(C)n1c2ncnc(N)c2c(n1)I	4302
+COc1cc(cc(OC)c1)C(C(C)C)C#N	3795
+CC(C)Oc1ccc(cc1Br)C(OC)=O	521
+CC(C)Oc1c(Br)c(n(-c2ccccc2)c1C(OCC)=O)Br	2034
+CC(C)n1c2c(nc1)c(NCc3cccnc3)nc(F)n2	2615
+CC(C)Oc1c(Br)ccc2c1c(C)c(C(OCC)=O)o2	521
+CC(C)C#CC(=O)OCC	7772
+c1(Cl)cccc(Cl)c1-n2nnc(C(C)C)c2C(=O)OCC	7773
+CC(C)c1c(c2c(ccc(n2n1)OC)CO)C(OCc3ccccc3)=O	2169
+CC(C)(c1cccc(F)n1)C#N	4178
+c1ccccc1CC(C)(C)C#N	7774
+CC(C)C(Nc1c(cccc1)Cl)=N	4303
+CC(C)C1C(c2c(c(c3oc(cc3c2C1)C(=O)O)C)C)=O	7775
+CC(C)c1nc(-c2ccc(Cl)c(Cl)c2)c(c(n1)O)C#N	4304
+CC(C)C(CC(=O)C(=O)OCC)=O	1135
+CC1(C)c2c(I)cc(cc2N=C1C)I	7776
+CC1(C)c2cc(cnc2N=C1C)Br	7777
+CC(C)(C)OC(Cc1c(C(C)C)noc1C(C)C)=O	7778
+CC(C)c1nn(c(c1)N2CCc3nc(nc(OC)c3C2)-c4c(C)cccc4C)C	7779
+CC(C)C(=O)CC(N1Cc2c(OC)nc(-c3c(C)cccc3C)nc2CC1)=O	7780
+Clc1cccc(Cl)c1CCc2c(c(C(C)C)on2)C(=O)OC	4305
+c1c(Cl)c(c(cc1)Cl)Cc2noc(C(C)C)c2C(=O)OC	4305
+CC(C)C(C(C(=O)OCC)Cl)=O	3667
+c1cc(ccc1Cl)-c2nc(cc(O)n2)C(C)C	4306
+CC(C)c1oc(-c2cc(cnc2N)Br)nn1	3743
+CC(C)C(NNC(c1cc(ccc1)[N+]([O-])=O)=O)=O	3260
+CC(C)c1n2c(nn1)c(ccc2C)C(OC)=O	757
+CC(C)c1nnc2c(C(=O)OC)ccc(Cl)n12	757
+CC(C)c1n2cc(ccc2nn1)F	757
+CC(C)C(=O)Nc1c(cc(C(O)=O)cc1)N	6
+CC(C)C(=O)Nc1c(N)cc(C(OCC)=O)cc1	0
+CC(C)c1n(nnn1)-c2cc(C(OC)=O)cc(-c3ccc(cn3)Cl)c2	4307
+CC(C)C(Nc1c(Oc2c(cc(c(I)c2)OC)C(C)C)cnc(NC(=O)C(C)C)n1)=O	195
+CC(C)C(=O)NNc1ncc(cc1)F	355
+CC(C)C(Nc1cc2cc[nH]c2cc1)=O	33
+CC(C)C(=O)Nc1cccc(Oc2cc(F)cc(Nc3c(F)cc(cc3)I)c2C(N)=O)c1	33
+CC(C)C(c1c(cc(O)cc1)O)=O	214
+CC(C)C(NCCn1c2CCN(Cc2c3cc(ccc13)C)C)=O	9
+CC(C)c1oc2c(n1)cc(cc2-c3ccc(cc3)F)C(OC)=O	1824
+c1cc(ccc1CC(C)(C)C(=O)O)OC	7781
+c1cc(ccc1OC)N(C)c2nc(nc3c2cccc3)CNC(OC(OC(C(C)C)=O)C)=O	3837
+c1cc(ccc1-c2cnc(O)cn2)NC(C(C)C)=O	7782
+CC(C)C(=O)OC1C(Cc2c3ccccc3ccc2)COCC(NC(c4c(O)c(ccn4)OC)=O)C(=O)OC1C	1008
+CC(C)C(=O)OC1C(Cc2c3ccccc3ccc2)COCC(NC(=O)c4c(c(OC)ccn4)OC(C)=O)C(=O)OC1C	4031
+c1cc(ccc1F)CC(C)(C)C(OCC)=O	1161
+CC(C)Cc1c[nH]c2cc(ccc12)Cl	1283
+CC(C)c1noc2ccc(Br)cc12	7783
+CC(C)C(=O)c1cc(ccc1O)OC	5
+CC(C)C(=O)c1c(O)c(Cl)cc(c1)OC	196
+CC(C)C(c1ccc(cc1)CC(C(=O)CC)C(=O)OCC)=O	1251
+CC(C)C(=O)c1ccc(cc1)Cc2c(CC)nc3c(ccc(OCC(=O)OC)c3c2OC(F)F)Cl	1548
+CC(C)C(=O)c1ccc(cc1)Cc2c(OC(F)F)c3c(ccc(c3nc2CC)Cl)OCC(O)=O	4
+CC(C)C(=O)c1c(cc(cc1)OC)OCC(OCC)=O	52
+CC(C)C(c1ccc(C#N)nc1)=O	1704
+CC(C)C(Oc1cccc2c1cc(C)n2Cc3ccccc3)C(=O)OCC	289
+CC(C)C(C(=O)NC(C(=O)Nc1ccc(cc1)CO)C)NC(OCC=C)=O	33
+c1cc(ccc1I)NC(=O)C(C(C)C)C(=O)O	3503
+c1cc(ccc1-c2ccc3c(C(=O)N(C(C(=O)OC)C(C)C)C3)c2)NC(c4c(F)ccc(c4F)C)=O	50
+c1cc(ccc1-c2ocnc2)C(=O)Nc3ccc(cc3)-c4ccc5c(C(=O)N(C(C(=O)OC)C(C)C)C5)c4	3782
+CC(C)C(C(OC)=O)NC(=O)N(Cc1csc(n1)C(C)C)C	468
+c1cc(ccc1-c2ccc(cc2)CO)S(=O)(=O)NC(C(C)C)C(=O)OC	11
+CC(C)c1sc(N)nc1C(=O)OCC	7784
+CC(C)C(C(C)C)(OOC(CN=[N+]=[N-])COS(=O)(=O)C)P(O)(O)=O	7
+CC(C)C(C(C)C)(OOC(CN=[N+]=[N-])CO)P(O)(O)=O	118
+CC(C)C(C(N(CCC)C(CC(c1nc(cs1)C(=O)O)O)C(C)C)=O)NC(=O)C2N(CCCC2)C	1
+CC(C)C(C(N1C(C(=O)OCC(=O)c2cc3COc4cc5C(=O)CCCc5cc4-c3cc2)CCC1C)=O)NC(=O)OC	1231
+C1CC(=O)N(C1=O)OC(C(C(C)C)NC(=O)OCC=C)=O	884
+c1ccccc1COC(NC(C(C)C)C(C(O)=O)O)=O	101
+c1cc(ccc1-c2cc3CN(C(c3cc2)=O)C(C(OC)=O)C(C)C)N	0
+CC(C)c1scc(CN(C)C(=O)NC(C(C)C)C(=O)O)n1	4
+CC(C)c1nc(N)sc1	1102
+CC(C)c1cc(n(-c2cc3scnc3cc2)n1)N	4030
+CC(C)c1onc(c1)C(=O)OCC	3429
+CC(C)C(CN)CC(=O)Nc1cc(Cl)c(cc1)C#N	157
+CC(C)C(c1cc(C)ccc1OC)CCC(N)=O	527
+CC(C)C(CNC(c1ccc2c(C(N(C(N2CC)=O)CC)=O)c1)=O)CC(=O)Nc3ccc(C#N)c(Cl)c3	14
+CC(C)C(NCc1c(cccc1)N)CN2CCC(CC2)Cc3cc(c(Cl)cc3)Cl	0
+C1CCN1CC(C(C)C)N(C(=O)c2ccc(cc2)Cl)CC	30
+c1ccccc1COC(=O)NCCc2oc(C(C)C)cn2	7785
+CC(C)c1c2c(NC(=O)C(O2)C(C)C)ccc1	7786
+CC(C)C1COCC(=O)N1	7787
+FC(F)(F)c1c(ccc(-c2cccc(n2)CNC(CO)C(C)C)c1)F	294
+CC(C)C(C=O)N(C(=O)c1ccc(F)c(C)c1)C	24
+CC(C)C(CO)N(C)C(=O)c1ccc(F)c(C)c1	115
+c1ccccc1COC(NC(Cc2cn(CC=C)cn2)C(=O)NC(C(C)C)COCC=C)=O	9
+CC(C)C(N)Cc1cc(c(F)c(OCCCOC)c1)F	316
+CC(C)C1N=Cc2c(cc(c(F)c2F)OCCCOC)C1	2742
+CC(C)C(=O)Nc1nc(N)c(Oc2cc(I)c(cc2C(C)C)OC)cn1	784
+CC(C)C(N1CC(C)c2c1cc(C)c(O)c2C)=O	192
+CC(C)C(=O)c1c2ccc(Cl)cc2[nH]c1	432
+CC(C)C(=O)Nc1cc(cc(c1)-c2ccc(cn2)Cl)C(OC)=O	26
+FC(F)c1c(cc(cn1)CNC(=O)C(C)C)C(=O)OCC	68
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C)Cc4n[nH]c5c4cc(cc5)OC(=O)C(C)C	385
+CC(C)C(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	68
+c1cc(ccc1)-c2nc(oc2-c3cnc(NNC(=O)C(C)C)cc3)C	1296
+c1cc(ccc1C#N)-c2cncc3C(CCCc23)NC(=O)C(C)C	68
+c1cc(ccc1C)-c2cc(cc(NC(=O)C(C)C)c2)C(=O)OC	26
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(=O)OC)NC(C(C)C)=O	26
+CC(C)C(OC(CC)COc1ccc(cc1)CC)=O	204
+CC(C)C(=O)c1cc(OC)ccc1OC	94
+CC(C)c1nnc2ccc(Cl)nn12	7788
+CC(C)c1n(Cc2ccccc2)c3cc(ccc3c1C(NCc4cc(F)c(cc4)F)=O)OC(C(C)C)=O	385
+CC(C)C(=O)N(Cc1c2ccccc2nc(O)c1)c3ccccc3	192
+C1CC(CCC1)Cn2c3c(cc(cc3)NS(=O)(=O)c4ccccc4)nc2C(C)C	849
+FC(F)Oc1ccc2nc(C(=O)NC(C(N)=O)(C(C)C)C)c(cc2c1)C(=O)O	7789
+Fc1cccc(F)c1S(=O)(=O)Nc2c(ccc(-c3nc(sc3-c4nc(Cl)ncc4)C(C)C)c2)F	873
+CC(C)c1nc(-c2cccc(NC(=O)OCC=C)c2)c(s1)-c3nc(ncc3)Cl	873
+c1c(F)c(c(cc1)F)C(=O)Nc2cccc(-c3c(sc(C(C)C)n3)-c4ccnc(n4)Cl)c2	873
+CC(C)C(N)CN1CCC1	15
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(=O)Nc4c(C(O)=O)c(ccc4)C)C(C)C	1403
+c1cc-2c(cc1)C(c3ccccc-23)C(NCC(NC(C(=O)Nc4cccc(c4C(O)=O)C)C(C)C)=O)=O	207
+CC(C)C(NC(=O)CCCCCCCCCCC)C(=O)O	726
+FC(F)(F)c1ccc(cc1)NC(C(=O)O)C(C)C	7790
+CC(C)C(C(O)=O)NC(OCC=C)=O	544
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C(=O)O	544
+c1cc(ccc1F)S(=O)(=O)NC(C(=O)O)C(C)C	592
+c1cc(ccc1-c2ccc3CN(C(=O)c3c2)C(C(=O)OC)C(C)C)[N+]([O-])=O	1880
+CC(C)C(C(=O)OC)NC(Oc1ccc(cc1)[N+]([O-])=O)=O	544
+c1cc(ccc1[N+]([O-])=O)-c2cc(C)c(C(=O)NC(C(OC)=O)C(C)C)cc2	259
+CC(C)C(NC(=O)Oc1ccccc1)C(=O)OC	544
+CC(C)C(Cc1cc(F)c(c(OCCCOC)c1)F)NC=O	707
+CC(C)C(N1CC(c2c1cc(c(OC)c2C)C)C)=O	65
+CC(C)C(N1CCC(CC1)CBr)=S	199
+C1CN(CCC1Oc2c(c(N)ccc2)C#N)C(C(C)C)=O	57
+CC(C)C(C(=O)O)N1CCCCC1=O	4
+FC1(F)CC(CC1)NC(=O)C(N2Cc3c(F)cnc4[nH]cc(C2=O)c34)C(C)C	9
+CC(C)C(C(N1C(C)CCC1C(O)=O)=O)NC(=O)OC	3
+C1COC2(O1)CN(C(C(=O)OC)C2)C(=O)C(C(C)C)NC(=O)OC	381
+CC(C)C(NC(=O)OC)C(N1CC2(OCCO2)CC1C(NCC(c3ccc(cc3)Br)=O)=O)=O	612
+c1cc(ccc1-c2nc([nH]c2)C3N(C(C(NC(=O)OC)C(C)C)=O)CC(C)C3)Br	10
+c1cc(ccc1Cl)-c2cccc(NC(=O)C3CCCN3C(=O)C(NC(=O)OC)C(C)C)c2	348
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)OC2CCC(CC2)C(=O)OCI	7791
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)OC2CCC(CC2)C(=O)OCCl	7792
+CC(C)C(C(OC)=O)NC(N(C)Cc1ncccc1)=O	437
+CC(C)C(N1CCCCC1=O)C(OC)=O	7793
+CC(C)C(NC1CCCCC1Oc2cccc(N)c2C#N)=O	57
+CC(C)C(NCCCOc1cc2c(cc1)c3c(c(n2)N)nc(CCO)n3CCC)=O	88
+CC(C)C(NCc1c(c(Cl)cnc1)CO)=O	168
+CC(C)c1nnc(-c2cc(ccc2)[N+]([O-])=O)o1	877
+CC(C)c1nc2c([nH]1)c(Cl)ccc2	7794
+CC(C)C1(CCN(C(O1)=O)C(c2ccc(cc2)Br)C)CC(=C)C	7795
+CC(C)n1cnc2c(nc(NC(CC)C(C(C)C)O)nc12)NCc3cccnc3	1333
+CC(C)C(O)CNC(CCNC(=O)OCc1ccccc1)=O	9
+CC(C)C(CNC(CCNC(=O)OCc1ccccc1)=O)=O	86
+CC(C)C(=O)c1cc(Br)ccc1O	155
+CC(C)C(c1cc(C)c(cc1OCC(=O)OCC)OC)O	52
+CC(C)C(=O)c1cnc(cc1)Br	716
+CC(C)C(=O)NCCN	248
+c1ccccc1CCCCCCC(C)(C)C(OC)=O	3675
+CC(C)Cc1c(O)cc(cc1)O	165
+CC(C)C(=O)c1ccc(cc1O)OC	65
+CC(C)C(c1cc(C)ccc1OC)CCC(=O)O	4308
+CC1(C)C(Nc2c(C(OC)=O)cc(cc2C1O)Cl)c3cccc(c3)Br	7796
+CC(C)C(c1cc(c(NC)cc1)[N+](=O)[O-])=O	205
+CC(C)C(c1ccc(c(c1)[N+]([O-])=O)NC)n2cncc2	4309
+CC(C)C(c1cc([N+]([O-])=O)c(cc1)NC)O	74
+CC(C)c1c2cc(ccc2[nH]n1)O	4310
+CC(C)C(=O)c1ccc(cc1)Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O	2175
+FC(F)(F)c1[nH]c2c3c(C(C(=C(C(C)C)O3)c4ccc(cc4)Cl)=O)ccc2n1	1640
+CC(C)C=1Oc2c3c(ccc2C(=O)C=1c4ccc(cc4)Cl)[nH]cn3	631
+CC(C)c1c(nc(SC)nc1O)C	4311
+CC(C)C1=CCC(C)(C)c2c(c(c(cc12)C(C)=C(F)C=CC(C)=CC(=O)OCC)OC(C)C)Br	7797
+CC(C)C1=CCC(C)(C)c2c(c(c(cc12)C(=C(F)C=CC(=CC(=O)O)C)C)OC(C)C)Br	108
+CC(C)C1=CCC(C)(C)c2c(Br)c(OC(C)C)c(C(C)=C(C=O)F)cc12	4312
+CC(C)C1=CCC(C)(C)c2c1cc(C(=C(CO)F)C)c(c2Br)OC(C)C	4313
+FC(F)(F)Oc1ccc(cc1-c2cc3c(C(C)(C)CC=C3C(C)C)cc2C)C=O	11
+CC(C)C=1N(c2ccc(cc2)Cl)C(c3ccc(cc3N=1)N)=O	0
+CC(C)C1Oc2c(N(CC(O)=O)C1=O)cccc2C(C)C	4
+CC(C)C1C(CC(CC1)C)C(=O)NCCc2ccccc2C#N	180
+CC(C)C1CCC(CC1C(Cl)=O)C	130
+c1ccccc1C=2N(C(=O)C(N(C(C)=O)C=2)C(C)C)CC(O)=O	3
+CC(C)C1C2C3C(C1CC2)CCCC3NC(=O)c4c(F)n(nc4C(F)F)C	4314
+CC(C)C1CCCC(C1)C(C)C(C=O)C	7798
+C1CN(CCC1C(O)=O)Cc2cc3ccc(OC4CCC(CC4)C(C)C)cc3cc2	3
+c1cc(ccc1)C(O)CNC(C2C(CCC(C)C2)C(C)C)=O	68
+CC(C)C1CN(c2nnc(N)cc2)CCN1C(=S)Nc3cccc4c3cccn4	1366
+CC(C)C1COC(=O)N1c2nc(ncc2)NC(c3ccc(cc3)CO)C	1333
+c1cc(ccc1C(Nc2nccc(N3C(COC3=O)C(C)C)n2)C)C=O	39
+CC(C)C1COCCN1	15
+CC(C)C1N2C(c3c(cc(OCCCOC)c(F)c3F)C1)CC(=O)C(=C2)C(=O)OCC	2745
+c1cc(ccc1)CN2C(C)(C)C(NC(C2)C(C)C)=O	1330
+c1cc(ccc1CNc2ccc(nn2)N3CCNC(C(C)C)C3)OC	232
+CC(C)C1NCCN(c2ccc(nn2)Cl)C1	212
+c1cc(ccc1CN2CC(OCC2)C(C)C)Br	131
+c1cc(ccc1OC)CNc2cc(cc(F)c2)CN3C(C(=O)c4cc(C#N)cc(c4)C)=C(C(C)C)C(=O)NC3=O	7799
+CC(C)c1c(C)nc2ccnn2c1Cl	7800
+CC(C)c1cc(O)cc(O)n1	4315
+CC(C)C1=C(C(=O)c2c(c(c(N)cc2)N)O1)c3ccc(cc3)Cl	0
+CC(C)C=1Oc2c(C(=O)C=1c3ccc(cc3)Cl)ccc(NC(OCc4ccccc4)=O)c2Br	7801
+CC(C)C=1Oc2c(C(C=1c3ccc(cc3)Cl)=O)ccc(N)c2[N+]([O-])=O	4316
+CC(C)C=1Oc2c(c(ccc2C(=O)C=1c3ccc(cc3)Cl)NCc4ccc(cc4)OC)[N+]([O-])=O	7802
+CC(C)C=C(c1ccc(cc1)S(=O)(=O)CCOC)c2cc3c(n2S(=O)(=O)c4ccccc4)ncc(F)c3	7803
+C1CN(CCN1CC(C)C)c2ccccc2C3=CC(C)(C)C(C)(C)C3	61
+CC(C)C(c1cc(Cl)cc(C(OC)=O)c1N=Cc2cc(Br)ccc2)O	1512
+FC(F)(F)c1c(C(C(C)C)O)c(ncc1)Cl	1831
+CC(C)(C=O)CCC#N	7804
+CC(C)CNc1cc(ccc1NC(=O)COc2cc(ccc2)OCC)O	291
+CC(C)CNc1ccc(C)cc1C	291
+CC(C)C(O)c1ccc(Br)nc1	7805
+c1cc(ccc1C#N)-n2c3c(c(NCC(C)C)ccc3)nc2	839
+c1cc(ccc1C(=O)NC)-n2cc3c(CCN(CC(C)C)CC3)n2	61
+CC1(C)C(Nc2ccc(cc2C1O)C(=O)OCC)c3c(C)ccc(F)c3	2894
+CC1(C)C(O)c2c(ccc(C(=O)OCC)c2)NC1c3cccc(c3)Br	2894
+O=S(=O)(c1cc2C(C(C)(C)C(Nc2cc1)c3cc(ccc3)[N+](=O)[O-])O)C	2894
+CC(C)CC1CSC(=Nc2c(C)cc(cc2)Cl)N1CC(C)C	7806
+CC(C)COc1cc(ccc1)OCc2nc3ccccc3n2CC(C)C	656
+CC(C)CN1C(N(CC1)c2nc(c(s2)C(OCC)=O)C)=O	1794
+C[Si](C)(C)CCOCn1c2C(N(C(Cl)=Nc2nc1C3CCCC3)CC(C)C)=O	7807
+CC(C)COc1c(cc(Cl)cc1)C	8
+CC(C)COc1c(cc(Cl)cc1)Cc2oc(C(=O)OCC)cc2	8
+CC(C)CON=C(C(=O)C)C(OCC)=O	1071
+CC(C)COc1c(OC)c(OCC)ccc1-c2ccc3C(=O)OCc3c2	8
+CC(C)COc1cc(OCC)cc(CO)c1	8
+CC(C)COc1cc(ccc1)O	8
+CC(C)Cn1c2c(cc(cc2)OC)cn1	1090
+CC(C)COc1ccc(Br)cc1C#N	8
+CC(C)Cn1c2cc(Cl)cc(c2c3c1cccc3)C	935
+CC(C)COC(c1cc(ccc1)-n2c3ccc(cc3cn2)I)=O	1908
+c1ccccc1C2(c3ccccc3)CCCN(C2=O)Cc4onc(-c5ccc(cc5)OCC(C)C)n4	8
+CC(C)CC(=CCCC(CC)=CCOc1cc2c(OCO2)cc1)C	2888
+c1cc(ccc1F)-c2nc(CC(=O)OCC)c(CC(C)C)o2	7808
+CC(C)CC(CCC)N	316
+c1cc(ccc1C(=O)NCC(CC(C)C)=O)F	2895
+Cc1nc(nc(C)c1)NCCCCCN(C(=O)CCCCCCCCCCCCC)CCCNC(=O)CC(C)C	68
+c1(nc(nc(N)c1NC(CC(C)C)=O)-n2nc(Sc3ccccc3F)c4c2cccc4)N	1616
+CC(C)CC(=O)N1CC(CCC1)COc2c(C#N)c(ccc2)[N+](=O)[O-]	58
+CC(C)CC(c1c2c(sc1-c3ccc4c(Br)c(ccc4c3)OCC#N)cccc2)=O	1487
+CC(C)CC(=O)c1cc2cc(oc2c(C)c1C)C(=O)O	94
+CC(C)CC(Nc1c(C(=O)N)nc2ccccc2n1)=O	1841
+CC(C)CC(=O)N1CC(COc2c(C#N)c(N)ccc2)CCC1	0
+O=S(=O)(N)Nc1cccc(OCC2CN(C(CC(C)C)=O)CCC2)c1C#N	1630
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NC(CC(C)C)c3ccc(C(=O)OC)cn3	7809
+CC(C)Cc1scc(C(OCC)=O)n1	4317
+c1ccccc1C(c2cc(c(cc2O)OC(CC(C)C)C)C(C)(C)CC)=O	521
+O=S(=O)(N1C(CSCC1)CCNC(=O)C(NC(=O)c2cc3ccccc3s2)CC(C)C)c4c(cc(cc4)Cl)Cl	92
+CC(C)CC(C(=O)Nc1nn(cc1)CC(CO)O)N2C(=O)C=C(C2)Oc3c(c(OCC)ccc3F)F	265
+CC(C)CC(C(O)=O)C(O)=O	3
+CC(C)CC(C(=O)Nc1ccn(CC2OC(C)(C)OC2)n1)N3C(=O)C=C(C3)Oc4c(c(OCC)ccc4F)F	142
+c1ccccc1C2C=CCC(NC(=O)C(NC(=O)C(O)CC(C)C)CC(C)C)C(=O)N2CCOC	207
+CC(C)CC(C(=O)NCC#N)NCc1ccc(cc1)Br	9
+CC(C)CC(C(O)=O)Nc1c(F)c2CN(Cc3ccc(OC)cc3OC)C(=O)c2c(Cl)n1	4
+CC(C)CC(C(O)=O)c1c(cc([N+]([O-])=O)c(F)c1)F	3
+CC(C)CC(c1nc(sc1)-c2ccccc2)C(=O)O	3
+c1cc(ccc1)COC(C(CC(C)C)C(=O)OCC=C)C(=O)OC	1907
+CC(C)CC(C(=O)OCC)c1csc(-c2ccccc2)n1	7810
+CC(C)CC(CC(=O)NOCc1ccccc1)C(NC2Cc3c4c(cccc4)n(c3)CCCCCCNC2=O)=O	293
+c1ccccc1COC(N2CCCC(NC(C(NC(c3cc4c(cccc4)o3)=O)CC(C)C)=O)C(O)C2)=O	1585
+O=S(=O)(N1CC(CNC(C(CC(C)C)NC(c2cc3ccccc3s2)=O)=O)C(O)C1)c4ccc(cc4Cl)F	92
+CC(C)CC(C(=O)Nc1ccc(-c2ocnc2)c(c1)OC)Br	33
+CC(C)CC(=C)C(O)=O	3620
+O(C)C(OC)CNC(=O)C(CC(C)C)CSC(C)=O	9
+CC(C)CC(O)C(=O)O	2631
+CC(C)CC(Nc1ccc(cc1)Br)C(O)=O	2012
+CC(C)CC(NC(=O)c1cc2ccccc2s1)C(NCCCC(NS(=O)(=O)c3c(cc(cc3)F)Cl)CO)=O	9
+CC(C)CC(NC(=O)c1cc2ccccc2s1)C(NCCCN(S(=O)(=O)c3ccccc3[N+]([O-])=O)C)=O	9
+CC(C)CC(Nc1c(c2c(c(-c3cnn(C)c3)n1)C(N(Cc4ccc(OC)cc4OC)C2)=O)F)C(O)=O	1396
+CC(C)CC(C(=O)OCC)c1cc(c([N+]([O-])=O)cc1F)F	27
+CC(C)CC(NC(OCc1ccccc1)=O)C(CC(=O)NC(C)C(NC(C(O)CC(=O)OC)CC(C)C)=O)O	9
+CC(C)CC(C(O)=O)C(CCC)O	4
+c1cc(ccc1)CCC(C(NC)=O)NC(=O)CC(CC(C)C)C(OC)=O	207
+Fc1cccc(F)c1COc2cccn3c2nc(C)c3C(=O)NCC(CC(C)C)(N)C	312
+CC(C)CC(C)NCCCCCCCCCCCC	87
+CC(C)CC(C)Nc1ccc(cc1)OCC	231
+c1ccccc1COC(=O)NC(C=C)CC(C)C	4318
+CC(C)CC(CC(=O)NO)C(=O)NC1Cc2c3c(cccc3)n(c2)CCCCCCNC1=O	1697
+CC(C)CC(CCC)NC(=O)c1cc(C)c(OC)cc1	14
+CC(C)CC1CSC(=Nc2c(cc(cc2)Cl)C)N1	7811
+CC(C)CC(CO)Nc1c2cc(cn2ncc1C(=O)N)Br	719
+CC(C)CC(CO)NC(c1cc(Br)c(Cl)nc1)=O	56
+CC1(C)OCC(CC(C)C)N1C(c2cc(Br)c(nc2)Cl)=O	7812
+CC(C)CC(CO)Nc1c(cnn2cc(cc12)-c3cc(N(C)C)ccc3)C(=O)N	550
+CC(C)CC(C(=O)NC)NC(C(CC(C)C)CP(CN1C(CCCC1=O)=O)(=O)O)=O	228
+CC(C)CC(Cc1c(cccc1)Br)C(NCC#N)=O	9
+c1cc(ccc1F)Cc2c(C3CC3)ccc(n2)C(NC(C(N)=O)CC(C)C)=O	712
+CC(C)CC(NC(C(O)CC(C)C)=O)C(OC)=O	188
+CC(C)CC(C(=O)OC)NC(=O)c1c(cc([N+]([O-])=O)cc1)-c2c(C)cccc2	259
+FC(F)(F)c1cccc2c1CN(C2=O)C(C(OC)=O)CC(C)C	1880
+CC(C)CC(N1CC(=CC1=O)Oc2c(c(OCC)ccc2F)F)C(=O)OC	2546
+CC(C)CC(N1C(=O)C=C(Oc2cccc3c2cccc3)C1)C(=O)OC	2546
+c1cc(ccc1Br)CNC(CC(C)C)C(OC)=O	1528
+c1ccccc1COC(NC(C(NC(CC(C)C)C(=O)OC)=O)CC(=O)N)=O	188
+CC(C)CC(N1CC(=CC1=O)Oc2cccc3c2cccc3)C(=O)O	4
+CC(C)CC(C(=O)O)N1C(=O)C=C(Oc2c(c(OCC)ccc2F)F)C1	4
+CC1(C)OC(CO1)Cn2nc(cc2)NC(=O)C(N3CC(=CC3=O)Oc4cccc5c4cccc5)CC(C)C	142
+C1CC1c2nc(-c3cc(NC(=O)NCC)ncc3-c4ccc5c(c4)C(=O)C(C(=O)OCC)=CN5C(CC(C)C)CO)sc2	1617
+CC(C)CC(C(NN(C(=O)C(O)(C)C(=O)OCC)C)=O)NC(C(C)NC(C(C)NC(C)=O)=O)=O	1038
+O=S(=O)(c1ccc(cc1Cl)C#N)N(CCCNC(=O)C(NC(=O)c2cc3ccccc3s2)CC(C)C)C	92
+c1ccccc1COC(NC(CC#C)C(=O)NC(CC(C)C)C(=O)OC)=O	1403
+CC(C)CC(C(=O)O)NC(C(CC(C)C)O)=O	4
+CC(C)CC(C(O)CC(=O)OC)NC(C(NC(CC(C(N)CC(C)C)O)=O)C)=O	102
+O=S(=O)(c1cnccc1)N2CC(C(NC(=O)C(NC(c3cc4c(cccc4)o3)=O)CC(C)C)CCC2)O	1027
+c1ccccc1C(=O)N2CCCC(NC(C(NC(c3cc4c(cccc4)o3)=O)CC(C)C)=O)C(C2)O	30
+CC(C)Cc1nc(c2nc3ccccc3nc2n1)O	7813
+CC(C)CC(Nc1c(F)c2c(c(-c3cnn(C)c3)n1)C(NC2)=O)C(NC)=O	4319
+CC(C)CC(Nc1c(F)c2CN(Cc3ccc(OC)cc3OC)C(=O)c2c(n1)-c4cnn(C)c4)C(=O)NC	9
+CC(C)CC(C(=O)NCC#N)Nc1ccc(cc1)Br	9
+O=S(=O)(n1c2ccc(-c3nnc(o3)CC(C)C)cc2c(I)c1)c4ccc(cc4)C	7814
+c1ccccc1C(CC(C)C)=O	214
+c1ccccc1COC(C(CC(C)C)O)=O	1699
+CC(C)CC(Sc1ccc(cc1)Br)c2ccc(cc2)C(=O)O	1
+FC(F)(F)Oc1ccc(cc1)-c2ccc(cc2)SC(c3ccc(cc3)C(NCCC(=O)OC)=O)CC(C)C	11
+FC(F)(F)C(F)(F)c1ccc(N)c(C(CC(C)C)C)c1	7815
+CC(C)CC(c1c2c(sc1-c3cc4ccc(c(c4cc3)Br)OCc5[nH]nnn5)cccc2)=O	420
+CC(C)Cc1c2c(n[nH]1)ccc(c2)O	4310
+FC(F)(F)c1ccc(cc1)-c2cc(C(C(=O)OCC)CC(C)C)ccc2OCC	11
+CC(C)CC(c1cc(c(OCC)cc1)Br)C(=O)OCC	116
+CC(C)CC(c1c(N)ccc(I)c1)C	184
+CC(C)CC(c1csc(n1)-c2ccccc2)C(=O)NCC#N	9
+c1cc(ccc1OCC2(CC(C)C)Oc3c(c(C)c(OC(C)=O)c(C)c3C(=O)C2)C)N	0
+CC(C)CC12CC1CC(C(C)O)C(C2)C	4320
+CC(C)CC1C(N(CC(c2c1ccc(c2)Cl)c3c(cccc3)Br)CC(=O)O)=O	3
+CC(C)CC1C(N(CC(N2CCC(CC2)CC(O)=O)=O)CC(c3ccccc3Cl)c4cc(Cl)ccc14)=O	3
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(=O)N3CCC(CC3)C(=O)O)c4c(cccc4)Br	3
+CC(C)CC1C(N(CC(c2cc(Cl)ccc12)c3c(cccc3)Cl)CC(=O)O)=O	3
+CC(C)CC1=CCC(C(O)C)C(C1)C	2700
+CC(C)CC=CC(=O)Cl	7816
+CC(C)CCNCc1cccc2c(cccc12)OC	110
+c1cc(ccc1[N+]([O-])=O)CN(C2CCN(CC2)CCC(C)C)C(=O)c3ccc(cc3)CCCCC	61
+c1cc(ccc1)S(=O)(=O)n2c(cc3cc(cnc23)F)C(CC(C)C)O	7817
+FC(F)(F)C(c1cn(CCC(C)C)c2c1ccc(Cl)c2)=O	339
+CC(C)CCOc1ccc(N)c(c1)[N+](=O)[O-]	8
+CC(C)CCN1C(C(CC(=O)OC)Cc2ccccc12)=O	988
+CC(C)CCN1c2c(C3(COc4c3cc(F)c(F)c4)C1=O)cccc2	988
+CC(C)CCC(C(O)C)CO	95
+CC(C)CCCC(CC(C)=O)C	86
+CC(C)CCCC(C)CC(C)O	684
+c1cc(ccc1C)S(=O)(=O)OCCCC=C(CCCC(CCCC(C)C)C)C	36
+CC(C)CCCC(CCCC(=CCCCO)C)C	95
+CC(C)CCCC(CCOCCCCn1cncc1)C	541
+c1c(F)c(c(cc1OCCC(C)C)F)-c2c(C(=O)c3ccc(cc3Cl)F)c(nn2C)C	116
+CC(C)CCNCc1cc(F)c(Oc2cc3c(cc2)C(OC(C)(C)O3)=O)cc1	42
+FC(F)(F)c1ccc(cc1C(N2CCN(CC2)c3ccc4nc(C(=O)NCCC(C)C)cn4n3)=O)F	2588
+CC(C)CCNC(CN1C=CC=C(C1=O)NC(=O)OCc2ccccc2)=O	9
+c1cc(ccc1)OC(NCCC(C)C)=O	101
+CC(C)CCN1C2C(C3CCC2C3)C(O)=C(C4=NS(=O)(=O)c5cc(ccc5N4)NS(=O)(=O)C)C1=O	7818
+CC(C)CCN(CCC(C)C)C(=O)c1ccc(c(c1)NCCCN2CCCCC2)N	0
+CC(C)CCN1C(=O)C(=C(O)c2n1cc(F)c2)C=3NS(=O)(=O)c4cc(ccc4N=3)NS(=O)(=O)C	7819
+CC(C)CCN1C(=O)C(=C(O)c2n1cc(F)c2)C=3NS(=O)(=O)c4cc(I)ccc4N=3	4321
+O=S1(=O)c2cc(Cl)ccc2NC(=N1)C3=C(c4c(cccc4)N(CCC(C)C)C3=O)O	7820
+CC(C)CCN1C(C(C=2NS(=O)(=O)c3cc(ccc3N=2)NS(=O)(=O)C)=C(O)c4cc(cn14)C#N)=O	4321
+CC(C)CCN1c2ccccc2CC(C1=O)CC(=O)NO	909
+CC(C)CCN1C2C(C3CCC2C3)C(=C(C=4Nc5c(S(=O)(=O)N=4)cc(cc5)N(S(=O)(=O)C)C)C1=O)O	418
+FC(F)(F)CC(C(=O)N1CCN(CC1)c2nnc(cc2)C(=O)NCCC(C)C)C	10
+c1ccccc1OC(=O)Nc2cc(ccn2)Oc3cc4c(cc3)n(C(NCCC(C)C)=O)cc4	278
+FC(F)(F)c1ccc(cc1)-c2nc(sc2)NCCC(C)C	354
+CC(C)CCNC(=O)CN1C=CC=C(N)C1=O	1849
+CC(C)CCNC1CC2(C(CCC2C3C1C4(CC(O)C(O)CC4CC3)C)C(OC)=O)C	7821
+CC(C)CCN(Cc1nc2n(cccc2)c1Cc3c(O)ccc(Br)c3)C(c4c(Cl)c(OC)c(cc4)OC)=O	115
+CC(C)CCNCc1c2c(c(ccc2)Oc3ccc(cn3)C#N)ccc1	136
+CC(C)CCNCc1c2cccc(O)c2ccc1	5
+CC(C)CCNCc1c(n2c(n1)cccc2)Cc3cc(ccc3O)Br	5
+c1cccc2nn(nc12)-c3cc(C)cc(c3O)COCCC(C)C	555
+c1(c2c(ccc1O)cccc2)N=Nc3ncccc3OCCC	7822
+c1(cc2c(cc1Br)cnn2C(=O)C)F	4322
+C(=O)(C)n1ncc2c1ccc(c2CC)Br	4322
+c1cc(cc(c1Oc2cc3c[nH]nc3cc2)C#N)F	4323
+c1([N+]([O-])=O)ccc(Oc2cc3c[nH]nc3cc2)nc1	4323
+c1cc(ccc1C(=NO)C#N)F	7823
+CC(C)CCOc1ccc(c(c1)N)NC(COc2cccc(c2)OC)=O	0
+CC(C)CCOc1cc([N+]([O-])=O)c(NC(=O)COc2cccc(c2)OC)cc1	26
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(ccc(OCC(N(CC)CC)=O)c2)CCC(NS(=O)(=O)CCC(C)C)=O	344
+CC(C)CCS(=O)CCCCCCl	441
+c1ccccc1C=CCN2CCC(CC2)NC3=CC(Oc4ccc(cc34)CCC(C)C)=O	4324
+CC(C)CCn1c2cccc(CCl)c2nc1CN3C(=O)N(C(C)C)c4ccccc34	1045
+CC(C)CCn1c(CCl)nc2c1ccc(C(=O)OC)c2	2176
+CC(C)CCn1c(CO)nc2cc(C(=O)OC)ccc12	47
+CC(C)CCn1c(nc2cc(ccc12)C#N)CN3C(N(c4ccccc34)C(C)C)=O	2597
+CC(C)CCn1c2ccc(C(=O)O)cc2nc1CN3C(N(c4ccccc34)C(C)C)=O	872
+CC(C)CCn1c(CN2C(=O)N(C(C)C)c3ccccc23)nc4c(CO)cccc14	295
+CC(C)CCn1c2c(cc(C(N(C)C)=O)cc2)nc1CN3C(N(c4ccccc34)C(C)C)=O	30
+CC(C)CCn1c2c(nc1CN3C(=O)N(C(C)C)c4ccccc34)c(ccc2)CCN	51
+CC(C)CCn1c2cccc(CC#N)c2nc1CN3c4ccccc4N(C3=O)C(C)C	1716
+CC(C)CN1C(Cl)=CC(N(C1=O)C)=O	7824
+CC(C)CN1C(OC(=O)c2ccccc12)=O	4325
+CC(C)CC1C(=O)N(CC(=O)OCC)CC(c2cc(ccc12)Cl)c3c(cccc3)Br	4326
+CC(C)CC1c2ccc(Cl)cc2C(c3c(cccc3)Cl)CN(CC(=O)OCC)C1=O	4326
+c1cc(ccc1F)-c2n(nc(C(=O)OCC)c2)CC(C)C	1717
+CC(C)CN1c2c(ncn2C3OCCCC3)-c4nncn4C1=O	7825
+CC(C)CNc1ccc(C)cc1C	205
+CC(C)CNC(Nc1cc(nn1C)C(=O)OC)=O	7826
+Clc1cccc(Cl)c1COc2ccc3c(cc(C(NCC(C)C)=O)n3CCCC#N)c2	81
+CC(C)CNc1c(cnc(Cl)n1)Br	40
+CC(C)CNCc1sc(nc1)Br	7827
+CC(C)CN1C(=S)NC=C1CO	4327
+CC(C)CN1C(=O)Cc2cc([N+]([O-])=O)ccc12	1611
+CC(C)CNc1c([N+](=O)[O-])cc(cc1)C(=O)C	60
+CC(C)(C(NCC(C)C)=O)c1ccc(cc1)-c2cc(cnc2)COC	9
+CC(C)CNC(=O)c1c(nccc1)Oc2ccc(cc2)Nc3ccccn3	2896
+CC(C)CNS(=O)(=O)c1ccc(cc1)OC	71
+CC(C)Cc1c2c(cccc2)ncc1[N+](=O)[O-]	7828
+CC(C)CNCc1cc2[nH]c(-c3c(OC(C)C)ccc(OCc4ccccc4)c3)nc2nc1	249
+CC(C)CNc1c2n(c3c(cccc3)n1)c(Br)cn2	3829
+CC(C)CNCc1oc(cc1)Br	3887
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc(c(c1)NCCCN2CCCCC2)N)=O	0
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc(c(NCCCN(C)C)c1)N)=O	0
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc([N+](=O)[O-])c(c1)NCCCN(C)C)=O	205
+CC(C)CN(CC(C)C)c1c(cc(-c2c(-c3[nH]nnn3)cccc2)cc1)NC(=O)Nc4ccc(cc4)C	11
+CC(C)CN(CC(C)C)c1ccc(cc1[N+](=O)[O-])C(C(F)(F)F)O	714
+CC(C)CN(CC(C)C)c1ccc(cc1N)Br	0
+CC(C)CN(CC(C)C)c1c(cc(cc1)C2(CC2)C(O)=O)[N+]([O-])=O	270
+CC(C)CN(CC(C)C)c1c(cc(Br)cc1)NC(=O)Nc2ccc(cc2)C	124
+CC(C)CN(CC(C)C)c1c([N+]([O-])=O)cc(cc1)C(=O)C(F)(F)F	2177
+CC(C)CN(CCCCC(OC)=O)c1c(C=O)cc(cc1)Br	325
+CC(C)CN1c2ccc(cc2C=C(C(OC)=O)CCC1)Br	2897
+CC(C)CN1C(NN)=CC(=O)NC1=O	2592
+CC(C)CN1C(=O)C(C(=O)N(CC(C)C)C1=O)C(=O)NCC(=O)O	3
+CC(C)CN1C(=O)Cc2cc(ccc12)N	0
+CC(C)CN1c2c(CC1=O)cc(cc2)NCC(O)C(OC)=O	1967
+CC(C)CN1C(=O)N(C)C(=O)c2c(-c3n(cc(c3)C(NOC)=O)C)n(Cc4c[nH]c5ccc(cc45)C)nc12	1546
+CC(C)CN1C(N(N=C1c2scc(c2Cl)C)CC(O)=O)=O	3
+CC(C)CN1C(=O)N(c2sc(C(N)=O)c(C)n2)CC1	4328
+CC(C)CN1C(N(CC1)c2nc(c(C(=O)NCc3ccn(C)n3)s2)C)=O	454
+CC(C)Cn1cncc1CO	4329
+CC(C)CN1CCCCC1CN	15
+CC(C)CN1N=C(c2cc(c(cc2)C)F)C=C(C1=O)COS(=O)(=O)C	2178
+CC(C)CN1C(Cc2cc(N3CC(OC3=O)C(=O)NC)ccc12)=O	248
+CC(C)CN1C(NN)=CC(=O)N(C1=O)C	2592
+CC(C)CN1C(=O)N(c2sc(c(n2)C)C(O)=O)CC1	6
+FC(F)(F)c1cccc(c1)CNC(CN2N=C(N(CC(C)C)C2=O)c3c(c(cs3)C)Cl)=O	9
+CC(C)CN1C(=O)N(Cc2ncccc2)C(=O)c3c1nn(Cc4c5c(cccc5)sc4)c3-c6cccn6C	7829
+CC(C)CN1c2nn(c(c2C(=O)N(C)C1=O)-c3cc(cn3C)C(=O)OC)Cc4c5c(cccc5)ccc4	4330
+CC(C)CN1C(=O)N(C)C(=O)c2c(-c3cc(cn3C)C(=O)O)n(Cc4c[nH]c5ccc(cc45)C)nc12	3751
+CC(C)CN1c2nn(Cc3ccnc4ccc(cc34)Cl)c(-c5n(C)ccc5)c2C(NC1=O)=O	4330
+CC(C)CN1C(NC(=O)c2c1nn(Cc3c4c(cccc4)sc3)c2-c5cccn5C)=O	7830
+CC(C)CN1C(=O)N(N=C1c2scc(c2Cl)C)CC(=O)OCC	7831
+c1cc(ccc1C)C=2C=C(C(=O)N(CC(C)C)N=2)COS(=O)(=O)C	1191
+CC(C)CN1C(Cc2cc(ccc12)N3C(=O)OC(C(OC)=O)C3)=O	7832
+CC(C)CN1C(=O)n2cnnc2-c3nc[nH]c13	7833
+c1cc(ccc1OCCOCCCC)-c2cc3c(cc2)N(CC(C)C)CCCC(C(=O)OC)=C3	750
+CC(C)CN1C(=O)C(C(=O)NNC(=O)CCCCCCCCCCC)=C(c2c1cccc2)O	7834
+CC(C)CNC(=O)NNC(=O)c1scc(C)c1Cl	7835
+CC(C)CNC(Nc1cccc(N)c1)=S	2898
+c1cc(ccc1-c2cc(C(N(C)CC(C)C)=O)cc(c2)C(=O)OCC)C	30
+CC(C)CN1C(c2scc(c2Cl)C)=NNC1=O	7836
+c1cc(ccc1Cl)C2(CC2)C(=O)N3C(C(=O)NC(C(C(=O)NCC(C)C)=O)CC)CC(S(=O)(=O)c4ccccc4Cl)C3	612
+CC(C)CN1C(=O)CC(N(CC(C)C)C1=O)=O	7837
+CC(C)CNC(Nc1n(nc(C(=O)O)c1)C)=O	1
+CC(C)CNC(=S)Nc1cc(NC(=O)Nc2ccc(cc2)Cl)ccc1	124
+CC(C)CN(CC(C)C)c1ccc(CC#N)cc1[N+](=O)[O-]	34
+CC(C)CN(CC(C)C)c1c(cc(C=O)cc1)[N+](=O)[O-]	34
+CC(C)CN(CC(C)C)c1ccc(Br)cc1[N+](=O)[O-]	34
+CC(C)CNCc1sc(-c2cccc(S(=O)(=O)C)c2)cc1	268
+CC(C)CN(C(=O)c1nc(ccc1)F)Cc2c(c3n(ncn3)cn2)CCC	147
+O=S(=O)(N(CC(C)C)Cc1oc(Br)cc1)c2c(cccc2)Cl	92
+O=S(=O)(N(CC(C)C)Cc1sc(cc1)-c2cc(S(=O)(=O)C)ccc2)c3c(C)ccc(c3)F	92
+O=S(=O)(Cc1ccccc1)N(Cc2cnc(Br)s2)CC(C)C	112
+O(C)c1cccc(OC)c1-c2n(CC(C)C)nc(C(=O)OCC)c2	2054
+c1cc(ccc1-c2cc(C(=O)OCC)nn2CC(C)C)Br	2054
+O=S(=O)(N(Cc1ccc(cc1)Cl)CC(C)C)c2ccc(cc2)OC	692
+CC(C)CNc1c(N)cc(C(=O)C)cc1	0
+CC(C)CNc1c(cnc(n1)C#N)Br	738
+c1cc(ccc1)Cc2cc3cnc(C#N)nc3n2CC(C)C	7838
+CC(C)CNc1nc2c(n3c(cnc13)-c4cc5c(cc4)OCCO5)cccc2	7839
+CC(C)CNc1c2n(cc(n1)-c3ccccc3)ccn2	356
+CC(C)Cn1c2c(nc1COc3cccc(OCC)c3)ccc(O)c2	1264
+c1(cc(cc(F)c1Br)S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C)F	416
+c1cc(ccc1C(=O)C)S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C	416
+CC(C)Oc1cc(C(=O)Nc2ncc(C(=O)OC)cc2)cc(OCC(C)C)c1	126
+c1c(Cl)cc(c(c1[N+]([O-])=O)O)C(c2cc(cc([N+]([O-])=O)c2O)Cl)OCC(C)C	7840
+C1CN(CCN1C(OCC(C)C)=O)c2nc(-c3c(OC)cccc3)nc4ccsc24	2094
+CC(C)COC(Nc1ccc(c(c1)F)Br)=O	1718
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)NC(=O)OCC(C)C)F	90
+CC(C)COC(OC(=O)CN1c2ccccc2C3(c4c(OC3)cc5OCOc5c4)C1=O)=O	7841
+CC(C)COC(=O)Nc1cccc(c1)F	90
+CC(C)COC(=O)n1c(-c2ccc(cc2)Br)ncc1	7842
+c1ccccc1Nc2nc(nc(-c3ccccc3)n2)NC(OCC(C)C)=O	4331
+CC(C)COC(c1cc(-n2c3ccc(cc3cn2)OC(C(NC(=O)C(F)(F)C)C)c4ccc5c(OCOC5)c4)ccc1)=O	9
+CC(C)COC(c1cc(-n2c3ccc(cc3cn2)OC(C(N)C)c4cc5c(cc4)COCO5)ccc1)=O	669
+CC(C)CON=C(C(=O)OCC)C(=O)CCl	969
+CC(C)CON=C(C(=O)OCC)c1csc(n1)N	1145
+CC(C)CON=C(c1nc(sc1)N)C(O)=O	3
+CC(C)CON=C(C(NC1C(=O)N2C1SCC=C2C(O)=O)=O)c3nc(sc3)N	999
+c1cc(ccc1[N+]([O-])=O)COC(=O)C2=C(CSC3N2C(C3NC(C(=NOCC(C)C)c4csc(NC=O)n4)=O)=O)O	471
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(C(=NOCC(C)C)c4csc(NC=O)n4)=O)=O	471
+CC(C)CON=C(c1nc(NC=O)sc1)C(O)=O	1274
+OC(CP(C)(=O)O)CN	7843
+CC(C)COP(=O)(C)CC(CN)O	18
+CC(C)COP(CCCN)(=O)C	51
+CC(C)COP(=O)(CCC#N)C	4332
+CC(C)COc1cc(CO)c(nc1-c2cc(OC)ccc2F)OC	295
+CC(C)COc1nc(ccc1-c2c(F)ccc(OC)c2)COC	629
+CC(C)COc1c(-c2cc(OC)ccc2F)ccc(C(OC)=O)n1	89
+CC(C)COc1cc(c(C(=NO)c2ccc(OCC(C)C)c(c2)CCC(=O)OCC)cc1)OCC(C)C	1205
+CC(C)COc1ccc(C(Nc2cccc(OC)c2)=S)cc1C#N	581
+CC(C)COc1ccc(Cl)cc1Cc2oc(CO)cc2	4333
+CC(C)COc1ncc(cc1Cl)OCc2cc(c(C(OC)=O)cc2F)F	483
+CC(C)COc1c(C#N)cc(-c2sc3c(cccc3O)n2)cc1	7844
+CC(C)COc1cc(COc2cc(C(CC(=O)O)C3CC3)ccc2)c(nc1-c4cc(OC)ccc4F)OC	4
+c1ccccc1S(=O)(=O)NC(c2ccc(-c3cc(cc(F)c3)OCC(C)C)nc2Cl)=O	3968
+CC(C)COc1cc(cc(OCC)c1)C=O	39
+CC(C)COc1c(CCC(OCC)=O)cc(C(c2c(OCC(C)C)cc(OCC(C)C)cc2)N)cc1	4334
+CC(C)COc1cccc(OCC(OCC)=O)c1	52
+CC(C)COc1cc2CC(CC)N3C=C(C(=O)O)C(=O)C=C3c2cc1OC	108
+CC(C)COc1ccc2c(c(nn2C)C=O)c1	2158
+OB(O)c1ccc(c(C#N)c1)OCC(C)C	281
+CC(C)COc1c(cc(cc1)-c2sc3c(cccc3OC)n2)C#N	2179
+CC(C)COc1c(cc(Cl)cc1)Cc2oc(cc2)C=O	2180
+CC(C)COc1cc2c([nH]nc2cc1)C=O	804
+CC(C)COc1cccc(OCc2[nH]c3c(n2)cccc3)c1	442
+CC(C)COc1cccc(OCC(O)=O)c1	3
+CC(C)COc1c(-c2ncc(c(O)n2)-c3[nH]nnn3)cccc1	4335
+CC(C)COc1ccccc1-c2nc(O)c(C#N)cn2	7845
+CC(C)COc1ccccc1-c2ncc(C(=O)N)c(n2)O	7846
+CC(C)COc1nc(CN(c2cc(ncn2)C(C3CC3)CC(O)=O)C)ccc1-c4c(F)ccc(OC)c4	3
+CC(C)COc1nc(CN(c2cc(ncn2)C(CC(=O)OCC)C3CC3)C)ccc1-c4c(F)ccc(OC)c4	1347
+c12c(cccc1)C(=O)N(C2=O)Cc3ccc(-c4c(F)ccc(OC)c4)c(n3)OCC(C)C	2181
+CC(C)COc1nc(CO)ccc1-c2c(F)ccc(OC)c2	88
+CC(C)COc1ncc(OCc2c(cc(c(F)c2)C(=O)O)F)cc1Cl	1
+CC(C)CSc1ccc2c(cc(N)c([N+]([O-])=O)c2)c1	972
+CC(C)CS(c1ccc2c(c1)cc(N)c(N)c2)=O	0
+CC(C)CS(=O)c1ccc2cc(c(cc2c1)N)[N+]([O-])=O	357
+CC(C)Cc1cc(nc(Cl)n1)Cl	4336
+FC(F)(F)c1ccc(cc1)-c2nc(ccc2)C(O)CC(C)C	2899
+c1cc(ccc1C(O)CC(C)C)C(=O)OC	758
+CC(C)Cc1ncc(cc1C#N)C(OCC)=O	7847
+CC(C)Cc1cc(ccc1-c2cc(Cc3c4ccccc4ccc3)c(cc2)O)CCC#N	5
+OB(O)c1ccccc1CC(C)C	422
+CC(C)Cc1c(O)cc(O)c(C(=O)C)c1	214
+CC(C)Cc1c(OC)cc2OCc3c(-c2c1)n(nc3C(O)=O)-c4cscc4	6
+CC1(C)C(C)(C)OB(O1)c2ccc(c(C#N)c2)CC(C)C	17
+CC(C)Cc1c2ccc(nc2ccc1)O	2900
+CC(C)Cc1c2C=CC(=O)[NH+]([O-])c2ccc1	7848
+CC(C)Cc1c2c(ncc1N)cccc2	13
+c1(C)cc(cc(C)c1Oc2cc3c([nH]nc3cc2)CC(C)C)[N+]([O-])=O	46
+Clc1cc(cc(Cl)c1)-c2ccc3c(cccc3n2)CC(C)C	691
+CC(C)Cc1c2ccc(nc2ccc1)Cl	532
+CC(C)Cc1cn(c2cc(Cl)ccc12)-c3nc(C(OCC)=O)cs3	7849
+c1cc(ccc1F)-n2c(CC(C)C)cc(n2)CN	2880
+CC(C)Cc1cc(ccc1-c2ccc(-c3cc(Cc4c5c(cccc5)ccc4)c(O)cc3)c(CC(C)C)c2)CCC#N	5
+CC(C)Cc1nc(nc(OC)c1)OC	2901
+CC(C)Cc1cc-2c(OCc3c-2n(nc3C(N4CCCN(C(C5OCCC5)=O)CC4)=O)-c6ccsc6)cc1OC	10
+c1cc(ccc1-c2noc(n2)-c3ccc(cc3)CC(C)C)C4CC5(C(N(C)C(=O)N5)=O)CC4	910
+CC(C)Cc1ccc(cc1)C(C)C(NCCCCO)=O	9
+CCOP(OCC)(=O)OCCCCNC(C(c1ccc(cc1)CC(C)C)C)=O	4337
+CC(C)Cc1c(C#N)cc(cc1)N	0
+CC(C)Cc1c2c([n+]([O-])ccc2)ccc1	924
+CC(C)Cc1c2c(n(-c3nc(CO)cs3)c1)cc(Cl)cc2	1171
+CC(C)Cc1cc(C=NO)nn1-c2ccc(cc2)F	688
+c1ccccc1CN2C(=O)c3nc4c(nc3N=C2CC(C)C)cccc4	7850
+CC(C)Cc1sc(-c2onc(C(CCC(O)=O)CC(Nc3c(Cl)cc(cc3)C)=O)c2C4CC4)cn1	1405
+CC(C)Cc1scc(n1)C(=O)O	6
+CC(C)Cn1c2c3c(cccc3)nc(N)c2nc1CN	18
+CC(C)Cn1c2ccc(cc2cn1)O	5
+CC(C)Cn1c(nc2c(nc3c(cccc3)c12)N)CN=[N+]=[N-]	2902
+CC(C)Cn1c2c(nc1COc3cccc(OCC)c3)ccc(c2)OCC(OCC)=O	52
+CC1(C)C(C)(C)OB(O1)c2cc(C)c3c4ccccc4n(c3c2)CC(C)C	7851
+CC(C)Cn1c2ccc(cc2cn1)Oc3c(cc(cc3)F)C#N	46
+CC(C)Cn1c2ccc(Oc3ccc(cc3CN)F)cc2cn1	107
+CC(C)Nc1c(cc2N(C(=O)C(C)(C)c2c1)CCCCC)[N+](=O)[O-]	7852
+CC(C)Oc1cc(c(cc1)C)C(=O)N2CCC(CC2)N3C(=O)C(C)(C)C(c4cc(OC)c(OC)cc4)=N3	313
+CC1(C)C(C)(C)OB(O1)c2cn(nc2)C(C)C	2182
+CC(C)Oc1cc(ccc1)-c2cncc3cc(C(OCC)OCC)oc23	313
+C[Si](C)(C)C#Cc1cc(OC(C)C)c2c(c1)C(C)(C)CCC2=O	313
+CC(C)Oc1cc(-n2c(C)c(c(C)n2)C)c(F)cc1Cl	313
+CC(C)N1N=C(c2cc(ccc2)Cl)c3c(cccn3)C1=O	7853
+FC(F)(F)C(=O)c1cn(c2cc(C)ccc12)C(C)C	4338
+FC(F)(F)C(=O)c1c2ccc(cc2n(C(C)C)c1)OC	4338
+FC(F)(F)c1c2c(c(Br)ccc2nc(c1)OC(C)C)OCc3ccccc3	7854
+FC(F)(F)c1cc(Cl)c(nc1)-c2ccc(Cl)c(OC(C)C)c2	313
+FC(F)(F)c1cnc(Oc2cc(OC(C)C)ccc2C=C(C(OCC)=O)C)c(Cl)c1	313
+CC(C)n1c2ncnc(N)c2c(n1)I	7855
+O=S(=O)(c1c(ccc(Br)c1)OC(C)C)NC(Cc2c[nH]c3c2cccc3)C(=O)OC	313
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(OC(C)C)ccc13)C	313
+CC(C)Oc1ccc(C(=O)OC)cc1C	313
+CC(C)Oc1ccc(cc1Br)[N+]([O-])=O	313
+CC(C)n1nc2c(cccc2c1-c3c(cc(cc3)OC)OC)F	7856
+CC(C)Oc1cccc(C=O)c1	313
+CC(C)Oc1c([N+](=O)[O-])ccc(F)c1	313
+CC(C)n1nc(cc1)-c2scc(c2)Br	2182
+CC(C)N1C(=O)C(CC)Oc2cc(ccc12)C(=O)OC	3344
+CC1(C)OC2C(C(OC2CN(CCCN3C(=O)c4c(cccc4)C3=O)C(C)C)n5c6ncnc(c6nc5)N)O1	2689
+CC(C)n1c2c(c(nc(Cl)c2)Cl)nc1	7857
+CC(C)Oc1c(Br)ccc(O)c1	313
+CC(C)Oc1ccc([N+]([O-])=O)c(C#N)c1	313
+CC(C)n1cc(-c2cc(Br)c(F)cc2)c(-c3nc(ccc3)C)n1	2182
+CC(C)Oc1ccc(cc1C(OC)=O)I	313
+CC(C)Oc1cccc(c1)CCC(OC)=O	313
+CC(C)N1CCCc2c1cccc2	3977
+c1cc(ccc1F)-c2cn(c(C(=O)OCC)c2-c3ccccc3)C(C)C	7858
+c1cc(ccc1OC)-c2c(cnc(n2)N)C3=NN(C(C)C)C(=O)C=C3	7859
+c1cc(ccc1-c2c(cc(c(c2F)OC(C)C)C=O)Br)F	313
+c1cc(ccc1-c2c3c(c(ccc3)Cl)n(n2)C(C)C)OC	7860
+CC(C)N1N=C(c2c3n(ccc(OC)c3)nc2-c4ccccc4)C=CC1=O	4226
+c1ccccc1COC2=CC(Br)=CN(C(C)C)C2=O	7861
+c1ccccc1COc2ccc(cc2)N3C(=O)N(c4c3nccc4)C(C)C	7862
+CC(C)n1c2ncncc2c(I)c1	7863
+CC(C)n1nc(c(c1)-c2ccnc(n2)SC)-c3sc(Cl)cc3	2182
+CC(C)N1C(=O)CC(=O)N(C(C)C)C1=O	1984
+CC(C)Nc1c(C(OCC)=O)cnc(SC)n1	40
+CN(C)C(c1ccc(cc1)-c2c(OCCNC(C)C)ccc(-c3nc(c4c(cc(OC)cc4OC)n3)O)n2)=O	132
+CC(C)Nc1nc(Cl)cc2c1C(=O)N(C)C=N2	70
+COc1cc(cc(OC)c1)C2=CC(c3c(O2)cc(cc3)OCC(CNC(C)C)O)=O	122
+CC(C)NCc1cc(-c2nc(-c3cc(c(-c4ccccc4C)cc3)COC)on2)ccc1	4339
+CC(C)Nc1c(cc(cc1)Cl)[N+]([O-])=O	205
+FC(F)(F)c1cc(Cl)c(nc1)-c2ccc(c([N+](=O)[O-])c2)NC(C)C	60
+FC(F)(F)c1cc(C(Nc2c(c3nsnc3cc2C(=O)NC(C)C)Cl)=O)n(n1)-c4c(cccn4)Cl	1302
+CC(C)NC=1N=C2N(C=CC=C2)C(=O)C=1Br	7864
+CC(C)NC(c1ccccc1N)=O	1338
+CC(C)NCc1c(O)nc2c(cccc2C)c1	249
+CC(C)NCc1c(cccc1)O	42
+CC(C)NCc1c(OCCCCCC(OCC)=O)cccc1	42
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCNC(C)C	132
+CC(C)NS(=O)(=O)c1ccccc1[N+]([O-])=O	71
+CC(C)Nc1c([N+]([O-])=O)cccc1	60
+CC(C)Nc1c([N+]([O-])=O)c(ccc1)F	60
+CC(C)Nc1c(cnc(Cl)c1)[N+](=O)[O-]	105
+CC(C)NC(c1cc(F)c(Br)cc1)=O	14
+CC(C)Nc1c(C(O)=O)ccc(c1)Br	60
+CC(C)NC(=O)c1c(n[nH]c1)-c2nc3ccccc3[nH]2	4340
+CC(C)Nc1c(C(OCC)=O)cnc(Cl)c1	105
+CC(C)Nc1nc2c(cc(C=O)cc2F)s1	3841
+CC(C)Nc1c([N+](=O)[O-])cc(Br)cc1	60
+CC(C)Nc1nncc2cc(Br)ccc12	232
+CC(C)NC(=O)c1sc(cc1OCc2ccccc2C)-n3cnc4ccccc34	227
+CC(C)Nc1c2c(nnc1I)cc(-c3ccc(cc3)S(=O)(=O)C)cc2	4341
+c1cc(ccc1C#Cc2nc(NC(C)C)ncc2)F	96
+c1cc(ccc1C)S(=O)(=O)N2CCCC(c3ccccc23)CC(=O)NC(C)C	9
+CC(C)NCc1ccc(cc1)C(OC)=O	370
+c1cc(ccc1CC(NC(C)C)=O)-c2ccc(cc2)OC(C)C(CCc3cnccc3)O	9
+C1CC1c2[nH]nc(c2)Nc3nc(c(C#N)c(c3F)NC(C)C)NC(C)c4ccc(cc4)F	7865
+c1cc(ccc1S(=O)(=O)Nc2cc(nc(NCC)n2)NC(C)C)N	40
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)(NCc4ccccc4)C(=O)NC(C)C	9
+CC(C)Nc1nc(nc2c1CCC2c3ccccc3)Cl	40
+CC(C)Nc1nccc(-c2c(nn3c2cccc3)-c4cc(F)ncc4)n1	785
+CC(C)N(C(=O)c1ccc(cc1)-c2occc2)Cc3ccccc3OCCCCc4nnn[nH]4	420
+CC(C)N(C(C)C)C(=O)c1ccc(cc1)OCCCCCOc2ccc(cc2)C(=N)NO	181
+CC(C)N(C(C)C)C(c1ccc(cc1O)O)=O	5
+CC(C)N(C(C)C)C(=O)c1ccc(cc1)OCCCCCOc2ccc(cc2)C#N	72
+CC(C)N(C(C)C)C(c1c(O)cc(OCCCCCOc2ccc(cc2)C#N)cc1)=O	8
+CC(C)N(C(C)C)C(c1c(cc(cc1)O)OC)=O	5
+CC(C)N(C(C)C)CC#CCCC=O	24
+CC(C)N(C(C)C)CC#Cc1c2c(nc(nc2n(c1)Cc3c(c(c(C)cn3)OC)C)N)Cl	4044
+CC(C)N(C(C)C)CCCSc1ccc([N+]([O-])=O)c(c1)C	411
+CC(C)N(C(C)C)CCCSc1cc(c(cc1)N)C	0
+CC(C)N(C(C)C)CCN1c2ccc(cc2C(=O)C1=O)NC(C)=O	7866
+CC(C)N(C(C)C)CCN1C(C(=NNC(=O)N)c2cc(ccc12)NC(C)=O)=O	7867
+CC(C)N1C(CC)C(=O)Nc2cnc(Cl)nc12	2044
+CC(C)(Cn1cc(cn1)-c2ccc3OCCc4c(nc(C(=O)N(C(C)C)CCO)s4)-c3c2)O	320
+FC(F)(F)c1cc(C(=O)NC2C(N(C3C(CCC)CC(CC3)N(C)C(C)C)CC2)=O)c(NC(=O)NCC)cc1	1007
+CC(C)N(C)C1c2n(c3c(cccc3)c2C)CCC1	695
+c1ccccc1-c2sc(c(N(C(C3CCC(CC3NC(=O)C)C)=O)C(C)C)c2)C(=O)O	1
+c1cc(ccc1N(C(C)C)C(CN2c3ccccc3N(C(=O)CC2=O)c4ccccc4)=O)C	4342
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=Cc2ccc(cc2)N(c3ncccn3)C(C)C)=O	1046
+CC(C)N1C(=O)C(C(=O)N(C(C)C)C1=O)C(NCC(=O)O)=O	3
+CC(C)N1C(C(Oc2c1ccc(C(=O)O)c2)CC)=O	1
+c1cc(ccc1-c2c(nc(C(=O)N)c(n2)N)C=3C=CC(=O)N(C=3)C(C)C)OC	696
+c1cc(ccc1F)-c2c(nc(c(n2)N)C#N)C=3C=CC(N(C(C)C)N=3)=O	7868
+CC(C)N1N=C(C=CC1=O)c2c(-c3ccccc3)nc(cn2)N	4343
+CC(C)N1C(=O)C=CC(=N1)c2nc(C(=O)O)c(N)nc2-c3ccccc3	4344
+CC(C)N1C(=O)C=CC(=C1)c2c(nc(N)c(C(=O)N)n2)Cl	2903
+CC(C)N1c2ccc([N+]([O-])=O)cc2CC1=O	31
+CC(C)n1c(nc2cc(ccc12)Cl)Cl	1088
+CC(C)N1C(=O)c2cc(ccc2C(=N1)Br)O	477
+CC(C)N1C(=O)c2c(C(=N1)Br)ccc(S)c2	7869
+CC(C)N1C(=O)c2cc3nc([nH]c3cc2C1=O)-c4c(nccc4Cl)OC	3792
+CC(C)N1N=C(Br)c2ccc(OC)cc2C1=O	65
+CC(C)N1C(c2cc3[nH]c(-c4c(O)nccc4NC(C)Cc5c(C)ccc(c5)F)nc3cc2C1=O)=O	105
+CC(C)N1C(=O)c2cc3c(nc([nH]3)-c4c(Cl)ccnc4O)cc2C1=O	104
+CC(C)N1C(C(C(=O)O)=Cc2c(cccc12)C)=O	108
+CC(C)N1C(C(C)(C)c2ccc(NCc3ccccc3)cc12)=O	250
+CC(C)N1c2cc(ccc2C(C)(C)C1=O)N	1197
+CC(C)N1C(C(Oc2cc(C(Cl)=O)ccc12)CC)=O	82
+CC(C)N1CCN2C(=C(C(=O)N=C2Cc3c(Cl)cccc3Cl)O)C1=O	7870
+CC(C)N1C(C=CC(c2c(nc(c(NCCN(C)C)n2)N)-c3ccccc3)=N1)=O	941
+C[Si](C)(C)C#Cc1c(N)nc(c(C2=NN(C(=O)C=C2)C(C)C)n1)-c3ccccc3	4345
+c1cc(ccc1)-c2nc(c(-c3ccccc3)nc2N)C4=NN(C(C)C)C(C=C4)=O	356
+c1cc(ccc1)C#Cc2c(nc(-c3ccccc3)c(n2)C=4C=CC(N(N=4)C(C)C)=O)N	2350
+O=S(=O)(c1nc(C)c2C=CC(N(C(C)C)c2n1)=O)C	737
+CC(C)N1c2c(cnc(Cl)n2)N(C(=O)C1CC)C	7871
+CC(C)N1C(N(C(=O)C1)c2ccc(O)cc2F)=O	5
+CC(C)N1C(N(c2c(cc(OCc3c(cc(cc3)Cl)OC(C)C(OC)=O)cc2)F)C(=O)C1)=O	139
+CC(C)N1C(Oc2cc(cc(F)c12)N3C(=O)OC(C3)C(=O)N)=O	327
+CC(C)N1C(=O)c2c(C(Br)=N1)ccc(N)c2	0
+CC(C)N1C(c2cc(ccc2C(=N1)Br)CSC)=O	639
+CC(C)N1Cc2c(C1=O)cc3[nH]c(-c4c(NC(Cc5cc(ccc5C)F)C)ccnc4O)nc3c2	1598
+CC(C)N1C(=O)C=CC(c2c(Cl)[n+]([O-])c(N)c(C(N)=O)n2)=C1	2904
+CC(C)N1CC(Oc2ccc(Cl)cc2Br)CC1	624
+CC(C)N1CC(CC1)OS(=O)(=O)C	7
+CC(C)N1CCC(CC1)COc2c3c(c(cc2C(NC(CC)(C(=O)O)C)=O)Cl)cccc3	3
+C1CN(CCC1NS(=O)(=O)CCNC(c2ccc(cc2)Cl)=O)C(C)C	14
+CC(C)N1CCC(CC1)NS(=O)(=O)CCN	45
+CC(C)N1CCC(CC1)Oc2ccc3c(cc(C(OC)=O)s3)c2	419
+CC(C)N1CCC(CC1)Oc2ccc3n4C(C)CNC(c4cc3c2)=O	419
+C1CC(CCN1C(C)C)Oc2nc3CCN(Cc3cc2)Cc4ccccc4	91
+C1CN(CCN1C(N(C)C)=O)C(c2[nH]c3cc(Cl)c(OC4CCN(CC4)C(C)C)cc3c2)=O	776
+CC(C)N1CCC(CC1)Oc2cc3c(cc2)sc(c3)C(O)=O	1
+CC(C)N1CCC(CC1)Oc2ccc(cn2)N	13
+CC(C)N1CCC(CC1)c2scc(C(O)=O)n2	6
+c1cc(ccc1Cl)NC(c2nc(sc2)C3CCN(CC3)C(C)C)=O	2015
+CC(C)N1c2ccc(cc2CCC1)C=O	151
+CC(C)N1c2c(CCC1)cc(C(C)=CCO)cc2	2624
+C1CN(CCN1c2cc(c(cc2F)[N+]([O-])=O)OC)C(C)C	79
+C1CN(CCN1C(C)C)c2c(OC)ccc(-c3nc(c4c(cc(OC)cc4OC)n3)O)n2	323
+c1cc(ccc1C=O)N2CCN(CC2)C(C)C	34
+CC(C)N1CCN(CC1)C2CN(C2)c3cc4c(C=CC(=O)N4Cc5ccc(cc5)OC)nc3	85
+C1CN(CCN1C(=O)OC2CN(CC2)c3ncc(C(=O)N)cc3)C(C)C	1011
+CC(C)N1CCN(CC1)C(=O)c2nc(c(s2)-c3c4c(ccc3)cccc4)C	1999
+O=S(=O)(c1ccc(cc1)OC)Oc2cc3n(nc(-c4ccccc4)c3C5=NN(C(C=C5)=O)C(C)C)cc2	681
+CC(C)N1C(=O)C=CC(=N1)c2nc(C#N)c(nc2-c3ccc(cc3)F)N=CN(C)C	696
+CC(C)N1N=C(C=CC1=O)c2c(nn3ccc(cc23)O)-c4ccccc4	5
+CC(C)N1N=C(c2c(cc(CO)cc2)C1=O)Br	217
+CC(C)N1C(=O)Cc2ccccc12	1562
+CC(C)N1C(C(=Cc2c1nc(N)nc2)c3ccc(c(c3)N)F)=O	0
+CC(C)N1c2c(cc(N)cc2OC1=O)F	0
+CC(C)N1C(Oc2c1c(cc(N3CC(C(=O)OC)OC3=O)c2)F)=O	7872
+CC(C)N1c2ccc(C(C)=C(F)C(OCC)=O)cc2CCC1	2905
+CC(C)N1c2c(OC1=O)cc(NCC(C(OC)=O)O)cc2F	1967
+CC(C)N1c2c(cc(C(=O)C)cc2)CCC1	155
+CC(C)N1C(CC)C(N(c2cnc(Nc3ccc(c4CCOc34)C(=O)O)nc12)C)=O	55
+CC(C)N1c2c(cnc(n2)SC)C=C(c3cc([N+]([O-])=O)c(F)cc3)C1=O	1597
+CC(C)N1c2c(C=C(C1=O)c3cc([N+]([O-])=O)c(F)cc3)cnc(N)n2	4048
+CC(C)N1c2cc(ccc2C(C)(C)C1=O)NC(c3cnccc3)=O	246
+CC(C)N1c2ccc(cc2CC1=O)N	0
+CC(C)N1c2c(cc(cc2)C(O)C)CCC1	449
+O=S(=O)(c1c(Cl)cc(cc1)Cl)NCCCCN(CC(O)COC)C(=O)NC(C)C	384
+CC(C)NC(Nc1cnc2c([nH]c(n2)-c3cc(ccc3Cl)NC(=O)c4occc4)c1)=O	2374
+CC(C)Nc1n(c2c(n1)cc([N+]([O-])=O)cc2)C	7873
+CC(C)Nc1nc2c(F)c(F)c(Cl)cc2[nH]1	3759
+c1cc(ccc1Oc2ncc(Br)s2)S(=O)(=O)N(C(C)C)C	2691
+CC(C)NC(=O)C1CCC(CC1)Nc2cc(ncc2N)OCCOC	13
+FC(F)(F)C(N1CCc2c(c(NCc3ccc(cc3)CC(=O)NC(C)C)c(cc2)Cl)CC1)=O	1627
+CC(C)NC(=O)Cn1cc(cn1)Nc2nccc(Cl)n2	4346
+c1c(F)c(c(cc1C#N)F)CNc2nc(ncc2)Nc3cn(CC(NC(C)C)=O)nc3	40
+c1cc(ccc1Nc2nc(Nc3c(cccc3)C(=O)NC(C)C)c(F)cn2)C(OCC)=O	55
+CC(C)NC(=O)c1ccc(c(-c2nc(c(N)cc2)C(=O)O)c1F)F	1
+CC(C)NC(=O)c1ccccc1Nc2c(F)cnc(Nc3ccc(cc3)CNCCS(=O)(=O)C)n2	42
+CC(C)NC(=O)c1nc(sc1C(=O)OCC)-c2ccc(NC(NCC)=O)nc2	7874
+CC(C)NC(=O)c1nc(sc1C(O)=O)-c2cnc(cc2)NC(NCC)=O	6
+CC1(C)CC2(OCCO2)CC(C)(C)N1c3nc(Cl)nc(N(C(C)C)C(C)C)n3	436
+CC(C)N(C(C)C)C(c1ccc(cc1)O)=O	30
+CC(C)N(C(CC)C(=O)OC)c1nc(ncc1[N+](=O)[O-])Cl	2619
+FC(F)(F)S(=O)(=O)Oc1ccc2C=C(c3cc(Cl)ccc3)N(CC(=O)NC(C)C)C(c2c1)=O	166
+CC(C)NC(CN1C(=O)c2cc(ccc2C=C1c3cc(Cl)ccc3)O)=O	5
+CC(C)NCCc1cccc(c1)O	15
+CC(C)NC(=O)c1[nH]c(C=O)nc1	7875
+CC1(C)OB(OC1(C)C)c2c(ccc(c2F)C(NC(C)C)=O)F	17
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CN(C4)c5ccc(C(=O)NC(C)C)cc5F)CC#N)c3)c2cc1	79
+CC(C)NC(=O)c1c(cccc1)Nc2nc(Cl)ncc2Cl	73
+C[Si](C)(C)CCOC(=O)c1cc(S(=O)(=O)N(C2CCC(CC2)C(=O)OC)C(C)C)ccc1	92
+CC(C)N(C=O)C1c2n(CCC1)c3ccccc3c2C	1003
+CC(C)NC=1N=C2C=CC=CN2C(=O)C=1c3ccc(cc3)Cl	7876
+c1cc(ccc1F)S(=O)(=O)N(CC(=O)OC)C(C)C	1387
+c1cc(ccc1)-c2ncc(N(C(C)C)CCCCO)nc2-c3ccccc3	317
+Fc1cccc(F)c1N2C(=O)C=Cc3c2nc(nc3-c4c(C)ccc(C(=O)Nc5sccn5)c4)NCCCNC(C)C	306
+O=S(=O)(Nc1c(ccc([N+]([O-])=O)c1)OCCNC(C)C)C	57
+CC(C)N(C(c1nc2-c3cc(ccc3OCCc2s1)Br)=O)CCO	1999
+CC(C)N(CCOc1c(-n2cccc2)cc(cc1)[N+](=O)[O-])CCc3cc(OC)c(cc3)OC	28
+CC(C)N(S(=O)(=O)c1ccc2N(CCOc2c1)C)Cc3c(nc4c(cccc4C)c3)O	92
+c1cc(ccc1F)C(=O)N(Cc2c(OCCCCCC(OCC)=O)cccc2)C(C)C	30
+c1cc(ccc1Br)C(=O)N(Cc2ccccc2O)C(C)C	30
+CC(C)NCc1cccc(c1)-c2cc(ccc2OC)N	0
+c1cc(ccc1OC(C(N(C(C)C)Cc2nc(-c3cccnc3)no2)=O)C)CCC	58
+FC(F)(F)C1=NN(C(=O)C1C)C(C)C	7877
+c12c(cccc1)C(=O)N(C2=O)CCCN(C(C)C)S(=O)(=O)c3ccccc3[N+]([O-])=O	831
+CC(C)Nc1cc(C(=O)O)c(cc1C(=O)N)C	1
+CC(C)Nc1c(ccc(c1)Br)C(OC)=O	272
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1C(=O)OCC	201
+CC(C)Nc1nc(SC)ncc1C(=O)O	6
+CC(C)Nc1ccc(Br)cc1N	0
+CC(C)Nc1c(c(ccc1)F)N	0
+CC(C)Nc1nc(CC)c(cc1N)Br	13
+CC(C)Nc1ccccc1N	0
+CC(C)Nc1c(cnc(c1)Nc2nc(N3CCC(CC3)OC)ncc2)N	13
+CC(C)N1c2cccc(c2NC1=O)F	1989
+CC(C)Nc1c(C(=O)N)cc(C)c(C(OC)=O)c1	216
+CC(C)N1C(=O)Nc2c1ccc(Cl)c2	1595
+CC(C)Nc1c(cc(cc1)Cl)N	0
+CC1(C)c2c(N(C1=O)CCCCC)cc(N)c(NC(C)C)c2	0
+c1ccccc1C(O)CN(CCc2ccc(cc2)-c3ccc(C(=O)OC)c(c3)NC(C)C)Cc4ccccc4	170
+C1CN(CCC1OC)c2nccc(Nc3ncc4c(n(c(CC)n4)C(C)C)c3)n2	730
+CC(C)N(C(=O)C1CCC(CC1N=[N+]=[N-])C)c2cc(-c3ccccc3)sc2C(=O)OC	1987
+CC(C)n1nnc2ccc(C(O)=O)cc12	2183
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1C(=O)O	6
+CC(C)Nc1cc(ncc1C(NC2CCC(CC2)=O)=O)Nc3cc4c(ncs4)cc3	97
+CC(C)n1c2c(nc1Nc3ccc(cc3)C(=O)OC)cc(cc2)Br	1023
+CC(C)Nc1ccn(n1)-c2nc3cc(OC)ccc3c(O)c2	4347
+CC(C)Nc1ccn(n1)-c2nc3c(ccc(c3)OC)c(Cl)c2	4348
+CC(C)Nc1n(C)c2ccc(cc2n1)N(c3ccnc(Nc4cc(c(Cl)cc4)S(=O)(=O)N)n3)C	55
+CC(C)Nc1nc2c(ccc(Nc3nc(ncc3)Cl)c2)n1C	73
+CC(C)Nc1n(c2c(n1)cc(N)cc2)C	0
+CC(C)Nc1nc(cc(n1)C#N)C	331
+CC(C)Nc1nc(cc(n1)C)C(OCC)=O	226
+CC(C)N1C(C(=Nc2cc(Br)c(CC)nc12)C)=O	7878
+CC(C)(c1ccc(-c2nc(NC(C)C)c3c(c2)N=CN(C)C3=O)cn1)O	1608
+CC(C)Nc1nc(SC)nc(c1C=CC(=O)OCC)C	4349
+CC(C)N1C(C=Cc2c(C)nc(SC)nc12)=O	3690
+CC(C)Nc1nc(ncc1C(=O)N)SC	2757
+CC(C)Nc1nc(C)cc(C(N)=NO)n1	7879
+CC(C)Nc1nc(C)cc(C(N)=O)n1	314
+CC(C)Nc1nc(SC)nc(C)c1I	2906
+c1ccccc1C2CCc3c2nc(Nc4ccc(c(c4)OC)-n5cc(nc5)Cl)nc3NC(C)C	55
+CC(C)Nc1c(C(=O)N)cnc(n1)S(C)=O	3802
+CC(C)Nc1n(C)c2ccc(N(C)c3nc(Cl)ncc3)cc2n1	1121
+CC(C)Nc1c2c(cc(cc2)-c3c(C)ccc(c3)C(Nc4ccnn4CC)=O)cnn1	99
+CC(C)Nn1c2c(c(N)nc3cc(-c4cccc(NS(=O)(=O)C)c4)ccc23)nc1CCC	495
+CC(C)Nn1c(CCC)nc2c(nc3cc(Br)ccc3c12)N	461
+CC(C)Nn1cnc2c(N)nc3c(cccc3)c12	461
+CC1(C)CCC(C)(C)C1C(O)=O	7880
+CN(C)C(=O)c1ccc(cc1)-c2cc(ccc2COC(C)C)NC(=O)C3(CC3)c4cc5OCOc5cc4	2638
+Clc1cccc(c1)-c2nnn(n2)C(C)CC(=O)O	7881
+FC(F)(F)Oc1cc(CC(=O)O)cc(Cl)c1	7882
+FC(F)(F)c1cccc(CNC(=O)c2cc(ncc2)-c3cc(OC(C)C)ccc3[N+](=O)[O-])c1	57
+CC(C)Oc1c(cnc(N)c1)C#N	2009
+CC(C)Oc1n[nH]c(N)c1	7883
+CC(C)OC(=O)CN1C(N(C(=O)N(C1=O)C)c2cc(c(cc2Cl)F)[N+](=O)[O-])=O	27
+CC(C)Oc1ccc(S(=O)(=O)C)cc1C(O)=O	556
+CC(C)Oc1n2c(ccc1)nc(-c3c(cccc3F)Cl)c2Nc4ccc5OCCOc5c4	7884
+CC(C)OC(=O)c1cnc[nH]1	1910
+CC(C)Oc1ccc(C(C)=O)cc1Cl	419
+CC(C)OC(c1cccnc1Cl)=O	342
+CC(C)OC(c1cccc(Cc2cc3c(C)c(-c4ccnc(N)n4)sc3cc2)c1)=O	47
+CC(C)Oc1cc(Cl)c(cc1[N+]([O-])=O)C	57
+CC(C)OC(c1cccc(Br)c1)=O	47
+CC(C)OC(Cc1c(cc(cc1)[N+](=O)[O-])[N+]([O-])=O)=O	204
+CC(C)Oc1cc(c(Br)cc1[N+]([O-])=O)C	20
+c1c(OC)c(c(cc1-c2nc(N)nc(OC(C)C)c2C#N)OC)OC	7885
+CC(C)Oc1cc(ccc1)CC(=O)OC	419
+CC(C)Oc1ncccc1[N+]([O-])=O	430
+CC(C)OC(=O)c1cc(c(N2CC(C2)C(NS(=O)(=O)Cc3ccccc3)=O)nc1C(F)F)C#N	7886
+CC(C)OC(=O)Nc1c(C)nnn1-c2ccc(cc2)Br	2907
+C1N(CC1C(c2cc(F)cc(C(=O)OC(C)C)c2)C(C)(C)F)C(c3cccc(c3)C#N)c4ccc(cc4)Cl	47
+C1CN(CCN1C(c2c(OC(C)C)ccc(c2F)S(=O)(=O)C)=O)c3ccc(cc3)C#N	57
+CC(C)n1cc([N+]([O-])=O)cn1	2010
+OB(O)c1ccc(C2CCC2)c(c1F)OC	579
+OB(O)c1ccc2c(CCCC2)c1	579
+OB(O)c1ccc(OC(C)C)c(c1)OCC	1719
+OB(O)c1c(OCCC)c(cc(C(C)C)c1)C(C)C	281
+CC(C)C1=CCC(C)(C)c2cc(c(B(O)O)cc12)C	281
+OB(O)c1cc2c(ccc(Cl)c2)o1	7887
+CC(C)OB(OC(C)C)c1cc(c(cc1)OCCOC2CCCCO2)C(F)(F)F	585
+FC(F)(F)c1c(OCOCCOC)ccc(B(O)O)c1	281
+CC(C)OB(OC(C)C)c1cc(c(cc1)OCCCOC2CCCCO2)C(F)(F)F	585
+FC(F)(F)c1cc(B(O)O)ccc1OCCCOC2CCCCO2	281
+FC(F)(F)c1c(cncc1)B(O)O	2639
+OB(O)c1ccccc1CCOC2OCCCC2	281
+OB(O)c1c(cc(c(c1)Cl)-c2cc(ccc2)F)OC	1719
+OB(O)c1c(C)c(OCOC)ccc1	281
+c1c(C)c(c(cc1OCOC)C)B(O)O	281
+c1(cc(cc(OC)c1Cl)B(O)O)OC	281
+OB(O)c1c(cccc1)-c2c(ccc(c2)Br)OC	1719
+OB(O)c1cc2c(cccc2s1)C(O)=O	7888
+OB(O)c1ccc(F)c(c1F)OCCCCCC	1509
+OB(O)c1ccc(C#N)c(c1)OC	281
+OB(O)c1ccc(c(OCC)c1)Cl	281
+OB(O)c1ccc2cc(ccc2c1)-c3c4ccccc4c5ccccc5c3	281
+CC(C)OB(OC(C)C)c1ccc2c(c1)CCCC2	585
+OB(O)c1cc(C#N)ccc1OC	281
+c1ccccc1COc2ccccc2-c3ccccc3B(O)O	281
+c1cc(ccc1)COc2c(cc(Cl)cc2)-c3c(B(O)O)cccc3	281
+CC(C)OB(OC(C)C)c1ccc(cc1)-c2cc3c(c4ccccc24)cccc3	585
+c1cc(ccc1B(O)O)-c2ncccc2	281
+CC(C)(c1ccc(cc1)B(O)O)C(=O)O	281
+c1cc(ccc1B(O)O)CCN2C(C)CCC2	281
+OB(O)c1cc(ccc1F)I	1509
+c1cc(ccc1Nc2ccc(B(O)O)cn2)Cl	2639
+OB(O)c1ccc(cc1)Oc2ccccc2F	1719
+OB(O)c1cccc(c1)-c2cc3ccccc3cc2	281
+c1ccccc1Oc2cc(c(cc2)B(O)O)F	281
+OB(O)c1ccc(cc1Cl)-c2cncc(C)n2	1719
+OB(O)c1cc2c(c(F)c1)-n3c(CC2)nnc3C	281
+OB(O)c1cc(OC)cnc1F	2698
+CC(C)(C)[Si](C)(C)Oc1ccc(B(O)OC(C)C)cc1C2CCCCC2	579
+FC(F)(F)c1cc(ccc1OCCCOC2CCCCO2)B(OC(C)C)O	579
+FC(F)(F)c1cc(B(OC(C)C)O)ccc1OCCOC2CCCCO2	579
+CC(C)OB(O)c1c(c(OC)c(C2CCC2)cc1)F	579
+c1cc(ccc1B(OC(C)C)O)-c2c3ccccc3c4c(cccc4)c2	579
+CC(C)(C)[Si](C)(C)OC(CCc1cnccc1)C(Oc2ccc(cc2)B(OC(C)C)O)C	579
+CC(C)OB(O)c1ccc2c(CCCC2)c1	579
+c1([nH]c2c(cc(cc2)F)c1C)CCC(=O)O	887
+CC(C)OC(CN1C(N(C(N(C)C1=O)=O)c2c(cc(c(N3C(c4c(C3=O)c(F)ccc4)=O)c2)F)Cl)=O)=O	668
+CC(C)OC(=O)CN1C(=O)N(c2c(cc(F)c(N)c2)Cl)C(N(C1=O)C)=O	0
+C(Oc1ccc(c(c1C#N)NCc2c(F)ccc(c2)-c3cc(ccc3)F)F)C(=O)O	887
+c1c(-c2cc(ccc2)F)cc(c(F)c1C)CNc3c(C)ccc(OCC(=O)O)c3C	887
+C(Oc1ccc(c(c1F)NCc2cc(-c3cc(ccc3)F)cc(F)c2C)F)C(=O)O	887
+c1c(c(c(NCc2cc(OC)cc(-c3cc(F)ccc3)c2)c(C)c1)C)OCC(=O)O	887
+CC(C)OC(=O)COc1cccc(CN(CCCCn2c(CCOC)nc3c2c4c(cccc4)nc3N)CCN(C)C)c1	48
+CC(C)OC(N(C)CCCNc1nn2c(cc1)ncc2Br)=O	232
+CC(C)OC(=O)N1c2cc(c(cc2N(C(C1)C)C(C)=O)[N+](=O)[O-])-c3ccc(cc3)S(=O)(=O)C	99
+c1cc(ccc1S(=O)(=O)C)-c2cc3N(CC(N(c3cc2N)C(C)=O)C)C(=O)OC(C)C	0
+c1c(cc2c(c1)N(C(C)CC2N)C(=O)C)Br	4350
+c1cc(ccc1-c2ccc(cc2)-n3c(c(C)nn3)NC(OC(C)C)=O)C4(CC4)C(OC)=O	99
+c1(F)cc(cc(F)c1C=O)NC(=O)OC(C)C	151
+FC(F)(F)C(=O)N1CCC(CC1)c2ccc(cc2)C(c3c(cc4cc(C(=O)OC(C)C)ccn34)CCCC)=O	4351
+c12c(cc(cc1)CO)ncn2-c3cccc(c3)Br	7889
+CC(C)OC(=O)c1cccc(c1)C#Cc2cc(c(cc2)CC(O)=O)F	3
+CC(C)OC(=O)c1n(cnc1)C2c3c(CCC2)c(cc(Br)c3)F	7890
+CC(C)OC(c1c(nc(O)c(C#N)c1)C)=O	2908
+CC(C)OC(COc1c(C)c(c(F)cc1)NCc2c(OC)c(cc(-c3cccc(F)c3)c2)C)=O	52
+CC(C)OC(=O)COc1c(c(c(F)cc1)NCc2c(c(F)cc(c2)-c3cccc(c3)F)C)F	52
+CC(C)OC(=O)COc1c(C)c(c(cc1)C)NCc2cc(-c3cccc(F)c3)cc(c2F)C	52
+CC(C)OC(=O)COc1c(C#N)c(NCc2c(ccc(-c3cc(ccc3)F)c2)F)c(cc1)F	52
+c1c(c(c(NCc2c(OC)c(cc(-c3cc(F)ccc3)c2)C)c(F)c1)C)OCC(=O)O	887
+c1cc(cc2c1CCCC2Nc3cc(OCC(=O)O)ccc3)-c4cc(ccc4)F	887
+CC(C)OC(COc1cccc(c1)N=C2CCCc3ccc(cc23)-c4cccc(F)c4)=O	7891
+CC(C)OC(COc1cc(ccc1)NC2CCCc3ccc(cc23)-c4cccc(c4)F)=O	7892
+FC(F)(F)C(NCCCN(C)C(OC(C)C)=O)=O	66
+FC(F)(F)c1c(cc2C(=O)CC(N(C(=O)OC(C)C)c2c1)C)F	1199
+CC(C)OC(Nc1c(c(ccc1)F)C(OC)=O)=O	90
+c1(nc(nc(N)c1NC(=O)OC(C)C)-n2c3c(c(Cc4ccccc4F)n2)ncc(F)c3)N	7893
+CC(C)OC(Nc1cc(-c2[nH]c3ncc(cc3n2)Br)c(Cl)cc1)=O	90
+CC(C)OC(=O)Nc1cc(F)cc(F)c1	90
+CC(C)OC(Nc1c(C(OC)=O)ccc(Br)c1)=O	90
+CC(C)OC(N1c2c(N(C(C1)C)C(C)=O)ccc(Br)c2)=O	1199
+c1cc(ccc1CN)-c2n3nc(NCCCN(C)C(OC(C)C)=O)ccc3nc2	1414
+CC(C)OC(=O)N1c2cc(c([N+](=O)[O-])cc2N(C(C)=O)C(C)C1)Br	31
+c1cc(ccc1-c2cc3c(cc2)N(C(=O)C)C(C)CC3N)C(=O)OCC	4350
+CC(C)OC(=O)N(c1cccc(F)c1C(OC)=O)CCCC(OCC)=O	7894
+CC(C)OC(=O)c1cccnc1N2CCC(N(CC)Cc3sc(c(C)c3)C)C2	509
+CC(C)OC(=O)c1cccnc1N2CC(CC2)N(Cc3cccc(c3)CC)C	48
+CC(C)OC(=O)c1cc(C#N)c(nc1C)Cl	137
+CC(C)OC(=O)c1c(N2CCC(NCc3cccc(CC)c3)C2)nccc1	42
+C[Si](C)(C)C#Cc1cccc(C(=O)OC(C)C)c1	263
+CC(C)OC(=O)c1cccc(c1)C#Cc2cc(F)c(CC(OCC)=O)cc2	129
+CC(C)Oc1c(cc(C(=O)O)cn1)Cl	7895
+CC(C)OC1CC=C(c2c(C)c(C(=O)O)no2)CC1	6
+CC(C)OC1CCC(CC1)N2CCC(CC2)Nc3cc(c(F)cc3[N+](=O)[O-])C	60
+CC(C)OC1CCC(CC1)N2CCC(CC2)Nc3c(cc(c(c3)C)F)N	0
+CC(C)OCC(CC)OCC(CC)O	850
+FC(F)(F)C(=O)OC(CC)COC(CC)COC(C)C	4352
+CC(C)OCC(O)CO	265
+CC(C)OCCCNc1c2ccc(cc2ncc1[N+](=O)[O-])Br	105
+CC(C)OCCCn1c(nc2c1c3ccc(Br)cc3nc2)COCC	546
+CC(C)OCCCNc1c2ccc(cc2ncc1N)Br	13
+CC(C)OCCCn1c2c3c(cc(N4C(C=CC=C4)=O)cc3)nc(N)c2nc1COCC	7896
+CC(C)OCCCn1c(nc2c1c3c(nc2N)cc(Br)cc3)COCC	461
+CC(C)OCCCn1c(nc2c(N)nc3c(ccc(N4CCCC4=O)c3)c12)COCC	461
+c12c(C(=O)N(C1=O)OCCCOCOC(C)C)cccc2	1395
+CC(C)ON=C(C(NC1C2SCC(CSc3nnnn3C)=C(N2C1=O)C(=O)O)=O)c4nc(sc4)N	999
+CC(C)Oc1c2cc[nH]c2ncc1	624
+n1c(cn(CCCCCCCC(OC)=O)c1)-c2ccccc2O	1206
+c1ccccc1-n2c(c(OC(C)C)c(Br)c2Br)C(O)=O	6
+c1cc(ccc1C(OC)OC)-c2nc(-c3cc(Br)c(OC(C)C)cc3)no2	1416
+FC(F)(F)C(Nc1ccc(OC(C)C)c(Br)c1)=O	759
+CC(C)Oc1c(ccc(OCC)c1)Br	116
+CC(C)Oc1c(Br)ccc2oc(C(O)=O)c(C)c12	6
+CC(C)Oc1c(ccc2c1c(c(CO)o2)C)Br	2184
+CC(C)Oc1c(C#N)cc(-c2onc(-c3ccc(cc3Cl)OCCCCN(C)C)n2)cc1	28
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3cccc4c3CCC4N5CC(C5)O)cc1	7897
+CC(C)Oc1c(C#N)cc(-c2onc(-c3cccc4C(NCC(CCl)O)CCc34)n2)cc1	122
+CC(C)Oc1c(C#N)cc(-c2onc(-c3c4c(C(NCCS(=O)(=O)C)CC4)ccc3)n2)cc1	4353
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(s2)-c3c(c(ccc3)CCC(=O)OCC)CC	159
+C[Si](C)(C)CCOCOc1cc(c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)cc1)Cl	529
+C[Si](C)(C)CCOCOc1ccc(cc1)-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2	910
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3c4c(C(O)CCC4)ccc3)cc1	529
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(-c3c(CC)c(CCC=O)ccc3)s2	578
+CC(C)Oc1c(c(c(OCc2ccccc2)cn1)C(=O)OC)C	128
+CC(C)Oc1cc(-c2cn(nc2)C)c3ccnc(O)c3c1C	320
+CC(C)Oc1ccc(c(c1Cl)COS(=O)(=O)C)Cl	7
+CC(C)Oc1ccc(cc1Cl)-c2c(C=O)cn(n2)C3OCCCC3	1196
+CC(C)Oc1ncc(OCc2cc(F)c(cc2F)C(OCC)=O)cc1Cl	483
+CC(C)Oc1ncc(Oc2c(cc(cc2)C#N)Br)cc1Cl	551
+CC(C)Oc1c(Cl)cc(F)c(N2C(C3=C(CCC3)N(C)C2=O)=O)c1	7898
+CC(C)Oc1c(Cl)cc(c(N2C(C3=C(NC2=O)CCC3)=O)c1)F	7899
+CC(C)Oc1ccc(cc1I)C(=N)NO	181
+CC(C)Oc1c(cc(I)cc1)OCC	116
+CC(C)Oc1c(O)cc(I)cc1	173
+CN(C)CCOc1ccc([N+]([O-])=O)c(OC(C)C)c1	57
+CC(C)Oc1ncc(O)c(c1C)C(=O)OC	321
+c1ccccc1COc2c(c(C)cc(n2)C)CN3CCc4cnc(c(c4C3=O)Cl)OC(C)C	4354
+CC(C)Oc1c(cc(cc1)-c2ncc(cn2)-c3c(c(ccc3)OCCCC(=O)OCC)CC)C#N	1207
+CC(C)Oc1ccc(C#C)cc1C(NC(CO)Cc2c[nH]c3ccccc23)=O	14
+CC(C)Oc1ncc(cc1Cl)-c2onc(-c3cncc4[nH]ccc34)n2	7900
+CC(C)Oc1ncc(-c2onc(-c3c(cc4c(cn[nH]4)c3)F)n2)cc1Cl	1828
+CC(C)Oc1ncc(-c2nc(-c3cc4c(n(CCCC(=O)OCC)nc4)cc3C)no2)cc1Cl	7901
+COc1c(cc(C(=O)C)c(I)c1)O	1206
+O=S(=O)(c1c(Nc2nc(Nc3c(OC(C)C)cc(c(Br)c3)C)ncc2C)cccc1)C(C)C	55
+c1cc(ccc1CCC)-c2nc(-c3cc(I)c(OC(C)C)cc3Cl)no2	2185
+CC(C)Oc1cc(c(I)cc1OC)C(O)C	4355
+CC(C)Oc1c(cc(cc1)-c2ncc(cn2)-c3c(c(ccc3)OCCCC(O)=O)CC)C#N	3
+CC(C)Oc1c(cc(C#C)cc1)C(O)=O	1
+CC(C)Oc1ccc(cc1Cl)-c2onc(c2)C(=O)OCC	1208
+CC(C)Oc1ccc(cc1C(=O)NC(CO)Cc2c[nH]c3ccccc23)I	14
+CC(C)Oc1cc(ccc1C#N)OCC	160
+CC(C)Oc1c2c(ccc1OC)C(CCC2)=O	1720
+CC(C)Oc1c2c(C)c(oc2ccc1Br)CCl	7902
+CC(C)Oc1c(OC(C)=O)cc(cc1)I	694
+c1ccccc1OC(Nc2ncc(c(OC(C)C)c2)C#N)=O	278
+O(C)c1c2-c3c(O)cccc3C(=O)c2ccc1	1206
+c1cc(ccc1S(=O)(=O)n2c3c(c(OC(C)C)ccn3)c(c2)I)C	276
+CC(C)Oc1c2c(C(CCC2)=C)ccc1OC	1707
+CC(C)Oc1c2c(c[nH]c2ncc1)I	1361
+CC(C)Oc1c(C)c2c(c(c1)Br)ccnc2O	7903
+CC(C)Oc1c(c2c[n+]([O-])ccc2c(Br)c1)C	103
+CC(C)Oc1cc(C(O)=O)cc(c1)Br	329
+CC(C)Oc1cc(C(=O)Nc2ccc(cn2)C(O)=O)cc(OCC(C)C)c1	1
+O=S(=O)(c1ccccc1S(=O)(=O)N)NC(=O)c2ccc(c(OC(C)C)c2)Br	258
+CC(C)Oc1cc(C(=O)O)ccc1Br	1
+CCOP(OCC)(c1sc(C(c2cc(cc(C(O)=O)c2)OC(C)C)O)cc1)=O	7904
+CC(C)Oc1ccc(CO)c(c1)C	41
+CC(C)Oc1cc(c(cc1OC)Br)C(O)C	4355
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2C)[N+]([O-])=O)OC(C)C	632
+c1cc(ccn1)-c2cc(OC(C)C)c(cc2C)[N+]([O-])=O	7905
+COc1cc(Br)c(cc1O)C(=O)C	1206
+CC(C)Oc1c(cc(c(C)c1)Br)N	0
+CC(C)Oc1c(Cl)cc(c(NC(=O)NC=2CCCC=2C(OCC)=O)c1)F	7906
+CC(C)Oc1c(cc(I)c(C(=O)C)c1)OC	155
+CC(C)Oc1ccc(CN2Cc3ccc(cc3CC2)C(C)NC(=O)C)c(C)c1	131
+CC(C)Oc1cc(c(Br)cc1OC)C(C)=O	155
+CC(C)Oc1c(cc(c(c1)C2=CCC(CC2)N(C)C)C)[N+]([O-])=O	7907
+CC(C)Oc1cc(Br)c2c(c1C)c(OC(=O)C)ncc2	174
+CC(C)Oc1cc(cc(c1)C(Nc2ccc(cn2)C(=O)OC)=O)O	16
+CC(C)Oc1cc(Oc2nccnc2)cc3B(O)OC(CC(O)=O)c13	3
+CC(C)Oc1cc(ccc1)-c2cncc3cc(C=C4C(=O)NC(=O)S4)oc23	2025
+CC(C)Oc1cc(ccc1)-c2c3c(cnc2)cc(o3)C=O	2084
+CC(C)Oc1cc(ccc1)C(=O)COc2ccc(cc2)-c3cc(OCOC)no3	702
+c1cc(ccc1OCC(O)c2cccc(OC(C)C)c2)-c3cc(OCOC)no3	74
+O=S1(=O)NCC2(CC(C)N(Cc3cccc(OC(C)C)c3)CC2)N1c4cccc(c4)F	131
+CC(C)Oc1cccc(CCO)c1	95
+CC(C)Oc1cc(CCc2[nH]nc(Nc3ccnc(Cl)n3)c2)ccc1	349
+CC(C)Oc1c(N)ccc(c1)N2CCC3(N(CCC3)CC)C2	0
+O=S(=O)(c1ccc(cc1)C)OC(CC=Cc2cncc(c2)OC(C)C)C	36
+CC(C)Oc1nn(c(c1)CCC(=O)NS(=O)(=O)C(C)C)Cc2c(cc(cc2)Cl)Cl	344
+CC(C)Oc1ccc(-c2nc(no2)-c3cccc(c3CC)CCC(=O)O)cc1Cl	3
+CC(C)Oc1ccc(-c2nc(-c3cccc4ccn(c34)C)no2)cc1Cl	7908
+CC(C)Oc1ccc(-c2nc(no2)-c3ccc(OCC(OCC)=O)c4c3occ4)cc1Cl	52
+CC(C)Oc1ccc(-c2nc(-c3ccc(OCCCC(=O)OCC)c4c3occ4)no2)cc1Cl	8
+CC(C)Oc1ccc(-c2nc(-c3ccc(c4c3occ4)OCCCC(=O)O)no2)cc1Cl	3
+CC(C)Oc1ccc(-c2nc(no2)-c3c4n(C)cc(C=O)c4ccc3)cc1Cl	287
+CC(C)Oc1ccc(-c2nc(-c3c(c(CCC(=O)OCC)ccc3)CC)no2)cc1Cl	7909
+CC(C)Oc1ccc(-c2onc(-c3cccc4c(CNCCC(=O)OCC)cn(C)c34)n2)cc1Cl	249
+CC(C)Oc1ccc(-c2nc(no2)-c3c4c(c(cc3)OCC(O)=O)cco4)cc1Cl	3
+c1(c(cc(-c2nc(on2)-c3cc(c(cc3)OCCC)Cl)cc1)I)O	1206
+CC(C)Oc1ccc(-c2onc(-c3cccc4c(CNCCC(=O)O)cn(C)c34)n2)cc1Cl	3
+CC(C)Oc1ccc(-c2onc(-c3cccc4c3n(cc4CN5CCC(CC5)C(=O)O)C)n2)cc1Cl	3
+c1cc(ccc1C#Cc2ccc(c(C(=O)NC(CO)Cc3c[nH]c4ccccc34)c2)OC(C)C)C(=O)O	129
+CC(C)Oc1ccc(cc1C(O)=O)C#Cc2ccccc2OC	1
+CC(C)Oc1ccc(cc1Cl)-c2nc(-c3c4c(ccc3)n(CCC(=O)OCC)nc4)no2	7910
+C[Si](C)(C)CCOCOc1c2ccoc2c(-c3noc(n3)-c4cc(Cl)c(cc4)OC(C)C)cc1	7911
+CC(C)Oc1ccc(-c2nc(no2)-c3c(c(ccc3)Br)CC)cc1Cl	529
+CC(C)Oc1ccc(-c2nc(-c3ccc(Br)c4c3ccn4CC)no2)cc1Cl	529
+CC(C)Oc1c(cc(C(=O)O)cc1)C	1
+CC(C)Oc1c(cc(cc1)C(CC(C(OCC)=O)=O)=O)Cl	633
+CC(C)Oc1ccc(COc2ccc3c(c(c4C(CC(=O)O)CCn34)Cl)c2)cc1C#N	573
+CC(C)Oc1c(Cl)c(c(cc1)Cl)CO	49
+CC(C)Oc1ccc(Cl)c(c1Cl)C(O)=O	634
+CC(C)Oc1cc2c([nH]nc2N)cc1	7912
+C1CN(CCC1=Cc2cc(Oc3ccc(cn3)OC(C)C)ccc2)C(=O)Nc4nnccc4	437
+CC(C)Oc1c(cc(S(=O)(=O)C)cc1)C(N2Cc3c(c(F)ccc3)C2)=O	7913
+CC(C)Oc1ccc(cc1C(N2CC(OS(=O)(=O)C)CC2)=O)S(=O)(=O)C	7
+CC(C)Oc1ccc(cc1C(N2CCC(Oc3c(cc([N+](=O)[O-])cc3)F)C2)=O)S(=O)(=O)C	20
+CC(C)Oc1ccc(cc1C(N2CCC(Oc3c(cc(cc3F)C(=O)CC)F)C2)=O)S(=O)(=O)C	20
+FC(F)(F)c1cccc2c1CN(CC2)C(c3cc(S(=O)(=O)C)ccc3OC(C)C)=O	30
+CC(C)Oc1ccc(S(=O)(=O)C)cc1C(=O)N	169
+CC(C)Oc1ccc(N)c(C#N)c1	0
+CC(C)Oc1ccc(cc1)-c2cc(cc(n2)-c3ncccc3)F	4356
+c1cc(ccc1-n2c(C(=O)OCC)c(c3cc(-c4ccc(cc4)OC(C)C)ccc23)Br)OC(C)C	1194
+O=S(=O)(c1c(Cl)ccc(Cl)c1)Nc2ccc(c(c2)-c3nc4cc(-c5ccc(cc5)OC(C)C)ccc4o3)Cl	69
+CC(C)Oc1ccc(cc1)-c2cc3c(cc2)oc(n3)-c4cc(N)ccc4Cl	0
+CC(C)Oc1c(Br)cc(cc1)N	0
+O=S(=O)(c1cc(C(=O)N2CCC(Oc3ccc4ccccc4c3)C2)c(cc1)OC(C)C)C	624
+c1ccccc1C#Cc2cc(C(NC(C(OC)=O)(Cc3c4c([nH]c3)cccc4)C)=O)c(OC(C)C)cc2	259
+CC(C)Oc1c(C(=O)NC(CO)Cc2c3ncccc3[nH]c2)cc(cc1)C#Cc4ccccc4OC	14
+CC(C)Oc1c(cc(cc1)I)C(O)=O	1
+CC(C)Oc1ccc(C#Cc2ccccc2OC)cc1C(=O)OC	129
+c1ccccc1C#Cc2ccc(OC(C)C)c(C(=O)OC)c2	129
+CC(C)Oc1c(cc(cc1)-c2c(C=O)cn[nH]2)Cl	747
+CC(C)Oc1ccc(-c2cc(no2)COc3ccc(cc3)C#N)cc1Cl	20
+CC(C)Oc1ccc(-c2cc(C(O)=O)no2)cc1Cl	6
+CC(C)Oc1ccc(cc1Cl)-c2cc(no2)CO	194
+CC(C)Oc1ccc(-c2noc(-c3cc(Cl)c(cc3)OCCC)n2)cc1I	529
+O=S(=O)(c1c(OC(C)C)ccc(-c2ccc(C(NC)=O)c(c2)Cl)c1)NC(Cc3c[nH]c4c3cccc4)CO	11
+CC(C)Oc1cnc(cc1)C=O	178
+CC(C)Oc1ccc(nc1)CO	59
+CC(C)Oc1cccc(c1)CC=O	24
+CC(C)Oc1cc(C)c(cc1)C=O	151
+CC(C)Oc1cc(ccc1)CC(O)C	2700
+CC(C)Oc1cc(ccc1)CCc2cc(N)[nH]n2	4357
+c1ccccc1-c2c3cccc(OC(C)C)c3nc(C)n2	198
+CC(C)Oc1c2-c3c(cccc3OC)C(c2ccc1)=O	7914
+CC(C)Oc1c(cccc1)OC(=O)C	385
+CC(C)Oc1ccc(C(C)=O)nc1	955
+CC(C)Oc1cnc(cc1)C(O)C	4224
+CC(C)Oc1cc(cnc1)C=CCC(C)O	1514
+CC(C)Oc1n[nH]c(Nc2c(cnc(Cl)n2)[N+]([O-])=O)c1	349
+CC(C)Oc1n[nH]c(Nc2nc(Cl)ccc2[N+](=O)[O-])c1	346
+n1cc(cnc1C(C)Nc2ncc3c(n2)n(-c4n[nH]c(c4)OC(C)C)cn3)F	2610
+CC(C)Oc1cc(n[nH]1)-n2c3c(cnc(NC(c4ccc(F)cn4)C)n3)nc2	2610
+CC(C)Oc1n[nH]c(Nc2c([N+](=O)[O-])cnc(n2)NC(c3ccc(F)cn3)C)c1	96
+CC(C)Oc1n[nH]c(Nc2c([N+](=O)[O-])cnc(NC(C)c3ncc(cn3)F)n2)c1	96
+CC(C)Oc1cc([nH]n1)Nc2c(ccc(n2)NC(C)c3ncc(F)cc3)[N+]([O-])=O	70
+CC(C)Oc1ncc(-c2nc(-c3cc4c(n(CCCC(O)=O)nc4)cc3C)no2)cc1Cl	3
+CC(C)Oc1ncc(-c2onc(-c3cc4c(cc3F)n(nc4)CCCC(=O)OCC)n2)cc1Cl	1090
+CC(C)Oc1ncc(-c2onc(-c3cc4cnn(CCCC(O)=O)c4cc3F)n2)cc1Cl	3
+CC(C)Oc1ncc(OCc2c(cc(c(F)c2)C(=O)O)F)cc1Cl	6
+CC(C)Oc1ncc(Oc2c(-c3c(nccc3)OC)cc(cc2)C(=O)N)cc1Cl	216
+CC(C)Oc1ncc(Oc2ccc(C(=O)NS(=O)(=O)C)cc2-c3c(nccc3)OC)cc1Cl	4358
+CC(C)Oc1ncc(Oc2c(-c3c(nccc3)OC)cc(C#N)cc2)cc1Cl	305
+CC(C)Oc1ncc(cc1Cl)-c2nc(no2)-c3cncc4n(ccc34)CCCC(O)=O	3
+CC(C)Oc1ncc(cc1Cl)-c2nc(no2)-c3cncc4n(ccc34)CCCC(=O)OCC	7915
+CC(C)Oc1ncccc1Nc2ncnc3sc(c(C)c23)C(OC)=O	4359
+CC(C)Oc1ncccc1Nc2c3c(C)c(sc3ncn2)C(=O)O	1
+CC(C)Oc1ncccc1N	13
+CC(C)Oc1cc(n(n1)Cc2c(cc(cc2)Cl)Cl)CCC(=O)O	3
+CC(C)Oc1nn(Cc2c(cc(cc2)Cl)Cl)c(CCC(OCC)=O)c1	1253
+CC(C)Oc1nn(c(C=O)c1)Cc2ccc(cc2Cl)Cl	178
+CC(C)Sc1nc(C(OCC)=O)ccn1	1721
+CC(C)Sc1c(cc(cc1)[N+](=O)[O-])C=O	972
+CC(C)Sc1c(cc([N+]([O-])=O)cc1F)C=O	411
+CC(C)Sc1ccccc1C=O	411
+O=S(=O)(C(C)C)NC(c1ccc(cc1)Oc2cc(N3N=C(N(C3=O)C(F)F)C)c(F)cc2Cl)=O	2909
+CC(C)S(=O)(=O)NC1CCCCC1(O)c2ccc(cc2)OC	1035
+c1cc(ccc1-c2ccc(cc2)CC#N)C3CCCC3NS(=O)(=O)C(C)C	756
+c1cc(ccc1-c2ccc(cc2)C#N)C3CCCC3NS(=O)(=O)C(C)C	134
+CC(C)S(=O)(=O)NC1CCCC1c2ccc(cc2)N	0
+CC(C)S(=O)(=O)NC1C(CCC1)c2ccc(cc2)I	184
+CC(C)S(=O)(=O)NC1C(CCC1)c2ccc(cc2)[N+]([O-])=O	77
+C1CC(CCC1NS(=O)(=O)C(C)C)CNc2scc(-c3cccc(Br)n3)n2	3282
+O=S(=O)(NC1C(CCC1)=O)C(C)C	86
+CC(C)S(=O)(=O)NC1CCCC1c2ccc(cc2)NS(=O)(=O)C	80
+CC(C)S(=O)(=O)NC1C(=O)CCCC1	86
+c1cc(ccc1-n2nccc2NS(=O)(=O)C(C)C)Br	4360
+CC(C)S(=O)(=O)Nc1c(C(=O)O)cnn1-c2ccc(cc2)Br	6
+CC(C)S(=O)(=O)c1ccc(N)cc1C#N	0
+O=S(=O)(c1cc(C#N)ccc1C=O)C(C)C	2910
+CC(C)S(=O)(=O)c1ccccc1Nc2nc(ncc2Cl)Cl	73
+O=S(=O)(c1ccccc1Nc2nc(ncc2C)Cl)C(C)C	73
+O=S(=O)(c1ccccc1Nc2nc(ncn2)Cl)C(C)C	360
+CC(C)S(=O)(=O)c1ccccc1Nc2cc(ncc2Cl)Nc3c(cc(-c4ccc(cc4)C(OC)=O)c(c3)C)OC	7916
+O=S(=O)(NC(Nc1nc(C)cc(n1)C)=O)c2ccccc2S(=O)(=O)C(C)C	1722
+CC(C)S(=O)(=O)c1ccc(NC(=O)N(C)C)cc1C#N	2083
+O=S(=O)(C(C)C)c1ccc(cc1CN)NC(=O)N(C)C	107
+C[Si](C)(C)C#Cc1c(N)ncc(-c2ccc(cc2)S(=O)(=O)C(C)C)n1	4345
+CC(C)c1nc2c(n1-c3cccc(Oc4cc(S(=O)(=O)C(C)C)ccc4)c3)cccc2Cl	46
+CC(C)S(=O)(=O)c1ccccc1Nc2nc(Nc3cc(c(C4CCN(CC4)S(=O)(=O)C)c5CC(C)Oc35)C)ncn2	112
+CC(C)S(=O)(=O)c1ccccc1Nc2nc(Nc3cc(P(C)(C)=O)ccc3OC)ncc2Cl	55
+CC(C)S(=O)(=O)c1c(cccc1)S(=O)(=O)N=C=O	4361
+CC(C)SC(C)(C)C(C(O)=O)NC(=O)OCC	544
+CC(C)SCCCCCCCCCCCC(=O)Nc1ccccc1OCCCC(=O)N	728
+CC(C)SCCCCCCCCCCCC(=O)Nc1ccccc1OCCCC(OCC)=O	33
+CC(C)Sc1c(C=C)cc(cc1)[N+]([O-])=O	443
+CC(C)Sc1ccccc1C=C	443
+c1cc(ccc1)C(=O)Oc2cc(Cl)c(c(c2)Cl)OCCCOc3ccc(cc3)-n4c(SC(C)C)nnn4	20
+c1cc(ccc1OCCC(Br)O)-n2c(nnn2)SC(C)C	1791
+CC(C)Sc1nc(ccn1)CO	194
+Fc1cc(cc(F)c1OCc2ccnc(SC(C)C)n2)CCC(=O)OCC	20
+c1cc(ccc1OC)COc2cc(C(O)C(C)C)c(-c3cc(ccc3F)OC)cc2	4257
+CC1(C)Oc2c(cc(Br)c(c2Cl)OCC)C(=C1)C(C)C	2911
+CC1(C)Oc2cc(OC)c(cc2C(=C1)C(C)C)Br	2911
+CC1(C)C=C(c2c(cc(OCC)c(c2)Br)O1)C(C)C	2911
+CC1(C)c2c(cc(Br)c(C)c2)C(CC1)(C(C)C)O	7917
+CC(C)C(O)c1cc(C)c(cc1O)OC	4362
+CC(C)C(O)c1cc(Br)ccc1O	4362
+CC(C)[SiH](C(C)C)c1c(cc(cc1C)OCCCOC2CCCCO2)C	7918
+CC(C)[SiH](C(C)C)c1c(C)cc(cc1C)OCCC(=O)NCc2ccccc2	9
+CC(C)[SiH](C(C)C)c1c(C)cc(cc1C)OCCCO	168
+c1nc(NC2c3c(ccc(c3)C#C)N(C(C)C2)C(=O)C)ccc1C	7919
+CC(C)[Si](C(C)C)(C(C)C)C#Cc1ccc2N(C(C)CC(c2c1)Nc3ccc(cn3)C)C(=O)C	340
+CC(C)[Si](C(C)C)(C(C)C)c1cccc(c1C(=O)N(CC)CC)Cl	1091
+CC(C)[Si](C(C)C)(C(C)C)OCCc1cc(F)cc(F)c1	19
+CC(C)[Si](C(C)C)(C(C)C)OCc1c(N)ncc(Br)c1	19
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(c(ccc1)[N+]([O-])=O)N	154
+CC(C)[Si](C(C)C)(C(C)C)n1c2c(c(C=O)c1)cccn2	7920
+CC(C)[Si](C(C)C)(C(C)C)c1cc(ccc1)-c2ccccn2	1803
+CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)ccc12	7921
+CC(C)[Si](C(C)C)(C(C)C)OCCCC(O)COCc1ccccc1	19
+CC(C)[Si](C(C)C)(C(C)C)OCC(COCc1ccc(cc1)Br)C	19
+CC(C)[Si](C(C)C)(C(C)C)Oc1ccc(cc1)C=O	154
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)Br	19
+CC(C)[Si](C(C)C)(C(C)C)OCC#Cc1cc2OCCN3c2c(c1)C(=O)C(C(NCc4ccc(cc4)Cl)=O)=C3	4177
+CC(C)[Si](C(C)C)(C(C)C)Oc1cccc2[nH]ccc12	154
+CC(C)[Si](C(C)C)(C(C)C)OC1CN(CC1)c2n3c(ccc(c3)OC4CCC(c5c4cccc5)N)nn2	870
+CC(C)[Si](C(C)C)(C(C)C)OCC(c1ccccc1)C(Nc2cc3c(cncc3)cc2)=O	33
+CC(C)[Si](C(C)C)(C(C)C)OCC(C(=O)O)c1ccccc1	4
+c1cc(ccc1)C(CO)C(Nc2ccc3c(c2)ccnc3)=O	1209
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)CC(OC)=O	774
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)=CC(=O)OC	1513
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)CC(=O)N2C(COC2=O)Cc3ccccc3	2912
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)CC(=O)O	4
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)=O	86
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCN(C1)c2nnc3n2cc(cc3)OC4CCC(c5c4cccc5)N	870
+c1ccccc1COCC(OS(=O)(=O)C)CCCO	1209
+CC(C)[Si](C(C)C)(C(C)C)OCCCC(COCc1ccccc1)OS(=O)(=O)C	7
+CC(C)[Si](C(C)C)(C(C)C)OCCN1CCN(CC1)c2nnc3ccc(OC4CCC(c5c4cccc5)N)cn23	870
+CC(C)[Si](C(C)C)(C(C)C)OCCc1cc(F)c(c(c1)F)C=NOCC	135
+Fc1cc(cc(F)c1C=NOCC)CCO	1209
+CC(C)[Si](C(C)C)(C(C)C)OCCc1cc(F)c(c(F)c1)C=O	151
+CC(C)[Si](C(C)C)(C(C)C)OCc1c2nccn2cc(Br)c1	4363
+o1c(cc(CO)c1C)C(=O)OC	1209
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)C(O)c2cc(ccc2)C#N	257
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)C(CNC(OC(C)(C)C)=O)C(=O)Nc2ccc(C(=O)N)c(F)c2	33
+CC(C)(C)OC(=O)NCC(c1ccc(cc1)CO)C(=O)Nc2ccc(C(=O)N)c(F)c2	1209
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)C(c2cc(ccc2)C#N)OC3OCCCC3	219
+c1cc(ccc1CO)C(c2cc(ccc2)C#N)OC3OCCCC3	1209
+CC(C)[Si](C(C)C)(C(C)C)OCc1nonc1C=2N(c3ccc(c(c3)Cl)F)C(ON=2)=O	7922
+O=C1N(C(=NO1)c2c(non2)CO)c3cc(Cl)c(F)cc3	1209
+CC(C)[Si](C(C)C)(C(C)C)OC1CN(c2nnc3n2cc(cc3)F)CC1	655
+CC(C)[Si](C(C)C)(C(C)C)OCC1CN(CC1)c2n3cc(ccc3nn2)F	655
+CC(C)[Si](C(C)C)(C(C)C)n1ccc(c1-c2ccc(cc2)F)-c3ccncc3	7923
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=O)F	24
+CC(C)[Si](C(C)C)(C(C)C)Oc1cccc2nc(cnc12)O	7924
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(N)c(ccc1)N	0
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(F)cc(cc1F)CC(CO)CCc2ccc(cc2)C#N	21
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F	1992
+c1c2c(cccc2O)n(-c3ccnc(SC)n3)c1	7925
+CC(C)[Si](C(C)C)(C(C)C)Oc1ccc(cc1)C=C	443
+CC(C)[Si](C(C)C)(C(C)C)Oc1c2ccn(-c3nc(SC)ncc3)c2ccc1	2186
+FC(F)(F)c1cc(-c2ocnc2)cc(N3CCN(CC3)C(C)=O)c1	7926
+CC(C)[Si](C(C)C)(C(C)C)c1oc(-c2cc(cc(C(F)(F)F)c2)N3CCN(CC3)C(C)=O)cn1	7927
+CC(C)[Si](C(C)C)(C(C)C)n1cc(c2c1nccc2)C(O)c3c(F)nc(NCc4ccccc4Cl)cc3	7928
+CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(cccc12)N(C(CNC)=O)c3ccccc3	402
+Clc1c2cc[nH]c2ncc1Br	1723
+c1(F)c2cc[nH]c2ncc1Br	1723
+c1cc(ccc1-c2c(-c3cc(F)ncc3)c(C4=CCN(C(OCC=C)=O)CC4)c[nH]2)F	7929
+c12c(C(c3c(F)nc(cc3)NCc4c(Cl)cccc4)O)c[nH]c1nccc2	1723
+C1COCCN1Cc2c[nH]cc2	7930
+c1ccccc1N(C(=O)CNC)c2c3cc[nH]c3ccc2	7931
+c1ccccc1COC(=O)c2cc3cc[nH]c3nc2	1723
+c1(F)c2cc[nH]c2ncc1Cl	1723
+CC(C)[Si](C(C)C)(C(C)C)n1c2ccc(C(C3(c4ccccc4)CN(C(=O)OC)CC3)O)cc2cc1	1482
+CC(C)[Si]1(C(C)C)O[Si](C(C)C)(C(C)C)OC2C(O)C(n3c4ncnc(N)c4c(C(N)=O)c3)OC2CO1	7932
+c1cc(ccc1)Cn2c3cc(ccc3c(C=O)c2C(C)C)C(OCC)=O	190
+CC(C)c1[nH]nc(c1Cc2c(OCc3ccccc3)cccc2)OC4OC(C(C(C4O)O)O)CO	59
+CC(C)c1c(c(OC2OC(C(C(C2O)O)O)CO)n[nH]1)Cc3ccccc3O	16
+c1ccccc1COc2ccc(-c3nc(ccc3)-n4c(ccc4C)C)c(C(C)C)c2	119
+CC(C)c1c(c2c(cc(C(O)=O)cc2)n1Cc3ccccc3)C(=O)NCc4cc(F)c(cc4)F	6
+CC(C)c1c(c2c(cc(cc2)CO)n1Cc3ccccc3)C(NCc4cc(F)c(cc4)F)=O	217
+CC(C)c1n(c2c(c1C(=O)NCc3cc(F)c(cc3)F)ccc(C(O)=O)c2)Cc4occn4	6
+c1cc(ccc1F)-n2c(CO)c(C(C)C)c(C(OC)=O)n2	629
+CC(C)c1c(C(=O)OC)c(c(CC)n1Cc2ccccc2)CCCC	4364
+CC(C)c1n(Cc2ccccc2)c(c(CCCC)c1C(=O)O)CC	1
+CC(C)c1c([nH]c(C)c1C(=O)OCC)I	3989
+CC(C)c1c(CO)c(c(C(=O)OCC)c(n1)C(C)C)-c2ccc(cc2)F	351
+CC(C)c1c(CO)cccn1	351
+c1c(Cl)c(c(cc1)Cl)SCc2c(c(C(C)C)on2)COC	1043
+CC(C)c1c(C(=O)O)n(-c2ccc(cc2)F)nc1C(=O)OC	426
+CC(C)c1nc(c(CO)c(-c2ccc(cc2)S(=O)C)c1C=CCCC)C(C)C	357
+CC(C)c1c(cc2OCOc2c1)CCO	21
+c1cc(ccc1F)-c2c(CCl)c(nc(C(C)C)c2C(OCC)=O)C(C)C	447
+CC(C)c1c(cccn1)CCl	1045
+CC(C)c1c(COc2cc(C)c(cc2)C=COC)n(nc1)-c3c(Cl)cccc3Cl	1417
+c1c(Cl)c(c(cc1)Cl)-c2c(c(on2)C(C)C)COc3cc(c(cc3)-c4cc5c(s4)cccc5C(=O)O)C	2187
+CC(C)c1cc(S(=O)(=O)Cl)ccc1Cl	4365
+CC(C)c1c(N)ncnc1N2CCC(c3n(cc(-c4cc(c(cc4)F)C)n3)CCO)C(F)C2	54
+Cc1cc(cc(C)c1Oc2nnc(Cl)c(C(C)C)c2)CC(OC)=O	1119
+Clc1cc(cc(Cl)c1Oc2cc(c(Cl)nn2)C(C)C)CCO	1119
+CC(C)c1c(N)ncnc1N2CCC(C(F)C2)c3n(CCNC)cc(-c4cc(c(cc4)F)C)n3	1130
+C1C(CC1)C(c2c(c(C(C)C)ccc2)O)(O)C	1033
+CC(C)c1cc(C(C)C)ccc1O	4366
+O=S(=O)(Oc1ccc(cc1C(C)C)OC)c2ccc(cc2)C	1163
+CC(C)c1c(OC)cccc1	65
+CC(C)c1cc(ccc1O)Cl	662
+CC(C)c1cc(cnc1Cl)[N+](=O)[O-]	137
+c1c(Cl)c(c(cc1N2N=C(C(NC2=O)=O)C#N)Cl)Sc3cc(C(C)C)c(O)nn3	3298
+CC(C)c1c(OC)cc(c(Oc2c(Br)cc(cc2Br)CC(O)=O)c1)C(c3cc(C)ccc3)=O	4
+CC(C)c1c(ccc(C(O)c2c(C)cc(cc2)OC)c1C)OC	257
+O=S(=O)(Cl)c1ccc(c(c1)C(C)C)OC	240
+c1cc(ccc1)COc2c(C(C)C)cc(-c3onc(c3)C(=O)OCC)c(OCc4ccccc4)c2	1208
+c1cc(ccc1)Nc2c(Oc3c(cc(c(C)c3)OC)C(C)C)cnc(N)n2	73
+CC(C)c1c(Oc2c(Cl)nc(nc2)N)cc(c(OC)c1)C	64
+CC(C)c1ccc(Cl)cc1[N+](=O)[O-]	594
+CC(C)c1cc(C(C)C)c(c(Br)c1)OCCC	116
+CC(C)c1cccc(C)c1CCl	109
+CC(C)c1[nH]nc(c1Cc2ccccc2OCc3cccc(Cl)c3)OC4OC(C(C(C4O)O)O)CO	22
+CC(C)c1cc(c(c(c1)C(C)C)OC)-c2csc3c2cc(C(C)=CC(OC)=O)cc3	65
+CC(C)c1c(c(cc(Oc2c(cc(N)c(C)c2Br)Br)c1)CO)O	0
+CC(C)c1c(c(C)ccc1)CO	41
+CC(C)c1onc(c1CC(=O)NCc2c(cc(F)cc2)Cl)C(C)C	9
+CC(C)c1c(c(no1)COc2c(Cl)cccc2Cl)COc3cc4c(cc3)n(cc4)Cc5cc(ccc5)C(=O)O	1
+CC(C)c1ccc(c(c1)OCc2c3ccccc3c(nc2C)-c4c(ccc5[nH]ncc45)C(C)C)C	7933
+c1ccccc1Cn2c3cc(O)ccc3c(C(NCc4cc(F)c(cc4)F)=O)c2C(C)C	5
+c1cc(ccc1)Cn2c3cc(ccc3c(C(NCc4cc(F)c(cc4)F)=O)c2C(C)C)C=O	39
+CC(C)c1nn2c(c(CO)ccc2OC)c1C(O)=O	426
+CC(C)c1c(c2ccc(O)cc2n1Cc3ccccn3)C(=O)NCc4cc(F)c(cc4)F	5
+c1cc(ccc1)S(=O)(=O)n2cc(c(C(C)C)c2Br)C(=O)OC	917
+CC(C)c1c(C(O)=O)cc([nH]1)-c2ccnc(C=Cc3ccccc3)c2	6
+CC(C)c1c(cc(c(B(O)O)c1)OC)F	493
+CC(C)c1c(cc(OC)c(OC)c1)Cc2cnc(nc2NCC)SC	40
+CC(C)c1cc(OC)c(OC)cc1Cc2c(nc(S(=O)(=O)C)nc2)NCC	528
+FC(F)(F)c1cc(N)c(cc1C)-c2cc(c(F)cc2OC)C(C)C	134
+FC(F)(F)c1ccc(-c2cc(C(C)C)c(cc2OC)F)c(CO)c1	134
+c1ccccc1-c2c(C(C)C)nc(c(C#N)c2)N3CCNC(C)C3	43
+CC(C)c1ccc(Br)cc1C(O)c2cc3N(Cc4ccccc4)CCOc3cc2	257
+c1ccccc1CN2c3c(CCC2)ccc(c3)C(O)c4cc(Br)ccc4C(C)C	257
+CC(C)c1c(CC(O)=O)cc2OCOc2c1	270
+CC(C)c1cc(Oc2c(Br)cc([N+](=O)[O-])c(C)c2Br)ccc1O	5
+CC(C)c1c(ccc(Oc2c(Br)cc([N+](=O)[O-])c(C)c2Br)c1)OC	4367
+c1(Br)cc(cc(Br)c1Oc2cc(c(cc2)OC)C(C)C)CC(OC)=O	4367
+CC(C)c1cccc2C(=O)C(Nc12)=O	1418
+CC(C)c1[n+]([O-])cccc1CCl	103
+FC(F)(F)c1cnc(cc1)-n2nc(C(C)C)c(c2)C(=O)OCC	1706
+CC(C)c1cc(Cl)ncc1CO	382
+CC(C)c1cc(ncc1C(O)C)Cl	2129
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3ccc(c(c3)C)-c4cc(OCCCC)c(C(O)=O)cc4	500
+CC(C)c1c(COc2cc(C)c(cc2)C=O)n(nc1)-c3c(Cl)cccc3Cl	146
+CC(C)c1c(n2ncc(Br)c2nc1C)OC	4055
+CC(C)c1c(C)nc(nc1Cl)SC	64
+CC(C)c1c(nc(Nc2c(C(=O)N)nnc(c2)Cl)cc1)OC	314
+c1c(C)c(c(cc1N)C)Oc2ccc3[nH]nc(c3c2)C(C)C	0
+CC(C)c1cc(nc2c1c(ccc2C)C)Cl	532
+CC1(C)OB(OC1(C)C)c2cc3c(n(C)cc3C(C)C)c(c2)C(=O)NCc4c(nc(C)cc4C)O	17
+CC1(C)OB(OC1(C)C)c2cnc3c(c(C(C)C)c[nH]3)c2	234
+CC(C)c1c2c(ncnc2sc1)N3C4CC(C(OCCOS(=O)(=O)C)C4)C3	7
+CC(C)c1c2c(ncnc2sc1)N3C4CC(OCCN5CC6CC5CO6)C(C4)C3	123
+CC(C)c1c2cc(Br)cc(C(O)=O)c2[nH]c1	2160
+CC(C)c1c2cc(cc(C(=O)O)c2n(C)c1)Br	144
+CC(C)c1cn(c2c1cc(-c3ccc(nc3)C)cc2C(O)=O)C	305
+CC(C)c1c2c(c(cc(c2)Br)C(NCc3c(nc(C)cc3C)O)=O)n(C)c1	56
+c1cc(ccc1)Cc2c(c(nc(C)c2)O)CNC(c3c4n(C)cc(C(C)C)c4cc(c3)Br)=O	56
+CC(C)c1c2c([nH]n1)ccc(Oc3c(C)cc(cc3C)[N+]([O-])=O)c2	46
+c1cc(ccc1)Nc2nc3c(cn2)ccc(OC)c3C(C)C	744
+CC(C)c1c2nc(ncc2ccc1OC)Cl	1047
+CC(C)c1c[nH]c(c1)C(O)=O	1
+CC(C)c1c(c(cc(C(C)C)c1)-c2csc3ccc(C(C)=CC(OC)=O)cc23)O	241
+CC(C)c1cc(c(cc1)N)C=2CCCCC=2	989
+CC(C)c1cc(C#N)c(N)cc1	180
+CC(C)c1cc(Br)ccc1OCc2ccccc2	139
+CC(C)c1cc(Br)ccc1OCc2ccccc2	22
+CC(C)c1cc(ccc1OCc2ccccc2)C=O	146
+c1cc(ccc1Oc2ccc(OCc3ccccc3)c(C(C)C)c2)OCC	304
+CC(C)c1cc(c(cc1)Nc2ccc(cc2[N+](=O)[O-])F)C#N	275
+C1CC1(N)c2cc(C(C)C)ccc2	4368
+CC(C)c1sc2N=c3ccc(C(N)=O)cn3C(=O)c2c1	3370
+CC(C)c1c(cc(c(CC(OC)=O)c1)C)OC	27
+CC(C)c1c(cnc(c1)Cl)C=O	200
+O(C)B(OC)c1cc(C(C)C)c(cc1OC)F	4369
+CC(C)c1cc(NNC(Nc2cc(Cl)cc(Cl)c2)=O)nc3c(C)ccc(C)c13	7934
+c1ccccc1COc2cc(C(C)C)ccc2C=O	22
+CC(C)c1ccc(c(c1)OCc2c(nc(Cl)nc2C)Cl)C	2171
+CC(C)c1ccc(c(c1)OCc2c3ccccc3c(Cl)nc2C)C	751
+CC(C)c1nc(c(c(O)c1)[N+](=O)[O-])O	475
+CC(C)c1cc(OC)c(OC)cc1Cc2cnc(nc2NCC)N	1408
+CC(C)c1cc(c(C(N)=O)cc1Oc2cnc(nc2N)N)OC	7935
+CC(C)c1c(cc(C2=NCCN2)c(OC)c1)Oc3cnc(nc3N)N	2086
+CC(C)c1c(cc(c(OC)c1)C(=NO)N)Oc2cnc(nc2N)N	253
+O=S(=O)(NCCc1ccc(C(C)C)cc1OCC(=O)OCC)c2c(OC)ccc(C#N)c2	71
+CC(C)c1cc(Oc2c(cc(c(C)c2Br)[N+]([O-])=O)Br)cc(C=O)c1O	502
+CC(C)c1c(c(cc(c1)Oc2c(cc(c(C)c2Br)[N+](=O)[O-])Br)CO)O	41
+O=S(=O)(c1cc(C(C)C)c(Cl)cc1)Nc2cc(Cl)cnc2C(c3c4cc[nH]c4ncc3)=O	322
+CC(C)c1cc([N+]([O-])=O)c(cc1)C(=O)O	944
+CC(C)c1ccc(c(N)c1)C(=O)O	0
+CC(C)c1c(Oc2cnc(nc2N)N)cc(c(c1)OC)C(N)=S	581
+c1c(C)c(c(cc1)C)-c2nc(C)c(COc3c(ccc(c3)C(C)C)C)c(OC)n2	345
+CC(C)c1cc(C(C(O)=O)CCCCl)c(cc1OC)C	4
+CC(C)c1cc(c(I)cc1Oc2c(N)nc(nc2)NC(CCC(O)=O)=O)OC	4
+C[Si](C)(C)C#Cc1c(OC)cc(c(Oc2cnc(nc2N)N)c1)C(C)C	311
+CC(C)c1cc(c(cc1Oc2cnc(nc2N)N)-c3occc3)OC	4209
+CC(C)c1cc(OC)c(cc1Oc2cnc(nc2N)N)C#N	1942
+CC(C)c1cc(-c2csc3c2cc(cc3)C(C)=CC(O)=O)c(c(c1)C(C)C)OC	127
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C3=CCCCC3)C(C)C	616
+CC(C)c1cc(cc(C(C)C)c1CO)C(C)C	1146
+CC(C)c1cc(cc(C(C)C)c1C=COC)Br	1417
+CC(C)c1cc(cc(C(C)C)c1CP(OCc2ccccc2)(OCc3ccccc3)=O)C(C)C	7936
+CC(C)c1cc(cc(C(C)C)c1C=O)Br	1669
+CC(C)c1cc(cc(C(C)C)c1I)Br	158
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2cc(c(cc2)C(O)=O)O)C(c3c(Cc4ccccc4Br)oc(C)c3C)=O	1163
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2ccc(c(c2)O)C(O)=O)C(c3c(Cc4ccc(cc4)Br)oc(c3C)C)=O	1163
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2ccc(c(c2)O)C(O)=O)C(=O)c3c(c(oc3Cc4cc(Br)ccc4)C)C	1163
+CC(C)c1cc(cc(C(C)C)c1O)C=C(S(=O)(=O)NCCCc2ccccc2)C#N	2593
+CC(C)c1cc(cc(C(C)C)c1O)C(c2c(c(oc2Cc3cc(Br)ccc3)C)C)=O	5
+CC(C)c1cc(cc(C(C)C)c1OC)C(=O)c2c(c(oc2Cc3cc(Br)ccc3)C)C	2913
+CC(C)c1cc(cc(C(C)C)c1OC)C(c2c(Cc3ccccc3Br)oc(C)c2C)=O	2913
+CC(C)c1cc(cc(C(C)C)c1OC)C(c2c(Cc3ccc(cc3)Br)oc(c2C)C)=O	2913
+CC(C)c1cc(cc(C(C)C)c1O)C(c2c(Cc3ccc(cc3)Br)oc(c2C)C)=O	5
+CC(C)c1cc(cc(C(C)C)c1O)C(c2c(C)c(C)oc2Cc3ccccc3Br)=O	5
+CC(C)c1cc(Cl)cc(c1O)N	0
+CC(C)c1cc(Br)cc2c1[nH]cc2	1561
+c1cc(ccc1-c2nc3cc(C#N)cc(c3o2)C(C)C)C(O)=O	1
+CC(C)c1cc(ccc1)NC(c2cc(ccc2)N3CCc4c(C3)cncc4C(=O)NCC(OC)=O)=O	4370
+CC(C)c1cc(ccc1)NC(c2cc(ccc2)N3CCc4c(cncc4C3)C(O)=O)=O	1
+CC(C)c1cc(O)c(C=O)cc1	502
+c1ccccc1COc2cccc(c2)C(C)C	22
+CC(C)c1cccc(Oc2ncc(cn2)[N+]([O-])=O)c1	893
+CC(C)c1cc(cc(c1O)[N+]([O-])=O)Cl	31
+CC(C)c1cc(C(=O)O)ccc1OCc2ccccc2	500
+CC(C)c1cc(c(I)cc1Oc2cnc(nc2N)N)OC	694
+c1ccccc1CSc2c(C(C)C)cc([N+](=O)[O-])cn2	1272
+ClC(Cl)(Cl)COC(Nc1cc(nn1-c2cc3c(ncs3)cc2)C(C)C)=O	278
+c1cc(ccc1Nc2cc(C(C)C)nc(Cl)n2)C	73
+CC(C)c1cc(NN)nc2c(C)ccc(C)c12	2572
+CC(C)c1c(C(=O)C)cnc(Cl)c1	716
+CC(C)c1c(cc2OCOc2c1)CC#N	177
+c1cc(ccc1CO)NC(=O)c2ccc(Cc3cc(cc4c3oc(C(C)C)c4)Cl)o2	768
+CC(C)c1ccc2c(c1)ncnc2Cl	64
+CC(C)c1nn2c(c(ccc2OC)C=O)c1	200
+CC(C)c1cc2c(c(cc(c2)Cl)Cc3oc(C(O)=O)cc3)o1	1
+c1cc(ccc1)CN2c3cc(ccc3OCC2)Cc4c(C(C)C)ccc(Br)c4	452
+c1ccccc1COC(Nc2ccc(C(C)C)nc2O)=O	7937
+CC(C)c1cc([N+]([O-])=O)c(CCN)cc1	51
+CC(C)c1c(cc(Cl)cc1)N	0
+CC(C)c1cnc(F)c(I)c1	625
+CC(C)c1ccc(cn1)NC(c2cnn(c2)C=C)=O	4371
+CC(C)c1ncc(NCc2cn(nc2)C=C)cc1	4150
+CC(C)c1ccc(nn1)Cl	218
+CC(C)c1cc2c(cc1)c(ncn2)O	1116
+CC(C)c1nc(OC)c(cc1)-c2ncc(NC(C)COC)nc2Cl	7938
+Cc1cccc(C)c1-c2nc(c(c(C)n2)COc3cc(ccc3C)C(C)C)N4CCNC(C4)C	54
+CC(C)c1ccc(c(OCC(=O)NN)c1)CCNS(=O)(=O)c2c(O)ccc(C#N)c2	743
+CC(C)c1cc(c(C)cc1)OCc2c(nc(Cl)nc2OC)C	145
+CC(C)c1cc([N+](=O)[O-])c(cc1)C#N	180
+CC(C)c1ccc(cc1)-c2ccnc(c2)Cl	174
+c1cc(ccc1-c2cncc(-c3cccc(c3)C(=O)OCC)c2)C(C)C	89
+CC(C)c1ccc(cc1)-c2n(CCOC)c3c(cc(Cc4cccnc4SC)cc3OC)n2	2188
+c1cc(ccc1)-c2ccc(c3n(CCOC)c(nc23)-c4ccc(cc4)C(C)C)OC	3789
+c1cc(ccc1C2c3c(cc(C)c(c3OC2)C)C)C(C)C	20
+O=S(=O)(C)OC1CN(C1)Cc2ccc(cc2)C(C)C	7
+CC(C)c1ccc(cc1)Cc2c(C)cc(cc2OC)C	65
+c1cc(ccc1C(C)C)C#Cc2ccc(cc2)C(C)C(NCC)=O	129
+c1cc(ccc1C(C)C)N(c2ccc(cc2)C(C)C)C(=O)C	7939
+c1ccccc1COC(Nc2cc(cnc2OC)-c3ccnc(C(=O)Nc4cc(C)c(cc4)C(C)C)c3)=O	4372
+CC(C)c1ccc(nn1)N	1969
+CC(C)c1cccc(C(C)C)c1-n2c3ccccc3nc2-c4cc(ccc4)-c5ccc6c(c7c(cccc7o6)O)n5	5
+CC(C)c1cccc(C(C)C)c1-n2ccnc2-c3cccc(c3)-n4c5c(c6ccccc46)ccc(C#N)c5	7940
+CC(C)c1cccc(C(C)C)c1C(=O)O	595
+CC(C)c1cccc(C(C)C)c1CO	1146
+CC(C)c1cccc(C(C)C)c1N=Cc2cccc(-c3cc(OCCC=C)c(C)cc3C)n2	119
+CC(C)c1cccc(C(C)C)c1NC(C)(C)c2nc(-c3c(ccc4ccccc34)CNc5ccccc5)ccc2	245
+CC(C)c1cccc(C(C)C)c1NC(C)(C)c2nc(-c3c4ccccc4ccc3CNc5c(cc(cc5C)C)C)ccc2	245
+CC(C)c1cccc(C(C)C)c1NC(CN2C(N(C(C)(CCC)C2=O)c3ccc(cc3)C)=O)=O	4373
+CC(C)c1cccc(C(C)C)c1NC(=O)CN2C(=O)C3(CCN(CC3)C(=O)C)N(c4ccc(cc4)C)C2=O	4373
+CC(C)c1cc(cc(C(C)C)c1O)C=O	502
+CC(C)c1c(c(ccc1)C)C=O	146
+CC(C)c1c(Cl)ccc(N)c1	196
+CC(C)c1cccc(c1)Nc2c(C#N)cnc3c2cc(nc3)F	179
+CC(C)c1cccc(Oc2ncc(cn2)N)c1	193
+CC(C)c1cccc(C)c1Br	1078
+CC(C)c1c2[nH]ccc2ccc1	1561
+CC(C)c1c(cccc1)C=O	146
+CC(C)c1c(cccc1)NC(=O)C=NO	1048
+c1ccccc1-c2c(Nc3c(C(C)C)cccc3)c([N+]([O-])=O)ccc2	275
+CC(C)c1c2c(n(c1)C)c(C(NCc3c(cc(C)nc3O)C)=O)cc(c2)-c4cnc(C)cc4	56
+CC(C)c1cnc(F)c(c1)C#N	2189
+CC(C)c1n(c2ccccc2n1)CCCCCO	44
+c1cc(ccc1)Cn2c(CC)c(c(c2C(C)C)C(=O)NCc3cc(F)c(cc3)F)CCCC	56
+CC(C)c1c(C(=O)NCc2cc(F)c(cc2)F)c3c(cc(cc3)C(OCC)=O)n1Cc4ccccc4	56
+CC(C)c1c(c2c(cc(OC)cc2)n1Cc3ccccc3)C(NCc4cc(F)c(cc4)F)=O	56
+CC(C)c1c(c2ccc(OC)cc2n1Cc3ccccn3)C(NCc4cc(F)c(cc4)F)=O	56
+CC(C)c1c(C(=O)NCc2cc(F)c(cc2)F)c3c(cc(cc3)C(OCC)=O)n1Cc4occn4	56
+CC(C)c1n(-c2cc(cc(C(O)=O)c2)-c3ccc(cn3)Cl)nnn1	1
+CC(C)c1nnc2c(ccc(SC)n12)C(O)=O	1
+c1ccccc1OC(=O)NCc2ccccc2Sc3ccc4n(c(C(C)C)nn4)c3	101
+CC(C)c1n2c(c(ccc2C)C(O)=O)nn1	1
+CC(C)c1n2cc(ccc2nn1)Sc3c(cccc3)CN=[N+]=[N-]	925
+CC(C)c1nnc2ccc(cn12)OC3CCC(N)c4cc(ccc34)F	870
+CC(C)c1n2c(ccc(Sc3c(CN)cccc3)c2)nn1	18
+FC(F)(F)c1cc(ncc1)-n2cc(CCC(=O)OCC)c(n2)C(C)C	1706
+c1ccccc1COc2c(c(ccc2)Cl)-c3nc(C(C)C)c(OCC)o3	57
+CC(C)c1nc(Cl)c(C#N)c(-c2ccc(Cl)c(c2)Cl)n1	64
+CC(C)c1nc(-c2cccc(c2)N)c(-c3nc(ncc3)Cl)s1	2087
+CC(C)c1nc(c(-c2ccnc(n2)Cl)s1)-c3cc(ccc3)NS(=O)(=O)c4cc(ccc4)F	69
+O1CC(COC1(C)C)c2ccc(cc2)Oc3ncnc(N4CCC(CC4)c5nc(no5)C(C)C)c3[N+]([O-])=O	54
+CC(C)c1nc(SCC(N)=O)c(c(-c2cc(c(Cl)cc2)Cl)n1)C#N	3769
+CC(C)c1ncsc1Br	2190
+CC(C)c1nc(sn1)N2CCC(CC2)N3C(=O)C(Cc4ccc(cc4)S(=O)(=O)C)CC3	7941
+CC(C)c1nc(c(c(-c2ccccc2)c1)C#N)N3CC(C)N(CC3)C(=O)c4cocc4	1859
+CC(C)c1nc(O)c(c(NCC)c1)[N+](=O)[O-]	105
+CC(C)c1nc(c([N+](=O)[O-])c(c1)N)O	1724
+CC(C)c1nc(Cl)c([N+]([O-])=O)c(NCC)c1	137
+CC(C)c1nc(-c2ccc(c(Cl)c2)Cl)c3c(sc(c3N)C(=O)N)n1	3770
+CC(C)c1sc(-c2nc(ncc2)NC)c(-c3cc(ccc3)NS(=O)(=O)c4cc(ccc4)F)n1	96
+CC(C)c1nc(c(c(c1C=CCCC)-c2ccc(cc2)S(=O)(=O)C)CO)C(C)C	2146
+CC(C)c1nc(O)c([N+]([O-])=O)c(c1)Cl	120
+CC(C)c1nc(CNC)cs1	7942
+CC1(C)C(C)(C)OB(O1)c2cc(c(nc2)N3CCC(CC3)c4noc(C(C)C)n4)C#N	234
+COc1nc(nc(OC)c1)Oc2c(-c3oc(OCC)c(C(C)C)n3)c(ccc2)Cl	2914
+C1CN(CCC1COS(=O)(=O)C)c2nc(C(C)C)no2	7
+CC(C)c1nc2c(cccc2Cl)n1-c3cc(ccc3)O	5
+CC(C)c1nc2c(Cl)cccc2n1-c3cccc(OC)c3	2846
+O=S(=O)(C)c1cc(Oc2cccc(-n3c(nc4c3cccc4Cl)C(C)C)c2)cc(Cl)c1	415
+CC(C)c1n(ccn1)CC2CC3c4c5c([nH]cc5CC3N(C)C2)ccc4	2840
+c1(C)cccc(C)c1-c2nc3CCN(Cc3c(n2)O)c4n(nc(C(C)C)c4)C	104
+CC(C)c1cc2c(ccc(OC)n2n1)CO	7943
+c1cc(ccc1OC(=O)c2ccc(n3c2cc(n3)C(C)C)OC)[N+]([O-])=O	852
+CC(C)c1nn2c(c(ccc2OC)C(O)=O)c1	1725
+CC(C)c1nnc(-c2cc(N)ccc2)o1	0
+CC(C)c1n2c(c(C(=O)OC)ccc2SC)nn1	7944
+CC(C)c1nnc2ccc(nn12)C#Cc3c(cc(cc3)F)F	3872
+CC(C)c1n2c(ccc(OC3c4c(C(CC3)NC(Nc5cnn(c5)-c6ccc(cc6)C)=O)cccc4)c2)nn1	1962
+CC(C)c1oc(-c2c(N)ncc(c2)-c3ccc4[nH]ccc4c3)nn1	89
+c1(C)cccc(C)c1OCc2c(C(OC)=O)c(on2)C(C)C	20
+CC(C)c1c(c(no1)COc2c(Cl)cccc2Cl)COc3cc4c(n(cc4)Cc5cccc(c5)C(OC)=O)cc3	20
+c1(cccc(Cl)c1Cc2noc(C(C)C)c2CO)Cl	88
+CC1(C)OB(OC1(C)C)c2cnc(N3CCN(CC3)c4noc(C(C)C)n4)c(C#N)c2	234
+c1(Cl)cccc(Cl)c1CCc2c(CO)c(C(C)C)on2	88
+c1(C)cccc(C)c1OCc2c(CO)c(C(C)C)on2	88
+CC(C)c1onc(c1COc2ccc(cc2)-c3ccc4c(c3)ccc(C(O)=O)n4)CS(c5c(cccc5Cl)Cl)=O	6
+CC(C)c1sc2c(C(n3cc(C#N)ccc3=N2)=O)c1	1014
+CC(C)c1cc2c(s1)N=c3n(cc(cc3)-c4[nH]nnn4)C2=O	2915
+CC(C)n1ncc(Cl)c1-c2cc(N)ccc2OC	0
+CC(C)n1c(-c2c(OC)ccc([N+]([O-])=O)c2)c(Cl)cn1	697
+CC(C)n1c2c(cc1C(O)=O)cc(O)cc2	16
+c1cnccc1-c2cc(c3c(n2)n(nc3)C(C)C)C(=O)OCC	7945
+c1cc(ccc1)C(=O)Nc2n(c3c(cc4c(C(C)(C)C(=O)N4CCCCC)c3)n2)C(C)C	2879
+CC(C)n1c(Nc2ncc(Cl)c(c2)Nc3ccc(F)cc3C(NOC)=O)cc(C)n1	7946
+CC(C)n1c(Nc2ncc(Cl)c(c2)Nc3ccc(cc3C(=O)O)F)cc(C)n1	7947
+c1cc(ccc1F)-c2c(c(n(C(C)C)c2C(=O)OCc3ccccc3)C=O)-c4ccc(cc4)F	470
+CC(C)n1c2c(cc1-c3c(OC)nc(nc3)OC)C(N(C4CCN(CC4)C(=O)NC)C2c5ccc(cc5)Cl)=O	2041
+C1CNCCC1Nc2nc(-c3n(C(C)C)c(nc3)C)ccn2	62
+C1CC(CCC1NC(=O)CCN(C)C)Nc2nc(ccn2)-c3n(C(C)C)c(nc3)C	9
+CC(C)n1c(cnc1C)-c2nc(ncc2)Nc3ccc(cc3)N4CCN(CC4)C(CO)=O	948
+CC(C)n1c(cnc1C)-c2nc(Cl)ncc2	740
+CC(C)n1c2c(cn1)c(C(NCc3c(nc(C)cc3C)O)=O)cc(C4=CCN(CC4)C(=O)CCCN(C)C)n2	2699
+CC(C)n1c2c(c(C(c3ccnc(c3)NC(=O)Cc4ncc(C#N)cc4)=O)c1)cncn2	1684
+CC(C)n1c2cc(ccc2c(C(=O)Nc3nccs3)c1)O	5
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cc(ccc4)CO)nc12	14
+CC(C)n1cc(C)c2c(C(=O)O)cc(cc12)Br	1
+c1cc(ccc1O)CCNc2nc(Cl)cc3c2ncn3C(C)C	1679
+CC(C)n1ncc2cc(ccc12)OC(c3ccccc3)C(C)N	669
+CC(C)n1c2cc(C=O)ccc2nn1	760
+CC(C)n1ccc2ccc(cc12)CO	98
+C1CC(CCN1C(CCCN(C)C)=O)c2nc3n(C(C)C)ncc3c(C(=O)NCc4c(nc(C)cc4C)O)c2	1676
+CC(C)n1c2nc(cc(C(=O)NCc3c(nc(C)cc3C)O)c2cn1)Cl	14
+CC(C)n1nc(c2c1ccnc2)C(=O)c3cc(N)ncc3	1380
+CC(C)n1c2c(c(C(c3ccnc(c3)NC(=O)Cc4ncc(cc4)Br)=O)c1)cncn2	142
+CC(C)n1c2c(c(cc(Br)c2)C(OC)=O)c(c1)C	4374
+CC(C)n1c2c(c(c1)C(=O)Nc3nccs3)ccc(OC)c2	2916
+CC(C)n1c2c(c(cc(Br)c2)C(=O)NCc3c(O)nc(CO)cc3C)c(C)c1	104
+c1cc(ccc1S(=O)(=O)NC)-c2cc(c3c(C)nn(c3n2)C(C)C)C(=O)NCc4c(nc(C)cc4C)O	140
+CN(C)c1cc(C(=O)NCc2c(nc(C)cc2C)O)c3cnn(C(C)C)c3n1	43
+CC(C)n1ncc2c(cc(-c3ccc(cc3)F)nc12)C(NCc4c(nc(C)cc4C)O)=O	140
+CC(C)n1c2c(cn1)c(cc(Cl)n2)C(=O)O	137
+O=S(=O)(Nc1ccc(cc1)-c2cn(C(C)C)c3ncnc(N)c23)c4ccccc4	869
+CC(C)n1nc(c2c(N)ncnc12)-c3cc(c(cc3F)O)F	5
+CC(C)n1nc(-c2cc3c(cc2)N(CC3)C(=O)Cc4cc(F)ccc4F)c5c1ncnc5N	918
+CC(C)n1c2ncnc(N)c2c(-c3cc(F)c(OC)cc3F)n1	920
+CC(C)n1c2c(c(-c3cc(c(O)cc3)F)n1)c(N)ncn2	920
+c1cc(ccc1-c2cn(C(C)C)c3c2c(ncn3)Cl)OC	2123
+c1cc(ccc1-c2cn(C(C)C)c3c2c(ncn3)Cl)[N+](=O)[O-]	2123
+CC(C)n1cc(C(=O)c2ccnc(Br)c2)c3c1ncnc3	4233
+CC(C)n1cnc(-c2cc3nccc(Oc4c(cc(NC(=O)CC(Nc5c(OC)cccc5)=O)cc4)F)c3s2)c1	4375
+CC(C)n1cc(-c2cc3c(c(Oc4ccc(N)cc4F)ccn3)s2)nc1	0
+CC(C)n1c2c(cncn2)c(c1)C(c3ccnc(N)c3)=O	1380
+CC(C)n1c2cc(cc(c2c(C)c1)C(NCc3c(cc(nc3OC)CO)C)=O)Br	14
+CC(C)n1cc(N)cn1	209
+CC(C)n1cc(c2c1cc(cc2)C)C(=O)Nc3nccs3	2916
+CC(C)n1ccc2ccc(cc12)COC	76
+CC(C)n1cc(-c2cc3c(c(ccn3)Oc4ccc([N+]([O-])=O)cc4F)s2)nc1	680
+c1cc(ccc1)Nc2nc(ccn2)-c3cncn3C(C)C	7948
+CC(C)n1c(Nc2ncc(c(Nc3ccc(F)cc3C#N)c2)Cl)cc(C)n1	346
+CC(C)n1cc(c(I)n1)-c2nc(Cl)ncc2	740
+CC(C)n1nc(-c2c(F)ccc(NS(=O)(=O)CCC)c2F)c(-c3ccnc(n3)NCC(C)NC(=O)OC)c1	1016
+c1cc(ccc1)CNc2nc(ccn2)-c3c(-c4sc(Cl)cc4)nn(C(C)C)c3	435
+CC(C)n1nc(c(c1)-c2ccnc(S(=O)(=O)C)n2)-c3sc(Cl)cc3	737
+CN(C)C=CC(=O)c1c(nn(c1)C(C)C)I	277
+CC(C)n1c2nc(Cl)cc(C(=O)NCc3c(nc(C)cc3C)O)c2c(n1)C	14
+CC(C)n1nc(C(=O)NN)c2ccccc12	1726
+CC(C)n1c(-c2c(ccc(NC(=O)Nc3ccc(F)c(F)c3)c2)OC)c(Cl)cn1	124
+CC(C)n1c2c(c(cc(-c3cccc(CO)c3)n2)C(=O)O)cn1	6
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cccc(c4)CN(C)CCCN(C)C)nc12	131
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cccc(CN(C)C)c4)nc12	131
+CC(C)n1ncc2c(N3CC4CCC(C3)O4)nc(-c5ccc(cc5)N)nc12	0
+c1cc(ccc1[N+](=O)[O-])-c2nc(Cl)c3c(n2)n(C(C)C)nc3	1203
+CC(C)(C)OC(N1CC=C(c2cc(C(NCc3c(nc(C)cc3C)O)=O)c4c(n(nc4)C(C)C)n2)CC1)=O	4376
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(nc12)-c4ccc(cc4)N5CCN(CC5)C	245
+CC(C)n1ncc2c(cc(-c3ccc(cc3)CO)nc12)C(NCc4c(nc(C)cc4C)O)=O	119
+CC(C)n1ncc2c1nc(-c3cnc(nc3)N)cc2C(NCc4c(nc(C)cc4C)O)=O	7949
+CC(C)n1ncc2c1nc(Br)cc2C(=O)NCc3c(nc(C)cc3C)O	7950
+CC(C)n1c2c(c(cc(n2)C(=O)C)C(=O)NCc3c(nc(C)cc3C)O)cn1	1867
+CC(C)n1ncc2cc(ccc12)OC(c3ccccc3)C(NS(=O)(=O)C)C	111
+CC1(C)C(C)(C)OB(O1)c2ccc3-c4nc(-c5n(ncn5)C(C)C)cn4CCOc3c2	17
+CC(C)n1ncnc1-c2sc3c(-c4c(cc(cc4)C5CN(C5)C(C)(C)C(=O)N)OCC3)n2	527
+CC(C)n1c2c(ccc(C(=O)N(OC)C)c2)nn1	280
+C(O)CC(CC(=O)OC)C	21
+Clc1ccc2c(n(C(=O)CC(C)CC(OC)=O)c(CCCCCC)c2)c1	2917
+C1CN(CCC1Oc2c(C(CC)C)cccc2)c3ncc(cn3)Br	419
+CC(CC=C(CC)C)C(CC)=CCOc1cc2c(cc1)CCCO2	2888
+CCC(C(C)CC1OC1(CC)C)=CCOc2cc3OCCCc3cc2	7951
+c1(ccc(C)n1-c2c(ccc(Cl)c2)[N+](=O)[O-])C	1727
+c1(C)ccc(C)n1C(C)CO	7952
+Cc1ccc(C)n1-c2c(cc(F)cc2)Cl	1727
+c1(C)ccc(C)n1-c2cc(F)cc(F)c2	1727
+c1cc(C)n(c1C)-c2ccc(cc2F)I	1727
+c1cc(C)n(c1C)-c2ccn(-c3ccccc3)n2	7953
+c1cc(C)n(c1C)-c2ccccc2	1727
+c1cc(ccc1Cl)C(=O)C(c2ccc(cc2)Cl)NC(=O)CCCCCC(C#N)C	612
+C(CCc1cc2c(cccc2)cc1)C(CC(=O)C(OCC)=O)=O	1135
+C(NC(C)=O)Cc1cc2c(OCO2)cc1CC#N	177
+c12CCN=C(c1cccc2Br)C	1120
+n1cccc(-n2cc(c(Cl)n2)NCC)c1	15
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c4c(ncc3C#N)cc(c(NC(=O)C)c4)OCC	179
+c1([N+]([O-])=O)c(c2c(cc1)CCCC2)N	106
+C1Cc2c(CC1)c(NC(=O)C)cc(F)c2C	165
+Fc1c(F)c2c(c(NC(=O)C)c1)CCCC2	165
+CC(=O)Nc1c2OCOc2c(cc1Cl)C(OC)=O	196
+c1(cc2ccc(c(OC)c2c3cc(C)ccc13)OC)NCC	15
+Nc1c(c(Cl)c(cc1)Br)C	106
+n1[nH]c(c(c1NC(C)=O)I)-c2cc(F)ccc2	1419
+c1(C)cc(cc(C)c1S(=O)(=O)N)Nc2ncc(Br)c(n2)OC(C(C)O)C	55
+c1c2c(ccc1)C(=O)N(C2=O)C(c3cnc4ccccc4c3Cl)C	4377
+CC(O)c1c(c(Sc2c(F)cccc2)ccc1)OC	297
+C(C)(Cl)c1cccc(Sc2c(F)cccc2)c1OC	525
+c1c(cc(c(OC)c1C(C)=O)OC)Cl	155
+c1cc(ccc1-c2sc(F)cc2NC(OC(c3ccccc3C)C)=O)-c4ccc(cc4)C5(CC5)C(=O)OCC	2578
+c1cc(ccc1-c2c(c(no2)C)NC(=O)OC(C)c3c(cccc3)Cl)Br	2918
+c1cc(ccc1-c2nocc2NC(=O)OC(c3c(cccc3)Cl)C)CCCl	2918
+C1(C2(C)C(C3C(=O)C=C4C(C)(CCC(C4)OC(=O)C)C3CC2)CC1)OC(C)=O	7954
+CC1(C)OB(OC1(C)C)c2cc3c(c[nH]c3nc2)C(C)c4c(Cl)ccc(F)c4Cl	234
+Clc1c(C(COC)C)c(F)ccc1	21
+c1(c(NC(=O)OC(c2ccccc2F)C)c(-c3cc(C)c(cc3)Br)on1)C	2918
+NNC(=O)C(C)c1c(cc2ncccc2c1F)F	561
+c12nc(c(cc1cc(Cl)c(OC)c2)C(C)=O)OC	716
+CC(=O)c1cc(C(=O)OC)cc(c1)N	0
+CC(C(=O)O)c1cc(Cl)c(cc1)C#N	4
+O=S(=O)(NCCC(=O)NC(c1cncn1C)(C)c2ccc(c(F)c2)C#N)c3cc(OC)ccc3	9
+c1(C(=O)CBr)cccc(OCc2cc(c(cc2)Cl)Cl)c1	380
+c1c(C(=O)C)c(O)c(c(c1Cl)OCCOCCOc2c(c(ccc2C(C)=O)OCC(=O)OCC)CCC)CCC	262
+CC(c1cc(C(=O)OC)cc(c1)[N+]([O-])=O)=O	128
+FC(F)(F)c1cc2c(CCN(C2)C(C3(CN(CC3)C(c4ccc5c(N(C)C(=O)N5C)c4)C)COC)=O)nc1	3617
+c1cc(ccc1)COc2c(ccc(c2)CC)Oc3ccc(cc3F)C(=O)C	46
+CC(c1ccc(c(F)c1)-c2cc(ccc2)O)C(OC)=O	134
+CC(c1ccc(I)c(F)c1)C(OC)=O	158
+c1c(C(C(O)=O)C)cc(c(c1)OC)OC	4
+FC(F)(F)C(c1ccc2c(N(C)C(=O)CO2)c1)(C(C)c3ccc(OC)cc3Cl)O	1379
+CC(c1ccc(N)c(F)c1)C(OC)=O	0
+c1ccccc1CCCNC(=O)Oc2cccc(c2)-c3ccc(cc3F)C(C(=O)OC)C	1890
+C(C)(c1cccc(C#N)c1)O	74
+CN(C)C=CC(=O)c1cccc(C#N)c1	277
+c1cc(ccc1)N(c2ccccc2)c3cc4c(n(c5c4cccc5)C(C)=O)cc3	7955
+c1ccc2c(c3ccccc3n2-c4cccc(-c5cc6c(n(c7ccccc67)C(C)=O)cc5)c4)c1	99
+c1cc(ccc1Oc2cc3c(C(C)(C(OC)=O)CCO3)cc2C#N)C(=O)NCCc4ccc(cc4)Cl	46
+c1ccc2CC(Cc2c1)(C(OC)=O)C	4378
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(-c3ccc(cc3)I)ccc2CC	158
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2c(ccc(c2)-c3ccc(cc3)C#C)CC	75
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2c(ccc(-c3ccc(cc3)C#C[Si](C)(C)C)c2)CC	311
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(ccc2C3CC3)Oc4ccc(Cl)cc4Cl	304
+c1(I)cc(-c2c3c(n(cn3)CC)nnc2)ccc1F	7956
+c1cc(ccc1Cc2nc(c(Cl)c(c2F)N)C=O)F	4254
+C1(=O)c2ccccc2C(=O)N1CCCOc3cc4c(N(C(=O)C(C)(C)C(=O)N4C)CC)cc3	8
+CC1(C)Nc2c(N(C)C1=O)c(c(cc2)-c3c(ccc(Cl)c3)O)CO	7957
+CC1(C)c2ccc(C=O)cc2N(C)C1=O	39
+CC1(C)C(N(c2cc3nc(NC(c4ccccc4)=O)[nH]c3cc12)CC)=O	2879
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4c5c(ccc(C(=O)N)c5)n[nH]4)[nH]3)CC	169
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4[nH]nc5ccc(C(=O)N=CN(C)C)cc45)[nH]3)CC	2098
+CC1(C)CC2CCC(C(=O)NCc3c(Cl)nccn3)CN2C1=O	9
+CC1(C)C(=O)N2CC(C(=O)O)CCC2C1	4
+CC1(C)C(=O)N2CC(c3nc(Br)c4c(N)nccn34)CCC2C1	522
+CC1(C)NCc2cc(C=CC(N(Cc3c(c(Cl)ccc3)OCCC)C)=O)cnc2NC1=O	2385
+CC1(C)C(N(c2c(ccc(Br)c2CO)N1)C)=O	239
+O=S(=O)(OC(C1C(C)(C)C1C(OCC)=O)C(Cl)Cl)c2ccc(cc2)C	36
+c1cc(ccc1S(=O)(=O)NC2c3cc(ccc3OC(C)(C)C2O)CC(NC4CCCc5ccccc45)=O)CC	71
+CC1(C)C(Nc2c(C(=O)N)cnn3cc(Br)cc23)CCC1(C(=O)OC)C	719
+CC1(C)c2c(cc(c(c2)N)N)C(C)(C)C1(C)C	0
+CC1(C)C(C)(C)C1C(c2c3cc(c(OC)cc3[nH]c2)OCc4ccccc4)=O	432
+CC1(C)C(C)(C)C1C(=O)Cl	130
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(nn2)-c3ccc(cc3OC)B4OC(C)(C)C(C)(C)O4	425
+CC1(C)C(C)(C)OB(O1)c2cc3CC(C)(C)Oc3cc2	17
+OB(O)c1c(c(ncc1)N2C(=O)c3cc4CC(C)(C)Cc4n3CC2)COC(C)=O	7958
+CC1(C)OB(OC1(C)C)c2c(F)cc3OC(C)(C)CNc3c2	17
+CC1(C)OB(OC1(C)C)c2cc3c(C(NCC3(C)C)=O)cc2	17
+CC1(C)C(C)(C)OB(O1)c2cc(-c3cccc4c5c(cccc5)sc34)cc(c2)-c6ccc7-c8ccccc8C(C)(C)c7c6	632
+CC1(C)C(C)(C)OB(O1)C=2C=C(Nc3cc(on3)CC)C(=O)N(C)C=2	1371
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2F)NC(Nc3ccc(cc3)C(=O)N(C)C)=O	17
+CC1(C)OB(OC1(C)C)c2cccc(N3CCC(CC3)C(N(C)C)=O)c2	17
+CC1(C)OB(OC1(C)C)c2cc(N3CC(N(C)C)CC3)ccc2	17
+CC1(C)C(C)(C)OB(O1)c2cc(F)cc(NCCN(C)C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cnc(N)c(S(=O)(=O)N(C)C)c2	234
+CC1(C)OB(OC1(C)C)c2c(C=O)cc(Oc3nc(N(C)C)c(C#N)cc3)cc2	17
+CC1(C)OB(OC1(C)C)C=2C=C(C(=O)N(C)C=2)Nc3nn4CCN(CCOC)Cc4c3	1371
+OB(O)C=1C=C(Nc2ccc(cn2)C(=O)N3CCOCC3C)C(=O)N(C)C=1	3628
+CC1(C)OB(OC1(C)C)C=2c3cc(-c4cnn(c4)C)ccc3C(N(C)C=2)=O	4379
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(OC)(OC)=O	632
+CC1(C)C(C)(C)OB(O1)c2cc(OC)c(c(c2)C=O)OCOCC[Si](C)(C)C	17
+CC1(C)C(C)(C)OB(O1)c2cc3ncn(c3cc2)COCC[Si](C)(C)C	1623
+CC1(C)OB(OC1(C)C)c2ccc3c(c(nn3COCC[Si](C)(C)C)C=O)c2	17
+CC1(C)OB(OC1(C)C)c2ccc(c(c2)Nc3scc(n3)-c4sc(C)nc4C)OC	17
+CC1(C)C(C)(C)OB(O1)c2c(cc(cc2C)C=CC#N)C	17
+CC1(C)C(C)(C)OB(O1)c2c3c(ccc2)c(c[nH]3)CCCOc4cc(C)c(c(C)c4)Cl	2919
+CC1(C)C(C)(C)OB(O1)c2cc3NCCOc3cc2C	17
+CC1(C)C(C)(C)OB(O1)c2c(ccc(-c3c(nccc3)C)c2)OC	17
+CC1(C)C(C)(C)OB(O1)c2cc(Cl)c(C)nc2	234
+CC1(C)C(C)(C)OB(O1)c2cc(Cl)c(O)c(F)c2	17
+CC1(C)OB(OC1(C)C)c2c(Cl)cc3c(CCC(=O)N3C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3cccc(Cl)c3[nH]2	4380
+CC1(C)OB(OC1(C)C)c2cc(Cl)c3N(C(CCc3c2)=O)C	17
+CC1(C)OB(OC1(C)C)c2cc(c(N)cc2)C#N	632
+CC1(C)OB(OC1(C)C)c2cc3c(nc(c4ccnc(O)c34)Nc5c(Cl)cc(cc5Cl)-c6ccn[nH]6)cc2	17
+CC1(C)OB(OC1(C)C)c2cc(Cl)cc(c2)O	17
+CC1(C)OB(OC1(C)C)c2cc(ccc2)N3C(=O)C=CC=C3	632
+CC1(C)C(C)(C)OB(O1)c2ccc(c3c2[nH]cc3)Cl	2919
+CC1(C)C(C)(C)OB(O1)c2ccc3c(ccc(Cl)c3)c2	17
+CC1(C)C(C)(C)OB(O1)C2=CCC3(CCCC3)CC2	4381
+CC1(C)C(C)(C)OB(O1)C=2CCC3(OCCO3)CC=2	4381
+CC1(C)C(C)(C)OB(O1)c2c(C)c(CC(=O)OC)cc3c2cc(cc3)Cl	425
+CC1(C)OB(OC1(C)C)c2c(ccc(c2C=O)F)OCC	425
+CC1(C)C(C)(C)OB(O1)c2c(c(ccc2C=O)F)OCCCOCc3ccccc3	425
+CC1(C)C(C)(C)OB(O1)c2c(OC)cc(cc2)-c3oc4c(n3)cccc4	425
+CC1(C)C(C)(C)OB(O1)c2c(cc(CC(OC)=O)cc2)F	425
+CC1(C)OB(OC1(C)C)c2cc(ccc2[N+]([O-])=O)F	425
+CC1(C)C(C)(C)OB(O1)c2c(c(cc3c2cc(cc3)F)CC(=O)OC)C	425
+CC1(C)OB(OC1(C)C)c2c(C=O)ccc(c2)OC3CCCC3	425
+CC1(C)C(C)(C)OB(O1)c2cc(cc(Cl)c2C=O)OC3OCCCC3	425
+CC1(C)C(C)(C)OB(O1)c2cc(OC(C3CC(=O)NC3)C)c4c(ncs4)c2	4382
+CC1(C)C(C)(C)OB(O1)c2cccc(c2)-c3c(C#N)scc3	425
+CC1(C)OB(OC1(C)C)c2cccc(-n3c4c(nc3)cc(cn4)-c5cocc5)c2	425
+CC1(C)OB(OC1(C)C)c2cc(ccc2C=O)-c3cc(C#N)ccc3	425
+CC1(C)C(C)(C)OB(O1)c2ccc3cccnc3c2	4382
+CC1(C)C(C)(C)OB(O1)c2ccc(Cl)c(NC(c3c(Cl)cc(cc3)Cl)C)c2	425
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(OC)=O	425
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(OCC)=O	425
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)C(CC)(CC)c3ccc(C=CC(CC)(CC)O)c(C)c3	425
+CC1(C)C(C)(C)OB(O1)c2cnc(OCC)c(C(F)(F)F)c2	234
+CC1(C)C(C)(C)OB(O1)c2cc(c(C3CC3)nc2)OC(F)(F)C	7959
+CC1(C)C(C)(C)OB(O1)c2ccc(OC(F)F)c(F)c2	17
+CC1(C)OB(OC1(C)C)c2cc(OC(F)F)c(cc2)Cl	17
+CC1(C)OB(OC1(C)C)C2=CN(C)C(C=3CCCCC2=3)=O	7960
+CC1(C)C(C)(C)OB(O1)C2=C(N3C(=O)NN=C3C=C2)C	7961
+CC1(C)OB(OC1(C)C)c2cc(C)c(N)c(c2)[N+](=O)[O-]	17
+CC1(C)C(C)(C)OB(O1)c2ccc(N)c(OC)c2F	17
+CC1(C)C(C)(C)OB(O1)c2c(N)ccc(C)c2	17
+CC1(C)C(C)(C)OB(O1)c2c(ccc(N)c2)Cl	372
+CC1(C)C(C)(C)OB(O1)c2cc(ncc2Cl)N	1809
+CC1(C)OB(OC1(C)C)c2cc(ccc2Cl)C(N(c3ccccc3CCCC(=O)OC)C)=O	17
+CC1(C)C(C)(C)OB(O1)c2cc(c(C(OC)=O)s2)OC(c3ccccc3Cl)C	7962
+CC1(C)C(C)(C)OB(O1)c2cc(C)cnc2OC	234
+CC1(C)C(C)(C)OB(O1)c2cc(F)c(OC)nc2	7963
+CC1(C)C(C)(C)OB(O1)c2cc(c(N)nc2)OC	234
+CC1(C)C(C)(C)OB(O1)c2cc(c(OCC(OCC)=O)cc2)OCC	17
+CC1(C)OB(OC1(C)C)c2cncc(C3COC(OC3)(C)C)c2	234
+CC1(C)C(C)(C)OB(O1)c2cc(c3c(CCCO3)c2C)Cl	17
+CC1(C)C(C)(C)OB(O1)c2c(C)c(ccc2)N3C(=O)c4c(c(Cl)ccc4)N(C3=O)C	17
+CC1(C)C(C)(C)OB(O1)c2c(c(ccc2)N3C(=O)c4ccccc4N(C)C3=O)C	17
+CC1(C)C(C)(C)OB(O1)c2cccc(N3C(c4c(NC3=O)c(Cl)ccc4)=O)c2C	17
+CC1(C)C(C)(C)OB(O1)c2c(C)c(N3C(=O)c4c(N(C)C3=O)c(ccc4)F)ccc2	17
+CC1(C)C(C)(C)OB(O1)c2c(cc(Oc3ccc(c(c3)C(=O)OC)C#N)cc2)C=O	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(c(-c4c(F)cc(cc4)F)oc3cc2N(S(=O)(=O)C)C)C(=O)NC	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2N(S(=O)(=O)C)C)oc(C4=CCCC4)c3C(=O)NC	17
+CC1(C)C(C)(C)OB(O1)c2c(N(S(=O)(=O)C)C)cc3oc(c(C(=O)NC)c3c2)C45C(CCC4)C5	17
+CC1(C)C(C)(C)OB(O1)c2cc(F)cc(c2)CNS(=O)(=O)C	17
+CC1(C)C(C)(C)OB(O1)c2ccc(OC)c(NS(=O)(=O)C)c2	17
+CC1(C)C(C)(C)OB(O1)c2ccc(S(=O)(=O)C)cc2F	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)C3CCOCC3	17
+CC1(C)OB(OC1(C)C)c2c(cc(cc2)S(=O)(=O)CC)OC	17
+CC1(C)OB(OC1(C)C)C=2C=CC(=O)N(CCS(=O)(=O)C)C=2	7964
+CC1(C)C(C)(C)OB(O1)c2ccc(CN(C)S(=O)(=O)C)cc2Cl	17
+CC1(C)OB(OC1(C)C)c2cc(N(S(=O)(=O)C)C)ccc2	17
+CC1(C)C(C)(C)OB(O1)c2cc3CC(NS(=O)(=O)C(C)C)Cc3cc2	372
+CC1(C)C(C)(C)OB(O1)c2ccc(OCCN(C)C)c(c2)NS(=O)(=O)C	17
+CC1(C)OB(OC1(C)C)c2cc(cc(OS(=O)(=O)C)c2)OC	632
+CC1(C)OB(OC1(C)C)c2cc(c(S(=O)(=O)C)cc2)F	17
+CC1(C)OB(OC1(C)C)c2cc(c(F)cc2S(=O)(=O)C)F	17
+CC1(C)OB(OC1(C)C)c2cc(cnc2)S(=O)(=O)Nc3c(cc(F)cc3)F	234
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2C)S(=O)(=O)NC	17
+CC1(C)OB(OC1(C)C)c2cncc(NS(=O)(=O)c3c(Cl)cc(cc3)Br)c2	234
+CC1(C)OB(OC1(C)C)c2cncc(NS(=O)(=O)c3ccccc3)c2	234
+CC1(C)OB(OC1(C)C)c2ccc(C3=CCS(=O)(=O)CC3)cc2C	17
+CC1(C)OB(OC1(C)C)c2cc3CS(=O)(=O)N(c3cc2)C	17
+CC1(C)OB(OC1(C)C)c2cc3c([nH]nc3F)cc2	17
+CC1(C)OB(OC1(C)C)c2c3ccccc3c(C(=O)O)cc2	17
+CC1(C)C(C)(C)OB(O1)c2cnc(c(c2)C)OC	234
+CC1(C)OB(OC1(C)C)c2cc(c(Br)cc2OC)C	4383
+CC1(C)OB(OC1(C)C)c2cc(C(N)=O)ccc2C	17
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(c(c2)C)C3=C(OC)CCC3=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3nc(C)cc(C)n3	632
+CC1(C)OB(OC1(C)C)c2c(F)cc3OCCCc3c2	17
+CC1(C)OB(OC1(C)C)c2cc(F)c(c(c2)F)-c3c(C(=O)c4ccc(cc4Cl)F)c(nn3C)C	17
+CC1(C)OB(OC1(C)C)c2cc(ccc2F)CCC(OC)=O	372
+CC1(C)C(C)(C)OB(O1)c2ccc(N3CC(OC3=O)CNC(=O)OC)cc2F	372
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2F)N3C(=O)OC(C3)Cn4ccnn4	372
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2F)[N+]([O-])=O	17
+CC1(C)OB(OC1(C)C)c2c(c(ccc2)[N+](=O)[O-])C	17
+CC1(C)OB(OC1(C)C)c2cccc(c2F)[N+](=O)[O-]	17
+CC1(C)C(C)(C)OB(O1)c2cc(F)c(c(c2)Cl)C=3C(CCC=3OC)=O	4383
+CC1(C)OB(OC1(C)C)c2cc(C)c(N)cc2	17
+CC1(C)C(C)(C)OB(O1)c2cccc(N3C(N(C)c4c(ccc(c4)OC)C3=O)=O)c2C	17
+CC1(C)C(C)(C)OB(O1)c2cccc(N3C(c4ccc(F)cc4N(C)C3=O)=O)c2C	17
+CC1(C)OB(OC1(C)C)c2cccc(NC(=O)Cc3c(cccn3)Cl)c2C	17
+CC1(C)C(C)(C)OB(O1)c2c(F)c(c(F)cc2)-c3c(C#N)cc(cc3)F	17
+CC1(C)OB(OC1(C)C)c2cc(c(O)c(Cl)c2C)C(=O)OC	17
+CC1(C)C(C)(C)OB(O1)c2cc3c([nH]2)c(OCC)ccc3	4380
+CC1(C)C(C)(C)OB(O1)c2ccc3c(CC(=O)N3C)c2Cl	17
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2F)C(OC)=O)OC	17
+CC1(C)C(C)(C)OB(O1)c2c(ccc(C=O)c2)C	17
+CC1(C)C(C)(C)OB(O1)c2c(Cl)c(cc(OC)c2)Cl	17
+CC1(C)C(C)(C)OB(O1)c2ccc(C3OCC(C(Br)C3)CC)cc2F	17
+CC1(C)OB(OC1(C)C)c2c(F)cc3-n4c(nnc4C)CCc3c2	17
+CC1(C)C(C)(C)OB(O1)c2c(F)cc3c(OC(N3C)=O)c2	17
+CC1(C)OB(OC1(C)C)c2c(F)cc3c(c2)CCC(=O)N3C	17
+CC1(C)C(C)(C)OB(O1)c2c(cc3c(cnn3C4OCCCC4)c2)F	17
+CC1(C)OB(OC1(C)C)c2cc(c[nH]2)C(OC)=O	7965
+CC1(C)OB(OC1(C)C)c2cc(-c3ccc(cc3C)C(OC)=O)ccc2CC	372
+CC1(C)OB(OC1(C)C)c2c(cc(-n3cccn3)cc2)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(CC)c3[nH]ccc23	1623
+CC1(C)OB(OC1(C)C)c2c(OC)cc(-n3nc(cc3)N)cc2	17
+CC1(C)OB(OC1(C)C)c2ccc(O)cc2OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(cccc3F)F	372
+CC1(C)OB(OC1(C)C)c2cc(OCCCCl)ccc2	17
+CC1(C)OB(OC1(C)C)c2c(nccc2C)OC	234
+CC1(C)OB(OC1(C)C)C=2C=C(Nc3ncc(C)s3)C(N(C=2)C)=O	1371
+CC1(C)OB(OC1(C)C)c2cc(F)c3c(CCC(=O)N3C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3cc([nH]c3nc2)-c4c(C)cncc4	234
+CC1(C)OB(OC1(C)C)c2ccc3ccn(C)c3c2F	1623
+CC1(C)C(C)(C)OB(O1)c2ccc(c(c2)Cc3c4c(ccc3)cccc4)OC	17
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2F)C(OC)=O	17
+CC1(C)OB(OC1(C)C)c2ccc3c(CC(N3C)C(OCC)=O)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)N(C(=O)C3)C	17
+CC1(C)OB(OC1(C)C)c2ccc3c(CCC(=O)N3C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(C(=O)NCC3)cc2	17
+CC1(C)C(C)(C)OB(O1)c2cc3CN(C(=O)c3cc2)C	17
+CC1(C)C(C)(C)OB(O1)c2ccc3c(CN(CC(C)O)C3=O)c2	17
+CC1(C)OB(OC1(C)C)c2cc3c(N(C)CCC3)cc2	17
+CC1(C)OB(OC1(C)C)c2cc3CCc4nnc(C)n4-c3cc2	17
+CC1(C)OB(OC1(C)C)c2cc3c(N(C(=O)Cc4cc(C)ccc4)CC3)cc2	17
+CC1(C)OB(OC1(C)C)c2cc3CCN(c3cc2)C(=O)Cc4cc(F)ccc4F	17
+CC1(C)C(C)(C)OB(O1)c2ccc3cc(C#N)ccc3c2	17
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(c(c2)C)N	17
+CC1(C)C(C)(C)OB(O1)c2ccc(CC(=O)OC)cc2C	17
+CC1(C)OB(OC1(C)C)c2cc(Cl)c(c(Cl)c2)O	17
+CC1(C)OB(OC1(C)C)c2cc(Cl)c(c(c2)Cl)C	372
+CC1(C)C(C)(C)OB(O1)c2c(c(N3C(=O)c4cc(cc(F)c4NC3=O)F)ccc2)C	17
+CC1(C)C(C)(C)OB(O1)c2c(OC)ccc(-c3cnc(cc3C)C(OC)=O)c2	372
+CC1(C)C(C)(C)OB(O1)c2cc(N)c(F)cc2C	17
+CC1(C)OB(OC1(C)C)c2cnc(c(Cc3ncccc3)c2)N	234
+CC1(C)C(C)(C)OB(O1)c2cc(F)cc(C#N)c2	17
+CC1(C)C(C)(C)OB(O1)c2ccc(c(C)c2)C#N	17
+CC1(C)C(C)(C)OB(O1)c2ccc(C(N)=O)c(c2)C	17
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(C(NC)=O)cc2	17
+CC1(C)OB(OC1(C)C)c2ccc(c(F)c2)C#N	17
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)C=O)[N+](=O)[O-]	17
+CC1(C)OB(OC1(C)C)c2ccc(Cl)c(c2)CNC(OC)=O	17
+CC1(C)C(C)(C)OB(O1)c2ccc(c(F)c2)C=O	17
+CC1(C)OB(OC1(C)C)c2ccc(c(OC)c2)CC(O)=O	17
+CC1(C)OB(OC1(C)C)c2cc(O)cc(C(=O)OC)c2	17
+CC1(C)OB(OC1(C)C)c2cc(C(=O)OC)cc([N+](=O)[O-])c2	372
+CC1(C)OB(OC1(C)C)c2cc(nc(C)c2)C(=O)Nc3scc(C)n3	1809
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)OCC(=O)N3C	17
+CC1(C)OB(OC1(C)C)c2cc3c(cc2)N(CCN3)C	17
+CC1(C)C(C)(C)OB(O1)c2ccc3c(N(C(O3)=O)C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)OC(=O)N3CCC	17
+CC1(C)OB(OC1(C)C)c2cc3C=CN(C(c3cc2)=O)C	17
+CC1(C)C(C)(C)OB(O1)c2cc3NCCCc3cc2	17
+CC1(C)OB(OC1(C)C)c2cc3C(CC(C)N(c3cc2)C(=O)C)Nc4ncc(C#N)cc4	17
+CC1(C)C(C)(C)OB(O1)c2ccc3nc(N)ncc3c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)c4c(nc3)[nH]nc4	17
+CC1(C)OB(OC1(C)C)c2cc3c(cc2)cc(C(=O)OCC)[nH]3	1623
+CC1(C)OB(OC1(C)C)c2ccc3c(c2)cc(C(=O)OCC)[nH]3	17
+CC1(C)C(C)(C)OB(O1)c2ccc3nc(NC)sc3c2	7966
+CC1(C)OB(OC1(C)C)c2cc(OCC(CN3CCc4c(C3)cccc4)O)ccc2	17
+CC1(C)OB(OC1(C)C)c2cc(c(nc2)N)-c3oc4c(cccc4)n3	234
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c4ccccc4n3-c5cc6c(oc7ccccc67)cc5)c2	17
+CC1(C)OB(OC1(C)C)c2c(cc(Oc3c4c(ccn3)occ4)cc2)C	17
+CC1(C)OB(OC1(C)C)c2cnc(cc2)-c3nn(nn3)C	234
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2Cl)CN(C)C(=O)C	17
+CC1(C)OB(OC1(C)C)c2cc(CC#N)ccc2OC	17
+CC1(C)OB(OC1(C)C)c2ccc(OCCCC(=O)OCC)c(OC)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc(c(OCc3c(cccc3N4N=NN(C)C4=O)OC)cc2)C	17
+CC1(C)C(C)(C)OB(O1)c2c(C)c(C=O)c(cc2)OC	17
+CC1(C)OB(OC1(C)C)c2c(ccc(CC(OC)=O)c2)OC	17
+CC1(C)OB(OC1(C)C)c2c(ccc(CC(=O)OCC)c2)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3CCC(c4ccccc4)(CC3=O)CC(C)(C)O	17
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c2)OC(=CC3)c4ccccc4	17
+c1cc(ccc1)CN(Cc2ccccc2)C3Cc4c(cccc4B5OC(C)(C)C(C)(C)O5)OC3	425
+CC1(C)C(C)(C)OB(O1)c2cc(OCc3ccccc3)cc(Nc4cnccc4)c2	17
+CC1(C)OB(OC1(C)C)c2cc(ccc2C=O)Oc3cccc(c3)OCc4ccccc4	17
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)OC)Cc3ccccc3	17
+CC1(C)OB(OC1(C)C)c2ccc(Oc3ccccc3)cc2C	17
+CC1(C)OB(OC1(C)C)c2c3c(n(S(=O)(=O)c4ccccc4)c2)ncc(c3)-c5cn(C)nc5	7967
+CC1(C)C(C)(C)OB(O1)c2cn(nc2-c3ccc(cc3)[N+](=O)[O-])CC	2611
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)-c3c(NC(=O)OC(C)c4c(cccc4)Cl)c(no3)C	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(C(=O)NC)c(-c4ccc(cc4)C#N)oc3cc2N(S(=O)(=O)C)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3nc(C4N(C(C(C(C)C)Nc5sccn5)=O)CCC4)[nH]c3	17
+CC1(C)C(C)(C)OB(O1)c2ccc3CCC(Oc3c2)c4ccc(cc4)-c5cc(ccc5F)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)-n4cccn4	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)C4(CC4)CC(OCC)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3[nH]c(nc3)C4CC(C)CN4C(=O)C(NC(=O)OC)C(C)C	17
+c1cc(ccc1-c2[nH]c3c(cc(S(=O)(=O)C)cc3)n2)B(O)O	2920
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3nnc(NC)o3	17
+c1cc(ccc1-c2oc3cc(N(S(=O)(=O)C)c4cc(F)c(c(F)c4)B(O)O)c(C5CC5)cc3c2C(NC)=O)F	2920
+c1cc(ccc1-c2oc3cc(c(cc3c2C(NC)=O)C4CC4)N(S(=O)(=O)C)c5ccc(B(O)O)c(C(F)F)c5)F	2920
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3sccc3C#N	17
+c1cc(ccc1-n2ncc3c2nccc3B(O)O)F	4384
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3csc(Nc4cccc(C)n4)n3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ncoc3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-n3c4ncncc4cn3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-n3nnnc3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C(=O)OCC)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C(N)=O)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(N3CCC(OC3=O)(C(C)C)CCCO)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C34CCC(CC3)(OC4)CC(=O)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(=O)NC3CC3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Cc3c(nc4c(F)ccc(c4c3OC(F)F)OCC(=O)OC)CC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3C(C(C)(C)OC3=O)c4ccccc4	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)OC3C(C(OCC)C(C(O3)C)OC)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=O)N(CCN(C)C)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCC3CC(C3)OC4OCCCC4	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCc3cnc(OC)cc3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3nc4N(C)C(N(C(c4n3Cc5cccc(OC)c5)=O)C)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)c3ccc(N)nc3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)(C)O	17
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)C(Nc3sc4CCCCc4n3)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CC3)C(OCC)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C=3NOC(=O)N=3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(C(=O)OC)NC(C)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(OCC)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCC#N	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3cc(NC(=O)C4CCCN4C(=O)C(NC(=O)OC)C(C)C)ccc3	632
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3cnn(c3)C	632
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)F	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3C(CCCC3)OC(=O)C	372
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(Cl)ccc(c3)F	372
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)N3CCC(F)C3	372
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)NC(Nc3ccc(C(N(C)C)=O)c(c3)F)=O	17
+CC1(C)C(C)(C)OB(O1)c2cnc(OCc3ccc(cc3)OC)c(OCC)c2	234
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(ccc(F)c3)F	372
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(C)(C)=O	17
+CC1(C)C(C)(C)OB(O1)c2ccc3c(cnn3S(=O)(=O)c4ccc(cc4)C)c2	17
+CC1(C)OB(OC1(C)C)c2cnc(CCC#N)cc2	234
+CC1(C)OB(OC1(C)C)c2ccc(N3C(OCC3)=O)nc2	234
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c(C(=O)N4Cc5ccccc5C4)nc(N)n3)c2	372
+CC1(C)OB(OC1(C)C)c2cc(-c3sc4c(cccc4)n3)c(N)nc2	234
+CC1(C)OB(OC1(C)C)C2=CN(C(=O)c3ccccc23)C	4379
+CC1(C)OB(OC1(C)C)c2ccnc(NC(C)c3ccccc3)c2	1809
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3CCC(c4ccccc4)(OC3=O)CC(C)(C)O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3CCC(c4ccccc4)(CCc5nnc(C)o5)OC3=O	17
+CC1(C)C(C)(C)OB(O1)c2ccc(c(C(=O)NCc3ccccc3)c2)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(C(OCc3ccccc3)=O)cc2OC	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)CC(NC(OCc4ccccc4)=O)CC3	17
+CC1(C)C(C)(C)OB(O1)c2ccc3nccc(c3c2)OCc4ccccc4	17
+CC1(C)OB(OC1(C)C)c2cc(OC)c(c(OC)c2)Cc3ccccc3	17
+CC1(C)OB(OC1(C)C)c2cc(Cc3ccccc3)c(O)cc2	17
+CC1(C)C(C)(C)OB(O1)C2=CN(C)C(c3n(Cc4ccccc4)c(cc23)C(=O)OCC)=O	7968
+OB(O)c1ccnc2n(ncc12)-c3ccc(F)cc3Cl	4384
+CC1(C)OB(OC1(C)C)c2cc3c(ccnc3cc2)-c4ccncc4	17
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2)-c3ncccn3	632
+CC1(C)C(C)(C)OB(O1)c2cc(-c3ncc(cn3)OCC)ccc2	632
+OB(O)c1cnc(NC(=O)NCC)cc1-c2nc(cs2)-c3cnn(C)c3	2028
+CC1(C)OB(OC1(C)C)c2c(ccc(-c3cn(nc3)C)c2)Cl	17
+CC1(C)OB(OC1(C)C)c2cc([N+]([O-])=O)c(-c3c(C(=O)OCC)cnn3C4COCC4)cc2	17
+CC1(C)OB(OC1(C)C)c2ccc(c(F)c2)-c3n(C4CCOC4)ncc3C(=O)OCC	17
+CC1(C)C(C)(C)OB(O1)c2cc(cc3c2n4c(C(=O)NCC4)c3C)F	2919
+CC1(C)OB(OC1(C)C)c2cc(cnc2)-c3ocnc3	234
+CC1(C)C(C)(C)OB(O1)c2cncc(CC(OC)=O)c2	234
+CC1(C)C(C)(C)OB(O1)c2cc(-c3ncc(cn3)OCCOC)ccc2	632
+CC1(C)OB(OC1(C)C)c2ccc(c(F)c2)-c3cnc(nc3)N	632
+CC1(C)C(C)(C)OB(O1)c2cnc(nc2)N3C(C)CCC3	7969
+CC1(C)OB(OC1(C)C)c2cc(cc(Nc3nccc(C)n3)c2)C	17
+CC1(C)C(C)(C)OB(O1)c2cc(-c3ncccn3)c(c(c2)[N+]([O-])=O)N	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-n3nccn3	17
+CC1(C)C(C)(C)OB(O1)C=2C=C(Nc3nn4c(c3)COCC4)C(=O)N(C)C=2	1371
+CC1(C)CC(C)(C)CC(=C1)c2c(cccc2[N+]([O-])=O)C	563
+CC1(C)C=C(CC(C)(C)C1)c2c([N+](=O)[O-])cccc2F	7970
+C1CCCC12CC=C(c3onc(C(=O)OCC)c3C)CC2	7971
+CC(C)(C)OC(=O)N1CCCC(c2cc(c(N)nc2)-c3n(-c4c(c(F)ccc4)F)nnn3)=CC1	1076
+FC(F)(F)c1cc(ccc1)Nc2c3ccc(C)c(C4=Cc5c(N(C)C4=O)nc(NC)nc5)c3ccn2	7972
+CC1(C)Cc2c(n3CCN(c4nccc(C5=CN(C(C(=C5)Nc6cc7n(CCOC7)n6)=O)C)c4C=O)C(=O)c3c2)C1	2870
+CC1(C)CCC(=CC1)c2cc(CCS(=O)(=O)N(C)C)ccc2N	563
+CC1(C)CCC(c2cc(C(=O)C)ccc2N)=CC1	563
+C1COC2(O1)CC=C(CC2)c3c(ccc(n3)C(O)=O)F	4376
+FC(F)(F)COc1ncc(cc1C2=CCCCC2)C(=O)OC	1076
+FC(F)(F)COc1c(cc(cn1)C(=O)Nc2cnccc2)C3=CCCCC3	7973
+c1c(cc(C=2CCCCC=2)c(N)c1)Br	4385
+c1cc(ccc1)-c2c(sc(n2)-c3c(nc4n3cc(cc4)C=5CCCCC=5)C)C(=O)OCC	1076
+c1c(c(c(cc1C(=O)OC)C=CCOC)C)Br	7974
+CC1(C)C(C)(C)OB(O1)CCCCC(NC(=O)C)(C2CCN(CC2)Cc3ccccc3)C(NC(C)(C)C)=O	48
+CC1(C)C(C)(C)OB(O1)CCCCC(C(NC(C)(C)C)=O)(NC(=O)C)C2CCNCC2	62
+CC1(C)C(C)(C)OB(O1)c2c(C)n(nc2)CC3COC(C)(C)O3	4386
+CC1(C)OB(OC1(C)C)c2cn(CC(F)(F)COCc3ccccc3)nc2	4386
+CC1(C)OB(OC1(C)C)c2cnc(OCCCN(C)C)cc2	3869
+CC1(C)C(C)(C)OB(O1)c2ccc(CCCN(C)C)c(Cl)c2C	585
+CC1(C)OB(OC1(C)C)c2cc(CCN(C)C)c(cc2)OC	585
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)[Si](C)(C)C)F	585
+CC1(C)C(C)(C)OB(O1)c2c(cccc2C)C	585
+CC1(C)OB(OC1(C)C)c2n(C)ncc2C	4387
+CC1(C)OB(OC1(C)C)c2c(C)nn(c2)-c3cncc(F)c3	7975
+CC1(C)OB(OC1(C)C)c2c(F)c(Cl)ccc2C(F)F	1327
+CC1(C)C(C)(C)OB(O1)c2c(F)cc(cc2F)OC3CCOCC3	1327
+CC1(C)OB(OC1(C)C)c2c(F)cc(cc2F)-c3c(C)onc3C	1327
+CC1(C)OB(OC1(C)C)c2ccnn2-c3ccc(cc3)C#N	4387
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)CCCCCCCC	7976
+CC1(C)OB(c2cc(ccc12)C)O	7977
+c1c(c(C=O)c(c(c1)-c2ccnc(Cl)n2)C)OC	379
+c1cc(ccc1-c2c(c(cc3ccc(Cl)cc23)CC(OC)=O)C)Sc4c(Cl)cccc4	99
+c1cc(ccc1-c2c(C)ccs2)F	7978
+c1(C(Nc2nc(c(-c3c(c(Cl)cc(OC)c3)Cl)nc2)N)=O)ccnn1C	1728
+c1cc(ccc1-c2c(Cl)cc3c(CC(=O)N3)c2)Cc4c(cccc4)OC	99
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)Oc3ccccc3	1191
+c1(cc(cc(F)c1-c2c(ccc(C(OC)=O)n2)F)N3CCOCC3)F	245
+c1(F)cc(cc(F)c1-c2c(F)ccc(C(OC)=O)n2)OC3CCOCC3	245
+O=S(=O)(N(C)c1c(cc2c(oc(C34C(CCC3)C4)c2C(NC)=O)c1)-c5nc-6c(cc5)OCn7c8cccc(F)c8cc-67)C	362
+CC(C)(C)[Si](C)(C)OCc1cc2nc(c3ncc(C#Cc4ccc(cc4C)OC)cc3c2cc1)N	7979
+Nc1c(cc(C)cc1)-c2ncnc(OC)c2	379
+FC(F)Oc1cc(F)ccc1-c2nc(ncn2)Nc3cccc(CS(=O)(=O)C)c3	2079
+O=S(=O)(C)N1CC(N(Cc2oc3C(c4ccncc4OCCOC)=CN(C(=O)c3c2)C)CC1)C	2710
+FC(F)(F)c1ccccc1Sc2ccc(cc2)-c3c(c(cc4ccc(cc34)F)CC(OC)=O)C	99
+O=S(=O)(C)c1cnc(cc1)-c2c(C)c(CC(=O)OC)cc3ccc(cc23)F	245
+c1ccccc1COCCCOc2c(ccc3c2B(OC3C[N+]([O-])=O)O)F	4388
+CC1(C)C(C)(C)OB(O1)c2ccc(CC(O)=O)cc2F	4
+CC1(C)C(C)(C)OB(O1)c2c(N)cc(CO[Si](C)(C)C(C)(C)C)cc2	78
+CC(C)(C)[Si](C)(C)OCc1cc2nc(c3ncc(C#Cc4ccc(cc4C)OC)cc3c2cc1)N	7980
+N#Cc1ccc(Oc2ccc3B(O)OCc3c2)cc1C(OC)=O	2191
+Fc1cc(cc(F)c1-c2c(F)ccc(C(OC)=O)n2)C3(CCC3)O	245
+C1CC(CCO1)c2cc(F)c(c(F)c2)-c3nc(C(OC)=O)ccc3F	245
+CN(C)Cc1cc(-c2cc3c(cc2F)n(nc3)C4OCCCC4)cnc1	156
+c1(C=O)cc(c(C)cc1)-c2ccnc(Cl)n2	379
+CC1(C)OB(OC1(C)C)c2c(ccc(c2)NC(=O)c3c(cc(S(=O)(=O)C)cc3)Cl)Cl	67
+NC(=O)c1c(c2ccc(-c3c(C)nn(C)c3C)cc2nc1)Nc4cccc(c4)C(=O)OCC	7981
+FC(F)(F)c1[nH]c2c(-c3c(C)nn(C)c3C)cccc2c1CCCOc4cc(C)c(c(c4)C)Cl	7982
+Cc1noc(C)c1-c2ccc3C(C=C(C)N(c4ccc(cc4F)F)c3c2)=O	7983
+c1c(C)c(c(cc1OCCNS(=O)(=O)C)C)-c2c3CCC(c3c(cc2)F)Oc4ccc5c(c4)OCC5CC(OC)=O	99
+c1cc2C(CCc2c(c1)-c3c([N+]([O-])=O)cccc3)=O	4389
+O=S(=O)(N1CCN(CC1)Cc2sc3c(c(N4CCOCC4)nc(-c5c6c[nH]nc6ccc5)n3)c2)C	7984
+Cc1cc(cc(C)c1Cl)OCCCc2c[nH]c3c(cccc23)-c4c(n(C)nc4CO)C	7985
+CC1(C)C(C)(C)OB(O1)c2c3c(cccc3)ccc2CNc4c(C)cc(cc4C)C	608
+CC1(C)C(C)(C)OB(O1)c2c(CNc3ccccc3)ccc4ccccc24	608
+FC(F)(F)c1nc2nccc(-c3cc(F)cc(-c4ccccc4C#N)c3)c2cc1	4390
+n1cc(cnc1-c2cccc(c2)CC3=NN(C=CC3=O)c4cn(C)nc4)OCC	4391
+n1cc(cnc1-c2cccc(c2)CC3=NN(C=CC3=O)c4cn(C)nc4)OCCOC	4391
+O=S(=O)(C)N(C)c1c(-c2cc(-c3nc4ccccc4s3)ccc2)cc5c(c1)oc(-c6ccc(cc6)F)c5C(NC)=O	99
+c1(c(ncc(c1)-c2n3nc(-c4ccc(OC)c(OC)c4)sc3nc2)N)C#N	2921
+FC(F)(F)C(=C)c1cc(C)c(c(c1)C)N	2192
+c1c(C)c(c(cc1-c2nnc(OC)c(C(C)=O)c2)C)O	746
+CC(C)Cn1c2c(c(cc(-c3ccc(-c4cccc(n4)C)cn3)c2)C)c5ccccc15	4114
+CC(C)(C)OC(=O)Nc1cc(C)cc(-c2ccncc2[N+](=O)[O-])c1	7986
+CC1CN(CC(C)O1)c2c(c(F)c(cc2C=O)-c3cnc(Br)cn3)F	7987
+CC1CN(CC(C)O1)c2c(cc(c(F)c2F)-c3cnc(N)cn3)C=O	1368
+CC1(C)CC(c2c3c([nH]c2)c(C(=O)N)cc(-c4csc(C=O)c4)c3)CCS1(=O)=O	4392
+C1N(CC1)Cc2cc(-c3cc(c4[nH]cc(C5CCS(=O)(=O)C5)c4c3)C(=O)N)cs2	4392
+FC(F)(F)C(C)OCc1cc(cc(c1)-c2cc(nn2-c3ccc(cc3)F)N)Cl	1016
+c1c(Cl)nc(cc1-c2cnc3n2ccc(Cl)c3)Cl	7988
+c1cc(ccc1-c2cc(F)c(c(Cl)c2)C=3C(CCC=3OC)=O)Cl	99
+CN(C)CCNc1cc(cc(-c2cncc(N)c2[N+]([O-])=O)c1)F	156
+O=S(=O)(C)NCc1cc(F)cc(c1)-c2c([N+]([O-])=O)c(ccn2)N	362
+CC1(C)C(C)(C)OB(O1)c2c(cc(F)c(NC(=O)OC(C)=C)c2)C	2922
+Nc1c(cc(C)c(-c2cc3c(nc2)cc(nc3)Cl)c1)F	156
+CN(C)S(=O)(=O)c1c(cc(cc1)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C)C(O)=O	99
+c1ccccc1COC(N2CCCC2c3ccc(cc3)-c4cc(NC(C5CC5)=O)ccc4)=O	99
+C1CC1NC(=O)Nc2ccc(C)c(C3=Cc4cnn(-c5c(F)cccc5F)c4N(C3=O)C)c2	7989
+CC(C)(C)CCNC(Nc1c(F)cc(C)c(-c2cc3cnc(SC)nc3nc2C)c1)=O	7990
+O=S(=O)(c1cccc(-c2ccc(c3[nH]c(C)c(c23)C)C(N)=O)c1)C=C	492
+O=S(=O)(NC1CCC(CC1)O)c2c(ccc(-c3cnc(N)nc3C)c2)Cl	1207
+Nc1c([N+]([O-])=O)cc(-c2cc(F)c(cc2)[N+](=O)[O-])cc1	99
+C1CC1c2c(OC(F)(F)C)cc(cn2)O	4393
+C[Si](C)(C)CCOCn1c(Br)c(-c2cc(OC)c(N)nc2)nc1N3CCNCC3	2923
+FC(F)(F)Oc1cnc(cc1)-c2ccc(C(O)(C(C)(C)C)c3cncnc3)c(C)c2	245
+O=Cc1ccc(cc1[N+]([O-])=O)-c2ncccc2	245
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)F)NC(c3sc4c(C(=O)C(C)(C)C4)c3)=O	2810
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)c3cc4c(CC(C)(C)C4O)s3)c(cc2)F	7991
+CC(C)(C)OC(Nc1cc(C=2CCCC=2)ccc1[N+](=O)[O-])=O	2924
+O1CCOC12CCC(=CC2)c3cc(c(cc3C)[N+]([O-])=O)OC(C)C	2924
+C1CC(CCN1c2c(C#N)cc(cn2)-c3cc(F)c(N4C=NN(CCC)C4=O)cc3)c5nc(on5)C(C)C	391
+C1OC(CCC1)Oc2cc(Cl)c3c(B(OC3CC(OCC)=O)O)c2	7992
+C1CCCN1CCNc2cc(cc(-c3ccc4c(c(ncn4)N)n3)c2)F	1592
+C1CCCC1n2c3ccnc(c3c(-c4cc(CC#N)ccc4)n2)OC	2925
+C(=C(C(=O)O)OC)c1cc(c(cc1)-c2cc(ccc2)N(C(=O)NCCCCCCC)C)OCCCC	1049
+FC(F)(F)c1cc(NC(=O)c2cc(c(C)c(I)c2)-c3cccc(c3)[N+]([O-])=O)ccc1	4394
+n1cccc(C#N)c1-c2c(F)ccc([N+]([O-])=O)c2	362
+C(#N)c1ccccc1-c2c(ccc([N+]([O-])=O)c2)F	99
+c1cc(ccn1)C2(N=C(c3c(F)cccc23)N)c4ccc(F)c(c4)-c5cncc(C#N)c5	7993
+c12cnc(-c3cncc(OC)c3)cc1c4c([nH]2)ncc(c4)F	2926
+n1cc(cc(OC)c1)-c2nn3c(s2)ncc3I	7994
+c1cc(ccc1)CN2CCOC(COc3ccc(cc3)-c4ccnc(C)c4)C2	1802
+c1cc(ccc1C=2C(C(C(Nc3ccc(cc3)-c4c(ncc(-c5cc(C)ncc5)c4)N)=O)=CN(CCF)C=2)=O)F	1420
+c1ccccc1-c2nc(c(c(-c3cc4NC(=O)Nc4cc3)n2)C(C(=O)OC)CCC)C	379
+c1ccccc1OCCOc2c(C(OC)=O)nc(cc2)-c3cc4c(CCCN4)cc3	245
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)C(=O)N(CC3)C	497
+c12c([N+]([O-])=O)ccnc1n(cc2-c3ccc4c(N(CC4)C)c3)C	4167
+c1cc(ccc1F)-c2c(c3cc(-c4nc5c(oc(n5)Cc6ccc(cc6)F)cc4)c(cc3o2)N(S(=O)(=O)C)C)C(NC)=O	245
+c1cc(ccc1-c2oc3cc(c(cc3c2C(NC)=O)-c4cn5ccnc5cc4)N(S(=O)(=O)C)C)F	156
+FC(F)Oc1c(c(OCC(=O)NCCC)c(-c2cc3c(cc2)C(=O)NC3)cc1)OC	99
+C1CN(CCO1)c2c(nc3c(cc(-c4c(cccc4C)C(c5nccnc5)O)cc3)c2)N	99
+O=S(=O)(C)N(C)c1c(-c2nc-3c(cc2)OCn4c5ccccc5cc-34)cc6c(oc(C=7CCCC=7)c6C(=O)NC)c1	362
+C1CN(CCC1Cn2ccc3cc(ccc23)-c4c(C)n(C5CCCCO5)nc4)C(CCc6ccccc6)=O	1122
+c1cncc(c1-c2[nH]c3c(cc(cn3)-c4cc(-c5nccnc5)nn4CC)c2)C	2927
+CC1(C)C(C)(C)OB(O1)c2cc3c([nH]2)c(OCC)ccc3	7995
+C[Si](C)(C)CCOCn1c2ccc(cc2nc1)-c3nc(CS(=O)(=O)C)cc(N4CCOCC4)n3	4395
+FC(F)(F)c1cc(c(-c2cc(Br)cnc2OC)cc1)C=O	156
+CC1(C)C(C)(C)OB(O1)c2ccc(C3OCC(CC)CC3)cc2F	7996
+FC(F)(F)c1c(c(c(COc2cnc(cc2)-c3ccc(cc3C)CC(=O)OC)cc1)C(OC(C)(C)C)=O)O	362
+O=S(=O)(N(Cc1cc(Cl)c(cc1)-c2ccc(cc2)N3C(c4c(OCC3)ncnc4N)=O)C)C	99
+CC(C)Cn1c(cc(C(OCC)=O)n1)-c2ccc(cc2)-c3ccc(c(S(=O)(=O)C)c3)CO	99
+CC1(C)C(C)(C)OB(O1)c2c(F)cc(NC(=O)Oc3ccccc3)cc2	90
+c1(N2CC(CNC(OC)=O)OC2=O)ccc(-c3cnc(-c4nnnn4C)cc3)c(F)c1	156
+FC(F)(F)c1c(ccc(-c2ncc(cn2)-c3cccc(C=O)c3CC)c1)OC(C)C	261
+FC(F)(F)c1cc(ccc1OCCC2CCN(CC2)C(=O)OC(C)(C)C)-c3cc(c(c(n3)C#N)N)NC	362
+CC1(C)C(C)(C)OB(O1)c2ccc(c(c2)C(F)(F)F)OCCCO	168
+FC(F)(F)c1cc(ccc1OCc2cnccc2)-c3cc(c(c(n3)C#N)N)NC	362
+n1cc(cnc1-c2cc(C#N)c(cc2)CC(C)C)Br	2520
+c1cc(ccc1)CNC(=O)c2cc(C=3c4c(C(N(C=3)C)=O)cccc4)ccc2OC	4396
+FC(F)(F)c1c(ccc(c1)-c2cc(c(c(n2)C#N)N)NC)OCOCCOC	362
+CC(C)(C)OC(=O)c1c(F)ccc(-c2c(CC(=O)OC)cc3oc(-c4ccc(cc4)F)c(C(=O)NC)c3c2)c1	1049
+n1cc(cnc1N2CCOC(Cn3c4nc(-c5cn(C)nc5)cnc4nn3)C2)-c6ccc(C=O)c(F)c6	1207
+c1cc(ccc1)COCn2c(C=O)c(c(Cc3c(cccc3)F)c2-c4ccc(OC(F)F)c(OC5CC5)c4)C(=O)OCC	3955
+C[Si](C)(C)CCOCn1c2cnnc(c2c(Cl)c1-c3cc(c(cc3)OC)OC4CCC4)O	7997
+FC(F)(F)c1c(ccc(c1)-c2cc(c(c(n2)C#N)N)NC)OCCCO	362
+CC(C)Cc1cc(ccc1-c2ccc(c(CC(C)C)c2)-c3ccc(OC)c(Cc4cccc5c4cccc5)c3)CCC#N	1049
+CC(C)Cc1c(-c2cc(c(OC)cc2)Cc3cccc4c3cccc4)ccc(CCC#N)c1	1049
+c1cc(ccc1-c2ccc(cc2)C(O)=O)-c3onc(C)c3NC(OC(C)c4c(Cl)cccc4)=O	99
+c1cc(ccc1-c2c(cc3[nH]cc(C(OC)=O)c3c2)Br)-c4c(O)cccc4	756
+c1cc(ccc1-c2cc3c(C=O)c[nH]c3cc2F)-c4c(O)cccc4	99
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)-c3cnc(N)c(-c4nc5c(ccnc5)o4)n3)=O	1368
+c1cc(ccc1-c2nc(C3CCCN3C(=O)OCc4ccccc4)n5ccnc(c25)N)C(=O)Nc6sc7CCCCc7n6	1729
+c1cc(ccc1-c2c(F)c(F)c(c(F)c2F)N)CCCCCCCC	99
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)COc3cc4c(cc3)C(c5c(C(O)=O)cccc5)=C6C(=CC(C=C6)=O)O4	1
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)NCc3cnccc3	7998
+c1cc(ccc1-c2c(N)ncc(c2)Br)N	1642
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NS(=O)(=O)c3cccc(c3Cl)Cl	69
+c1cc(ccc1N)-c2cc([N+](=O)[O-])c3ccccc3n2	7999
+c1cc(ccc1-c2nc(c3c(CN(C)C3)n2)N4CCOCC4C)N	261
+c1cc(ccc1-c2cccc3c(nccc23)Nc4ccc5c(cccn5)c4)N	99
+c1cc(ccc1-c2c(C#N)c(cnc2)Cl)N	4397
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(C3=C(N(CC(C)(C)O)N(c4ccccc4)C3=O)C)=O	1349
+c1cc(ccc1N)-c2n3c(nc2)cnc(C(=O)N(C)c4ccc(cc4)C#N)c3	2193
+c1cc(ccc1-c2nc(N3C(C)COCC3)c4c(n(nn4)CC)n2)N	261
+c1cc(ccc1B(O)O)S(=O)(=O)Nc2c(F)cc(c(F)c2)C(OC)=O	1050
+O=Cc1c(cc(-c2ccc(cc2C)O)cc1)OCCCC	99
+c1cc(ccc1-c2ccc(CN(C)C(=O)C)cc2Cl)N3C(c4c(OCC3)ncnc4N)=O	99
+c1c(-c2ccc(cc2F)OC)c(F)cc(c1)C(=O)OC	99
+n1c(ccc(c1)-c2cc3c(nc(o3)C)cc2C)N	4398
+c1(Cl)cc2c(cc1-c3cnc(cc3)N)ocn2	4398
+FC(F)(F)c1ccc(cc1)-c2nc(-n3cc(-c4ccc(nc4)N)nc3C)nc(c2)C	2923
+FC(F)(F)c1ccc(-c2cc(nc(-n3cc(-c4cnc(N)cc4)nc3)n2)C)cn1	8000
+n1nc(-c2cnc(cc2)N)ccc1	1633
+O=S(=O)(c1ccc(-c2oc(C)cc2)c(F)c1)Nc3cc([N+](=O)[O-])ccc3	4399
+O=S(=O)(c1ccc(-c2ccc(C)o2)cc1Cl)Nc3cc(N)ccc3OC	4399
+C(CC1(C(=O)c2ccc(cc2CC1)-c3ccc([N+]([O-])=O)cn3)C)(OCC)=O	245
+c1cc(ccc1F)-c2n(nc(C)c2-c3ccc4c(NC(=O)CO4)c3Cl)C	1122
+O(C)c1c(F)c(c(F)c(OC)c1)-c2nc3n[nH]c(c3cn2)-c4ccc5C(=O)N(CC(C)O)Cc5c4	918
+c12c(N(C(=O)O1)C)cc(cc2)-c3cnccc3C(C)O	156
+c1ccc2CN(Cc2c1)C(c3nc(nc4c3cc(-c5c(C=O)cc(F)cc5)cc4)N)=O	99
+OB(O)c1cc2ccc(Cl)cc2cc1	1050
+O=S(=O)(C)Cc1cc(N2CCOCC2)nc(-c3cc4cnn(c4cc3)S(=O)(=O)c5ccc(cc5)C)n1	261
+C1CC1C(NS(=O)(=O)CC)c2cc(-c3cc4ccc(cc4cc3)C#N)cnc2	156
+c1cc(ccc1)-c2ccc3ccc(cc3n2)-c4c5c(ncnc5N)n(-c6ccccc6)c4	3874
+C1CC1N2C(=O)COC3(CCN(CC3)C(C)c4ccc(cc4)-c5ccc6cccnc6c5)C2	803
+FC(F)(F)c1cccc(C(=O)Nc2c(C)c(c(cc2C)C)-c3cc4c(nc(N)nc4)cc3)c1	99
+O=S(=O)(c1c(cccc1C)Cl)Nc2c(Cl)ncc(c2)-c3ccc4nc(sc4c3)NC	8001
+FC(F)(F)c1cccc(Oc2nccc3c(-c4ccc5nc(NC)ncc5c4)c(ccc23)C)c1	756
+CC(C)(c1cc(-c2c3c([nH]nc3)ncc2)ccc1)C#N	8002
+CC(C)(C)OC(=O)c1ccc(cc1)NC(=O)c2cc(ccc2)-c3cn4ncnc4c(Br)c3	1642
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2cnc3n2ncc(-c4cccc(c4)C(=O)OC)c3	8003
+C(c1c(ccs1)-c2cc(ccc2)-c3cnc4n3ccc(C=O)c4)#N	2193
+COc1cc(cc(OC)c1)-c2cccc(C(OCC)=O)c2	99
+c12ccc(cc1[nH]c3c(ccc(-c4c(c(N5C(=O)C=C6N(C=CC=C6Cl)C5=O)ccc4)C)c23)C(=O)N)COC	492
+c1cc(ccc1S(=O)(=O)n2cc(c3c(cccc23)-c4nc(OC)c5c(n4)CCN(Cc6ccccc6)C5)C)C	4395
+FC(F)(F)c1ccc(cc1)-c2nc(nc(c2)C)-n3cc(nc3)-c4cccnc4	2923
+c1cc(ccc1CNc2c(cc(cn2)-c3cnccc3)-c4ncsc4-c5c(c(ccc5)Cl)Cl)OC	907
+n1cc(cnc1N2CCCC(Cn3nnc4ncc(nc34)-c5cn(C)nc5)C2)-c6ccn(CCOC7OCCCC7)n6	8004
+N1(C)C=C(c2ccnc(c2COC(=O)C)N3C(c4n(c5CCCCc5c4)CC3)=O)C=C(C1=O)Nc6nn7CCOCc7c6	8005
+c1cnccc1-c2c(-c3occn3)nc(c([N+](=O)[O-])c2)N	1420
+c1cnccc1-c2cn(nc2-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F)CCOC5OCCCC5	8006
+c1cc(ccn1)-c2cc(c(nc2-c3cc(F)ccc3)N)[N+](=O)[O-]	1420
+c1cnccc1-c2cc(cc(F)c2)Br	1802
+c1cc(ccc1Cl)-c2c(-c3ccncc3)c(Cl)ncc2	1420
+FC(F)(C(F)(F)Cl)c1ccc(cc1)NC(c2cc(-c3n(C4OCCCC4)ncc3)c(nc2)N5CCC(C5)O)=O	2928
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc(c(nc2)OCCOC)-c3n(C4OCCCC4)ncc3	2928
+CC(C)n1ncc(c1)-c2cc(Oc3ccc(N)c(c3)F)ccn2	1396
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc(-c3ccc(nc3)-c4cccc(N)c4)c2	1029
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3cc(c(nc3)N)-c4nc5c(c(ccc5)C(=O)OC)o4)cn2	1029
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc(-c3nc(OC(C4CNC(=O)C4)C)c5c(nn(c5)C)c3)c2	1675
+C[Si](C)(C)CCOCn1c2ncc(nc2c(c1)C=O)-c3cnn(CC)c3	8007
+c1cc(ccc1[N+](=O)[O-])-c2c(cn(CC)n2)-c3cc(nc4c3cc[nH]4)Cl	4400
+c1cc(ccc1-c2nn(CC)cc2-c3c4cc[nH]c4ncc3)[N+](=O)[O-]	4400
+C1CC1c2ccc(-c3nc(c4cn(nc4c3)C)OC(C5CNC(=O)C5)C)cn2	4401
+c1(C)cc(cc(C)c1C(=O)OC)-c2cc(c(OC)nc2)OC	391
+C[Si](C)(C)CCOCn1cc(nc1-c2ccc(cc2Cl)-c3c(cc(nc3)OCC4(CCC4)C(OCC)=O)C)C(F)(F)F	391
+C[Si](C)(C)CCOCn1cc(nc1-c2c(Cl)cc(cn2)-c3cnc(cc3C)OCC4(CCC4)C(OCC)=O)C(F)(F)F	907
+FC(F)(F)c1cc(-c2nc(C#N)c(c(NC)c2)N)cnc1OCCC3CCN(CC3)C(=O)OC(C)(C)C	1608
+FC(F)(F)c1cc(NC(Cc2ccc(cc2F)-c3cc(c(OCc4ccc(cc4)OC)nc3)OCC)=O)cnc1C(C)=O	391
+FC(F)(F)c1c(N)ncc(c1)-c2cc(nc(Cl)n2)Cl	2788
+FC(F)(F)c1cc(-c2cnc3n2nc(s3)-c4cccc(S(=O)(=O)C)c4)cnc1N	2921
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4nc(-c5cnc(c(c5)C)OC)c(C)c(C)c4)=O	1608
+O=S(=O)(c1ccc(cc1)-c2cnc(nc2)CC)Nc3c(F)c(F)c(c(F)c3F)C(=O)OC	1629
+c1nc(ncc1-c2ccc(cc2)C3(c4ccc(c(OC5CCCC5)c4)OC)C=CC(CC3)=O)N	1629
+FC(F)(F)C1CCCN1c2ncc(cn2)-c3nc(ccc3)N	8008
+C1OC(CCC1)OCCCN2C(=O)N(c3c(cc(cn3)O)C2=O)C	4393
+C1CCCCC1c2cc3cc(cnc3[nH]2)-c4n(nc(-c5nccnc5)c4)CC	2927
+C1CCCCC1c2cc3cc(-c4n(nc(c4)-c5cnccc5)CC)cnc3[nH]2	2927
+C(C)OC(c1cncc(-c2cnc(NC(NCC)=O)cc2Br)c1)=O	2711
+FC(F)(F)c1csc(-c2c(-c3cc(cnc3)C(=O)OCC)cnc(NC(=O)NCC)c2)n1	907
+c1(cncc(c1)-c2ccc(-c3cc4c(C(N(C4)C)=O)cc3)s2)N	8009
+COc1c2c(C#N)cnn2cc(-c3cnn(C)c3)c1	1029
+n1c(F)c(cc(-c2cnn(C)c2)c1)F	4111
+O(c1ccnc(-c2cnn(C)c2)c1)c3cnc(cc3)[N+]([O-])=O	1396
+O(c1cnc(cc1)N)c2ncnc(-c3cnn(C)c3)c2	2194
+c1(cc(-c2cnn(C)c2)ccc1N)C	320
+c1(c(c(c(cc1)Oc2cc(-c3cnn(C)c3)ncc2)F)F)N	1396
+Nc1ccc(-c2cnn(C)c2)cc1[N+]([O-])=O	320
+c1cc(cc(-c2c(cc(-c3cnn(C)c3)cc2)C=O)c1OC)CC(OCC)=O	320
+CN1C(c2c(C=C1)cc(-c3cnn(C)c3)cc2)=O	320
+c1cc(ccc1N)-c2c(N)ncc(-c3cnn(C)c3)c2	1029
+c1cc(ccc1-c2cnn(C)c2)C=3CCNCC=3	320
+c1cc(ccc1Cl)-c2cnn(c2)C	8010
+n1(C)ncc(-c2nnc(cc2)Cl)c1	3707
+c1ccccc1-c2nn(c3c2cc(-c4cn(nc4)C)nc3)C5CCCCO5	1864
+c1ccccc1S(=O)(=O)n2ccc3cc(-c4cnn(C)c4)cnc23	1029
+n1c([nH]c2ncccc12)-c3cc(-c4cnn(C)c4)cnc3N	1029
+C1CC1n2ncc(-c3cc4c(N(C(C)CN4)C(=O)C)cc3)c2	320
+n1n2c(c(c1)-c3ccnc(Cl)n3)CCCC2	2194
+CC1(C)C(C)(C)OB(O1)c2c(Cl)cnn2C	697
+c1(cc(-c2ccnn2C)c(C)s1)C(=O)OC	1730
+c1(cc(-c2ccnn2C)c(Cl)s1)C(=O)OC	1730
+c1(cc(-c2ccnn2C)cs1)C(=O)OC	1730
+COc1c(-c2ccnn2C)cc(s1)C(=O)OC	1730
+o1c(cc(-c2ccnn2C)c1C)C(=O)OC	4402
+CCn1c(ccn1)-c2coc(c2)C(=O)OC	4402
+CC(C)(C)OC(=O)N(C(C)C)c1ncc(-c2cc(c3nc(C(=O)OCC)cn3c2)-c4ccccc4)s1	8011
+CC1(C)OB(OC1(C)C)c2c(cccc2C)N	2666
+c1ccccc1COC(=O)NC2C(C)(C)C(C)(C#N)CC2	8012
+CC1(C)C(C)=Cc2cc(Sc3cc(ccc3)O)ccc2O1	5
+CC1(C)c2c(ccc([N+](=O)[O-])c2)N=C1C	77
+c1(c(Cl)c(c(c(F)n1)Cl)COC(C2C(C)(C)C2C=C(Cl)Cl)=O)F	204
+ClC(Cl)=CC1C(C)(C)C1C(=O)OCc2cc(ccc2)-c3cscc3	204
+CC1(C)CC(=O)C(C)(C)c2c1cc(C=Cc3cc(C)c(cc3)C(=O)O)c(C)c2	86
+CC1(C)c2c(C(C)(C)CC1CC)ccc(C)c2	8013
+CC1(C)c2ccc(cc2C(C1CC=O)=O)CC	8014
+CC1(C)CCCCC1CN(C)c2cccc(F)c2	891
+CC1(C)c2cc(OC)c(cc2CCC1=O)CC	1818
+ClC1(Cl)C(COS(=O)(=O)c2ccc(cc2)C)C1(C)C	36
+FC(F)(F)c1c(-c2c(CBr)nc3cccc(c3n2)Cl)cccc1	4403
+FC(F)(F)c1cc(Br)cnc1OCC	8015
+c1(c(c(ccc1F)Br)F)-c2ccc(cc2C#N)F	1718
+Nc1cc(OC)c(cc1Cl)Br	1718
+c1(cc(cc([N+]([O-])=O)c1C)Br)C(=O)O	1718
+c1c([N+](=O)[O-])cc(cc1Br)[N+](=O)[O-]	1718
+c1cc(cc(c1)-c2c(nc3c(n2)c(Cl)ccc3)CBr)F	4403
+c1ccccc1-c2c(nc3c(cc(F)cc3)c2C(OC)=O)C(C)Br	8016
+C(O)CCc1n2c(c(Br)c1)c(N)ncn2	8017
+CC1(C)Nc2ccc(Br)c(CNc3ccccc3OC)c2N(C1=O)C	1731
+CC1(C)C(=O)N(c2c(N(CC)C1=O)ccc(O)c2)C	5
+CC1(C)c2ccc(-c3cnccc3)c(F)c2N(C)C1=O	1617
+CC1(C)C(N(c2c(cc(CCC(OCC)=O)cc2)N(C1=O)C)CC)=O	159
+CC1(C)c2c(N(C)C1=O)cc(O)cc2	5
+c1cc(ccc1)CN2C(C3(CC3)O)COC(C)(C)C2=O	8018
+CC1(C)C(N(c2ccc(cc2N(C)C1=O)OCCCI)CC)=O	363
+C1CCCC1N2c3c(cnc(Nc4ccc(cc4OC)C(=O)O)n3)N(C)C(C(C)(C)C2)=O	55
+CC1(C)C(N(c2c(cc(cc2)CCC(=O)O)N(C1=O)C)CC)=O	3
+CC1(C)C(N(C)c2c(CCl)c(ccc2N1)Br)=O	229
+CC1(C)c2c(N(CC)C1=O)cc(c(c2)[N+](=O)[O-])N	106
+CC1(C)C(=O)N(c2c(cc(C=O)cc2)N(C)C1=O)CC	1543
+CC1(C)C(N(c2ccc(OCCCNS(=O)(=O)c3ccccc3[N+]([O-])=O)cc2N(C)C1=O)CC)=O	71
+O=S(=O)(c1c(cccc1)[N+](=O)[O-])N(CCc2cnccc2)CCCOc3ccc4N(C(=O)C(C)(C)C(=O)N(c4c3)C)CC	2821
+CC1(C)C(=O)N(CC)c2c(N(C1=O)C)cc(OCCCn3c(CN4C=Cc5c(cc(C)o5)C4=O)nc6ccccc36)cc2	1519
+CC1(C)C(NC(c2c(N)c(N)c(Br)cc12)=O)=O	0
+CC1(C)C(NC(=O)c2c1cc(c3c2[nH]c(-c4ccc(c([N+](=O)[O-])c4)C)n3)Br)=O	622
+c1cc(ccc1)-c2cn3ncc(C(=O)N)c(NC4CCC(C(=O)OC)(C4(C)C)C)c3c2	550
+CC1(C)C(c2cccc(Br)c2)Nc3c(cc(cc3C(OC)=O)Cl)C1	414
+CC1(C)C(Nc2c(C1)cc(Cl)cc2C(O)=O)c3cccc(NC(c4cnccn4)=O)c3	466
+C1CC1S(=O)(=O)NC(c2c3c(CC(C)(C)C(c4cccc(c4)NC(c5cnccn5)=O)N3)cc(Cl)c2)=O	258
+CC1(C)C(Nc2c(cc(cc2C(OC)=O)Cl)C1)c3cc(N)ccc3	0
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(=O)OC)[N+]([O-])=O	414
+O=S(=O)(C1CC1)NC(=O)c2cc3CC(C)(C)C(Nc3cc2)c4c(ccc(c4)F)C	258
+CC1(C)C(Nc2c(C1)cc(Cl)cc2C(O)=O)c3cc(N)ccc3	1
+CC1(C)C(=O)Nc2c(CO)c(Br)ccc2N1	98
+C1COCCN1c2cnc3c(NCC3(C)C)c2	15
+CC1(C)C(Nc2ccc(cc2C1)C(OCC)=O)c3cccc([N+](=O)[O-])c3	414
+C1CN(CCN1c2c(cc(C)cc2)C)c3cc(C4Nc5ccc(cc5CC4(C)C)C(=O)O)ccc3	6
+CC1(C)Cc2cc(C(OCC)=O)ccc2NC1c3cccc(N)c3	0
+CC1(C)C(c2c(ccc(c2)F)C)Nc3c(cc(cc3)C(OCC)=O)C1	414
+CC1(C)CC(CCC1O)Nc2c(C#N)cnc(n2)NCCc3cc(Cl)c[n+]([O-])c3	435
+CC1(C)CC(CCC1O)Nc2nc(ncc2C#N)NCCc3c(ccc(Cl)c3)S(=O)(=O)N	435
+CC1(C)Cc2cc(C(OCC)=O)ccc2NC1c3cc(ccc3)Br	414
+c1cc(ccc1C(CC(C)(C)C(=O)O)=O)Br	882
+O=S1(=O)c2c(cc(c(c2C(=O)C(C)(C)C1)C)C(C)=O)C	902
+CC1(C)C(=O)c2c(C1)cc(CCCCCC)c(O)c2	5
+CC1(C)C(Nc2c(cc(cc2)C(O)=O)C1)c3c(ccc(c3)F)C	6
+CC1(C)C(Nc2c(C1)cc(cc2C(OC)=O)Cl)c3cc([N+](=O)[O-])ccc3	414
+CC1(C)C(c2cccc(-c3ccc(cc3)S(=O)(=O)C)c2)Nc4c(cc(C(=O)NS(=O)(=O)C5CC5)cc4)C1	258
+CC1(C)Cc2cc(ccc2NC1c3cccc(c3)NS(=O)(=O)C)C(O)=O	80
+CC1(C)C(n2cncc2C(O)C)c3c(C(=O)O1)cccc3	3920
+CC1(C)C(c2ccccc2C(=O)O1)n3cncc3C=O	614
+CC1(C)C(c2ccccc2C(O1)=O)n3cncc3C(=O)C	4404
+CC1(C)C2(CC2CC1CC=C(C=O)C)C	3799
+FC(F)(F)C(N1CCC2(c3cccc(c3CC1C2(C)C)O)C)=O	520
+CC1(C)C2CCC1(C3=C2C(N(c4c(Cl)cc(F)cc4)N3Cc5c(F)cc(cc5)F)=O)C	4405
+c1cc(ccc1F)CN2N(C(=O)C3=C2C4(CCC3C4(C)C)C)c5ccc(F)cc5Cl	4405
+CC1(C)C(CC=C(C)CO)CC2C1(C2)C	8019
+CC1(C)COc2c(C13C=C(C(N)=N3)F)cc(Br)cc2	8020
+CC1(C)C2=CCC3C4CC=C(C4(CCC3C2(C)CCC1O)C)C(C)CCCC(C)C	8021
+c1cc(ccc1)C(=O)OC2C(C)(C)C3=CCC4C(C3(C)CC2)CCC5(C(=CCC45)C(C)CCCC(C)C)C	279
+CC1(C)C2(C3=C(C(=O)N(N3)c4c(Cl)cc(cc4)F)C1CC2)C	8022
+CC1(C)C2CC1C(C(C(OC)=O)C2)C	204
+CC1(C)C2CC(C(C)C1C2)C(N)=O	2168
+CC1(C)C(C(c2c(O1)ccc(c2)CC(NC3CCCc4ccccc34)=O)N)O	8023
+Cc1cc(cc(C)c1O)CNC(c2sc(c3c2CC4C(C)(C)C34)C)=O	227
+CC1(C)C2C(C(CC1C2)C(=O)Cl)C	130
+CC(C)(c1cc2c(C3C(CCC(=O)C3)C(C)(C)O2)c(O)c1)C(=O)O	4
+CC1(C)C2C1c3c(C2)c(sc3C)C(=O)O	6
+CC1(C)C2=NC(C(=O)NCc3ccc(F)cc3-c4oc(cn4)C)=C(C(=O)N2CCO1)OCc5ccccc5	8024
+CC1(C)C=2N(C(C(=C(C(O)=O)N=2)OCc3ccccc3)=O)CCO1	108
+CC1(C)Oc2c(C(C(C)C)=C1)cc(c(OCC)c2)C(=C(F)C(OCC)=O)C	2905
+CC1(C)C=C(C)c2c(ccc(c2CNc3ccccc3OC)-c4ccc(cc4OC)OS(=O)(=O)CCC)N1	444
+CC1(C)C=C(C)c2c(N1)ccc(c2CNc3ccccc3OC)-c4c(cc(cc4)OC(c5c(nccc5)C)=O)OC	8025
+CC1(C)C=C(C)c2c(ccc(-c3ccc(OCOC)cc3OC)c2CNc4ccccc4OC)N1	1731
+CC1(C)C=C(C)c2c(CNc3ccccc3OC)c(-c4c(cc(O)cc4)OC)ccc2N1	241
+CC1(C)CC(C)(C)CC(c2c(cccc2F)N)=C1	0
+CC1(C)C(C)(C)C=C(C1)c2c(N)cccc2	0
+CC1(C)Oc2c(C(C(C)C)=C1)cc(c(O)c2)C(=O)C	5
+CC1(C)C=C(N2C(C=C(C=C2)C(CCO)O)=O)c3c(O1)ccc(C#N)c3	44
+CC1(C)C=C(C)c2c(c(-c3ccc(cc3OC)OCOC)ccc2N1)CCl	438
+CC1(C)Nc2ccc(c(COc3c(C)ccc(c3)F)c2C(=C1)C)-c4ccc(cc4OC)OCOC	20
+C1CC(CCC1=O)(C)C	1678
+CC1(C)C=Cc2c(cc3c(nc(cc3C)C#N)c2)O1	8026
+CC1(C)Cc2ccc(cc2C=C1)C#N	180
+CC1(C)C2C(c3cc(ccc3O1)CC(=O)NC4CCCc5ccccc45)O2	8027
+CC1(C)CCC(CC(=O)OCC)(C[N+](=O)[O-])C1	3680
+CC1(C)CC(=O)C2=C(NC(=C(C2c3ccccn3)C(=O)OCC)COCCN)C1	18
+CC1(C)c2c(c(C)cc([N+]([O-])=O)c2)NC(=O)C1	31
+c1cc(ccc1C)S(=O)(=O)Nc2c(cccc2)Cc3c4C(CC(C)(C)Cc4n(CC(=O)OCC)c3C)=O	69
+CC1(C)Cc2[nH]c(c(Cc3c(cccc3)[N+]([O-])=O)c2C(=O)C1)C	2188
+c1ccccc1COc2ccc3OC(C)(C)CC(=O)c3c2	22
+CC1(C)C=C(CC(C)(C)C1)c2c(cccc2C)N	0
+c1cc(ccc1C#Cc2cc3c(c(c2)C=O)OC(C)(C)CC3(C)C)CC(=O)OC	129
+O=S(=O)(NC(c1ccc(nc1N2CC(C)CC2(C)C)Cl)=O)c3c(nccc3)O	43
+c1ccccc1S(=O)(=O)NC(c2ccc(-c3cc(cc(F)c3)OCC(C)C)nc2N4CC(C)CC4(C)C)=O	43
+C1CC1CN2CCN(CC2)c3c(C=4CC(C)(C)CC(C)(C)C=4)cccc3	252
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(O)c(Cl)c2)c3ccc(cc3)C=CC(=O)OCC	233
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(O)c(Cl)c2)c3ccc(cc3)C=CC(=O)O	108
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)OCC)c3ccc(O)c(F)c3	233
+CC1(C)CC(CC(C)(C)C1)=C(c2ccccc2)c3ccc(cc3)C=CC(=O)OCC	233
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)N)c3ccc(cc3)O	2045
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)O)c3ccc(O)c(F)c3	108
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)-c3c(cccc3)CO)c4ccc(cc4)O	88
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccc(cc3)-c4c(COC)cccc4	49
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccc(cc3)C=CC(OCC)=O	233
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccc(cc3)-c4ccccc4C(=O)OC	11
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)O)c3ccc(cc3)O	108
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)OCC(OCC)=O)c3ccccc3	52
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)OCC(=O)N)c3ccccc3	83
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)OCC(=O)O)c3ccccc3	3
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)O)c3ccccc3	108
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)Br)c3ccc(O)c(F)c3	904
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccc(cc3)Br	904
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(O)c(Cl)c2)c3ccc(cc3)Br	904
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)Br)c3ccccc3	904
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccccc3	904
+CC1(C)CC(CC(C)(C)N1Cc2ccc(cc2)Cl)=O	131
+CC1(C)CC(CC(C)(C)N1)N2C(=O)c3ccccc3C2=O	672
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)Br)ccn2	306
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(-c3ccc(-n4ccc(n4)N)cc3O)nn2)C	5
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3ccc(cc3O)-c4ncn(COCC[Si](C)(C)C)c4)C	5
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(nn2)-c3ccc(cc3OC)-c4ncn(COCC[Si](C)(C)C)c4	1715
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(-c3ccc(-n4nc(cc4)N)cc3OC)nn2	746
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(OC)cc4c(c(O)ccn4)c3)C	746
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(nn2)-c3ccc(cc3OC)O	746
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(cc4nccc(c4c3)Cl)OC)C	120
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(O)cc4nccc(OC)c4c3)C	260
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(cc4nccc(Cl)c4c3)O)C	5
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(cc(cc3)-c4cnc[nH]4)O)C	503
+CC1(C)CC(CC(C)(C)N1)N(c2sc(-c3ccc(-n4nccc4)cc3OC)nn2)C	4173
+CC1(C)CC(CC(C)(C)N1)N(c2sc(nn2)-c3c(cc(cc3)-n4nccc4)O)C	5
+CC1(C)CC(CC(C)(C)N1)N(C)c2nnc(cc2)Cl	212
+CC1(C)CC(CC(C)(C)N1)N(c2nnc(Br)s2)C	2339
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(O)C)ccn2	100
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(N)C)ccn2	18
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(C)N=[N+]=[N-])ccn2	2780
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(C)OS(=O)(=O)c4ccc(cc4)C)ccn2	36
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(=O)C)ccn2	379
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(C)(C)N)ccn2	213
+CC1(C)CC(CC(C)(C)N1)Nc2nccc(n2)-c3ccc(CCC(C)(C)N)s3	3295
+CC1(C)CC(CC(C)(C)N1C)Nc2ncc3c(n(-c4ccc(cc4)OC)nn3)n2	96
+CC1(C)CC(CC(C)(C)N1CC(F)(F)F)(c2ccc(c(c2)C=3CCC(C)(C)CC=3)NC(=O)c4nc(c[nH]4)C#N)O	251
+CC1(C)CC(CC(C)(C)N1CC(F)(F)F)=O	86
+CC1(C)CC(CC(C)(C)N1Cc2ccc(cc2)Cl)N	733
+CC1(C)CC(CC(C)(C)N1Cc2ccc(cc2)Cl)=NO	350
+CC1(C)CC(CC(C)(C)N1O)OCC2OC2	649
+CC1(C)CC(CC(C)(C)N1OCC(C)(C)O)NCCCC	87
+CC1(C)CC(CC(C)(C)O1)C(=O)O	459
+CC1(C)CC(CC(C)(C)O1)C(=O)C=[N+]=[N-]	1945
+CC1(C)c2c(ccc(C)c2)C(C)(C)CC1CCO	21
+CC1(C)C(C(=O)O)CCC(O)(c2sc(cn2)-c3cc(cc(c3)C)Nc4nccc(C)n4)C1	4
+CC1(C)CC(CCC1C(OC)=O)(O)c2sc(cn2)-c3cc(cc(c3)C)Nc4nccc(C)n4	836
+CC1(C)CN(C)C(C1)c2nnc3n2cc(F)cc3	757
+CC1(C)OCCC(N2CCN(C(Nc3ccc(Oc4cc(ncc4)-c5cn(nc5)C)cn3)=O)C2=O)C1	3953
+CC1(C)c2cc(C(=O)O)ccc2NC(c3cc(C#N)ccc3)C1	6
+c1ccccc1NC(c2cccc(c2)C3Nc4c(C(C)(C)C3)cc(cc4)C(=O)OCC)=O	67
+CC1(C)CC(Nc2c1cc(cc2)C(=O)OCC)c3cccc(C(O)=O)c3	1
+CC1(C)c2c(NC(c3cccc(N)c3)C1)ccc(Cl)c2	0
+CC1(C)CC(Nc2c1cc(cc2CC)CCCCl)=O	165
+CC1(C)c2ccccc2NCC1	15
+FC(F)(COc1c(CNc2ncc(C#N)c(NC3CCC(O)(C)C(C)(C)C3)n2)cncn1)C	435
+CC1(C)CC(O)(CCC1)CNc2ncnc3c2CN(CC3)c4ncc(C)cc4	40
+CC1(C)C=Cc2cc(Br)ccc2C1	1358
+CC1(C)Oc2cc(C(C)(C)CCCCCC)cc(O)c2C(C(=O)O)C1	16
+CC1(C)CC(c2c(C1)ccc(c2)Br)O	74
+CC1(C)CC(=O)c2c(Cc3ccccc3N)c(C)n(c2C1)CC(=O)OCC	0
+CC1(C)CC(CCS1(=O)=O)c2c3cc(cc(c3[nH]c2)C(N)=O)Br	393
+CC1(C)CC(=O)c2cc(O)ccc12	956
+CN(C)CCOc1ccc2c(C(=O)C(C)(C)CC2c3ccc(cc3)Cl)c1	72
+C1CN(CCN1c2cccc(c2)C3CC(C)(C)c4cc(ccc4N3)C(=O)O)c5c(cc(C)cc5)C	6
+CC1(C)CC1C(=O)Nc2c3c(F)c(cnc3[nH]c2)Br	469
+CC1(C)CC2(CC2)Oc3c(cc(cc13)C#Cc4ccc(c(F)c4)C(=O)O)C5CC5	1
+CC1(C)CC2(CC(C)(C)N1c3nc(Cl)nc(Cl)n3)OCCO2	436
+CC1(C)CC2=C(C(=O)C1)C(c3c(N2)c(C(N)=O)[nH]c3)c4ccc(Sc5[nH]c6ccccc6n5)o4	247
+CC1(C)CC2=C(C(c3ccc(Sc4[nH]c5ccccc5n4)o3)c6c[nH]c(C(=O)O)c6N2)C(=O)C1	6
+CC1(C)C(N2CC(c3n4c(c(Cl)ncc4)cn3)CCC2C1)=O	856
+C[Si](C)(C)CCOCn1cc(nc1C(Nc2ccc(cc2C3=CCC(C)(C)CC3)C4(CCS(CC4)(=O)=O)C#N)=O)C#N	616
+CC1(C)CCC(c2c(cc(C(C)=O)cc2)N)=CC1	0
+CC1(C)CCC(c2ccc(OC)cc2N)=CC1	0
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(Br)cc2C=3CCC(C)(C)CC=3	616
+CC1(C)CCC(=CC1)c2c(cc(C(C)(C)O)cc2)NC(c3nc(c[nH]3)C#N)=O	2929
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C=3CCC(C)(C)CC=3)CCC(=O)N	616
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(C=3CCC(C)(C)CC=3)cc(cc2)CCS(=O)(=O)N(C)C	616
+CC1(C)c2c(c(cc(Br)c2)O)C(=O)CC1	5
+CC1(C)CCC(=CC1)c2c(ccc(c2)CCC(=O)N)N	989
+CC1(C)CC=C(CC1)c2c([N+](=O)[O-])cc(cc2)C(=O)C	989
+CC1(C)c2c(c[nH]n2)C(CC1)=O	8028
+CC1(C)CCC(C)(C)C1C=O	1143
+CC1(C)CCC(C)(C)C1O	100
+CC1(C)CCC(C)(C)C1C(=O)Cl	130
+CC1(C)CCC(C)(C)C1OC(C2(CC2)NC(=O)OCc3ccccc3)=O	27
+CC1(C)CCC(C)(C)C1OC(=O)C2(CC2)N	1388
+CC1(C)c2cc(C=O)cc(O)c2C(C)(C)CC1	146
+CC1(C)c2c(OC)c(C#N)c(cc2C(C)(C)CC1)C	1421
+FC(F)(F)S(=O)(=O)Oc1c2C(C)(C)CCC(C)(C)c2cc(c1)C(=O)C	376
+CC1(C)c2c(C(C)(C)CC1)c(cc(C(C#Cc3cc(O)c(cc3)C(O)=O)O)c2)OCCOCC	121
+c1cc(ccc1C#CC(c2cc(c3c(C(C)(C)CCC3(C)C)c2)OCCOCC)O)C(=O)O	121
+CC1(C)c2c(cc3c(NC(N3)=S)c2)C(C)(C)CC1	1357
+CC1(C)CCC(C)(C)c2c1cc(C(=O)CC)c(O)c2	5
+CC1(C)CCC(C)(C)c2c1cc(O)c(c2)C(C)=O	5
+CC1(C)CCC(C)(C)c2cc(N)c(cc12)N	0
+CC1(C)CCC(C)(C)c2c1cc(c(c2)Br)Cn3nccc3	309
+c1cc(ccc1C(Cl)=O)C#CCc2ccc3C(C)(C)CCC(C)(C)c3c2	82
+CC1(C)CC2(CC1)CNC(=O)C2	1980
+c1ccccc1-c2c(cc(CC3CCC(C)(C)CC3)nc2O)OCOP(O)(O)=O	4406
+FC(F)(F)c1cc(ccc1)NC2=CC(C(C)(C)CC2)=O	4407
+CC1(C)CCC(C(C1=O)=CN(C)C)=O	2509
+CC1(C)c2cc(N)ccc2NC(=O)CC1	0
+CC1(C)CCC(=O)Nc2cc(O)ccc12	2599
+C[Si](C)(C)CCOCn1cc(nc1C(=O)Nc2cc(C(=O)C)ccc2C=3CCC(C)(C)CC=3)C#N	616
+CC1(C)CCCC(C)(C)N1c2nc(Cl)cc(Cl)n2	117
+CC1(C)C(CCCC1)CNc2cccc(F)c2	291
+c1c(F)c(c(cc1)F)C(=O)c2sc(nc2N)NC3CCN(CC3)S(=O)(=O)CCCN4CCCC(C)(C)C4	183
+CC1(C)CCC(=O)c2c1cc(Br)cc2OC	1720
+CC1(C)c2c(CCC1)cc(C(C)=O)c(O)c2	5
+CC1(C)CCCc2c1cc(OC)c(C(=O)C)c2	94
+CC1(C)c2ccccc2N(c3ccccc3NC(=S)NC(=O)c4ccccc4)CC1	865
+CC1(C)c2ccc(C(CCCCC)=C)cc2OCC1	2748
+c1cc(ccc1OCC(CCCCC)c2ccc3c(OCCC3(C)C)c2)C(=O)OC	20
+CC1(C)c2ccc(cc2OCC1)N	106
+O=S1(=O)c2c(C(C)(C)CC1)c(c(cc2C)C(C)=O)Cl	902
+CC1(C)CCSc2ccc(C#Cc3ncc(cc3)C#N)cc12	2351
+CC1(C)CCSc2ccc(C#Cc3ncc(cc3)C(O)=O)cc12	2160
+CC1(C)CCSc2ccc(cc12)C#Cc3ncc(cc3)C(=O)OCC	342
+CC1(C)CCc2c(nc3c(c2C1)c4c(o3)c(ncn4)NCc5cnccc5)OC	8029
+CC1(C)CCc2c(nc3oc4c(ncnc4c3c2C1)NCc5cnccc5)O	104
+CC1(C)c2cc(C=O)c(cc2CC1)O	5
+CC1(C)c2cc(OC)ccc2C(=O)C1	8030
+CC1(C)c2c(cc(OC)c(F)c2)CC1	4408
+CC1(C)N(CC(N(c2c(Cl)ccc(F)c2)C1)=O)CC(NS(=O)(=O)c3ccccc3[N+](=O)[O-])C4OC(C(C)C4)=O	4409
+FC(F)(F)S(=O)(=O)Nc1ccccc1CN2CC(C)(C)COC2=S	1422
+CC1(C)CC(N(C1)C)C(=O)NNc2ncc(F)cc2	355
+CC1(C)CN(C)C(c2nnc3n2cc(OC4CCC(c5c4cccc5)N)cc3)C1	870
+O=S(=O)(N1CCN(N=O)C(C)(C)C1)C	4410
+CC1(C)CN(CCOCC2CO2)C(=O)C(C)(C)N1C	649
+CC1(C)CN(C(=S)OC1)Cc2c(N)cccc2	0
+c1cc(ccc1OCOC)-c2nc3c(c(c2)CN4CC(C)N(CC4(C)C)Cc5cnccc5)c(C)nn3C6CCCCO6	2141
+O=S(=O)(CC)c1ccc2c(c1)N(CC2(C)C)C(=O)C	562
+O=S(=O)(c1c(cc2c(N(C(C)=O)CC2(C)C)c1)Br)Cl	240
+C[Si](C)(C)C#Cc1ccc(nc1)N2CC(C)(C)CC2=O	3878
+CC1(C)OCC(CCO)N(C(c2cc(c3oc(nc3c2)NC(C)c4cc(ccn4)Cl)OC)=O)C1	30
+CC1(C)OCC(N(C1)C(=O)c2cn3c(nc(n3)NCc4cccc(Cl)c4)c(OC)c2)CCO	211
+CC1(C)CN(CCN1)S(=O)(=O)C	112
+c1cc(ccc1)CN2Cc3c(nc(cc3)O)C(C)(C)C2	131
+CC1(C)c2ncc(Br)cc2N(C1)c3c4c(nc(-c5ccccn5)c3C)cc(cc4)F	8031
+CC1(C)CN(c2c1cc(Br)cc2)S(=O)(=O)c3cc(c(OCC(=O)OCC)cc3)C	416
+CC1(C)OB(OC1(C)C)c2cn(nc2)CC(C)(C)O	2790
+CC(C)(O)COc1c(cc([N+]([O-])=O)cc1)OC	626
+CC(C)(O)Cn1cc(nc1)I	2930
+CC(C)(O)Cn1ccc(n1)[N+](=O)[O-]	2790
+CC(C)(O)COc1c(OC)cc(Br)cc1	626
+CC(C)(O)Cn1ncc2cc(ccc12)Oc3c(cc(cc3)F)C#N	4411
+CC(C)(O)COc1ccc(cc1OC)N2C(C=C(C=C2)OCc3ccc(cc3)F)=O	626
+c1ccccc1CN(Cc2ccccc2)CC3CCN(CC3)CC(C)(C)O	170
+O=Cc1c2c([nH]c1)cc(Cl)c(c2)-c3cc4OCC(CO)Oc4cc3	2625
+c1cc(ccc1-c2cc3c(cc2Cl)[nH]cc3C=O)C4(CCC4)CO	2625
+c1cc(ccc1C2(COC2)COCc3ccccc3)-c4c(Cl)cc5[nH]cc(C(OC)=O)c5c4	749
+C1CN(CCN1CCCOc2ccc(cc2)-c3c(Cl)cc4c(c(C(=O)OC)c[nH]4)c3)C	749
+CC1(C)OCC(OC1)CN	18
+c1cc(ccc1)COc2nc(c(cc2)F)NCC3COC(C)(C)CO3	430
+CC1(C)COC(c2ccc(cc2)C(O)=O)=N1	1
+CC1(C)COCC(C)(C)N1N=O	8032
+CC1(C)COCC(C)(C)N1N	1651
+CC1(C)COc2ccc(-c3cc(cnc3)F)cc2C14C=C(C(N)=N4)F	305
+CC1(C)c2cc(cc(c2OC1)Br)C(=O)NC	14
+CC1(C)COc2cccc(Oc3ncc(cn3)[N+]([O-])=O)c12	893
+CC1(C)COc2c1c(O)ccc2	5
+n1cc(cnc1Oc2cccc3OCC(C)(C)c23)N	193
+CC1(C)CC(c2c(n(c(C)c2Cc3ccccc3[N+]([O-])=O)CC(=O)OCC)C1)=O	2318
+CC1(C)Cc2c(C(=O)C1)c(cn2-c3cccc(F)c3)CC	4412
+c1nc(ncc1)-n2c3c(C(=O)CC(C)(C)C3)c(c2)CC	8033
+CC1(C)Cc2[nH]nc(c2CC1)-c3cc4ccc(NC)cc4[nH]3	2931
+CC1(C)Cc2n(cc(C)c2C(C1)=O)-c3cc(Br)c(C#N)cc3	4413
+CC1(C)CC(c2c(n(cc2C)-c3cc4c(cc3)c(N)ncc4C(C)=NO)C1)=O	4413
+CC1(C)Cc2[nH]cc(CC)c2C(=O)C1	2603
+CC1(C)CC(=O)c2c(c([nH]c2C1)C)C(c3ccccc3[N+]([O-])=O)O	8034
+CC1(C)Cc2ccc(cc2C=N1)[N+]([O-])=O	77
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(-c5cc6nc(CCC)[nH]c6nc5)ccc4OCC3	3859
+CC1(C)Cc2c(CC1)ncnc2N3Cc4c(OCC3)ccc(-c5cc(c(N)nc5)NC(CCC)=O)c4	308
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(-c5cc6c(nc5)[nH]c(C(F)F)n6)ccc4OCC3	2684
+CC1(C)Cc2c(CC1)ncnc2N3Cc4c(OCC3)ccc(c4)-c5cnc(N)c(c5)N	13
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(ccc4OCC3)-c5cnc(N)c([N+]([O-])=O)c5	89
+CC1(C)Cc2c(Cl)ncnc2CC1	64
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(ccc4OCC3)B(O)O	54
+CC1(C)C(c2cccc(-c3ccc(cc3)S(=O)(=O)C)c2)Nc4c(cc(cc4)C(O)=O)C1	11
+CC1(C)Cc2cc(cc(CO)c2O1)Br	98
+CC1(C)Cc2c3[nH]c(nc3cc(C(OC)=O)c2O1)Nc4c(Cl)cccc4C	1701
+CC1(C)Oc2c(cc(-n3cnnn3)cc2C1)C(=O)OCC	797
+Clc1c[n+](cc(Cl)c1NC(=O)c2cc(C3=NC(C)(C)Cc4c3c5c(OC(C)(C)C5)c(c4)OC)ccc2)[O-]	414
+CC1(C)Cc2c(O)cccc2C1N3CCCCC3	5
+CC1(C)Cc2c(c(cc(c2)Cl)C(=O)OC)O1	47
+c1cc(ccc1S(=O)C)N2CCN(CC2)c3c(C)c4CC(C)(C)Oc4c(C)c3C	357
+CC1(C)Cc2c(C(=O)C1)c(CC)c(C(=O)O)[nH]2	6
+CC1(C)Oc2c(cc(cc2C1)Cl)O	173
+CC1(C)Cc2c(c(OC(C)=O)cc(Cl)c2)O1	196
+CC1(C)Cc2c(c(OC(=O)C)cc([N+]([O-])=O)c2)O1	77
+CC1(C)Oc2c(CO)cc(cc2C1)Cl	98
+c1ccccc1COC2C(CCCC2)Nc3cc(ccc3C#N)-n4c5CC(C)(C)CC(c5c(CC)n4)=O	250
+CC1(C)Oc2c(C1)c(c3oc(CC)cc3c2)CO	4414
+c1cc(ccc1-c2c(cccc2)C3=NOC(=O)N3)CN4C(=NC(=C(c5ccc6OC(C)(C)Cc6c5)C4=O)CC)CCC	618
+CC1(C)Oc2c(N)ccc(Cl)c2C1	0
+CC1(C)C(O)c2cccc(OC)c2C1	74
+CC1(C)Cc2c(n3c(C(=O)N(CC3)c4nccc(C5=CN(C)C(C(=C5)Nc6cc7n(CCOC7)n6)=O)c4CO)c2)C1	269
+CC1(C)N2c3c(C(=O)C(=C2)C(NCc4ccc(cc4)Cl)=O)cc(cc3C1)C#CCO	1267
+CC1(C)Oc2c(c3nc([nH]c3cc2C(O)=O)Nc4c(cccc4Cl)C)C1	1
+CC1(C)Cc2c(O1)c(C(=O)OC)cc(Br)c2	47
+CC1(C)Cc2c(NC1c3cc(ccc3)Br)ccc(c2)C(O)=O	6
+CC1(C)C(c2cccc(N)c2)Nc3c(cc(cc3)C(O)=O)C1	6
+c1ccccc1C2=NC(C)(C)Cc3c2c4c(OC(C)(C)C4)c(OC)c3	8035
+CC1(C)Cc2cc(cc(CCl)c2O1)Br	229
+CC1(C)Cc2c(O1)c(OC)cc3C(C(C)(C)N=C(c4cc(C(=O)Nc5c(Cl)c[n+](cc5Cl)[O-])ccc4)c23)O	8036
+CC1(C)Cc2cc3n(CCN(C3=O)c4nccc(Cl)c4CO)c2C1	269
+CC1(C)Cc2cc3C(=O)N(CCn3c2C1)c4c(C=O)c(ccn4)Cl	2334
+CC1(C)Cc2cc3C(N(CCn3c2C1)c4nccc(Cl)c4COC(C)=O)=O	204
+FC(F)(F)c1c(C(=O)Nc2ccc3CC(C)(C)OB(O)c3c2)ccc(F)c1	3576
+CC1(C)NCc2cc(ccc2C1)[N+]([O-])=O	1172
+CC1(C)Cc2c(ccc(C(O)=O)n2)CC1	1
+CC1(C)Cc2c(cc(C(O)=O)s2)C1=O	6
+CC1(C)c2ccc(cc2C(C)(C)N1C)N	0
+CC1(C)OC2CCCCC2N1c3nc4ccc(CNc5ncnc(Cl)c5[N+]([O-])=O)cc4s3	40
+FC(F)(F)C(NC(=O)C(=O)N1C(C)(C)C(C(=O)OCC)CC1)C	8037
+CC1(C)N(CCN(C1)c2c(OC)cc(N)cc2)C3COC3	0
+CC1(C)N(CCNC1)C	15
+FC(F)(F)c1nc(-c2cccc(C(=O)N3CC(C)(C)N(CC3)c4ccc(C#N)cn4)c2)no1	30
+CC1(C)N(c2scc(n2)-c3c(cc(cc3)C#N)F)C(OC1)=O	180
+CC1(C)N=C(c2cc(N)ccc2N(C1=O)C)c3ccccc3F	0
+CC1(C)N=C(c2c(N(C)C1=O)ccc(c2)[N+]([O-])=O)c3c(F)cccc3	239
+C1CCC2(C1)N(CC(C)(C)NC2=O)Cc3ccccc3	1330
+c1cc(ccc1C(NC)=O)OCC(O)CN(Cc2ccccc2)C(COc3cc4c(OC(C)(C)NC4=O)cc3)C	170
+CC1(C)c2c(C(=O)N1C)c(ccc2)[N+](=O)[O-]	497
+c1cc(ccc1CC2N(C(C)(C)C3C2C(=O)N(Cc4ccccc4)C3=O)C)Br	2195
+CC1(C)NC(=O)c2c(O1)ccc(OCC(C)NCc3ccccc3)c2	87
+CC1(C)NC=2N(CC1)C(=O)C=C(N=2)Cl	8038
+CC1(C)CN(C(=O)CN1CC(C2CC(C(O2)=O)CC)NS(=O)(=O)c3ccccc3[N+](=O)[O-])c4c(C)cccc4	4409
+CC1(C)N(CCNC1=O)C	8039
+c1cc(ccc1CN2C(C)(C)C(NCC2)=O)OC	1330
+c1ccccc1CN2CCNC(=O)C2(C)C	1330
+FC(F)(F)C(=O)N1Cc2cc(ccc2CC1(C)C)[N+](=O)[O-]	520
+CC1(C)Nc2ccc(c(CO)c2N(C)C1=O)-c3cc(ccc3OC)Cl	65
+CC1(C)Nc2ccccc2N(C)C1=O	239
+CC1(C)C(N(c2c(N1)cc(N)cc2)C)=O	0
+c1ccccc1C(Oc2cc(c(-c3c(COc4c(C)ccc(c4)F)c5c(NC(C)(C)C=C5C)cc3)cc2)OC)=O	1039
+CC1(C)C=C(c2c(c(-c3ccc(cc3OC)OCOC)ccc2N1)CO)C	65
+CC1(C)C(=O)N(C)c2c(ccc(-c3cc(ccc3OC)Cl)c2CCl)N1	438
+CC1(C)Nc2ccc(-c3ccc(O)cc3OC)c(COc4c(C)ccc(c4)F)c2C(=C1)C	241
+CC1(C)Nc2cc([N+]([O-])=O)ccc2N(C)C1=O	4415
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	1423
+CC1(C)OB(O)c2ccc(C=O)cc12	2196
+CC1(C)c2cc(c(F)cc2B(O)O1)C=NO	135
+CC1(C)c2c(ccc(C(Cl)=NO)c2)B(O1)O	761
+CC1(C)OB(O)c2ccc(C=NO)cc12	135
+COc1c(ccc(N)n1)C(=C)C	4416
+c1cc(ccc1)-c2ncc(C(C)=C)cc2	8040
+c1ccccc1-c2nccc(c2)C(C)=C	8041
+n1cc(N)cc(C(=C)C)c1	4416
+FC(F)(F)c1cc(c(OCc2ccccc2)cc1)C3=C(B(O)O)CCCC3	8042
+C(OC(CC1CC=C(CC1)c2c3cc(ccc3ncc2)F)=O)C	8043
+c1(c([N+]([O-])=O)cccc1)C=2CCCC=2	8044
+O=S(=O)(C)c1cc(c(cc1)F)C2=CN(C(=O)c3ccccc23)C	4417
+c1cc(ccc1S(=O)(=O)n2ccc3c2C(=O)N(C=C3c4c(c([N+](=O)[O-])c(cc4)N)Oc5c(F)cc(cc5)F)C)C	4418
+c1cc(ccc1S(=O)(=O)n2ccc3C(c4ccc5OCC(Nc5c4Oc6ccccc6)=O)=CN(C(=O)c23)C)C	4418
+O=S(=O)(c1cc(c(OCC2CC2)cc1)C3=CN(C(C=4CCCCC3=4)=O)C)C	8045
+CN(C)c1cc2c(cc1)C(=O)N(c3cccc(C4=CN(C(C(Nc5ncc(C(=O)N6CCOCC6)cc5)=C4)=O)C)c3)C=C2	8046
+CC(C)(C)OC(=O)N1CC=C(c2cc3c(nnc(C(N)=O)c3Nc4c(cc(cc4)C)F)cc2OC)CC1	563
+CC(C)(C)OC(N1CC=C(c2n3C(c4ncccc4)COc5c3c(n2)ccc5-c6c(noc6C)C)CC1)=O	8047
+FC(F)(F)c1cc(cc(N)c1)C=2CCN(C(OC(C)(C)C)=O)CC=2	563
+FC(F)(F)c1nc(NC(Nc2c3c(ncc2)ccc(C=4CCN(C(OC(C)(C)C)=O)CC=4)c3)=O)ccc1	563
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3c(ncn2)CCC3C	8048
+CC(C)(C)OC(=O)N1CC=C(CC1)c2cc(Cl)nc(Cl)c2	8049
+CC(C)(C)OC(N1CC=C(c2ccc(N)c(CC)c2)CC1)=O	563
+CC(C)(C)OC(N1CC=C(c2cnc([N+](=O)[O-])cc2)CC1)=O	1076
+CC(C)(C)OC(N1CC=C(c2cnc(N)c(-c3noc(n3)-c4ccccc4)n2)CC1)=O	8050
+CC(C)(C)OC(=O)N1CC=C(c2n(c3c(c(ncn3)-c4cc(F)ccc4OC)c2)S(=O)(=O)c5ccccc5)CC1	8051
+CC(C)(C)OC(N1CC=C(CC1)c2ccc(cc2)C(C(OC)=O)C)=O	4385
+CC(C)(C)OC(=O)N1CCC(=CC1)c2nc(c(cc2)C(N)=O)-c3ccc(cc3)C(OC)=O	4419
+CC(C)(C)OC(N1CC=C(c2ncc(cc2)C(=O)Nc3cn4c(cc3)nc(C)c4)CC1)=O	4419
+CC(C)(C)OC(N1CCC(=CC1)c2cnc(nc2)N3CCOC(Cn4c5nc(-c6cn(C)nc6)cnc5nn4)C3)=O	8052
+CC(C)(C)OC(=O)N1CCC(=CC1)c2cc(c3OC(Cc3c2)C4CCN(CC4)c5ncc(cn5)CCC)F	563
+CC(C)(C)OC(N1CC=C(CC1)c2cc3CC(Oc3cc2)(C4CCN(CC4)c5ncc(cn5)C6CC6)C)=O	563
+CC(C)(C)OC(N1CC=C(c2cnc(N)c(c2)-c3ncccn3)CC1)=O	1076
+CC1(C)c2ncc(C=3CCOCC=3)cc2N(c4c(C)c(nc5c4ccc(c5)F)-c6ccccn6)C1	1076
+c1cc(ccc1Oc2ccc(c3c2CCC3Oc4ccc5c(c4)OCC5CC(OC)=O)F)C=6CCOCC=6	563
+O=S(=O)(Cc1cc(C=2c3cc(-c4cnn(c4)C)ccc3C(N(C)C=2)=O)c(cc1F)OC)C	4417
+c1(C)ccc(c(C=C)n1)-c2oc(cn2)CC	2407
+Fc1c(OC)cc(OC)c(F)c1N2Cc3cnc(C=C)cc3N(C2=O)CC	2407
+O(C)c1c(C(=O)C)cc(Cl)c(C)c1C=C	8053
+c1cc2c(ccc(c2)C=C)c(c1OC)[N+]([O-])=O	2847
+c1cc(ccc1-c2oc3c(cc(c(N(c4cc(Cl)c(C=C)cc4)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	2847
+FC(F)(F)c1csc(-c2cc(NC(=O)NCC)ncc2-c3ccc4C(=O)C(=CN(CC)c4c3)C(=O)OCC)n1	391
+c1(c(-c2cc3ccccc3cn2)cc(N)cc1)C	362
+n1c(C)onc1-c2cc(NC(=O)c3cnc4ccc(cn34)-c5c(n[nH]c5C)C)c(C)cc2	1029
+CN(C)c1c(C#N)ccc(Oc2cc3COB(c3cc2)O)n1	2191
+O=S(=O)(C)CC1OB(O)c2cc(ccc12)OC3CCCC3	8054
+CC1(C)C(C)(C)OB(O1)c2ccc(NS(=O)(=O)C)cc2Cl	80
+O=S(=O)(NCc1cc(cnc1)-c2c(Cl)cc3N(C(=O)CCc3c2)C)CC	156
+FC(F)c1c(-c2ncnc(c2)OC)c(c(Cl)cc1)F	379
+Fc1cc(cc(F)c1-c2nc(C(OC)=O)ccc2F)-c3c(noc3C)C	245
+c1c-2c(CCc3nnc(C)n-23)cc(-c4cncc(C)c4OC)c1F	156
+c1(CO)c(c(cnc1)-c2cc3CCC(N(c3cc2F)C)=O)C	156
+Fc1cccc(F)c1-c2nc(cs2)C(OCC)=O	4213
+FC(F)(F)c1cc(-c2ncnc(C(F)(F)F)c2C)c(N)cc1OCCOC	379
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3cnc(N)c(c3)-c4cc5c(cn4)c(F)ccc5Br)cn2	2926
+CC(C)(C)OC(N1CCC(CC1)n2cc(cn2)-c3cc(-c4ncc5c(cccc5)c4F)c(N)nc3)=O	2926
+n1cc(cnc1Cl)-c2c(c(C=O)ccc2)CC	1207
+CC1(C)OB(OC1(C)C)c2c(C)c(ccc2)NC(=O)c3cc4CCCCc4s3	864
+CC1(C)OB(OC1(C)C)c2c(c(ccc2)N)C	0
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)C#Cc4ccc(OC)cc4C	8055
+CC(C)(C)C(=O)Nc1cc(F)ccc1-c2ncccc2	245
+Cc1ncc(N)nc1-c2ccc(Oc3nccc4c3cco4)cc2C	1368
+O=S(=O)(c1cc(c(-c2cc(Cl)ccc2C#N)cc1)OC)CC	99
+O=S(=O)(c1ccc(c(c1)OC)-c2cc(ccc2F)-c3c4c(nnc3)n(cn4)CC)CC	756
+O=S(=O)(c1ccc(-c2cc(ccc2F)Br)c(OC)c1)CC	756
+c1c(C)c(C(Nc2ncc(-c3cc(-c4cnn(C)c4)ccc3Cl)nc2)=O)cnc1	1368
+FC(F)(F)c1cc(C=O)c(-c2c(OC)ccc(CC(OCC)=O)c2)cc1	99
+c1cc(cc(-c2c(C=O)cc([N+]([O-])=O)cc2)c1OC)CC(OCC)=O	99
+c1cc(cc(-c2c(cc(cc2)F)C=O)c1OC)CC(OCC)=O	99
+FC(F)(F)c1cc(C=O)c(-c2c(OC)ccc(c2)CC(=O)OC)cc1	99
+c1cc(F)c2C(OB(O)c2c1OCC)C[N+](=O)[O-]	4388
+CC(C)NC(=O)c1c(c(-c2ccc(N)c(n2)C(=O)OC)c(cc1)F)F	245
+CC1(C)OB(OC1(C)C)c2c(CNc3ccccc3C)cccc2C	608
+n1c(c(cc(c1-c2c(cccc2)F)-c3c(cncc3)Cl)[N+]([O-])=O)N	1420
+FC(F)(F)c1c(cccn1)-c2ccc3n(cc(-c4ccc(c([N+](=O)[O-])c4)C)n3)n2	1633
+c1(ocnc1)-c2cc(ncc2)-c3c(C)ccnc3OC	1797
+CC(C)(C)[Si](C)(C)OC1CCc2c(-c3cnc(-c4cc(c(F)cc4)C#N)s3)cccc12	836
+[N-]=[N+]=NCc1c(-c2c3sc(cc3ccc2)-c4nc(ncc4F)NCCN5CCNC5=O)cc(nc1)F	8056
+c1cc(ccc1)S(=O)(=O)n2cc(c3cc(cnc23)OC)-c4cc(Cl)nc(Cl)c4	8057
+CC1(C)C(C)(C)OB(O1)c2c3ccccc3c(CO)cc2	49
+c12cc(-c3c[nH]nc3)ccc1cncc2	320
+c12n(c(nc(-c3cnn(C)c3)c1)-c4c[nH]nc4)ccn2	4420
+n1cc(-c2cc3OCCc4c(-c3cc2)sc(c4)C(N(c5c(Cl)cccc5)C)=O)c[nH]1	320
+C1CN(CCC1(c2ccc(cc2)Cl)c3ccc(cc3)-c4cn[nH]c4)C	320
+c1cc(ccc1-c2cn[nH]c2)C3(CCNCC3)c4ccc(cc4)Cl	320
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)-c3cn[nH]c3	320
+CC1(C)OB(OC1(C)C)c2cn(nc2)CCCOCc3ccccc3	338
+FC(F)(F)c1[nH]ncc1-c2cc(ncn2)N	2194
+N#Cc1c(c(F)ccc1)-c2cc(ccc2F)-c3cnnc(O)c3	8058
+C1COCCC1Oc2ccc(cc2C#N)-c3ccnc(Cl)n3	379
+CN(C)CCCNc1nc2ccc(cc2cn1)-c3c(ccc(C(NC4CC4)=O)c3)C	99
+C1CC1NC(=O)c2ccc(c(c2)-c3cc4cnnc(N5CC6COC(=O)N6CC5)c4cc3)C	4389
+c1cc(ccc1)-n2nc(C(OCC)=O)cc2NC(c3cc(-c4c(ccc(n4)CC#N)Cl)ccc3Cl)=O	362
+CC1(C)OB(OC1(C)C)c2cc(c(N)c(N)c2)C	0
+c1(cc(-c2c(nc(nc2CC)N)N)ccc1N)C	1207
+FC(F)(F)c1ccnc(Nc2cc(cc(C)c2)-c3cnc(cc3)C=CC(=O)OCC)n1	156
+FC(F)(F)c1cc(c(-c2c(OC)ccc(CC#N)c2)cc1)C=O	99
+CN(C)CCc1cc(-c2n(C)nc(C)c2C)ccc1OC	8059
+FC(F)(F)C(=C)c1cc(Cl)c(c(Cl)c1)C	2192
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)C(F)F)=C	2192
+CCC(NC1CCCc2c(cncc12)-c3cc(Cl)c4N(C(CCc4c3)=O)C)=O	156
+CC1(C)OB(OC1(C)C)c2cc(cc(Cl)c2)OS(=O)(=O)C	444
+c1ccccc1COC(=O)N2C(c3n4ccnc(N)c4c(-c5ccc(C(=O)Nc6ccccn6)c(F)c5)n3)CCC2	1729
+c1(cc(cc(F)c1-c2n(nc(C)c2C(=O)c3ccc(cc3Cl)F)C)O)F	8060
+O=S(=O)(NC1c2cncc(-c3cc(c4c(CCC(=O)N4C)c3)F)c2CCC1)CC	156
+CC1(C)OB(OC1(C)C)c2cc(cc(N)c2C)F	0
+c1cc(ccc1NC(=O)c2cc(c(nc2)N(CCO)C)-c3cc(cnc3)F)OC(F)(F)Cl	907
+c1ncc(cc1-c2cncc(c2N)[N+]([O-])=O)F	907
+CN1C(c2c(cc(-c3cnn(C)c3)cc2)C(c4c(F)ccc(N)c4)=C1)=O	4396
+FC(F)(F)c1cccc(C(=O)Nc2ccnc(-c3cc(N4CCCCC4)ccc3N)c2)c1	362
+CC1(C)OB(OC1(C)C)c2cc(N3CCCCC3)ccc2N	0
+C1CCCCN1c2cc(c(cc2)[N+](=O)[O-])-c3nccc(c3)C=O	362
+C1CCCCN1c2cc(-c3cc(Cl)ncn3)c(cc2)[N+](=O)[O-]	379
+O=S1(=O)N(c2c(ncc(-c3ccnc(NC(=O)C)c3)c2)C)CC(N(C)C)C1	1420
+CC(C)(C)c1cc(OC(C)C)cc(c1)-c2cc(nn2-c3ccc(cc3)C(=O)N)-c4ccc(cc4)C(=O)OC	1016
+OB(O)c1ccc(c(OC(F)F)c1)Cl	1050
+c1cc(ccc1)CN2N=C(c3cc(c(cc3)O)OC)c4c(cccc4)C2=O	8061
+C1C(CC1)Oc2cncc(-c3ccc4c(c3)c5c(cn4)N(C(N5c6cn(nc6C)C)=O)C)c2	391
+c1c(cc(-c2cc(OCC(O)CN3CCc4ccccc4C3)ccc2)c(c1)OC)Cl	99
+c1cc(ccc1OC)-c2cccc(c2)OCC(O)CN3CCc4c(C3)cccc4	99
+c1cc(ccc1)Cn2c3cc(-c4cccc(OCC(O)CN5CCc6c(C5)cccc6)c4)ccc3nc2	492
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4cc(ccc4)OCCCCl	8062
+C1CC1COc2c(C3=CN(C)C(=O)C(=C3)O)cc(S(=O)(=O)CC)cc2	8063
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)F)N	0
+CCOC(c1c(n(C2COCC2)nc1)-c3ccc(cc3[N+]([O-])=O)-c4c(cc(OCC)nc4C)C)=O	156
+c1ccccc1CSc2ccc3c(ncnc3-c4cc(C)c(cc4OC)Br)c2	379
+CC1(C)OB(OC1(C)C)c2ccc(F)c(c2)COc3ncc4c(CC5C(C(OCC)=O)C45)c3	1424
+O=S(=O)(C)c1c(cc(c(c1)F)F)-c2c([N+](=O)[O-])cc(cn2)Br	245
+CC1(C)C(C)(C)OB(O1)c2cc3c(c(C)c2)[nH]c(n3)N	2932
+FC(F)c1c2cn(nc2nc(-c3ccc(c(C#N)c3)N)c1)C	362
+c1cc(ccc1OC)Cc2cc(C(OC)=O)c(O)c(c2C)Cl	8064
+C1CC1c2c(cc(c(O)c2)C(=O)OC)Cc3ccc(cc3)-n4cccn4	8065
+C1CCCC(n2c3c(ccc(-c4c(CC)cc(OC)c(c4)F)c3)cn2)O1	492
+C1CC1COc2ccc(-c3cc(ncc3)Cl)cc2C#N	2336
+OB(O)c1cc(c(cc1)S(=O)(=O)C)F	1050
+FC(F)(F)C(c1c(F)c(Cl)c(c(c1)Cl)F)=C	2192
+c1cc(ccc1N2CCN(CC2)C3COC3)Nc4nc(ncn4)-c5cc(C#N)c(F)cc5	2079
+CC(C)(C)OC(=O)Nc1ccc(-c2cncc(C)n2)cc1Cl	1728
+CC(C)Oc1c(cc(-c2ncc(cn2)Br)cc1)C#N	2520
+CC(C)(O)COc1ccc(B(O)O)cc1OC	1050
+C[Si](C)(C)c1c(cc(cc1)-c2nc(C(OC)=O)c(c(c2F)N)OC)F	362
+O(C(=O)c1cc(-c2ccccn2)c(cc1Cl)Cl)C	245
+O(c1c(ccc(C(Nc2c(F)ccc(c2)C)=O)c1)F)c3cc(-c4[nH]cc(c4)C(=O)OC)ncc3	8066
+c1c(C#N)cc(cc1)-c2ccc3COB(c3c2)O	2191
+c1cc(ccc1)COc2cccc(Oc3ccc4c(c3)B(OC4)O)c2	2191
+O=S(=O)(c1cc(C=2c3c(C(=O)N(C)C=2)cncn3)c(F)cc1)C	8067
+FC(F)(F)c1cccc(CNC(=O)c2cc(-c3cc(ccc3[N+]([O-])=O)F)ncc2)c1	362
+c1ccccc1-c2c3c(NCc4ncccc4)nc(-c5cc(cnc5)-c6ocnc6)nc3ccc2	1323
+O=S(=O)(c1cncc(-c2nc3c(-c4cc5c(o4)cccc5)ccnc3cc2)c1)Nc6ccc(cc6F)F	8068
+N#Cc1cc(ccn1)-c2cc(nc(c2)C(=O)Nc3scc(C)n3)C	8069
+C1CC(CCO1)n2c3ccnc(OC)c3c(n2)-c4cc(sc4)C(=O)OC	4421
+CC(C)(C)n1c2ccnc(c2c(-c3cc(sc3)C(=O)OC)n1)OC	4421
+O=S(=O)(N)c1cccc(-c2cc3c(CCCC3=O)cc2)n1	245
+CC1(C)CCC(C)(C)c2cc(-c3nc(ccc3)N4CCC(CCC4)NCCCCO)ccc12	245
+c1cc(ccc1CCC(=O)O)-c2cc3c(N(C(C)CC3Nc4ncc(cc4)C#N)C(C)=O)cc2	99
+CN1C(c2c(C=C1)cc(cc2)-c3ncccc3)=O	245
+O=C1OCc2cc(ccc12)-c3c(c(c(OCC)cc3)OC)OCOC	99
+c1cc(ccc1CNc2c(Cl)c(c(-c3cc4CS(=O)(=O)N(C)c4cc3)cn2)N5CCC(C(O)C5)C#N)OC	156
+O=S1(=O)Cc2cc(ccc2N1C)-c3c4c(ccc(C(NC)=O)n4)cnc3	4422
+C1CC1NS(=O)(=O)c2ccc(cc2)-c3cc(-c4ccc5c(NCC(C)NC5=O)c4)c(nc3)N	156
+C1CC1NS(=O)(=O)c2ccc(cc2)-c3cc(-c4ccc5c(C(C)(C)CNC5=O)c4)c(N)nc3	156
+Cc1cc(ccc1)CC(N2CCc3c2ccc(-c4c5c(n(CC)n4)ncnc5N)c3)=O	918
+c1cc(ccc1)C(CNC(CO)=O)Nc2cncc(-c3ccc4c(c3)c(F)[nH]n4)c2	156
+FC(F)(F)C1=C(C(N(C(c2cc(-c3ccc4cc([nH]c4c3)C(=O)OCC)ccc2)=C1)Cc5c(cc(cc5)C)C)=O)C#N	803
+O=S(=O)(c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1)N	156
+C[Si](C)(C)CCOCn1c2c(nc1C)cc(-c3cc4c(ncnc4cc3)N5CCCc6ccccc56)cn2	8070
+CC(C)(C)OC(NC1CCCN(c2ccnc3c2cc(cc3)-c4nccc(OCc5ccccc5)n4)C1)=O	261
+c1c2c(cn[nH]2)cc(-c3c(nc(CC)[nH]3)-c4cc(c(cc4)F)C)c1	1715
+c1cc(ccc1-c2c(CC)c(cnc2N)-c3cc4c(cn(C)n4)cc3)O	8071
+c1c(ncc(-c2c(c(Cl)cc(C(C)O)c2OC)C)c1)C#N	391
+O(C)c1c(OC)ccc(-c2nn3c(-c4ccc(C#N)nc4)cnc3s2)c1	2921
+CC(C)(C)OC(NC(c1ccc(-c2nn3c(nnc3cc2)COc4ccnc5cc(OC)ccc45)cc1Cl)C)=O	746
+c1c(ncc(c1)-c2ccc(cn2)C#N)C(=O)OC	1797
+C1CCCCC1NC(C2(CC2)c3ccc(-c4ccc(C(NCC)=O)nc4)cc3F)=O	156
+O=S1(=O)CCC(=CC1)c2cc(C)c(cc2)-c3csc4ccc(CO)cc34	1402
+CC(C)(C)S(=O)(=O)Cc1cc(ccc1Cl)-c2ccc(cc2OCCCOC)CCC(OCC)=O	1049
+Cc1cc(cc(C)c1-c2ccc(F)c(COc3ncc4c(CC5C(C(OCC)=O)C45)c3)c2)OCC6(CCOCC6)F	99
+CN(C)CCn1cc(-c2cc(OC)c(N)cc2)cn1	2029
+c1cc(ccc1)[Si](c2ccccc2)(OCCn3cc(cn3)-c4cc(OC)c(N)cc4)C(C)(C)C	2029
+c12c(CC3C(CNC(C)=O)OC(=O)N13)cc(-c4ccc(nc4)N5C(=O)OCC5)cc2	391
+c1cc(ccc1S(=O)(=O)C)N2CC(c3nnc(C)n3-c4ccc(-c5ccc(O)nc5)cc24)C	391
+O=Cc1cc(-c2ccc(nc2)OCC)ccc1-c3c(ccc(CC(=O)OCC)c3)OC	391
+C(#N)c1ccccc1-c2c(ccc(-c3c4ccc(-c5nccs5)nc4ncc3)c2)F	4390
+C1CCN(C1)c2c(C#N)cc(cc2)-c3nc(Cl)ncc3	379
+O(c1cc(cc(OC)c1)CCc2nc3cc(-c4ccc(N5CCN(CC5)C)c(C#N)c4)[nH]c3nc2)C	8072
+n1cc(-c2cc(Cl)c(cc2)C#N)cc(N)c1	156
+FC(F)(F)c1cc(S(=O)(=O)NC)c(cc1)-c2cc(c(-c3cnc(nc3)N)cc2)F	99
+n1cc(cnc1N)-c2ccc(cc2F)-c3ccccc3Oc4ncc(N)cc4	99
+n1(c(-c2ccc(-c3c(C)cnc(OC)c3C)cc2F)c(cn1)C(=O)OCC)C4COCC4	4423
+c1ccccc1-c2nc(C3CN(CCO3)c4cc(nc(N)n4)-c5cc(c(C#N)cc5)F)[nH]c2	379
+CC(C)(C)OC(=O)NCc1c(F)cc(cc1)-c2cc(Cl)nc(c2)Cl	4423
+n1(ncc2c1cncc2-c3cc(c(N)cc3)F)CCOC	8073
+Cc1c(-c2csc(n2)Nc3c(ccc(-c4n(cnc4)C)c3)OC)sc(C)n1	1715
+c1cc(ccc1-n2cccn2)-c3ccc(cc3)-c4nc5c(NC(=O)C5)cc4Cl	245
+c1cc(ccc1C2(CC2)C(=O)OC)-c3ccc(cc3)-c4cnn(C)c4N	1122
+c1cc(ccc1-c2cnn(C)c2N)-c3ccc(cc3)C4(CC4)C(=O)OCC	1122
+c1cc(ccc1-c2c(cccn2)C(O)CCCc3ccccc3)-c4ccc(cc4)C5(CC5)CC(=O)OCC	245
+c1cc(ccc1-c2ccsc2C(O)CCCc3ccccc3)-c4ccc(cc4)C5(CC5)CC(=O)OCC	1402
+c1cc(ccc1-c2cncc3ccc(NS(=O)(=O)c4ccccc4)cc23)-c5cnn(C)c5	4397
+c1cc(ccc1CNC(=O)c2ccc3c(c(cnc3)-c4ccc(cc4)-c5cnn(C)c5)n2)OC	4422
+c1cc(ccc1-c2nc(Nc3nc(ccc3)C)sc2)-c4cnc(N(C)C)cc4	156
+c1ccccc1-c2nc(nc(-c3ccccc3)n2)-c4ccc(cc4)-c5nc(C)cc(C)n5	2079
+c1cc(ccc1-c2cnc3cnc(cn23)C(N(C)c4ccc(cc4)C#N)=O)-c5oc(nn5)NC	2193
+C1CC(CCN1C(=O)C2CC2)(O)CN3C(c4c(N=C3)n(-c5ccc(cc5)-c6cnc(cc6)N7CCC(C7)O)nc4)=O	156
+c1cc(ccc1-n2c3ncncc3cn2)O	8074
+O=S(=O)(C(CCN1C=C(F)C(c2ccc(cc2)-n3nccn3)=CC1=O)(C)C(OCC)=O)C	4424
+c1cc(ccc1C#N)-c2sc(Nc3cccc(c3)NS(=O)(=O)C)nc2	836
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(Nc3cc(ccn3)C(F)(F)F)=O	330
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(=O)Nc3nccc(C)c3	330
+c1cc(ccc1C(NC2CC2)=O)-c3cnc4c(SC)nc(C(N)=O)cn34	2193
+c1ccccc1COC(N2C(c3n4c(c(ncc4)N)c(n3)-c5ccc(cc5)C(=O)Nc6nccc(C)c6)CCC2)=O	1729
+c1ccccc1COC(N2C(c3n4c(c(ncc4)N)c(n3)-c5ccc(cc5)C(Nc6nccc(CC)c6)=O)CCC2)=O	1729
+c1cc(ccc1-c2c3ccccc3c(nn2)O)C(C)C(=O)OCC	746
+FC(F)(F)C(O)c1ccc(cc1)-c2ccc(cc2)C(C(=O)N)C	99
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)(C)CN	51
+CC(C)(CC1(CCN(C(O1)=O)C(C)c2ccc(cc2)-c3nnc(C)cc3)c4ccccc4)C#N	746
+CC(C)(CC1(CC(N(C(C)c2ccc(cc2)-c3ccc(O)nc3)CC1)=O)c4ccccc4)O	156
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)F)C#N	99
+c1cc(ccc1)C(N2c3c(ncc(-c4ccc(cc4)C(NCCN(C)C)=O)c3)NCC2)=O	1642
+FC(F)(F)c1n2CCC(c3nc(-c4ccc(cc4)C(=O)Nc5cc(ccn5)C(F)(F)F)c6n3ccnc6N)Cc2nn1	1729
+CC(C)(C)OC(=O)NNC(C1(CC1)c2ccc(cc2)-c3ncc(C#N)cc3)=O	362
+C1CC1(C(=O)OC)c2ccc(cc2)-c3ccc(c(OC)c3)-n4nnc(c4NC(OC(C)c5ccccc5)=O)C	99
+c1ccccc1C2C(C2)C(Nc3c(-c4ccc(cc4)-c5ccc(cc5)C6(CC6)C(=O)OCC)onc3C)C	99
+c1cc(ccc1)CCNC(=O)c2c(noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)C	99
+c1cc(ccc1F)C=CC(F)(F)C(O)c2c(C)noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC	99
+c1cc(ccc1C2(CC2)C(=O)OCC)-c3ccc(cc3)-c4onc(C)c4C(CC=C)O	99
+c1ccccc1C(C)CNCc2c(noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)C	99
+c1cc(ccc1C2(CC2)C(=O)OCC)-c3ccc(cc3)-c4c(NC(CCc5c(Cl)cccc5)C)c(no4)C	99
+c1ccccc1COC(Cc2c(C)noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)=O	99
+c1cc(ccc1-c2onc(C)c2C(O)c3cn(nn3)Cc4c(Cl)cccc4F)-c5ccc(cc5)C6(CC6)C(=O)OCC	99
+c1cc(ccc1-c2c(CCO)c(no2)C)-c3ccc(cc3)C4(CC4)C(=O)OCC	99
+c1cc(ccc1C2(CC2)C(OCC)=O)-c3ccc(cc3)Br	756
+c1cc(ccc1-c2ccc(cc2)C3(CC3)CC(OCC)=O)Br	756
+CC(C)(C)OC(=O)NC1(CC1)c2ccc(cc2)-c3c(-c4ccccc4)nc5-c6ccccc6Nc7ncccc7-n35	1715
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(-c4ccccc4)c5c(N=C(SC)N(C)C5=O)o3	8075
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3nc4n(cc3-c5ccccc5)nc6ccc(F)cc46	8076
+c1cc(ccc1C23CCC(CC2)(OC3)CC(OC)=O)-c4ncc(N)cc4	245
+c1cc(ccc1C=2N(C(c3cnn(-c4cc(ccc4)C#N)c3N=2)=O)c5ccc(cc5)Cl)-c6cnc(cc6)N	156
+c1cc(ccc1-c2ccc(cn2)Br)C3CCC(CC3)CC(=O)OC	245
+C1CC(CCC1CC(=O)OC)c2ccc(cc2)-c3cnc(nc3)Nc4cc(ccc4)F	1207
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3ccc(nc3)C#N)=O	156
+c1cc(ccc1C2=NOC(=O)N2)-c3n4c(nc3)ccc(NCCCC)n4	8077
+CC(C)(C)c1onc(NC(=O)Cc2ccc(cc2)-c3cnc(c(F)c3)N)c1	156
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3cc(C)c(cc3)C#N)C(=O)N)=O	99
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)-c4c(F)cncn4)=O	379
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)-c4cc(C)ncn4)=O	379
+c1cc(ccc1CC(=O)O)-c2nccnc2Cl	1728
+c1cc(ccc1CC(OCC)=O)-c2c(C)cc(cc2)-c3onc(C)c3NC(OC(c4c(F)cccc4)C)=O	99
+c1cc(ccc1CC(=O)OCC)-c2nnc(O)c3ccccc23	746
+c1cc(ccc1CCC#N)-c2c3c4c(scc4)c(O)nc3ccc2OC	492
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCC(S(=O)(=O)C)(C(=O)O)C	3
+c1cc(ccc1CCC(C(OCC)=O)(C)S(=O)(=O)C)B(O)O	1050
+c1ccccc1-c2ccc(cc2)CCC(C(=O)NOC3CCCCO3)(S(=O)(=O)C)C	99
+c1cc(ccc1CCN2CCOCC2)-c3cc(S(=O)(=O)n4ccc(C=CC(=O)NOC5OCCCC5)c4)ccc3	99
+c1cc(ccc1CN2CCN(CC2)C)-c3cc4c([nH]c(C)c4-c5csc(N)n5)nc3	156
+c1cc(ccc1Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC)B(O)O	1050
+C[Si](C)(C)CCOCn1nc(c2c1-c3cc(sc3C2)-c4ccc(cc4)F)-c5ccc(cc5)OC	3212
+CC(C)(C)OC(=O)NC1CN(CC1)C(=O)CN(C(C=Cc2ccccc2)=O)c3ccc(cc3)B(O)O	1050
+CC(C)(C)OC(N(c1ccc(cc1)-c2cn3c(nc(-c4cc(ccc4Cl)N)c3)nc2)C)=O	1207
+C1CN(CCN1c2ccc(cc2)-c3cc4c(nc3)[nH]c5cnc(cc45)CO)C	156
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)-c3c4c5c(scc5)c(O)nc4ccc3OC)=O	492
+CC(C)(C)OC(N1C2CC(=CC1CC2)c3ccc(cc3)N4CCN(CC4)S(=O)(=O)C)=O	2924
+C1CN(CCN1)c2ccc(cc2)-c3cccc4c3-c5nc(N)nc(-c6ccc(cc6)F)c5C4=O	1049
+c1(F)cccc(F)c1-n2nc(c3c(nccc23)OC)-c4ccc(cc4)N5CCOCC5	2925
+FC1(F)CCN(CC1)c2nc(C3C(C(=O)OC)CCCC3)c(-c4ccc(cc4)N5CCS(=O)(=O)CC5)s2	836
+c1cc(ccc1-c2ncc3N(C(=O)C4COCCN4c3n2)C5CCc6ccc(Cl)cc56)NC(=O)NC	261
+c1cc(ccc1NC(=O)NC2COC2)-c3nc(c4c(C(C)(C)OC4)n3)N5C(C)COCC5	261
+O=S(=O)(c1ccc(cc1-c2nc(N3C(C)COCC3)nc(-c4ccc(cc4)NC(NCCF)=O)c2)F)C	379
+c1cc(ccc1-c2nc(CO)cc(n2)N3C(C)COCC3)NC(=O)Nc4nocc4	261
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2nc(N3CCOCC3C)cc(n2)CS(=O)(=O)c4ccccc4	261
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2c(c3c(ncc(Cl)c3)[nH]2)-c4cncnc4	4425
+FC(F)(F)Oc1ccc(cc1)-n2nc(nc2)-c3ccc(cc3)NC(OC4C(C(OCC)C(C(O4)C)OC)OC)=O	8078
+c1ccccc1N2C(=O)C(=C(N2CC(C)(C)O)C)C(Nc3ccc(cc3)-c4cccc5c(nccc45)NCCN(C)C)=O	99
+C1CC1NC(Nc2ccc(cc2)-c3nc(CN(C)C)cc(N4C5COCC4CC5)n3)=O	261
+c1cc(ccc1-c2nccc(N3CCOCC3C)n2)NC(NCCO)=O	261
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3cnc(C#N)c(n3)Cl	1728
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3nc(Cl)c(nc3)C(=O)C	1728
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCC(OCC)=O	52
+c1cc(ccc1-c2ccc3c(c(ccc3)C(=O)OC)c2)O	1049
+c1cc(ccc1O)-c2cc3cnc(C(OC)=O)cc3cc2	1049
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3cccc(F)c3	472
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCc3c(onc3-c4c(cccc4Cl)Cl)C(C)C	1411
+c1cc(ccc1-c2nc(c3cccc(C#N)c3c2)O)O	362
+c1cc(ccc1O)-c2ccc3c(ccnc3c2)C(=O)OC	492
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCc3c(oc(C(=O)OC)c3)C	20
+c1cc(ccc1-c2ccc(OC)cc2[N+](=O)[O-])OC	99
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCO	44
+C1CC(CCC1OC2OCCCC2)COc3ccc(cc3)C4=CC(N(CCC(C)(S(=O)(=O)C)C(OCC)=O)C=C4F)=O	4424
+c1cc(ccc1OCCN2CCN(CC2)C)-c3cccc(S(=O)(=O)n4ccc(C=CC(=O)NOC5OCCCC5)c4)c3	99
+c1cc(ccc1-c2cc(c(N)nc2)OCc3c(Cl)cccc3Cl)OCCN4CCOCC4	156
+c1cc(ccc1-c2ccc(cc2CC)C(=O)O)OCCNC(C(O)c3ccc(cc3)O)C	99
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCOS(=O)(=O)C	7
+c1cc(ccc1-c2cncc(c2Nc3ccc4c(c3C)cc[nH]4)C#N)OCCOC	1642
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCNC(C(O)c3ccc(cc3)O)C	285
+n1cccnc1-c2ccc(cc2)OCc3c(oc(C(=O)OC)c3)C	8079
+c1cc(ccc1OCc2c(C(C)C)onc2-c3c(cccc3Cl)Cl)-c4ccc5nc(C)c(cc5c4)C(OCC)=O	99
+c1cc(ccc1OCc2ccccc2)C3=C(OC(C)(C)C3=O)c4ccc(cc4)C#N	8080
+FC(F)(F)c1cc(ccc1C#N)Oc2ccc(cc2)-c3nc(cc(C=C)n3)C(O)=O	261
+c1cc(ccc1F)Oc2ccc(cc2)-c3cc(cc(n3)NC(C)C(OC)=O)Cl	362
+c1cc(ccc1Oc2ccc(cc2)-c3nc(cc(N(S(=O)(=O)C)CC4COC(C)(C)O4)n3)C(=O)N)F	261
+C1C(C(CN1c2cc(nc(-c3ccc(cc3)Oc4ccc(cc4)F)n2)C(N)=O)O)O	261
+c1cc(ccc1Oc2ccc(cc2)-c3nc(C(=O)N)cc(n3)NCC(O)C(N)=O)F	261
+c1cc(ccc1-c2ncccc2)Oc3n(c4C(N(C(N(C)c4n3)=O)C)=O)Cc5cccc(OC)c5	245
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(O)(O)=O	1560
+c1cc(ccc1-c2[nH]c3c(cc(cn3)NC(=O)c4c(C)c(C)[nH]n4)c2)P(C)(C)=O	4425
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(=O)(O)OC	1560
+c1cc(ccc1S(=O)(=O)C2CCOCC2)-c3nc(c(nc3)N)C#Cc4cccc(c4)O	1368
+c1cc(ccc1S(=O)(=O)N)-c2nn(C3CCOCC3)c4ccnc(OC)c24	2925
+c1cc(ccc1-c2cn(C(COC)CC)c3ccnc(c23)OC)S(=O)(=O)N	8081
+c1cc(ccc1-c2cc3c(c(ncn3)Nc4cc(CC(=O)Nc5cccc(c5)F)[nH]n4)cc2)S(=O)(=O)N6CCC(F)C6	492
+C1CC1NS(=O)(=O)c2ccc(cc2)-c3cnc(N)cc3	156
+FC(F)(F)C(C)(O)c1cnc(nc1)-c2ccc(cc2)S(=O)(=O)c3ccc(N)nc3	261
+CC(C)(C)Sc1ccc(cc1)-c2c(OC)cc(-c3cc(ccc3OC)OC)c(OC)c2	99
+FC(F)(F)c1cccc(NC(c2cc(c(c(I)c2)C)-c3ccc(cc3)[N+](=O)[O-])=O)c1	4394
+C1C(CC1=O)(c2ccc(cc2)OCc3cc4c(-c5ccc(OCCOCC)cc5C)csc4cc3)CC(OCC)=O	1402
+n1ccc(-c2cnc(cc2)F)cc1NC(NCC)=O	4372
+n1cc(-c2cn3cc(OC)ccc3n2)ccc1F	8082
+C1CC(CCC1C(OCC)=O)Oc2ccc(cn2)-c3ncc(N)cc3	1797
+CC(C)(C)OC(=O)N1CCc2c(cc(cc2)-c3c(cccn3)OCc4cc(C)ccn4)CC1	245
+CC(C)(C)OC(N1CCc2cc(-c3c(C#N)c(F)ccc3)ccc12)=O	756
+c1cc(ccc1)-c2nc(-c3ccc4N(CCc4c3)C)c(C(CCC)C(=O)OC)c(C)n2	379
+Clc1ccc(c(Cl)c1)CCNc2nc(nc(-c3cc4CC(N(C)c4cc3)C(OCC)=O)c2)OC	379
+n1cc(c2CCCC(c2c1)N)-c3cc4CCC(N(c4cc3)C)=O	156
+n1cc(c2CCCC(O)c2c1)-c3cc4CCC(N(c4cc3)C)=O	156
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cncc(c3)NC(Cc4ccccc4)=O	156
+c1(Cl)cccc(Cl)c1COc2cc(-c3ccc4c(c3)cc(C(=O)OCC)[nH]4)cnc2N	156
+c1cc(ccc1N2C(=NNC2=O)CC3CCN(C3)C(=O)C4CC4)-c5ccc6occc6c5	99
+O=S(=O)(C)Cc1nc(-c2cc3c(n(S(=O)(=O)c4ccc(cc4)C)nc3C)cc2)nc(N5CCOCC5)c1	261
+c1cc(ccc1)-n2c3c(ccc(c3)-c4cc5c(oc(-c6ccc(cc6)F)c5C(NC)=O)cc4N7CCCC7=O)nc2	803
+c1n(c2c(cc(cn2)-c3ccoc3)n1)-c4cccc(-c5c(scc5)C#N)c4	1402
+c1c(F)c(c(cc1)F)N2C(C=Cc3c2nc(NCCCN(CC)CC)nc3-c4cccc(C(O)=O)c4)=O	379
+FC(F)(F)c1cc(-c2nc(CN3CCC(F)(F)CC3)c4ccccn24)ccc1	8083
+c1cnccc1-c2c(cn(CC)n2)-c3cccc(N)c3	1122
+c1(n(nc(c1)NC2=CC(c3cccc(c3COC(=O)C)N4CCc5c6c(sc5C4=O)CCCC6)=CN(C)C2=O)C)COC	4426
+CC1(C)C(C)(C)OB(O1)c2cccc(c2C)N3C(C=C4C(Cl)=CC=CN4C3=O)=O	8084
+CC1(C)OB(OC1(C)C)c2c(CC)c(OCCCC(=O)OCC)ccc2	8
+CC(C)c1cccc(C(C)C)c1-n2c3ccccc3nc2-c4cc(-c5ccc6oc7cccc(OC)c7c6n5)ccc4	1592
+FC(F)(F)COCc1cccc(-c2n(nc(N)c2)-c3ccccc3)c1	1016
+FC(F)(F)COCc1cccc(c1)-c2cc(N)nn2-c3ccc(cc3)F	1016
+C1CN(CCC1=O)c2cccc(-c3ccnc(Cl)n3)c2	379
+c1cc(ccc1-c2cccc(c2)NC)CC(OCc3ccccc3)C(=O)OC	99
+O=S(=O)(c1ccc(cc1)C)Nc2cccc(-c3nn4c(nc(c4)NC(C)=O)cc3)c2	746
+c1(cccc(F)c1N2C(=O)C=Cc3c2nc(nc3-c4c(C)c(C(=O)O)ccc4)NCCCN(CC)CC)F	379
+CC(C)(C)c1ccc(cc1)C(Nc2c(c(ccc2)C=3N=C(Nc4ccc(cc4)CCO)C(N(C=3)C)=O)C)=O	8085
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2C)C3=CN(C(=O)C(=C3)Nc4ccc(cc4)C(OCC)=O)C	4426
+FC(F)(F)C1(Cc2cc(-c3cccc(c3F)[N+]([O-])=O)ccc2O1)c4cc(Cl)cc(Cl)c4	756
+Clc1cccc(c1)-c2c3c([nH]cc3)ccc2	803
+c1cc(F)cc(-c2c3c([nH]cc3)ccc2)c1	803
+c12c(N)cc(-c3c4cc[nH]c4ccc3)cc1n[nH]c2	4427
+c1cc(ccc1Cl)-c2cccc3[nH]ccc23	803
+c1cc(ccc1-c2c3cc[nH]c3ccc2)F	803
+c1cc(ccc1S(=O)(=O)n2ncc3c2cc(-c4c5c(ccc4)[nH]cc5)cc3-c6oc(CN7CCOCC7)nn6)C	4427
+COc1c(c(c(Cl)cc1C(C)O)C)-c2cc(C#N)ncc2	1802
+O=S(=O)(N1CCN(CC1)Cc2cc3c(o2)C(c4cc(ncc4)NC(c5ccccc5)C)=CN(C)C3=O)C	2710
+FC(F)(F)c1ccc(cc1)-c2cnc3ccc(-c4n(ncc4)-c5ccc(cc5)Cl)cn23	2928
+FC(F)(F)C1(c2c(-c3c(-c4cnn(C(C)(C)C(OCC)=O)c4)cc(cc13)OCC(C)O)cccc2)O	8086
+c1cc(ccc1)COC(=O)N2CC(CC2)Cn3c4c(cc3)cc(-c5cnn(C6CCCCO6)c5)cc4	320
+c1cc(ccc1C)S(=O)(=O)n2ccc3nc(-c4cn(nc4)C5CCCCO5)ccc23	4428
+c1cc(ccc1)COCC(F)(F)Cn2cc(cn2)-c3ccc(N)c(C(=O)NC)n3	1864
+c12cnc(-c3cnn(c3)CCC4CCCCN4C)cc1c5cc(cnc5[nH]2)OC	2933
+c1cc(ccc1C)S(=O)(=O)n2c3ncc(F)cc3c(-c4nc(c(cn4)F)SC)c2	1344
+CC(C)(C)OC(n1ncc(C=2c3cc(OC)c(cc3C(N(CC)C=2)=O)OC)c1)=O	8087
+CC(C)(C)OC(n1ncc(c1)-c2cccc(C(=O)OC)n2)=O	1864
+CC(C)(C)OC(=O)n1cc(-c2ccc3c(CCC(C)N3C(C4CC4)=O)c2Oc5ccccc5)cn1	320
+CC(C)(C)OC(N1CC(C1)(CCF)n2cc(cn2)-c3nc(-c4cnn(C)c4)cc5nccn35)=O	4420
+CC(C)(Cn1cc(-c2cn3ncc(c(c3c2)NC4CN(c5ccc(cn5)C#N)CC4C)C(=O)N)cn1)O	8088
+c1cc(ccn1)Cn2ncnc2-c3sc4CCOc5c(-c4n3)ccc(c5)-c6cn(nc6)CC(C)(C)O	320
+CC(C)(Cn1cc(-c2ccnc(Cl)n2)cn1)O	2194
+C(C)N(CC)C(=O)c1cc(ccc1N)-c2cn(CCCO)nc2	320
+CC1(C)OB(OC1(C)C)c2cn(nc2)CCCO	118
+c1nc(C)c(cc1-c2cc3c(cc2)ncc4N(C)C(=O)N(c34)c5cn(C)nc5C)N(CC)C	391
+ClC(Cl)C(NC(C(O)c1ccc(cc1)-c2ccc(CCC#N)nc2)CF)=O	4429
+FC(F)Oc1cccc(c1)S(=O)(=O)Nc2c(ncc(c2)-c3nn4c(nc(c4)NC(C)=O)cc3)Cl	1633
+C1CN(CCN1C)c2ncc(-c3cnc4NCCN(c4c3)S(=O)(=O)c5c(cccc5)Cl)cc2	2711
+CC(C)c1onc(N2CCN(CC2)c3ncc(-c4ccc(N5C(N(C)N=C5)=O)c(c4)F)cc3C#N)n1	391
+c1cc(ccc1C2CCC(c3ccc(cc3)[N+]([O-])=O)N2c4ccc(cc4)-c5ccc(N6CCOCC6)nc5)[N+]([O-])=O	391
+CC1(C)OB(OC1(C)C)C=2C=CC(N(C)C=2)=O	8089
+O=S(=O)(c1nc(cc(n1)-c2cnc(N)c(Cc3ccccn3)c2)N4C5CC(C4)OC5)C	2788
+Cn1nnc(n1)-c2ncc(-c3cc4c(cc3)N5C(C4)C(CNC(C)=O)OC5=O)cc2	391
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(-c3cnc(nc3)N)cn2	3905
+CC(C)(C)OC(N1CCN(CC1)c2ncc(-c3nc(OC(C4CNC(=O)C4)C)c5c(c3)ncn5C)cc2)=O	4401
+O(c1ccnc(-c2oc(nc2)C)c1)c3cnc(cc3)[N+]([O-])=O	8090
+CN(C)C(Cc1cc(cnc1)-c2cnc3N(C(=O)N)CCCc3c2)=O	907
+C1CCCC(n2cc(-c3nc(SC)ncc3)c(-c4cc5cc[nH]c5nc4)n2)O1	8091
+c1(C(NCC)=O)ncc(-c2cc3cc[nH]c3nc2)cc1	907
+CC1(C)OCC(CO1)c2cc(cnc2)-c3nc4cccc(-c5ccccc5)c4c(NCc6ncccc6)n3	1323
+O=S(=O)(c1ccccc1)Nc2cncc(-c3ccc4c(c(Oc5cnccc5)ncn4)n3)c2	3718
+O=S(=O)(c1cc(cnc1)-c2c(c(C(=O)C)cc(Cl)c2F)O)C	4429
+CC(C)(C)NS(=O)(=O)c1cncc(-c2c3c(c(ccc3)-c4ccccc4)c(Cl)nn2)c1	1633
+CC(C)(C)OC(=O)N1CCC(CC1)(Cn2cc(cn2)-c3cnc(c(OC(C)c4c(ccc(F)c4Cl)Cl)c3)N)O	8092
+CC(C)(C)OC(=O)NCCCCCn1ncc(-c2ncc3[nH]c4ncc(OC)cc4c3c2)c1	2933
+n1n(cc(-c2cc3c(cc2)N(C(C)CC3N)C(=O)C)c1)CCOC	320
+c1ccccc1COC(=O)NC2c3cc(-c4cn(nc4)CCOC)ccc3N(C(=O)C)C(C2C)C5CC5	320
+O=S(=O)(C1CC1)n2cc(cn2)-c3nc(N)ccn3	8093
+CN(C)CCNC(=O)Cn1cc(-c2ncc3[nH]c4ncc(OC)cc4c3c2)cn1	2933
+CC1(C)OB(OC1(C)C)c2cnn(c2)CC(=O)NCCN(C)C	271
+C1C(CC1)(Cn2ncc(c2)-c3nc4c(cc3)cnc(c4)Br)O	4428
+c1(C)c(n(C)nc1)-c2cc(C(=O)OC)sc2Cl	1730
+c1cc(ccc1)-n2c(C=3C(=O)C(OC)=CN(Cc4ccccc4)N=3)ccn2	8094
+CC1(C)Cc2ccc(cc2B(O)O1)[N+](=O)[O-]	8095
+CC1(C)c2c(cc(cc2)C=O)B(O)O1	2196
+CC1(C)OC(C(O1)=O)=CC(=O)N(OC)Cc2cc(c(cc2)C)F	2934
+CC1(C)OC(C(O1)=O)=CC(=O)N(OC)Cc2cc(F)ccc2	2934
+c1cc(ccc1F)CN(C(C=C2OC(C)(C)OC2=O)=O)OC	2934
+c1cc(c2nccc(c2c1OC)O)Br	2197
+C(C(CCCCCCCCC)=O)C(=O)OCC	8096
+c12cc(OC)cc(OC)c1c(O)ccn2	2197
+c1cc(ccc1)Oc2c3ccc(OC)cc3ncc2	8097
+c1ccccc1COc2cc3nccc(O)c3cc2	2197
+c1[nH]c2c(c1CCC(OCC)=O)c(C)c(cc2)[N+]([O-])=O	2198
+CC1(C)OC(=O)Nc2c1cc(-c3n(c(cc3)C#N)CC(NCCc4ccc(OC)c(OCC)c4)=O)cc2	9
+CC1(C)OC(=S)Nc2ccc(cc12)Br	4430
+O=S(=O)(C)ON=C(C1C(C)(C)OC(C)(C)O1)Cl	8098
+c1cc(ccc1C(=O)NCC(O)C2COC(C)(C)O2)S(=O)(=O)Nc3c(F)cc(cc3F)F	14
+O=C(C(CC(=O)N(Cc1cccc(F)c1)OC)=O)OC	2935
+C1CC1c2ccc(Br)cc2C3OC34C(=O)C(C)(C)OC4(C)C	3778
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(-c3ccc(cc3Cl)Cl)ccc2C4CC4	3781
+c1c(C)nn(CC(c2c(O)cc(nc2C)C)=O)c1C	8099
+CC(C)(c1ccc(cc1)O)c2ccc(cc2)OCC3OC(C)(C)OC3	72
+CC1(C)OCC(Cn2c(COCC)nc3cnc4cc(Br)ccc4c23)O1	546
+CC1(C)OCC(CCOc2c([N+](=O)[O-])c(Nc3ccc(I)cc3F)cc(F)c2)O1	57
+CC1(C)OC(CO1)CN2C=C(C(c3c2sc(c3)CCl)=O)C(NCc4ccc(cc4)Cl)=O	1732
+CC1(C)OC(CO1)CN2c3c(C(C(C(NCc4ccc(cc4)Cl)=O)=C2)=O)cc(CN(CC(c5ncccc5)O)C)s3	822
+c1cc(ccc1Cl)CNC(=O)C2=CN(c3c(C2=O)cc(CN(CC(c4ncccc4)O)C)s3)CC(O)CO	265
+CC1(C)OC(CNc2c(cnc3cc(ccc23)Br)N)CO1	13
+c1c(I)cc(c(Nc2c(c3c(ocn3)cc2C(NOCC(CO)O)=O)F)c1)F	265
+c1c(I)cc(c(Nc2c(F)c3nnsc3cc2C(NOCC(CO)O)=O)c1)F	265
+c1cc(c(F)c(Nc2ccc(I)cc2F)c1C(=O)NOCC(CO)O)F	265
+C(c1c(cccc1)OC)C(CO)O	265
+CC1(C)OC(Cn2c(C)c(I)cn2)CO1	8100
+CC(C)CC(C(Nc1nn(cc1)CC(CO)O)=O)N2CC(=CC2=O)Oc3cccc4c3cccc4	265
+CC1(C)OC(COc2ccn3c(ncc3C(OCC)=O)c2)CO1	2936
+c1ccc(c2c(C)nn(Cc3cccc(C)n3)c12)NC(c4cnc5cc(ccn45)OCC(CO)O)=O	265
+CC1(C)OC(COc2cc3ncc(C(Nc4c5c(ccc4)n(nc5C)Cc6cccc(C)n6)=O)n3cc2)CO1	466
+CC1(C)OC(COc2ccn3c(c2)ncc3C(=O)O)CO1	6
+c1cc(ccc1)Cc2cnc(nc2)N3CCN(CC3)c4nc(ncn4)Nc5cnn(c5)CC6COC(C)(C)O6	4170
+CC1(C)OC(Cn2ncc(N)c2)CO1	209
+c1ccccc1C2C(C)(C)OC(N2c3ccc(cc3)N4C(C=CC(c5ncccn5)=C4)=O)=O	8101
+CC1(C)c2c(ccc(-c3cc(cc(C#N)c3)F)c2)NC(O1)=O	160
+CC(C)(CCCC1(C(C1)CO)C)O	3636
+FC(F)(F)c1c(ccc(NC(NCCCN(CC2C3C(C(n4c5ncnc(c5nc4)N)O2)OC(C)(C)O3)C(C)C)=O)c1)Cl	282
+CC1(C)OC2C(C(OC2CN(C(C)C)CCCN)n3c4ncnc(c4nc3)N)O1	45
+CC1(C)OC2C(C(n3cnc4c(N)ncnc34)OC2CN(C)CCC(C)(C)N)O1	102
+CC1(C)N(C2C(O1)CCCC2)c3sc4c(n3)ccc(CN)c4	107
+CC1(C)OC2CCCCC2N1c3nc4ccc(cc4s3)CNc5c(c(Cl)ncn5)N	193
+CC1(C)OC2CCCCC2N1c3nc4ccc(CNc5ncncc5N)cc4s3	511
+c1(F)cc(cc(F)c1C2=CCN(CC2)C(=O)C3OC(C)(C)OC3)N4CC(OC4=O)COC(C)=O	2046
+CC(C)CC1N(C(c2cc(-c3ccc(cc3)Cl)c(Cl)nc2)=O)C(C)(C)OC1	89
+CC1(C)OCC(CCN)O1	18
+CC1(C)CNC(CO1)CCO	25
+c1ccccc1-c2cccc3nc(-c4cncc(C(CO)CO)c4)nc(NCc5ncccc5)c23	1192
+OCC(CO)c1ccc(cc1)Oc2ncnc(c2C)OC3CCN(CC3)c4ncccn4	1192
+CC1(C)OCC(COCCCN)O1	51
+c1cc(ccc1Br)OCc2csc3c(cnc(N)c23)C(NCCCOCC4COC(C)(C)O4)=O	8102
+FC(F)(F)c1c(cccc1)-c2nc3c(cccc3C(=O)Nc4cccc(c4)OCC5COC(C)(C)O5)[nH]2	246
+N1c2cc(c(OC)cc2CCC1=O)CC(CO)O	265
+CC1(C)OC(Cn2c3c4c(cc(Br)cc4)nc(N)c3nc2COCC)CO1	461
+CC(C)(CO)c1n(c2cc(F)c(cc2c1)NC(=O)C3(CC3)c4cc5OC(F)(F)Oc5cc4)CC6OC(C)(C)OC6	33
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC4OC(C)(C)OC4)n3	142
+O=S(=O)(OCCCC1OC(C)(C)OC1)C	7
+CC1(C)OC(CO1)CONC(=O)c2cc3snnc3c(F)c2Nc4c(F)cc(I)cc4	514
+CC1(C)OC(CO1)CONC(=O)c2c(Nc3c(F)cc(I)cc3)c(c4c(ocn4)c2)F	514
+CC1(C)OC(CO1)CONC(=O)C2=C3CCCN3C(=O)C(Cl)=C2Nc4ccc(cc4F)I	8103
+CC1(C)OC(CO1)CONC(c2c(c(F)c(F)cc2)Nc3c(F)cc(I)cc3)=O	514
+CC1(C)OCC(COc2cccc(c2)N)O1	0
+CC1(C)OCC(Cn2c3cc(F)c(cc3cc2C(C)(C)CO)N)O1	0
+CC1(C)OCC(Cn2ccc(N)n2)O1	161
+CC1(C)COC(CO1)CNc2nc(ccc2F)F	182
+FC(F)(F)c1cccc2C(N(Cc12)C(CC3CCCC3)C(=O)Nc4cnc(C5OC(C)(C)OC5)cn4)=O	1018
+FC(F)(F)c1cccc2c1CN(C(CCSC)C(=O)Nc3ncc(C4OC(C)(C)OC4)nc3)C2=O	1018
+CC1(C)OCCC(C=O)C1	24
+CC1(C)OCCC(CNc2cc(c(nc2)Cl)Br)C1	839
+CC1(C)CC(CNc2cnc(c(-c3cc(ncc3Cl)F)c2)Cl)CCO1	3218
+CC1(C)C=2N(C(C(OCc3ccccc3)=C(C(=O)OCC)N=2)=O)CCO1	3850
+c1ccccc1COc2c3c(COC(C)(C)O3)cc(F)c2	22
+C1CCN(C1)c2nc3sc4c(c3c5c2COC(C)(C)C5)ncnc4O	8104
+O=S(=O)(OCCOCCCCCCN1CC(OC1=O)c2cc3c(cc2)OC(C)(C)OC3)C	7
+Clc1cccc(Cl)c1COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4	149
+c1cc(ccc1Br)COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4	149
+CC1(C)Oc2cccc(CCOS(=O)(=O)C)c2CO1	7
+CC1(C)OCc2c(nc(nc12)Cl)N3CCOCC3C	54
+CC1(C)Oc2c(CO1)cc(C(CNCCCCCCOCCCCc3cc(ccc3)NC(=O)Nc4ccccc4)O)cc2	132
+CC1(C)ON=C(c2cnc(SC)c(Cl)c2)C1	1272
+CC1(C)C=C(C(C)C)c2cc(C(=O)C)c(OCC)cc2O1	116
+CC1(C)CC(c2c(cc(cc2O1)C(C)(C)CCCCCC)OCc3ccccc3)C(=O)O	4431
+c1cc(ccc1C#Cc2ccc(cc2)C(=O)N(Cc3cc4C(OC(C)(C)Oc4cc3)=O)CCCCCC)CCCC	30
+CC1(C)Cc2c(O1)c(C(OCC)=O)cc(N)c2	0
+CC1(C)Cc2c(c(C)c(C)c(N3CCN(CC3)c4ccc(cc4)SC)c2C)O1	79
+CC1(C)Oc2c(c(c3oc(CC)cc3c2)CCl)C1	8105
+c1c(OC)c(c(cc1CC(c2ccc3OC(C)(C)C=Cc3c2)=O)OC)OCc4ccccc4	8106
+CC1(C)C=Cc2cc(OC)c([N+](=O)[O-])cc2O1	77
+CC1(C)C(C)=Cc2cc(Sc3cccc(c3)OC)ccc2O1	1336
+CC1(C)Oc2c(cc(cc2)F)CC1CCO	44
+CC1(C)Cc2c(c(C)c(c(Cl)c2O1)C=O)C	582
+CC1(C)Oc2c(ccc(Cl)c2C1)N=C=O	1044
+CC1(C)C(c2c(c(ccc2Cl)N=C=O)O1)=S	1044
+CC1(C)Oc2c(NC1)cc(c(F)c2)Br	15
+CC1(C)Oc2c(O1)ccc(c2)CN	817
+CC1(C)Cc2cc(C=C(C)C)cc(c2O1)OC	8107
+FC(F)(F)c1ccc(cc1)C(O)c2c(c3C(CC(C)(C)Oc3cc2C(C)C)=O)C4=CCCCC4	704
+C1CN(CCC1C(=O)OCC)CCc2c(c(ccc2)O)CO	2937
+CC1(C)Oc2cc(cc(c2C=3CN(C(OC)=N)CCC1=3)OC)C(C)C(C)CCCCC	2641
+FC(F)(F)c1cccc(C2(CC2)NC(=O)c3c4OC(C)(C)Cc4c5c(nc(Nc6c(cccc6C)Cl)[nH]5)c3)c1	14
+FC(F)(F)c1ccc(NC(c2c3c(c4c(c2)[nH]c(n4)Nc5c(cccc5Cl)C)CC(C)(C)O3)=O)nc1	8108
+CC1(C)Cc2cc(cc(C(O)=O)c2O1)-n3nnnc3	6
+CC1(C)Cc2c(ccc(C3=C(CC)N=C(CCC)N(Cc4ccc(cc4)-c5c(C#N)cccc5)C3=O)c2)O1	1100
+CN(C)C=1N(c2ccc3OC(C)(C)Cc3c2)C(C(Cc4ccc(cc4)-c5ccccc5C#N)=C(N=1)CCC)=O	8109
+C[Si](C)(C)C#Cc1cc2C(C)(C)CC(C)(C)Oc2c(C=O)c1	263
+c1cc(ccc1CN(C)C2CCOCC2)NC(C3=Cc4c(S(=O)(=O)CC3)ccc(c4)-c5ccc6OC(C)(C)CCc6c5)=O	750
+CC1(C)Oc2cc(c(Br)cc2C(=O)C1)OCC	116
+CC1(C)Oc2c(cc(cc2)F)CC1CCOS(=O)(=O)c3ccc(cc3)C	36
+CC1(C)Oc2ccc(F)cc2CC1CCN=[N+]=[N-]	254
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c3c(CC(C)(C)O3)c(cc2)Cl	8110
+CC1(C)Oc2c(C(OCC)=O)cc([N+]([O-])=O)cc2C1	31
+CC1(C)Oc2c(cccc2N)C1=S	0
+CC1(C)Oc2c(N)ccc(c2C1=S)Cl	196
+CC1(C)Oc2c(c(cc(c2)C(C)C(C)CCCCC)OC)C=3CN(C#N)CCC1=3	65
+CC1(C)CC(=O)c2cc(c(c(c2O1)Cl)OCC)Br	662
+CC1(C)OC(=O)c2ccc(cc2O1)Oc3c(cc(cc3)C=O)F	46
+CC1(C)Oc2c(O1)ccc(C=NO)c2	135
+CC1(C)Oc2ccc(F)cc2CC1CCN	18
+c1cc(ccc1C#Cc2ccc(cc2)OC)CNc3ccc4OC(C)(C)OC(=O)c4c3	208
+CC1(C)C(c2ccc(Br)cc2S1(=O)=O)O	74
+CC1(C)c2c(cc(C(C)=O)c(c2Br)OC)CCC1	65
+CC1(C)C(CC=CC)C(=O)c2c1ccc(CC)c2	4432
+CC1(C)c2c(C(C1)N)cccc2	474
+CC1(C)c2ccc([N+](=O)[O-])cc2C(=O)C1	77
+CC1(C)c2cccc(c2C(=O)N1C)N	0
+CC1(C)c2cc(C)cc(OC)c2C(C)(C)CC1	297
+CC1(C)CC(CC)C(C)(C)c2cc(C)c(C(C)=O)cc12	94
+CC1(C)c2c(C(C1)NS(=O)(=O)C)cccc2	111
+C1N(CC1Nc2cncc(N3C(c4c(cc(cc4)Cl)C3(C)C)=O)c2)C(C)=O	58
+CC1(C)CCc2c1cc(c(OC)c2)C=O	151
+CC1(C)c2c(S(=O)(=O)CC1)c(cc(c2Cl)C(C)=O)Cl	902
+CC1(C)CCSc2c(cc(c(Cl)c12)C(C)=O)C	94
+CC1(C)c2c(N(CC)C1=O)cc(c(c2)N)N	0
+CC(C)n1c(N)nc2cc3N(CCCCC)C(C(C)(C)c3cc12)=O	4039
+CCc1cccc(CC)c1NC(N2Cc3c(-c4nc5cc6C(C)(C)C(=O)N(c6cc5[nH]4)CC)[nH]nc3C2)=O	4200
+CC1(C)C(=O)N(c2cc3[nH]c(nc3cc12)N)CC	2932
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4[nH]nc5c4cc(C(=O)O)cc5)[nH]3)CC	567
+CC1(C)c2c(N(CC)C1=O)cc(c(c2)N)N	0
+CC1(C)C(=Nc2c1cc(cc2)O)C	477
+c1ccccc1S(=O)(=O)Nc2cc(C3CC(C)(C)c4c(N3)ccc(Cl)c4)ccc2	69
+CC1(C)CNc2cc(cnc12)Br	15
+CC1(C)CNc2c1cnc(c2)Cl	15
+c1ccccc1COC(NC(C(N2c3c(cccc3)C(C)(C)C2C(NCCCC)=O)=O)CC)=O	8111
+C[Si](C)(C)C#Cc1ccc2c(C(C)(C)CC(O2)=O)c1	263
+CC1(C)CCS(=O)(=O)c2c1c(c(cc2Cl)C(=O)O)Cl	2199
+CC1(C)c2c(c(cc(c2)N)C)NC(C1)=O	0
+CC1(C)c2c(CO1)c(nc(-c3ccc(cc3)Br)n2)Cl	64
+C[Si](C)(C)C#Cc1cc2C(C)(C)CCC(=O)c2c(c1)O	263
+CC1(C)CC=C(C(C)C)c2c1cc(C)c(Br)c2	252
+O=S(=O)(OCCN1C(c2cc(Br)sc2C1(C)C)=O)C	7
+c1cc(ccc1C(F)(F)C(OCC)=O)NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C	4433
+CC1(C)c2c(Br)c(OC)c(C(C)O)cc2CCC1	74
+CC1(C)c2ccc(CN)cc2B(O)O1	817
+CC1(C)OB(O)c2c1cc(c(F)c2)C=O	2196
+CC1(C)CCc2cc(c(cc12)F)O	5
+CC1(C)c2cc3c(cc2C(C)(C)C1(C)C)[nH]cn3	8112
+c1cc(ccc1NC(c2ccc3c(c2)C(C)(C)CCC3(C)C)=O)C(Nc4c(N)cccc4)=O	67
+CC1(C)c2c(cc(cc2)C(=O)Nc3ccc(cc3)C(O)=O)C(C)(C)CC1	1
+CC1(C)c2c(cc(C=NO)cc2)B(O)O1	135
+CC1(C)C(N(C)c2cc(ccc12)OC)=O	239
+CC1(C)c2c(cc3[nH]c(SCc4ccccn4)nc3c2)C(C)(C)CC1	602
+CC1(C)c2c(ccc(-c3cc(cc(C#N)c3)F)c2)NC(=S)O1	4430
+CC1(C)COc2ccc(cc12)C=O	146
+FC(F)(F)C1(CC(=NO1)c2ccc3c(C(C)(C)OB3O)c2)c4c(c(c(c(c4)Cl)F)Cl)F	1423
+FC(F)(F)C1(c2c(c(Cl)c(c(Cl)c2)Cl)Cl)CC(=NO1)c3cc4C(C)(C)OB(c4cc3)O	1423
+FC(F)(F)C1(CC(c2ccc3c(C(C)(C)OB3O)c2)=NO1)c4cc(Cl)c(c(c4)Cl)C(F)F	1423
+CC1(C)C(CC(C)(C)c2ccc(C)cc12)CCCl	221
+CC1(C)CCC(C)(C)c2c1cc(C(=O)CC)c(O)c2	94
+FC(F)(F)S(=O)(=O)Oc1ccc2c(C(C)(C)CC2=O)c1	376
+CC1(C)c2c(N=C1C)ccc(N)c2	0
+CC1(C)c2c(Cl)c(C(C)=O)cc(Cl)c2SCC1	94
+CC1(C)c2cc(ccc2-c3ccccc13)-c4cc(-c5cccc6c7c(cccc7)sc56)cc(c4)Cl	8113
+c1cc(ccc1C#Cc2cc3c(c(c2)OC(C)C)C(CCC3(C)C)=O)CC(=O)OC	129
+O=S(=O)(NC(c1ccc2c(C(C)(C)CC(N2)c3cc(C#N)ccc3)c1)=O)C	258
+CC1(C)CCC(C)(C)c2c(OC)c(c(cc12)C)C=O	502
+CC1(C)c2cc(C=O)cc(OCCOCC)c2C(C)(C)CC1	8
+CC1(C)CCC(Nc2ccc(cc12)Nc3nc(c(Cl)cn3)Nc4c(ccc([N+](=O)[O-])c4)C(=O)NC)=O	55
+CC1(C)c2c(ccc(O)c2)C(C1)=O	5
+CC1(C)CCC(C)(C)c2cc(c([N+](=O)[O-])cc12)N	0
+CC1(C)C(C)(C)C(C)(C)c2cc([N+](=O)[O-])c(N)cc12	0
+CC1(C)c2c(C(C)(C)CC1)cc(c(c2)C)-c3nc(ccc3OC)C=O	119
+CC1(C)c2cc(c(C=Cc3ccc(cc3)C(=O)O)cc2C(C)(C)CC1=O)Cn4nccc4	8114
+CC1(C)OB(O)c2c1cc(C(=NO)Cl)c(F)c2	761
+CC1(C)CCC(C)(C)c2c1cc(OCOC)c(C(CC)=C(C(OCC)=O)F)c2	2905
+CC1(C)c2cc(c(C=Cc3cc(C)c(C(O)=O)cc3)cc2C(C)(C)CC1=O)Cn4nccc4	309
+CC1(C)C(CCc2cc(C#C)c(cc12)OC)=O	1800
+CC1(C)CC(N(c2cc3[nH]c(nc3cc12)-c4[nH]nc5ccccc45)CC)=O	567
+CC1(C)COc2c(cc(C(=O)O)cc12)Br	500
+C[Si](C)(C)C#Cc1cc(C2CC2)c3c(C(C)(C)CC(C)(C)O3)c1	263
+C[Si](C)(C)C#Cc1cc(c2OC3(CC3)CC(C)(C)c2c1)C4CC4	263
+c1cc(ccc1C#Cc2cc3c(C(=O)CCC3(C)C)c(O)c2)CC(=O)OC	129
+CC1(C)c2c(cc(cc2)C(=O)Nc3ccc(cc3)C(OC)=O)C(C)(C)CC1	67
+CC1(C)c2c(cc(C(=O)Nc3ccc(cc3)I)cc2)C(C)(C)CC1	67
+CC1(C)c2cc(ccc2N=C1C)OCCCCCC(O)=O	3
+CC1(C)c2cc(-c3cc(Cl)ccc3)ccc2NC1=O	11
+c1cc(ccc1)-c2cnc3c(c2)C(C)(C)C(C)=N3	89
+c1cc(ccc1)-c2nc(nc(-c3ccccc3)n2)-n4c5ccc(cc5c6cc7-c8c(cccc8)C(C)(C)c7cc46)Br	8115
+c1cc(ccc1)-n2cnc3cc4c(cc23)C(C)(C)C(C)(C)C4(C)C	8116
+CC1(C)c2c(N(C)C1=O)cc(-c3cnc(Cl)o3)cc2	2138
+CC1(C)CCC(CC(OCC)=O)(O)c2cc(Br)ccc12	2040
+CC1(C)CCOc2cc(C(CCCCC)CO)ccc12	2938
+CC1(C)c2ccc(-c3ocnc3)cc2N(C)C1=O	2939
+FC(F)(F)C1(ON=C(c2ccc(c(C)c2)C(NCc3cc4c(C(C)(C)OB4O)cc3)=O)C1)c5cc(Cl)c(c(Cl)c5)F	14
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c3ccc(c(C)c3)C(NCc4cc5c(C(C)(C)OB5O)cc4)=O)=NO1	14
+CC1(C)CC(=O)Nc2cc(ccc12)N	106
+c1cc(ccc1)C(c2ccccc2)N3c4ccccc4C(O)(c5c(O)cc6OCC(C)(C)c6c5)C3=O	1115
+CC1(C)CCC(C)(C)c2cc(OC)c(cc12)C(=O)CC	94
+CC1(C)CCC(C)(C)c2cc(c(C(=O)C)cc12)OC	8117
+CC1(C)CC(c2cc(N)ccc12)=O	0
+CC1(C)N(C(C)(C)c2c1cc(cc2)Nc3ncc(c(NC4CCCN(C(C=C)=O)C4)n3)F)C	55
+CC1(C)c2ccn(c2-c3cc(CC)ccc13)CC(C)O	8118
+CC1(C)c2c(N(C1)C(=O)C)cc(cc2)N	0
+CC1(C)C(=O)N(c2cc(ccc12)CO)C	49
+FC(F)(F)c1cnc(nc1Nc2c3C(=O)N(C)C(C)(C)c3ccc2)Nc4ccc(CP(OCC)(OCC)=O)cc4OC	73
+C[Si](C)(C)c1c(c2N(C)C(=O)C(C)(C)c2cc1)F	1091
+C1CC1(CCN2C(=O)OC(C)(C)c3ccccc23)N	8119
+CC1(C)CCN(c2ccccc2N)c3ccccc13	0
+CC1(C)c2ccccc2N(CC1)c3ccccc3NC(=S)N	401
+CC1(C)CCC(Nc2c1cc(cc2)[N+]([O-])=O)=O	77
+CC1(C)c2ccc(cc2NCC1)[N+](=O)[O-]	77
+CC1(C)c2ccccc2N(CC1)c3ccccc3[N+]([O-])=O	4434
+CC1(C)c2ccc(CC)cc2-c3n(ccc13)CC(C)N=[N+]=[N-]	2135
+CC1(C2CN(C(=O)C12)CC=C)c3cc(ccc3)N	0
+C1C2C(CN1CC=C)C2(c3cc(N)ccc3)C	15
+CC1(C2CN(C(=O)C12)CCCCCC)c3cc(ccc3)N	0
+CC1(C2CN(C(=O)C12)CCCCCC)c3cc(ccc3)O	477
+C1C2C(CN1CCCCCC)C2(c3cc(O)ccc3)C	15
+C(=O)(N)CCC1CC(OC(=O)C)CCC1(C)C2CCC3(C)C(CCC3C2OC(C)=O)=C	527
+CC12C3CCC4(C(C(C)CCC(OC)=O)CCC4C3C(O)CC1CC(CC2)O)C	27
+CC12CCC(CC1CC(C3C4CCC(C4(C)CCC23)C(C)CCC(OC)=O)=O)O	86
+C1C2CC(OC(C)=O)CCC2(C3C(C1)C4C(C(Cl)=C(C=O)C4)(C)CC3)C	2657
+CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C	410
+CC12C3CCC4(C(CCC4C=O)C3CCC1CC(C)(O)CC2)C	24
+CC12C3CCC4(C(CO)CCC4C3CCC1CC(C)(O)CC2)C	21
+CC12CCC(CC1CC(C3C4CCC(C4(C)CCC23)C(C)CCC(=O)O)=O)O	4
+C1(=C(C#N)C(C(=C(C)N1)C#N)c2ccc3c(c2)c([nH]n3)N)C	575
+C=1(N(C)N(C(=O)C=1CN)C)C	8120
+CC1=C(C(OC)=O)N(C(C(OC)=O)=C(C)N1)c2cccc(N)c2	0
+CC1=C(C(OC)=O)N(C(=C(C)N1)C(OC)=O)c2cc(ccc2)N=C=S	1034
+CC1=C(C)C(=O)N(C1=O)CCOC(=O)C	27
+[O-][N+](C=1C(=O)N(N(C)C=1C)c2ccccc2F)=O	8121
+FC(F)N1C(=NN(c2cc(OC)c(cc2)C)C1=O)C	8122
+FC(F)(F)c1c(ccc(F)c1)-c2c(c(C(=O)Nc3ccc(cc3)S(=O)(=O)C)cn2C(C)C(O)C)C	8123
+c1cc(ccc1-c2c(c(NC(=O)C3C(C)C3)sn2)C)O	1477
+c1cc(ccc1OCc2cc(Cl)c(cc2)Cl)CN3CCC(C(C3)C)C(=O)O	48
+CC1CC(CC(C)C1)=O	86
+C1(CC(CC(C)O1)(c2nc(COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC)cs2)F)C	3709
+CC1CC(CCN1C(=O)OC)N	8124
+Clc1ccc(c([N+]([O-])=O)c1)NC2CC(C)N(CC2)C(=O)OC	205
+CC1CCC(C)N1C(=O)CSC#N	8125
+C1(C)CCCC(C)N1C(=O)c2csc(-c3ccccc3C)n2	1241
+Clc1nc(nc(Cl)c1)N2CCCC2C	117
+C(N1CCCC1C)C#N	1576
+C#CCCN1CCCC1C	3939
+c1c(cc(c(c1)N2C(C)CCC2)C=O)Br	34
+c1cc(ccc1-c2n3c(ccn3)nc4CCCCCc24)OCCCN5C(CCC5)C	53
+c1cc(ccc1OCCN2CCCC2C)-c3nc(CC(=O)OC)co3	53
+c12c(cnc(CCN3CCCC3C)c1)cc(cc2)Br	236
+c1cc(ccc1-c2ccc(cc2)C3C(CCN4C(C)CCC4)C3)C#N	123
+C1COCCN1C(=O)c2coc(-c3ccc(cc3)OCCCN4CCCC4C)n2	53
+c1cc(ccc1OCCCN2CCCC2C)-c3sc4CNCCc4n3	53
+c1cc(ccc1OCCCN2CCCC2C)I	53
+c1cc(ccc1OCc2ccccn2)-c3oc(C)c(CCN4C(C)CCC4)n3	1306
+c1ccccc1COC(NC2c3nc(sc3CC2)-c4ccc(cc4)OCCCN5CCCC5C)=O	53
+C1(N(c2cccc(Nc3c4nccn4nc(Cl)c3)n2)CCC1)C	361
+n1cc(cnc1N2C(C)CCC2)Br	117
+O=S(=O)(C)c1cc2OC(COc2cc1)CN3CCCC(C3)C	236
+c1cc(ccc1)CN2N=C(N3c4ccccc4CC3C(N5CCCC(C5)C)=O)C=CC2=O	10
+CC1CCOc2cccc(c12)O	241
+n1cc(cnc1Oc2cccc3OCCC(C)c23)[N+]([O-])=O	893
+O=S1(=O)c2c(cc(c(C)c2C(C)CC1)C(=O)O)C	902
+CC1CNCC(C)C1=O	25
+C1C(C)C(C(CN1C(=O)OCC)C)=O	1600
+C1C(C)N(C(CN1Cc2ccccc2)C)S(=O)(=O)c3cccc(C#N)c3	92
+c1cc(ccc1N2CC(C)N(C(C2)C)C)C(=O)OCC	2690
+CC1CN(CC(C)N1)c2ccc(cc2)C(Nc3cc([nH]n3)CCc4cc(OC)cc(OC)c4)=O	4435
+FC(F)(F)CNC(=O)C1(c2c(-c3c1cccc3)cccc2)CCCCN4C(C)CN(CC4C)c5nc6ccccc6s5	28
+C1C(C)NC(CN1c2ccc3occ(c3c2)C(=O)N(C)C)C	25
+c1cc(ccc1C(C#N)CCCCCCCCCCCN2CC(C)OC(C)C2)Cl	3886
+CC1CN(CC(C)O1)CCCCCCCCCCCCl	1883
+CC1CN(CC(C)O1)CCNC(=O)Nc2nc3ccc(S)cc3s2	1180
+C1C(C)OC(CN1c2c(F)c3onc(C(=O)OCC)c3cc2C=O)C	39
+CC1CN(CC(C)O1)c2c(cc(c(F)c2F)-c3cnc(C)cn3)C=O	4202
+C1(CN(CC(C)O1)c2c(ccc(F)c2F)CO)C	49
+C1CC(CCN1Cc2cnccc2)n3ncc4c(nc(nc34)Cl)N5CC(C)OC(C)C5	565
+C1(C)CN(CC(C)C1)c2ccc(cc2[N+](=O)[O-])Br	34
+c1cc(ccc1C(C)=C(CN2CC(C)CC(C2)C)C)C(C)(C)CC	8126
+c1cc(ccc1OCCCN2CC(C)CC(C2)C)C(=O)OC	53
+C1C(C)C(C(CN1C(=O)OCC)C)=O	66
+C1C(C)N(C(CN1c2ccc(c(NS(=O)(=O)c3ccc(cc3)-c4cccs4)c2)OC)C)C	79
+FC(F)(F)c1ccc(-c2nc3ccc(N4CC(C)OC(C4)C)nn3c2)cc1NC(C(C)(C)C)=O	212
+O=S(=O)(Cc1c(OCCN2CC(C)OC(C)C2)cc(C(Nc3ccc(Cl)c(-c4ccccn4)c3)=O)cc1)C	28
+CC1CN(CC(C)O1)c2nc(nc(Cl)c2)-n3c(nc4c(cccc34)OC)C(F)F	54
+C1(CN(CC(C)O1)c2cc(c(cc2)C(=O)OC)C)C	34
+C1(CN(CC(C)O1)c2cnc(cc2)[N+]([O-])=O)C	244
+C1(C)CN(CC(C)O1)C(C2CC2c3sc(CCCC)cc3)=O	58
+N1CC(C)N(CCCCl)CC1C	1569
+O=NN1CCN(C(=O)C)C(C1)C	4410
+C1(N(CCOC1)Cc2cc(c(Br)cc2F)F)C	48
+C(N1CCOCC1C)c2nc(ccc2)Br	315
+c1(N2CCOCC2C)cc(nc(Cl)n1)C(=O)OC	54
+c1cc(ccc1)S(=O)(=O)Cc2nc(Cl)nc(N3CCOCC3C)c2	54
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(ccc4c(S(C)=O)c3)C(=O)N5C(C)COCC5	30
+Clc1nccc(n1)N2CCOCC2C	54
+c1(cc2CCCC(C)c2cc1OC)C(=O)C	94
+C1CN(CCN1c2ncnc3c2C(C)CC3O)C(N(Cc4ccc(cc4)Cl)CCN(CC)CC)=O	54
+FC(F)(F)C(N1CC(C)c2ccc(nc2CC1)O)=O	520
+N(N=C1C(N(N=C1C)c2ccc3c(CCO3)c2)=O)c4cc(cc(c4O)-c5cc(C(=O)O)ccc5)F	4436
+c1(c2ccccc2c(O)nc1C)CC(=O)O	8127
+CN1N(C(C(C=O)=C1C)=O)C	8128
+Clc1ccc2c(C(C(CC=O)C2)=O)c1	8129
+c1ccc(CCC)cc1OCOC	374
+c1ccccc1COCc2nc(N)nc(c2-c3cc(c(N)cc3)CC)N	8130
+c1cc(ccc1-c2ccccc2-c3cccnc3)Cn4cccc4CC	4437
+c1cc(ccc1OCCO)-c2cccnc2	4437
+FC(F)(F)c1cc(ccc1)N2C(N(C(C3=C2CCC3=O)c4ccc(cc4S(=O)(=O)C)C#N)CC)=O	8131
+FC(F)(F)c1c(cccc1)-c2ccc(C(=O)OC)cc2OCC	8
+c1c(c(O)c(C=O)c(F)c1)OCC	8
+c1([N+]([O-])=O)cccc(c1C#N)OCC	8
+c1cc(F)nc2c1ccn2CC	4098
+c1cn(c2c(ccc(C#N)c12)Br)CC	339
+c12ccc(nc1cc(OCC)c(c2)F)C	8
+c1c(cc2c(C(C(C(=O)OCC)=CN2CC)=O)c1)Br	8132
+c1ccc(cc1OCC)CC(OC)=O	8
+c1c2c(ccc1OCC)c(-c3cnccc3)cs2	8
+c1cc(ccc1)COC(=O)C2CCN(C2)CC	28
+c1cc(ccc1C=Cc2n(CC)cc(-c3c(cc(Cl)cc3)Cl)n2)Br	541
+O=S(=O)(C)Nc1ncc(C(=O)NCC=CC(=CC)CC)cc1	802
+CCC(=CC)c1ccc2sc(C(=O)OCC)cc2c1	1425
+c1(oc2cc(C(CC)=CC)ccc2c1)C(=O)OCC	4113
+C(C)C(CC)(c1cc(c(O)cc1)C)c2ccc3sc(cc3c2)C(=O)OCC	4438
+c1c(cc(c(c1)Cc2c(nn(-c3cc(ccc3Cl)NC(CC)=O)c2C#N)CCCC)F)Br	829
+C1(Oc2cccc(C)c2O1)(CC)C	2893
+O(c1cccc(OC)c1C(C)(O)CC)C	1589
+c1(c2c(c(C)c(C)[nH]2)c(cc1)Br)C(=O)O	8133
+c1c(cc2c(C)c([nH]c2c1)C)Br	518
+c1cc(ccn1)-c2cc3c(s2)C(NC(C)(CC)N3CC)=O	4301
+c12c(c(c(cc1)OC)Cl)CC(CCC(=O)CC)(C2=O)CCCC	2104
+c1cc(ccc1N2C(CC)=CC=C(C#N)C2=O)F	8134
+COc1cc(-c2nc(co2)CC)ccc1O	8135
+c1cc(ccc1Cl)SCC(=O)CC	4439
+c1cc(ccc1SCC(CC)=O)-c2c(n3CCCc3n2)-c4ccncc4	4439
+c1ccccc1-n2nc(CC)cc2N	752
+c1cc(ccc1)NC(CC(CC)C)CC	231
+c1(cc(n[nH]1)CC)CC	3735
+C(CC)(=O)C(C(CC)=O)Cc1ccc(cc1)Br	8136
+c1cc(ccc1-n2c(cc(CC)n2)CC)OC	2734
+CN(C)C=C(C(=O)CC)C(OC)=O	2740
+Clc1cccc(c1)-c2nc(CC)cc(O)n2	4306
+CN(C)C=C(C(=O)OCC)C(=O)CC	2740
+c1cc(ccc1CC(C(=O)CC)C(=O)OCC)-n2cccn2	1251
+c1cc(ccc1CC(C(=O)CC)C(=O)OCC)S(=O)(=O)C	1251
+C(CCC(CC)O)CCC	100
+Clc1c(ccc(C)n1)-c2oc(cn2)CC	8137
+Clc1cnc(-n2c(ccn2)NC(CC)=O)c(Cl)c1	195
+CCC(N1Cc2n(CC1)nc([N+]([O-])=O)c2)=O	8138
+CCC(NC1CCC(C(=O)O)C1)=O	68
+CCC(Nc1cc(Cl)c(F)cc1)=O	26
+c1ccccc1COC2=C(N(C=C(NC(CC)=O)C2=O)CC(OC)OC)C(=O)NCc3cc(ccc3)Cl	8139
+c1c2OCC(Cc2ccc1)NCCC	8140
+CCC(Oc1c(c(F)ccc1)F)=O	385
+c1(F)c2Cc3c(ccc(C(CC)=O)c3F)-c2ccc1	94
+c1c-2c(cc(c1)C(=O)CC)CCc3ccccc-23	94
+C1c2c(CC1N(C(CC)=O)CCC)cccc2	58
+CCC(c1c2ccc(cc2[nH]c1CC)C(=O)OC)=O	432
+c1(cc(cc(C)c1OC)C(=O)CC)C	94
+CCC(Nc1cccc(C#N)c1)=O	26
+CCC(OCC(Nc1sc2cc(OC)ccc2n1)=O)=O	8141
+C1(Cc2c(cccc2)OC1)N(C(CC)=O)CCC	58
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCN(CC4)C(=O)CC	58
+c1ccccc1N(C(=O)CC)C2CN(CCC2)Cc3ccccc3	192
+c1cc(ccc1C(=O)CC)OC	94
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(Cl)ccc(-n4cccc4CNC(CC)=O)c3Cl	68
+O=S(=O)(NC(=O)CC)c1ccccc1-c2ccc(cc2)CC3=C(CCCC)N=C(N(c4ncc(cn4)OC)C3=O)C	2738
+c1cc(ccc1CN2CCN(CC2)c3ncccn3)CNC(CC)=O	68
+c1cc(ccc1NC(=O)CC)[N+](=O)[O-]	26
+C=1(OC(=O)c2c(cccc2)N=1)CC	3310
+c1(ccccc1C(=O)O)NC(=O)CC	26
+c1cc(ccc1)C(CNC(CC)=O)Nc2cncc(c2)Br	68
+c1ccccc1CNC(c2sc(NC(CC)=O)nc2C)=O	290
+c1ccccc1COC(CC(C)(C)c2cc(ccc2OC(CC)=O)P(=O)(CP(OCC)(OCC)=O)OCC)=O	385
+c1cc(ccc1SC)C(CC)=O	94
+n1cc(-c2cc(NC(CC)=O)ccc2)nc3ccccc13	26
+CCC(NC1CCCc2c(Br)cncc12)=O	68
+O(c1cc(c([N+]([O-])=O)cc1F)F)c2ccnc(c2)NC(=O)CC	1153
+CCC(=O)N(Cc1cccc(I)c1)c2cc(-c3[nH]nnn3)ccc2	4440
+FC(F)(F)c1ccc(cn1)-c2nc3c(ncnc3NC4CN(CC4)C(CC)=O)n2C	516
+c1n2CCN(Cc2nc1NC(CC)=O)c3cc(-c4c(C)cc(cn4)C)c(Cl)cn3	43
+CCC(=O)Nc1cn2CCNCc2n1	4441
+CCC(NC1CCCc2c(cncc12)-c3cc4CCC(N(c4cc3)C)=O)=O	9
+CCC(=O)Nc1cn2ccncc2n1	1018
+N(c1c(scc1)C(Nc2cccc(OC)c2)=O)C(C(Cl)CC)=O	8142
+c1c2NC(CCc2cc(c1)Nc3nc(NC(CC)C(N)=O)cnc3C#N)=O	1410
+c1c(Br)ccc2ccc(cc12)OC(CC)C(=O)OC	289
+c1cc(cc2c1ccc(O)c2)OC(CC)C(=O)OC	289
+O=S(=O)(NC(C(CC)C)CO)c1ccc(cc1)Cl	71
+OC(C#N)CC(C([N+](=O)[O-])C)CC	2069
+Clc1cc(c(CO)cc1)OC(CC)C	521
+c1cc(ccc1OC)SC(CC)C	8143
+CCC(C=1N=C2C=CC=C(C)N2C(C=1I)=O)N=[N+]=[N-]	8144
+CCC(N)C=1N=C2C=CC=C(C)N2C(C=1I)=O	1426
+CCC(CC)(c1cn(nn1)Cc2cc3c(C(c4cc(ccc4)F)=CC(=O)O3)cc2)O	642
+c1cc(ccc1S(=O)(=O)OCC#CC(CC)(CC)OC2OCCCC2)C	8145
+C(C)C(CC)c1cccc2NC(=O)Nc12	564
+c1ccccc1COc2ccc(cc2C)C(CC)(CC)c3nc4ccc(C(=O)OC)cc4o3	1692
+C(C)C(CC)(c1ccc(OCc2ccccc2)c(C)c1)c3nc4cc(C(=O)OC)ccc4o3	1692
+CCC(CC)(c1c[nH]c2c(cccc12)NS(=O)(=O)C)c3cc4cc(oc4cc3)C	1263
+C(C)C(CC)=C(c1ccc(c2c1cccc2)C=NNC(=O)c3cc(c(O)cc3)Cl)C(=O)N	8146
+CCC(CC)C(=O)Nc1cc2C3=NC=C(C(O)=O)C(N3C=Nc2cc1)=O	127
+O=S(=O)(c1ccc(Cl)s1)NC(C=O)C(CC)CC	24
+CCC(CC)C(Nc1ccc2ncnc(c2c1)N)=O	26
+CCC(CC)C(=O)c1c[nH]c2cnc(cc12)-c3c(C)cccc3C	432
+C(C)C(CC)C(=O)c1sc2ccccc2c1C	2940
+c1cc(ccc1-n2c(ccn2)C(C(CC)CC)NS(=O)(=O)c3ccc(Cl)s3)OC	1427
+CCC(CC)C(Nc1ccc(cc1)C(NCCC(O)=O)=O)c2c(c3c(s2)cccc3)C	3
+CCC(CC)C(Nc1ccc(cc1)C(=O)NCCC(OCC)=O)c2c(c3c(s2)cccc3)C	14
+C(OC)(=O)C(C(OC)=O)=CNc1c2c(ncn1)ccc(NC(C(CC)CC)=O)c2	8147
+CCC1(CC)c2c(c(OCc3ccccc3)ccc2F)NC1	3897
+C(C)C(CC)CCNCc1cc(c(cc1)Oc2ncc(C(=O)N)nc2)F	42
+C(C)C(CC)Nc1nc(Cl)ncc1[N+](=O)[O-]	40
+CCC(CC)NC1=C(C(C1=O)=O)Nc2ccc(Cl)c(S(=O)(=O)N(OC)C)c2O	993
+C(C)C(CC)Nc1cc(nc(Cl)c1[N+]([O-])=O)C	105
+C(C)C(CC)Nc1c(cc(C(OC)=O)cc1)[N+](=O)[O-]	60
+C(C)C(CC)NC(=O)c1ccc(cc1)-c2scc(Br)c2CC(=O)OC	14
+CCC(CC)NC(C=Cc1ccc(cc1)O)=O	711
+CCC(CC)NC(=O)Oc1ccccc1	101
+C(C)C(CC)NC(n1c2ccc(Oc3cc(ncc3)N)cc2cc1)=O	2121
+c1cc(ccc1-c2scc(-c3ccccc3Cl)c2CC(=O)NC(n4cccn4)=N)C(NC(CC)CC)=O	8148
+CCC(CC)NC(c1ccc(cc1)-c2scc(-c3c(Cl)cccc3)c2CC(O)=O)=O	4
+CCC(CC)n1c2c(cnc(n2)Cl)cc1C(OCC)OCC	4442
+c1cc(ccc1F)-c2cc(OC(CC)CC)c(NC)nc2-c3ccc(cc3Cl)OC	89
+CCC(CC)c1c2c(c(Cl)cc1)nc3N(CCn23)c4ccc(Cl)cc4Cl	8149
+C(C)C(CC)c1c2n(C)c(nc2c(Cl)cc1)Oc3c(Cl)cc(cc3Br)Cl	2200
+C(C)C(CC)c1ccc(c2nc(Oc3c(cc(Br)cc3Cl)C)n(C)c12)Cl	2200
+CCC(CC)c1c2c(c(cc1)Cl)nc(Nc3ccc(Cl)cc3Cl)n2CCO	44
+CCC(CC)c1cc(cc(OC)n1)C(=O)O	1
+CCC(CC)c1nc(cc(-c2onc(n2)-c3cc(c(c(C)c3)NS(=O)(=O)C)CC)c1)OC	529
+CCC(CC)c1c2c(nc(Cl)n2C)c(cc1)Cl	1088
+C(C)C(CC)c1ccc(Cl)c2NC(=O)N(CC(OCC)=O)c12	196
+C(C)C(CC)n1c2nc(Cl)ncc2cc1C(=O)O	2634
+CCC(CC)n1c(C=O)cc2c1nc(Cl)nc2	1921
+OC(COCCCC)COCC(CCCC)CC	850
+c1cccc2nn(nc12)-c3cc(cc(c3O)COCC(CCCC)CC)C	555
+c1cccc(C(C2=NNC(N2CC(CC)C)=S)O)c1Cl	3547
+O=S(=O)(C)OCC(CC)C	7
+O=S(=O)(Nc1ccc(c(c1)O)C(=O)OCC(CC)OC)c2cc(c(Cl)s2)-c3c(O)ccc(F)c3	47
+C(CN(CCC)C1Cc2ccc(cc2C1)Br)C	15
+c1c(cc(Cl)nc1NC(C)CC)C(=O)OC	70
+O=Cc1c(nc(SC)nc1Cl)NC(C)CC	40
+FC(F)(F)c1nc(c(c(n1)NCC)[N+](=O)[O-])NC(CC)C	40
+CCC(C(=O)N)Nc1cnc(c(Cl)n1)C#N	2941
+FC(F)(F)C(=O)NC(C(=O)O)CC	8150
+c1ccccc1COC(=O)NC(CC)C(O)=O	544
+c12c(NC(C=3N=C4N(C(=CC=C4)C)C(=O)C=3I)CC)ncnc1nc[nH]2	3392
+O=S(=O)(N1CCC(CC1)Nc2nc(N)c(cn2)C(=O)c3c(ccc(F)c3F)OC)CCCNC(CO)CC	284
+O=S(=O)(c1cc(cc([N+](=O)[O-])c1)NC(CNC(CC)CO)=O)C	402
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(cn3)C(=O)NC(CC)CO)F	56
+c1ccccc1Nc2c3ncn(C)c3nc(n2)NC(CO)CC	96
+c1c(ncnc1Cl)NC(CC)CO	40
+CCC(N1Cc2n(nc(N)c2)CC1)=O	161
+CCC(N1Cc2cc(NC3=CC(=CN(C)C3=O)Br)nn2CC1)=O	523
+CCC(N=C=S)(CCCl)c1c(F)ccc([N+]([O-])=O)c1	221
+c1cc(ccc1N(C)C(=O)C2CCC(C2)NC(CC)=O)-c3nc4ccccc4n3C	429
+c12CCC(NC(CC)=O)Cc1ccc(OC)c2[N+]([O-])=O	77
+CCC(NCCc1cc(c(c(Cl)c1)Cl)C=O)=O	39
+c1cc(ccc1)CN(C(CC)=O)c2cc(C#N)ccc2	1126
+c1cc(ccc1C#Cc2cc(F)ccc2)-c3nc(on3)C(CC)OC	859
+c1cc(ccc1OC)C(CC(=O)CC)=O	2201
+c1(O)c(c(F)ccc1C(CC)=O)F	4443
+c1cc(ccc1Nc2ncc(Br)c(SC(CC)CO)n2)S(=N)(=O)C	2147
+CCC(c1cnc2c(cccc2c1Cl)OC)=O	120
+c1(cc(C(CC)Nc2cc(Br)c(C)cc2)ccc1Cl)C	3800
+C(C)C(=NOC)c1cc(c(O)c(c1)CN)Br	189
+c1(cccc(CCC)c1)Br	165
+CCC(c1ccc2occc2c1)=O	8151
+C=1COc2c(c(O)c(C(CC)=O)cc2)C=1	1318
+c1cc(ccc1C(=C(CC)c2ccc3occc3c2)c4ccc(cc4)O)OCCCl	1051
+CCC(c1cccc(c1)O)=O	5
+c1cc(ccc1C(c2ccc(cc2)O)=C(c3cccc(c3)OCC(OCC)=O)CC)O	1051
+CCC(c1cccc(OCC(OCC)=O)c1)=O	52
+CCC(c1cccc(c1)OCCCC(OCC)=O)=O	8
+CN(C)CCOc1cccc(C(CC)=O)c1	72
+c1cc(ccc1C(c2ccc(cc2)O)=C(CC)c3cc(ccc3)OCCCC(=O)OCC)O	1051
+c1cc2c(ncc(C(CC)=O)c2Nc3c(C)cccc3)c(O)c1	179
+CCC(c1cnc2c(cccc2c1Cl)O)=O	390
+C(C)C1(CC)c2cc([N+]([O-])=O)ccc2N(C)C1=O	31
+CCC1(CC)CNCCC1N	25
+C(C)C1(CC)c2cc(NC(=O)C)c(cc2N(C1=O)C)[N+](=O)[O-]	77
+C(C)C1(CC)C(Nc2ccc(cc12)[N+](=O)[O-])=O	31
+CCC1(CC)c2c(N(CCC(C)(C)NCC(c3c4ccc(nc4cc(OCc5ccccc5)c3)O)O)C(=O)O1)cccc2	122
+CCC1(CC)c2c(N(CCC(C)(C)NCC(c3cc(cc4nc(ccc34)O)O)O)C(=O)O1)cccc2	16
+CC(C)N1C(C(CC)(CC)c2cc(N)ccc12)=O	0
+C1(N(C(=O)NC12CC(C)(CC)NC(C2C)(C)CC)C)=O	3701
+C1C(C(CN(C(=O)OCC)C1)CC)=O	66
+CCC=CCCC(CCC=CCC)OS(=O)(=O)C	7
+CCC=CCCC(CCC=CCC)C#N	4444
+COc1c(C(O)CC)c(F)ccc1	1512
+C(CC(NCCC)CC(=O)N)CCCCCCCCCCC	110
+c1c(C)c(c(cc1C(O)CC)C)-n2c(c(Cc3c4c(ccc3OCC)cccc4)c(n2)CC)CC	1482
+OC(c1cccnc1F)CC	1831
+C1C(CN1c2cc3c(cc2)OCC(C3Cc4ccccc4)NCCC)NS(=O)(=O)CCC	110
+c1cc(ccc1)COc2cc(cc(F)c2)C3(COC(CC)O3)CC	8152
+c1ccccc1C=2CCN(CC=2)CCC#Cc3ncc(NCCC)cc3	839
+C1CC(CCN1Cc2ccccc2)N(CCC)C3Cc4c(ccc(OC)c4)CC3	61
+C(CC)(c1c(OC)c(ncc1)OC)O	3280
+CCCOc1cccnc1N	458
+n1n(CCC)ccc1[N+](=O)[O-]	338
+O(c1c([N+]([O-])=O)cccc1)CCC	8
+c1cc(c(c(c1OCCC)Cl)C)[N+]([O-])=O	8
+c1(C=O)cc(OCCC)c(cc1)OC	8
+C(O)(c1cc(ccc1F)Br)CCC	8153
+c1c(cc(F)c(c1)N2C=NN(CCC)C2=O)Br	8154
+c1ccccc1C2=NCC(=O)N(c3ccc(cc23)Cl)CCC	988
+c1ccccc1N(C(CC(C)CC)CC)CCC	936
+C1(=O)c2ccccc2C(=O)N1C3CCC(CC3)OCCC	176
+c1ccccc1-c2c3c(n(c2C)CCC)cccc3OC(C)(C)C(=O)OCC	339
+c1ccccc1COc2c(c(SC)cc(C=O)c2)OCCC	8
+c1nc(ncc1OCC)-c2ccc(cc2)CCCCCOCCC	176
+C(COc1cccc2c1cncc2)C	8
+Clc1cc(c(NC(=O)CCC)cc1)C(=O)N	26
+FC(F)(F)CCN1CCN(CC1)c2c(ccc(Cl)c2)NC(=O)c3cc4c(CCN(C4)C(=O)CCC)cc3	58
+Oc1nc(CCC)nc2nc3c(cc12)cccc3	8155
+C(C)CC(Nc1c(ccc([N+]([O-])=O)c1)O)=O	26
+C(c1ccc(c(c1O)C)O)(CCC)=O	94
+C(C)CC(Nc1cc([N+]([O-])=O)ccc1)=O	26
+c1cc(ccc1[N+]([O-])=O)Oc2ccnc(NC(CCC)=O)c2	195
+c1ccccc1-c2cnc3c(c2)c([nH]n3)NC(CCC)=O	195
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3ccc4[nH]c(CCC)nc4c3	442
+c1cc(ccc1Oc2ccccc2)C(=O)CCC	214
+c1cc(ccc1-c2c3c(ncnc3n(C4COCCN(C4)C(CCC)=O)n2)N)Oc5ccccc5	10
+c1cc(ccc1CCC(C(=O)OCC)(C(=O)OCC)NC(C)=O)Sc2ccc(cc2)C(=O)COC(=O)CCC	4445
+c1cc(ccc1C(=O)CCC)Sc2ccccc2	214
+C(C)CC(CCC)(C(=O)OCC)Oc1c(C=O)cc(Cl)cc1	494
+C[Si](C)(C)OCC(CCC)(CCC)COC	19
+C(CC)C(CCC)C(N(C(CC=C)C(=O)O)C)=O	4
+CCCC(CCC)c1ccc(cc1)OCc2ccc(cc2)-c3ccc(C=O)s3	139
+CCCC(CCC)c1ccc(cc1)OCc2ccc(cc2)-c3ccc(s3)CO	1364
+CCCC(CCC)c1ccc(cc1)OCc2ccc(cc2)-c3sc(cc3)CCl	8156
+Clc1ccc(c(Cl)c1)-c2c(c(NC(CCC)C)ncc2)[N+]([O-])=O	70
+C[Si](C)(C)OC(CC#C)(CCC)CCCC	19
+C1C(CCCN1C(=O)c2cnc(c(Cl)c2)Cl)CCC	1558
+c1cc(ccc1-c2sc(cc2)CCCCC)OC(=O)C=CCCC	2358
+FC(F)(F)c1ccc(cc1)-c2cccc(NCCCC)c2	291
+c1(cc2c(nc(s2)Cl)cc1)NCCCC	291
+C1CCCCC1CC(C(OCC)=O)(C(OCC)=O)CCCC	3270
+c1(cc(c(cc1)OCCCC)O)C=O	8
+c1c(F)c(c(cc1)F)C(Nc2nn(Cc3ccc(cc3Cl)OCCCC)cc2)=O	8
+c1c([N+]([O-])=O)cccc1C(=O)c2cccn2CCCC	1878
+c1c(C)nc(cc1)OCCCC	1923
+c1ccccc1CNC(CN2CCc3cc(c(cc3C2Cc4ccc(OCCCC)c(OC)c4)OC)OC)=O	8
+c1cc(ccc1)COC=2C=CN(CCCC)C(=O)C=2	8157
+CN(C)C(C)(CCCC)C#N	735
+FC(F)(F)c1ccccc1C(=O)N2CCN(CC2)c3ccc4n(n3)cc(n4)CCCC	1823
+O(CC)C(=O)C(C(OCC)=O)CC(c1ccc(cc1)-c2ccc(cc2)NC(CCCC)=O)=O	26
+C(C(=O)c1c(sc2c1cccc2)-c3ccc4c(c3)ccc(OCC(=O)OCC)c4Br)CCC	1487
+C(C(=O)c1c(-c2cc3ccc(cc3cc2)OC)oc4ccccc14)CCC	2617
+c1cc(ccc1CN(C(=O)CCCC)c2ccccc2)-c3ccccc3C(=O)OC	192
+CCCCc1c(C)nc(c(C#N)c1)O	8158
+CCCCC(CC(=O)OC)C	27
+O=S1(=O)c2cc(C=O)ccc2N=C(N1)C=3C(=O)C(CCCC)(CCCC)c4ccc(cc4C=3O)F	674
+O(C)c1c(F)cc2C(C(Cc2c1Br)CCCC)=O	65
+CCCCc1cc(Cl)n2c(ccn2)n1	1591
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)NCCCCC	291
+OC(CCCC)C#CC	8159
+c1(ccc(C#CC(O)CCCC)c(c1F)F)F	3685
+C(CCC1(CCCCCC)c2cc3c(cc2-c4ccccc14)CC(C3O)C)CCC	74
+c1cc(ccc1NCCCCCC(CCCCCCCCCC)=O)C(OCC)=O	601
+CCCCCCCCCCCC(NO)=N	409
+c1cc(C(=O)CCCCCCCCCCC)sc1	1808
+c1cc(ccc1-c2onc(CCCCCCCCCCC)n2)C=O	4446
+c1cc(cc2c1nc(nc2NCCCCCCCCCCCC)Cl)[N+](=O)[O-]	8160
+FC(F)(F)C(=O)C=Cc1ccc(cc1)OCC(NCCCCCCCCCCCC)=O	9
+c12c(C(=O)N(C1=O)Cc3sc(S(=O)(=O)NCCCCCCCCCCCC)cc3)cccc2	1427
+c1ccccc1C=NCCCCCCCCCCCC	853
+C(CCCCN(CCO)CC)CCCCCCC	183
+C(Cc1sc(C=O)cc1)CCCCCCCCCC	968
+C(CO)CCCN(C(Nc1c(F)cc(cc1)F)=O)CCCCCCC	326
+C(Oc1cc(CCN)ccc1OCCCCCC)CCCCC	157
+c1(C=C[N+](=O)[O-])cc(c(OCCCCCC)cc1)OCCCCCC	417
+O(C)C=1C(N(C=CC=1)CCCC)=O	8161
+O=C(OCC)C(=NOCCCC)C(C)=O	4447
+O=S(=O)(N(CCCC)C1CCCOc2ccccc12)C	2821
+C1(C#N)=C2CCCC(=O)C2=CN(CCCC)C1=O	8162
+c1(cc(cc(C)c1OCCCC)C=O)C	116
+c1ccccc1Cn2cnc3c2C(NC(=O)N3CCCC)=O	3419
+c1ccccc1CN2c3c(ccc(c3CCC2=O)CC4SC(NC4=O)=O)OCCCC	116
+c1(ccccc1Br)NN=C(C(NCCCC)=O)C#N	8163
+N(C(=O)c1cccc(c1OC)OC)CCCC	14
+Cc1nc(N)nc(NCCCC)c1Cc2c(cc(cc2)Br)OC	8164
+c1(c([N+]([O-])=O)cc(C)c(Cl)c1)NCCCC	205
+C(c1ccc(c(Cl)c1)Cl)NCCCC	42
+c12nc(nc(c1[nH]cn2)N)NCCCC	96
+c1(cc(ccc1[N+]([O-])=O)F)NCCCC	250
+c1cc(ccc1CC#N)Sc2c(nc(N)nc2C)NCCCC	40
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCCCCC(=O)NCCCC	9
+c1ccccc1S(=O)(=O)c2n[nH]c3c2cc(OCCNCCCC)cc3	463
+n1cc(n2c1ccc(NCCCC)n2)Br	232
+C(CN(CCCC)C(=O)OCOC(=O)C1=C(SC=Cc2scnc2CO)C(C3C(C(=O)N13)C(C)O)C)CC	8165
+C(C)CCN(CCCC)C(c1nn(-c2c(C#N)cc(OC)cc2)c(c1Cl)C)=O	926
+C(CN(CCCC)SN(C(Oc1cc(C)c(c(c1)C)N=Cc2c(O)cccc2)=O)C)CC	8166
+O=S(=O)(CCCCCCl)N(C)CCCC	112
+CCCCNC(=O)C(C(N)CCCC)O	18
+c1cc(ccc1)S(=O)(=O)CCCc2cc(C(OCC)=O)nn2CCCC	4281
+C(C)OC(c1cc(C)n(CCCC)n1)=O	2202
+O=S(=O)(C)c1nnc(NC(=O)N(CCCC)N)s1	2551
+C1OCCC1(NC(=O)c2cncc(N)c2)C(OCCCC)=O	4370
+FC(F)(F)c1c(cc(cc1F)C=CC(OCCCC)=O)F	233
+Fc1cc(cc(F)c1C)C=CC(OCCCC)=O	233
+c1cc(ccc1-c2cc(sc2S(=O)(=O)NC(=O)OCCCC)CCCC)Cn3ccnc3	3269
+c1ccccc1COC(NC2CCN(C(OCCCC)=O)C2)=O	66
+n1c(c(Cl)cnc1Cl)C=COCCCC	8167
+c1cc(c(C)c(n1)CSc2nc3ccccc3[nH]2)OCCCC	8168
+FC(F)(F)c1cnc(-c2ccc(cc2)C(O)CCCC)cc1	758
+S(c1cc(C)c2nnc(c(Cl)c2c1)C(=O)N)C	3404
+FC(F)(F)c1c(-c2ccccn2)ccc(NC(=O)Nc3ccc(cc3)Oc4ncnc(c4)NC)c1	4448
+O=C1c2c(cccc2)C(=O)N1C(c3c(-c4ccccn4)nc5sccc5c3)C	4449
+c12c(cccc1)C(=O)N(C2=O)C(C)c3c(nc4c(c(ccc4)Cl)c3)-c5ncccc5	8169
+c1ccc2C(=O)N(C(=O)c2c1)c3nc(c(C)cc3)-c4ncccc4	8170
+CC(C)Oc1ccc(cc1)-c2cc(Cl)cc(-c3ccccn3)n2	4449
+c1(cnccc1-c2cc(c(nc2-c3cccnc3)N)[N+]([O-])=O)F	8171
+c1(cnccc1-c2cc(c(nc2-c3c(cccc3)F)N)[N+]([O-])=O)F	2432
+FC(F)(F)c1cccc(-n2c(OCC)nc(-c3n(-c4ccc(cc4)C#N)ncc3)c2C)c1	8172
+FC(F)c1cc(c(cc1-c2ccnn2C(C)C)C(OC)=O)N	4450
+FC(F)(C)c1cc(N)c(cc1-c2n(ncc2)C)C(=O)OC	4450
+c1(-c2nc(C)cs2)nccc(c1)C(=O)OC	8173
+c1c(C)ccc(-c2cc(OC)cc(c2)C(=O)OC)n1	4448
+c1cc(ccc1S(=O)(=O)n2cc(-c3nc(Cl)ccn3)c4cc(ccc24)-c5oc(NCc6ccc(cc6)OC)nn5)C	8174
+n1cccnc1-c2ccc(nc2)F	8175
+Cc1nc(N)nc2N(C(C(c3sccn3)=Cc12)=O)CC	8176
+n1cc(-c2sccn2)ccc1F	8177
+n1(cc(-c2cc(C#N)ccn2)nc1)C	4451
+O(CC)P(OCC)(c1c(scc1)-c2c(P(OCC)(OCC)=O)ccs2)=O	3382
+CCCCc1c(C)nc(O)c(N)c1	13
+Cc1c(ccc(O)n1)CCCC	2203
+CCCCc1cc(n2c(ccn2)n1)NC	1005
+CCCCc1c(N)c([nH]n1)C(=O)N	209
+CCCCc1n[nH]c(C(=O)O)c1[N+](=O)[O-]	1733
+CCCCc1n[nH]c(C(=O)N)c1[N+](=O)[O-]	4252
+c1ccccc1-c2csc(Sc3n(c(c(n3)C(=O)N)N)CCCC)n2	8178
+Clc1cc(c(CO)cc1)OCCC	116
+FC(F)(F)C(c1cn(CCC)c2cc(ccc12)Cl)=O	557
+FC(F)(F)c1ccc(cc1)-c2cc(OCc3ccccc3)cc(C(C(OCC)=O)CCC)c2	434
+C1CN(CCC)CC(c2cc(ccc2)OC)=C1	8179
+O=C(C(CCC)c1c(Cl)n2nc3c(c2nc1C)cccc3)OC	2877
+O=C(OCC)C(=NOCCC)C(C)=O	4447
+O=S(=O)(C)c1c(c(C2CCN(CC2)CCC)ccc1)F	183
+O=S(=O)(N)c1c(cccc1OCCC)I	116
+CCCn1cnc(C=O)c1	4452
+c1(c(c(c2c(OC(c3cc(c(cc3)N(CCC)C(=O)C)F)=CC2=O)c1F)N)F)C	727
+C(c1c(Br)cccc1F)CC	4453
+C(COc1cc(ccc1[N+]([O-])=O)F)C	116
+C(Oc1cc2c(cccc2)cc1NC(=O)C)CC	116
+C(COc1c(ccc(c1)O)Br)C	116
+C(COc1cc(cc(c1Br)O)C(=O)OCC)C	116
+c1cc(c(C(=O)OC)cc1I)OCCC	116
+c1c(cc2c(OC(=O)N2CCC)c1)Br	4325
+c1cc(ccc1-c2c(C)c(nn2-c3c(Cl)cc(Cl)cc3)-c4n(nnn4)CCC)Cl	8180
+c1ccccc1CN2C(C)=CC(OCCC)=C(Cc3ccc(cc3)-c4ccccc4C#N)C2=O	8181
+c1cc(ccc1Br)OCCC	116
+c1cc(ccc1-c2nc(nc(C)c2C(C(=O)OC)CCC)Cl)C	2877
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)OCCC	116
+c1ccccc1NC(NCCCN(CCC)CCc2ccc(cc2)Cl)=O	183
+c1cc(ccc1OCCC)C(=O)C	116
+c1ccccc1COC(NC2CC3c4c5c(CC3N(CCC)C2)c[nH]c5ccc4)=O	183
+COc1cc2c(cc1)CCC(NCCC)C2	87
+FC(F)(F)C(CNc1cc(C)cc2n(ncc12)-c3ccccc3)(CNCCC)O	122
+FC(F)(F)C(CNc1cc(C)cc2n(ncc12)-c3ccc(cc3)F)(CNCCC)O	122
+FC(F)(F)c1cccc(c1)S(=O)(=O)N2CCC(CC2)ONC(=O)NCCC	8182
+FC(F)Oc1ccc(Br)c(OCC(NCCC)=O)c1OC	9
+O1C(Oc2cc(cc(c2C1)F)Br)CNCCC	132
+CCCN1C(CO)=CNC1=S	4327
+C(CC)N1C(Cc2c1c(F)cc([N+]([O-])=O)c2)=O	1611
+c1(nc(NCCC)nc(c1)C(NO)=N)C	96
+c1(C=C2c3cc(C(=O)NCCC)sc3NC2=O)ccc[nH]1	227
+CCCNc1c(I)cnc(Cl)n1	40
+[N+](c1c(c(Cl)cc(c1C(=O)NCCC)Cl)OC)(=O)[O-]	513
+c1(Cl)cc(cc(Cl)c1OCCNCCC)Cl	132
+c1(cccc(OC)c1-c2n(CC(C)C)nc(C(=O)NC(CC(NCCC)=O)CC(C)C)c2)OC	9
+n1c2c(c(NC)nc1NCCC)nc(Cl)nc2NC	798
+O=[N+](c1c(NCCC)cc(c(F)c1)[N+](=O)[O-])[O-]	60
+c1c(ccc(CNCCC)c1F)F	42
+c1cc(ccc1-c2c(C#N)cccc2)CNCCC	370
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(-n4nnc(CCNCCC)c4)c3)ccc1F)F	463
+c1c(cc(C(NCCC)=O)c(N)c1)I	1338
+c1ccccc1COCCCC(=O)NCCC	9
+c1ccccc1N2C(C3=CNC=C(C(NCCC)=O)C3=N2)=O	8183
+c1ccccc1S(=O)(=O)Nc2cccc(Sc3ccc([N+](=O)[O-])c(CNCCC)c3)c2	42
+c1ccccc1S(=O)(=O)Nc2cccc(S(c3ccc([N+](=O)[O-])c(CNCCC)c3)=O)c2	42
+CCCN(CCC)CC(N1c2c(C=3N(c4cc(c(cc14)C)C)C(N(CCCN(C)C)N=3)=O)cccn2)=O	4284
+CCCN(CCC)CC(N1c2ncccc2C(Nc3cc(C)c(cc13)C)=S)=O	8184
+CCCN(CCC)CC(=O)N1c2c(cc(C)c(C)c2)N3C(=O)NN=C3c4c1nccc4	8185
+CCCN(CCC)CCCCC1C(c2ccc(CNCc3ncc[nH]3)cc2C1)OC	8186
+CCCN(CCC)CCCCC1Cc2c(ccc(CN(Cc3nccn3C)Cc4ncc[nH]4)c2)C1OC	566
+c1cc(ccc1CN(Cc2n(ccn2)C)Cc3[nH]ccn3)CN(CCCCN(CCC)CCC)CCC(O)=O	4
+CCCN(CCC)CCCCN1CCc2cc(ccc2C1)CO	98
+CCCN(CCC)CCCCN1CCc2c(ccc(CNCc3n(ccn3)C)c2)C1	42
+CCCN(CCC)CCCCN1CCc2cc(C=O)ccc2C1	39
+C(CC)N(CCC)CCCCN(C=O)Cc1ccc(cc1)CN(Cc2n(C)ccn2)Cc3[nH]ccn3	1003
+C(C)CN(CCC)c1c2n(c(Cl)nc2c(cc1)Br)C	1088
+CCCn1cncc1CO	4329
+C1C=C(CC1)c2ccc([N+]([O-])=O)c(NC(=O)N(C)CCC)c2	2016
+C(N(C)c1nc(Cl)cc(c1)C(=O)OC)CC	43
+FC(F)(F)c1n(C)nc(-c2c(F)cc(c(N(CCC)C)c2)[N+]([O-])=O)c1Cl	34
+c1cc(ccc1C(=O)N2CC(N(C)CCC)CC2)I	1499
+CCCNC1CCc2ncsc2C1	2190
+c1cc(ccc1)N2CCN(CC2)C(=O)NCCCCN(CCC)C3CCc4c(C3)scn4	61
+c1(NCCC)nc(ncc1I)Nc2cccc(c2)F	55
+c1cc(ccc1C#N)Nc2ncc(I)c(NCCC)n2	55
+c1c(C)c(c(cc1)C)NC(=O)OCCC	90
+O(C(Nc1cccc(NC(C=C(OC)C)=O)c1)=O)CCC	90
+C(COC(n1c2c(cc1-c3cnn(C)c3)cnc(Br)c2)=O)C	1825
+CCCOc1ccnc(O)c1C	8187
+N(=[N+]=[N-])Cc1ncc(OCCC)c(O)c1	4454
+c12c(C(C(=O)N=C1O)=CNCc3cc(c(OCCC)cn3)O)cc(cc2)Br	8188
+CCCOc1c(O)cc(CCl)nc1	512
+CCCOc1ccnc(S)c1C	4455
+c1cc(ccc1)Cn2c(cc(OCCC)n2)C(OC)=O	309
+C(O)(c1ccc(cc1F)Br)CCC	8189
+c1cc(ccc1OC)CN2CCCC(C(=O)CCC)C2	4456
+c1ccccc1COc2c(OC)ccc(c2)C=C(CC)[N+]([O-])=O	1734
+C(c1ccnc(c1N)C(=O)OCC)CC	1735
+CCCc1nccc(C=O)c1OCOC	4457
+N(c1cc(Cl)c(F)cc1)=Cc2ccnc(c2O)CCC	457
+CCCC1CCCNC1	8190
+CCCc1ccnc(c1)C(=O)N	1200
+CCCc1c(c(ccn1)C=O)O	2942
+O=S(=O)(Cl)c1cc(-c2nc(c3c(nn(c3n2)CCC)C)O)c(OCCC)cc1	240
+CCCn1cnc(CO)c1	1125
+Clc1cc(N)c(cc1)SCc2ncn(c2)CCC	8191
+CCCn1cnc(CCl)c1	1736
+C(C)OC(c1c2c(ccn2CC)c(Cl)nc1)=O	557
+c1(OCC)c(cc(cc1F)Br)OCC	4458
+c1cc(C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O)cc(c1OCC)OCC	4458
+c1(C(=O)OCC)c(C)cc(cc1OC)Br	1735
+c1c(c(OC)c(OCOC)c(c1)Br)OCC	116
+c1(c2c(ccc(OC)c2)c(Cl)nc1)OCC	788
+CC(C)(C)OC(N(C1CCN(c2c3c(ncc2)n(COCC[Si](C)(C)C)c4cnc(cc34)C#N)C1)CC)=O	2802
+Cc1n(C2=CC(=O)N(CC)C=C2)c(nc1C#Cc3cccc(Cl)c3)C	3477
+Cc1n(C2CCCCO2)nc-3c1C(N(c4ccc(cc-34)I)CC)=O	8192
+c1(OCC)cc(C)c(Br)c(C)n1	3761
+c1(NC(C)=O)c(c(CC)c(Cl)cc1)F	4453
+Clc1cc(c(N)cc1)C(=O)c2c(OCC)c(ccc2)OC	116
+C(C)N(CC)CC(C)N1c2ccc(Cl)cc2Sc3ccc(cc13)C#N	183
+FC(F)(F)C(c1ccc(c2nc3N(CCCn3c12)c4c(Cl)cc(Cl)cc4)Cl)OCC	481
+FC(F)(F)C(c1c2c(n(c1C)CC)cc(cc2)OC)=O	557
+FC(F)(F)c1cc(ccc1C#N)N(CC)C2CC(CCC2)N	2457
+FC(F)(F)c1cc(C=2C(C(=CN(CC)C=2C)C(NCc3ccc(cc3)S(=O)(=O)C)=O)=O)ccc1	8193
+FC(F)(F)c1cc(ccc1)N2N=C(c3ccnn3-c4ccccc4)C(C(OCC)=C2)=O	8194
+FC(F)(F)c1cc(ccc1)Nc2c3ncn(CC)c3nc(Cl)n2	8195
+FC(F)(F)c1cc(-c2nc(C#N)c3ncn(CC)c3c2)ccc1	1519
+FS(F)(F)(F)(F)c1ccc2c(c(cn2CC)CN3CCN4C(=CC=C(n5cc(nc5)C)C4=O)C3=O)c1	557
+CCN1C(CCNc2c1cccc2)=O	727
+Nc1c(c(cc(c1)C(=O)OC)OCC)I	116
+O(C)c1ncc(OCC)c(I)c1	788
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(OCC)cc3)C1=O)N(c4ccc5nc(oc5c4)C)C	116
+O=S(=O)(C)c1ccc(cn1)Oc2cc3cc([nH]c3c(OCC)c2)C(OC)=O	788
+O=S(=O)(CC)c1cc(F)c(cc1)Br	2456
+O=S(=O)(c1c(cc2c(c1)C(CNC(N3CC(=C(CC)C3=O)C)=O)CCO2)OCC)N	116
+CC1(C)CN(c2cc(c(cc12)Br)S(=O)(=O)CC)C(C)=O	2456
+C1CN(CCN1CC)c2n(ccn2)S(=O)(=O)N(C)C	183
+c1c(OC)ccc2c(C#N)cn(CC)c12	557
+c1(C)nc(OC)ccc1N2CCCn3c2nc4c(Cl)ccc(C(CC)OCC)c34	481
+c1(F)cc(cc(F)c1)OCC	116
+Fc1c(OCC)cccc1	116
+c1(I)c(F)cc(OC)c(OCC)c1	116
+C1C(CCCN1CC)CCn2c(OC)nc3c2nc(nc3N)OC(CCC)C	183
+c1([N+]([O-])=O)cc(OCC)ccc1C	116
+c1(cccc(OCC)c1Br)C(=O)C	116
+O=C(O)C(CC)c1ccccc1I	434
+O=Cc1cc2c(OC(C)C(=O)N2)c(c1)OCC	116
+c12c(ccc([N+]([O-])=O)c1)n(CC)nc2OC	2437
+c1([N+]([O-])=O)cc(OCC)c(I)cc1	116
+c1(C=O)cc(c(F)cc1)OCC	116
+c1(cc(cc(C)c1-n2c(c(Cc3c4c(ccc3OCC)cccc4)c(CC)n2)CC)Br)C	116
+c1(cc(N(CC)C(C)=O)ccc1)-c2nnc(cc2)Cl	727
+c1(C=O)cc(OCC)c(cc1)[N+]([O-])=O	116
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(COCC)cc(Br)c2	481
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(OCC)cc(c2)Br	116
+c1(c2[nH]ccc2ccc1)OCC	788
+CCn1c2ccccc2c(c1)C(OC)=O	557
+O(CC)c1ccc(C(=O)C)c(c1)O	116
+C(C)OC(c1cccc(F)c1C)=O	1735
+c1c(Br)c(Cl)ccc1C(=O)OCC	1735
+c1c(C)c(c(cc1)C)COc2cc(ccc2)C(CC)C(OCC)=O	434
+c1c(C)c(c(cc1C(OCC)CC)C)-n2nc(c(Cc3c4c(ccc3OCC)cccc4)c2CC)CC	481
+c1c(F)c(N)cc(OCC)c1Br	116
+c1c(O)cc(OCC)cc1CO	116
+c1c([N+]([O-])=O)cc(OCC)cc1C(=O)OC	116
+[O-][N+](c1cc(cc([N+]([O-])=O)c1)N(C(C)=O)CC)=O	727
+c1c-2c(C(CC)c3c(cccc-23)C)c(C)cc1C	8196
+c1c(cc(OCC)c(Cl)c1)Br	116
+C(C)N(CC)CC(N1c2c(Sc3c1cc(cc3)C#N)cccc2)C	183
+c12c(cccc1Br)ccn2CC	557
+C(OC1COCC1Oc2c(OC)ccc(C#N)c2)C	481
+c12ccc(OCC)cc1cc(cc2)OC(CC)C(=O)OC	116
+c1cc(ccc1)-c2cn(c3ccc(cc23)[N+](=O)[O-])CC	557
+c1cc(ccc1)COC(N2CC(OCC)C(Nc3c(ncc(CC)n3)CC)C2)=O	481
+c1cc(ccc1)COC(=O)N2CCC(CC2)CCCCC(=O)OCC	939
+c1cc(ccc1)N(CCOC)C(=O)C2=C3N(C=Cc4cc(sc34)CC)C(C(c5ccc(cc5)OCc6ccccc6)=C2)=O	8197
+c1cc(ccc1)OC(N2CCC34C(C2Cc5ccc(OCC)cc35)CCOC4)=O	116
+c1cc(ccc1-c2n(CC)c(cc2)C#N)NS(=O)(=O)CC	4459
+c1cc(ccc1Cl)-c2n(CC)ccc2C	4459
+c1cc(ccc1-c2c(Br)cn(CC)n2)[N+](=O)[O-]	1717
+c1cc(ccc1Cn2c3c(cccc3nc2SCC)C(=O)OCC)-c4ccccc4-c5[nH]nnn5	8198
+c1cc(ccc1Br)-c2nn(CC)cc2	1717
+c1cc(ccc1-c2noc(C)n2)N=C(C(SC)=NC(OC)=O)c3ccc(OCC)c(OC)c3	116
+c1cc(ccc1C(=O)N2CC(CC2)OS(=O)(=O)C)Cc3n(CC)c4ccccc4n3	1519
+c12c(cccc1)C(=O)N(C2=O)CCCN(CCc3ccc(cc3)Cl)CC	183
+c1cc(ccc1Cl)Nc2nc(Cl)nc3n(cnc23)CC	8199
+c1cc(ccc1F)Cc2cc3N(CC)C(C(=C(c3nc2)O)C(=O)OCC)=O	8200
+c1cc(ccc1SCC)O	4460
+O=S(=O)(c1ccc(cc1)C)N(CC)c2ccc(cc2[N+](=O)[O-])F	8201
+c1cc(ccc1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC)[N+]([O-])=O	183
+c1cc(ccn1)-c2sc(c(c2)NCC)C(OC)=O	8202
+c1cn(c2cccc([N+]([O-])=O)c12)CC	557
+c1ccccc1CN(Cc2ccccc2)c3c(F)c(-c4nn(cc4-c5ccncc5)CC)c(F)cc3	1717
+c1ccccc1COC(N(C)Cc2cc3ccccc3n2CC)=O	557
+c1ccccc1COC2=C(C(OCC)C)OC(C)=CC2=O	8203
+c1ccccc1COCCCOc2ccc3c(OC(C(=O)OCC)(CC)CC3)c2	8204
+c1ccccc1COc2cc(cc(OCC)c2Br)-c3ncc(o3)C	116
+c1ccccc1COc2cccc3c2nc(cc3C(OCC)=O)C	1735
+c1ccccc1COc2ccc(cc2)N3C(N(c4cccnc34)CC)=O	8205
+c1cc(ccc1)Cn2cnc3N(C(=O)N(C(c23)=O)CC)CCCC	8206
+c1c2n(CC)cc(c2ccc1OCC)C#N	116
+CCN1C(=O)C(=C(N=C1C)N2CCc3c(CC2)sc(N)n3)[N+]([O-])=O	8207
+n1cc(Br)cc(OCC)c1	788
+CCOc1cccnc1O	788
+C(CNCC)C(OCC)=O	1340
+CN(C)c1ccc(cc1)CNCC	42
+C[Si](C)(C)CCOCn1cc(C(=O)NC(CC(NCC)=O)C)c2c1ncc(C3CC3)n2	9
+COc1c(F)c(c(c(OC)c1)F)N(Cc2cnc(Cl)cc2Cl)C(NCC)=O	3638
+c1cc(ccc1F)-c2c3c(ncnc3sc2)OCCCOc4cc(ccc4)NC(=O)NCC	675
+ClC1(Cl)C(C(NCC)=O)(C)C1	68
+Clc1cc(C(NCC)=O)c(Cl)cc1	93
+Clc1cc(c(cc1)C(=O)O)NCC	205
+CCNc1ccncc1[N+](=O)[O-]	105
+FC(F)(F)C(c1cn(nn1)Cc2cc3cc(C(=O)NCC)c(n3cc2)-c4ccc(cc4)F)(O)CC	56
+FC(F)(F)C(CNc1cc(C)cc2n(ncc12)-c3ccccc3)(O)CNCC	122
+FC(F)(F)c1cc(c(cc1)-c2c(OC)ccc(CC(OCC)=O)c2)CNCC	42
+FC(F)(F)c1cc(c(-c2cc(CC(=O)OC)ccc2OC)cc1)CNCC	42
+FC(F)(F)c1cc(c(-c2c(ccc(CC#N)c2)OC)cc1)CNCC	42
+FC(F)(F)c1ccc(c(CNCC)c1)-c2c(ncc(Br)c2)OC	42
+FC(F)(F)c1c(NC(=O)c2c(nccc2)NCC)c(Cl)nc(C)c1	70
+FC(F)(F)c1cc2c(nc3c(C(N(C3)CC)=O)c2Cl)cc1	2943
+FC(F)(F)c1cc(CNCC)c(cc1)Oc2cccc(CC(=O)OC)c2	42
+FC(F)(F)c1ccc2c(nc(-c3c(SCC)cc(cc3)Cl)nc2NCC)c1	40
+FC(F)(F)c1nc(Cl)c(c(NCC)n1)[N+]([O-])=O	40
+C1CC(CCN1Cc2ccccc2)(C#N)NCC	8208
+CCNc1c(C#N)c(O)nc(C)c1	105
+N#Cc1ccccc1Nc2nn3c(n2)cnc(-c4cccc(C(NCC)=O)c4)c3	14
+N(c1c(C)cccc1Cl)CCCNCC	1130
+c1(c(N)c(C(NCC)=O)ccc1)F	1338
+C1COC2(CCC(CC2)NCC)O1	87
+n1cc(c(c(Br)c1)C)CNCC	249
+c1(c(-c2c(CNCC)cc(-c3ccc(nc3)OCC)cc2)cc(cc1)CC(=O)OCC)OC	42
+Clc1cc2Sc3c(cc(C#N)cc3)N(C(C)CNCC)c2cc1	285
+O=S(=O)(C)c1cccc(c1)-c2ccc(-c3cc(nn3-c4c(cccc4)Cl)CC(NCC)=O)s2	248
+O=S(=O)(NCC)c1c(c([N+](=O)[O-])ccc1Cl)Cl	71
+O=S(=O)(c1ccc(F)c(c1)C(=O)O)NCC	71
+O=S(=O)(NCC)c1c(cccc1)[N+]([O-])=O	71
+O=S(=O)(Nc1ccc2COB(c2c1)O)c3ccc(cc3CC(=O)NCC)OC	9
+O=S(=O)(c1c(cc(c(C(O)=O)c1)F)F)NCC	3442
+c1c2c(N(C(CNCC)C)c3c(cccc3)S2)cc(C#N)c1	285
+c1ccccc1COC(NCCCCNCC)=O	285
+O=S(=O)(c1cccc(-c2nc(nc(NCCc3ccc(cc3)OC)c2)OC)c1)NCC	71
+O=S(=O)(C)c1ccc(c(c1)CNCC)O	42
+c1cc(ccc1S(=O)(=O)Nc2cc(nc(NCC)c2)NC)N	340
+c12nc(n(C3C(O)C(C(CO)O3)O)c1nc(I)nc2N)NCC	8209
+C(NCCCSc1ncco1)(NCC)=C[N+]([O-])=O	2063
+[N-]=[N+]=NCC(CN1c2nc(ncc2C=C(C1=O)c3c(Cl)cc(-c4nc(cnc4)C)cc3)NCC)O	785
+c1c(c(ccc1)[N+]([O-])=O)NCC	60
+c1(-c2csc(n2)-c3cnccc3C)cc(ccc1)C(NCC)=O	14
+c1(Cl)c(Cl)ncc(C(NCC)=O)c1	56
+c1(C)c(C(=O)NCC)ncc(c1)[N+](=O)[O-]	780
+c1(Cl)ncc(CNCC)s1	4461
+CCNc1ncccc1[N+](=O)[O-]	70
+c1(OC)cc(C(=O)O)cc(C2=Cc3c(cc(nc3)NCC)N(C2=O)CC)c1	70
+c1(NCC)c(cnc(Cl)c1Br)[N+](=O)[O-]	105
+c1(c(Br)cccc1C(NCC)=O)N	14
+c1([N+]([O-])=O)cc(-c2nccc(OC)c2)ccc1NCC	60
+c1([N+]([O-])=O)cc(C(=O)O)ccc1NCC	60
+c1([N+]([O-])=O)cc(N)ccc1NCC	60
+c1ccc(c(c1)Cl)C(=O)NCC	93
+c1(c2cc([N+]([O-])=O)ccc2[nH]c1)C=3CCC(CC=3)NCC	4462
+c1(F)cc(cc(F)c1)-c2c(cc(Cl)c(C)c2C(=O)NCC)C(O)C	14
+c1(ccc(C(NCC)=O)cc1O)[N+]([O-])=O	14
+Clc1c2c(nc3CN(C(=O)c13)CC)cccc2	2943
+c12c(cc(C)c(Cl)c1)OC(C3=C2CCN(CC(C)NCC)C3)=O	87
+c1(c([N+]([O-])=O)cc2c(ncnc2c1)O)NCC	8210
+c12c(nc3ccc(cc3c1Cl)C#N)CN(C2=O)CC	2943
+c1c(C)c(c(cc1C)C)Oc2nc(cc(NCC)c2C)C	105
+c1c(C)nc(CNCC)cc1	294
+c1c(F)c(c(cc1)F)Cc2c(N(CC(=O)NCC)S(=O)(=O)c3cc(OC)c(OC)cc3)c(OC)ccc2	9
+c1c(CNCC)c(C)c([N+]([O-])=O)cc1	3550
+c1c(cc(c(I)c1)CNCC)Br	42
+c1c(ccc(Sc2cc(C(NCC)=O)ccc2[N+]([O-])=O)c1F)F	93
+c1cc2-c3c(CCOc2cc1C(NCC)=O)cc(C(N(c4c(Cl)cccc4)C)=O)s3	513
+c1(ccc(Cl)nc1NCC)C(=O)O	70
+c1cc(c(cc1I)NCC)C(=O)O	60
+c1cc(cc(-c2ccc([N+]([O-])=O)cc2CNCC)c1OC)CC(OCC)=O	42
+c1cc(cc(-c2ccc(-c3cnn(C)c3)cc2CNCC)c1OC)CC(OCC)=O	42
+c1cc(cc(-c2ccc(cc2CNCC)F)c1OC)CC(OCC)=O	42
+c1ccccc1-c2cccc(C(NCC)=O)c2	513
+c1cc(ccc1)-c2nc(-c3c(ccc(CCCN)c3)Cl)nc(OC)n2	8211
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5cc(Cl)ncc5c(NCC)n4	8212
+c1ccccc1COc2c(C(C)C)cc(-c3onc(c3)C(NCC)=O)c(OCc4ccccc4)c2	780
+c1cc(ccc1)Nc2c(C(=O)NCC)cnc(NC(NCC)=O)c2	56
+c1cc(ccc1C(NCC)=O)F	93
+c1cc(ccc1C(C)C(NCC)=O)I	9
+c1cc(ccc1C#CCc2ccc3C(C)(C)CCC(C)(C)c3c2)C(=O)NCC	93
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(-n4nnc(CCNCC)c4)c3)ccc1F)F	463
+c1cc(ccc1)C(C)(C)C(NCC)C(=O)O	4024
+c1cc(ccc1)C2(C=CCC=C2)CC(C)NCC	87
+c1ccccc1COc2c(C(=O)NC(C(O)C)C(=O)NCC)ccc([N+]([O-])=O)c2	9
+c1nc(ccc1C#N)NCC	340
+c1nc(ncc1C(NCC)=O)N2CC(Oc3ccccc3OCC)CCC2	484
+n1c(c(ccc1OC)N(C(=O)c2cccnc2NCC)C)Br	70
+CCNc1c(cccn1)-c2cscc2Br	182
+C(Nc1c(c(ncn1)N)C#N)c2c(cc3c(F)cccc3n2)CN(C)CC	40
+CCN(CC)CCCc1c(ccc(N)c1)Cl	15
+Oc1nc(-c2cc(c(OC)cc2)F)cc3cc(ccc13)OC	8213
+C(C)N(CC)C(=O)c1c(c2c(c(-c3ccc(cc3)OC)c1)cccc2)OC	11
+CCN(CC)C(=O)CCc1c(ccc(c1)N)Cl	1320
+C(C)N(CC)C(=O)CN(c1ccc(cc1)C)S(=O)(=O)c2ccc(cc2OC)C	8214
+C(C)N(CC)C(C(C#N)=Cc1cc(c(c(OC)c1)O)[N+]([O-])=O)=O	2204
+CCN(CC)c1nsc(N)c1C#N	8215
+CCN(CC)C(NC1CN(C2CC3CNc4cc([N+](=O)[O-])cc(C2C1)c34)C)=O	3592
+CCN(CC)C(NC1CN(C2C(c3cc([N+](=O)[O-])cc4n(cc(C2)c34)C(=O)C)C1)C)=O	2917
+CCN(CC)C(NC1CC2c3c4c([nH]cc4CC2N(C)C1)cc([N+](=O)[O-])c3)=O	8216
+CCN(CC)C(=O)Nc1c(-c2[nH]c3c(cc(NCCN(C)C)c(F)c3)n2)[nH]nc1	747
+C(C)N(CC)C(c1c([nH]c2ccccc12)C(=O)NN)=O	2944
+CN(C)CCc1nc(c2c(occ2)c1)O	8217
+CCN(CC)C(=O)c1cc(NC(Cc2ccc(cc2)OCC)=O)c(nc1)N	8218
+C[Si](C)(C)C#Cc1cc(-c2n[nH]c(c2C)C(=O)N3CC(N(CC)CC)CC3)ccc1	263
+CCN(CC)C1CN(C(=O)c2c(c([nH]n2)-c3cc(C#Cc4ccc(F)c(c4)Cl)ccc3)C)CC1	129
+c1cc(ccc1C#Cc2cccc(-c3c(C)c(C(N4CC(N(CC)CC)CC4)=O)n[nH]3)c2)Cl	129
+CCN(CC)C1CCN(C(c2c(C)c([nH]n2)-c3cc(ccc3)Br)=O)C1	147
+CCN(CC)CCOc1c(Cl)cc(Cl)c(c1)-c2c3c(sc(C#N)c3)nc(N)n2	8
+c1cc(ccc1CNCCN(CC)CC)Cl	132
+C(C)N(CC)CCCC(Nc1ccn2c(c(-c3cccc(Cl)c3)cn2)n1)C	2673
+c1cc(ccc1)-c2cc(NC(C)CCCN(CC)CC)c3c(cccc3)n2	105
+CCN(CC)CCCC(C)Nc1nc2n(ncc2Br)cc1	2447
+c1ccccc1-c2cc3c(C(C(=O)N3)=Cc4[nH]c(c(C(=O)NCCCN(CC)CC)c4C)C)cc2	292
+CCN(CC)CCCNC(=O)c1c(c(C=C2C(=O)Nc3ccc(cc23)Br)[nH]c1C)C	292
+C(C)N(CC)CCCOc1ccc(c(F)c1)[N+]([O-])=O	126
+C(C)N(CC)CCCOc1ccc(cc1)[N+]([O-])=O	57
+CCN(CC)CCCc1c(Cl)ccc(NS(=O)(=O)c2ccc(cc2)Oc3c(C#N)c(Cl)ccc3)c1	69
+O=S(=O)(c1ccc(F)cc1CCCN(CC)CC)Nc2ccc3c(ncc4occc34)c2C(=O)O	1
+c1cc(ccc1Cl)-c2c3C(C(Nc3ccc2)=O)=Cc4c(C)cc([nH]4)C(=O)NCCN(CC)CC	292
+CCN(CC)CCNC(=O)c1[nH]c(C=C2c3c(cccc3NC2=O)-c4cc(ccc4)Br)c(c1)C	292
+c1cc(ccc1F)-c2c3C(=Cc4c(c(c[nH]4)C(=O)NCCN(CC)CC)C)C(=O)Nc3ccc2	292
+O=S(=O)(C)c1cc(C2=NC(c3ccc(Cl)cc3S2)=O)nc(c1)CCC(OCCN(CC)CC)=O	27
+CCN(CC)CCOc1c(Cl)cc(c(-c2c3c(nc(n2)N)sc(-c4[nH]nnn4)c3)c1)Cl	8219
+CCN(CC)CCOc1c(Cl)cc(c(c1)-c2c3c(sc(c3)CO)nc(n2)N)Cl	2842
+CCN(CC)CCOc1ccc(cc1)C(N)CCC	474
+CCN(CC)CCOc1ccc(cc1)C(NC(=O)CC#N)CCC	9
+CCN(CC)CCOc1ccc(cc1)C(NC(C(C#N)=Cc2nc(Br)ccc2)=O)CCC	4463
+O(C)c1c(F)c(c(F)c(OC)c1)-c2c3c(nccn3)c(C(=O)Nc4[nH]c(CN(CC)CC)cn4)cc2	8220
+C(C)N(CC)Cc1sc(-c2nc(-c3c(cc(O)cc3)OC)no2)cc1C	4464
+C(C)N(CC)Cc1sc(cc1C)-c2nc(no2)-c3cc(c(c(c3)C)N)Cl	4464
+c1cc(ccc1S(=O)(=O)NCCO)-c2nc(-c3sc(CN(CC)CC)c(C)c3)on2	8221
+O=S(=O)(C=1C=CC=2N(C=1C)C(=O)NN=2)N(CC)CC	8222
+C1CCCN1c2cc(nc(n2)N(CC)CC)NCCNC3=C(C(C3=O)=O)Nc4ccc(cc4)Cl	3626
+C(C)N(c1cc(NC(C)=O)c(N=Nc2ccc([N+]([O-])=O)cc2OC)cc1)CCO	725
+COc1nc(N(Cc2sc(Cl)nc2)CC)c(Cl)cc1	91
+CCN(c1c([N+]([O-])=O)cc(F)c(Cl)c1)C(C)=O	77
+CCN1C(C(Br)=Cc2cnc(S(C)=O)nc12)=O	172
+O=S(=O)(c1ccc(C=2C(=O)N(CC)c3nc(SC)ncc3C=2)c(c1)C)N(C)C	1597
+O=S(=O)(C)c1c(C2=Cc3c(nc(nc3)SC)N(C2=O)CC)cccc1	1597
+N1c2c(N(CC)CCC1)cccc2	15
+O=S(=O)(c1c(CNC(C2CCN(CC)C2)=O)cc(cc1)F)Nc3ccc4c(c3C(=O)OC)OCC5CC45	9
+N1(CCCC1CNC(=O)c2c(OC)c(Br)cc(c2OC)Cl)CC	14
+c1cc(ccc1C(=O)NCC2CCCN2CC)Cn3c4ccccc4nc3Cc5c(cccc5Cl)Cl	14
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCCN5CCN(C(=O)C5)CC)CC2	8223
+c1([N+]([O-])=O)ccc(N2CC(N(CC2)CC)=O)c(F)c1	3518
+c1cc(ccc1)OC(Nc2cc(c(cc2F)F)C3=Cc4cnc(NC(CC#N)=O)cc4N(C3=O)CC)=O	90
+CCN1c2nc(F)ccc2N(C)C(c3c1ncc(c3)CCOc4cc[n+]([O-])c5c4cccc5)=O	924
+O=S(=O)(c1cc2c(OCCC2CNC(N3CC(=C(CC)C3=O)C)=O)cc1OCC)NC(=S)NCC	8224
+c1cc(ccc1SC(CC)C)OCCOC(=S)NCC	8225
+COc1nnc(-n2nc(cc2-c3ccc(cn3)C#N)C(=O)N(C)CC)cc1	147
+c1cc(CN(CCCn2c3c4c(cccc4)nc(N)c3nc2CCCC)CCCN(CC)C)cc(CC(OC)=O)c1	53
+c1c2c(ccc1)C(=O)N(C2=O)Cc3nc4cccc(c4cc3CN(C)CC)F	565
+c1cc(ccc1)Nc2c(C(=O)OCC)cnc(NC(=O)NCC)c2	2077
+c1sc(nc1-c2cnn(C)c2)-c3c(cnc(NC(NCC)=O)c3)Br	8226
+c1c(OC)cc(cc1-c2c(sc(NCC)n2)-c3nc(ncc3)Cl)OC	4465
+CCNC1CCc2ncsc2C1	2190
+c1ccccc1-c2cc3c(nc(-c4ccccc4)cn3)c(c2O)C(=O)NCC(OCC)=O	2485
+c1cc(ccc1)-c2c(nc3ccc(c(C(NCC(=O)OCC)=O)c3n2)O)NCc4ccccc4	2485
+CCN(N)C(Nc1sc(C)nn1)=O	2551
+Clc1cc(ccc1)NC(=O)N2Cc3c(CC2)[nH]nc3C(N(OC)CC)=O	1006
+c12n(cnc1c(Cl)ncc2)CC	919
+CCNc1c(N)c(Cl)ncc1	13
+CCNc1ccnc(Cl)c1[N+](=O)[O-]	4466
+CCNc1c(N)cccn1	13
+COc1cc(Cl)c(cc1Br)C(=O)O	329
+C(Cc1c2ccc(cc2oc1)OC)(OCC)=O	8227
+c1(c2CC(c3c(Sc2ccc1)ccc(OC)c3)=O)C(=O)O	329
+C(C)OC(c1c(ccc(OC)c1)Br)=O	47
+C(Cc1c([N+]([O-])=O)cccc1OC)(OCC)=O	2061
+Cc1c(COc2nnc(cc2)C(=O)OCC)c(no1)-c3cc(F)ccc3	2945
+Cc1c(cc2ccc(cc2n1)O)C(=O)OCC	342
+c1(C(=O)C)c(ccc(C)c1)OCC	126
+C(C)OC(c1c[nH]c(C(=O)C)c1)=O	4467
+Clc1cc(Cl)c(cc1)C2C(c3ccccc3C(=O)N2C4CCCCC4N)C(=O)OCC	456
+Clc1cc(c(C)cc1)C(=O)OCC	1533
+Clc1cc(ccc1)Nc2nc(-c3cc(ncc3)C(=O)O)ncn2	1696
+Clc1ccc(Cl)c(c1)CC(=O)O	270
+Clc1ccc2SCCC(C(OCC)=O)c2c1	27
+Clc1cccc(-c2cccc3NC(=O)Cc23)c1	1052
+Clc1cn(nc1)-c2ccc(C(C)C(OCC)=O)cc2Cl	27
+n1c(cccc1OCC)N	91
+CCOC(=O)c1ccnc(Cl)n1	226
+C1CCCCC1Cn2c3c(cccc3Cl)c(C(O)=O)c2	4468
+FC(F)(F)C(C)CCC(O)=O	270
+FC(F)(F)C(F)(F)c1ccc(cc1)C(=O)O	329
+FC(F)(F)C1Oc2c(COCC)cc(C)cc2C=C1C(=O)OCC	8228
+FC(F)(F)CC(C)(C)CC(=O)O	270
+FC(F)(F)Cn1c2c(c(C(O)=O)c1)c(ccc2)Cl	4468
+FC(F)(F)Oc1cccc(c1)C(=O)OCC	47
+FC(F)(F)Oc1cc(cc(Cl)c1)CC(OCC)=O	27
+FC(F)(F)Oc1ccc(cc1)-c2cc(CC(O)=O)n(n2)C	270
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C3CCCCC3)n2)Cc4ccc(cc4)C(=O)O	329
+FC(F)(F)c1cccnc1OCC	91
+FC(F)(F)c1ccc(cc1[N+](=O)[O-])C(OCC)=O	47
+FC(F)(F)c1cc(-n2c(C)ccc2C)c(nc1OCC)C(OC)=O	2055
+FC(F)(F)c1cc(C(=O)O)cnc1N2CCOCC2	2160
+FC(F)(F)c1cc(C(C(OCC)=O)CC(C)C)ccc1[N+]([O-])=O	27
+FC(F)(F)c1cc([N+](=O)[O-])c(Cl)c(C(=O)OCC)c1	279
+FC(F)(F)c1cnc2sc(-c3ccncc3OCC)nc2c1	870
+FC(F)(F)c1ccc(cc1)-c2nn(C)c(CC(O)=O)c2	270
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)CC(O)=O	8229
+FC(F)(F)c1ccc(cc1)CNC(c2c(ccc(CC(O)=O)c2)OC)=O	4308
+FC(F)(F)c1cc(ccc1)N2C(C(C(OCC)=O)CC2)=O	8230
+FC(F)(F)c1cccc(c1)Nc2nc(-c3ccnc(C(=O)O)c3)ccn2	1696
+FC(F)(F)c1c(Br)c(ncn1)OCC	145
+FC(F)Oc1c(ccc(c1)CC(OCC)=O)Cl	27
+FC(F)Oc1ccc(CC(OCC)=O)cc1OC	27
+Fc1cc(c(F)cc1C)C(OCC)=O	47
+O=C(OCC)Cc1ccccc1F	27
+CCOC(c1cc(I)c(O)nc1)=O	342
+CCOc1c(C#N)cc(c(C)n1)[N+](=O)[O-]	91
+Clc1c(C(=O)O)cc(Br)c2c1CC(C)O2	329
+N1(C(=O)C)c2cc(C)cc(C)c2C(CCC(OCC)=O)C1	456
+CCOC(c1cccnc1N)=O	342
+c1(cc(Cl)c(N)cc1OC)C(=O)OCC	47
+C(Cc1ccc(N)cc1F)(OCC)=O	456
+C(C)OC(c1c(ccc(N)c1)O)=O	47
+Nc1cc(OC)c(cc1F)C(=O)O	329
+C(C)OC(=O)c1ccc(N)c([N+]([O-])=O)c1	1533
+Nc1cccc(c1C(=O)OC)F	8231
+CCOC(=O)c1c(N)cccn1	226
+O=C(O)C1CC=C(CC1)c2ccc(c3OCCOc23)OC	270
+S1c2cc(ccc2C=Cc3c1ccc(F)c3)C(=O)O	329
+c1(-c2cn(Cc3ccccc3Cl)cn2)nccc(C(=O)O)c1	329
+c1cc(cc(Oc2c(CC(O)=O)cccc2)c1)F	270
+c1(c(c(C)ccc1)OCC(=O)O)COCCCNc2ccc3c(cccc3)n2	270
+c1(c2ccc(cc2c(nn1)Cc3ccc(c(c3)C(=O)O)F)Br)O	329
+c1(c2cccc(Cl)c2c(nn1)Cc3ccc(c(c3)C(=O)O)F)O	329
+C(c1ccnc(N2NC=C(c3cnccc3)C2=O)c1)(=O)O	329
+C(c1cc2c(cc1)c[nH]n2)(=O)O	329
+c1c(Cl)c(Oc2c(cccc2)C(=O)O)ccc1Cl	329
+c1(F)cc(cc(F)c1)Oc2cc(cc(c2)C(=O)O)OC(COC)C	329
+c1c(c(Nc2cc(C(=O)O)ccc2[N+]([O-])=O)ccc1F)F	329
+c1c(ccc(c1Cl)Cl)CCCC(=O)O	270
+C(c1ccc(Cl)c(c1)C(=O)O)C(=O)O	270
+c1cc(ccc1)-c2c3c(no2)cc(cc3)CC(=O)O	270
+c1ccccc1C(c2ccccc2)N3CC(C3)(C(O)=O)NCc4ccccc4	270
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)C(c4cc(F)cc(c4)C(=O)O)C(C)(C)F	329
+c1cc(ccc1)COc2c(ccc(CC(O)=O)c2)Cc3ccc(cc3)CC	270
+c1ccccc1Cc2ccccc2CC(=O)O	270
+c1cc(ccc1)Oc2c(c(CC(O)=O)ccc2)OC	270
+c1cc(ccc1C(C2CCC2)=O)CC(O)=O	270
+c1cc(ccc1Sc2c(nc(N)nc2C)NCCCC)CC(O)=O	270
+c1cc(ccc1CN(C)CCc2cnn(-c3nccc(C(=O)O)c3)c2)F	329
+c1cc(ccc1Cl)Cn2c3c(nc(C(=O)O)nc3nc2-c4c(ccc(C)c4)OCCC=C)NC(C)C5CC5	8232
+c1cc(ccc1)-c2c(c(C(O)=O)ccc2)F	329
+c1ccccc1-c2ccnn2-c3cc(ccn3)C(O)=O	329
+c1cc(ccc1)C(CC(O)=O)Cc2cccc(OC)c2OC	270
+c1ccccc1C(c2cc(ccc2)OC)CCC(O)=O	270
+c1ccccc1CCOc2ccc(cc2CCCC(=O)O)Cl	270
+c1ccccc1COc2ccc3c(cc(cc3)C(=O)O)c2	329
+c1cc(ccc1)COc2nn(Cc3ccccc3)cc2CC(=O)OCC	2418
+c1ccccc1Nc2cnc(cc2)C(O)=O	1696
+c1ccccc1Sc2ccc(cc2CC(=O)O)F	270
+c1nc2Nc3cc(ccc3Sc2nc1)CC(O)=O	270
+C(c1nc(C)ccc1Cl)(=O)O	1696
+C(OC(CC(c1cccc(c1)F)=O)=O)C	4469
+Clc1cc(F)c(cc1)C(CC(OCC)=O)=O	4469
+O1c2c(ccc(C=3CCC(C(OCC)=O)CC=3)c2OCC1)OC	456
+c1(ccc(cc1Cl)NCC(=O)OCC)Cl	27
+CCOC(c1cc(c(F)c(F)c1F)F)=O	47
+CCOC(=O)c1cc(c(c(OC)c1F)F)F	47
+CCOC(c1c(O)c(O)c(Br)cc1)=O	47
+O=C1CC(CC(=C1)OCC)c2ccccc2O	8233
+c1[nH]c2c(c1CCC(OCC)=O)cc([N+]([O-])=O)cc2	2198
+O=Cc1ccccc1OCC(=O)OCC	27
+c1(C)c(ncc(c1)[N+](=O)[O-])C(OCC)=O	4470
+c1(C)cc(ncc1[N+](=O)[O-])C(OCC)=O	4470
+c1cc(ccc1)C(C(=O)OCC)CC=C	1838
+c1ccccc1CCCN(Cc2cccc(c2)-c3cnc(C(=O)OCC)cc3)C	8234
+C(OCc1ccc(nc1)C#N)C	8235
+Cn1ncc2CCc3c(c(sc3C(=O)OCC)OCC)-c12	8236
+O=S(=O)(c1sc2ccc(cc2c1)CS(=O)CCN(C)C)N	8237
+c1(C(C(OCC)=O)C)ncccc1Cl	4471
+c1cc(ccc1)-c2c(c(on2)C)COc3ccc(nn3)C(=O)OCC	2945
+c1cc(ccc1-c2nnn(C)c2COc3ccc(C(=O)OCC)nn3)F	2945
+Oc1c(CNC(C(=O)OCC)CO)cccc1	27
+c1c(O)c(c(cc1C(=O)OCC)O)Br	47
+c1(OCC)cc(C)[n+]([O-])c(Br)c1	1210
+[N+](c1cc(c(F)cc1F)CC(=O)OCC)([O-])=O	27
+CCOC(=O)c1n[nH]cc1[N+](=O)[O-]	226
+C(C)OC(=O)c1cc(nc(Cl)c1)N	47
+c1(C)cc(C(OCC)=O)cnc1N2CC(C)NCC2	342
+c1(CCC)c(O)c(cc2c(NCC)cc(nc12)C(=O)OCC)C(=O)C	226
+O(c1c(c(C)c(Cl)nn1)C)CC	485
+n1c2c(cc(c(F)c2)F)c(O)c3c(C)nn(-c4ncccc4)c13	8238
+c1([N+]([O-])=O)cc(c(Cl)cc1F)CC(OCC)=O	27
+Clc1ccc(Nc2c3cc([N+]([O-])=O)c(OCC)cc3ncn2)c(F)c1Cl	724
+c1c(c(cc(c1)Nc2c3cc([N+]([O-])=O)c(OCC)cc3ncn2)Cl)OCc4cccc(F)c4	724
+c1ccc(cc1C#C)Nc2c3cc([N+]([O-])=O)c(OCC)cc3ncn2	724
+C(Cc1c(Cl)ccc([N+]([O-])=O)c1)(OCC)=O	27
+C(C)OC(c1ccc([N+]([O-])=O)cn1)=O	226
+C(C)OC(c1cnc2c(ccc([N+]([O-])=O)c2)n1)=O	1910
+CCOC(c1[nH]nc(c1)[N+](=O)[O-])=O	226
+C(C)c1c(cccc1)CC(=O)O	4472
+c1(c(F)c(-c2cccc3NC(=O)Cc23)ccc1)F	1052
+c1(c2c([nH]c3c(nc(Cl)nc23)OCC)cc(c1)Br)OC	3717
+c1c2c(ccc1O)c(ccc2)C(=O)OCC	47
+C(C)OC(c1cc(c(N)cc1[N+]([O-])=O)O)=O	47
+c1(cc(cc(C)c1[N+](=O)[O-])COCC)C	149
+c1(cc(ccc1)O)C(NC)CC(OCC)=O	456
+c1cccc(c1OCCC)-c2nc(cc(n2)O)C(=O)OCC	226
+c1(cc2c(cc1O)OCCC2C(OCC)=O)Cl	27
+CCOC(c1cc[nH]c1)=O	342
+c1(ccc(c(c1F)F)C(OCC)=O)F	47
+C(C)OC(=O)c1ccc([N+]([O-])=O)cc1F	47
+c12c(nc(nc1OCC)N)nc[nH]2	3722
+c12c(c(ccc1C(=O)OCC)N)OCCO2	47
+c12[nH]cnc1ccc(c2)C(=O)OCC	47
+c12nc(nc(c1c(n[nH]2)SC)OCC)Cl	2557
+c1ccc2NC(=O)Cc2c1-c3cc(ccc3)Br	1052
+c12c(ccc(OCC)c1)CCC2CCNC(C)=O	126
+c12c3c(ccc1cccn2)c(cc(C)n3)OCC	260
+c1c2c(cccc2)cnc1OCC	91
+C1(Nc2cccc(-c3ccccc3F)c2C1)=O	1052
+c1c(Br)c(CC(OCC)=O)cc(O)c1F	27
+C(C)OC(c1cccc(O)c1C)=O	47
+CCOC(c1c(cccc1)Oc2cc(ccc2)F)=O	47
+c1c(Br)c(F)ccc1C(=O)OCC	47
+n1c2c(ncc1)cc(C)c(Br)c2	8239
+c1c(C)nc(cc1)-c2[n+]([O-])c(C)cc(OCC)c2	1210
+c1c(cc(C)c(c1)C(=O)OCC)Br	47
+C(=O)(Cc1ccc(c(c1)OC)Oc2c([N+](=O)[O-])c3c(nccc3)cc2)OCC	456
+c1c(cc2c(c1)nc(NC)nc2OCC)Br	145
+c1c(C(C)C(OCC)=O)ccc(N)c1[N+]([O-])=O	27
+C(C)OC(C=1Sc2ccc(cc2C(=O)C=1)O)=O	8240
+C(OC(CCc1cc(ccc1)O)=O)C	27
+C(OC(CCc1cc2c([nH]1)c(F)cc(c2)Br)=O)C	27
+c1c2c([nH]cc2CCC(OCC)=O)ccc1	27
+c1(OCC)c2n(c3ccccc3n1)ncc2C(=O)OCC	8241
+c1c2c(n[nH]c2CC(=O)OCC)ccc1	27
+c1c2c(oc1CCCCBr)cc(cc2)C(=O)OCC	47
+c1(ccc2cc(ccc2n1)O)C(=O)OCC	226
+c1(-c2cc(cc(-c3ncccc3)n2)OCC)ncccc1	260
+C(OCc1ccc(c(C#N)c1)OC)C	555
+c1cc(F)cc(-c2cccc3NC(=O)Cc23)c1	1052
+O(c1nc(NC)c(cc1)[N+]([O-])=O)CC	91
+c1cc(cc(c1OC)F)C2C(CC(=O)O)C2	4472
+c1ccccc1-c2cc3cccc3oc2CC(OCC)=O	27
+c1cc(ccc1)-c2ccc(C(C(OCC)=O)C)cc2F	27
+c1cc(ccc1)C(c2ccccc2)C3CCN(CC3)C(=O)COCC(=O)OCC	27
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)C(C(C)(C)F)c4cc(cc(c4)F)C(=O)OCC	47
+C1CN(CCC1(C(OCC)=O)Nc2cc(C)ccc2)Cc3ccccc3	27
+c1cc(ccc1)Cc2cnc(C(=O)OCC)cc2	8242
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3cccc(c3)C(C4CC4)CC(=O)OCC	2198
+c1cc(ccc1Cn2c3c(C(=O)OCC)cccc3nc2OCC)-c4c(C#N)cccc4	8243
+c1cc(ccc1F)-c2cccc3NC(=O)Cc23	1052
+c1cc(ccc1-c2c3c(ccn2)c(CC(OCC)=O)ccc3)[N+](=O)[O-]	27
+c1cc(ccc1-c2oc(-c3ccccc3[N+](=O)[O-])nn2)C(OCC)=O	47
+c1cc(ccc1Br)-c2c(CC(=O)OCC)c(C)no2	27
+c1cc(ccc1Br)C(C(=O)OCC)(N)C	27
+c1cc(ccc1C(C)OCC)C(=O)OC	2774
+c1cc(ccc1C(=O)c2ccc(OCC(=O)OCC)c(Cl)c2Cl)O	27
+c1cc(ccc1C(=O)OCC)C#N	47
+c1cc(ccc1Cl)C(CC(OCC)=O)c2c3cccc(CSCC)c3[nH]c2	2198
+c1cc(ccc1CC2(CC(OCC)=O)CCCN(C(C)=O)C2)C	4282
+c1cc(ccc1Br)CCc2c(C(=O)OCC)cccc2	8244
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(OCC)n3)OC	91
+c1cc(ccc1CN(Cc2n(ccn2)C)Cc3[nH]ccn3)CN(CCC(=O)OCC)CCCCN(CCC)CCC	456
+c1cc(ccc1-c2c3c(NC(=O)C3)ccc2)Cl	1052
+c1cc(ccc1F)-c2c(c(nc(c2C(OCC)=O)C(C)C)C(C)C)COCC	8245
+c1cc(ccc1-c2ccc3c(c(OCC)ncn3)c2)F	145
+c1cc(ccc1OCC)C(C2CCN(CC2)CC(O)=O)=O	57
+c1cc(ccc1F)C(c2ccc(cc2)F)(CCCBr)C(OCC)=O	204
+c1cc(ccc1CC(OCC)=O)I	27
+c1cc(ccc1N2CC(CC2=O)C(OCC)=O)F	27
+c1cc(ccc1Nc2ncnc3cc(OCC)c([N+]([O-])=O)cc23)Oc4ccccc4	724
+c1cc(ccc1O)CC(OC)C(OCC)=O	27
+c1cnccc1-c2c3CC(Nc3ccc2)=O	1052
+c1cc(ncc1Br)CNC(CCC(OCC)=O)=O	27
+CCOC(=O)c1n[nH]c2c1cccn2	226
+c1cc2c(c(OCC)c(C#N)cn2)cc1I	260
+c1cc(ccc1)C(c2ccccc2)(C(C(OCC)=O)O)C	4473
+c1ccccc1C=2CCN(CC=2)CCCCc3c[nH]c4ccc(cc34)C(=O)OCC	47
+c1cc(ccc1)CC(O)C(=O)OCC	27
+c1ccccc1CCCC(C(OCC)=O)C	27
+c1cc(ccc1)CN2C(C(OCC2=O)C)C(=O)OCC	27
+c1ccccc1CN2CCC(CC2)N(C)CC(OCC)=O	27
+c1ccccc1COCCC(C2OCCO2)CCCO	8246
+c1ccccc1COc2cnc(C(OCC)=O)cc2O	226
+c1cnccc1N2CCC(CC2)C(=O)OCC	27
+CCOC(=O)c1nn2C(=S)Nc3c(cccc3)-c2c1	226
+n1c(N)nn2cc(-c3cc(ccc3)C(=O)OCC)ncc12	47
+n1cccnc1-c2c(C(N3CC(CCC3C)Oc4cc(OCC)ccn4)=O)ccs2	2467
+c1cc(c(c(F)c1F)COc2cc(c(Cl)cc2OC)Nc3c(c(ncn3)OCC)[N+]([O-])=O)OC	145
+n1n2c(N)nnc2c(c(CC)c1OCC)C	485
+n1nccc(C(OCC)=O)c1N	342
+OB(O)c1cc2c(CCC2)cc1OC	3358
+c1cc(C(=O)OC)cc2OCCc3c(-c12)sc(c3)C(N(c4c(Cl)cccc4)C)=O	8247
+c1cc(ccc1)CN2CCC(CC2)(O)C(OC)=O	8248
+c1(C)cc(cc(C)c1C(C(=O)C)C#N)Cl	1260
+c1cc(ccc1)CN2C3CC(CC(OCC)=O)(CC2C(F)(F)C3)O	3601
+c1cc(ccc1C2C(C2)CC(=O)O)Br	4292
+c1nc(C(=O)C)ccc1C	8249
+c1c(F)c(c(cc1)F)C(C#N)C(C)=O	1260
+c1c(F)c(c(cc1OC)F)C(C(C)=O)C#N	1260
+c1cc(ccc1)C(Cc2ccc(cc2)OC)(CC(OCC)=O)O	3660
+c1cc(ccc1Cl)Nc2ncc(cc2Cl)C(=O)CC(=O)C	2201
+c1cc(ccc1C(CC(=O)C)=O)F	2201
+c1cc(ccc1F)CCN2CCC(CC2)N3c4cc(C(C)=O)ccc4CC3	8250
+c1ccccc1-c2cc(c(C)cc2)C=O	8251
+Fc1cccc(F)c1COc2cccc3c(C(OCC)=O)c(C)nn23	2169
+O=S(=O)(C)c1ccc(Oc2cc3cc([nH]c3c(OC)c2)C4=NCC(S4)CC(=O)OCC)cn1	892
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c([nH]c(C4=NCC(S4)CC(=O)OCC)c3)c(c2)C	892
+O=S(=O)(c1ncc(Oc2cc3c([nH]c(C4=NCC(S4)CC(=O)OCC)c3)c(c2)OCC)cc1)C	892
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C=4SC(CN=4)CC(=O)OCC)[nH]3)c2)CC)cn1	892
+O=S(=O)(N(C)c1cccc2c1[nH]c(C3=NCC(CC(=O)OCC)S3)c2)c4cccs4	892
+O=S(=O)(N(c1c2[nH]c(cc2ccc1)C=3SC(CN=3)CC(=O)OCC)C)c4ccccc4OC	892
+O=S(=O)(N(C)c1ccc(c2c1[nH]c(C=3SC(CC(=O)OCC)CN=3)c2)C)c4cccs4	892
+Cc1c(nnn1-c2cc(Cl)c(F)cc2)C(=O)OCC	8252
+c1c(OC(=CC(OCC)=O)C)c2c(cccc2)cc1	8253
+CCOC(=O)c1c(C)onc1-c2c(cccc2)F	2366
+c1cc(ccc1F)-c2c(c(on2)C)C(OCC)=O	2366
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(cc([nH]3)C4=NCC(S4)CC(=O)OCC)c2	8254
+c1cc(ccc1S(=O)(=O)C)Oc2cc3c([nH]c(c3)C4=NCC(S4)CC(=O)OCC)c(OC(C)C)c2	892
+c1cc(ccc1)COc2cc(C)cc3c(C(=O)OCC)c(C)nn23	2169
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)C(=O)OCC	4474
+c1cc(ccc1Cl)-c2nc(sn2)C(=O)OCC	4474
+C(OCC)(=O)C(=CNc1ccccc1C(C)=O)C(CCC)=O	8255
+O=C(OCC)C(C(=O)OCC)(NC(C)=O)CCc1ccc(cc1)Sc2ccccc2	165
+C(C(C)C(OCC)=O)c1c(cccc1)-c2ccccn2	8256
+O(C(=O)C(C(OCC)=O)(Cc1ccc(cc1)Br)C)CC	8257
+c1cc(ccc1-c2ccc(cc2)OCc3ccccc3)CC(C(OCC)=O)C(OCC)=O	11
+CC(C)CC(C(=O)OCC)c1cc(c([N+]([O-])=O)cc1F)F	4475
+C(C)OC(=O)C(C(=O)OCC)(CC(=O)c1ccc(c(F)c1)C)O	8258
+CC(C)CC(C(=O)O)C(OCC)=O	3
+CC(C)CC(C(O)=O)C(O)=O	8259
+CCOC(=O)C(C(OCC)=O)(CC(C)C)c1c(cc(c(F)c1)[N+](=O)[O-])F	8260
+O=C(OCC)C(C(=O)OCC)CCCOc1cc(ccc1)C#CCCCCCC	20
+O(CC)c1c(c(ccc1)F)C2CC(C(=O)N2Cc3cccc(-c4nc(Cl)cs4)c3)C	1737
+Fc1c(Oc2c(OC)c(ccc2)C(C)C(O)=O)cccc1	3
+c1([nH]nc(C(C(=O)O)C)c1)C	3
+FC(F)(F)c1cc(Cl)n(CC=2N=C3N(C(C(C(=O)OCC)C)=C(C)S3)C(C=2)=O)n1	8261
+c1c2ncc(C(=O)OCC)n2ccc1OCCOC	2936
+c1cc2ncc(n2cc1Br)C(=O)OCC	2936
+CCOC(=O)C(CC=O)C	465
+c1([N+]([O-])=O)cc(c(Cl)cc1F)OC(C(OCC)=O)CCBr	289
+c1cc(ccc1OCc2n(CCC(C(OCC)=O)C)c3cccc(C)c3n2)Cl	656
+Clc1cc(cc(Cl)c1)C=2CC(ON=2)(C(OCC)=O)CO	8262
+FC(F)(F)Oc1ccccc1-c2cccc(-c3nc(C(OCC)=O)sc3)c2	2946
+c1(csc(C(=O)OCC)n1)-c2cc(Br)c(c(Br)c2O)O	2946
+Cc1c(sc(C(=O)OCC)n1)Cc2cc(ccc2)Br	8263
+c1c(cc2-c3nc(C(=O)OCC)sc3CCOc2c1)Br	8264
+c1cc(ccc1C(O)=O)-c2csc(n2)C(OCC)=O	2946
+N(C(c1sccc1)=O)C(C(OCC)=O)C	8265
+CCOC(=O)C(OCC)N1C=CC=C(N)C1=O	8266
+c1cc(ccc1)NC=2C(=O)N(C(C(OCC)=O)OCC)C=CC=2	8267
+OC(C(C)c1ccc2NC(=O)Nc2c1)=O	3
+c1(N)c(c2c([nH]1)cncc2)C(OCC)=O	8268
+N(=C(C(=O)O)c1csc(N)n1)OCC	3
+FC(F)(F)Cc1ccc(cc1)N2C(C3(CC(=O)NCC3)CC2)=O	2007
+FC(F)(F)Oc1ccc(cc1)N2C(C3(CC(=O)NCC3)CC2)=O	2007
+c1cccc(N2N(C)C=C(C(=O)O)C2=O)c1OC	108
+O=S(=O)(C)CCCOc1cc(c(cn1)-c2ccc(F)c(COc3ncc4C5C(C5C(OCC)=O)Cc4c3)c2)C	1424
+c1c(C)c(c(cc1)C)-c2nc(COc3ncc4C5C(C(OCC)=O)C5Cc4c3)c(F)cc2	8269
+C1(C(OCC)=O)CCc2c3cc(ccc3[nH]c12)Br	8270
+CCOC(=O)C1=CN(N(c2c(cccc2)OC)C1=O)C	8271
+N1(c2ccccc2N=C(C(O)=O)C1=O)CCO	3
+C=1(CO)CCCC=1c2c(cccc2)F	2947
+c1cc(c(cc1CN2CCOC(C2)CNC(=O)CSc3nc(cs3)C(=O)OCC)Cl)Cl	8272
+O(C(CCNC(C)CC(=O)OCC)=O)CC	1340
+C(OC(C=Cc1cnc(N)c(C(OCC)=O)c1)=O)C	1953
+c1cc(ccc1OCC2(CC(C)C)Oc3c(c(C)c(OC(C)=O)c(C)c3C(=O)C2)C)CC(C(=O)OCC)Cl	1659
+c1cc(ccc1CC(C(=O)OCC)Cl)OCC2(CCc3c(C)c(OC(C)=O)c(c(C)c3O2)C)C	1659
+c1cc(ccc1OCC2(Oc3cc(Cl)c(cc3C(C2)=O)OC(C)=O)C)CC(Cl)C(OCC)=O	1659
+CC1(C)C(N(C)c2cc(C=CC(=O)OCC)ccc2N(CC)C1=O)=O	8273
+FC(F)(F)c1c(F)cc(-c2cc(c(N)c(c2)C=CC(OCC)=O)F)cc1	233
+FC(F)(F)c1c(cc(c(C=CC(=O)OCC)c1)N)F	233
+FC(F)(F)c1cc(c(C=CC(OCC)=O)cc1)Cn2nc(nn2)C	233
+c1(C)cc(C=CC(OCC)=O)cnc1Br	4476
+c1(F)c(Br)cc(C=CC(OCC)=O)c(N)c1	3998
+O(CC)C(C=Cc1ccc(N)cc1F)=O	233
+c12c(CCN(CC1)C(OCC)=O)cc(C=CC(OCC)=O)c(N)c2Cl	233
+O(CC)C(C=Cc1cc(c(c(F)c1)F)O)=O	233
+O(CC)C(C=Cc1cc2CC(CCCc2cc1)=O)=O	233
+O(CC)C(C=Cc1ccc(cc1C)F)=O	233
+c1cc(ccc1C=CC(=O)OCC)-c2csc(N)n2	233
+c1cc(ccc1C#N)C=CC(=O)OCC	233
+O(CC)C(C=Cc1ccc(nc1)Cl)=O	4476
+c1ccccc1CNc2c(c(nc(N)n2)C)C=CC(=O)OCC	4349
+c1cc(ccc1)OC(=CC(OCC)=O)C	8274
+c1c(c(cc(F)c1N)C(=CC(OCC)=O)C)F	8275
+CCOC(=O)C=Cc1c(CC#N)cccc1	163
+c1(c(cccc1)CCC(OCC)=O)CC#N	159
+Oc1nc2c(cc1)cnc(Br)c2	8276
+c1cc(CCC(OCC)=O)c(C)cc1Oc2cc(OC)ccc2C	159
+c1(C=CCO)c(cccc1)Br	4216
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(OCC)=O)=O	14
+O=S(=O)(c1cc2c(ncnc2O)cc1)n3cc(cc3)C=CC(=O)OCC	917
+c1c(OC)ccc(CCC(OCC)=O)c1OC	159
+c1nc2c(nc1O)ccnc2Cl	8277
+C(OC(CNc1c(cc(Cl)c(I)c1)OC)=O)C	4477
+c1(F)cc(cc(F)c1C(C(OCC)=O)O)OCC	4478
+O=C(CNc1c(O)cc(c(Cl)c1)Cl)OCC	4477
+O(C(=O)C(O)c1c(O)ccc2ccccc12)CC	4478
+c1cc(ccc1)COC(=O)Nc2cc3[nH]c4c(c3cc2)c(-c5ccccc5F)cnc4C(OCC)=O	8278
+c12nc(C(OCC)=O)n(CCCCCCCCCCCCCCCCCC)c1cccc2	8279
+c1c(OC)ccc2c1n(CC(OCC)=O)c3CCCC(=O)c23	256
+C(OC(Cn1c(cc2cc([N+]([O-])=O)ccc12)C)=O)C	256
+Clc1cc(-n2c3c(cc(OC)cc3)cc2)c(NCC(OCC)=O)cc1	1230
+Clc1cc(c(NCC(OCC)=O)cc1)Oc2ccc([N+]([O-])=O)cc2Cl	1230
+Clc1ccc(CNC(=O)c2c(nn(CC(=O)OCC)c2)OCC)c(Cl)c1	764
+c12c(ccc(Cl)c1)CC(N(CC(=O)OCC)CC2c3ccccc3Br)=O	584
+FC(F)(F)COCCOCCOCCOCCOCCOCCOCC(OCC)=O	337
+FC(F)(F)COc1c(OCC(=O)OCC)cccc1	52
+FC(F)(F)c1c(c2c(c(ccc2)-c3c(C)n(C)nc3C)n1CC(OCC)=O)CCCOc4cc(C)c(c(c4)C)Cl	256
+FC(F)(F)c1c2CCN(CC(=O)OCC)Cc2n(CC(Nc3c(OC)ccc(Cl)c3)=O)n1	303
+FC(F)(F)c1cc(n(n1)CC(OCC)=O)Cl	764
+FC(F)(F)c1ccc(cc1)-c2sc(c(n2)C)CCC(=O)c3cc(C)c(cc3)OCC(OCC)=O	52
+FC(F)(F)c1n(nc(-c2cc([N+](=O)[O-])c(OCC(OCC)=O)cc2F)c1Cl)C	52
+FC(F)(F)c1nn(c(c1)-c2ccc(cc2)Br)CC(OCC)=O	764
+FC(F)(F)c1scc(C(CN(C(C)Cc2ccc(cc2)OCC(OC)=O)CC(=O)OCC)O)n1	303
+FC(F)Oc1c(c(c(cc1)Br)OCC(=O)OCC)OC	52
+c1cccc(c1OCC(OCC)=O)Oc2c(Cl)cc(F)c(NC(=O)C)c2	52
+c1(F)cc(OCC(=O)OCC)c(cc1C)C(NCc2c(cc(cc2)Br)F)=O	52
+C(OC(CN1CCCCC1C)=O)C	303
+c1(cc(Cl)c(cc1)Br)NCC(OCC)=O	1230
+O(c1cc(cc(OC)c1)OCC(=O)OCC)C	52
+c1cc(C)cc(C=O)c1OCC(OCC)=O	52
+O=Cc1cc(c(OCCCC)c(Cl)c1)OCC(OCC)=O	52
+O=S(=O)(N(c1ccc(Cl)cc1C(c2c(cccc2)Cl)O)CC(OCC)=O)c3ccc(c(OC)c3)OC	4071
+O=S(=O)(NCCc1c(cc(cc1)-c2ccccc2S(=O)(=O)C)OCC(=O)OCC)c3cc(ccc3OC)C#N	52
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(ccc13)OCC(OCC)=O)C	52
+[N-]=[N+]=NC(OCCOCC(OCC)=O)COc1cccc(C(=O)O)c1	337
+[N-]=[N+]=NC1CCc2ccc(OC)cc2N(C1=O)CC(OCC)=O	933
+c1cnn(c1C(=O)c2c(Cl)c(Cl)c(c(CC=C)c2)OCC(=O)OCC)C	52
+C(OC(COc1c(Cl)cc(CO)c(c1)OC)=O)C	52
+C(OC(COc1cccc(I)c1)=O)C	52
+c1cc(c(c(F)c1OCC(OCC)=O)NCc2c(OC)c(cc(-c3cc(F)ccc3)c2)C)F	52
+c1cc(c(c(F)c1OCC(OCC)=O)NCc2c(c(cc(-c3cc(F)ccc3)c2)C)C)F	52
+c1(cc(cc(C)c1N=C2N(C)C(N(C)C(=C2)c3ccc(c(OC)c3)OCC(OCC)=O)=O)C)C	52
+c1c(C)c(c(cc1C(c2sccc2)=O)C)OCC(=O)OCC	52
+c1(C=O)cccc(OCC(OCC)=O)c1	52
+C(n1c(cc(n1)CC)CC)C(=O)OCC	764
+c1(ccc(cc1Cl)C(O)(CC(OCC)=O)CC)Cl	2040
+c12cc(sc1c(Cl)c(Cl)c(OCC(=O)OCC)c2)C(O)C	52
+C(c1n(CC(OCC)=O)c2cc(cc(C)c2n1)Br)CC	1457
+c12c(nn(c1C(C3CC23)OCOC)CC(OCC)=O)C(=O)N	764
+c1c2c(ccc1OCC(OCC)=O)ncn2C	52
+c12c(cc(Cl)c(Cl)c1)OCC(=O)N2CC(=O)OCC	933
+c1c(C)c(c(cc1)C)-c2cc(COc3ccc4c(ccn4CC(OCC)=O)c3)ccc2	256
+Cc1cc(cc(C)c1OCC(OCC)=O)Br	52
+c1cc(cc(C)c1OCC(OCC)=O)CO	52
+c1cc(ccc1OCC(OCC)=O)-c2cc(Cl)c(c(Cl)c2)CC3CCN(C3=O)C4CCCCC4	52
+c1cc(cc(c1)-c2ccc(F)c(c2)CNc3c(c(ccc3F)OCC(=O)OCC)C)F	52
+c1c(cc(Cl)c(c1)N2CCN(CC(OCC)=O)C2=O)Br	4072
+O(c1ccc(cc1OCC)Br)CC(=O)OCC	52
+C(OC(COc1cccc(c1)CCCO)=O)C	52
+CCOC(=O)CN1c2c(cccc2)CCCCC(N=[N+]=[N-])C1=O	933
+c12c(cccc1)CC3OCC(=O)N(CC(=O)OCC)C23	584
+C(OC(Cn1c2c(cccc2C#N)cc1)=O)C	256
+C(OC(CN(C)CCc1ccc(cc1[N+]([O-])=O)F)=O)C	303
+c1c(CC(OC)=O)cc([N+]([O-])=O)c(OCC(=O)OCC)c1	52
+c1cc(ccc1)-c2cnn(c2)CC(=O)OCC	764
+c1ccccc1C(c2cc(c(cc2OCC(=O)OCC)OC)Cl)O	52
+c1cc(ccc1)C(c2ccccc2)CC(N3CCN(CC3)CC(=O)OCC)=O	303
+c1cc(ccc1)CC(c2cc(C)c(cc2)OCC(=O)OCC)=O	52
+c1cc(ccc1)COC(C2Cc3c(CC2)n(c4c(Cl)cccc34)CC(=O)OCC)=O	256
+c1cc(ccc1)COC(=O)c2cccc(Oc3cc(C)c(cc3)OCC(OCC)=O)c2	52
+c1ccccc1SCC(OCC)=O	8280
+c1cc(ccc1OCC(OCC)=O)-c2c(C)nc(c(C#N)c2)O	52
+c1cc(ccc1-c2cc(on2)-c3nn(CC(OCC)=O)nn3)Oc4c(ccc(F)c4)Br	4479
+CC(C)CC(=O)C(CC(OCC)=O)NC(c1ccc(cc1)F)=O	8281
+c1cc(ccc1C(Nc2cc(OCC(OCC)=O)ccc2NC(=O)c3cc(C#N)ccc3)=O)C(C)C	52
+c1cc(ccc1-c2ccc(F)cc2F)C(C)(O)CC(=O)OCC	2040
+C1CCCCC12N(C(C(c3ccc(cc3)C)=N2)=O)CC(=O)OCC	584
+c1cc(ccc1C2CN(C(C2)=O)CC(OCC)=O)Cl	584
+c1cc(ccc1C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5)COCC(=O)OCC	337
+c1cc(ccc1OC)C=CCCCCOc2c(cc(cc2)C(=O)CCCC(OC)=O)OCC(OCC)=O	52
+c1cc(ccc1COc2c3nc(CC)n(c3ccc2)CC(OCC)=O)OC	1457
+c1cc(ccc1Cc2c(C)n(c3ccccc23)CC(OCC)=O)[N+]([O-])=O	256
+c1cc(ccc1Cl)C(=O)NC(CC(OCC)=O)C(=O)c2ccsc2	8282
+C1CC2(CCO1)N(C(C(c3ccc(cc3)Cl)=N2)=O)CC(=O)OCC	584
+c1cc(ccc1Cl)Sc2c(C)n(CC(OCC)=O)c3cccc([N+]([O-])=O)c23	256
+c1cc(ccc1F)C(C2CCN(CC2)CC(OCC)=O)=O	303
+c1cc(ccc1F)C2(c3ccc(cc3)F)CCN(CC(=O)OCC)C2=O	584
+c1cc(ccc1C2(c3ccc(cc3)F)CCCN(C2=O)CC(=O)OCC)F	584
+c1cc(ccc1OCc2ccc(cc2)F)OCC(OCC)=O	52
+c1cc(ccc1C(=O)CC)OCC(OCC)=O	52
+c1cc(ccc1OCC(OCC)=O)C(=O)CCCC	52
+c1cc(ccc1Cl)Oc2c(n(c3ccc(F)cc23)CC(OCC)=O)C	256
+O=S(=O)(c1ccc(cc1)N(CC(OCC)=O)C)O	2319
+N#Cc1ccccc1NCC(=O)OCC	1230
+c1ccc(OCC(=O)OCC)c(c1)C	52
+c1ccccc1-c2cc3n(c(nc3c(c2)C)CCC)CC(=O)OCC	1457
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COCC(=O)OCC)c4	337
+c1ccccc1C2(c3ccccc3)CCCN(CC(=O)OCC)C2=O	584
+c1ccccc1C2CCCN(CC(=O)OCC)C2=O	584
+c1ccccc1C2c3cc(c(c(c3C(=O)C2CC)Cl)Cl)OCC(OCC)=O	52
+c1cc(ccc1OCC(OCC)=O)NC(OCc2ccccc2)=O	52
+c1ccccc1COc2c(OC)cc(C=O)c(OCC(=O)OCC)c2	52
+c1(cc(cc(F)c1OCc2ccccc2)COCC(OCC)=O)F	337
+c1ccccc1COc2cccc3c2nc(C)cc3OCC(OCC)=O	52
+c1ccccc1COc2ccc3c(ccn3CC(=O)OCC)c2	256
+c1ccccc1N(C(=O)C2CCc3n(c4ccc(cc4c3C2)C#N)CC(OCC)=O)C	256
+c1cc(ccn1)C(C(c2ccc3ccccc3c2)=O)CC(=O)OCC	8283
+n1cc(cnc1N2CCC(CC2)O)-c3nn(nn3)CC(OCC)=O	4479
+c1c(n(CC(=O)OCC)nc1Cl)Cl	764
+C(OC(CN1C(=O)C=C(C=C1)n2cc(nc2C)C#Cc3cccc(C)c3)=O)C	8284
+c1(Cl)cc(cc(Cl)c1)N2C(=S)NC(=O)C=C2N	4480
+FC(F)(F)c1cccc(N2C(N)=C(C(OCC)=O)C(C(C(=O)OCC)=C2C)c3cc4c(ccc(C#N)c4)o3)c1	8285
+FC(F)Oc1c(Cl)c(-c2c(Cl)cc(Cl)c(c2)C=C(C#N)C(OCC)=O)nn1C	2948
+c1([N+]([O-])=O)cccc(-c2c(C#N)c(O)nc(SC)n2)c1	8286
+C1(=S)NC(=O)C=C(N)N1CCCCC	2949
+S=C1N(C(N)=CC(N1)=O)c2cc(CC)ccc2	4480
+O(C)c1cc(cc(OC)c1)C=C(C(OCC)=O)C#N	2948
+c1([nH]c2c(cccc2)n1)CN3C(N)=CC(=O)NC3=S	2949
+c1ccccc1COCC(Cc2nc(O)c(C#N)c(-c3ccc(c(Cl)c3)Cl)n2)C	4304
+c12ccccc1cc(cn2)N3C(NC(=O)C=C3N)=S	8287
+c1ccccc1C(CC(C(OCC)=O)C#N)=O	8288
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(C#N)C(OCC)=O	8289
+N1(C(C)c2[nH]c3ccccc3n2)C(=S)NC(C=C1N)=O	2949
+c1ccccc1C=C(C#N)C(=O)OCC	2948
+c1cc(cc(F)c1F)C=2n3nc(C)cc3NC(=O)C=2	2950
+C(=O)(C)c1cc2CCC(C)(Oc2c(CCC)c1OCCCOc3ccc(C(=O)C)c(O)c3CCC)CCC(O)=O	3
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCC(OCC)=O)OC)OC	1028
+n1(c(nc2cnc3ccccc3c12)CCC)CCCCCCCCCCCC(NC)=O	271
+O=S(=O)(C)CCOCCOCCOCCOCCOCCOCCCCCC(OCC)=O	1887
+c1(Cl)cncc(Cl)c1Sc2c([N+](=O)[O-])cc(C(=O)NCC(OCC)=O)s2	2765
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(OCC(=O)NCC(=O)OCC)cc3)C	188
+O=S(=O)(NCCc1c(OCC(=O)NCC(OCC)=O)cc(C(C)C)cc1)c2c(OC)ccc(C#N)c2	188
+Fc1cc(c([N+](=O)[O-])cc1F)NCC(=O)OCC	945
+C(OC(CNc1c([N+]([O-])=O)cccc1F)=O)C	945
+C(OC(=O)CNCc1c(N)c(C)cc(-n2ncnc2)c1)C	1528
+c1cc(ccc1)Nc2ccc(cc2)C(=O)NCC(OCC)=O	259
+O=S(=O)(Nc1ccccc1Oc2ccc(Cl)cc2Cl)c3ccc(cc3)C(=O)NCC(OCC)=O	259
+c1cc(ccc1Oc2c(cc(c([N+](=O)[O-])c2)NCC(OCC)=O)F)C(=O)OCC	945
+c1ccccc1Nc2cnc(C(=O)NCC(=O)OCC)cc2	1008
+C(OC(CNc1ncnc(Cl)c1[N+]([O-])=O)=O)C	2581
+CCOC(=O)CN1c2c(cccc2)CCCCC(N)C1=O	1584
+O=C(CNC(=O)c1ccccc1O)O	3
+c1cc(ccc1-c2cc(N)n(n2)CC(=O)OCC)F	8290
+Ic1cc2NC(CNc2nc1)=O	8291
+c1(cc(SCC(OCC)=O)nc(N)n1)C	8292
+c1cc(ccc1C)S(=O)(=O)N2Cc3c(CC2)sc(C(OCC)=O)c3	3609
+c1ccccc1OCC2CCC(CC2)N(C(Nc3sc(cn3)SCC(OCC)=O)=O)C4CCCCC4	8293
+c1nc(c2CCc3c(cc(c(OC)c3)[N+]([O-])=O)-n12)C(=O)OCC	2515
+c1cc(ccc1Cl)-c2c([nH]cc2C)C(=O)OCC	8294
+FC(F)(c1cc(-n2cnc(CO)c2)ccc1F)C	8295
+CN(C)CCN(c1ccccc1[N+]([O-])=O)C(OCC)=O	1199
+C(OC(Nc1nc2c(ccc(C)c2)nc1OC)=O)C	2205
+C[Si](C)(C)CCOCn1c(ccc1)C(=O)c2ccc(cc2)NC(OCC)=O	90
+C(C)OC(=O)c1c(Cl)ccc(N)c1F	1826
+FC(F)(F)C(=O)N1CC(CCC1)c2c(cccc2)NC(=O)OCC	90
+FC(F)(F)C(CC1CCc2cc(ccc2O1)NC(OCC)=O)OCc3ccccc3	90
+FC(F)(F)c1cc2c(N(C(CC)CN2C(C#N)c3cc(Cl)c(cc3)Cl)C(=O)OCC)cc1	1199
+FC(F)(F)c1cccc(c1)N2C(=O)N(C(OCC)=O)C(c3n(-c4ccc(cc4)C#N)ncc3)=C2C	8296
+O=C1NC(=O)ON1c2cc(F)c(cc2)F	8297
+N#Cc1ccc2cc(cc(-c3c4ccccc4ccc3)c2n1)NC(=O)OCC	90
+c1(nc(NC(OCC)=O)sc1)C(C(=O)OCC)=NOC	810
+C1CN(C(=O)OCC)CC(c2cc(ccc2)OC)=C1	8298
+C(C)OC(N1Cc2c([nH]c3c2cccc3[N+]([O-])=O)CC1)=O	66
+c1(c(c2c(cc1)N=C(OC2=O)OCC)CC)[N+]([O-])=O	8299
+C(OC(=O)Nc1c(F)ccc([N+]([O-])=O)c1)C	90
+c1c(C(=O)O)c(OC(=O)OCC)ccc1	644
+c1(C)cccc(C)c1CNc2cccn3c(C)c(COC(=O)OCC)nc23	405
+CCOC(=O)Nc1cccnc1	950
+C(c1c(c(OC)ccc1OC)F)(OCC)=O	1826
+C(OC(=O)Nc1c(C#N)c(c(cc1)Br)F)C	90
+C1Cc2ccccc2C(c3c1cccc3)=CC4CN(CCO4)C(=O)OCC	66
+c12c(cccc1)n(c(N3CCN(C(OCC)=O)CCC3)n2)CCOCC	1142
+c1(cc(cc(C)c1NC(=O)OCC)Br)C	90
+c1c(c(NC(OCC)=O)ccc1C)[N+]([O-])=O	90
+Fc1c(NC(=O)OCC)cc(c(Br)c1)OCC	90
+C(OC(=O)Nc1cccc(CCNC(C)=O)c1)C	90
+C(OC(=O)Nc1cccc(CO)c1)C	90
+N(c1ccc(C)c(c1)C(=O)c2ccc(Nc3c(F)cc(F)cc3)cc2Cl)C(=O)OCC	90
+C(OC(Nc1nc2ccc(cc2nc1OC)F)=O)C	2205
+C(C)OC(=O)N1NC(c2c1ccc([N+]([O-])=O)c2)=O	3268
+c1cc(ccc1)C(C(c2c3c(ccc2)cccc3)O)CNC(OCC)=O	101
+c1ccccc1CC(C(=O)O)NC(OCC)=O	544
+C1(CN(CCC1=O)C(OCC)=O)C	1600
+C1CN(C(=O)OCC)CC(c2cc(ccc2)OC)=C1	8300
+c1cc(ccc1)CN2CC(N(CC2)C(=O)OCC)C	66
+c1cc(ccc1)CNC(=O)C(CO)NC(=O)OCC	1403
+C1CC(CCN1C(OCC)=O)(c2ccc(cc2)Br)c3ccc(cc3)Cl	66
+c1cc(ccc1Br)N2CCC(CC2)NC(=O)OCC	101
+c1cc(ccc1C2=NOC(N2)=O)C=3C=CC(=O)N(Cc4cc(NC(=O)OCC)ccc4)N=3	4481
+c1cc(ccc1Cl)NS(=O)(=O)c2ccc(OC)c3c2OCC(NC(OCC)=O)C3	101
+c1cc(ccc1F)-c2nc3n(nc(c(C)c3C)Cl)c2C4C=NN(C=C4)C(=O)OCC	8301
+c1cc(ccc1F)CNc2ccc(NC(OCC)=O)c(N)c2F	8302
+c1cc(ccc1OCC(C)NC(OCC)=O)OCC=C(C)C	101
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)C3=NOC(N3)=O)OCC=C(Cl)Cl)Cl	4481
+c1cc(ccc1)C(=O)Oc2c(-c3c(c(C)ccc3OC(=O)OCC)C)c(c(cc2)C)C	644
+c1ccccc1C(=O)c2cc([N+]([O-])=O)c(CC(OCC)=O)cc2	8303
+c1ccccc1COC(=O)NC2CC(CC)N(C(=O)OCC)c3c2nc(cc3)OC	8304
+c1ccccc1COC(Nc2c(cc(cc2)NC(=O)OCC)O)=O	90
+c1ccccc1COc2cc3onc(NC(OCC)=O)c3cc2	278
+N(C(OCC)=O)CCc1ncc2ccccc2c1	101
+c1cc(ccc1C(CCCCN2CCN(C(=O)OCC)C(C)C2)c3cnccc3)F	53
+n1n2c(c(Br)ccc2)nc1NC(OCC)=O	977
+n1n2c(c(O)ccc2)nc1NC(OCC)=O	977
+n1n2c(cc(Cl)cc2)nc1NC(OCC)=O	977
+c1cc(ccc1C#N)-c2nnc(NNC(OCC)=O)cc2C	8305
+c1cc(ccc1C(=NNC(=O)OCC)CO)Cl	8306
+CCOC(=O)NC1CCCNC1	8307
+C(c1c(c2ccccc2[nH]1)C(O)=O)(=O)OCC	2038
+c1c2c(NC=3CCCC(=O)C=3C2c4oc(Sc5[nH]c6c(n5)cc(Cl)c(c6)Cl)cc4)c(C(OCC)=O)[nH]1	2503
+Clc1c(n[nH]c1C(=O)O)C	6
+N#Cc1c(C(=O)O)[nH]c(C)c1Cl	6
+c1(C)cccc(C)c1CNc2c3nc(c(n3ccc2)C)C(=O)OCC	2951
+NNC(=O)c1c(C)nc(-c2cccnc2)[nH]1	2100
+c1cc(ccc1F)CCn2nc(cc2)-c3nc(c(C(=O)OCC)s3)C	338
+C#Cc1sc(c(C)n1)C(OCC)=O	4482
+CCOC(=O)c1c(C)nc(-c2n[nH]cc2)s1	3470
+Nc1sc(c(C)n1)C(=O)O	6
+c1cc(ccc1F)-c2nc3n(c(C)c(s3)C(OCC)=O)c2	2952
+c1cc(ccc1F)CN2C(N(c3nc(c(C(OCC)=O)s3)C)CC2C)=O	1083
+c1c2c(CCN3CCN(c4sc(C(=O)OCC)c(n4)C)C3=O)c[nH]c2ccc1	1794
+c1cc(ccc1F)CN2C(=O)N(CC2)c3sc(c(C)n3)C(OCC)=O	1083
+c1ccccc1CN2C(=O)N(CC2)c3sc(c(C)n3)C(OCC)=O	1083
+Cc1nc(N2C3C(N(CC3)C(=O)c4nc(Cl)c(CC)[nH]4)C2)sc1C(=O)OCC	2090
+c1ccccc1CCCc2cn(-c3nc(c(C(OCC)=O)s3)C)nn2	8308
+Fc1cccc(F)c1COc2cc(cn3c(C(OCC)=O)c(C)nc23)F	2953
+OCc1c(noc1C)-c2c(cccc2)F	903
+FC(F)(F)c1ccc(N2CCN(CC2C)Cc3c(n[nH]c3)C(=O)OCC)nc1	678
+n1n(cc(c1C(OCC)=O)C=O)-c2c(F)cccn2	2488
+FC(F)(F)CNc1c(C(=O)OCC)nc(nc1)Cl	8309
+c12cc([nH]c1c(ncn2)O)-c3occc3	8310
+O=C(c1c(N=[N+]=[N-])c2c(cccc2)nc1)O	6
+C[Si](C)(C)CCOCn1cc(c(-c2nc3CCCCc3s2)n1)C(=O)OCC	1428
+c1(Cl)nc2CCCCc2c(Cl)c1C=O	1639
+C1Cc2c(nc(C)s2)-c3c(sc(C(=O)OCC)c13)SC	8311
+CCOC(=O)c1ncn2-c3ccccc3C(N(C)Cc12)=O	497
+Clc1cc(ccc1)NC(=O)N2Cc3c(n[nH]c3CC2)C(=O)OCC	326
+O(CCc1n2c(c(C(=O)O)c1)c(Cl)ccc2)CC	6
+c12c(C3C(C3)C1OCOC)c([nH]n2)C(=O)N	314
+c1ccccc1COC(=O)c2c(C)n[nH]c2-c3nc4cc(ccc4[nH]3)C(OCC)=O	567
+C1CC12C(CN(c3c(F)cc(C(OCC)=O)c(F)c3OC)C2)NC(c4ccccc4)C	34
+c1c(OCC)c(Cl)ccc1CO	217
+C(C)OC(=O)c1cccc(-c2csc(n2)-c3cnccc3C)c1	8312
+Clc1ccc2oc(-c3cc(ccc3)C(=O)OCC)cc2c1	1936
+FC(F)(F)C(=O)c1cc(C(=O)OCC)n(c1)CC=C	531
+c1cc(ccc1Cl)C(c2n(CC=C)c(Br)nc2C(=O)OCC)O	8313
+c1ccccc1CN2Cc3nc(C(OCC)=O)cn3CC2	48
+Brc1ccn2c(c1)nc(CO)c2	874
+c1cc(ccc1Cl)CNC(=O)c2c(c3c(c(F)c(F)c(F)c3)nc2)O	1556
+CCOC(=O)c1csc(-c2n(C)ncc2Cl)n1	697
+Clc1c(-c2nc(C(=O)O)cs2)n(C)nc1	6
+Brc1nc(C(=O)O)cs1	6
+c1cc(ccc1-c2cc(F)c(cc2OC)F)OCc3nc(C(OCC)=O)cs3	8314
+CCOC(=O)c1n(c(cc1Nc2ccccc2[N+]([O-])=O)C)C	4483
+c1cc(N)c(cc1)Nc2c(n(c(c2)C)C)C(=O)OCC	0
+c1cc(ccc1)Cn2nc(C(OCC)=O)c3cccnc23	1485
+c1cc(ccc1-n2ccc(C(OCC)=O)n2)F	568
+c1ccccc1Oc2ccccc2Cn3ccc(C(=O)OCC)n3	309
+c1c(F)c(c(cc1)F)C(=O)Nc2c(C(=O)OCC)n[nH]c2	1404
+CCOC(=O)c1n[nH]cc1N	209
+[nH]1nc(C(=O)OC)c([N+](=O)[O-])c1	3870
+CCOC(c1cc(c(cn1)N)N)=O	13
+c1(Cl)ccnc(CO)c1	194
+c1cc(ccc1Cl)NC(c2c(N)n(cn2)C)=O	4484
+c1cccc2c1-n3cnc(C(OC)=O)c3CN(C)C2=O	8315
+c12C3CC(CC3)c1c(nn2C)CO	194
+c12-c3ccccc3NC(=S)n1nc(CO)c2	194
+C1(C(Nc2c(N1)c(Cl)c(Cl)c(Cl)c2Cl)=O)=O	2954
+O=C(C(Cc1ccc(Cl)cc1[N+]([O-])=O)=O)OCC	2161
+O=C(OCC)C(CC(c1cccc(Cl)c1)=O)=O	633
+FC(F)(F)c1ccc2c(NC(=O)C(=O)N2C3CCCCC3)c1	2548
+FC(F)(F)c1c(c(c(cc1)OCc2ccccc2)[N+](=O)[O-])CC(=O)C(OCC)=O	2161
+C1(C(=O)Nc2c(Br)cc(cc2N1)Br)=O	2954
+c1cc(ccc1)C2=C(C(N(CCCC)S2(=O)=O)=O)O	8316
+c1(c2nc(cc(NCC)c2cc3c1OC(=CC3=O)C(OCC)=O)C(OCC)=O)CCC	2955
+C1(C(=O)Nc2c(c(c(F)c(F)c2F)F)N1)=O	2954
+Clc1cccc(Cl)c1C(=O)C(OCC)=O	8317
+O=C(OCC)C(=O)Nc1c2C(CC(c2c(C)cc1)CCC)=O	8318
+O(c1cc(cc(OC)c1)C(C(=O)OCC)=O)C	2956
+O=C(C(c1ccc(cc1C)F)=O)OCC	2956
+c1cc(ccc1)C=2C(=O)N(C(=O)C=2O)c3ccccc3Cl	8319
+c1cc(ccc1)COC(=O)N2CCC(CC2)CCCCC(=O)C(OCC)=O	8320
+c1ccccc1OCC(=O)CC(=O)C(=O)OCC	1135
+c1ccccc1Oc2c(NS(=O)(=O)C)cc3c(C(C=C(O3)C(=O)OCC)=O)c2	2955
+c1cc(ccc1Br)C(CC(C(OCC)=O)=O)=O	633
+c1cc(ccc1N(C)C)C(CC(C(OCC)=O)=O)=O	633
+c1cc(ccc1OC)C(=O)CC(C(OCC)=O)=O	633
+C1CCCCN1c2ccc(cc2)C(=O)CC(C(OCC)=O)=O	633
+c1cc(ccc1CN2C(C(Nc3c2cc(F)c(C(OC)=O)c3)=O)=O)OC	2548
+c1cc(ccc1F)C(=O)CC(C(OCC)=O)=O	633
+c1cc(ccc1Cl)-n2c(nc3c2nccc3)C(=O)OCC	8321
+c1cc(ccc1CCC(=O)CC(C(OCC)=O)=O)OC	1135
+c1cc(ccc1OCC(O)=O)C(=O)CC(C(OCC)=O)=O	633
+c1cc(ccc1C=Cc2c3OC(C(=O)OCC)=CC(=O)c3ccc2)OCCCCc4ccc(cc4)F	2955
+c1ccccc1COc2cc(c(C(CC(=O)C(=O)OCC)=O)c(c2)Oc3ccc(cc3)[N+]([O-])=O)OCc4ccccc4	633
+c1cc(ccc1OC)Oc2cc(c(cc2Cl)F)C(C(=O)OCC)=O	2956
+c1cnccc1C(=O)CC(C(OCC)=O)=O	633
+c1cc(ccc1)COc2cc(cc([N+](=O)[O-])c2CC(C(OCC)=O)=O)C	2161
+CC(C)c1c(OCc2ccccc2)cc(c(C(CC(=O)C(=O)OCC)=O)c1)OCc3ccccc3	633
+O=C(OCC)C(CC(c1ccc(cn1)C)=O)=O	633
+c1ccccc1Oc2ncc(cn2)C(CC(=O)C(OCC)=O)=O	633
+O(CC)C(=O)C(F)CCn1c2nc(nc(Cl)c2nc1)N	637
+C(=O)(C(C#N)(c1c(OC)c(Oc2c(F)cccc2)ccc1)C)OCC	3534
+C12(C(O)=O)c3c(OCC1CCCC2)cccc3	3
+C=1(C(C(=O)O)=C2N(CCC2)C(C=1Cl)=O)Cl	108
+C1C=C(CCN1C)CO	2947
+N1(C=C(C(=O)O)C(Cl)=CC1=O)C	108
+CCOC(C1=CN(C)c2c(C1=O)sc(CO)c2C)=O	1364
+c1cc(ccc1Cl)CNC(C=2C(c3sc(CO)c(c3N(C)C=2)C)=O)=O	1267
+Nc1cc(F)c(C)c2N(C=C(C(c12)=O)C(=O)O)C3CC3F	108
+CCOC(C1=CN(C2CC2F)c3c(C1=O)c(N)cc(F)c3C)=O	0
+c1cc(ccc1)COc2c(cn(C)n2)C(=O)OCC	8322
+O=S(=O)(OCC1CC1C(OCC)=O)C	7
+n1c(nn(-c2cc(nc(SC)n2)C3C(c4nc5c(cccc5)n4C)C3)c1C)C	8323
+c1(cc(I)ccc1)-c2nnn(n2)CCCN3CCCC(C(OCC)=O)C3	123
+O=S(=O)(C)Nc1c(cccc1)C(N2CC(CCC2)C(=O)OCC)=O	30
+C1(CN(C(=O)Cc2cccs2)CCC1)C(OCC)=O	58
+C1(CN(c2nc(c(cc2)[N+]([O-])=O)N)CCC1)C(OCC)=O	43
+c1cc(ccc1OCC(=O)N2CCCC(C(OCC)=O)C2)-c3ccc(cc3)C#N	10
+c1cc(ccc1C#N)C(CN2CC(CCC2)C(OCC)=O)O	170
+c1cc(ccc1OC)CN2CC(C(OCC)=O)CCC2	171
+C(OCC)(=O)C1CCCN(CCC2COc3c(cccc3)O2)C1	236
+c1cc(ccc1)N2C(CC(CC2)C(OCC)=O)=O	883
+FC(F)(F)c1cccc(c1C(n2c3c(c(N4CC(C(C(OCC)=O)CC4)O)n2)c(ccc3)F)=O)Cl	8324
+n1c(NC(C2=C(O)C=C(C)N(C2=O)C)=O)sc(C)c1	8325
+O(C(=O)CCCN1c2ccccc2C(NC1=O)=O)CC	783
+C(Cc1n2ccc(cc2cc1C)C#N)(OCC)=O	8326
+FC(F)(F)C(C)(C)c1c(F)cc(cc1F)C2CC2C(=O)OCC	4485
+O(C)c1ncc2c(CC3C2C3C(OCC)=O)c1	8327
+c1cc(ccc1S(=O)(=O)NCCc2ccc(CC(OCC)=O)n2C)F	8328
+CCOC(C1CC1c2nc(SC)nc(c2)-n3c(C)nc(n3)C)=O	8329
+c1(F)c(ccc(c1)Br)C2C(C2)C(OCC)=O	4485
+c1cc(ccc1CC=2C(N(c3n(ncn3)C=2CCC)C4CC(C4)OCC(OCC)=O)=O)-c5ccccc5C#N	3688
+C(OC(C1C(c2sc(cc2)CCCC)C1)=O)C	4264
+C(C1CCc2cc(OCCCOc3ccc(-c4nc(co4)CC)cc3OC)ccc12)C(=O)O	3
+C(c1ccc(c(c1)OC)OCCCOc2cc3CCC(CC(=O)OCC)c3cc2)(=S)N	1855
+C(OC(CC1c2c(cc(cc2)OCCO)CC1)=O)C	665
+c1ccccc1COc2ccc3n(ccc3c2)CCC(=O)OCC	8330
+CCOC(CCC1CCc2cc3cccnc3nc2C1)=O	8331
+c12c(CC(CC1)CCC(OCC)=O)nc3c(CCCN3)c2	2826
+ClC1(Cl)C(=O)CC1CCC(=O)OCC	2747
+CN(C)CCCC1c2c(cc(OCCCC(=O)OCC)cc2)CCc3ccccc13	8
+C[Si](C)(C)CCOC(c1cccc(S(=O)(=O)N(CCCC(OCC)=O)C2CC2)c1)=O	831
+O(C(CCCSc1nc2ccccc2[nH]1)=O)CC	2465
+O(C(CCCOc1c([N+]([O-])=O)cccc1)=O)CC	8
+c12cc(OCCCC(OCC)=O)c(cc1CCC2=O)CCCCCC	8
+n1(ncc2cc(c(C)cc12)Br)CCCC(OCC)=O	1090
+c1cc(OCCCC(OCC)=O)c(cc1Br)OC	8
+O(C(CCCNCCC1Cc2c(cccc2)OC1)=O)CC	132
+c1cc(ccc1-c2ccc(cc2)C#N)OCCCC(OCC)=O	8
+c1cc(ccc1OCCCC(=O)OCC)C=O	8
+c1cc(ccc1Cl)Cc2c(n(CCCC(OCC)=O)c3ccccc23)Br	339
+c1ccccc1-c2ccc(cc2)OCCCC(=O)OCC	8
+c1ccc(cc1[N+]([O-])=O)C(c2c3ccccc3n(CCCC(OCC)=O)c2)=O	339
+c1cc(ccc1Oc2c(-c3ccccc3)c(C)cc4cc(ccc24)OC)OCCCC(=O)OCC	8
+c1ccccc1CN(Cc2ccccc2)CCCC(OCC)=O	28
+c1ccccc1Cn2c3c(cc(OCCCC(=O)OCC)cc3)c(CC(=O)N)c2	8
+Clc1cc(c(Nc2c3c(cc(OCCCC(OCC)=O)c(OC)c3)ncn2)cc1)F	72
+C(OC(CCCn1cnnn1)=O)C	4486
+O=S(=O)(NCCCC(OCC)=O)C	111
+O=S(=O)(N(c1cccc2c1[nH]c(c2)-c3sc(cn3)CNCCCC(OCC)=O)C)c4cccs4	4461
+C(OC(CCCNCc1ccc2c(c1)occ2)=O)C	42
+c1cc(ccc1Oc2ccnc3c2sc(c3)C(=O)NCCCC(=O)OCC)NC(Nc4cc(ccc4F)C)=O	227
+c1ccccc1C=2C(=O)N(CC3CCCCC3)c4c(c(O)c(C(NCCCC(=O)OCC)=O)nc4)C=2	658
+n1(C2CCCCO2)nc(C(NCCCC(OCC)=O)=O)c(c1)NC(=O)c3ccccn3	81
+FC(F)(F)C(=O)N1CCc2c(cccc2CCCC(=O)OCC)C1	4324
+C(CNC(Nc1cccc(C(=O)O)c1)=O)C(OCC)=O	675
+CC(C)(C)c1ccc(cc1)NCCC(=O)OCC	1627
+O=S(=O)(c1cc(OC)ccc1)NCCC(=O)OCC	71
+O(C)c1nc(nc(OC)c1[N+]([O-])=O)NCCC(=O)OCC	96
+c1cc(ccc1)OCC(Nc2ccc(cc2)C(=O)NCCC(OCC)=O)c3oc4c(cccc4)c3C	14
+c1cc(ccc1C(=O)NCCC(=O)OCC)N2CCC(CC2)=O	14
+C(OCC)(CCNc1c2ccccc2ncc1[N+]([O-])=O)=O	105
+c1cc(ccc1C(=O)N(CCC(OCC)=O)C)NC(c2oc3c(cc(cc3)OC)c2C)CCCCOC	30
+c1cc(ccc1O)CSCCC(=O)OCC	639
+O=S(=O)(c1nccn1CC(=O)OCC)C	8332
+c1(cc2c(cccc2Br)o1)C(=O)OCC	8333
+c1cc(ccc1Cl)OCC(OCC)=O	1845
+N1c2c(CC1=O)ccnc2	8334
+CCOC(Cc1ccncc1N)=O	13
+c12N(C(Sc1cc(cc2)N3C=C(C(NC3=O)=O)C#N)=O)C	2957
+C(#N)C1=CN(C(NC1=O)=O)c2cc3c(N(C(=O)N3C)C)cc2	2957
+c1cc(ccc1N2CCOC2=O)N3C(NC(C(C#N)=C3)=O)=O	2957
+c12c(Cl)nc3c(n1c(CC)nn2)cccc3	2958
+C(C)c1n2c(nn1)c(nc3c2ccc(c3)OC)OC	2958
+c1cc(ccc1COc2cccc3[nH]c(CC)nc23)OC	8335
+c1cnccc1-c2cc3c([nH]c(CC)n3)nc2-c4cc(F)ccc4	8336
+c1ccccc1COc2cc3c(cc2)ncc4nc(CC)n(c34)C	1700
+FC(F)(F)c1c(OCC)ccc(-c2cc3c([nH]c(CCl)n3)c(n2)C#N)c1	8337
+c1cc(ccc1-c2cc(ccc2C)C(=O)NC3CC3)-c4oc(nn4)CCl	2959
+C1CCCC1n2c(cc3cnc(Cl)nc23)C(OCC)OCC	4442
+c12-c3c(cccc3)C(c1cccc2)COC(=O)NC(C)C(=O)N(Cc4c5ncccc5ccc4)C(C(OCC)OCC)C	10
+C1CC(CCC1)CCn2cc(c3cc(C)ccc23)CCNC	8338
+C(C)OC(OCC)Cn1c(cc(-c2cnccc2)n1)N	8339
+CCOC(CC1CCc2cc(OCCOCC)ccc12)=O	8340
+Cc1ccc2occc2c1	4487
+c1ccccc1Oc2ccc(cc2)OCC=O	598
+c1([N+]([O-])=O)ccc(-n2nnnc2)nc1	8341
+Cc1nc(-n2nnnc2)ccc1C(C)C(OCC)=O	8342
+c1c(C)cc(cc1-n2c3cccc(C#N)c3nc2)C	4488
+FC(F)(F)C(Nc1ccc2c(c1CC)nco2)=O	4489
+FC(F)(F)C(=O)Nc1ccc2c(nco2)c1C	4489
+FC(F)(F)Cc1sc2c(c(O)ncn2)c1	8343
+FC(F)(F)c1c2ccc3n(cc(-c4ocnn4)n3)c2nc(O)c1	8344
+FC(F)(F)c1cnc2c(O)ncnc2c1	4490
+FC(F)(F)c1cc(N(C2CCCC(n3cnnn3)C2)CC)ccc1C#N	4486
+FC(F)(F)c1cccc(c1)-c2nc(c3[nH]cnc3c2)C#N	4491
+OC(Cn1cnc(c1N)C(=O)N)C	8345
+c1(-c2ncon2)cc(c(C)cc1)F	4492
+c1(-c2ncon2)cc3nc(-c4c(Cl)ccc([N+]([O-])=O)c4)[nH]c3cc1	4492
+c1nc2c(n1C)cc(Cl)nc2C#N	919
+c12c(n(cn1)C)cc(Br)nc2	919
+c1c2c(ncc1)nco2	8346
+c1cc2c(c(ncn2)O)nc1Cl	4490
+c12cc(Cl)nc(Cl)c1c(ncn2)O	8347
+CC1(C)OC(=O)C(C(=O)O1)=CNc2cc(ccc2Br)OC	8348
+n1nncn1-c2ccc3c(CCCC3C(OC)=O)c2	797
+c1c(OC)ccc(c1Br)-n2nnnc2	797
+N1=CN(C(c2nc(Br)cnc12)=O)C	8349
+O(c1c(CC)cc(c(C)n1)-c2ncon2)C	8350
+CC1(C)OC(=O)C(C(O1)=O)=CNc2cccc(OC)c2	2960
+c1cc(ccc1NC=C2C(OC(OC2=O)(C)C)=O)C(c3nccs3)c4ccc(cc4)Cl	2960
+CC1(C)OC(=O)C(C(O1)=O)=CNc2cccc(c2)OCc3ccccc3	2960
+O=S(=O)(C)c1cc(Cl)c(C(C(=COCC)C(=O)CC)=O)cc1	4493
+C1CC1C(=O)C(=COCC)C(=O)c2c(cc(Cl)cc2)S(=O)(=O)C	4493
+N1(c2cc(C(=O)OC)cc(c2)-n3nnnc3)C(C=C(C=C1)C)=O	797
+c1(c(ccc(c1)-n2nnnc2)OC)C(=O)C	797
+c1cc(ccc1C)-c2cc(-n3nnnc3)cc(C(=O)OC)c2	797
+c1cc(ccc1CCCC)-c2c(c3c(cc2)c4Cc5c(ccc(-n6nnnc6)c5)-c4[nH]3)F	797
+c12c(C(=O)N(C1=O)CCCCOc3ccc(cc3)-n4cnnn4)cccc2	797
+n1c2c(Cl)nc(Br)cn2cn1	4189
+c1(F)c(F)c(c(c(F)c1C(C(C(=O)OCC)=CNc2c(cccc2)O)=O)F)N3CCC(NC(=O)C)C3	8351
+c1c(F)c(cc(OC)c1OCc2ccc(nc2)OC)Cn3cnc4cc(I)ccc34	2854
+c1(c(OCc2ccc(nc2)OC)ccc(c1)Cn3cnc4cc(I)ccc34)OC	2854
+c1nc2c(c(Cl)nc(Br)c2)n1C	8352
+Cc1cc(Nc2nc3n(Cc4ncc(cc4F)F)cnc3cc2F)n[nH]1	8353
+C(C)OC(c1cnc(Cl)c2c1n(cn2)C)=O	919
+c12c(nc[nH]1)c(C#N)nc(Cl)c2	4491
+c1(c(c(ccc1C)Cl)Nc2ccccc2-c3nnco3)Cl	2961
+c1(c(NC(=O)C(=CNc2cc(I)c(OCCOC)cc2)C#N)cc(c(Cl)c1)OC)Cl	8354
+n1(Cc2c(F)cccc2)cnc3cnc(Cl)nc13	8355
+c12n(c(CCC)nc1c(C)cc(-c3nnco3)c2)Cc4ccc5c(CCc6c(C5=CC#N)cccc6)c4	2961
+c1(c(OCc2ccc(nc2)OC)ccc(Cn3c4c(cc(cn4)I)nc3)c1)OC	4494
+O(c1c(cc(cc1)Cn2c3c(cc(cn3)I)nc2)OCC)Cc4ccc(nc4)OC	4494
+n1c(Cl)c2ncn(-c3c(Cl)cccc3)c2nc1	4127
+c1n(c2c(ccc(c2)Br)n1)-c3ccc(c(F)c3)C(=O)OCC	4488
+CCOC(=O)C(C(c1c(cc(I)cc1)Cl)=O)=COCC	3335
+c12nncn1cccc2-c3ncccc3	2570
+n1c2cc(ccc2n3cnnc3c1OC)OC	8356
+c1cc(ccc1-c2ocnn2)-c3c(n(C)c(-c4ccccn4)n3)I	2961
+c1cc(ccc1-n2c3c(nc2)cccn3)C(C(OCC)=O)=O	3493
+c1cc(ccc1OC)Cn2cnc3cnc(cc23)Br	919
+c1cc(ccc1)CN2CCC3(CC2)N(C=NC3=O)c4ccc(cc4)F	3702
+c1cc(ccc1CC#N)-n2cnc3cnc4ccc(Br)cc4c23	8357
+c1cc(ccc1O)Cn2cnc3ncc(nc23)-c4sccc4	8358
+c1cc(ccc1[N+](=O)[O-])-c2ncon2	8359
+c1ccccc1COC(NCCCn2c3c4ccccc4nc(Cl)c3nc2)=O	919
+n12c(nnc1)c3cc(C)ccc3nc2CCl	8360
+c1(ccn2cnnc2c1)-c3ncccc3	2570
+O(CC)C(OCC)P(OCC)(CC(c1ccc(cc1)OC)C[N+]([O-])=O)=O	8361
+O=Cc1cc2cnc(cc2[nH]1)Br	1921
+C(OC(OCC)c1ccc(cc1)CNC)C	42
+CCOC(OCC)c1cc2c(o1)c(-c3cccc(C=O)c3)cnc2	4495
+c1ccccc1COc2cccc(c2)-c3cncc4cc(C(OCC)OCC)oc34	4495
+c1cc2c(cc1)cc(CO)[nH]2	194
+CCOC(c1n(C)c2c(cccc2)c1)=O	144
+CCOC(=O)c1[nH]c2c(cccc2)c1C=O	287
+c1cc2[nH]c(cc2cc1)C(NC)=O	780
+c1(c(C=O)[nH]c(c1)C(OCC)=O)C	413
+CCOC(c1[nH]cc(CCN)c1)=O	51
+O(C(c1n[nH]c(c1)NC(=O)c2cc(F)c(cc2Cl)F)=O)CC	330
+O(C(c1n[nH]c(c1)NC(=O)c2cc(F)c(cc2C)F)=O)CC	330
+CCOC(c1[nH]nc(N)c1)=O	161
+c1cc(ccc1F)-c2n(C)cc(C(OCC)=O)c2C	1072
+c1(cn2c(c1C)c(c(C#N)cn2)Cl)C(=O)OCC	8362
+c1(c(C)n(C)cc1)C(=O)O	6
+Clc1ncc(c(C)n1)C(=O)O	6
+CCOC(c1c(C)nc(nc1)NN)=O	1657
+CCOC(c1c(C)nc(Cl)nc1)=O	740
+c1(c(C)nccc1)CO	351
+c1(C(=O)O)c(C)onc1-c2ccncc2F	6
+c1nccc(n1)-c2c(C(=O)O)c(C)on2	6
+C(C)OC(c1cn(-c2cccnc2)nc1Cl)=O	2962
+c1(c(Cl)nc(SC)nc1)CO	897
+CCOC(c1c(NC)nc(SC)nc1)=O	40
+FC(F)(F)CNc1c(cccn1)C(=O)OCC	70
+n1cccc(c1-c2ccc(cc2F)F)C(=O)OCC	140
+c1c(cc2nsnc2c1)Oc3c(cccn3)C(OCC)=O	136
+c1cc(ccc1)CN2CCN(CC2)c3ncccc3C(OCC)=O	43
+c1cc(ccc1Nc2ccccn2)Oc3ncccc3C(OCC)=O	136
+c1c(cc2nonc2c1)Oc3c(cccn3)C(OCC)=O	136
+CCOC(=O)c1c(F)cnc(Cl)n1	8363
+c1c(c(I)nn1C2CCCCO2)C(=O)OCC	1738
+Nc1c(CO)cnc(Cl)c1	351
+c1ccccc1NC(=O)Nc2c(cnn2C)C(=O)OCC	8364
+CN(C)c1ccc(cc1)-c2nc(ncc2)-n3cc(C(OCC)=O)c(n3)N	2963
+n1cccnc1-n2nc(c(c2)C(OCC)=O)N	2963
+c1(CO)c(NC)cc(Cl)nc1	351
+c1(CO)c(NC)nc(SC)nc1	897
+CCOC(C1=CN(C)c2c(Cl)nc(C)cc2C1=O)=O	8365
+CCOC(C1=CN(C)c2c(C1=O)sc(C=O)c2C)=O	8366
+CCOC(c1c(C)c(Br)n(C)c1)=O	819
+c1cc(ccc1)COC(=O)OC2Cc3c(c(cnc3CC2)C(=O)OCC)O	405
+c1(Oc2cc(ccc2)F)c(CO)cccc1	217
+Cc1nn(-c2cccnc2)cc1C(=O)OCC	2962
+c1(c(C(OCC)=O)c[nH]n1)C=O	178
+c1cc(ccc1)Cn2nc(c(c2)C(=O)OCC)[N+]([O-])=O	309
+c1ccc2c(-c3c(csc3CO)-c4ccccc4O2)c1	2842
+O1CCCn2c1c(C(=O)O)cn2	6
+Ic1c2c(nc(Cl)cc2C(=O)OCC)n(C3CCCCO3)n1	1846
+c1c(c(Cl)cc(OC)c1)OCc2csc3c(cnc(Cl)c23)C(=O)OCC	1739
+C(C)OC(c1cnc(Cl)c2c(COc3cc(ccc3C)NC(c4ccc(NCCO)c(Cl)c4)=O)csc12)=O	1739
+c1cc(ccc1Br)OCc2c3c(ncc(C(OCC)=O)c3sc2)Cl	1739
+c1cc(ccc1COc2cc(ccc2)OCc3c4c(sc3)c(C(=O)OCC)cnc4Cl)Cl	1739
+c1ccccc1C(Nc2ccc(c(OCc3c4c(c(cnc4Cl)C(OCC)=O)sc3)c2)C)=O	1739
+CCOC(c1c2c(I)n[nH]c2nc(Cl)c1)=O	4190
+CCOC(c1c2c(n[nH]c2)nc(Cl)c1)=O	137
+C(OC)Cc1n2c(c(C(=O)O)c1)c(Cl)ccc2	6
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(cnn14)C(=O)OCC	790
+c1cc(N2C(CCC2)c3cc(ccc3F)F)nc4c(cnn14)C(=O)OCC	790
+O1CCc2c3n(ncc3CO)ccc12	536
+O=S(=O)(n1c(C)c(C(=O)OCC)cc1Br)c2cnccc2	1690
+c1(C(=O)O)cc(Br)c(C)[nH]1	6
+CCOC(c1cc(c(Cl)nc1)C#N)=O	4496
+c1ccccc1-c2sc(nn2)NC(=O)c3c(c4c(ncc(C(OCC)=O)c4)s3)N	3192
+c1ccccc1COCCCCN(C(=O)c2cc(cc(C(OCC)=O)c2)C)CCC	30
+c1(C(=O)O)cc(Cl)c(C)[nH]1	6
+CCOC(c1cc(C#N)c(O)nc1)=O	2189
+CCOC(c1cc2c(nc1)n(CCCOC)c(N)n2)=O	8367
+c1cc(C(=O)O)cc([N+]([O-])=O)c1OCC	6
+c1(C(=O)O)cc([nH]c1)-c2n[nH]c3c2cccn3	6
+c1cc(ccc1)CCNC(=O)c2cc([nH]c2)-c3n[nH]c4c3cccn4	1556
+CCOC(c1cc(N)c(NCCCOC)nc1)=O	13
+c1cc(ccc1Nc2nc3cc(ncc3[nH]2)C(OCC)=O)OC	8368
+c1(Cl)c2c(ccn1)cc(CO)[nH]2	194
+c1cc2cc(CO)[nH]c2nc1	194
+c1cc(ccc1)S(=O)(=O)n2ccc(C(OCC)=O)c2C	917
+c1cc(ccc1OCC=C)CCC(c2[nH]c(C(OCC)=O)cc2)=O	1053
+c1cc(ccc1Cl)CC(c2cc([nH]c2)C(=O)OCC)=O	432
+CC(C)(C(=O)OCC)c1ccc(cc1)OCc2ccccc2C(OCC)=O	22
+O=S(=O)(c1sc(cc1)C(=O)OCC)Cl	2206
+C(C)OC(c1sc(cc1)[N+]([O-])=O)=O	8369
+n12CCOCc1c(cc2)C(=O)O	6
+COc1cc(cc(OC)c1OC)-c2cc(C(OCC)=O)ccn2	140
+c1(cc(cc(OC)c1Cl)-c2nccc(C(OCC)=O)c2)OC	140
+C(C)OC(c1cnn(C)c1)=O	1211
+C(C)OC(c1cnn(c1)CC#N)=O	4497
+COC(OC)c1c(Br)cnc(-n2cc(C(=O)OCC)cn2)c1	1706
+C(C)OC(c1cnn(-c2nc3c(c(O)n2)cc([N+]([O-])=O)cc3)c1)=O	8370
+n1cc(C(=O)OCC)cn1-c2n(COCCOC)c3c(n2)c(c(Cl)c(Cl)c3)Cl	2482
+c1cc(ccc1C)S(=O)(=O)n2cc(cn2)C(OCC)=O	3952
+c1cc(ccc1OC)Cn2ncc(C(=O)OCC)c2	309
+c1cc(ccc1-n2ncc(C(OCC)=O)c2)Oc3c(Cl)ccc(c3)F	568
+c1cc(ccc1-n2ncc(C(OCC)=O)c2)OCCCN3CCCC3C	568
+C(c1ccc2CCCN(c2c1)CCOC)n3ncc(c3)C(=O)OCC	4498
+C(c1ccc2c(cc(C)n2C)c1)n3ncc(c3)C(=O)OCC	4498
+c1c2c(ccc1)nc(c3c(C(=O)OCC)cnn23)Cl	8371
+C(c1n(C)c2c(cccc2)c1)(=O)NC	780
+FC(F)(F)c1ccccc1COC2CN(C2)c3ncc(s3)C(=O)OCC	641
+CN(C)CCCCNC=O	1212
+FC(F)(F)c1cc(n(n1)C)Oc2cccc(CNC=O)n2	1212
+c1cc(ccc1S(=O)(=O)N2C3CC(C(C=O)C2CCC3)=O)Cl	8372
+c1c(c(c(cc1)OC)C)CCNC=O	1212
+c1cc(c(cc1F)C)C(c2ccc(F)cc2C)=C(c3nnnn3C)C=O	4499
+CCn1c(C(=O)Nc2cccc(C(c3ccc4NC(=O)C(C=O)c4c3)=O)c2)cc(C)n1	1557
+c1cc(N)c(cc1)CC(c2sccc2C)N(C=O)C	3695
+c1c2c(cc(CNC=O)c1)N(c3c(nccn3)S2)COC	1212
+c1ccccc1-c2nn(c3C4(CC(C(=O)C(C)C4CCc23)C=O)c5ccccc5)C	4500
+c1cc(ccc1)C23C(CCc4c2nc(nc4OC)-c5ccccc5OC)C(C)C(C(C3)C=O)=O	4500
+c1cc(ccc1)COc2cccc(c2)CCNC=O	1212
+c1ccccc1Oc2cccc(C(C#N)C=O)c2	8373
+c1cc(ccc1Br)CCc2c(CCNC=O)cccc2	1212
+c1cc(ccc1Cc2cc3C(C=O)C(=O)Nc3cc2)NC(=O)c4n(nc(c4)C)CC	1557
+c1cc(ccc1C(c2ccc(cc2)F)=C(c3n(C)nnn3)C=O)F	4499
+c1cc(ccc1NC(C)=O)C(=O)c2cc3NC(=O)C(C=O)c3cc2	1557
+c1ccccc1Cn2c3c(c(OCCNC=O)ccc3)c4c2ccc(C)c4	1212
+c1csc(c1)C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4C=O)c2	1557
+C1(C(c2sc(C)nc2CC1)=O)C=O	8374
+c1ncncc1CC(C(OCC)=O)C=O	2474
+Clc1cc(cc(Cl)c1Oc2cc3cc(ccc3nc2)C(=O)OC)[N+](=O)[O-]	8375
+c1cc(ccc1C)CC(=O)c2c(Cl)cc(cc2)Cl	4501
+c1cc(ccc1CC(=O)c2c(Cl)cc(cc2)Cl)F	4501
+CC(C)(c1ccccc1Br)O	8376
+c12c(CCC1)cc(c(c2)I)C=O	4502
+c1cc(ccc1-c2nc(cc(C)c2)-n3c(C)ccc3C)C=O	4502
+c1(ncc(Cl)cc1Cl)C(=NOCC)CBr	1213
+O=S(=O)(c1ccc(c(c1C=NOCC)Cl)C(O)=O)C	135
+c1cc(ccc1)CC(NC(c2c(-n3cc4ccccc4n3)nccc2)=O)C(O)C(=O)NOCC	293
+c1ccccc1CN2C(C(NC(C(C(NOCC)=O)O)Cc3ccccc3)=O)CCC2=O	293
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3C(CCCO3)=NOCC	350
+CCOP(OCC)(=O)C(P(OCC)(OCC)=O)CCCOc1ccc(cc1)C(C=C)=O	116
+CCOP(OCC)(=O)C(P(OCC)(OCC)=O)CCCI	343
+C1C2N(C(CC2)c3ccc(c(F)c3)F)C(C(C1)=Cc4cc(c(-n5nc(C)nc5)cc4)OC)=O	3528
+c1(ccc(C)c(c1C=C2C(NC(=O)N2C)=O)C)[N+]([O-])=O	3864
+C(OCCOCCP(=O)(OCC)O)COC	228
+O(CC)P(OCC)(=O)Cc1c(cc(c(C)c1)C=O)C	8377
+O(CC)P(OCC)(Cc1cc[n+](c2ccccc12)[O-])=O	924
+CCOP(OCC)(Cc1c2ccccc2nc(c1)C(=O)N)=O	862
+FC(F)(F)c1c(nc(nc1)Nc2c(OC)cc(CP(OCC)(OCC)=O)cc2)Cl	55
+c1cc(ccc1OC)C=Cc2cccc(I)c2	1265
+c1cc(ccc1)P(c2ccccc2)c3ccc(cc3)P(OCC)(OCC)=O	8378
+C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C	142
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(Cl)c3)Br	142
+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(c(NC(CP(OCC)(OCC)=O)=O)cc34)OC	33
+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(OCC)c(cc34)NC(CP(OCC)(OCC)=O)=O	33
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(ncnc2cn1)Nc3ccc(c(Br)c3)F	142
+CCOP(OCC)(=O)Cc1c2c(nc(C#N)c1)cccc2	8379
+C1CC(CCC1)CCCCCCCCCCCCP(OCC)(=O)O	228
+c1c(Br)c(c(cc1CP(O)(OCC)=O)Br)Oc2cc(C(C)C)c(cc2)O	228
+c1ccccc1-n2c(c(c3c2cccc3)C=O)N4CCN(CC4)CCOP(OCC)(OCC)=O	4337
+c1cc(ccc1CC(N)=S)C(OC)=O	8380
+CCOP(OCC)(=O)c1cc(sc1)-c2c(P(OCC)(OCC)=O)cc(s2)I	1927
+c1cc(ccc1C(Nc2ccc(cc2)P(OCC)(OCC)=O)=O)Oc3ccccc3	67
+CCOP(OCC)(c1ccc(cc1)N)=O	0
+CCOP(OCC)(c1sc(Cc2cc(C(O)=O)cc(OC(C)C)c2)cc1)=O	1429
+[O-][N+](c1cc(OCC)c(P(OCC)(C)=O)cc1)=O	8381
+CCO[Si](OCC)(OCC)CCCI	363
+O(CC)[Si](OCC)(OCC)CCCOCc1ccc(cc1)OC(=O)c2ccccc2	481
+CN(C)C=Cc1c(cc(C#N)c(n1)OCC)[N+](=O)[O-]	1693
+c1cc(ccc1OC)COc2c(cc(cn2)Br)OCC	91
+O(c1c(OCC)cccn1)C	91
+CCOc1c(F)cc(c(N)c1Br)Cl	0
+O=C(O)c1c(OCC)c2c(c(OCC)c1C(=O)O)cccc2	6
+CCOc1c2c(CC(=O)OC)c[nH]c2c(Cl)cc1F	27
+CCOc1c2c(CC(=O)OC)cn(c2c(Cl)cc1F)C	144
+O(CC)c1c2c(CC(OC)=O)cn(C)c2ccc1F	2207
+C(Oc1c2c(C(=O)N(C2=O)c3ccc(cc3)CC(OCC)=O)c(c4c1cccc4)OCC)C	668
+CCOc1cccnc1CSCCNC(SC)=C[N+](=O)[O-]	8382
+CCOc1cccnc1CSCCNC(=C[N+](=O)[O-])NC	2063
+CCOc1c(Cl)nccc1	137
+CCOc1ccnc(NCCN)c1	340
+FC(F)(C)C=CC(=O)NCCNc1cc(ccn1)OCC	8383
+C(COP(CCC#N)(CC)=O)O	8384
+Clc1ccc(c(c1)SCC)C=O	411
+S(CC)C(c1sc2c(Cl)cccc2c1)=O	8385
+FC(F)(F)c1cc(SCC)cc(S(=O)(=O)N(C)C2CCCc3c2cnn3CC(OCC)=O)c1	411
+O=S(=O)(C)c1cc(C(O)=O)c(SCC)cc1	411
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(nc(c4)CCCSCC)F	786
+S(CC)c1c(N)c(Br)cc(n1)CC	8386
+O=S(=O)(CCCn1c(cc2c1ccc(c2)Cl)C(OCC)=O)CC	8387
+O=S(=O)(CC)c1ccc(C=O)cc1F	2964
+Clc1cc2N(Cc3ccccc3Oc2cc1)C(=O)CNC(=O)CCSCC	952
+C1CC1(c2ccccc2)N	4368
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cnc(c4)C5(CC5)OC	8388
+Cc1c2nc(C3CC3C(CC)=O)nn2c(C)cn1	2851
+Clc1cc(Cl)c(N2CCCn3c2nc4c(Cl)ccc(c34)C(CC)O)cc1	1430
+Clc1ccc(C(CC)=O)c(Nc2ccccc2Cl)c1	1740
+FC(F)(F)CN1C(Nc2c(cc(cc2)F)C1(CC)c3ccccc3)=O	8389
+FC(F)(F)c1cc2c(C(O)CC)ccc(COC)n2n1	1430
+FC(F)(F)c1cc2n(c(ccc2C(CC)O)OC)n1	1430
+O=C(OC)C(=COC)c1ccccc1COc2cc(c(C(CC)O)cc2C)C	758
+c1(C)nc(OC)ccc1N2CCCn3c2nc4c(Cl)ccc(C(O)CC)c34	1430
+n1c2c(c(O)nc1CCCC)cc(cc2)C(O)CC	758
+c1(cc(c(cc1)Oc2ccnc3cc(c(cc23)OC)OC)C(O)CC)Cl	758
+C1CC1(c2ncccc2)N	4503
+C(c1cc(C)ccc1Oc2ccnc3cc(c(cc23)OC)OC)(O)CC	758
+CCC(c1ccc2occc2c1)=O	1740
+c1c(cc(c(C(CC)=O)c1)C)Br	1740
+c1c(cc(C(O)CC)c(F)c1)Br	758
+c12nc(c(nc1cc(Cl)c(Cl)c2C(O)CC)OC)OC	1430
+c1cc(ccc1)CN(Cc2ccccc2)c3ccccc3C4(CC4)O	8390
+c1ccccc1Nc2c(ccc(Cl)c2)C(CC)=O	1740
+c1cc(ccc1COCOC)-c2ccc(nc2)C(O)CC	2899
+c1cc(ccc1-c2nc3ccn4c(c3cc2-c5ccccc5)nnc4CO)C6(CC6)N	2208
+C1CC1(c2ccc(cc2)Br)N	2208
+C1CC1(c2ccc(cc2)C#N)N	2208
+c1cc(ccc1-c2ccc(nc2)C(O)CC)C(N)=O	2899
+C1CC1(c2ccc(OCOC)c(n2)Cl)N	4503
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCc4ccc(cc4)C5(CC5)N	2208
+c1ccccc1CC=2C(N3CCSC3=NC=2C(O)CC)=O	8391
+c1(c(nc(SC)nc1Cl)CC)C#N	4336
+C1CC1(c2ncc(cn2)C)N	8392
+C1CC1(N)c2oc(C)cn2	8393
+FC(F)(F)c1cc(-c2nc(c(cc2)C(CC)O)C)ccc1	8394
+c1(c(C)ccc(c1)F)C=C([N+](=O)[O-])C	1734
+c1c(cc(C=C([N+](=O)[O-])C)c(F)c1)F	1734
+c1cc(ccc1C=C(C)[N+]([O-])=O)Cl	1734
+c1ccccc1C(C([N+]([O-])=O)C)O	8395
+c1c(C#N)ccc(C2c3c(NC(=C2C(=O)C)C)ccnc3OCC)c1CC	8396
+CC[Si](CC)(CC)c1[nH]c2c(c1CCCC3(CCC(CC3)(c4ccccc4)N(C)C)O)cncc2	8397
+CC(C)(C(N)=O)c1c(cccc1)C#C	8398
+C(C)[Si](CC)(CC)OCc1cn(COCC)cn1	19
+C(C)[Si](CC)(CC)OC(c1ccc(c(NS(=O)(=O)C)c1)OCc2ccccc2)CI	19
+C(C)[Si](CC)(CC)OC(CN(Cc1ccccc1)CCOCc2ccccc2)c3cc([N+](=O)[O-])ccc3	19
+CC[Si](CC)(CC)OC(CC)(CC)CCC=C(c1cc(cs1)C=O)CC	8399
+CC[Si](CC)(CC)OC(CC)(CC)CCC=C(CC)c1cc(CO)cs1	8400
+O(Cn1c(C(=O)C)nc(CO)c1)CC	4504
+C1CC(CCC1(O)CCCc2c[nH]c3ccncc23)(c4ccccc4)N(C)C	8401
+c1cc(ccc1OC)Nc2c(cccc2)NC(c3conc3CC)=O	2965
+Cc1nc(c(C(=O)OC)cc1CC)OC	91
+O(c1c(cc(CC)c(C)n1)[N+](=O)[O-])C	91
+CCc1c(C)nc(Cl)c(c1)[N+](=O)[O-]	8402
+C1(C(=O)Nc2cc(CC)c(cc2N1)CC)=O	2966
+C1C(C(CN(C1)c2cc(OC)cc(c2)C(=O)OC)OC)NC(c3nc(Cl)c(CC)[nH]3)=O	855
+c1cc(ccc1-c2nc(C(OC)=O)co2)NC(=O)c3[nH]c(c(CC)n3)Cl	616
+Cc1nc(-n2nc3CCC(NC(c4nc(Cl)c(CC)[nH]4)=O)Cc3c2)sc1C(=O)OCC	855
+o1c(nc(C(=O)OCCCC)c1CC)N2CC(C(CC2)NC(c3[nH]c(c(CC)n3)Cl)=O)OCCC	855
+c1(nc(cnc1Cl)C(NCc2sc(C)nc2)=O)CC	312
+CCc1c(Cl)ncc(C(=O)O)n1	1
+c12c(n(cn1)C)cc(Nc3c(CC)cc(-c4cccs4)nc3)nc2	8403
+O(c1c(CC)cc(Br)c(C)n1)C	766
+O=S(=O)(c1ccc(s1)-c2c(nc(c(c2)CC)O)C)Cl	2206
+CCc1c(O)ncc(C(=O)OC)n1	1910
+CCc1c(Cl)ncc(C(=O)OC)n1	4505
+N(=[N+]=[N-])Cc1cccnc1CC	8404
+FC(F)(F)c1ccccc1CC(NC(c2sc(C)c(-c3c(CC)cnn3C)c2)=O)CN4C(c5ccccc5C4=O)=O	227
+CCc1c(n(C)nc1)-c2c(C)sc(C(=O)O)c2	1
+n1c(c(CC)c(n1C)-c2csc(c2)C(=O)OC)Cl	2209
+c1c(CC)c2c(ccc(C=O)c2cc1)O	582
+CCc1cc(NC=2C(N(C=C(Br)C=2)C)=O)no1	523
+CCc1c(CC)cc(c(N)c1)N	0
+O(c1c(cc(c(c1)OCC)Br)CC)C(C)=O	385
+C(c1cc(cc(CC)c1-c2cccc(c2)CO)OCCCS(=O)(=O)C)C	41
+CCc1cc(cnc1CC)-c2nc(no2)-c3cc(CC)c(OCC4OC4)c(C)c3	72
+c1cc(ccc1Cn2c(ccc2)CC)-c3c(Br)cccc3	8405
+c1(CC)cccc(CC)c1C(Cl)=O	82
+CCc1cccc(CC)c1NC(=O)N2Cc3c(C(=O)O)n[nH]c3C2	6
+c1cc(ccc1-c2c(CC)ccnc2N)OC	89
+FC(F)(F)CCNC(=O)c1ccc(cc1)-c2csc(-c3cc(ncc3)CC)n2	1741
+O=S(=O)(Nc1onc(CC)c1Br)c2ccccc2	4506
+CCn1c(C(=O)Nc2cccc(C(c3ccc4c(C(C(N4)=O)=CNc5cccc(O)c5)c3)=O)c2)cc(C)n1	1300
+c12c(c3c(nn(c3CCCCN)CC)c(N)n1)CCCC2	3426
+CCn1nc(C)c2C(CCc3ccc(C)c(C)c3)NCCCc12	2967
+CCn1c(c(Cl)cn1)-c2coc(c2)C(=O)OC	697
+CCn1c2ccccc2c(C(Nc3ccc(cc3Cl)CC(O)=O)=O)c1	4
+CCn1c2ccccc2c(C(Nc3ccc(CC(OC)=O)cc3Cl)=O)c1	246
+CCn1c2ccccc2c(c1)C(=O)O	1
+CN(C)c1ccc2c(ccc(n2)C)c1	4507
+CC(C)(c1c(c(Oc2ccccc2C)ccc1)OC)C#N	2451
+CC1(C)C(c2c(cc(c(c2)OC)CCCCCC)C1)=O	8406
+CC(c1cc2c(cc1)N(C(=O)N2C)C)=O	8407
+CN(C)c1ccc(cc1)-c2oc3c(cccc3c2)C(=O)OC	4507
+CN(C)CCCOc1ccc(OCCCC)cc1CCCOC	76
+CC(c1ccc(OC)c(OC)c1)C(=O)OC	643
+COc1c(OC)cc(cc1)C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O	2968
+c1(cc(cc(OC)c1)NC(SC)=C(C#N)S(=O)(=O)C)OC	8408
+CC1(C)c2c(cc(cc2)OC)NC1=O	8409
+COc1cccc2ccc(CC)nc12	8410
+COc1nc(c(cc1)C(OCC)=O)C(C)C(=O)OCC	8411
+C[Si](C)(C)C#CC(OC)c1ccccc1C#Cc2ccccc2	4145
+C[Si](C)(C)C#Cc1c(C(C)C(OC)=O)cccc1	643
+C[Si](C)(C)CCOC(=O)N1C(CC(c2cc3c(ccc(c3)C=C)cc2)(OC)C1)C(OC)=O	76
+C[Si](C)(C)CCOCn1ccc2c1nccc2N(C)c3c(cc(cc3)[N+]([O-])=O)F	4260
+C[Si](C)(C)CN=C(c1cc(C#N)c(-n2ncnc2)cc1)SC	4508
+C[Si](C)(C)CN=C(SC)c1ccc(Br)c(C)c1	4508
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)COC	76
+Cc1c(cc2CCCCC(c2n1)OC)C(=O)OCC	76
+c12cccc(C)c1n(cc2)C	144
+COc1cc(C)ccc1Cl	65
+COc1cc(C)cc(C)c1CCCC	65
+c1c2c(ccc(c2)C(=O)OC)n(C)c1C	144
+Cc1n(C2=CC(=O)N(C)C=C2)c(nc1C#Cc3cccc(C)c3)C	8412
+Cc1c2c(n(C)n1)ncnc2Cl	2969
+Cc1c(CC(OC)=O)c(O)nc(SC)n1	2970
+Cc1nn(C)cc1N2c3c4cc(ccc4ncc3N(C2=O)C)Br	3954
+Cc1oc2cc(N(C)c3nc(Cl)ncc3)ccc2c1C(NC)=O	1121
+N1=NN(c2cccc(Cl)c2C)C(=O)N1C	2493
+Clc1cc2N(CCOc2c(C(=O)OC)c1)C	891
+Clc1cc(Cl)c(c([N+]([O-])=O)c1)OC	65
+Clc1cc(c(C=O)c(Cl)c1)OC	65
+O(C)c1ncc(c(Cl)c1)[N+](=O)[O-]	766
+Clc1cc(c(c([N+]([O-])=O)c1)NC)OC	2971
+Clc1cc(Br)c(c([N+]([O-])=O)c1)OC	65
+Clc1cc(C(=O)OC)c(c([N+]([O-])=O)c1)C	272
+Clc1cc(Br)c2c(n(cn2)C)c1	1652
+Clc1ccc2C(C(=O)Nc2c1)C	2528
+Clc1ccc2C(c3nc(sc3C=Cc2c1)C)c4c(nc(nc4)O)SC	8413
+Clc1ccc2c(I)nn(C)c2c1	2158
+Clc1ccc2cc(-c3cc(C=O)cnc3)n(c2c1)C	144
+Clc1cccc(C2=CC(=O)N(C)c3ccc(C(c4cccc(I)c4)=O)cc23)c1	4509
+c1c(Cl)c(c(cc1)Cl)C=2C(=O)N(c3c(c(nc(Nc4ccccc4)n3)N)C=2)C	8414
+Clc1cc(cc(Cl)n1)C	8415
+CC(c1c(Cl)cccc1F)C(OC)=O	643
+Clc1cccc(c1)-c2onc(C3N(C(SC)=NC)CCCC3)c2	1956
+C=1N(C(C([N+](=O)[O-])=C(C=1)Cl)=O)C	8416
+Clc1ncc(c(c1)C(=O)OC)[N+](=O)[O-]	272
+FC(F)(F)C(=O)NC(C(=O)NCCCc1n(c2ccccc2c1)C)CC	144
+FC(F)(F)C(=O)N1C2C(C)(C)C(C)(c3ccc(c(c3C2)OC)[N+](=O)[O-])CC1	65
+FC(F)(F)C(=O)N(C)C1CCN(CCC1)c2n(ncc2[N+](=O)[O-])CC(F)F	782
+FC(F)(F)C(N(CC1(CCN(CC1)C(OC(C)(C)C)=O)c2ccc(cc2)I)C)=O	782
+FC(F)(F)C(=O)N(CCc1ccn(S(=O)(=O)c2ccccc2)c1)C	782
+FC(F)(F)C(=O)N(c1ccc(cc1)I)C	239
+FC(F)(F)C(=O)N(C)c1ccc2nc(oc2c1)C	239
+FC(F)(F)C(=O)N(c1ccccc1C#N)C	239
+FC(F)(F)C(OC)c1cc(ncc1)C#N	76
+FC(F)(F)C=1N(C(N(C(C=1)=O)c2ccc3snc(Cl)c3c2)=O)C	1742
+FC(F)(F)C=1N(C(=O)N(c2c(cc(Cl)c3CCCOc23)F)C(=O)C=1)C	1742
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2cc(c(cc2F)Br)OCC	1742
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(cc(c(c2OC)N)Cl)F	1742
+FC(F)(F)C=1N(C)C(N(C(=O)C=1)c2cc(c(Br)cc2F)OCC=C)=O	1742
+FC(F)(F)CC(C(=O)N1C(=O)OCC1Cc2ccccc2)C	4082
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(OC)=O	272
+FC(F)(F)CCc1c(ccc(C(C)=O)c1OC)OCCCOc2cc(ccc2)[N+]([O-])=O	65
+FC(F)(F)CN(C)c1ccc(cn1)[N+]([O-])=O	1347
+FC(F)(F)COc1cc(ncc1C2CC2)C(=O)NC(c3nnn(C)n3)(CC4CC4)C	1694
+FC(F)(F)COc1nc(C(OC)=O)ccc1	272
+FC(F)(F)Oc1cc(N(C)S(=O)(=O)c2cccs2)c3c(c1)cc(C(=O)OCC)[nH]3	1214
+FC(F)(F)Oc1ccc(cc1)-c2cc3n(ccc3cc2)C	144
+FC(F)(F)Oc1ccccc1SC	2210
+FC(F)(F)S(=O)(=O)N(C)c1c(Oc2c(cc(cc2)Cl)Cl)cc(cc1)Cl	418
+FC(F)(F)c1n(C)c2cc(OC)ccc2c1C(=O)OCC	144
+FC(F)(F)c1c(Cl)ccc(Oc2c(cc(CSC=3N(C=C(Cc4cncnc4)C(=O)N=3)C)cc2)C#N)c1	8417
+FC(F)(F)c1c(c(OC)ccc1)F	65
+FC(F)(F)c1c(ccc(C#N)c1)Oc2ccc(C=C3SC(SC)=NC3=O)cc2OC	4510
+FC(F)(F)c1cc(nc2n(C)nc(I)c12)Cl	2969
+FC(F)(F)c1cc(ccc1)N2C(N(C)C(C(C(OCC)=O)=C2C)c3ccc(C#N)cc3Br)=O	1431
+FC(F)(F)c1cc(N2C(=O)C(c3ccc(cc3)F)(N(C)C2=O)COCC=C)ccc1C#N	1949
+FC(F)(F)c1c(C#N)ccc(c1)N2C(C(N(C)C2=O)(COCC=C)c3ccc(cc3)C#N)=O	1949
+FC(F)(F)c1cc(ccc1)N2C(=O)N(C)C(C(C#N)=C2C)c3c([N+]([O-])=O)cc(cc3)C#N	1431
+FC(F)(F)c1cc([N+](=O)[O-])c(N2CC(N(C)C(OC(C)(C)C)=O)CCC2)cc1	397
+FC(F)(F)c1cc(c(c(C(=O)OC)c1)C)[N+](=O)[O-]	272
+FC(F)(F)c1nc2ccc(-c3cc4ccccc4o3)cc2c(OC)c1	65
+FC(F)(F)c1cc(S(=O)(=O)N(C)C2CCCc3n(ncc23)CC(=O)OCC)cc(F)c1	693
+FC(F)(F)c1cc(ccc1C#N)Oc2ccc(cc2)-c3nc(cc(C=C)n3)C(OC)=O	272
+FC(F)(F)c1c(OC)cc2c(n(cc2C)C)c1	144
+FC(F)(F)c1c(cc2c(ccn2C)c1)F	144
+FC(F)(F)c1cc2ncn(-c3ccccc3)c2c(c1)-c4cc(N(C)C(C)=O)ccc4	239
+FC(F)(F)c1ccc(c2n(C)c(cc12)C(OCC)=O)OCc3ccccc3	144
+FC(F)(F)c1ccc(cc1)-c2cc(C)ccc2C(=O)OC	272
+FC(F)(F)c1ccc(cc1)C2N(C(=O)N(C)c3ccccc3)CCc4c2cccc4	620
+FC(F)(F)c1cc(C)c(C2=NC(C)(C)CO2)cc1	1297
+FC(F)(F)c1ccc(cc1)C=Cc2occ(n2)C(N(c3ccc(cc3)CCCCn4ccnn4)C)=O	816
+FC(F)(F)c1ccc(cc1)N(C(c2ccc(C#N)c(C)c2)=O)C	816
+FC(F)(F)c1cc2c(cc1)N(C(CC2(C)C)c3cc(Br)ccc3)C	891
+FC(F)(F)c1cccc(N2C=3CCNC(=O)C=3C(c4c(cc(C#N)cc4)Br)N(C)C2=O)c1	1431
+FC(F)(F)c1cccc(C(Nc2cc(N3C(c4c(nc(nc4)SC)N(C3=O)C)=O)c(cc2)C)=O)c1	8418
+FC(F)(F)c1cccc(c1)N2C(N(C)C(C=3C(CCC2=3)=O)c4c(cc(C#N)cc4)SC)=O	1431
+FC(F)(F)c1c(-c2c(C)c(cn2C)C(OC)=O)cccc1	819
+FC(F)(F)c1cnc(-c2ccc(cc2)CC(c3n(C)c4ccc(cc4c3SC(C)(C)C)OC)C(OCC)=O)cc1	144
+FC(F)(F)c1cc(c(nc1)-c2cc3N(C)C(N(C(C)C)c3cc2)=O)Cl	620
+FC(F)(F)C=1N(C)C(C(c2c(cc(c(OC)c2)Cl)F)=NC=1)=O	4511
+FC(F)(F)c1n(-c2cc(C=O)c(OC)cc2)nnn1	65
+FC(F)(F)c1cc(n(C)n1)C	1211
+FC(F)(F)c1nc(c(CN2C(=O)N3C=CC(c4ccc(cc4)Cl)=C(c5ccncc5)C3=N2)cc1)COC	76
+FC(F)(F)C=1N(C)C(C(=NC=1)c2c(cc(cc2)Cl)Cl)=O	4511
+FC(F)(F)c1cc(ccn1)N2C=3CCC(=O)C=3C(c4ccc(C#N)cc4Br)N(C)C2=O	1431
+FC(F)(SCC)C(OC)(c1c(F)cc(F)cc1)Cn2cncn2	76
+FC(F)(c1ccc(F)cn1)c2nc3cc(ccc3c(n2)SC)Br	4512
+FC(F)Oc1cc(Br)cnc1OC	766
+FC(F)c1cc(ccc1)N2C=3CCC(C=3C(N(C2=O)C)c4ccc(cc4)C#N)=O	1431
+C1CC(CCC1(F)F)C(C)(C)C(=O)OCC	1389
+CC1(C)C(N(c2c(N(C1)C3CCC(F)(F)C3)nc(Cl)nc2)C)=O	998
+C1CCC1N2c3c(cnc(Cl)n3)N(C(C(F)(F)C2)=O)C	998
+Fc1c(F)cc(F)c(F)c1C	1297
+c1(F)cc(cc(F)c1)C=2C(c3cc(ccc3N(C=2CC)C)F)=O	8419
+c1c(F)c(c(cc1)F)-n2c3c(C=C(Br)C(=O)N3C)cn2	8420
+Ic1c2c(nccc2[N+](=O)[O-])n(C)c1	2211
+Ic1n(C)c2CCNC(c2c1)=O	819
+C=1N(C(C=C(I)C=1)=O)C	8421
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)NC(SC)=NC#N	8422
+c1(c(cccc1)N(C(c2cc(C)c(C#N)cc2)=O)C)-c3ccco3	816
+c1(N=C(SC)NC)cc(C(=O)O)cc(c1)O	8423
+c1(nn(c2c1ccc([N+]([O-])=O)c2)Cc3ccc(C(=O)OC)cc3OC)OC	8424
+CC1=CC(N(c2ccccc2F)N1C)=O	3845
+N1=C(c2cc([N+]([O-])=O)ccc2)C(=CC=3N1C(=O)N(N=3)C)C	2668
+C(C)OC(N1CCC2C(C1)c3cccc4N(C(CN2c34)=O)C)=O	239
+o1c2c(ccnc2Br)nc1SC	8425
+Cc1nc(SC)nc(O)c1C	4311
+n1c(O)cc(CCC)nc1SC	8426
+N1(C)CCCC(C1)C(Nc2nc(-n3cnc4ccccc34)ccn2)C	1022
+S(C)c1nnc(CCCCO)n1C	8427
+Clc1c(cc2CCC(N(c2c1)C)=O)Br	239
+c1(c(c(N2C(c3ccc(OC)cc3N(C2=O)C)=O)ccc1)C)Br	620
+c1(c(c(N2C(c3ccc(cc3N(C2=O)C)F)=O)ccc1)C)Br	620
+c1cc2CCC(N(c2cc1F)C)=O	239
+C(OC)CN1CCC(N(C)c2cnc(Cl)nc12)=O	998
+c1c(OC)c(c(cc1-c2c(c(nc(n2)N)SC)C#N)OC)OC	8428
+c1(-c2nc(nc(SC)c2C#N)N)ccc3OCOc3c1	8429
+CC(C)(O)c1cccc(c1N)C	8430
+O(C)c1c(F)ccnc1N	542
+c1([N+]([O-])=O)ccc(c(NC)c1)O	2971
+N#Cc1nc(Cl)cc(NC)c1[N+](=O)[O-]	2971
+Nc1cc(cc(c1C(=O)OC)F)Br	272
+O(C(=O)CCCc1ccccc1N(C(c2cc(c(cc2)Cl)Br)=O)C)C	816
+COC(OC)c1nc(SC)ncc1	2970
+c1(C(=O)N(c2ccccc2OC)C)cc(c(cc1)Cl)Br	816
+c1(cc(ncc1)OC)-c2nnc(SC)n2C	4513
+CC(C)(C(OCC)=O)c1cc(Cl)c([N+]([O-])=O)cc1	2035
+O(Cc1cccc([N+]([O-])=O)c1)c2cc(c(cc2)C(=O)C)OC	65
+O(C)C1=CN=C(Cl)N(C1=O)C	8431
+COc1c(c(OC)c(OC)cc1)OC	65
+COc1cc2OCCC(c2cc1)=O	65
+O1CCOC12CCC(CC2)(OC)c3c(Cl)cccn3	76
+O1CCOC12CCC(=O)N(CC2)C	782
+O1CCOC1c2cccc(c2)C(C)(C)COC	76
+c1c(ccc2nonc12)C(=O)N(C3CCCOC3)C	497
+c12c(cc(c(c1)O)C(=O)O)cc(cc2)C(=O)OC	272
+O=C1c2cccc(c2N(C)C(=O)N1c3c(C)c(ccc3)Br)C	620
+O=C1c2cccc(F)c2N(C)C(=O)N1c3c(C)c(ccc3)Br	620
+O=C1N(c2c(C)c(ccc2)Br)C(=O)N(C)c3c(Cl)cccc13	620
+O=C1N(c2c(C)c(ccc2)Br)C(=O)N(C)c3ccccc13	620
+COc1c(ccc(c1OC)C=O)[N+](=O)[O-]	65
+O=Cc1c(OC)c(ccc1)O	65
+O=Cc1cc(C)c(c2c1CCC2)OC	65
+c1c(c(C=O)cc([N+]([O-])=O)c1)OC	65
+O=Cc1c(OC)c(Br)cc(c1)Br	65
+c1c(c(cc(c1)-n2nncn2)C=O)OC	65
+O=Cc1ccc(C(=O)OC)s1	272
+O=Cc1c(OC)c2c(cc1)CCC2	65
+O=Cc1c(c(ccc1)OC)Cl	65
+O=Cc1cccc2ccn(C)c12	144
+O=S(=O)(N(c1c(ncc(c1)Br)NC)C)C	4514
+c1ccccc1COc2ccncc2N(S(=O)(=O)C)C	1214
+O=S(=O)(N(C)c1nc(cc(C(OC)=O)c1)N(CCC)C)C	4515
+O=S(=O)(N(c1cc(ccc1)Br)C)C	418
+O=S(=O)(C)N(C)c1c(cc2c(C(=O)NC)c(-c3c(F)cc(cc3)F)oc2c1)Br	418
+c1cc(ccc1-c2c(c3c(o2)cc(N(S(=O)(=O)C)C)c(c3)Br)C(=O)NC)C#N	418
+O=S(=O)(C)N(C)c1ncc(c(C)c1)Br	4515
+O=S(=O)(N(C1CCCOc2ccccc12)C)CC	693
+O=S(=O)(N(C1c2c(OCCC1)c(cc(Cl)c2)C)C)CC	693
+O=S(=O)(N(CCCC=C)C)CCC(OC)=O	693
+O=S(=O)(Cc1ccccc1-c2nnc(SC)o2)N	8432
+c1ccccc1N(C)S(=O)(=O)c2cc(N3C(=O)N(C)c4ccccc4C3=O)c(Cl)cc2	620
+O=S(=O)(N(C)C(CO)C(CC)C)c1ccc(cc1)Cl	693
+c1cc(ccc1Cl)S(=O)(=O)N(C)C(CO)C(=O)OC	8433
+O=S(=O)(C)N(C)c1cc(cnc1N)Br	1214
+O=S(=O)(c1sccc1)N(C)c2ccc(Cl)c3cc(C(OCC)=O)n(COC)c23	1214
+O=S(=O)(N(c1cc([N+](=O)[O-])c(F)cc1)C)c2sccc2	418
+O=S(=O)(N(c1ccccc1C#Cc2cccn3nc(nc23)Cl)C)C	418
+O=S(=O)(C)c1n(C)c2CCCCc2n1	2968
+O=S(=O)(N)c1ccc(c(C(OC)=O)c1)F	272
+c1c2c(ccc1)C(=O)N(C2=O)c3c(OC)cc(S(=O)(=O)N(C)C)cc3	65
+O=S(=O)(c1ccc(c(Cl)c1)Cl)n2c(c(C(C)C(OC)=O)c3cccnc23)C	8434
+O=S(=O)(N(C)c1cccc(c1)-c2nn3c(cc2)nc(c3)NC(C)=O)c4ccc(cc4)C	418
+O=S(=O)(c1ccc(cc1)Cl)N(Cc2ccc(cc2)C(=O)NC(C)COC)C3C(CCCC3)C	76
+c1cc(ccc1S(=O)(=O)N(C2Cc3c(CC2)c(CC(=O)OCC)n4c3cccc4)C)F	693
+O=S(=O)(c1ccccc1)N(c2cc3c(c(c(-c4ccc(cc4)F)o3)C(=O)OC)cc2Br)C	418
+O=S(=O)(N(C)c1ccc(c([N+](=O)[O-])c1)F)c2ccccc2	418
+O=S(=O)(N(c1c2c(ccc1)cc(C(=O)OCC)n2COC)C)c3sccc3	1214
+O=S(=O)(c1ccccn1)N(c2c3[nH]c(C(=O)OCC)cc3cc(OCCOC)c2)C	1214
+O(C)C(OC)C(CNC(=O)c1cc2c(c(N(C)S(=O)(=O)c3ccccn3)ccc2)n1COC)SCc4ccccc4	1214
+c1cc(ccc1S(=O)(=O)n2ccc3C(Br)=CN(C(=O)c23)C)C	4516
+O=S1(=O)Cc2c(cccc2)N1C	418
+O=S1(=O)N(C)CC2(CC(N(Cc3cccc(OC(C)C)c3)CC2)C)N1c4cccc(F)c4	693
+O=S1(=O)c2ccc(OC)cc2N(C(=O)N1c3ccc(cc3)Cl)C	620
+O=S(=O)(N(c1ccc2c(c1)S(=O)(=O)NC(=N2)C=3C(=O)N(C4C(C5CCC4C5)C=3O)Cc6cc(C)c(cc6)F)C)C	418
+N(=[N+]=[N-])CC(OC)Cn1c(Cl)nc(c1)[N+](=O)[O-]	76
+c1(cc(cc(Br)c1OC)F)[N+]([O-])=O	65
+c1(cc(C)cc(O)c1)OC	65
+c1(nc(c2c(n1)scc2)-c3c(cccc3)F)OC	8435
+C1=C(C=2C(=O)N(C(=NC=2c3cc(F)ccc3)N)C)C=CC(=O)N1C	8436
+C1(C(SC(SC)=N1)=Cc2cc3c(cc2)nc(o3)C)=O	4510
+C1c2c([nH]c3ccccc23)C(N(C(SC)=S)C1C(O)=O)CCC	8437
+n1[nH]c(nn1)C2Cc3c4ccccc4[nH]c3CN2C(=S)SC	8438
+c1([N+](=O)[O-])c(c(Cl)cc(c1C(=O)OC)Cl)OC	272
+[N+]([O-])(=O)c1cc(c(OC)cc1F)F	65
+c1c(cc2Cc3c4c(C)cc(C)cc4n(C)c3-c2c1)F	144
+c1cn(C)c2nc(nc(Cl)c12)Cl	2211
+n1n(C)cc(c1C(=O)N)[N+](=O)[O-]	1211
+c1c(C(=O)c2ccccc2Cl)cc(c(OC)c1Br)CC	65
+Cc1n(c(C#N)c(c1C(=O)C)C)C	819
+c1(C(=O)N2CC(OC)CC2)cc3nccc(Cl)c3s1	76
+c1(C(=O)c2cc(Cl)nc(n2)C)cc(C)c3c(OC(=O)N3C)c1	1743
+c1(C(=O)c2cc(Cl)ncn2)cc(C)c3c(OC(=O)N3C)c1	1743
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+C(CC(=O)O)C(OC)c1cc(C)c(F)cc1	76
+c1(C)cc(ccc1F)C(OC)CC(CC=C)C(=O)O	76
+c1(C=O)cc2c(cc1)n(cc2Cc3c(cc(cc3)C(=O)OC)OC)C	144
+c1(C=O)ccc(c(c1)CC=C)OC	65
+c1(CCl)occ(n1)COC	76
+O(C)Cc1occ(n1)C(=O)OC	76
+c1(Cl)c(F)cc2ccn(c2n1)C	2211
+c1c(c(Cl)ncc1C(=O)OC)OC	542
+O(c1c(Cl)nccc1)C	542
+O(c1cc(Cl)cnc1Br)C	542
+c1n(c2c(c(Cl)nc(n2)Cl)n1)C	4115
+O(C)c1c(C(=O)C)cc(c(F)c1Br)Cl	65
+c1(cc(cc(F)c1C(C(OCC)=O)OC)OCC)F	8439
+O(C)c1c(I)c(C)c(Cl)cc1C(=O)C	65
+c1c(c(c(N)c(c1)C#N)C)OC	65
+c1(c2OCOc2ccc1Cl)N(C)c3nc(Cl)ncc3	1121
+CCC(c1ccc(c(F)c1OC)F)=O	65
+COc1c([N+]([O-])=O)c(ccc1)O	65
+NC1=NC(Cl)=CC(N1C)=O	8440
+c1([N+]([O-])=O)ccc2c(c1)n(cc2)C	144
+COc1cc([N+]([O-])=O)ccc1CC	65
+O(CCc1cc([N+]([O-])=O)ccc1Br)C	76
+c1([N+]([O-])=O)ccc2n(C)nc(c2c1)C#N	2158
+c12c(cc([N+]([O-])=O)cc1)N(C(=O)O2)C	1743
+n1n(C)c(cc1C(=O)OC)[N+](=O)[O-]	1211
+c1(c(c(C)ccc1)C(=O)OC)Br	272
+O=S(=O)(C)c1c(c(C(O)=O)c(F)cc1)F	8441
+c1(c(C2=NC(C(N(C)c3ccc([N+]([O-])=O)cc23)=O)C)cccc1)F	239
+O(C)c1c(c(F)c(Cl)cc1C(=O)C)I	65
+COc1c(c(F)ccc1[N+]([O-])=O)F	65
+c1(c(F)ccc(c1)C(=O)OC)[N+]([O-])=O	272
+c1(c(F)cccc1Cl)-c2nc3cc(C(C)C(OC)=O)ccc3o2	643
+c1([N+]([O-])=O)cccc(OC)c1N	65
+c1c(ccc2c(c(n(c12)C)-c3cnccc3)C#N)F	144
+Cn1nc(N)c(c1N)C#N	1211
+N1=NN(c2c(c(Br)ccc2)C)C(=O)N1C	2493
+c1(C(=O)OC)c(c(cnc1)F)Cl	272
+c1ncn(c1)CCC(=O)c2c(C)n(c3ccccc23)C	144
+COc1c(c(F)ccc1)F	65
+c1(c2c(nccc2Br)n(C)c1)C=O	2211
+c1ncc2C(N(C=C(Br)c2n1)C)=O	8442
+C(c1cn(c2ccc([N+]([O-])=O)cc12)C)c3c(cc(cc3)C(=O)OC)OC	144
+c1(cc(C=O)ccc1)-c2nnn(C)n2	1694
+c1(cc(C(=O)OC)c(cc1Br)[N+]([O-])=O)F	272
+c1(cc(Cl)c(OC)cc1F)[N+]([O-])=O	65
+C(=O)(c1cc(cc(Br)c1C)F)OC	272
+c1(C)cc(cc(C)c1C=2C(=O)CCC=2OC)Br	8443
+c1(cc(cc(C)c1N=C2N(C(N(C)C(=C2)c3ccc(O)c(OC)c3)=O)C)C)C	65
+C1C(CC1)N(C)C(c2cc(ccc2OC)Oc3c(cc(cc3Cl)COC)Cl)=O	497
+Fc1cc(cc(F)c1[N+](=O)[O-])OC	65
+c1(cc(cc(C(=O)OC)c1C)Br)[N+]([O-])=O	272
+c1(C)nc(-c2nc(ccc2)Br)cc(OC)c1	65
+c1ccc(-c2nc3ccccc3n2C)cc1Br	1652
+c1(cc(N(C(C)=O)C)ccc1)Br	239
+c1(cc2N(C(=O)Oc2cc1Br)C)F	1743
+c1(cc2c(n(cc2)C)cc1Br)F	144
+c1cc(Br)nc(C(=O)OC)c1OC	542
+Clc1cc(OC)c(cc1)[N+]([O-])=O	65
+c1(cc(NC(C)=O)ccc1[N+]([O-])=O)OC	65
+c1(c(c(c(F)cc1)F)C(=O)OC)Br	272
+c1c(c(cc(c1)C(=O)OC)C#N)OC	65
+c1(ccc2Cc3c(-c2c1)n(C)c4ccccc34)OC	144
+c1(cccc(C#N)c1)-n2nc(nn2)C3N(C(SC)=NC)CCC3	1956
+c1(cccc(c1)CCC=2N=C(N)N(C(=O)C=2)C)Br	8444
+c1cc2ccccc2c3c1N(C(=O)CC(=O)N3C)c4cc(ccc4)C#N	239
+c1(cccnc1Br)COC	76
+C=1N(C(C(=CC=1)C(=O)OC)=O)C	8445
+c1(ccnc(OC)c1Br)C	766
+CSc1nc(nc(SC)c1C#N)N	4512
+c12c(ncc(Br)c1n(cc2)C)Br	144
+O(C(CCCCCCn1ccc(n1)-c2c(cccc2)OC)=O)CC	65
+c1cc2C(N(C)N=Nc2s1)=O	8446
+c12OC(=O)C3=C(C(C(C(=O)OCC)=CN3C)=O)c1cccc2	8447
+Cc1cn(c2C(CCNC(=O)c12)=O)C	819
+Cn1cc(C)c2c1cccc2	144
+O(C)C(c1c2ccccc2n(C)c1)=O	144
+CC1(C(=O)OC)CCOc2c1cc(c(F)c2)C#N	2035
+C1(=C(C(N(C)c2c1cccn2)=O)C(=O)C)O	8448
+c1(c2c(cccn2)n(C)c1)C=O	8449
+c12c(cc(cc1C(OC)=O)CCOC)cccc2	76
+C1c2c(CC1(c3cn(Cc4ccccc4)cn3)COC)cccc2	76
+c1c2cc(C)c(cc2ccc1)C(C#N)C	4517
+CN(c1c(CC)cc(-c2cccs2)nc1)c3ncc4c(c3)n(cn4)C	8450
+CN1C(=O)c2c(Cl)nc(cc2N=C1)Cl	8451
+C(C)OC(C=1C(c2c(ccc(C(=O)c3c(c(OC)c4ccccn34)C)c2)N(C)C=1)=O)=O	8452
+c1cc2ccccc2c(OC)c1Br	65
+COc1cccc2ccc(C)nc12	542
+c12cccc(OC)c1ccc(N)c2	65
+c12ccccc1-c3c(cccc3)C2COC(NC(CO)(C(OC)=O)C)=O	325
+c12nc(C)ccc1C(=O)N(C)c3ccccc3N2	816
+c1c(c(SC)c2ccccc2n1)N	2210
+c1[nH]c2c(c1CC(OC)=O)cc(OC)cc2	325
+c1c(Br)cc2CN(C(c2c1)=O)C	497
+c1c(C)c(C(=O)OC)c(Cl)nc1Cl	272
+c1c(C)c(c(cc1)C)COc2cccc(c2)C(C(=O)OCC)C	643
+c1(C)cc(cc(C)c1C#N)C(C(c2c(cc(OC)cc2)Cl)C)=O	1566
+c1c(C)c(c(cc1COC)C)Oc2nc(cc(NC(CC)CC)c2C)C	76
+c1(OC)cc(F)cc(c1)CC(OC)=O	65
+c1c(c(Br)c(C)cc1)CCOC	76
+c1c(CO)c2N(CCCc2cc1)C	891
+c1(F)cccc(F)c1Cc2cc(OC)c(OC)c(c2)Br	65
+c1c(I)cc(c(NC2=CC(=O)N(C)C=C2[N+]([O-])=O)c1)F	8453
+c1cc(c(Br)nc1I)OC	542
+c1(cccc(NC)n1)N	4514
+c1c(O)c(C2=NN(C)C(=O)O2)ccc1	8454
+c1c(c(c(cc1C(=O)OC)O)Cl)OC	65
+c1(OC)cc(cc(O)c1)C(=O)C	65
+c1c(OC)c(Br)cc(-c2n(c(cc2C)C(=O)OC)C)c1	819
+CC(C)(C(=O)OC)C(=O)c1c2c(c(OC)cc1)nc(CC)cc2	8455
+COc1cc(cc(OC)c1)C(c2ccc3ccn(C)c3c2)=O	144
+c1c(OC)ccc([N+]([O-])=O)c1F	65
+c1c(c(c2cc(C)n(c2c1)C)F)OC	144
+c1c(F)c(ccc1OC)C#N	65
+c1c(Br)c(OC)c(cc1C(=O)OC)F	65
+c1c(F)c(c(cc1F)OC)[N+]([O-])=O	65
+c1c(c(C)cc(OC)c1F)Br	65
+c1(c([N+]([O-])=O)cc(CC)c(F)c1)OC	65
+C(OC)C1Oc2c(cc(C)cc2C1)[N+]([O-])=O	76
+c1c(cc(C)c(C(=O)OC)c1)Br	272
+c1cc(c(cc1I)C=O)OC	65
+c1(ccc(I)c(c1C)Cl)Br	1297
+c1c(cc(Cl)c(c1)C(C)C(c2c(F)cc3OCC(N(c3c2)C)=O)=O)Br	1566
+c1c(cc(Cl)c(c1)C(C)C(c2cc3N(C(COc3cc2)=O)C)=O)Br	1566
+N1(C(=O)N(c2ccc(cc2F)Br)C=N1)C	2668
+c1c(cc(SC)c(Cl)c1)Br	2210
+c1c(cc(c(F)c1)OC)Br	65
+c1c(cc(c(Nc2c(c3c(cc2C(=O)OC)n(cn3)C)Cl)c1)Cl)Br	1652
+c1c(cc2N(C(COc2c1)=O)C)Br	239
+c1c(cc2C3(CN(C)CC3)CN(c2c1)C(Nc4ncc(Cl)s4)=O)Br	1022
+c1c(cc2n(c3CCCC(=O)c3c2c1)C)Br	144
+c1cc2n(c3c(C(NCC3)=O)c2cc1F)C	144
+COc1cnc(cc1)Br	542
+Clc1cc(N(C)C=O)ccc1F	816
+c1c(cccc1CCC(OC)=O)O	325
+COc1cccc(SC)c1	2210
+c1cc(OC)cc2CCC(Nc12)=O	65
+c1c(ccc2nc(SC)sc12)O	8456
+c1cnc(nc1-c2cn(C)c3ccccc23)Cl	144
+C1c2ccccc2N(C)C(=O)C1	239
+c12CCOC(N(C)c1cccc2)=O	1743
+c12c(cccc1Cl)N(C(C2=O)=O)C	3567
+c1c2ccc(nc2c(c(c1)F)C)OC	766
+c12N(C)CCCc1cccc2	891
+n1(c(SC)nnc1-c2ccc3ccccc3c2)C	4513
+C=1c2c(cccc2)N(C)C(=O)C=1C(=O)OCC	8457
+c12c(ccc(c1F)Br)ccn2C	144
+c1(ccc(cc1OC)F)Br	65
+c1cc(CNc2nc(nc(c2C(=O)OC)Cl)Cl)cc(Cl)c1OC	272
+c1c(cc(Br)c(c1OC)OC)C2c3c(OC(=C2C#N)N)c4cccc(OC)c4cc3	65
+COc1ccc2N(C(CC(CC(OC)=O)c2c1)=O)C	239
+c1cccc2sc3c(OC)cccc3c12	8458
+c1c(OC)c(ccc1C(=O)OC)C#N	65
+c1c(c(ccc1C(=O)C)CC)OC	65
+c1c(c(C(=O)O)c(c(F)c1)C)OC	1297
+c1cc(ccc1)-c2c(c3c(ccc(c3)Br)n2C)C	144
+c1cc(ccc1)-c2c(c3ccccc3n2C)C(C)=O	144
+c1cc(ccc1)-c2cc(c(OC)cc2)I	65
+c1cc(ccc1)-c2noc(c2-c3oc(nn3)-c4cc5ccn(C)c5cc4)C	144
+c1ccccc1C(N(CC(CCOC2OCCCC2)c3cc(Cl)c(Cl)cc3)C)=O	497
+c1cc(ccc1)C(CC=C)(COC)C	76
+C1CCCC1C(c2ccccc2)(C)C(=O)OC	2035
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)NC(COc4c5c(ccc(c5)Cl)on4)COC	76
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC4CC(CCC4NC(=O)OCc5ccccc5)OC	76
+c1cc(ccc1)COCC2CC2(CN(C)S(=O)(=O)c3ccccc3)c4ccccc4	693
+c1ccccc1C2CCc3c(-c4c(C)onc4C)ccc5N(C(=O)N2c35)C	620
+c1cc(ccc1)CC2N(Cc3c(C(=O)N(C2)C)cccc3)S(=O)(=O)c4ccccc4OC	497
+c1ccccc1CN(Cc2ccccc2)CC(OC)CN3CCN(CC3)C(=O)OC(C)(C)C	76
+c1cc(ccc1)COC(=O)N2CC(COC)(CC2)F	76
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3nc(OC4CC(C=C4)OC)c5ccccc5n3	4237
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(OC)=O	325
+c1cc(ccc1)COC(=O)c2c(C)n(C)c3ccc(cc23)OCCCl	144
+c1ccccc1COCC(OC)COCCCCCCCCCCCCC2CCCCC2	76
+c1cc(ccc1)COCC(F)(F)CCCOC	76
+c1cc(ccc1)COc2nc(cc(OC)c2C(=O)OCC)C	65
+c1cc(ccc1)COc2cc3c(c(c2)Cl)cc(C(=O)OCC)n3C	144
+c1cc(ccc1)N=C2NC=CC(=O)N2C	8459
+c1cc(ccc1)Oc2c(C(OC)=O)cc(C(=O)c3ncc(cc3)N(C)c4ccc(cc4)Cl)cc2	4085
+c1ccccc1S(=O)(=O)n2c(cc3c2nccc3Br)C	4518
+c1cc(ccc1)S(c2c3c(cccc3)n(c2)C)=O	144
+c1cc(ccc1Cl)-c2n(C)cc(C(OCC)=O)c2C	819
+c1cc(ccc1-c2n(C)c3c(c2CCC(=O)O)cc(cc3)Cl)Cl	144
+c1ccccc1-c2ccc(cc2)-c3c(F)cc4nc([nH]c4c3)SC	8460
+c1cnccc1-c2c(n(C)c(Br)c2-c3ccc(cc3)F)C(=O)OC	819
+c1cc(ccc1OC)-c2nsc(NC(=O)C3C(C)C3)c2C	65
+c1cc(ccc1OC)-c2nc(SC)nnc2-c3ccc(cc3)OC	2970
+c1cc(ccc1C(N(C)Cc2cccc(c2)OC)=O)-c3cc(ccc3C)-c4nnc(C)o4	497
+c1cc(ccc1-c2c(cc(cc2)N3C(N(CC3)C)=O)C)C(OC)=O	2972
+c1cc(ccc1C(=O)N(OC)C)-c2nnn(C)n2	1694
+c1cc(ccc1-c2c(c3c(cc(N(S(=O)(=O)C)C)c(c3)Br)o2)C(=O)NC)F	418
+c1cc(ccc1-n2ncc3cc(I)ccc23)C(OC)=O	272
+c1cc(ccc1-c2c(cn(C)c2C(OCC)=O)C#N)Br	819
+c1cc(ccc1Br)C(C)C#N	4517
+c1cc(ccc1Br)C(C(=O)O)C	643
+c1cc(ccc1Br)CC(c2ncc(CC(C)(C)CC)n2C)N(C)C(=O)OCc3ccccc3	4239
+c1cc(ccc1C(c2cc3c(cc2)N(C)C(C=C3c4cccc(OC)c4)=O)=O)Cl	4509
+c1cc(ccc1C(=O)N(CC2CC2)C)-c3cc(ccc3C)-c4nnc(C)o4	497
+c1cc(ccc1N(C)CCOC)C(OCC)=O	76
+c1cc(ccc1C(c2cc(C)c(c(C)c2)OC)=O)[N+](=O)[O-]	65
+c1cc(ccc1C)C2=C(C(CCC)C(OC)=O)C(N(C)C(N3CCCCC3)=N2)=O	8461
+O1CCOC12CCC(CC2)(OC)c3ccc(cc3)F	76
+c1cc(ccc1NC(Nc2ccccc2Oc3n(-c4ccccc4Cl)nc(c3)C)=O)C5CCN(CC5)C	1022
+c1cc(ccc1Cl)C2CN(C(=O)c3sc(Br)cc23)C	497
+c1cc(ccc1[N+](=O)[O-])-c2[nH]c(SC)nc2	8462
+c1cc(ccc1)CC2COC(=O)N2C(=O)C(c3ccc(cc3)OC)C	2528
+c1cc(ccc1CC(OC)=O)-c2nccnc2Cl	325
+c1cc(ccc1Br)C(C(=O)OCC)C	643
+c1cc(ccc1CNC(c2cnc3n(ncc3c2)C)=O)S(=O)(=O)c4ccccc4	2969
+c1cc(ccc1CCCOC)Cl	76
+c1cc(ccc1Cl)Nc2ncnc3cc(OC)c(c(CC=C)c23)OC	65
+c1cc(ccc1F)-c2ccc(cc2)C(N(C)C3CCc4cc(ccc4C3)C#N)=O	497
+c1cc(ccc1Cl)N(C(c2c(-c3ccc(cc3)F)nc4ncccn24)=O)C	816
+c1cc(ccc1F)-c2c(c3c4CC(C)Oc4c(cc3o2)N(S(=O)(=O)C)C)C(NC)=O	418
+c1cc(ccc1F)C(=O)C2CCN(CC2)c3ccc(nn3)C(N(C)CCC4CC4)=O	497
+c1cc(ccc1F)Cc2ccccc2OC	65
+c1cc(ccc1F)S(=O)(=O)N2CCN(CC2C(=O)OCC)C	1022
+CC(C)(OC)c1ccc(cc1)N2C(CC)=NC(CCC)=C(Cc3ccc(cc3)-c4ccccc4C#N)C2=O	76
+C1CN(CCC1(OC)CC2CCCCC2)c3ccc(cc3)C(=O)OCC	76
+C1CN(CCC1(OC)Cc2c(F)cccc2)c3ccc(cc3)C(OCC)=O	76
+c1cc(ccc1[N+]([O-])=O)N(C)C(=O)CC	239
+c1cc(ccc1N(CC#N)C)F	891
+c1cc(ccc1C2C(C(OCC)=O)N(C(=O)C2)C)OC	65
+c1cc(ccc1OC)-c2ccc3c(ccc(OC)c3C)c2	8463
+c1cc(ccc1CN2C(=O)C(N(C2=O)C)CC(OC)=O)OC	1949
+c1cc(ccc1Br)OCC(OC)CN(C)C	76
+CC(C)(C(OCC)=O)Oc1ccc(cc1)OCCC2N(C(N(Cc3cc(C)c(C)cc3)C2)=O)C	2972
+c1cc(ccc1-n2c3ccccc3cc2CCOC)OCc4ccccc4	76
+c1cc(ccc1Oc2cc(C(=O)OC)cc(OC3C(=O)N(C)CC3)c2)-c4oc(C)nn4	782
+c1cc(ccc1OC)S(=O)(=O)N(c2c(C(OC)=O)cccc2C)C	418
+c1cc(ccc1Br)S(=O)(=O)N(c2cccc(OC)c2)C	418
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(C)c5cc(OCc6ccccc6)c(OC)cc45)C	144
+c1cc(ccc1Sc2ccc([N+](=O)[O-])cn2)CCC(=O)OC	325
+c1cc(ccc1[N+]([O-])=O)C(COC)CC	76
+c1cc(ccc1N2CCCN(C2=O)C)[N+]([O-])=O	2972
+c1c(Br)cc2CCC(N(c2c1)C)=O	239
+c1c(Br)cc2CC(C)N(C)c2c1	891
+S(C=1N(C(=O)c2c(ccc(c2)Br)N=1)C)C	8464
+N1(C)C(=O)c2n(c(cc2Nc3ccccc13)C)C	816
+c1cc2cnc(CCCOC)n2cc1Br	76
+O=C1c2ccccc2C(=O)N1c3n(nc(-c4ccccc4)c3)C	1211
+c1cc2c(-c3c(cccc3)C2(COC)CO)cc1	76
+c1c2c(ccc1)c3c(cccc3)n2C	8465
+c1(C=2C(=O)N(C)C(C=2Br)=O)cn(C)c3ccccc13	144
+c1cc(ccc1)-c2n(C)c3c(cc(Br)cc3)c2CCCCC	144
+c1ccccc1-c2c(c3c(Br)cccc3n2C)C	144
+c1ccccc1-c2c3c(N=C(N(C)C3=O)SC)oc2Br	8466
+c1ccccc1-c2ccc(cc2)-c3cc(cc4ccn(C)c34)[N+](=O)[O-]	144
+c1ccccc1C(=O)c2c(N)c(ccc2)CC(OC)=O	325
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(OC)CSCCCCCCCCCCCCCCCC	76
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(CSc4ccccc4OC)OC	76
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(OC)COCc4ccccc4	76
+c1ccccc1C(OC)c2cc(SC)ncn2	76
+c1cc(ccc1)-c2nc(SC)sc2C	8467
+c1ccccc1C=Cc2cc(ccn2)-c3[nH]c4c(c(nc(SC)n4)O)c3	8468
+c1ccccc1COC(=O)NC(Cc2ccccc2)C(=O)OC	325
+c1cc(ccc1)C(C)C(OCC)=O	643
+c1ccccc1CCCN2c3c(N(C(=O)C(F)(F)C2)C)cnc(Cl)n3	998
+c1ccccc1CN(C2CC3C(CN(C)C(=O)C3)C2)C	782
+c1ccccc1CN(Cc2ccccc2)CC3CCN(CC3)CC(C)(C)OC	76
+c1ccccc1CN(Cc2ccccc2)c3c(COC)c([N+](=O)[O-])ccc3	76
+c1cc(ccc1)CN(C)CC2CNC(=O)c3c4c(ccc3)[nH]cc24	1022
+c1ccccc1COC(=O)N2CCC34CCCCC3C2Cc5c4cc(c(I)c5)OC	65
+c1ccccc1COC(N(C)CC(=O)N(C)c2ccc(cc2)COC)=O	76
+c1ccccc1COC(N2CCC34c5cc(OC)c(cc5CC2C3CCCC4)[N+]([O-])=O)=O	65
+c1ccccc1COC(NC(C(OCC)=O)CCC(NC(Cc2c[nH]c3c2cccc3)C(=O)OC)=O)=O	325
+c1ccccc1COC(NC(Cn2c3cc(OC)ccc3cn2)C)=O	65
+c1ccccc1COC(=O)Nc2cc(I)cnc2OC	766
+c1ccccc1COc2ccc(nc2C(OC)=O)OC	766
+c1ccccc1COC2=CC(=CN(C2=O)C)Br	8469
+c1cc(ccc1)COc2cc(C(=O)OC)cc(OC)c2Br	65
+c1ccccc1COc2cc(c3c(Oc4c(cccc4)C3=O)c2)OC	65
+c1ccccc1COc2cc(C(OC)=O)c(OC)cc2	65
+c1ccccc1COc2c(OC)c(cc(F)c2)CO	65
+c1ccccc1COc2cccc(C3(CCOC(C3)C)OC)c2	76
+c1ccccc1COc2ccc3c(n(cc3C(C(OC)=O)=O)C)c2	144
+c1ccccc1COc2ccc(C#N)c(OC)c2	65
+c1ccccc1COc2ccc(Cl)c3cc(n(C)c23)C(=O)OCC	144
+c1ccccc1COc2cc3ccn(C)c3cc2	144
+c1ccccc1COc2nc(C)cc(C)c2CN3CCc4c(cc(C(OC)CC)c(Cl)c4C3=O)Cl	76
+c1ccccc1Cc2c3c(n(C)c2C)ccc(Br)c3	144
+c1cc(ccc1)Cc2c(OC)ccc(Br)c2	65
+c1ccccc1Cn2c3c(C(=CN(C3=O)C)Br)cc2C(=O)OCC	4516
+c1ccccc1Oc2cccc3c(OC)c(nc(c23)Br)C(=O)OC	542
+O=S(=O)(c1ccccc1)n2c(C)cc3c2ncc(c3)OC	4518
+c1nc(Cl)nn1-c2ccc([N+]([O-])=O)cc2OC	65
+c1nc(c2CN(C(=O)c3cc(ccc3-n12)F)C)C(=O)OCC	497
+c1nc(ncc1)N(C)c2ccc(cc2)I	8470
+c1nc(ncc1Br)COC	76
+c1nc(ncc1COC)Cl	76
+n1(ncc2c1cncc2Br)CCOC	76
+n1c(c(ccc1OC)N(C(=O)c2cccnc2Cl)C)Br	8471
+c1c(c(nc(C)c1)Br)OC	542
+c1c(c(nc(c1)CO)Br)OC	542
+n1c(OC)ccc(c1)C=2C(=O)N(C(=NC=2c3cc(F)ccc3)N)C	8472
+c1c2ncccc2ccc1OC	65
+c1n(C)cc(n1)[N+](=O)[O-]	2968
+c1cc(cc(OC)c1F)C#Cc2cc(C#N)cnc2	65
+n1cc(OC)ccc1F	542
+c1ncncc1N(C)c2cc(cc(Cl)c2)Br	8473
+c1nc(ncc1Cc2cnc(SC)nc2O)C	4519
+c1nc(ncc1Cc2cnc(SC)nc2O)OC	4519
+o1c(-c2csc(c2)Cl)cc(C3N(C(SC)=NC)C4CC4C3)n1	1956
+o1c2c(C(N(C=C2Br)C)=O)cc1C=O	8474
+o1c2cccc(OC)c2c(C)c1C(=O)OCC	65
+c12c(c(C(=O)C)c[nH]1)ccc3OCCc23	8475
+c1cc(ccc1C#N)-c2scc(-c3ccccc3)n2	8476
+c1cc(ccc1)CC(CN(C)C)N	15
+FC(F)(F)c1cc(ccc1CN2CCC(CC2)C=C3SC(N=C3NC(C(=O)N(C)C)CO)=O)C(F)(F)F	8477
+CN(C)C(C(CO)N)=O	334
+CN(C)CC1(CCCCC1)c2cc(c(Cl)cc2)Cl	15
+CN(C)C(C1C(=O)Nc2cc(N)ccc2C1)=O	890
+CN(C)C(C=1C2N(C(=O)N(C(COC)C=1)C2)OCC=C)=O	4236
+CN(C)CCCc1cc(c[nH]1)CCCC	15
+CN(C)C(=O)COc1ccc2c(n(nc2)-c3c4CS(=O)Cc4nc(n3)-c5sc(cc5)Cl)c1	441
+CN(C)C(=O)COc1ccc2c(n(-c3nc(-c4sc(cc4)Cl)nc5c3CSC5)nc2)c1	2973
+CN(C)C(=O)Cn1ncc2cc(ccc12)Oc3ccc(cc3CN)F	107
+CN(C)C(N1c2c(c(Nc3ncc(C#N)s3)ncc2)CC1)=O	1178
+CN(C)Cc1[nH]c2c(cc(Br)cc2)c1	729
+c1cc(ccc1NC(Nc2ccc(C(N(C)C)=O)c(c2)F)=O)Br	124
+CN(C)Cc1cccc(c1)NS(=O)(=O)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3	162
+c1cc(ccc1O)-c2cc(C(N(C)C)=O)cc(C#CCCCCCc3c(c(OCCCC(=O)O)ccc3)CCC(O)=O)c2	11
+CN(C)Cc1cc(N)ccc1Br	162
+CN(C)C(=O)c1oc2c(c1)cccc2N3CCNCC3	25
+CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3c(s2)-c4c(cc(cc4)C(O)=O)OCC3)c(Cl)c1	1
+CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3CCOc4cc(C(OC)=O)ccc4-c3s2)c(Cl)c1	833
+CN(C)C(c1cnc(cc1)N)=O	1341
+CN(C)C(c1c2c(n(-c3nc(N)ncc3)n1)cc(cc2)Br)=O	2973
+C1CN(CCN1c2cccc3c2oc(c3)C(N(C)C)=O)CCc4nc(ccc4)OC	236
+CN(C)C(C(Oc1c2c(ccc1)ncnc2Nc3ccc4n(Cc5ncccc5)ncc4c3)C)=O	2212
+CN(C)C(=O)C(N=C1NC(SC1)=O)CO	8478
+c1cc(ccc1NC(=O)C)C(C(CC)N(C)C)O	74
+CN(C)C(CN)(C)CCCC	51
+CN(C)C(C1Cc2c(NC1)cc(cc2)N)=O	8479
+CN(C)CC1Cc2ccccc2NC1	8480
+c1cc(ccc1C2C(C2)CN(C)C)Br	15
+CN(C)CC1Cc2c(cc(cc2)N)NC1	15
+c1cc(ccc1Cl)-c2n(c(C(=O)CC)cc2C)CC	8481
+CN(C)C(=O)Cn1ncc2c1ccc(Oc3c(cc(cc3)F)C#N)c2	8482
+c1(nc(nc(C)c1C(NC(CNC(c2cccs2)=O)C(OCC(N(C)C)=O)=O)=O)NCCCc3cccc4c3cn[nH]4)C	3350
+CN(C)C(C)(CCCC)CNC(=O)c1ccc(c(Cl)c1)Cl	93
+C1CN(CCN1CC(N(C)C)=O)c2cc(OC)c(Nc3ncc(c(-c4c5n(nc4)cccc5)n3)Cl)cc2[N+](=O)[O-]	34
+CN(C)C(CN1CCc2cc(N)ccc2CC1)=O	0
+CN(C)C(CN1CCc2ccc(cc2CC1)Nc3ncc(c(Nc4c(F)cccc4C(=O)NCC)n3)Cl)=O	55
+c1cc(ccc1F)CN(C(=O)CC(C(=O)OC)=O)OCC(=O)N(C)C	2935
+O=S(=O)(C)c1cn(c2nc(-c3cc(c(cc3)OC)F)nc(C)c12)-c4cccc(OCC(=O)N(C)C)c4	4520
+CN(C)C(COc1ccc2CCN(c3c4c(CS(=O)C4)nc(-c5cccnc5)n3)c2c1)=O	4521
+CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2	15
+ClC(Cl)(Cl)c1nc(OC(N(C)C)=O)cc(CCl)n1	8483
+CN(C)C(=O)NC1Cc2c(n(Cc3nc(F)ccc3)c4ccc(cc24)C#N)C1	2675
+CN(C)C(=O)Oc1cc(F)ccc1C#N	2047
+c1cc(ccc1Br)N2CCC(CC2)OC(=O)N(C)C	2469
+CN(C)C(N(CCO)CCCc1ccc(cc1)C#N)=O	776
+CN(C)C(N(CCO)CCOc1ccc(cc1)C#N)=O	776
+c12c(cccc1)C(=O)N(C2=O)CCCCc3ccc(cc3)OC(=S)N(C)C	8484
+c1c(F)c(c(cc1OCC)F)Cn2c3CCCc3c(-c4nc(c(OC)cn4)N)n2	8485
+C1CC1c2n(nc(c2C)-c3nc(c(OC)cn3)N(C)C)Cc4ccc(cc4)OC	8486
+CN(C)C=CC(=O)c1c(C)n(c(C#N)c1C)C	8487
+c1ccccc1CN2CC3CC(C(=CN(C)C)C3=O)C2	8488
+c1cc(ccc1C(=O)N2CCC(C(c3c2cccc3)=O)=CN(C)C)[N+]([O-])=O	4522
+CN(C)C=C(COC)C(=O)c1c[nH]c(C(=O)NC(CO)c2ccccc2)c1	4522
+CN(C)C(N(CC=O)CCCc1ccc(cc1)C#N)=O	24
+c1cc(ccc1C#N)OCCN(C(=O)N(C)C)CC=O	24
+c1cc(ccc1-c2nc(sc2)N(C)C)[N+](=O)[O-]	354
+CN(C)C(=O)N1c2ccnc(N)c2CC1	2664
+CN(C)C=CC(=O)c1ccnc(Cl)c1	8489
+CN(C)C=Nc1c(C#N)c(Nc2cc(ccc2)C)n[nH]1	8490
+CN(C)C(c1c(nc2n(C(C)C)nc(c2c1NC3CCOCC3)C)-c4cccc(OCC5OC5)c4)=O	72
+CN(C)C(c1c(-c2cccc(OCC(CNC)O)c2)nc3n(C(C)C)nc(c3c1NC4CCOCC4)C)=O	122
+C[Si](C)(C)C#Cc1cc2c(cc1)c(C(N(C)C)=O)nn2-c3ccnc(N)n3	8491
+CN(C)C(=O)c1cc(cc(c1)C#CCCCCCc2c(c(OCCCC(=O)O)ccc2)CCC(O)=O)Br	121
+CN(C)C(=O)c1ccc(N=[N+]=[N-])nc1	8492
+C[Si](C)(C)CCOCn1cc(-c2ccncc2)c3c1nc(nc3NC4CCOCC4)Nc5c(C)cc(cc5)C(=O)N(C)C	55
+CN(C)C(=O)c1c(cc(N)cc1)F	0
+n1cccnc1C(O)(C#Cc2ccc3c(C(N(C)C)=O)nn(-c4ccnc(N)n4)c3c2)C	8493
+CN(C)C(c1oc2c(F)c(c(c(C#N)c2n1)C)-c3nc(sc3)C)=O	963
+CN(C)C(c1oc2c(N3CCC(N(C)C)C3)c(-c4nc(C)sc4)c(C)c(C#N)c2n1)=O	8494
+CN(C)C(c1oc2c(N3CCN(CC3)CCc4cc5c(cc4)N(CC5)C(C)=O)cc(cc2c1)F)=O	28
+CN(C)C1(CN(CC1)c2ccc(cc2F)N3C=Cc4cc(OCC5OCCC5)ccc4C3=O)C	79
+C1CC(CCC1CC(OCC)=O)(N(C)C)c2cccnc2	774
+c1(C)cc(cc(C)c1S(=O)(=O)N(CCOCC(N(CCC2CCC(CC2)(N(C)C)c3cnccc3)C)=O)C)OC	10
+CN(C)C1(CCNCC1)c2cccnc2	25
+CN(C)C1CCNCC1C	215
+CN(C)C1CNC(C(N)=O)C1	327
+c1ccccc1C(c2ccccc2)=Nc3c(c(C=4CCC(CC=4)N(C)C)ccc3)F	2017
+CN(C)C1CCC(c2cc(F)cc(N)c2)=CC1	1599
+CN(C)C1CCN(C1)C(=O)Nc2nccc(Oc3cnc(cc3)N)c2	161
+CN(C)C1CCN(CC1)C(CCc2n(CC(O)=O)ccn2)=O	3
+CN(C)C1CN(CC1)c2c(cc(cn2)N3C(=O)C=C(OCc4ccc(cn4)Cl)C=C3)C	3868
+CN(C)C1CCN(CC1)C(c2ccc(cc2)-c3nc(C(=O)Nc4ccccc4)c(nc3)N)=O	30
+c1cc(ccc1Nc2nc3-n4c(N(C(=O)c3cn2)c5c(cccc5Cl)Cl)ncc4)C(=O)N6CCC(CC6)N(C)C	30
+CN(C)C1CCN(CC1)C(CCc2nccn2CC(OCC)=O)=O	10
+CN(C)C1CCN(C1)C(=O)Nc2nccc(Oc3cnc([N+](=O)[O-])cc3)c2	2077
+CN(C)C1CN(C(c2c([nH]c(C)c2)C=C3c4c(cccc4NC3=O)-c5cccc(Cl)c5)=O)CC1	292
+CN(C)C1CCN(c2cc(OC)c(cc2N)Nc3nc(ccn3)-c4c5n(nc4)cccc5)C1	0
+CN(C)C1CCN(c2cc(c(Nc3nccc(-c4c5ccccc5n(c4)C)n3)cc2N)OC)C1	0
+FC(F)(F)c1c(CN2CC(N(C)C)CC2)ccc(C(=O)OC)c1	131
+CN(C)C1CN(CC1)C(=O)c2c(C=O)[nH]c(C)c2	211
+CN(C)C1CN(CC1)CCc2oc3ccc(cc3c2)-c4n5c(ccn5)nc6c4CCC6	123
+CN(C)C1CN(c2c([N+](=O)[O-])cc(c(OC)c2)Nc3nccc(-c4c5ccccc5n(c4)C)n3)CC1	34
+CN(C)C1CCN(c2cccc(Br)c2)C1	560
+CN(C)C1CCN(Cc2ccc(cc2)-c3sc4c(nccc4Oc5ccc([N+]([O-])=O)cc5F)c3)C1	171
+CN(C)C1CCN(C(c2c3ncc(-c4ccc(cc4)NS(=O)(=O)c5cccc(c5Cl)Cl)c(n3nc2)N)=O)C1	2778
+c1cc(ccc1OCCCN2CCC(N(C)C)C2)-c3ccc(cc3C)C#N	53
+CN(C)C1CN(CC1)c2cc(c(Nc3nccc(-c4c5n(nc4)cccc5)n3)cc2[N+]([O-])=O)OC	34
+c1cc(ccc1CC2=C(CCC)N=C(N(C)C)N(c3ccc4OC(C)(C)Cc4c3)C2=O)-c5c(C6=NOC(=O)N6)cccc5	1671
+c1cc(ccc1Nc2nc(-c3ccccc3)c(cn2)C#N)OCCO	8495
+C1COCCN1S(=O)(=O)c2cc(ccc2C)Nc3nc(-c4c(C)nc(s4)NC)c(cn3)C#N	8496
+c1ccccc1-n2c(c(cn2)C(=O)OC)CC	8497
+c1(c(CC)nc(O)c(c1)C#N)C(=O)OCC	2908
+n1cc(cnc1)-n2c(c(cn2)C(=O)OCC)CC	8498
+c1ccccc1CNC(c2ccc(N3C(=O)C(C=N3)c4ccc(C#N)cc4OC)nc2)=O	2372
+Cc1c(cc(C#N)c(O)n1)C(=O)OCC	2908
+c1ccccc1-c2ncc(c(-c3c(Cl)cccc3)n2)C(OCC)=O	8499
+n1cc(-c2ccccc2OC)c[nH]1	8500
+c1ccccc1Nc2ncc(c(-c3c[nH]c(C(NC(c4ccccc4)CO)=O)c3)n2)COC	8501
+c1cc(ccc1-c2cc(c(O)nc2-c3ccccc3Cl)C#N)Cl	2213
+Cc1c(-c2cn3c(ncc3)cc2)cc(C#N)c(O)n1	8502
+N1(c2cc(ncn2)N3CCOCCC3)C(C(n4cc(C#N)nn4)=CN1)=O	4050
+c1c2C(CCCc2n(C)n1)=O	3481
+n1c(sc2ccccc12)N3N=C(c4cc(I)ccc4)C(=CN)C3=O	2876
+N#Cc1cc-2c(nc1O)CCc3ccccc-23	8503
+n1c(sc2ccccc12)N3N=C(c4ccc(C)c(Br)c4)C(=CN)C3=O	8504
+n1c(Nc2cccc(c2)CCO)ncc3CC(c4ccccc4-c13)c5ccccc5F	8505
+n1c-2c(CCCc3[nH]cc(C(=O)OCC)c-23)cnc1	8506
+CN(C)c1ccc(cc1[N+](=O)[O-])Nc2nccc(n2)-c3c(n(C)c(C#N)c3C)C	8507
+CC(C)n1cc(-c2nc(N)ncc2)c(I)n1	2620
+c1(-c2cc(C)ccc2)ccnn1-c3nccc(C#N)c3	2974
+c1(-c2ccnc3n2ncc3C(=O)c4sccc4)cc(ccc1)C(=O)OC	2214
+c1cc(ccc1-c2ccnc(N)n2)C(NCc3cc(ccc3)OC)=O	4523
+c1cc(ccc1C(OC)=O)-c2cc[nH]n2	927
+c1([nH]ncc1)-c2cc(ccc2)C#N	927
+c1(-c2ccnc3n2ncc3C(=O)c4sccc4)cc([N+]([O-])=O)ccc1	2214
+c1(cccc(c1)C(=O)OCC)Nc2nc(ccn2)-c3ccnc(c3)Cl	4524
+c1(c2cc(C#N)ccc2ncc1)-c3[nH]ncc3	927
+FC(F)(F)c1cccc(c1)Nc2nccc(n2)-c3ccncc3	4524
+c1cnccc1-c2cc[nH]n2	927
+c1ncncc1-c2nc(ncc2)Nc3c(C)ccc([N+](=O)[O-])c3	8508
+c1c(cc2c(c(sc2c1)-c3ccnc(n3)N)C)Br	8509
+c1(n[nH]cc1)-c2cc(Br)cs2	8510
+FC(F)Oc1c(cccc1)N2N=C(c3ccnn3-c4ccccc4)C(=O)C(OC)=C2	4525
+Clc1cc2c(c(sc2cc1)-c3ccnc(n3)N)CC	8511
+c1cc(-c2oncc2)c3c(C4=CC(NCC(=O)N4CC3)=O)c1	8512
+c1([nH]ncc1)-c2ccc(Cl)c(c2)CNC(C)=O	927
+n1ccc(-c2cnccc2)nc1Nc3cc([N+]([O-])=O)c(C)cc3	8513
+C1(c2c(NC(=O)N1)cc[nH]2)=O	8514
+O(c1c2c(cc[nH]2)c(Br)cn1)C	2215
+c1(cccc(C)c1-c2cc3c(cn2)[nH]cc3)C	2215
+c12c(cc(cc1Br)F)[nH]cc2	4526
+c12cc[nH]c1cncc2Br	2215
+c12[nH]ccc1cc(NC(=O)C)nc2	2215
+c1(-c2cc(ccc2)Br)[nH]cnn1	8515
+CN(C)C=NC1=NC(C=CN(C)C)=C([N+]([O-])=O)C(=O)N1Cc2ccccc2	3557
+CN(C)C=NS(=O)(=O)c1cc(C(=O)c2c(Cl)c(Cl)c(c(CC=C)c2)O)ccc1Cl	423
+CN(C)C=NS(=O)(=O)c1c(Cl)ccc(C(c2cc3c(OC(CO)C3)c(Cl)c2Cl)=O)c1	2730
+CN(C)C=Nc1c(c(-c2ccc(cc2)N)[nH]n1)C#N	0
+c1cc(ccc1)CNc2c3c(Nc4cccc(C)c4)[nH]nc3ncn2	8516
+c1(cc(ccc1)Nc2c3cc([N+]([O-])=O)ccc3ncn2)Br	4527
+c1ccccc1CNC(=O)c2ccc(c(c2)Nc3c4c(nc(C)cc4)ncn3)Sc5ccc(cc5)O	8517
+c1c(c(cc(OC)c1Br)Nc2ncnc3cc(c(cc23)OC)OCCOC)OC	4527
+CN(C)Cc1nc2ccc(cc2cc1)N3C(=O)c4c(cc(-c5ccc(cc5)Cl)s4)N=C3	3949
+CN(C)C=NC1=NC(C)=C([N+]([O-])=O)C(N1Cc2ccccc2)=O	8518
+c1cc(ccc1NC(=O)C)Sc2ccc(C)cc2Nc3ncnc4c3sc(n4)SC	8519
+CN(C)CC1CC1c2cc3[nH]cc(C=O)c3cc2	287
+CN(C)CCCc1c2CCCCc2[nH]c1C=O	413
+CN(C)CCN1CCc2[nH]c(c(C)c2C1=O)C=O	413
+CN(C)Cc1[nH]c2ccc(cc2c1)C=O	146
+CN(C)S(=O)(=O)n1c(C=O)nc2CCCCc12	1378
+CN(C)c1c(cccc1C)C=O	146
+Clc1ccc2c(Sc3cc(ccc3)C(=O)OC)c([nH]c2c1)C	833
+C(c1c(OC)cc(C(=O)OC)c(c1)F)CC	2975
+c1cc(ccc1)-c2oc(nc2-c3ccccc3)C=4C(Cc5cc(C(OC)=O)ccc5)CCC=4	2975
+C1CN(CCC1)CCOc2ccc(cc2)C3c4c5ccc(OC)cc5ccc4-c6ccc(C(OC)=O)cc6O3	2975
+c1ccc(cc1C(=O)OC)SCC(=O)C	833
+c1ccc2cc(sc2c1)-c3cc(C(=O)OC)cc4c[nH]nc34	833
+C(O)c1ccc(cc1C)C(=O)OC	833
+c1cc(ccc1C(OC)=O)-c2nnc(n2C)OC(C)c3nc(on3)-c4cccc(c4)Cl	8520
+c1cc(ccc1C(OC)=O)C(NC(=O)c2cc(F)cnc2Oc3ccc(cc3)F)C	833
+O=Cc1c(C)cc(OC)c(CCCC)c1C	151
+c1c(c(F)c(c(c1)C=O)Cl)OC	151
+O=Cc1c(I)cc(OC)cc1	151
+O=Cc1cc2cccc(OC)c2nc1Cl	1031
+C[Si](C)(C)c1c(cc(C=O)c(F)c1F)Br	151
+C[Si](C)(C)c1c(c(C=O)c(cc1F)Cl)F	151
+C[Si](C)(C)c1cc(ccc1)C=O	146
+CN(C)C=Cc1nc(O)ccc1C(C)=O	1693
+c1(c2c(C)ccc([N+]([O-])=O)c2[nH]c1)C=O	287
+Cc1c2cc(C=O)c(F)cc2[nH]n1	146
+Cc1c2cc(C=O)ccc2[nH]n1	146
+c1(C=O)c2c(-c3ccc(C)cc3C)ccnc2[nH]c1	8521
+Cc1nc(c2ccc(OC)cc2c1C=O)Cl	687
+Cc1nc(ccc1C=O)Cl	687
+ClC(Cl)=C1C2c3c(cccc3C1CC2)C=O	146
+c12c(C(=O)N(C1=O)c3cc4CC(=O)CCc4cc3)cccc2	8522
+c1cc(ccc1S(=O)(=O)N2CCC(Cl)=C(C2)C=O)C	2657
+Clc1c(Br)cc(C=O)s1	968
+O=Cc1c(F)c(c(Cl)cc1)C(=O)OC	151
+Clc1cc(Br)cc(Oc2c(C=O)c(F)ccc2Cl)c1	151
+O=Cc1c(c(NC(C)=O)ccc1Cl)F	151
+O=Cc1c(c(ccc1Cl)Br)F	151
+Clc1ccc2c(c1)[nH]c(c2C=O)C(=O)OCC	287
+Clc1ccc2c([nH]cc2C=O)c1	287
+Clc1cccc(c1)-c2nn3c(c2C=O)ccnc3	2216
+O=Cc1c(Br)cccc1Cl	151
+c1cccc2n(C)c(c(C)c12)C=O	4528
+FC(F)(F)C(C)(C)C(N)=O	2789
+FC(F)(F)C=1N(C(N(C(C=1)=O)c2cc3c(cc2)snc3-c4cc(C)c(OC)cc4)=O)C	8523
+FC(F)(F)c1c(C=CN(C)C)c([N+]([O-])=O)ccc1	1744
+FC(F)(F)c1c(c(C#N)ccc1)N	1572
+FC(F)(F)c1c(F)cc2n(cc(C=O)c2c1)C	287
+FC(F)(F)c1cc(ccc1C#N)N2C(N(C3(CCC3)C2=O)c4ccc(cc4)C)=S	8524
+FC(F)(F)c1c(ccc(S(=O)(=O)N(COC)c2cc(C)cnc2C=O)c1)Cl	4529
+FC(F)(F)c1c(ccc(S(=O)(=O)N(c2c(ncc(Cl)c2)C=O)COC)c1)Cl	4529
+FC(F)(F)c1cc(cc(C#N)c1)N(C)C	1572
+FC(F)(F)c1c(C=O)ccc(OCc2ccccc2)c1	146
+FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)Oc3c4n(ccc4ncn3)C)c1	8525
+FC(F)(F)c1cc(C=O)c(c(c1)Br)F	151
+FC(F)(F)c1cc(C=O)c(OCOC)cc1	151
+FC(F)(F)c1cc(OCOCC)c(cc1)C=O	151
+C[Si](C)(C)CCOCn1cc(nc1C=O)C(F)(F)F	1378
+FC(F)Oc1ncc(cc1)C=O	687
+FC(F)c1c(C=O)c(C)n(n1)C2OCCCC2	8526
+c1c(CCO)c(F)c(C=O)cc1	151
+c1c(F)c(c(cc1)F)-n2cc(C=O)c(n2)C	4530
+CN(C)C=NS(=O)(=O)c1ccc(cc1)-c2c(sc(c2C)N3CCOCC3)C(=O)N(OC)C	4531
+c1cc(ccc1S(=O)(=O)N=CN(C)C)-c2cc(-c3ccc(cc3)Cl)sc2C(=O)N(C)OC	4531
+n1c(NC(NCC)=O)cc(Br)c(c1)-c2cncc(c2)C=3OC(NN=3)=O	8527
+O=Cc1cc(Cl)c(N)cc1OC	146
+O=Cc1cnn2c1c(cc(c2)Br)OC	2216
+O1C(Oc2ccc(c(OC)c2C=O)OC)CCCC1	151
+O=Cc1cc2OCOc2c(Cl)c1	4532
+O=Cc1cc2OCOc2c(F)c1	4532
+O=S(=O)(Nc1c(F)c(c(cc1)F)C=O)CCC	151
+O=S1(=O)c2c(C(=O)c3cc(ccc13)F)ccc(C(N)=O)c2	1602
+O=Cc1ccc(c(C)c1O)O	151
+c1(cc(C#N)c(cc1)OC)C#N	8528
+O=Cc1cc(Br)cc(OCOC)c1	146
+O=Cc1cnc(c2cccc(C)c12)OC	687
+CN(C)C=Cc1cc(NC(C)=O)ncc1[N+](=O)[O-]	1744
+CN(C)C=Cc1c([N+](=O)[O-])cnc(c1)-c2c(C)cccc2C	1744
+O=Cc1c(ccc(C=2CCC(CC=2)CCC)c1F)Br	151
+Clc1ccnc(Br)c1C=O	1031
+c1c(c(C=O)c(c(F)c1)F)OC	151
+c1(cc(cc(F)c1C=O)N)F	151
+O=Cc1c(F)nc(cc1)NCc2c(Cl)cccc2	687
+C(c1c(O)c(ccc1O)C=O)CC	151
+c1(C)c(c(c(c(OC)c1C=O)C)C)OC	146
+O=Cc1[nH]cc(C)c1C	413
+O=Cc1cc2c(nccc2)cc1[N+]([O-])=O	8529
+CN(C)C=Cc1c(cncc1Br)[N+](=O)[O-]	1744
+O=Cc1cc(c(cc1C)CC)C(=O)O	1669
+CN(C)C=Cc1c(cc(F)cc1Br)[N+]([O-])=O	1744
+c1cccc(C=2C(c3c(cc(O)cc3)OC=2)=O)c1OC	8530
+c1(c2c(ccn2C)cc(C=O)c1Cl)F	146
+c1c(C=O)cc(OC)c(OC)n1	687
+c1(cc(C(CC)Nc2cc(c(C)cc2)C=O)ccc1Cl)C	146
+c1(C)cc(cc(C)c1NC(=O)OCC)C=O	146
+c1c(F)c(c(cc1C#N)F)C=O	151
+c1([N+]([O-])=O)ccc(c(F)c1)C(=O)N	1602
+COc1c(F)c(ccc1F)C(=O)N	1602
+c1(cccc(F)c1-c2nc3c([nH]cc3)cc2)F	8531
+c1(C=O)ccc(c(CC)c1)OC	151
+c1(c2c(c(c(F)cc2[nH]c1)Br)F)C=O	287
+c12c(cc(c(c1)O)C(=O)O)cc(C=O)cc2	146
+c12c(cccc1)C(=O)N(C2=O)CCSCc3oc(C=O)cc3	3421
+c1cc2c(cc1)c(c3ccccc3c2Br)C=O	146
+O=Cc1c(n(c2c1cc(nc2N3Cc4c(cccc4)CC3)C#N)CC=C)C	287
+O=Cc1c2cc(Br)c(Cl)cc2[nH]c1	287
+O=Cc1c2cc(OC)ccc2[nH]c1	287
+c12c(ccc([N+]([O-])=O)c1)n(cc2)N	8532
+c12ccc(C=O)cc1c3ccccc3n2C	146
+O=Cc1cc2c(n1C)c(C)ccc2	4528
+C1C(c2c(Cl)cccc2)C3C(C(=O)NC3=O)c4c1n(c(c4)C=O)CCCOC	413
+CCn1c2c(c(Cl)ncc2)nc1C=O	8533
+O=Cc1c(c(Br)cnc1)C	687
+O=Cc1cc(c(Br)cc1F)F	146
+O=Cc1c(F)cc(C)cc1Br	151
+O=Cc1c2N(C)C(Cc2cc(c1)Br)C	151
+O=Cc1cc(Br)cc2CCCN(CCCCC(OCC)=O)c12	151
+c1c(ccc(Cl)c1Br)C(=O)N	8534
+c1c(C)oc(c1)CNc2ccc3c(C=O)cccc3n2	3930
+c1(c(C=O)cccc1)CCCCCCCCC	146
+C(CCOCc1cc(F)c(cc1)F)CCCCC(=O)O	8535
+c1c(Cl)cc(cc1C(c2nc(OC)nc(c2CC)OC)=O)Cl	8536
+c1c(F)c(c(cc1C)F)C=O	151
+c1(F)cc(cc(F)c1C=O)Cl	151
+c1c(I)cc(c(NC2=CC(=O)N(C)C=C2C=3OC(NN=3)=O)c1)F	8537
+O(C)c1cc(OC)c(C=O)c(Br)c1	151
+c1c2OCCOc2cc(OC)c1C=O	151
+c1c(c(C=O)c(C)cc1)CCOC	146
+c12[nH]c(c(CCC(=O)O)c1CCCCC2)C=O	413
+c12[nH]c(c(CCCO)c1CCCCC2)C=O	413
+c1(C=O)cc2c(n[nH]c2cc1)CC	146
+O=Cc1cn(CC)c2cc(ccc12)C(=O)OC	287
+c1c2c(csc2ccc1)C=Cc3sc(C=O)cc3	3537
+c1cccn2c(cnc12)C=O	8538
+c12oc3c(c1ccc(c2C)C=O)cccc3	8539
+O=Cc1c(c(ccc1F)C#N)Cl	151
+c1cc(ccc1)-n2c(cc(C=O)c2C)C	287
+O=Cc1ccc(Oc2cccc(c2)F)nc1	687
+c1(C=O)ccc(c(CC)c1)Br	1669
+c1cc2c(c(c1OCCC)Cl)cc[nH]2	4533
+c1ccccc1-c2c(C=O)c3cc(Cl)cc(c3[nH]2)[N+]([O-])=O	287
+c1ccccc1-c2cccc(C=O)c2	146
+c1ccccc1C(=O)C=CN(C)C	2409
+c1cc(ccc1)C(Nc2c3ccc(cc3ccn2)C=O)=O	146
+c1ccccc1CN(Cc2ccccc2)c3c(F)c(C=O)c(F)cc3	151
+c1cc(ccc1)COc2cc(C(=O)OC)cc(n2)Cl	4534
+c1cc(ccc1)COc2c3n(c(C)c(C=O)c3cnn2)Cc4ccc(cc4)OC	8540
+c1cc(ccc1)CSc2n3ncc(C=O)c3nc(Nc4cc(Cl)ccc4)c2	2022
+c1cc(ccc1)Cc2cc3c([nH]cc3C=O)cc2	287
+c1cc(ccc1)Nc2nc(ccn2)-c3n(C(C)C)c(nc3)C=O	1378
+c1ccccc1Oc2cc3c(cc2)[nH]cc3	4533
+c1cc(ccc1)[Si](c2ccccc2)(Oc3cc(OC)c(c(c3)OC)C=O)C(C)(C)C	151
+c1cc(ccc1-c2c(n(c(c2-c3ccc(cc3)F)C(=O)OCC)C(C)C)C=O)F	413
+c1cc(ccc1-c2n(C)c3c(c2CCC(=O)O)cc(cc3)Cl)Cl	8541
+c1cc(ccc1S(=O)(=O)N2CCCC2)-c3c4cc(C=O)n(c4ncc3)S(=O)(=O)c5ccccc5	413
+c1cc(ccc1S(=O)(=O)N=CN(C)C)-c2c(ccc(-c3n(c(cc3C)C(=O)N(C)OC)C)c2)OC	8542
+c1cc(ccc1-c2ccc3[nH]cc(C=O)c3c2)Br	287
+c1cc(ccc1F)-n2nnc(C)c2C=O	8543
+c1cc(ccc1Br)-n2c(C)c(C=O)c(C)n2	4530
+c1cc(ccc1CC2OC(C)(C)OC2)C=O	146
+c1cc(ccc1CCOCOC)C=O	146
+c1cc(ccc1)C(C)N2CCOC(C2)c3ccc(cc3)C=O	146
+c1cc(ccc1CC2(CCN(CC2)C(=O)C3CN(Cc4ccccc4)c5cc(Cl)c(C=O)cc5O3)C#N)F	151
+c1cc(ccc1CNc2ccc(cn2)C=O)Cl	687
+c1cc(ccc1Cl)-c2c(c3c(cccc3)[nH]2)C=O	287
+c1ccccc1-c2c(n(c(C=O)c2-c3ccc(cc3)F)C(C)C)C(=O)OCC	413
+c1cc(ccc1-n2c(ncc2C(C)(C)c3cc(Cl)c(Cl)cc3)C=O)F	1378
+CCC(=CC)c1cc(C=O)c(F)cc1	151
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4c3cc(C=O)cc4	146
+c1cc(ccc1F)Oc2cccc(C=O)c2	146
+c1cc(ccc1C=O)N(CCCCCCOC2CCCCO2)CC	146
+c1c(C)c(c(cc1Br)C)Sc2c(c(C=CN(C)C)nc(Nc3ccc(cc3)C#N)n2)[N+](=O)[O-]	1693
+c1(C)cc(cc(C)c1Oc2c(c(nc(Nc3ccc(cc3)C#N)n2)C=CN(C)C)[N+]([O-])=O)Br	1693
+c1cc(ccc1-c2nn3c(cc(cc3)Cl)c2C=O)OC	2216
+c1cc(ccc1OC)-c2csc(C=O)c2-c3c(C)cc(cc3)C#N	968
+c1cc(ccc1C(N)=O)OCCN2CCCC2	1602
+c1cc(ccc1[N+](=O)[O-])C(=O)N(C)C	8544
+c1cc(ccc1CCC(=O)N)[N+]([O-])=O	2789
+c1(c(Br)cnc(Cl)c1)C=O	4457
+c1cc(nnc1C(=O)OC)Cl	4534
+c1c(OC)c2cccc(C)c2c(c1)C=O	151
+c1(C=O)cc2c(OCC)c(C#N)cnc2cc1	1669
+O=Cc1c2c(cccc2)[nH]c1C	287
+O=Cc1c2n(c(ccc2)Cl)nc1-c3cccc(c3)C	2216
+O=Cc1c2c(c(C)c(cc2)[N+]([O-])=O)[nH]c1	287
+c1(C=O)c2c(C(=O)OC)cccc2[nH]c1	287
+c1(c2c(cccc2[nH]c1)O)C=O	287
+CC(C)(N1C(c2c(Cl)c(ccc2C1=O)F)O)c3ccccc3	4535
+c1ccccc1C2CN(CCc3cc(C=O)sc23)C	968
+c1cc(ccc1)CCCN2C(c3c(C2=O)ccc(OC)c3)O	4535
+c1ccccc1COC(=O)c2ccc(C=O)[nH]2	413
+c1ccccc1COCCCc2ccc(cc2)C=O	146
+c1ccccc1COc2cc(cnc2Nc3scc(C)n3)C=O	687
+c1ccccc1COc2cc(C)c(cc2)C=O	151
+c1ccccc1COc2ccc(cc2)-n3c4c(c(C=O)c3C)cc(F)cc4	287
+C1CCCC1c2cc(C=O)ccc2OCc3ccccc3	146
+c1ccccc1COc2cc(C=O)cnc2	687
+c1cc(ccc1)Cn2c(-c3ccccc3)c(c4c2C(CN(C4)Cc5ccccc5)C)C=O	287
+c1cc(ccc1)Cn2c3c(c(C=O)c2C(C)C)ccc(OC)c3	287
+c1cc(ccc1)S(=O)(=O)n2c(C=O)cc3cccnc23	413
+C(c1n(-c2c(Cl)cccn2)ccc1)=O	413
+O=Cc1n(ccc1)-c2c(F)ccc([N+]([O-])=O)c2	413
+c1cnccc1-c2cc3c(nc2-c4occn4)NC(=O)N3	8545
+c1(c2n(nc1)ccc(Cl)n2)C=O	2022
+c1(c2cc(Br)ccn2cn1)C=O	8546
+n1n(C)c(CC)cc1C(=O)N(OC)C	8547
+CN(C)CC#Cc1cc(c(OC(OC)=O)cc1[N+](=O)[O-])C	197
+CN(C)CC#CC(=O)O	3914
+CN(C)CC#Cc1ccc(c(C)c1Cl)Br	121
+c1cc(ccc1NC(c2ccc(cc2)F)=O)CNc3c4cc(ccc4nc(N(C)C)n3)C#CCN(C)C	121
+c1cc(ccc1C(Nc2ccccn2)=O)-c3nc(C4N(CCC4)C(C#CCN(C)C)=O)n5ccnc(N)c35	2976
+CN(C)CC#Cc1c(cc(OC(OC)=O)c(C)c1)N	0
+CN(C)CCCc1ccc(c(c1Cl)C)Br	213
+CN(C)CC(=O)N1CCCC1COc2c3c(ncnc3Nc4ccc(c(Cl)c4)OCc5nccnc5)ccc2	8548
+CN(C)CC(N1CCc2cc(ccc12)N)=O	0
+c1cc(ccc1NC(C)CN(C)C)[N+](=O)[O-]	60
+CN(C)CC(=O)NCC1Cc2cc(C)c3c(ccc(n3)O)c2O1	9
+CN(C)CC(=O)N1CCCC1COc2c3c(ncnc3Nc4ccc(c(Cl)c4)O)ccc2	10
+CN(C)CC(=O)N1C(CC(C1)O)COc2c3c(ncnc3cc(c2)OC)Nc4cc(c(F)cc4)Cl	10
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5c(ccc(c5)NC(=O)CN(C)C)C)=O)n2	33
+c1cc(ccc1-c2oc3c(C(N)=O)cccc3n2)C4CCCN(C4)C(CN(C)C)=O	10
+CN(C)Cc1nc(-c2c3n(cn2)-c4ccc(F)cc4C(N5CCC35)=O)no1	4536
+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(c(cc34)NC(C=CCN(C)C)=O)OCC	8549
+CN(C)CC1CC1c2cc3[nH]cc(C#N)c3cc2	4537
+CN(C)CC1Cc2ccc(cc2CC1)NC(c3[nH]cc(-c4ccc(cc4)Cl)c3)=O	187
+CN(C)CC1CN(S(=O)(=O)C)c2ccccc2C1	1632
+CN(C)CC1CCCN1c2cc(N)c(N)cc2Cl	0
+CN(C)CC1N(c2c(cc([N+]([O-])=O)c(N)c2)Cl)CCC1	202
+CN(C)CC=CC(=O)N1CCc2c(sc3ncnc(Cl)c23)C1	4110
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c(cnc4cc(OCC)c(cc34)NC(C=CCN(C)C)=O)C#N	4538
+CN(C)CCC(Nc1cc(ccc1)N)=O	0
+CN(C)CCC(Nc1cccc(-c2ccnc(NCCc3cc(c(OC)cc3)OC)n2)c1)=O	33
+c1(c(c2ccccc2[nH]1)C(=O)CCn3ccnc3)C	8550
+CN(C)CCCc1c2ccccc2[nH]c1-c3c(noc3C)CC	1283
+c1cc(ccc1N(CCCl)CCCl)NC(=O)Nc2cccc(c2)NC(CCN(C)C)=O	124
+c1ccccc1-c2n(c3c(c2C(CCn4ccnc4)=O)cccc3)C	8551
+O(C)c1c(ccc(c1)C=2CCNN=2)OC	8552
+CN(C)CCC(=O)c1cc([N+](=O)[O-])c(s1)Sc2ccc(Cl)cc2Cl	4539
+CN(C)CCCC(C)=NO	350
+c1cc(ccc1ON=C(CCCN(C)C)C)[N+]([O-])=O	2890
+C1CC(=O)N(C1=O)OC(CCCOc2cc3c(C(CCCN(C)C)c4c(cccc4)CC3)cc2)=O	884
+CN(C)CCCC1c2c(CCc3ccccc13)cc(OCCCC(O)=O)cc2	3
+CN(C)CCCCNCCC#N	1287
+CN(C)CCCCNc1ccccc1S(=O)(=O)Nc2ccc3c(OCC4C3CCO4)c2C(O)=O	60
+CN(C)CCCCNc1nccc(Oc2cc(c(N)cc2)C)n1	96
+CN(C)CCCCN(C)c1ccccc1S(=O)(=O)Nc2ccc3C4C(COc3c2C(=O)O)C4	34
+CN(C)CCCCNC	695
+FC(F)(F)c1c(-c2cccc(Cl)c2)ccc(c1)NC(Nc3c(C)cc(Oc4ccnc(NCCCCN(C)C)n4)cc3)=O	1680
+CN(C)CCCOc1cc(-c2c(-c3c(C)cccc3)ccc(C(=O)OC)n2)ccc1Cl	72
+CN(C)CCCOc1ccc(cc1N)Cl	72
+FC(F)Oc1ccc2c(c1)c(nn2CCCN(C)C)I	2058
+CN(C)CCCOc1c(C=O)cc(cc1)OC	72
+CN(C)CCCOc1c(CC=C)cc(OCCCC)cc1	72
+c1cc(ccc1OCCCN(C)C)Nc2cc(Nc3cccc(c3)C)ncn2	72
+c1cc(ccc1OCCCN(C)C)C(=O)OC	72
+CN(C)CCCNC(c1n(c2ccccc2n1)CCCCCCCCCCCCCCCCCC)=O	1506
+CN(C)CCCNc1c(cc(cc1)C)[N+](=O)[O-]	205
+CN(C)CCCNc1ncc2c(ccc(Br)c2)n1	8553
+O=S(=O)(N(C)c1ccc(c2c1[nH]c(C=3SC(CN=3)CC(=O)N)c2)C)c4cccs4	8554
+O=S(=O)(N(C)c1cccc2cc(C(N)=O)[nH]c12)c3ccccc3OC	8555
+CN(C)CCCNC(=O)C=C	8556
+CN(C)CCCNc1c(N)cc(cc1)C	0
+FC(F)(F)C(C)Nc1nc(nc(Cl)c1-c2c(F)cc(cc2F)OCCCN(C)C)-c3ccccn3	57
+FC(F)(F)CNc1c(-c2c(cc(cc2F)OCCCN(C)C)F)c(Cl)nc(-n3ccnc3)n1	57
+FC(F)(F)c1cc2C=CC(=O)N(CC(=O)Nc3scc(c3-c4ncn(CCCN(C)C)n4)Cl)c2cc1	4540
+CN(C)CCCOc1cc(F)c(c(c1)F)-c2c(C)nnc(-c3c(cccc3)F)c2-c4cc(OC)cc(OC)c4	57
+c1cc(ccc1-c2ccc3c(C(Nc4ccc(cc4)Cl)CC(C)N3C(C)=O)c2)C(=O)OCCCN(C)C	1533
+CN(C)CCCOc1ncc(Br)cc1	430
+n1cc(cnc1-c2cc(ccc2)C(OC)=O)OCCCN(C)C	1897
+CN(C)CCCOc1ccc(OC)cc1C=NCCc2ccccc2	853
+CN(C)CCCOc1c(CCCO)cc(OCCCC)cc1	347
+c1ccccc1CCNCc2cc(OC)ccc2OCCCN(C)C	1172
+CN(C)CCCOc1ccc(Cl)cc1NC(Nc2ncc(C#N)nc2)=O	446
+CN(C)CCn1c2cc(Cl)ccc2c(c1)C(=O)OC	1277
+CN(C)CCOc1cc(F)c(c(F)c1)C2=C(N=C(C(=O)N2CC(C)CC)n3cccn3)Cl	72
+c1ccccc1S(=O)(=O)c2ccc3N(C(COc3c2)=O)CCN(C)C	1525
+CN(C)CCn1nc2c(cc([N+]([O-])=O)cc2)c1	8557
+CN(C)CCn1ncc2c1cc([N+]([O-])=O)cc2	2058
+c1cc(ccn1)Nc2c(OCCN(C)C)cnc(-c3nn(Cc4c(cc(cc4F)OCC)F)c5c3CCC5)n2	8558
+CN(C)CCN1c2c(CCC1=O)cc(cc2)[N+]([O-])=O	1525
+CN(C)CCOc1ccc2c(N(c3c4CCCc4nc(-c5sc(cc5)Cl)n3)CC2)c1	72
+c1cc(ccc1OCCN(C)C)-c2c(cnc(n2)N)C3=NN(C(C)C)C(=O)C=C3	72
+CN(C)CCOc1ccc(cc1)C(Cc2ccc(cc2)Cl)=O	72
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3CCCc4cc(OCCN(C)C)ccc34)C(C)C	72
+CN(C)CCOc1ccc(cc1)Cc2c(NCCCCC)nc(N)nc2C	72
+CN(C)CCOC(C(CNC(c1cccs1)=O)NC(=O)c2c(cc(cc2)C(NCc3cccc(O)c3)=O)Cl)=O	2120
+O(C)C(OC)c1c(cc2CCCNc2n1)CNCCN(C)C	249
+CN(C)CCN1C(=O)c2c(cc([N+](=O)[O-])c(N)c2C)C1=O	8559
+CN(C)CCNc1ncc2c(n1)N(OC)C(=O)C(c3c(Cl)ccc(c3)[N+]([O-])=O)=C2	435
+O=S(=O)(NCCN(C)C)c1cccc([N+](=O)[O-])c1	71
+CN(C)CCNc1c(cccc1)[N+](=O)[O-]	250
+CN(C)CCNc1nc(-c2c(C)ccc(C(=O)Nc3sccn3)c2)c4c(N(C(=O)C=C4)c5c(F)cccc5F)n1	306
+CN(C)CCNc1ccc(cn1)[N+](=O)[O-]	70
+CN(C)CCNc1c2c(ncn1)[nH]c3c2ccc(C#N)c3	974
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(nc5sc(cc45)CC)NCCN(C)C)=O	96
+CN(C)CCNC(=O)Cc1cc(sc1-c2ccc(cc2)C#N)C(=O)c3occc3	9
+c1cc(ccc1Br)NC(=O)c2ccc(c([N+](=O)[O-])c2)NCCN(C)C	60
+c1cc(ccc1Cl)-c2n(CCN(C)C)c3CCSCc3c2	4541
+c1cc(ccc1F)N2CCN(CC2)C(=O)NCCN(C)C	1132
+c1cc(ccc1CC(=O)NCCN(C)C)NC(OCc2ccccc2)=O	9
+c1cc(ccc1Oc2ccccc2)NC(Nc3cc(c(NCCN(C)C)cc3)[N+](=O)[O-])=O	60
+c1ccccc1CN2C(C3=C(CCC3)N=C2C(NCCN(C)C)CC)=O	1682
+c1ccccc1CN2C(C(CC)NCCN(C)C)=Nc3ncccc3C2=O	1682
+CN(C)CCN(C)C(c1ccc(cc1)N)=O	0
+c1cc(ccc1Br)NC(Nc2ccc(cc2)C(=O)N(CCN(C)C)C)=O	124
+CN(C)CCN(C)c1c(N)cc(Nc2ncc(c(-c3cn(c4c3cccc4)C)n2)C)c(OC)c1	0
+CN(C)CCN(C)c1c(N)cc(c(c1)OC)Nc2nc(-c3c4c([nH]c3)cccc4)ccn2	0
+CN(C)CCN(C)c1c(cc(c(c1)OC)Nc2ncc(C#N)c(-c3c4n(nc3)cccc4)n2)N	8560
+CN(C)CCN(C)c1c(cc(c(c1)OC)Nc2nc(-c3c4n(nc3)cccc4)c(cn2)Cl)N	0
+CN(C)CCNCCCCn1c2c3c(cccc3)nc(N)c2nc1CCOC	1385
+CN(C)CCN(C(OCC)=O)c1c(N)cccc1	0
+CN(C)CCN(c1sc2c(n1)ccc(N)c2)C	0
+c1cc(ccc1I)C(Nc2cc3c(nc(N(CCN(C)C)C)s3)cc2)=O	67
+CN(C)CCN1C(c2c(C)c(N)c(N)cc2C1=O)=O	0
+CN(C)CCN1C(CCn2c(c(C3CCCCC3)c4c2cc(C(=O)O)cc4)-c5ccccc5C1)=O	1
+CN(C)CCN1C(c2c(cc3c([nH]c(-c4c(Cl)ccnc4OC)n3)c2C)C1=O)=O	1637
+c1(F)c(F)c(c(c(F)c1)F)CC(C)Nc2ccnc(O)c2-c3nc4cc5c(C(=O)N(C5=O)CCN(C)C)c(C)c4[nH]3	105
+CN(C)CCN1C(=O)c2c(cc3nc([nH]c3c2C)-c4c(O)nccc4NC(Cc5c(ccc(F)c5)C)C)C1=O	8561
+CN(C)CCN1C(c2c(C1=O)cc3c(c2C)nc(-c4c(nccc4Cl)O)[nH]3)=O	104
+c1cc(ccc1C(N2CCCc3cc4c(N(CCO4)CCN(C)C)cc23)=O)-c5c(cc(N6C(=O)CCC6)cc5)C	8562
+C1CSc2cc([N+]([O-])=O)ccc2N1CCNC	2217
+CN(C)CCN1CCc2[nH]c(c(c2C1=O)C)C=C3c4c(ncnc4NC3=O)Nc5cc(c(F)cc5)Cl	2709
+c1cc(ccc1)OC(N(CCN2c3ccc([N+]([O-])=O)cc3CCC2)C)=O	1142
+CN(C)CCN1c2c(CCC1)cc([N+]([O-])=O)cc2	15
+FC(F)(F)c1csc(-c2c(-c3cnc4c(c3)C(C(C(OCC)=O)=CN4CCN(C)C)=O)cnc(c2)NC(=O)NCC)n1	1168
+CN(C)CCN(C)c1c(cc(Nc2nc(c(C)cn2)-c3cn(c4c3cccc4)C)c(OC)c1)[N+]([O-])=O	34
+CN(C)CCN(C)c1c(cc(c(c1)OC)Nc2ncc(c(-c3c4n(nc3)cccc4)n2)Cl)[N+](=O)[O-]	34
+CN(C)CCN(c1nc2ccc([N+]([O-])=O)cc2s1)C	8563
+CN(C)CCN(C)c1c(cc(Nc2nccc(n2)-c3c4c([nH]c3)cccc4)c(OC)c1)[N+]([O-])=O	34
+CN(C)CCN(C(=O)c1ccc(cc1)[N+](=O)[O-])C	30
+CN(C)CCNCCc1c(C(OCC)=O)c(C)c[nH]1	15
+c1cc(ccc1[N+]([O-])=O)CC(Nc2ccc(cc2)CC(NCCN(C)C)=O)=O	33
+CN(C)CCNC(=O)c1c2c(ccc1)nc3ccc4cc(ccc4c3n2)O	5
+CN(C)CCN1CCc2c(c(C)c[nH]2)C1=O	1858
+CN(C)CCNc1cc(N)c(cc1F)N	0
+CN(C)CCNc1c(F)cc2[nH]c(-c3nn(cc3N)C4OCCCC4)nc2c1	209
+CN(C)CCNc1cc(cc(c1)F)-c2cncc(N)c2N	0
+CN(C)CCNc1ccc(cn1)N	13
+CN(C)CCNc1ncc2C=C(C(=O)N(c2n1)OC)c3cc(NC(=O)Nc4cc(c(cc4)OC)Cl)ccc3Cl	124
+CN(C)CCNc1ncc2c(N(C(C(c3c(ccc(N)c3)Cl)=C2)=O)OC)n1	0
+CN(C)CCOCc1c(cccn1)OCCOC2CCCCO2	2404
+CN(C)CCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CCCCn2c3c(nc2CCOC)c(N)nc4ccccc34	2715
+CN(C)CCOc1ncc([N+](=O)[O-])cc1Br	91
+CN(C)CCOc1c([N+](=O)[O-])cccc1	20
+CN(C)CCOc1c2c(Nc3ccc(c(Cl)c3)OCc4nccnc4)ncnc2ccc1	1111
+c1ccccc1-c2cc(c(nc2-c3ccc(cc3)CN4CCC(CC4)N5C(=O)Nc6c5cccc6)OCCN(C)C)C#N	91
+c1cc(ccc1C)S(=O)(=O)OCCN(C)C	36
+c1cc(ccc1Cc2c(C)nc(N)nc2NCCCCC)CC(=O)OCCN(C)C	456
+CN(C)CCOc1cc(COc2ccc(cc2)C(=O)Nc3cc(ccc3C)-c4ncc[nH]4)ncc1	260
+c1cc(ccc1N2CCN(CC2)C(OCCN(C)C)=O)[N+]([O-])=O	2078
+c1ccccc1C2=CC(C(OCCN(C)C)=O)=C3N(Cc4ccccc34)C2=O	8564
+CN(C)CCOc1nc(Cl)nc(Nc2cc3cn[nH]c3cc2)c1	145
+CN(C)CCOCCCC1Oc2c(c(C)c(O)c(C)c2C)S1	241
+CN(C)CCOCc1ncccc1OCCO	168
+CN(C)CCOc1ncc(N)cc1-c2cnc(nc2)OC	8565
+CN(C)CCOc1c(C)ccc(c1)Nc2cc(nc3c2cccc3)C	179
+O=S(=O)(Nc1c(OCCN(C)C)ccc(Br)c1)C	80
+c1ccccc1C(NC(=S)Nc2ccccc2OCCN(C)C)=O	865
+CN(C)CCOc1c(N)cc(cc1)Br	0
+CN(C)CCOc1c(N)cccc1	0
+CN(C)CCOc1c(OC)ccc(NC(c2cc(C)c(-c3ccc(cc3)-c4ncccc4)cc2)=O)c1	11
+CC(C)Oc1cc(OCCN(C)C)ccc1Nc2cccc(c2C(OC)=O)C(OC)=O	1215
+CN(C)CCOc1ccc(c(N)c1)[N+]([O-])=O	3915
+CN(C)CCOc1cc2C(C(C)(C)CC(c2cc1)c3ccc(cc3)Cl)Cl	525
+c1ccccc1COc2c3c(cccn3)c4C(CCl)CN(C(=O)c5[nH]c6c(c5)cc(OCCN(C)C)cc6)c4c2	2677
+CN(C)CCOc1cc(OC(C)C)c(N)cc1	0
+CN(C)CCOc1cc(c(cc1)N)N	0
+CN(C)CCOc1cc2c(C(c3ccc(cc3)Cl)CC(C)(C)C2O)cc1	74
+c1cc(ccc1C(c2ccc(cc2)O)=C(CC)c3cccc(OCCN(C)C)c3)O	1051
+CN(C)CCOc1ccccc1Nc2nc(C3=Cc4cccc(Cl)c4OC3=O)cs2	3467
+CN(C)CCOc1nc(-c2cc(ccc2)OC)nc(c1)Nc3cc4cn[nH]c4cc3	345
+CN(C)CCOc1nc2c(cc1-c3cnc(nc3)OC)nc(N)s2	4542
+CN(C)CCOc1c(Br)cc(N)cn1	13
+O=S(=O)(c1sc2ccc(CSCCN(C)C)cc2c1)N	639
+CN(C)CCc1c(O)ccc(c1)-c2n(C)nc(C)c2C	5
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c4cccc(C(N)=O)c4)c3n2)=O)c5ccc(cc5)OC)C)ccc1	216
+CN(C)CCc1cc2occc2c(n1)Cl	8566
+O=C1c2ccccc2C(=O)N1Cc3nnc(CCN(C)C)n3-c4ccc(cc4C(c5ccccc5Cl)=O)F	4543
+CN(C)CCn1cc(c2ccc(cc12)Cl)C(O)=O	1
+c1cc(ccc1Oc2ccccc2)CC(Nc3cc4c(nn(c4)CCN(C)C)cc3)=O	33
+CN(C)CCn1cc2c(n1)ccc(N)c2	0
+CN(C)CCn1c2c(cn1)ccc(NC(=O)Cc3ccc(cc3)OCc4ccccc4)c2	33
+CN(C)CCn1ncc2c1cc(N)cc2	0
+CN(C)Cc1c[nH]c2ccc(OCCC)c(c12)Cl	8567
+CN(C)Cc1cc2c([nH]1)ncc(c2)N	13
+CN(C)Cc1[nH]c2c(cc(-c3nc(c4c(OC)cc(OC)cc4n3)O)cc2)c1	748
+CN(C)Cc1c(ccc(c1)N)F	0
+N#CCc1c2c(c(Cl)ncc2Br)[nH]c1	1432
+C(c1c[nH]c2c1cc(cc2)C(=O)OC)C#N	1432
+C(c1c[nH]c2c([N+]([O-])=O)cccc12)C#N	1432
+c1c(cc2[nH]cc(CC#N)c2c1)Br	1432
+C(c1c[nH]c2c1ccc([N+]([O-])=O)c2)C#N	1432
+c1cc2[nH]cc(CC#N)c2c(c1OCCC)Cl	1432
+CN(C)Cc1cc(-c2cc3c[nH]nc3cc2F)cnc1	804
+CN(C)Cc1cc(-c2c(cc3n[nH]c(I)c3c2)F)cnc1	538
+CN(C)Cc1cc(N)c(OCC)cc1	0
+CN(C)Cc1ccc2oc(C)c(C=3C(NC(=O)C=3c4c[nH]c5c(cccc45)C)=O)c2c1	3331
+CN(C)Cc1ccc2ccc(c(CC(N)=O)c2c1)Cl	2125
+CN(C)Cc1ncc2ccc(c(C=3C(NC(=O)C=3c4c5ccccc5n(c4)C)=O)c2c1)Cl	1492
+CN(C)Cc1cc2c(CC(=O)N)c(C)oc2cc1	728
+CN(C)Cc1ccc2c(c(CC(N)=O)co2)c1	327
+CN(C)Cc1ccc2c(c(ccc2c1)Cl)CC(N)=O	83
+CN(C)Cc1ccc2c(c(Cl)ccc2c1)C=3C(=O)NC(=O)C=3c4cn(c5ccccc45)C	1492
+CN(C)Cc1cc2ccc(c(CC(O)=O)c2cc1)Cl	3
+CN(C)Cc1nc2c(c(Cl)ccc2cc1)CC(=O)N	2125
+CN(C)Cc1cc2c(ccc(Cl)c2C=3C(=O)NC(=O)C=3c4cn(C)c5ccccc45)cc1	1492
+CN(C)Cc1cc(ccc1)-c2cc3c(Nc4ccc5c(c4C)cc[nH]5)c(C#N)cnc3s2	2844
+CN(C)Cc1cccc(c1)CCNC=2C(N(C(=CN=2)C)CC(=O)O)=O	8568
+CN(C)Cc1nc2n(c(nc(c2)Cl)Cl)c1	8569
+CN(C)Cc1cn2C(=O)NC(Cl)=Cc2n1	8570
+CN(C)Cc1cnc2ccc(c(CC(N)=O)c2c1)Cl	327
+CN(C)Cc1cccc(CSCCNC2=NS(=O)(=O)N=C2N)n1	8571
+CN(C)Cc1ccc2c(n1)c(c(cc2)Cl)C=3C(=O)NC(=O)C=3c4c[nH]c5c(cccc45)C	2218
+CN(C)Cc1ccc2cc(ccc2n1)N	0
+CN(C)Cc1cc2c(CC(N)=O)c(ccc2cn1)Cl	327
+CN(C)Cc1cc(n(n1)C)Nc2ncc(c(Nc3c(F)cccc3C(NC)=O)c2)Cl	346
+CN(C)Cc1sc(C2(CCC3(CC2)OCCO3)O)cn1	8572
+O=S(=O)(N(C)C)NC(=O)c1c(F)cc(C)c(F)c1	258
+O=S(=O)(N(C)C)c1c(ncc(c1)-c2nc3c(cc2)nccc3-c4ccncc4)N	8573
+c1cc(ccc1S(=O)(=O)N(C)C)Oc2cc(cc(C(=O)Nc3nn(C)cc3)c2)OC(C)COC	992
+CN(C)S(=O)(=O)c1cccc(N)c1O	0
+CN(C)S(=O)(=O)n1c(CN(C2CCCc3c2nccc3)CCCCN4C(=O)c5ccccc5C4=O)nc6CCCCc16	566
+CN(C)c1nc2cc([N+]([O-])=O)cc(C(Nc3cccc(Cl)c3C)=O)c2[nH]1	246
+CN(C)c1c(Br)cc(S(=O)(=O)Nc2ncc(Cl)cc2O)cn1	390
+c1cc(ccc1-c2c3ccccc3nc(c2C=CCO)N(C)C)F	2219
+CN(C)c1nc(ccc1[N+](=O)[O-])NCc2ccc(cc2)F	70
+CN(C)c1ncc(Cl)cc1-c2c3n(c(nc3cc(n2)C#N)N4CCOC5CCCC45)CC6CCC(CC6)C	8574
+CN(C)c1nc(Nc2c(C(=O)N)nnc(c2)Cl)ccc1C	314
+CN(C)c1cc([N+]([O-])=O)ccc1OCCN(CCc2ccc(OC)c(OC)c2)C	72
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)S(=O)(=O)c3c4cccc(N(C)C)c4ccc3)=O	92
+CN(C)c1n(Cc2ccccc2F)nc(c1)C#N	331
+c1ccccc1NCc2ccc(c(N(C)C)c2)OCOC	208
+CN(C)c1cc2C(=O)OC(=O)Nc2cc1	2081
+CN(C)c1ncc(N)c(C)c1	13
+CN(C)c1cc(COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4)ccc1	967
+C1CC(CCC1N(C)Cc2ccccc2)(O)c3cc(ncc3)N(C)C	8575
+CN(C)c1nccc(c1)C(=O)N2CCCC(C2)c3ccccc3OC	30
+CN(C)c1ccnc(c1)CNC	1279
+CN(C)c1cc2c(c(C#N)c(N)nc2cc1)NCc3sccc3	105
+CN(C)c1cc2c(cc1)C(=C3c4cc(Cl)ccc4NC3=O)OC2	3585
+CN(C)c1cc(c(N)cc1)C(O)=O	0
+CN(C)c1ccc(cc1)-c2nc(-n3nc(c(C(O)=O)c3)N)ncc2	6
+CN(C)c1ccc(cc1)-c2oc3c(C(O)=O)cccc3c2	1
+CN(C)c1ccc(cc1)C(O)C#Cc2ccncc2	8576
+c1cnccc1C#CC(c2ccc(cc2)N(C)C)=O	8577
+CN(C)c1ccc(cc1)C=2Oc3c(cc(cc3)O)C(C=2)=O	5
+CN(C)c1ccc(cc1)C=Cc2ccc(cc2)C=O	722
+c1cc(ccc1C=C)C=Cc2ccc(cc2)N(C)C	443
+C[Si](C)(C)C#CC(O)c1ccc(cc1)N(C)C	8578
+CN(C)c1ccc(cc1)C=CC(=O)c2cc([N+]([O-])=O)c(c(c2)O)O	307
+c1cc(ccc1CNc2ccc(cc2)C(C)C)N(C)C	208
+CN(C)c1ccc(cc1)C=C	443
+c1cc(ccc1N(C)C)CNC(c2n(c3cccc(O)c3c2)C)=O	81
+c1cc(ccc1CN2C(=O)C(=C(c3ccccc3)C2=O)Cl)N(C)C	8579
+CN(C)c1ccc(cc1)CN(C(CN(c2ccccc2OC)S(=O)(=O)c3ccccc3C)=O)CC	10
+CN(C)c1ncc(cc1)-c2ccc(nc2)C(=O)NCc3cnc(cc3)-c4cc(ncc4)F	1168
+c1ccccc1-n2c(c(C=Cc3nc4c(cc3)cc(N(C)C)cc4)cc2C)C	8580
+CN(C)c1cc2c(Cl)c(c(N)nc2cc1)C#N	120
+CN(C)c1cc(N(C)C)ccc1C2(c3c(n(CC)c4c3cccc4)C)c5ccccc5C(=O)O2	8581
+CN(C)c1cccc(Nc2nc(ccn2)N(C)c3cc4oc(C)c(C(NC)=O)c4cc3)c1	55
+CN(C)c1nc(ccc1)-c2cc(c(Cl)cc2)C(OC)=O	119
+CN(C)c1ccccc1CN2CC(CC2)Nc3ncc(C=CC(OC)=O)nc3	48
+CN(C)c1ccccc1CN2CC(CC2)Nc3cnc(C=CC(=O)O)cn3	127
+CN(C)c1cc(ncc1)CCl	515
+CN(C)c1ccnc(c1)CN(C)Cc2nc(cc(c2)O)-c3nccc(Cl)c3	1309
+c1cc(ccn1)-c2cncc(N(C)C)n2	1940
+CN(C)c1cc(C(N)=O)nn1Cc2c(cccc2)F	314
+C1CC(CCC1CN)Nc2nc(nc(N(C)C)c2)C	102
+CN(C)c1c(ccc(Nc2cc(NCCN)nnc2C(=O)N)n1)C	232
+CN(C)c1cccc(-c2ccc(Cl)c(C(=O)N)c2)n1	666
+CN(C)c1nc(nc(N(C)C)c1CC(OC)=O)Cc2ccc(cc2)[N+]([O-])=O	54
+CN(C)c1nc(nc(N(C)C)c1CC(OC)=O)Cc2ccc(cc2)NC(c3ccc(cc3)C(F)(F)F)=O	50
+CN(C)c1nc(nc(N(C)C)c1CC(OC)=O)Cc2ccc(cc2)N	0
+C1COCCN1c2nc(nc(N(C)C)n2)-n3cncc3	3970
+c1cc(ccc1Nc2nc(nc(N(C)C)c2)NC(=O)Cc3ccccc3)C	784
+FC(F)(F)Oc1ccc(cc1)CC(=O)N2CCC(Nc3nc4c(sc5ccccc45)c(N(C)C)n3)C2	10
+CN(C)c1[nH]c2cc([N+]([O-])=O)cc(C(O)=O)c2n1	1
+CN(C)c1[nH]c2c(c(C(Nc3c(C)c(ccc3)Cl)=O)cc(NC(c4c(Cl)cccc4F)=O)c2)n1	50
+CN(C)c1nc2c(cc(N)cc2[nH]1)C(Nc3c(C)c(Cl)ccc3)=O	0
+CN(C)c1ncc(cc1)CO	295
+CN(C)c1c(cc(cn1)Cl)-c2nc(C(=N)NO)cc3nc(n(CC4CCC(CC4)C)c23)N5CCOC6CCCC56	958
+C(C)C(CC)c1c2n3CCCCN(c3nc2c(Cl)cc1)c4c(cc(nc4)N(C)C)C	2394
+CN(C)c1ncc(Nc2n(c3c(C(CC)CC)ccc(Cl)c3n2)CCCCO)c(C)c1	44
+CN(C)c1nccc(-c2c(nc3n2cccc3)CO)c1	874
+CN(C)c1nccc(-c2n3ccccc3nc2C=O)c1	614
+CN(C)c1nccc(n1)Oc2cc(C)c3C(CC(O)=O)OB(c3c2)O	3
+CN(C)c1nn2c(n1)cc(cc2)NC(=O)c3c(cnn3C)C(=O)O	6
+CN(C)c1oc2c(cc(Oc3ccc4c(c(C(NCC(O)=O)=O)nc(c4c3)C#N)O)cc2)n1	2977
+CN(C)c1oc2c(cc(Oc3cc4c(c(O)c(C(=O)OCCCC)nc4C#N)cc3)cc2)n1	577
+CN(C)c1oc2c(cc(cc2)Oc3cc4c(nc(C(OCCCC)=O)c(c4cc3)O)Cl)n1	137
+C(N(C)c1n[nH]c2ccc([N+]([O-])=O)cc12)C(NC)=O	9
+c1nc2ccc(C=O)cc2nc1	760
+CN(c1c2c([nH]cc2)ncc1)c3ccc(N)cc3F	0
+c1cc(ccc1[N+]([O-])=O)N=Nc2ccc(N(CC=C)C)cc2O	725
+[N-]=[N+]=NCCCN(C)c1cc(ccc1)OC	310
+C(N1CC=C(CC1)c2ccc(c(CC)c2)N(C)c3ncc4c(c3)n(cn4)C)(CC#N)=O	2699
+c1cnccc1CNc2nc(Cl)cc3c2C(N(C)C=N3)=O	70
+c1cc(ccc1N=C2NC(Br)=CN(C)C2=O)CCO	8582
+c1cc(ccc1C(Nc2ccccc2CCC3N(C)CCCC3)=O)[N+](=O)[O-]	50
+O=S(=O)(C)Nc1cc(c(cc1)F)C2=CN(C)C(c3ccc(cc23)-c4cnn(c4)C)=O	80
+N1(C(=O)C)Cc2cc(NC3=CC(=CN(C)C3=O)Br)nn2CC1	523
+CN1C=C(C=C(C1=O)Nc2cc3CN(CCOC)CCn3n2)Br	523
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3C)Br	523
+CN1C=C(C=C(C1=O)Nc2nc(ccc2)N)Br	523
+CN1C=C(C=C(C1=O)Nc2cc(COC)n(C)n2)Br	523
+n1n2CCOCc2cc1NC=3C(N(C=C(Br)C=3)C)=O	523
+CC1(C)Cc2c(n3c(c2)C(N(CC3)c4nccc(C5=CN(C)C(=O)C(Nc6cccc(n6)N)=C5)c4COC(C)=O)=O)C1	8583
+O=S(=O)(Nc1cccc(c1)C2=CN(C)C(c3ccc(cc23)-c4ccccn4)=O)CC	2220
+c1c(F)c(N2C(CN(C)C(C2)C)C)ccc1N	0
+CC1=C(C(N(N1C)C)=O)C#N	8584
+c12n(-c3c(Cl)cccc3)cnc1N(C(=O)N(C)C2=O)C	3775
+c1ccccc1COC(=O)NC2CC(C(=O)NC3=C(c4ccccc4N(C3=O)C)N)CCC2	8585
+N1CCN(c2c(cc3c(nc4c(c3)C(C(C(=O)O)=CN4C)=O)c2)F)CC1C	1998
+Clc1cccc(c1)-c2onc(C3CCCCN3C(=S)NC)c2	1383
+C1(c2noc(-c3cc(Cl)ccc3)c2)COCCN1C(=S)NC	1383
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2cc3c(C(CC3)NC(NC)=S)cc2	1832
+O(C)c1nccc(c1)C=2N(C)C(=S)NN=2	8586
+N(c1cc(cc(C(=O)O)c1)O)C(NC)=S	2898
+c1([N+]([O-])=O)ccc2c(C(=C(O)C(C)(O2)COC)C(=S)NC)c1	8587
+c1(cccc(C#N)c1)-n2nc(nn2)C3CCCN3C(=S)NC	1383
+c1cc2c(C(N(C(=S)N2)C)=O)cc1Br	8588
+c1ccccc1COCCN2C(=O)N(C(=O)c3c2n[nH]c3NC)CCCC	8589
+o1c(-c2cc(ccc2)C#N)cc(C3CCCCN3C(=S)NC)n1	1383
+o1c(-c2csc(c2)Cl)cc(C3CC4CC4N3C(=S)NC)n1	1383
+CN(C)C(=O)c1cc(ccn1)-c2c(c(cc(C(C)n3c4ncnc(N)c4c(C)n3)c2OC)Cl)C	147
+FC(F)(F)c1c2c(c(c(cc2)OCCCN(C(N(C)C)=O)C)CCC)on1	2399
+CN(C)c1ccc(c(c1)C(=O)O)[N+](=O)[O-]	202
+CN(C)Cc1ncc2ccc(Cl)c(CC(OC)=O)c2c1	596
+CN(C)c1cncc(-n2cc(nc2C)C#Cc3cc(Cl)ccc3)c1	2688
+n1c(Cl)nc(nc1N(C)C)Cl	436
+CN(C)c1nc(Cl)ncc1C	54
+FC(F)(F)C(c1cn(c(c1)C(N(C)C)=O)CC=C)(O)c2ccc3c(c2)cnn3-c4ccc(cc4)F	147
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(C2=O)Cc3nc(NC(=O)N(C)C)ncc3	437
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(c1)[N+]([O-])=O)N(C)C	34
+FC(F)(F)c1cc(cc(c1)[N+]([O-])=O)C(N(C)C)=O	30
+FC(F)(F)c1cc2nc(C)n(c2c([N+]([O-])=O)c1N(C)C)CC	1998
+FC(F)(F)c1ccc2c(nc(SCC)c(c2N(C)C)C(NCc3cc(ccc3)F)=O)c1	264
+FC(F)(F)c1ccc(cc1)-c2c(C(OC)=O)ccc(CN(C)C)c2	131
+FC(F)(F)c1ccc(cc1)-c2sc(CNc3ccc(cc3)C4CC4C(N(C)C)=O)c(C)n2	10
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(C2CCC(CC2)OCCCC(C)N(C)C)C	85
+FC(F)(F)c1c(cn(n1)CC(Nc2sc3CCCCc3c2C(NCCO)=O)=O)CN(C)C	678
+FC(F)c1n(C(C(=O)N(C)C)C)c2c(c(c(C#N)cc2)Cl)c1	10
+CN(C)Cc1cc(C#Cc2cc(cnc2)C#N)ccc1F	171
+c1cc(ccc1-c2cn3c(C(N(c4c(F)c(ccc4)OC)C(N3Cc5c(F)cccc5F)=O)=O)c2CN(C)C)[N+](=O)[O-]	619
+CN(C)C(=O)c1ccc(c(F)c1)N	30
+CN(C)C(=O)c1cc(ccc1Br)N	30
+CN(C)CCOc1cc([N+](=O)[O-])c(cc1)N	28
+CN(C)Cc1cc2c(CC(=O)OCC)c(ccc2cc1)Cl	48
+CN(C)Cc1ccc2c(n1)c(c(Cl)cc2)CC(OCC)=O	315
+CN(C)Cc1nc(sc1)-c2ccc(cc2[N+]([O-])=O)C	3708
+CN(C)Cc1nc2ccc([N+](=O)[O-])cc2cc1	315
+CN(C)Cc1sccn1	3965
+CN(C)CCCn1c2c(ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)c2)nc1	123
+CN(C)CCOc1ccc2n(cc(CC(N3C4CC4CC3C(=O)NCc5c(F)c(ccc5)Cl)=O)c2c1)C(=O)N	123
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1	123
+O=S(=O)(N(C)C)c1c(OC)cccc1	92
+CN(C)S(=O)(=O)c1ccc(F)c(Cl)c1	92
+O=S(=O)(c1ccc2NC(Cc2c1)=O)N(C)C	92
+c1cc(ccc1F)-n2c3C=C4C(C(=O)c5ccccn5)(CN(S(=O)(=O)c6cnc(N(C)C)cc6)CC4)Cc3cn2	43
+CN(C)C(=O)c1cc(NS(=O)(=O)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3)ccc1	115
+CN(C)CCCOc1cc(Nc2cc(-c3c(-c4cnccc4)c(C#N)c(SC)s3)c(cc2)C)ccc1	123
+CN(C)S(=O)(=O)c1c(N)ncc(c1)Br	1027
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(F)ccc23)S(=O)(=O)N(C)C)C	1027
+c1ccccc1OCCC(N(C)C)C	2687
+CN(C)CCn1cc(I)cn1	236
+O=S(=O)(c1ccc(cc1)Cc2ccc(cc2)[N+]([O-])=O)N(C)C	92
+CN(C)c1c(Br)cc(S(=O)(=O)Nc2ncc(Cl)cc2OC)cn1	43
+CN(C)c1cc(c([N+](=O)[O-])cn1)C	43
+CN(C)c1c(C)ccc(n1)N	43
+CN(C)Cc1cc2c(cc1)oc(C)c2CC(=O)OCC	48
+CN(C)Cc1ccc2c(ccc(Cl)c2CC(OCC)=O)c1	48
+CN(C)C(=O)CCc1cc(c[nH]1)CCCC	1857
+CN(C)c1ncc([N+]([O-])=O)cc1C(O)=O	43
+CN(C)c1ccnc(CO)c1	264
+CN(C)c1c(cnn1C)[N+](=O)[O-]	959
+CN(C)c1nc(nc(Cl)c1)Nc2ccccc2	54
+CN(C)C(c1cccc(c1)Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)=O	115
+CN(C)CCC(=O)c1c([nH]c2ccccc12)C	1644
+CN(C)Cc1cccc(-c2sc3ncc(C#N)c(c3c2)Cl)c1	48
+CN(C)Cc1cnc2ccc(c(c2c1)CC(=O)OC)Cl	619
+CN(C)C(c1ccc([N+](=O)[O-])cc1F)=O	30
+CN(C)Cc1c(C(NCc2cc(F)c(cc2)F)=O)c3ccc(OC)cc3n1Cc4ccccn4	315
+CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O	224
+CN(C)c1nc2ccccc2n3c1nnc3CC	8590
+CN(C)c1cc2c(c(O)ncc2)cc1	34
+CN(C)C(C1C(=O)Nc2ccccc2C1)=O	2561
+CN(C)CCOc1c2c(ncnc2Nc3cc(c(OCc4cc(F)ccc4)cc3)Cl)ccc1	53
+CN(C)c1cncc(n1)Cl	317
+CN(C)C(c1cc(cc(I)c1)Br)=O	30
+CN(C)Cc1cc2c(occ2CC(OC)=O)cc1	131
+CN(C)C(=O)c1n[nH]c2cc(Br)ccc12	147
+CN(C)C(=O)c1[nH]c2c(c1)cc(cc2)Br	147
+CN(C)CCN1C(N2C(C)(C1=O)Cc3c([nH]c4ccc(cc34)OCC)C2c5cc(ccc5)O)=O	28
+CN(C)C(c1ccc2c(oc(CCCCN)c2)c1)=O	3479
+CN(C)C(=O)c1ccc2NC(=S)Oc2c1	30
+CN(C)C(COc1ccc2CCN(c3nc(nc4CS(Cc34)=O)Cl)c2c1)=O	731
+CN(C)c1c([N+](=O)[O-])ccc(n1)Cl	43
+CN(C)Cc1cc(c(OCC)cc1)[N+](=O)[O-]	171
+CN(C)C1=C(C(C1=O)=O)Nc2ccc3c(c2)c(Nc4cc(ccc4)Br)ncn3	8591
+c1cc(ccc1)-n2nc(C(OC)=O)c(C(=O)N(C)C)n2	777
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCC(CC4)C(N(C)C)=O	10
+c1ccccc1CCCCN(C)C	28
+c1cc(ccc1)CN2CCN(CC2)c3nccc4ccc(N(C)C)cc34	202
+c1cc(ccc1)CNC2CCC(CC2)CNc3cc(N(C)C)c(C)c[n+]3[O-]	3689
+c1cc(ccc1)COC(=O)CCCCN(C)C	8592
+c1ccccc1S(=O)(=O)n2c(cc3cc(cnc23)[N+]([O-])=O)CN(C)C	315
+c1cc(ccc1-c2c(C=O)c(nc3ccccc23)N(C)C)F	286
+c1cc(ccc1OCC(O)CN(C)C)Br	170
+c1cc(ccc1C(Nc2ccc(cc2)CNc3nc(N(C)C)nc4ccc(cc34)I)=O)F	549
+c1cc(ccc1C(N(C)C)=O)CNC(N2C(C)CN(c3ccc(c(Cl)c3)C#N)C(C)C2)=O	30
+c1cc(ccc1C(c2ccccc2)=O)OCCCCCN(C)C	28
+c1cc(ccc1C)NC(CC2(NC(Nc3cccc(c3)OC)=O)C(N(c4ccccc24)CCN(C)C)=O)=O	61
+CN(C)c1ccc(cc1[N+](=O)[O-])C(N2CCC(CC2)c3ccc(cc3)-c4cnn(c4)C)=O	34
+c1cc(ccc1CN(C)C)I	131
+c1cc(ccc1CCNc2c3c(ncn2)cc(cc3)OCCCN(C)C)NC(Nc4ccccc4)=O	53
+c1cc(ccc1CN(C)C)[N+]([O-])=O	171
+CN(C)C(CON(C(=O)C=C1C(OC(C)(C)O1)=O)Cc2ccc(cc2)F)=O	10
+c1cc(ccc1CN2C(c3c(cnc(C(=O)N(C)C)c3CC2)OC)=O)OC	147
+c1cc(ccc1CN(C)C)CNC(=O)C	171
+CN(C)c1nc(nc(Cl)c1CC(=O)OC)Cc2ccc(cc2)[N+]([O-])=O	54
+c1cc(ccc1Cl)C2c3nc(nc(N(C)C)c3CC2)Cl	54
+CN(C)c1ncnc2c1cc(-c3ccc(cc3)F)cc2	54
+CN(C)C(C(NC(C)(C)C=1N(C)C(C(=C(C(NCc2ccc(cc2)F)=O)N=1)O)=O)=O)=O	8593
+CN(C)CCC(N1CC(COc2nc(-c3ccc(cc3)N4CCOCC4)cc5nccnc25)OCC1)=O	2454
+CN(C)C(C(c1ccc(cc1)NC(=O)C)=O)CC	8594
+CN(C)CCC(Nc1ccc(cc1)Nc2nc(c(cn2)Br)Nc3ccccc3)=O	2454
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3CCCC(c4ccccc34)NC(CN(C)C)=O	224
+CN(C)c1nc(nc(Nc2ccc(cc2)C)c1)N	54
+c1cc(ccc1Nc2ncnc(N(C)C)c2)C(O)=O	54
+c1cc(ccc1OCCN(C)C)C(=C(c2ccc3c(cc(Cl)o3)c2)CC)c4ccc(cc4)O	53
+c1cc(ccc1OC)S(=O)(=O)N(C)C	92
+c1cc(ccc1OCC(CN(C)C)O)Nc2ncnc(Nc3cccc(c3)C)c2	170
+CN(C)C(C(C)CCn1c(COc2ccc(cc2)Cl)nc3c(C)cccc13)=O	58
+c1cc(ccc1S(=O)(=O)N(C)C)F	92
+CN(C)CC(O)c1cc(ccc1)NS(=O)(=O)c2ccc(cc2)-c3ccc(F)cc3F	170
+c1cc(ccc1-n2nc3c(c2CN(C)C)C(=O)N(C(N3Cc4c(F)cccc4F)=O)c5cccc(c5F)OC)[N+](=O)[O-]	596
+c1cc(ccc1[N+]([O-])=O)CCS(=O)(=O)N(C)C	8595
+CN(C)c1ncc(C(OC)=O)cc1	43
+CN(C)C(c1ccc(Cl)nc1)=O	1558
+CN(C)c1ccc(cn1)Br	361
+CN(C)CC1CC1c2ccc3c([nH]cc3)c2	61
+CN(C)C(COc1cc(ccc1)I)=O	10
+c1cc(ccc1)C(=O)N2CCN(CC2)c3c(nnc(N(C)C)c3)-c4ccccc4	212
+CN(C)CCOc1cc(-c2ccccc2)on1	28
+c1ccccc1C=2c3c4c(c(OCC)cc3CC(CNC(=O)CN(C)C)(C)N=2)OC(C)(C)C4	224
+c1ccccc1CCNc2c3c(ncn2)sc(C(N(C)C)=O)c3	867
+CN(C)C(=O)C(NC(=O)OCc1ccccc1)CO	10
+CN(C)C(=O)C1Cc2ccc(cc2NC1=O)NC(=O)OCc3ccccc3	2561
+C1C(CC1C(=O)N(C)C)n2cc(c3c(N)ncnc23)-c4cccc(c4)OCc5ccccc5	10
+c1ccccc1COc2c3n(CCOC)c(C)nc3cc(C(=O)N(C)C)c2	30
+CN(C)C(=O)c1cc(C=C)ccc1OCc2ccccc2	30
+c1ccccc1Cn2c3nc(N(C)C)nc(N)c3nc2	117
+c1ccccc1N2C(C(CC2=O)CN(C)C)c3cccc(OC)c3	236
+c1ccccc1Oc2cccc(Oc3ccccc3)c2C(=O)N(C)C	115
+CN(C)c1nccc(-c2c(nc3ccccn23)C(=O)OCC)c1	361
+CN(C)c1nc2n(ccc(Br)c2)n1	3858
+CN(C)Cc1onc(n1)-c2c3n(cn2)-c4c(c(ccc4)Cl)C(N(C)C3)=O	960
+CN(C)C(Cc1c(Cl)cc(OCCC2C(C3CCN(CC3)c4ncc(cn4)COC)C2)cc1)=O	10
+CN(C)C(=O)c1cn2c(nnc2c(NCc3c(cccc3CC)C)c1)C	211
+CN(C)c1cc(ncn1)Cl	54
+CN(C)c1c2c(c3ccccc3s2)nc(Cl)n1	2094
+CN(C)c1ccc(cn1)-c2nc3ccc(OC)cn3c2	361
+c1(c(c(Cl)ccc1CNC(c2c(Cl)c(C(=O)NC)c[nH]2)=O)Oc3cc(Cl)cc(C#N)c3)F	658
+CNC(C(=NO)c1c(cccc1)C)=O	8596
+O=S(=O)(N(C)CCC#Cc1cccc(CF)n1)c2c(cccc2)Cl	92
+N1C(NC2C(CCCCC(=O)N(C)CCCCCC(OC)=O)SCC12)=O	10
+C1CCCC1c2noc3c(O)nc(nc23)-c4c(ccc(c4)S(=O)(=O)N(CCc5cc(OC)c(cc5)OC)C)OCC	92
+S(=O)(C)COc1cccc(CNC)c1	2978
+c1cc(Br)c(Cl)cc1CN(C(C)=O)C	10
+O=S(=O)(N(Cc1cc(Cl)c(cc1)Br)C)C	112
+Clc1cc(ncc1)-c2cc(cc(n2)CN(Cc3ccccn3)C)O	1309
+Clc1ccc2cnc(cc2c1CC(OC)=O)C	8597
+n1c(OC)c(nc2cc(cc(C)c12)F)OC	8598
+c1(nc(OC)c(c(n1)Cl)SC)OC	2901
+c1ccccc1C=Cc2cc(OC)nc(OC)n2	2901
+O(C)c1nc(ncc1OC)Cl	145
+c1(C(=O)OC)cccc(Br)c1OC	47
+COc1cc(C(=O)OC)c(cc1Br)Cl	128
+O(C)c1cc(CCNC(C)=O)c2c(ccc(OC)c2)n1	1155
+c1cc(cc2nc(c(nc12)Cl)OC)OC	1534
+COc1cccc(c1)C2(CC)C(=O)N(CCCC2)CCO	1745
+C[Si](C)(C)OC(c1csc(C)n1)C(=O)OC	8599
+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC)(c2ccc(Cl)c(Cc3ccc(cc3)OC(F)(F)F)c2)OC1CO[Si](C)(C)C	2979
+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC)(OC1CO[Si](C)(C)C)c2ccc(Cl)c(Cc3ccc(cc3)OCC(F)F)c2	2979
+C[Si](C)(C)OCC1OC(c2cc(c(cc2CCCOCC#CC)Cl)Cc3ccc(cc3)OCC)(C(C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)OC	8600
+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(C(OC)(OC1CO[Si](C)(C)C)c2cc(c(Cl)cc2)Cc3ccc(cc3)COC4CC4)O[Si](C)(C)C	2979
+C[Si](C)(C)c1c(cc(c(F)c1F)C(=O)OC)Br	128
+C[Si](C)(C)c1ccc(c(F)c1)Nc2c(ncc(Cl)n2)C(OC)=O	128
+Cc1c2n(NC(=NC2=O)c3cnc(OC)cc3)c(C)n1	91
+C(c1ccc(c(c1)F)Cc2c(NCCCCC)nc(nc2C)N)C(=O)O	479
+Cc1nc(nc(c1CC(OC)=O)O)S	27
+Cc1ncc(C(=O)OC)c(OC)c1Cl	260
+N#Cc1[nH]cc(c1)C(=O)OC	4467
+Ic1cc([nH]c1)C(=O)OC	4544
+c1cc(ccc1-c2c(-c3ccccc3)c4CCCn4c2C(OC)=O)Cl	8601
+c1(ccc(cn1)C(=O)OC)COC	2702
+c1cc(ccc1Cl)-n2c(c(nc2CC(OC)=O)Br)-c3c(cccc3F)F	8602
+Clc1c(cc(F)c(C)c1[N+](=O)[O-])C(=O)OC	47
+Clc1c(C(OC)=O)cc(c(Cl)n1)F	342
+C(=O)(c1cc(Cl)c([N+]([O-])=O)cc1C)OC	47
+Clc1c(C#N)c(COC)nc(c1)Cl	1896
+Clc1cc(C(=O)OC)c(c(c1)O)C	47
+C(=O)(c1cc(I)c(C)cc1Cl)OC	47
+O(c1cc(C)nc(NC)c1[N+](=O)[O-])C	260
+COc1c2C(CCCc2nc(Cl)c1)=O	260
+Clc1cc(c(C(=O)OC)cc1)O	47
+Clc1cc(c(C(=O)OC)cc1)S	47
+S(C)c1cc(c(cc1[N+]([O-])=O)Cl)OC	556
+C(=O)(c1cc([N+]([O-])=O)c(cc1Cl)O)OC	128
+Clc1cc(C(=O)OC)c2c(NCCO2)c1	47
+Clc1cc(C(=O)O)cc(OC)c1	556
+C1CC1c2c(cc(cc2Cl)NC(=NC#N)SC)Cl	2980
+c1(C(=O)O)cc(OC)nc(Cl)c1	91
+Clc1cc(Br)cc(OC)c1	57
+c1(nc(N)cc(OC)c1)C	260
+Clc1ccc(C(c2oc3cc(ccc3c2COC)Br)=O)c(Cl)c1	8603
+Clc1ccc(c(-c2oncc2CCC(OC)=O)c1)Cl	27
+Clc1ccc(c(I)c1)CC(OC)=O	27
+Clc1ccc2c([nH]cc2C(=O)OC)c1	342
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=C)=O	167
+Clc1cccc(c1)C(=O)c2c(C(=O)OC)cccn2	128
+Clc1cccc(C(O)C(OC)=O)c1	27
+Clc1cnc(Cl)c(C(=O)OC)c1	128
+O(c1ncc(Cl)cc1[N+](=O)[O-])C	91
+FC(F)(F)OCCn1cc(c2c(cccc12)Br)C(=O)O	2981
+c1(c2c(C)ccc(F)c2n(CCOC)c1)C(=O)O	2981
+c1c(Br)c2c(c(c[nH]2)C(=O)O)c(F)c1	2981
+FC(F)(F)C1(CCC(CC1)(C(OC)=O)N)OC	27
+FC(F)(F)C=1N(C(=O)N(C(C=1)=O)c2cc3c(cc2)snc3-c4c(COC)ccs4)C	8604
+FC(F)(F)CN=C(N)Nc1nn(CCCCC(=N)OC)cn1	1664
+FC(F)(F)COc1cc(ccc1[N+]([O-])=O)CC(OC)=O	1643
+Cc1cc(cc(C)c1Cc2ccc(c(c2)C(C)C)OCOC)C(OC)=O	2982
+C1CC(CCN1CCC)c2cccc(C(OC)=O)c2	2982
+C1CC(CCN1Cc2ccccc2)(c3cc(OC)ccc3)c4ccc(cc4)C(OC)=O	2982
+FC(F)(F)c1c(-c2cc(on2)CC(=O)OC)ccc(C3CC3)c1	167
+FC(F)(F)c1c(C=O)ccc(c1)N	1179
+FC(F)(F)c1c(C(C(OCC)C(OC)=O)O)ccc(OCc2ccccc2)c1	4545
+FC(F)(F)c1c(F)cc(cc1)CC(OC)=O	27
+FC(F)(F)c1c(OC)cc(cc1)C(=O)O	57
+FC(F)(F)c1c(OC)nc(c(c1)-n2c(ccc2C)C)C(=O)OC	226
+FC(F)(F)c1n(nc(-c2cc(c(cc2F)[N+]([O-])=O)OC)c1Cl)C	57
+FC(F)(F)c1c(c(C=O)cc(-n2c(nc(c2)C)C)c1)N	1179
+FC(F)(F)c1cc(ccc1C)C(OC)=O	47
+FC(F)(F)c1c(ccc(NC(Nc2c(cc(cc2)Oc3ccnc(C(=O)OC)c3)F)=O)c1)Cl	226
+FC(F)(F)c1cc(ccc1CC(OC)=O)Cl	27
+FC(F)(F)c1cc(Nc2nc(cc(COC)c2)Br)ncc1	149
+FC(F)(F)c1cc(Oc2cc(C(OC)=O)ccc2)ccc1	47
+FC(F)(F)c1cc(c(c(-n2c(Br)nc(c2)C)c1)[N+]([O-])=O)OC	57
+FC(F)(F)c1cc(C(=O)OC)cc(c1)[N+](=O)[O-]	47
+FC(F)(F)c1ccc(C=O)c(c1)OC	57
+FC(F)(F)c1ccc(N)c(c1)C(=O)OC	47
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(cc2)CC(=O)OC	27
+FC(F)(F)c1ccc(cc1)-c2ccc(c(COC)n2)C(OC)=O	1896
+FC(F)(F)c1ccc2c(c1)cc(C(=O)OC)[nH]2	226
+FC(F)(F)c1cccc(-c2nc3c(cc(cc3)Br)c(C(=O)OC)c2C)c1	128
+FC(F)(F)c1c(c(C(OC)=O)ccc1)C	47
+FC(F)(F)c1c(c(Cl)ccc1)C(OC)=O	128
+FC(F)(F)c1cccc(c1)Oc2cc(Cl)ccc2C(OC)=O	47
+FC(F)(F)c1ccccc1CNC(=O)C2CCN(CC2)c3nc(nc(N4CCN(CC4)C)n3)OC	2221
+FC(F)(F)c1n(nc(-c2c(cc(c(c2)[N+](=O)[O-])OC)F)c1Cl)C	57
+FC(F)(F)c1cc(C(OC)=O)n(n1)-c2ccccc2	128
+FC(F)(F)c1nn2c(c(ccc2OC)C=O)c1	8605
+FC(F)Oc1cccnc1OC	91
+FC(F)Oc1c(c(nn1C)-c2ccc(c(c2)COC)Cl)Cl	149
+Fc1c(F)c(c(F)c(F)c1C(OC)=O)N	47
+Fc1cc(c(F)cc1C)C(OC)=O	279
+c1(OC)cc(C(=O)O)cc(c1)F	57
+c1c2c(cc(-c3cc(c(NC(N)=O)[nH]3)C(=O)N)cc2)ccc1	8606
+Clc1cc(cc(Cl)c1C#N)NC(SC)=NC#N	2980
+O=S(=O)(c1ccc(cc1)NC(SC)=NC#N)N	2980
+N#Cc1cc(F)c(cc1F)CC(OC)=O	27
+N1(C=CC=C(C1=O)C(=O)NC(CC(OC)=O)c2sccc2)Cc3ccc(F)c(F)c3	27
+N1(c2c(C(=O)N(c3ccc(nc13)F)C)cc(CCO)cn2)CC	1745
+N1(c2ncc(cc2C(Nc3c1nc(cc3C)Cl)=O)CCO)CC	1745
+N1=NN(c2cccc(Br)c2COC)C(=O)N1C	149
+COC=1N=C2N(C=CC=C2)C(C=1Br)=O	8607
+O(C(=O)C1CCCCC1N)C	27
+Nc1c(c(c(C(=O)OC)cc1)C)[N+]([O-])=O	128
+Nc1c(c(cc(c1)C(=O)OC)O)I	128
+Nc1c(c(C(=O)OC)ccc1)Br	47
+Nc1c(c(C(=O)OC)ccc1)F	47
+Nc1c(C(=O)OC)ccc([N+]([O-])=O)c1	128
+Nc1c(cccn1)C(=O)OC	342
+Nc1c(ccnc1)C(=O)OC	128
+Nc1c2CCOc2c(cc1Cl)C(=O)OC	128
+Nc1cc(ccc1F)C(=O)OC	128
+O(c1nc(Cl)cc(N)c1[N+](=O)[O-])C	91
+Nc1cc(c(C(=O)OC)cc1Cl)O	128
+Nc1cc(C(=O)OC)c(cc1)O	47
+Nc1cc2CCCC(c2cc1)C(OC)=O	27
+Nc1ccc(cc1[N+]([O-])=O)C(=O)OC	47
+O=S(=O)(N(CCNc1cccnc1C(OC)=O)C)C	3662
+c1(N)nc(ccn1)-c2c(c3cc(ccc3s2)Cc4cc(C(=O)O)ccc4)C	1983
+C(c1cc(OC)cc(F)c1)C(=O)O	479
+O(C)c1cc(cc(OC)c1OC)CC(=O)O	479
+c1(OCCCCC(=O)O)c(c(O)c(cc1)C(c2c(O)cccc2)=O)CCC	8608
+c1(cccc(Cl)c1Nc2cscc2CC(O)=O)Cl	479
+c1(C(=O)O)cc(ccc1)-c2ccc3COB(c3c2)O	1983
+c1c(cc(c(c1)CC(=O)O)F)Br	479
+c1c(cc(c(c1)CC(=O)O)OC)Br	479
+c1cc(ccc1)CN2c3nc(nc(N)c3NC2=O)CC(OC)=O	2418
+c1cc(ccc1CC(=O)O)Cc2c(C)nc(N)nc2NCCCCC	479
+c1cc(ccc1C(C(=O)O)C)CC=C(C)C	479
+c1ccccc1COc2c(ncc(OCc3ccccc3)c2)C(=O)O	2828
+C1CC(CCO1)(c2cnc(nc2)C)C(=O)O	479
+c1ncncc1Oc2cc(C(=O)O)nc(C)c2	2828
+n1(-c2cc3CC(Cc3cc2)C(=O)O)c(C)nc4cnccc14	479
+c1cnn(n1)-c2c(cccc2F)C(=O)O	1983
+c1(cc[n+]([O-])c(C)c1OC)OC	857
+c1(O)c(C(=O)OC)cc(Br)c(OC)c1F	128
+O(C)c1sc(C(=O)OC)cc1	128
+O(CCc1cccc(F)c1)CC(OC)=O	167
+c1ccnc(c1OC)OC	91
+O(C)c1cc(cc(OC)c1)C=C(C(OC)=O)c2ccc(cc2)O	3261
+O1C(CCC1CCCCCCCC(=O)OC)CCC(O)(CCCCC)C	27
+O1C(c2c(cc(cc2)CCO)C1)=O	1745
+c1(cc2c(cc1)N(C(=O)N(C2=O)CC)CC)C(=O)OC	2656
+c1cc(ccc1C(=O)OC)C(C)CCOC2CCCCO2	2656
+c1(c(cc(Cl)c(c1)C(=O)O)Cl)OC	57
+c12ccccc1c(cc(n2)C(=O)O)C(OC)=O	47
+c12c(cc([N+]([O-])=O)cc1C(OC)=O)cccc2	128
+O(C)C(=O)c1ccc(c(c1N)OC)OC	47
+c1c([N+]([O-])=O)c(c(c(F)c1C(OC)=O)F)N	128
+C1C2C3C(CCC2(C(=O)C1)C)c4c(CC3)cc(c(C(OC)=O)c4)OC(=O)C	128
+O=C1Nc2c(cccc2)CC1CC(=O)OC	167
+O=Cc1cc(cc(C)c1O)C(=O)OC	47
+O=Cc1cc(ccc1O)C(=O)OC	47
+c1(nc2c(cc1C=O)cc(Cl)c(OC)c2)OC	1155
+O=Cc1ccc(-c2ccc(cc2F)F)c(F)c1OC	57
+O=Cc1ccc(cc1O)C(=O)OC	128
+O(C)c1cnc(c(Cl)n1)C=O	799
+O=S(=O)(C)Nc1c(c(ccc1)CC=O)C	8609
+O=S(=O)(C)c1ccc(Oc2cc3cc([nH]c3c(O)c2)C(=O)OC)cn1	128
+O=S(=O)(C)c1ccc(Oc2cc(OC)c3c(cc(C(OC)=O)[nH]3)c2)cn1	2824
+O=S(=O)(C)c1cc(c(cc1)C(=O)OC)Cl	47
+O=S(=O)(C)c1cccc(c1)-c2ccc(-c3cc(nn3-c4ccccc4Cl)CC(OC)=O)s2	1838
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCO	1745
+O=S(=O)(c1cc(C(OC)=O)c(O)cc1)C2CC2	47
+C1CCC1S(=O)(=O)c2ccc(Br)c(c2)OC	57
+O=S(=O)(CC)c1ccc(Br)c(OC)c1	57
+O=S(=O)(Nc1ccc(c(c1)C(OC)=O)F)CCC	47
+O=S(=O)(N)c1cc(c2OCCOc2c1)C(OC)=O	47
+O=S(=O)(N)c1ccc(c(C(=O)OC)c1)O	128
+O=S(=O)(NC)c1ccc(c(C(OC)=O)c1)OC	1668
+O=S(=O)(NC)c1cc(c(O)cc1)C(=O)OC	128
+Fc1cccc(F)c1NS(=O)(=O)c2nn3c(n2)c(ccc3OC)OC	8610
+O=S(=O)(c1nc2nc(cc(n2n1)OC)C)Nc3c(ccc(C)c3Cl)Cl	8611
+c1c(C)c(c(cc1C)C)CC(NC2(CCN(CC2)OCC)C(OC)=O)=O	1838
+O=S(=O)(c1c(ccc(c1)C(OC)=O)Br)Cl	47
+O=S(=O)(N1CCN(CC1)C)c2ccc(c([N+](=O)[O-])c2)OC	556
+O=S(=O)(N)c1cc(cc(C)c1OC)[N+]([O-])=O	57
+O=S(=O)(Nc1ccc(C(OC)=O)c(c1)O)c2cc(ccc2)-c3cc(OCC)ccc3	47
+O=S(=O)(c1ccc(nc1)C=Cc2ccc(cc2F)F)c3cccc(c3)C=O	1179
+O=S(=O)(c1cc(CC(=O)OC)ccc1)C	27
+c1(nccs1)CN2c3cnc(c(O)c3C=C(Br)C2=O)C(=O)OC	3843
+O=S(=O)(c1ccc(cc1)NC(=O)Nc2cccc(C(=N)OC)c2)NCc3c(c(ccc3F)F)F	3703
+O=S(=O)(c1cnc(Oc2cc3c([nH]c(c3)C(=O)OC)c(O)c2)cc1)C	128
+O=S(=O)(Nc1cncc(Cl)c1O)c2cnc(OC)c(Br)c2	91
+O=S(=O)(C)c1nccc(C(CC(OC)=O)NC(c2cncc3c2cnn3-c4ccc(cc4)F)=O)c1	167
+c1([N+]([O-])=O)cccc(c1C#N)OC	1118
+c1cc2[nH]c(cc2cc1)C(OC)=O	226
+c1ccccc1C=2c3c(ccc(Cl)c3)-n4c(nnc4CN=2)CC(OC)=O	4471
+c1cc(ccc1I)C(C)C(OC)OC	8612
+O(C)C(OC)(CC(=O)Nc1cccc(OCc2ccccc2)c1)C	8613
+Oc1c(CC(OC)=O)cccc1	27
+Oc1c(ccc(c1)C(CCCC(OC)=O)=O)O	27
+C(c1cccc(C)c1O)(=O)OC	47
+c1(c(cc(c(C)c1)C(=O)O)[N+]([O-])=O)OC	1118
+c1(c([N+]([O-])=O)cc(F)c(c1)Br)OC	57
+C(=O)(OC)C(C)c1cc(c([N+]([O-])=O)cc1F)F	27
+[N-]=[N+]=NC(CCCCOCc1cc(C)c(F)cc1)C(OC)=O	167
+C(C(=O)OC)(C)c1ccc2Sc3c(cc([N+]([O-])=O)cc3)CC(=O)c2c1	27
+O(c1cc[n+]([O-])c(CCC)c1)C	1210
+COc1c2c([nH]cc2)ncc1	3876
+[nH]1nc(C(=O)OC)c([N+](=O)[O-])c1	226
+[nH]1nc(cc1)C(=O)OC	226
+c1(-c2noc(n2)C)cc(ccc1)C(=O)OC	47
+c1(Br)cccc(F)c1C(=O)OC	47
+c1(Br)cccc(C(=O)OC)c1C	47
+Oc1c(CNc2cncc(OC)n2)cccc1	1335
+Cc1c(c(I)ccc1)C(=O)OC	128
+c1(c2cccnc2[nH]c1)C(=O)OC	342
+c1(cc(Br)c(C)s1)C(=O)OC	1532
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+c1cccc(Sc2c(cccc2)OC)c1C(OC)=O	128
+c1(Cl)c(Cl)ncc(c1)C(=O)OC	342
+n1cc(N)cc(c1)C(=O)OC	342
+c1(C(C(C(=O)OC)N)C)[nH]cnc1	27
+c1(C)c2c(ccc1)c(OC)ncc2Br	91
+c1(C)cc(ccc1F)C(OC)CC(CC=C)C(OC)=O	27
+c1(nc(nc(c1)C(=O)OC)OC)C	482
+c1(C)cc(C)c(c(OC)n1)C#N	91
+O(c1c(Cl)nccc1)C	2824
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+c1(Cl)c(cccn1)C(=O)OC	342
+n1cccc(C(=O)OC)c1OC	91
+COc1c2CCCc2ncc1	260
+c1(Cl)cc(c(OC)c(c1Cl)I)C(=O)C	1668
+c1(Cl)cc(C(=O)OC)c(OC)cc1O	47
+c1(c(OC)ncc(c1)C(=O)OC)[N+]([O-])=O	91
+c1(F)c(Cl)cc[n+]([O-])c1CO	3987
+c1(F)c(F)c(c(cc1)CC(OC)=O)C	27
+O=Cc1ccc(Br)c(F)c1OC	57
+O=C(C(=O)C=Cc1ccc(c(F)c1)Br)OC	4546
+c1(N)ccnc(c1)C(=O)OC	226
+c1(N2C(CC(C(OC)=O)C2)=O)ccc(c(C)c1)O	27
+c1(NC(C)=O)c(c(c(cc1)Br)C(=O)OC)[N+]([O-])=O	128
+O=Cc1ccc(NC)nc1	8614
+c1(OC)cc(cc(Br)c1)C(=O)OC	128
+O(c1cc(cc(OC)c1)CC(=O)OC)C	167
+COc1cc(Cl)c([N+]([O-])=O)cc1F	57
+COc1cccc(F)c1[N+]([O-])=O	20
+C(=O)(c1c(C)ccc([N+]([O-])=O)c1)OC	47
+C(=O)(OC)c1ccc([N+]([O-])=O)cc1C	47
+C(c1ccc([N+]([O-])=O)cc1O)(=O)OC	47
+c1([N+]([O-])=O)ccc(nc1)C(=O)OC	226
+c1([N+]([O-])=O)cccc(C(C(OC)=O)N)c1	27
+c1([nH]nc(c1)[N+](=O)[O-])C(=O)OC	226
+c1(c(Br)c(C)cc([N+]([O-])=O)c1)CC(OC)=O	27
+c1cc2c(N(C(=O)C=C2)C)c(c1OC)Br	57
+c1(c(Br)cc(c(C(OC)=O)c1)F)F	47
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+c1(c(cc(c(N)c1Cl)[N+](=O)[O-])C(=O)OC)F	128
+COc1c(Br)c[n+]([O-])c(c1C)C	1210
+COc1c(c(ncc1C)CO)C	260
+c12c(OC)ccnc1c([N+]([O-])=O)c(Cl)cc2	260
+c1(c(F)ccc(c1)C(=O)OC)[N+]([O-])=O	47
+c1(c(F)ccc2ncc(nc12)OC)C	1534
+c1(c(F)nc(c(Cl)c1C=O)F)Cl	1179
+COc1c(N)nc2c(ccc(C)c2)n1	1534
+C(c1c(c(F)ccc1)F)(=O)OC	47
+c1c(c(c(c(c1)[N+]([O-])=O)CC(=O)C)F)OC	57
+c1(c(cc(C(=O)OC)c(C)c1)[N+]([O-])=O)OC	47
+c1(c(cc(CC(OC)=O)cc1)Cl)Cl	27
+c1(c(ccc(C)c1C(=O)OC)O)F	128
+O(C)C(Cc1c(cccc1)I)=O	27
+c1(c(C(=O)OC)cccc1Cl)Br	128
+c1(c2ccc(cc2cnn1)-c3c(C)ccc(c3)C(=O)OC)O	47
+C=1C(=C(C([NH+]([O-])C=1)=O)C)SC	8615
+c1cccc(c1C(OC)=O)C(c2cc([N+](=O)[O-])c(Cl)cc2)=O	47
+O(C)c1c(NC(=O)C)c(F)cc(Cl)c1[N+](=O)[O-]	57
+O(C)c1c(NC(OCC)=O)c(F)cc(Cl)c1[N+](=O)[O-]	57
+O(C)C(Cc1cc(c(Cl)cc1Cl)OC)=O	167
+c1(cc(C(=O)OC)c(cc1Br)Cl)F	47
+c1c(C)c(c(cc1C(=O)OC)C)OC	128
+c1(OC)cc(cc([N+]([O-])=O)c1)C(=O)O	1118
+c1c(C(OC)=O)nccc1-c2ccc3cc(OC)ccc3c2	128
+C(=O)(c1ccc([N+]([O-])=O)cc1F)OC	47
+c1(ccc(cc1Br)OC)CC(OC)=O	27
+c1(cccc(Cl)c1C(Cc2c(cc(Cl)cc2)Cl)C(=O)OC)Cl	27
+C(c1cccc(Cl)c1[N+]([O-])=O)(=O)OC	47
+C(c1cccc([N+]([O-])=O)c1F)(=O)OC	47
+c1(ccccc1Cl)C(N)CC(OC)=O	27
+c1(ccnc(OC)c1Br)C	91
+c1(nc(N)c2c(n1)n(C3CCCCO3)c(OC)n2)NC(CCC)C	1010
+c1(nnc(Cl)cc1OC)N	8616
+c12c(ccc(c1)O)C(CC2)C(OC)=O	1643
+n1c(OC)c2c(cc1OC)c(Br)ccc2	91
+c12c(OC)nc(Cl)cc1c(Br)ccc2	91
+c12c(ccc(c1cccc2)C(C(CCCC(=O)OCC)O)=O)F	3409
+c12cc(C(=O)OC)[nH]c1cc(cc2)O	226
+c1(c2c(cc(c(OC)c2)F)c(nc1)O)OC	8617
+c12ccc(cc1[nH]c3c(ccc(Br)c23)C(=O)N)COC	2868
+c12ccc(c(c1occ2CC(OC)=O)Cl)O	27
+c1(C(=O)OC)c[nH]c2c(ccc(F)c12)Br	342
+c1(OC)cc(cc(Br)c1)C(=O)O	2983
+c1c([N+]([O-])=O)cc(N)cc1C(=O)OC	47
+c1c(cc(cc1C(=O)OC)O)Br	47
+c1c([N+]([O-])=O)cc(cc1C(=O)OC)O	47
+c1c(Br)c(Cl)ccc1C(=O)OC	47
+c1c(Br)c(F)ccc1C(=O)OC	128
+c1c(Br)c(ccc1C(=O)OC)O	47
+c1c2CCCC(c2ccc1C(=O)OC)=O	47
+C(c1c(cc(C)c(Br)c1)O)(=O)OC	47
+COc1nc(cc(C)c1C(=O)OC)Cl	91
+Cc1cc(cc(C)c1O)CC(OC)=O	27
+c1c(OC)ccc(c1C)C	1668
+c1c(C)nc(cc1-c2nc(O)c3c(cc(cc3OC)F)n2)C	1111
+c1c(CC(O)C(OC)=O)cc(Br)c(c1)O	1643
+c1cc(ccc1)COc2cc(c(Cl)c(c2)Cl)OC	556
+COc1cc(cc(F)c1[N+]([O-])=O)Br	57
+c1(ncn(-c2c(F)cc([N+]([O-])=O)cc2OC)n1)C	57
+c1c(F)c(c(cc1[N+](=O)[O-])F)N2CCC(CC2)(COC)O	850
+Nc1cc(c(cc1F)C#N)OC	57
+c1(cc(cc(F)c1)-c2c(c(C)c(cc2C(C)O)Cl)C(=O)O)F	4547
+C(CCC(Nc1cccc(C)c1C)=O)(OC)=O	167
+c1c(Nc2c(c(OC)cc(c2F)F)[N+](=O)[O-])c(F)cc(I)c1	57
+c1c(OC)c(Cl)ccc1C(=O)OC	128
+c1c(OC)c(cc(c1)C(=O)OC)O	47
+c1(OC)cc(Br)cc([N+]([O-])=O)c1	1118
+c1(OC)cc(ccc1[N+]([O-])=O)O	57
+c1c(c(O)c(Br)cc1Br)CC(OC)=O	27
+O1Cc2c(ccc(c2OC)Br)C1=O	8618
+c1c(CC(OC)=O)c(c(Cl)cc1)C	167
+c1c(c(Cl)cc(Cl)c1Cl)C(=O)O	4547
+C(c1cc(ccc1O)O)(=O)OC	47
+c1c(cc(C)c(C(=O)OC)c1)Br	47
+c1c(cc(OC)c(c1)C#N)Br	57
+c1c(cc(c(C(=O)OC)c1)O)Br	47
+c1c(cc([N+]([O-])=O)c(C(=O)OC)c1)Br	47
+c1c(cc(C(=O)OC)c(F)c1)F	47
+c1c(cc(c(Nc2c(C(=O)OC)cnc(OC)c2F)c1)F)Br	91
+c1c(cc(c(Nc2nc(ccc2C(=O)OC)Cl)c1)F)Br	342
+c1c(cc(c(Nc2c(C(=O)OC)cnc(Cl)c2F)c1)F)Br	128
+c1c(cc(c(Nc2c(C(=O)OC)ccc(OC)n2)c1)F)Br	91
+O(C)c1c(CCCO)cc(C(=O)OC)cc1OC	128
+c1c(cc(C(=O)OC)c(c1)O)F	47
+c1c(cc(cc1F)C(CC(OC)=O)N)Br	27
+c1c(cc(cc1[N+]([O-])=O)C(=O)OC)I	128
+c1c(cc2c(n[nH]c2c1)C(=O)OC)Br	226
+c1c(cc2c(c[nH]c2c1)CC(OC)=O)Br	167
+c1c(cc2c(c[nH]c2c1)CCC(OC)=O)Br	167
+c1c(cc2ccc(OC)nc2c1)Br	1155
+c1c(ccc(-c2oncc2CCC(OC)=O)c1F)F	27
+c1c(CC=O)ccc(C#N)c1OC	2984
+c1c(ccc2oc(C(=O)OC)cc12)O	8619
+c1c(cnc(c1F)C(=O)OC)F	128
+n1cc(Cl)c(cc1OC)-c2cc(cnc2N)F	91
+c1(ccc(F)c(Br)n1)C(=O)OC	226
+c1ccc(C(OC)=O)nc1-c2nc(Br)ccc2	226
+c1(nc(ccc1)C)C(=O)OC	226
+COc1nc(nc(C(=O)OC)c1)Cl	145
+c1(ccc2c(ccs2)n1)C(=O)OC	226
+COc1nnc(-n2nc(cc2-c3ncccc3)C(=O)OC)cc1	485
+c1c(oc(c1)C(=O)OC)C	128
+c1c(oc2c1cc(cc2)C(=O)OC)CC	47
+c1c2c([nH]cc2CCC(OC)=O)ccc1	27
+c1c2c(ccc1OC)cc(C(=O)OC)c(n2)-c3ccsc3	8620
+c1(c(CC)cccc1)CC=O	2984
+c1cc(ncc1Br)CS(=O)C	8621
+c1cc(O)c(nc1)C(=O)OC	226
+c1(OC)ccc(nc1OC)I	640
+C(c1ccc(Cl)nc1Cl)(=O)OC	342
+C(C=O)c1ccc(c(c1)F)C#N	2984
+c12cccc(OC)c1cccc2N	1668
+c1cc(cc(CCCCCC)c1OC)C(=O)OC	47
+c1cc(cc(N)c1)Oc2ccnc(C(OC)=O)c2	128
+c1ccccc1-c2c(c(C(OC)=O)c3c(cccc3)n2)C	279
+c1ccccc1-c2c(C(=O)OC)ccc(c2)Br	47
+c1cc(ccc1)-c2nc(c(c(C)n2)C(C(OC)=O)CCC)O	27
+c1cc(ccc1)C(C2CCCC2)C(=O)OC	27
+c1cc(ccc1)C(C(=O)OC)C2CCCCC2	27
+c1ccccc1C2N(C(CC2C(OC)=O)=O)C	167
+c1ccccc1COc2ccc(c(CC)c2)C(C(OCC)C(=O)OC)O	4545
+CC1(C)C(N(Cc2ccccc2)C(CO1)C(=O)OC)=O	167
+c1cc(ccc1)CN2N=CC(Cl)=C(C2=O)OC	8622
+C1CN(CCC1CNc2nccnc2OC)C(OCc3ccccc3)=O	799
+c1cc(ccc1)COc2c(Cc3c(OC)c(c(OC)c(c3C)OC)OC)cccc2C(=O)OC	128
+c1cc(ccc1)CN2c3c(c(nc(N(C)C)n3)N)NC2=O	8623
+c1ccccc1Cn2c(nc3c(N)nc(NCCOC)nc23)OC	1010
+c1cc(ccc1)N2C(c3cccc(c3)OC)C(C(OC)=O)CC2=O	27
+c1cc(ccc1)S(=O)c2ccc(nc2)OC	640
+c1cc(ccc1)Sc2c(cc(cc2)Br)C(OC)=O	47
+c1cc(ccc1Cl)-c2c(C(O)C(OC)=O)c(C)nc3[nH]c(c(C)c23)C	27
+c1cc(ccc1C)-c2cc(C(=O)OC)cc(c2)[N+]([O-])=O	47
+c1cc(ccc1-c2ccc(N)cc2C)C(OC)=O	47
+c1cc(ccc1-c2oc3c(cc(c(c3)N(c4cc(CC(=O)OC)c([N+](=O)[O-])cc4)S(=O)(=O)C)C5CC5)c2C(NC)=O)F	167
+c1cc(ccc1-c2oc3cc(c(cc3c2C(NC)=O)OC(C)C)CC(OC)=O)F	27
+c1cc(ccc1[N+]([O-])=O)-n2c(COC)nc(-c3c(noc3C)-c4ccccc4)c2	2130
+c1cc(ccc1Br)C2CC(CC2)(N)C(=O)OC	27
+c1cc(ccc1-c2nc3n(cc(cc3)C)c2)C=O	1179
+c1cc(ccc1CC(=O)OC)C#N	27
+c1cc(ccc1C=O)NCCCCCCCCCCCCCCCC	1179
+c1cc(ccc1C(=Cc2ccc(F)c(c2)C)C(OC)=O)O	2985
+c1cc(ccc1-c2ccc(N)nc2)C(OC)=O	47
+c1cc(ccc1C(C)(C)C(OC)=O)O	27
+c1cc(ccc1C(C)(C)CC(OC)=O)OC	167
+c1cc(ccc1C(C)C)NC(=O)c2ccc(nc2)OC	91
+CC(C)(C(OC)=O)CC(=O)c1ccc(cc1)Br	167
+c1cc(ccc1C(CCCC(=O)OC)c2cccnc2)CCNS(=O)(=O)c3ccc(cc3)Cl	27
+c1cc(ccc1C(NC(C(=O)O)CCCC(=O)OC)=O)F	167
+c1cc(ccc1C(OC)=O)-c2ccc(N)nc2C	47
+c1cc(ccc1CCCCCCCCCCCC)C(OC)=O	47
+c1cc(ccc1C(=O)OC)OCCCCCCOC	176
+c1ccccc1C(c2ccc(cc2)Br)C(OC)=O	27
+c1cc(ccc1-c2nc(OC)cc(n2)C)C	145
+c1cc(ccc1C=CC(=O)OC)C	2985
+c1cc(ccc1Oc2ccccc2C(=O)OC)C	47
+n1c(sc(-c2occc2)c1)Cc3c(Cl)ccc(C4OC(COC)C(C(O)C4O)O)c3	8624
+c1cc(ccc1C2C(C2)C(=O)O)Cl	8625
+c1cc(ccc1C=C(C)C(OC)=O)O	8626
+c1cc(ccc1C=CC(C(=O)OC)=O)-c2cc(OCC)ccc2	4546
+c1cc(ccc1C=CC(=O)OC)Cl	2985
+c1cc(ccc1COC)CC(=O)O	149
+c1cc(ccc1CC(=O)OC)CC(=O)NCCCc2c(nc(N)nc2C)NCCCCC	167
+c1cc(ccc1O)CC(C#N)C(OC)=O	167
+c1cc(ccc1CC(C(=O)OC)NC(C)=O)Br	27
+c1cc(ccc1CC(=O)OC)S(=O)(=O)C	167
+c1cc(ccc1CCC(=O)OC)F	167
+c1cc(ccc1CCNc2nc(nc(CO)c2)OC)OC	482
+c1cc(ccc1CC(OC)=O)CN(CCCN2C(Nc3c(nc(nc23)OCCCC)N)=O)CCCO	27
+c1cc(ccc1CNC(=O)c2c(O)c3c(nc2)c(cc(I)c3)OC)Cl	4548
+c1cc(ccc1COC(N2CC(O)CC2C(OC)=O)=O)OC	167
+c1cc(ccc1Cc2cccc(C(=N)OC)n2)Cl	4549
+c1cc(ccc1C(CO)=O)Cl	8627
+c1cc(ccc1CN2C(=O)C(OC)=NN(c3c(CO)cccc3)C2=O)Cl	4550
+c1cc(ccc1Cl)CN2C(C(=NN(C2=O)c3cc(NC(C)=O)ccc3)OC)=O	4550
+c1cc(ccc1CNC(=O)c2c(c3cc(c(c(OC)c3nc2)F)F)O)Cl	4548
+c1cc(ccc1Cl)S(=O)(=O)N2CCCC(Nc3nccc(-c4n5c(scc5)nc4-c6cccc(C(N)=O)c6)n3)C2	8628
+CC1(C)OC1(OC)c2ccc(cc2)F	2636
+c1cc(ccc1CN(C(CC(=O)C(OC)=O)=O)OC)F	2935
+c1cc(ccc1F)CNC(=O)c2c(O)c(OCc3ccccc3)c(C(=O)OC)nc2	226
+c1cc(ccc1F)CNC(c2cnc(c(c2O)OC)C)=O	1810
+c1cc(ccc1N)C(CCC(OC)=O)=O	167
+c1cc(ccc1CCCc2ccc(cc2)N)Nc3c(cccc3)C(OC)=O	47
+c1cc(ccc1N2CC(C(=O)OC)CC2=O)C	167
+c1cc(ccc1OCCCCCCOC)N2CCN(CC2)C(=O)C	176
+c1cc(ccc1Nc2nc(-c3nc(ccc3)OC)nc4ccccc24)Cl	640
+c1cc(ccc1C(=O)OC)Nc2ncnc(N(C)C)c2	128
+c1cc(ccc1Nc2c3c(cc(OC)c([N+]([O-])=O)c3)ncn2)Oc4ccccc4	724
+c1cc(ccc1O)-c2ccc(cc2)C(OC)=O	47
+c1cc(ccc1O)C(N)CC(OC)=O	27
+c1cc(ccc1O)CCCCCCCCC(OC)=O	27
+c1cc(ccc1OC)-c2nc(OC)nnc2-c3ccc(cc3)OC	8629
+c1cc(ccc1OC)-c2c(oc(n2)OC)-c3ccc(cc3)OCc4ccccc4	8630
+c1cc(ccc1CNc2cccc([N+]([O-])=O)c2C)Oc3ccc(cc3)CCC(OC)=O	167
+c1cc(ccn1)-c2cn(nc2-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F)C5CCN(CC5)C	2690
+c1cnccc1-c2c(nc(N)nc2-c3cc(F)ccc3)OC	145
+c1cc2c(CC(NC2)C(OC)=O)cc1F	27
+c1cccc(-c2cc([N+]([O-])=O)cc(C(=O)OC)c2)c1OC	47
+c1ccccc1-c2c(OC)ncc([N+](=O)[O-])c2	640
+c1ccccc1C(C)N2C(=O)CC(CC=C)(C2)COC	2868
+c1ccccc1C(=O)Nc2cc(c(cc2)OC)[N+](=O)[O-]	57
+c1ccccc1C(c2ccccc2)(C)C(C(=O)N)O	8631
+c1cc(ccc1)C(c2ccccc2)C(=O)OC	167
+c1ccccc1C(c2ccccn2)C(OC)=O	4473
+c1ccccc1C(C)n2c3nc(ncc3c(c2C)C(=O)NCc4c(cc(nc4O)C)C)OC	482
+C1CNCCC1(C(OC)=O)c2ccccc2	167
+c1ccccc1C=2c3cc(Br)ccc3C(=O)OC=2C(=O)OC	8632
+c1ccccc1CC(C(OC)=O)O	27
+c1ccccc1CCC(N)C(OC)=O	27
+c1ccccc1CCCCCC(OC)=O	27
+c1ccccc1CCCCCCC(C(=N)OC)O	1664
+c1ccccc1CN2CCc3nc(Cl)nc(OC)c3C2	145
+c1ccccc1COC(N2CCC34CCCCC3C2Cc5cc(c(cc45)O)OC)=O	669
+CC(C)CC(NC(=O)OCc1ccccc1)C(COC)O	850
+c1ccccc1COC(NCC(C(=O)OC)C)=O	27
+c1ccccc1COC(NC(CN)C(OC)=O)=O	27
+c1ccccc1COc2c3c(cc(Cl)c2)oc(-c4nc5n(nc(OC)s5)c4)c3	2867
+c1ccccc1COc2c3cc(oc3ccc2)-c4nc5n(c4)nc(OC)s5	2867
+c1ccccc1COc2c3n(CCOC)c(C)nc3cc(c2)C(=O)OC	47
+c1ccccc1COc2ccc(cc2)N3C(CC(C(=O)OC)C3)=O	167
+c1ccccc1COc2ccc3n(ccc3c2)CCC(OC)=O	167
+c1ccccc1Cc2cccc(C(=N)OC)n2	4549
+c1cc(ccc1)S(CC2CC(=O)N2)=O	8633
+c1cnccc1-c2c(-c3ccc(cc3)OCc4cc(OC)c5ccccc5n4)nn(c2)C	260
+c1cnccc1CNc2nc3c(c(N)n2)nc(OC)n3Cc4ccc(cc4)CO	1010
+c1nc(ncc1)-c2nc(c(Oc3c(OC)cccc3)c(OC)n2)N	145
+c1nc(ncc1O)-c2cccc(C(OC)=O)c2	47
+n1c2ccccc2c([nH]1)C(OC)=O	226
+n1c(Br)sc2cc(ccc12)C(=O)OC	47
+n1cc2ccccc2cc1COC	2702
+COc1nc(nc(Cl)c1)SC	145
+c1c(CSc2nc(Cl)cc(n2)OC)c(c(F)cc1)F	145
+COc1nc(ccc1F)F	430
+COc1ncc(C)c(c1C)I	430
+n1cc(ccc1-c2ccc3cc(OC)ccc3c2)C(=O)OC	128
+o1c2c(c(c1C(CCCCOC)=O)C)cc(OC)cc2	649
+o1c2c(cc(cc2)C(=O)OC)c(c1CO)C	128
+OB(O)c1cc(OC)c(cc1)F	493
+OB(O)c1cnc(cc1)OCCCCCC	493
+COB(O)c1ccc(nc1)OCCCCCC	493
+c1c(c([N+]([O-])=O)cc(-c2cc(OCC)ccc2)c1)CC(OC)=O	1540
+c1cc(ccc1OC)-c2cc3NC(=O)C(c3cc2)C(OC)=O	8634
+c1ccc(Nc2ccc3OCOc3c2)c(C(OC)=O)c1C(OC)=O	1215
+c1ccc(c(C(OC)=O)c1C(OC)=O)Nc2c(cccc2)OC	1215
+c1c(-c2c(c(C(OC)=O)sn2)C(=O)OC)cccc1C	8635
+O=C(C(c1c2c(ccc1)ccn2CC)=O)OC	8636
+CC1(C)OC2C(O1)C(Nc3nc(nc(OC)c3I)SC)CC2CO	1522
+CC1(C)OC(CO1)c2ccc3cccc(Br)c3n2	1522
+c1cc(ccc1Br)CC2OC(C)(C)OC2	1522
+c1cc(ccc1NC(=O)C(C(OC)=O)C(C)C)I	8637
+c1cc(ccc1CCCCO)OCC2OC(C)(C)OC2	1522
+c1ccccc1COc2ccc(cc2)CC3OC(C)(C)OC3=O	8638
+CC1(C)OC2CCCCC2N1c3nc4c(s3)cc(cc4)C#N	8639
+N#Cc1c(cc2c(C(=NC3=C(C)NNC3=N2)c4c(cccc4)Cl)c1)OCCOCCOC	8640
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(OCC)=O	730
+c12c3c(cccc3)ncc1nc(CCC)n2CCCC(OCC)=O	730
+c12c3c(cccc3)ncc1nc(CCC)n2Cc4cc(on4)-c5cccnc5	730
+c1cc(ccc1F)-c2noc(Cn3c(CCC)nc4cnc5cccnc5c34)c2	3838
+c1cc(ccc1F)-c2cc(Cn3c4c5ccccc5nc(Cl)c4nc3CCC)on2	730
+O=S1(=O)CC(n2c(CCl)nc3cc(cc(F)c23)Cl)CC1	8641
+COC(OC)C1(CC(c2c(c(O)c(C)c(c2O1)C)C)=O)C	2003
+c12c(cc(cc1)F)cnc(O)c2	4551
+O(C)C(OC)C1(Oc2c(c(c(O)c(C)c2C)C)CC1)C	165
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=4CC(ON=4)C(OC)OC	1820
+c1cc(ccc1-c2nn3c(c2-c4ccncc4)nccc3)F	8642
+O(C)C(OC)CN=C1c2ccccc2Nc3cc(Cl)ccc3N1	8643
+COc1nc2N(C(=O)C=Nc2cc1)CC=O	571
+c1cc(ccc1F)CN(CC(OC)OC)S(=O)(=O)c2ccc(cc2)C	92
+c1cc(ccc1-c2nc3c(cc(C4=NNC(=O)CC4CC)cc3)o2)OCC=O	571
+n1cc([N+]([O-])=O)cn1CC=O	571
+COC(OC)Cn1ncc2c1ccc(c2)Oc3ccc(cc3CN)F	107
+c1cc(cc(c1Oc2cc3cnn(c3cc2)CC=O)C#N)F	571
+CN(C)CCN(Cc1cc2c(N(C(Nc3ncc(C#N)c(NCCOC)c3)=O)CCC2)nc1C(OC)OC)C(C)=O	2861
+COC(OC)c1c(cncc1F)N	8644
+C1CC(CCC1)N(C(=O)OCc2ccccc2)c3cccc(Oc4ccc([N+]([O-])=O)c(C=O)c4)c3	1054
+COC(OC)c1c([N+]([O-])=O)ccc(Oc2cccc(N(C3CCCCC3)C(=O)OCc4ccccc4)c2)c1	1199
+COC(OC)c1c(N)c(ncc1F)C2CC2	2222
+COC(OC)c1cc(Br)c(nc1)CO	813
+c1(cc(Br)c(CO)nc1)C=O	8645
+c1cc(ccc1-c2ccc(cc2)NC(C=Cc3ccc(cc3)C(OC)OC)=O)Cl	1313
+c1cc(ccc1O)CCNc2nc(ccn2)-c3cccc(C(OC)OC)c3	96
+COC(OC)c1c[n+](c(c(Br)c1)C)[O-]	103
+O=Cc1ccnc(SC)n1	4552
+COC(OC)c1c(N2C(COCC2)=O)cc3CCCN(C(Nc4ncc(C#N)c(NCCOC)c4)=O)c3n1	2861
+O=S(=O)(OC(c1cc2c(nc1C(OC)OC)N(C(Nc3ncc(C#N)c(NCCOC)c3)=O)CCC2)C)C	7
+COC1CC(C(=O)O)COC1	4
+O=S(=O)(c1ccc(N2CCC(C2)OC)nc1)Cl	4553
+COC1CCN(c2ccc(N)cn2)C1	13
+c1cc(ccc1Cl)C2=C(OC)N=C3C=CC=CN3C2=O	8646
+c1cc(ccc1C(COC)(COC)C(OC)=O)O	2986
+O=S(=O)(c1cnc(Oc2cc(OC(COC)COC)c3[nH]c(C(OC)=O)cc3c2)cc1)C	1346
+FC(F)(F)C1=CC(N(C(N1C)=O)c2c(cc(Cl)c3c(c(oc23)C)C(=NOC)C)F)=O	8647
+FC(F)(F)COc1cc(c(C(CBr)=NOC)nc1)Cl	1213
+c1c([N+]([O-])=O)c(cc(c1)C(=O)OC)C=NOC	135
+Cc1ccc(C=NOC)cc1F	135
+c1(cc(cc(Cl)c1CCC=NOC)Cl)Cl	410
+CONC(=O)c1cc(OC)cc(C2=Cc3c(cc(nc3)NCC)N(C2=O)CC)c1	514
+c1ccc(cc1C#Cc2cncc(C=NOC)c2)OC	506
+c12c(cc(cc1)C=NOC)ncn2-c3cccc(c3)Br	135
+c1(cc(cc(Cl)c1CCC(C)=NOC)Cl)Cl	350
+c1c2ncn(c2ccc1)-c3ccc(C(=NOC)CCCC)s3	8648
+c1cc(ccc1C=CC(N(OC)C)=O)Cl	8649
+c1cc(ccc1C=NOC)F	135
+c1cc(ccc1C(C)=NOC)I	189
+c1cc(ccc1OC)C=NOC	135
+c1cc(ccc1OCC(=O)c2cccc(OC)c2)CC(OCC)C(=O)NOC	293
+c1ccc2C(=O)N(C(=O)c2c1)CC(c3ncc(OC)cc3Cl)=NOC	1213
+c1ccccc1-c2ccc(c(C=NOC)c2)CO	135
+c1ccccc1[Si](c2ccccc2)(N3C(CC3C=NOC)=O)C(C)(C)C	410
+c1ccccc1NC(=O)N(CCCCn2c3c4ncccc4nc(N)c3nc2CCC)OC	3693
+COP(OC)(CC(=O)C(CCCc1ccccc1)C)=O	3978
+O(C)P(OC)(C(OC)C(=O)O)=O	4
+C1CC2(CCC1=CC(=O)OC)OCCO2	1513
+Fc1cc(cc(F)c1C=CC(OC)=O)NC(OC(C)C)=O	4554
+C1CC(CCC1=CC(=O)OC)(c2ccc(cc2)Br)CO	1513
+c1cc(ccc1Oc2ccccc2C=CC(=O)OC)Cl	4554
+c1(c(O)c2c(COC2=O)c(c1OC)C)CC=C(C)CP(=O)(O)OC	1560
+n1cc(cnc1C)C(CC=CC(CCc2ccc3CCCNc3n2)=O)CC(OCC)=O	1278
+COP(OC)(Cc1cc2cc(Cl)ccc2nc1C)=O	8650
+COP(OC)(CC(=CCc1c(c(c2c(C(OC2)=O)c1O)C)OC)C)=O	8651
+c1cc(ccc1Cn2c(nc(OC)n2)Br)OC	8652
+COc1c(-c2cc(ncc2F)N)ccc(c1)F	2987
+C(c1cc(OC)nc(Nc2cc(c(cn2)F)-c3c(OC)cc(cc3)F)c1)SC	346
+FC(F)(F)c1cc(CSC)cc(Nc2ncc(F)c(c2)-c3c(OC)cc(F)cc3)n1	346
+O(c1c(-c2ccnn2C)cc(C(=O)O)s1)C	1
+O(C)c1c(Br)cnc(CO)c1C	813
+COc1c(cc(cc1C)Br)C(=O)O	1
+c1(CO)cc(cc(C)c1OC)Br	98
+O(c1c(CO)cc(F)cn1)C	295
+COc1c(C)cc(cc1C(=O)C)F	155
+COc1c(cc(cc1Cl)F)C(=O)C	155
+FC(F)(F)c1c(ccc(NC(=O)c2c(CCCCCCCCCCCCCCC)cccc2OC)c1)C#N	50
+C(c1c(cccc1F)OC)CC	414
+c1c2c(cc(cc2)-c3c4c(OC)c(ccc4[nH]n3)Br)ccc1	1216
+O(c1c(Cc2cc3c(s2)cccc3)cc(Br)c4c1cccc4)C	1429
+c1(c(OC)c(C)cc(c1)F)C(C)N	474
+c1cc(ccc1[N+](=O)[O-])Oc2cc(OC)c(C)cc2	46
+COc1c(C=C)cc(Cl)c(c1)C(=O)O	1
+FC(F)(F)C(c1cc(Cl)c(c(Cl)c1)Cl)C=Cc2cc(c(C(=O)O)cc2OC)Cl	2517
+Clc1c(cnc(c1C(c2c(c(OC)c(cc2C)OC)OC)O)OC)Br	2988
+C(c1c(cccc1Cl)OC)C(=O)O	1746
+c1(C)c(OC)c(Cl)c(CO)nc1	813
+FC(F)(F)c1cnc(c(O)n1)-c2cc(OC)c(Cl)cc2F	2989
+C(O)c1cc(c(Cl)cc1F)OC	49
+c1(c(O)c(F)c(cc1)C(=O)N)F	5
+c1cc(ccc1C2CC(NC(c3cc(c(cc3)F)OC)C)CC2)CC(OCC)=O	87
+c1cc(ccc1C#N)Oc2ccc(c(c2)OC)F	46
+FC(F)(F)c1cnc(cc1)NCC2N(CC(CC2)C)C(c3cccc(c3OC)F)=O	30
+COc1c(c(C)cc(c1)Br)C#N	2223
+C12C(OCO1)CN(C2)CCOc3c(OC)cc4c(ncnc4Cl)c3	126
+C(c1ccc2c(c(OC)c(cc2c1)OC)OC)O	49
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	159
+Oc1c(ccc(C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O)c1)O	2990
+c1(OC)cc(ccc1O)C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O	5
+c1c(N)cc(cc1)Oc2c3c(cc(OCCOC)c(OC)c3)ncn2	185
+FC(F)Oc1ccc(c(c1OC)OCOC)Br	1548
+COc1cccc(c1N)O	0
+c1cc(ccc1C2=Cc3c(OC2=O)c(OC)c(OC)c([N+]([O-])=O)c3)Cl	8653
+c1cc(ccc1CNC(c2c(OC)cc(cc2F)Br)=O)Cl	14
+c1(ccc(c(F)c1F)C(=O)c2cc(ccc2Cl)Br)OC	222
+COc1c(c(OC)cc(c1OC)C=O)OC	2224
+Cc1nn(C(C)c2cc(Cl)c(c(c2OC)-c3cc(C#N)ncc3)C)c4c1c(ncn4)N	2649
+O(C)c1c(c(I)c(c(c1N)C(=O)N)C)F	8654
+COc1cc(cc(NC)c1N)Br	0
+c1cc(ccc1)COc2cc(F)cc(OC)c2[N+](=O)[O-]	22
+c1(c(c(N)c(OC)c(F)c1)C(=O)O)C	4555
+c1(c(cc(OC)c(c1)C(=O)O)-c2ccccc2OCC)Cl	134
+c1(cc(C(=O)O)c(cc1-c2ccccc2F)OC)Cl	134
+COc1c(cc(c(CCO)c1)F)C#N	95
+[N+](=O)(c1cc(c(cc1OC)CCN)OC)[O-]	77
+Nc1c(C(=O)C)cc(c(c1)CC)OC	0
+COc1c(cc(F)c(c1)CC=O)C#N	24
+c1ccccc1-c2nc3c(nc2)cc(c(OC)c3C(OC)=O)Br	8655
+c1(c(ccc(c1)C(=CC)c2ccc(OC)c(c2)[N+](=O)[O-])OC)OCC	8656
+c1(cc(C)c(OC)c(c1)C(=O)O)-c2cc(F)ccc2	11
+c1(cc(cc(Cl)c1OC)F)C(C)N	474
+c1n(c(nc1)Sc2ccc(cc2Cl)Nc3c4c(cc(c(OC)c4)F)ncc3C#N)C	179
+CC(C)c1ccc(nc1OC)N	1747
+NC(=S)Nc1cc(c(cc1)-n2cnc(Cl)c2)OC	1099
+c1(NC(C)=O)c(C(=O)C)cc(c(OC)c1)CC	94
+c1ccccc1C#CC(c2ccc(c(c2OC)OC)[N+]([O-])=O)O	8657
+c1c(c(C2(O)C(=O)Nc3ccc(I)cc23)ccc1)OC	4556
+c1cc(ccc1)CN2CC3C(O)(c4c(cccc4)OC)C(CCC3C2)C	1035
+c1c(c(OC)c(Br)cc1)CO	49
+O(c1c2C(CCCc2nc(Cl)c1)O)C	652
+COc1c2CCCc2ncc1[N+]([O-])=O	1026
+Oc1c([N+]([O-])=O)cnc2CCCc12	5
+COc1cccc2c(C(=O)C)c[nH]c12	432
+O(c1c2n(ncc2)cc(Br)c1)C	4557
+c1cc(ccc1OC2Cc3c(c(ccc3C2=O)C)OC)[N+]([O-])=O	8658
+c1cc(ccc1)S(=O)(=O)n2c3c(c(OC)ccn3)cc2	276
+c1(Cn2nc(N)c3c(cccc23)OC)ccc(OC)c(c1)F	823
+COc1c(C(c2sc3c(cccc3)c2)O)cc(c4c1cccc4)Br	2991
+COc1c2c(C#N)cnn2cc(c1)Br	4558
+COc1c(C)ccc2cnc(Cl)nc12	511
+C[Si](C)(C)C#Cc1cnn2c1c(OC)cc(-c3cn(C)nc3)c2	8659
+COc1cc(-c2cnn(C)c2)cn3ncc(I)c13	8660
+c1cc(ccc1)CSc2c(cc(Nc3cc(Cl)c(cc3OC)Br)c(c2)C=CC(=O)OCC)F	1215
+c1cc(ccc1-c2c(Cl)c3c(c(c2)OC)NC(C3=O)=O)F	11
+c1cc(ccc1CON=C(c2c(Br)cc(c(O)c2)OC)C)[N+]([O-])=O	189
+Nc1cc(OCCOC)c(OC)cc1C#N	0
+Nc1cc(OCC#C)c(OC)cc1C(=O)OC	0
+Nc1cc(OCCOC)c(OC)cc1C(=O)OC	0
+COc1c(C=C)cc(Cl)c(C(=O)OC)c1	2225
+c1c(OC)c(Cl)ccc1C(=O)O	820
+N#Cc1ccccc1Oc2c(cc(cc2)C)OC	46
+COc1cc(CSC)cc(Cl)n1	639
+Nc1c(Cl)cc(OC)c(F)c1	0
+c1cc(ccc1C(=O)c2c(cc(OC)c(Br)c2)Cl)OCC	358
+O=S(=O)(Cl)c1c(OC)cc(c(C(=O)O)c1)OCC	240
+COc1cc(OCOC)c(cc1)C(N(OC)C)=O	280
+c1cc(ccc1OCc2ccccc2)C(c3c(OCOC)cc(OC)cc3)=O	1217
+[N+](c1cc(c(NC(C)=O)c(c1)O)Br)([O-])=O	5
+Nc1cc(c2c(CCC(=O)N2)c1)OC	0
+Nc1cc(c(cc1)-c2cnco2)OC	0
+Nc1cc(c(cc1)-n2cnc(CO)c2)OC	0
+Nc1cc(c(cc1)-n2cnc(Cl)c2)OC	0
+Nc1cc(OC)c(C)cc1	0
+O(C)c1c(-c2sc3c(cccc3)n2)ccc([N+]([O-])=O)c1	8661
+c1cc(ccc1)-c2noc(C)c2-c3oc(-c4c(cc([N+]([O-])=O)cc4)OC)nn3	2226
+Nc1cc(c(cc1)CC)OC	0
+COc1cc([N+]([O-])=O)ccc1-n2cnc(Cl)c2	2067
+COc1cc([N+]([O-])=O)ccc1-n2cnc(CO)c2	431
+c1(Cl)c(cc(OC)c(I)c1)-c2cc(F)ccc2	235
+Nc1cc(ccc1-c2cc(OC)ccc2F)C(=O)OC	0
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3ccc(c(Cl)n3)-c4c(F)ccc(c4)OC	328
+c1(I)c2c(n(C3CCCCO3)n1)cc(-c4c(CC)cc(OC)c(c4)F)cc2	580
+COc1c(c(cc(c1)Br)NC)[N+]([O-])=O	60
+c1c(OC)c([N+]([O-])=O)c(cc1C#N)F	180
+COc1cc(cc2n(nnc12)C)Br	2183
+COc1cc(cc(OC)c1)-c2cccc(c2)C(Nc3c(cccc3)-c4sc(cc4)C(OC)=O)=O	50
+COc1cc(cc(OC)c1)-c2cc(ccc2)C(=O)O	6
+COc1cc(cc(OC)c1)-c2cccc(c2)C(Nc3c(cccc3)-c4sc(cc4)C(O)=O)=O	1
+c1(OC)cc(cc(OC)c1)-c2ncc3c([nH]nc3c2)I	8662
+COc1cc(cc(OC)c1)-c2c3c(cc(cc3)OC)c(Cl)nn2	218
+C1CN(CCC1N2CCN(CC2)C)c3c(cc(Nc4ncc(cn4)CCc5cc(OC)cc(c5)OC)cc3)OC	8663
+CC(C)C(c1cc(OC)cc(c1)OC)(CC2CN(CCc3cc(OC)cc(c3)OC)CCC2)C#N	3851
+O(c1cc(cc(OC)c1)C(=O)Cc2ccnc(Cl)n2)C	4559
+O(c1cc(cc(OC)c1)C(c2cc(ccc2)OC)=CC#N)C	2719
+COc1cc(cc(OC)c1)C2=CC(c3ccc(cc3O2)OCC4OC4)=O	72
+c1cc(ccc1C(C(OC)=O)=Cc2cc(OC)cc(c2)OC)Oc3ccc(cc3)CO	41
+c1cc(ccc1Oc2ccc(cc2)C=C3SC(=O)NC3=O)C(C(OC)=O)=Cc4cc(OC)cc(c4)OC	377
+O(C)c1cc(cc(OC)c1)CC[N+]([O-])=O	364
+c1c(OC)cc(cc1CN2C(=C(c3ccccc3)c4c(ccc(Br)c4)C2=O)C(=O)OC)OC	8664
+c1(OC)cc(cc(OC)c1)Nc2c(-c3nnc([nH]3)Nc4cc(OC)cc(c4)OC)cccn2	8665
+O(C)c1cc(cc(OC)c1Br)CCl	229
+c1c(OC)c(c(cc1COC2CCC2)OC)B(O)O	422
+c1(cc(cc(OC)c1C(C)C)OC)OC	1382
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	171
+c1c(OC)c(c(cc1C2c3cc4c(OCO4)cc3C(C5C2COC5=O)N)OC)O	18
+O(C)c1cc(cc(OC)c1OC)-c2nccc(CO)c2	217
+O(C)c1cc(cc(OC)c1OC)-c2ncnc(C=O)c2	501
+COc1cc(cc(OC)c1OC)C(N2CCNC(C(OC)=O)C2)=O	115
+c1cc(ccc1C(c2cc(OC)c(c(OC)c2)OC)=O)OC	222
+O(C)c1cc(cc(OC)c1OC)C(=O)N(CCC2CCCN2C)CC(=Cc3ccccc3)C	8666
+c1c(OC)c(c(cc1Cc2sc3c(cccc3)c2)OC)OC	1429
+c1(cc(cc(OC)c1OC)CCC(=O)OC)OC	159
+c1(OC)cc(cc(OC)n1)CCc2cc(N)[nH]n2	4357
+c1c(OC)c(N)c([N+]([O-])=O)cc1C#N	180
+c1cc(C#N)c(cc1F)O	5
+c1cc(ccc1)-c2noc(C)c2-c3nnc(o3)-c4c(OC)cc(F)cc4	2226
+Clc1ccc(C(N(c2ccc(Cl)c(OC)c2)c3nc(C(=O)O)cs3)=O)c(Cl)c1	8667
+Fc1cc(cc(F)c1F)C=2c3cc(OC)ccc3C(=O)N(c4cccc(c4)C#N)C=2	2220
+c1(cccc(Cl)c1C(c2c(cc3c(c2)C=C3C#N)OC)=O)Cl	222
+c1(cc2ccc(O)nc2cc1)N3C(c4cc(OC)ccc4C3)=O	8668
+C(c1cc(c(C)cc1)N2C(=O)c3cc(OC)ccc3N=C2)(=O)O	1
+c1cc(ccc1)CNC2CCc3c(cc(cc3)OC)C2	87
+c1ccccc1CN2CCC(CC2)NC3Cc4c(ccc(OC)c4)CC3	87
+COc1cc2CC3(C(=CC(=O)CC3)c2cc1)C	2992
+C1(O)CCC2C3=C(CCC12CC)c4ccc(OC)cc4CC3	100
+c1ccccc1C2C(=O)c3c(cc(OC)cc3)CC2	8669
+COc1cc2c(cc1)C(NCC2)C	1218
+c1(c(cc2N(CCn3ncc(c3)[N+]([O-])=O)CCc2c1)OC)OC	713
+c1(cc2NC(=O)COc2cc1)N3C(CC(NCCCCN4C(=O)C=Nc5ccc(OC)cc45)C3)=O	110
+COc1cc2N(C(=O)C=Nc2cc1)CCCC=O	24
+C(C)N(CC)C(C)CN1CCC2=C(C(=O)Oc3cc(ccc23)OC)C1	4560
+O1c2c(C(NCC1)=O)ccc(c2)O	5
+c12c(C(C(=O)O)CC1)ccc(c2)O	5
+N(O)=C(CNC(C)=O)c1cccc2ccc(OC)cc12	189
+c1c(N)cc(cc1)N=C2NC(N3C(c4ccc(OC)cc4CC3)=C2)=O	0
+COc1cc2c(cc1)c(Cl)ncc2Br	137
+c1c(c(Cl)c2c(c1)C(C(CCCC)C2)=O)OC	196
+Cc1c(c(N2CCc3c(ccc(OC)c3)C2C)nc(Cl)n1)C	54
+Clc1cnc2n(c1)nc(C(=O)N3CCc4c(ccc(OC)c4)C3C)c2	147
+c1(cc2NC(=O)COc2cc1)N3CC(CC3=O)CNCCN4C(=O)C=Nc5ccc(OC)cc45	110
+COc1cc2c(cc1)c(Cl)ncc2O	8670
+C(NC(C)=O)C(O)c1c2c(ccc(OC)c2)ccc1	68
+O=Cc1c2c(ccc(OC)c2)ccc1	674
+COc1cc2c(cc1)n(cc2CC(=O)O)C	4
+COc1cc2c(cc1)nc(Cl)cc2CCNC(C)=O	68
+c1cc2nc(O)cc(C)c2c(c1OC)Cl	8671
+c1cc(ccc1)CN2CC(Nc3nc4c(cc(OC)cc4)c(c3)C)CC2	554
+C1CN(CCC12OCCO2)CCc3c(OC)cc4cccnc4c3	61
+c12cc(c(cc1CC(CCCC)C2=O)O)F	5
+c12ccc(nc1cc(O)c(c2)F)C	5
+FC(F)(F)Oc1ccc(cc1)N2C(N(C(C)(C)C2=O)Cc3ccnc4ccc(OC)cc34)=O	8672
+c1cc(ccc1)Nc2c3c(nc(Cl)n2)ccc(OC)c3	73
+c1c(c(Br)cc2n[nH]cc12)O	5
+c1ccccc1COC(n2c3cc(c(Cl)cc3nc2-c4ccc(c([N+](=O)[O-])c4)OC)Cl)=O	8673
+COc1ccc(c(CN)c1)Br	107
+C(O)c1cc(OC)ccc1Br	49
+c1(cc(C(c2c(C(O)=O)cc(OC)cc2)=O)ccc1)OC	2227
+O(C)c1cc(cc(OC)c1)C(=O)c2ccc(cc2C(=O)O)OC	1217
+COc1ccc(C(=O)c2cccc(c2)F)c(c1)C(=O)O	1217
+c1cc(ccc1C(=O)c2ccc(cc2C(=O)O)OC)-c3nnn(C)n3	1217
+c1cc(ccc1)C(=O)c2ccc(cc2C(=O)O)OC	2227
+c1cc(ccc1)OCC(=O)c2c(C(=O)O)cc(OC)cc2	586
+C(C(Cl)=O)c1cc(OC)ccc1Br	130
+COc1ccc(CC)c(c1)O	165
+C1(C)=C(C(=O)Oc2cc(ccc12)OC)c3cnc(OC)nc3OC	8674
+COc1ccc(C(N(OC)C)=O)c(C#CCCCCC)c1	8675
+Cc1nnc(c2ccc(OC)cc12)O	8676
+c1(O)nnc(c2ccc(OC)cc12)-c3cc(F)ccc3	1055
+c1cc(ccc1)CC(=O)c2c(cc(cc2)OC)C#CCCCCC	8677
+COc1ccc(c(C#N)c1)CC(=O)O	4
+Cc1cc(ccc1CC(OC)=O)O	5
+c1ccccc1COc2cc(OC)ccc2CC	22
+COc1ccc(CCSC)c([N+]([O-])=O)c1	965
+COc1cnc(cc1)COC(C)=O	174
+COc1ccc(Cl)c(c1)C(=O)O	820
+COc1cc(c(Cl)cc1)-c2cc(F)ccc2	134
+C(Cl)(=O)c1c(Cl)ccc(OC)c1	82
+C1(N(c2cc(ccc2OC1)C(Cc3c(Cl)ccc(OC)c3)=O)C)=O	214
+n1(ncc2c1nc3ccc(OC)cc3c2Cl)CC	4561
+Nc1ccc(OC)cc1C#N	0
+Nc1c(cc(OC)cc1)C(=O)O	0
+CC(C)(O)c1c(ccc(c1)OC)O	1033
+c1cc(ccc1C)C(=O)c2c(cc(cc2)OC)C	358
+c1(c(N)ccc(OC)c1)C	0
+C1OC(CCC1)OCCc2cc(OC)ccc2Br	219
+n1c(NCc2cc(OC)ccc2Br)c(Cl)cnc1Cl	40
+C1(N(c2cc(ccc2OC1)C(Cc3ccc(OC)cc3Cl)=O)C)=O	214
+[N+](c1cc(ccc1Br)O)([O-])=O	5
+O=[N+](c1c(OC)ccc(Br)c1[N+](=O)[O-])[O-]	31
+c1cc(ccc1)-c2c(cc(OC)cc2)[N+]([O-])=O	11
+c1cc(ccc1)-c2c(cc(OC)cc2)[N+]([O-])=O	750
+C1C(Nc2c1ccc(OC)c2)=O	1089
+COc1ccc(CCO)c([N+]([O-])=O)c1	21
+Nc1cc(OC)ccc1O	0
+c1c(c(F)ccc1O)C(=O)O	5
+COc1cc(OCC2CO2)c(cc1)-c3nnc(cc3)Cl	8
+CCOC(=O)C=Cc1c(cc(Oc2cc(OC)ccc2C)cc1)C	46
+c1(ccc(C=C(C(OCC)=O)CCCNC2CCCc3c2cc(cc3)OC)cc1OC)-n4cc(nc4)C	284
+COc1ccc2N(C(CC(CCO)c2c1)=O)C	21
+COc1ccc2N(C(CC(CC(=O)O)c2c1)=O)C	4
+COc1ccc2N(C(CC(CCNC)c2c1)=O)C	110
+COc1ccc2N(C(CC(CC=O)c2c1)=O)C	24
+c12c(OC(C)C(=O)N1)ccc(O)c2	5
+COc1ccc2CC(Cl)c3c(Sc2c1)ccc(SC)c3	4562
+c1ccccc1C(c2cc3c(cc2OC)C(C(OC)=O)CC3)=O	222
+c1ccccc1CN2CC3C(C(=O)c4ccc(OC)cc34)C2	8678
+FC(F)(F)C(=O)c1c[nH]c2cc(OC)ccc12	531
+[nH]1cc(C#N)c2ccc(OC)cc12	4563
+COc1cccc(-c2nc(ccc2CC(=O)O)Cl)c1	4
+c1cc2c(noc2cc1F)-c3cc(ccc3)O	5
+c1cc(ccc1)N=C(N)c2cccc(OC)c2	1748
+COc1cccc(c1N)C=2NCCN=2	2086
+c1(c(c(ccc1)C(=O)C)Br)O	5
+c1cc(ccc1CC(OCC)C(OCC)=O)OCC(=O)c2cccc(c2)OC	702
+Clc1cc(F)c(C#N)c(C(=O)c2cccc(OC)c2)c1	2227
+c1cc(C(=O)NNC(=O)c2cccc(c2)OC)cc(c1)I	1601
+c1(cc(ccc1)OC)-c2nc3n(ccc(c3)Br)n2	8679
+c1cc(ccc1I)C(=O)NNC(=O)c2cc(ccc2)OC	1601
+COc1cccc(C(=O)C)c1Br	1024
+c1(c(c(c(C(C)=O)cc1)C)C)OC	94
+O=S(=O)(c1cc(c(cc1)Cl)C)N(c2cc(Cl)cnc2C(c3c(cccc3OC)C)=O)COC	4564
+COc1cccc(c1)C(C)(CNC)O	122
+c1c(c(c(cc1)OC)F)CN	817
+Cc1cc(C(c2cc(OCc3cccc(c3)OC)ccc2)=C)ccc1OC	22
+COc1cccc(c1)CCCO	21
+COc1cccc(CCC(N)=O)c1	83
+C(CN)Cc1cc(ccc1)OC	15
+COc1cc2CCN=C(C)c2cc1	1120
+FC(F)(F)c1c(cccc1)S(=O)(=O)Nc2c(nccn2)-c3ccc(cc3)COCc4cc(ccc4)OC	555
+COc1c(CC#N)c(Cl)ccc1	163
+O=S(=O)(Cl)c1c(c(c(OC)cc1)Cl)Cl	243
+COc1c2c(ccc1)[nH]nc2N	575
+c1cc(cc(-n2ncc3c2cccc3)c1)OC	2993
+c1(ccc(NC(C)=O)cc1OC)C(=O)C	94
+c1c(cccc1OCc2c(ccc(Cl)c2)Br)OC	22
+FC(F)(F)C(=O)N1CCc2cc(ccc2CC1)COc3cccc(OC)c3	139
+c1c(cccc1OC)Oc2cc(c(F)cc2[N+]([O-])=O)Br	46
+c1c(cccc1OC)Oc2ccccc2[N+]([O-])=O	415
+c1ccccc1CN2CC3=C(CC2)c4c(cc(cc4)OC)OC3=O	3607
+c1c(cccc1OCC2Cc3c(CC2)cc(cc3)C4CCC5(COC(N5)=O)C4)OC	267
+FC(F)Oc1ncc(CN2C(CCCC2c3c(cccc3OC)OC)=O)cc1Cl	8680
+COc1cccc(OC)c1COc2cccc(CC(O)=O)c2	3
+S(c1cc(ccc1)O)C	5
+COc1cccc([N+]([O-])=O)c1CC#N	163
+c1c(cc(cc1)O)C#CCCCCCC	5
+COc1cccc(C2(C)OC2)c1	4565
+c1c(-c2cc(ccc2)OC)[nH]nc1N	1941
+[N-]=[N+]=NCCN1C(=O)C(CC)(c2cc(ccc2)OC)CCCC1	600
+c1cc(ccc1S(=O)(=O)C[N+]#CC2C(CCCC2)Cc3cccc(OC)c3)C	1141
+COc1cccc(c1)CCCC#N	1409
+COc1cccc(c1)CCCI	343
+FC(F)(F)C(N1CCC(CC1)C(=O)NCCc2cc(OC)ccc2)=O	68
+FC(F)(F)C(NCCc1cccc(c1)OC)=O	659
+COc1cccc(CCNC(C)=O)c1	68
+c1cc(ccc1)C(=O)NCCc2cccc(c2)OC	93
+c1c(cc(cc1)OC)CCNC(c2cc(cc(c2)-c3ccccc3OC)-n4nnnc4)=O	14
+c1cc(ccc1)C(CCc2cccc(OC)c2)O	758
+C(c1cc(ccc1)OC)OCCO	555
+c1cc(ccc1OCc2cccc(OC)c2)Cc3noc(c3)-c4ccc(N)nc4N	139
+c1cc(ccc1)OCc2nc3c(cccc3)n2Cc4cc(ccc4)OC	1947
+c1cc(ccc1)N(c2ccccc2)C(CNC(Nc3cccc(c3)OC)=O)=O	1631
+c1c(OC)ccc2c(-c3cnccc3)csc12	8681
+COc1cccc(C(N(OC)C)=O)c1Br	280
+c1c(c(c(cc1)OC)C)CC[N+](=O)[O-]	364
+FC(F)(F)c1oc2cccc(c2n1)OC	8682
+c1cc(ccc1F)OC2CCN(CC2)CCCn3cc(c4cccc(OC)c34)C(C)=O	53
+COc1c2c(ccc1[N+]([O-])=O)CC(CCC2)=O	31
+c12c(c(ccc1)OC)nccc2Cl	120
+c1c(OC)c2c(c(c1)C=O)cc(C)o2	3809
+c1cc(ccc1)CN(CC)C(C2c3c4c(cccc4OC)n(CCF)c3CCC2)=O	58
+c12cccc(c1nc(C)s2)O	390
+c1ccc(O)c2cnsc12	5
+[n+]1(c(C)ccc(OC)c1)[O-]	341
+COc1cnc(cc1)Nc2ccn(C)n2	834
+COc1cnc2ccc(F)c(c2n1)CC#N	1689
+c1cc(ccc1C)S(=O)(=O)OCCc2cccc(n2)OC	36
+COc1nc(ccc1)CCl	515
+FC(F)(F)c1cccc(-c2cc(C)c(C(OC)=O)c(OC)n2)c1	140
+c1cc(ccc1Cc2cc(-c3cccnc3N)on2)OCc4nc(OC)ccc4	412
+c1c(F)nc(c(F)c1)O	104
+n1c(SC)nc(Cl)c(c1OC)I	1154
+c1cc(ccc1I)Oc2nc(OC)cc(n2)OC	893
+c1(OC)nc(nc(OC)n1)Oc2c(c(Cl)ccc2)C(=O)Oc3ccc(cc3)[N+](=O)[O-]	852
+c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O	61
+COc1nc2c(-c3ccc(CC#N)cn3)ccnc2cc1	1689
+COc1nc2c(-c3ccc(CCN)cn3)ccnc2cc1	51
+COc1nc2c(-c3ccc(CCNCc4ccc5c(n4)NC(=O)CS5)cn3)ccnc2cc1	294
+Oc1nc2c(C(NCC2)=O)cc1	104
+C1CCCOC1CCn2c(OC)nc3c2nc(nc3N)NCCCC	8683
+c12cc(-c3cnccc3)ccc1nc(O)cc2	104
+FC(F)(F)C(NCC1CCCN(C1)CCc2c3nc(ccc3ncc2)OC)=O	4566
+c1(ccc2c(n1)NC(=O)CS2)CN(C(=O)C3OCCN(CCc4ccnc5c4nc(OC)cc5)C3)C	4566
+COc1nc2c(nccc2CCN3CCOC(C3)CNCc4ccc5c(n4)NC(=O)CS5)cc1	294
+O(C)c1nccc(C(=O)NN)c1	296
+n1ccc(cc1O)NC(c2cc(ccc2F)F)=O	104
+C(c1ccc(-c2cc(nn2-c3nnc(OC)cc3)C(=O)N(C)CC)nc1)N	388
+COc1nnc(-n2nc(cc2-c3ccc(cn3)C#N)C(=O)O)cc1	1
+c1(-c2cn3c(n2)ccc(OC)n3)cc([N+]([O-])=O)c(C)cc1	1749
+O=S(=O)(c1cc(c2c(c1)OC(CO2)CO)F)C	4567
+O=S(=O)(c1cc2OC(COc2cc1)CO)C	4567
+C[Si](C)(C)c1ccc(cc1)C(C(=O)c2cc(ccc2)Br)=O	4568
+C[Si](C)(C)c1cc(C(C(=O)c2cc(ccc2)Br)=O)ccc1	4568
+FC(F)(F)C1(CC(C)(C)c2c(C=O)cccc2)OC1	2492
+O=Cc1ccc(cc1F)-c2cc(ccc2)OC	2492
+c1cc(ccc1)-c2c(CN)c(nc3ccc(C(=O)N)cc23)CC(C)C	8684
+c1cc(ccc1OCC2(OC2)c3ccc(Br)s3)Cl	8685
+c1ccccc1CCOCCCN2CCC3(CC2)CO3	1626
+FC(F)(F)c1cccc(-c2nc3ccc(S(=O)(=O)C)cc3c(c2C)C(=O)OC)c1	2994
+O=S(=O)(C)c1ccc(c(Cl)c1)C=O	2964
+O=S(=O)(c1c(cc(cc1)[N+]([O-])=O)F)C	2964
+O=S(=O)(c1ccc(c(C=O)c1)O)C	2994
+O=S(=O)(c1ccc2c(c1)C(=O)N(C(CC)=N2)C)C	2994
+c1cc(ccc1-n2ncc(c2C)C(=O)NC(c3cncc(c3)S(=O)(=O)C)CCC)Cl	8686
+O=S(=O)(c1c(c(ccc1)-c2ccncc2)-c3ccc(cc3)OCc4ccccc4)C	8687
+c1(c(N)c(cc(c1F)F)Br)CSC	4569
+c1c(c(N)c(cc1F)CSC)F	4569
+C1CC1(C2(CCc3ccc(cc3)Cl)OC2)Sc4ccccc4	8688
+Clc1cc(NC(SC)=C(C(N)=O)C#N)ccc1	8689
+C(SC)CNCCSC	15
+FC(F)(F)c1cc(c(c(OC)c1)C(O)=O)SC	1884
+S(C)c1cc(ccc1Br)F	2869
+S(c1cc(ccc1C)F)C	1850
+c1(cc2ccc(cc2cc1)SC)OC	1850
+c1c(c(c(cc1F)Br)SC)F	2869
+c1c2c(ccc1)cc(SC)c(c2)OC	1884
+c1ccccc1COc2c(c(cc(C=O)c2)SC)O	1850
+c12cc(SC)ccc1nc[nH]2	631
+c1(c(C#N)c(S(=O)C)nc(n1)N)SC	1056
+CC(c1c(nc2c(c1)cc(Cl)c(OC)c2)OC)O	8690
+CC(C)(c1cc(F)c(cc1)C#N)O	2929
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(=O)C	2830
+c1cc(ccc1C(c2ccc(cc2)Cl)N3CC(C3)C(C(C)O)c4cc(F)cc(c4)F)Cl	8691
+c1cc(ccc1C(c2ccc(cc2)Cl)N3CC(C3)C(C(C)(C)O)c4cc(F)cc(c4)F)Cl	8692
+c1cc(ccc1F)C2C(c3ccc(cc3)I)Oc4c(C2(O)C)ccc(c4)OC5CCCCO5	2929
+c1cc(ccc1OC)CN2CC(CC2=O)C(C)=O	2830
+N1(C(=O)N(c2ccc(C)cc12)Cc3c4c(C)cccc4n(c3)C)C(CCC)CC(OCC)=O	8693
+Clc1cc(Br)cc(Oc2c(Cl)ccc(N)c2[N+]([O-])=O)c1	8694
+Cc1n(nc2ccc(cc12)Br)C	2369
+[N+](c1cc(Br)c2nn(C)cc2c1)([O-])=O	2369
+CP(C)(c1cc(c(cc1)OC)N)=O	4570
+c1cc(ccc1P(C)(C)=O)Br	4570
+FC(F)(C1(CO1)c2c(cc(cc2)F)F)c3ncc(Br)cc3	4565
+c1cc(F)c(cc1C2C(C2)C(OCC)=O)Br	8695
+c1c(F)c(c(cc1[N+](=O)[O-])F)N2CCC3(CC2)OC3	2113
+c1cc(ccc1)CN2CCC3(CC2)CO3	2113
+c1cc(ccc1C2C(C(N(OC)C)=O)C2)Cl	3252
+c1c(cc(cc1)Br)C2(c3cccc(c3)Br)OC2	8696
+c1cc(ccc1C2CO2)C	8697
+Clc1cc(cc(Cl)c1-n2cc3c(n2)c(cnc3Br)F)[N+]([O-])=O	8698
+c1c(Cl)c(c(cc1C)Cl)OCCOc2ccc(cc2)CBr	8699
+C[Si](C)(C)CCOCn1c(-c2c(C#C[Si](C)(C)C)cnc(n2)N)cc(C(OCC)=O)c1-c3cc(Cl)ccc3C	2995
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2c(F)c(c(cc2)Cl)Oc3cc(cc(C#C[Si](C)(C)C)c3)Cl)=O)Cl	263
+C[Si](C)(C)CCOCn1c2ccc(C#C[Si](C)(C)C)cc2cn1	263
+C[Si](C)(C)C#Cc1cc(c(nc1)SC)Cl	683
+C[Si](C)(C)C#Cc1cc(OC(C)c2c(ccc(F)c2Cl)Cl)c(nc1)N	683
+C[Si](C)(C)C#Cc1cnc(C(F)(F)C2(CO2)c3c(cc(cc3)F)F)cc1	683
+C[Si](C)(C)C#Cc1ccc2c3c(c(cnc3NC(C(F)(F)F)C4CC4)C(=O)N)[nH]c2c1	8700
+C[Si](C)(C)C#Cc1cn(nc1)CC(F)(F)F	8701
+C[Si](C)(C)C#Cc1c(C)cc(cc1)C(CC)(CC)c2cc(C)c(C(OC)=O)cc2	2823
+FC(F)(F)c1c(C#N)ccc(c1C#C[Si](C)(C)C)F	311
+FC(F)(F)c1cc(c(C#C[Si](C)(C)C)c(Br)c1)N	311
+C[Si](C)(C)C#Cc1cc(C)c(OC(F)F)cc1	263
+C[Si](C)(C)C#Cc1cc(OCc2c(F)cccc2F)c3nc(C)c(C(=O)OCC)n3c1	683
+C[Si](C)(C)C#Cc1c(cccc1)NC(=O)N	311
+C[Si](C)(C)C#Cc1cc(nc(c1O)Cl)CO	8702
+C[Si](C)(C)C#Cc1c(C#N)ncc(Cl)c1	683
+C[Si](C)(C)C#Cc1c(nccc1)N	683
+C[Si](C)(C)C#Cc1c(C)c(C#N)c(N)nc1	1042
+C[Si](C)(C)C#Cc1c(N)c(C(=O)OC)c2c(c1)cn[nH]2	263
+C[Si](C)(C)C#Cc1c(N)ccc(n1)C	961
+C[Si](C)(C)C#Cc1cc(cnc1N)Cl	1042
+C[Si](C)(C)C#Cc1c(nccc1)N	1042
+C[Si](C)(C)C#Cc1ccccc1CC(OC)=O	311
+C[Si](C)(C)C#Cc1cc(Nc2ncc(c(Nc3ccccc3S(=O)(=O)C(C)C)n2)C)c(OC(C)C)cc1C	263
+C[Si](C)(C)C#Cc1ccc(S(=O)(=O)NC(C(=O)O)Cc2c[nH]c3c2cccc3)s1	8703
+C[Si](C)(C)c1cn(-c2cc(OCC(=O)O)ccc2)nn1	8704
+C[Si](C)(C)C#Cc1c(C(CC)C(=O)N)cccc1	311
+C[Si](C)(C)C#Cc1cc(c(cc1N)F)Br	311
+C[Si](C)(C)C#Cc1ccc(cc1F)N2CC(Cn3nnc(C)c3)OC2=O	311
+C[Si](C)(C)C#Cc1c(nc(Nc2cccc(F)c2)nc1)NCCC	2995
+C[Si](C)(C)C#Cc1c(N)nc(-c2ccco2)c(c1)-c3ncncc3	683
+C[Si](C)(C)C#Cc1c(nc(N)cc1)N	1042
+C[Si](C)(C)C#Cc1c(Cl)c(ccc1F)C#N	311
+C[Si](C)(C)C#Cc1cc2ccc(cc2cc1)O	263
+C[Si](C)(C)C#Cc1cncc(C#N)c1	683
+C[Si](C)(C)C#Cc1cnc2c(c(Nc3c(F)cc(cc3)C)c(cn12)C(=O)OC)F	4571
+C[Si](C)(C)C#Cc1cc(C)c(c(c1)C)OCc2ccccc2	263
+C[Si](C)(C)C#Cc1ccc(C)cn1	961
+C[Si](C)(C)C#Cc1cc(c(cc1)Nc2c(cnc(c2)O)C(=O)NCCO)F	311
+C1(=O)N2CCCC2=C(C(NOCCO)=O)C(=C1F)Nc3c(cc(cc3)C#C)F	2228
+C[Si](C)(C)C#Cc1cn2c(nc(C(=O)OCC)c2)cc1	1042
+C[Si](C)(C)C#Cc1nc(C#N)c(N)cc1	8705
+C[Si](C)(C)C#Cc1cc(CCCC#N)c(F)cc1	263
+C[Si](C)(C)C#Cc1cc(NNC(OC)=O)c(cc1)Cl	263
+C[Si](C)(C)C#Cc1ccc(F)cc1CC(N)=O	263
+C[Si](C)(C)C#Cc1ccc(Br)nc1	1042
+C[Si](C)(C)C#Cc1ccc(c(c1)CNC(OC)=O)Cl	311
+C[Si](C)(C)C#Cc1ccc(cc1)-c2ccnn2-c3ccncc3	263
+C[Si](C)(C)C#Cc1ccc(cc1)OCCN(CC)CC	263
+C[Si](C)(C)C#Cc1ccc(cc1)C(OCC)=O	263
+C[Si](C)(C)C#Cc1ccc(cc1)C(C)C(NCC)=O	311
+C[Si](C)(C)C#Cc1ccc(cc1)CN(C)C	311
+C[Si](C)(C)C#Cc1ccc(cc1)CO	263
+C[Si](C)(C)C#Cc1cnc2n1cc(cc2C)-c3ccc(cc3)Cl	4571
+c1cc(ccc1F)-n2ccc3c2ccc(C#C)c3	1800
+C[Si](C)(C)C#Cc1ccc(cc1)CCC(=O)OC	311
+C[Si](C)(C)C#Cc1ccc(cc1)N2C(N=C(c3c(F)cccc3Cl)N2)=O	8706
+C[Si](C)(C)C#Cc1ccc(cc1)OC2OCCCC2	311
+C[Si](C)(C)C#Cc1ccc(N)nc1	683
+C[Si](C)(C)C#Cc1cc2C(c3cc(ccc3-c2cc1)C#N)=O	263
+C[Si](C)(C)C#Cc1c(cccc1)C(C(=O)N)C	311
+c1ccccc1C(c2ccccc2)(c3ccc(cc3)OC)OCC4C(O)CC(N5C=C(C#C[Si](C)(C)C)C(NC5=O)=O)O4	3589
+C[Si](C)(C)C#Cc1c(CC)ncnc1NC2CCC(CC2)c3ccccc3	2995
+c1ccccc1CNC(=O)c2c(C)nc(s2)C#C	4482
+C[Si](C)(C)C#Cc1cc(c(OCc2ccccc2)nn1)OCc3ccccc3	8707
+C[Si](C)(C)C#Cc1c(ncc(c1)C(=O)N=S(c2ccccc2)(C)=O)N	1042
+C[Si](C)(C)C#Cc1cncc(C(N=S(c2ccccc2)(=O)C)=O)c1	683
+C[Si](C)(C)C#Cc1cnc(nc1)N2CC(NCc3c(Cl)cc(cc3)Cl)CC2	8708
+FC(F)(F)C(O)(C#C)CC	1407
+CN(C)c1ccc(cc1)C(C#C)O	1407
+c1cc(ccc1)C#Cc2ccccc2C(C#C)OC	1407
+c1cc(ccc1-n2nnnc2)CC(=O)N3CCC(CC3)(C#C)O	1407
+C[Si](C)(C)C#CC1(CCN(CC1)C(=O)Cc2ccc(cc2)-n3nnnc3)O	731
+C1(NC=C(C(N1)=O)C#C)=O	4572
+C[Si](C)(C)c1c(C2CCCCC2)c3c(ncc(c3)C(OC)=O)[nH]1	8709
+C[Si](C)(C)C#CCCCCC(=O)c1ncc(-c2ncccc2)o1	8710
+c1(cnc(C(CCCCC#C)=O)o1)-c2ncccc2	1407
+C[Si](C)(C)C#CCCNC(c1cccc(c1)Cc2cc(F)ccc2)=O	14
+C[Si](C)(C)C#CCCN	18
+C[Si](C)(C)c1[nH]c2c(cc(Cl)cc2c1CCNC(c3cc(ccc3)Cc4cc(F)ccc4)=O)Cl	4238
+C(C(c1ccccc1C#C)C)(=O)OC	75
+NC(C(c1c(cccc1)C#C)CC)=O	75
+C#Cc1c(c(C#N)c(N)nc1)C	75
+C(C)C(CC)(c1ccc(C(OC)=O)c(C)c1)c2cc(c(cc2)C#C)C	75
+c1(c(C#C)ccnc1)C	75
+c1ccccc1C2CCC(CC2)Nc3c(c(ncn3)CC)C#C	75
+C(C(n1ccc2c(c(ccc12)C#N)Cl)C)SC	4573
+C1C(CN1Cc2cc(F)c(cc2)C#C)C(OC)=O	75
+C#Cc1c(N)c(c2n[nH]cc2c1)C(=O)OC	75
+Nc1c(nc(C)cc1)C#C	75
+CC(C)N1C(=O)C=CC(=N1)c2nc(C#C)c(nc2-c3ccccc3)N	75
+C(C)N(CC)N=Nc1c(C#C)c(cc(C(OC)=O)c1-c2cc(ccc2)F)Cl	75
+CC(C)c1c(cc(c(c1)OC)C#C)Oc2cnc(nc2N)N	75
+C(=O)(C(c1ccccc1C#C)C)N	75
+c1c(c(C#C)ccc1)NC(=O)N	75
+C(#C)c1c(nc(cc1)N)N	75
+C(#C)c1cnc(nc1NCCC)Nc2cccc(c2)F	75
+c1ccccc1S(C)(=NC(=O)c2cnc(c(C#C)c2)N)=O	75
+C#Cc1cccnc1N	75
+c1ccccc1-c2c3c(C#C)nc(c(O)c3on2)C(OCC)=O	75
+N1(c2ccc(F)cc2F)C=C(C(=O)OCC)C(=O)c3cc(c(F)c(C#C)c13)F	75
+CCN(CC)C1CN(CC1)C(c2[nH]nc(-c3cc(ccc3)C#C)c2C)=O	75
+c1c2c(ccc1)CC(C2)Nc3nc4CCN(C(c5cncc(c5)C#C)=O)Cc4cn3	75
+CC(C)(C)OC(c1cc(C#C)ccc1)=O	75
+CC(C)(C)c1c(C2(CC2)OCC)ccc(c1)C#C	75
+FC(F)Oc1ccc(C#C)cc1C	75
+c1c(C)c(c(cc1C#C)C)OCc2ccccc2	75
+C1CC1c2cc(cc3C(C)(C)CC(C)(C)Oc23)C#C	75
+c1c(CCCC#N)c(F)ccc1C#C	75
+c1(Cl)ccc(cc1NNC(OC)=O)C#C	75
+CC(C)Oc1cc(c(C#C)cc1Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c(C)cn2)C	75
+CC1(C)c2cc(C#C)cc(c2C(=O)CC1)OC(C)C	75
+c1c(c(ncc1C#C)N)OC(C)c2c(Cl)ccc(F)c2Cl	75
+Fc1cccc(F)c1COc2c3n(c(C(=O)OCC)c(n3)C)cc(C#C)c2	75
+C1CC1N(C)Cc2c(C(=O)OC(C)C)ccc(c2)C#C	75
+C1C(C)OC(CN1c2c(c(c(cc2C=O)C#C)F)F)C	75
+CC(C)Oc1c(cc(cc1)C#C)C(OC)=O	75
+c1ccccc1COc2cc(C#C)nnc2OCc3ccccc3	75
+CC(C)(C)OC(Nc1c(cc(C#C)cc1)[N+](=O)[O-])=O	75
+C(NCCO)(c1c(Nc2c(cc(cc2)C#C)F)cc(O)nc1)=O	75
+c1(F)c(cc2cc[nH]c2c1)Br	4574
+C#Cc1cc(Cl)c(SC)nc1	75
+C1CC1c2c3OC4(CC4)CC(C)(C)c3cc(c2)C#C	75
+C[Si](C)(C)C#Cc1cc(cc(Cl)c1)S(=O)(=O)N(c2cc3c4ccccc4n(CC)c3cc2)CC(=O)O	32
+O=S(=O)(N(CC(=O)O)c1cc2c3ccccc3n(CC)c2cc1)c4cc(Cl)cc(C#C)c4	75
+C(OCOc1cccc(c1)C#C)COC	75
+C#Cc1cc(Cl)cnc1N	75
+CC1(C)CC(C)(C)c2c(O1)c(cc(c2)C#C)C=O	75
+CC1(C)c2cc(cc(O)c2C(=O)CC1)C#C	75
+C(#C)c1cc2C(c3c(ccc(C#N)c3)-c2cc1)=O	75
+CN(C)C(c1nn(-c2ccnc(N)n2)c3cc(ccc13)C#C)=O	75
+C1CN(CCC1Cn2c3c(cc(cc3)C#C)cc2)C(CCc4ccccc4)=O	75
+C[Si](C)(C)C#Cc1ncc2ncc(C#N)c(c2c1)Cl	120
+c1(cc(Nc2c3cc(ncc3ncc2C#N)C#C)ccc1)Br	75
+c1c2c(cc(C#C)c1)ccc(c2)O	75
+c1nc(ccc1C)C#C	75
+c1cc(cnc1Cl)C#C	75
+C(#C)c1ccc(cc1CC(N)=O)F	75
+n1c(ccc(c1)C#C)N	75
+C12CCCC1N(C)C(=O)N2c3ccc(C#Cc4cccc(c4)F)cn3	2228
+O=S(=O)(NC(C(=O)O)Cc1c[nH]c2c1cccc2)c3ccc(s3)C#C	75
+c1c(c(Cl)ccc1C#C)CNC(OC)=O	75
+c1cc(ccc1C#C)-c2ccnn2-c3ccncc3	75
+c1cc(ccc1C#C)C(C)C(NCC)=O	75
+c1cc(ccc1C#C)C(OCC)=O	75
+c1cc(ccc1)CNC2(CC2)c3ccc(cc3)C#C	75
+N#CC(C#N)=C1C(C#N)=C(c2ccc(cc2)C#C)C(C)(C)O1	75
+c1cc(ccc1CCC(=O)OC)C#C	75
+c1cc(ccc1C#C)CN(C)C	75
+c1cc(ccc1C#C)CO	75
+c1cc(ccc1N(CC)CC)C#C	75
+C(CCC)N(CCCC)c1ccc(cc1)C#C	75
+c1cc(ccc1N2C(N=C(c3c(F)cccc3Cl)N2)=O)C#C	75
+c1cc(ccc1C#C)OC2OCCCC2	75
+c1cc(ccc1C#C)OCCCCCC	75
+c1cc(ccc1C#C)OCCN(CC)CC	75
+c1cc(ccc1OCCN2CCCC2)C#C	75
+c1cc(ccc1C#C)OCCO	75
+C[Si](C)(C)c1ccc(cc1)C#C	75
+c1(N2CC(OC2=O)Cn3cc(C)nn3)ccc(C#C)c(F)c1	75
+C1CC1COc2ccc(nc2)C#C	75
+CC1(C)CN(c2ccc(C#Cc3cc(cnc3)F)cn2)C(C1)=O	8711
+C1CC1CNc2ncc(cc2)C#C	75
+CC1(C)c2c(ccc(C#C)c2)OC(C1)=O	75
+FC(F)(F)C(Nc1ncc(c2[nH]c3c(ccc(C#C)c3)c12)C(=O)N)C4CC4	75
+FC(F)(F)c1c2nn(c(-c3cc(ccc3)C#C)c2ccc1)Cc4c(cc(cc4F)F)F	75
+C[Si](C)(C)C#Cc1cccc(c1)-c2c(nccc2)F	305
+c1c(cccc1C#N)C#C	75
+CC(C)OC(c1cccc(C#C)c1)=O	75
+CCOC(=O)c1cccc(c1)C#C	75
+c1ccc(-c2cccnc2F)cc1C#C	75
+C[Si](C)(C)c1[nH]c2c(cc(Cl)cc2c1-c3ccccc3)[N+](=O)[O-]	8712
+C1CC1(C(=O)N)c2ccccc2C#C	75
+c1(ccccc1CC(OC)=O)C#C	75
+C(#Cc1ccccc1N)c2c(OC)cc(c(c2)C=O)OC	2228
+FC(F)(F)Cn1ncc(C#C)c1	75
+C(C)OC(c1nc2n(c1)cc(cc2)C#C)=O	75
+CC(C)(C)OC(N1CCN(CC1)c2ccc(C#C)cn2)=O	75
+C1c2c(CC1Nc3nc4CCN(C(=O)c5ncc(cc5)C#C)Cc4cn3)cccc2	75
+n1cc(cnc1N2CC(NCc3c(Cl)cc(cc3)Cl)CC2)C#C	75
+c1c(C(=O)OC)c(c(c2n1c(C#C)cn2)F)Nc3c(F)cc(C)cc3	75
+n1cc(cc(C#N)c1)C#C	75
+c1c(C=O)c(ccc1C#Cc2cc(C#N)cnc2)F	2228
+c1ccccc1S(=O)(C)=NC(=O)c2cncc(c2)C#C	75
+C(#C)c1c2n(cc(-c3cnn(C)c3)cc2OC)nc1	75
+C#Cc1n2c(cccn2)nc1	75
+n1c(c(N)ccc1C#C)C#N	75
+C1CCN(C1)c2nc(ccc2)C#C	75
+O(CC)C(OCC)c1cnc(C#C)cc1	75
+CC(C)(O)c1cnc(cc1)C#C	75
+C[Si](C)(C)C#Cc1cc2c(ncc(c2Nc3cccc(Br)c3)C#N)cn1	179
+C1CCCN1c2nc(C#C)nn2C	75
+C1(=CC(=C([N+](C1=C=[N-])=O)Cl)C(=O)OC)Cl	8713
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2C(c3ccc(cc3)F)C=4C=CC(=C=[N-])[N+](C=4CC2)=O)C	8714
+FC(F)(F)C1=CC(=C=[N-])[N+](C(Cl)=C1)=O	8715
+c1(Nc2cc(Cl)c(F)cc2)c(oc3c1ccnc3CCC)N	8716
+O(CC)P(OCC)(=O)CC=1C=C[N+](=O)C(=C=[N-])C=1	1269
+CCOP(OCC)(CC=1c2ccccc2[N+](C(=C=[N-])C=1)=O)=O	8717
+C1(C=CC=C([N+]1=O)COC2CCOC2)=C=[N-]	1649
+O1CCc2c3n(ncc3CC#N)ccc12	8718
+c1c(cc(Br)cn1)NC(c2c(cccc2)Cl)C#N	4575
+O=S(=O)(c1cc2CCC=C(c2cc1)C#N)c3ccccc3	4576
+[N-]=[N+]=NCC1=CC=C(C)[N+](=O)C1=C=[N-]	8719
+c1c(F)c(ccc1F)C(Cn2ncnc2)(C(C)C3=C[N+](=O)C(C=C3)=C=[N-])O	8720
+c1c(F)c(ccc1F)C(Cn2ncnc2)(O)C(C)C=3[N+](=O)C(C=CC=3)=C=[N-]	1649
+c1cc(ccc1)CN2CCC(CC2)(Nc3cc(C)ccc3)C#N	1345
+c1c(OC)c(cc(C2=C(C=CC([N+]2=O)=C=[N-])C)c1)F	8721
+c1c(F)c(ccc1F)C(Cn2ncnc2)(C(C)C=3C=C[N+](=O)C(C=3)=C=[N-])O	1269
+C1(C=C(C=C[N+]1=O)CCC)=C=[N-]	1269
+c1cc(ccc1)C2Cc3c(c(OC)ccc3C(C#N)=C2)OC	4576
+c1ccccc1C2CC(c3ccc(OC)c(OC)c3C2)(O)CN	4577
+c1cc(ccc1Cl)NC2(CCN(CC2)Cc3ccccc3)C#N	1345
+c1cc(ccc1)CN2CCC(CC2)(Nc3ccc(cc3)F)C#N	1345
+c1cc(ccc1-c2onc3-c4c(CCc23)cc(cc4)C(O)C#N)CCC	8722
+c1cc(ccc1Cl)C(C#N)Nc2ccc(cc2)Br	8723
+c1cc(ccc1F)C(N2C(C#N)C=Cc3c2cccc3)=O	8724
+c1cc(ccc1C)C(Nc2cc(Br)cnc2)C#N	4575
+c1cc(ccc1Cl)CC=2[N+](=O)C(=C=[N-])C=CC=2	1649
+O=S(=O)(c1ccc(cc1)NC(c2cc(C)cc(C)c2)C#N)N	8725
+c1cc(ccc1)C2Cc3c(OC)cccc3C(CN)(C2)O	4577
+FC(F)(F)c1ccc2N(C(=O)OCC)C(CC)CN(c2c1)C(c3nn(C)nn3)c4cc(Cl)c(cc4)Cl	8726
+FC(F)(F)c1ccc(cc1)CC(C=[N+]=[N-])=O	1945
+c1cc(ccc1CC(C=[N+]=[N-])=O)I	1945
+C[Si](C)(C)CC(C(O)=O)NC(c1cc(ccc1)I)=O	3
+C[Si](C)(C)CC(C(=O)NC1(CC1)C#N)NC(c2cccc(-c3cccc(C#N)c3)c2)=O	134
+C[Si](C)(C)CC=CCC(O)CCc1ccccc1	8727
+C[Si](C)(C)CCOC(C(CC)c1c(I)cccc1)=O	27
+C[Si](C)(C)CCOC(=O)c1cccc(S(=O)(=O)Cl)c1	279
+C[Si](C)(C)CCOC(C(Cc1c2c(c(cc1)[N+](=O)[O-])cccc2)NC(OC)=O)=O	27
+C[Si](C)(C)CCOC(=O)C(NC(OC)=O)Cc1c2ccccc2c(Nc3c(C(O)=O)cccc3)cc1	8728
+FC(F)(F)c1cccc(N2C(N)=C(C(N)=O)C(C(C(OCC[Si](C)(C)C)=O)=C2C)c3ccc(cc3)C#N)c1	8729
+C[Si](C)(C)CCOC(=O)C=C(C)Nc1cccc(c1)C(F)(F)F	3497
+C[Si](C)(C)CCOC(=O)N1CC(=O)CC1C(=O)OC	86
+C[Si](C)(C)CCOC(=O)N1CC(c2cc3cc(C=C)ccc3cc2)(CC1C(OC)=O)O	251
+O=S(=O)(N(C1CCC(CC1)C(=O)OC)C(C)C)c2cc(ccc2)C(=O)O	8730
+C[Si](C)(C)CCOC(=O)C(c1c(CCC(=O)c2cccc(C=Cc3nc4c(ccc(Cl)c4)cc3)c2)cccc1)CC	4578
+C[Si](C)(C)CCOC(=O)C(Cc1ccc(N)c2ccccc12)NC(OC)=O	0
+C[Si](C)(C)CCOC(N1CC(C(CC1)c2ccc(cc2)F)OCc3cc4c(cccc4)c(OCOCC[Si](C)(C)C)c3)=O	66
+C[Si](C)(C)CCOCn1cc(c2c1ncc(Br)n2)C(NCC(C)(C)COCOCC[Si](C)(C)C)=O	433
+C[Si](C)(C)CCOCn1c(nc2ccccc12)Cl	1544
+C[Si](C)(C)CCOCOc1ccc(C#N)c(c1)Cl	175
+C[Si](C)(C)CCOCn1c(-c2cc(Cl)ccc2C)c(cc1-c3ccnc(n3)N)C(OCC)=O	2481
+C[Si](C)(C)CCOCn1cc(nc1-c2ncc(Br)cc2Cl)C(F)(F)F	1073
+FC(F)(F)c1cn(COCC[Si](C)(C)C)cn1	1073
+C[Si](C)(C)CCOCn1cnc2c(ncnc12)I	8731
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)I	1750
+C[Si](C)(C)CCOCn1ccc(-c2nc3ccc(c(c3cc2)N)Cl)n1	1428
+C[Si](C)(C)CCOCOc1c(OC)cc(Br)cc1C=O	175
+C[Si](C)(C)CCOCn1ccc2c(Cl)nc(nc12)Cl	1750
+C[Si](C)(C)CCOCn1cc(c2c(nc(nc12)Cl)Cl)I	1750
+C[Si](C)(C)CCOCn1cc(c2c1nc(Cl)nc2Cl)F	1750
+C[Si](C)(C)CCOCn1nc(I)c2cc(C=O)ccc12	1433
+C[Si](C)(C)CCOCn1c2ccc(cc2c(n1)C(=O)N(OC)C)[N+](=O)[O-]	1433
+C[Si](C)(C)CCOCn1ncc2c1ccc([N+]([O-])=O)c2	1433
+C[Si](C)(C)CCOCn1cc(nc1)C(=O)OC	1073
+C[Si](C)(C)CCOCn1cc(C(OCC)=O)c2c(ncnc12)-c3cc(ccc3)[N+]([O-])=O	1750
+C[Si](C)(C)CCOCn1c(Br)nc(Br)c1Br	1073
+C[Si](C)(C)CCOCn1cnc2cc(Br)ccc12	1544
+C[Si](C)(C)CCOCn1nnc2cnc(Cl)cc12	8732
+C[Si](C)(C)CCOCn1nc(c2c1ccc(c2)Br)C=O	1433
+C[Si](C)(C)CCOCn1c2c(cc(C#N)nc2)c3cc(Br)cnc13	4579
+C[Si](C)(C)CCOCn1c2cnc(Cl)c(c2c3cccnc13)F	4579
+C[Si](C)(C)CCOCOc1c(Br)cc(cc1)CC(O)C(OC)=O	175
+C[Si](C)(C)CCOCn1ncc2cc(ccc12)Br	1433
+C[Si](C)(C)CCOCn1c2ccc(Br)cc2cc1	3374
+C[Si](C)(C)CCOCn1nc(c2c1-c3c(scc3)C2)-c4ccc(cc4)Br	1428
+C[Si](C)(C)CCOCOc1ccc(cc1)C#N	175
+C[Si](C)(C)CCOCn1nc(-c2ccc(cc2)OC)c3Cc4sc(cc4-c13)Br	1428
+C[Si](C)(C)CCOCn1c(C(c2ccc(cc2)[N+](=O)[O-])=O)ccc1	2481
+C[Si](C)(C)CCOCn1cc(c(-c2cc(C#N)ccc2)n1)-c3ccncc3	1428
+c1ccccc1CN(Cc2ccccc2)C3CC(c4cnc5n4c6c(n(cc6)COCC[Si](C)(C)C)nc5)C(C)C3	8733
+c1ccccc1CN(Cc2ccccc2)CC(c3cc(NC=O)c(OCOCC[Si](C)(C)C)cc3)O	175
+C[Si](C)(C)CCOCn1nc(I)c2cc([N+](=O)[O-])ccc12	1433
+C[Si](C)(C)CCOCn1nccc1	1428
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2nccc2nc(C(C)=NO)c1	1213
+C1COCCN1Cc2cc(n3ncc(-c4cnc5ccccc5c4)c3n2)N	8734
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(nc2n1ncc2)C(N)C	8735
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2ncc(I)c2nc(C(C)NC3CCOCC3)c1	1390
+C[Si](C)(C)CCOCN1C(C(=C(c2c(cc(cc2)O)C)N(C)C1=O)C)=O	16
+C[Si](C)(C)CCOCN1c2c(nc(Nc3c(nccc3)OC)nc2)N(C4CCOCC4)C1=O	949
+C[Si](C)(C)CCOCN1C(=O)C(=C(c2c(cc(cc2)OCc3ccccc3)C)N(C)C1=O)C	4580
+C[Si](C)(C)CCOCN1C(=O)C(CCC1)(CC#Cc2nc(cc(-c3cc(OCC)ccc3F)n2)C)NC(OC(C)(C)C)=O	1467
+C[Si](C)(C)CCOCN1C(c2c(ccc(c2)NS(=O)(=O)c3ccccc3)N=C1n4ncc(C(OCC)=O)c4)=O	69
+C[Si](C)(C)CCOCN1C(c2c(N=C1n3ncc(C(OCC)=O)c3)ccc(N)c2)=O	0
+C1COCCC1N2C(=O)Nc3cnc(nc23)Nc4c(nccc4)OC	8736
+C[Si](C)(C)CCOCOC(C)(C)COc1c(OC)cc(N)cc1	0
+C[Si](C)(C)CCOCOC(C)(C)c1cnc(cc1)C2(CCN(CC2)c3nnc(c(C)c3C)Cc4ccccc4)O	938
+c1ccccc1COc2c(Br)c(O)cc(-c3oc(C)cn3)c2	1434
+c1ccccc1COCC2Oc3c(OC2)ccc(CCNCC(O)c4ccc(c(c4)NC=O)O)c3	1434
+C[Si](C)(C)CCOCOc1cc(CCl)cc2c1cccc2	1331
+C[Si](C)(C)CCOCOc1c2c(cccc2)cc(c1)COC3C(c4ccc(cc4)F)CCNC3	25
+CC(C)Oc1ccc(-c2nc(-c3c4c(cco4)c(cc3)O)no2)cc1Cl	1434
+C[Si](C)(C)CCOCOc1c2ccccc2cc(c1)COC3C(c4ccc(cc4)F)CCN(C3)Cc5ccccc5	555
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3c(Cl)cc(O)cc3)cc1	1434
+C[Si](C)(C)CCOCOc1c(Br)c(OCc2ccccc2)cc(c1)-c3oc(cn3)C	2996
+CC(C)(C(=O)OCC)Oc1cc2c(cccc2)c(O)c1	1434
+C[Si](C)(C)CCOCOc1cc(c(C(=N)NO)cc1)Cl	181
+CC(C)Oc1ccc(cc1C#N)-c2nc(no2)-c3ccc(cc3)O	1434
+C[Si](C)(C)CCOCOc1ccc(cc1)C(=NO)N	253
+C[Si](C)(C)CCOCOc1c(cc(C(CNCCc2ccc3c(OC(COCc4ccccc4)CO3)c2)O)cc1)NC=O	132
+C[Si](C)(C)CCOCn1c(-c2nc(N)ncc2I)cc(C(OCC)=O)c1-c3cc(Cl)ccc3C	1154
+FC(F)Oc1c(-c2n[nH]cc2NC(=O)c3c4n(cccn4)nc3)cc(cc1)Cl	928
+C[Si](C)(C)CCOCn1c(-c2ccc(cc2)OCC(Nc3ccc(cc3)C#N)=O)nc4N=CN(C(=O)c14)CCC	648
+c1cc(ccc1-c2nc3c(N=CN(CCC)C3=O)[nH]2)OCC(Nc4ccc(cc4)C#N)=O	503
+C[Si](C)(C)CCOCn1c(C(=O)c2ccc3NC(Sc3c2)=O)ccn1	2229
+C[Si](C)(C)CCOCn1c(C(c2ccc(cc2)N)=O)ccc1	0
+C[Si](C)(C)CCOCn1c2cc(c(nc2cc1OCCC(O)=O)-c3ccc(cc3)-c4ccccc4)Cl	2154
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2ccc(c(Oc3cc(Br)cc(Cl)c3)c2F)Cl)=O)Cl	312
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2c(F)c(Oc3cc(cc(c3)C#N)Br)c(cc2)Cl)=O)Cl	312
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2c(c(Oc3c(Cl)c(F)cc(C#N)c3)c(Cl)cc2)F)=O)Cl	312
+C[Si](C)(C)CCOCn1c(OCCC=O)cc2nc(-c3ccc(cc3)-c4ccccc4)c(cc12)Cl	24
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(C3=CCCCC3)cc(cc2)C4CNS(NC4)(=O)=O	616
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C=3CCCCC=3)C(COC(=O)C)COC(=O)C	616
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(Br)cc2C3=CCCCC3	616
+C[Si](C)(C)CCOCn1c(Br)nc(C(=O)O)c1	1
+C[Si](C)(C)CCOCn1c2c(cccc2)nc1Oc3ccc(cc3)-c4c5nc(cn5ccc4)C	2200
+c1cc(ccc1-c2c3c(-c4c(scc4)C3)n[nH]2)Nc5ccc(cc5)F	928
+c1cc(ccc1-c2c3c(-c4c(scc4)C3)n[nH]2)Nc5ccc(cc5)OC	928
+C[Si](C)(C)CCOCn1c2c(N=C(N(CC(C)C)C2=O)Oc3c(C)nccc3)nc1C4CCCC4	8737
+C1CCC(C1)c2nc3c([nH]2)N=C(Oc4c(C)nccc4)N(CC(C)C)C3=O	503
+C[Si](C)(C)CCOCn1c2nccc(Nc3c(F)cc(cc3)[N+](=O)[O-])c2c(c1)C(F)(F)F	698
+C[Si](C)(C)CCOCn1cc(-c2ccc(cc2)O)c3c(NC4CCCC4)nc(nc13)Nc5ccc(C(NC)=O)cc5OC	55
+CC(C)(CO)CNC(=O)c1c2nc(-c3nn(C)c4cc(F)ccc34)cnc2[nH]c1	1057
+C[Si](C)(C)CCOCn1c2c(c(C(NCC(C)O)=O)c1)c(-c3cccc(c3)[N+]([O-])=O)ncn2	56
+C[Si](C)(C)CCOCn1c2ncnc(-c3ccc(cc3C)C)c2c(c1)C(=O)N	393
+c12cnc(C#N)cc1c3c(OCC4CCCCN4C)ccnc3[nH]2	4581
+C[Si](C)(C)CCOCn1c2cnc(C#N)cc2c3cc(cnc13)Cl	3918
+C[Si](C)(C)CCOCn1c2c(c3cccnc13)cc(C#N)nc2	2005
+C[Si](C)(C)CCOCn1c2ncc(C(O)C)c(c2cc1)NC3CCCCC3	652
+C[Si](C)(C)CCOCn1c2c(c(C(=NN)C3CCCCC3)ncn2)cc1	8738
+c1cc(ccc1Oc2[nH]c3ccccc3n2)-c4c5n(ccc4)cc(C)n5	8739
+C[Si](C)(C)CCOCn1c2ccc(NC=O)cc2cn1	753
+C[Si](C)(C)CCOCn1cc(c2nc(N3C(=O)c4c(C3)c(Cl)ccc4)cnc12)C(=O)O	2230
+C1CN(c2c3cc(ccc3ncn2)-c4cnc5c(c4)nc(C)[nH]5)c6ccccc6C1	8740
+c1cc(ccc1-c2ccccc2)-c3c(Cl)cc4[nH]c(cc4n3)OCCC(=O)O	8741
+C[Si](C)(C)CCOCn1nc(C(=O)O)c2c1cc(Br)cc2	1
+C[Si](C)(C)CCOCn1c2ccc(cc2cc1)C(c3ccccc3C#N)O	257
+C[Si](C)(C)CCOCn1c2c(cc(cc2)C#C)cn1	75
+C[Si](C)(C)CCOCn1c2ccc(NC)cc2cn1	695
+C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c4c1ccc([N+]([O-])=O)c4	567
+C[Si](C)(C)CCOCn1c2ccc([N+](=O)[O-])cc2c(C=O)n1	2231
+C[Si](C)(C)CCOCn1c2ccc(C(=O)c3ccccc3C#N)cc2cc1	335
+Clc1cnc2c(c3c(cnc(C#N)c3)[nH]2)c1	4581
+C[Si](C)(C)CCOCn1c2cnc(c(F)c2c3c1nccc3)C#N	577
+C1C(CC1)Oc2cc(-c3[nH]c4c(c(O)nnc4)c3Cl)ccc2OC	8742
+C[Si](C)(C)CCOCn1cc(C(=O)NC(C)(C)C)c2c1nc(c(Nc3cnn(C)c3)n2)C	8743
+C[Si](C)(C)CCOCn1c2c(c(NC3CCCC3)nc(Cl)n2)c(-c4ccc(cc4)O)c1	2123
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(c2c(F)c1)Oc4cc(ccc4)N	0
+C(Nc1cccc(Oc2c3c(F)c[nH]c3nc(Nc4ccn(C)n4)n2)c1)(C=C)=O	762
+C1CN(CCN1c2c(F)cccc2)c3nc4c(c(n3)O)ccn4CO	4582
+CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)Br	1057
+C[Si](C)(C)CCOCn1cc(c2nc(Nc3cnc(C)cc3)cnc12)C(=O)NC(C)(C)C	8744
+C[Si](C)(C)CCOCn1cc(c2nc(Nc3ccc(cc3)CO)cnc12)C(=O)C(C)(C)C	8745
+C[Si](C)(C)CCOCn1c2c(nc(cn2)-c3cn(CC)nc3)c(c1)C(O)=O	2230
+c1cc(ccc1CN2C(N(C3CCCCC3C)c4c5cc[nH]c5ncc24)=O)C#N	762
+C[Si](C)(C)CCOCn1c2ncc3N(Cc4ccc(cc4)C#N)C(N(C5CCCCC5C)c3c2cc1)=O	8746
+FC(F)(F)c1c[nH]c2nccc(Nc3c(F)cc(cc3)[N+](=O)[O-])c12	762
+n1cnc2[nH]cc(C#N)c2c1-c3ccc(C)cc3C	762
+C[Si](C)(C)CCOCn1c2ncnc(-c3c(C)cc(cc3)C)c2c(c1)C#N	1014
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)-c3cnn(C4(CC(C4)COC)CC#N)c3	21
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(c3)C(C)(C)CCO)c2cc1	44
+CC(C)NC(=O)c1ccc(N2CC(C2)(n3ncc(c3)-c4ncnc5c4cc[nH]5)CC#N)c(c1)F	762
+CC(C)(CCO)n1ncc(-c2ncnc3c2cc[nH]3)c1	762
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1	24
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)-c3cnn(C4(CC(C4)CO)CC#N)c3	88
+C[Si](C)(C)CCOCn1cc(C2=NN3C(=NNC3=S)C=C2)cn1	8747
+C[Si](C)(C)CCOCn1nc(c(-c2ccncc2)c1)-c3cc(CNC(c4ccc(cc4)C(F)(F)F)=O)ccc3	93
+N1CC(CNS1(=O)=O)c2ccc(NC(=O)c3nc(c[nH]3)C#N)c(C4=CCCCC4)c2	503
+CC1(C)CCC(=CC1)c2c(ccc(c2)CCS(=O)(=O)N(C)C)NC(=O)c3nc(c[nH]3)C#N	503
+C1CN(CCC1c2ccc(c(C3=CCCCC3)c2)NC(=O)c4nc(c[nH]4)C#N)C(NCCO)=O	503
+CC1(C)CCC(c2cc(ccc2NC(=O)c3nc(c[nH]3)C#N)Br)=CC1	503
+C1C(=O)N(C(CC1c2cc(c(cc2)NC(=O)c3nc(c[nH]3)C#N)C4=CCCCC4)=O)C	503
+CC1(C)CCC(c2c(ccc(CCC(=O)N)c2)NC(=O)c3nc(c[nH]3)C#N)=CC1	503
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(C=3CCCCC=3)cc(cc2)C(CO)CO	59
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C=3CCCCC=3)C(CO)COC(C)=O	59
+C1N(CC1C#N)C(C(C2CC2)NC(=O)c3c[nH]c4c3nc(cn4)N5Cc6c(cccc6Cl)C5=O)=O	1057
+C1CC1c2nc3c(c[nH]c3nc2)C(NC(C)CC(NCC)=O)=O	1057
+C1CC1C(C(C)(C)C(=O)N)NC(c2c3nc(cnc3[nH]c2)C4CC4)=O	1057
+C[Si](C)(C)CCOCn1cc(C(NC(C(C)(C)C(=O)N)C2CC2)=O)c3c1ncc(C4CC4)n3	645
+C1CC(CCO1)NC(=O)c2c[nH]nc2-c3sc4c(CCCC4)n3	928
+C[Si](C)(C)CCOCn1c2c(c(c1)C(O)=O)c(-c3cc(ccc3)[N+]([O-])=O)ncn2	6
+C[Si](C)(C)CCOCn1ncc(c1)-c2ccc3n(n2)c(nn3)Sc4cc5c(nccc5)cc4	4583
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(Oc4cccc([N+](=O)[O-])c4)c2c(F)c1	1618
+C[Si](C)(C)CCOCn1cc(-c2ccncc2)c(-c3cc(ccc3)CN)n1	107
+C[Si](C)(C)CCOCn1cc(c(-c2sc3CCCCc3n2)n1)C(=O)O	6
+C[Si](C)(C)CCOCn1cc(c2c(nc(Cl)nc12)Cl)-c3ccncc3	2997
+c12c(n(cc1-c3cc(ccc3)C#N)CO)ncnc2Cl	4582
+C[Si](C)(C)CCOCn1cc(F)c2c(Oc3cc([N+](=O)[O-])ccc3)nc(nc12)Cl	8748
+C[Si](C)(C)CCOCn1c2c(c(C(O)=O)c1)nc(-c3c4ccc(cc4n(C)n3)F)cn2	2230
+C[Si](C)(C)CCOCn1c2ncc(Br)nc2c(C(=O)O)c1	2230
+CC(C)(C)C(C(N1CCC(CC1)(O)c2ccccc2)=O)NC(=O)c3c4c([nH]c3)ncc(n4)C5CC5	1057
+CC(C)(C)C(=O)c1c2c(ncc(Nc3ccc(cc3)C=C(C(N)=O)C#N)n2)[nH]c1	1057
+C[Si](C)(C)CCOCn1cc(c2nc(cnc12)Nc3ccc(cc3)C=O)C(=O)C(C)(C)C	39
+CC(C)(C)NC(=O)c1c[nH]c2c1nc(Nc3cnc(C)cc3)cn2	1057
+C[Si](C)(C)CCOCn1cc(c2nc(Nc3ccc(cc3)C=C(C(N)=O)C#N)cnc12)C(=O)C(C)(C)C	2204
+C[Si](C)(C)CCOCn1cc(c2nc(Nc3ccc(cc3)C=C(C(NC)=O)C#N)cnc12)C(=O)C(C)(C)C	2204
+FC(F)(F)c1cnc([nH]1)-c2ncc(-c3cnc(cc3C)OCC4(CCC4)C(O)=O)cc2Cl	503
+C[Si](C)(C)CCOCn1cc(nc1-c2c(Cl)cc(cn2)-c3cnc(cc3C)OCC4(CCC4)C(O)=O)C(F)(F)F	3
+FC(F)(F)c1c[nH]c(-c2ccc(cc2Cl)-c3c(C)cc(OCC4(CCC4)C(O)=O)nc3)n1	503
+C[Si](C)(C)CCOCn1cc(nc1-c2ccc(cc2Cl)-c3c(C)cc(OCC4(CCC4)C(O)=O)nc3)C(F)(F)F	3
+CC1(C)CCC(=CC1)c2c(cc(C(=O)C)cc2)NC(c3nc(c[nH]3)C#N)=O	503
+CC1(C)CC=C(CC1)c2cc(C3(CCS(CC3)(=O)=O)C#N)ccc2NC(=O)c4[nH]c(C#N)cn4	503
+C[Si](C)(C)CCOCn1cc(nc1C=NO)C(F)(F)F	4584
+C[Si](C)(C)CCOCn1nc2c(cc(cc2c1)F)C(OC(=N)C(Cl)(Cl)Cl)C	1664
+C[Si](C)(C)CCOCn1ccc(-c2nc3ccc(c(NC(=O)CNc4ccc(cc4)F)c3cc2)Cl)n1	1391
+c1cc(ccc1F)NCC(=O)Nc2c(ccc3nc(ccc23)-c4n[nH]cc4)Cl	928
+O=S(=O)(N1CCN(CC1)CC(n2cc(cn2)-c3ncnc4[nH]ccc34)C)c5nn(cc5)C	762
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(C(C)CN4CCN(CC4)S(=O)(=O)c5nn(cc5)C)nc3)ncnc12	2043
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(C(C)CN4CCNCC4)nc3)ncnc12	62
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C(CC#N)C4CN(CC4)c5nc(ccc5)Cl)nc3	43
+C[Si](C)(C)CCOCn1c2c(cc1)c(ncn2)C(C3CCCCC3)=O	955
+C[Si](C)(C)CCOCn1ccc2c(O)nc(Cl)nc12	4585
+c1cc(ccc1)CN2CC(C(C)CC2)N(C)c3c4cc[nH]c4ncc3	762
+C[Si](C)(C)CCOCn1c2ncc3NC(=O)N(C4C(CCCC4)C)c3c2cc1	8749
+C[Si](C)(C)CCOCn1ccc2c(N(C)C3CN(CCC3C)Cc4ccccc4)ccnc12	1635
+C[Si](C)(C)CCOCn1ccc2c(ccnc12)Nc3ccc([N+](=O)[O-])cc3F	1215
+c1(ncnc2[nH]ccc12)-c3cn(C(C4CN(CC4)c5nc(Cl)ccc5)CC#N)nc3	762
+C1CC(CCC1CC#N)n2cc(cn2)-c3ncnc4c3cc[nH]4	762
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C4CCC(CC4)COS(=O)(=O)C)nc3	7
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C4CCC(CC4)CC#N)nc3	300
+C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)C4CCNC4)c3)ncnc12	62
+CN(c1c2c([nH]cc2)ncc1)c3ccc([N+]([O-])=O)cc3F	762
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cnn(C(C4CN(C(=O)OCc5ccccc5)CC4)CC#N)c3	3744
+C[Si](C)(C)CCOCn1ccc2c1ncnc2-c3cn(C(CN4CC(C(CC4)OC(=O)c5ccccc5)F)CC#N)nc3	1647
+C[Si](C)(C)CCOCn1ccc2c1ncnc2-c3cn(C(CC#N)CN4CC(F)C(O)CC4)nc3	682
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CNCC(F)(F)F)=O)cnc12	110
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)C=O)=O)cnc12	24
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CO)=O)cnc12	35
+c1(Cl)c([nH]cn1)C(NCc2ccc(Cl)c(Oc3cc(cc(Br)c3)C#N)c2F)=O	503
+Clc1cc(cc(Oc2c(Cl)ccc(c2F)CNC(c3c(Cl)nc[nH]3)=O)c1)C#C	503
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2c(F)c(c(cc2)Cl)Oc3cc(Cl)cc(C#C)c3)=O)Cl	75
+c1(Cl)c([nH]cn1)C(NCc2ccc(Cl)c(Oc3cc(cc(c3Cl)F)C#N)c2F)=O	503
+C1COCCN1C(=O)c2c(O)ccc(-c3cc4c([nH]nc4nc3)-c5ccccc5OC)c2	8750
+C[Si](C)(C)CCOCn1c2c(c(-c3nc4ccccc4[nH]3)n1)cc(N)cc2	0
+C[Si](C)(C)CCOCn1nc(c2cc(ccc12)C3OCCO3)I	1435
+C[Si](C)(C)CCOCn1c2ccc(cc2c(n1)C#Cc3cc(ccc3)F)[N+](=O)[O-]	2349
+FC(F)(F)c1ccc(cc1)C(=O)NCc2cccc(-c3c(-c4ccncc4)cn[nH]3)c2	928
+C[Si](C)(C)CCOCn1nc(-c2ccc(cc2)Nc3cnccc3)c4c1-c5c(scc5)C4	2998
+C[Si](C)(C)CCOCn1c-2c(c(-c3ccc(cc3)Nc4ccc(cc4)F)n1)Cc5sccc-25	230
+C[Si](C)(C)CCOCn1c-2c(c(-c3ccc(cc3)Nc4ccc(cc4)OC)n1)Cc5sccc-25	230
+C[Si](C)(C)CCOCn1c2-c3ccsc3Cc2c(-c4ccc(cc4)Nc5ccncc5)n1	230
+c1cc(ccc1OC)-c2[nH]nc-3c2Cc4sc(-c5ccc(cc5)F)cc-34	928
+C[Si](C)(C)CCOCn1cc2cc(cc(C(O)C)c2n1)F	2129
+C[Si](C)(C)CCOCn1cc(-c2ccc(NN)nn2)cn1	599
+C[Si](C)(C)CCOCn1ncc([N+]([O-])=O)c1-c2c(ccc(Cl)c2)OC(F)F	8751
+c1(c(F)c(c(c(OC)c1)F)N2C(C3(CC3)c4c(cnc(-c5n[nH]cc5[N+]([O-])=O)c4)C2)=O)OC	928
+C[Si](C)(C)CCOCn1c(-c2c(ccc(Cl)c2)OC(F)F)c(cn1)N	209
+c1(n2c(nn1)ccc(-c3c[nH]nc3)n2)Sc4ccc5ncccc5c4	928
+C[Si](C)(C)CCOCn1ncc2c1cc(N)c(CNC(c3ccccc3)C)n2	473
+C[Si](C)(C)CCOCn1ncc2c1cc(NC(OC(C)(C)C)=O)c(CNC(c3ccccc3)C)n2	294
+C[Si](C)(C)CCOCn1c2c(cn1)cc(cc2)N	0
+n1cc(-c2cc3c[nH]nc3cc2)ccc1	8752
+C[Si](C)(C)CCOCn1ncc2cc(-c3cccnc3)ccc12	1617
+C[Si](C)(C)CCOCn1ncc2c1cc(c(C=O)n2)NC(=O)OC(C)(C)C	1436
+C[Si](C)(C)CCOCn1c(C(c2cc3c(NC(=O)S3)cc2)O)ccn1	4586
+C[Si](C)(C)CCSc1cc(c(OCc2ccccc2)c3ncccc13)Cl	2039
+c1ccc(cc1C2(c3cccc(c3)Cl)C4CN(CC4C(CC2)=O)Cc5ccccc5)Cl	8753
+C[Si](C)(C)Cn1cc(-c2nc(ccc2)Br)nn1	8754
+C[Si](C)(C)CNC(=S)c1cc(c(cc1)Br)C	581
+C[Si](C)(C)CNC(=S)c1cc(C#N)c(cc1)-n2ncnc2	581
+C[Si](C)(C)OC(N=Cc1cc(I)ccc1OCC=C)=C	4587
+C[Si](C)(C)OC(=C)N=Cc1cc(ccc1Oc2ccc(cc2)OC)Br	4587
+C[Si](C)(C)c1c(C(=O)NCC)c(ccc1Cl)Cl	1091
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(C#C[Si](C)(C)C)n3)n1)C	4182
+C[Si](C)(C)OC(CC#C)(C(F)F)CCCC	19
+C[Si](C)(C)c1c(F)c(ccc1Br)F	1091
+C[Si](C)(C)OC(CC#C)CCCC	19
+C[Si](C)(C)c1ccc(Br)cc1F	1803
+C[Si](C)(C)c1c(cc(cc1F)Cl)F	1091
+C[Si](C)(C)C1c2cc(ccc2-c3n(c4c(c(C)cc(c4)C)c13)C)F	8755
+C[Si](C)(C)OC(=C)CCOCc1ccccc1	8756
+C[Si](C)(C)c1cccc(c1C(NCC)=O)Cl	1091
+C[Si](C)(C)OC1C(NC1=O)c2ccccc2	1952
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)C(OC)=O	19
+c1cc(ccc1Br)-c2c(C(=O)OCC)n(nn2)C	2999
+c1(-c2nc(ccc2)Br)nnn(C)c1	2999
+C1CN(CCC1Cn2ccc3cc(-c4cn(C)nn4)ccc23)C(CCc5ccccc5)=O	2999
+c1ccccc1C2CC(c3c(O2)cc(c(c3)-c4cccnc4F)F)=NC#N	8757
+c1cc(ccc1)Cc2cn(c3c2cccc3)CCN(C(=O)N)O	3595
+c1cc(ccc1OC)-c2nc(oc2-c3ccc(cc3)OCCNC(=O)N)OC	8758
+Clc1cccc(Cl)c1COc2ccc3c(cc(n3CCCc4[nH]nnn4)C(NCC(C)C)=O)c2	3988
+FC(F)(F)c1cn(nn1)-c2c(-c3cc(OC)ncn3)cc(C)cc2	8759
+FC(F)(F)C(Nc1ncc(c2c1c3c(cc(cc3)-c4[nH]nnc4)[nH]2)C(=O)N)C5CC5	8760
+FC(F)(F)c1ccc(-n2c(nnn2)COC(C)=O)cc1C#N	3779
+FC(F)(F)c1cccc(CN2C(=O)N(c3ccc(cc3)N4CCOC4=O)C=C(c5[nH]nnn5)C2=O)c1C	3563
+FC(F)(F)c1c(C)c(CN2C(C(c3[nH]nnn3)=CN(c4ccc5c(N(C)C(=O)N5C)c4)C2=O)=O)ccc1	8761
+c1(-c2ccc(Cl)c(c2)CNC(OC)=O)[nH]nnc1	3000
+c1ccccc1C(C(OCC)=O)c2[nH]nnn2	8762
+c1cc(ccc1)-c2n(nnn2)Cc3ccccc3	2497
+c1cc(ccc1)Cn2nnnc2C3CCCN3C(=O)OCc4ccccc4	4164
+c1ccccc1COc2c(-c3nnnn3CCCOC)cc(c(OCc4ccccc4)c2)Br	2497
+c1ccccc1N=[N+]=[N-]	8763
+c1cc(ccc1)S(=O)(=O)c2cccc3cc([nH]c23)C(=O)Nc4c(cc(cc4)I)-c5[nH]nnn5	2162
+c1cc(ccc1-c2nnn[nH]2)C(=O)N(OC)C	2162
+c1cc(ccc1-c2[nH]nnn2)CCC(C=Cc3c(cccc3)OCCCCCc4ccccc4)CCCCC(OCC)=O	1711
+c1cc(ccc1OCCCCOc2c(C)c(c(cc2)C(CCC)=O)O)-c3[nH]nnn3	2162
+c1cc(ccc1OCCCCOc2ccc(c(c2Br)O)C(C)=O)-c3[nH]nnn3	4440
+c1cc(ccc1CN2C(C=CC(c3ccc(cc3)Cc4nnn[nH]4)=C2)=O)Cl	3895
+c1cc(ccc1CC2=C(n3c(ccn3)N(C4CCOCC4)C2=O)CCC)-c5ccccc5-c6[nH]nnn6	8764
+c1cc(ccc1F)-c2oc3ccc(cc3c2C(NC)=O)-c4cccc(-c5nnn[nH]5)c4	1711
+c1cc(ccc1F)-n2ccc3c2ccc(-c4nn[nH]c4)c3	3000
+c1cc(ccc1F)COc2cc(c(cc2)N3C(NN=N3)=O)F	8765
+c1cc(ccc1S(=O)(=O)n2ncc3c(cc(cc23)Br)-c4nnn[nH]4)C	1711
+c1cc(ccc1)-c2[nH]nnc2-c3c4c(nc(OC)c(OC)n4)cc(Cl)c3Cl	8766
+c1cc(ccc1CC=2C(=O)N(Cc3ccccc3)C(C)=CC=2OCCC)-c4ccccc4-c5[nH]nnn5	1711
+c1ccccc1CN2CCC(CC2)c3nnnn3C	4199
+c1nc(NC2c3cc(-c4[nH]nnc4)ccc3N(C(C)C2)C(=O)C)ccc1C	3000
+C[Si](C)(C)OC(C=1N2C(C(NC=O)C2S(CC=1CBr)=O)=O)=O	8767
+O(C)CCOc1ccnc(N)c1	2987
+c1cc(ccc1-c2ccccc2)COCc3ccc(nc3)N	2987
+c1ccccc1C(c2ccccc2)=CCN3CCN(CC3)c4ccc(cc4)C(=N)N	8768
+CC(C)(C)OC(=O)Oc1cc(C#CC(C)(C)O[Si](C)(C)C)c(-c2c(ccc(OC)c2)F)cc1	1247
+C[Si](C)(C)OC(C)(C)C#CC(=O)c1ccc(cc1)C#N	8769
+c1cc(ccc1C(C#CC(C)(C)O)=O)C#N	4144
+C[Si](C)(C)OC(CCCC)CC=CI	8770
+OC(CC=CI)CCCC	353
+c1cc(ccc1)C(C(C)(C)C(OC)=O)c2cc3c(cc2)c(n[nH]3)-c4ccccc4	8771
+OC(C(=O)OC)c1csc(C)n1	8772
+C[Si](C)(C)c1ccc(cc1)C=C(F)c2nn(c(C)c2)Cc3ccnc(c3)N4CCN(CC4)C5CC5	3001
+C1CC1N2CCC(CC2C)Nc3nc(-c4c(Cl)ccc(O)c4)nc(-c5c(C)noc5C)c3C	3001
+C1CC1N2CCc3cc([N+]([O-])=O)ccc3CC2	3001
+Clc1ccc2SCCC(C(=O)O)c2c1	8773
+C[Si](C)(C)OC1C(O)C(OC(CO[Si](C)(C)C)C1O)c2cc(Cc3ccc(cc3)OCCOC4CCCCC4)c(cc2)Cl	353
+C[Si](C)(C)OCC1OC(c2ccc(Cl)c(Cc3ccc(cc3)COC4CC4)c2)(OC)C(C(C1O)O)O[Si](C)(C)C	353
+C[Si](C)(C)OCC1OC(c2cc(c(Cl)cc2)Cc3ccc(cc3)OC(F)(F)F)(OC)C(C(C1O)O)O[Si](C)(C)C	353
+C[Si](C)(C)OCC1OC(c2cc(c(Cl)cc2)Cc3ccc(cc3)OCC(F)F)(OC)C(C(C1O)O)O[Si](C)(C)C	353
+C[Si](C)(C)OCC1OC(c2ccc(c(c2)Cc3ccc(cc3)OCCOC4CCCCC4)Cl)C(O)C(O)C1O	353
+c1cc(ccc1COC2CC2)Cc3c(ccc(C4(OC(CO)C(C(O)C4O)O)OC)c3)Cl	353
+c1cc(ccc1Cc2cc(C3(OC(CO)C(C(O)C3O)O)OC)ccc2Cl)OCC(F)F	353
+C[Si](C)(C)OC1C(C(CO[Si](C)(C)C)OC(c2cc(Cc3ccc(cc3)COC4CC4)c(Cl)cc2)(OC)C1O[Si](C)(C)C)O	353
+C[Si](C)(C)OC1C(C(CO[Si](C)(C)C)OC(c2ccc(Cl)c(c2)Cc3ccc(cc3)OCC(F)F)(OC)C1O[Si](C)(C)C)O	353
+C[Si](C)(C)OC1C(C(CO[Si](C)(C)C)OC(c2cc(c(Cl)cc2)Cc3ccc(cc3)OC(F)(F)F)(OC)C1O[Si](C)(C)C)O	353
+C[Si](C)(C)OC1C(C(CO[Si](C)(C)C)OC(C1O)c2cc(c(Cl)cc2)Cc3ccc(cc3)OCCOC4CCCCC4)O[Si](C)(C)C	353
+C[Si](C)(C)OCC1OC(C(C(O)C1O)O[Si](C)(C)C)(OC)c2c(CCCOCC#CC)cc(c(c2)Cc3ccc(cc3)OCC)Cl	353
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)COC	21
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)CO	88
+c1cc(ccc1OCC)Cc2c(Cl)cc(CCCOCC#CC)c(c2)C3(OC)C(C(C(C(CO)O3)O)O)O	353
+C[Si](C)(C)OCC1OC(C(C(O)C1O)O)(c2c(CCCOCC#CC)cc(Cl)c(Cc3ccc(cc3)OCC)c2)OC	353
+FC(F)(F)Oc1ccc(cc1)Cc2c(Cl)ccc(C3(OC(CO)C(O)C(O)C3O[Si](C)(C)C)OC)c2	353
+C[Si](C)(C)OC1C(OC(CO)C(O)C1O)(c2ccc(Cl)c(Cc3ccc(cc3)OCC(F)F)c2)OC	353
+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(c2cc(Cc3ccc(cc3)OCC)c(cc2CCCOCC#CC)Cl)(OC)OC(CO[Si](C)(C)C)C1O	353
+C[Si](C)(C)OC1C(OC(CO)C(O)C1O)(c2cc(c(Cl)cc2)Cc3ccc(cc3)COC4CC4)OC	353
+c1cc(ccc1OCCOC2CCCCC2)Cc3c(ccc(C4C(O)C(O)C(O)C(CO)O4)c3)Cl	353
+C[Si](C)(C)OCCCNc1nc2N(C(=O)C(=Cc2cn1)c3c(Cl)cc(-c4nc(C)cnc4)cc3)CC	96
+c1ncc(-c2cc(Cl)c(C3=Cc4c(N(C3=O)CC)nc(nc4)NCCCO)cc2)nc1C	353
+N#Cc1nccc(CO)c1	353
+C[Si](C)(C)ONC(C(S(=O)(=O)C)(C)CCc1cnc(Br)cc1)=O	293
+c1cnccc1Cc2nc(on2)C(CCCC3CCCCC3)CC(NO)=O	3669
+C1CC(CCC1)CCCC(CC(NO)=O)c2nc(C(N3CC(C3)C(OC)=O)=O)no2	4588
+O=S(=O)(C)C(C(=O)NO)(CCc1cnc(Br)cc1)C	4588
+C[Si](C)(C)OC(c1ccc(cc1)-n2cncn2)=C	8774
+c1cc(ccc1)-c2c[nH]c3c2cc(Cl)cc3[N+]([O-])=O	8775
+C[Si](C)(C)c1c(c(F)c(C(=O)O)cc1Br)F	634
+C[Si](C)(C)c1c(c(-c2cc(cnn2)-c3ccc(F)c(-c4c(F)cccc4C#N)c3)ncc1F)F	8776
+N#Cc1c(c(F)ccc1)-c2cc(ccc2F)-c3cc(-c4c(cc(cn4)F)F)nnc3	8777
+c1c(c(C=O)c(Cl)cc1F)F	4589
+O=Cc1c(Cl)cc(c(c1F)I)F	1058
+CC1(C)C(N(C)c2c(c(ccc12)I)F)=O	1058
+O=Cc1c(c(F)cc(c1)Br)F	4589
+C[Si](C)(C)c1c(cc(C(Cc2ccc(cc2)Cl)=O)c(F)c1F)Br	8778
+C[Si](C)(C)c1cc(nnc1Cl)NN	599
+C[Si](C)(C)c1c2n(Cc3cccc(F)c3)c(cc2ccc1)C(=O)O	6
+C[Si](C)(C)c1cc(F)c(cc1)Nc2c(C(OCC)=O)oc3ccncc23	4590
+C[Si](C)(C)c1cc(c(cc1)Nc2c(oc3c2c(Cl)ncc3)C(OCC)=O)F	4590
+c1c(I)cc(c(c1)NC=2C(=C3SCCN3C(C=2C)=O)[N+]([O-])=O)F	1058
+c1c(I)cc(c(Nc2c3c(oc2C(=O)OCC)ccnc3)c1)F	1058
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(nc(nc3OC)NCCO)OC)=O	118
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(nc(nc3OC)NCCN)OC)=O	273
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(nc(nc3OC)NCCOS(=O)(=O)C)OC)=O	7
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(nc(nc3OC)NCCNCc4ccccc4)OC)=O	285
+c1c(I)cc(c(c1)NC2=C(C(N3C(OCC3)=C2[N+]([O-])=O)=O)C)F	1058
+c1c(I)cc(c(Nc2c3c(oc2C(=O)OCC)ccnc3Cl)c1)F	1058
+C[Si](C)(C)c1cccc(c1)C#Cc2cc(Br)ccc2	129
+C[Si](C)(C)c1cccc(C=C(N=[N+]=[N-])C(=O)OCC)c1	8779
+C[Si](C)(C)c1cc(NNC(c2c(F)cccc2)=O)nnc1Cl	1798
+C[Si](C)(C)c1cc2cc(C(OCC)=O)n(Cc3cc(ccc3)C)c2cc1	8780
+c1c(I)cc(c(Nc2c(ncc(CNC=O)n2)C(=O)OC)c1)F	1058
+C[Si](C)(C)c1ccc(c(F)c1)Nc2nc(cnc2C(OC)=O)CN	4212
+C[Si](C)(C)c1cc(F)c(cc1)N	0
+CC(C)(C)OC(c1c(Nc2c(cc(I)cc2)F)c3cnsc3cc1)=O	1058
+C[Si](C)(C)c1ccc(Nc2nc(C#N)cnc2C(=O)OC)c(F)c1	8781
+C[Si](C)(C)c1ccc(Nc2c(ncc(n2)CNC=O)C(OC)=O)c(F)c1	707
+C[Si](C)(C)c1ccc(cc1)C#Cc2cccc(Br)c2	129
+C[Si](C)(C)c1ccc(cc1)C=C(F)c2nn(Cc3ccnc(Cl)c3)c(C)c2	1944
+C[Si](C)(C)c1ccc(cc1)CNCCc2cccc(C(F)(F)F)c2	42
+C[Si](C)(C)c1ccc(cc1)CN(CCc2cc(ccc2)C(F)(F)F)C(=O)c3c4[nH]ccc4cc(Cl)c3F	211
+C[Si](C)(C)c1ccc(cc1)-n2c(C)c(cc2-c3c(Cl)cc(cc3)Cl)C(=O)OCC	4591
+C[Si](C)(C)c1ccc(cc1)N	0
+C[Si](C)(C)c1cc2c([nH]c(C(=O)OCC)c2)cc1	4592
+C[Si](C)(C)c1c(ccc(Cl)c1C(=O)NCC)[N+]([O-])=O	8782
+C[Si](C)(C)c1nn(c(c1)C(=O)O)-c2ccc(cc2)OCCN3CCOCC3	6
+C[Si](C)(C)c1nn(-c2ccc(cc2)O)c(C(=O)OCC)c1	186
+c1cc(ccc1C)S(=O)(=O)OCCC[Si](C)(C)CCCC	36
+c1cc(ccc1[Si](C)(C)CCl)Cl	1803
+C(C)N(CC)C(=O)c1c(ccc2c1cccc2)[Si](C)(C)CI	8783
+O(C)c1c(F)cc2C(C(Cc2c1C)CCCC)=O	8784
+c12c(nc[nH]1)c(c(N)cc2)C	8785
+c1cc(ccc1F)-c2n(-c3ccccc3)c4c(nc(C(=O)OCC)c(O)c4c2C#N)C	8786
+Clc1ccc2ccc(COc3cc4c(OCc5c(C4SCCc6nnn[nH]6)cccc5)cc3)nc2c1	4049
+c1cc(ccc1Cn2c(nc3cccc(C(=O)OCC)c23)OCC)-c4ccccc4-c5[nH]nnn5	8787
+c1cc2c(cc(cn2)C#N)cc1Cc3cc(ccn3)C(=O)OC	8788
+c1cc(ccc1N2C(OC(Cn3nnc(c3)C)C2)=O)-c4ccc(C=5CC(CO)ON=5)s4	8789
+CC(C)(C)[Si](C)(C)OCC1CC(=NO1)c2ccc(cc2)-c3ccc(cc3)N4CC(Cn5ccnn5)OC4=O	8790
+O=S(=O)(c1cnc(cc1)-c2cnc(c(-c3sc4C(NCCc4c3)=O)c2)N)N(C)CC	8791
+c1cc(C(=O)c2c(C)n(c3ccccc23)CCNc4ccc(c(c4)OC)C(OC)=O)c5c(cccc5)c1	1277
+Cc1ccccc1-c2ncncc2N	193
+Cc1c(cccc1)-c2c(ccc(I)c2C)SC	158
+FC(F)(F)c1c(Cl)cc(cc1)C(=O)N(C)c2cnccc2-c3ccccc3C	3002
+FC(F)(F)c1ccc(c(C(N(C)c2c(ccnc2)-c3ccccc3C)=O)c1)F	4593
+Cc1c(-c2cc3ncc([N+]([O-])=O)c(c3cc2OC)Cl)c(C)on1	120
+Cc1c(-c2cc3ncc4nc(n(Cc5ncccc5)c4c3cc2OC)N)c(C)on1	8792
+Cc1c(-c2cc3c(c(c(N)cn3)NC(C)COC)cc2OC)c(C)on1	13
+Cc1c(-c2cc3c(c(c(N)cn3)NCc4ncccc4)cc2OC)c(C)on1	13
+Cc1c(-c2cc3c(c(c([N+]([O-])=O)cn3)NC(C)COC)cc2OC)c(C)on1	105
+Cc1nc(O)ccc1-c2cn3c(ncc3)cc2	2203
+C(Nc1nc(C)c(-c2csc(CC#N)n2)s1)(=O)n3cncc3	8793
+OCc1ccc(C)c(-c2ncccc2)n1	59
+O=S(=O)(CCN1Cc2cccc(Nc3nc(-c4ccccn4)c(C)cc3)c2CC1)C	781
+Cc1c(-c2nnc(SCCCN3CC4(CC3)CCc5cc(Cl)ccc45)n2C)sc(C)n1	53
+FC(F)(F)C(CC(=O)c1ccc(-c2occc2)c(C)c1)=O	1219
+O=S(=O)(OCCCOc1cc(Nc2cc(-c3c(-c4cnccc4)c(C#N)c(SC)s3)c(cc2)C)ccc1)C	7
+Cc1nn(-c2ccc(cc2F)O)c(I)c1C#N	8794
+Cc1c(C#N)c(n(-c2ccc(cc2F)O)n1)N	5
+Cc1c(nc2n1nc(cc2)Cl)C#N	1751
+Cc1noc(C)c1C(Nc2cc(ccc2O)CC(OC)=O)=O	2965
+c1(C)nc2sc(c(Br)c2c(N)c1)C	1220
+c1(C)nc2c(c(N)c1)c(c(Br)s2)-c3cc(ccc3)OC	1220
+Cc1n(c2cc(OC)ccc2c1C(NC)=O)CC	56
+c1ccccc1C(C)OC(Nc2n(-c3c(cc(Br)cc3)OC)nnc2C)=O	2907
+Cc1c(C(=O)O)n(nn1)-c2ccc(cc2OC)Br	1
+Cc1n2c(nc1C(=O)O)ccc(Cl)n2	1
+Cc1c(C(=O)N)nc2n1nc(cc2)Cl	2232
+Cc1c(C(=O)O)c2n(c(cc(C)c2)OCc3c(F)cccc3Cl)n1	6
+Cc1c(C(C)C(OCC)=O)ccc(n1)N	161
+CC(C)Oc1ccc(S(=O)(=O)N)cc1Nc2scc(-c3c(C)nc(C)n3C)n2	8795
+c1ccc(C)c2cc[nH]c12	4192
+CC1(C)Cc2c(C)cc(C)c(C)c2O1	1658
+O=[N+]([O-])c1c(cc(c(C)c1)C)NCCCN	250
+c1(oc(c(C)c1)C)Cc2ccccc2Br	2233
+Cc1c(C)cc(o1)Cc2cc(ccc2)Br	2233
+c1cc(ccc1Br)Cc2cc(C)c(C)o2	2233
+c1ccccc1-c2cc3c(nc(C)cc3nc2N)C	8796
+Cc1nc(SC)nc(Cl)c1CC(OC)=O	64
+Cc1nc(nc(Cl)c1CCCCCC)N	64
+Cc1c(C=O)c(N)cc(C)n1	200
+Cc1nn(-c2c(cccc2F)-c3nccn3C)cc1C=O	576
+c1cc(ccc1)Cn2cc(C(=O)OCC)c(OCc3cc(OCc4nc(oc4C)-c5ccco5)c(cc3)OC)n2	4594
+Cc1c(COc2cc(ccc2OC)CCl)nc(-c3occc3)o1	109
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4nc(-c5cc(C#N)ccc5)oc4C)cc3)OC)n2	4595
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(cc3)OCc4c(oc(C=CC(OCC)=O)n4)C)OC)n2	4595
+Cc1c(COc2ccc(cc2OC)CCl)nc(-c3cc(ccc3)C#N)o1	109
+Cc1c(COc2ccc(cc2OC)CCl)nc(C=CC(OCC)=O)o1	109
+Cc1c(COc2cnc(cc2)C(=O)O)c(no1)-c3ccc(cn3)F	1
+Cc1c(COc2cnc(cc2)C(=O)O)c(no1)-c3ncccc3	1
+Cc1c(COc2ncc(C(=O)O)cc2)c(no1)-c3ccncn3	1
+Cc1c(COc2nnc(cc2)C(NC)=O)c(no1)-c3cc(F)ccc3	780
+c1(c(C)c(SC)nnc1N)C	1929
+c1cc(ccc1F)-c2cn3nc(c(C)c(C)c3n2)Cl	1749
+CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12	14
+c1cc(ccc1)C2(NC(N(CC(c3c(F)cc(cc3)NC(=O)Nc4c(C)noc4C)=O)C2=O)=O)CCC	8797
+c1cc(C)c(OC)c(Oc2c(F)cccc2)c1	297
+Cc1nc2cccc(c2nc1Cl)Br	1221
+Cc1nc2cccc(Cl)c2nc1Cl	1221
+Cc1c(OC)cc(c(C(C)=O)c1)C	155
+C(=NO)(C)c1c(C)cc(OC)c(C)c1	189
+Cc1cc(-n2c(c(C)c(C)n2)C)ccc1O	5
+Cc1c(C(=O)O)c(-c2cc(C)c(cc2)Br)on1	1
+Cc1nccc(-c2ccc(Cl)cc2F)c1CO	269
+O=S(=O)(NCCCCC)NC(=O)C=Cc1c(C)nn(C)c1-n2ccc3cc(ccc23)Cl	4596
+CC(C)c1ccc(cc1)C2c3c(C)c(c(c(c3OC2=O)C)Br)C	8798
+c1cc(ccc1C#N)Nc2cc(nc(C)c2[N+]([O-])=O)C	179
+c1(cc(cc(C)c1Sc2nc(nc(C)c2[N+]([O-])=O)Cl)Br)C	1124
+O=S(=O)(C)c1nc(c(C(C)CC)c(Cl)n1)C	737
+C(c1cccc(I)c1C(=O)OC)Br	4597
+Cc1c(CO)c(N)cc(C)n1	351
+Cc1c(c(Cl)nc(SC)n1)C(C)CC	64
+Nc1cccc(C)c1Br	0
+N#Cc1c(Cl)cc(cc1)-c2c(n(Cc3cnc(Br)cc3)nc2C)C	8799
+Cc1c(F)c(c(CN)c(O)n1)C	388
+Cc1c(c(Br)c(C)c(O)c1)C	1437
+c1c(c(c(c(C)c1)[N+]([O-])=O)C)OC	450
+Ic1c(O)c(c(nc1C)C)[N+](=O)[O-]	583
+c1c(c(ccc1)Nc2cccc(C)c2C)CO	98
+c1(ccccc1Nc2cccc(C)c2C)CNO	1059
+c1cc(ccc1CO)Sc2c(O)nc(nc2C)N	8800
+c1cc(ccc1OC)-c2c3n(nc2C)c(cc(N4CCCC4CO)n3)-c5cc(ccc5)Cl	3003
+c1cc(ccc1)COc2c(cc(C(=O)C)c(n2)C)C#N	1424
+Cc1nc(Cl)c(cc1C(=O)OCC)C#N	137
+Cc1c(cc(C(=O)O)c(O)n1)C(=O)C	4598
+Cc1c(ccc(O)n1)C(=O)C	1220
+c1c(C)c(N2CCC2=O)cc(N)c1C	0
+n1c(C)ccc(Br)c1O	2005
+Cc1c(cc2CCCCC(O)c2n1)C(=O)OCC	59
+c1cc(ccc1C(N(C)C(=O)CN2c3c(cc(c(C)c3)C)N=CC2=O)CN4CCOCC4)-c5ccccc5	10
+FC(F)(F)S(=O)(=O)Oc1cc2c(nc(SC)nc2)nc1C	4599
+Cc1c(cc2ccc(cc2n1)OCc3cc(Cl)ccc3)C(=O)OCC	139
+Cc1c(cc2ccc(cc2n1)O)C(=O)O	5
+c12ccccc1cc(c(C)c2)CO	41
+c1cc(ccc1-c2ccc(cc2C)C#N)OC	11
+CCCCc1c(C)nc(O)c(c1)[N+](=O)[O-]	475
+c1cc(ccc1)COC(=O)c2cc(ccc2)Oc3ccc(O)c(C)c3	470
+Cc1c(ccc(n1)N)OC(C)=O	161
+c1c(C(=O)OC)ccc(c1C)-c2ccccc2OC	11
+C(OCCOc1ccc(c(C)c1)Br)C	8
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3ccc(c(c3)C)Br	951
+Cc1c(ccc2nc(C(=O)OCC)cn12)Br	1959
+Cc1nc(ccc1CN)N	388
+Cc1ccccc1-c2ccncc2N	13
+Cc1c(-c2c(ccc(N)c2C)SC)cccc1	8801
+c1cc(ccc1-c2nc(c3c(n2)CCN(C(=O)Nc4cc(CC)ccc4)C3)-c5ccccc5C)F	345
+Cc1c(-c2c([N+]([O-])=O)cncn2)cccc1	511
+c1cc(C)c(cc1)C(c2c(C)cccc2)N3C=CC=C(C(=O)OC)C3=O	4600
+C(c1ccc2oc(cc2c1)Cc3cccnc3C)C(=O)O	4
+Cc1c(nc(-c2cc(ccc2)Br)o1)CC(=O)O	459
+Cc1c(nc(-c2cc(ccc2)Br)o1)CCO	21
+c1cc(ccc1F)-c2cccc(c2)-c3oc(C)c(CCO)n3	11
+c1(C=O)cc(c(cc1)OCc2nc(-c3cc(ccc3)C#N)oc2C)OC	547
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CCO	95
+O=S(=O)(OCCc1c(oc(n1)-c2ccc(Cl)nc2)C)c3ccc(cc3)C	36
+c1cc(ccc1)-c2ccc(cn2)-c3nc(CCOc4ccc(c(c4)C)CCC(=O)OC)c(o3)C	8802
+OCc1ccc(C)c(n1)C#N	59
+Cc1c(nnn1-c2cc(Cl)c(F)cc2)C(Nc3ccnc(Cl)c3)=O	4484
+Cc1nc(sc1CO)-c2ccc(Cl)cc2OC	8803
+Cc1c(-c2csc(n2)Nc3cc(ccc3OC)Br)sc(C)n1	8804
+O=S(=O)(C)c1nc(c(C)c(n1)Cl)NCc2c(nc(C)s2)C	737
+c1c[n+](c(c2OCOc12)C)[O-]	103
+O=C1c2c(C(=O)N1C(CC(C)C)COc3cc4N(C(c5c(ccnc5C)-c4cc3)=O)C)cccc2	556
+Cc1c2c(ccnc2n(-c3ncccc3)n1)O	1220
+c1ccccc1CN2C(c3c(onc3C)N=C2CCC)=O	8805
+Cc1c2c(c[nH]c2ncn1)I	1996
+Cc1nn(C(C)c2cc(Cl)c(c(c2OC)-c3cnc(cc3)C#N)C)c4c1c(ncn4)N	2649
+c12c(c(c(c(n1)O)C)C)c(c(CC=C)cc2C)O	423
+Cc1c2c(O)c(cnc2n(-c3ncccc3)n1)C(=O)O	6
+n1cnc2c(c1Cl)cccc2C	64
+c1cc(ccc1S(=O)(=O)n2cc(c3c(ncnc23)C)I)C	276
+Nc1c(nc2c(cccc2C)c1)N	13
+c1cc(ccc1F)N2CCN(CC2)CCCN3C(c4c(cn(C)c4C(CC3)=O)C)=O	53
+Cc1c2c(nc(cc2CO)Br)n(C3CCCCO3)n1	217
+O=S(=O)(OCc1cc(Br)nc2n(nc(C)c12)C3CCCCO3)C	7
+c1cc(ccc1-c2nc3n(nc(c3c(CO)c2)C)C4CCCCO4)OCOC	119
+Cc1c2c3c(ccc2nn1C)CCC3=CC#N	2011
+Cc1c2cc(C(Nc3c(Cl)ccc(c3)C(=O)OC)=O)c(O)nc2nc(OC)n1	246
+Cc1c2cc(C(=O)O)c(O)nc2nc(OC)n1	6
+Cc1c2cc(C(Nc3c(Cl)ccc(C(=O)O)c3)=O)c(O)nc2nc(OC)n1	1
+FC(F)(F)C=1NC(=C(C#N)C(C=1C#N)c2cc3c([nH]nc3C)cc2F)CCC(F)(F)F	4601
+FC(F)(F)C1=C(C#N)C(c2ccc3c(c(C)[nH]n3)c2)C(=C(C(F)F)N1)C#N	4601
+O=S(=O)(C)OCC1CN(c2ccc3c(onc3C)c2)C(O1)=O	7
+Cc1c2ccc(cc2n(-c3ccnc(N)n3)n1)I	8806
+Cc1c2n(nc(-c3cc([N+]([O-])=O)ccc3)nc2-n4ncnc4)c(C)n1	8807
+c1c(OC)c(c(cc1Nc2nc(nn3c(nc(C)c23)C)-c4cc([N+](=O)[O-])ccc4)OC)OC	8808
+Cc1c2nc(C3C(C(Cl)=O)C3)nn2c(C)cn1	130
+c1(n2c(nc1C3C(c4nn5c(cnc(c5n4)C)C)C3)c6c(cc2)nccc6)C	8809
+Cc1c2nc(C3C(C(N(OC)C)=O)C3)nn2c(C)cn1	1080
+Cc1c2nc(C3C(C(=O)O)C3)nn2c(C)cn1	3
+c1cc(ccc1CNCc2c(-c3c(cccc3F)OC)nc4c(cccc4C)c2)OC	249
+Cc1c2nc(nn2c(C)cn1)CCc3ccc(c(n3)N)O	161
+Cc1c2nc(nn2c(C)cn1)CCc3ccc(c(n3)[N+]([O-])=O)O	3004
+c1c(c(c(OC)cc1)COc2ccc(-n3c(c(C)c(C)n3)C)cc2C)N4N=NN(C4=O)C	22
+C(Cl)(=O)c1ccc(C#N)cc1C	82
+NNC(c1ccc(C)cc1C)=O	296
+c1c(C)cc(C)c(O)c1-c2occc2	1752
+FC(F)(F)C=1C=C(N(Cc2c(cc(C)cc2)C)C(=O)C=1C#N)c3cccc(Br)c3	8810
+c1(cc(cc(C)c1C(=O)c2ccccc2C(O)=O)C)C	1943
+FC(F)(F)C(O)c1c(cccc1)-n2c(C)cc(C)n2	568
+c1cc(ccc1Cl)Nc2c3ncn(CC)c3nc(n2)-n4c(cc(n4)C)C	2963
+Cc1cc(cc(c1)C(=O)OC)COC(C)=O	283
+CCOP(OCC)(=O)Cc1c(C)cc(CCl)c(C)c1	1060
+c1(C(=O)O)cc(CO)cc(C)c1	1
+c1(C(O)=O)nn(Cc2cc(C)on2)c3ccccc13	1
+c1(Br)cc(C)cc2[nH]nc(N)c12	575
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OCC)-c4c(C(CC=Cc5cc(ccc5)C)O)c(no4)C	1046
+c12[nH]nc(-c3[nH]c4c(cc(C)c(c4)C)n3)c1cccc2	567
+c1(NC(Nc2cc(ccc2)-c3csc(-c4cncnc4N)n3)=O)cc(C)ccc1	124
+[N+](=O)(c1cc(OC)c(C)cc1OC)[O-]	77
+Cc1c(cc(C)c(c1)SC#N)O	2871
+COc1cc(C)ccc1Cl	297
+C(C(=O)O)COc1cc(C)ccc1F	4602
+OB(O)c1c(C)cc(C)c(OCCC=C)c1	422
+c1(c(C)cc2c[nH]nc2c1)[N+]([O-])=O	1559
+Cc1cc(cc(C)c1)-c2c(C(C)CN)c3c(ccc(C(C)(C)C(=O)OCC)c3)[nH]2	3005
+c1(C)cc(cc(C)c1)C(c2cc(C)cc(C)c2)N3C=CC=C(C3=O)C(OC)=O	4600
+c1c(C)cc(cc1C(c2cc(C)cc(c2)C)O)C	257
+c1cc(ccc1C(C(=O)O)=Cc2cc(C)cc(C)c2)O	3006
+c1cc(ccc1S(=O)(=O)N)N=Cc2cc(C)cc(c2)C	457
+c1(cc(cc(C)c1S(=O)(=O)Cl)NC(=O)C)C	240
+c1ccccc1Nc2cc(C)cc(C)c2	8811
+Cc1cc(cc(C)c1)Nc2c(C(N)=O)c(SC)nc(SCC)n2	2529
+Cc1cc(cc(C)c1)Nc2nc(SCC)nc(c2C(=O)N)S(=O)C	1056
+Cc1cc(cc(C)c1)Nc2cc(Cl)nnc2C(N)=O	314
+c1c(C)cc(cc1OCC(=O)C)C	86
+c1c(C)c(c(cc1OCC2COC(C)(C)O2)C)-c3c(C)c(ccc3)C=O	760
+Cc1cc(cc(C)c1-c2c(nn3c(cc(C)nc23)NCCN)C)Cl	1005
+Cc1cc(cc(C)c1-c2c(C)nn3c(cc(nc23)C)Cl)Cl	1591
+c1c(C)c(c(cc1OCc2ncco2)C)-c3c4CCC(c4c(cc3)F)Oc5ccc6c(c5)OCC6CC(OC)=O	4151
+Cc1cc(cc(C)c1-c2cccn3c2cc4nc(C)nc(c34)Cl)C	1268
+c1(cc(cc(C)c1-c2cccc(CNc3ccc(c(c3)F)CCC(O)=O)c2)OCCOCC)C	3
+Cc1cc(cc(C)c1-c2cc(CO)ccc2)OCC3(CCSCC3)O	41
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(c3ccc(cc3)C(=O)O)C(C)C	1
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(c3ccc(cc3)C(NCC(C(=O)O)O)=O)C(C)C	4
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(c3ccc(cc3)C(=O)NCC(O)C(OC)=O)C(C)C	14
+Cc1cc(cc(C)c1-c2c(C)c(ccc2)C(=O)N(C)OC)OCC3COC(C)(C)O3	280
+Cc1cc(cc(C)c1-c2cccn3c4c(nc(C)nc4NCCN)cc23)C	8812
+c1cnccc1C(Nc2scc(-c3c(C)cc(cc3C)O)n2)=O	900
+Cc1cc(cc(C)c1-n2c3nc(C)nc(c3c(c2)C)O)C	8813
+Cc1cc(cc(C)c1-n2c(nc3c(NCCCl)cc(C)nc23)C)C	15
+c1c(C)c(c(cc1C)C)-n2c3nc(C)nc(Cl)c3c(C)c2	1032
+c1c(C)c(c(cc1NC(=O)C)C)-c2csc(N)n2	2579
+c1c(C)c(c(cc1Cl)C)-c2csc(N)n2	354
+Cc1cc(cc(C)c1-c2csc(N)n2)O	354
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)(C(=O)N)N)NC	527
+C1CN(CCC1(N)C#N)S(=O)(=O)C=Cc2c(C)cc(cc2C)N3C(NC(=O)C3(C)C)=O	661
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)(N)C#N)NC	661
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)=O)N3C(NC(=O)C3(C)C)=O	97
+c1c(C)c(c(cc1OCc2ccccc2)C)CO	41
+c1c(C)c(c(cc1Br)C)CC(=O)C=Cc2ncccc2	8814
+c1(C)cc(cc(C)c1CC(=O)N(C)OC)Br	164
+Cc1cc(cc(C)c1Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)NC(C(=O)O)=O	1581
+c1c(C)c(c(cc1CO)C)Cc2ccc(c(c2)C(C)C)OCOC	98
+FC(F)(F)c1[nH]c2c(Br)cccc2c1CCCOc3cc(C)c(c(C)c3)Cl	20
+Cc1cc(cc(C)c1Cl)OCCCc2c3c(c(ccc3)Br)[nH]c2	20
+Cc1cc(cc(C)c1Cl)OCCCc2c(C(OCC)=O)[nH]c3c(cccc23)-c4ccco4	8815
+Cc1cc(cc(C)c1Cl)OCCCc2c3cccc(-c4ccco4)c3[nH]c2C(=O)O	6
+Cc1cc(cc(C)c1Cl)OCCCc2c([nH]c3c2cccc3-c4ccco4)C(NS(=O)(=O)c5ccccc5)=O	3007
+c1cc(ccc1)OCc2nn(c(C)c2-c3c4c(c(CCCOc5cc(C)c(c(C)c5)Cl)c[nH]4)ccc3)C	20
+c1ccccc1COc2cc(Oc3c(C)cc(cc3C)[N+]([O-])=O)ccc2OC	415
+O=S(=O)(NC(=O)c1cc2ccc(C#N)cc2n1Cc3c(C)cc(cc3C)C)c4cccc([N+](=O)[O-])c4	3007
+Cc1cc(cc(C)c1F)C(NCCc2ccc(cc2)C(C)C)=O	93
+CC(C)c1cc2c(CCN=C2c3cc(C)c(c(c3)C)F)cc1	1753
+Cc1cc(cc(C)c1NC(=O)c2sccc2NS(=O)(=O)c3ccccc3)C	864
+c1c(C)c(c(cc1C(=O)O)C)NC(c2cc(N3CCC(CC3)O)nc4ccccc24)=O	1
+Cc1cc(cc(C)c1Nc2nc3cc(cc(c3s2)[N+](=O)[O-])C(=O)O)C	1
+Cc1cc(cc(C)c1Nc2nc3cc(cc([N+]([O-])=O)c3s2)CCl)C	2164
+c1(cc(cc(C)c1Nc2sc3c(cc(cc3[N+](=O)[O-])C)n2)C)C	8816
+Cc1cc(cc(C)c1Nc2nc3cc(cc([N+](=O)[O-])c3s2)CO)C	49
+c1c(C)c(c(cc1-c2oc3c(n2)cnc(Oc4c(cccc4)F)n3)C)O	893
+c1c(C)c(c(cc1C)C)Oc2nc(cc(c2C)Cl)C	136
+c1cc(ccc1)Cn2c3c(nc(N)nc3Oc4c(cc(cc4C)C)C)cc2	1438
+Cc1cc(cc(C)c1O)CN	107
+c1(C)cc(cc(C)c1Oc2nc(Cl)nc3c2n(cc3)C)C#N	1438
+c1cc(ccc1)Cn2c3c(nc(N)nc3Oc4c(C)cc(cc4C)C#N)cc2	1438
+Cc1cc(cc(C)c1Oc2c3c(nc(Cl)n2)cc[nH]3)C4CC4	1438
+c1c(C)c(c(cc1CC(O)=O)C)O	459
+CC1(C)C2Cc3c(c(sc3C(NCc4cc(C)c(c(c4)C)OCC(O)CO)=O)C)C12	72
+c1(cc(cc(C)c1OC)C=O)C	39
+Cc1cc(cc(C)c1OCC(=O)NN)-c2ncccc2	8817
+c1(C)cc(cc(C)c1OCC(O)=O)-c2nc(O)c3c(OC)cc(OC)cc3n2	748
+Cc1cc(cc(C)c1OCC(NN)=O)Br	561
+Cc1cc(cc(C)c1OCC(O)=O)C=O	4
+Cc1cc(cc(C)c1OCCO)Br	44
+c1(cc(cc(C)c1OCCCC)CC=O)C	1292
+c1c(C)c(c(cc1-c2ccc(cc2)C(O)=O)C)OCCO	11
+c1cc(ccc1Nc2nc(Oc3c(C)cc(cc3C)Br)c(c(C)n2)[N+](=O)[O-])C#N	55
+Cc1cc(cc(C)c1Oc2c3c(cc[nH]3)nc(Nc4ccc(cc4)C#N)n2)C5CC5	744
+Cc1cc(cc(C)c1Oc2ccc(OC)c(Oc3ccccc3)c2)[N+]([O-])=O	472
+c1c(C)c(c(cc1CO)C)Oc2nc(cc(NC(CC)CC)c2C)C	41
+c1(C)cc(cc(C)c1Oc2nnc(Cl)c(C(C)C)c2)CC(=O)O	4
+O=S(=O)(c1c(C)cc(cc1C)C)NC(C)Cc2c[nH]c3ccccc23	71
+c1cc(ccc1COC2CCCCO2)Cc3c(C)nc(nc3OS(=O)(=O)c4c(cc(cc4C)C)C)N	4603
+Cc1cc(cc(C)c1S(=O)(=O)N)Nc2nc(c(Br)cn2)NC(CO)C	55
+Cc1cc(cc(C)c1S(=O)(=O)N2C(COS(=O)(=O)C)CCCC2)OC	7
+Cc1cc(cc(C)c1[N+](=O)[O-])CO	49
+FC(F)(F)C(c1cc(C)c(c(c1)C)[N+](=O)[O-])O	714
+Cc1cc(cc(C)c1[N+](=O)[O-])C=O	39
+c1(C)cc(cc(C)n1)C=O	39
+Cc1cc(CO)cc(c1)C(=O)OC	59
+c1(Oc2cnc(cc2)[N+]([O-])=O)cc(C)cc(NC(c3cc(nn3C)C)=O)c1	706
+c1(cc(C)c(F)c(c1)C(=O)O)-c2cc(F)ccc2	11
+c1(ccc(cc1OCCc2cc(C)ccc2)C(=O)OC)Br	126
+c1(Cc2[nH]nc(NC=C3c4ccccc4NC3=O)c2)cc(ccc1)C	4604
+n1cnc(Nc2cccc(C)c2)cc1Nc3cccc(c3)O	73
+c1c(cc(cc1)Oc2cc(C)ccc2)C=O	304
+Cc1cc(ccc1)OCC(C)N	733
+C(c1cc(C)c(-c2scc(C)n2)cc1)(=O)O	1
+FC(F)(F)S(=O)(=O)Oc1ccc(C(=O)C)c(c1)C	166
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(C)c(CC(=O)OC)cc3)C)c(C(C)C)n2	20
+C1CC(CCC1)N(C(=O)Nc2c(cc(cc2)C(=O)OC)C)c3c4ccccc4nn3-c5ccccc5	1587
+c1c(c(C)cc(c1)OC)-n2c(nc3ccccc23)-c4c(Cl)cccc4	8818
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	331
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(N)=O)n(C)n4	1612
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(O)=O)n(C)n4	6
+c1cc(ccc1OC)Cn2cc(nn2)-c3ccnc(c3)Nc4nc(Br)cc(C)c4	834
+c1c2c(c(F)cc1)CC(C)N2	8819
+c1cc(ccc1Cl)Sc2c3c([nH]c2C)cccc3[N+](=O)[O-]	8820
+c1ccccc1COc2ccc(cc2)-n3c4ccc(F)cc4cc3C	2787
+FC(F)(F)c1oc(CN2c3c(cc(C)cc3)C4(C2=O)COc5cc6c(cc45)OCO6)cc1	8821
+FC(F)(F)C(=O)c1c[nH]c2c1ccc(C)c2	531
+c1(OCC2CO2)c3cc(C)[nH]c3ccc1	3507
+c1ccccc1Cn2c3c(c(ccc3)OC)cc2C	190
+c1(c(ccc(C)c1)-c2cnn(C)c2)C(=O)O	1
+Cc1ccc(c2c1nc[nH]2)C	631
+n1c(N)cc2CCCCn12	899
+c1cc(ccc1F)-n2nc(N)cc2I	899
+c1cc(ccc1)-n2c(cc(N)n2)I	899
+CONCc1ccc(C)c(c1)F	1059
+Cc1cc(Br)c(F)c(C(=O)O)c1	634
+Nc1ccc(C)cc1C#N	0
+Cc1ccc(c(C(=O)N)c1)[N+]([O-])=O	169
+C(c1cc(c(cc1)[N+]([O-])=O)F)(=O)O	820
+O=S(=O)(c1c(ccc(C)c1)[N+]([O-])=O)O	8822
+Cc1ccc(N)cc1-c2ccc(C(=O)CC)cc2C	0
+Cc1ccc([N+]([O-])=O)c(C#N)c1	274
+Nc1c(C(=O)N)cc(C)cc1	0
+Clc1cc(C)c(I)cc1C(=O)O	235
+C(c1ccc(c(Cl)c1)[N+]([O-])=O)(=O)O	820
+c1(c(ccc(c1I)C)C#N)F	1202
+c1(c(c2[nH]cnc2c(C)c1)C)[N+]([O-])=O	8823
+N(O)C(c1cc(c(C)cc1)F)=N	181
+c1(c2[nH]c3CCN(Cc3c2ccc1)C)C=Cc4ccc(C)nc4	8824
+c12ccc(C)c([N+]([O-])=O)c1ccnc2Cl	174
+Cc1ccc2c(ccc(NC(C)=O)n2)c1	4605
+c1cc2c(ccc(C)c2[N+]([O-])=O)nc1Cl	1804
+Nc1c(C)ccc2nc(C)ccc12	0
+C(C)(c1c(c(C)ccc1)I)O	74
+O=C(N)c1cccc(C)c1Br	169
+c1c(CO)c(c(C)cc1)I	49
+c1c(C)c(c(cc1)C)-c2c(c(ccc2)CO)C	98
+c1c(C)c(c(cc1)C)-c2ccc(F)c(CO)n2	453
+Cc1cccc(C)c1-c2nc3c(c(OC)n2)CNCC3	25
+Cc1cccc(C)c1-c2nc3n(cc(CO)cc3)n2	88
+Cc1cccc(C)c1-c2nc3ccc(COC)cn3n2	382
+Cc1cccc(C)c1-c2nn3c(ccc(CCl)c3)n2	447
+c1cc(ccc1OCc2cn3c(cc2)nc(n3)-c4c(C)cccc4C)C(CC(=O)OCC)C#CC	751
+c1(cccc(C)c1CCCO)C	213
+Cc1cccc(C)c1C(CO)CN	51
+Cc1cccc(C)c1COc2c(c(ccc2)CO)C	217
+Cc1cccc(C)c1COc2c(ccc(CC(=O)O)c2)C	3
+Cc1cccc(C)c1COc2c(C)c(ccc2)Cc3nnn[nH]3	420
+Cc1cccc(C)c1COc2cccc(CC#N)c2C	163
+c1(cccc(C)c1N2C(c3ccc(cc3)I)=NCC2)C	8825
+Cc1cccc(C)c1NS(=O)(=O)c2ccc(cc2)C	69
+c1cc(ccc1)C(=O)N(c2c(cccc2C)C)CC(C)Cl	8826
+c1(C)cccc(C)c1N(CC(C)OS(=O)(=O)C)S(=O)(=O)C	7
+C1CN(CCN1)CCC(=O)Nc2c(C)cccc2C	62
+Cc1cccc(C)c1N(CC(C)O)C(c2ccccc2)=O	448
+c1(cc(cc(C)c1NS(=O)(=O)c2ccc(cc2)C)[N+]([O-])=O)C	77
+Cc1ccccc1-c2c(C(=O)O)ccc([N+]([O-])=O)c2	1
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(no3)-c4cc(F)c(C(OC)=O)cc4	529
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(-c4cc(CO)ccc4)no3	529
+Cc1ccccc1-c2c(COC)cc(C(=O)O)cc2	1
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(no3)-c4cc(F)c(cc4)C(=O)O	1
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(no3)-c4cc(c(C(N(CC(=O)OC)C)=O)cc4)F	4171
+Cc1ccccc1-c2c(Cl)cccc2O	5
+Cc1ccccc1-c2c(O)c(CC=C)ccc2Cl	423
+O(C)c1cc(F)c(cc1I)-c2c(C)cccc2	184
+Cc1ccccc1-c2c(ccc(C=CC)c2O)Cl	4606
+Cc1ccccc1-c2c(ccc(N)c2)C(=O)NC(CCSC)C(=O)OC	0
+Cc1ccccc1-c2c(ccc3c2OC(CN)C3)F	18
+c1cc(ccc1S(=O)(=O)OCC2Oc3c(-c4c(cccc4)C)c(F)ccc3C2)C	36
+ClC(Cl)(Cl)C(c1ccc2CN(C(=O)c3ccc(cc3OC)-c4ccccc4C)c5c(Cn12)cccc5)=O	1053
+ClC(Cl)(Cl)C(c1ccc2n1Cc3c(cccc3)N(C(=O)c4cccc(-c5c(cccc5)C)c4)C2)=O	1053
+c1ccccc1COc2ccc(cc2CC=C)-c3ccccc3C	22
+Cc1ccccc1-c2ccnc(c2)C(NO)=N	958
+Cc1ccccc1-c2cc(C=3NOC(=O)N=3)ncc2	1988
+Cc1ccccc1-c2nc(C)sc2C(O)=O	6
+Cc1ccccc1-c2nc(C)sc2NC(c3c4nc(N)ccn4nc3)=O	8827
+c1(C)nc(cc(C)c1)Cl	4466
+c1cc(ccc1Br)Cc2cc(C)c(s2)C	8828
+Cc1n[nH]c2-c3c(ccc(Cl)c3)N(CC(CNC)O)C(c12)=O	747
+Cc1n(C2CCCCO2)nc-3c1C(=O)N(CC(CNC)O)c4ccc(Cl)cc-34	122
+Cc1n(C2CCCCO2)nc-3c1C(N(c4ccc(C#CC=O)cc-34)CC)=O	2628
+Cc1n(C2CCCCO2)nc-3c1C(N(c4ccc(-c5ccc(C=O)s5)cc-34)CC)=O	1373
+Cc1n(c(C)nc1I)-c2ccnc(O)c2	8829
+Cc1n(c(nc1C#Cc2cccc(Cl)c2)C)-c3ccnc(O)c3	4607
+Cc1n(c(nc1C#Cc2cccc(C)c2)C)-c3ccnc(O)c3	4607
+Cc1n(c2c(ccc(c2)O)c1C(NC)=O)CC	5
+Cc1n(C2CCCCO2)nc-3c1C(=O)N(c4ccc(Cl)cc-34)CC5CO5	8830
+Cc1n(nc2c1c(O)nc3ccc(Cl)cc23)C4CCCCO4	2614
+c1cc(ccc1F)COC2=CC(N(c3ccc4c(c(C)n(C)n4)c3)C=C2)=O	8831
+c1cc(ccc1)COC2=CC(N(c3ccc4c(c(C)n(C)n4)c3)C=C2)=O	1614
+Cc1n2c(nc1CO)ccc(Cl)n2	2068
+Cc1c(C=O)nc2n1nc(cc2)Cl	614
+c12c(cc(NC(=O)c3[nH]nc(C)c3C)cn1)cc(I)[nH]2	510
+Cc1c(OC)ccc(-n2c(c(C)c(C)n2)C)c1	1158
+Cc1n(nc2c1c(O)nc3ccc(Cl)cc23)C4OC=CCC4	8832
+Cc1n(nc2c1c(O)nc3ccc(I)cc23)C4CCCCO4	8833
+Cc1c2ccc(cc2n(-c3ccnc(N)n3)n1)Br	2973
+O=S(=O)(C)c1cc2c(C)cn(NC(c3cnc(nc3C)-c4cccc(F)c4)=O)c2cc1	4608
+Cc1nc(-c2cc(F)ccc2)ncc1C(Nn3c4c(cc([N+]([O-])=O)cc4)cc3)=O	4608
+Cc1nc(-c2cc(F)ccc2)ncc1C(=O)O	6
+c1cc(ccc1)C(=O)Nc2ccc3c(c2)ccn3NC(=O)c4c(nc(-c5cccc(F)c5)nc4)C	50
+Cc1nc(-c2cc(F)ccc2)ncc1C(Nn3c4c(cc(N)cc4)cc3)=O	0
+Cc1nc(-c2ccc(C)cc2F)sc1CO	1503
+Cc1nc(-c2ccc(C)cc2F)sc1CCl	8834
+Cc1nc(-n2nnnc2)ccc1C(C)C(=O)O	3
+Cc1nc(nc(c1C)Cl)CCCC	64
+Cc1nc(nc(Cl)c1CC)CCCC	64
+c1cc(ccc1S(=O)(=O)N(C)Cc2c(Cl)c(C(=O)N3CC(C(NCc4onc(C)n4)=O)Oc5ccccc35)sc2)Cl	4609
+Cc1nc(Cl)c(c(NC(C)CO)c1C)[N+]([O-])=O	105
+Cc1nc(Cl)c(c(NCCOCCCc2nccs2)c1C)[N+]([O-])=O	105
+c1ccccc1CN2CCC(CC2)CCNc3c(c(C)nc(c3[N+]([O-])=O)Cl)C	105
+c1cc(ccc1)Oc2c(c(c(c(n2)C)C)NCCCCCO)[N+]([O-])=O	136
+n12nnnc1c(c(NCCCO)c(c2C)C)[N+]([O-])=O	8835
+c1cc(ccc1)Oc2c([N+]([O-])=O)c(NCCOCCCc3cnccc3)c(C)c(n2)C	136
+c1cc(ccc1)Oc2c([N+]([O-])=O)c(NCCOCCCc3sccn3)c(C)c(n2)C	136
+Cc1nc(Cl)c(c(c1Cl)C)C(NO)=N	4610
+Cc1nc(Cl)c(-c2noc(-c3cc(OC)c(O)c([N+]([O-])=O)c3)n2)c(c1Cl)C	8836
+Cc1nc(c(cc1C(=O)OCC)C#N)NC2CCC(C(=O)O)C2	70
+C1CC(CCN1c2c(C#N)cc(C(=O)OCC)c(n2)C)S(=O)(=O)NS(=O)(=O)Cc3ccccc3	43
+c1cc(ccc1)Cc2[nH]c(nn2)C3CCN(CC3)c4c(C#N)cc(C(=O)OCC)c(C)n4	43
+FC(F)(F)c1ccc(cc1)CNc2nc(C)c(c(N)n2)[N+]([O-])=O	96
+c1(nc(N)nc(C)n1)-c2cccnc2F	2234
+n1cc(OC)cc(-c2nc(N)nc(C)n2)c1F	2234
+n1cc(cc(-c2nc(N)nc(C)n2)c1F)OCCOC	2234
+Cc1nc(N)nc(NCCCCC)c1CCCNCc2cc(ccc2)OCC(OC)=O	42
+C(Nc1c(c(nc(N)n1)C)CCCNCc2cc(CC(OC)=O)ccc2)CCCC	42
+c1cc(ccc1CC(=O)O)CC(=O)NCCCc2c(nc(N)nc2C)NCCCCC	9
+O=S(=O)(C)OCCCOc1ccc(Cc2c(C)nc(nc2NC(CCC)CCOC(=O)C)N)c(OC)c1	7
+O=S(=O)(c1cc(c(F)cc1)F)Nc2ccc(N3CCC(C3)N4CCCC4C)nc2C	322
+Cc1nc(N2CCC(N3C(C)CCC3)C2)ccc1N	13
+Cc1nc(c(C(=O)N)cc1-c2csc(n2)C)O	1869
+Cc1nc(O)c(C#N)cc1-c2csc(n2)C	8837
+C1C(CC1O)COc2ccc(c(C)n2)Br	8838
+O(c1c(cc(CC)c(C)n1)C=O)C	200
+Cc1nc(OC)ccc1N=C=S	4611
+Cc1nc(OC)ccc1Nc2nc3c(Cl)ccc(C(=O)OC)c3n2CCCO	8839
+c1(C)nc(OC)ccc1N2CCCn3c4c(c(Cl)ccc4C(=O)OC)nc23	2394
+Cc1nc(OC)ccc1N	13
+Cc1nc(OC)c(CO)cc1CC	295
+c1cc(ccc1)CS(=O)(=O)NC(C2CC(CC2)Nc3c(cc(C(=O)OCC)c(n3)C)C#N)=O	344
+O(c1c(C(=O)O)cc(F)c(C)n1)C	1
+c1cc2c(cc1)c(c(nc2Cl)C)[N+]([O-])=O	137
+Cc1nc(c2ccc(OC)cc2c1Br)Cl	137
+c1cnc(Cl)cc1-n2cc(nc2C)C#Cc3cccc(C)c3	8840
+Cc1nc(cc2c3ccc(O)cc3[nH]c12)O	5
+Cc1nc(ccc1C(Nc2ccc(Cl)c(-c3ncccc3)c2)=O)Cl	246
+Cc1nc(-n2nccc2)ccc1C(Nc3ccc(Cl)c(-c4ncccc4)c3)=O	1706
+Cc1nc(Oc2cccc(c2)CC(OC)=O)ccc1C=O	136
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)Nc2ccc(c(C)n2)COCC)Cl	2165
+Nc1c(cc(Cl)c(C)n1)[N+](=O)[O-]	475
+c1c(C)c(c(cc1)C)-c2ccc(F)c(n2)C	119
+c1(cccc(F)c1-c2ccc([N+](=O)[O-])c(C)n2)F	119
+Cc1nc(ccc1[N+]([O-])=O)CO	453
+O=S(=O)(OCc1nc(C)c(cc1)[N+]([O-])=O)C	7
+Cc1nc(N2CC(NCC2)C)ccc1[N+]([O-])=O	43
+c1(C)nc(nc(C)c1)-c2ccc(cc2)Cl	345
+C1CN(CCC12CCCN(Cc3c(cccc3)-n4nccn4)C2=O)c5nc(C)cc(C)n5	117
+Cc1nc(nc(C)c1)NCCCCCNCCC#N	1287
+Cc1nc(nc(C)c1)NCCCCCN(C(=O)CCCCCCCCCCCCC)CCCN	51
+Cc1nc(nc(C)c1C)Cl	740
+Cc1nc(nc(C)c1OCc2ccccc2)-n3c(ccc3C)C	3916
+c1(ccc(C)n1-c2nc(C)c(c(n2)CCCCCCCCCCOCc3ccccc3)OCc4ccccc4)C	3008
+Cc1nc(nc(N)c1CC)CCCC	266
+Cc1c(c(nc(n1)NCc2ncccc2)Cl)C	8841
+Cc1nc(nc(N)c1C)CCCC	266
+Cc1c(sc(-c2ccc(Cl)cc2OC)n1)C(=O)O	6
+c1cc(ccc1Cn2ccc(-c3sc(C(NCc4cnccc4)=O)c(C)n3)n2)Cl	309
+c1ccccc1C(C)(C)Cn2nc(-c3sc(C(NCc4cnccc4)=O)c(C)n3)cc2	2441
+c1ccccc1Cn2c3C(=O)NC(=O)N(C)c3nc2C	371
+O(C)c1c2c(c(Cl)cc1C(=O)O)[nH]c(C)n2	1
+O=S(=O)(Nc1c2c(c(Br)sc2nc(C)c1C(=O)OCC)C)c3cccc(Cl)c3	69
+Cc1c(C(=O)O)c(c2c(c(Br)sc2n1)-c3cc(ccc3)OC)N	6
+Cc1c(C(=O)O)c(N)c2c(c(sc2n1)C)Br	6
+Cc1nc2c(c(Br)cc(N)c2)[nH]1	0
+c1(c2c(cccc2)ccc1)Cn3c4cc(cc(c4nc3C)[N+]([O-])=O)Br	505
+c1c(cn2c(nc(C)c2C(=O)OCC)c1OCc3c(F)c(ccc3F)F)C	2953
+c1(c2nc(C)c(n2cc(C)c1)C(=O)OCC)OCc3c(c(ccc3F)OC)F	2953
+c12cccnc1NC(C23Cc4c(C3)cc5nc(C=O)ccc5c4)=O	501
+c1c(F)c(F)cc2c1nc(C=Cc3cccc(c3)C=O)cc2	3990
+Cc1nc2ccc(N)c(c2[nH]1)C	0
+FC(F)(F)c1c(cccc1)-c2c(nc3c(c(Cl)ccc3)n2)C	2235
+c1cc(cc(c1)-c2c(C)nc3c(c(Cl)ccc3)n2)F	2235
+Cc1c(nc2c(cccc2Br)n1)F	8842
+Cc1nc2n(nc(-c3cc(Cl)ccc3)c2)c(Cl)c1C(O)C(OC)=O	4612
+c1cc(ccc1CNc2nccn3c2nc(C)c3Br)S(=O)(=O)N	3926
+Cc1nc2nc(SC)ncc2cc1-c3cc(c(cc3Br)F)NC(=O)OC(C)=C	2922
+O(C)c1c(CO)cnc(C)c1Cl	295
+COc1c(Cl)c([n+](cc1C)[O-])C	341
+c1(C)cc(C)c[n+](c1C)[O-]	341
+C(c1cc(C)c(C)nc1)c2c(nc(NCCCCc3c(cc(cn3)Br)C)nc2)O	1898
+Cc1c2c(-c3ccc(Cl)cc3OC2)ccn1	57
+c1(c([n+](ccc1C)[O-])C)CCl	103
+Cc1nccc(C)c1CCl	447
+c1cc(ccc1OC)-n2nc(c3c(cc(nc23)C)C(Nc4c(C)nccc4C)=O)C	487
+c1cc2[nH]c3c(ccnc3C)c2cc1-c4cccc(C#N)c4	11
+O=S(=O)(c1nc(-c2c(-c3ccc(F)cc3F)nc4n2ccnc4C)ccn1)C	528
+Cc1nccn2c(ccc12)C#N	8843
+Cc1nccn2c(ccc12)C(=O)N	2835
+Cc1nccn2c(-c3nc(SC)ncc3)c(nc12)-c4ccc(cc4F)F	4613
+Cc1c(cn(-c2cccnc2)n1)C(=O)O	6
+Cc1nn(C(C)c2cc(Cl)c(c(c2OC)-c3cc(ncc3)C(=O)O)C)c4c1c(ncn4)N	876
+Cc1nn(C(C)c2cc(Cl)c(c(c2OC)-c3cnc(cc3)C(=O)O)C)c4c1c(ncn4)N	876
+FC(F)(F)c1ccc(cc1)-c2c(C)nn(c2-c3ccc4c(c3)NC(CO4)=O)C	800
+FC(F)(F)c1cc(-c2c(-c3cc4NC(COc4cc3)=O)n(nc2C)C)ccc1	800
+Cc1c(CO)cn(n1)-c2c(cccc2F)-c3nccn3C	536
+Cc1nn(C)cc1N2C(Nc3cnc4ccc(cc4c23)Br)=O	8844
+Cc1nn(cc1Nc2c(N)cnc3ccc(cc23)Br)C	13
+c1(cc2n(c(OCc3c(F)c(ccc3F)F)c1)nc(C)c2C(=O)OCC)C	3484
+Cc1nnc(c2ccc(O)cc12)Cl	5
+Cc1nnc(c2ccc(OC)cc12)Cl	218
+c1cc(ccc1C(c2ccc(cc2)F)(Cc3nnnn3C)O)F	8845
+Cc1nnsc1C(=O)c2[nH]c3ccc(Cl)cc3c2CC(=O)O	4
+c1ccccc1Cn2c3ccc(cc3c4c(cc(cc24)-c5c(C)onc5C)C(=O)OC)OC	8846
+Cc1noc(C)c1-c2cc3[nH]cnc3c(I)c2	631
+Cc1noc(C)c1-c2cc(N)c(N)c(I)c2	0
+Cc1noc(C)c1-c2cc(-c3c4cccnc4ccc3C)c5c([nH]cn5)c2	8847
+Cc1noc(C)c1-c2ccc3C(C=C(N(c4ccc(cc4F)F)c3c2)C=O)=O	8848
+Cc1noc(C)c1-c2ccc3C(C=C(CO)N(c4ccc(cc4F)F)c3c2)=O	8849
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccc(-c4cc(c(C)o4)C(OC)=O)cn3)=O)c2	330
+Cc1oc2cc(ccc2c1C(NC)=O)Nc3nc(Cl)ncc3	73
+n1ccc(Oc2cc3oc(C)c(C(NC)=O)c3cc2)nc1Nc4cccc(OC)c4	55
+Cc1oc2cc(Oc3ccnc(n3)Cl)ccc2c1C(NC)=O	185
+Cc1c(COc2nnc(cc2)Cl)c(no1)-c3cc(F)ccc3	485
+Cc1onc(-c2ccc(cn2)F)c1CO	903
+Cc1c(COc2cnc(cc2)C(=O)OC)c(no1)-c3ccc(cn3)F	981
+Cc1onc(-c2ncccc2)c1CO	903
+Cc1c(COc2cnc(cc2)C(=O)OC)c(no1)-c3ncccc3	981
+Cc1onc(-c2cc(F)ccc2)c1CO	903
+Cc1onc(c1CNc2ccc(C(=O)O)cn2)CCCC	1
+c1c(OC)c(c(cc1NC(=O)CN2CCCC(N3c4c(-c5noc(C)c5C3=O)c(ccc4)Cl)C2)OC)OC	1228
+C(Cl)(=O)N1C(C)CCCC1	8850
+Clc1cc(c(c(Cl)c1)Cl)Br	594
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(C)c2F)c1	594
+FC(F)(F)CNc1ncc(Cl)cc1C(=O)OCC	4614
+FC(F)(F)c1cccc(c1)-c2c(C)c(Br)cnc2Cl	1655
+FC(F)(c1ccc(F)c2ccccc12)C(=O)Nc3ccc(Cl)c(CCO)c3F	594
+N#Cc1cc(cnc1Cl)C#N	1655
+C1(C(Nc2c(c(Cl)c(cc2N1)Cl)C#N)=O)=O	594
+Clc1c(c2c(cc1)nc(C)cc2)Cl	8851
+O=S(=O)(Cl)c1cc(C)c(cc1)Cl	929
+O=S(=O)(Cl)c1cc(c(Br)cc1)C#N	929
+O=S(=O)(Cl)c1ccc2nc(ccc2c1)O	929
+Clc1cc(Br)c2c(cccn2)c1	594
+c1(cc(cc(OC)c1Cl)Br)OC	594
+O=S(=O)(c1cc(ccc1)Oc2ccccc2C(C(OC)=O)=COC)Cl	929
+Clc1c(Cl)nc(c(Cl)n1)C(OC)=O	8852
+O=S(=O)(Cl)c1ccccc1OS(=O)(=O)C	929
+O=S1(=O)N=CN(C2CCC2)c3ccc(Cl)cc13	594
+O=S(=O)(Cl)c1cc(C#N)cc(c1)[N+](=O)[O-]	929
+O=S(=O)(c1cc(ccc1)-c2cc(nc(OC)n2)NCCc3ccc(cc3)OC)Cl	929
+c1ccccc1Cc2ccc(cc2)S(=O)(=O)Cl	929
+c1ccccc1CSc2c(c(S(=O)(=O)Cl)cc(C(=S)O)c2)-c3ccccc3	929
+O=S(=O)(c1cnc(cc1)OC)Cl	4553
+Cc1c(nc(-c2cc(ccc2)C#N)o1)CCl	8853
+c1ccccc1-c2nn(c3nnc(-c4ccccc4)c(c23)Cl)CC(O)=O	8854
+c12c(cc(C)c(Cl)c1)OC(C3=C2CCNC3)=O	594
+c1(c(C)c([n+](cc1C)[O-])C)Cl	8855
+c1(C)cc(Br)c(Cl)cc1F	594
+Clc1c(O)ncc(c1)[N+](=O)[O-]	4614
+c1(ccnc(CCl)c1)C(=O)OC	8856
+c1c2c(ccc1OC)c([n+](cc2)[O-])Cl	8857
+c1(cc(cc(C)c1C(C)=O)Cl)C	594
+c1(c(Cl)ccnc1O)-c2nc3c(c(C)cc(c3)Br)[nH]2	8858
+c1cc(ccc1)C(n2c3ccccc3cc2)CCCl	1518
+c1cc(ccc1-c2scc(n2)CSc3c(C#N)c(N4CCCCC4)c(C#N)c(n3)Cl)Cl	1655
+c1cc(ccc1-c2scc(n2)CSc3nc(c(C#N)c(c3C#N)-c4ccccc4)Cl)Cl	1655
+C1CN(CCN1C(=O)OCC)CC(c2ccc(cc2)F)Cl	4562
+c1cc(ccc1F)C(Cl)c2ccc(cc2Cl)Cl	8859
+c1ccccc1-c2cc(C(=O)OCC)c(Cl)[nH]2	8860
+c1cc(ccc1)C(CCCl)O	1518
+c1ccccc1CN2CCc3c(ncnc3C2)Cl	4346
+c1(Cl)sc2c(cnnc2O)n1	8861
+n1c(c2c(C3C(C2)C3)n1-c4nccc(Cl)c4)C(OCC)=O	8862
+c1nc(ncc1C#N)Cl	8863
+c1(cccc(c1)N2c3ccc4c(cccc4)c3NC(CC2=O)=O)C#N	8864
+c1c(c(cc(c1)NC(CC(OC)=O)=O)F)OCc2cccc(F)c2	3486
+O=C(O)CNC(COc1nc(c(Cl)cc1Cl)F)=O	726
+ClC(Cl)(Cl)C(=N)OCc1c(Cl)cc(c(F)c1)Br	1664
+c1ccccc1COC(NC(C(=O)OC)COCC=C)=O	8865
+ClC(Cl)(Cl)C(N1CCN(CC1)c2cc(ccc2OC)S(=O)(=O)Nc3c(c(cc(c3)Cl)Cl)OC)=O	69
+c1cc(ccc1OC)C(c2cc3c(nc(nc3cc2)O)-c4cccc(Cl)c4)=O	3009
+C(C)OC(=O)c1cc(n2CCOCc12)C(=O)O	8866
+FC(F)Cn1c(c([N+]([O-])=O)cn1)Cl	2706
+c1cc(ccc1F)-c2cnc(Cl)o2	2138
+c1(Cl)n(C)ncc1[N+](=O)[O-]	2706
+c1(-c2cc(F)c(cc2)C#N)cnc(Cl)o1	2138
+ClC(Cl)(Cl)C(Nc1c(cc(cc1)Br)C(c2cc(ccc2)Cl)=O)=O	26
+ClC(Cl)(Cl)C(Nc1ccc(cc1C(c2cc(Cl)ccc2)=O)C(c3cnc(cc3)Cl)(O)c4n(cnc4)C)=O	26
+ClC(Cl)(Cl)C(c1c[nH]c(C#N)c1)=O	432
+ClC(Cl)(Cl)C(Nc1cccc(OC)c1C=O)=O	26
+ClC(Cl)(Cl)C(=O)c1cc(C(C)=O)[nH]c1	432
+ClC(Cl)(Cl)C(c1ccc2n1Cc3c(N(C2)S(=O)(=O)c4ccc(cc4)Br)cccc3)=O	1053
+ClC(Cl)(Cl)C(c1ccc2CN(C(c3ccc(cc3)C4CCCCC4)=O)c5ccccc5Cn12)=O	1053
+ClC(Cl)(Cl)C(=O)Nc1ccc(C(c2ccc(cc2)OC)=O)cc1C(=O)c3cccc(Cl)c3	26
+ClC(Cl)(Cl)C(c1ccc2CN(c3ccccc3Cn12)C(c4ccc(cc4)C=5CCCCC=5C)=O)=O	1053
+ClC(Cl)(Cl)C(c1[nH]ccc1)=O	1053
+ClC(Cl)(Cl)c1onc(Cc2ccccc2)n1	2750
+c1cc(ccc1)COCC2CC(=O)C2(Cl)Cl	2747
+ClC(Cl)(Cl)C(c1n(ccc1)-c2cc(ccc2)C(OC)=O)=O	1053
+C1CNCCN1c2c(OC)ccc(S(=O)(=O)Nc3c(c(cc(c3)Cl)Cl)OC)c2	8867
+ClC(Cl)(Cl)C(NC(Nc1c(ccs1)C(OC)=O)=O)=O	8868
+c1cc(ccc1COC(N2C(C(=O)N3CCN(CC3)CCOC(=O)N)CC(C2)SCc4ccc(cc4)OC)=O)[N+](=O)[O-]	4615
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CCCOC(=O)N)CC3	4615
+CC(C)(NS(=O)(=O)C)Cn1c2c(nc1COCC)c([n+](c3ccc(OCc4ccccc4)cc23)[O-])N	2885
+c1ccccc1COc2ccc3[n+]([O-])c(N)c4c(n(C)c(n4)CC)c3c2	2885
+C(N)(=O)Nc1sc(Br)cc1C(=O)OC	8869
+Clc1cccc(c1)-c2c3c(ccc(c3)Br)nc(n2)O	3009
+Clc1cccc(-c2nc(nc3c2cc(C(c4n(cnc4)C)(c5cnc(Cl)cc5)O)cc3)O)c1	3009
+N(C(C=NO)=O)c1c(Cl)cc(cc1)F	1048
+N(C(=O)C=NO)c1ccc2CCCc2c1	1048
+c1c(Cl)c(ccc1NC(C=NO)=O)C(=O)O	1048
+N(C(C=NO)=O)c1cccc(Cl)c1C	1048
+c1(cc(NC(C=NO)=O)ccc1)Br	1048
+c1c(cc(c(NC(C=NO)=O)c1)CC)Br	1048
+c1cc(ccc1F)NC(C=NO)=O	1048
+c1cc(ccc1Br)COCC(C(=O)OC)C	1476
+ClC(Cl)(Cl)C(c1cc(c[nH]1)I)=O	4616
+c1cc(ccc1Br)S(=O)(=O)N2c3ccccc3Cn4c(C2)ccc4C(=O)NCc5cnccc5	4617
+Cc1ccccc1-c2cc(ccc2)C(=O)N3Cc4ccc(C(NCc5cnccc5)=O)n4Cc6c3cccc6	4617
+c1cc(ccc1)COC(=O)c2n(-c3cc(C(OC)=O)ccc3)ccc2	4544
+ClC(Cl)(Cl)COC(=O)N1C2Cc3ccc(cc3C4(CC1)CCCCC24)C(=O)C	1142
+ClC(Cl)(Cl)COC(=O)Nc1cnn(-c2ccc(cc2)C)c1	8870
+ClC(Cl)(Cl)COC(=O)Nc1ccc(cc1)C(N(C)C)=O	90
+C12CCCCC13CCNC2Cc4ccc(C(=O)C)cc34	4618
+ClC(Cl)(Cl)COC(=O)Nc1cc(C(C)(C)C#N)nn1-c2cccc(c2)OCCO	168
+CN(C)C(=O)c1ccc(cc1)NC(=O)Nc2ccc(Br)c(F)c2	8871
+C1CN(CCN1c2ncnc(-c3ccc(cc3)F)c2)C(Nc4cnccc4)=O	2076
+C1CNCCC1=C2c3c(CCc4cc(ccc24)C#N)cccn3	4618
+O(CCCl)Cn1c2ncccc2nc1	1883
+c1(OC)cc(F)cc(c1)CCl	1331
+c1c(c(c(cc1)OC)F)CCl	1331
+c1cc(ccc1)COc2c3ccccc3cc(c2)CCl	1331
+c1cc(ccc1Cl)C(=CC2C(C)(C)C2C(=O)Cl)Br	8872
+c1cc(ccc1)-c2ccc(C)c(CCl)c2	1331
+FC(F)(F)Oc1ccc(cc1S(=O)(=O)C)N=C=O	1044
+C(=O)=Nc1c2OCCCc2c(Cl)cc1F	1044
+N1C(=O)OC(c2cccc(F)c12)=O	2081
+c1([N+]([O-])=O)ccc(N=C=O)c(C)c1	1044
+c1cc(ccc1)CN2CCN(CC2)c3ccc4c(C(OC(=O)N4)=O)c3	2081
+c1cc(ccc1F)COc2cc(c(N=C=O)cc2)F	1044
+c1cccc(c1OCC(OCC)=O)Oc2c(Cl)cc(F)c(N=C=O)c2	1044
+ClCCN(CCCl)c1ccc(cc1)N=C=O	861
+c1cc(c(cc1C2CN(C(=O)Cl)CC2C(C)Oc3ncc(cc3)Cl)Cl)Cl	8873
+FC(F)(F)C=1N(C(N(c2c(N=C=O)c(c(Cl)cc2F)C)C(C=1)=O)=O)C	861
+FC(F)(F)Oc1c(F)cc(cc1)C(NC(=O)c2nc3NC(Oc3cc2)=O)c4ncccc4F	8874
+FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(C)c(N3C(c4c(nc(SC)nc4)NC3=O)=O)c2	8875
+FC(F)(F)c1ccc(-c2c3c(ncn2)N(c4ccc(cc4)OC)C(N3)=O)c(F)c1	4619
+FC(F)(F)c1cc2NC(N(c3cc(CC)c(cc3OC)OC)c2cc1)=O	8876
+FC(F)(F)c1nc(NC(Nc2c3cc(ccc3ncc2)Br)=O)ccc1	8877
+c1cc(ccc1C(OC)=O)CNC(N2C(C)CN(c3ccc(c(Cl)c3)C#N)C(C)C2)=O	8878
+C1CN(CCO1)c2c3ccn(CCN(C)C)c3nc(n2)-c4ccc(cc4)NC(=O)NC	675
+N1c2c(C(=O)O)c(F)ccc2OC1=O	8879
+N1c2cc(ccc2C(N(C1=O)c3c(c(Br)ccc3)C)=O)F	1061
+N1c2cc(OC)ccc2C(N(C1=O)c3c(c(Br)ccc3)C)=O	1061
+c1(ccc(cc1Cl)C(=O)OC)N=C=O	861
+c1cc(OC)cc2c1NC(=O)OC2=O	1754
+c1(c(Br)cccc1N=C=O)C	861
+N1C(=O)N(Cc2c1cccc2Br)C	8880
+c1c2c(C(=O)OC(N2)=O)c(Cl)cc1	1754
+c1(ncccc1)C2(N3C(Nc4cccc(OC2)c34)=O)C(=O)N	8881
+COc1c(c(c(c2C(=O)OC(Nc12)=O)C)I)F	1754
+O=S(=O)(C)c1ccc2C(OC(=O)Nc2c1)=O	8882
+c1c(c(F)c(F)c(N=C=O)c1I)C	861
+c1(F)cc(cc(F)c1F)NC(Nc2cccc(Nc3ccc4CC(Nc4c3)=O)c2)=O	8883
+c12c(cccc1Br)C(=O)N(CC)C(=O)N2	8884
+Fc1ccc(NC(Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(OC)c4)OC)=O)c(C)c1	1680
+O=C1Nc2c(c(OC)cc(OC)c2)C(=O)O1	1754
+O=C1c2c(c(ccc2)Cl)NC(N1c3c(C)c(ccc3)Br)=O	1061
+c1c(F)c2c(cc1F)C(N(C(=O)N2)c3c(c(Br)ccc3)C)=O	1061
+O=C1c2c(c(F)ccc2)NC(N1c3c(C)c(ccc3)Br)=O	1061
+O=C1N(C(Nc2c(cccc12)C)=O)c3c(C)c(ccc3)Br	1061
+c1c(cc(c(c1)N=C=O)Cl)Br	861
+c1cc2c(cc1I)C(=O)OC(N2)=O	1754
+c1c2c(nc(Cl)c1)N(c3cc(c(OC)cc3Cl)OCc4c(F)c(ccc4OC)F)C(=O)N2	8885
+c1c(I)cc2N(C(=O)OC(=O)c2c1)CC	8886
+c1ccccc1-c2c(N=C=O)cc(Br)cc2	861
+c1cc(ccc1)C#Cc2ncc(N3C(=O)OC(C)(C)CC3)nc2	8887
+c1ccccc1CN(Cc2ccccc2)c3c4c(ncn3)N(C(=O)N4)c5cccc(NC(OC(C)(C)C)=O)c5	4619
+c1cc(ccc1C2=C(C=3N(C(NN=3)=O)C=C2)Cl)C	8888
+c1cc(ccc1F)NC(Nc2ccc(cc2)-c3nc(c4c(n(CC)nn4)n3)N5CCOCC5C)=O	1680
+C1CN(CCO1)c2nc(nc3n(CC(OC)OC)ccc23)-c4ccc(cc4)NC(=O)Nc5ccncc5	1680
+c1cc(ccc1CC(OCC)=O)N2C(c3c(cccc3)NC2=O)=O	1061
+c1cc(ccc1Oc2cc3c(COC3)cc2)N4C(=O)NC(C)C4=O	8889
+O=C1c2c(cccc2)NC(N1c3c(C)c(ccc3)Br)=O	1061
+c1ccccc1CCCOC(Cl)=O	8890
+c1cc(ccc1)CON2C3CN(C(C(OCC)=O)CC3)C2=O	8891
+c1ccccc1CSc2nc(Cl)c3NC(=O)Nc3n2	8892
+n1cc(cnc1Oc2ccc(c3c2C4(CC4)CO3)C)N5C(C(NC5=O)CC)=O	4620
+CC1(C)COc2cccc(Oc3ncc(cn3)N4C(C(C)(C)NC4=O)=O)c12	4620
+ClC(Cl)(Sc1cn(CCl)c2c1cccc2)F	8893
+FC(F)(F)CCC(C#N)(C#N)Cn1c2ccccc2c(SC(Cl)(Cl)F)c1	8894
+ClC(Cl)=C(Cl)c1cc(CN=[N+]=[N-])cc(C)c1	545
+ClC(Cl)=C(c1cc(c(cc1)CN)O)Cl	2886
+ClC(Cl)=C(c1cc(cc(C(=C(Cl)Cl)Cl)c1)CN=[N+]=[N-])Cl	545
+ClC(Cl)=C(Cl)c1cc(O)ccc1	5
+ClC(Cl)=C(c1cc(cc(C(=C(Cl)Cl)Cl)c1)Cn2c(c(C(=O)N)nn2)N)Cl	4621
+ClC(Cl)=CC1C(C)(C)C1C(=O)OCc2cccc(-c3oc(cc3)Br)c2	1699
+ClC(Cl)=CCOc1cc(c(OCOC)c(c1)Cl)C	4622
+FC(F)(F)c1ccc(OCCCOc2c(cc(cc2I)OCC=C(Cl)Cl)Cl)nc1	4622
+Clc1cc(cc(Cl)c1OCCCCOCC=NOCC=C(Cl)Cl)OCC=C(Cl)Cl	410
+ClC(Cl)=CCOc1cc(CC)c(c(c1)CC)OCCCCOCC=NOCc2ccccc2	2236
+ClC(Cl)=CCOc1cc(CC)c(c(c1)CC)OCCCCOCC=NO	410
+FC(F)(F)c1cnc(cc1)OCCCON=C(C)COc2c(cc(cc2Cl)OCC=C(Cl)Cl)Cl	350
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)C#N)OCC=C(Cl)Cl)Cl	262
+Clc1cc(c2NC(=O)OC(=O)c2c1)Br	8895
+Clc1ccc(c([N+]([O-])=O)c1)CCOC(=O)Cl	2701
+Clc1ccc(CCN2C(Nc3c(ccc([N+]([O-])=O)c3)C2=O)=O)c(Cl)c1	8896
+Clc1ccc(c(Cl)c1)OC(c2sc(nn2)N=C=O)C	775
+FC(F)(C)CC(N=C=O)C(=O)OC	8897
+FC(F)(F)c1ccc(-c2c(ccc(c2)CC(OCC)=O)OC)c(CN(CC)C(NCc3ccc(cc3)Cl)=O)c1	8898
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)N=C=O	930
+c1ccc(F)c2c1C(CCO2)N3C(=O)Nc4c(nc(N)nc34)Cl	3716
+c1(N=C=O)cccc2cnc(cc12)C	930
+c1cncc2cccc(c12)N=C=O	930
+O=C=Nc1nnc(C)s1	775
+O=C=Nc1nnc(s1)SC	775
+C=CCc1nnc(N=C=O)s1	775
+ClCc1nnc(N=C=O)s1	775
+c1ccccc1S(=O)(=O)c2cc3OCCN(C(=O)Cl)c3cc2	8899
+O=S(=O)(C)c1sc(N=C=O)nn1	775
+S(C)c1cc(c(cc1Cl)Br)N=C=O	930
+c1c(-c2cnc(-c3ncc[nH]3)cc2)ccc4OCCN(Cc14)C(=O)Cl	2703
+c1(N=C=O)sc(C(C)Oc2cc(c(Cl)cc2)Cl)nn1	775
+c1c(Cl)c(c(cc1N=C=O)Cl)Oc2c(cc(OC(F)F)cn2)Cl	930
+c1c(c(cc(c1)-c2nsc3ccc(N=C=O)cc23)C)OC	930
+c1(cc(cc(Cl)c1)OC2CCN(C(=O)Cl)C2)Cl	8900
+c1cc(ccc1COC(Cl)=O)F	2701
+c1cc(ccc1N=C=O)Oc2cc(Cl)ncn2	930
+c1cc(ccc1N=C=O)OCCOCCOCCOC	930
+c1cc(ccc1Cl)SC2CN(C2)C(=O)Cl	8901
+c1ccccc1CCCc2cc(ccc2)N=C=O	930
+c1cc(ccc1)N2C(N(CC2)C3CCN(CC3)Cc4ccccc4)=O	8902
+c1ccccc1CON2c3cc(ccc3N=C(Cl)C2=O)-n4cncc4	8903
+c1ccccc1COc2ccccc2CN=C=O	8904
+c1cc(ccc1)CSc2nc3NC(=O)N(c4c(cccc4)Cl)Cc3cn2	8905
+c1cc(ccc1)N(c2cc(C)cc(C)c2)C(=O)Cl	8906
+c1(cc(cc(Cl)c1C#N)N=C=S)Cl	333
+FC(F)(F)COc1ccc(cc1)N=C=S	333
+FC(F)(F)Oc1ccc(cc1N=C=S)S(=O)(=O)N	333
+FC(F)(F)c1c(c(Cl)cc(N=C=S)c1)-c2ccc(cc2)S(=O)(=O)N3CCOCC3	333
+FC(F)(F)c1c(ccc(N=C=S)c1)C#N	333
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)N=C=S)Cl	333
+FC(F)(F)c1cc(ccc1)N=C=S	333
+S=C1N(CCCN1c2c(Cl)cccc2C)CC	8907
+N(=C=S)c1c(Cl)cccc1C	333
+Clc1ccc(N=C=S)cc1-c2c(cncc2)F	333
+c1(N=C=S)c(c(F)ccc1)F	333
+OB(O)c1cc(cc(C(O)=O)c1)N=C=S	333
+c1(C)cc(OC)ncc1N=C=S	4611
+CCC(N=C=S)(CCO)c1c(F)ccc([N+]([O-])=O)c1	8908
+N(=C=S)c1c(c(ccc1Cl)OC)Cl	333
+c1cc(OC)c(N=C=S)cc1Br	333
+c1cc(ccc1OCCn2cncc2)N=C=S	333
+c1cc(ccc1CC(=O)OC)Oc2cc(N=C=S)ccc2	333
+c1cc(ccc1N=C=S)S(=O)(=O)N	333
+c1cc(ccc1)-c2c(N=C=S)ccc(C)c2	333
+CC1(C)C(C(C(Cl)Cl)O)C1C(OCC)=O	100
+c1ccccc1C2(C)c3cc(C4CCCCC4)ccc3OC(O2)C(O)=O	8909
+ClC(Cl)C(CC(c1cc(F)c(cc1)OC)=O)=O	8910
+ClC(Cl)C(=O)NC(CF)C(O)c1ccc(cc1)I	271
+c1cc(ccc1-n2c(-c3ccc(c(F)c3)OC)cc(C(Cl)Cl)n2)S(=O)(=O)N	4623
+Clc1c(Cl)cc(c([N+](=O)[O-])c1)NCCCCl	1307
+N=1c2ccccc2C(N(CCCl)C=1CC)=O	1307
+O=Cc1c(O)c(Cl)ccc1	3010
+c1ccccc1Cc2cc(C=O)c(O)cc2	3010
+c1ccccc1Oc2cc(C=O)c(cc2)O	3010
+O(C)c1cc(cc(OC)c1OC)-c2nccc(c2)CCl	2164
+c1(nc(Cl)ccc1)CCl	8911
+ClC1(Cl)CC1(C)CCOc2ccc([N+](=O)[O-])cc2Cl	8912
+c1cc(ccc1)-c2c(C)nn(-c3ccc(cc3)CCCl)c2C	1307
+c1cc(ccc1CCl)-c2nc(COC(c3ccccc3)=O)sc2	2164
+c1cc(ccc1)COC(N2CCOC(CCCl)C2)=O	1307
+c1cc(ccc1N2C(=O)CCc3ccccc23)C(=O)Cl	8913
+O=Cc1cc(c(OC)c(Cl)c1Cl)OC	4624
+c12c(CCC1Cc3nc[nH]c3)cc(c(c2)C=O)OC	4624
+c1(cc(F)c2c(c1OC)cccc2)C=O	582
+c1(OC)cc(c(C=O)c(Oc2c(cc(c(C)c2OC)OC)C(OC)=O)c1)C	582
+O=Cc1c(OC)cc(C)c(F)c1	582
+c1c(c(c(F)c(c1)C=O)Br)OC	582
+c1c(cc2ccc(OC)c(C=O)c2c1)Br	582
+c1(cc(O)c2ccccc2c1C=O)C	582
+c1cc(ccc1)-c2cc3ncnc(Nc4ccc5[nH]cc(C=O)c5c4)c3s2	4625
+c1cc(ccc1-n2c(cc(C=O)c2)C#N)C(=O)OCC	4625
+C1CC1(C#N)c2cc(c(cc2)OC)C=O	582
+c1cc(ccc1S(=O)(=O)NCC2Cc3c(cc(C=O)cc3)C2)Cl	582
+O=Cc1ccc(c2c(C)cccc12)O	582
+c1c(ccc(OC)c1Sc2ccccc2C(OC)=O)C=O	582
+O=Cc1c(cccc1)CCCCCCC	582
+c1ccccc1COc2ccc(C=O)cc2CC	582
+FC(F)(F)C1(ON=C(C1)c2ccc(C(O)=O)c(c2)C)c3cc(Cl)c(c(Cl)c3)F	1423
+o1nc(-c2cc(F)ccc2)c(c1N)C(=O)OC	8914
+C1C(CC1=O)CCC(=O)OCC	2744
+CC1(C)C(Cl)(Cl)C1CC#N	677
+c12c(ccc(OC)c1)CCC(Cl)C(=O)N2	4626
+C12CC(=O)CC1C(CC2)CCCCC(CC)OC	8915
+ClC1(Cl)CC1(C)C(=O)Cl	130
+ClC1(Cl)CC1(C)CCOc2ccc(N)cc2Cl	0
+c1c2NC(C(Cl)CCc2c3ccccc3c1)=O	4626
+c1cc(ccc1OC)COC=2C(N(C)C(=NC=2)Cl)=O	8916
+Clc1ccc(C=Cc2occ(n2)CCl)cc1F	2237
+Clc1cn2cc(nc2c(Cl)c1)CCl	1261
+FC(F)(F)c1ccc(cc1)C=Cc2occ(n2)CCl	2237
+FC1(F)Oc2c(cc(cc2)C=Cc3occ(CCl)n3)O1	2237
+c1(c(Br)sc(-c2occ(CCl)n2)c1)C	8917
+c1cccn2cc(nc12)CCl	1261
+n1c(cn2nc(cnc12)-c3ccc(cc3F)F)CCl	8918
+c1c(ccc(C=Cc2occ(n2)CCl)c1F)F	2237
+c1c2nc(cn2c(cc1)F)CCl	1261
+c1cc(ccc1-c2nc(co2)CCl)Cl	4627
+c1cc(ccc1N2C(=O)n3c(nc(c3)CCl)C=C2)F	8919
+n1c(-c2nc(cs2)CCl)c3n(-c4ccccc4C(N(C)C3)=O)c1	2381
+c1ccccc1COc2ccc(cc2)-c3occ(n3)CCl	4627
+c1nc(-c2scc(n2)CCl)c3CN(C(c4c(ccc(c4Cl)F)-n13)=O)C	2381
+ClCC(CCl)Oc1c(cccc1)[N+]([O-])=O	57
+O=S(=O)(c1[nH]nc2c(OC(CCl)CCl)cccc12)c3cccc4ccccc34	1025
+O=S(=O)(c1c2c(ccc1)cccc2)Cc3cccc(c3[N+](=O)[O-])OC(CCl)CCl	1177
+O=C1c2c(N=C(N1c3ccc(c(c3)Cl)Cl)SCC(=O)NC4c5c(CC4)cccc5)cccc2	8920
+C1=CCC(C1)(C(=O)OC)c2cc(F)cc(OC)c2	8921
+c1([N+]([O-])=O)cccc(OCCCl)c1N	72
+C1CN(CCN1C)c2cc3c(cc2)c4cc(Br)cc(C(N)=O)c4[nH]3	386
+C1CN(CCC12C(=O)Nc3cccc(Br)c23)Cc4ccccc4	4628
+c1cc(ccc1)CN2CCC3(CC2)c4ccncc4NC3=O	4628
+C1CN(CCO1)c2cc(nc(Cl)n2)C3(CCN(CC3)Cc4ccccc4)S(=O)(=O)C	3772
+Clc1c(C(OC)=O)cc(c(Cl)n1)F	1170
+Clc1ccc2c(c(C(OC)=O)[nH]c2c1)NCC(c3ccc(F)c(F)c3)=O	8922
+O=S(=O)(C)NN1C(=O)Nc2cc(c(cc2C1=O)-c3ccnn3C)C(F)(F)C	8923
+FC(F)(F)COc1nc(ccc1)CCl	515
+FC(F)(F)c1c(C)n2nc(ccc2n1)CCl	515
+FC(F)(F)c1c(C)nc(cc1)Oc2cc(ccc2)CCl	229
+FC(F)(F)c1c(Cl)ccc(Oc2ccc(cc2C#N)CCl)c1	229
+FC(F)(F)c1c(F)ccc(Oc2ccc(cc2C#N)CCl)c1	229
+FC(F)(F)c1c(Br)cn(CCl)n1	8924
+FC(F)(F)c1cc(Oc2ccc(cc2)CCl)ccc1Cl	229
+FC(F)(F)c1ccc(Oc2cc(CCl)cc(c2)C)nc1	229
+FC(F)(F)c1ccc(cc1)-c2cc(CCl)cnc2	1045
+FC(F)(F)c1ccc(cc1)-c2sc(CCl)c(n2)CCCOCc3ccccc3	2814
+FC(F)Oc1ccc(CCl)cc1OC	229
+CC(C)n1nccc1-c2cc3C(N(C(=O)Nc3cc2C(F)F)NS(=O)(=O)C)=O	8925
+O=S(=O)(CCC)N(S(=O)(=O)CCC)c1c(c(c(c(c1)F)F)C(c2ccc3ncc(nc3c2)Cl)=O)F	8926
+N1(CC=C(C)c2cccc(c12)CCl)C	229
+NC(N)=Nc1nc(cs1)-c2cccc(n2)CCl	515
+O(C)c1c(C(Cl)C)cc(Cl)c(C)c1Br	4629
+O(C)c1cnc(c(Cl)n1)CCl	1736
+O(c1c(Cl)ncc(CCl)c1)C	1045
+O(c1cccc(c1)CCl)c2ncc(C)cc2	229
+c1c(cc2CCC(Oc2c1)C3CO3)F	8927
+O=S(=O)(NCc1cnccc1)c2cccc(c2)C=CC(Cl)=O	1755
+O=S(=O)(Nc1c2c(ccc1)cccc2)c3cccc(C=CC(=O)Cl)c3	1755
+O=S(=O)(Nc1ccccc1OC)c2cc(C=CC(=O)Cl)ccc2	1755
+O=S(=O)(c1cccc(C=CC(=O)Cl)c1)Nc2ccc3c(cccc3)c2	1755
+O=S1(=O)Nc2ccccc2CN1CCCCl	723
+c1(ccc(C)c(n1)C#N)CCl	515
+ClCc1ccc(cn1)C(=O)OC	515
+c1(C)cccc(C)c1CNc2cccn3c2nc(CCl)c3C	1736
+c1(CC)c(ccc(CCl)c1)Br	229
+c1(CCl)sc(NC(=O)C)nc1	2814
+COc1cc(cc(OC)c1OC)-c2ncnc(CCl)c2	515
+c1(c(c(Cl)ccc1)C(=O)OC)[N+]([O-])=O	1170
+c12c(c(Cl)ccc1)nc(-c3c(cccc3)F)c(CCl)c2	1045
+c1(CCl)cccnc1N2CC(CC2)F	1045
+c1(CCl)ccnc(Cl)c1C	229
+ClCc1n(C)nc(CC)c1Cl	515
+c1cccn2c1nc(CCl)c2CCC	1736
+C(Cl)c1cnc2c(c1)nc(s2)-c3c([N+]([O-])=O)cccc3	1045
+ClCc1nc2c(cc3c(c2)CC4(c5cccnc5NC4=O)C3)cc1	515
+c1ccc2CCCN(C)c2c1CCl	229
+Clc1cncc(Cl)c1CCl	229
+c1(cc(cc(Cl)c1)C(C)(C)C(=O)Cl)Cl	4265
+c1c(OC)c(Cl)ccc1CCl	229
+c1c(c(cc(c1Br)C#N)[N+]([O-])=O)N(C(C)CCl)C	723
+c1c(cc(N)c(c1)N(C)CCCl)Br	723
+c1(C(=O)OC)c(cc(cc1F)F)NC(=O)Cc2ccc3OCOc3c2	1170
+c1c(cnc(c1F)CCl)F	515
+c1c(ncc(-c2c(c(Cl)cc(c2OC)C(Cl)C)C)c1)C#N	4629
+c1cc(ncc1F)CCl	515
+c1ccccc1-c2c(c(C(OC)=O)c3c(cccc3)n2)C	1170
+c1cc(ccc1)-c2cc(cc3cc(ccc23)O)CCl	229
+c1cc(ccc1)C(=O)N2CCN(CC2)c3ccc(c(NCc4ccccc4)c3)C(OC)=O	1170
+c1cc(ccc1)C=CS(=O)(=O)Nc2cccc(c2)C=CC(=O)Cl	1755
+c1cc(ccc1)COC(=O)Nc2cc([N+]([O-])=O)c(c3ccccc23)CCCl	723
+c1cc(ccc1)N(C(C)C)CCCl	723
+c1cc(ccc1CCl)-c2nccnc2NS(=O)(=O)c3ccccc3Cl	229
+c1cc(ccc1CCl)-n2cc(cc2C#N)C=C	229
+c1cc(ccc1C#C)CCl	229
+c1cc(ccc1C#CC#N)C(=O)Cl	4630
+c1cc(ccc1C(=O)CNC(OCc2ccccc2)=O)C(Cl)=O	4630
+c1cc(ccc1CC(OC)=O)CCc2nc(NC(=O)C)sc2	3979
+c1cc(ccc1SC)CCl	229
+c1cc(ccc1SCCCCl)NC(=O)C	723
+c1cc(nnc1C(=O)OC)Cl	1170
+c1ccc2CN(Cc2c1)C(=O)c3c4cc(ccc4nc(n3)N)-c5cc(ccc5CCl)F	229
+c1cc(ccc1-n2c(nc(-c3c(noc3C)-c4ccccc4)c2)CCl)[N+]([O-])=O	8928
+c1cc(ccc1N(CC)CCCl)Nc2ncnc(c2)-c3cc(ccc3)-c4ccccc4	723
+c1ccccc1COc2nc(C)cc(C)c2CCl	1045
+c1ccccc1COc2c(OC)c(F)cc(CCl)c2	229
+c1ccccc1COc2ccc(-c3c(OC)ccc(c3)C(C)C)c(CCl)c2	229
+c1ccccc1N2C(C(=C(C)N2C)C(=O)OC)=O	8929
+c1ccccc1NC(Nc2ccc(cc2)CCl)=O	229
+c1ccccc1Sc2ccc(cc2C)CCl	229
+c1nc2ccc(SCCCSc3c(c(ncc3)CCl)C)nn2c1[N+]([O-])=O	515
+n1c(Nc2cc(cc(Cl)n2)CCl)sc(c1)C#N	229
+ClCc1c(nc(OC)cn1)OC	1736
+c1cc(ccc1)C(c2ccccc2)N3C(C4(COc5c4cc(OC)nc5)c6c3cccc6)=O	8930
+c1cc(ccc1)C(c2ccccc2)N3c4c(C5(COc6c5cc(c(c6)F)F)C3=O)cccc4	8931
+c1(-c2nc(F)ccc2)n(Cc3ncc(nc3OC)OC)ccn1	2238
+c1csc(-c2nccn2Cc3ncc(nc3OC)OC)n1	2238
+Oc1c(C(=O)C)cc(CC#N)cc1Br	177
+FC(F)(F)COc1nc(nc(CCl)c1)N	145
+ClCc1nc(N)nc(Cl)c1	64
+ClCc1nc(nc(Cl)c1)-c2ncccc2	64
+c1(ccc(Cl)cc1-c2c(c3c(nc(nc3cc2)N)N)Cl)OCc4ncccc4	412
+CNCc1ncccc1	1279
+c1c(c(Cl)cc([N+]([O-])=O)c1)OCc2ncccc2	412
+n1n(Cc2ncccc2)c3ccc([N+]([O-])=O)cc3c1	4631
+c1(cccc(F)c1NC(=O)c2oc(Cc3cc(ccc3OCc4ccccn4)Cl)cc2)F	412
+c12c(cc(cc1)Nc3ncnc4cccc(F)c34)ccn2Cc5ncccc5	8932
+c1cc(ccc1OCc2ccccn2)C(OCC)=O	412
+c1ccccc1CCOc2ccc(cc2OCc3ccccn3)C=O	412
+CC(C)Oc1c(Cl)cc(c(N2C(=O)C3=C(C2=O)CCCC3)c1)F	1550
+O=S(=O)(C)Nc1cc(NC(=O)OCC)c(F)cc1Cl	1550
+O=S(=O)(C)Oc1c(Cl)cc(c(-n2c(C)c(Cl)c(n2)C)c1)F	8933
+c1(ccccc1C2=NC(C(=O)N(C)c3ccc(N)c(c23)Cl)C)F	1550
+c1c(C)cc(Cl)c(N)c1[N+]([O-])=O	1550
+Nc1ncc(Cl)cc1I	4632
+FC(F)(F)C(=O)NCCc1c(ccc(c1)OC)I	694
+FC(F)(F)c1cc(c(N)c(I)c1)Cl	694
+c1(I)c(N)ncc(Cl)c1Br	4632
+O=Cc1c(cc(c(I)c1)OC)OC	694
+O=S(=O)(c1cc(ccc1N)I)N	694
+C(c1c(ccc(I)c1)N)(=O)c2ccccc2Cl	694
+Nc1c(C)cc(I)cc1[N+]([O-])=O	694
+Cc1c(c(nc(n1)N)N)I	2906
+c1c([N+]([O-])=O)cc([N+]([O-])=O)c(Sc2ccc(I)cc2NC(C)=O)c1	694
+c1cc(ccc1Cl)-c2cn3c(cnc3c(c2)C)I	8934
+c1(N)ccc(-c2sc3cc(OC)ccc3n2)cc1I	694
+c1c(cc(c(N)c1)C#N)I	694
+c1(Cl)nc(nc(c1I)N)C	2906
+c1c(c2c(sc(NC(c3sc(C)cc3)=O)n2)c(I)c1)OC	8935
+FC(F)(F)C(CCCCCCCC)(C(Cl)=O)F	4633
+O=S(=O)(c1nccn1CC(Cl)=O)C	4633
+c1cc(ccc1Cc2ccc(cc2)[N+]([O-])=O)CS(=O)(=O)Cl	8936
+O=S(=O)(c1ccccc1Cc2c(n(c3c2cc(F)cc3)CC(OC)=O)C)Cl	4634
+C(c1ccc(cc1I)F)(Cl)=O	3011
+c1c(ccc(Oc2cc(C(Cl)=O)ccc2[N+]([O-])=O)c1F)F	3011
+c1c(ccc(Sc2cc(C(Cl)=O)ccc2[N+]([O-])=O)c1F)F	3011
+O=S(=O)(Cl)c1ccc(cc1)OCC#Cc2ccc(cc2)Cl	4634
+c1([N+]([O-])=O)c(Cl)c(c(Cl)nc1)Br	137
+c1(cc(F)ccc1)-c2[n+](c(c(Cl)cc2C(=O)OC)Cl)[O-]	375
+Clc1cc(Br)cc(Oc2c(ccnc2Cl)C)c1	137
+Clc1cc2c(c([N+]([O-])=O)cnc2cc1)Cl	120
+Clc1cc2c(nc(CCC)nc2Cl)cc1	64
+Clc1cc2c(cc1)cc(nc2Cl)C#N	8937
+Clc1ccc(CCN2C(=Nc3c(ccc([N+]([O-])=O)c3)C2=O)Cl)c(Cl)c1	4635
+Clc1ccc(c(Cl)c1)-c2c(c(Cl)ncc2)[N+]([O-])=O	137
+Clc1ccc(c(Cl)c1)-c2cc3n(ccn3)c(Cl)n2	3992
+Clc1ccc2c(nc(Cl)nc2)c1	1047
+Clc1ccc2[n+](c(c3c(c2c1)n(cn3)-c4c(Cl)cccc4)Cl)[O-]	8938
+Clc1ccc2c(Cl)nncc2c1	218
+O=S(=O)(c1nc2nc(C)cc(n2n1)Cl)Nc3c(cccc3Cl)Cl	4636
+Clc1cccc(c1)-c2c3c(nc(n2)Cl)ccc(c3)Br	1047
+Clc1cccc(c1)-c2nc(Cl)cc(CC)n2	64
+Clc1cccc(c1)-c2nnc(Cl)c(C)c2	218
+FC(F)(F)c1n2c(nc(Cl)c1)c(cn2)C(=O)OC	8939
+FC(F)(F)Cc1sc2ncnc(Cl)c2c1	779
+FC(F)(F)Oc1ccc2c(c1)ccc(n2)Cl	532
+FC(F)(F)c1ncnc(Cl)c1C	64
+FC(F)(F)c1c(N2CCc3ncnc(Cl)c3CC2)nccc1	64
+FC(F)(F)c1nc2c(ccc(OC)c2)nc1Cl	1221
+FC(F)(F)c1cc(cnc1Cl)Br	137
+FC(F)(F)c1ncnc(Cl)c1Br	64
+FC(F)(F)c1c2nc(n(C)c2c(cc1)C(CC)CC)Cl	1088
+FC(F)(F)c1c([n+]([O-])c(cc1)Cl)Cl	375
+FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc(n1)Cl	740
+FC(F)(F)c1cc(Nc2nc(CCC)cc(Cl)n2)ccc1F	64
+FC(F)(F)c1cc(Cl)nc2c1cn[nH]2	137
+FC(F)(F)c1cc2c(cc1)c(c(C(NCc3cc(ccc3)F)=O)c(SCC)n2)Cl	120
+FC(F)(F)c1ccc2c(nc(nc2Cl)-c3c(SCC)cc(Cl)cc3)c1	64
+FC(F)(F)c1cc2c(cc1)c(Cl)nc(-c3c(SCC)cccc3)n2	64
+FC(F)(F)c1ccc(cc1)-c2cc(nc(Cl)n2)C	740
+FC(F)(F)c1cc2c(cc1)nc(c(C(OC)=O)c2Cl)C	120
+FC(F)(F)c1ccnnc1Cl	218
+FC(F)(F)c1cc2c(Cl)nccc2nc1	3012
+FC(F)(F)c1c2c(ncnc2Cl)sc1	779
+FC(F)(F)c1nc(Cl)c2c(n1)cccc2	64
+FC(F)(F)c1ccc(cn1)-c2cc(nc(n2)Cl)C	740
+FC(F)(F)c1cc(c(cn1)I)Cl	120
+FC(F)(F)c1ccn(-c2ccc(c([n+]2[O-])Cl)C)n1	375
+FC(F)(c1ncc(cc1)F)c2nc(Cl)c3c(cccc3)n2	64
+FC(F)(c1ccc(F)cn1)c2nc(c3c(cc(OC)cc3)n2)Cl	64
+FC(F)(c1nc2c(cccc2Cl)c(n1)Cl)c3ncc(F)cc3	64
+c1(F)cc2nc3n(nc(C)c3c(c2cc1F)Cl)-c4ncccc4	4561
+Ic1c2c(n(n1)C)ncnc2Cl	1203
+N#Cc1c(Cl)nc(C)c(c1)[N+](=O)[O-]	137
+N#Cc1c(Cl)ncc(I)c1	137
+N#Cc1c(c(F)ccc1)-c2cc(ccc2F)-c3cc(Cl)nnc3	218
+N#Cc1c2c(c(Cl)nc1)cc(Br)s2	1799
+c1cc2c(cc1)nc3n2c(Cl)c(CCCCCC)c(c3C#N)C	8940
+c1(c2ccc(cc2c(Cl)nn1)Br)O	8941
+O(C(C)=O)CCc1c[nH]c2nc(SC)nc(Cl)c12	1032
+O(C)CCOc1ccc2nc(Cl)n[n+]([O-])c2c1	4637
+c1c(nc(Cl)c(c1Cl)[N+]([O-])=O)COC	8942
+O(C)c1c(C)nccc1Cl	120
+c12c(cc(OC)cc1OC)ncnc2Cl	64
+O(CC)C(=O)C(C)c1cccc(Cl)[n+]1[O-]	375
+c1cc2c(cc1)c(O)c(C(OCCCC)=O)nc2Cl	137
+n1c(Cl)c(c(nc1)COC)C	64
+O(c1c(Cl)ncnc1)C	64
+O(c1c(Cl)nccc1)C	137
+O1CCOC12CCc3c4c(sc3C2)ncnc4Cl	779
+C(C)N(CC)S(=O)(=O)c1c(n2c(nnc2Cl)cc1)C	8943
+O=S(=O)(Nc1c(ccc(C)c1Cl)Cl)c2nc3nc(C)cc(n3n2)Cl	4636
+O=S(=O)(c1cccc(-c2cnc(c3[nH]c4c(cc(C)cn4)c23)Cl)c1)CC	8944
+O=S(=O)(Cl)c1cc2c(ncc(Cl)c2cc1)Cl	137
+c1cc(ccc1-n2c3ncnc(Cl)c3cn2)S(=O)(=O)C	1203
+c1(C#N)cnn2cc(cc2c1Cl)Br	2411
+c1([N+]([O-])=O)cnc2c(CCC2)c1Cl	120
+c1nnccc1-c2nc3ccccc3c(Cl)n2	64
+c1cccc(-c2nc(c3sccc3n2)Cl)c1OC	2679
+c1c(c(OC)ccc1-c2nc(c3ccc(OC)cc3c2)Cl)F	137
+c1cc2ncccc2cc1C(=O)c3cc4c(cc3)nc(nc4-c5cc(ccc5)Cl)Cl	1047
+n1c2ccccc2c(Cl)nc1CCl	64
+c1c(Cl)nc2c(C(CCC2)=O)c1	137
+c1c(Cl)nc2c(C(NCC2)=O)c1	137
+c1cc2cccc(Br)c2nc1Cl	532
+c1cc2c(nc1Cl)c(ccc2)O	532
+c1cc2c(cc(Br)nc2)nc1Cl	532
+[N+]([O-])(c1cc2n(ncc(C#N)c2Cl)c1)=O	2411
+[N+](c1cc(Cl)c2ncc(C#N)c(Cl)c2c1)([O-])=O	120
+c1(C(=O)OC)ccc([n+]([O-])c1CCl)Cl	375
+[O-][n+]1c(Cl)cnc(C(=O)OC)c1C	2904
+c1(c(Cl)[n+]([O-])c(Br)cc1[N+](=O)[O-])NC	375
+c1cccc(-c2nc3c(ccc(C)c3)c(Cl)n2)c1OC	64
+c1cccc(-c2nc3ccccc3c(Cl)n2)c1OC	64
+c1cccc(-c2nc3c(c(Cl)n2)cc(F)cc3)c1OC	64
+Clc1c2CSCc2nc(-c3ccc(s3)Cl)n1	64
+c1(Cl)c(C(=O)O)cc(cn1)[N+](=O)[O-]	137
+c1(C)c2c(c(Cl)ncc2Br)ccc1	137
+c1(c([n+]([O-])c(Cl)cc1C)Cl)[N+]([O-])=O	375
+n1c(C)c(c(nc1Cl)C)Br	740
+c1(C)nc2c(c(Cl)c1)cc(cc2OC)F	120
+c12c(Cl)cc(C)nc1c(Br)ccc2	120
+c1(CCCC(=O)OC)cc2c(ncc(C#N)c2Cl)s1	8945
+c1(F)c(Cl)cc[n+]([O-])c1C	8946
+c1(F)cc(cc(F)c1-c2c(Cl)nnc(-c3c(F)cccc3)c2-c4cc(OC)cc(c4)OC)F	218
+c12cc(F)c(F)cc1c(Cl)ncn2	64
+c1(I)c(Cl)ccnc1CC	120
+Clc1c2c(ccs2)ncc1[N+](=O)[O-]	8947
+n1c(C)nc(Cl)cc1N	64
+c1(c2ccc(OC)cc2c(Cl)nn1)COC	218
+c1([N+]([O-])=O)cc2c(ncnc2cc1F)Cl	64
+c1([N+]([O-])=O)ccc2c(c(cc(Cl)n2)C)c1	532
+c1([N+]([O-])=O)cccc(-c2c(C#N)c(Cl)nc(SC)n2)c1	64
+c1(c(-c2ccncn2)cc(c(n1)Cl)C#N)-c3occc3	137
+c1(c(c(Cl)ncc1)C#N)C	137
+c1(c(CC)nc(Cl)c(c1)C#N)C(=O)OCC	137
+c1(c(nc(nc1Cl)C)C(=O)OCC)CCC	64
+c1(c(F)ccc2ncc(Cl)nc12)C	1221
+c1(c(Cl)ncc(c1)C(OCC)=O)C	137
+c1(c([N+]([O-])=O)cc2c(ncnc2c1)Cl)NCC	64
+n1c(Cl)c(c(nc1CC)Cl)I	64
+c1(C(=O)O)c(Cl)c(Cl)nc(n1)-c2c(c(OC)c(Cl)cc2)F	64
+c1(c(F)c(ncn1)Cl)CC	64
+c1(Cl)nccc(O)c1[N+](=O)[O-]	137
+c12c(CCC1C)ncnc2Cl	64
+c1(c2c(Cl)ncc(c2sc1)C(OCC)=O)C	1799
+c12c(c(C)cc(c1)Br)nc(-c3cnccc3)nc2Cl	64
+c1nc(c2c(cc(OC)c(c2)F)c1OC)Cl	137
+Clc1c2c(ccc(c2nc(c1)C)F)F	120
+c12c(nc(nc1Cl)C)sc(C)c2	779
+c12c(Cl)nncc1cc(-c3c(C)ccc(c3)C(=O)OC)cc2	218
+c1c(cc2c(c(Cl)nnc2)c1)Br	218
+Clc1nc(C)nc2c(cccc12)O	64
+c1ccc2c(c(C)nc(c2c1)Cl)CC(=O)O	137
+c1(c2c(ccc1C)c(Cl)ncc2)-c3cc4c(cc3)nc(NC)nc4	137
+c1(c2n(ccnc2)nc1)-c3ncc([N+]([O-])=O)c(Cl)n3	64
+c1(C)cc(Cl)nc(-c2nc(CCC)ccc2)n1	64
+c1(C)cc(cc(C)c1)-c2c(ncc([n+]2[O-])Cl)-c3cc(C)cc(C)c3	2904
+c1(cc(ccc1)NC(C)=O)-c2nnc(cc2)Cl	218
+c1([n+]([O-])c(c(C)cc1)C(=O)OC)Cl	375
+c1(cncc(Br)c1Cl)Br	120
+c1(c(Cl)nc(C)cc1C)[N+]([O-])=O	137
+c1(ccc(cc1Cl)-c2nc(Cl)nc(c2)C)Cl	740
+N#Cc1c(O)nc(C)cc1Cl	120
+c12c(CCCC1)nc(N)nc2Cl	64
+n1c2c(c(Cl)cc1-c3c(cccc3)OC)cccc2	120
+c1(nc2c(c(Cl)c1)cc(cc2)Br)C	120
+c12ccccc1[n+](nc(Cl)n2)[O-]	4637
+c1(ccccn1)-c2c(nccc2)Cl	137
+n1cnc2COC(C)c2c1Cl	64
+n1cnc2n[nH]cc2c1Cl	1203
+c12c(Cl)nncc1c(c(C)cc2)I	218
+c12c(nc(Cl)n3c1ncn3)ccc(Br)c2F	8948
+c12c(Cl)nc(N)nc1-c3c(OCC2)cccc3	64
+C1CC(OC)c2ncnc(Cl)c12	64
+c1(Cl)c2c(c(C(=O)OC)cn1)n(C)cc2	3012
+c12CCCCc1nc(c([N+]([O-])=O)c2)Cl	137
+C(Oc1c(OC)cc2c(c(C#N)cnc2c1)Cl)CCCl	120
+COc1c(OCCOC)cc2ncc(C#N)c(c2c1)Cl	120
+c1([N+]([O-])=O)ccc2ncc(C#N)c(c2c1)Cl	120
+c12c(c(C)cc(c1)Br)nc(Cl)c(c2)F	532
+c12c(ncnc1Cl)sc(CC)c2	779
+c12c([N+]([O-])=O)cccc1c(ncn2)Cl	64
+c1cc2c(nc1Cl)c(F)ccc2	532
+c12N=C(N(CC)C(=O)c1cccc2Br)Cl	4635
+c12c(nccc1Cl)c(I)ccc2	120
+c12c(cnc(c1cccc2C)Cl)C(=O)O	137
+c12c(cncc1)[nH]c3c2c(ncn3)Cl	1032
+c12CCCc1ncnc2Cl	64
+Clc1c(Br)cc2c(ncnc2c1)Cl	64
+COc1c(OCCOC)cc2c(c(ncn2)Cl)c1	64
+COc1c(OCC)cc2c(c(ncn2)Cl)c1	64
+n1cnc2cnc(cc2c1Cl)-c3nnc(o3)C	64
+n1cnc2c(ccc(C)n2)c1Cl	1032
+c12nnc(Cl)c(c1CCCC2)C#N	218
+c12c3c(-c4c(C)c([N+]([O-])=O)ccc4)nnc(Cl)c3[nH]c1cc(cc2)C(=O)C	4638
+c12c3c(c(Cl)cc(C)n3)ccc1cccn2	120
+c12cc(OC)cc(OC)c1c(Cl)ccn2	120
+c1(cnc2ccc(OC)cc2c1Cl)C(=O)OCC	120
+c12cc([nH]c1c(ncn2)Cl)-c3occc3	1268
+c12cc(cc(c1c(ncn2)Cl)OCCCl)OC	64
+c1(nc2ccc(C)cc2[nH]1)Cl	3013
+c1(-c2cccc(OC)c2)c3ccc(OC)cc3c(Cl)nn1	218
+c12ccc(C#N)cc1[nH]c3c2c(ncn3)Cl	1032
+Clc1ccnc2nc(C)ccc12	3014
+Clc1ccnc2c1ccc(CCC)n2	3014
+[n+]1([O-])c2c(cc([N+]([O-])=O)c1Cl)cccc2C	3015
+O(C)C(Cc1c(nc2c3c(nn2c1Cl)cccc3)C)=O	8949
+Clc1ccc2cc3c(CC4(c5cccnc5NC4=O)C3)cc2n1	532
+c1c(OC)ccc2n3c(nnc3c(Cl)nc12)CC	8950
+n1c2ccc(C)nc2c(Cl)cc1	4639
+n1cc(c(Cl)c2c1cccc2)I	120
+Cc1ccc2c(cc[n+]([O-])c2Cl)c1[N+]([O-])=O	375
+c1(Br)c2c(ccc1)c([n+](cc2)[O-])Cl	375
+c1c2c(c([n+](c1OCC)[O-])Cl)cccc2	375
+c1c(-c2cc3nc(C)c(CC(OC)=O)c(Cl)n3n2)cc4CCCCc4c1	4263
+c1c(Br)c(Cl)cc2nc(Cl)ncc12	1047
+CC(C)c1ccc(c(OCc2c(C)nc(-c3c(C)cccc3C)nc2Cl)c1)C	64
+c1c(C)c(c(cc1)C)Oc2cc3c(Cl)nc(-n4cc(cn4)C(=O)OCC)nc3cc2F	64
+c1c(C)ccc(N2CCc3c(C2)c(ncn3)Cl)n1	64
+c1c(C)nn(CC(=O)c2c(cc(nc2C)C)Cl)c1C	120
+c1c(c(C)c([N+]([O-])=O)cc1)CCCl	8951
+Clc1cc(cc(Cl)c1-n2cc3c(Cl)[n+]([O-])cc(c3n2)F)[N+]([O-])=O	8952
+Cc1c(Cl)c2c(nc1-c3c(cccc3)F)cccc2	8953
+Fc1cc(cc(F)c1)-c2n3nc(C)cc3nc(Cl)c2	4640
+c1c(OC)ccc2[n+]([O-])c(c(cc12)[N+]([O-])=O)Cl	3015
+[n+]1(cc(Br)cc(OCC)c1Cl)[O-]	375
+c1c(c(cc(-c2nc3c(cc2)ncnc3Cl)c1)C)OC	1268
+n1c(nc(-c2c(cccc2)OC)cc1Cl)CC	64
+c1c(cc2c(c([N+]([O-])=O)cnc2c1)Cl)Br	120
+c1(cnc2ccc(cc2c1Cl)Br)C(=O)OCC	120
+c1c(cc2c(c1)ncc(Cl)n2)Br	1221
+c1c(cc2c(Cl)cc(-c3cc(F)ccc3)nc2c1)Br	120
+c1c(cc2ncc([N+]([O-])=O)c(c2c1)Cl)Br	120
+c1c(ccc(c1F)-c2[n+](c(ccc2C(=O)OCC)Cl)[O-])F	375
+c1c(Cl)c(-c2cc3n(n2)c(ccn3)Cl)ccc1	8954
+c1(nc2c(c(F)ccc2)[nH]1)Cl	3013
+c1(nc2cccc(Cl)c2[nH]1)Cl	3013
+c1(ccccc1-c2nnc(Cl)c3c2ccc(OC)c3)OC	218
+c1c2c(ccc1OC)c(Cl)nc(Nc3ccn[nH]3)c2	137
+N#Cc1cnc2c(c1Cl)cc3c(c2)cc(OCCCl)c(OC)c3	120
+N#Cc1cnc2c(c1Cl)cc3c(cc(c(OC)c3)O)c2	120
+c1c2c(nc(Cl)nc2)cc(OC)c1Br	1047
+c1(cc(F)ccc1Oc2c3c(nc(cc3)Cl)ccc2OC)F	532
+c1c2c(c(Cl)ncc2[N+](=O)[O-])ccc1	137
+c1c2c(ccc1C)ccnc2Cl	137
+c1c2c(ccc1OC)c(cc(Cl)n2)C	532
+c1c2c(ccnc2)c(nc1-c3cc(Cl)ncc3)Cl	137
+c1ccc2c3cc(Br)ccc3nc(Cl)c2c1	532
+c1c2ccc(Cl)nc2ccc1OC	532
+c1c2nccc(Cl)c2ncc1OC	4639
+c1(c(-c2ccc(s2)Cl)nn(c1)C(C)CC)-c3cc[n+](c(c3)Cl)[O-]	375
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4cc(Cl)[n+]([O-])cc4	375
+CC(C)c1ccc(cc1)-c2cc[n+](c(Cl)c2)[O-]	375
+c1cc(Br)c(Cl)[n+]([O-])c1C(=O)OC	375
+c1cc(cc(F)c1F)-c2cc(nc3cc(C)nn23)Cl	4640
+c1cc(cc(c1Cl)Cl)N=C(N)Nc2nc(cc(Cl)n2)C	64
+CC(C)c1c(cc(c(n1)Cl)C#N)-c2ccccc2	137
+c1ccccc1-c2nc3c(cccc3)c(c2)Cl	120
+c1ccccc1-c2nc(nc(c2)Cl)N	64
+c1cc(ccc1)-c2cc3c(cc2)c(c([N+]([O-])=O)cn3)Cl	120
+c1cc(ccc1)-c2cnc(c(C#N)c2)Cl	137
+c1ccccc1-c2nc(c(c(n2)Cl)C(C(OC)=O)CCC)C	64
+c1cc(ccc1)-c2nnc(c3cc(ccc23)OC)Cl	218
+c1ccccc1-c2oc3c(c(ncn3)Cl)c2-c4ccccc4	2239
+c1cc(ccc1OC)-c2c3c(Cl)ncnc3oc2-c4ccccc4	2239
+c1ccccc1-c2nnc(cc2N3CCN(CC3)C(c4ccccc4)=O)Cl	218
+c1cc(ccc1)C(c2c(c3c(c(OC)ccc3)nc2)Cl)=O	120
+c1ccccc1CCc2cc([n+](c3ccc(C(=O)c4ccc(cc4)Cl)cc23)[O-])Cl	3015
+c1cc(ccc1)CN2CCc3c(CC2)ncnc3Cl	64
+c1cc(ccc1)CN2Cc3ccc(nc3C(C)(C)C2)Cl	137
+c1cc(ccc1)COC(N2CCc3c(C2)nc(nc3Cl)SC)=O	64
+c1cc(ccc1)COC(=O)N2CCc3c(c(Cl)n4nccc4n3)CC2	3833
+c1cc(ccc1)Cc2c(nc(N)nc2Cl)C	64
+c1cc(ccc1)Cc2nnc(c3c2c(OC)cc(OC)c3)Cl	218
+c1cc(ccc1)Cn2ccc3c2c(Cl)nc(N)n3	1268
+c1cc(ccc1)OCc2c3ccc(OC)cc3c(Cl)nn2	218
+c1cc(ccc1)Oc2ccc(cc2)-c3c(c(cc(C4CCN(CC4)C(=O)OCc5ccccc5)n3)Cl)C#N	120
+c1cc(ccc1)Sc2cnc(Cl)cc2	137
+c1cc(ccc1-c2[n+]([O-])c(c(o2)C)CCl)C(OC)=O	8955
+c1cc(ccc1Cl)-c2c(c(Cl)nnc2)-c3ccncc3	218
+c1cc(ccc1-c2cncnc2Cl)C	64
+c1cc(ccc1)-c2oc3c(c(Cl)ncn3)c2-c4ccc(cc4)CC	2239
+c1cc(ccc1F)-c2cnnc(c2)Cl	218
+c1cc(ccc1OCc2ccccc2)-c3cc(nnc3CCCC)Cl	218
+c1cc(ccc1Cl)-c2c(nc(Cl)c(c2)C#N)-c3c(Cl)cccc3	137
+c1cc(ccc1-c2[nH]c3ncnc(c3c2)Cl)[N+](=O)[O-]	1032
+c1cc(ccc1-c2nc(c3ccsc3c2)Cl)OC	1799
+c1cc(ccc1-c2ccc3c(Cl)c(nnc3c2)I)S(=O)(=O)C	4641
+c1cc(ccc1-c2ccccc2)Cn3nc4N=C(N(C)C(=O)c4c3)Cl	8956
+c1cc(ccc1)-c2c(nc(Cl)c(C#N)c2)-c3ccc(cc3)C	137
+c1cc(ccc1-c2ncc(OC)c(Cl)n2)[N+](=O)[O-]	64
+c1cc(ccc1-c2nn(C)nn2)-c3nnc(c4cc(ccc34)OC)Cl	218
+c1cc(ccc1-c2nnc(Cl)c3cc(F)ccc23)F	218
+c1cc(ccc1C#N)-c2c(C)cc(Cl)nn2	218
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3cc4c(cc3)ncnc4Cl	64
+c1cc(ccc1C)-c2cc(c(nc2-c3c(cc(cc3)Cl)Cl)Cl)C#N	137
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)-c3nnc(Cl)cc3	218
+c1cc(ccc1)CN2N=C(C(c3ccc(cc3)Cl)=CC2=O)Cl	8957
+c1cc(ccc1C(OC)=O)-c2nc3n(ncc3)c(Cl)c2	8958
+c1cc(ccc1CC#N)Sc2c(nc(N)nc2C)Cl	64
+c1cc(ccc1F)CN2c3ccccc3C(Cl)=C(C#N)C2=O	2050
+c1cc(ccc1CN2c3c(cc(c(c3)F)C(=O)OC)N=C(Cl)C2=O)OC	4642
+c1cc(ccc1Cc2nnc(c3ccccc23)Cl)OC	218
+c1cc(ccc1-c2c3n(nc2-c4c(Cl)cccc4)c(Cl)cc(C)n3)Cl	1591
+c1cc(ccc1-c2c(nnc(Cl)c2)-c3ccccc3Cl)Cl	218
+CC(C)c1cc(Cl)nc(-c2ccc(cc2)Cl)n1	64
+c1cc(ccc1Cl)N2c3c(cccc3)N=C(Cl)C2=O	4642
+c1cc(ccc1Cn2c3c(Cl)nncc3cc2C)OC	4638
+c1cc(ccc1Cn2nc3c(c4c(cccc4)nc3Cl)c2)OC	8959
+c1cc(ccc1-c2nc3c(cccc3)c(Cl)c2)F	120
+c1cc(ccc1F)-c2ccc3ncnc(Cl)c3c2	64
+c1cc(ccc1F)C(F)(F)c2nc(c3sccc3n2)Cl	2679
+c1cc(ccc1Nc2nc(Cl)c(Br)cn2)S(=N)(=O)C	64
+c1cc(ccc1N(c2nc(Cl)c3cc(ccc3c2)Cl)C)O	137
+c1cc(ccc1-c2c3c(ncnc3Cl)oc2-c4ccccc4F)OC	2239
+c1cc(ccc1OC)C(=O)c2cc3c(nc(nc3cc2)Cl)-c4cc(ccc4)Cl	1047
+c1cc(ccc1OC)CN2c3c(C(=C(C2=O)C(OCC)=O)Cl)cc(cn3)F	8960
+c1cc(ccc1Cc2c(Cl)nc(nc2C)N)OC	64
+c1cc(ccc1-c2nc(c(CCCCCCCC)cc2)Cl)OCCCCCCCC	137
+c1cc(ccc1OCCCCCCCC)-c2nc(c(cn2)C(=O)OCC)Cl	64
+c1cc(ccc1[N+](=O)[O-])-c2cc(Cl)c(c(n2)-c3ccc(cc3)Oc4ccccc4)C#N	120
+c1cnccc1-c2nc(nc(c2)Cl)N	64
+c1cc2ncc(C#N)c(c2cc1I)Cl	120
+n1cnc2nc(ccc2c1Cl)Cl	1032
+c1cc2c(c(Cl)cc(n2)C)cc1I	120
+c1(cc(ccc1)OC)-c2[n+](c(ccc2CC(OC)=O)Cl)[O-]	375
+C1(=O)c2ccccc2C(=O)N1c3[n+]([O-])c(c(C)c(C)c3)Cl	375
+c1cccc(-c2ccc(Cl)nn2)c1O	218
+c1cc(ccc1)-c2nnc3c(c(ccc3)C)c2Cl	4641
+c1cc(ccc1)-c2nc(nc3c2cccc3)Cl	1047
+c1ccccc1-c2c(C#N)c(Cl)nc(C(C)C)c2	137
+c1cc(ccc1)-c2ncc(Cl)nc2	4505
+c1cc(ccc1)-c2c(nc(SC)nc2)Cl	64
+c1ccccc1-c2csc3c2c(Cl)nc(CCl)n3	779
+c1ccccc1-c2nc(c(C(=O)OCC)cn2)Cl	64
+c1cc(ccc1)-n2c(-c3ccccc3)nc4c2ncnc4Cl	8961
+c1ccccc1CN2Cc3nnc(Cl)cc3CC2	218
+c1ccccc1CN2Cc3ccc(Cl)nc3CC2	137
+c1ccccc1COC2CC(C2)S(=O)(=O)Cl	8962
+c1ccccc1COCC(C)Cc2nc(Cl)c(C#N)c(n2)-c3cc(c(Cl)cc3)Cl	64
+c1ccccc1COCc2ncnc(Cl)c2I	64
+c1ccccc1COCc2nc3c(c(Cl)n2)cc(cc3)OC	64
+c1ccccc1COc2cc3c(ncnc3cc2OC)Cl	64
+c1ccccc1COc2c(Br)cc3c(cc(nc3c2)C)Cl	120
+c1ccccc1COc2cc3c(c(cnc3cc2OCCOC)C#N)Cl	120
+c1ccccc1COc2cc3nccc(Cl)c3cc2	120
+c1ccccc1COc2c(OC)cc3c(c2)nccc3Cl	120
+c1ccccc1COc2ccc3c(c([N+]([O-])=O)cnc3c2)Cl	120
+c1ccccc1CSc2cc3c(F)cnc(Cl)c3cc2	137
+c1ccccc1CSc2cc3ncnc(Cl)c3cc2	64
+c1ccccc1Nc2nc(C)cc(n2)CCl	8963
+c1ccccc1Oc2ccc3ncc(C(=O)OCC)c(Cl)c3c2	120
+c1cc(-c2cc(cc(-c3ccccn3)n2)Cl)ncc1	120
+c12ccc(C)c(c1ccnc2Cl)I	137
+c1cc(ccn1)-c2c(nc(nc2Cl)N)-c3cc(F)ccc3	64
+c1cc(ccn1)-c2ncc(C(OCC)=O)c(Cl)n2	64
+c1(Cl)cnc2c(ccnc2Cl)n1	1221
+S(c1ccc2ncc(Cl)nc2c1)C	1221
+c1nccc(C=2N=C(Cl)N(C(C=2)=O)C)n1	8964
+n1(-c2ccc3c(c(ncn3)Cl)c2)ccnc1	64
+n1(-c2ncccc2Cl)ncc3c(ncnc13)Cl	1203
+c12n(ccn1)c(Cl)nc(-c3cnn(C)c3)c2	8965
+c1(Cl)n2nc(C)cc2nc(C)c1	8966
+n1cnc2n(-c3ncccc3)ncc2c1Cl	1203
+n1c(C)c(c(nc1Cl)C)C(OCC)=O	740
+n1c(nc(Cl)c2cc(C)ccc12)CCl	64
+n1c(nc(Cl)cc1)COC(CCCCC)=O	64
+n1c(Nc2ncc(C)c(c2)CCl)sc(c1)C#N	8967
+n1c(Cl)c2N(C(C(=Cc2cn1)C(OCC)=O)=O)C	218
+n1c(SC)nccc1-c2c(nc(Cl)c(C#N)c2)-c3occc3	137
+n1c(nc2sccc2c1Cl)C(=O)OCC	779
+c1(N)nc(Cl)nc(C#N)n1	8968
+c12c(nc(C)nc1Cl)CCCC2	64
+n1c(Cl)c(C#N)cnc1Nc2cccc(OC)c2	64
+c1(Cl)nc(nc2c1[nH]cc2)CCCC	1268
+c12cc3c(OCO3)cc1c(Cl)ncn2	64
+n1c2ccc([N+]([O-])=O)cc2c(Cl)nc1-c3nccnc3	64
+c1c(c2c(nc1CCC)ccc([N+]([O-])=O)c2)Cl	120
+n1c2ccc(cn2c(-c3nc(Cl)ccn3)c1)F	64
+n1cc(I)c(c(C#N)c1)Cl	120
+n1ccc(nc1Nc2cccc(-c3csc(n3)C)c2)Cl	64
+n1cccc2c(Cl)nccc12	3012
+c1nc(Cl)nnc1-c2ccccc2F	8969
+n1nn2c(c([N+](=O)[O-])c(c3c2cccc3)Cl)n1	3014
+c1cc2c(nnc(-c3cscc3)c2cc1)Cl	218
+C(c1ccncc1Cl)(=O)Cl	82
+Clc1c2c(c(ncn2)Cl)ccc1	569
+Clc1cc(cc(OC)c1)CCl	109
+Clc1cc(OC(C)C(OC)=O)c(cc1)CCl	109
+Clc1cc2oc(CCl)cc2c(Cl)c1	2240
+Clc1ccc(c(-c2c(cno2)CCl)c1)Cl	1703
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(Cl)=O)n2)c1	130
+c1(Cl)cccc(Cl)c1-c2noc(C(C)C)c2CCl	1703
+Clc1nc2c(cc1C(Cl)=O)cccc2	1082
+FC(F)(C(=O)Nc1cccc(OC(CCCCCCCCCCCC)C(=O)Cl)c1)C(F)Cl	130
+FC(F)(CCC(=O)Cl)Cl	130
+FC(F)(F)C(=O)N1CCC(CC1)c2ccc(cc2)C(Cl)=O	82
+FC(F)(F)C(C1=CC(=O)C(OCc2ccccc2)=C(N1C)CCl)O	8970
+FC(F)(F)C1CCC(CC1)C(=O)Cl	130
+FC(F)(F)CCN1CCC(CC1)C(Cl)=O	130
+FC(F)(F)CCOc1c(Cl)cc(c(c1Cl)C(=O)Cl)F	82
+FC(F)(F)CCSCCC(Cl)=O	130
+FC(F)(F)CNC(=Nc1cccc(c1)CCl)N	8971
+FC(F)(F)COc1cc2c(cc1OC)c(Cl)ncn2	569
+FC(F)(F)CSCC(=O)Cl	130
+FC(F)(F)Oc1cc(C(Cl)=O)cc(C#N)c1OC	82
+FC(F)(F)Oc1c(OC)c(cc(C(=O)Cl)c1)Cl	82
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(n2)C)CCl	512
+FC(F)(F)Oc1ccc(cc1)OCC(=O)Cl	130
+FC(F)(F)c1c(-c2[nH]c3ccc(C(=O)Cl)cc3n2)c(Cl)ccc1	82
+FC(F)(F)c1cc(ccc1OCC2CC2)CCl	109
+FC(F)(F)c1cccc2c(n(-c3ccccc3)nc12)Cl	8972
+FC(F)(F)c1c(C#N)cc(-n2nnnc2CCl)cc1	2176
+FC(F)(F)c1c(cccc1)S(=O)(=O)Nc2c(nccn2)-c3ccc(cc3)CCl	109
+FC(F)(F)c1c(C(Cl)=O)sc(C)n1	8973
+FC(F)(F)c1cc(ccc1)-c2nc(c(C(CC)Cl)cc2)C	4643
+FC(F)(F)c1cc(c(c(c1)[N+]([O-])=O)Cl)C(Cl)=O	82
+FC(F)(F)c1c(OCCCCCCC)ccc(CCl)c1	109
+FC(F)(F)c1cc(c(c(c1)OC)C(=O)Cl)SC	82
+FC(F)(F)c1cc(ccc1CC2CCCCC2)CCl	109
+FC(F)(F)c1cc(nc(c1C(Cl)=O)Cl)Cl	1082
+FC(F)(F)c1ccc(cc1)-c2cc(c(s2)CCl)C	3016
+FC(F)(F)c1ccc(cc1)-c2cnc(CCl)cc2	512
+FC(F)(F)c1ccc(cc1)CC(Cl)=O	130
+FC(F)(F)c1ccc2c(c(cnc2c1)CCl)O	447
+FC(F)(F)c1csc(CCl)c1	3016
+FC(F)(F)c1ncc(-c2nc(c(cn2)CCl)CCOC)cc1	4644
+FC(F)Oc1c(F)c(C(=O)Cl)cc(c1F)F	82
+FC(F)Oc1cc(nn1C)-n2c(C)c(C(Cl)=O)cn2	3017
+FC(F)c1c(c(n(n1)C)F)C(Cl)=O	3017
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3nc(cs3)C=4CC(ON=4)c5c(CCl)cccc5	109
+FC1(F)Oc2c(ccc(CCl)c2)O1	109
+C1CC1(c2ccc3OC(F)(F)Oc3c2)C(=O)Cl	130
+Fc1c(cc(c(C(=O)Cl)c1)Cl)F	82
+Fc1c(F)cc(c(c1)C(=O)Cl)Br	82
+c1c(F)c(c(cc1C(Cl)=O)F)OCC#C	82
+c1(cncc(F)c1N=C(c2c(Cl)cccc2[N+](=O)[O-])Cl)F	3018
+c1(cncc(F)c1N=C(c2c(cccc2F)Cl)Cl)F	3018
+c1(c(C#N)cccc1C(Cl)=O)C	82
+N1(c2c(C(=O)N(c3ccc(Cl)nc13)C)cc(CCl)cn2)CC	447
+N1=NN(c2c(Cl)ccc(C(Cl)=O)c2Cl)C(=O)N1C	82
+Nc1ccc(C(Cl)=O)cc1[N+]([O-])=O	82
+n1snc2nc(ccc12)Cl	8974
+c1(c(c(C(=O)OC)cc2nsnc12)N)Cl	8975
+O(C)CCCCOc1cc(ncc1)CCl	512
+O(C)c1c(CCl)cnc(C)c1Cl	447
+C(c1c(OC)ncc(F)c1)(=O)Cl	1082
+O(c1c(CCl)cc(F)c(C)n1)C	447
+O(c1c(OC)cc2c(c(ncn2)Cl)c1)C(C)=O	569
+O(c1c2C(CCCc2nc(Cl)c1)Cl)C	4643
+C1(CCCc2cc(Oc3ncc(cc3)C(=O)N)ccc12)Cl	525
+O1c2c(OC1)c(Cl)cc(c2)CCl	109
+O1c2cc(cc(F)c2OC1)CCl	109
+c1(C(Cl)=O)cn(c2c1ccc(OC)c2)-c3c4ccccc4ncc3	1082
+O(c1cc(cc(OC(=O)C)c1)C(Cl)=O)C(=O)C	82
+C1Cc2c(-c3cccc(C(Cl)=O)c3C1)cccc2	82
+O=C1Nc2c(cccc2)C(C1)CCCl	221
+O=Cc1cc(C(Cl)=O)cc(C)c1	82
+c1cc(ccc1NS(=O)(=O)C)C(=O)Cl	82
+O=S(=O)(C)Nc1c(C(N2CCCC(C(Cl)=O)C2)=O)cccc1	130
+O=S(=O)(C)c1c(-c2nocc2)c(C)c(cc1)C(Cl)=O	82
+O=S(=O)(C)c1ccc(c(Cl)c1C(Cl)=O)C(=O)OC	82
+O=S(=O)(Cl)C1(CC1)CC=C	1439
+O=S(=O)(Cl)CCC1CCCC1	1439
+O=S(=O)(Cl)Cc1cc2c(cccc2)cc1	1439
+O=S(=O)(N(c1cccc2c1[nH]c(-c3sc(cn3)CCl)c2)C)c4cccs4	8976
+O=S(=O)(N)c1c(C)ccc(C(=O)Cl)c1	82
+O=S(=O)(C)Nc1cc(ccc1)C(C)Cl	525
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1)Cl)Cl	895
+O=S(=O)(Cl)c1cc(c(Br)c2c1cccc2)CCOC(C)=O	895
+O=S(=O)(Cl)c1c(C(C)=C)cccc1	895
+O=S(=O)(c1c(ccc(C)c1)[N+](=O)[O-])Cl	895
+O=S(=O)(N)c1cc(ccc1Cl)C(Cl)=O	82
+O=S(=O)(Cl)c1c(cc(c(C)c1)F)[N+]([O-])=O	895
+O=S(=O)(c1ccc(C(=O)Cl)c(c1C2=NOCC2)C)C	82
+O=S(=O)(c1ccc(c(c1)C(=O)O)Cl)N2CCC(CC2)CCl	221
+O=S(=O)(c1ccc(cc1)C)N2C(CC(=O)NCCc3ccc(cc3)CCl)C(NC=C2)=O	109
+O=S(=O)(Cl)c1c([N+](=O)[O-])cc(C)cc1	8977
+O=S(=O)(c1cc2c(ncnc2O)cc1)Cl	895
+O=S(=O)(c1cccc(c1)C=CC(=O)OC)Cl	895
+O=S(=O)(c1ccc2c(CCCC2Cl)c1)c3ccccc3	525
+O=S(=O)(c1c(nccc1)C(=O)Cl)CC	1077
+c1cc(ccc1S(=O)(=O)Cl)C#Cc2ncccc2	8978
+n1c(nc(Cl)c2ccccc12)-c3cc(ccc3)OC(=O)C	569
+c1cc([N+]([O-])=O)cc(-c2nc3ccccc3c(Cl)n2)c1	569
+[N+]([O-])(c1cc(-n2nccc2)c(Cl)nc1)=O	4496
+C(Cl)(c1cccc([N+]([O-])=O)c1C)=O	82
+c1(-c2nc3cc(c(OC(C)=O)cc3c(Cl)n2)OC)cc([N+]([O-])=O)ccc1	569
+Clc1c(C(Cl)=O)c(C)ccc1	82
+c1c([N+]([O-])=O)c(F)c(C(Cl)=O)c(F)c1	82
+c1(I)c(OC)c(Cl)cc(C(Cl)=O)c1	82
+C(c1cc2c(s1)nc(Cl)cn2)(=O)Cl	2115
+Clc1cccc2cc(C(Cl)=O)sc12	2115
+c1(C)nc(Cl)cc(c1)CCl	109
+c1(Cl)cc(cc(Cl)c1C(Cl)=O)[N+](=O)[O-]	82
+Clc1cc(cc(Cl)c1C(C(Cl)=O)c2ccc(cc2)Cl)N3N=CC(NC3=O)=O	130
+Clc1cc(cc(Cl)c1OCCCCCCCCCCCC)C(Cl)=O	82
+c1(Cl)ccnc(CCl)c1	512
+Fc1ccc(cc1CCl)C#Cc2cc(C#N)cnc2	109
+c1(Nc2ccnc(n2)Nc3cccc(C(Cl)=O)c3)c(Cl)ccc4OCOc14	82
+c1(Nc2nccc(CCl)c2)nc(C)cs1	109
+c1(OC(C)=O)cc(C)cc(C(Cl)=O)c1C	82
+c1(OC)c(OC)c(cc2nc(ccc12)CCl)OC	512
+C(COc1ccnc(CCl)c1C)O	512
+C(Cl)c1c(Oc2cc(ccc2)F)cccc1	109
+C(C(Cl)=O)c1ccc([N+]([O-])=O)cc1Cl	130
+c1([N+]([O-])=O)cc2c(ncnc2cc1F)Cl	569
+c1(CCl)c(C)nccc1	447
+c1(c(c(F)c(cc1C(Cl)=O)F)Br)F	82
+c1c(I)c(c(c(CC)c1I)I)-c2ccc(C(Cl)=O)c([N+]([O-])=O)c2	82
+C(Cl)(c1c(nccc1)Nc2cc([N+]([O-])=O)ccc2)=O	1082
+c1(cc(C(Cl)=O)ccc1[N+]([O-])=O)OC	82
+c1(cc(cc2c1OCO2)CCl)OC	109
+c1c(OC)c(O)c([N+]([O-])=O)cc1C(Cl)=O	82
+c1c(C(Cl)=O)cc(C)c(OCC#C)c1OC	82
+c1cc2c(c(C(=O)Cl)c1)ccc(Oc3ccnc4c3cc(c(OC)c4)OC)c2F	82
+c1(c(CCl)cc2c(c(Cl)ccc2)n1)-c3c(cccc3)Cl	447
+c1(cccc(OCC(Cl)=O)c1)Br	130
+c1(ccccc1Cl)Oc2ccc(c(c2)CCl)OC	109
+c1(ccccc1Oc2cccc(CCl)c2OC)C	109
+c1c(F)c(c(cn1)F)N=C(c2c(cc(cc2Cl)C#N)Cl)Cl	3018
+c1(nc2c(cn1)cccc2)COc3cc(CCl)ccc3	109
+c1(nc2c(s1)cccc2)Oc3ccc4oc(cc4c3)CCl	2240
+O1COc2c(nccc12)CCl	512
+O=C(c1cc2c(s1)nccn2)Cl	2115
+c1(F)c(CCl)cc2OCOc2c1	109
+c1(C(=O)Cl)cc2c(C(=O)c3c(O2)cccc3)cc1	82
+C(c1c(c2c(c(Cl)ccc2)nc1)O)(Cl)=O	1082
+c1(oc2cccc(c2n1)C#N)Cl	4645
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(C(Cl)=O)cc4C	82
+c12cc(ccc1cc(CCl)cc2)C	109
+c1nc(cc2ccccc12)C(Cl)C	4646
+c1ccc2c(c1)nc3c(cccc3)c2C(=O)Cl	82
+c1c(Br)c(OC(C(Cl)=O)CCC)ccc1	130
+C(c1c(OC(=O)OCC)cccc1)(Cl)=O	82
+C(Cl)(c1cccc(F)c1C)=O	82
+c1c2c(ccc1)c(C)ccc2C(Cl)=O	82
+c1c(C(=O)Cl)cc(cc1)C#C	82
+O=S(=O)(c1c(cc(cc1C)OCC(=O)Cl)C)Cl	130
+C(Cl)(=O)c1c2c(ccc1)Sc3ccc(cc3C2=O)C	82
+c1ccc(OCCOC)c(OC)c1CCl	109
+c1c(CCl)c2c(ccc(OC)c2)cc1	109
+c1(ccc2nc(nn2c1)Br)CCl	447
+Clc1cc(cc(Cl)c1C(Cl)=O)Cl	82
+c1c(Cl)c(c(cc1Cl)Cl)CCl	109
+Oc1c(cc(Cl)cc1[N+](=O)[O-])C(c2cc(Cl)cc([N+](=O)[O-])c2O)Cl	1440
+Fc1cc(cc(F)c1CC(Cl)=O)Br	130
+c1c(OC(C)=O)c(C)c(C(Cl)=O)c(C)c1	82
+c1c(OC)c(OC)ccc1CCN(CCCl)C	221
+COc1cc(cc(OC)c1Cl)-c2cc(CCl)ccn2	109
+c1cccc(C2(Cl)c3c(ccc(c3)C#N)NC2=O)c1OC	8979
+c1c(OC)c(c(c(F)c1)F)CCl	109
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(n2)CCC(Cl)=O)Cl)OC	130
+c1c(c2c(c3n(nc(n3)CCl)c(n2)N)cc1)COC	2176
+c1c(cc(cc1)CCl)OC(C)C(OC)=O	109
+c1c(cc(CC(Cl)=O)c(C)c1)Br	130
+c1c(cc(C(Cl)=O)c(Cl)c1)Br	82
+c1c(cc(c(c1)Cc2c(nn(-c3c(Cl)ccc([N+]([O-])=O)c3)c2C(Cl)=O)CCCC)F)Br	1077
+c1c(ccc(-c2c(cno2)CCl)c1F)F	1703
+c1c(nc(c(C)c1)CCl)C#N	512
+c1cccc2C(=O)N(C(=O)c12)CC(=O)Cl	130
+c1c2C=C(C(=O)Cl)CCOc2ccc1	3019
+c1(oc2c(ccc(c2)O)n1)Cl	4645
+c1cc(c(cc1I)CCl)Br	109
+c1(ccc(C)nc1)CCl	447
+c1cc(cc([N+]([O-])=O)c1OCC)CCl	109
+c1cc(CCl)cc(c1OC)C#N	109
+c1cc(ncc1Br)CCl	512
+c1cc(Cl)c(c(Cl)c1OC(C)C(Cl)=O)C	130
+C(Cl)(=O)c1cc(ccc1[N+]([O-])=O)F	82
+COc1c(C(Cl)=O)c(ccc1)CCCCCCCCCCCCCCC	82
+c1cc(cc(c1OCC#C)OC)CCC(Cl)=O	130
+c1cc(ccc1)-c2c(F)cc(cc2)-c3nc(Cl)c4cc(c(cc4n3)OC)OC(C)=O	569
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Cl)=O)n2	82
+c1cc(ccc1)-c2ccc(c(C(Cl)=O)n2)C	1077
+c1cc(ccc1)-c2nc(c3CN(C)CCCn23)C(=O)Cl	8980
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CCl	109
+c1cc(ccc1)C(Nc2ccc(c3ccccc23)S(=O)(=O)Cl)=O	895
+c1cc(ccc1)C(Oc2cc(C(Cl)=O)ccc2OC)=O	82
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)SC=Cc4c(CCl)ncs4	8981
+c1ccccc1C2=C(CN(C(=O)C)CC2)CCl	8982
+c1cc(ccc1)C2=CN(CCCCl)C(=O)c3ccccc23	221
+c1cc(ccc1C(Cl)Cc2ccccc2)CCCC(=O)OC	525
+c1cc(ccc1)CN2CCC(C2)CCl	221
+c1ccccc1COc2cc(OCc3ccccc3)c(C(Cl)=O)cc2Br	82
+c1ccccc1COc2c(ccc(OCc3ccccc3)c2)CCl	109
+c1cc(ccc1)COc2ccc(C=CC(Cl)=O)cc2OC	3020
+c1cc(ccc1)Oc2c(c(NCCCCCCl)c(c(n2)C)C)[N+]([O-])=O	221
+c1cc(ccc1Cl)-c2ccc(C)c(c2)CC(=O)Cl	130
+c1cc(ccc1C(Cl)C)-c2ccc(cc2)Cl	525
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)Cl	8983
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)OCC(Cl)=O	130
+c1ccccc1-c2ccc(cc2)-c3nocc3CCl	1703
+c1cc(ccc1CCl)-c2sc3c(nccc3Oc4ccc([N+]([O-])=O)cc4F)c2	109
+c1cc(ccc1-n2c(ncc2C(C)(C)c3ccc(Cl)c(Cl)c3)CCl)F	2176
+c1cc(ccc1C#Cc2cc(F)ccc2)C(=O)Cl	82
+c1cc(ccc1C#N)CC(NC2CCN(CC2)C(CCl)C)=O	221
+c1cc(ccc1C(=CC(=O)Cl)c2ccccc2)[N+](=O)[O-]	3020
+c1cc(ccc1CC(C)=O)C(=O)Cl	82
+c1cc(ccc1OC(=O)C)C(Cl)=O	82
+c1cc(ccc1C(Cl)=O)OCCCCCC	82
+c1cc(ccc1C(Cl)=O)Oc2cc(N3N=C(N(C3=O)C(F)F)C)c(F)cc2Cl	82
+c1cc(ccc1C(C(C)C)C(Cl)=O)N=[N+]=[N-]	130
+c1cc(ccc1C(c2cnccc2)CCCCCl)F	221
+c1cc(ccc1-c2ccc(cc2)C(Cl)=O)OCCCCl	82
+c1cc(ccc1-c2ocnc2C)C(=O)Cl	82
+c1cc(ccc1C(=O)Cl)C2(SC(=NC(c3ccc(cc3)F)C)NC2=O)C	82
+c1cc(ccc1C(=O)Cl)NC(c2c(C)cccc2)=O	82
+c1cc(ccc1F)C(c2ccc(cc2)F)(C(=O)Cl)CCCBr	130
+c1cc(ccc1C(c2ccccc2)=O)C(Cl)=O	82
+c1cc(ccc1C=CC(Cl)=O)C	3020
+c1cc(ccc1C)S(=O)(=O)Oc2c(ccc(CCl)c2)OC	109
+C1CC(CCC1c2ccc(cc2)C(Cl)=O)CCC	82
+c1cc(ccc1C)C=C(C)CCl	8984
+c1cc(ccc1C=CCCl)C#Cc2ncc(cc2)-c3ccc(cc3)Cl	8985
+c1cc(ccc1C(Cl)=O)C=O	82
+c1cc(ccc1C(C)Cl)CC=C(C)C	525
+c1cc(ccc1CCC(=O)Cl)OCC=C	130
+c1cc(ccc1CCC)OC(C)C(Cl)=O	130
+c1cc(ccc1CCCCOCCCCBr)C(=O)Cl	82
+c1cc(ccc1CCCl)-n2c3c(c(C)cc(C)n3)nc2CC	221
+c1cc(ccc1CCS(=O)(=O)Cl)Br	1439
+c1cc(ccc1CN2C(C(=C(C(=C2)CCl)C(=O)OC)Cl)=O)OC	8986
+c1cc(ccc1CCl)-c2[nH]c3ncnc(NCc4ccc(nc4)OC)c3c2	109
+c1cc(ccc1CCl)-c2occ(n2)C(=O)OCC	109
+c1cc(ccc1OC(C)C(=O)OC)CCl	109
+c1cc(ccc1CCl)Sc2c(O)nc(nc2C)N	109
+c1cc(ccc1Cc2c(C)nc(N)nc2NCCCCC)CCl	109
+c1cc(ccc1OCCCCl)Cc2c(NCCCCC)nc(N)nc2C	221
+c1cc(ccc1Cc2c(OCc3ccccc3)cccc2)CCl	109
+c1cc(ccc1Cl)-c2c(cncc2)CCl	447
+c1cc(ccc1Cl)-c2cncc(CCl)c2	447
+c1cc(ccc1-n2c(c(C(=O)Cl)cn2)C)Cl	3017
+c1cc(ccc1Cl)C(=O)c2cccc(c2C)C(Cl)=O	82
+c1cc(ccc1C(Cl)c2ccc3c(c2)c(cc(n3)O)-n4ccnc4)Cl	1440
+c1cc(ccc1Cl)C(Cl)c2ccccc2Cl	1440
+c1cc(ccc1Cl)C(Cl)c2cccc(c2)Br	1440
+c1cc(ccc1Cn2nc(cc2-c3cc(C)c(Cl)cc3)C(Cl)=O)C	1077
+c1cc(ccc1F)-c2ccc(c(C)n2)CCl	447
+c1cc(ccc1F)-n2nc(c(OCC)c2)C(=O)Cl	1077
+c1cc(ccc1F)C(=O)c2cncc(CCl)c2	447
+c1cc(ccc1I)-n2cc(nc2)CCl	3221
+c1cc(ccc1CC(Cl)=O)I	130
+c1cc(ccc1N2C=CC=CC2=O)C(=O)Cl	82
+c1ccccc1COc2ccc(cc2)N3C(CC(CCl)C3)=O	221
+c1cc(ccc1Nc2ncc(cn2)CCl)Cl	4644
+c1cc(ccc1OC(=O)C)C=C(C)C(Cl)=O	3019
+c1cc(ccc1C(Cl)=O)OCC#CC	82
+c1cc(ccc1C=O)OCC(Cl)c2ncc(cc2)CC	4646
+c1cc(ccc1OCC)CC(Cl)=O	130
+c1cc(ccc1C(Cl)=O)-c2ccc(cc2)OCCCCCCCCCC	82
+c1cc(ccc1OCCc2ncc(CCl)cc2)[N+]([O-])=O	447
+c1cc(ccc1OCc2csc(-c3ccccc3)n2)CCl	109
+c1cc(ccc1Oc2c(CCl)cc(cc2)C)C	109
+c1cc(ccc1S(=O)(=O)n2c3nccc(CCl)c3cc2-c4c5c(n(C)c4)cc(c(OC)c5)OC)C	109
+c1cc(ccc1SC)CC(Cl)=O	130
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(=O)Cl	130
+c1cc(ccn1)OCCOc2cc3ncnc(Cl)c3cc2OC	569
+C1(Cl)CCOc2cc(ccc12)F	525
+c1cc2c(cc(cn2)C#N)cc1CCl	109
+c1cc2c(cccc2)nc1COc3cc(CCl)ccc3	109
+c1ccc2c(C(=O)N(C2=O)C(C(=O)OC)(CC(Cl)=O)CF)c1	130
+c1ccc2c(c1)cc3c(cccc3)c2C(=O)Cl	82
+c1cccc2C=Cc3ccccc3C(c12)Cl	1440
+c1ccccc1-c2cn(-c3ccc4nc(c(cc4c3)Cc5ccccc5)Oc6c(C(Cl)C)cc(F)cc6)nn2	525
+c1cc(ccc1C(Cl)c2ccccc2)Cl	1440
+c1ccccc1C(c2ccccc2)=C(C#N)C(=O)Cl	3019
+c1ccccc1C2(c3ccccc3)C(N(CC)CC2CCCl)=O	221
+c1ccccc1CC(NCCc2c3c(ccc2)ccc(c3)C(=O)Cl)=O	82
+c1ccccc1CCN2C3CC(CC2CC3)=C(c4ccccc4)c5ccc(cc5)C(Cl)=O	82
+c1ccccc1CCOc2c(CCCCCl)cc(cc2)Cl	221
+c1ccccc1CCOc2c(cc(cc2)Cl)CCCCl	221
+c1ccccc1COC(NCCS(=O)(=O)Cl)=O	1439
+c1ccccc1COc2c(c(OC)cc(n2)C)CCl	447
+c1ccccc1COc2cc(F)cc(c2OC)CCl	109
+c1ccccc1COc2cc(F)c(cc2)C(Cl)=O	82
+c1ccccc1COc2cc3c(C(N(CC(C)C)C(=C3c4ccccc4F)CCl)=O)cc2	8987
+c1ccccc1COc2cc3C(=C(N(CC(C)C)C(c3cc2)=O)CCl)OCCCC	3750
+c1ccccc1COc2ccc(cc2)CCCCCCCS(=O)(=O)Cl	1439
+c1ccccc1COc2ccc(C(=O)Cl)cc2Cl	82
+c1ccccc1COc2ccc(CCl)cc2[N+]([O-])=O	109
+c1ccccc1COc2c(cccc2)CCl	109
+c1ccccc1OCCCCC(CCl)C	221
+c1ccccc1Oc2ccccc2Cn3nc(C(Cl)=O)cc3	1077
+c1ccccc1Oc2cc3C(C=C(C(=O)Cl)Oc3cc2NS(=O)(=O)C)=O	8988
+c1ccccc1Oc2cccc(Oc3ccccc3)c2C(Cl)=O	82
+c1ccccc1Sc2c(cc(Br)cc2)CCl	109
+c1ccccc1Sc2ccc(F)cc2CCl	109
+c1cccn1-c2cc(ncc2)CCl	512
+c1n2c(nc1)ccc(CCl)n2	512
+c1nn(c2c1C(CCCl)CCC2)-c3cc(c(cc3)Cl)Cl	221
+c1c(ccc2n(c(nc12)CN(CCC)C(c3c(F)ccc(F)c3)=O)CCC)CCl	109
+n1[nH]c2c(C(N(C(=O)N2CCCl)CCCC)=O)c1NC	221
+n1c(Br)ccc(c1)C2N(c3c(Cl)cccc3)N=C(C2)C(=O)Cl	3586
+ClC(COc1nc(c(Cl)cc1Cl)F)=O	130
+n1c2c(n(CCCCCl)c1)cccc2	221
+n1onc2cc(C(=O)Cl)ccc12	82
+o1c(c(c2c1ccc(Br)c2OC)C)CCl	2240
+o1c2c(cc(cc2)C(=O)OC)c(c1CCl)C	2240
+s1c2cc(ccc2cc1CCl)Oc3sc4c(nccc4)n3	3016
+c1(C(=O)O)cncc(-c2sc(Cl)nc2)c1	8989
+c1(C=O)c(Cl)[nH]c(-c2cccnc2)n1	614
+c1(nc(-n2c3ccccc3nc2Cl)nc(Cl)n1)C	4647
+C1COC2(O1)CCN(CC2)c3nc4ccccc4[nH]3	2071
+c1cc(ccc1)C(c2ccccc2)(O)C3CCN(CC3)c4nc5c(cccc5)[nH]4	2071
+c12n(c(nc1cccc2)Cl)-c3ncnc(Cl)c3	4648
+O=Cc1ncc(-c2c(Cl)cc(cn2)C(=O)OC)cc1	501
+c12ccccc1n(cc2C(=NO)C)-c3c(Cl)cc(C(=O)N)cc3	1375
+c1cc(ccc1)C(NC(=O)Nc2cc(Cl)c(c(COC)n2)C#N)C	2077
+N#Cc1cnc2c(ccs2)c1Cl	1014
+c1cc(ccc1)NCC(Nc2cccc(Cl)c2C(O)=O)=O	4649
+c1cc(ccc1OCC)C(=O)c2cc(c3c(c2Cl)CC(O3)C)Br	358
+c1ccccc1CONC(=O)c2c(nc(Cl)c(F)c2)Cl	1546
+Clc1cc(c(-c2c(C(=O)OC)cncc2)cc1)F	699
+Clc1c(c(F)ccc1)C(C)CO	88
+c1ccccc1NC(=O)c2c(Cl)cccc2C	50
+FC(F)(F)C(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)(CNC(=O)c3c(cccc3F)Cl)O	93
+c1(c(ccnc1Cl)NC(=O)c2c(Cl)cccc2F)F	50
+c1cc(ccc1F)S(=O)(=O)N2c3cc(c(C)cc3CCC2)NC(c4c(F)cccc4Cl)=O	50
+c1(Cl)c(cc(F)c(C)n1)C(=O)OC	4650
+c1cc(ccc1N=C(c2cc(Cl)c(C)cc2)N)S(=O)(=O)C	1748
+FC(F)C(=O)CC(c1ccc(C)c(Cl)c1)=O	2201
+Clc1c(CC)c(F)ccc1	1393
+c1(ccc(F)c(CC)c1Cl)C(=O)C	94
+S(c1[nH]c2c(n1)ccnc2)Cc3c(F)cccc3Cl	8990
+Clc1c(COc2cccnc2N)c(Cl)c(F)cc1	161
+c1cc(ccc1C2CC(N(CC(Oc3c(Cl)c(Cl)c(c(Cl)c3Cl)Cl)=O)C2)=O)Cl	2850
+NCCNc1c([N+](=O)[O-])cc(Cl)c(Cl)c1	205
+c1cc(ccc1)C(c2ccccc2)N3CCN(CC3)CCCNc4cc(Cl)c(cc4[N+]([O-])=O)Cl	53
+c12cc(Cl)c(Cl)cc1OCC(=O)N2	1290
+c1cnc(Cl)c(Cl)c1I	916
+c1cc(ccc1-c2c(cccn2)Cl)C(O)=O	140
+c1c(CCCO)c(F)c(Cl)cc1	213
+c1cc(ccc1OC)C(c2c(c(ccc2)Cl)F)=O	705
+O=Cc1cc(F)c(Cl)cc1O	502
+O=S(=O)(Nc1ncc(cc1)F)c2ccc(Oc3cc(Cl)c(F)nc3)c(C#N)c2	551
+O=S(=O)(c1c(ccc(NC(=O)Nc2c(cccc2)Cl)c1O)Cl)NCC	124
+c1cnccc1-c2c(-c3cccc(NC(=O)Nc4c(Cl)cccc4)c3)cn(CC)n2	124
+c1(I)c(OC)c(Cl)cc(c1)C(=O)OC	297
+c1cc(ccc1CN2C=C(C=C(Cl)C2=O)[N+](=O)[O-])OC	8991
+c1(cc(c(Cl)cc1Cl)OC)CC(O)=O	459
+OC(c1cc(Cl)c(SC)nc1)C	652
+Nc1cccc(Cl)c1SCCCCl	0
+Nc1c2c(ccc1Cl)nc(C)cc2	0
+Nc1c(Cl)ccc(C#N)c1	0
+FC(F)(F)CCCNc1ccc(cc1[N+](=O)[O-])C#N	205
+c1cc(ccc1)-c2c([N+](=O)[O-])cc(C#N)cc2	667
+Nc1ccc(C(=O)c2ccccn2)cc1[N+]([O-])=O	4651
+c1cc(ccc1Nc2sc(C(c3ccc(c([N+]([O-])=O)c3)Cl)=O)c(N)n2)N4CCN(CC4)C	4652
+Clc1c([N+]([O-])=O)cc(C)c(c1)C(=O)O	4653
+Nc1cc(OCC(OC)=O)ccc1Cl	0
+c1(Cl)cc(NC(c2ccc(c(Cl)c2)Cl)=O)c(cc1N)O	0
+Nc1c(Cl)cc(O)c(F)c1	0
+c1([N+]([O-])=O)cc(ccc1NC)C(=O)OC	205
+COc1cc(c(F)cc1)-c2c([N+]([O-])=O)cc(cc2)C(=O)OC	667
+c1cc(ccc1Br)C(C)Oc2ccc(c(c2)[N+]([O-])=O)Cl	8992
+Nc1cc2CN(C(c2cc1Cl)=O)C	0
+c1(I)c(nccc1Cl)NN	383
+FC(F)(F)c1c(Cl)nccc1OCC(c2c(cccc2Cl)F)C	260
+FC(F)(F)CCN1CC(N(Cc2c(cccc2F)Cl)c3ccc(C#N)c(c3)Cl)CC1	507
+Brc1nc2c(C(N(C(=O)N2C)C)=O)n1Cc3c(F)cccc3Cl	371
+C1CC1NS(=O)(=O)c2c(ccc(NC(=O)Nc3c(Cl)c(ccc3)Cl)c2O)Cl	124
+c1ccccc1-c2c(c([N+]([O-])=O)ccc2)F	667
+C(c1cccc(Cl)c1C)(=O)OC	4654
+c1c2c(CCC(C)N2)c(c(Cl)c1)Cl	2648
+Nc1c2cc(C)n(C(=O)OC)c2ccc1Cl	0
+O=Cc1cc(-n2nccc2)ccc1Cl	760
+C1CC1c2c(nc(c(C#N)c2)Cl)Cl	8993
+Ic1c(C#N)c(Cl)nc(Cl)c1F	916
+c1(nc(C)ccc1C(=O)O)N	664
+c1(C(NCC(CC)O)=O)ccc(C)nc1Cl	56
+FC(F)(F)S(=O)(=O)Nc1ccc(cc1Oc2c(Cl)cc(cc2)Cl)Cl	1422
+c1c(-c2ccc(cc2Cl)O)c(ccc1)F	11
+c1nc(ncc1COC)N2CCC(CC2)C3C(CCOc4ccc(c(Cl)c4)Br)C3	20
+O=S(=O)(NC(=O)c1c(cc(COc2cc(c(C#N)cc2)Cl)c(F)c1)F)N(C)C	22
+C(O)c1ccc(O)cc1Cl	49
+Clc1c(ccc(C(=O)C)c1)Br	1024
+c1([N+]([O-])=O)ccc(Cl)c(c1)CC(=O)O	77
+Clc1cc(ccc1)Nc2nccc(-c3cccnc3Cl)n2	55
+FC(F)(F)c1c(cc(cc1)C(=O)OCC)Nc2c(-c3ccncn3)cccn2	201
+FC(F)(F)Oc1cc(c(O)cc1)NC(=O)c2c(cncc2)Cl	67
+c1cc(ncc1CO)NCc2ccncc2Cl	295
+O(c1c(c(cc(c1OC)OC)C)C(c2c(c(Br)cnc2OC)Cl)=O)C	814
+c1cccc2CCc3ccncc3C(NC(NNc4c(cc(C(O)=O)cn4)Cl)=S)c12	8994
+FC(F)(F)COc1cc(Cl)c(C(C)=O)nc1	4655
+O=S(=O)(C)OCC1Cc2cccc(Cl)c2O1	7
+C(c1c2cccc(Cl)c2oc1)C#N	8995
+c1cc(ccc1)Oc2cc(C)nc3C(CCCc23)O	242
+c1(ccc(Cl)c(-c2ncnc3c(Cl)cccc23)c1)OC	198
+Clc1c2CCNCCc2cc3c1NC(=O)CC3	215
+[N-]=[N+]=Nc1cc(nc2c(ccc(F)c12)F)C	1756
+c12CCNCCc1cccc2Cl	2436
+O=S(=O)(C)c1ccc(cc1)Oc2cc(-c3c4c(c(N)n[nH]4)ccc3)nc5n(ncc25)C	8996
+c1c(c(cc(c1)CNc2c3ccccc3nc4CN(C(=O)c24)CC)Cl)OC	105
+C(c1cc(Cl)c2c(nccc2)c1N3CC(CC3)F)(N)C	474
+C(c1cc(Cl)c2c(nccc2)c1N3CC(CC3)O)(N)C	474
+Clc1c2c(nccc2)c(c(C(=O)C)c1)N3CC(CC3)O	1024
+c1ccccc1Nc2c3c([nH]c4CCNCc34)ncc2	698
+c1(cc2ncc(c(Nc3cccc(c3)N)c2cc1OC)C#N)OC	179
+c1cc(ccc1)S(=O)(=O)n2ccc3c2ncc(c3Cl)Br	276
+C1(=CC(C(=O)OC)=C(c2cc(F)ccc2)[N+](C1=C=[N-])=O)Cl	8997
+FC(F)(F)Oc1cc(cc(-c2n(nc(C(=O)N3CNC(=O)C3)c2)-c4cncc(c4)Cl)c1)Br	8998
+FC(F)(F)Oc1cc(cc(c1)Br)-c2cc(C(O)=O)nn2-c3cncc(c3)Cl	8999
+Clc1cc(-c2cc3[nH]c(NC(c4nc5cccc(Cl)n5c4)=O)nc3cc2)cc(c1)F	4021
+Clc1cccc(-c2sc(cc2Br)C(=O)OCC)c1	1191
+Clc1cc(-n2c3c(cc(OC)cc3)cc2)c(NCC(=O)O)cc1	3
+Clc1cc(c(N)c(N)c1)Br	0
+Clc1cc(Br)c(OC)c(N)c1	0
+Clc1cc(c(cc1)CC[N+](=O)[O-])Br	364
+FC(F)Oc1c(Br)cc(Cl)cc1	824
+N#Cc1c(Br)cc(Cl)cn1	942
+Clc1cc(c2[nH]ccc2c1)C(=O)O	9000
+c1(cc(c(c(Cl)c1)Cl)Br)OC	9001
+Clc1cc(Br)cc(OCC(CNC)O)c1	122
+Clc1cc(Br)cc(Oc2c3c[nH]nc3ccc2Cl)c1	9002
+Clc1cc(Br)cc(Oc2c3c([nH]cn3)ccc2Cl)c1	631
+Clc1cc(Br)cc(Oc2c(Cl)ccc(N)c2N)c1	0
+Clc1cc(Br)cc(Oc2c(N)c(OC)ncc2COCC)c1	382
+Clc1cc(C#N)cc(Oc2c(N)c(OC)ncc2CO)c1	160
+Clc1cc(Br)cc(Oc2c(N)c(OC)ncc2CO)c1	665
+Clc1cc(Br)cc(Oc2c(ccnc2O)C)c1	3021
+Clc1cc(Br)cc(Oc2c(ccnc2NN)C)c1	383
+Clc1cc(C#N)cc(Oc2c3c([nH]cn3)ccc2Cl)c1	160
+Clc1cc(C#N)cc(Oc2c3c[nH]nc3ccc2Cl)c1	160
+c1cc(ccc1CNc2c([N+](=O)[O-])cnc(Br)c2)OC	105
+Clc1cc(c(cc1)-n2ncnc2)C#N	9003
+n1(-c2cc(C#N)c(cc2)[N+]([O-])=O)ccnc1	2067
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(CN)c2F)c1	1551
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(c2F)CNC(c3cc4c(c(C)ccc4)[nH]3)=O)c1	81
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(c2F)CNC(c3cc4cc(ccc4[nH]3)OCCSC)=O)c1	81
+Clc1cc(C#N)cc(Oc2c(c(C)ccc2N)F)c1	0
+Clc1cc(C#N)cc(Oc2c3c(Cl)n[nH]c3ccc2Cl)c1	2209
+Clc1cc(C#N)cc(c1)OC2=C(C)C=CN(CCc3n[nH]c4ncccc34)C2=O	1002
+Clc1cc(ccc1-n2cc(C(C)=O)c3ccccc23)C#N	1995
+c1c(c(Nc2cc(C#N)ccc2[N+]([O-])=O)ccc1F)F	1370
+c1c(C#N)c(Cl)cc(C(=O)C)c1O	160
+c1(I)c(c(C(=O)C)cc(Cl)c1C)O	235
+Clc1cc2c(N=C(c3cc(nn3-c4ncccc4Cl)Cl)OC2=O)c(C)c1	2241
+Clc1cc2c(N=C(c3n(nc(Br)c3)-c4ncccc4Cl)OC2=O)c(C)c1	4656
+Clc1cc(CO)cc(OC)c1	49
+Clc1cc(C(=O)OC)c(c(N)c1)C	0
+Clc1ccc(-c2nc(C)no2)c(CO)c1	98
+c1cc(ccc1CC2(C(C)(C)CN(CC2)CCCOc3c(cc(cc3)Cl)C(OC)=O)O)Cl	28
+FC(F)(F)S(=O)(=O)Nc1c(cc(cc1)Cl)C(=O)CC	1422
+Clc1cc(C(CC)=O)c(N)cc1	0
+c1(cc(Cl)c(cc1)C#N)C(NC(=O)c2cc(n3CCOCc23)C(=O)N4C(C)CCC4)CC	56
+Clc1ccc(OC)c(-c2oc(nc2)CCCCC(OC)=O)c1	4657
+FC(F)(F)c1cc(-c2ncc(nc2)NC(c3c(ccc(Cl)c3)[N+](=O)[O-])=O)ccc1	1542
+Clc1ccc(c(C(Nc2ncc(-c3cc(C)c(cc3)C)nc2)=O)c1)[N+]([O-])=O	1542
+Clc1ccc(c(C(Nc2nn(cc2)-c3ccc(c(C)c3)C)=O)c1)[N+]([O-])=O	330
+O=S(=O)(CC)NC1c2cc(Cl)cc(C)c2OCCC1	111
+Clc1cc(C2CC(c3cc(ccc3O2)O)O)ccc1	74
+Clc1cc(ccc1)C2Oc3c(CC2)cc(cc3)O	414
+O=S(=O)(C)N1c2c(C(c3cccc(Cl)c3)C1)cccc2	1632
+c1ccc2ccc(nc2c1)COCCCCOCc3cc(cc(C)c3OCC#N)Cl	149
+Clc1cc(cc(CC#N)c1)O	5
+C(c1cc(Cl)cc(I)c1O)n2nc(cc2C)C(=O)OCC	2202
+C1CC(CCC1Nc2cc(Cl)cc[n+]2[O-])NCc3ccccc3	1911
+c1cc(ccc1)CNC2CCC(CC2)CNc3[n+]([O-])cc(C)c(Cl)c3	1911
+Clc1cc(Cl)c(N2CCCn3c4c(CO)ccc(Cl)c4nc23)cc1	295
+Clc1cc(Cl)c(N2CCCn3c4c(c(Cl)ccc4C=O)nc23)cc1	200
+FC(F)(F)C(O)c1c2c(nc3N(CCCn23)c4c(Cl)cc(Cl)cc4)c(cc1)Cl	4658
+FC(F)(F)c1c2c(n(c(n2)Oc3c(C)cc(Cl)cc3Cl)C)c(C(CC)CC)cc1	2200
+Clc1cc(N)c(OC)c(Cl)c1	0
+O=S(=O)(C)NC1C(CCCC1)N2C(c3c(cccc3)C(C(=O)OCC)C2c4ccc(cc4Cl)Cl)=O	111
+[N+](=[N-])=Nc1cc(Cl)nc(C(=O)OC)c1Br	1756
+c1cc(ccc1)C#Cc2nc(cc(Cl)c2)N	2351
+Clc1cc(Cl)[n+](cc1)[O-]	103
+Clc1c(c(Cl)ncc1)I	625
+c1(ccnc(c1)Cl)Oc2cc(F)c(N)cc2	242
+c1(c(c(c(cc1)Oc2ccnc(c2)Cl)F)F)N	242
+Fc1cc(cc(F)c1Oc2cc(ncc2)Cl)N	242
+c1ccccc1-c2cc(Cl)ccn2	140
+Clc1cc(c(cc1)CN2C(=O)C=CC(Br)=C2)F	4659
+c1cc(ccc1Oc2ccc(cc2)CN(c3cccc([N+](=O)[O-])c3C)Cc4ccc(cc4F)Cl)CCC(OC)=O	507
+Clc1cc(c(cc1)C2=CC(=O)n3c(N2)c(cn3)-c4ncccc4)F	1915
+c1c(ccc(F)c1Cl)NC=O	9004
+c1cc(ccc1C(C)C(=O)Nc2c(C(=O)OC)c(cc(Cl)c2)Cl)[N+]([O-])=O	33
+Clc1cc(N)c(cc1)C=O	39
+Clc1ccc2c(NC(N2C3CC(C)N(CC3)C(=O)OC)=O)c1	1595
+Clc1cc(N)c(CO)cc1	49
+Clc1ccc2c(c1)nc(nc2)O	4660
+FC(F)(F)c1nn(c2c1CCN(C(OC(C)(C)C)=O)C2)CC(Nc3c(OC)ccc(Cl)c3)=O	33
+O=S(=O)(Nc1c(ccc(c1)Cl)SCc2cn(cn2)CCC)c3oc4c(c3)cccc4	2686
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3cc(c(cc3)[N+]([O-])=O)N	202
+Nc1c(cc(I)c(Cl)c1)[N+]([O-])=O	235
+Nc1cc(SC)ccc1[N+]([O-])=O	972
+c1(NC(C)=O)cc(Cl)c(cc1C(=O)OC)[N+]([O-])=O	31
+c1c(NC(C)=O)cc(C)c(C(=O)C)c1Cl	94
+c1(cc(Cl)cc(c1NC(c2n(-c3c(Cl)cccn3)nc(Br)c2)=O)Cl)NC(=O)OC	187
+Clc1cc(NC(OC)=O)c(N)c(Cl)c1	0
+Clc1cc(Nc2c(c(n[nH]2)N)C(=O)N)ccc1	9005
+FC(F)Oc1c(cc(cc1)CNc2n[nH]c(Nc3cccc(Cl)c3)c2C#N)O	811
+Clc1cccc(Nc2c(c([nH]n2)N=Cc3cccc(OCCO)c3)C(N)=O)c1	4661
+n1cccnc1Oc2ccc(cc2)CNc3[nH]nc(c3C(=O)N)Nc4cccc(c4)Cl	811
+c1ccccc1COc2c(c(Cl)cc(Cl)c2)C=O	22
+Clc1cc(c(CO)cc1)O	49
+O=S(=O)(Oc1cc(cc(c1)OC)Cl)C	444
+c1c(I)cc(c(Nc2c([N+]([O-])=O)cnc(O)c2)c1)F	179
+Clc1cc(c(CO)cc1)OC(C)C(OC)=O	41
+Clc1cc(OC(CCCI)c2cccs2)c(Cl)cc1	363
+c1cc(ccc1C(NCCc2c(cc(Cl)cc2OC)Cl)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	14
+Clc1cc(OC)c(c(Cl)c1)CCN	157
+c1(cc2c(cc1F)[nH]c(-c3ccc(cc3OC)Cl)n2)F	1127
+Clc1cc(c(CCC#N)cc1)OC	9006
+c1(c(cc(I)c(Cl)c1)[N+]([O-])=O)OC	235
+FC(F)(F)C1CCCN(C1)c2c(cc([N+](=O)[O-])c(c2)NC)Cl	202
+FC(F)(F)C1CCN(CC1)c2cc(c([N+](=O)[O-])cc2Cl)NC	202
+c1(O)cc(Cl)c(cc1N)Cl	0
+Clc1cc(N)cc(C)c1	0
+Clc1cc(c(-c2c(cncc2)C(=O)O)cc1)F	1
+Clc1cc2c(-c3c(cncc3)C(=O)N2C)cc1	9007
+Clc1cc(c(-c2c(C(NC)=O)cncc2)cc1)F	56
+Nc1cc(Cl)c(C)cc1Br	106
+C(c1c(c(C(=O)OC)ccc1Cl)O)C=C	423
+O=S(=O)(Cc1c2[nH]cc(C(c3c(F)cc(Cl)cc3)C4CC4C#N)c2ccc1)C	2523
+Clc1cc(c(c([N+]([O-])=O)c1)C)C(=O)O	31
+Clc1cc(OC)c(cc1)-c2cc(ncc2)O	9008
+Clc1cc(c(C2CC(=O)NC(=C2C(=O)O)C)cc1)F	127
+Clc1cc(c(C2CC(=O)NC(=C2C(Nc3cc(Cl)c4n[nH]cc4c3)=O)C)cc1)F	4662
+Clc1cc(OC)c(c(Cl)c1)CC[N+](=O)[O-]	364
+Clc1cc(c(C=C[N+]([O-])=O)c(Cl)c1)OC	417
+c1cc(ccc1N2C(c3c(C2)ccc(Cl)c3)=O)C(C)C	1473
+O=S(=O)(c1cc(c(cc1)Oc2c(ccc(Cl)c2)CCC#N)Cl)C	46
+Clc1cc(c(CCC#N)cc1)O	5
+c1ccccc1COc2cc(Cl)ccc2CO	22
+Clc1cc(c(cc1)COc2ccnn2-c3nccc(C#N)c3)OC(CC)C	4663
+Clc1cc(OCCC)c(cc1)COc2ccnn2-c3nccc(C#N)c3	4663
+Clc1cc(OC(CCCCl)c2cccs2)c(Cl)cc1	20
+n1cc(cnc1N2CCC(CC2)Oc3cc(ccc3Cl)Cl)-c4nn(nn4)CC(OCC)=O	20
+Clc1ccc(I)c(CO)c1	49
+c12c(cc(Cl)cc1C(OC(=N2)c3cc(Br)nn3-c4c(Cl)cccc4)=O)Cl	4656
+Clc1cc(c2c([nH]cn2)c1)Br	631
+Clc1cc(c(cc1)-n2nnnc2)C(=O)O	1441
+Clc1cc(c(cc1)N)C(Nc2ccccc2Cl)=O	67
+Clc1cc(c(N)cc1)C(=O)c2ccccn2	9009
+O=S(=O)(Nc1c(C(OC)=O)cc(cc1)Cl)c2cccc3nsnc23	4664
+Clc1ccc(N)c(C(O)c2c(OCC)c(ccc2)OC)c1	488
+O=S(=O)(Nc1c(cc(Cl)cc1)C(=O)c2ccccn2)c3ccc(cc3)OC	69
+c1cc(ccc1S(=O)(=O)Nc2c(cc(Cl)cc2)C(=O)c3ccccn3)C4(CCOCC4)C	69
+c1cc(ccc1S(=O)(=O)C)S(=O)(=O)Nc2c(C(c3cnccc3)=O)cc(cc2)Cl	69
+c1cc(ccc1-c2cnc(C)o2)S(=O)(=O)Nc3c(C(=O)c4ccc(nc4)C)cc(cc3)Cl	69
+O=C1c2ccccc2C(=O)N1c3c(F)cc(cc3)Cl	668
+c1cc(ccc1)-c2ccc(cc2F)Cl	4665
+Clc1cc(Oc2ccc([N+]([O-])=O)cc2Cl)c(N)cc1	46
+[N+]([O-])(=O)c1c(c(Cl)c(Cl)c(Cl)c1)N	196
+c1c(c(N)cc(c1Cl)Sc2cc(C)ccc2)[N+]([O-])=O	825
+Clc1cc2c(O)nc(CCC)nc2cc1	1677
+Clc1cc(c(NCC(OCC)=O)cc1)Oc2ccc(N)cc2Cl	0
+Clc1cc(c(Nc2c3c(cc(OCCCC(=O)O)c(OC)c3)ncn2)cc1)F	3
+Clc1cc(N)c(O)c(CCc2ncccc2)c1	0
+CCOc1c(F)cc(Cl)c([N+](=O)[O-])c1Br	31
+Clc1cc([N+](=O)[O-])c(NC)cc1Cl	60
+Clc1cc([N+]([O-])=O)c(SC)cc1Cl	411
+Clc1cc(c(c(CO)c1)Cl)OC	98
+Clc1cc(c(Cl)c(CC#N)c1)OC	163
+OB(O)c1cc(cc(Cl)c1Cl)Cl	422
+c12c(ncnc1nc[nH]2)NC(C)c3c(c([N+]([O-])=O)c(c(Cl)c3)C)-c4cc(F)ccc4	2042
+Clc1cc(c(cc1)-c2cc(N)c(cc2)CC)F	0
+Clc1ccc(-n2ncnc2)c(CN)c1	107
+Clc1ccc(-n2ncnc2)c(CO)c1	611
+Clc1cc(c(cc1)-n2nnnc2)C(N(OC)C)=O	280
+Clc1ccc(c(C=O)c1)-n2nnnc2	760
+Clc1cc(OC)c(cc1)C=CC#N	858
+c1cc(ccc1C(=O)c2c(cc(OC)c(Br)c2)Cl)CC	358
+Clc1ccc2c(nc3c(c2N)C(CCC3)=O)c1	9010
+Clc1cc(c(cc1)C(N)=S)OC	581
+Clc1cc(c(cc1)C(=O)OCC)Br	9011
+c1ccccc1Nc2c(C(O)=O)ccc(Cl)c2	230
+Clc1ccc(C(=O)O)c(Nc2ccccc2Cl)c1	230
+Clc1cc(c(cc1)C(=O)N)F	169
+O1C(=O)C(C(OC1(C)C)=O)C(c2ccc(Cl)cc2F)=O	3548
+c1cc(ccc1)NCC(Nc2c(ccc(Cl)c2)C(=O)O)=O	4649
+c1ccccc1COc2c(-c3c(-c4c(C(=O)OCC)c(cc(Cl)c4)Br)cccc3)cccc2	3022
+Clc1cc(c(C(C2CC2C#N)O)cc1)F	74
+Cc1nc(sc1C(=O)OCC)-c2ccc(Cl)cc2OC	2242
+c1cc(ccc1)C=Cc2cc(ccc2C3CNC(C3)=O)Cl	722
+c1ccccc1C(=O)c2cc(ccc2C3CNC(=O)C3)Cl	2227
+c1cc(ccc1Oc2c(cc3c(OCCC3C(OCC)=O)c2)Cl)C(=O)NCCc4ccc(Cl)cc4Br	14
+Clc1cc(c(cc1)CCN)Br	157
+c1cc(ccc1OC)C=2C=CC(N(C=2)Cc3c(cc(Cl)cc3)F)=O	2243
+Clc1ccc(N)c(C(=O)c2c(c(OC)ccc2)OC)c1	335
+c1cc(ccc1)[Si](c2ccccc2)(OCC(C)(C)CNc3c(C(O)c4cccc5ccccc45)cc(cc3)Cl)C(C)(C)C	291
+Clc1cc(c(cc1)Nc2n(c3c(ccc(c3n2)Cl)C(OC)=O)CCCO)Cl	3023
+Clc1cc(Cl)c(N2CCCn3c2nc4c(ccc(c34)C(OC)=O)Cl)cc1	2393
+Clc1cc(c(cc1)O)C(=NNC(c2cc(Br)c(Cl)cc2)=O)C	2085
+CN(C)C=CC(c1c(ccc(Cl)c1)O)=O	277
+c1ccccc1COc2c(cc(Cl)cc2)C(C)=O	22
+Clc1ccc(c(OC)c1)Oc2c(Br)cc(C#N)cc2	46
+c1cc(c(COc2c(cc(cc2)Cl)OC)c(F)c1F)OC	139
+Clc1cc(C(CNC(=O)CCCCC(OC)=O)=O)c(cc1)OC	612
+c1c(c(F)c(C(=O)O)c(Cl)c1)OC	634
+Clc1cc(Cn2ccnc2)c(cc1)Oc3c4c(cccc4)ccc3	371
+c1cc(ccc1)CSCc2c(ccc(Cl)c2)Oc3c(ccc(CC(=O)OCC)c3)OC	639
+Clc1ccc(c(CO)c1)Sc2cccs2	49
+Clc1cc(-n2c3c(cc(OC)cc3)cc2)c(N)cc1	0
+c1cc(ccc1)CN2CCN(CC2)c3cc(C(O)=O)c(cc3)[N+](=O)[O-]	202
+Clc1cc(c(cc1)[N+]([O-])=O)-n2c3c(cc(OC)cc3)cc2	1995
+c1cc(ccc1)-c2ccc([N+](=O)[O-])c(F)c2	667
+c1cc(ccc1)Nc2cc(Cl)ccc2[N+]([O-])=O	275
+FC(F)(F)c1nn(-c2ncccc2Cl)c(C3=Nc4c(C(=O)O3)cc(Cl)cc4Br)c1	9012
+FC(F)C=1N=CN(Cc2ccc(cc2)OC)C(=O)C=1Oc3cc(cc(Cl)c3)C#N	9013
+Clc1cc(cc(CC#N)c1)Br	163
+Clc1cc(cc(c1)COc2cccnc2)Br	483
+C(c1cc(cc(Cl)c1)Br)C(=O)O	9014
+Clc1cc(cc(Cl)c1)-c2[nH]ncc2Cl	697
+Clc1cc(cc(Cl)c1)-c2cn(CC(O)=O)cc2C#N	4
+c1c(Cl)cc(cc1C(C)(C)C(=O)O)Cl	4
+Clc1cc(cc(Cl)c1)C(C)(C)C(=O)N(C)c2cnc(N3C(CO)CC(C3)O)cc2-c4c(Cl)cccc4	43
+Clc1cc(cc(Cl)c1)-c2ccn[nH]2	927
+Clc1cc(cc(Cl)c1)C=2CC(C(=O)O)(ON=2)CO	3
+c1(Cl)cc(cc(Cl)c1)-c2c[nH]cc2C#N	9015
+c1c(Cl)cc(cc1CCC(=O)O)Cl	159
+Clc1cc(cc(Cl)c1)C=CC#N	2368
+c1c(Cl)cc(cc1C=NO)Cl	135
+c1c(Cl)cc(cc1CNc2ccc3c(c(Cl)nnc3O)c2)Cl	250
+C1CN(CCC1CC(NCCc2cn(nn2)Cc3ccccc3)=O)C(OCc4cc(Cl)cc(Cl)c4)=O	9
+C1CC(CCN1C(OCc2cc(Cl)cc(Cl)c2)=O)NC(=O)CCCc3cnn[nH]3	9
+Clc1cc(cc(Cl)c1)Sc2nc3ncnc(N)c3[nH]2	4666
+Clc1cc(cc(Cl)c1)N2C(NC(=O)C(N)=C2N)=S	721
+c1c(Cl)cc(cc1N2c3c(nc[nH]3)C(NC2=S)=O)Cl	2725
+c1cc(ccc1-c2cc(ccc2)C#N)C3(CCN(CC3)CC4CC4)CN(C)C(Nc5cc(Cl)cc(c5)Cl)=O	134
+Clc1cc(cc(Cl)c1-n2nc3c(c(Cl)ncc3F)c2)[N+]([O-])=O	174
+c1(Cl)cc(cc(Cl)c1-n2nc3c(c(Nc4ncnc(c4)C)ncc3F)c2)[N+]([O-])=O	9016
+c1c(Cl)c(c(cc1Nc2nnc([nH]2)OC)Cl)Br	9017
+c1c(Cl)c(c(cc1Nc2nnc(N)[nH]2)Cl)C#N	3024
+c1c(Cl)c(c(cc1N2N=CC(NC2=O)=O)Cl)C(C(c3ccccc3)=O)c4ccc(cc4)Cl	94
+Clc1cc(cc(Cl)c1C(=O)Nc2cc(Cl)ncc2F)Cl	50
+Clc1cc(cc(Cl)c1C)N	0
+c1c(Cl)c(c(cc1N)Cl)C2CC2	0
+Clc1cc(cc(Cl)c1CCC(N(OC)C(c2cn(nc2C(F)F)C)=O)C)Cl	3025
+Clc1cc(cc(Cl)c1CCCC(C)=O)Cl	9018
+c1(cc(cc(Cl)c1CCCC(C)N)Cl)Cl	316
+FC(F)c1c(cn(C)n1)C(N(CCCc2c(Cl)cc(cc2Cl)Cl)OC)=O	3025
+C1CCCCC1C2C(N(Cc3c(cc(cc3Cl)O)Cl)CC2)=O	5
+C1CC2(CCC1)C(N(Cc3c(cc(cc3Cl)O)Cl)CC2)=O	16
+c1c(Cl)c(c(cc1CN=[N+]=[N-])Cl)Cl	925
+c1(Cl)cc(cc(Cl)c1Sc2nc3c(ccc(C#N)c3)s2)[N+]([O-])=O	9019
+c1(Cl)cc(cc(Cl)c1Sc2ccc3ccccc3c2)[N+](=O)[O-]	825
+Clc1cc(cc(Cl)c1Oc2cnc3c(C(=O)OC)cccc3c2)[N+](=O)[O-]	9020
+c1(cc(cc(Cl)c1N=Cc2c(c(Cl)cnc2)N=[N+]=[N-])C#N)Cl	3026
+Clc1cc(cc(Cl)c1N2NC(=C3C(=O)N=C(N=C23)Cc4cc(O)ccc4)C(C)C)Cl	5
+c1(cc(cc(Cl)c1-n2nc3ccncc3c2)F)Cl	3027
+Clc1cc(cc(Cl)c1Nc2nc3ccc(Br)cc3c4c2ccnc4O)-c5ccn[nH]5	104
+Clc1cc(cc(Cl)c1Nc2nc3ccncc3c4c2ccnc4O)C(C)(C)O	1033
+Clc1cc(cc(Cl)c1Nc2nc3cc[n+](cc3c4c(nccc24)O)[O-])C(C)(C)O	103
+c1c(Cl)c(c(cc1C)Cl)Oc2ccc(cc2)[N+]([O-])=O	46
+FC(F)(F)CCOc1c(cc(cc1Cl)F)Cl	8
+Clc1cc(cc(Cl)c1OCCCCOCC=O)OCC=C(Cl)Cl	598
+Clc1cc(cc(Cl)c1Oc2cc(c(cc2)O)C=O)N3C(=O)NC(C=N3)=O	5
+CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)CC(O)=O)nnc1O	3028
+c1c(Cl)c(c(cc1CO)Cl)Oc2cc3c(C(C)C)c[nH]c3cc2	41
+c1c(Cl)c(c(cc1N)Cl)Oc2cc3cc(ccc3nc2)C(=O)OC	0
+Clc1cc(cc(Cl)c1Oc2ccc(c(NS(=O)(=O)c3ccc(cc3)F)c2)O)N4C(=O)NC(C=N4)=O	5
+Clc1cc(cc(Cl)c1Oc2ccc(c(c2)N)OC)N3C(=O)NC(C=N3)=O	0
+Clc1cc(cc(Cl)c1Oc2ccc(c(NS(=O)(=O)c3ccc(cc3)F)c2)OC)N4C(=O)NC(C=N4)=O	69
+c1c(Cl)c(c(cc1N)Cl)Oc2cnc3c(C(=O)OC)cccc3c2	0
+c1c(Cl)c(c(cc1N2C(=O)NC(C=N2)=O)Cl)Sc3cc(C(C)C)c(O)nn3	9021
+FC(F)(F)c1cc(c(cc1)S(=O)(=O)Nc2cc(Cl)c(c(c2)Cl)Sc3ccc4ccccc4c3)Cl	69
+c1c(Cl)nc(cc1C(N(OC)C)=O)Cl	280
+c1c(Cl)nc(cc1C(=O)N2CCOc3ccncc23)Cl	3002
+c1cc(ccc1)COc2nc(cc(C(=O)O)c2)Cl	91
+FC(F)(F)Oc1ccc(cc1)Nc2cc(N3CCCC3)cc(n2)Cl	201
+Clc1cc(CC#N)cc(OC)c1	177
+Clc1cc(Br)cc(OCC2CO2)c1	72
+Clc1cc(Br)cc(Oc2c(Cl)cccc2[N+]([O-])=O)c1	415
+Clc1cc(cc(Oc2ccc([N+]([O-])=O)cc2C=O)c1)CC(OC)=O	46
+Clc1cc(Br)cc(Oc2cc(ccc2Cl)F)c1	46
+c1ncncc1Oc2cc(Br)cc(c2)Cl	3029
+Clc1cc(cc2cccnc12)C=C	2225
+O=Cc1cc(Cl)c2c(cccn2)c1	9022
+Clc1cc(ccc1)C2Oc3c(cc(Oc4ncc([N+]([O-])=O)cc4)cc3)CC2	9023
+Clc1cc(ccc1)C2c3cc(OC)ccc3C(CC2)=O	1720
+Clc1cc(ccc1)C2c3c(C(CC2)=O)ccc(c3)O	5
+Clc1cc(ccc1)NC(=O)N2Cc3c(CC2)[nH]nc3C(N(O)C)=O	1006
+Clc1cc(ccc1)NC(=O)N2Cc3c(CC2)[nH]nc3C(=O)O	6
+Clc1cc(ccc1)Nc2nccs2	3030
+Clc1cc(ccc1)NCCCN	51
+Clc1ccc2c(Sc3cccc(c3)Br)c([nH]c2c1)C	1502
+Clc1cc(ccc1)Nc2ccn3c(n2)c(cn3)C=C4C(NC(=O)N4C)=O	2021
+Clc1cc(ccc1)Nc2nc(-c3cc(C(NO)=N)ncc3)ncn2	958
+Clc1cc(ccc1)Nc2nc(-c3cc(C#N)ncc3)ncn2	577
+Clc1cc(ccc1)Nc2nc(-c3cc(C(NO)=O)ncc3)ncn2	9024
+Clc1cc(ccc1)Nc2ncc(c3n(ccc23)C)C(=O)O	1
+Clc1cc(ccc1)Nc2ncc(c3c2ccn3CC)C(=O)O	6
+Clc1cc(ccc1)Nc2ncc(c3c2ncn3C)C(=O)O	6
+Clc1cc(ccc1)Nc2nccc(-c3cccnc3NCCCN)n2	70
+Clc1cccc(Nc2ncnc3c2c(N=Cc4cccc(-c5nn(C)nn5)c4)[nH]n3)c1	4661
+Clc1ccc(c(c1)O)C2(C(N(c3ccccc23)CC(=O)OC)=O)O	1115
+Clc1cccc(Oc2cncc(Cl)n2)c1	842
+C1CC(CCN1Cc2ccccc2)NC(COc3cccc(Cl)c3)=O	648
+Clc1c(-n2cc(C(C)=O)c3ccccc23)ccc(C(=O)N)c1	216
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3ccc(C)c(Cl)c3)C1	1757
+c1c(ccc(Sc2cc(ccc2[N+]([O-])=O)C(=O)C)c1F)F	825
+c1(Cl)cc(O)c(nc1)[N+](=O)[O-]	3004
+Clc1cc(ncc1)C(C)Nc2nc3c(o2)c(cc(C(=O)O)c3)OC	1
+Clc1cc2C(=O)N(C(CSc3ncnc4nc[nH]c34)=Nc2cc1)c5c(Cl)cccc5	3031
+Clc1cc2C(CCCN(C(c3cnc(cc3)NC(c4c(cccc4)Cl)=O)=O)c2cc1)CCOC	21
+O=S(=O)(C)OCCC1CCCN(c2ccc(Cl)cc12)C(c3cnc(cc3)NC(c4ccccc4Cl)=O)=O	7
+Clc1cc2C(CCCN(C(c3cnc(cc3)NC(c4c(cccc4)Cl)=O)=O)c2cc1)CCO	88
+Clc1cc(C)c2OCCCC(N)c2c1	474
+Clc1cc2c(cc1)C(CO)CC2	2938
+Clc1cc2CCC(=C)c2cc1	2748
+Clc1cc2CCC3(CNCC3)c2cc1	9025
+Clc1cc2CCC3=C(CCCN3)c2cc1	9026
+c1cc(ccc1C(N2CCCC=3c4ccc(Cl)cc4CCC2=3)=O)OC	9027
+Clc1cc2c(SC(=O)N2CC(N(C)Cc3nc4c([nH]3)cccc4)=O)cc1	10
+Clc1cc2N(CCOc2c(c1)C(=O)O)C	1
+C1(=O)C(=O)Nc2c(c(c(Cl)cc2N1)N=[N+]=[N-])[N+]([O-])=O	31
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(N)=O	1360
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(=O)O	3
+Clc1cc2Sc3c(cc(C#N)cc3)N(c2cc1)C(C)CO	44
+O=S(=O)(C)OCC(C)N1c2c(Sc3cc(Cl)ccc13)ccc(c2)C#N	7
+Clc1cc2c(-c3cc[n+](cc3C(=O)N2C)[O-])cc1	103
+c1cc(ccc1-c2c(cccc2)C(=O)NCCc3c[nH]c4c3cc(cc4)Cl)OC	134
+Clc1cc2c(Cl)cc(nc2cc1)N3Cc4ccc(Br)cc4CCC3	286
+Clc1cc2c(NCCN)cc(nc2cc1)N3Cc4ccc(Br)cc4CCC3	105
+C(=O)(c1n(-c2c(Cl)cccn2)nc(Cl)c1)Nc3c(cc(cc3C(=O)NC)Cl)C	1302
+Clc1cc2c(cc1)scc2CBr	9028
+Clc1cc2c3c(cnc2cc1)ncn3C	9029
+Clc1cc2c(c([N+]([O-])=O)cnc2cc1)NC	105
+Clc1cc2c(c(N)cnc2cc1)NC	13
+Clc1cc2c(cc1)c(NCCCN)c3c(CCCC3)n2	105
+c1cc(ccc1Nc2c(C(OCC)=O)cnc3ccc(Cl)cc23)Cc4ccccc4	179
+c1cc(ccc1Cl)CSCC(c2c(C)c3c(s2)ccc(c3)Cl)=O	9030
+c1c2c(cc(c1)Cl)c(c[nH]2)CCNC(=O)c3noc(Cc4cccc(Cl)c4)n3	1506
+Clc1cc2c(CCNC(=O)c3noc(n3)Cc4ccccc4C)c[nH]c2cc1	1506
+Clc1cc2c(CCNC(=O)c3c(cccc3)I)c[nH]c2cc1	93
+FC(F)(F)c1cc(N2CCc3c(ccc(c3)Cl)C2)cc(Cl)c1NC(=O)CC(C)(C)C	79
+c1cc(ccc1N2CCN(CC2)C(C(N3c4c(CCC3)cc(cc4)Cl)C)=O)S(=O)(=O)Nc5ncncc5	10
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CC(O)=O)C3=O	4
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCO)C3=O	21
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCSC)C3=O	1105
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCCl)C3=O	9031
+Clc1cc2c(cc1)c(NCCCNC3CCc4c(ccc(n4)O)C3)c5c(CCCC5)n2	87
+Clc1cc2c(cc1)cc(nc2O)C(=O)N	314
+c1cc(ccc1)CN2CCN(CC2)c3c4cc(Cl)ccc4ccn3	43
+Clc1cc2c(cc1)nc(O)c(C(C=Cc3c(cncc3C)F)=O)c2-c4cnccc4	307
+Clc1cc2c(nc(cc2Br)NCc3c(cccc3)OC)cc1	811
+C(c1sc2c(cc(Cl)cc2)c1CC)(=O)C	2940
+Clc1cc2c(ccnc2cc1)C=NNC=3N=C(N)N(C(=O)C=3)C	3748
+Clc1cc2c(n[nH]c2cc1)CO	9032
+Clc1cc2c([nH]nc2C=O)cc1	178
+Clc1ccc2c(c(-c3cccnc3)cc(n2)NCc4c(cccc4)OC)c1	9033
+Clc1cc2c(nc(nc2NN)Cl)cc1	1021
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)NC(COc4noc5ccc(cc45)Cl)CO	9034
+Clc1cc2c3C(=NNC(=N)N)CCCc3[nH]c2cc1	9035
+c1c2c(ccc1Cl)n3c4c(nc3c5c2nc(cc5)C)cccc4	9036
+c1cc(ccc1-c2ccn3c(ncc3)c2)F	3032
+Ic1[nH]nc2c1c(C)nc(Cl)c2	4667
+c1cc(ccc1)-c2nccc(-c3n4ccc(Cl)cc4nc3)c2	140
+c1cc(ccc1)-c2nc(NC)cc(-c3cnc4n3ccc(Cl)c4)c2	140
+Clc1cc2sc(NN)nc2cc1	9037
+c1cc(ccc1)C2=CC(N(c3sc4c(n3)ccc(Cl)c4)N2)=O	1916
+Clc1ccc(c(F)c1)-c2ccccc2C(C)N	474
+Clc1ccc(c(C=O)c1)-c2nc(C)no2	39
+Clc1ccc(c(CC#N)c1)-n2ncnc2	163
+Clc1ccc(Br)c(c1C(=O)N)F	2681
+Clc1ccc(c(Cl)c1)CCCCO	213
+c1cc(ccc1)C(N)c2ccc(Cl)cc2C	9038
+Clc1ccc(C(=O)N(C)OC)c(Nc2ccccc2Cl)c1	280
+C1(=O)c2c(Oc3c(C)cccc13)cc(Cl)cc2	358
+c1(OC)ccc(-c2cc(c(cc2)C(OC)=O)[N+]([O-])=O)cc1F	667
+FC(F)(F)c1nc(O)c(-c2ccc(Cl)cc2Cl)nc1	2989
+Clc1ccc(c(Cl)c1)C(=O)N2Cc3ncc(Cl)n3CC2	115
+Clc1ccc(c(Cl)c1)-c2nc3c(cccc3C(=O)OC)o2	2453
+C1CN(CCC1)C2(CC(C2)COCc3ccccc3)CNC(=O)c4c(Cl)cc(cc4)Cl	93
+c1cc(ccc1F)C(c2ccc(cc2Cl)Cl)=O	222
+FC(F)(F)S(=O)(=O)Oc1ccc(c(c1)NC(C)c2c(Cl)cc(cc2)Cl)Cl	166
+Clc1ccc(C)c(-c2c(C(=O)O)cc(-c3ccnc(n3)N)[nH]2)c1	6
+Clc1ccc(C)c(-c2c(C(=O)N)cc(-c3c(cnc(N)n3)I)[nH]2)c1	393
+Clc1ccc(C)c(-c2c(C(=O)O)cc(-c3c(cnc(N)n3)I)[nH]2)c1	2244
+c1(Cl)cc(c(cc1[N+]([O-])=O)C)Cl	31
+c1cc(ccc1-c2oc(nn2)CSc3nnc(n3-c4c(cccc4)Cl)-c5ccc(cc5Cl)Cl)C	9039
+Clc1ccc(C=C(CCCCC)CO)c(Cl)c1	2874
+c1cc(ccc1OCc2nc(C=Cc3ccc(Cl)c(c3)F)oc2)CCCCn4ccnc4CS(=O)(=O)C	547
+Clc1ccc(nc1Cl)CC#N	1461
+Clc1ccc(c(C=O)c1)CC(OC)=O	674
+Clc1ccc(CC)c(-c2c(C(=O)O)cc(-c3c(cnc(N)n3)Br)[nH]2)c1	6
+Clc1ccc(CC)c(-c2c(C(=O)N)cc(-c3c(cnc(N)n3)Br)[nH]2)c1	393
+Clc1cc(N)c(cc1)CC	0
+Clc1ccc(c(Cl)c1)CCOc2cc(ccc2OC)C(=O)OC	126
+Clc1ccc(c(Cl)c1)CCOc2c(Cl)c(OC)cc(C(=O)OC)c2	126
+c1c(Oc2c(Cl)ccc(CN)c2F)c(c(cc1C#N)F)Cl	9040
+Clc1ccc(CNC(=O)c2c(nn(c2)CCOCC)OCC)c(Cl)c1	21
+Clc1ccc(c(Cl)c1)CNC(c2c(nn(CCO)c2)OCC)=O	665
+c1(cc(c(cc1)Cl)-c2n(-c3ccc([N+](=O)[O-])c(-n4c(nc(C)c4)-c5c(ccc(Cl)c5)Cl)n3)cc(C)n2)Cl	3033
+Clc1ccc(Cl)c(CC#N)c1	163
+c1ccccc1Oc2ccc(cc2[N+](=O)[O-])Cl	415
+C1CC(CCN1C(=O)Cc2cc(ccc2Cl)Cl)c3nc(cs3)C(N(C)C(c4ccccc4)CC)=O	10
+CCN(Cc1sc(Cl)nc1)c2c(Cl)ccc(Cl)n2	43
+Clc1ccc(Oc2cc(ccc2OC)CC(=O)OCC)c(C=O)c1	46
+[N-]=[N+]=NCc1c(I)ccc(Cl)c1	925
+Clc1cc(c(N)cc1)C(c2c(O)c(ccc2)OC)=O	5
+O=S(=O)(Nc1c(C(c2ccccc2Cl)=O)cc(cc1)Cl)c3ccc(c(c3)OC)OC	69
+O(c1c(C(c2c(ccc(Cl)c2)NCc3c(cc(cc3)OC)OC)O)cccc1OC)CC	208
+Clc1ccc(c(C2=CC(=O)N3C(CCC3=C2)C(=O)O)c1)-n4nnnc4	1441
+Clc1ccc(N)c(C2=CC(=O)N3C(CCC3=C2)C(=O)O)c1	3
+Clc1ccc(N)c(C=CC(OCC)=O)c1	4668
+FC(F)(F)c1c(C(OC)=O)cnc(Nc2ccc(cc2Cl)Cl)c1	201
+FC(F)(F)c1c(C(=O)OC)cnc(Nc2c(Cl)cc(cc2)Cl)n1	55
+Clc1ccc(NCC(CCl)O)c(Cl)c1	843
+c1(ccc2c([nH]c(-c3cccc4C(c5c(cccc5)-c34)=O)n2)c1)Cl	1127
+c1ccccc1COCC(=O)N2CCCN(c3c(Cl)cc(Cl)cc3)CC2	58
+Clc1cc(c(cc1)NC(Nc2c(NCCCO)c(ccc2Cl)C(OC)=O)=S)Cl	773
+Clc1ccc(NCC(Cn2ccnc2)O)c(Cl)c1	871
+c1c(cc(c(NCC(OCc2cccc(Cl)c2)Cn3ccnc3)c1)Cl)Cl	149
+Nc1cc2c(cc1OCC)ncnc2Nc3c(F)c(c(Cl)cc3)Cl	0
+Clc1cc(c(O)c([N+]([O-])=O)c1)CCc2ncccc2	77
+Clc1ccc(cc1-c2cc(F)ccc2)O	134
+c1(cccc(F)c1NC(=O)c2oc(Cc3cc(ccc3OC(=O)C)Cl)cc2)F	768
+Clc1ccc(c(-c2c(c3c(nc(nc3cc2)N)N)Cl)c1)O	5
+Clc1ccc(c(-c2oc(nc2)CCCCC(OC)=O)c1)O	5
+O=S(=O)(c1ccc(O)c(Cc2cc(Cl)ccc2OCC(=O)OC)c1)C	4669
+Clc1ccc(OCOCCOC)c(c1)CCl	438
+Clc1cc(CO)c(cc1)Oc2cc(ccc2OC)CC(=O)OCC	41
+Clc1ccc([N+]([O-])=O)c(c1)Oc2c(cccc2)C(=O)O	500
+c12c(cccc1)Oc3c([N+]([O-])=O)ccc(Cl)c3C2=O	358
+Clc1ccc(Cl)c(-c2nc(cn2-c3c(ccc(Cl)n3)[N+]([O-])=O)C)c1	3033
+Clc1ccc2oc3ncc(cc3c2c1)Cl	9041
+Clc1ccc(N)c(c1)C2Cc3c(N2)cccc3	9042
+Clc1ccc(c(-c2oc(nc2)CCCCC(=O)O)c1)O	4
+Clc1ccc(c(-c2oncc2CCCO)c1)Cl	95
+Clc1ccc(c(-c2oncc2CCC(=O)O)c1)Cl	3
+Clc1cc(c(cc1)N)C(Nc2nn(cc2)-c3ccc(c(C)c3)C)=O	0
+c1cc(ccc1NC(CN2C3=C(C(=O)CC3)C(c4cc(ccc4Br)Cl)=CC2=O)=O)C=5NOC(=O)N=5	9043
+c1ccccc1C(COC(=O)C2N3C(CC2)=CC(=CC3=O)c4c(-n5nnnc5)ccc(Cl)c4)=O	1231
+Clc1ccc(O)c(CCc2ncccc2)c1	4195
+c1ccccc1S(=O)(=O)N2C(CN(Cc3c(CC(=O)OC)ccc(c3)Cl)CC2)C	48
+C1C(CO1)(COc2c(C=O)cc(cc2)Cl)C	450
+c1ccccc1CCOc2c(cc(cc2)Cl)C=O	8
+c1(c(C=O)cc(Cl)cc1)Oc2ccnc3cc(c(cc23)OC)OC	242
+Clc1ccc(c(c1)C(C#N)N)OC	9044
+Clc1ccc(OCC(OC)=O)c(CO)c1	41
+c1(Cl)ccc(OCC(OC)=O)c(c1)C=C2C(=O)Nc3cc(ccc23)Cl	1495
+Clc1ccc(OCOCCOC)c(CO)c1	41
+c1ccccc1C=2OC(C(N=2)=Cc3cc(Cl)ccc3Sc4cccs4)=O	9045
+Clc1ccc(c(c1)CC(=O)O)-n2ncnc2	508
+c1cc(ccc1F)CN2CC(N(CC2C)C(COc3ccc(Cl)cc3CC(OCC)=O)=O)C	648
+Clc1ccc(c(C=O)c1)Sc2cccs2	39
+Clc1ccc2-c3c(OCc2c1)c4CCCC(c4cc3)=O	3034
+Clc1ccc(c(Cc2ccc(C(=O)O)o2)c1)O	6
+Clc1ccc(c(Cc2ccc(o2)C(=O)OCC)c1)O	5
+c1(Cl)c([N+]([O-])=O)cc(c(c1)Cl)-c2nc3CCCCn3c2Cl	31
+Clc1ccc(-c2c(N)c(NC(CCC)C)ncc2)c(Cl)c1	13
+c1cc(NCCNc2cc(-c3ccc(Cl)cc3Cl)c(cc2)[N+]([O-])=O)nc(N)c1[N+](=O)[O-]	60
+Clc1ccc(c(Cl)c1)-c2nc(n3c(ncc3)c2)OCCNc4ccc([N+]([O-])=O)c(n4)N	9046
+Clc1ccc(c(Cl)c1)-c2c(Cl)n3CCCCc3n2	844
+Clc1ccc(c(Cl)c1)-c2cn3CCCCc3n2	3035
+Clc1ccc(c(Cl)c1)-c2cnc(N)c(c2C#N)Cl	395
+Clc1ccc(c(Cl)c1)-c2nc3c(cccc3C(=O)N)o2	393
+Clc1ccc(c(Cl)c1)-c2nc3c(cccc3C(=O)O)o2	1
+C1N(Cc2n(c(Cl)c(n2)Cl)C1)C(=O)c3ccc(Cl)cc3Cl	844
+Clc1ccc(C(=O)O)c(c1)Oc2c(cccc2)C	415
+Clc1ccc(c(Cl)c1)-c2cn3ccccc3n2	9047
+Clc1ccc(c(Cl)c1)C2C(C(=O)OCC)=C(N=C(c3ncccc3F)N2)CN4CCOC(C(=O)O)C4	2644
+Clc1ccc(c(Cl)c1)C=2NC(=O)c3cc(nn3C=2)C=O	178
+Clc1ccc(c(Cl)c1)C=2NC(=O)c3cc(CO)nn3C=2	194
+Clc1ccc(c(Cl)c1)CCCC(=O)O	4670
+Clc1ccc(c(Cl)c1)CCNc2cc(Cl)nc(n2)OC	40
+Clc1ccc(c(Cl)c1)CCNC(c2ccc([N+]([O-])=O)cc2N)=O	1338
+C(c1ccc(c(C#N)c1)-n2c3c(cc(C(NCCc4ccc(Cl)cc4Cl)=O)cc3)cc2)C(=O)O	4
+O=S(=O)(NC(C1CCCN(c2nc(nc(NCCc3c(cc(Cl)cc3)Cl)c2)OC)C1)=O)C	344
+Clc1ccc(c(Cl)c1)CCNc2nc(nc(-c3cc4CC(N(C)c4cc3)C(=O)O)c2)OC	3
+Clc1ccc(c(Cl)c1)CCOc2cc(cc(OC)c2Cl)C(=O)O	1
+Clc1ccc(c(Cl)c1)CCOc2cc(C(=O)O)ccc2OC	1
+Clc1ccc(c(Cl)c1)COc2ccc3c(CC(OC)=O)coc3c2Cl	139
+Clc1ccc(c(Cl)c1)CNC(c2cnc(nc2O)N)=O	484
+c1cc(ccc1-c2nc3n(ncc3)c(NCc4c(cc(cc4)Cl)Cl)c2)C(OC)=O	1005
+O=S(=O)(CCCCC)NC(=O)c1ccc(c(N(Cc2c(cc(Cl)cc2)Cl)C)c1)[N+](=O)[O-]	258
+c1(cc(c(CNC(c2cn(nc2OCC)CCOc3c(CC(OC)=O)cccc3OCC)=O)cc1)Cl)Cl	20
+c1nc(ncc1Br)N2CCC(NCc3c(Cl)cc(cc3)Cl)C2	117
+Clc1ccc(c(Cl)c1)COc2ccc3c(coc3c2Cl)CC(=O)O	4
+c1(Oc2ccc(Cl)cc2Cl)c(ccc(c1)Cl)[N+](=O)[O-]	415
+c1c(Cl)c(Oc2ccccc2C#N)ccc1Cl	46
+Clc1ccc(c(Cl)c1)OC(c2sc(N)nn2)C	1087
+COC(OC)CN(C)C(=O)Nc1sc(C(C)Oc2ccc(Cl)cc2Cl)nn1	1110
+c1(ccc(Cl)cc1O)[N+]([O-])=O	1683
+Clc1ccc([N+]([O-])=O)c(Oc2c(cccc2)C=O)c1	415
+c1ccccc1CN2CCC(CC2)Nc3cc(ccc3[N+]([O-])=O)Cl	205
+Clc1ccc(c(F)c1)-c2c(F)cncc2C(=O)NC	56
+Clc1ccc(c(F)c1)-c2c(F)cncc2C(=O)O	1
+O=S(=O)(c1ccc(OC)cc1OC)NC(C)c2c(-c3c(F)cc(Cl)cc3)cccc2	71
+O=S(=O)(NC(c1c(-c2c(F)cc(Cl)cc2)cccc1)C)c3ccc(cc3)OC	71
+c1([N+](=O)[O-])cc(F)c(cc1Cl)F	31
+Clc1ccc(c(OC)c1)Oc2ccc(cc2-c3cccnc3OC)C#N	305
+Clc1ccc(c(OC)c1)Oc2ccc(C(=O)N)cc2-c3cccnc3OC	216
+c1cc(ccc1C(=O)C)Oc2c([N+](=O)[O-])cc(cc2)Cl	304
+Clc1ccc(c([N+]([O-])=O)c1)CCOC(=O)OCC2OC(N3C=C(C(NC3=O)=O)C)CC2O	405
+Clc1cc(N)c(NC2CC(C)N(CC2)C(=O)OC)cc1	0
+Clc1ccc(c(c1)-c2c(OCC)cnc(O)c2)C#N	104
+O1CCOC1(C)COc2cc3C4(N=C(N)OC4)c5c(ccc(c5)-c6c(ccc(Cl)c6)F)Oc3nc2	381
+Clc1cc(c(cc1)C2c3c(cccc3)N(C2=O)CC(=O)OC)O	462
+FC(F)(F)c1cc2c(c(O)nc(-c3c(SCC)cc(Cl)cc3)n2)cc1	748
+c1cc(Cl)c(c(c1OC)Cl)[N+]([O-])=O	297
+c1(cc(c(Cl)cc1I)-c2cc(F)ccc2)O	235
+c1(-c2nc3c([nH]2)ncc([N+]([O-])=O)c3)c(Cl)ccc(NC(=O)c4occc4)c1	2245
+O=S(=O)(C)Oc1cc(C)c(Cl)cc1	444
+c1ccccc1[Si](c2ccccc2)(Oc3cc(C)c(cc3)Cl)C(C)(C)C	1505
+Nc1cccnc1Nc2cc(c(Cl)cc2)F	13
+c1c(c(cc(Cl)c1F)C(=O)C)O	94
+c1cc(ccc1Br)CC(=O)c2cc(Cl)c(O)cc2O	214
+c1cc(ccc1)-c2nc(nc(-c3ccccc3)n2)-c4cc(Cl)c(cc4O)O	9048
+Clc1ccc-2c(c1)COc3cc(O)ccc-23	5
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)-c3ccc(Cl)cc3CO2	166
+c1cc(ccc1)CC2(C)C(Nc3cc(ccc23)Cl)=O	9049
+Clc1ccc2c(c1)NC(=O)C2=Cc3cc(Cl)c(F)cc3OC	1495
+Clc1ccc2c(C(NC(C3COCCN3c4c(cnc(Cl)n4)Br)=O)CC2)c1	9
+Clc1cc2N(c3ncnc(Cl)n3)CCCc2cc1	3036
+[N-]=[N+]=NC(C)Cn1c-2c(cc1)Cc3ccc(Cl)cc-23	2135
+Clc1ccc2c(C3(COc4cc5c(cc34)CCO5)C(N2CC(OCC)=O)=O)c1	20
+FC(F)(F)C(NC1C2c3c(Oc4c(cc(cc4)Cl)N2CCC1)cccc3)=O	605
+Clc1cc2c(nc(Cl)c3c2n(cn3)-c4c(Cl)cccc4)cc1	445
+Clc1ccc2Cc3ccn(CC(O)C)c3-c2c1	9050
+Clc1ccc2c(C(c3c(cc4c(CCO4)c3)O)C(=O)N2CC(OCC)=O)c1	462
+CC=CCC1C(c2c(ccc(Cl)c2)C1)=O	4432
+Clc1ccc2CCC(N3c4c(N5CCOCC5C3=O)nc(Cl)nc4)c2c1	9051
+Clc1ccc2c(C3(COc4cc5c(cc34)CCO5)C(N2CC(=O)O)=O)c1	3
+Clc1ccc2c(C=Cc3sc(nc3C2C=4C(NC(NC=4)=O)=S)C)c1	3873
+c1(c(Cl)ccc2c1nccc2Cl)[N+](=O)[O-]	3037
+C1CN(CCN1c2cc(ccc2)OC)Cc3ccc(cc3)Nc4ccnc5c4ccc(Cl)c5	179
+Clc1ccc2c(cnnc2-c3ccc(cc3C)F)c1	519
+Clc1ccc2c(NC(N2C3CCNCC3C)=O)c1	1574
+c1cc(ccc1F)C(c2ccc(cc2)F)CCCN3CC(C)C(CC3)N4C(=O)Nc5cc(Cl)ccc45	53
+FC(F)(F)c1ncc(-n2c3cc(Cl)ccc3c(Sc4cccc(C(=O)OC)c4)c2C)cc1	3217
+c1cc(ccc1F)Cn2c3cc(ccc3c(Sc4cc(C(=O)OC)ccc4)c2C)Cl	190
+c1ccccc1-n2cc(-n3c(c(c4ccc(cc34)Cl)Sc5cc(ccc5)C(OCC)=O)C)cn2	1865
+c1cc(ccc1Cn2cc(c3ccc(Cl)cc23)C=O)F	190
+c12nc(cc(-c3cccnc3)c1cc(NCc4cccnc4)cc2)NCc5ccccc5OC	205
+Clc1ccc2c(C(C(N2CC(OCC)=O)=O)(O)c3cc4c(cc3O)OCC4)c1	1115
+C1(c2c(C(=O)N1CC(N3c4cc(ccc4Oc5ccccc5C3)Cl)=O)cccc2)=O	192
+C1CC1c2c(c3c(cc(Cl)cc3)n2-c4cnn(CCC)c4)Sc5cccc(C(OCC)=O)c5	9052
+Clc1ccc2c(cc(C(NCC(OC)=O)=O)[nH]2)c1	1008
+Clc1ccc2c(cc(C(=O)OCC)n2CCCSC)c1	965
+Clc1ccc2n(c(CO)cc2c1)CCCSC	194
+Clc1ccc2c(cc(C(NCC(N3C(C(OC)=O)SCC3)=O)=O)[nH]2)c1	478
+Clc1ccc2c(cc(C(NCC(N3CCSC3C(=O)O)=O)=O)[nH]2)c1	4
+Clc1ccc2c(cc(C(NCC(=O)O)=O)[nH]2)c1	4
+FC(F)(F)C(c1c[nH]c2ccc(Cl)cc12)=O	531
+Clc1c([N+]([O-])=O)c2c(cc1)nc(C)cc2	1804
+c1cc(ccc1Oc2ncc3c(ccc(c3)Cl)c2)OC	136
+n1cc2cc(Sc3cccc(F)c3)ccc2c(n1)-c4c(cc(cc4)F)C	825
+Clc1ccc2c(n(C(=O)CC(C)CC(=O)O)c(CCCCCC)c2)c1	4
+Clc1ccc2c(nc(C=Cc3cc(ccc3)CN4c5c(CC4)cccc5CCC#N)cc2)c1	2786
+Clc1ccc2c(nc(C=Cc3cccc(c3)OC(C)C#N)cc2)c1	143
+Clc1ccc2c(nc(C=Cc3cccc(OC(C(N)=O)C)c3)cc2)c1	83
+c1cc(ccc1CNc2c3C(CCCc3nc4cc(ccc24)Cl)=O)F	608
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(OCC)=O)n2)c1	9053
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(=O)O)n2)c1	3
+c1(c2ccc(cc2cnn1)-c3c(C)ccc(C(=O)O)c3)O	667
+c1ccccc1-n2c3c(c4ccc(Cl)cc24)cccc3	2246
+Clc1ccc2c(n[nH]c2I)c1	538
+Clc1ccc2c(c(n(c2c1)C)-c3cc(C=O)cnc3)C#N	4671
+Clc1ccc2cc(CCCCCC)[nH]c2c1	9054
+Clc1ccc2cc(C=CCCCC)[nH]c2c1	9055
+c1cc(ccc1C)C#Cc2ccc3c(cc4CC5(Cc4c3)C(=O)Nc6ncccc56)n2	9056
+FC(F)(F)C(c1c2ccc(Cl)cc2[nH]c1)=O	531
+Clc1ccc2ccc(COc3cc4c(OCc5c(C4SCCC#N)cccc5)cc3)nc2c1	143
+Clc1ccc2ccc(COc3cc4c(OCc5c(C4SCCC(=O)N)cccc5)cc3)nc2c1	1360
+Nc1c(Br)c2c(ccc(Cl)c2F)nc1	13
+n1cccc2c([N+]([O-])=O)c(Cl)ccc12	1804
+Clc1ccc2oc(-c3cc(C(=O)O)ccc3)cc2c1	6
+C(Nc1nc2cc(Cl)ccc2o1)C3NCCCC3C	9057
+c1ccccc1C(=O)Nc2sc3c([nH]nc3-c4cc(ccc4)Cl)n2	9058
+Clc1cccc(c1)-c2nn(-c3ccc(Cl)c(C)c3)cc2	901
+Clc1cccc(-c2c(-c3cc(ccc3)C#N)cc(s2)C(=O)O)c1	6
+c1cc(ccc1C(c2ccc(c(-c3cc(Cl)ccc3)c2F)OC)=O)[N+](=O)[O-]	222
+Clc1cccc(-c2c3c(nc(O)c2)ccc(C(c4cccc(I)c4)=O)c3)c1	104
+Clc1cccc(-c2c3c(NC(C3=Cc4c(cc(C)[nH]4)C)=O)ccc2)c1	292
+Clc1cccc(c1)-c2noc(C)c2CO	1043
+Clc1cccc(-c2noc(C)c2C(=O)O)c1	6
+Clc1cccc(-c2c(-c3cc(ccc3)C#N)cc(C(=O)OCC)s2)c1	1074
+c1ccc(Cl)cc1CCCCCCC(c2ncc(-c3ncccc3)o2)=O	213
+Clc1cccc(C#Cc2nc(C)n(c2)-c3cc(F)cnc3)c1	9059
+Clc1cccc(c1)-c2nn3c(ccnc3)c2	9060
+FC(F)(F)c1cc(S(=O)(=O)N(COC)c2cc(Cl)cnc2C3OC(=O)c4cccc(Cl)c34)ccc1Cl	9061
+Clc1cccc(c1)-c2[nH]c3c(ncnc3Cl)n2	4672
+c1(cccc(NC(CCC)=O)c1)NC(=O)c2cccc(Cl)c2	67
+CC(C)c1onc(c1COc2ccc(cc2)-c3ccc4c(ccc(n4)C(=O)OCC)c3)CS(c5c(cccc5Cl)Cl)=O	357
+Clc1cnc(NC2CC(C(=O)N)CCC2)nc1S(=O)C	1056
+FC(F)(F)C=1N(C(=O)N(c2cc3c(nsc3cc2)CS(=O)(=O)C)C(C=1)=O)C	2852
+FC(F)(F)C=1N(C(=O)N(C(C=1)=O)c2cc3c(CS(C)=O)nsc3cc2)C	441
+FC(F)(F)COc1ccnc(c1C)CS(c2nc3cc(N4CCN(CC4)C)c(F)cc3[nH]2)=O	172
+FC(F)(F)Cc1ccc(cc1)C2CN(C(=O)N3CCS(CC3)=O)CC(c4nc(no4)OCCOC)C2	441
+FC(F)(F)Oc1ccccc1S(=O)(=O)C	720
+FC(F)(F)c1c(noc1-c2nc(-c3ccc(cc3)C4OC4)no2)-c5ccccc5	3038
+FC(F)(F)c1cc(Cl)c(c(Cl)c1)-c2cc(S(=O)(=O)C)n(C)n2	9062
+FC(F)(F)c1cc(Cl)c(c(Cl)c1)-c2cc(S(=O)C)n(n2)C	1056
+FC(F)(F)c1cc(S(=O)CC)cc(S(=O)(=O)N(C2CCCc3c2cnn3CC(OCC)=O)C)c1	357
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2CCc3[n+](cccc3C2c4ccc(cc4)F)[O-])C	103
+FC(F)(F)c1cc2nc(-c3cc(Cl)[n+]([O-])cc3)oc2cc1	103
+FC(F)(F)c1cccc(N2C(=O)NC(C3=C2CCCC3=O)c4ccc(C#N)cc4S(=O)C)c1	357
+FC(F)(F)c1cccc(c1)N2C3=C(C(CC3)=O)C(c4c(S(=O)C)cc(C#N)cc4)N(C2=O)C	357
+FC(F)(F)c1cccc(c1)Nc2nc(-c3cc[n+](cc3)[O-])ccn2	103
+FC(F)=C(CCOC(c1cnc(nc1C)S(=O)(=O)C)=O)C	737
+FC(F)Oc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C	172
+C1COCCN1c2nc(S(C)=O)nc(-n3c4ccccc4nc3C(F)F)c2	172
+Fc1cccc(F)c1N2c3c(C=CC2=O)c(Cl)nc(n3)S(C)=O	172
+[n+]1(cc2c(cc1)OCC23C(N(CCCCC)c4ccccc34)=O)[O-]	103
+c1c(C=2C(NC(=O)C=2c3cn(C)c4ccccc34)=O)c5c(cccc5)n1CCCS(=O)C	441
+c1(c(NC(C)=O)cccc1)OCC2(OC2)C	2727
+O(CC)C(=O)C(C)c1[n+](cccc1)[O-]	103
+O1CCOC1(CCCn2c3c4ccccc4[n+](cc3nc2C)[O-])C	359
+O1Cc2c(ccc(C3CO3)c2OC)C1=O	3038
+C12C(C(=O)N(C1=O)CCCCl)CC3C(C2)O3	9063
+O=S(=O)(C)c1c(cccc1)C=2C(=O)N(c3nc(S(=O)C)ncc3C=2)CC	172
+O=S(=O)(N)Nc1c(c(S(C)=O)ccc1)C#N	357
+O=S(=O)(Nc1c(F)c(cc(Cl)c1)-c2c(oc(C3CC3)n2)-c4nc(ncc4)S(C)=O)C	172
+O=S(=O)(Nc1c(c(-c2c(-c3nc(S(=O)C)ncc3)sc(n2)C4CC4)cc(Cl)c1)F)C	172
+O=S(=O)(c1c(CN2c3nc(S(=O)C)ncc3C=CC2=O)cccc1)CC	172
+O=S(=O)(c1ccc(C=2C(N(c3c(cnc(n3)S(=O)C)C=2)CC)=O)c(c1)C)N(C)C	172
+O=S1(=O)c2c(cc(cc2)Br)C=C(C(OC)=O)CC1	9064
+C(=O)(C)OC(C(=O)NCCCCCCCC)CCS(C)=O	441
+c1c(OC)ccc2[nH]c(S(=O)Cc3nccc(OCCO)c3C)nc12	172
+O=S(c1[nH]c2cc(C)c(C(=O)C)cc2n1)Cc3nccc4OCOc34	172
+c1c(OC)ccc2[nH]c(S(=O)Cc3cccc4CCCN(C)c34)nc12	172
+O=S(Cc1cc(OC)ccn1)c2[nH]c3cc(F)c(-n4ccnc4)cc3n2	172
+O=S(=O)(C)c1cc(ccc1)Nc2c(C(=O)OC)c(C#N)cc(Cl)n2	720
+c1c(ccc(Cl)n1)S(c2c(F)cccc2)=O	1758
+C(CS(=O)c1cccc(n1)C=2Sc3c(cccc3)C(N=2)=O)CCC	1056
+[N+]([O-])(=O)C([N+]([O-])=O)(C)COCC1OC1	553
+O=S1(=O)c2cc(ccc2C=Cc3cc(ccc13)[N+](=O)[O-])C#N	9065
+c1c(-c2cccc(C)n2)[n+](c(cc1)C)[O-]	103
+c1c(OCC)c(cc(C)c1)O	9066
+c1cc(ccc1CCc2cc(C)[n+](c(C)c2)[O-])[N+]([O-])=O	103
+c1(CN2N=C(OCCC3CO3)C=CC2=O)cc(ccc1)C(=O)OC	553
+O(Cc1cccc[n+]1[O-])C2CCOC2	103
+c1(Cl)ccnc(CO)c1	9067
+Clc1c[n+](cc(Cl)c1COC2OCCCC2)[O-]	103
+c1(F)cc(cc(F)c1)COc2c[n+](cc(c2)C#N)[O-]	103
+C1CC(CCN1c2c(nc(n2-c3c(cc(cc3F)F)F)S(=O)(=O)C)Cl)C	737
+c1(F)cccc(F)c1N2c3nc(S(C)=O)nc(c3C=CC2=O)-c4cc(C(=O)Nc5sccn5)ccc4C	172
+c1(F)cccc(F)c1N2c3nc(S(C)=O)nc(c3C=CC2=O)-c4c(ccc(C(O)=O)c4)C	172
+c1(F)cccc(F)c1N2c3nc(S(C)=O)nc(c3C=CC2=O)-c4cc(C(NCc5ccccc5)=O)ccc4C	172
+Oc1nc2c(C)cc3c(c2cc1)OC(CO)C3	2730
+c1(Cl)cc([n+]([O-])c2CCCCc12)C	103
+Clc1cc(cc(Cl)c1-n2nc3c(c2)c[n+](cc3)[O-])F	103
+O=S(=O)(c1cc2c(cc1)cc(cc2)OC)C	720
+c1(cc2ccc[n+]([O-])c2cc1)N3C(c4cc(OC)ccc4C3)=O	924
+c1(ccc2c(oc(S(=O)C)n2)c1)Cn3cnc4c3cc(Cl)c(Br)c4	9068
+[n+]1([O-])cccc(C(=O)OC)c1CCl	103
+c1[n+]([O-])c2CCC(C)c2c(Cl)n1	2758
+[O-][n+]1cc(F)c2nc(-c3c(F)cccc3Cl)sc2c1	9069
+C(CCC(CCCn1c(nc2c[n+]([O-])c3ccccc3c12)CCC)=O)CCC	359
+c1c(c(C)[n+](c2c1CCCCC2)[O-])C(OCC)=O	103
+c12nc3c[n+]([O-])c4c(cccc4)c3n1OCCCC2	359
+c1([n+]([O-])c(C)ccc1)Cl	103
+C(Oc1[n+]([O-])c(C)ccc1)CCC	103
+O=S(=O)(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c5ccccc5n(C)c4	2852
+c1ccc(c[n+]1[O-])C=Cc2cc(ccc2)Nc3c(cccn3)[N+]([O-])=O	103
+c1c(Cl)c(c(cc1[N+]([O-])=O)Cl)-n2cc3c(n2)c(c[n+]([O-])c3)F	103
+Clc1c[n+](cc(Cl)c1NC(c2cc(C#N)ccc2)=O)[O-]	103
+Fc1cc(cc(F)c1C2CO2)S(=O)(=O)N(c3c(cc(C)cc3)C)CC(C)C	3038
+c1c(F)c(ccc1F)C(C(C)c2ccc[n+]([O-])c2)(Cn3ncnc3)O	103
+c1c(F)c(ccc1F)C(Cn2ncnc2)(C(C)c3[n+](cccc3)[O-])O	103
+O=S(=O)(C)Cc1c2c(ccc1)cc[nH]2	1547
+O=S1(=O)CCCOc2cc(ccc12)F	720
+c1c(ccc(N2c3c(c(Cl)nc(n3)S(=O)C)C=CC2=O)c1F)F	172
+c1ccc2c(c1)C(=O)N(C2=O)c3[n+](cc(C)c(c3)C)[O-]	103
+c1c(OC(C)=O)cc2CCC(=O)Nc2c1F	4673
+c1c2c(Br)cccc2n(-c3ccnc(S(=O)C)n3)c1	172
+c1nc(c2cc(S(=O)C)ccc2n1)NCc3ccc4OCOc4c3	357
+c1[n+](c(OCC)cc2ccccc12)[O-]	103
+c1c2ccc[n+]([O-])c2ccc1OCCBr	924
+c1c(c[n+](c(C)c1)[O-])Br	103
+Clc1ccc2c(c3c(ncn3-c4c(Cl)cccc4)c[n+]2[O-])c1	359
+c1cc(c(cc1)CS(c2nc3c(CCCC3)[nH]2)=O)N	172
+c1cc(OCC(=O)O)cc2N(CCc12)c3c4CS(Cc4nc(Cl)n3)=O	441
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(S(=O)C)s3	9070
+S(C)(=O)c1nccc(-n2c3cc(ccc3cc2)-c4cc(ccc4)[N+]([O-])=O)n1	172
+c1cc(cc(c1OC)F)CC2CO2	553
+c1cc(ccc1)-c2cc(N(c3ccnc(n3)S(=O)C)C)cc4c2[nH]cn4	172
+c1cc(ccc1)-c2cc(nnc2Cl)Nc3nc(ncc3)S(C)=O	172
+c1cc(ccc1)-c2nc(sc2C)S(=O)C	2247
+c1cc(ccc1)C(=O)CCCn2c3c4c(cccc4)[n+](cc3nc2)[O-]	359
+c1cc(ccc1)C(=O)c2nc(on2)CS(=O)c3ccccc3	357
+c1cc(ccc1)CCc2cc[n+](c3ccc(cc23)C(=O)c4ccc(cc4)Cl)[O-]	924
+c1cc(ccc1)COCC2COCc3nc4c[n+]([O-])c5c(cccc5)c4n23	359
+c1cc(ccc1)COc2c(ccc(c2)CC)Oc3c(F)cc(OC(=O)C)cc3	4673
+c1ccccc1CS(c2cc(nc3c(cnn23)C=C4NC(=O)NC4=O)Nc5cc(Cl)ccc5)=O	1056
+c1cc(ccc1)CS(=O)(=O)c2nc3c(CN(c4c(cccc4)Cl)C(N3)=O)cn2	737
+c1cc(ccc1)N(CCC2CO2)S(=O)(=O)c3ccccc3[N+](=O)[O-]	553
+c1ccccc1NC(=O)c2c3ccc(cc3[n+](c(C)c2)[O-])-c4ccc(OCC(C)(C)C(=O)O)nc4	924
+c1cc(ccc1)S(c2c3c(cc(cc3)OC)ncc2)=O	2248
+c1cc(ccc1)S(c2ccc(nc2)Br)=O	1758
+c1cc(ccc1)S(=O)c2ccc3nc(NC(=O)OC)c(Br)n3c2	1758
+c1cc(ccc1)S(=O)c2cnc(cc2)Cl	1758
+c1cc(ccc1Br)-c2ccc(cc2)OCc3ccc[n+]([O-])c3OC	103
+c1cc(ccc1-c2c3ccc(-c4cc(ccc4)[N+]([O-])=O)cc3n(-c5ccnc(n5)S(C)=O)c2)OC	172
+c1cc(ccc1C(O)=O)-c2c[n+]([O-])ccc2	103
+c1cc(ccc1-c2nc(S(C)=O)ncc2)Br	172
+c1cc(ccc1-c2nc3c(cc(S(=O)(=O)C)cc3)s2)Cl	720
+c1cc(ccc1S(=O)(=O)CCCOc2c(c(c(cc2)C(C)=O)O)CCC)C(CCCCC(OC)=O)=O	720
+c1c[n+](ccc1-c2ccc(cc2)C(C)C)[O-]	103
+c1cc(ccc1C(OC)=O)-c2cc3c(cc(cc3)OC)[n+](c2)[O-]	924
+c1cc(ccc1C)S(=O)(=O)n2cc(c3cc(cnc23)F)-c4nc(c(F)cn4)S(=O)C	1056
+c1cc(ccc1C2=NN(CC3CC3)C(C(=C2)COS(=O)(=O)C)=O)S(C)=O	357
+c1cc(ccc1Cl)CC2CO2	553
+c1cc(ccc1CCNc2c(c(CC)ncn2)C(OCC)=O)CCS(=O)C	441
+c1cc(ccc1CN2CCc3c(c(c[n+]([O-])c3C(N(C)C)=O)OC)C2=O)OC	103
+O=S(=O)(Cc1ccc(cc1)Cl)CC(c2c(C)c3c(ccc(Cl)c3)s2)=O	9071
+c1cc(ccc1CS(=O)CCn2nncc2)OCC=C	441
+c1cc(ccc1Cl)-c2cnc(S(=O)(=O)C)nc2-c3c(cc(cc3)Cl)Cl	737
+c1cc(ccc1C(O)CC2OC2)Cl	553
+c1cc(ccc1CS(CC(c2sc3ccc(cc3c2C)Cl)=O)=O)Cl	9072
+c1cc(ccc1F)-c2n(c3c(nc(Cl)cc3)n2)-c4ccnc(n4)S(C)=O	172
+c1cc(ccc1F)-c2noc(Cn3c(nc4c[n+](c5cccnc5c34)[O-])CCC)c2	4287
+c1cc(ccc1F)COCC2COCc3nc4c[n+]([O-])c5c(cccc5)c4n23	359
+c1cc(ccc1N)S(C)=O	357
+c1cc(ccc1NC(NC(c2c([N+](=O)[O-])cccc2)=O)=O)S(c3ncc(cn3)Br)=O	9073
+c1cc(ccc1NC(c2c(nccc2)S(=O)Cc3ccncc3)=O)Cl	1056
+c1cc(ccc1C#N)OCCC2CO2	553
+c1cc(ccc1OCCCCCCCC)-c2ccc(c[n+]2[O-])CCCCCCCC	103
+c1cc(ccc1S(=O)(=O)C)Oc2ccc(cc2)[N+]([O-])=O	720
+c1cc(ccc1S(=O)(=O)C)-c2n3nc(S(C)=O)ncc3cc2	172
+CC1(C)Cc2c(c(C)c(C)c(N3CCN(CC3)c4ccc(cc4)S(=O)(=O)C)c2C)O1	2146
+C1CC(CCC1)(N(CC)CC)C(=O)c2ccc(cc2)S(=O)C	357
+c1cc(ccc1S(=O)c2c3NC(Cc3ccc2)=O)Cl	2248
+c1c[n+](ccc1-c2c3c(n[nH]2)-c4c(CC3)cccc4)[O-]	103
+c1cc(ccc1S(=O)C)-c2nc3n(CCC3)c2-c4ccncc4	357
+c1c[n+](ccc1-c2ccnc(Nc3cc(ccc3)OC(F)(F)C(F)F)n2)[O-]	103
+c1c[n+](ccc1C(C)C(c2ccc(F)cc2F)(Cn3ncnc3)O)[O-]	103
+c1cc2nc(sc2cc1Oc3c4c(cccc4)ncc3)S(C)=O	2247
+c1cc(ccc1)-c2c(ccc(c2Cl)Br)S(=O)(=O)C	720
+c1ccccc1-c2c3ncn(C)c3cc(N(C)c4ccnc(n4)S(=O)C)c2	172
+c1cc(ccc1)-c2cc(C(=O)O)c[n+]([O-])c2	103
+c1ccccc1C(CCCCCn2cnc3c[n+](c4c(cccc4)c23)[O-])=O	359
+c1ccccc1C(CCCCCn2c(nc3c2c4c([n+]([O-])c3)cccc4)CCCC)=O	359
+c1ccccc1C(c2cc(S(=O)(=O)C)ncn2)OC	3444
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(F)nc(c4)CCCS(=O)(=O)CC	9074
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(nc(c4)CCCS(CC)=O)F	441
+c1ccccc1C(c2ccccc2)C3OC3	553
+c1ccccc1C(c2ccccc2)N3CC(C3)S(=O)c4ccc(cc4)Cl	357
+O=S1(=O)CCNC(CC12CCCCC2Cc3ccccc3)=O	1547
+c1ccccc1CCCNC(c2c(nc(S(=O)(=O)C)nc2-c3cc(Cl)cc(Cl)c3)C)=O	737
+c1ccccc1COC(=O)NC(C2OC2)CC(C)C	553
+c1ccccc1COc2c(cccc2C3CCCC3)CC4OC4	553
+c1ccccc1COc2c3ncccc3c(cc2Cl)S(=O)(=O)C4CCCC4	720
+c1ccccc1COc2ccc3[n+](cc4c(c3c2)n(C)c(n4)CC)[O-]	359
+c1ccccc1COc2cc3c([n+](cc4nc(COCC)n(CC(C)(C)NS(=O)(=O)C)c34)[O-])cc2	359
+c1ccccc1CS(=O)c2nc(NCc3ccc(c(c3)Cl)OC)c(C(OC)=O)c(n2)N4CCn5c(C4)ncc5	172
+c1cc(ccc1)Oc2c[n+]([O-])c(cc2)C	103
+c1ccccc1S(=O)(=O)Nc2cccc(c2)S(c3cc(C=O)c(cc3)[N+]([O-])=O)=O	2248
+c1cc(ccc1)S(=O)c2c[nH]c3ccccc23	1758
+c1cc(ccc1)S(c2ccc(cc2)Cc3csc(Br)n3)=O	2248
+c1ccccc1[Si](c2ccccc2)(OC3CC(C3)OC(C)=O)C(C)(C)C	4125
+c1cccc(-c2nc(-c3ccc(c(OCC)c3)OCC)sc2)[n+]1[O-]	103
+c1[n+]([O-])cc2ccc(C)c([N+]([O-])=O)c2c1	103
+c1[n+]([O-])cc2cccc(c2c1)Br	103
+c1c[n+](ccc1-c2c(nn(C(C)CC)c2)-c3ccc(s3)Cl)[O-]	103
+C(C)OP(OCC)(CCc1cc[n+](cc1)[O-])=O	103
+O(CC)P(OCC)(=O)Cc1cc[n+](cc1)[O-]	103
+c1n(Cc2ccc3nc(S(=O)C)sc3c2)cnc1Br	2247
+[n+]1(c(C)ccc(c1)C(=O)OC)[O-]	103
+O=S(=O)(C)c1cc2c(ncnc2cc1)NCc3cc4c(OCO4)cc3	2146
+c1nc(ncc1-c2c(cccc2)F)-n3cc(c4ccc(cc34)C(=O)OC)S(C)=O	9075
+n1nc(n(C)c1S(C)=O)-c2ccc3ccccc3c2	172
+n1(c2c[n+](ccc2c(n1)C(=O)N)[O-])CC(=O)N3C4CC4CC3C(NCc5cccc(Cl)c5F)=O	9076
+n1(c2ncccc2nc1)Cc3ccc4nc(S(=O)C)sc4c3	2247
+c1c(OC)c(cc(-c2[n+](cccc2C)[O-])c1)F	103
+c1cc[n+](c(-c2cc(ccc2)OC)c1CC(OC)=O)[O-]	103
+C1=C(C(=C=[N-])[N+](C(C)=C1)=O)C	9077
+Nc1cc(Cl)nc(C)[n+]1[O-]	2758
+n1c(nccc1-c2c(nn3c2cccc3)-c4cc([N+]([O-])=O)ccc4)S(=O)C	172
+c1cc2cc([N+]([O-])=O)ccc2[n+](c1)[O-]	924
+c1c(OCC)cc(c[n+]1[O-])Br	103
+O(c1ccc[n+]([O-])c1)c2cc(ccc2)F	103
+c1c(ccc(-c2[n+](cccc2C(=O)OCC)[O-])c1F)F	103
+n1cccnc1CNC(c2cnc(S(=O)C)nc2NCc3ccc(c(c3)Cl)OC)=O	172
+Clc1cccc(c1)C(O)c2cc(n(c2)C)C(=O)O	9078
+c1cc(ccc1[N+](=O)[O-])-c2occ(-c3cc(Cl)ccc3)n2	9079
+Clc1cccc(C(CC=C)CNC)c1	110
+c1cc(ccc1)S(=O)(=O)N(C)CC(c2cccc(c2)Cl)CC=C	92
+Clc1cccc(C(=O)c2cn(C)c(c2)C(=O)O)c1	787
+c1cc(ccc1Br)C(NC(=O)c2cccc(Cl)c2)C(C3C(CCCC3)C(=O)OC)=O	2895
+c1ncncc1Oc2cc(NC(c3cccc(Cl)c3)=O)cc(c2)Cl	50
+Clc1cccc(C(Nc2cc(c(C)cc2)OCc3c4c(n(C)n3)ncnc4Cl)=O)c1	951
+Clc1cccc(c1)C(O)CO	95
+c1cc(ccc1OCC=2OC=C(C(C=2)=O)O)CC(NCC(O)c3cccc(Cl)c3)C	87
+C1(NC(=O)CS1)=NCc2c(C)cccc2Cl	9080
+O=Cc1cc(C)c(O)c(Cl)c1	502
+Clc1cccc(C=2c3cc(OC)ccc3CCC=2)c1	3039
+Clc1cc(ccc1)C2c3c(ccc(OC)c3)CCC2	3040
+Clc1cccc(c1)C=CC(=O)N2C(CN(CC2)c3nccnc3C#N)C(OC)=O	317
+Clc1cccc(c1)CCc2cc(OC)ccc2C(=O)O	1442
+O=S(=O)(c1c2cccc(OCCCCl)c2n(Cc3cccc(Cl)c3)n1)c4cccc5ccccc45	823
+Clc1cccc(Cn2c(cc3c2nc(SC)nc3Cl)CC)c1	1836
+c1cc(ccc1NC(c2c(c(OCc3cc(Cl)ccc3)ccc2Cl)F)=O)CC(OCC)=O	22
+Clc1cccc(c1)CCc2oc(nc2C(=O)OCC)C	3666
+O=C(OCC)C(=NO)C(CCc1cc(Cl)ccc1)=O	9081
+Clc1cccc(CCNC(C)=O)c1	68
+c1c(cc(Cl)cc1)CCNCc2cc(O)ccc2	42
+FC(F)(F)Oc1ccc(cc1)OCC(NCc2scc(n2)C(=O)NCCc3cc(Cl)ccc3)=O	68
+O=S(=O)(Cl)c1ccc(cc1CCNC(=O)C)Cl	243
+Clc1cccc(CNC(c2ccc(Cl)c(N)c2)=O)c1	14
+O=C(Nc1cc(ccc1C)C(NCc2cccc(Cl)c2)=O)c3cc4cc(OC)c(OC)cc4nc3O	14
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5cc([N+](=O)[O-])c(CNCc6cccc(Cl)c6)cc5c(Br)n4	370
+c1cc(ccc1)COc2cc3cc(C(Nc4cc(C(NCc5cc(ccc5)Cl)=O)ccc4Cl)=O)c(nc3cc2OC)O	246
+Clc1cccc(CNc2cc(n(C)n2)C=O)c1	178
+Clc1cccc(CNc2cc(CO)n(C)n2)c1	398
+Clc1cccc(CNc2nc3n(cc(cc3OC)C(=O)O)n2)c1	6
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)Sc4c5c(ccc4)sc(c5)C(=O)OC	20
+C1CCCC1c2onc(c2CO)-c3c(Cl)cccc3Cl	903
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3cc(c(N)cc3)C	1538
+FC(F)(F)c1nc(OCc2c(nnn2-c3c(cccc3Cl)Cl)C(C)C)ccc1[N+]([O-])=O	2055
+c1c(Cl)c(c(cc1)Cl)Nc2ccccc2CS(=O)(=O)NCCOCCO	230
+Clc1cccc(Cl)c1C(C(O)=O)=O	2249
+Clc1cccc(Cl)c1C(=O)Nc2c(N)cnc(Nc3cc(C)nc(C)n3)c2	13
+c1nc(ncc1)CNC(C(=O)c2c(Cl)cccc2Cl)=O	2754
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=Cc2ccc(cc2)C3(CCOCC3)COC)=O	858
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=Cc2ccc(cc2)Oc3nc(OC)cc(n3)OC)=O	1046
+c1nc(ncc1)N(C)c2ccc(cc2)C=CCC(C(=O)OC)NC(c3c(Cl)cccc3Cl)=O	1046
+Clc1cccc(Cl)c1C(=O)NC(C(=O)O)CC=Cc2ccc(cc2)N(c3ncccn3)C(C)C	4
+c1cc(ccc1CC(NC(=O)c2c(Cl)cccc2Cl)C(=O)O)OCCc3nc(ccc3)NC4CCCC4	4
+c1c(Cl)c(c(cc1)Cl)Cc2[nH]c3c(cccc3)n2	442
+CC(C)c1onc(c1COC)CCc2c(Cl)cccc2Cl	1043
+Clc1cccc(Cl)c1CNc2ccnc(n2)Nc3cnn(c3)CC(=O)NC(CO)C	486
+Clc1cccc(Cl)c1COCCOCCCCCCNCC(O)c2ccc3c(COC(C)(C)O3)c2	2875
+Clc1cccc(Cl)c1COCCOCCCCCCNCC(O)c2ccc(O)c(c2)CO	2937
+c1c(Cl)c(c(cc1)Cl)COc2cc(N)c(N)cc2	0
+Clc1cccc(Cl)c1COc2cc3c(cc2)n(c(C(O)=O)c3)CCCC#N	6
+CC(C)N1C(C2=C(OCc3ccccc3)C(N=C(N2CC1)Cc4c(Cl)cccc4Cl)=O)=O	9082
+c1c(Cl)c(c(cc1)Cl)N=[N+]=[N-]	615
+c1(Cl)cccc(Cl)c1NC(N(C)c2ncnc(Nc3ccc(cc3F)F)c2)=O	1587
+C1COCCN1c2ccc(cc2)Nc3ncnc(c3)N(C)C(Nc4c(Cl)cccc4Cl)=O	1587
+c1c(Cl)c(c(cc1)Cl)NC(=O)Nc2cc3c(cccc3)cc2C(=O)N(Cc4ccccc4)CCC(=O)OCC	124
+c1cc(ccc1)CN2CCC(CC2(C)C)Oc3cccc(n3)Cl	91
+c1sccc1COc2cccc(Cl)n2	91
+Clc1cccc(Cn2c(c(CC(N)=O)c3cc(ccc23)O)CC)c1	5
+Clc1cccc(Cn2c(c(CC(N)=O)c3cc(OC)ccc23)CC)c1	4674
+Clc1cccc(Cn2c(c(CC(NN)=O)c3cc(OC)ccc23)CC)c1	743
+c1cc(ccc1C(Nc2c3ccc(Br)cc3n(c2C(=O)OCC)Cc4cccc(Cl)c4)=O)Cl	660
+Clc1cccc(Cn2c(c(N)c3ccc(cc23)Br)C(=O)OCC)c1	13
+c1c2c(c(n[nH]2)N)c(Cl)cc1	575
+Clc1cc(ccc1)Nc2nc(ncn2)Cl	360
+FC(F)(F)c1nc(ncc1C(OCc2ccccc2)=O)Nc3cccc(Cl)c3	55
+Clc1cc(ccc1)NCCC#N	3041
+Clc1cc(ccc1)Nc2ncc(C(=O)OC)c3n(ccc23)C	1504
+Clc1cc(ccc1)Nc2ccn3c(c(cn3)C=O)n2	3042
+c1cc(ccc1)CSc2n3nccc3nc(Nc4cccc(Cl)c4)c2	3042
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)-c3nnc(Nc4cccc(Cl)c4)cc3	1443
+Clc1cc(ccc1)NC(N)=S	1099
+c1cc(ccc1-c2oc(nn2)Nc3cc(ccc3)Cl)O	9083
+Clc1cccc(OCC(F)CCC2C(CC3C2CC(O3)=O)OC4OCCCC4)c1	1646
+Clc1cccc(Oc2cc(ccc2OC)CO)c1	41
+c1c(OC)c(c(cc1Nc2cncc(Oc3cc(ccc3)Cl)n2)OC)OC	1410
+C1CN(CCC1NC(CSc2cccc(Cl)c2)=O)Cc3ccccc3	4232
+Clc1cccc(c1)C(c2cc(Cl)sc2Br)O	9084
+C1CN(CCO1)CCCOc2ccc3c(n(-c4sc(c(n4)-c5cc(ccc5)Cl)C(N)=O)cn3)c2	267
+Clc1cccc(-c2c(OC)ccc(Cn3cc(nc3)-c4cnccc4)c2F)c1	371
+Clc1cccc(-c2c3c(ccc(C(c4cccc(I)c4)=O)c3)nc(OC)c2)c1	1217
+Clc1cccc(c1)-c2onc3ccc(C(c4n(cnc4)C)(c5cnc(Cl)cc5)O)cc23	9085
+c1(C)cccc(C)c1-n2cc(-c3cc(Cl)ccc3)nc2	1444
+Cc1c(c2n(c(-c3cc(Cl)ccc3)cc(n2)Cl)n1)I	1390
+Clc1cccc(c1)-c2oc3C=CN(c4ccc(c(C)c4)[N+]([O-])=O)C(c3c2)=O	9086
+c1ccccc1COCCC=Cc2ccc3ncn(-c4nc(c(C(=O)OCC)s4)-c5cccc(Cl)c5)c3c2	9087
+O=S(=O)(C)OCCCCc1ccc2ncn(-c3sc(C(=O)OCC)c(n3)-c4cccc(Cl)c4)c2c1	7
+c1cc(ccc1Nc2nc(nc(c2)CC)-c3cc(Cl)ccc3)CC(=O)N	73
+O(C)C(OC)c1cc(Nc2sc(c(-c3cccc(c3)Cl)n2)C(N)=O)c([N+](=O)[O-])cc1	9088
+Clc1cccc(c1)-c2nn3c(C)nnc3c(C)c2	2102
+Clc1cccc(c1)-c2nnn(n2)C(C)CC(NC)=O	9
+c1cc(ccn1)-c2n(c(CC(n3nc(-c4cccc(c4)Cl)nn3)C)nn2)C	9089
+Clc1cccc(c1)-c2oc3C=CN(c4cc5c[nH]nc5cc4)C(c3c2)=O	1559
+Clc1cccc(c1)-c2oc3C=CN(c4ccc(c(C)c4)N)C(c3c2)=O	0
+Clc1cccc(c1)-c2onc(C(C)O)c2	1394
+c1cc(ccc1)COc2cc(-c3n(C)c(nn3)OC(C)c4cc(-c5cccc(Cl)c5)on4)ccn2	9090
+c1cc(ccc1-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C)C(OC)=O	2511
+c1cnccc1-c2nnc(N3CCCCC3c4noc(-c5cccc(Cl)c5)c4)n2C	2511
+Clc1cccc(c1)-c2onc(c2)C=O	178
+Clc1cccc(c1)-c2onc(CO)c2	194
+Clc1cccc(c1)C(=O)c2cc(C(c3n(cnc3)C)(c4cnc(Cl)cc4)O)ccc2N	9091
+Clc1cccc(C2(CCCc3ccc(OC)cc23)O)c1	2157
+c1cc(ccc1C2=C(C(N(N=C2)c3cccc(Cl)c3)=O)Oc4ccc(cc4)F)S(=O)(=O)C	9092
+Clc1cc(ccc1)NC2c3cc(-c4cnn(c4)CCOC)ccc3N(C(C)C2)C(=O)C	250
+FC(F)(F)c1ccc(F)c(-c2c(c(on2)-c3cc(Cl)ccc3)C(=O)c4cccnc4)c1	9093
+c1cc(ccc1C=CC(=O)c2cccc(Cl)c2)Cl	307
+n1cc(cnc1)N(c2cc(NC(c3cc(Cl)ccc3)=O)cc(Cl)c2)C	9094
+Clc1cccc(c1)-c2nnc(c3cccnc23)O	9095
+Clc1cccc(-c2cc(N)n[nH]2)c1	1941
+Clc1cccc(c1)C(Nc2nc3c(o2)c(cc(c3)C(=O)N4C(COC(C)(CC(O)C)C4)C)OC)CF	30
+Clc1cccc(c1)C(Nc2nc3c(o2)c(cc(C(=O)O)c3)OC)CF	1
+Clc1cc(C2CO2)ccc1	9096
+c1cc(ccc1C)S(=O)(=O)OCC(O)c2cccc(Cl)c2	36
+c1ccc2c(C(=O)N(C2=O)C(Cc3ncccc3)c4cccc(Cl)c4)c1	2131
+Clc1cccc(c1)Cc2c(Br)sc(c2)Cl	9097
+Clc1cccc(c1)C2=C(C(N(c3nc(C)ccc23)CC)=O)CCCO	21
+Clc1cccc(c1)C2=C(C(N(c3nc(C)ccc23)CC)=O)CCC(=O)O	3
+O=S(=O)(C)OCCCC1=C(c2ccc(C)nc2N(CC)C1=O)c3cccc(c3)Cl	7
+Clc1cccc(c1)C=CC(=O)N2C(CN(CC2)c3nccnc3C#N)CO	21
+Clc1cccc(c1)C=CC(N2C(CN(CC2)c3nccnc3C#N)C(=O)N)=O	83
+Clc1cccc(c1)C=CC(=O)N2C(C(O)=O)CN(CC2)c3nccnc3C#N	4
+Clc1cccc(c1)C=CC(=O)N2CCN(CC2C#N)c3nccnc3C#N	143
+FC(F)(F)c1n2nc(N3CCN(CC3)Cc4cc(Cl)ccc4)ccc2nn1	48
+Clc1cccc(c1)C(O)Cc2ncccc2	9098
+Clc1cccc(CNCCc2ccc3c(c2)NC(=O)C(C)O3)c1	42
+c1ccccc1S(=O)(=O)NC2CN(c3c(cccc3)C2)Cc4cc(Cl)ccc4	3043
+Clc1cccc(CNc2cc(n(C)n2)C(=O)OC)c1	811
+C1Cc2c(ccc(OC)c2)C(=O)c3c1cc(cc3)Cl	358
+Clc1cccc(c1)CCc2c(C(=O)O)nc(o2)C	6
+Clc1cccc(CSc2nnc(o2)-c3cc4c(occ4)cc3)c1	9099
+Clc1cccc(c1)COc2cc3OC(C=C(CCN)c3cc2)=O	9100
+Clc1cccc(c1)COc2cc3OC(C=C(CC#N)c3cc2)=O	9101
+Clc1cccc(C#Cc2nc(C)ccc2N)c1	129
+Clc1cccc(Oc2cc(C=O)ccc2OC)c1	754
+Clc1cccc(C#CCCCCC(c2ncc(-c3ncccc3)o2)=O)c1	121
+c1ccccc1COc2nnc(C#Cc3cc(Cl)ccc3)cc2OCc4ccccc4	129
+Clc1cc(ccc1)N2C(=O)C=CC=C2	3044
+c1cc(ccc1-c2c3c(nn(C)c3cnc2)N)NC(Nc4cc(ccc4)Cl)=O	124
+c1cc(ccc1NC(Nc2cc(ccc2)Cl)=O)-c3c(-c4ccnc5[nH]ccc45)cn(CC)n3	124
+O=S(=O)(c1cc(ccc1)Cl)c2cc(CC(=O)OC)cc(c2)OC	9102
+O=Cc1n(-c2ncccc2Cl)c(Cl)c(Br)c1	2148
+O1CCOC12CCC(CC2)(O)c3ncccc3Cl	938
+Cc1ccc(cc1-c2cc3nnc(-c4c(cccc4)Cl)n3cc2)C(=O)O	3032
+Cc1c(c(-c2ccc(Cl)cc2F)ccn1)C=O	699
+FC(F)(F)c1ccc(cc1)-c2c3c(sc2C)cc(cc3)OCCN(c4nc(ncc4)C)C	54
+c1cc(ccc1F)-n2ccc3cc(ccc23)OCCCCN(C)c4ccnc(n4)C	54
+FC(F)C1COC(CN1C(=O)c2cc3c(c(c2)OC)oc(NCc4nccc(Cl)c4)n3)(CCO)C	30
+Clc1ccnc(CNc2nc3c(o2)c(cc(c3)C(=O)N4CC(C)OCC4C(O)C)OC)c1	30
+Clc1ccnc(CNc2nc3c(o2)c(cc(C(=O)O)c3)OC)c1	1
+c12cc(-c3cc(ccc3)[N+]([O-])=O)ccc1c(cn2-c4ccnc(n4)SC)Br	2186
+c1cc(ccc1)-c2c3ncn(c3cc(c2)N(c4nc(ncc4)SC)C)Cc5ccccc5	860
+c1cc([N+]([O-])=O)cc(c1)-c2cc3c(cc2)ccn3-c4ccnc(n4)SC	2186
+c1cc(ccc1)-c2cc(nnc2Cl)Nc3ccnc(n3)SC	349
+c1ccccc1-c2c3ncn(C)c3cc(N(C)c4ccnc(SC)n4)c2	860
+c1cc(ccc1Oc2c(cc(cc2)Cl)Nc3ccnc4c3ccc(CCC)n4)C(=O)NCCOC	698
+c1cc(ccc1O)Sc2ccc(C)cc2Nc3ccnc4c3ccc(CCC)n4	698
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3sc(Br)cc3ncc2	680
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(s3)SC	680
+ON=Cc1cc2nccc(Cl)c2s1	9103
+FC(F)(F)c1ccc(Sc2ccc(cc2)NC(=O)C)c(Nc3c4c(ncc3)nc(C)cc4)c1	698
+c1(C)cccc(Sc2c(Nc3c4ccc(nc4ncc3)C)cc(C)cc2)c1	698
+Cc1cc(Nc2ccnc3nc(C)ccc23)c(cc1)Sc4cc(ccc4)NC(C)=O	698
+c1c(cccc1O)Sc2c(cc(C)cc2)Nc3ccnc4nc(C)ccc34	698
+c1cc(ccc1)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	698
+c1cc(ccc1O)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	698
+c1cc(ccc1O)Sc2ccc(OCc3cccc(Br)c3)cc2Nc4ccnc5nc(C)ccc45	698
+C1CC1c2c(Cl)ccnc2	2060
+c1cc2c(sc(NC3C(O)CCCC3)n2)cc1Oc4c(Br)cncc4	242
+c1(c(F)c(ccc1)Nc2c([N+]([O-])=O)cncc2)F	179
+O(CC)P(OCC)(=O)NC1CN(CCC1Cl)c2c([N+]([O-])=O)cncc2	264
+Cc1c(cccc1)-c2c([N+]([O-])=O)cncc2	699
+c1ccccc1COc2ccncc2[N+](=O)[O-]	260
+c1csc(c1Cl)C(NC(C(=O)OC)Cc2ccc(CCCc3ccc4c(n3)NCCC4)cn2)=O	2765
+Clc1cn(nc1)-c2ccc(cc2Cl)C(C)C(NN)=O	743
+c1cc(ccc1C(=O)N)N2CCN(CC2)Cc3nc4c(Cl)cc(Cl)cn4c3	4675
+c1cc(ccc1C(C)(C)C#N)C(=O)Nc2nc3n(cc(Cl)cc3)c2	1351
+Clc1cnc(-c2cc(c(cc2)O)F)cc1	5
+Clc1cnc(-n2c(ccn2)N)c(Cl)c1	4360
+Clc1cnc(c(Cl)c1)-n2c(c([N+]([O-])=O)cn2)NC(CC)=O	1733
+FC(F)(C(=O)OCC)c1ncc(Cl)cc1Cl	1796
+c1cc(ccc1C(OC)=O)-c2c(C)cc(Nc3ncc(Cl)c(Br)c3)c(OC)c2	1759
+Clc1cnc(C(=O)C)c(Cl)c1	9104
+c1cc(ccc1C(NCCc2ncc(cc2Cl)Cl)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	14
+Clc1cnc(c(C(=O)OC)c1)-c2cc(F)ccc2	140
+Clc1c[n+](c(c(C(=O)OC)c1)Cl)[O-]	341
+c1cc(ccc1)COCC(C(=O)Nc2cc(cnc2Cl)Cl)Oc3ccc(c(c3F)C(=O)N)F	308
+NC(=O)C1C(Nc2c(c(N)ncc2Cl)[N+](=O)[O-])C3CC1C=C3	105
+O=S(=O)(NC(C=Cc1c(Oc2ncc(Cl)cc2Cl)cc(OCCOC)cc1)=O)CCCCC	4596
+Clc1cnc(Oc2cc(ccc2C=CC(=O)O)OCCOC)c(Cl)c1	108
+Clc1cnc(Oc2cccc(CO)c2)cc1	41
+CCOP(OCC)(Cc1cc(ccc1)Oc2ncc(cc2)Cl)=O	590
+Clc1c[n+](c(-c2cc(F)ccc2)c(C(=O)OC)c1)[O-]	9105
+Clc1cnc(Oc2cc(ccc2C=CC(OCC)=O)OCCOC)c(Cl)c1	136
+c1cc(ccc1Oc2c(Cl)cc(cn2)Cl)OC(C(=O)N3CCCO3)C	136
+n1cc(Oc2cccnc2)cc(OCCOC)c1[N+]([O-])=O	9106
+c1cc(ccc1)Oc2cnc(c(c2)OCCOC)[N+](=O)[O-]	9107
+Clc1cnc(-c2cc(c(cc2)OC)F)cc1	119
+Clc1cnc(cc1)CO	398
+Clc1cnc(cc1)C(Nc2ccc(c(c2)C34NC(=N)COCC3C4)F)=O	2518
+Clc1cnc(cc1)C(Nc2nc(C3(CF)COCC(=S)N3)ccc2)=O	199
+c1cc(cc[n+]1[O-])OCc2ncc(Cl)cc2	1210
+Clc1cnc(cc1)COc2ccnc(O)c2	3045
+Clc1cnc(cc1)COc2ccnc(O)c2	9108
+Clc1cnc(Oc2cccc(C=O)c2)cc1	136
+c1cc(ccc1)-c2ccc(cn2)Cl	140
+Nc1ncc(Cl)cc1I	583
+c1c(ccc(NC(c2c(cccc2)[N+]([O-])=O)=O)n1)Cl	330
+c1ccccc1C2CCCN(C2=O)CC(=O)Nc3ccc(cn3)Cl	142
+n1c(Br)cc(-c2c(nc3n2cc(Cl)cc3)-c4nc(ccc4)C)cc1	9109
+c1ccccc1C(=O)Nc2ccccc2OCC(O)CN3CC(CC3)Oc4ncc(Cl)cc4	170
+c1([N+]([O-])=O)cc(c(OC)cc1F)Nc2nc(-c3cnn4ccccc34)c(Cl)cn2	55
+n1c(Nc2c(ccc([N+]([O-])=O)c2)C(NC)=O)c(Cl)cnc1Cl	73
+n1c(Nc2cc(C)[nH]n2)c(Cl)cnc1Cl	349
+CC(C)S(=O)(=O)c1c(Nc2c(cnc(n2)Cl)Cl)cc(cc1)C=C	73
+O=S(=O)(N(C)c1c(cc(Br)cc1)Nc2nc(ncc2Cl)Cl)C	73
+O=S(=O)(NCC(Nc1c(cnc(n1)Cl)Cl)C)C	40
+Clc1cnc(nc1SC)Cl	2147
+[N+]([O-])(=O)c1c(cccc1)Oc2nc(ncc2Cl)Cl	185
+n1c(Nc2c(C(NCC)=O)cccc2F)c(Cl)cnc1Cl	73
+c1(c(Nc2c(cccc2)C(=O)NC)nc(nc1)Cl)Cl	73
+c1cc(ccc1)Nc2nc(ncc2Cl)Cl	73
+c1ccc2c(c1)C(=O)N(C2=O)C3COC4C(COC34)Nc5nc(ncc5Cl)Cl	40
+Clc1cnc2ccc(C(Cl)=NO)cc2c1	761
+Clc1cnc2ccc(C=NO)cc2c1	135
+Clc1cnc2nc(NCCO)c(nc2c1)NN	1386
+Clc1cnc2c(c1)n3c(c(NCCO)n2)nnc3	2825
+CC(C)c1nn2c(ccc(C(=O)Nc3c(Cl)cncc3Cl)c2c1)OC	9110
+Clc1cncc(Cl)c1NC(c2ccc(c3oc4ccncc4c23)OC(F)F)=O	9111
+c1c(Cl)c(c(cn1)Cl)NC(c2cccc(C#N)c2)=O	67
+Clc1cncc(Cl)c1NC(c2c3cc(C=O)nn3c(cc2)OC)=O	178
+Clc1cncc(Cl)c1NC(=O)c2ccc(OC)n3nc(cc23)C#N	4676
+Clc1cncc(Cl)c1NC(=O)c2c3n(c(cc2)OC)nc(CO)c3	168
+Clc1cncc(Cl)c1NC(=O)c2c3n(nc(C=NO)c3)c(OC)cc2	688
+Clc1cncc(Cl)c1Sc2c([N+]([O-])=O)cc(s2)C(OC)=O	4539
+Clc1cncc(Cl)c1Sc2c([N+]([O-])=O)cc(C(O)=O)s2	1
+c1cc(ccc1)CN2C(C(=C(Cl)C=N2)Cl)=O	9112
+C1CC(CCN1c2c(ccc(C)n2)C#N)=CC#Cc3cc(F)cc(F)c3	43
+c1(nc(C)ccc1C#N)N	664
+[nH]1nc2c(cnc(C)n2)c1	9113
+FC(F)(F)c1cc(Nc2nc(Cl)nc(Cl)n2)ccc1F	360
+FC(F)(F)c1c(CNC(C2CCN(CC2)c3nc(Cl)nc(n3)Cl)=O)cccc1	436
+c1(Cl)nc(nc(Cl)n1)Nc2cc(Cl)c(F)cc2	360
+c1(Cl)nc(nc(Cl)n1)NC2C(OC)Cc3c2cccc3	387
+Clc1nc(nc(Cl)n1)Nc2ncn(CCc3ccccc3)c2	3555
+c1cc(ccc1)COc2nc(Cl)nc(Cl)n2	2221
+c1(Cl)nc(nc(Cl)n1)N(C)c2ccccc2	3036
+c1cc(ccc1C(OC)=O)CNc2nc(Cl)nc(n2)Cl	387
+c1cc(ccc1N(C)CCOc2nc(Cl)nc(n2)Cl)-c3sc4c(cccc4)n3	2221
+c1(Cl)nc(nc(Cl)n1)Nc2ccc(NC(C)=O)c(OCc3ccccc3)c2	360
+c1(Cl)nc(nc(Cl)n1)Nc2ccc(OCc3ccccc3)c(Cl)c2	360
+Clc1ncc(Br)c(Nc2n[nH]c(C)c2)n1	349
+Clc1ncc(Br)c(O)n1	1173
+c1(cc(C(c2cnc(nc2Cl)Cl)O)ccc1)Br	4677
+n1c(NCCCNC(Nc2cc([N+]([O-])=O)ccc2)=O)c(cnc1Cl)Br	40
+c1ccccc1C(C)Nc2c(cnc(Cl)n2)Br	40
+C1CN(CCC1Nc2c(Br)cnc(Cl)n2)Cc3ccccc3	40
+c1c2c([nH]cc2-c3nc(ncc3C)Cl)ccc1	4678
+Clc1ncc(F)c(O)n1	1173
+c1(cc2c(OCCO2)cc1)Nc3c(F)cnc(Cl)n3	73
+c1(cc(c(F)cc1-c2c(F)cnc(n2)Cl)F)F	198
+Clc1ncc(F)c(C)n1	9114
+c1cc(N)c(Nc2c(F)cnc(n2)Cl)cc1	73
+C1CCC1N(CC(F)(F)C(=O)OCC)c2c(cnc(Cl)n2)[N+]([O-])=O	54
+C1CCCC1N(CC(F)(F)C(=O)OCC)c2c(cnc(Cl)n2)[N+]([O-])=O	54
+Nc1c(cnc(Cl)n1)[N+](=O)[O-]	266
+Clc1ncc(c(NC)n1)[N+](=O)[O-]	40
+O=S(=O)(c1ccccc1Nc2c(cnc(n2)Cl)[N+](=O)[O-])NC	73
+c1cc(ccc1Nc2c(cnc(Cl)n2)[N+](=O)[O-])I	73
+c1cc(ccc1OCC)Nc2c(cnc(Cl)n2)[N+](=O)[O-]	73
+c1cc(ccc1Nc2c(cnc(Cl)n2)[N+](=O)[O-])OC	73
+c1cc(nc(c1)Cl)N(c2ccnc(n2)Cl)C	9115
+Nc1cc(nc(SC(c2ncc3c(c2)cccc3)C)n1)Cl	9116
+c1c2nc(C(=O)OCC)cn2c(Cl)cc1	1959
+O(c1c(OC)ccc(c1)-c2ccnc(n2)N)C	511
+n1c(C)nc(Cl)cc1N	266
+c1(Oc2nc(C)nc(Cl)c2)cc3OC(Nc3c(C)c1)=O	185
+c1(cc(F)ccc1)-c2cc(Cl)nc(n2)C	198
+O=S(=O)(NC)Cc1ccc(cc1)Oc2nc(nc(c2)Cl)C	185
+c1(nc(nc(Cl)c1)-n2c3cccc(c3nc2C(F)F)OC)Cl	1098
+n1c(nc(cc1Nc2cc3c[nH]nc3cc2)Cl)Cl	73
+c1ccccc1C=Cc2cc(Cl)nc(Cl)n2	4679
+c1(cc(Cl)c(F)cc1)-c2cc(nc(Cl)n2)Cl	198
+c1cc(ccc1)-c2cc(nc(Cl)n2)Cl	198
+c1(Cl)nc(nc(Cl)c1)Nc2ccccc2	55
+c1cc(ccc1C(C)Nc2nc(Cl)cc(n2)Cl)F	96
+c12c3ccccc3n(c1cccc2)-c4nc(Cl)cc(n4)Cl	9117
+c1(ncc(cc1C)C(=O)OCC)N2CCN(C(C)C2)c3cc(nc(N4C(C)CCC4)n3)Cl	54
+c1cc(ccc1-c2cc(Cl)nc(N3CCCC3C)n2)F	198
+O=S(=O)(C)c1nc(cc(N2CC3CC2CO3)n1)Cl	54
+c1(cc(cc(F)c1-c2c(Cl)nc(nc2Cl)-n3ccnc3)F)F	937
+c1cc(ccc1Br)N2CCOc3nc(nc(Cl)c3C2=O)C	145
+c1cc(ccn1)CN2c3c(CC2=O)c(Cl)nc(N)n3	9118
+n1c(nc(c(F)c1Nc2cc(C)[nH]n2)Cl)Cl	349
+N(c1nc(nc(Cl)c1N)N)C2CCOc3c(F)cccc23	40
+C1CC1c2nc(Cl)c(c(NS(=O)(=O)c3ncc(cc3)C(C)C)n2)Oc4c(cccc4)OC	570
+Cc1nc(Cl)nc(N)n1	1342
+S(c1nc(C)nc(Cl)n1)C	9119
+c1(cc(cc(Cl)c1)Nc2nc(NC)nc(n2)Cl)Cl	360
+C1CC1Nc2nc(nc(Cl)n2)N	1342
+c1nc(ncc1F)C(Nc2nc(Cl)nc(Nc3ncn(CC#N)c3)n2)C	387
+c1cc(ccc1)CCn2cc(nc2)Nc3nc(NC(c4ncc(cn4)F)C)nc(n3)Cl	387
+c1(-n2cc(nc2)CO)c(cc(cc1)Nc3nc(nc(Cl)n3)OC)OC	360
+c1(c(c(nc(SC)n1)N)C#N)NC(C)c2nc3c(cc2-c4cscn4)n(cc3)C	40
+c1cc(ccc1Cl)Nc2nc(Cl)nc3n(cnc23)CC	1545
+C1CCCC(n2c3nc(nc(Cl)c3cn2)Cl)O1	1846
+Clc1c(cc2ccccc2n1)C(Nc3ccc(C(OC)=O)nc3)=O	1549
+n1cc(cnc1C(C)Nc2nc(c(Br)cn2)Nc3n[nH]c(C)c3)F	3927
+c1cc(ccc1Nc2ncc(c(n2)O)Br)SC	55
+CC(C)(c1nc(ncc1F)Cl)O	9120
+Brc1c(cccc1)CN2C(=NC=C(F)C2=O)Cl	9121
+OC(CN=[N+]=[N-])Cn1c(Cl)nc(c1)[N+](=O)[O-]	2930
+Nc1c(NC)nc(Cl)nc1	193
+Nc1c(O)nc(Cl)nc1	193
+n1cccnc1N2CCN(CC2)c3ncc(c(SCC(OC)=O)n3)[N+](=O)[O-]	117
+c1c(N)cc(-c2c3c(sc2)cnc(Cl)n3)cc1	4680
+c12c(scc1C(Nc3ccc4c(n3)ccnc4)=O)cnc(Cl)n2	9122
+Ic1[nH]nc2c1cnc(Cl)c2	4667
+C1CCCC(n2c3c(cnc(Cl)c3)cn2)O1	580
+COc1cc(cc(OC)c1)-c2ncc3c([nH]nc3)c2	1165
+FC(F)Cn1ncc(Nc2ncc3c([nH]nc3)n2)c1	486
+C(c1cccc([N+]([O-])=O)c1)n2ncc3cnc(nc23)Cl	1485
+COc1cc(ccc1-c2cc(Cl)ncc2)F	835
+c1(c(F)c(ccc1)-c2cc(Cl)ncc2)F	835
+c1ccccc1C(C)Nc2cc(ccn2)Br	70
+c1cc(ccc1C2N(c3ccnc(c3)Cl)CCC2)F	1465
+Clc1nccc(CO)c1	611
+FC(F)(F)c1ccc(O)c(NC(c2cc(Cl)ncc2)=O)c1	67
+FC(F)(F)c1cccc(CNC(c2cc(ncc2)Cl)=O)c1	14
+FC(F)(F)c1cnc(Nc2nccc(c2)C(O)=O)cc1	346
+c1c(F)c(F)cc2CCN(C(c3ccnc(c3)Cl)=O)c12	610
+NC(=S)NNC(c1ccnc(Cl)c1)=O	3046
+c1(cc(Cl)ncc1)-c2nc3c([nH]2)ncc([N+]([O-])=O)c3	2245
+NNc1nccc(C)c1	383
+c1cc(ccc1C(Cc2cc(Cl)ncc2)=O)F	9123
+Fc1cccc(F)c1S(=O)(=O)Nc2cc(ccc2F)C(Cc3nc(Cl)ncc3)=O	1501
+n1ccc(nc1Nc2cc(Br)cc(C)c2)C	55
+c1c(F)c(c(cc1)F)C(Nc2cccc(C(Cc3ccnc(Cl)n3)=O)c2)=O	1501
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2cccc(c2F)C(=O)Cc3ccnc(n3)Cl	4559
+c1cc(ccc1F)OCc2cc(ncc2)Cl	20
+c1cc(ccc1)C2=NN(CCNc3cc(ncc3)Cl)C(=O)C=C2	3441
+N1(CCNC1=O)c2ccnc(Cl)c2	1760
+O(c1cc(c([N+]([O-])=O)cc1F)F)c2ccnc(c2)Cl	46
+O(c1ccnc(Cl)c1)c2cnc(cc2)[N+]([O-])=O	706
+FC(F)(F)Oc1ccc(cc1)Cc2nccc(C(OC)=O)c2	9124
+c1(cc(c(F)cc1)C#N)-c2cc(ccn2)C(=O)OC	4681
+c1ccccc1COc2ccc(-c3nccc(C(OC)=O)c3)cc2C#N	4681
+CC(C)COc1ccc(cc1C#N)-c2nccc(C(OC)=O)c2	140
+O=S(=O)(C)C1CN(c2cc(C)nn2-c3cc(Cl)ncc3)C(C1)C(=O)OC	4682
+c1ccccc1S(=O)(=O)C2CN(c3n(nc(C)c3)-c4cc(Cl)ncc4)C(C2)C(=O)OC	4682
+c1c(Oc2ccnc(Cl)c2)c(F)cc(N)c1	3511
+c1c2CCC(Cc2ccc1C(=O)OC)Oc3ccnc(Cl)c3	1895
+c1ccccc1COc2cc(Cl)ncc2	1895
+c1(NC(C)=O)c2[nH]ccc2ccn1	9125
+c1ccccc1C(c2ncccc2)C#N	9126
+n1c(Br)n2c(c(N)ncc2)c1Br	522
+C1(N(c2c(F)c(ncn2)Cl)CC(C)CCC1)C	54
+FC(F)(F)c1c(CNC(=O)C2CCN(CC2)c3ncnc(Cl)n3)cccc1	436
+c1c(OC)c(c(cc1Nc2nc(Cl)ncn2)OC)OC	360
+O=S(=O)(Cc1cccc(Nc2nc(Cl)ncn2)c1)C	360
+O=S(=O)(Cc1cccc(c1)Nc2nc(Cl)ncn2)N	360
+S(C)(Cc1cccc(c1)Nc2nc(ncn2)Cl)(=O)=NC(OCC)=O	360
+c1c(ncnc1N)-c2ccc(cc2OC)F	198
+Nc1cc(ncn1)-c2c(cccc2)OC	198
+Nc1cc(ncn1)-c2ccccc2OCC	198
+c12cc(Oc3ncnc(N)c3)ccc1[nH]cc2	185
+c1ccccc1Oc2ncnc(N)c2	185
+O1C(=O)Nc2ncc(C=CC(=O)N(C)Cc3c4ccccc4n(C)c3)cc12	9127
+O=C1c2ccccc2C(=O)N1CCCCN(C3c4c(CCC3)cccn4)Cc5nc6ccccc6n5C	566
+n1(C)c(C(c2c(c(Cl)c(c(c2)OC)OC)Cl)O)ccn1	4586
+O=S(=O)(Cl)c1cnn(c1)C	9128
+C1Cc2c(-c3c1c(sc3OCC)C(=O)O)n(C)nc2	6
+FC(F)(F)c1cc(nc(c1)F)C#N	2250
+O(c1c(ncc(F)n1)C(=O)N)C	9129
+c1cc(ccc1)COCC(c2c(cc(Br)cc2)C)CF	2831
+O=S(=O)(c1cc(ccc1Cl)[N+]([O-])=O)F	4683
+O1C(N(c2ccnc(F)n2)C(C(C)F)C1)=O	9130
+c1(Br)c(Cl)ccc(F)n1	3574
+c1(c([N+]([O-])=O)cc(C)c(F)c1)OC	9131
+c1(c(c([N+]([O-])=O)ccc1)F)C	9132
+n1c(c(ccc1F)[N+]([O-])=O)C#N	2250
+c1c(cc2c(F)c(cnc2c1)-c3cnn(C)c3)Br	4356
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(COCCCCCCCCCCCCCCCC)CF	2831
+c1cc(ccc1-c2ccc(CCCCCCCC)c(n2)F)OCCCCCCCC	2250
+c1ccccc1C(CF)C	9133
+c1cc(ccc1-c2nc3ccccc3c(F)c2)N	9134
+c1cc(ccc1S(=O)(=O)C(c2cc(ccc2F)F)CCCCF)Cl	9135
+O=S(=O)(c1ccc(cc1)CC(O)=O)F	4683
+O=S(=O)(CCCCCCCc1ccc(cc1)OCc2ccccc2)F	9136
+n1cc(c2cc(OC)c(cc2c1F)F)OC	2250
+FC(F)(c1c(cc(c(C)c1)NC(=O)C)F)C(=O)OCC	4433
+FC(F)(c1ccc(cn1)C)C(=O)OCC	1796
+c1ccccc1CC(C(C(F)(F)C(=O)OCC)O)NC(=O)OCc2ccccc2	9137
+FC(F)(C(=O)OCC)c1ccccn1	1796
+FC(F)(c1ccccc1)CNc2ccc(c(CCO)c2F)Cl	15
+FC(F)(F)c1cc(OC(F)F)nc2n3c(ccc12)nc(-c4ocnn4)c3	9138
+FC(F)(F)c1cc(c(cc1)F)OC(F)F	824
+FC(F)Oc1c(cc(C=O)cc1)C	824
+FC(F)Oc1c(OC)cc(cc1)C=O	824
+FC(F)Oc1c([N+]([O-])=O)ccc(c1)F	824
+FC(F)Oc1ccc(cc1C)Br	824
+FC(F)Oc1ccc(Br)cc1CCO	824
+FC(F)Oc1c(F)cc(cc1)Br	824
+FC(F)Oc1cnc(Br)cc1	9139
+c1cc(ccc1-c2nc3ccc(COc4ccc(cc4)C(CC(=O)OCC)C#CC)cn3n2)OC(F)F	824
+FC(F)Oc1cc(OC)c([N+](=O)[O-])c(c1)-n2cc(C)nc2Br	824
+FC(F)OCCCc1cc(cc(c1C)Br)C(OC)=O	4684
+c1cc(ccc1)C(N2C(=O)c3c(cccc3)C2=O)COC(F)F	4684
+c1ccccc1CN(Cc2ccccc2)C(COC(F)F)C(=O)OC	9140
+FC(F)(OC)C(F)(F)C(=O)N	327
+FC(F)(c1ncccc1)CO	44
+FC(F)(CO)c1ncc(C)cc1F	44
+FC(F)(CO)c1ncc(cc1Cl)Cl	44
+FC(F)(C(C)=C)CCCCCCCCCCCCCCCC	9141
+FC(F)(CCO)C(C)(C)OC(C)OCC	59
+FC(F)(C(F)(F)Cl)c1ccc(cc1)NC(c2cnc(N3CCC(O)C3)c(c2)-c4ccn[nH]4)=O	747
+FC(F)(C(F)Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1O	26
+FC(F)(C(F)Cl)C(=O)Nc1c(cc(cc1)N)O	0
+FC(F)(COc1ccc(cc1)C=O)C(F)F	57
+FC(F)(Oc1cc(ccc1)Nc2nccc(n2)-c3ccnc(C#N)c3)C(F)F	4685
+FC(F)(c1nc(O)c2ccccc2n1)c3ncc(F)cc3	1677
+FC(F)(C(=O)Nc1cc(ccc1)OC(C(=O)O)CCCCCCCCCCCC)C(F)Cl	3
+FC(F)(c1ccc(F)c2ccccc12)C(=O)Nc3c(F)c(c(cc3)N)CCO	59
+c1ccccc1CCCN2CC(F)(F)C(Nc3cnc(nc23)Cl)=O	1622
+FC(F)(C)c1n(c(nn1)C)C2CCN(CC2)Cc3ccccc3	3762
+FC(F)(C)C(=O)NC(C)C(Oc1cc2c(n(-c3cc(Br)ccc3)nc2)cc1)c4ccc(OC)nc4	9
+c1cc(ccc1-n2ncc3cc(ccc23)OC(c4cccc(OC)c4)C(NC(=O)C(F)(F)C)C)Cl	9
+FC(F)(CNCCO)C	15
+FC(F)(C=CC(O)=O)C	108
+C1CC2(CC2)CCN1C(=O)NC(CC(F)(F)C)C(O)=O	4
+FC(F)(C)COc1ncc(cc1C)CN2Cc3c(ccnc3Cl)C2=O	3047
+FC(F)(C)COc1c(cc(cn1)CN)C	45
+FC(F)(C)COc1c(cncn1)CN	9142
+FC(F)(C)c1cc(c(C(=O)OC)cc1I)N	184
+FC(F)(C)c1n(C2CCNCC2)c(nn1)C	25
+FC(F)(c1nn2cc(nc2s1)C(Nc3c([N+]([O-])=O)cccc3O)=O)C	9143
+FC(F)(C)c1sc2nc(cn2n1)C(=O)O	6
+FC(F)(SCC)C(Cn1cncn1)(O)c2c(F)cc(cc2)F	1377
+FC(F)(CCC(=O)O)Cl	3
+FC(F)(CCOS(=O)(=O)c1ccc(cc1)C)C(C)(C)OC(OCC)C	36
+FC(F)(C(C)(C)OC(C)OCC)CCI	1319
+FC(F)(c1ccc(C)cn1)CN=[N+]=[N-]	1445
+c1cc(ccc1-c2n(-c3c(Cl)cccc3)nc(c2OC(=O)C)C(=O)N(CCO)CC(F)(F)C)Cl	147
+FC(F)(CNc1c(F)c(c(cc1)Cl)CC=O)c2ccc(c3ccccc23)F	24
+FC(F)(CNc1ccc(C#N)c(CC(=O)O)c1F)c2ccc(cn2)C	3
+FC(F)(C)COc1ncncc1C#N	145
+c1cc(ccc1)C(NC(NC2(c3c(OCC24CC4)ccc(Br)c3)C(F)(F)CO)=S)=O	1993
+c1cc(ccc1)COCC(F)(F)CO	149
+FC(F)(F)S(=O)(=O)OCC(F)(F)c1ncc(cc1F)C	1932
+FC(F)(c1ncc(Cl)cc1Cl)CN	9144
+FC(F)(COc1ccc(cc1)CN2CC3N(CC2C3)Cc4ccc(cc4)C(=O)OC)C(F)F	48
+c1cc(ccc1C(=O)O)CN2C3CC(N(Cc4ccc(cc4)OCC(F)(F)C(F)F)C3)C2	1
+FC(F)Oc1ccc(-c2n3nc(C)c(-n4nc(C)nc4C)c3oc2C)c(c1)C	9145
+FC(F)(c1c(Cl)cc(C(OC)=O)c(O)n1)Cl	395
+FC(F)(F)C(c1cc(C)c(c(C)c1)NC(c2cccc([N+]([O-])=O)c2)=O)=C	50
+FC(F)(F)C(=C)c1cc(C)c(c(C)c1)NC(=O)c2cccc(c2)NC(=O)c3c(C)cccc3	67
+FC(F)(F)C1(CC(=NO1)c2cc3c(cccc3Cl)s2)c4cc(Cl)cc(Cl)c4	3048
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c4CCCCc4c(C(OC)=O)s3)C1	3048
+FC(F)(F)C=1NC(N(C(C=1)=O)c2c(F)cc(c(OCC)c2)Br)=O	4686
+FC(F)(F)C=1NC(N(c2c(c(N)c(Cl)cc2F)OC)C(=O)C=1)=O	4686
+FC(F)(F)C1=CC(N(C(=O)N1)c2ccc3c(c(ns3)-c4cc(C)c(OC)cc4)c2)=O	2375
+FC(F)(F)C1(ON=C(C1)c2sc(c3c2CCC3)C(OC)=O)c4cc(Cl)c(c(Cl)c4)F	3048
+FC(F)(F)C(Cl)=CC1C(C)(C)C1C(=O)OCc2c(c(F)nc(c2Cl)F)Cl	204
+FC(F)(F)C(=Cc1cc(c(cc1)C(O)=O)C)C	6
+FC(F)(F)C(C=Cc1ccc(cc1)O)=O	964
+FC(F)(F)c1nc(c(-c2ccc(cc2)F)nc1)O	2989
+FC(F)(F)c1c(C)c(ncn1)O	9146
+FC(F)(F)c1nc2c(N)cccn2c1	9147
+FC(F)(F)C1(CN(c2ccc(cc2)S(=O)(=O)C)C(c3ccccc3)=N1)O	9148
+FC(F)(F)C1(CN(C(c2ccc(cc2)C)=N1)c3ccc(cc3)S(=O)(=O)C)O	4687
+FC(F)(F)C1(O)N=C(N(c2ccc(cc2)S(=O)(=O)C)C1)c3cc(Cl)c(C)cc3	4687
+FC(F)(F)c1nc(sc1)C(NC(=O)OCc2ccccc2)C	9149
+FC(F)(F)c1nc2cnccn2c1	9150
+FC(F)(F)c1n[nH]c(C)c1	4688
+FC(F)(F)C(c1c(-c2ccccc2)c3c(sc(Cl)c3)nc1C)=O	4005
+FC(F)(F)c1nn(-c2ccc(cc2)CCO)c(C)c1	9151
+FC(F)(F)c1cc(C2CC2)n[nH]1	4688
+FC(F)(F)c1c(C(=O)OCC)cc2ccc(C(F)(F)F)nc2n1	9152
+FC(F)(F)c1cc(nc2nc(N)ccc12)O	9153
+FC(F)(F)c1cc(nc2c(C(=O)OC)cnn12)-c3ccc(cc3)OC	9154
+FC(F)(F)c1cc(-c2ccc(cc2)C)n(-c3ccc(F)c(Cl)c3)n1	2251
+FC(F)(F)C(N(C1CCC(CC1)=O)C(C)c2ccccc2)=O	97
+N(C)c1ccc2nc(oc2c1)C	1761
+FC(F)(F)C(=O)N(Cc1ccnc2ccccc12)C3CC(Cc4ccccc4)N(CC3)C(=O)c5c(cccc5Cl)Cl	115
+C1CC1NC2CCN(CC2)C(OC3(CC3)C)=O	318
+C1C(CCCN1CCN2C(=O)C=Cc3ncc(F)cc23)CNCc4ncc5c(OCCO5)c4	318
+FC(F)(F)C(N(CC1CNCCC1)Cc2cc3c(cn2)OCCO3)=O	2
+c1(cccc(Cl)c1C(=O)N2C(Cc3ccccc3)CC(NCc4ccnc5c4cccc5)CC2)Cl	318
+FC(F)(F)C(=O)N(c1cc([N+](=O)[O-])ccc1C(=O)Nc2c3c(n[nH]2)ccc(Cc4cc(F)cc(c4)F)c3)C5CCOCC5	650
+FC(F)(F)C(N(c1c(C(=O)Nc2c3c(n[nH]2)ccc(Cc4cc(F)cc(c4)F)c3)ccc(N)c1)C5CCOCC5)=O	0
+FC(F)(F)C(=O)N(c1cc2OCC(CC(OC)=O)c2cc1)C3CCc4c(Nc5cc(ccc5N)F)cccc34	0
+c1cc(ccc1NC)C#CCCCO	1761
+N#Cc1c(NC)cccc1	1761
+FC(F)(F)C(N1C2CC(CC1CC2)C3c4ccccc4Oc5c3ccc(c5)Br)=O	4689
+C1C2CCC(CC1c3ccnc4n3nc(-c5ccncc5)c4I)N2	318
+CC1c2c(CCNC1)cc(OCC=C)c(c2)Br	318
+FC(F)(F)C(N1CCc2cc(O)c(cc2C(C)C1)Br)=O	5
+FC(F)(F)c1oc(cc1)COc2ccc(Br)cc2CC3CNC3	318
+FC(F)(F)C(N1CC(C1)Cc2cc(ccc2O)Br)=O	5
+FC(F)(F)C(N1CCCC(C1)c2c(NC(OCC)=O)c([N+]([O-])=O)ccc2)=O	2166
+FC(F)(F)C(=O)N1CC(c2cccc3[nH]cc(Cl)c23)CCC1	573
+C1CC2(CCN1Cc3cccc(CCO)c3F)CNCCO2	318
+FC(F)(F)C(N1CCC(CC1)NCc2ccc(cc2)F)=O	87
+FC(F)(F)C(N1CCC(CC1)NCc2ccc(cc2)Cl)=O	87
+C1CNCCC1C2=NCCc3cc(OC)ccc23	318
+FC(F)(F)CN1CCC(CC1)c2ccc(cc2)[N+]([O-])=O	9155
+FC(F)(F)C(=O)N1CCN(C(=O)C1)c2ccc(cc2)S(=O)(=O)Nc3sccn3	1140
+O=S(=O)(c1ccc(cc1)N2C(CNCC2)=O)Nc3sccn3	9156
+C1CN(CCN1)C(=O)c2sccn2	318
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCN(CC4)C(C(F)(F)F)=O	1499
+O=S(=O)(c1ccc(cc1)N2N=C(c3cc4c(cc3)CCNCC4)C=CC2=O)C	318
+O(c1cccc(OC)c1)Cc2cc3CCNCCc3cc2	318
+N1Cc2cc(ccc2CC1)CC(OC)=O	318
+FC(F)(F)C(N1CCc2c(CC1)ccc(c2)Oc3ncc(C(N)=O)cc3)=O	136
+FC(F)(F)C(N1CCc2c(CC1)cc(cc2)[N+]([O-])=O)=O	77
+FC(F)(F)C(=O)N1c2ccc(Br)cc2NCC1C	2252
+FC(F)(F)C(=O)N1C(C)CN(c2c1ccc(c2)Br)C(=O)c3c(F)cccc3	448
+C1CN(CCS1(=O)=N)c2ncc(cc2)C#N	4690
+FC(F)(F)C(=O)NC(C(NCCCC#Cc1ccccc1N)=O)CC	121
+c1c2ccccc2n(c1CCCNC(C(N)CC)=O)C	4691
+FC(F)(F)C(NC(C)Cc1cc(OC)ccc1OC)=O	165
+FC(F)(F)C(=O)NC(C(NCCCc1[nH]c2c(c1)cccc2)=O)CC	2112
+c1([nH]c2c(c1)cccc2)CCCNC(C(N)CC)=O	4691
+O=S(=O)(Nc1c(OCc2ccccc2)ccc(C(C(N)C)O)c1)C	399
+FC(F)(F)C(=O)NC(C(O)c1cc(NS(=O)(=O)C)c(cc1)OCc2ccccc2)C	80
+FC(F)(F)C(NC(C)Cc1ccc(cc1)Sc2ccc(cc2)OC)=O	826
+c1ccccc1C(N)COCC=C	399
+FC(F)(F)C(=O)NC1CCCN2C1c3c(cc(cc3)F)Oc4cc(c(cc24)C#N)F	180
+FC(F)(F)C(NC1CCN(CCC1)c2n(ncc2[N+](=O)[O-])CC(F)F)=O	959
+c1cc(ccc1Cl)NS(=O)(=O)c2ccc(c3CC(COc23)N)OC	399
+FC(F)(F)C(=O)NC1COc2c(ccc(OC)c2C1)S(=O)(=O)Nc3ccc(cc3)Cl	69
+FC(F)(F)C(=O)NC1Cc2c(cc(c(CC)c2)CC)C1	165
+c1cc2c(C(CCC2O)N)cc1F	399
+FC(F)(F)C(=O)NCC#Cc1cc(ccc1)N	0
+FC(F)(F)C(NCC1C2C(CC(C)C2)CN1)=O	2
+CC(C)(C)OC(N1C(CN)CCC(C)(C)C1)=O	399
+FC(F)(F)C(=O)NCC1CCC(CC1)Nc2c3cc(OC)ccc3nc(n2)C=Cc4ncccc4	40
+FC(F)(F)C(=O)NCC1CCC(CC1)N	12
+C1CC(CCC1Nc2c3cc(OC)ccc3nc(n2)C=Cc4ncccc4)CN	399
+C1CC2C(N(C(=O)c3nc(N)sc3-c4cc(F)ccc4)C1C2)CN	399
+C1C2C(CC(C)C2)C(CN)N1C(=O)c3nc(C)sc3-c4cc(C)ccc4	399
+c1cc(ccc1)COC(N2CC(OCC2)CN)=O	399
+FC(F)(F)C(NCC1CN(CCO1)Cc2ccc(Cl)c(Cl)c2)=O	171
+FC(F)(F)C(=O)NCC1OCCN(C1)C(=O)OCc2ccccc2	66
+C1CC2CN(CC1N2CCCCN)c3ccc(cc3)Cl	399
+C(CN(CCCCCCC(OCC)=O)C)N	399
+CC(C)(C)OC(NCCN(CCN=[N+]=[N-])CCN)=O	399
+FC(F)(F)C(=O)NCCN(C)CCCCCCC(OCC)=O	28
+FC(F)(F)C(=O)NCCN(CCN=[N+]=[N-])CCNC(OC(C)(C)C)=O	123
+FC(F)(F)C(=O)NCCc1nc(-c2ccc(cc2)C#N)oc1	160
+c1cc(ccc1C#N)-c2occ(n2)CCN	399
+FC(F)(F)C(=O)NCc1cc(c(cc1F)Cl)C=2NN(c3cc(c(cc3)C)Cl)C(=O)N=2	9157
+FC(F)(F)C(=O)NCc1cc(c(Cl)cc1F)C(=O)N	169
+NCc1cc(c(cc1F)Cl)C2=NC(N(N2)c3ccc(c(Cl)c3)F)=O	399
+C1CC1C#Cc2cc(c(cc2)N3C(=O)N=C(c4c(Cl)ccc(c4)CN)N3)F	4692
+FC(F)(F)C(=O)NCc1ccc(c(C2CCN(CC2)C(c3c4c(n(CCOC(F)(F)F)c3)cccc4Br)=O)c1)F	211
+FC(F)(F)C(NCc1cc(C2CCN(CC2)C(=O)c3cn(c4c3c(C)ccc4F)CCOC)c(cc1)F)=O	211
+FC(F)(F)C(Nc1c(c(N)c(cc1)O)C)=O	0
+FC(F)(F)C(=O)Nc1cc(N(C)c2ccc(cn2)[N+]([O-])=O)ccc1F	9158
+c1cc(ccc1)-c2c(c(OC)c(c(C#N)c2C)N)F	630
+FC(F)(F)C(=O)Nc1c(C)c([N+]([O-])=O)c(O)cc1	5
+FC(F)(F)C(=O)Nc1c(c(C)c(-c2ccccc2)c(c1OC)F)C#N	134
+Nc1cccc2CCOc12	630
+C1CCCN1C(Cc2cc(n(CC)n2)N)=O	4693
+FC(F)(F)C(=O)Nc1cc(N(C)c2ncc(cc2)N)ccc1F	13
+FC(F)(F)C(=O)Nc1cc(ccc1F)N(c2nc3c(nc(N)s3)cc2)C	4542
+C1CC1C(Nc2nc3c(nc(N(c4ccc(c(N)c4)F)C)cc3)s2)=O	630
+FC(F)(F)C(=O)Nc1cc(Oc2cc3sc(NC(C)=O)nc3cc2)ccc1	290
+c1cc2nc(NC(C)=O)sc2cc1Oc3cc(N)ccc3	630
+FC(F)(F)C(Nc1ccn2c(c(cn2)Cl)c1)=O	9159
+FC(F)(F)c1n(nnn1)-c2c(cc(cc2)OC)Br	9160
+N(C)(c1cc(Cl)c(N)cc1)Cc2sc(cc2)Cl	630
+Nc1ccc2c(nco2)c1C	630
+FC(F)(F)C(Nc1cc(ccc1)-c2nn3ccccc3c2-c4nc(Cl)ncc4)=O	4694
+c1c(cccc1Nc2nc(ccn2)-c3c(-c4cccc(N)c4)nn5ccccc35)F	630
+FC(F)(F)C(=O)Nc1cccc(C#Cc2nc(ncc2)Cl)c1	838
+n1ccn2cc(nc2c1)N	4695
+c1n2nc(ccc2nc1N)Cl	4695
+FC(F)(F)c1nc(-c2cc(C(O)=O)ccc2)no1	9161
+FC(F)(F)C(=O)N1Cc2c(CC1)cc(cc2)OCC	520
+FC(F)(F)c1[nH]c2C(NC(=O)N(c2n1)CCCCC)=O	9162
+FC(F)(F)C(=O)Nc1c(Br)nc(cc1)-c2cc3cnn(c3cc2)C	9163
+FC(F)(F)C(Nc1ccc2nc(C)oc2c1)=O	759
+FC(F)(F)C(=O)Nc1ccc(OC)cc1Br	759
+FC(F)(F)C(OC1CCC(CC1)C2CCC(CC2)C3OCC(CO3)CCCC)=O	4352
+FC(F)(F)C(=O)N1c2c(cc(Br)cc2)N(CC1C)S(=O)(=O)c3ccc(cc3)C	1326
+FC(F)(F)C(=O)N(CCC)c1c([N+](=O)[O-])cc(F)c([N+]([O-])=O)c1	1326
+[O-][N+]1=CC=C2C(C3(C(=O)N(CCCCC)c4ccccc34)CO2)C1=O	9164
+FC(F)(F)C(c1c[nH]c2cc(ccc12)[N+](=O)[O-])=O	531
+FC(F)(F)C(c1cn(c2cc([N+](=O)[O-])ccc12)C)=O	531
+FC(F)(F)C(NCCc1cccc([N+]([O-])=O)c1)=O	659
+FC(F)(F)C(=O)c1c[nH]c2cccc(Br)c12	531
+FC(F)(F)C(=O)c1c[nH]c2cccc(Cl)c12	531
+FC(F)(F)C(c1c[nH]c2c1c(F)ccc2Br)=O	531
+FC(F)(F)C(c1c(C)[nH]c2c1ccc(c2)OC)=O	531
+FC(F)(F)C(=O)c1cn(CCOC)c2c(F)ccc(C)c12	531
+FC(F)(F)C(N(c1c(C)c(Oc2c(cc(cc2C)C)C)nc(C)c1)CC)=O	1326
+FC(F)(F)C(Nc1c2c(ccc(c2)C(=O)c3cc(F)cc(c3)F)[nH]n1)=O	9165
+FC(F)(F)C(=O)Nc1cccc(c1)C#C	759
+FC(F)(F)C(Nc1cc(Oc2c(cc([N+]([O-])=O)cc2)C#N)c(cc1F)Cl)=O	759
+FC(F)(F)C(=O)NCCc1c(c(ccc1)Br)CC	659
+FC(F)(F)C(c1c[nH]c2cc(ccc12)Br)=O	531
+FC(F)(F)C(N(CCOc1c(N)c([N+](=O)[O-])ccc1)CCCc2c3c(cccc3)[nH]c2)=O	520
+FC(F)(F)C(=O)Nc1c(c([N+]([O-])=O)c(cc1)OC)C	759
+FC(F)(F)C(Nc1c(c(c(OC)cc1)[N+](=O)[O-])CC)=O	759
+FC(F)(F)C(N1CCc2c1cc(cc2)[N+]([O-])=O)=O	1326
+FC(F)(F)C(=O)NC(CO)c1ccccc1	659
+FC(F)(F)C(NC(C(Oc1cc2c(n(-c3ccc(cc3)F)nc2)cc1C)c4ccccc4)C)=O	659
+FC(F)(F)C(NCCc1ccn(c1)S(=O)(=O)c2ccccc2)=O	659
+FC(F)(F)c1nc(-c2ccc(cc2)CC(=O)OC)no1	9166
+FC(F)(F)C(=O)N1CCC(CC1)c2ccc(cc2)C(=O)O	520
+FC(F)(F)C(Nc1ccc(cc1)CCO)=O	759
+FC(F)(F)C(N(c1ccc(cc1)O)CCCCBr)=O	1326
+FC(F)(F)C(N(C)C1CN(CC1)c2ccc(cc2)[N+]([O-])=O)=O	520
+FC(F)(F)C(Nc1cc(ccc1)Oc2ccc(cc2)[N+]([O-])=O)=O	759
+FC(F)(F)C(=O)NC1CCCc2c1cc(cc2)F	659
+FC(F)(F)C(Nc1ccccc1C#N)=O	759
+FC(F)(F)C(=O)NCC1CCC(C)(C)CN1Cc2ccccc2	659
+FC(F)(F)C(=O)Nc1cc2ccnn2cc1	759
+FC(F)(F)C(=O)NNc1nccnc1Cl	9167
+FC(F)(F)C(CC(=O)c1cc(F)c(c(F)c1)SC)=O	1219
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(=O)OCC)c1	9168
+FC(F)(F)C(=O)NCC1OCCNC1	605
+FC(F)(F)C(=O)C(C#N)c1cc2OCOc2c(Cl)c1	9169
+FC(F)(F)C(=O)NC1C2N(c3cc(c(F)cc3Oc4cc(ccc24)F)Br)CCC1	605
+FC(F)(F)C(=O)NCCC(O)c1cc(ccc1)Br	605
+FC(F)(F)C(=O)CC(=O)c1cc(Br)ccc1	1219
+FC(F)(F)C(c1ccc(Br)cc1-n2ccc(n2)C)=O	9170
+FC(F)(F)C(=O)CC(=O)c1ccc(cc1)OC	1219
+FC(F)(F)C(NC(C(O)c1ccc(cc1)O)C)=O	605
+FC(F)(F)C(CC(=O)c1ccc(cc1)-c2cocn2)=O	1219
+FC(F)(F)C(=O)CC(c1ccc(cc1)C)=O	1219
+FC(F)(F)C(CC(c1ccc(cc1)CN=[N+]=[N-])=O)=O	1219
+FC(F)(F)C(NC1Cc2ccccc2C1)=O	605
+Fc1cc(cc(F)c1)C(C(O)c2cc(C)c(cc2)OC(F)F)=O	4696
+Fc1cc(cc(F)c1)C(C(c2ccc(cc2)OC(F)F)O)=O	4696
+CC(C)n1c2cc(OC)ccc2c(C(=O)O)c1	827
+FC(F)(F)C(=O)c1cn(CCOC(F)(F)F)c2cccc(Br)c12	9171
+FC(F)(F)Cn1c2cccc(c2c(C(=O)C(F)(F)F)c1)Cl	9172
+FC(F)(F)C(O)(c1cc(C(=O)OCC)n(CC=C)c1)c2ccc3c(c2)cnn3-c4ccc(cc4)F	9173
+c1(c2c(cccc2Cl)n(CC3CCCO3)c1)C(=O)O	827
+c1(c2c(n(CCOC)c1)cccc2Cl)C(=O)O	827
+CC(C)n1cc(c2ccc(C)cc12)C(=O)O	827
+FC(F)(F)c1scc(-c2ccccc2O)n1	9174
+FC(F)(F)C(O)(CC)c1oc(nn1)N	1517
+FC(F)(F)C(c1nnc(N)o1)(O)C	1517
+FC(F)(F)C(C(=O)OCC)(CC(c1cccc(c1OC)F)CCC)O	191
+FC(F)(F)C(C=O)(CC(c1cccc(F)c1OC)CCC)O	578
+FC(F)(F)c1nc2ccc(I)nn2c1C	4697
+FC(F)(F)c1c(n2nc(ccc2n1)Cl)C	4697
+FC(F)(F)C(=O)C(C)(C)C(c1cc2c(cc1)n(-c3ccc(cc3)F)nc2)c4ccccc4	3049
+FC(F)(F)c1nc(sc1C(=O)OCC)C	9175
+FC(F)(F)C(C(=O)NN)(O)C	561
+FC(F)(F)C(C(=O)NN)(CC)O	743
+FC(F)(F)C(C(c1c(c(Cl)c(cc1)Oc2ccc(cc2)C(=O)OC)Cl)C)(O)C=3C=CC(N(C)C=3)=O	472
+FC(F)(F)C(O)(C(c1cc(O)ccc1Cl)C)c2ccc3c(N(C)C(=O)CO3)c2	5
+FC(F)(F)C(c1cc(C)c(c(c1)C)C#N)(O)C(c2c(Cl)cc(cc2)Oc3ccc(cn3)C(=O)OC)C	136
+FC(F)(F)C(O)(C(Nc1ccc(C(=O)c2ccccc2)s1)=O)C	1477
+FC(F)(F)C(O)(C(Nc1ccc(c(OC)c1)S(=O)(=O)c2ccncc2)=O)C	33
+FC(F)(F)C(C)(C)C(N)=S	199
+FC(F)(F)C(C)(C)NC(c1cc(CCl)ccc1)=O	93
+FC(F)(F)C(C)(C)NC(=O)c1cc(ccc1)CN2CCNCC2	2
+FC(F)(F)C(C)(C)NC(=O)c1cc(ccc1)CN2CCN(CC2)C(=O)c3cc(F)c(N)cc3	30
+FC(F)(F)C(C)(C)c1c(cc(cc1F)C2C(C(O)=O)C2)F	3
+FC(F)(F)C(C)(C)c1cc(ccc1O)Cl	5
+FC(F)(F)C(C)(C)c1ccc(cc1)-c2noc(C3=CN(Cc4cnc(cc4)Cl)C(=O)C=C3)n2	9176
+FC(F)(F)C(C)(C)c1ccc(cc1)-c2noc(C3=CN(C(=O)C=C3)Cc4cnc(NC)cc4)n2	70
+FC(F)(F)C(C)(C1CCC(CC1)N)O	316
+FC(F)(F)C(C1CCC(CC1)O)(O)C	2391
+FC(F)(F)C(O)(C)c1ccc(cc1)N2C(COCc3ccccc3)CN(S(=O)(=O)c4sccc4)CC2	79
+FC(F)(F)C(c1ccc(cc1)CN)(O)C	107
+FC(F)(F)C(=Cc1ccc(C(=O)OCC)c(c1)C)C	9177
+FC(F)(F)C(CCC#N)C	300
+FC(F)(F)C(C)NS(=O)(=O)c1cn(C)c(c1)C(Nc2ccc(F)c(c2)Cl)=O	2337
+FC(F)(F)C(C)Oc1c(cc(S(=O)(=O)C)cc1)C(=O)N2CCN(CC2)c3sc(C(F)(F)F)cn3	30
+FC(F)(F)C(C)Oc1c(C2CCC2)cnc(C(NC(c3noc(C)n3)(CS(=O)(=O)C)C)=O)c1	81
+FC(F)(F)C(C1=CC(C(=CN1C)O)=O)O	9178
+FC(F)(F)c1c2c(n[nH]1)CCCC2=O	9179
+FC(F)(F)C(O)C1CCC(CC1)N	273
+FC(F)(F)C(OCC)C1CCC(CC1)Nc2ncnc(c2Cl)CC	3848
+FC(F)(F)C(C)(O)C1CCC(CC1)=O	86
+FC(F)(F)C(C=Cc1ccc(CNCc2ccccn2)c(C(F)(F)F)c1)c3cc(Cl)c(c(c3)Cl)Cl	294
+FC(F)(F)C(C=Cc1ccc(cc1)OCC(O)=O)=O	32
+FC(F)(F)C(O)(CC(C)(C)c1c(OC)ccc(F)c1)CNc2c3c(ccc2)nc(cc3)C(NC)=O	9180
+FC(F)(F)C1(O)C(Oc2c(cccc2)C1)Nc3cc(F)cc4nc(C)ncc34	9181
+FC(F)(F)C(C=Nc1cc(cc2c1cnc(C)n2)F)(CC(c3cccc(c3OC)F)CCC)O	2253
+FC(F)(F)c1cc(N)n(n1)-c2ccccc2	9182
+FC(F)(F)C(O)(C(OCC)=O)CC(C)(C)c1cc(F)ccc1OC	3995
+FC(F)(F)c1nn(-c2ccc(cc2)F)c(-c3cc(F)c(c(F)c3)SC)c1	2251
+FC(F)(F)c1nn(c(-c2cc(c(cc2)-c3occc3)C)c1)-c4ccc(cc4)S(=O)(=O)N	2251
+FC(F)(F)C(=CC(c1c2CCCc2c(C(=O)OC)s1)=O)c3cc(Cl)c(c(c3)Cl)F	4698
+FC(F)(F)C(O)(C=O)CC(C)(C)Cc1cccc(Cl)c1	578
+FC(F)(F)C(O)(C=O)CC(C)(C)c1cc(F)ccc1OC	24
+FC(F)(F)C(CC(C)(C)c1c(OC)ccc(F)c1)(CNC(=O)c2cnn(c2N)-c3ccc(cc3F)F)O	597
+FC(F)(F)C(O)(CC(C)(C)c1ccccn1)Cc2cc3ccccc3[nH]2	9183
+FC(F)(F)c1n[nH]c(c1)-c2ccc(cc2)Br	9184
+FC(F)(F)c1nn(-c2cc(F)c(S(=O)(=O)C)cc2)c(-c3ccc(cc3)Br)c1	2251
+FC(F)(F)c1cc(n(n1)-c2cnc(cc2)S(=O)(=O)N)-c3ccc(cc3)Br	9185
+FC(F)(F)C1(CC(=NO1)c2ccc(cc2)CN=[N+]=[N-])O	9186
+FC(F)(F)C(CC1(c2cc(SC)ccc2OCC1)C)=O	3049
+FC(F)(F)C(CC1CCc2cc([N+](=O)[O-])ccc2O1)OCc3ccccc3	149
+FC(F)(F)C(CC1CCc2cc(N)ccc2O1)OCc3ccccc3	0
+FC(F)(F)C(CC1CCc2c(O1)ccc([N+](=O)[O-])c2)O	31
+FC(F)(F)C(C(=O)O)(F)CCCCCCCC	460
+FC(F)(F)C(C)CCOS(=O)(=O)C	7
+FC(F)(F)C(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)(O)CN	597
+FC(F)(F)C(CNC(=O)c1cnn(-c2ccc(cc2)F)c1N)(CO)O	597
+FC(F)(F)C(O)CN1C(=NN(C1=O)CC(O)=O)c2ccc(cc2)Cl	4
+FC(F)(F)C(CN1C(=NN(Cc2sc(-c3c(Cl)cccc3)cn2)C1=O)c4ccc(cc4)Cl)O	9187
+FC(F)(F)C(O)(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)COS(=O)(=O)c3ccc(cc3)C	36
+FC(F)(F)C(O)(CNC(c1c(F)cccc1OC(F)F)=O)CNC(c2cnn(-c3ccc(cc3)F)c2N)=O	14
+FC(F)(F)C(CNC(=O)c1c(Cl)cccc1Br)(CNC(c2cnn(-c3ccc(cc3)F)c2N)=O)O	93
+FC(F)(F)C(O)(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)CNC(=O)c3c(cccc3Cl)Cl	93
+FC(F)(F)C(CN)(CO)O	273
+FC(F)(F)C(O)(CNc1cc(C)cc2n(ncc12)-c3ccc(cc3)F)CN(CCC)C(=O)c4ccccc4	30
+FC(F)(F)C(CN(C(=O)c1cccs1)CCC)(O)CNc2cc(C)cc3n(ncc23)-c4ccccc4	867
+FC(F)(F)C(CN(CC)C(c1ccccc1)=O)(O)CNc2c3cnn(-c4ccccc4)c3cc(C)c2	30
+FC(F)(F)C(CNCc1ccccc1)(O)CO	9188
+FC(F)(F)C(COC1CCN(CC1)C(OCc2ccccc2)=O)OS(=O)(=O)C	7
+FC(F)(F)C(O)(C=Nc1c2cnc(C)nc2cc(c1)F)Cc3ccccc3OC	2253
+FC(F)(F)C(=CC1C(C(OCc2ccc(c(c2)Cc3ccccc3)F)=O)C1(C)C)Cl	27
+FC(F)(F)C(F)(F)C1=NN(c2ccc(F)cc2F)C(c3nccc(Br)c3)C1	4699
+FC(F)(F)C(F)(F)C1=NN(C(C1)c2ncc(Br)cc2)c3c(Cl)cccc3	4699
+FC(F)(F)C(F)(F)C(F)(F)c1c(N)c([nH]n1)C	209
+FC(F)(F)C(F)(F)c1nc2c([nH]1)cccc2	2712
+FC(F)(F)C(F)(F)c1ccc2OC(CF)(CF)C=C(C(=O)OCC)c2c1	4700
+FC(F)(F)C(F)(F)c1ccc(cc1)C#N	4700
+FC(F)(F)C(F)(F)C1=NN(C(C1)c2ccc(cn2)-c3cc(C(=O)C)ccc3)c4c(Cl)cccc4	89
+FC(F)(F)C(F)(F)C1=NN(C(c2nccc(-c3cc(SC)ccc3)c2)C1)c4c(cc(F)cc4)F	835
+FC(F)(F)C(F)(F)CCC=CCCCNC	284
+FC(F)(F)C(F)(F)CCCCCCCNC	460
+FC(F)(F)C(F)(F)CCCCCC(CCCCCCC=C)C(=O)OCC	9189
+FC(F)(F)C(F)(F)CCCCCOS(=O)(=O)C	7
+FC(F)(F)C(F)(F)CCCCCI	572
+FC(F)(F)C(F)(F)CCCCC(C(=O)OCC)(C(=O)OCC)CCCCCCC=C	9190
+FC(F)(F)C(F)(F)CCCCI	572
+FC(F)(F)C(F)(F)CNC(=O)OC(C)C(NC1C(Nc2c(cccc2)-c3c1cccc3)=O)=O	9191
+FC(F)(F)C(F)(F)C(C=Cc1ccc(Br)cn1)=O	2364
+FC(F)(F)C(F)(F)C(C=Cc1cc(-c2ccc(cc2)SC)ccc1)=O	2364
+FC(F)(F)C(F)(F)c1ccc(cc1)C(NCCc2ccc(cc2)F)=O	14
+FC(F)(F)C(F)(F)c1n(CCOc2ccc(cc2)CC(C(=O)O)OCC)c3c(cccc3)n1	3
+FC(F)(F)C(F)(F)c1n(CCOc2ccc(cc2)CC(C(OCC)=O)OCC)c3c(cccc3)n1	656
+FC(F)(F)C(N(C1CCCCC1)Cc2cnc(cc2)CN)=O	421
+FC(F)(F)C(N(C1CCCCC1)Cc2ccc(C#N)nc2)=O	577
+FC(F)(F)C(=O)N(C1CCN(CC1)C(=O)OC2(CC2)C)C3CC3	1011
+FC(F)(F)C(=O)N(c1cc2OCC(CC(OC)=O)c2cc1)C3c4cccc(Nc5c(ccc(c5)F)[N+]([O-])=O)c4CC3	230
+CC(C)(C)OC(N1CCC(CC1)(CNC)c2ccc(cc2)I)=O	318
+FC(F)(F)C(=O)N(CC1CCCN(CCN2c3c(ncc(c3)F)C=CC2=O)C1)Cc4cc5c(cn4)OCCO5	61
+c1cc(ccc1NCCCCC#N)O	1761
+FC(F)(F)C(N(CCCc1c2c(cccc2)[nH]c1)CCOc3cccc(N)c3N)=O	0
+FC(F)(F)C(N(c1ccc(CCC(OCC)=O)c(F)c1)Cc2c(C)c3c(CCCN3CCOS(=O)(=O)C)cc2)=O	7
+FC(F)(F)C(N(CCCCC#N)c1ccc(cc1)O)=O	830
+FC(F)(F)C(N=S(=O)(c1ccc(cc1)[N+]([O-])=O)C2CC2)=O	9192
+FC(F)(F)C(C)NS(=O)(=O)c1sc(c(C(=O)Nc2cc(F)c(cc2)F)c1)C	1427
+FC(F)(F)C(C)NS(=O)(=O)c1cc(C(OC)=O)n(C)c1	1362
+FC(F)(F)C(C)NC(C(c1cn(c(c1)C(Nc2cc(c(F)cc2)C)=O)C)=O)=O	2754
+FC(F)(F)C(C)Nc1nc(nc(Cl)c1-c2c(cc(cc2F)F)F)-c3ccccn3	40
+FC(F)(F)C(NC(c1c2nc(N3C(CCC3CO)c4cc(cnc4)F)ccn2nc1)=O)C	1339
+FC(F)(F)C(NC(=S)NC(c1ccccc1)=O)C	1993
+FC(F)(F)C(N1C(=O)c2c(C(=C1)Br)n[nH]c2N)C3CC3	9193
+C1c2c(C(C)CNC1C)cc(c(OCC=C)c2)Br	318
+C1CC2CC(CC1N2)C3c4c(Oc5c3cccc5)cc(cc4)-c6[nH]nnn6	318
+FC(F)(F)C(N1C2CC(CC1CC2)C3c4ccccc4Oc5cc(C#N)ccc35)=O	1926
+FC(F)(F)C(N1C2CC(CC1CC2)C3c4ccc(cc4Oc5c3cccc5)-c6[nH]nnn6)=O	1174
+FC(F)(F)C(=O)N1C(Cc2c(C(C)C1)cc(Br)c(O)c2)C	5
+FC(F)(F)C(N1CCc2nc(O)c(cc2C(C)C1)I)=O	583
+FC(F)(F)C(=O)N1CC(C1)Cc2cc(Br)ccc2OCc3oc(cc3)C(F)(F)F	4701
+FC(F)(F)C(=O)N1CC2(CCN(CC2)Cc3cccc(CCO)c3F)OCC1	48
+O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])C3CNCC2C3	318
+FC(F)(F)C(N1CC2c3ccc(C(C)=O)cc3C(C1)C2)=O	94
+FC(F)(F)C(=O)N1CCC(CC1)C2=NCCc3cc(OC)ccc23	1120
+C1CNCCC1C(c2ccc(cc2)Br)=O	318
+CC(C)(C)OC(N(C1CCNCC1)Cc2ccc3c(OCCO3)c2)=O	318
+FC(F)(F)C(=O)N1CCC(CC1)N(Cc2ccc(cc2)Cl)C(=O)Cc3ccc(cc3)OC	58
+FC(F)(F)C(c1ccc2n(c(-c3nc4c(cc3)cc(F)c(OCC)c4)nn2)c1)N5CC(CC5)N	12
+FC(F)(F)C(N1CCC2(C)C(C)(C)C1Cc3c(O)c([N+]([O-])=O)ccc23)=O	77
+FC(F)(F)C(=O)N1CCCC(c2c(c(ccc2)N)NC(=O)OCC)C1	0
+FC(F)(F)C(=O)N1CCNCC1	2
+CC(C)(C)C(NCCC#Cc1c2CCNCCc2ccc1Cl)=O	318
+FC(F)(F)C(N1CCc2ccc(cc2CC1)N)=O	0
+c1(C(=O)N)ccc(Oc2cc3CCNCCc3cc2)nc1	318
+FC(F)(F)C(N1c2c(ccc(N)c2)CC1)=O	0
+c1ccccc1CN2CCN(CC2)CCC(Nc3ccc4CCNCCc4c3)=O	318
+FC(F)(F)C(=O)N1CCc2ccc(O)cc2CC1	5
+C1(C)CNCCc2nc(O)c(I)cc12	318
+C1CC1C(=O)N2c3cc(Br)ccc3NC(C)C2	1761
+C(S(=N)(C)=O)c1cccc([N+]([O-])=O)c1	4690
+FC(F)(F)C(N=S(c1ccc(cc1)N)(=O)C2CC2)=O	0
+FC(F)(F)c1cnc(nc1OC(C)C(C)OCc2ccccc2)Nc3ccc(cc3)S(=NC(C(F)(F)F)=O)(C4CC4)=O	55
+FC(F)(F)C(NC(=O)C(N1C(C)(C)C(CC1)C(=O)O)=O)C	3
+FC(F)(F)C(NC(=O)C(N1CCC(C1(C)C)C(Nc2cc(c(F)c(c2)F)Cl)=O)=O)C	33
+FC(F)(F)C(NC(N)=S)C	401
+FC(F)(F)C(=O)NC(C(=O)c1cc(ccc1OC)OC)C	94
+FC(F)(F)C(=O)NC(C(c1ccc(c(N)c1)OCc2ccccc2)O)C	0
+FC(F)(F)C(NC(C(c1ccc(O)c([N+]([O-])=O)c1)O)C)=O	77
+FC(F)(F)C(NC(C(O)c1ccc(c([N+]([O-])=O)c1)OCc2ccccc2)C)=O	22
+FC(F)(F)C(NC(C)Cc1cc(c(C(=O)c2ccccc2)cc1OC)OC)=O	222
+FC(F)(F)C(=O)NC(C)Cc1c(OC)cc(c(c1)OC)Cc2ccccc2	394
+FC(F)(F)C(NC(C)Cc1ccc(cc1)Sc2ccc(cc2)Oc3cc(ccc3)C(=O)OCC)=O	472
+FC(F)(F)C(NC(C)Cc1ccc(cc1)Sc2ccc(cc2)O)=O	5
+FC(F)(F)C(NC(C(O)=O)CCC)c1ccc(cc1)Br	2773
+FC(F)(F)C(=O)NC(C)Cc1ccc(cc1)I	184
+FC(F)(F)C(Nc1scc(-c2ccc(cc2)C#N)n1)C	354
+FC(F)(F)C(NC1CCCN2c3c(cc(c(Cl)c3)[N+](=O)[O-])Oc4ccccc4C12)=O	77
+FC(F)(F)C(NC1C2N(CCC1)c3c(cc(NS(=O)(=O)c4ccccc4)c(Cl)c3)Oc5ccccc25)=O	69
+FC(F)(F)C(NC1C2c3ccccc3Oc4c(cc(c(N)c4)Cl)N2CCC1)=O	0
+FC(F)(F)C(=O)NC1Cc2cc(c(cc2C1)CC)C(C)=O	94
+FC(F)(F)C(NC1Cc2c(C1)ccc(c2)CC)=O	165
+FC(F)(F)C(NC1Cc2ccc(C(C)=O)cc2C1)=O	94
+FC(F)(F)C(=O)NCC#Cc1cc(ccc1)[N+]([O-])=O	197
+FC(F)(F)C(=O)NCC1N(C(c2nc(C)sc2-c3cc(C)ccc3)=O)CC4C1CC(C)C4	837
+FC(F)(F)C(NCC1N(C(=O)c2c(sc(N)n2)-c3cccc(C)c3)C4C(C1)C4)=O	837
+FC(F)(F)C(NCC1CC2CC2N1)=O	2
+C1N(CCc2ccnc3c2nc(OC)cc3)CCCC1CN	399
+O1C(CN)CN(CC1)Cc2ccc(c(c2)Cl)Cl	399
+Nc1nc(C(=O)N2C(CC3CC23)CN)c(-c4cc(C)ccc4)s1	399
+c1cccc2c1N=C(N3CC(N(CCOCCO)CC3)CN)c4ccccc4S2	399
+FC(F)(F)C(NCC1N(CCN(C1)C=2c3ccccc3Sc4c(cccc4)N=2)CCOCCO)=O	9194
+FC(F)(F)C(NCC1N(CCNC1)CCOCCO)=O	2
+FC(F)(F)C(=O)NCC1N(C(c2c(sc(N)n2)-c3cc(F)ccc3)=O)C4CCC1C4	837
+FC(F)(F)C(=O)NCCCCN1C2CCC1CN(C2)c3ccc(cc3)Cl	123
+CC(C)OC(=O)N(CCCN)C	399
+CC(C)(C)OC(=O)N(C1CCN(C1)c2c3nc(ccc3ncc2)OC)CCN	399
+FC(F)(F)C(NCCNC(c1cccc(c1)OCC(N=[N+]=[N-])OCCOCC(OCC)=O)=O)=O	14
+FC(F)(F)C(NCCc1cc(ccc1)NN)=O	427
+FC(F)(F)C(NCCc1cccc(N)c1)=O	0
+FC(F)(F)C(=O)NCc1cc(C(=O)O)c(Cl)cc1F	3457
+N=1C(N(NC=1c2cc(ccc2Cl)CN)c3ccc(c(Cl)c3)F)=O	4692
+C1COCCC1C(=O)c2cc(N)c(C(=O)OC)s2	9195
+FC(F)(F)C(Nc1c(CC)c(N)c(O)cc1)=O	0
+FC(F)(F)C(Nc1c(CC)c([N+](=O)[O-])c(cc1)O)=O	5
+C1CC1C(=O)Nc2sc3c(n2)ccc(Oc4c(Cl)cc(F)c(c4)N)c3C#N	630
+FC(F)(F)C(Nc1cc(c(cc1F)Cl)Oc2ccc(cc2C#N)N)=O	0
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3c(nc(N)s3)cc2)c(Cl)cc1F)=O	821
+FC(F)(F)C(=O)Nc1cccc(c1)-c2c(-c3ccnc(n3)Nc4cc(ccc4)F)c5n(cccc5)n2	55
+FC(F)(F)C(=O)Nc1cc(Oc2cc3sc(N)nc3cc2)ccc1	821
+FC(F)(F)C(Nc1cc(ccc1)Oc2ccc(cc2)N)=O	0
+FC(F)(F)C(Nc1cccc([N+]([O-])=O)c1)C(=O)O	4
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN	45
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN2C(c3c(C2=O)cccc3)=O	332
+FC(F)(F)C(Nc1c(cc(cc1)NCc2ccc(Cl)s2)Cl)=O	9196
+CN(C)C(=O)CCCc1ccc(cc1)N	630
+FC(F)(F)C(Nc1ccc(cc1)CCOCOCc2ccccc2)=O	433
+c1cc(ccc1CCOCOCc2ccccc2)N	630
+Nc1ccc2c(nco2)c1CC	630
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CO	21
+c1(N)ccn2c(c(Cl)cn2)c1	630
+c1([nH]nc(N)c1)CC(Nc2cccc(c2)F)=O	4693
+FC(F)(F)C(Nc1scc(n1)-c2ccc(cc2)CN)C	107
+FC(F)(F)C(c1cn(nn1)Cc2cc3n(c(c(C(OCC)=O)c3)-c4ccc(cc4)F)cc2)(O)CC	642
+FC(F)(F)C(C(c1c(c(c(cc1)O)Cl)Cl)C)(O)C=2C=CC(N(C)C=2)=O	5
+FC(F)(F)C(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)c(O)c1)(O)C	5
+FC(F)(F)C(OCc1ccccc1)(CC(C)(C)c2c(ccc(F)c2)OC)C(OCC)=O	1907
+FC(F)(F)C(O)(C=O)CC(C)(C)c1c(c(c(cc1)Cl)F)OC	578
+FC(F)(F)C(C(c1cc(Oc2ccc(C(OC)=O)c(c2)Cl)ccc1Cl)C)(c3cc4N(C(=O)COc4cc3)C)O	472
+FC(F)(F)C(C(C)c1cc(Oc2cc(CC#N)ccc2)ccc1Cl)(c3cc4N(C(=O)COc4cc3)C)O	472
+FC(F)(F)C(O)(C)c1ccc(cc1)N2CCN(CC2COS(=O)(=O)C)S(=O)(=O)c3sccc3	7
+FC(F)(F)C(O)(C)c1ccc(cc1)N2C(CN(S(=O)(=O)c3sccc3)CC2)CO	118
+FC(F)(F)C(O)(C)c1ccc(cc1)N2CCN(S(=O)(=O)c3sccc3)CC2CNC	285
+FC(F)(F)C(O)(C)c1ccc(cc1)N2C(CN(S(=O)(=O)c3sccc3)CC2)CN(Cc4ncn(c4)C)C	879
+FC(F)(F)C(C=Nc1c2cnc(C)nc2cc(c1)F)(O)Cc3ccccc3O	5
+FC(F)(F)C1(O)C(Oc2c(cccc2)C1)Nc3cc(F)cc4nc(C)ncc34	9197
+FC(F)(F)C(C=Nc1c2c(ccc1)c(ncc2)O)(O)CC(C)(C)c3c(c(c(cc3)Cl)F)OC	2253
+FC(F)(F)C(C=Nc1c2c(ccc1)nc(cc2)C(NC)=O)(CC(C)(C)c3c(OC)ccc(F)c3)O	2253
+FC(F)(F)C(O)(CC#Cc1c(cc(C#N)cc1N)C)CC2(CCOc3ccc(S(=O)(=O)C)cc23)C	0
+FC(F)(F)C(CC1(CCOc2ccc(S(=O)(=O)C)cc12)C)(Cc3cc4c(cc(C#N)cc4[nH]3)C)O	2112
+FC(F)(F)C(=CC(=O)c1cc2c(s1)cccc2Cl)c3cc(Cl)cc(Cl)c3	4698
+FC(F)(F)C(CC)(O)c1nnc(o1)NCc2ccn3c(cc(C(OCC)=O)c3-c4ccc(cc4)F)c2	4702
+FC(F)(F)C(CC)(O)c1nnc(NCc2cc3nc(c(n3cc2)-c4ccccc4)C(=O)OCC)o1	4702
+FC(F)(F)C(O)(CC#Cc1c(C)cc(cc1[N+]([O-])=O)C#N)CC2(CCOc3ccc(S(=O)(=O)C)cc23)C	1247
+FC(F)(F)C(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)(O)CN	273
+FC(F)(F)C(Cc1c(OC)cccc1)(C=O)O	9198
+FC(F)(F)C(c1ccc2c(c1)cnn2-c3ccc(cc3)F)(c4cn(c(C(=O)O)c4)CC=C)O	6
+FC(F)(F)C(O)(c1cn(CC=O)c2c1ncnc2Cl)c3cc4cnn(c4cc3)-c5ccc(cc5)F	1156
+FC(F)(F)C(C)(O)c1ccc(cc1)O	16
+FC(F)(F)C(O)(c1cc2cnn(c2cc1)-c3ccc(cc3)F)c4cn(c5c4ncnc5Cl)CCO	237
+FC(F)(F)c1cc(ccc1O)C=O	502
+FC(F)(F)c1cc(Cl)ccc1-c2c(cc3[nH]c(C(F)(F)F)nc3c2)Cl	1640
+FC(F)(F)c1n(nnn1)-c2ccc(O)c(C=O)c2	502
+FC(F)(F)c1nc2c(OC)cccc2[nH]1	1640
+c1(cccc(c1O)Cc2c(c(OC)c(OC)c(c2OC)OC)C)C=O	502
+Fc1cc(cc(F)c1O)C=O	502
+O=Cc1cc(C)c(O)c2c1CCC2	502
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2cc(C=O)c(cc2)OC	502
+c1cc(ccc1OC)CC(NC(=O)NCc2ccon2)c3[nH]c4ccccc4n3	9199
+c1cc(ccc1)NC2(CCN(CC2)Cc3ccccc3)C(N)=O	9200
+c1cc(ccc1C(=O)N)-n2nc(-c3ccc(cc3)C(=O)OC)cc2I	9201
+O=Cc1cc(CCC(=O)O)ccc1O	502
+Clc1cc(cc(Cl)c1Oc2cc(C=O)c(cc2)OC)N3C(=O)NC(C=N3)=O	502
+FC(F)(F)c1nc2c(nc(Cl)nc2Cl)n1C	9202
+FC(F)(F)C(C)Oc1c(C(O)=O)cc(S(=O)(=O)C)cc1	556
+FC(F)(F)C(Oc1nncc2cc(Br)ccc12)C	485
+FC(F)(F)C(OC(=O)Oc1ccc(cc1)[N+]([O-])=O)C	405
+FC(F)(F)C(C=1N(C(=C(C(=O)C=1)OCc2ccccc2)CO)C)O	9203
+FC(F)(F)C(C1CCC(CC1)Nc2ncnc(c2Cl)CC)O	40
+FC(F)(F)C(CC(C)(C)c1ccccn1)=O	3049
+FC(F)(F)C1CC(c2nc(ccc2F)Br)(CF)NC(=NC(c3ccccc3)=O)O1	9204
+FC(F)(F)C(c1c(-n2ccc(C)n2)cc(Cl)cc1)Oc3cc(nc(N)n3)Cl	145
+FC(F)(F)C(c1c(cccc1)-c2cc(sc2)C)Oc3cc(nc(N)n3)Cl	145
+FC(F)(F)C(Oc1cc(nc(N)n1)Cl)c2c(cccc2)-c3cscc3C	145
+FC(F)(F)C(c1ccccc1-n2nc(cc2C)C)Oc3nc(N)nc(Cl)c3	145
+FC(F)(F)C(c1ccc(cc1)-c2ccncc2)Oc3cc(nc(N)n3)Cl	145
+FC(F)(F)C(c1ccc(cc1)NN)O	427
+FC(F)(F)C(O)c1ccc(cc1)N	0
+FC(F)(F)C(c1c(-n2ccnc2)cccc1)Oc3nc(N)nc(Cl)c3	145
+FC(F)(F)C(O)c1c(N)cccc1	0
+FC(F)(F)C(c1cc(ncc1)C(N)=O)OC	9205
+FC(F)(F)C(Oc1cc(N2CCC3(CC2)CCNC(C3)C(=O)O)nc(N)n1)c4c(-n5ccc(C)n5)cc(Cl)cc4	4
+FC(F)(F)C(c1c(cccc1)-c2cscc2C)Oc3nc(N)nc(-c4ccc(cc4)CC(C(=O)O)N)c3	198
+FC(F)(F)C(Oc1nncc2c1ccc(Nc3c(F)cc(F)cc3)c2)C	230
+FC(F)(F)C(c1c(-c2ccccc2)cc(cc1)S(=O)(=O)C)=O	2177
+FC(F)(F)C(Oc1cc(-c2ccc(cc2)CC(C(=O)O)N)nc(N)n1)c3c(cccc3)-c4cc(sc4)C	198
+FC(F)(F)C(=O)c1ccccc1NC(c2ccco2)=O	2177
+Cc1c(C(=O)O)c2ccc(cc2n1CC)OC	827
+[nH]1cc(c2ccc([N+]([O-])=O)cc12)C(=O)O	827
+Clc1cc2c(c[nH]c2cc1)C(=O)O	827
+FC(F)(F)C(C(c1ccc(O)cc1Cl)C)(c2cc(C)c(c(c2)C)C#N)O	5
+FC(F)(F)C(c1cc(C)c(c(c1)C)N)O	0
+FC(F)(F)C(C=Cc1cc(Cl)c(cc1OC)C(NCC(=O)NCC(F)(F)F)=O)c2cc(Cl)c(c(Cl)c2)Cl	1007
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2ccc(c3ccccc23)CN	45
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2cc3CCC(c3cc2)N	474
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2c3c(cccc3)c(cc2)CNC(=O)CC(F)(F)F	9
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3ccnc4c(Br)cccc34)C1	1757
+FC(F)(F)C1(ON=C(C1)c2cc(c(Cl)nc2)Cl)c3cc(Cl)cc(Cl)c3	9206
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3cccc(c3)[N+](=O)[O-]	1757
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c3c4ccncc4c(Br)cc3)=NO1	1757
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(cc3)C	1423
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(c4ccccc34)Br	1757
+FC(F)(F)C(O)(CC(c1cc2c(Cl)cccc2s1)=O)c3cc(Cl)cc(c3)Cl	3552
+FC(F)(F)C(c1cc2c(cc1F)OCC(=O)N2C)(O)C(c3c(Cl)cc(cc3)-c4cc(c(C(=O)OC)cc4)F)C	11
+FC(F)(F)C(c1ccc(cc1-n2nc(cc2)C)Br)O	9207
+FC(F)(F)C(c1ccc(cc1)-n2c(N)cc(n2)C)O	752
+FC(F)(F)C(c1c(-n2ccc(C)n2)cc(cc1)Br)Oc3cc(nc(N)n3)Cl	145
+FC(F)(F)C(c1ccc2OCC(=O)N(c2c1)C)(O)C(C)c3c(Cl)cc(Oc4ccc(C(=O)O)cn4)cc3	1
+FC(F)(F)C(c1ccc2c(N(C)C(=O)CO2)c1)(O)C(c3c(cc(O)cc3)Cl)C	5
+FC(F)(F)C(c1ccc2OCC(=O)N(c2c1)C)(O)C(C)c3c(Cl)cc(cc3)Oc4ncc(cc4)C(=O)OC	136
+FC(F)(F)C(C(C)c1ccc(-c2ccc(Cl)c(c2)C(OCC)=O)cc1Cl)(c3ccc4OCC(=O)N(c4c3)C)O	11
+FC(F)(F)C(=NO)c1ccccc1	9208
+CC(C)CCn1c2c(ccc(Cl)c2)c(c1)C(O)=O	827
+Clc1ccc2c(cn(CCC)c2c1)C(=O)O	827
+c1([N+]([O-])=O)ccc2c(cn(c2c1)C)C(=O)O	827
+FC(F)(F)C(c1cn(nn1)Cc2ccn3c(cc(C(O)=O)c3-c4ccc(cc4)F)c2)(O)CC	6
+FC(F)(F)C(n1c2c(nc1COC3OCCCC3)cnc(Nc4ccnc(n4)-c5cnn(S(=O)(=O)C6CC6)c5)c2)C	9209
+FC(F)(F)C(C)n1c(nc2cnc(Nc3ccnc(n3)-c4cnn(S(=O)(=O)C5CC5)c4)cc12)CO	168
+FC(F)(F)C1(CC(c2ccc(cc2)CNCc3ccc(cc3)SC)=NO1)O	42
+FC(F)(F)C1(CC(c2ccc(cc2)CNC(NCC(F)(F)F)=O)=NO1)c3cc(Cl)cc(Cl)c3	1957
+FC(F)(F)C1(CC(=NO1)c2ccc(cc2)CN)O	18
+FC(F)(F)C1(CC(C)(C)c2c(cccc2)C(O)=O)CO1	500
+FC(F)(F)C1(CC(C)(C)c2ccccc2C(=O)N)CO1	169
+FC(F)(F)C1(CC(=NO1)c2ccc(cc2)CN)c3cc(Cl)cc(Cl)c3	45
+FC(F)(F)C1(CC1)C(=O)NCc2cc(F)c(Cl)c(N)c2	0
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(Cl)c(Nc3nc4cc(c(cc4[nH]3)OCC(F)F)C(Nc5ccc(cc5)Br)=O)c2	9210
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(c(N=C=S)c2Cl)Cl	1381
+FC(F)(F)C1(CC1)C(=O)NCc2cc(Nc3[nH]c4c(n3)cc(C(OCC)=O)c(OCC(F)F)c4)c(cc2)Cl	1701
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(c(Nc3n(c4ccc(cc4n3)C(Nc5ccc(cc5)Br)=O)CCN(C)C)c2)Cl	1023
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(Cl)c(N)c2Cl	9
+FC(F)(F)C1(CC1)C(=O)NCc2cc(F)c(c(c2)[N+](=O)[O-])Cl	9
+FC(F)(F)C1(CC1)CN2CCC(CC2)c3cc4c(cnc(-c5ccc(cc5F)S(=O)(=O)C)c4)o3	123
+FC(F)(F)C1(CCC(CC1)(NC(Cc2cc(ccc2C)Br)=O)C(=O)OC)OC	726
+FC(F)(F)C1(CCC(CC1)(C(OC)=O)NC(Cc2cc(ccc2C)-c3ccc(cc3)Cl)=O)OC	726
+FC(F)(F)C1(CCC2(CC1)C(=C(C(=O)N2)c3c(ccc(c3)Br)C)O)OC	997
+FC(F)(F)C1(CCC(CC1)CO)O	21
+FC(F)(F)C1(CCC(CC1)CN2Cc3c(C2C(C)C)ccc(C(NCc4ccc(cc4)S(=O)(=O)CC)=O)c3)O	61
+FC(F)(F)C1(CCC(CC1)C=O)O	24
+FC(F)(F)C1(CCC(CC1)(C(O)=O)N)OC	4703
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)CCNC1	25
+FC(F)(F)C1(CCN(CC1)CC=Cc2ccc(cc2)C#Cc3ncc(cc3)-c4ccc(cc4)Cl)O	2613
+FC(F)(F)c1nc(n(-c2ccc(cc2)S(=O)(=O)C)c1)-c3ccc(cc3)C	3050
+FC(F)(F)c1nc(n(-c2ccc(cc2)S(=O)(=O)C)c1)-c3ccccc3	3050
+FC(F)(F)C1(CO1)CNc2c3c(cc(C)c2)n(-c4ccccc4)nc3	4704
+FC(F)(F)C1(c2cc(ccc2N(Cc3ccc(cc3)OC)C(N1)=O)Br)CN	157
+FC(F)(F)C1(Cc2cc(ccc2O1)-c3c(F)c(ccc3)N)c4cc(Cl)cc(Cl)c4	0
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)Oc3ccc(I)cc3C1	158
+FC(F)(F)c1nc(-c2ccc(c(Cl)c2)C)n(-c3ccc(cc3)S(=O)(=O)C)c1	3050
+FC(F)(F)C(O)(CNCc1ccccc1)CNC(c2cnn(-c3ccc(cc3)F)c2N)=O	122
+FC(F)(F)C1(ON=C(c2cnc(c(Cl)c2)C#N)C1)c3cc(Cl)cc(Cl)c3	577
+FC(F)(F)CNC(CNC(=O)c1sc(C2=NOC(C(F)(F)F)(C2)c3cc(Cl)c(c(Cl)c3)F)c4c1CCC4)=O	1816
+FC(F)(F)C1(ON=C(C1)c2sc(c3c2CCC3)C(O)=O)c4cc(Cl)c(c(Cl)c4)F	1
+FC(F)(F)C1(ON=C(C1)c2cc(c(nc2)CN)Cl)c3cc(Cl)cc(Cl)c3	421
+FC(F)(F)C1(CC2CCCc3c(cc4c(n(nc4)-c5ccc(cc5)F)c3)C2(C(=O)NC6CC6)CC1)O	4504
+FC(F)(F)C1(c2ccccc2-c3c1cc(cc3-c4cn(C(C)(C)C(=O)O)nc4)OCC(C)O)O	3
+FC(F)(F)C1(CNC(c2ccc(cc2)F)=O)NC(=O)Nc3ccc(Br)cc13	9211
+FC(F)(F)C1(c2cc(Cl)c(c(c2)Cl)Cl)CCN(C1)c3ccc(c(C)n3)C#N	9212
+FC(F)(F)C1(c2cc(Cl)c(c(c2)Cl)Cl)CCN(c3cccc(C)n3)C1	43
+FC(F)(F)C1(ON=C(C1)c2cccc(c2)N)c3cc(Cl)cc(Cl)c3	0
+FC(F)(F)C1(CC(=NO1)c2sc(C(O)=O)c3c2CCCC3)c4cc(Cl)cc(Cl)c4	1
+FC(F)(F)C1(CC(=NO1)c2ccnc3c2cccc3C#N)c4cc(Cl)cc(Cl)c4	2779
+FC(F)(F)C1(Cc2cc(ccc2O1)N)c3cc(Cl)cc(Cl)c3	0
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)Oc3c(cc(cc3)-c4cccc(N)c4)C1	134
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)CCN(c3cc(c(cc3)C(O)=O)[N+]([O-])=O)C1	1
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)CCN(c3cc([N+]([O-])=O)c(C(=O)OC)cc3)C1	34
+FC(F)(F)C1(c2c(N(C(=O)N1)Cc3ccc(cc3)OC)ccc(c2)Br)CNC(c4ccc(cc4)F)=O	14
+FC(F)(F)C1(c2ccccc2-c3c(cc(cc13)OCC(C)O)-c4cn(C(C)(C)C(N)=O)nc4)O	83
+FC(F)(F)C1=C(C(N(C(c2cc(-c3cc4[nH]c(cc4cc3)C(=O)O)ccc2)=C1)Cc5c(cc(cc5)C)C)=O)C#N	6
+FC(F)(F)c1cc(C#N)nc(c1)Cl	9213
+FC(F)(F)C1=CC(N(c2c(cc(Cl)c(OC)c2[N+](=O)[O-])F)C(=O)N1C)=O	4705
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2c(cc(c(c2N)[N+](=O)[O-])Cl)F	623
+FC(F)(F)C=1N(C(=O)N(C(=O)C=1)c2c(c(I)c(cc2F)Cl)OC)C	158
+FC(F)(F)C=1N(C(=O)N(C(=O)C=1)c2c(NC(c3c(F)cc(cc3)F)=O)c(OC)c(cc2F)Cl)C	50
+FC(F)(F)C1=CC(N(c2c(N)c(c(cc2F)Cl)C)C(N1C)=O)=O	0
+FC(F)(F)C1=CC(=O)N(c2c(cc(c3cc(C)oc23)Cl)F)C(N1C)=O	9214
+FC(F)(F)C1=CC(N(C(N1C)=O)c2c(F)cc(c3c2oc(C)c3C(=O)C)Cl)=O	2617
+FC(F)(F)C=1N(C)C(N(c2cc(c(cc2F)Cl)Oc3ccc(cc3)O)C(=O)C=1)=O	16
+FC(F)(F)C1=CC(N(c2nccn12)c3c(F)cc(Br)c([N+](=O)[O-])c3)=O	77
+FC(F)(F)C1=CC(=O)N(C(N1C)=O)c2c(F)cc(Cl)c(OC)c2N	0
+FC(F)(F)C1=CC(N(c2nccn12)c3cc(NS(=O)(=O)C)c(C#N)cc3F)=O	180
+FC(F)(F)C1=CC(=O)N(c2cc(Oc3ccc(cc3)OCc4ccccc4)c(cc2F)Cl)C(=O)N1C	1030
+FC(F)(F)C1=CC(N(c2cc(NS(=O)(=O)C)c(cc2F)Br)c3nccn13)=O	80
+FC(F)(F)C1=CC(N(c2cc(c(cc2F)Br)N)c3nccn13)=O	0
+FC(F)(F)C=1N(C)C(C(c2c(cc(Cl)c(N)c2)Cl)=NC=1)=O	0
+FC(F)(F)c1nn(c(OC(F)F)c1C)C(C)C	9215
+FC(F)(F)C1C(C(OCC)=O)=Cc2cc(C#N)ccc2O1	1308
+FC(F)(F)C1C(C(NC(NC(=O)c2ccccc2)=S)(c3ccccc3F)CO1)CO	1993
+FC(F)(F)C1C2CSC(=NC2(CO1)c3ccccc3F)NC(=O)c4ccccc4	9216
+FC(F)(F)C1C(=Cc2c(O1)ccc(C#N)c2)C(=O)O	108
+FC(F)(F)C1Oc2c(cc(C)cc2C=C1C(OCC)=O)CI	4706
+FC(F)(F)C1C2C(NC(=N)SC2)(CO1)c3ccccc3F	9217
+FC(F)(F)C1CC(CF)(NC(=N)O1)c2c(ccc(n2)NC(=O)c3ccc(cn3)C#N)F	9218
+FC(F)(F)C1CC(O)(CNC(=O)c2cn(c3c2c(ccc3)Cl)CC4OCCC4)CCC1	56
+FC(F)(F)C1CC(N=C(N)O1)(CF)c2c(ccc(Br)n2)F	9219
+FC(F)(F)C1CCC(CC1)CN	15
+FC(F)(F)C1CCC(CC1)C(=O)CN2CCC(CC2)N3c4ccc(S(=O)(=O)C)cc4NC3=O	2382
+FC(F)(F)C1CCC(CC1)C(=O)N	83
+FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C	61
+FC(F)(F)C1CCC(CC1)C=O	24
+FC(F)(F)C1CCC(CC1)NC(c2c(OCCOC)nc(NC)c(c2)N)=O	13
+FC(F)(F)C1CCC(CC1)NC(c2c(nc(c([N+]([O-])=O)c2)Cl)OCCOC)=O	475
+FC(F)(F)C1CCC(CC1)NC(c2c(OCCF)nc(c([N+]([O-])=O)c2)Cl)=O	475
+FC(F)(F)C1CCC(CC1)NC(=O)c2c(OCCF)nc(NC)c(N)c2	13
+FC(F)(F)C1CCC(CC1)NC(c2c(OCCF)nc(c([N+](=O)[O-])c2)NC)=O	70
+FC(F)(F)C1CCC(CC1)NC(=O)c2cc([N+](=O)[O-])c(NC)nc2OCCOC	70
+FC(F)(F)C1CCC(CC1)Oc2ccc3cc(CN4CC(C4)C(=O)O)ccc3c2	4
+FC(F)(F)C1CN(c2c(Cl)cc(c(c2)NC)N)CCC1	0
+FC(F)(F)C1N(c2ncc(cn2)-c3cccc(NC(C(C)n4cnc5N(C)C(=O)N(C(=O)c45)C)=O)n3)CCC1	142
+FC(F)(F)C1CCN(CC1)CCO	95
+FC(F)(F)C1CCN(CC1)CCOc2ccc3c(c2)cc(C(OCC)=O)o3	126
+FC(F)(F)C1CCN(CC1)CCOc2ccc3c(c2)cc(C(=O)O)o3	6
+FC(F)(F)C1CCN(CC1)c2c(C#N)cc(N)c(c2)NC	0
+FC(F)(F)C1CCN(CC1)c2cc3n(C)c(nc3cc2Cl)Nc4cc(c(F)cc4Cl)C#N	1023
+FC(F)(F)C1CCN(CC1)c2cc(NC)c(N)cc2Cl	0
+FC(F)(F)C1CCN(CC1)c2cc3n(C)c(nc3cc2Cl)Nc4c(cc(c(CN)c4)F)Cl	107
+FC(F)(F)C1c2ccccc2N(CC1)C(C(N)=O)C	83
+FC(F)(F)C1CCN(c2c1cccc2)C(C(=O)O)C	3
+FC(F)(F)C1CCN(CC1)c2c(C#N)cc(c(NC)c2)[N+](=O)[O-]	202
+FC(F)(F)C(O)CN1CCCC(c2cc(S(=O)(=O)C)ccc2)C1	170
+FC(F)(F)C1C(C(OCC)=O)=Cc2cc(C)cc(CO)c2O1	41
+FC(F)(F)C1C(=Cc2cc(C=NO)ccc2O1)C(OCC)=O	135
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4n(cc(CC(F)(F)F)n4)CCO	54
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4nc(cn4CCOS(=O)(=O)C)CC(F)(F)F	7
+FC(F)(F)C1CCN(C(CN)C)c2c1cccc2	15
+FC(F)(F)C=1C=C(C)N(c2c(Cl)ccc(c2)C(N(c3cccc(F)c3Cl)C)=O)C(N=1)=O	610
+FC(F)(F)C=1C=C(C)N(C(N=1)=O)c2c(ccc(C(O)=O)c2)Cl	6
+FC(F)(F)C=1N(C(=O)N(c2c(O)c(c(Cl)cc2F)I)C(=O)C=1)C	5
+FC(F)(F)C=1N(C)C(N(c2c(cc(c(Oc3ccc(cc3)OCc4ccccc4)c2)[N+](=O)[O-])F)C(=O)C=1)=O	46
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2cc(c([N+](=O)[O-])cc2F)Oc3c(ccnc3)OCc4ccccc4	551
+FC(F)(F)C=1N(C(N(C(C=1)=O)c2cc3c(cc2)snc3-c4ccc(O)c(c4)C)=O)C	5
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(F)cc(Cl)c(C)c2NC(Oc3ccccc3)=O	9220
+FC(F)(F)C1=CC(=O)N(c2c(cc(Br)c3OC(Cc23)C)F)C(N1C)=O	4258
+FC(F)(F)C=1N(C)C(N(c2c(cc(N)c(Oc3c(OCc4ccccc4)ccnc3)c2)F)C(=O)C=1)=O	0
+FC(F)(F)C1=CN=C(c2c(cc(c([N+](=O)[O-])c2)Cl)Cl)C(=O)N1C	31
+FC(F)(F)C1=CN=C(c2c(cc(Cl)c(O)c2)F)C(N1C)=O	5
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2cc(c(cc2F)Cl)C(=O)O	6
+FC(F)(F)C=1N(C(N(c2c(cc(Br)c(O)c2CC=C)F)C(=O)C=1)=O)C	423
+FC(F)(F)C1=CC(N(c2cc(c(N)cc2F)Oc3ccc(cc3)OCc4ccccc4)C(=O)N1C)=O	0
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(cc(c(c2F)[N+]([O-])=O)Cl)F	31
+FC(F)(F)c1cc(nn1C)Oc2cc(Oc3c(cccc3)OCC(OC)=O)c(cc2)[N+]([O-])=O	9221
+FC(F)(F)C1=CC(=O)N(C(=O)N1)c2cc3c(snc3Cl)cc2	9222
+FC(F)(F)C1=CC(=O)N(c2c(F)cc(Cl)c(C)c2[N+](=O)[O-])C(N1C)=O	4705
+FC(F)(F)C1=CC(=O)N(C(=O)N1)c2c(cc(c(c2[N+]([O-])=O)OC)Cl)F	31
+FC(F)(F)C=Cc1ccc(C(Nc2cc3N(CCCc3cc2)C(=O)C)=O)c(c1)C	67
+FC(F)(F)CC(=O)NN	743
+FC(F)(F)CC(C)CO	2859
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)CO	1427
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O	86
+FC(F)(F)CC(C)(C)CC1=Nc2n(cnc2C(N1c3ccc(cc3)Cl)=O)C	9223
+FC(F)(F)CC(C(N)CO)C	21
+FC(F)(F)CC(C)C(C(=O)O)N	4707
+FC(F)(F)CC(C(NS(=O)(=O)c1sc(cc1)Cl)C(O)C)C	684
+FC(F)(F)CC(C)C(NS(=O)(=O)c1ccc(s1)Cl)C=O	24
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3c(OC)cc(C(=O)NS(=O)(=O)c4ccccc4C)cc3)cn(C)c2cc1	14
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3ccc(C(=O)OC)cc3OC)c[nH]c2cc1	14
+FC(F)(F)CC(C)CNC(=O)c1cc2c(cc1)[nH]cc2Cc3c(OC)cc(C(O)=O)cc3	1
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3ccc(C(=O)OCc4ccccc4)cc3OC)c[nH]c2cc1	47
+FC(F)(F)CC(C=O)C	24
+FC(F)(F)Cc1n2c(nc1)c(C#N)c(cc2)Br	9224
+FC(F)(F)CC(Nc1nc(Cl)c(C#N)nc1)C(N)=O	2941
+FC(F)(F)CC(Nc1nc(Nc2ccc3c(cccn3)c2)c(nc1)C(N)=O)C(N)=O	1198
+FC(F)(F)CC(Nc1cnc(C#N)c(Nc2ccc3c(cccn3)c2)n1)C(N)=O	1410
+FC(F)(F)CCCNC1CCCCC1	15
+FC(F)(F)CCC(C#N)(C#N)CCCCCF	559
+FC(F)(F)CCC(C#N)(C#N)CCCCCO	118
+FC(F)(F)CCC(C#N)(C#N)Cn1nc(C(F)(F)F)c(Br)c1	9225
+FC(F)(F)CCC(C#N)(C#N)CCCCCOCc1ccccc1	3745
+FC(F)(F)CCC(C(O)=O)N1CC(=CC1=O)Oc2c(cccc2)Cl	4
+FC(F)(F)CCC(c1cccc(c1)Cl)CI	343
+FC(F)(F)CCC(N(Cc1c(cc(C(N)=NO)cc1)F)S(=O)(=O)c2ccc(cc2)Cl)C(N)=O	253
+FC(F)(F)CCC(NS(=O)(=O)c1ccc(cc1)Cl)C(N)=O	1946
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC(CO)O)n3	265
+FC(F)(F)CCC(C(OC)=O)N1C(C=C(C1)Oc2c(cccc2)Cl)=O	9226
+FC(F)(F)CCC(CO)c1cc(ccc1)Cl	647
+FC(F)(F)CCCOc1ccc2c(scc2NC(OCC)=O)c1	8
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)OCC	601
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)O	6
+FC(F)(F)CCCc1cncc2c1cc(OC)cc2	9227
+FC(F)(F)CCCN(c1ccc(cc1[N+](=O)[O-])Br)C2CCCCC2	34
+FC(F)(F)CCCNc1ccc(cc1N)C#N	0
+FC(F)(F)CCCOc1ccc(cc1)C=O	126
+FC(F)(F)CCCOc1ccc(cc1)C(=O)C(F)(F)F	2177
+FC(F)(F)CCCOc1ccc(cc1)C(O)C(F)(F)F	714
+FC(F)(F)CCCc1c2cc(OC3CCNCC3)ccc2cnc1	2
+FC(F)(F)CCCc1cncc2ccc(cc12)O	5
+FC(F)(F)CCCn1c2c(nc1CO)cc(CN)cc2	107
+FC(F)(F)CCCn1c(CO)nc2cc(ccc12)C#N	59
+FC(F)(F)CCN1CC(CC1)Nc2ccc(C#N)c(c2)Cl	183
+FC(F)(F)CCNC(=O)c1ccc(cc1)C(=O)C	14
+FC(F)(F)CCN1CCC(CC1)CN	15
+FC(F)(F)CCN1CCC(CC1)C(=O)O	3
+FC(F)(F)CCN1CCC(CC1)CNCC(COc2cccc3[nH]c(cc23)C)O	122
+FC(F)(F)CCN1CCN(CC1)c2cc(c(cc2N)Cl)Cl	0
+FC(F)(F)CCN1CCN(CC1)c2c(ccc(Cl)c2)NC(c3cc4CNCCc4cc3)=O	2
+FC(F)(F)CCN1CCN(CC1)c2c(cc(c(c2)Cl)Cl)NC(=O)c3c(cc(CBr)cc3)F	67
+FC(F)(F)CCOc1ccc(cc1)-n2c(c(nc2-c3ccc(cc3Cl)Cl)C(=O)OCC)C	20
+FC(F)(F)CCOS(=O)(=O)c1ccc(cc1)C	36
+FC(F)(F)CCOc1cc(C=O)ccc1	450
+FC(F)(F)CCOc1c(cc(c(C(=O)O)c1Cl)F)Cl	634
+FC(F)(F)CCOc1cc(CNCCc2c3cc(ccc3[nH]c2)OC)ccc1	42
+FC(F)(F)CCOc1ccc(cc1)-n2c(-c3c(Cl)cc(cc3)Cl)nc(C(=O)O)c2C	6
+FC(F)(F)CCS(=O)(=O)CCCN(CCCO)CCCCCCC1=C(CCCc2c1ccc(O)c2)c3ccccc3	28
+FC(F)(F)CCS(=O)(=O)CCCN(CCO)CCCCCCC1=C(CCCc2cc(O)ccc12)c3cccc(c3)O	28
+FC(F)(F)CCSCCC(=O)Nc1c(Cl)nn(-c2cccnc2)c1	4708
+FC(F)(F)CCSCCC(=O)N(c1c(Cl)nn(-c2cccnc2)c1)CC	9228
+FC(F)(F)CCc1c(ccc(C(=O)C)c1O)OCCCOc2cc(NC(C(OC)=O)=O)ccc2	5
+FC(F)(F)CCc1c(ccc(C(C)=O)c1OC)OCCCOc2cc(NC(C(OC)=O)=O)ccc2	994
+FC(F)(F)CCc1c(ccc(C(C)=O)c1OC)OCCCOc2cc(ccc2)N	0
+FC(F)(F)COc1ccccc1OC	3525
+FC(F)(F)Cn1cc(c(n1)-c2ccc(cc2)OCc3ccccc3)-c4ccncc4	9229
+FC(F)(F)CNCc1c(-c2cc(CC(=O)OC)ccc2OC)ccc(c1)C(F)(F)F	42
+FC(F)(F)CNC(c1ccc(C)c(c1)-c2nc(nc3N(C(=O)C=Cc23)c4c(F)cccc4F)NCCCN(CC)CC)=O	14
+FC(F)(F)CNc1ccc(cn1)[N+](=O)[O-]	70
+FC(F)(F)CNc1c(c(Cl)nc(-n2ccnc2)n1)-c3c(cc(cc3F)F)F	40
+FC(F)(F)CNC(=O)c1cnc(OCc2c(noc2C)-c3ccccc3F)cc1	1650
+FC(F)(F)CN1C(O)(c2c(NC1=O)ccc(F)c2)c3ccccc3	9230
+FC(F)(F)CNC(C1CC(=O)N(Cc2ccccc2)C1)=O	248
+FC(F)(F)CNc1c(cc2c(oc(c2C(NC)=O)-c3ccc(cc3)F)n1)-c4ccc(F)c(C(O)=O)c4	70
+FC(F)(F)CNC(=O)c1ccc(cc1)C=O	93
+FC(F)(F)CNC(C1(c2ccccc2-c3c1cccc3)CCCCBr)=O	68
+FC(F)(F)CN(c1ccc(cn1)N)C	13
+FC(F)(F)CN(c1ncc(cc1)NC(c2c(nn(n2)-c3ccccc3)C)=O)C	1285
+FC(F)(F)CN1C=C(c2ccc(cc2)F)C(=O)C(C(Nc3ccc(cc3)-c4cc(cnc4N)-c5cn(C)nc5)=O)=C1	9231
+FC(F)(F)CN1CCC(CC1)N	316
+FC(F)(F)CN1CCC(CC1)COc2cc(F)c(cc2C3CC3)C(=O)O	1
+FC(F)(F)CN1CCC(CC1)NC(c2cnc(cc2)-c3cccc(C#N)c3)=O	56
+FC(F)(F)CN1CCC(CC1)NC(=O)c2cnc(-c3ccccc3F)cc2	56
+FC(F)(F)CN1CCC(CC1)c2ccc(cc2)N	2737
+FC(F)(F)CN1CCC(CC1)c2ccc(cc2)NC=O	9232
+FC(F)(F)CN1CCNCC(C1=O)NC(OC(C)(C)C)=O	62
+FC(F)(F)CN1CCN(Cc2c(F)c(ccc2)F)CC(C1=O)N	84
+FC(F)(F)CN1CCN(Cc2cccc(F)c2F)CC(NC(=O)OC(C)(C)C)C1=O	48
+FC(F)(F)CNC(=S)Nc1ccnc(SCCCC#N)n1	9233
+FC(F)(F)CNC(=S)Nc1cccc(CO)c1	2898
+FC(F)(F)CNC(=N)Nc1nc(ncc1)SCCCC(=O)N	645
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2cnc3n2ncc(-c4cc(C(=O)O)ccc4)c3	1
+FC(F)(F)CNC(=O)c1ccc(cc1)C=NO	135
+FC(F)(F)CNC(=N)Nc1cccc(CO)c1	3051
+FC(F)(F)CNC(=N)Nc1nc(SCCCC#N)ncc1	3051
+FC(F)(F)CNC(=O)C1(c2c(-c3c1cccc3)cccc2)CCCCN4CCN(CC4)c5ccc(cc5)[N+]([O-])=O	28
+FC(F)(F)CNCC1CN(Cc2ccccc2)C(C1)=O	15
+FC(F)(F)CN=C(N)Nc1nn(CCCCC#N)cn1	3672
+FC(F)(F)CNCC1(CCN(CC1)c2c3n(nc(Nc4ccc(cc4)C(N(C)C5CCN(CC5)C)=O)n3)ccc2)CO	3694
+FC(F)(F)CNCC1CCNC1	25
+FC(F)(F)CNCC1CN(CC1)Cc2ccccc2	15
+FC(F)(F)c1ccc(-c2c(ccc(CC(=O)OC)c2)OC)c(CN(C(=O)C)CC(F)(F)F)c1	58
+FC(F)(F)CNc1c(nc(Cl)nc1)C(N)=O	314
+FC(F)(F)CNc1ncc(Cl)cc1C(=O)O	6
+FC(F)(F)COc1ncc(C2(CCC(CC2)N3CC(C3)NC(CNC(c4cc(C(F)(F)F)ccc4)=O)=O)O)cc1	430
+FC(F)(F)COc1c(cc(F)c(OC(c2c(C)nc(-c3ccc(cc3)C(F)(F)F)s2)CC)c1)C#N	57
+FC(F)(F)COc1ncc(C(=O)O)cc1I	91
+FC(F)(F)COc1ncc(C=O)nc1	799
+FC(F)(F)COc1nc(nc(NC2CN(CC2)S(=O)(=O)C)n1)Nc3cc(c(cc3)F)Cl	2221
+FC(F)(F)COc1ncc(cc1Br)[N+](=O)[O-]	91
+FC(F)(F)COc1ncc([N+]([O-])=O)cc1Cl	91
+FC(F)(F)COc1c(cnc(C#N)c1Cl)Cl	260
+FC(F)(F)COc1c(ccc(F)c1)[N+]([O-])=O	57
+FC(F)(F)COc1c(ccc(n1)C(=O)O)Br	91
+FC(F)(F)COC(=O)c1cc(CCCC)n(Cc2ccc(cc2)-c3ccccc3-c4[nH]nnn4)n1	226
+FC(F)(F)COCCOc1c(cc(Cc2ccc(cc2)CC)c(c1)Cl)Br	1515
+FC(F)(F)COc1ccc(cc1)[N+]([O-])=O	57
+FC(F)(F)COCCOCCOCCOCCOCCOCCOCc1ccccc1	1117
+c1ccccc1CON(C=O)CC(C(C(CC(P(OCC)(OCC)=O)O)O)O)O	9234
+FC(F)(F)COCCOCCOCCOCCOCCOCCOCC(=O)O	3
+FC(F)(F)COCc1nc(nc(COS(=O)(=O)C)c1)Cl	7
+FC(F)(F)COCc1cc(CO)nc(n1)Cl	453
+FC(F)(F)COCc1cc(nc(n1)Cl)C=O	1406
+FC(F)(F)CN1CCOC(C=C2c3ccccc3CCc4ccccc24)C1	9235
+FC(F)(F)COc1ccc(cc1[N+]([O-])=O)F	9236
+FC(F)(F)COc1c(Cl)cc(cc1-c2ccc(cc2)C)C3(CCC3)C(=O)OCC	11
+FC(F)(F)COc1ncc(cc1-c2ccc(cc2)Cl)N	89
+FC(F)(F)COc1ncc(cc1C)C(C)N2C(=O)c3c(c(ncc3)Cl)C2	3047
+FC(F)(F)COc1c(cccc1CC#N)Cl	163
+FC(F)(F)COc1c(Cl)cc(cc1-c2ccc(cc2)C)C(C(O)=O)CC3CC3	3
+FC(F)(F)COc1c(Cl)cc(C(CC2CC2)C(=O)OCC)cc1-c3ccc(cc3)C	11
+FC(F)(F)COc1c(cc(cc1Cl)C2(CCC2)C(=O)O)-c3ccc(cc3)C	3
+FC(F)(F)COc1cc(ccc1F)CCN	51
+FC(F)(F)COc1c(OCCO)cccc1	44
+FC(F)(F)COc1c(OCCOS(=O)(=O)C)cccc1	7
+FC(F)(F)COc1ncc(C(=O)Nc2ccncn2)cc1C3CCCCC3	2370
+FC(F)(F)COc1c(C2CCCCC2)cc(C(NN(c3nnc(Cl)cc3)C)=O)cn1	1325
+FC(F)(F)COc1cc(c(S(=O)(=O)NC)cc1N)F	0
+FC(F)(F)COc1cc2ncnc(O)c2cc1OC	9237
+FC(F)(F)COc1c(C2CCCCC2)cc(cn1)C(Nc3cnccc3)=O	671
+FC(F)(F)COc1cc(c(cc1[N+](=O)[O-])S(=O)(=O)Cl)F	240
+FC(F)(F)COc1cc(C2(CCCC2)C(OCC)=O)ccc1N	0
+FC(F)(F)COc1nc(ccc1C2CC2)C(O)=O	2060
+FC(F)(F)COc1c(CC(O)=O)cccc1Cl	508
+FC(F)(F)COc1c(c(ncc1Cl)C(=O)N)Cl	4709
+FC(F)(F)COc1c(Cl)ccc(c1)C2=CC(=O)n3c(N2)c(-c4oc(C)cn4)cn3	1915
+FC(F)(F)COc1cc(C(=O)O)ccc1Cl	1
+FC(F)(F)COc1c(N)c(cc(C2(CCCC2)C(OCC)=O)c1)Cl	196
+FC(F)(F)COc1c(cc(c(c1)N)C(=O)OCC)OC	0
+FC(F)(F)COc1cc(n[nH]1)N	1131
+FC(F)(F)COc1c(cc(c(F)c1)S(=O)(=O)NC)[N+]([O-])=O	71
+FC(F)(F)COc1c(Br)ccc(C(O)=O)c1	1
+FC(F)(F)COc1c(ccc(C(N2CC(C2)F)=O)c1)Nc3nn4ccc(Cl)cc4n3	490
+FC(F)(F)COc1c(CC(OC)=O)ccc(c1)OCC2OC2	8
+FC(F)(F)COc1cc(ccc1CC(OC)=O)O	16
+FC(F)(F)COc1c(F)ccc(CC#N)c1	163
+FC(F)(F)COc1cc(ccc1F)CCNCC2COCC2	110
+FC(F)(F)COc1cc(C(CC2CCC2)C(=O)OC)ccc1N	0
+FC(F)(F)COc1c(C2CC2)cnc(C(NC(c3nnn[nH]3)(C)CC4CC4)=O)c1	420
+FC(F)(F)COc1c(C(=O)NCc2nc(ccc2)O)cc(O)cc1	16
+FC(F)(F)COc1ccc(cc1)N2CCNCC2	2
+FC(F)(F)COc1ccc(cc1)N2CCN(CC2)S(=O)(=O)C	112
+FC(F)(F)COc1ccc(cc1)N	0
+FC(F)(F)COc1c(cc(cc1)F)N2CCN(CC2)CCCNC(c3c(noc3C)-c4ccccc4)=O	53
+FC(F)(F)COc1c(cc(F)cc1)N	0
+FC(F)(F)COc1ccccc1O	5
+FC(F)(F)COc1cnc(C(C)NC(Cc2ccc(cc2)-c3c(C4CC4)nccn3)=O)cc1	9
+FC(F)(F)COc1cccc(CO)n1	398
+FC(F)(F)COc1cccc(CN)n1	18
+FC(F)(F)COc1nc(ccc1)CC#N	9238
+FC(F)(F)COc1nc(CN=[N+]=[N-])ccc1	4454
+FC(F)(F)COc1ncc(cc1I)C(=O)Nc2cnccc2	3052
+FC(F)(F)COc1c(cc(C(=O)O)cn1)C2CCCCC2	1
+FC(F)(F)COc1c(cc(cn1)N)Cl	13
+FC(F)(F)COc1c(cc(cn1)NC(c2cc(cnc2)C)=O)-c3ccc(cc3)Cl	3052
+FC(F)(F)COc1ncc(cc1-c2ccc(cc2)Cl)NC(=O)c3cc(nn3C)C	510
+FC(F)(F)COc1c(Br)cc(cn1)N	13
+FC(F)(F)COc1ncc(cc1C)C(C)N2Cc3c(C2=O)ccnc3C(Oc4ccccc4)=O	4710
+FC(F)(F)COc1ncc(C(OC)=O)cc1C2CCCCC2	671
+FC(F)(F)COc1cc2n(C(=O)C=C(N2Cc3ccc(Cl)nc3)C)n1	9239
+FC(F)(F)CSc1cc(O)ccc1C	956
+FC(F)(F)CSc1cc(ccc1C)OCCCCCSC#N	9240
+FC(F)(F)Cc1ccc(cc1)C2CNCC(C(OC)=O)C2	9241
+FC(F)(F)Cc1ccc(cc1)-c2cncc(C(=O)OC)c2	305
+FC(F)(F)Cc1ccc(cc1)C2CN(C(N3CCSCC3)=O)CC(C2)C(O)=O	4
+FC(F)(F)Cc1ccc(cc1)C2CC(CN(C(N3CCSCC3)=O)C2)c4nc(no4)OCCOC	9242
+FC(F)(F)Cc1ccc(cc1)C2CN(C(=O)Oc3ccc(cc3)[N+]([O-])=O)CC(C2)C(=O)OC	66
+FC(F)(F)Cc1ccc(cc1)N2CCC3(C2=O)C(CN(CC3)Cc4ccccc4)O	2007
+FC(F)(F)Cc1ccc(cc1)N2C(=O)C3(CCN(CC3O)S(=O)(=O)c4c(Cl)cccc4)CC2	92
+FC(F)(F)Cc1ccc(cc1)N2CCC3(C(CNCC3)O)C2=O	25
+FC(F)(F)Cc1cc(cc(C)c1OCc2ccccc2)I	184
+FC(F)(F)Cc1cccc(C)c1OCc2ccccc2	22
+FC(F)(F)Cc1cccc(c1O)C	5
+FC(F)(F)Cc1nnc2n1CC(c3c(F)c(ccc3)F)CCC2N	12
+c1cc(ccn1)Cn2ncnc2-c3sc4CCOc5c(ccc(c5)Br)-c4n3	9243
+FC(F)(F)Cn1c2cccc(Cl)c2c(c1)C(NCC3(O)CC(F)(F)CC(C)C3)=O	56
+FC(F)(F)Cn1nc(c(c1)-c2ccncc2)-c3ccc(cc3)O	16
+FC(F)(F)Cn1nc(c(c1)-c2ccncc2)-c3ccc(cc3)OCc4nc5c(cccc5)n4CF	20
+FC(F)(F)Cn1cc(-c2n(S(=O)(=O)C)c3c(cnc(Br)c3)c2)cn1	4711
+FC(F)(F)Oc1ccccc1-c2cc(C(=O)O)c(C)n2CC3OCCC3	1
+FC(F)(F)Oc1ccccc1-c2nc(ncn2)Nc3cc(ccc3)CS(=O)(=O)C	1582
+FC(F)(F)Oc1ccccc1-c2cccc(c2)C(C)=O	11
+FC(F)(F)Oc1ccccc1C(Cl)=NO	761
+FC(F)(F)Oc1c(cc(C(COC)=O)cc1)F	586
+FC(F)(F)Oc1c(F)cc(cc1)C(c2ncccc2F)NC(c3nc([N+](=O)[O-])c(cc3)O)=O	390
+FC(F)(F)Oc1c(F)cc(cc1)C(NC(=O)c2nc(c(OC)cc2)[N+](=O)[O-])c3ncccc3F	81
+FC(F)(F)Oc1c(F)cc(C(NC(=O)c2nc(c(cc2)O)N)c3ncccc3F)cc1	161
+FC(F)(F)Oc1c(cc(C(Nc2ccc(-c3ccccc3F)nc2)=O)cc1)N	140
+FC(F)(F)Oc1c(c(cc(C(=O)OC)c1)Cl)O	196
+FC(F)(F)Oc1cc(C(=O)N2CSc3c2cccc3)cc(Cl)c1OC	448
+FC(F)(F)Oc1c(c(C#N)cc(C(O)=O)c1)OC	1421
+FC(F)(F)Oc1c(S(=O)(=O)N)ccc(c1)C(=N)NO	181
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)CN)ccc(c1)Br	15
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)C(=O)N)ccc(Br)c1	83
+FC(F)(F)Oc1cc(cc(c1OC)Cl)C(OC)=O	297
+FC(F)(F)Oc1ccc(C(COC)=NO)cc1F	189
+FC(F)(F)Oc1c(cc(C(COC)NC(c2nc(nc(O)c2)N3CCCC3)=O)cc1)F	104
+FC(F)(F)Oc1c(cc(cc1)Cl)C2=CC(=O)N(C(C)C(=O)Nc3ccc(cc3)C(O)=O)C=C2C#N	153
+FC(F)(F)Oc1ccc(S(=O)(=O)N)cc1N	0
+FC(F)(F)Oc1c(S(=O)(=O)N)ccc(c1)C#N	180
+FC(F)(F)Oc1c(ccc(c1)C#N)C2C(=C(C)Nc3ccnc(OCC)c23)C(=O)O	9244
+FC(F)(F)Oc1c(C2C(=C(C)Nc3c2c(ncc3)OCC)C(=O)N)ccc(C#N)c1	3053
+FC(F)(F)Oc1cc(-c2ccc(s2)S(=O)(=O)n3ccc4cc(CCC(OC)=O)ccc34)ccc1	159
+FC(F)(F)Oc1cc(-c2ccc(s2)S(=O)(=O)n3ccc4cc(CCC(O)=O)ccc34)ccc1	4
+FC(F)(F)Oc1c(ccc(C#N)c1)C2c3c(ccnc3OCC)NC(=C2C(=O)OCCC#N)C	160
+FC(F)(F)Oc1cc(C#N)cc(-c2nc(no2)-c3ccc4c(c5c([nH]4)C(C(=O)O)CC5)c3)c1	3
+FC(F)(F)Oc1cc(cc(CO)c1)Cl	611
+FC(F)(F)Oc1c(OC)c(C#N)cc(c1)C(N2c3c(SC2)cccc3)=O	448
+FC(F)(F)Oc1cc(cc(Cl)c1)CC#N	1686
+FC(F)(F)Oc1cc2cc([nH]c2c(N(C)S(=O)(=O)c3cccs3)c1)C(=O)O	6
+FC(F)(F)Oc1ccc(O)c(c1)N	0
+FC(F)(F)Oc1ccc(cc1)C#CCCCO	1762
+FC(F)(F)Oc1ccc(F)c(Cc2n(c3c(N(C(=O)N(Cc4ccc(cc4)OC)C3=O)C)n2)Cc5ccc(cc5)Cl)c1	371
+FC(F)(F)Oc1cc(Cl)cc(COS(=O)(=O)C)c1	7
+FC(F)(F)Oc1cc(cc(Cl)c1OC)C(=O)O	1
+FC(F)(F)Oc1cccc(C(C)N)c1	474
+FC(F)(F)Oc1cc(N2CCC(N(CC2)C(CO)CCN3CC(O)C4(CC4)CC3)=O)ccc1	95
+FC(F)(F)Oc1cccc(c1)SC2CCOC(c3ccc(cc3)Cl)C2	2254
+FC(F)(F)Oc1cc(ccc1)S(=O)(=O)Nc2ccc(OC)c(C3CCN(CCC)C3)c2	15
+FC(F)(F)Oc1c(ccc(Br)c1)S(=O)(=O)N	336
+FC(F)(F)Oc1cc2ccc(nc2cc1)O	2900
+FC(F)(F)Oc1cc2cc([nH]c2c(N)c1)C(OCC)=O	13
+FC(F)(F)Oc1cc2c(c(N(C)S(=O)(=O)c3cccs3)c1)[nH]c(C(=O)N)c2	247
+FC(F)(F)Oc1cc(NS(=O)(=O)c2cccs2)c3c(c1)cc(C(=O)OCC)[nH]3	2412
+FC(F)(F)Oc1c(N)cc(cc1)C(Nc2cnc(Cl)cc2)=O	487
+FC(F)(F)Oc1ccc(C2CC(c3onc(OCC)n3)CN(C(=O)Oc4ccc(cc4)[N+](=O)[O-])C2)cc1F	66
+FC(F)(F)Oc1ccc(F)c(c1)Cc2n(Cc3ccc(cc3)Cl)c4c(n2)N(C)C(=O)NC4=O	9245
+FC(F)(F)Oc1cc(c(F)cc1)Cc2[nH]c3c(n2)C(=O)N(C(=O)N3C)Cc4ccc(cc4)OC	9246
+FC(F)(F)Oc1c(cc(N)cc1)NC(=O)CN2CCOCC2	0
+FC(F)(F)Oc1ccc(cc1)-c2nc(C(O)=O)c(C)[nH]2	6
+FC(F)(F)Oc1ccc(cc1)-c2cc(CCO)n(C)n2	21
+FC(F)(F)Oc1ccc(cc1)-c2cc(CNC(C(=C)N(C)S(=O)(=O)c3ccc(cc3)Cl)=O)ccn2	4712
+FC(F)(F)Oc1ccc(cc1)-c2cc(COc3ccc4c(ccn4CC(OCC)=O)c3)n(C)n2	20
+FC(F)(F)Oc1ccc(cc1)-c2cc(COc3cc4c(cc3)n(cc4)CC(=O)O)n(C)n2	3
+FC(F)(F)Oc1ccc(cc1)-c2cc(CO)n(C)n2	194
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C3CCCCC3)n2)Cc4ccc(cc4)C(=O)Nc5[nH]nnn5	4713
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C)n2)CCCO	44
+FC(F)(F)Oc1ccc(cc1)-c2cc(CC#N)n(C)n2	9247
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(c(cc3c2)CO)Cc4ccccc4	194
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(Cc4ccc(cc4)C)c(cc3c2)CO	194
+FC(F)(F)Oc1ccc(cc1)-c2cc3n(C)cc(C(=O)C(O)=O)c3cc2	4714
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(Cc4ccc(cc4)C)c(cc3c2)COC(C)=O	204
+FC(F)(F)Oc1ccc(cc1)-c2ccc3c(cc(COC(C)=O)n3Cc4ccccc4)c2	204
+FC(F)(F)Oc1ccc(cc1)-c2cnc(nc2)-c3ccc(cc3)C=O	345
+FC(F)(F)Oc1ccc(cc1)-c2cnc(nc2)Nc3cc(c(cc3)C)N	0
+FC(F)(F)Oc1ccc(cc1)-c2cc(CN)ccn2	107
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3cccc(OC(C)(C)C(O)=O)c3)c2	3
+FC(F)(F)Oc1ccc(cc1)-c2nn(c(c2)CCOc3cc4n(ccc4cc3)CC(O)=O)C	3
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)CO	4715
+FC(F)(F)Oc1ccc(cc1)-n2nc(nc2)-c3ccc(cc3)CCCN	45
+FC(F)(F)Oc1ccc(cc1)-n2ncc3c2ccc4c3ccc(c4)C=O	674
+FC(F)(F)Oc1ccc(cc1)-c2nccc(C#N)c2	140
+FC(F)(F)Oc1ccc(cc1)-c2ccc(nc2)N3CCN(C(OCC(=O)NC)=O)CCC3	89
+FC(F)(F)Oc1ccc(cc1)C=2C=CC=3N(C=2)C(=O)NN=3	2243
+FC(F)(F)Oc1ccc(cc1)-c2ccc3cc[nH]c3c2	495
+FC(F)(F)Oc1ccc(cc1)-c2cc3ccn(Cc4ccccc4)c3cc2	11
+FC(F)(F)Oc1ccc(cc1)-c2ccc(cc2)OC(CCCCCC)c3ccc(cc3)C(=O)NCCC(=O)OC	11
+FC(F)(F)Oc1ccc(cc1)-c2cc3cc(C(OCC)=O)n(Cc4ccc(cc4)C)c3cc2	11
+FC(F)(F)Oc1ccc(cc1)-c2cc3c(cc2)n(Cc4ccccc4)c(C(OCC)=O)c3	11
+FC(F)(F)Oc1ccc(cc1)-c2cnc(nc2)Cl	4172
+FC(F)(F)Oc1ccc(cc1)-c2cnc(nc2)Nc3cc([N+]([O-])=O)c(cc3)C	537
+FC(F)(F)Oc1ccc(cc1C(=O)O)Br	634
+FC(F)(F)Oc1ccc(cc1)C#CCC2(CCC2)CO	44
+FC(F)(F)Oc1ccc(cc1)C#CCC2(CCC2)COS(=O)(=O)C	7
+FC(F)(F)Oc1ccc(cc1)C#CCC2(CCC2)CI	572
+FC(F)(F)Oc1ccc(cc1)C#CCCCOS(=O)(=O)C	7
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc3ccn(c3cc2)CC(OCC)=O	126
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc3c(ccn3C(C(OCC)=O)C)cc2	262
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2c3c(ccn3CC(O)=O)ccc2	3
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2ccc3ccn(C(C)C(=O)O)c3c2	3
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc3ccn(c3cc2)CC(=O)O	3
+FC(F)(F)Oc1ccc(cc1)C(=NO)COC	189
+FC(F)(F)Oc1ccc(cc1)C(COC)=O	155
+FC(F)(F)Oc1ccc(cc1)C(=O)NC(C#N)(Cn2ncc3cc(ccc23)[N+]([O-])=O)C	93
+FC(F)(F)Oc1ccc(cc1)C(c2c(ccc(Br)c2)Cl)O	488
+FC(F)(F)Oc1ccc(cc1)Cc2cc(ccc2Cl)Br	452
+FC(F)(F)Oc1ccc(cc1)C2(CC2)N3CCC(CC3)ON4C(=O)c5ccccc5C4=O	9248
+FC(F)(F)Oc1ccc(cc1)C2(CC2)N3CCC(CC3)ONC(=O)Nc4ccc(cc4)F	9249
+FC(F)(F)Oc1ccc(cc1)C2(CC2)N3CCC(CC3)ON	670
+FC(F)(F)Oc1ccc(cc1)C2=CN3C(=NN(CCc4c(F)cccc4F)C3=O)C=C2	9250
+FC(F)(F)Oc1ccc(cc1)CC(C#N)C#N	9251
+FC(F)(F)Oc1ccc(cc1)C=Cc2occ(CO)n2	9252
+FC(F)(F)Oc1ccc(cc1)CN2C(CC(C)C2=O)c3ccccc3-c4ccccc4	1737
+FC(F)(F)Oc1ccc(cc1)C2N(c3nnc(cc3)C)C(C(=C2C(=O)c4ccc(cc4)N(C)C)O)=O	4716
+FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(Oc3c(ncc(C(=O)O)c3)N)C2)=O	1
+FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(Oc3cc(cnc3N)C(NC)=O)C2)=O	56
+FC(F)(F)Oc1ccc(cc1)CC2CC(C(O)=O)CCN2C(OC)=O	4
+FC(F)(F)Oc1ccc(cc1)CCNc2cc(Cl)nc(OC)n2	40
+FC(F)(F)Oc1ccc(cc1)CNC(C)=O	9
+FC(F)(F)Oc1ccc(cc1)-c2[nH]c(c(n2)C(=O)OCC)C	4152
+FC(F)(F)Oc1ccc(cc1)CN(CCCN2Cc3c(ccc(CC(=O)OC)c3)CC2)c4ncc(cn4)CC	61
+FC(F)(F)Oc1ccc(cc1)CN(CCCN2Cc3cc(ccc3CC2)CC(=O)O)c4ncc(cn4)CC	4
+FC(F)(F)Oc1ccc(cc1)CN(CCC=O)c2ncc(cn2)CC	24
+FC(F)(F)Oc1ccc(cc1)CNCC	15
+FC(F)(F)Oc1ccc(cc1)CN(CCCO)c2ncc(cn2)CC	117
+FC(F)(F)Oc1ccc(cc1)COc2nc3c(cc2)cc(cc3)O	805
+FC(F)(F)Oc1ccc(cc1)Cc2cc(C3(OC(CO)C(C(O)C3O)O)OC)ccc2Cl	353
+FC(F)(F)Oc1ccc(cc1)CC2NCCC(C(OC)=O)C2	3861
+FC(F)(F)Oc1ccc(cc1)-n2cnc(n2)Br	4717
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc(c(nc2)Cl)Br	246
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc([N+]([O-])=O)c(cc2Cl)F	50
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc(Br)c(cc2)F	67
+FC(F)(F)Oc1ccc(cc1)NC(=O)C2(CCN(CC2)S(=O)(=O)c3ccc(cc3)C)F	33
+FC(F)(F)Oc1ccc(cc1)NC2=C(c3ccccc3)S(=O)(=O)N(CCCC)C2=O	9253
+FC(F)(F)Oc1ccc(cc1)N2C(=O)C3(CCNCC3)CC2	25
+FC(F)(F)Oc1ccc(cc1)N2C(C3(CCN(CC3)S(=O)(=O)c4cnccc4)CC2)=O	1027
+FC(F)(F)Oc1ccc(cc1)N2CCC3(CCN(CC3)c4c(ccc(C)c4)OC)C2=O	79
+FC(F)(F)Oc1ccc(cc1)N2CCC3(CCN(CC3)c4nc(OCc5ccccc5)ccc4)C2=O	361
+FC(F)(F)Oc1ccc(cc1)N2C(=O)N(C(C)(C)C2=O)Cc3c4cc(O)ccc4ncc3	5
+FC(F)(F)Oc1ccc(cc1)N2CCC3(CCN(CC3)c4cc(ccc4O)C)C2=O	5
+FC(F)(F)Oc1ccc(cc1)N2CCC3(CCN(CC3)c4nc(O)ccc4)C2=O	700
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc(c(NCC(C)(C)O)cc2N3CCOCC3)N	0
+FC(F)(F)Oc1ccc(cc1)NC(CC)C(=O)N2c3ncccc3NC(=O)C2	4718
+FC(F)(F)Oc1ccc(cc1)NC(CC)C(=O)O	4
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)C(CN3CCNCC3)=O)=O	25
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCNCC2)=O	2
+FC(F)(F)Oc1ccc(cc1)NC(c2ccc(N3CC(O)CC3)c(c2)-c4cncnc4)=O	4719
+FC(F)(F)Oc1ccc(cc1)NCC(NC(C(CC2CCCCC2)NC(OCc3ccccc3)=O)=O)C	9
+FC(F)(F)Oc1ccc(cc1)NCC(C)N	102
+FC(F)(F)Oc1ccc(cc1)NCC(C)NC(C(CC2CCCCC2)NS(=O)(=O)c3cccc(c3)Cl)=O	1946
+FC(F)(F)Oc1ccc(cc1)NCC(NC(=O)C(N)CC2CCCCC2)C	334
+FC(F)(F)Oc1ccc(cc1)Nc2cc(N3CCCC3)cc(n2)-c4ccccc4	140
+FC(F)(F)Oc1ccc(cc1)Nc2nc(nc(n2)N3CCOCC3)NN	4720
+FC(F)(F)Oc1ccc(cc1)Oc2cc(C(F)(F)F)ccc2C(=O)Nc3ccnc(O)c3	46
+FC(F)(F)Oc1ccc(cc1)OC(CC)C(OCC)=O	289
+FC(F)(F)Oc1cc([N+]([O-])=O)c(cc1)O	31
+FC(F)(F)Oc1ccc(cc1)Oc2ccc(cc2C(Nc3cc(O)ncc3)=O)F	46
+FC(F)(F)Oc1ccc(cc1)OC(CC)C(=O)N2CC(Nc3ccc(C)nc23)=O	4718
+FC(F)(F)Oc1ccc(cc1)OC(CC)C(O)=O	3
+FC(F)(F)Oc1ccc(cc1)OC2CCN(CC2)CCOCC(=O)NC3COc4nc([N+](=O)[O-])cn4C3	467
+FC(F)(F)Oc1ccc(cc1)OCC(=O)O	32
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCC(O)CN2c3ccccc3CCc4c2cccc4	71
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCC(CC2c3ccccc3CCc4sccc24)O	71
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C3C4C(CN(C(=O)CC)C4)C3	69
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N2CCC(CC2)=NO	350
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCC(=O)CN2c3c(cccc3)CCc4c2cccc4	86
+FC(F)(F)Oc1c(-c2cc3c(C(C)(C)CC=C3C(C)C)cc2C)cc(cc1)C=C4C(=O)NC(=O)S4	377
+FC(F)(F)Oc1ccc(C2CC(c3onc(n3)OCC)CNC2)cc1F	2
+FC(F)(F)Oc1ccc(cc1NC(Nc2c3n(cnc3ccc2)C)=S)S(=O)(=O)N	4721
+FC(F)(F)Oc1ccc(cc1NC(=O)CN2CCOCC2)NC(=O)c3cnc(-c4cc(F)cc(F)c4)cc3	140
+FC(F)(F)Oc1ccc(N)cc1S(=O)(=O)C	0
+FC(F)(F)Oc1cc2c([n+](ccc2)[O-])cc1	9254
+FC(F)(F)Oc1ccc2nc(Nc3nc4cc(C(=O)O)ccc4n3C)sc2c1	1
+FC(F)(F)Oc1ccc2nc(sc2c1)Nc3nc4c(ccc(c4)C(=O)NCC(OC)=O)n3C	259
+FC(F)(F)Oc1ccc2nc(sc2c1)Nc3nc4cc(ccc4n3C)C(NCC(O)=O)=O	4
+FC(F)(F)Oc1ccc2nc(sc2c1)Nc3nc4c(n3C)ccc(C(NCC(NC)=O)=O)c4	9
+FC(F)(F)Oc1cc(-c2ccc(S(=O)(=O)n3ccc4cc(ccc34)C=CC(=O)OC)s2)ccc1	268
+FC(F)(F)Oc1cccc(-c2cc(nn2-c3ccccc3)N)c1	1196
+c1cc(ccc1)C(c2ccccc2)CN(Cc3cc(ccc3)OC(F)(F)F)CCCOc4cc(CC(=O)OC)ccc4	131
+FC(F)(F)Oc1cc(Cc2[nH]c3N(C)C(=O)N(Cc4ccc(cc4)OC)C(=O)c3n2)ccc1	4722
+FC(F)(F)Oc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(N)s3)cc2)c1	3054
+FC(F)(F)Oc1cccc(CC(=O)Nc2nnc(CCCCC#N)cc2)c1	4723
+FC(F)(F)Oc1cccc(CC(=O)NC2=C(N(C)C(=O)N(C2=O)Cc3ccc(cc3)OC)N)c1	2428
+FC(F)(F)Oc1cccc(CC(Nc2ccc(nn2)Cl)=O)c1	142
+FC(F)(F)Oc1cccc(c1)C(NN)=O	1094
+FC(F)(F)Oc1cccc(c1)-c2nnc3ccc(nn23)C(O)=O	1968
+FC(F)(F)Oc1cccc(c1)Oc2ccc(Nc3c4c(ncn3)ccn4CCNC(CS(=O)(=O)C)=O)cc2C	9
+FC(F)(F)Oc1ccccc1-c2noc(c2COC)C3CC3	1043
+FC(F)(F)Oc1ccccc1-c2noc(C3CC3)c2CO	88
+FC(F)(F)Oc1ccccc1C(N)=NO	253
+FC(F)(F)Oc1c(-c2cc(c(C)n2CC3CCCO3)C(=O)OC)cccc1	9255
+FC(F)(F)Oc1c(cccc1)C(Nc2sc(C(=O)NCc3ccccc3)c(n2)C)=O	548
+FC(F)(F)Oc1c(cccc1)-c2noc(-c3ccc(-c4c(cccc4)OC)c(C)c3)n2	910
+FC(F)(F)Oc1c(cccc1)-c2nc(-c3ccc(c(C)c3)-c4c(csc4)C)on2	910
+FC(F)(F)Oc1c(C=NO)cccc1	135
+FC(F)(F)Oc1ccccc1CN2C(=O)C(C)CC2c3c(cccc3OC)OC	1737
+FC(F)(F)Oc1c(Cn2cc(nc2)-c3nccc(C#N)c3)cccc1	371
+FC(F)(F)Oc1ccc(cc1S(=O)(=O)C)[N+]([O-])=O	31
+FC(F)(F)S(=O)(=O)Oc1c(c(c(cc1)C#N)F)F	376
+FC(F)(F)S(=O)(=O)Oc1cc(c(CC(=O)OCC)cc1Cl)C	376
+FC(F)(F)S(=O)(=O)Oc1ccc2ccc(Oc3c4cc(c(cc4ncc3)OC)OC)cc2c1	376
+FC(F)(F)S(=O)(=O)Oc1c(C(OCC)=O)oc2c1cncc2	9256
+FC(F)(F)S(=O)(=O)Oc1cc2n(C)cnc2cc1	376
+FC(F)(F)S(=O)(=O)Oc1c(OC)cc(-c2oc3c(cccc3)n2)cc1	376
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2cnccc2NC(OC(C)c3c(cccc3)Cl)=O	376
+FC(F)(F)S(=O)(=O)Oc1cc2c(oc(c2C(NC)=O)-c3ccc(cc3)F)cc1CC(OC)=O	376
+FC(F)(F)S(=O)(=O)Oc1c2-c3c(C(c2ccc1)=O)c(nc(n3)N)-c4ccc(cc4)F	376
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2nc(c3cccc(C#N)c3c2)O	376
+FC(F)(F)S(=O)(=O)Oc1ccc(c2nc(c(Cc3ccc(cc3)Cl)c(c12)C)C)Cl	376
+FC(F)(F)S(=O)(=O)Oc1c(Cl)c(c(Cc2ccc(cc2)OC)cc1C(OC)=O)C	376
+FC(F)(F)S(=O)(=O)Oc1ccc2CCC(C(c2c1)Cc3ccc(c(Cl)c3)Cl)NC(=O)OCC	376
+FC(F)(F)S(=O)(=O)Oc1c2-c3nc(nc(-c4ccccc4)c3C(=O)c2ccc1)N	376
+FC(F)(F)S(=O)(=O)Oc1ccc(c(c1)F)N2C=C(C(C(=N2)c3n(-c4ccccc4)ncc3)=O)OC	376
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2c(oc3c2cccc3)Cc4ccccc4	376
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1C)nccc2	376
+FC(F)(F)S(=O)(=O)Oc1cc(c2scnc2c1)OC(C)C3CC(=O)NC3	376
+FC(F)(F)S(=O)(=O)Nc1c(C(=NOc2ccc(cc2)Cl)CC)cc(Cl)cc1	189
+FC(F)(F)S(=O)(=O)Nc1c([N+]([O-])=O)ccc(Oc2ccc(nn2)Cl)c1	31
+FC(F)(F)S(=O)(=O)Oc1ccc2C=CN(c3cc(ccc3C)C(=O)OC)C(=O)c2c1	9257
+c1ccccc1C#CC=2C=CN(Cc3cccc(F)c3)C(=O)C=2Br	9258
+c1ccccc1COc2cc3C(=C(C(=O)OC)N(CC(C)C)C(=O)c3cc2)c4ccccc4F	9259
+CCOC(=O)C=1CCCC=1c2c(cccc2)F	4724
+CC1(C)C=C(CC1(C)C)c2ccccc2[N+](=O)[O-]	2144
+c1cc(ccc1C2=CCC3(OCCO3)CC2)OC	2144
+c1cc(ccc1)C#CC2=NN(C(C=C2)=O)C(C)C	9260
+c1cc(ccc1F)CC=2C=C(N(C(=O)C=2[N+](=O)[O-])CC(OC)=O)C	9261
+c1c(C#N)cc(cc1)C2=C(C(=O)OC)CCC2	4724
+c1ccccc1C=CCN2CCC(CC2)NC3=CC(Oc4c3cc(Br)cc4)=O	9262
+c1(cc(F)ccc1)C2=CC(Oc3cc(C)ccc23)=O	9263
+c1(cc(cc(F)c1C2N(C(C)(C)Cc3c4ccccc4[nH]c23)CC(CF)C)C=CC(=O)OC)F	1645
+FC(F)(F)CN1CCCC(c2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2)C1	2532
+FC(F)(F)Cn1ncc(I)c1	9264
+FC(F)(F)COc1cnc2c(ccnc2c1)Cl	4655
+FC(F)(F)COc1ccc(cc1C(=O)OCC)OCc2ccccc2	9265
+C1CC(CCN1CC(F)F)Oc2c3c4c(n(S(=O)(=O)c5ccccc5)c3cnc2C#N)ncc(c4)Br	1645
+FC(F)(F)S(=O)(=O)Oc1cc(C2CCCN(C2)CC3Oc4c(cccc4)OC3)ccc1	166
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1Cl)CC(OC)=O	166
+FC(F)(F)S(=O)(=O)Oc1cc(Cl)c(c(Cl)c1)CC2CCN(C2=O)C3CCCCC3	166
+FC(F)(F)S(=O)(=O)Oc1cc(CC(=O)OC)cc(OC)c1	166
+FC(F)(F)S(=O)(=O)Oc1c(F)cccc1[N+](=O)[O-]	166
+FC(F)(F)S(=O)(=O)Oc1c(cc(c2cccnc12)Cl)C(=O)C	4599
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1C=O)-c2cccc(C#N)c2	166
+FC(F)(F)S(=O)(=O)Oc1c(ccc(F)c1)[N+]([O-])=O	166
+FC(F)(F)S(=O)(=O)OC1=C(Br)C(N(C=C1)Cc2cccc(F)c2)=O	9266
+FC(F)(F)S(=O)(=O)Oc1c2c(OC)nccc2n(-c3c(cccc3F)F)n1	9267
+FC(F)(F)S(=O)(=O)Nc1cc(OCc2nc3ccccc3cn2)ccc1	1422
+FC(F)(F)S(=O)(=O)Oc1c2c(cc(C#N)c(c2)F)ccc1	166
+FC(F)(F)S(=O)(=O)Oc1cc2ccc(cc2cn1)F	1062
+FC(F)(F)S(=O)(=O)Oc1c(c2c(cc1)cc(cc2)C=C)[N+]([O-])=O	166
+FC(F)(F)S(=O)(=O)Oc1c2cc(ccc2cc(c1C)CC(=O)OC)F	166
+FC(F)(F)S(=O)(=O)Nc1cc(c(C)cc1C)N2C(CC2)=O	1422
+FC(F)(F)S(=O)(=O)Oc1nc(ccc1F)F	1062
+FC(F)(F)S(=O)(=O)Nc1cccc(c1)Oc2nnc(Cl)cc2	1422
+FC(F)(F)S(=O)(=O)Oc1cc(C=O)c(cc1)-c2ccc(OC)c(c2)Cl	166
+FC(F)(F)S(=O)(=O)Oc1c(C=O)c(F)ccc1OCC	166
+FC(F)(F)S(=O)(=O)OC=1c2c(OC(=O)C=1)ccc(Br)c2	9268
+FC(F)(F)S(=O)(=O)Oc1cc2c(Br)ccc(F)c2cn1	1062
+FC(F)(F)S(=O)(=O)Oc1ncc2c(cccc2)c1F	1062
+FC(F)(F)S(=O)(=O)Oc1ccc2c(c1)cccc2C(=O)OCC	166
+FC(F)(F)S(=O)(=O)Oc1cc2cnc(cc2cc1)C(OC)=O	166
+FC(F)(F)S(=O)(=O)Oc1cc2c([nH]c3ncc(cc23)F)cn1	1062
+FC(F)(F)S(=O)(=O)Oc1cc2c(cn1)[nH]c3ncc(OC)cc23	1062
+FC(F)(F)S(=O)(=O)Oc1nc2cc(ccc2cc1)F	1062
+FC(F)(F)S(=O)(=O)Oc1ccc2ncccc2c1	166
+FC(F)(F)S(=O)(=O)Oc1c(cc(CC(OC)=O)cc1)F	166
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2ccc(cc2)C#N	166
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)c(-c3ccc(cc3)Cl)ns2	166
+FC(F)(F)S(=O)(=O)Oc1ccc2c(c1)ccn2-c3ccc(cc3)F	166
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)C2CCC(CC2)CC(=O)OCC	166
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O	166
+FC(F)(F)S(=O)(=O)Oc1ncc2c3ccccc3c4ccccc4c2c1	1062
+FC(F)(F)S(=O)(=O)Oc1c(ccc(c1)OCc2ccccc2)C=O	166
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1)-n2c3ncc(cc3nc2)-c4cocc4	166
+FC(F)(F)S(=O)(=O)Oc1cc2ncccc2cc1	166
+FC(F)(F)S(=O)(=O)Oc1cccc2oc(C(OCC)=O)c(C)c12	166
+CC(C)(C)[Si](C)(C)OC1CCN(C1)c2ncc(cc2)N3C(=O)C=C(C=C3)OCc4ccccc4	655
+CC(C)(C)[Si](C)(C)OC(c1ccc(cc1)C#N)CN2CC(C(OCC)=O)CCC2	655
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(CC(OCc3ccccc3)CC2)F	655
+CC(C)(C)[Si](C)(C)OC1c2c3c(cc(cc3)OCc4ccccc4)ncc2CCC1	655
+c1cc(ccc1OC)-c2c(C(OC)=O)cc(Cc3c(C)c(OC)c(OC)c(c3OC)OC)cc2	368
+c1cc(ccc1-c2c3c(cc(CC(=O)OC)c2C)ccc(c3)Cl)[N+](=O)[O-]	368
+O=S(=O)(n1c2ccc(c(Cl)c2cc1C(F)F)C#N)c3ccccc3	763
+c1c2c(nc(-c3ccc(-c4cccnc4)c(OC)c3)o2)ccc1	4725
+c1cc(ccc1OCCN2CCCCC2)Oc3c4c(cc(OC)cc4)ccc3-c5c(F)c(F)ccc5	368
+FC(F)(F)Sc1ccc(cc1)Nc2ccc3cc(ccc3c2[N+](=O)[O-])C=C	9269
+c1(C)cccc(Sc2ccc(C)cc2[N+]([O-])=O)c1	2255
+c1(ccc(cc1[N+]([O-])=O)C)Sc2cccc(N)c2	2255
+c1cc(ccc1Sc2ccc(cc2[N+]([O-])=O)C)O	2255
+c1cc(ccc1NC(=O)C)Sc2ccc(cc2[N+]([O-])=O)C	2255
+c1(c(cc(Cl)c(C)c1[N+]([O-])=O)C(=O)C)-c2cc(F)ccc2	368
+c1ccccc1COc2c(ccc(-c3c(-c4c(C)cccc4)ccc(C(=O)OC)n3)c2)Cl	9270
+c1cc(ccc1-c2nc(N)nc3-c4c(cccc4C(=O)c23)-c5cc(F)ccc5)F	368
+c1cc(ccc1S(=O)(=O)OCC2Oc3c(CC2)cccc3-c4cc(ccc4Cl)Cl)C	368
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C)c(c(c3)C)-c4c(C)cncc4C	9271
+N1(CC(c2cc(ccc2)N)CCC1)CC3COc4c(cccc4)O3	9272
+c1c(Cl)c(c(cc1-c2ccc(cc2)O)Cl)CC3CCN(C3=O)C4CCCCC4	368
+c1cc(ccc1-c2c(C)nc(c(C(N)=O)n2)C)-c3c(Cl)cc(CC(=O)OCC)c(C)c3	368
+CC(C)n1ncc2c(C(=O)OCC)cc(-c3cccc(CO)c3)nc12	4726
+FC(F)(F)S(=O)(=O)Oc1ccc2C(CCCc2c1)O	74
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(N)c2cc1	18
+O=C(OCC)Cc1c2cc(C#N)ccc2ccc1Cl	763
+c1c2c(cc(C#N)cc2)cc(OC)c1	763
+c1(n2c(nn1)ccc(-c3cnn(C)c3)n2)Sc4cc5c(nccc5)cc4C	4583
+C(Cc1c2c(ccc1Cl)cc(C#N)cc2)(OCC)=O	763
+c1ccccc1CN2C3(CC3)CN(c4cc(CC(=O)OCC)c5ccccc5c4)CC2	908
+c1cc(ccc1[N+]([O-])=O)-c2cc(C)c(C(=O)C)cc2	368
+c1(C=O)cc(Cl)c(cc1)-c2cc(ccc2)C#N	368
+c1ccccc1Cc2c(OC)ccc(-c3ccc(CCC#N)cc3CC(C)C)c2	368
+C(OC)CCOc1cc(CCC(OCC)=O)ccc1-c2cnccc2	4725
+c1cc(ccc1-c2c(cc(CCC(OCC)=O)cc2)OCCCOC)C=O	368
+FC1(F)CCN(c2cc(c(N3C=C(C(C(c4n(-c5ccccc5)ncc4)=N3)=O)OC)cc2)F)C1	908
+c1cc(ccc1-c2ccc(cc2)-c3c4c(cccc4)oc3Cc5ccccc5)C=O	368
+c1cc(ccc1-c2ccc(cc2)C#N)N3C4C(CN(C(OCc5ccccc5)=O)C4)CC3	908
+c1cc(ccc1-c2ccc(cc2)-c3c(ccnc3)NC(=O)OC(C)c4c(cccc4)Cl)C5(CC5)C(O)=O	368
+c1cc(ccc1N2CCCN(CC2)c3oc(C)nn3)-c4cc5c(cccc5C#N)c(O)n4	908
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)C(=O)O	9273
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)N	0
+c1cc(C#N)c(Cl)cc1CC(OC)=O	763
+c1cc(ccc1)C#Cc2c(cc(cc2)[N+](=O)[O-])NC(=O)CCC	9274
+C(OCC)(Cc1cc(OC)c(cc1)C#N)=O	763
+FC(F)(F)S(=O)(=O)Oc1ccc(C=C(C(O)=O)OC)cc1OCCCC	127
+C1CC(c2ccc(C#N)c(c12)Br)=O	763
+c12CCC(CC(OC)=O)c1ccc(C#N)c2C	763
+FC(F)(F)S(=O)(=O)Oc1cc2c(C(CCC2)N=[N+]=[N-])cc1	841
+C(NC1C(Cc2cc(c(cc2)Cl)Cl)c3cc(ccc3CC1)C#N)(OCC)=O	763
+CC1(C)C(N(c2cc(ccc2N(CC)C1=O)C#N)C)=O	763
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(o2)ccc(-c4cccc(C#N)c4)c3	368
+c1cc(ccc1F)-c2c(c3c(ccc(c3)-c4cc(ccc4)C(O)=O)o2)C(NC)=O	368
+c1c2CC(C(OC)=O)CCc2ccc1C#N	763
+c1cc(ccc1O)-c2cc3cccc(c3cc2)C(OCC)=O	368
+c1cc(ccc1OC)-c2ccc3c(ccc(c3)OC)c2CC=C	368
+C1CN(CCC1)CCOc2ccc(cc2)C(c3c4c(cc(OS(=O)(=O)C)cc4)ccc3-c5ccc(cc5SC)F)=O	368
+Nc1cc2cc(Oc3ccnc4c3cc(c(OC)c4)OC)ccc2cc1	9275
+c1(c(F)ccc(F)n1)-c2cc(ncc2Cl)F	9276
+c1ccccc1-c2cc3c(c4ccccc4c5ccccc35)cn2	4726
+FC(F)(F)S(c1cc(c(O)cc1)NC(=O)c2c(S(=O)(=O)CC)cccn2)=O	772
+FC(F)(F)S(=O)c1ccc(c(N)c1)O	0
+FC(F)(F)S(=O)c1ccc(c(c1)[N+](=O)[O-])O	31
+FC(F)(F)Sc1c(cccc1)C#Cc2ccccc2	129
+FC(F)(F)Sc1c(I)cccc1	158
+FC(F)(F)Sc1cc(cc(Br)c1)C(C)(C)C	480
+FC(F)(F)Sc1cc2c(n(cn2)C)nc1	3713
+CC(C)(C)c1cc(cc(c1)C#N)SC(F)(F)F	180
+FC(F)(F)Sc1ccc(nc1)NC	70
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(Cc3ccnc(n3)N)C2=O	1408
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(Cc3nc(NC(=O)Oc4ccccc4)ncc3)C2=O	4331
+FC(F)(F)Sc1ccc(cc1)N2C(=O)N(C(C)(C)C2=O)Cc3ccnc(c3)N	1670
+FC(F)(F)Sc1ccc(cc1)N2C(N(C(C)(C)C2=O)Cc3cc(NC(C)=O)ncc3)=O	1153
+FC(F)(F)Sc1ccc(cc1)Nc2ccc3c(ccc(c3)C=C)c2N	0
+FC(F)(F)Sc1cc(c(NC)nc1)N	3982
+FC(F)(F)C(O)c1ccc(Cl)c2nc3N(CCCn3c12)c4ccc(cc4C)C#N	4658
+FC(F)(F)C(O)c1ccccc1-n2cncc2	714
+FC(F)(F)C(CC1(C)c2cc(SC)ccc2OCC1)O	1634
+FC(F)(F)C(c1cc(C)c(c(c1)C)C#N)(O)C(c2ccc(OC)cc2Cl)C	1379
+FC(F)(F)C(CC1CCc2ccccc2O1)O	1634
+FC(F)(F)C(c1cc2c(cc1F)OCC(N2C)=O)(C(C)c3ccc(Br)cc3Cl)O	1379
+FC(F)(F)C(c1ccc2c(N(C)C(=O)CO2)c1)(O)C(c3c(cc(cc3)Br)Cl)C	1379
+FC(F)(F)C(O)c1ccc(cc1)-c2ccncc2	714
+FC(F)(F)C(C)(c1ccc(cc1)C#N)O	1379
+FC(F)(F)C(CN1C(=O)N(CC(OC)=O)N=C1c2ccc(cc2)Cl)O	1634
+FC(F)(F)C(O)c1ccc(cc1)[N+]([O-])=O	714
+FC(F)(F)C(c1ccc(Br)cc1-c2ccccc2)O	714
+FC(F)(F)C(c1c(cc(cc1)S(=O)(=O)C)-c2ccccc2)O	714
+FC(F)(F)C(C(C)(C)C(c1ccccc1)c2ccc3c(cnn3-c4ccc(cc4)F)c2)O	1634
+FC(F)(F)c1ccc(CN2C(=O)N3C=CC(c4ccc(cc4)Cl)=C(c5ccncc5)C3=N2)c(COC(C)=O)n1	174
+FC(F)(F)c1[nH]c2c(cccc2OCCN3CCN(CC3)c4cccc(N=[N+]=[N-])c4[N+]([O-])=O)n1	34
+FC(F)(F)c1cc2c([nH]1)ncc(CN)c2	388
+FC(F)(F)c1[nH]c2c(cc(CNC(=O)c3cnc(nc3)-c4cc(ccc4)OCC)cc2)c1	484
+FC(F)(F)c1[nH]c2c(c1)cc(CN)cc2	107
+FC(F)(F)c1[nH]c2ccc(Nc3nn4c(-c5ccc(cc5)S(=O)(=O)C)ccc4cn3)cc2n1	9277
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(O)=O)c1	3
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(=O)Nc4[nH]nnn4)c1	2004
+FC(F)(F)c1n(nc(C(=O)OCC)c1)Cc2c(ccc(Br)c2)OCc3ccccc3	309
+FC(F)(F)c1ccn(-c2ncc(cc2)C)n1	3889
+FC(F)(F)c1ccn(-c2cc(c3ccc(OC)c(Cl)c3n2)OCc4ccc(cc4)OC)n1	4348
+FC(F)(F)c1[nH]ncc1CO	536
+FC(F)(F)c1nn(cc1C(OCC)=O)-c2ccccc2	568
+FC(F)(F)c1nn(cc1C(OCC)=O)Cc2ccc(cc2)OC	309
+FC(F)(F)c1n[nH]cc1C=O	576
+FC(F)(F)c1c(-c2nc3cc(ccc3[nH]2)C(O)=O)c(Cl)ccc1	1
+FC(F)(F)c1cccc(c1-c2[nH]c3cc(C(=O)Nc4nc5c(cc4)cccc5)ccc3n2)Cl	330
+FC(F)(F)c1c(-c2c(c(cn2C)C(=O)O)C)cccc1	1
+FC(F)(F)c1c(cccc1)-c2nc3c(C)cccc3cc2CNCc4ccc(cc4)OC	249
+FC(F)(F)c1c(cccc1)-c2n(C)cc(C(Nc3ccc(cc3)S(=O)(=O)C)=O)c2C	246
+FC(F)(F)c1c(cccc1)-c2cccc3c2CC(CN)O3	18
+CC(C)(C)c1c(Cl)c(-c2[nH]c3cc(nc(OC)c3n2)-c4ccccc4C(F)(F)F)n(n1)C	4276
+FC(F)(F)c1cccnc1-c2cc([N+](=O)[O-])c(cc2)Br	31
+FC(F)(F)c1c(nccc1OC)-c2cnc(c(C(O)=O)n2)N	1
+FC(F)(F)c1c(-c2nc(C(Nc3ncccc3N4CCC(CC4)(C)N)=O)c(nc2)N)nccc1OC	12
+FC(F)(F)c1cc2c(NC(C(=O)N2O)=O)cc1-n3c(C)ncc3	4727
+FC(F)(F)c1cc(ccc1-n2cnc(C)c2)N	0
+FC(F)(F)c1cc(N)ccc1-c2cc(ccc2)Cl	11
+FC(F)(F)c1cc(ccc1Br)NC(=O)Nc2ccc(cc2)Oc3cc(Cl)ncn3	124
+FC(F)(F)c1c(Br)ccc(c1)NCC(O)=O	4
+FC(F)(F)c1cc([N+]([O-])=O)ccc1-c2ncc(C)cc2	4728
+FC(F)(F)c1nc(N)c(C(=O)NNC(Cc2ccccc2)=O)nc1Br	708
+FC(F)(F)c1c(Br)nc(C(=O)NN)c(n1)N	2100
+FC(F)(F)c1c(C(NO)=N)c(ccc1)F	181
+FC(F)(F)c1c(C#N)cc(N)cc1	623
+FC(F)(F)c1cc(ccc1C(N)=NO)C=C	253
+FC(F)(F)c1c(cc(c(c1)N)I)C#N	235
+FC(F)(F)c1c(ccc(c1)N2C(=O)N(C(CO)(C2=O)c3ccc(cc3)C#N)C)C#N	4729
+FC(F)(F)c1c2ccn(C(C)c3cc(C#N)ccc3)c2ccc1C#N	4573
+FC(F)(F)c1c2cc(n(C(CO)C)c2ccc1C#N)C	95
+FC(F)(F)c1c(C#N)ccc2c1cc(C)n2C(C)CS(=O)(=O)C	991
+FC(F)(F)c1ccccc1C(=O)Nc2c(cn(n2)-c3c(cccc3)Cl)Cl	330
+FC(F)(F)c1ccccc1C(Nc2cc3c(c(c2)C(OC)=O)nc[nH]3)=O	50
+FC(F)(F)c1ccccc1C(NCC2(CC2)c3ncc(cn3)C)=O	93
+FC(F)(F)c1c(cn(C)n1)C(=O)NC(C(NC)=O)CN	12
+FC(F)(F)c1c(C(=O)NCCC(=O)Nc2ccc(cc2)C3CCC(CC3)CC(O)=O)nc(o1)-c4c(Cl)cccc4Cl	4
+FC(F)(F)c1ncccc1-c2nnc(-c3cc(c(c(OC)c3)OC)[N+]([O-])=O)o2	9278
+FC(F)(F)c1n(C)c2cc(ccc2c1C(NC)=O)OC	56
+FC(F)(F)c1cc(ccc1C(O)=O)I	158
+FC(F)(F)c1nn(cc1C(N(C2CCN(CC2)c3nnc(c(C)c3C)-c4ccc(cc4)F)C)=O)Cc5ccc(cc5)OC	1020
+FC(F)(F)c1c(cnc(N)n1)CO	9279
+FC(F)(F)c1nccc(N)c1C(=O)OC	912
+FC(F)(F)c1nc(ncc1C(=O)O)Nc2c(Cl)cc(cc2)Cl	1
+FC(F)(F)c1ccc2c(n1)nc(c(C(O)=O)c2)C(F)(F)F	6
+FC(F)(F)c1ccncc1C(C(C)C)O	1372
+FC(F)(F)c1c(C(=O)C)cnc(N2CCn3c(C2C(C)C)nc4cc(COC(C)=O)c(cc34)S(=O)(=O)C)n1	117
+FC(F)(F)c1c(cccc1)C(N2CCNCC2)=O	25
+FC(F)(F)c1c(C(N2CCN(CC2)c3ncc(s3)C(=O)NC)=O)cccc1	454
+FC(F)(F)c1c(C(N2CCN(CC2)c3sc(C(O)=O)cn3)=O)cccc1	1
+FC(F)(F)c1c(C(=O)NC(CNC(OC(C)(C)C)=O)C(=O)NC)cn(C)n1	248
+FC(F)(F)c1c(oc(n1)-c2ccccc2)C(=O)Nc3cnc(N4CC(=O)N(CC4)Cc5ccccc5)cc3	9280
+FC(F)(F)c1c(C(=O)C)cnc(Nc2cccc(Cl)c2)n1	4133
+FC(F)(F)c1cc(ncc1C(=O)O)Nc2ccc(cc2Cl)Cl	1
+FC(F)(F)c1c(CO)n(cc1)-c2ccc(cc2)Cl	398
+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4c(nc3)cnc(COS(=O)(=O)C)c4)C)cccc1	7
+FC(F)(F)c1c(C(Oc2c(C(N)=O)sc(-n3c4c(cnc(CO)c4)nc3)c2)C)cccc1	35
+FC(F)(F)c1cccc(c1C)Cc2c(N)n[nH]c2N	4037
+FC(F)(F)c1c(C)c(Cn2c3cc(cc(c3nc2CF)Br)N)ccc1	0
+FC(F)(F)c1c(c(ccc1)Cn2c3c(c(Br)cc(c3)N)nc2C(F)F)C	0
+c1cc(ccc1)C(c2ccccc2)=Nc3c(C)c(c(C#N)cc3)C(F)(F)F	9281
+FC(F)(F)c1c(cc2N=C3C(N(CCCCCCC(OCC)=O)c2c1)=NC(O)=NC3=O)C	9282
+FC(F)(F)c1ncc(cc1C)C(=O)O	1
+FC(F)(F)c1cc2N(CCCC(c2cc1C)N=[N+]=[N-])C(=O)OC(C)(C)C	841
+FC(F)(F)c1c(cc(I)c(N)c1)C	184
+FC(F)(F)c1c(ccc(NCCCCCCC(OCC)=O)c1)C	601
+FC(F)(F)c1nc2ccc(nn2c1C)C=O	1436
+FC(F)(F)c1c(C)nc(cc1)Oc2cccc(CP(OCC)(OCC)=O)c2	1060
+FC(F)(F)c1c(nc(cc1)Oc2cc(C=C3CCC4(OCCO4)CC3)ccc2)C	846
+CC(C)(C)OC(=O)N1CC=C(CC1)c2c(C(F)(F)F)cccc2	252
+FC(F)(F)c1c(cccc1)C2CCNCC2	25
+FC(F)(F)c1ccc(Cl)cc1CC2C(=O)c3cc(c(N4CCOCC4)cc3C2)OC	4730
+FC(F)(F)c1cccc2[nH]ccc12	4526
+FC(F)(F)c1c(C(C(OCC)C(N2C(=O)OCC2Cc3ccccc3)=O)O)ccc(OCc4ccccc4)c1	4731
+FC(F)(F)c1c(C=O)ccc(c1)NC(=O)c2ccc(C)c(Br)c2	50
+FC(F)(F)c1cc(Nc2ccc(cc2Cl)Cl)ncc1CNCc3ccc(cc3)F	249
+FC(F)(F)c1c(ccc(c1)C(=O)OC)CNC	370
+FC(F)(F)c1cc(I)ccc1Cn2ccc(NC(c3c(cccc3F)F)=O)n2	309
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(c4cc(c(s4)OC)-c5ccnn5C)=O	227
+FC(F)(F)c1ccccc1CC(NC(=O)c2sc(c(-c3c(cnn3C)F)c2)Cl)CN4C(c5ccccc5C4=O)=O	227
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(c4c(n(C)c(-c5ccnn5C)c4)Cl)=O	56
+FC(F)(F)c1ccccc1CC(NC(c2scc(c2)-c3n(nc(Cl)c3CC)C)=O)CN4C(c5ccccc5C4=O)=O	227
+FC(F)(F)c1cc(ccc1CC2CCCCC2)CO	49
+FC(F)(F)c1[nH]c2c(Br)cccc2c1CCCO	44
+FC(F)(F)c1nn(CC(=O)Nc2c(c3c(CCCC3)s2)C(=O)N)cc1CCNC	285
+FC(F)(F)c1c(CN2CCN(CC2)CC)ccc(c1)NC(=O)Cc3c(cc(Br)cc3)F	33
+FC(F)(F)c1c(ccc(N2CCOCC2)c1)CN3CCN(C(ON4C(CCC4=O)=O)=O)C(C)(C)C3	613
+FC(F)(F)c1c(ccc(NC(c2ccc(C)c(-c3cc4cnncc4cc3)c2)=O)c1)CN5CCOCC5	2256
+FC(F)(F)c1c(C=O)cnc(Nc2ccc(cc2Cl)Cl)c1	200
+FC(F)(F)c1c(cnc(n1)Nc2cccc(Cl)c2)C=O	1195
+FC(F)(F)c1c(n(-c2ccc(cc2)Cl)cc1)COc3c(cc(cc3F)CCC(OCC)=O)F	20
+FC(F)(F)c1c(Cl)c(ncn1)-c2c(cc(c(O)c2)Cl)F	5
+FC(F)(F)c1c(Cl)c(-c2cc(c(cc2F)Cl)OC)ncn1	198
+FC(F)(F)c1cnc2c(c(NC(=O)c3nccnc3)c[nH]2)c1Cl	1285
+FC(F)(F)c1cc2c(c([N+]([O-])=O)c1Cl)n(c(C)n2)CC	4732
+FC(F)(F)c1cc(C=2C=C(O)C(=O)N(C=2)C(C)C)ccc1Cl	4733
+FC(F)(F)c1c(Cl)ccc(Oc2ccc(cc2C#N)C=O)c1	46
+FC(F)(F)c1cc(Oc2ccc(cc2)C=O)ccc1Cl	46
+FC(F)(F)c1c(Cl)ccc(c1)Oc2c(C#N)cc(CO)cc2	41
+FC(F)(F)c1cc(C(=O)O)ccc1-c2ccccc2	667
+FC(F)(F)c1c(nc(Cl)nc1)NC	40
+FC(F)(F)c1c(nc(nc1)SC)Cl	1721
+FC(F)(F)c1c(Cl)nc(nc1)Nc2ccc(cc2)C(=O)OCc3ccccc3	55
+FC(F)(F)c1c(Cl)nc(Nc2ccc(OC)nc2)nc1	949
+FC(F)(F)c1c(Cn2c3ccc(cc3c(n2)-c4ccc(cc4)F)C=O)ccc(Cl)c1	1624
+FC(F)(F)c1cccc(C(c2ccc(cc2)OC)=O)c1F	705
+FC(F)(F)c1c(F)c(Cl)cc(I)c1	158
+FC(F)(F)c1c(c(F)c(c(F)c1F)-n2nccc2N)F	2257
+FC(F)(F)c1c(F)c(F)c(c(F)c1F)-n2c(NC(=O)C)c([N+]([O-])=O)cn2	4734
+FC(F)(F)c1c(F)c(C(N(OC)C)=O)ccc1	280
+FC(F)(F)c1c(cc(C(N2C(c3c(C2=O)cccc3)=O)CN(C(=O)OC(C)(C)C)C)cc1)F	2131
+FC(F)(F)c1c(F)cc(cc1)C2CN(C(N3CCSCC3)=O)CC(C2)C(O)=O	4
+FC(F)(F)c1ccc(CC(Nc2c(nc(NCc3ccc(cc3)F)cc2)N4CCCC4)=O)cc1F	469
+FC(F)(F)c1ccc(C(C(Nc2sccn2)=O)CC3CCCC3)cc1F	373
+FC(F)(F)c1ccc(cc1F)C2CN(C(=O)N3CCSCC3)CC(c4nc(OCC)no4)C2	4090
+FC(F)(F)c1c(F)cc(cc1)CN(C2C(c3cc(F)c(cc3)Cl)CN(Cc4ccccc4)C2)C	48
+FC(F)(F)c1ccc(cc1F)CN(C2C(CNC2)c3cc(c(cc3)Cl)F)C	25
+FC(F)(F)c1c(cc(cc1F)CCC2NCCCc3n(nc(C)c23)CC)F	2967
+FC(F)(F)c1cc2c(cn(c2cc1F)C)CN3C(C4=CC=C(n5cc(nc5)C)C(=O)N4CC3)=O	3055
+FC(F)(F)c1c(ccc(-c2cnc([nH]2)N3CCN(CC3)c4ncnc5c4c[nH]n5)c1)F	1577
+FC(F)(F)c1c(F)ccc(c1)Oc2c(C#N)cc(CO)cc2	41
+FC(F)(F)c1c(F)ccc(c1)Oc2c(cc(CSc3nc(O)c(cn3)Cc4cnc(nc4)OC)cc2)C#N	3561
+FC(F)(F)c1c(cc2c(NC(CC(=N2)c3cc(ccc3)-c4onc(C)c4)=O)c1)N5CCSCC5	1222
+FC(F)(F)c1c(NC(Nc2ccc(c(S(=O)(=O)N(C)C)c2O)Cl)=S)cccc1	773
+FC(F)(F)c1c(c(ccc1)C(Nc2ccccc2)=O)N=[N+]=[N-]	67
+FC(F)(F)c1c(cnc(n1)Nc2cccc(Cl)c2)N	4208
+FC(F)(F)c1c2NC(c3cccnc3N(CC)c2nc(C)c1)=O	4735
+FC(F)(F)c1cc(ccc1N2C(=NNC2=O)CC3CCN(C3)C(=O)C4CC4)Br	2585
+FC(F)(F)c1ccccc1NC2CCN(CC2)C(=O)CNC(c3ccc(cc3)Nc4ccccc4)=O	10
+FC(F)(F)c1c(cc2c([nH]cc2)c1)OC	9283
+FC(F)(F)c1ccc(C(=O)N(C)OC)cc1OC	280
+FC(F)(F)c1c(cc2c(cn(C)c2c1)C)O	5
+FC(F)(F)c1c(nc(C(OC)=O)c(-n2c(C)ccc2C)c1)O	104
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(N)c1)OCC	0
+FC(F)(F)c1c(OCC)ccc(-c2nc(c(c(c2)N)N)C#N)c1	13
+FC(F)(F)c1cc(ccc1OCC2CCN(CC2)C)N	0
+FC(F)(F)c1cc(ccc1OCCCCCCC)CP(OCC)(OCC)=O	1060
+FC(F)(F)c1cc(ccc1OCCO)-c2nc(C#N)c3ncn(C)c3c2	1165
+FC(F)(F)c1c(ccc(c1)-c2nc(C#N)c3ncn(C)c3c2)OCOCCOC	1165
+FC(F)(F)c1cccc(O)c1Oc2ccccc2	5
+FC(F)(F)c1c(cccc1)S(=O)(=O)Nc2c(-c3ccc(cc3)CO)nccn2	696
+FC(F)(F)c1c(ccc(C(CC2CCCC2)C(Nc3ncc(cc3)[N+](=O)[O-])=O)c1)SC	142
+FC(F)(F)c1ccc(cc1[N+](=O)[O-])-c2cn3c(ccc(c3)Br)n2	440
+FC(F)(F)c1ccc(cc1[N+](=O)[O-])-c2cn3nc(Cl)ccc3n2	1749
+FC(F)(F)c1c(nc(cc1)Cl)Cl	174
+FC(F)(F)c1c(c(ccc1)Br)N	106
+FC(F)(F)c1nn(-c2ccc(cc2)CCO)c(C)c1-c3ccccc3	800
+FC(F)(F)c1cc(C=CC(=O)N2C(COC2=O)Cc3ccccc3)cc(c1N)Cl	2632
+FC(F)(F)c1c(-c2ccc(cc2)S(=O)(=O)N3CCOCC3)c(Cl)cc(N)c1	11
+FC(F)(F)c1c(C(=O)n2c3c(c(ccc3)F)c(I)n2)c(Cl)ccc1	9284
+FC(F)(F)c1cccc(c1CO)Cl	98
+FC(F)(F)c1c(c(ccc1)Cn2c3c(nc2C(F)F)c(cc(c3)N4CCOCC4)C(O)=O)C	1
+FC(F)(F)c1c2C(N(C(c3c(OC)cccc3)Nc2ccn1)C(Cc4ccccc4)C)=O	4736
+FC(F)(F)c1cccc(N2CC(CC2)OCC#C)c1CN3CCNCC3	2
+FC(F)(F)c1c(Oc2ccccc2)c(ccc1)OC	46
+FC(F)(F)c1ccc(OCc2ccccc2)c3c1cc(C(OCC)=O)[nH]3	3056
+FC(F)(F)c1c(c(C#N)cc(-n2c(nc(C)c2)C)c1)N	3057
+FC(F)(F)c1cc(cc(c1N)Cl)CO	49
+FC(F)(F)c1cc(cc([N+](=O)[O-])c1N)Cl	106
+FC(F)(F)c1c(C)c(ccc1)Cn2c3c(c(Br)cc([N+](=O)[O-])c3)nc2C(F)F	505
+FC(F)(F)c1c(C)c(Cn2c3c(c(cc([N+](=O)[O-])c3)Br)nc2CF)ccc1	505
+FC(F)(F)c1c(c(CN2C(C(=CN(C2=O)c3ccc(cc3)N4CCOC4=O)C#N)=O)ccc1)C	1819
+FC(F)(F)c1c(C)c(ccc1C#N)N	685
+FC(F)(F)c1cc2c3c(CCC(P(OCC)(OCC)=O)N3C(C(=O)N2)=O)c1N	0
+FC(F)(F)c1c(CCCOc2cc(C)c(c(c2)C)Cl)c3cccc(c3n1CC(=O)O)-c4c(C)nn(C)c4C	3
+FC(F)(F)c1ccc(C#Cc2nnc(OCc3ccccc3)c(c2)OCc4ccccc4)cc1C	455
+FC(F)(F)c1c(F)cc(cc1)C(C(=O)O)CC2CCCC2	4
+FC(F)(F)c1cc(NC(=O)c2cnc(F)cc2)c(Cl)cc1Br	971
+FC(F)(F)c1cc2c(N=C(CC(=O)N2)c3cccc(c3)-c4ccnn4C)cc1N(C)C	690
+FC(F)(F)c1c(cc(c(NC(=O)CC(c2cc(-c3ccc(OC)nn3)ccc2)=O)c1)N)N(C)C	78
+CC(C)(C)OC(=O)Nc1cc(N(C)C)c(C(F)(F)F)cc1N	0
+FC(F)(F)c1c(C)cc(c(c1)NCCCCCCC(OCC)=O)N	0
+FC(F)(F)c1c(cc2nc(ccc2c1)O)F	9285
+FC(F)(F)c1cc2c(cc1N(C)C)N=C(c3cc(ccc3)-c4nnc(cc4)OC)CC(=O)N2	1222
+FC(F)(F)c1c(cc2N=C(CC(=O)Nc2c1)c3cc(ccc3)-c4onc(C)c4)C	690
+FC(F)(F)c1cc(c(cc1C)C#N)N	0
+FC(F)(F)c1c(C#N)cc(I)c(NS(=O)(=O)C)c1	80
+FC(F)(F)c1c(N2CCSCC2)cc(N)c(c1)NC(CC(=O)c3cccc(-c4cc(no4)C)c3)=O	78
+FC(F)(F)c1ccc(cc1Nc2c(-c3ccncn3)cccn2)C(=O)O	6
+FC(F)(F)c1c(cc(cc1F)CCC(OCCCC)=O)F	159
+FC(F)(F)c1c(F)cc(cc1F)CCC(NCCCc2cc(C)nn2CC)=O	9
+FC(F)(F)c1c(cc(cc1F)CCC(O)=O)F	1317
+FC(F)(F)c1c(C)cc(C=O)cn1	200
+FC(F)(F)c1c(F)cc2c(c1)N(C(CC2=NO)C)C(=O)OC(C)C	189
+FC(F)(F)c1cc2NCCc2cc1OC	931
+FC(F)(F)c1c(cc2cc([nH]c2c1)C(CSCC)(C)O)C#N	2550
+FC(F)(F)c1c(F)ccc(-c2c[nH]c(n2)N3CCNCC3)c1	25
+FC(F)(F)c1cc(-c2cc3n(nnc3c(C#N)n2)C)ccc1OCC4CN(c5ccccn5)CC4	262
+FC(F)(F)c1c(ccc(-c2cc3n(nnc3c(C#N)n2)C)c1)O	2986
+FC(F)(F)c1c(OCCO)ccc(B(O)O)c1	168
+FC(F)(F)c1cc(C#N)ccc1Oc2c(OC)cc(C=O)cc2	46
+FC(F)(F)c1cc(C(=O)O)ccc1N2CCCCC2C	872
+FC(F)(F)c1cc(C(C(OCC)=O)CC(C)C)ccc1[N+]([O-])=O	4475
+FC(F)(F)c1c(-c2noc(c2)CC(=O)O)ccc(C3CC3)c1	9286
+FC(F)(F)c1c(ccc(CC(=O)Nc2c(Cl)ccc3C(N(C=Cc23)CCO)=O)c1)F	59
+FC(F)(F)c1cc(ccc1N)N(c2cc3oc(c(C(NC)=O)c3cc2C4CC4)-c5ccc(cc5)F)S(=O)(=O)C	0
+FC(F)(F)c1cc(ccc1N)N2CCOCC2	0
+FC(F)(F)c1c(ccc(NC(Nc2ccc(cc2)Oc3ncnc(-n4ncnc4)c3)=O)c1)Cl	124
+FC(F)(F)c1c(ccc(NC(Nc2ccc(cc2)Oc3ncnc(SC)c3)=O)c1)Cl	124
+FC(F)(F)c1cc(N2C(C3(CCN(CC3)C)N(c4ccc(cc4)C)C2=S)=N)ccc1C#N	9287
+FC(F)(F)c1c(ccc(NC(NCCCN(C(C)C)CC2C(O)C(O)C(n3c4ncnc(N)c4nc3)O2)=O)c1)Cl	265
+FC(F)(F)c1c(ccc(c1)NC(OCc2ccccc2)=O)CCF	559
+FC(F)(F)c1c(cc([N+]([O-])=O)c(NCCCCCCC(OCC)=O)c1)C	77
+FC(F)(F)c1nc(O)ccc1[N+]([O-])=O	104
+FC(F)(F)c1c(ccc(Oc2c(Cl)cc(C(=O)NS(=O)(=O)C)c(F)c2)c1)Cl	258
+FC(F)(F)c1c(Cl)ccc(S(=O)(=O)Nc2c(C=O)ncc(c2)Cl)c1	2258
+FC(F)(F)c1c(ccc(S(=O)(=O)Nc2c(ncc(c2)Cl)C(c3c(ccc(c3)-n4nccc4)Cl)=O)c1)Cl	2258
+FC(F)(F)c1cc(ccc1OCCOCc2ccccc2)[N+]([O-])=O	57
+FC(F)(F)c1c(ccc(-c2cc3n(nnc3c(C#N)n2)C)c1)OCCCO	2259
+FC(F)(F)c1c(ccc(-c2cc3n(nnc3c(C#N)n2)C)c1)OCOCCOC	2259
+FC(F)(F)c1cc(ccc1OCCCOS(=O)(=O)C)-c2cc3c(ncn3C4CCCCO4)c(C#N)n2	7
+FC(F)(F)c1cc(ccc1OCCCOS(=O)(=O)C)-c2nc(C#N)c3ncn(C)c3c2	7
+FC(F)(F)c1c(ccc(c1)-c2cc3n(C)cnc3c(C#N)n2)O	2986
+FC(F)(F)c1cc(N2C(C(NC2=O)(COCC=C)c3ccc(cc3)C#N)=O)ccc1C#N	4737
+FC(F)(F)c1cc(N2C(=O)NC(c3ccc(cc3)F)(COCC=C)C2=O)ccc1C#N	4737
+FC(F)(F)c1c(ccc(N(S(=O)(=O)C)c2cc3oc(c(C(NC)=O)c3cc2C4CC4)-c5ccc(cc5)F)c1)[N+]([O-])=O	3058
+FC(F)(F)c1cc(ccc1F)NC(=O)c2c3ccc(cc3ccc2)Oc4ccnc(N)n4	67
+FC(F)(F)c1cc(Nc2nc(cc(O)n2)CCC)ccc1F	1334
+FC(F)(F)c1c(OCCOCc2ccccc2)ccc(c1)NC(=O)Cc3c(cc(cc3F)Br)F	26
+FC(F)(F)c1cc(N2CCOCC2)ccc1Nc3c4c(ccc(c4)-c5cccs5)ncn3	1373
+FC(F)(F)c1c(ccc(N)c1)CCF	890
+FC(F)(F)c1c(ccc(c1)Nc2ncnc(NN)n2)F	4196
+FC(F)(F)c1cc(OCc2nc(-c3c(F)cccc3)oc2C)ccc1CC(C(OC)=O)OCC	547
+FC(F)(F)c1cc(OC)ccc1Nc2ccc(c(F)c2)C#N	230
+FC(F)(F)c1cc(OC)ccc1Nc2ccc(cc2)C#N	230
+FC(F)(F)c1cc(S(=O)(=O)N(c2cc(cnc2C(O)c3cc(ccc3Cl)-n4cccn4)Cl)COC)ccc1Cl	3059
+FC(F)(F)c1c(ccc(S(=O)(=O)N(COC)c2cc(Cl)cnc2C(c3cccc(C)c3Cl)=O)c1)Cl	4564
+FC(F)(F)c1c(ccc(S(=O)(=O)Nc2nccnc2C(=O)O)c1)Cl	1
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)NC(=S)N)Cl	1099
+FC(F)(F)c1c(ccc(S(=O)(=O)c2ccc(cc2)N)c1)Cl	0
+FC(F)(F)c1cc(cc(Cl)c1N)[N+](=O)[O-]	196
+FC(F)(F)c1c(OC)ccc(N)c1	0
+FC(F)(F)c1c2c(ccc1C#N)n(Cc3oc(nn3)-c4cncc(Br)c4)c(CC)c2	9288
+FC(F)(F)c1c(-c2c3c(OC(C3)CN=[N+]=[N-])ccc2)cccc1	4738
+FC(F)(F)c1ccccc1-c2c(cc(cc2)C(=O)O)OCC	1
+FC(F)(F)c1ccccc1-c2c(cc3c(c(ccc3)C)n2)CN	2260
+FC(F)(F)c1c(cccc1)-c2nc3c(cccc3C(=O)Nc4cc(ccc4)OCC(CO)O)[nH]2	265
+FC(F)(F)c1ccccc1C2(CCN(CC2)Cc3ccccc3)O	251
+FC(F)(F)c1c(cccc1)C(N2CCN(CC2)c3cc([N+](=O)[O-])c(cc3)N)=O	9289
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3ccc(cn3)N	13
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3ncc(cc3)NC(=O)CCc4ccccc4	308
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3cc(c(cc3)N)N	0
+FC(F)(F)c1c(C(=O)N2CCN(CC2)C(CNC(c3ccccc3O)=O)=O)cccc1	10
+FC(F)(F)c1c(C(N2CCN(CC2)c3sc(cn3)C(OC)=O)=O)cccc1	641
+FC(F)(F)c1ccccc1C(N2CCN(CC2)c3nnc(N)cc3)=O	212
+FC(F)(F)c1c(cccc1)C(Oc2cc(sc2C(OC)=O)-n3c4cc(ccc4nc3)CSC)C	1672
+FC(F)(F)c1c(cccc1)C(Oc2c(C(OC)=O)sc(-n3c4c(ccc(CCl)c4)nc3)c2)C	2845
+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4cc(ccc4nc3)CSC)C)cccc1	1355
+FC(F)(F)c1c(C(Oc2cc(-n3c4c(cnc(c4)CO[Si](C)(C)C(C)(C)C)nc3)sc2C(N)=O)C)cccc1	1355
+FC(F)(F)c1ccccc1C2CCN(CC2)C(c3ccc(nn3)Cl)=O	147
+FC(F)(F)c1ccccc1-c2nc3c([nH]2)cccc3C(O)=O	622
+FC(F)(F)c1c(CC(N)CN2C(c3c(cccc3)C2=O)=O)cccc1	12
+FC(F)(F)c1ccccc1CCC2NCCNC2	25
+FC(F)(F)c1c(cccc1)COC2CNC2	2
+FC(F)(F)c1c(cccc1)COC2CN(C2)c3ccc(nn3)C(=O)NN	1726
+FC(F)(F)c1c(cccc1)COC2CN(C2)c3ccc(C(OC)=O)nn3	212
+FC(F)(F)c1c(cccc1)S(=O)(=O)Nc2nccnc2-c3ccc(cc3)CN(C)c4ccccc4	2786
+FC(F)(F)c1c(cccn1)-c2ccc3n(n2)cc(-c4cc(c(cc4)C)N)n3	0
+FC(F)(F)c1c(cccn1)-c2ccc3nc(cn3n2)-c4ccc(c(NC(=O)c5cccc(Br)c5)c4)C	50
+FC(F)(F)c1c(C(=O)NNC(=O)c2cc(OC)c(c([N+](=O)[O-])c2)OC)cccn1	4739
+FC(F)(F)c1nn(cc1CO)Cc2cc3c(C(CC3)NC(OCc4ccccc4)=O)cc2	536
+FC(F)(F)c1nc(N)ncc1C=O	1195
+FC(F)(F)c1nc(ncc1C(NCc2ccccc2)=O)Nc3cccc(Cl)c3	484
+FC(F)(F)c1c(C(O)C)cnc(Nc2cccc(Cl)c2)n1	4135
+FC(F)(F)c1c(cnn1-c2ccc(Cl)cc2Cl)C(=O)N	1356
+FC(F)(F)c1n(-c2ccc(Cl)cc2Cl)ncc1C#N	4740
+FC(F)(F)c1c(cnn1-c2c(Cl)cc(cc2)Cl)C(=O)O	6
+FC(F)(F)c1c(cnn1-c2cccc(-c3cc(F)ccc3C=Cc4ccc(cc4C)OC)n2)C(=O)OCC	1265
+FC(F)(F)c1c(cnn1-c2cccc(-c3cc(F)ccc3CCc4ccc(OC)cc4C)n2)C(=O)OCC	1442
+FC(F)(F)c1c(cnn1-c2cccc(-c3cc(F)ccc3CCc4c(cc(cc4)O)C)n2)C(=O)OCC	5
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(-c4ccc(cc4)C=O)n3	39
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(n3)-c4ccc(cc4)CO	9290
+FC(F)(F)c1n(ncc1C(=O)OCC)-c2nc(-c3ccccc3OCc4ccc(cc4)OCCOC)ccc2	22
+FC(F)(F)c1c(CC2CCC(CC2)(F)F)n3c(cc(cc3Cl)C(=O)O)n1	6
+FC(F)(F)c1ccc(nc1-c2ccc(cc2)OC)NCCCOc3ccc4C(CCc4c3)CC(=O)OCC	140
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	43
+FC(F)(F)c1c(nc(cc1)Oc2cc(ccc2)C=C3CCC(CC3)N)C	316
+FC(F)(F)c1c(nc(cc1)Oc2cc(C=C3CCC(CC3)=O)ccc2)C	97
+FC(F)(F)c1cnc(nc1I)SC	9291
+FC(F)(F)c1nc2c(nc1-c3c(Cl)cc(C(=O)O)cc3)ccc(c2)O	5
+FC(F)(F)c1cc(cnc1N2CCN(CC2)C(OCc3ccccc3)=O)NC(C)=O	9292
+FC(F)(F)c1c(ncc(c1)Br)N2CCN(CC2)C(OCc3ccccc3)=O	66
+FC(F)(F)c1c(nccc1)N2CCN(CC2)c3nc(Nc4ccc(cc4)C)cc(N5CCCCC5)n3	73
+FC(F)(F)c1scnc1-c2ccc3c(nccc3Cl)n2	9293
+FC(F)(F)c1c(noc1-c2nc(no2)-c3ccc(cc3)C(CN4CC(C(=O)O)CC(O)C4)O)-c5ccccc5	170
+FC(F)(F)c1c(oc(-c2ccccc2)n1)C(Nc3cnc(N4CCNC(C4)=O)cc3)=O	9294
+FC(F)(F)c1c(sc(CNC(=O)OC(C)(C)C)n1)C(N)=S	9295
+FC(F)(F)c1c2c(n(-c3ccc(cc3)C#N)n1)CCCC2	568
+FC(F)(F)c1nn(-c2ccc(cc2)CC(OCC)=O)c3c1CCCC3	901
+FC(F)(F)c1c2CCN(c3ccc(cc3)N4C(=O)CCCC4)C(=O)c2n(-c5ccc(c(c5)Cl)F)n1	883
+FC(F)(F)c1c2CCN(CC(NC)=O)Cc2n(CC(Nc3cc(ccc3OC)Cl)=O)n1	271
+FC(F)(F)c1nn(c2c1CCN(c3ccc(cc3)N4C(=O)CCCC4)C2=O)-c5ccc(c(c5)C#N)F	4741
+FC(F)(F)c1c2c(CCNC2)ccc1	318
+FC(F)(F)c1c2c(OCc3ccccc3)c(Br)ccc2nc(O)c1	22
+FC(F)(F)c1c2c(CC(C)(C)CC2=O)n(-c3cc(c(cc3)C#N)Br)n1	926
+FC(F)(F)c1c2c(nc(c1)OC(C)C)ccc(Br)c2O	16
+FC(F)(F)c1c2c(ccc1)c(cs2)C3CCNCC3	526
+FC(F)(F)c1c2c(c(ccn2)-c3cccc(C=O)c3)ccc1	699
+FC(F)(F)c1c2c(c(c(cc2)OCCCN(C)C(=O)Nc3nc(C)ccc3)CCC)on1	9296
+FC(F)(F)c1c2c(c(c(OCCCNC)cc2)CCC)on1	132
+FC(F)(F)c1c2c(ccc1)c(-c3cccc(c3)CNc4cccc5c(cccc45)CC(=O)O)ccn2	208
+FC(F)(F)c1c2c(c(n(Cc3c(cc(cc3F)F)F)n2)-c4cc(ccc4)C#Cc5cccc(C(NC)=O)c5)ccc1	14
+FC(F)(F)c1c2c(c(n(Cc3c(cc(cc3F)F)F)n2)-c4cc(ccc4)C#Cc5cccc(C(=O)O)c5)ccc1	6
+FC(F)(F)c1cccc2c(c(C(=O)OC)sc12)C3CCN(CC3)C(=O)C	58
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)N(OC)C	1012
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(c4)S(=O)(=O)CCCO)ccc3Cl)nc(C)nc12	304
+FC(F)(F)c1nn(c2c1CCCC2)-c3ccc(cc3)CN	107
+FC(F)(F)c1c2c(sc1)ncnc2Nc3ccccc3OC4CCOC4	1500
+FC(F)(F)c1c2cc(n(c2ccc1C#N)C(COS(=O)(=O)C)C)C	7
+FC(F)(F)c1c(C#N)ccc2n(C(CSC)C)c(cc12)C	786
+FC(F)(F)c1c2c(nc(O)c1)n3c(cc2)nc(C(NN)=O)c3	4742
+FC(F)(F)c1cc(cn2c(c(nc12)C(OCC)=O)Cl)-c3ccco3	9297
+FC(F)(F)c1cccn2c(-c3cc(Oc4cc(S(=O)(=O)C)ccc4)ccc3)c(nc12)C	46
+FC(F)(F)c1c2c(ccc1)c(c(C(O)=O)cn2)-c3ccccc3	6
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)c4cccc(C)c4	3060
+FC(F)(F)c1c[nH]c2nccc(Nc3ccc(N)cc3F)c12	0
+FC(F)(F)c1cc(-c2[nH]c(nc2)C3CCC(CC3)CNCC)ccc1	15
+FC(F)(F)c1cc(-c2[nH]c(nc2)C3CCC(CC3)CN)ccc1	102
+FC(F)(F)c1cc(-c2[nH]c(C3CCC(CC3)CNC(C)=O)nc2)ccc1	68
+FC(F)(F)c1cccc(-c2c(C)cc3c(c2Oc4ccc(cc4)C=O)ccc(OC)c3)c1	9298
+FC(F)(F)c1cc(-c2c(cc(cc2)NCc3c(cccc3F)F)F)n(C)n1	162
+FC(F)(F)c1cc(ccc1)-c2cc(C(NC)C)ccc2OCC(OC)=O	1607
+FC(F)(F)c1nc(-n2cnc(I)c2)nc(-c3cc(Cl)c(Cl)cc3)c1	937
+FC(F)(F)c1cc(-c2ccc(C=O)c(C)n2)ccc1	200
+FC(F)(F)c1nn(c(c1)-c2ccc(cc2)-c3cc(ccc3)S(=O)(=O)C)CC(O)=O	3
+FC(F)(F)c1cc(OC)c(CNc2ccc(-c3ccc(cc3)Cl)c(c2)Cl)c(c1)-c4ccc(cc4)C(OC)=O	208
+FC(F)(F)c1cc(-c2ccc(cc2)CCNS(=O)(=O)C)n(-c3ccc(cc3)Cl)n1	111
+FC(F)(F)c1cc(-c2ccc(cc2)CCN)n(-c3ccc(cc3)Cl)n1	45
+FC(F)(F)c1cc(-c2ccc(cc2)CCOS(=O)(=O)C)n(-c3ccc(cc3)Cl)n1	7
+FC(F)(F)c1cc(-c2ccc(cc2)CCN3C(=O)c4ccccc4C3=O)n(-c5ccc(cc5)Cl)n1	896
+FC(F)(F)c1cc(-c2ccc(cn2)N3CCN(CC3)C(OCC(NC)=O)=O)ccc1	271
+FC(F)(F)c1nccc(-c2cnc(C(Nc3nc(N4C(C(C)F)COC4=O)ccn3)C)cc2)c1	1333
+FC(F)(F)c1cccc(-c2cnn3c(nnc3n2)C)c1	4743
+FC(F)(F)c1c(ncc(-c2nc(c3c(n(nn3)C)c2)C#N)c1)OCCC4CCN(CC4)C(=O)OC(C)(C)C	2259
+FC(F)(F)c1c(ccc(-c2nc(NC(=O)c3ccc(cc3)Nc4ncnc(N(C)C)c4)sn2)c1)F	3875
+FC(F)(F)c1cccc(-c2nc3ccc(S(=O)(=O)C)cc3c(C(O)=O)c2CN4CCC(CC4)N5CCCCC5)c1	1
+FC(F)(F)c1cc(-c2nc3c(cc2)N4CCC(N3C(=O)Nc5cc(-c6cnco6)cc(-c7cnco7)c5)C4)ccc1	2792
+FC(F)(F)c1cc(-c2ncc(NC(c3cc(ccc3N)N4CCCCC4)=O)nc2)ccc1	0
+FC(F)(F)c1c(OCC)nc(c(c1)-n2c(C)ccc2C)C(=O)O	1
+FC(F)(F)c1cc(OC)c2c(n3c(c(C)nc3-c4c(cncc4)C)nn2)c1	2051
+FC(F)(F)c1cc(-n2cnc(C)c2)c(c(Cl)c1)N	0
+FC(F)(F)c1cc2c(c(c1)Cl)nnc3c(C)ncn23	2051
+FC(F)(F)c1cc(ccc1F)-c2nc(C=O)ccc2	119
+FC(F)(F)c1c(ccc(c1)-c2nc(C#N)c3ncn(C)c3c2)OCCCO	1165
+FC(F)(F)c1cc(B(O)O)ccc1OCCCO	168
+FC(F)(F)c1c(ccc(B(O)O)c1)OCCOC2CCCCO2	579
+FC(F)(F)c1cc(Br)c2ncc(C(OCC)=O)n2c1	9299
+FC(F)(F)c1cc(c2c(c1)NCC2)Br	931
+FC(F)(F)c1cc2c(scc2)c(c1)Br	1539
+FC(F)(F)c1cc(c2n(c1)c(cn2)C(O)=O)Br	6
+FC(F)(F)c1c(c(cc(N2Cc3c(CC2)cccc3)c1)Cl)NC(CCC4CCCC4)=O	79
+FC(F)(F)c1cc(Br)cc(N2CCN(CC2)C(C)=O)c1	58
+FC(F)(F)c1cc(Br)cc(N2CCNCC2)c1	2
+FC(F)(F)c1c(OCc2ccccc2)ccc(c1)Oc3ccc(cc3)OCC	304
+FC(F)(F)c1cc2cc[nH]c2cc1F	4574
+FC(F)(F)c1cc(c(-c2cc(S(=O)(=O)Cl)c(OC)cc2Cl)cn1)C#N	240
+FC(F)(F)c1cc(Oc2c(c(C)ccc2Cl)F)cc(c1)C#N	46
+FC(F)(F)c1c(ccc(C#N)c1)Oc2c(cc(cc2)C=C3C(=O)NC(=S)S3)OC	1149
+FC(F)(F)c1cc(C(NO)=N)nc(C(C)C)n1	958
+FC(F)(F)c1cc([N+](=O)[O-])cc(c1)C=O	760
+FC(F)(F)c1cc(C(NCC(NC2CCN(C2)C3CCN(C3)C(=O)OCc4ccccc4)=O)=O)ccc1	85
+FC(F)(F)c1cc(N)cc(c1)C(=O)Nc2cc(-c3n4c(cc(n4)-c5ccncc5)ncc3)ccc2	0
+FC(F)(F)c1cc(C(Nc2cc(NC(=O)c3cnc(SC)nc3N)c(C)cc2)=O)ccc1	9300
+FC(F)(F)c1c(ccc(-c2onc(-c3cc(c(S(=O)(=O)N)cc3)CC)n2)c1)-c4ccccc4	2185
+FC(F)(F)c1cc(-c2onc(n2)-c3cc4c(cc3)nc[nH]4)ccc1N5C(CCCC5)C	529
+FC(F)(F)c1cc(CO)ccc1OCCCCCCC	49
+FC(F)(F)c1nn(c(c1)CO)-c2ccc(cc2)[N+]([O-])=O	629
+FC(F)(F)c1cc(C(OC)=O)cc(c1)N	0
+FC(F)(F)c1cc(cc(c1)C(NN)=O)[N+]([O-])=O	296
+FC(F)(F)c1cc(ccc1-c2cscc2C)C(=O)O	1
+FC(F)(F)c1c(CC2CCCCC2)ccc(c1)C(=O)O	1
+FC(F)(F)c1c(ccc(c1)C(=O)O)CN2CCN(CC2)C(=O)OC(C)(C)C	1
+FC(F)(F)c1c(SC)ccc(c1)C(C(O)=O)CC2CCCC2	411
+FC(F)(F)c1cc(C(CC(C)C)C(O)=O)ccc1[N+]([O-])=O	3
+FC(F)(F)c1cc(ccc1N)C(C(OCC)=O)CC(C)C	0
+FC(F)(F)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1O	31
+FC(F)(F)c1c(N)ccc(C(=O)C)c1	0
+FC(F)(F)c1cc(C(F)(F)F)ccc1Cn2c3ccc(cc3c(n2)Cl)C=O	823
+FC(F)(F)c1cc(C(F)(F)F)ccc1Cn2nc(Cl)c3cc(C=C4C(N=C(S4)N5CC(CO)OCC5)=O)ccc23	1149
+FC(F)(F)c1cc(C(NCC(=O)NC2CCN(C3C(NCc4ccccc4)CCCC3)C2)=O)ccc1	42
+FC(F)(F)c1cc(C(NCC(=O)NC2CCN(C2)C3C(N)CCCC3)=O)ccc1	18
+FC(F)(F)c1cc(C(NCC(NC2CCN(C3CNCC3)C2)=O)=O)ccc1	62
+FC(F)(F)c1cc(C(NCC(=O)NC2CN(CC2)C3CCN(C3)c4ccc(cc4)C(OC)=O)=O)ccc1	79
+FC(F)(F)c1cc(C(NCC(NC2CN(C2)C3CCC(CC3)c4ccc(cc4)CC(=N)N)=O)=O)ccc1	3824
+FC(F)(F)c1nc(C(C)C)nc(C2=NC(=O)ON2)c1	1988
+FC(F)(F)c1cc(C(=O)O)c(Cl)c([N+](=O)[O-])c1	31
+FC(F)(F)c1cc(CO)cc(-n2nnnc2C)c1	49
+FC(F)(F)c1cc(C(=O)Nc2cc(I)c(cc2)C)ccc1	67
+FC(F)(F)c1c(OCC2CC2)ccc(c1)CO	49
+FC(F)(F)c1cc(C(O)=O)cc(-n2nnnc2C)c1	1
+FC(F)(F)c1cc(C(OC)=O)cc(-n2nnnc2C)c1	9301
+FC(F)(F)c1cc(n(-c2ccc(cc2)[N+]([O-])=O)n1)C(OC)=O	77
+FC(F)(F)c1ccc(Oc2cccc(CC(=O)OC)c2)c(c1)C=O	1054
+FC(F)(F)c1cc(C2CC2)n(n1)-c3c(cc(cc3F)[N+](=O)[O-])F	926
+FC(F)(F)c1cc(N)cc(c1)C2CCN(CC2)C	191
+FC(F)(F)c1cc(cc(Cl)c1N)CCC(N2C(OCC2Cc3ccccc3)=O)=O	1320
+FC(F)(F)c1cccc(C=2Oc3c(C(=O)O)cccc3C(=O)C=2)c1	9302
+FC(F)(F)c1cc(C(=NO)Cl)c(cc1)F	761
+FC(F)(F)c1cc(c(-c2c(OC)ccc(CC(OCC)=O)c2)cc1)CO	41
+FC(F)(F)c1cc(CNCc2ccccc2)c(-c3cc(CC(=O)OC)ccc3OC)cc1	42
+FC(F)(F)c1cc(c(cc1)OCOC)CO	41
+FC(F)(F)c1cc2c(sc(C(=O)OC)c2)c(c1)Br	1425
+FC(F)(F)c1cc(c(Oc2cccc(c2)C(C(=O)O)C)cc1)CN3CCOC3=O	9303
+FC(F)(F)c1cc(Cn2c3c(c(I)c2C(OCC)=O)cc(-c4ccc(cc4)OC)cc3)ccc1	190
+FC(F)(F)c1c(ccc(CC(=O)Nc2c3c(C(=O)N(CCOC(=O)C)C=C3)ccc2Cl)c1)F	33
+FC(F)(F)c1cc(ccc1)CC(NC(CCCc2ccccc2)=O)C(O)c3ccc(cc3)F	9
+FC(F)(F)c1cc(CC(Nc2ncc(N3CCN(CC3)C(C)=O)cc2)=O)ccc1-c4cc(ncc4)C	498
+FC(F)(F)c1cc(cc(CN2CCN(CC2)C)c1)N	0
+FC(F)(F)c1cc(CNC(Nc2ccc(C=O)c(c2)F)=O)n(-c3cccc(c3)Cl)n1	39
+FC(F)(F)c1cc(cc(c1)CNC(C)C)C(=O)Nc2cc(c(C)cc2)Nc3cc(nn3-c4ncnc(NC)c4)C	67
+FC(F)(F)c1ccc(c(CN(CC)S(=O)(=O)c2ccc3c(cccc3)c2)c1)Oc4cc(ccc4)CC(OC)=O	92
+FC(F)(F)c1cc(cc(c1)COS(=O)(=O)C)-n2c(C)nnn2	7
+FC(F)(F)c1cc(COc2ccc3c(c4c(C(CC(=O)O)CC4)[nH]3)c2)ccc1CC5CCCCC5	3
+FC(F)(F)c1cnc(-c2ccc3N(C(=O)Nc3c2)C(C)C)c(c1)Cl	1019
+FC(F)(F)c1cc(Cl)c(c(c1)Cl)Oc2cc([nH]n2)C	9304
+FC(F)(F)c1cc(c(S(=O)(=O)Nc2cc(Cl)c(c(c2)Cl)Oc3sc4cc(ccc4n3)[N+]([O-])=O)cc1)Cl	1523
+FC(F)(F)c1cc(Cl)c(-c2cc(N)c(NC(C)C)cc2)nc1	0
+FC(F)(F)c1cc(cc(Cl)c1)C(NC)C	1607
+FC(F)(F)c1cccc(c1C=O)Cl	9305
+FC(F)(F)c1cc(Cl)ccc1-c2c(cc(N)c(c2)N)Cl	0
+FC(F)(F)c1cc(ccc1C(C(=O)O)CCCCl)Cl	4
+FC(F)(F)c1cc(ccc1C(CCCCl)C#N)Cl	143
+FC(F)(F)c1c(Cn2nc(c3c2ccc(C=O)c3)Br)ccc(Cl)c1	823
+FC(F)(F)c1cc(Cl)n[nH]1	9306
+FC(F)(F)c1c2c(n[nH]c2I)nc(Cl)c1	4744
+FC(F)(F)c1ccnc(N2C3C(C(O)(c4ccccc4)CC2)CCCC3)c1	43
+FC(F)(F)c1ncnc(N)c1	266
+FC(F)(F)c1cccc(Cn2c3c(c(-c4cccc(C(C)=O)c4)c2C(OCC)=O)cc(cc3)-c5ccc(cc5)OC)c1	9307
+FC(F)(F)c1ccc(-c2ncnc(Nc3cc4cc[nH]c4cc3)c2[N+]([O-])=O)c(F)c1	198
+FC(F)(F)c1ccc(c(c1)F)CCC(NCCCc2cc(C)nn2CC)=O	9
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(c3cc(S(=O)(=O)C)ccc3SCC)=O	30
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(c3cc(ccc3SC)S(=O)(=O)C)=O	30
+FC(F)(F)c1cc(c(c(Cl)c1)-n2c(N)ccn2)F	2257
+FC(F)(F)c1cc(-n2cc(C)nc2)c(c(Cl)c1)[N+]([O-])=O	431
+FC(F)(F)c1cc(F)c(cc1)-c2c3c(n(cn3)-c4ccc(cc4)O)ncn2	5
+FC(F)(F)c1cc(F)c(cc1)C(C2CC2C#N)O	74
+FC(F)(F)c1cc(c(C(c2c3cc(cc(c3[nH]c2)CS(=O)(=O)C)F)C4CC4C#N)cc1)F	2523
+FC(F)(F)c1cc(cc([N+](=O)[O-])c1NC(C)=O)Oc2ccc(cc2)C=O	46
+FC(F)(F)c1cc(F)cc([N+]([O-])=O)c1NC(C)=O	31
+FC(F)(F)c1ccnc(OCC2N(CC(CC2)C)C(c3nc(ccc3-c4ncccn4)C)=O)c1	430
+FC(F)(F)c1cc(-c2cccc(N)c2)c3c(ncn3-c4ccccc4)c1	4745
+FC(F)(F)c1cc(c(C(=O)N)nc1)N	1200
+FC(F)(F)c1cc2nc(nc(O)c2cc1)-c3ccccc3SCC	748
+FC(F)(F)c1ccc2S(=O)(=O)Nc3c4c(cccn4)c(cc3-c2c1)F	1763
+FC(F)(F)c1cc(N)c(S(=O)(=O)Nc2cccc3c(OC)ccnc23)cc1	9308
+FC(F)(F)c1cc-2c(S(=O)(=O)Nc3c-2cc(c4cccnc34)Cl)cc1	1763
+FC(F)(F)c1cc(c2c(c1)-c3ccc4c(c3NS2(=O)=O)nccc4OC)N	9309
+FC(F)(F)c1cc(Br)c2c(c1)[nH]cc2	9310
+FC(F)(F)c1cc(cc(c1)N)CN(C)C	162
+FC(F)(F)c1c(c(Br)ccc1)NC(C)=O	480
+FC(F)(F)c1cc(NC(=O)Oc2ccccc2)n(-c3ccccc3)n1	278
+FC(F)(F)c1cc(NC(NS(=O)(=O)c2sc(CCOC(=O)C)c(c2)C)=O)nc(C(OC)=O)c1	4746
+FC(F)(F)c1cc(ccc1)N2C(=C(C(O)=O)C(NC2=O)c3c(S(=O)(=O)C(C)C)cc(cc3)C#N)C	9311
+FC(F)(F)c1cc(N2C(C)=C(C(c3ccc(cc3[N+]([O-])=O)C#N)NC2=O)C#N)ccc1	4747
+FC(F)(F)c1c(C#N)ccc(c1)N2C(N(C)C(CO)(c3ccc(cc3)F)C2=O)=O	4729
+FC(F)(F)c1cc(N2C(C)=C(C(NC2=O)c3c(cc(cc3)C#N)S(=O)(=O)C(C)C)C#N)ccc1	4747
+FC(F)(F)c1cc(ccc1)N2C(NC(C(C(=O)O)=C2C)c3ccc(cc3)C#N)=O	108
+FC(F)(F)c1cc(N2C(C)=C(C=C(C2=O)C(NCc3ccc(cc3)S(=O)(=O)C)=O)C(=N)NO)ccc1	9312
+FC(F)(F)c1cccc(c1)N2C(C(C(=O)NCc3ccc(cc3)S(=O)(=O)C)=CC=C2C)=O	4748
+FC(F)(F)c1cc(ccc1)N2C=C(O)C(=O)C(c3ccnn3-c4ccccc4)=N2	9313
+FC(F)(F)c1cc(N2CCC(CC2)NCC(c3n(C)c4c(cccc4)n3)O)nc5sc(C(N)=O)c(N)c15	3763
+FC(F)(F)c1c(NC(Cc2ccc(cc2)F)=O)c(Br)cc(c1)N3CCOCC3	26
+FC(F)(F)c1nn(-c2ccccc2)c(c1)NC(=O)Nc3cccc(Sc4ncnc5cc(OC)c(cc45)OC)c3	446
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(-c3cc([N+](=O)[O-])ccc3)c(cc2)C	1762
+FC(F)(F)c1cc(ccc1-n2ccnc2C)NC(=O)c3cc(Nc4nc5c(cccc5)n4-c6cc(ncn6)N)c(C)cc3	1494
+FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)Br)ccc1Cl	648
+FC(F)(F)c1cc(NC(NS(=O)(=O)c2cc(c(CCO)s2)C)=O)nc(C(OC)=O)c1	59
+FC(F)(F)c1cc(c(cc1)C=CC(=O)OC)NCC	530
+FC(F)(F)c1cc(Nc2cc(cc(-c3sc(nc3)C4(O)CCc5c4ccc(C(=O)O)c5)n2)C)ncc1	1
+FC(F)(F)c1c(ccc(c1)Nc2nc(NN)nc(Cl)n2)F	4720
+FC(F)(F)c1cc(cc(Nc2ncc(c(n2)Nc3c(C(=O)NC)cccc3)Cl)c1)N	0
+FC(F)(F)c1c(F)ccc(Oc2ccc(cc2C#N)C=O)c1	46
+FC(F)(F)c1cc(c(CCN)cc1)OC	157
+FC(F)(F)c1cc(OC)ccc1Nc2ccc(c(F)c2)CN	107
+FC(F)(F)c1cc(OC)ccc1Nc2ccc(cc2)CN	107
+FC(F)(F)c1cc(OCC(Cn2nnc3cc(c(cc23)C)N)=NOC)ccc1	0
+FC(F)(F)c1cc(c(C=O)cc1)O	9314
+FC(F)(F)c1c(ccc(c1)O)CC(C(OC)=O)OCC	16
+FC(F)(F)c1c(ccc(OCc2nc(-c3c(F)cccc3)oc2C)c1)CC(C(=O)O)OCC	4
+FC(F)(F)c1cc(c(COS(=O)(=O)C)cc1)Oc2cc(C#N)ccc2	7
+FC(F)(F)c1cc(Oc2cc(C(=O)NN)ccc2)ccc1	296
+FC(F)(F)c1cc(Oc2cc(cc(c2)Sc3ccc(c(c3)C)OCC(=O)O)C#CCN4CCOCC4)ccc1	3
+FC(F)(F)c1cc(Oc2ccc(cc2)CCO)ccc1Cl	1709
+FC(F)(F)c1cc(Oc2ccc(cc2)CO)ccc1Cl	41
+FC(F)(F)c1cc(Oc2ccc(cc2)C=C)ccc1Cl	4749
+FC(F)(F)c1cc(Oc2ccc(cc2)CCNc3ncc(c(O)n3)Cc4cnc(nc4)C)ccc1Cl	785
+FC(F)(F)c1cc(Oc2ccc(cc2)CCI)ccc1Cl	4750
+FC(F)(F)c1cc(Oc2ccc(cc2)CCOC3=NC(N4C(N(CCC4)C)=C3)=O)ccc1Cl	2468
+FC(F)(F)c1cc(Oc2ccc(cc2)CCN)ccc1Cl	157
+FC(F)(F)c1cc(Oc2ccc(cc2)CSc3ncc(CO)c(O)n3)ccc1Cl	897
+FC(F)(F)c1cc(S(=O)(=O)CCSc2ncccc2N)ccc1	13
+FC(F)(F)c1c(ccc(S(=O)(=O)Nc2c(ncc(Cl)c2)C3OC(c4c3c(Cl)ccc4)=O)c1)Cl	2258
+FC(F)(F)c1c(ccc(S(=O)(=O)N(c2cc(Cl)cnc2C(c3c(ccc(c3)-n4cccn4)Cl)=O)COC)c1)Cl	2229
+FC(F)(F)c1cc(cc(c1)S(=O)(=O)N2CC3(C(=O)NCC3)CCC2)C	2471
+FC(F)(F)c1cccc(SC2C(COCC2)c3ccc(cc3)Cl)c1	2254
+FC(F)(F)c1cc(SC2CCOC(c3n(nc(Br)c3)C)C2)ccc1	2254
+FC(F)(F)c1cc(ccc1)SC(C)C2CN(C(=O)C2)Cc3ccc(cc3)OC	4103
+FC(F)(F)c1c(-n2c(ncc2)C)cc(c(c1)[N+]([O-])=O)NC(=O)C(=O)OCC	994
+CC(C)(C)OC(N(C)C1CN(CCC1)c2c(cc(C(F)(F)F)cc2)N)=O	0
+FC(F)(F)c1cc(N)c(N2CCCCC2)c(c1)C(=O)Nc3ccc(c(Cl)c3)Cl	0
+FC(F)(F)c1cc(Br)c(NC)c(N)c1	0
+FC(F)(F)c1cc(cc(-c2cnco2)c1)N	0
+FC(F)(F)c1c(F)c(Cl)cc(N)c1	0
+FC(F)(F)c1cc(cc(N)c1)O	0
+FC(F)(F)c1cc([N+](=O)[O-])cc(-c2ocnc2)c1	2939
+FC(F)(F)c1ccc(Nc2c(OC)cc(c(c2)CC)OC)c(N)c1	0
+FC(F)(F)c1cc(N)c(S(=O)(=O)Nc2c3nccc(c3ccc2Cl)OC)cc1	0
+FC(F)(F)c1c(N)c(cc(c1)N)Br	0
+FC(F)(F)c1cc([N+]([O-])=O)ccc1-c2ncc(cc2)Cn3ncc4nc(nc4c3)-c5c(F)c(ccc5)F	9315
+FC(F)(F)c1cc(N)ccc1-c2ccc(cn2)Cn3ncc4nc(nc4c3)-c5c(F)c(ccc5)F	0
+FC(F)(F)c1cc(C2=Cc3c(c(ncc3N(Cc4ccccc4)C2=O)C(=O)OC)O)ccc1	1510
+FC(F)(F)c1cnc(-c2c(F)cc(Cl)c(c2[N+](=O)[O-])O)c(c1)Cl	31
+FC(F)(F)c1cc(c(cn1)-c2c(Cl)cc(c(S(=O)(=O)N(C)c3ccccc3)c2)OC)C#N	416
+FC(F)(F)c1c(cc(c([N+]([O-])=O)c1)C#N)C	180
+FC(F)(F)c1cc(N)c(c(Br)c1)C#C	75
+FC(F)(F)c1cnc(c([N+]([O-])=O)c1)C(N)=O	862
+FC(F)(F)c1cc2c(nc1)c(nc(-c3ccccc3SCC)n2)O	9316
+FC(F)(F)c1cc(c(C(NC2C(CCC2)N)=O)c(SC)c1)OC	12
+FC(F)(F)c1cc([N+]([O-])=O)c(c(C(=O)O)c1)C	31
+FC(F)(F)c1ccc(c(Cn2nc(nn2)C)c1)C=CC(O)=O	108
+FC(F)(F)c1cc(c(cc1)CCNC(c2ccc(cc2)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl)=O)OC	14
+FC(F)(F)c1cnc(c(Cl)c1)-c2ccc(c(OC)c2)Cl	140
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)[N+]([O-])=O	136
+FC(F)(F)c1cc(cc(I)c1)Cl	480
+FC(F)(F)c1cc2NC(=O)CC(c3ccnc(-c4cnccc4)c3)=Nc2cc1OCC	690
+FC(F)(F)c1ccc2c(c1)NC(=O)N2C3CCC(CC3)O	1019
+FC(F)(F)c1cc(N)c(NC2CCCCC2)cc1	0
+FC(F)(F)c1ccc(c(C=2CCCCC=2c3nc(ccc3)C(=O)OCC)c1)OCc4ccccc4	3061
+FC(F)(F)c1cnc(S)c(c1)N	13
+FC(F)(F)c1cc(c(c(-n2cc(C)nc2-c3c(cncc3)C)c1)[N+]([O-])=O)OC	9317
+FC(F)(F)c1cc(-n2c(nc(c2)C)-c3c(cncc3)C)c(c(c1)OC)N	0
+FC(F)(F)c1cc(N)c(c(c1)C(=O)OC)C	0
+FC(F)(F)c1cc(SC)c(C(=O)NC2(c3ccccc3)CCCN(C(=O)OCc4ccccc4)C2)c(OC)c1	93
+FC(F)(F)c1cc(C(=O)Nc2cc(Cl)c(Cl)cc2)c(c(c1)[N+]([O-])=O)Cl	50
+FC(F)(F)c1cc(F)c(cc1)-c2c3c(ncn2)n(-c4ccc(cc4)OC)cn3	2853
+FC(F)(F)c1ccc(-c2ncnc(Oc3c4c(ccc3)sc(NC(C)=O)n4)c2)c(NC(=O)OC(C)(C)C)c1	4751
+FC(F)(F)c1cc(c(cc1)-c2c3c(cc(cc3)S(=O)(=O)Nc4nccs4)n(C)c2)-c5n(ncc5)C	4752
+FC(F)(F)c1cc(C=O)c(Br)cc1	39
+FC(F)(F)c1cc(c(cc1)Br)SC2CC(c3ccc(cc3)Cl)OCC2	2254
+FC(F)(F)c1cc(F)c(C(=O)Nc2cc(O)ncc2)cc1	104
+FC(F)(F)c1cc(F)c(cc1)C(=O)NCCn2cc(nc2)C(OC)=O	14
+FC(F)(F)c1ccc(C)c(c1)N	0
+FC(F)(F)c1ccc(C=CC(O)=O)c(c1)NCC	127
+FC(F)(F)c1cc(c(cc1)CCNC(c2ccc(cc2)Oc3cc4OCCC(c4cc3Cl)C(O)=O)=O)OC	3
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CNc3ccccc3)CC2C)=O	93
+FC(F)(F)c1ccc(Oc2c(OC)ccc(CC(=O)OCC)c2)c(c1)C=O	46
+FC(F)(F)c1cc(OC(F)F)c(cc1)Oc2cc3occc3cc2	46
+FC(F)(F)c1ccc(I)c(c1)CO	611
+FC(F)(F)c1cc(c(cc1)N(CC2CCC(CC2)CC(=O)OCC)CC)CO	41
+FC(F)(F)c1cc(NC(=O)C2CCC3(CC2)CC(=O)N(c4ccccc4)C3)c(N)cc1	33
+CC(C)(C)[Si](C)(C)OC1CCCN(C1)c2ccc(C(F)(F)F)cc2N	0
+FC(F)(F)c1cc(NC(=O)c2ccncc2)c(N3c4c(cccc4)CC3)cc1	50
+FC(F)(F)c1cc(c(NC2CCC(CC2)O)cc1)N	0
+FC(F)(F)c1ccc(O)c(c1)C(=O)C=CN(C)C	277
+FC(F)(F)c1cc(c(cc1)OCc2ccccc2)CO	22
+FC(F)(F)c1ccc(O)c(Cn2ncnc2)c1	9318
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)O	3
+FC(F)(F)c1cc(c(cc1)O)CO	241
+FC(F)(F)c1ccc(c(c1)CN=[N+]=[N-])OCc2ccccc2	925
+FC(F)(F)c1ccc(Oc2cccc(CC(O)=O)c2)c(c1)CN(S(=O)(=O)c3ccc(cc3)Cl)C	92
+FC(F)(F)c1cc(Cl)c(cc1)S(=O)(=O)Nc2cc(Cl)c(c(Cl)c2)O	69
+FC(F)(F)c1ccc(c([N+]([O-])=O)c1)S(=O)(=O)Nc2c3c(c(cc2)F)cccn3	322
+FC(F)(F)c1ccc(S(=O)(=O)Nc2ccc(c3cccnc23)Cl)c([N+]([O-])=O)c1	322
+FC(F)(F)c1cc([N+]([O-])=O)c(cc1)S(=O)(=O)Nc2c3nccc(c3ccc2Cl)OC	322
+FC(F)(F)c1cc(C2CCN(CC2)C(=O)OC(C)(C)C)c(cc1)Sc3ccc(cc3)Cl	564
+FC(F)(F)c1ccc(cc1C)C#N	480
+FC(F)(F)c1cc([N+](=O)[O-])c(N)cc1-n2ccnc2C	2067
+FC(F)(F)c1cc(c(cn1)-c2c(cc(O)c(S(=O)(=O)N(c3ccccc3)C)c2)Cl)C#N	5
+FC(F)(F)c1cc(C#N)c(cn1)-c2ccc(cc2Cl)OC	89
+FC(F)(F)c1ncc(c(N)c1)I	1724
+FC(F)(F)c1cnc(c(c1)C(=O)N)Cl	3454
+FC(F)(F)c1cc(c(S)nc1)[N+](=O)[O-]	9319
+FC(F)(F)c1cc(c(C#N)nc1)[N+](=O)[O-]	1958
+FC(F)(F)c1ccc2c(c1)-c3ccc4c(nccc4OC)c3NS2(=O)=O	480
+FC(F)(F)c1cc(c2cc(-c3cc4ccccc4o3)ccc2n1)O	3062
+FC(F)(F)c1cc(Cl)c2nc(C(NS(=O)(=O)c3c(ccc(CC)c3)Cl)=O)cn2c1	9320
+FC(F)(F)c1cc(cc(N)c1)-c2nnc(o2)C	0
+FC(F)(F)c1cc(cc(Br)c1)C(N(C)CC(c2ccc(cc2)F)CC=O)=O	465
+FC(F)(F)c1cc(cc(N(C)C)c1)C=O	9321
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2CCc3nc(CN)ccc3C2c4ccc(cc4)F)C	421
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2C(c3c(nc(C#N)cc3)CC2)c4ccc(cc4)F)C	9322
+FC(F)(F)c1cc(-c2ccc(cc2)C#N)cc(CO)c1	11
+FC(F)(F)c1cc(cc(c1)I)C=O	39
+FC(F)(F)c1cc(cc(CO)c1)I	9323
+FC(F)(F)c1cc(cc(COC(=O)C)n1)CC	174
+FC(F)(F)c1cc(cc(n1)CO)CC	59
+FC(F)(F)c1cc(cc(COCC2(CCNCC2)c3ccc(F)cc3Br)c1)-c4ccc(cc4)C#N	2
+FC(F)(F)c1cc(cc(Cl)c1)Oc2ccc(cc2)CCO	1709
+FC(F)(F)c1cc(cc(Cl)c1)Oc2ccc(cc2)CCOC(N)=N	4753
+FC(F)(F)c1cc(cc(Oc2ccc(cc2)CCOc3ncc(c(n3)O)Cc4cnc(nc4)OC)c1)Cl	3063
+FC(F)(F)c1cc(cc(Cl)c1N)C(O)CN(Cc2ccccc2)CCCCCCOCCc3ncccc3	4754
+FC(F)(F)c1c(N)c(cc(C(O)CNCCCCCCOCCc2ncccc2)c1)Cl	25
+FC(F)(F)c1cc(N)cc(Cl)c1N	0
+FC(F)(F)c1cc(cc(N(C)C)c1)C=C[N+]([O-])=O	417
+FC(F)(F)c1cc(C=2CCN(CC=2)C)cc(N)c1	352
+FC(F)(F)c1cc(O)cc(I)c1	158
+FC(F)(F)c1cc(cc(c1)O)N=C(N)N	4755
+FC(F)(F)c1cc(Nc2ncc(c(Nc3c(C(=O)NC)cccc3)n2)Cl)cc([N+](=O)[O-])c1	55
+FC(F)(F)c1cc(cc(N)c1)CCCN2CCOCC2	106
+FC(F)(F)c1cc(cc(c1)[N+](=O)[O-])CO	49
+FC(F)(F)c1cc(C(=O)N(OC)C)cc([N+](=O)[O-])c1	280
+FC(F)(F)c1cc([N+](=O)[O-])cc(O)c1	5
+FC(F)(F)c1cc(cc(c1N)N)Cl	0
+FC(F)(F)c1cc(Oc2c(Cl)ccc(CN)c2F)cc(c1)C#N	1551
+FC(F)(F)c1cc(cc(-c2nnc(o2)C)c1)[N+]([O-])=O	2959
+FC(F)(F)c1cc(Cl)cc(c1)C(=O)C	1024
+FC(F)(F)c1cc(cc(CO)c1)N	0
+FC(F)(F)c1cc(N)cc(C(=O)N(C)C)c1	0
+FC(F)(F)c1c(c(Cl)cc(C=O)c1)N	39
+FC(F)(F)c1cc(cc(C=O)n1)CC	178
+FC(F)(F)c1nc(Cl)cc(CSC)c1	1672
+FC(F)(F)c1cccc(-c2c3OC(Cc3ccc2)CN=[N+]=[N-])c1	254
+FC(F)(F)c1cc(ccc1)-c2cc(ccc2OCC(=O)O)C(C)N(C)S(=O)(=O)c3ccc(cc3)F	4
+FC(F)(F)c1cc(ccc1)-c2cc(C(C)N(C)S(=O)(=O)c3ccc(cc3)F)ccc2OCC(OC)=O	92
+FC(F)(F)c1cc(-c2cc3c(cc2)nccc3SC4(CCC4)C(=O)O)ccc1	3
+FC(F)(F)c1cc(-c2ccc(c(n2)C)CO)ccc1	88
+FC(F)(F)c1cccc(-c2nnc3c(C(OC(=O)Oc4ccccc4)CC(C3)C)c2)c1	405
+FC(F)(F)c1cc(ccc1)-n2cc(N)nc2	1901
+FC(F)(F)c1cc(-c2[nH]c(C3CCC(CC3)CNC(OCc4ccccc4)=O)nc2)ccc1	2841
+FC(F)(F)c1cccc(C(Nc2ccc(c(C(O)=O)c2)Cl)=O)c1	50
+FC(F)(F)c1cc(C(NCC(O)=O)=O)ccc1	946
+FC(F)(F)c1cccc(c1)C(Nc2c(C)cc(C)c(Br)c2C)=O	50
+FC(F)(F)c1cccc(c1)C(Nc2cc(c(C)nc2)I)=O	660
+FC(F)(F)c1cc(C(Nc2ccnc(c2)Cl)=O)ccc1	50
+FC(F)(F)c1cccc(C(Nc2cc(c(F)cc2)[N+](=O)[O-])=O)c1	50
+FC(F)(F)c1cccc(C(=O)Nc2cc(ccc2)C(=O)OC)c1	50
+FC(F)(F)c1cc(C(NC2C(CN(CCNc3ncccn3)CC2)O)=O)ccc1	93
+FC(F)(F)c1cc(ccc1)CC2NC(OC2c3ccc(cc3)F)=O	3064
+FC(F)(F)c1cc(ccc1)CC(C(=O)O)C(c2ccc(cc2)F)O	3
+FC(F)(F)c1cc(ccc1)CC(C(=O)OCC)C(c2ccc(cc2)F)O	2261
+FC(F)(F)c1cc(CC(N)C(c2ccc(cc2)F)O)ccc1	886
+FC(F)(F)c1cc(ccc1)-n2cc([N+]([O-])=O)nc2	1444
+FC(F)(F)c1cccc(c1)N2CCC(C2=O)C(=O)O	9324
+FC(F)(F)c1cccc(c1)NC(c2cc(sc2C)S(=O)(=O)Cl)=O	1899
+FC(F)(F)c1cc(ccc1)Nc2c3[nH]cnc3nc(n2)Cl	1185
+FC(F)(F)c1cc(ccc1)Nc2nccc3c([N+]([O-])=O)c(C)ccc23	201
+FC(F)(F)c1cc(ccc1)Nc2nccc3c(c(ccc23)C)I	201
+FC(F)(F)c1cc(ccc1)NC(=O)c2ccc(cc2)[N+](=O)[O-]	50
+FC(F)(F)c1cccc(NC(=O)C2CCN(CC2)c3nsnc3OCc4ccncc4)c1	33
+FC(F)(F)c1cc(N2C(=O)NC(c3c(cc(C#N)cc3)S(=O)(=O)C(C)C)C(=C2C)C(N)=O)ccc1	3053
+FC(F)(F)c1cccc(N2C(=O)C(COS(=O)(=O)C)CC2)c1	7
+FC(F)(F)c1cc(ccc1)N2C=3CCCC(=O)C=3C(N(CC(O)=O)C2=O)c4ccc(cc4)C#N	4
+FC(F)(F)c1cc(ccc1)N2C(N(C(C(C#N)=C2C)c3c(N)cc(cc3)C#N)C)=O	0
+FC(F)(F)c1cc(ccc1)N2C(=C(C(c3c(cc(cc3)C#N)C(O)=O)N(C)C2=O)C(=O)OCC)C	1
+FC(F)(F)c1cc(ccc1)N2C(=O)C(CO)CC2	4756
+FC(F)(F)c1cc(N2C(=C(C(NC2=O)c3ccc(cc3[N+](=O)[O-])C#N)C(=O)N)C)ccc1	3053
+FC(F)(F)c1cc(N2C(C(C(=O)NCc3ccc(cc3)S(=O)(=O)C)=CC(C#N)=C2C)=O)ccc1	9325
+FC(F)(F)c1cc(N2CCN(CC2)CCn3c4c(cc3)C(CCC4)=O)ccc1	9326
+FC(F)(F)c1cc(N2CCNCCC2)ccc1	2
+FC(F)(F)c1cccc(c1)N2CCN(CC2)CCN3C(=Nc4ccccc4C3=O)CC	53
+FC(F)(F)c1cc(N2CCN(CC2)CCC3CCC(CC3)Nc4ncccn4)ccc1	28
+FC(F)(F)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3cccc(C(F)(F)F)c3	124
+FC(F)(F)c1cccc(NC(Nc2ccc(cc2)-c3c4c(nn(C)c4cnc3)N)=O)c1	124
+FC(F)(F)c1cccc(NC(N(C)C(C=2N(c3ccc(cc3)F)C(C=CN=2)=O)C)=O)c1	326
+FC(F)(F)c1cc(NC(=S)NN)ccc1	4757
+FC(F)(F)c1cccc(NC(Cc2nc(N)sc2)=O)c1	2427
+FC(F)(F)c1cccc(c1)NC(Cc2nc(sc2)NC)=O	2427
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(-c3cccc(N)c3)c(cc2)C	0
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(c(cc2)C)-c3cc(ccc3)Nc4ncccc4Br	201
+FC(F)(F)c1cc(ccc1)NC(c2ccc(cc2)N)=O	0
+FC(F)(F)c1cccc(N2C(=O)NC(C3=C2CCCC3=O)c4c(cc(cc4)C#N)SC)c1	3065
+FC(F)(F)c1cccc(c1)N2C3=C(C(NC2=O)c4ccc(cc4)Br)C(C(C)(C)CC3)=O	9327
+FC(F)(F)c1cccc(c1)N2C=3CCC(=O)C=3C(NC2=O)c4ccc(Br)cc4S(=O)(=O)C	4758
+FC(F)(F)c1ccc([N+](=O)[O-])c(O)c1	31
+FC(F)(F)c1cccc(c1)Oc2ccc(cc2C#N)C=O	46
+FC(F)(F)c1cccc(Oc2c3c(c(ccc3)[N+](=O)[O-])ncn2)c1	185
+FC(F)(F)c1cccc(Oc2nccc3c(c(C)ccc23)I)c1	136
+FC(F)(F)c1cc(ccc1)Oc2cccc(OCc3ccsc3)n2	136
+FC(F)(F)c1cc(ccc1)Oc2cc(Br)cc(Sc3cc(c(cc3)OCC(=O)OCC)C)c2	1336
+FC(F)(F)c1cc(S(=O)(=O)Oc2cc(C)cc(O)c2)ccc1	16
+FC(F)(F)c1cc(ccc1-c2c(C)c(C(O)=O)c[nH]2)F	1
+FC(F)(F)c1cc(ccc1-c2c(C)c(c[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)C)F	246
+FC(F)(F)c1c(ccc(C2CC2)c1)-c3cc(CCO)on3	365
+FC(F)(F)c1c(-c2cscc2C)ccc(-c3nc(no3)-c4ccccc4OC)c1	910
+FC(F)(F)c1cc(Cl)ccc1-c2cc([N+](=O)[O-])c(N)cc2Cl	134
+FC(F)(F)c1cc(ccc1Br)NC(=O)Nc2ccc(cc2)Oc3ncnc(c3)NC	40
+FC(F)(F)c1cc(ccc1C#N)-n2nnnc2CN3CCNCC3	2
+FC(F)(F)c1cc(ccc1C#N)-n2nnnc2CN3CCN(CC3)S(=O)(=O)CCC	112
+FC(F)(F)c1c(c(F)ccc1C#N)I	184
+FC(F)(F)c1cc(N(CC)C2CC(CCC2)n3c(CCc4cccnc4)cnc3)ccc1C#N	9328
+FC(F)(F)c1cc(ccc1C#N)Oc2ccc(cc2)-c3nc(cc(n3)C(N)=O)C=C	1134
+FC(F)(F)c1cc(Cl)ccc1C(CCCCl)C(N)=O	83
+FC(F)(F)c1c(CN2CCN(CC2)CC)ccc(N)c1	162
+FC(F)(F)c1c(CO)ccc(I)c1	49
+FC(F)(F)c1c(Cn2ncc3cc(ccc23)C=O)ccc(c1)F	823
+FC(F)(F)c1c(CN2CCN(CC2)C)ccc(C(=O)Nc3ccc(c(I)c3)C)c1	67
+FC(F)(F)c1c(Cl)ccc(C=2C=C(OCc3ccccc3)C(=O)N(C(C)C)C=2)c1	9329
+FC(F)(F)c1c(Cl)ccc(S(=O)(=O)Nc2cc(C)cnc2Br)c1	322
+FC(F)(F)c1c(ccc(c1)N2CCOCC2)Nc3ncnc4c3cc(cc4)I	73
+FC(F)(F)c1c(c(cc(Cl)c1)[N+](=O)[O-])NC(C)=O	31
+FC(F)(F)c1cc(Br)ccc1OCc2ccccc2	139
+FC(F)(F)c1cc(C=O)ccc1OCc2ccccc2	22
+FC(F)(F)c1c(OCC)ccc(-c2nc(c(c(N)c2)[N+](=O)[O-])C#N)c1	140
+FC(F)(F)c1cc(ccc1OCC2CC2)COc3ccc4c(c5c(C(CC(=O)O)CC5)[nH]4)c3	3
+FC(F)(F)c1c(OCC2CCN(CC2)C)ccc(NC(Nc3ccc(cc3)Oc4cc(Cl)ncn4)=O)c1	124
+FC(F)(F)c1c(OCCC2CCN(CC2)C(=O)OC(C)(C)C)ccc(-c3cc4n(nnc4c(C#N)n3)C)c1	2259
+FC(F)(F)c1cc(B(O)O)ccc1OCCCOC2CCCCO2	579
+FC(F)(F)c1cc(ccc1OCCCNC)-c2nc(C#N)c3ncn(C)c3c2	285
+FC(F)(F)c1cc(F)ccc1OCCN2C(C=3N(CC2)C(=O)C(n4cc(nc4)C)=CC=3)=O	3055
+FC(F)(F)c1cc(-c2nc(C#N)c3ncn(C)c3c2)ccc1OCCOS(=O)(=O)C	7
+FC(F)(F)c1c(ccc(c1)N)OCCOCc2ccccc2	0
+FC(F)(F)c1nccc(C2(c3cccc(O)c3)NC(=N)c4c2cc(Cl)cc4F)c1	5
+FC(F)(F)c1cc(ccn1)N2C3=C(C(c4ccc(cc4C(O)=O)C#N)N(C2=O)C)C(CC3)=O	1
+FC(F)(F)c1cc(ccn1)Oc2ccc(cc2)N	0
+FC(F)(F)c1cc(-c2occc2)cn3c(Cl)c(C(N4C(CN(C)CC4)c5ccccc5)=O)nc13	777
+FC(F)(F)c1cc(cn2c(Cl)c(C(O)=O)nc12)-c3ccco3	6
+FC(F)(F)c1cc(C#N)cnc1N2CCOCC2	1684
+FC(F)(F)c1cc(cs1)CO	9330
+FC(F)(F)c1nn(-c2cc(c(cc2)F)F)c(c1)CNC(Nc3cc(c(N4CC(C4)O)cc3)F)=O	238
+FC(F)(F)c1cc(C(=O)O)n(-c2ccc(cc2)[N+]([O-])=O)n1	1
+FC(F)(F)c1cc(n(-c2cccc(c2)Cl)n1)CNC(Nc3ccc(C(=O)N)nc3)=O	862
+FC(F)(F)c1nn(C)c(C)c1Cl	1188
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3nc(C#Cc4ccc(cc4)OC)cs3)n1)C	1800
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(C=4CC(ON=4)c5cccc(-n6ncnc6)c5)n3)n1)C	4717
+FC(F)(F)c1c(Cl)c(n(-c2cnc(S(=O)(=O)N)cc2)n1)-c3ccc(cc3)Br	697
+FC(F)(F)c1cc(n(n1)C)Oc2cccc(CNC)n2	695
+FC(F)(F)c1cc(Oc2nc(CN)ccc2)n(n1)C	421
+FC(F)(F)c1nn(CC(O)=O)c(Cl)c1	3
+FC(F)(F)c1cc(nc(-c2ccncc2)n1)Nc3c(ccc(c3)N)C	0
+FC(F)(F)c1cc(Nc2cc(NC(=O)c3ccc(cc3)CCl)ccc2C)nc(-c4ccncc4)n1	50
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(=O)C3(CCC(C3)N)C(C)C	12
+FC(F)(F)c1cc(nc(c1C(O)=O)Cl)Cl	4598
+FC(F)(F)c1cc(NCc2ncccc2)nc(c1Cl)Cl	395
+FC(F)(F)c1cc(nc(c1)C(N)=O)F	4709
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1)c(cn2)C(O)=O	1
+FC(F)(F)c1c2ccc3n(cc(C(=O)OC)n3)c2nc(O)c1	4759
+FC(F)(F)c1cc(ncc1)-n2nc(c(c2)CCCO)C(C)C	44
+FC(F)(F)c1cc(ncc1)-n2cc(CCCOc3c(cccc3OC)CC(O)=O)c(C(C)C)n2	4
+FC(F)(F)c1cc(ncc1)-n2cc(CCCOc3c(OC)cccc3CC(OC)=O)c(C(C)C)n2	126
+FC(F)(F)c1ccnc(CNC(=O)c2nnn(CC(CCc3sc(NC(=O)Cc4ccccn4)nn3)F)c2)c1	312
+FC(F)(F)c1ccnc(NC(=O)c2cc(N)c([N+]([O-])=O)cn2)c1	4760
+FC(F)(F)c1cc2nc(cn2cc1)-c3c(cccc3)S(=O)(=O)CC	440
+FC(F)(F)c1cc(ncc1)Nc2nc(Br)cc(c2)[N+]([O-])=O	834
+FC(F)(F)c1cc(ncc1)Nc2nc(-c3scnc3)cc(C)c2	2332
+FC(F)(F)c1ccnc(Nc2cc(cc(Br)n2)N)c1	0
+FC(F)(F)c1c(CO)cnc(Nc2ccc(cc2Cl)Cl)c1	4051
+FC(F)(F)c1c(c2CCC(N3C(C(=O)Nc(c1)c23)=O)P(OCC)(OCC)=O)[N+]([O-])=O	2166
+FC(F)(F)c1c(F)cc2C(CC(C)Nc2c1)=O	2931
+FC(F)(F)c1c(C)cc2c(c1)N(CCCC2O)C(=O)OC(C)(C)C	74
+FC(F)(F)c1c(cc2C(N)CCCN(C(OC(C)(C)C)=O)c2c1)C	18
+FC(F)(F)c1c(O)cc2c(c1)NCC2	5
+FC(F)(F)c1nn2c(COC)ccc(C(CC)=O)c2c1	716
+FC(F)(F)c1cc2c(cc1)N(C(CN2C(c3ccc(Cl)c(c3)Cl)c4nnn[nH]4)CC)C(=O)OCC	420
+FC(F)(F)c1c(cc2NC(=O)C(=O)N(OCc3ccccc3)c2c1)-n4c(C)ncc4	4761
+FC(F)(F)c1cc2c([nH]1)ncc(c2)CNc3cc(ncn3)C(=O)C	40
+FC(F)(F)c1ccc2nc(cc(OCc3ccc(cc3)OC)c2c1)C(=O)OCC	139
+FC(F)(F)c1cc2c(cc1)CCN(C(c3nn4cc(cnc4c3)Br)=O)C2C	147
+FC(F)(F)c1ccc2c(nc(-c3ccccc3SCC)nc2c1)N	266
+FC(F)(F)c1ccc2c(c1)n(cc2)C(C)(C)C(=O)N3CCN(c4ccc(cc4)S(=O)(=O)Nc5sccn5)C(=O)C3	348
+FC(F)(F)c1cc2c(cc1)nccc2OCCCCCOC3=COC(COS(=O)(=O)C)=CC3=O	2178
+FC(F)(F)c1cc2[nH]cc(C)c2cc1OC	4762
+FC(F)(F)c1cc2c(cc1OC)c(C)c([nH]2)C(O)=O	6
+FC(F)(F)c1nn2c(c(C=O)ccc2I)c1	200
+FC(F)(F)c1cc(Br)c2c(c1)cc(s2)C(=O)O	1
+FC(F)(F)c1cc2c(ccc(OC)n2n1)C(CC)=O	716
+FC(F)(F)c1cc2c(c(N)c1N(C)C)n(CC)c(n2)C	13
+FC(F)(F)c1ccc2oc(nc2c1)-c3ccncc3-c4cccnc4	4763
+FC(F)(F)c1cc2ncc(c(OCCCCCOC3=COC(COS(=O)(=O)C)=CC3=O)c2cc1)C(=O)OCC	2178
+FC(F)(F)c1c(C(OC)=O)n(cc1)-c2ccc(cc2)Cl	4412
+FC(F)(F)c1ccc(-c2c(OC)ccc(CC(O)=O)c2)c(CN(CC)C(NCc3ccc(cc3)Cl)=O)c1	3
+FC(F)(F)c1ccc(cn1)-c2c(cnc(c2)CN3C(=O)c4ccccc4C3=O)Cl	2181
+FC(F)(F)c1ccc(-c2c3NC(N(c4ccc(cc4)O)c3ncn2)=O)c(F)c1	5
+FC(F)(F)c1ccc(-c2cc(ccc2OC)CC(=O)N)c(CN(CC)C(C3CC3)=O)c1	527
+FC(F)(F)c1cc(CN)c(-c2c(OC)ccc(c2)C(C)C)cc1	9331
+CC(C)(C)C(Nc1c(ccc(-c2nc3n(cc(-c4ccccc4F)cc3)c2)c1)C(F)(F)F)=O	89
+FC(F)(F)c1cc(c(cc1)-c2ncnc(Nc3cc4cc[nH]c4cc3)c2N)F	193
+FC(F)(F)c1cc(c(cc1)-c2c(N)c(ncn2)Nc3ccc(cc3)OC)F	193
+FC(F)(F)c1ccc(c(c1)N)-c2cc(ncn2)Oc3c4c(ccc3)sc(NC(C)=O)n4	78
+FC(F)(F)c1ccc(-c2nnc(cc2)NC(=O)c3ccc(cc3)Oc4cc5OCCC(c5cc4Cl)C(O)=O)c(Cl)c1	3
+FC(F)(F)c1c(cc(cc1)-n2c(CO)nnn2)C#N	59
+FC(F)(F)c1ccc(-c2nnc(cc2)NC(=O)c3ccc(cc3)Oc4c(cc5C(C(OCC)=O)CCOc5c4)Cl)c(Cl)c1	519
+FC(F)(F)c1ccc(c(OC)c1)-c2nc(cc3cc(ccc23)S(=O)(=O)N(Cc4ccc(cc4)OC)c5nccs5)Cl	119
+FC(F)(F)c1cc(c(Br)cc1)Cn2nc(nn2)C	4764
+FC(F)(F)c1cc(c(cc1)Br)S	3066
+FC(F)(F)c1ccc(Br)c(S(=O)(=O)NC)c1	71
+FC(F)(F)c1ccc(-c2ccc(c(c2)F)N)cc1F	2111
+FC(F)(F)c1ccc(cn1)C=C	3067
+FC(F)(F)c1nc(c(cc1)C#N)-c2cc(C)ccc2	140
+FC(F)(F)c1ccc(cc1F)C(O)CBr	74
+FC(F)(F)c1cc(c(cc1)C(=O)Nc2ccnc(c2)OC)F	50
+FC(F)(F)c1ccc(cc1OC)C=O	760
+FC(F)(F)c1ccc(c(c1)OCC)C(N(OC)C)=O	280
+FC(F)(F)c1c2NC(N(c2c(cc1)C(CC)CC)C)=O	191
+FC(F)(F)c1cc(NCC)c(C=O)cc1	760
+FC(F)(F)c1ccc(C(O)=O)c(C2CC2)c1	1
+FC(F)(F)c1ccc(C(=O)O)c(c1)OCC	6
+FC(F)(F)c1cc(F)c(CCC(O)=O)cc1	159
+FC(F)(F)c1ccc(C=CC(=O)O)c(c1)OCC	127
+FC(F)(F)c1nc(Cl)c(C=CC(O)=O)cc1	127
+FC(F)(F)c1cc(OC)c(CC[N+]([O-])=O)cc1	364
+FC(F)(F)c1ccc(CC[N+]([O-])=O)c(C2CC2)n1	3068
+FC(F)(F)c1ccc(C=O)c(c1)Oc2cc(C#N)ccc2	46
+FC(F)(F)c1ccc(C=C[N+](=O)[O-])c(c1)OC	417
+FC(F)(F)c1ccc(C=CC(=O)OC)c(OCC)c1	530
+FC(F)(F)c1cc(Oc2cc(C#N)ccc2)c(CO)cc1	41
+FC(F)(F)c1nc(c(CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)cc1)C5CC5	14
+FC(F)(F)c1ccc(CCN)c(n1)C2CC2	157
+FC(F)(F)c1oc(CN2c3ccccc3C(O)(c4cc5c(cc4O)OCO5)C2=O)cc1	3746
+FC(F)(F)c1ccc(CN2C(=O)C(O)(c3ccccc23)c4nc5OCOc5cc4O)o1	9332
+FC(F)(F)c1oc(CN2c3ccccc3C(c4c(O)cc5OCOc5n4)C2=O)cc1	4765
+FC(F)(F)c1nc(CO)c(CN2C(=O)N3C=CC(c4ccc(cc4)Cl)=C(c5ccncc5)C3=N2)cc1	59
+FC(F)(F)c1ccc(o1)CN2C(=O)C(c3c(O)ccc(OC)n3)c4c(Br)cccc24	4765
+FC(F)(F)c1ccc(o1)CN2c3cccc(Br)c3C4(c5c(ccc(n5)OC)OC4)C2=O	9333
+FC(F)(F)c1ccc(c(-c2c(cc([nH]2)-c3ccnc(n3)N)C(=O)O)c1)Cl	6
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)C(C)=O)=O	86
+FC(F)(F)c1ccc(Cl)c(C(NC2CCC(CC2)C(C)O)=O)c1	684
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CNc3cncc(c3)C)=O	839
+FC(F)(F)c1ccc(Sc2ccc(cc2)NC(=O)C)c(c1)[N+](=O)[O-]	825
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CO)=O	21
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)C(=O)O)=O	4
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COC)=O	21
+FC(F)(F)c1ccc(Cl)c(C(NC2CCC(CC2)C(Nc3ccccc3)C)=O)c1	231
+FC(F)(F)c1ccc(Cl)c(C(NC2CCC(CC2)C=O)=O)c1	24
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COS(=O)(=O)C)=O	7
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CO)=O	88
+FC(F)(F)c1nnc(Oc2cc(ccc2C=CC(=O)OCC)OCCOC)cc1	1119
+FC(F)(F)c1ccc(Cn2ncc3c(cccc23)[N+](=O)[O-])nc1	9334
+FC(F)(F)c1ccc(nc1)Cn2c3c(cn2)c(N)ccc3	0
+FC(F)(F)c1ccc(F)c(-c2noc(c2C(O)c3cccnc3)-c4cc(Cl)ccc4)c1	9335
+FC(F)(F)c1cc(Br)c(cc1)Oc2cc(c(cc2)C)Oc3ccc(c(C)c3)CCC(=O)OCC	46
+FC(F)(F)c1cc(c(I)c(C)c1)[N+]([O-])=O	31
+FC(F)(F)c1ccc(c(O)c1)NC(Nc2ccccc2)=O	124
+FC(F)(F)c1cc(I)c(N)c(c1)C(=O)OC	235
+FC(F)(F)c1ccc(N2C(CN(Cc3c(-c4[nH]c5ccncc5n4)n[nH]c3)CC2)C)nc1	9336
+FC(F)(F)c1ccc(N2CCC(OS(=O)(=O)C)C2)nc1	7
+FC(F)(F)c1ccc(N2CCCCC2)c(NS(=O)(=O)c3ccc(cc3)C)c1	69
+FC(F)(F)c1ccc(N2CCCCC2)c(N)c1	0
+FC(F)(F)c1ccc(N2CCN(Cc3cn[nH]c3CO)CC2C)nc1	194
+FC(F)(F)c1ccc(N2C(CN(Cc3c[nH]nc3C=O)CC2)C)nc1	178
+FC(F)(F)c1ccc(nc1)N2CCN(Cc3c[nH]nc3-c4ccc5c(C(NC(=O)O5)=O)c4)CCC2	678
+FC(F)(F)c1cc(c(cc1)N2c3ccccc3CC2)N	0
+FC(F)(F)c1ccc2N=C(c3cc(ccc3)-c4c(cc(nc4)C5CC5)C)CC(=O)Nc2c1	690
+FC(F)(F)c1ccc(Nc2ccc(nc2)-c3ccc(cc3)C4CCC(CC4)CC(O)=O)cn1	4
+FC(F)(F)c1cc2nc(oc2cc1)-c3c(I)cncc3	3069
+FC(F)(F)c1cc2c(oc(-c3ccnc(Cl)c3)n2)cc1	3069
+FC(F)(F)c1cc(c(cc1)O)C(=O)C	5
+FC(F)(F)c1ccc(OCCCOc2c(cc(cc2Cl)O)I)nc1	818
+FC(F)(F)c1cc(c(OCc2c(F)cc(F)cc2)cc1)-c3c(cccc3)-c4ccc(cc4C(OC)=O)NC(=O)C	11
+FC(F)(F)c1ccc(c(-c2ccc(N)cc2Cl)c1)OCc3ccccc3	11
+FC(F)(F)c1cc(-c2ccccc2-c3ccc(NC(C)=O)cc3C(=O)OCC)c(OCc4ccccc4)cc1	11
+FC(F)(F)c1cc(c(cc1)Oc2c(OC)ccc(CC(=O)OCC)c2)CNC3C(O)Cc4c3cccc4	42
+FC(F)(F)c1ccc(Oc2cc(Sc3cc(c(cc3)OCC(=O)OCC)C)cc(c2)Br)nc1	1336
+FC(F)(F)c1cc(c(cc1)Oc2cccc(CC(O)=O)c2)CNC	42
+FC(F)(F)c1ccc(nc1)Oc2cc(cc(C)c2)CP(OCC)(OCC)=O	1060
+FC(F)(F)c1ccc(Oc2cc(Sc3ccc(OCC(=O)O)c(C)c3)cc(C#CCN4CCOCC4)c2)nc1	3
+FC(F)(F)c1ccc(c(CO)c1)Oc2cccc(c2)C(C(=O)O)C	41
+FC(F)(F)c1ccc(Oc2cc3ccc(C(O)=O)nc3cc2)cn1	1
+FC(F)(F)c1ccc(Oc2ccc(cc2)C=C)cn1	443
+FC(F)(F)c1ccc(cn1)Oc2ccc(cc2)CCOC(=N)N	4753
+FC(F)(F)c1ccc(nc1)Oc2ccc(cc2)OC(C)CO	44
+FC(F)(F)c1cc(N)c(S(=O)(=O)Nc2ccc(c3cccnc23)Cl)cc1	0
+FC(F)(F)c1cc(N)c(Sc2ccc(cc2)NC(=O)C)cc1	0
+FC(F)(F)c1ccc(N)c(O)c1	0
+FC(F)(F)c1cc(-c2c(C(N)=O)cc([nH]2)-c3ccnc(n3)N)c(Cl)cc1	393
+FC(F)(F)c1cc(-c2ccc(cc2Cl)N)c(O)cc1	16
+FC(F)(F)c1cc(c(cc1)-c2cn(C)c3cc(ccc23)S(=O)(=O)Oc4c(F)c(F)c(c(F)c4F)F)-c5n(ncc5)C	550
+FC(F)(F)c1ccc(I)c(c1)C	1252
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2ccc(c(CO)c2)Cl	98
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2cc(C=O)c(Cl)cc2	39
+FC(F)(F)c1ccc(C=C[N+]([O-])=O)c(C2CC2)n1	4766
+FC(F)(F)c1ccc(O)c(C=2CCCCC=2c3cccc(C(=O)OCC)n3)c1	16
+FC(F)(F)c1ccc(c(c1)CO)-c2cc(-c3ccc(C(=O)OC)cc3C)ccc2OC	9337
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)Nc2cc(Cl)c(OCC(OCC)OCC)cc2	33
+FC(F)(F)c1nc(c(cc1)-c2nccc(c2)CNC(=O)C3CC(F)CN3S(=O)(=O)c4ccc(cc4)F)NC	182
+FC(F)(F)c1ccc(O)c(NC(=O)c2ccncc2I)c1	67
+FC(F)(F)c1cc(c(OC)cc1)NC(Nc2ccc(cc2)Oc3ccnc(NCCCO)n3)=O	4767
+FC(F)(F)c1nc(N)c(CO)cc1	295
+FC(F)(F)c1nc(c(CNC(=O)C(c2ccc(c(C)c2)CN)C)cc1)N3CCCC3	107
+FC(F)(F)c1ccc(c(NC(=O)Nc2cccc(c2)I)c1)F	124
+FC(F)(F)c1ccc(c(NC(Nc2ccc(cc2)-c3ccc4c(n[nH]c4n3)N)=O)c1)F	124
+FC(F)(F)c1ccc(c(n1)O)C(=O)O	1
+FC(F)(F)c1cc(N)c(S(=O)(=O)Nc2c3c(c(cc2)F)cccn3)cc1	0
+FC(F)(F)c1cc(-c2c(OC3CCCC3)ncc(C(=O)O)c2)c(cc1)Cl	1
+FC(F)(F)c1cc(c(CNc2cc(c(cc2)-c3ccc(cc3C)Cl)Cl)cc1)Br	608
+FC(F)(F)c1ccc(c(c1)Br)Sc2ccc(cc2)Cl	826
+FC(F)(F)c1ccc(C=O)c(c1)OCC	760
+FC(F)(F)c1ccc(c(c1)[N+]([O-])=O)C(=O)N(C)OC	280
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCNc4c(cc(cc4)C(F)(F)F)[N+](=O)[O-]	53
+FC(F)(F)c1cc(N)c(C(N(OC)C)=O)cc1	0
+FC(F)(F)c1cc([N+]([O-])=O)c(cc1)Nc2c(cc(OC)c(CC)c2)OC	275
+FC(F)(F)c1ccc(N2CCc3c2cccc3)c([N+](=O)[O-])c1	4434
+FC(F)(F)c1ccc(c(c1F)F)-c2sc(COc3ccc4ccn(CC(O)=O)c4c3)c(C)n2	32
+FC(F)(F)c1nc(OC)c(cc1)CN2N=C3C(c4ccncc4)=C(c5ccc(cc5)Cl)C=CN3C2=O	4768
+FC(F)(F)c1ccc(O)c2c1cc(C(=O)OCC)n2C	321
+FC(F)(F)c1ccc(cc1)-c2c(nc([nH]2)NC(c3c(ncc(CNC(=O)C(C)C)c3)C(F)F)=O)C	4769
+FC(F)(F)c1ccc(cc1)-c2nc(CCOS(=O)(=O)C)oc2Br	7
+FC(F)(F)c1ccc(cc1)-c2c(Br)oc(CCO)n2	59
+FC(F)(F)c1ccc(cc1)-c2ccccc2C(=O)Nc3ccc(cc3)C=CCN	1764
+FC(F)(F)c1ccc(cc1)-c2cc(CN(C)C)ccc2C(=O)O	1
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(=O)NCCC(O)=O	4
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(O)=O	1
+FC(F)(F)c1ccc(cc1)-c2c(ccc(CC(OCC)=O)c2)I	158
+FC(F)(F)c1ccc(cc1)-c2c(cc(cc2)C(CCCCCC)Oc3c(cc(cc3)C(NCCC(O)=O)=O)F)C	3
+FC(F)(F)c1ccc(cc1)-c2ccccc2C(=O)Nc3ccc(cc3)I	50
+FC(F)(F)c1ccc(cc1)-c2c3c(sc2C)cc(OCCNC)cc3	285
+FC(F)(F)c1ccc(cc1)-c2c3c(cc(cc3)C#CCCCOS(=O)(=O)C)sn2	7
+FC(F)(F)c1ccc(cc1)-c2c3c(sc2C)cc(cc3)OCCOS(=O)(=O)C	7
+FC(F)(F)c1ccc(cc1)-c2nc(n(-c3ccc(cc3)[N+]([O-])=O)c2)Cc4ccc(cc4)Br	431
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)C(CCC)C(OCC)=O)Oc3ccc(cc3)F	472
+FC(F)(F)c1ccc(cc1)-c2cc(cc(C3CN(Cc4cc5c(cccc5)cc4)CCC3)c2)C(C(=O)OCC)CC(C)C	131
+FC(F)(F)c1ccc(cc1)-c2cc(COc3ccc(c(c3)C)CCCCn4ccnn4)cnc2	751
+FC(F)(F)c1ccc(cc1)-c2cc(F)c(c(c2)N)NC=O	0
+FC(F)(F)c1ccc(cc1)-c2cc(C(C(OCC)=O)CCC)cc(c2)O	16
+FC(F)(F)c1ccc(cc1)-c2cc(C3CCCNC3)cc(C(C(=O)OCC)CC(C)C)c2	1446
+FC(F)(F)c1ccc(cc1)-c2cc(cc(C(CC(C)C)C(O)=O)c2)C3CN(Cc4cc5c(cccc5)cc4)CCC3	3
+FC(F)(F)c1ccc(cc1)-c2cc(cc(Cl)n2)CC(=O)OC	9338
+FC(F)(F)c1ccc(cc1)-c2cc(cc(CNC(CN(S(=O)(=O)c3ccc(cc3)F)C)=O)c2)F	9
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)CN)F	107
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCC)Cc3ccc(OCC(=O)OCC)c(C)c3)c2	507
+FC(F)(F)c1ccc(cc1)-c2cncc(CO)c2	295
+FC(F)(F)c1ccc(cc1)-c2cc(n(C)n2)COc3ccc4ccn(CC(=O)O)c4c3	3
+FC(F)(F)c1ccc(cc1)-c2cc(n(n2)C)CCOc3cc4c(ccn4CC(=O)O)cc3	3
+FC(F)(F)c1ccc(cc1)-c2ncnc(Oc3c4c(ccc3)sc(N)n4)c2	4751
+FC(F)(F)c1ccc(cc1)-c2cc3c(cc2)N(CC3(C)C)S(=O)(=O)c4ccc(cc4)N(C)CC(=O)O	3
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2C)C(O)CCCCCC	74
+FC(F)(F)c1ccc(cc1)-c2ccc(C(=O)CCCCCC)cc2C	1740
+FC(F)(F)c1ccc(cc1)-c2ccc(nn2)COC	629
+FC(F)(F)c1ccc(cc1)-c2nc(c(C=O)cc2)Oc3ccccc3Cl	136
+FC(F)(F)c1ccc(cc1)-c2ccc(CO)nc2	453
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(CCO)cc2	21
+FC(F)(F)c1ccc(cc1)-c2ccc(NS(=O)(=O)C)cc2CO	98
+FC(F)(F)c1ccc(cc1)-c2ccc(N)c(CO)c2	98
+FC(F)(F)c1ccc(cc1)-c2nc(COC)c(cc2)CO	295
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)CO	217
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C=Cc3ccc(OCC(OC)=O)c(c3)C	722
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C(CCCCCC)O	758
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NC(CC(C)C)c3ncc(cc3)C(=O)O	1
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NC(c3ccc(cn3)C(NCc4[nH]nnn4)=O)CC(C)C	56
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NCc3ccc(OC)cc3-c4cnc(C(=O)NCCC(=O)O)cc4	3
+FC(F)(F)c1ccc(cc1)-c2nnc(cc2)CO	88
+FC(F)(F)c1ccc(cc1)-c2ccc(nn2)COc3cc(c(cc3)OC(C)(C)C(O)=O)C	3
+FC(F)(F)c1ccc(cc1)-c2cc3c(cc2)N(CC3(C)C)S(=O)(=O)c4ccc(cc4)N(CC(OCC)=O)C	416
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3c(C)cc(cc3C)C=CC(OCC)=O)ccc2	20
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3ccc(cc3)CC(=O)OC)ccc2	20
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCC)Cc3ccc(OCC(=O)O)c(C)c3)c2	3
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCCCC)Cc3ccc(OCC(=O)O)c(C)c3)c2	3
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)N(Cc3cc(C)c(OCC(=O)OCC)cc3)CCCC	507
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)N(Cc3ccc(OCC(=O)O)c(C)c3)CCCC	3
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCCCC)Cc3cc(C)c(OCC(=O)OCC)cc3)c2	507
+FC(F)(F)c1ccc(cc1)-c2c(C(=O)Nc3ccc(cc3)C=CCN4C(c5c(C4=O)cccc5)=O)cccc2	1046
+FC(F)(F)c1ccc(cc1)-c2ccnc(n2)C=3CCC4(CCN(C4=O)C)N=3	9339
+FC(F)(F)c1ccc(cc1)C2CCNCC2	1413
+FC(F)(F)c1ccc(cc1)-c2ccc(nc2)COc3cc(C)c(cc3)CCCCn4nncc4	412
+FC(F)(F)c1ccc(cc1)-c2cnc(N3CCN(CC3)C(OCC(=O)NC)=O)cc2	271
+FC(F)(F)c1ccc(cc1)-c2c[n+]([O-])ccc2	341
+FC(F)(F)c1ccc(cc1)-c2coc(CCO)n2	44
+FC(F)(F)c1ccc(cc1)-c2nc(oc2)CCOC(=O)C	204
+FC(F)(F)c1ccc(cc1)-c2n(C)c(c(n2)C=O)C	614
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(C)=NNC(c3sc(cc3)C(=O)OC)=O)c2O	2398
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(C)=NNC(=O)c3ccc(C(=O)O)s3)c2O	1
+FC(F)(F)c1ccc(cc1)-c2oc(-c3ccc(cc3)C#N)c(C(O)=O)n2	1
+FC(F)(F)c1ccc(cc1)-c2oc(C(CO)C)c(C(C)C)n2	44
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3c(C)cc(cc3C)C=CC(O)=O)ccc2	108
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3ccc(cc3)CC(O)=O)ccc2	4
+FC(F)(F)c1ccc(cc1)-c2sc(CNc3ccc(cc3)C4CC4C(=O)O)c(C)n2	9340
+FC(F)(F)c1ccc(cc1)-c2nc(c(CCOc3ccc(CCC(OCC)=O)c4ccccc34)cc2)C	20
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(CCO)cc2	88
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(COc3cc4n(CC(=O)O)cc(Cl)c4cc3)s2	32
+FC(F)(F)c1ccc(cc1)-c2ccc(CC(=O)O)c(C)n2	4
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(CCOC)cc2	21
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(s2)COc3cc(F)c(C=4NC(ON=4)=O)cc3	9341
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(s2)COc3cc(F)c(cc3)C(NO)=N	181
+FC(F)(F)c1ccc(cc1)-c2nc(c(s2)CO)CCCOCc3ccccc3	1503
+FC(F)(F)c1ccc(cc1)-c2ccnc(I)n2	2531
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)-c3ccc(cc3)-c4ccc(cc4)C=O)C	11
+FC(F)(F)c1ccc(cc1)-c2sc(C)c(CCOCC)n2	21
+FC(F)(F)c1ccc(cc1)-c2nc(c(C)s2)CCOc3ccc(cc3)C(NN)=O	296
+FC(F)(F)c1ccc(cc1)-c2nc(c(C(=O)O)cc2)Oc3ccccc3Cl	3070
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(s2)COc3ccc(C#N)c(F)c3	2119
+FC(F)(F)c1ccc(cc1)-c2ncc(c(C3CC3)n2)COc4ccc5c(ccn5CC(=O)OCC)c4	2171
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)CCOc3c4c(cccc4)c(C=O)cc3)C	20
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(CC#N)n2	4275
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)COc3cc4ccn(CC(=O)OCC)c4cc3	547
+FC(F)(F)c1ccc(cc1)-c2nc(CCCOS(=O)(=O)C)c(s2)COc3ccc(c(OC)c3)C=4NOC(=O)N=4	710
+FC(F)(F)c1ccc(cc1)-c2nc(c3c(cccc3)n2)C(N4CCc5c(O)c(ccc5C4)OC)=O	147
+FC(F)(F)c1ccc(cc1)-c2cc(cc(N3CCCC3)n2)CNC(=O)C(=C)N(C)S(=O)(=O)c4ccc(cc4)Cl	4712
+FC(F)(F)c1ccc(cc1)-c2cccc(C(O)CCCC)n2	1394
+FC(F)(F)c1ccc(cc1)-c2nc(C(Oc3cc(C)c(cc3)OCC(=O)OCC)CC(C)C)ccc2	9342
+FC(F)(F)c1ccc(cc1)-c2csc(n2)N(CCC(C)C)Cc3ccc(cc3)COc4ccc(cc4)CCC(OC)=O	9343
+FC(F)(F)c1ccc(cc1)-c2nc3C(CN(S(=O)(=O)c4ccc(c(C)c4)OCC(=O)O)c3cc2)C(C)C	3
+FC(F)(F)c1ccc(cc1)-c2sc3c(CCN(C3)S(=O)(=O)c4cc(CC(OC)=O)ccc4C)n2	92
+FC(F)(F)c1ccc(cc1)-c2nc3C(CN(S(=O)(=O)c4cc(c(OCC(=O)OCC)cc4)C)c3cc2)C(C)C	4770
+FC(F)(F)c1ccc(cc1)-c2ncc(C(O)=O)c(C3CC3)n2	6
+FC(F)(F)c1ccc(cc1)-c2ncnc(Oc3c4c(sc(NC(Cc5ccccc5)=O)n4)ccc3)c2	290
+FC(F)(F)c1ccc(cc1)-c2nn(c(CCO)c2)C	21
+FC(F)(F)c1ccc(cc1)-c2nn(c(c2)CO)C	194
+FC(F)(F)c1ccc(cc1)-c2nn(c(COc3cc4c(ccn4CC(=O)O)cc3)c2C)C	3
+FC(F)(F)c1ccc(cc1)-c2nn(c3c2CN(CC3)S(=O)(=O)C)CCCN4CCN(CC4)c5c(cccc5Cl)N	0
+FC(F)(F)c1ccc(cc1)-c2cc(C(=O)O)on2	6
+FC(F)(F)c1ccc(cc1)-c2c3ccc(O)cc3sn2	5
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(c(CC(O)=O)cc3)C)C)c(C(C)C)n2	4
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(CCOc3ccc4c(c3)ccn4CC(O)=O)n2	3
+FC(F)(F)c1ccc(cc1)-c2nc(c(o2)C)CCO	21
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(CCOc3ccc4n(ccc4c3)CC(=O)OCC)n2	267
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)COc3ccc4c(c3)ccn4CC(O)=O	3
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)COc3ccc4n(CC(=O)NS(=O)(=O)C)ccc4c3	344
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)-c3ccc(cc3)-c4ccc(cc4)CNO)C	1059
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)-c3ccc(cc3)-c4ccc(cc4)C=NO)C	135
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)-c3ccc(cc3)-c4ccc(cc4)CN5OC(=O)NC5=O)C	4771
+FC(F)(F)c1ccc(cc1)-c2sc(c(n2)CCO)C	665
+FC(F)(F)c1ccc(cc1)-c2sc(CCCc3cc(C)c(OCC(=O)OCC)cc3)c(C)n2	414
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(C#N)c(c3)F)c(CCCOCc4ccccc4)n2	2119
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(C(NO)=N)c(F)c3)c(CCCOCc4ccccc4)n2	181
+FC(F)(F)c1ccc(cc1)-c2nc(c(s2)COc3ccc(c(OC)c3)C=4NOC(=O)N=4)CCCO	118
+FC(F)(F)c1ccc(cc1)-c2sc(c(C)n2)CCOc3ccc4c(n(cc4CCC)CC(O)=O)c3	32
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(s2)C(CC)Oc3cc(F)c(C#N)cc3F	57
+FC(F)(F)c1ccc(cc1)-c2sc(CCC(c3ccc(c(c3)C)OCC(=O)OCC)O)c(C)n2	74
+FC(F)(F)c1ccc(cc1)-c2nc(c(C)s2)CCOc3ccc(cc3)C(OC)=O	20
+FC(F)(F)c1ccc(cc1)-c2sc3c(CCN(C3)S(=O)(=O)c4cc(ccc4C)CC(=O)O)n2	4
+FC(F)(F)c1ccc(cc1)-c2c3c(cncc3)c(nn2)N4CCNC(C4)C	519
+FC(F)(F)c1ccc(cc1)-c2ccc(C=O)c(Cl)n2	140
+FC(F)(F)c1ccc(cc1)-c2nc(ccc2)C=O	119
+FC(F)(F)c1ccc(cc1)-c2ccc(NS(=O)(=O)C)cc2C(=O)OC	11
+FC(F)(F)c1ccc(cc1)-c2cc(c(CO)s2)C	268
+FC(F)(F)c1ccc(cc1)-c2c(N)ccc(c2)CC(OCC)=O	134
+FC(F)(F)c1ccc(cc1)-c2cc(F)c(c([N+](=O)[O-])c2)NC=O	11
+FC(F)(F)c1ccc(cc1)C2=CN(C(c3c2cc(OC)cc3)=O)c4ccc(C=O)c(c4)OC	2220
+FC(F)(F)c1ccc(cc1)-c2nc(ccc2)C(=O)CCCC	119
+FC(F)(F)c1ccc(cc1)-c2cc(cc(Cl)n2)C	119
+FC(F)(F)c1ccc(cc1)-c2cccc(N)c2	134
+FC(F)(F)c1ccc(cc1)-c2ccc(c(C(OC)=O)c2)N	11
+FC(F)(F)c1ccc(cc1)-c2cc(cnc2)C(=O)OC	89
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)OCc3ccccc3)CC(=O)OCC	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C=O	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)N	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NCc3ccc(OC)cc3-c4cnc(C(=O)NCCC(OCC)=O)cc4	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C(OCC)=O	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C=C	11
+FC(F)(F)c1ccc(cc1)C=2c3cc(OC)ccc3C(N(c4ccc(cc4)OC)C=2)=O	2220
+FC(F)(F)c1ccc(cc1)-c2ccc(C=O)nc2	89
+FC(F)(F)c1ccc(cc1)-c2n3cc(Br)ccc3nc2	4772
+FC(F)(F)c1ccc(cc1)C#Cc2ccc(cc2)OC3OCCCC3	455
+FC(F)(F)c1ccc(cc1)-c2ccncc2	498
+FC(F)(F)c1cc(c(cc1)C)[N+]([O-])=O	31
+FC(F)(F)c1ccc(cc1)C#Cc2n(C)ncc2	2349
+FC(F)(F)c1ccc(cc1)C#CCCCOc2ccc3ccn(CC(O)=O)c3c2	3
+FC(F)(F)c1ccc(cc1)CCc2n(ncc2)C	801
+FC(F)(F)c1ccc(cc1)C(=O)C=O	9344
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(=O)C)c2O	4268
+FC(F)(F)c1ccc(cc1)-c2coc(n2)C(CO)Oc3c(c(c(F)cc3)C(=O)N)F	4773
+FC(F)(F)c1ccc(cc1)C(NCCc2cc(ccc2)F)=O	93
+FC(F)(F)c1ccc(cc1)C(=O)NCCc2c(OC)cccc2	93
+FC(F)(F)c1ccc(cc1)C(=O)Nc2ccc(cc2)Cc3c4c(n(c3C)CC(OCC)=O)cccc4	50
+FC(F)(F)c1ccc(cc1)C(=O)NCCc2ccccc2	93
+FC(F)(F)c1ccc(cc1)C(=O)NCCCOc2c(Cl)cc(cc2Cl)O	16
+FC(F)(F)c1ccc(cc1)C=2c3cccc(OC)c3CCN=2	1753
+FC(F)(F)c1ccc(cc1)C=2c3c(CCN=2)cccc3	1753
+FC(F)(F)c1ccc(cc1)C(=O)Nc2ccc(cc2)Cc3c(n(c4ccccc34)CC(=O)O)C	3
+FC(F)(F)c1ccc(cc1)-c2nc(CCCOCc3ccccc3)c(C(OCC)=O)s2	2242
+FC(F)(F)c1ccc(cc1)C(O)C(C(=O)OCC)Cc2ccc(cc2)F	2261
+FC(F)(F)c1ccc(cc1)C2OC(NC2Cc3ccc(cc3)F)=O	3064
+FC(F)(F)c1ccc(cc1)-c2cn3cc(-c4ccccc4)ccc3n2	440
+FC(F)(F)c1ccc(cc1)C(C(C(=O)OCC)Cc2ccc(cc2)F)=O	9345
+FC(F)(F)c1ccc(cc1)C(=O)NCCCOc2c(Cl)cc(cc2Cl)OCc3ccccc3	20
+FC(F)(F)c1ccc(cc1)C2=NCCc3cc(ccc23)F	1753
+FC(F)(F)c1ccc(cc1)C(=O)C2C(N(C(C)=O)c3c2cc(cc3)[N+](=O)[O-])=O	3071
+FC(F)(F)c1ccc(cc1)C(C(Cc2ccc(cc2)F)C(O)=O)O	3
+FC(F)(F)c1ccc(cc1)C(O)C(Cc2ccc(cc2)F)NC(c3c4c(cccc4)c(F)cc3)=O	14
+FC(F)(F)c1ccc(cc1)C(c2c(c3C(CC(C)(C)Oc3cc2C(C)C)=O)C4=CCCCC4)=O	335
+FC(F)(F)c1ccc(cc1)C(=O)c2c(C(C)C)cc3c(c2C4=CCCCC4)C(O)CC(C)(C)O3	74
+FC(F)(F)c1ccc(cc1)C23CN(CCCN4C=C(C(=O)NC4=O)c5c(F)nc(C)cc5)CC2C3	61
+FC(F)(F)c1ccc(cc1)C=2c3c(C(N(c4ccc(c(c4)OC)CO)C=2)=O)ccc(OC)c3	41
+FC(F)(F)c1ccc(cc1)C2c3c(cc(cc3)F)CCN2	2262
+FC(F)(F)c1ccc(cc1)-c2c(O)nccc2	4774
+FC(F)(F)c1ccc(cc1)C2CCN(CC2)c3nc4ccc(C(O)=O)cc4nc3-c5ccc(cc5)F	1
+FC(F)(F)c1ccc(cc1)C2CCN(CC2)c3c(-c4ccc(cc4)F)nc5cc(ccc5n3)C(=O)OC	1322
+FC(F)(F)c1ccc(cc1)C2CC(CN(C(Oc3ccc(cc3)[N+]([O-])=O)=O)C2)NC(c4ccccc4)=O	66
+FC(F)(F)c1ccc(cc1)C2c3ccccc3CCN2C(=O)Nc4ccccc4	326
+FC(F)(F)c1ccc(cc1)C2c3c(cccc3)CCN2C(=O)Oc4ccccc4	66
+FC(F)(F)c1ccc(cc1)C(O)C(Cc2ccc(cc2)F)N	886
+FC(F)(F)c1ccc(cc1)C2c3ccc(F)cc3CCN2C(=O)Nc4ccc(cc4)F	326
+FC(F)(F)c1ccc(cc1)C2NCCc3c2cccc3	2262
+FC(F)(F)c1ccc(cc1)C2c3cccc(c3CCN2)OC	2262
+FC(F)(F)c1ccc(cc1)CCCC2CCN(CC2)C(=O)OC(C)(C)C	374
+FC(F)(F)c1ccc(cc1)CC[N+](=O)[O-]	364
+FC(F)(F)c1ccc(cc1)C=Cc2occ(C(O)=O)n2	6
+FC(F)(F)c1ccc(cc1)C=Cc2nc(C(=O)Nc3ccc(cc3)CCCCn4ccnn4)co2	3862
+FC(F)(F)c1ccc(cc1)C=Cc2nc(COc3ccc(cc3)CCCCn4c(ncc4)CC(O)CO)co2	547
+FC(F)(F)c1ccc(cc1)C=Cc2nc(COc3ccc(cc3)CCCn4ccnn4)co2	547
+FC(F)(F)c1ccc(cc1)C(=NO)Cl	761
+FC(F)(F)c1ccc(cc1)C	3072
+FC(F)(F)c1ccc(cc1)C=NO	135
+FC(F)(F)c1ccc(cc1)C=C[N+](=O)[O-]	417
+FC(F)(F)c1ccc(cc1)CNc2[nH]c(Nc3cc(Cl)c(c(Cl)c3)C#N)nn2	4775
+FC(F)(F)c1ccc(cc1)C=C(C#N)c2ccc(cc2)OCCCCCCCCO	9346
+FC(F)(F)c1ccc(cc1)CN2CCC3(CC2)CN(CC3)C(c4ccc(cc4)-c5oc6c(C(C)C)cc(C#N)cc6n5)=O	131
+FC(F)(F)c1ccc(cc1)CON=C(CC)c2ccc(cc2)OCC(OCC)=O	2236
+FC(F)(F)c1ccc(cc1)CN(C2CCCCC2C(N)=O)S(=O)(=O)c3ccc(cc3)Cl	692
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(C)c(OCC(OCC)=O)cc3	2236
+FC(F)(F)c1ccc(cc1)Cn2c3ccccc3c4CCN(Cc24)C(=O)OCc5ccccc5	190
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(nc2)OCC(OC)=O)C	2236
+FC(F)(F)c1ccc(cc1)CC(=O)C(OCC)OCC	9347
+FC(F)(F)c1ccc(cc1)CC(C(c2ccccc2)O)C(O)=O	3
+FC(F)(F)c1ccc(cc1)CC2NC(OC2c3ccccc3)=O	3064
+FC(F)(F)c1ccc(cc1)CC(NC(c2c3c(cccc3)c(F)cc2)=O)C(O)c4ccccc4	14
+FC(F)(F)c1ccc(cc1)CCNc2cc(F)c(cc2)OC	4228
+FC(F)(F)c1ccc(cc1)CC(N)C(O)c2ccccc2	886
+FC(F)(F)c1ccc(cc1)CCCO	21
+FC(F)(F)c1ccc(cc1)CCC(NCCc2nc(c(OC)cc2)OC)=O	9
+FC(F)(F)c1ccc(cc1)CCC=2c3c(CCN=2)nc(OC)c(c3)OC	9348
+FC(F)(F)c1ccc(cc1)CCC=O	578
+FC(F)(F)c1ccc(cc1)CCC2CCC(CC2)C3CCC(CC3)CCC=O	9349
+FC(F)(F)c1ccc(cc1)CCC2CCC(CC2)C3CCC(CC3)CCCO	237
+FC(F)(F)c1ccc(cc1)CCC2CCC(CC2)C3CCC(CC3)CCCF	559
+FC(F)(F)c1ccc(cc1)CCC2CN(C=3c4cc(C)sc4Nc5ccccc5N=3)CCN2	3073
+FC(F)(F)c1ccc(cc1)CCC2NCCc3nc(c(OC)cc23)OC	9350
+FC(F)(F)c1ccc(cc1)CCC2OCC(CO2)CCC	3682
+FC(F)(F)c1ccc(cc1)CCC2NCCn3cnc(C)c23	9351
+FC(F)(F)c1ccc(cc1)CCCC2CCNCC2	2
+FC(F)(F)c1ccc(cc1)CCCC2CCN(CC2)c3ccc(cc3)OC4OCCCC4	560
+FC(F)(F)c1ccc(cc1)CCC=O	24
+FC(F)(F)c1ccc2c(C(=NCC2)C)c1	1120
+FC(F)(F)c1ccc(cc1)CCNc2cccc(c2)OC(C)(C)C(=O)O	3
+FC(F)(F)c1ccc(cc1)CCN	157
+FC(F)(F)c1ccc(cc1)CCc2c(C#N)cnn2C	4198
+FC(F)(F)c1ccc(cc1)CCc2n(ncc2-n3nccc3)C	9352
+FC(F)(F)c1ccc(cc1)CCc2c(cnn2C)I	1160
+FC(F)(F)c1ccc(cc1)CCc2c(-n3ncc(I)c3)cnn2C	1160
+FC(F)(F)c1ccc(cc1)CNC(C)=O	9
+FC(F)(F)c1ccc(cc1)CNC(c2cc(C(=O)C)ccc2OC)=O	14
+FC(F)(F)c1ccc(cc1)CNC(=O)c2cc3c(cc(cc3)OC)nc2-c4ccsc4	56
+FC(F)(F)c1ccc(cc1)CNC(c2c(OC)ccc(CC#N)c2)=O	14
+FC(F)(F)c1ccc(cc1)CNC(=O)N2CC(c3cc(ccc3)OC(C)(C)C(OCc4ccccc4)=O)CCC2	1132
+FC(F)(F)c1ccc(cc1)CN(C(=O)COc2ccc(cc2)CCSc3ccccc3C(=O)O)CC	1
+FC(F)(F)c1ccc(cc1)CN2n3cc(-c4ccccc4)cc3C(=C(C2=O)C(=O)NCC(=O)O)O	9353
+FC(F)(F)c1ccc(cc1)CN2C(=O)C(C(=O)OC)=C(O)c3cc(cn23)-c4ccccc4	550
+FC(F)(F)c1ccc(cc1)CN2C(=O)C(CC2)N3CCC(C(F)(F)C3)c4ccc(cc4)O	2150
+FC(F)(F)c1ccc(cc1)CN2CCC3(CC3)CC2(C)C(NC(c4ccc(cc4)C(O)=O)C)=O	1
+FC(F)(F)c1ccc(cc1)CNC(=O)Nc2cccc3NCC(O)Cc23	406
+FC(F)(F)c1ccc(cc1)Cn2cc(-c3sc(C(NCc4ccccc4)=O)c(n3)C)nn2	3236
+FC(F)(F)c1ccc(cc1)CNC(=O)N2CC(c3cc(OC(C)(C)C(=O)O)ccc3)CCC2	210
+FC(F)(F)c1ccc(cc1)CN2CCC(Br)C2=O	1553
+FC(F)(F)c1ccc(cc1)CNCC	15
+FC(F)(F)c1ccc(cc1)CNC(c2cc(CC(N)=O)ccc2OC)=O	527
+FC(F)(F)c1ccc(cc1)CN(C(=O)COc2ccc(cc2)CCSc3c(cccc3)C(OC)=O)CC	10
+FC(F)(F)c1ccc(cc1)CNc2nc(c(N)c(C)n2)N	193
+FC(F)(F)c1ccc(cc1)COc2ccc(cc2C=CCCC(C(OCC)=O)Oc3ccccc3OC)OC	657
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(OCC(=O)N)nc2)C	83
+FC(F)(F)c1ccc(cc1)CON=C(CC)c2ccc(cc2)OCC(=O)O	3
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(C)c(OCC(=O)O)cc3	3
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(OCC(NO)=O)cc3)C	1376
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(OCC(NCC(O)=O)=O)cc3)C	3
+FC(F)(F)c1ccc(cc1)CON=C(c2cnc(OCC#N)cc2)C	143
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCc3nnc(C)o3)C	1037
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCC(=O)NNC(=O)C)C	1038
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCC(=O)O)C	3
+FC(F)(F)c1ccc(cc1)CON=C(C)c2cnc(cc2)OCC(=O)O	4
+FC(F)(F)c1ccc(cc1)COc2c(cc(cc2)OC)C=CCCC(C(=O)O)Oc3c(cccc3)OC	3
+FC(F)(F)c1ccc(cc1)COc2cc(CC(O)=O)ccc2	3
+FC(F)(F)c1ccc(cc1)Oc2cc(C)c(c(C)c2)C(C)=O	415
+FC(F)(F)c1ccc(cc1)Cn2cc(cn2)Nc3cc(F)c(cc3)S(=O)(=O)Nc4nccs4	9354
+FC(F)(F)c1ccc(cc1)Cn2cc(N)cn2	209
+FC(F)(F)c1ccc(cc1)Cn2cc(nn2)-c3sc(C(O)=O)c(C)n3	6
+FC(F)(F)c1ccc(cc1)Cn2cc(-c3sc(C(NCc4cnccc4)=O)c(n3)C)nn2	454
+FC(F)(F)c1ccc(cc1)Sc2nc3c(ncnc3N)[nH]2	4666
+FC(F)(F)c1ccc(cc1)-c2nc(C(=O)OC)c(o2)-c3ccc(cc3)C#N	4776
+FC(F)(F)c1ccc(N)c(c1)I	184
+FC(F)(F)c1ccc(cc1)NS(=O)(=O)c2cccc(C(=O)OCC)c2	69
+FC(F)(F)c1ccc(cc1)Nc2nc(cc(-n3c4c(ccc(F)c4)nc3C)n2)Cl	1359
+FC(F)(F)c1ccc(cc1)NC=O	753
+FC(F)(F)c1ccc(cc1)Nc2ncnc3c2nc(Nc4c(cccc4Cl)Cl)[nH]3	1185
+FC(F)(F)c1ccc(cc1)Nc2cc(C)cc(n2)Cl	1759
+FC(F)(F)c1ccc(cc1)Nc2nc(N)nc(c2)-c3cc(Br)ccc3C	73
+FC(F)(F)c1ccc(cc1)Nc2c3c(ncn2)n(-c4ccccc4Cl)cn3	1185
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(CN)c(C)c2)C	107
+FC(F)(F)c1ccc(cc1)N2C(=O)NC3(CCCCC3)C2	9355
+FC(F)(F)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)COCC(O)=O	4
+FC(F)(F)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3cc(ccc3)CBr	92
+FC(F)(F)c1ccc(cc1)NC(N2CCCC2c3c(Cc4ccc(cc4)Cl)c(C)no3)=O	326
+FC(F)(F)c1ccc(cc1)N2C(C3(CCCCC3)NC2=O)=O	9356
+FC(F)(F)c1ccc(cc1)NC(CO)C(C)C	21
+FC(F)(F)c1ccc(cc1)NC(COCCc2ccccc2)C(C)C	176
+FC(F)(F)c1ccc(cc1)NC2c3c(cc(NC(=O)CCC4CCCC4)c(c3)N)CC2	0
+FC(F)(F)c1ccc(cc1)Nc2c3ncn(C)c3nc(Cl)n2	1545
+FC(F)(F)c1ccc(cc1)NS(=O)(=O)c2cc(C(O)=O)ccc2	6
+FC(F)(F)c1ccc(cc1)Nc2nc(nc3c2ncn3C)NN	1657
+FC(F)(F)c1ccc(cc1)Nc2ncnc(n2)C=Cc3cc4cnn(c4cc3)C5OCCCC5	914
+FC(F)(F)c1ccc(cc1)Nc2nc(CCc3cc4c([nH]nc4)cc3)ncn2	804
+FC(F)(F)c1ccc(cc1)Nc2nc(cc(N)n2)-n3c4c(ccc(F)c4)nc3C	266
+FC(F)(F)c1ccc(cc1)Nc2nc(CCc3ccc4c(cnn4C5OCCCC5)c3)ncn2	9357
+FC(F)(F)c1ccc(cc1)OCc2n(nc(C)c2I)C	20
+FC(F)(F)c1ccc(cc1)OCCOc2ccc(cc2)C(c3nocc3)CC(=O)N4C(OCC4Cc5ccccc5)=O	8
+FC(F)(F)c1ccc(cc1)OCCOc2ccc(cc2)C(CC(O)=O)c3ccon3	2263
+FC(F)(F)c1ccc(cc1)Oc2cc(C)c(c(C)c2)-c3nc(sc3)N	354
+FC(F)(F)c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)n3cc(c4c3ccc(-c5ccccc5)c4)CCC(=O)OC	367
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2ccsc2C(OC)=O	3074
+FC(F)(F)c1ccc(cc1)S(=O)(=O)n2nc(nc2N)Nc3cc(Cl)c(c(c3)Cl)C#N	9358
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(C2CCC(CC2)OCCCC(=O)C)C	591
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(C2CCC(CC2)OCCCC(N(C)OC)=O)C	9359
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCNCC2	2
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3ncc(-c4ncccc4)cc3	147
+FC(F)(F)c1ccc(cc1)Sc2nc3c(ncnc3n2CCCC)N	4777
+FC(F)(F)c1ccc(cc1F)C(CNC)O	132
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c3c(C(=O)N(C=C3)C(COS(=O)(=O)C)C)ccc2C	7
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c3C=CN(C(C)CNC)C(=O)c3ccc2C	1569
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c(C)ccc3C(=O)N(C=Cc23)C(CO)C	59
+FC(F)(F)c1c(OC)cc(cc1)C=C2NC(=O)CN(C(=O)C)C2=O	9360
+FC(F)(F)c1ccc(cc1OC)C=C2N(C(CN(C(C)=O)C2=O)=O)C(=O)C	9361
+FC(F)(F)c1c(cc(-c2cn3cc(ccc3n2)Br)cc1)N	0
+FC(F)(F)c1c(cc(cc1)-c2cn3c(ccc(Cl)n3)n2)N	0
+FC(F)(F)c1c(cc(C(OCC)=O)cc1)N	0
+FC(F)(F)c1ccc(cn1)-c2cc(ncc2Cl)CN	45
+FC(F)(F)c1ncc(cc1)-c2cc(nc(n2)-n3cnc(c3)I)C	937
+FC(F)(F)c1ncc(-c2nc(nc(C)c2)-c3cc(ccc3)Br)cc1	345
+FC(F)(F)c1ccc(-c2c(cnc(CO)c2)Cl)cn1	398
+FC(F)(F)c1ncc(-n2c(c(Cl)nc2C)-c3c(F)cc(cc3F)OC)cc1	4778
+FC(F)(F)c1ccc(cn1)-n2c(c(Cl)nc2)-c3c(cc(cc3F)OC)F	844
+FC(F)(F)c1ccc(-c2n(C)c3c(n2)c(Cl)ncn3)cn1	9362
+FC(F)(F)c1ncc(cc1)CC(=O)NNc2ncc(c(-c3ccc(cc3)Cl)c2)Br	355
+FC(F)(F)c1ccc(cn1)Nc2ncc(-c3ccc(cc3)C4CCN(CC4)C(=O)C(=O)O)cc2	1581
+FC(F)(F)c1ccc(cn1)Nc2ncc(-c3ccc(cc3)C4CCNCC4)cc2	2
+FC(F)(F)c1ccc(cn1)Nc2ncc(-c3ccc(cc3)C4CCN(CC4)C(C(=O)OCC)=O)cc2	3957
+FC(F)(F)c1ccc(Oc2ccc(cc2)C=O)cn1	551
+FC(F)(F)c1ccc(cn1)Oc2ccc(cc2)CCOc3ncc(c(n3)O)Cc4cnc(nc4)OC	3063
+FC(F)(F)c1ccc(nc1)-c2ccc(cc2)C(CCCC)Oc3ccc(cc3)C(=O)NCCC(O)=O	4
+FC(F)(F)c1cnc(-n2cc(CCC(=O)OCC)c(CCC)n2)cc1	4779
+FC(F)(F)c1ccc(nc1)Oc2cc(cc(C=C3CCC(CC3)N)c2)C	316
+FC(F)(F)c1ccc(nc1)Oc2cc(C=C3CCC(CC3)=O)cc(c2)C	97
+FC(F)(F)c1ccc(nc1)Oc2cc(C=C3CCC4(OCCO4)CC3)cc(c2)C	846
+FC(F)(F)c1ccc(nc1)Oc2ccc(cc2)OC(C)C=NO	410
+FC(F)(F)c1ccc(nc1)Oc2ccc(cc2)OC(C)C=O	24
+FC(F)(F)c1ccc(nc1-c2ccc(cc2)OC)NCCCOc3ccc4C(CC(O)=O)CCc4c3	3
+FC(F)(F)c1oc(CN2C(=O)C3(c4nc(ccc4OC3)OC)c5ccccc25)cc1	562
+FC(F)(F)c1ccc(o1)CN2C(=O)C3(COc4ccc(nc34)OC)c5c2cccc5-c6ccoc6	1628
+FC(F)(F)c1ccc2CCC(N3CCN(CC3C)C4(CCN(CC4)C(OC(C)(C)C)=O)C)c2c1	2784
+FC(F)(F)c1ccc2CCC(N3C(CN(C4(CCNCC4)C)CC3)C)c2c1	2
+FC(F)(F)c1ccc2c(N(CCC2)Cc3cccc(Br)c3)c1	507
+FC(F)(F)c1ccc2c(C=CC(=O)N2CC(=O)O)c1	4
+FC(F)(F)c1cc2c(cc1)CCNC2C	1218
+FC(F)(F)c1ccc2c(C(N)CC(CC)N2C(=O)C3CCC(CC3)CC(=O)OCC)c1	102
+FC(F)(F)c1cc2C=CC(=O)N(CC(Nc3scc(c3-c4nnc[nH]4)Cl)=O)c2cc1	1477
+FC(F)(F)c1ccc2c(N(CCC2)Cc3cc(-c4ccc(cc4)CO)ccc3)c1	11
+FC(F)(F)c1ccc2nc(C#N)cc(c2c1)OCc3ccc(cc3)OC	331
+FC(F)(F)c1ccc2N(C(=O)N(c2c1)Cc3ccc(c(OC)c3)OC)C4CCC(CC4)O	1939
+FC(F)(F)c1ccc2c(c(cnc2c1)CO)O	351
+FC(F)(F)c1cc2c(cc1)nc(C#N)cc2O	686
+FC(F)(F)c1ccc2c(c(cc(C(=O)N)n2)OCc3ccc(cc3)OC)c1	314
+FC(F)(F)c1cc(-c2c(ncc(c2O)C(=O)NCc3ccc(S(=O)(=O)C)cn3)C)ccc1	56
+FC(F)(F)c1cc(-c2c(c(cnc2C)C(NCc3ccc(cc3)S(=O)(=O)C)=O)O)ccc1	56
+FC(F)(F)c1cccc(c1)-c2c(c(cn3nc(N)nc23)Br)C	9363
+FC(F)(F)c1cccc(c1)-c2cccc3c2OC(CN)C3	18
+FC(F)(F)c1cccc(c1)-c2cc(C)c(C(=O)O)c(OC)n2	1
+FC(F)(F)c1cccc(-c2csc(Cc3ccc(cc3)C(=O)O)n2)c1F	1
+FC(F)(F)c1cc(ccc1)-c2nc(C)c(COC)cc2	382
+FC(F)(F)c1cc(ccc1)-c2nnc3c(C(O)CC(C3)C)c2	652
+FC(F)(F)c1cccc(-c2sc3nccc(C(Nc4sccn4)=O)c3n2)c1	2916
+FC(F)(F)c1cccc(N2C(C)=C(NC2=O)c3n(ncc3)-c4ccc(cc4)C#N)c1	9364
+FC(F)(F)c1cccc(-n2cc(nc2)NC(c3cc(ccc3N)N4CCCCC4)=O)c1	0
+FC(F)(F)c1cccc(c1)-c2nc(c([N+](=O)[O-])c(N)c2)C#N	140
+FC(F)(F)c1cccc(c1)-c2cccc(C(C(=O)OCC)C)n2	140
+FC(F)(F)c1cc(ccc1)Oc2cc(Br)cc(Br)c2	472
+FC(F)(F)c1cccc(-c2c(ncc(c2C)Br)N)c1	796
+FC(F)(F)c1cccc(-c2c(C)ncc(C(=O)O)c2O)c1	89
+FC(F)(F)c1cc(-c2nc3c(cc2)N4CC(CC4)N3)ccc1	140
+FC(F)(F)c1cc(-c2cc(C(=O)C)ccc2OCC(OC)=O)ccc1	11
+FC(F)(F)c1cccc(-c2nc(ccc2OC)C)c1	119
+FC(F)(F)c1cc(-c2c(C)cc3cc(ccc3c2OCOC)OC)ccc1	11
+FC(F)(F)c1cc(-c2ccc(cc2)C3C(C3)NCC(N)=O)ccc1	11
+FC(F)(F)c1cc(ccc1)-c2c3c(CC(COS(=O)(=O)c4ccc(cc4)C)O3)ccc2	11
+FC(F)(F)c1cccc(c1)-c2cc(c3c(n2)c4c([nH]3)cc(OCc5ccccc5)cc4)C(OC)=O	9365
+FC(F)(F)c1cc(-c2nc(c(CN)c(-c3c(cc(Cl)cc3)Cl)n2)N)ccc1	4780
+FC(F)(F)c1cccc(c1)-c2ccnc3n2ncc3	2214
+FC(F)(F)c1cc(ccc1)-c2ncc(C)o2	2996
+FC(F)(F)c1cccc(c1)C(Nc2cc(ccc2)C(=O)NN)=O	296
+FC(F)(F)c1cccc(C(=O)Nc2ccc(c(-c3cnc(c(c3)N4CCOCC4)OCCO)c2)C)c1	168
+FC(F)(F)c1c(N=[N+]=[N-])c(ccc1)C(=O)O	615
+FC(F)(F)c1c(N)c(ccc1)C(=O)Nc2ccccc2Cl	67
+FC(F)(F)c1cc(ccc1)C(=O)CC#N	3075
+FC(F)(F)c1cccc(c1F)-c2nc(sc2)N	2579
+FC(F)(F)c1cccc(C(=O)Nc2cnc(C)c(-c3cccc(c3)N)c2)c1	0
+FC(F)(F)c1cccc(c1)C(Nc2cc([N+]([O-])=O)c(Oc3ccc(cc3)O)cc2)=O	46
+FC(F)(F)c1cccc(C(Nc2ccc(OCC(C)(C)N)c(-c3c(cnn3C)Cl)c2)=O)c1	157
+FC(F)(F)c1cccc(C(Nc2ccc(c(CO)c2)Cl)=O)c1	49
+FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(Cl)c(C=O)c2	39
+FC(F)(F)c1cc(C(C(c2cc(F)ncc2)N(C(=O)C)C3CCCC3)O)ccc1	58
+FC(F)(F)c1cccc2c(n[nH]c12)-c3ccc(cc3)OC	1216
+FC(F)(F)c1cccc(C2N(c3ccc(cc3)Oc4ccc(cc4)Cl)C(C(CCCO)C2)=O)c1	347
+FC(F)(F)c1cc(C2CC(C(N2c3ccc(cc3)Oc4ccc(cc4)Cl)=O)CCCOS(=O)(=O)C)ccc1	7
+FC(F)(F)c1cccc(C2=CC(c3cccc(c3O2)C(Nc4cnccc4)=O)=O)c1	487
+FC(F)(F)c1cc(C=CC(c2c(c(ccc2)C(O)=O)O)=O)ccc1	307
+FC(F)(F)c1cccc(-c2c(O)nc3ccc(cc3c2O)Br)c1	4781
+FC(F)(F)c1cc(ccc1)CC(CN2C(=O)c3ccccc3C2=O)NC(c4sc(C)c(c4)-c5ccnn5C)=O	227
+FC(F)(F)c1cc(ccc1)CC(CN2C(=O)c3ccccc3C2=O)NC(=O)c4sc(c(c4)-c5ccnn5C)Cl	227
+FC(F)(F)c1cccc(CNCC(COc2ccc3C(=O)C(c4ccc(cc4)OC)=COc3c2)O)c1	122
+FC(F)(F)c1cccc(CNC(=O)c2cc(ncc2)-c3c(N)ccc(c3)OC(C)C)c1	0
+FC(F)(F)c1cccc(CNC(c2cc(-c3c(ccc(c3)N(CCC)CCC)N)ncc2)=O)c1	0
+FC(F)(F)c1cc(ccc1)CNCC(COc2ccc3C(=O)C(=COc3c2)c4ccc(cc4)O)O	5
+FC(F)(F)c1cccc(Cc2c(nn3c(N)cc(nc23)Cl)C)c1C	1994
+FC(F)(F)c1cccc(Cc2ccc(cc2)C(=O)O)c1	1
+FC(F)(F)c1cc(Cn2c(c(c3c2ccc(-c4ccc(cc4)OC)c3)-c5cccc(C(C)=O)c5)C(=O)O)ccc1	6
+FC(F)(F)c1cccc(F)c1CN2C(N(CC(N)c3ccccc3)C(=O)C(=C2C)Br)=O	12
+FC(F)(F)c1c(c(F)ccc1)CN2C(=O)N(CC(c3ccccc3)N)C(=O)C(c4c(cccc4)Cl)=C2C	1100
+FC(F)(F)c1cc(N(C(c2sc3nc(ccc3c2N)-c4sccc4)=O)C)ccc1	3455
+FC(F)(F)c1cccc(N2C(c3c(non3)NCCOS(=O)(=O)C)=NOC2=O)c1	7
+FC(F)(F)c1cccc(N2C(C)=CN=C(C(=O)NC)C2=O)c1	9366
+FC(F)(F)c1cccc(N2C(=O)N(C)C(c3ccc(C#N)cc3C(O)=O)C=4C(NCCC2=4)=O)c1	1
+FC(F)(F)c1cccc(N2C(=O)ON=C2c3nonc3NCCO)c1	88
+FC(F)(F)c1cccc(N2C(=NOC2=O)c3nonc3NCCN=[N+]=[N-])c1	133
+FC(F)(F)c1cccc(c1)N2N=C(C(C(=C2)OC)=O)C(C=CN(C)C)=O	3076
+FC(F)(F)c1cccc(N2N=C(C(=O)O)C(C(OC)=C2)=O)c1	4
+FC(F)(F)c1cccc(c1)N2C=C(OC)C(C(=N2)C(N(C)OC)=O)=O	2264
+FC(F)(F)c1cccc(N2N=C(N)C(C(=C2)OC)=O)c1	9367
+FC(F)(F)c1cccc(NC(N2CCCCc3cc(O)ccc23)=O)c1	5
+FC(F)(F)c1cccc(NC(=O)N2CCCCc3cc(Oc4cc(ncn4)N=[N+]=[N-])ccc23)c1	3533
+FC(F)(F)c1cccc(NC(=O)N2CCCCc3cc(ccc23)Oc4ncnc(N)c4)c1	1341
+FC(F)(F)c1cccc(N2C(=O)NC(C=3C(=O)CCCC2=3)c4ccc(cc4)C#N)c1	9368
+FC(F)(F)c1cccc(NC(=O)c2cc(-c3ccc(cc3)Nc4ncncc4I)c(C)cc2)c1	73
+FC(F)(F)c1cccc(NC(=O)c2ccc(C)c(-c3ccc(cc3)N)c2)c1	0
+FC(F)(F)c1cccc(NC(=O)N2CCCCc3cc(Oc4cc(Cl)ncn4)ccc23)c1	185
+FC(F)(F)c1cccc(NC(=O)c2ccc(C)c(-c3ccc(cc3)[N+](=O)[O-])c2)c1	1762
+FC(F)(F)c1cccc(c1)N2C(NC(c3c(cc(cc3)C#N)SC)C4=C2CCC4=O)=O	3065
+FC(F)(F)c1cccc(N2C=C(C(=O)C(C(=O)OC)=N2)OC)c1	1181
+FC(F)(F)c1cccc(Nc2cc(nnc2C(=O)N)Cl)n1	314
+FC(F)(F)c1cccc(Nc2cc(NCCN)nnc2C(=O)N)n1	232
+FC(F)(F)c1cccc(OCC(CNc2c([N+]([O-])=O)cc(c(C)c2)[N+]([O-])=O)=NOC)c1	60
+FC(F)(F)c1cc(OCC(Cn2nnc3c2cc(C)c([N+]([O-])=O)c3)=NOC)ccc1	2183
+FC(F)(F)c1cccc(c1)OCC(F)CCC2C(CC3OC(CC23)=O)O	682
+FC(F)(F)c1cccc(OCC(=NOC)CN)c1	18
+FC(F)(F)c1cccc(OCC(=NOC)CNc2c(cc(c(C)c2)[N+]([O-])=O)N)c1	0
+FC(F)(F)c1cccc(Oc2ncnc3c2cccc3N)c1	13
+FC(F)(F)c1cccc(Oc2cc(-c3c(N)ccc(N4CCCCC4)c3)ncn2)c1	0
+FC(F)(F)c1cc(ccc1)S(=O)(=O)Oc2cc(cc(c2)C)OCc3ccccc3	681
+FC(F)(F)c1cccc(S(=O)(=O)N2CCC(CC2)ON)c1	670
+FC(F)(F)c1cccc(-c2c3nc(NC(C)=O)nn3cc(Br)c2C)c1	784
+FC(F)(F)c1cccc(c1)-c2ccc(C(NC(C(NCCNc3ccc(cc3)OC(F)F)=O)CC4CCCCC4)=O)o2	9369
+FC(F)(F)c1cccc(c1)-c2c3OC(Cc3ccc2)CNC(OCc4ccccc4)=O	101
+FC(F)(F)c1cc(-c2cnnc(NN)n2)ccc1	9370
+FC(F)(F)c1cccc(-c2nc(c(N)c(c2)N)C#N)c1	13
+FC(F)(F)c1cccc(c1)-c2sc3c(n2)c(ccn3)CO	59
+FC(F)(F)c1cccc(c1)-c2nc3c(ccnc3s2)C=O	200
+FC(F)(F)c1cccc(C(=O)C=CN(C)C)c1	277
+FC(F)(F)c1cccc(C(Nc2cc(c(C)nc2)-c3cccc(c3)[N+]([O-])=O)=O)c1	796
+FC(F)(F)c1cc(C2(SCCCS2)C(O)c3cc(c(cc3)OC(F)F)C)ccc1	3077
+FC(F)(F)c1cccc(CC(=O)Nc2ccc(Br)cc2C(=O)OC)c1	26
+FC(F)(F)c1cc(ccc1)CC(C(OCC)=O)C(c2ccc(cc2)F)=O	9371
+FC(F)(F)c1cccc(c1)CNc2cc(ncn2)-c3c(ccc(c3)N4CCCCC4)N	0
+FC(F)(F)c1cc(ccc1)N2C(C)=C(C=C(C2=O)C(NCc3ccc(cc3)S(=O)(=O)C)=O)I	9372
+FC(F)(F)c1cccc(c1)N2C=3CCC(C)(C)C(C=3C(c4ccc(cc4)C#N)NC2=O)=O	160
+FC(F)(F)c1cccc(c1)N2C=3CCC(=O)C=3C(c4ccc(cc4S(=O)(=O)C)C#N)NC2=O	160
+FC(F)(F)c1cccc(N2C=C(C(=O)C(=N2)C(=O)C)OC)c1	1183
+FC(F)(F)c1cc(N2C=C(OC)C(=O)C(=N2)c3n(ncc3)-c4ccccc4)ccc1	4525
+FC(F)(F)c1cccc(c1)Nc2nc(ccn2)C3=CC(=C=[N-])[N+](C=C3)=O	9373
+FC(F)(F)c1cccc(c1)Nc2nccc(-c3ccnc(C#N)c3)n2	4685
+FC(F)(F)c1cccc(c1)OCC(CCC2C(OC3OCCCC3)CC4OC(CC24)O)F	2697
+FC(F)(F)c1cccc(OCC(CCC2C(OC(c3ccccc3)=O)CC4C2CC(O4)=O)F)c1	2124
+FC(F)(F)c1cccc(c1)OCC(CCC2C(CC3OC(CC23)=O)OC4OCCCC4)F	1646
+FC(F)(F)c1cccc(c1)Oc2cc(ccc2CO)Cl	98
+FC(F)(F)c1cccc(Oc2ccc(CO)cc2C#N)c1	41
+FC(F)(F)c1cccc(c1C(n2c3cccc(F)c3c(N4CC(C(CC4)C(O)=O)O)n2)=O)Cl	3
+FC(F)(F)c1cccc(Cc2c(N3C(=O)c4c(C3=O)cccc4)nn5C(=O)CC(=O)Nc25)c1C	1765
+FC(F)(F)c1c(-c2[nH]c3cc(C(=O)OC)ccc3n2)c(Cl)ccc1	622
+FC(F)(F)c1c(c(Cl)ccc1)COS(=O)(=O)C	7
+FC(F)(F)c1c(COS(=O)(=O)c2ccc(cc2)C)c(ccc1)Cl	36
+FC(F)(F)c1c(c(-c2nc(sc2)NC(=O)c3ccc(cc3)Nc4ccccn4)ccc1)F	548
+FC(F)(F)c1c(c(-c2nc(sc2)NC(=O)c3ccc(cc3)Nc4cnccn4)ccc1)F	548
+FC(F)(F)c1cccc(C(CCl)=O)c1F	9374
+FC(F)(F)c1cccc(-c2csc(n2)Cc3ccc(cc3)C(OC)=O)c1F	963
+FC(F)(F)c1cccc2C(N(Cc12)C(C(Nc3ncc(nc3)Br)=O)CC4CCCC4)=O	1018
+CC(C)(C)OC(NC(CC)C(=O)Nc1c(C(=O)CC(=O)Nc2sccn2)cccc1C(F)(F)F)=O	9375
+FC(F)(F)c1cccc2C(N(Cc12)C(C(Nc3ncc(C(CO)O)nc3)=O)CC4CCCC4)=O	265
+FC(F)(F)c1c2CCNc2ccc1	931
+FC(F)(F)c1cccc2c(-c3cc(Oc4cc(S(=O)(=O)CCCNS(=O)(=O)C)ccc4)ccc3F)ncnc12	111
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(c4)S(=O)(=O)CCCOS(=O)(=O)C)ccc3F)ncnc12	7
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(S(=O)(=O)CCCC#N)c4)ccc3Cl)nc(C)nc12	300
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(c4)S(=O)(=O)CCCC(N)=O)ccc3Cl)nc(C)nc12	527
+FC(F)(F)c1cccc2c(-c3cc(Oc4cc(ccc4)S(=O)(=O)CCCOS(=O)(=O)C)ccc3Cl)nc(C)nc12	7
+FC(F)(F)c1cccc2c(-c3cc(Oc4cc(S(=O)(=O)CCCN)ccc4)ccc3F)ncnc12	4782
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(S(=O)(=O)CCCC#N)c4)ccc3F)ncnc12	300
+FC(F)(F)c1cccc2c1sc(C(O)=O)c2C3CCN(CC3)C(=O)C	1
+FC(F)(F)c1c2nn(c(-c3ccc(cc3)OC)c2ccc1)Cc4ccccc4	4783
+FC(F)(F)c1cccc2c(-c3cc(Oc4cc(ccc4)S(=O)(=O)CCCO)ccc3F)ncnc12	304
+FC(F)(F)c1cccc2C(N(C(CC(C)C)C(Nc3nccnc3)=O)Cc12)=O	1018
+FC(F)(F)c1cccc2c1CN(C(C(=O)Nc3ncc(C(CO)O)nc3)CCSC)C2=O	265
+FC(F)(F)c1cccc2c1CN(C(CC(C)C)C(=O)O)C2=O	4
+FC(F)(F)c1cccc2C(=O)N(C(C(=O)O)CC3CCCC3)Cc12	4
+FC(F)(F)c1cccc2c1CN(C(CCSC)C(O)=O)C2=O	4
+FC(F)(F)c1cccc2c(c(c(nc12)C(CC)N)C(Nc3nccs3)=O)O	12
+FC(F)(F)c1cccc2c1nccc2OCCCCCOC3=COC(COS(=O)(=O)C)=CC3=O	2178
+FC(F)(F)c1c2c(c(C3CCN(CC3)C(=O)C)cs2)ccc1	1539
+FC(F)(F)c1c(-c2c(C)c(C(O)=O)[nH]c2C)cccc1	6
+FC(F)(F)c1ccccc1-c2nc3c(cccc3C)cc2CNc4ncnc5nc[nH]c45	516
+FC(F)(F)c1c(cccc1)-c2cc(c(N)c(Cl)c2)[N+]([O-])=O	196
+FC(F)(F)c1c(-c2c(C=O)cc3c(c(C)ccc3)n2)cccc1	691
+FC(F)(F)c1ccccc1-c2ccc(c([N+]([O-])=O)c2)N	11
+FC(F)(F)c1ccccc1-c2c(O)cc(cc2)C(OC)=O	11
+FC(F)(F)c1ccccc1-c2ccc(cc2)CN3CC(OCC3)C(C)C	11
+FC(F)(F)c1c(cccc1)C(N2CCNCC2)=O	2
+FC(F)(F)c1c(C(=O)N2CCN(CC2)C(=O)CNC(c3cnc(-c4ccccc4)cc3)=O)cccc1	4784
+FC(F)(F)c1ccccc1C(Nc2cc(c3c([nH]cn3)c2)C(=O)Nc4c(c(Cl)ccc4)C)=O	246
+FC(F)(F)c1ccccc1C(Nc2cc3c(c(c2)C(O)=O)[nH]cn3)=O	1
+FC(F)(F)c1c(C(N2CCN(CC2)Cc3ccccc3)=O)cccc1	30
+FC(F)(F)c1ccccc1C2=CCN(CC2)Cc3ccccc3	252
+FC(F)(F)c1c(C2CCN(CC2)Cc3ccccc3)cccc1	191
+FC(F)(F)c1ccccc1C2CCN(CC2)C(=O)c3c4CN(C(=O)C)Cc4[nH]n3	58
+FC(F)(F)c1ccccc1C2CCN(CC2)C(=O)c3c4c([nH]n3)CNC4	2
+FC(F)(F)c1ccccc1CCC(C)=O	1847
+FC(F)(F)c1c(CC(N)CN2C(c3c(cccc3)C2=O)=O)cccc1	9376
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(=O)c4cc(n(C)c4Cl)-c5c(cnn5C)Cl	697
+FC(F)(F)c1ccccc1CC(NC(=O)c2cc(cs2)-c3n(nc(Cl)c3CC)C)CN	45
+FC(F)(F)c1c(CCC(C)(C#N)N)cccc1	661
+FC(F)(F)c1c(cccc1)CCC2CN(Cc3ccccc3)CCN2	25
+FC(F)(F)c1c(CCC2CN(CCN2)C=3c4cc(C)sc4Nc5ccccc5N=3)cccc1	3073
+FC(F)(F)c1ccccc1CCN2CCC(CC2)(CN)c3ccccc3	51
+FC(F)(F)c1ccccc1CNC(C2CCC(CC2)Nc3nc(nc(n3)NC)-c4ccccc4)=O	9
+FC(F)(F)c1ccccc1COC2CN(C2)c3sc(C(=O)O)cn3	6
+FC(F)(F)c1ccccc1COC2CN(C2)c3sc(cn3)C(=O)N	1169
+FC(F)(F)c1ccccc1C#Cc2ccc(cc2)N3C(=O)NC(=N3)c4c(cccc4F)Cl	9377
+FC(F)(F)c1c(cccc1)Sc2ccc(cc2)Br	826
+FC(F)(F)c1ccccc1CCC2N(Cc3ccccc3)CCN(Cc4ccccc4)C2	9378
+FC(F)(F)c1ccccc1OC2CCN(c3ccc(nn3)C(=O)NN)C2	1726
+FC(F)(F)c1ccccc1OC2CN(c3ccc(nn3)C(OC)=O)CC2	212
+FC(F)(F)c1ccccc1S(=O)(=O)N	336
+FC(F)(F)c1c(S(=O)(=O)Nc2c(nccn2)Cl)cccc1	9379
+FC(F)(F)c1c2n(ccc1)c(-c3cccc(O)c3)c(C)n2	9380
+FC(F)(F)c1c(-c2cc3c(cc2)c(nc(C)n3)O)nccc1	1677
+FC(F)(F)c1cccnc1-c2cc([N+]([O-])=O)c(C#N)cc2	180
+FC(F)(F)c1cccnc1-c2ccc(C#N)c(c2)N	0
+FC(F)(F)c1cccnc1-c2ccc(c(N)c2)C(N)=O	2265
+FC(F)(F)c1cccnc1-c2cc(NC(C)=O)c(cc2)C(=O)N	26
+FC(F)(F)c1c(N2CCc3c(O)ncnc3CC2)nccc1	361
+FC(F)(F)c1cccnc1N2CCN(CC2)c3cc(nc(COC)n3)Nc4ccc(F)c(c4)F	73
+FC(F)(F)c1cccnc1N2CCN(CC2)c3cc(-c4cc(Cl)c(F)cc4)nc(n3)Cl	54
+FC(F)(F)c1cccnc1N2CCN(CC2)c3cc(Cl)nc(COC)n3	54
+FC(F)(F)c1ccn(n1)-c2nc3c(c(c2)O)ccc(c3Cl)OC	686
+FC(F)(F)c1nn(-c2nc(Cl)c(cc2)C)cc1	174
+FC(F)(F)c1nn(cc1)-c2ccc(C)c[n+]2[O-]	341
+FC(F)(F)c1ccn2cc(CC3CCCCN3C(c4nc(C)sc4-c5ccc(cc5)F)=O)nc2c1	837
+FC(F)(F)c1ccnc(CO)c1	59
+FC(F)(F)c1ccnc(NC(=O)c2cc(N)c(N)cn2)c1	13
+FC(F)(F)c1ccnc(NC(Nc2ccc(cc2)-c3c4n(ncnc4N)cc3C=C)=O)c1	9381
+FC(F)(F)c1ccnc(NC(Nc2ccc(cc2)-c3c(CC)cn4c3c(ncn4)N)=O)c1	1661
+FC(F)(F)c1ccnc(Nc2cc(cc(C)c2)-c3sc(nc3)C4(CCC5(OCCO5)CC4)C(N)=O)n1	527
+FC(F)(F)c1ccnc(Nc2cc(-c3cnc(cc3)CCC(=O)OCC)cc(C)c2)n1	1253
+FC(F)(F)c1ccnc(Nc2cc(cc(C)c2)-c3sc(nc3)C4(CCC(CC4)=O)C(N)=O)n1	97
+FC(F)(F)c1nc(Oc2ccccc2)ncc1	893
+FC(F)(F)c1ccnc(n1)Nc2cc(cc(-c3scnc3)c2)C4CC4	365
+FC(F)(F)c1ccncc1C(OS(=O)(=O)C)C(C)C	7
+FC(F)(F)c1ccnnc1N	1969
+FC(F)(F)c1ccnn2cc(Cc3ccccc3)nc12	1823
+FC(F)(F)c1cn(CC2CCNCC2)c3c1c(ncn3)Cl	2
+FC(F)(F)c1cn(CC2CCN(CC2)S(=O)(=O)C)c3c1c(ncn3)Cl	112
+FC(F)(F)c1cn(nn1)-c2ccc(C)cc2-c3cc(O)ncn3	104
+FC(F)(F)c1nc2CN(C(c3c(ccc(Cc4c5c(c(O)nn4)cccc5)c3)F)=O)CCn2c1	30
+FC(F)(F)c1cn2c(c(-c3ccc(cc3)S(=O)(=O)C)c(-c4cc(F)ccc4)n2)cc1	4785
+FC(F)(F)c1ccc2c(C(C=CN(C)C)=O)c(nn2c1)-c3ccc(cc3)F	277
+FC(F)(F)c1cn2c(c(C(O)=O)c(n2)-c3cc(F)ccc3)cc1	1
+FC(F)(F)c1cnc(-c2c(c(O)c(cc2F)Cl)N)c(Cl)c1	0
+FC(F)(F)c1ccc(nc1)-c2ccc(cc2)C(CCCC)Oc3ccc(cc3)C(NCCC(=O)OC)=O	20
+FC(F)(F)c1cc(Cl)c(nc1)-c2cc([N+](=O)[O-])c(cc2)F	31
+FC(F)(F)c1cnc(-n2nc(CCC)c(c2)CCCO)cc1	44
+FC(F)(F)c1cnc(cc1)-n2nc(C(C)C)c(CCCO)c2	44
+FC(F)(F)c1cnc(-n2cc(CCCOc3c(cccc3CC(O)=O)C#N)c(CCC)n2)cc1	4
+FC(F)(F)c1ccc(nc1)-n2nc(CCC)c(C=O)c2	576
+FC(F)(F)c1cnc(-n2cc(CO)c(CCC)n2)cc1	536
+FC(F)(F)c1cnc(-n2cc(CCCOc3c(cccc3C#N)CC(OC)=O)c(CCC)n2)cc1	20
+FC(F)(F)c1cnc(-n2nc(c(c2)CCCOc3n(ncc3CC)CC(O)=O)C(C)C)cc1	3
+FC(F)(F)c1c(nc(nc1)Nc2cnc(OC)cc2)CCc3ccccc3C4(CC4)C(N)=O	801
+FC(F)(F)c1cnc(cc1)Nc2nccc(c2)C(=O)Nc3cc(cnc3)Br	487
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(C=C(C)C(O)=O)ccc(c2)OC(C)C	108
+FC(F)(F)c1cnc(Oc2cc(OCC(N(CC)CC)=O)ccc2CCC(=O)O)c(Cl)c1	3
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(ccc(OCCOC)c2)CCCO	44
+FC(F)(F)c1cnc(c(Cl)c1)Oc2cc(OCCOC)ccc2CCC(=O)O	3
+FC(F)(F)c1cc2c(nc1)sc(-c3c(cncc3)F)n2	9382
+FC(F)(F)c1cc(c(nc1)-c2cc(c(Cl)cc2)O)Cl	5
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(ccc(OC(C)C)c2)C=C(C)C(NS(=O)(=O)NC3CCC(CC3)C)=O	9383
+FC(F)(F)c1cnc(Oc2c(ccc(c2)O)CCC(=O)OCC)c(Cl)c1	241
+FC(F)(F)c1cnc(Oc2c(ccc(OCCOC)c2)CCCOC(=O)NS(=O)(=O)NCCc3ccccn3)c(Cl)c1	2438
+FC(F)(F)c1cnc(Oc2c(ccc(OCCOC)c2)CCCOC(=O)NS(=O)(=O)c3ccc(cc3)Cl)c(Cl)c1	9384
+FC(F)(F)c1cc(c(nc1)Oc2c(CCC(=O)NS(=O)(=O)CCCOC)ccc(OCCOC)c2)Cl	344
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)N	0
+FC(F)(F)c1cc(N)c(C#N)nc1	577
+FC(F)(F)c1cc(c(C(=O)N)nc1)N	13
+FC(F)(F)c1cnc(Cl)c(C#N)c1	1014
+FC(F)(F)c1cc(F)c(N2CCNCC2)nc1	2
+FC(F)(F)c1cc(c(O)nc1)N	13
+FC(F)(F)c1cnc(cc1)-n2cc(c(C(C)C)n2)C=O	576
+FC(F)(F)c1cnc(cc1)-n2cc(c(C(C)C)n2)CO	536
+FC(F)(F)c1cnc(-n2cc(CCC(OCC)=O)c(n2)C(C)C)cc1	4779
+FC(F)(F)c1ccc(Cn2nc(I)c3c2cccc3[N+](=O)[O-])nc1	4631
+FC(F)(F)c1ccc(C#N)nc1	577
+FC(F)(F)c1cnc(cc1)NC	70
+FC(F)(F)c1c[n+]([O-])c(Cl)cc1	341
+FC(F)(F)c1ccc(Oc2cc(cc(C)c2)CO)nc1	136
+FC(F)(F)c1ccc(nc1)NCC2C(CCCN2C(c3c(-n4nccn4)ccc(F)c3C)=O)C	9385
+FC(F)(F)c1ccc(N)[n+]([O-])c1	341
+FC(F)(F)c1cnc(cc1)OCCCON2C(c3c(C2=O)cccc3)=O	1395
+FC(F)(F)c1ccc(OCCCOc2c(I)cc(OC(=O)c3ccccc3)cc2Cl)nc1	126
+FC(F)(F)c1cnc(cc1)OCCCON	670
+FC(F)(F)c1cnc(nc1)NCC2C(CCCN2C(c3cc(F)ccc3-n4nccn4)=O)C	96
+FC(F)(F)c1cnc(nc1)NCC2N(CCCC2C)C(c3c(-n4nccn4)c(ccc3)F)=O	96
+FC(F)(F)c1cnc(nc1CCc2ccc(F)cc2CC(=O)N)Nc3ccc(cc3)C4CCN(CC4)C(=O)OC(C)(C)C	801
+FC(F)(F)c1cnc(nc1CCc2ccc(F)cc2CC(=O)N)Nc3ccc(cc3)C4CCNCC4	2
+FC(F)(F)c1cnc(SC)nc1C#Cc2ccccc2CC(OC)=O	4786
+FC(F)(F)C(N=S(C1CC1)(c2ccc(cc2)Nc3ncc(C(F)(F)F)c(OC(C(C)O)C)n3)=O)=O	118
+FC(F)(F)c1c(Cl)c2c([nH]cc2N)nc1	13
+FC(F)(F)c1csc(-c2c(-c3cc(cnc3)C(NN)=O)cnc(NC(=O)NCC)c2)n1	1872
+FC(F)(F)c1csc(-c2c(-c3cc4c(N(CCN(C)C)C=C(C(O)=O)C4=O)nc3)cnc(c2)NC(=O)NCC)n1	108
+FC(F)(F)c1csc(-c2cc(NC(=O)NCC)ncc2-c3ccc4c(c3)N(CC)C=C(C4=O)C(=O)O)n1	108
+FC(F)(F)c1csc2c1c(ncn2)O	1868
+FC(F)(F)c1c(C(=O)O)c2ccc(OC)cc2n1C	6
+FC(F)(F)c1n(nc(-c2c(cc(c(c2)N(C)CCC)N)F)c1Cl)C	0
+FC(F)(F)c1c(c(-c2cc(F)c([N+]([O-])=O)cc2F)nn1C)Cl	1188
+FC(F)(F)c1n(C)nc(c1)-c2c(cc(c(F)c2)[N+](=O)[O-])F	31
+FC(F)(F)c1n(nc(c1Cl)-c2c(cc(O)c(c2)[N+](=O)[O-])F)C	5
+FC(F)(F)c1n(nc(c1Cl)-c2c(cc3OCC(=O)Nc3c2)F)C	1290
+FC(F)(F)c1n(nc(-c2cc(OC)c(cc2F)N)c1Cl)C	0
+FC(F)(F)c1c(cnn1-c2nc(-c3ccccc3OCc4ccc(cc4)OCCOC)ccc2)C(=O)O	6
+FC(F)(F)c1n2CCC(Cc2nn1)c3n4ccnc(c4c(Br)n3)N	522
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1)c(C(N4CCN(CC4)C(c5ccccc5)CC)=O)cn2	2778
+FC(F)(F)c1n2c(c(C(N3CCNCC3C)=O)cn2)nc(-c4ccc(cc4)OC)c1C	2
+FC(F)(F)C1=CC(=S)Nc2c(C(=O)OC)cnn12	9386
+FC(F)(F)c1nnc2CC(CCn12)c3n4ccnc(Cl)c4cn3	856
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)O)CC2	9387
+FC(F)(F)c1nnc2n1nc(N3CCNCC3)cc2	2
+FC(F)(F)c1cc(nc2n1ncc2-c3nc(no3)-c4ccnc(c4)N)-c5cc(c(C(F)(F)F)cc5)C	9388
+FC(F)(F)c1nn(CC(Nc2c(c3c(CCCC3)s2)C(=O)N)=O)cc1C=O	1460
+FC(F)(F)c1nn(cc1C=O)Cc2nc3sc(C)cc3c(O)n2	3568
+FC(F)(F)c1nn(CC(=O)Nc2sc3CCCCc3c2C(NCCO)=O)cc1C=O	1460
+FC(F)(F)c1nn(CC(=O)Nc2c(c3c(CCCC3)s2)C(=O)N)cc1CCO	1460
+FC(F)(F)c1nc(-c2cccc(-c3cc(c(c(c3)[N+]([O-])=O)O)O)c2)ccc1	5
+FC(F)(F)c1nc(no1)-c2cc(C(NCC3(CCOCC3)c4cc(-c5ccccc5)cs4)=O)ccc2	14
+FC(F)(F)c1nc(no1)-c2cccc(C(=O)N(C)CC3(CCOCC3)c4scc(-c5ccccc5)n4)c2	30
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(C)c3ccc(CN)c(Cl)c3	12
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(C)c3ccc(c(Cl)c3)CNS(=O)(=O)C	111
+FC(F)(F)c1nc(-c2ccc(c(Cl)c2)C)n(-c3ccc(cc3)S(=O)(=O)N)c1	9389
+FC(F)(F)c1nc(-c2ccc(cc2)CC(O)=O)no1	4
+FC(F)(F)c1nc(cs1)C(CNC(C)Cc2ccc(cc2)OCC(=O)OC)O	9390
+FC(F)(F)c1n2CCN(C(c3cc(Cc4c5c(c(O)nn4)cccc5)ccc3F)=O)Cc2c(C(=O)N6CCCC6)n1	30
+FC(F)(F)c1nc(ccc1)C2(CCNCC2)O	2
+FC(F)(F)c1ccc(c(Cl)n1)C=CC(NCc2cc(F)c(cc2)NS(=O)(=O)C)=O	711
+FC(F)(F)c1ccc(c(Cl)n1)C=CC(=O)NCc2cc(c(NS(=O)(=O)C)c(c2)C#C)F	711
+FC(F)(F)c1nc2c(cccc2)c(NN)n1	1021
+FC(F)(F)c1nc(Nc2ncnc(-c3ccc(cc3OC)F)c2)cc(c1)CSC	346
+FC(F)(F)c1c(sc(n1)Cl)C(=O)O	6
+FC(F)(F)c1ccc(c(F)n1)-c2nccc(CNC(=O)C3CC(F)CN3S(=O)(=O)c4ccc(cc4)F)c2	4787
+FC(F)(F)c1c(Br)nc(c(N)n1)-c2oc(nn2)Cc3ccccc3	9391
+FC(F)(F)c1ccc(C=O)c(N)n1	200
+FC(F)(F)c1nc(N2CC3C(C(CC3)OS(=O)(=O)c4ccc(cc4)Br)C2)ccc1	1226
+FC(F)(F)c1cccc(N2CCN(CC2)CCCCN3C(=O)CCC3)n1	28
+FC(F)(F)c1nc(NC(Nc2c3c(ncc2)ccc(C=4CCNCC=4)c3)=O)ccc1	366
+FC(F)(F)c1nc(O)c(CN2N=C3N(C=CC(c4ccc(cc4)Cl)=C3c5ccncc5)C2=O)cc1	104
+FC(F)(F)c1c(N)ccc(OCc2c(nnn2-c3c(cccc3Cl)Cl)C(C)C)n1	13
+FC(F)(F)c1nc(Oc2ccc(cc2)S(=O)(=O)Cl)ncc1	243
+FC(F)(F)c1nc(c(CCNC(=O)c2ccc(cc2)Oc3cc4c(cc3Cl)C(C(=O)O)CCO4)cc1)C5CC5	3
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(c3ccc(c(c3)F)CNS(=O)(=O)C)C	9
+FC(F)(F)c1nc(c(CNC(=O)C(C)c2cc(c(CNS(=O)(=O)C)cc2)C)cc1)N3CCCC3	111
+FC(F)(F)c1nc(c(CNC(=O)C(c2cnc(cc2)C(=O)N)C)cc1)N3CCC(CC3)C	862
+FC(F)(F)c1nc(c(CN)cc1)-c2cccc(C)c2	388
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2cc(C(OC)=O)c(cc2)Cl	246
+FC(F)(F)c1nc(c(cc1)CNC(Nc2cc3CCCc3nc2)=O)N4CCC(CC4)C	238
+FC(F)(F)c1nc(Cl)cc(CSC)c1	639
+FC(F)(F)c1nc(-c2cc(-c3cc(c(O)c([N+](=O)[O-])c3)OC)ccc2)ccc1	31
+FC(F)(F)c1nc(ccc1)-c2cccc(-c3ccc(O)c(OC)c3)c2	16
+FC(F)(F)c1nc(N2CC3CCC(O)C3C2)ccc1	323
+FC(F)(F)c1nc(C2(CCN(CC2)C(Nc3nc4c(ncnc4OC)s3)=O)O)ccc1	437
+FC(F)(F)c1cc(nc(-c2ccncc2)n1)Nc3c(C)ccc([N+](=O)[O-])c3	73
+FC(F)(F)c1nc(Nc2cc(cc(c2)-c3sc(nc3)C4(CCC4)O)-c5[nH]nnn5)ncc1	1174
+FC(F)(F)c1c(C(=O)O)cnc(n1)N	6
+FC(F)(F)c1c(cnc(n1)Nc2cccc(Cl)c2)C(=O)O	426
+FC(F)(F)c1nc(sc1)C(N)C	102
+FC(F)(F)c1c(sc(C)n1)C(=O)O	6
+FC(F)(F)c1n(c2c(c(C(O)=O)cc(N3CCOCC3)c2)n1)Cc4c(c(Cl)ccc4)Cl	1
+FC(F)(F)c1ccc2cc(c(nc2n1)C)C(=O)O	1
+FC(F)(F)c1c(nc2c(cc(OC)cc2)n1)-c3c(Cl)cc(C(=O)O)cc3	2235
+FC(F)(F)c1nc(c2c(n1)cccc2)NN=C(c3ccc(cc3)C)C	1713
+FC(F)(F)c1c(C)n2c(ccc(CO)n2)n1	453
+FC(F)(F)c1cn2c(CNCC2)n1	4441
+FC(F)(F)c1ncc(-c2ncc(c(n2)CCOC)CO)cc1	897
+FC(F)(F)c1ncc(cc1)-c2cc(C#N)ncn2	2266
+FC(F)(F)c1ncc(CN2N=C3N(C2=O)C=CC(c4ccc(cc4)C)=C3Cl)cc1	4768
+FC(F)(F)c1ccc(cn1)CN2C(=O)N3C(C(c4ccc(cc4)Cl)=C(c5ccc(cc5)C)C=C3)=N2	9392
+FC(F)(F)c1ccc(Oc2cc3c(cc2)nc(cc3)C(OC)=O)cn1	9393
+FC(F)(F)c1ncc(cc1)-c2ncnc(CN)c2	421
+FC(F)(F)c1ncc(cc1)-c2nc(c(COc3ccc(OC(C)(C)C(O)=O)c(C)c3)cn2)CCOC	3
+FC(F)(F)c1ncc(cc1)-c2cc(ncn2)CNC(CN(S(=O)(=O)c3ccc(cc3)F)C(C)C)=O	9
+FC(F)(F)c1ccc(cn1)-c2nc3n(ccc3c(O)n2)C	4521
+FC(F)(F)c1ncc(cc1)Cc2n3c(nn2)cc(c(Br)c3)-c4ccc(cc4)Cl	757
+FC(F)(F)c1ccc(Cc2nnc3cc(-c4ccc(cc4)Cl)c(-c5ccc(cc5Cl)Cl)cn23)cn1	89
+FC(F)(F)c1ccc(NC(=O)c2nn(c3ccc(Br)cc23)C4CCCCO4)cn1	510
+FC(F)(F)c1ccc(Nc2ccc(nc2)-c3ccc(cc3)C4CCC(CC4)CC(=O)OC)cn1	3405
+FC(F)(F)c1ncc(cc1)NC(=O)c2ccc(cc2)Oc3c(cc4C(CCOc4c3)C(=O)OC)C#N	487
+FC(F)(F)c1ncc(cc1)NC(=O)c2ccc(cc2)Oc3cc4c(C(CCO4)C(=O)O)cc3C#N	4
+FC(F)(F)c1c(C)cc(cn1)C(OC)=O	4788
+FC(F)(F)c1c(cc(cn1)CO)C	382
+FC(F)(F)c1ncc(cn1)Oc2ccc(cc2)C=O	3029
+FC(F)(F)c1ncc(cn1)Oc2c(F)cc(cc2F)CCOc3nc(c(Cc4cncnc4)cn3)O	3063
+FC(F)(F)c1ncc(cn1)Oc2ccc(cc2)CCO	1709
+FC(F)(F)c1ncc(cn1)Oc2ccc(cc2)C=C	2864
+FC(F)(F)c1cnc(cn1)NCC2N(CC3CC3C2)C(c4nc(ccc4-n5cccn5)C)=O	147
+FC(F)(F)c1nccc(c1)-c2nccnc2Oc3ccc(cc3)C(=O)c4[nH]c5c(n4)cccc5	1940
+FC(F)(F)c1nccc(c1C(=O)O)N	1
+FC(F)(F)c1nccc(n1)N2CCC(CC2)CN	51
+FC(F)(F)c1ncc(c(O)c1)I	625
+FC(F)(F)c1cc(ccn1)Oc2ccc(cc2)[N+]([O-])=O	46
+FC(F)(F)c1nccc(N2C(=O)NC(c3ccc(C#N)cc3Br)C=4C(=O)CCC2=4)c1	3065
+FC(F)(F)c1nccc(N)c1C(NC(C)Cc2ccc(c(c2)F)F)=O	56
+FC(F)(F)c1c(c(N)ccn1)C(NC(Cc2ccccc2)C)=O	56
+FC(F)(F)c1nccc(N2CCC(CC2)C#N)n1	143
+FC(F)(F)c1ncccc1-c2oc(nn2)-c3cc(c(O)c([N+]([O-])=O)c3)OC	5
+FC(F)(F)c1ncccc1-c2oc(-c3cc(c(O)c(O)c3)[N+](=O)[O-])nn2	5
+FC(F)(F)c1cc(ncn1)Nc2nc(-c3scnc3)cc(C)c2	834
+FC(F)(F)c1nn(c(c1)C(Nc2ccc(cc2)Br)=O)-c3ccccc3Cl	772
+FC(F)(F)c1nn(-c2ncccc2Cl)c(C3=Nc4c(C(O3)=O)cc5nsnc5c4Cl)c1	2241
+FC(F)(F)c1nn(c(c1)-c2ccc(cc2)-c3cocc3)-c4ccc(S(=O)(=O)C)c(F)c4	1628
+FC(F)(F)c1nn(-c2ccc(cc2)CC(=O)O)c3c1CCCC3	3
+FC(F)(F)c1nn(c(c1)CNC(=O)Nc2cc(F)c(CO)cc2)-c3c(OC)c(Cl)ccc3	238
+FC(F)(F)c1cc(n(n1)-c2c(cccn2)Cl)C(Nc3c(C(=O)NC)cc4c(nsn4)c3Cl)=O	1302
+FC(F)(F)c1cc(-c2c(cc(NC(=O)c3c(cccc3F)F)cc2)F)n(C)n1	50
+FC(F)(F)c1c(C(Nc2c(-c3cc(F)ccc3F)cccc2)=O)cn(n1)C	9394
+FC(F)(F)c1c(CCOS(=O)(=O)C)cn(n1)CC(=O)Nc2c(c3c(CCCC3)s2)C(=O)N	7
+FC(F)(F)c1nn(CC(N2CCC(CC2)C(N)=S)=O)c(C)c1	2670
+FC(F)(F)c1nn(CC(=O)Nc2c(nn3CCCC(c23)=O)C(=O)N)c4CCCCc14	3810
+FC(F)(F)c1cc(CNC(Nc2ccc(cc2)C(CO)(CO)O)=O)n(-c3cccc(c3)Cl)n1	238
+FC(F)(F)c1cc(CNC(=O)Nc2cc(F)c(CO)cc2)n(-c3cccc(c3)Cl)n1	238
+FC(F)(F)c1cc(n(-c2cccc(c2)Cl)n1)CNC(=O)Nc3ccc(nc3)C#N	238
+FC(F)(F)c1nn(c(c1)C(=O)Nc2ccc(cc2)-c3ccc(cc3)NC(C)=O)-c4c(Cl)cccc4	11
+FC(F)(F)c1nn(c2c1C(CC(C)(C)C2)=O)-c3ccc(C(N)=O)c(NC4CCC(CC4)N)c3	216
+FC(F)(F)c1c2CCNCc2n(CC(=O)Nc3c(OC)ccc(Cl)c3)n1	2
+FC(F)(F)c1c2c(n(n1)-c3ccc4c(c3)c(N)no4)C(N(c5ccc(cc5)N6C(=O)CCCC6)CC2)=O	2134
+FC(F)(F)c1nn(-c2ccccc2)cc1C(NCCN)=O	4340
+FC(F)(F)c1c(C(=O)O)cn(Cc2ccc(cc2)OC)n1	6
+FC(F)(F)c1c(C(C)O)cn(n1)Cc2nc3sc(C)cc3c(O)n2	9395
+FC(F)(F)c1nn(cc1CO)Cc2ccc3c(c2)CCC3N	102
+FC(F)(F)c1nn(cc1CO)Cc2cc3CCC(NS(=O)(=O)c4c(cccc4)OC)c3cc2	71
+FC(F)(F)c1nn2c(COC)ccc(C=O)c2c1	200
+FC(F)(F)c1sc(N(C)C2CCNCC2)nn1	62
+FC(F)(F)c1nnc(cc1)NC2CCN(CC2)Cc3ccc(cc3)F	48
+FC(F)(F)c1nnc(Oc2c(C=CC(=O)O)ccc(OCCOC)c2)cc1	108
+FC(F)(F)c1nnc(NC2CCNCC2)cc1	2
+FC(F)(F)c1nnc(N(C2CCN(CC2)C(OCc3ccccc3)=O)C)s1	9396
+FC(F)(F)c1nnc2CN(c3n4c(c(Br)n3)c(N)ncc4)CCn12	522
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCCOS(=O)(=O)C)CC2	7
+FC(F)(F)c1n(-c2ccc(cc2)O)nnn1	16
+FC(F)(F)c1oc(CN2c3ccccc3C4(COc5c4nc(O)cc5)C2=O)cc1	104
+FC(F)(F)c1oc(CN2c3ccccc3C4(c5c(OC4)cc6c(OCO6)n5)C2=O)cc1	981
+FC(F)(F)c1oc(CN2C(C(c3c2cccc3)c4c(cc5c(OCO5)c4)OCc6ccccc6)=O)cc1	462
+FC(F)(F)c1oc(CN2c3c(C(O)(c4c(OCc5ccccc5)cc6OCOc6c4)C2=O)cccc3)cc1	22
+FC(F)(F)c1onc(-c2cncc(c2)C(NCCc3nc(-c4ccc(cc4)C#N)oc3)=O)n1	56
+FC(F)(F)c1nnc(N(C)C2CCN(CC2)Cc3ccc(cc3)F)s1	171
+c1cc(ccc1Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC)-n4cccn4	4789
+c1cc(ccc1Br)Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC	4789
+FC(F)(C#N)C(F)(F)OC	143
+FC(F)(Oc1cccnc1C2CC2)C	2222
+FC(F)(Oc1cc(Nc2nccc(-c3cc(CN)ncc3)n2)ccc1)C(F)F	421
+FC(F)(Oc1cc(ccc1)Nc2nccc(n2)-c3ccnc(C(N)=O)c3)C(F)F	1200
+FC(F)(P(O)(O)=O)c1ccc(CN(S(=O)(=O)c2ccccc2)Cc3ccc(cc3)C(O)=O)cc1Br	1
+FC(F)(P(O)(O)=O)c1ccc(CN(S(=O)(=O)c2ccccc2)Cc3ccc(cc3)C(=O)OC)cc1Br	228
+FC(F)(Cl)c1c(cc(c(n1)O)C(O)=O)Cl	1
+FC(F)(CNC(c1ncccc1C)=O)c2c(cc(Cl)cc2)Cl	81
+FC(F)(c1c(Cl)cc(Cl)cc1)CN	18
+FC(F)(c1ccc(F)c2ccccc12)C(Nc3ccc([N+](=O)[O-])c(CCOC(C)=O)c3F)=O	26
+FC(F)(c1cc(ccc1F)N)C	0
+FC(F)(C)c1cc(N)c(cc1)C(=O)OC	0
+FC(F)(CNc1ccc(C#N)c(c1F)CC(=O)OCC)c2ccc(cn2)C	60
+FC(F)(c1ccc(C)cn1)CN	18
+FC(F)(CI)c1ncc(cc1)C	343
+FC(F)(CNc1c(c(CCO)c(cc1)Cl)F)c2ccc(c3ccccc23)F	15
+FC(F)(C(Nc1ccc(c(CCOC(C)=O)c1F)N)=O)c2ccc(F)c3ccccc23	0
+FC(F)(c1nc2cc(ccc2c(SC)n1)C#N)c3ccc(F)cn3	2627
+FC(F)(C(F)(F)Cl)c1ccc(cc1)NC(=O)c2cc(c(nc2)Cl)Br	246
+FC(F)(c1c(cc(Cl)cc1)Cl)CN=[N+]=[N-]	310
+FC(F)(c1ccc(C)cn1)CO	44
+FC(F)(c1ncc(F)cc1)c2nc3c(cccc3Cl)c(n2)O	4790
+FC(F)(c1ncc(F)cc1)c2nc(c3ccc(cc3n2)OC)O	4790
+FC(F)(C(Nc1c(C(N)=O)cccc1)=O)c2ccc(F)cn2	33
+FC(F)(C(=O)Nc1ccc(c(CCO)c1F)Cl)c2ccccc2	1030
+FC(F)(c1ccccc1)CNc2c(F)c(c(cc2)Cl)CC(=O)O	2154
+FC(F)(c1ccccc1)CNc2c(c(c(cc2)Cl)CC=O)F	24
+FC(F)(c1nc2cc(ccc2c(SC)n1)C(N)=O)c3ccc(F)cn3	2265
+FC(F)(c1nc2c(cccc2)c(n1)Nc3ncc(C)s3)c4ncc(cc4)F	9397
+c1cc(ccc1S(=O)(=O)OCC(F)(F)c2ncccc2)C	36
+c1nc(ncc1)C(F)(F)CN	18
+FC(F)(c1nn2cc(nc2s1)-c3oc4cccc(N)c4n3)C	13
+FC(F)(c1nn2cc(-c3nc4c(cccc4[N+]([O-])=O)o3)nc2s1)C	9398
+O=S(=O)(C)OCCC(C)=C(F)F	7
+FC(F)=C(CCOC(c1c(C)nc(OCCCCCl)nc1)=O)C	3078
+FC(F)=C1C2(C)C(CC1)C3C(C(OC)C2)c4ccc(O)cc4CC3	805
+O=S(=O)(c1c(F)cc(-n2c(cc(n2)C(F)F)-c3cc(Cl)c(cc3)C)cc1)N	4623
+FC(F)C(N=C1C=CC=CN1Cc2ccc(nc2)F)=O	9399
+FC(F)c1cc(ncn1)O	9400
+FC(F)c1[nH]c2cc(cc(Br)c2n1)[N+](=O)[O-]	442
+FC(F)c1[nH]c2c(c(cc(c2)[N+]([O-])=O)OC)n1	442
+FC(F)C1(NC(COC1)=S)c2cccc(c2F)F	199
+FC(F)C1(c2cccc(c2F)F)COCC(=N1)N	4791
+FC(F)C1(COCC(=N1)N)c2cc([N+](=O)[O-])cc(c2F)F	77
+FC(F)c1ncnc(O)c1Oc2cc(Cl)cc(C#N)c2	9401
+FC(F)CCOc1c(ccc(C#Cc2ccc(c(C)c2)OC(F)F)c1)F	455
+Fc1cccc(F)c1S(=O)(=O)Nc2c(ccc(-c3c(-c4ccnc(NCC(F)F)n4)sc(n3)C(C)C)c2)F	96
+FC(F)COc1cc(c(C#N)nc1)Cl	1286
+FC(F)COc1cc2ncnc(Nc3cc(c(F)cc3)Cl)c2cc1[N+](=O)[O-]	724
+FC(F)COc1ccccc1	2983
+FC(F)Cn1ncnc1	4540
+FC(F)COc1cc(NC)c(cc1C(OCC)=O)N	0
+FC(F)COc1c(cc(N)c(NC)c1)C(=O)Nc2ccc(cc2)Br	0
+FC(F)COc1cc(c(C(O)=O)nc1)Cl	876
+FC(F)COc1c(C(=O)OCC)cc(N)c(N)c1	0
+FC(F)COc1cc2c(cc1N)c(Nc3cc(c(F)cc3)Cl)ncn2	0
+c1cc(ccc1OCC(F)F)C(CCCCCl)c2[nH]c(Nc3cc(F)c(cc3)-n4c(nc(n4)C)C)nn2	4792
+c1cc(ccc1C(c2c(ccc(Br)c2)Cl)=O)OCC(F)F	222
+FC(F)Oc1cc(C=O)cc2c1OC(C)C(=O)N2	1548
+FC(F)Oc1ccnc(c1C)CSc2nc3ccccc3[nH]2	1548
+FC(F)Oc1cnc(Cl)c(c1)Cl	9402
+c1cc(ccc1-n2cccn2)Cc3c(OC(F)F)nc4c(c3C)c(OCC(=O)OC)ccc4Cl	9403
+c1cc(ccc1C(=COC(F)F)C(NCCc2ccc(OCc3ccccc3)c(OC)c2)=O)Cl	9404
+FC(F)Cn1ncc(c1)Nc2ncc3c(n2)n(CC4CCCN(C4)S(=O)(=O)C)nc3	2827
+FC(F)N1C(=NN(c2cc(c(C)cc2Cl)OC(C(=O)O)C)C1=O)C	4
+FC(F)N1C(=O)N(c2c(cc(C)c(OC)c2)Cl)N=C1C	662
+FC(F)N1C(=NN(c2c(cc(C)c(O)c2)Cl)C1=O)C	5
+FC(F)N1C(N(N=C1C)c2c(cc(OCc3cccc(OC(C)C(OC)=O)c3)cc2)F)=O	139
+FC(F)N1C(N(c2ccc(N)cc2F)N=C1C)=O	0
+c1cc(ccc1C(=O)O)Oc2cc(N3N=C(N(C3=O)C(F)F)C)c(F)cc2Cl	6
+FC(F)N1C(=O)N(c2ccc(cc2F)O)N=C1C	956
+C1C(CC1C(=O)O)COC(F)F	3
+FC(F)OCCCc1cc(cc(Br)c1C)C=O	1766
+FC(F)Oc1c(Cl)c(-c2cc(c(cc2Cl)Cl)C3C(C#N)(O3)C(=O)OCC)nn1C	9405
+FC(F)Oc1c(c(-c2ccc(Cl)c(c2)CO)nn1C)Cl	59
+FC(F)Oc1c(F)c(F)c(c(C(=O)C(C(=O)OCC)=COCC)c1F)[N+]([O-])=O	4793
+FC(F)Oc1c(F)c(cc(F)c1F)C(=O)O	6
+FC(F)Oc1c(F)c(C(=O)OCC)cc(F)c1N=[N+]=[N-]	1870
+FC(F)Oc1c(c(F)cc(c1F)C(OCC)=O)N	912
+C1CC1N2c3c(OC(F)F)c(c(c(N)c3C(C(=C2)C(OCC)=O)=O)F)F	0
+FC(F)Oc1ccccc1N2N=C(C(=O)C(=C2)OC)C(=O)C	1183
+FC(F)Oc1c(OC)cc(cc1)CO	41
+FC(F)Oc1c(Cl)c(nn1C)-c2ccc(Cl)c(COC(C)=O)c2	283
+FC(F)Oc1c(N)c(F)cc(C(=O)O)c1F	6
+FC(F)Oc1c(F)c(c([N+](=O)[O-])c2C(C(C(=O)OCC)=CN(C3CC3)c12)=O)F	2020
+FC(F)Oc1ccc(Br)c(OCC(=O)O)c1OC	3
+c1(cc(cc(F)c1)C2(SCCCS2)C(O)c3cc(c(cc3)OC(F)F)C)F	3077
+c1ccccc1CCCC(n2cnc3c(nc(nc23)Cc4cc(c(cc4)Cl)OC(F)F)O)C(O)C	4794
+FC(F)Oc1c(N2C=C(C(=O)C(=N2)C(N(OC)C)=O)OC)cccc1	2264
+FC(F)Oc1c(cccc1)N2C=C(C(C(C(=O)OC)=N2)=O)OC	1181
+FC(F)Oc1c2oc3c(c2c(C(O)=O)cc1)cncc3	1
+c1cc(ccc1[N+]([O-])=O)OC(c2c3c4c(ccnc4)oc3c(OC(F)F)cc2)=O	852
+FC(F)Oc1cc2n3c(nnc2c(OC)c1)c(C)nc3-c4cncc(OC)c4	2051
+FC(F)Oc1cc(-n2cc(C)nc2-c3cncc(OC)c3)c(c(OC)c1)N	0
+FC(F)Oc1cc(nn1C)-n2c(c(C(=O)O)cn2)C	6
+FC(F)Oc1cc(nn1C)-n2ncc(c2C)C#N	4740
+FC(F)Oc1c(cc(F)c(NN)c1)Cl	427
+FC(F)Oc1cc(Nc2c3cc(NC(c4ccc(nc4)OC)=O)ccc3nc(-c5nccnc5)n2)ccc1	971
+FC(F)Oc1cc(-n2cc(nc2-c3cc(cnc3)OC)C)c([N+]([O-])=O)c(c1)OC	4795
+FC(F)Oc1cc(N)c(cc1Cl)F	0
+FC(F)Oc1cc(C)cc(C)c1CC=O	9406
+FC(F)Oc1cc(Nc2c3cc(ccc3nc(n2)-c4nccnc4)N)ccc1	0
+FC(F)Oc1c(ccc(CC=O)c1)C#N	2775
+FC(F)Oc1cc(-n2ncc(c2C)C(=O)N)nn1C	9407
+FC(F)Oc1n(nc(c1Cl)-n2c(N)c(C#N)cn2)C	1188
+FC(F)Oc1n(nc(-n2c(c(C#N)cn2)C)c1Cl)C	1188
+FC(F)Oc1cc(nn1C)-n2c(c(cn2)C#N)N	9408
+FC(F)Oc1cc2cc3c(C(OC3=O)=O)nc2cc1	9409
+FC(F)Oc1cc2c(nc(C(=O)O)c(C(O)=O)c2)cc1	1
+FC(F)Oc1ccc(cc1OC)-c2nnc(cc2)NN	599
+FC(F)Oc1c(OC)cc(cc1)-c2n[n+]([O-])c(cc2)N	9410
+FC(F)Oc1c(CCOC)cc(cc1)Br	1541
+FC(F)Oc1c(C)cc(cc1)C#Cc2ccc(F)c(c2)OCC	455
+FC(F)Oc1ccc(cc1OCC)C(CC(=O)OC)N2Cc3c(C2=O)c(NC(=O)C)ccc3	26
+FC(F)Oc1ccc(C(CC(=O)OC)N2Cc3cccc(N)c3C2=O)cc1OCC	0
+FC(F)Oc1ncc(C=CC(O)CCCCc2nc3c(CCCN3)cc2)cc1	4796
+FC(F)Oc1c(OC)cc(Cc2nc3n(CC(C)O)cnc3c(n2)O)cc1	4794
+FC(F)Oc1c(OC)cc(CC#N)cc1	177
+FC(F)Oc1ccc(c(c1OC)O)Br	241
+FC(F)Oc1ccc(cc1-c2nn(cc2NC(=O)c3c4n(cccn4)nc3)CCNCc5cccnc5)Cl	132
+c1cnccc1CNCCn2nc(c(c2)NC(=O)c3c4n(cccn4)nc3)-c5cc(Cl)ccc5OC(F)F	132
+FC(F)Oc1cc([N+](=O)[O-])c(F)cc1Cl	31
+FC(F)Oc1ccc(-c2ccc(nn2)N)cc1OC	2574
+FC(F)Oc1c(cc(cc1)C(N2C(=O)c3c(cccc3NC(=O)C)C2)CC(O)=O)OCC	4
+FC(F)Oc1cc2c(nc(c(C(=O)O)c2)C(=O)OC)cc1	1
+CC(C)C1(NC(=NC1=O)c2nc3ccc(cc3cc2C(O)=O)OC(F)F)C	9411
+FC(F)Oc1cccc(F)c1C(O)=O	1
+FC(F)Oc1cc(ccc1)Nc2c3cc([N+](=O)[O-])ccc3nc(-c4nccnc4)n2	73
+c1cnccc1-c2n3nc(ccc3nc2NC(=O)C)-c4cc(c(nc4)Cl)NS(=O)(=O)c5cccc(c5)OC(F)F	9412
+FC(F)Oc1cccc(c1)S(=O)(=O)Nc2c(ncc(c2)-c3ccc4nc(NC(C)=O)c(n4n3)I)Cl	3079
+FC(F)Oc1ccccc1COc2c(C(=O)OC)sc(-n3cnc4cnccc34)c2	3080
+FC(F)Oc1ccccc1COc2cc(-n3c4ccncc4nc3)sc2C(=O)N	1355
+CN(C)C=CC(C1=NN(c2c(cccc2)OC(F)F)C=C(OC)C1=O)=O	3076
+FC(F)Oc1c(O)nccc1	104
+FC(F)Oc1ccc(nc1)CO	194
+c1c(Cl)c(c(cc1N)Cl)Oc2c(cc(OC(F)F)cn2)Cl	136
+FC(F)Oc1c(c(-c2c(Cl)cc(c(c2)C(=O)O)Cl)nn1C)Cl	1182
+FC(F)Oc1n(nc(c1Cl)-c2ccc(Cl)c(N)c2)C	0
+FC(F)Oc1ncc(cc1Cl)COC	382
+FC(F)Oc1c(Cl)cc(cn1)C=O	200
+FC(F)Oc1ccc(C=CC(CCCCc2nc3c(CCCN3)cc2)=O)cn1	9413
+FC(F)Oc1ncc(CO)cc1Cl	88
+FC(F)c1n(-c2nc(nc(c2)Cl)SC)c3c(cccc3)n1	4648
+C1CN(CCO1)c2nc(Cl)nc(-n3c(C(F)F)nc4c(OC)cccc34)n2	4647
+FC(F)c1c(-c2cc(O)ncn2)c(c(Cl)cc1)F	104
+FC(F)c1c(C(OCC)=O)cc(c(n1)O)Cl	395
+FC(F)c1nc(c(cc1C(OCC)=O)C#N)N2CC(C2)C(NS(=O)(=O)Cc3ccccc3)=O	43
+FC(F)c1ncc(cc1C(=O)O)CNC(=O)C(C)C	6
+c1cc(ccc1-c2oc3cc(c(cc3c2C(NC)=O)C4CC4)N(S(=O)(=O)C)c5ccc(c(C(F)F)c5)Br)F	1078
+FC(F)c1cc(N)c(cc1I)C(OC)=O	184
+FC(F)c1cc(N2C3=C(C(NC2=O)c4ccc(cc4)C#N)C(CC3)=O)ccc1	160
+FC(F)c1cc(N2C=3CCC(=O)C=3C(NC2=O)c4ccc(cc4)Br)ccc1	4758
+FC(F)c1c(Br)c(C)n(C2OCCCC2)n1	1738
+FC(F)c1nc(c(cc1C(OCC)=O)C#N)N2CC(C2)C(=O)NS(=O)(=O)Cc3c(F)cccc3F	344
+C1N(CC1C(=O)NS(=O)(=O)c2ccc3ccccc3c2)c4nc(c(cc4C#N)C(=O)OCC)C(F)F	344
+c1cc(ccc1)CS(=O)(=O)NC(C2CN(C2)c3c(C#N)cc(c(n3)C(F)F)C(=O)O)=O	6
+c1cc(ccc1OC)CN2C(=O)C(Br)=C(C(F)F)N=C2	9414
+c1cc(ccc1I)C(N(OC)C(=O)c2cn(nc2C(F)F)C)C	3025
+c1c(Cl)c(c(cc1Cl)Cl)CCCC(C)NC(=O)c2c(C(F)F)nn(C)c2	597
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3scc(C4=NOC(C4)c5ccccc5CO)n3	41
+c1cc(ccc1C(c2c(nc(Br)n2CC=C)C(OCC)=O)Nc3cn4c(nnc4C(F)F)c(c3)C)Cl	9415
+FC(F)c1nnc2n1cc(N)cc2C	13
+FC(F)c1sc(C(Nc2n(CC3N(CCC3)C(=O)CC#N)c4ccc(CO)cc4n2)=O)cc1	10
+C1N(CC1Cn2c3c(cccc3)nc2NC(c4sc(cc4)C(F)F)=O)C(=O)CC#N	10
+FC(F)c1sc(C(=O)Nc2n(c3ccc(cc3n2)C=O)CC4N(CCC4)C(=O)CC#N)cc1	39
+FC(F)n1nc(c(Cl)c1)C(N(C)OC)=O	4797
+FC(F)n1nc(CNc2cc(c(F)cc2)C3(N=C(N)COCC3(F)F)CC)c(Cl)c1	9416
+FC(F)n1cc(Cl)c(n1)C(=O)O	1
+FC(F)n1cc(c(C=O)n1)Cl	2231
+FC1(F)C(C(C2C(C1)(C(OC2C)=O)CCC(=O)N)C=Cc3ncc(Br)cc3)C	83
+FC1(F)CC2(CCC(=O)N)C(=O)OC(C)C2C(C1C)C=Cc3ncc(cc3)-c4c(cccc4)C#N	89
+FC1(F)C(C2c3ccccc3N(CC(N)=O)CC2)C1	3950
+FC1(F)C(C2CCNc3ccccc23)C1	15
+FC1(F)CC1C2c3c(cccc3)N(CCN)CC2	15
+FC1(F)C(CC(CNC(=O)c2cc(CCO)n3cccc(Cl)c23)CC1)C	88
+FC1(F)C(CN2c3c(nc(-c4cc(C(=O)O)ccc4C)cc3)N(S2(=O)=O)C)C1	1
+FC1(F)C(CN2c3c(nc(-c4c(C)ccc(CN5CCN(CC5)C(=O)C(O)C)c4)cc3)N(S2(=O)=O)C)C1	10
+FC1(F)C(CN2c3c(nc(-c4cc(CO)ccc4C)cc3)N(S2(=O)=O)C)C1	49
+FC1(F)C(F)(F)CN(C1)c2c(F)c(N3C=C(C(C(c4n(ncc4)-c5ccccc5)=N3)=O)OC)ccc2	79
+FC1(F)C(N(c2c(nc(nc2)Nc3cc(c(cc3OC)C(=O)O)F)N(C4CCCC4)C1)C)=O	1
+FC1(F)C(N(c2c(nc(nc2)Nc3c(cc(c(F)c3)C(NC)=O)OC)N(C4CCCC4)C1)C)=O	14
+FC1(F)CCCC(Nc2cnc(C#N)c(Cl)n2)C1N	464
+FC1(F)CC(C1)c2onc(-c3cc(NC(c4cnc5ccc(CCC(C)=O)cn45)=O)c(cc3)C)n2	466
+FC1(F)CC(C1)c2onc(-c3cc(NC(c4n5cc(ccc5nc4)CCC(C)(C)O)=O)c(cc3)C)n2	736
+FC1(F)CCC(N2CC(C)(C)C(=O)Nc3cnc(Cl)nc23)C1	2044
+FC1(F)C2N(C(C1)CC(=O)C2)Cc3ccccc3	86
+FC1(F)CCC(C(Nc2cc3c(cc2)[nH]cc3C(=O)C)=O)C1	432
+FC1(F)CCC(C(Nc2cc3c([nH]cc3)cc2)=O)C1	33
+C1CC(CCC1)C(=O)C2CCC(CC2)(F)F	86
+FC1(F)CCC(CC1)C=O	24
+FC1(F)CCCC(CNC(=O)c2cc(n3cccc(Cl)c23)CCOCC)(O)C1	56
+FC1(F)CCCC(Nc2cnc(C#N)c(Nc3ccc(cc3)-c4ccncc4)n2)C1N	1410
+FC1(F)CCCC(Nc2cnc(c(Nc3ccc(cc3)-c4ccncc4)n2)C(=O)N)C1N	1198
+C1CN(CCC1(F)F)CCO	95
+FC1(F)CCN(CC1)c2c3c(ncc(C(N)=O)c3)cnc2	393
+FC1(F)CCN(CC1)c2c3cc(C(O)=O)cnc3cnc2	6
+FC1(F)CCN(CC1)c2sc(-c3ccc(cc3)N4CCS(=O)(=O)CC4)c(C5C(C(O)=O)CCCC5)n2	4
+FC1(F)CN(C1)c2ncc(nc2OCC3CC3)C(N4CC5OCC4C5)=O	777
+FC1(F)CN(C1)c2c(nc(C(NC(C)(C)CC(NC)=O)=O)cc2)OCC3CC3	9
+FC1(F)CN(C1)c2c(nc(C(=O)NC(C)(C)CC(O)=O)cc2)OCC3CC3	3
+FC1(F)CN(C1)c2ccc(nc2OCC3CC3)C(=O)O	1
+FC1(F)C(N(c2c(nc(Nc3ccc(cc3OC)C(=O)O)nc2)N(C4CCCCC4)C1)C)=O	55
+O=S(=O)(OC=1c2ccccc2C(=O)N(CC(N(CC)c3ccc4OC(F)(F)Oc4c3)=O)N=1)c5ccc(cc5)C	9417
+FC1(F)Oc2c(O1)ccc(C=CC(N)=O)c2	2045
+c1cc(ccc1CCCCn2nncc2)OCc3nc(C=Cc4cc5OC(F)(F)Oc5cc4)oc3	547
+FC1(F)Oc2c(ccc(CO)c2)O1	611
+FC1(F)Oc2cc(ccc2O1)CC#N	177
+FC1(F)Oc2cc(NC(=O)c3c(NCc4ccnc(Nc5nc(cs5)C)c4)cccc3)ccc2O1	1731
+FC1(F)Oc2c(cccc2N3N=C(C(C)=O)C(=O)C(OC)=C3)O1	1183
+FC1(F)Oc2c(cccc2N3N=C(C(O)=O)C(=O)C(OC)=C3)O1	4
+CN(C)C=CC(C=1C(=O)C(=CN(N=1)c2cccc3c2OC(F)(F)O3)OC)=O	3076
+FC1(F)Oc2c(cccc2N3N=C(C(=O)C(=C3)OC)C(N(C)OC)=O)O1	2101
+FC1(F)Oc2c(ccc(NC(c3c(cccc3)N)=O)c2)O1	0
+C(c1c(cccc1)F)(Nc2ccc(cn2)-c3cc4OCCc4cc3Br)=O	9418
+FC1(F)Oc2cc(NC(c3c([N+](=O)[O-])cccc3)=O)ccc2O1	50
+FC1(F)Oc2ccc(C3(CC3)C(Nc4ccc(c(-c5c(ncc(C)c5)O)n4)C)=O)cc2O1	104
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4nc(c(C)c(c4)C)-c5ccc(nc5)OC)=O	3081
+O=S(=O)(C)NC(=O)c1cc(ccc1)-c2nc(NC(=O)C3(CC3)c4ccc5OC(F)(F)Oc5c4)ccc2C	258
+FC1(F)Oc2cccc(c2O1)NN	427
+c1(c(N)c(c2C(C(=CN(C3CC3F)c2c1C)C(OCC)=O)=O)[N+](=O)[O-])F	623
+N1(CC(F)CC1C(Nc2nc(ccc2)Cl)=O)C(=O)Cn3c4c(cc(cc4)Nc5nnccc5)c(C(N)=O)n3	348
+c12c(C(=O)N(C1=O)C(C)C3=C(C(N4C=C(F)C=CC4=N3)=O)Br)cccc2	4798
+FC=1C=CC2=NC(=C(C(N2C=1)=O)Br)C(C)O	3604
+c12c(cc([N+]([O-])=O)cc1nc([nH]2)CF)Br	442
+C(F)C(Nc1c(OC)cc(c(O)c1)C)=O	3976
+C(F)C(CF)(C)C(CC#N)=O	1982
+c1cc(ccc1)OC(=O)Nc2onc(C(CF)(CF)C)c2	4799
+FCC1(CF)Oc2c(cc(I)cc2)C(=C1)C(OCC)=O	158
+FCC1(CF)Oc2ccc(N)cc2C(=C1)C(OCC)=O	0
+n1n(cc(I)c1)CCF	1717
+S(c1cc(nc(NCCF)c1)N)C	9419
+c1ccccc1CON2C(c3c(N(CCF)C2=O)cc(c(F)c3)F)=O	9420
+c1cc(ccc1OCCOCCOCCF)-c2ccc3c(c2)ccc(c3)N	72
+c1cc(ccc1-c2cc3ccc(cc3cc2)OCCOCCOCCF)[N+](=O)[O-]	72
+FS(F)(F)(F)(F)c1cc2c([nH]cc2CN3C(C=4N(CC3)C(C(=CC=4)n5cc(nc5)C)=O)=O)cc1	3055
+N#CC(C#N)=C(C)c1cc2ccc(cc2cc1)N(CCOCCF)C	559
+O=S(=O)(C)Nc1cccc2n(ccc12)C(CC)(c3ccc(cc3)Cl)CCF	559
+c1c(Br)nc(CF)cc1	9421
+c1cc(ccc1)C(C)N2C(CC(C2)CC(CF)C)=O	559
+c1ccccc1CN(C2CCCC2)CC(C(=O)OCC)(F)C	9422
+c1cc(ccc1-c2cn3c(cc(C)c(CCF)c3)n2)N(C)C	559
+c1cc(ccc1-c2csc(N3C(COC3=O)CF)n2)Br	559
+c1cc(ccc1C#N)NCc2cnc(c(OCc3ccc(cc3)C#N)c2CF)C	2672
+C1CN(CCN1CCc2ccc(cc2)[N+]([O-])=O)CC(F)c3ccc(cc3)[N+]([O-])=O	3913
+c1cccc2C(=O)N(C(=O)c12)CCN(CCF)CC	559
+c1ccccc1C(=O)OC2C(C3CC(=O)OC3C2)CCC(COc4cccc(c4)Cl)F	2124
+c1ccccc1CCCF	559
+n1c(Br)cc(C2(CF)COCC(=O)N2)cc1	559
+C1CC1c2cc(c(c(C=O)c2O)C)[N+](=O)[O-]	4800
+C1CC1c2ccc(C=O)cc2C#N	4800
+C1CC1c2cc(-c3ccc4c(c3Cl)CC(=O)N4C)cnc2	2060
+O1Cc2c(OC)c(C=C)ccc2C1=O	2225
+c1(c2c(ccn2C)cc(C=O)c1C=C)F	9423
+c1c(F)c(c(cc1S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C)F)C=C	2225
+Cc1ccc(cn1)C=C	3067
+C(C)OC(c1n2cc(ccc2nc1)C=C)=O	3067
+S1c2cc(C#N)ccc2C=Cc3c1ccc(F)c3	4801
+c1cc2c(F)cccc2c(OC)c1	4801
+c12ncc(cc1cccc2)F	9424
+c1cc2c(cc1C(=O)c3c(F)cc(OC)cc3)ccc(OC)c2	335
+Fc1c(C)ccc(c1)CN2CCC(C2=O)N3CC(C(c4cc(F)c(cc4)O)CC3)F	5
+c1cc(ccc1CNCCc2c(F)cccc2)-c3onc(CCCCCCCCCCC)n3	42
+c1cc(ccc1C=O)OCc2c(F)cccc2	139
+c1cc(ccc1CCOc2c(cccc2)C(OC)=O)OCC(=O)N(CC)Cc3ccccc3F	10
+c1(c(ncc(c1)C(=O)OC)[N+](=O)[O-])OCc2c(F)cccc2	9425
+c1(C(N)=S)nc(nc2n(Cc3c(F)cccc3)cnc12)N	4802
+O=S(=O)(c1ccc(cc1)Br)Nc2c(F)c(F)c(c(F)c2F)C(=O)OC	69
+c1cc(ccc1CN(S(=O)(=O)c2cc3cc(Cl)nc(c3cc2)Br)c4nccs4)OC	9426
+O=S(=O)(Nc1nccs1)c2ccc3c(ccnc3Cl)c2	4752
+Fc1c(F)cc(c(c1)C(=O)C(C(OCC)=O)=COCC)Br	4793
+c1(OCCO)c(cc(c(F)c1)F)F	57
+c1(F)c(F)c(c(c(F)c1C)F)C(O)=O	634
+Fc1c(cc(N)c(C(NC)=O)c1)F	0
+CC(Nc1c2CCCC(c2c(c(F)c1)F)=O)=O	214
+c1(ccc(c(F)c1C(=O)O)F)Br	634
+Fc1c(F)cn(c1)-c2cc(c(cc2)N3N=C(C(O)=O)C(=O)C(OC)=C3)OCc4ccccc4	4
+Fc1c(F)cn(c1)-c2cc(c(N3C=C(OC)C(C(=N3)C(N(C)OC)=O)=O)cc2)OCc4ccccc4	2101
+Fc1cn(cc1F)-c2cc(OCc3ccccc3)c(cc2)[N+]([O-])=O	22
+c1ccc(c(Nc2ccccc2F)c1)N	0
+Fc1c(OC)cc(OC)c(F)c1N2Cc3c(c4ccn(S(=O)(=O)c5ccccc5)c4nc3)N(CC=O)C2=O	465
+Fc1c(OC)cc(OC)c(F)c1N2C(N(c3cc(C=NO)ncc3C2)CC)=O	688
+Fc1c(OC)cc(OC)c(F)c1N2Cc3cnc4n(S(=O)(=O)c5ccccc5)ccc4c3N(C2=O)CCO	237
+Fc1c(OC)cc(OC)c(F)c1N2C(N(c3c(cnc(C=O)c3)C2)CC)=O	1436
+Fc1c(OC)cc(OC)c(F)c1N2C(=O)N(CC=C)c3c4c(ncc3C2)n(S(=O)(=O)c5ccccc5)cc4	276
+Fc1c(OC)cc(OC)c(F)c1N2Cc3c(c4cc[nH]c4nc3)N(CCO)C2=O	1017
+c1(c(F)c(ccc1)OCC)C(=O)O	634
+c1c(cc(C(=O)c2cc(c(cc2)OCC)F)c(Cl)c1)Br	222
+c12c(cccc1C(C)C(=O)O2)Oc3c(F)cccc3	9427
+Nc1nc(nc(N)c1[N+]([O-])=O)-n2c3c(c(Oc4ccccc4F)n2)cccc3	4803
+c1c(Nc2c(c(F)cc(c2F)F)[N+](=O)[O-])c(F)cc(I)c1	275
+OCCONC(=O)c1c(c(c(F)c(c1)F)F)Nc2ccc(I)cc2C	1000
+O(c1c(cc(c(F)c1)N)F)c2cc(C(N)=O)ncc2	242
+c1(F)cc2c(O)ncnc2cc1F	9428
+c1(F)cc2c(O)ncnc2cc1F	1116
+Fc1c(cc(Oc2c(O)cccc2)c(N)c1)NC(C)=O	0
+c1(c(cc(c(c1CO)F)[N+]([O-])=O)F)F	49
+Fc1c(F)cc(c(Nc2n(-c3ncccc3)nc(C)c2)c1)C(O)=O	9429
+c1cc(ccc1)CN(C)C(c2cc(NC(=O)c3cc(c(cc3Cl)F)F)[nH]n2)=O	147
+Fc1cc2c(Nc3c(C(N4CC(CCOC)NCC4)=N2)ccs3)cc1F	3073
+c1cc(-c2nn3c(Cc4ccc5nccnc5c4)cnc3nc2)cc(c1C#N)F	160
+[O-][N+](CCc1cc(F)c(cc1)F)=O	364
+c1cc(ccc1F)-n2cc(OCC)c(C(Nc3cc(c(cc3)Oc4c5c(cc(c(OC)c5)OC)ncc4)F)=O)n2	772
+O=S(=O)(NC1CC1)c2c(F)ccc(NC(c3ccc(F)c(c3)F)=O)c2	50
+Fc1cc(c(C)cc1F)C(=O)Nc2[nH]nc(C(NCc3oc(nc3C(=O)OCC)C)=O)c2	81
+Fc1c(cc(c(C)c1)O)C	5
+c1(Cl)c(F)c(F)c(C)c(F)c1[N+](=O)[O-]	31
+Fc1cc(Cl)c(F)c(F)c1C	1030
+c1ccccc1CONC(=O)c2cc(F)c(cc2Nc3ccc(F)cc3F)F	514
+Fc1cc(c(C(O)=O)cc1F)Nc2ccc(F)cc2F	275
+c1(cc(-n2ccnc2)c(F)cc1[N+]([O-])=O)NCC(OCC)=O	431
+Fc1c(F)cc(c(C(=O)NC)c1)[N+]([O-])=O	14
+Fc1cc(cc(F)c1)-c2n3c(c(c(C)n3)I)nc(c2)Cl	1390
+c1(cc(cc(F)c1)C(=O)C(c2ccc(c(c2)C)OC(F)F)=O)F	4804
+c1c(F)cc(cc1C(C(=O)c2ccc(cc2)OC(F)F)=O)F	4804
+c1c(F)cc(cc1C(=O)c2cc(c(F)cc2)C#N)F	335
+c1c(F)cc(cc1Cc2ccc(c(c2)C#N)F)F	452
+c1c(F)cc(cc1C2=CCOCC2)F	252
+Fc1cc(cc(F)c1)CCO	21
+c1c(F)cc(cc1CC(NC(C)C(OC)=O)=O)F	188
+c1c(F)cc(cc1CC2NC(OC2C3N(Cc4ccccc4C3)Cc5ccc(cc5)OC)=O)F	48
+c1(cc(cc(F)c1C(=O)O)OC)F	634
+c12c(C(=O)N(C1=O)CCCN(C)CCOc3cc(F)cc(F)c3)cccc2	28
+c1(Oc2cccnc2)cc(cc([N+]([O-])=O)c1)F	551
+Fc1cc(cc(F)c1-c2nc(C(OC)=O)ccc2F)CO	41
+Fc1cc(cc(F)c1-c2nc(C(OC)=O)ccc2F)CC#N	2490
+c1(F)cc(cc(F)c1-c2c(F)ccc(C(O)=O)n2)OC	1
+c1ccccc1COc2cc(cc(F)c2-c3sc(nn3)N)Br	57
+n1c(csc1-c2cccc(Cl)c2F)C(=O)O	9430
+Nc1c(c(c(c(F)c1)Br)F)Cl	196
+c1(cc(cc(F)c1C(c2cc(C(O)=O)[nH]c2)=O)F)F	787
+Fc1cc(cc(F)c1C)CCC(OCCCC)=O	159
+c1c(F)c(c(cc1CCC2NCCCc3n(CC)nc(C)c23)F)C	2967
+Fc1cc(cc(F)c1C)CCC(NCCCc2cc(C)nn2CC)=O	9
+Fc1cc(cc(F)c1C)CCC(O)=O	1317
+Fc1cc(cc(F)c1C=2N(CC(C)CC)C(=O)C(=NC=2Cl)n3cccn3)O	5
+Fc1cc(cc(F)c1C2=C(N=C(C(=O)N2CC(C)CC)n3cccn3)Cl)OC	9431
+c1(cc(cc(F)c1C=CCO)NC(=O)OC(C)C)F	2219
+c1(F)cc(cc(F)c1CN)C#N	817
+Fc1cc(cc(F)c1CC#N)Br	163
+c1c(F)c(c(cc1Br)F)CC(=O)O	3296
+c1(cc(cc(F)c1CC(Nc2nnccc2C(=O)OCC)=O)F)F	195
+C1CC1c2cc3c(s2)N(C(=O)NC3=O)Cc4c(F)cc(cc4F)-c5c(cccc5)C#N	4805
+Fc1cc(cc(F)c1F)-c2cc3CCc4c(ccc(CCC)c4)-c3cc2	2111
+c1(cc(cc(F)c1Oc2cc(cc(C(OCC)=O)c2)O)C#N)F	46
+Fc1cc(cc(F)c1SC)C(C)=O	411
+Fc1cc(cc(F)c1F)C=2c3cc(O)ccc3C(N(c4cccc(c4)C#N)C=2)=O	5
+c1ccccc1Oc2c(F)cc(cc2F)C=C(C)C(OCC)=O	46
+c1(cc(cc(F)c1F)CCC2CCC(CC2)=O)F	374
+c1c(F)c(c(cc1C=O)F)SC	411
+c1ccccc1COc2c(cc(cc2F)[N+]([O-])=O)F	57
+c1c(F)c(c(cc1[N+](=O)[O-])F)-n2cnc(n2)C	2267
+Fc1cc(cc(F)c1N2CCN(CC2)C(C)=O)O	606
+Fc1cc(cc(F)c1OCc2ccccc2)C=O	139
+c1ccccc1COc2c(cc(cc2F)CO)F	41
+c1c(F)c(c(cc1N)F)O	16
+Fc1cc(cc(F)c1Oc2ccc(cc2)S(=O)(=O)NCCOCCOCCOCCN)C=C(C)C(=O)OCC	18
+Fc1cc(cc(F)c1Oc2ccnc3[nH]ccc23)NC(=O)C	26
+c1(F)cc(cc(F)n1)-c2nc(ncc2)Nc3n(C)ncc3	1618
+c1c(-c2ccc(cc2F)F)c(ccc1)C(C)N	474
+C(C)c1c(cc(Oc2c(cc(C#N)cc2)F)c(c1)OC)F	46
+c1nc(nn1-c2ccc(cc2F)C#N)C(=O)OC	2267
+c1(ccc2n(c1)c(cn2)-c3nccc(n3)NC4CN(CCC4)c5c(F)cc(cc5)C#N)C#N	34
+O=S(=O)(C)NC(c1ccc(c(Cl)c1)OCc2cc(F)c(cc2)F)=O	258
+c1cc(ccc1)-c2n3-c4cc(F)c(cc4NC(Cc3nn2)=O)F	9432
+c1(cccc(F)c1-c2c(cc(c(C(O)=O)n2)N)F)F	1
+Fc1cccc(F)c1-c2nc(C(=O)O)c(N)cc2	1
+Fc1cccc(F)c1-c2cccc(-c3cc4c(nccc4O)cc3)n2	16
+Fc1cccc(F)c1-c2scc(C(O)=O)n2	6
+c1c(F)c(c(cc1)F)C(=O)C(C(=O)OCC)=[N+]=[N-]	9433
+Fc1cccc(F)c1C(c2c(nc(NC3CCN(CC3)S(=O)(=O)CCCI)s2)N)=O	363
+c1c(F)c(c(cc1)F)C(=O)c2sc(nc2N)NC3CCN(CC3)S(=O)(=O)CCCSc4ncccc4	9434
+c1c(F)c(c(cc1)F)C(=O)c2sc(nc2N)NC3CCN(CC3)S(=O)(=O)CCCSc4ccncc4	4460
+Fc1cccc(F)c1CCC(OCC)=O	159
+c1c(F)c(c(cc1)F)C(=NO)Cl	761
+c1cc(ccc1S(=O)(=O)C(c2c(F)cccc2F)NC=O)C	9435
+Fc1cccc(F)c1C=NO	135
+Fc1cccc(F)c1C=CC(OCC)=O	530
+Fc1cccc(F)c1COc2c(N)nccc2	483
+Fc1cccc(F)c1CCCO	44
+Fc1cccc(F)c1COc2c3n(c(C(=O)OCC)c(n3)C)ccc2	1316
+Fc1cccc(F)c1COc2cccn3c(c(nc23)C)C(N)=O	2268
+Fc1cccc(F)c1COc2cccn3c(C(NCC(C)(COC)N)=O)c(nc23)C	312
+c1c(F)c(c(cc1)F)COc2c3n(c(c(C)n3)C(NC4Cc5c(cccc5)NC4)=O)ccc2	312
+Fc1cccc(F)c1COc2cc(C#C)cn3c(c(nc23)C)C(O)=O	6
+Fc1cccc(F)c1COc2c3n(c(C(=O)O)c(C)n3)ccc2	6
+Fc1cccc(F)c1COc2cc(Br)cn3c(c(nc23)C)C(O)=O	6
+Fc1cccc(F)c1COc2c3n(ccc2)c(c(n3)C)C(NO)=N	2269
+Fc1cccc(F)c1COc2c3nc(C)c(n3cc(c2)Br)C(=O)OCC	1316
+Fc1cccc(F)c1COc2cccc3n2nc(C)c3C(=O)O	6
+Fc1cccc(F)c1COc2c3nc(C)c(n3ccc2)C#N	1751
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2c(c(C(=O)OC)ccc2)F	69
+c1cc(ccc1-c2ncnc(c2)Nc3ccc(cc3)NS(=O)(=O)c4c(F)cccc4F)F	69
+c1([N+]([O-])=O)ccc(F)c(c1)CC(=O)O	77
+c1(-c2ccccc2F)cncc(c1C(=O)OC)Nc3ccc(I)cc3F	235
+Fc1c(F)cn(c1)-c2ccc(N)c(c2)OCc3ccccc3	0
+Fc1c(F)cn(c1)-c2cc(c(N3N=C(C(C(OC)=C3)=O)C(=O)OC)cc2)OCc4ccccc4	1181
+Fc1cnc2c(c1I)c(C(=O)c3c(F)c(N)ccc3F)c[nH]2	0
+Fc1cncc(F)c1-c2c(nc(c(c2)N)N)-c3c(F)cccc3	13
+c1c(F)c(c(cn1)F)-c2cc(c(nc2-c3cnccc3)N)N	13
+c1(c(F)cc(cn1)F)CNc2nc(F)c(cc2[N+]([O-])=O)F	182
+c1cc(ccc1F)C(C)Nc2c([N+](=O)[O-])cc(c(n2)F)F	182
+C(CCCc1ccc(F)nc1)CCC(C(=O)OC)O	4364
+C(Cl)c1ccnc(F)c1	9436
+Cc1ccc(I)c(Cl)c1	158
+COc1cc(Cl)c(cc1F)I	158
+c1(ccc(cc1I)F)C(=O)O	158
+c1c(I)nc(c(N)c1)C#N	9437
+c12ccc(O)cc1c(I)ccc2	158
+Clc1cc(I)cc(F)c1C#N	158
+COc1c(cc(Cl)c(I)c1)C(=O)O	158
+c1c(I)cc([N+]([O-])=O)c(C)c1	158
+c1cc(C(=O)OC)c(cc1I)OC	158
+COc1cc(c(F)cc1)-c2ccc(cc2I)C(=O)OC	158
+c1cc(Cl)c(Br)cc1I	158
+Oc1c(cccc1I)C(=O)C	158
+O(c1c(C)cccc1)CCCCCCCCI	1273
+O=Cc1cn(c2ccc(OC)cc12)CCCCCI	363
+c1cc(ccc1SCCCI)NS(=O)(=O)C	363
+C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O	572
+C(OC(COc1cccc(c1)CCCI)=O)C	572
+O=S(=O)(N(C)CCCC)CCCCCI	363
+O=S(=O)(Nc1c(OCc2ccccc2)ccc(C(O)CI)c1)C	1273
+CC(C)(n1ncc(c1)[N+]([O-])=O)CI	572
+C(OC(CCc1cc(c(F)c(c1)C(O)CI)F)=O)C	1319
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CCCI)CC2)=O)=O	572
+O=S(=O)(N)c1cc(ccc1C(OC)=O)I	158
+O=S(=O)(N)c1ccc(Oc2ccc(cc2F)F)c(I)c1	158
+S(c1c(c(Cl)ccc1)I)C	158
+Ic1c2[nH]cnc2ncn1	9438
+c1(C)cc(nc(I)n1)-c2cc(OCC)ccc2F	2531
+c1cnc2c(cc(C=O)cc2)c1I	9439
+c1(cc(I)c(C=O)cc1Br)F	158
+c1(OC)cc(I)cc(-c2cc(F)ccc2)c1	158
+c1(c(Cl)cccc1[N+]([O-])=O)I	158
+c1(cc2c(cc1I)CCC2)C#N	158
+O(CC)C(C(C)c1cc(C)c(I)cc1)=O	158
+c1(cc([N+]([O-])=O)ccc1I)O	158
+c1(c(OC)c(c(c(OC)c1C)CC=C(CCCI)C)C)C	363
+c1(cccc(F)c1Oc2ccc(cc2)I)F	158
+c1(nncc2c(c(C)ccc12)I)O	3377
+c1cc2c(cc1I)C(C2)=O	158
+c1c(I)cc2c(OC(=O)N2C)c1	158
+c12c(cccc1)C(=O)N(C2=O)C(CF)(C#N)CCCCI	572
+c1c(OC)c(cc(-c2c(F)cc(cc2)C(=O)OC)c1F)I	1202
+c1c(Br)c(c(cc1CC(O)C(OC)=O)Br)Oc2cc(I)c(c(C(C)C)c2)OC	158
+c1c(cc(cc1[N+]([O-])=O)C(=O)O)I	158
+c1c(C)c(c(cc1I)C)-c2c(C)cncc2C	158
+c1cc(I)c([N+]([O-])=O)cc1I	158
+c1c(cc(c(c1)CC)I)Br	158
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CC2)CCCCI)=O)=O	363
+c1cc(ccc1)-n2c3c(cc(C#N)cc3I)nc2	9440
+c1ccccc1C(c2c(OC)c(c(c(c2C)OC)C)C)CCCI	4750
+c1cc(ccc1)C(c2c(NC(CI)=O)cn(C)c2C)=O	4806
+c1cc(ccc1-c2ccc(N)c(I)c2)Cl	1202
+c1cc(ccc1-c2cc(c(cc2)O)I)C#N	1202
+c1cc(ccc1OC)-c2cc3c(cc2)[nH]c(c3I)C(=O)OCC	9441
+c12ccnn1c(-c3ccc(c(I)c3)O)c4c(n2)CCC4	1202
+c1cc(ccc1-c2[nH]c3ncc(c(c3n2)I)Cl)C(OC)=O	9442
+c1cc(ccc1I)C=CCO	2766
+CC(C)c1ccc(cc1)I	158
+c1cc(ccc1C(OCC)=O)-c2cc(c(cc2)OCCCI)-c3ccc4C(C)(C)CCC(C)(C)c4c3	1273
+ICC(COCCCCCCCC)OCCCCCCCC	1319
+c1cc(ccc1)COC(N(CC)CCCI)=O	1319
+C(CI)COCc1c(cccc1)OC	1319
+c1cc(ccc1I)CC(C)NC(=O)C	2766
+c1cc(ccc1I)CCCCCCCC	158
+c1cc(ccc1CO)CCI	363
+c1cc(ccc1CN2C(=O)c3c(C=C2)c(ccc3)I)F	158
+c1cc(ccc1Cc2ccc(cc2)-c3occn3)OCCI	363
+c1cc(ccc1I)Oc2c(Cl)ccc(c2)F	158
+c1cc(ccc1Oc2c(ccc(F)c2)F)I	158
+c1cc(ccc1)-c2cc(c(cc2)O)I	1202
+c1cc(ccc1CI)OC	9443
+c1cc(ccc1NC=C2c3ccccc3NC2=O)OCCCI	363
+c1cc(ccc1OCOC)C2(COc3c(C2c4cc(ccc4)OCCCCI)ccc(OCOC)c3)C	363
+c1cc(ccc1OCc2ccccc2)CCCCI	572
+c1cc(ccc1S(=O)(=O)n2c(cc3c2nccc3)-c4cn(c5c4nc(OC)c(c5)OC)CCI)C	363
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCI)c(OC)cc45)C)C	363
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCCI)c(cc45)OC)C)C	363
+c1cc(ccc1SC(c2ccc(OC)c(c2)OC)(C#N)CCCCCI)C	363
+Nc1ncc(F)cc1I	9444
+c1cc2c(c(Br)ccc2I)cc1	158
+c1ccccc1-c2cc(I)ccc2C(OC)=O	158
+c1cc(ccc1)-c2c(cc(I)cc2)OC	158
+c1ccccc1-c2ccc3OCCc3c2I	158
+c1ccccc1C(CCCI)=O	363
+c1ccccc1COc2cc(NC(=O)CI)ccc2OCc3ccccc3	4806
+c1ncc(-c2cc(Cl)c(I)cc2)nc1C	158
+c1(c(I)ncc(Br)c1)C	9445
+n1n(c2c(c1I)cc(cn2)[N+](=O)[O-])C	9446
+O1CCOC1CC2C(C)(C)C3(CC3C2)C	4320
+O=Cc1cc(cc2OCOc12)Br	9447
+O=S(=O)(C)N(C)c1cc2oc(c(c2cc1Br)C(=O)NC)C34C(CCC3)C4	9448
+n1c(Cl)cc(nc1I)Cl	1653
+c1cc(ccc1Cc2cc(Br)ccc2Cl)COC3CC3	9449
+c1cc(ccc1OC)Cn2c3c(nc2)c(nc(I)n3)Cl	1653
+c1cc(ccc1OC)Cn2cnc3c2nc(nc3-c4ccco4)I	1653
+n1cc(cnc1I)NC(c2cc(ccc2C)[N+]([O-])=O)=O	1653
+c1(F)c(C#N)nccc1I	916
+n1cc(I)c(O)c(C#N)c1	625
+c1(cccc(I)c1F)C#N	184
+N#Cc1cnc2c(cc(I)s2)c1Cl	2270
+C1c2c(cccc2F)NC(C(C1)I)=O	9450
+c1(-c2ncccc2)cc(Br)c(c([N+]([O-])=O)c1I)F	1252
+c1(C)c(N)cc(c(I)c1)F	184
+Nc1c(cc(I)cn1)C=O	625
+c1(ccc(-c2ccc(cc2C)C(=O)OC)cc1I)CC	1252
+c1(I)ccc(-c2cnn(C)c2)cc1[N+]([O-])=O	1252
+O1CCOC12CCC(CC2)N(c3cc(sc3C(=O)OC)I)C(=O)C4CCC(CC4)C	2270
+O=S(=O)(Nc1c2c(cccc2)c(O)c(c1)I)c3sccc3	3756
+c1cc(ccc1S(=O)(=O)n2c3c(cc2I)c4n(ncc4cn3)C)C	4807
+n1c(N)nc2c(c1O)ncn2C3C(O)C(C(CI)O3)O	343
+n1[nH]c(c2c([N+]([O-])=O)cccc12)I	538
+Ic1c(n[nH]c1)NC(=O)C	1419
+c1(c(N)c(I)nc(c1)C(OCC)=O)C	1463
+c1(C=O)cc2c([nH]nc2cc1)I	538
+c1c2c(-c3c(cc(cc3)CCC)CC2)ccc1I	184
+Ic1c(O)cc(c(Cl)n1)Br	1463
+Clc1cc(c(I)c(Cl)c1)O	184
+c1(Cl)nccn2c(ncc12)I	9451
+Ic1nc(ccc1N)Cl	1463
+n1[nH]c(c2cc([N+]([O-])=O)ccc12)I	538
+COc1cc(I)cc([N+]([O-])=O)c1N	184
+c1(I)c(n[nH]c1C)NC(=O)C	1419
+C(C1Sc2c(c(c(c(C)c2O1)C)OCOC)C)CCI	343
+n1[nH]c(c2c1cc(c(C)c2)[N+]([O-])=O)I	538
+Cc1c(c(O)nc(C)n1)I	2244
+Ic1c(c(Cl)nc(CO)c1)O	916
+c1(N2CC(OC2=O)Cn3cc(C)nn3)ccc(I)c(F)c1	184
+c1(C)cc(I)cnc1N	625
+c1(c(c(O)nc(n1)CC)I)Cl	2244
+O=S(=O)(NC1Cc2c(ccc(c2)I)C1)C(C)C	184
+[nH]1cc(I)c2cc(C(=O)O)ccc12	4616
+COc1cc(c(cc1F)-c2cc3n[nH]c(c3cc2)I)CC	538
+n1[nH]c(c2ccc([N+]([O-])=O)cc12)I	538
+c12cccc(OC)c1occ2CCI	343
+Fc1cnc2ccccc2c1I	916
+n1[nH]c(c2cc(-c3cnccc3)ncc12)I	538
+c1c(Br)c(O)c(I)cc1C(=O)OCC	184
+c1c(C)cc(c(N)c1[N+]([O-])=O)I	184
+c1c(OC)ccc2c1n(CC)c(I)c2C#N	9452
+c1c(OC)ccc2c(CCI)coc12	343
+c1c(cc(cc1[N+]([O-])=O)C(=O)O)I	184
+n1cc(I)c(c2c3ccccc3cc(OCCC)c12)O	625
+Nc1c(F)cc(cc1I)Br	184
+c1c(cc2cc(c(Cl)nc2c1)I)Br	625
+c1cc2NC(CCc2cc1I)=O	184
+c1c(I)c(cc(CCc2cc3c(cccc3)cc2)c1)F	184
+c12ncc(I)c(c1cccc2)O	625
+c1cccc2n[nH]c(I)c12	538
+c1c(OC)ccc2c1nn(C)c2I	538
+Cc1ccc(C)n1-c2nn(c(I)c2)-c3ccccc3	538
+Cc1ccc(C)n1-c2nn(-c3ccc(cc3)F)c(I)c2	538
+c1cc(ccc1)C(c2ccccc2)(CCCI)CC#N	343
+c1cc(ccc1)CC(C)(N(C)C)C(c2ccc(cc2)NCCCI)=O	343
+CC(C)(CI)COCc1ccccc1	343
+c1cc(ccc1)COc2c(CCI)cc(F)c(F)c2	343
+c1cc(ccc1)N(C(=O)C2=C3c4sc(I)cc4C=CN3C(=O)C(=C2)c5ccc(cc5)OCc6ccccc6)CCOC	2270
+c1cc(ccc1)S(=O)(=O)n2c3nccc(c3cc2I)OC	4807
+c1cc(ccc1-c2c(c(NC(=O)C)n(CC(=O)OCC)n2)I)F	1419
+c1c(OC)c(I)cc(c1)-c2cnc(cc2C)C(=O)OC	184
+CC(C)(CC(OC)=O)c1cc(c(cc1)OC)I	184
+c1c(cc(I)c(C)c1)Br	184
+c1cc(ccc1C2CC(=O)N(C2C(OCC)=O)C)I	1252
+c1(N)ccc(CC(OCC)=O)cc1I	184
+c1(I)cc(CCC(OC)=O)ccc1F	184
+c1cc(ccc1CCCC)C#Cc2ccc(c(F)c2CCC)I	184
+c1cc(ccc1Cl)-c2ncc(nc2)I	9453
+c1cc(ccc1N2C(CI)Cc3c(OC)c(OC)cc4ncnc2c34)Cl	9454
+c1(N)ccc(CCC)cc1I	184
+c1cc(c(I)cc1CCCO)O	184
+c1cc(ccc1CC2=C(C(Oc3c(c(ccc23)O)I)=O)c4c(Cl)cc(Cl)cc4)OCCBr	184
+c1ccc(cc1CCC(OC)=O)CI	4706
+c12cc(I)ccc1[nH]c3c2cccc3	184
+c1cc(ccc1)-c2nn(c(NC(=O)C)c2I)CC(=O)OCC	1419
+c1ccccc1C(c2cc(I)c(O)cc2)=O	184
+c1ccccc1C2CCC(CC2)CI	343
+c1ccccc1CCCCCCI	343
+c1ccccc1CCOCCCI	343
+c1ccccc1CNc2nc(N)nc(C)c2I	2244
+C(CCN(CCCC)c1ccc(cc1)I)C	184
+c1cc(ccc1I)N2C(=O)OC(C2)COS(=O)(=O)C	184
+Nc1ncc(cc1I)C(=O)OC	625
+c12c(ccc(c1)F)nc(c(c2O)I)CC	625
+Cc1nn(cc1I)-c2cc(F)cnc2	1419
+n1cccnc1C(F)(F)CI	343
+n1nc[nH]c1-c2c(Br)cc(I)s2	2270
+c1c2c(ccc1O)ncc(I)c2	9455
+CC(C)(C)OCC(CO)(COC)C1CCCCC1	4045
+c1(cc(C)ccc1C(C)O)OC(CC=C)C	9456
+c12c3ccccc3[nH]c1SCCC2C(C)O	4808
+c1ccccc1OCCC(O)C	4808
+c1ccccc1[Si](c2ccccc2)(OC3CC(C3)C(=O)C)C(C)(C)C	9457
+c1(ncn(-c2nc(cc(-c3cc(c(cc3)Cl)Cl)n2)C)c1)I	937
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5cc(nc(C)c5c(n4)I)Cl	2271
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5c(c(n4)I)cnc(Cl)c5	2271
+c1(ncc(Br)c(c1)Nc2ccccc2C(NOC)=O)Cl	2272
+c1(N)cc(I)c(C)nc1	13
+Ic1c(CO)cc(Br)cn1	9458
+N(=[N+]=[N-])Cc1c(I)cc(F)nc1	2324
+c1cc(ccc1NC(=O)c2cc(I)c(Cl)nc2)OC(F)(F)Cl	246
+COc1c(-c2cc(ncc2F)Cl)ccc(c1)F	1164
+O=S(=O)(C)C(CCN1C=C(C(=CC1=O)I)F)(C)C(OCC)=O	9459
+c1c(c(C#Cc2cccc(N)c2)ccc1)NC(=O)N	129
+c1(c(C)nc(C)c([N+](=O)[O-])c1O)C#N	9460
+c1cc(ccc1)-c2cc([N+](=O)[O-])cnc2O	796
+[N+]([O-])(c1cc(-n2nccc2)c(nc1)O)=O	2962
+Ic1c(ccnc1)C(=O)O	1
+c1cc(ccc1)C#Cc2c[nH]nc2NC(C)=O	1249
+c1(I)c2CCCNc2ncc1[N+](=O)[O-]	475
+c1ccccc1-c2c3c(nc(cc3)NC4c5c(CC4)cccc5)ccc2	9461
+Ic1c2c(cc(nc2n(C3CCCCO3)n1)Cl)C(=O)O	6
+c1c(-c2cc(ncc2NC)Cl)c(ccc1)Cl	1164
+c1nc(c([N+]([O-])=O)cc1I)NCc2ccc(OCc3ccc(nc3)OC)c(c2)OCC	70
+c1nc(c([N+]([O-])=O)cc1I)NCc2cc(c(OCc3ccc(nc3)OC)cc2)OC	70
+Ic1cc(ncc1)-n2nc(c3c2CCCC3)C(N)=O	247
+c12ncc(cc1NCCN2)I	15
+c1cc(ccc1)CN2C(=O)CNc3c2cc(cn3)I	9462
+c1ccccc1N2CCN3C2=NC=C(c4ccc(Oc5c6c(cc(I)s6)ncc5)c(F)c4)C3=O	680
+c1(cc(F)c(I)cc1)C(=O)N	216
+c1cccc(-c2cccnc2)c1OC	796
+c1cc(ccc1-c2sccc2)F	3082
+c1c(-c2c(C(OCC)=O)cn(c2)-c3ccnc(Cl)c3)c(ccc1)Cl	9463
+c1cc(ccc1C(=O)N2CCOCC2)-c3nn4c(cnc4cc3)C#Cc5cc(ncc5)Cl	4809
+c1cc(ccc1Cl)-c2ccnc(Cl)c2Br	1164
+c1c(I)ccnc1-n2c3cccc(F)c3c(C(=O)OC)n2	3275
+Ic1ccnc(O)c1C	2273
+c1cnc2c(c1I)cnn2-c3ccc(cc3Cl)F	4810
+c1cc(ccc1-n2ncc3c(ccnc23)I)F	4810
+O=S(=O)(C)C(CCN1C(=O)C(=C(C=C1)I)C)(C)C(OCC)=O	9464
+c1c([N+]([O-])=O)cccc1C#Cc2ccnc(SC)n2	4786
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4nc(SC)ncc4)C	4613
+FC(F)(COCc1ccccc1)Cn2cc(I)cn2	1593
+CC1(C)OC(CO1)Cn2cc(I)cn2	4811
+c1cc(ccc1)NC(N2Cc3c(cnn3CC2)I)=O	326
+c1nc(C)nc2n(nc(c12)I)Cc3c(F)cccc3	1485
+c1(OC)cc(cc(-c2c3c([nH]n2)ncnc3N)c1)F	920
+c1cc(ccc1-c2c3c(N)ncnc3[nH]n2)Oc4ccccc4	920
+c1ccccc1C2=NN(C(C=C2C(n3nc(I)c4c(N)ncnc34)C)=O)Cc5ccccc5	9465
+c1cc(ccc1-n2nc(I)c3c(N)ncnc23)[N+]([O-])=O	9466
+c1cc(ccc1Cl)-c2[nH]c(c(-c3ccc(cc3)Br)n2)-c4ccncc4	9467
+O=S(=O)(C)CC(C#N)(C)N	661
+O=C1C(NC(=O)N1)(c2cccc(Br)c2)c3cc(C)ccc3	9468
+c1cc(ccc1C#N)C2(CC3c4c(cccc4)Sc5ccccc35)C(NC(=O)N2)=O	3083
+c1cc(ccc1)COC(=O)C2CCC3(C(=O)NC(=O)N3)C2	4812
+c1cc(ccc1C#N)C2(COCC=C)C(=O)NC(N2)=O	3083
+c1cc(ccc1C2(C(=O)NC(=O)N2)C)Br	3083
+c1cc(ccc1Br)C2CCC3(NC(NC3=O)=O)C2	4812
+c1c2c(ccc1)CC3C(CCC(C#N)(N)C3)C2	661
+C1CC(CCN1Cc2ccccc2)(N)C#N	661
+c1cc(ccc1)COc2cc3CC4CCC(Cc3cc2)C4(C#N)N	661
+c1cc(ccc1)CN(CC(N)(C#N)CCc2ccccc2)C	661
+Nc1nc(C#N)c(nc1Cl)C#N	9469
+N1(CC(F)CC1C(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(=O)Cn4c5c(c(C(N)=O)n4)CCCC5	247
+Nc1c(Cl)ccc(C(=O)N)c1Cl	169
+c1(ccc(F)cc1N)C(=O)N	169
+Nc1c(cccc1Cl)C(=O)N	169
+Nc1c(nc(c(-c2ccncn2)c1)-c3occc3)N	664
+Nc1cccc(Cl)c1C(=O)N	169
+C(N)(=O)C1C(N)CCCC1	327
+C(N)(=O)c1c(OC(C)c2ccccc2Cl)cc(-c3cccnc3)s1	1355
+O(C)c1cc(cc(OC)c1)Nc2nc(Nc3ccccc3S(=O)(=O)C)c(cn2)C(=O)N	2757
+O(C)c1cc(cc(OC)c1C)C(N)=O	169
+C(CN1CCc2ccccc2C1)(CN)O	906
+c1(C(CC)C(N)=O)ccccc1I	83
+NC(=O)c1cc2c(CCCC2)c(c1OC)I	169
+O=C(c1cc([N+]([O-])=O)c(c(c1F)F)N)O	623
+NC(c1cc(-c2ccccc2[N+]([O-])=O)[nH]c1C)=O	393
+C=1(C(=O)NC(C=1c2cc(ccc2)[N+]([O-])=O)=O)c3c4ccccc4n(C)c3	9470
+Cc1cc(F)c(C#N)c(Br)c1	1767
+c1(c(cccc1OC)C#N)[N+]([O-])=O	1767
+O=S(=O)(C(c1cnc(C(N)=O)cc1C)c2cc(F)ccc2F)c3ccc(cc3)F	247
+O=S(=O)(c1cccc(C2CCN(CC2)CCC)c1N)C	623
+O=S(=O)(C)c1ccc(Oc2cc(OC)c3c(cc([nH]3)C(N)=O)c2)cn1	247
+O=S(=O)(C)c1ccc(cn1)Oc2cc(C)c3[nH]c(cc3c2)C(N)=O	247
+O=S(=O)(C)c1ccc(cn1)Oc2cc(OCC)c3[nH]c(C(N)=O)cc3c2	247
+c1(nccc(C=C2SC(NC2=O)=O)n1)N	1408
+c1(c(c(nc(N)n1)N)C#N)NC(C)c2nc3c(cc2-c4cscn4)n(cc3)C	1408
+n1n(c2c(cnc(N)n2)c1Br)C	1408
+O=S(=O)(CC)c1ccc(cc1)CN	1551
+O=S(=O)(CCC)Nc1c(F)c(c(cc1)F)NC(c2cccc3c(ncnc23)N)=O	266
+O=S(=O)(Cc1ccc2N(Cc3c4C(=CN(C(=O)c4[nH]c3C(N)=O)C)c2c1)c5ccc(cc5)Cl)C	247
+C1CCCC1CCS(=O)(=O)N	2565
+c1ccccc1CCS(=O)(=O)N	2565
+O=S(=O)(c1c(cccc1)C(=C)C)N	336
+O=S(=O)(c1cc([N+]([O-])=O)cc(c1F)C)N	336
+O=S(=O)(c1c(ccc(Cl)c1)OC)N	336
+O=S(=O)(c1cc(CCOC(C)=O)c(Br)c2cccc(c12)[N+](=O)[O-])N	336
+O=S(=O)(N)c1c(C(C)C)cc(Br)c(c1)C(C)C	336
+O=S(=O)(N)c1ccc(O)c(C(=O)O)c1	336
+O=S(=O)(c1ccc(c(c1)Cl)F)N	336
+O=S(=O)(c1cc(CC)ccc1Cl)N	336
+O=S(=O)(N)c1c(CCNC(=O)C)cc(Cl)cc1	336
+O=S(=O)(N)c1c(OS(=O)(=O)C)cccc1	336
+O=S(=O)(N(CC1COC(C)(C)O1)c2nc(Cl)nc(C(N)=O)c2)C	1134
+O=S(=O)(N(c1c2[nH]c(cc2ccc1)C(N)=O)C)c3cccs3	4813
+O=S(=O)(N)c1ccc(OC(C)C)c(c1)NC(=S)N	1099
+O=S(=O)(N1CCCc2ccccc12)c3cc(N4C(=O)Nc5cccc(C(=O)N)c5C4=O)c(Cl)cc3	169
+O=S(=O)(NCCCC(=O)N)C	728
+O=S(=O)(Nc1ccc(c(NC(=O)c2c3c(ccc2)c(ncn3)N)c1Cl)Cl)CCC	266
+c1cc(ccc1S(=O)(=O)N)C2CN(Cc3c2cc(cc3Cl)Cl)C	4814
+O=S(=O)(c1ccc(cc1)-c2c(-c3ccc(cc3)Cl)c(n4c2CCC4)C(OC)=O)N	4814
+C(Oc1c(cc(C2C=3C(CC(CC=3NC(=C2C#N)C)CCC)=O)cc1OCC)Br)CN	4782
+O=S(=O)(C)Oc1cccc(c1)C2(NC(N(C2=O)C)=N)c3cc(c(F)cc3)Br	9471
+O=S(=O)(N)c1c(C)ccc(C(O)=O)c1	336
+O=S(=O)(N)c1ccc(Br)cc1CC	336
+O=S(=O)(c1ccc(cc1F)F)N	336
+O=S(=O)(c1cc(C(=O)C)ccc1F)N	336
+O=S(=O)(N)c1c(nc(s1)Cl)C	9472
+O=S(=O)(c1cc(-c2c(nc(NC(=O)NCC)s2)C)ccc1OC)N	336
+O=S(=O)(N)c1cc(c(CCOC)s1)C	3084
+O=S(=O)(N)c1sc(c(c1)C)CCOC(=O)C	3084
+O=S(=O)(c1cc([N+]([O-])=O)c(cc1)N)C	623
+O=S(=O)(N)c1cc(c2c(OCCO2)c1)C(=O)O	336
+c1cc(ccc1CCNc2cc(nc(n2)OC)-c3cccc(S(=O)(=O)N)c3)OC	336
+O=S(=O)(c1ccc2c(CCN2C(C)=O)c1)N	336
+O=S(=O)(CC)c1c(CN)cc(cc1)C#N	1551
+O=S(=O)(c1cc2c(CC(NC(=O)C)C2)cc1)N	336
+O=S(=O)(c1cc(N2C(Nc3c(C2=O)c(C(=O)N)sc3)=O)ccc1)N4c5ccccc5CCC4	767
+O=S(=O)(c1cccs1)N(c2ccc(C)c3cc([nH]c23)C(=O)N)C	247
+O=S(=O)(c1cnc(Oc2cc(OC(COC)COC)c3c(cc(C(N)=O)[nH]3)c2)cc1)C	247
+O=S(=O)(N)c1cc(C)c(-c2ccc(OC)nc2)s1	3084
+O=S1(=O)CCC(c2c[nH]c3c(cc(cc23)Br)C(N)=O)C1	393
+O=S1(=O)CCCC(c2c3cc(cc(C(N)=O)c3[nH]c2)Br)C1	393
+OC1C(O)CN(C1)c2cc(C(=O)N)nc(n2)Cl	1134
+c1(cc(cc(n1)O)O)C	4315
+c1cc(ccc1Br)-c2ncoc2	4815
+c1ccccc1COc2c(cccc2)-c3cocn3	4815
+Oc1c2c3c(n(Cc4c(cccc4)Cl)c2ccc1)cccc3C(=O)N	666
+Oc1c2c3c(n(c2ccc1)Cc4c5ccccc5ccc4)cccc3C(=O)N	666
+c1cc([N+]([O-])=O)cc(c1)-c2cc3c(cc2)ccn3-c4ccnc(n4)N	9473
+S(C)c1cc(ccc1C(=O)N)F	169
+NC(=S)NCCCCC	4816
+NC(NC(c1c(c2cc(C)ccc2n1CC(OC)=O)C)=O)=S	4817
+NC(NC(c1n(CC(OC)=O)c2ccc(cc2c1)OC)=O)=S	4817
+c1(Br)c2n(cc(n1)C(=O)N)cc(C)n2	2232
+O=C(N)c1cc(c2sccc2c1)O	169
+n1cc2ncc(cc2c(Br)c1)C(=O)N	393
+c1(C)c(cc(cc1)C(=O)N)Br	169
+c1(cc(nc(N)n1)N)C	266
+c1(C)nc2c(NCc3c(C)cccc3CC)cc(cc2n1C)C(=O)N	169
+c1c(Cl)c(c(cc1SC)Cl)C(N)=O	169
+c1(Cl)ccnc(c1)C(=O)N	247
+Nc1n2c(ccn2)nc(Cl)c1	1994
+[N+](c1c(c(F)c(F)c(F)c1N)F)([O-])=O	623
+O=S(=O)(Nc1cc(F)cc(F)c1)c2cc(c(nc2)Cl)C(=O)N	393
+c1c(Oc2cccc3c2CNC3=O)c(Cl)cc([N+]([O-])=O)c1	4818
+c1([N+]([O-])=O)cccc(-c2nc(nc(c2C#N)N)SC)c1	266
+c1(nc(c(-c2ccncn2)cc1C#N)-c3occc3)N	664
+Nc1c(cc(c(F)c1)C#N)[N+]([O-])=O	623
+C(#N)c1c(N)c(ccc1F)F	623
+n1cc(Cl)c(cc1N)-c2nc(ccc2F)F	905
+Nc1c(C#N)c(Br)ccn1	1380
+NC(=O)c1cc(c(c(c1Cl)[N+](=O)[O-])Cl)F	1580
+O=C(N)c1c2c(c(C)c(C)[nH]2)c(cc1)Br	393
+C(Cc1c2cccnc2[nH]c1)N	2707
+C1N=C(c2cc(I)ccc2NC1=O)c3c(cccc3)Cl	9474
+c1(cc(OC)n(-c2c(cccc2)F)n1)C(=O)NC(c3ccccc3C)CC(N)=O	83
+NC(=O)c1cc(c(F)c(OCF)c1F)F	666
+c1(cc(cc(C)c1-c2cccc(CNc3cc(c(cc3)CCC(N)=O)F)c2)OCCOCC)C	83
+c1(cc(cc(C)c1S(=O)(=O)N)NC(=O)C)C	336
+c1(cc(N)cc(O)c1C)C(=O)O	4819
+c1c(c(ccc1C(=O)OC)-n2cc(nc2)C)OC	9475
+c1c2cc([N+]([O-])=O)c(N)nc2ccc1OC	4820
+Cc1c2c(cc([N+]([O-])=O)c(n2)N)ccc1	4820
+N1C(=O)c2c(c(ccc2Br)[N+]([O-])=O)C1	4818
+c1(ccc(F)c(c1N)F)[N+]([O-])=O	623
+Nc1c(F)c(ccc1Cl)C(=O)N	169
+O=C(N)CC(O)(c1cc(c(cc1)Cl)Cl)CC	728
+c1(cccc(c1)C2(C)N=C(COC2)N)Br	4791
+c1(cccc(c1)CC(N)=O)Br	327
+c1(ccccc1F)-c2ccccc2CC(N)=O	83
+c1cccc(c1C(C(=O)N)C)I	83
+c1(CCC(=O)N)ccnc(c1)C=2Sc3c(cccc3)C(N=2)=O	83
+c1(cnc(NC(NCC)=O)cc1C(=O)N)Br	666
+C(C)OC(=O)c1c(N)c2cc(OC)ccc2nc1	1724
+c12ccccc1nc(n2-c3nc(nc(n3)N)C)Cl	1342
+c1(C)cc(nc(Cl)n1)C(=O)N	247
+c1(nc(Nc2c(nnc(Cl)c2)C(=O)N)cc(C)c1)C	314
+c1(c(c(nc(SC)n1)N)C#N)NC(C)c2nc3c(cc2-c4ccnn4C)n(cc3)C	266
+c1nc(ncc1)-c2nc(c(c(N)n2)Oc3c(cccc3)OC)Cl	266
+c1(ncnc(Cl)c1-c2nnn(C)n2)N	266
+Cc1ccc2oc(C(=O)N)cc2c1	2633
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4CC(CCC4C)C(=O)N	83
+n1cc2C(N)CCCc2c(Br)c1	3721
+c12CCCCc1nc(c(c2)[N+]([O-])=O)N	664
+c12[nH]c(cc1cc(Oc3cnc(cc3)COC)cc2OC)C(=O)N	4813
+c12c(Br)cccc1c(N)nc(Cl)n2	266
+c12c(C(=O)N(C1=O)CCc3cc(C(N)=O)nn3CCC)cccc2	247
+C1CCc2c(ccc(OC)c2C1N)OC	474
+c12c(O)c(cnc1cc(c(OC)c2)F)C(=O)N	393
+c1(c(c(nc2ccccc12)Cl)[N+](=O)[O-])N	1724
+c12c3c(cccc3)nc(N)c1nc(CCC)n2CCC(NC)=O	461
+c1(n(Cc2cc(on2)-c3cccnc3)c4c5c(cccc5)nc(N)c4n1)CCC	461
+c12cc(n(c1c(cc(c2)F)Br)C)C(=O)N	247
+c12ccc(nc1ccc(c2)C(=O)N)C	666
+c12ccccc1nc(Cl)n2-c3ncnc(N)c3	266
+C1CCc2nc3c([n+]([O-])c4ccccc4c3n2OC1)N	574
+c1[nH]cc(C(=O)N)c1-c2c(c(Cl)ccc2)Cl	393
+c1c(Br)cc2CCC(N)Cc2c1	316
+c1c(Br)ccc2cc(C(=O)N)ccc12	169
+c1c(Br)ccc2cc(N)ccc12	4819
+c1c(C)c(c(cc1)C)Oc2c(cc3nc(-n4cc(C(=O)OCC)cn4)nc(c3c2)N)F	266
+c1c(C)nn(c1C)CC(=O)C=C(C)N	3580
+c1(N)ncc(C=CC=Cc2sc3c(n2)cc(c(OC)c3)OC)cc1	1380
+c1c(Cl)c(c(cc1Cn2cc(nn2)C(N)=O)Cl)Cl	9476
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2cccc(-c3c(-c4ccnc(n4)N)sc(C5CCOC5)n3)c2F	911
+c1(cc(cc(F)c1C(N)=O)OC)F	1580
+c1c(F)c(c(cc1OCC)F)Cn2c3CCCc3c(n2)C(=N)N	9477
+NC(=O)c1c(Nc2ccc(I)cc2F)cncc1-c3ccccc3F	2822
+c1c(c(cc(c1)NC(CC(N)=O)=O)F)OCc2cccc(F)c2	4821
+c1c(c(ccc1Br)F)C(Nc2nccnc2C(N)=O)=O	2232
+c1c(cc(C)c(c1)C(=O)N)Br	169
+c1c(cc(c(NC2=CC(=O)N(C)C=C2C(=O)N)c1)F)Br	9478
+c1c(cc(c(c1)Cc2c(nn(-c3c(Cl)ccc([N+]([O-])=O)c3)c2C(=O)N)CCCC)F)Br	1612
+c1c(cc2-c3nc(C(=O)N)sc3CCOc2c1)Br	9479
+C(C1Oc2c(CC1)cc(cc2)F)(O)CN	906
+c1c(cc2ccc(N)c([N+]([O-])=O)c2c1)Br	9480
+c1c(ccc(CCC(N)=O)c1F)F	83
+c1(cc(nc(n1)Cl)Cl)C(=O)N	1612
+c1c(ncn1-c2ncnc(N)c2)C	266
+Oc1c2c(cc([N+]([O-])=O)cc2)nc(n1)Cc3ccc(c(Cl)c3)Cl	4046
+c1c2CCC(C(N)=O)Oc2c3ccccc3c1	728
+C(c1c(c2ccccc2[nH]1)Cl)(=O)N	247
+c1c2c(ccc(C)c2)[nH]c1C(=O)N	247
+c1c2ccc(-c3c(Cl)cc(cc3)C(=O)N)nc2ccc1O	169
+NC(Nc1cc(ccc1OC)Br)=S	1099
+c1cc(c(cc1F)C(=O)N)[N+]([O-])=O	169
+c1ccccc1-c2c(NC(N)=S)ccc(C)c2	1099
+c1cc(ccc1)-c2oc(C3=CCCC3Cc4cccc(c4)C(N)=O)nc2-c5ccccc5	169
+c1cc(ccc1)C=2C(C(=O)N(c3nc4ccc(cc4s3)Cl)N=2)=CN	2876
+c1cc(ccc1)CC(O)CN	906
+c1cc(ccc1)CN(CC(C)(C)COC(=O)C=C(C)N)C	9481
+c1cc(ccc1)CN2CC(C(N)=O)CC2=O	327
+C1CC(CCN1Cc2ccccc2)(O)CC(=O)N	728
+c1cc(ccc1)C(CC(=O)N)NC(=O)C(C(O)C(O)C(CO)NC(=O)C(CC(C)C)NC(OCc2ccccc2)=O)O	83
+c1cc(ccc1)COC(N2CCC(CC2)n3c4c(cc3)ccc(C(=O)N)c4)=O	169
+c1cc(ccc1)COCC2n3c4c5ccccc5[n+](c(N)c4nc3COC2)[O-]	574
+c1cc(ccc1)CON2C(=O)N3C(C(N)=O)CCC2C3	83
+c1cc(ccc1)COc2cc(ccc2Cc3ccc(cc3)CC)CC(=O)N	83
+c1cc(ccc1CC(CCC(N)=O)NC(=O)CCCCCCc2ccccc2)OCc3ccccc3	83
+c1cc(ccc1)COc2cc(CCC(=O)N)ccc2	83
+c1cc(ccc1)Cc2cc(C(N)=O)ccc2	169
+c1cc(ccc1)Cc2ccc(nc2)C(N)=O	314
+c1cc(ccc1)Cn2c3cccc(C(N)=O)c3c4c(c5CCCCc5cc24)O	666
+c1cc(ccc1)Cn2cnc(C(=O)c3c(nccc3)N)c2	905
+c1cc(ccc1)Cn2c(C)cc(C(N)=O)n2	314
+Cc1nc(c2c(n(c(C)n2)CCOCCCc3cnccc3)c1C)N	3085
+c1cc(ccc1)S(=O)(=O)CCCc2n(CCCC)nc(C(N)=O)c2	247
+c1cc(ccc1-c2cc3c(cc2)[nH]cc3C#N)Br	4537
+c1cc(ccc1-c2ccccc2C#N)CC3=C(n4ncnc4N(C3=O)CC(=O)N)CCC	83
+c1cc(ccc1-c2cccnc2)-c3oc4c(n3)cccc4C(=O)N	2692
+c1cc(ccc1OC)-c2c3c(ncnc3n(C(C)C)c2)N	869
+c1cc(ccc1-c2c3c(cnc2)ccc(c3)C(=O)N)Cl	169
+c1cc(ccc1C(N)=O)-c2cnco2	169
+c1cc(ccc1C(N)=O)-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C	169
+c1cc(ccc1N)-n2c(cc3nc(c(C#N)c(O)c23)O)Cl	9482
+c1cc(ccc1-n2c3c(cnc(NC4CCC(C4)C(=O)N)n3)nn2)OCCOC	1360
+C1CCCC1(CC(=N)N)c2ccc(cc2)Br	4822
+c1cc(ccc1CC(C)N)Br	316
+c1cc(ccc1Br)N2C(=O)c3c(N)nc(C)nc3OCC2	266
+c1cc(ccc1Br)OCc2c3c(sc2)c(C(OCC)=O)cnc3N	1871
+c1cc(ccc1Br)S(=O)(=O)c2cnc(N)cc2	664
+c1cc(ccc1C2C=3NC(=O)NC(=O)C=3COC2)C#N	4823
+c1cc(ccc1OCC(C)N)C#N	316
+c1cc(ccc1OCCC(O)CN)C#N	906
+c1cc(ccc1C(=O)C)S(=O)(=O)N	336
+c1cc(ccc1C(=O)NS(=O)(=O)c2ccc(N)c([N+]([O-])=O)c2)-c3ccc(cc3)F	4651
+c1cc(ccc1C(N)=O)-c2cc(-c3cc(ccc3)[N+]([O-])=O)c(OC)cc2	9483
+c1cc(ccc1C(=O)C)C(=O)N	169
+c1cc(ccc1C(N2CCOCC2)=O)Nc3nc(Cl)ccc3C(=O)N	393
+c1cc(ccc1C(N)=O)-c2nnc(n2C)OC(C)c3nc(on3)-c4cccc(c4)Cl	666
+c1cc(ccc1C(OC)=O)CNc2nc(nc(NC3Cc4c(cccc4)C3)n2)N	1342
+c1cc(ccc1F)C(=O)c2c(nccc2)N	905
+c1cc(ccc1C(c2cc(OC)c(OC)cc2)=O)C(NCCOc3cccc(C(=N)N)c3)=O	4824
+c1cc(ccc1C2CCC=3C(=O)NC(=O)NC2=3)F	4823
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(c3cccc(c3)Cl)CC(CC(N)=O)(C)C1=O	83
+c1cc(ccc1C2N(CCC2)c3ccnc(c3)N)F	664
+c1cc(ccc1C=2N(C(c3cnn(-c4cc(ccc4)C(=N)N)c3N=2)=O)c5ccc(cc5)Cl)-c6cnc(cc6)N	4824
+c1cc(ccc1C=CC(=O)N)OC(F)F	2045
+c1cc(ccc1C(=O)N)CC(=C(C(=O)OC)C(C)C)C(OC)=O	2822
+c1cc(ccc1CC2(C(C)(C)CN(CC2)CCCOc3ccc(Cl)cc3C(N)=O)O)Cl	666
+C1CC(CCC1C(N)=O)N2C(=O)C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)n5ncnc25	83
+c1cc(ccc1CCC(=O)N)N	327
+c1cc(ccc1COc2c(cc(Br)cc2)CN3CCC(CC3)(CN)O)Cl	906
+c1cc(ccc1COc2cc(ccc2)OCc3c4c(ncc(c4sc3)C(=O)OCC)N)Cl	1871
+c1cc(ccc1Cl)Cc2c(C#N)c(-c3ccnc(c3)NC(=O)C)sc2C(=O)N	767
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4c(c(ncn4)NC5CCN(CC5)Cc6cc(ccc6)C(N)=O)c3	169
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4ncnc(NC5CCN(CC5)c6ccc(cc6)CC(=O)N)c4c3	83
+c1cc(ccc1NC(Nc2ncccc2OCc3c(Cl)cccc3)=N)Cl	3051
+c1cc(ccc1Cl)SC2CN(C2)C(N)=O	9484
+c1cc(ccc1Cn2c3ccc(F)cc3c(c2CCC(=O)N)C)-n4cncc4	83
+c1cc(ccc1Cn2c3ccc(OC)cc3c(CC(C)CC(N)=O)c2C)Br	83
+c1cc(ccc1Cn2c3c(c(C(=N)N)n2)cccc3)OC	9485
+c1cc(ccc1Cn2c3ccccc3nc2CC4CCN(CC4)CCNC(=S)N)F	4816
+c1cc(ccc1F)-c2cc(Cn3c(nc4c(nc5ccccc5c34)N)CCC)on2	3379
+c1cc(ccc1F)-c2nc3n(c2)c(c(s3)C(N)=O)C	1169
+c1cc(ccc1F)-c2csc3ncnc(CCCCOc4cncc(C(N)=O)c4)c23	2682
+c1cc(ccc1F)-c2c(cnn2C3CCCCC3)C(N)=O	1356
+c1cc(ccc1F)-n2c(-c3cn(cn3)-c4ccc(cn4)C(=O)N)c(nn2)C	393
+c1cc(ccc1F)COCC2n3c4c5ccccc5[n+](c(N)c4nc3COC2)[O-]	574
+c1cc(ccc1F)Oc2ccc(cc2)-c3nc(NC(C(=O)N)C)cc(Cl)c3	327
+c1cc(ccc1N2CCN(CC2)c3nc(-c4ccccc4)c(C(=O)N)s3)OC	4130
+c1cc(ccc1-c2noc(C(N)=O)c2)O	2633
+c1cc(ccc1O)-c2nc(C(=O)N)cs2	9486
+c1cc(ccc1O)C(c2ccc(cc2)O)=C(CC)c3ccc(cc3)OCC(=O)N	83
+c1cc(ccc1Br)OC(C)C(=O)N	83
+c1cc(ccc1N(C(=O)CN)C(C)C)OC	9487
+c1cc(ccc1S(=O)(=O)N)OC	336
+c1cc(ccc1OCC(C)N)OCC=C(C)C	316
+c1cc(ccc1OCC2CCN(CC2)C(=O)C=Cc3cnc4c(c3)CC(C(=O)N)C(=O)N4)F	4821
+c1cc(ccc1OCCOc2cc3CCCCc3cc2)CC(C(=O)OC)C(N)=O	9488
+c1cc(ccc1OCc2cccc(F)c2)N3CC(C(=O)N)CC3=O	83
+c1ccccc1COc2ccc(cc2)C(N)=O	169
+c1cc(ccc1Oc2ncnc(N)c2)[N+]([O-])=O	266
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(c2)cc(C(N)=O)[nH]3	247
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(cc([nH]3)C=4SC(CN=4)CC(=O)N)c2	83
+c1cc(ccc1F)C2CCC(C(=O)N)N2S(=O)(=O)c3ccc(cc3)C	327
+c1cc(ccc1CCC(=O)N)[N+]([O-])=O	2168
+c1cc(ccc1[N+]([O-])=O)COC(=O)N2C(CC(OS(=O)(=O)C)C2)COCC(N)=O	83
+c1cc(ccn1)-c2cc(N)c(s2)C(=O)N	767
+c1cc(ccn1)-c2sc(c(NCC)c2)C(=O)N	767
+c1cc(ccn1)-c2cc(c(s2)C(=O)N)NCCCC	767
+c1cc(nc(Cl)c1OCOC)C(=O)N	247
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(C)c(C(N)=O)n(C)n3)c1N4N=NN(C4=O)C	1612
+c1(Nc2nc(OCC)ccc2)c(nnc(Cl)c1)C(=O)N	314
+c1ccc2c(c1)C(=O)N(C2=O)CCc3ccc4nc(N)c5nc(CCOC)n(c5c4c3)CCCN6C(CCC6)=O	461
+c1cccc(c1OCCC)-c2nc(cc(n2)C(N)=O)O	314
+c1cc(ccc1)-c2c3c4c(C(CC3)N)cccc4[nH]2	474
+c1ccccc1-c2c(nnc(c2)N)Cl	1969
+c1ccccc1-c2nn(CC(=O)N)c3C(=O)N(c4ccc(cc4)Cl)C(=Nc23)c5ccc(cc5)C(C)C	83
+c1c(C)c(c(cc1CCC(=O)c2sc(c(-c3ccccc3)c2)C)C)OCC(O)CN	906
+c1cc(ccc1C#N)-c2nc3c(cc2-c4ccccc4)c5nnc(CO)n5cc3	1767
+c1cc(ccc1)-c2cccc(CN)c2	9489
+c1cc(ccc1)-c2c(c(ncc2)N)[N+]([O-])=O	664
+c1ccccc1-c2nc3c(ccc(-c4c5c(nccn5c(n4)C)N)c3)cc2	522
+c1cc(ccc1)-n2c3c(ccc(C#N)c3)nc2	1767
+c1ccccc1-n2c3ncnc(N)c3c(I)c2	869
+c1ccccc1-c2nc([nH]c2)CC3COCc4ccccc4CN3S(=O)(=O)c5c6c(ccc5)cccn6	2841
+c1ccccc1C(Nc2ccc(C#N)c(Br)c2)C(=O)N	83
+c1ccccc1-c2nc(C3CCCCC3Cc4cccc(c4)OC)oc2-c5ccccc5	9490
+c1cc(ccc1)C(N)CNC(C2CC(CCC2C(C)C)C)=O	474
+c1ccccc1C(C)N2CCC(C2C(N)=O)CN=[N+]=[N-]	327
+c1ccccc1C(Nc2ccc(c(OCc3c4c(N)ncc(C(OCC)=O)c4sc3)c2)C)=O	1871
+c1cc(ccc1)C2(c3ccccc3)C=Cc4c(n[nH]c4C2)C(N)=O	247
+c1ccccc1C2=CCN(CCCC(=N)N)CC2	4822
+c1ccccc1C2CC3(c4c(ccc(c4)Br)O2)N=C(N)N(C)C3=O	9491
+c1ccccc1C2N3C(=O)N(C(=O)C3(C)Cc4c2[nH]c5ccc(OC)cc45)CCCN	2707
+c1ccccc1C=2CCN(CCCCN(C(OCC)=O)c3c(C(=O)N)ccc(c3)[N+]([O-])=O)CC=2	169
+c1ccccc1CCN2C3CC(CC2CC3)=C(c4ccc(cc4)C(=O)N)c5ccccc5	1580
+c1ccccc1CN(Cc2ccccc2)C3COC(C(N)=O)CC3	83
+c1ccccc1CN2C(=O)N(CC2)c3sc(C(N)=O)c(C)n3	1169
+c1cc(ccc1)CN2CC(O)(CC2)CN	906
+CCC1(CC)C(CCN(Cc2ccccc2)C1)N	316
+C1CC(CCC1c2nc(c3c(N)nccn23)I)CNC(OCc4ccccc4)=O	522
+c1ccccc1COC(N2CCCC2c3nc(Br)c4n3ccnc4N)=O	522
+c1ccccc1COC(N2C(CCC2)c3oc4c(cccc4C(N)=O)n3)=O	2692
+c1ccccc1COC(NC(Cn2c3c(ccc4oc(C(N)=O)cc34)cn2)C)=O	9492
+c1ccccc1COC(NC2C(=O)N3N(CCCC3c4nc(-c5ccc(cc5)Br)c[nH]4)C(=O)CC2)=O	4165
+c1ccccc1COC(Nc2cccc(c2C)-c3c4c([nH]c5cc(OCCOC)ccc45)c(nc3)C(=O)N)=O	2268
+c1ccccc1-c2c(-c3c[nH]c(COCc4ccccc4)n3)c(C)on2	9493
+c1ccccc1COc2ccc(c(c2OC)[N+](=O)[O-])C#N	1767
+c1ccccc1COc2c(cc(cc2)CC(N)=O)C	83
+c1ccccc1COc2c(cccc2CC(CSCCC(N)=O)O)C3CCCC3	327
+c1ccccc1COc2cc(cc3[nH]c(C(=O)N)cc23)C	314
+c1ccccc1COc2cc(ccc2)-c3nc(n4ccnc(N)c34)C5CC(C5)CO	522
+c1ccccc1COc2ccc(Cl)cc2Cn3c(C)cc(C(N)=O)n3	247
+CC(C)(Cn1c(COCC)nc2c([n+]([O-])c3cc(ccc3c12)OCc4ccccc4)N)NS(=O)(=O)C	574
+c1ccccc1COc2ccc3c(n(-c4sc(c(n4)-c5cc(ccc5)Cl)C(N)=O)cn3)c2	1169
+c1ccccc1COc2c(c(ncc2)N)[N+]([O-])=O	905
+c1ccccc1Cn2c3ccc(cc3c4c(cc(-c5c(C)noc5C)cc24)C(N)=O)OC	169
+c1cc(ccc1)Cn2c3cccc(C(N)=O)c3c4c(O)cccc24	666
+c1ccccc1N2C(=O)c3c(C=C2C(Nc4c(cnc(n4)N)I)C)cccc3-c5cn(nc5)C	911
+c1ccccc1-c2nc(Nc3ccccc3)nc(n2)N	1342
+c1ccccc1OCC2OCCN(S(=O)(=O)c3c(C(=O)N)[nH]c4c(N)cc(Cl)cc34)C2	314
+c1ccccc1Oc2c(NS(=O)(=O)C)cc3OC(C(N)=O)=CC(c3c2)=O	9494
+c1ccccc1Oc2cc3c(N)c(C(=O)OCC)cnc3cc2	1724
+c1ccccc1SCCCCCn2c(nc3c(N)nc(C)c(C)c23)C	3085
+c1cc(ccc1)C#CCOCCn2c(C)nc3c(N)nc(c(c23)C)C	3085
+c1ccccc1Sc2c(C(=O)N)cccc2	1580
+c1cccn1-c2cc(c(Cl)cc2)C(N)=O	169
+c1n(c2c(c(ncn2)N)n1)C3CC(C=C3)CO	1095
+c1c(-c2cn(-c3ccnc(Cl)c3)cc2C(N)=O)c(ccc1)Cl	393
+c1nc(c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C)C(=O)N	2268
+c1nc(C(=O)N)c2n1-c3ccc(cc3C(N4C2CC4)=O)F	2268
+c1(N)ncc(c(n1)-c2n(C)c(C)nc2)F	911
+c1nc(ncc1)-c2c(N)nccc2	905
+c1ncncc1-c2cc(OCc3cccc(N)n3)nc4CCCCc24	905
+c1ncncc1Cn2nc(c3cc(cnc23)F)-c4nc5c(nn4)C(C)(C)C(=O)N5	9495
+Clc1ccc(c(Cl)c1)C=2NC(=O)c3cc(nn3C=2)C(=O)OCC	4270
+c1(c2ccc(cc2n(CC)c1)C(=O)OC)C(=O)N	393
+n1(c(c(C(=O)N)cn1)-c2ccc(-c3c(C)cnc(OC)c3C)cc2F)C4COCC4	1356
+C(CCCCC(NC)=O)CCCCCCn1c(nc2c(N)nc3ccccc3c12)CCC	461
+C(C)(O)C#Cc1nc(c2c(n1)n(cn2)C)N	1095
+O(c1c(ncc(N)n1)C(=O)N)C	2232
+c1cc(ccc1-c2c(Cl)ncnc2N)C	266
+c1(ncnc(Cl)c1-c2noc(n2)C)N	266
+Nc1c(ncnc1N)Cl	266
+Nc1c(nc(nc1Cl)C)N	266
+c1ccccc1CSc2nc(c(c(N)n2)[N+]([O-])=O)Cl	266
+C(OC)CCNc1nc(Cl)cc(n1)N	266
+c1(Cl)nc(c2ccccc2n1)N	266
+O(n1nnc2c1cccc2)c3nc(NC(c4ccc(F)cn4)C)c(C(=O)N)cn3	1906
+O(n1nnc2c1cccc2)c3nc(Nc4cccc5c4ccn5C)c(cn3)C(=O)N	1906
+n1c(nc(cc1NCC(C(N)=O)O)C(=O)N)Cl	327
+n1c2c(ccc1)cc(cc2)C(=O)N	666
+c1nc(ncc1-c2ccc(cc2)F)N	911
+n1ccnn1-c2c(C(N3CC(C(N)=O)CCC3C)=O)cccc2	83
+n1n2CCCC(c2c(c1C(=O)N)[N+](=O)[O-])=O	1134
+o1c(Br)ccc1-c2nc(-n3nccc3)cc(n2)N	266
+s1c(C)ccc1C(=O)N	767
+s1c(ccc1C(=O)C)CC(N)=O	327
+c1(sc(c(c1Br)C#N)Br)C(=O)N	767
+C(CC1CN(C(=O)C)c2cc(C)cc(C)c12)C#N	830
+Cc1ccc(c(F)c1)C#N	1879
+c1(c(C)cc(cc1Br)F)C#N	1879
+Nc1c(cc(cc1[N+]([O-])=O)F)C#N	160
+Nc1ncc(C#N)c(Cl)c1	2189
+Nc1ncc(C#N)c(F)c1	2189
+O(C)C(OC)CN(C1CCCCC1)C(CCOCCc2cccc(C#N)c2)=O	160
+O(CC)C(C(C)c1cc(C)c(cc1)C#N)=O	1013
+O(CC)C(C(C)c1ccc(nc1)C#N)=O	577
+O1CCOC12CCC(CC2)(c3ccc(nc3)C#N)O	9496
+O1c2c(OC1)c(Cl)cc(CC#N)c2	177
+O1c2cc(CC#N)cc(F)c2OC1	177
+c1c(cc2CCC(c2c1)(C#N)CC#N)F	9497
+C(OC)(=O)NC1(C(CC#N)C1)c2cc([N+]([O-])=O)ccc2	300
+C1CC(CCC1CC#N)Nc2c([N+]([O-])=O)cnc3ccsc23	300
+CC(C)C(CCC#N)c1c(OC)ccc(c1)C	300
+c1cc(ccc1)COc2c(c(ccc2)C(OCC)=O)CCCC#N	300
+N#CCc1ccnc(Br)c1	1686
+O=S(=O)(C)c1cccc(c1)-c2ccc(s2)-c3n(nc(CC#N)c3)-c4ccccc4Cl	1461
+c1cc(ccc1Oc2cc(C#N)nc(C)n2)CS(=O)(=O)NC	2266
+O=S(=O)(c1cc(ccc1)C(O)CC#N)NC2CCCCC2	830
+C1CC(CCC1)CC(=O)Nc2c(ccc3c2ccc(N4CCC(C#N)C4)n3)Cl	4444
+C1CC(CCC1COC=C)CC#N	300
+c1(NC(C)=O)c(c(CC#N)c(Cl)cc1)F	1686
+c1cccc(-c2ccc(CC#N)c(C)c2)c1Cl	1686
+O=S(=O)(c1c(c(Cl)ccc1)Cl)Nc2c(nc(cn2)C#N)OCc3cnccc3	9498
+O=S(=O)(c1cc(ccc1)C#N)c2cnc(C=Cc3ccc(cc3F)F)cc2	160
+O=S(=O)(c1cccc(-c2c3c4cc(cnc4[nH]c3c(C#N)nc2)C)c1)CC	4092
+O=S(=O)(Cc1ccc(C#N)c(OC)c1C(=O)O)c2ccccc2	160
+O=S1(=O)c2c(C(c3ccccc3)NC(CC)(C1)CCCC)cc(c(CCCC#N)c2)OC	300
+c1cc(OC)cc(OC)c1C(CCCCC)CC#N	2771
+C(CC1Oc2c3ccc(O)nc3c(C)cc2C1)C#N	913
+C(C#N)c1cc(C)c(SC)cc1F	177
+[N+](c1cc(CC#N)cc(Br)c1)([O-])=O	163
+c1(c([N+]([O-])=O)cc(C)c(C#N)c1)OC	1879
+Cc1cc(ccc1C#N)C(=O)C	9499
+C(C#N)c1c2c(ccc1C)cccc2	177
+c1(C)cccc(C)c1CNc2cccn3c(C)c(CC#N)nc23	9500
+c1(CC)c(ccc(CC#N)c1)Br	177
+N#CCc1c(C)nccc1	1716
+N#Cc1cc(CO)c(Cl)s1	9501
+c1c(Cl)c(c(cc1CC#N)Cl)Oc2cc3c(C(C)C)c[nH]c3cc2	163
+C(C#N)c1c(cc2OCOc2c1)F	177
+c12c(c(ccc1)O)cc(c(C#N)c2)F	160
+c1(I)cc(ccc1F)CC#N	163
+c1(OC)cc(CC#N)cc(Br)c1	163
+c1(OC)cc(F)cc(CC#N)c1	177
+c1(c(-c2ccc(s2)Cl)nn(c1)C(C)CC)-c3cc(C#N)ncc3	577
+c1ccc(c(OC)c1CC#N)Oc2c(F)cccc2	163
+c1(c(F)c(c(c(OC)c1)F)N2Cc3cnc(cc3C4(CC4)C2=O)C#N)OC	577
+c1(c(F)ccc(CC#N)c1)[N+]([O-])=O	163
+C(C#N)CCC(=CCc1c(OC)c(c(c(OC)c1C)C)C)C	1409
+c1(c(CCCC#N)cc(c2ccccc12)OC)OC	1409
+c1(c2c(c(ccc2)C#N)cc(Cl)n1)O	160
+c1(cc(F)ccc1)-c2cc(nc(n2)C)C#N	2266
+c1(OC)cc(cc(OC)c1OC)CC#N	177
+c1(cc(CC#N)cc2c1OCO2)OC	177
+c1cc(CC#N)cc2c1OCCO2	177
+c1(cc2sc(C#N)nc2cc1)NCCCC	9502
+C(C#N)c1ccc(C)c(C)c1	177
+c1c(CC#N)cnc(C)c1	1716
+c1(ccccc1Cl)Oc2ccc(c(CC#N)c2)OC	177
+c1(ccccc1Oc2c(OC)c(ccc2)CC#N)C	177
+c1(c2CCCC(c2ccc1)=O)C#N	160
+c12N(C3CN(CCC3C)c4ccnc(n4)C#N)C(Nc1cnc5[nH]ccc25)=O	738
+n1c(c2ccc(cc2cn1)-c3c(C)ccc(c3)C(=O)OC)C#N	2660
+c12c(ccc(C#N)c1nccc2)[N+]([O-])=O	2779
+c12c(cccc1)cc(c(c2)C)CC#N	163
+n1cc2c(cc[nH]2)c(C#N)c1	9503
+C(=C1c2cccc([N+]([O-])=O)c2C=C[N+]1=O)=[N-]	9504
+c1c(C#N)ccc2C(N(C3(C)CCC(=O)NC3=O)Cc12)=O	160
+c1c(C#N)ccc2C(N(C3CCC(=O)NC3=O)Cc12)=O	160
+c1c(C)oc(c1)CNc2ccc3c(cccc3C#N)n2	9505
+C(c1cccc2ccc(OC)cc12)C#N	177
+Clc1cc(cc(Cl)c1CC#N)Cl	177
+c1(Cl)cc(cc(Cl)c1)CC#N	177
+c1c(nc2c(C(CCC2)=O)c1)C#N	577
+c1c(F)c(c(cc1OC)F)CC#N	163
+C1(CC)Oc2c(OC1)ccc(C#N)c2	1013
+c1c(OC)c(Cl)ccc1CC#N	163
+C(C#N)c1cccc([N+]([O-])=O)c1C	177
+c1c(c(C2(O)C(=O)Nc3ccc(cc23)C#N)ccc1)OC	1013
+C(C#N)c1cccc(Cl)c1C	177
+C(C#N)c1cccc(c1F)OC	177
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5c(ccc(C#N)c5)-c4n3)c1F)F	160
+c1c2c(cc(CC#N)c1)CCC2	177
+c1(CC#N)ccc2C(Cc3c(Sc2c1)cccc3)=O	163
+c1c2c(nc(-c3cc(c(CC#N)cc3)-c4cc(ccc4)C#N)o2)ccc1	163
+FC(F)(C(F)F)Oc1cc(ccc1)Nc2nccc(C3=CC(=C=[N-])[N+](C=C3)=O)n2	9506
+c1cc(ncc1Br)CC#N	1461
+C(C#N)c1ccc(cc1C)F	177
+C(C#N)c1ccc(Cl)nc1Cl	1716
+c1cc(CO)cc(c1OC)C#N	160
+c1cc(Cl)c(cc1CC#N)C(=O)O	163
+c1cc(cc(CC2COC(=O)N2CCC)c1OC)C#N	160
+c1cc(C#N)cc(C)c1OC(C)=O	160
+c1cc(CCC#N)cc2CC(Nc12)=O	913
+c1cc(ccc1)-c2c(CN)c(CC(C)C)nc3ccc(cc23)C#N	160
+c1cc(ccc1)-c2c3ccc(cc3no2)CC#N	163
+c1cc(ccc1)-c2onc3c2cccc3CC#N	1689
+c1cc(ccc1)C(CC(OCC)=O)Nc2c([N+](=O)[O-])ccc(n2)C#N	577
+c1ccccc1C(c2cc(ccc2)OC)CCC#N	830
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)C(c4cc(cc(F)c4)C#N)C(C)(C)F	160
+c1cc(ccc1)CN2CCC(C2)CC#N	913
+c1cc(ccc1)NC2(CCN(CC2)Cc3ccccc3)C#N	1621
+c1cc(ccc1)CN2c3c(c(nc(CC#N)n3)N)NC2=O	9507
+c1cc(ccc1)COC(=O)N2CC(OCC2)CCC#N	913
+c1cc(ccc1C2(c3ccc(cc3)F)CCC(CC2)N4CCC(CC4)(C#N)Nc5ccccc5)F	1621
+c1cc(ccc1)Oc2c(c(CC#N)ccc2)OC	163
+c1cc(ccc1)Oc2cccc(n2)C#N	1704
+c1cc(ccc1)S(=O)(=O)c2cccc3cc([nH]c23)C(=O)Nc4c(-c5nnn[nH]5)cc(C#N)cc4	1013
+c1cc(ccc1-c2c(cc(C(=O)c3occc3)s2)CC#N)F	9508
+c1cc(ccc1-c2cncnc2C#N)C	2266
+c1cc(ccc1C#N)-c2nc(N3C(COC3=O)CF)sc2	160
+c1cc(ccc1-c2nc(c3cccc(C#N)c3c2)O)CN4CCN(CC4)C	160
+c1cc(ccc1C#N)-n2nc(c(C=O)c2C)C	160
+c1cc(ccc1C2CC2CC#N)Br	2771
+c1cc(ccc1C#N)C2CC3(C(N(C(N3)=O)C)=O)CC2	160
+c1cc(ccc1Br)CCc2c(CC#N)cccc2	163
+c1cc(ccc1CC=C(C)C)C(C)C#N	3583
+c1cc(ccc1C(C2CCC2)=O)CC#N	163
+c1cc(ccc1C(=O)c2cc(CC#N)ccc2)Cl	163
+c1cc(ccc1C)S(=O)(=O)N2c3c(C(CCC2)CC#N)cccc3	1409
+CC1(CCC(CC1CCC#N)OC(=O)C)C2CCC3(C)C(CCC3C2OC(C)=O)=C	677
+c1c(cc(CCCC#N)c(F)c1)Br	677
+c1cc(ccc1C(=O)c2cccs2)CC#N	163
+c1cc(ccc1CC(C(C)O)c2cccc(C#N)c2)Cl	160
+c1cc(ccc1CC#N)Sc2c(O)nc(nc2C)N	177
+c1cc(ccc1CN2C(=O)N(N=C(OC)C2=O)c3c(CC#N)cccc3)Cl	163
+c1cc(ccc1CC#N)Cc2c(C)nc(N)nc2NCCCCC	177
+c1cc(ccc1Cc2c(OCc3ccccc3)cccc2)CC#N	177
+c1cc(ccc1Cl)-n2c(-c3c(ccc(C#N)c3F)F)c(nc2)Cl	160
+c1ccccc1Oc2cc(ccc2F)C(OC(=O)C3C(C=C(c4ccc(cc4)Cl)Br)C3(C)C)C#N	9509
+c1cc(ccc1Cl)Cn2c(nc3nc(C#N)nc(NC(C)C4CC4)c23)-c5c(ccc(C)c5)OCCC=C	738
+c1cc(ccc1Cl)N2c3c(N=C(C#N)C2=O)cccc3	9510
+c1cc(ccc1C#N)Oc2ncc(cc2)C	4741
+c1cc(ccc1F)-c2ccc(cc2)C(=O)NC3CCc4c(C3)ccc(C#N)c4	160
+O=S(=O)(c1ccccc1)n2c3ccccc3c(-c4nc(ncc4C#N)NC5CN(CC5)C(c6ccc(cc6)N)=O)c2	9511
+c1cc(ccc1N2CCN(CC2)C)Nc3nc(c(CC)nc3C(=O)N)Oc4cc(C#N)cc(c4)[N+](=O)[O-]	160
+c1cc(ccc1OCCc2ncc(CC#N)cc2)[N+]([O-])=O	1716
+c1cc(ccc1Oc2ccc(cc2CC#N)C)C	177
+c1ccccc1COCC2C(CC=CC2)CC#N	677
+N#CCC1Cc2c(cccc2)OC1	677
+c12ccccc1OC(CC2)CCC#N	677
+O1c2c(cccc2)CC1CCC#N	677
+c1c2NC(CCc2cc(C#N)c1)=O	1013
+c1cc2c(cc(cn2)C#N)cc1CO	1684
+c1cccc2c1c(c3ccccc3c2C=O)C#N	160
+c1cc2c(ccc(NC(C)=O)n2)cc1CC#N	163
+c1cc2ccc(nc2c(c1F)CC#N)OC	1689
+c1ccc(nc1-c2cccc(n2)C(OC)=O)C#N	1704
+C(C#N)c1cccc(OCCOC)c1OC	177
+c1ccccc1-c2n(c(nc2-c3ccccc3)-c4ccccc4)CCCCCCCC#N	830
+c1ccccc1-c2onc3ccc(cc23)CC#N	163
+c1ccccc1-c2ccc(-c3nnc(N(CCOC)C)n3-c4ccccc4C#N)cn2	160
+c1ccccc1-n2nc(CC#N)c(c2)C	1461
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CC#N	163
+c1ccccc1C(CCCC#N)c2c(C)c(c(c(C)c2OC)C)OC	1409
+c1cc(ccc1)C2C(CC#N)CC(=O)N2C	677
+c1ccccc1C=2N(CC(NC(C(C#N)O)Cc3ccccc3)=O)C(=O)C(C(C)C)N(C(C)=O)C=2	2069
+c1ccccc1CCCCCCC(O)C#N	2069
+c1ccccc1COc2cc(CC#N)cc(c2OC)F	177
+c1ccccc1COc2c3n(CCOC)c(nc3cc(C#N)c2)C	2627
+c1ccccc1COc2c(OC)c(cc(c2)F)CC#N	177
+c1ccccc1COc2ccc(CC#N)cc2[N+]([O-])=O	177
+c1ccccc1COc2ccc(cc2)N(c3ccc(cc3)C(CC#N)C)C	300
+c1ccccc1COc2ccc(cc2)N3C(=O)CC(CC#N)C3	913
+c1ccccc1COc2cc3c(C#N)nc(C(=O)OCC)c(c3cc2)O	1704
+c1cc(ccc1)Cc2c(CC#N)cccc2	163
+c1ccccc1N2C(=O)c3c(C=C2C(C)Nc4nc(ncc4C#N)N)cccc3-c5cn(nc5)C	9512
+c1ccccc1OCc2cc3c(ccc(C#N)c3)o2	1013
+c1ccccc1Sc2ccc(Br)cc2CC#N	177
+c1ccccc1Sc2c(cc(cc2)F)CC#N	177
+c1ccccc1Sc2ccc(cc2C)CC#N	177
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCc3cc(CC#N)ccc3	177
+c1nc(ncc1)-c2cc(CC#N)ccc2	163
+c1nc2Nc3cc(CC#N)ccc3Sc2nc1	177
+n1(ncc2cc(C#N)c(C)cc12)CCCC(OCC)=O	160
+c12c(nc(nc1c(NC)nc(n2)C#N)NCCC)NC	9513
+c1nc(ncc1Br)C#N	738
+c1(cccc(F)c1C(COc2c(nccc2)Br)N)F	4825
+c1(c(cc(cc1C(C)N)Cl)OC)OC	4825
+c1(oc(nn1)-c2ccc(C)cc2C)N	3086
+Nc1nc2c(cc(C)c(c2C)[N+]([O-])=O)[nH]1	2932
+c1c(Cl)cc(cc1Oc2c(n(Cc3nnc(o3)N)nc2CC)CC)Cl	1517
+c1(C)cccc(C)c1Nc2n3c(nc2-c4c(cccc4)-c5nnc(N)o5)ccc(F)c3	3086
+n1n2c(N)nnc2c(c(CC)c1Cl)C	4826
+c1cc(ccc1)N(CCCCCCCCOc2cccc3ccccc23)C#N	1201
+c1cc(ccc1)OCC2N=C(N)OC2	4827
+c1cc(ccc1NC#N)Br	9514
+c1cc(ccc1C2(CCN(CC2)C(c3cc(-c4oc(N)nn4)c(cc3CC)C5CCC5)=O)F)C#N	3086
+c1cc(ccc1Cl)Nc2ccc(cc2)CCC3NC(=N)OC3	4828
+c1cc(ccc1Cc2nnc(o2)N)F	1517
+c1cc(ccc1CCC2NC(OC2)=N)NS(=O)(=O)c3cccc4cnccc34	4828
+c1ccccc1C(CCC2COC(N)=N2)C	4827
+c1ccccc1S(=O)(=O)Nc2cccc(Sc3ccc4c(CN(C(N)=N4)CCC)c3)c2	2637
+c1ccccc1S(=O)(=O)Nc2cccc(c2)S(=O)c3ccc4N=C(N)N(Cc4c3)CCC	2637
+O(CC)c1cc2nnc(N)n2nc1OCC	4826
+O(C)c1c(C(N)C)cc(c(F)c1Br)Cl	1354
+O(c1cccc(c1)F)C2=CC=C[N+](=O)C2=C=[N-]	9515
+CCOC(=O)c1c(C)nc(-c2cccnc2)[nH]1	9516
+C1CCC(C1)c2n(CC(OCC)=O)c(c(Cc3ccccc3S(=O)(=O)N4CCCC4)c2C#N)C	4671
+C(C#N)c1cccc([N+]([O-])=O)c1C	9517
+O=[N+]1C=CC=C(Cl)C1=C=[N-]	9518
+N#CCc1ncc(Br)cc1Cl	9519
+Clc1cc(c(c([N+]([O-])=O)c1C)-c2cc(F)ccc2)C(C)N	1354
+C(#N)CC(O)c1cc(ccc1)O	3692
+c12cc(ccc1cncc2)C(CC#N)=O	3075
+C(c1ccccc1Br)(CC#N)=O	3075
+C=1(C)[N+](=O)C(=C=[N-])C(=CC=1)Br	9520
+c1cc(cc(c1)F)-n2c(C(N)C)cc3c(Cl)cccc23	9521
+c1cc(ccc1)-c2c(F)cc(C(C)C(CC#N)=O)cc2	2479
+c1ccccc1C(c2ccccc2)(O)CC#N	9522
+CC(C)(c1cc2cnn(c2cc1)-c3ccc(cc3)F)C(C)(C)C(=O)N	3536
+c12cc([N+]([O-])=O)ccc1[N+](=O)C(C=C2)=C=[N-]	9523
+C1(c2csc(-c3ccc(c(OCC)c3)OCC)n2)=CC=CC([N+]1=O)=C=[N-]	9524
+c1ccccc1COc2ccc(C(=O)CC#N)c(c2)F	4245
+c1cc(ccc1)CC2=CC=CC(=C=[N-])[N+]2=O	9525
+C(C(OCC)=O)n1nnc(C#N)c1	9526
+N#CC(C#N)=C(NCCSCc1c(C)nc[nH]1)NCCSCc2sc(nn2)N	3237
+Clc1cc(Nc2[nH]nc(N)c2C#N)ccc1	4829
+c1cc(ccc1)Nc2c(C#N)c([nH]n2)N	4829
+c1cc(ccc1C=2C(C)(C)OC(=C(C#N)C#N)C=2C#N)-n3nnc(-c4ccc(cc4)N(CC)CC)c3	2274
+N#CC(C#N)=C1C(=C(c2ccc(cc2)N=[N+]=[N-])C(C)(C)O1)C#N	1870
+c1cc(ccc1OC)-n2c(N)c(C#N)cn2	9527
+Clc1ccc(c(Cl)c1)-c2c(CN)c(nc(-c3cc(c4ccn(c4c3)C)OC)n2)N	4780
+c1cc(ccc1I)C(OC)=C(C#N)C#N	3240
+c1c2c(ccc1)nccc2Nc3sc(N)c(C(N)=O)n3	3087
+c1cc(ccc1Nc2nc(C(=O)N)c(N)s2)OC	3087
+c1(sc(Nc2cc3cccnc3cc2)nc1C(=O)N)N	3087
+C1CCC(C1)(CN)CN	9528
+O=S(=O)(c1ccccc1[N+](=O)[O-])OCC(=O)N2CC(CC2C#N)F	9529
+C1C(C(c2ccc(cc2Cl)F)O)C1C#N	74
+O=S1(=O)CCCN1CC23CC4C(CC(C2)C4)(C3)NCC(=O)N5C(C#N)CCC5	402
+c12c(cccc1)C(=O)N(C2=O)CC34CC5CC(NCC(=O)N6C(C#N)CCC6)(C(C5)C3)C4	402
+c1cc(ccc1F)C(N2CC(CCC2)C#N)=O	115
+C(CN1CC(CC1CO)O)C#N	987
+CCP(CCC#N)(=O)O	4332
+Cc1cc(cc(C)c1Br)C=CC#N	858
+c1(cc2c([nH]c3c2cccc3)cc1)C=CC#N	1046
+c1(cccc(C(=O)O)c1)NCCC#N	3041
+c1c2c(CCCN(CCC#N)C)c[nH]c2ccc1	987
+c1c2c(ccc1)CC(CCNCCC#N)CO2	1287
+c1cc(ccc1)NCCC#N	3041
+C(Cn1cnc(c1)[N+](=O)[O-])C#N	9530
+c1cc(ccc1)COc2nccc3c2c(N)nn3C(CC#N)C	9531
+C(#N)COc1c(C=O)cccc1C	489
+O=S(=O)(C(C)C)NCC(C)c1ccc2cc(OCC#N)ccc2c1	489
+O=S(=O)(C)NCCc1cc2ccc(OCC#N)cc2cc1	489
+O=S(=O)(N)c1ccc(NC2CCN(CC#N)C2)c(c1)[N+]([O-])=O	1576
+Cc1cc(cc(C)c1OCC#N)Cl	489
+C(#N)Cn1c2c(ccc([N+]([O-])=O)c2)cc1	9532
+N#CCOc1cc(c(OC)cc1)OC	489
+c1cc(ccc1)Cc2c3c(n(C)c2-c4ccccc4)ccc(-c5ccc(cc5)OCC#N)c3	489
+c1cc(ccc1-c2ccc3c(c2)c(CCCCC)c(n3C)-c4ccccc4)OCC#N	489
+c1cc(ccc1OCC#N)C=2C=CC(N(C=2)Cc3c(cc(Cl)cc3)F)=O	489
+c1cc(ccc1OCC#N)-c2cc3c(c(n(C)c3cc2)-c4ccccc4)C	489
+c1ccccc1-c2n(c3c(c(-c4ccc(cc4)OCC#N)ccc3)c2C)Cc5ccccc5	489
+c1cc(ccc1OCC#N)-c2ccc3n(Cc4ccccc4)c(C)c(C)c3c2	489
+c1ccccc1Cn2c3cccc(OCC#N)c3c4cc(C)ccc24	489
+c1ccccc1S(=O)(=O)n2ccc3cc(cnc23)-c4nn(cc4-c5nc(SC)ncc5)CC#N	4497
+C(C(=Cc1cc2c(n[nH]c2cc1)CC)C(C)=O)#N	9533
+c1cc(ccc1NC(=O)CC#N)-c2ccc(c(n2)O)C(O)=O	26
+[N+]([O-])(=O)c1ccccc1C=C(C#N)C(=O)N	2204
+c1cc(ccc1Cl)-c2c(-c3c(Cl)cc(cc3)Cl)nc(O)c(c2)C#N	2213
+c1cc(ccc1C)-c2c(-c3c(Cl)cc(cc3)Cl)nc(c(C#N)c2)O	2213
+c1cc(ccc1-c2c(-c3c(Cl)cc(cc3)Cl)nc(c(C#N)c2)O)F	2213
+c1cc(ccc1Cl)C(c2ccc(cc2Cl)Cn3nnc(C(=O)N)c3N)=O	4621
+c1ccccc1C=2c3c(-n4c(nnc4CN=2)CC#N)ccc(Cl)c3	1447
+C=C(C)CN1C(NC(=O)C=C1N)=O	9534
+c1(c(cc(c(Cl)c1)OC)NC(CC#N)=O)Cl	33
+Cc1cc(C)c(cc1)CNC(CC#N)=O	9
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(n(CC5CCCN5C(=O)CC#N)n3)ncnc4N)F	10
+C(C1CCCN1C(CC#N)=O)n2c3ncnc(N)c3c(n2)-c4c(cc(Oc5cccc(c5F)F)cc4)F	10
+c1cc(ccc1-c2c3c(n(CC4CCCN4C(=O)CC#N)n2)ncnc3N)Oc5cc(F)cc(c5)F	10
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CN(CCC4)C(CC#N)=O)Oc5c(ccc(F)c5)F	10
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CN(CCC4)C(CC#N)=O)Oc5cccc(F)c5	10
+c1cc(ccc1Br)-n2c(Cl)cc(NC(CC#N)=O)c2C(OCC)=O	469
+c1cc(ccc1F)NC(C2(CC2)C(=O)Nc3cc(c(cc3F)Oc4ccnc(NC(=O)CC#N)c4)F)=O	142
+c1cc(ccc1OCCOC)C(NC(=O)CC#N)CC	9
+c1cc(ccc1OCOC)C(NC(=O)CC#N)CCC	9
+c1cc(ccc1-c2nn(C3CCCN(C(CC#N)=O)C3)c4c2c(ncn4)N)Oc5c(cccc5)F	10
+c1ccccc1Oc2cc(c(-c3c4c(n(CC(C)NC(=O)CC#N)n3)ncnc4N)cc2)F	9
+c1ccccc1Oc2cc(c(cc2)-c3nn(CC4CCCN4C(=O)CC#N)c5ncnc(N)c35)F	10
+Cc1c(-c2csc(CC#N)n2)sc(N)n1	9535
+c1cc(ccc1)-c2csc(n2)CC#N	963
+c1cc(ccc1-c2c(c(nc(c2C#N)N)S)C#N)OC3CCOC3	3239
+c1c2c(ccc1)CC(CCN)CO2	51
+c1cc(ccc1)-c2cc(CCC#N)n[nH]2	9536
+c1(OCCCCC#N)c(c(O)c(cc1)C(c2c(O)cccc2)=O)CCC	8
+CC(C)N(C(=O)c1ccc(cc1)-c2occc2)Cc3ccccc3OCCCCC#N	8
+C(=C)Cn1c2C(N(C(=O)N(CCCCC)c2nc1Cl)CCCCC#N)=O	1474
+c1cc(ccc1)CC(=O)Nc2nnc(CCCCC#N)cc2	4723
+n1c(CCl)nc(c2cc(C)ccc12)O	9537
+c12sc(Br)cc1nc(CCl)nc2O	9538
+c1cc(ccc1C)CC(C)(C)NC(CCl)=O	4286
+C(Cl)c1nc2c(c(n1)O)cc(OCC)c(OCC)c2	9539
+Oc1nc(nc2c1cccc2)CCl	9540
+c1ccccc1C(c2c(Cl)c(c(OCC#N)cc2)Cl)=O	3798
+c1ccccc1C2(c3ccccc3)CCN(CC2)CC#N	1321
+O=C(NCC#N)n1cncc1	2483
+C(CCN(CCN)C)OC	51
+c1cc(ccc1C(NC(C(NCC#N)=O)Cc2nccs2)=O)-c3c(Cl)cccc3	1007
+O(Cc1sc(N)nn1)c2ccc(OC)c(OC)c2	3054
+N=C(Cc1cccnc1)NO	609
+C(C(=O)O)c1ccco1	459
+C(OC(=NC#N)CC#N)C	9541
+c1(nc2ccc(cc2[n+]([O-])n1)O)N	4830
+NC(N)=Nc1ccc(c(c1)S(=O)(=O)N2CCOCC2)C	4755
+C1CN(CCN1C)c2ccc(cc2)Nc3nc(c(C(c4cc5OCOc5cc4)=O)s3)N	4652
+n1[n+]([O-])c2ccccc2nc1N	4830
+c1ccccc1COc2cc(ccc2)NC(=N)N	9542
+C(c1c(c(-c2ccc(c(c2)Cl)Cl)[nH]c1Cl)Cl)#N	9543
+N#Cc1c(Cl)cc(cc1)-c2c(n(Cc3ccc(C(=O)O)nc3)nc2C)C	1
+N#Cc1c(Cl)cc(cc1)-c2c(n(Cc3ccc(nc3)C(NN)=O)nc2C)C	1726
+N(c1c(C#N)ncc(NC(C)C(N)=O)n1)c2cc3c(nc2)cccc3	9544
+Nc1n[nH]c2c1cc(I)cn2	1448
+N1(c2c(cccn2)C#N)CCc3c(nc(o3)-c4ccccn4)C1	43
+O=S(=O)(N(CCNc1c(C#N)nccc1)C)C	2849
+NC(=O)c1c(NC2C(CCCC2)C)c3cc(cn3nc1)[N+]([O-])=O	745
+C1CCC(Nc2c3cccn3ncc2C(=NO)N)C(C1)C	4610
+N#Cc1c(Nc2ccc(c(Cl)c2)Sc3nccn3C)c4cc5c(cc4nc1)cc(OCCCl)c(OC)c5	267
+c1(nnn[nH]1)-c2ccccc2O	424
+n1c(ncc(C#N)c1O)Nc2cccc(OC)c2	1334
+N#Cc1c(c(c2ccccc2c1)CBr)OC	9545
+c1c2c(c(cnc2c(cc1N)Cl)C#N)Nc3cc(Cl)c(cc3)F	0
+N#Cc1c(c2cc(N)cnc2nc1)Nc3cccc(c3)Br	13
+c1ccc2c(c(C(=O)OC)sc2c1)N	9546
+c1ccccc1COc2ccc(cc2)N=C(c3c(Cl)cccc3)N	1748
+NC(=O)c1c2c(N)ncnc2n(C3OC(CO)C(C3O)O)c1	745
+c1cc(ccc1Cn2c3ccccc3c(C#N)n2)OC	823
+NCc1c2c(c(OC)ccc2)ccc1	107
+N#Cc1cc(C=O)c(Cl)s1	2873
+c1(c(cc(C#N)c(c1)F)F)COc2cc(c(Cl)cc2)Cl	22
+N#Cc1cc(F)c(cc1F)CCO	95
+c1(cc(F)c(cc1F)C#N)CN	18
+NC(=O)c1cc(c(c(Br)c1F)F)F	2265
+CN(C)C=Nc1c(cc([N+](=O)[O-])c(c1[N+]([O-])=O)C)C#N	2275
+O=S(=O)(OCc1c(cc(C#N)c(F)c1)F)C	7
+c1(Br)cc2c(N)noc2cc1COc3cc(c(Cl)cc3)Cl	2134
+Nc1n[nH]c2c1cc(C#N)cn2	1448
+C1c2cc(nc(c2C(N1)=O)Nc3cc4c(c[nH]n4)cc3)NC5CCCCC5N	2798
+C1Cc2nc(O)ccc2-c3c1cccc3	2203
+NC(=O)c1cc-2c(nc1O)CCc3ccccc-23	4831
+N#Cc1c(c(CO)c2ccccc2c1)OC	49
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C#N)s3	4079
+N#Cc1ccc(Oc2ccc3B(O)OCc3c2)cc1C(=O)O	1
+Sc1c(c(c(C#N)cc1)C)C#N	1180
+N#Cc1ccc2c(c(-c3c4ccccc4ccc3)cc(N)c2)n1	0
+CCOC(=O)Nc1cc2c(c(c1)-c3c4ccccc4ccc3)nc(-c5nnn[nH]5)cc2	4832
+O=S(=O)(n1cccc1C#N)CC	4070
+O=C(c1c2CCCc3c(-c2ccc1)cccc3)O	9547
+c1(ccccc1CNc2ccc3c(cccc3n2)C(=NO)N)OC	253
+C(#N)c1c(-c2cc(N)ccc2)cccc1	11
+N#Cc1ccccc1Nc2nn3c(n2)cnc(-c4cccc(c4)C(=O)OCC)c3	490
+c1cccc2[nH]c(C(=O)OCC)c(N)c12	9548
+N#Cc1ccccc1Nc2nn3c(n2)cnc(-c4cccc(C(=O)O)c4)c3	6
+c1(oc2ccccc2c1N)C(=O)OC	9549
+N#Cc1ccccc1Oc2cc(c(C)cc2O)-c3cccs3	809
+N#Cc1ccccc1Oc2c(O)cc(cc2)C	5
+N#Cc1n(C)cc(c1)[N+](=O)[O-]	9550
+n1c(c(C=O)cn1-c2c(C#N)cccn2)C	2488
+N#Cc1c(O)ncc(I)c1	583
+c1(ccnc(C)c1)C(=O)C	9551
+N#Cc1ccnc(c1)NN	383
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)-c5nccc(c5)C#N	4451
+c1ccccc1COC(N2C(CCC(C2)Nc3nccc(c3)C#N)C)=O	182
+c1cc(ccc1)COc2n(nc(C)c2)-c3cc(ccn3)C#N	9552
+c1cc(ccc1OC)-c2n(-c3cc(C#N)ccn3)ncc2	2974
+c1ccccc1-c2n(ncc2)-c3cc(C#N)ccn3	2974
+c1cc(ccc1-c2sccc2C#N)Br	3082
+N#Cc1c(c2c(ncc([N+]([O-])=O)c2)nc1)Nc3cccc(c3)Br	698
+c1nc2c(c(Nc3cc(c(Cl)cc3Cl)OC)c1C#N)cc4cc(c(OCCCl)cc4c2)OC	179
+c1nc2cc3cc(c(OC)cc3cc2c(Nc4cc(c(Cl)cc4Cl)OC)c1C#N)O	179
+N#Cc1c(Nc2ccc(c(Cl)c2)Sc3nccn3C)c4cc5c(cc(c(OC)c5)O)cc4nc1	179
+c1(cc(-c2cc3c(ncc(C#N)c3Cl)s2)ccc1)C=O	3082
+N#Cc1c(c2cc(sc2nc1)I)Nc3cc(c(Cl)cc3Cl)OC	2844
+N#Cc1cnc2cc(c(OCCCC)cc2c1Nc3cc(c(Cl)cc3Cl)OC)OCCOC	179
+c1(N)cc(C#N)n(C)c1	13
+Nc1c(C#N)nc(Cl)cc1NC	13
+Nc1c(C#N)ncc(C)c1	13
+Brc1ccnc(CN)c1	421
+O=C(N)c1nccc(CO)c1	2835
+Cc1ccccc1-c2ccnc(C#N)c2	699
+Nc1c2ncccc2sc1C(=O)OC	9553
+Clc1c([N+]([O-])=O)cc(C)c(c1)C#N	9554
+c1(OC)c(OC)nc(C#N)cc1	4094
+c1(c(c(cc(C#N)c1N)F)F)CSC	1926
+c1cc(ccc1)COc2c(Oc3ccc(cc3Cl)Cl)cc(c(Cl)c2)C#N	1926
+c1ccccc1CNC(=O)c2c(C)cc(s2)C#N	9555
+c1cc(ccc1C(c2cncc(C#N)c2)=O)Cn3ncc(c3)C	9556
+N(=C(C(=O)O)c1c(C)sc(NC=O)n1)OC	1274
+N(C=O)c1sc(c(C(C(=O)NC2C(=O)N3C(=C(CSc4scnn4)CSC23)C(=O)O)=NOC)n1)C	471
+N(=C(C(=O)O)c1csc(NC=O)n1)OCC	1274
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(C(=NOCCC)c4nc(sc4)N)=O)=O	471
+N(=C(C(=O)O)c1csc(NC=O)n1)OCCCC	1274
+O=S(=O)(O)N1C(=O)C(C1COC(=O)N)NC(=O)C(=NOCCN=[N+]=[N-])c2nc(sc2)N	471
+c1cc(ccc1[N+]([O-])=O)COC(=O)C2=C(CSC3N2C(C3NC(C(c4csc(NC=O)n4)=NOCC)=O)=O)O	471
+N(C=O)c1scc(C(=NOCC)C(=O)NC2C(=O)N3C(=C(CSc4scnn4)CSC23)C(=O)O)n1	471
+N(=C(C(=O)O)c1csc(NC=O)n1)OCCN=[N+]=[N-]	310
+c1cc(ccc1[N+]([O-])=O)COC(=O)C2=C(CSC3C(C(N23)=O)NC(=O)C(c4nc(NC=O)sc4)=NOCCCC)Cl	471
+N(=C(C(=O)O)c1c(C)sc(N)n1)OC	3
+N(=C(C(=O)O)c1csc(N)n1)OC	3
+N(=C(C(OCC)=O)c1csc(N)n1)OCCN=[N+]=[N-]	310
+N(=C(C(=O)O)c1csc(N)n1)OCCN=[N+]=[N-]	3
+c1c2CCCC(Nc2ccc1)=O	9557
+c1(NC(NCCCCC)=O)cc2C(=O)N(Cc3ccc(c(c3)Cl)Cl)C=Nc2cc1	406
+CN(C)S(=O)(=O)c1c(c(NC(Nc2cccc(c2Cl)F)=S)ccc1Cl)O	773
+c1(cc2c(-c3c(c([nH]n3)Nc4cccc(F)c4)C2)cc1OC)OC	9558
+C(CN)NC(=S)Nc1c(CC)c2c(ocn2)cc1	1167
+CONCc1cccc(F)c1	1059
+c1ccc2c(nn(n2)-c3cc(ccc3O)CCO)c1	4833
+C(c1cc2c(F)c(Cl)ccc2[nH]1)(=O)OC	9559
+C(NC(C)CN)(=O)OC	18
+C(OC)(Cn1c(Cl)nc(c1)[N+](=O)[O-])CN	18
+O=S(=O)(C)OC(c1c(F)cnc(Br)c1)(CN=[N+]=[N-])C	7
+C1(C(OC(C1O)n2c3c(c(nc(N)n3)O)nc2)CN)O	18
+NCC1Cc2c(cccc2)C(N1)=O	18
+c1(ccccc1C(=O)NCCN=[N+]=[N-])I	93
+OP(O)(=O)CCN=[N+]=[N-]	228
+NCc1c(cccc1)I	18
+CCc1c(CN)cccn1	18
+CCCOc1c(O)cc(CN)nc1	18
+c1c(cc(Cl)c(CBr)c1)Br	4597
+n1cc(ccc1F)-c2c(cnc(NC(NCC)=O)c2)Br	9560
+c1cc(ccc1C(CCCCCl)c2nnc(Nc3ccc(-n4ncnc4C)c(c3)F)[nH]2)F	4792
+C1(=O)c2c(NC1=O)c(C)ccc2	1418
+C1(=O)C(=O)c2cc3c(cc2N1)CCC3	4834
+C(C)OC(C=1C(NC(=O)N(c2cc3c(N(C(S3)=O)C)cc2)C=1)=O)=O	9561
+N(C(=O)OCc1cc2c(OCO2)cc1)C3=NC(=O)N(CC(O)=O)C=C3	3
+O=S(=O)(N1CCN(CC1=O)C(=O)CN2C(=O)NC(C=C2)=NC(OCc3cc4OCOc4cc3)=O)c5nc6ccccc6s5	9562
+c1(c(OC)c(ccc1)CNCCCC)OC	162
+C(c1ccc(Cl)c2nc(Nc3ccc(cc3C)C(=O)N)n(c12)CCCO)(=O)OC	3023
+n1c(cc(c(Nc2nc3c(Cl)ccc(C(=O)OC)c3n2CCCO)c1)C)OC	3023
+C(CCCCCCCCCCN1C(=S)NN=N1)(=O)O	9563
+c1(ccccc1COc2cc([N+]([O-])=O)c(c(C)c2)NC(C)=O)C(OC)=O	22
+c1c(N)cc(NC(C=C(OC)C)=O)cc1	0
+c12C(=O)C(Nc1c(Cl)cc(c2)F)=O	4834
+C1(=O)c2c(NC1=O)c(c(Cl)cc2)C	1418
+N(c1cc(C)ccc1N)C(CCC)CC(OCC)=O	0
+c1cc(ccc1C2C3=C(C(NC(=O)O3)=O)CC2)F	9564
+c1cc(ccc1C#N)C2C=3OC(=O)NC(=O)C=3COC2	9565
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CN3OC(=O)NC3=O	4771
+N(C(c1cc(C(=O)O)ncn1)=O)Cc2cc(c(cc2)F)C	1
+NNC(C(NC(c1sccc1)=O)C)=O	743
+c1cc(ccc1CC(Nc2ccc(cc2Cl)N(Cc3ccc(Cl)s3)C)=O)Cl	26
+N(C)C(COc1cc(C#N)ccc1CNC(=O)c2cc([N+]([O-])=O)c(c(Cl)c2)F)=O	14
+N(C)C(COc1cc(C#N)ccc1CNC(=O)c2cc(N)c(c(Cl)c2)F)=O	0
+c1cc(ccc1NS(=O)(=O)C)CC(=O)N(C(COc2c(C)c(C)ccc2)C)C	10
+C(=O)(c1ccccc1Nc2ccc3c(c2)n(C4CCCCO4)nc3C(NC)=O)O	1
+c1cc(ccc1CNC(=O)C=2C(=O)c3c(c(c(CN(C)CC(O)c4c[nH]c5c4cccc5)s3)C)N(C)C=2)Cl	822
+O=S(=O)(c1sccc1)N(c2cc3c4c([nH]c3cc2)nccc4Cl)C	9566
+CN(c1nc(Cl)ncc1)c2cc3c[nH]nc3cc2	860
+CN(c1cc(C)ccc1)c2nc(N)nc(C#N)n2	3036
+O=S(=O)(NC1C2C(OC1)C(CO2)Nc3c(Cl)cnc(n3)Nc4cn(C)nc4)C	111
+O=C(C(=NOCC(OCC)=O)c1csc(N)n1)NC2C(N3C2SCC=C3C(=O)O)=O	999
+S(CC1=C(N2C(=O)C(NC(=O)C(=NOCC)c3csc(N)n3)C2SC1)C(=O)O)c4scnn4	999
+O=C(C(=NOCCCC)c1csc(N)n1)NC2C(=O)N3C2SCC(Cl)=C3C(=O)O	999
+C(OCCON=C(C(=O)NC1C(N2C1SCC=C2C(=O)O)=O)c3csc(N)n3)C	999
+C(ON=C(C(=O)NC1C(N2C1SCC=C2C(=O)O)=O)c3csc(N)n3)c4ccon4	999
+N(=C(C(=O)O)c1csc(NC=O)n1)OCc2ccon2	9567
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(=O)C(=NOCC(=O)OCC)c4nc(NC=O)sc4)=O	471
+O(C(=O)CCCCC(=O)N(CCCCCCC)CC)C	58
+N1c2cccc(Cl)c2N(CCCO)C1=O	9568
+N(C(=S)Nc1cnc(cc1C)OC)c2c(NCCCO)c(C(=O)OC)ccc2Cl	9569
+N(CCCO)c1c(Cl)cccc1N	0
+O(C)CCCn1c(NC(c2cc(ccc2)C#N)=O)nc3c1c(C(OC)=O)ccc3	9570
+N(CCCOC)c1c(C(=O)OC)cccc1N	0
+CCCCCCCCCCCC(=O)NCCN=[N+]=[N-]	9571
+n1(CCO)cnc2cccc(Br)c12	1449
+N(CCO)c1c(Br)cccc1N	0
+N(c1c(Cl)c(F)ccc1N)CCO	0
+O(CCN=[N+]=[N-])CCOCCOCCN	18
+NCc1c2c(ccc1)cccn2	18
+c1c(c(-c2nnsc2)ccc1)CN	18
+c1cncc(CNc2c3nc(ccc3ccc2)-c4cnccc4)c1	4835
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(=O)N(Cc3nc4CCOCc4c(O)n3)Cc5sccc5	10
+c1ncncc1-c2onc(-c3cnncc3)n2	9572
+c1c(C)c(cnc1)-c2c3c(ncc2)c(no3)N	9573
+c1cc(ccc1)N(c2c3n(ccn3)nc(c2)-c4cc5c(noc5cc4)N)Cc6ccc(cc6)OC	2134
+c1(cc(ccc1)F)-c2cc(nc(n2)C)C=3NOC(=O)N=3	1988
+CCc1cc(cnc1CC)-c2nc(no2)-c3cc(C)c(c(CC)c3)O	1828
+c1(-c2noc(n2)C)cc(N)c(C)cc1	9574
+c1c(-c2noc(-c3ccc(c(OCC)c3)OCC)n2)c4cc[nH]c4cc1	529
+c1cc(ccc1C2CN(CC(C2)c3onc(-c4cnccn4)n3)C(=O)N5CCC(CC5)O)CC	4536
+Nc1c(cc(Br)cn1)C(=O)N(OC)C	1012
+Nc1ccc(cc1C(N(OC)C)=O)F	280
+O1CCCn2c1c(C(=O)N(OC)C)cn2	9575
+O=S(=O)(N(C)C)n1ccc(C(N(OC)C)=O)n1	9576
+O=S(=O)(N(C)c1cccc2c1[nH]c(C=3SC(CC(N(OC)C)=O)CN=3)c2)c4cccs4	164
+O=S(=O)(N)c1cc(ccc1C)C(N(C)OC)=O	280
+c1ccccc1C(=O)N2CC(N(S(=O)(=O)c3ccc(s3)C(N(C)OC)=O)CC2)C	4836
+c1c2c(ccc1OC)cc(cn2)C(N(OC)C)=O	1012
+c12occc1cc(cc2)C(N(OC)C)=O	2276
+c1(c(Br)cccc1N2N=C(C(N(OC)C)=O)C(=O)C(=C2)OC)F	2101
+c1(c(F)c(ccc1)C(N(OC)C)=O)F	280
+c1(c(cc(CC(N(OC)C)=O)cc1)Cl)Cl	164
+c1(N)nc(ccc1C(N(OC)C)=O)Cl	1012
+c1(c(cccc1C)C(N(OC)C)=O)Cl	280
+c1(c2c(ccc1)ccnc2)C(N(OC)C)=O	9577
+c1(cc(C=CC(=O)N(OC)C)ccc1)Br	3223
+c1([N+]([O-])=O)ccc(c(F)c1)C(N(OC)C)=O	280
+c1(ccc(cc1Cl)C(C(N(C)OC)=O)CC=C)Cl	164
+c1(C)c(F)c(ccc1)C(N(OC)C)=O	280
+Clc1c(F)c(ccc1)C(N(OC)C)=O	280
+O(N(C)C(c1cccnc1F)=O)C	9578
+c12c3c(cccc3)ncc1nc(CCC)n2CCCC(=O)N(OC)C	978
+c12cc(C(N(OC)C)=O)[nH]c1cccc2Cl	1006
+c1c(Br)c(ccc1)OC(CCC)C(=O)N(C)OC	1080
+c1c(F)c(c(cc1)F)-c2c3c4CCC(C(N(C)OC)=O)Cc4[nH]c3c(C(=O)N)cc2	164
+c1c(c(cc(c1)C(N(OC)C)=O)C#N)OC	280
+c1c(c(ccc1C(N(OC)C)=O)-n2cc(nc2)C)OC	280
+c1c(cc(C)c(c1)C(N(OC)C)=O)Br	2276
+CN(OC)C(=O)c1cc2nccnc2cc1	280
+c1c(cnc(C(N(OC)C)=O)c1F)F	1006
+c1c2c(cccc2)c(c(C)c1)CC(N(OC)C)=O	164
+c1cc(C=CC(=O)N(OC)C)ncc1Br	9579
+c1cc(N2N=C(C(N(OC)C)=O)C(=O)C(=C2)OC)c(F)cc1I	2264
+c1cc(cc(c1)F)-n2c(c(c3ccccc23)C#N)C(N(C)OC)=O	1006
+c1cc(ccc1)-c2c(N)nc3ccc(cn23)C(N(C)OC)=O	1012
+c1cc(ccc1)CN(C)CC(N(OC)C)=O	164
+c1cc(ccc1)CN2CC(C(=O)N(C)OC)CCC2	164
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(N(OC)C)=O	4243
+C1CN(CCC1C(N(OC)C)=O)C(=O)OCc2ccccc2	164
+c1cc(ccc1-c2cc(-c3n(c(cc3C)C(=O)N(C)OC)C)ccc2OC)S(=O)(=O)N	1006
+c1cc(ccc1C(=O)C2CCC(CC2)C(N(OC)C)=O)Cl	164
+c1cc(ccc1C(=O)N(OC)C)Br	2276
+c1cc(ccc1F)C(N(OC)C)=O	2276
+c1cc(ccc1C(N2C(CC(C(=O)N(C)OC)C2)=O)C)OC	164
+c1cc(ccc1N2C(C(CCC(N(C)OC)=O)C2c3ccc(cc3)OCc4ccccc4)=O)F	164
+c1cc(ccc1F)N2C(NC=C2C(=O)N(OC)C)=S	9580
+c1cc(ccc1OC)CN2CCCC(C(=O)N(C)OC)C2	978
+c1ccc(c(C)c1)C(CC(N(OC)C)=O)c2cccc(c2)Br	164
+c1cc(ccc1CC(c2ccccc2)C(N(C)OC)=O)Cl	164
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COCC(N(OC)C)=O)c4	164
+c1cc(ccc1)CC(C(N(C)OC)=O)NC(OCC)=O	164
+c1ccccc1CN2CC(c3cc(c(cc3)Cl)Cl)C(C2)C(N(C)OC)=O	164
+c1ccccc1COc2cc(F)c(cc2)N3C=C(OC)C(C(C(N(C)OC)=O)=N3)=O	2264
+c1ccccc1COc2ccsc2C(N(C)OC)=O	4836
+c1ccccc1Cc2nnc(N3CCN(C(C)C3)c4cnc(cn4)C(N(OC)C)=O)c(c2C)C	3271
+c1cc(ccc1)Nc2cc(ccc2C(=O)N(OC)C)Cl	280
+C(N(C)OC)(=O)c1[nH]nc2ccccc12	4797
+n1ccnn1-c2c(cccc2)C(=O)N3CC(C(=O)N(OC)C)CCC3C	164
+N(c1c(C(N)=O)ncc(NC(C)C(N)=O)n1)c2cc3c(nc2)cccc3	1198
+c1cc(ccc1F)C(=O)C2CCN(CC2)CCCCN3C(c4c(NC3=S)cc([N+]([O-])=O)cc4)=O	9581
+n1(c2c(Cl)c(F)ccc2nc1)CCO	1449
+c1c(I)cc(c(Nc2c(F)c3nnsc3cc2C(=O)OC)c1)F	235
+C(c1cc(Cl)c(nc1-c2cc(F)ccc2)N)(=O)OC	9582
+Nc1c(C)cccc1C(=O)C	106
+N(CCc1cc2c(OCO2)cc1)c3c4c(nc(-n5ccnc5C)n3)sc(C)c4C	937
+N1(c2cc(C)ccc2NC1=O)C(CCC)CC(OCC)=O	1019
+c1cc(ccc1C#N)C(NNC(=O)C(Nc2cc(c(C#N)cc2)Cl)C(C)O)=O	708
+C(CN)NC(=S)Nc1c(c2c(ocn2)cc1)C	1167
+c1cc(NC(N2Cc3c(cccc3)CC2CCO)=S)c4c(cnc(c4)COC)c1	1366
+N(c1ccc(C(O)=O)nc1)C(=O)C2CCCN(c3nc(c4ncsc4n3)Nc5ccc(OC)c(c5)OC)C2	1
+c1cc2n3c(C)nnc3c(Cl)nc2cc1	2958
+C1(N(Cc2c(F)cccc2)C(=O)C=C(Cl)N1CCCC)=O	1819
+N1(C(=O)C(c2cc(O)ccc2)(NC1=S)c3cc(c(cc3)F)Br)C	5
+O=S(=O)(Oc1cccc(C2(NC(=S)N(C2=O)C)c3cc(c(cc3)F)Br)c1)C	444
+n1n2CCNCc2cc1NC=3C(N(C=C(Br)C=3)C)=O	526
+N1(C(=O)C)Cc2n(nc(N)c2)CC1	161
+N1(C(=O)C)c2cc(C)cc(C)c2C(C1)CCO	59
+N1(C(=O)C=C(C=C1C)OCc2ccc(cc2F)F)c3c(C)ccc(C(=O)O)c3	1
+c1c(ccc(COC2=C(C(N(C(=C2)C)c3c(C)cnc(c3)C(=O)OC)=O)Cl)c1F)F	4837
+C1(c2cc(F)ccc2)=CN(C(=O)C=C1)CCO	2243
+c1ccccc1COC(Nc2ccc(N3CCN(C(=O)C3)CCOC)c(F)c2)=O	90
+N1(C(=O)CN(c2ccc(N)cc2F)CC1)CCOC	0
+C=1(C(=O)N(C(=O)N(C=1C)CCCC)C)[N+]([O-])=O	2429
+C=C(C)CN1C(=O)N(C(C(N)=C1N)=O)C	3088
+C=C(C)CN1C(N)=C(N=O)C(=O)N(C1=O)C	863
+C(CN1C(c2c(c(sc2N(C)C1=O)-c3cc(c(cc3)Cl)Cl)C)=O)CO	268
+c1cc(ccc1-c2c(cc(c(OCC)c2)C(OC)=O)Br)F	2606
+c1cc(ccc1F)-c2c(cc(c(O)c2F)C=O)Br	2606
+N1(C(C(OC)=O)Cc2ccccc12)c3nnc(cc3)O	3028
+c1cc(ccc1)CN2C(C=CC(N3c4ccccc4CC3C(=O)OC)=N2)=O	9583
+C(C(=O)O)N1C(C(=C(O)C=C1C)[N+](=O)[O-])=O	9584
+C(C)(c1[nH]c2ccccc2n1)N3C(NC(=O)C(=C3N)N)=S	3088
+c1c(OC)ccc(CN2C(=O)C3C(C2)(C(O)=O)C3)c1OC	2154
+C1C(N(C(C=O)C1)CCCCCl)=O	24
+N1(C(Nc2c(ccc(O)c2)CC1)=O)C	5
+c1cc(ccc1OC)NCCN2C=Cc3ccc(C(OC)=O)cc3C2=O	291
+N1(C)C=C(C=C(C1=O)Nc2nn3CCOCc3c2)c4ccnc(c4CO)N5C(c6n(c7CCCCc7c6)CC5)=O	59
+N1(C)CCN(c2c(cc3nc(-c4c(N)cn(C5CCCCO5)n4)[nH]c3c2)F)CCC1	209
+C1N(c2cc(N)c(cc2F)N)CCCN(C1)C	0
+C1CNCCc2ccc(c3c2n1c4CCCc34)F	2217
+c1c(cc(c(NC2=CC(=O)N(C)C=C2C(=O)O)c1)F)Br	9585
+c1(cnc(F)c(c1)C)C2=CN(CC)C(=O)c3cc(OC)c(cc23)OC	3894
+N1(C=CC=C(C1=O)C(=O)NC(c2sccc2)CC(O)=O)Cc3ccc(F)c(F)c3	4748
+N1(CC(F)CC1C(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(=O)Cn4nc(c5c4CCCC5)C(O)=O	6
+OC(CNC)c1ccco1	2875
+c1cc(ccc1F)Nc2c3c(cc(OC)c(OCCCN4CC5C(C(OCC5)=O)C4)c3)ncn2	72
+C=1CN(c2c(cccc2C=1C)CSc3nc4ccccc4[nH]3)C	3089
+c1cccc2CCc3ccncc3C(NC(NNc4c(cc(cn4)C(=O)NC5C(=O)N(CC5)C)Cl)=S)c12	4784
+C1CC(CCN1C)NCCOC	15
+C(CCCN1c2ccccc2C(NC1=O)=O)O	21
+O=S(=O)(N)c1cc(c(cc1C(C)C)C#N)C(C)C	3057
+C1CC(C(c2cc3c(cc2)n(cc3Cc4c(cc(cc4)C(=O)OC)OC)C)O)C(=O)N1C	9586
+c1(cc2C(C3=C(Oc2cc1)CCCC3)=O)C#N	3057
+N1(CCCC1=O)CCCNC(CCC(=O)O)=O	4
+s1c2c(nccc2Cl)cc1-c3ccc(CCN4CCCC4=O)cn3	4838
+N1(CCCC1=O)CCn2ncc(N)c2	209
+N1(CCCC1=O)c2cccnc2N	161
+N1(CCN(CCC(=O)O)C(=O)C1C)C(C=Cc2cc(Cl)c(F)cc2)=O	4052
+c1cc(ccc1)Oc2nnc(N3CCN(C(C)C3)c4ncc(nc4)C(=O)OC)c(C)c2C	1119
+c12c(ccn1CC)cc(cc2)N3C(N(c4cccnc4)CC3)=O	2626
+C(CN1C(CN(CC1)CCc2ccc3c(COC3=O)c2)=O)c4cc5c(cc4)C(OC5)=O	1508
+c12c(cccc1)n(c(N3CCN(CCC3)C)n2)CCOCC	2071
+N1(C)CCN(c2cc(N)c([N+]([O-])=O)cc2F)CCC1	34
+c1cc(ccc1CN2CCCN(C)CC2)C(Nc3cc(ccc3C)Nc4nc(-c5cccnc5)ccn4)=O	171
+N1(CCOC(C1)C(Nc2c3c[nH]nc3cc(-c4c5cc[nH]c5ccc4)c2)=O)C(=O)C	33
+O=S(=O)(C)NCC(Nc1c(Cl)cnc(Nc2cc3c(cc2)CCN(CC3)CCOC)n1)C	55
+N1(Cc2c(C1=O)ccc(N)c2)CC	0
+C(c1cccc(F)c1)C(CNC)N2Cc3c(ccc(-c4n(C)ncc4Cl)c3)C2=O	110
+N1(N=C(C(=O)c2cccnc12)C(=O)O)c3cccc(c3)Br	3
+c12C(NC(=O)N(c1ncn2CC(CO)O)C)=O	871
+c1cc(ccc1OCc2cc3c(nc2)N(c4nc(Cl)ccc4N(C)C3=O)CC)O	751
+CCN1c2nc(F)ccc2N(C)C(c3c1ncc(c3)CCOc4ccnc5ccccc45)=O	1175
+s1cc2c(C(SC)=Nc3ccccc3N2C)c1	9587
+c12c(F)cccc1CC(=O)N2C	1562
+c1c(cc(Cl)c(c1)CC(c2cc3N(C(COc3cc2)=O)C)=O)Br	3090
+N1(c2c(C(Nc3ccccc13)=S)csc2)C	9588
+N1(c2cc(cc(c2)-n3nnnc3)C(=O)O)C(C=C(C=C1)C)=O	1
+N1(c2cc3c(cccc3)nc2)C(NC(=O)C(N)=C1N)=S	721
+C1(c2c(N(C(N1)=S)c3cc4c(cccc4)nc3)[nH]cn2)=O	2725
+C1(=O)c2ccccc2C(=O)N1CC3N(c4c(c(c(C)cc4)COc5c6nc(C)ccc6ccc5)C)CCC3	332
+N1(c2ccc(F)cc2F)c3c(C#C)c(F)c(cc3C(C(C(=O)O)=C1)=O)F	108
+C(N1c2ccccc2N=C(C(O)=O)C1=O)COC=O	9589
+CCN1c2c(NC(c3cc(CCOc4ccnc5ccccc45)cnc13)=O)c(cc(Cl)n2)C	1175
+N1(c2ncc(CCOc3cccc4ncccc34)cc2C(Nc5c1nc(cc5C)Cl)=O)CC	1520
+c1cc(ccc1-c2oc(c(C(OCC)=O)c2)C)OCCc3cc4C(=O)N(C)c5cccnc5N(c4nc3)CC	20
+c12c3CC(C)N1C=C(C(=O)O)C(=O)c2c(c(c3F)F)[N+](=O)[O-]	31
+COc1cc2c(C=3N(C(NC(=Nc4cc([N+]([O-])=O)ccc4)C=3)=O)CC2)cc1	9590
+c1c(N)cc(C2=NN3C(=NN(C)C3=O)C=C2C)cc1	0
+c1cc(ccc1CN2C(=O)N(c3nc(C)c(C(OCC)=O)s3)C=N2)F	1712
+N1=NN(c2c(Cl)ccc(c2Cl)C(=O)O)C(=O)N1C	1
+N1=NN(c2c(CO)c(C)ccc2)C(=O)N1C	1555
+c1c(c(c(OC)cc1)COc2n(nc(-c3c(cccc3)Cl)c2)C)N4N=NN(C4=O)C	9591
+c1cc(c(C)cc1Br)OCc2c(cccc2N3N=NN(C)C3=O)OC	22
+c1cc(ccc1)-n2nc(cc2)OCc3c(OCC)cccc3N4N=NN(C)C4=O	9592
+C1=2COc3cc(ccc3N1C(C)C(NN=2)=O)-c4ccccc4F	11
+N1C(=O)C(C)N2c3c(SCC2=N1)ccc(N)c3	0
+N1C(=O)C(CCCC1)Nc2cc(c(cc2)C(=O)N)Nc3cc(C)ns3	216
+c1([nH]cc2c1CCNC2=O)C=C3c4c(NC3=O)cccc4CCO	292
+c1c2c(SCCNC2)ccc1	162
+c1(cnc2ccc(cc2c1F)Sc3nnc4c(cc(cn34)-c5cnn(C)c5)F)-c6cnn(c6)C	4839
+O1CC2N(c3cnc4ccc(Sc5n6c(c(cc(-c7cnn(C)c7)c6)F)nn5)cc4c13)CCC2	4839
+c1c(cnc2ccccc12)CSc3nc(cc(n3)C)O	9593
+S1C(NC(C1=Cc2cc3c(cc2)nc(o3)C)=O)=S	1149
+N1C(C)(C(COCC1=N)F)c2c(F)ccc(N)c2	0
+O=S(=O)(C)N1CC(C)NCC1	112
+N1CCN(Cc2cc(ccc2)Br)CC1C	48
+C1CN(CC(C)N1)c2nnc(c(C)c2C)Cl	212
+C1CN(CC(C)N1)c2nccnc2Cl	317
+c1cc(ccc1C(OC)=O)N2CCNC(C)C2	34
+c1cc(ccc1N2CCNC(C)C2)C=O	34
+CC(C)c1nc(N2CCNC(C)C2)c(C#N)c(-c3ccccc3)c1	43
+c1ccccc1Cc2c3c(cccc3)c(nn2)N4CC(NCC4)C	212
+c1(C)cc(Br)cnc1N2CC(C)NCC2	323
+C1CN(c2ccc3c(n2)cccc3)CC(C)N1	286
+C12(NC(C3CC(CC3C(N(CCCCC=CC1C2)C)=O)OCOCC)=O)C(O)=O	3
+Cc1n-2c(CN=C(c3c([N+]([O-])=O)cccc3)c4ccsc-24)nn1	9594
+C(CN(C)CCCCCC1C2C(NC(N2)=O)CS1)CCCC(=O)OC	15
+C1(c2c(CN1)cc(F)c(F)c2)=O	4840
+c1ccccc1C(=O)SCCC(N2C(SCC2C(=O)O)c3ccccc3O)=O	9595
+Nc1cccc2OCC(Nc12)(c3ncccc3)C(=O)N	0
+c12CCC(OC)c1ncnc2O	3597
+C1(Nc2c(C(=O)N)cnn3cc(-c4cnc(cc4)CNC(=O)COC)cc23)CN(c5sc(cn5)C#N)CC1CC	2643
+O=C1c2cc(c(cc2N(C=C1C(O)=O)CC)N3CCNC(COCCCCCCCCCCCC)C3)F	34
+n1cccnc1CNC(=O)c2cnc(nc2NCc3ccc(c(c3)Cl)OC)N4CCC5(C4)CN(CCC5)C	9596
+C1CC2(CN(CC)CC2)CN1c3cc(c(c([N+]([O-])=O)c3)N)C	560
+c1cc(ccc1CCN2CC3C(C(CC3)NC(=O)Nc4cc(cc(CC)c4)-c5n(nnn5)C)C2)F	236
+C1N(C(=O)CC)CC(c2c(OC)cccc2)C1	2781
+c1(ccc(cc1Br)NC2C(NCCCC2)=O)C#N	2002
+Cc1cc(n[nH]1)Nc2c(cnc(Nc3c(C)cc(c(c3)C)C4NCCCC4)n2)Cl	55
+c12c(CCOC1CCN3CCN(CC3C)c4cccc5cc(C#N)ccc45)cc(-c6cnccc6)cc2	123
+c1ccccc1COC(N2C(C)CN(Cc3cc(Br)ccc3)CC2)=O	66
+c1nc(c2n1-c3c(c(ccc3)CCN4CCN(c5c6c(cc(c5)F)nc(C)cc6)CC4C)OC2)C(=O)OCC	61
+C1CC12CNCCN(C2)c3c(cnn3C)[N+]([O-])=O	959
+c1cc(ccc1Br)OC(N2CCc3c(O)nc(nc3C2)C)=O	66
+c1c(C)ccc(N2CCc3c(c(ncn3)O)C2)n1	43
+c1ccccc1C(=O)N2CCc3nnc(Cl)cc3C2	115
+c12ccc(N)cc1CCN(C2)C(=O)COc3cccnc3	10
+c1(C(=O)c2cc(Cl)nc(n2)C)cc(C)c3NC(Oc3c1)=O	9597
+CCOC=C1c2c(NC1=O)ncc(Br)c2	4841
+c1cc(ccc1)-c2cnc3NC(=O)Cc3c2	89
+n1c2CCc3c(c(F)cc(Br)c3)-n2c(C)n1	1447
+c12c(cc(Br)c(Cl)c1)CCC(=S)N2	199
+c1c(C(Nc2cccc(Br)c2C)=O)c(N)c(Cl)cc1	1768
+n1c2CCNc3c(c(F)ccc3)-n2c(C)n1	1447
+S(Cc1nccc2OCOc12)c3[nH]c4cc(C(=O)C)c(C)cc4n3	602
+S(c1[nH]c2cc(-n3ccnc3)c(cc2n1)F)Cc4cc(OC)ccn4	602
+N1c2cc(c(OC)cc2CCC1=O)CC=O	1156
+OC1c2ccccc2NC(CCC1)=O	74
+NC(N)=Nc1nc(-c2cccc(CSc3[nH]c4ccccc4n3)n2)cs1	602
+O(C)CCCCOc1cc(CSc2nc3ccccc3[nH]2)ncc1	602
+C1COC(O1)(CCC)CCOc2ccnc(CSc3nc4ccccc4[nH]3)c2C	3944
+c1(nccc(c1C)SCc2ccco2)CSc3nc4ccccc4[nH]3	602
+c12N(C3CN(CCC3C)c4ccnc(Cl)n4)C(Nc1cnc5[nH]ccc25)=O	54
+O=S(=O)(C)c1ccc(c(C)c1OCCOC)C(C2C=NN(C2=O)C)=O	1769
+O=S(=O)(c1c(NCC=C)c(c(cc1)C(C2C=NN(C)C2=O)=O)C)C	1769
+O=S(=O)(C)c1ccc(c(c1-c2ccon2)C)C(=O)C3C(=O)N(N=C3)CC	4842
+O=S(=O)(C)c1ccc(C(C2C=NN(C2=O)CC)=O)c(C)c1OCCOC	1769
+O=S(=O)(c1ccc(c(C)c1C=2CCON=2)C(C3C(=O)N(N=C3)CC)=O)C	4842
+O=S1(=O)c2c(cc(c(C)c2C(=O)C(C)(C)C1)C(C3C=NN(C3=O)CC)=O)C	1769
+O=S1(=O)c2c(C)cc(c(C)c2C(CC1)C)C(=O)C3C=NN(CC)C3=O	1769
+N1=NN(c2c(C)c([N+]([O-])=O)ccc2)C(=O)N1C	3091
+N1=NN(c2cccc(I)c2C)C(=O)N1C	3091
+c1cc(ccc1C=CC=2N(C)C(=O)c3c(cccc3)N=2)C	2066
+c1(noc(n1)Cc2ccccc2C)C(=O)OCC	3540
+n1nc(C2CCCO2)nc(O)c1C(NC(C)=O)CC	9598
+Cc1nc(CCCC)nc(c1CC)O	3492
+c1cc(ccc1CC(F)F)C2CN(CC(c3nc(CCOC)no3)C2)C(C)=O	1166
+c1cc(ccc1C2CN(C(N3CCSCC3)=O)CC(c4nc(CCOCC)no4)C2)CC	1166
+c1cc(ccc1C(N2c3c(cccc3)-c4c(cnc(C)n4)CC2)=O)[N+]([O-])=O	9599
+c1ccccc1CN2Cc3nc(C)nc(O)c3CC2	3490
+c1ccccc1CN2CC3CC(C2)c4nc(C)ncc34	9600
+c1cc(ccc1-c2ccccc2C#N)Cc3c(nc(nc3O)CC)CCC	3945
+c1cc(ccc1C=Cc2nnc([nH]2)N)Cl	9601
+n1c(c(nc(-c2cnc(cc2)Cl)n1)O)C(C)NC(C)=O	9602
+c1(C)nc(on1)-c2cc(OCOC)c(C)cc2	4446
+c1ccccc1SCc2onc(n2)C	9603
+O=S(=O)(c1cnc(cc1)OCCC2C(C3CCN(CC3)c4onc(n4)COC)C2)C	880
+c1cc(ccc1Cl)C2NC(=NC2CC3CCCC3)c4ccc(OC)cc4OCC	9604
+C(=N)(NCCCCN)N	9605
+c1cc(ccc1)COC(=O)N2CCc3c(nc(nc3O)SC)C2	9606
+c1(-c2nc(on2)-c3cccc(Br)c3)cnccc1	9607
+N(c1ccc2c(CCCN2CCCN(CCO)C)c1)C(c3sccc3)=N	1139
+O=C(OC)c1c(cccc1CNC(=O)N)C(OC)=O	2277
+OCC(CO)(C(=O)O)c1cc(-c2[nH]c3cc(ccc3n2)C(=N)N)c(c(-c4c(O)ccc(CNC(=O)N)c4)c1)O	2277
+C(N)(Nc1cccc(Cc2n(CC)ccc2)c1)=O	2278
+C(N)(Nc1cc(I)ccc1)=O	2278
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5cc(CNC(N)=O)ccc5-c4n3)c1F)F	2277
+Ic1c(NC(=O)N)cccc1	2278
+c1cc(ccc1C(C)C)C2=NC(=O)N(Cc3cccc([N+](=O)[O-])c3)c4ccc(cc24)OCC#C	9608
+Oc1ccccc1NC(=O)N	2278
+c1cc(ccc1)C(NC(N)=O)COC(F)F	2277
+CC1(C)C(OC(C)(C)O1)c2nsc(n2)Nc3c(Oc4n(ncc4)CC)cc(Sc5ccccn5)cn3	9609
+c1c(ccc2c(ncnc12)O)F	9610
+c1n(c2nc(ccc2n1)Br)-c3ccnc(Cl)c3	9611
+c12c(ncnc1cc(OCCOC)c(OC)c2)O	3529
+c1(ncnc2COC(C)c12)O	9612
+c1([nH]c2c(cccc2)n1)CN3c4c(C(NC3=S)=O)nc[nH]4	3337
+c1cc(ccc1)CN2CCc3c(CC2)ncnc3O	9613
+c1ccccc1Nc2c(c3c(cc2C(=O)OC)[nH]cn3)Cl	9614
+c1cc(ccc1-c2ccccc2C#N)Cc3c(ncnc3CCC)O	9615
+C1CC1c2[nH]nc(c2)-n3c4c(cc(F)c(c4F)NC(C)c5ccc(cc5)F)nc3	9616
+C1CC1c2n[nH]c(-n3cnc4cnc(cc34)NC(c5ccc(cc5)F)C)c2	9617
+c1ccccc1CN2Cc3ncnc(O)c3CC2	9618
+Nc1c(Br)csc1C(=O)NC	227
+c1cc(ccc1C=2N(C)C(=O)c3ncc(Br)cc3N=2)OCCCN4CCCC(C4)C	9619
+c1(N)c(NC)ccc([N+]([O-])=O)c1	60
+Nc1c([N+]([O-])=O)cc(-c2ccc(c(NC)c2)[N+]([O-])=O)cc1	60
+Nc1c(cc(C(NC)=O)cc1)OC	14
+Nc1c(cnc(NC)n1)[N+](=O)[O-]	96
+Nc1ncc(Br)nc1C(=O)NC	2476
+Nc1ncc(CCC(=O)NC)nc1Br	9
+Nc1sc(nn1)-c2ccnc(NC)c2	70
+c1(C(=O)NC)c2ccccc2n(C)c1	1650
+C1CC(CCN1CCP(OCC)(OCC)=O)NC	87
+O(c1c(C(=O)NC)cc(Br)cn1)C	56
+c1nc(ncc1C=2N(C)C(c3ccnc(OC)c3N=2)=O)OC4CCN(CC4)C5CCC5	9620
+O(c1cc2cccnc2cc1)c3cc(NC)ncn3	40
+O(c1ccn2c(c1)nc(C)c2C(=O)NC)C	312
+O1CCC(c2c1cccn2)NC	2049
+C1CC2(OCCO2)CCC1NC	87
+C(=O)(c1cc(c(cc1F)F)N)NC	14
+c1(c(cccc1)C(=O)NC)I	14
+c1(cc(c(Cl)cc1)Cl)Oc2ccc(cc2CNC)Br	42
+c1[nH]c2c(ccc(C)c2)c1CNC	249
+CNCc1n(c2c(cccc2C)c1)C	294
+O=Cc1cc2cc(OC)ccc2nc1NC	554
+s1c(C(=O)OC)ccc1CNC	1466
+CNCc1ccc2c(n1)NC(=O)CS2	294
+c1c(c2[nH]ccc2cc1)CNC	249
+CNCc1ncccc1	294
+O=S(=O)(C)N(C)c1c(cc2c(C(NC)=O)c(oc2c1)C3=CCCC3)Br	1036
+c1c(CNC)ncnc1Oc2ccc3[nH]c(C)cc3c2F	9621
+O=S(=O)(C)c1c(ccc(Br)c1)CNC	370
+O=S(=O)(C)c1cc2c(CCC(O2)CNC)cc1	463
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c([nH]c(C=4SC(CC(NC)=O)CN=4)c3)c(c2)C	9
+O=S(=O)(C)c1cc(ccn1)C(NC(c2cncc3c2cnn3-c4ccc(cc4)F)=O)CC(=O)NC	248
+O=S(=O)(CCNC)c1cc2c(cc1)nc(s2)NC(=O)NC(=O)c3ccccc3Cl	4353
+O=S(=O)(NC)CCCCCl	111
+O=S(=O)(c1cc(C#N)cc([N+](=O)[O-])c1)NC	71
+O=S(=O)(NC)c1ccc(O)c(C(=O)O)c1	71
+O=S(=O)(c1ccc(c(C)c1)Br)NC	71
+O=S(=O)(NC)c1ccc2c(c1)c3ccccc3s2	71
+O=S(=O)(c1c(C)nc(NC)s1)N	4843
+CCOC(C1C(C1)CNC)=O	285
+CNCCC#Cc1cccc(CF)n1	9622
+Fc1cc(cc(F)c1)OCCNC	285
+O=S(=O)(Oc1ccc2c(OC(CNC)CO2)c1)C	463
+O=S(=O)(c1c(F)ccc([N+]([O-])=O)c1)NC	71
+O=S(=O)(c1c(OC)ccc(Br)c1)Nc2cc(C(NC)=O)cnc2	1650
+c1cc(ccc1)-c2cc(CNC)cn2S(=O)(=O)c3cccc(c3)C(=O)OC	249
+O=S(=O)(c1ccc(F)c([N+](=O)[O-])c1)NC	71
+c1cc(ccc1S(=O)(=O)NC)Br	71
+O=S(=O)(c1ccc(cc1)N)Nc2cc(Br)nc(NC)c2	340
+O=S(=O)(NC)c1cccc(Br)c1	71
+O=S(=O)(n1cc(CNC)c2cnc(Br)cc12)c3cc(F)ccc3	249
+O=S(=O)(n1cc(CNC)cc1Br)c2ccccc2	249
+O=S(=O)(c1cnccc1)n2cc(CNC)c3ccc(C(OC)=O)cc23	249
+BrC=1C(N(C)c2nc(ncc2C=1)NC)=O	435
+O=S(=O)(n1cc(c(F)c1-c2ccccc2)CNC)c3cnccc3	249
+O=S(=O)(c1ccc(cc1)C)n2c3c(c(c(CCNC)cn3)Cl)cc2	110
+O=S1(=O)N(CCCNC)c2ccccc2N1c3ccc(cc3C)F	132
+OC(CNC)c1cccn1C	284
+CNC(C(=NOC)c1ccccc1O)=O	9623
+S(c1c(C(=O)NC)cc(cc1)C)c2csc3ccccc23	14
+Brc1ncc(c(NC)c1)[N+](=O)[O-]	9624
+[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12	56
+n1n2cc(-c3cc(ccc3)C#N)nc2ccc1NC	232
+OCc1ccc(C)c(NC)n1	70
+Clc1cc(C)nc(NC)c1[N+](=O)[O-]	70
+N(C)Cc1c[nH]c(-c2c(cccc2)F)c1	249
+c1ccc(cc1OCSC)C=NC	853
+C1N(C(c2c1cc(Br)cn2)=O)C	9625
+c1(Cl)cccc(Cl)c1S(=O)(=O)NC	71
+c1(Cl)ccnc(CNC)c1	1279
+c1cc(c(nc1)NC)[N+](=O)[O-]	70
+c1c(NC)c([N+]([O-])=O)c(F)cc1	60
+c1(N2C(CC(C2)C(=O)NC)=O)ccc(c(C)c1)OCc3cccc(F)c3	248
+c1([N+]([O-])=O)cccc(-c2ccc(C)cc2C)c1C(NC)=O	513
+c1c(F)c(NC)nc(c1F)F	182
+c1(c(N)c(C(NC)=O)ccc1)F	14
+c1(c(C(OCC)=O)cnc(Cl)c1[N+](=O)[O-])NC	105
+c1(c2cc([N+]([O-])=O)ccc2[nH]c1)C=3CCC(CC=3)NC	4462
+CNC(=O)c1c[nH]c(c1Cl)C(=O)OC	56
+c1(cc(C#N)c(Cl)cc1NC)[N+]([O-])=O	60
+c1(cc(ccc1Br)OCCCNC)CC	132
+c1cc(c(cc1C(C(C)NC)CC=C)Cl)Cl	87
+c1cc(C(NC)=O)c(nc1Cl)NCC	56
+Nc1cccc2c1ccc(C(NC)=O)n2	658
+c1(ccsc1C)C(=O)NC	2582
+c1(c(C(OCC)=O)cnc(Cl)c1C)NC	105
+CCOC(c1c(NC)cc(Cl)nc1)=O	105
+n1c(-c2cccnc2Cl)ncnc1NC	387
+[nH]1c(nc2c(F)cccc12)NC	3687
+C(C(NC)=O)Cc1c([nH]c2CCCCCc12)C=C3c4c(NC3=O)ccc(Br)c4	9
+c1(c(NC(=O)c2n(-c3c(Cl)cccn3)nc(Cl)c2)c(C(=O)NC)cc(c1)C#N)Cl	1302
+c1(NC)nc(-c2cnccc2)nc3c(C)cc(cc13)Br	40
+c1(c(NC(c2cc(nn2-c3c(Cl)cccc3)Br)=O)c(cc(c1)Cl)Cl)C(=O)NC	1302
+c12c3c(cccc3)ncc1nc(CCC)n2CCC(NC)=O	271
+c12cc(-c3cc(ccc3)[N+]([O-])=O)ccc1c(cn2-c4ncnc(NC)c4)Br	40
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(cc4C)C(NC)=O	93
+N=1c2c(C(=O)N(C=1C)C)cccc2	3434
+c12cnc(NC)cc1nc(C)c(-c3c(F)cc(c(c3)N)F)c2	2791
+C(COc1cc(Br)c(F)cc1)(CNC)O	122
+c1c(cc(CO)c(c1)C(NC)=O)Br	513
+c1c(Br)ccc2c1ccc(C(NC)=O)c2	14
+N(C)CC(NCCc1cc2c(OCO2)cc1)=O	402
+Clc1cc2ncc(n2cc1)-c3cc(Cl)nc(NC)c3	70
+c1c(I)cc(c(Nc2c(ncc3cncn23)C(NC)=O)c1)F	2476
+c1(cc(cc([N+]([O-])=O)c1)S(=O)(=O)NC)[N+]([O-])=O	71
+c1c([N+]([O-])=O)c(NC)cc(c1)O	60
+c1c(cc(C)c(c1)C(NC)=O)Br	14
+c1c(cc(c(F)c1)CNC)Br	370
+c1c(cc(c(c1)[N+]([O-])=O)NC)Br	60
+c1c(cc(cc1Br)C(NC)=O)I	14
+N(C)C(CC1N(C(=O)c2cc3NC(=O)COc3cc2)c4ccc(cc4OC1)Br)=O	9
+c1c(cc2sc(NC)nc2c1)Br	2564
+c1c(ccc(Oc2cc(C(NC)=O)ccc2[N+]([O-])=O)c1F)F	93
+c1c([N+]([O-])=O)cccc1C(NC)=O	93
+c1c(n(-c2cc(NC)ncn2)nc1C)N	40
+c1(Sc2ccc(C)cn2)cc(nn1-c3c(Cl)cccc3)CNC	294
+c1c2c([nH]cc2CCC(NC)=O)ccc1	9
+N(C)C(Nc1ccc(Oc2c3cc(C(=O)NC)c(cc3ncc2)OC)cc1Cl)=O	14
+c1cc(CNC)cc([N+]([O-])=O)c1OC	370
+c1cc(CCNC)c(cc1F)[N+]([O-])=O	132
+c1cc(CN2C(C=3C(=C(N(CCCCNC)C(C=3O)=O)C(=O)OC)CC2)=O)cc(Cl)c1F	284
+c1cc([N+]([O-])=O)c(NC)nc1Cl	70
+c1(cc(ccc1[N+]([O-])=O)F)C(NC)=O	14
+CNC(C(c1c(cccc1)C)=O)=O	9626
+C(C(COc1cccc(Nc2ncnc(Nc3cccc(C)c3)c2)c1)O)NC	122
+c1ccccc1-c2c(nc(SC)nc2)NC	40
+c1ccccc1-c2cc(c(nc2-c3ccc(cc3)CN4CCC(CC4)N5C(=O)Nc6c5cccc6)NC)C#N	70
+c1cc(ccc1)-c2n3nc(C(=O)NC)ccc3nc2-c4ccc(cc4)C5(CCC5)N	81
+c1ccccc1C(n2ccc3ccccc23)CCNC	284
+c1ccccc1C2CC2C=NC	9627
+c1cc(ccc1)CC(C(NC)=O)CCn2c3cccc(C)c3nc2COc4ccc(cc4)Cl	271
+c1cc(ccc1)COC(=O)NC(CCCCCC(NC)=O)c2oc(cn2)-c3cc4c(cccc4)nc3OC	9
+c1cc(ccc1)COC(c2c([nH]c3ccc(CCNC)cc23)C)=O	285
+c1cc(ccc1)COC(N2CCC(CC2)n3ccc4ccc(cc34)C(=O)NC)=O	14
+c1cc(ccc1)N2c3ccccc3CC(CCCNC)C2=O	284
+c1cc(ccc1)Oc2ccc(CNC(c3ccc(nc3N)NC)=O)s2	70
+c1cc(ccc1)S(=O)(=O)n2c(c(c(c2)CNC)C(C)C)Br	249
+c1cc(ccc1-c2oc3c(cc(c(NS(=O)(=O)C)c3)Br)c2C(=O)NC)F	1036
+c1cc(ccc1-c2oc3cc(c(Br)cc3c2C(=O)NC)N(C)S(=O)(=O)c4ccccc4)F	1036
+c1cc(ccc1-c2oc3nc(Cl)c(cc3c2C(NC)=O)Br)F	9628
+c1cc(ccc1Cl)-c2oc3cc(NS(=O)(=O)C)c(C4CC4)cc3c2C(NC)=O	1036
+c1cc(ccc1-c2c(n3cc(ccc3n2)Br)C(NC)=O)F	312
+c1cc(ccc1-c2oc3c(cc(Br)c(N4CCCC4=O)c3)c2C(=O)NC)F	1036
+c1cc(ccc1-n2nnc3cnc(nc23)NC)OC	96
+c1cc(ccc1CCNC(OCC(=O)NC)=O)Br	9629
+c1cc(ccc1C(=C(CC)c2ccc3occc3c2)c4ccc(cc4)O)OCCNC	284
+c1cc(ccc1-c2[nH]c(-c3ccccn3)c(-c4ccc5c(c4)OCO5)n2)C(NC)=O	93
+c1cc(ccc1[N+](=O)[O-])C(NC)=O	93
+c1cc(ccc1CNC)C(=O)c2ccccc2	370
+c1cc(ccc1C(O)CNC)NC(=O)C	132
+c1cc(ccc1Br)C(CC(NC)=O)c2ccc(cc2)Cl	9
+c1cc(ccc1C(Nc2ccc(cc2)CC(N(CC(COc3ccccc3)O)Cc4ccccc4)CO)=O)C(NC)=O	14
+c1cc(ccc1C(OCC)=O)-c2cc(c(cc2)OCCCNC)-c3ccc4C(C)(C)CCC(C)(C)c4c3	1918
+c1cc(ccc1C)-c2c(cccc2)C(Nc3ccc(cc3)C(=O)N(C)c4ccccc4CNC)=O	42
+c1cc(ccc1C2(O)CN(CC2)CCCOc3c(cc(Cl)c(c3)OC)C(=O)NC)Cl	513
+c1cc(ccc1CCCC(NC)=O)N	248
+c1cc(ccc1CCCCCCCCCCCC)S(=O)(=O)Nc2sc(nn2)CCCCCNC	132
+c1cc(ccc1CCNC)-n2c3c(c(C)cc(C)n3)nc2CC	284
+c1cc(ccc1CCNC)-n2c(CC)nc3c2cc(c(C(N)=O)c3)Cl	285
+c1cc(ccc1CCNC)C	463
+c1cc(ccc1CNC)-c2cc(NC(=O)C3(CC3)c4cc5OCOc5cc4)ccc2C	4339
+c1cc(ccc1OC)COc2ccc(CNC)cc2Br	42
+c1cc(ccc1COc2cc(O)c(cc2Cl)C(=O)NC)OC	513
+c1cc(ccc1-n2c(c(Br)nc2CC(=O)NC)-c3c(cccc3F)F)Cl	9
+c1cc(ccc1C2C(c3cc(Cl)ccc3)CC(CC=C)(C(N2C(CNC)CC)=O)C)Cl	110
+c1cc(ccc1F)-c2oc3c(c4c(OC(C)(C)C4)cc3)c2C(=O)NC	1036
+c1cc(ccc1F)-c2oc3c(c2C(NC)=O)c4CC(Oc4c(NS(=O)(=O)C)c3)C	1036
+c1cc(ccc1F)-n2ccc3cc(ccc23)OCCCCNC	132
+c1cc(ccc1C(CC=C)C(=O)NC)F	9
+c1cc(ccc1F)C2c3c(CC2)c(NC)nc(Cl)n3	40
+c1cc(ccc1N2C(C=CN=C2C(C)NC)=O)F	1682
+c1cc(ccc1O)C(c2ccc(c(c2)Br)OCCNC)=C(c3ccccc3)CC	132
+c1cc(ccc1OCc2ccc(cc2)F)OCC(NC)=O	271
+c1cc(ccc1Oc2ccnc(NC)n2)OCc3ccccc3	96
+c1cc(ccc1C(O)=O)S(=O)(=O)NC	71
+N(C)CC1Oc2c(cccc2C1)-c3cc(C)ccc3C	463
+Cc1c(cccc1)-c2cc(F)c3c(c2)CC(CNC)O3	463
+Clc1ccc(Cl)c(c1)-c2cccc3CCC(Oc23)CNC	463
+Cc1c(c(ccc1)-c2c3c(CC(CNC)O3)ccc2)C	463
+c1cc(ccc1CNC)[N+]([O-])=O	370
+c1cc(ccc1[N+]([O-])=O)Oc2cc(ccc2)C(NC)=O	14
+c1(NC)ccc(cn1)C#N	70
+c1ccc2C(C(CNC)CC=C)c3c(cccc3)COc2c1	110
+c1cccc(c1OCCC)-c2nc(cc(n2)O)C(=O)NC	780
+c1cccc2c1snc2NCCNC(c3ccc(cn3)C(NC)=O)=O	56
+c1c2c(ccc1)n(C)c(CNC)c2C	294
+c1ccccc1-c2ncc(c(NC)n2)C(OCC)=O	40
+c1cc(ccc1)-n2c(c(C)c(C(NC)=O)n2)N	81
+c1ccccc1C(c2cc(OC)cc3c2cc[nH]3)CCNC	110
+c1ccccc1CCC(C(=O)NC)N	248
+c1ccccc1COC(NC(C(NC)=O)CC(C)C)=O	9
+c1ccccc1COC(NCC(C(=O)NC)C)=O	248
+c1ccccc1COc2cc3c(cc2)ncc([N+]([O-])=O)c3NC	105
+c1ccccc1COc2c(cc(cc2)Br)CNC	42
+c1ccccc1Nc2nc(ccc2C(=O)NC)Cl	56
+c1cc(ccc1)OC(NC)=O	101
+c1(cc2c(nccc2Oc3ccc(c(Cl)c3)NC(=O)NC)cc1OC)C(=O)OC	238
+c1ccccc1S(=O)(=O)c2ccc3OCCN(C(CCNC)=O)c3c2	4844
+c1nc(ncc1)C(O)CNC	284
+c1cc(ccc1CNC)Oc2cncnc2	42
+n1(Cc2c(F)cccc2)c3c(nc1)cnc(n3)NC	96
+N(C)C(c1nn(C2CCCCO2)c3cc(ccc13)Nc4ccccc4C(OC)=O)=O	81
+n1c(nc(Cl)c([N+]([O-])=O)c1NC)Cl	40
+c1c(NC)ncnc1Cl	40
+c1ccccc1-c2nc(NC)nc(Cl)n2	387
+COc1cn2cc(-c3cnc(NC)cc3)nc2cc1	182
+c1nc(ncc1OCc2ccccc2)NC	96
+n1cc2ccc(nc2c(Br)c1)C(NC)=O	81
+C1C(c2c(CC1)cccn2)NC	2049
+n1ccncc1C(O)CNC	284
+n1cnn(-c2cc(NC)ncn2)c1N	40
+NC(=O)C1C(C2CC1C=C2)Nc3c(c(ncc3Cl)N)N	13
+CCCn1c2c(c(nc(n2)-c3ccccc3OCCC)O)c(C)n1	9630
+NC(=O)c1c(NC2C(CCCC2)C)c3n(nc1)cc(N)c3	13
+c1c(Nc2cncc(-c3ccccc3F)c2C#N)c(F)cc(I)c1	274
+NC(=O)c1c(c2ccc(-c3c(C)nn(C)c3C)cc2nc1)Nc4cccc(C(=O)O)c4	6
+O(C)c1cc(OC)c2c(nc(nc2O)-c3nc(F)ccc3)c1	2863
+c1c(C)c(c(cc1-c2nc(O)c3c(OC)cc(OC)cc3n2)C)OCCCO	748
+c1c(c(Br)nc(c1)-c2nc3cc(cc(OC)c3c(n2)O)OC)OC	2863
+c1cc(ccc1N2CCN(C(C)=O)C(C2)C)-c3nc(c4c(cc(OC)cc4OC)n3)O	748
+Oc1c2c(nc(-c3cnncc3)n1)cccc2	4845
+c1(c(cc(c(c1Br)F)F)C(=O)O)F	9631
+c1(Cl)c(cc(c(c1N)Cl)C(N)=O)F	0
+N#Cc1cc2c(CCCC2)c(c1OC)I	274
+c1cc(ccc1)C=2CCN(CC=2)CCCC(=O)Nc3ccccc3C(=O)N	1822
+S=C(c1c(cccc1)[N+]([O-])=O)N	581
+Nc1sc(nn1)-c2cc3c(cc2)cnc(F)c3	4846
+Nc1sc(nn1)-c2cc(Cl)ncc2	4846
+c1c(OC)c(c(cc1)OC)CNC(Nc2nc(Br)ccc2)=N	9632
+c1cc(ccc1Br)-c2csc(Nc3cccc(C)n3)n2	354
+n1ccncc1Nc2nc(c(s2)-c3ccncn3)-c4cc(ccc4)C#N	4465
+Cc1nc(-c2cc3c(c(c2)O)scc3)sc1C(=O)OCC	2242
+c1cc(ccc1C(NC(C(=O)O)CCCC(O)=O)=O)F	946
+c1cc(ccc1S(=O)(=O)Nc2ccccc2Oc3ccc(Cl)cc3Cl)C(NCC(NCCCCC(N)C(OC)=O)=O)=O	9
+c1([N+]([O-])=O)cccc(c1)-c2sc(nc2C(=O)OC)C	9633
+c1(cc2OCCc3c(nc(C)s3)-c2cc1)N4CC(CNC(C)=O)OC4=O	3532
+c1cc(ccc1C#N)OCCCCCOc2ccc(cc2)-c3csc(C)n3	963
+c1cc(ccc1-c2c(sc(C)n2)C(=O)OC)F	9634
+Cc1ccccc1-c2nc(C)sc2C(=O)OCC	9635
+O=S(=O)(C)NCC(N)C	111
+c1ccccc1COC(NC(C(O)=O)CC(N)=O)=O	544
+c1cc(ccc1C(NC(C(O)=O)CCC(=O)OC)=O)F	946
+c1cc(ccc1)COC(=O)NC(c2ccccc2OC)CCC=C	101
+c1(nc([nH]c1)C(NC(=O)c2cncs2)CCCCCC(NC)=O)-c3cc4ccccc4nc3OC	454
+c1cccc2c1C(=O)N(C2=O)C(C)CO	672
+O=S(=O)(NC(C)CO)c1c([N+]([O-])=O)cccc1	71
+O=S(=O)(c1c([N+](=O)[O-])cccc1)Nc2ccccc2C=NC(C)CO	853
+O=S(=O)(c1ccc(cc1)Cl)N(Cc2ccc(cc2)C(NC(C)CO)=O)C3C(CCCC3)C	14
+C1(c2c(C=CN1C(C)CO)c(c(C)cc2)[N+]([O-])=O)=O	1892
+c1c(cc([N+]([O-])=O)c(NC(C)CO)c1)Br	60
+c1cc(ccc1)-c2c(COc3ccc(cn3)C(NC(CO)C)=O)c(on2)C	56
+c1ccccc1COC(=O)NC(C)CO	101
+c1cc(ccc1C)C2CCCN2c3nc(cc(Nc4sc(C#N)cn4)n3)C(NC(C)CO)=O	81
+c1cc(ccc1OC)CNC(C)CO	42
+c1cc(ccc1S(=O)(=O)N(C2CCCC(C)C2)Cc3ccc(cc3)C(NC(C)CO)=O)Cl	14
+c1ccccc1COC(=O)c2ccc(cc2C)C(NC(C)CO)=O	14
+c1ccccc1CSc2nc3nc(N)sc3c(NC(CO)C)n2	9636
+c1(nc2ccc([N+]([O-])=O)cc2cn1)N	9637
+c1(nc2c(cc(c(OC)c2)Br)cn1)N	9638
+c1(cccc(c1)CCc2nc(N)nc(O)c2)Br	9639
+c1c(cc2c(c1)nc(N)nc2)Br	9640
+c1cc(ccc1)Cc2c(O)nc(N)nc2C	3491
+c1cc(ccc1COC2CCCCO2)Cc3c(C)nc(N)nc3O	9641
+c1cc(ccc1OC)Cn2nc(c(-c3ccnc(N)n3)c2)-c4cccc([N+]([O-])=O)c4	3805
+NC(N)=NC(Cn1c(ccc1-c2ccccc2)C3CCC(CC3)CCC)=O	9642
+c1cc(ccc1)-c2ccnc(N)n2	4523
+c1ccccc1C(c2cc(ccc2F)-c3ccnc(n3)N)O	9643
+C(c1c(O)nc(nc1)N[N+](=O)[O-])C=2C=CN(C(C=2)=O)CCCC	9644
+n1c(N[N+]([O-])=O)ncc(c1O)Cc2cc(ccc2)OC	4847
+n1c(N[N+]([O-])=O)ncc(c1O)Cc2ccc(nc2)OC	4847
+NC(N)=Nc1scc(n1)-c2nc(ccc2)CO	629
+NC(N)=Nc1scc(-c2nc(C(=O)O)ccc2)n1	1
+c12C(NC(=O)Nc1c(C)cc(c2)Br)=O	9645
+c1c(Br)c(Cl)cc2c1cnc(O)n2	4660
+c1c2c(cc(OC)c1Br)nc(nc2)O	9646
+c1(c(c(ccc1C)O)C)Cl	4271
+c1cc(ccc1)C=2C(c3cc(c(c([N+](=O)[O-])c3)O)Cl)NC(=O)NC=2c4ccccc4	9647
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4cccc(C)c4	4848
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4ccc(Cl)c(Cl)c4	4848
+c1cc(ccc1)S(=O)(=O)n2ccc(c2)C3=C(c4ccccc4)C(NC(=O)N3)c5cc(c(c(c5)[N+]([O-])=O)O)OCC	9648
+c1c(CN2c3ccccc3NC2=O)cccn1	4849
+c1cc(ccc1)C(c2ccccc2)N3CCN(CC3)CCCN4C(Nc5cc(c(Cl)cc45)Cl)=O	4849
+c1cc(ccc1-n2c3C(=O)NC(=O)Nc3cc2)Br	9649
+c1cc(ccc1Cn2nccc2)Oc3ccc(cn3)N4C5(C(=O)NC(NC5=O)=O)CCC4=O	3524
+c1ccccc1-c2c3c(nc(O)n2)cccc3	9650
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCN4C(Nc5cc(ccc45)C(F)(F)F)=O	1595
+CCOC(=O)C(c1csc(N)n1)=NOCC	1145
+C(CCON=C(c1csc(N)n1)C(=O)OCC)CCCCC	1145
+N1C(NC(=O)C(=C1C)C)=S	9651
+O=C(C(=NOC)c1csc(N)n1)OC	9652
+N(=C(C(OCC)=O)c1csc(N)n1)OC	1145
+O=C(OCC)C(=NOCCC)c1csc(N)n1	1145
+O=C(OCC)C(=NOCCCC)c1csc(N)n1	1145
+N(=C(C(OCC)=O)c1c(C)sc(N)n1)OC	9653
+Nc1sc2c(CCCCC2=O)n1	3565
+n1cc(cnc1C)CC=2C(=O)NC(NC=2)=S	9654
+O=S(=O)(C)c1c(ccc(-c2c(C)nc(N)s2)c1)Cl	9655
+O=S(=O)(N(c1cccc(c1F)-c2nc(N)sc2)COC)c3c(F)ccc(F)c3	354
+O=S(=O)(N1c2c(CC1)cc(cc2)-c3c(C)sc(N)n3)c4ccccc4[N+]([O-])=O	1258
+Nc1nc(cs1)-c2c3cc(Br)cnc3[nH]c2C	9656
+c1(C)cc(cc(C)c1-c2csc(N)n2)Oc3ccc4OCOc4c3	354
+c1(N)nc(c(C)s1)-c2cc3CCN(C(c4ccccc4C)=O)c3cc2	1258
+c12c(cncc1F)sc(n2)-c3c([N+]([O-])=O)cccc3Cl	3092
+c12c(cncc1sc(-c3c(F)cccc3Cl)n2)F	3092
+c1c(C)c(c(cc1OC)C)-c2csc(N)n2	354
+Cc1cc(cc(C)c1-c2nc(sc2)N)Oc3ccc(cc3)F	354
+c1c(Cl)c(c(cc1C#N)Cl)-c2sc3cncc(F)c3n2	3092
+C1CCc2ccc(cc2-c3nc(N)sc13)F	1258
+c1cc(ccc1)-c2nc(N)sc2C=3C=CC(N(C(C)C)N=3)=O	9657
+c1c(C)c(c(cc1Oc2ccccc2)C)-c3nc(sc3)N	354
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC(C)(C)c3nc(N)sc3	1102
+c1cc(ccc1-c2nc(N)sc2)C#N	354
+C1CCCCC1Cc2c(-c3ccc(cc3)OC)nc(N)s2	1258
+c1cc(ccc1C(O)=O)-c2nc(N)sc2	9658
+CC(C)c1ccc(cc1)-c2csc(N)n2	354
+O=S(=O)(NC1CCCC1)c2ccc(cc2)-c3nc(N)sc3	354
+c1cc(ccc1SC)Cc2c(C(OCC)=O)nc(N)s2	9659
+c1cc(ccc1-c2nc(N)sc2C)OC	1258
+c1ccccc1C(Nc2nccc(c2)-c3c(-c4ccc(cc4)OC)nc(N)s3)=O	9660
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3C(C(=O)N23)NC(=O)C(=NO)c4csc(N)n4)=O	9661
+c1ncncc1CC=2C(=O)NC(NC=2)=S	9662
+O(c1cccnc1)c2cc(OCCOC)c(Nc3nccs3)nc2	3030
+c1ccccc1COC(=O)NC([PH](=O)O)C	101
+N#Cc1cc(c(c(c1N)[N+](=O)[O-])C)[N+]([O-])=O	274
+c1cc(c(-c2cc(c(C)[nH]2)C(N)=O)cc1)N	0
+Oc1c2sccc2nc(-c3ccccc3OC)n1	9663
+NC1=C(N)C(N(C(=O)N1)C)=O	721
+C(O)c1cccc(c1)OCCCNC2=C(N)C(=O)C2=O	41
+NC1=NC(=CC(N1C)=O)NN	9664
+c1cc(ccc1-n2c3c(cnc(n3)NC4CC(CC4)C(=O)O)nn2)OCCOC	96
+c1cc(nc(-c2c(cnc(NC3CC(C(=O)O)CC3)c2)Cl)c1)NCc4cc(ccc4)F	182
+c1cc(ccc1I)-n2nnc3cnc(nc23)NC4CCC(C4)O	96
+c1cc(ccc1OC)CN2C=Cc3cc(ccc3C2=O)OC4CC(CC4)N	57
+c1c2C(=O)N(C(=O)c2ccc1)C3C(CCC3)O	672
+c1ccc2c(c(cn2Cc3c(F)cc(-c4cnn(C)c4)cc3)C(NC5C(O)CCC5)=O)c1F	1281
+O=S(=O)(CC)NC(C(NC1CCCCC1c2cc(c(O)cc2)OC)=O)C(C)C	9
+n1cc(cnc1C(=O)NC2CN(c3nccn4cccc34)CC2)Br	855
+c1cc(ccc1F)-n2ccc(n2)C(NC3CCN(c4nccn5c4nnc5)C3)=O	81
+CCC(NC1CCc2cc(OC)ccc2C1)=O	9665
+c1cc(ccc1)COC(NC2C(CCCC2)CNC3Cc4c(cc(F)cc4)CC3)=O	110
+NC1CCc2ccc(cc2C1)O	5
+c1ccccc1COc2ccc(cc2)C(O)C(=O)NC3Cc4c(ccc(c4)O)CC3	9
+c1[nH]c2c(c1CCCNC3Cc4c(OC3)c(F)ccc4C(=O)N)cc(cc2)F	132
+c1[nH]c2c(cc(C#N)cc2)c1CCCNC3Cc4c(OC3)cccc4OC	132
+O=S(=O)(OCC1OC(CC1O)N2C(N=C(C(=C2)I)N)=O)c3ccc(cc3)C	36
+c1c(C2CC(c3c(nccc3C)C2)=O)c(F)ccc1C	9666
+C1(C(=C(N)N(CCCC)C(N1)=O)N=O)=O	863
+C1(C(=C(N)N(CCCCC)C(N1)=O)N=O)=O	863
+O(C(=O)CCCCC(=O)NCC(=O)c1ccccc1OC)C	612
+O=S(=O)(c1c(Cl)cc(cc1)Cl)NCCCCN	71
+c1(cccc(C(=O)O)c1)Nc2nc(ccn2)-c3ccnc(c3)NCCCCN	70
+c1cc(ncc1Br)NCCCN	340
+C(CNC(c1nc(c(nc1N)N)Cl)=O)N(C)CCC(=O)NCCN	248
+O=S(=O)(C)Nc1ccc(CC2=NCCN2)c(C)c1F	9667
+c1cc(ccc1)CS(=O)(=O)c2c(NCCN)ccc([N+](=O)[O-])c2	205
+O=S(=O)(Nc1c2c(ccc1OC)C(CCC2)C=3NCCN=3)C	9668
+O=S1(=O)c2ccc(cc2C(c3c1cc(cc3)C=4NCCN=4)=O)F	3923
+c12c(cccc1[nH]cc2Cl)NC(=S)NCCN	1167
+c1(nsc2ccc([N+]([O-])=O)cc12)NCCN	4060
+c1(cc(Cl)c(cc1)Br)NCC2=NCCN2	9669
+C1NCCNC1c2ccco2	9670
+NCCNc1ccc2ccccc2c1	9671
+c1nc(ccc1C(Nc2ccccc2N)=O)NCCN	70
+c1(ccc([N+]([O-])=O)c(n1)N)NCCN	70
+c1ccccc1COC(NCCN)=O	101
+c1cc(ccc1)Cn2c(c(c3c2cc(cc3)C4=NCCN4)C(=O)NCc5cc(F)c(cc5)F)C(C)C	9672
+c1cc(ccc1)Oc2ccc(CNC(c3ccc(NCCN)nc3N)=O)s2	70
+c1cc(ccc1-c2csc(NCCN)n2)Br	4289
+c1cc(ccc1C23Cn4c(C(=O)N2CCN3)ccc4Br)OC	9673
+c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2	9
+c1cc(ccc1F)C2c3nc(nc(NCCN)c3CC2)Cl	40
+c1ccccc1COc2ccc(C3=NCCN3)c(N)c2OC	2086
+c1ccccc1COc2ccc(cc2Cn3nc(cc3C)C4=NCCN4)Cl	9674
+c1cc(ccc1S(=O)(=O)NCCNc2ccc3c(cccc3)c2)C=C	71
+c1(c(cc(cc1)N(C)c2c3ccccc3nc(NCCNC(=O)C)n2)OC)OC	68
+c1c(nc(nc1)NCCc2ccc(c(OC)c2)OC)-c3cc(ccc3)[N+]([O-])=O	96
+c1(cc2oc(nc2cc1)NCc3c(Cl)cccc3)O	1527
+c1(c(cnc(n1)Cl)N)NCc2ccccc2F	40
+C(c1nc(nc(NCc2c([N+]([O-])=O)cccc2)c1Cl)-c3c(F)c(c(Cl)cc3)OC)(OC)=O	40
+CC(C)c1c(C)nc(C)c(CN)c1	1747
+c1cc(ccc1-c2nc(no2)CCCCCCCCCCC)CNCc3c4ccccc4sc3	42
+O=S(=O)(NCc1c2ccccc2ccc1)c3sc(Cl)c(Cl)c3	1427
+Oc1c(CNCc2cc(CC(OC)=O)ccc2)cccc1	42
+O=S(=O)(c1ccc(cc1)C#Cc2ncccc2)NCc3ccnc4c3cccc4	71
+c1cc(ccc1Cc2ccccc2)S(=O)(=O)NCc3ccnc4c3cccc4	71
+C(CCCCCCCCCCCC)C(NN)=O	561
+c1(-c2cc(c(C)cc2)C=3C(N(c4nc(SC)ncc4C=3)C)=O)[nH]cnn1	9675
+n1nc([nH]c1)-c2c(c(c(Br)s2)C#N)Br	2338
+c1c(-c2c(-c3nnc[nH]3)cn(-c4ccnc(Cl)c4)c2)c(ccc1)Cl	9676
+c1c(C)nc(-c2c(c[nH]n2)-c3cc(Br)c(F)cc3)cc1	9677
+c1cc(ccc1Cl)Cc2c(c(-c3ccnc(NC(=O)C)c3)sc2-c4nnc[nH]4)C#N	2338
+COc1cc(cc(OC)c1)-c2nnc(O)c3cc(ccc23)OC	1055
+CCOC(=O)C(C)c1n[nH]c(C)c1	9678
+N1C(=O)C(C)N2c3cc([N+]([O-])=O)ccc3SCC2=N1	2833
+N1C(=O)C(C)N2c3cc(c(C)cc3OCC2=N1)Br	2833
+c1(ccc(-c2c([nH]nc2N)C)cc1OCCOC)OCCOC	2014
+O(c1cccnc1NN)C	383
+c1c(cc(Br)c(F)c1)Cc2nnc(c3c2cccc3)O	3538
+c12OCCOc1c(C(NN)=O)cc(c2N)Cl	1094
+C(=O)(OCC)c1c2c([nH]n1)CCCCC2	2783
+n1c(c(nc(-c2cc([N+]([O-])=O)ccc2)n1)O)C(C)NC(C)=O	9679
+c1cc(ccc1C)Cc2nnc(c(O)n2)C(NC(C)=O)C	9680
+c1cc(ccc1-c2nnc(C(C)NC(C)=O)c(O)n2)[N+](=O)[O-]	9681
+c1c2c(O)nnc(-c3c(cccc3)OC)c2ccc1OC	1055
+c1(ccccc1C(NN)=O)I	898
+c1c(F)c(c(cc1-c2nnc(cc2)O)F)OCCCCl	4850
+c1ccccc1-c2nn3ccc(OC)cc3c2-c4ccc(nn4)O	9682
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)-c3ccc(O)nn3	4850
+O=S(=O)(Cc1c(C(NN)=O)cccc1)N	296
+O=S(=O)(c1c(C(=O)NN)cnn1C)N	9683
+CCN(CC)S(=O)(=O)c1c(nc(cc1)NN)C	383
+O=S(=O)(c1cc(-c2c3cccnc3[nH]n2)[nH]c1)NCCN4CCOCC4	2410
+O=S(=O)(c1ccc(NN)c(Cl)c1)N	2092
+c1cc(ccc1S(=O)(=O)N)Nc2nnc(N)[nH]2	3024
+O=S(=O)(c1ccc(cc1F)NN)N	2092
+O=S(=O)(n1c2ccc(C(NN)=O)cc2c(I)c1)c3ccc(cc3)C	898
+O=C(C(c1ccccc1Cl)O)NN	355
+Cc1cc(cc(C)c1-c2c(n[nH]c2N)C)Cl	2014
+c1(C)nc2n3c(nc(C(NN)=O)c3)ccc2c(C)c1	2100
+n1c(O)c2c(cn1)nc(N)s2	9684
+c1c(cc2c(c3c(n[nH]c3)nc2)c1)Br	9685
+NNC(c1ccc(c(Cl)c1)O)=O	296
+c1(cc(Cl)c(cc1O)O)-c2c(c[nH]n2)-c3cc(ccc3)OCCCCC#N	3575
+c1(nc(cc(NN)n1)Cl)CC	1021
+c1(F)cc(cc(F)c1)NS(=O)(=O)c2cc3c(n[nH]c3N)nc2	1448
+c1(-c2cc(nc(NN)c2)F)nc(SC)ncc1	1606
+n1ccc(-c2cc(nc(NN)c2)F)nc1Nc3ccnn3C	1606
+c1(c(OC)c(-c2c(n[nH]c2C)N)ccc1)OCCOC	2014
+[nH]1nc2c(cnc(SC)n2)c1	9686
+c1(C)c(ncc(c1)[N+](=O)[O-])NN	383
+n1ccnc(Cl)c1NN	2839
+Clc1c2c(n(C)nc2)nc(c1)-c3cccc4c(n[nH]c34)N	575
+c12c(n[nH]c1c(F)ccc2)N	575
+c1(c(c(ccc1C)Cl)Nc2ccccc2C(NN)=O)Cl	296
+c12cc(ccc1c(-c3cccc(OC)c3)nnc2O)OC	1055
+c1(cc(C)cc(C)c1OCC(NN)=O)-c2occc2	561
+n1c(NN)cc(cc1)-c2ncccc2	383
+c1(c2cccc(Cl)c2c(nn1)Cc3ccc(c(C#N)c3)F)O	9687
+c1(cc(cc(C)c1-c2c3ccccc3c(nn2)O)C)C	1055
+c1(Cl)cc(cc(Cl)c1)Oc2c(CC)n(CC(NN)=O)nc2CC	561
+c1(cccc(c1)-c2n[nH]c3nc(Cl)ncc23)Br	9688
+c1(ccc2[nH]c(c(Cc3c4c(cccc4)c(nn3)O)c2c1)C)Cl	1922
+c1(cccc(C(NN)=O)c1)N2C(=O)c3c(nc(SC)nc3)N4C(CCC4)C2	898
+c1cc(c(NN)nc1)-c2ccccn2	383
+c1(n(c2cc(C(=O)NN)cc(C)c2n1)Cc3ccc4c(CCc5c(C4=CC#N)cccc5)c3)CCC	898
+c1c2c3[nH]nc(C)c3c(O)nc2cc4CCCCc14	3093
+NNC(c1ncc2c(c1)cc(cc2)F)=O	1726
+c12c(c(O)nc3c1cc4ccccc4c3)c(C)n[nH]2	3093
+c1c(-c2cc3c(cc2)c(N)[nH]n3)nc(nc1N4CC(CCC4C)C(NCc5ccccc5F)=O)N	575
+c1c(-c2cncc(Nc3ccc(I)cc3F)c2C(NN)=O)c(ccc1)Cl	898
+NNC(c1cc(Br)c(Cl)cc1)=O	296
+s1ccc(c1)-c2c3ccccc3c(nn2)O	9689
+c1c(nn(Cc2n[nH]c3cc(nc(C)c23)C)c1C)C	9690
+c1(cc(cc(Cl)c1O)C(=O)NN)Cl	1094
+c1c2c(c(n[nH]2)N)c(F)cc1	575
+c1c(F)cc(cc1C(=O)c2ccc3c(c(n[nH]3)N)c2)F	575
+c1c(F)cc(cc1Cc2cc3c(cc2)n[nH]c3N)F	575
+c1c(I)cc(c(NC2=CC(=O)N(C)C=C2C(NN)=O)c1)F	9691
+c1c(OC)cc(cc1Nc2c(C(NN)=O)cccn2)OC	1872
+c1([nH]nc2c1cccc2F)-c3ccc(OC)cc3OC	1216
+c1c(cc2c(c1OC)[nH]nc2-c3cc(F)ccc3)C#N	1216
+c1c(cc2c(n[nH]c2c1)CC)Br	4851
+c1c(cc2c(n[nH]c2c1)CCC)Br	4851
+NNC(c1ccc(cc1OC)Br)=O	898
+NNC(=O)c1c(c(c2n(ccn2)c1)Cl)Nc3c(F)cc(cc3)Br	1325
+c12c3c(-c4c(C)c([N+]([O-])=O)ccc4)nnc(O)c3[nH]c1cc(cc2)Br	9692
+c1c(cc2c(c1)ncc(NN)n2)Br	1386
+c1(c(cc(nn1)Cl)C)NN	599
+c1(cc(OCc2ccc3ccccc3c2)cc(C(NN)=O)c1)[N+]([O-])=O	296
+N(c1nc2ccccc2nc1Cl)N	1386
+c1c2c(ccc1OC)nc3c(c2)c(n[nH]3)N	9693
+c1cc(ncc1Br)NN	2568
+[nH]1c(-c2n[nH]c3ncccc23)ccc1C(NC)=O	2410
+c12c(C(N(c3c(cccc3)C)C=C1)=O)c([nH]n2)N	4852
+c1cc(cc2nc(c(nc12)NN)OC)OC	1386
+c1ccccc1-c2c3c(nc(NN)c2)ccc(Br)c3	2572
+c1ccccc1-c2cc3c(N)n[nH]c3nc2	1448
+c1cc(ccc1)-c2nc(oc2-c3cnc(NN)cc3)C	383
+c1ccccc1-c2cnc(NN)cn2	2839
+c1cc(ccc1)-c2nnc(O)c3c2ccc(c3)OC	1055
+c1cc(ccc1)C(NC(Nc2nc(c3c(c2)n[nH]c3N)COC)=O)C	3094
+c1cc(ccc1)C=2c3c(C(N(C=2)c4ccccc4C)=O)c(n[nH]3)N	4852
+c1cc(ccc1)Cc2nnc(O)c3c2c(cc(OC)c3)OC	1922
+c1cc(ccc1)COCn2c(-c3ccc(c(OC4CC4)c3)OC(F)F)c(c5c(nncc25)O)Cc6c(F)cccc6	9694
+c1cc(ccc1)Nc2cc(-c3cc(c4c(c3)n[nH]c4N)F)nc(n2)N	9695
+c1cc(ccc1)OCc2c3c(cc(OC)cc3)c(O)nn2	1922
+c1cc(ccc1)Oc2ccc(cc2)-c3nc(cc4[nH]nc(N)c34)C5CCN(CC5)C(=O)OCc6ccccc6	3094
+c1cc(ccc1-c2c(n(c(-c3ccccn3)n2)C)I)C(=O)NN	296
+c1cc(ccc1-c2nc3c(cc2)c(n[nH]3)N)N	1448
+c1cc(ccc1-c2cnc(NN)nn2)C(OC)=O	4853
+c1cc(ccc1-c2nc(c(N)nc2)C(=O)NN)C(=O)N(C)C	4742
+c1cc(ccc1Oc2ccccc2)-c3nc(-c4ccc(cc4)NC(C)=O)cc5n[nH]c(c35)N	3094
+c1cc(ccc1-c2cn3c(ccc(c3)I)n2)-c4ccn[nH]4	927
+c1ccccc1-c2c(nc3c(c(ncc3)NN)c2)-c4ccc(cc4)C5OCCO5	9696
+c1cc(ccc1-c2ccn[nH]2)Br	927
+c1cc(ccc1Br)-c2c([nH]nc2C)-c3c(cc(c(c3)Cl)O)O	9697
+c1cc(ccc1-c2c3Cc4c(ccs4)-c3n[nH]2)Br	9698
+c1cc(ccc1C2=NNC(CC2)=O)CCOC(=O)C	2388
+c1cc(ccc1OCCCCCCOC)C(=O)NN	296
+c1cc(ccc1C(NN)=O)C#N	1094
+c1cc(ccc1[N+](=O)[O-])C=2c3cc4c(cc3CC(=O)NN=2)OCO4	9699
+c1cc(ccc1-c2nnc(O)c3cc(OC)ccc23)-c4nn(C)nn4	1055
+c1cc(ccc1C(Nc2cccc(C(=O)NN)c2)=O)C#N	296
+c1cc(ccc1C(NN)=O)I	296
+c1cc(ccc1-c2nnc(O)c3ncccc23)-n4ccnc4	9700
+c1cc(ccc1-c2nnc(c3cc(F)ccc23)O)F	1055
+c1cc(ccc1C2(CCN(CC2)C(=O)c3cc(c(cc3CC)C4CCC4)C(NN)=O)F)C#N	296
+c1cc(ccc1Br)C2C(C2)CC(=O)NN	355
+c1cc(ccc1CC(=O)OC)Oc2cc(NC(=S)NN)ccc2	4757
+c1cc(ccc1CCc2cc(C(OCC)=O)[nH]n2)OC	2889
+c1cc(ccc1C(NN)=O)CCCCCCCCCCCC	296
+c1cc(ccc1CN2C(c3cc(ccc3N=C2)CC(NN)=O)=O)OC	561
+c1cc(ccc1Cc2n(c(nn2)N)N)F	9701
+c1cnccc1-c2c(nccc2-c3ccc(cc3)Cl)NN	383
+c1cc(ccn1)-c2c(NN)nncc2-c3ccc(cc3)Cl	599
+c1cc(ccc1Cl)C=2CCC(=O)NN=2	2388
+c1cc(ccc1C2N(C(c3[nH]nc(C)c23)=O)c4cn5c(C)nnc5c(C)c4)Cl	9702
+c1cc(ccc1Cl)Nc2c3ncn(CCOCC)c3nc(NN)n2	1657
+c1cc(ccc1Cl)Nc2nc(nc3c2ncn3C)NN	1657
+c1cc(ccc1F)-c2cc([nH]n2)C(OCC)=O	4854
+c1cc(ccc1F)C(C)(C)CNc2ncc(cn2)-c3ccc4c(c(n[nH]4)N)c3	575
+c1cc(ccc1F)CC(=O)NN	561
+c1cc(ccc1NC(=O)c2c(cccc2)F)C(NN)=O	296
+c1cc(ccc1C(=O)NN)NC(CCCCC)=O	296
+c1cc(ccc1C(NN)=O)NC(CCc2cc3c(OCO3)cc2)=O	296
+c1cc(ccc1C(NN)=O)NC(CCc2ccc(c(c2)O)O)=O	296
+c1cc(ccc1NS(=O)(=O)C)-c2ccc(NN)nn2	599
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3nc4n[nH]c(N)c4nc3	9703
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3nc4c(c(C)[nH]n4)nc3	9704
+c1cc(ccc1-c2cc([nH]n2)C(OCC)=O)OC	4854
+c1cc(ccc1OC)-c2n[nH]c3c(cccc23)F	1216
+c1cc(ccc1OC)-c2[nH]nc3c(cccc23)Cl	1216
+c1cc(ccc1OC)-c2[nH]nc3c(C)cccc23	1216
+c1cc(ccc1OC)N2CCN(CC2)c3ccc(cc3)NC(=O)NN	9705
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)Nc3nnc(N)[nH]3	3024
+C1COCCN1CCOc2ccc(cc2)C=Cc3n[nH]c(c3)C=Cc4ccc5cc[nH]c5c4	9706
+c1cc(ccn1)C2C(=NNC(C2)=O)c3ccc4c(c3)cccc4	4105
+Cc1n[nH]c2c1c(O)nc3ccc(I)cc23	3093
+c12cc(NN)ccc1c(ncc2Br)N	2092
+NNC(c1cccc(c1)I)=O	296
+c1cc(ccc1)-c2cc3c(ccc3)oc2CC(=O)NN	743
+c1ccccc1-c2nc(C3CN(CCO3)c4nc(N)nc(-c5ccc6c([nH]nc6N)c5)c4)[nH]c2	575
+c1cc(ccc1C=2N(c3ccc(cc3)Cl)C(=O)c4cnn(c4N=2)-c5ccccc5)-c6[nH]ncc6	927
+c1ccccc1C2C(CCCCC)=NNC2	9707
+c1ccccc1C(=O)N2Cc3c(nnc(NN)c3)CC2	599
+c1ccccc1CNC(=O)c2cnc(NN)cc2	383
+c1ccccc1COc2c(C#N)c(NN)ncc2	2568
+c1ccccc1COc2cc(NN)ncc2	383
+c1ccccc1COc2ccc(c(F)c2)-c3cc(N)[nH]n3	1941
+c1cc(ccc1OCc2ccccc2)-c3n[nH]c4c3ncc(c4)F	9708
+c1ccccc1COc2cnc(cc2O)C(=O)NN	2944
+c1cc(ccc1)OCc2[nH]nc(C(=O)OCC)c2	2889
+c1ccccc1Oc2ncc(cn2)-c3[nH]nc(C(=O)OCC)c3	9709
+c1cc(ccc1)S(=O)(=O)c2c([nH]c3ccc(cc23)Cl)NN	9710
+Ic1ccnc(NN)c1Cl	383
+c1cc(ccn1)-c2c(c(NN)nc(n2)NC(C)(C)c3ccccc3)-c4ccc(cc4)F	1021
+c1cnccc1-c2nc3c(cc(nn3c2)NN)N4CCOCC4	599
+c1c(c(ccc1)F)-c2nnc(nc2)NN	4853
+c1ncncc1Cn2c3ncc(F)cc3c(C(NN)=N)n2	3554
+n1(C)ncc(-c2nnc(cc2)NN)c1	599
+n1(C)ncc(-c2cnc(c(c2)F)NN)c1	1606
+n1c(SC)nccc1-c2c(-c3occc3)nc4c(c(n[nH]4)N)c2	1448
+c1c(c(ccc1)-c2nc(nc(NN)c2)CC)OC	1021
+n1c(CCl)nc(c2cc(C)ccc12)NN	1021
+n1c(-n2ncc3c(ncnc23)NN)cccc1	9711
+NNC(=O)c1noc(c1)-c2cc(F)ccc2	2944
+C(C)OC(c1nn(c(CC)c1)C)=O	2202
+[nH]1c2c(c3c(cn2)cnn3C)cc1	9712
+c1(F)cccc(F)c1-c2c(N)n(nc2C)C	4855
+c1(F)cc(cc(F)c1-c2c(n(nc2C)C)N)OC	4855
+O=C1CC(=NN1C)c2c(cccc2)Cl	4856
+c1cc(ccc1-c2cncc3n(C)nc(N)c23)N	9713
+c1cc(ccc1-c2n(nc(c2)C)C)F	2514
+c1cc(ccc1Cl)Nc2c(Cl)cc(-c3n(nc(C)c3)C)cn2	9714
+C1(c2c(C(=O)N1CCc3cc(C(OCC)=O)nn3C)cccc2)=O	2202
+c1cc(ccc1)C=2CC(=O)N(C)N=2	4856
+c1(c(C(=O)NNC(C)=O)cc(Br)cn1)N	2716
+c1(cc-2c(cc1Br)CCc3nnc(C)n-23)F	1447
+c12c(C(=O)N(C1=O)C(c3cc4c(nc3C(=O)NNC(=O)C)c(Cl)ccc4)C)cccc2	4191
+n1c2CCc3c(cc(Cl)c(c3)Br)-n2c(C)n1	1447
+c1cc(ccc1)Oc2cc(Br)cnc2Nc3nc(cs3)CCC(=O)NNC(=O)C	1038
+c1cc(ccc1C(NNC(C)=O)=O)Oc2cc(cc(c2)OCc3ccccc3)C(OC)=O	2524
+c1c(Br)cc2c(c1)-n3c(nnc3C)CC2	1447
+CC(c1nnc2n1nc(cc2)Cl)c3c(cc4ncccc4c3F)F	2102
+c1cc(c(c2C(C(=O)Nc12)=NNC(=O)Cc3ccc(c(Cl)c3)O)Cl)C(=O)O	4857
+c1cc(ccc1-c2cc(n(n2)C(N)=O)N)F	9715
+C1N(Cc2n(c(-c3ccc(cn3)F)nn2)C1)C(=O)c4c(c(c(cc4)F)Cl)Cl	9716
+c1ccccc1C(C)=NNC(c2c(c(ccc2)[N+]([O-])=O)O)=O	2085
+[N-]=[N+]=NC(c1noc(c1)-c2cc(F)ccc2)=O	2279
+c1cc(ccn1)-c2nnc(C(C)NC(c3sccc3)=O)[nH]2	9717
+Nc1sc(C(C)F)nn1	1087
+Fc1cc(cc(F)c1-c2nnc(N)s2)Br	9718
+c1ccccc1C(CNC(=O)C)=NNC(N)=S	9719
+c1ccccc1CC(Nc2nnc(CCCCc3nnc(N)s3)cc2)=O	3054
+c1cc(ccc1N2CCC(CC2)OC3CCCCC3)-c4sc(nn4)N	3904
+c1cc(ccc1Cl)OCC(=O)NNC(=S)N	9720
+NC(=S)NNC(c1ccc2c(c1)cc(nc2)F)=O	3046
+c1(cc(N(CC)C(C)=O)ccc1)-c2ccc3nnc(NC)n3n2	9721
+c1(cccc(C)c1Nc2c(nc3ccc(F)cn23)-c4c(C(=O)NNC(=S)NC)cccc4)C	3046
+c1cc(ccc1Cl)C(NNC(c2ccc(c(c2)O)C)=O)=O	1601
+N=1NC(OC=1c2cc3c(occ3)cc2)=S	1770
+[N-]=[N+]=NC(=O)c1ncc2c(c1)cc(cc2)F	2279
+C(C)OC(c1cc(-c2ccc(cn2)C)n(-c3cccnc3)n1)=O	9722
+c1cc2n(-c3cccnc3)ncc2cc1I	9723
+O=S1(=O)Nc2c(c(ccc2)Br)CN1C	9724
+O(CC)C(OCC)c1cc2c(c(N3CCN(CC3)S(=O)(=O)N)cnc2)o1	2694
+O=S1(=O)Nc2c(cccc2)N1c3c(C)cc(cc3)F	3095
+c1cc(ccc1COC2CN(CC2)S(=O)(=O)N)OC	2694
+c1cc(ccc1F)CN2CC(N(CC2C)C(COc3c(CC(NS(=O)(=O)N)=O)cc(Cl)cc3)=O)C	344
+O=S1(=O)N(c2ccccc2N1)c3c(C)cccc3	3095
+O=S1(=O)Nc2c(N1c3ccccc3F)cccc2	3095
+c1(Cl)cc(Br)c(O)nc1	3021
+c1ccccc1Oc2cc(cnc2N)Cl	706
+Nc1cc(cc(Br)c1[N+]([O-])=O)Br	9725
+c1(cc2ccc(-c3c(N)nccc3)cc2cc1)OC	89
+c1cc(ccc1-c2cccnc2N)O	89
+c1cc(ccc1)Oc2c(nccc2)N	706
+c1cc(ccc1F)-c2cccnc2N	89
+N1=CN(C(c2scc(Br)c12)=O)C	9726
+Nc1c(Br)csc1C(=O)O	1
+CC1(C)Cc2c(O1)cc(cc2-c3cnc(N)c(c3C)C#N)Cl	89
+c1cc(ccc1)Oc2c(C#N)c(N)ccc2	46
+c1cc(ccn1)C(NC2CCC(CC2)COc3cccc(N)c3C#N)=O	57
+n1nn[nH]c1-c2c(N)nc(Cl)nc2	4335
+c1cc(ccc1Nc2nc(c(C#N)cn2)N)C(NCCCn3ccnc3)=O	55
+c1(NC(C)=O)c(C(=O)C)cc(c(C)c1)Br	26
+COc1c(cc2nncc(c2c1)O)CC	4858
+COc1c(cc2c(nncc2O)c1)CC	4858
+O=C(OCC)C(=O)Nc1c(C(=O)N)cc(C)cc1	994
+c1(O)nc(COCCc2cccc(F)c2)nc3c1cncn3	9727
+n1c([nH]c2ncccc12)-c3cc(Br)cnc3N	9728
+Nc1c(cc(C#N)cc1)C(=O)O	1
+c1c(C)cc(cc1CC(Nc2c(C(OC)=O)cc(c(Cl)c2)[N+](=O)[O-])=O)C	26
+Nc1c(CO)cnc(Cl)c1	295
+Fc1cccc(F)c1-c2c(F)cc(c(C(=O)OC)n2)N	119
+c1(-c2csc(n2)-c3cncnc3N)cc([N+]([O-])=O)ccc1	9729
+c1cc(ccc1C)S(=O)(=O)N(CC)c2cc(-c3ccnc4c(cnn34)C(c5occc5)=O)ccc2	2214
+Nc1cc(cc(C)c1N)Br	0
+N(O)C(c1ccc(C)c(N)c1)=N	181
+c1cccn2c1ncc2C(Nc3c(C)ccc(c3)C#N)=O	466
+c1(C)c(C(Nc2c(C)c(C(OC)=O)ccc2C)=O)cc(cc1)Br	67
+n1c(Nc2c(C)ccc(CO)c2)ccnc1Cl	73
+c1(C)c(cc(cc1)F)NC(C)=O	26
+c1(OC)cc(C(=O)Nc2c(c(ccc2C)O)C)cc(-c3cc(F)ccc3)c1	67
+c1c(c(c(C(Nc2c(C)c(ccc2C)O)=O)cc1-c3cc(ccc3)F)F)C	67
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5cc([N+]([O-])=O)ccc5C)=O)n2	50
+n1c(Nc2c(C)ccc([N+]([O-])=O)c2)ccnc1Cl	73
+c1c(c(c(C)cc1)N)C(Nc2cccc(Br)c2C)=O	67
+Clc1cc(C(=O)O)c(N)c(C)c1	196
+Cc1c2c(c(ncn2)O)ccc1	1116
+c1(c(c(ccc1)O)NC=2C(C(=O)C=2OCC)=O)C	1771
+c1c(Br)c(Cl)ccc1C(=O)Nc2c(cccc2C)O	50
+N1c2c(C)cccc2OC1=O	3096
+Cc1c(O)c(ccc1)Oc2c(F)cccc2	956
+C(=O)(O)C=Cc1c(NC(C)=O)cc(Cl)c(OC)c1	26
+c1(ccc(Cl)c(-c2c(N)nc3c(c2)cncc3)c1Cl)[N+]([O-])=O	9730
+O=Cc1cc(Br)c(Cl)cc1N	39
+Nc1c(C=O)cnc(Cl)c1	200
+c1ccccc1COCCCC(CC(Nc2c(Cl)cc(cc2)C)=O)c3c(C4CC4)c(-c5cnc(s5)CC(C)C)on3	33
+c1ccccc1N2N(C(=C(C(Nc3cc(F)c(O)cc3Cl)=O)C2=O)C)C	1349
+n1(C(c2cc(c(N)c3OCOc23)Cl)=O)ccnc1	4859
+c1ccccc1COC(=O)Nc2ccc(C(=O)OC)cc2Cl	90
+Nc1cc(ccn1)Oc2ccc(N)c(Cl)c2	242
+c1(cc2c(nccc2Oc3ccc(N)c(Cl)c3)cc1OCCOC)C(=O)OC	242
+c1(c(ccc(Oc2ccnc3c2cc(c(OC)c3)OC)c1)N)Cl	242
+Nc1c(Cl)cc(cc1)Oc2c3cc(C#N)c(OCC4CO4)cc3ncc2	267
+c12c(C(OC(c3cc(Cl)nn3-c4c(Cl)cccn4)=N1)=O)cc(cc2Cl)I	2241
+c12c(NC(S1)=S)cc(C#N)cc2	9731
+Nc1c(c(ccc1Cl)CN)Cl	162
+c1(cccc(F)c1N2C(C=CC(C(Nc3c(Cl)ccc(C(O)=O)c3)=O)=C2)=O)F	9732
+O=S(=O)(Nc1cc(ccc1Cl)CO)c2ccc(c(c2)OC)OC	69
+c1cc(ccc1F)Nc2cc(F)ccc2Cl	230
+Nc1c(Cl)ccc(C(=O)O)c1	1
+c1c(CO)c(N)c(Cl)cc1	98
+c1(F)cccc(F)c1COc2nc(C)cnc2N	799
+O=S(=O)(Nc1cc(Br)cnc1Cl)c2ccccc2	322
+Nc1cc(N)cnc1Cl	13
+CC(Nc1c(Cl)nn(-c2cccnc2)c1)=O	4708
+c1([N+]([O-])=O)cc2c(cc1F)ncnc2Nc3c(F)c(c(Cl)cc3)Cl	73
+Nc1c(c(ccc1Cl)CN)F	162
+O=S(=O)(C)Nc1c(F)cc(C=C)cc1	80
+c1cnc(C)cc1Oc2cc(F)c(N)cc2	242
+O=S(=O)(Nc1c(ccc([N+](=O)[O-])c1)F)C	80
+c12c(NC(S1)=S)cc([N+]([O-])=O)cc2	9733
+Cc1nc2ccc(c(c2[nH]1)C)[N+]([O-])=O	442
+c12c(nc[nH]1)c(C)c(cc2)[N+]([O-])=O	631
+c12c(nc[nH]1)c(Cl)c(cc2)Br	631
+C(c1ccc2[nH]nnc2c1C)(=O)OC	1714
+c1c(c(c2NC(C(=O)Nc2c1)=O)C)C	2966
+c12c(nc[nH]1)c(c(cc2)Br)C	631
+Cc1nc2c(c(cc([N+]([O-])=O)c2)Br)[nH]1	442
+c1cc2c(n(C)nn2)c3c1NC(C(=O)N3)=O	9734
+c1([nH]c2cc(c(Cl)cc2n1)Cl)-c3c(Cl)nccc3	4860
+COc1ccc(-c2nc3c(cc(c(Cl)c3)Cl)[nH]2)cc1[N+](=O)[O-]	622
+c1ccccc1COc2cc(OC)c(-c3nc4nc(ncc4[nH]3)Cl)cc2	4672
+Nc1c(NC(C)=O)c(Br)c(c(c1)C(=O)O)O	1
+COc1cc(cc(OC)c1)C2=Nc3c(nc(Cl)nc3)N(C)C2=O	9735
+c1c(c(-c2nc3c(n2CCO)nc(nc3Cl)C)ccc1)Cl	4168
+N1C(=S)Oc2c1ccnc2Br	9736
+Oc1c(cccc1NN=C2C(=O)N(c3ccc4CCCc4c3)N=C2C)-c5ccc(C(=O)O)o5	4436
+CCOC(=O)c1c(C)nc2c(O)cc(F)cn12	1316
+c1cc(ccc1C#N)Oc2cccnc2N	551
+c1cc(ccn1)C(=O)Nc2c(nc(nc2)Cl)O	4861
+Nc1c(N)c(c(cc1)Br)C	0
+Nc1c([N+]([O-])=O)c(C)cc(F)c1	4862
+O=S(=O)(Nc1c(F)c(ccc1)C(=O)OC)c2c(F)ccc(c2)F	69
+c12[nH]c(nc1cc(cc2C)Br)CCC	791
+Cc1c(Cl)c(Br)ccc1	480
+c12c(Cl)c(ccc1n[nH]c2)Br	1559
+c1cc(ccc1)CCNC(c2c(N)ccnc2Cl)=O	56
+Nc1c(c(Cl)ncc1)C(=O)O	1
+c12cnc(Cl)c(F)c1c3c(nccc3)[nH]2	4863
+c1c2NC(=O)Nc2c(F)cc1	2280
+C12NCCOC1CN(CC2)c3c(c(N)cc(C#N)c3)Cl	15
+c1(C(=O)O)cc(c(c([N+]([O-])=O)c1)C)O	606
+Nc1c(N)c(c(C(=O)OC)cc1)C	0
+C1CC1c2c(c(Cl)c(N)cc2F)F	365
+Nc1c(C)c(c(cc1)C#N)F	180
+c1c(ccc(Oc2c(c(N)ccc2Br)[N+]([O-])=O)c1F)F	46
+C1CC1N(c2nc(Nc3c(Cl)c(C(CCO)C)cc(C#N)c3)nn4c(C#N)cnc24)Cc5ccc(cc5)OC	9737
+Nc1cc(cc(c1I)OCC)CO	98
+Nc1c(Cl)ccc(O)c1C	196
+c1c(I)cc(c(Nc2cc(cc(Oc3c(c(N)ccc3)C)c2[N+]([O-])=O)F)c1)F	46
+O=S(=O)(Nc1cc(c2C3CC3COc2c1C(OC)=O)F)c4c(Br)cc(F)cc4	69
+O=S(=O)(c1ccc(F)cc1Br)Nc2ccc3c(c2C(=O)OC)OCC4CC34	69
+O=S(=O)(c1c(CC2CN3CCC2CC3)cc(F)cc1)Nc4ccc5c(c4C(=O)OC)OCC6CC56	69
+c1ccccc1COC(=O)NC(NC(=O)OCc2ccccc2)=Nc3cc(c4c(c3C)nc[nH]4)C	9738
+n1cc(c(Nc2c(c3cc[nH]c3cc2)C)c(C#N)c1)I	179
+Nc1c(CO)cc(Br)c(Cl)c1	49
+c1(c(N)cc(Cl)c(c1)Br)O	5
+c1(NCc2ccc3c(oc(SC)n3)c2)c(cc(Br)c(Cl)c1)[N+]([O-])=O	208
+Nc1c(C(=O)O)cc(Br)c2CCCN(C)c12	1
+O=S(=O)(NC1CC1)c2cccc(-c3cnc(N)c(c3)C(=O)N(C)OC)c2	89
+COCC#Cc1cc(F)c(Nc2c(F)c(ccc2C(=O)O)F)cc1	275
+c1ccccc1COC(c2cc(ccc2N)C#N)=O	470
+c1cc(ccc1)CSc2cc(C#N)ccc2N	1128
+c1cc(ccc1-c2cncc(n2)Nc3ccc(C(=O)O)cc3OC)O	4864
+c1ccccc1CCCN2c3nc(Nc4ccc(cc4OC)C(=O)O)ncc3N(C(=O)C(F)(F)C2)C	55
+O=C(c1ccccc1Sc2cc(ccc2N)C(=O)O)O	826
+O=S(=O)(c1ccccc1)Nc2c(C(=O)O)cc(cc2)CC	69
+c1ccccc1COC(Nc2c(cc(CO)cc2F)CCCC)=O	90
+Cc1c(Cl)cc(N)c(N)n1	13
+c12[nH]c(C)cc1cc(cn2)F	3840
+c1(c(N)cc(I)c(Cl)c1)N	0
+c1c(C)c(c(cc1-c2nc(O)c3c(n2)ccc([N+]([O-])=O)c3)C)O	748
+c1(c(Cl)cc(cc1)CNC(c2cc([N+]([O-])=O)ccc2N)=O)Cl	14
+c1(c(N)cc(C)c(c1)Br)O	5
+c1([N+]([O-])=O)cc(N)c(OC)cc1F	31
+O=S(=O)(C)Nc1cc(ccc1Nc2nc(Nc3ccc(cc3OC)OCCO)ncc2Cl)OC	55
+C1(=Nc2c(C)cc(cc2C(O1)=O)I)c3cc(nn3-c4ncccc4Cl)Cl	2241
+c1c(Br)cc([N+]([O-])=O)cc1F	480
+Nc1c(cc(cc1[N+]([O-])=O)F)C(=O)N	1079
+Nc1c(N)c(cc(F)c1)C(=O)N	0
+c1c2c(nc(c1)O)cc(F)cc2	9739
+c12c(ccc(F)c1cccn2)[N+]([O-])=O	4865
+c1ccccc1C(COc2cc(N)c(cc2)[N+]([O-])=O)N	57
+N1(C(Nc2c(ccc(OC)c2)CC1)=O)C	3764
+C(=O)(c1ccc([N+]([O-])=O)cc1NC(=O)Cc2ccc(c(c2)Cl)Cl)O	33
+c1([N+]([O-])=O)ccc(CC)c(c1)O	606
+c1ccccc1-c2n(-c3cc(ccc3O)[N+]([O-])=O)cc4N(C)C(N(C(=O)c24)C)=O	4866
+c1([N+]([O-])=O)ccc2c(NC(O2)=O)c1	3096
+Clc1c2c(c(ncn2)O)ccc1	1116
+c1cc(ccc1Cl)Oc2cc(CNC(c3c(N)nccc3)=O)ccc2	56
+c1cc(ccc1)N2C(Nc3ncccc3C2=O)=O	9740
+Nc1c(nc(NC)nc1)N	193
+Clc1cccc(Cl)c1C(Nc2c(n[nH]c2)C(OC)=O)=O	3452
+c1cc(ccc1C(Nc2c[nH]nc2C(OC)=O)=O)C	1404
+c1cc(ccc1-c2c(ccc(OC)n2)N)N(C)C	119
+Cc1[nH]c2c(n1)cc(c(-c3occc3)n2)-c4ccncn4	2684
+c1cc(ccc1)COC(N(C(C)C(=O)Nc2ccc(nc2O)Br)C)=O	469
+c1(Cl)nc(C)nc2nc[nH]c12	9741
+n1n2c(c(N)cc(C(=O)OC)c2)nc1-c3cccs3	9742
+c1c(C(=O)Nc2c(ncnc2Cl)Nc3ccnc(Cl)c3)cc(F)cc1	3097
+Clc1cccc(Cl)c1Cc2[nH]c3c(c(ncn3)Cl)n2	9743
+c1(cccc(Cl)c1Nc2[nH]c3c(Cl)ncnc3n2)Cl	9744
+n1(cnc2c1ncnc2Cl)C3CC(CO)OC3	9745
+c1ccccc1COC(Nc2cccc3cc[nH]c23)=O	950
+c1cc(ccc1)OCc2cc(nc3sc(c(N)c23)C(=O)N)C	20
+O=S(=O)(CCCCCCCCCCCCCCCC)Nc1cccc2c1cc(cc2)O	80
+N(c1cccc2cnc(cc12)COC)=C=S	9746
+c1ccccc1OC(Nc2noc3c2cccc3)=O	278
+c1cc(ccc1)Cn2ncc(c2)C(Nc3c4cc(Br)cnc4[nH]c3)=O	4371
+c1(nc2c(o1)ccc(c2)C(C)C(Nc3c4cccc(F)c4ncc3)=O)-c5c(Cl)cccc5F	33
+O=S(=O)(C)c1cc(c(cc1)OC)C(=O)Nc2c(-c3ncccc3)[nH]nc2	1404
+c1cc(ccc1OCc2nccc(c2)Cl)C(=O)Nc3cc(ccc3C)-c4ncc[nH]4	67
+Nc1cc(ccn1)-c2c(nc3cccnn23)-c4cc(c(cc4)F)C	1288
+c1cc(ccc1)OC(=O)Nc2cc(-c3n(nnn3)C)cc(CC)c2	90
+O=S(=O)(Nc1c(ncc(c1)Br)N)C	1374
+c1(-c2nc3c([nH]2)ncc(c3)Br)c(Cl)ccc([N+]([O-])=O)c1	2245
+c1cc(ccc1CNc2cc(c(c(c2)N3CCCC3=O)F)C(OC)=O)OC	208
+O=S(=O)(C)Nc1cc(c(cc1)Br)C(=O)OC	80
+c1c(-c2c(C(OC)=O)cc(N)cc2)c(ccc1)Br	11
+c1ccccc1COC(NC(C(Nc2ccc(O)c(C(OC)=O)c2)=O)CC(C)C)=O	33
+Nc1cc(C)c(CCC(OC)=O)cc1-c2cc3cnn(C)c3cc2	11
+c1cc(ccc1C#N)Nc2cc(c(Br)cc2)C	275
+c1cc(ccc1-c2ccc(N)cc2C)C(O)=O	11
+c1c2c(nccc2)cc(C)c1Br	9747
+c1c(C)c(Br)cc(N)c1N	0
+n1ccc(OC)nc1Nc2cc(C)cc(-c3sc(nc3Cl)N4CCCNC(=O)C4)c2	55
+O=C(Nc1c(ccc(C(OC)=O)c1)C)c2cc3cc(OC)c(OC)cc3nc2O	9748
+O(c1ccnc(c1)Cl)c2c(ccc(C(Nc3c(F)ccc(c3)C)=O)c2)F	4867
+c1ccccc1C=Nc2c(ccc(C)c2)O	457
+c1ccccc1C(=O)Nc2cc(C)ccc2[N+](=O)[O-]	50
+c1cc(ccc1Br)S(=O)(=O)Nc2onc(c2)C	4506
+c1cc(ccc1)OC(Nc2cc(no2)C)=O	4799
+N1C(=O)C(CCCC1)Nc2cc(c(cc2)C#N)Nc3cc(C)ns3	2170
+c1c2c([nH]cc2CC(C(N)=O)Nc3ccc(c(Nc4cc(ns4)C)c3)C#N)ccc1	2170
+c1ccccc1C(C(=O)N)Nc2ccc(C#N)c(c2)Nc3snc(C)c3	2170
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(c3)-c4cccc(C(=O)NC(C)(C)C(Nc5noc(C)c5)=O)c4)o2	142
+n1n(CCCc2ncc(cc2C)Br)c3ncc(cc3n1)Cc4cnccc4	9749
+C(c1c(Cl)cc(N)c(C#N)c1)CC	4868
+Nc1cc(Cl)c(cc1C#N)C	180
+O=S(=O)(Nc1cc(cnc1Br)Cl)c2cc(C)c(cc2)Cl	322
+O=S(=O)(Nc1cc(cnc1Br)Cl)c2ccc(c(CC)c2)Cl	322
+n1c(C(=O)OC)c(c(N)c(Cl)c1Cl)Br	395
+Nc1cc(Cl)nc(Cl)c1N	13
+C(COc1nc(Cl)cc(N)c1[N+](=O)[O-])O	91
+c1(C)cccc(C)c1CNc2c(c(nc(Cl)c2)Cl)[N+]([O-])=O	1731
+c12c(n(cn1)C)cc(nc2)Cl	9750
+c1(C)cc(Nc2ncc(c(N)c2)[N+]([O-])=O)nc(C)n1	346
+Nc1cc(F)c(C#N)c(Cl)c1	180
+c1ccccc1COC(Nc2ccc(c(F)c2)N3CC(=O)N(CC3)CC)=O	90
+c12OCOc1cc3C4(c5ccccc5N(C4=O)Cc6[nH]c7cc(ccc7n6)F)COc3c2	442
+S(C)c1cc(N)c(cc1Cl)Br	1524
+c1cc(ccc1)OC(NC#N)=Nc2cc(c(Cl)nc2)N	9751
+O=S(=O)(Nc1ccc(C(O)=O)c(c1)O)c2cc(c(s2)Cl)Br	1063
+O=S(=O)(c1cc(Cl)sc1Cl)Nc2ccc(C(O)=O)c(c2)O	4869
+O=S(=O)(c1cccc(c1)Br)Nc2cc(c(C(O)=O)cc2)O	69
+[N-]=[N+]=Nc1cc(O)c(cc1)C(=O)O	615
+c1cc(ccc1-c2ccc(cc2)S(=O)(=O)OCC(Nc3cc(c(C(=O)O)cc3)O)=O)Cl	26
+O=C(O)c1cc(N)c(N)cc1O	0
+COc1c(C)ccc(c1)O	477
+NC(=S)Nc1cc(OC)c(Cl)cc1	3098
+c1(cc2c(nc(c(c2)CNc3cc(OC)c(cc3)C#N)O)cc1O)Cl	2116
+Nc1cc(O)c(cc1Cl)C(=O)O	5
+c1cc(ccc1)CN2CC(OCC2)CCCNC(c3cc(Cl)c(N)cc3OC)=O	14
+c1cc(ccc1-c2cncc(Nc3c(Cl)cc(c(OC)c3)C(=O)O)n2)O	4864
+Nc1cc(OC)ccc1CO	49
+O=Cc1ccc(OC)cc1N	39
+c1cc(ccc1)COc2ccc(c(n2)C)Nc3cc(OC)ccc3Cl	1674
+c1cc(ccn1)C(Nc2cc(OC)ccc2O)=O	50
+c12c(ncnc1cc(OCC#C)c(OC)c2)O	4870
+c1cc(ccc1Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O)C#N	2175
+c1cc(ccc1S(=O)(=O)C)Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O	2175
+c1cc(ccc1Cc2c(CC)nc3c(c2O)c(OCC(=O)OC)ccc3F)-n4cccn4	2175
+CN(C)C=Nc1cc(c(cc1C#N)OC)OCCOC	2275
+CSc1ccc(N)c(N)c1	0
+n1cc(cnc1Nc2cc([N+]([O-])=O)c(cc2)C)Br	55
+c1c(c(C)ccc1O)C#N	606
+O=C1c2c(cccc2)C(=O)N1c3ccc(c(F)c3)C	668
+c1ccccc1C(Nc2ccc(c(O)c2)C)=O	50
+Nc1c(Cl)cc(cc1)CO	3099
+Clc1ccc(cc1F)Nc2c([N+]([O-])=O)cccn2	201
+n1ccc(nc1Nc2cc(c(Cl)cc2)O)N	55
+n1c(ccnc1Cl)Nc2cc(c(F)cc2)C#N	73
+O=S(=O)(C)Nc1ccc(F)c(c1)C(=O)C	80
+COc1c(ccc(N=C=S)c1)-n2cnc(Cl)c2	1381
+c1cc(ccc1Cl)C2c3nc(nc(c3CC2)N(C)C)Nc4cc(OC)c(cc4)-n5cc(nc5)Cl	55
+c1cc(ccc1C2c3c(c(N4CCC(CC4)(O)C)nc(Nc5ccc(c(OC)c5)-n6cc(nc6)Cl)n3)CC2)F	55
+c1ccccc1C2c3nc(Nc4ccc(c(c4)OC)-n5cc(nc5)Cl)nc(NC)c3C(C2)=O	55
+C1CC1c2ccc(N)cc2C#N	365
+COc1c(ccc(NC(C)=O)c1)CC	26
+Clc1ccc(CC)c([N+]([O-])=O)c1	1030
+c1cc(ccc1Oc2c(ccc(N)c2)[N+](=O)[O-])C=C	46
+C1CC1c2c(cc(c(Cl)c2)OC)N	365
+Nc1cc(cc(c1N)Br)Br	0
+c1c(c(c(nc1)OC)-c2nc3c(c(C)cc(c3)Br)[nH]2)I	1637
+c12c(c(OC)cc(c1)C#N)[nH]c(n2)Nc3ccccc3Br	1701
+c1(c(c(N)cc(Br)c1Cl)C(=O)OC)F	196
+O=Cc1cc(N)c(c(c1)OCC)I	39
+O=S(=O)(c1c([N+](=O)[O-])cc(cc1)C)Nc2cc(OC)cc3cccnc23	322
+c1cc(cc(c1CC)O)C(=O)C	606
+c1cc(ccc1Cc2c(c3c(nc2C)c(Cl)ccc3O)C)Cl	9752
+c1(-c2[nH]c3ccc(C#N)cc3n2)c(Cl)ccc([N+]([O-])=O)c1	622
+c12[nH]cnc1ccc(C#N)c2	631
+c1cc(ccc1C#N)-c2cccc(-c3[nH]c4c(cc(C#N)cc4)n3)n2	567
+c1cc(ccn1)-c2nc3c(o2)ccc(CCC)c3	1328
+c1(ccc(cc1C)-c2nc3cccnn3c2-c4ccnc(NC(c5cc(nc(c5)C)Cl)=O)c4)F	650
+CC(C)CCNC(=O)n1c2c(cc(Oc3cc(ncc3)N)cc2)cc1	2121
+COc1c(cc(cn1)C(=O)OC)O	4871
+Nc1cc(C(=O)O)ncc1[N+](=O)[O-]	1
+c1c(C(OC)=O)ncc(N)c1N	13
+c1ccccc1COC(N2CCCC(C2)C(Nc3cc(-c4ccccc4OC)ncn3)=O)=O	195
+c1c(NC(C)=O)ccc2OCc3n(cc(C(=O)OC)n3)-c12	26
+Nc1cc2c(cc1F)C3=CC(=O)CCC3(CCCC)C2	2992
+c1(ccc2N(C(Cc2c1)=O)C(CF)C)NCC(O)C(OC)=O	1967
+c1cc(ccc1Nc2c3c(-c4ccncc4)cn(c3nc(Nc5cc6CCC(=O)N(c6cc5)C)n2)S(=O)(=O)c7ccc(cc7)C)F	55
+c1ccccc1Cc2cc(C(NC3C(=O)N(C)c4cc(N)ccc4OC3)=O)no2	712
+c12c(cc(Nc3ncc(c(Nc4c(cccc4)C(=O)NC)n3)Cl)cc1)OCCNC2=O	55
+c1cc(ccc1C2C(=C(NC(=O)C2)C)C(=O)Nc3ccc4c(c(Cl)n[nH]4)c3)F	4662
+c12nc[nH]c1nc(nc2Nc3cc4c(CCC4)cc3)Cl	1185
+c1ccccc1COC(Nc2ccc3cc[nH]c3c2)=O	90
+CC(C)(c1ccccc1)Nc2nc(Nc3cc4scnc4cc3)nc(OCc5ccccc5)n2	360
+c1c(NC(C)=O)c(cc2C3=CC(=O)CCC3(CCCC)Cc12)F	26
+c12c(Cl)ccnc1[nH]c3ccc(cc23)NC=O	753
+O=S(=O)(Nc1ccc2c(cc(cc2)Oc3ccnc4cc(c(OC)cc34)OC)c1)c5cc(ccc5)C	69
+CC(Nc1cc2ccc(c(OC)c2c3cc(C)ccc13)OC)=O	26
+c12c(ccnc1Nc3cc4cccnc4cc3)c(Br)ccc2	201
+n1c2c(ccc1)cc(N=C=S)cc2	1034
+n1(ncc2c1ccc(c2)NC(Nc3cccc(Oc4ccnc(c4)C(=O)OC)c3)=O)C	4767
+O=S(=O)(c1ccc(cc1)C)n2ccc3c(Nc4ccc5cnn(c5c4)C)nc(nc23)Cl	1665
+c1cc(ccc1C(Nc2cc3ncccc3cc2)=O)-c4c(cccn4)Cl	67
+c1cc(ccc1-c2ccc(cc2Cl)N)Cl	11
+Fc1cccc(F)c1-c2nc(c(N)cc2)C(=O)OC	119
+Nc1c(nc(cc1)Br)O	104
+O=S(=O)(C)Nc1ccc(c(c1)Cl)C#N	80
+Nc1ccc(c2CCOc12)C(=O)O	1
+c1nc(ccc1)C(=O)c2ccc(c(N)c2)N	0
+n1ccc(C)cc1NC(c2ccc(N)c([N+]([O-])=O)c2)=O	330
+c1ccccc1COC(=O)c2c(cccc2)C(=O)c3ccc(c(c3)[N+]([O-])=O)N	470
+C(=O)(c1c(c(ccc1C)O)C)O	606
+c1c(NN)ccc(C)c1Cl	427
+Cc1ccc(cc1I)NN	427
+Cc1c(c(c(cc1)O)C)[N+]([O-])=O	606
+C(C#N)c1cc(N)c(cc1)N	0
+O=S1(=O)COCCN1c2ccc(c(c2)Cl)C(Nc3ccc(Cl)c(-c4ccc5ncccc5n4)c3)=O	67
+O=S(=O)(Cc1ccc(cc1O)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)C	67
+O=S(=O)(Nc1c(Cl)c(c(cc1)Cl)C(=O)O)CCC	80
+O=S(=O)(c1cc(C(Nc2ccc(c(Br)c2)F)=O)c(C)s1)Cl	1899
+c1c(ncc2c1c(ncn2)Nc3ccc(F)c(Br)c3)F	2212
+c1cc(ccc1C(Nc2cc(c(F)cc2)Br)=O)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl	67
+O1CCOC12Cc3sc4ncnc(Nc5cc(c(F)cc5)Cl)c4c3CC2	1500
+c1c(ccc(F)c1Cl)NC=O	753
+N#Cc1c(c2c(nc1)c(Cl)cc(c2)[N+]([O-])=O)Nc3cc(Cl)c(cc3)F	179
+C(Oc1noc(C(Nc2cc(Cl)c(F)cc2)=O)c1)CCBr	768
+c1(c([N+]([O-])=O)cc2c(Nc3cc(Cl)c(F)cc3)c(C#N)cnc2c1)OC	179
+c1ccccc1-c2cc3c(sc([N+]([O-])=O)c3Nc4ccc(F)c(c4)Cl)cc2	9753
+n1c(ccnc1Cl)Nc2cc(Cl)c(F)cc2	73
+c1(ccc(Cl)cc1C)-c2ccc(N)cc2Cl	134
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3CCCN(C3=O)c4c(Cl)cc(N)cc4	883
+c1ccccc1C#Cc2cc(ccc2N)[N+]([O-])=O	455
+CN(C)C=Nc1c(C#N)cc(cc1)[N+]([O-])=O	2275
+c1cc(ccc1N(CCCCCCO)CC)N=Nc2c(cc(cc2)[N+]([O-])=O)C#N	725
+C(O)c1ccc(N)cc1Cl	49
+c1(Nc2ccc(cc2C#N)F)c(Cl)cnc(Cl)c1	2272
+c1cc(ccc1)C(=O)c2c(N)ccc(c2)F	705
+c1c(ncnc1NC)Nc2c([N+]([O-])=O)cc(C(=O)OC)cc2	73
+c1(C=O)cc(c(cc1)Oc2ccc(N)c([N+]([O-])=O)c2)Cl	46
+Clc1cccc(Cl)c1COc2cc(c(cc2)N)[N+](=O)[O-]	22
+c1(ccccc1COc2cc([N+]([O-])=O)c(N)cc2)C(OC)=O	22
+CSCOc1ccc(N)c(N)c1	0
+c1cc2c(c3NC(Nc13)=O)OC(CO)CC2	2280
+c1cc(c(c2c1cccc2)[N+](=O)[O-])Nc3cccc(C#N)c3	230
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(c3nc4n(c3cc2)CCC4)C(OC)=O	69
+N(c1ccc2c(nco2)c1C)=C=S	1695
+N(=C=S)c1ccc2c(nco2)c1CC	1695
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(c3c(n4CCCc4c3)cc2)C(=O)OC	69
+c1c2c(cc(N)c1)c(c3cc(N)ccc3n2)O	0
+c1(c(c(ccc1)O)C)Br	606
+Nc1c(C(Nc2cccc(c2C)Br)=O)ccc(F)c1	1768
+c1c(c([N+]([O-])=O)c(C(Nc2cccc(c2C)Br)=O)cc1F)F	67
+c1cccc(N)c1C(Nc2cccc(Br)c2C)=O	67
+c1(cc(ccc1Nc2c(c(C(=O)OC)ccc2)C)F)[N+]([O-])=O	230
+c1cc(ccc1)C(Nc2c(Cl)c(ccc2)C)=O	50
+C1CN(CCN1C(C)C)c2ccc(cc2)-c3nc4cccc(Cl)c4c(n3)O	748
+c1(cccc(C(Nc2c(C(O)=O)c(ccc2)Cl)=O)c1)F	50
+O(C)c1ccccc1NC(=O)c2c(cccc2Cl)N	67
+Clc1c(SCCCCl)c(ccc1)NN	427
+O=Cc1c(N)cccc1F	39
+c1c(c(Cl)c(F)cc1)NC=O	753
+O=S(=O)(c1cc2c(Nc3cccc(c3F)F)c(C(N)=O)nnc2c(c1)C)C	9754
+c1ccccc1COc2cc3ncnc(c3cc2)Nc4[nH]nc(c4)CC(Nc5c(c(F)ccc5)F)=O	33
+c1cc(ccc1Oc2ccc(cc2)CNc3cccc([N+]([O-])=O)c3C)CCC(O)=O	208
+CC(C)(c1c(N)cccc1OC)O	1033
+Nc1c(C(=O)O)c(F)ccc1O	9755
+Nc1cccc(c1CO)OC	49
+Nc1cccc(c1C)C(=C)C	1707
+O=Cc1c(N)cccc1OC	39
+O=C(c1c2c([nH]c(-c3c(F)cc(-c4cc(ccc4)OC)cc3)n2)ccc1)O	622
+Nc1cccc(OC)c1N	0
+Nc1cc([N+]([O-])=O)cc2CCOc12	31
+Nc1cccc2NCC(Cc12)O	15
+c12c(cccc1NC(N2)=O)NC=3C(C(=O)C=3OCC)=O	1771
+c12OC(C)Cc1cccc2NN	427
+O=S(=O)(Nc1cccc2c(c[nH]c12)C3(CC)c4ccc(cc4CC3)F)CC	1374
+O=S(=O)(Nc1c2ccc(nc2ccc1)Cl)c3ccc(cc3)F	69
+N(Cc1cnccc1)c2cccc3ccc(Cl)nc23	9756
+O=S(=O)(c1cccc(C=CC(OC)=O)c1)Nc2c3c(ccc2)cccc3	69
+N(c1c2cccnc2ccc1)=C=S	1034
+n1[nH]c(nn1)-c2ccccc2Sc3ccccc3N	424
+CCOC(=O)c1c(C)n2c(c(N)ccc2)n1	9757
+c1cc(ccc1-c2nc3c(nccc3)nc2-c4ccc(cc4)C)C	9758
+C(C)OC(c1nc2c(nccc2)n1-c3ccc(c(F)c3)C#N)=O	9759
+c1ccccc1COC(=O)Nc2cccnc2O	950
+c1(cccnc1OCC(C)F)Nc2c3c(C)c(C(=O)OC)sc3ncn2	4359
+Nc1c(I)cnc(Cl)c1Br	583
+c1cc(ccc1-c2nc3ccnc(c3cc2-c4ccccc4)Cl)C5OCCO5	9760
+c1cc(ccc1F)N2C(=O)N=C(C=C2)N	9761
+c1(cnccc1NC(c2cnc3c(Br)cc(Cl)nn23)=O)F	466
+c1c(c(ccc1OC)CNc2ccncn2)OC	811
+c1cc(ccc1C(F)(F)C(Nc2c(scc2)C(=O)N)=O)F	4872
+C1CC(CCC12OCCO2)Nc3ccsc3C(OC)=O	2554
+c1cc(ccc1S(=O)(=O)Nc2ccsc2C(OC)=O)Br	3074
+c1ccccc1-c2ccc(cc2)C(=O)Nc3c(C(=O)OC)scc3	3453
+c1cc(ccc1)S(=O)(=O)Nc2ccsc2C(OC)=O	3074
+c1ccc2c(c1)C(=O)N(C2=O)C3C4C(C(CO4)Nc5nc(ncc5Cl)Nc6cn(nc6)C)OC3	486
+c1cc(ccc1C#N)-c2c(Cl)nc(N)cn2	356
+O=S(=O)(c1cnc(c(Br)c1)Cl)Nc2cncc(Cl)c2O	9762
+c1(c(F)c(ccc1)Nc2ccncc2NC(c3cccnc3F)=O)F	3052
+c1([nH]nc(NC(=O)C)c1)C	195
+C1(=O)c2ccccc2C(=O)N1c3cc([nH]n3)C	1765
+c1c(F)cc(cc1C2=CC(=O)Nc3cc(nn23)C)F	2950
+c1(c(F)cc(cn1)F)CNc2nc(Nc3n[nH]c(C)c3)c(cc2[N+]([O-])=O)F	4873
+O=S(=O)(c1nc(c(c(Nc2cc(n[nH]2)C)n1)F)Cl)C	349
+c1cc(cc(OC)c1F)C(c2nc(c3ccccc3n2)Nc4n[nH]c(C)c4)=O	349
+c1cc(ccc1F)C(=O)c2nc3sccc3c(n2)Nc4[nH]nc(c4)C	9763
+c1cc(ccc1C(c2nc3c(c(Nc4[nH]nc(C)c4)n2)cccc3)=O)F	349
+c1cc(ccc1F)C(Nc2c(cc(F)c(n2)Nc3cc([nH]n3)C)[N+](=O)[O-])C	4873
+FC(F)(c1nc(Nc2[nH]nc(c2)C)c3c(ccs3)n1)c4ccc(cc4)F	9764
+O=S(=O)(N1C2Cc3c(cnc4cc(nn34)C)C1CCC2)c5ccc(cc5)Cl	9765
+Cc1cc(Nc2cc(nc(SC)n2)Cl)n[nH]1	349
+n1c(ccnc1Cl)Nc2cc(C)[nH]n2	349
+n1c(c2cccnc2nc1Cl)Nc3cc(C)[nH]n3	9766
+c12cc(cc(OCCCl)c1c(Nc3cc([nH]n3)CC(=O)O)ncn2)OC	349
+c1c2c(ccc1OCCCCl)c(Nc3cc([nH]n3)CC(=O)O)ncn2	349
+[nH]1nc(cc1)NC(=O)C	195
+C1C(=Nc2ccnn2C1=O)C(=O)OC	9767
+n1(-c2c(Cl)nccc2)nc(cc1)N	9768
+c1(F)cccc(F)c1C(=O)Nc2[nH]ncc2	330
+c12c(cccc1)nc(Nc3[nH]ncc3)n2-c4nc(nc(N)n4)C	9769
+c1cc(ccc1)COC(N2CCC=3C(CC2)C(=O)n4c(ccn4)N=3)=O	1085
+c1ccccc1-c2c(nc(s2)N)-c3ccnc(n3)SC	2713
+c1c(cc(nc1C(=O)Nc2scc(C)n2)C)Br	9770
+C(ON=C(c1n(C)nnn1)c2cccc(SC)c2)c3nc(N)sc3	4874
+c1cc(ccc1)C(=NOCc2nc(sc2)N)c3cncn3C	4874
+Clc1cc(c(c(Cl)c1)Cl)-c2c(N)nc(Cl)cn2	356
+c1cc(ccc1OC(=O)C)C(Nc2scc(n2)SC)=O	548
+c1ccccc1CNc2nccc(c2)-c3c(-c4cc(C)ccc4)nc(N)s3	182
+c1(c(cc2NC(Nc2n1)=O)-c3c(cncc3)Cl)-c4c(cccc4)F	3100
+n1c(N)c(c(nc1-n2nc(Sc3ccccc3F)c4c2cccc4)N)NC(C)=O	1616
+n1c(N)c(c(nc1-n2c3ccccc3c(Sc4ccccc4F)n2)N)[N+]([O-])=O	4803
+Nc1nc(nc(N)c1N)-n2nc(c3ccccc23)Oc4ccccc4F	193
+c1cc(ccc1C(Nc2sc3CCCCc3n2)=O)Br	548
+n1c(O)c([N+](=O)[O-])c(N2CCc3c(CC2)sc(N)n3)nc1C	3698
+c1cc(ccc1)COc2cccc(C=CCN3CCc4sc(nc4CC3)N)c2	2613
+O(Cc1ncccc1)c2cc(C=CCN3CCc4c(CC3)nc(N)s4)ccc2	20
+c1cc(ccc1C(C(=O)Nc2sc3nc(OC)ccc3n2)CC4CCCC4)S(=O)(=O)CC(C)=O	373
+Clc1ccc(c(Cl)c1)-c2cnc(cc2C#N)N	89
+c1(ncc(Br)c(Cl)c1Cl)N	395
+Nc1ncc(Br)c(Cl)c1[N+](=O)[O-]	1026
+c1c(cc(c(N)n1)C#Cc2ccncc2C)Br	2281
+c1cc(ccc1-c2[nH]c3c(ncc(c3)Br)n2)-c4cnco4	2671
+C1C(CC1)c2c(OC)c(c(cc2)-c3cnc(N)c(C#N)n3)F	356
+c1c(N)cc(-c2nc(c(nc2)N)C(NC)=O)cc1	356
+c1c(Br)nc(c(n1)N)C(Nc2cccnc2)=O	1285
+c1cc(ccc1)NC(c2nc(cnc2N)Br)=O	466
+n1cc(Br)nc(-c2[nH]c3c(cccc3)n2)c1N	9771
+Nc1ncc(Br)nc1C(=O)O	1
+c1cc(ccc1-c2nc(c(N)nc2)C(=O)OC)S(=O)(=O)C	356
+c1cc(ccc1-c2cnc(N)c(n2)C(=O)OC)C(=O)N(C)C	356
+c1cc(ccc1)NC(n2c3ccc(cc3cc2)Nc4cc(ncc4C#N)N)=O	179
+c1(cccs1)COc2c(C#N)cnc(N)c2	2009
+Nc1ncc(CCC(=O)O)nc1Br	4
+Clc1ccc(c(-c2cc(cnc2N)Cl)c1)OC	796
+c1c2C(=O)N(C(=O)c2ccc1)c3cc(C)c(C)cn3	1765
+c1(c(ncc(c1)C(=O)OC)N)C#Cc2cccc(NC(c3occc3C)=O)c2	2281
+Nc1c(ncc(c1)C(=O)N)N	13
+Nc1c(ncc(c1)C(=O)OC)N	13
+CCOC(=O)c1cn2c(cc(Br)cc2)n1	1959
+Nc1ncc(Cl)c(Br)c1	395
+Nc1ncc(I)c(Br)c1	583
+c1cc(ccc1-c2cn3c(cc(cc3)Br)n2)OC	440
+N=C(c1ccnc(N)c1)NO	181
+OC(c1ccnc(N)c1)C	74
+c1ccccc1-c2ccnc3c2nc(-c4ccnc(c4)N)[nH]3	2245
+c1c(F)c(-c2cn3ccc(C)cc3n2)ccc1OCCCCl	440
+c1c(cc2c(OC(=CC2=O)c3cn4ccc(C)cc4n3)c1)Br	9772
+c1cc(ccc1-c2cn3c(cc(C)cc3)n2)Br	440
+Nc1ncc(I)c(Cl)c1	583
+Clc1cc(ncc1)Nc2ncc(-c3cncc(C(=O)O)c3)s2	1178
+c1cc([N+]([O-])=O)cc(F)c1Oc2ccnc(N)c2	242
+c1cc(ccc1N)Oc2cc(ncc2)N	242
+c1cc(ccc1[N+]([O-])=O)Oc2cc(ncc2)N	242
+Clc1cc(ncc1)Nc2ncc(-c3cncc(c3)Br)s2	1178
+Nc1ncc(I)c(F)c1	583
+c1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)cc(N)n1	46
+C1CCCCCC=2C(=O)N3C=CC(C(=O)OC)=CC3=NC1=2	9773
+Nc1nccc(c1)C(Oc2ccc(c3c2cccc3)N)C	0
+c1(C(=O)O)cncc(-c2cnc(Nc3c(Cl)cccn3)s2)c1	1178
+c1cc(ccc1-c2nc3c(cccn3c2)Cl)F	440
+c1cc(cc(F)c1C#N)Nc2c([N+]([O-])=O)cccn2	781
+O=S(=O)(Nc1nccs1)c2c(cc(cc2)Br)F	1140
+c1cc(ccc1Br)S(=O)(=O)Nc2sccn2	1140
+c1(F)cccc(F)c1N2C(=O)C=Cc3c(-c4c(C)ccc(C(=O)Nc5sccn5)c4)nc(nc23)SC	900
+n1c(cn2c1scc2)-c3ccc(cc3F)F	2952
+c1cc(ccc1)C(c2cc3[nH]nc(-c4ccccc4)c3cc2)C(C)(C)C(=O)Nc5sccn5	373
+c1ccccc1COc2ccc(cc2)C(C(=O)Nc3sccn3)CC4CCCC4	373
+c1cc(ccc1Oc2cc(cc(C(Nc3sccn3)=O)c2)OC4C(=O)N(C)CC4)-c5oc(C)nn5	900
+c1cc(ccc1)C2(CC(C2)C)c3cc(ccc3-c4nc5n(ccs5)c4)OCc6ccc7cc(ccc7n6)F	2952
+c1ccccc1COc2c(C#N)cc3c(Oc4cc(c(cc4)NC(=O)Nc5sccn5)F)ccnc3c2	9774
+c1cc(ccc1)OC(=O)Nc2nccs2	810
+Nc1ncn(CCCN)c1	51
+c1c(OC)c(c(cc1Cc2sc3c(cccc3)c2S(=O)(=O)Nc4c(Br)c(no4)C)OC)OC	4875
+O=S(=O)(c1c2c(nccc2)sc1)Nc3c(Cl)c(no3)C	4875
+c1n2nc(Br)sc2nc1	9775
+c1ccccc1COc2c3c(cc(Cl)c2)oc(-c4cn5nc(Br)sc5n4)c3	2865
+c1(C=O)nc(N)sc1C(=O)OC	1348
+c1ccccc1COc2c3c(cc(OC)c2)oc(c3)-c4nc5n(c4)nc(C(F)C)s5	2865
+c1cc(ccc1CNC(=O)c2sc(nc2C)N)Cl	454
+c1ccccc1CNC(=O)c2sc(nc2C)N	454
+C(C)OC(c1cn2nc(sc2n1)CC)=O	9776
+c1cc(ccc1)OC(Nc2nnc(CC)s2)=O	810
+c1cc(ccc1CCCCCCCCCCCC)S(=O)(=O)Nc2sc(CCCCCBr)nn2	1140
+c1ccccc1CS(=O)(=O)NC2=CC=C(N(CC(=O)NCC3CCc4c(C3)sc(N)n4)C2=O)C	9
+c12ccc(F)c(c1scn2)Br	3101
+c1cc(ccc1OC(=O)Nc2nc3c(cccc3)s2)[N+](=O)[O-]	810
+Nc1c(cc(C(=O)O)cc1)S	9777
+c1c(ccc2nc(N)sc12)O	5
+c1c2c(ccc1OC)ncs2	3101
+c1cc(ccc1)OC(=O)Nc2nc3c(cc(cc3)SC#N)s2	810
+s1c(C(Nc2nc3c(cccc3OC)s2)=O)ccc1C	9778
+c1(C)cc(C(=O)O)cnc1N2CCCC2COC	4876
+c1(cccc(C(=O)O)c1)NCCC(=O)O	459
+c12c(C)csc1ncnc2C(=O)O	876
+c1cc(ccc1C2CCC(CC2)CCCC=C)-c3ccc(cc3)C(O)=O	872
+c1cc(ccc1Br)-c2oc(C)c(n2)CC(O)=O	459
+c1cc(ccc1Cn2ncc(c2)C)C(c3cc(C(O)=O)cnc3)=O	4876
+c1cc(ccc1C(=O)O)CCCC=C	872
+c1cc(ccc1CN2N=CC(=C(C(O)=O)C2=O)C)OC	9779
+c1cc(ccc1COc2c(c(O)c(cc2)C(C)=O)CCC)C(O)c3cccc(C(O)=O)c3	872
+c1cc(ccc1CCc2ccc(cc2C(O)=O)F)F	872
+c1cc(ccc1F)Cc2nc(ccc2C3CC3)C(=O)O	876
+CC(C)(C(=O)O)c1ccc(cc1)OC	459
+c1cc(ccc1Oc2ccc(C)cc2CC(=O)O)C	459
+c1cc(ccc1)-c2ccc(c(C(O)=O)n2)C	876
+c1ccccc1C(c2ccccc2)N3CC(C3)C(O)=O	459
+c1nc(ncc1)-c2ccc(C)nc2C(O)=O	876
+O(c1c(ccc(C(=O)O)c1[N+](=O)[O-])OC)C	500
+O(c1c(O)cc(CC)c(C)n1)C	4871
+c1(C)cc(ccc1F)C(CC(CC=C)C(=O)O)O	1392
+C1CC(CCC12OCCO2)(c3cccnc3)C(=O)N	645
+c1(Br)cc-2c(cc1)C(C(c3ccc(cc-23)Cl)=O)=O	9780
+n1(CC)cc(c2ccc(cc12)C(=O)OC)C(=O)O	1725
+c12c(cnc(c1cccc2C)OC)C(=O)O	1725
+O=S(=O)(CC)c1ccc(cc1F)C(O)=O	500
+c1cc(ccc1CS(=O)(=O)NC)O	477
+O=S(=O)(c1c(Cl)ccc(c1O)[N+](=O)[O-])NC2CC2	1683
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1O)Cl)NCC	1683
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1O)Cl)N(C)C	1683
+O=S(=O)(C)c1cc(C(O)=O)cc(O)c1	477
+c1cc(ccc1S(=O)(=O)Nc2cccc(C3OC3)c2)-c4ccc(F)cc4F	3594
+O=S(=O)(c1cc2C3C(O3)Cc2cc1)C	9781
+O=S1(=O)CCCN1CC23CC4C(CC(C4)C2)(C(=O)O)C3	9782
+O=S1(=O)c2c(C(C)(C)CC1)c(c(cc2C)C(=O)O)Cl	2199
+O=S1(=O)c2c(C)cc(c(c2C(C(C)(C)C1)=O)C)C(=O)O	2199
+c1c(Cl)c(c(cc1C(=O)O)Cl)Oc2ccc(cc2)[N+]([O-])=O	820
+c1cc(c(F)cc1I)C(=O)O	820
+c1c(Br)c(cc(OC)c1F)C(=O)O	820
+c1cc(ccc1-c2cnccc2)C(O)=O	820
+c1cc(ccc1)-c2ccc(Br)cc2C(O)=O	820
+c1c(nc(c(F)c1)Br)C(=O)O	9783
+c1c(c([N+]([O-])=O)cc2C(CCc12)=O)NC(C)=O	1720
+c1c(NC=2C=3C(=O)N(CC(CO)O)N=C(C=3N(C(=O)C=2Cl)C)c4cccc(NC(C)=O)c4)c(F)cc(I)c1	3248
+c1c2c(CCc3ccccc3C2CC(CO)O)sc1	4877
+c1cc(ccc1CC(O)CO)Br	4877
+OB(O)CCCCn1cnc2c1nc(N)nc2O	9784
+c1(cccc(Cl)c1C(Cc2ccc(Cl)cc2Cl)C(O)=O)Cl	4431
+c1(c(cc(c(n1)-c2occc2)-c3ccncn3)C(=O)O)N	4878
+c1cc(ccc1-c2c(nc(O)c(c2)C(=O)O)-c3ccc(cc3)OC)OC	4878
+c1cc(ccc1OCCCCCCCCCC)-c2ccc(cc2)C(O)=O	4879
+c1ccc(cc1OC)CC2CCCCC2C(=O)O	1588
+c1ccccc1COc2cc(cc3nc(C)n(CCOC)c23)C(=O)O	4879
+S(C)c1ccc(O)cc1Cl	477
+[N+]([O-])(c1cc([N+](=O)[O-])c(F)cc1O)=O	1772
+c1(C(=O)O)cc(cc(N2CCCC2=O)c1)O	477
+c1(CCCC)[nH]c(c(Cl)n1)C(=O)O	9785
+c1(c(OC)c2ccccc2c(c1)OC)CCCC=O	3293
+c1(c(F)c(F)c(C=O)cc1)Oc2ncc(cc2)C(=O)N	4089
+C(O)c1c(F)ccc(Br)c1F	1555
+c1(F)c2c(c(c(C(=O)O)c1)OC)cccc2	500
+Clc1cc(c(cc1C(=O)O)[N+]([O-])=O)O	1772
+c1(OC)cc(ccc1[N+]([O-])=O)O	1772
+Ic1c(F)cnc(O)c1	2273
+c1(ccc(F)c(CC)c1Cl)C(=O)O	2199
+Nc1c(cc(cc1C)Br)C(=O)O	3562
+c12CCC(CC(OC)=O)c1ccc(c2C)C(=O)O	500
+C1Cc2c(c(ccc2)NC(C)=O)C1=O	1720
+c12cc(cc(C)c1ncc(Cl)c2)O	477
+c12c(cccc1)C(=O)N(C2=O)CCCCS(c3cc([N+](=O)[O-])cc(NC(N4CCCC4)=O)c3)=O	4880
+c1c(cc2c(c3C(CCCc3[nH]2)=O)c1)Br	9786
+c12c3c(ccc1cccn2)c(cc(n3)C=O)OCC	2282
+c12c3c(ccc1cccn2)c(OCCOC)cc(n3)C=O	2282
+o1c2c(cc(cc2)-c3noc(-c4ccc(c(OCC)c4)OCC)n3)cc1C(O)=O	9787
+c12ccc(cc1n[nH]c2)O	3472
+c1cc(cc(c1OC)C(=O)c2c(c(-c3cnccc3C)ccn2)F)F	9788
+c1c(Cl)c(c(cc1)Cl)C(=O)c2cc3c(cc2O)C(C(N)=O)=C3	9789
+c1(cc(cc(F)c1C(=O)O)C)F	500
+COc1c(c(cc(c1)F)O)[N+]([O-])=O	1772
+c1(cc(cc([N+](=O)[O-])c1)CCO)[N+](=O)[O-]	4881
+c1c(c(Br)nc(c1)C=O)OC	2282
+c1c(cc(Br)cn1)NC(C(=O)N)c2c(cccc2)Cl	645
+c12C(=O)C(Nc1c(cc(c2)Br)CC)=O	9790
+c1c(cc(cc1Br)O)C(=O)C	4882
+c1c(C(=O)O)cc(cc1Br)O	4882
+C(=O)c1c(cccc1)-c2cscc2	1483
+n1c2c(cc(c(C)c2)O)ccc1	2608
+c1c2c(c(nc(n2)Cl)O)ccc1OC	1173
+O=Cc1ccc(c2c1cccc2)CBr	1295
+c1c(I)cc([N+]([O-])=O)c(c1)C=O	1483
+Oc1c(cccc1)CC(c2sccc2C)N(C=O)C	477
+O=C(O)c1c(Sc2ccccc2O)cc([N+]([O-])=O)cc1	477
+Clc1cnc(cc1)COC2=CC(=O)[NH+]([O-])C=C2	9791
+Clc1cnc(cc1)COC=2CC(=O)[N+](=CC=2)[O-]	9792
+c1cc(ccc1)-c2ncc(cc2C=3C=CC(=O)N(C(C)C)N=3)C(=O)O	9793
+c1cc(ccc1)-c2c(CS(=O)C)c(c3c(cccc3)n2)C(NC(CC)c4ccccc4)=O	9794
+c1cc(ccc1)-c2cc(F)c(cc2)C(=O)O	500
+c1ccccc1-c2cccc(N)c2C(=O)N	1079
+c1cc(ccc1)-c2onc3c(CC(N)=O)cccc23	645
+c1ccccc1CC(O)C(=O)O	2631
+[N-]=[N+]=NC(CCCCOCc1cc(C)c(F)cc1)C(=O)O	9795
+c1cc(ccc1NC2(CCN(CC2)Cc3ccccc3)C(=O)N)F	645
+C1CN(CCC1(CO)O)Cc2ccccc2	9796
+c1cc(ccc1)COc2c(c(cc(O)c2)OC)[N+]([O-])=O	1772
+c1cc(ccc1C(O)=O)Oc2cc(cc(c2)OCc3ccccc3)C(OC)=O	500
+CC(C)c1n(Cc2ccccc2)c3cc(OC)ccc3c1C(=O)O	1725
+CC(C)c1n(Cc2ccccc2)c3c(ccc(C(OCC)=O)c3)c1C(=O)O	1725
+c1cc(ccc1-c2nc(N)c(C(=O)O)nc2C=3C=CC(=O)N(C(C)C)C=3)OC	4344
+c1cc(ccc1-c2oc3c(n2)c(C=O)ccc3)Cl	9797
+c1cc(ccc1-n2nccc2)Cc3c(C)c(C)c(C=O)c(C(OC)=O)c3	9798
+c1cc(ccc1C)C(Nc2cncc(Br)c2)C(N)=O	645
+c1cc(ccc1Br)C(C)(C(O)=O)N	4703
+c1cc(ccc1O)C2C(C(OCC)=O)N(C(=O)C2)C	477
+c1cc(ccc1C2=NCc3onc(C)c3-c4ccnc(O)c24)Cl	2273
+c1cc(ccc1CC(C(OC)=O)=C(C(=O)OC)C(C)C)C(=O)O	500
+c1cc(ccc1C=O)CC(O)=O	1483
+c1cc(ccc1CC(C(OCC)=O)OCC)CCO	4881
+c1cc(ccc1Cc2c(nn3c2nc(cc3C)C)CC)O	2608
+O=S(=O)(C)N(c1cc2nn(-c3ccc(cc3)Cl)c(C(=O)NC)c2cc1C4CC4)CCCC5CO5	9799
+c1cc(ccc1N2C(C(=Nc3c2cccc3)C(=O)N)=O)Cl	9800
+c1cc(ccc1F)C(=O)C2CCN(CC2)CCCCN3C(c4ccc(cc4NC3=O)[N+]([O-])=O)=O	9801
+c1cc(ccc1-n2nncn2)O	477
+c1cc(ccn1)C(c2c(ccc(Cl)c2)N)=O	9802
+c1cc(ccc1C#N)N2CC(C(=O)O)OC2=O	4670
+c1cc(ccc1OC(=O)C=CC)C(=O)O	500
+O=C(OCC)Cc1c2nc(ccc2ccc1Cl)C=O	2282
+c1cc(ccc1)-c2sc(C(=O)N)c(c2)N	9803
+c1ccccc1C(c2ccccc2)(C3CCNC3)C(=O)N	645
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)SCC(CC(CCCCCCC)C(O)=O)O	1392
+c1ccccc1C=2CCN(CC=2)CCCCc3c4c(ccc(C(N)=O)c4)[nH]c3	1079
+c1ccccc1C=2CCN(CC=2)CCCCc3c4c(ccc(C(=O)O)c4)[nH]c3	9804
+c1cc(ccc1)COC(c2[nH]c(C(=O)O)cc2)=O	9805
+c1ccccc1COc2ccc(cc2)C(N)=O	1079
+c1ccccc1COc2ccc(cc2F)-n3c4cc(F)cc(O)c4cn3	9806
+c1ccccc1COc2c3c(ccc2)c(O)cc(n3)C	4347
+c1cc(ccc1)S(C(c2c(ccc3c2cccc3)OC)CNC=O)=O	4880
+c1c2c(nc(nc2n(c1)C)Cl)O	4585
+c1c2c(nc(nc2cnc1)Cl)O	1173
+c12n(CC(=O)O)cnc1ccc(c2Cl)F	3402
+n1c(cn2c(cnc2c1SC)Br)C(=O)N	2782
+c1(c(Cl)nc(C)nc1O)C	1173
+n1c2c(c(O)nc1CCCC)cc(cc2)CO	1555
+n1ccc2c(nc(Cl)nc2c1-c3cc([N+]([O-])=O)ccc3)O	1173
+c1nc(ncc1)-c2cnc(cc2)O	2273
+c1(c(N)c(C)cc(-n2ncnc2)c1)C=O	1295
+n1sc2c(c1-c3cc(CO)ccc3)ncnc2O	1555
+C(c1sc(cc1)CCCCCC)(=O)O	3451
+COC(=O)C(C(OC)=O)c1ccc(cc1[N+]([O-])=O)-c2ccc(cc2)OC	11
+c1cc(ccc1)OC(=O)Nc2cc(c(C(CO)CO)cc2)F	9807
+O(C)C(=O)C(C(OC)=O)c1ccc(N)cc1F	0
+O(C(=O)C(C(OCC)=O)(Cc1ccc(cc1)N)C)CC	0
+c1cc(ccc1Br)CC(C)C(=O)OCC	2283
+C(OC(CCC(c1cccc2OCOc12)CCCCC)=O)C	4883
+C(O)C(CO)Cc1cccc(Cc2nc(oc2C)-c3ccc(cc3)C)c1	1257
+C(Cc1cc(ccc1[N+]([O-])=O)F)(OCC)=O	976
+c1cc(ccc1)COc2cc(CC(=O)OCC)cc(F)c2	976
+C(Cc1cc(C)ccc1[N+]([O-])=O)(OCC)=O	976
+c1cc(ccc1CCC(C(=O)OCC=C)CCC2(CC2)CC(OCC)=O)C(=O)OC	9808
+c1cc(ccc1)COc2c(c3c(cccc3)cc2)C(C(=O)OCC)O	22
+c1cc(ccc1Br)C(COC(C)=O)CO	9809
+c1cc(ccc1Cc2cc(Br)ccc2Cl)COC=C	9810
+C1=CC=C(C)N2C(C(Br)=C(N=C12)CO)=O	2502
+c1c2cccnc2c(CO)cc1	59
+C(=O)(OCC)c1nc(C#N)c2c(c(cn2Cc3ccc(F)c(F)c3)Cl)c1OC(=O)C	573
+c1cc(ccc1F)CNC2C(CCCC2)C(OC)=O	42
+c1cc(ccc1Cl)S(=O)(=O)NC2CCCCCC2C(OC)=O	71
+C1(C(CN(CCSc2c(ccc(F)c2)F)CC1)C(=O)O)CCC(=O)c3c4c(ccc(OC)c4)ncc3F	4
+c1(nc2c([nH]1)cccc2)CC(=O)OCC	9811
+C(CCCCC(O)C)(OC)=O	100
+C(O)CCCCC(=O)N(CCCCCCC)CC	95
+c1cccc(-c2cnc(CCCCC(OC)=O)o2)c1OC	4657
+c1cccc(-c2noc(CCCCC(OC)=O)n2)c1OC	2383
+C(CCCC(=O)O)CCC1C(CCC1OC2CCCCO2)C=O	4
+O(C(=O)CCCCCCCNC(=O)c1c(C)[nH]c(C=NN=C2c3c(ccc(F)c3)NC2=O)c1C)C	56
+c1cc(ccc1CN2c3c(N(C2=O)CCCCCCCC(=O)OC)cccc3)Cl	9812
+O=C(NCCCCCCCC(=O)O)c1c(C)[nH]c(C=NN=C2c3c(ccc(F)c3)NC2=O)c1C	4
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(NCCCCCCC(OC)=O)=O	14
+C(CCCC)C(CCC1CCCC(=O)N1CCCCCCC(OC)=O)O	460
+C1(N(C(=O)CCC1)CCCCCCC(OC)=O)C=CC(=O)CCCCC	1278
+N1(CCCC(=O)O)c2ccccc2C(NC1=O)=O	3
+c1cc(c(-c2coc(n2)CCCC(OC)=O)cc1)N	0
+c1cc(ccc1Cn2nc(c(CCC(OCC)=O)c2)OCC)OCc3csc(-c4ccccc4)n3	1944
+O(C)CCCc1cncn1Cc2ccccc2Br	21
+c12cnc(NC)cc1nc(C)c(-c3cc(NC(OC(C)=C)=O)c(F)cc3F)c2	2922
+c1cc(ccc1OC)N(C)c2nc(CNC(=O)OC(C)Cl)nc3c2cccc3	101
+c1cc(cc(Cl)c1)C2(c3cc(Cl)ccc3)C4C(C(=O)CC2)CN(C4)C(=O)OC=C	9813
+O=S(=O)(C)OC1CN(C(OCC=C)=O)C(COCCO)C1	66
+c1[nH]c2c(cc(cc2)NC(OCC=C)=O)c1CCNC(C)=O	90
+c1cc(ccc1OC)CSc2nc(C3=CCN(C(C3)CO)C(=O)OCC=C)cs2	9814
+Clc1ccc2oc(nc2c1)NCC3N(C(OCC=C)=O)CCCC3C	1527
+O=C(c1cc(-c2ccccn2)c(cc1Cl)Cl)O	1
+n1c([nH]c2ccccc12)C(O)=O	1
+c1([N+]([O-])=O)cccc(C(O)CO)c1	59
+c1ccccc1C(c2ccccc2)C(=O)N(CC)CC=CCOC(C)=O	2046
+c1[nH]c2nc(SC)nc(Cl)c2c1CCO	59
+c1cc(ccc1N2C(C)c3c(N(C2=O)c4cccc(C#N)c4)nc(nc3)Nc5cccc(CCOC(C)=O)c5)OC	55
+O(C(C)=O)CCc1cccc(N)c1	0
+O=S(=O)(C)OCCc1csc(CCOC(=O)C)c1	7
+c1([N+]([O-])=O)ccc(NC(C)=O)c(c1)O	173
+c12C(NC(=O)c3cc4c(cn3)cccc4)(C(=O)N(c5c(cccc5)F)c1cc(OC)cc2)CCC(O)=O	4
+O(C(CCCCC(c1sc(cc1)Cl)=O)=O)CC	9815
+C(CCCC(=O)c1c2ccccc2c(cc1)F)C(=O)OCC	214
+c1(nn(cc1)CCCCCCC(OCC)=O)-c2ccccc2O	338
+c1c(c(-c2nn(cc2)CCCCCCC(=O)O)ccc1)OC	3
+O(C(CCCCCNc1c(cnc2ccccc12)N)=O)CC	13
+c1ccc(OCCCC(OCC)=O)c(N)c1	0
+c1c(cc2c(c1)nc(cc2OCCCOc3c(nc(N)nc3N)CC)C)OCCCC(=O)O	3
+c1cccc2c(cccc12)Cn3c(nc4ccccc34)SCCCC(=O)OCC	1947
+c1(cc(cc(I)c1O)C(=O)c2c3ccccc3oc2CCC(OCC)=O)I	3102
+O(C(CCc1nc(ccc1O)CCCCC(=O)OC)=O)C	587
+c1cc(ccc1C=CCCCCOc2c(CCC(OC)=O)nc(CCCCC(OC)=O)cc2)OC	458
+O=S(=O)(C)CCC(Cc1cc(C#N)ccc1)(NC(OC)=O)C(=O)OC	991
+c1c(N)c(cc(OCC)c1OCC)C(OCC)=O	0
+O(C(c1ccc(Cn2c(CCCC)nc(Br)c2C=NO)c(F)c1F)=O)C	2513
+Fc1cc(C(Nc2cc([nH]n2)C(O)=O)=O)c(C)cc1F	6
+Fc1c(cc(c(c1)C(Nc2cc([nH]n2)C(O)=O)=O)Cl)F	6
+OB(O)c1c(SC)cc(cc1)F	422
+OB(O)c1c(F)cc(OC)c(OCC)c1	2284
+OB(O)c1c(CC)cc(cc1CC)-c2ccc(cc2)Cl	422
+OB(O)c1cc(F)cc(F)c1SC	422
+OB(O)c1cc(Br)ccc1C	2284
+O(C)B(OC)c1ccc(c(c1)OC)F	2159
+OB(O)c1cc(CC)c(cc1)OC	422
+c1cc(ccc1)-c2cc(ccc2B(O)O)OC	422
+c1cc(ccc1)COCC(c2ccc(B(O)O)cc2C)CF	422
+OB(O)c1c(OC)cc(cc1OCc2ccccc2)-c3oc(cn3)C	422
+c1cc(ccc1)Cc2cc(ccc2OC)B(O)O	422
+c1ccccc1C#Cc2ccc(cc2)B(OC)OC	2159
+O(C)B(OC)c1ccc(cc1)SC	2159
+OB(O)c1ccc(-c2ccc(cc2)CCCCCCCCC)nc1F	9816
+OB(O)c1ccc(cc1)CCCCCCCCC	422
+c1cc(ccc1-c2ccc(c(B(OC)OC)c2)Br)Cl	4369
+c1cc(ccc1F)-c2cc3c(OCO3)cc2B(O)O	422
+c1cc(ccc1CCCCCCCC)B(O)O	2284
+OB(O)c1ccc(cc1)OCC2CC2	2284
+COB(OC)c1ccc(OCCCCCC)nc1	9817
+c1ccccc1-c2ccc3n-4c5c(cc(cc5c3c2)-c6ccccc6)C(C)(C)c7cc(ccc-47)B(O)O	422
+c1ccccc1COc2c(cc(O)cc2CC)C	9818
+c1cc(ccc1)COc2cc(B(O)O)ccc2OCc3ccccc3	422
+OB(O)c1cc(c(F)cc1)Oc2ccccc2	422
+CC(C)c1c(cc(OC)c(B(OC)O)c1)F	493
+COB(O)c1cc(c(F)cc1)OC	493
+c1cc(ccc1SC)B(OC)O	493
+CC(C)(CC(=O)OC)c1ccc(o1)C	9819
+c1cc(ccc1)COc2cc(CC(OC)=O)cc(c2)Cl	1540
+O(C(=O)C(C(OC)=O)c1ccc(NC(=O)Oc2ccccc2)cc1F)C	90
+Clc1cc(CO)cc(c1)C(=O)OC	98
+C1CN(CCN1C(=O)Nc2c(cccc2)C(OC)=O)Cc3ccccc3	326
+O=S(=O)(N(c1ccccc1)C)c2cc(N3C(=O)c4c(cccc4)NC3=O)c(Cl)cc2	9820
+Cc1c(Br)cc2c(nc(o2)C)c1	2794
+c1cc(ccc1)Oc2c3c(c(c(n2)C)C)n(CCCCCCl)c(C)n3	730
+C1(C(c2cc(ccc2N1C(=O)C)C(=O)C)=C(OC)CCCC)=O	9821
+c1cc(ccc1-c2nn3C(NC(CCCC)=Nc3c2)=O)F	9822
+c1ccccc1C(CCCCCn2c3c4ccccc4ncc3nc2CCCC)=O	730
+c1ccccc1OCCn2c(CCCC)nc3cnc4c(cccc4)c23	730
+c1cc(ccc1)-c2nc(cc(Cl)c2)NC(CCC(=O)c3ccc(OCC)c(c3)OCC)=O	9823
+c1c(OC)c2c(c(C(=O)C(C)C(OC)=O)c1)ccc(CC)n2	1985
+c1cc(ccc1)COc2cccc3c2CCC(C(OC)=O)C3=O	1985
+c1cc(ccc1C(CC(=O)OC)=O)F	3963
+c1c2c(ccc(c2cnc1O)F)Br	4551
+O(C)C(OC)C(=O)NCc1c(ccc(Br)c1)F	248
+c1cc(ccc1)CSC(C(OC)OC)CN	157
+O(C)C(OC)C1(Oc2c(c(C)c(c(c2C)C)OCc3ccccc3)CC1)C	22
+O=S(=O)(C)c1cc(F)c2COC(Oc2c1)CBr	4884
+O1C(CBr)Oc2cc(cc(c2C1)F)Br	4884
+COC(OC)Cn1ncc2cc(ccc12)Oc3c(cc(cc3)F)C#N	1090
+COC(OC)COc1ccc(cc1)-c2nc3c(cc(C4=NNC(=O)CC4CC)cc3)o2	8
+c1cc(ccc1F)OCC(OC)OC	8
+COC(OC)Cn1ncc(c1)[N+](=O)[O-]	338
+n1c(C)ccc(c1F)C2=CN(C(NC2=O)=O)CCC=O	571
+n1n(cc([N+]([O-])=O)c1)CCC=O	571
+O(C)C(OC)CCn1nc2cc(ccc2c1)N	0
+c1cc(ccc1Oc2ccccc2)NC(=O)Nc3ccc4cn(nc4c3)CCC(OC)OC	124
+CC=CCN(CC=O)C(OCC)=O	571
+c1(sc(nn1)N2C(OC)CN(C2=O)C)C(C)Oc3cc(c(Cl)cc3)Cl	9824
+O(C)C(OC)CN(C1CCCCC1)C(CCOCCc2cc(ccc2)C=O)=O	1937
+O(C)C(OC)CN1C(C(NCc2cc(ccc2)Cl)=O)=C(C(=O)C(N)=C1)OCc3ccccc3	9825
+O(C)C(OC)CN1C(=C(OCc2ccccc2)C(=O)C(C(O)=O)=C1)C(NCc3cc(ccc3)Cl)=O	127
+c1ccccc1COC(NC2c3n(-c4c(cccc4)CC2)ccn3)=O	9826
+O(C)C(OC)CN(C(Nc1nnc(s1)C(Oc2cc(Cl)c(cc2)Cl)C)=O)C	1110
+CC(C)CC(C(=O)NCC=O)CS	571
+O(C)C(OC)CNC(=O)C(CC(C)C)CS	1113
+c1c2c(C)ccc(F)c2oc1	9827
+c1cc(N2N=C(C(=O)OC)C(=O)C(=C2)OC)c(F)cc1I	1181
+c1(c(Br)cccc1N2N=C(C(=O)OC)C(=O)C(=C2)OC)F	1181
+CN(C)C=C1C(=O)CCCC1=O	2509
+O=S(=O)(c1n(C)nc2cccc(O)c12)N=CN(C)C	9828
+CN(C)C=CC(=O)c1scc(Br)c1	277
+CN(C)C=CC(=O)c1c(cc(c(c1)Br)C)NC(C)=O	277
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	3964
+Clc1cc(cc(Cl)c1)C(C=CN(C)C)=O	277
+CN(C)C=NC(=O)c1cccc(Br)c1	2098
+CN(C)C=CC(c1cccnc1)=O	277
+CN(C)C=Nc1c(ccc(n1)C)C#N	9829
+CN(C)C=CC(=O)c1cccc([N+]([O-])=O)c1	277
+CN(C)C=CC(c1ccc(Cl)c(c1)CNC(C)=O)=O	277
+CN(C)C=C(C(OCC)=O)C(=O)c1c(cccc1)Cl	9830
+CN(C)C=CC(=O)c1cc(C)ccc1	277
+CN(C)C=CC(c1ccc(cc1[N+](=O)[O-])Br)=O	277
+c1cc(ccc1)C2=NN(C(C2=CN(C)C)=O)c3nc4ccc(cc4s3)Cl	2163
+c1cc(ccc1Br)C(=O)C=CN(C)C	277
+c1cc(ccc1OC)C(=O)C=CN(C)C	277
+CN(C)C=CC(=O)c1ccc(cc1)C(=O)NCc2cc(ccc2)OC	277
+c1cc(ccc1-c2nc3ccc(cn3c2)I)C(C=CN(C)C)=O	277
+CN(C)C=CC(=O)c1ccc(cc1)C(OC)=O	277
+c1cc(ccc1C(=CN(C)C)C(c2c(cc(cc2)Cl)Cl)=O)C	1773
+c1cc(ccc1C)S(=O)(=O)N(CC)c2cccc(C(=O)C=CN(C)C)c2	277
+c1cc(ccc1C(=CN(C)C)C(c2c(cc(cc2)Cl)Cl)=O)F	1773
+c1cc(ccc1C(=CN(C)C)C(c2c(Cl)cc(Cl)cc2)=O)Cl	1773
+CN(C)C=C(c1ccc(cc1)Cl)C(=O)c2c(Cl)cccc2	1773
+c1cc(ccc1F)-n2ncnc2-c3ccc(cc3)N=CN(C)C	2275
+CN(C)C=C(c1ccncc1)C(=O)c2ccc(cc2)OCc3nc4cccnc4cc3	1773
+CN(C)C=CC(=O)c1ccncc1	277
+CN(C)C=C1C(CCc2c1cccc2)=O	9831
+CN(C)C=C1C(N(c2sc3c(cccc3)n2)N=C1c4ccc(c(Br)c4)C)=O	2163
+CN(C)C=C1C(=O)N(c2sc3c(cccc3)n2)N=C1c4cccc(I)c4	2163
+c1ccccc1-n2ncc3C(N(c4ccc(cc4)Cl)C(c5ccc(cc5)C(C=CN(C)C)=O)=Nc23)=O	277
+c1ccccc1C(O)c2cc(C(=O)C=CN(C)C)ccc2F	277
+c1ccccc1COc2cccc(c2)-c3nc(N4CCOCC4)c(c(C=CN(C)C)n3)[N+]([O-])=O	9832
+c1ccccc1COc2cc(c(N3N=C(C(C(OC)=C3)=O)C(=O)OC)cc2)F	1181
+CN(C)C=CC(=O)c1cncnc1	277
+O=C(O)c1cc2c(c(F)c1Nc3ccccc3F)nco2	2577
+c1nc2c(cc(Cl)c(Cl)c2Cl)[nH]1	9833
+COC(OC)c1ccc(cc1OC)OCCCN=[N+]=[N-]	1416
+C1(c2cccc3cc(-n4cnnn4)cc(C(N1CCCC(=O)O)=O)c23)=O	1441
+c1(CC(=O)OCC)c(cccc1)-n2nnnc2	1441
+n1nncn1-c2cc(-c3ccccc3OC)cc(C(=O)OC)c2	1441
+n1c(c(ccc1)OC)-c2cc(-n3nnnc3)cc(c2)C(=O)OC	1441
+n1c(ccc(-n2nnnc2)c1)F	9834
+O(C)C(OC)c1ccc(c(c1)F)[N+](=O)[O-]	1416
+c1(Cl)c(cccn1)C(=O)OC	4654
+O(C)C(OC)c1c(Br)cnc(Cl)c1	1416
+c1cc(c(cc1CN2C(c3cc([N+]([O-])=O)ccc3N=C2)=O)Cl)Cl	9835
+Clc1c(Br)cc2c(c1)nco2	2577
+c12cc(Cl)c(cc1nc[nH]2)Sc3cc(C)ccc3	9836
+COC(OC)c1cccc(-c2nc(Cl)ncc2)c1	1416
+c12c(C(C(=O)N=C1O)=COC)cc(cc2)Br	9837
+c1cc(ccc1)COc2nc3c(cc2)[nH]cn3	9838
+c1cc(ccc1-c2nocn2)Oc3cc(cc(c3)OC(C)COC)C(=O)Nc4nn(C)cc4	3912
+COC(OC)c1ccc(cc1)C=CC(=O)O	1416
+c1cc(ccc1OCC)-n2cnc3cnc(Nc4cnn(c4)CCn5nccc5)nc23	2853
+c1cnccc1-c2c(-c3ccc(cc3)F)c4n(cnn4)c(NC(C)(C)c5ccccc5)n2	9839
+c1cc(ccc1-c2c(cc3c4n(cnn4)ccc3n2)-c5ccccc5)C6OCCO6	9840
+c1ccccc1C(CCCCCn2c3c(cnc4c3cccc4)nc2)=O	9841
+c1ccccc1CN2CCC(CC2)n3cnc4cccnc34	9842
+c1ccccc1Cn2c3cc(ccc3nc2)Br	9843
+COC(OC)c1c(CN(C(C)=O)CCN(C)C)cc2CCCNc2n1	58
+Clc1cccc(c1)-c2nc(Nc3c(ccc(C=O)c3)[N+]([O-])=O)sc2C(=O)N	1054
+c1cc(ccc1CO)C=O	1054
+O(C)C(OC)c1nc2c(cc1CN3CCN(C)CC3=O)CCCN2C(=O)Nc4ncc(c(c4)OC(C)C)C#N	2792
+CC(C)Oc1c(cnc(NC(=O)N2c3c(CCC2)cc(c(C=O)n3)CN4C(CN(C)CC4)=O)c1)C#N	4552
+O=C(c1cccc(OCc2cc3c(OCO3)cc2)c1C(O)=O)O	1
+c1c2c(c(C(=O)OC)ccc2)ncc1O	9844
+c1(cccc(C(OC)=O)n1)C(=O)O	1
+S1c2c(cccc2)C(N=C1c3nc(SCCCCC)ccc3)=O	2767
+c1cc(ccc1[N+](=O)[O-])-c2csc(-c3c(C)sc(c3)C(=S)OC)n2	9845
+c1cc(ccc1C2COCCC2=O)C#N	9846
+ClC1=NC=C(C(N1C)=O)O	9847
+COC1CCN(c2ccc([N+]([O-])=O)cn2)C1	43
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(C(N5CCC(OC)C5)=O)ccc4c(S(C)=O)c3	30
+C1=CC=C(C(=S)N1CCCC)O	3668
+N1(C=C(Br)C=C(C1=O)O)C	2285
+O(C)C=1C(=S)N(C=CC=1)CCCC	9848
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCNC(C4)CCOC	3935
+C(CCO)c1cncn1Cc2ccccc2Br	88
+c1(C(=O)O)c2c(nc(NC(c3cc(ccc3)C#N)=O)n2CCCOC)ccc1	1
+c12ccn(CCCOC)c1CC(c3c(Cl)cccc3)C4C2C(=O)NC4=O	4885
+O(CCN(CCOC)c1ccc(cc1[N+](=O)[O-])C(O)=O)C	34
+c1cc(ccc1)COC(CN(CCOC)CCOC)=O	303
+O(C)CCOC(=O)Nc1cccc(CO)c1	90
+c1(cc(ccc1)NC(=O)OCCOC)C=O	39
+c1c(N)cc(cc1)OCCOC	0
+C(COc1cccnc1)O	88
+c1c2n(ccn2)ccc1OCCOC	1935
+c1(occ(CO)n1)COC	9849
+c1c(OC)c(I)ccc1C#C	9850
+c1cc(ccc1C(C)(C)C#C)F	1596
+CO[Si](OC)(OC)CCCc1ccc(c(c1)OC)OC(C)=O	9851
+[nH]1c(cc2ccccc12)-c3nc(ccc3O)Cl	390
+c1(c(-c2sc3c(cccc3)n2)ccc([N+]([O-])=O)c1)O	5
+c1(OC)c(scc1C#N)-c2ccc3c(c2)CCCC3	268
+O(C)c1c(C(O)C)cc(Cl)c(C)c1Br	74
+COc1c(Br)c(c(Cl)cc1C(C)N2c3c(c(ncn3)N)C(C=C2)=O)C	9852
+c1(cc(Cl)c(F)c(Br)c1OC)C(C)Nc2c(c(ncn2)N)C#N	40
+O(C)c1c(Cl)cc[n+]([O-])c1C	341
+C(c1c(OC)c(cc(C(=O)OC)c1)OC)CC=O	24
+O(C)c1c(Cl)cc(c(F)c1[N+](=O)[O-])CO	41
+C(OP(OCC)(=O)Cc1cc(c(c([N+](=O)[O-])c1F)OC)Cl)C	590
+c1c(OC)c(cc(c1)C(=O)C)F	94
+c1(O)c(F)ccnc1Br	390
+O(C)c1c(N)c(F)cc(Cl)c1[N+](=O)[O-]	106
+c1cc(NC(CC(Nc2ccccc2OC)=O)=O)cc(c1Oc3ccnc4cc(sc34)-c5ncn(CCC)c5)F	4375
+O(C)c1c(NC(C)=S)cccc1	2718
+COc1cccc2sc(C)nc12	9853
+O(C)c1c(NC(OCC)=O)c(F)cc(c1N)Cl	0
+O=Cc1c(c(c(c([N+]([O-])=O)c1)O)O)Cl	5
+c1(OC)c(c(cc(c1CO)[N+](=O)[O-])OC)OC	41
+c1(c(cc(F)c(F)c1)OC)O	5
+O(c1c(c(ccc1O)OC)OC)C	2286
+c1c(CC=2C(=O)C(OC)=C(C(=O)C=2C)OC)c(c(C(=O)O)cc1)OC(C)=O	1450
+C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC	460
+O=S(=O)(c1cccc2cccnc12)n3cc(-c4ccc(c(c4)OC)OC)c5ccccc35	9854
+c1ccccc1CC(=O)N2N=C(c3ccc(c(OC)c3)OC)CC2	9855
+c1cc(ccc1)COc2c(cc(cc2C)C#Cc3cc(cc(c3C=O)OC)OC)C	455
+COc1cc(cc(OC)c1)C=C(C(OC)=O)c2ccc(cc2)Oc3ccc(cc3)C=O	46
+COc1cc(cc(OC)c1)C2=C(C#N)C(=O)Oc3c2ccc(N)c3	9856
+c1c(OC)cc(cc1C(O)c2cc(OC)ccc2)OC	257
+O(c1cc(cc(OC)c1)C=C(c2ccc(cc2)O)C(=O)O)C	3006
+c1c(OC)cc(cc1CCN)OC	157
+c1c(OC)cc(cc1NC(c2c(cccc2F)F)=S)OC	581
+O(C)c1cc(cc(OC)c1)Nc2nc(Nc3c(cccc3)S(=O)(=O)C)c(cn2)C(=O)O	6
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)Oc3cc(OC)cc(OC)c3	1505
+c1(OC)cc(cc(OC)c1C)C#N	274
+c1c(OC)c(c(cc1-c2c(C(Nc3c(cccc3)-c4sc(cc4)CC(=O)OC)=O)cccc2)OC)OC	50
+C1CN(CCC12OCCO2)Cc3ccnc(-c4cc(OC)c(c(OC)c4)OC)c3	171
+O(c1cc(cc(OC)c1OC)-c2nccc(CN3C(c4c(cccc4)C3=O)=O)c2)C	9857
+c1(OC)cc(cc(OC)c1OC)-c2cc(CO)ncn2	453
+c1cc(ccc1)C(=O)Nc2c(N=Cc3cc(OC)c(c(c3)OC)OC)ccc(N4CCCC4)c2	457
+c1cc(ccc1)C(Nc2cc(ccc2N=Cc3cc(OC)c(c(c3)OC)OC)C)=O	457
+c1(cc(cc(OC)c1OC)C=C(c2ccc(cc2)F)C(O)=O)OC	3006
+COc1cc(cc(OC)c1OC)C(c2cc3c(cccc3)s2)O	2991
+COc1cc(cc(OC)c1OC)C=CC(=O)OC	9858
+c1(OC)cc(cc(OC)c1OC)Nc2ccc(c(NC(C)COC)c2)C#N	230
+O(C)c1cc(cc(OC)c1OC)NC(=O)Cc2cc(NC(=O)c3c(-c4c(cccc4F)F)noc3C)ccc2	2965
+O(C)c1cc(cc(OC)c1OC)Nc2nnc(cn2)C(C)NC(=O)c3cccc(c3)Br	14
+c1c(OC)c(c(cc1Nc2ncc3n(c(nc3C)-c4cccc(Br)c4)n2)OC)OC	9859
+c1(OC)cc(cc(OC)n1)C=CC(OC)=O	9860
+c1ccc(cc1C(c2cccc(c2)OC)=CC3CCNCC3)OC	3039
+O(C)c1cc2CCC(Cc2cc1)c3c(NCC)cc(OC)cc3	15
+O(C)c1cc2N=C(N(C(=O)c2cc1OC)c3ccccc3Cl)CSc4ncnc5[nH]cnc45	3031
+c1(cc(OC)cc(c1C(O)=O)OC)N	4886
+c12cc(OC)cc(c1c(ncn2)Nc3cc(Cl)c(F)cc3)O	5
+O(C)c1cccc(OC)c1-c2cc(nn2CC(C)C)C(=O)O	6
+O(C)c1ccnc(C=O)n1	2287
+n1c2ccc(C#N)cn2c(-c3nc(ccn3)OC)c1	4887
+n1c2ccc(cn2c(-c3nc(ccn3)OC)c1)F	4887
+c1cc(ccc1)Nc2nccc(OC)n2	55
+O(C)c1cnc(c(Cl)n1)CO	1125
+n1c(cnc(Cn2ccnc2-c3cccc(F)n3)c1Cl)OC	2238
+c1(nc(nc(OC)c1)NC(NS(=O)(=O)c2c(C(=O)OC)cccc2)=O)OC	1722
+O(C)c1nc(nc(OC)c1N)NCCC(=O)OCC	193
+n1c(OC)c(c(nc1NCCS(=O)(=O)NC(C)C)OC)N	193
+c1cc(ccc1-c2ncc(OC)c(OC)n2)F	345
+n1c(c(cc(Br)c1)-c2c(N)cnc(OC)c2)F	3103
+Clc1ccc(c(c1)-c2cc(ncc2OCC)OC)C#N	1164
+O(C)c1ncc(c(CO)c1)F	49
+O(C)c1ncc(c(c1)C=O)F	39
+c1(c(cc(nc1)OC)C=CC(OC)=O)F	530
+c1c2c(cnc1O)[nH]c3c2cc(cn3)OC	104
+CCOC(=O)C1C2C1Cc3cc(O)ncc23	104
+c1ccccc1NC(c2ccnc(OC)c2)=O	67
+c1cc(ccc1Cc2c(OC3C(OC(=O)C)C(OC(=O)C)C(OC(C)=O)C(COC(=O)C)O3)cccc2)C(=O)N	9861
+O=S(=O)(N(OC)C)c1c(Cl)ccc(NC2=C(OCC)C(=O)C2=O)c1O	1771
+C=1(C(C(=O)C=1OCC)=O)Nc2ccc(C#N)cc2CC	1771
+c1cc(cc2c(ncnc12)Nc3cccc(c3)Br)NC=4C(C(=O)C=4OCC)=O	1771
+O(c1ccnc(O)c1)C	3045
+c1c(NCCOCCOCC#C)c(ccc1)[N+]([O-])=O	205
+c1(cc(c(OCC#C)c(C)c1)OC)C(=O)O	9862
+C1Cc2c(c(c(c(c2CC(=C)C)O)C)C)N1C=O	1625
+C(C)OCC(Nc1c(nc2c(cccc2)c1NCC#C)Cl)=O	308
+c1cc(ccc1F)-c2cc(CNc3c4c(ncc3NC(=O)COCC)cccn4)on2	308
+c1cc(ccc1F)-c2cc(CNc3c4ccccc4nc(Cl)c3NC(=O)COCC)on2	308
+C(C)OCC(=O)Nc1c(c2c(cccc2)nc1)Cl	308
+c1ccccc1CN(Cc2ccccc2)c3nc(c(C)c4c3nc(COCC)n4CC5(CCCCC5)O)C	546
+c1cc(ccc1)Oc2nc(c(C)c3n(CCOCCCc4sccn4)c(nc23)COCC)C	546
+c12c(ccs1)cc(cc2)CCOCCO	21
+C(OCc1nccs1)COC	21
+n1cccc(Oc2c([N+]([O-])=O)cc(c(NC(C)=O)c2)F)c1OCC(OC)=O	551
+O(C)CCOc1cccnc1	21
+O1c2c(NC(C1)=O)cc(Br)cn2	1530
+Nc1cccnc1OCC(=O)OC	13
+Nc1cccnc1OCC(C)F	13
+n1cc(Cl)nc(NC(C)COC)c1	464
+c1c(cc(c(c1)C#N)NC(C)COC)Br	60
+c1cc(ccc1C)-c2cc(cc(-n3nnnc3C)c2)C(=O)NC(COC)C	14
+O(C(=O)C(C(=O)CCl)=NOCC)CC	969
+O(C(=O)C(C(=O)CCl)=NOCCCCCCCC)CC	969
+c1cc(ccc1-c2ccc(cc2)NC(CCCC)=O)C(=O)CC(C(O)=O)C(=O)OCC	3
+O(CC)C(=O)C(C(OCC)=O)CC(c1ccc(cc1)-c2ccc(cc2)N)=O	0
+C(OC(CCc1c(Br)cccc1Cl)=O)C	4883
+c1(cc(ccc1[N+]([O-])=O)CC(OCC)=O)OC	976
+O(CC)C(=O)C(C)c1nc(Cl)ccc1	174
+O(CC)C(C(Oc1cc2c(cc1)ncc(I)c2)CC)=O	289
+O(CC)C(C(Oc1cc2c(cc1)ncc(c2)Br)CC)=O	289
+c1c(Br)c(ccc1)OC(C(OCC)=O)CCC	289
+O(CC)C(=O)C(CCCCC)c1cccc(N)c1	0
+c1cc(ccc1)C(c2ccccc2)C(N3CCC(CC3)CCn4cnc(C(C(=O)OCC)Cc5ccc(nc5)N)c4)=O	541
+C(Cn1c2nc(nc(Cl)c2nc1)N)C(F)CO	44
+c1(cc(-c2c(C#N)cc(cc2)C)cc(C(=O)OCC)c1)C(=O)O	1
+N1C=2N(c3ccccc13)C(=O)C(=C(C)C=2C#N)CCCCCC	3734
+c1c(F)c(c(cc1)F)COc2nc(C)cn3c(c(nc23)C)C(OCC)=O	9863
+Cc1nc(-c2ccc(C)cc2F)sc1C(=O)OCC	2242
+c1ccccc1COc2c3nc(c(n3cc(Br)c2)C(=O)OCC)C	1316
+n1ccnn1-c2c(cccc2)C(=O)N3CC(c4oc(C(=O)OCC)c(C)n4)CCC3C	9864
+CCC(C)C(C(=O)O)F	3
+Cc1nc(nc(O)c1C)-c2ccc(N)cn2	9865
+CC1CC(N(C1=O)Cc2cc(-c3scc(C)n3)ncc2)c4c(F)cccc4OC	1737
+C1COC(O1)(c2c(c(c(c(Cl)c2)F)I)OC(C)C(=O)OCC)C	3104
+c1cc(ccc1C(C(C(OCC)=O)(Oc2cc3c(cc2)nccc3)C)O)OCc4ccccc4	9866
+CC(C(=O)O)c1cc(C)c(cc1)C#N	3
+c1(c(N)ccc(C(C)C(OCC)=O)c1)C	0
+c1(ccc(C(C)C(OCC)=O)cc1O)[N+]([O-])=O	77
+O(CC)C(C(C)c1cc2c(ccc(N)c2)[nH]1)=O	0
+c1([N+]([O-])=O)ccc2c(cc(C(C)CO)[nH]2)c1	44
+CC(C(=O)O)c1ccc(nc1)C#N	3
+O(CC)C(C(C)c1cc(ccc1)O)=O	241
+c1(cccc([N+]([O-])=O)c1F)CC=2C(Oc3c(ccc(c3)O)C=2C)=O	9867
+O(CC)C(C(N1c2cc(c(C)cc2OCC1=S)Br)C)=O	199
+C(N1C=CC=CC1=O)(C(=O)O)C	3
+O(CC)C(C(N1c2cc([N+]([O-])=O)ccc2SCC1=S)C)=O	199
+c1c2c(ccc1OC(C(=O)O)CC)ncc(I)c2	3
+c1c2c(ccc1OC(C(=O)O)CC)ncc(c2)Br	3
+C(OC(CCC1=CC(=O)N(CCCC)C=C1)=O)C	9868
+c1[nH]c2cnc(cc2c1CCC(OCC)=O)-n3ncnc3	4888
+C(OC)CCOc1cc(CCC(OCC)=O)ccc1O	159
+Nc1c(C=CC(=O)O)cc(c(Cl)c1)OC	108
+C(OC(CCc1cc(c(c(c1)F)F)O)=O)C	159
+C(OC(CCc1ccc2c(c1)CC(CCC2)=O)=O)C	159
+C(OC(CCc1ccc(N)cc1F)=O)C	159
+c1c(OC)ccc(CCC(OCC)=O)c1F	159
+c1cc(ccc1)CN2CC(CC2)Nc3ccc(cn3)C=CC(=O)OCC	70
+C(OC(CCc1ccc(nc1)OC)=O)C	4888
+c1cc(ccc1)C(=O)c2ccc(C(=O)Nc3cccc(c3)C=CC(OCC)=O)o2	768
+O(CC)C(C=Cc1cccc(N)c1)=O	0
+C(OC(CCc1cccn1-c2ccc(C#N)cc2C)=O)C	1253
+O1CCOC1(CCCn2c(C)nc3cnc4c(cccc4)c23)C	1700
+C(c1cc2nc(C)n(c2cc1)CC)(=O)O	3615
+c12c(cc([N+]([O-])=O)cc1O)oc(n2)C	4889
+c12n(c(CCC)nc1c(C)cc(c2)-c3oc(C)nn3)Cc4ccc5c(CCc6c(C5=CC#N)cccc6)c4	2959
+O=C1N(c2ccc(c(c2)Cl)Cl)C(=Nc3c1cccc3)C	9869
+c1ccccc1-c2c3c(ccc(Br)c3)n4c(nnc4c2)C	9870
+c1ccccc1-c2cn3c(nnc3C)cn2	9871
+c1ccccc1COc2c3oc(nc3cc(-c4ncc(cc4)C=C5SC(=O)NC5=O)c2)C	4889
+c1cc(ccc1)Oc2c3nc(C)n(CCOC(C)=O)c3c(C)c(n2)C	1700
+c1cc(ccc1)Oc2c3c(c(C)c(n2)C)n(c(C)n3)CCOCCCc4cnccc4	1700
+O(CCn1c(nc2c3n(nnn3)c4c(c12)cccc4)C)CCCc5cccnc5	9872
+c1(C)c(cc(cc1)C(CC(OCC)=O)=O)Br	4890
+C(c1c(OC)ccc(c1)Oc2ccccc2Cl)(C#N)C(=O)OCC	4891
+c1c(-c2ccc3OCOc3c2)ccc4c1CCC(=O)C4C(=O)OCC	4892
+C(Cc1nc(Cl)ccc1)(OCC)=O	9873
+c1cc(ccc1C#N)-c2cc3CCC(=O)C(C(=O)OCC)c3cc2	4892
+c1cc(ccc1F)C(CC(OCC)=O)=O	4890
+CCOC(C(c1cccc(c1OC)Oc2c(F)cccc2)C#N)=O	4891
+c1ccccc1COc2ccc(cc2)C(C(=O)OCC)C(=O)OCC	9874
+C(OC(OCC)C(C)N(Cc1c2ncccc2ccc1)C(C(NC(CN(NC(NCc3ccc(cc3)Cl)=O)C)=O)C)=O)C	207
+c1cc(ccc1)CNC(=O)NOCC(=O)NC(C(=O)N(Cc2c3ncccc3ccc2)C(C)C(OCC)OCC)C	207
+CCOC(OCC)CCNCC1OCCO1	132
+O(CC)C(OCC)COc1ccc(N)cc1Cl	0
+Cc1c2c(ccc1)ccs2	9875
+c1cc(ccc1)-c2cnc3c(C(=COCC)C(=O)N3)c2	4841
+C(OC(OCC)P(CC(c1ccc(cc1)OC)CN)(=O)OCC)C	157
+O=S(=O)(N)N1CCN(CC1)c2cncc3cc(oc23)C=O	2084
+O=Cc1cc2c(o1)cc(cc2)C(=O)OC	2084
+O(CC)C(c1cccc(-c2ccccc2-c3cc(ccc3OCc4ccccc4F)Cl)n1)=O	22
+c1cc(ccc1F)COc2c(cc(Cl)cc2)C=3CCCCC=3c4nc(ccc4)C(=O)OCC	22
+FC(F)(c1c(Br)cc(CN(S(=O)(=O)c2ccccc2)Cc3ccc(cc3)C(=O)OC)cc1)P(OCC)(O)=O	228
+O(CC)P(OCC)(C(F)(F)c1ccc(cc1Cl)CN(S(=O)(=O)c2c(C(=O)N)cccc2)Cc3ccccc3)=O	692
+O(CC)P(OCC)(C(F)(F)c1c(cc(cc1)CN2C(c3ccc(cc3)S(=O)(=O)C)=CN(C4CC4)C2=O)Br)=O	9876
+O(CC)P(OCC)(=O)C(F)(F)c1c(Br)cc(CN(S(=O)(=O)c2ccccc2)Cc3ccc(cc3)C(=O)OC)cc1	692
+O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCNC(=O)c1ccccc1	93
+O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCNCc1ccccc1	162
+C1CC(CCC12OCCO2)=CC#N	1573
+c1c(cccc1[N+]([O-])=O)C(=CC#N)c2cc(c(OC)cc2)OC	2719
+S(c1ccc2CCCC(=CC#N)c2c1)C	2011
+c1c2c(ccc(F)c2oc1)C=CC#N	2368
+c1c(c(ccc1C=CC(=O)NC2c3c(CC2)cccc3)-n4cc(nc4)C)OCC	2632
+C(OP(OCC)(Cc1cc(C#N)ncc1)=O)C	1303
+O(CC)P(OCC)(NC1CNCCC1Cl)=O	62
+O(CC)P(OCC)(=O)NC1C(Cl)CCN(c2ccncc2N)C1	13
+O(CC)P(OCC)(c1ccc2c(C(=O)OCC)nn(c2c1)CC(=O)N3CC(F)CC3C(NCc4c(c(Cl)ccc4)F)=O)=O	348
+C1CC1N2C(=O)N(Cc3ccc(C(F)(F)P(OCC)(=O)O)c(Br)c3)C(c4ccc(cc4)S(=O)(=O)C)=C2	228
+O=S(=O)(N(Cc1cc(Cl)c(cc1)C(F)(F)P(=O)(O)OCC)Cc2ccccc2)c3c(C(=O)N)cccc3	228
+C(OP(OCC)(=O)CCN=[N+]=[N-])C	310
+C(C)OP(OCC)(=O)CCNC1CCN(CC1)Cc2ccccc2	132
+C(C)OP(OCC)(=O)CCc1cc(C#N)ncc1	1303
+O(CC)P(OCC)(CCCNc1cc(Cc2ccc(cc2)F)cnc1C(=O)OCC)=O	839
+C(C)OP(OCC)(CCCN=[N+]=[N-])=O	310
+c1cc(ccc1C)S(=O)(=O)OCCCCCP(OCC)(OCC)=O	36
+O(CC)P(OCC)(CCCCCO)=O	59
+O(CC)P(OCC)(CCOCCN=[N+]=[N-])=O	310
+O(CC)P(OCC)(CCOCCN)=O	18
+C(C)OP(OCC)(=O)COCCCOn1c2c(nc1)c(nc(NC=O)n2)Cl	1876
+c1cc(ccc1CP(O)(=O)OCC)C(=O)c2ccccc2	228
+c1(noc(C=Cc2ccccc2OC(C)OC)c1)CC	9877
+C(C)OP(OCC)(=O)c1cc2c(c(C(O)=O)nn2CC(=O)N3CC(CC3C(NCc4c(F)c(ccc4)Cl)=O)F)cc1	6
+CCOP(OCC)(c1ccc(cc1)[N+]([O-])=O)=O	9878
+O(CC)P(OCC)(CCCCCOC(=O)C)=O	1586
+CCOP(OCC)(Cc1cc(ccc1)Oc2ccc(cn2)C)=O	1060
+C(OP(OCC)(=O)Cc1c(cccc1)Br)C	590
+C(OP(OCC)(=O)Cc1c(O)ccc(C=O)c1)C	1060
+CCOP(OCC)(Cc1cc(Br)c(c(Br)c1)Oc2cc(C(C)C)c(cc2)O)=O	590
+c12c(C(=O)N(C1=O)CCCCCCCCCCCCP(OCC)(OCC)=O)cccc2	1586
+CCOP(OCC)(Cc1cc(C#N)ccc1)=O	590
+CCOP(OCC)(Cc1cc(ccc1)Oc2ccc(Br)cn2)=O	1060
+CCOP(OCC)(=O)C1C(N2C(CCC2c3cc(F)c(cc3)F)CC1)=O	9879
+C(C)OP(OCC)(=O)Cc1ccc(cc1)C#N	590
+C(C)OP(OCC)(=O)Cc1ccc(cc1)C#N	1060
+O(CC)P(OCC)(Cc1ccc(cc1)C(=O)c2ccccc2)=O	590
+C(C)OP(OCC)(Cc1ccc(cc1)OCC2(CCCCC2)C)=O	590
+c1cc2c(cc1)n(c3c2cccc3)CCCP(OCC)(OCC)=O	1586
+c1cc(ccc1OP(OCC)c2ccccc2)OC	9880
+COc1cc(OCC)c(cc1)C(=O)O	6
+O(CC)c1c2c(cn(C)c2ccc1F)CC(=O)O	4
+c1ccccc1CNC(=O)Cc2cn(c3ccc(c(OCC)c23)F)C	9
+c1cc(OCC)cc2CC(Nc12)=O	1290
+O(CC)c1cc(cc(OCC)c1-n2cccc2)C=O	39
+O(CC)c1ccc(CC)c(c1)O	165
+c1ccccc1COc2c3c(nc(N)n2)n(CC4C(CC=CC4)COC(=O)C)cn3	637
+O(CC1C(CO)CC=CC1)C(=O)C	59
+c1(cc2NC(=O)COc2cc1)N3CC(CC3=O)COCOC	654
+c1ccccc1COc2c(cc(OCC3OC3)cc2)C(C)=O	22
+c1cc(ccc1OC)CC(C)(C)NCC(O)COCC=C	122
+c1c(c(O)c(Cl)cc1)CC=C	423
+c1cc(ccc1)Cn2c3c(c(OCC(=O)OCCBr)ccn3)cc2C	9881
+c1cc(ccc1C)-c2c(c(CC(C)C)nc3ccc(cc23)OCCOC(=O)C)C#N	8
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCOC(=O)C)c(cc45)OC)C)C	8
+C(OCCN1Cc2ccc(OCc3cccc(F)c3)cc2CC1)C	28
+C(CON=C(C(=O)C)C(OCC)=O)OCC	1071
+c1ccccc1CNCCCCCCOCCC#C	132
+c1c(cccc1CCCCOCCCCCCBr)NC(N)=O	213
+C(O)CC1n2c(cc(I)c2)C(NC1)=O	665
+c1cc(ccc1I)-n2nnc3cnc(Cl)nc23	3105
+c1cc(ccc1-n2nnc3c2nc(Cl)nc3)OC	3105
+c1cc(ccc1OCCOC)-n2nnc3c2nc(Cl)nc3	3105
+c1(ccc(C)n1-c2cc(C)c(c(CCCCCCCCCCOCOC)n2)OCc3ccccc3)C	3008
+C1(OCCCCCCCCCCCOCc2ccco2)CCCCO1	176
+c1cc(ccc1)COc2cc(OCCCCCCCCCCCCCCCCCC)cc(C(=O)OC)c2	22
+c1cc(ccc1)CC(=O)C=CC2N(CCCCOCC(=O)OC)C(CCC2)=O	1278
+O(CCCCN1C(=O)CCCC1C=O)CC(OC)=O	24
+c1cc(ccc1C(C)C)CNCCCOCC	42
+c1cc(NC(=O)OCCCl)ncc1Br	278
+c1(cc(cc(C)c1-c2cc(ccc2)C=O)OCCOCC)C	72
+c1cc(ccc1CC(OCC)=O)NC(=O)COCCCl	26
+O(CCSC(=O)C)Cn1c2ncccc2nc1	4893
+COCCN(CCOC)c1c([N+](=O)[O-])cc(-c2onc(-c3ccccc3OC)n2)cc1	910
+c12c(C(=O)N(C1=O)CCN3C(=O)C(C(NCCOCC)=O)=C(O)c4c3cc(cn4)Cc5ccc(cc5)F)cccc2	1112
+O(CCN1C(c2ccc(Cl)c(N)c2C=C1)=O)C(C)=O	0
+C1(=NCCc2ncccc2)C(N(C(=CN1)Cl)CCOC(C)=O)=O	9882
+O(CCN1Cc2n(nc(N)c2)CC1)C	161
+C(COCC(=O)NCCOCCOCCOCCN=[N+]=[N-])(=O)O	206
+Fc1cc(cc(F)c1Oc2ccc(cc2)S(=O)(=O)NCCOCCOCCOCCN=[N+]=[N-])C=C(C)C(=O)OCC	71
+c1cc(ccc1[N+](=O)[O-])C=Cc2cnc(OCCOCCOCCO)cc2	91
+c12n(COCCOC)c(nc1c(c(Cl)c(Cl)c2)Cl)Cl	9883
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCCOC)C	36
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C	1293
+c1ccccc1CSc2c(cc(cc2)[N+]([O-])=O)CCOC	607
+n1(c(nnn1)Br)CCO	59
+O(COC)c1ccc2ccc(nc2c1C#N)CO	453
+O(Cc1c(ccc([N+]([O-])=O)c1)C(=O)O)c2cccc(NC(C)=O)c2	1
+O(Cc1cc(N)ccc1Cl)c2cccnc2	0
+O(Cc1cc(N)ccc1Cl)c2cnc(cc2)F	0
+C(O)c1ccc(Br)c2oc(nc12)C	88
+C(O)c1ccc(c2c1cn(C)n2)F	88
+O(Cc1ccc(cn1)F)c2cc(c(cc2)CC[N+](=O)[O-])F	364
+O(Cc1cccc(F)c1)c2cc3c(cc2)CNCC3	162
+n1c(COC2COCC2)cccc1CN	421
+O=C1N(CCO1)c2ccc(NC(=O)N(OC)C)cc2Cl	2083
+c12OC(C)Cc1cccc2NNC(=O)N(OC)C	2452
+c1cc(ccc1)CN(Cc2ccccc2)C3COc4c(C3)c(-c5cnc(c(C(=O)NC)c5)OC)ccc4	156
+O(c1c(CO)cc(F)c(C)n1)C	382
+O=C(c1cccc(OCc2cccc(F)c2)c1C(=O)OC)O	1
+c12c(cccc1)C(=O)N(C2=O)CCCCCCCCOc3c(cccc3)C	1656
+c12c(ccnc1cccc2)NCCCCCCCCOc3c(C)cccc3	105
+c1ccn(c1)-c2cc(c(nc2C)OC)CC	9884
+O(c1c(CC)cc(c(C)n1)C(=N)NO)C	3106
+CCc1c(O)nc(C)c(c1)-c2cccs2	104
+CCc1c(O)nc(C)c(-c2ncon2)c1	104
+O(c1c(cc(F)cn1)C=O)C	200
+O(c1c(Cl)ncc(CO)c1)C	382
+O(c1c(Cl)ncc(CSC)c1)C	9885
+c1(cc(CNc2nc(ccc2)F)cnc1OC)F	4894
+c1cc(ccc1Cl)CNC(C2=CN(c3nc(c(cc3C2=O)I)OC)C)=O	3757
+O(c1c(I)cc2C(C(=CN(C)c2n1)C(=O)O)=O)C	108
+Clc1cnc(c(c1)Nc2c([N+]([O-])=O)cc(C)c(Cl)n2)OC	1970
+n1ccc(NC(C)c2ncc(cc2)F)nc1Nc3cccnc3OC	949
+O(c1c(OC)cc2c(c(ncn2)Nc3cc(ccc3)Br)c1)C(C)=O	73
+c1cc(ccc1F)Nc2c3c(ncn2)cc(c(OC(C)=O)c3)OC	73
+c1(cc(ccc1)Nc2c3cc(c(OC)cc3ncn2)O)Br	173
+c1cc(ccc1C(=O)O)CNc2nc(ccn2)-c3ccc(c(OC)c3)OC	4775
+c1(c(O)c(ccc1)C(=O)C)OCC=C	1691
+c1ccc(OCCC)c(N)c1	0
+O=S(=O)(Cc1cccc(OCCCCl)c1[N+]([O-])=O)c2c3c(ccc2)cccc3	1177
+O(c1c(c(CCC=C)cc(C)n1)CN)C	388
+O(c1c(c(cc(C)n1)C(CC=C)C)CN)C	388
+c1ccccc1CN2N=C(C(C(OC)=C2)=O)Cl	9886
+O(c1c(N)cc(CC)c(C)n1)C	13
+O(c1c(C(=O)O)cc(F)cn1)C	3070
+c1ccccc1S(=O)(=O)n2cc(c3cc(Br)cnc23)Cc4c(nc(cc4)NCc5c(ncc(c5)F)OC)F	4894
+O=C(c1c(c(c(cc1)OC)OC)N)O	0
+O(c1c(cccn1)CO)C	269
+c1cc(ccc1-c2ccc(cc2)Br)OCc3cccnc3OC	20
+O=C(N)c1c(O)nc(F)cn1	3107
+O=S(=O)(c1ccc(cc1)C)n2ccc3c(cnc(OC)c23)Br	9887
+n1ccc2n(cc(I)c2c1OC)C(CC)COC	9888
+c1cc(ccc1-c2nn3cc(OC)ccc3c2C(=O)c4nc(ccc4)C(=O)OC)F	9889
+c1cc(ccc1)NCC(=O)N2C3C(CCC(NC(=O)Nc4ccc(F)c(F)c4)C3)(CC2)c5ccc(OC)c(c5)OC	1391
+c1cccc2C(=O)N(C(c12)=O)CC(c3c(Cl)cc(cn3)OC)=O	9890
+O=S(=O)(Nc1ncc(Cl)cc1OC)c2cc(cnc2)Br	4895
+O=S(=O)(c1cnc(Cl)c(Br)c1)Nc2ncc(Cl)cc2OC	4895
+c12c(cccc1)C(=O)N(C2=O)CCCCCCCCOc3cc(ccc3)F	1656
+c1(ccc(NC(C)=O)cc1O)[N+]([O-])=O	173
+C1Cc2c(NC1=O)c(cc([N+]([O-])=O)c2)O	173
+O(c1c(cc(c(F)c1)N)F)c2ccnc(c2)NC(=O)CC	0
+c1(cc(cc(OC(=O)C)c1)C=Cc2ccc(cc2)OC(CCl)=O)OC(=O)C	9891
+c1c(OC)cc(cc1-c2cc(c(cc2F)[N+]([O-])=O)C3OCCO3)OC	1435
+c1(OC)cccc(c1)C(c2cccc(OC)c2)=CC#N	3099
+c1(OC)cc(cc(OC)c1)C=2C(N(C)c3cc(Cl)ncc3C=2)=O	9892
+c1cc(ccc1C(Nc2cc([nH]n2)CCc3cc(OC)cc(OC)c3)=O)N4CC(N(C)CC4)C	9893
+O(C)c1cc(cc(OC)c1)CCc2[nH]nc(NC(c3cnc(nc3)N4CCCN(CC4)CC)=O)c2	9894
+O(C)c1cc(cc(OC)c1)Nc2nc(Nc3c(cccc3)S(=O)(=O)C)c(cn2)C(=O)OCC	73
+c1(OC)cc(cc(OC)c1)OCC(O)=O	3
+COc1cc(cc(OC)c1C(=C)C)OC	1707
+O(C)c1cc(cc(OC)c1OC)-c2nccc(CN)c2	45
+C1CC(CCN1Cc2cc(ncc2)-c3cc(OC)c(c(OC)c3)OC)Nc4cc5c(cc4)OCO5	231
+c1(cc(cc(OC)c1OC)C(N)=S)OC	581
+O(c1c(C(=O)c2c(ccc(Br)c2Cl)OC)c(cc(c1OC)OC)C)C	222
+c1(OC)cc(cc(OC)n1)CO	49
+COCCOc1cc(cc(OCCOC)c1)CCl	438
+O(c1cc2c(cc1)C(O)CCC2)c3ncc(cc3)C(=O)N	74
+N1(c2c(Cl)cccc2)c3cc(OC)cc(-c4ccccc4Cl)c3CCC1=O	11
+c1cc(ccc1Br)Oc2c3CCC(c3c(cc2)F)Oc4ccc5c(c4)OCC5CC(OC)=O	472
+c1cc(Oc2cc(NC)ncn2)cc3CCCNc13	1352
+O(c1cc2nc[nH]c2cc1)CCCCCCCCCCCCN=[N+]=[N-]	310
+O(c1ccnc(CCC)c1)C	174
+C1c2c(ccc(OC)c2CC1)OCC(=O)c3sccc3	702
+c1ccccc1CNCc2cc(Br)ccc2Oc3c(OC)ccc(CC(=O)OCC)c3	42
+c12n(ccn1)c3ccccc3c4c2cc(cc4)Oc5cccc(c5)Oc6ccccn6	754
+c1c(N)cc(Oc2cnc(cc2)Cl)cc1	106
+c1c(OC)c(c(cc1)OC)C(CC)C	564
+c1c(Oc2cccnc2C#N)cc(F)cc1	9895
+c1(ccccc1OC)OC(CNCCCc2c3cc(ccc3[nH]c2)F)C	463
+O(c1cccnc1)c2cc(OCCOC)c(nc2)NC(=S)n3cncc3	9896
+NC(Nc1ncc(Oc2cccnc2)cc1OCCOC)=S	9897
+O(c1cccnc1Br)CC(=O)O	4
+O(C)C1=CC=CN2C1=NNC2=O	9898
+c1cc(ccc1Br)CN2C=CC=C(OC)C2=O	4896
+c1cc(ccc1-n2cc(nc2)CNC(c3sc(cc3)Cl)=O)N4C(C(OC)=CC=C4)=O	9899
+c1cc(ccc1)CN2C(C(=CC=C2)OC)=O	4896
+O(CC(=O)OC)c1c(O)cccn1	2156
+O(C)c1sc(C(=O)O)cc1	9900
+O=C(NC)c1c(C)nc2n1ccc(O)c2	5
+O(c1ccn2c(c1)nc(C)c2C(=O)O)C	6
+O(c1ccnc(-c2cnn(C)c2)c1)c3cnc(cc3)N	161
+O(c1ccnc(-c2oc(nc2)C)c1)c3cnc(cc3)N	161
+c1(-c2nccc(OC)c2)cc([N+]([O-])=O)ccc1	119
+c1cc(ccc1-c2cc(OC)ccn2)F	119
+n1ccc(Oc2cnc(cc2)[N+]([O-])=O)cc1NC(C)=O	1153
+c1cc(ccc1)CN2C(C=C(OC)C=C2)=O	9901
+c1cc(ccc1)Cn2c3c(cc2C)c(ccn3)OC	1836
+O(c1ccnc2c1cc(C)[nH]2)C	9902
+c1c(c(-c2nc(OC)c(c(c2)N)[N+](=O)[O-])ccc1)Cl	140
+Nc1ccc(OCC)nc1NC	13
+O(c1ncc(CO)cc1[N+](=O)[O-])C	382
+O(c1ncc(cc1[N+](=O)[O-])C=O)C	200
+O(c1c(N)cc(Cl)cn1)C	13
+Fc1cc(c(F)cc1C)-c2ccc(nn2)OC3CCN4CCCC3C4	519
+NC(=O)c1c(NCc2cnn(C)c2)nc(Nc3cccc(c3)NC(C)=O)nc1	9903
+O1CCOC12CC3CCOc4c(cc(C)c(N)c4)C3(CC)CC2	2471
+c1(cc(cc(F)c1-c2c(c(nnc2C)-c3c(cccc3)F)-c4cc(OC)cc(OC)c4)F)F	9904
+c1cc(ccc1-n2c(c(Cl)nc2C)-c3c(F)c(C#N)ccc3F)Cl	4778
+c1cc(ccc1C23Cn4c(C(=O)N2CCN3)ccc4C)OC	9905
+c1cc(ccc1N2C(=Nc3c(cccc3)C2=O)c4cnc(C)cc4)C5CCCC5	4650
+Cc1ccc2nc(C)ccc2c1[N+]([O-])=O	9906
+c1ccccc1COc2c3n(cc(c2)C)c(c(n3)C)C(OCC)=O	4788
+C1CC1C(c2cccc(c2)O)CC(=O)O	9907
+C1CC(C(C)O1)Sc2c3ccccc3ncc2I	1275
+Cc1cc(cc(C)c1)OCC(O)C	626
+c1cc(ccc1[N+](=O)[O-])Oc2c3c(cc(OCC(O)C)cc3)ncc2	626
+C(O)(C)Cn1c2c3c(CCCc3n1)cc([N+]([O-])=O)c2	4411
+c1ccccc1COc2cc(ccc2)C3(CC(OCC3)C)O	251
+c1(ncnc2[nH]cc(c12)-c3cc(ccc3)C#N)N4CCOC(C)C4	778
+C1CC(CCN1CC(O)COc2nccnc2Cl)N3CCN(c4ccccc4)C3=O	170
+O1C(COc2c(cccc2)C=Cc3cc(no3)CC)C1	8
+O1C(COc2c(NC(=O)N)cccc2)C1	8
+c1(C=O)cccc(OCC2CO2)c1	8
+c1(cccc(OCC2CO2)c1)Br	8
+c12ccc(F)cc1c3c(n2CC4CO4)cc(F)cc3	935
+c12c3ccc(F)cc3n(c1cc(F)cc2)CC4CO4	935
+c1c(c(N)ccc1Oc2c3cc(C#N)c(OCC4CO4)cc3ncc2)F	8
+O(CC1CO1)c2ccc(c(C(=O)C)c2)O	8
+c1ccccc1-n2c3ccccc3c(c2N4CCN(CC5OC5)CCC4)C=O	28
+c1ccccc1C(=O)Nc2c(cccc2)OCC3CO3	8
+c1cc(ccc1)CCCCCCCCOCC2OC2	176
+c1cc(ccc1Br)OCC2CO2	8
+c1cc(ccc1OCC2CO2)Nc3ncnc(c3)Nc4cccc(c4)C	8
+c12c(cccc1)c3c(cccc3)n2CC4OC4	935
+O1C(COc2ccccc2-c3ccc(Cl)nn3)C1	8
+c1cc(cc(c1)C)Nc2ncnc(Nc3cc(ccc3)OCC4OC4)c2	8
+c1cc(ccc1CC)OCC(CC)O	626
+C(C(=O)O)COc1cccc(Cl)c1Cl	4602
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CCC3CO3)CC2)=O)=O	638
+O=S(=O)(c1ccc(cc1)CNCC(O)CCC)C	122
+c1c(ccc(c1C(OCCCCCCCCOC(C2CCCO2)=O)=O)O)O	9908
+O1C(CCC1CCCCCCCC(=O)O)CCC(O)(CCCCC)C	736
+O1C(CCCCCCCC(=O)O)CCC1CCC(CCCCC)=O	4
+O(CC1OC1)c2c(cccc2)OC	72
+C(COc1cccc(C=O)c1)(CCl)O	626
+c1cc(ccc1)-c2cc(C(=O)CCc3cc(C)c(c(C)c3)OCC4CO4)sc2CC	72
+c1cc(ccc1)COc2c(ccc(C3=CC(c4c(O3)ccc(OCC5CO5)c4)=O)c2)OCc6ccccc6	72
+c1cc(ccc1)COc2cc(cc(OCc3ccccc3)c2)C4=CC(c5ccc(cc5O4)OCC6OC6)=O	72
+c1cc(ccc1-c2nc3c(ccc(c3)OCC4OC4)o2)C#N	72
+c1cc(ccc1OCC2CO2)C(=Cc3ccc(F)c(c3)C)C(OC)=O	72
+c1cc(ccc1OC)C=2C(=O)c3ccc(cc3OC=2)OCC4CO4	72
+c1cc(ccc1C2(C(N(C)c3c(S2)cccc3)=O)C#N)OCC4CO4	72
+c1cc(ccc1OCC2CO2)C=3C(c4c(OC=3)cc(OC)cc4)=O	72
+C1CCC(C1)OCCOc2ccc(cc2)OCC3OC3	72
+O1C(COc2c3c(ccc2)[nH]c4c3cccc4)C1	72
+c12c(cccc1)CCc3c(cccc3)N2CC4OC4	9909
+c1ccccc1-c2cc(C(=O)CCc3cc(C)c(c(C)c3)OCC4CO4)sc2C	72
+c1cc(ccc1NC(NCC2OCCN(Cc3ccc(Cl)c(Cl)c3)C2)=O)Oc4ccccc4	282
+c1cc(ccc1OCC(O)CO)CCCCO	626
+c1ccccc1COCC2OC2	149
+c1ccccc1COC(NCCCCc2ccc(c3ccccc23)OCC(O)CO)=O	626
+c1cc(ccn1)OCC2CO2	1175
+Nc1c(ncnc1NC2COC(CO)C2)Cl	40
+O=S(=O)(c1ccc(cc1)C)OCC2OCN(C2)c3cc4N=C5N(c6c(cc(F)cc6)C5=O)C(=O)c4cc3	36
+O=S(=O)(OCC1CNC(=O)CO1)c2ccc(cc2)C	36
+c1cc(ccc1C=2CCN(C(=O)OCc3ccccc3)CC=2)N4CC(OC4=O)CO	1774
+C1C=C(c2ccc(N3CC(CO)OC3=O)cc2F)CCS1	1774
+c1(N2CC(CO)OC2=O)ccc(N3CC(N(CC3)C)=O)c(F)c1	1774
+c1(N2CC(CO)OC2=O)ccc(N3CC(N(CC3)CCOC)=O)c(F)c1	1774
+c1(N2CC(CO)OC2=O)ccc(N3CC(N(CC3)CC)=O)c(F)c1	1774
+O=S(=O)(c1ccc(cc1Cl)Cl)NCCCCNCC(COC)O	122
+c1cc(ccc1C)S(=O)(=O)n2c3ncc(cc3c(-c4ncc(c(NC5CCCN(C5)CC(O)COC)n4)F)c2)Cl	170
+C(CNCC(COc1c2c(ccc1)[nH]c3c2cccc3)O)COc4c(Cl)cc(cc4)C5=NNC(CC5)=O	122
+C1CN(CCN1Cc2ccccc2)CC(O)COc3cccc4[nH]c5c(cccc5)c34	170
+c1cc(ccc1)CN2CCC(CC2)NCC(O)COc3cccc4c3c5c([nH]4)cccc5	122
+c1ccccc1CN(CC(O)COc2cccc3[nH]c4c(cccc4)c23)CCOc5c(cccc5)OC	170
+c1cc(ccc1)C(c2ccccc2)OCC3CCN(CC3)CC4(C)Oc5c(C4)c(C)c(N)c(C)c5C	28
+O=Cc1c(ccc(c1OC)OC)O	805
+c1(ccc2c(c1)COC2=O)NCCCl	15
+C1(CCO)OCCc2ccccc12	21
+c12c(C)cccc1c(ccc2C(=O)N3CC4OCC3C4)OC	30
+O=S(=O)(c1ccc(NC(CCCc2ccc(cc2)B(O)O)=O)cc1C#N)CC	9910
+CC1(C)COB(OC1)c2c(cc3c(c(c[nH]3)C(OC)=O)c2)Cl	734
+CC1(C)COB(OC1)c2c(Cl)cc3c(c2)cc[nH]3	734
+C1OB(OCC1(C)C)c2cc([N+]([O-])=O)cc(c2)F	734
+C1OB(OCC1(C)C)c2cc(N)c(cc2)-n3nccc3	734
+O1CC(COB1c2ccc(cc2)C3CCN(C(=O)OC)C3)(C)C	734
+C1OB(OCC1(C)C)c2ccc(cc2)OCCN3CCOCC3	734
+C1OB(OCC1(C)C)c2ccc(cc2)OCCO	734
+C1OB(OCC1(C)C)c2cc(-c3cccnc3)ccc2	734
+OCCC1COc2c(cccc2)O1	88
+c1cc(ccc1-c2c(cc3c(c(C=O)c[nH]3)c2)Cl)C4CCN(C(=O)OC)C4	749
+OCC(CO)(NC(CCl)=O)c1cc(ncc1)Br	1192
+c1c(C)c(c(cc1-c2nc(on2)-c3sc(C)c4C5C(Cc34)C5(C)C)C)OCC6COC(OC6)(C)C	20
+CC1(C)OCC(CO1)c2ccc(cc2)Oc3c(C)c(ncn3)OC4CCN(CC4)c5ncccn5	185
+O1CC(COC1(C)C)c2ccc(cc2)Oc3ncnc(c3[N+]([O-])=O)Cl	185
+O1CC(COC1(C)C)c2ccc(cc2)O	16
+CC(C)c1noc(C2CCN(CC2)c3ncnc(Oc4ccc(cc4)C(CO)CO)c3[N+]([O-])=O)n1	1192
+O1CC(COC1(C)C2CCC(CC2)=O)(C)C	86
+C1OC2(CCC2)OCC1COc3c(C)c[n+]([O-])c(c3C)C	857
+C1OC2C(COC2C1N=[N+]=[N-])N	18
+NC1Cc2c(OC1)c(F)ccc2C(=O)N	157
+O1CC2(COC1(OC2)C3CCC(CC3)C#C)CCC	9911
+C(N(C)C1CCOc2cccnc12)c3nc4cccc(F)n4c3	4675
+c1c(cc2c(noc2c1)OCC3CCO3)Br	9912
+c1ccccc1[Si](c2ccccc2)(OCC3C(O)CCCO3)C(C)(C)C	328
+C1OC(C(Nc2cc(ccc2Nc3c(c(C(=O)OC)ccc3)C)F)=O)CC1	1294
+C1CCOC1Cn2c3cccc(Cl)c3cc2	339
+C1CCOC1COc2cccc(Br)c2	20
+C1CCOC1COc2c(ccc(n2)C(=O)O)Br	91
+c1cc(ccc1C(Nc2nc(OCC3OCCC3)cc(n2)Nc4cnccn4)C)F	145
+C1OC(CCC1)Oc2cc(O)c(C=O)c(Cl)c2	1136
+C1OC(CCC1)OCCCCBr	219
+Cc1c(cnn1C2CCCCO2)Br	1738
+C1CCCC(n2cnc3c2nc(nc3Cl)C)O1	3673
+c1(OC)cc(cc(OC)c1)-c2ncc3c(nn(c3c2)C4CCCCO4)I	580
+C1OC(CCC1)OCC2CCc3cc([N+]([O-])=O)ccc3O2	219
+n1(nc(cc1[N+]([O-])=O)C(=O)OC)C2CCCCO2	1738
+C1OC(CCC1)OCC2Oc3c(cc(cc3CC2)F)[N+]([O-])=O	219
+n1c2cc(cc([N+]([O-])=O)c2cn1C3CCCCO3)Br	4897
+c1(C=O)cccc(c1)OC2OCCCC2	1136
+c1(cc2n(C3CCCCO3)ncc2cc1Br)F	580
+C1CCCC(O1)n2cnc3c2cc(cc3C)Br	3108
+C1CCCC(n2c3c(c(Cl)c(cc3)Br)cn2)O1	580
+C1CCCC(O1)n2cnc3c2cc(Cl)nc3C#N	3108
+C1CCCC(O1)n2cnc3c2ccc(Br)c3Cl	3108
+C1CCCC(n2c3ccc([N+]([O-])=O)cc3c(C=O)n2)O1	580
+C1CCCC(n2c3cc(ccc3cn2)CBr)O1	580
+C1CC=COC1n2nc(c3c2cccc3)Br	9913
+C1OC(CCC1)OCCc2nc(ccc2)Br	219
+c1(Cl)cncc(Cl)c1COC2OCCCC2	219
+c1cc2n(C3CCCCO3)nc(C(N(OC)C)=O)c2cc1I	580
+O1CCCCC1Oc2ccc(OC)c(OC)c2	1136
+n1c2c(cc(c(Br)c2)O)cn1C3CCCCO3	4897
+c1c(cc2c(c1)n(C3CCCCO3)nc2C(=O)OC)Br	580
+c1c(cc2c(c1)n(C3CCCCO3)nc2)Br	580
+C1OC(CCC1)Oc2cc3ccc(Cl)nc3cc2	1136
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c(n(C4CCCCO4)nc3)cc2Br	580
+c1cc(ccc1)C(OCC(COC2CCCCO2)C)=O	219
+c1ccccc1C(C)(COC2OCCCC2)CCCCCN	219
+c1ccccc1C(CCCCBr)(C)COC2OCCCC2	219
+c1cc(ccc1)COc2cc(C(OCC)=O)nc(COC3CCCCO3)c2	219
+c1cc(ccc1Cl)-c2c(sc(c2)Br)COC3CCCCO3	219
+c1cc(ccc1Br)C(C)CCOC2CCCCO2	219
+c1cc(ccc1C)S(=O)(=O)OCCOCC(OC2OCCCC2)c3ccc4sccc4c3	219
+c1cc(ccc1C2C(c3ccc(Cl)c(F)c3)=C(C)c4c(O2)ccc(c4)OC5CCCCO5)I	1136
+c1cc(ccc1CC(=O)c2c(cc(cc2)OC3CCCCO3)O)F	9914
+c1cc(ccc1CCOC2CCCCO2)Br	219
+c1cc(ccc1F)-c2nn(C3OCCCC3)c4ccc(cc24)Br	580
+c1cc(ccc1I)OC2OCCCC2	1136
+c1cc(ccc1N(CCCCCCOC2CCCCO2)CC)Br	219
+c1ccccc1COc2cc(COC3OCCCC3)ccc2I	219
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3ccc4c(n(nc4C(OCC)=O)C5OCCCC5)c3	580
+C1OC(CCC1)OCCn2c(nnn2)Br	219
+C1CCCC(n2cc(cn2)Br)O1	1738
+C1CCCC(n2cnc(-c3c(c(c(Br)s3)C#N)Br)n2)O1	9915
+O1CCCn2c1c(C(=O)C)cn2	9916
+c1cc(ccc1F)-c2oc(C)c(CC(NCC3CN(C(c4cc(Cl)c(Cl)cc4)=O)CCO3)=O)n2	9
+c1(cc(C#N)ccn1)-c2cn(CC3CN(C)CCO3)cn2	871
+c1cc(ccc1F)N2CCN(CC2)C(OCC3CN(C)CCO3)=O	2078
+c1cc(ccc1C)OCCNC(=O)C	9917
+O=Cc1cc(cc(OC)c1OCOC)N2CCOC2=O	2663
+N1(CCOC1=O)Cc2cc(ccc2Cl)Br	9918
+c1cc(ccc1N2CCOC2=O)C(CCC(CCC(=O)OCC)=O)=O	2663
+c1cc(ccc1)CN2CCOC(C2)CCC#N	171
+C1C(CC1)c2ccc(c(F)c2OC)-c3cc4OCCNc4nc3	89
+Brc1cc(cc(Br)c1OC)C(=O)N2c3ccncc3OCC2	448
+c1([N+]([O-])=O)cccc(-c2cc3c(OCCN3)nc2)c1	89
+c1(cc(cc(Br)c1O)C(N2c3c(nccc3)OCC2)=O)Br	3002
+O=S1(=O)CCCN1CC23CC4CC(C2)C(C(C)=O)(C3)C4	97
+C1(=O)CCC(=O)N1OC(CCC2(OCCO2)C)=O	884
+O1CCOC1(C)CCCNc2c(cnc3ccccc23)N	13
+C1COC(O1)(C)CC(Cc2ccccc2)N	45
+C1CC1(O)CC(c2cc(ccc2F)Br)=O	1367
+O1CCOC1(CCOc2c(C)c(ncc2)COC(=O)C)CCC	174
+O1CCOC1(CCOc2ccnc(CO)c2C)CCC	59
+c1cc(ccc1C(=O)c2ccc3c(c(cc(O)n3)-c4cccc(c4)OC)c2)Cl	4898
+O1CCOC1(C)c2cccc(C(CCON=C(c3nc(C)ccc3)C)O)n2	3214
+O1CCOC1(c2oc3c(c(ccc3OC)N)c2)C	0
+O1CCOC12CCC(C2CCCCCCCO)C=O	9919
+C(O)CCCCCCC1C(CCC1C=CC(C(C)CCCC)=O)=O	97
+O1CCOC12C(CCCCCCCO)C(CC2)C=CC(O)C(CCCC)C	1565
+C(O)CCCCCCC1C(CCC1=O)C=CC(O)C(CCCC)C	97
+c1cc(ccc1CNC2CCC3(OCCO3)CC2(C)C)OC	87
+O1CCOC12CC(c3cc(c(cc3F)C(=O)O)F)CC2	595
+C1CC2(CCC1c3cccc(F)c3)OCCO2	191
+C1CC2(OCCO2)CCC1c3cc(F)c(cc3)F	191
+CC(C)Oc1cc(c(cc1[N+]([O-])=O)C)C=2CCC(CC=2)=O	9920
+C1(CCN(C)C(CC1)=O)=O	97
+O1CCOC12C(CCCCCCCO)C(C=CC(=O)C(CCCC)C)CC2	9921
+c1cc(ccc1C(C#CC2(CCC3(CC2)OCCO3)O)O)C	4019
+C1COC2(O1)CCC(CC2)(NC(=O)OCc3ccccc3)C	3791
+C1COC2(CCC3(CC2)C(O)=C(c4c(ccc(c4)Br)C)C(=O)N3)O1	997
+O1CCOC12CCC(CC2)(C(=O)OC)NC(Cc3cc(ccc3C)Br)=O	726
+C1CC(CCC1=O)(OC)C	97
+C1CC(CCC1=O)(OC)c2c(Cl)cccn2	97
+c1cc(ccc1F)C2(CCC(CC2)=O)OC	97
+O1CCOC12CCC(c3cc(F)c(F)cc3F)=CC2	252
+C1COC2(O1)CCC(CC2)(c3ccc(cc3)Br)CO	21
+C1CC(CCC1=O)(c2cnc(cc2)C#N)O	97
+O1CCOC12CC=C(CC2)c3cc(F)ccc3	252
+c1cc(ccc1CC2CCC3(CC2)OCCO3)F	1028
+c1cc(ccc1)CC2CCC3(CC2)OCCO3	1028
+C1COC2(CCC(CC2)O)O1	100
+C1COC2(CCC(CC2)(C)O)O1	736
+O1CCOC12CCC(CC2)(c3c(cc(c(F)c3)F)F)O	251
+C1CC(CCC12OCCO2)(O)c3cc4c(OCO4)cc3	251
+C1CC(CCC12OCCO2)(c3ccc(O)cn3)O	938
+C1COC2(O1)CCC(CC2)NC(C)c3ccccc3	87
+C1COC2(CCC(CC2)Nc3ccnn3Cc4ccccc4)O1	1270
+C1CC(CCC12OCCO2)=CCC(C)C	9922
+O1CCOC12CCC(CC2)=Cc3ccc(cc3)F	9923
+c1cc(ccc1C2(CCC3(OCCO3)CC2)O)F	1035
+O1CCOC12CCC(CC2)(c3ccc(nc3)F)O	1239
+O1CCOC12CCC(CC2)Nc3ccccc3O	231
+C1COC2(O1)CCC(CC2)=Cc3ccccc3Cl	9924
+C1COC2(CCC(CC2)Nc3[nH]cnn3)O1	1478
+C1COC2(CCC(CC2)C=O)O1	578
+C1COC2(CCC(CC2)CO)O1	44
+O=S(=O)(C)c1ccc(cc1Cl)C(C(OC)=O)CC2CCC(CC2)=O	97
+C1CC(CCC1=O)Cc2c(cccc2)Cl	97
+C1CC(CCC1=O)c2cc(c(F)cc2F)F	97
+C1CC(CCC1=O)c2cnc(N)c(-c3cc(c(C(NCc4ccccc4)=O)cc3)F)n2	97
+O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3	191
+C1CC2(CCC1=O)CN(CCCC)CC2	97
+c1cc(ccc1CCN2CCCC3(OCCO3)CC2)OC	28
+O1CCOC12CCCNCC2	215
+C1CN(CCC1=O)c2ccc(Cl)c(c2)OC	97
+c1cc(ccc1N2CCC(CC2)=O)Br	97
+c1cc(ccc1N2CCC(CC2)=O)C(=O)O	97
+O1CCOC12CCN(CC2)c3ccc(cc3)C(=O)O	6
+C1CN(CCO1)Cc2ccc(cc2)N3CCC(CC3)=O	97
+c1cc(ccc1N2CCC3(CC2)OCCO3)NS(=O)(=O)c4ccc(cc4)NC(C)=O	69
+O1CCOC12CCN(CC2)c3ccc(cc3)N	0
+C1CC(CCN1c2n(Cc3ccc(cc3)F)c4c(cccc4)n2)=O	97
+C1CC(CCN1c2ncc(cn2)Cl)=O	97
+C1CC(CCN1c2snc(n2)C)=O	97
+O1CCOC12CCN(CC2)c3snc(n3)C	4160
+O1CCOC12CCN(CC2)c3ccc(Cl)c(c3)OC	79
+C1COC2(O1)CCN(CC2)Cc3ccc(c(F)c3)F	9925
+O1CCOC12CCN(CC2)c3ccc(cc3)C=O	34
+O1CCOC12CCN(CC2)c3ccc(cc3)Br	560
+C1CC2(CCN1CCCOCCc3ccccc3)OCCO2	61
+O1CCOC12CCN(CC2)c3ncc(cn3)Cl	117
+C1CN(CCC12OCCO2)c3ncnc(Cl)c3	54
+C1COC2(CCN(CC2)c3nc4c(c(NC)n3)nc(NCCC)nc4NC)O1	549
+CC(C)C1CC(CCS1)=O	97
+C1CC(Cc2sc3ncnc(c3c12)Nc4cc(Cl)c(F)cc4)=O	97
+CC(C)C1CC(C(C)CC=O)CCC1	812
+CC1(C)C2(C(CC1CC=O)C2)C	812
+c1cc(ccc1CCCC=O)C#N	812
+c1cc(ccc1CCC=O)-c2c(F)c(c(cc2)OCC)F	812
+CN(C)c1cc(ccc1O)C=O	494
+c1ccccc1Cc2c(F)ccc(c2)C=O	494
+NC1=C(NCCCOc2cc(ccc2)C=O)C(=O)C1=O	494
+c1cc(ccc1F)Cc2oc3c(c2)cc(cc3)C=O	494
+O1CCOC1c2cc(Cl)c(cc2)Oc3cc(N)c(cc3)N	2609
+O1CCOC1c2ccc(cc2)Oc3ccc(N)c(C)c3	0
+O1CCOC1c2cc3c(oc(Cc4ccc(cc4)F)c3)cc2	9926
+CC(C)(c1cccc(c1)C=O)COC	494
+O=Cc1cc(-c2nc(SC)nc(C)n2)c(nc1)Nc3ccc(nc3)OC	9927
+O1CCOC1c2cnc(Nc3ccc(nc3)OC)c(c2)-c4nc(SC)nc(C)n4	2097
+c1(c(N)cc(F)cn1)C=O	9928
+c1cc(ccc1S(=O)(=O)Nc2c(nc3c(cccc3)n2)Nc4ccc5OCCOc5c4)Cl	9929
+c1(-c2nc3n(c2Nc4cc5c(OCCO5)cc4)c(F)ccc3)c(cccc1Cl)F	1891
+c1(I)c2CCOc2ncc1[N+](=O)[O-]	475
+O1CCc2c3n(ncc3CCN)ccc12	51
+c1(Nc2nc(Cl)ncc2)c(Cl)ccc3OCOc13	73
+O=S(=O)(C)OCC(CCCCC)c1c2OCOc2ccc1	7
+c1(n(c2nc(nc(N)c2n1)F)CCCCCCCO)Cc3c(I)cc4OCOc4c3	4777
+c1cc(ccc1OC(C(=O)N2OCCC2)C)O	9930
+O1c2cc(ccc2CCC1C(OCC)=O)O	165
+c1ccccc1COc2cc3c(cc2)C(=O)NCCO3	22
+O1CCNc2c1ncc(Br)c2	15
+O1CCNc2cccnc12	15
+O1CCNc2c1cncc2	15
+CC1(C)Oc2cc([N+](=O)[O-])ccc2O1	77
+c1(c2OC(CO)CCc2cc(c1)F)[N+]([O-])=O	21
+C(CC1Oc2c(C1)cc([N+]([O-])=O)cc2)C#N	31
+c1c(cc2OCOc2c1CC)Br	414
+c1ccccc1COCCCOc2ccc3CCC(C(=O)OCC)Oc3c2	8
+c1cc(ccc1)CN2c3c(OC(C2)C(OCC)=O)ccc(Cl)c3	507
+c1cc(ccc1Br)S(=O)(=O)OCC2COc3ccc4nc(C)ccc4c3O2	1226
+c1cc(ccc1S(=O)(=O)OCC2COc3ccc4nc(C)ccc4c3O2)C	36
+c1cc(ccc1S(=O)(=O)OCC2Oc3c(Br)cccc3OC2)C	36
+Cc1nc(CNC(C2CNc3c(cccc3)O2)=O)on1	9
+O1CCNc2c1ccnc2	15
+c1(c(c(c2c(c1)CC(C2=O)CCCl)Cl)Cl)OC	9931
+O=C(C(=COC)c1ccccc1Oc2cc(N)ccc2)OC	2737
+n1c(Br)ccc(c1)C2N(c3c(Cl)cccc3)N=C(C(OC)=O)C2	9932
+C1(N(c2c(Cl)cccc2)N=C(C(OC)=O)C1)c3ccc(Br)c(F)c3	4899
+O=C(C(=O)c1cc(NC(C)=O)c(cc1C)F)OCC	26
+c1[nH]c2cccc(Cl)c2c1CCO	9933
+N1C(C(c2c3c4n(c2)CCc4ccc3)=C(C1=O)c5c[nH]c6ccccc56)=O	2218
+O=C(C(=O)c1c(cc(F)c(N)c1)C)OCC	0
+S(C)c1ccc(cc1Cl)C(=O)C(O)=O	4714
+Cc1c(C(=O)OC)nc2n1nc(cc2)Cl	9934
+c1ccccc1COc2ccc(cc2)-n3c(c(nc3-c4ccc(cc4Cl)Cl)C(=O)OCC)C	4900
+c1cc(ccc1OCc2ccccc2)-n3c(nc(C(OCC)=O)c3C)-c4ccccc4Cl	4900
+c1cc(ccc1C)Cc2nc(O)c(nn2)C(NC(=O)C(CCCCC)C(C)=O)C	4901
+c1c(C2NC(C(=O)OC)(C)Cc3c4cc(OC)ccc4[nH]c23)cccc1O	3109
+c1cc(ccc1)C2NC(C)(Cc3c4c([nH]c23)ccc(OC)c4)C(=O)OC	3109
+c1c(C2NC(C(=O)OC)(C)Cc3c4cc(OCC)ccc4[nH]c23)cccc1O	3109
+c1ccccc1COC(=O)NCC(C)C(O)=O	101
+c1c(cc2c(c1)C=C(CC(=N)N2)C(=O)OCC)Br	9935
+C(N(OC)C(C1=C(O)C(=O)N(C1)C)=O)c2cccc(F)c2	4902
+C(OC(CC(CO)N1C(NC(C=C1)=O)=O)=O)C	44
+o1nc(cc1-c2cc(ccc2)Br)C(=O)OC	1208
+c1c(nn(-c2nnc(cc2)Cl)c1-c3ncccc3)C(=O)OC	4903
+c1cc(ccc1C)-c2n3c(c4ccccc4n3)nc(c2C(CCC)C(OC)=O)C	2057
+c1cc(ccc1)[Si](c2ccccc2)(OCC(C)C(OC)=O)C(C)(C)C	328
+C(C)OC(c1csc2cc(OC)ccc12)=O	9936
+O=C(C(C)(Cc1c[nH]c2c1cc(OCC)cc2)N)OC	9937
+Clc1ccc2cc(C(=O)OCC)[nH]c2c1	3056
+CCOC(c1cc2c(c(Cl)ncc2)[nH]1)=O	4904
+Clc1cc(Cl)nc(c1)NC(C(OC)=O)C	4905
+C1(NC(=O)C(c2c3n(ccc3ccc2)CC)=C1c4c[nH]c5ccccc45)=O	2218
+c1c2c(ccc1CC)c(C=3C(NC(=O)C=3c4c5c(ccn5C)ccc4)=O)c[nH]2	2218
+c1(cc(ccc1)C(CO)(C)N)Br	95
+O=C(C(=O)c1cc([N+]([O-])=O)c(cc1C)F)OCC	31
+c1ccccc1COc2c(cc3C4CC(C(C(OCC)=O)=CN4C(CC)Cc3c2)=O)OC	2745
+O=S(=O)(N(C(C)=O)N1C(Nc2c(cc(c(c2)C(C)C)-c3n(ncc3)C)C1=O)=O)C	9938
+O=S(=O)(CC(c1noc(C)n1)(C)NC(=O)OCc2ccccc2)C	4906
+O=S(=O)(CCCCC)NC(=O)c1cc(c(NC(=O)C)cc1)N(C)Cc2ccc(Cl)cc2Cl	26
+c1cc(ccc1OCC#CC)S(=O)(=O)N2C(C(OCC)=O)CN(CC2)C(C)=O	58
+c1cc(ccc1S(=O)(=O)N2c3cc(ncc3N(C(=O)C)C(C)C2)Br)C	2052
+O=S(=O)(NC1Cc2c(cc(cc2)-c3cccc(CNC(=O)C)c3)C1)C(C)C	68
+c1cc(ccc1)Oc2c(cc(c(c2)C(=O)C)OC)NS(=O)(=O)C	94
+O=S(=O)(c1ccccc1[N+](=O)[O-])N(CCC)CCCn2c3c(c4c5c(C(CC5)=O)ccc24)cc(cc3)C(=O)C	94
+O=C(O)C(CCSC)OC(C)=O	4907
+Fc1c(c(Nc2ccc(I)cc2C)c(C(=O)NOCCOC(=O)C)cc1F)F	204
+Oc1c(ccc([N+]([O-])=O)c1C)C(=O)C	94
+[n+]1([O-])ccc(Cl)cc1C	9939
+c1(c2c(ccc(OC)c2)ccc1)C(CO)CNC(C)=O	68
+s1c(CC(OC)=O)ccc1C(=O)C	1808
+C(c1ccc(Br)c2oc(nc12)C)(=O)OC	9940
+c1(c(ccs1)C(=O)N)NC(C)=O	2414
+c1([N+]([O-])=O)cccc(CCNC(C)=O)c1	68
+c12c(c(c([nH]1)-c3c(C)onc3CC)C(C)=O)cccc2	432
+c1c(ccc(O)c1CC)C(=O)C	94
+c1(c(ccc(N)c1F)[N+]([O-])=O)CCOC(C)=O	204
+c1(cc(ccc1[N+]([O-])=O)OCCOC(C)=O)OC	204
+c1(ccc(cc1[N+]([O-])=O)C)Sc2cc(ccc2)NC(C)=O	26
+c1(ccccc1C(NNC(C)=O)=O)I	1086
+c1(CN(C(=O)C)O)ccccc1Nc2cccc(C)c2C	1080
+c1(nsc2ccc(cc12)NC(C)=O)NCCNC(=O)c3ccccn3	26
+c1(c2c(cccn2)c(Cl)cc1C(=O)C)O	4908
+c12c(ccc(OC)c1)CCC2CCNC(C)=O	68
+c1c2c(sc3c2cc(C(C)=O)cc3)ccc1	94
+CC(c1ccc2c(c3c4c(ccc3[nH]2)C(CC4)=O)c1)=O	94
+CC(n1c2c(c3c1cccc3)cc(I)cc2)=O	9941
+c12cc(O)c(cc1cccc2)NC(=O)C	26
+[nH]1cc(c2cc([N+]([O-])=O)ccc12)C(=O)C	432
+c1c(-c2ccc(cc2C(OC)=O)NC(C)=O)c(ccc1)Br	26
+CC(Nc1n[nH]c(-c2cc(F)ccc2)c1)=O	195
+c1(C#N)[nH]c(C)c(c1C)C(=O)C	432
+c1(c(ccc(-c2c(I)cc(c(C(C)=O)c2I)I)c1)C(=O)O)[N+]([O-])=O	94
+c1c(NC=2C=3C(=O)N(CC=C)N=C(C=3N(C(=O)C=2Cl)C)c4cccc(NC(C)=O)c4)c(F)cc(I)c1	26
+c1cc(cc(OC(C)=O)c1OC)C(=O)O	385
+c1(cc(Cl)c(cc1OC)Br)C(=O)C	94
+c1c(OCCOC(C)=O)c(cc([N+]([O-])=O)c1)OC	204
+c1cc(OCCCCCCCCOC(=O)C)c(c([N+]([O-])=O)c1)C#N	204
+c1cc(c(C)cc1Br)OC(C)=O	385
+C(=O)(C)c1c(c2cc(ccc2s1)Br)C	2940
+c1c(cc2ccc(nc2c1)CNC(C)=O)Br	68
+c1(COC(=O)C)ccc(C=Cc2c3ccccc3sc2)s1	204
+c12cc([N+]([O-])=O)ccc1CCCCN2C(=O)C	192
+C(C)c1c(NC(C)=O)cccc1	26
+c1(C)cc(ccc1F)C(=O)C	94
+c1cc(c(cc1C(CCc2noc(C)n2)=NOC)Cl)Cl	2750
+c1cc(ccc1-c2ccc(c(F)c2)OC)C(=O)C	94
+CC(C)N1C(=O)C=CC(c2sc(NC(C)=O)nc2-c3ccccc3)=N1	290
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5cc(c(Br)cc5c(n4)I)NC(=O)C	26
+c1cc(ccc1C(C)=O)CC(OC(C)=O)C	94
+c1cc(ccc1)CN(CCOC(C2=C(NC(COC(=O)C)=C(C(=O)OCC)C2c3cc([N+](=O)[O-])ccc3)C)=O)C	2580
+c1cc(ccc1)COC(=O)N(Cc2cc(ccc2-c3c(OC)ccc(c3)CC(OCC)=O)NC(C)=O)CC	26
+c1cc(ccc1)Cc2c(NC(C)=O)nc(C=C)c(-c3ccc(cc3C=C)OC)n2	1841
+c1cc(ccc1)-n2c3ccc(cc3nc2C)C(O)=O	9942
+c1ccccc1Oc2c(ccc3c2CCC(C)N3C(C)=O)Br	192
+c1cc(ccc1)Oc2c(NC(=O)C)c(ccc2)CC(=O)OCC	26
+c1cc(ccc1-c2ccc(cc2)Cl)C(=O)C	94
+CC(C)(c1ccc(cc1)C(Nc2nc3n(cc(Cl)cc3)c2)=O)CNC(=O)C	68
+c1cc(ccc1C(C)CNC(C)=O)C#Cc2ccc(cc2)OCCC	68
+c1cc(ccc1CCNC(C)=O)-c2ccc(cc2)C3CCCC3NS(=O)(=O)C(C)C	68
+c1cc(ccc1N(Cc2ccc(cc2)C#CCCCCCCCC)C(=O)C)C=CC(=O)OCC	192
+c1cc(ccc1COC(CCC(C(OCC=C)=O)OC(=O)C)=O)OC	4907
+c1cc(ccc1NC(=O)C)-n2c(cc3c2c(O)c(C#N)c(n3)O)Cl	26
+c1cc(ccc1NC(C)=O)C(=O)c2ccc3c(NC(=O)C3)c2	26
+c1cc(ccc1N2CCc3cc(ccc3C2Cc4ccc(cc4)OCc5ccccc5)OC)NC(=O)C	26
+c1cc(ccc1C=O)N2CCN(C(=O)C)C(C)C2	58
+c1cc(ccc1NC(N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2)=O)NC(C)=O	26
+c1cc(ccc1N(CCOc2c3c(ccc2)cccc3)C(=O)C)C(O)=O	192
+c1cc(ccc1C(=O)OC)Nc2c(cc(C#N)cc2)NC(C)=O	26
+c1cc(ccc1OC(=O)C)OC	385
+c1cc(ccc1OC)SCCNC(=O)C	68
+c1cc(ccc1OCCCN2CCCC2C)-c3sc4CCC(c4n3)NC(C)=O	68
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)-c3nc(on3)C)OCC=C(Cl)Cl)Cl	4261
+c1cc(ccc1-c2c(C#N)c3c(n2CC)cc(cc3)OC)OCCNC(=O)C	68
+c1cc(ccc1OCc2cccc(F)c2)N3C(=O)CC(c4nc(C)on4)C3	4906
+c1cc(ccc1-c2nc(c(c(Cl)c2)C#N)-c3ccc(cc3)Oc4ccccc4)NC(C)=O	26
+c1cc(ccc1SC)Cc2sc(NC(C)=O)nc2C(OCC)=O	290
+c1c(Br)cc2c(c1)N(CC2)C(=O)C	192
+CC(n1c2cc(ccc2c3c1cccc3)C(C)=O)=O	4908
+c1c2c(c3ccccc3c4cccc(C(C)=O)c24)ccc1	94
+c1ccccc1-c2ccc3c(cc(cc3)C(NC(=O)C)c4c(nccn4)Cl)n2	68
+c1ccccc1C(O)CNC(=O)C	68
+c1cc(ccc1)C(c2ccccc2)N(C(=O)C)CCCCCC(=O)OCC	58
+c1ccccc1C(c2ccccc2)OC(=O)C3=C(c4cnc(NC(=O)C)s4)CSC5C(NC(=O)OC(C)(C)C)C(=O)N35	290
+c1ccccc1C2(C)c3ccc(cc3N(C(C)=O)C2)Br	192
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)C(=O)C	94
+c1cc(ccc1)CC(OC(C)=O)C	204
+c1ccccc1COC(NC2c3cc(ccc3N(C(C2C)C4CC4)C(=O)C)Br)=O	192
+c1ccccc1COC(NC2C(C(C)N(c3ccc(Br)cc23)C(C)=O)C)=O	192
+c1ccccc1COc2c([N+]([O-])=O)c(N(CC)C(=O)C)ccc2	192
+c1ccccc1COc2cc3c([nH]cc3C(C)=O)cc2	432
+c1ccccc1Cc2cc(C(NC3COc4ccc(cc4N(C)C3=O)NC(=O)C)=O)no2	26
+c1ccccc1S(=O)(=O)n2c3ccc(OCCNC(=O)C)cc3cc2	68
+c1cc(ccn1)SCCCN(C(C)=O)Cc2ccccn2	58
+c1nc(ncc1C(=O)NOC2CCCCO2)N3CCc4c5ccccc5n(C(=O)C)c4C3	2917
+C(C)(NC1CCCc2c(cncc12)-c3cc4CCC(N(c4cc3)C)=O)=O	68
+C(C)(NC1CCCc2c(Br)cncc12)=O	68
+N1(C(=O)C)Cc2n(CC1)nc([N+]([O-])=O)c2	58
+O=S(=O)(c1ccc(-c2c(nc(NC(C)=O)s2)C)cc1F)C	9943
+C1(n2c(Br)nc3cc(c(F)cc23)F)OCC(C(O)C1O)O	59
+O=C(OCC(COC(=O)C)c1ccc(N)c(c1)C=2CCCCC=2)C	989
+c1ccccc1CS(=O)c2ccc(NC(C)=O)c([N+]([O-])=O)c2	9944
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(OC)cc3)C1=O)N(c4ccc5nc(oc5c4)C)C	9945
+c1c(OC)c2c(c(C(CC)=O)c1)ccc(CC)n2	9946
+c1cc(ccc1)C2CC3CN(C(=O)CC)CC23	2781
+c1cc(ccc1O)C=C(C)C(=O)OC(=O)CC	2897
+c1cc(ccc1C2CC(O)=C(C(=O)CC)C(=O)C2)SC	9947
+CCC(=O)Nc1cc(nc(n1)-c2oc(Br)cc2)-n3nccc3	9948
+C1(CCC(=O)N1OC(CCCCNC(NCCCCC2C3C(CS2)NC(=O)N3)=O)=O)=O	884
+O=C(CNC(c1ccc(c(Cl)c1)Cl)=O)O	946
+c1c(CN2n3cccc3C(O)=C(C(NCC(=O)O)=O)C2=O)cc4c(cccc4)c1	3569
+c1cc(ccc1)-c2c3snc(-c4c(cccc4)F)c3c(O)c(C(=O)NCC(O)=O)n2	1480
+c1cc(ccc1)-c2c3c(-c4nnn(c4)Cc5ccccc5)nc(C(=O)NCC(=O)O)c(O)c3on2	1480
+c1ccccc1CN2c3c(-c4cccnc4)nc(C(NCC(O)=O)=O)c(O)c3C=C(Cc5ccccc5)C2=O	3110
+c1cc(ccc1)Oc2cccc3c(nc(C(NCC(O)=O)=O)c(O)c23)C#N	3110
+c1cc(ccc1C(=O)C)S(=O)(=O)NCC(O)=O	592
+c1ccccc1-c2n(CC(O)=O)c(-c3ccc(cc3)OC)cc2	9949
+c1cc(ccc1Cl)CCC(NCC(O)=O)=O	726
+c1cc(ccc1F)-c2c(c3c(c(C(NCC(O)=O)=O)nc(C)c3n2-c4ccccc4)O)C#N	1480
+c1cc(ccc1Oc2cccc3c2c(nc(c3O)C(=O)NCC(O)=O)C#N)OC	3110
+c1cc(ccc1Oc2ccc3c(c(O)c(C(=O)NCC(O)=O)nc3C#N)c2)OCCC	2977
+c1ccccc1-c2ccc(C3CCC(CC3)CCC)n2CC(=O)O	9950
+c1ccccc1COc2cc3c(C#N)nc(C(=O)NCC(O)=O)c(O)c3cc2	1480
+c1cc(c(NCC(=O)OC)nc1)[N+](=O)[O-]	4905
+c1(Cl)cc(cc(Cl)c1Oc2ccc(cc2)[N+]([O-])=O)C(=O)NCC(=O)OC	259
+c1cc(ccc1)Oc2c3c(ccc2)c(OC)c(C(=O)NCC(=O)OC)nc3C#N	1008
+c1cc(ccc1S(=O)(=O)NCC(=O)OC)OCC2CC2	592
+c1cc2-c3ccccc3C(c2cc1)C(=O)NCC(=O)OC	3314
+c1ccccc1COC(=O)NCCS(=O)(=O)NCC(=O)OC	4038
+c1ccccc1COc2cc(cnc2C(=O)NCC(OC)=O)OCc3ccccc3	1008
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(cc3)O)C1=O)N(c4ccc5nc(oc5c4)C)C	5
+O=C(CNC(c1c(c2c(n(cc2Cl)Cc3ccc(F)c(F)c3)c(n1)C#N)O)=O)O	2156
+O=S(=O)(C)OC1CN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1	7
+N(c1c(O)cc(c(Cl)c1)Cl)CC(O)=O	3
+c1(CC(=O)NO)ccc(-c2ccc(cc2F)F)c(F)c1	3736
+c1ccc2C(=O)N(C(c2c1)=O)CCc3c(Br)cc(c(OC)c3)OC	9951
+c1c(cccc1C#N)C(=O)Cc2ncncc2	9952
+OCC1C(C(C(C(N(CC=C)C(=O)N(N=O)CCCl)O1)O)O)O	2591
+c1cc(ccc1C(=O)Cc2c(Cl)cccc2F)F	832
+c1cc(ccc1)C(Cc2cc(ccc2)C)=O	832
+c1c(-c2c(-c3nnc[nH]3)cn(-c4ccnc(c4)NC(C)=O)c2)c(ccc1)Cl	1153
+c1c(-c2cn(cc2C(N)=O)-c3ccnc(c3)NC(C)=O)c(ccc1)Cl	1153
+O=C(OCC)C(C(=O)OCC)(NC(C)=O)CCc1ccc(cc1)Sc2ccc(cc2)-c3nc(CCC)oc3	4773
+c1cc(ccc1OC)-c2nc(C)oc2	2435
+N(c1ccc2c(cc(cc2)C)n1)C(C)=O	4605
+c1cc(ccc1CNC(C)C(=O)N)OCc2c(F)cccc2	3803
+N#Cc1c(Cl)nc(NC(C(=O)N)C)cn1	2941
+c1(Cl)cc(cc(Cl)c1)COc2cc(Cl)cc(C(=O)NCc3ccc(cc3OCC(N)=O)C#N)c2	2805
+c1cc(ccc1)C2=[N+](c3c(cc(N4CCN(CC4)CC(N)=O)cc3)N5CCN=C25)[O-]	9953
+c1ccccc1C(=O)c2cccc(C(SC)C(=O)N)c2N	9954
+c1cc(ccc1NC(=O)NC)-c2nc(N3CC4CCC(C3)O4)c5c(C(C)(C)OC5)n2	9955
+C(#N)c1cc(c2sccc2c1)O	274
+Cc1cccc(C#N)c1Br	274
+C1C2(O)CC3(CC(CC1C3)(O)C2)Nc4c(C(N)=O)cnn5c4cc(c5)Br	719
+c1cc(ccc1)COC(=O)N2CC(C(C)C2)Nc3c(C(=O)N)cnn4cc(Br)cc34	719
+c1cc(ccc1)COC(=O)N2CC(Nc3c4n(cc(Br)c4)ncc3C(=O)N)C(C2)OC	719
+c1(C=O)cc(c(cc1)Oc2ncc(nc2)C(=O)N)OC	842
+O=S(=O)(C)OCc1ccnc(c1)C(N)=O	7
+O=S(=O)(N)Nc1cccc(c1C#N)OCC2CCCCN2C(NCC)=O	1630
+O=C(N1C(COc2c(c(N)ccc2)C#N)CCCC1)NCC	0
+c1cc(ccc1CCCCNC(=N)NC(=O)c2c(nc(N)c(n2)Cl)N)OCC(=O)Nc3ccccc3	4128
+c12C(NC(=O)c3cnc4c(c3)CC5(c6cccnc6NC5=O)C4)CCC(C(N)c1cccn2)c7c(c(ccc7)F)F	18
+c1cc(N)c(NC(CCCCCCCNC(=O)c2c(C)[nH]c(C=NN=C3c4c(ccc(F)c4)NC3=O)c2C)=O)cc1	33
+c1c(cc(cc1)C(OCCNC(=O)OC)c2cccc(c2)Cl)C(O)=O	6
+C(CCCCC)CCc1cc2c(cc1)-c3ccc(-c4nnc(CCCCCC)s4)cc3C2	9956
+C1(C)CCCCN1c2n3c(nn2)ccc(c3)F	9957
+c1c(C(=O)O)ccc(C)c1NC(=O)c2cc3cc(OC)c(OC)cc3nc2O	1
+O=S(=O)(CCCCC(=O)O)NC	508
+O=S(=O)(CCCOC(C)=O)N1CCC(CC1)Nc2nc(N)c(cn2)C(=O)c3c(ccc(F)c3F)OC	2120
+O=S(=O)(NC(C)=O)c1cccc(-c2cc3c(CCCC3=O)cc2)n1	344
+c1(c([N+]([O-])=O)cc(C)c(c1)C(=O)O)OC	4653
+C1(c2cc(C(=O)O)ccc2OC3=C1CCCC3)=O	9958
+c1cc(ccc1-c2nccc3c(cccc23)CC(O)=O)[N+](=O)[O-]	9959
+O=S(=O)(c1cc2c(ccc(c2)COC(C)=O)s1)N	283
+O=S1(=O)c2ccc(cc2C=Cc3ccc(cc13)C(O)=O)[N+](=O)[O-]	944
+C(c1cc(Br)c(O)c(C(=O)C)c1)C(=O)O	508
+[O-][N+](=O)c1cc2CC(=O)c3cc(ccc3Sc2cc1)C(C)C(O)=O	2567
+Brc1cccc(Br)c1COC(C)=O	283
+n1c2c(c(c(c1O)C#N)Cl)cccc2	9960
+c1(O)c([N+]([O-])=O)cc(C(COC(C)=O)=O)cc1O	1231
+O(CCC1C(c2c(cc(c(c2Cl)Cl)OC)C1)=O)C(=O)C	2120
+c1(c(cc(C)cc1)Nc2c(C(=O)OC)cnc(O)c2)Cl	3111
+c1c(Cl)nn2c(C)nnc2c1C	2489
+c1(Cl)cc(cc(Cl)c1C(c2ccc(cc2)Cl)C(=O)O)N3N=CC(NC3=O)=O	2567
+c1(cc2c(c(ncc2)O)cc1Br)F	3111
+c12cccc(c1ccc(NCc3c(cccc3)OC)n2)-c4nc(C)on4	1289
+c12-c3ccccc3NC(=S)n1nc(COC(=O)C)c2	27
+c12CCC(CC(OC)=O)c1ccc(c2C)C=O	1937
+C12c3c(Cl)nn4c(C)nnc4c3C(C1)CC2	2489
+C(C)N(CC)C(C)CN1CCC2=C(C(Oc3cc(c(Cl)cc23)C)=O)C1	4560
+c1c(-c2cc(COC(C)=O)ccc2)csc1	283
+Clc1cc(cc(Cl)c1Sc2cc(C(C)C)c(O)nn2)N3N=C(C(=O)NC3=O)C(=O)O	9961
+c1c(I)cc(c(Nc2c(cnc(O)c2)C(=O)OCC)c1)F	3111
+c1c(OC)c(c(cc1Nc2nc(nn3c(nc(C)c23)C)-c4cccc(NC(C)=O)c4)OC)OC	33
+c1c(c(ccc1C(COC(C)=O)=O)O)OC	4445
+c1cc(cc(F)c1C#N)C(=O)C	9962
+c1(cc(c2c(c1)c(n[nH]2)-c3cc(F)ccc3)OC)C(=O)O	944
+c1(C(c2cc(C(=O)O)ccc2)=O)c(C)cc(cc1)OCCCCCC	944
+CC(C)N1C(=O)C=CC(=N1)CC(=O)c2ccccc2	9963
+c1ccccc1C2(C(=O)CCCC2)CCC(=O)O	508
+c1cc(ccc1)COC(N2CCC(COC(=O)C)(C2)F)=O	4025
+c1cc(ccc1F)-c2c(Cl)c(C(=O)O)c(c(c2)OC)N	4886
+c1cc(ccc1-c2onc3-c4ccc(cc4CCc23)C(C(=O)O)O)CCC	508
+c1cc(ccc1C(=O)c2cc(CC(=O)O)ccc2)Cl	508
+c1cc(ccc1C(=O)O)C(=O)CNC(OCc2ccccc2)=O	9964
+c1cc(ccc1Cc2cc(Br)ccc2Cl)COC(C)=O	283
+c1cc(ccc1COC2=CC(=O)N(C=C2)c3cc4c(cc3)nc(n4C)C)Cl	953
+c1cc(ccc1Cl)C(=O)c2cccc(C(=O)O)c2C	944
+c1cc(ccc1CNC(C)=O)Cl	9
+c1cc(ccc1Cl)Oc2nnc(O)cc2	3028
+c1cc(ccc1F)-c2c(C=3C=CC(N(C(C)C)N=3)=O)nc(C(=O)N)c(N)n2	9965
+C1CN(CCN1c2ccc(cc2)C(=O)O)Cc3ccccc3	944
+c1cc(ccc1C(=O)O)Nc2ccc(cc2)OC	944
+c1cc(ccc1Nc2ncc(c(n2)O)Br)S(C)=O	9966
+c1(CC(O)=O)cc(ccc1CCc2c(c(ccc2)OC)C)Br	508
+c1cc(ccc1)-c2c(oc3c(c2)ccc3)CC(O)=O	508
+c1ccccc1-c2nc3cc(COC(C)=O)ccc3o2	283
+c1ccccc1-c2nc3c(cccc3s2)COC(=O)C	9967
+c1ccccc1N2C(=O)c3c(c4c(n3C)ccc(c4)Cl)C(=N2)CC(=O)O	508
+o1c(-c2cc(COC(C)=O)ccc2)ccc1Br	283
+c1cc(ccc1C(=O)Nc2nccc(C)c2)-c3nc(C4CCCN4C(C#CC)=O)n5ccnc(N)c35	2976
+c1cc(ccc1-c2c3c(nccn3c(C4N(C(=O)C#CC)CCC4)n2)N)C(=O)Nc5sc6CCCCc6n5	2976
+c1(Cc2ccc(c(c2)OC)OC)nnc(c(O)n1)C(C)NC(=O)C(C(O)C)CCCC=C	9
+c1cc(ccc1I)C(=O)NNC(C(Nc2c(c(Cl)c(cc2)C#N)C)C(O)C)=O	708
+c1cc(ccc1)N(c2ccccc2)c3ccc(cc3)C=Cc4ccc(cc4)C=Cc5ccc(cc5)NC(C(=C)C)=O	4909
+c1cc(ccc1OCC(OCC)OCC)-c2ccc(cc2)OC(C(=C)C)=O	2358
+c1cc(ccc1OCCOC(=O)C(C)=C)C(=O)O	2466
+c1c(F)cc(cc1CC(=O)NC(C(=O)O)C)F	726
+OC(=O)C(N1Cc2ccccc2C1=O)C	9968
+c1cc(ccc1S(=O)(=O)NC(C)C(O)=O)C	592
+c1cc(ccc1F)Oc2cc3cnc(c(O)c3cc2)C(NC(C(=O)O)C)=O	2977
+c1cc(ccc1)COC(C(NC(=O)C(NC(=O)C(C)NC(C)=O)C)CC(C)C)=O	207
+c1ccccc1C(=O)n2c3c(c4ccccc24)CC(CC3)C(=O)O	4036
+c12c(cccc1)NC(=O)C3CC(CN3C2=O)O	9969
+c1ccccc1COC(N2C(CC(O)C2)C(O)=O)=O	2543
+C(CC(OCCOCCO)=O)CCCCCCCCCCCCCCCCCCC	27
+c1cc(OC)cc2C(=O)N(C)CC(Nc12)=O	9970
+c1ccccc1CN2CCC(CC2)N(CC(=O)O)C	9971
+c1cc(ccc1-c2noc(n2)COC)CN(C3C(NCCCC3)=O)S(=O)(=O)c4ccc(cc4)Cl	1289
+c1(cc(ccc1O)Nc2c3c(cccc3OC(CNC(=O)COC)C)ncn2)Cl	9
+c1cc(ccc1)COC(N2CC(C(CC)C2)Nc3c(cnn4c3cc(c4)-c5cnc(cc5)CNC(COC)=O)C(=O)N)=O	9
+n1c(cn(CC(CCc2nnc(s2)NC(Cc3ncccc3)=O)F)n1)C(=O)OCC	373
+CCOc1c2ccccc2c(OCC)c3C(=O)OC(=O)c13	3112
+[O-][N+](c1cc(c(cc1)CO)Sc2ccccc2O)=O	49
+Fc1cc(CO)c(F)cc1Cl	611
+c1cc(ccc1OC)-c2nc3c(nc2-c4ccc(cc4)OC)cc(c(O)c3)C(=O)O	3113
+c1c(I)cc(c(Nc2c(c3c(ocn3)cc2C(=O)O)F)c1)F	235
+c1cc(ccc1)CNC(c2cccc(-c3cccc(C(OC)=O)c3)c2)=O	14
+O=S(=O)(Cl)c1cc(c(O)cc1)C(O)=O	240
+c1cc(ccc1N=Nc2ccc(O)c(C(O)=O)c2)OCCCCCCCCBr	725
+c1ccccc1COC(=O)NC(C(C)NC(c2c(cccc2)O)=O)C	14
+c1ccccc1COC(=O)NCCNC(c2ccccc2O)=O	14
+c1cc(ccc1C(OC)=O)SCCNC(=O)c2oc3c(cccc3)c2	1619
+c1ccccc1COC(NC(C(NCC(NC(c2cc3c(o2)cccc3)=O)C(C)C)=O)C(C)C)=O	1619
+c1(nc2c(s1)cccc2)Oc3ccc4c(cc(CO)o4)c3	2184
+c1cc(ccc1-c2c(NC(OC(C)c3c(cccc3)Cl)=O)ccnc2)O	89
+O=C(OC)C(=COC)c1ccccc1COc2cc(C)c(C=O)cc2C	22
+O=C(OC)C(=COC)c1ccccc1COc2c(C)cc(c(C)c2)C(CC)=NO	189
+O=C(OC)C(=COC)c1ccccc1COc2c(C)cc(c(C)c2)C(CC)=O	155
+O=S(=O)(N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O)C	112
+c1cc(ccc1OCCOc2cc3CCCCc3cc2)CC(C(=O)OC)C(O)=O	4
+O=C(C(=O)c1ccc(SC)c(Cl)c1)OC	3773
+c1cc(ccc1F)CNC(C2=C(O)C(=O)N(C)C(=N2)C(C)(C)NC(C(OC)=O)=O)=O	2499
+c1cc(ccc1[N+]([O-])=O)OC(C)C(=O)OC	9972
+C1(O)CN(C(=O)C(C)N2Cc3ccccc3C2=O)C(C(OC)=O)C1	478
+c1cc(ccc1-c2nc(CSc3c(c(c(c(N(C)CC(=O)OC)n3)C#N)N4CCCCC4)C#N)cs2)Cl	3720
+O=C(OC)N1CC(C(C1)OCC)Nc2c(nc(-c3cc4c(cc3OC)CCC4)c(CC)n2)CC	3901
+c1ccccc1COc2c(C(=O)OC)scc2	3080
+c1c(c(C(=O)OC)c(cc1)C(=O)O)CNC(N)=O	1
+c1(cccc(F)c1Cc2cc(OC)c(c(C(=O)CC(=O)c3nccc(C)c3)c2)OC)F	9973
+C(C)OC(c1cc2cc(OCCOC)cc([N+]([O-])=O)c2[nH]1)=O	9974
+O=C(OCC)C(=NOC)C(CC)=O	4910
+O=C(OCC)C(=NOC)C(CCl)=O	969
+O=C(OCC)C(C(C(Cl)C)=O)=NOC	9975
+O=C(OCC)C(=NOCCC)C(CCl)=O	969
+N(=C(C(=O)O)c1csc(N)n1)OCCC	3
+O=C(OCC)C(=NOCCCC)C(CCl)=O	969
+N(=C(C(=O)O)c1csc(N)n1)OCCCC	3
+o1c(ncc1C)C(OCC)=O	9976
+O=C(OCC)C(=O)NCC(=O)C	86
+c1c2ccccn2c(n1)C(=O)OCC	9977
+C(C)OC(c1n2c(nn1)cncc2)=O	9978
+n1c(c2cc(C)ccc2nc1C(=O)OCC)O	9979
+n1c(c2c(nc1C(=O)OCC)scc2)O	9980
+O=C(C(O)=O)Nc1c2C(CC(c2c(C)cc1)CCC)=O	1581
+c12c(cc(cc1)F)NC(=O)C(N2O)=O	4727
+c1cc(cc2OCC(Nc12)=O)NC(=O)C(O)=O	1581
+C1CCCCC1C(CO)(CO)COC	1257
+c1cc(ccc1Sc2ccc(cc2)CCC(CO)(CO)NC(=O)C)-c3nc(CCC)oc3	1257
+O=C(OCC)C(C(=O)OCC)(c1ccc(cc1)N)C	0
+CC1(C)N2C=C(C(OCC)=O)C(=O)c3cccc(c23)C1	9981
+Cc1c2c(c(cnc2n(-c3ncccc3)n1)C(=O)OCC)O	4911
+C1CN(CCN1c2ncc3c(O)c(cnc3n2)C(OCC)=O)C	9982
+n1(ncc2c(c(cnc12)C(=O)OCC)O)CC	4911
+[N+]([O-])(c1cccc(C(=O)C)c1C)=O	9983
+Fc1c(F)cc(Br)c(C(=O)CC(=O)OCC)c1	4912
+c1cc(C(CC(OCC)=O)=O)c(Cl)cc1I	4912
+C1C(CN1C(=O)OCc2ccccc2)C(C(=O)OCC)C(=O)O	3
+c1cc(ccc1Oc2ccc(cc2)C(CC(C(OCC)=O)(C(OCC)=O)NC(=O)C)=O)CCCC	4913
+c1cc(ccc1C(CC(C(OCC)=O)(C(OCC)=O)NC(=O)C)=O)Sc2ccc(cc2)CCCC	4913
+Ic1c(C)ncc(c1)[N+](=O)[O-]	4914
+CCOC(Cc1ncccc1Cl)=O	2367
+Clc1c(C)ncc(Br)c1	4914
+c1cc(ccc1-c2cc(C=C(C)C(OCC)=O)c(cc2)N3CCCC3C)OCCOCCCC	750
+c1cc(ccc1OCCOCCCC)-c2cc(C=C(C(OCC)=O)C)c3N(C)CCCc3c2	750
+O=C(OCC)C(C)=Cc1ccc(N)cc1F	0
+O=S(=O)(NCCCc1scc(C(OCC)=O)n1)C	4317
+c1(C)nc2n3c(nc(C(=O)OCC)c3)ccc2c(C)c1	4759
+c1(cc(cc(OC)c1OC)-c2scc(C(OCC)=O)n2)OC	1835
+c1(cc2nc(C(=O)OCC)cn2c(C)n1)C	9984
+c1sc(Nc2c(C)cccc2)nc1C(=O)OCC	2377
+c1cc(ccc1OCCCCl)-c2nc(co2)C(=O)OCC	9985
+c1cc(ccc1-c2n(cc(C(=O)OCC)n2)-c3cc(OCC)ccc3)C	9986
+c1cc(ccc1-c2n(cc(C(=O)OCC)n2)-c3cc(OCC)ccc3)F	9987
+c1cc(ccc1N2C(=NC(C(OCC)=O)(C2)O)CN(c3ccc(cc3)F)C)Cl	9988
+c1cc(ccc1-c2nc(cs2)C(=O)OCC)[N+](=O)[O-]	1835
+c1cc(ccc1)COc2cccc(-c3nc(C(OCC)=O)cs3)c2OCc4ccccc4	1835
+n1c2c(cccc2)c([nH]1)C=Cc3c(cccc3)Nc4scc(n4)C(=O)OCC	2377
+C(C)OC(c1cc(n(n1)-c2ccc([N+]([O-])=O)cc2C(=O)O)C)=O	4915
+c1c(cc(c(c1)-n2nc(cc2C)C(=O)OCC)C(=O)O)Br	4915
+c1cc(ccc1-n2nc(C)c3c2nc(C)cc3C(OCC)=O)OC	3740
+c1cc(ccc1Cl)C2N(C(=O)C(O)=C2C(=O)C)c3cc(C)c4nnc(C)n4c3	9989
+C(C)OC(c1cc(-c2ccc(cn2)C)n(-c3ncccc3)n1)=O	4903
+Clc1cccc(c1)-c2onc(c2)C(=O)OCC	1208
+o1nc(cc1-c2cc(F)ccc2)C(=O)OCC	1208
+O=C(OCC)C(=O)NCC(O)C	2499
+O=C(OCC)C(c1cn(C)c(C(Nc2cc(C)c(F)cc2)=O)c1)=O	9990
+c1c(Cl)c(c(cc1C(NNC(C(OCC)=O)=O)=O)Cl)O	9991
+c1c(Br)c(c(cc1-c2noc(n2)C(=O)OCC)Br)O	9992
+Cc1cc(cc(C)c1Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)NC(C(OCC)=O)=O	994
+O=C(OCC)C(=O)Nc1cc2OCC(Nc2cc1)=O	994
+C(C(Oc1cc(ccc1)Oc2ccccc2[N+]([O-])=O)C)(O)=O	3
+c1(C)c(F)ccc(c1)NC(=O)c2n(C)cc(c2)C(=O)C(O)=O	2249
+c1cc(N)c(cc1)CC(=O)OCC	0
+O=C(OCC)Cc1c2cc(C=O)ccc2ccc1Cl	3450
+c1c(CC(O)=O)c(c(Oc2c(F)cccc2)cc1)[N+](=O)[O-]	3
+O=C(OCC)Cc1cccc(c1N)Oc2ccccc2Cl	0
+O=S(=O)(Nc1c(CC(=O)OCC)cccc1Oc2c(cccc2)Cl)C	80
+c1c(CC(OCC)=O)c(-c2ccccc2F)ccc1	11
+Fc1ccccc1CC=O	578
+C1(=O)OC(=O)c2c1c(OC)ccc2	3112
+O=C1CCC(=O)N1OC(=O)c2c(N=[N+]=[N-])c3ccccc3nc2	9993
+O=C(O)c1c(O)c(C(C)=O)ccc1	562
+O=C(c1c(ccc(C)c1)-c2cnn(C)c2)N3CCCC(C)C3CNc4c(C)cccn4	340
+O=C(c1c(ccc(C)c1)-c2cnn(C)c2)N3CCCC(C)C3CNc4ccc(cn4)C#N	70
+c1cnn(n1)-c2c(C(=O)N3CCCC(C)C3CN)cc(F)cc2	9994
+n1ccnn1-c2c(C(N3C(CN)C(CCC3)C)=O)cccc2F	9995
+S(CC#C)c1ccccc1CO	49
+O=S(=O)(c1cc(c2c(c1)OCCO2)C(O)=O)Cl	243
+c1cc(F)ncc1-c2nc3c(c(C(=O)O)c2)cccc3	4835
+Nc1cc2ccc(c(OC)c2c3cc(C)ccc13)OC	9996
+c1cc(ccc1)-n2nc(C(OCC)=O)cc2NC(=O)c3c(Cl)cc(Cl)c(c3)-c4ccccn4	650
+Nc1c(Cl)cc(c2OCOc12)C(=O)O	106
+c1c(C(=O)OC)nc(cc1CCCSC)C(=O)OC	965
+c1c(C(=O)OCC)nc(cc1OCc2ccccc2)C(=O)OCC	22
+C(NCc1ccc(c(Cl)c1)Cl)(c2sc(cc2)C(=O)OCC)=O	1256
+O=C(c1ccc(c(c1O)O)N)O	0
+c1c2c(CCC(C2NC(=O)c3ccc(c(Cl)c3)Cl)OC(=O)C)ccc1N	0
+O=C(c1cccc(OCc2cccc(F)c2)c1C(O)=O)O	1
+C1CC(C)N(C(c2c(-n3nncn3)cccc2)=O)CC1Nc4nccc(C#N)c4	30
+c1cc(ccc1CCCc2ccc(cc2)[N+]([O-])=O)Nc3c(cccc3)C(=O)O	230
+O=S(=O)(Cl)c1ccc(c(c1)C(O)=O)Cl	240
+c1(cc2c(N(C(=O)C2C(=O)c3ccccc3Cl)C(=O)C)cc1)C(C)=O	3071
+Cc1cc(ccc1Nc2ccccc2NC(c3ccccc3Cl)=O)OC	4867
+c1(C(=O)O)ccccc1Sc2c(cccc2)OC	826
+[O-][N+](c1ccc(NC(Nc2ccccc2I)=O)c(O)c1)=O	4291
+C(N1C(=O)c2n(CC=C)c(nc2N(C1=O)CCCC)C(=O)O)CCC	1
+O=C(n1c2c(cc1)c(ccc2)C(c3c4c([nH]c3)ncc(-c5cnccc5)c4)=O)NCCCC	814
+O=C(n1c2cccc(c2cc1)C(O)c3c4c([nH]c3)ncc(-c5cnccc5)c4)NCCCC	1235
+c1c(C2(C(=O)N(c3ccccc23)CCCCC)O)c(cc4OCCc14)O	1115
+c1cc(ccc1)C2(C(=C(C(c3c(c4ccc(cc4[nH]3)C)CNC(C)=O)c5ccccc5)C2=O)O)C	2883
+c1ccccc1C(c2[nH]c3cc(C)ccc3c2CN(C=O)C)C4=C(O)C(C)(c5ccc(cc5)C)C4=O	2883
+N1(C(=O)C=C(C=C1C)OCc2ccc(cc2CNC(OC)=O)F)c3c(C)ccc(C(=O)O)c3	1
+C1(C2C(C(=O)C1c3cc(-c4ccc(cc4)Cl)sc3CC)C5C=CC2O5)=O	9997
+c12ccn(c1CC(c3c(Cl)cccc3)C4C2C(=O)NC4=O)CCOCCOCC	4885
+c1c(cc(c(NC2=C(C(=O)OC)C=CC(=O)N2C)c1)F)Br	9998
+O=C1C=CC=CN1c2ccc(-n3cnc(CNC(c4sc(cc4)Cl)=O)c3)c(F)c2	1444
+C(=O)(CN1C(=O)C=Cc2ccc(C#N)cc12)O	4
+O=C1CC(CC(=O)C1)c2c(cccc2)O	5
+c1ccccc1CN(C2CC3C(CNC(=O)C3)C2)C	85
+C1(=O)CCC(=O)N1Cc2ccc3c(cc(C(=O)OC)nc3c2F)-c4ccc(cc4)F	9999
+O=Cc1cc(Cl)c(OC)cc1O	196
+O=S(=O)(N)c1c(N)ccc(c1)Cl	196
+O=S(=O)(Nc1cccc(c1C)OC=2C(=C(Nc3ccc(cc3F)I)N(C)C(=O)C=2Cl)C(N)=O)CC	4837
+C1CC(CCN1c2c(Cl)nc(cn2)Cl)N3CCC(Nc4c(cc(S(=O)(=O)C)cc4)F)C3=O	10000
+c1cc(ccc1-c2n(-c3ccc(cc3)S(=O)(=O)C)cnc2Cl)F	844
+OC(CCl)CC(=O)OC	10001
+c12c(c(C)cc([N+]([O-])=O)c1)ncc(Cl)c2	395
+c1c2c(c([nH]c2ccc1)-c3c(ccc(n3)Cl)O)Cl	573
+CCOC(c1cc(Cl)c(C)[nH]1)=O	573
+c1(C(=O)OC)c(c(Cl)[nH]c1)-c2cc(ccc2)C#N	2148
+ClC(c1cc(C)c(cc1)[N+]([O-])=O)=NO	761
+c1(C=O)cc2c(Cl)n[nH]c2cc1	2209
+Clc1cnc2ccc(C=O)cc2c1	395
+c1(Cl)cc(c(N)c(c1Cl)C)C(=O)O	196
+[N+]([O-])(c1cc(Cl)c(NCc2ncccc2)nc1)=O	395
+Clc1cc(OC)c(N)c([N+]([O-])=O)c1	196
+c1(c(cn(-c2c(Cl)cccc2)n1)Cl)N	697
+Nc1c2OCCCc2c(Cl)cc1F	196
+c1(Cl)cc(c(Br)s1)CO	2172
+c1(c2c(cccn2)c(Br)cc1Cl)O	3373
+c1c(cc(c(Cl)c1)N2C(CC(C)C2)C(NCC#N)=O)Br	196
+c1(cc(C#N)c(O)c(Cl)c1)-c2cc(ccn2)C(=O)OC	196
+c1(cc(-c2c(cc(c(c2C)Cl)O)C)ccc1)C=O	196
+c1c(C)c(c(cc1C(C)=O)C)Oc2c3[nH]cc(Cl)c3nc(Nc4ccc(cc4)C#N)n2	10002
+c1c(F)c(c(cc1F)F)-c2c(C)nnc(-c3ccccc3F)c2-c4cc(OC)cc(OC)c4Cl	196
+c1(Cl)cc([N+]([O-])=O)c(N)c(c1F)F	196
+O(c1ncc(Cl)c(C)c1Br)C	395
+C1(c2c(cccc2)-n3cnc(Cl)c3C4CCN14)=O	844
+O1CCOc2c1c(N)c(Cl)cc2C(=O)OCC	196
+c1(Cl)c(F)ccc2cnccc12	196
+c1cc2c(Cl)cnc(O)c2cc1	395
+Clc1ccccc1-n2c(Cl)nc3c2C(N(C(=O)N3C)C)=O	1950
+C(C=O)(Cl)Cc1ccc2c(c1)nccn2	4916
+c1(Br)c(Cl)ccc(n1)N	395
+Clc1cccc(Cl)c1CCC(=NO)Cl	1964
+c1c(N)ccc(Cl)c1CC	196
+c1c(c(-c2n(C)ncc2Cl)cc([N+]([O-])=O)c1)OC	697
+n1cc(Cl)n2cc(ccc12)CO	2772
+Cc1nc(ccc1Cl)N	395
+c1cc(-c2[nH]c(c(C(N)=O)c2Cl)NC(N)=O)cc3c1cccc3	573
+c1ccccc1-c2cc(c3[nH]c(C(NCc4cccs4)=O)c(Cl)c3c2)Cl	573
+c1cc(ccc1)C(=O)c2c(sc(Cl)c2)N	2172
+c1cc(ccc1)C2CCN(CC2)C=3C=CN(CCCC)C(=O)C=3Cl	10003
+c1cc(ccc1F)-c2n[nH]c(SC)c2Cl	697
+c1cc(ccc1S(=O)(=O)Nc2c(Cl)c(C)no2)-c3ccc(cc3)C	10004
+c1cc(ccc1C(Cl)=NO)C	761
+c1cc(ccc1C2(CC2)C(=O)OCC)-c3ccc(cc3)-c4c(cc(Cl)s4)C(=O)N	2172
+C(OCC)(Cc1ccc(N)c(Cl)c1)=O	196
+c1cc(ccc1)OCc2c(Cl)c3CN(CCn3n2)C(c4ccc(cc4)F)=O	697
+c1cc(ccc1F)C(=NO)Cl	761
+c1cc(ccc1C(=O)N2Cc3n(-c4c2cccc4)c(Cl)cc3)NC(c5c(cccc5)C)=O	2148
+c1cc(ccc1CC(C=O)Cl)OC	4916
+c1cc(ccc1CCl)OCc2ccc3ccccc3n2	2845
+c1cc(ccc1Oc2c(ccc(F)c2)Br)C(Cl)=NO	761
+Clc1cc(C(Nc2ccc(Br)cn2)=O)c(c(c1)O)N	196
+[nH]1cc(Cl)c2c([N+]([O-])=O)cccc12	573
+Clc1cc2C(=O)C(N3CCC(c(c23)c1)C(OC)=O)=O	196
+c12n3CCC(N(C(N)=O)O)c3c(Cl)c1cccc2	573
+c1cc(ccc1)-n2c(c(c(-c3cccnc3)n2)Cl)NC(=O)NC4CN(CC4c5cc(F)c(cc5)F)CCOC	697
+c1cc(ccc1)CC(NC2=NC=C(N(CC(OCC)=O)C2=O)Cl)CN=[N+]=[N-]	10005
+c1ccccc1CC(Cl)=NO	1964
+c1ccccc1S(=O)(=O)n2c3ccc(cc3c(Cl)c2)OCCNC(=O)C	573
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3cc4c(cc3)c(n[nH]4)Cl	2209
+c1cccn2c1nc(CCl)c2Cl	2772
+[nH]1c(-c2cnco2)c(c3c1cc(Br)nc3)Cl	10006
+O=S(=O)(c1cc(ccc1N)I)N	235
+c1(Cl)cc(c(O)c(c1Cl)I)C(=O)C	235
+c1c(I)cc(c(F)c1)[N+]([O-])=O	235
+[nH]1cc(I)c2c(Cl)nc(Cl)nc12	1996
+Ic1c2c([nH]c1)nccc2[N+](=O)[O-]	1361
+Ic1n[nH]c2c1cnc(C)n2	4917
+O(C)c1c(OC)ccc(-c2sc3ncc(I)n3n2)c1	4918
+O1COc2c1cc(c(I)c2)Cc3[nH]c4nc(F)nc(N)c4n3	235
+Clc1c(O)c(I)cc(c1)C(=O)OC	235
+c1(Cl)nc(CCCC)nc2c(c[nH]c12)I	3114
+c1(F)c(cc(I)c(N)c1)Br	235
+n1[nH]c(c2cc([N+]([O-])=O)ccc12)I	2866
+Nc1c(C#N)c(C)c(I)cn1	583
+c1c(cc(C)c(Nc2c(F)c3c([nH]cn3)cc2C(=O)OC)c1)I	235
+O(C)c1c(c(I)c(c(c1N)C(=O)O)C)F	235
+c1(cc(-c2cnc3[nH]cc(I)c3c2)ccc1)C=O	1361
+c1c(F)c(c(cc1)F)-c2ccc3[nH]cc(I)c3n2	3114
+Clc1ccc(F)c(c1C(C)Oc2cc(I)cnc2N)Cl	583
+c1(ncccc1)-c2c(I)c[nH]n2	1160
+Ic1nn(C)c2c1c(ncn2)O	4917
+c1(cc(Cl)c(cc1I)-c2ccccc2F)O	235
+c1c(-c2cncc(c2C(=O)OC)Nc3ccc(I)cc3F)c(ccc1)Cl	235
+c1(I)c(C#N)c(Cl)cc(c1O)C(=O)C	235
+c1cccc(-c2nn3c(nccc3Cl)c2I)c1Cl	1390
+c12c(OCO1)cc(c(c2F)I)F	235
+c1(c(I)ccc(n1)N)N	583
+c1(c(F)c(Cl)cc(c1O)C(=O)C)I	235
+C(c1cc(cc(I)c1O)F)(=O)OC	235
+c1c(ccc(c1F)Cc2cc(c(nc2)O)I)F	583
+n1[nH]c(c2cc(c([N+]([O-])=O)cc12)Br)I	2866
+c1cc(cc(F)c1F)-c2n3c(nc(Cl)c2)c(c(C)n3)I	1390
+c1ccccc1-c2nc(N)ncc2I	1154
+c1cc(ccc1)-c2nnc3c(c([nH]n3)I)c2Cl	4744
+c1ccccc1CON2c3c(C(=C(I)C2=O)OCc4ccccc4)cncn3	10007
+c1cc(ccc1-c2cc(c(cc2)O)I)C#N	235
+c1cc(ccc1-c2ccc3c(c(nnc3c2)I)O)S(=O)(=O)C	10008
+c1cc(ccc1-c2ccn3c(cnc3c2)I)F	3115
+c1cc(ccc1F)-c2c(I)n3cccc(Cl)c3n2	3115
+c1cc(ccc1-c2c(n(c(-c3ccccn3)n2)C)I)C(OC)=O	10009
+c1c(cc(c(N)c1)C#N)I	235
+c12cc(I)ccc1[nH]c3c2cccc3	235
+c1cc(ccc1I)C2C(OC(=O)C)CCCC2	235
+c1ccccc1COC(Nc2cc(I)cnc2O)=O	583
+c1ccccc1COC(=O)N2CCC34C(CCCC3)C2Cc5cc(c(cc45)O)I	235
+c1ccccc1COCc2c(c(ncn2)O)I	1154
+n1c2n(ncc(-c3cc(ccc3)C(=O)OC)c2)c(I)c1	3079
+n1c(Br)sc2n1c(I)cn2	4918
+n1c2n(nc(cc2)Br)c(I)c1	3079
+c1c(C(=O)OC)c(c(c2n1c(I)cn2)F)Nc3c(F)cc(C)cc3	3115
+Nc1ncc(cc1I)C(=O)OC	583
+Cc1n(-c2ncccc2)ncc1I	1160
+c1c(ccc(-c2nc3sccn3c2I)c1F)F	10010
+c1(c2c(ncc1)c(I)c[nH]2)C	3114
+O=C1CCC(=O)N1OC(=O)CCc2cc(C=Nc3c(O)cccc3)c(cc2)O	884
+c12-c3ccccc3C(c1cccc2)COC(NC(C(=O)ON4C(CCC4=O)=O)C(C)C)=O	884
+O=C1CCC(=O)N1OC(=O)c2c(cc(cc2)Br)Cl	10011
+C1CC(CCC1C(NCc2c(O)nc(nn2)N)=O)C(=O)OC	1280
+c1ccccc1COC(=O)N(C)Cc2[nH]c3ccccc3c2	613
+O=C1CCC(=O)N1OC(=O)c2c(OCCCN=[N+]=[N-])ccc(c2)C(=O)C	4919
+O=C1CCC(=O)N1OC(c2c(ccc(C(=O)C)c2)OCC#C)=O	4919
+C(N1CCC(C(C1)N(c2c3c([nH]cc3)ncc2)C)C)(CC#N)=O	10012
+c1cc(ccc1)CN2CC(NC(=O)ON3C(=O)CCC3=O)CCCC2	2834
+C(C(O)CCC1CCC(=O)N1)c2cccc(F)c2	100
+c1ccccc1C(N2C(OCCCCCC)CCC2=O)=O	3417
+C1(=CC(CCC1)=O)Nc2cccc(OC)c2	4407
+[nH]1c2ccccc2c3c1CCCC3=O	4920
+Clc1cc2c3C(CCCc3[nH]c2cc1)=O	4920
+c1(ccc(N)c(F)c1)N2CCCCC2=O	883
+c1ccccc1CSc2cc(F)cc(c2OC)N3C(=O)CCCC3	654
+c1ccccc1COc2c(cc3C(CCc3c2)=O)O	22
+O=C1CN(C(=O)c2cc(c(Oc3c(O)cc(CC)c(c3)F)cc2)F)CCN1C	5
+c1cc(ccc1-c2cc(C#N)nc3c2ccc(CN4C(CN(C)C4=O)=O)c3)F	10013
+c1cc(ccc1)CSc2cc(Nc3cc(Cl)ccc3)nc4c(cnn24)C=C5NC(=O)NC5=O	2021
+c1cc(ccc1)C(c2ccccc2)C3CCN(CC3)C(=O)COCC(=O)O	319
+O=S(=O)(C)OCc1c(non1)C=2N(c3ccc(c(c3)Cl)F)C(ON=2)=O	7
+O=C1c2cc(N)ccc2N=C(CF)N1c3ccc(cc3C)C	0
+c1c2N(C(=O)N(C(c2n[nH]1)=O)C)CCCC	10014
+c1cc(ccc1)COc2cccc(Oc3c(N)cc4c(N(C(=O)N4C)C)c3)c2	304
+n1(ncc(C=2c3cc(OC)c(OC)cc3C(=O)N(CC)C=2)c1)Cc4c(cccc4)F	309
+c1cnccc1-c2ncnc(N=C=S)c2	3116
+c1cc(ccc1)Oc2cc(ncn2)N=C=S	3116
+c1(ccc(Cl)c(Cl)n1)N=C=S	3116
+O=C1N(CCO1)c2ccc(N)cc2Cl	0
+c1cc(ccc1Cl)C(O)c2c(Oc3cncc(c3)Cl)cnc4N(C(=O)N(CCCOC5CCCCO5)C(=O)c24)C	10015
+O=C1N(c2cc(OC)ccc2C(C)=C1)CCN3CC(C(=O)O)N(CC3)CCc4ccc5c(c4)OCCO5	3
+O=C1c2c(cccc2)N=C(C=Cc3cccc(c3O)OC)N1c4ccc(c(c4)Cl)Cl	2066
+c1(cccc(Cl)c1C(=O)N2C(=O)N(c3ccc(c(c3)F)F)OC2=O)Cl	10016
+N1C(=O)C2(C(NC1=O)=O)Cc3cc(c(c(F)c3N4CC(C)OC(C)C24)F)C=O	39
+n1c(ccnc1SC)C=C2SC(NC2=O)=O	10017
+O=S(=O)(N)N1CCN(CC1)c2c3c(cnc2)cc(C=C4C(=O)NC(=O)S4)o3	2025
+c1(C)cc(cc(C)c1)C=C(C(O)=O)c2ccc(cc2)Oc3ccc(cc3)C=C4SC(=O)NC4=O	377
+c1c(cccc1-n2c(ncc2)C)Nc3ccn4c(n3)c(cn4)C=C5SC(NC5=O)=O	3768
+c1cc(ccc1)-c2ncnc3ccc(C=C4C(=O)NC(=O)S4)cc23	377
+c1cc(ccc1)CN2C(=O)c3ccccc3-c4cc(C=C5C(=O)NC(=O)S5)ccc24	377
+c1cc(ccc1)Cn2c3c(c(ccc3)C=C4C(NC(=O)S4)=O)cc2	377
+c1cc(ccc1)N(Cc2ccc3c(ncc(C=C4C(=O)NC(=O)S4)c3)c2)C	4921
+c1cc(ccc1-c2cc(CN(C(c3ccccc3)=O)C)ccc2)C=C4SC(=O)NC4=O	377
+c1cc(ccc1C=C2SC(=O)NC2=O)-c3cccc(C(OCC)=O)c3	377
+c1cc(ccc1C=C2SC(=O)NC2=O)OCC(Cl)c3ncc(cc3)CC	377
+c1cc(ccc1C=C2C(NC(=O)S2)=O)OCCN(c3nc4ccccc4s3)C	377
+c1cc(ccc1OC)-c2cc(Oc3ccc(cc3)C=C4C(NC(=O)S4)=O)ccc2	377
+c1cc(ccc1OCCCC(O)=O)C=C2SC(=O)NC2=O	377
+c1cc(ccc1OCCN(c2ncccn2)C)C=C3SC(=O)NC3=O	377
+c1cc(ccc1C=C2SC(=O)NC2=O)OCCc3ccc(cc3)C#N	377
+c1cc(ccc1OCCc2ccc(cn2)C(C)OCOC)C=C3C(NC(=O)S3)=O	377
+c1ccccc1C(=O)N(C)CCOc2ccc(cc2)C=C3SC(=O)NC3=O	377
+c1cc(ccc1C=C2SC(=O)NC2=O)SCCc3ccccc3	377
+c1ccccc1CN2c3c(CCC2=O)c(ccc3O)C=C4C(NC(=O)S4)=O	377
+c1ccccc1COc2cc(ccc2O)-c3ncc(cc3)C=C4SC(=O)NC4=O	4921
+c1cnccc1-c2ccnc3ccc(C=C4C(=O)NC(=O)S4)cc23	377
+c1cc(ccc1F)NC2=CC(NCC2)=O	10018
+N1c2c(cccc2F)NCCC1=S	199
+O=Cc1ccc2c(NC(=O)CS2)n1	178
+c1c(c2c(c3ccccc13)c(O)ccn2)OCCC	2197
+O=C1OC(C)(C)OC(=O)C1=CNc2cc3c(cc2OCCC)cccc3	10019
+CC1(C)OC(=O)C(C(=O)O1)C(c2c[nH]c3c(cccc23)CSC)c4ccc5sccc5c4	4922
+c1cc(ccc1C(c2c3cccc(CSCC)c3[nH]c2)C4C(=O)OC(C)(C)OC4=O)Cl	4922
+c1cc(ccc1Cl)C(c2cc(c(cc2)NC(=O)CC(O)=O)Br)=O	4923
+O(C)c1c(NC(=O)CC(=O)O)cccc1	4923
+c1cccc(N)c1C(NCCc2ncc[nH]2)=O	1338
+C=1N(C(c2c(cccc2)N=1)=O)c3c(c(ccc3)-c4cnc(c5[nH]c6c(ccc(OCCOC)c6)c45)C(N)=O)C	10020
+c1cc(ccc1NC(c2ccccc2N)=O)CC(=O)OCC	1768
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CN(C)C(c4c(N)cccc4)=O	10021
+O=C1OCCc2c(ccc(N)c2)N1C	0
+O=C1OCc2cc(ccc12)-c3ccc(OCC)c(OC)c3O	241
+c1(cc2c(cc1)N(C(=O)O2)CC=C)C=O	10022
+O=C1c2c(C(=O)N1C(c3c(Cl)nc4c(ccs4)c3)C)cccc2	2669
+c1ccc2c(c1)C(=O)N(C2=O)C3Cc4c5c(ccc(c5)C#N)[nH]c4C3	518
+c1cc(ccc1)COCCC(F)(F)CN	45
+C1COCCC1(CN)F	45
+O=C(c1c(ccc(C)c1)-c2cnn(C)c2)N3CCCC(C3CN)C	45
+C(CC#Cc1cccc(CF)n1)N	45
+C1CN(CCC1)c2c3NCCN(CCN)c3nc(n2)C#N	45
+c1(cc(Oc2cc(c(cc2I)Cl)Cl)ncc1)OCCN	45
+c12c(cccc1)ccc(OCCN)c2	45
+c1cc(cc2c1Sc3c(nccn3)N2COC)CN	45
+c1(cccc2cnccc12)OCC(C)N	45
+n1c(c(cc2ccsc12)C(C)N)-c3ncccc3	45
+O=C1c2c(cccc2)C(=O)N1C(c3ccc(cc3)-c4c(O)nccc4)C	104
+C1CN(CCN1CCCN)Cc2ccccc2	45
+O=S(=O)(c1ccc(c(O)c1)N2C(=O)c3c(C2=O)cccc3)N(C)C	668
+O=C1c2ccccc2C(=O)N1Cc3ccc(SC)cc3F	672
+C1(=O)c2ccccc2C(=O)N1Cc3sccc3	672
+O=C1c2c(cccc2)C(=O)N1c3cc(cc(F)c3)Oc4cccnc4	668
+C1(=O)c2c(C(=O)N1c3cc(c(c(O)c3)C)C(O)=O)cccc2	668
+c1c2c(ccc1)n(CC)c(C)c2C(=O)c3c(C(O)=O)cccc3	10023
+O=C1c2ccccc2C(=O)N1c3ccc(C=CC(N(C)Cc4n(C)c5c(c4)cccc5)=O)cn3	1765
+c1ccc2C(=O)N(C(=O)c2c1)c3ccccc3[N+]([O-])=O	668
+c1ccccc1C(CO)N2C(c3c(C2=O)cccc3)=O	672
+c1cc(ccc1-c2c(c(sc2)N3C(c4c(C3=O)cccc4)=O)C(=O)OCC)CC	10024
+c1cc(ccc1C(C)N2C(c3c(C2=O)cccc3)=O)Br	672
+c12c(cccc1)C(=O)N(C2=O)CCCCc3ccc(cc3)O	672
+c1ccc2CC(Cc2c1)N3C(c4c(C3=O)cccc4)=O	672
+c1ccc2C(=O)N(C(=O)c2c1)c3cc(-c4ccccc4)n[nH]3	1765
+c1cc(ccc1C(c2ccccc2C(=O)O)=O)C(C)C	1943
+c1ccc2c(c1)C(=O)N(C2=O)CCc3cc4c5c(nc(CCOC)n5CCCN6C(CCC6)=O)cnc4cc3	4924
+c12c(cccc1)C(=O)N(C2=O)CCCCC(O)c3ccccc3	74
+c1ccnc2c1CCCC2N(CCCCN)Cc3n(c4ccccc4n3)C	45
+c12c(cccc1)C(=O)N(C2=O)CCCNc3ccc(cc3F)C4=CC(=O)c5c(O4)c(F)cc(c5N)F	621
+c1cc(ccc1)C(CC)NC(c2c(OCCN)c(-c3ccccc3)nc4c2cccc4)=O	45
+c1cc(ccc1-c2c(-c3c(cccc3)Cl)nc(c(c2)C#N)OCCN)Cl	45
+S(CCN)Cc1oc(cc1)CO	45
+c1c(C(OCC)=O)c2cc(OC)cc(OC)c2c(CN)n1	45
+c1(Cl)cccc(Cl)c1-c2nc3c(c(ncc3)Nc4ncnc(c4)CN5C(=O)c6ccccc6C5=O)s2	4925
+CN(C)CCc1nnc2n1-c3ccc(F)cc3C(c4c(cccc4)Cl)=NC2	4926
+O=C1c2ccccc2C(=O)N1OCCN=[N+]=[N-]	558
+c12c(C(=O)N(C1=O)c3cc([N+]([O-])=O)c(cc3F)Cl)cccc2	31
+c1(cc(nn1Cc2ccccc2OC)N)C	1131
+C1(C)c2ccc([N+]([O-])=O)cc2C(=O)C1	31
+C(Nc1cc(F)ccc1)(Nc2cc(Cl)c(cc2)C=O)=O	124
+c1(cc(c(Cl)cc1F)C(=O)O)C	595
+Clc1c(cc(c(c1)F)C(=O)O)OCC=C	595
+c1(Cl)cc(cc(Cl)c1C(=O)O)SC	634
+c1(c(c2[nH]ccc2cc1Cl)C(=O)O)F	10025
+Cc1cc(cc(C)c1C(O)=O)OCC2CN(C)c3ccccc3O2	595
+c1c(CO)c2n(C)c(cc2cc1)C(=O)O	10026
+C(c1cc(C)c(cc1)C#N)(=O)O	595
+n1[nH]c2ccc(C(=O)O)cc2c1CCC	595
+o1c2c(cc(C(=O)O)cc2)c(c1CO)C	595
+c12ccccc1-c3ccc(C)cc3C2C(O)=O	10027
+c1c(oc2c1cc(C(=O)O)cc2)CC	595
+c1cc(ccc1)-c2ccc(cc2Cl)C(=O)O	595
+c1ccccc1Oc2cccc(Oc3ccccc3)c2C(O)=O	634
+c1cc(ccc1C(=O)O)SCCCCCCCCCC	595
+c1cc(ccc1)-c2c(C(O)=O)c3CCOc3cc2	10028
+c1cc(ccc1)COc2c(c(c(cc2)C(=O)O)F)F	634
+c1c2c(csc2ccc1)C(C(O)=O)Nc3cccc(F)c3	10029
+COc1c(F)ccc(C(Nc2cccc(c2)C(=O)N)C(=O)O)c1	4927
+C(O)(=O)C(Nc1cccc(C(=O)N)c1)c2ccc(c(CC)c2)CCOC(Nc3cccc(C#N)c3)=O	4927
+c1c2c(ccc1OC)cc(Br)cn2	10030
+c1cc(c(c(F)c1OCC)F)C=2[Se]C(=CC=2)C=CC	4928
+c1(cc(F)ccc1)C2=C(N=C3N(C(=CC=C3)C)C2=O)C(C)O	10031
+c1c2n(ccc1)ccn2	1935
+c1c(cc(c(Nc2c(C(=O)OC)cn3c(c2Cl)ncc3)c1)Cl)Br	4363
+c1ccccc1-n2ccnc2-c3cc(ccc3)OC	10032
+c1cc(ccc1-c2c[nH]c(n2)C3N(C(C(C(C)C)Nc4sccn4)=O)CCC3)Br	3030
+c1cc(ccc1CCc2sccn2)[N+]([O-])=O	10033
+c1n2c(nc1)cc(-c3cc(ccc3)C(=O)OC)cn2	3117
+c1ncncc1-c2c(-c3ccc(cc3)NCCCl)[nH]c4ncc(Cl)cc24	291
+c1c2n3c(c4cc(ccc4c2ccc1)OC)ncc3	10034
+c12nccn1cc(C#N)cc2	1935
+n1c2cc3c(cc2oc1C)CCN(CC3)CCCl	61
+c1n2c(nc1)cc(C)c(Cl)n2	3117
+c1n2c(nc1)ccc(F)n2	3117
+C(CNc1cccc2cccnc12)O	839
+c1ccccc1NCCO	291
+c12c(cncc1)[nH]c3c2c(ncn3)O	3364
+c12c(ncnc1nc(C)cc2)O	10035
+n1c2c3ccccc3oc2c(nc1)O	10036
+c1c(cc2c(ncnc2c1)O)Br	1116
+c1cc(ccc1Br)-c2ncoc2	10037
+c1cc(ccc1F)-c2c(c3c(c(c2)OC)ncnc3O)Cl	1116
+c1cc(ccc1-c2cc3c([nH]2)ncnc3O)[N+](=O)[O-]	10038
+C(C)OC(=O)c1ccnc(c1)C(=O)N	10039
+c1cc(ccn1)OCCOc2c(cc3c(ncnc3c2)O)OC	4929
+c1c2c(c(N)ncn2)ccc1	10040
+c1ccccc1CN2C3(CC3)CN(CC2)c4cc5c(cccc5)c(c4)CC(=O)N	2125
+c1ccccc1COc2c(OC)cc3ncnc(O)c3c2	4870
+n1(-c2ccc3c(c(ncn3)O)c2)ccnc1	4929
+n1sc2c(c1-c3cc(C)ccc3)ncnc2O	10041
+O=Cc1c(cncc1C)F	10042
+c1ncncc1CC(C(OC)=O)C=O	10043
+n1c(cncc1)C(c2c(Br)c(C)ccc2)O	10044
+O=Cc1cc(c(C)cc1-c2ccc(c(F)c2F)F)OCC	11
+C(O)c1c(Br)cccc1Cl	41
+c1ccccc1CCCC(c2sccc2Br)O	10045
+c1cc(ccc1-c2ccsc2C=O)Cl	1074
+c1(cccc(C)c1Nc2c(-c3c(C(O)=O)cccc3)nc4ccc(cn24)F)C	1891
+C=Cc1c2ccccc2[nH]c1C(NC)=O	10046
+c1cc(ccc1C(C)C)C(O)c2c(C)cc(C)cc2O	257
+Cc1c(OC)cc(C)c(C(C)O)c1	449
+c1cc(ccc1N=Cc2c(C)ccc(F)c2)C(OCC)=O	457
+c1c(cc(CC(c2c(Cl)cccc2F)O)c(c1)[N+]([O-])=O)Br	10047
+Clc1c(C=C)c(F)ccc1	4930
+n1c(c(cc2c(Cl)cccc12)C=O)-c3cc(ccc3)F	691
+c1(F)c(I)cccc1C=NO	135
+Clc1ccc(C=NO)c(F)c1C(=O)OC	135
+c1(c(F)c(F)c(C=O)cc1)Oc2ncc(C#N)cc2	136
+c1(Cl)c(CO)c(F)cc(C)c1	41
+N#Cc1cc(c(cc1F)CO)F	41
+c1cc(cc(c1)-c2ccc(F)c(c2)CNc3c(c(OC)ccc3F)C#N)F	208
+O=S(=O)(F)c1cc(ccc1)N=Nc2cc(c(O)c(Cl)c2)C=O	725
+Oc1c(C=O)ccc([N+]([O-])=O)c1O	5
+c1cc(ccc1-c2ccc(c(O)c2F)C=O)F	11
+c1cc([N+]([O-])=O)cc(-c2c(c(cc(C(CC(O)=O)C(=O)O)c2)-c3nc4c([nH]3)ccc(C(=N)N)c4)O)c1	622
+O=C(c1cc2c(CCC3C4CCC(=O)C4(CCC23)C)cc1OC(=O)C)O	1182
+c1(c(CO)cc(cc1Br)Br)OC	41
+COc1c(C(C)O)cc(cc1C)F	449
+c1c(c(OC)c(OC)cc1)C=COC	1417
+O=Cc1c(OC)c(Oc2cc(ccc2C#N)OC)ccc1	46
+O=Cc1c(F)ccc(O)c1O	5
+c1(OC)c2c(ccc1C(=O)O)CCC2	1775
+Fc1cc(C)c(OC)cc1C	3072
+[N-]=[N+]=NCCCOc1cc(OC)c(cc1)C=O	267
+C(O)c1cc2c(cc1OC)ncnc2Nc3cccc(Cl)c3F	41
+c1cc(ccc1OCCOCCCC)-c2ccc3N(CCC(=Cc3c2)C(=O)OC)Cc4c(OC)ccc(OC)c4	3043
+c12c(Br)cccc1cc(C(=O)OC)s2	1425
+c12cc(ccc1NC(=O)C2=Cc3c(c(C(=O)O)c(C)[nH]3)C)F	292
+c1(c(cccc1C)C#N)Cl	1421
+c1cnccc1-c2cccc3c2C(C(=O)N3)=Cc4c(C)c(CCC(O)=O)c(C)[nH]4	292
+c1(C(=O)O)sc2c(Cl)cccc2c1	4931
+c1(c(ccc(Cl)c1Cl)[N+]([O-])=O)C=O	31
+[N-]=[N+]=Nc1c(cncc1Cl)C=O	1756
+[N+]([O-])(=O)C=Cc1c(c(F)ccc1)C	417
+O=Cc1c(c(F)cc([N+]([O-])=O)c1)F	31
+c1(NC(C)=O)c(F)c(CO)c(Cl)cc1	41
+O(C)c1c(ccc(C=O)c1[N+](=O)[O-])OC	297
+c1ccccc1COc2c(OC)c([N+]([O-])=O)c(C=O)cc2	22
+c1(c(c(C)ccc1C=NO)I)F	135
+Nc1c(F)cc(C(C)O)c(c1Br)F	4932
+COc1c([N+]([O-])=O)cc(c(O)c1OC)C=O	77
+COc1cccc(c1C)C=C[N+]([O-])=O	417
+COc1cccc(C=C(S(=O)C)SC)c1Cl	10048
+COc1cccc(C=NO)c1F	135
+c1(O)c(Br)cc(c(C)c1C=O)[N+](=O)[O-]	77
+Clc1ccc(Br)c(F)c1C#N	4933
+N#Cc1c(c(C#N)c(F)cc1)Cl	1421
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3ccc(-c4ccc(c(OCCCC)c4)C=O)c(c3)C	951
+c1c(OC)c(CC=C)c(O)c(c1)C=O	423
+COc1cc([N+]([O-])=O)ccc1-c2cnco2	2288
+c1(cc(-c2cc3ccccc3s2)c(cc1OC)OC)C=O	2187
+c1cc(ccc1)COc2cc(Oc3ccc(C=O)c(c3)Br)ccc2	46
+O=Cc1c2c(cccc2)ccc1CC	1393
+C(O)c1c(ccc2ncccc12)[N+]([O-])=O	41
+c1cc(nc(F)c1)NCc2c(Cl)cccc2	811
+C1C(=O)C(c2ccccc2Cl)C1	10049
+c12c(CN(Cc3ccccc3Cl)C1)c(Nc4cc5c(nc4)cccc5)ncn2	48
+Cc1c(c(ccc1)Nc2ccccc2C=NO)C	135
+c1cc(ccn1)-c2c3c([nH]n2)ccc(-c4nn(C)c(n4)C5CN(Cc6c(F)cccc6OC)CCC5)c3	48
+c1cc2c(CN(CC2)c3nc(C#N)cc4c(CO)c(n(CC=C)c34)C)cc1	269
+O=Cc1c(nc(SC)nc1-c2ccc(cc2C)F)NC(C)CC	198
+c1(nc2c(OC)cccc2cc1CO)-c3cc(ccc3)F	269
+CN1C(Cc2cc(cc(C#N)c12)Br)C	1421
+[nH]1cc(c2c1cc(Cl)c(c2)-c3cc4OCC(CO)Oc4cc3)C(=O)O	1451
+O=S(=O)(n1c2ccccc2c(c1)C=O)C	4093
+c1cc(ccc1)Cn2cc(c3ccccc23)C=O	190
+c1ccccc1S(=O)(=O)n2cc(c3ccccc23)C=O	367
+c1ccccc1-n2c(Cl)c(c3c2cccc3)C=O	1194
+c1cnccc1C(=O)C=Cc2c3ccccc3[nH]c2C	4187
+c1cc(ccc1CO)-c2c(cc3c(c(C=O)c[nH]3)c2)Cl	11
+[nH]1cc(c2cc(ccc12)CCCl)C#N	4934
+c1cc(ccc1C)S(=O)(=O)n2ccc3c2cccc3C=O	367
+c1cc(ccc1)Cn2ccc3c(cccc23)C=O	190
+[nH]1c2cc(C)ccc2c(C=NO)c1	506
+c1(c2ccncc2c(cc1)Br)C=NO	135
+C(c1c2nc(oc2c(cc1)Br)C)=NO	506
+c1cc(ccc1)C(c2cc(Br)c(c(OC)c2)OCCOC)O	704
+c1cc(ccc1C(O)c2cc(c3c(CCO3)c2)Br)F	704
+c1(OC)cc(CO)cc(Br)c1	41
+c1(OCOC)cc(cc(Br)c1)C=C	443
+O=Cc1cc(cc(-c2cc(ccc2)[N+]([O-])=O)c1O)C(CC(OC)=O)C(=O)OC	11
+Oc1cc(C)c(c2c1CCC2)OC	2286
+O=Cc1cc(C)c(OC)cc1O	5
+c1(ccnc2cc(c(cc12)OC)OC)Oc3c(cc(C)cc3)C=O	242
+C(=C[N+](=O)[O-])c1cc(C)cs1	10050
+Oc1ccc(CCC(=O)O)cc1C=Nc2c(O)cccc2	457
+O(C)c1c(Cl)cc(c(F)c1[N+](=O)[O-])C=O	77
+c1cc(ccc1)C(O)c2cc(Cl)c(OC)cc2O	704
+n1cc(cnc1)C(c2cc3cccnc3c(Cl)c2)O	4677
+O=Cc1cc(c(O)c(Cl)c1)O	5
+c1c(cc2c(oc3c(nc(-c4cc(OC)ccc4Br)nc23)O)c1)Br	10051
+c1c(OC)ccc2sc(C(=O)OC)cc12	1425
+O=S(=O)(OCCOc1ccc(cc1C=O)OC)C	262
+c1cc(ccc1)COCCOc2c(cc(OC)cc2)C=O	8
+c1ccccc1C(=O)c2cc3c(ccc(OC)c3)o2	10052
+c1ccccc1COc2ccc(OC)cc2C=O	22
+C(O)c1c(F)ccc([N+]([O-])=O)c1	41
+C(O)c1c(ccc([N+]([O-])=O)c1)O	41
+c1(cc2c(sc(C(=O)OC)c2)cc1Br)F	1425
+O=Cc1cc(c(O)c(F)c1)O	5
+c1ccccc1COc2c(F)cc(cc2OC)C=O	22
+c1ccccc1COc2c(cc(C=O)c(O)c2)OC	22
+O=Cc1c(c(Cl)c(O)c(O)c1)Cl	2990
+O=Cc1cc(c(OC)cc1O)-c2cccs2	809
+O=Cc1cc(Br)c(cc1Cl)O	5
+c1cc(ccc1OC)C(O)c2c(Cl)cc(c(c2)Br)OCC=C	257
+c1c(c(C#N)cc(c1C)Br)F	4933
+c1ccccc1-c2c(C)c(ccc2)COc3c(Br)cc(C=O)c(O)c3	20
+C(C(CC(=O)O)c1cc(c(O)c(C=O)c1)-c2cc([N+]([O-])=O)ccc2)(OC)=O	4
+COc1c(C(C)O)cc(cc1Cl)F	449
+c1ccccc1COc2c(C=O)cc(C(=O)OC)cc2Br	22
+O=Cc1cc(cc(c1O)O)Br	5
+CC(O)c1cc(cc(c1OC)OC)Cl	449
+c1ncncc1-c2cc(c(OCCC=C)c(c2)F)C=O	4719
+O1c2cc(cc(C(C)O)c2OC1)Br	449
+c1c(c(Cl)cc(-c2c(cc(cc2)O)C=O)c1)OC	11
+O=Cc1cc(ccc1Br)Oc2cc(c(cc2)C#N)C(OC)=O	46
+c1ccccc1COc2c(cc(cc2)C(OC)=O)C=O	22
+C(CCCC)CCOc1ccc(cc1CO)Br	41
+C(CCOc1ccc(cc1CO)Br)CCCCC	41
+O=S(=O)(CC)NCc1cncc(Br)c1	10053
+N1(c2c(C(=O)N(c3ccc(Cl)nc13)C)cc(CO)cn2)CC	269
+O1c2c(OC1)c(Cl)cc(CO)c2	41
+O1c2cc(CO)cc(F)c2OC1	41
+O=S(=O)(c1c2cccnc2sc1C(c3cc4OCOc4cc3C)O)N(COCCOC)c5onc(C)c5Cl	4935
+c12OCOc1cc(c(c2)CO)F	41
+c1(cc2c(c(Cl)ccc2)nc1-c3c(cccc3)Cl)CO	269
+c1(cc2c(c(Cl)ccc2)nc1-c3c(cccc3)F)CO	269
+O=Cc1cc2c(nc1-c3c(cccc3)Cl)c(Cl)ccc2	691
+C(C=Cc1cc2c(nccc2)cc1[N+]([O-])=O)(OC)=O	530
+c1(cc2c(o1)cc(cc2)C(=O)OC)C(C)O	10054
+c1(cc2c(nc(c(c2)C=O)O)cc1O)Cl	5
+c1c2c(ccc1O)nc(Cl)c(c2)C=O	5
+c1c2c(ccc1OC)nc(Cl)c(C=NO)c2	506
+C(O)c1c(nc2ccc(cc2c1)OC)NC	269
+C(O)c1cc2ccc(cc2nc1Cl)F	269
+Cc1c2nc(c(cc2ccc1)C=O)-c3c(OC)cccc3F	691
+O=Cc1c(nc2c(OC)cccc2c1)-c3cc(ccc3)F	691
+n1cc(-c2[nH]c3cc(Br)ncc3c2)oc1	4936
+c1(cc2ncccc2cc1OC)C=COC	10055
+O=Cc1ccc(-c2ccc(cc2F)F)c(F)c1O	5
+O=Cc1c(O)c(c(cc1)Br)F	5
+O=Cc1ccc(nc1)C#N	942
+c1ccccc1COC(c2cc(c(cc2)C=O)F)=O	470
+O=S(=O)(c1c(C(c2ccc(C)cc2C)O)sc3c1cccn3)N(c4onc(c4Cl)C)COCCOC	4935
+c1ccccc1C(C=Cc2ccc(cc2F)C=CC(O)=O)=O	307
+O=Cc1ccc(Cl)c2c1n3CCCN(c4ccc(C#N)cc4C)c3n2	274
+c1cc(ccc1Br)-c2sc(cc2)C(C=Cc3c(c(Cl)c(O)cc3)Cl)=O	307
+c1cc(ccc1Br)NCc2c(-c3ccc(nc3)C(=O)NCCC(=O)OCC)cc(OC)cc2	208
+c1(sc(nc1)NCc2c(cc(OC)cc2)OC)Cl	10056
+C(O)c1ccc(OCC)cc1C	41
+O(CC)C(C=Cc1ccc(OCCOC)cc1O)=O	10057
+O(Cc1ccc(cn1)F)c2cc(F)c(cc2)C=C[N+]([O-])=O	417
+O(c1cccc(c1)F)c2ncc(CC[N+](=O)[O-])cc2	10058
+n1cc(-c2ccc([N+]([O-])=O)cc2C)oc1	2939
+c1ccccc1P(c2ccccc2)(c3ccccc3)=CC(C(OCC)=O)=Cc4c(cc([N+](=O)[O-])cc4)F	2897
+Clc1cc2nc([nH]c2cc1Cl)Sc3oc(C=O)cc3	4248
+c1ccccc1COc2ccc(c(c2C)O)C=O	22
+c12c(C(=O)N(C1=O)Cc3c4ccccc4c(C=O)cc3)cccc2	1930
+O=Cc1c(cc(C#N)cc1)CC	1393
+O=Cc1ccc(OCc2ccc(cn2)F)cc1F	412
+O=Cc1cc(Cl)c(OC)cc1F	662
+Fc1c(C(c2ccc3c(c2)ccc(OC)c3)O)ccc(OC)c1	257
+C(C=Cc1ccc(cc1O)F)(OC)=O	10059
+c1ccccc1COc2cc(O)c(cc2)C=O	22
+c1ccccc1COc2c(ccc(OCOC)c2)C=O	22
+c1cc(CO)cnc1C#N	269
+c1cc(cc(Br)c1Oc2ncc(C=O)cc2)C#N	136
+C1COC(O1)c2ccc(nc2)F	4937
+n1c(OC)ccc(CO)c1	269
+Brc1c2ccccc2ccc1C=C	443
+[N+]([O-])(=O)C=Cc1cccc(Br)c1CC	417
+c1cc(ccc1-c2nc(ccc2)C=O)C#N	119
+c1cc(ccc1OCCOC)C(CC)NC(C(=Cc2nc(Br)ccc2)C#N)=O	4463
+O=S(=O)(c1cc(Br)c(cc1)Oc2c(cccc2C)C=O)CC	46
+c1(cc(CO)ccc1)C=O	41
+c12c(CN(Cc3cccc4c3OCO4)C1)c(Nc5cc6c(nc5)cccc6)ncn2	48
+C1COC(O1)c2cccc3[nH]c(nc23)-c4ccccc4[N+]([O-])=O	4937
+c1c(CO)c2c(cc1)ccn2C	269
+c1cc(ccc1)-c2ccccc2C=O	11
+CCOC(=O)C=Cc1c(cccc1)Br	530
+c1cc(c(CNc2cc(c(Cl)cc2)NC3=C(C(=O)CCC3)C)cc1)C	208
+c1cc(c(C)cc1)C(c2c(C)cccc2)O	257
+N(=Cc1ccccc1F)O	135
+c1cccc(F)c1C(c2ccccc2F)O	257
+O=Cc1ccccc1Sc2ccc3c4c2ccc5cccc(cc3)c45	815
+c1cc(ccc1Cl)Oc2ccccc2C=O	46
+c1(I)ccccc1C=Cc2c(Br)cccc2	1521
+Oc1ccccc1C(C[N+]([O-])=O)O	10060
+c1c(C)c(c(cc1O)C)N=Cc2c(O)cccc2	457
+c1cc(ccc1)Oc2ncccc2NCc3c(O)cccc3	3118
+[N+](=O)(c1cc(c(CCNCc2c(cccc2)OC)cc1OC)OC)[O-]	42
+c1ccccc1CCN2C(Nc3ccnc(c3C2=O)Cl)c4c(cccc4)OC	4736
+c1cc(ccc1C(O)c2c(OC)cccc2)CC	704
+c1ccc2c(sc(n2)C(c3ccccc3OCOC)O)c1	10061
+c1c(C=C)c(ccc1)Sc2ccc3c4c2ccc5cccc(cc3)c45	443
+c1([N+]([O-])=O)c(cccc1)-c2nc3c([nH]2)cccc3CO	622
+C1CCCCC1=Cc2ccccc2[N+]([O-])=O	10062
+n1c2c(cccc2)c([nH]1)C=Cc3c([N+]([O-])=O)cccc3	10063
+C1COC(O1)c2sccc2	10064
+N(Cc1nc2CCOCc2c(O)n1)Cc3cccs3	1466
+c1(C=NO)ccnc2c(Br)cccc12	135
+n1ccc(C(C)O)c2cc(C#N)ccc12	449
+O=Cc1cnc(c2cc(OC)c(OCCCOC(=O)C)cc12)C(=O)c3cccc(OC)c3	3807
+O=C(O)c1cnc(C(=O)c2cccc(OC)c2)c3cc(OC)c(OCCCOC(=O)C)cc13	2038
+Fc1c(OC)cc(OC)c(F)c1NCc2c(Cl)cc(Cl)nc2	2116
+c1cnccc1-c2ncccc2OC3CCN(CC3)Cc4cnn(C)c4	678
+COc1c2n(ncc2C=NO)cc(c1)Br	4938
+O=Cc1n(C)cc(C(=O)O)c1	1
+O(CC)C(C=Cc1n(ccc1)-c2ccc(C#N)cc2C)=O	10065
+n1ccccc1NN=Cc2nc3c(cc2)cc(cc3Br)F	1698
+c12ccc(nc1c(ccc2)O)C=NO	688
+n1c(ccc2ncccc12)CO	453
+Clc1ccc(c(c1)-c2cc(ncc2)C=O)O	835
+c1(cc(cc2nc(nn12)-c3ncccc3)Br)N	10066
+O=C(c1oc(cc1)C#N)O	10067
+c1cc(ccc1-c2ccccc2S(C)=O)CC(O)(c3nc(cn3S(=O)(=O)N(C)C)CC(C)(C)CC)C	2033
+c1cc(ccc1[N+]([O-])=O)S(C2CC2)=O	2033
+CC(C)(C(=O)O)CNC(OCc1ccccc1)=O	2773
+N1(CCN(CC1C)N)C(=O)C	1651
+c1ccccc1COc2cc(ccc2)C(C(C)(C)O)S(=O)(=O)N	4939
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C)C(O)=O	3
+c1cc(ccc1)C=2C=CN(C(=O)C=2C)CCC(S(=O)(=O)C)(C(=O)O)C	3
+CC(C)S(=O)(=O)NC1CCCC1O	118
+CC(C)S(=O)(=O)NCC(C)c1cc2c(cc(OCCNS(=O)(=O)C(C)C)cc2)cc1	111
+O=S(=O)(C(C)C)NCC(C)c1ccc2c(c1)ccc(c2)OCCN	51
+O=S(=O)(C(C)C)NCC(C)c1ccc2cc(ccc2c1)O	5
+CC(C)S(=O)(=O)c1cc([N+]([O-])=O)c(cc1)Cl	31
+O=S(=O)(C(C)C)c1c(N)cc(C=C)cc1	0
+O=S(=O)(O)C(CCN=[N+]=[N-])C(OC)=O	310
+n1ccnn1-c2ccc(cc2)C=3C(F)=CN(CCC(S(=O)(=O)C)(C)C(=O)O)C(=O)C=3	3
+c1cc(ccc1-n2cccn2)CCC(S(=O)(=O)C)(C)C(=O)NO	792
+c1cc(ccc1-c2ccc(cc2)[N+](=O)[O-])CCC(C(=O)NOC3CCCCO3)(S(=O)(=O)C)C	11
+O=S(=O)(C(c1c(C)cc(C(=O)NCOCc2cnccc2)nc1)c3cc(F)ccc3F)c4ccc(cc4)F	10068
+c1ccccc1-c2ncc(CCC(S(=O)(=O)C)(C(=O)NO)C)cc2	119
+O=S(=O)(C(C)(C(OCC)=O)CCn1cc(cn1)-c2cnccn2)C	338
+O=S(=O)(C(CCc1cnc(Br)cc1)(C)C(=O)O)C	3
+O=S(=O)(C(C)(CCN1C(=O)C(=C(c2ccccc2)C=C1)C)C(OCC)=O)C	10069
+O=S(=O)(C)C(C(O)=O)(CCN1C=C(C(=CC1=O)I)F)C	3
+O=S(=O)(C(CCN1C=C(F)C(=CC1=O)C#Cc2ccccc2)(C)C(OCC)=O)C	10070
+O=S(=O)(C)C(CCn1ncc(-c2cnccn2)c1)(C)C(NO)=O	792
+O=S(=O)(C)C1CC(N(C(CC(=O)C)=S)C1)C(OC)=O	4940
+O=S(=O)(C1CN(c2n(-c3cc(Cl)ncc3)nc(C)c2)C(C1)C(O)=O)C	4
+O=S(=O)(CC(C#N)(C)NC(OCc1ccccc1)=O)C	101
+c1cc(ccc1CN(CCCn2c3c4c(nc(N)c3nc2CCCC)cccc4)C(=O)CS(=O)(=O)C)CC(OC)=O	10
+O=S(=O)(C)CCC(Cc1cccc(C#N)c1)(NC(OC)=O)C(O)=O	4
+O=S(=O)(C)CCC(Cc1cccc(C#N)c1)(C(=O)NCC(NCc2sc(C#N)cc2)=O)NC(=O)OC	207
+C(CCN1C(=O)N(c2ncn(c2C1=O)C)C)CCCCCCCC=C	10071
+O=S(=O)(C)OCCCS(=O)(=O)C	7
+O=S(=O)(C)CCCOc1ncc(-c2ccc(F)c(c2)CO)c(C)c1	49
+O=S(=O)(C)CCN1CCN(CC1)c2c(cc(N)c(c2)OC)CC	0
+O=S(=O)(C)CCN1CCN(CC1)c2c(CC)cc(c(OC)c2)[N+](=O)[O-]	34
+c1(c(c(ccc1)C#N)O)F	10072
+O=S(=O)(C)Cc1cc(N2CCOCC2)nc(-c3cc4c(cc3)[nH]nc4)n1	3119
+O=S(=O)(C)Cc1nc(nc(N2CCOCC2)c1)-c3cc4c(C)n[nH]c4cc3	3119
+O=S(=O)(C)c1cc(C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CCOS(=O)(=O)C)ccn1	7
+O=S(=O)(CC)CCCn1c(COS(=O)(=O)C)cc2cc(Cl)ccc12	7
+O=S(=O)(N(c1cccc2cc([nH]c12)C=3SC(CN=3)(C)CCOS(=O)(=O)C)C)c4cccs4	7
+O=S(=O)(C)OCC(C)NS(=O)(=O)c1ccccc1[N+]([O-])=O	7
+O=S(=O)(c1cc(ccc1)Cl)Nc2cc(nc3sc(C#CCOS(=O)(=O)C)c(-c4cc(ccc4)OC)c23)C	10073
+O=S(=O)(Nc1cccc(N2C=3N(C)C(C=C(OS(=O)(=O)c4ccc(cc4)C)C=3C(N(C5CC5)C2=O)=O)=O)c1)C	80
+O=S(=O)(OCCOC1CC2COc3c(F)ccc(F)c3C2(S(=O)(=O)c4ccc(cc4)Cl)CC1)C	7
+O=S1(=O)CCN(CCN1)S(=O)(=O)C	112
+O=S1(=O)c2cc(c(OC)cc2C(c3ccccc3)NC(CC)(C1)CCCC)CCCOS(=O)(=O)C	7
+OB(O)c1cccc(OS(=O)(=O)C)c1	444
+O=S(=O)(OC1c2c(cccn2)CCCC1)C	7
+O=S(=O)(OCC(c1cc(c(cc1)Cl)Cl)CC=C)C	7
+O=S(=O)(C)OCC(c1ccc(Cl)c(c1)Cl)CCOC2OCCCC2	7
+C1CC1(CO)COS(=O)(=O)C	7
+O=S(=O)(OCC1N2C=3N(C1)C(C=NC=3C=CC2=O)=O)C	7
+O=S(=O)(C)OCC1Cc2c(cccc2)C(N1)=O	7
+O=S(=O)(C)OCc1ncccc1	7
+O=S(=O)(C)Oc1ccccc1OC	444
+O=S(=O)(C)OCC1Oc2c3ccc(nc3c(C)cc2C1)O	7
+O=S(=O)(C)OCCCCN=[N+]=[N-]	7
+O=S(=O)(C)OCCCC1Cc2c(C(=O)N1)[nH]c3ccc(OC)cc23	7
+O=S(=O)(OCCc1sc2nc(-c3cccc(C#N)c3)nc(c2c1)N)C	7
+O=S(=O)(C)Nc1ncc(c(C)c1)Br	802
+O=S(=O)(C)Nc1cc(C=O)ccc1	80
+O=S(=O)(Oc1ccc(F)cc1Cl)C	444
+O=S(=O)(C)OC(C)c1c(c(C(=O)NCC)c(c(c1)Cl)C)-c2cc(F)cc(c2)F	7
+c1(cc(cc(F)c1)C(C2CCN(CC2)S(=O)(=O)C)CC(OC(C)C)=O)F	112
+c1(F)cc(cc(F)c1C2=CCN(CC2)C(=O)C3OC(C)(C)OC3)N4C(OC(C4)COS(=O)(=O)C)=O	7
+O=S(=O)(Nc1cn(c(C#N)c1)C)C	1374
+O=S(=O)(C)OCC1CN(C(=O)O1)c2ccc(c(F)c2)N3CC(N(CC3)C)=O	7
+O=S(=O)(C)OCC1CN(C(=O)O1)c2ccc(N3CCN(C(=O)C3)CC)c(F)c2	7
+O=S(=O)(C)OCC1CN(C(=O)O1)c2ccc(N3CC(=O)N(CCOC)CC3)c(F)c2	7
+O=S(=O)(C)OCc1nc(Cl)nc(N2CCOCC2C)c1	7
+O=S(=O)(OCc1c(F)c(ccc1Cl)NC(=O)C)C	7
+O=S(=O)(C)OCCOc1cc(c(cc1F)F)F	7
+O=S(=O)(Nc1n[nH]c2ccc(cc12)[N+](=O)[O-])C	802
+O=S(=O)(C)OCCc1cccc(c1)[N+]([O-])=O	7
+O=S(=O)(C)OCC1c2ccccc2CC1NC(c3cc4sc(c(Cl)c4[nH]3)Cl)=O	7
+O=S(=O)(OCC(CNC(=O)C)c1cccc2ccc(OC)cc12)C	7
+O=S(=O)(C)n1nc(-c2ccnc3ccc(cc23)C#N)cc1	2604
+O=S(=O)(C)OCCCn1nc(-c2cccc(I)c2)nn1	7
+c1cc(ccc1CC23CC(CN2C(N(c4cc(Cl)cc(c4)Cl)C3=O)=O)OS(=O)(=O)C)C#N	7
+c1c(OCC)c(c(cc1CCl)OCC)-c2ccc(cc2)F	438
+O=S(=O)(OCc1c2ccccc2cc(Br)c1)C	7
+O=S(=O)(C)OCc1cc(nc(c1)C)Br	7
+O=S(=O)(C)OCCc1cnn(c1)-c2nccc(C#N)c2	7
+O=S(=O)(C)OCc1coc(COC)n1	7
+c12c(C(=O)N(C1=O)CCCN(S(=O)(=O)c3ccc(cc3)C)CC(F)(F)CCOS(=O)(=O)C)cccc2	7
+O=S(=O)(C)OC1Cc2c(cccc2CC1)NC(=O)C	7
+O=S(=O)(OCCC1c2c(CCO1)cc(-c3cnccc3)cc2)C	7
+O=S(=O)(OCc1cc2cc(Cl)cc(F)c2n1CCC(OCC)=O)C	7
+O=S(=O)(OCCC1OCCc2c1ccc(c2)C(=O)N)C	7
+c12c(cccc1)C(=O)N(C2=O)C(CCCCOS(=O)(=O)C)(C#N)CF	7
+O=S(=O)(OCCOCCc1ccc2c(ccs2)c1)C	7
+O=S(=O)(Nc1cc2c([nH]cc2CC(=O)OC)cc1)C	80
+Cc1cccc(C)c1-c2c(C)c(COS(=O)(=O)C)ccc2	7
+O=S(=O)(NCCOc1cc(C)c(c(c1)C)Br)C	111
+O=S(=O)(C)OCCCn1cnc2ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)cc12	7
+O=S(=O)(C)OCCc1cccc(C2=NN(C(C=C2)=O)Cc3cccc(C(OC)=O)c3)c1	7
+O=S(=O)(OCc1c(C)c([N+](=O)[O-])ccc1)C	7
+O=S(=O)(OCCOc1cc(F)cc(F)c1)C	7
+O=S(=O)(C)Nc1cc(ccc1)-c2csc3cnc(nc23)Cl	80
+O=S(=O)(C)Nc1cccc(-c2c3nc(Cl)nc(N)c3sc2)c1	80
+O=S(=O)(C)Nc1cccc(OCC2OC2)c1	80
+O=S(=O)(C)N1CCC(Nc2cc(c(C#N)cc2)Cl)C1	112
+c1c([N+]([O-])=O)c(ccc1C=CCCl)OCOC	10074
+O=S(=O)(C)OCCOc1ccc2n(cc(CC(N3C4CC4CC3C(=O)NCc5c(F)c(ccc5)Cl)=O)c2c1)C(=O)N	7
+O=S(=O)(NCCn1c(nc2c(ncnc12)N)Sc3cc(OC)ccc3I)C	111
+O=S(=O)(C)OCCOc1ccc(-c2ccccc2F)nc1	7
+c1c(cc2c(OC(C)C(=O)N2)c1)CCl	438
+O=S(=O)(C)OC1CCCN(c2nc3ccc(cc3s2)Br)C1	7
+O=S(=O)(Nc1ccc(cc1Sc2ccc(F)cc2F)C(=O)NCC)C	80
+O=S(=O)(Nc1ccc(C(C)=O)cc1Sc2ccc(F)cc2F)C	80
+O=S(=O)(OCCCN1CCN(C(C=Cc2ccc(c(c2)Cl)Cl)=O)CCC1=O)C	7
+O=S(=O)(OCCc1oc2c(cc(cc2)-c3n4c(ccn4)nc5c3CCC5)c1)C	7
+O=S(=O)(C)OCC(O)CC1c2ccccc2CCc3sccc13	7
+c1c2c(cc(c1)CCl)N(c3c(nccn3)S2)COC	438
+O=S(=O)(OCC(N1c2ccccc2Sc3ccc(C#N)cc13)C)C	7
+O=S(=O)(Nc1c2cc(Cl)c(cc2on1)COc3cc(c(cc3)F)Cl)C	802
+O=S(=O)(OCCn1ncc(-c2cc(-c3nc4ccccc4o3)c(nc2)N)c1)C	7
+O=S(=O)(NCCOCCOc1ccc2c3c(c(nc2c1)N)nc(CCC)s3)C	111
+O=S(=O)(NCCSc1n2ccnc2ccc1)C	111
+O=S(=O)(C)OCCOc1ccc2c(ccnc2c1)-c3c4n(nc3-c5ccccn5)CCC4	7
+O=S(=O)(OCc1cnc(C#N)cc1)C	7
+O=S(=O)(C)Nc1c(cccc1)Nc2c(cnc(Cl)n2)F	80
+O=S(=O)(OC1CN(CC1)c2ccc(cn2)Br)C	7
+O=S(=O)(OCc1c(OC)ccc(I)c1)C	7
+O=S(=O)(C)Nc1c(OC)ccc(c1)Br	80
+O=S(=O)(C)OCc1ccc(C#N)c(F)c1	7
+O=S(=O)(NCc1cccc(CC(=O)OCC)c1)C	111
+O=S(=O)(Nc1cc(OC(OCC)=O)ccc1OC)C	80
+c1cc(ccc1)-c2c(C(=O)Nc3ccc(cc3)S(=O)(=O)N4c5ccccc5SC(C=C4)CCS(=O)(=O)C)cccc2	1887
+O=S(=O)(C)OCCc1c2ccccc2[nH]c1-c3ccccc3	7
+c1cc(ccc1)-c2c(ncn2C3C(CCCC3)OS(=O)(=O)C)C(=O)OCC	7
+c1cc(ccc1)-c2c3c(N(C(=O)N(C3=O)C)C)cn2CC(OS(=O)(=O)C)C	7
+O=S(=O)(OCC(c1ccccc1)C(=O)Nc2cc3c(cncc3)cc2)C	7
+c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C	7
+c1ccccc1C(c2ccccc2)N3CC(C3)NS(=O)(=O)C	111
+c1cc(ccc1)CN2CCC(COS(=O)(=O)C)C2	7
+c1cc(ccc1)COC(=O)N2CC(COS(=O)(=O)C)CCC2	7
+c1cc(ccc1)COC(CCCCS(=O)(=O)C)=O	1887
+c1cc(ccc1)COC(N(c2cccc[n+]2[O-])CCCOS(=O)(=O)C)=O	7
+O=S(=O)(Nc1ccc(c(CN(C(=O)OCc2ccccc2)CC)c1)-c3c(OC)ccc(c3)CC(OCC)=O)C	80
+c1cc(ccc1)COC(=O)c2c3cc(ccc3[nH]c2C)CCOS(=O)(=O)C	7
+O=S(=O)(OCC(c1c(cc(cc1)Br)C)COCc2ccccc2)C	7
+O=S(=O)(OCC(F)(F)COCc1ccccc1)C	7
+O=S(=O)(C)OCCCc1c(cccc1OCc2ccccc2)C(OCC)=O	7
+c1cc(ccc1)COc2ccccc2OCCOS(=O)(=O)C	7
+c1cc(ccc1)N2C(CC(COS(=O)(=O)C)CC2)=O	7
+c1cc(ccc1)NC(NC(CCCCOS(=O)(=O)C)C(=O)N2CCCCC2)=O	7
+c1cc(ccc1)Oc2c(cc(F)cc2)N(C(=O)C)Cc3c(ccc(OC)c3)OCCOS(=O)(=O)C	7
+c1cc(ccc1)Oc2cc(c(cc2C3=CN(C)C(=O)C=C3)NS(=O)(=O)C)C	80
+O=S(=O)(NC(=O)c1ccc(c(-c2c(nccc2)OC)c1)Oc3ccccc3)C	4358
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCCC3(CCCCC3)CCOS(=O)(=O)C	7
+c1cc(ccc1-c2c(c3cc(Br)c(cc3o2)NS(=O)(=O)C)C(OCC)=O)F	80
+O=S(=O)(C)NCc1cccc2c(O)nc(-c3ccc(cc3)CN4CCN(CC4)C)cc12	111
+c1cc(ccc1-c2ccc(C=O)s2)CCl	438
+c1cc(ccc1-c2ccc(cc2)C(C)=NOCCOS(=O)(=O)C)F	7
+c1cc(ccc1C2CC2CCOS(=O)(=O)C)-c3ccc(cc3)C#N	7
+c1cc(ccc1-c2cc3c(cc2)oc(CCOS(=O)(=O)C)c3)C#N	7
+c1cc(ccc1NS(=O)(=O)C)-c2c3nccn3ccc2	80
+c1cc(ccc1-c2csc(-c3c(C)sc(c3)C(=S)OC)n2)NS(=O)(=O)C	80
+c1cc(ccc1-c2nc(COS(=O)(=O)C)cc(N3C(C)COCC3)n2)NC(=O)Nc4nocc4	7
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCCOS(=O)(=O)C	7
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCOS(=O)(=O)C	7
+O=S(=O)(C)OCc1c2c(nc(-c3ccc(cc3)OCOC)c1)n(nc2C)C4CCCCO4	7
+O=S(=O)(C)Nc1cc2oc(c(C(=O)NC)c2cc1Br)-c3ccc(cc3)C#N	80
+c1cc(ccc1-c2sc(cn2)C(Nc3nccc(N4C(COC4=O)C(OS(=O)(=O)C)C)n3)C)Cl	7
+c1cc(ccc1CCOS(=O)(=O)C)-n2c(CC)nc3c2cc(c(C(N)=O)c3)Cl	7
+C1CCCC1(c2ccc(cc2)Br)COS(=O)(=O)C	7
+O=S(=O)(C)OCCCc1ccc(cc1)Br	7
+C1CN(CCN1S(=O)(=O)C)c2ccc(cc2)Br	112
+O=S(=O)(C)OCCC#Cc1ccc(cc1)-c2cn3c(cc(C)cc3)n2	7
+c1cc(ccc1C(Oc2cc(OC)c(OC)cc2)CCCOS(=O)(=O)C)C#N	7
+c1cc(ccc1C(CCOS(=O)(=O)C)n2cncc2)C#N	7
+c1cc(ccc1C#N)CCOS(=O)(=O)C	7
+c1cc(ccc1C(C(Nc2c(-c3cc(OC)c(cc3)OC)nccc2)=O)OS(=O)(=O)C)C	10075
+c1cc(ccc1NS(=O)(=O)C)C(=O)C	80
+O=S(=O)(C)Nc1c2c(ccc1)n(C(CC(=O)OC)(c3ccc(cc3)Cl)CC)cc2	80
+c1cc(ccc1C2(CCC2)C(N3CC(CCC3)COS(=O)(=O)C)=O)Cl	7
+c1cc(ccc1C2(CC3CC2CC3)c4ccc(cc4)-c5nc(on5)COS(=O)(=O)C)OCc6ncccc6	7
+CC1(C)C(=C(c2ccc(cc2)F)c3c(O1)cc(cc3)NS(=O)(=O)C)F	80
+c1cc(ccc1Br)C2=NOC(C2)COS(=O)(=O)C	7
+c1cc(ccc1Cl)C2N(C(C(CC2c3cccc(Cl)c3)(CC=C)C)=O)C(CN(C)S(=O)(=O)C)CC	112
+O=S(=O)(C)OC1CC(OC1)c2ccc(cc2)Cl	7
+O=S(=O)(C)OC1CC(c2ccc(cc2)Cl)OCC1	7
+c1cc(ccc1C=2CCN(C(=O)OCc3ccccc3)CC=2)N4CC(COS(=O)(=O)C)OC4=O	7
+c1cc(ccc1Cl)CC(C(C)OS(=O)(=O)C)c2cc(ccc2)C#N	7
+O=S(=O)(N1CCC(c2ccc(cc2)CC(N)C(=O)OC)=CC1)C	990
+c1cc(ccc1NS(=O)(=O)C)CC(O)=O	80
+c1cc(ccc1CC(OC)=O)CN(CCCOS(=O)(=O)C)CCCN2C(Nc3c(nc(nc23)OCCCC)N)=O	7
+c1cc(ccc1CCCOS(=O)(=O)C)-c2c(F)c(c(cc2)OCC)F	7
+O=S(=O)(C)OCCCc1ccc(cc1)CCCCC	7
+c1cc(ccc1CCNc2c(c(CC)ncn2)C(OCC)=O)CCOS(=O)(=O)C	7
+O=S(=O)(OCCc1ccc(cc1)CCCCCCCC)C	7
+c1cc(ccc1CCOS(=O)(=O)C)OCCCN2CCCCCC2	7
+c1cc(ccc1CCOS(=O)(=O)C)CCOC2OCCCC2	7
+O=S(=O)(C)N(Cc1ccc(cc1)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C)C	112
+c1cc(ccc1-c2c(Br)cccc2)COS(=O)(=O)C	7
+c1cc(ccc1-c2nccnc2)COS(=O)(=O)C	7
+O=S(=O)(OC1CN(C(=O)OCc2ccc(cc2)[N+]([O-])=O)CC1)C	7
+O=S(=O)(OC1CN(C1)c2scc(n2)C(=O)NC3CN(CC3)C(=O)OCc4ccc(cc4)[N+]([O-])=O)C	7
+O=S(=O)(OCCOCCOCCOCc1ccc(cc1)OC)C	7
+c1cc(ccc1Cc2[nH]c3ccccc3n2)C(N4CCC(C4)OS(=O)(=O)C)=O	7
+O=S(=O)(OCCn1ccc2cc(ccc12)C#Cc3ncc(cc3)-c4ccc(cc4)Cl)C	7
+c1cc(ccc1OCCOS(=O)(=O)C)C#Cc2ncc(-c3ccc(cc3)Cl)nc2	7
+O=S(=O)(C)OCCC#Cc1ccc2c(snc2-c3ccc(cc3)Cl)c1	7
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCOS(=O)(=O)C	7
+C1CCCCC1C(c2n(-c3ccc(cc3)Cl)nc4CCCc24)COS(=O)(=O)C	7
+O=S(=O)(C)OCc1noc(C)c1-c2c(C(c3ccc(cc3)Cl)=O)cccc2	7
+O=S(=O)(C)OC1C(c2ccc(cc2)Cl)COCC1	7
+c1cc(ccc1Cl)CNC(=O)C2=CN(c3cc(sc3C2=O)CCl)CC(=O)N(C)OC	1732
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(N(CC)C=2)sc(CCl)c3)=O	1732
+c1cc(ccc1Cl)CNC(C=2C(=O)c3cc(CCl)sc3N(C=2)CCOC)=O	1732
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(N(C)C=2)c(I)cc(CCl)c3)=O	438
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(N(C=2)C)c(c(CCl)s3)C)=O	1732
+O=S(=O)(c1ccc(cc1)Cl)C(c2c(F)ccc(F)c2)c3c(cnc(NS(=O)(=O)C)c3)C	802
+O=S(=O)(C)Nc1c(Br)cc2c(oc(-c3ccc(cc3)F)c2C(=O)OC)c1	80
+O=S(=O)(OCCCN1c2c(C=3C=CC(=O)N(c4c(cccc4)C)N=3)c(-c5ccc(cc5)F)nn2CC1)C	7
+c1cc(ccc1F)-c2n3c(cc2C(OCC)=O)cc(cc3)COS(=O)(=O)C	7
+c1cc(ccc1F)-c2c(c3c(cc(c4OC(C)Cc34)NS(=O)(=O)C)o2)C(OC)=O	80
+c1cc(ccc1F)C(NC2CCN(CC2)S(=O)(=O)C)=O	112
+c1cc(ccc1F)CCN2CCC(C(COS(=O)(=O)C)C2)C	7
+c1cc(ccc1C(=O)N2CC(CC2)OS(=O)(=O)C)I	7
+c1cc(ccc1C(CC2CCCC2)C(=O)Nc3sccn3)NS(=O)(=O)C	80
+c1cc(ccc1NS(=O)(=O)C)C(OCC)=O	80
+c1cc(ccc1N(c2c3c(nc(C)n2)cccc3)C)NS(=O)(=O)C	80
+C1(c2ccccc2C(=O)N1CCCOc3ccc(cc3)NS(=O)(=O)C)=O	80
+O=S(=O)(C)OCCc1cccc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)c1	7
+c1cc(ccc1N2C(=O)C(COS(=O)(=O)C)CC2)Cl	7
+c1cc(ccc1S(=O)(=O)NC(COS(=O)(=O)C)C(Nc2ccc(cc2)CC(OCC)=O)=O)F	7
+c1cc(ccc1OC)-c2nc(oc2-c3ccc(cc3)OCCOS(=O)(=O)C)OC	7
+c1cc(ccc1OC)CCCCOS(=O)(=O)C	7
+c1cc(ccc1OC)CN2C(=O)C(=CC(=N2)COS(=O)(=O)C)Br	7
+c1cc(ccc1OC)COc2cc(COS(=O)(=O)C)c(-c3cc(OC)ccc3F)cc2	7
+O=S(=O)(C)N1CCC(C1)Oc2ccc(cc2)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5	112
+O=S(=O)(OCC(COc1ccc(cc1)C#N)O)C	7
+c1cc(ccc1CCl)OCC=C	438
+O=S(=O)(Oc1ccc(cc1)OCCCc2ccc(cc2)OCc3ccccc3C(OC)=O)C	444
+c1cc(ccc1CC(C)(C(=O)OCC)Oc2ccc(cc2)C(C)C)OCCOS(=O)(=O)C	7
+c1cc(ccc1OCCOS(=O)(=O)C)CC(C)(CCCc2ccccc2)C(=O)OCC	7
+O=S(=O)(C)OCCOc1ccc(cc1)Cc2c(nn3c2nc(cc3C)C)CC	7
+c1cc(ccc1OCc2ccccc2)CCCCOS(=O)(=O)C	7
+O=S(=O)(C)OCCCc1ccc(cc1)OCc2ccccc2	7
+O=S(=O)(Oc1ccc(cc1)OCCc2ccc(cc2)OCc3ccccc3C(OC)=O)C	444
+c1cc(ccc1OCc2ccccn2)-c3nc(CCOS(=O)(=O)C)c(C)o3	7
+C(OC)(=O)C(C(OC)=O)(CNS(=O)(=O)c1ccc(cc1)OCC#CC)N2CCN(CC2)S(=O)(=O)C	112
+O=S(=O)(Oc1cc2c(cc1)OCC(O2)COS(=O)(=O)c3ccc(cc3)C)C	444
+O=S(=O)(C)Nc1ccc(cc1)SCCCCl	80
+c1cc(ccc1[N+]([O-])=O)COC(=O)N2C(COCC(O)=O)CC(OS(=O)(=O)C)C2	7
+c1cc(ccc1[N+](=O)[O-])NS(=O)(=O)C	80
+C1CC(CCN1S(=O)(=O)C)Oc2ccc(cc2)[N+]([O-])=O	112
+c1cc(ccn1)CN(S(=O)(=O)C)Cc2cc(-c3nc(Cl)ncc3)ccc2	112
+O=S(=O)(OCC1ON=C(C1)c2ccc(Br)cn2)C	7
+O=S(=O)(Nc1c(ccc2C(C#N)CCCc12)OC)C	80
+O=S(=O)(C)N1CCCc2c1ccc(Br)c2	1632
+c1cc2nc(SC)sc2cc1CCl	438
+O=S(=O)(C)Nc1c(cccc1)C(=O)OCC	80
+O=S(=O)(Nc1ccccc1C#Cc2c3nc(nn3ccc2)Cl)C	80
+O=S(=O)(C)NC1CCCOc2c1cccc2	111
+O=S(=O)(C)OCCc1cccc2ccc(OC)cc12	7
+O=S(=O)(OCc1ccc(cc1C)-c2c(cccc2)Cl)C	7
+c1cc2c3ccccc3n(c2cc1)CCCOS(=O)(=O)C	7
+O=S(=O)(OCCn1c2cc(-c3ccccc3)cc(C)c2nc1CCC)C	7
+c1ccccc1C(=O)OC2C(F)CN(CC(CC#N)OS(=O)(=O)C)CC2	7
+c1ccccc1-c2nc3c(c(C(=O)NC(CC)c4ccccc4)c2CNS(=O)(=O)C)cccc3	111
+c1ccccc1C(=O)OC2(CC2)CCOS(=O)(=O)C	7
+O=S(=O)(C)OC(c1ccc2nccnc2c1)c3ccccc3	7
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)COS(=O)(=O)C	7
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(COCc4ccccc4)OS(=O)(=O)C	7
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(F)nc(CCCOS(=O)(=O)C)c4	7
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(CCOS(=O)(=O)C)nc4	7
+c1ccccc1C(c2ccccc2)C3OCCC(C3)OS(=O)(=O)C	7
+c1ccccc1C2(CC2)c3nc4c(nc(-c5ccc(cc5F)CCNS(=O)(=O)C)s4)cc3	111
+c1cc(ccc1)CC(CCCc2ccccc2C(=O)OC)OS(=O)(=O)C	7
+c1cc(ccc1)CC2NC3(CCN(CC3)S(=O)(=O)C)N(Cc4ccccc4)C2=O	112
+c1ccccc1COC(NC(COS(=O)(=O)C)C)=O	7
+O=S(=O)(OCCCCNC(=O)OCc1ccccc1)C	7
+c1ccccc1COC(=O)c2ccc(cc2)-c3cc(C)c(c(c3)C)OCCOS(=O)(=O)C	7
+c1ccccc1COC(N2c3c(cc(N4CC(COS(=O)(=O)C)OC4=O)cc3)CCCC2)=O	7
+c1ccccc1COC(=O)NC(COS(=O)(=O)C)COC	7
+c1ccccc1COC(=O)NCCCCN(CC)S(=O)(=O)C	112
+O=S(=O)(C)Nc1c(ccnc1)OCc2ccccc2	1374
+O=S(=O)(C)OCc1c(ccc(C=O)c1)OCc2ccccc2	7
+c1ccccc1COc2ccc(cc2)N(c3ccc(cc3)C(COS(=O)(=O)C)C)C	7
+c1ccccc1COc2c(cc(CN(CCc3ccccn3)C(=O)CCCCc4ccccc4)cc2)COS(=O)(=O)C	7
+c1ccccc1COc2ccc(cc2NS(=O)(=O)C)OCC#N	80
+O=S(=O)(C)OCCNc1ccccc1	7
+c1ccccc1Nc2cc(N3CCN(CC3)S(=O)(=O)C)ccc2[N+]([O-])=O	112
+c1cc(ccc1CC(Oc2ccccc2)C(OCC)=O)OCCOS(=O)(=O)C	7
+O=S(=O)(C)OCCCCCCCCCCCOc1ccccc1	7
+O=S(=O)(C)OCCCCCCCOc1ccccc1	7
+c1ccccc1OCc2oc(c(CCOS(=O)(=O)C)n2)C(=O)OCC	7
+O=S(=O)(Nc1cc(ccc1Oc2ccccc2)O)C	80
+O=S(=O)(Nc1c(Oc2ccccc2)ccc(c1)OC)C	80
+c1ccccc1P(c2ccccc2)(=O)c3ccc4c(cccc4)c3-c5c6c(ccc5NS(=O)(=O)C)cccc6	80
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCc3cccc(CCl)c3	438
+O=S(=O)(Nc1c(cccc1)-c2ccncc2)C	80
+O=S(=O)(N1Cc2c(CC1)c(ncc2)Nc3cc(-c4cc5ccccc5cn4)c(C)cc3)C	112
+C1CC(CCC1OS(=O)(=O)C)Oc2ncc(cn2)CC	7
+c1nc2Nc3cc(ccc3Sc2nc1)CCl	438
+O=S(=O)(C)OCc1ccc2c(sc(n2)Br)c1	7
+O=S(=O)(n1c(C)c(c(C)n1)-c2ccc3n(c(cn3)C(Nc4c(C)ccc(-c5noc(n5)C)c4)=O)c2)C	2604
+O=S(=O)(OCCc1cc(ccc1)Nc2ncc3CC(c4c(cccc4)-c3n2)c5c(cccc5)F)C	7
+O=S(=O)(OCc1cnc(cc1)F)C	7
+O=S(=O)(C)OCCn1c2c(c3nc(-c4occc4)nn3c(n2)N)cc1	7
+n1cc(cnc1N2CCC(CC2)CCCOS(=O)(=O)C)CC	7
+n1cc(cnc1N2CCC(CC2)OS(=O)(=O)C)CC	7
+n1cc(cnc1N2CCC(CC2)OS(=O)(=O)C)CCC	7
+O=S(=O)(OCCc1c2ccccc2on1)C	7
+O=S(=O)(C)N(c1c(N)cc(Br)cc1)C	0
+c1cc(ccc1N(S(=O)(=O)C)C)C(NCC2N(CCN(c3ccccc3)C2)Cc4ccccc4)=O	513
+O=S(=O)(N(C)c1ncc(c(c1)C)-c2cc(Cl)ccc2OC(C)C(=O)O)C	89
+O=S(=O)(C)Nc1cc(Br)ncc1I	4941
+O=S(=O)(C)Nc1c(I)cc([N+]([O-])=O)cc1	4941
+C1CN(CCC1)c2cc(ccc2N)N(C)S(=O)(=O)C	0
+O=S(=O)(C)N1CC(N(Cc2oc3c(C(=O)N(C)C=C3Br)c2)CC1)C	2693
+O=S(=O)(C)N1CC(Nc2nc(nc(Nc3ccc(c(c3)Cl)F)n2)Cl)CC1	387
+O=S(=O)(C)N1CCN(CC1)C(C(NC(=O)c2ccc(cc2)F)CCCO)=O	21
+O=S(=O)(C)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)c2ccc(cc2)F	4
+O=S(=O)(C)N1CCN(CC1)C(=O)C(CCCNC2C(C2)c3ccc(cc3)F)NC(c4ccc(cc4)F)=O	110
+O=S(=O)(C)N1CCN(CC1)C(=O)C(CCC=O)NC(c2ccc(cc2)F)=O	24
+c1nc(ncc1CC)N2CCC(CC2)CCCOc3cc4CCN(S(=O)(=O)C)Cc4cc3	262
+c1cc(ccc1Cl)C(=O)c2ccc3N(S(=O)(=O)C)CC(c4cccc(Cl)c4)c3c2	222
+c1cc(ccc1)-c2c(c3ccc(cc3[nH]2)OC)Cc4nc(C(=O)NS(=O)(=O)C)ccc4	741
+O=S(=O)(C)NC1CCCCC1N2C(=O)c3c(C(C(=O)O)C2c4c(cc(cc4)Cl)Cl)cccc3	3
+O=S(=O)(Cc1ccccc1)NC(C2c3ccccc3C(=O)N(C4C(CCCC4)NS(=O)(=O)C)C2c5ccc(cc5Cl)Cl)=O	344
+O=S(=O)(C)NCCc1cc2ccc(cc2cc1)OCCNC(c3ccccc3)=O	93
+O=S(=O)(C)NCCc1cc2c(cc(OCCN)cc2)cc1	51
+O=S(=O)(C)NCCc1ccc2c(ccc(O)c2)c1	5
+O=S(=O)(C)NCc1c(F)cc(C(C)C(O)=O)cc1	3
+O=S(=O)(C)NCc1cc(cc(-c2c(c(N)ccn2)N)c1)F	13
+c1cc(ccc1-c2c(C(=O)O)c3c(o2)cc(c(Br)c3)NS(=O)(=O)C)F	1
+O=S(=O)(Nc1ccc(C=O)cc1F)C	674
+C1CC(CCN1c2ccc(cc2)C(=O)NCCC(=O)OCC)NCC(O)c3cc(NS(=O)(=O)C)c(O)cc3	87
+C1CC(CCN1c2ccc(cc2)C(=O)O)NCC(O)c3cc(NS(=O)(=O)C)c(O)cc3	87
+O=S(=O)(C)Nc1cc(ccc1O)C(O)CNCCc2ccc(cc2)OCCOCc3cc(ccc3)C#N	132
+O=S(=O)(C)Nc1c(ccc(c1)N)OC2CCCCC2	0
+O=S(=O)(C)Nc1ccc(cc1OCC2CC2)N	0
+O=S(=O)(C)Nc1c(c(Br)cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)c1)OCc4cccc(c4)N	0
+c1cc(ccc1C2CCN(CC2)C(c3ccc(c(NS(=O)(=O)C)c3)C)=O)CN	107
+O=S(=O)(Nc1c(cccc1)C(O)=O)C	6
+O=S(=O)(C)Nc1ccccc1C(=O)N2CC(C(=O)O)CCC2	3
+O=S(=O)(C)Nc1cccc2n(ccc12)C(CC)(c3ccc(cc3)Cl)CCO	95
+O=S(=O)(Nc1n[nH]c2ccc(NS(=O)(=O)c3cc(F)ccc3)cc12)C	69
+O=S(=O)(C)n1c(cc2c1cc(Br)nc2)-c3cnn(C)c3	4711
+c1ccccc1CN(Cc2ccccc2)CC(c3c(ccc(NS(=O)(=O)C)c3)F)=O	676
+O=S(=O)(Nc1cc(ccc1)C(C)O)C	449
+O=S(=O)(Nc1cc(Nc2c(cc(cn2)OCCOC)-c3nc(nc(N)n3)C)cnc1C)C	2097
+O=S1(=O)c2cc(ccc2N=C(C3=C(C4C(CCC4)N(Cc5cc(C)c(cc5)F)C3=O)O)N1)NS(=O)(=O)C	4942
+O=S1(=O)c2cc(ccc2N=C(C=3C(=O)N(C4C(C5CCC4C5)C=3O)Cc6cc(C)c(cc6)F)N1)NS(=O)(=O)C	4942
+c1cc(ccc1F)CN(C(=O)CC2=NS(=O)(=O)c3c(N2)ccc(NS(=O)(=O)C)c3)C4C(C(=O)OC)CCCCCC4	10076
+c1cc(ccc1F)CN(C2CCCCC2C(OC)=O)C(=O)CC3=Nc4c(S(=O)(=O)N3)cc(cc4)NS(=O)(=O)C	10
+O=S(=O)(C)Nc1cc(c(C(NO)=N)cc1)Cl	181
+O(C(=O)CCc1c(cc(OCCC(Oc2c(cc(cc2)CC)Oc3c(cccc3)C)C)cc1)CC)CC	624
+[N-]=[N+]=NC(C)C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O	298
+C1COCCC1C(N=[N+]=[N-])C	298
+[N-]=[N+]=NC(CC)CCCCCC	298
+C(OCCO)C1CC(SC(=O)C)CN1C(OCC=C)=O	4943
+[N-]=[N+]=NC1CCc2c(c(ccc2)NC(C)=O)C1	298
+N(=[N+]=[N-])CC(c1c(F)cnc(Br)c1)(O)C	133
+c1c(c(ccc1O)O)C(OCC(C)CC)=O	10077
+O=C1c2c(C(=O)N1CC(F)(F)CCOCc3ccccc3)cccc2	896
+c1c2c(CCc3ccccc3C2CC(O)CN=[N+]=[N-])sc1	133
+c1ncn(c1)CC(c2ccc(c(c2)Cl)Cl)CCOC3OCCCC3	1193
+O=C1c2c(C(=O)N1CC3(CCOCC3)F)cccc2	896
+CC(OC1CC2C(C(CCC2(C)C1=C)C3(C)C(COC(=O)C)CC(OC(=O)C)CC3)CN=[N+]=[N-])=O	133
+[N-]=[N+]=NCC1OC(=O)N(c2ccc(N3CC(N(CC3)CCOC)=O)c(F)c2)C1	133
+[N-]=[N+]=NCC1OC(=O)N(c2ccc(N3CC(N(CC3)CC)=O)c(F)c2)C1	133
+[N-]=[N+]=NCC1OC(=O)N(c2ccc(N3CC(N(CC3)C)=O)c(F)c2)C1	133
+[N-]=[N+]=NCC1OC(=O)N(c2cc3c(cc2)c(C)no3)C1	133
+N1CC(CN=[N+]=[N-])c2c1cccc2	133
+N(=[N+]=[N-])CC1NC(c2c(C1)cccc2)=O	133
+[N-]=[N+]=NCC1Oc2c(Cl)cccc2C1	133
+O=S(=O)(c1cc(ccc1)F)c2ccc3CCC(CN=[N+]=[N-])Oc3c2	133
+[N-]=[N+]=NCC1Oc2c3ccc(O)nc3c(C)cc2C1	133
+C(COc1ccc(c([N+]([O-])=O)c1)C)C	262
+O=S(=O)(C)OCCCCc1cc2c(cc1)c(ns2)-c3ccc(cc3)Cl	213
+FC(F)=C(CCOC(c1cnc(SC)nc1C)=O)C	1986
+FC(F)=C(C)CCOC(c1cnc(OCCCC)cc1)=O	1986
+c1ccc2C(=O)N(C(c2c1)=O)CCC3CCCN(c4ccc(cc34)Cl)C(c5cnc(cc5)NC(c6ccccc6Cl)=O)=O	896
+[N-]=[N+]=NCCCC1NC(c2[nH]c3c(cc(OC)cc3)c2C1)=O	133
+C(CCc1cccnc1)C(SCC(=O)OCC)CCCCN=[N+]=[N-]	133
+c1cc(ccc1NCCCCCCCCCCCOc2ccccc2)C(OCC)=O	2127
+O=S(=O)(CCCOc1ccc([N+]([O-])=O)c(OC)c1)C	262
+c12c(cccc1)C(=O)N(C2=O)CCCc3ccc(cc3)CCCCC	896
+c1ccccc1COc2ccc(cc2)CCCNc3ccc(cc3)C(OCC)=O	2127
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCN(C)C(=O)OCC	123
+[N-]=[N+]=NC1C(CN(CCN2c3cc(cc(F)c3C=CC2=O)F)CC1)O	2848
+c1ccccc1NCCn2c3ncnc(N)c3c(-c4cc(cc(F)c4)OC)n2	2827
+c1cc(ccc1C(OCC)=O)NCCOc2c3c(ccc2)cccc3	2127
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)C=O	262
+c1cc(ccc1OCCc2ccc(cn2)C(C)OCOC)C=O	885
+c1ccc(cc1CCn2c(cc(C)n2)[N+]([O-])=O)C=3C=CC(=O)N(Cc4cc(C(=O)OC)ccc4)N=3	1593
+COc1cc2c(cc1)cccc2C=C	10078
+c1cc(ccc1CN(C)CCc2cnn(c2)-c3nccc(C#N)c3)F	123
+C1CCCCC1CCCCc2n(c3c(cccc3)n2)CCOc4c(C(=O)OC)cc(CC5C(NC(=O)S5)=O)cc4	262
+c1cc(ccc1C=O)OCCn2ccc3ccccc23	262
+C1CN(CCN1Cc2cc(ccc2OCc3ccccc3)C=O)c4ccccc4	2141
+[N-]=[N+]=NCc1cc(nc(C)c1)Br	2289
+[N-]=[N+]=NCc1ccc(c(c1)F)C#N	2289
+c12cc(OC)c(OC)cc1n(cn2)Cc3ccc4nc(sc4c3)Br	10079
+c1cc(ccc1CN2C(C)(C)CN(Cc3ncc([N+]([O-])=O)cc3)CC2)OC	2019
+CC1(C)OC(C)(C)OC1c2nc(sn2)Nc3c(cc(Sc4ncccc4)cn3)Oc5c(C)nn(C)c5C	10080
+O=S(=O)(C)OCc1ncc(cc1)[N+]([O-])=O	710
+O=S(=O)(C)OCCc1coc2cc(Oc3sc4ccccc4n3)ccc12	710
+c1ccccc1CN2C(C)=CC(C3=C2N(C)C(N(CCCCC(C)OS(=O)(=O)C)C3=O)=O)=O	710
+CC(C)(NS(=O)(=O)C)CNc1c(cnc2c1ccc(OCc3ccccc3)c2)[N+]([O-])=O	2804
+c1ccccc1COc2ccc3c(c2)c4n(c(nc4cn3)COCC)CC(C)(C)NS(=O)(=O)C	2804
+O=S(=O)(Oc1c(cc(OC)c(c1)[N+]([O-])=O)C)C	297
+O=S(=O)(Oc1cc(c(F)cc1Cl)-n2nc(c([N+](=O)[O-])c2C)C)C	1733
+O=S(=O)(C)Oc1cc(c(cc1Cl)F)N	0
+O=S(=O)(Oc1cc(c(cc1Cl)F)NN)C	427
+c1cc(ccc1CCOc2ccc(cc2)OS(=O)(=O)C)CC(C(OCC)=O)OCC	20
+O=S(=O)(C)Oc1cccc(c1)C2(NC(N(C)C2=O)=N)c3ccc(F)c(-c4c(F)ncc(Cl)c4)c3	305
+O=S(=O)(c1c(CO)ccc(Br)c1)C	88
+O=S(=O)(C)c1c(c(C(N2CCN(CC2)c3ccc(S(=O)(=O)C)cc3F)=O)c(F)cc1)F	30
+c1cc(ccc1N2CCN(CC2)C(=O)c3c(ccc(S(=O)(=O)C)c3F)F)C#N	30
+c1cc(ccn1)-c2cccc(c2-c3ccc(cc3)OCc4ccc5ccccc5n4)S(=O)(=O)C	412
+O=S(=O)(C)c1ccc(cc1-n2cncc2)-c3c(nc(N)s3)C	1176
+O=S(=O)(C)c1c2c(c(F)c(F)c1)[nH]c3c2ncc(Br)c3	10081
+O=S(=O)(C)c1ccc(F)cc1NC(c2c(OC)c(C)cc(F)c2)C	60
+O=S(=O)(C)c1c(NC(c2cc(Cl)cc(OC)c2OC)C)cc(F)cc1	60
+O=S(=O)(C)c1c(NC(C)c2cc(cc(Cl)c2OC)F)cc(F)cc1	60
+O=S(=O)(c1c(F)ccc(c1)-c2cc(C=O)ccc2OC)C	11
+O=S(=O)(c1ccccc1-c2c(C(=O)OC)cc3ncc(F)cc3n2)C	10082
+O=S(=O)(C)c1cccc(c1)C2CCCNC2	1446
+O=S(=O)(c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCN)C	18
+O=S(=O)(C)c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCO	237
+O=S(=O)(C)c1cc(C(CCN=[N+]=[N-])NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)ccn1	133
+O=S(=O)(C)c1cc(Cl)c(Oc2c(ccc(CC(O)=O)c2)Cl)cc1	3
+c1cc(ccc1)-c2c(C(OC)=O)c(cc(c2)S(=O)(=O)C)Cl	3022
+O=S(=O)(N(CC(C)C)Cc1ccc(o1)-c2cccc(c2)S(=O)(=O)C)c3c(cccc3)Cl	1242
+O=S(=O)(NCc1sc(cc1)-c2cccc(S(=O)(=O)C)c2)c3cccc(Cl)c3	268
+O=S(=O)(C)c1cc(ccc1)-c2nn3c(ncc3I)s2	4944
+O=S(=O)(C)c1cc(C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CC=O)ccn1	1156
+O=S(=O)(C)c1c(-c2nocc2)c(c(cc1)C(=O)O)C	1
+c1cc(ccc1)CC2CC(c3c(ccc(c3Cl)C(=O)OC)S(=O)(=O)C)=NO2	1820
+O=S(=O)(C)c1cc(F)c(cc1)C(Nc2ccc(cc2F)Br)=S	3120
+O=S(=O)(c1c(cc(cc1)NN)F)C	427
+O=S(=O)(C)c1ccc(NC(=O)c2cc(Cl)ccc2)c(n1)N3CCC(CC3)CC(=O)O	3
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C(O)=O)[nH]3)c2)OC)cn1	1
+O=S(=O)(C)c1ccc(Oc2cc(c3[nH]c(cc3c2)C(=S)N)OC)cn1	742
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C=4SC(CC(=O)O)CN=4)[nH]3)c2)CC)cn1	3
+O=S(=O)(C)c1ccc(Oc2cc3cc([nH]c3c(OC)c2)C4=NCC(S4)CC(=O)O)cn1	3
+O=S(=O)(C)c1cc(Cl)c(cc1)CO	41
+c1cc(ccc1CC(Nc2ccc(cc2)-c3ccc4nc(nn4n3)Nc5c(OC)cc(cc5)S(=O)(=O)C)=O)F	490
+c1cc(ccc1NC(C(c2ccc(cc2)F)C)=O)-c3ccn4nc(Nc5c(OC)cc(cc5)S(=O)(=O)C)nc4c3	490
+O=S(=O)(c1ccc(c(c1)CN(CC)C(=O)OCc2ccccc2)O)C	66
+c1ccccc1C(c2ccccc2)CN3CCCN(Cc4ccc(cc4)S(=O)(=O)C)CC3	61
+c1cc(ccc1-n2cnc(C(OC)=O)c2)S(=O)(=O)C	431
+O=S(=O)(C)c1ccc(cc1)Oc2c3cc(oc3cc(C(OCC)=O)c2)CC	46
+c1cc(ccc1S(=O)(=O)C)N=Nc2ccc(cc2)N(C)CCCCCCO	725
+c1cc(ccc1S(=O)(=O)C)N=Cc2cc([N+](=O)[O-])ccc2	457
+O=S(=O)(c1ccc(cc1)NC(=N)c2ccccc2)C	3121
+c1cc(ccc1C)C(=Nc2ccc(cc2)S(=O)(=O)C)N	1748
+O=S(=O)(C)c1ccc(cc1)Nc2c3nccn3c(cn2)Br	1638
+O=S(=O)(C)c1ccc(cc1)Oc2c3c(oc(CC)c3)cc(C(=O)Nc4ncc(C)cc4)c2	650
+O=S(=O)(C)c1ccc(cc1)Oc2c3cc(CC)oc3cc(C(O)=O)c2	6
+O=S(=O)(C)c1ccc(cc1C#N)-c2sc(nc2C)NC(=O)NCCc3ncc(o3)CC	10083
+C1CCCC1ON=C(C(O)=O)c2ccc(S(=O)(=O)C)c(Cl)c2	4
+O=S(=O)(c1ccc(C(CC2CCC(CC2)=O)C(O)=O)cc1Cl)C	4
+O=S(=O)(C)c1ccc(cn1)Oc2cc(C)c3c(cc(C(=S)N)[nH]3)c2	742
+O=S(=O)(C)c1ccc(cn1)Oc2cc(C)c3[nH]c(cc3c2)C(=O)O	6
+O=S(=O)(C)c1ccc(cn1)Oc2cc(OCC)c3c(c2)cc(C(=S)N)[nH]3	742
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c([nH]c(C4=NCC(CC(=O)O)S4)c3)c(c2)C	3
+O=S(=O)(C)c1ccc(cn1)Oc2cc3cc([nH]c3c(c2)CC)C(N)=S	742
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c([nH]c(C(O)=O)c3)c(OCC)c2	1
+O=S(=O)(c1cnc(cc1)OCCC2CC2C3CCN(CC3)C(OCc4ccccc4)=O)C	640
+c1cc(ccc1C(C)CC)NC(c2ccc(cc2N)S(=O)(=O)C)=O	1768
+O=S(=O)(c1cc2c(CCC(CO)O2)cc1)C	44
+O=S(=O)(C)c1ccc2n(CC(O)=O)c(c(Oc3ccc(cc3)Cl)c2c1)C	4
+O=S(=O)(C)c1cccc(C2CCN(CC2)C(OC)=O)c1F	191
+O=S(=O)(c1c(c(ccc1)C2CCNCC2)F)C	1574
+O=S(=O)(C)c1cccc(NC(=O)Nc2ccc(cc2)Oc3ccnc4cc(O)c(cc34)C#N)c1	16
+O=S(=O)(C)c1cccc(NC(=O)Nc2ccc(cc2)Oc3ccnc4cc(c(cc34)C#N)OCc5ccccc5)c1	446
+c1cc(ccc1Oc2c(C)[nH]c3cc(ccc23)S(=O)(=O)C)F	3122
+O=S(=O)(C)c1cnc(cc1)-c2c(c(CC(O)=O)cc3ccc(cc23)F)C	4
+c1cc(ccc1N2C(=O)N(CC)c3cccnc23)Oc4n(c5c(n4)CCCC5)C	10084
+Cc1nc(nc(c1C(C)CC)Cl)-n2nccc2	10085
+Cc1sc(CNc2c(C)c(nc(n2)OCCCc3[nH]c4c(cccc4)n3)Cl)c(n1)C	3078
+c1cc(ccc1)Nc2ncc(c(n2)C(=O)OC)Cl	1359
+Nc1nc(cs1)-c2nc(SC)ncc2	10086
+c1ccccc1Oc2nccc(C(OC)=O)n2	2914
+c1cc(ccc1N2c3ncccc3N(C(C)C)C2=O)Oc4n(c5ncccc5n4)C	10087
+c1cc(ccc1-c2c(ncnc2OCCOc3ncc(cn3)OC)NS(=O)(=O)CCC)C	3078
+n1(C)ncc(-c2[nH]c3cc(Br)ncc3c2)c1	2550
+O=S(=O)(c1ccc(F)cc1Cl)C2CC(CO)C(C(=O)NC3(CC3)C#N)C2	1974
+c1cc(ccc1CN(C(=O)CC(C(=O)NS(=O)(=O)C2CC2)=O)OC)F	2623
+O=S(=O)(C1CC1)Nc2c(ccc(C(=O)Nc3cc(F)c(cc3)F)c2)F	67
+O=S(=O)(C1CC1)Nc2c3c(nc(C)c2)sc(c3-c4cccc(OC)c4)-c5c[nH]nc5	10088
+O=S(=O)(NC1=C2OCCN2C(C(C)=C1Nc3c(F)cc(I)cc3)=O)C4CCC4	4945
+C1CNCCC1S(=O)(=O)N	62
+c1ccccc1CNS(=O)(=O)C2CCN(CC2)c3ncc(cc3)N	10089
+O=S(=O)(CC(C)(C(=NO)N)NC(=O)OCc1ccccc1)C	609
+O=S(=O)(CC(C)(N)c1nc(on1)C)C	102
+O=S(=O)(CC)Nc1c(F)c(C(=O)c2c[nH]c3ncncc23)ccc1	80
+O=S(=O)(CC)Nc1ccc(c(c1)[N+](=O)[O-])F	80
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4CC5CCC(C4)N5S(=O)(=O)CC	112
+O=S(=O)(N1c2c(F)cc(Br)cc2CC1)CC	1632
+O=S(=O)(Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2[N+]([O-])=O)c1C)CC	80
+O=S(=O)(CC)N1CC=C(c2nc(c(N)nc2)-c3noc(n3)-c4ccccc4)CC1	990
+c1cc(ccc1C(CC)(CC)c2c[nH]c3c2cccc3NS(=O)(=O)CC)F	1374
+c1cc(ccc1NS(=O)(=O)CC)Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC	80
+O=S(=O)(N1CCN(CC1)c2ccc(cc2)[N+]([O-])=O)CC	112
+O=S(=O)(Nc1c(c(OC=2C(=C(N(C(C=2)=O)C)Nc3c(cc(I)cc3)F)C(=O)NCc4ccc(cc4)OC)ccc1)C)CC	80
+O=S(=O)(Nc1nc(OCCCCN2CCc3c(cccc3)C2)ccc1)CC	802
+O=S(=O)(CC)NC1CCCOc2c1cccc2	111
+O=S(=O)(CC)N1CC(CC1)Oc2cc(ccc2-c3ccncc3)F	112
+O=S(=O)(N1CC(Nc2nc(-c3cnc4ccc(cn34)C#N)ncc2)CCC1)CC	112
+O=S(=O)(NC1CCCc2c(cncc12)Br)CC	111
+O=S(=O)(N(c1cccc(c1)C=O)Cc2cccnc2)CC	39
+O=S(=O)(CC)N(Cc1cnccc1)c2cccc(c2)CO	98
+O=S(=O)(CC)NC1CCCCC1CO	44
+c1cc(ccc1C)S(=O)(=O)OCC2CCCCC2NS(=O)(=O)CC	36
+O=S(=O)(Nc1cc(N)c(cc1)F)CC	0
+c1cc(ccc1CNC(c2cnc3C(N(S(=O)(=O)c4ccc(cc4)C#N)Cc3c2)C(C)C)=O)S(=O)(=O)CC	92
+O=S(=O)(c1cc([N+]([O-])=O)c(C(=O)O)cc1F)CC	31
+O=S(=O)(c1ccc2C(C)(C)CNc2c1)CC	621
+O=S(=O)(CCC(OCC)=O)Cc1ccc(cc1)N	0
+O=S(=O)(Cc1cc(Nc2nc(c(cn2)F)-c3c(cc(c(F)c3)F)F)cc(c1)F)CCC	55
+O=S(=O)(CCC)Cc1cc(F)cc(N)c1	0
+c1cc(ccc1C)-c2c(NS(=O)(=O)CCC)ncnc2Cl	570
+O=S(=O)(N(c1c(F)c(N)c(F)cc1)C)CCC	10090
+O=S(=O)(CCC)NCCOc1ccc2CCNC(c2c1)C3(CCC3)c4nc(ccc4)Cl	1218
+O=S(=O)(CCC)Nc1c(c(c(cc1)F)N)F	4946
+O=S(=O)(CCC)Nc1c(F)c(c(F)cc1)C(c2c3c(ncc(Br)c3)n(C(c4c(cccc4Cl)Cl)=O)c2)=O	10091
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnccc2)F)CCC	660
+O=S(=O)(CCC)Nc1ccc(Cl)c(c1F)C(=O)O	6
+O=S(=O)(Nc1cc(c(cc1)F)C(=O)c2c[nH]c3ncc(cc23)Br)CCC	814
+n1cc(cnc1N2CCC(CC2)C3(Cc4cc(C5=CCN(S(=O)(=O)CCCC(=O)OC)CC5)ccc4O3)C)C6CC6	990
+O=S(=O)(NC)CCCCCO	21
+O=S(=O)(CCCCC)NC(=O)c1ccc(c(N(Cc2ccc(Cl)cc2Cl)C)c1)N	0
+c1cc(ccc1OC)N=Nc2c3c(ccc2O)cccc3NS(=O)(=O)CCCCCCCCCCCCCCCC	725
+c1cc(ccc1CCCCCCCS(=O)(=O)F)O	16
+O=S1(=O)N(c2cc(ccc2)-c3cc4c(CC(NS(=O)(=O)C(C)C)C4)cc3)CCC1	4947
+c12c(CC(C1)C3NC(=O)C(C(CC)CC)N(Cc4ccccc4N5S(=O)(=O)CCC5)C3=O)cccc2	4947
+c1cc(ccc1NS(=O)(=O)CCCCl)[N+](=O)[O-]	80
+O=S(=O)(C1CC1)c2ccc(c(c2)C(O)=O)O	4948
+O=S(=O)(N1CCC(CC1)c2n[nH]c3c(C(=O)N)cc(cc23)-c4cccc(CO)c4)CCCN5CCCC5	11
+CC(C)(CC=O)COS(=O)(=O)CCCNC(C)=O	465
+C1CC(CCN1S(=O)(=O)CCCO)Nc2nc(N)c(cn2)C(=O)c3c(ccc(F)c3F)OC	59
+O=S(=O)(C)CCCOc1ncc(c(c1)C)-c2ccc(F)c(C(O)=O)c2	89
+O=S(=O)(CCCOc1ccc(N)c(OC)c1)C	0
+O=S(=O)(c1ccccc1)CCCc2c(c(nn2CCCC)C#N)-c3c(cccc3)N	800
+O=S(=O)(CCCc1ccc(cc1)O)c2ccc(s2)S(=O)(=O)N	5
+O=S(=O)(CCCl)CCC(NCCS(C=C)=O)=O	10092
+O=S(=O)(NCCOc1ccnc(Oc2c(cc(Cl)c(c2)Cl)I)c1)C=C	4949
+O=S1(=O)N=C2C(c3cc4ccc(cc4cc3)OC)=CC=CN2CC1	1776
+O=S(=O)(NCCOc1ccc2ccccc2c1)C=C	4949
+c1cc(ccc1C=2C3=NS(=O)(=O)CCN3C=CC=2)Oc4cc(c(F)cc4)C	1776
+c1cc(ccc1C=2C3=NS(=O)(=O)CCN3C=CC=2)Oc4cc(c(cc4)C)C	1776
+c1cc(ccc1C=2C3=NS(=O)(=O)CCN3C=CC=2)Oc4c(C)cccc4	1776
+c1cc(ccc1C=2C3=NS(=O)(=O)CCN3C=CC=2)Oc4c(cc(F)cc4)C	1776
+O=S(=O)(CC)CCCn1c(cc2cc(Cl)ccc12)CO	194
+c1cc(ccc1-c2onc3-c4c(CCc23)cc(C(C(=O)NCCS(=O)(=O)C)O)cc4)CCC	9
+O=S(=O)(CCNC(c1ccc(cc1)C=NNc2c3cnn(-c4ccccn4)c3ncn2)=O)C	14
+O=S1(=O)c2c(C(c3ccccc3)NC(CC)(C1)CCCC)cc(c(CCCNCCS(=O)(=O)O)c2)OC	285
+c1ccccc1COC(=O)NCCS(=O)(=O)O	101
+c1c(OC)cc(cc1-c2c(-c3nc(Nc4cnc(OC5CN(CCS(=O)(=O)C)CC5)cc4)ncc3)sc(NCC)n2)OC	949
+c1ccccc1CCS(=O)(=O)Nc2ncnc(OCCOc3ncccn3)c2-c4ccc(cc4)C	482
+O=S(=O)(CCn1ccc2ncnc(c12)Nc3ccc(c(Cl)c3)Oc4cccc5sncc45)C	1190
+O=S(=O)(Cc1ccccc1C2=NNC(O2)=S)N	1770
+c1cc(ccc1S(=O)(=O)C(CCCCOC=C)c2cc(ccc2F)F)Cl	10093
+C1CN(CCN1c2cc(cc(CS(=O)(=O)c3ccc(cc3)F)c2N)Cl)C	0
+O=S(=O)(c1ccccc1)Cc2ccc(Br)c(OC)c2C(=O)O	1
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3cc(CS(=O)(=O)c4cccc5ccccc45)c(N)cc3	0
+O=S(=O)(Cc1cc(OC2CCN(C2)C(OCc3ccccc3)=O)ccc1[N+]([O-])=O)c4c5ccccc5ccc4	66
+O=S(=O)(NCCOCCO)Cc1c(cccc1)N	0
+O=S(=O)(c1c2ccccc2ccc1)Cc3cc(OC4CCN(C(OCc5ccccc5)=O)C4)ccc3N	0
+O=S(=O)(Cc1cccc(c1)N)C	0
+O=S(=O)(Cc1c(ccc(OC2CNCC2)c1)[N+]([O-])=O)c3c4ccccc4ccc3	25
+O=S(=O)(Cc1cc(OC2CCN(C2)C(OCc3ccccc3)=O)ccc1[N+]([O-])=O)c4c5ccccc5ccc4	1600
+c1ccccc1C(c2ccccc2)Nc3c(C#CCCNS(=O)(=O)Cc4ccc(c(c4)Cl)Cl)cc(cc3)Cl	121
+O=S(=O)(Cc1ccc2N(Cc3c(C(O)=O)[nH]c4C(=O)N(C=C(c34)c2c1)C)c5ccc(cc5)Cl)C	6
+O=S(=O)(c1ccc(NC(C)=O)cc1CS(=O)(=O)CC)Cl	240
+O=S(=O)(c1cccc2c1cccc2)Cc3cccc(c3N)OCCCCl	0
+O=S(=O)(N)Cc1cc(Nc2nc(-c3ccccc3OC)ncn2)ccc1	1582
+c1cc(ccc1-c2sc(cn2)CN(S(=O)(=O)Cc3ccccc3)CC(C)C)NS(=O)(=O)C	1241
+O=S(=O)(NS(=O)(=O)C1CCNCC1)Cc2ccccc2	2659
+c1(nc(nc(OC)c1)NC(=O)NS(=O)(=O)Cc2ccccc2-c3nnc(SC)o3)OC	1777
+O=S(=O)(C(C)C)NCC(C)c1ccc2cc(ccc2c1)OC	111
+CC(C)S(=O)(=O)NC1C(CCC1)c2ccccc2	111
+CC(C)S(=O)(=O)Nc1c(C(=O)OCC)cnn1-c2ccc(cc2)Br	802
+O=S(=O)(NCC(C)Oc1ccc(cc1)Br)C(C)C	111
+c1cc(ccc1Sc2ccc(C)cc2Nc3ccnc4c3ccc(CCC)n4)OS(=O)(=O)C(C)C	444
+c1cc(ccc1Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34)OS(=O)(=O)C(C)C	444
+c12c(cccc1)CC(C2)NS(=O)(=O)C(C)C	111
+C1CC(CCC1NC(OCc2ccccc2)=O)CNS(=O)(=O)C(C)C	111
+C1CC1(CC=C)S(=O)(=O)Nc2c(c(F)c(cc2)F)Nc3c(cc(I)cc3)F	80
+O=S(=O)(CC#N)NCCCc1ccccc1	111
+O=S1(=O)c2c(cc(C(=O)c3cnn(CC)c3OS(=O)(=O)CCC)c(C)c2C(C(C)(C)C1)=O)C	10094
+O=S(=O)(CCC)Nc1c(c(c(F)cc1)C(c2c[nH]c3ncc(cc23)Br)=O)F	80
+O=S(=O)(CCC)Nc1ccc(F)cc1F	80
+C1CN(CCN1c2nsc3c2cccc3)CCc4ccc(cc4)NS(=O)(=O)CCC	80
+c1ccccc1CC2C(NC(=O)OCC)COc3ccc(N4CC(C4)NS(=O)(=O)CCC)cc23	111
+n1cc(cnc1N2CCC(CC2)C3Cc4cc(C=5CCN(S(=O)(=O)CCC)CC=5)cc(F)c4O3)CCC	990
+O=S(=O)(CCCC)NC(C(=O)NCCc1ccc(c(OC)c1)OCc2cccc3ccccc23)C(C)CC	10095
+c1cc(ccc1-n2nc(cc2CC(C)C)CNS(=O)(=O)Cc3ccc4c(cccc4)c3)F	111
+Clc1cccc(Cl)c1Nc2c(csc2Cl)CC(O)=O	10096
+O=S(=O)(c1cc(C)c(CCOC)s1)Cl	4950
+c1c(c2c(O)c(Cl)cc(C=O)c2cc1)CC	662
+O=S(=O)(c1c(Cc2cc(OC)c(c(c2)OC)OC)sc3ccccc13)Cl	10097
+c1cc(ccc1Cl)-c2nn(C)c(OC(F)F)c2Cl	1188
+c1cc(ccc1F)C(C(C(=O)OC)Cl)=O	3334
+C1CC(CCO1)c2ccc(c(Cl)c2)O	662
+O=S(=O)(c1c(c(cc(c1)F)N2CCCCC2=O)OC)Cl	10098
+c1(nn2c(c1Cl)CCCC2)N	1188
+O=S(=O)(c1sc(c(C)c1)-c2ccc(OC)nc2)Cl	4950
+O=S(=O)(Nc1c(C#N)c(SC)ccc1)N	1630
+O=S(=O)(OCCCCCCCn1c2nc(nc(N)c2nc1Cc3cc4c(cc3I)OCO4)F)N	2419
+c1cc(ccc1)OS(=O)(=O)N	4259
+O=S(=O)(c1sccc1Br)n2cccc2	10099
+c1(ccc(OC)c(c1Cl)Cl)S	3066
+O=S(=O)(c1c(cc(cc1)F)C)Nc2cncc(c2)-c3ccc(c(Cl)c3)C#N	322
+O=S(=O)(c1cc(C)c(cc1[N+](=O)[O-])F)Nc2cccc3cccnc23	322
+O=S(=O)(Nc1cc([N+]([O-])=O)ccc1OC)c2ccc(Br)cc2Cl	69
+O=S(=O)(c1ccc(cc1Cl)Br)Nc2cncc(Br)c2	322
+O=S(=O)(Nc1ccccc1NS(=O)(=O)c2sc3ccccc3c2)c4ccc(cc4OC)[N+]([O-])=O	69
+O=S(=O)(NO)c1cc2c(CCN2C(=O)C)cc1Br	10100
+O=S(=O)(c1c(OC)ccc(Br)c1)Nc2cc(C(OC)=O)cnc2	322
+O=S(=O)(c1c(ccc(c1)Cl)OC)Oc2cc(C)cc(c2)O	681
+c1cc(ccc1)COc2cccc3n(S(=O)(=O)c4c(F)cccc4)ccc23	367
+O=S(=O)(NC(C(OC)=O)Cc1c[nH]c2c1cccc2)c3c(ccc(c3)Br)O	592
+O=S(=O)(c1cc(cnc1)Br)Nc2c(cc(F)cc2)F	4664
+c1cc(ccc1OS(=O)(=O)c2c(cc(c(Cl)c2)Cl)Cl)C=C(C#N)C#N	681
+O=S(=O)(N(c1sc(cn1)Cl)Cc2c(OC)cc(cc2)OC)c3c(F)cc(c(Cl)c3)F	4951
+O=S(=O)(Cl)c1c2c(c(Br)c(c1)CCOC(C)=O)cccc2[N+](=O)[O-]	31
+O=S(=O)(c1ccc(c(c1)C#N)Br)N(c2ncns2)Cc3ccc(cc3OC)OC	4951
+O=S(=O)(Cl)c1sc(C)c(c1)C(Nc2cc(F)c(cc2)F)=O	1899
+OS(c1ccc(O)c(c1)C(=O)O)=O	10101
+O=S(=O)(c1ccc(c(c1)Cl)Cl)n2c3ncccc3c(CC(OC)=O)c2C	276
+O=S(=O)(c1cc(c(cc1)F)Cl)N(c2ncc(cc2)F)Cc3ccc(cc3OC)OC	2023
+O=S(=O)(c1cc([N+](=O)[O-])c(cc1)NC(=O)OCC)NCc2ccccc2	71
+c1(S)cc(C)c(OCC(=O)OCC)cc1C	3066
+O=S(=O)(c1cc2c(NC(C2)=O)cc1)Nc3cnccc3	322
+O=S(=O)(c1ccc2c(CC(N2)=O)c1)N3c4c(CCC3)cccc4	416
+O=S(=O)(c1cc2c(cc1)cc(Br)cc2)c3ccc(cc3)OC	2290
+Fc1c(F)c(c(F)c(F)c1F)OS(=O)(=O)c2ccc3c(Br)cn(C)c3c2	681
+O=S(=O)(c1sc(C)cc1)Nc2nn(Cc3ccc(OC)c(c3)F)c4cccc(OC)c24	2878
+c1ccccc1NS(=O)(=O)c2cc(C#N)c(cc2)F	69
+O=S(=O)(Nc1ncc(cc1)F)c2ccc(F)c(C#N)c2	2165
+O=S(=O)(Nc1cc([N+](=O)[O-])ccc1)c2cc(F)c(cc2)Br	69
+c1cc(ccc1Cl)S(=O)(=O)NCC(O)CN2c3ccccc3CCc4c2cccc4	71
+O=S(=O)(NC(c1cnccc1)Cc2ccc(cc2)CC(OC)=O)c3ccc(cc3)Cl	71
+c1cc(ccc1C(CCCC(O)=O)c2cccnc2)CCNS(=O)(=O)c3ccc(cc3)Cl	71
+c1cc(ccc1S(=O)(=O)NCCc2cc(cc(CCC(OCC)=O)c2)Cc3ccc(cc3)F)Cl	71
+c1cc(ccc1)CC(OS(=O)(=O)c2ccc(cc2)Cl)C(=O)OC	10102
+c1cc(ccc1Cl)S(=O)(=O)N2CCCC(Nc3nccc(n3)-c4c(-c5cccc(C#N)c5)nc6sccn46)C2	92
+c1cc(ccc1S(=O)(=O)Nc2c(OC)ccc(c2)Br)I	69
+c1cc(ccc1C(Nc2cccnc2)=O)CNS(=O)(=O)c3ccc(cc3)I	71
+O=S(=O)(c1ccc(cc1)NC(=O)Nc2cc(C#N)ccc2)NCc3c(c(ccc3F)F)F	71
+O=S(=O)(c1ccc2c(c3cc(ccc3s2)S(=O)(=O)NC)c1)Nc4ccccc4S(=O)(=O)N	69
+O=S(=O)(n1c(-c2ccccc2)cc(C=O)c1)c3cc4c(ncs4)cc3	917
+O=S(=O)(Nc1ccc(c2c(c[nH]c12)C#N)C)c3cccc(c3)C#N	322
+O=S(=O)(Nc1c(cc(cc1)Cl)C(=O)c2ccncc2)c3cc(C#N)ccc3	69
+c1ccccc1COC2=COC(=CC2=O)CNS(=O)(=O)c3cc(C)ccc3	10103
+O=S(=O)(c1cccc(F)c1)n2c3c(c(C=O)c2)cnc(Br)c3	367
+O=S(=O)(Nc1ccc(cc1)C2C(C)(C)Cc3cc(ccc3N2)C(O)=O)c4cccc(F)c4	69
+O=S(=O)(NC(c1ccccc1-c2ccc(cc2F)F)C)c3cc(ccc3)OC	71
+O=S(=O)(c1c2c(cccc2)ccc1)n3ncc4ccc(cc34)[N+]([O-])=O	3123
+O=S(=O)(c1cccc2c1cccc2)n3ccc4c(cccc34)[N+](=O)[O-]	367
+O=S(=O)(Oc1cc(C)cc(O)c1)c2cccc3cnccc23	681
+O=S(=O)(Nc1cc(ccc1)-c2nn3c(cc2)nc(NC(C)=O)c3)c4cccc5c4ccnc5	69
+O=S(=O)(c1cccc2c1nsn2)Oc3cc(C)cc(O)c3	3854
+O=S(=O)(c1c(cccc1)Cl)N2c3cc(cnc3NCC2)I	4770
+O=S(=O)(c1c(Cl)cccc1)Nc2cccc(c2)OCCc3ccc(cc3)C#N	69
+O=S(=O)(c1ccccc1[N+]([O-])=O)Oc2cc(C)cc(O)c2	681
+O=S(=O)(Nc1c2ncccc2ccc1)c3c([N+](=O)[O-])cccc3	322
+O=S(=O)(c1ccccc1[N+]([O-])=O)N2CCc3ccccc23	416
+O=S(=O)(c1c(cccc1)[N+](=O)[O-])Nc2ccccc2CO	69
+c1cc(ccc1NS(=O)(=O)c2c(cccc2)[N+](=O)[O-])OC	69
+O=S(=O)(Nc1cccc2nccnc12)c3c([N+](=O)[O-])cccc3	322
+O=S(=O)(N(Cc1cc(Cl)cc(CN(S(=O)(=O)c2cnccc2)CC(C)C)c1)CC(C)C)c3c(c(Cl)cc(Cl)c3)O	1027
+c1ccccc1-c2n(S(=O)(=O)c3cnccc3)cc(C(=O)OC)c2F	1690
+O=S(=O)(n1c(-c2ccccc2)cc(c1)C=O)c3c(nccc3)Cl	1690
+O=S(=O)(Nc1c(cccc1)S(=O)(=O)Nc2ccc(cc2)OC)c3sccc3	1063
+O=S(=O)(Nc1ccc(F)c(c1)[N+](=O)[O-])c2cccs2	1063
+O=S(=O)(n1c2cccc(c2cc1)Br)c3sccc3	10104
+O=S(=O)(c1cccs1)Nc2cccc(-n3c4ccc(C(=O)NCc5cnccc5)cc4nc3)c2	1063
+O=S(=O)(Nc1c2ccccc2c(cc1)O)c3sccc3	1063
+c1ccccc1COC(=O)n2c3cc(c(Cl)cc3nc2-c4cc(c(OC)cc4)NS(=O)(=O)c5cccs5)Cl	1063
+c1ccccc1COCC2CN(CCN2)S(=O)(=O)c3sccc3	1147
+O=S(=O)(c1csc(c1C)C(=O)Nc2ccccc2C(O)=O)Nc3ccc(cc3)I	10105
+O=S(=O)(c1ncccc1)Nc2cc(OCCOC)cc3c2[nH]c(C(=O)OCC)c3	10106
+O=S(=O)(c1ncccc1)Nc2ccc(cc2)CO	10107
+c1cc(ccc1)CSc2cc(C#N)ccc2NS(=O)(=O)c3oc4c(c3)cccc4	2686
+O=S(=O)(c1sc(cc1)Cl)Nc2c3c(cccc3F)n(Cc4cc(C#N)ccc4)n2	2878
+O=S(=O)(F)c1cc(ccc1)N=Nc2cc(C=NO)c(O)c(c2)Cl	135
+C(#N)CCN(CCC#N)c1ccc(cc1)N=Nc2cc(S(=O)(=O)F)c(Cl)cc2	10108
+O=S(=O)(N(C)C)n1ccc(C(OC)=O)n1	4952
+CN(C)S(=O)(=O)n1cc(c(-c2ccccn2)n1)I	4952
+CN(C)S(=O)(=O)n1cnc2c1CCCC2	2752
+O=S(=O)(c1ccccc1O)N(C)C	5
+O=S(=O)(N(C)c1ccc(c2cc([nH]c12)C3=NCC(CCO)S3)C)c4cccs4	21
+O=S(=O)(N(C)c1ccc(c2c1[nH]c(C3=NCC(CC(=O)O)S3)c2)C)c4cccs4	3
+O=S(=O)(N(C)c1cccc2c1[nH]c(c2)C3=NCC(CC(=O)O)S3)c4cccs4	3
+O=S(=O)(c1ccccc1OC)N(c2cccc3c2[nH]c(c3)C(=S)N)C	742
+O=S(=O)(N(C)c1cc(cc(N(C)CCC)n1)C(=O)O)C	1
+O=S(=O)(c1ccc(cc1)Cl)N(C2C(CCCC2)C)Cc3ccc(cc3)C(O)=O	1
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)S(=O)(=O)N(C)C4C(CCC4)C(NO)=O	293
+O=S(=O)(c1cc(cc(CC)c1)Cl)N(c2cc3c4ccccc4n(CC)c3cc2)CC(=O)O	1818
+c1cc(ccc1S(=O)(=O)N(CC)CC)N	0
+c1ccc2c(c3c(cccc3)n2CCCN(CC)S(=O)(=O)c4ccccc4[N+](=O)[O-])c1	935
+O=S(=O)(c1ccccc1[N+](=O)[O-])N(CCC)CCCn2c3c(cccc3)c4c5CCC(=O)c5ccc24	935
+O=S(=O)(N(CC=O)c1c(cc2c(C(NC)=O)n(-c3ccc(C)cn3)nc2c1)C4CC4)C	24
+O=S(=O)(c1c(Cc2c(C)cc(C)cc2)sc3c1cccn3)Nc4onc(C)c4Cl	4953
+c1cc(ccc1)-c2c(cc(cc2)C(OCC)=O)CNCC	1385
+O=S(=O)(c1ccc(cc1)Cl)N(Cc2csc(c2Cl)C(O)=O)C	1
+O=S(=O)(N(Cc1cc(Cl)c(cc1)C(F)(F)P(O)(O)=O)Cc2ccccc2)c3c(C(=O)N)cccc3	228
+c1cc(ccc1CN(S(=O)(=O)c2ccc(cc2)O)CC(C)C)Cl	5
+O=S(=O)(c1c(O)c(Cl)cc(c1)Cl)N(Cc2ccc(cc2)CNCc3ccc(cc3)F)Cc4ccc(cc4)F	42
+c1cc(ccc1)OC(=O)Nc2c(ccc(c2F)N(C)S(=O)(=O)CCC)F	90
+c1(cc(cc([N+]([O-])=O)c1N)C)NCCO	2252
+O=S(=O)(N(C)c1cccc2cc(C(N)=S)[nH]c12)c3cccs3	742
+O=S(=O)(N(c1c2[nH]c(cc2ccc1)C=3SC(CN=3)CC(=O)Nc4[nH]nnn4)C)c5ccccc5OC	2004
+O=S(=O)(N(c1c2[nH]c(cc2ccc1)C=3SC(CC(=O)O)CN=3)C)c4ccccc4OC	3
+O=S(=O)(c1cccs1)N(c2c3[nH]c(C(NCC(C)(SCc4ccccc4)CCO)=O)cc3ccc2)C	81
+O=S(=O)(N(c1c2c(nccc2)c(O)c(n1)C(=O)NCc3ccc(F)cc3SC)C)c4ncn(C)c4	658
+O=S(=O)(N(c1nc(cc(c1)C(=O)O)Cl)C)C	1
+O=S(=O)(CCC)N(c1c(F)c(c(cc1)F)C(O)=O)C	1
+O=S(=O)(CC)N(Cc1cccnc1)c2cccc(c2)C=Cc3ccccc3	1521
+O=S(=O)(Nc1ccncn1)c2ccc(c(F)c2F)OC3CCCC3c4ccnn4C	10109
+O=S(=O)(c1c(sc2ncccc12)Cc3cc4c(OCO4)cc3C)Nc5c(c(C)no5)Cl	4953
+c1(OC)nc(nc(OC)n1)Oc2cccc(c2C(NS(=O)(=O)C)=O)Cl	10110
+O=S(=O)(NC(=O)c1cc([N+]([O-])=O)ccc1)C	2909
+O=S(=O)(C)NC(=O)c1nc(ccc1)Cc2c(n(S(=O)(=O)c3ccccc3)c4cc(OC)ccc24)-c5ccccc5	3007
+c1cc(ccc1-n2ncc(c2C)C(=O)NC(c3cc(NS(=O)(=O)C)cnc3)CCC)Cl	10111
+O=S(=O)(C)NC(c1ccc2c(c1)C(C)(C)CC(c3cc(ccc3)C(=O)Nc4ccccc4)N2)=O	258
+O=S(=O)(Nc1c(Oc2ccccc2OC)c(Cl)nc(-c3ncccn3)n1)CC	570
+CC(C)(CS(=O)(=O)N)CO	59
+O=S(=O)(Cc1cccc(Nc2ncnc(n2)-c3c(ccc(c3)C=O)OC)c1)N	10112
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCN(C(CC(C)C)=O)C3)C(N)=N1	4954
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCCN3C(NCC)=O)C(N)=N1	4954
+O=S(=O)(N)OCC1C(O)CC(n2ccc3c2ncnc3NC4c5ccccc5CC4)C1	59
+c1cc(ccc1C(=O)c2ccc(c(S(=O)(=O)N)c2)C)OC	222
+O=S(=O)(N)c1ccc(Cl)cc1CCN	524
+O=S(=O)(c1c(c(SCc2ccccc2)cc(C(=O)O)c1)Cl)N	1128
+O=S(=O)(c1c(cccc1I)O)N	5
+O=S(=O)(c1c(cccc1)S(=O)(=O)N)NC(c2ccc(cc2)I)=O	258
+O=S(=O)(c1ccc(cc1CC)C(N)=NO)N	253
+c1cc(ccc1N2C(C(OCC2)C(O)C3=Nc4c(S(=O)(=O)N3)cc(C#N)cc4)=O)C	10113
+O=S(=O)(N)c1cc(c(cc1)Oc2cc(c(SC)cc2)C)C(=O)NCC(C)O	14
+O=S(=O)(c1c(ccc(c1)C)NS(=O)(=O)CCc2ccc(cc2)Br)N	80
+O=S(=O)(NC(Nc1nc(CC)c(Br)s1)=O)c2cc(sc2)C	10114
+O=S(=O)(c1ccc(Oc2c(cc(F)cc2)F)c([N+](=O)[O-])c1)N	46
+O=S(=O)(NC(Nc1cc(cc(NCCF)n1)SC)=O)c2sc(c(c2)C)CCOC	4746
+O=S(=O)(N)c1cc(C(=O)O)c(Oc2ccc(c(C)c2)SC)cc1	1
+c1cc(ccc1CN(C(CC(=O)C(NS(=O)(=O)c2cc(c(OC)cc2)C(NCC3CCCN3CC)=O)=O)=O)OC)F	2623
+O=S(=O)(c1cc(c(OCc2ccc(cc2)OC)cc1)C(O)=O)N	1
+O=S(=O)(N)c1cc(CNCC(C)O)c(Oc2cc(c(SC)cc2)C)cc1	162
+O=S(=O)(N)c1c(c(C)cc(c1)N)OC	0
+c1cnccc1C=Cc2cc(ccc2)Nc3cc(ccc3)S(=O)(=O)N	230
+c1cc(ccc1)S(=O)(=O)n2cc(cc2)C(c3ccc(c(S(=O)(=O)N)c3)Cl)=O	787
+O=S(=O)(N)c1c(ccc(c1)C#N)NC(C(O)C2OCCN(c3ccc(cc3)C)C2=O)=O	33
+c1(nc(nc(OC)c1)NC(NS(=O)(=O)c2c(OC)ccc(CC#N)c2)=O)OC	1777
+O=S(=O)(N)c1ccc2N(CCc2c1)CC3CCCCC3	15
+O=S(=O)(N)c1cc2c(cc1O)OCCC2CNC(N3CC(=C(CC)C3=O)C)=O	5
+O=S(=O)(N)c1c(cc(cc1)C#N)CC	180
+O=S(=O)(N)c1cc(c(cc1)OCc2ccc(cc2)OC)C(OC)=O	657
+O=S(=O)(N)c1cc(c(Oc2cc(c(SC)cc2)C)cc1)C(OC)=O	46
+O=S(=O)(N)c1cc2c(N(Cc3ccc(Cl)c(Cl)c3)CC2)cc1	162
+O=S(=O)(N)c1ccc2N(C(c3ccc(Cl)c(Cl)c3)=O)CCc2c1	448
+O=S(=O)(c1c2c(ccc1)c3nc(O)c(O)nc3cc2)N	10115
+O=S(=O)(c1c(cccc1)S(C)=O)N	2571
+c1cc(ccc1CCNC(NS(=O)(=O)c2ncc(cc2)C)=O)-n3cc(nc3CC)-c4ccccc4	1777
+O=S(=O)(Nc1nc(SCc2c(c(F)ccc2)F)nc(OC)c1)c3c(C)nc(s3)N	570
+O=S(=O)(N1C(CC)CN(C(Cc2ccc3ccccc3c2)C(=O)OC)CC1)c4ccccc4[N+](=O)[O-]	15
+O=S(=O)(c1ccc(cc1)C)N2C(CC(=O)NCCc3ccc(cc3)CO)C(NC=C2)=O	9
+O=S(=O)(N1C(C(OCC)=O)CN(CC1)Cc2ccc(cc2)Br)c3ccc(cc3)OCC#CC	131
+C(Cc1cc2c(cccc2)cc1)(C(OC)=O)N3CC(CC)NCC3	1385
+c1cc(ccc1)S(=O)(=O)N2C(CN(CC2)C(OCc3ccccc3)=O)CCC=O	24
+c1cc(ccc1C(=O)OC)C(C)n2cc(CC3N(C=CNC3=O)S(=O)(=O)c4ccc(Cl)c(Cl)c4)nn2	642
+c1cc(ccc1)-c2cc(ccc2)C(C(=O)NC3C(CN(S(=O)(=O)c4ccccn4)C(CC3)C)O)CC(C)C	9
+c1cc(ccc1N)S(=O)(=O)N2CCC(CC2)NC(=O)C=C	0
+C1CN(CCC1c2ccc(cc2)CC(N)C(=O)OC)S(=O)(=O)C	191
+O=S(=O)(Nc1cc(OC)nc(n1)SCc2c(c(F)ccc2)F)N3CCC4(OCCO4)CC3	570
+O=S(=O)(N1CCCc2ccccc12)c3cc(N4C(=O)Nc5c(c(ccc5)C(=O)O)C4=O)c(Cl)cc3	1
+C1CN(CCN1S(=O)(=O)c2ccc(c(N)c2)OC)C	0
+O=S(=O)(N1CCN(CC1)c2ccc(cc2)N)CC	0
+CC1(C)N(N)CCN(C1)S(=O)(=O)C	1651
+O=S(=O)(c1cc(Cl)ccc1OC)N2c3cc(ccc3OCC2)C(O)=O	1
+c1(C)sc(nc1-c2ccc3NCCc3c2)NC(=O)Cc4ccc5OCOc5c4	4955
+O=S(=O)(c1cc(ccc1)C)N2CCCc3ncc(cc23)NC(C(C)c4ccccc4)=O	469
+c1cc(ccc1C(Nc2ccc3CCCN(c3c2)S(=O)(=O)c4c(OC)ccc(c4)Cl)=O)CC(=O)OC	67
+c1(c([nH]c2c1ccc(c2)F)-c3cnccc3)C#N	4563
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(Cl)c(-n4cccc4C#N)ccc3Cl	2843
+O=S1(=O)NC(Nc2c1cc(cc2)NS(=O)(=O)C)=O	10116
+c1cc(ccc1OC)CSc2scc(C=3CC(N(C(=O)OCC=C)CC=3)COC(N)=O)n2	10117
+c1ccccc1COC(=O)c2cn(C(N)=O)c3ccccc23	10118
+c1c(cc(cc1-n2cccc2C#N)C(=O)OC)COC(C)=O	2843
+c1(nc(nc(OC)n1)NC(NS(=O)(=O)c2cscc2C)=O)OC	1722
+O=S(=O)(NC(=O)c1cccc(N)c1)C	0
+c1(C)cc(cc(C)c1Cn2c3c(cc2C(NS(=O)(=O)c4cc(N)ccc4)=O)ccc(C#N)c3)C	0
+O=S(=O)(c1nc(ccc1)-c2ccc3c(c2)C(=NNc4nc5c(s4)cccc5)CCC3)NC(C)=O	1713
+O(C)c1nc(nc(OC)c1[N+]([O-])=O)NCCS(=O)(=O)NC(C)C	96
+O=S(=O)(NC(C1(CC1)c2ccc(cc2)-c3ccc(cc3)-c4onc(C)c4Nc5cccc(n5)-c6ccccc6)=O)C	3215
+C(C)C(CNc1ccc(C)cc1C)N	10119
+CC(C)Oc1ccc(cc1S(=O)(=O)NC(Cc2c[nH]c3c2cccc3)CO)Br	88
+O=S(=O)(c1ccc(cc1)OC)N2C(c3c(cccc3)-c4ccc(cc24)Cl)C	4956
+O=S(=O)(NC(=O)c1ccc(-c2ccccc2)nc1N3CC(C)CC3(C)C)c4c(nccc4)O	140
+O=S(=O)(c1cccc(OC)c1)N2c3cc(F)ccc3-c4c(cccc4)C2C	4956
+c1cc(ccc1CC(=O)O)CC(NS(=O)(=O)c2ccc(cc2)Cl)c3cnccc3	4
+c1cc(ccc1C)S(=O)(=O)OCCCCCS(=O)(=O)NC	36
+O=S(=O)(NC)CCCCN=[N+]=[N-]	558
+O=S(=O)(NC)CCCCN	18
+O=S(=O)(NC)Cc1ccc(cc1)Nc2nc3ccc(cc3c(Nc4ccccc4)n2)OC	744
+O=S(=O)(NC)Cc1ccc(cc1)Oc2cc(nc(C)n2)CNc3ncc(cn3)Cl	96
+O=S1(=O)N(C(c2ccc3c(c2N1)nccc3)c4ccc(cc4C)F)C	10120
+c1cc(ccc1[N+]([O-])=O)Oc2cccc(S(=O)(=O)NC)c2	2026
+O=S(=O)(Cl)c1ccc2c(c3cc(ccc3s2)S(=O)(=O)NC)c1	243
+O=S(=O)(NC)c1cc(Oc2ccccc2)ccc1	304
+CC(C)S(=O)(=O)NC1C(O)(c2ccc(cc2)F)CCC1	1035
+CC(C)S(=O)(=O)NC1C(CCC1)(c2ccc(cc2)Oc3ccccc3)O	1035
+O=S(=O)(Nc1cc2c(cc1)nc(cc2)NCc3c(OC)cccc3)NC4CC4	1630
+C1CN(CCC1NS(=O)(=O)c2ccc(cc2)N)C(=O)OCc3ccccc3	0
+O=S(=O)(NC1Cc2c(cc(cc2)-c3cc(ccc3)N)C1)C(C)C	0
+O=S(=O)(C(C)C)NC1Cc2c(cc(-c3c(nccc3)F)cc2)C1	1617
+O=S(=O)(NC1Cc2ccc(-c3cc(C#N)ccc3)cc2C1)C(C)C	134
+O=S(=O)(NC1Cc2c(C1)cc(cc2)-c3cc([N+]([O-])=O)ccc3)C(C)C	134
+O=S(=O)(NC1Cc2ccc(-c3cccc(CN)c3)cc2C1)C(C)C	107
+O=S(=O)(c1ccccc1Cl)NCC2=CC(=O)C(O)=C(C(O)=O)N2C	4957
+c1ccccc1COC2=C(C=O)OC(=CC2=O)CNS(=O)(=O)c3cc(C)ccc3	3124
+c1cc(ccc1)S(=O)(=O)C(C2=CC(C(OCc3ccccc3)=C(C(=O)O)N2C)=O)NS(=O)(=O)c4cc(C)ccc4	10121
+O=S(=O)(c1cccc(OC)c1)NCCCO	21
+O=S(=O)(NCCCC(N)=S)C	199
+O=S(=O)(NCCCCCC(Nc1ccccc1)=O)C	33
+O=S(=O)(c1cccc(N)c1)NCCN(C)C	0
+O=S(=O)(NCCOC)Nc1c(Oc2c(ccc(OC)c2)Cl)c(Cl)ncn1	570
+O=S(=O)(Nc1c(c(OCCO)ncn1)Oc2c(ccc(OC)c2)Cl)NCCOC	145
+O=S(=O)(c1cc(C(=NO)N)ccc1O)NCCc2c(OCC(=O)O)cc(cc2)-c3ccccc3S(=O)(=O)C	253
+O=S(=O)(c1cc(ccc1OC)C#N)NCCc2c(O)cc(-c3c(cccc3)S(=O)(=O)C)cc2	241
+O=S(=O)(NCCc1c(OCC(=O)O)cc(cc1)-c2ccccc2S(=O)(=O)C)c3cc(C#N)ccc3O	3
+O=S(=O)(NCCc1c(cc(cc1)-c2ccccc2S(=O)(=O)C)OCC(=O)OCC)c3cc(C#N)ccc3O	5
+CC(C)c1ccc(c(c1)OCC(=O)OCC)CCNS(=O)(=O)c2c(O)ccc(C#N)c2	5
+O=S(=O)(NCCc1ccc(C(C)C)cc1OCC(=O)O)c2c(OC)ccc(C#N)c2	3
+c1cc(ccc1OC)CN(Cc2c3ccccc3ccc2)S(=O)(=O)c4cc(c(s4)Cl)Cl	692
+O=S(=O)(NCc1cnccc1)c2cc(C=CC(O)=O)ccc2	127
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)NO	2291
+c1cc(ccc1)CN(Cc2sc(cc2)-c3cccc(S(=O)(=O)C)c3)S(=O)(=O)c4cc(ccc4)Cl	692
+O=S(=O)(c1c(c(Cl)ccc1)Cl)Nc2c(nc(Br)cn2)OCc3cnccc3	1335
+c1cc(ccc1C)S(=O)(=O)Nc2ccc(cc2C)Oc3cc(C(=O)O)c(cc3)NS(=O)(=O)c4ccc(cc4)C	1
+O=S(=O)(Nc1ccc(Cl)cc1C(O)=O)c2cccc3nsnc23	1
+O=S(=O)(c1cc(OC)c(cc1)OC)Nc2c(C(c3c(Cl)cccc3)O)cc(Cl)cc2	488
+O=S(=O)(C)Nc1c(Oc2c(cccc2)Cl)cccc1CC(=O)O	3
+O=S(=O)(CCC)Nc1c(Cl)c(c(cc1)Cl)N	4946
+O=S(=O)(c1ccccc1)Nc2cc(-c3c(CC(OC)=O)c4c(cccc4)[nH]3)ccc2Cl	2155
+c1cc(ccc1-c2c(NS(=O)(=O)c3ccccc3Cl)nccn2)CO	696
+O=S(=O)(Nc1ccc(c(c1F)C(c2c[nH]c3ncc(cc23)-c4ccc(C(NCC)=O)nc4)O)F)CCC	1235
+O=S(=O)(c1c(F)ccc(c1)F)Nc2cccc(c2F)CO	98
+n1cccnc1-c2nc(c(c(NS(=O)(=O)CC)n2)Oc3ccccc3OC)OCCO	145
+O=S(=O)(Nc1cccc(OC=2C(=C(Nc3c(cc(I)cc3)F)N(C(=O)C=2)C)C(N)=O)c1C)CC	10122
+n1cc(cnc1OCCOc2ncnc(NS(=O)(=O)NCCOC)c2Oc3cc(OC)ccc3Cl)Br	482
+C(C)N(CC)CC=Cc1cc(ccc1S(=O)(=O)Nc2ccc3c(c2C(O)=O)cc4CCCn34)F	1
+CC(C)NCCOc1c(NS(=O)(=O)C)cc(cc1)N	0
+O=S(=O)(C1CC1)Nc2c(ccc(c2)C(=O)O)F	1
+O=S(=O)(Nc1c2c(ccc1)cccc2)c3cccc(C=CC(NO)=O)c3	2291
+c1cc(ccc1F)S(=O)(=O)Nc2c3c(nc(NC4c5c(CC4)cccc5)cc3)ccc2	554
+O=S1(=O)Nc2c(-c3c1cc(cc3)C)ccc4c2nccc4	1763
+O=S(=O)(Nc1c2ncccc2ccc1)c3c(cccc3)N	0
+O=S1(=O)c2ccccc2-c3c(c4c(cc3)cccn4)N1	1763
+O=S(=O)(c1ccccc1)Nc2c(ncc(-c3ccc4c(c3)N(Cc5ccccc5)C(CO4)=O)c2)Cl	1806
+O=S(=O)(c1cc(OC)c(OC)cc1)Nc2cc(ccc2Cl)C(C)O	4247
+O=S(=O)(CCC)Nc1cc(c(cc1)F)C=O	39
+c1(F)cc(cc(F)c1)NS(=O)(=O)c2cnc(c(C#N)c2)Cl	1014
+O=S(=O)(Nc1cc(F)ccc1SCc2ccccc2C(=O)O)c3cc4c(s3)cccc4	1
+O=S(=O)(C)Nc1cc(Nc2oc(cn2)-c3ccc(C#N)c(F)c3)ccc1	4149
+O=S(=O)(Nc1cccc(c1)Oc2c(C#N)c(cc(F)c2)F)N(C)C	46
+O=S(=O)(Nc1cc(OC)nc(n1)SCc2c(c(F)ccc2)F)N3CCC(CC3)=O	97
+O=S(=O)(Nc1cccc(Oc2cc(F)cc(Nc3c(F)cc(cc3)I)c2C(N)=O)c1)N(C)C	216
+O=S(=O)(c1ccc(Br)cc1Cl)Nc2cc(N)ccc2OC	0
+O=S(=O)(Nc1cc(C=O)ccc1Cl)c2cc(OC)c(OC)cc2	39
+c1cc(ccc1)-c2c(c3c(NS(=O)(=O)c4cc(ccc4)Cl)cc(nc3s2)C)-c5cc(OC)ccc5	268
+O=S(=O)(Nc1cc2c(CC(=O)O)c[nH]c2cc1)C	4
+O=S(=O)(c1cc(c(Cl)s1)-c2cccc(OC)c2F)Nc3ccc(C(O)=O)c(c3)O	1074
+O=S(=O)(c1cccc2nsnc12)Nc3c(C(=O)NCC(c4cc(Cl)c(cc4)Cl)C)cc(Cl)cc3	14
+O=S(=O)(Nc1ccc(-c2c(ccc(CC(=O)O)c2)OC)c(CN(C(=O)OCc3ccccc3)CC)c1)C	3
+O=S(=O)(c1cc(c(Cl)s1)-c2c(O)ccc(F)c2)Nc3cc(c(cc3)C(O)=O)O	1
+O=S(=O)(Nc1ccc(c(O)c1)C(=O)OC)c2cc(c(Cl)s2)-c3c(O)ccc(F)c3	1074
+O=S(=O)(Nc1cc(CO)c(cc1)F)CCC	98
+O=S(=O)(Nc1c(c(C(c2c[nH]c3c2cc(cn3)-c4ccc(C(NCC)=O)nc4)=O)c(cc1)F)F)CCC	814
+O=S(=O)(c1c(cc(cc1)O)CC(NCC)=O)Nc2ccc3COB(c3c2)O	5
+O=S(=O)(Nc1ccc2COB(c2c1)O)c3ccc(cc3CC(=O)O)OC	3
+O=S(=O)(Nc1ccc2c(c1C(O)=O)CCCC2)c3ccccc3N	0
+O=S(=O)(Nc1cccc(C(O)=O)c1)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3	6
+O=S(=O)(Nc1cccc(c1C)Oc2c(c(Nc3c(cc(cc3)I)F)cc(F)c2)N)CC	0
+O=S(=O)(Nc1cc(Oc2c(C#N)c(cc(F)c2)Nc3c(F)cc(cc3)I)ccc1)N(C)C	275
+O=S(=O)(c1ncccc1)Nc2cccc3cc(n(COC)c23)C(=O)NCC(SCc4ccccc4)C(OC)OC	81
+O=S(=O)(c1c(cccc1)N)Nc2cccc3nccnc23	0
+O=S(=O)(Nc1ccccc1Oc2ccc(Cl)cc2Cl)c3ccc(cc3)C(=O)NCC(O)=O	3
+O=S(=O)(Nc1cncc(Cl)c1O)c2cc(c(nc2)OC)C#N	10123
+O=S(=O)(C)Nc1c2cc(ccc2n[nH]1)N	0
+c1cc(ccc1)-c2cc(S(=O)(=O)Nc3ncc(Cl)cc3OC)cnc2	89
+c1cc(ccc1)C2CCN(C2)c3c4ccc(S(=O)(=O)Nc5nccs5)cc4ccn3	43
+O=S(=O)(C)OC1C(CCCC1)Nc2nc3c(s2)cc(Cn4cnc5c4nccc5)cc3	3728
+O=S(=O)(C(CCN=[N+]=[N-])C(=O)O)O	4
+O=S(=O)(c1cc(c(cc1)OC)CCC(=O)OCCS(=O)(=O)c2ccc(cc2)C)Cl	243
+O=S(=O)(c1ccc(F)c([N+]([O-])=O)c1)Cl	240
+O=S(=O)(Cl)c1cc([nH]c1)C(=O)c2c(nccc2)Cl	4958
+O=S(=O)(Cl)c1c(c(cc(c1)[N+]([O-])=O)C)F	240
+c1(Cl)c(F)c(c(c(Cl)c1F)F)S(=O)(=O)Cl	240
+O=S(=O)(Cl)c1cc(C(N)=O)c(NC(C)=O)s1	2508
+O=S(=O)(c1cc(Oc2c(cc(cc2Cl)CC3C(=O)NC(=O)S3)Cl)ccc1OC)Cl	243
+O=S(=O)(Cl)c1ccc(Br)cc1C	243
+O=S(=O)(c1ccc(cc1CCC)Br)Cl	243
+O=S(=O)(O)c1ccc(OC)cc1OC	10124
+O=S(=O)(Cl)c1cc(c(F)cc1)C(O)=O	240
+O=S(=O)(Cl)c1csc(c1C)C(O)=O	10125
+O=S(=O)(c1cc(c(C)s1)C(=O)O)Cl	2206
+O=S(=O)(c1ccc(Cl)c2c1CCN(C(C)=O)C2)Cl	243
+O=S(=O)(Cl)c1c(cc2CCN(C(=O)C)c2c1)Br	243
+O=S(=O)(c1cc(cc(Br)c1F)C(=O)O)Cl	240
+c1(cc(cc(C)c1S(=O)(=O)Cl)OC)C	243
+O=S(=O)(Cl)c1c2ccncc2cc(Br)c1	240
+O=S(=O)(c1ccc2CC(NC(=O)C)Cc2c1)Cl	243
+O=S(=O)(Cl)c1ccc2c(c1)CCN(C(C)=O)CC2	240
+c1cc(ccc1-c2cnc(C)o2)S(=O)(=O)Cl	240
+c1cc(ccc1-n2ccnc2)S(=O)(=O)Cl	240
+c1cc(ccc1CCCCCCCCCCCCCCCCCC)S(=O)(=O)Cl	243
+O=S(=O)(c1ccc(cc1)N2C(=O)C(N3CCc4c3ccc(F)c4Cl)CC2)Cl	240
+c1cc(ccc1S(=O)(=O)Cl)NC(OCC)=O	243
+c1cc(ccc1S(=O)(=O)Cl)NC(=O)c2ccccn2	240
+O=S(=O)(c1c(CCC)ccc(c1)S(=O)(=O)c2ccccc2)Cl	240
+O=S(=O)(c1cc(-c2sc(nc2C)NC(=O)NCC)ccc1OC)Cl	243
+O=S(=O)(Cl)c1cc(Br)ccc1O	243
+O=S(=O)(c1cc([N+]([O-])=O)ccc1Br)Cl	243
+O=S(=O)(c1sc(CNC(=O)c2ccc(cc2)Cl)cc1)Cl	2508
+O=S(=O)(c1c(C)ccc(C(O)=O)c1)Cl	243
+O=S(=O)(Cl)c1c(ccc(CC(OC)=O)c1)C	240
+O=S(=O)(c1c2c(n(c1)S(=O)(=O)c3ccc(cc3)C)ccc(c2)F)Cl	10126
+O=S(=O)(Cl)c1c(SC)ccc(C2CC(O)=C(C(=O)CC)C(=O)C2)c1	243
+O=S(=O)(Cl)c1cc(ccc1Cl)CC	243
+O=S(=O)(c1ccc(cc1)Cc2ccc(cc2)[N+]([O-])=O)Cl	240
+O=S(=O)(Cl)c1c(ccc(c1)C(O)=O)Cl	243
+O=S(=O)(c1c(OC)ccc(F)c1)Cl	243
+O=S(=O)(c1c(F)ccc(c1)[N+](=O)[O-])Cl	243
+c1cc(ccc1N2CCCC2)-c3ccc(cc3)S(=O)(=O)Cl	243
+O=S(=O)(c1cc(C(OC)=O)n(C)c1)Cl	4958
+O=S(=O)(c1c(N)ncc(Br)c1)Cl	10127
+O=S(=O)(c1cc2c(O)ncc(c2cc1)Cl)Cl	240
+O=S(=O)(c1cc(C)c(cc1)OCC(=O)OCC)Cl	240
+O=S(=O)(Cl)c1cc(c(cc1)O)-c2nc(O)c3n(C)nc(c3n2)CCC	240
+c1cc(ccc1C(CF)C)S(=O)(=O)Cl	243
+c1cc(ccc1S(=O)(=O)Cl)C2(CCOCC2)C	243
+c1cc(ccc1S(=O)(=O)Cl)CC(O)=O	243
+c1cc(ccc1CCCF)S(=O)(=O)Cl	243
+c1cc(ccc1CNC(=O)c2ccc3n(ccn3)c2)S(=O)(=O)Cl	240
+c1(F)cc(cc(F)c1Oc2ccc(cc2)S(=O)(=O)Cl)C=C(C)C(OCC)=O	243
+O=S(=O)(Cl)c1c(Br)ccs1	2206
+C(O)(c1c2c(ccc1OC)cc(-c3cc(ccc3)OC)cc2)=O	1775
+C(c1c(Cl)nc2c(CCCC2)c1Cl)(O)=O	3070
+c1c(Br)c(cc(C)c1F)C(=O)O	1775
+c1(ccc(OC)c2c1cc(C)o2)C(=O)O	1775
+c1ccccc1COC(=O)c2ccc(c(F)c2)C(=O)O	1775
+c1cc(ccc1F)CNC(=O)c2c(O)c(c(nc2)C(O)=O)OCc3ccccc3	10128
+c1cc(ccc1)CN2CC(CCCC2)NC(=O)N3CCC4N(S(=O)(=O)O)C(C34)=O	10129
+OC(C(=O)N)CC(C([N+](=O)[O-])C)CC	1004
+S(c1cc(Oc2c(nccc2)CC)c(nc1)C(N)=O)c3ccccn3	862
+O=C(N)c1cnn2cc(cc2c1Cl)Br	1869
+c1(ccc2c(c(ccc2)Cc3c(cc(C(=O)OC)cc3)OC)c1)C(=O)O	10130
+O=C(N)c1c(C)cc(cc1Br)F	2265
+c1(c(c(Cl)ncc1)C(=O)N)C	4831
+c1(c(ccc(c1I)C)C(=O)O)F	3125
+c1(ccc(Cl)nc1C(=O)N)[N+]([O-])=O	862
+c1(ccc(C(=O)N)c(F)c1C)Br	2681
+c1(cccc(I)c1F)C(=O)O	3125
+O=S(=O)(O)c1cc2c(cc1)N(C)CCC2	3126
+c1(cc(OC)c([N+]([O-])=O)c(c1)F)C(=O)O	3125
+O=S(=O)(O)c1c2c(ccc1OC)c(Cl)ncc2	3126
+c1ccccc1-n2cc(C(=O)N)c(N)n2	4959
+c1ccccc1C(c2ccccc2)(CCC(C)(C)N(C)Cc3ccccc3)C(N)=O	1004
+C1CC(CCN1Cc2ccccc2)(Nc3cc(C)ccc3)C(=O)N	1004
+c1cc(ccc1-c2nsc(NC(NCCCN3CCCC3)=O)c2C(=O)N)[N+](=O)[O-]	1856
+c1cc(ccc1-c2nc3ccc(cn3c2)I)C=O	3243
+c1cc(ccc1C2(c3ccc(cc3)F)CCC(CC2)N4CCC(CC4)(C(N)=O)Nc5ccccc5)F	1004
+c1cc(ccc1F)C(C(=O)N)N	2006
+c1cc(ccc1-c2oc(c(C(OCC)=O)c2)C)O	10131
+c1cc(ccc1N2C(C(=CC=C2CC)C(O)=O)=O)F	10132
+C1CN(CCC1(Nc2ccc(cc2)F)C(N)=O)C(=O)OCC	2006
+c1cc(ccc1OC)-n2ncc(C(N)=O)c2N	4959
+O=S(=O)(c1ccc(c(c1)N)N)O	3126
+c1ccccc1C(c2ccccc2)(CCCN(C)Cc3ccccc3)C(=O)N	1004
+c1ccccc1C(c2ncccc2)C(=O)N	2006
+c1ccccc1CN(CCC(c2ccccc2Cl)(CCN3CCCCC3)C(N)=O)C(C)C	1004
+n1c(c(c(s1)N)C(=O)N)-c2cc([N+]([O-])=O)ccc2	1856
+n1c(c(ccc1F)[N+]([O-])=O)C(=O)N	862
+c1cc(ccc1Oc2cc(cnc2C(N)=O)Sc3ncccn3)F	862
+O=S(=O)(c1c(cc(c(c1)[N+](=O)[O-])OC)OC)O	31
+c1cc(ccc1)C(=O)Nc2ccc(S(=O)(=O)O)c3ccccc23	50
+O=S(=O)(c1ccc(cc1)Oc2ncc(Br)s2)O	4960
+c1cc(ccc1S(=O)(=O)O)OCC#Cc2ccc(cc2)Cl	476
+[N-]=[N+]=NC(C)CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C	298
+Oc1c(C(C(OC)=O)=NOC)cccc1	4910
+c1(c(OC)c(Br)cc(Br)n1)C(=O)OC	10133
+c1(ccccc1CC(c2sccc2C)N(C=O)C)OC	297
+N#Cc1ccc(SC)c(C#N)c1C	10134
+COc1c(Br)cc(cc1C)Br	297
+O(C)c1c(I)c(C)c(Cl)cc1C(=O)C	297
+c1(ccc(nc1N)OC)Br	10135
+c1cc(C(=O)OC)c2cc(C)oc2c1OC	3127
+N1=NN(c2cccc(OCC)c2C)C(=O)N1C	3091
+c1(ccccc1Cl)Oc2ccc(OC)c(C=O)c2	297
+c12c(Nc3cccc(SC)c3S1)cc(OC)cc2	297
+O=C1C=Cc2cc(-c3cnccc3)ccc2N1C	10136
+COc1cc2c(cc1)n(cc2CC(OC)=O)C	10137
+c1c(C)c(c(cc1)C)OC	297
+c1c(cc([N+]([O-])=O)c(C(=O)OC)c1)Br	3127
+c1c(OC)cc2OCCOc2c1	297
+c1cc(N)cc2c1ccc(OC)c2	297
+c1cc(ccc1)C(c2c(cn(C)c2C)NC(CCl)=O)=O	10138
+c1cc(ccc1)CNC(=O)C(COC)NC(=O)OCC	1541
+c1ccccc1Oc2cccc(c2OC)C	297
+c1cc(ccc1OCCCCCCCCN=[N+]=[N-])N=Nc2ccc(O)c(c2)C(OC)=O	3127
+COc1ccc(c(c1)O)-c2nnc(cc2)Cl	297
+O(C)c1ccc(F)c2c1cccc2	297
+c1ccccc1COc2c(C)c(OC)c(cc2)C=O	297
+c1cc(ccn1)-c2nn(C)cc2	4961
+c1n(C)ncc1[N+]([O-])=O	4961
+C12C(C3(CCC(CC3CC1O)OCCO)C)CC(O)C4(C)C2CCC4C(C)CCC(OC)=O	10139
+c1cc(ccc1COC(=O)N2CCC(N=[N+]=[N-])C2)[N+]([O-])=O	298
+C1C(CN1C(c2nnc(-c3ccc(cc3)OC)o2)=O)Oc4c(cc(C=O)cc4)Cl	624
+O=S(=O)(OC1CN(C1)c2c(c3c(C(C(=CN3C4CC4)C(O)=O)=O)cc2F)F)C	108
+C1N(CC1SC(=O)C)c2scc(C(=O)NC3CN(CC3)C(=O)OCc4ccc(cc4)[N+]([O-])=O)n2	2128
+C1CC(CCC1)CCCCCCCCCCCCOCC(COCCOCCO)OC	967
+c1ncn(CC(c2ccc(c(c2)Cl)Cl)CC=C)c1	1193
+c1(C)c(ccc(OCC)c1)[N+]([O-])=O	4962
+O(c1ccc(Cl)c(C)c1C(=O)c2c(C)cc(OC)c(OCC)c2OC)C	4962
+[N-]=[N+]=NCC1C(O)c2c(O1)c(Cl)cc(c2)Br	133
+c12cccc(OCC3CO3)c1nc(C)s2	10140
+c1cc(ccc1COc2c(cc(c(OCC3OC3)c2)C(=O)NC)Cl)OC	2598
+c1cc(ccc1OC(=O)C(C)(C)CCCCCC)OCC2CO2	2598
+N(=[N+]=[N-])CC1CCOC1	133
+N(=[N+]=[N-])CC1OC(N2C=C(I)C(N)=NC2=O)CC1O	254
+[N-]=[N+]=NCC1ON=C(c2ccc(Br)cn2)C1	133
+C(C1CCc2cc(cc(-c3ccccc3Cl)c2O1)F)N=[N+]=[N-]	254
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	133
+c1ccccc1COCCOCCOCCOCCOCCOCCOCCCCCC(OCC)=O	967
+c1nc2c(c(Nc3cc(c(Cl)cc3Cl)OC)c1C#N)cc4cc(c(OCCCCl)cc4c2)OC	267
+N1C(=O)C(=C(c2cn(CCCSC)c3ccccc23)C1=O)c4cn(C)c5ccccc45	786
+c1cc(ccc1)CNCCN2C(Cl)=CNC(=NCCc3ccccn3)C2=O	10141
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(OCCN=[N+]=[N-])CC2COc4c(F)ccc(F)c34	133
+C(COCCN=[N+]=[N-])OCCO	133
+c1c(cc(OCCOCCOCCOCCN=[N+]=[N-])c(OC)c1OC)C=O	885
+c1cc(ccc1COCCOCCOCCN=[N+]=[N-])OC	133
+c1ccccc1Oc2ccc(F)cc2NCc3c(OCCOS(=O)(=O)C)ccc(c3)OC	208
+N#Cc1cc(F)c(cc1F)CN=[N+]=[N-]	2289
+O=S(=O)(c1cc2c(cn(c2cc1)N)C)C	10142
+Oc1c(cccc1)NC(c2c3c([nH]cc3)ccc2)=O	4963
+c1cc(ccc1C)S(=O)(=O)Oc2c(OC)ccc(CO)c2	41
+c1(c([N+]([O-])=O)cc(c(C)c1)O)OC	3128
+Clc1cc(F)c(cc1O)-n2c(c(C)c(n2)C)C	3128
+O=S(=O)(Oc1cc(C)cc(OCCC=O)c1)c2cccc3nsnc23	24
+c1(n(nc(C)c1[N+](=O)[O-])-c2cc(c(Cl)cc2F)O)C	3128
+O=S(=O)(C)Oc1c(Cl)cc(F)c(c1)[N+](=O)[O-]	31
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CC(OCCCCCC)C(=O)OC	20
+O=S(=O)(Oc1ccc(cc1)OCCCc2ccc(cc2)OCc3ccccc3C(=O)O)C	1
+O=S(=O)(Oc1ccc(cc1)OCCc2ccc(cc2)OCc3ccccc3C(=O)O)C	1
+c1cc(ccc1C)S(=O)(=O)Oc2cc([N+]([O-])=O)c(cc2C(C)C)OC	77
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(C(OC)=O)c3c(c4ccnn4cc3)cc2	69
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(C(=O)OC)c3ncc4c(cco4)c3cc2	69
+C1CC(CCC1O)Oc2nc(nc3[nH]ncc23)-c4ccc(cc4)NS(=O)(=O)c5c(ccc(C)c5)C#N	69
+O=S(=O)(c1n(ncc1C(N=[N+]=[N-])=O)C)N	2279
+O=S(=O)(c1c(C(=O)OC)cccc1)NC(=O)Nc2nc(cc(C)n2)COC3OCCCC3	1722
+O=S(=O)(NC(=O)Nc1nc(cc(C)n1)CO)c2c(C(=O)OC)cccc2	168
+C1COCCN1S(=O)(=O)c2c(C(N)=O)[nH]c3c2ccc(Br)c3	10143
+c1(nc(nc(OC)c1)N(c2ccccc2)C(NS(=O)(=O)c3cc(ccc3C(OC)=O)CCNC(=O)OC)=O)OC	10144
+O=S(=O)(N(COCCOC)c1onc(c1Cl)C)c2c3c(sc2Cc4ccc(C)cc4C)nccc3	1429
+c1cc(ccc1S(=O)(=O)OCC2COc3c(cc(S(=O)(=O)C)cc3O2)F)C	1293
+O=S(=O)(n1c2c(cc1)c(Br)ccc2)c3c(C)cccc3	367
+c1cc(ccc1OCCOS(=O)(=O)c2ccc(cc2)C)CC3SC(=O)NC3=O	1293
+c1ccccc1N2C(=O)CC(COS(=O)(=O)c3ccc(cc3)C)C2c4cc(OC)ccc4	1293
+O=S(=O)(N)c1sc(nc1C)N	1176
+O=S(=O)(c1c(C)nc(N(C)C(Cc2ccc(cc2)-c3cc(F)ccc3F)=O)s1)N	10145
+O=S(=O)(c1cc(S(=O)(=O)c2ccccc2)ccc1CCC)NCCc3ccccn3	71
+c1ccccc1S(=O)(=O)c2cc(c(CCC)cc2)S(=O)(=O)NCCc3ccccc3	71
+O=S(=O)(c1c(CNC(C2CCN(CC)C2)=O)cc(cc1)F)Nc3c(c4OCC5CC5c4cc3)C(O)=O	1
+c1ccccc1NC(=O)OC(CN(C(NC(C)C)=O)CCCCNS(=O)(=O)c2c(Cl)cc(cc2)Cl)COC	589
+CN(C)S(=O)(=O)c1c(ccc(NC(=S)Nc2cccc(F)c2F)c1O)Cl	773
+O=S(=O)(NC1CC1)c2c(O)c(N)ccc2Cl	0
+O=S(=O)(c1c(ccc(N)c1O)Cl)N	0
+O=S(=O)(N(c1ccncn1)Cc2ccc(cc2OC)OC)c3c(F)c(c(cc3)F)F	2023
+O=S(=O)(C)c1c(cc(cc1)CC(=O)C)F	4964
+O=S(=O)(c1c(F)ccc(c1)-c2cc(C=O)ccc2O)C	5
+O=S(=O)(Nc1cccc(c1F)C=O)c2c(F)ccc(c2)F	39
+c1ccccc1CN(Cc2ccccc2)C(COC(=O)N3CCC(CC3)Nc4ccccc4S(=O)(=O)c5ccccc5)C	231
+O=S(=O)(N1c2cc(N)ccc2CCC1)c3c(OC)ccc(c3)Cl	0
+O=S(=O)(c1c(OC)cccc1)Oc2cc(C)cc(OCCC=O)c2	24
+O=S(=O)(c1ccc(C)cc1N)Nc2cc(OC)cc3cccnc23	0
+O=S(=O)(Nc1c2ncccc2ccc1)c3c(N)ccc(C)c3	0
+O=S(=O)(Oc1cc(OCCC=O)cc(C)c1)c2c([N+]([O-])=O)cccc2	24
+O=S(=O)(c1c(C=O)c(Cl)c(cc1)C(O)=O)C	1
+O=S(=O)(C)c1ccc(C(=O)OC)c(Cl)c1C=NO	135
+O=S(=O)(Nc1c(Br)nc(Br)cn1)c2cccc(c2Cl)Cl	3513
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3cnc4n(c3N)ncc4C(OCC)=O	69
+c1ccccc1CS(=O)(=O)c2cc(C(O)=O)cc(S(=O)(=O)N)c2Cl	902
+O=S(=O)(c1c(-c2ccccc2)c(N)cc(c1)C(=O)O)N	0
+O=S(=O)(C)c1c(c(ccc1)-c2ccncc2)-c3ccc(cc3)O	16
+O=S(=O)(c1cc(F)c(cc1F)F)N(Cc2c(OC)cc(OC)cc2)c3ncncc3	2023
+O=S(=O)(c1ccc(NC(=O)CNc2ccccc2)cc1Cl)N	1391
+O=S(=O)(O)c1cc(c(cc1OC)OC)N	0
+O=S(=O)(c1ccc(cc1Cl)Cl)Nc2cc(Cl)c(c(c2)Cl)Oc3cc4c(ccc(C(OC)=O)c4)nc3	69
+O=S(=O)(C)c1ccc(N)cc1F	0
+c1cc(ccc1)COC(COc2cc(C)c(c(c2)C)S(=O)(=O)Cl)=O	204
+O=S(=O)(C)c1c(COC)ccc(Br)c1	49
+O=S(=O)(NC(COC)Cc1c2c(cccc2)[nH]c1)c3cc(ccc3OC(C)C)Br	21
+c1ccccc1COC2CCCN(S(=O)(=O)c3c(ccc(C(=O)OC)c3)Br)CC2	149
+O=S(=O)(c1c([N+]([O-])=O)ccc(C)c1)Nc2c3c(ccc2)cccn3	322
+O=S(=O)(c1c(ccc(Cl)c1)F)Nc2ccc(cc2)-c3nc4[nH]ncc4c(n3)OC5CCC(CC5)O	1002
+O=S(=O)(N)c1cc(ccc1OCC(=O)N2CC(C)N(CC2C)Cc3ccc(cc3)F)Cl	648
+O=S(=O)(c1c(ccc(Cl)c1)O)N	5
+c1ccccc1COC2CCCCC2NC(Nc3c(c(S(=O)(=O)N)c(Cl)cc3)O)=O	406
+O=S(=O)(c1c(Cl)ccc(N)c1O)N(C)C	0
+O=S(=O)(c1c(O)c(ccc1Cl)N)NCC	0
+O=S(=O)(Oc1cc(O)cc(C)c1)c2c(OC)cccc2	992
+c1cc(ccc1S(=O)(=O)c2c(cccc2)Br)C=O	39
+C1CCCN1CCOc2ccc(cc2)N(Cc3cccc(OC4OCCCC4)c3)S(=O)(=O)c5c(C#N)cccc5	416
+O=S(=O)(c1ccccc1Cc2c(n(c3ccc(F)cc23)CC(OC)=O)C)O	1919
+c1cc(ccc1-n2c(nc3c2nc(cc3C)C)CC)CCNC(=O)NS(=O)(=O)c4c(cccc4)Cl	10146
+O=S1(=O)c2ccccc2-c3c(c4nccnc4cc3)N1	1763
+c1ccc2c(c1)C(=O)N(C2=O)CC(Cc3ccccc3)N(Cc4c(cccc4)C(=O)O)S(=O)(=O)c5c(cccc5)OC	1
+O=S(=O)(Nc1c(C=O)cccc1)c2ccccc2[N+](=O)[O-]	39
+C(=C)CONC1C=C(C)C(NC1)C(=O)N	2862
+O=S(=O)(N=C=O)c1cscc1C	4361
+O=S(=O)(c1cc(sc1Cl)Cl)NC(C)COc2cccc3cnccc23	10147
+O=S(=O)(Nc1c(cc(NCCCCCC)cc1)OC)c2c(C(OC)=O)scc2	4869
+O=S(=O)(c1ccsc1C(OC)=O)N(C)CC(O)c2ccc(cc2)F	10148
+C1CN(CCO1)S(=O)(=O)c2c([nH]c3c2cccc3N)C(=O)N	13
+O=S(=O)(c1cccc2c3NC(C(Nc3cc([N+]([O-])=O)c12)=O)=O)N	10149
+ClCC(CCl)Oc1c(c(ccc1)CS(=O)(=O)c2cccc3c2cccc3)N	0
+O=S(=O)(c1c2c(cccc2)ccc1)n3ncc4c3cc(cc4)N	0
+O=S(=O)(N)c1n(nc2cccc(OCCF)c12)C	10150
+c1ccccc1C(=O)CNC(CC2COCc3ccccc3CN2S(=O)(=O)c4cccc5cccnc45)=O	612
+O=S(=O)(Cc1c(c(OCCCl)cc(F)c1)[N+]([O-])=O)c2cccc3c2cccc3	1177
+O=S(=O)(Cc1cc(ccc1[N+]([O-])=O)OC2CN(Cc3ccccc3)CC2)c4c5ccccc5ccc4	1177
+O=S(=O)(Cc1cc(F)ccc1[N+]([O-])=O)c2cccc3c2cccc3	1177
+c1ccccc1COC(N2CCC(C2)Oc3cc4c([nH]nc4S(=O)(=O)c5cccc6ccccc56)cc3)=O	1025
+O=S(=O)(N(c1onc(C)c1Cl)COCCOC)c2c3cccnc3sc2Cc4cc5OCOc5cc4C	1429
+O=S(=O)(c1cc(-c2c(c3c([nH]2)cccc3)CC(=O)O)ccc1Cl)Cc4cc(Cl)ccc4	4
+O=S(=O)(c1cccc(-c2sc(cc2)-c3nn(C)cc3-c4ccccc4Cl)c1)C	800
+O=S(=O)(c1cc(c(cc1)Oc2c(cccc2CO)C)Br)CC	41
+O=S(=O)(CCC)c1cc(OCCCCCCc2cccc(OCCCC(OCC)=O)c2CCC(OCC)=O)cc(Br)c1	8
+O=S(=O)(c1cc(ccc1OC)C#N)Cl	274
+O=S(=O)(c1ccc(c(c1)C(O)=O)SC)C	411
+O=S(=O)(n1c2ccccc2cc1)c3cc(c(cc3)Br)C(O)=O	367
+O=S(=O)(c1cc([N+]([O-])=O)cc(c1)C(=O)O)C	31
+O=S(=O)(Nc1c2ncccc2ccc1)c3c(N)cc(F)c(c3)C	0
+O=S(=O)(Nc1ccccc1OC)c2cc(C=CC(O)=O)ccc2	127
+c1cc(ccc1F)CC(C(OC)=O)c2cc(ccc2)S(=O)(=O)C	3546
+O=S(=O)(c1c2c(cccc2[N+](=O)[O-])c(c(CCO)c1)Br)N	59
+c1cc(ccc1)CNS(=O)(=O)c2cccc(c2)C=O	39
+c1cc(ccc1C#N)NC(c2ccc3c(N(S(=O)(=O)c4c(OC)ccc(Cl)c4)CCO3)c2)=O	67
+c1cc(ccc1C(OCC)=O)NC(c2ccc3c(N(S(=O)(=O)c4c(OC)ccc(Cl)c4)CCO3)c2)=O	67
+c12c(cccc1)C(=O)N(C2=O)OCCCOc3cc(OS(=O)(=O)c4cc(Cl)ccc4OC)cc(C)c3	1395
+O=S(=O)(Nc1ccc(C(=O)OCCOCCO)c(O)c1)c2cc(Cl)sc2Cl	47
+O=S(=O)(C)c1ccc(C(Nc2ccc(cc2F)Br)=O)c(F)c1	50
+O=S(=O)(c1ccc(c(c1)F)F)n2c(cc(c2)C=O)-c3ccccn3	917
+c1cc(ccc1OC)Cn2nc(-c3cc(ccc3)NS(=O)(=O)c4cc(ccc4F)F)c(-c5ccnc(N)n5)c2	69
+O=S(=O)(c1cc(ccc1F)F)Nc2ccc(c(c2F)-c3nn(cc3-c4ccncc4)CC)F	69
+O=S(=O)(c1cc(N2C(Nc3c(c(C#N)sc3)C2=O)=O)ccc1)N4c5ccccc5CCC4	4965
+O=S(=O)(N1c2ccccc2CCC1)c3cc(ccc3)N4C(=O)Nc5csc(c5C4=O)-c6nnn[nH]6	10151
+O=S(=O)(c1cc(OC)c(cc1)OC)Nc2c(Cl)ccc(c2)C(C)=O	155
+CC(C)(c1ccc(Cl)c(NS(=O)(=O)c2cc(OC)c(cc2)OC)c1)O	3129
+O=S(=O)(NCCC(O)=O)c1cc(OC)ccc1	3
+c1cc(ccc1)CNS(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2	3564
+O=S(=O)(c1cc(c([N+]([O-])=O)cc1)N)C	10152
+O=S(=O)(c1cc(cc(Cl)c1)[N+]([O-])=O)NC	1030
+O=S(=O)(c1cc(cc(C(O)=O)c1)N)C	0
+O=S(=O)(C)c1cc(O)c(c(F)c1)CO	49
+c1cc(ccc1)N(C)S(=O)(=O)c2cc(c(Cl)cc2)[N+](=O)[O-]	416
+O=S(=O)(c1cc(c2c(c1)[nH]cn2)Br)c3cc(C(OC)=O)sc3SC	631
+O=S(=O)(c1ccc(c(N)c1)N)C	0
+O=S(=O)(c1cc(c(O)c(c1)N)Br)CC	0
+O=S(=O)(c1cc(c(C(O)=O)c(c1)F)O)C	1
+O=S(=O)(c1cc(c(Cl)cc1)C)Nc2c(C(c3c(cccc3C)OC)=O)ncc(Cl)c2	2258
+O=S(=O)(c1cc(c(Cn2c3c(cccn3)c(CC(=O)O)c2C)cc1)Cl)C	4
+O=S(=O)(c1ccc(NC(CNc2ccccc2)=O)c(C)c1)N	1391
+C1CC(CCN1)N2CCC(Nc3c(cc(S(=O)(=O)C)cc3)F)C2=O	62
+O=S(=O)(c1cc(c(Oc2cc(ccc2CCc3nnn[nH]3)Cl)cc1)Cl)C	1104
+O=S(=O)(c1cc(c2ncn(c2c1)-c3ccccc3)Br)c4cc(C(OC)=O)sc4SC	2846
+O=S(=O)(c1cc(cc(c1)Cl)N)NC	0
+O=S(=O)(c1cc(Br)cc(c1)OCCCCCCc2cccc(OCCCC(OCC)=O)c2CCC(OCC)=O)C	8
+O=S(=O)(c1cc(Br)cc(c1)O)CCC	5
+O=S(=O)(c1cc(CO)ccc1)NCc2ccccc2	49
+O=S(=O)(c1cccc(CO)c1)NCc2ccccn2	49
+O=S(=O)(c1cc(ccc1)C)N2c3cc(cnc3CCC2)C(O)=O	1
+O=S(=O)(c1cc(ccc1)F)c2ccc3CCC(Oc3c2)CN	18
+O=S(=O)(Cc1c(c(c(-c2ccoc2)cc1)OC)C(=O)OC)c3cc(ccc3)OC	10153
+c1cc(ccc1-n2c(C)c(-c3ccccc3)c(C)n2)CCNC(=O)NS(=O)(=O)c4cccc(OC)c4	1777
+c1cc(ccc1)C(NC(c2cc(ccc2)NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)CC(OCC)=O)=O	69
+c1ccccc1C(C(=O)NC(CC(=O)OCC)c2cc(ccc2)NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)CC	69
+O=S(=O)(c1cc(ccc1Cl)-c2c(c3cccc(Cl)c3[nH]2)CC(=O)OC)NC4CCCCC4	2155
+O=S(=O)(c1cc(-c2c(CC(OC)=O)c3ccccc3[nH]2)ccc1Cl)Cc4cc(Cl)ccc4	2155
+O=S(=O)(c1cc(-c2[nH]c3c(Cl)cccc3c2CC(O)=O)ccc1Cl)NC4CCCCC4	4
+O=S(=O)(F)c1cc(ccc1Cl)N	0
+O=S(=O)(c1cc(ccc1F)N)NC2CC2	0
+c1cc(ccc1)-c2nc(cc(c2)S(=O)(=O)c3ccc(cc3)N)N4CCCC4	119
+c1cc(ccc1)C#Cc2nc(N3CCCC3)cc(S(=O)(=O)c4ccc(cc4)N)c2	943
+O=S(=O)(C)c1ccc2N=C(N(C(c2c1)=O)C)C(N3CCN(CC3)S(=O)(=O)c4ccc(cc4)OC)C	10154
+O=S(=O)(c1ccc2NC(C(C)(C)Cc2c1)c3cccc([N+](=O)[O-])c3)C	414
+O=S(=O)(c1cc2C(CCc2cc1)O)C	74
+O=S(=O)(c1ccc2c(C=CC2)c1)C	1358
+O=S(=O)(c1cc2CCCC(c2cc1)C#N)c3ccccc3	4966
+O=S(=O)(c1cc2CCCC(c2cc1)CN)c3ccccc3	51
+O=S(=O)(c1ccccc1)c2cc3c(cc2)C(CCC3)CN=C(N)N	4967
+O=S(=O)(C)c1cc2OC(COc2cc1)COS(=O)(=O)c3ccc(cc3)C	36
+O=S(=O)(C)c1cc2OC(COS(=O)(=O)c3ccc(cc3)C)CCc2cc1	36
+c1cc(ccc1Cc2c3ccc(cc3[nH]c2C)S(=O)(=O)C)Br	1919
+O=S(=O)(c1ccccc1)c2ccc3C(O)CCCc3c2	74
+c1cc(ccc1S(=O)(=O)c2cc3c(cc2)cc(Br)cc3)O	5
+c1cc(ccc1S(=O)(=O)c2c3ccc(S(=O)(=O)C)cc3ccc2OC)F	2290
+O=S(=O)(c1sc2c(c1)cc(CO)cc2)N	59
+O=S(=O)(c1ccc2ncnc(Nc3cc(ccc3)C#C)c2c1)n4cc(cc4)C=CC(=O)OCC	2212
+c1cccn1-c2cc(C(=O)NC(=O)Nc3sc4cc(S(=O)(=O)C)ccc4n3)c(cc2)Cl	10155
+O=S(=O)(c1ccc(-c2sc(nc2C)NC(=O)NCCc3ncc(o3)CC)cc1F)C	10156
+O=S(=O)(C)c1c(cc(-c2c(nc(s2)NC(C)=O)C)cc1)-n3cncc3	431
+O=S(=O)(c1ccc(-c2oc(C)cc2)c(F)c1)Nc3cc(ccc3)N	0
+C1C(C)NC(CN1c2ccc(OC)c(NS(=O)(=O)c3ccc(-c4ccc(C)o4)cc3Cl)c2)C	1752
+O=S(=O)(c1ccc(s1)C(O)=O)N2CCN(C(c3ccccc3)=O)CC2C	6
+C1CC(CCC1CC(c2cc(c(S(=O)(=O)C)cc2)Cl)C(Nc3cnccn3)=O)=O	1018
+O=S(=O)(c1ccc(C(=O)O)c(c1C=2CCON=2)C)C	1
+O=S(=O)(C)c1ccc(C(O)=O)c(C)c1OCCOC	1
+C(C)C(CC)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)O	684
+C1CN(CCC1OC2=CC(=O)N(C=C2)c3c(cc(S(=O)(=O)C)cc3)C)c4ncc(cn4)CCC	4181
+CC(C)(c1sc(nn1)NC(c2cc(ccc2F)S(=O)(=O)NCC)=O)c3ccccc3	900
+O=S(=O)(C1CC(C(NC2(CC2)C#N)=O)C(C1)COc3ccncc3)c4ccc(F)cc4Cl	1175
+OB(O)c1ccc(CCOC(Nc2cccc(C#N)c2)=O)c(c1)C	4968
+OB(O)c1ccc(CCOC(Nc2cccc(C#N)c2)=O)c(CC)c1	4968
+O=S(=O)(c1ccc(Oc2c(F)cc(cc2)F)c(N)c1)N	0
+c1ccccc1-c2cc(S(=O)(=O)C)ccc2C=O	39
+c1cc(ccc1)C(COc2c(C(=O)c3ccc(S(=O)(=O)C)c(C4=NOCC4)c3C)cnn2CC)=O	10157
+O=S(=O)(c1ccc(c(Cl)c1)Cl)n2c(c(c3c2nccc3)C(C(=O)O)C)C	4
+c1cc(ccc1NCC(=O)Nc2c(Cl)cc(S(=O)(=O)N)cc2)Cl	1391
+O=S(=O)(C)c1ccc(C(O)=O)c(c1C2=NOC(C2)C)Cl	1
+O=S(=O)(c1c(c(F)c(F)cc1)F)C2CC2	4948
+c1cc(ccc1-c2nc3c(cc(S(=O)(=O)C)cc3)[nH]2)Br	10158
+O=S(=O)(Oc1c(-c2ccccc2)cc(cc1)C(=O)c3c(Cl)cccc3)c4cc(O)c(cc4)C(O)=O	1163
+c1ccccc1S(=O)(=O)c2ccc(c(N)c2)O	0
+O=S(=O)(c1cc(c(cc1)Cn2c(C)c(c3c2nccc3)CC(=O)OC)Cl)C	1836
+c1cc(ccc1OC)-c2c(nc3cc(ccc3n2)S(=O)(=O)O)-c4ccc(cc4)OC	3113
+c1cc(ccc1F)C(c2ccc(cc2)F)CCN(C3CC3)C(Nc4nc(-c5ccc(cc5)S(=O)(=O)N)c(Cl)s4)=O	2704
+O=S(=O)(c1ccc(cc1)-c2cnc(nc2)CC)Nc3c(F)c(F)c(c(c3F)F)C(O)=O	1
+O=S(=O)(c1ccc(cc1)-n2c3ncccc3c(C(O)=O)c2)C	1
+c1cc(ccc1Br)S(=O)(=O)NCCCCOc2ccc(cc2)-n3cnnn3	71
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)c3ccncc3)Cl)Br	69
+O=S(=O)(c1ccc(cc1)C(C=Cc2cc(-c3[nH]c4ccccc4c3)c(OC)cc2OC)=O)NCC(=O)O	2292
+O=S(=O)(c1ccc(cc1)C(CN(Cc2c(C)c3c(s2)C(=O)C(C(NCc4ccc(cc4)Cl)=O)=CN3C)C)O)N	822
+c1ccccc1COc2nn(Cc3ccccc3)cc2CC#N	881
+O=S(=O)(N1C=CNC(=O)C1Cc2cn(nn2)C3c4c(CCC3)cc(C=O)cc4)c5ccc(cc5)C	642
+c1cc(ccc1C)S(=O)(=O)NC2CCCC2(N)C	18
+O=S(=O)(c1ccc(cc1)C)OC(Cc2nn3c(nc4c(c3n2)cccc4OC)N)C	4184
+N1(CCc2c(nc(o2)C)C1)C(Cc3nn4c(c5cccc(OC)c5nc4N)n3)C	2687
+O=S(=O)(c1ccc(cc1)C)OC=2C=3C(N(C4CC4)C(N(c5cccc(N)c5)C=3N(C)C(C=2)=O)=O)=O	0
+FC(F)(F)C1(COS(=O)(=O)c2ccc(cc2)C)OC1	10159
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(cc4CCCc4c3O2)Cl)C	419
+O=S(=O)(c1ccc(cc1)C)OCC(Cc2c(O)c3c(cc2Cl)CCC3)O	16
+C(C)(=O)CC(C(O)CN=[N+]=[N-])O	254
+C1CC(CCC1)(C)COc2ccc(cc2)C	450
+c1c(C)c(c(cc1OCC2CN(C)c3ccccc3O2)C)Br	267
+c1cc2c(noc2cc1F)-c3cc(ccc3)OCC4CO4	450
+O=S1(=O)CC(CC1)COc2c3ccn(-c4nc(ncc4)SCCC)c3ccc2	267
+[N-]=[N+]=NCC1COc2cccc(c2N1)OC	254
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CC4OC(N(Cc5ccc(cc5)F)C4)=O	236
+[N-]=[N+]=NCC1OCN(C1)c2ccc3C(N4C(=Nc3c2)C(c5cc(ccc45)F)=O)=O	254
+CC(C)=CCCC(=CCCC(C)=CCCCOCC(C(CO)O)O)C	10160
+c1cc(ccc1CSCCn2ccnn2)OCC=C	10161
+c1cnccc1-c2cn(c3nc(Cl)nc(c23)Nc4ccc(cc4)F)S(=O)(=O)c5ccc(cc5)C	2997
+c1cnccc1-c2c3c(NC4CC4)nc(nc3n(c2)S(=O)(=O)c5ccc(cc5)C)Cl	2997
+O=S(=O)(c1ccc(cc1)C)n2c3c(cc2)n4c(cn3)nnc4C5C(CC(Nc6sc(C#N)cn6)C5)CC	4843
+n1c(NC2CC(C(CC)C2)c3nnc4cnc5[nH]ccc5n34)sc(c1)C#N	4969
+O=S(=O)(c1ccc(cc1)C)n2c3c(cc2)n4c(C5CC(N)CC5CC)nnc4cn3	524
+c1ccccc1-c2cc3c(nc2)[nH]cc3-c4ccc(cc4)C(O)=O	392
+O=S(=O)(c1ccc(cc1)C)n2c3c(c(c2)I)c(nc(Cl)n3)Nc4ccc(cc4)F	1665
+O=S(=O)(n1c2nc(Cl)nc(c2c(I)c1)NCc3ccccc3)c4ccc(cc4)C	974
+c1cc(ccc1S(=O)(=O)n2ccc3c2nc(nc3Nc4cc5c(cc4)c[nH]n5)Nc6ccc(cc6)N(C(=O)C)C)C	55
+c1cc(ccc1SC)Nc2nc3n(ccc3c(n2)Nc4cc5c(cc4)c[nH]n5)S(=O)(=O)c6ccc(cc6)C	55
+c1cc(ccc1Nc2nc(Nc3cc4c(cnn4C)cc3)c5c(n(cc5)S(=O)(=O)c6ccc(cc6)C)n2)C(=O)N	55
+O=S(=O)(n1c2c(cc1)c(Br)cnc2O)c3ccc(cc3)C	3107
+c1cc(ccc1)C(c2ccccc2)CCN3CCC(CC3)N(C)C(Cc4ccc(cc4)S(=O)(=O)F)=O	10
+c1cc(ccc1CNC(=O)c2cnc3c(cn[nH]3)c2)S(=O)(=O)c4ccccc4	56
+c1ccccc1C(c2cc(Br)ccc2C(=O)N(CC(CCC)O)Cc3ccc(cc3)S(=O)(=O)C)=O	30
+O=S(=O)(c1ccc(cc1)Cc2ccc(cc2)N)N(C)C	0
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCN	18
+c1cc(ccc1CN(C(CC)c2ccccc2)S(=O)(=O)c3ccc(cc3)Cl)C(OC)=O	692
+O=S(=O)(N(C1C(CCCC1)C)Cc2ccc(cc2)C(=O)OC)c3ccc(cc3)Cl	692
+c1cc(ccc1S(=O)(=O)N(Cc2ccc(cc2)-c3ncon3)C4CCCCCC4CO)Cl	692
+c1cc(ccc1S(=O)(=O)c2ccc(cc2)F)N	0
+c1cc(ccc1S(=O)(=O)c2ccccc2CO)F	41
+O=S(=O)(c1ccc(cc1)N2c3c(-n4c(C)nnc4C(C)C2)ccc(c3)Br)C	2335
+c1cc(ccc1S(=O)(=O)F)N=Nc2ccc(c(Cl)c2)O	725
+c1cc(ccc1S(=O)(=O)N2CCC(C)(C)CC2)NC(c3ccc([N+](=O)[O-])o3)=O	1129
+O=S(=O)(CC)c1cc(c(cc1)O)[N+](=O)[O-]	31
+c1cc(ccc1OCc2ccc3ccccc3c2)S(=O)(=O)NCC(C(=O)OC)N4CCCCC4	22
+C(C)N(CC)CC=Cc1cc(ccc1S(=O)(=O)Nc2c(C(=O)O)c3ccn4c(c3cc2)ccn4)F	1
+O=S(=O)(c1ccc(cc1CC2CCN(CC2)CC)F)Nc3c(c4OCC5CC5c4cc3)C(O)=O	1
+O=S(=O)(N=[N+]=[N-])c1c(cc(cc1)Br)CCC	10162
+O=S(=O)(c1ccc(cc1Cl)Cl)Nc2cc(Cl)c(c(c2)Cl)Oc3cnc4ccc(cc4c3)C(=O)O	1
+c1cc(ccc1F)-n2c3C=C4C(Cc3cn2)(COCC)CN(CC4)S(=O)(=O)c5ccc(Cl)nc5	1027
+O=S(=O)(N1CC2(C(=O)c3ccccn3)C(=Cc4c(cnn4-c5ccc(cc5)F)C2)CC1)c6ccc(Cl)nc6	1027
+O=S(=O)(c1ccc(s1)-c2cc(c(O)nc2C)CC)NCC(O)c3ccccc3	1427
+c1cc(ccc1)N2CCN(CC2)S(=O)(=O)c3sc(cc3)-c4cc(c(O)nc4C)CC	1147
+O=S(=O)(c1ccc2c(c1)CC(C)(C)C(c3cccc(N)c3)N2)C	0
+O=S(=O)(N)c1ccc2NCCc2c1	621
+c1cc(ccn1)N2CCC(CC2)C(=O)NN3CCN(S(=O)(=O)c4cc5c(cc(Cl)cc5)cc4)CC3=O	1038
+Fc1c(F)c(c(F)c(F)c1F)OS(=O)(=O)c2ccc3c(nccc3c2)Cl	681
+c1cc(ccc1-n2c(nc3c(cc(C)nc23)C)CC)CCNC(=O)NS(=O)(=O)c4cc5c(cccc5)cc4	1777
+O=S(=O)(c1cc2sc(nc2cc1)NC(=O)Oc3ccc(cc3)F)C	810
+O=S(=O)(c1ccc2ncnc(Nc3cc(ccc3)C#C)c2c1)n4cc(C=CC(=O)NO)cc4	792
+O=S(=O)(c1ccc2ncnc(Nc3cc(ccc3)C#C)c2c1)n4ccc(C=CC(=O)O)c4	108
+O=S(=O)(c1cccc(-c2c3c(c(C(=O)N)nc2)[nH]c4c3cc(cn4)C)c1)CC	1198
+O=S(=O)(c1cc(ccc1)C(O)=O)NCc2ccccc2	71
+O=S(=O)(Nc1ccc2c(cccc2)c1)c3cc(ccc3)C=CC(NO)=O	2291
+O=S(=O)(c1cccc(c1)C=CC(=O)O)Nc2ccc3c(cccc3)c2	127
+O=S(=O)(Nc1c2c(ccc1)cccc2)c3cc(C=CC(O)=O)ccc3	127
+O=S(=O)(NCc1ccccn1)c2cccc(c2)C=O	39
+CN(C)c1cccc(c1)-c2c(C)sc3nc(cc(NS(=O)(=O)c4cc(ccc4)Cl)c23)C	10163
+O=S(=O)(c1cc2c(cc1)C(=O)CCC2)c3ccccc3	992
+CN(C)CCNS(=O)(=O)c1cc(Nc2cc(nc3c2cccc3)C)ccc1	179
+O=S(=O)(c1cccc(O)c1)N2C(c3ccccc3-c4c2cc(F)cc4)C	5
+[N+](c1cc2c(c(C)c1)nccc2)([O-])=O	4865
+O=S(=O)(c1cc(ccc1)-c2cc(OCC)ccc2)Nc3cc(c(cc3)C(O)=O)O	11
+O=S(=O)(c1cccc(C=CC(=O)OC)c1)Nc2ccc3c(cccc3)c2	69
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)OC	71
+O=S(=O)(c1cc(C=CC(OC)=O)ccc1)Nc2ccccc2OC	69
+O=S(=O)(Nc1cc(nc2sc(c(c12)-c3cc(OC)ccc3)Br)C)c4cc(ccc4)Cl	69
+O=S(=O)(c1cccc(Cl)c1)Nc2c3c(nc(C)c2)sc(C)c3Br	69
+O=S(=O)(Nc1cncc(c1)-c2sc(cc2)-c3cc4c(cc3)C(N(C)C4)=O)c5cccc(Cl)c5	322
+O=S(=O)(c1cccc2c1cccc2)c3n[nH]c4c(OCCCCl)cccc34	1025
+O=S(=O)(n1ccc2c1cccc2N)c3c4ccccc4ccc3	0
+O=S(=O)(c1cccc2c3NC(=O)C(=O)Nc3cc(N)c12)N	0
+O=S(=O)(c1cccc2ccccc12)c3n[nH]c4ccc(OCCCN)cc34	18
+c1cc(ccc1)CCN2CCC(C2)Oc3ccc4[nH]nc(S(=O)(=O)c5cccc6ccccc56)c4c3	61
+c12c(cccc1)C(=O)N(C2=O)OCCCOc3cc(C)cc(c3)OS(=O)(=O)c4cccc5cnccc45	10164
+O=S(=O)(NCC1=CC(C(=C(C(=O)O)N1C)OCc2ccccc2)=O)c3ccccc3Cl	10165
+O=S(=O)(c1ccccc1)Cc2c(ccc(c2)OCCOS(=O)(=O)c3ccc(cc3)C)[N+](=O)[O-]	36
+c1ccccc1S(=O)(=O)Cc2cc(ccc2N)OCCOS(=O)(=O)c3ccc(cc3)C	0
+c1cc(ccc1)S(=O)(=O)Cc2c(C(=O)OCC)c(c(cc2)Br)O	5
+O=S(=O)(Cc1c(c(c(Br)cc1)OC)C(OC)=O)c2ccccc2	10166
+c1cc(ccc1OC)-c2ccc3c(F)c(OC)ccc3c2	4408
+c1cc(ccc1-c2c(C(=O)O)c3cc(Br)c(cc3o2)N(C)S(=O)(=O)c4ccccc4)F	1
+c1ccccc1S(=O)(=O)NC2CNc3c(C2)cccc3	15
+c1cc(ccc1)S(=O)(=O)NCC=2OC(CO)=C(OCc3ccccc3)C(C=2)=O	3130
+c1ccccc1-c2cc(C(=O)OCC)c(NS(=O)(=O)c3ccccc3)s2	10167
+O=S(=O)(c1ccccc1)Nc2cc(ccc2Cl)-c3[nH]c4ccccc4c3CC(=O)O	4
+c1ccccc1S(=O)(=O)Nc2ccc(c(N)c2)NCC3CCCCC3	0
+O=S(=O)(c1ccc(c([N+]([O-])=O)c1)O)c2ccccc2	31
+O=S(=O)(c1ccccc1)c2ccc3c(c2)OCCN3	15
+c1cc(ccc1)S(=O)(=O)c2cc3NCCOc3cc2	15
+c1cnc(o1)-c2[nH]c3ccc(Cl)nc3c2	3131
+c12[nH]c(C)cc1cc(cn2)OC	1017
+O=S(=O)(c1ccccc1)n2c(c(c3cc(Br)cnc23)C(OC)=O)CN(CC#N)S(=O)(=O)c4ccc(cc4)C	10168
+c1ccccc1S(=O)(=O)n2c3cnc(c(O)c3c4c2ncc(Br)c4)C#N	10169
+O=S(=O)(c1ccccc1)n2c(cc(c2)C=O)Br	200
+c1cc(ccc1)S(=O)(=O)n2cc(-c3ccc(c(c3)OC)OC)c4ccccc24	550
+c1c(cc2c(c1)[nH]c3CCN(c4c(ccnc4)C)C(=O)c23)F	741
+c1cc(ccc1N)C(N2CC(Nc3nc(c(C#N)cn3)-c4c5ccccc5[nH]c4)CC2)=O	741
+O=S(=O)(n1c2c(c3c1ccc(C=C[N+]([O-])=O)c3)cc(cn2)Cl)c4ccccc4	417
+C1CC(CCN1CC(F)F)Oc2c3c4c([nH]c3cnc2C#N)nccc4	10170
+c1ccccc1S(=O)(=O)n2c3c(ccc(F)c3)c(-c4ccc(nc4)Cl)c2	10171
+c1cc(ccc1)S(=O)(=O)n2cc(cc2)CC[N+]([O-])=O	3068
+C1CC1CN(CC(Nc2ccc(cc2F)-c3c(S(=O)(=O)C)cccc3)=O)C(Nc4ccc(cc4)Cl)=O	10172
+O=S(=O)(c1ccccc1C)NC(c2cc(OC)c(cc2)Cn3ccc4ccc(C=CC(NCCC)=O)cc34)=O	258
+O=S(=O)(c1ccccc1C)NC(c2ccc(Cc3c4c(ccc(c4)C(OC)=O)n(C)c3)c(OC)c2)=O	258
+c1cc(ccc1NCc2cc(oc2C)C(NS(=O)(=O)c3ccccc3C)=O)-c4ccccc4	10173
+O=S(=O)(c1ccccc1C)NC(c2cc(OC)c(cc2)Cn3ccc4ccc(CCC(NCCC)=O)cc34)=O	1320
+O=S(=O)(c1ccccc1C)NC(c2ccc(c(OC)c2)Cc3cn(C)c4c3cc(C(=O)O)cc4)=O	1
+c1cc(ccc1I)N2CC(Cn3nnc(C)c3)OC2=O	10174
+O=S(=O)(c1c(CN2C(C=Cc3cnc(SC)nc23)=O)cccc1)CC	10175
+O=S(=O)(c1ccccc1Cc2c3cc(F)ccc3n(c2C)CC(OC)=O)Nc4ccccc4	69
+c1cc(ccc1)COC=2C(C=C(CNS(=O)(=O)c3ccccc3Cl)OC=2C(=O)O)=O	4970
+O=S(=O)(Nc1c(c2c(cc1)C3C(CO2)C3)C(=O)O)c4c(F)cccc4	1
+O=S(=O)(c1c(F)cccc1)Nc2c(c3OCC4C(CCO4)c3cc2)C(O)=O	1
+O=S(=O)(c1cnc(C=Cc2c(F)cccc2)cc1)c3ccccc3F	914
+O=S(=O)(NC)c1c(cccc1)Nc2nc(ncc2[N+]([O-])=O)Nc3c(ccc(OC)c3)OC	55
+CN(C)S(=O)(=O)c1cccc([N+]([O-])=O)c1O	31
+c1ccccc1-c2c3c([nH]n2)cc(c(c3)NS(=O)(=O)c4c(cccc4)S(=O)(=O)C)C	69
+CN(C)C(=O)C=1C(CNC(COC)C=1)NOCC=C	2862
+n1c(C)cc(nc1NC(NS(=O)(=O)c2ccccc2[Se]C)=O)C	1722
+O=S(=O)(c1ccccn1)N(c2c3c(cc(c2)OCCOC)cc([nH]3)C(=O)O)C	6
+O=S(=O)(c1ncccc1)N(C)c2cc(OCCOC)cc3c2[nH]c(C(NCC(C(OC)OC)SCc4ccccc4)=O)c3	81
+O=S(=O)(Nc1cccc2c1n(COC)c(C(=O)O)c2)c3ccccn3	6
+O=S(=O)(N(c1cccc2cc([nH]c12)C=3SC(CN=3)(CCO)C)C)c4cccs4	10176
+O=S(=O)(c1cccs1)N(c2c3[nH]c(cc3c(C)cc2)C(N)=S)C	742
+O=S(=O)(N(c1c2c(ccc1)cc(C(O)=O)[nH]2)C)c3cccs3	6
+O=S(=O)(c1cnc(Oc2cc(c3c(cc(C(O)=O)[nH]3)c2)OC(COC)COC)cc1)C	1
+O=S(=O)(c1cnc(Oc2cc3cc(C(=S)N)[nH]c3c(OC(COC)COC)c2)cc1)C	742
+O=S(=O)(c1cnc(Oc2cc3cc([nH]c3c(c2)O)C(O)=O)cc1)C	6
+O=S(=O)(c1cnc(Oc2cc3cc(C(OCC)=O)[nH]c3c(O)c2)cc1)C	10177
+O=S(=O)(n1cc(C=O)cc1-c2ccccc2)c3ccc(OC)nc3	1690
+C1CNCCC1C2C(CCOc3ccc(cn3)S(=O)(=O)C)C2	62
+c1cc(ccc1)COc2nccc(-c3nnc(S(=O)(=O)C)n3C)c2	1424
+c1ccccc1COC(=O)N2CCCC(C2)C(C)Nc3nccc(n3)-n4cnc5ccccc45	435
+c1cc(ccc1N2CCN(CC2)C)Nc3nc4N(Cc5ccccc5Br)C(=O)C=Cc4cn3	1359
+O=S(=O)(c1ncc(Oc2cc(cc(-c3[nH]c(cc3)C(=O)O)c2)OC(COC)C)cc1)C	426
+O=S(=O)(c1ncc(Oc2cc(cc(c2)-c3[nH]c(C(=O)NC(C(C)O)CO)cc3)OC(COC)C)cc1)C	81
+O=S(=O)(c1ncc(cc1)Oc2cc(-c3ccc(C=4OCC(C(C)O)N=4)[nH]3)cc(OC(COC)C)c2)C	10178
+O=S(=O)(C)c1ccc(Oc2cc(c3[nH]c(cc3c2)C4=NCC(CCO)S4)OCC)cn1	44
+O=S(=O)(c1ncc(Oc2cc(cc(-c3ccc(C=4OCC(C(C)O)N=4)[nH]3)c2)OC(C)CO)cc1)C	88
+c12nc(ncc1ccnc2Cl)Nc3ccc(cc3C)-c4cnn(C)c4	10179
+c1cc(ccc1C=O)NS(=O)(=O)c2ncccc2	39
+O=S(=O)(C)c1nccn1CC(=O)O	3
+O=S(=O)(NCCn1nc(c(c1CC)Cc2cc(Cl)cc(Cl)c2)CC)c3ncn(C)c3	4146
+c1cc(ccc1C2C(CN(S(=O)(=O)c3cn(C)cn3)C2)OC(=O)NCCCC)F	3936
+O=S(=O)(c1ncn(C)c1)N2CCC(CC2)C3NCCc4cc(ccc34)OC	1218
+c1c(F)c(c(cc1)F)COc2cc(ncn2)OCC#CC	10180
+O=S(=O)(Nc1c(F)cccc1F)c2nn3c(n2)c(ccc3Cl)OC	10181
+O=S(=O)(c1n(C)c(nn1)-c2ccnc(O)c2)C	104
+O=S(=O)(c1ccc(C(=O)OCC)s1)N2CCN(C(c3ccccc3)=O)CC2C	1147
+O=S(=O)(Nc1ccccc1N)c2cc3ccccc3s2	1063
+O=S(=O)(Nc1cc(F)ccc1SCc2ccccc2C(=O)OC)c3cc4c(s3)cccc4	1063
+c1ccccc1-c2cc(C(=O)OCC)c(C)n2S(=O)(=O)c3cccnc3	1072
+n1ccc(C)c2c1cc[nH]2	3131
+O=S(=O)(n1c2c(cc(cc2)CC[N+](=O)[O-])c3cc(cnc13)Cl)c4ccccc4	364
+c1cc(ccc1)C(=O)NCCc2ccc3n(S(=O)(=O)c4ccccc4)c5ncc(cc5c3c2)Cl	93
+O=S(=O)(n1c2c(cc(cc2)CCN)c3cc(cnc13)Cl)c4ccccc4	157
+O=S(=O)(n1ccc2c3c(ccc12)OCCNC3)c4ccccc4	2217
+O=S(=O)(n1ccc2c1cccc2)c3cc(C=O)c(cc3)Br	39
+O=S(=O)(c1ccccc1)n2c(C(O)=O)cc3ccccc23	1
+FC(F)c1cc2c(Cl)c(ccc2[nH]1)C#N	741
+O=S(=O)(n1c2c(cc1)cccc2)c3ccc(Br)c(CO)c3	49
+O=S(=O)(n1c2c(c(Cl)c(cn2)CC=O)cc1)c3ccc(cc3)C	465
+O=S(=O)(c1ccc(cc1)C)n2cc(c3cc(cnc23)-c4ccccc4)-c5ccc(c(c5)F)OC	4971
+O=S(=O)(c1ccc(cc1)C)n2cc(-c3ccc(cc3)C(O)=O)c4cc(cnc24)-c5ccccc5	4971
+c1cc(ccc1S(=O)(=O)n2cc(cc2-c3ccccc3)C=O)OC	1639
+c1ccccc1S(=O)(=O)n2cc(cc2Br)C(O)=O	1
+O=S(=O)(n1c2c(cc1)c(ccc2)C=O)c3sccc3	674
+S(C)(c1cccc(C(=O)OC)c1)(=O)=NC(c2cncc(c2)C#Cc3cccc(c3)NC(=O)c4n(nc(C)c4)C)=O	1240
+C1CC1NC(N2CCS(=O)(=O)C(CC(NOC3OCCCC3)=O)(c4sc(cc4)-c5ccc(cc5)-c6cnco6)CC2)=O	437
+C1C2(CC1)S(=O)(=O)CC(NC2=N)(C)c3cc(ccc3F)[N+]([O-])=O	31
+O=S1(=O)CC(CC1)CO	21
+O=S(=O)(c1ccc(cc1)C)OCC2CS(=O)(=O)CC2	36
+O=S1(=O)CCC(C1)Nc2c([N+](=O)[O-])cc(Cl)cc2F	31
+O=S1(=O)CC(CO)CN1CC	118
+c1ccc2c(c1)C(=O)N(C2=O)CC3CS(=O)(=O)N(C3)CC	332
+C1C(CC12CS(=O)(=O)C2)Nc3ccc(Cl)cc3N	0
+C1C(CC1=O)(c2ccc(cc2)OCc3cc4c(cc3)scc4-c5c(cc(cc5)C6=CCS(=O)(=O)CC6)C)CC(OCC)=O	20
+c1cc(ccc1NC(C2=Cc3cc(ccc3S(=O)(=O)CC2)Br)=O)CN(C4CCOCC4)C	4909
+O=S1(=O)CCC(Nc2c(F)cc(cc2N)Cl)C1	0
+O=S1(=O)CCC(C1)c2c3cc(Br)cc(C(=O)O)c3[nH]c2	6
+O=S1(=O)CCCC(c2c3cc(Br)cc(c3[nH]c2)C(=O)O)C1	6
+O=S1(=O)CCCC(c2c3cc(-c4ccoc4)cc(c3[nH]c2)C(=O)N)C1	1628
+O=S1(=O)CCCN1CC23CC4CC(C(N)(C2)C4)C3	4972
+O=S1(=O)CCCN1c2ccc(cc2)-c3n(CC)c4cc(ccc4c3C#N)O	5
+O=S1(=O)CCCN1c2ccc(cc2)NC(=O)C(CCC)Oc3cccc(-c4noc(n4)C)c3	33
+O=S1(=O)CCCN1c2ccc(cc2)N	0
+O=S1(=O)CCCOc2c1ccc(Oc3cc(cc(C(=O)Nc4cnc(cn4)C)c3)OC(C)CO)c2	88
+Fc1cc(cc(F)c1N2CCS(=O)(=O)CC2)N	0
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)[N+](=O)[O-])F	31
+c1cc(ccc1F)CNC(c2nc(c3cccnc3c2O)N4CCN(CCS4(=O)=O)S(=O)(=O)C)=O	4206
+O=S1(=O)CCc2ccsc12	4973
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCc3cccc(C#N)c3	1904
+O=S1(=O)c2c(n(C)cc2)C(CCN1CCCCl)=NO	1213
+O=S1(=O)N(C2(CCNC(C)C2)CN1)c3cc(F)ccc3	62
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(OC(C)C(O)=O)ccc13)C	3
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(ccc13)OCC(=O)O)C	3
+c1ccccc1N2CCCCN(S2(=O)=O)Cc3c(cc(cc3)Br)F	692
+O=S1(=O)N=C2C(c3ccc4c(ccc(c4)OC)c3)CCCN2CC1	2293
+C1CCC1N2c3c(S(=O)(=O)NC2)cc(Cl)cc3	10182
+c1cc(ccc1)C(=O)Oc2cc3c(cc(Br)cc3)cc2N4S(=O)(=O)NC(C4)=O	1039
+O=S(=O)(Nc1cc(c(N)cc1)S(=O)(=O)N)C	10183
+N1CC(CNS1(=O)=O)c2ccc(c(C=3CCCCC=3)c2)N	989
+O=S1(=O)N(c2ccc(cc2)OC)c3ccccc3CN1CCCCl	4974
+O=S1(=O)c2cc(C#N)ccc2C(=O)c3cc(ccc13)F	274
+c1cc(ccc1S(=O)(=O)Oc2c(cnn2CC)C(c3cc(c4S(=O)(=O)CCC(c4c3C)C)C)=O)C	10184
+O=S1(=O)c2c(C(c3ccccc3)NC(CC)(C1)CCCC)cc(c(CCCO)c2)OC	21
+O=S1(=O)c2c(cc(OC)c(CCC(O)=O)c2)C(c3ccccc3)NC(CC)(C1)CCCC	3
+c1cc(ccc1)C(OC2CCS(=O)(=O)c3c(C)cc(c(C)c23)C(=O)O)=O	279
+O=S1(=O)CCC(=Cc2cc(ccc12)Br)C(=O)O	127
+c1cc(ccc1F)N2CCN(CC2)CCCN3CCC(c4n(C)ccc4S3(=O)=O)=NO	53
+O=S1(=O)N(C)CC(=NO)c2n(ccc12)CCCCN3CCC(CC3)C(=O)c4ccc(cc4)F	53
+C1CCCCC1C2=NS(=O)(=O)c3cc(N)ccc3N2	10185
+c1cc(ccc1CN2C(C(=C(O)C3C4CCC(C23)C4)C5=Nc6c(S(=O)(=O)N5)cc(cc6)I)=O)F	10186
+O=S1(=O)c2ccc(-c3ccc(cc3)N4CCCCC4)cc2C=C(C(=O)O)CC1	127
+O=S1(=O)N(c2ccc(cc2)Cl)C(N(C)c3c1ccc(O)c3)=O	5
+O=S1(=O)c2c(n(cc2)CCCCCl)C(CN1C)=NO	1213
+O=S(=O)(N)c1ccccc1SCCOC	10187
+O=S(=O)(Cl)c1cc(CC)c(Cl)cc1	4365
+c1ccccc1Oc2ccc(C(O)=O)nc2	10188
+c1cc(ccc1)CNCCCNc2cc(c(C)cc2[N+](=O)[O-])C	42
+c1(N)c(ccc(c1)O)NC(=O)COc2cc(ccc2)OCC	0
+[N+](=O)(c1cc(cc([N+](=O)[O-])c1)SCCCCN2C(c3c(cccc3)C2=O)=O)[O-]	636
+O(c1cc2nc[nH]c2cc1)CCCCCCCCCCCCBr	3132
+c1cc(c(N)c(c1OC)[N+]([O-])=O)Br	0
+c1(c(CC(=O)OCC)c2c(cccc2)c(N)c1)[N+](=O)[O-]	0
+C(c1c(cc(OC)c(c1)N)OC)(CCCCCl)=O	0
+c1c(c(OC)cc(c1C)C)N	0
+c1c([N+]([O-])=O)cc(cc1C=C)[N+]([O-])=O	10189
+c1cc(c(c(F)c1F)COc2cc(Nc3nc(Cl)ccc3N)c(Cl)cc2OC)OC	13
+N#Cc1ncccc1Cl	10190
+c1(nn2c(cccc2c1[N+]([O-])=O)Br)CC	10191
+c1ccccc1C(=O)Nc2n[nH]c3c(F)cc(cc23)[N+]([O-])=O	2166
+O=Cc1c(ccc(C)n1)-c2oc(cn2)CC	1436
+c12-c3c(cccc3)C(c1cccc2)COC(=O)NC(c4nc(C=O)c5c(cccc5Cl)c4)C	1436
+c12c(c(ccc1C=CC(=O)N2C)OC)CC=O	465
+c1(C=O)cc2c(Cl)ccnc2cc1	674
+c12ncc(OC)cc1N(C(=O)C=C2)CC=O	465
+c1c(Br)cc2c(C(N(CC=O)CC2)=O)c1	465
+c1cc(ccc1F)-c2c(COc3ccc(C(=O)OC)cn3)c(on2)C=O	4975
+c1cc(ccc1-c2c(COc3ccc(C(=O)OC)cn3)c(on2)C=O)Cl	4975
+c1cc(ccc1)COc2c(ccc(C=O)n2)[N+]([O-])=O	1436
+c1cc(ccc1-c2noc3-c4c(cc(C=O)cc4)CCc23)CCC	674
+c1cc(ccc1-c2oc3c(cc(c(N(c4ccc(C=O)c(Cl)c4)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	674
+c1cc(ccc1Cl)C=2N(C(N(N=2)CC(OC)=O)=O)CC=O	465
+c1cc(ccc1)CC2COC(=O)N2C(=O)C3C(CC(=O)C3)c4ccc(cc4)Cl	10192
+c1ccccc1COC(=O)NC2C(CC=O)N(C2=O)C(=C(C)C)C(OC)=O	465
+c1ccccc1COc2c3nc(cc(C=O)c3ccc2)C	674
+c1nc(c2n1-c3c(c(ccc3)CC=O)OC2)C(=O)OCC	465
+c1ncn(CC(CC=O)c2ccc(c(c2)Cl)Cl)c1	465
+c1c2c(c(Cl)cc(n2)C=O)ccc1OC	501
+O=Cc1nc2c(cc1)cc(F)c(OCC)c2	501
+O=Cc1nc2c(cc1)cc([N+]([O-])=O)cc2	501
+Cc1cccc(C)c1-c2nc(c(cc2)F)C=O	501
+O(COC)c1ccc2ccc(nc2c1C#N)C=O	501
+c1(OC)c(OC)c(cc2nc(C=O)ccc12)OC	501
+c1(ncccc1[N+](=O)[O-])C=O	501
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5c(c(I)n4)c(C=O)nc(Cl)c5	501
+c1cc2ccc(c(c2nc1C=O)[N+](=O)[O-])OCOC	501
+c1cc(ccc1)-c2nnc3cccc(c3c2)C=O	3133
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(c(nc(Cl)c5)C=O)c(N6CCOCC6)n4	501
+c1(C=O)ccc2ncccc2c1	3133
+O=Cc1nc2cccnc2cc1	501
+O=Cc1ccnc2ccc(cc12)C#N	3133
+c1cc(c(C)nc1)[N+](=O)[O-]	10193
+c1cc(ccc1CN2c3c(C(N(CC(c4cc(C)c(OC)cc4)=O)C2=O)=O)cc(s3)CC)-c5c(C#N)cccc5	10194
+c1([N+]([O-])=O)c(OC)c(cc(C#N)c1)C(=C)C	4166
+C1CC1c2cc(cc3cc[nH]c23)[N+]([O-])=O	4976
+C1CC1c2c(C(OC)=O)c(F)ccc2	365
+C1CC1c2c3c(c(F)cc2)c(C(=O)OC)c[nH]3	4976
+C1CC1c2nc(C(=O)OCC)ccc2	2222
+C1CC1c2cc(C(=O)OC)c(Cl)nc2	940
+C1CC1c2ccc3c(cnnc3O)c2	365
+C1CC1c2c(cc(c(CC(=O)OC)c2)C)C	365
+C1CC1c2cnn(C)c2-c3csc(C(=O)OC)c3	10195
+C1CC1c2c(c(cnc2)Br)Cl	940
+C1CC1c2c(Nc3ccccc3C(NOC)=O)cc(Cl)nc2	940
+c1c(F)c(c(cc1C2CC2)F)[N+](=O)[O-]	365
+C1CC1c2ccc(c(c2)C)C(OC)=O	365
+C1CC1c2ccc(C(=O)OC)c(c2)F	365
+C1CC1c2cc(c(C(=O)OC)cc2)O	365
+C1CC1c2ccc(F)c(c2)[N+]([O-])=O	365
+C1CC1c2cc(c(cc2)N)[N+](=O)[O-]	365
+C1CC1c2ccc3c(c2)ncs3	10196
+C1CC1c2cc(CO)c(OCC)cc2-c3ccc(cc3)F	10197
+c1cc(ccc1-c2c(F)c(OC(C)C)c(cc2C3CC3)C=O)F	365
+C1CC1c2ccc(cc2)C=O	365
+c1cc(ccc1-c2c(C3CC3)nccn2)CC(OC)=O	10198
+C1CC1c2cccc(N3C(=O)C(=C(N=C3C)CCCC)Cc4ccc(cc4)-c5ccccc5C#N)c2	365
+c1cc(ccc1F)N2N(C(=C(C3CC3)C2=O)C)C	10199
+C1CC1c2cc(Cl)ccc2CCNC(=O)c3ccc(cc3)Oc4c(cc5c(OCCC5C(OCC)=O)c4)Cl	365
+C1CC1c2cnc(cc2)N	940
+C1CC1c2cccc(N3CCn4c(cc(n4)OCc5ccccc5)C3=O)n2	2222
+c1cc(cc(c1OC)C=2CCCC=2)F	989
+c1c(nc(C=2CCCCC=2)c(F)c1)C(=O)O	3061
+c1cc(ccc1C=Cc2cc(-n3nc(CC)c(C(OC)=O)c3CC)ccc2)Cl	10200
+c1ccccc1C=Cc2nc(nc(c2)Cl)N	4679
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)(c3cc4c(nccc4C=Cc5ccccc5)cc3)O	10201
+CC(C)Cc1ccc(cc1C#N)[N+]([O-])=O	4868
+OB(O)CCCCn1cnc2c(Cl)nc(N)nc12	637
+c1(c(C)cc(C)cc1OC)-c2n3nc(CC)c(c3c(cc2)OC)[N+](=O)[O-]	4977
+c1(-c2c(Cl)cc(OC)cc2)cccc3c(c(nn13)CC)[N+]([O-])=O	4977
+[N+]([O-])(c1c(cccc1)-c2cc(OC)c(cc2)OC)=O	750
+c1cc(ccc1OCCOCCCC)-c2cc3C=C(C(=O)OC)CCCNc3cc2	750
+c1cc(ccc1OCCOCCCC)-c2cc3C=C(CCNc3cc2)C(=O)OC	750
+c1(C=O)c(ccc2cc(-c3cc(ccc3)OC)ccc12)OC	750
+c1cc(-c2cc(ccc2)CC(N)=O)cc(c1)OC	10202
+c1cc(ccc1S(=O)(=O)OCC2COc3c(c(ccc3)-c4ccc(cc4C)OC)O2)C	11
+Cc1oc(-c2ccc(OC)cc2C)cc1C=O	1242
+c12c(cc(-c3cc(ccc3C)F)cc1)cnc(N)c2	11
+c1cccc(c1C)-c2n3c(c(C)n2)c(nc4ccc(F)cc34)C	4978
+Cc1ccccc1-c2c(F)cc(cc2)OC	11
+c1(cc2c(ccc(-c3ccccc3C)c2)nc1Cl)CO	11
+Cc1ccccc1-c2cc3ccc(N)nc3cc2	11
+Cc1ccccc1-c2cc(ccc2)C(=O)N3Cc4cccn4Cc5c3cccc5	11
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OCC)-c4onc(C)c4Nc5nc(-c6ccccc6C)ccc5	119
+c1cc(ccc1-c2c(cccc2)C)C(Nc3ccc4nc(sc4c3)N(C)CCN(C)C)=O	134
+c1cc(ccc1-c2c(cccc2)C)-c3oc(C)c(CCOc4ccc(cc4)OC(C)(C)C(OCC)=O)n3	11
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(c(F)cc(c3)-c4c(cccc4)C)O2)C	11
+Cc1c(cccc1)-c2ncnc(Cl)c2[N+](=O)[O-]	198
+c1cc(ccc1)C2CCc3c4N2C(Nc4ccc3-c5c(C)onc5C)=O	10203
+C(=O)c1c(-c2c(ccc(c2)CC(OC)=O)OC)cc(cc1)OC	11
+O=Cc1ccc(OC)cc1-c2cnc(cc2)C(NCCC(OCC)=O)=O	89
+C(C)c1c(-c2c3N(C)C(=O)Nc3ccc2)cccc1	11
+c1c(-c2c(Cl)cc(c(N)c2)N)c(Cl)c(Cl)cc1	134
+c1cc(Cl)c(cc1Cl)-c2n3c(c(C)n2)c(nc4ccc(F)cc34)C	4978
+c1cc(ccc1)COc2nc3c(ncn3-c4c(Cl)cccc4Cl)cc2	10204
+Clc1c(cccn1)-c2ccnc(Cl)n2	10205
+COc1c(F)c(ccc1Br)-c2ncc(nc2)N	356
+n1cc(cnc1-c2ccc(c(F)c2F)OCc3ccccc3)Br	2294
+Clc1ccc(c(F)c1)-c2c(F)cncc2C(OC)=O	699
+Clc1cc(c(cc1)-c2cc(c(cc2)CC)[N+]([O-])=O)F	11
+n1cc(cnc1N)-c2ccc(cc2F)Cl	537
+c1(C)nc(Cl)nc(c1)-c2cc(OCC)ccc2F	198
+c1cc(ccc1)COc2ccc(c(c2F)-c3c(F)ccc(n3)C(=O)OC)F	119
+c1ccccc1COC(N2CCN(CC2C)Cc3cccc(-c4c(ccc(C#N)c4)F)c3)=O	11
+c1cc(ccc1-c2nc3ccc(-c4cc(ccc4F)C=O)cn3c2)Cl	89
+Nc1c(c(F)c(Cl)nc1)-c2cccnc2F	3103
+c1ccccc1C2CC(c3c(cc(c(-c4c(nccc4)F)c3)F)O2)=O	305
+c12c(cccc1)C(=O)N(C2=O)CCCCc3c4c5c(cccc5)nc(N)c4nn3CC	10206
+c1cc(N)c(cc1)-c2ncc(Cn3ccnc3)cc2	119
+c1ccc(c(c1)-n2nnnc2-c3c(-c4ccccc4N)cccc3)F	10207
+c1cc(c(cc1)-c2c(C)n(nc2C#N)CCCC)N	800
+n1(nc(c(-c2c(N)cccc2)c1C)C#N)C	800
+c1(Nc2cccc(CS(=NC(OCC)=O)(C)=O)c2)ncnc(n1)-c3cccc(Cl)c3OC	1582
+c1cc(ccc1-c2cc(c(F)cc2OC)F)O	134
+c1(ccc(cc1-c2c(cccc2)I)Br)OC	134
+c1(-c2c(cccc2)SC)nc3cc(cc(c3c(c1C)Cl)F)F	691
+c1cc(ccc1S(=O)(=O)OCC2Oc3c(cccc3C2)-c4c(c(ccc4)C)C)C	11
+COc1c(c(ccc1)O)F	2295
+c1ncncc1C2(c3c(c(ccc3)F)C(N)=N2)c4ccc(F)c(c4)-c5c(F)c(ccc5)OC	10208
+c1cc(ccc1-n2c(Cl)cc3c2c(O)c(c(O)n3)C#N)-c4cccc(OC)c4O	11
+c1(c(ccc(C(=O)O)c1)-c2nc3c(cc(OC)cc3)cc2)Cl	691
+c12c(cc(cc1)-c3cnc(F)cc3C)cnc(N)c2	305
+c1ccccc1CSc2ccc3c(c(nnc3c2)Br)-c4c(cc(c(c4)Cl)-c5cc(ccc5)F)OC	10209
+c1cc(ccc1OC)-c2cscc2-c3c(cc(cc3)C#N)C	1074
+Cc1ccc([N+]([O-])=O)cc1-c2ccc(C(=O)CC)cc2C	11
+Clc1ccc(c(Cl)c1)-c2cccc3c(n(C)nc23)C(=O)OC	1009
+Clc1ccc(c(Cl)c1)-c2cc(ccc2[N+]([O-])=O)F	11
+c1cc(ccc1)COc2nccc(-c3ccc(cc3Cl)Cl)c2[N+](=O)[O-]	699
+c1cc(ccc1)COC(N2CC(O)C(Nc3nc(CC)c(-c4ccc(OC)cc4Cl)nc3CC)C2)=O	356
+c1c(OC)ccc(-c2cnc(c(Br)c2CC)N)c1F	89
+c1cc(ccc1-c2sc(-c3ccc(cc3F)OC)cc2)C(O)=O	268
+c1cc(ccc1CO)Nc2cc(-c3c(ccc(Cl)c3)OCC)nc(N)n2	198
+c1cc(c(cc1)-c2cc(F)ccc2F)N	11
+c12cc3c(CC(C)C3=O)c(-c4cc(C)ccc4C)c1CCC2	11
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(O2)c(-c4c(C)ccc(C)c4)ccc3)C	11
+O(CC)C(c1cccc(-c2ccccc2-c3c(OC)ccc(Br)c3)n1)=O	119
+c1cccc(-c2ccc(CO)c(C)c2)c1Cl	11
+c1cc(ccc1Cl)C2=CC(=O)N(Cc3ccccc3)N=C2c4c(Cl)cccc4	4979
+c1cc(ccc1N2CCOc3nc(nc(N)c3C2=O)C)-c4c(Cl)cccc4	11
+c1cc(ccc1C(OCC)=O)-c2ccccc2Cl	11
+O=S(=O)(OCC1Oc2c(-c3ccccc3Cl)cc(cc2CC1)F)c4ccc(cc4)C	11
+c1cc(c(O)cc1)-c2ccccc2-c3nnnn3-c4c(F)cccc4	134
+n1c2c(c(Cl)cc1-c3ccccc3O)cccc2	691
+c1cc(ccc1-n2ccc3NC(=O)NC(c23)=O)-c4ccccc4O	11
+C1COCCN1c2cc(nc(-c3c(O)cccc3)c2)OCc4ccc(cc4)OC	140
+c1cccc(-c2ccc(cn2)C(=O)OC)c1O	140
+OB(O)c1c(-c2cc(ccc2)CC(N)=O)cccc1OC	3034
+c1cccc(-c2cc(cc(c2)C(=O)O)[N+]([O-])=O)c1OC	134
+c1cc(ccc1Cc2c(cccc2)OC)Br	10210
+c1cc(ccc1-c2ccccc2OC)S(=O)(=O)N3c4ccccc4Cn5c(C3)ccc5C(=O)NCc6cnccc6	11
+c1cc(ccc1OC)-c2c(-c3ccccc3OC)oc4ncnc(NCCCCCC(=O)OC)c24	1242
+c1cccc(-c2cnc(OCC(Nc3c(csc3)C(OC)=O)=O)cc2)c1OC	89
+c1cc(ccc1-c2c(cccc2OC)F)-n3ccc4NC(=O)NC(=O)c34	11
+Cc1ccccc1-c2c(Cl)cccc2OC	11
+c1cccc(-c2c(Cl)cccc2OC)c1Cl	11
+c1c(C)c(cnc1)-c2c(F)c(ncc2)C#N	3103
+c1cc(nc(-c2cc(ncc2Cl)F)c1)NCc3cc(ccc3)F	1238
+c1c(c(OC)nc(OC)n1)-c2cc3c(c(Cl)c(cn3)C(N)=O)cc2	10211
+O1CCOC1c2cnc(c(-c3nc(SC)nc(n3)C)c2)F	2234
+c1(c(nccc1)OC)-c2cc(-c3[nH]c(N)nc3)ccc2	305
+c1cc(ccc1)Oc2c(-c3c(nccc3)OC)cc(cc2)C#N	305
+O=C1c2c(cccc2)C(=O)N1C(c3ccc(cc3)-c4c(OC)nccc4)C	305
+C1CN(CCO1)c2cc(CNCc3ccccc3)nc(n2)-c4cccc5[nH]ccc45	3967
+c1cc(ccc1N2C(=NNC2=O)CC3CN(CC3)C(=O)C4CC4)-c5c6cc[nH]c6ccc5	4980
+n1c2cc(-c3c4cc[nH]c4ccc3)cc([N+]([O-])=O)c2cn1C5CCCCO5	10212
+c1cc(ccc1CC=2C(=O)N(C(C)=NC=2CCCC)c3cc(ccc3)Br)-c4ccccc4C#N	1778
+c1(cccc(c1)-c2ncccc2)Br	119
+c1c(cc(c(C)c1)-c2cc(Cl)nc(n2)N)Br	198
+c1(ccc(C=O)c(O)c1)-c2cccc(C#N)c2	11
+Cc1ccc(cc1-c2cc(ccc2)C#N)-c3nc4ccccc4o3	11
+c1(cc(ccc1)C#N)-c2ccc(cn2)C(=O)OC	140
+OB(O)c1cc(N)cc(c1)C(O)=O	0
+c1c(c(cc(-c2nc3c(ncnc3cc2)O)c1)C)OC	691
+O=Cc1cc(-c2ccnc(Cl)n2)ccc1F	198
+c1cc(ccc1-c2cc(CC)c(OC)cc2)C(=O)C	11
+c1(c(nccc1-c2cc(Cl)c(C(=O)OC)cc2)CC)C#Cc3cnc(cc3)N	699
+O=Cc1ccc(-c2n3c(nc2)ccc(NCCCC)n3)cc1F	1414
+n1cccnc1Nc2nc(cs2)-c3cn(Cc4ccc(cc4)OC)nc3-c5cc(ccc5OC)F	1624
+c1ccccc1COc2c(C=O)cc(cc2-c3c(ccc(F)c3)OC)C(OC)=O	11
+c1ccccc1CN2C(=O)C=C(C(c3ccccc3)=N2)C(n4nc(c5c(N)ncnc45)-c6cc(F)cc(O)c6)C	920
+c1(-n2c(cc(C)n2)C)nc(cc(NC(C)=O)n1)-c3cc(F)cc(O)c3	198
+c1c(OC)c(c(cc1-c2ccccc2C(=O)OC)OC)OC	11
+COc1cc(cc(OC)c1OC)-c2cc(ncn2)C	198
+O(c1cc(cc(OC)c1)-c2cc(C=O)c(cc2F)[N+](=O)[O-])C	11
+c1(cc(cc(OC)c1)-c2c(Cl)cc3c(c2)cnc(Cl)n3)OC	11
+COc1cc(cc(OC)c1)-c2cc3cnc(nc3cc2OC)Cl	11
+c12cc(-c3cc(ccc3)OC)cc(C)c1nc(nc2NC)-c4cnccc4	11
+Fc1c(C)ccc(c1)-c2cc(ccc2)OC	11
+c1cc(ccc1-c2c(sc(Cc3c(-c4cccc(OC)c4)cccc3)n2)CC(O)=O)F	11
+c1cc(ccc1OCc2c(oc(c2)C(=O)O)C)-c3cc(ccc3)OC	134
+c1ccccc1-n2cnc3cc(C#N)cc(-c4cccc(c4)OC)c23	10213
+c1(ccc(-c2cc(OC)ccc2F)c(Cl)n1)C(=O)OC	89
+Fc1c(Cl)ccc(c1)-c2ccc(c(CC(O)=O)c2)C	11
+C(O)Cc1cc(c(Oc2cc(F)c(Cl)cc2)cc1)F	472
+CC(C)(c1ccc(cc1)Cl)C=C(Cc2ccc(c(c2)Oc3ccccc3)F)F	10214
+c1cc(ccn1)-c2cc(c(OC)cc2)C=O	835
+c1cc(ccc1-c2c(C(NC)=O)c3cc(-c4cc(c(F)cc4)C(O)=O)c(Cl)nc3o2)F	89
+Clc1nc(nc(-c2ccc(c(OC)c2)OC)c1)N	198
+O(C)c1c(OC)ccc(c1)-c2cc(c(cc2)C#N)F	11
+c1cc(ccc1C(C(=O)Nc2c(nccc2)-c3ccc(OC)c(OC)c3)O)C	140
+c1(-c2ccc(OC)c(OC)c2)sc3nccn3n1	4944
+c1(cc(c(c(-c2c(N)nccn2)c1)Cl)Cl)Cl	696
+c1cc(ccc1)-c2nc(nnc2-c3cc(OC)cc(Cl)c3)N	3134
+OB(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1	77
+c1(cc(cc(c1OC)-c2cc(C(=O)O)ccc2)F)[N+]([O-])=O	11
+O=C(O)c1cccc(-c2cccc(C(=O)OC)c2)c1	11
+c1c(C(=O)O)cccc1-c2c3c(ccc2N)cccc3	11
+n1c(c2c(cccc2)c(n1)O)Cc3cc(c(cc3)F)-c4cccc(c4)C(O)=O	11
+c1cc(ccc1-c2nc3n(cc(cc3)-c4cc(C(O)=O)ccc4)c2C(=O)NC)F	89
+c1(C(c2ccccc2C)CC(c3cc(C)ncc3)=O)cccc(-c4cccc(c4)C(O)=O)c1	11
+c1(CO)cccc(-c2nc(C(Nc3c(c(ncc3C)C(=O)OCC)C)=O)c(cc2)C)c1	140
+n1c(ccc(-c2cc(CO)ccc2)c1)N	89
+c1nc(ncc1)-c2cc(CO)ccc2	2294
+c1cc(cc(c1)F)-n2c(C(OC)=O)c(c3ccccc23)C#N	1194
+c1(OC)cc(cc(-c2cc(F)ccc2)c1)C(=O)OC	11
+c1cc(-n2c(cc3c(Cl)cccc23)C(N(C)OC)=O)cc(c1)F	1194
+c1c(OC)ccc2c(ccnc12)OCc3nnc4n3nc(-c5cc(F)ccc5)cc4	519
+O=Cc1c(F)ccc(c1)-c2cc(ccc2)F	11
+c1(c(ccc(c1)-c2cc(ccc2)F)F)C(=O)O	11
+c1cc(cc(c1)-c2ccc3CCCC(=O)c3c2)F	11
+C1(CCc2c1cc(cc2)-c3cc(ccc3)F)=O	11
+c1cc(ccc1)S(=O)(=O)n2ccc3c(c(cnc23)-c4cc(F)ccc4)Cl	89
+c1cc(ccc1-c2cc(F)ccc2)C(CCC(OC)=O)=O	11
+C1c2c(NC(=O)C1)ccc(c2)-c3cc(ccc3)F	11
+n1cc(-c2cc(F)ccc2)nc(c1)N	696
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4c3cc(-c5cc(ccc5CO)F)cc4)N	134
+Clc1cc(c(cc1)F)-c2cncc(c2)NC(C(=O)N)c3c(cccc3)Cl	89
+Clc1ccc(c(c1)-c2cc3C4(c5cc(cnc5Oc3cc2)OCC(=O)C)N=C(N)OC4)F	11
+c1cc(ccc1C)C(C(N)=O)Nc2cncc(-c3c(F)ccc(Cl)c3)c2	89
+c1c(I)cc(c(F)c1)O	2295
+c1ccccc1COc2ccc(c(C=O)c2)-c3cc(ccc3OC)C(C)C	11
+c1(c(cc(Br)c(OC)c1)OC)-c2cc(ccc2OC)OC	11
+c1(cc(c(cc1)OC)-c2cccc3c(c(C(NCCCC)=O)nnc23)N)OC	1009
+O=S(=O)(C)c1cncc(-c2ccc3n(cc(n3)NC(C)=O)n2)c1	2512
+O=S(=O)(C)c1cncc(-c2c3c(n(n2)C)nc(nc3)N)c1	10215
+c1c(C)cc(C)c(-c2cc(ncc2Cl)Cl)n1	1238
+C(c1c(cccc1)F)(=O)Nc2nc(c(cc2)-c3cc(nn3C)-c4ccco4)N	10216
+C(N1C(c2c(C(=C1)C(=O)OC)cc(c(c2)OC)O)=O)C	2295
+CC1(C)OC(Nc2ccc(cc12)-c3cc(cc(c3)F)Br)=O	11
+c1cc(ccc1CC=2C(=O)N(C(C)=NC=2CCCC)c3ccc4OCCc4c3)-c5ccccc5C#N	1778
+c12cc(ccc1CC(=O)CC2)-c3ccc4OCOc4c3	11
+c1(F)cc(cc(F)c1)-c2cc(nc3c(c(nn23)C)-c4ccc5OCOc5c4)N6CCCC6CO	3003
+c1cc(ccc1CC#N)-n2c3c(nc2)cnc4c3cc(cc4)-c5ccc6OCOc6c5	11
+c1cc(ccc1COc2cc(-c3ccc4OCOc4c3)cc(Nc5cccnc5)c2)OC	11
+c1c(cc2ccc(Br)cc2c1)-c3cc4ccccc4c5ccccc35	11
+c1cc(ccc1Br)-c2c3ccccc3c4c(cccc4)c2	134
+c1ccccc1C(CC)C(Nc2ccc(-c3ccc4cc(OCC)ccc4c3)c(C(N)=O)c2)=O	134
+c1cc(ccc1)-c2nc(nnc2-c3cc4ccoc4cc3)N	3134
+c1cc(ccc1-c2cc3c([nH]cc3)cc2)C#N	11
+c1cc(ccc1-c2ccc(nc2F)-c3ccc(cc3)CCCCCCCCC)CCCCC	305
+c1cc(ccc1NC#N)-c2ccc(C#N)n2C	3730
+c1cc(ccc1Br)-c2ccc(C(C)=O)s2	1373
+C(c1sc(cc1)-c2c3nc(ccc3cnc2)C(NCc4occc4)=O)(=O)O	10217
+Cc1cc(c(-c2c3c([nH]cc3)ncc2)cc1)C	3032
+c1([N+]([O-])=O)cccc(-c2ccc(C)cc2C)c1C(=O)OC	667
+C1C(CC1)c2ccc(-c3cc4[nH]cnc4nc3)c(c2OC)F	1151
+c1(cc2c(cc1OC)n(-c3nc(-c4cc(Cl)c(Cl)cc4)c(C(OC)=O)s3)cn2)OC	10218
+c1ccccc1[Si](c2ccccc2)(OCCC(=C)c3ccc(c(c3)Cl)Cl)C(C)(C)C	10219
+c1cc(ccc1C(Nc2c(Cl)ccc(B(O)O)c2)=O)OCc3ccccn3	67
+c1ccccc1NC(c2cc(ccc2F)-c3c(ncn3C)-c4nccc(C#N)c4)=O	1234
+c1(cc(-c2nc(CC)[nH]c2)ccc1F)C	1234
+C(CCCCC)Oc1c(F)c(-c2ncccc2)ccc1F	119
+n1cccc(C(=O)OC)c1-c2ccc(cc2F)F	140
+O=Cc1ccc(-c2ccc(cc2F)F)c(F)c1F	11
+Fc1cc(ccc1-c2c(C(C)=O)cccc2)F	11
+c1c(ccc(-c2nnc(N)nc2)c1F)F	3134
+c1c(ccc(c1F)-c2cncc3c2cc(cn3)C(=O)N)F	1151
+n1c(-c2cc(c(cc2)OC)F)c(C)ccc1	119
+c1c(OC)c(cc(-c2c3cc(NC(C)=O)cnc3n(C)n2)c1)F	4981
+c1cc(ccc1)N(c2cc(nn3c2ncc3)-c4cc(c(cc4)F)C#N)Cc5ccc(cc5)OC	519
+c1cc(ccc1F)C(C)(C)CNc2nnc(-c3ccc(c(c3)C#N)F)cc2	519
+c1cc(ccc1F)C(C)(C)CNc2ncc(cn2)-c3cc(C#N)c(F)cc3	537
+CC(C)COc1c(cc(-c2c(Br)c(c(C(OC)=O)s2)F)cc1)C#N	268
+c1c(-c2cc(C)c(cc2)C)ncc(N)n1	356
+N#Cc1c(cc(-c2cccc3c2CCCC3=O)cc1)F	11
+c1cc(ccc1)Nc2nc(N)nc(c2)-c3ccc(c(c3)F)C#N	198
+c1nc(ncc1-c2c(F)c(c(CCCCCCCC)cc2)F)-c3ccc(OCCCCCC)nc3	537
+c1c(c(c(c(O)c1)F)F)CCCCCCCCC	2295
+O1CCOC1CCc2ccc(cc2)-c3c(F)c(c(cc3)OCC)F	11
+c1cc(ccc1CCCC)-c2ccc(cc2)-c3c(F)c(c(C#Cc4ccc(cc4)CCCC)cc3)CCC	134
+c1cc(ccc1CCCCCCCCC)-c2cccc(F)n2	119
+c1cc(ccc1NS(=O)(=O)C)-c2nnc(Cl)cc2	519
+c1cc(ccc1-c2cc(F)ccc2)O	134
+c1cc(ccc1O)-c2cc3ccc(nc3cc2)C(=O)OCC	11
+c1cc(ccc1-c2nc(C(=O)OC)ccc2)O	119
+c1cc(ccc1O)-c2cc3ccc(N)cc3cc2	11
+c1cc(ccc1O)-c2nc(Cl)cnc2	696
+c1cc(ccc1O)-c2c(c(-c3c(cc(cc3)OC)F)cnc2N)CC	89
+c1cc(ccc1O)-c2cc3C(=O)C=C(Oc3cc2)C(OCC)=O	134
+c1cc(ccc1O)-c2cc3nccc(Oc4ccc([N+]([O-])=O)cc4F)c3s2	4982
+c1cc(ccc1OCc2cn3c(cc2)nc(n3)-c4ccc(cc4)O)C(CC(=O)OCC)C#CC	4983
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(nc4)c(C)c(cc5)-c6ccc(cc6)O	495
+c1cc(ccc1-c2ccc(C#N)cn2)O	119
+c1cc(ccc1-c2c3n(nc2C)c(cc(N4CCCC4CO)n3)-c5cc(F)c(F)cc5)OC	3003
+c1cc(ccc1-c2ccccc2[N+]([O-])=O)OC	134
+c1cc(ccc1-c2cnc(C(OC)=O)cc2C)OC	89
+c1cc(ccc1OC)-c2cc(ccc2N)CCC	134
+c1cc(ccc1-c2cc(ccc2OC)C=O)OC	11
+c1cc(ccc1OC)-c2sc(C(=O)OC)c(C)c2C	268
+c1cc(ccc1-c2cn(-c3ccnc(SC)n3)c4c2ccc(-c5cc(ccc5)[N+]([O-])=O)c4)OC	550
+c1cc(ccc1-c2c3ccc(-c4cc(ccc4)[N+]([O-])=O)cc3n(-c5cc(NC)ncn5)c2)OC	550
+c1cc(ccc1-c2ccc3c(cc(C(=O)OCC)[nH]3)c2)OC	11
+c1cc(ccc1OC)-c2ccc(c(F)c2)Br	134
+c1cc(ccc1OC)-c2ccc3n(c(c(c3c2)C)-c4ccccc4)C	11
+c1cc(ccc1-c2ccc3c(c2)c(CCCCC)c(n3C)-c4ccccc4)OC	11
+c1cc(ccc1-c2c3c(ccc2)n(c(c3C)-c4ccccc4)Cc5ccccc5)OC	495
+c1cc(ccc1OC)-c2cc3c(n(Cc4ccccc4)c(C)c3C)cc2	11
+c1cc(ccc1OC)N2C(C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)N=C2CC)=O	1778
+C1CC1C(=O)N2CC(CC2)CC3=NNC(N3c4ccc(cc4)-c5ccc(cc5)OC)=O	11
+c1cc(ccc1Oc2c(cc(N)c(C)c2)C)-c3ccc(cc3)OC	11
+c1cc(ccc1S(=O)(=O)Nc2cc(no2)C)-c3ccc(cc3)OC	11
+c1cc(ccc1-c2ccc(cc2)OC)C(OCC)=O	11
+c1cc(ccc1-c2ccc(cc2)C=Cc3[nH]c(cn3)-c4ccc(Cl)cc4Cl)OC	11
+c1cc(ccc1-c2[nH]c(nc2-c3ccncc3)-c4ccc(cc4)Cl)-c5ccc(cc5)OC	11
+c1cc(ccc1OC)-c2ccc(cc2)-c3nc(CCOc4ccc(cc4)OC(C)(C)C(=O)OCC)c(C)o3	11
+c1cc(ccc1OC)-c2c3c(cccc3)c(Br)cc2	134
+c1cc(ccc1-c2c3c(n(C)c(-c4ccccc4)c3C)ccc2)OC	495
+c1cc(ccc1OC)-c2ccc(cc2)C(c3ccccc3)C(OC)=O	11
+c1ccccc1COc2cc(cc3c(cc(nc23)C(OC)=O)O)-c4ccc(cc4)OC	11
+c1cc(ccc1)Cc2c3cc(ccc3n(C)c2C)-c4ccc(cc4)OC	11
+c1cc(ccc1-c2cn(c3cc(ccc23)-c4cc(ccc4)[N+]([O-])=O)-c5ccncc5)OC	550
+c1cc(ccc1-c2c(C)ccc(C(NC)=O)c2)OC(C(O)CCc3cnccc3)C	11
+c1cc(ccc1CC(O)=O)-c2ccc(cc2)OC(C)C(CCc3cnccc3)O	11
+c1cc(ccc1OC(C)C)-c2cc(Cl)cc(n2)Cl	140
+CC(C)Oc1ccc(cc1)-c2cc3cc(C(=O)OCC)[nH]c3cc2	11
+c1cc(ccc1-c2ccccc2C#N)CC=3C(N(c4ccc(cc4)OC(C)C)C=NC=3CCC)=O	10220
+c1cc(ccc1OCC2CC2)-c3cc(NC(Cc4ccccc4)C(OC)=O)ncn3	198
+O=S(=O)(C)c1ccc(cc1)-c2cc(ccc2F)-c3cn[nH]c3-c4nc(ccc4)C	11
+c1cc(ccc1-c2ccc3c(cnnc3c2)O)S(=O)(=O)C	495
+c1cc(ccc1S(=O)(=O)C)-c2ccc3cnc(SC)nn23	10221
+c1cc(ccc1-c2cnc3c(N(Cc4ccccc4)C(=O)CN3)c2)S(=O)(=O)C	796
+c1cc(ccc1-c2ccc3c(c(C(=O)OCC)n(c3c2)Cc4cccc(Cl)c4)NC(=O)c5ccc(cc5)Cl)S(=O)(=O)C	495
+c1cc(ccc1C)S(=O)(=O)N2CC(N(C(C)=O)c3cnc(cc23)-c4ccc(cc4)S(=O)(=O)C)C	119
+c1cc(ccc1)CN2CCC(CC2)COc3ccc(-c4ccc(cc4)S(=O)(=O)C)cn3	89
+c1ccccc1COC2CC(CCC2)Oc3c(cc(cc3F)-c4ccc(cc4)S(=O)(=O)C)F	11
+c1cc(ccc1)Oc2c(ccc3c2CCC(C)N3C(C)=O)-c4ccc(cc4)S(=O)(=O)C	11
+C1CC(CCC1Oc2c(F)cc(cc2F)-c3ccc(cc3)S(=O)(=O)C)Oc4ncc(cn4)CC	11
+c1cc(ccc1S(=O)(=O)C)-c2cccn3nc(N)nc23	1805
+CC(C)S(=O)(=O)c1ccc(cc1)-c2ncc(nc2)N	356
+c1cc(ccc1-c2cc(ccc2OC)-c3n(c(cc3C)C(OC)=O)C)S(=O)(=O)N	11
+c1cc(ccc1S(=O)(=O)N)-c2cc(-c3c(C)c(c(s3)C(OC)=O)C)ccc2OC	11
+c1cc(ccc1S(=O)(=O)NC)-c2cnn3ccc(C(=O)N(c4ncc(C#N)cc4)CC)cc23	4785
+c1cc(ccc1SC)-c2cccc(C=CC(N(OC)C)=O)c2	11
+c1cc(ccc1N2N=CC(=C(OC)C2=O)c3ccc(cc3)SC)F	10222
+c1cc(ccc1)COCN2C(=O)C(=C(N(C)C2=O)c3ccc(cc3C)OCOC)C	4580
+c1ccccc1COc2cc(c(cc2)-c3nc(ccc3)-n4c(ccc4C)C)C5CC5	119
+C1CCC(C1)c2cc(OCc3ccccc3)ccc2-c4nc(ccc4)-n5c(ccc5C)C	119
+c1(F)c(c(Cl)ccc1)-c2cc3c([nH]2)ccc(-c4ccc(OC)cc4OC)c3	11
+Clc1c(-c2cnc(C)cc2)ncc(c1)C(=O)OC	3081
+n1cc(cnc1CCCCCCCC)-c2ccc(cc2)-c3cc4CC(Cc4cc3)CCCCCCCC	11
+c1c(ccc2c1OCCO2)-c3n4c(cc(c3)C)nc(N)n4	10223
+c1(N)cnc(-c2cc3cnn(C)c3cc2)cc1	119
+C1CC2(CCN1S(=O)(=O)c3ccc(cc3)-c4ccc5cccnc5c4)OCC(=O)N(C2)C6CC6	4980
+c1ccnc(c1)-c2c(OC)ccc(-c3cc4c(cccc4)cc3)c2OC	11
+c1cc2ccccc2cc1-c3cc(ccc3)Br	134
+c1cc(ccc1CC2=C(N=C(N(C2=O)c3cccc(C(C)=O)c3)C)CCCC)-c4ccccc4C#N	1778
+C(C)OC(=O)c1cccc(c1)-c2ccc([N+]([O-])=O)cn2	140
+c1cc(ccc1-c2cccc(C)c2)C(=O)OCC	11
+c1ccccc1COc2c3nc(cc(O)c3cc(-c4cccc(C)c4)c2)C(OC)=O	11
+c1cc(ccn1)-c2nc(NCC(N)Cc3ccccc3)ccc2-c4cccc(C)c4	89
+c1(cc(cc(C)c1-c2cc(ccc2)C=O)O)C	11
+c1cc(ccc1)Cn2ncc(c2)C(=O)Nc3c4c(n(S(=O)(=O)c5ccc(cc5)C)c3)ncc(c4)-c6cccc(C=O)c6	89
+c1(cc(-c2ccnc(Cl)n2)ccc1)C=O	198
+c1(cc(-c2scc(Cl)n2)ccc1)C=O	10224
+c1c(CCO)cc(cc1)C=2C=CC(=O)N(Cc3cc(C(=O)OC)ccc3)N=2	4979
+Clc1cccc(-c2c(F)cccc2OC)c1	11
+Clc1cccc(c1)-c2c(ccc(CO)c2F)OC	11
+Clc1cccc(c1)Oc2cc(OC)ccc2C3CN(C(=O)C3)c4cccc(C(=O)N)c4	472
+Clc1cccc(c1)-c2c(ccc(n2)C(=O)O)OC	119
+Clc1cccc(c1)-c2c(ccc(C)n2)OC	119
+c1ccccc1Cn2ccc3c2cc(-c4cc(Cl)ccc4)cc3	495
+c1nc(ncc1OCC)-c2cc(Cl)ccc2	345
+n1cc(cnc1-c2cc(Cl)ccc2)OCCOC	345
+Clc1cccc(-c2n3c(nc2)ccc(Cl)n3)c1	1414
+c1nc(ncc1)-c2cc(Cl)ccc2	345
+Clc1cccc(c1)-c2c(ncn2C)-c3cc(C#N)ccn3	1234
+O(c1cccc(NC(C)=O)c1)c2cnc(cc2)Cl	10225
+c1ccccc1-n2cnc3c2c(cc(C#N)c3)-c4cc(ccc4)NC(C)=O	4745
+c1cc(ccc1Cl)CN2C(N(c3cc(NC(C)=O)ccc3)N=C(Br)C2=O)=O	4984
+c1(c[nH]c2c1c(ncn2)-c3cc([N+]([O-])=O)ccc3)C(=O)OCC	10226
+c1c(c2c(sc(NC(c3sc(C)cc3)=O)n2)c(c1)-c4cc([N+]([O-])=O)ccc4)OC	10227
+c1cc2c([nH]1)cc(cc2)-c3cc(ccc3)[N+]([O-])=O	495
+c1(OC)c(Br)cc(cc1-c2cc([N+]([O-])=O)ccc2)CCN3C=CC=CC3=O	3022
+c1cc(ccc1C(=O)OCC)-c2ccc(OC)c(-c3cc(ccc3)[N+]([O-])=O)c2	11
+c1cc(ccc1Cc2cc(c3c(CCO3)c2)-c4cc([N+](=O)[O-])ccc4)F	11
+c1(-c2cc([N+]([O-])=O)ccc2)ccnc(Cl)n1	198
+c1c(N)cc(-c2c3nc(Cl)nc(c3sc2)N)cc1	4680
+c12cc(ccc1nc[nH]2)Nc3nc(-c4cc(ccc4)N)cn5ccnc35	356
+n1c(c2c(cccc2)c(n1)O)Cc3cc(c(cc3)F)-c4cc(N)ccc4	11
+c1cc(-c2cc(ccc2)N)ncc1Br	3342
+C1CN(CCN1C)c2ccc(cc2)Nc3ncc4cccc(c4n3)-c5cccc(N)c5	1009
+OB(O)c1cc(ccc1)NC(=O)Nc2ccc(cc2)Cl	124
+C1CN(CCN1c2ccc(cc2)Nc3ncc4cccc(c4n3)-c5cccc(N)c5)C(O)C	1009
+c1cc(ccc1-c2cccc(N)c2)S(=O)(=O)NC	11
+c1ccccc1Nc2c3nccn3cc(-c4cccc(c4)N)n2	356
+c1c(N)cc(-c2ccc3n(cc(NC(C)=O)n3)n2)cc1	519
+c1cc(ccc1OC)-c2cc(O)ccc2	134
+c1cc(ccc1OC)COC=2C(N(C(c3cc(O)ccc3)=NC=2)C)=O	10228
+c1(-c2nc(NC3COCC3)c(c(Cl)n2)C)cc(ccc1)O	345
+n1cc(-c2cc(ccc2)O)cc(NC(c3cc(OC)c(C)cc3)=O)c1	89
+[N+]([O-])(=O)c1c(ccc(-c2cc(OCC)ccc2)c1)F	11
+c1cc(ccc1-c2cc(OCC)ccc2)C=O	11
+n1cc(cnc1-c2cc(ccc2)OCC)C(=O)O	345
+n1c(ccc(F)c1-c2c(c(ccc2)F)F)C(=O)O	119
+c1(sc(-c2c3ccccc3ccc2)c(C)n1)C(=O)OCC	2713
+c1cc(ccc1NC(=O)Nc2c(OCCC)c(cc(-c3c(cccc3)-c4nnn[nH]4)c2)C(c5ccccc5)C=C)C	11
+c1cc(ccc1Cl)CN2C(=O)C(Br)=NN(c3c(CO)cccc3)C2=O	4984
+Fc1ccccc1Nc2c(c(cnc2)-c3c(F)cccc3)C(=O)OC	89
+c1c(c(ccc1)F)-c2ncc(cc2)[N+]([O-])=O	119
+c12c(c(c(cc1c3cc(C#N)ccc3o2)F)O)-c4c(cccc4)F	10229
+n1c(NC(CC)C)cc(C(=O)OC)cc1-c2ccccc2F	140
+c1c(c(ccc1)F)-c2nc(c(cc2)[N+]([O-])=O)N	140
+c1cc(ccc1OC)-c2c3c(oc2-c4ccccc4F)ncnc3NCCCCCC(=O)OC	1242
+c1cc(ccc1C)S(=O)(=O)n2c3c(c(-c4c(cccc4)F)c2)cc(-c5cc(C(N6CCOCC6)=O)ccc5)cn3	10230
+C1CCCN1C(=O)Cn2nc(-c3c(cccc3)F)c4c(Cl)c(-c5ccccc5)nnc24	4981
+c1nc(ncc1-c2c(cccc2)F)-n3cc(c4c3cc(C(=O)OC)cc4)SC	537
+c1cnccc1-c2ccccc2[N+](=O)[O-]	835
+Clc1cc2ncc(-c3cc(Cl)ncc3)n2cc1	10231
+CC(=O)c1cccc(c1)-c2ccnc(Cl)c2	498
+c1cc(ccc1-c2ccnc(c2)C)CNc3nccc4cc(ncc34)-c5cc(C)ncc5	1299
+c1cc(ccc1-c2ccnc(C)c2)CN	498
+c1c(nc2ccnc(Cl)c2c1)-c3cc(ncc3)C	10232
+C(c1cc(C)c(-c2cc(F)ncc2)nc1)C(=O)O	1299
+n1c(cc(-c2nc(ccc2)-c3cnc4ccc(nn34)N5CCCC5c6cc(ccc6)F)cc1)F	1238
+Clc1c(-c2c(-c3cc(F)ccc3)nc(cn2)N)ccnc1	3712
+c1([N+]([O-])=O)ccc(Cl)c(-c2c(cncc2)F)c1	498
+c1cc(ccc1)S(=O)(=O)Cc2ccc(c(O)c2C(OCC)=O)-c3ccoc3	1628
+c1c(cc(-c2ccsc2)cc1F)Br	1384
+O(CC)c1cc(-c2cscc2)cc(OCCCCCCc3cccc(c3CCC(OCC)=O)OCCCC(=O)OCC)c1	1384
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(-c3ccsc3)cc(C(C)=O)c2	1384
+O=S(=O)(C)c1cc2[nH]c(-c3ccc(cc3)-c4cscc4)nc2cc1	1384
+c1cc(ccc1CC(O)=O)-c2cscc2	1384
+c1cc(ccc1C#N)-c2ccc(nc2)F	305
+n1c(OC)ccc(c1)-c2sccc2C	10233
+n1cc(cnc1-c2cnc(OCCCCCC)cc2)Br	10234
+c1nc(ncc1-c2ccc(OCCCCCCCC)nc2)-c3ccc(c(F)c3F)OCc4ccccc4	4985
+c12c(NC(CC)C=3N=C4N(C(=CC=C4)C)C(=O)C=3c5cc(F)cnc5)ncnc1nc[nH]2	10235
+n1cc(-c2cc3c(n[nH]c3cc2)C(Nc4cccnc4)=O)cc(F)c1	305
+c1cc(ccc1O)CCNc2c3c(n(C(C)C)cn3)cc(-c4cc(F)cnc4)n2	10236
+c1ccccc1-c2ccc(Cc3cncc4ccccc34)cn2	10237
+c1(C)c([N+]([O-])=O)cnc(-c2cnccc2)c1	4787
+c1(C2=NN(Cc3cc(ccc3)C(=O)OC)C(=O)C=C2C)cnccc1	10238
+c1(C=O)cc(-c2cnccc2)c(cc1)CC	305
+C1CC(CCN1c2c(cncc2Cl)-c3cccnc3)C(N)=O	10239
+C1CCCC(n2c3ccc(-c4cnccc4)cc3c(C(=O)OC)n2)O1	305
+c1(-c2cnccc2)ccc([N+]([O-])=O)c(N)n1	3081
+c1cc(ccc1)C(N2CCNc3ncc(-c4cnccc4)cc23)=O	4763
+c1cc(ccc1-c2cccnc2)-c3[nH]c4c(ccc(S(=O)(=O)C)c4)n3	305
+c1cc(ccc1OCCc2nc(-c3ccc(cc3)-c4cccnc4)oc2C)OC(C)(C)C(OCC)=O	305
+O=C1N(C)c2ccc(-c3cc(cnc3)-c4cnccc4)cc2C1	1168
+n1cc(cnc1N2CCc3c4ccccc4[nH]c3C2c5ccc6c(OCO6)c5)-c7cccnc7	4985
+n1cc(cnc1)-c2cc(C3(c4c(C(N)=N3)nccc4)c5cc(OCCCF)ncc5)ccc2	10240
+n1cc(cnc1)-c2cc3c(C=C(C(OCC)=O)CC(=N3)N)cc2	10241
+c1cc(ccc1NC(c2cc(c(nc2)Cl)-c3cncnc3)=O)OC(F)(F)Cl	10242
+n1cc(cnc1)-c2nccc(Nc3cc([N+](=O)[O-])ccc3C)n2	10243
+c1c(-c2cc3ccccc3o2)ccc4cc(OC)ccc14	3062
+C=CCN(CC=C)S(=O)(=O)c1cnccc1NS(=O)(=O)C=Cc2ccc(cc2)-c3cc4ccccc4o3	3062
+N#Cc1cncc(-c2cc3ccccc3o2)c1Nc4ccc5[nH]ccc5c4C	10244
+c12c(nnc(c1c(N)ccc2)O)Cc3ccc(F)c(c3)-c4occc4	1752
+c1cc(N)c(cc1)-c2ccco2	1752
+c1cc(ccc1)CN2CCC(CC2)Nc3c(cnc(NCc4ccccn4)n3)-c5ccco5	10245
+c1cc(ccc1C(=O)N(C(C)C)Cc2ccccc2O)-c3occc3	1752
+c1ncn(c1)Cc2cnc(cc2)-c3sc4c(cccc4)c3	10246
+c1(ccc2cc(ccc2c1Br)-c3sc4c(cccc4)c3)OCC#N	2187
+c1(ccc2cc(ccc2c1Br)-c3sc4c(cccc4)c3)OCC(=O)OCC	2187
+N=1C(=CC(=O)N(C=1N)C)CCc2cccc(-c3cccs3)c2	809
+C1c2c(C(=O)N1C)ccc(-c3cccs3)c2	809
+Nc1cc(-c2cccs2)ccc1[N+]([O-])=O	809
+c1c(CCCCC)c(cc(-c2cccs2)c1)F	809
+c1cc(ccc1C(CC2CCCC2)C(=O)Nc3sccn3)-c4sccc4	809
+c1cc(ccc1O)CNc2c(ncc(n2)-c3cccs3)N	10247
+c1cc(ccc1OC)-c2sccc2	809
+O=S(=O)(c1ccc(cc1)-c2cccs2)Nc3c(OC)ccc(c3)Br	1373
+c1cc(c2c(c1)C(=O)C(C)C2)-c3ccccn3	214
+Brc1c(Br)cc2c(c1)NC(=O)C(=O)N2	2966
+C(C1C(CCCC1)C(NCC#N)=O)O	21
+c1(F)c(cc(c(Br)c1)F)CCC(=O)O	159
+c1cc(CCC(=O)O)cc(C)c1C	159
+c1cc(ccc1Cl)-c2c(OCCCCC(=O)O)ncc(c2)C(=O)NC3CCCCC3O	10248
+c1cc(ccc1)COC(CN(CC2CCCCC2)C(c3cc4c(cccc4)cc3N)=O)=O	3257
+c1ccccc1CN(C(=O)c2c(N)cc3c(cccc3)c2)CCC(OCC)=O	30
+c12ccsc1c3c(cn2)nc(C(C)O)n3C4COCCC4	10249
+C(CC)(CC(C(N)=O)=O)C([N+]([O-])=O)C	1363
+c1cc2-c3c(cccc3)C(NC(=O)C(O)C)C(=O)Nc2cc1	207
+n1c(nc(cc1NCC(O)C(OC)=O)C(=O)N)Cl	40
+[N-]=[N+]=Nc1cc(O)c(cc1)C(=O)NC(C(C)O)C(=O)NCC	1007
+CC(C)CC(C(O)CCC)C(=O)OC	2616
+c1cc(ccc1Cc2ccc(cc2)CN3CCOCC3)C(=O)NC(C(=O)OC)C(O)C	259
+c1ccccc1COC(=O)N2CCCC2(Cc3ccccc3)C(NC(C(OC)=O)C(C)O)=O	188
+c1ccccc1COc2c(C(=O)NC(C(OC)=O)C(O)C)ccc([N+]([O-])=O)c2	3401
+O=C(O)C(C(C)O)Nc1ccc(C#N)c(Cl)c1C	945
+N(c1cc(Cl)c(cc1)C#N)C(C(C)O)C(=O)O	945
+c1ccccc1CCCOC(=O)NC(C(O)=O)C(O)C	544
+c1cc(ccc1)CNC(CC)C(O)C	42
+c1(cc(F)c(cc1)F)C(N)C(C)O	840
+c1cc(ncc1Br)C2=NOC(CNC(C)=O)C2	10250
+c1ccccc1COCCCCCCCCCCCSC(=O)C	4157
+c1nc(n2c1cncc2)CCSC(=O)C	4893
+c1cc(ccc1-c2noc(C(C)O)c2)F	1814
+C(C)(O)C#Cc1n2c(nc1)ccc(Br)n2	10251
+c1ccccc1COC=2C(=O)C=C(OC=2C(O)C)C	3130
+c1ccccc1COC2=C(C(O)C)OC=CC2=O	3130
+C(CCO)CCC(O)C	21
+c1(cc(ccc1O)Nc2c3c(cccc3OC(CN)C)ncn2)Cl	1111
+c1c(Br)cc2CN(C(c2c1)=O)CC(O)C	10252
+c1cc(ccc1Cl)CCNCC(O)C	132
+c1cc(ccc1F)-c2nc(SC)n(C)c2-c3cc(ncc3)NCC(O)C	182
+c1cc(ccc1F)Cc2cnc3C(O)=C(C(=O)N(CC)c3c2)C(=O)NCC(O)C	1112
+c1cc(ccc1)-c2c3c(cn2CC(C)O)N(C)C(N(C3=O)C)=O	10253
+C1(c2c(C(=O)N1C(C)C3=C(Br)C(N4C(C)=CC=CC4=N3)=O)cccc2)=O	4798
+o1nc(cc1-c2cc(CCC(=O)C)ccc2)C(=O)OC	10254
+c1cccc(CC(OC)=O)c1OC(C=C)CC	10255
+c1cc(ccn1)C(Cn2c3c(c4cc(ccc24)C)CN(CC(O)C)CC3)O	28
+c1(cc(cc(I)c1O)C(=O)c2c(CCC(=O)OC(CC)C)oc3c2cccc3)I	27
+c1ccccc1COC(NCCC(=O)NCC(O)CC)=O	9
+n1cc(OC)cc(c1)C=CCC(O)C	1514
+CCCCC(=O)CC=CI	10256
+N(CC(O)CCC)c1nc(N)nc2CCCCc12	40
+CCCCC(=O)C#CC	10257
+c1cc(ccc1C)S(=O)(=O)OCCC(C)O	36
+s1cc(CCC=O)nc1	1156
+c1ccccc1C(=O)OC2C(CN(CC(O)CC#N)CC2)F	53
+OC(CN(CC(O)=O)CCNCC(=O)O)=O	3
+c1cc(ccc1-c2cncc(C#N)c2)C(C)(C)C(=O)NCC(c3occc3)O	9
+c1cc(ccc1Cl)CNC(C=2C(c3cc(CN(CC(c4cccn4C)O)C)sc3N(C=2)C)=O)=O	822
+c1cc(ccc1Cl)CNC(=O)C=2C(=O)c3sc(CN(C)CC(c4occc4)O)cc3N(CC(=O)N(C)OC)C=2	822
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(sc(CN(CC(c4occc4)O)C)c3)N(CC)C=2)=O	822
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(O)CC(OCC)=O	604
+c1cc(ccc1Br)OCC(O)CO	72
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(C(NCC(CO)O)=O)cnn14	1339
+c1cc(ccc1Br)OCc2csc3c(C(=O)NCC(CO)O)cnc(N)c23	2443
+c1c2c(ccc1)nc3c(cccc3)c2NCC(CO)O	105
+O1C(CO)CNC(C1)=O	467
+c1cc(ccc1OCc2ccccc2)CCCCn3c(ncc3)CC(O)CO	4452
+c1c(C#N)cc(OC(COC)C)cc1Br	57
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3[nH]c(C(OCC)=O)cc3c2	1346
+O=S(=O)(OC(COC)CC)c1ccc(cc1)C	36
+c1c(I)cc(c(Nc2c(C(NOCC(O)C)=O)ccc3cncn23)c1)F	1546
+c1cc(c(NC(Cc2c(cccc2)-n3nnnc3)=O)c([N+]([O-])=O)c1)O	33
+c1cc(ccc1C#N)CCNC(Cn2cnc3N(C(N(C)C(c23)=O)=O)C)=O	9
+c1(c(cccc1NC(=O)C2N(CC(C2)F)C(=O)Cn3nc(C(N)=O)c4ccccc34)-c5c(Cl)cc(c(F)c5)F)F	348
+c12nnc(C)n1nc(-c3ccccc3F)cn2	4743
+c1cc(ccc1-c2c(C3=NOC(=O)N3)cccc2)CC=4C(N(c5n(C=4CCC)nc(C)n5)C(COC)C)=O	618
+c1cc(ccc1CC2=C(n3ncnc3N(CC(=O)N)C2=O)CCC)-c4c(C5=NOC(=O)N5)cccc4	618
+c1cc(ccc1N2C=NC(=C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)C2=O)CCC)OC(C)C	618
+c1cc(ccc1OC)C(CN2C(C=C(CCC)N(C2=O)Cc3ccc(cc3)-c4c(cccc4)C5=NOC(=O)N5)=O)=O	1671
+c1cc(ccc1-c2c(C3=NOC(=O)N3)cccc2)CC=4C(=O)N(C(=NC=4CCCC)C)c5ccc6OCCc6c5	618
+c1cc(ccc1CN2C(=O)C(c3ccccc3)=C(N=C2SCC)C)-c4c(cccc4)C5=NOC(=O)N5	1671
+c1cc(ccc1OC)N2C(CC)=NC(CCC)=C(C2=O)Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4	618
+c1cc(ccc1)C(c2ccccc2)(C(N)=O)CC3CCN(CC3)Cc4ccccc4	3797
+[O-][NH+]1C=2C(=O)c3ccccc3C=CC=2C=CC1=O	10258
+N(C(C=C(OC)C)=O)c1cc([N+]([O-])=O)ccc1	10259
+Brc1ncc(c(C(=O)C)c1)F	155
+C(O)(c1c(N)cc2c(OCO2)c1)=O	0
+c1ccccc1COC(C)c2cc(c(nc2)SC)Cl	149
+O=C1c2ccc(cc2OCc3c1cc(cc3)F)F	358
+C(c1cc2c(cc1)n(C)nn2)(=O)c3cc(OCC)c(OC)cc3	335
+C(CCCC)CCOc1ccc2c(ncc(C(C)=O)c2)c1	716
+c1cc(ccc1CCC(NCC(c2cccnc2)O)=O)Br	9
+CCC(c1cccnc1F)=O	716
+Nc1nccc(c1)C(Oc2ccc([N+](=O)[O-])c3ccccc23)C	57
+CCOC(c1c2-c3c(cccc3)Oc4c(cccc4)-c2cs1)=O	4973
+OC12C(C)(C(CC#N)CC1)CCC3C2CCC4C3(CCC(O)C4)C	59
+c1cc(ccc1C)S(=O)(=O)OCCSC2CCC3(C)C(CCC4C5(CCC(c6ccoc6)C5(CCC34)C)O)C2	36
+c1cc(ccc1F)CN(OCC(=O)N(C)C)C(C=2CN(C)C(C=2O)=O)=O	4902
+c12c(ccc(c1)O)cco2	10260
+c1(C=O)cc2c(cc1)C(O)CCC2	39
+C(N(CCC#N)CCCO)=O	1003
+C(n1cnc2cc(ccc12)C(=O)OC)CCl	1449
+c1(cc2c(n(cn2)CCNC(C)=O)cc1)-c3nnc(O)cc3	1449
+c1([nH]c2c(cccc2)n1)-c3n[nH]c4c3cc(C=O)cc4	10261
+c1(c(C)cccc1)Nc2c(C(OC)=O)cc3[nH]cnc3c2F	3132
+c1c(-c2cnn(C)c2)ccc(NC=O)c1C	753
+c1cccc2CN(C=O)CCOc12	1003
+c1(ccc2c(oc(SC)n2)c1)Cn3cnc4c3cc(Cl)c(Br)c4	1449
+c12[nH]cnc1c(N)cc(c2)Br	631
+c12c(ccc(c1)O)ncn2C	10262
+O=Cc1c(c(c(N)c(F)c1)Br)F	1543
+c1c(cc2n(cnc2c1)Cc3cncc(F)c3)Br	1449
+c1(C=O)cc2c(cc1)nc(NC)nc2OCC	10263
+c1c2c(CCCNCCOc3cccc4c3[nH]cn4)c[nH]c2ccc1	631
+c1cc(ccc1)-c2oc3c(c(O)ncn3)c2-c4ccccc4	10264
+c1cc(ccc1)Cn2c3c(c(-c4ccccc4)cc(NC)c3)nc2	10265
+c1cc(ccc1)C2c3c(CCN(C2)C)c(c(OC)cc3)[N+](=O)[O-]	2195
+c1cc(ccc1)CN2c3ccc(C=O)cc3-c4ccccc4C2=O	1543
+c1cc(ccc1)COc2cc3C(N(Cc4ccc(OC)c(c4)OC)C(N(c3cc2)C5CCN(CC5)C=O)=O)=O	1003
+c1cc(ccc1)NC=O	753
+c1ccccc1Nc2c(c3[nH]cnc3cc2C(OC)=O)F	3132
+c1ccccc1SC(CNC=O)c2c3ccccc3ccc2OC	707
+c1cc(ccc1F)C(=O)C2CCN(CC2)C	2195
+c1cc(ccc1Cl)NC=O	753
+c1cc(ccc1I)NC=O	2887
+c1cc(ccc1NC(=O)Nc2ccncc2)-c3nc(N4CC5CCC(C4)O5)nc(N6CCN(CC6)C)n3	2195
+c1cc(ccc1OCCNC=O)-c2c(C#N)c3c(n2CC)cc(cc3)OC	707
+c1cc(ccc1NC=O)[N+](=O)[O-]	753
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CNC=O	707
+c1ccccc1COc2cc(CC(NC=O)CC)ccc2OC	707
+c1ccccc1COc2c(cc(cc2)CCN)NC=O	2887
+c1ccccc1COc2cccnc2CNC=O	707
+c1cnc(Cl)c(CNC=O)n1	707
+c1cnccc1COc2cc(C=O)ccc2	1543
+C(C(C=O)CC)Sc1ccccc1OC	24
+C(O)C(CO)(NCc1c2c(cc3cc4c(cccc4)cc13)cccc2)C	42
+C(O)C(CO)(C)NCc1cc2c3ccccc3ccc2c4ccccc14	370
+C1(=O)COCC(c2cc(ccc2)Br)(CO)N1	467
+n1c(Br)cc(C2(COCC(=O)N2)CO)cc1	467
+C1(=O)COCC(c2nc(ccc2)Br)(CO)N1	467
+OCC(CO)(c1ccc(cc1)NC(=O)Oc2ccccc2)O	90
+C(O)C(CO)(N)c1cccc(Br)c1	157
+OCC(CO)(O)c1ccc(cc1)N	0
+C(O)C(CO)Nc1nc2c(C=CC(=O)N2c3ccc(cc3F)F)c(Cl)n1	306
+c1cc(ccc1C(N2CCN(CC2)c3c(cccn3)NC(C)C)=O)C(=O)NC(CO)CO	513
+c1ccccc1C=Cc2cc(-c3cc4c([nH]3)nc(NC(CO)CO)nc4O)ccn2	785
+c1ccccc1COCC2C(CO)CC=CC2	555
+c1cc(ccc1F)COCC2n3c(COC2)nc4cnc5ccccc5c34	149
+c1cc(ccc1S(=O)(=O)OCC2Oc3ccccc3-c4n(C2)c5c(cccc5)n4)C	36
+O=C(CN1CCCC1=O)N2CCCC2C(N3CCCC3C=O)=O	24
+O(C(=O)CCCCCCN1C(C=O)CCCC1=O)C	24
+c1ccccc1C(NC=2C=CN(C3C(O)C(C(O3)CO)O)C(N=2)=O)=O	10266
+c1cc(ccc1S(=O)(=O)OCCC2COc3c(cccc3)O2)C	36
+c1nc(ncc1OCCC=CCCCC)-c2ccc(cc2)CCCCCOCCC	1897
+C(CCCN1C(=O)c2c(nc(n2CC=C)Cl)N(CCCC)C1=O)O	1474
+c1cc(ccc1C)S(=O)(=O)OCCCCCCO	36
+C(CCCCl)OC(=O)Nc1ccc([N+]([O-])=O)cc1C	589
+C(CCCNc1c(c(nc2ccccc12)Cl)[N+](=O)[O-])O	105
+c1c([n+](ccc1)[O-])NCCCCO	1911
+C(NCCCCO)(c1ccc2ccccc2c1)=O	93
+N#CC(C#N)=C1N(CCN1)CCCO	10267
+O1CCOC1c2ccc(c(Cl)c2)Oc3cc([N+]([O-])=O)c(N)cc3	1435
+C1COC(O1)(C)Cc2cc([N+]([O-])=O)ccc2	381
+c1cc(C#N)cc([N+]([O-])=O)c1OCCO	57
+O1CCOC12CC(CC2)c3c(F)cc(c(c3)F)Br	381
+C1COC(O1)c2c([N+](=O)[O-])cc(F)cn2	4986
+C1COC(O1)c2ncccc2[N+]([O-])=O	4986
+c12c(C(=O)N(C1=O)CCCCCCC3(OCCO3)C)cccc2	381
+c1c(c(c(I)cc1C(=O)OCC)OCCO)Br	126
+c1c(C)nc(cc1)-c2[n+]([O-])c(C)cc(OCCO)c2	1210
+c1c(I)c(cc(c1Cl)Cl)Oc2cc(ccn2)OCCO	260
+O1CCOC1c2c(OC)ccc([N+](=O)[O-])c2	1435
+C1COC(O1)c2cc(OCCOCCOCCOCCN=[N+]=[N-])c(OC)c(c2)OC	10268
+C1COC(O1)(CC(=O)OCC)c2cc(Br)ccc2F	10269
+C1COC(O1)CCc2cc3nc(oc3cc2)Cc4cc5c(cc4)cccc5	2881
+c1cc(OC)cc(OC)c1C(CCCCC)CC(O)=O	1746
+O1CCOC1(c2oc3c(c(ccc3OC)[N+](=O)[O-])c2)C	10270
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)SC=Cc4scnc4COCCO	10271
+c1cc(ccc1C)-c2c(ncnc2OCCO)N	145
+c1cc(ccc1C2(OCCO2)C)[N+](=O)[O-]	3104
+C1CC(CCC1C2(OCCO2)c3ccc(cc3)Cl)C(=O)N(OC)C	3104
+O=S(=O)(CCC)Nc1c(c(OCCO)ncn1)-c2ccc(cc2)C	145
+O=S(=O)(CCc1ccccc1)Nc2c(c(OCCO)ncn2)-c3ccc(cc3)C	145
+c1cc(ccc1-c2c(ncnc2NS(=O)(=O)Nc3ccc(cc3)C)OCCO)C	145
+c1cc(ccc1C)S(=O)(=O)N2c3ccccc3C(CCC2)CC(=O)O	1746
+O1CCOC1c2ccc(cc2)Oc3ccc([N+](=O)[O-])c(c3)C	1435
+O1CCOC1c2ccc3oc(C(=O)c4ccc(cc4)F)cc3c2	1435
+c1cc(ccc1[N+]([O-])=O)OCCO	57
+O1CCOC1CN2C(=O)C(NC(=O)Nc3ccc(cc3)C)(c4ccccc24)CC(Nc5ccc(cc5)C)=O	2881
+c1cc(ccc1[N+]([O-])=O)OC(C)C(OCCO)=O	456
+C1COC2(O1)CCN(S(=O)(=O)c3ccc(cc3)C#N)C2	381
+c12c(ccs1)cc(C(O)COCCO)cc2	850
+c1cc(ccc1)C(CC(O)=O)Cc2c(cccc2)OC	1746
+CC(C)(C(=O)O)Cc1ccccc1	1746
+O1CCOC1(CC(Cc2ccccc2)N3C(=O)c4ccccc4C3=O)C	381
+c1ccccc1CCS(=O)(=O)Nc2c(Oc3cc(OC)ccc3)c(nc(N4CCOCC4)n2)OCCO	145
+c1cnccc1-c2nc(OCCO)c(Oc3c(OC)cccc3)c(n2)NS(=O)(=O)CCc4ccccc4	145
+c1ccccc1CN2CCC(CC2)N(C(C)C)C(CCCOCCO)=O	649
+c1ccccc1COC(N2C(C(OC)=O)CC3(OCCO3)CC2)=O	381
+c1ccccc1COCCC(C2OCCO2)CC=C	10272
+c1ccccc1COCCCCC2(CCCC3(OCCO3)CO2)C	381
+O=S(=O)(c1ccccc1)Cc2c(ccc(c2)OCCO)[N+](=O)[O-]	57
+c1c2ccccc2cc(CCN=[N+]=[N-])n1	600
+c1c(cnc(c1)OCc2c(onc2-c3c(cccc3)F)C)C(=O)OC	91
+c1(Cl)cccc(Cl)c1-c2nc3c(s2)c(ncc3)Nc4cc(CO)ncn4	4925
+O=C1c2ccccc2C(=O)N1Cc3ncnc(c3)N	2181
+O=Cc1ncc(cc1)C(=O)OC	178
+O=Cc1nc2c(cc1)cc(cc2Br)F	178
+c1(cccc(F)c1)COc2nc3c(C(NCC3)=O)cc2	91
+O=Cc1ncc(nc1)Cl	614
+c1c(c(Cl)cc([N+]([O-])=O)c1)OCc2cnccn2	57
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3cocn3	328
+c1(cc2c(nc1OCc3ncccc3)n(cc2)C)F	91
+C(c1nccc(c1C)SCc2ccco2)S(=O)c3[nH]c4c(n3)cccc4	10273
+Oc1c(ccc(O)c1Cl)C(=O)C	10274
+c1c2c(sc3c2cc(cc3)C(=O)O)ccc1	10275
+c12-c3c(cccc3)C(c1cccc2)COC(N4C(C)CCC(C4)C(=O)O)=O	1405
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)CCC(=O)O)cnc23	10276
+c1cc(ccc1C2(CCC2)C(O)=O)-c3c(cc4[nH]cc(C(=O)O)c4c3)Cl	1451
+c1cc(ccc1CC(=O)N2CCC2)-c3c(Cl)cc4c(c(C(O)=O)c[nH]4)c3	1451
+c1cc(ccc1-c2c(Cl)cc3c(c(C(O)=O)c[nH]3)c2)CO	1451
+c1cc(ccc1OCCN2CCOCC2)-c3c(Cl)cc4c(c(C(O)=O)c[nH]4)c3	1451
+c1cc(ccc1OCCO)-c2c(c3c(c[nH]c3cc2F)C(=O)O)F	1451
+C(Cn1cnc2cccc(c12)F)(=O)O	1405
+n1ccnn1-c2c(C(N3CC(C(O)=O)CCC3C)=O)cccc2	1405
+S(c1cc(ccc1)C(c2n(C)nnn2)=NO)C	10277
+[N-]=[N+]=NC1CCc2c(ccc(c2)C(NO)=N)C1O	181
+N(O)C(c1cc2nc(-c3c(Cl)ccc([N+]([O-])=O)c3)[nH]c2cc1)=N	181
+c1c(Br)c(c(cc1C(=N)NO)Br)O	181
+C(CC(c1cc(C)ncc1)=NO)(c2ccccc2C)c3cccc(-c4cccc(c4)C(O)=O)c3	189
+c1(C)cc(ccc1F)C(OC)CC(CC=C)C(=O)NO	909
+c1(C)cc(nc(Cl)n1)C(NO)=N	958
+c1(C)cc(nc(Cl)n1)C=NO	688
+c1c(cc(cc1)C=CC(=O)NO)NC(C=Cc2cc3OCOc3cc2)=O	793
+[nH]1c2nccc(-c3ccc(C)cc3C)c2c(C=NO)c1	506
+c1cc(cc(C)c1OCOC)C=NO	135
+c1(C)cc(ccc1[N+]([O-])=O)C=NO	135
+Clc1cc(ccc1C)C=NO	135
+c1c(c(cc(c1)C=NO)OCC)OCc2ccc(nc2)OC	135
+c1(cc(ccc1)-n2nc(C(=O)OC)c3cc(C#N)ccc23)Br	1421
+c1(NO)nc2c(c(n1)N)cccc2	10278
+ON=C(C(OC)=O)c1ccccc1O	4069
+N(O)C(c1c(cc2n[nH]cc2c1)F)=N	181
+N(O)C(=N)c1c(CC)c(Br)ccc1	181
+c12cc(OC)c(OC)cc1nc(Cl)c(C=NO)c2	506
+c1(ccccc1OC)C(=NO)N	253
+c12c(C)ccc([N+]([O-])=O)c1[nH]cc2C#N	4934
+[nH]1c2c(c(C=NO)c1)c(ncn2)Cl	506
+N(O)C(c1cc(-c2cc(F)ccc2)nc(n1)C)=N	958
+Cc1cc(cc(C)c1OCC(O)=O)C(=NO)c2cccs2	10279
+c1cc(ccc1OCCCOc2c(cc(cc2Cl)OCC=C(Cl)Cl)Cl)C(NO)=N	181
+c1(ccc(C(=O)NCc2c(OCC(=O)NC)cc(C(NO)=N)cc2)cc1C)F	181
+OC(C(c1cc(F)c(cc1)F)=NO)C	189
+C1(CC(c2ccc(OCOC)cc2OCOC)CCC1)C(NO)=O	293
+c1cc(F)c(Cl)c(C=NO)c1F	135
+c1(ccc(cc1Cl)NCC(=O)NO)Cl	1376
+c1(ccc2c([nH]c(-c3cccc4c3-c5c(C4=NO)cccc5)n2)c1)Cl	1205
+c1(ccccc1Cl)Oc2cc(c(cc2)C(=NO)C)Cl	189
+ON=C(c1ccnc(C)c1)C	189
+c1(nc2cc(C=NO)c(Cl)nc2n1C)C	506
+c1-2ccccc1N(CC)C(c3cc(cn-23)C=NO)=O	506
+c12C(=O)c3c(ccc(Br)c3)-c1nc(cc2)C=NO	688
+C1CC(=NO)c2ccccc12	189
+c12[nH]cnc1ccc(c2)C(NO)=N	181
+C1(=NO)c2c(c(F)ccc2)OCC1	189
+c12OCCCC(=NO)c1cccc2	189
+c12c(cccc1)CN(C2)C(=O)Nc3ccc(cc3)C(NO)=N	253
+c12c(cccc1n(nc2)CCC(OCC)=O)C(NO)=N	181
+c12C(=NO)CCc1cc(CCCCCC)c(OCCCC(=O)O)c2	189
+c1(N)cc(-c2cc3ccncc3cc2)no1	10280
+c12n(c(C(=O)OCC)c(c1cc(F)cc2)C=NO)Cc3c4c(cccc4)ccc3	506
+c12nn(C)cc1c(ccc2)C3CC3C=NO	410
+c1c(Br)cc2CCC(=NO)Cc2c1	350
+N(O)C(=N)c1cnncc1	3106
+C(C)CCC(c1cc(c(OC)cc1)OC)=NO	189
+c1c(C)cc(cc1OCC(C)=NO)C	350
+Fc1cc(cc(F)c1C=NO)C#N	135
+c1c(F)c(c(cc1C=NO)F)SC	135
+c1c(c(ccc1F)C(=NO)c2cccc(OC)c2)F	1205
+c1c(cc(c(c1)O)C(NO)=O)Br	1133
+C1(=NO)c2c3ccc(cc3n(c2CCC1)C)Br	1375
+c1c(nc(C(C)=NO)cc1)C	1213
+c1c(oc2c1cc(cc2)C(NO)=N)CO	181
+c1c2c(cc(CC(=N)NO)c1)CCC2	409
+c1cccc2c(C=NO)ccc(Br)c12	135
+c1cc(c(cc1)N2C(=O)C(C=NO)=C(C=C2)Cl)C	10281
+c1cc(c(cc1C(=NOC)CCC(=N)NO)Cl)Cl	409
+c1cc(cc(c1OC)C(NO)=N)F	181
+c1cc(cc(C(c2c(c(-c3cnccc3C)ccn2)F)=NO)c1OC)F	4158
+c1cc(ccc1)-c2c(cc(C(C)c3cc(N)on3)cc2)F	2459
+c1cc(ccc1)-c2c(F)cc(C(N)=NO)cc2	253
+c1cc(ccc1)-n2cc(c(-c3ccc([N+](=O)[O-])o3)n2)C=NO	4938
+c1ccccc1C(c2cncn2C)=NO	10282
+c1cc(ccc1)C(c2ccccc2)C(=O)Nc3c(O)nc(nc3)C=NO	4584
+c1ccccc1C23C(CCc4c(nc(-c5ccccc5OC)nc24)OC)C(c6oncc6C3)C	4987
+c1cc(ccc1)C=CS(=O)(=O)Nc2cc(ccc2)C=CC(NO)=O	2291
+c1ccccc1CC(c2ccc(c(C)c2)OCC(=O)OCC)=NO	189
+c1ccccc1CC=NO	410
+c1cc(ccc1)CCN2CCC(CC2)=NO	350
+c1cc(ccc1)CN2CCC(C(C)=NO)C(C2)c3ccc(cc3)Cl	350
+c1cc(ccc1)CN2C(=O)CC(C2)C(C)=NO	350
+c1cc(ccc1)CNC(=O)c2cccc(-c3cccc(C(NO)=O)c3)c2	1133
+c1cc(ccc1)Cc2c3c(cccc3)n(CC=NO)c2	410
+c1cc(ccc1)-c2c(c3c(C(CN(Cc4ccccc4)C3)C)n2Cc5ccccc5)C=NO	506
+c1cc(ccc1)NCCC(=N)NO	409
+c1cc(ccc1)S(=O)(=O)CC=CC=CC(=O)NO	10283
+c1cc(ccc1F)-c2c3n(nc(NC(=O)OCC)n3)ccc2	977
+c1cc(ccc1-c2cc(F)ccc2)C(CCC(O)=O)=NO	189
+c1cc(ccc1C(N(C)C(C(NC)=O)C(=O)NO)=O)-c2ccc(cc2)COC	10284
+c1cc(ccc1C(NO)=N)-c2oc(cc2)Br	181
+c1cc(ccc1C(Cc2ccc(SC)c(F)c2)=NO)Br	189
+c1cc(ccc1C(CC(=NO)c2ccnc(C)c2)c3ccccc3C)Br	189
+c1cc(ccc1C#CC#CCO)C(=O)NC(C(=O)NO)C(N)C	909
+c1cc(ccc1C#Cc2cc(F)ccc2)C(=N)NO	181
+c1cc(ccc1C(=N)NO)-c2nc3c([nH]2)cccc3	253
+c1cc(ccc1C(=N)NO)C2(C3CCC(C3)C2)c4ccc(cc4)OCc5ncccc5	181
+c1cc(ccc1C(NO)=N)C2CC3(C(N(C(N3)=O)C)=O)CC2	253
+c1cc(ccc1C(=NO)N)CCO	253
+O=S(=O)(N(Cc1ccc(cc1)C(=NO)N)C2C(NCCCC2)=O)c3ccc(cc3)Cl	253
+c1cc(ccc1I)C(=NO)N	253
+c1cc(ccc1C(=NO)N)Oc2ccccn2	253
+c1cc(ccc1[N+](=O)[O-])C(N)=NO	253
+c1cc(ccc1C(CC)=NO)OCC(OCC)=O	189
+c1cc(ccc1OCCOC)C(CC)=NO	189
+c1cc(ccc1OC)C(=NO)Cc2nccc(c2)Cl	189
+c1cc(ccc1C(c2c(F)cc(F)cc2)=NO)OC	1205
+c1cc(ccc1C(CCC(O)=O)=NO)-c2c(cc(Cl)cc2)F	189
+c1cc(ccc1OCOC)C(CCC)=NO	189
+FC(F)(C(=O)NO)c1ccc(cc1)NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C	1376
+c1cc(ccc1SCCNC(=O)c2oc3c(cccc3)c2)C(NO)=O	1133
+c1cc(ccc1C)S(=O)(=O)n2c3cccc(C=NO)c3cc2	135
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3	409
+c1cc(ccc1C=2C=CC(N(Cc3cc(NC(OCC)=O)ccc3)N=2)=O)C(NO)=N	181
+c1cc(ccc1C)C=NO	135
+c1cc(ccc1F)C=NO	135
+c1cc(ccc1NCCCCCCCCCCCCCCCC)C=NO	135
+c1cc(ccc1Oc2c(cc(Br)cc2)Cl)C=NO	135
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(NCCCCCCC(NO)=O)=O	909
+c1cc(ccc1C(=NO)N)CC(=O)OC	253
+c1cc(ccc1Cc2c3c4c(cnc(c4COC)C=NO)[nH]c3ccc2)Cl	688
+C1COCCN1Cc2ccc(cc2)Cc3ccc(cc3)C(=O)NC(C(=O)NO)C(O)C	909
+c1ccccc1COC(=O)N2CCCC2c3onc(C)c3Cc4ccc(cc4)Cl	10285
+c1cc(ccc1-c2onc(C(=O)OCC)c2)F	1208
+c1cc(ccc1C(Cc2nc(ccc2)Cl)=NO)F	189
+c1cc(ccc1F)C(=O)N2CCCC(C(N)=NO)C2	609
+c1cc(ccc1CC(=N)NO)F	409
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4c3cc(cc4)C=NO	135
+C1CN(CCC1=NO)c2ccc(cc2)OC	350
+c1ccccc1C(Nc2ccc(cc2)Cc3cn(C)c4ccc(C(=O)NO)cc34)=O	514
+c1cc(ccc1NCCCCCC(=NO)CCCCCCCCCC)C(OCC)=O	350
+c1cc(ccc1NS(=O)(=O)C)C(=NO)C	189
+c1cc(ccc1C(c2cc(CCC(=O)O)c(cc2OC)OC)=NO)OC	1205
+c1cc(ccc1OC)S(=O)(=O)N2C(C(NO)=O)C(CCCC2)COC(C)=O	293
+c1cc(ccc1OCCCC(=O)O)-c2ccc(cc2)C(N)=NO	253
+c1ccccc1-c2ccc(cc2)OCCCC(=O)NO	293
+c1cc(ccc1OCCCCCC)S(=O)(=O)N(CC(NO)=O)CC(C)C	1376
+c1cc(ccc1OCCN2C(Sc3c2ccc(C(c4ccccc4)=NO)c3)=O)OC(C)(C)C(OCC)=O	1205
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=NO	135
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)NC(=O)C4C(C(=O)NO)CC5(CC5)CN4C	293
+c1cc(ccc1OCc2cccc(F)c2)N3C(=O)CC(C(N)=NO)C3	609
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)C=NO	135
+c1cc(ccc1)COc2cc(c(c(c2)OCc3ccccc3)C(C)=NO)Oc4ccc(cc4)[N+]([O-])=O	189
+c1cc(ccc1Oc2c(ccc(F)c2)Br)C=NO	135
+c1cc(ccc1C(N)=NO)Oc2cc(cc(c2)OC(C)COC)C(=O)Nc3nn(C)cc3	253
+c1cc(ccc1OC)Oc2cccc(C=NO)c2	135
+c1cc(ccc1Oc2c(cccc2)C=CC(NO)=O)Cl	10286
+c1cc(ccc1S(=O)(=O)C)OCC(NO)=N	409
+c1cc(ccc1S(=O)(=O)N(CCc2ccc(cc2)OC)CCC(NO)=O)-c3[nH]nnn3	909
+c1cc(ccc1OCC#CCCOC2OCCCC2)S(=O)(=O)N3C(C(NO)=O)C(C)(C)SCC3	293
+c1cc(ccc1Sc2ccc(cc2)C(=O)NC(C(O)C)C(=O)NO)CN3CCOCC3	909
+c1cc(ccc1C=NO)Sc2ccccc2	135
+c1cc(ncc1Br)C=NO	688
+c1cc2c(cc1F)c(cnc2N)C(C)=NO	1375
+N(O)C(c1cccc2c1cc[nH]2)=N	181
+N(C(c1cc(C(=O)O)ccc1)=N)O	181
+N(O)C(c1c2CCCC(O)c2ccc1)=N	181
+N(=C1c2ccccc2CCC1)O	189
+c1cc(ccc1)-c2c(oc3cccc3c2)CC(=O)NO	1376
+c1ccccc1-c2nn(c3c2CCC4C(c5oncc5CC34c6ccccc6)C)C	4987
+c1cc(ccc1)-c2noc3c(c(O)ccc23)CCC	10287
+c1cc(ccc1)C(CC(C)C)=NO	189
+c1ccccc1C(F)(F)C(NO)=N	609
+c1cc(ccc1CCC(NO)=O)NC(c2ccccc2)=O	293
+c1ccccc1CC(NO)=N	409
+c1cc(ccc1SC)C(=NO)Cc2ccccc2	189
+c1cc(ccc1C(N)=NO)CC2C3C(=O)N(Cc4ccccc4)C(=O)C3C(C)(C)N2C	253
+c1cc(ccc1CC(C(=O)NC(C(OC)=O)C2CCCCC2)C(=O)NCc3ccccc3)C(N)=NO	253
+C1CC1CC(NC(=O)OCc2ccccc2)(C)C(NO)=N	409
+c1ccccc1COCC(OCC=NO)CC=C	410
+c1cc(ccc1)COc2cc(cc(Oc3ccc(cc3)[N+]([O-])=O)c2-c4onc(C(OCC)=O)c4)OCc5ccccc5	1208
+c1ccccc1COc2ccc(cc2)-n3c(C)c(C=NO)c4cc(F)ccc34	506
+c1ccccc1COc2cc3c(OC(C)(C)CC3=NO)cc2	189
+c1cc(ccc1OCC=NO)Oc2ccccc2	410
+c1cccn2c1ncc2C(Nc3c(C)ccc(c3)C(NO)=N)=O	181
+N(O)C(c1ccc(c2c1ccn2CC)Br)=N	181
+c1cnccc1C(=NO)c2c(F)cc(F)cc2	1205
+c1cnccc1Oc2ccc(cc2)C(N)=NO	253
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)C(NO)=N	2269
+c1nc(c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C)C(NO)=N	2269
+c1nc(C(NO)=N)c2n1-c3ccc(cc3C(N4C2CC4)=O)F	2269
+N(O)C(c1cc2c(n(nc2)CCCC(OCC)=O)cc1C)=N	181
+n1cc(ccc1OCC(OC)=O)C(C)=NO	1375
+N(O)C(=N)c1c2cc[nH]c2cnc1	3106
+c1ccccc1Cc2cccc(-c3nc(c(c(N)n3)N=O)O)c2	10288
+c1ccccc1Cc2onc(c2)C(OCC)=O	10289
+C1(c2cc(I)ccc2)ON=C(C(CCl)=O)C1	10290
+N#Cc1cc2nccc(Cl)c2s1	10291
+C1(C(N=O)=C(N(C(=S)N1)c2cc(CC)ccc2)N)=O	1882
+c1cc(ccc1CO)N=Nc2ccc(cc2OC)N(C)CCCN=[N+]=[N-]	725
+c1c(-c2cnccc2)ncc3n[nH]cc13	4988
+Clc1cc(cc(Cl)c1)N2C(N)=C(N=O)C(=O)NC2=S	863
+c1(nnnc2c1ccs2)O	10292
+n1n(CC=C)c2ccc(C#N)cc2n1	10293
+C(c1cc2c(cc1)n(nn2)CCCC)(=O)O	2183
+c1([nH]c2c(cccc2)n1)CN3C(=C(N)C(NC3=S)=O)N	3088
+c1cc(cc(c1Oc2cc3c[nH]nc3cc2)C#N)F	1559
+c1n[nH]c2cnc3cc(OC)c(OC)cc3c12	4988
+c1(c2ccc(cc2nnn1)F)O	10294
+n1c(C)ccc(CC)c1O	3021
+O(C)CCOc1ccc2c([n+](nc(O)n2)[O-])c1	10295
+c12cc(C(=O)O)ccc1[nH]nc2C=O	3135
+c12cc(NN)ccc1c(ccc2)OC	427
+N1(c2cc3c(cccc3)nc2)C(N)=C(C(=O)NC1=S)N=O	863
+C(c1c[nH]c2ncccc12)n3nnc4c3nc(cn4)Br	3545
+c1c(Cl)cc(cc1Sc2ccc3c(c([nH]n3)N)n2)Cl	10296
+Ic1cc(cc(I)c1)NN	427
+c1c(ccc(Oc2cc3nn[nH]c3cc2Br)c1F)F	1714
+c1cc2c(c(c1OC)OC)OC(=CC2=O)c3cc4c(cc3)[nH]nn4	1714
+c1(cccc(c1)O)NN	427
+O=[N+](c1cc(C)c(C)cc1OC)[O-]	2026
+n1[nH]c2CCCc3cc([N+]([O-])=O)cc1c23	10297
+c1c(OC)ccc(c1F)NN	427
+n1[nH]c2c(ccc(c2)Br)c1C=O	3135
+c12cc(ccc1[nH]nc2C=O)Br	3135
+c1(c([N+]([O-])=O)cc2NC(CCc2c1)=O)OC	2026
+c1cc(ccc1)-c2cc3c(c(O)nnn3)s2	10298
+c1cc(ccc1)CNC2CCc3ccc(O)cc3C=C2	956
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3ccc4[nH]nc(S(=O)(=O)c5c6c(ccc5)cccc6)c4c3	1025
+c1cc(ccc1N=Nc2ccc(cc2)O)CO	725
+c1cc(ccc1-c2c(nc(N)nc2COCc3ccccc3)N)O	956
+c1cc(ccc1-c2cn3c(ccc(c3)I)n2)NN	427
+c1cc(ccc1NN)-c2cnco2	427
+c1cc(ccc1F)C(C(c2ccnc(Cl)c2)=NO)=O	10299
+c1cc(ccc1C)N(N=O)CCc2ccc(nc2)Cl	2708
+c1cc(ccc1C)S(=O)(=O)OCCCOc2ccc3c(c2)c(n[nH]3)S(=O)(=O)c4cccc5ccccc45	1025
+c1cc(ccc1CN2C(=O)N(C(N)=C(C2=O)N=O)C)OC	863
+c1cc(ccc1CN2CCC(CC2)n3c4c(nc3C)cccc4)-c5nc6nn[nH]c6cc5-c7ccccc7	10300
+c1cc(ccc1O)C23CC2CN(C3)C(C)=O	606
+c1cc(ccc1F)S(=O)(=O)c2ccc(cc2)NN	427
+c1cc(ccc1S(=O)(=O)n2ccc3c2C(=O)N(C=C3c4ccc5c([nH]nn5)c4Oc6ccc(F)cc6F)C)C	1714
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(=O)C(C(=O)CBr)=NO)=O	10301
+c1c2c(ccc1)c([N+](=O)[O-])cnc2O	10302
+S(CCOc1ccccc1NN)C	427
+c1ccccc1COc2c(cc(cc2)F)NN	427
+c1ccccc1COc2c(cc(nc2)C(=O)N=[N+]=[N-])O	2279
+c1cc(ccc1)Oc2cccc(c2O)C	956
+c1ccccc1S(=O)(=O)c2c3c([nH]n2)ccc(OCCOS(=O)(=O)c4ccc(cc4)C)c3	1025
+n1c(SC)nc(c(N=O)c1N)O	10303
+c12[nH]nnc1cc(Cl)nc2	10304
+c1cnc(Cl)c2n1nnn2	10305
+O=S(Cc1c(F)cccc1Cl)c2[nH]c3c(cncc3)n2	3136
+[N-]=[N+]=NCc1ccc([n+](c1)[O-])C	341
+c1(C)cc([n+](cc1[N+](=O)[O-])[O-])Cl	341
+c1c(c(ccc1C(=O)O)-n2cc(nc2)C)OC	10306
+c1(C=O)cccc(OCCS(=O)C)c1	2978
+c1(Cl)c(ccc(CO)c1)-c2cc(ccc2)C(=O)N	216
+Oc1c(F)cc(cc1O)Br	2286
+c1(OC)cc(cc(OC)c1OC)Nc2ccc(C(=O)N)c(NC(COC)C)c2	216
+c12c(ccc(c1O)F)ccc(n2)OC	10307
+Nc1c(cc(cc1[N+]([O-])=O)F)C(=O)O	4555
+c1c(c(O)c(Cl)cc1)CCCO	347
+c1c(cc(C)c(CCO)c1)Br	1709
+c1c(cc(cc1)CCCBr)C(=O)N	216
+c1c(cc2[nH]cc(c2c1)CC(N)=O)Br	527
+c1c(ncc(c1)N2CC(CC2)O)C(=O)N	1200
+c1c2NC(CCc2cc(c1)Nc3nc(NC(CC)C(N)=O)cnc3C(=O)N)=O	1198
+c1c2c([nH]cc2CC(C(N)=O)Nc3ccc(c(Nc4cc(ns4)C)c3)C(N)=O)ccc1	216
+c1(c(F)c(cc2CCCOc12)O)F	1991
+c1[n+]([O-])cc2cccc([N+]([O-])=O)c2c1	341
+c1cc(cc(Br)c1Oc2ncc(C=O)cc2)C(=O)N	216
+O=S(=O)(c1ccc(cc1)-c2ccccc2)C(F)F	902
+c1ccccc1C(CCO)(O)CCCl	347
+c1cc(ccc1OC)C(C)C(=O)O	2263
+c1cc(ccc1C2C(CC(=O)C2)C(=O)O)Cl	2263
+c1ccccc1CCOCCCO	347
+c1cc(ccc1)COCC(F)(F)CCCO	347
+c1cc(ccc1)COc2cccc(C(OCC)=O)c2CCCO	347
+c1cc(ccc1)COc2c(ccc(C3=C(C(=O)c4ccccc4O3)O)c2)OCc5ccccc5	10308
+c1cc(ccc1)COc2cccc(c2)C3CN(c4cccc(C(N)=O)c4)C(C3)=O	216
+c1cc(ccc1)Cn2c3c(c(C=NOCCCO)c2)cccc3	347
+c1cc(ccc1)Oc2ccc(cc2-c3c(nccc3)OC)C(=O)N	216
+c1cc(ccc1)S(=O)(=O)N(CC(c2cccc(Cl)c2)CCCO)C	347
+c1cc(ccc1-c2cc(C(=O)N)nc3c2ccc(CN4C(CN(C)C4=O)=O)c3)F	1200
+c1cc(ccc1-c2c3c(cc(cc3)Cn4cc(C=O)cn4)nc(C(=O)N)c2)F	1200
+c1cc(ccc1-c2cc3c(c[nH]c3cc2)C(N)=O)Br	745
+c1cc(ccc1-c2ncc(cc2)C(=O)N)Cl	745
+c1cc(ccc1-c2c[n+]([O-])ccc2)C(OC)=O	341
+c1cc(ccc1-c2cn3cc(CCO)c(C)cc3n2)N(C)C	10309
+c1cc(ccc1-n2c(CC)nc3c2cc(c(C(N)=O)c3)Cl)CCO	216
+c1cc(ccc1Br)CCCO	347
+c1cc(ccc1OC(C(=O)OC)C)OC(=O)C	10310
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(N3CCCC(c4ccccc34)CO)=O	2938
+c1cc(ccc1C2CCCC2=O)F	10311
+c1cc(ccc1C2C(C2)CCO)Br	347
+c1cc(ccc1C(=O)N)CCN=[N+]=[N-]	216
+CC(C)NC(C)(C(CCCO)c1cc(Cl)ccc1)c2ccc(cc2)Cl	347
+c1cc(ccc1Cl)Cc2[n+](cccc2)[O-]	341
+c1cc(ccc1F)-c2csc3c2c(ncn3)CCCCO	347
+c1cc(ccc1F)-c2nc(n(c2-c3cc(ncc3)NCC(O)C)C)S(=O)C	3136
+c1c(cc(c(F)c1)O)Br	1991
+c1cc(ccc1F)C(=O)N2c3ccccc3C=CC2C(N)=O	10312
+c1cc(ccc1F)C(C)Nc2c(C(N)=O)cc(c(Nc3[nH]nc(c3)C4CC4)n2)F	745
+c1cc(ccc1NC(c2ccc([n+](c2)[O-])Cl)=O)F	341
+c1cc(ccc1N2C(=O)OC(CNC(c3ccc(s3)Cl)=O)C2)N4CCOC(C4=O)CCCO	347
+c1cc(ccc1NC(=O)C2=C(CCC2)c3cccc(C(N)=O)c3)N4C(=O)CCCC4	216
+c1cc(ccc1NS(=O)(=O)C)C(NCCN2CCS(CC2)=O)=O	2978
+c1cc(ccc1-c2nc(CCCO)c(C)o2)OC	347
+c1cc(ccc1S(=O)(=O)n2c3ccc(cc3c(C4C(CCO)C4)c2)C#N)C	347
+O=S(=O)(CCCCl)c1ccc(cc1)Cl	902
+O=S(=O)(c1c(cccc1)Br)c2ccc(cc2)CO	10313
+c1cc(ccc1)S(c2ccc(cc2)OC3CCCC3)=O	10314
+c1cc(ccc1[N+](=O)[O-])-c2nc(S(=O)C)[nH]c2	3136
+c1ccccc1C2(c3ccccc3)C(N(CC)CC2CCO)=O	347
+C(CC(CO)C(O)=O)CCC=C	2263
+c1ccccc1CCCCOCCCO	347
+c1ccccc1CN(Cc2ccccc2)CCCC(=O)N	527
+c1ccccc1COC(=O)c2ccc(c(NC3CCCCC3)c2)C(N)=O	216
+c1cc(ccc1)COC(NC2C(NC(OCc3ccccc3)=O)CCC(O)C2)=O	4091
+c1ccccc1COC2C(Nc3cc(ccc3C(N)=O)-n4c5CC(C)(C)CC(c5c(CC)n4)=O)CCCC2	216
+c1ccccc1COc2cc(O)ccc2OC	2286
+c1ccccc1COc2cc(ccc2C3CN(c4cccc(C(N)=O)c4)C(=O)C3)OC	216
+c1ccccc1Cc2[n+]([O-])cccc2	341
+c1cc(cc[n+]1[O-])CCC	341
+c12c(cc3CCCc3c1)[N+](=O)N=C(NCCN(C)CCCOC)N2[O-]	10315
+n1cccnc1-c2cc(ccc2)Nc3nc(cnc3C(N)=O)NC4CCCCC4N	1198
+OP(O)(c1cc(ccc1)N)=O	0
+c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2	42
+c1(cc(cc(Cl)c1Oc2ccc(c(C(O)=O)c2)OC)COC)Cl	1182
+c1(c(c(ccc1C(=O)O)OC)F)O	1182
+c1cc(ccc1-c2cc3c([nH]cc3C(O)=O)cc2Cl)C4CCN(C(=O)OC)C4	2038
+c1cc(ccc1-c2nc(CCCC)n(Cc3ccc(cc3)-c4c(C#N)cccc4)c2C(=O)O)F	10316
+c1cc(ccc1)COc2c(cccc2C(O)=O)Cc3c(OC)c(c(OC)c(OC)c3C)OC	1182
+c1ccccc1COc2c3nc(C)cc(c3ccc2)C(=O)O	1182
+Nc1cccc(C(CNCC(OC)=O)=O)c1O	0
+c12OCOc1cc3C4(C(N(CC(=O)OCC)c5c4cccc5)=O)COc3c2	20
+c1cc(ccc1)COC(Cc2ccccc2O)=O	283
+c1ccc(cc1CCO)CNCc2ccccc2O	95
+c1ccccc1COc2cc(ccc2O)CC(OCC)=O	22
+c1cc(ccc1NC(CCc2ccc(c(c2)O)O)=O)C(=O)OC	33
+c1(nccc(Oc2c(c(Cl)c(cc2)N)Cl)n1)Cl	185
+O(C)Cc1cc(c(c(O)n1)[N+]([O-])=O)O	10317
+c1c2c(C3(C(N(CCCCC)c4ccccc34)=O)CO2)cc(c1)F	20
+c1cc(ccc1I)COc2ccc(c(O)c2Cl)C(=O)C	22
+c1cc(ccc1COc2ccc(c(O)c2Cl)C(=O)C)C(c3cc(ccc3)C#N)OC4OCCCC4	20
+Nc1c(c(O)c(cc1)C(=O)C)C	0
+c1cc(ccc1C=CCCCCOc2c(O)cc(cc2)C(=O)CCCC(OC)=O)OC	8
+c1cc(ccc1COc2ccc(cc2O)C(c3c4ccccc4n(CCCC(=O)OCC)c3)=O)C	22
+c1c2c(nc(-c3cc(Br)c(C)cc3)o2)ccc1	3137
+c1c2c(nc(-c3cc(OC)c(cc3)C)o2)ccc1	3137
+c1c(Oc2c(OC)cccc2)c([N+](=O)[O-])cc(F)c1NC(=O)C	46
+c1cc(ccc1OCCCCc2ccc(cc2)F)C=Cc3cccc(C(C)=O)c3O	914
+c12nc(C)ccc1nccc2O	10318
+c1cc(ccc1OC)-c2nc(CCCOc3ccc(CC(OCC)C(=O)OCC)c4CCCCc34)c(o2)C	126
+Oc1c2ccc(N)cc2nc(n1)Cc3ccc(c(Cl)c3)Cl	0
+Oc1c2c(nc(-c3cc(O)ccc3)n1)cccc2	5
+c1cc(ccc1)COC(Nc2ccc3c(c2)nc(Cc4cc(c(cc4)Cl)Cl)nc3O)=O	90
+Cc1nc(c2c(cccc2)c1[N+]([O-])=O)O	475
+c1cc(ccc1)COc2cc(cc(c2)O)C	22
+c1ccccc1COc2c(O)cc(C=O)cc2	22
+c1ccccc1CCOc2c(O)cc(cc2)C=O	8
+c1c2c(C(c3c(O)ccc(F)c3)C(N2CCCCC)=O)ccc1	462
+c1cc(ccc1OCCOc2cc3CCCCc3cc2)C=O	8
+Oc1cccc(O)c1NC(=O)c2ccccc2	50
+c1c(Br)c(Oc2cc(ccc2[N+]([O-])=O)C#N)ccc1	46
+Oc1ccccc1C(CN)O	157
+c1cc(ccc1)CN2C(CCC)=Nc3nc4ccccc4cc3C2=O	10319
+C1CN(CCN1Cc2nc3c(cccc3)c(O)n2)Cc4ccccc4	894
+c1cc(ccc1CN2c3cc(Br)cnc3C=CC2=O)OC	10320
+Cc1c(COc2ncc(cc2)C(=O)OC)c(no1)-c3ccncn3	2055
+c1(c(C(N)=S)cncc1)C	4989
+C(c1ccc(c(c1)CCC)OCCCOc2ccc3c(c2)ccn3CC(=O)OC)(=S)N	1855
+c1cccc2c1-n3cnc(C(N)=S)c3CN(C)C2=O	4802
+CC(n1ccc2cc(ccc12)OCCCOc3ncc(cc3)C(=S)N)C(=O)OC	4989
+S(C)(Cc1cccc(N)c1)(=O)=NC(OCC)=O	0
+S(C)(c1cccc(C(=O)O)c1)(=O)=NC(c2cncc(c2)C#Cc3cccc(c3)NC(=O)c4n(nc(C)c4)C)=O	1
+N#CC(C#N)=C(SC)Nc1ccccc1	10321
+O=Cc1nc(cc(c1)CCCSC)C(=O)OC	178
+S(C)c1cc(c(Cl)cc1N)OC	0
+S(c1cc(ccc1CN)F)C	162
+S(C)c1ccc(N)cc1Cl	0
+c1ccccc1NS(=O)(=O)c2cc(c(cc2)Oc3cc(c(SC)cc3)C)C#N	46
+C(c1ccc(SC)c(Cl)c1)C(=O)O	10322
+S(C)c1nnc(CCCC=O)n1C	24
+O=Cc1c(SCC#C)cccc1	39
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CSCCCCCCCCCCCCCCCC)O	604
+CCc1cc(cc(SCC)n1)Br	10323
+c1ccc(OCCSC)c(N)c1	0
+O=S(=O)(c1cc(c2nnc(c(c2c1)Cl)C(N)=O)C)C	593
+O=S(=O)(c1cc(C(=O)O)c(Cl)cc1)C	593
+O=S(=O)(C)c1ccc(O)cc1F	593
+O=S(=O)(C)c1cnc(cc1)Cl	10324
+O=S(=O)(C)c1c(-c2c(C)c(Cl)c3c(cc(cc3F)F)n2)cccc1	593
+O=S1(=O)CCc2cc(C(=O)O)sc12	10325
+O=S(=O)(C)c1nc(-c2cc(ncc2)Cl)cc(C)n1	528
+O=S(=O)(c1cc(F)c(cc1Br)F)C	593
+O=S(=O)(C)c1nc(N)c(c(NC(c2c(-c3ccnn3C)cc4c(ccn4C)n2)C)n1)C#N	528
+O=S(=O)(C)c1nc(N)c(c(n1)NC(C)c2nc3ccn(C)c3cc2-c4cscn4)C#N	528
+O=S(=O)(Cc1c(cc(c(c1)Br)OC)F)C	991
+c12-c3c(cccc3)C(c1cccc2)COC(=O)NC(C)c4cc5cccc(Cl)c5c(C(O)=O)n4	2634
+O=S(=O)(c1c(cc(Br)cc1)F)C	593
+Clc1c2c(ccc(O)c2)ccn1	10326
+c1cc(ccc1)C(c2ccccc2)CNc3nc(S(=O)(=O)C)nc4n(C5OCCCC5)cnc34	528
+O=S(=O)(c1ccc2CCCC(=O)c2c1)c3ccccc3	4990
+O=S(=O)(Cc1n(CCCCc2ccc(cc2)O)ccn1)C	991
+O=S(=O)(C)c1ccc2n(c(C)c(Oc3ccc(cc3)Cl)c2c1)CC(OC)=O	593
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4nc(ncc4)S(=O)(=O)C)C	528
+c1cc(ccc1F)Nc2nc(nc(CCO)c2)S(=O)(=O)C	528
+O=S(=O)(c1ccc(cc1)OC)c2c(cc(cc2Cl)Nc3nnc(N)[nH]3)Cl	4990
+c1cc(ccc1S(=O)(=O)C)C#N	593
+O=S(=O)(c1ccc(cc1)O)CC	593
+c1ccccc1-c2c(-c3nc(S(=O)(=O)C)ncc3)nc(s2)N	528
+O=S(=O)(C)c1nc(C=C2SC(=O)NC2=O)ccn1	528
+CC(SSc1ccccn1)CO	10327
+c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1	162
+c1ccccc1-c2c(cccc2Cl)SC	134
+S(c1c(cc(cc1)C)C(=O)O)c2csc3ccccc23	1
+S(c1c2c(nc(c1)C=O)c3c(c(OC)c2)cccn3)C	178
+S(c1cc(Oc2c(nccc2)CC)c(N)nc1)c3ccccn3	1779
+S(c1cc(ccc1CNC(c2c(O)c3ncccc3c(n2)C(=O)OC)=O)F)C	658
+S(c1cc(ccc1CNC(c2c(O)c3ncccc3c(C(=O)O)n2)=O)F)C	1
+S(c1ccc(CN)c(F)c1)C	107
+c1cc(ccc1Br)C(=O)Cc2ccc(SC)c(F)c2	10328
+S(c1ccc2OCCC(c2c1)(CC=O)C)C	24
+c1c2c(NCc3ccc4OCOc4c3)ncnc2ccc1SC	40
+c1cnccc1OCCSc2nc3nc(cc(n3n2)C)C	1175
+c1cc(ccc1F)CNC(C2=CN3C(S2)=C(C(=O)NC3=O)C)=O	10329
+C1N(c2c(S1)cccc2)C(=O)c3cc(c(OC)c(Cl)c3)I	448
+Nc1ccc2c(C(Nc3c(cccc3)S2)=S)c1	3120
+c1c2CCCC(Nc2ccc1)=S	2718
+Clc1cc2c(cc1)NC(c3ccccc3N2)=S	3120
+c1cc(ccc1-c2nnc(S)cc2)Cl	10330
+c1cc(ccc1-c2nnc(-c3ccc(cc3)C(OC)=O)s2)N4CCC(CC4)(CCCC)OC	10331
+c1c2ccccc2cc(C=3N(C)C(=S)NN=3)c1	10332
+c1cc(ccc1-c2nc(-c3c(cccc3)Cl)sc2)C#N	1741
+c1cc(ccc1-c2c(nc(-c3c(Cl)cccc3)s2)-c4ccc(cc4)C)SC	10333
+c1ccccc1-c2nc(sc2)-c3ccccc3[N+]([O-])=O	1741
+Fc1cc(OCCSc2nc3nc(C)cc(C)n3n2)ccc1Cl	2425
+c1ccccc1C2Sc3nnc(C)n3N=C2c4ccc5OCC(Nc5c4)=O	10334
+c1cc(ccc1)CC(O)C=CC2CCC(=O)N2CCCCSc3nnnn3C	10335
+c1(c(c(ccc1C)Cl)Nc2ccccc2C3=NNC(=S)O3)Cl	1770
+c12cnccc1CCc3ccccc3C2N=C=S	985
+c1c2c(ccn1)NC(N2)=S	10336
+c1(ccc2c(c1)NC(=S)N2)C	1357
+c1cc(ccc1-c2c(F)cc3c(NC(=S)N3)c2)-c4ccccc4	1357
+c1cc(ccc1C(c2ccc(cc2)OC)(c3ccccc3)OCc4cccc(CN=C=S)c4)OC	985
+C1CN(CCC1Nc2n(Cc3ccc(cc3)F)c4c(cccc4)n2)CCN=C=S	985
+c1cc(ccc1C=2OC(=S)NN=2)NC(=O)c3c(cccc3)F	1770
+c1ccccc1Oc2c(cccc2)C=3OC(NN=3)=S	1770
+N1C(=S)N2C=C(c3cnn(C)c3)C=C(C2=N1)F	10337
+N1c2cc(F)c(cc2NC1=S)-n3ccnc3	1357
+c1(C)nc(Cl)cc(CSC)c1	1672
+Brc1cccnc1SC	1272
+Clc1c(SC)ncc(C(=O)C)c1	1272
+S(C)c1ccc([N+]([O-])=O)cc1Cl	411
+C(c1cccc([N+]([O-])=O)c1)SC	1672
+c12c(cc(cc1)-c3cnc(cc3C)SC)cnc(N)c2	3482
+O=C(SC)c1cc(ccc1)C#C	10338
+S(c1cc(CO)nc2c1cc(c3c2nccc3)OC)C	1275
+c1nc2ccc(SC)cc2nc1O	2039
+c1(C=O)ccc(SC)c(F)c1	411
+c1cc(ccc1)-c2c(c(C(NC(CC)c3ccccc3)=O)c4ccccc4n2)CSC	4218
+c1cc(ccc1)C(c2ccccc2)CNc3c4c(nc(SC)n3)n(C5OCCCC5)cn4	1721
+c1cc(ccc1)Oc2c3c(c(c(n2)C)C)n(c(C)n3)CCCCCSC	1105
+c1cc(ccc1S)Oc2ccccc2	10339
+c1cc(ccc1CCSC)CCNc2c(c(CC)ncn2)C(OCC)=O	786
+c1cc(ccc1Cl)Nc2nc(SC)nc3n(CC)cnc23	1721
+c1cc(CSC)ncc1Br	3446
+C(C)OC(=O)c1cc2sc(nc2cc1)SC	10340
+c1c(Cl)ncnc1SC	2147
+Nc1nc2ccc(Cl)nc2s1	2153
+S(CC(c1c(c(F)ccc1)F)=O)C#N	4991
+c1ccc(C(=O)N=C=S)cc1C#N	10341
+NC(=S)Nc1cccc(C)c1	10342
+Nc1sc2c(n1)cc(c(OC)c2)Br	10343
+c1(C)cc2nc(N)sc2cc1OC	821
+c1ccccc1-c2cc(cc(-c3ccccc3)c2O)SC#N	2871
+c1cc(ccc1-c2ccc3nnc(n3c2)Sc4cc5c(cc4)nc(N)s5)F	821
+c1cc(ccc1C(CSC#N)=O)Br	4991
+C1CC2CCN1CC2Oc3nnc(-c4cc5sc(N)nc5cc4)cc3	821
+Nc1sc2cc(C#N)ccc2n1	821
+CC(C)(c1cccc(C(Nc2cc(ccc2C)Oc3ccc4nc(N)sc4c3)=O)c1)C#N	821
+n1cc(Sc2cc3sc(N)nc3cc2)n4c1nccc4	821
+c1ccccc1OCC(N2CCC(CC2)Cc3ccccc3)C(c4cc5sc(nc5cc4)N)O	821
+Nc1nc2ccc(OC)nc2s1	2153
+c1cc(ccc1[N+]([O-])=O)COC(=O)N2C(COCC(N)=O)CC(SC(C)=O)C2	4943
+c1cc(C(=O)OC)cc2OC(=S)Nc12	2872
+c1c2c(OC(=S)N2)cc(c1)O	2872
+c1c(OC)c(OC)cc2c1nc3sc(c(c3c2)N)C(=O)N	10344
+c1ccccc1COCC(Cc2nc(c3c(c(sc3n2)C(N)=O)N)-c4ccc(c(Cl)c4)Cl)C	3771
+c1(O)c2c(ncc(c2)[N+](=O)[O-])sc1C(=O)OC	10345
+c12nnc3CCCCc3c1c(N)c(C(=O)OC)s2	10346
+c1c(C(=O)OC)sc2c(F)ccc(OC)c12	1425
+c1c(cc2OCCc3c(sc(c3)C(=O)OC)-c2c1)Br	10347
+c1cc(ccc1OC)Sc2c3c(ccc2)sc(C(OC)=O)c3	4931
+C1CSC2(S1)c3c(c(Br)cc(c3CCC2)C)C	10348
+OCC(CC)CSc1ccccc1OC	3138
+c1nc2ccc(SCCCSc3ccnc(CSc4nccc(n4)C)c3C)nn2c1[N+]([O-])=O	4992
+Clc1c([N+]([O-])=O)cc(C)c(c1)C#N	2223
+C(c1c(c(Cl)ccc1)C#N)(=O)OC	180
+c1(C)c(C#N)ncc(CO)c1	10349
+c1(c(NC(C)=O)ccc(C#N)c1F)C	180
+COc1ccc(CC(OC)=O)c(C#N)c1	180
+COc1cc(ccc1C#N)F	180
+c1cc2CCN(CCc2cc1C#N)C(C)=O	2223
+c12c(Cl)cc(C#N)cc1C(OC(c3cc(Cl)nn3-c4c(Cl)cccn4)=N2)=O	1942
+c1cc2-c3ccc(C#N)cc3C(c2cc1Br)=O	180
+c1(ccc(cc1C#N)C(=O)OC)O	180
+c1cc(C)n(c1C)-c2cc(C)cc(CCc3cc(cc(Br)c3)C#N)n2	180
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)C#N	2223
+C(c1cc(C#N)ccc1N)C#N	180
+[nH]1c2cc(C#N)ccc2c(Sc3cc(ccc3)C(=O)OC)c1C	4993
+[nH]1c(c(c2cc(C#N)ccc12)C)-c3cnccc3	180
+O=C1C=Cc2ccc(C#N)cc2N1CC(OC)=O	180
+c1[nH]c2c(cc(C#N)cc2)c1CC(OC)=O	180
+C(C)OC(c1cc2c(ccc(C#N)c2)[nH]1)=O	180
+c12ccc(Cl)nc1ccc(C#N)c2	180
+c1c2c(nc(c1)O)cc(C#N)cc2	4993
+c1(NC(C)=O)ccc(cc1C#N)CCCC	180
+c1cc(ccc1)-c2ccc(C#N)cc2F	180
+c1cc(ccc1)Oc2cccc3c2c(O)c(nc3C#N)C(OC)=O	942
+c1cc(ccc1C#N)-c2nc3n(cc(cc3)C)c2	180
+c1cc(ccc1-c2ccc(cc2)C=O)C#N	180
+c1cc(ccc1C(OC)OC)-c2nc(-c3cc(C#N)c(OC(C)C)cc3)no2	180
+c1ccccc1CN2C(=O)C3C(Cc4ccc(cc4)C#N)N(C(C)(C)C3C2=O)C	180
+O=S1(=O)N=C(C2=C(C3C(N(Cc4ccc(cc4)F)C2=O)C5CCC3C5)O)Nc6ccc(C#N)cc16	10350
+c1cc(ccc1O)C(=C(CC)c2ccccc2)c3cc(C#N)c(OCCNC)cc3	180
+c1cc(ccc1Oc2cc3c(c(nc(C(OCCCC)=O)c3O)C#N)cc2)OCCC	942
+c1cc(ccc1Oc2c3c(ccc2)c(c(nc3C#N)C(=O)OC)O)OC	942
+n1c2c(c(O)nc1CCCC)cc(C#N)cc2	1942
+c1ccc2c(c1)C(=O)N(C2=O)C3CC(c4c(F)cc(c(c4)F)C#N)CC3	180
+c1ccccc1C2(CN(C(C)=O)c3cc(C#N)ccc23)C	180
+c1cc(ccc1)Oc2c3c(ccc2)c(c(C(=O)OC)nc3C#N)OC	942
+c1cnccc1-c2nc(C#N)c(nc2-c3ccco3)N	10351
+c1([N+]([O-])=O)ccc2[nH]nc(c2c1)C#N	10352
+c1(c2c(ccc(c2)Oc3ccc4ccccc4c3)c(O)c(C(=O)OC)n1)C#N	10353
+n1cc(cnc1N2CCC(CC2)O)C#N	10354
+c1cc(ccc1-c2ocnc2C(=O)OC)C#N	10355
+c1c(CC)c(c(cc1-c2ccc(cc2)Cl)CC)Br	1078
+c1cc(ccc1-c2oc3c(cc(c(N(S(=O)(=O)C)c4ccc(c(c4)CCO)Br)c3)C5CC5)c2C(NC)=O)F	1078
+c1c(cccc1OC)Oc2c(Cl)cc(F)c(Br)c2	1030
+c1cc(ccc1Oc2cc(Br)c(cc2Cl)F)OC	1030
+c1ccccc1C(=O)Nc2ccc(cc2)CN3C(=O)C(=CC3)CCC(NO[K])=O	909
+c1(ccc(C(C(C)=O)CC=C)cc1Cl)Cl	2555
+c1(nc(nc(OC)c1)NC(NS(=O)(=O)c2c(cccc2)C(C)=O)=O)OC	3139
+c1c(cc(c(N)c1)C(=O)C)Br	3139
+CC(=O)c1ccc(OC)c(N(CCC)c2nc(-c3c(cc(cc3)OC)Cl)c(C)s2)c1	3139
+c1cc(ccc1)-c2c(sc(C(C)=O)c2)C	4994
+c1cc(ccc1N2C(CC)=NC(CCC)=C(C2=O)Cc3ccc(cc3)-c4ccccc4C#N)C(C)(C)O	3129
+c1cc(ccc1C(C)(C)O)OC	3129
+c1ccccc1-c2cc(C(C)=O)sc2CC	4994
+c1cc(ccc1)COC(NC2C(NC(=O)OCc3ccccc3)CC(O)(C)CC2)=O	2799
+c1(c(Br)cccc1N2N=C(C(=O)C)C(=O)C(=C2)OC)F	1183
+c1cc(N2N=C(C(=O)C)C(=O)C(=C2)OC)c(F)cc1I	1183
+c1cc(ccc1-n2nc(cc2-c3ccc(cc3)Cl)CCC(C)(C)O)OC	3893
+c1cc(ccc1CC2(CCN(CC2)C(=O)C3CN(Cc4ccccc4)c5cc(c(C(C)O)cc5O3)Cl)C#N)F	4932
+c1ccccc1COc2cc(c(cc2)N3C=C(C(C(=N3)C(C)=O)=O)OC)F	1183
+Cc1cc(cc(C)c1CC(=O)C)Br	591
+C(C)(c1ccc(C)c(F)c1)O	449
+n1ccc2cccc(c2c1)C(=O)C	1024
+CC(C)(c1cc2c(C(CCC2)C)cc1OC)O	1033
+CC(C)(Cc1cccc(Br)c1)O	736
+OC(c1ccncc1Br)C	449
+c1c(Br)c(ccc1)OC(C(=O)C)CCC	591
+c1(Cl)cc(cc(Cl)n1)C(C)=O	1024
+c1c(F)c(c(cc1)F)-c2c3c([nH]c4c3CCC(C(=O)C)C4)c(C(=O)N)cc2	591
+c1cc(cc(c1)F)-n2c(cc3c(Cl)cccc23)C(C)=O	3140
+c1cc(c(Cl)nc1Cl)C(=O)C	10356
+c1cc(cc(c1)F)-n2c(C(=O)C)c(c3ccccc23)C#N	3140
+c1cc(ccc1)C2(CC(C2)C)c3c(C(O)C)ccc(OCc4ccc5cc(ccc5n4)F)c3	449
+C1CC(CCO1)(c2cc(OCc3ccccc3)cc(F)c2)C(C)O	684
+c1cc(ccc1)Cc2cc3c(cc2)oc(-c4c(cc(cc4)C(C)O)F)c3	449
+c1cc(ccc1-c2ccc(OC)c(c2)C(O)C)C#N	449
+c1cc(ccc1-c2nc3n(c2)cc(-c4c(F)ccc(C(C)O)c4)cc3)Cl	449
+c1cc(ccc1-c2nc3ccc(cn3c2)I)C(C)O	449
+c1cc(ccc1-n2c(cc(CCC(C)O)n2)-c3ccc(cc3)Cl)OC	684
+c1cc(ccc1C(C)(C)O)Br	1033
+c1cc(ccc1C(N2CC(C(=O)C)CC2=O)C)OC	591
+c1cc(ccc1)C(C(=O)C)Cc2ccc(cc2)Cl	591
+C1CC(CCC1OCC(=O)C)N2C(C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)n5ncnc25)=O	591
+c1(cccc(c1OCC=C)OCC=C)C(C)O	449
+C1CCCc2c(cccc2)C1(O)C	1033
+c1ccccc1C(O)(c2ccc(c(Cl)c2)Br)C	4995
+c1cc(ccc1)C(C(C)(C)C(C)O)c2ccc3n(-c4ccc(cc4)F)ncc3c2	684
+c1cc(ccc1)C(O)(c2ccc3c(cco3)c2)C	4995
+c1cc(ccc1)C2(CC(N(CC2)C(c3ccc(cc3)Br)C)=O)CC(C)(C)O	736
+c1ccccc1CN2C(C)COC(CC(O)C)(C)C2=O	684
+n1c(c(C(C)O)cc2c(Cl)cccc12)-c3cc(ccc3)F	2129
+n1ccnn1-c2c(C(=O)N3C(CCC(C(C)=O)C3)C)cccc2	591
+n1n(C)c(CC)cc1C(=O)C	3140
+c1(cc(C(CCCCCC)O)ccc1)Br	758
+c12c3c(cccc3)ncc1nc(CCC)n2CCCC(CCCCCC)=O	2851
+[N-]=[N+]=NC1CCc2c(C1)c(NC(C)=O)c(cc2Br)[N+]([O-])=O	31
+c1(F)c(cc[n+]([O-])c1C)[N+](=O)[O-]	2296
+c1(Cl)cc(C(=O)OC)c(OC)c(c1NC(C)=O)[N+]([O-])=O	31
+O(CC)C(C(C)c1cc2c(ccc([N+]([O-])=O)c2)[nH]1)=O	31
+c1(C)c(F)cc([N+]([O-])=O)c(NC(C)=O)c1	31
+c1([N+]([O-])=O)cc(C)c(NC(C)=O)cc1F	77
+c1(C)c(c(C)c([n+](c1)[O-])C)[N+]([O-])=O	2296
+Clc1c(C(=O)O)cc(F)c(C)c1[N+](=O)[O-]	77
+c1c(C)c(c(cc1-c2c(C)c3c([nH]2)ccc(c3)[N+](=O)[O-])C)O	31
+c1(C)cc(cc(C)n1)CCc2ccc(cc2)[N+]([O-])=O	77
+Cc1c(c(cc(C)n1)O)[N+]([O-])=O	475
+C(n1c(-c2c(c(ccc2C)[N+]([O-])=O)C)nc(c1Cl)Cl)CCC	31
+c1c([N+]([O-])=O)c(O)c(Cl)cc1C=O	31
+c1(c(CCCl)cc(c(O)c1[N+](=O)[O-])Cl)F	31
+c1(O)c(Cl)cc(c(N2N=NN(CCCF)C2=O)c1[N+]([O-])=O)F	31
+c1(F)c2c([nH]cc2[N+](=O)[O-])ncc1OCC	3141
+c1(cc(c(cc1Br)[N+]([O-])=O)O)F	31
+c1(F)c2c([nH]cc2[N+](=O)[O-])ncc1Br	3141
+c1(F)c2c([nH]cc2[N+](=O)[O-])ncc1Cl	3141
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+O=C1OCCc2c(ccc([N+]([O-])=O)c2)N1C	77
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+COc1cc(C(=O)OC)c([N+]([O-])=O)cc1OCCOC	31
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+c1c(cc2ncc([N+]([O-])=O)c(O)c2c1)Br	475
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+CCc1c(Br)cc(c(N)n1)[N+](=O)[O-]	475
+c12ccc([N+]([O-])=O)cc1C(CCC23C(NC(CC3)=O)=O)=O	31
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+[N+](c1ccc2c(CCN(CC2)C(C)=O)c1)([O-])=O	31
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+C1CC(=O)c2cc(Br)c(NC(C)=O)c([N+]([O-])=O)c12	31
+c12cc(Br)c(NC(C)=O)c([N+]([O-])=O)c1CCC2CCC(=O)O	31
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+c1cc([N+]([O-])=O)cc2c1CCCCN2	31
+c12c(c(c(cn1)[N+]([O-])=O)O)cccc2	475
+[n+]1([O-])ccc(cc1CCC)[N+](=O)[O-]	10359
+c1(cc(C#N)c(Cl)cc1F)[N+]([O-])=O	31
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+c1cc(N2C(Nc3c(c(c(c(F)c23)F)[N+](=O)[O-])OC)=O)c(F)cc1I	31
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+c1(cc(c(cc1F)C)Br)[N+]([O-])=O	31
+Cc1c(ccc([N+]([O-])=O)n1)O	3004
+c1(OC)c(OCc2c(F)c(ccc2OC)F)cc([N+](=O)[O-])c(c1)Cl	77
+c1([N+]([O-])=O)cc(c(Cl)cc1F)CC(=O)O	31
+c1([N+]([O-])=O)cc(cc(Br)c1OC)C#N	31
+c1([N+]([O-])=O)cc(OC(=O)OC)c(cc1F)CC	31
+c12C(=O)C(Nc1c(cc(c2)F)[N+]([O-])=O)=O	77
+c1cc(ccc1)-c2[nH]nc3cc(C)c([N+]([O-])=O)cc23	31
+c1cc(ccc1)-c2cc3c(cc2)c(c([N+](=O)[O-])cn3)O	475
+c1cc(ccc1)C(=O)Oc2ccc(c([N+]([O-])=O)c2)O	77
+c1cc(ccc1[N+]([O-])=O)C(C(O)=O)CC	77
+c1cc(ccc1C2CC(=O)N(C2C(OCC)=O)C)[N+]([O-])=O	31
+c1cc(ccc1CC(C(O)=O)N)[N+]([O-])=O	31
+c1cc(ccc1)COCC2CC(N(c3nn(cc3[N+](=O)[O-])C)C2)=O	4734
+c1ccccc1COc2c(cc(c([N+](=O)[O-])c2)Br)OC	77
+c1ccccc1COc2cc([N+](=O)[O-])c(cc2OC)C(C)=O	77
+c1cc(ccc1N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl)[N+](=O)[O-]	77
+c1cc(ccc1F)-c2oc3cc(c(Br)cc3c2C(=O)OC)[N+](=O)[O-]	2362
+c1(c(F)ccc(-c2nccc(OC)c2)c1)[N+]([O-])=O	4415
+CC(C)c1ccc(c(c1)[N+](=O)[O-])Br	31
+c1cc(ccc1C(=O)OCCCCO[N+](=O)[O-])[N+](=O)[O-]	10360
+c1c(ccc(N)c1[N+]([O-])=O)C(C)C(=O)O	31
+c1(ccc(C(=O)C)cc1[N+]([O-])=O)CC	31
+CC(C)c1c([N+](=O)[O-])cc(cc1)N	31
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+C1NC(=O)CC1c2ccc(Cl)c([N+]([O-])=O)c2	77
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+C(c1ccc(CC)c([N+]([O-])=O)c1)(=O)O	31
+FC(F)Oc1n(nc(c1Cl)-c2cc([N+]([O-])=O)c(cc2)Cl)C	31
+Clc1c([N+]([O-])=O)cc(C(=O)c2ccccn2)cc1	77
+C1CCCCC1C(c2cc(c(cc2)Cl)[N+]([O-])=O)=O	31
+c1cc(ccc1-c2c(c3c(cc([N+](=O)[O-])c(Br)c3)o2)C(OCC)=O)F	2362
+C(C(c1ccc(c([N+]([O-])=O)c1)F)=O)CC(=O)O	31
+C1CCCCC1C(=O)c2ccc(F)c([N+](=O)[O-])c2	31
+c1cc(ccc1Cn2c(C(C)=O)cc(c2)[N+](=O)[O-])F	10361
+Nc1cc(c(cc1)CC)[N+]([O-])=O	31
+CC(C)C(=O)Nc1c(cc(cc1)C(=O)OCC)[N+](=O)[O-]	31
+C(c1ccc(c([N+]([O-])=O)c1)O)C(=O)O	31
+c1cc(c([N+]([O-])=O)cc1CCC)O	31
+C(CCCCCCCCCC)Cc1ccc(O)c(c1)[N+]([O-])=O	77
+n1c(NC)nc(Oc2ccc(c([N+]([O-])=O)c2)O)cc1	77
+c1cc(OC(C)=O)cc([N+]([O-])=O)c1OC	31
+c1cc(OC(OCC)=O)cc([N+]([O-])=O)c1OC	31
+Clc1cc(cc(Cl)c1Oc2ccc(c([N+](=O)[O-])c2)OC)N3C(=O)NC(C=N3)=O	77
+c1cc(ccc1C(OCC)=O)Oc2c(F)cc(F)c([N+]([O-])=O)c2	31
+c12c([nH]cc1)nccc2Oc3ccc(c([N+]([O-])=O)c3)O	31
+c1cc(ccc1S(=O)(=O)C)-c2cc([N+](=O)[O-])sc2-c3ccc(cc3)F	10362
+O=S(=O)(c1ccc(C)c(c1)[N+]([O-])=O)C	31
+O=S(=O)(Cl)c1cc(c(cc1)NC(=O)OCC)[N+](=O)[O-]	77
+c1cc(ccc1N=Nc2cc(c(O)c([N+]([O-])=O)c2)Cl)S(=O)(=O)F	31
+c1cc(ccc1S(=O)(=O)Nc2ccc(F)cc2[N+](=O)[O-])C	31
+c12c(CCCC1)cc(c(n2)O)[N+]([O-])=O	1026
+n1c2c(c3nc(O)c(nc3cc2[N+]([O-])=O)O)n(C)n1	10363
+c12c(C)cc(O)nc1c([N+]([O-])=O)cc(OC)c2Cl	3037
+c12CCCc1c(N)ccc2	4996
+c1c2c(CC3(C(NC(=O)N3)=O)C2)cc([N+]([O-])=O)c1	31
+C1Cc2c(CCC1=O)cc([N+]([O-])=O)cc2	31
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+c1cc(ccc1-c2c3nccn3ccc2)[N+](=O)[O-]	77
+c1ccccc1-c2cc3c(c([N+](=O)[O-])sc3cc2)Br	10365
+c1cc(ccc1-c2cnc(O)cn2)[N+](=O)[O-]	77
+c1cc(ccc1[N+](=O)[O-])C23CN(CC2C3)C(C)=O	31
+c1cc(ccc1CCCF)[N+]([O-])=O	31
+c1ccccc1COc2cc(C=O)c([N+](=O)[O-])cc2OC	77
+c1ccccc1COc2c(c([N+]([O-])=O)c3C(CCc3c2)=O)O	31
+c1ccccc1COc2cc(C#N)c(cc2OC)[N+]([O-])=O	77
+c1ccccc1COc2c(c([N+]([O-])=O)cc(-c3ccc(cn3)C=C4SC(=O)NC4=O)c2)O	77
+c1ccccc1COc2ccc3c(c2)ncc([N+](=O)[O-])c3O	475
+c1ccccc1Oc2ccc(O)c([N+](=O)[O-])c2	31
+OP(O)(=O)c1cccc(c1)[N+]([O-])=O	31
+c1cnccc1-c2c(c(ccc2F)[N+](=O)[O-])F	31
+Brc1c(O)nc(C)c(c1)[N+](=O)[O-]	1026
+N#Cc1c(O)nc(C)c(c1)[N+](=O)[O-]	1026
+Fc1nc(F)c(cc1[N+]([O-])=O)F	475
+c1([N+]([O-])=O)ccc2c(c(C)cc(O)n2)c1	31
+c1(cc2c(cccc2[N+]([O-])=O)cn1)COC	77
+n1cccc(-n2cc([N+]([O-])=O)c(Cl)n2)c1	1733
+c12c(c(ccc1Cl)[N+]([O-])=O)nccc2	3037
+c1ccccc1COc2cc([N+]([O-])=O)c(CC(=O)OCC)c3c2cccc3	22
+n1nn2c(c(N)c(c3ccccc23)NCCOCCCc4cccnc4)n1	4997
+c1(cc(c([N+]([O-])=O)cc1OC)O)C	5
+Nc1cc(OC)c(CCNCc2c(cccc2)OC)cc1OC	0
+c12c(cccc1)C(=O)N(C2=O)CCCCSc3cc(cc(c3)N)[N+](=O)[O-]	0
+Nc1c(c([N+]([O-])=O)cc(C(=O)O)c1)C	0
+Nc1cc(Cl)nc(C(=O)OC)c1Br	912
+[N+]([O-])(=O)C=Cc1c(c(c(c(c1C)OC)C)C)OC	417
+c1cc(C=C[N+]([O-])=O)cc(C)c1OC	417
+C(C[N+](=O)[O-])c1cc(ccc1)OCC	10366
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)C=C[N+]([O-])=O	417
+Fc1c(ccc(C=C[N+]([O-])=O)c1)F	417
+c1cc(C=C[N+]([O-])=O)cc(c1OCc2cccc3ccccc23)OC	417
+c1cc(ccc1[N+]([O-])=O)C2C3C(CN(C(=O)CC)C3)C2	1564
+c1cc(ccc1)Cc2cc3c(C=C[N+](=O)[O-])c[nH]c3cc2	4766
+c1cc(ccc1C(C[N+](=O)[O-])CC(=O)OC)Cl	10367
+C(#N)COc1ccc(c([N+]([O-])=O)c1)O	1564
+c1cc(ccc1OCc2cscc2)C=C[N+](=O)[O-]	417
+C1Cc2c(CCC1=O)cc([N+]([O-])=O)cc2	1564
+c1ccccc1C2(CC2)c3nc4c(nc(-c5c(F)cc(cc5)C=C[N+]([O-])=O)s4)cc3	417
+c1ccccc1COc2c(C=C[N+](=O)[O-])ccc(C(C)C)c2	417
+C1(C(CC(CC1)O)c2cc(OC)c(cc2)OC)[N+](=O)[O-]	100
+c1c(c(c(F)cc1)C)CC[N+](=O)[O-]	364
+c1(c(c(c(OC)c(c1C)CC[N+]([O-])=O)C)C)OC	364
+c1c(c(CC)c(Br)cc1)CC[N+](=O)[O-]	364
+O=C(c1c(cc(c(c1)N)F)F)O	0
+c1ccc(Oc2nc(ncc2Cl)Cl)c(N)c1	0
+O=C(c1cc(n(n1)-c2c(cc([N+]([O-])=O)cc2)C(=O)N3Cc4ccccc4CC3CO)C)O	6
+c1cc(ccc1Oc2c([N+](=O)[O-])cc(c(Br)c2)F)OC	46
+c12n(nnc1c(cc3c2NC(C(=O)N3)=O)N)C	13
+OCC1Cn2c3ccccc3nc2-c4ccccc4O1	1118
+NC(=O)c1c(nc2c(cccc2)c1)N	10368
+c1ccc(C=C(C(=O)OCC)C)c(N)c1	0
+c1ccc(c(N)c1)OC2CCOC2	0
+[N+]([O-])(=O)c1ccccc1Oc2cc(ccc2)OC(C)C#N	143
+c1([nH]nnn1)C(Oc2cc(ccc2)Oc3ccccc3[N+]([O-])=O)C	1104
+c1(ccncc1N)Nc2ccc3c(c2)CC(C#N)C3	13
+c1cccc(c1N)-c2ccc(OC)c(OC)c2	0
+Nc1cnc(NCc2ncccc2)c(Cl)c1	13
+O=[N+](c1c(Nc2ccc(c(C)c2)C)cc(c([N+]([O-])=O)c1)O)[O-]	275
+Nc1cccc(c1C)C(=O)C	0
+c1c(CO)c(C)c([N+]([O-])=O)cc1	49
+Nc1c(c(ccc1)O)C	0
+c1cc(ccc1Cl)-c2ccccc2[N+]([O-])=O	11
+c1ccccc1COc2c(F)cc(c(F)c2)[N+]([O-])=O	57
+c1(c(c(c(F)c(F)c1F)N)N)F	0
+Nc1cc2cccnc2c(Br)c1	0
+c1cc(ccc1)-c2cc([N+](=O)[O-])cc3c2nn(C)c3	1009
+c1cccc(N)c1Oc2cc(c(C#N)cc2)C#N	10369
+C(O)c1cc([N+]([O-])=O)cc(F)c1F	59
+[N+](c1cc2c(c(F)c1)[nH]cc2)([O-])=O	1452
+O=C(OCC)Cc1c(F)cc(c(c1)N)F	0
+[N+](c1cc2c(nc(o2)C)c(c1)Br)([O-])=O	1692
+c1c(cc([N+]([O-])=O)cc1-n2nccc2)NC(C)=O	901
+c1c(cc([N+]([O-])=O)cc1-n2ncnc2)NC(C)=O	4998
+c1cc(ccc1N2CCN(CC2)C)Nc3nc(Oc4cc(Br)cc(c4)[N+]([O-])=O)c(CC)nc3C(=O)N	842
+c1cc(ccc1)COc2cc([N+]([O-])=O)cc(Br)c2	22
+c1-2c(c3c(cccc3)c(n1)O)Cc4cc(ccc-24)N	0
+c1-2ccc(cc1Cc3cc(ccc-23)CCC(=O)C)N	0
+Nc1cc2c(nc(o2)C)c(Br)c1	0
+c12CCN(CCc1cc(N)cc2)C(C)=O	0
+N1(CCc2c(CC1)cc(N)cc2)C	0
+Nc1c2[nH]ccc2ccc1	13
+Clc1ccc(N2CCC(C2)C(C)N)c([N+]([O-])=O)c1	18
+C(C=1N=C2N(C(=O)C=1c3cc(F)ccc3)C(=CS2)C)(C)N	1426
+C(CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C)(C)N	18
+C1Cc2cc(CC(C)N)cc(C#N)c2N1C(=O)C	18
+c1(C(C)N)cccc([N+]([O-])=O)c1	18
+c1c(cnc(C(C)N)c1)F	18
+C(c1cc(C)c(F)cc1)OCCCCC(N)C(OC)=O	4707
+C(C(N)c1ccc(nc1)OC)O	18
+[N-]=[N+]=NC(OCCO)COc1cccc(C(=O)O)c1	6
+C(N1c2cc(cc(F)c2C=CC1=O)F)CN3CC(O)C(CC3)N	18
+[N-]=[N+]=NC1CC(OC1CO)n2cnc3c2nc(nc3OCC)N	10370
+C1CC(c2cccc(C)c12)N	18
+C1c2c(cccc2F)NC(C(n3cc(-c4cc(OC)c(I)cc4)nn3)C1)=O	10371
+[N-]=[N+]=NC1CCc2c(ccc(c2)C#N)C1O	74
+C(=O)(CN1C(=O)C(N)CCc2ccc(OC)cc12)O	1584
+[N-]=[N+]=NC1CCc2ccc(OC)cc2N(C1=O)CC(=O)O	3
+c1cc2CCCC(N)c2cc1F	18
+C1(CCOc2c1ccc(C#N)c2)N	18
+c1ncc(-c2cc(Cl)c(C3=Cc4c(N(CC(CN)O)C3=O)nc(nc4)NCC)cc2)nc1C	18
+Clc1cccc(C(O)CN)c1	18
+[N-]=[N+]=NCc1ccc(nc1C#N)C	10372
+C1(C(Oc2c1cc(cc2Cl)Br)CN)O	18
+c1(cc2NC(=O)COc2cc1)N3CC(CC3=O)CN	18
+C1CC(C(=O)O)CC1CN	18
+[N-]=[N+]=NCC1CCC(C(=O)O)C1	4
+C1Oc2cccc(c2NC1CN)OC	18
+c12CCCc1c3c(CC(CN)O3)c(Cl)c2	18
+c1(F)cccc(F)c1-c2cccc3CC(CN=[N+]=[N-])Oc23	4738
+Clc1c2OC(CN)Cc2ccc1	18
+Oc1nc2c(C)cc3c(c2cc1)OC(CN)C3	18
+CC(C)CC(C(=O)NC(C(OC)=O)CCC(NCCCN=[N+]=[N-])=O)NC(C(NC(=O)OCc1ccccc1)CC#C)=O	188
+[N-]=[N+]=NCCCOc1ccc(cc1C(=O)O)C(=O)C	1
+N(C=O)c1scc(C(=NOCCN)C(=O)NC2C(=O)N3C(=C(CSc4n(C)nnn4)CSC23)C(=O)O)n1	18
+[nH]1cc(c2cc(ccc12)CCN)C#N	18
+[N-]=[N+]=NCCn1cnc2cc(C(=O)O)ccc12	1
+s1c2c(cccc2cc1-c3nc(ncc3F)NCCN4CCNC4=O)-c5c(CN)cnc(F)c5	18
+Clc1ccc(I)c(CN)c1	18
+C(c1ccc(CN)cc1C)CC(OC)=O	18
+C(c1ccc(C(=O)OC)c(Cl)c1)N	18
+C(c1ccc(CN)nc1Cl)(=O)OC	18
+Clc1ccc(CN)c(F)c1Oc2c(c(F)cc(c2)Br)Cl	18
+c1(Oc2c(Cl)ccc(CN)c2F)cc(cc(Br)c1)C#N	18
+C(c1ccc(c(c1)F)C#N)N	18
+c1cc(cc(F)c1CN)C(=O)OC	18
+c1c2CN=C(c2nc(C)c1)N	10373
+C1CCCC(n2c3cc(CN)ccc3cn2)O1	18
+C(c1ccc2c(nccc2)c1)N	18
+C(c1ccc2occc2c1)N	18
+c1c(c(OC)c(Br)cc1)CN	18
+C1OC(CCC1)OCc2c(cncc2Cl)CN	18
+c1(nc(CN)ccc1)N2CCCC2=O	18
+c1cc(-n2cnc(CN)c2)ncc1Br	18
+C(C)OC(c1ccc(N)c(C)c1F)=O	912
+C(c1cc(c(C)cc1)-n2nnc(-c3cnc(cc3)Cl)c2)(=O)O	3754
+C(c1c(nc(nc1N)C)Cn2ccnc2-c3cccc(F)n3)CC	1341
+C(C)OC(c1cc(c(N)c(C)c1F)F)=O	912
+c1(cc(cc(Cl)c1N=Cc2c(c(F)cnc2)N=[N+]=[N-])[N+](=O)[O-])Cl	3026
+c1nc2c(c(N)c1)c(OC)ccc2OC	912
+c1(nc(Br)cc(N)c1OC)C(=O)OC	912
+c1ccccc1OC(=Nc2cc(I)cc(c2)N=[N+]=[N-])NC#N	10374
+Nc1cc(nc(Cl)c1Cl)-c2cnco2	912
+c1cc(ccc1)-c2nnn(c2)-c3ccc(cc3C#N)-c4nccc(C(OC)=O)c4	2274
+c1c(cc(c(Nc2c(C(=O)OC)cnc(N)c2Cl)c1)Cl)Br	1341
+n1cccc2c(N)nccc12	1341
+[N-]=[N+]=NCCc1ccc2[nH]cc(c2c1)C#N	558
+C(N=[N+]=[N-])C1Oc2c(cc(C)c3c2c(c(c(n3)O)C)C)C1	310
+c1(cc(-c2nnn[nH]2)ccc1)C=O	1174
+N(Cc1ccccc1-c2nnsc2)=[N+]=[N-]	545
+C1c2c(Sc3cc(ccc3C1=O)Cc4[nH]nnn4)cccc2	1104
+c1(F)cc(cc(F)c1-c2cnccc2)N3C(OC(C3)CN=[N+]=[N-])=O	1445
+c1(c(c(ccc1)N2C(=O)NN=N2)C)Br	10375
+[N-]=[N+]=Nc1cc(Br)nc(c1OC)C(=O)OC	10376
+Clc1c(c(ccc1)N2C(=O)NN=N2)C	10377
+[N-]=[N+]=NCc1ccc2c(c1)OC(C=C2c3cc(F)ccc3)=O	545
+Ic1c(NC(Nc2c(cc(cc2)N=[N+]=[N-])O)=O)cccc1	615
+[N-]=[N+]=Nc1ccc(cc1C#N)-c2cc(ccn2)C(=O)OC	1870
+[N-]=[N+]=NCC1CC(N(c2cc3NC(=O)COc3cc2)C1)=O	600
+c1(cc2ncc(c(Nc3cccc(N=[N+]=[N-])c3)c2cc1OC)C#N)OC	615
+c1c(C)c(c(cc1)C)COc2cccc(-c3[nH]nnn3)c2	424
+c1c(-c2nc(-c3nnn[nH]3)ccc2)nc(s1)-c4ccc(c(OCC)c4)OCC	4832
+[N-]=[N+]=NCc1nc(ccc1)N2CCCC2=O	2297
+c12OCC(C)N3C=C(c4nnn[nH]4)C(=O)c(c13)c(N)c(c2F)F	10378
+N(=[N+]=[N-])Cc1cc2c(c(Cl)ccc2)nc1-c3c(cccc3)F	3336
+c1(CN=[N+]=[N-])nc2c(cccc2)c3ccccc13	2297
+[N-]=[N+]=NC1CCc2c(NC1=O)cc(OC)cc2	4999
+C1(c2c(C(=O)N1c3c(N=[N+]=[N-])cccc3)cccc2)=O	615
+c1cccc2CCc3c(cccc3)N(c12)CC(CN=[N+]=[N-])O	1648
+c1c(Br)cc2CCNC(=O)c2c1	10379
+[N-]=[N+]=NCc1nc(ccc1)Br	2297
+[N-]=[N+]=NC1CCc2cc(C#N)ccc2C1=O	10380
+[N-]=[N+]=NC(C)C(Nc1cccc(C(=O)C)c1)=O	4058
+[N-]=[N+]=NCc1ccc2occc2c1	545
+c1c(Cl)c(ccc1Cl)Oc2cc(c(Cl)cc2O)-c3nnn[nH]3	1174
+n1n(c(C)nn1)-c2ccc(I)cc2Cl	4307
+[N-]=[N+]=Nc1cc(ccc1)OCC(=O)O	615
+c1(-c2nnnn2C)cc([N+]([O-])=O)ccc1	3142
+c1c(c(C(=O)OC)cc(-c2nnn[nH]2)c1)OC	1174
+[N-]=[N+]=NCc1cc(c(F)cc1)Oc2cnccn2	10381
+c1c(CCN=[N+]=[N-])c([N+]([O-])=O)ccc1	310
+n1c2cc(F)cc(CN=[N+]=[N-])c2nc(OC)c1OC	2324
+c1(-c2nnnn2C)cc(ccc1)CCl	3142
+[N-]=[N+]=Nc1c2c(nc(-c3cc(F)ccc3)c1)ccc(c2)Br	1756
+C1CC(C(Nc2ccc3c(cccc3)c12)=O)N=[N+]=[N-]	4999
+C1(=O)c2c(C(=O)N1Cc3n(nnn3)Cc4ccccc4)cccc2	10382
+c1c2c(ccc1)N(CCN=[N+]=[N-])C(N2)=O	558
+c1c2ccc(-c3c(Cl)cc(-c4nnn[nH]4)cc3)nc2ccc1O	424
+c1c(-c2[nH]nnn2)cc3n1-c4ccccc4N(CC)C3=O	2915
+[N-]=[N+]=NCc1ncn(-c2ccc(Br)cn2)c1	5000
+[N-]=[N+]=NCc1ccc(C(=O)OC)c(Cl)c1	545
+[N-]=[N+]=Nc1c2c(ccc(c2ncc1)OC)OC	1756
+[N-]=[N+]=NCCCOc1ccc(cc1C(=O)OC)C(=O)C	310
+c1cc(ccc1)-c2c(C)nn(-c3ccc(cc3)CCN=[N+]=[N-])c2C	558
+c1cc(ccc1)-c2n(C3CCCCC3N=[N+]=[N-])cnc2C(=O)OCC	298
+c1cc(ccc1)-c2sc(c(CCN=[N+]=[N-])n2)C	133
+c1cc(ccc1)C(=O)NC2=NC3(COC(C(F)(F)C)C3CS2)c4c(F)ccc(N)c4	10383
+c1ccccc1C2CN(C(=O)CN=[N+]=[N-])c3ccccc23	10384
+c1ccccc1CC(CCCc2ccccc2C(=O)OC)N=[N+]=[N-]	298
+c1cc(ccc1)CCCCCCCCOCC(CN=[N+]=[N-])O	1648
+c1cc(ccc1)COC(=O)N2CCCC(CN=[N+]=[N-])C2	133
+c1ccccc1COC(NC2C(N(C(=O)OCc3ccccc3)CC2)CN=[N+]=[N-])=O	254
+c1cc(ccc1)COCCOC(C)CN=[N+]=[N-]	600
+c1cc(ccc1)COc2cc3c4c(CCCc4nn3CC(C)N=[N+]=[N-])c2	2135
+c1cc(ccc1)Cc2c3c(n(C)c2-c4ccccc4)ccc(-c5ccc(cc5)OCc6nnn[nH]6)c3	420
+c1cc(ccc1)Cc2cc3cc(ccc3nc2Oc4ccc(F)cc4C(C)=O)N=[N+]=[N-]	615
+c1cc(ccc1)Cn2c3c(nc2CN=[N+]=[N-])N(C)C(=O)N(CCCCC(O)C)C3=O	2902
+c1cc(ccc1)N2C(=O)CC(CN=[N+]=[N-])CC2	133
+c1cc(ccc1-c2ccc(c(-c3nnn[nH]3)c2)N)Cl	424
+c1cc(ccc1-c2cc(ccc2C)C(=O)NC3CC3)-c4oc(nn4)CN=[N+]=[N-]	10385
+c1cc(ccc1OCc2nnn[nH]2)-c3ccc4c(c3)c(CCCCC)c(n4C)-c5ccccc5	420
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(nc5c4cc(s5)CC)N=[N+]=[N-])=O	10386
+c1cc(ccc1-c2c(c(-c3[nH]nnn3)nn2-c4c(cc(Cl)cc4)Cl)C)Cl	10387
+c1cc(ccc1-c2[nH]nnn2)-c3csc(-c4c(cccc4)Cl)n3	424
+c1cc(ccc1-c2noc(-c3[nH]nnn3)c2)Oc4c(ccc(F)c4)Br	10388
+c1cc(ccc1-c2c(nc(CCCCCC(C)c3[nH]nnn3)o2)-c4ccc(cc4)Cl)Cl	420
+c1cc(ccc1-c2sc(cn2)C(Nc3nccc(n3)N4C(COC4=O)C(C)N=[N+]=[N-])C)Cl	298
+c1cc(ccc1-n2cnc(CN=[N+]=[N-])c2)N3C=CC=CC3=O	5000
+c1cc(ccc1C=2CC(CN=[N+]=[N-])ON=2)Br	133
+c1cc(ccc1-c2[nH]nnn2)-c3nc(c(O)cc3-c4ccc(cc4)F)O	424
+c1cc(ccc1-c2noc(-c3ccc(cc3)-c4[nH]nnn4)n2)-c5ccc(cc5)OCCCC(=O)O	424
+c1ccccc1-c2nc(sc2)-c3ccc(cc3)-c4[nH]nnn4	424
+c1cc(ccc1CCN=[N+]=[N-])C#N	600
+O=S(=O)(N1CCOc2ccc(cc12)C(Nc3ccc(cc3)-c4[nH]nnn4)=O)c5cc(Cl)ccc5OC	424
+c1cc(ccc1C(C)=O)CN=[N+]=[N-]	545
+c1cc(ccc1C#N)C(CCN=[N+]=[N-])n2ccnc2	133
+c1cc(ccc1C(Cc2ccccc2)N=[N+]=[N-])CCCC(=O)OC	10389
+c1cc(ccc1C)-c2cc(cc(C(OC)=O)c2)-n3c(C)nnn3	10390
+CC(C)COP(=O)(C)CC(O)CN=[N+]=[N-]	254
+[N-]=[N+]=NCC(O)c1cc(Cl)ccc1	254
+[N-]=[N+]=NCCCCC#C	254
+C(O)CCCCCN=[N+]=[N-]	254
+O=S(=O)(c1cccc2ccccc12)c3c4c(ccc(OCCCN=[N+]=[N-])c4)[nH]n3	254
+c1cc(ccc1-c2ccc(cc2)C3CCC(CC3)CCCC=C)C(N=[N+]=[N-])=O	10391
+c1cc(ccc1C=CC(=O)N=[N+]=[N-])C	10392
+c1cc(ccc1C(C)C)OC(Cc2ccc(cc2)OCCN=[N+]=[N-])(C)C(=O)OCC	133
+c1cc(ccc1OC)CC(C)(C)N	4972
+c1cc(ccc1)COc2ccc(cc2)CC(NC(CCCCCCc3ccccc3)=O)CCc4nnn[nH]4	1104
+c1ccccc1OC(Cc2ccc(cc2)OCCN=[N+]=[N-])C(OCC)=O	133
+c1(cc(cc(Cl)c1)N2C(C3(CC(N=[N+]=[N-])CN3C2=O)Cc4ccc(cc4)C#N)=O)Cl	298
+c1cc(ccc1-n2c3c(c(C)cc(C)n3)nc2CC)CCN=[N+]=[N-]	558
+c1cc(ccc1)-c2nc(CC)n(c2)-c3ccc(cc3)CCN=[N+]=[N-]	558
+c1cc(ccc1CCN=[N+]=[N-])CCOC2OCCCC2	133
+c1cc(ccc1CN=[N+]=[N-])CO	1298
+c1cc(ccc1Cl)C(c2ccc(cc2Cl)CN=[N+]=[N-])=O	545
+c1cc(ccc1Cl)CC(c2cccc(C#N)c2)C(N=[N+]=[N-])C	298
+c1cc(ccc1-c2ccccc2-c3[nH]nnn3)Cn4c(cc(C(=O)O)n4)CCCC	424
+c1cc(ccc1F)-c2c(C(OCC)=O)cc3cc(CN=[N+]=[N-])ccn23	2289
+c1cc(ccc1S(=O)(=O)N2C(c3ccc(cc3)F)CCC2c4nnn[nH]4)C	420
+c1cc(ccc1F)CCN2CCC(C(CN=[N+]=[N-])C2)C	133
+c1cc(ccc1N2C(OC(CN=[N+]=[N-])C2)=O)I	133
+c1ccccc1COC(=O)C(C(C)C)c2ccc(cc2)N=[N+]=[N-]	615
+c1cc(ccc1N2CCN(CC2)CCN=[N+]=[N-])[N+]([O-])=O	558
+c1cc(ccc1N2CCN(CC2)c3nc(c(-c4[nH]nnn4)s3)-c5ccccc5)OC	10393
+c1cc(ccc1-c2c(c(cc(Br)n2)C(OC)=O)N=[N+]=[N-])N3CCOCC3	5001
+c1cc(ccc1N=Nc2ccc(O)c(C(O)=O)c2)OCCCCCCCCN=[N+]=[N-]	310
+c1cc(ccc1-c2ccc(c(n2)O)C(O)=O)NC(=O)Cc3[nH]nnn3	10394
+c1cc(ccc1Nc2ncc(c(n2)O)Br)S(=N)(=O)C	10395
+c1cc(ccc1OC(C(OC)=O)c2ccccc2Cl)CN=[N+]=[N-]	545
+c1cc(ccc1CCCCN=[N+]=[N-])OC	254
+c1cc(ccc1S(=O)(=O)N(CCc2ccc(cc2)OC)CCC(=O)OC)-c3[nH]nnn3	424
+c1cc(ccc1OCc2nnn[nH]2)-c3cc4c(c(n(C)c4cc3)-c5ccccc5)C	420
+c1cc(ccc1OCc2nnn[nH]2)-c3ccc4n(Cc5ccccc5)c(C)c(C)c4c3	420
+c1cc(ccc1-c2c(C#N)c3c(n2CC)cc(cc3)OC)OCCN=[N+]=[N-]	310
+c1cc(ccc1OCCCc2[nH]nnn2)CCCCNC(=O)OCc3ccccc3	420
+c1cc(ccc1OCCCCN=[N+]=[N-])C=Cc2nc3c(C(N(C(N3CC)=O)CC)=O)n2C	310
+c1cc(ccc1OCCN=[N+]=[N-])CCC(=O)OC	558
+c1cc(ccc1OCCN=[N+]=[N-])CC(C)(CCCc2ccccc2)C(=O)OCC	133
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN=[N+]=[N-]	254
+c1cc(ccc1OCCc2nnn[nH]2)OCc3nc4c(cc3)cccc4	1104
+c1cc(ccc1)COC(N2CC(CC)C(C2)N=[N+]=[N-])=O	2780
+c1cc(ccc1)COC(N2CC(CN=[N+]=[N-])C(=NOC)C2)=O	254
+[N-]=[N+]=NCC1Oc2c(-c3ccsc3)cc(Cl)cc2C1	254
+[N-]=[N+]=NCC1Cc2c(O1)c3c(CCC3)cc2Cl	254
+Cc1ccccc1-c2c(ccc3CC(CN=[N+]=[N-])Oc23)F	254
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCN=[N+]=[N-])C3	254
+O(CCN=[N+]=[N-])CCOCCOCCOC	254
+c1cc(ccc1[N+](=O)[O-])OCCOCCOCCOCCN=[N+]=[N-]	254
+c1cc(ccc1[N+](=O)[O-])-c2nnnn2C	3142
+c1n2C(c3c(N=c2ccc1-c4nnn[nH]4)sc(CC)c3)=O	2915
+C(OC)(c1ccccc1-c2ccc(nc2)CN=[N+]=[N-])=O	2297
+c1ccc2c(c1)c3c(cccc3)n2CCCN=[N+]=[N-]	133
+c1ccc(OCc2nc3c(cccc3)cc2)cc1COc4cc(ccc4)-c5[nH]nnn5	424
+c1c2CCCC(Nc2ccc1)=O	10396
+c1cc(ccc1)-c2c(C(OC)=O)c3c(nc2C(C)N=[N+]=[N-])ccc(F)c3	10397
+c1ccccc1-c2n(c3cccc(-c4ccc(cc4)OCc5nnn[nH]5)c3c2C)Cc6ccccc6	420
+c1ccccc1C(N2C(C(CC2)CN=[N+]=[N-])C(OC)=O)C	1445
+c1cc(ccc1)C(C2CC(=O)N(C2)C(C)c3ccccc3)N=[N+]=[N-]	10398
+C1CCCCC1C(c2ccccc2)CN=[N+]=[N-]	600
+c1ccccc1C(NC=2C=CN(C(N=2)=O)C3OC(CN=[N+]=[N-])C(O)C3O)=O	600
+c1ccccc1C(c2ccc(OCc3nnn[nH]3)c(Cl)c2Cl)=O	420
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)CN=[N+]=[N-]	133
+c1ccccc1C(c2ccccc2)C3CC(N=[N+]=[N-])CCO3	298
+c1ccccc1C2(CC(C2)C)c3c(C(=O)CN=[N+]=[N-])ccc(OCc4ccc5cc(ccc5n4)F)c3	3396
+c1ccccc1C2CCC(CC2)CN=[N+]=[N-]	1445
+c1ccccc1CC(=O)c2c(-c3cc4ccc(c(c4cc3)Br)OCc5[nH]nnn5)sc6ccccc26	420
+c1ccccc1CC(NC2=CC(N(CCC(CN=[N+]=[N-])F)C=C2)=O)=O	310
+c1ccccc1CN2C(C)=CC(C3=C2N(C)C(N(CCCCC(C)N=[N+]=[N-])C3=O)=O)=O	298
+c1ccccc1COC(N2C(Cc3c(C2)[nH]c4ccccc34)c5[nH]nnn5)=O	420
+c1ccccc1COC(=O)NC(CN)COC	4154
+c1ccccc1COC(N2c3c(cc(cc3)N4CC(OC4=O)CN=[N+]=[N-])CCCC2)=O	133
+c1cc(ccc1)COCC(CN=[N+]=[N-])O	1648
+c1ccccc1COCCCC(C)(C)COS(=O)(=O)CCCN=[N+]=[N-]	558
+c1ccccc1COc2ccc(-c3[nH]nnn3)c(OC)c2	424
+c1ccccc1COc2ccc(C(CN=[N+]=[N-])O)c3SC(=O)Nc23	310
+c1ccccc1COc2ccc(cc2)-c3c(c(cc(Br)n3)C(OC)=O)N=[N+]=[N-]	5001
+c1ccccc1COc2ccc3c(OC(C=C3CN=[N+]=[N-])=O)c2	10399
+c1cc(ccc1)N2C=C(CN=[N+]=[N-])C(=O)c3c2cc(cc3)Cl	10400
+c1ccccc1Nc2c3ccccc3nc(CN=[N+]=[N-])n2	2902
+[N-]=[N+]=NCC(CN1c2nc(SC)ncc2C=C(C1=O)c3c(Cl)cc(-c4nc(cnc4)C)cc3)O	1648
+N(=[N+]=[N-])CC1C(C(O)C(n2c3c(c(nc(N)n3)O)nc2)O1)O	1445
+n1c2c(c(O)nc1CCCC)cc(-c3nnn[nH]3)cc2	424
+[N-]=[N+]=Nc1cc2nc(Cn3ccnc3-c4cc(ccc4F)F)n(c2cc1)CC	615
+[N-]=[N+]=NCc1ccc2c(nccc2)c1	545
+c1nc(ncc1-c2nnn[nH]2)N3CCC(CC3)O	10401
+[N-]=[N+]=Nc1nccc2ncccc12	10402
+FC(F)(c1ncccn1)CN=[N+]=[N-]	1445
+c1cc(ccc1CN(C(=O)N(N=O)CCCl)C2C(O)C(O)C(O)CO2)OC	2591
+c1c(ccc(Oc2cc(c(cc2Br)[N+]([O-])=O)C)c1F)F	304
+c1(C)cc(c([N+]([O-])=O)c(C)c1[N+](=O)[O-])N	106
+c1ccc([N+]([O-])=O)c(Sc2c(C(=O)O)cccc2)c1	815
+c1(OC)cc(C)c(Nc2ccccc2[N+]([O-])=O)cc1	275
+c1(cccc(Nc2ccccc2[N+]([O-])=O)c1)-c3cnc4n3ccc(c4)C	275
+Fc1c(Nc2c([N+]([O-])=O)cccc2)cccc1	275
+c1cc(ccc1Oc2ccccc2[N+](=O)[O-])-c3cn(c4ncnc(N)c34)C(C)C	46
+c1cc(ccc1Cl)Sc2ccccc2[N+]([O-])=O	815
+c1c(Nc2c([N+]([O-])=O)cccc2)c(ccc1)C	275
+Fc1c(ccc(N)c1)Oc2c3cc(c(OC)cc3ncc2)OC	0
+c1c(NCc2cnccc2)c(ccc1)[N+]([O-])=O	205
+c1cc(ccc1)C2Cc3c(ccc(Oc4c(cccc4)[N+]([O-])=O)c3)C2	415
+C1(=C(N(N(C1=O)c2ccccc2F)C)C)N	3846
+C(CN)c1cc(F)c(cc1)F	157
+c1(cc(CCN)ccc1OCc2cccc3ccccc23)OC	157
+c1(c(c(Cl)c(Cl)c(c1Cl)Cl)[N+]([O-])=O)N	0
+n1(nc(-c2ncccc2)cc1)-c3ccc([N+]([O-])=O)cc3F	926
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c[nH]nc3cc2Br	46
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c[nH]nc3cc2	46
+c1cc(ccc1Cn2nc(c3ccccc23)Oc4c(cc([N+]([O-])=O)cc4)F)OC	10403
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c(nn(C4CCCCO4)c3)cc2Br	46
+c1cc([N+]([O-])=O)cc(F)c1Oc2cnc(OC)cc2	551
+c1cc(P(OCC)(C)=O)c(OCC)cc1N	0
+Nc1c(ccc([N+]([O-])=O)c1)CC	0
+c1c([N+]([O-])=O)cc([N+]([O-])=O)c(Sc2c(cccc2)N)c1	825
+O=[N+](c1cc(cc([N+](=O)[O-])c1)C(C)O)[O-]	74
+S1c2cc(C#N)ccc2C=Cc3cc(N)ccc13	0
+c12c(cccc1)Sc3c(C(N2)=O)cc(N)cc3	0
+c1(cc(N)ccc1NC(Nc2ccccc2I)=O)O	0
+c1(ccccc1CNc2ccc3c(n2)ccc(N)c3)OC	0
+c1cccc(NCCCCCCCCCCCCCCCCCC)c1N	0
+c1n(CCCN2c3c(cccc3)CC2)ncc1N	209
+c1n(CCn2nccc2)ncc1N	209
+C1C2(c3c(O1)ccnc3O)c4ccccc4N(CCCCC)C2=O	10404
+C=1c2c(nc(O)cc2)C(c3ccccc3C=1)=O	10405
+O=Cc1ccc([N+]([O-])=O)cc1C	5002
+c1cc(ccc1)CN(CC=O)S(=O)(=O)c2c(cccc2)[N+]([O-])=O	2775
+c1cc(ccc1C=O)C2(CC2)C#N	5002
+c1ccccc1C(N2C(=O)CC(C2)(COC)CCO)C	10406
+c1cc(ccc1)C(O)(C)CCO	10407
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(-c5ccnc(c5)C)c6cc(c(cc46)[N+](=O)[O-])CC=O	1981
+Clc1cnc(c(C)n1)C(=O)OC	2903
+c1c(cc2c(ccnc2c1)S)Br	10408
+c1cc(ccc1OCCO)-c2c(c(nc(c2C#N)OCC)S)C#N	3985
+c1cc(ccc1-c2ccc3C(=CC=4[Se]C(C)=C(C=4)C(=O)O)C(=O)Nc3c2)OC	10409
+c1cc(ccc1-c2ccc(C=3[Se]C=CC=3)c(F)c2)CC	10410
+Cc1cccc(C)c1-c2nc3ccc(cn3n2)C(OC)=O	10411
+O(C)CCCCOc1cc(CO)ncc1	813
+c1(C)nc(Cl)cc([N+]([O-])=O)c1	174
+c1(cc2cccc(C)c2nc1Cl)[N+]([O-])=O	2298
+CCCCOc1ccnc(c1C)COC(=O)C	174
+OCc1ccc(cn1)C(=O)OC	813
+Cc1c(-c2ncccc2)nc(cc1)COC(C)=O	174
+CCOc1c(Cl)ncc(Br)c1	174
+[nH]1c(C(=O)NC2CCN(CC2N=[N+]=[N-])c3sc(C(OC)=O)cn3)c(Cl)c(c1C)Cl	641
+[nH]1c(C(NC2CCN(CC2n3nncc3)c4sc(cn4)C(=O)O)=O)c(Cl)c(c1C)Cl	1
+[nH]1c(C(NC2CN(c3cccc(C(=O)O)c3)C2=O)=O)c(Cl)c(c1C)Cl	1
+c1cc(ccc1)C(CNC(=O)c2ccc3nc(C)[nH]c3c2)=O	10412
+c1ncoc1-c2cc3ccccc3[nH]2	4936
+c12c(ccnc1cc(OC)c(Br)c2)Nc3n[nH]c(c3C)C	10413
+C1(Nc2ncc(C=CC(=O)N(C)Cc3[nH]c4c(c3CC)cccc4)cc2OC1)=O	404
+c1ccc(cc1C(=O)OC)OCCn2c(-c3cnccc3)c(c4cc(C#N)ccc24)C	339
+c1ccccc1NC(NCCc2nnc3N(CCCCC)c4nc(Br)[nH]c4C(=O)n23)=O	282
+c1cc(ccc1C(NCCc2n3C(=O)c4[nH]c(Br)nc4N(CCCCC)c3nn2)=O)OC	14
+C(n1c(Br)nc2c1C(NC(=O)N2C)=O)c3ccccc3Br	371
+c1cc(ccc1Cl)Cn2c(Br)nc3N(C(NC(=O)c23)=O)C	371
+c1ccccc1CNC(=O)c2cc3c4c(C(CCC4)=O)[nH]c3cc2	14
+[nH]1c2C(NC(CCCO)Cc2c3cc(OC)ccc13)=O	95
+c1cc(ccc1Cn2c3c(C)cccc3c4c2CCCC4=O)F	190
+c1cc(ccc1)Cn2c3c(c4c2CCCC4=O)cccc3F	190
+c1(SCC=2N(c3ccccc3OC)C(=O)c4c(Cl)cccc4N=2)ncnc5nc[nH]c15	3031
+[nH]1c2c(c(C(=O)c3c(F)c(N)ccc3F)c1)cc(Br)cn2	2622
+c1cc(ccc1S(=O)(=O)n2cc(C(c3cc([N+]([O-])=O)ccc3)=O)c4cc(cnc24)-c5cccnc5)C	276
+c1(cccc([N+]([O-])=O)c1F)C(c2c[nH]c3c2cncn3)=O	814
+[nH]1cc(c2c1ncnc2Cl)C#N	1453
+O=S(=O)(n1ccc2c(ncnc12)Cl)c3ccc(cc3)C	276
+O=S(=O)(n1ccc2c3c(cnn3C)cnc12)c4ccc(cc4)C	276
+c1cc(ccc1)COC(=O)C2Cc3c(CC2)[nH]c4c(Cl)cccc34	283
+c12c(ncnc1nc[nH]2)NC(C)c3c(nc4c(c3)c(Cl)ccc4)-c5ncccc5	2042
+Cc1n(-c2cn(nc2)CC)c3cc(C#N)ccc3c1Sc4cc(ccc4)C(=O)OC	1865
+c1[nH]c2c(ccc(C)c2)c1CN	5003
+[nH]1c(nc2cc3C(=O)N(Cc3cc12)C)-c4c(ccnc4O)NC(Cc5cc(ccc5F)F)C	1598
+c1cc(ccc1S(=O)(=O)OCC2CN(C3C(c4cccc5[nH]cc(C3)c45)C2)C)C	36
+c1cc(ccc1Cn2c3c(c4ccccc24)C(=O)CCC3)C(OC)=O	190
+c1cc(ccc1S(=O)(=O)n2ccc3c(nc(Cl)nc23)Cl)C	276
+[nH]1c2c(c(C(=O)c3cc([N+]([O-])=O)ccc3)c1)cc(cn2)-c4cnccc4	814
+[nH]1c2c(c(C(=O)c3c(c(NC(OC)=O)ccc3F)F)c1)cc(Br)cn2	814
+[nH]1cc(c2c(-c3ccc(C)cc3C)ccnc12)C#N	1453
+c1cc(ccc1)S(=O)(=O)n2ccc3c(ccnc23)Br	276
+c1cc(ccc1Oc2ccnc3c2cc[nH]3)OCc4ccccc4	10414
+c1c2c(ccc1)nccc2-n3c4c(ccc(OC)c4)c(c3)C(OC)=O	5004
+[nH]1cc(c2c(N)cccc12)Cl	0
+O=S(=O)(c1ccc(cc1)C)n2cc(I)c3c(nc(Cl)nc23)Cl	276
+c1ccccc1-n2c3ncnc(Cl)c3c(I)c2	5005
+O=S(=O)(n1c2c(c(I)c1)cc(C(=O)O)cc2)c3ccc(cc3)C	367
+[nH]1cc(Cl)c2c(N=C=S)cccc12	1695
+O=S(=O)(Nc1ccc2c(c(C(=O)C)c[nH]2)c1)c3ccccc3	69
+[nH]1cc(c2cc(N)ccc12)C(=O)C	0
+c1cc(ccc1C2CCC(=O)NC2)C(=O)NCCc3ccc4c(c(C#N)c[nH]4)c3	14
+[nH]1c2ncc(-c3cnccc3)cc2c(C(O)c4cccc([N+]([O-])=O)c4)c1	1235
+c1ccccc1CN(Cc2ccccc2)c3c(c(C(O)c4c[nH]c5c4cc(-c6cnccc6)cn5)c(cc3)F)F	1235
+c1cc(ccc1CCO)-n2ccc3cccnc23	4520
+c1ccccc1S(=O)(=O)n2c3c(cccn3)cc2	276
+c1cc(ccc1CCCn2ccnn2)OCc3ccccc3	10415
+c1cc(ccc1Cl)Oc2ccc(C(CC)(O)Cn3cncn3)c(Cl)c2	10416
+n1ccnn1CCOc2cc3cc4ncc(c(Nc5c(cc(c(c5)OC)Cl)Cl)c4cc3cc2OC)C#N	10417
+c1ccccc1-c2nnc(CCC(NNC3=NC(=O)c4nc[nH]c4N3CCCCC)=O)o2	355
+c12c(ncnc1nc[nH]2)NC(C)c3cc4c(c(Cl)ccc4)nc3-c5nnc(C)s5	516
+n1c(-c2ncccc2)c(cc3ccsc13)C(C)Nc4c5[nH]cnc5ncn4	516
+c1cc(ccc1NC(=O)c2c(cn[nH]2)[N+](=O)[O-])F	187
+Nc1c(n[nH]c1)C(=O)OC	209
+c1c(cc(-n2nc(C)cc2)c(c1)Br)Br	926
+Fc1cccc(F)c1-n2ccc(n2)C	901
+n1cc(cc(-n2nc(C)cc2)c1)F	10418
+Nc1c(F)cc(cc1)-n2nc(C)cc2	568
+c1c(C)nc(Cn2ccc(NC(C)=O)n2)cc1	10419
+n1n(ccc1[N+]([O-])=O)-c2ccc(c(C)c2)C	901
+c1([N+]([O-])=O)ccn(-c2cc(c(cc2)Br)OC)n1	568
+c1cc(ccc1C#N)Cn2nc(cc2)[N+](=O)[O-]	309
+c1cc(ccc1)C(CNC(CC)=O)Nc2cncc(-c3ccc4c(c3)c(F)[nH]n4)c2	1806
+c1cc(ccc1[N+]([O-])=O)Cn2ncc3cnc(SC)nc23	10420
+c1c(cc2nn[nH]c2c1)CO	98
+c1c(C)c(c(cc1OCOC)C)-c2cccc(c2C)COc3cc-4c(cc3)C(c5ccccc-45)=O	57
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3CCc4nncn4-c5c3cccc5	448
+Nc1cc(-c2[nH]ccn2)ccc1C	0
+c1(-c2n(Cc3nc4ccccn4c3CCC)ccn2)cc(ccc1)C#N	2238
+c1(nn2c(-c3c(Cl)cc(OC)cc3)cccc2c1N)CC	209
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(c2)I)-c3cc(F)ccc3	8
+c1(cccc(Cl)c1)-c2cc(cc(-c3cccc(Cl)c3)c2O)C(=O)NCC4(CC4)COCCCCc5ccccc5	241
+c1cc(ccc1O)CCNc2nc(-c3cccc(CN4CCNCC4C(O)=O)c3)ccn2	96
+c1c(Nc2c(C(O)=O)c(-c3ccccc3F)cnc2)c(F)cc(I)c1	1
+c1cc(ccc1)COC(NCC2CN(CC2)c3c4cc(ccc4nc(-c5ccccc5O)n3)F)=O	54
+c1ccccc1NC(=O)c2cccc(-c3ccnc4n3ncc4C(c5sccc5)=O)c2	67
+c1c(N)cc(-c2ccnc3n2ncc3C(=O)c4sccc4)cc1	0
+c1(-c2ccnc3n2ncc3C(=O)c4sccc4)cc(C(=O)O)ccc1	1
+c1(-c2cn(CCc3ccccc3Cl)cn2)nccc(C#N)c1	274
+C(O)c1ccnc(-c2cn(Cc3ccccc3Cl)cn2)c1	49
+Nc1cc(-c2cn3nc(ccc3n2)Cl)ccc1C	0
+c1(-c2cnccc2)nc(Oc3cccc(C#N)c3)c(cn1)C(=O)O	6
+c1(-c2cnccc2)nc(Oc3cccc(C#N)c3)c(cn1)C(=O)OCC	185
+c1c(N)cc(-c2csc(n2)-c3cncnc3N)cc1	0
+c1(ccnc(-c2nc(C)cs2)c1)C=O	39
+c1(-c2nc(C)cs2)nccc(CO)c1	98
+c1ccccc1CNc2c(C#N)c(-c3ccc4OCOc4c3)nc(N)n2	10421
+c1(-c2nc3c([nH]2)ncc(N)c3)c(Cl)ccc(NC(=O)c4occc4)c1	13
+c1(-c2nc3c([nH]2)ncc(c3)Br)c(Cl)ccc(N)c1	0
+c1c(N)cc(-c2nccc(OC)c2)cc1	0
+c1(c(-c2ncccc2)cc(c(c1N)F)Br)I	0
+c1(cc(CO)c[nH]1)-c2ncccc2	351
+Nc1c[nH]nc1-c2ncccc2	209
+c1(-c2nnnn2C)cc(ccc1)N	0
+c1cc(ccc1)OC(=O)Nc2cc(-c3n(nnn3)C)ccc2	90
+c1cc(ccc1CC(C)(C)C(N2CCCC(CNC(=O)Nc3cc(-c4n(nnn4)C)ccc3)C2)=O)F	10
+c1(-c2noc(n2)C)ccc(C)c(NC(=O)c3n4c(nc3)ccc(Br)c4)c1	466
+n1c(cnn1Cc2nc(co2)COC)NC(=O)c3c(-c4cc(C)ccc4)oc(n3)C	10422
+c1ccccc1-c2c(c(F)ccc2)C#N	11
+s1c(Br)c(C(Nc2c(cc([N+]([O-])=O)cc2)O)=O)cc1C	10423
+c1(Br)c(C)c(C(=O)O)no1	6
+C=1C(=O)N(c2c(cnc(n2)SC)C=1)Cc3ccccc3Br	10424
+c1cc(ccc1Oc2ccc(cc2)CN(Cc3c(cccc3)Br)c4c(c(ccc4)[N+]([O-])=O)C)CCC(OC)=O	507
+C1CN(CCN1Cc2c(cccc2)Br)c3ccc(cc3)C(OCC)=O	131
+O(C(=O)CCc1cncn1Cc2ccccc2Br)C	10425
+c1cc(ccc1)COc2nc(c(Cl)cc2)Br	430
+c1cc(ccc1)-c2cccc(N)c2C#N	11
+c12c(Cl)nccc1c(Br)ccc2	174
+c1c(C)oc(c1)CNc2ccc3c(Br)cccc3n2	554
+c1c(Br)cc(cc1N)Br	0
+c1c(Br)cc(cc1OCc2ccc(cc2)OC)Br	1118
+c12c(CCN(C1=O)c3cc(cc(Br)c3COC(C)=O)F)n4c(CCCC4)c2	1464
+c1(Br)cc(cc(Br)c1)[N+](=O)[O-]	480
+CC(C)c1c(OC)cc(c(Oc2c(Br)cc(cc2Br)CC(OC)=O)c1)C(c3cc(C)ccc3)=O	222
+[nH]1c(CCCCCCC(OC)=O)nc2cc(ccc12)Br	791
+Cc1cccc(C)c1-c2cccc(C(=O)OC)c2C	11
+c1(cc(cc(C)c1-c2cccc(c2C)C(OC)=O)OCOC)C	11
+C(O)c1c(cccc1Br)OC	49
+c1c(CO)c(c(Br)cc1)C	49
+c1cc(ccc1Oc2ncc(Br)s2)O	4960
+c1cc(ccc1Nc2ccc(cn2)-c3n(CC)ccn3)Cl	4795
+COc1cc2c(C)coc2cc1	10426
+c1(C(=O)C)c(ccc(OC)c1)OCC(=O)O	4
+c1(cccc(OCc2cc(c(cc2)Cl)Cl)c1)C(=O)COc3c(ccc(C#N)c3)F	702
+Oc1c(cccc1)N(C(c2cc(c(cc2)Cl)Br)=O)C	5
+c1cc(ccc1)CCN2CCc3c(ccc(Oc4ncc(C(N)=O)cc4)c3)CC2	28
+c1(c2ccc(cc2sc1CC)Oc3c4c(ncc3)cc(C(=O)N5CC(CC5)OC)s4)C(NC)=O	680
+Cn1c2ccccc2c(CNC)c1	3143
+c1ccccc1COC(=O)NCC2CCCC(C2)NC(c3c(onc3-c4c(cncc4)F)C)=O	5006
+c1cc(ccc1CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O)[N+]([O-])=O	259
+c1ccccc1COc2ccc(Cl)cc2Cn3cc(NC(c4c(Cl)cccc4F)=O)cn3	1404
+c1(c(F)c(c(c(F)c1F)F)OC(=O)c2[nH]c(c(c2)Br)C)F	852
+O=Cc1cc(C(=O)O)cc(C)c1	39
+C(C(Oc1cc(cc(Oc2cc3c(cc2)C(N(CO3)C)=O)c1)C(=O)O)C)OC	46
+c1cc(ccc1CNC(c2c[nH]c(c2)-c3n[nH]c4c3cccn4)=O)Cl	56
+c1ccccc1CNC(c2cnc3[nH]ccc3c2)=O	56
+c1cccc2c1Sc3ccccc3C(N2)=O	67
+c1cc(ccc1CCC(=O)OC)S(C)(=O)=NC(=O)c2cnc(N)c(C#Cc3cccc(c3)NC(=O)c4occc4C)c2	3144
+C1CC2N(c3c(cc(CO)cn3)NC2=O)CC1	382
+Nc1sc(C(=O)OC)c(CO)n1	88
+C(c1ccc(CO)nc1Cl)(=O)OC	398
+c1ccccc1COc2ccc(cc2)-c3nc(cc(C(=O)OC)c3N)Br	119
+Nc1cc(OCCOC)c(cc1Cl)C(=O)O	1
+c1cc(ccc1C2(O)CN(CC2)CCCOc3cc(OC)c(cc3C(=O)OC)Cl)Cl	28
+c1cc(c(C(Nc2cc(C(=O)O)ccc2)=O)cc1)C	1
+c1cc(ccc1CN2Cc3c(ccc(Cl)n3)C2=O)OC	10427
+c1(C(=O)OC)ccc(Cl)nc1CCl	174
+C1CCC(C(C1)C)Nc2c(cc(C(=O)OC)cc2)NC(=O)Cc3cncs3	33
+c1c(c(OC)c(Br)cc1)CO	98
+C(=O)(O)c1[nH]c(C)c(Cl)c1Cl	6
+c1cc(Br)c(c(C(=O)O)c1OC)Cl	6
+O=S(=O)(c1ccccc1)Nc2c(c3c(CCCC3)s2)C(=O)OCC	10428
+c1ccccc1COc2ccc(cc2-c3c(-c4cccc(n4)C(=O)OCC)cccc3)Cl	119
+c1cc(ccc1)COc2c(C=3CCCCC=3c4nc(ccc4)C(=O)OCC)cc(Cl)cc2	3061
+c1c(nn(-c2c(Cl)cccc2)c1Sc3ccc(C)cn3)C=O	1406
+c1(C(C(N)CO)C)[nH]cnc1	95
+c1(ncccc1Cl)C(CO)C	44
+c1cc(ccc1C2CC2C(NC(c3cc4CCOc4cc3)C)=O)Cl	9
+c1c(N)cc(C(C)N)cc1	0
+c1ccccc1C(Cc2ccc(cc2)OCC(O)c3nc(NC)ccc3)CC(OCC)=O	1791
+C1N(CCc2c(c(C)sc12)CCBr)C(=O)C	5007
+c1cc(ccc1Cl)CCNC(=O)c2cc(c(cc2)Cl)[N+]([O-])=O	93
+c1ccccc1C(C)(C)NC(=O)c2cc(Cl)c(cc2)F	93
+c1cc(ccc1C#N)NC(c2ccc(OC)cc2[N+]([O-])=O)=O	50
+C(c1ccc(O)c([N+]([O-])=O)c1)(N2CCOc3ccccc23)=O	448
+o1nc(C)nc1C(C)NC(=O)c2cc(cc(-c3ccc(C)cn3)c2)-c4occn4	14
+c1(C(NC(C)=O)CCO)cccc(F)c1	44
+c1(cccc(F)c1)C(CC=O)NC(C)=O	24
+CCC(=O)CNC(c1ccc(C)nc1Cl)=O	86
+c1c(C(NCC)=O)cccc1C(=O)O	1
+c1(C(NCc2cc3c([nH]c(C(=O)OC)c3)nc2)=O)c(C)ccc(N)c1	0
+c1c(c(O)ccc1)C(Nc2cc(ccc2)F)=O	173
+c1cc(C(C#CC(OC)=O)=O)cc2c1OCO2	3145
+O(C)c1ccccc1Nc2c(c(C(=O)O)ccc2)C(O)=O	1
+O=C(c1c(c(Nc2ccc3OCOc3c2)ccc1)C(O)=O)O	1
+c1cc(c(Cn2c3c(c(C(OC)=O)ccc3)c(C=COC)c2)cc1Cl)OCc4c(F)cc(Cl)cc4	5008
+C1(C(CCNC1)NC(c2cc(Cl)c(C)[nH]2)=O)OCC	215
+c1cc(ccc1C(=O)OC)-n2c(C)nc3c2cccc3	5009
+c1ccccc1C(C)n2c3ccccc3c(C(OCC)=O)c2C	10429
+c1(C=O)cc(c(cc1)-n2cc(nc2)C)OCC	431
+c1c(ncn1-c2cc(Cl)ncn2)C	10430
+c1cc(ccc1C(OC)=O)-c2c(ccc(c2)N)C	11
+c1(cc(c(C)cc1)Br)C=O	39
+c1cc(ccc1-c2cn3cc(c(cc3n2)C)Br)N(C)C	440
+c1(C)c(C#N)ncc(c1)C=O	200
+Cc1nccc(C)c1CO	351
+c1(C)n(nc(C)c1CC(=O)NCc2ccc(cc2Cl)F)CC(=O)OCC	9
+c1cc(ccc1OC)C(c2cccc(C)c2F)=O	705
+c1(C)cc(N)c([N+]([O-])=O)cc1F	106
+c1(I)ccc(C)cc1C(=O)N2C(C)CCCC(COc3ccc(c(C)c3)F)C2	30
+c1ccccc1Oc2c(cc(cc2)[N+](=O)[O-])C	46
+c1cc(ccc1Cl)-c2c(cnc(F)c2)C	1164
+c1(C)c(N)cc(CCO)c(Cl)c1	44
+n12cc([N+]([O-])=O)cc(C)c1nnc2C	757
+c1(C)cc(-c2cnccc2)ncc1N	13
+Oc1c(cccc1)NC(c2ccc(C)c(Br)c2)=O	67
+c1cc(ccc1Br)Oc2cc(c([N+]([O-])=O)cc2C)C	415
+c1(C)c(Br)cc(cc1)CO	217
+c1ccc2c(sc(n2)N3NC(c4cc(Br)c(C)cc4)=CC3=O)c1	1916
+c1(c(N)ccc(OCC)c1)C	0
+C(c1cccc(C=CC(c2cc(C)c(cc2)O)=O)c1)(=O)O	307
+c1cc(ccc1Oc2c(C)cccc2)-c3cccnc3N	754
+C(CCC)(c1c(c2c(nc1)c(C)ccc2)O)=O	3523
+c1(C)c(n(C)nc1)-c2cc(C(=O)O)sc2Cl	1
+c1ccc(c2cc[nH]c12)-c3cc4c(c[nH]n4)c(NC(c5n(C)ncc5C)=O)c3	187
+c1(C)c(n(C)nc1)C(=O)O	1
+c1(C)c(ncc(N)c1)C(OCC)=O	13
+c1(C)c(CO)sc(Br)c1	59
+O=Cc1c(Br)cc(C)c(OCC)c1	39
+c1(C)cc(Br)c(CO)cc1OCC	49
+c1(ncc(cc1[N+]([O-])=O)Cc2cnccc2)NCCCc3ncc(cc3C)Br	70
+c1cc(ccc1-c2nc(nc(N3CCN(c4ncc(cc4C)Br)CC3C)c2)N5C(C)CCC5)F	54
+c1(ccc(C(=O)NCc2ccc(C#N)cc2O)cc1C)F	14
+c1(cc(cnc1N2C(COC)CCC2)-c3onc(-c4cc(ccc4OC)F)n3)C	1828
+c1cc(c(C)cc1C2CO2)[N+]([O-])=O	3146
+c1(C)cc(C(CCC(=O)O)O)ccc1F	4
+c1(C)cc(c(CN)c(OC)n1)C	388
+c1(C)nc(cc(C=O)c1)CC	39
+c1(C)cc(Cl)c(cc1F)C(=O)O	1
+c1ccccc1CNc2cc(nc(N)n2)C	40
+c12CN(CCc1nccc2)c3cc(C)c(c(n3)N4CCC(F)C4)[N+]([O-])=O	43
+c1(C)cccc(C)c1-c2cc(C)c(cn2)[N+](=O)[O-]	140
+c1(c(N)cc(C)c(F)c1)N	0
+c1cnccc1-c2c3c(OCC3)c(cc2C)N	498
+c1cc(ccn1)-c2c3CC(Oc3c(cc2C)N)C	498
+c1cc(ccn1)-c2c(cc(c3c2CC(O3)COC)N)C	498
+c1(C)c(F)ccc(c1)NC(c2cccn2C)=O	187
+Nc1cc(C)c(nc1)CCCCN	51
+c1cc(ccc1F)CN2CCN(c3cc(C)c(C(OCC)=O)s3)C2=O	1083
+Clc1cccc(Cl)c1C(=O)Nc2c(cnc(Nc3cc(C)nc(C)n3)c2)[N+]([O-])=O	50
+CC(Nc1c2CCCC(c2c(c(F)c1)C)=O)=O	214
+Nc1c(N)c(c([N+]([O-])=O)c(C)c1)C	0
+c1(C)cc(c(N)cc1F)Br	0
+c1(cc(cc(C)c1)-c2nc(cnc2-c3cc(C)cc(c3)C)Cl)C	2903
+c1(C)cc(cc(C)c1)C(c2cc(C)cc(C)c2)N3C=CC=C(C3=O)C(=O)O	127
+c1c(C)cc(cc1Nc2c(c(C#N)ccc2)[N+](=O)[O-])C	275
+Cc1cc(cc(C)c1)Nc2c(C#N)c(SC)nc(SCC)n2	73
+c1(C)cc(cc(C)c1)Nc2nc(ccn2)-c3c(-c4ccccc4)sc(n3)N	1359
+c1(C)cc(cc(C)c1)NC(c2cccnc2SCc3ccnc(F)c3)=O	246
+C(C)CC(c1c(cc(C)cc1C)O)=O	4443
+C(c1c(C)cc(C)cc1O)C=C	423
+Cc1cc(cc(C)c1-c2cccc(C(O)=O)c2C)OCC3COC(C)(C)O3	1
+c1(C)cc(cc(C)c1-n2c3nc(C)cc(NCCNCCc4ccc(c(OC)c4)OCC)c3nc2)C	284
+c1(C)cc(cc(C)c1-n2c3nc(C)cc(NCCCl)c3nc2)C	15
+c1cc(ccc1)COc2cc(C)c(c(C)c2)CC(CC=C)C(=O)N3C(Cc4ccccc4)COC3=O	10431
+Cc1cc(cc(C)c1Cn2c(C(O)=O)cc3c2cc(C#N)cc3)C	1
+c1(C)cc(cc(C)c1NC(OCC)=O)CNc2cccc(c2)F	208
+c1(C)cc(cc(C)c1O)-c2oc3c(n2)c(OCCC)nc(Cc4ccc(cc4)Cl)n3	5
+Cc1cc(cc(C)c1OC)N	0
+c1c(C)c(c(cc1-c2nc(O)c3c(OC)cc(OC)cc3n2)C)OCC(=O)NCc4ccccc4	9
+c1c(C)c(c(cc1N)C)Oc2cc3c([nH]nc3cc2)CC(C)C	0
+c1c(C)c(c(cc1C#N)C)Oc2nc(Nc3ccc(cc3)C#N)nc4ccn(C)c24	744
+c1c(C)nc(cc1-c2nc3cc(cc(F)c3c(O)n2)F)C	748
+c1cc(ccc1)CN2C(CCCC(COc3cc(C)c(F)cc3)C2)C	126
+c1(C)cc(N)cnc1CCCC#N	13
+c1(C)cc(nc(Cl)n1)C#N	331
+c1(C)nc(Cl)nc(CO)c1	398
+c1(nc(Cl)nc(C)c1)C(=O)O	1
+c1(C)c(N)cnc(c1)C(OCC)=O	13
+c1cc(ccc1-c2ccccc2)C(N(C(=O)CN3C(=O)Oc4c3cc(c(C)c4)OC)C)CN5CCOCC5	10
+c1nc2c(cc(c(C)c2)O)s1	5
+c1(C)cc2c(scn2)cc1OC	3101
+c1cc(ccc1C#N)-c2cc(C)cc(n2)-n3c(C)ccc3C	119
+c1(C)ccc(Cl)c(Oc2c(c(F)cc(c2)Br)Cl)c1F	46
+c1(Oc2c(Cl)ccc(C)c2F)cc(cc(Br)c1)C#N	46
+c1c(C)c(c(cc1)C)-c2cc(COc3cc4cc[nH]c4cc3)ccc2	657
+c1cc(ccc1)Nc2c(N)ncc(-c3c(C)cccc3C)n2	10432
+c1ccccc1Nc2cccc(c2)-c3ncn(-c4c(C)cccc4C)c3	1370
+c1(C)cccc(C)c1CNc2cc(C(N)=O)cn3c(C)c(nc23)C	2951
+c1(C)cccc(C)c1CNc2c3nc(CO)c(n3ccc2)C	874
+c1(cccc(C)c1COc2cccc(c2)C#N)C	20
+c1cc(ccc1Nc2nc(Cl)nc3n(C=Cc4c(C)cccc4C)cnc23)P(C)(C)=O	914
+CC(C)c1onc(c1COC)COc2c(C)cccc2C	1043
+c1cc(ccc1OCc2c(C(C)C)onc2COc3c(C)cccc3C)-c4cc5cnc(C(OC)=O)cc5cc4	10433
+c1(C)cccc(Sc2ccc(cc2N)C)c1	0
+c1(n(CC(O)=O)nc(C)c1CC(=O)NCc2ccc(cc2Cl)F)C	3
+c1(C)n(nc(C)n1)-c2c(C)nn3c2oc(C)c3-c4c(cc(cc4)OC)C	10434
+c1(C)n(nc(C)n1)-c2c(C)nn3c2oc(C)c3-c4c(C)cc(O)cc4	5
+c12c(cccc1)C(=O)N(C2=O)OCC#Cc3cccc(-c4nc(C)cc(c4)OC)n3	10435
+c1(C)nc(Cl)cc(CO)c1	49
+c1(C)cc(nc(Cl)n1)C=O	178
+c1(C)nc(OC)ccc1N2CCCn3c4c(c(Cl)ccc4CO)nc23	295
+c1(C)nc(OC)ccc1N2CCCn3c2nc4c(Cl)ccc(C=O)c34	200
+c1(C)cc(CO)cc(n1)CC	49
+c1(C)nc(nc(C)c1)N2CCC3(CC2)CCCC(=O)N3Cc4c5c([nH]cc5)ccc4	5010
+c1(C)nc(on1)-c2cc(c(C)cc2)O	241
+c12c(COc3cc(-c4nc(C)no4)ccc3C)nn(C)c1ncnc2Cl	951
+c1(C)nc2c(NCc3c(C)cccc3CC)cc(C(=O)O)cc2n1C	6
+c1(C)nc2c(NCc3c(C)cccc3CC)cc(cc2n1C)Br	10436
+c1ccccc1C(NC(Cc2cc(NC(c3c(ccnc3C)C)=O)c(O)cc2)=O)c4c(cc(Cl)cc4)C	246
+c1c[nH]c2ccc(cc12)-c3c(C)sc(n3)NC(=O)Cc4ccc5OCOc5c4	1452
+c12ccccc1[nH]cc2C3C(CNC3)c4c5cccc6CCCn(c4)c56	15
+c1ccc2c(c1)[nH]cc2C=3C(N(C)C(=O)C=3c4cn(c5ccccc45)C)=O	10437
+C1CC(CCC1c2c(F)cc(cc2)Br)CCC	191
+c1cc(ccc1C#N)C(NNC(=O)C(C(C)O)Nc2ccc(c(Cl)c2C=C)C#N)=O	708
+CCc1c(n(C)nc1)-c2c(C)sc(c2)C(=O)OC	10438
+c1(ccc(cc1[N+]([O-])=O)-c2ccc(cc2C)C(=O)OC)CC	1393
+c1c2c(c(n(C)c2ccc1)CN(C)C(=O)C=Cc3cc4OCC(Nc4nc3)=O)C	404
+c1ccccc1C(c2ccccc2)N(CCN(CCCCNC(C=Cc3cnccc3)=O)C)C	711
+c1c(C=CC(N(Cc2n(c3c(cccc3)c2)C)C)=O)cccn1	404
+C(c1c2c(nn(C)c2C)ccc1CCC(OC)=O)(=O)OC	159
+c1(C=CC(Nc2cc(C=CC(O)=O)ccc2)=O)ccc3c(OCO3)c1	127
+CCCCCCOc1c(cc(cc1)CC[N+]([O-])=O)OCCCCCC	364
+c1(C(OC)=O)cccc2n(Cc3c(ccc(Cl)c3)OCc4c(F)cc(Cl)cc4)cc(C=O)c12	190
+C(OC)=Cc1c2c(ccc1OC)cccc2	10439
+c1c(C)c(ccc1CO)O	41
+c1(C=O)cc(Cl)c(cc1)CNc2ncccc2	10440
+c1cc(ccc1Cl)C(c2ccc(c(c2)Cl)F)O	257
+c1(Cl)c(ccc(CO)c1)-c2cc(ccc2)C#N	41
+c1(I)cc(ccc1)C=C	443
+C(c1ncccc1)(O)c2cc(OCC)c(cc2)[N+]([O-])=O	3059
+c1cc(cc(OCCC)c1OC)CO	41
+O(CC)C(C=Cc1cc(OCCCOC)c(cc1)O)=O	530
+c1(C=O)cc(OCCCOC)c(cc1)O	5
+c1cc(cc(Oc2cccc(C#N)c2)c1OC)CO	41
+c1(cc(c(F)cc1)O)C=O	5
+c1(C=O)cc(OC)c(cc1)-n2cnc(C)n2	2267
+c1(C=O)cc(c(F)cc1)OC=C	10441
+c1(c(F)cccc1)COc2ccc(C=O)cc2OC	22
+c1cc(ccc1O)C(C=Cc2ccc(O)c(c2)OC)=O	307
+c1(C=O)cc(c(cc1)OCc2ccc(nc2)OC)OCC	751
+Cc1c(COc2cc(ccc2OC)CO)nc(-c3occc3)o1	41
+c1c(c(Cl)cc(c1)CO)OCC=C	41
+Cc1c(COc2ccc(cc2OC)CO)nc(C=CC(OCC)=O)o1	41
+Cc1c(COc2ccc(cc2OC)CO)nc(-c3cc(ccc3)C#N)o1	41
+c1(cccc(C)c1-c2cc(ccc2)C=O)C	11
+C(C=Cc1cc(ccc1)Br)COC	5011
+c1cc(ccc1Cl)C(c2cccc(c2)Br)O	257
+c1cc(ccc1N=Cc2cc(Br)ccc2)C(OCC)=O	457
+c1cnccc1-c2ccnc3c2cc(cc3)C=O	10442
+c1cc(ccc1)C2C(N=C3NC(=O)C(=Cc4cc5c(OCC)c(cnc5cc4)C#N)S3)C2	10443
+[N-]=[N+]=NC1c2c(CCC1)cc(C=O)cc2	841
+c12cc(ccc1c3c(c(N)n2)nccc3)C=C	443
+c1cc(ccc1Cn2ncc3ccc(C=O)cc23)OC	3919
+OC(c1cc(OCC)c(cc1)OC)c2cc3c(n(C)nn3)cc2	257
+c12c(ccc(c1)C=C3SC(=NC3=O)NCc4ccc(cc4Cl)F)nc(NC)nc2OCC	3587
+c1c(Cl)c(c(cc1)Cl)N=C2NC(C(=Cc3ccc4nc(C)oc4c3)S2)=O	10444
+c1cc(ccc1)-c2ncnc3ccc(cc23)C=O	198
+c1c(OC)c(c(cc1)OC)C2N(C(=O)C(C2)C)Cc3ccc4sc(C)nc4c3	1737
+C(C=Cc1ccc(-n2ncnc2)c(F)c1)=O	10445
+S(c1ccc(CO)cc1F)C	41
+c1(CC)c(ccc(CO)c1)Br	41
+c1c(CC)c(ccc1O)OC	1437
+n1cc(-c2cc(F)c(cc2)C#N)oc1	2288
+OP(O)(=O)Cc1cc(C=O)ccc1O	228
+N(Cc1ccc2nc(SC)sc2c1)c3c(cc(C)cc3)[N+]([O-])=O	208
+c1(NCc2ccc3nc(SC)sc3c2)c(ccc(c1)Br)[N+]([O-])=O	208
+c1cc(ccc1)C(c2ccc3c(c2)cco3)O	704
+c1c(cc(C(O)c2cccc(F)c2)c(F)c1OC)C#N	1641
+c1c(cc(CO)cc1)OC(C)C(OC)=O	41
+C(Oc1cccc(CO)c1)CCCl	41
+c1ccccc1C(OCCOc2cc(C=O)ccc2)=O	10446
+O=S(C)CCOc1cccc(CO)c1	41
+CC=Cc1cccc(OCOC)c1	2053
+c1cc(ccc1)C(C(NCc2cc(ccc2)[N+](=O)[O-])C)F	42
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOC(C(C(=O)C)=Cc4cc([N+](=O)[O-])ccc4)=O	2395
+c1ccccc1C2(CCN(CC2)CCOCCOC(=O)C(C(C)=O)=Cc3cc([N+]([O-])=O)ccc3)c4ccccc4	2395
+c1cc(ccc1NCc2cc(ccc2)OC3CCCCO3)OCCN4CCCC4	208
+c1cc(ccc1-c2cc(nc3cc(ccc23)Cn4cc(C=O)cn4)C#N)F	309
+O=S(=O)(n1ccc2c(c(cnc12)C=O)Cl)c3ccc(cc3)C	276
+C(c1cc2ccc(cc2cc1)OC)CN	51
+c1ccccc1C(c2ccccc2)OC(C3=C(c4cnc(NC(=O)C)s4)CSC5C(C(=O)N35)NC(Cc6sccc6)=O)=O	952
+c1(c(CCO)cc(c(F)c1)F)OC	21
+c1cc(ccc1CC(C(=O)NC(CC2=CCCC2)C(=O)C3(CO3)C)NC(=O)C(NC(=O)Cc4sc(N)nc4)C)OC	207
+OC(Cc1c(cccc1)-n2nnnc2)=O	3
+C1Cc2ccc(Br)cc2CC(c3ccc(c(c13)C)OC)=O	214
+c1c(nccc1-c2cc(Cl)c(C=3C(N(C)c4c(C=3)cnc(Cl)n4)=O)cc2)C(=O)NC	10447
+CCc1ccnc(N)c1Br	2005
+C(c1cc2c(CCC2=O)[nH]1)(=O)OC	10448
+O(C(c1ccc(Cn2c(c(nc2CCCC)Br)C=O)c(F)c1F)=O)C	371
+c1ccc2cc3c(cc2c1)cc(cc3)Cn4c(CCCC)nc(Cl)c4C=O	371
+c1ccc(CNCCc2ccccn2)cc1CCOC3OCCCC3	42
+c1cc(C)n(c1C)-c2cc(C)cc(n2)CCc3cc(cc(C#N)c3)NCCc4ccccn4	250
+c1cc(ccc1C(=O)NCCc2ccccn2)OCCCCCCCCCCCCCC	93
+c1cc(ccc1[N+](=O)[O-])NCCc2ccccn2	60
+C1c2scc(C)c2C(C)=NC1	10449
+C(=O)Cc1ccc([N+]([O-])=O)cc1Cl	24
+c1(CCN)cc(C)cs1	157
+c1ccnc(N2CCC(F)C2)c1COc3c(c(ccc3)O)C=O	751
+n1n(Cc2occ(n2)COC)ncc1[N+](=O)[O-]	10450
+Fc1cccc(F)c1N2c3nc(NCc4ncc[nH]4)nc(-c5c(ccc(C(NCc6ccccc6)=O)c5)C)c3C=CC2=O	306
+Cc1onc(c1CNc2ccc(cn2)C(=O)OC)CCCC	70
+c1[nH]c2ncccc2c1CNc3c(ncc(Br)n3)N	941
+c1c(C(NCc2cccs2)=O)[nH]c3c1cc(cc3Cl)Br	81
+c1cc(ccc1C(=O)NCc2sccc2)Cl	93
+c1cnccc1SCCCNCc2cccs2	1130
+c1(cc(cc(F)c1C(=O)c2c[nH]c(c2)C(NCc3nnc(C)s3)=O)F)F	2406
+c1cc(ccc1-n2cncc2)S(=O)(=O)NCC3CN(c4cc(cc(OC)c4)Br)CCN3Cc5ccc(OC)c(OC)c5	71
+c1cc(ccc1Cl)C2(O)CN(Cc3cc(ccc3)OC)CC2	251
+c1(CN2CC(CC2)=O)cc(ccc1)OC	86
+c12ccccc1c3c(cccc3)nc2CN	18
+c1cc(ccc1Cl)-c2c(cncc2)CO	835
+c1(C=O)c(NC)cc(Cl)nc1	200
+c1(c(NC)nc(Cl)nc1)C=O	1195
+c1(c(NC)nc(SC)nc1)C=O	1195
+c1(cc(C)ccc1C=O)OC(CC=C)C	39
+c1(CO)cccc(-c2nc(C(Nc3c(cnc(C(O)=O)c3C)C)=O)c(cc2)C)c1	6
+c1cc(ccc1)CCCC(C(NC(C)c2nnc(Cc3cc(OC)c(OC)cc3)nc2O)=O)(C(C)=O)C	4901
+c1cc(ccc1)CCCC(C(O)C)C(NC(CC)c2nnc(Cc3ccc(OC)c(OC)c3)nc2O)=O	9
+c1(Cc2ccc(c(c2)OC)OC)nnc(c(O)n1)C(C)NC(C(CCCC=C)C(=O)C)=O	2299
+c1(nc(C)c2n1N=C(NC2=O)Cc3ccc(c(OC)c3)OC)C(C(=O)C)CCCC=C	5012
+c1cc(ccc1NC(=O)c2cc(c(nc2)Cl)Br)OC(F)(F)Cl	246
+c1cc(ccc1OC(F)(F)C)NC(=O)c2cc(c(nc2)Cl)Br	246
+c1cc(ccc1Cl)-c2cc(cnc2Cl)C(OC)=O	89
+c1(N)cc(c(Cl)nc1)Br	13
+C(C1CC1c2ncc(OC)cc2)Oc3nc(C)ncc3Br	145
+c1(cc2c(c(Cl)c1Cl)scc2)O	5
+c1cc(ccc1C=O)-c2c(Cl)cc(cn2)C(=O)NCC	140
+Clc1c(F)c(c(c(Cl)c1F)F)S(=O)(=O)Nc2cc(O)c(OC)cc2	69
+Nc1c(Cl)cc(cc1[N+]([O-])=O)O	106
+c1ccccc1CN2CCC(CC2)Oc3c(Cl)nccc3	1346
+C(c1c(cc(Cl)c(OC)c1N)Cl)(O)=O	1
+c1(cc(F)c(C)nc1)C(=O)OC	1372
+c1(Cl)c(cc(c(Cl)c1N)CN)F	162
+c1ccccc1COc2ccc(cc2Cl)C(=O)O	139
+c1cc(ccc1CCNC(c2cc([N+]([O-])=O)c(Oc3c(cc(CC(OC)=O)cc3)Cl)cc2)=O)Cl	415
+c1cc(ccn1)CCNCc2cc(-c3nc(NCCc4ccc(c(c4)Cl)O)ncc3)ccc2	96
+c1(C=O)cc(Cl)c(cc1)-c2cc(ccc2)C(=O)N	39
+c1(cc(ccc1O)Nc2ncnc3cccc(F)c23)Cl	73
+c1ccccc1COc2ccc(N)cc2Cl	139
+c1c(Oc2nc(nc(Cl)c2)SC)c(Cl)cc(OC)c1	185
+c1cc(ccc1C=O)CSc2cc(c(cc2)O)Cl	1128
+c1(Cl)c(ccc(S)c1)O	1180
+c1(nc2cc(F)c(F)cc2[nH]1)-c3c(Cl)nccc3	4860
+c1(c(nccc1)Nc2cc([N+]([O-])=O)ccc2)C(=O)O	201
+c1(Cl)c2c(c(C(=O)O)cn1)n(C)cc2	1
+c1(cc2c(c(Cl)ncc2)[nH]1)C=O	178
+c1cc(ccc1)CN2C=C(Cl)C=C(Br)C2=O	10451
+c1cc(ccc1Cl)Nc2c(cc(Br)cn2)Cl	201
+Cc1nc2c(OC)c(C(=O)OC)cc(Cl)c2[nH]1	791
+c1(Cl)cc(C(=O)OC)c(OC)c(N)c1NC(C)=O	0
+c1(Cl)cc(CO)c(OC)cc1O	98
+N(c1c(cc(c(n1)-c2cc(ccc2)F)C(OC)=O)Cl)Cc3cc(OC)c(cc3)OC	70
+C1(c2ccccc2C(=O)N1CCCOc3c(Cl)cc(cc3)C4=NNC(CC4)=O)=O	8
+Nc1cc(Cl)cnc1Br	13
+c1c(c(c(c(F)c1Cl)F)N)N	0
+Clc1c2c(C(CCC2)O)nc(C)c1	10452
+c1(Cl)cc(c(Br)s1)C=O	2873
+c1(Cl)cc(C(C)O)c(OC)c(c1Cl)I	74
+c1(Cl)cc(c(cc1O)F)CCCl	165
+C1CCCCC1(NS(=O)(=O)c2ccc(cc2)C)C(c3cc(Cl)cc(c3)Cl)O	71
+c1c(Cl)cc(cc1CCN)Cl	51
+c1c(Cl)cc(cc1C(c2c(CC)c(nc(OC)n2)OC)C#N)Cl	10453
+c1(cc(cc(Cl)c1-n2nc3c(c2)c(Nc4ncnc(c4)C)ncc3F)N)Cl	0
+Clc1cc(cc(Cl)c1Br)Nc2nc(OC)nn2Cc3ccc(cc3)OC	10454
+c1c(Cl)c(c(cc1C(NCCC)=O)Cl)C(c2c3c(c(NC(C)=O)ncc3)[nH]c2)=O	787
+c1(Cl)cc(cc(Cl)c1CO)[N+](=O)[O-]	1146
+c1cc(ccc1)COc2cc(Cl)c(c(Cl)c2)CO	41
+Clc1cc(cc(Cl)c1C=O)[N+](=O)[O-]	39
+c1(cc(cc(Cl)c1Oc2cc(c(O)cc2)C(NCCCCCCCCC)=O)[N+](=O)[O-])Cl	5
+Clc1cc(cc(Cl)c1Sc2cc3ccccc3cc2)N	0
+Clc1cc(cc(Cl)c1Sc2nc3c(ccc(C#N)c3)s2)N	0
+c1cc(ccc1C(C)Nc2nc(Cl)cc(c2)C(C)=O)F	70
+c1cc(ccc1)S(=O)(=O)n2cc(c3cc(cnc23)Cl)C=O	276
+c1(-c2c(cc3ncoc3c2)Cl)cnc(cc1)NC(c4c(cccc4)Cl)=O	330
+c1cc(ccc1O)C(c2ccc(cc2)OCCCl)=C(c3ccc4c(cc(Cl)o4)c3)CC	1051
+N(Cc1n(nc(C)c1)C)c2c(Cl)ccc(c2)O	729
+c1(cc(cc(F)c1C#Cc2ccc(c(NNC(OC)=O)c2)Cl)F)F	455
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4cc5C(=O)C=C(Oc5cc4)C(OCC)=O	1411
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4ccc5c(cc(C(=O)OC)cc5)c4	1411
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4cc5c(c(ccn5)C(=O)OC)cc4	1411
+c1c(Cl)c(c(cc1)Cl)-c2c(c(on2)C(C)C)COc3cc4ccc(cc4cc3)-c5ccc(C(OC)=O)cn5	1411
+c1(Cl)cccc(Cl)c1-c2noc(c2COc3ccc(cc3)-c4ccc5c(c4)ccc(C(O)=O)n5)C6CCCC6	1
+Clc1cccc(Cl)c1C(=O)NC(Cc2ccc(cc2)OCCCCl)C(O)=O	4
+Clc1cccc(Cl)c1C(=O)NC(Cc2ccc(cc2)C3CCN(CC3)S(=O)(=O)C)C(O)=O	4
+c1c(Cl)c(c(cc1)Cl)CC=O	24
+c1cc(ccc1OCc2c(CCc3c(cccc3Cl)Cl)noc2C(C)C)-c4cc5c(cccc5C(=O)OC)cc4	20
+c1cc(ccc1OCc2c(CCc3c(cccc3Cl)Cl)noc2C(C)C)-c4ccc5c(cc(C(=O)OC)cc5)c4	20
+c1(Cl)cccc(Cl)c1COc2cc(-c3cc4c(cc3)[nH]c(C(O)=O)c4)cnc2N	6
+c1(Cl)cccc(Cl)c1COc2c(N)nccc2	161
+c1cc(ccc1N)Oc2cc(C)ncc2	242
+c1cc(ccc1C(=O)Cc2cc(Cl)ccn2)OC	1501
+c1cc(ccc1Cc2noc(c2)-c3ccc(N)nc3N)OCc4nccc(c4)Cl	412
+Clc1ccnc(CNc2nc3c(o2)c(cc(c3)C(=O)OC)OC)c1	1527
+c1ccn(c1)-c2ccnc(CO)c2	10455
+c1cc(ccc1)N2N3CCCC3=C(C2=O)C(=O)Nc4ccc(Oc5cc(C(N)=O)ncc5)cn4	5013
+c1ccccc1N2N(C(=C(C2=O)C(Nc3cc(c(Oc4ccnc(c4)C(N)=O)cc3Cl)F)=O)C)C	242
+c1ccccc1N2N(C(=C(C(Nc3ncc(Oc4cc(C(N)=O)ncc4)cc3)=O)C2=O)C)C	5013
+c1(c(Cl)cnc(Cl)c1)Nc2c(C(NC)=O)cccc2F	2272
+c1(ncc(c(Nc2c(cccc2)C(=O)NC)c1)Cl)Cl	2272
+c1(C=O)cc2c(cc1)ncc(Cl)n2	760
+c1ccccc1-c2c(c(Cl)cnc2)N3CC(C3)c4nc5cc(C)ccc5[nH]4	10456
+Clc1csc(c1)-c2nc(ccc2)C	10457
+c1ccccc1N2C(=O)c3c(C=C2C(Nc4c(I)cnc(Cl)n4)C)cccc3-c5cn(nc5)C	2596
+n1c(F)nc2c([nH]cn2)c1NCc3cnccc3	516
+c12nc[nH]c1nc(Cl)nc2NCc3cc(OC)c(cc3)OC	516
+c1cc(ccc1Cl)Nc2c3[nH]cnc3nc(Cl)n2	1185
+c1cc(ccc1)Oc2cc(cnc2Nc3nc4c(nccc4)s3)Br	10458
+c1c(C=Cc2cc(ccc2)Nc3c(cccn3)[N+]([O-])=O)cccn1	201
+c1c(cccc1I)Nc2c([N+]([O-])=O)cccn2	201
+c1c(cccc1C=C)Nc2c([N+]([O-])=O)cccn2	201
+c1ccccc1Nc2ncccc2[N+]([O-])=O	201
+c1ccccc1Oc2c(cccn2)[N+]([O-])=O	136
+c1cc(ccc1C(=O)C(OCC)=O)Nc2c(cccn2)[N+]([O-])=O	201
+c1cc(ccc1Nc2c(cccn2)[N+]([O-])=O)Cl	201
+c1ccccc1CN2CCC(CC2)Nc3c([N+](=O)[O-])cccn3	70
+c1(cccnc1Nc2cc(ccc2)C=Cc3cncc(Br)c3)[N+]([O-])=O	201
+c1nc(ncc1)N2CCC(CC2)Oc3c(C)c(Cl)ncn3	145
+c1cc(ccn1)Sc2sc(NC(=O)C)nc2	10459
+c12ncccc1sc(n2)Oc3cc4sc(C(=O)OC)cc4cc3	10460
+c1cc(ccc1)-c2cc(C(=O)OC)c(cc2F)OC	11
+c1cc(ccc1)CSc2c(cc(N)c(c2)C=CC(=O)OCC)F	607
+c1(F)c(Br)cc(C=O)c(N)c1	0
+c1(F)c(Br)cc2N3C(c4c(cc(cc4)F)Oc2c1)C(N)CCC3	10461
+c1(CO)c(F)cc(cc1O)Br	49
+c1(F)c(Cl)ccnc1CO	174
+Fc1c(F)c(c(c(F)c1)F)CC(Nc2ccnc(O)c2-c3[nH]c4cc5c(c(c4n3)C)CN(C5=O)CCN(C)C)C	1598
+C(O)c1ccc(F)c(F)c1C	49
+c1cc(ccc1)COc2c(cc(c(F)c2)F)[N+]([O-])=O	22
+c1(OC)cc(C(=O)Nc2c(c(ccc2F)O)F)cc(-c3cc(F)ccc3)c1	67
+c1(cc(c(c(c1)C(=O)Nc2c(c(ccc2F)O)F)C)C)-c3cc(F)ccc3	67
+c1(cc(ccc1)F)-c2cc(C(Nc3c(F)ccc(O)c3F)=O)c(C)c(F)c2	67
+c1(cc(C)c(OC)c(c1)C(=O)Nc2c(c(ccc2F)O)F)-c3cc(F)ccc3	67
+C1CC(c2c(F)c(cc(F)c12)Br)=O	214
+c1c(c(F)cc(C=O)c1N)Br	0
+c1c(ccc(Oc2cc(N)c(cc2Br)[N+]([O-])=O)c1F)F	46
+C1CC(CCN1c2ncc(cn2)CC)n3c4cc(F)c(Br)cc4cc3	3705
+c1(c(cccc1)-n2c3cccc(N)c3cn2)F	2993
+c1cc(ccc1C)-c2ccccc2F	2111
+c1(F)c2Cc3c(ccc(C=CC)c3F)-c2ccc1	2576
+c1(F)c2Cc3c(ccc(CCC)c3F)-c2ccc1	374
+[nH]1c2c(c(NC(c3nccnc3)=O)c1)c(F)c(cn2)Br	1285
+c1(F)c2c(N)c[nH]c2ncc1Br	13
+c1(F)c2c(N)c[nH]c2ncc1Cl	13
+c1(F)c2c(N)c[nH]c2ncc1OCC	13
+c1(c(cc(F)c2c1cccc2)C(O)=O)O	5
+c1(F)cc(c(cc1C)C(NCc2c(cc(cc2)Br)F)=O)OCC(=O)O	3
+Fc1cc(c(cc1C)C(NCc2c(cc(cc2)Br)F)=O)O	5
+c1(cc(cc(F)c1)Nc2c(C(OC)=O)cccn2)F	3147
+c1(F)cc(cc(F)c1)N2C(c3cc(cc4C(=O)C=C(N5CCOCC5)Oc34)C(O)=O)CCC2	1
+c1c(F)cc(cc1Oc2cc(OC(C)COC)cc(c2)C#N)F	304
+c1cc(ccc1Oc2cc(F)cc(c2)F)O	5
+c1(F)cc(cc(F)c1)Oc2ccc(cc2)OC(C)CO	44
+c1(F)cc(cc(F)c1-c2cnccc2)N3CC(CN)OC3=O	18
+Fc1cc(cc(F)c1-c2scc(n2)C(O)=O)OC	1
+c1(F)cc(cc(F)c1C2=CCN(CC2)C(=O)C3OC(C)(C)OC3)N4CC(CO)OC4=O	59
+c1(F)cc(cc(F)c1F)NC(Nc2cc(ccc2)Nc3ccc4c(c3)NC(=O)C4=Cc5ccc[nH]5)=O	292
+c1c(c(F)cc(I)c1)Nc2c([N+](=O)[O-])c(F)cc(c2)F	275
+c1(cc(cc(F)c1[N+](=O)[O-])N(c2cc3oc(c(C(NC)=O)c3cc2C4CC4)-c5ccc(cc5)F)S(=O)(=O)C)F	3058
+Nc1cc(cc(c1C(=O)O)F)Br	0
+c1(F)cccc(F)c1-c2c3OC(Cc3ccc2)CN	18
+c1(F)cccc(F)c1-c2cccc3CC(COS(=O)(=O)c4ccc(cc4)C)Oc23	36
+c1cc(ccc1-c2c3c(O)nccc3n(-c4c(F)cccc4F)n2)N5CCOCC5	104
+Fc1cccc(F)c1C(=O)C(C(OCC)=O)=[N+]=NS(=O)(=O)c2ccc(cc2)NC(=O)C	10462
+c1c(F)c(c(cc1)F)C(Nc2ccn(n2)Cc3ccc(cc3OCc4ccccc4)Cl)=O	309
+c1ccccc1COc2ccc(c(c2)C)Cn3ccc(NC(c4c(cccc4F)F)=O)n3	309
+c1ccccc1COc2ccc(c(c2)Cn3ccc(NC(c4c(cccc4F)F)=O)n3)Cl	309
+c1ccccc1COc2cc(c(Cn3nc(NC(c4c(cccc4F)F)=O)cc3)cc2)Cl	309
+c1(F)cccc(F)c1N2C(=O)C=Cc3c(-c4cc(C(NCc5ccccc5)=O)ccc4C)nc(nc23)SC	14
+c1cc(ccc1COc2c(cc(Br)cc2)CN3CCC(CC3)(CNC(Nc4c(cccc4F)F)=O)O)Cl	282
+c1(cccc(F)c1Oc2ccc(cc2)[N+]([O-])=O)F	46
+c1ccccc1COc2cccc(F)c2[N+](=O)[O-]	57
+c1(c(F)c(C(O)=O)c(cc1)Cl)OCc2c(F)cccc2	22
+c1(F)cccc(F)c1NC(c2oc(cc2)Cc3cc(ccc3OCc4c(F)cccc4)Cl)=O	22
+c1cc(cc(-c2nc(-c3ncoc3)n(n2)Cc4c(F)cccc4)n1)Br	4022
+C=1(C(N(C=C(C=1)Cc2ccc(cc2F)F)Cc3c(F)cccc3)=O)I	10463
+c1cc(ccc1OCc2c(F)cccc2)-c3cccc(C(OC)=O)n3	22
+c1cc(ccc1CO)CCN2C=CC(=CC2=O)OCc3c(F)cccc3	3776
+c1cc(ccc1N2CCn3c(cc(OCc4c(cccc4)F)n3)C2=O)F	10464
+c1cc(ccc1OCc2c(F)cccc2)CSCCC(=O)OCC	22
+c1(c(c(Cl)ccn1)C#Cc2cnc(cc2)N)CC	2281
+c1(I)cc(c(OC)cc1F)O	173
+c1(C(=O)O)cc(Cl)c(c(I)c1)OC	1
+c1ccccc1C(CC)C(Nc2ccc(c(C(=O)N)c2)I)=O	26
+c1(I)c(cc(N)cc1)C(=O)N	0
+c1cc(ccc1)C#Cc2c(NC(C)=O)n[nH]c2C	1249
+c1ccccc1-c2c3c(cnc(Br)c3)n(n2)C4CCCCO4	1196
+Fc1cnc2c(c1I)c(C(=O)c3c(F)c([N+]([O-])=O)ccc3F)c[nH]2	3962
+c1cc(ccc1)Sc2c(cc(cc2)F)C(O)=O	826
+c1cc(ccc1-c2cc(ccc2)NC(Nc3cccc4CCC(O)Cc34)=O)C	134
+Oc1c(c(c2c(n1)nc[nH]2)N)-c3nc4c([nH]3)cccc4	10465
+CCCCn1cnc(c1N)C(=O)N	2840
+c1cc(C(Nc2c(C(=O)N)nc(s2)Nc3cc(F)ncc3)=O)cc([N+]([O-])=O)c1OCCOC	10466
+c1cc(ncc1Br)OCC(Nc2c(C(=O)OC)csc2)=O	4872
+c1cccc(CSc2ccc(F)cc2N)c1C(OC)=O	1128
+c1(N)c(ccc(O)c1C)C#N	4366
+c1cc(ccc1C)S(=O)(=O)Nc2cc(ccc2NC(C)CO)Br	69
+c1c(ccc2nc(-c3ccc(N)c(I)c3)sc12)O	5
+c1cc(ccc1COc2cc(Br)cc(Nc3cnccc3)c2)OC	2998
+c1cc(ccc1)COc2cc(Br)cc(Nc3cnccc3)c2	2998
+c1c(cc2c(n[nH]c2c1)C(Nc3cccnc3)=O)Br	510
+c1cc(ccc1COc2ccc(C=O)cc2C(=O)Nc3cnccc3)F	487
+c1cc(ccc1)OC(=O)Nc2cnccc2	950
+n1c(Cl)c([N+]([O-])=O)c(nc1)Nc2ccnc(Cl)c2	73
+c1cc(Br)nc(c1[N+]([O-])=O)Nc2ccnc(Cl)c2	1759
+c1ccccc1CC(=O)Nc2cc(O)ncc2	26
+c1c(cn[nH]1)N2C(=O)c3c(cc(cc3C)-c4cnc(OC)c(OC)c4)C2	10467
+c1cc(ccc1)OC(=O)Nc2ccc(nc2)-n3nnnc3	950
+C(C)OC(c1cnc(c(C)c1)Nc2ccc(C)nc2)=O	1970
+c1ccccc1-c2ccc(cn2)N	119
+c1cc(ccc1)OC(=O)Nc2ccc(C#N)nc2	950
+N(c1cnc(cc1)C(OC)=O)C(=O)C2CCCN(c3nc(c4ncsc4n3)Nc5ccc(OC)c(c5)OC)C2	469
+c1(ncc(c(n1)CCc2ccccc2C(C(=O)N)C)Cl)Nc3cnncc3	949
+c1cc(cc(c1OC)C(c2c(N)nc(cc2)Cl)=O)F	3060
+c1cc(ccc1F)C(c2c(N)nc(cc2)Cl)=O	10468
+c1ccccc1Nc2cc3c(sc(c3C)-c4nc(N)ncc4)cc2	3099
+c1cc(ccc1C#N)Nc2ncc(c(NCCC)n2)C(OCC)=O	490
+O=S(=O)(c1ccc(cc1)Nc2nc(c(F)cn2)-c3cnc(n3C)C)C	490
+C(C#C)N1C(NC(N(C1=O)c2c(Cl)cc(F)c(c2)N)=O)=O	106
+c1(N2CC(CNC(C)=S)OC2=O)ccc(-c3scc(n3)Cn4ccnc4)c(F)c1	199
+c1cc(ccc1-c2c(cc(N3C(=O)OC(COc4nocc4)C3)cc2)F)CO	134
+c1ccccc1Cn2nnc(c2)-c3c(cc(cc3)N4CC(OC4=O)Cn5nnc(c5)C)F	2352
+c1(N2CCOCC2C)nc(Cl)nc(CO)c1	398
+c1(cc(N2CCOCC2C)nc(n1)Cl)C(=O)O	1
+c1cc(ccc1OCc2csc(NC(=O)C)n2)CCCCn3ccnn3	2088
+c1(c(cc(N2C(=O)C=CC=C2)cc1)C(=O)O)NC(=O)CCNC(c3sc(cc3)Cl)=O	1
+Nc1c(C(=O)C)cc(c(c1)OC)CC	106
+Nc1ccc(c(CC)c1F)Cl	106
+Nc1c(C(=O)OC)cc(c(Cl)c1)[N+]([O-])=O	106
+c1cc2c(c(c(C(=O)C)c(O)n2)O)cc1I	10469
+c1(NC2CCCOC2)c(N)cnc3ccsc13	13
+c1cc(ccc1Oc2c(c(c(cn2)[N+]([O-])=O)NCC)Br)F	136
+c1c(N)c(NCc2ccc3c(oc(SC)n3)c2)cc(Cl)c1Br	0
+c1c(cc(NCc2ccc3nc(SC)sc3c2)c(N)c1)Br	0
+c1c(cc(NCc2cncc(F)c2)c(N)c1)Br	0
+n1c(C(O)=O)c2c(cc(cc2)Nc3ccccc3C(OC)=O)n1C4CCCCO4	1
+c1(Nc2ccnc(n2)Nc3cccc(C(=O)O)c3)c(Cl)ccc4OCOc14	55
+c1cc(ccc1)COc2cc(F)c(F)cc2CCO	22
+Nc1c(O)c(Cl)cc(F)c1N2N=NN(CCCF)C2=O	0
+c12c(Cl)ccc(C)c1CCCO2	20
+Clc1cc(C(=O)OC)c(cc1)OCCCBr	5014
+c1(O)c([N+]([O-])=O)cc(cc1O)C(CO)=O	10470
+Nc1c(O)c(Br)ncc1	0
+Nc1c(O)cc(F)cn1	161
+c1(CN2C(=O)C=C(C)C(Cl)=N2)cc(ccc1)C(=O)OC	10471
+c1ccccc1COc2c(c(O)cc(c2)C(=O)OC)Br	22
+c1cc(ccc1)C=CC(=O)Oc2c(cc([N+]([O-])=O)cc2)[N+](=O)[O-]	5015
+Oc1cccc(O)c1N	0
+c1cc(ccc1)COc2nc(ccc2[N+]([O-])=O)Cl	1424
+c1(CN2N=C(Cl)C=CC2=O)cc(ccc1)C(=O)OC	10472
+c1(OC(C(OCC)=O)CCC=Cc2c(ccc(c2)OC)O)c(cccc1)OC	858
+c1ccccc1CC(C(O)C(O)=O)NC(=O)c2cc(cc(c2C)OC(C)=O)C	93
+c1cc(cc(c1OC)-c2cc([N+]([O-])=O)ccc2)CCN3C=CC=CC3=O	562
+c1(OC)c(OC)c(cc2nc(CO)ccc12)OC	453
+c1(OC)c(OC)nc(cc1)CN	421
+c1c(c(cnc1-c2cc(cnc2)C)-c3nccs3)C(=O)NCc4ccc(OC)c(OC)n4	14
+c1cc(c(c(F)c1F)COc2cc(N)c(Cl)cc2OC)OC	0
+C(Nc1c(c(ccc1C)O)C)c2cc(OC)cc(-c3cc(F)ccc3)c2	162
+C(Nc1c(c(ccc1F)O)F)c2cc(OC)cc(-c3cc(F)ccc3)c2	162
+c1(OC)cc(F)cc(CO)c1	49
+c1cc(N)c(Nc2c(C)cc(OC)cc2)cc1	0
+c1(OC)cc(CCN)cc(Br)c1	51
+O=Cc1cc(OC)cc([N+]([O-])=O)c1	39
+c1(-c2cc(F)ccc2)cc(cc(I)c1)O	5
+c12c(c(ncn1)Nc3cc([N+]([O-])=O)cc(OC)c3)scc2	10473
+c1cc(ccc1)CNCCn2nc(-c3cc(cc(F)c3)OC)c4c(N)ncnc24	10474
+c1(OC)cc(C(=O)O)cc(-c2cc(F)ccc2)c1	1
+c1ccccc1-c2cc(cc(OC)c2)C(OC)=O	11
+c1ccccc1COC(NC2C(OC)CN(c3cc(cc(C(=O)OC)c3)OC)CC2)=O	79
+c1c(OC)c(ccc1CNCC(Nc2cc(Br)cc(c2)OC)=O)OC	402
+COc1cc(cc(OC)c1)C#Cc2cnc(nc2)Nc3ccc(N4CCC(CC4)N5CCN(CC5)C)c(OC)c3	1472
+C1(CN(CC(C)N1C)c2ccc(cc2)C(Nc3cc(OCc4cc(OC)cc(OC)c4)[nH]n3)=O)C	4435
+O(C)c1cc(cc(OC)c1)NC(=O)c2c(F)cccc2F	50
+O(C)c1cc(cc(OC)c1)NCCNCc2ccccc2	1350
+c1(cc(cc(OC)c1)N2CC(CNS(=O)(=O)c3ccc(cc3)NS(=O)(=O)CC)N(Cc4ccccc4)CC2)OC	71
+O(c1cc(cc(OC)c1)OC2C(=O)N3CCCc4c(C23c5ccccc5)cccc4)C	10475
+O(c1cc(cc(OC)c1)OC2C3(N(CC(=O)N(CCC)c4c3cc(Cl)cc4)C2=O)c5ccccc5)C	5016
+c1cc(ccc1)CN2C(CN3C(C(Oc4cc(OC)cc(c4)OC)C3(c5cc(ccc25)Cl)c6ccccc6)=O)=O	5016
+c1ccccc1Cc2c(cc(cc2OC)Br)OC	394
+C(Oc1c(OC)cc(C)c(c1OC)C(=O)c2c(OC)ccc(Cl)c2C)(=O)CC	358
+c1c(OC)c(c(cc1CCO)OC)OCc2ccccc2	95
+COc1cc(cc(OC)n1)CCC(OC)=O	159
+O(C)c1cc(cc(OC)n1)C=O	39
+c1(OC)cc(CO)cc([N+]([O-])=O)c1	49
+Oc1c(ccc(C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O)c1)O	5
+c12c(c(cn1C)-c3cc4c(ncc(c4)Cl)[nH]3)cc(c(OC)c2)OC	10476
+c1(c(ccc(-c2cc(c(OC)cc2)F)c1)C(=O)O)[N+]([O-])=O	1
+c1(OC)ccc(C(NCCn2nnc(C(O)=O)c2)=O)c(c1OC)OC	1
+c1cc(ccc1C(C#N)NC(=O)c2nnn(c2)CCNC(c3c(c(c(cc3)OC)OC)OC)=O)Br	312
+O=Cc1cc(C)c(cc1OC)OC	2224
+c12cccc(c1CNC2=O)OC	1598
+COc1nc(nc(OC)n1)Oc2cccc(c2C(O)=O)Cl	426
+c1c2n3c(c(C(O)=O)cn3)c(OCC)nc2ccc1	6
+c1(nc(Br)cc(OCC)c1)C	174
+c1(c(OCC2Oc3ccccc3OC2)c4ccccc4cc1)C(O)=O	1
+c1cc(ccc1)NCCCCCCCCOc2cccc3ccccc23	1350
+c12c(cccc1)C(=O)N(C2=O)CCCCCCCCOc3cccc4ccccc34	851
+c1c(CO)c(c(OCCOC)cc1)OC	98
+c1cc(ccc1S(=O)(=O)N2CCOCC2)C=Cc3ccc(c(OCOC)c3)OCOC	722
+Clc1c(ccc(Cl)c1)Oc2c(N)ccc(c2)Cl	0
+c1(Oc2cccnc2)cc(cc(N)c1)F	0
+c1(Oc2cnc(cc2)N)cc(C)cc(NC(c3cc(nn3C)C)=O)c1	161
+CC(C)COc1cc(Br)cc(Sc2c(cc(OCC(=O)OCC)c(C)c2)C)c1	1336
+c1cc(cc([N+]([O-])=O)c1SC)C(Nc2cnc(cc2)-c3ccccc3F)=O	487
+c1(nc(N2CCc3c(C2)cnc(SC)n3)ccc1)C(=O)OC	323
+n1ccc(O)nc1Nc2cccc(-c3csc(n3)C)c2	1334
+c12c(C)csc1cc(Cl)c(F)c2	3148
+O(c1nc2c(nc1OC)cc(Cl)c(Cl)c2N)C	13
+c1(Cl)c(c(N)c(c(c1)Cl)C(=O)OC)OC	0
+O=S(=O)(C)c1cc(cc([N+](=O)[O-])c1)N	0
+c1c([N+]([O-])=O)c(C)ccc1C(C)O	74
+c1(-c2cn3nc(ccc3n2)Cl)cc([N+]([O-])=O)c(C)cc1	1749
+c1cc(cc([N+]([O-])=O)c1N)C2=CC(=O)c3ccc(c(c3O2)OC)OC	106
+c1(cc(C#N)cc([N+]([O-])=O)c1O)C(=C)C	5
+c1([N+]([O-])=O)c(cccc1)-c2cc(O)ccc2	5
+O=Cc1cccc2[nH]c(-c3c([N+]([O-])=O)cccc3)nc12	200
+Nc1ccc(Cl)c(Br)c1	0
+c1([N+]([O-])=O)ccc(Cl)c(-c2ncccc2)c1	4728
+c1(N)cc(C#N)ccc1NCC=C	0
+c1(N)cc(C(=O)O)ccc1NCC	0
+c1(N)cc(C(=O)O)ccc1NCCCC	0
+c1(N)cc(C(=O)O)ccc1NCCOC	0
+n1c2n(cc(Br)c1)cc(-c3c(Cl)ccc([N+]([O-])=O)c3)n2	10477
+c1(C)c(N)cc(c([N+]([O-])=O)c1)F	106
+c1ccccc1COc2ccc(cc2Cl)[N+](=O)[O-]	57
+c1ccccc1[Si](c2ccccc2)(OCC3=CC=CN(C3=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)(C)C	10478
+c1c(Oc2cccc3sncc23)c(Cl)cc([N+]([O-])=O)c1	46
+c1c(Oc2cc(cnc2)C(=O)OC)c(Cl)cc([N+]([O-])=O)c1	551
+c1cc(ccc1)-c2c(Cl)cc(cc2)[N+]([O-])=O	134
+O=C1N(CCO1)c2ccc([N+]([O-])=O)cc2Cl	10479
+C(O)c1ccc([N+]([O-])=O)cc1Cl	49
+c1cc(c(cc1)Sc2cc([N+]([O-])=O)ccc2C(=O)O)N	825
+c1(CCO)ccc([N+]([O-])=O)cc1Cl	21
+c1([N+]([O-])=O)cc(Cl)c(cc1)CC(=O)O	4
+c1c2c(-c3ccnc(n3)Nc4cc([N+]([O-])=O)c(cc4OC)F)c[nH]c2ccc1	55
+[N+](c1cc(c(OC)cc1F)Nc2nc(ccn2)-c3cn(C)c4ccccc34)([O-])=O	55
+Cc1c(nc(nc1)Nc2cc([N+]([O-])=O)c(cc2OC)F)-c3c4ccccc4n(C)c3	55
+n1ccc(-c2cnn3ccccc23)nc1Nc4c(OC)cc(c([N+]([O-])=O)c4)F	55
+n1ccc(-c2cnn3c2CCCC3)nc1Nc4c(OC)cc(c([N+]([O-])=O)c4)F	55
+O(c1cc(N)c(cc1CC)F)C(=O)OC	0
+Nc1cc(OCC=C)c(cc1)C#N	0
+c1cc(ccc1F)C2CCc3c(NCCNCCOc4c(ccc(c4)[N+]([O-])=O)C#N)nc(nc23)Cl	132
+c1(C(NCc2cc3c([nH]c(C(=O)OC)c3)nc2)=O)c(C)ccc([N+]([O-])=O)c1	14
+c1nc(ncc1NC(c2cc(ccc2C)[N+]([O-])=O)=O)N	4861
+C(O)c1c(Cl)ccc([N+]([O-])=O)c1	49
+c1cc(ccc1N)Nc2ccc([N+]([O-])=O)cc2C(=O)O	1370
+C(Cc1c(Cl)cc(F)c(N)c1)(OCC)=O	0
+C1CC1(Oc2cc([N+](=O)[O-])c(cc2Cl)F)C(=O)OCC	5017
+c1(cc([N+]([O-])=O)ccc1C(CCl)O)Br	74
+c1cc(ccc1C#N)CCOc2cc([N+]([O-])=O)ccc2	20
+c1ccc([N+]([O-])=O)cc1OCC2CO2	10480
+c1ccccc1OCCCCCOc2cccc([N+]([O-])=O)c2	8
+c1([N+]([O-])=O)cc(C(=O)O)ccc1NC	1
+c1(N)cc(ccc1NCCCl)C(=O)OC	0
+c1ccccc1C(Oc2c([N+](=O)[O-])cc(cc2)C(=O)C)CC	4214
+Nc1cc-2c(OCc3n-2cc(C(=O)OC)n3)cc1	0
+Nc1cc2OCCNC(c2cc1)=O	0
+Nc1cc2c(cc1)nc(o2)C	0
+c1cc(ccc1)COc2c([N+]([O-])=O)cc3c(CCC4C5C(C)(C(CC5)=O)CCC34)c2	22
+c1([N+]([O-])=O)cc2c(cc1F)ncnc2Nc3cccc(C#C)c3	73
+c1([N+]([O-])=O)cc2c(cc1F)ncnc2Nc3cc(c(cc3)OCc4cccc(F)c4)Cl	73
+c1cc(ccc1Nc2ncnc3cc(c([N+]([O-])=O)cc23)F)Oc4ccccc4	73
+c1(N)cnc(-n2nnnc2)cc1	13
+c1([N+]([O-])=O)ccc(c(CCO)c1)Br	95
+c1ccccc1C=2CCN(CC=2)CCC#Cc3ccc(cn3)[N+]([O-])=O	769
+Nc1ccc(Cl)c(-c2c(cncc2)F)c1	0
+Nc1ccc(Cl)c(-c2ncccc2)c1	0
+c1ccccc1CN2CCN(c3ccc([N+](=O)[O-])cn3)CC2=O	806
+Nc1cc(F)c(N2CC(N(CC2)CC)=O)cc1	0
+c1ccccc1COc2cc([N+]([O-])=O)ccc2NC(C)=O	22
+Nc1cc(c(cc1)O)F	0
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(=O)OC)s3	680
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ccc(CCN5CCCC5=O)cn4	680
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4cn(cn4)CCC	680
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4sccn4	680
+c1cc(ccc1F)-n2ncc3cc(ccc23)Oc4ncc([N+](=O)[O-])cc4	1708
+Nc1cc(c(cc1)C(=O)N)F	0
+O=Cc1ccc([N+]([O-])=O)cc1F	760
+c1([N+]([O-])=O)ccc(nc1)Oc2c3c(OCC(C3)C)ccc2	136
+c1cc(ccc1)-c2ccc(cn2)[N+](=O)[O-]	140
+c1cc(ccc1)C2CCc3c(ccc(Oc4ncc([N+](=O)[O-])cc4)c3)C2	136
+C1CN(CCN1Cc2ccccc2)c3ncc(cc3)[N+](=O)[O-]	43
+c1cc(ccc1Sc2ccc([N+](=O)[O-])cn2)CCC(=O)O	5018
+c1ccccc1C2CCc3c(O2)ccc(Oc4ncc([N+](=O)[O-])cc4)c3	136
+c1ccccc1CNc2ccc([N+](=O)[O-])cn2	70
+c1ccccc1Cc2c3ccccc3c(N4CCN(CC4)c5ccc([N+]([O-])=O)cn5)nn2	43
+n1c(OCC(OC)=O)ccc(N)c1	13
+n1c(Oc2c3c(OCC(C3)C)ccc2)ccc(N)c1	13
+Nc1cc2CN(C(c2cc1)=O)C	0
+Nc1cc2CC(N(c2cc1)C(CF)C)=O	0
+c1ccccc1N2C(=O)c3c(N=C2CCl)ccc([N+](=O)[O-])c3	2103
+C(NC)(=S)C1c2cc([N+]([O-])=O)ccc2OC(C)(C1O)COC	10481
+c1cc(ccc1C(C2C(N(c3c2cc(cc3)[N+](=O)[O-])C(C)=O)=O)=O)C	10482
+Nc1cc2c(Cl)nsc2cc1	0
+Nc1cc2c(cc1)nc(cc2C)Cl	0
+Nc1cc2c(cc1)[nH]c(c2)C(C)CO	0
+c1cc(ccc1)Sc2c(cc(cc2)Nc3c(C#N)cnc4c3cc(cc4)[N+](=O)[O-])Cl	179
+c1c(N)cc(C(O)CO)cc1	0
+c1(ccccc1Cl)-c2n3c4ccc(cc4nc(C)c3c(C)n2)OCc5cccc([N+]([O-])=O)c5	22
+O(Cc1cccc([N+]([O-])=O)c1)c2ccc(C(=O)C)c(c2)O	22
+c1cc(ccc1C(C)C)C(=O)c2cc(OCC#C)ccc2NCc3cc(ccc3)[N+](=O)[O-]	608
+c1c(N)cc(CCNC(C)=O)cc1	0
+c1cc(ccc1C(=O)c2n(C)c(cc2)Cc3cc(ccc3)[N+]([O-])=O)C	1873
+c1cc(ccc1F)NC(=O)c2c(Cl)cccc2[N+](=O)[O-]	67
+c1cc(ccc1C)-c2nc3cccc(c3nc2-c4ccc(cc4)C)[N+](=O)[O-]	3113
+c1(-c2c(Cl)cnn2C)cc(ccc1OC)NC(Nc3cc([N+]([O-])=O)ccc3)=O	124
+c1ccccc1Cc2c(nc3ccc(cc3c2)NC(Nc4cccc([N+](=O)[O-])c4)=O)Oc5c(C(=O)C)cc(cc5)F	124
+c1cc(ccc1COc2cccc([N+](=O)[O-])c2C(C)O)OC	139
+c1cnccc1CNC(N2CCCCC2COc3cccc(c3C#N)[N+](=O)[O-])=O	468
+c1c2c(CCCNCCOc3c(c([N+]([O-])=O)ccc3)N)c[nH]c2ccc1	284
+c1c(N)cc(-c2sc(nc2C(=O)OC)C)cc1	0
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+c1cc(ccc1Oc2c(N)cccc2)OCc3cccc([N+](=O)[O-])c3	139
+c1(c([N+]([O-])=O)cccc1O)C#N	5
+c1(ccc(cc1OC)-n2nc(cc2)N)Br	161
+c1cc(ccc1F)-c2cc(CNc3c(cnc4cccnc34)[N+](=O)[O-])on2	2347
+c1c(Cl)nc(c(C)c1)C(=O)OC	174
+c1(nc(Cl)ccc1)COC(C)=O	174
+c1cc(ccc1Cn2c(CCC(=O)O)c(c3cc(F)ccc23)C)-n4cncc4	962
+c1cc(ccc1-c2cc([nH]c2)C(OC)=O)Cl	550
+c1cnccc1CN2c3nc(N)nc(Cl)c3C(=Cc4[nH]cc(C(=O)O)c4)C2=O	2709
+C(=CC(OCC)=O)c1cc(c[nH]1)CCCC	10483
+c1cc(ccc1C)S(=O)(=O)n2cnc(C=O)c2	10484
+C(Nc1cc(ccc1)F)(=O)Cc2cc(Nc3ncnc4cc(OC)cc(OC)c34)n[nH]2	349
+c1(cc(n[nH]1)[N+]([O-])=O)C(Nc2cccc(c2)F)=O	187
+c12c(C(=O)N(C1=O)C(C)(C)Cn3nc(-c4cc(c(C#N)cc4)C)cc3)cccc2	2426
+c1(ccc(Cl)c(c1)CNC(C)=O)-c2nn(-c3ccc4c(CCCO4)c3)cc2	568
+c1ccc(Oc2cc(OC(c3[nH]nnn3)C)ccc2)c(N)c1	0
+c1cc(ccc1)C(=O)N(Cc2c(-c3cc(CC(OCC)=O)ccc3OC)ccc(-c4cnc(OCC)cc4)c2)CC	115
+c1cc(ccc1)CNC(=O)N(CC)Cc2c(ccc(-c3cnc(OCC)cc3)c2)-c4cc(CC(OCC)=O)ccc4OC	384
+c1ccccc1CN2Cc3ccnc(Nc4cc(-c5cc6ccccc6cn5)c(C)cc4)c3CC2	1759
+c1(c(-c2ccc(s2)Cl)nn(c1)C(C)CC)-c3cc(Cl)ncc3	174
+c1(c(nc(c(-c2ccncn2)c1)-c3occc3)N)C#Cc4cccc(c4)F	1240
+c1ccccc1C#Cc2c(nc(-c3ccco3)c(-c4ncncc4)c2)N	1240
+c1c(c(Br)c(C)cc1N)CC(OC)=O	0
+c1cc(ccc1C#N)OCCCCOc2ccc(c(c2Br)O)C(C)=O	8
+c1(c(N)cc(c(c1Cl)F)Br)F	0
+c1(c(Br)cccc1N2N=C(C(=O)O)C(=O)C(=C2)OC)F	4
+c1(CO)c(Br)ccnc1	269
+c1cc(ccc1CCCn2ccnc2)OCc3coc(-c4cc(C)c(s4)Br)n3	547
+c1(c(CN)c(O)nc(CC)c1)C	388
+c1(c(CN)c(O)nc(CCC)c1)C	388
+c1(c(CN)c(OC)nc(CO)c1)C	388
+c12c(C(=O)N(C1=O)Cc3cc(C)c(C#N)c(n3)OC)cccc2	2181
+c1(c(C#N)c(OC)nc(CO)c1)C	194
+S(C)c1c(c(N)ccc1)C#N	0
+c1cc(ccc1CN2C(=O)C(=C(C=N2)C)C#N)OC	10485
+c12ccc(Nc3nc(Cl)cc(c3C(=O)OC)C#N)cc1n[nH]c2	201
+Cc1cc(ccc1)Nc2nc(Cl)cc(c2C(=O)OC)C#N	201
+S(c1cc(ccc1)Nc2nc(Cl)cc(c2C(=O)OC)C#N)C	201
+c1cc(ccc1Cl)C(=O)c2cccc(C#N)c2C	222
+c1cc(ccc1)COC(N2CC(C(CC)C2)Nc3c(C(N)=O)cnn4cc(nc34)Br)=O	10486
+c1(nnc(o1)C)-c2cc(Br)cnc2N	2145
+c1ccccc1CC(NC(c2c(cccc2N)[N+](=O)[O-])=O)C(OC)=O	259
+c1cc(ccc1F)CNC(c2c(O)c(c(nc2)C)Br)=O	56
+c1c(C)c(C(Nc2ncc(Br)nc2)=O)cnc1	10487
+c1ccc(NC(c2occc2C)=O)cc1C#C	768
+c1ccccc1CNC(c2c(C)cco2)=O	1619
+c1(C(=O)C)c(c2n(cccc2)n1)-c3cc(F)ncc3	955
+C(CC)CCCCCCc1c(c(ccc1)F)F	414
+c1(cn[nH]c1-c2nc3c([nH]2)cccc3)C(OCC)=O	567
+c1(c(CO)cnc(Cl)c1C)NC	351
+c1(c(N)c(Cl)ncc1C(OCC)=O)NC	13
+Cc1c(c(c(cc1)C)Oc2cnnc(O)c2)C	3149
+c1(c(c(N)ccc1C)C)Cl	0
+c1(c(C)cc(C)cc1OC)-c2n3nc(CC)c(N)c3c(OC)cc2	209
+C(O)c1c(Cl)cc(c([N+]([O-])=O)c1)C	49
+c12n3c(C(NC3=O)Cc4c(C)cc(OC)cc4)nc1cccc2	10488
+C(C(C)[N+]([O-])=O)c1cc(ccc1C)F	3150
+c1cc(ccc1)CNC(=O)c2cnc(Cl)cc2-c3c(cccc3)C	4056
+c1(c(C)cnc(c1C)CO)Cl	629
+c1(c(C)cnc(C(=O)O)c1C)Cl	6
+c1cc(ccc1OCc2ccccc2)N(C)C(c3c(C)n(cc3)C)=O	3758
+N#Cc1c(c2c(nc1)c(Cl)cc(c2)NCc3ncn(C)c3C)Nc4cc(Cl)c(cc4)F	10489
+c1(c(C2=NC(C(N(C)c3ccc(N)cc23)=O)C)cccc1)F	0
+Nc1ncc(c(C)c1)C=CC(N(Cc2n(c3c(cccc3)c2)C)C)=O	404
+c1cc(ccc1)COC(Nc2ccc3c(c[nH]c3c2)C(c4c(cccc4)F)C[N+]([O-])=O)=O	10490
+c1(c(C=O)[nH]c(C(=O)O)c1)C	6
+C(Cc1c(CO)cccc1)CCCCCCC	41
+C(c1c([nH]cc1C)C)C(=O)O	2603
+c1cc(ccc1)COC(=O)Nc2c3c(c(CC(OCC)=O)c(c2)[N+]([O-])=O)cccc3	90
+c1ccccc1COc2ccccc2CC	139
+Nc1c(F)c(ccc1O)CCCl	10491
+c1(O)c(CCO)cc(F)c(F)c1	5
+CC(C)n1ncc2c(cc(-c3ccncc3)nc12)C(NCc4c(O)nc(CC)cc4C)=O	14
+c1cc(ccc1)C(c2ccccc2)C3C(CCN(Cc4c(OC)c(cc(Br)c4)Br)C3)=O	889
+c1cc(ccc1F)C(c2ccc(cc2)F)C3C(CCN(Cc4c(OC)c(cc(Br)c4)Br)C3)=O	889
+c1(c(C=O)cnc(Cl)c1C)NC	200
+c1(c(Cl)nc(Br)cc1[N+](=O)[O-])NC	174
+C(=O)(c1ccccc1NC(c2cc(c(cc2)OC)Cl)=O)O	1
+c1(cc2c(NC(=O)CC(c3ccnc(-c4onc(c4)C)c3)=N2)cc1Cl)N(C)CCOC	1222
+C(OC(=O)C)C1C(C(OC(=O)C)C(n2c(Br)nc3cc(c(Cl)cc23)Cl)C1)O	59
+Nc1cccc(Cl)c1I	0
+c1ccccc1CC(Nc2c(c(O)ncc2)-c3nc4c(C)cc(cc4[nH]3)Br)CO	105
+c1c(c(Cl)cnc1Nc2n(nc(C)c2)CC)Nc3c(C(NC)=O)cccc3F	346
+c1(c(Cl)nc(Br)cc1N)NC	0
+c1cc(ccc1CCO)Nc2nc(C)cc(C)c2[N+]([O-])=O	201
+c1(c(Cl)nc(SC)nc1)C=O	1195
+c1(c(Cl)ncc(CO)c1)C	382
+c1cc(ccc1OC)COc2cc(c(nc2)Cl)C	1900
+c1(c(Cl)ncc(O)c1)C	2156
+c1(c(Cl)ncc(C(=O)O)c1)C	1
+c1(c(Cl)ncc(N)c1)C	13
+c1(cc(CN2Cc3c(Cl)nccc3C2=O)cnc1-n4nccc4)C	3047
+c1cc(ccc1-c2c(Cl)nccn2)Cl	696
+c1cc(ccc1Oc2nccnc2Cl)C(=O)c3[nH]c4c(n3)cccc4	842
+O=Cc1c(F)c(c(O)cc1)F	5
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+c1(c(F)c(c(c(OC)c1)F)N2C(C3(CC3)c4cc(-c5c(N)cnn5CCOC)ncc4C2)=O)OC	209
+c1(c(F)c(c(c(OC)c1)F)N2Cc3cnc(CN)cc3C4(CC4)C2=O)OC	421
+c1c(c(c(cc1)F)F)C(c2c(cc(cc2)OC)OC)=O	705
+c1cc(ccc1OC)C(=O)c2cccc(F)c2F	705
+Nc1cnccc1Nc2cccc(c2F)F	13
+c1cc(ccc1Sc2c(c(ncn2)CC)F)Cl	1124
+c1(c2ccc(c(F)c2ccc1)O)C(=O)O	1
+CC(=O)Nc1cc(ccc1)Nc2c(cc(cc2)C(=O)O)[N+]([O-])=O	275
+c1ccccc1Nc2c([N+]([O-])=O)cc(C(=O)O)cc2	275
+c1cc(ccc1Br)NC(=O)c2ccc(F)c(c2)[N+](=O)[O-]	67
+c1cc(ccc1Oc2ccnc(-c3cc(C(OC)=O)sc3)c2)NC(Nc4cc(ccc4F)C)=O	124
+c1cc(ccc1S(=O)(=O)Nc2cc([N+]([O-])=O)c(cc2)F)NC(C)=O	69
+c1ccccc1C(Nc2ccc(F)c([N+]([O-])=O)c2)=O	50
+O=S(=O)(c1ccccc1)Nc2ccc(F)c(c2)[N+](=O)[O-]	69
+c1cc(ccc1Oc2ccccc2)NC(=O)Nc3ccc(c([N+]([O-])=O)c3)F	124
+c1(c(F)ccc([N+]([O-])=O)c1)-c2cc(CO)ccc2	49
+c1(c(F)ccc([N+]([O-])=O)c1)C(CC)(N)CCO	21
+n1ccn(-c2ccc(cc2[N+]([O-])=O)C3=C(C(NC3)=O)C)c1C	431
+c1ccccc1CN(Cc2ccccc2)C(C(=O)O)C(C3CC3)Oc4c([N+](=O)[O-])cc(cc4)F	57
+c1ccccc1Sc2ccc(F)cc2[N+](=O)[O-]	815
+c1cc(ccc1N(C(C)C)C(=O)CNc2c([N+](=O)[O-])cc(F)cc2)OC	2002
+c1ccccc1COC(NC2C(CN(c3ccc(F)cc3[N+]([O-])=O)CC2)F)=O	34
+c1cc2c(cccc2)nc1COc3cc([N+]([O-])=O)c(F)cc3	412
+c1cc(ccc1F)-n2c(C(N(OC)C)=O)cnc2SCc3c(F)c(ccc3F)F	10492
+c1cc(c(cc1)F)C(c2c(cccc2)F)Oc3c(C(=O)OC)cc(NC(Nc4ccc(c(OC)c4)OC)=O)cc3	124
+c1cnn(n1)-c2c(cccc2F)C(=O)O	10493
+c1(c(F)cccc1Cl)-c2nc3cc(ccc3o2)C(C)C(=O)O	4
+c1(Cl)c(F)nc(c(Cl)c1CO)F	41
+c1(c(ncc(c1)C(N=S(CCCCC(OC)=O)(C)=O)=O)N)C#Cc2cccc(NC(c3occc3C)=O)c2	2281
+c1cc(ccc1C(=O)Nc2c(ccc(c2N)Br)OC)C(C)C	67
+c1c(c(C)c(NC(c2c(ccc(c2)-c3cc(ccc3)F)F)=O)c(F)c1)O	67
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+CCOC(C1=CN(C2CC2F)c3c(C1=O)c(cc(F)c3C)[N+](=O)[O-])=O	480
+c1cc(ccc1-c2c(C(NC)=O)c3c(cc(N(C)S(=O)(=O)C)c(c3)C4CC(N(C4)C)C(Nc5c(F)cccc5O)=O)o2)F	33
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+c1ccccc1COc2cccc([N+](=O)[O-])c2N	22
+Clc1c([N+]([O-])=O)cc(c(NC(c2ccc(c(Cl)c2)Cl)=O)c1)O	50
+c1(F)cccc(F)c1C(=O)NC(=O)Nc2c(F)c(c(F)c(Br)c2)Cl	2462
+c1ccccc1COC(=O)Nc2ccc([N+](=O)[O-])cc2O	90
+c1cc(ccc1N2CCOC2=O)-c3ccc(n3-c4c(C)cc(C(N)=O)cc4)CCC(OCC)=O	2387
+c1ccccc1C#Cc2ccc(c(c2)C)N	129
+c1(c(N)ccc(Oc2ccc(cc2C#N)F)c1)C	46
+n1c2ccc(nc2ccc1)-c3c(Cl)ccc([N+]([O-])=O)c3	10494
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+c1cc(ccc1F)N2CCN(CC2)CCC(Nc3ccc(F)cc3[N+](=O)[O-])=O	3941
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+OP(O)(=O)CC(C)=CCc1c(c2C(OCc2c(c1OC)C)=O)O	1560
+c1(ccccc1Cl)Oc2cc(c(C(C)=O)cc2)Cl	46
+c1(Oc2c(O)cccc2)c(ccc(F)c1)[N+]([O-])=O	46
+c1(C(=O)O)c(O)nc2c(ccnc2)c1	1
+C(Br)CCCCCc1cccc(O)c1OC	5
+c1(C(=O)O)ccc(OCCCCCCc2c(c(OC)ccc2)OC)cc1O	1
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+C(CCc1c(OC)c2ccccc2c(c1)OC)CO	237
+c1c2ncnc(Sc3cccc(c3)N)c2cc(OC)c1OC	1124
+c1(c2cc(c(OC)cc2ncn1)OC)N3CCc4c(Br)cccc34	860
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+O(c1ncc(C(=O)O)cc1[N+](=O)[O-])C	1
+CCCCCCOc1ccc(C=O)cc1OCCCCCC	2224
+c1ccccc1NC(=O)c2cc([N+](=O)[O-])c([N+]([O-])=O)cc2	50
+COc1c(cc(cc1)C(=O)c2ccc(c(c2)OCC)OC)[N+](=O)[O-]	335
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+c1(c([N+]([O-])=O)cc(CN)cc1F)Cl	107
+C(N1C(c2c(C(=C1)C(=O)OC)cc(N)c(c2)OC)=O)C	0
+Nc1c(OC)cc2c(c(Nc3cc(Cl)c(F)cc3)c(C#N)cn2)c1	0
+c1c(c(cc(c1)Nc2c3cc(N)c(OC)cc3ncn2)Cl)OCc4ncccc4	0
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+c1(c([N+]([O-])=O)cc2c(c1)ncnc2Nc3cccc(C#C)c3)OC	73
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+C1CCC(C1)c2ccccc2[N+](=O)[O-]	191
+c1cc(ccc1Oc2cc(ccc2)OCC=C)CNc3cccc([N+]([O-])=O)c3C=C	208
+c1(c(Cl)nc(cc1C)Cl)[N+]([O-])=O	174
+C(c1c(F)c(cc([N+]([O-])=O)c1)N2CCCC2=O)(=O)OC	2795
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+CC(O)c1c(O)c(ccc1)Sc2c(F)cccc2	74
+C1CC(CCN1Cc2ccccc2)Nc3c([N+](=O)[O-])cccc3C	205
+O=Cc1c(c(c(C)cc1)I)F	39
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+Cc1nn(-c2c(cccc2F)C#N)cc1C=O	926
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+c1cc(ccc1C=C(C)COc2c(c(C)c(NC=O)c(C)c2)C)C	1282
+c1(F)c(C(=O)O)c(cc(c1)Br)O	1
+c12c(cc(c(Br)c1F)F)[nH]cc2	1452
+c1ccccc1CSc2cccc(c2C)-c3cccnc3	607
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+c12ccccc1c(N)c(N)c(Cl)n2	13
+c1ccccc1COc2c(C#N)c(ncc2)Br	2467
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+Nc1c(c2[nH]cnc2c(C)c1)C	0
+Nc1ccc2c(C(OC(OCC)=N2)=O)c1CC	0
+NCc1c(nc(C)c(C(C)=C)c1)C	18
+c1(c(cc(I)c(C)c1)C(=O)O)CC	1
+c1(c(cc(C)cc1)Nc2cc(O)ncc2C(=O)O)Cl	1
+c1cc(ccc1)CN2CCN(C(Cc3ccc(c(c3)Cl)Cl)=O)C4C(N5CCCC5)CCCC24	58
+c1cc(ccc1)C(Cc2ccc(Cl)c(Cl)c2)=O	832
+c1c(CO)c(Cl)cc(Cl)c1OC	49
+Nc1c(cc(Cl)c(I)c1)OC	0
+c1(c(cc(c(C(=O)N2Cc3cccn3Cc4c2cccc4)c1)OC)-c5ccccc5OCC)Cl	610
+C(CCC#Cc1cc(c(-n2nc(C)nc2)cc1)OC)C(c3cc(c(cc3)Cl)Cl)O	3151
+O(C)c1c(O)c(c(cc1[N+](=O)[O-])C=O)Cl	173
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+c1ccc2c(c1)C(=O)N(C2=O)C3CC(CC3)c4c(F)cc(Br)c(F)c4	1579
+c1(c(-c2ccncn2)ccc(N)n1)-c3occc3	1220
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+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)N4Cc5ncc(Br)cc5C4	10496
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+COc1nnc(Cl)cc1C(=O)C	716
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+O=C1c2c(C(=O)N1CC3C(C)CCCN3C(c4cc(C)ccc4-c5cnn(c5)C)=O)cccc2	30
+c1ccccc1COc2ccc(C)c(C(=O)OC)c2F	22
+c1(CO)c(ccc(Cl)c1Cl)[N+]([O-])=O	41
+Nc1c(Cl)ccc(c1Cl)C(=O)O	106
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+c1cc(ccc1CNC(c2ccc(Cl)nc2N)=O)OCc3ccccc3	56
+c1(c(ccc(c1)-c2cc(ccc2)F)F)C(Nc3cc(ccc3)OC)=O	67
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+c1ccccc1-c2cc(C(c3c(Cl)cccc3)=O)ccc2O	222
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+C(c1cnccc1)NC(c2c(Cl)c(Br)ccc2)=O	14
+c1c(CO)c(c(cc1)O)Cl	49
+O=Cc1cccc(C#N)c1Cl	2196
+c1ccccc1COc2cccc(F)c2F	22
+COc1cccc(C#N)c1N	0
+c1cc(ccc1C#N)Oc2cccc(c2C(C)CC)OC	46
+Nc1c(c(ccc1)OC(C)C(OC)=O)C	0
+Clc1cc(cc(Cl)c1N=Cc2cnccc2N=[N+]=[N-])F	3026
+c1c(cc(c(Nc2c(cnc(Cl)c2F)C(=O)O)c1)F)Br	179
+c1(I)c(nn(C)c1CO)C	453
+c1(-c2c(cccc2)F)c(cc3NC(Nc3n1)=O)-c4c(cncc4)F	3100
+c12cc(c(-c3occc3)nc1[nH]c(-c4cc(F)ccc4)c2)-c5ccncn5	3152
+c1c(Cl)cc(cc1Sc2nc(c(cc2)[N+]([O-])=O)C#N)Cl	5018
+c1(C(=O)O)cnc(c(c1)C#Cc2cccc(NC(c3occc3C)=O)c2)N	1
+c1(cc(C(=O)OC)cnc1N)OCc2c(F)cccc2	161
+c1(c(ncc(c1)C(N=S(CCCCC(=O)O)(C)=O)=O)N)C#Cc2cccc(NC(c3occc3C)=O)c2	4
+C(c1ncccc1C)NCc2ncccc2C	294
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+c1(C=CCOC)c2cc(Br)ccn2cn1	10498
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+O=S(=O)(c1ccccc1)n2c3c(c(C4=CCN(C)CC4)c2)cc(C#N)cc3	367
+c1(c2cc(C#N)ccc2[nH]c1)C=3CCN(C)CC=3	274
+c1(C=O)nc(c2cc(ccc2n1)OC)NCc3ccc4OCOc4c3	2287
+C1CN(CCC1Nc2c3c(c(nn2)COC)ccc(OC)c3)Cc4ccccc4	232
+c1(n(c2c(ccc(OC)c2)c1C(=O)NCc3cc(F)c(cc3)F)Cc4ncccc4)C=O	2714
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+c1cc(ccc1)Oc2c(CNc3ccc4c(nnc(Cl)c4c3)O)c(ccc2)Cl	250
+c1(c(NCc2cc(on2)-c3cccnc3)c4ccccc4nc1)N	13
+c1cc(ccc1C(=O)c2c(C)c(c3ccccn23)OC)[N+](=O)[O-]	4351
+O=S(=O)(c1ccc(cc1)-n2c3c(cccn3)c(C(OC)=O)c2)C	10499
+c1(cccc2OCCc12)C(=O)O	10500
+O=Cc1c2ncccn2nc1	10501
+c1c(cccc1-n2c(ncc2)C)Nc3ccn4c(c(cn4)C=O)n3	3042
+c1(c2nc(C)c(C(=O)O)n2cc(C)c1)OCc3c(c(ccc3F)OC)F	6
+c12c(c(N)c(C(=O)c3c(C)cc(F)cc3)cc1)nccc2	13
+c1(c2c(c(c(nn2)C(=O)N)Nc3cc(F)cnc3)cc(SCC)c1)F	10502
+c1(c[nH]c2c1cc(N)cc2)Cc3c(cc(cc3)C(=O)OC)OC	0
+c1(c[nH]c2c1cc([N+]([O-])=O)cc2)Cc3c(cc(C(=O)O)cc3)OC	1
+c1ccccc1Cn2cc(Cc3ccc(C(=O)OC)cc3OC)c4cc(NC(CCCCC)=O)ccc24	190
+c1cc(ccc1CNc2ccc(-c3c(N)nc(N)nc3CC)cc2C)S(=O)(=O)C	208
+c1cnccc1CCNCc2cc(ccc2)-c3nc(Cl)ncc3	42
+c1(C(=O)O)cc(-c2ccnn2C)c(C)s1	1
+c1(C(=O)O)cc(-c2ccnn2C)c(Cl)s1	1
+c1cc(ccc1S(=O)(=O)n2cc(I)c3cc(-c4cc(C=O)ccc4)cnc23)C	276
+c1(C(=O)O)cc(-c2n(C)ncc2F)c(Cl)s1	1
+c1(nc2ccccc2c(c1)[N+]([O-])=O)Br	2298
+c1c(N)c(NC)cc(c1Br)C#N	0
+c1cc(ccc1COc2c(Br)cc(C=O)cc2)OC	22
+c1ccccc1COc2c(O)ncc(Br)c2	483
+c1(C#N)cc(C#N)c(O)cc1	5
+c1c(Br)c(ccc1)NC(Nc2c(cc(C#N)cc2)O)=S	773
+C(c1cc(C#N)ccc1O)CC	732
+Nc1c(cc(C#N)cc1)OC	0
+c1(cc(C(=O)N2Cc3cccn3Cc4c2cccc4)c(cc1-c5ccccc5F)OC)Cl	610
+c1(cc(ccc1)C(=O)N)Br	10503
+c1ccccc1COc2c(ccc(C(O)=O)c2)I	22
+c1(cc(-c2cc(F)ccc2)cc(F)c1C)C(=O)O	1
+c1cc(ccc1C(O)=O)-c2ccc(N3CCCC3=O)cc2C(OC)=O	11
+c1(cc(CO)c(cc1Br)Cl)F	98
+c1(cc(COC)c(cc1Br)O)F	49
+c1(cc(C(=O)OC)c(cc1Br)O)F	5
+c1(F)c(cc(c(C=O)c1)[N+]([O-])=O)Br	1766
+c1c(CN=[N+]=[N-])cc(CF)cc1CO	98
+c1(cc(CO)cc2c1OCO2)OC	98
+c1cc(ccc1-c2cccc(C(CCCCCC)O)c2)C=O	11
+c1(cc(ccc1Br)C=2CCCN=2)F	1529
+c1cc(ccc1)CN2CCC(OC(=O)c3cc(c(cc3)[N+]([O-])=O)OC)C2	279
+c1(cc(C(CCN)O)ccc1)Br	51
+c1(cc(ccc1)C(=O)c2c(Cl)nc(Cl)nc2)Br	10504
+c1(cc(C)c(OC)c(c1)CNc2c(c(ccc2F)O)C)-c3cc(F)ccc3	162
+c1(cc(C)c(OC)c(c1)CNc2c(c(ccc2F)O)F)-c3cc(F)ccc3	162
+C(Cc1cc(C)cc(c1)CBr)O	21
+c1(CO)ccc(C)cc1OC(CC=C)C	98
+c1cnccc1-c2cc(CC#N)cc(CO)c2	2036
+c1(c2ccccc2ncc1[N+]([O-])=O)NCc3cc(on3)-c4cccnc4	105
+c1cc(ccc1)OC(c2nccc3C(=O)N(Cc4cnc(c(c4)C)-n5nccc5)Cc23)=O	4710
+c1(-c2ncccc2)[nH]cc(C=O)c1	200
+c1cc(ccc1)[Si](c2ccccc2)(OCc3cccc(C=O)c3)C(C)(C)C	328
+c1(cc(CO)c(cc1Br)O)F	88
+Nc1cc(c(CO)cc1Cl)OC	217
+c1cc(ccc1N2C(c3c(cccc3)N(CC(Nc4cc(c(cc4OC)OC)Cl)=O)C2=O)=O)CC(=O)OCC	3318
+Clc1cc(C(=O)C)c(cc1Br)O	5
+c1(nc(ccc1)Nc2cc(Oc3ccc4c(OCCO4)c3)ncn2)N	185
+c1(C(=O)O)cc(F)c(C)nc1	1
+c1(cc(c(cc1)C(c2ccc(cc2F)C)=C(c3nnnn3C)C=CC=O)F)C	5019
+c1(c2ccc(OC)cc2n(Cc3ncccc3)c1C(OC)=O)C(=O)NCc4cc(F)c(cc4)F	56
+c1cc(ccc1CN2C(=O)N(c3nn(Cc4ccc(cc4)OC)c(C(=O)NCc5ccc(F)c(F)c5)c3)C=N2)F	81
+c1ccccc1CN(Cc2ccccc2)C(C(NCc3cc(c(cc3)F)F)=O)COC(F)F	9
+c1(Cl)cc(C(=O)OC)c(nc1Cl)-c2cc(F)ccc2	174
+c1ccccc1Oc2cc(Br)ccc2	46
+c1c2c(ccc1)C(=O)N(C2=O)C(C=3N=C4N(C(=O)C=3c5cc(F)ccc5)C(C)=CC=C4)C	10505
+O=CC=1N=C2N(C(=CC=C2)C)C(=O)C=1c3cc(F)ccc3	10506
+c1c2c(ccc(c2Oc3c(cc(F)cc3)F)OC)nc(O)c1	2900
+c1cc(ccc1F)CC#Cc2cccc(-c3nnn(n3)CCCN4CC(C(O)=O)CCC4)c2	121
+c1(cc(I)ccc1)-c2nnn(n2)CCCN3CCCC(C(=O)O)C3	3
+c1cc(ccc1C(=N)Nc2cc(C)c(C)cc2)S(=O)(=O)C	3121
+c1cn[nH]c1C(Nc2cccc(c2)F)=O	10507
+c1(N2CCOCC2C)nc(Cl)nc(CO)c1	629
+c1(c(ccc(N)c1)OC)C(=O)C	106
+c1(cc(N)ccc1[N+]([O-])=O)OC	106
+c1c(cc2c(C(=O)C(=O)N2)c1)Br	1418
+c1cc(ccc1C)S(=O)(=O)Oc2c3c(CCN(C(=O)Nc4cc(CC)ccc4)C3)nc(-c5ccc6c(OCO6)c5)n2	4603
+c1(cc(Nc2c3cc(N)ccc3ncc2C#N)ccc1)Br	0
+c1(cc(c(N)c(c1)F)OC)C(=O)O	0
+c1c(cc(C(=O)OC)c(Nc2c(cc(c(F)c2)-c3cc(C)c(Cl)cc3)OC)c1)Br	1215
+c1(cc(OC)n(-c2c(cccc2)F)n1)C(=O)NC(CC(O)=O)c3ccccc3C	3
+c1(C(=O)O)cc(OCCCBr)no1	1
+c1(cc(Oc2c(F)cc(C(=O)O)cc2)cc(OC(C)CO)c1)C(=O)Nc3ccn(C)n3	6
+c1ccccc1CCNC(CSc2nc(nc(C)c2)N)=O	271
+c1ccccc1COc2c([N+]([O-])=O)cc(cc2)C=O	139
+c1(c([N+](=O)[O-])cc(cc1)C(O)c2cc(OCC)c(cc2)OC)OC	257
+c1c([N+]([O-])=O)c(ccc1C=CC(OC)=O)OC	530
+Nc1c(c(C(=O)OC)cc([N+]([O-])=O)c1)F	0
+c1ccccc1COc2c(I)ccc([N+](=O)[O-])c2	22
+c1ccccc1C=CC(=O)c2c(O)cc(c(Br)c2)F	307
+c1(cc(c(CNC(c2cn(nc2OCC)CCOc3c(cccc3OCC)CC(=O)O)=O)cc1)Cl)Cl	4
+Fc1cc(cc(F)c1)C(O)c2ccc(F)c(C#N)c2	257
+c1(C)cc2c(NC(O2)=O)cc1OC	3096
+Nc1cc(O)c(cc1[N+]([O-])=O)C(=O)O	106
+c1cc(ccc1OC)CN2N=C(C=C(Br)C2=O)C(=O)OC	10508
+c1(F)cc(c(cc1C)C(NCc2c(cc(cc2)Br)F)=O)OC	14
+c1(cc(c(N)cc1OC)O)C	0
+c1(cc(C)c(c(c1)CNc2c(c(ccc2F)O)F)C)-c3cc(F)ccc3	162
+c1cc(ccc1F)COC(N(Cc2c(-c3cc(ccc3OC)CC(OC)=O)cc(cc2)OC)CC)=O	66
+c1(cc(c(cc1)Cl)-c2n(-c3nc(-n4cc(C)nc4-c5c(Cl)ccc(Cl)c5)c(N)cc3)cc(C)n2)Cl	13
+c1c(Cl)c(Cc2cc3c(OCCO3)cc2)cc(c1)I	394
+c1(C=O)cc(Oc2cccc(C#N)c2)c(cc1)OC	754
+c1ccccc1COc2c(OC)ccc(C=O)c2	139
+O=S(=O)(Oc1c(OC)ccc(C=O)c1)c2ccc(cc2)C	1163
+c1cc(ccc1)C(=O)Oc2cc(ccc2OC)C=O	1039
+c1ccccc1COc2c(OC)ccc(C=O)c2	22
+c1(C=O)cc(c(cc1)OC)OCc2nc(-c3occc3)oc2C	547
+COc1cc(cc(OC)c1)C(C=Cc2ccc(c(c2)O)OCCCC)=O	307
+O(c1c(cc(Cl)cc1)C(CC)=O)c2c3cc(c(OC)cc3ncc2)OC	155
+c1(cc(c(cc1Br)CC(=O)O)C)F	4
+c1c(c(cc(F)c1Br)O)N	0
+c1(c(cc(c(c1)F)Br)F)C2CCC(C2)O	100
+c1c(c(cc(F)c1N)C)Br	0
+c1(cc(Br)co1)C(=O)OC	10509
+Nc1c2c(CO)cc(C)nc2sc1C(=O)N	217
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3ccc(cc3)-c4cc(cc(Br)c4)C#N	11
+c1(cc(cc(Br)c1)C#N)Br	480
+c1c(Br)c(c(cc1CC(C(=O)O)O)Br)Oc2cc(c(c(c2)C=Cc3ccccc3)O)C(C)C	4
+Nc1cc(cc(C(=O)OC)c1C)Br	0
+c1(C)cccc(C)c1-c2cnc(c(-c3cc(C)cc(c3)C)n2)-c4cc(C)cc(C)c4	696
+c1c(C)cc(cc1CN2c3cc(ccc3OCC2)C=O)C	507
+c1(cc(cc(C)c1-c2cc(COc3ccc(cc3)CCC(=O)OC)ccc2)OC4CCCCO4)C	20
+c1c(C)c(c(cc1O)C)-c2cc(COc3ccc(cc3)CCC(=O)OC)ccc2	805
+c1(cc(cc(C)c1-c2cc(COc3ccc(cc3)CCC(=O)O)ccc2)OCCOCC)C	4
+c1c(C)c(c(cc1OCCOCC)C)-c2cc(CO)ccc2	41
+c1(C)cc(cc(C)c1-c2cccc(CO)c2C)OCOC	98
+c1c(C)c(c(cc1C)C)-c2cccc3c(Cl)cc(nc23)C	1009
+c1(cc(cc(C)c1Br)OC(c2ccc(cc2)C(=O)OC)C(C)C)C	20
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(C(C)C)c3ccc(cc3)C(OC)=O	11
+Cc1cc(cc(C)c1C(C)=O)Oc2ccc3OCOc3c2	415
+c1cc(ccc1)Oc2cc(C)c(c(c2)C)C(C)=O	415
+c1cc(ccc1Oc2cc(C)c(c(C)c2)C(C)=O)F	415
+c1(cc(cc(C)c1N=C2N(C(N(C(c3cc(O)c(cc3)O)=C2)C)=O)C)C)C	5
+c1(cc(cc(C)c1N=C2N(C)C(N(C)C(=C2)c3ccc(c(c3)OC)OCC(=O)O)=O)C)C	3
+c1ccccc1-c2nc(c(cn2)CNc3cc(C)c(c(c3)C)NC(OCCC)=O)C	10510
+c1c(C)c(c(cc1[N+](=O)[O-])C)N	106
+Cc1cc(cc(C)c1Nc2nc3c(c(N)cc(C)c3)s2)C	10511
+c1cc(ccc1)Cn2ccc3nc(Cl)nc(Oc4c(C)cc(cc4C)C(C)=O)c23	1438
+c1c(C)c(c(cc1-c2[nH]c3c(c2C)cccc3)C)OC	1150
+Cc1cc(cc(C)c1OCCCC)C=COC	1417
+c1(cc(cc(C)c1OCOCCOC)C=CC=CC(=O)O)C	108
+Cc1cc(cc(C)c1S(=O)(=O)N)N	106
+c1cc(ccc1Nc2nc(C)c([N+]([O-])=O)c(Sc3c(cc(cc3C)Br)C)n2)C#N	55
+c1(cc(cc(C)c1N)COCC)C	0
+Clc1cc(cc(Cl)c1)C(C)(C)C(N(C)c2cnc(Cl)cc2-c3ccccc3Cl)=O	2052
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3cc4c(cc3Cl)C(C(=O)O)CCO4)Cl	3
+c1(Cl)cc(cc(Cl)c1)COc2cc(C(=O)NCc3c(cc(cc3)C#N)O)cc(c2)Cl	14
+c1c(Cl)cc(cc1N=Cc2cc(ccc2O)Br)Cl	457
+c1c(Cl)cc(cc1Nc2nc(nc(NC)n2)Nc3ccc(cc3)O)Cl	360
+c1cc(ccc1N2C(c3c(c(ccc3)C)C2=O)=O)CC(C(OCC)=O)NC(=O)c4c(cc(cc4Cl)-c5[nH]nnn5)Cl	259
+Clc1cc(cc(Cl)c1CCC(NOC)C)Cl	3813
+Clc1cc(cc(Cl)c1CCCNOC)Cl	2498
+Clc1cc(cc(Cl)c1-n2cc3cncc(c3n2)Cl)C#N	3027
+c1c(Cl)c(c(cc1[N+]([O-])=O)Cl)-n2cc3cncc(c3n2)F	3027
+c1(Cl)cc(cc(Cl)c1NCC(OCC)=O)CCNC(C(c2ccc(cc2)O)O)C	132
+c1(cc(cc(Cl)c1OCCCC(c2ccc(cc2)F)=C)OCC=C(Cl)Cl)Cl	1707
+c1c(Cl)c(c(cc1N)Cl)Oc2cc(c(cc2)O)C(NCCCCCCCCC)=O	0
+C1CN(CCC1C(c2cc(F)cc(c2)F)CCOC(C)C)S(=O)(=O)C	21
+c1(F)cc(cc(F)c1)C(CC(OC(C)C)=O)C2CCNCC2	62
+c1c(F)cc(cc1C)F	10512
+c1(F)cc(cc(F)c1)COc2cncc(C#N)c2	483
+c1c(c2C(CCCc2cc1F)=O)F	214
+c1(cc(cc(F)c1)CCCC(=O)O)F	10513
+c1(F)cc(cc(F)c1)Nc2ncccc2C(O)=O	1
+Fc1cc(cc(F)c1Br)OCCC2C(C3CCN(CC3)c4ncc(cn4)OCC)C2	20
+c1c(F)c(c(cc1F)F)CCc2cc(c(Cl)cc2)NNC(OC)=O	1702
+c1(cc(cc(F)c1C(C(=O)O)OC)OCC)F	3
+c1c(F)c(c(cc1OC)F)C#N	274
+c1c(F)c(c(cc1C=CC(=O)O)F)C2N(C(C)(C)Cc3c4ccccc4[nH]c23)CC(CF)C	127
+c1(F)cc(cc(F)c1C=CC(OCC)=O)N	530
+Fc1cc(cc(F)c1C2C(Nc3c(C2=O)ccnn3)=O)F	10514
+c1nc(ncc1COC)N2CCC(CC2)C3C(CCOc4cc(F)c(c(c4)F)CC(=O)OC)C3	20
+c1(cc(cc(F)c1F)C2c3nc(Nc4cc(OC)c(cc4)-n5cnc(Cl)n5)nc(NC)c3CC2)F	55
+c1(cc(cc(F)c1F)CCC2CCC(CC2)C=O)F	1143
+c1(cc(cc(F)c1F)CCC2CCC(CC2)=COC)F	2553
+c1(cc(cc(F)c1O)COCC(=O)OCC)F	16
+c1cc(ccc1-c2oc3cc(N(c4cc(F)c(c(F)c4)N)S(=O)(=O)C)c(C5CC5)cc3c2C(NC)=O)F	0
+c1(cc(cc(I)c1O)C(c2c3c(oc2CCC(=O)O)cccc3)=O)I	3
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(Br)c2)O	8
+COc1cc(cc(OC)c1Br)CO	49
+c1c(OC)c(c(cc1-c2nccc(CO)c2)OC)Cl	49
+c1(cc(cc(OC)c1Cl)-c2nccc(C(O)=O)c2)OC	6
+c1c(OC)c(c(cc1-c2nc(CO)cs2)OC)OC	1171
+c1cc(ccc1C(=Cc2cc(OC)c(c(OC)c2)OC)C(NCc3ccc(cc3)C(=O)OCC)=O)F	711
+c1c(OC)c(c(cc1CCCO)OC)OC	95
+O(c1cc(cc(OC)c1N)Br)C	0
+c1(cc(cc(OCC)c1-c2ccc(cc2)F)CO)OCC	217
+C1CN(CCC1NC(=O)c2cc(OC(C)(C)C(=O)O)ccc2)Cc3cc(OCC)c(c(OCC)c3)F	3
+O=S(=O)(c1cc([N+]([O-])=O)cc(N)c1)NC	0
+c1(F)cc(cc(F)c1)Oc2ccc(cc2)OC	46
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)Oc3cc(Br)cc(c3)Nc4cnccc4	1505
+c1c(c(O)c(cc1F)[N+]([O-])=O)-c2cc(C(=O)O)ccc2	5
+c1cc(ccc1)C(c2ccccc2)CCN3CC(CC3)NC(Nc4cc(nc(c4)C)CC)=O	282
+c1(nc(O)cc(OCc2ccc(cc2F)F)c1)C	139
+c1cc(ccc1)Oc2cc3nc(-c4ncccc4)nn3c(N)c2	10515
+c1(C=O)cc2c(C(=O)OC)nn(-c3cccc(c3)Br)c2cc1	39
+c1cc(cc(c1)C(c2cccc(c2)Br)=O)Br	335
+c1(cc(ccc1)C#N)-c2ccc(C(=O)O)cn2	1
+COc1ccc2C(N(c3cccc(C#N)c3)C=Cc2c1)=O	2333
+c1cc(ccc1)COc2cccc(c2)C3CC(=O)N(c4cccc(C#N)c4)C3	654
+c1cc(ccc1)-c2cc(C(=O)OC)ccc2	11
+c1cc(ccc1C=O)-c2cccc(C(OCC)=O)c2	11
+c1(ccc(NC(c2cc(ccc2)Br)=O)cc1-c3ccnn3C)OCCOC	50
+c1c(cccc1Br)C(=O)N2Cc3cccn3Cc4c2cccc4	448
+C(C(c1cc(ccc1)Br)=O)C(CC=C)O	155
+C(c1cc(C=O)ccc1)C(=O)O	4
+c1cc(ccc1CNCc2cccc(CC(=O)OCC)c2)C	42
+c1ccc(CO)cc1CCCCOC	41
+c1(cc(ccc1)F)-c2cc(F)c(c(CNc3c(F)ccc(O)c3F)c2)C	162
+c1c(cc2[nH]c(c(Sc3cc(ccc3)C(=O)OC)c2c1)C)Br	1502
+c1(cc(ccc1)Nc2c3cc(c(N)cc3ncn2)[N+]([O-])=O)Br	106
+c1(cc(ccc1)Nc2c3cc(N)ccc3ncn2)Br	0
+Nc1c(N)cc2c(ncnc2c1)Nc3cccc(Br)c3	0
+c1cc(ccc1COc2cc(C=O)ccc2)Cl	139
+c1cc(ccc1OCC)COc2cc(C=O)ccc2	20
+COc1cccc(-c2nc(ccc2CC(OC)=O)Cl)c1	174
+c1(cc(ccc1)OC)-c2nc3n(ccc(c3)NC(c4n(C)ncc4C(=O)O)=O)n2	6
+c1(cc(ccc1Br)C2CO2)F	5020
+c1ccccc1COC(=O)N2CCCC2c3ccc(c(c3)F)Br	66
+c1(cc(ccc1Br)C2NCCC2)F	1218
+c1(cc(ccc1C=CC(=O)O)F)OC(CC)C	127
+c1cc(ccc1)CN2C(C(Cc3ccc(F)c(c3)C)OCC2)=O	10516
+c1(N)c(Nc2c(c(C(=O)OC)ccc2)C)ccc(F)c1	0
+c1(I)cc(c(cc1)NCc2cc(c(OCc3ccc(nc3)OC)cc2)OC)N	0
+c1(cc(C#N)ccc1[N+]([O-])=O)OC	274
+c1cc(ccc1)CN(C)Cc2ccc([N+](=O)[O-])c(c2)OC	131
+C(c1cc(OC)c(cc1)[N+]([O-])=O)C(=O)O	3
+c1cc(ccc1C)S(=O)(=O)Nc2c(C(OC)=O)cc(Oc3ccc(c(c3)NCCCC)[N+]([O-])=O)cc2	46
+c1(cc(c(N)cc1)OC)NCCCCCC	0
+Nc1c(cc(cc1)OCCO)OC	0
+O(C(C)=O)CCOc1cc(c(N)cc1)OC	0
+c1ccccc1-c2cncc(c2)C(=O)O	89
+c1ccc(cc1C#Cc2cncc(C(=O)O)c2)NC(=O)c3c(cco3)C	1240
+O=S(c1cc(ccc1)C(=O)OC)(C)=NC(c2cc(cnc2)Br)=O	10517
+c1ccccc1S(=NC(=O)c2cncc(Br)c2)(C)=O	3144
+c1(cc(N)n[nH]1)C(Nc2cccc(c2)F)=O	161
+c1cc(ccc1C)S(=O)(=O)n2cc(CN3CCCC4(CCN(CC4)c5nc(OC)cc(n5)C)C3=O)c6ccccc26	117
+c1(cc(nc(SCc2ccc(N)cc2Cl)n1)O)C	0
+c1(cc(nc(SCc2cccc(N)c2Cl)n1)O)C	0
+c1(Cl)cncc(Cl)c1CSc2nc(N)cc(C)n2	2667
+c1cc(ccc1-c2c(C#N)cccc2)CN3C(=NC(=CC3=O)C)SCC	10518
+n1c(c(cc(NN)n1)OCC)OCC	10519
+c1(F)c(cc2c(c(ccc2)O)c1)Br	10520
+c1(C(=O)O)cc2CCSc2s1	1
+c1(cc2NC(=O)COc2cc1)N3CC(CC3=O)CO	1262
+c1(cc2c(cc1Br)CCC(=S)N2)F	199
+c1(cc2OCCc2cc1)C(CC(=O)O)NC(CCC3CCc4c(C3)nc5c(CCCN5)c4)=O	3
+c1cc(ccc1)OC(n2c-3c(c(n2)Nc4cccc(F)c4)Cc5c-3cc(OC)c(OC)c5)=O	3266
+C1CC2N(c3c(cc(CO)cn3)NC2=O)CC1	88
+c1cc(ccc1CN2C(CCCC)=Nc3ccc(-c4nn(CCCC=C)nn4)cc3C2=O)-c5c(C#N)cccc5	10521
+c1(cccc(c1)Nc2nc(c(cn2)F)Nc3cc4c(OCCO4)cc3)N	55
+c1ccccc1COC(N2CC(C(NCc3cc4OCCOc4cn3)CC2)O)=O	294
+c1cc(ccc1)COCc2nc3ccc(cc3c(NCc4ccc5OCOc5c4)n2)OC	40
+c1ccccc1C(O)c2cc3ccnc(Cl)c3[nH]2	5021
+c1cc(ccc1OC)CN2C=Cc3cc(c(Br)cc3C2=O)F	5022
+c1cc(cc2c1N(C(=O)N(C2=O)CC)CC)C(O)=O	1
+C1CN2CCC1C(C2)OC(Nc3cc(ccc3-c4ccccc4)C=CCN5C(=O)Oc6c5ccc(C=O)c6)=O	858
+C(CCSc1[nH]c2cc(C(OCC)=O)ccc2n1)CSc3c(c(O)c(cc3)C(=O)C)CCC	2465
+Nc1c2cc(ccc2ccc1)C(=O)N	0
+c1(cc2n[nH]cc2cc1Br)F	2363
+c1(sc(C(=O)O)c(n1)-c2ccc(Cl)c(Cl)c2)-n3cnc4cc(c(cc34)OC)OC	1
+C(=O)c1cc2c(ccc(-c3ccccc3C)c2)nc1Cl	200
+c1(cc2c(ccc(N)c2)nc1O)C(=O)O	0
+c1(cc2c3c(ccc2cc1)ccc(c3)O)Br	5
+o1c2cccc(c2cc1CO)Br	4333
+Nc1c2c(ccc1)cnc(c2)COC	0
+C1CC1COCCc2ccc(cc2)OCC(CNCCn3c4ccc(-c5ccc(nn5)O)cc4nc3)O	122
+c1(cc2c(n(CCN)cn2)cc1)-c3nnc(O)cc3	524
+c1(cc(OC)c(cc1)C#N)NCc2cc3cc(Cl)c(cc3nc2O)OCc4cnccc4	10522
+c1cc(ccc1OC)Nc2nc(Cl)nc3c2cc(-c4ccco4)cc3	73
+O=C(NC1c2c(cccn2)C(N=[N+]=[N-])C(c3c(c(ccc3)F)F)CC1)c4cnc5c(c4)CC6(c7cccnc7NC6=O)C5	56
+Nc1cc(cc2c1nccc2)OC	13
+c1ccccc1OC(Nc2c(Cl)cc(cc2)Oc3ccnc4cc(OCCOC)c(C(=O)OC)cc34)=O	90
+c1c2c(nccc2Oc3ccc(c(Cl)c3)NC(=O)NC)cc(OC)c1C(=O)O	1
+C(=O)(C)c1oc2cc(ccc2c1)C(=O)OC	3153
+c1(C(=O)O)cc2c(s1)nc(Cl)cn2	1
+c1(cc2c(scc2)cc1Br)F	1539
+c1(cc2c(sc(C(=O)O)c2)cc1Br)F	1
+c1(cc2c3c(cc(cc3C(=O)N(CCCC(O)=O)C2=O)C(O)=O)c1)N	0
+c1(cc2ccc(cc2cc1)OC)C(C)CN	15
+c1cc2cc(ccc2cc1O)C3(NC(=O)OC3)C	5
+c1(cc2c(c(c1)CO)cccc2)Br	88
+C12C=C(CC(CC1)N2CCNc3cc(OC)cc4cccnc34)c5cc6c(cccc6)cc5	10523
+c1(cc2c(c(nn2c(OCc3c(F)c(ccc3F)F)c1)C)C(O)=O)C	6
+c1(cc2nc(C(NC(C)Cn3ccc(-c4cc(Cl)c(c(c4)F)C#N)n3)=O)cn2c(C)n1)C	312
+c1(cc2nc(C(=O)O)cn2c(C)n1)C	6
+COc1cc2c(cc1CC=O)nccc2	1292
+n1ccc(c(OC)c1CO)OC	813
+COc1cc(c(F)cc1)-c2ccc(CO)nc2Cl	398
+c1ccccc1OCCOc2ccc(Br)nc2C(OC)=O	1286
+c1cc(ccc1Cc2nc3nc(ccc3o2)Br)F	10524
+C(C(CCc1ccc(F)c(F)c1F)O)CCC	213
+Nc1cc(ccc1CC)C(=O)C	0
+O=C(c1ccc(c(Cl)c1)Cl)NC2c3c(CCC2O)ccc([N+]([O-])=O)c3	93
+c1(C(=O)OC)ccc(c(N)c1)NC2C(CCCC2)C	0
+c1(ccc(cc1O)C(C)C(=O)O)[N+]([O-])=O	3
+OCCC(c1ccc(c(Cl)c1)Cl)N	21
+c1ccccc1COc2c(ccc(C(=O)NCC)c2)[N+]([O-])=O	22
+C1CCCc2c(C(c3cccs3)=O)ccc(OCC(O)=O)c12	4
+c1(C)ccc(CO)nc1Cl	398
+Fc1c(C)ccc(c1)CN2CCC(C2=O)N3CC(C(c4cc(c(OC)cc4)F)CC3)F	2150
+c1ccccc1COc2ccc(cc2)C3CCN(CC3(F)F)C4C(N(Cc5cc(c(C)cc5)F)CC4)=O	2150
+Nc1c(N)c(c(C)cc1)C	0
+c1(ccc(C)cn1)-c2cc(cc(c2)-c3occn3)C(=O)O	1
+c1cc(ccc1)COc2c(cc(N)nc2CCCCCCCCCCOCOC)C	899
+c1(ccc(C)n1-c2ccc(C(CNCC3Oc4c(CC3)cc(I)cc4)O)cn2)C	15
+C1CC1c2c(-c3nc(N)ccc3)ccc(c2)O	899
+COc1c(cc(CC)c(c1)O)-c2cccc(n2)N	899
+Cc1ccc(C)n1-c2nc(CCC(n3c(ccc3C)C)C)cc(C)c2	3008
+c1ccccc1Oc2ccc3c(nc(o3)-c4ccc(C=O)cc4F)c2	1328
+c1(OCOC)c(cc(cc1)C=C)OCOC	4749
+C1CC(CCC1)N(C(Nc2c(cc(CC(OCC)=O)cc2)Cl)=O)c3n(-c4ccc(cc4)Cl)nc5ccccc35	1587
+c1cc(O)cc(-c2ncnc3c(Cl)cccc23)c1Cl	5
+Nc1ccc(Cl)c(C(=O)O)c1Cl	0
+c1(ccc(c(N)c1F)Cl)C(=O)O	106
+Nc1c(nc(cc1)Cl)C(=O)N	13
+Fc1cc(cc(F)c1-c2nc(C(OC)=O)ccc2F)OC	119
+c1cc(ccc1F)CNc2c(F)c(N)c(cc2)[N+](=O)[O-]	60
+c1cc(ccc1F)C(C(=O)Nc2cc(F)ccc2C(N)=O)Br	33
+c1ccccc1COc2cc(I)ccc2[N+](=O)[O-]	22
+CCOC(=O)C(c1ccc2NC(=O)Nc2c1)C	2280
+c1cc(ccc1)COc2cc(ccc2)Nc3ncc(cn3)Nc4ccc(c(c4)Cl)Cl	10525
+c1cc(ccc1NC(=O)C2C(CC(C2)=C)NC(c3c(F)cc(cc3)N4C(C=CC=C4)=O)=O)Cl	14
+c1(ccc(N2CC(CO)CCC2)cc1C(Nc3c(C)c(C(=O)O)ccc3C)=O)C	1
+c1(ccc(N)cc1-c2ccnn2C)OCCOC	106
+CC(=O)Nc1cc(c(cc1)C(=O)C)O	5
+c1(ccc(Nc2c(N)cccc2)cc1F)C(OCC)=O	0
+c1ccccc1NC(c2c(ccc(Br)c2C)O)=O	67
+c1cc(cc(F)c1CSc2ccc(OC)c(Cl)c2Cl)F	1128
+N(Cc1ncccc1)Cc2cccc3c2nc(o3)-c4cc(OC)ccc4O	241
+c1(ccc(OC)cc1OC)-c2cc(C(=O)O)ccc2	1
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccc(-c4cc(C(=O)O)c(C)o4)cn3)=O)c2	1
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccccc3-c4sc(CC(O)=O)cc4)=O)c2	4
+c1(c(C(=O)O)nc(OC)cc1)O	1
+C1CC(CC(C1)N)c2ccc(OCOC)cc2OCOC	733
+c1(ccc(N)cc1-c2nc(O)c3c(n2)c(CCC)ccn3)OCC	0
+c1ccccc1-c2c(cc([N+]([O-])=O)cc2)OC	11
+c1ccccc1C(=O)Oc2c(c(C)c(cc2)C)-c3c(C)c(C)ccc3O	1039
+O=C1N(C(=Nc2ccc([N+]([O-])=O)cc12)CF)c3ccc(cc3C)C	2796
+c1(OC)c(c(c(Cc2c(Cl)ccc(c2)Br)cc1)F)F	394
+c1cc(ccc1)COc2c(c(c([N+](=O)[O-])cc2)F)F	57
+c1cc(ccc1)C(=O)NCC(CCOC2CCCCO2)c3ccc(c(Cl)c3)Cl	10526
+c1ccccc1COC(=O)c2cc(Br)c(C#N)cc2	470
+c1(ccc(cc1Br)C(=O)O)C#N	1
+c1c2c([nH]cc2CC(C(N)=O)Nc3ccc(c(c3)Br)C#N)ccc1	2002
+c1(C(Nc2cc(ccn2)-c3c(nc4cccnn34)-c5cc(c(cc5)F)C)=O)ccnc(C)c1	1372
+C(O)c1ccc(cc1F)CBr	49
+C(Cc1ccc(-c2ccc(cc2F)F)c(c1)F)(=O)O	3
+c1cc(ccc1F)Sc2c(ccc(F)c2)C(=O)O	826
+CC(C(=O)O)c1cc(c(N)cc1)O	0
+c1ccccc1COc2cc(ccc2[N+]([O-])=O)C=O	22
+c1ccccc1COC(=O)c2ccc(c(OC)c2)Br	470
+c1c(ccc2ccccc12)C(O)c3c(ccc(Br)c3OC)F	1641
+c1(ccc(cc1OCCc2cc(C)ccc2)C(=O)O)Br	1
+Nc1cc(-c2ccc(cc2C)C(=O)OC)ccc1CC	0
+c1(ccc(C)cc1N)Sc2cc(ccc2)NC(C)=O	0
+c1(ccc(C)cc1N)Sc2cc(ccc2)O	0
+C(OC)C1CCC(C(OC)=O)CN1	10527
+c1(ccc(nc1C(=O)O)C)-n2nccc2	1
+n1c(c(ccc1NC(c2c(cccc2)F)=O)Br)N	330
+c1ccccc1-c2c(nc(cc2)OC)N	89
+c1ccccc1CN2N=C(c3ccccc3C2=O)Cc4c(C)[nH]c5c4cc(Cl)cc5	10528
+c1cc(ccc1NC=C2C(Nc3cc(-c4cccc(OC)c4)ccc23)=O)OCCCN(CC)CC	1300
+c1c(C(=O)O)nc2NC(=O)CSc2c1	1
+Clc1ccc2c(nc([nH]2)-c3c-4c(ccc3)C(c5c-4cccc5)N)c1	4334
+c1cc(N)c(cc1)CSc2[nH]c3cc(ccc3n2)C	3089
+c1c(OC)c2c(c(c1)Br)ccc(n2)C(=O)O	1
+c1(ccc2c(n(CCN)cc2)c1)N3C(c4cc(OC)ccc4C3)=O	51
+c1c(nc2c(c1)scc2Br)C(=O)O	1
+c1(ncccc1OCCN(CC)CCNC(=O)c2ccc3c(n2)c(I)cnc3)F	780
+c12c(cccc1)C(=O)N(C2=O)CCN(C)Cc3nc4c(cc3)cccc4	315
+c1c(nc2oc(C3C(C)C3)cc2c1)C(=O)O	1
+OCc1ccc2cc(cc(Br)c2n1)F	194
+c1ccccc1CC(=O)c2c(-c3ccc4c(c3)ccc(c4Br)OCC#N)sc5ccccc25	1487
+Nc1ccc2n3c(cc2c1C(=O)OC)CCC3	0
+c1cc(ccc1OCc2ccc3nc(Br)nn3c2)C(CC(=O)OCC)C#CC	751
+c1cc(ccc1OCc2c3cccnc3ccc2[N+]([O-])=O)NC(=O)C	22
+c1ccccc1COC(=O)c2[nH]ccc2	470
+C(CC)N(CCC)CCCCN(Cc1ccc[nH]1)Cc2ccc(cc2)C#N	315
+c1ccccc1-c2nc(Cn3cc(C(=O)OCC)cn3)sc2	562
+c1ccccc1-c2cccc(c2F)C#N	11
+c1cc(ccc1Nc2nc(-c3cccc(n3)Br)nc4ccccc24)Cl	10529
+c1c(Br)nc(C(Nc2cn(C)nc2C(=O)N)=O)cc1	2491
+c1(cccc(C(=O)O)c1)N2C(=O)c3c(nc(SC)nc3)N4C(CCC4)C2	6
+c1(cccc(C=2OC(NN=2)=O)c1)N3C(=O)c4c(nc(SC)nc4)N5C(CCC5)C3	10530
+c1c(cccc1C2=Nc3cccc(Cl)c3C(=O)O2)F	4269
+c1(C)cccc(C)c1-c2cccc(CO)c2	41
+c1c(C)c(c(cc1)C)-c2nc3ccc(cc3[nH]2)C=O	39
+c1(C)cccc(C)c1-c2ccc3c(c2)c(ncn3)O	11
+Cc1cccc(C)c1-c2ccc3n4c(nc5ccccc45)c6c(nc(C)cc6)c3c2	667
+c1c(C)c(c(cc1)C)-c2ncnc(-c3ccccc3)c2	198
+Cc1cccc(C)c1-c2nc3c(CN(Cc4ccccc4)CC3)c(OC)n2	345
+c1c(C)c(c(cc1)C)-c2cnc(cn2)N	356
+c1(C)cccc(C)c1CNc2c3[nH]c(cc3nc(Cl)c2)C	10531
+c1(cccc(C)c1CNc2c(c(nc(Cl)c2)C#CC)N)C	13
+c1(CN2c3c(cccc3)CCCC2=O)cc(ccc1)Br	1126
+C1OCC1(c2ccc(cc2)OCc3cccc(Br)c3)CC(=O)OCC	22
+c1cc(ccc1OCc2cccc(n2)C(OC)=O)I	951
+c1ccccc1COc2cc(ccc2)-c3cccc(CCC(O)=O)c3	11
+c1cc2c(cccc2)nc1COc3ccc(NCc4cc(ccc4)Br)c([N+]([O-])=O)c3	60
+c1cc(ccc1C)C(CN(C)Cc2cccc(c2)Br)=O	676
+c1c(Cl)c(c(cc1)Cl)-c2ccc3cc(CC(NC(c4c(Cl)cccc4Cl)=O)C(=O)OC)ccc3n2	946
+Clc1cccc(Cl)c1-n2c(c(C(C)C)cn2)CO	629
+c1c(Cl)c(c(cc1)Cl)C(CO)Cc2c(cc(Cl)cc2)Cl	95
+c1c(Cl)c(c(cc1)Cl)C(=O)c2cc3c(C(C#N)=C3)cc2O	5
+c1(cccc(Cl)c1CCOCCN2CCC(CC2)=O)Cl	86
+c1cc(ccc1OCc2c(onc2Cc3c(Cl)cccc3Cl)C(C)C)-c4ccc5c(c4)cccc5C(OCC)=O	20
+c1cc(cc2ccnn12)OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3	28
+c1(cccc(-c2nc3c([nH]2)cccc3)c1[N+](=O)[O-])Cl	1127
+c1c(NC(=O)c2cccc(n2)Cl)c3c(cc1-c4c5c([nH]cc5)ccc4)[nH]nc3	187
+c1ccccc1CNC2=CC(=O)N(Cc3cccc(F)c3)C=C2	10532
+c12CCN(C(=O)c1ccc(OCc3cccc(F)c3)n2)c4ccc(cn4)F	2334
+c1c(F)c(c(cc1)F)C(Nc2ncc(cc2)-c3cc4OCCc4cc3Br)=O	330
+c1c(F)c(c(cc1)F)Cc2c(c(ccc2)OC)N(S(=O)(=O)c3cc(c(cc3)OC)OC)CC(O)=O	3
+c1(cccc(F)c1NC(=O)c2ccc(Cc3cc(Cl)ccc3O)o2)F	173
+c1(cccc(F)c1Oc2ccc(cc2)N)F	0
+c1c(CO)c(F)c(I)cc1	49
+c1(cc(ccc1)Nc2c3cc([N+]([O-])=O)c(NC(C)=O)cc3ncn2)Br	2212
+c1(cc(ccc1)Nc2c3c(cc(nc3)N)ncn2)Br	10533
+c1cc(ccc1)Oc2cccc(Nc3cc(Nc4cc(ccc4)N)ncn3)c2	73
+c1ccccc1CNc2cc(ccc2)N3C(NCC3)=O	208
+N1(C(=Nc2cccc(CO)n2)SC(Br)=C1)COC	398
+c1c(Nc2ncnc(c2)Cl)nc(cc1)NC	349
+c1c(ccc(C(O)c2cccc(OC)c2)c1F)F	257
+c1cc(ccc1)P(c2ccccc2)(c3cccc(c3)OC)=O	10534
+c1cc(ccc1)-c2ccccc2-c3cccc(OC)c3	11
+c1(cccc(OCC(=O)O)c1)Br	4
+c1c(cccc1Br)OCC(O)CN2CCc3ccccc3C2	170
+c1c(c(OCC(O)c2cc(OCc3cc(c(cc3)Cl)Cl)ccc2)cc(c1)C#N)F	74
+Nc1cccc([N+]([O-])=O)c1O	0
+c1cc(ccn1)C=Cc2cc([N+]([O-])=O)ccc2	722
+Nc1c(c(ccc1)C(=O)O)F	0
+c1(c(F)c(N)ccc1)C(c2c[nH]c3c2cncn3)=O	0
+c1(cccc(-c2nc(N)[nH]c2)c1)Br	10535
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(c(n4)-c6cc(ccc6)Br)cnc(Cl)n5	10536
+c1(-c2nc3c(c(n2)O)cc(c(OC)c3)O)cc([N+]([O-])=O)ccc1	5
+c1(cccc(C(=O)O)c1)Nc2nc(ccn2)-c3ccnc(c3)Cl	6
+C(c1nnc2N(CCCCC)c3[nH]cnc3C(=O)n12)c4cc(ccc4)Br	10537
+c1ccccc1-c2cccc(CC(=O)OC)c2	11
+CN1C(=O)C=C(CCc2ccccc2Br)NC1=N	10538
+O=Cc1c(ccc(c1)Br)OCCOc2cc(Br)ccc2	8
+c1cc(ccc1-c2cccc(c2)O)-n3c4c(c5ccccc35)cccc4	11
+c1ccccc1COc2cc(Br)ccc2	22
+c1cnccc1CC(c2cccc(OC)c2)(c3cccc(OC)c3)O	10539
+c1c(OCCCCCCc2cccc(c2CCC(OCC)=O)OCCCC(=O)OCC)cc(cc1Br)C(C)=O	8
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(Br)c2)CO	8
+c1ccccc1COc2c(Cc3c(OC)c(c(c(c3C)OC)OC)OC)cccc2C=O	22
+O(c1c(OCC=C)c(ccc1)C(=O)C)CC=C	155
+CN(C)C(=O)c1ccc(cc1)-c2cnc(c(C(NNC(c3nc(N)ccc3)=O)=O)n2)N	10540
+c12c(CC(OCC)=O)coc1c(ccc2)OC	10541
+c1c(CO)c2c(ccc(OC)c2)cc1	49
+c1(OCCCCCCCCCl)cccc2ccccc12	450
+c1(ccccc1-c2[nH]nc(NC(N)=S)c2)Br	10542
+Nc1nc2c(s1)c(-c3ccccc3Br)[nH]n2	10543
+n1c(oc(C)c1COc2cc(c(CC(C(=O)OC)OCC)cc2)CC)-c3c(cccc3)F	547
+c1c(c(ccc1)-c2c3c(ccc(C#N)c3)n[nH]2)OC	804
+c1(ccccc1-c2noc(c2C(O)=O)C)OC	6
+c12c(c(N)c(C(NCCCC)=O)nn1)cccc2Br	10544
+C=1(OC(=O)c2c(cccc2)N=1)CC	2665
+c1cc(ccc1CCCCC)C(NNC(=O)c2c(cccc2)SCC)=O	1601
+c1cc(ccn1)C=Cc2ccc3c(ccc(n3)NCc4c(OC)cccc4)c2	722
+c1(ccccc1COc2cc(c3c(nc(C)[nH]3)c2)C)C(OC)=O	2712
+c1(ccccc1Cl)-c2cc(O)cc3N(c4c(ccc(C(=O)OC)c4)C)C(=O)CCc23	5
+c1(ccccc1Cl)-c2n3c4ccc(cc4nc(C)c3c(C)n2)O	5
+c1(ccccc1Cl)-c2n3c4ccc(cc4nc(C)c3c(C)n2)OCc5cccc(c5)N	0
+c1cc(ccc1)-c2cc(nnc2Cl)Nc3ccnc(NCCc4c(Cl)cccc4)n3	306
+O=S(=O)(c1ccccc1)C(C#N)=Cc2ccnc(-c3ncn(Cc4c(cccc4)Cl)c3)c2	2593
+c1(ccccc1Cl)Oc2cc(C(C)C(O)=O)c(OC)cc2	3
+c1(ccccc1Cl)Oc2cc(c(C(C)N)cc2)Cl	840
+c1(ccccc1Cl)Oc2cc(C(C(=O)OCC)C)c(OC)cc2	3253
+c1(ccccc1Cl)Oc2ccc(c(CO)c2)OC	41
+NCC(=O)c1ccccc1OC	10545
+c1ccccc1C(C(C(OCC)=O)=CNc2ccccc2OC)=O	10546
+c1(ccccc1Oc2cc(CC)ccc2O)C	5
+C(NNC(=O)c1cc(C#N)ccc1)(=O)c2cccnc2	4739
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(NC(c5cccnc5)=O)nc6sc(cc46)CC)=O	4769
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CCNC(=O)c3cccnc3	2896
+c1nc(ncc1)Cn2c(Br)cc(n2)NC(c3cnccc3)=O	2370
+c1(CNc2cc(ccc2)-n3cnc4c3ccc(C(=O)NCc5cnccc5)c4)cccnc1	2116
+n1c(-c2cnccc2)n(c3cc(c(Br)cc13)C#N)C	3766
+C1CC(CCN1Cc2cnccc2)n3nnc4c(N5CCOCC5)nc(nc34)-c6ccc(cc6)NC(=O)NCCN(C)C	565
+c1(cccnc1Br)CO	269
+c1ccccc1CCCC(O)c2cccnc2Br	1430
+c1cnc(C2CCCC(c3c(cccn3)C)N2CCCCn4ccnc4)c(c1)C	28
+c1cnccc1C=Cc2cncc(C=Cc3cc(Nc4ncccc4[N+]([O-])=O)ccc3)c2	1807
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(O)nccc3	328
+c1(cccnc1OCC(C)F)Nc2c3c(c(C(=O)O)sc3ncn2)C	1
+c1cc(c(SCc2c3ccccc3ncc2)nc1)C(=O)O	3465
+c1cnccc1CSc2ncccc2C(=O)O	10547
+c1(cccnc1N)OC(C)c2c(Cl)ccc(F)c2Cl	161
+c1(nc(nc(C)c1C(NC(CNC(c2cccs2)=O)C(OC)=O)=O)NCCCc3cccc4c3cn[nH]4)C	227
+c1(nc(nc(C)c1C(NC(CNC(c2cccs2)=O)C(OC)=O)=O)NCCCc3cc(O)ccc3)C	227
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCC(Nc4cc(c(C=COC)cc4Cl)OC)=O)=O)O	1417
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCC(Nc4c(Cl)cc(c(OC)c4)C=O)=O)=O)O	39
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCC(=O)Nc4c(Cl)cc(CC=O)c(OC)c4)=O)O	1292
+C1CC(CCC1N(CCCN2C(Nc3cc(ccc23)C=O)=O)C)OC(C(c4cccs4)(c5cccs5)O)=O	28
+C(CNCc1ccc(nc1)Oc2ccc(cc2Br)C(=O)N)c3cccs3	249
+c1cc(OCCc2cccs2)cc(C)c1OCC(OCC)=O	126
+c1ccccc1OC(=O)Nc2cc(OCc3sccc3)c(C#N)cn2	278
+c1(ccn2C=C(NC(c12)=O)CO)C	10548
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C(N(OC)C)=O)ccn3	10549
+C(c1ccnc(-n2ccnc2)c1)(=O)O	10550
+c1cc(ccc1F)-c2coc(C3CCCN(C3)C(=O)c4ccnc(F)c4)n2	30
+Sc1nccc(SC)c1C	4455
+c1cc(ccc1)CN2CCC(CC2)(c3c(ccnc3)CO)O	1239
+Clc1c(ccnc1)CNc2ccc(cn2)C(=O)OC	811
+O=S(=O)(c1ccccc1)n2c3ccc(cc3c4c2CCN(C4=O)c5cnccc5C)F	10551
+c1cc(ccc1N2CCN(c3c(ccnc3)C)C2=O)F	2626
+c1(ccncc1N2CCNC2=O)C	3461
+c1cc(ccc1C(Nc2c(CNC(=O)c3oncc3)cc(F)c(Nc4[nH]nc(c4)C5CC5)n2)C)F	10552
+c1cc(ccc1-c2c(C)ccc(NC(c3cocc3)=O)c2)C(OC)=O	10553
+c1ccccc1-c2c(C(C)C)nc(N3CC(N(C(=O)c4ccoc4C)CC3)C)c(c2)C#N	1859
+c1cc(ccc1F)CNC(=O)c2sccc2C	227
+c1ccccc1CNC(=O)c2sccc2C	227
+c1cc(ccc1-c2cc3c(c(n2)O)ccs3)OC	10554
+c1(cnc(C(CCCCC#Cc2c(cccc2)Cl)=O)o1)-c3ncccc3	121
+O=Cc1cnc(cc1Cl)Cl	1639
+c1c(I)cc(c(Nc2c(cnc(Cl)c2)C(=O)OCC)c1)F	179
+c1ccccc1Nc2cc(Cl)ncc2C(=O)OCC	179
+c1cc(ccc1)Oc2cc(ncc2C(OCC)=O)Cl	242
+c1cc(ccc1OC)CNc2c(C(OCC)=O)cnc(Cl)c2	105
+C(C)OC(c1cnc2ccc(cc2c1)OC)=O	4272
+c1c(Cl)c(c(cn1)Cl)CO	41
+c1cc(ccc1S(=O)(=O)Nc2cncc(-c3sc(cc3)-c4cc5c(cc4)C(N(C)C5)=O)c2)F	322
+c1(cnccc1)-n2cc(c3ccccc23)CCC(=O)O	3
+c1(cnccc1)-n2cc(c3ccccc23)CCC=O	578
+c1(cnccc1)-n2cc(c3ccccc23)CCCO	237
+[N+](=O)(c1c(NCCOCCCc2cccnc2)c3ccccc3n4c1nnn4)[O-]	2048
+c1cnc(C(=O)Nc2cc(c(-c3cccnc3)nc2N)-c4c(cncc4)F)cn1	1285
+c1(cnccc1-c2cc3NC(Nc3nc2-c4cccnc4)=O)F	3100
+c1(c(nc(N)c(c1)N)-c2c(cccc2)F)-c3c(cncc3)F	13
+c1(cnccc1-c2c(-c3cccnc3)nc(N)c(c2)N)F	13
+c1(cnccc1NC(c2cnc3c(Nc4nc(ccc4)Br)cc(Cl)nn23)=O)F	3599
+c1(nc(cs1)-c2cc(Br)c(c(Br)c2O)O)C(O)=O	6
+C(O)c1c(c(sc1)C)C	4267
+c1(n(C)nc(CC)c1Cl)CO	194
+C(c1c(n(CCO)nc1C)C)C(=O)NCc2ccc(cc2Cl)F	647
+c1(n(CCCC(=O)O)nnn1)C	4
+c1(n(c2cc(cc(C)c2n1)C(=O)O)Cc3ccc4c(CCc5c(C4=CC#N)cccc5)c3)CCC	1
+c1c(F)cc(cc1CC(NC(=O)Cn2c3COCc3c(C(OC)=O)n2)c4c(-c5cc(c(cc5)F)C(N)=O)cccn4)F	1114
+O(C)c1c(N)cc(Br)nc1C(=O)O	1
+c1c(cnc(c1)NC(c2nc(cc(C#N)c2)CC)=O)F	10555
+c1cc(ccc1)COc2c(C)nc(Br)c(c2C)C	1900
+C(CC=C)CC(c1n2c(c(n1)C)C(NC(=N2)Cc3ccc(c(OC)c3)OC)=O)C(C)O	100
+c1(nc(CNc2nc(nc(Cl)c2NC=O)N)ccc1)N3CCCC3=O	40
+OCc1nc(Cl)ccc1	59
+c1(nc(N)nc(C)n1)-c2cccnc2Nc3cccc(c3)O	3147
+c1cc(ccc1)OC(Nc2nc(CN(C)C(c3nccnc3C)=O)cs2)=O	810
+c1ccccc1NC(=O)c2cccc(N3Cc4c(CC3)nc(SC)nc4)n2	187
+c1(nc(N2CCc3c(C2)cnc(SC)n3)ccc1)C(=O)O	1
+c1cc(ccc1)COc2c(c(cc(C)n2)O)C(=O)OCC	1424
+c1cc(ccc1)OC(C)c2ccc(C(NCc3c(cc(nc3O)C)C)=O)nn2	81
+c1cc(ccc1C(NCc2c(nc(C)cc2C)O)=O)C(C)OCC	14
+c1cc(ccc1C(C)CCO)C(NCc2c(nc(C)cc2C)O)=O	14
+c1ccccc1C(n2c(C)c(C(NCc3c(O)nc(cc3C)C)=O)c4c2cccc4)C	56
+c1ccccc1C(n2c3nc(Cl)ncc3c(c2C)C(=O)NCc4c(cc(nc4O)C)C)C	56
+c1cc(ccc1)C(=O)NC(=S)Nc2cc(Br)cc(C(OC)=O)n2	1780
+c1(nc(cc(c1)COC)Br)C	49
+c1(nc(cc(CO)c1)Br)C	88
+c1c(nc(c(C)c1)CO)C#N	59
+n1c(C)c(c(nc1NCCCc2cc(O)ccc2)C)C(=O)NC(C(O)=O)CNC(=O)c3sccc3	4
+n1c(C)c(c(nc1NCCCc2cccc3c2cn[nH]3)C)C(=O)NC(C(O)=O)CNC(=O)c4sccc4	4
+c1cc(cc(F)c1Oc2cc3c[nH]nc3cc2)Nc4nc(N)nc(c4)Cl	73
+C(C)OC(c1csc2cc(Oc3nc(N)nc(Cl)c3)ccc12)=O	185
+c12cc(Oc3nc(N)nc(Cl)c3)ccc1[nH]cc2	185
+c1ccccc1-c2nc([nH]c2)C3OCCN(c4nc(nc(Cl)c4)N)C3	54
+c1ccccc1Nc2cc(nc(N)n2)Cl	73
+c1cc(ccc1Nc2nc(N)nc(c2)Cl)C	73
+c1cc(ccc1CO)Nc2nc(N)nc(c2)Cl	73
+c1cc(ccc1Oc2cc(C)ncc2)Nc3nc(N)nc(c3)Cl	73
+c1ccccc1CNc2cc(nc(n2)N)Cl	40
+c1cc(ccc1NC(=O)C)S(=O)(=O)Nc2cc(Cl)nc(n2)NCC	570
+Nc1nc(nc(N)c1N)-n2nc(c3c2cc(cn3)F)Cc4ccccc4F	193
+c1(nc(nc(OC)c1)NC(=O)NS(=O)(=O)c2c(C(OC)=O)ccc(CCNC(=O)OC)c2)OC	10556
+c1(nc(nc(OC)c1)NC(NS(=O)(=O)c2c(cccc2)C(O)=O)=O)OC	1
+c1(nc(nc(c1)C=O)OC)C	2714
+c1cc(ccc1OC)Cn2cnc3c(nc(N)nc23)Cl	5023
+c1ccc2c([nH]c(C(NC(=S)N)C)n2)c1	2806
+c1(nc2c(c(C)c1)C(N(C(=O)N2C)CCCCC(O)C)=O)C	59
+c1cc(ccc1)C2CN(CC2)c3c4c(ccc(c4)N5CCCC5=O)nc(C)c3	264
+c1cc2c(cccc2)nc1COc3cc(CO)ccc3	412
+c1cc(ccc1OCc2ccc3ccccc3n2)CC(=O)OCC	412
+c1cc(ccc1OCc2ccc3ccccc3n2)CO	412
+c1cc(ccc1OCc2nc3c(cc2)cccc3)OCCC#N	412
+c1cc(ccn1)C#Cc2ccc(cc2)OCc3nc4c(cc3)cccc4	412
+c1(nc2c(cn1)cccc2)COc3cc(N)ccc3	0
+O=C(O)c1oc2ccc(cc2c1)Oc3nc4c(s3)cccc4	1
+c1(nc2c(nc(Cl)c(C#N)c2)n1C)C	1453
+c1(nc2cc(c(Cl)c(NC(=S)COC)c2nc1OC)Cl)OC	199
+c1(nc2ccc(N)cc2cn1)N	0
+c1(Cl)c(c(c2ccccc2n1)NCC#C)N	13
+c1cc(ccc1F)-c2cc(on2)CNc3c([N+]([O-])=O)c(Cl)nc4ccccc34	2347
+c1cc(ccc1[N+]([O-])=O)N(c2c3c(nc(C)n2)cccc3)C	860
+O=Cc1ncc(C)cc1C	178
+n1cc(Cl)nc(Cl)c1C(=O)C	4404
+n1c(ncc(c1CCc2ccccc2C(C(=O)N)C)Cl)Cl	801
+Nc1cc(Cc2cnccc2)cnc1NCCCc3ncc(cc3C)Br	13
+CC(C)(c1cc(n(-c2ccc(cc2)C)n1)NC(=O)Nc3c(Cl)c(Cl)c(cc3)Oc4ccnc(n4)Cl)C#C	446
+c1cc(ccc1Oc2ncccc2-c3nc(N)ncc3)N	136
+c1cc(-c2ccccn2)c(OC)cc1-c3nc4n(cccc4)c3	440
+C1C(=Cc2ccccc2OC1)C(Nc3ncccc3)=O	10557
+c1cc(ccc1O)Nc2ccccn2	781
+c1cc(ccc1-c2ccc3n(c(cn3)C#Cc4cc(ncc4)Nc5ncccc5)n2)C(N6CCOCC6)=O	346
+c1cc(ccc1CO)CNc2ccccn2	811
+c1cc(ccc1-c2nc3ccccn3c2)F	440
+c1cc(ccc1OC(Nc2ccccn2)=O)[N+]([O-])=O	278
+c1cc(ccc1)COc2cc(Nc3ncccc3)ncc2	834
+c1cnccc1-c2ccc(cc2)C(C(Nc3ncccc3)=O)CC4CCCC4	142
+C1C2(CCC1(CCC2)NC(=O)c3nc(C)cnc3)C(Nc4ncccc4)=O	142
+c1cccn2c(-c3nc(Cl)ncc3Cl)cnc12	10558
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4ccc(cc34)C(O)c5c(nccc5)OC	2988
+c1(C(C=O)C)ncccc1Cl	24
+c1(ncccc1OCCN(CC)CCNC(c2nc3n(cc(cc3)I)c2)=O)F	2588
+c1(ncn(-c2c(F)cc(N)cc2OC)n1)C	0
+c1c(c(ccc1F)C2c3nc(nc(c3CC2)NC(C)CCCOc4cc([N+]([O-])=O)ccc4-n5cnc(C)n5)Cl)F	40
+c1cc(ccc1F)C2CCc3c2nc(Nc4ccc(-n5nc(nc5)C)c(OC)c4)nc3NC	55
+c1(ncn(n1)-c2ccc(N)cc2OC)C	0
+c1(ncn(n1)-c2ccc(cc2OC)C#CCCCC=O)C	24
+c1cc(ccc1F)N2C(c3c(cccc3N=C2C(CC)Nc4ncnc(N)c4-c5nn(cn5)C)Cl)=O	40
+c1c2c(sc1C(=O)OCC)ncnc2Cl	10559
+c1(nn(c2cc(ccc12)N)Cc3ccc(C(=O)OC)cc3OC)OC	0
+c1n(nc(c1)N)CC(Nc2cccc(c2)F)=O	161
+c1(nn2c(cccc2Br)c1N)CC	209
+c1cc(ccc1Oc2ccnc3c2ncc(c3)OC)Nc4c5c(c(Cl)nn4)cccc5	1443
+c1(nncc2c1ccc(C)c2N)O	0
+C(CCc1nnn[nH]1)(c2cc(c(cc2)Cl)Cl)=O	214
+c1(nnn[nH]1)CCC(=O)O	4
+Oc1ccccc1C=Cc2cc(no2)CC	10560
+c1(nsc2ccc(N)cc12)NCCNC(=O)c3ccccn3	0
+c1(oc(C=O)cc1)CCCCCCCC(=O)O	4
+c1c(ccc2oc(C(=O)OCC)cc12)O	5
+C(C)C(CC)(c1cc(c(cc1)O)C)c2cc3c(cc(C(=O)OCC)o3)cc2	4438
+c1cc(ccc1-c2c(C(NC)=O)c3cc(c(cc3o2)N(C)S(=O)(=O)C)C4CCCN(c5nc6c(C#N)cccc6o5)C4)F	2600
+s1c(-c2c3ccccc3ccc2)c(nc1C(O)=O)C	6
+n12cc(COC(C)=O)sc1cnc2	10561
+c1cc(ccc1F)C(=O)Nc2c(nc(Nc3cc4cccnc4cc3)s2)C(N)=O	3154
+C1N(C(N(C1O)c2sc(C(C)Oc3cc(c(Cl)cc3)Cl)nn2)=O)C	88
+c1-2[nH]c3ccccc3c1Cc4c-2ccc(NCC)c4	15
+C(C)N(CC)c1cc2Cc3c([nH]c4c3cccc4)-c2cc1	15
+c1c2n(cc1C#N)-c3ccccc3N(CC)C2=O	1453
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C)Cc4c5cc(O)ccc5[nH]n4	101
+n1c2cc(nc(N3CC4C(NCC4)C3)c2ncc1)Cl	5024
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4C(CCC(C(=S)N)C4)C	199
+C1C2CCC(CN1)N2S(=O)(=O)CC	5024
+O(CC)C(OCC)C(N(Cc1cccc2cccnc12)C(C(C)N)=O)C	2139
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4C5CN(c6c7c(nccn7)cc(n6)Cl)CC5CC4	10562
+c12-c3c(cccc3)C(c1cccc2)COC(N4CCC(CC4)(CO)c5ccc(cc5)Br)=O	21
+C1CC(CCO1)NC(=O)c2c3c(cc(C(C)N)n2)cccc3Cl	2769
+n1ncn(c1)-c2ccccc2CNC(=O)C3N(C(C4(c5ccccc5-c6c4cccc6)O)=O)CCC3	9
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C4=Nc5cccc(C)c5C(=O)O4	2665
+CC(C)C(=O)Oc1cc2c(cc1)n[nH]c2CC(N)C	2769
+c1cc(ccc1)CC(C(=O)NCC(O)=O)N	2139
+Clc1cc(cc2cc[nH]c12)F	1561
+c1c(cc2cc[nH]c2c1CC)Br	1561
+c12C(=O)c3c(ccc(Br)c3)-c1nc(cc2)C=O	178
+N#Cc1ccc2C(=O)c3c(ccc(Br)c3)-c2n1	4676
+C1(CCOc2ccccc12)CC=O	24
+c1cc(c(CO)c(CO)c1)C	98
+c1ccccc1COc2cc(O)c3c(Oc4ccccc4C3=O)c2	22
+c12C3=C(C(CCC3(C)Cc1cc(cc2)O)=O)Br	5
+n1(c2c(c(C=O)n1)C3CCC2C3)C	178
+c12CC(C(O)=O)NC(CCC)c1[nH]c3ccccc23	4
+C1c2cc(c(cc2CC13C(NC(=O)N3C)=O)N)N	0
+c12CCC(Cc1c(N)ccc2)O	100
+c1ccccc1OC(Nc2cccc3CCC(O)Cc23)=O	90
+n1cccnc1N2CCN(CC2)C3CCc4cccc(OC)c4C3	85
+c1cc2c(CCC(NC(CC)=O)C2)c(N)c1OC	0
+C12CCC3(C)C(CCC3C1CCC=4CC(OC)=CCC2=4)=C	10563
+n1cc2c(CCCC2O)c(Br)c1	652
+C1CCCc2c1cc(c(N)n2)N	13
+c1ccccc1COC(NCC2Cc3c(c4c(CCC4)cc3Cl)O2)=O	101
+c1c2c(CCNC2C)c(Br)cc1	1218
+c1cc(ccc1OC)S(=O)(=O)N2c3c([N+](=O)[O-])cc(cc3CC2)Br	416
+c1c2c(CCc3ccccc3C2=C4CCC(CC4)NC(=O)OCc5ccccc5)ccc1	904
+C1Cc2ccccc2C(c3ccccc13)C(C(=O)O)C(=O)O	3
+c1cc(ccc1C(=O)N2c3c(cccc3)Cc4c(C2)cccc4)[N+]([O-])=O	448
+c1cc(ccc1C(=O)N2Cc3n(ccc3)Cc4c2ccs4)[N+](=O)[O-]	4028
+c1cc(ccc1Cl)CNC(C2=CN3c4c(cc(cc4N(C)C(C3)=O)I)C2=O)=O	1267
+C1(N(C(N(c2c1cccc2)CC(=O)Nc3cc(Cl)c(OC)cc3OC)=O)CC(=O)O)=O	4
+c12OC(=O)C3=C(C(C(C(=O)Nc4[nH]nnn4)=CN3C)=O)c1cccc2	10564
+c12OC(=O)C3=C(C(C(=CN3C)C(=O)O)=O)c1cccc2	108
+c12OCC(C)N3c1c(c(N)c(c2F)F)C(C(C#N)=C3)=O	10565
+c1ccc2c(OCCCC2N)c1	840
+O=S(=O)(n1c2c(cc1)c3CN(C)CCOc3cc2)c4ccccc4	367
+c1c(cc2c(c1)OCCO2)O	1437
+c12OCOc1cc3C4(c5c(N(C4=O)CC(=O)O)cccc5)COc3c2	3
+c12OCOc1cc3C4(C(N(CCC=O)c5c4cccc5)=O)COc3c2	24
+O(C)C(c1c(C(O)=O)c(OCc2cc3c(OCO3)cc2)ccc1)=O	1
+c12[nH]c(C)cc1cc(cn2)O	390
+c12c(NC(C1=Cc3[nH]c4CCCCCc4c3CCC(=O)O)=O)cccc2-c5cccc(F)c5	292
+c12c(C(C(N1)=O)=Cc3[nH]c4CCCCCc4c3CCC(=O)O)cc(cc2)Br	292
+NC(=S)c1cc2c([nH]1)c(cc(c2)Oc3cnc(cc3)COC)OC	742
+c12[nH]c(cc1cc(Oc3cnc(cc3)COC)cc2OC)C(=O)O	6
+c1ccccc1-c2cc(C)c3[nH]c(CCC)nc3c2	495
+c1ccccc1C=C2C(=O)c3c(c4c(c(ccc4[nH]3)Cl)Cl)CC2	1103
+c12C(CNc1cccc2)C	10566
+c12c(c(CC(NC(=O)C)CO)c[nH]1)nccc2	44
+[N-]=[N+]=NCc1ccc2c([nH]cn2)c1	925
+c1n(c2c(ccc(N)c2)n1)-c3nc(Cl)cnc3	10567
+c12[nH]cnc1ccc(N)c2	0
+c12[nH]cnc1ccc(CO)c2	217
+c1ccccc1N(NC(c2c3ccccc3nc(c2Cn4cnc5c4cccc5)-c6ccccc6)=O)C(OC)=O	10568
+c1cc(ccc1S(=O)(=O)Nc2nccs2)-c3nc4c(cccc4)[nH]3	10569
+c1cc(ccc1-c2nc(co2)C(OCC)=O)Cn3cnc4ccccc34	1947
+c1ccccc1C2=CCN(CC(=O)Nc3cc4c(-c5nc(O)c6c(cccc6)c5C4)cc3)CC2	10570
+c12c(-c3c(cccc3)C1)ccc(c2)CCC(O)C	100
+c1c2c(CCN2)c(Br)cc1	931
+c1c2cnc(Cl)nc2c(Br)cc1	10571
+c1ccccc1CC=2C(N3CCSC3=NC=2C(CC)N)=O	1764
+C1(c2c(C(=O)N1C(c3cc4c(nc3-c5sc(C)nn5)c(ccc4)Cl)C)cccc2)=O	10572
+c1cc(ccc1)C2C(N)CCC2	45
+CC(C)(c1ccccc1)C(NC(=O)c2csc(-c3n(ncc3)C)c2)CN	45
+c1ccc2c(c1)C(=O)N(C2=O)CC3NCCCC3C	62
+c12c(C(=O)N(C1=O)CC=CCCCC(O)=O)cccc2	4
+C(C=CCCCC(=O)O)N	1764
+O1CCOC1(CCCCCCN)C	45
+c12c(C(=O)N(C1=O)CCCCCCCCCCCCP(O)(O)=O)cccc2	228
+c12c(C(=O)N(C1=O)CCCCCCCCCCCCP(OCC)(=O)O)cccc2	228
+C(CCc1cc2c(cccc2)nc1)CCCN	45
+c1cc(ccc1-n2cnnn2)OCCCCN	45
+c1cc(ccc1N)OCCCCN2C(c3c(C2=O)cccc3)=O	0
+c1(F)cc(cc(F)c1)OCCN(CCCN)C	45
+C1(c2c(C(=O)N1CCCN(S(=O)(=O)c3ccc(cc3)C)CC(F)(F)CCN4C(c5c(C4=O)cccc5)=O)cccc2)=O	896
+c1cc(ccc1F)Cc2cnc3c(N(CCN)C(=O)C(C(=O)NCCOCC)=C3O)c2	45
+C(c1ccc2ncccc2c1)n3nnc4c3nc(C(=NOCCN)C)cn4	45
+c12c(C(=O)N(C1=O)CCc3n(CCC)nc(c3)C#N)cccc2	331
+c12c(C(=O)N(C1=O)CCc3cc(nn3CCC)C(=O)O)cccc2	6
+CC(C)(Cn1c2c(nc1CN)cnc3cccnc23)O	45
+c12c(C(=O)N(C1=O)c3c(cc(Cl)c(N)c3)F)cccc2	0
+c12c(cccc1F)n(Cc3c(F)cc(-c4cnn(C)c4)cc3)cc2C(OC)=O	962
+C(Sc1c(ccc(F)c1)F)CN2CC(CC(=O)OC)C(CC2)CCC(=O)c3c4c(ccc(OC)c4)ncc3F	155
+c1ccccc1COc2nc(cc(OC)c2CN3C(=O)c4c(Cl)c(cc(Cl)c4CC3)Br)C	4354
+n1c(c(ccc1NCc2c(Cl)cccc2)Cc3c[nH]c4c3cccn4)F	10573
+C1CC(CCN1C)c2c[nH]c3c(C)cc(cc23)OC	671
+c12c(C)ccc(N)c1[nH]cc2C#N	13
+CC(C)c1c(ccc(C(=O)n2ccc3c([N+]([O-])=O)ccc(C)c23)c1)OCc4ccccc4	10574
+c1cc(ccc1CNC(c2ncnc3scc(C)c23)=O)Cl	81
+C12=C(C(C(=C(OC)C1=O)OC)=O)CC(C2)(C(NC)=O)CCCCCCCCO	1450
+c12c(CC(C1)C3NC(=O)C(N(C3=O)Cc4ccccc4C=O)C(CC)CC)cccc2	39
+c12c(CC(C1)C3NC(C(C(CC)CC)N(C3=O)Cc4ccccc4N)=O)cccc2	0
+C(C(=O)O)CC1CCc2c(C1)nc3c(CCCN3)c2	3
+c12cccc(OC)c1occ2CCO	44
+O(c1ccc(O)c2c1CCC2)C	5
+c12cc(c(I)cc1CCC2)CO	41
+c1(cccc(F)c1)N2C(c3c(cc4c(CCC4)c3)C2=O)O	5025
+c12c(CCC1)cc3c(C(=O)N(C3=O)c4cccc(F)c4)c2	668
+c1c2c(N(CC2)c3c4c(CCC4)nc(-c5ccc(s5)Cl)n3)cc(c1)O	860
+c12c(CCC1Cc3nc[nH]c3)cc(c(CO)c2)O	41
+c12c(CCC1Cc3nc[nH]c3)cc(c(c2)C=O)O	5
+c1cc(ccc1N(C)C(C2c3ccccc3CCC2)=O)OC	3194
+Nc1cccc2nc(CN(C)C3c4c(CCC3)cccn4)[nH]c12	13
+Clc1c2c(cc3CCN(CCc13)C(OCC)=O)CCC(N2)=O	10575
+[N+](c1cc(Br)c2[nH]ccc2c1)([O-])=O	1452
+c12CCc3ccccc3C(c1cccc2)C(C(=O)OCC)C(=O)O	3
+c1ccccc1CCCC(C(C)O)C(NC(c2c(nc(nn2)Cc3c4ccccc4ccc3)O)C)=O	9
+c1cc(ccc1OCc2ccccc2)-c3c4ccccc4nc5CCCCc35	699
+c1cc(ccc1OC)COc2c3ccc(c(Cl)c3nc(Cl)c2)OC	260
+c1cc(ccc1C(C)(C)c2c[nH]c3cccc(Cl)c23)OC	1263
+Nc1cc2c3c(Cl)ccnc3[nH]c2cc1	0
+N(C)c1cc2c3c(Cl)ccnc3[nH]c2cc1	695
+c12ccc(C)c(c1cnnc2Nc3cccc(C(=O)C)c3)I	1443
+C1(Cc2cccc(F)c2N1CCF)=O	1562
+c12cccc(F)c1NCC2	931
+c12nc(NC(=O)CN3C(N(c4c3cccc4)c5ccccn5)=O)ccc1CC6(c7cccnc7NC6=O)C2	142
+c1cc(ncc1Br)C(Nc2c3c[nH]nc3cc(-c4c5cc[nH]c5ccc4)c2)=O	187
+c1cc(ccc1)-n2ncc3c(cc(cc23)C)N	2993
+C(CC1c2c(NC(=O)C1)cccc2)OC	21
+c12c(O)c(C#N)cnc1cc(c(OC)c2)F	1014
+c1c(Cl)c2c(c3c(c(OC)c2)cccn3)nc1CO	398
+c12c(OC)ccnc1c(N)c(Cl)cc2	13
+c12OCC(Cc1c(ccc2)O)C	241
+C(COc1ccc2cccnc2c1)CNCC3Oc4cc(ccc4OC3)OC	132
+c1cc(ccc1S(=O)(=O)OCC2COc3ccc(cc3O2)OC)C	36
+c1c2c(OCCO2)cc(C(c3c(ccc(I)c3)Br)=O)c1	222
+c1(cc(c(cc1)Cl)C(c2cc3c(cc2)OCCO3)=O)I	222
+c1cc(ccc1-c2cn(CC)c3cccc([N+](=O)[O-])c23)C	550
+N1(CCc2ccc(-c3cn(c4nccc(N)c34)C)cc12)C	0
+Nc1cc(ccc1O)Oc2c3c([nH]cc3)ncc2	0
+C(c1c(Sc2c3c([nH]c2)cccc3)cccc1)C(O)=O	4
+c12c([nH]cn1)cc(N)cc2C(=O)OC	0
+c12c3c(OCC3)ccc1c(c[nH]2)CC	1283
+c12c(c(C)cc(N)c1)ncc(Cl)c2	0
+c12c(c(C)cc(c1)Br)ncc(c2)F	10576
+c12c(c(CC(N)CO)c[nH]1)nccc2	524
+c1ccccc1COC(=O)NCCCNc2c3c(nc(c2[N+]([O-])=O)Cl)cccc3	105
+c1cc(ccc1-c2c3c(nc(C#N)c2)cc(cc3)C)F	699
+c1(c(c2[nH]ccc2cc1Br)C(=O)O)F	1452
+O=C1c2ccccc2C(=O)N1CCCN(c3c(F)cc(C4=CC(=O)c5c(c(F)cc(c5N)F)O4)cc3)C(C)=O	988
+c12c(cccc1I)c(ccn2)O	1220
+c1c(c(ccc1)Nc2[nH]c3c(O)cc(cc3n2)C#N)Br	390
+c1c(c(c2c(c1)C3=CC(=O)CCC3(CCCC)C2)C)OC	2992
+c1c(c(c2CC3(CCCC)CCC(C(=C3c2c1)C)=O)Cl)OC	10577
+C1N2C(CN(CCc3cc(OC)c(cc3)C#N)C1)COC(c4c(c5COC(c5cc4)=O)C)C2	61
+c12c(Cl)ccc(N)c1nccc2	13
+c12c(O)c(cnc1cc(c(OC)c2)F)C(=O)O	6
+c1(C)c(N)cc2c(c(ncc2)O)c1	106
+c1cc(ccc1OC)CN2C(=O)c3c(cc(cc3)F)C=C2	5022
+c12c(c(ncn1)Nc3cc(N)cc(OC)c3)scc2	0
+c1cc(ccc1O)Sc2c3c(Br)cccc3nc4c2cccc4	5026
+c1cc(ccc1Cn2cc3c(c(nc4ccccc34)O)n2)OC	10578
+c1cc(ccc1)-c2c3c(ccc([N+](=O)[O-])c3)[nH]c2	550
+c1cc(ccc1-n2c3ncnc(Cl)c3c(c2)Br)C	5005
+c12c(cc(-c3cc(ccc3C)F)cc1)cnc(c2)Nc4nc(ccc4)OC	834
+c12c(cc(-c3cc(ccc3C)F)cc1)cnc(c2)Nc4nc(O)ccc4	104
+c12c(cc(C(NCc3cnccc3)=O)cc1)ncn2-c4cc(ccc4)NC(C)=O	14
+c12c(cc(cc1sc(Br)n2)CO)F	49
+c1cc(ccc1C(=O)Nc2ccc(c(c2)CNc3cnc4[nH]c(C(=O)OC)cc4c3)C)CN5CCN(CC5)C	3118
+c12c(cc(C(=O)OC)[nH]1)cc(N)cn2	13
+c12c(cc(C(=O)OC)[nH]1)cc(CN)cn2	388
+c12c(cc(c(c1)OC)COC)cc(cc2)Br	49
+c12c(cc(C(NCc3cnccc3)=O)cc1)ncn2-c4cccc(N)c4	106
+c12c(cc(c(c1)OC)C=O)cc(cc2)Br	39
+c12c(cc(cn1)CO)nc(s2)-c3c([N+]([O-])=O)cccc3	88
+Clc1c(Cl)cc2c(c1)OCC(=O)N2CC(=O)O	3
+N(C(NC1C(CN(C)C2CCc3c(C2)ccc(F)c3)CCCC1)=O)c4cc(-c5n(C)nnn5)cc(c4)CC	238
+c12c(cc(N)cc1)N(C(=O)O2)C	0
+c1ccccc1CC(C(OCC)=O)NC(Cn2c3c(cc2)cc(cc3)[N+](=O)[O-])=O	188
+c12c(cc([N+]([O-])=O)cc1)ccn2CC(=O)O	4
+c12ccccc1cc(N)cc2C(OC)=O	0
+Nc1cc2c(nc(o2)C)c(c1)O	0
+c1(C)c(N)cc2c(c1)OC(C3=C2CCNC3)=O	0
+c1cc(ccc1F)-c2cc3OCOc3cc2Br	11
+c1cc(ccc1NCc2ccc3cc(O)c(C(O)=O)cc3c2)C(C)C	208
+c1cc(ccc1)C(COC(c2c(cc3c(c2)cc(C(=O)OC)cc3)O)=O)=O	10579
+c12c(cc(C=C)c(c1)OC)cc(cc2)Br	443
+c12c(cc(CO)c(c1)OC)cc(cc2)Br	88
+n1(ccnc1)-c2cccc(-n3c4ccc(cc4nc3)C=NOC)c2	10580
+c12c(cc(C=O)cc1)ncn2-c3cccc(c3)Br	39
+c1ccccc1COc2c(cc(cc2)-n3c4c(cc3)c(cc(F)c4)Br)F	1194
+c12cc(cc(c1cccc2)CO)CCOC	98
+c1(cc2c(c(c1)CO)cccc2)Br	98
+c1(cc2ccccc2c(COC)c1)Br	49
+c12c(cc(C(=O)O)cc1sc(Br)n2)F	1
+c12c(F)cc(C=O)cc1sc(Br)n2	39
+c12c(cc(COC)cn1)nc(s2)-c3c([N+]([O-])=O)cccc3	382
+Nc1c2cccnc2c(cc1)C#N	0
+c1c2ccc(cc2cc(c1)C(O)=O)C(C)=O	1
+Nc1ccc(F)c2cccnc12	13
+c12c(ccc(N)c1OC)CCC2=CCN	3642
+Nc1ccc2c(C(CCNC(C)=O)CC2)c1OC	191
+c12c(ccc(c1)O)CCC2CCNC(C)=O	5
+C(c1c(ccc2cc(OC)ccc12)O)C=C	423
+c1(C=O)cc2c(cc1)cco2	1766
+c1cc(ccc1[N+]([O-])=O)Cc2cn(C)c3ccc(C(=O)OC)cc23	10581
+c1c(ccc2-c3c(cccc3)Cc12)C	3072
+C(C(C)=O)=Cc1cc2c(cc1)-c3c(cccc3)C2	10582
+Fc1cc(cc(F)c1)-c2c(CC)nc3c(cc(cc3)F)c2O	796
+c1c2c(ccc1OCCCl)C(CC2)C(OC)=O	267
+c12c(nc(c(c1)C(C)N)-c3ncccc3)cccc2Cl	45
+C1(=O)c2ccccc2C(=O)N1CCCCC(C#N)(N3C(c4ccccc4C3=O)=O)CF	1656
+O=C1c2ccccc2C(=O)N1C=Cc3cc4c(cc3)ncc5nc(n(CCCN6C(CCC6)=O)c45)CCOC	5027
+c1cc(ccc1CCO)C=CN2C(=O)c3ccccc3C2=O	5027
+C1(c2ccccc2C(=O)N1CCCOc3ccc(F)cc3[N+](=O)[O-])=O	8
+C1(c2ccccc2C(=O)N1CCCOc3cc4ccc(O)nc4cc3)=O	8
+C1(c2ccccc2C(=O)N1CCCOc3cccc(C4N(CCC4)c5ccn6ncc(C(OCC)=O)c6n5)n3)=O	1923
+O=C1c2c(cccc2)C(=O)N1CCCN3CCN(CC3)Cc4ccccc4	28
+c1cc(ccc1Cl)CCNCCCN2C(=O)c3ccccc3C2=O	132
+c1cnccc1OCCCN2C(c3ccccc3C2=O)=O	8
+c12c(C(=O)N(C1=O)CCCCOc3ccc(cc3)[N+]([O-])=O)cccc2	8
+c1ccccc1C(c2ccccc2)N(C)CCN(CCCCN3C(=O)c4ccccc4C3=O)C	28
+c12c(cccc1)C(=O)N(C2=O)CCCCC(c3occc3)O	3627
+c12c(C(=O)N(C1=O)CCCCCCC(=O)C)cccc2	1965
+c1cc(ccc1SC(C#N)(CCCCCN)c2ccc(OC)c(c2)OC)C	45
+O(c1c(C)cccc1)CCCCCCCCN	45
+C(CN)CCCCCCOc1cc(F)ccc1	45
+c1(OCCCCCCCCN)cccc2ccccc12	45
+c12c(cccc1)C(=O)N(C2=O)CCCCC=O	24
+CCn1c(c2c3ccccc3nc(N)c2n1)CCCCN	45
+CN(C)C(=S)Oc1ccc(cc1)CCCCN	45
+c1c2c(oc1CCCCN)cc(cc2)C(=O)OCC	45
+O=S(=O)(c1c([N+]([O-])=O)cccc1)N(CCCN)C(C)C	45
+c1cc(ccc1CCN(CC)CCCN)Cl	45
+c12c(c(F)cc(F)c1OC(c3cc(F)c(NCCCN)cc3)=CC2=O)N	45
+C(N)CCSc1ncco1	45
+c1cc(ccc1CCCN)CCCCC	45
+c12c(C(=O)N(C1=O)CCN3c4cc(cnc4C(=C(C(=O)OCC)C3=O)O)Cc5ccc(cc5)F)cccc2	3380
+C(CN(Cc1nc2c(cc1)cccc2)C)N	45
+O=C1c2ccccc2C(=O)N1CCSCc3oc(CO)cc3	3155
+c1c(C)nc(CCN)cc1	45
+CC(C)COc1nc(ccc1-c2c(F)ccc(OC)c2)CN	45
+c1cc(ccc1)COC(N2CC(C(CC)C2)Nc3c(cnn4c3cc(-c5cnc(CN)cc5)c4)C(=O)N)=O	45
+c1(cc(CN)no1)-c2cccnc2	45
+O=S(=O)(c1cccc2cnccc12)Oc3cc(C)cc(c3)OCCCON	670
+N(c1cc([nH]n1)-c2cc(ccc2)OC)C=C3c4ccccc4NC3=O	4604
+c1cccc2c1C=Cc3ccccc3C2O	488
+c12c(cccc1)CC(C(O)=O)C(N2)=O	4
+c12c(cccc1)CC(C2)Nc3nc(nc(n3)NCc4ccc(cc4)C(=O)Nc5ccccc5N)N	67
+c12c(cccc1)CC3OCC(N(CC(O)=O)C23)=O	3
+c12c(cccc1)Sc3c(cccc3)C2=CC(NCCCCCC(=O)Nc4c(cccc4)N)=O	33
+c12c(cccc1)Sc3c(cccc3)C2=CC(NCCCCCC(=O)O)=O	4
+c12ccccc1c(CC(=O)O)nn2Cc3ccc(nc3)NC(c4cc5ccccc5cc4)=O	3
+c12ccccc1c3c(cccc3)n2CC(O)CNCc4ccco4	122
+C1Oc2c(C1=O)c3c(cccc3)cc2	214
+O=C1c2c(C(=O)N1CCOc3cc4c(cc3)cccc4)cccc2	332
+c1cc(ccc1NC(NCC2OCCN(Cc3cccc4c3cccc4)C2)=O)Cl	171
+c12c(n(CCO)c(N3CCCNCC3)n1)cccc2	665
+c12c(cccc1)n(c(N3CCCNCC3)n2)CCOCC	215
+c1cc(c(cc1CN2C(CCNc3nc4c(c(O)c3)cccc4)CC=CC2)Cl)Cl	554
+c1(Cl)c2c(N(C(C2)=O)C)ccc1	1562
+O=C(O)c1c2c(cccc2F)n(Cc3c(F)cc(-c4cnn(C)c4)cc3)c1	1
+c1c(c(cc(c1)Nc2ncnc3cccc(F)c23)Cl)OCc4cnccn4	73
+c1cc(ccc1C)S(=O)(=O)OCCOCC(c2ccc3sccc3c2)O	36
+c1cc(ccc1C#N)-c2ccc3c(cnc(CCN4C(C)CCC4)c3)c2	11
+c1cc(ccc1C)S(=O)(=O)OCCc2cc3c(cn2)cc(cc3)Br	36
+c12c(cnc(c1cccc2C)O)C(=O)O	104
+c12c(cncc1)ncn2-c3ncccc3	10583
+c1ccccc1CN2CCc3c(C2)ncn3-c4ncccc4	10584
+c12c(cncc1F)sc(-c3c(N)cccc3Cl)n2	0
+[nH]1c2c(c(c1)-c3cc(ccc3)C#N)c(ncn2)Cl	10585
+c1ccccc1C(Nc2c3cccc(F)c3n[nH]2)=O	330
+c1(nc(SC)nc(Cl)c1C#N)NC(C)c2nc3c(cc2-c4ccnn4C)n(cc3)C	40
+c1c2c(oc(n2)CC)cc3c1CCN(CC3)CCCSc4nnc(n4C)-c5c6ccc(C)nc6ccc5	53
+c1cc(ccc1-c2ccccc2-c3[nH]nnn3)CNc4nc(nc5c4CCCC5)C	40
+c12c(nc(C=Cc3ccc4OCc5c(cccc5)C(O)c4c3)cc1)cc(Cl)c(F)c2	488
+c1(c2c(CCC2C)ncn1)O	10586
+c1cc(ccc1)Oc2ccc(CNC(=O)c3c(nc4CCCc4c3)N)s2	56
+c12c(nc(c(c1)C(=O)O)N)CCC2	6
+c1ccccc1C(O)CNc2nc(nc3sc(cc23)C)C	1108
+CCCNc1nc2c(nc(CN)nc2NC)c(n1)NC	10587
+c1cc(CNc2c3cc(C#N)ccc3nc4CN(C(=O)c24)CC)cc(Cl)c1OC	105
+c12cccc(CO)c1nc[nH]2	295
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc5c(c(ccc45)Br)C	10588
+c1cc(ccc1)OC(=O)Nc2cc3CCCc3nc2	950
+c12c(ncc(N)c1)CCC2	13
+c12c(c(N)c[nH]1)nccc2	193
+c1c2c(N(c3c(nccn3)S2)COC)cc(CO)c1	98
+[nH]1c2c(ncc(-c3cccc(Nc4ncnc5ccccc45)c3C)c2c6ccc(OCCOC)cc16)C(N)=O	73
+c1ccccc1C=2c3c(cccc3)C(=O)OC=2C(C)n4ncc5c(N)ncnc45	10589
+c1cc(ccc1C(N2C(=O)CC(C(Oc3nc(cc4nn(C)cc34)Cl)C)C2)C)OC	10590
+C(C(OCC)=O)n1nc(C#N)c2c1C(C3C2C3)OCOC	331
+c1cc(ccn1)C(NC(C(C)(C)Cc2ccccc2)n3nnc4ccccc34)=O	5028
+c1cc(ccc1)C(=O)NC(n2c3c(cccc3)nn2)C(C)(C)Cc4ccccc4	5028
+c12c(nnc(c1c(N)ccc2)O)Cc3ccc(F)c(Br)c3	0
+C(C)OC(N1CCc2c(ccc3CCC(=O)c23)CC1)=O	1762
+C1(C)Cc2c3c(c(N)c(c2F)F)C(C(=CN13)C(=O)O)=O	0
+c1ccc2CCN3CCCc1c23	10591
+c1c2c3ccc(cc3n(c2cc(c1)OC)-c4ccccc4OC)OC	2246
+c1c2C(N(C(c3cccc(cc1N)c23)=O)CCCC(=O)O)=O	0
+C(CCCO)n1c2c3c(cccc3)ncc2nc1CCC	237
+C1(C(C)=O)CCSc2[nH]c3c(c12)cccc3	86
+c1ccc2c(c1)c3ccccc3c4cnc(O)cc24	104
+c1cc(ccc1)-c2nc(nc(Cl)c2)-n3c4c(cccc4)c5ccccc35	198
+c1ccccc1COc2c3c([nH]nc3)ccc2	22
+c1cc(ccc1Oc2c3cc(c(OCCOC)cc3ncc2)C#N)[N+]([O-])=O	242
+c1c2[nH]c(cc2ccc1Oc3nc4c(s3)cccc4)C(OC)=O	1523
+O=CC1=C(c2cc(C)ccc2N(C1=O)CCCCCC)OC	10592
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(OC)cc4C	2829
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(cc4C)O	5
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(C(=O)O)cc4C	1
+c1cc(ccc1OCC2CCN(CC2)C(=O)C=Cc3cnc4c(CC(C(OC)=O)C(=O)N4)c3)F	404
+c1c(c(F)c(c(c1)C=Nc2c3c(cc(c2)F)nc(O)cc3)Cl)OC	457
+c1c2c(ccc1)oc3ccc(cc23)-n4c5ccc(cc5c6ccccc46)Br	2246
+c1ccccc1COc2c(NC(C)=O)cc3ccccc3c2	22
+c1(c(nc2cc(OC)c(OC)cc2c1)Cl)C#N	1453
+c12C(CCc1cc(CCCCCC)c(c2)O)=O	5
+c1cc(ccc1Oc2ccnc3cc(OC)cc(c23)OC)[N+](=O)[O-]	242
+c1(cc2c(c(c1)O)nccc2)OC	390
+c1(ccc2c(-c3[nH]c4ccccc4c3C2)c1)OC	1150
+c12cc(ccc1[nH]cc2C(=O)c3cccc4ccccc34)OC	787
+c1ccccc1CN2C(C(CC2=O)c3c[nH]c4ccc(OCC#C)cc34)=O	10593
+c12cc(OCCCC(=O)O)c(cc1CCC2=O)CCCCCC	3
+c1cc(Oc2ccnc(n2)N)cc3CCNc13	931
+c12cc(Oc3ccnc(n3)N)ccc1[nH]cc2	511
+O=C(n1ccc2cc(Oc3ncnc(N)c3)ccc12)NC	2121
+c12C(Cc1ccc(N)c2)=O	0
+c12cc(N)ccc1CCCCN2C(=O)C	0
+c12cc(N)ccc1CCCN2C(=O)C	0
+c1c(C#N)nc2c(c1)cc([N+]([O-])=O)cc2	10594
+c1cc(cc(C)c1Oc2cnc(C)cc2)Nc3ncnc4cc([nH]c34)-c5occc5	1190
+c1cc(ccc1S(=O)(=O)NC(C(C)C)C(=O)OC)-c2ccc(cc2)COc3c(cc4ccccc4n3)C	1155
+c1ccccc1NC(Cc2n[nH]c(Nc3c4c(cc(OC)cc4OCCCl)ncn3)c2)=O	33
+O=Cc1c2c(cc(CCOC)c1)cccc2	39
+c1ccccc1COc2cc3c(CCC3=O)cc2	22
+c1cc2c(cc1F)C(O)CCC2	74
+c1cc(N)c(NC(CCCCCNC(c2cccc(C=C3c4c(NC3=O)ccc(c4)F)c2)=O)=O)cc1	33
+c12cc(ccc1NC(=O)C2=Cc3cccc(C(NCCCCCC(=O)O)=O)c3)F	4
+C(c1cc2c(OC(C)C(=O)N2)cc1)(=O)O	1
+c1ccccc1S(=O)(=O)n2c3c(cc(OCC=C)cc3)cc2	367
+c1(C=O)cc2c(cc1)c3c(c(N)n2)ncc(c3)CCc4ccc(OC)cc4C	39
+c12cc(ccc1c3c(c(N)n2)nccc3)CO	98
+c12cc(CC)ccc1c3c(c(N)n2)nccc3	1393
+c1(C=O)cc2c(cc1)c3c(c(N)n2)nccc3	39
+c1cc(ccc1)CC(=O)c2c(n(c3cc(C(OC)=O)ccc23)Cc4ccccc4Cl)CCC	432
+c1cc(ccc1F)-c2cc(F)cc3cc(C(=O)N)n(C)c23	1009
+c12cc(n(c1c(cc(c2)F)Br)C)C(=O)O	6
+c1cc(ccc1-c2cc(C)ncc2)CNc3nccc4cc(Cl)ncc34	4054
+c12cc(sc1c(Cl)c(Cl)c(OCC(=O)O)c2)C(O)C	3
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	73
+c1cc(ccc1N2C=CC=CC2=O)-n3cc(CNC(c4ccc5c(cc[nH]5)c4)=O)nc3	14
+c1cc(ccc1)-c2noc(c2-c3oc(nn3)-c4ccc5c(cc[nH]5)c4)C	2226
+c1cc(ccc1-c2c(Br)cccc2)Cn3ccc4cc(ccc34)C	4194
+c12cc[nH]c1ccc(c2)Nc3ncnc(Cl)c3[N+]([O-])=O	73
+c1cc(ccc1)NC(n2ccc3cc([N+](=O)[O-])ccc23)=O	10595
+c1cc(ccn1)CCc2c[nH]c3c2cc([N+](=O)[O-])cc3	10596
+c1cc(ccc1C)S(=O)(=O)n2c3c(cc(cc3)F)cc2	367
+n1c(c2c(n[nH]c2)nc1)-c3cccnc3Nc4c5c(ccc4C)c(Cl)ncc5	3147
+c12ccc(C)c(N)c1ccnc2Cl	0
+c1cc(ccc1C(Nc2nccc3c2ccc(C)c3[N+]([O-])=O)C)Cl	70
+c1ccccc1Cn2c3ccc(nc3cc2C#N)Cl	5029
+c12c3ccccc3nc(Nc4cc5c(c[nH]n5)cc4)c1[nH]nc2	10597
+O=S(=O)(c1ccc(cc1)C)n2ccc3c(Nc4ccc5cn[nH]c5c4)nc(nc23)Cl	1665
+Nc1cc2ccc(O)nc2cc1	0
+c1cc(ccc1)OC(N2CCC34C(C2Cc5c3cc(OC(C)=O)cc5)CCOC4)=O	1142
+c1cc2CC(Cc2cc1OC)C(OC)=O	4378
+c12ccc(OCC)cc1cc(OC(C(=O)O)CC)cc2	4
+c12cc(ccc1oc(C=O)c2)-c3noc(-c4ccc(c(OCC)c4)OCC)n3	2180
+c12cc(ccc1cc(CO)cc2)C	49
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3cc4[nH]ncc4cc3	1505
+C(c1ccc2c(c(ccc2)O)n1)N	2880
+C(c1ccc2c(ccc(n2)C)c1)N	107
+Nc1cc2ccc(nc2cc1)C	0
+c12ccc(nc1ccc(C#N)c2)C	274
+c1cc(ccc1Cl)-c2c3c4c5c(ccc4cc2)cccc5cc3	11
+c1cc(ccc1)Cn2c3c(c4c2cccc4C(OC)=O)C(=O)CCC3	190
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)C=O	39
+C1Cc2c(NC1)c(ccc2)O	1352
+c1cc(ccc1-n2c3cccc(c3nc2)[N+]([O-])=O)C#N	5009
+COc1c2CNCc2ccc1	162
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CC[N+](=O)[O-]	364
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CCN	157
+Nc1cccc2c(cccc12)CC(O)=O	0
+c12ccccc1-c3c(cccc3)C2COC(=O)NC(COS(=O)(=O)c4ccc(cc4)C)(C(OC)=O)C	36
+c1(cc2c(cc1)-c3ccccc3C2CO)C	21
+c1cc(ccc1)C2(C(=O)Nc3ccccc23)O	4556
+c1cc(ccc1-c2ccc(cc2)-c3c(c(C)no3)CC(NC4c5ccccc5CC4O)=O)C6(CC6)C(=O)OCC	9
+c1c2c(C(Nc3nc(cnc3CC)CC)C(O)C2)ccc1	464
+c1ccccc1C#Cc2cc(c(N3C(C)=Nc4ccccc4C3=O)cc2)C	2103
+c12c(cccc1)C3(c4c(cccc4)C2C3)CN5CCC(CC5)(c6cccnc6F)O	10598
+C12CC(=O)C(CC1)c3ccccc23	86
+c1ccc2CCc3ccccc3C(c2c1)CCO	21
+C1Oc2cc(NC(CCNCC3COc4ccccc4O3)=O)ccc2O1	4844
+c1ccccc1CNC(=O)C2(c3c(cccc3)Oc4ccccc24)C	9
+c1cc(ccc1)S(=O)(=O)N2CC(c3cn4c5c(cccc35)CCC4)C(c6c[nH]c7c6cccc7)C2	92
+c1cc(ccc1)C(=O)N(C)C(CCNC(=O)c2ccnc3ccccc23)Cc4ccccc4	14
+O(CCO)CCc1cccc2ccccc12	21
+c1cc(ccc1F)C(=O)c2nc3c(c(Cl)n2)cccc3	2329
+C1CNc2c(C1)ncc3ccccc23	15
+Cc1[nH]c2ccccc2c1C(c3cccc4ccccc34)=O	787
+c1c2c(CNC)c3n(c2ccc1)CCC3	10599
+N(c1c(cccc1)NC(=O)c2sc3c(cccc3)c2Cl)C(=O)c4cc(C#N)ccc4	864
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(CCC(OC)=O)n2)Cl)OC	1108
+c12cc3c(cc1nc(cc2)CO)CC4(c5cccnc5NC4=O)C3	453
+C(OCCOCC)Cn1ccc2c3c(C(NC3=O)=O)c(cc12)-c4ccccc4Cl	3633
+c1cc(ccc1)COCN2C(=O)C(C)=C(c3ccc(cc3C)Oc4ncnc5ccsc45)N(C)C2=O	10600
+c12cnc(C#N)cc1c3c([nH]2)ncc(c3)Br	331
+c12cnc(CO)cc1c3c([nH]2)ncc(c3)Br	629
+c12cnc(cc1c3c([nH]2)ncc(c3)Br)C(=O)O	1
+c1c2c(cnc1O)[nH]c3c2cc(cn3)F	104
+c12cc(ncc1cccc2)C(C)O	1394
+c12cnc(cc1n(CC)cc2Br)C(=O)O	1
+c1cc(ccc1C(NC(Cn2c3c(c(ccc3nc2)F)Cl)=O)C)C(C)(C)C#N	2458
+c1cc(ccc1CC(OC)=O)CNCCCn2c3c4ccccc4nc(N)c3nc2CCCC	42
+c1cc(ccc1)C#CCOCCn2c(CCOC)nc3cnc4c(cccc4)c23	121
+n1(Cc2c3c(cccc3)ccc2)c(C(=O)OCC)c(CN)c4cc(F)ccc14	5003
+c1c(I)cc(c(Nc2c(C(=O)OC)ccc3cncn23)c1)F	3783
+C1(NC(=O)c2c1c(cc3n(c(CO)cc23)CCCOC)-c4ccccc4Cl)=O	453
+c1ccccc1-c2c3nc(C(=O)OCC)cn3cc(c2)Br	1805
+c1ccccc1C=C2CCCc3c2nc(c(c3)C(=O)OCC)C	10601
+c1(C)nc2c(cc(cc2N)Br)n1C	13
+C(C)(c1cc2c(nc1Cl)c(F)ccc2)O	652
+c1(c(O)nc2c(cc(OC)c(OC)c2)c1)C(O)=O	1
+C1COCCN1c2ccc(cc2)Nc3nc4c(c(n[nH]4)SC)c(n3)OCC	55
+c1ccccc1COC(NCC2CN(CCC2)CCN3c4cc(OC)cnc4C=CC3=O)=O	61
+c1cc(ccc1)C(N2c3cc(I)cnc3NCC2)=O	4593
+c12ccccc1cc(cn2)CO	269
+s1c2c(nccc2Cl)cc1-c3ccc(CN4CCCC4=O)cn3	4838
+n1(c2ncccc2nc1)Cc3ccc4nc(SC)sc4c3	5023
+c1ccccc1-c2c(Cl)nc3c(nccc3)n2	696
+s1c2cc(ccc2cc1CO)Oc3sc4c(nccc4)n3	10602
+c12nn(C)cc1c(ccc2)C3C(C=O)C3	24
+c12nn(C)cc1c(ccc2)C3C(CN)C3	10603
+c12nnc3CCCCc3c1c(N)c(C(O)=O)s2	1
+c1ccccc1-n2nncc2COc3c4c(cc(OC)c3)oc(-c5cn6c(n5)sc(n6)OC)c4	10604
+c1cc(ccc1)COc2cc(ccc2)COc3c4c(oc(-c5cn6c(n5)sc(n6)OC)c4)cc(OC)c3	657
+c1cc(ccc1)-c2scc(n2)COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC	1963
+c1nc(ncc1)-c2cccc(COc3c4c(oc(-c5cn6c(n5)sc(n6)OC)c4)cc(OC)c3)c2	657
+c1ccccc1CC(NC(=O)Cc2c3c(ccc(O)c3)[nH]c2)c4n(Cc5ccccc5OC)ccn4	9
+C(OCCCc1c[nH]c2c1c(C)c(cc2)[N+]([O-])=O)C	21
+c1[nH]c2c(c1CCCO)cc([N+]([O-])=O)cc2	44
+c1[nH]c2c(c1CCCO)c(c(N)cc2)C	0
+c1cc(ccc1C)S(=O)(=O)OCCCc2c[nH]c3ccc(cc23)F	36
+c1[nH]c2c(c1CCNC(C)=O)cc(N)cc2	0
+c1[nH]c2c(cc(C#N)cc2)c1CC(=O)O	4
+c1cc(ccc1C)S(=O)(=O)OCCCCc2c3c(ccc(C#N)c3)[nH]c2	36
+c1[nH]c2c(c1CN(C)C=O)ccc(C)c2	10605
+c1ccccc1COC(c2c3c([nH]c2)cccc3)=O	470
+C1(c2c[nH]c3c2cccc3)(CCc4cc(ccc14)F)CC	1263
+c1ccc(C(c2c3ccccc3[nH]c2)=O)cc1[N+]([O-])=O	787
+c1cc(ccc1-n2ccc3ccccc23)OC	2787
+c1cc(ccc1C(c2c[nH]c3c2cccc3)=O)OC	787
+c1cc(ccc1)-c2nc3c(c(-n4ccc5ccccc45)c2)cccc3	5004
+c1c2c(-c3ccnc(n3)Cl)c[nH]c2ccc1	4678
+c1[nH]c2cnc(cc2c1CCC(=O)O)-n3ncnc3	3
+c1[nH]cc(c1-c2c(c(Cl)ccc2)Cl)C(N)=S	2547
+c1n(cc(-c2ccccc2Cl)c1C(=O)O)-c3ccnc(Cl)c3	6
+n1sc(c(C(=O)O)c1-c2cc(C)ccc2)C(=O)OC	1
+c1c(-c2cc(CO)ccc2)csc1	59
+c1c(-c2cc(F)c(cc2)C#N)nc(N)nc1N3CC(C(=O)Nc4cccc(c4)F)CCC3	33
+n1coc(-c2cc(cc(-c3ocnc3)c2)N)c1	0
+c1c(-c2cc3nc(C)c(C(=O)C(OC)=O)c(Cl)n3n2)cc4CCCCc4c1	10606
+c1c(-c2cc3n(c(Cl)c(c(C)n3)C(O)C(=O)OC)n2)cc4CCCCc4c1	10607
+c1c(-c2cc3n(c(Cl)c(c(C)n3)C(O)C(=O)OC)n2)cc4CCCCc4c1	4612
+c1c(-c2ccc3OCOc3c2)ccc4C5C(=O)N(c6ncccc6)N=C5CCc14	2472
+C1CCNCC1c2cc(C)c(cc2C)N	1446
+c1c(-c2cncc(c2C(O)=O)Nc3ccc(I)cc3F)c(ccc1)Cl	1
+c1(-c2ccc(c(OCC)c2)OCC)onc(n1)-c3c4CCNc4ccc3	931
+c1cc(C(=O)OC)cc2OCC(NCc12)C	2983
+c1cc(Cl)c(Br)cc1CO	217
+C1CN(CCC1(C#Cc2ccc(F)c(C#N)c2F)O)C(=O)Cc3ccc(cc3)-n4nnnc4	197
+c1cc(ccc1)Oc2c(cc(cc2)C#N)Br	46
+C(C)c1ccc(F)c(Br)c1	165
+c1c(C(=O)O)cc(F)c(OC)c1Br	1
+C(C)N(CC)C(=O)c1ccc(cc1)C(O)c2ccccc2OC	257
+c1c(Br)c(Oc2cc(ccc2N)C#N)ccc1	0
+c1ccccc1CSc2cccc(c2C)Br	607
+c1c(Br)c(c(cc1-c2nc(C(OCC)=O)on2)Br)OCc3ccc(cc3)OC	139
+c1(cc(cc(Br)c1Oc2cc(C(C)C)c(cc2)O)CO)Br	49
+c1(cc(cc(Br)c1Oc2cc(c(c(c2)C=Cc3ccccc3)O)C(C)C)CC(O)C(OC)=O)Br	914
+c1c(Br)c(c(cc1CC(O)C(OC)=O)Br)Oc2cc(C(C)C)c(c(I)c2)O	5
+c1c(Br)c(c(cc1CP(O)(O)=O)Br)Oc2cc(C(C)C)c(cc2)O	228
+c1ccccc1CSc2c(OC)c(cc(F)c2)Br	607
+O(c1cc2N(c3c(Cl)cccc3)C(=O)CCc2c(c1)Br)C	2331
+c1c(Br)c(cc(O)c1F)CC(=O)O	5
+c1c(Br)c(ccc1)OC(C(=O)O)CCC	3
+c1(Br)ccc(c(N)c1)NC(CCCCCCC(=O)OC)=O	0
+Brc1cc(cc(Br)c1)NC(=S)NC(=O)c2ccccc2	865
+c1c(Br)cc2CC(N)COc2c1	157
+c1c(Br)cc2CCC(N)Cc2c1	733
+c1cc(ccc1C#N)-c2ccc3c(CCC(C3)=O)c2	11
+c1c(Br)cc2CCCNCc2c1	15
+c1ccccc1COC(NC2Cc3c(cc(cc3)Br)CC2)=O	101
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(C(c5ccc6cc(C(NC)=O)ccc6c5)O)nc4	5030
+c1cc(ccc1S(=O)(=O)n2cnc(c2)C(O)c3cc4ccc(C(NC)=O)cc4cc3)C	5030
+c1c(Br)ccc2cc(C#N)ccc12	274
+c1cc(ccc1-c2cc3c(cc2)cc(OC)cc3)OC	10608
+C(=O)(O)C(Oc1ccc2ccc(cc2c1)Br)CC	4
+c1c(Br)nc(cc1)C(CCCC)=O	955
+c1cccn1-c2nc(ccc2)C(Nc3c(C(N)=O)nn(C)c3)=O	10609
+O=C1c2c(C(=O)N1CCC#Cc3cccc(n3)CF)cccc2	769
+c1cc(ccc1)C(NC(Nc2cccc(n2)Br)=S)=O	1780
+c1cc(ccc1C#Cc2cccc(N)n2)C(OCC)=O	943
+c1c(Br)nc(cc1NC(N)=S)Br	401
+Nc1sc2c(cc(nc2Br)Br)n1	3928
+c1cc(ccc1S(=O)(=O)c2cc(Br)nc(c2)Br)N	0
+c1cc(ccc1)C#Cc2cnc(cn2)Br	5031
+c1(cc(C#N)c(C)cc1N)O	0
+N#CC1CN(c2ncnc3cc(Cl)c(cc23)C#N)CCN1C(C=C)=O	143
+Nc1cc(C(=O)OC)c(cc1C#N)C	0
+c1cc(ccc1Cl)Oc2cc(C#N)ccc2	46
+C=1(C(=O)O)CCCC=1c2cc(ccc2)C#N	127
+c1cnccc1COc2cccc(c2)C#N	139
+c1ccc(OCc2nc3c(cccc3)cc2)cc1COc4cc(ccc4)C#N	139
+c1c(C#N)nc2c(c1)cc(N)cc2	0
+c1c(C(=O)C)c(O)c(c(c1Cl)OCCOCCOc2c(C(C)=O)ccc(OCC(=O)O)c2CCC)CCC	3
+c1cc(ccc1)COc2cc(cc(OCc3ccccc3)c2)C(=O)CC(=O)c4ccc(cc4O)O	10610
+c1c(NC(c2cc(ccc2)C#N)=O)c(ccc1)[N+]([O-])=O	50
+c1(c2c(c(C)cc(c2)Br)nc(-c3cnccc3)n1)O	4845
+c1c(CO)c(c(cc1)O)C	49
+c1ccccc1COc2cccc(c2C)C(O)=O	22
+c1c(cc(cc1CO)Br)O	611
+c1(C(=O)O)cc(N)cc(N2CCCC2=O)c1	0
+c1ccccc1CNC(=O)c2ccc(C)c(NC(=O)c3cc4c(nc3O)cc(c(OC)c4)OC)c2	14
+Oc1c(cccc1)NC(c2ccc(C)c(c2)OC)=O	67
+n1cc(cc(NC(c2cc(OC)c(C)cc2)=O)c1)Br	487
+c1c2c(nc(-c3ccc(O)c(c3)OC)o2)ccc1	1328
+c1(CO)cccc(-c2c3c(ccc2N)cccc3)c1	49
+O=C1Nc2nc(ccc2SC1)CO	629
+c1c(OC)c2ccsc2c(F)c1	1539
+c1c(C(=O)OC)c(c(c2n1c(cn2)CC)F)Nc3c(F)cc(C)cc3	10611
+CC(=O)c1c2c(n(c1CCC)Cc3ccccc3Cl)cc(C(=O)O)cc2	1
+c1c(c(ccc1)OC)-c2ccc(cc2C)C(=O)O	1
+S(C)CCCc1cc(CO)nc(c1)C(=O)OC	398
+c1cc(ccc1)OC(c2nnc(cc2)C(=O)OC)C	20
+c1c(C(=O)OC)nnc(O)c1	104
+c1c(C(=O)O)sc2c(F)ccc(OC)c12	1
+c1cc(ccc1)COc2cc(nc(c2)CO)C(=O)OCC	194
+c1c(C(=O)OC)nnc(C(C)O)c1	1394
+c1(ccc(N)c(N)c1)C(C)C(=O)OCC	0
+c1c(C(C2CC2C(=O)O)=O)cc(c3OCCCc13)Cl	4
+c1(O)c([N+]([O-])=O)cc(C(CBr)=O)cc1O	5
+c1c(C(CCCCCl)=O)cc(N)c2OCCc12	0
+c1(cccc(c1)F)C(=O)Nc2ccc(F)c(C(c3ccc4c(c3)nccn4)=O)c2	50
+c1cc(ccc1F)NC(=O)c2ccc(Br)nc2	971
+O(C(=O)CCCc1ccccc1NC(c2ccc(Cl)c(Br)c2)=O)C	50
+O(C)c1ccccc1NC(c2ccc(Cl)c(Br)c2)=O	50
+c1cc(ccc1)-c2cc3c(c(c2)Cl)[nH]c(C(NCc4sccc4)=O)c3	11
+c12c(cccc1)cccc2Cc3cc(ccc3OC)Br	452
+c1(Cl)cccc(Cl)c1NC(=S)Nc2c(cnc(c2)C(OC)=O)N	773
+C1(N)=C(c2cc(C)c(C)cc2N(C)C1=O)c3ccccc3Cl	10612
+c1c(C)c(c(cc1)C)-c2cc(COc3ccc4c(ccn4CC(=O)O)c3)ccc2	3
+c1c(C)c(c(cc1)C)-c2nc(O)c(c(C)n2)COc3c(C)ccc(c3)C(C)C	104
+c1c(C)c(c(cc1)C)-c2nc(COc3cc4CC5C(C5c4cn3)C(O)=O)c(F)cc2	3
+c1c(C)c(c(cc1)C)COc2cccc(C(C(=O)O)CC)c2	3
+c1c(C)c(c(cc1)C)COc2c(F)ccc(C(O)=O)c2	6
+c1c(C)c(c(cc1)C)COc2cccc(C(C(O)=O)C)c2	3
+c1cc(ccc1)COC(=O)CN(CC2CCCCC2)C(=O)c3cc4c(cc3NC(=O)Nc5c(cccc5C)C)cccc4	124
+c1cc(ccc1C(c2cc(C)c(c(c2)C)O)=O)[N+](=O)[O-]	222
+c1c(C)c(c(cc1)C)Oc2c(cc3nc(nc(c3c2)N)-n4ncc(C(=O)O)c4)F	6
+c1(C)cc(cc(C)c1O)-c2[nH]c3c(cccc3)c2C	5
+c1ccccc1COC(=O)c2ccc(cc2)-c3cc(C)c(c(c3)C)OCCO	470
+c1c(C)c(c(cc1-c2nc3c(cc(cc3)N)c(O)n2)C)O	0
+C(O)C(CO)COc1c(C)cc(cc1C)-c2nc(on2)-c3sc(C)c4C5C(Cc34)C5(C)C	1192
+Cc1cc(cc(C)c1O)-c2nc3cnc(nc3o2)Cl	5
+c1c(C)c(c(cc1Br)C)OCc2ccccc2	22
+Cc1cc(cc(C)c1OC)CO	98
+c1(cc(cc(C)c1OCC(=O)O)C(c2sccc2)=O)C	3
+c1cc(ccc1OP(c2ccccc2)(=O)C(c3c(cc(cc3C)C)C)=O)OC	10613
+Cc1cc(cc(C)c1C2=C(O)C3(CCN(CC3)OCC)NC2=O)C	997
+c1(cc(cc(C)c1N=C2N(C(N(C)C(=C2)c3ccc(O)c(OC)c3)=O)C)C)C	5
+c1c(C)c(c(cc1C)C)NC(Nc2cc(-c3cc(c(cc3)OC)F)ccc2C(NC(C(=O)O)C4CCCCC4)=O)=O	4
+Cc1cc(cc(C)c1Nc2sc3c(n2)cccc3CO)C	2705
+Cc1cc(cc(C)c1Oc2c(c(NC(CC)CC)cc(C)n2)N)C	13
+c1ccccc1-c2cc(C(=O)CCc3cc(C)c(c(C)c3)O)sc2C	5032
+c1cc(ccc1)-c2cc(C(=O)CCc3cc(C)c(c(C)c3)O)sc2CC	5032
+O=S(=O)(C)c1ccc2C(N(c3ccc(cc3)C(CC)C)C(=Nc2c1)c4cc(C)c(c(C)c4)OCCO)=O	10614
+CC(C)(C(=O)OC)Cc1cc(C)c(c(C)c1)-c2[nH]c3ccc(cc3n2)-c4oc(-c5ccccc5C)nn4	10615
+c1c(C)c(c(cc1CC(C)(C)C(=O)OC)C)C=O	494
+c1c(C)c(c(cc1CC(C)(C)C(=O)OC)C)-c2[nH]c3c(cc(cc3)C(O)=O)n2	622
+c1(cc(cc(C)c1Cc2ccc(c(c2)C(C)C)OCOC)C=O)C	39
+c1(C)cc(cc(C)c1-c2csc(n2)N)N	106
+Cc1cc(cc(C)c1C=O)OCc2ccccc2	22
+c1(cc(cc(C)c1-c2cc(COc3ccc(cc3)C=CC(=O)OC)ccc2)OCCOCC)C	20
+C1CCC(C1)CC(=O)Nc2c(C)cc(cc2C)N	0
+c1(cc(cc(C)c1NC(=O)OCCC)N)C	0
+c1cc(ccc1)C(=O)COc2ccc(cc2C)CC(N)=O	702
+c1(C=O)cc(C)c(cc1)[N+]([O-])=O	39
+C(=O)(CN1c2nccc(C)c2-n3c(ccc3)C1=O)O	4
+C1C(CC1)(C(=O)N2CCC(Nc3cc(c4cc(OC)ccc4n3)C)C2)c5ccc(cc5)Cl	10
+Clc1cc([N+]([O-])=O)cc(C)c1	480
+c1cc(ccc1S(=O)(=O)Nc2cc(cc([N+](=O)[O-])c2N)C)C	69
+c1cc(ccc1)C#Cc2c(N)c([N+](=O)[O-])cc(C)c2	129
+c1c(c2C(c3c(cccc3C)-c2cc1C)=O)C	358
+c1c(C)cc(cc1CC(N2CCC2(C)C(=O)O)=O)C	3
+c1(C)cc(cc(C)c1)CC(N2CCC2(C)C(N(Cc3ccc(cc3)C)C)=O)=O	10
+Cc1cc(cc(C)c1)-c2c(nc3cc(c(cc3c2O)[N+](=O)[O-])Cl)O	4781
+Cc1cc(cc(C)c1)Nc2c(c(ccc2)C#N)N	0
+c1c(C)cc(cc1OCC(C)N)C	733
+c1c(C)ccc(-c2c(Cl)ccc(N)c2)n1	0
+n1cc(cnc1C)C(NC(=O)c2cc(-c3ncc(C)cc3)cc(OC)c2)C	14
+c1c(C)ccc(-c2cc(OC)cc(C(=O)O)c2)n1	1
+c1c(C)ccc(-c2cc(cc(C(=O)O)c2)Br)n1	1
+c1cc(ccc1)-c2ccc(C)cn2	119
+c1cc(ccc1Cl)Oc2ncc(cc2)C	1237
+c1c(C)nc(-c2nn3c(c2-c4c5ccc(C(=O)O)cc5ncc4)CCC3)cc1	6
+c1c(C)nc(-c2nn3c(c2-c4cc5n(CCCO)cnc5cc4)CCC3)cc1	168
+c12c(cccc1)C(=O)N(C2=O)CCc3cccc(C)n3	332
+c1cc(ccc1F)C(Cc2nc(ccc2)Cl)=O	1501
+n1c(C)cccc1-c2cc(OCC)cc(C)n2	174
+n1c(C)cccc1-c2cc(OCCO)cc(C)n2	174
+c1ccccc1-c2cc(nc3cc(C)nn23)N	2057
+c1ccccc1CN2C(N(CC2)c3sc(c(n3)C)C(=O)NCc4ccc(C)o4)=O	454
+c1c(C)oc(c1)CNc2ccc3c(cccc3CO)n2	41
+c1c(C)oc(c1)CNc2ccc3c(cccc3CN)n2	107
+c1cc(ccc1C(NCc2c3c(nc(cc3)NCc4oc(C)cc4)ccc2)=O)F	93
+c1c2c(C(c3c(O)cc4c(CCO4)c3)C(N2CCCCC)=O)ccc1	462
+Nc1cccnc1Nc2cc(ccc2)C=Cc3cnccc3	13
+c1cc(ccc1OCc2cc(O)ccc2)CC(C#N)C(OC)=O	22
+c1c(c([N+]([O-])=O)c(F)cc1)CC(=O)O	4
+C1(Nc2cc(ccc2OC1)CC(OC)=O)=O	1290
+c1(ccccc1F)-c2c(cccc2)CC(=O)O	3
+c1ccccc1Oc2cccc(c2[N+](=O)[O-])CC(=O)OCC	415
+c1c(c(c(N)cc1)Br)CC	0
+O=C(O)c1cccc(c1O)CC=2C(=O)C(OC)=C(C(=O)C=2C)OC	173
+c1cc(ccc1NC(CCc2cc3c(OCO3)cc2)=O)C(=O)OC	33
+c1c(CCC(=O)O)c2c(cc1)COB2O	3
+c1c(OCC)c(ccc1)-c2nc(O)c3nccc(CCC)c3n2	10616
+c1cc(ccc1C#Cc2cc(CCCC#N)c(F)cc2)OC(F)F	129
+Nc1c(cc(CO)cc1CCCC)F	98
+c1c(c([N+]([O-])=O)ccc1)CCN	18
+c1cc(ccc1C)S(=O)(=O)OCCc2cccc(C)c2[N+]([O-])=O	36
+c1cc(ccc1OC)C(c2ccc(cc2)OC)(OCc3cc(cc(CN=[N+]=[N-])c3)CF)c4ccccc4	604
+c1c(c(c(N)cc1)C)CNCC	0
+O=Cc1c(F)c(I)ccc1	39
+c1ccccc1-c2cccc(CO)c2C	11
+C(COc1c(Cl)cccc1C=O)C	39
+c1cc(ccc1)N(c2ccccc2)C(=O)OCc3c(Cl)c(OCC(=O)OC)ccc3	2469
+c1cc(ccc1)CN(CC(=O)c2ccc(c(CO)c2)O)CCCCCCOCCCCCCc3ccccn3	676
+c1ccccc1CN(CCCCCCOCCCc2ccccn2)CC(c3ccc(O)c(CO)c3)=O	676
+c1cc(ccc1S(=O)(=O)OCc2cc(c(F)cc2)Cl)C	36
+O(c1cccc(CO)c1)c2ncc(C)cc2	1605
+c1(nc2c(cn1)cccc2)COc3cc(CO)ccc3	2818
+c1cc(ccc1COc2ccc(c(COCOC)c2)Br)C#N	22
+c1cc(ccc1)CNc2c(O)nc3c(c(NC(C)CO)nc(n3)SCc4c(c(F)ccc4)F)n2	10617
+c1c(Cc2cccc(c2)C(O)=O)cc(F)cc1	1
+c1ccccc1-c2n3ccccc3c(C(=O)OC)c2Cc4cccc(F)c4C	10618
+c1cc(ccc1OC)COc2c3c(ncnc3ccc2)Nc4cc(c(OCc5cc(F)ccc5)cc4)Cl	1111
+Nc1c(N)c(Br)c(c(Cl)c1)Cl	0
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4ccc5OC(=CC(c5c4)=O)C(O)=O	108
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4cc5c(cc4)c(ccn5)C(=O)O	1
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4ccc5c(c4)cc(C(O)=O)cc5	1
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)Sc4cccc5sc(cc45)C(=O)O	1
+c1c(Cl)c(c(cc1)Cl)-c2c(c(on2)C(C)C)COc3cc4ccc(cc4cc3)-c5ccc(C(O)=O)cn5	1
+Clc1cccc(Cl)c1C(NC(Cc2cc3c(nc(cc3)-c4c(cccc4Cl)Cl)cc2)C(O)=O)=O	4
+c1(cccc(Cl)c1-n2ncc(C(C)C)c2C(O)=O)Cl	1
+c1c(Cl)c(c(cc1)Cl)C(=O)Nc2ccc(cc2)CC(C(OC)=O)NC(c3c(cccc3Cl)C)=S	50
+c1(Cl)cccc(Cl)c1C(=O)NC(Cc2ccc(cc2)O)C(OC)=O	946
+c1nc(ncc1NC(c2c(cccc2Cl)Cl)=O)Nc3cnccc3	3097
+c1c(Cl)c(c(cc1)Cl)C(=O)Nc2ccc(cc2)CC(NC(=S)c3c(C)cccc3Cl)C(=O)O	4
+c1cc(ccc1NC(=O)c2c(cccc2Cl)Cl)CC(NC(=S)C3(CCCC3)CCCCS(=O)(=O)C)C(=O)O	4
+c1c(Cl)c(c(cc1)Cl)Cc2n(Cc3ccc(cc3)C(=O)OC)c4ccccc4n2	505
+c1c(Cl)c(c(cc1)Cl)Cc2n(Cc3ccc(cc3)C(O)=O)c4ccccc4n2	1
+CC(C)c1onc(Cc2c(cccc2Cl)Cl)c1COC	1043
+c1cc(ccc1)OC(Nc2ccc3c(n(Cc4c(cccc4Cl)Cl)cc3)c2)=O	90
+c1cc(ccc1Nc2nc3-n4c(N(C(=O)c3cn2)c5c(cccc5Cl)Cl)ncc4)C(O)=O	1
+c1ccccc1NC(c2ccc3nc([nH]c3c2)Nc4c(cccc4Cl)Cl)=O	1701
+c1c(Cl)c(c(cc1)Cl)NC(=O)Nc2cc3ccccc3cc2C(=O)N(CCC(=O)O)Cc4ccccc4	3
+c1c(Cl)c(c(cc1)Cl)S(=O)(=O)N(C)CCCCC(=O)O	3
+c1c(Cl)c(c(cc1)Cl)SCc2noc(C(C)C)c2CO	88
+Clc1cccc(Cl)c1SCc2noc(c2COc3ccc(cc3)-c4ccc5c(ccc(n5)C(=O)OCC)c4)C(C)C	20
+c1(cc(cc(Cl)c1C(=O)O)-c2nnn[nH]2)Cl	1
+c1cc(ccc1-c2cc(Cl)c(c(c2)Cl)CN3CCC4(CCCCC4)C3=O)F	11
+c1(cncc(F)c1NC(c2c(Cl)cc(cc2Cl)C#N)=O)F	50
+c1(cc(cc(Cl)c1)C(=O)C)Cl	480
+c1(Cl)cc(cc(Cl)c1N)C(CN(Cc2ccccc2)CCCOCCOCCCOc3ccccc3)O	4754
+c1(Cl)cc(cc(Cl)c1OCCCCCCCCCCCC)C(=O)O	1
+c1c(Cl)c(c(cc1-c2oc(nn2)C(=O)OCC)Cl)O	10619
+c1cc(ccc1CC(C#N)c2ccc(cc2)Br)OCCOc3c(cc(cc3Cl)C)Cl	10620
+c1c(Cl)c(c(cc1CCO)Cl)O	95
+c1(Cl)cc(cc(Cl)c1Oc2cc3c(C(C)C)c[nH]c3cc2)CBr	10621
+c1(Cl)cc(cc(Cl)c1CCC=O)Cl	378
+Clc1cc(cc(Cl)c1C2CC2)N=C=S	1034
+c1(Cl)cc(cc(Cl)c1C=O)OCc2ccccc2	22
+c1cc(ccc1C2(OCCO2)CCCOc3c(cc(cc3Cl)OCC=C(Cl)Cl)Cl)F	72
+Clc1cc(cc(Cl)c1C#N)N	0
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)[N+]([O-])=O	815
+O=S(=O)(c1cc(ccc1O)Oc2c(cc(cc2Cl)N)Cl)CC3CC3	0
+C1CCC1NS(=O)(=O)c2c(ccc(c2)Oc3c(cc(cc3Cl)N)Cl)O	0
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(c(c2)C(C)C)O	5
+O=S(=O)(c1ccc(cc1)F)c2c(O)ccc(Oc3c(cc(cc3Cl)N)Cl)c2	0
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2cc(c(cc2)O)S(=O)(=O)CC3CC3	5
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2cc(c(cc2)O)S(=O)(=O)NC3CCC3	5
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(O)c(S(=O)(=O)c3ccc(cc3)F)c2	5
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(c(c2)S(=O)(=O)c3ccc(cc3)F)OC	2290
+c1c(Cl)c(c(cn1)Cl)C#N	274
+c1cc(ccc1COc2c(cc(C(=O)OC)c(O)c2)Cl)OC	139
+c1c(Cl)c(C2=C(N=C3N(C(C)=CS3)C2=O)C(N)C)ccc1	1426
+c1cc(ccc1)COc2c(Oc3c(Cl)cc(Cl)cc3)cc(Br)c(Cl)c2	22
+c1cc(c(c2c1NC(C2=O)=O)Cl)C(=O)O	1418
+c1cc(ccc1)OC(=O)Nc2c3cc(ccc3c(Cl)cc2Cl)OC(=O)C	90
+Clc1cc(cc(Cl)c1)C#CC(=O)c2cc3c(cc(OC)cc3)nc2	10622
+c1(Cl)cc(cc(Cl)c1)C(O)C2(CCCCC2)N	157
+c1(cc(cc(Cl)c1)C(=O)C=2NC(NC(C=2CC)=O)=O)Cl	3272
+c1c(Cl)cc(cc1CCCO)Cl	21
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)Cl	14
+c1(cc(cc(Cl)c1)NCc2c(ccc(Br)c2)O)Cl	10623
+c1c(Cl)cc(cc1Sc2ccc(N)c(n2)C#N)Cl	13
+c1cc(ccc1[N+](=O)[O-])NC(=O)N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2	326
+C(c1c(C)ccc(Cl)n1)(=O)O	1
+c1c(N)cc(cc1)C(C)Nc2nc(Cl)cnc2	464
+c1cc(ccc1Oc2ncnc(SC)c2)[N+]([O-])=O	185
+c1cc(ccc1Cl)C2c3n(C(C)C)c(nc3C(=O)N2c4nn5c(c(C)c4)nnc5C)C	10624
+c1ccccc1Cc2n(-c3c(cccc3)F)nnc2-c4nc(no4)-c5ccccc5F	10625
+CC(c1c(F)cccc1)O	74
+c1cc(ccc1NC(=O)c2c(cccc2)F)C(=O)OC	50
+c1cc(ccc1Nc2c(c(Cl)nc(C)n2)NC(=O)c3c(cccc3)F)Cl	3097
+c1cc(ccc1C(=O)c2c(cc(cc2)F)F)OC	222
+c1cc(ccc1NC(=O)c2c(F)cc(F)cc2)C(=O)N3Cc4c(Cc5ccccc35)cccc4	50
+c1cc(ccc1F)-c2c(ncnc2N)N3CC(CC3)(N)CNC(=O)c4c(F)cc(cc4)F	537
+c1c(F)c(C(NCC2(CN(c3c(c(ncn3)N)Br)CC2)N)=O)ccc1F	54
+c1c(F)c(F)cc2c1nc(C=Cc3cccc(C(CCc4ccccc4Cl)O)c3)cc2	74
+c1c(F)c(F)cc2c1nc(C=Cc3cc(ccc3)C(CCc4ccccc4Cl)=O)cc2	4578
+c1cc(ccc1-c2ccc3C(=O)N(Cc3c2)C(C(OC)=O)C(C)C)NC(=S)Nc4c(cccc4)F	773
+c1ccccc1CNc2c(F)cc(c(NC)n2)F	182
+c1c(F)c(c(cc1)F)-c2ccc(C(=O)N)c3[nH]c4CC(CCc4c23)C(C)O	100
+c1c(F)c(c(cc1)F)-c2nc3c(cn(S(=O)(=O)c4ccc(cc4)C)c3cc2)I	10626
+c1c(F)c(c(cc1)F)-c2noc(C)c2C(O)=O	1
+Fc1cccc(F)c1-c2c(cc(cc2)F)C#N	11
+Fc1cccc(F)c1-c2nc(ccc2)-c3cc4c(OCc5ccccc5)ccnc4cc3	119
+c1cc(ccc1)Nc2cccc(c2C#N)F	275
+c1c(F)c(c(cc1)F)C(Nc2c(C(O)=O)[nH]nc2)=O	6
+c1(F)cccc(F)c1C(Nc2cn(Cc3c(OCc4ccccc4)cc(cc3)Cl)nc2)=O	309
+c1c(F)c(c(cc1)F)C(Nc2cn[nH]c2-c3nc4c([nH]3)ccc(c4)C=O)=O	39
+c1cc(ccc1-c2cn3c(C(N(C(N3Cc4c(F)cccc4F)=O)c5c(c(ccc5)OC)F)=O)c2C)[N+](=O)[O-]	10627
+c1c(F)c(c(cc1)F)COc2nc(C)cn3c(c(nc23)C)C(O)=O	6
+c1c(F)c(c(cc1)F)N2C=C(C(O)=O)C=CC2=O	127
+c1c(F)c(c(cc1N)F)C2=CCSCC2	10628
+c1c(F)c(c(cc1Br)F)CO	49
+c1c(F)c(c(cc1Br)F)N=C(CC(=O)c2ccc(cc2)F)N	10629
+c1ccccc1COC2CC(Oc3c(cc(cc3F)Br)F)CCC2	20
+c1(cc(cc(F)c1O)C(C)=O)F	5
+Fc1cc(cc(F)c1OCC#C)C(=O)O	1
+Fc1cc(cc(F)c1SC)C#N	1308
+c1(F)cc(cc(F)c1OC(C)C)CO	41
+c1(F)cc(cc(F)c1[N+](=O)[O-])C	4862
+c1cc(ccc1S(=O)(=O)Nc2c(F)cc(cc2F)F)C(=O)OC	69
+c1cc(ccc1S(=O)(=O)n2cc(c3c(ccnc23)Oc4c(cc(cc4F)NC(=O)C)F)Br)C	276
+c1(F)cc(cc(F)c1CC(=O)N2CCC2)OCCC3C(C4CCN(CC4)c5ncc(cn5)CC)C3	20
+Fc1cc(cc(F)c1C#N)O	5
+c1cc(ccn1)Nc2nc(ncc2OC)-c3nn(Cc4c(cc(cc4F)OCC)F)c5c3CCC5	3787
+c1c(F)c(c(cc1OCCC(C)C)F)-c2c(C(O)c3ccc(cc3Cl)F)c(nn2C)C	10630
+C1(=CC(=O)n2c(N1)c(cn2)-c3ncc(C)o3)c4cc(c(F)cc4)OCC	1915
+c1cc(ccc1Cl)-c2nc3c([nH]2)cc(F)c(c3)F	1127
+c1ccccc1Cc2c(C(=O)OC)nnn2-c3ccccc3F	10631
+c1ccccc1COc2c(C#N)ccc(F)c2	57
+c1c(F)c(ccc1F)C(C(C)c2ccc(nc2)C#N)(Cn3ncnc3)O	10632
+c1c(F)c(ccc1F)C(C(C)c2cc(C#N)ncc2)(Cn3ncnc3)O	1303
+c1c(F)c(ccc1F)C(C(C)c2nc(ccc2)C#N)(Cn3ncnc3)O	1304
+c1cnccc1C(c2ccc(cc2F)F)=O	358
+c1(F)cc(cc(F)c1)-c2c(cc(Cl)c(C#N)n2)C(OC)=O	140
+c1c(F)cc(cc1C2NC(COC2)=O)F	467
+C1CC(CCO1)c2cc(F)cc(c2)F	191
+c1(cc(cc(F)c1)C2(SCCCS2)C(c3ccc(cc3)OC(F)F)O)F	3077
+c1cc(ccc1)C2=NC(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4ccccc24)C	207
+c1cnccc1C2NC(=O)C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)c4ccccc24	207
+c1cc(ccc1)C2C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4c(cccc4)O2)CC#C	207
+c1c(F)cc(cc1CC(=O)NC(C(=O)O)C)F	4
+Fc1cc(cc(F)c1)CC(N)C(C2N(Cc3ccc(cc3)OC)Cc4c(cccc4)C2)O	886
+C1CN(CCN1C)c2ccc(c(N)c2)C(Nc3[nH]nc4c3cc(cc4)Cc5cc(F)cc(c5)F)=O	0
+c1cc(Oc2cccc(c2)F)ncc1Br	1237
+c1cc(ccc1C(O)c2cccnc2F)F	2988
+O(c1c(C(=O)O)c(I)ccn1)C	1
+c1cc(ccc1F)-c2ccc(cc2F)CCc3cc4ccccc4cc3	10633
+O=C1c2c(C(=O)N1CCOc3cc(ncc3)Oc4c(cc(Cl)c(c4)Cl)I)cccc2	332
+c1cc(ccc1Br)Sc2c(Cl)cccc2	826
+c1ccccc1-c2ccc(cc2)-c3c4[nH]ccc4cc(c3)[N+]([O-])=O	10634
+c1(F)c(cc(cc1)C#Cc2cc(C#N)cnc2)CO	129
+c1cnc(o1)-c2cc(Cl)c(C)cc2	4776
+c1c(I)cc(cc1Br)O	5
+n1cc(cc(C#N)c1)C#Cc2cc(c(F)cc2)O	129
+c1ccn(c1)-c2cc(cc(Nc3ccc(I)cc3[N+](=O)[O-])c2)NC(C)=O	275
+c1c(I)cc(c(NC2=CC(=O)N(C)C=C2C(=O)O)c1)F	108
+c1c(I)cc(c(NC2=CC(=O)N(C=C2N)C)c1)F	10635
+c1c(I)cc(c(Nc2c(ccc3cncn23)C(=O)O)c1)F	1
+c1c(I)cc(c(Nc2c(F)c3nnsc3cc2C(=O)O)c1)F	1
+c1c(I)cc(c(Nc2c(ncc3cncn23)C(=O)OC)c1)F	5033
+c1c(I)cc(c(Nc2c3cnsc3ccc2C(NOCCO)=O)c1)F	1000
+c1ccccc1COc2c(C=O)ccc(I)c2	22
+c1ccccc1COCCCC2(CC2)S(=O)(=O)NC=3C(Nc4c(F)cc(I)cc4)=C(C(N5CCOC=35)=O)C	4945
+c1c(I)cc(c(c1)NC2=C(C(N3C(OCC3)=C2N)=O)C)F	10636
+c1c(I)cc(c(c1)NC=2C(N)=C3SCCN3C(C=2C)=O)F	10637
+c1ccccc1COC2CC(C2)S(=O)(=O)NC=3C(=C(C(=O)N4CCSC=34)C)Nc5ccc(I)cc5F	10638
+c1cc(ccc1COc2cc(I)cc(Br)c2)OC	139
+c1c(I)cc2c([nH]nc2C=O)c1	2231
+c1([nH]c2c(cccc2)n1)-c3n[nH]c4c3cc(I)cc4	567
+c1ccccc1OCc2cc3c(ccc(c3)I)o2	4701
+Nc1c(N)c(C)c(cc1)[N+]([O-])=O	0
+c1c(N)c(cc(Br)c1Br)N	0
+c1cnccc1SCC(Nc2cccc(c2)-c3n4ncc(C(c5sccc5)=O)c4ncc3)=O	33
+c1ccccc1CNC(Nc2cccc(-c3cnc(N)c(n3)C(=O)NC)c2)=O	406
+c1cc(ccc1)C(=O)NC(Nc2cc(ccc2)-c3nccc(OC)c3)=S	865
+c1ccccc1COC(Nc2cccc(C(O)CO)c2)=O	90
+c1c(N)cc(Cc2n(CC)ccc2)cc1	3156
+c1cc(ccc1Nc2ncnc(Nc3cccc(c3)C)c2)O	73
+c1cc(ccc1OCCCCCCCCCCCCCC)C(=O)Nc2cccc(CO)c2	50
+c1cc(ccc1OCCCCCCCCCCCCCC)CC(=O)Nc2cccc(CO)c2	26
+c1c2c(ccc1OCCCCl)c(Nc3cc([nH]n3)CC(Nc4cccc(c4)F)=O)ncn2	33
+c1nc(ncc1Br)Nc2cc(ccc2)F	55
+c1cc(ccc1)C(=O)N(C)CCC=Cc2cccc(c2)N	1046
+c1(I)cccc(c1)NC(=O)Nc2cccc3c2CC(O)CC3	446
+c1cc(ccc1CC(OCC)=O)Sc2cc(ccc2)N	826
+n1cc(cnc1Cl)C#Cc2cccc(N)c2	1472
+O=S(=O)(Cl)c1ccc(cc1)NC(=O)Nc2cc(C#N)ccc2	124
+C(COc1cccc(C(=O)OC)c1)(Nc2cccc(C#N)c2)=O	33
+c1(C(=O)OC)cc(NC(c2c(cccc2)C)=O)ccc1	50
+O=S(=O)(c1ccc(cc1)-c2ccc(F)cc2F)Nc3cccc(c3)C=C	69
+COc1ccc(Br)c(c1)CNc2nc(ncc2Cl)Nc3cccc(c3)CCCO	55
+c1ccccc1C(=O)Nc2cccc(N3CCc4c(cnc5ccnn45)C3)c2	50
+c1cc(ccc1Nc2cccc(c2)O)[N+](=O)[O-]	275
+c1cc(ccc1[N+]([O-])=O)Oc2cc(ccc2)N	46
+c1c(N)cc(Oc2nnc(cc2)Cl)cc1	1119
+c1(N)nc(ccn1)-c2c(c3cc(ccc3s2)Nc4cccc(OC)c4)C	230
+c1cc(ccc1)C(=O)Nc2c3ccccc3c(S(=O)(=O)Nc4cc(OC)ccc4)cc2	69
+c1cc(ccc1Oc2ncnc(Nc3cccc(OC)c3)c2)[N+]([O-])=O	73
+c1ccccc1CCc2cc3c(cc2)[nH]c4ncc(cc34)Nc5cccc(OC)c5	10639
+n1c(c2occc2nc1Cl)Nc3cc([nH]n3)C(Nc4cccc(OC)c4)=O	187
+c1cc(ccc1F)C(=Nc2cc(OCC)ccc2)N	1748
+c1cc(ccc1C)C(Nc2cccc(OCC)c2)=N	3121
+c1cc(ccc1C=2C(N(C3(CCOCC3)N=2)CC(=O)Nc4ccc(c(F)c4)F)=O)Cl	33
+c1(F)cc(ccc1F)Nc2nc(nc3c2cccc3)-c4cnncc4	10640
+c1(cc(Cl)ncn1)Nc2nc(ccc2)N	349
+c1ccccc1-c2cc(ccc2)CC(Nc3cccc4CCC(Cc34)O)=O	11
+C1C(C(=C2c3cc(F)c(N)cc3CC2(CCCC)C1)Br)=O	106
+Nc1cc(C)c(C(=O)C)c(Cl)c1	106
+c1(cc(Cl)c(F)cc1)NCC	15
+c1cc(N)c(NC(c2cc(ccc2)C#N)=O)cc1	0
+c1ccccc1COc2cccc(NC)c2[N+](=O)[O-]	57
+c1c(ncnc1NC)Nc2c(F)cc(F)cc2	73
+c1cc(ccc1Nc2cc(NC)ncn2)N3CCOCC3	73
+c1cc(N)c(NCc2cnccc2)cc1	0
+c1cc(N2C(Nc3c(OC)cc(c(F)c23)F)=O)c(F)cc1I	10641
+c1ccc(c(Nc2ccccc2C)c1)N	0
+c1c(Nc2c(N)c(OC)cc(F)c2F)c(F)cc(I)c1	0
+c1c(Nc2c3nccn3nc(c2)-c4cccc(c4)C=O)nc(cc1)N5CCCC5C	39
+c1cc(ccc1)Oc2ccc(cc2)Nc3ncnc(Nc4cccc(NC)n4)c3	73
+c1ccccc1C2=C(CN(C(=O)C)CC2)COc3c(C=O)c(ccc3)O	10642
+c1ccccc1S(=O)(=O)Oc2cc3cc[nH]c3c(Br)c2	681
+c1cc(ccc1Cl)Oc2cccc(c2)O	304
+c1cc(ccc1COc2cc(O)ccc2)Cl	22
+c1cc(ccc1CC(=O)c2ccc(O)cc2O)F	214
+c1(ccnc2c1cc(c(OC)c2)OC)Oc3cc4cc(ccc4cc3)O	242
+O=Cc1c(c(OC)c(cc1)O)[N+]([O-])=O	173
+c1cc(ccc1OCCCCc2cc(OC(=O)C)ccc2)CCN3C(OC(c4ccc5OC(C)(C)OCc5c4)C3)=O	8
+C1Cc2c(NC1=O)c(F)cc(c2)O	173
+C1CC1(C(OC)=O)Oc2ccc([N+]([O-])=O)c(F)c2	5017
+c1ccc(OC(Cc2c(C)ccc3c2cccc3)C)c(N)c1	0
+C(c1c(O)c(ccc1OC)C=O)CC	732
+c1c(OC)c(Cl)ccc1CO	98
+c1c(c(Cl)ccc1CC#N)O	5
+Nc1cc(cc(OC)c1N)C#N	0
+c1(O)c([N+]([O-])=O)cc(cc1O)C(=O)C	5
+c1cc2C(C#N)CCCc2c(c1OC)[N+]([O-])=O	4966
+c1(c(cccc1OC)O)C(C)CC	5
+c1c(OC)c(c(cc1)OC)CNC(Nc2nc(ccc2)-c3ccc(cc3)F)=N	10643
+c1c(OC)c(c(cc1-c2c(C(=O)Nc3c(cccc3)-c4ccc(CC(O)=O)s4)cccc2)OC)OC	4
+c1c(OC)c(c(cc1-c2c(C(O)=O)cccc2)OC)OC	1
+COc1cc(cc(OC)c1OC)-c2nc(cs2)C=O	1348
+c1c(OC)c(c(cc1CC=O)OC)OCc2ccccc2	24
+c1c(OC)c(c(cc1Nc2nc(nn3c2c(nc3C)C)-c4cc(N)ccc4)OC)OC	0
+c1ccccc1COc2cc(C#N)ccc2OC	22
+c1c(OC)c(cc(-c2c(C)ccc(n2)C#N)c1)F	10644
+c1cc(ccc1NC(C)=O)C(c2cc3NC(C(=CNc4cc(O)c(cc4)OC)c3cc2)=O)=O	1300
+c1c(OC)c(cc([N+]([O-])=O)c1)-c2cc(CN)ccc2	107
+c1c(ccc(C#N)c1OC)CO	98
+c1c(OC)c(ccc1C(=O)O)Cn2c3cc(C=CC(NCCC)=O)ccc3cc2	1
+c1c(CC=O)ccc(C#N)c1OC	24
+c1c(OC)c(ccc1CNCCNc2cc(OC)cc(Br)c2)OC	15
+c1c(OC)c2oc(CO)cc2c(c1)Br	3155
+c1c(OC)cc(cc1C(c2cc3c(cc[nH]3)cc2)=O)OC	1217
+COc1cc(cc(OC)c1)C(c2cccc(OC)c2)=O	335
+c1cc(ccc1CCC(NCCc2cc(OC)cc(OC)c2)=O)F	9
+c1(cc(cc(OC)c1)CN2C(=C(c3ccccc3)c4c(cccc4)C2=O)C(=O)OC)OC	562
+Fc1cccc(F)c1-c2nc3c(s2)c(OC)cc(c3)OC	2179
+c1cc(ccc1OC)C(c2cc(c(OC)cc2OC)CCC(OC)=O)=O	222
+C(OC(CCc1ccc(cc1F)O)=O)C	5
+c1cc(ccc1OC)C(=O)c2c(OC)cc(c(CCC(OCC)=O)c2)OC	222
+c1cc(ccc1)-n2c(cc(NC(C34C(C(=O)N(Cc5c(OC)cc(OC)cc5)C3)C4)=O)n2)-c6cc(CCC)ccc6	142
+CCOC(=O)c1c2CNC(c3ccccc3-n2cn1)=O	4319
+C1(C(C)C(C(=O)O)CN1)=O	3157
+c1cc(ccc1)CC(=O)NC2C(N(Cc3c(cc(cc3)OC)OC)C2=O)C(=O)OC	952
+C1(CC(NC1)=O)C(=O)O	3157
+c1(cc2cc(OC)ccc2nc1Cl)[N+]([O-])=O	2298
+c1c2c(ccc1O)c(-c3cnccc3)cs2	5
+n1(CC)cc(c2ccc(cc12)O)C#N	5
+c1cc(ccc1-c2c(c3ccc(OC)cc3n2CC)C#N)O	10645
+c1cc(ccc1)Sc2c3c(cc(OC)cc3)ncc2	5026
+c1c(OC)ccc2c(OCC(NNc3nnc(cc3)Cl)=O)ccnc12	355
+c1c(OC)ccc2c(ccnc12)OCc3nnc4n3nc(cc4)Cl	2736
+c1c(OC)ccc2c(c(C(CCO)CCCC)sc12)C	21
+c1cc(ccc1-c2nccnc2NS(=O)(=O)c3ccccc3Cl)Cn4c(C)cc5cc(ccc45)OC	962
+c1c(OC)ccc2c1n(c3CCCC(=O)c23)CC(=O)O	3
+c1cc(ccc1F)C#Cc2c(C#N)c3c(cc(OC)cc3)n2CC	10646
+c1nc2c(ccc(c2)O)s1	5
+c1c(OC)ccc2nc(NC(=O)CO)sc12	948
+C(Sc1nc2cc(OC)ccc2nc1)C=O	24
+c1c(ccc2oc(C(=O)O)cc12)O	5
+c1c2c(sc(C(=O)OC)c2)ccc1O	5
+C1CC(CCN1C(=O)COc2c(cc(cc2)C3=NNC(CC3)=O)Cl)NCC(COc4ccccc4)O	731
+c1(C=O)cc(OCC)c(Cl)cc1	39
+c1(OCC)cc(cc(OCC)c1F)C=O	39
+c1cc(ccc1C(c2ccc(cc2)F)CCCCC(=O)N3CCN(CC3)CCOc4cc(c(OC)cc4)OC)F	28
+c1c(OCCCCl)c(cc(C(C)O)c1)O	74
+c1c(OCCCCl)c(cc(c1)C(=O)C)O	5
+c1cc(cc(I)c1OC=C)CCCO	5034
+c12c(cccc1)C(=O)N(C2=O)OCCOc3c(N)cc(cc3)C#N	1395
+c1c(OCCOC(C)=O)c(cc(N)c1)OC	0
+c1cc(ccc1OC(=CC)C(=O)Nc2ccc(c(c2)OC)OCCOC3CCCCO3)C4CC4	10647
+c1c(OCCOC2OCCCC2)c(cc(N)c1)OC	0
+c1c(OCCn2cc(cn2)N)cccc1OC	209
+Fc1c(cc(Oc2c(O)cccc2)c([N+]([O-])=O)c1)NC(C)=O	5
+c1cc(ccc1)CC(=O)NC(=S)Nc2cc(F)c(Oc3c4sc(cc4ncc3)S(C)=O)cc2	2095
+c1cc(ccc1CCC(OC)=O)OCc2cc(Oc3cc(ccc3)C)ccc2	20
+c1(C(=O)O)cc(Oc2ccc([N+]([O-])=O)cc2Cl)cnc1	1
+c1cc(ccn1)-c2nc(nc(Nc3cc(c(cc3)Oc4cc5cn[nH]c5cc4)F)c2)N	73
+c1cc(ccc1)C(OCCn2ccc3ncnc(c23)Nc4ccc(c(Cl)c4)Oc5cccc6C(NCc56)=O)=O	1190
+c1c(Oc2cccc3c2CNC3=O)c(Cl)cc(N)c1	0
+c1cc(ccc1)C(OCCn2ccc3ncnc(c23)Nc4ccc(c(Cl)c4)Oc5cccc6sncc56)=O	1190
+c1c(Oc2cccc3sncc23)c(cc(c1)Nc4ncnc5ccn(C)c45)Cl	1190
+c1c(Oc2cccc3sncc23)c(Cl)cc(N)c1	0
+c1cc(ccc1F)CC(=O)NC(=S)Nc2cc(c(cc2)Oc3cc(Cl)ncc3)F	2095
+c1cc(ccc1)N2CCN(C2=O)C(Nc3cc(c(Oc4ccc(O)nc4)cc3)F)=O	10648
+c1c(OC)ccc(c1Cl)Oc2nc(SC)nc(NCc3nc4c([nH]3)cccc4)c2	40
+c1cc(ccc1C=O)Sc2ccccc2Br	815
+c1cc(ccc1)Nc2ccccc2SC	230
+c1(c([N+]([O-])=O)cccc1N)C=C	0
+Nc1cc([N+]([O-])=O)cc(c1)Br	0
+C(=O)(OCCCCCCCCOC(C(=C)C)=O)c1cc(cc([N+]([O-])=O)c1)N	0
+Nc1c(C)ccc(C(C)O)c1	0
+c1ccccc1Sc2c(cc(cc2)C)[N+]([O-])=O	825
+c1cc(ccc1F)COc2cc(c([N+]([O-])=O)cc2)F	139
+c1ccccc1COc2cc(c([N+]([O-])=O)cc2)F	22
+c1cc(ccc1)Nc2c(F)c(N)c([N+]([O-])=O)cc2C(=O)OC	275
+c1(c(C)cccc1)Nc2c(c(c([N+]([O-])=O)cc2C(OC)=O)N)F	275
+c1c2c(cc(-n3ccnc3)c1[N+]([O-])=O)NC(=O)C(N2O)=O	431
+c1cc(C=CC(OC)=O)cc(N)c1OC	0
+c1c([N+]([O-])=O)c(ccc1C=CCO)OCOC	2219
+c1cc(ccc1SCC=Cc2cc(c(OCOC)cc2)[N+](=O)[O-])Cl	10649
+Nc1cc(C)cc2CCOc12	0
+n1(c(c(nc1Sc2c(cc(N)cc2)Cl)C)C)CC	0
+c1(N2C=CC(=CC2=O)C)cc(N)cc(c1)C(=O)OC	0
+c1c([N+]([O-])=O)cc(N2CCCCC2=O)cc1C(=O)OC	1525
+Nc1cc(cc(OCC)c1)C(=O)OC	0
+c1c(C#N)cc(N)cc1[N+]([O-])=O	0
+c1c2c(cc(cc2)COc3cc(cc(C(=O)OC)c3)[N+]([O-])=O)ccc1	22
+O=S(=O)(Cc1ccccc1)c2c(ccc([N+](=O)[O-])c2)Cl	10650
+c1c(OCCOC)c(I)cc(N)c1	0
+Nc1sc2c(ccc(N)c2)n1	0
+c1ccccc1C(=O)Nc2nc3c(s2)cc([N+]([O-])=O)cc3	548
+n1c(SC)nccc1-c2c(nn3c2cccc3)-c4cc([N+]([O-])=O)ccc4	4694
+C(C)(c1cccc([N+]([O-])=O)c1)O	74
+c1([N+]([O-])=O)cccc(Cc2n(C)ccc2)c1	10651
+c1c(N)cc(cc1)C(=O)c2cccn2CCCC	0
+n1cc(-c2cc(ccc2)[N+]([O-])=O)nc3ccccc13	4249
+n1(-c2cccc([N+]([O-])=O)c2)ccnc1	1444
+n1ccccc1NCCCO	174
+c1cc(ccc1C)C(Nc2nc(-c3ccccc3OC)cs2)=O	548
+c1c(c(-c2n(C)ncc2Cl)cc(N)c1)OC	0
+O=Cc1csc(-c2c(cc(C)cc2)[N+]([O-])=O)n1	1348
+c1cc(ccc1)OC(c2c(OC)ccc(c2C)F)=O	852
+N(C(N)=O)Cc1c(c(C(=O)O)ccc1)C(O)=O	1
+c1c(OC)c(cc(-c2nnn[nH]2)c1)C(=O)O	1
+c1c(OC)c(cc(c1)C(=O)C)C(=O)O	1
+c1c2ncn(-c3cc(OCc4ccccc4C)c(C(OC)=O)s3)c2ccc1	3080
+c1ccccc1COc2cc3n(nc(c3-c4sc(c(n4)-c5c(cccc5)F)C(=O)OCC)C)cc2	10652
+C1CN(CCN1C(=O)OCc2ccccc2)c3scc(-c4ccccc4F)n3	354
+c1c(c(C)c(NCc2c(F)ccc(c2)-c3cc(ccc3)F)c(F)c1)O	162
+c1c(CCO)c(C)c([N+]([O-])=O)cc1	21
+c1cc(ccc1OC)-c2c(oc(n2)COc3cc(c(OCC(=O)OC)cc3)C)Br	10653
+c1ccc(Cl)c(-c2n(c3c(cccc3)n2)-c4c(cc(cc4)O)C)c1	5
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(c5c4cc(c(C)c5)[N+]([O-])=O)Br	2271
+c1c(c(c(Cl)cc1F)CO)F	41
+c1c(c(CC)c(Br)cc1)CCN	157
+c1c(c(Cl)c(F)cc1)NC	695
+c1(c(Cl)cc(C(Nc2ccccc2C(OC)=O)=O)cc1)OC	67
+c1cc(ccc1CC(=O)OCC(c2ccc(OC)c(Cl)c2)=O)OCc3ccc4ccccc4n3	1231
+c1c(c(Cl)cc(N)c1)OCc2cnccn2	0
+c1c(c(Cl)cc(N)c1)OCc2ncccc2	0
+c1ccccc1COc2c(ccc(c2)CC#N)Cl	22
+O(c1c(Cl)ncc(C(=O)O)c1)C	1
+c1c(c(Cl)ncc1Oc2cccc(N)c2)F	106
+c1(c(ccc(Cl)c1C(=O)O)O)F	5
+c1cc(ccc1NC(c2c(c(OC)ccc2Cl)F)=O)CC(OCC)=O	67
+n1(c2cnccc2c(n1)C(=O)N)CC(=O)N3C4CC4CC3C(NCc5cccc(Cl)c5F)=O	348
+c1c(c(c(C(=O)O)c(C)c1)F)OC	1
+c1c(c(F)cc(N)c1)OCc2cccc(F)c2	0
+c1cc(ccc1C(=O)Oc2ccc(c(c2)F)C#N)OC(C=CC)=O	5035
+c1ccccc1COc2cc(c(C#N)cc2)F	22
+c1c(c(F)ccc1C(=O)O)Oc2ccnc(Cl)c2	1
+n1c(c(-c2nc(NC)ncn2)ccc1)Oc3ccc(c(c3)C(=O)O)F	136
+c1n(nc(I)c1C(=O)O)C2CCCCO2	6
+c1c(c(N)c(C)cc1F)F	4256
+c1(c(N)cc(c(Sc2cccc(C)c2)c1)Cl)N	0
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc([N+]([O-])=O)c3)ccc1F)F	230
+c1cc(ccc1C(=O)c2c(OC)ccc(Br)c2)Nc3c(F)cc(F)cc3	230
+c1cc(ccc1OC)COc2ccc(c(c2)C(c3ccc(Nc4c(F)cc(cc4)F)cc3[N+]([O-])=O)=O)C	230
+c1c(ccc(c1F)NC(Nc2nccs2)=O)Oc3c4cc(C#N)c(OCC5CO5)cc4ncc3	446
+c1cc(ccc1NC(=O)Nc2ccc(Oc3c4c(cc(OCC5OC5)c(C#N)c4)ncc3)cc2F)F	124
+c1cc(ccc1C)S(=O)(=O)OCCc2nnn(c2)-c3cc(C(=O)c4c(cc(Nc5ccc(F)cc5F)cc4)Cl)c(cc3)C	36
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(N)c3)ccc1F)F	0
+c1c(c(Nc2cc(N)c(cc2)C(=O)c3c(C)ccc(OCCCO)c3)ccc1F)F	0
+c1ccccc1COc2c(CC(OC)=O)cc(cc2Br)Br	22
+c12c(Cl)cccc1CCCO2	126
+c1cc(ccc1-c2cc(cc(c2O)[N+]([O-])=O)C(OC)=O)F	11
+Nc1c(O)c(cc(F)c1)-c2cc(C(=O)O)ccc2	0
+[N-]=[N+]=NCc1cccc(c1OC)Br	10654
+c1(c(c(CC=O)ccc1)OC)OC	1292
+O=C(c1c(OC)c(c2c(c1)CCCC2)I)O	1
+c1c(c(O)c(cc1F)O)F	5
+c1c2c(nc(-c3ccc(c(OC)c3)Cc4ccccn4)o2)ccc1	10655
+c1ccccc1OC(Nc2cc(c(cc2OC)C)C)=O	90
+c1c(c(OC)cc2c1N(C(=O)OC2)C)CC=O	1156
+C1CN(CCC1C(=O)c2ccc(cc2)F)CCN(c3ccccc3OC)C(c4cccc(c4)OC)=O	61
+c1c(c(OC)ccc1)N(C(=O)c2cccc(OC)c2)CC=O	24
+c1c(c(OC)ccc1)N(CCO)C(=O)c2cccc(OC)c2	168
+C1(Nc2cccc(c2OC1)CC=C)=O	2729
+c12ccc(cc1cc(CO)o2)-c3noc(-c4ccc(c(OCC)c4)OCC)n3	529
+c1ccc(c(N)c1)OCCF	1599
+c1cc(ccc1C)S(=O)(=O)OCCOc2ccccc2Br	36
+c1c(c(N)c(C(Nc2cccc(c2C)Br)=O)cc1F)F	0
+C1C(=O)Nc2c1cccc2F	1089
+c12NC(Cc1ccc(c2)-c3cc(OCC)ccc3)=O	1089
+c1c(c([N+]([O-])=O)cc(-c2cc(OCC)ccc2)c1)CC(O)=O	4
+c1ccccc1COc2c(cc(c([N+](=O)[O-])c2)Br)F	22
+c12C(CCc1cc(N)c([N+]([O-])=O)c2)=O	106
+c1cc(ccc1S(=O)(=O)OCCc2ccccc2[N+](=O)[O-])C	36
+c1(c(ccc(C)c1C(=O)O)O)F	5
+c1c(c(c(c(F)c1)N)C#N)OC	1497
+c1c(-c2cc(ccc2)F)cc(c(F)c1C)CNc3c(ccc(c3C)O)C	162
+n12c(C)nnc1c(NCc3c(C)cccc3CC)cc(c2)C(=O)OC	2951
+c1c(CCO)c(c(C)cc1)[N+]([O-])=O	21
+c1cc(N)c(c(c1OC)[N+]([O-])=O)CC	0
+c1c(c(c(Cl)cc1)C)Cn2c(nc3c(Br)cc(N)cc23)CF	0
+c1cc(ccc1[N+]([O-])=O)Cc2c(c(ccc2)Cl)Cl	2300
+c1(c(c(ccc1CO)OC)Br)F	41
+c1ccccc1C=C(Cc2cccc(c2C)F)[N+](=O)[O-]	1734
+c1([N+]([O-])=O)cccc(CC)c1N	106
+c1c(Br)c(c(N)cc1C#N)Cl	0
+c1(c(ccc(c1C#N)I)O)F	5
+c1c(c(F)c2cc(C)[nH]c2c1)OC	3345
+c1c(c(c(cc1)OC)C)CCN	157
+C(OC)CCc1cc(cc(c1C)Br)C(=O)OC	374
+O=Cc1cc(c(c(c1)C=CCOC)C)Br	1766
+C1C(C(=C2C(CCCC)(C1)Cc3c(c(ccc23)O)Cl)C)=O	5
+c1(c(c2cc(C)n(c2cc1)C)F)O	5
+c1c(c(cc(-c2noc(C(=O)O)c2)c1)C)OCCc3cc4C(=O)N(c5c(N(c4nc3)CC)nccc5)C	6
+C(C)OC(c1onc(-c2cc(C)c(cc2)O)c1)=O	241
+Oc1c(cc(cc1)C(=O)c2ccccc2Cl)CC	5
+c1(ccc(cc1F)F)C=Nc2cc(Br)c(cc2O)F	457
+O(CC)C(C=C(c1ccc(N)cc1F)C)=O	1191
+c1(c(cc(c(OC)c1)CC)N)OC	0
+c1c(c(cc(c1)-c2nsc3ccc(N)cc23)C)OC	0
+c1c(c(cc(C(=O)O)c1)C#N)OC	1
+O(c1c(cc(cc1)CN)OCC)Cc2ccc(nc2)OC	817
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(CCC(=O)O)n2)Cl)OC	4
+c1c(c(cc(c1)Nc2c3cc(N)c(OCC)cc3ncn2)Cl)OCc4cccc(F)c4	0
+O=Cc1c(Oc2cc(c(Cl)cc2)Cl)ccc(c1)Br	46
+c1c(Br)c(C#N)cc(N)c1N(C(C)CCl)C	0
+c1cccc(-c2c3c(n[nH]2)ccc(-c4[nH]nnn4)c3)c1O	5
+c1cc(ccc1C(=NNc2cc(nc(CC)n2)-c3ccccc3OC)C)N(C)C	1713
+c1cc(ccc1C(C)=NNc2cc(nc(CC)n2)-c3ccccc3OC)C	1713
+c1cc(ccc1)COc2c(cccc2)-c3ccccc3Br	11
+c1cc(ccc1)COC(NC(C)C(=O)Nc2c(cc([N+]([O-])=O)cc2)C(c3ccccc3F)=O)=O	33
+c1(ccccc1C)C(N2c3ccccc3CC2)=O	448
+c1cc(ccc1C(=O)N2CCc3cnc(C)nc3-c4ccccc24)NC(c5c(C)cccc5)=O	50
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3Cc4cccn4Cc5c3ccs5	50
+c1cc(ccc1C(C)C)CN(C(=O)CCc2ccc(cc2)OCc3ccccc3C(OC)=O)CCCOCC	22
+c1cc(ccc1CCC(N(CCC)Cc2ccc(F)cc2F)=O)OCc3ccccc3C(OC)=O	22
+c1cc(ccc1CCCO)OCc2ccccc2C(OC)=O	22
+c1c2-c3c(CCOc2cc(Br)c1)cc(C(N(c4c(Cl)cccc4)C)=O)s3	4609
+c1c(-c2ccc3c(NC(CC(c4sc(cc4)C#N)=N3)=O)c2)c(ccc1)F	10656
+c1c(c(ccc1)F)-c2ncc(OCCO)cc2	95
+c1c(c(ccc1)F)-c2ncc(N)cc2	13
+c1cc(ccc1-c2cccc(OCC)c2)C3N(c4c(F)cccc4)N=C(C3)C(OC)=O	4899
+O=Cc1ccccc1I	39
+N(=[N+]=[N-])Cc1ccccc1I	925
+Oc1nc2c(cc1)cccc2Br	10657
+O=Cc1c(cccc1)Nc2cccc(C)c2C	39
+c1cc(ccc1Cl)OCCNC(CCc2ccccc2OC)=O	9
+O=S(=O)(c1ccc(cc1)C)CCOC(=O)CCc2c(OC)cccc2	27
+C1c2nc(C#N)ccc2C(NCCc3ccccc3OC)CC1	5036
+c1cc(ccc1C)S(=O)(=O)NCCc2ccccc2OC	71
+c1cc(N)c(NC(CCCCCN)=O)cc1	0
+c1c(c(ccc1)[N+]([O-])=O)NC(CCCCCN)=O	18
+c1cc(N)c(NCC)cc1	0
+n1c2nc(nc(O)c2ncc1)-c3cc(ccc3F)Br	10658
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	548
+CC(C)(C#N)c1c(cc(NC(c2cc(c(cc2)OC)OC)=O)cc1)-c3ccc(cc3)C	50
+c1(C=O)cc(c(cc1)-n2cc(nc2)C)OC	1766
+c1cc(ccc1OC)S(=O)(=O)N(Cc2cc(C)ccc2[N+]([O-])=O)C(C(OC)=O)CO	10659
+COc1cccc(-c2noc3cc(ccc23)F)c1	10660
+c1c(c(ccc1F)C2c3nc(nc(c3CC2)NC(C)CCCOc4cc(N)ccc4-n5cnc(C)n5)Cl)F	0
+c1ccccc1COc2ccc(O)c(C(C)=O)c2	22
+c1cc(ccc1C#CCNCc2ccc(OC)cc2OC)[N+](=O)[O-]	121
+c1c(c(Br)nc(c1)C=O)OC	178
+c1cc(ccc1F)-c2nnc(OC)c(OC)c2	519
+c1cc(ccc1)Sc2cc(c3c(CCCC3=O)c2)F	815
+c1c(cc(C)c2Cc3c(cccc3C)-c12)C	394
+Nc1cc(C)cc2c1OC(C)C2	0
+c1cc(ccc1Cl)C(c2c[nH]c3c(CSC)cccc23)(C)C4CC4	1263
+c1cc(ccc1Cl)C(c2cc(c(F)cc2)Cl)c3c[nH]c4c(cccc34)CSC	5037
+c1cc(ccc1C(c2c(cc(cc2)F)C)c3c[nH]c4c3cc(cc4CSC)F)F	5037
+c1cc(CO)c2c(c(C)ccc2)c1OCOC	41
+c1c(cc(CN)c(Cl)c1)Br	162
+O=C(c1cc(n(n1)-c2ccc(cc2C(=O)N3Cc4ccccc4CC3CO)Br)C)O	6
+c1c(cc(CO)cc1F)Br	49
+c1c(cc(c(Nc2c(cc(c(F)c2)-c3cc(C)c(Cl)cc3)OC)c1)C(=O)O)Br	1
+c1c(cc(C(O)c2ccc(OCC)c(F)c2)c(Cl)c1)Br	488
+c1cc(ccc1CNC(c2cc(ccc2F)Br)(CO)C)OC	42
+c1cc(ccc1-c2ccc(s2)C(=O)c3cc(ccc3Cl)Br)F	10661
+c1c(OC)ccc2[nH]c(nc12)-c3c(F)ccc(c3)Br	10662
+c1cc(ccc1-c2cc(c(cc2)F)C(=O)Nc3cccc(OCC(OCC)=O)c3)F	11
+c1c(cc(C(CC)=O)c(F)c1)Br	155
+c1c(cc(c(Cl)c1)Cc2ccc(OCC)c(c2)F)Br	452
+c1c(cc(C(=O)c2cccc(c2)F)c(F)c1OC)C#N	335
+c1c(cc(C)c(CO)c1)Br	98
+c1cc(c(F)cc1-c2cc(c(cc2)C(OC)=O)C)Nc3nc4c(cc(F)cc4)s3	2256
+c1cc(ccc1[N+]([O-])=O)-c2ccc(c(c2)C)C(=O)OC	11
+c1cc(ccc1-c2cccnc2N)Oc3cc(c(cc3)C)C	304
+c1c(cc(C)c(c1)CCOC(=O)Nc2cccc(C#N)c2)Br	589
+c1cc(ccc1-c2cccnc2N)Oc3cc(c(F)cc3)C	304
+c1cc(ccc1Oc2c(cc(F)cc2)C)-c3cccnc3N	754
+c1c(cc(C)c(CO)c1)Br	49
+c1cc(ccc1)Oc2ccc(c(c2)C)C(OCC)=O	304
+c1ccccc1S(=O)(=NC(c2cc(cnc2)C#Cc3ccc(c(c3)C)O)=O)C	129
+C(C(C)[N+]([O-])=O)c1cc(ccc1F)F	3150
+c1cc(c(cc1Br)C=O)Oc2cccc(c2)CC(OC)=O	46
+O(c1ccc(cc1C=O)Br)c2cc(ccc2OC)CC(=O)OCC	46
+c1cc(ccc1OC)Oc2c(cc(cc2)Br)C=O	46
+c1cc(ccc1OCC)-c2sc(cc2)Cc3cc(ccc3F)Br	5038
+s1c(Cc2cc(ccc2F)Br)ccc1-c3cc(ccc3)OCC	5038
+c1ccccc1C(c2cc(Br)ccc2F)O	704
+c1c(I)cc(CO)c(F)c1	41
+c1cc(ccc1-n2ncc3cc(I)ccc23)C(=O)O	5039
+c1cc(ccc1-n2c3c(cc(I)cc3)cn2)Cl	5039
+c1ccccc1COc2ccc(Br)cc2C=O	22
+c1c2c(c(nn2Cc3cc(ccc3)C#N)N)c(cc1)Cl	823
+c1c2c(c(nn2Cc3cc(ccc3)C#N)N)c(cc1)F	823
+c1cc(ccc1F)C(N2Cc3cc(OCc4cc(C#N)ccc4)nn3CC2)=O	10663
+C1CN(CCN1Cc2cccc(C#N)c2)c3ccc(cc3)[N+]([O-])=O	131
+C(c1cc(ccc1)C#N)n2ncc([N+]([O-])=O)c2	309
+CC1(C)Cc2cc(Br)ccc2O1	1658
+c1c(cc2cc([nH]c2c1)-c3c(F)cccc3Cl)Br	10664
+c1c(cc(CC(c2c(Cl)cccc2F)=O)c(c1)[N+]([O-])=O)Br	155
+c1c(cc(cc1)CCCO)C#N	21
+c1cc(ccc1C)S(=O)(=O)OCCCc2cc(Br)ccc2F	36
+c1c(cc(c(Nc2c(cc(c(F)c2)-c3cc(C)c(Cl)cc3)OC)c1)C=O)Br	39
+c1c(Br)cc2CN(C(c2c1)=O)C	10665
+c1ccccc1COc2c(cc(Br)cc2)CO	22
+c1cc(ccc1C(c2ccc(cc2)OC)(c3ccccc3)OCc4cc(C#N)ccc4)OC	604
+c1c(cc(Cc2occ(n2)C(=O)O)cc1)C(=O)C	1
+c1cc(ccc1-c2sc(F)cc2NC(OC(C)c3ccc(F)cc3Cl)=O)-c4ccc(cc4)C5(CC5)C(=O)OCC	2578
+c1cc(ccc1)-c2ccc(c(Cl)c2)C(=O)Nc3cc(CC(OCC)=O)ccc3	11
+c1cc(ccc1)-c2c(Cl)cc(Br)cc2	4665
+C1Cc2c(NC1=O)c(Cl)cc(Br)c2	2440
+c1c(cc(Cl)c(N2C(=O)NCC2)c1)Br	1760
+c1c(cc(c(c1)CC[N+](=O)[O-])Cl)Br	364
+c1cc(OCCCl)c(Cl)cc1Br	267
+c1cc(ccc1C=O)Oc2c(cc(Br)cc2)Cl	46
+c1cc(ccc1C#Cc2c(cc(Br)cc2)F)CCCCC	129
+c1(ccc(Nc2ccccc2[N+]([O-])=O)cc1F)C(OCC)=O	230
+C1N(CC1Oc2cc(ncc2)F)c3ccc(cc3)C(NC(C)=O)C	2009
+Ic1c(C=Cc2c(I)cc(cc2)Br)ccc(Br)c1	1521
+c1ccccc1C(Nc2c(ccc(Br)c2)C(=O)OC)=O	50
+c1cc(ccc1)-c2c(cc(cc2)Br)N	134
+c1c(cc(c(c1)CCOC(=O)Nc2cccc(C#N)c2)CC)Br	589
+c1c(cc(c(CO)c1)O)Br	49
+O=Cc1ccc(N2C=Cc3c(C2=O)ccc(OC)c3)cc1OC	2333
+c1cc(ccc1)COc2c3c(n(nc3Nc4cc(c(cc4)Cl)SC)C5C(CCOC5)C#N)ccn2	781
+c1c(cc(N)c(C(=O)OC)c1)Br	0
+c1cc(ccc1-c2ccc(F)cc2[N+](=O)[O-])F	667
+c1(N)cc(ccc1NC(C)CO)Br	0
+c1cc(ccc1)CNc2ccc(-c3oc4ccccc4n3)cc2[N+](=O)[O-]	60
+c1c(cc(N)c(c1)O)Br	0
+c1ccccc1COc2c(cc(F)cc2)[N+](=O)[O-]	22
+[N+](c1cc(CO)cc(Br)c1)([O-])=O	49
+c1c(cc2OCCCNC(c2c1)=O)Br	513
+c1ccccc1-c2ccc(C)c(C#N)c2	11
+c1(cc(ccc1C)Br)C=CCCOC	2053
+c1c(cc(CO)c(CBr)c1)Br	49
+c1c(cc(c(CBr)c1)C(=O)O)Br	1
+c1cc(ccc1-c2cc(ccc2F)OC)C3Oc4c(CC3)ccc(Br)c4	10666
+c1cc(ccc1C(c2c(ccc(Br)c2)Cl)=O)CCOC(=O)C	358
+Clc1ccc(cc1-c2nc3c([nH]2)cccc3)Br	1127
+n1cc(cnc1N2CCC(CC2)Oc3cc(ccc3Cl)Br)-c4nn(nn4)CC(OCC)=O	20
+c1cc(ccc1Oc2c(Cl)ccc(c2)F)[N+]([O-])=O	46
+c1c(Br)cc2c(c1)N(CC2)C(=O)Cc3cc(ccc3F)F	429
+c1cc(ccc1[N+]([O-])=O)Oc2c(ccc(F)c2)F	46
+c1c(cc(c(c1)-n2nccc2)[N+]([O-])=O)Br	926
+c1cc(ccc1)Sc2ccc(Br)cc2C(=O)O	826
+c1c(cc(C=Cc2c(I)ccc(c2)Br)c(I)c1)Br	1521
+c1cc(ccc1-c2cc(c(cc2)N)C#N)Cl	11
+c1ccccc1Cc2cc(C#N)c(cc2)N	2300
+c1cc(ccc1)S(=O)(=O)c2cccc3cc(C(Nc4c(C#N)cc(cc4)I)=O)[nH]c23	187
+c1c(cc(C(C)O)c(N)c1)Br	74
+c1cc(ccc1)C(O)(c2cc(ccc2N)Br)C	3847
+c1cc(ccc1OCC(=O)Nc2c(C(=O)OC)cc(cc2)Br)C#N	26
+c1c(cc(c(Nc2c(ccc(Cl)n2)C(=O)O)c1)F)Br	201
+c12c(cc(-c3ccncc3C)[nH]1)cc(Br)cn2	3152
+c1c(cc(c(NC2=C(C=C(C(N2C)=O)Br)C(=O)O)c1)F)Br	127
+c1c(cc(c(NC2=CC(=O)N(C)C=C2C(NOCCO)=O)c1)F)Br	1000
+c1c(cc(c(Nc2c(C(=O)OC)ccc3cncn23)c1)F)Br	1905
+c1c(cc(c(Nc2c(ccc(O)n2)C(=O)O)c1)F)Br	1
+c1c(cc(c(Nc2c(C(=O)OC)ccc(O)n2)c1)F)Br	104
+c1c(cc(c(Nc2c(ccc3cncn23)C(=O)O)c1)F)Br	1
+c1c(cc(c(Nc2c(cn3c(c2Cl)ncc3)C(=O)O)c1)Cl)Br	1
+c1c(cc(c(Nc2c(cnc(O)c2F)C(=O)O)c1)F)Br	1
+c1c(cc(c(Nc2c(C(=O)OC)cnc(O)c2F)c1)F)Br	104
+c1c(cc(c(Nc2c(C(NOCCO)=O)ccc3cncn23)c1)F)Br	1000
+c1c(cc(c(Nc2c(c3c(cc2C(=O)O)n(cn3)C)Cl)c1)Cl)Br	1
+c1c(cc(c(Nc2c(-c3nnc(CCl)o3)cn4c(c2Cl)ncc4)c1)F)Br	2145
+c1c(cc(CO)c(Nc2c(cc(c(F)c2)-c3cc(C)c(Cl)cc3)OC)c1)Br	49
+c1ccccc1CSc2cc(C=O)c(Nc3cc(c(cc3OC)-c4cc(c(Cl)cc4)C)F)cc2	607
+C(C(c1cc(c(cc1)O)OC)=O)CC(=O)O	5
+c1cc(ccc1F)-c2cccn3c2nc(n3)Nc4ccc(-n5cnc(C)c5)c(c4)OC	490
+c1c(cc(C(=O)N2Cc3ccccc3CC2CO)c(-n4c(C)cc(n4)C(=O)OCC)c1)Br	30
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+c1cc2c(cc1)C(c3ccccc3O2)C(C(=O)c4ccc(cc4C)Br)C(=O)OCC	10667
+c1cc(ccc1)-c2cc(c(C=O)cc2)F	11
+c1c(cc(F)c(C=C)c1)Br	10668
+c1c(cc(N)c(c1)CC)Br	0
+c1cc(ccc1Cl)-c2cc([N+](=O)[O-])c(cc2)CC	11
+C1c2c(F)cc(cc2C(CC1)=O)Br	214
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	14
+c1c(cc(c(c1)CCN)Cl)Br	157
+c1c(cc(c(c1)Cc2c(nn(-c3c(Cl)ccc(N)c3)c2C#N)CCCC)F)Br	0
+c1c(cc(c(c1)Cc2c(nn(-c3c(Cl)ccc([N+]([O-])=O)c3)c2C#N)CCCC)F)Br	331
+C(O)(C(Nc1ccc(Cl)c(c1)Cl)C)=O	3
+c1c(cc(N)c(c1)N(C)CCO)Br	0
+c1cc(ccc1)Cc2c(Oc3ccc(F)cc3C(C)=O)nc4c(cc([N+]([O-])=O)cc4)c2	10669
+c1ccccc1-c2ccc(cc2)CC(C(OC)=O)NC(=O)c3c(O)ccc(Br)c3	259
+c1c(cc2C(NOc2c1)=O)Br	3582
+c1cc(ccc1F)COC=2C=CN(c3ccc(c(OC)c3)O)C(C=2)=O	1614
+c1ccccc1Nc2c(ccc(Br)c2)[N+](=O)[O-]	275
+c1cc(ccc1)CNc2cc(ccc2[N+](=O)[O-])Br	60
+c1(NCc2cncc(F)c2)c(ccc(c1)Br)[N+]([O-])=O	60
+c1cc(ccc1COC2=CC(N(C=C2)c3cc(NC)c(cc3)[N+]([O-])=O)=O)Cl	1614
+c1ccc2C(=O)N(C(=O)c2c1)CCCc3cc(C(N)=O)ccc3	966
+c1cc(ccc1C(=O)Nc2ccc(c(NC(=O)c3cccc(CCl)c3)c2)C)C#N	50
+CC(c1cc(OCc2cc(c(cc2)Cl)Cl)ccc1)=O	139
+c1ccccc1COc2cc(C(C)=O)ccc2	139
+c1c(Oc2cc(C)ccc2)cc(cc1)CO	41
+c1ccccc1-c2cc(cc(C(NC)=O)c2)Br	134
+c1cc(ccc1-c2cc(cc(C(=O)O)c2)[N+](=O)[O-])C	134
+c1cc(ccc1)-c2cc([N+]([O-])=O)cc(C(=O)OC)c2	134
+c1c(cc2-c3nc(C(=O)O)sc3CCOc2c1)Br	6
+c1c2c(ccc1Br)CCCC2	165
+c1ccccc1COC(=O)Nc2c3[nH]cc(C4(CC)c5ccc(cc5CC4)F)c3ccc2	1263
+c1ccccc1CN2c3cc(ccc3OCC2=O)Br	1126
+c1c(cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2c1)CC(=O)O)Br	3
+c1cc2c(OCCC2O)cc1F	74
+c1c(cc2OCCCNCc2c1)Br	162
+c1c(cc2OCCc3c(sc(C(N(c4c(Cl)ccc(C(=O)O)c4)C)=O)c3)-c2c1)Br	1
+c1c(cc2OCCc3c(sc(C(=O)O)c3)-c2c1)Br	1
+c1cc(ccc1)Cn2c3ccc(Br)cc3c(c2C)C	190
+C1CC(CCN1C)c2c3c([nH]c2)ccc(c3)Br	671
+c1ccccc1COc2ccnc3c2cc(cc3)Br	260
+c1(ccc2c(c1)NC(=O)C(C)O2)Cn3ccnc3	2330
+c1cc(ccc1C(C)(C)C#N)Nc2c3c(ccc(Br)c3)ncc2[N+](=O)[O-]	179
+c1c(cc2c3c(NC(=O)N3CC(C)OC)cnc2c1)Br	10670
+c1c(cc2c(c(cnc2c1)C(=O)O)NCC(C)OC)Br	6
+c1ccccc1CSc2cc3c(F)cnc(O)c3cc2	607
+c1ccccc1CSc2cc3c(c(O)ncn3)cc2	2039
+c1(N)nc(ccn1)-c2sc3c(cccc3)c2C	562
+c1ccccc1CN2c3cc(Br)ccc3CCC2	507
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4ccc(cc34)Br	3891
+c1c(cc2c(c1)N(C(C)CC2Nc3ccc(cn3)C#N)C(=O)C)Br	70
+c1cc(ccc1)C(Nc2nccc3c2ccc(c3)Br)=O	10671
+c12c(cnc(N)c1)cc(cc2)Br	2203
+c1c(ccc2c3ccc(cc3n(c12)-c4ccccc4)Br)Br	2246
+c1cc(ccc1)Cn2c3cc(ccc3cc2)Br	190
+c1cc(ccn1)-c2cc3c(ccnc3)cc2	498
+c1c(cc2c(c1)n(C3CCCCO3)nc2C(=O)O)Br	1
+c1c(cc2c(c1)nc(Cl)c(CO)c2)Br	269
+c1cnccc1-c2ccc3nc(ncc3c2)N	498
+c1cc(ccc1)-c2cc3ccsc3cc2	11
+c1ccccc1-c2ccc3c(c(CCC(OC)=O)c[nH]3)c2	11
+c1cc(ccc1)CN2c3ccc(C#N)cc3-c4c(cccc4)C2=O	10672
+c1c(cc2c(ncnc2c1)-c3cc(C(=O)O)ccc3)Br	6
+c1cc(ccc1F)-c2cc3c(ncnc3cc2)O	11
+c1c(oc2c1cc(cc2)Br)CC	2361
+c1ccccc1S(=O)(=O)n2c3c(cc(F)cc3)c4C(NCCc24)=O	367
+c1cc(ccc1S(=O)(=O)n2ncc3c2ccc(Br)c3)C	3123
+c1cc(ccc1C)Cn2c(C(OCC)=O)cc3c2ccc(Br)c3	190
+c1cc(ccc1[N+]([O-])=O)Cn2c(C(OCC)=O)cc3c2ccc(Br)c3	190
+c1ccccc1Cn2c3ccc(Br)cc3cc2C(OCC)=O	190
+c1c(cc2c(c1)n(C)c(CO)c2)Br	194
+C1C(CN(C1)c2nnc(cc2)C#N)c3ccc4c(cc(C(Nc5cc(F)cnc5)=O)[nH]4)c3	212
+c1cc(ccc1CNc2c(I)cc3c(n2)ccc(Br)c3)OC	554
+c1cc(ccc1)COC(=O)N2CC(CC2)Cn3ccc4cc(ccc34)Br	1854
+c1cc(ccc1)Cn2ccc3cc(Br)ccc23	190
+c1ccccc1S(=O)(=O)n2c3c(cc(Br)cc3)cc2	367
+c1c(cc2ccc(C(=O)C)nc2c1)Br	1867
+c1cc(ccc1-c2ccc3c(c2)ccc(n3)C(C)=O)C(=O)C	11
+c1c(cc2ccc(N)c(N)c2c1)Br	0
+c1c(cc2ccc3cnc(C)n3c2c1)Br	10673
+c1ccccc1COc2cc3nccc(c3nc2)Cl	1900
+c1(C=O)cc2nn[nH]c2cc1	39
+c1c(cc2nonc2c1)Oc3c(cccn3)C(=O)O	6
+CC(C)(c1ccc(cc1)CNC(=O)c2c(Oc3ccc4nsnc4c3)nccc2)O	56
+c1c(cc2nsnc2c1)Oc3c(cccn3)C(=O)O	6
+c1c(cc2sc(c(C(=O)OCC)c2c1)Nc3cc(ccc3[N+]([O-])=O)F)Br	10674
+c1c(cc2sc(c(C(=O)OCC)c2c1)Nc3cc(ccc3N)F)Br	0
+c1c(ccc(-c2oncc2CO)c1F)F	903
+c1c(ccc(-c2oncc2CCCO)c1F)F	95
+c1c(ccc(-c2oncc2CCC(=O)O)c1F)F	3
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5cc(CN)ccc5-c4n3)c1F)F	107
+c1ccccc1COc2ccc(c(C#N)c2)Br	22
+N1c2c(cc(Br)c(Cl)c2)CCC1=O	2440
+c1cc(cc(OC)c1C#N)Cn2cncc2Cc3ccc(nc3)N4C=C(Cl)C=CC4=O	10675
+c1cc(ccc1CNC(C2=CN3C(=C(C)C(N(Cc4ccc(C(=O)OC)c(C)c4)C3=O)=O)S2)=O)F	1819
+c1cc(ccc1-c2sc(Cl)cc2NC(=O)OC(C)c3c(cc(cc3)F)F)-c4ccc(cc4)C5(CC5)C(=O)OCC	10676
+c1c(c(C(=O)c2cccc(OC)c2)ccc1F)F	335
+c1c(ccc(C(=O)O)n1)C(=O)NCc2ccc(c(Cl)c2)Cl	1
+c1c(ccc(CCC(OCC)=O)c1F)F	159
+c1c(ccc(C=Cc2occ(COc3cccc(c3)CCCn4nncc4)n2)c1F)F	547
+c1cc(ccc1OCc2nc(oc2)C=Cc3ccc(cc3F)F)CCCCO	547
+c1cc(ccc1CN(c2c(c([N+]([O-])=O)ccc2)C=C)Cc3ccc(cc3F)F)Oc4cc(ccc4)OCC=C	507
+c1c(ccc(CCCN)c1F)F	51
+c1c(ccc(CCC#N)c1F)F	143
+c1c(ccc(CCC(=O)O)c1F)F	3
+c1cc(ccc1CC)C(=O)NCc2ccc(F)cc2F	14
+c1cc(ccc1O)CCC(N(CCC)Cc2c(F)cc(cc2)F)=O	10
+c1c(ccc(COC2=C(C(N(C(=C2)C)c3c(C)cnc(c3)C(=O)O)=O)Cl)c1F)F	1
+C(c1ccc(Cl)c(Br)c1)N	162
+N(C)c1cc(Cl)c(F)cc1	695
+c1(C=O)ccc(-n2ncnc2)c(F)c1	2267
+c1cc(C(C)C(O)=O)cc(N)c1N	0
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCCCCCN(CCCC)C(=O)Nc4c(cc(cc4)F)F	326
+c1ccccc1CON2C(c3cc(c(Cl)nc3N(C2=O)c4ccc(cc4F)F)F)=O	10677
+c1cccc(N)c1C(Nc2ccc(cn2)Cl)=O	0
+c1cc(ccc1C(C(OC)=O)Oc2c(F)cc(F)cc2)S(=O)(=O)C3CCOCC3	2486
+c1cc(ccc1)COc2ccc(O)nc2	483
+c1c(ccc(Oc2cc(C(NC)=O)ccc2N)c1F)F	0
+c1c(N)c(cc(c1Br)Oc2c(cc(cc2)F)F)N	0
+c1(C)c(cc(c(Oc2ccc(cc2F)F)c1)Br)N	0
+c1c(ccc(Sc2c(N)ccc(C(NCC)=O)c2)c1F)F	0
+c1c(ccc(Sc2c(N)ccc(c2)C(=O)C)c1F)F	0
+O=Cc1cc(ccc1[N+]([O-])=O)C(=O)OC	39
+c1c(ccc([N+]([O-])=O)c1CO)C(=O)OC	59
+c1cc([N+]([O-])=O)c(-n2ccnc2)cc1F	431
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CCCO)CC2)=O)=O	168
+C(CCCc1cc(c(cc1)Cl)Cl)O	21
+c1c(ccc(-c2nc(ccc2C(=O)OCC)Cl)c1F)F	174
+c1c(ccc(c1F)-n2c(c(cn2)C(=O)O)N)F	6
+c1cc(ccc1)COc2ccc(C(C)=O)cc2OC	22
+c1ccccc1N2N(C(=C(C2=O)C(Nc3ncc(cc3)O)=O)C)C	10678
+C1CCN(C1)CCOc2ccc(cc2)Nc3nc4cc(C)cc(n4n3)-c5ccc6c(c5)OCCO6	490
+s1c(NC2C(O)CCCC2)nc3ccc(O)cc13	5
+c1ccccc1-c2c(ccc(OC)c2)-c3cc4c(c5ccc(Br)cc5n4-c6ccccc6)cc3	495
+COc1c(C(c2ccc3ccccc3c2)=O)c(F)ccc1Br	335
+c1cc(ccc1-c2cn3c(sc4cc(ccc34)O)n2)[N+](=O)[O-]	10679
+c1cc2nc(SC)sc2cc1Oc3c4c(cccc4)ncc3	242
+c1(nc2c(s1)cccc2)Oc3ccc4oc(C(OC)=O)cc4c3	1523
+c1c(cccc1-c2cc(O)c3c(c(O)cc(C(=O)O)n3)c2)C	1
+c1cc(ccc1)-c2cccc(c2)OCC(O)CN3CCc4c(C3)cccc4	11
+c1(-c2cn3nc(ccc3n2)Cl)cc(ccc1)C#N	1749
+c1c2NC(=O)CC(c3cc(ccc3)C#N)=Nc2ccc1I	1222
+N1c2cc(-c3cc(ccc3F)F)ccc2N=C(c4cc(ccc4)C#N)CC1=O	1222
+N1(CC(c2cc(ccc2)O)CCC1)CC3COc4c(cccc4)O3	15
+c1c(cccc1C2NCCC2)OC	15
+c1cnccc1CN2CCCC2c3cc(ccc3)OC	171
+c1cc(ccn1)C=Cc2cc(Nc3ncccc3[N+]([O-])=O)ccc2	914
+c1ccc(cc1OCCC(O)C)CC(OC)=O	267
+c1ccc(O)cc1OCC=C	173
+c1c(OCCn2ncc(c2)[N+]([O-])=O)cccc1OC	338
+c1c(Oc2cc(Br)c(F)cc2N)cccc1OC	0
+c1cc(cc(O)c1)Oc2ccccc2[N+]([O-])=O	5
+c1c(cccc1OCC2Cc3c(CC2)cc(C4CC(N)(CC4)CO)cc3)OC	886
+Clc1ccc-2c(c1)COc3c-2ccc(OC)c3	3034
+c1c(cc(N)cc1)C(=CC#N)c2cc(c(OC)cc2)OC	0
+c1c([N+]([O-])=O)cccc1C(=O)c2ccc[nH]2	1873
+c1ccc(cc1C(Nc2c(cccc2)Oc3cc(c(C#N)cc3)C#N)=O)[N+]([O-])=O	50
+c1c([N+]([O-])=O)cccc1C(=O)c2cccn2C	1873
+c1cc(ccn1)NC(=O)c2cccc([N+]([O-])=O)c2	50
+c1c(cn2c(nc(C)c2C(O)=O)c1OCc3c(F)c(ccc3F)F)C	6
+c1c(cnc(c1F)CO)F	629
+n1c(Cl)nccc1NC(C)c2ncc(cc2)F	40
+c1c(cnc(C(C)Nc2nc(c3ccncc3n2)Nc4ncn(C)c4)c1F)F	798
+c1c(cnc(C(C)N)c1F)F	524
+c1ccccc1COc2ccc(cc2)C(c3c(F)cc(cn3)F)=O	10680
+c1cc(ccc1CO)-c2ccc(F)cn2	119
+c1cc(ccc1CC(c2ncc(CC(C)(C)CC)n2C)N(C)C(=O)OCc3ccccc3)-c4ccc(F)cn4	4185
+n1n(cc([N+]([O-])=O)c1)CC(=O)Nc2ccc(cn2)F	1114
+C(=O)(c1ccc(nc1)NC(c2cnc(Br)cc2)=O)O	1
+c1c(cnc(C(=O)O)c1F)F	1
+c1(cc2c(nc1)CC3(c4cccnc4NC3=O)C2)C(=O)O	1
+c1cc(ccc1Cl)-c2cc(cnc2)C(=O)OC	89
+n1cc(cc(c1)-c2nnc(CCl)o2)Br	2145
+c1c(Cl)n(CC(O)=O)nc1Cl	3
+c1cc(ccc1O)CNc2c(ncc(n2)Br)N	941
+c1(c(ncc(Br)n1)N)C#Cc2cccc(c2)O	2350
+C1CC(CCC1)c2nc(ccc2F)C(=O)O	1676
+c1c(nc(cc1)C(=NOCCC=O)C)C	24
+c1(N)cccc(-c2ccnc(n2)NCCc3ccc(c(OC)c3)OC)c1	0
+c1cc(ccc1CCNc2cc(nc(Cl)n2)C(OC)=O)OC	40
+c1cc(cc(CCNC2CCCc3nc(ccc23)C#N)c1OC)F	5036
+c1ccccc1Nc2ccc3c(nc(N)cc3)n2	201
+c1c2nc(CO)cn2c(cc1)F	1125
+c1c2c(cc(c1)CNc3c4ccccc4nc(c3)C)N(c5c(nccn5)S2)COC	1731
+c1cc(ccc1CNc2c3ccc(-c4cc(ncc4)C)nc3ccn2)-c5ccnc(c5)C	2791
+c1cc(cnc1C(=O)O)-c2ccc(cn2)C#N	1
+c1cc(ccc1OC(OC2CN(CC2)c3cnc(cc3)C(N)=O)=O)[N+]([O-])=O	405
+c1cc(ccc1OC)CNc2ncc3c(c(ncn3)Nc4ccc(c(Cl)c4)Br)c2	182
+c1cc(ccc1OC)CNc2ncc3c(c(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)ncn3)c2	182
+c1cc(ccc1OC)CNc2ncc3c(c(Nc4ccc(c(Br)c4)F)ncn3)c2	182
+c1c(nccc1)CN(Cc2ccccn2)CC(NC3C(=O)N4C3SCC(COC(C)=O)=C4C(O)=O)=O	127
+c1cc(ccc1)N2C(=O)C(=C3COCCN23)C(=O)Nc4cc(c(Oc5ccnc(c5)C(N)=O)cc4)F	1349
+CCC(CO)Nc1ccncn1	511
+n1c2n(cc(Br)c1)cc(-c3c(Cl)ccc(NC(c4oc(cc4)C)=O)c3)n2	1129
+CC1(C)Cc2c(cc3c(oc(CC)c3)c2C(OC)=O)O1	1658
+c1cc(ccc1N(C)C)C(c2ccc3c(c2)cc(o3)CCN4C(C)CCC4)=O	705
+c1cc(ccc1C(=O)c2c(oc3ccc(cc23)F)CC)OC	3102
+c1(C)cc(N2CCNC2=O)sc1C(OCC)=O	10681
+c1(CCC)cc2CCc3ccccc3-c2cc1	165
+c12-c3c(cccc3)C(c1cccc2)COC(N4CCC(CC4)(c5ccc(cc5)Br)C(=O)O)=O	613
+c1cc(ccc1)C(c2ccccc2)=Nc3cc4c(cc3)-c5sc(cc5CCO4)C(N(C)c6c(Cl)cccc6)=O	2017
+c1ccc2C(=O)N(C(=O)c2c1)C3C(CCC3)OCc4ccccc4	149
+c1c2c(ccc1)C(=O)N(C2=O)CC(NCc3ccccc3)=O	9
+N1C(O)c2cc(F)c(cc2C1=O)F	5025
+C(C(=O)OC)C1c2ccccc2C(N(C)c3c1ccc(c3)O)=O	173
+c1c2C(CC(=O)OC)c3ccccc3C(N(C)c2cc(OCCCCNc4ncccc4)c1)=O	174
+c1c2C(c3ccccc3C(N(C)c2cc(OCCCCNc4ncccc4)c1)=O)CC(=O)O	4
+C1C(O)c2cnn(C)c2CC1	4242
+c1-2ccccc1N(CC)C(c3cc(cn-23)C=O)=O	200
+Fc1cc2c(NCC2)cc1F	15
+C1(CCN(C1)C)C2Cc3ccccc3C=C2	15
+c1c2CC(C3C(N(C)CC3)=O)C=Cc2ccc1	1781
+c1c2CC(Nc2ccc1C(c3cccc(NC(=O)c4cc(C)nn4CC)c3)=O)=O	187
+c1c2CC(Nc2ccc1C(c3cc(N)ccc3)=O)=O	0
+c1c2CCC(Cc2ccc1C(=O)OC)O	100
+c1cc(ccn1)OC2CCc3cc(ccc3C2)C(OC)=O	1372
+Ic1c2c(ccc1)nc(cc2)NC3CCc4ccccc34	554
+c1ccc2c(ccc(n2)NC3CCc4ccccc34)c1[N+]([O-])=O	554
+c1c2CCCC(N(C)Cc3nc4c(cccc4)n3CC(=O)O)c2ncc1	4
+c1c2CCCC(c2ccc1OCCn3ccnc3)=O	871
+c1cc(ccc1C=C2CCc3c(C2=O)ccc(OCCn4cncc4)c3)C(=O)O	1103
+c1ccccc1CC(C(OCc2ccccc2)=O)CC(N3Cc4cscc4C3)=O	731
+c1ccccc1S(=O)(=O)c2cnc(CNC(N3Cc4c(C3)n[nH]c4)=O)cc2	468
+O1COc2cc(O)c(cc12)C3C(=O)N(c4ccccc34)CC(=O)OCC	462
+c1cc(ccc1C#Cc2cc3c(cc2)N=C(CC(=O)N3)c4cccc(c4)C#N)OC	129
+c1c2NC(CCc2cc(c1)C=CCCCl)=O	2576
+c1cnccc1-c2c3c(NC4CC4)nc(nc3n(S(=O)(=O)c5ccc(cc5)C)c2)Nc6cc7c(NC(CC7)=O)cc6	55
+c1cc(cc2CCC(Nc12)=O)CCCl	165
+c12ccc(O)nc1ccc(c2)C=CCCCl	10682
+c1cc(CO)cc2CC(Nc12)=O	49
+c1c2NC(Cc2cc(-c3cnco3)c1)=O	2288
+c1c2NC(Cc2cc(C(=O)O)c1)=O	1
+c1cc(cc2CC(Nc12)=O)CCCl	165
+c1c2c(ccc1Oc3nc4c(s3)cccc4)cc(CO)[nH]2	398
+c1ccccc1NC(=O)c2c(Cl)cccc2N	1768
+c12Oc3cc(C(=O)O)ccc3C(=O)c1cccc2	1
+c1nc(ccc1C(Nc2ccccc2N)=O)NCCNC(=O)c3c(c([nH]c3C)C=C4c5c(cccc5NC4=O)C)C	56
+c1c2c(ccc1)C3C(OCC(=O)N3)C2	467
+c1c2c(C(Nc3nc(c(Br)nc3C)C)C(O)C2)ccc1	5040
+c1c(c(OC)cc(c1N)CCNCCCN(C2Cc3c(ccc(c3)OC)CC2)C)OC	15
+c1c2c(CC(N(CCCNC(=O)Cc3c(N)cc(OC)c(OC)c3)C)CC2)cc(c1)OC	0
+c1cc(ccc1OCc2ccc3c(n2)cccc3)Cn4c5c(c(CC(OC)=O)c4)cccc5	962
+c1cc(ccc1CN2C(C3(Cc4c(cc(cc4)[N+](=O)[O-])C3)NC2=O)=O)OC	10683
+c1c2c(CCCN(CCCN)C)c[nH]c2ccc1	51
+c1cc(ccc1)C(=O)NCCCN(CCCc2c3c(cccc3)[nH]c2)C	93
+c1c2c(CCCNCCOc3c(c(N)ccc3)N)c[nH]c2ccc1	0
+c1c2c(CCCO)c[nH]c2ccc1	88
+C1CC(CCN1C)c2c3c(cc4c(N(CC4)C(C)=O)c3)[nH]c2	671
+c1c2c(CCN3CCN(c4sc(C(O)=O)c(n4)C)C3=O)c[nH]c2ccc1	6
+c1c2c(CCN3CCN(c4nc(c(s4)C(=O)NCc5cnccc5)C)C3=O)c[nH]c2ccc1	454
+C1Cc2c(cccc2Br)C(N1C(=O)c3nn4c(ncc(c4)Br)c3)C	147
+C1Cc2ccccc2C(c3ccccc13)=C4CCC(CC4)N	102
+c1c2c(CCc3ccccc3C2CC(CN)O)sc1	18
+c1ccccc1CON2c3c(ccc(-n4cncc4)c3)NC(=O)C2=O	4761
+O=C1c2c(C(=O)N1Cc3ccc4c(c3)N(COC)c5c(nccn5)S4)cccc2	2397
+c1cc(ccc1)N2C(CCc3c2cccc3)=O	2331
+C(C[N+](=O)[O-])c1ccc2c(c1)NC(=O)C(C)O2	364
+c1c2C=C(C(O)=O)CCOc2ccc1	127
+c1(ccc(Br)c(Cc2cc3c(OCCO3)cc2)c1)I	394
+c1cc(ccc1C(Cn2c3c(c4cc(ccc24)C)CN(CC3(CC=C)C)C)=C)F	10684
+c1ccccc1C#Cc2ccc(OCCC)c(C(NC(CO)Cc3c[nH]c4ccccc34)=O)c2	14
+c1cc(ccc1)COC(n2c3c(cccc3)c(CC(O)=O)c2)=O	1825
+c1cc(ccc1Br)-c2cnc(nn2)NNC(Cc3c[nH]c4ccccc34)=O	355
+c1c2c(CCCNC)c[nH]c2ccc1	15
+c1c2c(CCCOC)c[nH]c2ccc1	21
+c1c2c(COC2)c(C(=O)O)nc1	1
+C(OC(CCc1c2ccc(cc2sc1)OCCc3nc(NC)ccc3)=O)C	126
+c1c2nc(cc(Cl)c2ccc1OC)CO	453
+c12c(cccc1)c(nc(OCC)c2)Cl	174
+c1cc(ccc1OC)N2C=Cc3cc(ccc3C2=O)OC	10685
+c12ccc(Br)cc1c3c(ccc(Br)c3)n2CC(O)CCNc4ccccc4	10686
+c1cc(ccc1S(=O)(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)O)F	592
+c1ccccc1COC(NC(C(OCC)=O)CCC(NC(C(O)=O)Cc2c[nH]c3ccccc23)=O)=O	188
+C(CCC1Cc2c(ccc(Br)c2)C1)CCCCC	165
+c1cc2c(cc(Br)cn2)cc1COC	49
+C(CCCCCCCC)Cc1ccc2c(cc(cc2)OC)c1	213
+c1cc2c(cc1O)cc(C#N)cc2	5
+c1cc(ccc1Cn2c(cc3ccccc23)CN(C)C(c4ccc5c(CN(C(C(N5)C)=O)C)c4)=O)O	30
+c12c(CCC1)cc3c(c2)C(=O)OC3=O	3112
+c1c2c(ccc(C)c2)[nH]c1C#N	331
+c1cc2c(cc(C)n2C)cc1CO	98
+c-12c(NCCc3nncn-13)cccc2	15
+c1(ncccc1)C2=C(C(C)N)N=C3N(C(=CC=C3)C)C2=O	1764
+C1(c2ccccc2C(=O)N1C(c3cnc4ccccc4c3-c5ccc(cc5)F)C)=O	699
+c1ccccc1C=2c3c(-n4c(nnc4CN=2)CCN)ccc(F)c3	45
+[N+](c1cc(CN)c(Br)c(C)c1)([O-])=O	45
+CCCN(CCC)CCCCC1C(OC)c2ccc(cc2C1)CN	45
+CCN(C)Cc1cc2c(F)cccc2nc1CN	45
+c1cc(ccc1OC)N(c2nc(CN)nc3ccccc23)C	45
+c1ccccc1C=2c3cc(ccc3-n4c(CN=2)ncc4)Br	4926
+CN(C)S(=O)(=O)c1cc(OC)c(cc1)N	2505
+c1nc(ncc1)Cn2nc(N)cc2Br	1131
+c1cccc2CC(Cc12)(c3c[nH]cn3)CO	44
+c1c2c(C(Nc3nc(c(nc3CC)Br)C)C(O)C2)ccc1	5040
+c1cc(ccc1S(=O)(=O)OCC2COc3ccccc3C2)C	36
+c1c2c(C(C(C2)O)CO)ccc1	95
+c1c2CC3CCC(N)(CC3Cc2ccc1)CN	51
+c1c(cc(c(c1)C2c3c(cccc3)N(CCCCC)C2=O)O)Br	462
+NCCN1C(Nc2ccccc12)=O	18
+c1cc(ccc1-c2cc3c(ncnc3N4CCc5ccccc45)[nH]2)[N+](=O)[O-]	5041
+c1cc(ccc1)S(=O)(=O)N2CCc3ccccc23	416
+[O-][N+](c1cn(nc1)CCCN2c3c(cccc3)CC2)=O	713
+c1cc(ccc1-c2cc3c([nH]2)ncnc3N4CCCc5c4cccc5)[N+](=O)[O-]	5041
+c12c(N3CCCc4ccccc34)ncnc1ccc(I)c2	860
+c1c2c(cc(CCc3cccc(F)c3)cc2)ccc1	1442
+c1c2c(ccc1)cc(C=Cc3cccc(F)c3)cc2	3158
+CSc1cc2ccccc2cc1O	5
+c1cc(ccc1Cl)S(=O)(=O)Nc2c(Cl)nc3c(cccc3)n2	10687
+c1c2c(ccc1)nc(o2)N3CCCCC3C(O)=O	4
+c1cc(ccc1OC)C(c2ccc(cc2)OC)(OCC(CNc3c4ccccc4nc5c3cccc5)O)c6ccccc6	604
+O=C(O)c1c2c(n(c1)-c3c4ccccc4ncc3)cc(cc2)OC	1
+c1cc(ccc1F)C(=O)Nc2c(nc(Nc3c4ccccc4ncc3)s2)C(N)=O	3154
+c1cc2c(cc1CCBr)CCN2C(=O)C	165
+c1cc(ccn1)C(Cn2c3ccc(cc3c4CN(CC=C)CCc24)C)O	2695
+n1c(COC(CCCCC)=O)nc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)cc1	185
+n1c(c2ccncc2nc1Oc3cc4c(cc3)n(cc4)C)O	5042
+c1nc(ccc1C#N)OCCCOc2ccc3n(ccc3c2)C(C)C(=O)OC	20
+c1c2c(ccc1OC(SC)C(=O)O)ncc(c2)Br	4
+S(c1[nH]c2c(ccc(OC)c2)n1)Cc3cccc4CCCN(C)c34	3089
+c1cc(ccc1F)-c2c3c(cc(OC)cc3)cc(n2)Nc4ccn[nH]4	140
+c1c2c(ccc1OC)c(Cl)ncc2	174
+c1cc(ccc1C(OC)=O)-c2cc3c(nc2)cc(cc3)OC	89
+c1c2c(ccc1OC)cc(c(n2)-c3ccsc3)C(=O)O	1
+c1(C(=O)O)cnc2cc(OC)ccc2c1	6
+c1c2c(ccc1OC)nc(Cl)c(C#N)c2	1453
+C(Sc1cnc2ccc(cc2c1)OC)C=O	24
+c1c2c(ccc1O)ncc([N+]([O-])=O)c2	5
+c1c2c(ccc1O)ncs2	5
+c1cc(ccc1N)CCNc2ncnc3c2ccc(OCCCCl)c3	40
+c1c(Oc2nc3c(s2)cccc3)ccc4cc(C=O)[nH]c14	178
+C(Cc1c(C)ccc2c1cccc2)(O)C	100
+c1c2c(cccc2)c(c(C)c1)CC(C)=O	10688
+c1ccccc1Cn2c3cccc(c3cc2CC)OC	190
+c1cc(c(cc1Cn2c(C(=O)OCC)cc3c2cccc3N)Cl)Cl	0
+c1c2c(csc2ccc1)C=Cc3ccc(s3)CO	1364
+c1cc(ccc1Cn2nc(c3ccccc23)CC(=O)OCC)[N+](=O)[O-]	823
+c1cc(ccc1Oc2nc3cnccc3c(n2)O)N(CC4c5ccccc5CCC4)C	5042
+c1cc(ccc1CNc2ncc3c(c2)c(ncn3)Nc4cc(Br)c(Br)cc4)OC	182
+c12c(cccc1)C(=O)N(C2=O)CCCCc3oc4c(ccc(c4)C(=O)OCC)c3	966
+c1ccccc1CCNc2ncnc3sc(cc23)C(OCC)=O	1108
+c1cc(ccc1)Cn2c(c3c(n2)c4c(cc5CCCCc5c4)nc3O)C	4783
+c1(O)cc2c3ccccc3c4c(cccc4)c2cc1	5
+c1cc(ccc1F)-n2ncc3cc(I)c(C)cc23	1708
+c1ccccc1COc2c3c(cccn3)c4C(CCl)CN(C(=O)c5[nH]c6c(c5)cc(OC)cc6)c4c2	2677
+Nc1c(N)nc2ccc(cc2c1)OC	13
+n1ccccc1NCCCOc2cc3cc([nH]c3cc2)CC(C)C(OC)=O	126
+c12c3c(CCn3cc1)ccc2	4762
+c12cc(Oc3ccnc(n3)Cl)ccc1[nH]cc2	185
+c1c2ccc(-c3c(Cl)cc(C#N)cc3)nc2ccc1O	274
+c12c(cccc1)ccc(c2)OCCCCCCCCCl	450
+c1nc(ncc1COc2ccc3c(ccc(O)n3)c2)Nc4ccc(cc4)Cl	2171
+c1c2ccc(nc2ccc1O)C(=O)O	5
+c1nc(cc2c1cccc2)CCN	18
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCCO)c1	44
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCC=O)c1	24
+n1(Cc2noc(-c3sc(Cl)cc3)c2)c4ccccc4cc1C(=O)O	1
+c1c(CO)c2c(CCCN2)cc1	1352
+O(c1cc2cccnc2cc1)c3ncnc(Cl)c3	185
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCN(CC3)CC(COc4cc5cccnc5cc4)O)=O	170
+C(c1c(ccc2ncccc12)O)C=C	4053
+c1cc(ccc1N2CCN(CC2)C)Nc3ncc4cccc(c4n3)Br	744
+c1c2n(CC)cc(c2c(cc1F)O)CC(=O)O	4
+c1ccccc1COc2c3nc(-c4n5ccc(cc5nc4)OCCOC)ccc3ccc2	10689
+c1c2n3c(c4cc(O)ccc4c2ccc1)ncc3	5
+c1ccccc1COc2ccc(cc2F)-n3c4cc(F)cc(c4cn3)Br	1708
+c1c2nc(C(=O)O)cn2c(Cl)cc1	6
+c1cc2nc(oc2cc1CO)C	98
+c1c2ncc(n2ccc1OCCOC)C(=O)O	6
+c1cc(ccc1)Nc2c3c(cccc3)ncc2	179
+c1c(cc2nccc(Cl)c2n1)O	390
+c1cc(ccc1Oc2c3c(ncc2)cc(cn3)OC)N	10690
+c1c2nccc(c2ccc1OCCO)-c3c4n(nc3-c5ncccc5)CCC4	168
+C1Cc2ccc(OC)cc2NC1	1352
+c1c2ncn(-c3cc(c(C(=O)O)s3)OCc4ccccc4C)c2ccc1	1
+c1ccccc1CNC(=O)c2sc(-n3cnc4ccccc34)cc2OCc5ccccc5C	227
+c1c2ncn(c2ccc1)-c3sc(C(CCCC)O)cc3	2389
+c12c(ncnc1cc(OC)c(c2)O)O	5
+C(F)C(CF)(C)c1cc(NC(Nc2cc(Sc3ncnc4cc(OC)c(cc34)OC)ccc2)=O)on1	446
+c1ccccc1-n2c(NC(=O)Nc3cc(Sc4ncnc5cc(OC)c(cc45)OC)ccc3)cc(CC)n2	446
+c1cc(ccc1F)CC(c2cccc(S(=O)(=O)C)c2)C(Nc3nc4c(cccc4)o3)=O	10691
+c1(nccc2OCOc12)CO	813
+c1cc(ccc1)-c2nn3ccc(cc3c2C(C)=O)OC	10692
+c1cc(ccc1F)COc2cc[n+](cc2)[O-]	1210
+c1cc(-c2oc(-n3c(ncc3)C)nc2CCCCO)c4c(cccc4)c1F	44
+O=C(CNC(=O)c1c2c(cc(-c3cc(F)c(cc3)F)c1O)nc(cn2)-c4sccc4)O	3
+C(c1c(c(cc2c1ncc(n2)-c3sccc3)-c4cc(F)c(cc4)F)O)(O)=O	1
+c1(-c2cn3CCCCc3n2)cc(OC)c(-c4ncccc4)cc1	3035
+c1cc(ccc1F)C(O)Cc2cc(ccc2OC)-c3cccs3	3151
+c1cc(-c2oc(-n3c(ncc3)C)nc2CCCCOc4c(C)cccc4)c5c(cccc5)c1F	20
+c1cc(-n2cnc(CO)c2)ncc1Br	1125
+c1(ccc(Br)c(Cl)n1)C(=O)OC	174
+c1ccccc1Oc2c([N+](=O)[O-])c(OC)ccc2Br	46
+C(O)c1c(ccc(CBr)c1)Br	49
+c1cc(ccc1)CN2CCC(C2)Oc3c(Br)ccc(F)c3	20
+c1cc(ccc1Oc2c(ccc(F)c2)Br)C=O	46
+c1cc(Br)c(CO)cc1I	49
+c1cc(Br)nc(C(=O)O)c1OC	1
+c1cc(Br)nc(c1OCCCBr)N	161
+Nc1c(nc(cc1)Br)Nc2ccnc(Cl)c2	13
+c1cc(ccc1OCCN(CC)CC)C#Cc2ccc(Br)cn2	943
+c1cc(ccc1CO)CCC#Cc2ncc(Br)cc2	769
+c1cc(ccc1Nc2ccc(cn2)Br)Cl	1759
+c1cc(ccc1OCCN2CCCC2)C#Cc3ccc(Br)cn3	943
+c1ccccc1COc2ccc(-c3ncc(cc3)Br)cc2F	119
+c1c(Cn2ccnc2)cnc(c1)Br	10693
+c1c(c(C#N)cc(CO)c1)C#N	10694
+c1(C)c(ccc(C#N)c1)O	173
+c1c(OCCO)c(N)cc(C#N)c1	0
+c1cc(c2NC(=O)Sc2c1C(=O)C)O	5
+CCCCCCCCCCCCc1sccc1	2501
+c1cc(ccc1NC(=O)c2cc3c(cc2)cccc3)Cn4c5c(c(n4)CC(=O)OC)cccn5	50
+C(CNC(c1ccc2ccccc2c1)=O)CCN3CCN(c4c5c(cc(F)cc5)sc4)CCC3	93
+c1cc(cc(c1)-c2nnc(o2)-c3cc(OC)ccc3)I	1782
+c1cc(CO)cc([N+]([O-])=O)c1OCC	49
+C1CCCCN1S(=O)(=O)c2ccc(cc2)CNC(=O)c3ccn4nccc4c3	14
+c1cc(ccc1C(=O)Cn2c(ccc2C(=O)OC)Br)OC	10695
+c1cc(c(cc1I)OC)C(=O)O	1
+c1cc(C(=O)O)cc2OC(=S)Nc12	1
+OCc1ccc(cn1)C(=O)OC	398
+c1cc(C(=O)c2c(C)n(c3ccccc23)CCNc4ccc(c(O)c4)C(OC)=O)c5c(cccc5)c1	5
+c1cc(c2c(c(C)co2)c1OC)C(=O)c3sccc3	10696
+c1cc(C(=O)c2sccc2)c3oc(C(=O)O)c(c3c1OC)C	6
+OC(C#CC(c1ccc2c(OCO2)c1)=O)=O	10697
+c1c(cc2OCC(c2c1)=O)F	702
+c1ccccc1-c2ccc(cc2)NC(c3ccc(OC)c([N+]([O-])=O)c3)=O	50
+c1c(OCCOC)c(N)cc(C(Nc2c(C(=O)N)nc(s2)Nc3cc(F)ncc3)=O)c1	0
+c1ccccc1COC(Nc2c(cccc2)CCc3c(C(O)=O)cccc3)=O	90
+s1c(Nc2c(C)cccc2)nc(C=O)c1	1348
+c1cc(C)c(cc1)C(c2ccccc2C)N3C=CC=C(C(=O)O)C3=O	127
+c1cc(ccc1NC(Nc2c(C)cccc2)=S)-c3ccc4C(=O)N(Cc4c3)C(C(OC)=O)C(C)C	10698
+c1(oc2c(c1)cc(C)cc2)C(=O)OCC	5043
+c1(ccc(C)n1-c2nc(c(OCc3ccccc3)c(C)c2)C)C	483
+c1ccccc1CCc2nc(cc(C)c2)-n3c(ccc3C)C	10699
+Cc1cc(nc(c1)CCc2cc(C#N)cc(c2)NCCc3ncccc3)N	899
+c1c(F)c(c(cc1-n2c(ccc2C)C)F)C3=CCSCC3	252
+c1cc(ccc1F)COc2ccc(c(c2)F)-n3c(ccc3C)C	669
+c1ccccc1COc2cc(OC)c(cc2CC)-c3cccc(-n4c(ccc4C)C)n3	119
+c1cc(ccc1OC(=O)OCc2cnc(C)cc2)[N+]([O-])=O	10700
+c1cc(C)ncc1CO	88
+c1cc(cc(N)c1OC)C=CCO	2219
+c1cc(CC[N+](=O)[O-])cc(C)c1OC	364
+[O-][N+](CCc1cc(c(OCc2cccc3ccccc23)cc1)OC)=O	364
+c1cc(ccn1)-c2cn3c(c(N4CCOCC4)cc(NN=Cc5cccc(C(C)CCCC)c5)n3)n2	878
+c1cc(ccc1-c2c(ccc(CC)c2)OC)OC	2256
+c1(ccccc1Oc2cc(ccc2OC)CC)C	304
+Nc1c(cc(CC)cc1)C(=O)O	5044
+c1cc(cc(Br)c1OC)CCN2C=CC=CC2=O	10701
+c1ccccc1C(c2ccccc2)(C3CN(CC3)CCc4cc5c(cc4)CCC5)C(=O)N	28
+CCn1c(cc(C)n1)CCCNC(=O)CCc2ccc(C)c(C)c2	9
+c12cc(OC)c(cc1CCC2=O)CCCCCC	214
+c1c(cc(Oc2ccc(CCC(OCC)=O)c(C)c2)c(C)c1)O	5
+N1c2cc(ccc2CCN(C)CC1=O)F	1089
+c1cc(cc(C)c1OC)CCN	157
+c1cc(ccc1)SCCCOc2c(c(Cl)c(O)nn2)NCc3cccnc3	4341
+c1cc(ccc1C(CCC(NCc2cccnc2)=O)=O)Oc3ccc(c(c3)CC)OC	9
+c1ccccc1CCCc2cn(nn2)-c3sc(C(NCc4cnccc4)=O)c(C)n3	454
+c1cc(CN2C(C=3C(=C(N(CCCCNC)C(C=3O)=O)C(O)=O)CC2)=O)cc(Cl)c1F	127
+c1cc(CN2C(=O)C=3C(=C4C(=O)N(C)CCCCN4C(=O)C=3O)CC2)cc(Cl)c1F	10702
+c1cc(CNc2nc(SC)ncc2CO)cc(Cl)c1OC	897
+n1cccnc1CNC(=O)c2c(NCc3ccc(c(c3)Cl)OC)nc(nc2)SC	484
+c1cc(CNc2nc(SC)ncc2C=O)cc(Cl)c1OC	1195
+c1ccccc1CSc2nc(c(C(=O)OC)c(n2)NCc3ccc(c(c3)Cl)OC)Cl	1721
+c1cc(CO)cc(c1)CC(O)=O	3
+c1(C=O)ccc(OC)c(CCCCCC)c1	39
+c1c2NC(Cc2cc(C=O)c1)=O	39
+c1(cc(Br)c(Cl)cc1)C=O	39
+c1cc(ccc1OC)C(=O)c2cc(I)ccc2Cl	222
+Nc1c(Cl)ccc(CO)c1	0
+c1cc(Cl)c(N)cc1I	0
+c1cc(Cl)c(c(Cl)c1OC(C)C(=O)O)C	3
+c1cc(Cl)c(N)c(c1OC)Cl	0
+c1cccc2c1n3c(-c4cc(ccc4Cl)Cl)nc(C)c3c(n2)C	10703
+C(OC(C1c2c(n(CCF)c3cccc(OC)c23)CCC1)=O)C	2207
+c1cc(Cl)nc2c1NCC2	15
+c1(cc2C(CCCc2cc1Br)=O)F	214
+c1cc(ccc1N2C=CC=C(F)C2=O)-n3cc(nc3)CNC(c4sc(cc4)Cl)=O	10704
+c1cc(F)c(c(F)c1OCc2nc3cc(ccc3s2)CCC)C(=O)N	732
+O=Cc1c(OC)c(ccc1F)O	5
+c1c(C(=O)O)ccc(F)c1OCC	6
+c1cc(ccc1)CNc2c(ccc(c2)C3C(C(OCC)=O)C3)F	250
+c1cc(F)cc(N2C(SCC(=O)OCC)=Nc3scc(c3C2=O)-c4ccccc4O)c1	5
+O=C1C=CC=CN1c2ccc(I)c(F)c2	3044
+c1ccccc1-c2sc(CCCOC)c(n2)C(=O)Nc3ccccc3-c4nc5c(nccc5)s4	10705
+c1cc(ccc1C)-c2ccccc2N	134
+[nH]1c(-c2nccnc2N)nc3c1cccc3	10706
+c1cc(ccc1-c2n(c3c(n2)cccc3)C)NC	3226
+CCN1C(Nc2ccccc12)=O	1019
+CN(C)C(Cc1c(N)cccc1)c2c(ccs2)C	695
+c1cc(ccc1)C=CC(Nc2ccccc2F)=O	324
+c1ccccc1NC(=O)Nc2ccc(cc2)Oc3ncnc(Nc4c(cccc4)F)c3	73
+c1ccccc1Oc2ccccc2Cn3nc(C(Nc4c(F)cccc4)=O)cc3	772
+c12-c3c(cncn3)CCCc1[nH]cc2C(Nc4c(cccc4)F)=O	10707
+c1cc2c(Nc3cc(n(c3C(N2)=O)C)C)cc1	10708
+c1cc(N2C(CCC2)c3cc(cc(F)c3)OCCOC)nc4c(cnn14)C(=O)O	6
+c1cc(N2C(CCC2)c3cc(ccc3F)F)nc4c(cnn14)C(=O)O	6
+c1cc(N2C(CCC2)c3nc(O)ccc3)nc4c(cnn14)C(=O)OCC	104
+c1cc2N3C(CCC3)c4nc(OCCCNC(c5cnn1c5n2)=O)ccc4	1339
+c1cc(N2C(CCC2)c3nc(ccc3)OCCCN)nc4c(cnn14)C(=O)O	6
+c1cc(N2C(Nc3c(OC)c(c(c(F)c23)F)N)=O)c(F)cc1I	0
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(cnn14)C(=O)O	6
+c1cc(N2C(c3cc(F)cnc3)CCC2CO)nc4c(cnn14)C(=O)O	6
+N(C)C(COC(=O)N1CCCN(c2ccc(Br)cn2)CC1)=O	1011
+c1cc(ncc1Br)N2CCOC2=O	10709
+c1c(OC)c(Br)cc(N)c1	106
+c1cccc2C(=O)N(C(=O)c12)CCN(CCOc3c(F)nccc3)CC	1286
+c1cc(ccc1OC)CN(S(=O)(=O)c2cccc(Oc3cc(-c4ncnc5c(cccc45)Cl)c(cc3)Cl)c2)C	304
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4ccccc34)(c5cc(c(F)cc5O)F)O)=O	1115
+c1cc(ccc1Cl)-c2cnc(Oc3cnccc3)nc2-c4c(cc(Cl)cc4)Cl	3863
+c1cc(ccc1)Sc2cnc(cc2)O	10710
+c1cc(ccc1Cl)CN2C(=O)C=CC(Br)=C2	4659
+c1c(c(C)cc(c1)O)OCC(OCC)=O	173
+c1c(c([N+]([O-])=O)cc(c1)O)OC	173
+c1cc(cc(N)c1OC)OC(OCC)=O	0
+c1cc(ccc1C(c2ccc(OC)c(c2)F)=O)Br	1217
+c1ccccc1CNC(=O)c2cc(Br)ccc2OC	14
+c1ccccc1COc2c(ccc(Br)c2)OC	22
+c12c(CCC1)c(ccc2OC)OC	165
+c1ccccc1Oc2ccc(F)cc2NCc3c(OCCOC4OCCCC4)ccc(c3)OC	208
+c1ccccc1COCCCN2C(Nc3c(cc(OC)cc3)C2=O)=O	10711
+c1c(cc2c(oc(c2N)C(=O)N)c1)Br	10712
+C1(Nc2c(OC1)ccc(OCCBr)c2)=O	2729
+c1c(c(c(cc1)N)C#N)OCCCCCCCCOC(=O)C	0
+c1cc(OC=C)c(Cl)cc1Br	5034
+C(COc1c(OCCOC)cc(CO)cc1)OC	98
+S(c1cnc(Cl)cc1)c2c(F)cccc2	10713
+n1cc(N)c(cc1)CCOc2ccc(c3ccccc23)N	0
+N(c1cc(CCOc2ccc(c3ccccc23)N)ccn1)C(C)=O	0
+O=[N+](c1ccc(Cl)nc1Nc2c(Cl)cc(OC)c(OCc3c(F)c(ccc3OC)F)c2)[O-]	201
+c1cc(ccc1)C(CC(OCC)=O)Nc2nc(Cl)ccc2[N+](=O)[O-]	70
+Nc1ccc(Cl)nc1N	13
+C(c1ccc([N+]([O-])=O)c(c1)F)C(=O)O	4
+n1c(Cl)c2c(nc1Nc3cc(ccc3[N+]([O-])=O)F)N(C4CCOc5c(F)cccc45)C(=O)N2	490
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c(n(C4CCCCO4)nc3)cc2C(=O)O	6
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(=O)O)s3	1
+c1c(Oc2c3c(ncc2)cc(S(=O)C)s3)c(F)cc(N)c1	0
+c1cc(ccc1-c2sc3c(nccc3Oc4ccc([N+]([O-])=O)cc4F)c2)CO	4982
+c1c(Oc2cc3c[nH]nc3cc2)c(F)cc(N)c1	0
+c1c(Oc2cnc(O)cc2)c(F)cc(N)c1	0
+c1cc([N+]([O-])=O)cc(F)c1Oc2cnc(O)cc2	104
+c12cc(-c3cc(ccc3)[N+]([O-])=O)ccc1c(cn2-c4ncnc(c4)Cl)Br	2186
+c1c2c(ccc1-c3cc(N)ccc3)ccn2-c4ccnc(n4)N	0
+c1c(NC=2C=3C(=O)N(CC=C)N=C(c4cc(N)ccc4)C=3N(C(=O)C=2Cl)C)c(F)cc(I)c1	0
+c1ccccc1N2N=C3C(CCc4ccc(cc34)[N+]([O-])=O)CC2=O	10714
+c1c2c(OCCN2)cc([N+]([O-])=O)c1	15
+c1cc(ccc1)COC(=O)N(CCCN2C(=O)COc3cc([N+]([O-])=O)ccc23)c4cccc[n+]4[O-]	10715
+C1CC(n2nc(c3cc(N)ccc23)-c4[nH]c5c(cccc5)n4)OCC1	0
+c1cc(ccc1)COC(Nc2ccc(cc2)Oc3cnc(cc3)[N+]([O-])=O)=O	706
+c1ccccc1CNc2ccccc2-c3[nH]c(c(c3)C(N)=O)C	208
+c1cc(c(-c2coc(n2)CCCC(=O)O)cc1)N	4
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccccc3-c4sc(CC(OC)=O)cc4)=O)c2	50
+c1ccccc1CC(NC(=O)c2cccnc2-n3cc4ccccc4n3)C(O)C(=O)OCC	56
+c1cc(c(-n2cc3c(cccc3)n2)nc1)C(=O)O	6
+c1cc(c(cc1Br)COC)OCc2cccs2	49
+C=1c2c(c(C(=O)OC)cc(I)c2)OC(C=1)C	1318
+c1ccccc1C#Cc2cc(C(=O)OC)c(OCCC)cc2	129
+c1cc(ccc1F)C(O)c2c(C)cc(cc2)F	257
+c1cc(ccc1)Oc2cc(C)c(cc2)[N+](=O)[O-]	46
+c1cc(ccc1C)S(=O)(=O)Nc2c(C(OC)=O)cc(cc2)Oc3cc(C)c([N+](=O)[O-])cc3	46
+c1cc(ccc1C=O)Oc2cc(c([N+](=O)[O-])cc2)C	46
+n1(-c2ccc(c(C)c2)[N+]([O-])=O)ccnc1	431
+c1cc(c(C)nc1C)OCCOc2cc3CCC(CC(=O)O)c3cc2	3
+c1cc(c(cc1Br)CN(c2ncc(cc2)C(=O)OC)CC)OCc3cccs3	5045
+Nc1c(C(=O)O)c(c(cc1)[N+]([O-])=O)CC	5044
+c1cc(ccc1OCc2cc(Cl)c(cc2)Cl)C=O	139
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(N(S(=O)(=O)C)c4ccc([N+]([O-])=O)c(Cl)c4)cc3o2)C5CC5	3058
+c1cc(ccc1-c2ccc(c(Cl)n2)C#N)N	140
+c1c(Cl)nc(Cl)c(C(C)O)c1	652
+c1ccccc1Nc2c(ccc(Cl)n2)C(O)=O	201
+c1cc(c(F)c(Nc2c(F)cc(cc2)CCCO)c1C(=O)NOCCO)F	213
+c1cc(c(F)c(Nc2c(F)cc(C#CCO)cc2)c1C(=O)NOCCO)F	10716
+c1cc(c(F)c(Nc2ccccc2F)c1C(=O)NOCC(CO)O)F	1762
+O=C(c1ccc(cc1C)-c2ccc(c(F)c2)Nc3nc4c(cc(F)cc4)s3)O	1
+c1c(OCCCl)c(I)cc(c1)CCCO	267
+c1(c(N)c(Br)ccc1OC)N	0
+N1c2cccnc2NCC1=O	1530
+c1cc(ccc1Cl)NC(=O)c2c(SCc3c4c(cccc4)ncc3)nccc2	246
+c1ccccc1C(C)(C)c2cc(C(C)(C)c3ccccc3)c(O)c(c2)N=Nc4c([N+]([O-])=O)cccc4	10717
+c1(c2ncccc2ccc1C(=O)c3c(C)cc(F)cc3)[N+](=O)[O-]	335
+Nc1cc(ccc1O)CC(OC)=O	0
+Nc1cc(ccc1O)CCC	0
+n1cnc(Nc2c(Cl)cc(OC)c(OCc3c(F)c(ccc3OC)F)c2)c(c1Cl)[N+](=O)[O-]	73
+c1cc(c(c(F)c1OCC(OCC)=O)NCc2c(c(cc(-c3cc(F)ccc3)c2)C)O)F	5
+c1cc(c(c(F)c1OCC(=O)O)NCc2c(c(cc(-c3cc(F)ccc3)c2)C)C)F	3
+c1cc(c(c(F)c1OCC(=O)O)NCc2c(c(cc(-c3cc(F)ccc3)c2)C)O)F	3
+c1cc(c(c(F)c1OCC(=O)O)NCc2cc(OC)cc(-c3cc(F)ccc3)c2)F	3
+c1cc(C2=CC=C([Se]2)CCC)c(c(F)c1OCC)F	5046
+c1cc(ccc1)COC(N(C)CCCC(=O)Nc2c(N)c(ccc2OC)OC)=O	33
+c1cc(c(c(N)c1OC)N)OC	0
+c1ccccc1COc2c(ccc(C=O)c2Cl)OC	139
+c1cc2cc[nH]c2c(C)c1[N+]([O-])=O	1452
+c1cc(ccc1F)C(C(=O)NN=C2C(Nc3ccc(c(Cl)c23)C(O)=O)=O)C	4857
+c1c2c(c(N)c(Nc3cccc(C#N)c3)c1)cccc2	0
+c1c2c(NC(OCC2)=O)ccc1	10718
+c1cc(c(N2C=CC(Cl)=C(C#N)C2=O)cc1)C	10719
+c1cc(ccc1C(O)c2cc(ccc2OC)Br)Br	257
+c1ccccc1CC(NCc2cc(ccc2Oc3cccc(c3)CC(OC)=O)Br)C	42
+c1ccccc1CNCc2cc(ccc2Oc3cccc(c3)CC(OC)=O)Br	42
+c1cc(c(cc1Br)CN(c2ncc(C(=O)O)cc2)CC)OCc3cccs3	1
+c1cc(c(CO)cc1Br)OCc2cccs2	88
+c1cc(c(cc1C(CCC(=O)N)=NOC)Cl)Cl	5047
+OCC(CCOC1OCCCC1)c2ccc(c(c2)Cl)Cl	237
+c1cc(c(cc1C(CCC#N)=NOC)Cl)Cl	143
+c1cc(c(cc1CN2C(CCNc3nc4c(c(O)c3)cccc4)CCCC2)Cl)Cl	460
+c1cc(c(cc1CN2C(c3cc(N)ccc3N=C2)=O)Cl)Cl	0
+c1cc(c(cc1CN2CCOC(C2)CNC(=O)CSc3scc(n3)CO)Cl)Cl	1171
+n1c(SCC(=O)NCC2CN(CCO2)Cc3ccc(c(c3)Cl)Cl)scc1C=O	1348
+c1cc(c(cc1Cn2c3c(c(c(cc3)OC)O)cc2C(OC)=O)Cl)Cl	173
+c1cc(F)cc(c1C(c2ccc(F)cc2C)=C(C=CC=O)c3n(C)nnn3)C	5019
+C1C(Nc2cc(ccc12)F)=O	1089
+c1cc(c(CO)cc1I)OC	41
+c1ccccc1OCc2cc(ccc2Br)I	139
+C1N(C(=O)c2c(cc(I)cc2)OC)c3c(Cn4c1ccc4)cccc3	610
+Nc1cccnc1NC	13
+c1ccccc1COc2c3NC(=O)Sc3c(cc2)C(C)=O	22
+c12occ(C)c1c(ccc2C(=O)c3sccc3)O	5
+C1C(C)=Cc2cccc(-c3ncccc3)c12	4262
+c1cc(c2c3c(n(c2c1)Cc4c5ccccc5ccc4)cccc3OCC(O)=O)C(=O)N	4
+COc1cccc2nccc(c12)O	3005
+c1cc(ccc1)CNC(=O)N(CC)Cc2cc(-c3cnn(c3)C)ccc2-c4c(OC)ccc(c4)CC(OCC)=O	384
+c1cc(ccc1)COC(N(Cc2c(ccc(c2)[N+]([O-])=O)-c3c(OC)ccc(CC(OCC)=O)c3)CC)=O	66
+c1cc(ccc1)COC(=O)N(CC)Cc2cc(F)ccc2-c3c(OC)ccc(CC(OCC)=O)c3	66
+c1(O)cccc(-n2ncc3c2cccc3)c1	5
+c1cc(CN)cc(Br)c1OC	107
+c1cc(CO)cc(Br)c1OC	49
+c1cc(ccc1CN2C(=O)N(CC(c3ccc(OC)c(c3)Br)=O)C(c4c2sc(c4)CC)=O)-c5c(C#N)cccc5	1833
+c1c(OC)c(Br)cc(c1)O	173
+c1cc(cc(c1OCC#C)C(=O)O)C(=O)C	1
+c1cc(cc(C)c1Oc2cnc(C)cc2)Nc3ncnc4c3C=C(C(=O)O)CCN4	127
+c1cc(CO)cc(CCCCCC)c1OC	98
+Nc1cccnc1Nc2cc(F)c(cc2)C#N	13
+c1cc(-c2cc3nc(cnc3c(C(=O)OC)c2O)-c4sccc4)cc(F)c1F	5
+c1cc(cc(F)c1Oc2cc3c[nH]nc3cc2)Nc4nc(ncc4)N	511
+c12cc(ccc1NC(=O)N2)C	2280
+c1cc(cc(N)c1OC)CCCO	374
+c1cc(ccc1)N2C(C(Nc3ncnc(N)c3C(Nc4cc(ccc4OC)C(N)=O)=O)C)=Nn5ccc(c5C2=O)C	40
+Cc1cc(n[nH]1)Nc2c3ccccc3nc(n2)C(=O)c4cc(c(F)cc4)O	5
+c1cc(cc(OCCCOC)c1OC)C(=O)O	1
+c12ccccc1CC(c3ccc(cc3O2)F)=O	214
+c1c(N)c(ccc1C2=CC(=O)c3ccc(c(c3O2)OC)OC)N	0
+c1cc(c([N+]([O-])=O)cc1CC(OC)=O)O	5
+c1cc(F)cc(N)c1OC	0
+c1(SC)ccc(cc1N)C(Nc2cnc(cc2)-c3ccccc3F)=O	0
+c1cc(cc(c1)-c2ccc(F)c(c2)CNc3c(C#N)c(O)ccc3F)F	5
+C(Oc1ccc(c(c1C)NCc2c(F)ccc(c2)-c3cc(ccc3)F)F)C(=O)O	3
+c1cc(cc(c1)F)-n2c(C(O)=O)c(c3ccccc23)C#N	1
+c1cc(cc(c1)F)-n2c(C(N)C)cc3ccccc23	18
+c1cc(ccc1)COc2c(cc(cc2)C=CC(c3c(O)cc(cc3)OCOC)=O)OCOC	307
+C1CCC(C1)c2c(OC)ccc(F)c2	191
+c1cc(ccc1)C#CC(c2cc(F)ccc2OC)O	1471
+c1cc(O)c(cc1C2C(CC(OC)=O)C2)F	5
+c1cc(ccc1CC2(CCN(CC2)CC(Cc3cc(c(OC)cc3)F)O)O)C	170
+c1cc(ccc1NC(=O)C)SCCCOc2cc(ccc2OC)Cc3cnc(nc3N)N	72
+c1cc(ccc1CNC(CCc2ccc(OCC#C)c(OC)c2)=O)C(OC)=O	68
+c1cc(cc(c1OCC#C)OC)CCC(=O)O	3
+c1(c(N)ccc(Oc2ccc(cc2C#N)F)c1)C	0
+c1cc(cc2C(Oc3cc(OCC(OC)=O)ccc3)CCc12)-c4cc(ccc4)F	20
+c1cc(cc2C(Oc3cc(OCC(=O)O)ccc3)CCc12)-c4cc(ccc4)F	4
+C(c1ccc2c(ccc(F)c2)c1)O	611
+C(c1ccc2cc(OC)ccc2c1)O	49
+c1cc(C(=O)O)cc2ccnn12	1
+c1ccccc1-c2c[nH]c(n2)C(N)C	102
+C1CC(CCC1C(O)=O)c2ncc(-c3ccccc3)[nH]2	4
+c1cc(ccc1)-c2c(C(O)=O)cc[nH]2	6
+c1cc(ccc1)-c2c3cc(c(C)cc3[nH]n2)N	0
+c1cc(ccc1)-c2c(cccc2)-c3c(c(CC=C)cc(F)c3)O	423
+c1cc(ccc1F)-c2c(c(C(=O)NCc3ccc(cc3)F)n(c2C=O)C(C)C)-c4ccccc4	81
+c1cc(ccc1)-c2c(-c3ccccc3)nc(N(C(C)C)CCCCOCC(=O)NS(=O)(=O)c4ccc(cc4)C)cn2	344
+c1cc(ccc1)-c2c(C(=O)Nc3ccc(cc3)S(=O)(=O)N4c5ccccc5SC(C=C4)CCO)cccc2	50
+c1cc(ccc1)-c2c3cc(ccc3nc(c2C(=O)O)CC(C)C)Br	1
+c1cc(ccc1)-c2c(nc3c(cc(F)cc3)c2C(=O)O)C(C)Nc4c(c(N)ncn4)C#N	1
+c1cc(ccc1)-c2cc3CCCCn3c2C(=O)C(Nc4ccc(cc4)N5CCN(CC5)CC(=C)C)=O	2678
+C1Oc2ccc3-c4ccccc4C(=O)c3c2C1	358
+c1ccccc1-c2c(ccc(S(=O)(=O)C)c2)C(OC)=O	992
+c1ccccc1-c2c(C(OC)=O)c3cc(F)ccc3nc2C(N)C	18
+c1cc(ccc1)-c2nc3c(c(c2C)C(=O)NNc4ccccc4)cccc3	898
+c1cc(ccc1C=O)Oc2c(-c3ccccc3)c(C)cc4cc(ccc24)OC	46
+c1cc(ccc1)-c2c(C)n(-c3ccc(cc3)CCNC(Oc4ccccc4)=O)nc2C	101
+c1cc(ccc1)-c2c(C)nn(-c3ccc(cc3)CCN)c2C	18
+c1ccccc1C(Nc2cnc(c(C3=NN(C(C)C)C(=O)C=C3)c2)-c4ccccc4)=O	660
+c1ccc(Cl)c2c1-c3ccccc3C(=O)CCC2	94
+c1ccccc1-c2nc3c(c(C(O)=O)c2CN=[N+]=[N-])cccc3	1
+c1cc(ccc1)-c2c(COc3ccc(cn3)C(=O)O)c(on2)C	1
+c1cc(ccc1)COC(=O)c2nc(Cc3c([nH]c4cc(ccc34)OC)-c5ccccc5)ccc2	470
+c1cc(ccc1)-c2c(cc(cc2)N)Cl	0
+c1cc(ccc1)-c2ccc(cc2F)-c3noc(-c4ccc(cc4)CO)n3	910
+c1ccccc1-c2c(F)cc(O)c(c2)C(=O)NCc3cc(ccc3)[N+](=O)[O-]	5
+c1cc(ccc1)-c2c(N)nc3ccc(C(O)=O)cn23	1
+c1cc(ccc1)-c2c(N)nc3ccc(cn23)C(c4ccc(cc4)F)=O	3060
+c1ccccc1-c2c3n(c(nc3ccc2)-c4ccccc4)-c5ccccc5C(C)C	10720
+c1cc(ccc1)-c2nc3c(nc2)cc(c(O)c3C(O)=O)-c4ccccc4	1
+c1(cc2c(cc1)c3c([nH]2)cccc3)C#N	1223
+c1ccccc1-c2c(c3c(c(c2C)C#N)nc(o3)CN(C(=O)OCc4ccccc4)C)F	1824
+c1ccccc1C(CC)NC(c2c(c(-c3ccccc3)nc4ccccc24)CN)=O	18
+c1cc(ccc1)-c2c(c(C#N)c(N)c(O)c2F)C	5
+C1CC(CCC1)Nc2cccc(-c3ccccc3)c2CN	107
+c1cc(ccc1)-c2ccnc(c2N)N	13
+c1ccccc1-c2c(c(on2)C)-c3nc(CO)n(-c4ccc(cc4)[N+]([O-])=O)c3	118
+c1cc(ccc1)-c2c(c(on2)C)COc3ccc(C(O)=O)nn3	6
+c1ccccc1-c2ccc(I)cc2O	5
+c1cc(ccc1)-c2c(N)cc(OC)cc2	0
+c1cc(ccc1)-c2c(cc(O)cc2)[N+](=O)[O-]	5
+c1cc(ccc1)-c2ccc(cc2Cl)N=C=S	1034
+O=S(=O)(c1c(c([N+]([O-])=O)cc(C(O)=O)c1)-c2ccccc2)N	10721
+c1cc(ccc1)C(N2CCN(CC2)c3c(-c4ccccc4)nnc(O)c3)=O	115
+c1ccccc1-c2c(-c3cc(F)cc(c3O)C=CC)cccc2	4606
+c1cc(ccc1)-c2c(cccc2)Cn3c4nc(SC)nc(OCC(=O)O)c4c(c3CC)C(=O)C(N)=O	4
+c1cc(ccc1)-c2nc3c(c(O)ccc3nc2NCc4ccccc4)C(=O)NCC(O)=O	3
+c1cc(ccc1)-c2c(ncc(N(CCc3cc(O)ccc3)C)n2)-c4ccccc4	16
+C1CCCCC1c2ccc3nc(C)c(n3c2)-c4sc(c(-c5ccccc5)n4)C(=O)OCC	671
+c12c(cccc1)C(=O)N(C2=O)Cc3c(C(=O)OCC)c(-c4ccccc4)c5cc(Cl)ccc5n3	10722
+c1ccccc1-c2nn(C)c3C4(c5ccccc5)C=C(C#N)C(C(C4CCc23)C)=O	10723
+c1cc(ccc1)-c2c3c(ncnc3oc2-c4ccccc4)NCCc5ccc(cc5)NC(Nc6ccccc6)=O	124
+c1ccccc1-c2c(CO)c(CC(C)C)nc3c2cc(cc3)Br	382
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(=O)Nc5cc(ccc5C)N)n2	0
+c1cc(ccc1)-c2cc(N(c3ccnc(SC)n3)C)cc4c2[nH]cn4	10724
+c1ccccc1-c2c(cc(c(C(=O)O)c2)OC)F	1
+c1ccccc1-c2cc(NC(=O)c3ccc(cc3)OCc4ncccc4)c(C)cc2	50
+c1ccccc1C(Nc2cc(-c3ccccc3)ccc2C(=O)O)=O	1
+c1cc(ccc1O)CC2=Nc3c(N(c4cccc(c4)-c5ccccc5)C2=O)nccc3	5048
+c1cc(ccc1)-c2cc(S(=O)(=O)Nc3ncc(Cl)cc3O)cnc2	390
+c1ccccc1-c2cc(N)cc3cn(nc23)C	0
+c1cc(ccc1)-c2cc(cc(N)c2)C(OC)=O	0
+c1cc(ccc1)-c2ccc(C(=O)OC)c(N)c2	0
+c1cc(ccc1)-c2cc(C#Cc3ccccc3)c(OC)cc2	129
+c1ccccc1-c2cc(CO)c[nH]2	351
+O=S(=O)(n1cc(C(=O)OCC)cc1-c2ccccc2)c3ccc(cc3)OC	917
+c1ccccc1-c2c3ccc(O)cc3cc(C(=O)O)c2	1
+c1cc(ccc1)SCc2cc3cc(ccc3c(-c4ccccc4)c2)O	2722
+c1cc(ccc1)-c2cc(-c3ccc(cc3)OCC(=O)O)nc4ccccc24	4
+c1cc(ccc1)-c2cc3c(cc2)CC(C(c4ncco4)O)CC3	10725
+O=S(=O)(n1cc(Br)c2c1ncc(-c3ccccc3)c2)c4ccc(cc4)C	276
+c1cc(ccc1)-c2oc3c(cccc3)c2C(c4ccc(cc4)OC)=O	3102
+c1cc(ccc1)-c2cc3ncnc(Nc4cc5c(c[nH]c5cc4)C)c3s2	4374
+c1cc(ccc1)-c2ccc(-c3c4nc(C5CCC(CC5)CC=6OC(=O)NN=6)cc(N)n4nc3)cn2	10726
+c1cc(ccc1)-c2ccc(cc2CO)Br	611
+c1cc(ccc1)-c2cc(NC(c3ccccc3)=O)c(cc2)C(=O)OC	50
+c1cc(ccc1)-c2ccc(c(Oc3ccc(cc3)C#N)c2)[N+]([O-])=O	46
+c1cc(ccc1OC)Oc2c([N+](=O)[O-])ccc(-c3ccccc3)c2	46
+c1cc(ccc1)-c2ccc(c(c2)Oc3ccc(cc3)C#N)N	0
+c1cc(ccc1)-c2c(C=O)cc(cc2)Br	39
+c1cc(ccc1-c2nc(-c3ccc(-c4ccccc4)c(Cl)c3)on2)CO	2185
+c1cc(ccc1)-c2ccc(cn2)-c3nc(CCOc4cc(C)c(CCC(O)=O)cc4)c(o3)C	4
+c1ccccc1-c2ccc(cn2)N	13
+c1c2c3c(cccc3)c4c(c2ccc1OC)cccc4	5049
+C1CN(CCN1c2ccccc2)Cc3ccccc3-c4ccccc4	48
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)CCCO)cnc23	213
+c1ccccc1CNCc2ccc(cc2)-c3cnc4n(ncc4-c5ccccc5)c3	42
+c1cc(ccc1)-c2cnn3cc(cnc23)-c4ccc(cc4)CCC=O	24
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)C=O)cnc23	537
+C1C(CC1)(CO)Cc2nc(-c3ccccc3)cs2	118
+c1ccccc1-c2c3c(cc(OC)cc3)sc2C(c4ccccc4)=O	10727
+c1cc(ccc1)-c2n(cnc2C(=O)OCC)C3CCCCC3N	18
+c1cc(ccc1)-c2c(ncn2C3C(CCCC3)NC(OCc4ccccc4)=O)C(=O)OCC	101
+CC(C)N(Cc1ccccc1)C(=O)CN2C(=O)Cc3n(-c4cc(F)c(cc24)F)c(-c5ccccc5)nn3	4342
+c1cc(ccc1)-c2nc(C(O)=O)c3CN(CCCn23)C	6
+c1ccccc1-c2c(c(c3n2ccc(Br)c3)C(=O)O)Cc4cccc(c4C)F	1
+c1cc(ccc1)-c2nc(c(C(CCC)C(=O)O)c(C)n2)-c3ccc4N(CCc4c3)C	4
+c1cc(ccc1)-c2nc(N3CCCCCC3)c(C(CCC)C(O)=O)c(n2)C	4
+c1cc(ccc1-n2cc(nc2CC)-c3ccccc3)CCN	18
+c1cc(ccc1)-c2nc(CCNC(=O)c3n(C)ncc3C(=O)O)c(C)o2	6
+c1cc(ccc1)-c2nc(COc3ccc(cc3)Sc4nc(-c5ccccc5)c(CCC(OC)=O)s4)c(C)o2	547
+c1cc(ccc1)-c2nc(CNc3nc4c(nc3)cccc4)[nH]c2	5050
+c1ccccc1-c2oc(C)c(n2)COc3cccc(COc4nn(Cc5ccccc5)cc4C(OCC)=O)c3	4594
+c1cc(ccc1)-c2nc(COc3ccc(cc3)Sc4nc(c(CCC(=O)O)s4)-c5ccccc5)c(C)o2	4
+c1ccccc1-c2nc(Sc3ccc(cc3)O)sc2CCC(OC)=O	10728
+c1ccccc1-c2cc(C(=O)OC)cc(n2)O	700
+c1cc(ccc1C=CC(=O)OC)-c2cc(nc(NC(CCC(c3ccc(OCC)c(c3)OCC)=O)=O)c2)-c4ccccc4	699
+c1cc(ccc1)-c2nc(nc(n2)N3CCC(CC3)C(NCc4ccc(cc4)Cl)=O)NC	9
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(=O)O)n2	744
+c1cc(ccc1)-c2c(nnc(n2)N)-c3cc(O)cc(Cl)c3	5
+c1cc(ccc1)-c2c(oc(n2)C)-c3ccc4n(c3)c(nn4)C(C)C	757
+c1cc(ccc1)-c2nc(sc2)C(O)=O	6
+c1cc(ccc1)-c2c(O)c(C(NC(c3ccccc3)CC)=O)c4ccccc4n2	14
+c1cc(ccc1)-c2nc3n(n2)ccc(NC(=O)c4n(Cc5ccccc5)ncc4C(O)=O)c3	6
+c1cc(ccc1)-c2ncc(cc2)C(O)=O	6
+c1cc(ccc1)-c2ncc(C(C)C)cc2	1747
+c1cc(ccc1)OC(=O)Nc2cnc(cn2)-c3ccccc3	2205
+c1cc(ccc1)C#Cc2c(-c3ccccc3)nn(CC(OCC)=O)c2NC(=O)C	1249
+c1cc(ccc1Br)-c2cnc(NN)nn2	10729
+c1ccccc1-c2cc3c(cccc3nn2)C	3149
+c1cc(ccc1)-c2nnn(c2)-c3ccc(cc3C#N)-c4nccc(C(O)=O)c4	1
+c1cc(ccc1)-c2noc(C)c2-c3oc(-c4ccc(-n5ccnc5)cc4OC)nn3	431
+c1cc(ccc1)-c2noc(C)c2-c3nnc(o3)-c4c(cc(N)cc4)OC	0
+c1cc(ccc1)-c2c(COc3ncc(C(=O)OC)cc3)c(on2)C	91
+c1cc(ccc1)-c2c(COc3ccc(nn3)Cl)c(on2)C	485
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CON=C(C(O)=O)c4cnccc4	3
+c1ccccc1-c2nc(C3CCCC3Cc4cc(ccc4)C(=O)N)oc2-c5ccccc5	10730
+c1cc(ccc1)-c2c(-c3ccccc3)nc(o2)C=4C(Cc5cccc(NC(=O)NC(c6ccccc6)=O)c5)CCCC=4	2462
+c1cc(ccc1)-c2nc(C)c(CCO)o2	44
+c1cc(ccc1)-c2oc(c(C)n2)CCOc3cc4c(cc3)C(CC4)CC(=O)O	3
+c1cc(ccc1)-c2oc(c(n2)CCO)C	88
+c1cc(ccc1)-c2c(nc(C=3C(CCC=3)Cc4cc(ccc4)C(O)=O)o2)-c5ccccc5	1
+c1cc(ccc1)-c2c(C(=O)c3ccc(cc3)O)c4ccccc4o2	5
+c1cc(ccc1)C(c2c(sc(-c3ccccc3)c2)N)=O	5051
+c1cc(ccc1)-c2sc(C)c(n2)CCN	18
+c1ccccc1CC(C(C(OCC)=O)O)NC(=O)c2cccnc2-c3nc(sc3)-c4ccccc4	2896
+c1ccccc1-n2nc(c(C)c2N)C(O)=O	6
+c1ccccc1-n2nc(cc2-c3cccc(c3)CCC)NC(=O)C45CC4C(NC5)=O	3157
+c1ccccc1-n2c(C=3C(C(=CN(c4ccc(cc4F)O)N=3)OC)=O)ccn2	16
+c1cc(ccc1)-n2c3c(cc(N)cc3)cc2C(=O)OCC	0
+c1ccccc1-n2c(nc3cc(-c4nc5ccccc5o4)ccc23)C	1328
+c1cc(ccc1)-n2ncc3c(ncnc23)NN=Cc4ccc(cc4)C(=O)O	878
+c1ccccc1-n2cc(C#N)c(-c3oc([N+](=O)[O-])cc3)n2	4558
+c1cc(ccc1)-n2nc3ncc(N)cc3c2	13
+c1ccccc1-n2c3cc(CO)ccc3nc2	98
+CN(C)C(=O)c1nn(nc1C(=O)O)-c2ccccc2	1
+c1cc(ccc1)-n2nc(cc2NC(=O)c3c(Cl)cc(Cl)c(c3)-c4ccccn4)C(=O)O	6
+c1ccccc1-n2cnc(n2)C(NC3CN(c4nccn5ccnc45)CC3)=O	855
+c1ccccc1-n2nc3ncc(NS(=O)(=O)c4ccccc4)cc3c2	322
+c1ccccc1-n2c(N)ccn2	2257
+c1cc(ccc1)-n2c3CCCC(CC(O)=O)c3cn2	3
+c1cc(ccc1)C2C(N3C(C4N(CCN(C4)C(Nc5n(-c6ccccc6)ncc5)=O)C3=O)=O)C2	437
+c1cc(ccc1)-c2sc(NC(C)=O)c(C(c3ccccc3)=O)c2	268
+c1cc(ccc1)-c2nn(c3c2CCC4C(C(=O)CCC34c5ccccc5)C)C	1624
+c1cc(ccc1)-c2nc(OCc3ccccc3)cc(C(OC)=O)c2	140
+c1cc(ccc1)COc2cc(cc(c2)CC(OCC)=O)-c3ccccc3	11
+CC(C)(c1ccc(cc1)-c2ccccc2)C(NC)C(O)=O	11
+c1cc(ccc1CC(C(OCC)=O)CP(C(NC(=O)OCc2ccccc2)C)(=O)O)-c3ccccc3	11
+c1cc(ccc1CN2C(=NC(=C(c3ccccc3)C2=O)C)SCC)-c4c(C#N)cccc4	1100
+c1ccccc1-c2nnc(Cc3ccc(cc3)OC)c4ccccc24	519
+c1ccccc1-c2cnc(N)cc2	89
+c1cc(ccc1)-c2cc3c(NC(C3)=O)cc2	11
+c1cc(ccc1)C=2c3ccccc3C(=O)OC=2C(O)C	10731
+c1ccccc1-c2nc(ncc2-c3ccccc3)N	10732
+c1ccccc1-c2cnc3cc(c(OC)c(c3n2)C(OC)=O)-c4ccccc4	495
+C1CC(CCN1CC=Cc2ccccc2)NC3=CC(=O)Oc4ccc(-c5ccccc5)cc34	11
+c1ccccc1-c2cc3c(nc2)N(C(=O)C(=C3O)C(OCC)=O)OCc4ccccc4	89
+c1nc(ncc1)N2CCN(CC2)C(=O)Cn3c(-c4ccccc4)nc(c3Br)Br	1795
+c1ccccc1-c2c3c(n[nH]2)cnc(-c4cccnc4)c3	1196
+c1ccccc1-c2nc(Cl)c(c(n2)Cl)N	2294
+c1cc(ccc1)-c2ncnc(c2)Cl	198
+c1ccccc1-c2nn3c(cc2)ncc3[N+]([O-])=O	519
+c1cc(ccc1)-c2cnc3n(cc(-c4cc(ccc4Cl)NC(c5oc(cc5)C)=O)n3)c2	537
+c1ccccc1-c2c(c(Cl)c3c(nccc3)n2)C	140
+c1ccccc1-c2sc3c(C#N)cnc(NC4C(NC(C)CC4)C)c3c2	10733
+c1ccccc1C2N(C(OCc3ccccc3)=O)CCN(c4ccccc4)C2	79
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3cc4c(NC5CCN(c6ccccc6)C(=O)C5)ncnc4cc3	654
+c1ccccc1Nc2ccccc2OC	230
+c1ccccc1COc2c(cnc(C)c2OC)C(NCc3ccc(cc3)F)=O	10734
+c1ccccc1Oc2nc(c(C)c3n(CCOCC#Cc4ccccc4)c(C)nc23)C	1244
+c1ccccc1CCCOCCn2c3c(C)c(nc(N)c3nc2C)C	213
+c1cc(ccc1)-c2[nH]c3c([N+]([O-])=O)cc(C)cc3c2	2292
+c1cc(ccc1)C#Cc2c(n[nH]c2N)C	1670
+c1ccccc1S(=O)(=O)n2c3c(c4c2ncc(Cl)c4)cc(cc3)CCc5ccccc5	1702
+c1cc(ccc1)C#Cc2ccccc2C(OC)C#Cc3ccc(cc3)OC	121
+c1ccccc1C(=C2C(=O)N(c3ccccc23)C(C)=O)Nc4ccc(cc4)CC(=O)OCC	5052
+c1ccccc1C(Nc2ccc(cc2)N(C)C(=O)C)=C3C(=O)N(c4ccccc34)C(C)=O	5052
+c1ccccc1C(CC(=O)OCC)c2cc(OC)cc3c2cc[nH]3	5053
+c1cc(ccc1)C(=O)C=Cc2ccc(cc2)C(=O)O	307
+c1cc(ccc1)C(CCc2ccc(cc2)C(=O)O)=O	2301
+c1ccccc1Cn2c3c(cc2-c4ccccc4)CN(CC3C)Cc5ccccc5	4541
+c1ccccc1C(CCN2CCC(CC2)CCCc3ccccc3)=O	1644
+c1cc(ccc1)C(=O)CCN2CCN(CC2)c3cc(F)c(cc3F)O	5
+c1cc(ccc1)C(=O)N(C)C(Cc2ccccc2)CCN	51
+c1c(N)cc(cc1)C=CCCNC	5054
+c1ccccc1C(=O)N(C)CCOc2ccc(cc2)C=O	57
+CC(C)(O)c1nc(N2CC3CSC(=N)NC3(C2)c4cnccn4)ncc1F	5055
+c1(c(F)c(ccc1)C23C(C(CF)OC2)CSC(N)=N3)F	10735
+FC(F)(C1C2CSC(NC2(CO1)c3c(F)ccc(NC(c4cnc(cn4)-n5ncnc5)=O)c3)=N)C	5055
+c1cc(ccc1C2CCCN2c3cc(NC(=O)N)ncc3)F	10736
+c1cc(ccc1)COc2c(NC(=S)NC(=O)c3ccccc3)nccc2	1780
+c1ccccc1C(NC(=S)Nc2cc(cc(Br)c2)OCc3ccccc3)=O	865
+c1cc(ccc1-c2nc(C)ns2)NC(=S)N	3098
+c1cc(ccc1)C(=O)NC(=S)Nc2ccc(cc2)F	865
+c1cc(ccc1)C(=O)NC(=S)Nc2ncc(cc2Oc3ccc(cc3)C#N)Br	1780
+c1ccccc1C(NC(Nc2ccccc2OCCC)=S)=O	865
+S=C(N)NCc1nc2c([nH]1)cccc2	2806
+c1ccccc1C(NC(Nc2ncc(cc2Oc3ccccc3)Cl)=S)=O	1780
+n1c2c(cccc2)c([nH]1)C=Cc3c(cccc3)NC(N)=S	3098
+c1cc(ccc1NC(=S)N)F	401
+c1cc(ccc1C#N)Oc2c(ncc(Br)c2)NC(=S)N	401
+C1COCCC1c2ccc(c(NC(N)=S)c2)OC	401
+NC(=S)Nc1cccc(-c2nccc(OC)c2)c1	401
+C(c1c(cc(C)cc1)NC(N)=S)CC	401
+c1cc(ccc1)C(=O)N=C2SCC3C(COC3C(F)(F)C)(N2)c4c(F)ccc(NC(c5cnc(cn5)-n6ncnc6)=O)c4	10737
+C1SC(=NC2(C)C1COc3c2ccc(c3)F)N	10738
+c1cc(ccc1)C(NCCc2cc3c(cc2)[nH]c4ncc(cc34)Cl)=O	5056
+c1cc(ccc1)C=2c3ccc(cc3CCN=2)OC	1753
+c1cc(ccc1)C(OCC(=C)CCO)=O	1974
+c1cc(ccc1)C(OCc2nc(cs2)-c3ccc(cc3)C(O)=O)=O	963
+c1cc(ccc1OCCCOc2c(cc(cc2Cl)O)Cl)-n3c(SC(C)C)nnn3	818
+CC(C)(CCCc1ccc2cc(c(cc2c1)N3S(=O)(=O)NC(=O)C3)O)CO	818
+c1cc(ccc1)C(c2c(ccc(c2)F)NC(=O)n3cncc3)=O	10739
+c1cc(ccc1)C(c2c(ccc(Br)c2)O)O	488
+c1c2c(ccc1)C(=O)N(C2=O)Cc3nccn3-c4ccc(cc4C(=O)c5ccccc5)Br	4543
+c1ccccc1-c2onc3c2cc(C)cc3	3159
+c1cc(ccc1)C(=O)c2ccc(C(Nc3cc(C=CC(=O)O)ccc3)=O)o2	108
+c1ccccc1C(c2cc3nccnc3cc2)O	488
+c1cc(ccc1)Cc2cccc(c2)C(O)=O	394
+c1cc(ccc1)C(=O)c2cc(C(=O)N3Cc4ccoc4CC3)ccc2	30
+c1cc(ccc1)Cc2cccc3ccccc23	394
+c1cc(ccc1)C(c2noc(CSc3ccccc3)n2)=O	10740
+c1ccccc1-c2sc3cc(c(C(=O)OC)cc3n2)OC	2179
+c1cc(ccc1C=CC(=O)C(CC=Cc2c(C)cccc2)c3ccccc3)Cl	964
+c1cc(ccc1CC(c2ccccc2)C(C)O)Cl	100
+c1ccccc1C(C2CCCCC2)CO	95
+c1ccccc1C(CO)CC=C	44
+c1ccccc1C(C(c2ccccc2)OC(C3CCCCC3Cc4cc(OC)ccc4)=O)=O	4231
+CC(C)(C(=O)C)C(c1ccc2n(-c3ccc(cc3)F)ncc2c1)c4ccccc4	86
+c1cc(ccc1)-c2c3c(n[nH]2)cc(cc3)C(c4ccccc4)C(C)(C)C(O)=O	4
+c1ccccc1CNC(C(C)O)c2ccccc2	42
+c1cc(ccc1)C(C(c2cccc3ccccc23)O)CNC	1925
+c1cc(ccc1)C(C)(C)NC(=O)c2cc3c(n(C(=O)OCC)nc3NC(=O)c4ccccc4N)s2	0
+c1cc(ccc1)C(C)(CO)CCCCBr	44
+C1(c2c(C(=O)N1CCCCCC(C)(c3ccccc3)CO)cccc2)=O	966
+c1ccccc1C(CCC(N)CO)C	191
+O=C1c2ccccc2C(C)C1	214
+c1cc(ccc1C)S(=O)(=O)OCC(C)c2ccccc2	36
+c1cc(ccc1)C(C)N2CC(CC2=O)CC(C(=O)O)C	4
+c1cc(ccc1)C(N2C(CC(CC(C)CO)C2)=O)C	21
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5cc(NC(NC(c6ccccc6)C)=O)ncc5c(n4)NCC	10741
+c1cc(ccc1)C(C2COCCN2Cc3sc4c(C(C(C(NCc5ccc(cc5)Cl)=O)=CN4CCOC)=O)c3)O	822
+c1ccccc1COc2c(cc(cc2)OCc3ccccc3)OCC(=O)c4ccccc4	702
+c1cc(ccc1C(=O)CCC(c2ccccc2)=O)OC	10742
+c1cc(ccc1-c2nc(-c3ccccc3)cs2)Br	1741
+c1cc(ccc1Cn2c3ccccc3nc2CC4CCN(CC4)CCNc5nc(cs5)-c6ccccc6)F	354
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OC)-c4c(n(nc4)C)NC(CC(C)c5ccccc5)=O	195
+CC(C)CC(C(=O)NC(CO)C(O)C(O)C(O)C(=O)NC(c1ccccc1)CC(N)=O)N	334
+c1ccccc1C2CC(c3c(C2)c(OC)ccc3)=O	214
+c1cc(ccc1)C2Cc3c(C(=O)C2)ccc(OC)c3OC	214
+c1ccccc1C(c2cc(ccc2)OC)CCO	95
+c1cc(ccc1)C(CC(OCC)=O)Nc2c(ccc(C#N)n2)N	13
+c1cc(ccc1O)NC(=O)C(c2ccc(cc2)O)=C(c3ccccc3)CC	241
+c1cc(ccc1)C(C)(CC=C)CO	237
+c1cc(ccc1)C(=O)CCCn2c3c(cnc4c3cccc4)nc2	155
+c1cc(ccc1Br)CN2C(C3(CCN(CC3)CCC(O)c4ccccc4)CC2)=O	74
+c1cc(ccc1)C(O)CCc2c(C(OC)=O)cc3nc(C)n(c3c2O)CCOC	74
+c1ccccc1C(CCc2cccc(OC)c2)N	18
+c1cc(ccc1)C(CCc2cc(OC)ccc2)N=[N+]=[N-]	841
+c1ccccc1NCC(N(C)C(CN2CC(OCCOCCOCCOCCOCCOC)CC2)c3ccccc3)=O	10
+c1cc(ccc1)-c2oc(-c3ccc4nc(C)[nH]c4c3)nc2	10743
+c1cc(ccc1)C(CNCCO)Nc2cc(-c3ccc4c(c3)c(F)[nH]n4)cnc2	15
+c1ccccc1C(CC(OCC)=O)Cc2ccc(cc2)OC	10744
+c1ccccc1C(F)(F)C#N	143
+c1ccccc1C(F)(F)C(F)(F)c2c(CO)cccc2	49
+c1cc(ccc1C=O)-c2cc(CN(C(c3ccccc3)=O)C)ccc2	11
+c1ccccc1C2N(Cc3ccccc3)C(=O)COC2C	467
+c1ccccc1C(Nc2nccc(-c3c(c[nH]c3-c4ccc(cc4)F)C5=CCN(C(OCC=C)=O)CC5)c2)C	182
+c1ccccc1C(N)COC(F)F	45
+c1ccccc1C(C2CC(N(C2)C(c3ccccc3)C)=O)O	74
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)[N+]([O-])=O)C	20
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)N)C	0
+c1cc(ccc1S(=O)(=O)OCCC2CCN(CC2)C(c3ccccc3)=O)C	1312
+C1CC2(CCN1)Cc3ccccc3C2=O	5054
+c1-2ccccc1NCCc3nc(C)[nH]c-23	10745
+c1cc(ccc1)COC(=O)NC(CC(C)C)C(=O)NC(C(O)C(O)C(C(=O)NC(c2ccccc2)CC(=O)O)O)CO	1403
+c1cc(ccc1)C(NC(=O)Cc2ccc(cc2)OCC(c3c(nccc3)C)O)c4c(cc(C)cc4)C	652
+NC(=S)Nc1nc(ccc1)C	401
+CC(C)S(=O)(=O)NC1CCC(CC1)CNC(N)=S	401
+C1COCCN1c2ccc(OC)c(NC(=S)N)c2	401
+C1CN(CCO1)c2cc(NC(=S)N)c(cn2)OC	401
+NC(=S)Nc1nc(ccc1)Br	401
+c1cc(ccc1)C(NC(CC(=O)OCC)c2cccc(N)c2)=O	0
+O=S(=O)(c1cc(N)ccc1)Nc2cccc(c2)C(NC(=O)c3ccccc3)CC(OCC)=O	0
+c1ccccc1-c2nnc(o2)CCC(OC)=O	877
+c1ccccc1C(=S)Nc2c(Cl)c(ccc2)C	581
+c1cc(ccc1)C(Nc2nccc3c2ccc(c3)CN=[N+]=[N-])=O	925
+c1cc(ccc1)C(Nc2c3c(ccn2)cc(CO)cc3)=O	41
+c1ccccc1C(CN)Nc2cncc(c2)Br	45
+c1cc(ccc1)C(Nc2c3ccc(cc3ccn2)CN)=O	18
+c1ccccc1C(O)(C)CCOS(=O)(=O)c2ccc(cc2)C	36
+c1ccccc1-c2nc(-c3ccc(cc3)-c4nc5c([nH]4)cccc5)no2	910
+C1CC(CCC1c2ccc(cc2)-c3nnn(C)c3NC(=O)OC(c4ccccc4)C)CC(=O)OCC	2907
+c1ccccc1C2CCc3c(C(=O)OC)cc4nc(C)n(CCOC)c4c3O2	10746
+c1cc(ccc1)C2c3c(CN(C)C2)c(cc(c3)Cl)Cl	5057
+c1ccccc1C(CNC(C2CC(CCC2C(C)C)C)=O)=O	155
+C(C(COC1OCCCC1)C)O	682
+c12c(NC3CN(CC3)Cc4cccc(OCCO)c4)cccc1cncc2	682
+c1c(Oc2cccc3c2CNC3=O)c(cc(c1)Nc4ncnc5c4n(CCO)cc5)Cl	682
+c1c(Oc2cccc3sncc23)c(cc(c1)Nc4ncnc5c4n(CCO)cc5)Cl	682
+c1cc(ccc1)C(OCc2nc(-c3ccc(cc3)CO)cs2)=O	49
+C(c1cc(cc(CC)c1OCCCCOCC(OCC)OCC)O)C	818
+Clc1c(c(C)cc(O)c1)OCOC	818
+Clc1cc(cc(Cl)c1OCc2ccccc2Cl)O	818
+c1c(c([N+]([O-])=O)cc(c1)O)OCC(OC)=O	818
+O=S(=O)(C(c1ccccc1)C(C)(C)O)N	4939
+c1cc(ccc1)CCC(c2ccccc2)c3cn(Cc4ccccc4)cn3	371
+c1cc(ccc1)C(c2cccc(CC(O)=O)c2N(C)C)=O	4
+c1cc(ccc1)-c2c3c(no2)c(ccc3)C	3159
+c1ccccc1C(=O)c2c(NC(C)=O)sc3ccccc23	10747
+c1ccccc1C(c2cnc3c(c2Nc4c(C)cccc4)cccc3OC)=O	179
+c1cc(ccc1)-c2onc3c2ccc(c3)C	3159
+c1cc(ccc1)C(NC(=O)Cc2ccc(cc2)OCC(c3cccnc3C)=O)c4c(cc(C)cc4)C	9
+c1ccccc1Cc2cc(ccc2O)Br	452
+c1cc(ccc1)Cc2cc(OC)c(c(c2)Br)OCCOC	452
+c1cc(ccc1)COc2cccc(c2)C(C(=O)O)(c3ccccc3)O	3
+c1ccccc1C(c2ccc3n(-c4ccc(cc4)F)ncc3c2)C(C)(C)CO	21
+c1ccccc1C(c2ccc(o2)C(=O)O)=O	1
+c1cc(ccc1)C(c2ccc(Cl)cc2C)NC(Cc3ccc(O)c(N)c3)=O	0
+c1cc(ccc1)C(c2c(cc(Nc3c4cc(ccc4ncn3)-n5cncc5)cc2)Cl)=O	73
+c1ccccc1C(=O)c2ccc(c(CC=C)c2O)O	423
+c1cc(ccc1C(=CC(=O)O)c2ccccc2)[N+](=O)[O-]	108
+n1c2ccccc2nn1-c3cc(cc(c3O)Cc4c(OC)ccc(C(=O)c5ccccc5)c4O)C	10748
+c1ccccc1C(c2ccc3occc3c2)=O	335
+c1ccccc1C(c2ccccc2)(C(O)C(=O)O)C	3
+c1ccccc1C(c2ccccc2)(CC(N(C)C)C)C(=O)CCCC=C	86
+c1ccccc1C(c2ccccc2)(CC3CCNCC3)C(=O)N	25
+c1cc(ccc1F)C2(c3ccc(cc3)F)C(N(CC(NCC(c4ccccc4)(c5ccccc5)C)=O)CC2)=O	9
+c1cc(ccc1)C(c2ccccc2)(O)C3C(C)(C)C(=O)N(C4C5CC(CC4CCC5)C(OC)=O)C3	1412
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4ccc(cc4)N)O	0
+c1ccccc1C(c2ccccc2)(C3CNCC3)C#N	2721
+c1ccccc1C2(c3ccccc3)C(=O)NCCC2	5058
+c1ccccc1C(c2ccccc2)(O)CCNC(c3ccccc3)=O	93
+c1ccccc1C(c2ccccc2)(CN)CNCC(C)(C)C	12
+CC(C)(C)OC(=O)NC(CO)CCN1CC(C1)Sc2ccc(cc2)Cl	3160
+CC(C)(C)OC(=O)NC(CCN1CC(C1)S(=O)c2ccc(cc2)Cl)CO	3160
+C1C2CCCC(CC1C(OC)=O)C2N3C(=O)C(C)(C)C(C3)CO	3160
+c1ccccc1C(c2ccccc2)=C3CCN(CC3)c4[nH]c5ccccc5n4	5059
+c1cc(ccc1)C(c2ccccc2)(O[SiH2]C(C)(C)C)C(NC(OC(C)(C)C)=O)CCN3CC(C3)Sc4ccc(cc4)Cl	183
+c1cc(ccc1)C(c2ccccc2)(O)C(NC(=O)OC(C)(C)C)CCN3CC(C3)S(=O)c4ccc(cc4)Cl	1412
+c1cc(ccc1)C(c2ccccc2)(O)C(CCN3CC(C3)Sc4ccc(cc4)Cl)NC(=O)OC(C)(C)C	1412
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(O)COCc4ccccc4	604
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC4CC(O)CCC4NC(=O)OCc5ccccc5	604
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5c(c(I)n4)cc(Br)c(c5)[N+]([O-])=O	2271
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(-c5ccccn5)c(-c6ccnc(c6)Br)c4	10749
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(-c5ccc6c(c(O)nc(CCCC)n6)c5)nn4	10750
+C1c2ncc(Br)cc2CN1	10751
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC4=NNC(=O)N4CCC	2082
+C(CCCCCCCCC)CCCCCCOCC(CF)CO	1454
+C(Sc1ccccc1OC)C(OC)CO	1454
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(N4C=CC(=O)NC4=O)CCO	21
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(N4C(=O)NC(C=C4)=O)CC(=O)O	3
+c1ccccc1COCC(CO)OC	1454
+C(CCCCCCCCCCCCCC)CSCC(OC)CO	10752
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC=4N(CCC)C(N(Cc5ccc(cc5)C)N=4)=O	1712
+c1ccccc1COC(NC2CCC(OC)CC2CO)=O	1454
+c1cc(ccc1CN2N=C(CO)N(CCC)C2=O)C	1454
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCc4ccc(cc4)C#N	639
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(I)c5c(CO)nc(cc45)Cl	453
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5c(c(I)n4)cc(Br)c(N)c5	0
+c1nc(c[nH]1)C(=O)c2cccnc2F	5060
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)C(c5cc6ccc(C(=O)NC)cc6cc5)=O	5061
+c1[nH]cc(-c2cc(C#N)ccn2)n1	10753
+C1CC1(O)c2[nH]cnc2	5060
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cnc(C5(CC5)O)c4	88
+C1CN(CCN1C)c2cc(c(cc2)C(=O)Nc3[nH]nc4c3cc(cc4)C(=O)c5cc(F)cc(c5)F)[N+]([O-])=O	10754
+c1ccccc1C(c2ccccc2)=C(C(=O)O)C#N	108
+c1ccccc1C(c2ccccc2)=CCN3CCN(CC3)c4ccc(cc4)C#N	10755
+c1cc(ccc1)CN2CCC(Oc3cccc(n3)N)CC2(C)C	2664
+c1cc(ccc1)C(c2ccccc2)=Nc3ccc(cc3)-c4nnc(OC5CN6CCC5CC6)cc4	2017
+c1cc(ccc1CC2(C(=O)OC)CCCC(N)C2)F	10756
+c1cc(ccc1)C(c2ccccc2)=NC3CC(CCC3)(Cc4ccc(cc4)F)C(=O)OC	1161
+c1c(C)c(c(cc1N)C)-c2c(C)cncc2C	828
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C4(NC(=S)COC4)C5CC5)c(F)cc3	199
+C1CC1C2(COCC(=S)N2)c3cc(N)ccc3F	828
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C45NC(=S)COCC4C5)c(F)cc3	199
+C1C2CC2(c3c(F)ccc(N)c3)NC(CO1)=S	828
+C1COCCN1S(=O)(=O)Nc2cc(N)cnc2Cl	3161
+C(C)OC(c1cnc2c(ccc(N)c2)c1)=O	828
+c-12c(CCOc3cc(N)ccc-13)cc(C(N(c4c(Cl)cccc4)C)=O)s2	828
+c1cc(ccc1N)-c2ccc(OC3CN4CCC3CC4)nn2	828
+CC(C)C=1Oc2cc(ccc2C(=O)C=1c3ccc(cc3)Cl)N	828
+O=S(=O)(C)Nc1cc(N)cnc1C	3161
+CC(C)(C)OC(Nc1cc(cnc1Cl)N)=O	3161
+CC(C)(C)OC(N1CC(OCC1)c2cnc(cc2)N)=O	5062
+CC(C)(C)[Si](C)(C)OCC(C)(C)n1cc(c2cncnc12)C(c3cc(N)ncc3)=O	5062
+c1cc(ccc1)C(c2ccccc2)CO	95
+c1cc(ccc1)C(c2ccccc2)C(N3CCC(CC3)CCn4cc(C(C(O)=O)Cc5cnc(cc5)N)nc4)=O	3
+c1cc(ccc1)C(c2ccccc2)C(=O)Nc3cnc(nc3O)C=O	2287
+c1cc(ccc1)C(c2ccccc2)CC(N3CCNCC3)=O	2
+c1cc(ccc1)C(c2ccccc2)CCN3CC(NC(=O)OC(C)(C)C)CC3	15
+c1cc(ccc1)C(c2ccccc2)CC(N3CCN(CC3)CC(O)=O)=O	3
+c1cc(ccc1)C(c2ccccc2)CCN3CCC(N)C3	12
+c1ccccc1C(c2ccccc2)CCN3CCN(CC3)c4cc(C(N(Cc5ccccc5)C)=O)ccc4	30
+c1cc(ccc1)C(c2ccccc2)CCN3CCN(CC3)c4cc(C(=O)O)ccc4	6
+c1cc(ccc1)C(c2ccccc2)CN(Cc3cc(ccc3)OC(F)(F)F)CCCOc4cc(ccc4)CC(=O)O	4
+c1cc(ccc1)C(c2ccccc2)CN(CC3CCN(CC3)Cc4ccc(cc4)Cl)C(CNC(c5ccccc5)=O)=O	10
+c1cc(ccc1)C(c2ccccc2)NC(c3c(O)nc(COCc4ccccc4)nc3)=O	484
+c1cc(ccc1)C(c2ccccc2)N3c4ccccc4C(C3=O)(O)c5c(O)cc(OCc6ccccc6)cc5	1115
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4ccccc34)c5cc(OC)ncc5O)=O	462
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4ccccc34)c5cc(c(cc5O)F)F)=O	462
+O(C)c1cc2c(cn1)OCC23c4ccccc4NC3=O	3162
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CN	51
+c1ccccc1C(c2ccccc2)N3CC(C3)(NCc4ccccc4)CNC(C)C	15
+C1NCC1C(c2cc(cc(c2)F)C(=O)OCC)C(C)(C)F	539
+C1NCC1Cc2cn(c3ccc(cc23)F)C	539
+C1CC(CCN1C2CNC2)C(=O)N3CCC3	539
+C1CN(CCC1C(N(C)C)=O)C2CNC2	539
+C1CN(CCN1C2CNC2)C(=O)CC	539
+FC(F)(F)C(N1CCN(CC1)C2CNC2)=O	539
+C1NCC1N2C(CCO)COCC2	539
+c1cc(ccc1)C(c2ccccc2)N3CCN(CC3)CCCNc4cc(Cl)c(cc4N)Cl	0
+c1cccc2NC(C3(c4c(cc(F)c(c4)F)OC3)c12)=O	3162
+c1cc(ccc1)C(c2ccccc2)N3C(=O)C(c4ccc(OCc5ccccc5)cc4O)c6c3cccc6	462
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4cc(ncc4O)OC)(c5c3cccc5)O)=O	2942
+c1cc(ccc1)C(c2ccccc2)N3c4ccccc4C(c5cc6c(OCC6(C)C)cc5O)C3=O	462
+c1cc(ccc1)C(c2ccccc2)NC(=O)c3c(O)nc(CO)nc3	118
+CC(C)(C)c1nc(sc1)-c2cc3c(o2)ccc(c3)OCc4ccccc4OC(CCC)C(O)=O	10757
+c1ccccc1C(c2ccccc2)OCC3CCN(CC3)CCN	45
+c1cc(ccc1)C(n2c3cc(NC(c4ccc(cc4)[N+](=O)[O-])=O)ccc3nc2)CC(OCC)=O	50
+c1cc(ccc1C(=O)Nc2cc3n(C(CC(OCC)=O)c4ccccc4)cnc3cc2)N	0
+c1ccccc1CN2c3ccccc3C(c4ccccc4)(O)C2=O	1126
+c1ccccc1C2(CC(C2)C)c3c(ccc(c3)OCc4ccc5cc(ccc5n4)F)C(=O)C	155
+c1cc(ccc1)COCC2C(CN)(c3ccccc3)C2	51
+c1c2C3(C(=O)NC(CC3)=O)CCC(=O)c2ccc1	3090
+C1CC(CCC1(N(C)C)c2ccccc2)C=O	3663
+c1cc(ccc1)C2(CCCCC2)CNc3c4c(cccc4)nc(n3)Cl	40
+c1cc(ccc1)C2(CCCCC2)CNc3ncnc4ccccc34	10758
+C1CN(CCC1(c2ccccc2)C(=O)N3CCN(CC3)Cc4ccccc4)C	10
+C1CN(CCC1(c2ccccc2)CN)Cc3ccccc3	51
+C1CC(CCN1)(CN2CCN(CC2)C)c3ccccc3	25
+c1cc(ccc1)COC(=O)N2CC(CCC2)(N)c3ccccc3	18
+c1cc(ccc1)C2(NC(N(CC(=O)c3ccc(cc3F)N)C2=O)=O)CCC	106
+c1cc(ccc1)C2(c3ccccc3)CNCC2	15
+c1cc(ccc1)C2(c3ccccc3)Cc4[nH]nc(C#N)c4C=C2	331
+c1cc(ccc1)C2(c3ccccc3)CCN(C(CN4CCCC(c5ccc(cc5)F)(c6ccc(cc6)F)C4=O)=O)C2	10
+c1cc(ccc1F)C2(c3ccc(cc3)F)CCN(C2=O)CC(N4CC(c5ccccc5)(c6ccccc6)CC4)=O	10
+c1cc(ccc1)C23C(C(C(CC2)=O)C)CCc4c3nc(-c5ccccc5OC)nc4OC	97
+c1cc(ccc1)C2=C(C=CC=O)N(C)C(=O)c3c2cccc3	10759
+c1cc(ccc1)C2=C(c3ccc(OC)cc3CCC2)CCCCCCO	10760
+c1cc(ccc1)C=2CCCc3c(ccc(O)c3)C=2CCCCCCO	5
+c1ccccc1C=2C(=O)N3Cc4c(cccc4)C3=C(C=2)C(O)=O	2882
+c1cc(ccc1)C2CC(c3c2cccc3)CC(=O)OCC	3040
+c1ccccc1C2CCCc3sc(nc23)Nc4ccc(cc4)-c5nc(C)ns5	2522
+c1ccccc1CCNC(CN2c3ccccc3SC(c4ccccc4)C(C2=O)NC(c5[nH]c6c(cccc6)c5)=O)=O	9
+c1cc(ccc1)C2Cc3c(ccc(OC)c3)C2	165
+c1ccccc1C2c3c(C(C2)CCO)cccc3	44
+c1ccccc1C2CN(C)CCc3c2ccc(O)c3N	0
+c1ccccc1C2NCCOC2	15
+c1cc(ccc1)C2Cc3ccc(cc3C2)O	5
+c1ccccc1C2N(C(CC2COS(=O)(=O)c3ccc(cc3)C)=O)C	36
+c1cc(ccc1)C2OC(=O)CCC=CCC(CC(=O)NCc3ccc(cc3)Cl)C(=O)N(C)C2C	9
+c1cc(ccc1)C2CN(CCc3c2ccc(c3[N+]([O-])=O)O)C	5
+c1ccccc1C2c3c(C(C2CC)=O)c(c(Cl)c(O)c3)Cl	5
+C1(=O)c2ccccc2C(=O)N1CCN3C(C=CC(=N3)c4ccccc4)=O	332
+c1cc(ccc1)C=2C=CN(CCC(C)(S(=O)(=O)C)C(NO)=O)C(=O)C=2C	792
+C1CN(CCC1c2ccccc2)CCCC(Nc3ccccc3C(=O)N)=O	191
+c1ccccc1C2c3ccc(OC)cc3CCN2	2262
+C1CCCCN1CCOc2c3c(nc(O)cc3)c(cc2)Cl	3163
+c1cc(ccc1)C=CC(=O)Nc2cc(ccc2)OCC(=O)O	4
+c1cc(ccc1)C=CC(=O)Oc2c(cc(cc2)[N+]([O-])=O)N	0
+c1cc(ccc1)C=CC(Oc2c(N)cc(N)cc2)=O	0
+c1c2c(c(c(c1)F)C)nc(cc2)O	3163
+c12c(ccc(O)n1)cccc2F	3163
+c1cc(ccc1)C=Cc2onc(-c3ccc(cc3)Cl)c2COc4ccc(C(=O)OC)cn4	91
+c1ccccc1C=Cc2cc(ccn2)-c3[nH]c(C(C)C)c(C(N)=O)c3	10761
+c1cc(ccc1)C=Cc2onc(c2C(O)=O)-c3ccc(cc3)Cl	6
+c1cc(ccc1F)-c2noc(C=Cc3ccccc3)c2CO	5063
+c1cc(ccc1)C=Cc2c(c(no2)-c3ccc(cc3)Cl)CO	5063
+c1cc(ccc1)CC(O)C=CC2N(CCCCCl)C(CC2)=O	1565
+c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2	1565
+c1ccccc1CC(=O)c2ccc(cc2)CCCC(=O)OC	94
+c1cc(ccc1)CC(c2ccn(S(=O)(=O)c3ccccc3)c2)=O	432
+O=C1c2ccccc2C(=O)N1C3Cc4c(C3)cc(C(=O)Cc5ccccc5)cc4	94
+c1ccccc1CC(c2ccc(cc2)SC)=O	94
+c1cc(ccc1)CC(Nc2ccc(nn2)Cl)=O	195
+c1ccccc1CC(NC2C(N(Cc3c(OC)cc(cc3)OC)C2COC)=O)=O	21
+c1ccccc1-c2c(c3c(cc2CCCCC)cc(OC)cc3)O	10762
+c1ccccc1CC(C#N)C(O)=O	3
+c1cccc2-c3ccccc3C(c12)COC(=O)NCC(=O)NC(Cc4ccccc4)C(NCC(=O)O)=O	10763
+c1cc(ccc1)CCC(NC(Cc2ccccc2)C(OC)=O)=O	188
+c1cc(ccc1)CC(C(OC)=O)Nc2ncnc(Cl)c2	2581
+c1cc(ccc1)CC(CCn2c(COc3ccc(cc3)Cl)nc4c2cccc4C)C(OCC)=O	656
+c1cc(ccc1)CC(Oc2c(c3c(cc(-c4c(c5c(cccc5)o4)C(=O)CCCC)cc3)cc2)Br)C(O)=O	3
+C1CC1NC(=O)C(=O)C(Cc2ccccc2)NC(c3cccnc3-n4cc5ccccc5n4)=O	1363
+c1cc(ccc1)CC(C=O)NC(OCC)=O	378
+c1cc(ccc1)CC(C(NC(C(O)=O)CCCNC(=N[N+]([O-])=O)N)=O)NC(C(C)NC(OCc2ccccc2)=O)=O	10764
+c1cc(ccc1)C(=O)N(C(Cc2ccccc2)CC#N)C	115
+c1ccccc1CC(C(O)=O)CS(=O)(=O)C(C)(C)C(=O)N	210
+c1ccccc1CC(F)(F)CN2CCC(CC2)N	15
+c1cc(ccc1NC(C(Cc2ccccc2)NC(=O)Nc3ccc(cc3)Cl)=O)C4=NCCN4C	10765
+c1ccccc1C=2N(C(C(N(C(C)=O)C=2)C(C)C)=O)CC(NC(Cc3ccccc3)CO)=O	9
+c1cc(ccc1Oc2c3ncn(C4OCCCC4)c3ncn2)NC(NC(=O)Cc5ccccc5)=S	2095
+c1cc(ccc1)CC(NC(=O)c2cccnc2-c3csc(-c4ccccc4)n3)C(=O)C(NC5CC5)=O	1363
+c1ccccc1CC(NC2=NC=C(N(C2=O)CC(OCC)=O)Cl)CN	18
+c1cc(ccc1)CC(CCC2CCCC(N2CCCCOCC(=O)OC)=O)O	460
+c1cc(ccc1)CC2(CNc3cc(ccc23)Cl)C	15
+c1ccccc1Cc2cccc(C#N)n2	1304
+c1ccccc1CC2C(C(=O)OCC)(F)CNC2	25
+c1cc(ccc1)CC2CC(c3c(Cl)c(C(O)=O)ccc3S(=O)(=O)C)=NO2	1
+C1CC(CCC1Cc2ccccc2)=O	97
+c1cc(ccc1)CC2CCN(CC2)C(=O)C3NCC(C3)O	679
+C1CC(CCN1C(C2CC(O)CN2Cc3ccccc3)=O)Cc4ccccc4	1330
+C1CC(CCN1CCC#Cc2ccc3c(ccn3S(=O)(=O)c4ccccc4)c2)Cc5ccccc5	197
+c1cc(ccc1)CC2CN(C(=O)CCc3c4cc(ccc4n(c3-c5ccc(cc5)Cl)C)Cl)CCN2C	10
+OCC(CC=C)c1ccc(c(c1)Cl)Cl	2859
+c1cc(ccc1)CC2COC(=O)N2C(=O)C(OCC)C(O)c3c(cc(cc3)OCc4ccccc4)CC	4731
+c1cc(ccc1)CC2COC(=O)N2C(CC(c3nocc3)c4ccc(cc4)O)=O	16
+c1cc(ccc1)S(=O)(=O)c2ccc(cc2)CCC	2290
+c1ccccc1Cc2c3cc(Br)ccc3[nH]c2C	518
+c1cc(ccc1)CCC(=O)N2C(C)CC(C2)Cn3ncc4cc(-c5cn[nH]c5)ccc34	747
+C1CC(CCN1c2ccc(cc2)OC)NC(=O)CCc3ccccc3	9
+c1cc(ccc1)CCc2oc(C)c(CC(=O)OC)n2	10766
+c1ccccc1CCC(NC(Cc2ccccc2)C(=O)O)=O	4
+c1ccccc1CCC(NC2CSC(CN(CC(O)=O)C2=O)c3ccco3)C(O)=O	3
+c1cc(ccc1)C(c2[nH]cnc2)CCc3ccccc3	2152
+c1ccccc1CCCNc2cccc(Sc3ccc(cc3)CC(OCC)=O)c2	291
+c1ccccc1CCCOc2c(ccc(c2)C(=O)NCC)-n3nnc(c3)C(=O)OCC	8
+c1ccccc1CCCC(C(O)C)(c2nc(C)c3C(N=C(Cc4cc(c(cc4)OC)OC)Nn23)=O)C	100
+c1ccccc1CCCC(C(=O)C)c2nc(C)c3C(=O)NC(=Nn23)Cc4cccc5ccccc45	5012
+c1cc(ccc1)CCCC(C(=O)C)(c2nc(C)c3C(=O)N=C(Nn23)Cc4ccc(OC)c(OC)c4)C	3164
+c1cc(ccc1)CCCC(c2nc(c3C(N=C(Cc4cc(c(cc4)OC)OC)Nn23)=O)CC)C(C)=O	3164
+c1cc(ccc1)CCCC(C(NC(c2nnc(Cc3ccc(OC)c(OC)c3)nc2O)CC)=O)C(=O)C	2299
+c1ccccc1CCCC(C(O)C)c2n3N=C(NC(=O)c3c(CC)n2)Cc4cc(OC)c(cc4)OC	5064
+c1cc(ccc1)CCCCCCCCOCC(O)CN	18
+c1cc(ccc1O)C(O)CCCc2ccccc2	758
+c1cc(ccc1)C(c2ccccc2)(CCCN(CCc3ccccc3)C)C(N)=O	53
+c1cc(ccc1)CCN2CCC3c4cccc(c4CCC23)O	5
+c1cc(ccc1)CCN2C3C(CC2)c4cccc(c4CC3)OC	15
+c1cc(ccc1S(=O)(=O)NCC(C2(CC(C)C)CCN(CCc3ccccc3)C2=O)C(=O)NOCc4ccccc4)OC	293
+C1CC(CCN1CCc2ccccc2)N	733
+c1ccccc1CCNC(C(Nc2ccc(Oc3c4c(ncc3)cc(c(OC)c4)OCc5ccccc5)c(c2)F)=O)=O	242
+c1ccccc1CCSc2ccc(cc2)C=O	607
+c1cc(ccc1[N+]([O-])=O)SCCc2ccccc2	972
+c1cc(ccc1)CCc2c3cc(ccc3ncc2)C(=O)c4ccc(cc4)Cl	4898
+c1cc(ccc1)CCc2oc(C)c(CCO)n2	21
+c1cc(ccc1)CCc2nc(c(C)o2)CC(=O)O	4
+c1cc(ccc1OCc2ccccc2)CC(C(=O)O)O	139
+c12c(cccc1)CC(C2)(CO)c3cn(cn3)Cc4ccccc4	2330
+c1cc(ccc1)CN2C(=O)C(OCC2C)C	10767
+c1cc(ccc1)CN(CC(COc2ccccc2)O)C(Cc3ccc(cc3)NC(=O)c4ccc(cc4)C(=O)OC)CO	67
+c1cc(ccc1)CN(C2C(CN(CCc3ccc(cc3)F)CC2)C(=O)OCC)C	236
+C1CC(CCC1N2CCc3c(ccnc3)C2)N(Cc4ccccc4)C	85
+c1cc(ccc1)CN(C)C2CCC(CC2)=O	97
+c1cc(ccc1)CN(C2C(CO)CN(CC2)CCc3ccc(cc3)F)C	21
+c1cc(ccc1F)C(CN(C)Cc2ccccc2)O	74
+c1ccccc1CN(C)CC(=O)CCc2ccccc2	4456
+N(C)CC1CNC(c2cccc3[nH]cc1c23)=O	25
+c1cc(ccc1)CN(C)Cc2ccc(N)c(OC)c2	0
+c1cc(ccc1)CN(C)C2CCN(CCc3ccc(cc3)F)CC2C(O)=O	3
+c1cc(ccc1C(Nc2ccc(cc2)CC(N(CC(COc3ccccc3)O)Cc4ccccc4)CO)=O)C(=O)O	1
+C1=C(CC)C(NC(N1C2OC(C(O)C2)CNC)=O)=O	25
+c1cc(ccc1)CN(CCc2cccnc2Cl)CCO	15
+c1cc(ccc1)CN(CCOC(C=2C(C(=C(C=O)NC=2C)C(=O)OCC)c3cc(ccc3)[N+]([O-])=O)=O)C	10768
+c1cc(ccc1)CN(CCOC(=O)C=2C(C(=C(NC=2C)CO)C(=O)OCC)c3cc(ccc3)[N+](=O)[O-])C	10769
+c1cc(ccc1)CN2CCOc3c(cccn3)CC2	91
+c1cc(ccc1)CN(Cc2ccccc2)C(C3CCNCC3)=O	2
+c1cc(ccc1)CN(Cc2ccccc2)C(C(O)=O)C(C3CC3)O	3
+c1ccccc1CN(Cc2ccccc2)CC3CCNCC3	15
+CC(C)(O)C(Nc1cccc2c1CCC(N)C2)=O	932
+c1ccccc1CN(Cc2ccccc2)CC(c3cc(c(cc3)O)NC=O)O	16
+c1(N)cnc(cc1)CN(CCO)C	10770
+c1ccccc1CN(Cc2ccccc2)c3cccc(c3CO)[N+]([O-])=O	41
+C1CC1(O)c2c(cccc2)N	5065
+O=S(=O)(N(Cc1ccccc1)CCN2Cc3ccccc3C(C(=O)C2)(O)C4CCC4)c5ccccc5[N+](=O)[O-]	86
+c1ccccc1CC2=Cc3c(N(Cc4ccccc4)C2=O)cnc(c3O)C(OC)=O	10771
+c1cc(ccc1)CN2CCCCC(N)C2	15
+c1cc(ccc1)CN2CC(C)OCC2C	15
+c1ccccc1CN2CC(C(N)C)CC2=O	733
+c1cc(ccc1)CN2CC(CC2)c3c[nH]c4c3c5c(cc4)OCC=C5	15
+c1ccccc1CN2C(=O)CCC2C(=O)NC(C(C(OCC)=O)O)Cc3ccccc3	9
+c1ccccc1CN2C(=O)c3ccccc3-c4cc(ccc24)CC5C(NC(=O)S5)=O	534
+c1cc(ccc1)CN2C=CC=C(C2=O)O	2285
+O1C(C)C(C(=O)O)NCC1	3165
+c1cc(ccc1)CN2CC(CO)CCCC2C	10772
+c1cc(ccc1)CN2CC(OCC2)Cc3ccc(F)c(C)c3	15
+OC(C1NCC(OC1)C)C	25
+c1cc(ccc1)CN2C(CC(N)C2)C(=O)OC	18
+c1ccccc1CN2C(C(C)OCC2)C(OCC)=O	15
+c1cc(ccc1)CN2C(C(O)C)COC(C2)C	15
+c1cc(ccc1)CN2C(C(=O)O)C(OCC2)C	210
+CC1(C)N(Cc2ccccc2)CC(C(C)C)NC1	15
+c1cc(ccc1F)N2CC(C)(C)N(CC2)Cc3ccccc3	79
+C1CCCC(n2cc(-c3cc4cnn(CC5CC(NC5)C)c4cc3)cn2)O1	25
+c1ccccc1CN2CC(C)(C)OCC2C3(CC3)O	15
+C1(NCC2CC(CC12)C)CO	25
+c1cc(ccc1)CN2C=CC(O)=CC2=O	10773
+c1cc(ccc1)CN2C(C=CC(N3c4c(CC3C(=O)O)cccc4)=N2)=O	4
+c1(C)c(F)ccc(OCC2CCCC(NC2)C)c1	25
+c1cc(ccc1N(CCOC)C(C2CN(c3ccc(cc3)OCC)CCN2Cc4ccccc4)=O)N	0
+c1cc(ccc1)CN2C(CC)C(C)OCC2	15
+C(O)CC1NCCOC1	25
+c1ccccc1CN2C3(CCC2)CNCC3	15
+FC1(F)CC2CC(CC1N2)(O)CC(=O)OCC	25
+C1NC2CC(NC(=O)Nc3ccc(F)c(F)c3)CCC2(C1)c4ccc(c(OC)c4)OC	25
+FC1(F)CC2CC(CC1N2Cc3ccccc3)O	59
+c1cc(ccc1)C2(CC3CCC(C2)N3)C(=O)O	25
+c1(c2c([nH]cc2)ncc1)N(C)C3C(C)CCNC3	25
+c1cc(ccc1)CN2CCC(C(c3ccc(cc3)Cl)C2)C(Nc4ccc(C#N)cn4)C	340
+c1cc(ccc1)CN2CC(CC2)C(=O)N	15
+c1cc(ccc1)CN2CC(CC2)CN	10774
+C1(C)C(CCNC1)=O	25
+OC(CC1(OCC(C)NC1)C)C	25
+CCC1C(CCNC1)=O	25
+c1cc(ccc1)CN2CC(CC2)CN	15
+c1cc(ccc1)CN2CCC(CO)C2	647
+c1ccccc1-c2ccn(CC(NCC3CN(Cc4ccccc4)CC3)=O)n2	9
+c1c(cc2cc(C(Nc3cc(F)cnc3)=O)[nH]c2c1)C4CCNC4	25
+c1cc(ccc1)CN2CC(CC2=O)C(C)=O	10775
+c1(cc2c(OCO2)cc1)CC3CNCCC3	25
+O=S(=O)(N1C2C(N(C(NC3CNCCCC3)=O)CC2)C1=O)O	25
+c1cc(ccc1)COC(N2CCOC(CCOC(C)=O)C2)=O	1600
+CC1N(CCNC1)C(=O)C	25
+CCOC(=O)N1CCNCC1C	25
+c1cc(ccc1F)Cn2c3c(cccc3)nc2NC4CCN(CC4)C5CCCNC5	25
+C(CNC1CCNC1)C#N	25
+c1c(C)c2c(ccc(OC)c2)nc1NC3CNCC3	25
+C1CC12C(CNCC2)O	25
+c1cc(ccc1)CN2CC(Oc3ccc(cc3)[N+]([O-])=O)CC2	20
+c1(cc(ccc1F)CC2CNCCO2)C	25
+c1ccccc1CN2CC(c3ccc(c(c3)Cl)Cl)C(N)C2	157
+c1cc(ccc1)CN2CC(CC2)c3cc4c([nH]c(C(Nc5cncc(c5)F)=O)c4)cc3	510
+c1cc(ccc1)CN2CC3c4c(C(=O)C3CC2)ccs4	1487
+C1CN(CCC12CNCC(c3ccc(cc3)Cl)O2)C(c4ccc(c(C)c4)OC(C)C)=O	25
+c1cc(ccc1)CN2CC3C(CCC3C2)N	18
+N1CC2C(C1)C(CC2)O	25
+C1CC2CNCC2C(O)(c3c(cccc3)OC)C1C	25
+c1cc(ccc1)CN2CC3C(CC(C2)C3)=O	86
+c1cc(ccc1)CN2CC3C(O)CC(C2)C3	59
+C1C2CN(CC(CN1)C2)Cc3ccccc3	25
+c1ccccc1COc2ccc3c(c2)COC4CNCC34	25
+c1cc(ccc1)CN2CC3OCc4c(C3C2)ccc(OCc5ccccc5)c4	15
+c1cc(ccc1)CN2CCC3Cc4c(scc4)C3C2	5007
+c1cc(ccc1)CN2CCC3Cc4c(ccs4)C3C2	2501
+C1CC(CCN1Cc2ccccc2)c3ccc(cc3)OC	191
+c1cc(ccc1)CN2CC(C(CC2)C(C)N)c3ccc(cc3)Cl	733
+c12c(N(C)C3C(C)CCNC3)ncnc1[nH]cc2	25
+CCOC(C1CCNCC1O)=O	25
+c1cc(ccc1Cl)C2CNCCC2C(C)Nc3ccc(C#N)cn3	25
+c1cc(ccc1)CN2CC(CC2)CCN	51
+c1cc(ccc1)CN2CCC(Oc3cc(ccc3-c4ccncc4)F)C2	498
+c1cc(ccc1O)-c2cc(C(NC3(CCN(CC3)Cc4ccccc4)C)=O)c5c(C)nn(c5n2)C6CCCCO6	14
+C1CC(CCN1Cc2ccccc2)(Nc3ccccc3)CO	95
+C1CNCCC1(O)C(=O)OC	25
+C1CC2(CCN1Cc3ccccc3)OCc4ccncc24	10776
+C1CC1S(=O)(=O)C2(CCNCC2)c3cc(nc(n3)Cl)N4CCOCC4C	25
+CN(C)C1(CCN(CC1)Cc2ccccc2)c3cnccc3	2062
+C1CC(CCN1Cc2ccccc2)CCCCC#N	1101
+c1cc(ccc1)CN2CCC(CC2)=CCCCC#N	10777
+c1cc(ccc1OCCC)C2(CCN(CC2)Cc3ccccc3)O	251
+C1CC(CCN1Cc2ccccc2)(O)c3ccc(cc3)OC	251
+C1CC(CCN1)COc2ncc(-c3ccc(cc3)S(=O)(=O)C)cc2	25
+C1CC(CCN1)N(CCO)CCCO	25
+C1CC(CCN1)NCC(O)COc2cccc3c2c4c([nH]3)cccc4	25
+C1CC(CCN1)Nc2cccnc2-c3nc4cc(OC)cc(OC)c4c(O)n3	25
+c1cc(ccc1C(c2c(Cl)cccc2)OC3CCNCC3)Cl	25
+C1CNCCC1n2c3ccccc3cc2	25
+c1cc(ccc1)CN2CC=C(CC2)COCc3ccccc3	10778
+c1cc(ccc1)CN2CCC(OC(=O)c3cc(c(N)cc3)OC)C2	0
+c1cnccc1-c2c(cc(cc2)F)OC3CCNC3	25
+C1CC2(CCN1Cc3ccccc3)Cc4c(C2)ccc(OC)c4	414
+C1CNCCC12COC(=N2)c3ccc(cc3)OCCCN4CCCC4C	25
+C1CNCCC12c3ccncc3NC2=O	25
+c1cc(ccc1)CN2CCC3(CCC2)Oc4c(cc(C=CC(O)=O)cc4)C(C3)=O	127
+C1C2Cc3c(C2CNC1)ccs3	25
+C1C2Cc3ccsc3C2CNC1	25
+N1CC(c2cc(ccc2)OC)=CCC1	5066
+c1cc(ccc1)CN2CCCC(Oc3c4c(c(oc4ncn3)-c5ccccc5F)-c6ccc(cc6)OC)C2	2741
+c1cc(ccc1)CN2CCCC(Oc3nnc(cc3)-n4cncc4)C2	485
+c1cc(ccc1)CN2CC(CCC2)Cc3ccc4OCOc4c3	15
+c1cc(ccc1-c2c(-c3ccccc3F)oc4c2c(OC5CCCNC5)ncn4)OC	25
+C1C(CNCC1)Oc2nnc(-n3ccnc3)cc2	25
+C1(CCCCNC1)CO	25
+c1ccccc1CN2C(CNCC2)CCOC	25
+C1CCN(C1)C2C3N(C(Cc4cc(c(Cl)cc4)Cl)=O)CCNC3CCC2	25
+C1CC(CCN1c2ncncc2)C(N3CCN(CC3)Cc4ccccc4)=O	54
+c1cc(ccc1)CN2CCN(CC2)C(=O)Nc3nccc(Oc4cnc(cc4)N)c3	161
+c1cc(ccc1)CN2CCN(CC2)c3ccc(c(c3)C(O)=O)N	0
+C1CNCCN1c2nccc3c2cc(N(C)C)cc3	25
+C1CN(CCN1)c2ncccc2C(=O)OCC	25
+C1CN(CCN1c2c(CO)cccn2)Cc3ccccc3	351
+c1cc(ccc1)CN2CCNCCC2	215
+c1cc(ccc1Cl)-c2n(C)c3ccc(cc3c2CCC(=O)N4CCN(CC4)Cc5ccccc5)Cl	10
+c1cc(ccc1N2CCN(CC2)Cc3ccccc3)C#N	34
+C1CN(CCN1C(CNC(=O)c2ccc(cc2)Oc3ccccc3)=O)Cc4ccccc4	10
+C1CN(CCN1CC=2C(=O)N(CC(C)C)N=C(c3ccc(cc3)C)C=2)Cc4ccccc4	3909
+c1cc(ccc1F)NC(CCN2CCN(CC2)Cc3ccccc3)=O	1531
+c1cc(ccc1N2CCN(CC2)Cc3ccccc3)[N+]([O-])=O	34
+c1cc(ccc1)CN2CCOC(CCCN)C2	51
+c1cc(ccc1)CN2CC(CCO)OCC2	44
+c1cc(ccc1)CN2CCOC(COc3ccc(cc3)Br)C2	450
+c1cc(ccc1-c2ccnc(C)c2)OCC3CNCCO3	25
+c1(c2CNCc2ccc1)C#N	25
+c1cc(CO)cc2CNCc12	25
+c1cc(ccc1)CN2Cc3c(ccc(CO)c3)C2	98
+c1ccccc1CN2N=C(C(=CC2=O)C(N=[N+]=[N-])C)c3ccccc3	10779
+c1cc(ccc1)CN2N=C(C(=CC2=O)C(O)C)c3ccccc3	10780
+c1cc(ccc1)CN2N=CC(=C(C2=O)OC)c3ccc(cc3)C	10781
+C1CC1(NC(=O)c2nc(-c3cccnc3)c4N(Cc5ccccc5)C(C(=Cc4c2O)c6ccccc6)=O)C(=O)O	3
+c1cc(ccc1)CN2c3c(ccc(Cl)c3)OC(C(=O)O)C2	3
+c1cc(ccc1)CNC(=O)N2C(C(N3C(C(O)CCO)CCC3)=O)CCC2	44
+c1ccccc1CNC2(CC2)c3ccc(cc3)C#Cc4ccc(cc4)C(=O)OCC	129
+c1cc(ccc1)CNC2CCN(CC2O)CCN	51
+CCOC(C1COCCC1N)=O	273
+c1cc(ccc1)CNC2C=Cc3c(CC2)ccc(c3)N	0
+c1cc(ccc1)CNC2CCC(CC2)CN	102
+C1CC(CCC12COC2)N	273
+C1(CCCN(C(=O)OCC)CC1)N	273
+n1cccnc1NCCN2CC(O)C(CC2)NCc3ccccc3	96
+NC1CCc2ccc(OC)cc2C1	273
+c1cc(ccc1)CNC2C=Cc3c(ccc(c3)[N+]([O-])=O)CC2	1358
+c1cc(ccc1)CNC2CCc3c(cc(cc3)[N+]([O-])=O)C(O)C2	74
+c1cc(ccc1)CNCCCNc2cc(c(cc2N)C)C	0
+c1cc(ccc1)CNCCn2c3ncnc(N)c3c(n2)-c4cc(cc(O)c4)F	5
+c1cc(ccc1)CN(O)C(=O)c2nccc(N(C)Cc3ccccc3)c2	1006
+c1cc(F)c(N)cc1C2C(C2)C(OCC)=O	1197
+Nc1c(C(=O)OC)cnc(Cl)c1	1197
+c1ccccc1CNc2cc(Br)ccc2N	0
+c1ccccc1CNc2ccc(-c3oc4c(cccc4)n3)cc2N	0
+c1cc(ccc1)CNc2nc(C)c(C(CCC)C(=O)O)c(-c3ccc(cc3)C)n2	4
+CC(C)n1nc(-c2sc(Cl)cc2)c(-c3ccnc(N)n3)c1	10782
+c1cc(ccc1)CNc2nc3ccc(O)c(C(=O)O)c3nc2-c4ccccc4	5
+c1ccccc1COC(Nc2ncc(CCCC)cc2)=O	10783
+c1cccc2CC(Cc12)(C)NC(OCc3ccccc3)=O	3790
+c1ccccc1COC(c2ccc(cc2)CC(C)=O)=O	279
+c1cc(ccc1)COc2c3c(cnn2)cc(C)n3Cc4ccc(cc4)OC	10784
+c1cc(ccc1F)OCc2cc(ncc2)OCc3ccccc3	91
+c1cc(ccc1C(C(C)C)C(=O)OCc2ccccc2)[N+]([O-])=O	1699
+c1cc(ccc1)C2=CC(C(OCc3ccccc3)=O)=C4c5c(CN4C2=O)cccc5	10785
+c1ccccc1COc2ncc3nc([nH]c3n2)-c4c(cc(OCc5ccccc5)cc4)OC	482
+c1cc(ccc1)COc2ccnc(n2)Cl	145
+c1ccccc1COC(=O)C2C(CC(CN2)OC)C(OC)=O	3165
+N1C(=O)NC(=O)C12CC(C(=O)O)CC2	210
+c1ccccc1-n2nc(cc2OCC(N3CCCC3C(O)=O)=O)C(OCC)=O	210
+CCN1CC(CC1)C(=O)O	210
+c1c(C)c(c(cc1)C)NC(Nc2c(cc3ccccc3c2)C(N(CC(=O)O)CC4CCCCC4)=O)=O	210
+c1ccccc1CCN=C2NC(=C(C)N(C2=O)CC(=O)OCc3ccccc3)Cl	10786
+c12c(cccc1)C(=O)N(C2=O)CCCC(NC)CO	62
+c1cc(ccc1C)S(=O)(=O)OCCCN(C(OCc2ccccc2)=O)CC	36
+c1cc(ccc1)C2(C3C(CCCC3)NCC2)O	62
+c1cc(ccc1S(=O)(=O)OCC2CN(CC2=NOC)C(=O)OCc3ccccc3)C	36
+C1NCC(Nc2c(C(=O)N)cnn3c2cc(c3)Br)C1C	62
+c1cc(ccc1)COC(N2CCCC(C2)C(C)N)=O	18
+C1(C(OCCF)CNC1)Nc2c(nc(c(CC)n2)-c3ccc(OC)cc3Cl)CC	62
+c1cc(ccc1)COC(N2CC(C(N)C2)OC)=O	18
+c1cc(ccc1)COC(N2CC(C(N)C2)C)=O	18
+c1cc(ccc1)COC(=O)N2CC(F)C(C2)N	18
+C1CCCC(n2cc(-c3cc4c(cc3)n(cc4)CC5CNCC5)cn2)O1	62
+c1cc(ccc1I)-c2c(c(n(C3CCCN(C3)C(OCc4ccccc4)=O)n2)N)C#N	2356
+c1cc(ccc1F)-c2nc(oc2)C3CCCNC3	62
+c1cc(ccc1)COC(=O)N2CCCCC(C2)C=O	24
+COC1C(Nc2c(C(=O)N)cnn3c2cc(c3)Br)CNC1	62
+c1cc(ccc1)COC(=O)N2CC(Nc3nc(CC)cnc3CC)C(C2)O	464
+c1cc(ccc1S(=O)(=O)OC2C(CC)CN(C(=O)OCc3ccccc3)C2)C	36
+O1CCNCC1CCC#N	62
+CC(C)c1nc(c(cc1)-c2c(C)cc3c(c(C)cn3C4CNCC4OCCF)n2)OC	62
+c1ccccc1C2(CC3C(CNC3)C2)O	62
+c1cc(ccc1)COC(N2CCC(C(N)c3ncco3)C2)=O	18
+c1cc(ccc1S(=O)(=O)OCC2CN(CC2)C(=O)OCc3ccccc3)C	36
+C1CC(CCN1C(OCc2ccccc2)=O)c3ccccc3SC	564
+C1CNCCC1C2CC2CCO	62
+C1CNCCC1C2CC2CCOc3cc(F)c(CC(=O)N4CCC4)cc3	62
+c1cc(ccc1)COC(=O)N2CCC(CC2)CCCCCO	44
+c1cc(ccc1C)S(=O)(=O)OCCCCCC2CCN(CC2)C(=O)OCc3ccccc3	36
+C1CN(CCC1C=O)C(OCc2ccccc2)=O	24
+C1CNCCC12CC(c3c(O2)cccc3)=O	62
+c1cc(ccc1)COC(=O)N2CC(CCC2)c3occ(n3)-c4ccc(cc4)F	2435
+c1cc(ccc1)COC(N2CCCC(CN)C2)=O	18
+c1cc(ccc1)COC(N2CC(O)C(N)CCC2)=O	18
+c1ccccc1NCC2CN(C(OCc3ccccc3)=O)CCCC2	291
+C1CN(CCN1C(OCc2ccccc2)=O)CC3CN(CCC3)CCCc4ccc(cc4)S(=O)(=O)C	1306
+C1CNCCN1c2cc3c(n[nH]c3cc2)S(=O)(=O)c4c5c(ccc4)cccc5	62
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3nc(c4c(n3)cccc4)OC5CC(C=C5)O	10787
+C1COCCN1c2c3c(CCNCC3)nc4ccnn24	62
+C1OC(CCC1)ONC(c2cc3c(cc2)CNCC3)=O	62
+NC(CCCCCC(NC)=O)c1[nH]c(-c2c(nc3c(cccc3)c2)OC)cn1	102
+c1(c(nc2c(cccc2)c1)OC)-c3cnc(o3)C(CCCCCC(NC)=O)N	102
+c1cc(ccc1)CC(NC(=O)OCc2ccccc2)C=O	24
+c1cc(ccc1)COC(NC2CCCCC2C=O)=O	24
+c1ccccc1Cn2c3C(N(c4c(cccc4)-c3nc2C5CCCC(C5)N)C)=O	102
+c12c(cc(F)cc1)CCC(N(CC3CCCCC3N)C)C2	102
+C(OCC)(N1CCC(N)C(OCC)C1)=O	102
+c1cc(ccc1F)N2C(=O)c3ccccc3N=C2CNC(OCc4ccccc4)=O	10788
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(=O)Oc2ccc(cc2)[N+](=O)[O-]	2850
+c1cc(ccc1)COC(=O)Nc2c3ccccc3c(c([N+](=O)[O-])c2)CC(=O)O	3
+c1cc(ccc1)COC(=O)Nc2cc([N+]([O-])=O)c(CCO)c3c2cccc3	21
+c1cc(ccc1)COC(=O)Nc2cc3c(c4c(cnc(C(O)=O)c4[nH]3)-c5ccccc5F)cc2	6
+c1cc(ccc1)COC(c2c([nH]nc2C=O)C)=O	178
+c1cc(ccc1)-c2c(c3c(cc(OC)cc3)n2S(=O)(=O)c4ccccc4)Cc5nc(ccc5)C(O)=O	426
+c1c(C)c(OCC(=O)OCC)ccc1Oc2cc(C(=O)O)ccc2	426
+c1ccccc1COC(=O)c2n(ccc2)-c3cc(ccc3)C(O)=O	1
+c1cc(ccc1)COC(=O)c2cccc(Cc3c4c(n(S(=O)(=O)c5ccccc5)c3-c6ccccc6)cc(OC)cc4)n2	367
+CC(C)(CCOC(=O)CCCCCCCCC)C(O)=O	210
+c1ccccc1COC(C(CC(C)C)C(O)=O)C(OC)=O	2819
+CC(C)CC(NC(=O)C(C)NC(=O)C(C)NC(C)=O)C(=O)O	210
+c1ccccc1COC(C)C2=NNC(N2CCC)=O	2082
+C1CC(CCC1C(=O)OCc2ccccc2)C=COC	10789
+C1CC(CCC1C(=O)O)CC(=O)OCC	210
+c12c(cccc1Cl)c3CC(C(=O)O)CCc3n2CC(OCC)=O	210
+c12-c3ccccc3C(c1cccc2)(O)C(N4C(C(O)=O)CCC4)=O	210
+c1ccccc1COC(NC(Cn2ncc3ccc4c(cc(o4)C(=O)OCc5ccccc5)c23)C)=O	10790
+c1cc(ccc1)COC(=O)CC2(CCCC2)C(NC(c3nnn[nH]3)Cc4ccc(cc4)-c5cc(Cl)ccc5)=O	9
+C(COC)N(CCOC)CC(=O)O	210
+C1CN(CCN1c2ccc(cc2)Br)C(OCc3ccccc3)=O	66
+c1cc(ccc1)COC(N2CCC3(CC2)C(Nc4ccc(Cl)cc4C(c5ccc(cc5)Cl)=N3)=O)=O	66
+c1cc(ccc1CCNC(OCc2ccccc2)=O)N	101
+c1cc(ccc1C(=O)O)CNC(OCc2ccccc2)=O	101
+c1cc(ccc1CN2c3c(NC4C(CCC4)C2=O)cccc3)NC(=O)OCc5ccccc5	90
+O=S(=O)(c1ccc(cc1)NC(OCc2ccccc2)=O)N3CCC(CC3)NC(=O)C=C	90
+c1cc(ccc1N2CCN(CC2)C(OCc3ccccc3)=O)[N+]([O-])=O	66
+c1ccccc1COC(Nc2ccc(cc2)O)=O	90
+c1ccccc1COC(=O)NC(C(O)=O)Cc2ncn(CC=C)c2	544
+c1cc(ccc1)COC(=O)Nc2ccc(c(c2)F)-n3nc(cc3)-c4ccccn4	90
+n1cc(cnc1NCC2CCN(CC2)C(=O)OCc3ccccc3)-c4ccc(cc4)S(=O)(=O)C	66
+c1ccccc1COC(NC(Cn2c3c(cn2)ccc(O)c3)C)=O	101
+c1cc(ccc1F)C(c2cc(cnc2)CN3C(C(NC(=O)C(C)N(C)C(=O)OCc4ccccc4)=CC=C3Br)=O)=O	10791
+c1cc(ccc1)COC(N(Cc2c(-c3c(OC)ccc(c3)CC(OCC)=O)ccc(c2)N)CC)=O	0
+c1cc(ccc1)COC(=O)N2C(CCCC2CC=O)C(=O)OC	1156
+c1cc(ccc1)COC(=O)N2CC(=NOC)C(CO)C2	44
+N1CC(CC)C(Nc2c(C(=O)N)cnn3cc(-c4cnc(cc4)CNC(=O)COC)cc23)C1	62
+C1C(CN1)C(N2CCN(C3CCC3)CCC2)=O	62
+c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O	18
+c1(OC)n(c2nc(nc(N)c2n1)OC(CCC)C)CCC3CCCNC3	62
+c1cc(ccc1)COC(N2CC(C(C2)=NOC)CN)=O	18
+c1ccccc1COC(N2CCCC(NC(c3ccccn3)=O)C(O)C2)=O	81
+C(OC1CNCC1Nc2nc(cnc2CC)CC)C	62
+c1cc(ccc1)COC(N2CCOC(CNC(Nc3ccc(cc3)Cl)=O)C2)=O	282
+c1(C(N)C2CCNC2)ncco1	62
+C1CNCCC1n2ccc3c2cc(C(=O)N)cc3	62
+c1cc(ccc1)COC(N2CCC(CC2)n3c4c(cc3)ccc(C(O)=O)c4)=O	1
+C1CNCCC1n2ccc3c2cc(C(=O)NC)cc3	62
+c1cc(ccc1)COC(=O)N2CC(CC2)(F)CO	59
+C1CC(CCC1)N(CC(OC)=O)C2CCNC2	62
+c1cc(ccc1C2=NC3(CCNCC3)C(=O)Nc4ccc(cc24)Cl)Cl	62
+c1cc(ccc1)COC(N2CC(CCC2)CCCCn3c4nc(OCCCC)nc(c4nc3OC)N)=O	2658
+C1CNCCN1C(=O)C(CC(C)C)NC(c2cc3ccccc3s2)=O	62
+O=S(=O)(c1ccc(cc1)O)NCC(N2CCN(CC2)C(OCc3ccccc3)=O)C(OC)=O	71
+c1cc(ccc1)COC(N2CCOC(CCO)C2)=O	59
+C1(CNc2c(O1)cccc2)COCC=C	2931
+c1cc(ccc1)COC(NC(C)(C)C=2N(C)C(C(=C(N=2)C(=O)NCc3ccc(cc3)F)OC(=O)c4ccccc4)=O)=O	10792
+c1cc(ccc1F)CNC(C2=C(C(=O)N(C)C(C(C)(C)NC(=O)OCc3ccccc3)=N2)O)=O	10793
+c1(c(C2=NC(C)C(Nc3ccc([N+]([O-])=O)cc23)=O)cccc1)F	10794
+c1ccccc1COC(=O)NC2C(CC(=O)CC2)NC(OCc3ccccc3)=O	86
+o1c(nc(C(=O)OCCCC)c1CC)N2CC(OCCC)C(N)CC2	102
+c1cc(ccc1)COC(=O)NCC(Nc2c(C(=O)O)cccc2)=O	1
+C1(CN)CCN(c2nc(-c3ccccc3O)nc4ccc(cc24)F)C1	102
+c1cccc(-c2nc(c3c(n2)cc(C)cc3)N4CCCC(CN)C4)c1O	102
+c1cc(ccc1)COC(Nc2ccc(cc2)Oc3ccc(nc3)N)=O	161
+c1cc(ccc1)COC(Nc2ccc3c(c2)[nH]cc3C(c4ccccc4F)CN)=O	157
+c1(cc2c(c[nH]c2cc1)Cc3c(cc(C(=O)OC)cc3)OC)C(=O)O	426
+c1cc(ccc1)COCc2ccc(C)c(c2)OCc3ccccc3	49
+C1CC1n2nc3ccc(cc3c2C)N4C=CC(O)=CC4=O	923
+C1CC1c2nc3ccc(cc3n2C)N4C(=O)C=C(O)C=C4	923
+Cc1n(nc2ccc(N3C=CC(O)=CC3=O)cc12)C	923
+c1(cccc(F)c1)CN2C(=O)C=C(O)C=C2	923
+C1=CC(O)=CC(N1CCCC)=O	923
+C1CC1c2c(C)n3c(ccc(c3)N4C=CC(O)=CC4=O)n2	923
+C1CN(CCC1c2ccc(N3C(OC(C3)CN=Cc4ccccc4)=O)cc2F)C(COCc5ccccc5)=O	58
+c1cc(ccc1)COCC(C(=O)Nc2cc(cnc2Cl)Cl)Oc3c(F)c(C#N)c(F)cc3	274
+c1cc(ccc1)COCC(CO)c2c(cc(cc2)Br)C	21
+c1ccccc1COCC(C)(C)C(=O)N(c2ccccc2)CC(=O)OCC	10795
+c1cc(ccc1C)-n2nc(cc2N)C(C)(C)COCc3ccccc3	752
+FC(F)(CO)CCCOC	118
+c1cc(ccc1)COCC(Nc2c(ccc(OC)n2)[N+]([O-])=O)CO	70
+c1cc(ccc1)COCC(C(O)=O)Oc2c(c(C(=O)N)c(F)cc2)F	4
+OB(O)c1ccc(C(CF)CO)c(C)c1	118
+c1cc(ccc1)COCC2C(=C)CCCC2	2114
+c1ccccc1COCC2CNCCN2	10796
+C1C(CC1=O)COCc2ccccc2	2744
+c1cc(ccc1)COCC2CN(c3ccn(n3)C)C(C2)=O	4034
+C1C(CC1N2C(NC(C(F)=C2)=O)=O)CO	118
+c1ccccc1C2(C(C2)CO)CN(S(=O)(=O)c3ccccc3)C	118
+OCC1COCc2nc3c(N)nc4c(c3n12)cccc4	118
+OCC1COCc2nc3cnc4ccccc4c3n12	118
+c1cc(ccc1)COCC2COCc3nc4c(c5ccccc5nc4N)n23	445
+c1cc(ccc1)COc2c(OCc3ccccc3)ccc(-c4ccc(cc4)C(OCCOCc5ccccc5)=O)c2	1908
+c1cc(ccc1)COCCOC(C)COc2ccc(cc2)OC	176
+c1cc(ccc1)COCCCN2C(=O)C3(c4c(OC3)cc5OCOc5c4)c6ccccc26	20
+c12OCOc1cc3C4(C(N(c5c4cccc5)CCCO)=O)COc3c2	118
+c1cc(ccc1)COCCCN2c3ccccc3C(C2=O)c4c(O)cc5OCOc5c4	462
+C1CN(CCC1)c2nc(C#N)nc3N(CCO)CCNc23	118
+c1cc(ccc1)COCCOC(C)CO	10797
+C(OC(=O)CCOCCO)C	118
+c1ccccc1COCCOc2c(cc(OC)cc2)CNc3cc(F)ccc3Oc4ccccc4	208
+c1cc(ccc1)COCN2C(C(=C(N(C)C2=O)c3c(cc(cc3)O)C)C)=O	241
+c1ccccc1COc2c(C)ccc(CO)c2	118
+c1(c2cc(ccc2nc(n1)CO)OC)NCc3ccc4OCOc4c3	118
+C1CC1Oc2c(ccc(-c3[nH]c4c(c(O)nnc4)c3Cc5ccccc5F)c2)OC(F)F	10798
+c1cc(ccc1)COCn2cc(CCCC=O)c3nc(CCCC)nc(c23)N	24
+c1cc(ccc1)COCn2c3c(nc(CCCC)nc3c(CCCCO)c2)N	2065
+c1cc(ccc1)CON2CC=CCC(NS(=O)(=O)c3ccc(cc3)F)C2=O	1946
+c1ccccc1CON2c3c(cc(C(O)=O)cn3)C(=C(C(OCC)=O)C2=O)O	1
+c1cc(ccc1)CON2C(=O)N3C(CCC2C3)C=O	24
+c1cc(ccc1)CON2C(N3CC2CCC3C(=O)O)=O	4
+c1cc(ccc1)CON2C(N3CC2CCC3C(=O)O)=O	3
+c1cc(ccc1)CON2C3CCC(CO)N(C3)C2=O	44
+c1cc(ccc1)CON2CC(CCCCC=C)C2=O	10799
+CC1(C)CCC(CC1)Cc2cc(c(-c3ccccc3)c(O)n2)OCOP(=O)(O)OCc4ccccc4	4406
+c1cc(ccc1)COc2cc(c(Br)cc2C(O)=O)OCc3ccccc3	426
+c1cc(ccc1)COc2c(cccc2-c3ccccc3)C(c4cc(ccc4)-c5c(cccc5)OC)C	4273
+c1cc(ccc1)COc2c(C(c3cc(-c4c(OC)cccc4)ccc3)=C)cccc2-c5ccccc5	2855
+C1CCCN1c2nc(c(O)c(C)c2C)C	321
+c1ccccc1COc2c(C)c(C)c(nc2C)NCc3ccccc3	340
+C(CCCCCCCCCCNc1c(c(c(c(C)n1)O)C)C)CCCCC	321
+O(CC)C(c1cccc(C=2CCCCC=2c3cc(Cl)ccc3O)n1)=O	16
+O(C)c1c(c(c(OC)c(OC)c1OC)C)Cc2c(c(C(OC)=O)ccc2)O	16
+CC(C)c1[nH]nc(OC2C(C(C(C(O2)CO)O)OC(C)=O)O)c1Cc3c(OCc4ccccc4)cccc3	59
+c1cc(ccc1)COc2c(Cc3c([nH]nc3OC4C(OC(=O)C)C(OC(=O)C)C(O)C(CO)O4)C(C)C)cccc2	59
+c1cc(ccc1)COc2cc(C=O)ccc2Cc3ccc(cc3)CC	39
+c1cc(ccc1)COc2c(Cc3ccc(cc3)CC)ccc(CO)c2	59
+c1cc(ccc1)COc2c(cc(OC(c3ccccc3)=O)cc2C)Cl	1039
+c1ccccc1COc2c(nccc2)NC(N)=S	401
+c12nc(Cc3cc(c(cc3)O)OC)n4nc(nc4c1ccc(NCCCO)c2)N	16
+c1c(c(O)c(cc1)OC)CC(OC)=O	16
+C1CN(CCC1)CCOc2ccc(cc2)Oc3c4ccc(cc4ccc3O)OC	16
+c1c(Cl)c(ccc1Cl)Oc2cc(C#N)c(cc2O)Cl	16
+c1ccccc1COc2ccc3c(c2N)CCC4C5C(CCC34)(C(CC5)=O)C	0
+c1ccccc1COc2cc3CCC4C(c3cc2N)CCC5(C)C4CCC5=O	0
+c1ccccc1COc2c(CO)c(C)cc(C)n2	269
+c1cc(ccc1)COc2ccc(c(c2F)F)N	0
+c1cc(ccc1)COc2ccc(CO)c(F)c2F	49
+c1cc(ccc1)COc2c(cc(C(O)C)c(C)n2)C#N	652
+c1c(O)c(cc(c1-c2c3c(sc(C#N)c3)nc(N)n2)Cl)Cl	16
+c1cc(ccc1)COc2c(cc(Cl)c(-c3nc(N)nc4sc(C#N)cc34)c2)Cl	4965
+c1c(O)c(cc(c1-c2c3c(sc(C(NCC)=O)c3)nc(N)n2)Cl)Cl	16
+c1cc(ccc1)C(Oc2cc(c(O)c(c2)C)Cl)=O	16
+c1cc(ccc1)COc2cc(F)c(F)cc2N	0
+c1c2c(c(cnc2cc3c1cc(c(c3)O)OC)C#N)O	16
+c1ccccc1COc2c(OCc3ccccc3)ccc(C=4Oc5ccccc5C(=O)C=4OCc6ccccc6)c2	3603
+C1CNCCC1c2ccc(cc2OCc3ccccc3)OCc4ccccc4	215
+c1cc(ccc1)COc2c(ccc(c2)CC)Oc3ccc(O)cc3F	173
+c1cc(ccc1)COc2c3CCNCc3ccc2OC	162
+c1cc(ccc1Cc2c(OCc3ccccc3)cccc2)Br	452
+c1cc(ccc1)COc2c(Cc3c(n[nH]c3C(C)C)OC4C(C(OC(=O)C)C(C(O4)CO)OC(=O)C)OC(C)=O)cccc2	59
+c1cc(ccc1)COc2c(C(c3cc(ccc3)-c4c(cccc4)OC)(C)O)cccc2-c5ccccc5	2157
+c1ccccc1-c2c(O)c(C(C)c3cccc(-c4c(OC)cccc4)c3)ccc2	16
+O(C)c1c(c(c(OC)c(OC)c1OC)C)Cc2c(c(ccc2)C(=O)O)O	16
+c1cc(ccc1)COc2c(C(=O)O)cccc2CC=3C(C(OC)=C(OC)C(C=3C)=O)=O	1450
+c1ccccc1COc2c(CO)cccc2C	98
+c1cc(ccc1)COc2nn(C)cc2CO	536
+c1ccccc1COc2cccnc2Nc3nc(cs3)CCN	45
+c1cc(ccc1)COc2c3CCC(=Cc3ccc2)CO	10800
+c1cc(ccc1)COc2c3CCC(=Cc3ccc2)C(=O)OC	10801
+c1cc2CNCCc2c(O)c1OC	16
+c12ccc(cc1c(O)c(c(CC(OC)=O)c2)C)F	16
+S(C)c1cc(ccc1Cl)Nc2c3c(n(C4C(C#N)CCOC4)n2)ccnc3O	700
+Clc1cccc(c1)-c2onc(C(C)Oc3n(c(-c4cc(ncc4)O)nn3)C)c2	700
+c1cc(ccc1)COc2c(OCc3ccccc3)ccc(-c4ccc(cc4)C(=O)O)c2	11
+c1cc(ccc1)COc2cc(C(=O)O)cc(OC)c2Br	1
+C1(CCOC1)Oc2cc(cc(O)c2)C(=O)OC	16
+c1cc(ccc1)COc2cc(cc(c2)C(O)=O)OC3CCOC3	1
+c1cc(ccc1)COc2cc(COC3CCCCO3)nc(C(=O)O)c2	6
+Cc1nn2C(=O)CC(C)=Cc2c1C(=O)OCC	10802
+Clc1cc(cc(c1)CC(OC)=O)O	16
+c1cc(ccc1)COc2cccc(c2)CCCN	15
+c1c(cccc1CCCn2nncc2)O	16
+C1CC(CCO1)(c2cc(F)cc(O)c2)C(OCC)=O	16
+C1COCCC1(c2cc(OCc3ccccc3)cc(F)c2)CO	44
+c1cc(ccc1)COc2cc(cc(F)c2)C(CO)(CC)O	95
+c1cc(ccc1)COc2cc(cc(C(=O)Nc3nn(C)cc3)c2)OC(C)COC	650
+c1cc(ccc1)COc2cc(cc(c2)OC(C)COC)C(=O)Nc3nn(cc3)CC	650
+c1cc(ccc1)COc2cc(cc(c2)OC(C)COC)C(=O)Nc3cnc(cn3)C	1351
+C(OC)C(Oc1cc(cc(O)c1)C(=O)OC)C	16
+c1cc(ccc1)COc2cc(OC(C)COC)cc(C(O)=O)c2	1
+c12oc(cc1c(cc(OC)c2)O)-c3cn4nc(sc4n3)OC	16
+C1(CCOC1)Oc2cc(C(Nc3ncc(C)nc3)=O)cc(O)c2	16
+c1cc(ccc1)COc2cc(cc(C(O)=O)c2)OCCCCCCCCCCCCCCCCCC	1
+c1cc(ccc1-c2oc(C)nn2)Oc3cc(cc(c3)O)C(=O)OC	16
+c1cc(ccc1)COc2cc(N)cc(Br)c2	0
+c1(Cl)c(Cl)c(OC)cc(O)c1	16
+C(=O)(OCC)c1sc2c(c(-c3cc(O)c(cc3Cl)Cl)nc(N)n2)c1	16
+c1cc(ccc1Oc2c(C(C)=O)c(OCc3ccccc3)cc(OCc4ccccc4)c2)[N+]([O-])=O	46
+C(OC)C(Oc1cc(C(Nc2ccn(C)n2)=O)cc(O)c1)C	16
+c1cc(ccc1)COc2cc(cc(OCc3ccccc3)c2)C4=CC(=O)c5c(cc(O)cc5)O4	3166
+c1cc(ccc1)COc2c(c(Oc3ccc(cc3)[N+]([O-])=O)cc(c2)OCc4ccccc4)-c5cc(C(=O)O)no5	6
+c1ccccc1COc2c3c([nH]c(c3)C(OCC)=O)cc(c2)C	3056
+c1cc(ccc1)COc2cc(OC3CCOC3)cc(c2)C(Nc4cnc(cn4)C)=O	1351
+c1ccccc1-c2cc(cc(c2)OCc3ccccc3)CC(O)=O	3
+C(OC)C(Oc1cc(C(Nc2ncc(C)nc2)=O)cc(O)c1)C	16
+c1n(nc(c1)NC(=O)c2cc(OC(COC)C)cc(c2)O)CC	16
+c1cc(ccc1)COc2cc(-c3ncc(C)o3)cc(OC)c2Br	2996
+c1cc(ccc1)COc2cc(C(=O)O)cc3cc(ccc23)C#N	6
+c1cc(ccc1)-c2c(ncc(N(CCc3cccc(OCc4ccccc4)c3)C)n2)-c5ccccc5	317
+c1cc(ccc1Cc2ccc(cc2O)CC(N)=O)CC	16
+C1CC(CCN1C=O)N2c3c(C(=O)N(Cc4ccc(OC)c(c4)OC)C2=O)cc(O)cc3	16
+CN(C)c1c(O)cc2c(C3CCC4(C(CCC4=O)C3CC2)C)c1	16
+C(C)OC(c1n(c2c(c(Cl)cc(c2)O)c1)C)=O	16
+c1cc(ccc1)COc2cc(c3c(c2)nc(O)cc3)C4CO4	5020
+c1cc(ccc1Oc2c3c(ncc2)cc(O)cc3)[N+]([O-])=O	16
+c1ccccc1COc2c(F)ccc3c2ccn3-c4ccc(c(F)c4)OCc5ccccc5	3005
+C1CC1(c2ccc(c(O)c2)OCc3ccccc3)C#N	16
+c1cc(ccc1)COc2ccc(C=CC(O)=O)cc2OC	108
+c1cc(ccc1C)CNC(C=Cc2cc(OC)c(cc2)OCc3ccccc3)=O	771
+c1ccccc1CNC(=O)c2c(C)nc(N3C=C(C=CC3=O)OCc4ccccc4)s2	10803
+c1cc(ccc1)COc2nc(N)c(cc2)N	13
+c1(nc(ccc1F)C(OC)=O)-c2c(ccc(O)c2F)F	16
+c1(ccc(c(F)c1F)O)N	16
+c1cc(ccc1)COc2nc(c3c(c4ccc(OC)cc4[nH]3)c2)C	10804
+c1cc(ccc1)COc2ccc(cc2)C3N(C(=O)C3CCC(c4ccc(cc4)F)O)c5ccc(cc5)F	74
+c1cc(ccc1N2C(c3ccc(cc3)O)C(CCC(c4ccc(cc4)F)O)C2=O)F	16
+c1cc(ccc1)COc2ccc(cc2)CC(CCC(O)=O)NC(CCCCCCc3ccccc3)=O	4
+c1cc(ccc1O)CC(C)(CCCc2ccccc2)C(=O)OCC	16
+c1cc(ccc1)COc2cc(O)c(OCc3ccccc3)cc2	173
+c1cc(ccc1)COc2ccc3c(ccc(c3)Cn4cc(c(-c5ccccc5)c4)C=O)c2	200
+c1cc(ccc1)COc2c(c(-c3scc(C(O)=O)n3)ccc2)OCc4ccccc4	6
+Nc1nc2c(CCN(CC=Cc3cccc(O)c3)CC2)s1	16
+O=C1N(c2c(cc(Oc3cccc(c3)O)c(N)c2)N1C)C	16
+c1(cccc(O)c1)Oc2cc3B(O)OCc3cc2	16
+C1C(CC(=O)N1c2cccc(C(=O)N)c2)c3cccc(O)c3	16
+c1cc(ccc1)COc2cc(ccc2)CCNC	695
+c1cc(ccc1)COc2c3CCC(C(OC)=O)C(O)c3ccc2	2261
+c1cc(ccc1N(C(=O)C2c3c(c(OCc4ccccc4)ccc3)CCC2)Cc5cnc(OC)cc5)C(C)C	429
+O=S(=O)(n1c2cccc(c2cc1)O)c3ccccc3F	16
+c1cc(ccc1)COc2c(cccc2)C(O)c3ccc(cc3)Br	257
+c1cc(ccc1SC)C(c2c(OCc3ccccc3)cccc2)O	257
+c1cc(ccc1)COc2ccccc2OCCO	168
+c1ccccc1COc2ccncc2O	2942
+c1cc(ccc1)COc2nc(NC(C)(C)c3ccccc3)nc(Cl)n2	387
+CC1(C)COC(CO1)CNc2c(ccc(O)n2)F	700
+Cc1nc(cc2c3ccc(OC)cc3[nH]c12)O	700
+c1ccccc1COc2c(CO)c(cc(C)n2)OC	351
+Clc1cccc(Cl)c1-n2c3c(nc2)ccc(n3)O	700
+c1nc(O)ccc1OCOC	700
+Clc1ccc(c(Cl)c1)-c2c(c(ncc2)O)[N+]([O-])=O	700
+c1cc(ccc1Nc2c3c(nccc3n(C(CC#N)C)n2)OCc4ccccc4)S(=O)(=O)N(C)C	781
+c1ccccc1COc2nn(C)cc2C=O	576
+c1cc(ccc1)Cn2nc(c(c2)CO)OCc3ccccc3	536
+O=S(=O)(c1ccc(cc1)C)C[N+]#CCc2c(nn(Cc3ccccc3)c2)OCc4ccccc4	5067
+c1cc(ccc1)COc2c(CC#N)cn(C)n2	881
+c1ccccc1CSC(C)(CN)CCO	157
+c1cc(ccc1)CSC2(CCOCC2)CN	157
+c1cc(ccc1)CSCc2cc(Cl)ccc2Oc3cc(CC(O)=O)ccc3OC	3
+c1cc(ccc1)CSc2c(cc3N(c4cc(c(Br)cc4OC)Cl)C(=O)C=Cc3c2)F	10805
+c1cc(ccc1Cc2ccccc2)-c3nn(C4CN(CCC4)C(OCc5ccccc5)=O)c(c3C#N)N	2300
+c1cc(ccc1)Cc2cc3cc(ccc3nc2Oc4ccc(F)cc4C(C)=O)N	0
+c1cc(ccc1)Cc2cn(CCNO)c3c2cccc3	2498
+c1cc(ccc1)Cc2c(-c3ccccc3)n(C)c4ccc(-c5ccc(cc5)O)cc24	5
+c1cc(ccc1)Cc2c3cc(-c4ccc(cc4)O)ccc3n(C)c2C	5
+c1cc(ccc1)Cc2c3cc(ccc3n(C)c2C)-c4ccc(cc4)OCC(=O)O	4
+c1cc(ccc1)Cc2cccc(c2)CN	162
+c1cc(ccc1)Cc2cc3c([nH]cc3CC[N+](=O)[O-])cc2	3068
+c1cc(ccc1)Cc2ccc3c(c(c[nH]3)CCN)c2	157
+c1cc(ccc1)Cc2cc3c(oc(-c4ccc(C(=O)C)cc4F)c3)cc2	155
+c1ccccc1Cc2cc3c(ccc(-n4cc(-c5ccccc5)nn4)c3)nc2Oc6c(C(=O)C)cc(cc6)F	2274
+c1cc(ccc1O)-c2ccc(C)n2CCCOc3ccc(cc3)Cc4ccccc4	16
+c1cc(ccc1)Cc2c3c(cccc3)n(CC=O)c2	59
+c1cc(ccc1)Cc2cnc(nc2)N3CCN(CC3)c4nc(ncn4)Nc5cnn(c5)CC(CO)O	265
+c1cc(ccc1)Cc2c(nc(C=C)c(-c3ccc(cc3C=C)OC)n2)N	4930
+c1cc(ccc1)Cc2onc(CCC=O)n2	598
+c1cc(ccc1)Cc2onc(CCCO)n2	237
+c1ccccc1Cc2nc(no2)CCCN3C(N(c4c(n(CC=C)c(Cl)n4)C3=O)CCCC)=O	10806
+c1cc(ccc1)Cn2cc(C)c(-c3ccc(cc3)Cl)c2C(O)=O	6
+c1cc(ccc1)CCC(c2ccccc2)c3n(Cc4ccccc4)cnc3	10807
+c1cc(ccc1)Cn2nc(C#N)cc2C	331
+c1cc(ccc1)Cn2nc(cc2CO)OCCC	398
+c1cc(ccc1)Cn2c(CCCO)cc(OCCC)n2	44
+c1cc(ccc1)Cn2c3C(N(C(=O)N(c3nc2CCl)C)CCCCC(O)C)=O	59
+c1cc(ccc1)Cn2c3cc(ccc3c(c2)C(C(=O)O)=O)-c4cccc(Cl)c4	2249
+c1cc(ccc1)Cn2c3c(c(OCC(OCC)=O)ccn3)cc2C	10808
+c1cc(ccc1)Cn2ccc3c(cccc23)CC4SC(NC4=O)=O	534
+c1ccccc1Cn2c3c(c4c2cccc4O)cccc3F	2302
+c1ccccc1Cn2c3cccc(C(=O)OC)c3c4c(cccc24)O	2302
+c1cc(ccc1)Cn2c(cc3c(O)ccnc23)C	5
+c1(cc(cc(C)c1Oc2c3c(cc[nH]3)nc(Nc4ccc(cc4)C#N)n2)C(C)=O)C	10809
+c1ccccc1Cn2c3C(=O)N(CCCCC(O)C)C(=O)N(c3nc2CN)C	18
+c1ccccc1Cn2c3ccc(cc3c4c2cccc4O)C	2302
+c1cc(ccc1)Cn2c3c(c(c4CCCCc4c3)O)c5c(C(OC)=O)cccc25	5
+c1cc(ccc1)Cn2cc(c(n2)OCc3ccc(c(OCc4nc(oc4C)-c5ccco5)c3)OC)CO	536
+n1n[nH]cc1CCCC(=O)O	3898
+c1cc(ccc1)Cn2cc(C=O)c(n2)OCc3ccc(c(OCc4nc(oc4C)-c5ccco5)c3)OC	576
+c1cc(ccc1)Cn2c3c(nc(nc3cc2)Nc4ccc(cc4)C#N)Oc5c(C)cc(cc5C)C(C)=O	744
+C1(N(C(=O)c2nc[nH]c2N1CCCC)CC)=O	2152
+c1cc(ccc1)Cn2c3ncccc3c(C(O)=O)n2	6
+c1cc(ccc1)Cn2cc(c([N+]([O-])=O)n2)CO	536
+c1cc(ccc1)COc2nn(Cc3ccccc3)cc2C=O	576
+c1ccccc1Cn2nc(cc2C=O)OCCC	178
+c1cc(ccc1)Cn2ncc(C(=O)Nc3cn(S(=O)(=O)c4ccc(cc4)C)c5ncc(cc35)Br)c2	276
+c1cc(ccc1)-c2nc3n(ccc(c3)NC(c4c(cnn4Cc5ccccc5)C(=O)OCC)=O)n2	187
+c1cc(ccc1[N+]([O-])=O)C(=O)c2ccc(cc2)F	222
+c1cc(ccc1CC(=O)c2ccc(cc2)F)SC	94
+c1cc(ccc1CO)Oc2ccccc2	754
+c1cc(ccc1)NC(=O)Nc2c(cc(c(C=3C(=O)N(c4c(cnc(NC(CC#N)=O)c4)C=3)CC)c2)F)F	446
+c1cc(ccc1)-c2ncc(c(-c3ccccc3Cl)n2)NC(Nc4ccccc4)=O	10810
+c1cc(ccc1)NC(=O)c2c(ncc(-c3ccc(cc3)S(=O)(=O)C)n2)N	466
+c1cc(ccc1C(Nc2ccccc2)=O)OCCCCCCCCCCCCCC	50
+c1cc(ccc1)Nc2ccc(cc2)C(=O)O	230
+c1cc(ccc1CNc2ccccc2)-c3ccccc3C(=O)OC	208
+c1cc(ccc1)Nc2nc3c(cccc3)c4c2nn(Cc5ccc(cc5)OC)c4	10811
+c1cc(ccc1)Nc2ncc(c(Cl)n2)CC(C(=O)OC)c3ccc(cc3)OC	55
+c1ccccc1COC(NCCCCc2ccc(cc2)OCC(Nc3ccccc3)=O)=O	33
+c1ccccc1Nc2cccc(-c3ccccc3)c2C#N	275
+c1ccccc1Nc2cc(NC(=O)c3ccccc3)c(cc2)C(=O)OC	230
+c1ccccc1CCC(C(NC(CC(C)C)C(Nc2ccccc2)=O)=O)CSC(C)=O	33
+c1cc(ccc1)NC2CN(Cc3ccccc3)CCC2	231
+c1cc(ccc1)NCC2CC(C)C(NCc3ccccc3)CC2	4704
+c1cc(ccc1)Nc2cnc(-c3ccc(c(c3)F)OCc4ccccc4)cc2	1674
+c1ccccc1Nc2c3ncn(C)c3nc(Cl)n2	1185
+c1nc(ncc1C(=O)OCC)Nc2ccccc2	1334
+c1ccccc1Nc2c3n(ccn3)cc(n2)Br	1638
+c1ccccc1Nc2nc(nc(n2)Cl)-c3ccccc3	360
+c1ccccc1NCc2c3c(cccc3)nc(O)c2	608
+c1cc(ccc1)Nc2nccc(-c3c(nn4ccccc34)-c5cc([N+]([O-])=O)ccc5)n2	2607
+c1ccccc1Nc2nc(CCl)nc3ccccc23	73
+c1ccccc1Nc2c3ccc(Cl)nc3ncn2	1665
+c1cc(ccc1)N(CCOc2ccc(cc2)O)C(C)C	72
+c1cc(ccc1C(=O)Nc2ccc(cc2)OC(=O)N(C)c3ccccc3)CCl	50
+c1cc(ccc1)N(C)S(=O)(=O)c2cc(c(cc2)Cl)N	0
+c12ccccc1cc3c(cc4ccccc4c3C=O)c2	2224
+c1ccccc1C(c2ccc(cc2)COCCN(CC)c3ccccc3)=O	149
+c1ccccc1NCCC2OC2	4955
+c1cc(ccc1)N(Cc2ccc3cc(CC4SC(=O)NC4=O)cnc3c2)C	10812
+c1cc(ccc1)N(Cc2cc3c(cc(cn3)C=O)cc2)C	200
+c1cc(ccc1)Nc2c3nccn3nc(c2)-c4cc5c(noc5cc4)N	10813
+c1cc(ccc1)N(c2ccccc2)C(=O)OCc3cccc(OCC(O)=O)c3Cl	4
+c1cc(ccc1)N(c2ccccc2)C(CNC(=O)Nc3cccc(O)c3)=O	5
+c1cc(ccc1)N(c2ccccc2)c3cc4c(cc3)[nH]c5ccccc45	10814
+c1cc(ccc1)N(c2ccccc2)c3ccc(cc3)C=Cc4ccc(cc4)C=Cc5ccc(cc5)N	106
+c1cc(ccc1)N2C(=O)C(=C3COCCN23)C(=O)Nc4cc(c(cc4)Oc5ccnc(N)c5)F	1779
+c1cc(ccc1)N2CCC(CN)CC2=O	18
+c1cc(ccc1)N2C(=O)NCc3nc(ccc23)F	5068
+c1cc(ccc1)CN2C(=O)N(c3ccccc3)c4ccc(nc4C2)F	1083
+c1cc(ccc1)N2C(C(C(O)=O)=C3N2CCOC3)=O	108
+c1cc(ccc1)N2C(C(Nc3ncnc(N)c3C(Nc4cc(ccc4O)C(=O)N)=O)C)=Nn5ccc(c5C2=O)C	5
+c1cc(ccc1)N2CCC(CC2=O)COCC	21
+c1cc(ccc1)N2C(=O)N(CC2)C3CCNCC3	25
+c1ccccc1N2C(c3cc(OC)ccc3)C(CO)CC2=O	95
+c1cc(ccc1)N2CCN3C2=NC=C(c4cc(F)c(OCc5ccccc5)cc4)C3=O	3818
+c1ccccc1N2C=C(C(c3ccc(cc23)Cl)=O)CN	1426
+c1cc(ccc1)N2CC3(CCC(CC3)C(=O)O)CC2=O	3
+c1cc(ccc1)N2C(=O)CC(CC2)CO	665
+c1cc(ccc1)N2CCN(CC2)C(NCCCC=O)=O	598
+c1ccccc1N2CCN3C(=O)C(=CN=C23)c4cc(c(O)cc4)F	16
+c1cc(ccc1)N2N3CCCC3=C(C2=O)C(=O)Nc4ccc(cn4)Oc5ccnc(N)c5	1779
+c1cc(ccc1NC(=O)Nc2ccccc2)-c3c(c(cc4ccc(Cl)cc34)CC(=O)OC)C	124
+c1cc(ccc1CCNc2c3ccc(OCCCCl)cc3ncn2)NC(Nc4ccccc4)=O	124
+c1ccccc1NC(=O)Nc2ccc(cc2)Oc3cc(ncn3)Cl	124
+c1ccccc1NC(=O)Nc2ccc(cc2)Oc3cc(N)ncn3	124
+c1ccccc1NC(Nc2ccc(cc2)CO)=O	10815
+c1cnccc1CCc2c[nH]c3c2cc(NC(=O)Nc4ccccc4)cc3	124
+c1ccccc1NC(=O)Nc2cc(-c3c(c(N)sn3)C(=O)N)ccc2	124
+c1ccccc1NC(=S)Nc2c([nH]c3c2cccc3)C(OCC)=O	4721
+c1ccccc1CN2C3(CCN(CC3)C(=S)Nc4ccccc4)NC(Cc5ccccc5)C2=O	1366
+c1cc(ccc1)NC(N2Cc3cc(OCC4CCN(CC4)c5ccncc5)ccc3CC2)=S	1366
+c1cc(ccc1F)-c2nc3sc(C(N(c4ccccc4)C)=O)c(C)n3c2	3227
+n1c(cc(c2ccccc12)CBr)O	10816
+c1cc(ccc1)N2CCC(N3CCc4c3ccc(F)c4Cl)C2=O	10817
+c1cc(ccc1F)-c2cnn3c2CN(C(=O)Nc4ccccc4)CC3	10818
+c1cc(ccc1)NC(NC(CCCCNC2CC2c3ccc(cc3)F)C(=O)N4CCCCC4)=O	285
+c1cc(ccc1-c2nc(C(=O)Nc3ccccc3)c(nc2)N)C(O)=O	356
+c1cc(ccc1)NC(n2ccc3cc(ccc23)N)=O	0
+c1cc(ccc1F)-n2c(N)c(C(c3cccc([N+]([O-])=O)c3)=O)cn2	10819
+c1ccccc1Nc2c3ncn(C)c3nc(Cl)n2	1545
+c1ccccc1NCC2CCC(C(C2)C)N	273
+c1cc(ccc1)N(C(C2=C3N(C(C(c4ccc(cc4)OCc5ccccc5)=C2)=O)C=Cc6ccsc36)=O)CCOC	5069
+c1cc(ccc1)N(CCOC)C(=O)C=2C=C(C(N3C=Cc4n(cnc4C=23)C)=O)c5ccc(cc5)OCc6ccccc6	5069
+c1cc(ccc1)N2N=C(CC2=O)c3ccc(cc3)OC	10820
+c1cc(ccc1)Nc2cc(NC(=O)NCC)ncc2C(O)=O	6
+c1cc(ccc1)Nc2c(c(N)c(cc2C(OC)=O)N)F	0
+c1cc(ccc1)Nc2c(Cl)c(c(N)cc2C(OC)=O)N	0
+c1cc(ccc1)Nc2cc(nc(N)n2)-c3cc4c(c(N)n[nH]4)cc3	10821
+c1(C(=O)O)ccc2c(Nc3ccccc3C2=O)c1	358
+c1ccccc1Nc2c(C(Nc3ccccc3Cl)=O)cnc(c2)NC(NCC)=O	246
+c1cc(ccc1)Nc2ccc(cc2)C(NCC(O)=O)=O	3
+c1cc(ccc1)Oc2cccc(Nc3ccccc3)c2C#N	46
+c1ccccc1Nc2ccccc2S	10822
+c1ccccc1Nc2cnc(-c3cc(F)c(cc3)O)cc2	16
+c1ccccc1Nc2c(Cl)cnc(Nc3ccc(cc3)C(=O)O)n2	55
+c1cc(ccc1OCC(CNC(C)C)O)Nc2nc(c(Cl)cn2)Nc3ccccc3	55
+c1ccccc1Nc2c3c(c4c(cccc4)n2)c[nH]n3	10823
+c1cc(ccc1)Nc2nc(c(cn2)Cl)C(=O)O	1
+c1cc(ccc1)Nc2nc3c(cn2)CC(C(N3CC4CC4)=O)c5ccc(cc5)OC	10824
+c1cc(ccc1)Nc2nc(-c3c(nn4ccccc34)-c5cc(N)ccc5)ccn2	0
+c1cc(ccc1)Nc2nc(ccn2)O	104
+c1cc(ccc1)Oc2ccc(cc2)-c3nc(CCOCc4ccccc4)c(C)o3	304
+C1CC2(CCN1CCC(c3ccccc3)Oc4ccccc4)CCN(Cc5ccc(cc5)Br)C2=O	20
+c1ccccc1Oc2ccc(cc2)CCC(S(=O)(=O)C)(C(=O)OCC)C	472
+c1ccccc1OCC(n2c3cc(F)c(cc3nc2-c4ccc(cc4)Cl)F)C5CCCCC5	20
+c1ccccc1Oc2ccc(cc2C(=O)OC)C(c3ccc(cn3)Br)=O	46
+c1ccccc1Oc2nc(OCc3c(cccc3N4C(N(N=N4)C)=O)C)ccc2	1237
+c1cccc2c1c(c3ccccc3c2Oc4ccccc4)-c5c6c(cccc6)c(C)cc5	304
+c1ccccc1Oc2nc(c(c(C)n2)C(NCCCc3ccccc3)=O)-c4cc(Cl)cc(Cl)c4	2914
+c1cc(ccc1)CN2CCC(CC2)CCNc3c(C)c(nc(c3[N+]([O-])=O)Oc4ccccc4)C	136
+c1ccccc1CN2CCn3nc(cc3C2)COc4ccccc4	20
+c1cc(ccc1)OCc2cnc(OC)cc2	20
+c1ccccc1OCc2nc3n(c2)nc(cn3)-c4c(F)cc(F)cc4	2303
+c1cc(ccc1C(=O)c2ccc(cc2)OC)Br	222
+c1cc(ccc1C(c2ccc(cc2)[N+]([O-])=O)=O)OC	222
+c1cc(ccc1C(Cc2ccc(cc2)Cl)=O)OC	214
+c1cc(ccc1NC(Nc2c(cc(Cl)c3ccc(OC(=O)C)cc23)Cl)=O)CCC	446
+c1cc(ccc1F)CC2CN(CCC2)C3CCC4CN(CC34)C(=O)Nc5cc(-c6n(nnn6)C)cc(CC)c5	437
+c1cc(ccc1F)CCN2CCC(C)C(CNC(Nc3cc(CC)cc(-c4n(nnn4)C)c3)=O)C2	238
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	238
+c1cc(ccc1-c2nnnn2C)NC(=O)NCCCN3CC(CCC3)Cc4ccc(cc4)F	238
+c1cc(ccc1F)-n2ncc3cc(C(C)(C)C(C)(C)CNC(Nc4nccs4)=O)ccc23	238
+c1cc(ccc1)OC(N(CCN2CCCc3c2ccc(N)c3)C)=O	0
+c1cc(ccc1)OC(N2C3C4CCOCC4(c5cc(ccc5C3)O)CC2)=O	173
+C12C3NCCC1(COCC2)c4c(ccc(OCC)c4)C3	10825
+c1ccccc1C2(CCC2)NC(=NC#N)Nc3cc(c(Cl)nc3)N	10826
+c1cc(ccc1NC(=O)Nc2cc(C)no2)Oc3c4cc(c(OCCOC)cc4ncc3)C#N	446
+c1cc(ccc1Cl)CC2CN(C2)CCCNC(=O)Nc3nnc(CC)s3	238
+c1cc(ccc1Cl)SC2CN(C2)CCC(CO)NC(=O)Nc3sc(nn3)CC	238
+c1cc(ccc1)OC(c2ccc(nn2)C(=O)O)C	1
+c1cc(ccc1NC(c2oc3c(cccc3)c2C)COc4ccccc4)C(OC)=O	5070
+c1cc(ccc1)OCC(Nc2ccc(cc2)C(NCCC(O)=O)=O)c3oc4c(cccc4)c3C	3
+c1ccccc1OCc2[nH]c3ccccc3n2	442
+c1cc(ccc1OC)C(=O)c2ccc(cc2)OCCCl	222
+c1ccccc1OCCNc2c3c(cccc3)ncc2[N+](=O)[O-]	105
+c1cc(ccc1)OCCN(c2c(nc(s2)-c3ccc4OCCNc4c3)C(OCC)=O)C	621
+c1ccccc1OCCN(c2sc(nc2C(OCC)=O)-c3ccc4OCCN(C(=O)Nc5nc6c(cccc6)s5)c4c3)C	2143
+c1cc(ccc1F)C(N2CCn3nc(COc4ccccc4)cc3C2)=O	115
+c1ccccc1OCc2oc(c(CCO)n2)C(OCC)=O	118
+c1cc(ccc1)Oc2cccc(c2CN)N	107
+c1cc(ccc1)Oc2ccc(cc2C(=O)O)C(=O)c3ncc(cc3)N(C)c4ccc(cc4)Cl	1
+c1cc(ccc1)Oc2cccc(c2NC(=O)C)CC(O)=O	3
+c1ccccc1Oc2c(c(NCCOC(=O)C)c(C)c(C)n2)N	13
+c1ccccc1Oc2nc(C)c(C)c(NCCOCCCc3cnccc3)c2N	13
+c1ccccc1Oc2nc(C)c(C)c(NCCOCCCc3sccn3)c2N	13
+c1ccccc1Oc2nc(C)c(c(c2N)NCCCCCCl)C	13
+c1cc(ccc1)Oc2c(cc(F)cc2)N(C(=O)C)Cc3c(ccc(OC)c3)OCCO	168
+c1cc(ccc1)Oc2c(cc(c(C(C)=O)c2)O)NS(=O)(=O)C	5
+c1ccccc1Oc2nc(c(C)c3c2nc(C)n3CCCCCSc4ccccc4)C	1107
+c1cc(ccc1)Oc2c3c(ccc2)c(OC)c(nc3C#N)C(NCC(O)=O)=O	4
+c1cc(ccc1)Oc2c3c(c(OC)c(nc3C#N)C(O)=O)ccc2	1
+c1ccccc1Oc2cccc3c2ccc(n3)C	2207
+c1c(OC)ccc2c1nccc2O	10827
+c1cc(ccc1)Oc2c3nc(n(CCO)c3c(C)c(n2)C)C	59
+c1ccccc1Oc2cnc(cc2)CO	813
+c1cc(ccc1)Oc2cc(Br)cnc2Nc3nc(cs3)CCC(=O)O	4
+c1cc(ccc1)Oc2cc(Br)cnc2Nc3scc(n3)CCc4oc(C)nn4	1037
+c1cc(ccc1)Oc2c(cc(c(c2)C)N)C3=CN(C)C(=O)C=C3	0
+c1ccccc1Oc2c3CCCC(=O)c3nc(C)c2	955
+c1ccccc1Oc2c(cnc(N3CCOCC3)c2)C(O)=O	6
+c1cc(ccc1NCCNc2nc(N)c(C(=O)NCc3sc(cc3)Oc4ccccc4)cc2)[N+]([O-])=O	60
+c1cc(ccc1-c2c3c(n(n2)C4CC5(C4)CCCNC5)ncnc3N)Oc6ccccc6	62
+c1cc(ccc1-c2nn(C3CCNCC3)c4c2c(N)ncn4)Oc5ccccc5	25
+C1CNCCC1c2cc3[nH]nc(N)c3c(n2)-c4ccc(cc4)Oc5ccccc5	62
+c1ccccc1Oc2cc(ccc2)C(C#N)OC(=O)C(C(C)C)c3ccc(cc3)N=[N+]=[N-]	204
+c1ccccc1Oc2cc(ccc2)Nc3cc(Cl)ncn3	73
+c1ccccc1Oc2cccc(Nc3ccccc3)c2CN	107
+c1ccccc1Oc2cccc(n2)CN	421
+c1cc(ccc1)Oc2cc(OCCOC)c(N)nc2	161
+c1cc(ccc1)Oc2sc(CN)cc2	10828
+c1cc(ccc1Cl)-c2nc(Cl)c(C#N)cc2	10829
+c1cc(ccc1OC)-c2cc(CN=[N+]=[N-])ccc2OC	925
+c1cc(ccc1Oc2c([N+](=O)[O-])cc(cc2)Cl)C(N=[N+]=[N-])C	841
+c1cc(ccc1COC(N2CCC(C(C2)F)CN)=O)C	10830
+[N-]=[N+]=NC1c2c(ccc(c2)F)CCC1	841
+[N-]=[N+]=NCc1ccc2c(ccc(n2)C)c1	925
+c1ccccc1P(c2ccccc2)(c3ccc4ccccc4c3-c5c6c(cccc6)ccc5N)=O	2622
+c1cc(ccc1C)C=2c3c(C(=O)N(N)N=2)cccc3	10831
+c1cc(ccc1)P(c2ccccc2)(c3cc(ccc3)O)=O	5
+c1ccccc1CN2CCC(CC2)N(CCCCOCCBr)C(C)C	10832
+c1cc(ccc1-c2c(nc(s2)NC(=O)C)-c3ccc(cc3)C=CC(=O)OCC)S(=O)(=O)C	4668
+c1cc(ccc1Cl)Cc2c3c(n(CCCC=CC(=O)OCC)c2Br)cccc3	1667
+c1cc(ccc1S(=O)(=O)NCC2Cc3cc(C=CC(=O)OCC)ccc3C2)Cl	530
+c1cc(C=CC(OCC)=O)ncc1Br	10833
+c1ccccc1C(c2ccccc2)(C=CC(OCC)=O)CC#N	1667
+c1cc(ccc1C(c2ccc(cc2)F)=C(C=CC=O)c3n(nnn3)C)F	5071
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(n3nnnc3)C=CC=O	5071
+c1cc(ccc1)P(c2ccccc2)c3ccc(cc3)P(O)(O)=O	228
+c1cc(ccc1)P(c2ccccc2)c3ccc(cc3)P(OCC)(O)=O	228
+c1cc(ccc1Sc2ccccc2)C=O	825
+c1cc(ccc1Sc2ccccc2)C(CCC(O)=O)=O	815
+c1ccccc1CN(Cc2ccccc2)c3c4ncn(c4c5ccccc5n3)CCCCSc6ccccc6	1107
+c1ccccc1COC=2C(C=C(CNS(=O)(=O)c3cccc(C)c3)N(C=2C(O)=O)C)=O	10834
+O=S(=O)(C1CN(C(CC(=O)C)=S)C(C1)C(OC)=O)c2ccccc2	4940
+c1ccccc1S(=O)(=O)CC(O)Cn2cncc2	100
+c1cc(ccc1)S(=O)(=O)CC=CC=CC(O)=O	127
+c1ccccc1S(=O)(=O)CCCC(=O)C	1965
+c1cc(ccc1)S(=O)(=O)CCCc2n(CCCC)nc(C(=O)O)c2	6
+c1cc(ccc1)S(=O)(=O)CCCc2cc(C#N)nn2CCCC	331
+c1ccccc1S(=O)(=O)Cc2cc(N3CCN(CC3)Cc4ccccc4)ccc2[N+]([O-])=O	1177
+c1ccccc1S(=O)(=O)Cc2nc(-c3ccc(cc3)NC(Oc4ccccc4)=O)nc(N5CCOCC5C)c2	90
+c1cc(ccc1)S(=O)(=O)N2c3ccc(cc3CC2)CC	165
+c1cc(ccc1)S(=O)(=O)N2CCc3cc(ccc23)C=O	39
+c1cc(ccc1)S(=O)(=O)N2c3ccc(COC)cc3CC2	49
+c1cc(ccc1)S(=O)(=O)N2c3c(cc(C=CC(=O)OC)cc3)CC2	530
+c1cc(ccc1)S(=O)(=O)N2c3ccc(cc3CC2)C=CC(O)=O	127
+c1cc(ccc1)S(=O)(=O)N2CCc3cc(CO)ccc23	88
+c1cc(ccc1)S(=O)(=O)NCC=2OC(C=O)=C(OCc3ccccc3)C(=O)C=2	3124
+c1cc(ccc1)S(=O)(=O)Nc2ccsc2C(O)=O	1
+O=S(=O)(c1c(N)[nH]c2ccc(Cl)cc12)c3ccccc3	2574
+c1ccccc1COC(N(C)CC(NCc2c3c(ccc2)cc(cc3)S(=O)(=O)c4ccccc4)=O)=O	9
+c1cc(ccc1)S(=O)(=O)c2ccc3c(CN)cccc3c2	107
+c1cc(ccc1)S(=O)(=O)n2ccc(C=O)c2C	200
+c1cc(ccc1)S(=O)(=O)n2c3c(cc(F)cn3)cc2C(=O)CC(C)C	955
+CC(C)C=C(c1n(c2c(cc(cn2)F)c1)S(=O)(=O)c3ccccc3)OS(=O)(=O)c4ccc(cc4)C	10835
+O(C)c1c(ccc(-c2c[nH]c3c2cccc3)c1)OC	741
+c1cc(ccc1)S(=O)(=O)n2cc(C=O)c(c2Br)C(C)C	5072
+c1(cc(cc(Cl)n1)-c2c3c(ncc(OC)c3)[nH]c2)Cl	1017
+O=S(=O)(N)c1c(Cl)ccc(C(=O)c2cc[nH]c2)c1	4159
+c1cc(ccc1)S(=O)(=O)n2cc(CCN)cc2	157
+c1cc(ccc1)S(=O)(=O)n2c(C)c(cc2)CO	351
+c1cc(ccc1-c2c3c(ncc2)n(cc3)S(=O)(=O)c4ccccc4)S(=O)(=O)N5CCCC5	2070
+c12cnc3[nH]ccc3c1n(nn2)C4CCC(NC(OC)=O)C4	1017
+c1cc(ccc1)S(=O)c2c3ccccc3n(Cc4ccccc4)c2	190
+c1ccccc1S(=O)(=NC(c2cc(C#Cc3cc(NC(c4c(cco4)C)=O)ccc3)cnc2)=O)CC(=O)OCC	3144
+c1cc(ccc1)S(CC2N(C(=O)C2)C(=O)NCc3ccccc3)=O	10836
+c1cc(ccc1Cl)CCC(=O)C2(CC2)Sc3ccccc3	1847
+c1ccccc1Sc2ccc(Br)cc2CO	98
+c1ccccc1Sc2ccc(cc2CO)F	611
+c1cc(ccc1)Sc2c(cc(cc2)Nc3c(cnc4ccc(N)cc34)C#N)Cl	0
+c1cc(ccc1-c2ccc(-c3sc(cc3)C=CC)c(c2)F)CC	10837
+CC(C)c1c(C(=O)OC)c(c(CC)n1Cc2ccccc2)C=CCC	10838
+c1cc(ccc1-c2cc(F)c(cc2)C=3[Se]C(C=CCCC)=CC=3)CC	4928
+c1cc(ccc1C=Cc2ccc(cc2)Cl)Br	3158
+c1cc(ccc1C(O)=O)C=Cc2ccc(cc2)OCCCCCCO	3158
+n1(c(C=Cc2nn3c(n2)nc(C)cc3C)nc(Br)n1)C	10839
+C1CC(CCC1Oc2c(ccc(Br)c2)Cl)O	701
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC#CCCO	168
+c1cc(ccc1Cl)C2C(CC(C)(C(=O)N2C(CC)CO)CC=C)c3cccc(c3)Cl	5073
+c1ccccc1[Si](c2ccccc2)(OCC3CCC(C)CN3)C(C)(C)C	2
+c1nc(ncc1)-c2c(nc(cc2)C)C(=O)N3C(CO)CCC(C)C3	701
+CC(C)(C)OC(N1CC2CC2CC1CO)=O	701
+C1C(CC1OC2OCCCC2)CCO	701
+C1OC(OCCCCC#CCCCCCCCCCCO)CCC1	701
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCCC=O	24
+c1cc(ccc1OCc2ccccn2)-c3nc(c(o3)C)CCO	5073
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(ccc(c3Cl)-n4c(CN)ccc4)Cl	421
+C1(CN(CC(C)O1)c2c(cc(C(=O)c3ccccc3)c(F)c2F)CO)C	701
+CC1CN(CC(C)O1)c2c(CO)cc3c(noc3c2F)C(=O)OCC	10840
+C1CC1C(CC(=O)OCC)c2cccc(CO)c2	701
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3nc(oc3)-c4ccc(cc4)F	4235
+CC(C)(C)Cc1c(-c2cc(OC)ccc2F)ccc(CO)n1	10841
+c1cc(ccc1F)-c2occ(CO)n2	701
+c1cc(ccc1)[Si](c2ccccc2)(OCCN(Cc3ccc(cc3)C(OC)=O)C)C(C)(C)C	328
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCc3cc(nc(n3)S(=O)(=O)C)Nc4ccc(cc4)F	328
+c1cc(ccc1)[Si](c2ccccc2)(OCCn3cc(cn3)I)C(C)(C)C	328
+c1cc(ccc1COC(=O)N2CCC(NC(c3nc(sc3)N4CC(C4)O)=O)C2)[N+]([O-])=O	5074
+CC(C)(CN1c2c(C(OC(CC(OCC)=O)C1=O)c3cccc4ccccc34)cc(cc2)Cl)CO	701
+c1cc(ccc1)[Si](c2ccccc2)(OCC(CO)C)C(C)(C)C	95
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC(COc3ccc(cc3)Br)C	20
+C1CCCCC1(CC)CCO	5074
+c1cc(ccc1CN2C=C(CCO)N(CCC)C2=O)C	701
+c1cc(ccc1)[Si](c2ccccc2)(OCCC=3C(=O)N(C=CC=3)c4c(cc(N)cc4)OC)C(C)(C)C	0
+O=S1(=O)N(CCCO)Cc2ccccc2N1	701
+c1ccccc1[Si](c2ccccc2)(OCCN(C)Cc3ccc(cc3)CO)C(C)(C)C	98
+c1cc(ccc1)[Si](c2ccccc2)(OCCOC3CCC(CC3)CO)C(C)(C)C	95
+c1cc(ccc1)[Si](c2ccccc2)(OCCOC3CCC(CC3)C=O)C(C)(C)C	24
+c1cc(ccc1)[Si](c2ccccc2)(OCc3c(c(F)c(F)c(C(c4ccccc4)O)c3)N5CC(C)OC(C)C5)C(C)(C)C	1641
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(c(F)c(c(C(=O)c4ccccc4)c3)F)N5CC(C)OC(C5)C	335
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3cc4c(c(F)c3N5CC(C)OC(C)C5)onc4C(=O)OCC	10842
+c1cc(ccc1)[Si](c2ccccc2)(Oc3cc(OC)c(c(c3)OC)CO)C(C)(C)C	41
+c1cc(ccc1-c2nc(c(o2)C)CCl)C(OC)=O	10843
+c1cc(ccc1-c2[nH]c3ncc(c(c3n2)I)Cl)C(O)=O	1
+c1cc(ccc1)N2C=C(C(=O)c3ccc(cc23)Cl)CNC(c4ccc(cc4)-c5[nH]cnn5)=O	2460
+c1cc(ccc1-c2c(-c3ccccc3)nc4c(CCCN4CCCCCCC(=O)O)n2)C	3
+c1cc(ccc1C)-c2c(c(C)nc(CC(C)C)c2CN)C(=O)OC	388
+c1cc(ccc1OCCN)-c2c(C#N)c3c(n2CC)cc(cc3)OC	18
+c1cc(ccc1F)-c2c(C=O)n(Cc3ccc(cc3)-c4c(C#N)cccc4)c(CCCC)n2	371
+c1cc(ccc1-c2ccccc2C#N)CC=3C(N(Cc4ccccc4)C(=CC=3O)C)=O	10844
+c1cc(ccc1-c2c(C#N)cccc2)CN3C(=O)C=C(N=C3CCC)CC	10845
+c1cc(ccc1-c2c(C#N)cccc2)CN3c4sc(CC)cc4C(=O)NC3=O	4805
+c1cc(ccc1OC)C(=O)CN2C(=O)c3c(N(Cc4ccc(cc4)-c5c(C#N)cccc5)C2=O)sc(c3)CC	1833
+c1cc(ccc1-c2onc(c2C(O)C(F)(F)C=Cc3ccc(cc3)F)C)Br	1046
+c1cc(ccc1-c2c(C(NC)=O)c3c(cc(N(C)S(=O)(=O)C)c(C4CC(C(=O)O)N(C)C4)c3)o2)F	4
+c1cc(ccc1-c2c(C(NC)=O)c3c(cc(N(C)S(=O)(=O)C)c(C4CC(c5oc6c(n5)c(ccc6)F)N(C4)C)c3)o2)F	1692
+c1cc(ccc1)CCNC(=O)c2c(noc2-c3ccc(cc3)Br)C	5006
+c1cc(ccc1-c2cc(O)ccc2C(O)=O)F	5
+c1cc(ccc1-c2c(c(C(=O)O)nn2-c3c(Cl)cc(cc3)Cl)C)OCCCF	6
+c1cc(ccc1C(O)=O)-c2c(C)ccc(NC(c3cocc3)=O)c2	1
+c1cc(ccc1-c2c(C)nc(c(C(N)=O)n2)C)-c3cc(C)c(CC(=O)O)cc3Cl	3
+C1CC(CCC1N2c3ncnn3C(=C(C2=O)Cc4ccc(cc4)-c5c(C6=NOC(=O)N6)cccc5)CCC)C#N	143
+c1cc(ccc1CC(=O)O)-c2c(C3CC3)nccn2	4
+c1cc(ccc1Cl)-c2[nH]c3c(sc(C(OC)=O)c3)c2C4CCCCC4	10846
+c1cc(ccc1-c2c(cnn2C)C=CC(Nc3ccc(cc3)CC(OCC)=O)=O)F	1313
+CN(C)c1c(C=CC(OC)=O)c(c2ccccc2n1)-c3ccc(cc3)F	4217
+c1cc(ccc1-c2sc(C(=O)c3occc3)cc2CC(=O)O)C#N	3
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OCC)-c4c(c(C)no4)CCOCc5ccncc5	149
+c1cc(ccc1-c2c(Cl)cc3c(CC(=O)N3)c2)Cc4c(cccc4)O	5
+c1cc(ccc1NC(C=2C(=O)C(c3ccc(cc3)F)=CN(CCF)C=2)=O)-c4c(ncc(Br)c4)N	10847
+c1cc(ccc1-c2ccccc2[N+]([O-])=O)-c3nc4ccccc4o3	10848
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(cn3)C(=O)O)F	1
+C1CN(CCO1)c2ccc3c4c([nH]c3c2)c(cc(Br)n4)C(=O)OC	5075
+c1cc(ccc1-c2c(ncc(c2CC)Br)N)O	5
+c1cc(ccc1-c2scc(CSc3c(C#N)c(-c4ccc(cc4)OC5CCOC5)c(C#N)c(N)n3)n2)Cl	2837
+c1cc(ccc1CC)-c2csc(c2C(=O)O)N3C(=O)c4c(cccc4)C3=O	6
+c1cc(ccc1-c2c(C(OCC)=O)c3cc(Br)c(N)cc3o2)F	0
+c1cc(ccc1F)-c2oc3c(c2C(=O)NC)cc(-c4ccc5n(c(cn5)-c6ccc(cc6)F)c4)c(N(C)S(=O)(=O)C)c3	3225
+c1cc(ccc1F)-c2c(c3c4CC(C)(C)Oc4ccc3o2)C(=O)O	1
+c1cc(ccc1-c2oc3c(cc(Br)c(c3)N4CCCC4=O)c2C(=O)O)F	6
+c1cc(ccc1-c2c(C(=O)O)c3c(o2)cc(c(Br)c3)NS(=O)(=O)C)F	6
+c1cc(ccc1C#N)-c2nc(c(O)cc2-c3ccc(cc3)F)O	104
+c1cc(ccc1-c2c(O)cccc2)-c3c(cc4c(c(c[nH]4)C(O)=O)c3)Br	1
+c1ccccc1-c2cc3c4n(cnn4)ccc3nc2-c5ccc(cc5)C=O	494
+c1ccccc1-c2cc3c4nnc(CO)n4ccc3nc2-c5ccc(cc5)C=O	494
+c1cc(ccc1CC(NC(=O)CCC(=O)O)CC(=O)O)-c2c(ccc(F)c2)OC	3
+c1cc(ccc1C(NS(=O)(=O)c2ccccc2-c3ccc(cc3)CN4C(=O)N(N=C4CCCC)c5c(Cl)cccc5)=O)F	2909
+c1cc(ccc1-c2c(cccn2)CC)C(O)=O	1
+c1cc(ccc1-c2c(cnn2C)C=CC(Nc3ccc(cc3)CC(O)=O)=O)F	3
+CC(C)n1c(c(c(-c2ccc(cc2)F)c1C=O)-c3ccc(cc3)F)C(O)=O	6
+c1cc(ccc1N)-c2c(n3ncc(C(OCC)=O)c3nc2)N	0
+c1cc(ccc1)COCc2nc(N)nc(c2-c3ccc(cc3)OCc4ccc(cc4)Cl)N	22
+c1cc(ccc1OC)-c2ccc(O)nc2-c3ccc(cc3)OC	1220
+c1cc(ccc1-c2sc(nc2-c3ccc(cc3)CCCO)NC(=O)C)S(=O)(=O)C	10849
+c1cc(ccc1OC)-c2c(nc(N)s2)C	1176
+c1cc(ccc1-c2nc3nccn3cc2-c4ccc(cc4)F)C=O	198
+c1cc(ccc1C)NS(=O)(=O)Nc2c(c(OCCOc3ncc(cn3)Br)ncn2)-c4ccc(cc4)C	482
+O=S1(=O)CCN(CC1)c2ccc(cc2)-c3nc(-c4cccc(Cl)c4F)oc3C5C(CCCC5)C(O)=O	4
+c1cc(ccc1-c2c(oc3ncnc(OC4CCCN(CCCC(=O)O)C4)c23)-c5ccccc5F)OC	4
+c1cc(ccc1-c2c(C(O)=O)sc(n2)C)F	1
+c1cc(ccc1S(=O)(=O)N)-c2c(C(O)=O)sc(c2)-c3ccc(cc3)Cl	6
+c1cc(ccc1-c2sc(nc2-c3ccc(cc3)CCCN4C(c5c(C4=O)cccc5)=O)NC(=O)C)S(=O)(=O)C	966
+c1cc(ccc1Cl)-c2c(C(O)C(OC)=O)c(C)nc3[nH]c(c(C)c23)C	10850
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+c1ccccc1-c2n(c3cccc(-c4ccc(cc4)O)c3c2C)Cc5ccccc5	5
+c1cc(ccc1-c2c3c(ccn2)c(CC(OCC)=O)ccc3)N	0
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+c1cc(ccc1-c2ccc(c(c2)C=C(C(O)=O)C)N3C(CCC3)C)OCCOCCCC	108
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+c1cc(ccc1-c2cc(F)c(cc2OC)F)OCc3nc(cs3)C(=O)O	6
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+c1cc(ccc1-c2c(cc(O)c(OC)n2)-c3ccc(cc3)F)C#N	390
+c1cc(ccc1O)-c2onc(OCOC)c2	16
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+c1cc(ccc1OC)-c2[nH]nc(c2)CO	194
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+c1cc(ccc1Cl)-c2cc(F)c(C3C(=O)CC(C3=O)CC#C)c(c2)Cl	10851
+c1cc(ccc1F)-c2c(O)c(N)cc(C(=O)OC)c2	0
+c1ccccc1CNC(c2cccc(c2)-c3ccc(cc3)C=C4SC(=O)NC4=O)=O	14
+c1cc(ccc1C=CC(=O)OC)-c2cc(ccc2)N(C(NCCCCCCC)=O)CC	530
+c1cc(ccc1-c2cc(ccc2C)C(=O)NC3CC3)-c4oc(nn4)CN	18
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+c1cc(ccc1-c2cc(on2)-c3nn(nn3)CC(O)=O)Oc4c(ccc(F)c4)Br	3
+c1cc(ccc1O)-c2noc(C(=O)OCC)c2	5
+c1cc(ccc1N)-c2[nH]c3c(c2)c(N4CCCc5c4cccc5)ncn3	0
+c1cc(ccc1Cl)NC2c3c(ccc(-c4ccc(cc4)C(=O)OCC)c3)N(C(C)=O)C(C)C2	250
+c1cc(ccc1N)-c2cc3c(ncnc3N4CCc5ccccc45)[nH]2	0
+c1cc(ccc1-c2cc3c(cc(OCCOCCOCCF)cc3)cc2)N	0
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+c1cc(ccc1O)-c2sc(cc2)CCCCC	5
+c1cc(ccc1C(CC(=O)O)(C)O)-c2ccc(F)cc2F	3
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+c1cc(ccc1Cl)-c2cc(B(OC)O)c(Br)cc2	493
+c1ccccc1Cc2c(-c3ccc(cc3)-c4ccc(cc4)CO)c5c(cccc5)o2	41
+c1cc(ccc1-c2ccc(cc2)-n3c(c(C)nn3)NC(OC(C)C)=O)C4(CC4)C(O)=O	4
+c1cc(ccc1-c2ccc(cc2)-n3cccn3)Br	901
+c1cc(ccc1N2CCC3CNCC23)-c4ccc(cc4)C#N	62
+c1cc(ccc1OCCCC(=O)O)-c2ccc(cc2)C#N	3
+c1cc(ccc1F)OC(C(OCC)=O)Cc2ccc(cc2)OCCON=C(c3ccc(cc3)-c4ccc(cc4)F)C	262
+c1cc(ccc1C2(CC2)C(O)=O)-c3ccc(cc3)-c4c(n(nc4)C)NC(CC(C)c5ccccc5)=O	4
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(O)=O)-c4onc(C)c4Nc5nc(-c6ccccc6C)ccc5	3
+c1cc(ccc1C=Cc2nc(-c3c(cc(cc3)Cl)Cl)cn2Cc4ccccc4)-c5ccc(cc5)OC	371
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+c1cc(ccc1CCN)-c2ccc(cc2)C3CCCC3NS(=O)(=O)C(C)C	51
+c1cc(ccc1N)-c2ccc(cc2)CCCCCCCC	0
+c1cc(ccc1-c2ccc(cc2)Cl)C(O)C	74
+c1cc(ccc1NC(c2c(c3c(cccc3OC)o2)C)=O)-c4ccc(cc4)S(=O)(=O)NC(C(C)C)C(=O)OC	768
+c1cc(ccc1C=O)C=CC(Nc2ccc(cc2)-c3ccc(cc3)Cl)=O	1054
+O=C(O)C(C(=O)O)CC(=O)c1ccc(cc1)-c2ccc(cc2)NC(CCCC)=O	3
+c1cc(ccc1C(O)=O)-c2ccc(cc2)OCCCCl	1
+C(O)C(CO)Cc1ccc(cc1)-c2ccc(cc2)OCc3ccccc3	5077
+O=S(=O)(C)C(C(=O)NO)(CCc1ccc(cc1)-c2ccc(cc2)[N+](=O)[O-])C	792
+c1cc(ccc1O)-c2ccc(cc2C)C#N	5
+c1cc(ccc1C=CCO)C#Cc2ncc(cc2)-c3ccc(cc3)Cl	129
+CC(C)C(C(=O)OC)N1C(=O)c2c(C1)ccc(-c3ccc(cc3)N)c2	0
+c1cc(ccc1-c2cc3C(=O)N(Cc3cc2)C(C(C)C)C(O)=O)NC(c4c(F)ccc(c4F)C)=O	4
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+c1cc(ccc1CC2SC(NC2=O)=O)-c3cc(ccc3)C(=O)NCCCCCCCC	534
+c1cc(ccc1-c2cccc(C)c2)C(O)=O	6
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+c1cc(ccc1-c2cccc(OCC)c2)C3N(c4c(cccc4)F)N=C(C(O)=O)C3	4
+c1cccc2c3c(cccc3)n(c12)-c4ccc(cc4)-c5cc(Oc6cc(Oc7ccccc7)ccc6)ccc5	304
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+c1ccccc1OC(C(=O)OCC)Cc2ccc(cc2)OCCNC(=O)c3ccc(cc3)-c4ccccc4	14
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(NC(=O)CCC(=O)O)nc5c4cc(CC)s5)=O	4
+c1cc(ccc1-c2ccccc2)C(=O)N3CCN(CC3)c4nc(nc5c4cc(CC)s5)N	10853
+c1cc(ccc1)COc2ccc(Br)cc2C(NC(C(O)=O)Cc3ccc(cc3)-c4ccccc4)=O	4
+c1cc(ccc1-c2ccccc2)COCc3ccc(nc3)NC(=O)CCC(O)=O	4
+c1cc(ccc1-c2ccccc2)Cn3cc4C(N(C)C(Nc4n3)=O)=O	10854
+c1cc(ccc1NCc2cc(C(=O)OC)oc2C)-c3ccccc3	10855
+c1cc(ccc1NC(=O)c2cc(CCCC)n(Cc3ccc(cc3)-c4ccccc4-c5[nH]nnn5)n2)Cl	187
+c1cc(ccc1-c2ccccc2C3CCCNC3)Cn4c(ccc4)CC	1446
+c1cc(ccc1C(=O)C)N2C(CC)=NC(CCC)=C(Cc3ccc(cc3)-c4ccccc4C#N)C2=O	1778
+c1cc(ccc1C(=O)N2C(C(O)=O)CC(=NOC)C2)-c3ccccc3C	4
+Cc1ccccc1-c2ccc(O)c(c2)CC=C	423
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+c1c2c(nc(-c3cc4c(c5c([nH]4)cccc5)cc3)o2)ccc1	1223
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+O=S(=O)(c1ccc(cc1)-c2cn(c3c2c(ncc3)O)C(CC)COC)N	104
+c1cc(ccc1C)-c2cn(CC)c3cccc(N)c23	0
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+c1cc(ccc1-c2cncc(c2)-c3cc(ccc3)C(O)=O)C(C)C	6
+c1cc(ccc1-c2cccnc2)-c3nc4cccc(C(=O)OC)c4o3	3069
+C1CC(CCN1)c2ccc(cc2)-c3cnn(c3)C	191
+c1cc(ccc1-c2csc(N3C(OCC3COC)=O)n2)Br	21
+c1cc(ccc1-c2nc(N3C(CO)COC3=O)sc2)Br	88
+c1cc(ccc1-c2csc(n2)N)CCN	524
+c1cc(ccc1)-c2csc3c2ccc(c3)OC	5014
+c1cc(ccc1-c2n(c3c(c2C#N)ccc(c3)OCCn4cncc4)CC)NC(=O)C5CC5	871
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+c1cc(ccc1-c2n(nc(C#N)c2C)-c3ccc(Cl)cc3Cl)Cl	331
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)-c3nnnn3C	90
+c1cc(ccc1-c2c3CCCCCc3nc4ccnn24)O	16
+c1cc(ccc1C#N)-c2n3c(nc2)cnc(-c4ccc(cc4)C(OCC)=O)c3	356
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+c1cc(ccc1-c2nc(C)ns2)N	0
+c1cc(ccc1-c2c3n(ccnc3N)c(n2)C4CCCN4)C(=O)Nc5sc6CCCCc6n5	62
+C1CC1c2nnc3C(c4nc(-c5ccc(cc5)C(=O)O)c6c(nccn46)NCc7c(OC)cc(cc7)OC)CCCn23	1
+CC(C)N1C(C=CC(=C1)c2ncc(nc2-c3ccc(cc3)OC)N)=O	4343
+c1cc(ccc1-c2c3c(nc(n2)N)-c4c(cccc4O)C3=O)F	5
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+c1cc(ccc1S(=O)(=O)Cc2c(C)oc(-c3ccc(cc3)C(OC)=O)n2)C	10858
+c1cc(ccc1NC(=O)Oc2ccccc2)-c3nc4CN(C)Cc4c(N5CCOCC5C)n3	90
+c1cc(ccc1Cl)-c2occ(n2)CSc3c(c(-c4ccc(cc4)OCC5OC(C)(C)OC5)c(C#N)c(n3)N)C#N	5078
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+c1cc(ccc1)CNc2nc(c(c(-c3ccc(cc3)C)n2)C(C(=O)OC)CCC)C	96
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+c1cc(ccc1-c2nc3c(CCCN3CCCCCCC(O)=O)nc2-c4ccc(cc4)C)C	3
+c1cc(ccc1O)-c2oc3cc(C4=NNC(=O)CC4CC)ccc3n2	16
+c1cc(ccc1-c2[nH]c3c(cccc3)n2)C(O)=O	1
+c1ccccc1-c2nc3c(cccc3)c(c2)Cl	1191
+C1CCCCC1C(C(=O)O)n2c(nc3ccccc23)-c4ccc(cc4)Cl	3
+c1cc(ccc1C)-c2nc3CCCNc3nc2-c4ccc(cc4)C	5079
+c1cc(ccc1C(C)=O)-c2nc3ccc(cn3c2)I	155
+c1cc(ccc1F)-c2cn3c(CCCC3)n2	3035
+c1cc(ccc1NC(=O)C)-c2nc3c(c(N4CC5CCC(C4)O5)n2)cn[nH]3	1002
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+c1cc(ccc1-c2c(cccn2)CC)C(OC)=O	1661
+c1cc(ccc1-c2ncccc2C=C)C(OC)=O	5080
+n1cccnc1CN2CC(C2)n3c(-c4ccnc(n4)N)c(nc3)-c5ccc(cc5)F	566
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+c1cc(ccc1-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)C(=O)O	1
+c1cnccc1-c2c(nn3CCCNc23)-c4ccc(cc4)F	10859
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+c1cc(ccc1CC(Nc2ccc(cc2)-c3ccc4n(nc(n4)N)n3)=O)F	33
+c1cc(ccc1-c2nnc(-c3c(N)cccc3)o2)C(=O)O	6
+c1cc(ccc1CO)-c2nnc(s2)-c3ccc(cc3)N4CCC(CC4)(CCCC)OC	98
+c1cc(ccc1C2=Nn3c(C(N2)=O)c(C)nc3C)[N+](=O)[O-]	10861
+c1cc(ccc1-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C)C(O)=O	1
+c1cc(ccc1-c2nnc(O)cc2)CCO	59
+c1cc(ccc1-c2nnc(Cc3cc4sc(cc4cc3)C(=O)Nc5ccccc5N)o2)OC	2810
+c1cc(ccc1-c2nnc(o2)Cc3cc4c(cc(s4)C(O)=O)cc3)OC	6
+c1cc(ccc1-c2nnn(C)c2COc3nnc(cc3)C(O)=O)F	6
+c1cc(ccc1-c2c(n(C)nn2)C(O)=O)C3CCC(CC3)CC(=O)OCC	426
+c1cc(ccc1F)-c2cc(on2)C(=O)C	3153
+n1cccnc1N2C(NC(C(Nc3ccc(cc3)-c4noc(C)n4)c5cc(c(cc5)OCC)OC)=N2)=O	10862
+c1cc(ccc1CN(C2C(NCCCC2)=O)S(=O)(=O)c3ccc(cc3)Cl)-c4nc(CO)on4	59
+c1cc(ccc1-c2c(C#N)c(sn2)NC(=O)Oc3ccccc3)[N+](=O)[O-]	10863
+C1CN(CCN1CC(c2ccc(cc2)OC)=O)c3nc(-c4ccc(cc4)Cl)ns3	676
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+c1cc(ccc1N)-c2cc(C(OCC)=O)c(o2)C	0
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+c1cc(ccc1-c2nnc(o2)Nc3cc(ccc3)Cl)Oc4nc(N)nc(c4)N	185
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+c1cc(ccc1-c2c(C(O)=O)c3c(o2)nc(Cl)c(c3)Br)F	1
+c1cc(ccc1CNC)-c2oc3c(cc(F)cc3C(=O)OC)c2	2217
+c1cc(ccc1-c2oc3c(cc(F)cc3C(=O)OC)c2)CNC4CC4	10865
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+c1cc(ccc1-c2oc3c(cc(c(N(S(=O)(=O)C)c4cc(c(cc4)N)CCO)c3)C5CC5)c2C(NC)=O)F	95
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+c1cc(ccc1-c2oc3c(cc(c(c3)N(c4cc(CC(=O)OC)c([N+](=O)[O-])cc4)S(=O)(=O)C)C5CC5)c2C(NC)=O)F	1540
+c1cc(ccc1-c2c(c3cc(O)c(cc3o2)CC(=O)OC)C(=O)NC)F	1206
+c1cc(ccc1-c2oc3ccc(O)cc3n2)C#N	818
+c1cc(ccc1-c2ocnc2)N	0
+c1cc(ccc1F)-c2cc(C(O)=O)no2	6
+c1cc(ccc1-c2sc(cc2)-c3ccc(O)cc3F)C(O)=O	5
+C1CC1(c2ccc(cc2)-c3ccc(cc3)-c4sc(Cl)cc4NC(=O)OC(C)c5c(cc(cc5)F)F)C(O)=O	3
+C1CC1(c2ccc(cc2)-c3ccc(cc3)-c4sc(F)cc4NC(OC(c5ccccc5C)C)=O)C(O)=O	3
+c1cc(ccc1-c2sc(cn2)C(Nc3nccc(n3)N4C(C(C)N)COC4=O)C)Cl	18
+c1cc(ccc1-c2sc(nc2-c3ccc(cc3)CCCN)NC(=O)C)S(=O)(=O)C	45
+c1cc(ccc1-c2c(-c3ccc(cc3)C=O)nc(s2)NC(=O)C)S(=O)(=O)C	39
+c1cc(ccc1-c2sc(nc2-c3ccc(cc3)CO)NC(=O)C)S(=O)(=O)C	59
+c1cc(ccc1-n2c(-c3ccc(cc3)C)cc(C4(CCC(CC4)=O)O)n2)Cl	97
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+c1cc(ccc1-n2c(NC3=NCCN3)cc(C)n2)F	10867
+c1cc(ccc1-n2ncc(c2C)C(=O)NC(CCC)c3cc(cnc3)Br)Cl	4314
+c1cc(ccc1F)-n2c(-c3cn(cn3)-c4ccc(C(OC)=O)cn4)c(nn2)C	3033
+c1cc(ccc1Cl)-n2c(C(CO)C3CCCCC3)c4CCCc4n2	44
+CC(C)Cc1n(nc(c1)C=O)-c2ccc(cc2)F	1406
+c1cc(ccc1C(=O)OCC)-n2c(cc(C=C)c2)C#N	5080
+c1cc(ccc1-n2c(cc(n2)CC)CC)O	5
+c1cc(ccc1-n2c(-c3ccc(cc3)Cl)cc(CCC(=O)C)n2)OC	86
+c1cc(ccc1Cl)-n2c(C)cc3c(c(OC)cc4ncnc2c34)OC	10868
+c1cc(ccc1-n2nccc2C(C(CC)CC)NS(=O)(=O)c3ccc(Cl)s3)O	5
+c1cc(ccc1-n2nccc2NC(=O)CSc3nnnn3-c4c(C)ccc(C)c4)OC	142
+c1cc(ccc1-n2cncc2C=O)C#N	614
+c1cc(ccc1-n2c(COCc3ccc(cc3)Cl)nc(-c4c(noc4C)-c5ccccc5)c2)[N+]([O-])=O	2130
+c1cc(ccc1O)-n2c(nc3cnccc23)-c4nonc4N	5
+c1cc(ccc1-n2c(ncc2C(C)(C)c3cc(Cl)c(cc3)Cl)CO)F	10869
+c1cc(ccc1CCN)-n2c3c(c(C)cc(C)n3)nc2CC	18
+c1cc(ccc1CCO)-n2c3c(c(C)cc(C)n3)nc2CC	10870
+c1cc(ccc1-n2ccc3ccccc23)OCc4ccc(cc4)C#N	22
+c1cc(ccc1C(=O)C(=O)O)-n2c3c(nc2)cccn3	2249
+c1cc(ccc1-n2c3c(nc2)c(ccc3)N)C#N	13
+c1cc(ccc1O)-n2c(cc3ccccc23)CCOC	16
+c1cc(ccc1C)-n2cc(cn2)N	209
+c1cc(ccc1-n2cc(nc2)CNC(c3sc(cc3)Cl)=O)N4C=CC=C(O)C4=O	2285
+c1ccccc1-c2cn(-c3ccc(cc3)CCNC(Oc4ccccc4)=O)c(CC)n2	101
+c1cc(ccc1-n2nc(C(=O)O)cc2)F	6
+c1cc(ccc1-n2c3c(cc2)cccc3)O	5
+c1cc(ccc1-n2cccn2)Cc3c(OC(F)F)nc4c(ccc(c4c3C)OCC(O)=O)Cl	4
+c1cc(ccc1-n2cc(nc2)C(O)=O)S(=O)(=O)C	1
+c1cc(ccc1-n2cnc(CN)c2)N3C=CC=CC3=O	18
+c1cc(ccc1-n2ccnc2)NCC3CN(c4ccc(c(Cl)c4)Cl)CCN3CC	15
+c1ccccc1CNC(=O)c2c(C(C)C)c(C=O)n(-c3ccc(cc3)F)n2	81
+c1cc(ccc1-n2c3nc(C)cc(C(O)=O)c3c(n2)C)OC	6
+c1cc(ccc1F)-n2nc(c(OCC)c2)C(=O)O	6
+c1cc(ccc1-n2c(NC3=NCCN3C(C)=O)cc(C)n2)F	10871
+c1cc(ccc1N)-n2c(CN(C)C)c3c(N(C(=O)N(c4cccc(c4F)OC)C3=O)Cc5c(F)cccc5F)n2	0
+c1cc(ccc1-n2cc(cn2)C(O)=O)Oc3c(Cl)ccc(c3)F	6
+c1cc(ccc1)C(C(C)N)Oc2ccc3c(cnn3-c4ccc(cc4)C(OC)=O)c2	669
+c1cc(ccc1Br)-n2c(c(C)nn2)C(O)=O	1
+c1cc(ccc1-n2nnc(C(=O)NC3CC3)c2CCCN)C(=O)NCC	45
+c1cc(ccc1-c2c3n(ccc(n3)NCCOC)nc2)-c4[nH]nnn4	2673
+n1cccnc1-c2ccc(cc2)C#CCO	2294
+c1cc(ccc1N2C=CC3=C(C(c4ccc(cc4)Cl)=NCc5onc(C)c35)C2=O)C#N	10872
+c1cc(ccc1-c2ccc(cc2)C3C(C3)CCO)C#N	11
+c1cc(ccc1-c2ccc(cc2)C#N)N3C4C(CN(C)C4)CC3	11
+c1cc(ccc1-c2n3c(cnc(c3)Br)nc2)C#N	4772
+c1cc(ccc1-c2c3CCCC(N)c3cnc2)C#N	89
+c1cc(ccc1-c2nc3n(cc(COc4ccc(cc4)C(CC(=O)OCC)C#CC)cc3)n2)C(C)C	4983
+c1cc(ccc1C(C)C)-c2ccncc2	835
+c1cc(ccc1C(OC)=O)-c2ccc(nc2)C#N	89
+c1cc(ccc1OC)-c2ccc(c(F)c2)-c3ccc(cc3)CCC	11
+C1CCCC1(C(=O)O)c2ccc(cc2)-c3ccc(cc3)CCN4C(CCC4)C	667
+c1cc(ccc1CO)-c2ccc(C=O)nc2	89
+c1cc(ccc1CO)-c2nccnc2	696
+c1cc(ccc1C(=O)Nc2ccc(F)c(-c3ccc(cc3)Cl)c2)Oc4c(cc5c(OCCC5C(OCC)=O)c4)Cl	11
+c1cc(ccc1Cc2c(-c3ccc(cc3)Cl)sc4c2C(N(C(=O)N4C)CCC(=O)OC)=O)Cl	10873
+c1cc(ccc1Cl)-c2cc(c3nccn3c2)C	89
+c1cc(ccc1-c2cncc3c2cc(C(=O)O)cc3)Cl	89
+c1cc(ccc1NC(C(c2ccc(cc2)F)C)=O)B(O)O	33
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(c(-c5ccccn5)n4)-c6cc(ncc6)-c7ccc(cc7)N	119
+c1cc(ccc1N(C)C)-c2c(nc(nc2)NCc3ccncc3)NC4CCN(CC4)Cc5ccccc5	537
+c1cc(ccc1N(C)C)-c2ccnc(Cl)n2	198
+c1cc(ccc1-c2cc3c(OC(CC34C(N(C)C(N)=N4)=O)c5ccccc5)cc2)OCc6ccccc6	11
+c1cc(ccc1-c2cnc(nc2)C3=CCOCC3)S(=O)(=O)Nc4c(F)cc(c(F)c4)C(OC)=O	537
+n1cc(cnc1COC)-c2ccc(cc2)S(=O)(=O)Nc3c(F)cc(c(F)c3)C(OC)=O	537
+OB(O)c1ccc(cc1)-c2c3ccccc3c4c(c2)cccc4	579
+c1cc(ccc1Br)-c2c(n(C)nn2)C(O)=O	6
+c1cc(ccc1-c2c(C(O)=O)c(no2)C)Br	1
+c1cc(ccc1-c2nc(-c3cc(c(cc3)F)F)oc2C4C(CCCC4)C(O)=O)Br	4
+c1cc(ccc1Br)-c2onc(C)c2CCO	44
+c1ccccc1COC(c2c(-c3ccc(cc3)Br)nnn2C)=O	470
+c1cc(ccc1-c2nn3c(Cc4c5c(cccc5)[nH]c4)nnc3nc2)Br	10874
+c1cc(ccc1-c2nc(C)c(C)n2CC3CN(C(C4CC4)=O)CC3)-c5ccc(cc5)F	11
+c1cc(ccc1OCCc2c(C)oc(n2)-c3ccc(cc3)Br)OC(C)(C)C(OCC)=O	267
+c1cc(ccc1Br)-c2nc(c(C)o2)CCOCc3ccccc3	149
+c1cc(ccc1-c2nc(oc2C3C(CCCC3)C(O)=O)-c4cccc(c4)Cl)Br	4
+c1cc(ccc1Br)-c2nc(c(o2)C)CCO	21
+c1cc(ccc1Br)-c2c(c(C)no2)CC(OCc3ccccc3)=O	283
+c1cc(ccc1-c2ccc(s2)C(=O)CCc3c(c(c(O)cc3)Cl)Cl)Br	2301
+c1cc(ccc1-n2c(c(cc2Cl)N)C(OCC)=O)Br	10875
+c1cc(ccc1-n2c(cc3c2c(O)c(C#N)c(n3)O)Cl)Br	10876
+c1cc(ccc1F)-c2ccc(cc2)Br	134
+n1cc(cnc1N)-c2ccc(cc2)Br	537
+c1cc(ccc1Br)-c2ccccn2	119
+C1CN2CCC1C(C2)C(C#Cc3ccc(cc3)C(OC)=O)(c4ccccc4)O	197
+c1cc(ccc1C(CO)C)Br	44
+c1cc(ccc1Br)C(CO)CO	5077
+c1cc(ccc1Br)-c2c(C3C(C(=O)OC)CCCC3)oc(n2)-c4cc(c(cc4)F)F	5081
+c1cc(ccc1Br)C(C)CCO	21
+CC(C)C(CCNC(c1ccc(cc1)Br)C)=O	97
+c1cc(ccc1Sc2c([N+](=O)[O-])cc(cc2)OC(C)c3ccc(cc3)Br)O	825
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br	15
+C(C)C(CC)(c1ccc(cc1)Br)c2cc(c(O)cc2)C	1848
+c1ccccc1COC(NC2CCC(N3CCCC(C(NCC(c4ccc(cc4)Br)=O)=O)N3C2=O)=O)=O	612
+c1cc(ccc1Br)C2(COC2)COCc3ccccc3	10877
+c1cc(ccc1C)S(=O)(=O)OCC(COC(=O)C)c2ccc(cc2)Br	36
+c1cc(ccc1Br)-c2nc(oc2C3C(C(=O)OC)CCCC3)-c4cccc(c4)Cl	5081
+c1cc(ccc1C(c2ccc(cc2)Cl)CC(OCC)=O)Br	10878
+c1cc(ccc1Br)C2(CCCC2)CO	237
+c1cc(ccc1)CN2CCC(=CC2)c3ccc(cc3)Br	252
+c1cc(ccc1Br)C2CCN(CC2C)C(OC)=O	564
+c1cc(ccc1C2C(C=C)C2)Br	4278
+c1cc(ccc1C2C(C2)CC=3N(CC)C(=O)NN=3)Br	2082
+c1cc(ccc1Br)C2CC2C=O	24
+c1cc(ccc1C2C(C2)N)Br	157
+c1cc(ccc1Br)C2CC(CC2)(N)C(O)=O	10879
+c1cc(ccc1Br)C2C(CNCC2)C	1574
+c1cc(ccc1S(=O)(=O)N(C)c2cccc(OC)c2)-c3ccc(cc3)C=O	2256
+c1cc(ccc1Nc2ncc3c(ccc(c3)-c4ccncc4)n2)C=O	490
+c1cc(ccc1Br)CN(n2cnnc2)c3ccc(cc3)[N+]([O-])=O	10880
+c1cc(ccc1Br)Cn2ccnc2	371
+c1cc(ccc1CC(CO)C)Br	21
+c1cc(ccc1Br)CC(C(O)=O)C	3
+c1cc(ccc1Br)CCCO	21
+c1cc(ccc1CCc2ccccc2CO)Br	217
+c1cc(ccc1CCc2c(cccc2)CCN)Br	51
+c1cc(ccc1Br)CN(n2cnnc2)c3ccc(cc3)N	0
+c1cc(ccn1)-c2ccc(cc2)CN3C(C(OC)=CC=C3)=O	498
+CC(C)CC(C(=O)O)NCc1ccc(cc1)Br	4
+c1cc(ccc1Br)COCC(C)CO	95
+c1cc(ccc1C2CCC(c3ccc(cc3)[N+]([O-])=O)N2c4ccc(cc4)Br)[N+]([O-])=O	10881
+c1cc(ccc1Br)N2C(=O)NN=C2CC3CN(CC3)C(=O)C4CC4	2585
+c1cc(ccc1Br)NC(c2cc(N)c(NCCN(C)C)cc2)=O	0
+c1ccccc1-c2[nH]c3ccc(Br)cc3c2CCCCC	1150
+c1cc(ccc1C(Oc2ccc(cc2)Br)CCCCCC)C(=O)OC	20
+c1cc(ccc1Cc2cc(ccc2O)Br)F	4669
+c1cc(ccc1C=2S(=O)c3cc(ccc3C=2Oc4ccc(cc4)Br)OC)OC	10882
+c1cc(ccc1Br)OCc2cnc(OC)cc2	20
+c1cc(ccc1Br)OC(C)CN	15
+c1c(cc(CC(=C)C)c(c1)O)Br	1625
+c1cc(ccc1Br)OCc2csc3c(cnc(N)c23)C(NCCCOCC(CO)O)=O	265
+c1cc(ccc1Br)Oc2c(cc(c(C)c2)N)C	0
+c1cc(ccc1-c2cc3OCOc3cc2-c4ccc(cc4)F)S(=O)(=O)N	11
+c1cc(ccc1Nc2nn(-c3ccccc3)cc2C(N)=O)S(=O)(=O)N4CCOCC4	781
+c1cc(ccc1-c2ccc(cc2)C)S(=O)(=O)Nc3cc(no3)C	11
+c1cc(ccc1S(=O)(=O)n2c(CO)cc3ccccc23)Br	194
+c1cnccc1-n2c(ccn2)-c3ccc(cc3)C#Cc4ccc5c(n4)cccc5	10883
+c1cc(ccc1C(C)C(=O)NCC)C#Cc2cnc(nc2)Cl	10884
+c1cc(ccc1C#Cc2nc(ncc2)Cl)F	838
+c1cc(ccc1C#Cc2ccc(cc2)OC)C(C(NCC)=O)C	129
+c1cc(ccn1)C#Cc2ccc(cc2)OC	4809
+c1cc(ccc1C#Cc2ccc(cc2)OCCCCCC)OCCCCCC	129
+c1cc(ccc1Cl)-c2cnc(C#Cc3ccc(cc3)OCCO)cn2	5031
+c1cc(ccc1C#C)CCCCC	2110
+CC1(C)CCC(C)(C)c2ccc(cc12)CC#Cc3ccc(cc3)C(=O)O	10885
+c1cc(ccc1CCCCCCCOC)C2CCC(C2)(N)C(=O)OC	213
+C1CCCCCN1CCCOc2ccc(cc2)CCCCO	213
+c1cc(ccc1CCCO)C(OC)=O	213
+c1cc(ccc1C#CCOS(=O)(=O)c2ccc(cc2)C)Cl	2390
+c1cc(ccc1C#Cc2cc(F)ccc2)C(=O)O	6
+c1cc(ccc1C(=O)O)C#Cc2cc(c3OC(C)(C)CC(C)(C)c3c2)C4CC4	6
+c1cc(ccc1C#Cc2cc(CO)c3c(c2)C(C)(C)CC(C)(C)O3)CC(=O)OC	41
+c1cc(ccc1C#Cc2ccc(cc2)CN3CCOCCC3)C(N(C)C(C)(C(=O)NO)C(NC)=O)=O	792
+c1cc(ccc1CCCC)C#Cc2ccc(cc2)C(=O)O	1
+c1cc(ccc1C#Cc2ccc(cc2)CN3CCOCCC3)C(=O)O	6
+c1cc(ccc1C#N)-c2ncc(N)nc2-c3ccc(cc3)C	696
+c1cc(ccc1-c2ccc3C4C(N(c5ccccn5)N=C4CCc3c2)=O)C#N	2472
+c1cc(ccc1CC=O)-c2ccc(cc2)C#N	1292
+c1cc(ccc1C#N)-c2cnc3cnc(-c4ccc(cc4)C(=O)O)cn23	6
+c1cc(ccc1-n2c(cnc2)CO)C#N	874
+c1cc(ccc1C#N)-n2nc(c(CO)c2C)C	10886
+c1cc(ccc1C#N)-n2c(C)c(c(n2)C)COc3ccccc3C	20
+c1cc(ccc1C#Cc2cc(F)ccc2)C#N	455
+C1CC(CCC1)Cn2c3c(nc2-c4c(cc(cc4)Cl)CCc5ccc(cc5)C#N)cccc3	1702
+c1cc(ccc1C(NCc2ccc(cc2)N3C(=O)OC(C(O)=O)C3)=O)C#N	93
+c1cc(ccc1C#N)-c2nc(no2)-c3ccc(cc3)-c4ccc(cc4)OCCCC(=O)O	2304
+c1cc(ccc1C#N)-c2nnc(C(Nc3c4c(cccc4)c(C#N)cc3)C(C)O)o2	877
+c1cc(ccc1C2OC2)C#N	3146
+c1cc(ccc1C#N)-c2nc3ccc(cn3c2)I	440
+c1cc(ccc1C(n2cncc2)CCN)C#N	18
+c1cc(ccc1Cc2ccc(cc2)OC)C#N	452
+c1cc(ccc1C#N)C2C(=O)N(c3ncc(C(=O)NCCCn4cccn4)cc3)N=C2	56
+c1cc(ccc1C#N)-c2c(cc(O)nn2)C	10887
+c1cc(ccc1CCC(OCC)=O)C#N	159
+c1cc(ccc1COc2c(c(cnc2C)CNc3ccc(cc3)C#N)CO)C#N	483
+c1cc(ccc1C#N)CN(C2C(NCCCC2)=O)S(=O)(=O)c3ccc(cc3)Cl	3544
+c1cc(ccc1C#N)CCC(C=Cc2c(cccc2)OCCCCCc3ccccc3)CCCCC(OCC)=O	8
+c1cc(ccc1CCC(CCCCC(OCC)=O)C=O)C#N	24
+c1cc(ccc1C)S(=O)(=O)OCCc2ccc(cc2)C#N	36
+c1cc(ccc1OCCc2ccc(cc2)C#N)C=O	262
+c1ccccc1S(=O)(=O)Nc2cc(ccc2)OCCc3ccc(cc3)C#N	69
+c1cc(ccc1C#N)CCOc2cc(N)ccc2	0
+c1cc(ccc1F)S(=O)(=O)NCc2ccc(cc2)C#N	71
+c1cc(ccc1CN)CNC(N2CCN(CC2)C(=O)CNC(=O)OCc3ccccc3)=O	107
+c1cc(ccc1C#N)Cn2c3c(F)cccc3c(C(O)=O)n2	1
+c1cc(ccc1C#N)Cn2nc(N)cc2	161
+c1cc(ccc1Nc2ccc(cc2)C#N)OC	275
+c1cc(ccc1OC)Sc2ccc(cc2)C#N	815
+c1cc(ccc1C#N)-n2nccc2	926
+c1cnccc1Oc2ccc(cc2)C#N	754
+c1cc(ccc1NC(Nc2ccc(cc2)C#N)=S)NNC=O	773
+c1cc(ccc1N(C)C(=O)c2cn3c(cnc3cn2)Br)C#N	10888
+c1cc(ccc1C)S(=O)(=O)OCCCNc2ccc(cc2)C#N	36
+c1ccccc1N(C(C2CCc3c(c4cc(ccc4[nH]3)C#N)C2)=O)C	518
+c1cc(ccc1C#N)Nc2cc(C)nc(C)c2N	13
+c1cc(ccc1C#N)Nc2ncc(C(O)=O)c(NCCC)n2	6
+o1c2c(c3cc(C#N)ccc13)cc(F)c(OC)c2	5082
+c1cc(ccc1OC)CCN(S(=O)(=O)c2ccc(cc2)C#N)CCC(=O)OC	92
+c1cc(ccc1C(=COC(F)F)C(NCCc2cc(OC)c(O)cc2)=O)Cl	16
+C1CCCCC1C(C(=O)O)NC(=O)C(C(NCc2ccccc2)=O)Cc3ccc(cc3)C(=N)N	4
+c1cc(ccc1-c2nc3c([nH]2)cccc3)-c4nc(-c5ccc(cc5)Cl)on4	2185
+c1cc(ccc1S(=O)(=O)ON=C(c2ccc(cc2)F)C#N)C	3643
+c1cc(ccc1CCO)-c2nc(on2)-c3c(CCC)c(on3)-c4ccccc4	10889
+c1cc(ccc1Oc2ncccc2)-c3nc(on3)-c4ccc(cc4)OCc5ccccc5	2304
+c1cc(ccc1C)C(=O)C(Nc2c(cccc2)-c3cc(c(cc3)OC)OC)=O	2678
+C1CC(CCN1C(=O)C)c2oc(-c3ccc(cc3)F)c(n2)CO	10890
+c1cc(ccc1C(=O)C(OCC)=O)Nc2ncccc2N	13
+c1cc(ccc1-n2cncn2)C(C)=O	4998
+c1cc(ccc1C(O)C)Oc2c([N+](=O)[O-])cc(cc2)Cl	74
+c1cc(ccc1Oc2cc(-c3ccc(-c4nccs4)[nH]3)cc(c2)OC(COC)C)C(C)O	74
+c1cc(ccc1[N+](=O)[O-])C=2Oc3c(cc(cc3)Br)C(=O)C=2	3166
+c1cc(ccc1[N+](=O)[O-])C2=CC(c3c(ccc(c3)OC)O2)=O	3166
+c1cc(ccc1C(C=2C(N(c3nnc(cc3)C)C(C=2O)=O)c4ccc(cc4)N5CCN(CC5)CCN(C)C)=O)C(C)C	4716
+c1cc(ccc1O)C(c2ccc(cc2)O)=C(CC)c3ccc(cc3)OCC(OCC)=O	1051
+CC(C)=CCCC=1CCC(CC=1)CCc2ccc(cc2)OC	165
+c1cc(ccc1CCCC(O)=O)CC(NC(=O)C)C	165
+c1cc(ccc1N)C(=O)CCC(O)=O	106
+c1cc(ccc1CCCC(=O)O)SC	165
+c1cc(ccc1C(=O)O)C(CCC)=O	1
+c1cc(ccc1Sc2ccccc2)CCCC	165
+c1cc(ccc1-c2c(CCC(=O)O)c3cc(Cl)ccc3[nH]2)Cl	1150
+c1cc(ccc1O)CCCCCCCCCCCC	165
+c1cc(ccn1)NC(c2ccc(cc2)C(=O)CNC(OCc3ccccc3)=O)=O	50
+c1ccccc1CN2C(=NC3=C(C2=O)CCCN3)C(N(C(=O)c4ccc(cc4)Br)CCN(C)C)CC	115
+c1ccccc1CN2C(=O)C=3CCCC=3N=C2C(N(CCN(C)C)C(=O)c4ccc(cc4)Br)CC	115
+c1cc(ccc1CCl)C(Nc2cc(ccc2C)Nc3nc(-c4cccnc4)ccn3)=O	50
+c1cc(ccc1C2(CCN(C2)Cc3ccccc3)C)NC(c4ccc(cc4)Cl)=O	50
+c1cc(ccc1Cl)C(Nc2ccc(cc2)Cc3c4c(n(c3C)CC(OCC)=O)cccc4)=O	50
+c1cc(ccc1Cl)C(Nc2ccc(cc2)Cn3nc(c4ccccc34)CC(=O)OCC)=O	50
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+c12c(CC(C1)NC(=O)c3ccc(cc3)F)cccc2	93
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+c1ccccc1COc2nn3c(CN(C(=O)c4ccc(cc4)F)CC3)c2	115
+c1cc(ccc1C(Nc2cnc(cc2)OCC(OC)=O)=O)F	660
+c1cc(ccc1C(=O)N2c3ccccc3CCc4ccccc4C2)NC(c5c(cccc5)C)=O	448
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+c1cc(ccc1[N+](=O)[O-])C(=O)Nc2scc(COc3ccc(cc3)CCCCn4ccnn4)n2	548
+c1cccc2-c3ccccc3C(c12)COC(=O)NCCOC(=O)c4ccc(cc4)[N+](=O)[O-]	279
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+c1cc(ccc1CCCl)CO	611
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+c1cc(ccc1CNC(OCc2ccccc2)=O)C(=O)Nc3ccccc3N	67
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+c1cc(ccc1)Nc2ccc3ccc(NC(c4ccc(cc4)OC)=O)nc3n2	650
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+[O-][N+](OCCCCO)=O	2118
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+c1cc(ccc1CC)Cc2cc(Br)c(OC)cc2Cl	394
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+c1cc(ccc1Cl)C(C#N)(Cn2cncn2)CCCCCCCCCCCN3CC(C)OC(C)C3	10893
+c1cc(ccc1N)C(CC2CCCC2)C(=O)Nc3sccn3	0
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+c1c2c(ccc1)Sc3c(cccc3)C2CC(=O)c4ccc(cc4)C#N	10894
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+c1ccccc1CC2CCN(CC2)C(C(O)c3ccc(cc3)N)COc4ccccc4	0
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+CC(C)(c1ccc(cc1)Nc2c3cc(Br)ccc3ncc2N)C#N	13
+c1cc(ccc1-c2ccco2)C(C)(C)CO	21
+CC(C)(c1ccc(cc1)F)CCC(=O)OCC	783
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+CC(C)(CC(OC)=O)c1ccc(cc1)C(Nc2nc3cc(C)nn3c(-c4ccccc4)c2)=O	330
+c1cc(ccc1C(C)=C(CO)C)C(C)(C)CC	2947
+CC(C)(CO)c1ccc(cc1)F	88
+c1cc(ccc1I)C(NOC)C	10895
+c1cc(ccc1C(C)C)C(CBr)=O	380
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+c1cnccc1-c2ccc(cc2)C(C)C(NCC)=O	2036
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+c1cc(ccc1C(C)C)C2COc3c(c(c(c(C)c23)NCc4ccccc4)C)C	250
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+C1CC(CCN1C)C(O)c2ccc(cc2)Cl	74
+c1cc(ccc1-c2cn3cc(ccc3n2)C)Br	440
+c1cc(ccc1C(CBr)O)NC(=O)C	74
+c1cc(ccc1OCCC)C(=O)Cn2cncn2	10898
+c1cc(ccc1C2=C(COC2=O)c3ccc(cc3)S(=O)(=O)C)-c4cscc4	10899
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+c1cc(ccc1OC)C(OC)CC=CC=CC(Nc2ccccc2N)=O	1259
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+c1cc(ccc1C(CCCCN2CC(C)NCC2)c3cnccc3)F	215
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+c1cc(ccc1-c2cc3cccc(Cl)n3n2)F	3169
+c1cc(ccc1C(Nc2ccc(cc2)Cl)=O)C=O	50
+c1cc(ccc1OCC(OCCCC)=O)C(Nc2c(Sc3ccccc3-c4[nH]nnn4)cccc2)=O	50
+c1cc(ccc1OCCCCCC)C(Nc2c(cccc2)Oc3cccc(OC(c4[nH]nnn4)C)c3)=O	50
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+C(C)N(CC)C(c1ccc(cc1)C(CCO)c2cccc(OC)c2)=O	21
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+c1cc(ccc1CN)-c2ocnc2	162
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+c1cc(ccc1C(N2CC(C(C)O)CC2=O)C)OC	100
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+c1cc(ccc1OCCCCCCCCCCCCCC)CNc2ccccc2	162
+c1cc(ccc1N)C(=O)Nc2ccccc2CCC3N(C)CCCC3	0
+c1cc(ccc1-c2c3c(N)nccn3c(C4NCCC4)n2)C(Nc5ccccn5)=O	62
+C1CCC(C1)c2ccc(cc2)C(=CC(=O)OCC)C	10907
+c1cc(ccc1N2CCOCC2)NC(c3ccc(cc3)-c4csc(n4)C(OCC)=O)=O	67
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+c1cc(ccc1Oc2ccccc2)NC(=O)CN3CCN(CC3)C(c4ccc(cc4)C(OC)=O)=O	30
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+c1cc(ccc1Nc2nc(-c3cn[nH]c3-c4cc(ccc4)OCc5ccccc5)ccn2)C(O)=O	55
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+c1cc(ccc1O)-c2oc3c(cccc3)n2	1328
+c1cc(ccc1CO)S(=O)(=O)NC	49
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+c1cc(ccc1C2CC(CO2)O)Cl	850
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+c1cc(ccc1C(O)CCC)CO	41
+c1cc(ccc1C)C2c3c(cc(Br)cc3)CN(C2)C	5057
+c1cc(ccc1C(O)CN(C)Cc2sc3C(=O)C(=CN(c3c2)C)C(=O)NCc4ccc(cc4)Cl)NC(=O)C	822
+c1cc(ccc1CC)Cc2ccccc2OC	452
+c1cc(ccc1Cc2cc3c(OCC3)c(Br)c2)F	452
+c1cc(ccc1Br)C(c2c(OC)ccc(c2)Br)=O	335
+c1cc(ccc1C(c2c(nccc2)F)=O)F	814
+c1cc(ccc1CC=O)C(OC(C)C)=O	24
+c1cc(ccc1-c2ccc(cc2C)N3C(CCC3)=O)C(OC)=O	2795
+c1cc(ccc1C(OC)=O)-c2c(nc(cc2)N3CCCC3=O)C	10908
+c1cc(ccc1-c2ccc(cc2C)N3C(=O)NCC3)C(OC)=O	1760
+c1cc(ccc1C(=O)O)-c2cnc(cc2)C#N	1
+c1cc(ccc1CO)-c2ocnc2	98
+c1cc(ccc1C(=O)O)-c2oc(nn2)-c3c(noc3C)-c4ccccc4	1
+c1cc(ccc1C(O)=O)-c2ocnc2C	1
+c1cc(ccc1C(=O)O)C#CBr	1
+c1cc(ccc1C(=O)N2CCN(CC2)c3c(cccn3)NC(C)C)C(=O)O	1
+C1CN(CCN1C(=O)c2ccc(cc2)C(OC)=O)c3c(N)cccn3	13
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(O)=O	1
+c1cc(ccc1CC(CCCCC#N)C=Cc2c(cccc2)O)C(=O)OC	3170
+c1cc(ccc1C(OC)=O)CC(CCC2(CC2)CC(=O)OCC)CO	21
+c1cc(ccc1CC(C=Cc2ccccc2O)CCC3(CC3)CC(OCC)=O)C(=O)OC	3170
+c1cc(ccc1C(OC)=O)CC(CCC2(CC2)CC(=O)OCC)C=O	24
+c1cc(ccc1CC(CCCCC#N)CO)C(OC)=O	21
+c1cc(ccc1OC)Cn2nnc(-c3cc(C(=O)NCc4ccc(cc4)C(OC)=O)ccc3)n2	93
+c1ccccc1S(=O)(=O)NCc2ccc(cc2)C(OC)=O	71
+c1cc(ccc1Cc2ccc(cc2)-c3occn3)OCCN(Cc4ccc(cc4)C(O)=O)CCN5CCOCC5	1
+c1cc(ccc1C(O)=O)CNC(N2C(C)CN(c3ccc(c(Cl)c3)C#N)C(C)C2)=O	1
+c1cc(ccc1C(OC)=O)CNc2nc(nc(Cl)n2)NC3Cc4c(C3)cccc4	387
+c12c(cccc1)CC(C2)Nc3nc(nc(NCc4ccc(cc4)C(O)=O)n3)N	1
+c1cc(ccc1Cc2ccc(cc2)C(=O)O)CN3CCOCC3	1
+c1cc(ccc1C(=O)OC)NC(c2oc3c(cc(cc3)OC)c2C)CCCCOC	5070
+CCC(CC)C(Nc1ccc(cc1)C(=O)O)c2c(c3c(s2)cccc3)C	1
+c1cc(ccc1C(OC)=O)SC(c2ccccc2OC)Cn3ccnc3	10909
+c1cc(ccc1C(=O)O)SC(c2c(cccc2)O)Cn3cncc3	1
+c1cc(ccc1C(OC)=O)SC(c2c(cccc2)O)Cn3cncc3	5
+c1cc(ccc1C(CC=CC=CC(O)=O)OC)OC	108
+CC(C)Oc1c(C#N)cc(cc1)-c2noc(-c3ccc(cc3)C=O)n2	1054
+C1CC1NCCCOc2c(-c3ccc4C(C)(C)CCC(C)(C)c4c3)cc(-c5ccc(cc5)C(O)=O)cc2	6
+CC1(C)CCC(C)(C)c2cc(ccc12)-c3c(OCCCNC)ccc(-c4ccc(cc4)C(O)=O)c3	6
+c1cc(ccc1-c2ccc(cc2)C(O)=O)COC	6
+c1cc(ccc1-c2ccccc2Cl)C(=O)O	6
+O=S(=O)(N1CCOc2c1cc(C(Nc3ccc(cc3)C(O)=O)=O)cc2)c4c(OC)ccc(Cl)c4	6
+c1cc(ccc1NCCOc2c3c(ccc2)cccc3)C(=O)O	6
+c1cc(ccc1OCCOCCOC)CO	217
+c1cc(ccc1Oc2ccccn2)C(=O)O	6
+c1cc(ccc1C(=O)O)C(Oc2ccc(cc2)Br)CCCCCC	1
+c1cc(ccc1CBr)Cc2cc(Br)ccc2Cl	394
+c1cc(ccc1Cc2cc(Br)ccc2Cl)CCOC(C)=O	394
+FC(F)COc1ccc(cc1)Cc2cc(ccc2Cl)Br	394
+c1cc(ccc1O)C(c2c3ccccc3[nH]c2)=O	5
+c1cc(ccc1O)C(c2cc(Br)c(cc2)OCCBr)=C(c3ccccc3)CC	1051
+c1cc(ccc1C(=O)O)C(c2cc(OC)c(OC)cc2)=O	1
+c1cc(ccc1C(c2cc(OC)c(c(c2)OC)OC)O)OC	488
+c1(cc(cc(OC)c1OC)Cc2ccc(cc2)OC)OC	452
+c1cc(ccc1Br)C(=O)c2ccc(O)c(F)c2	5
+c1cc(ccc1C(CC(O)=O)c2ccc(cc2)Cl)Br	3
+c1cc(ccc1C(c2ccc(cc2)Cl)N3CC(C3)C(c4cc(F)cc(c4)F)C(C)=O)Cl	86
+c1cc(ccc1F)C2(c3ccc(cc3)F)C(=O)NCC2	10910
+c1cc(ccc1F)C2(c3ccc(cc3)F)CCCNC2=O	5058
+c1cc(ccc1F)C(c2ccc(cc2)F)=Cc3n(nnn3)C	10911
+c1cc(ccc1C(c2ccc(cc2)F)=C(n3cnnn3)CO)F	5083
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(C=O)n3cnnn3	5076
+c1cc(ccc1F)C(c2ccc(cc2)F)CCO	44
+c1cc(ccc1C(c2ccc(cc2)F)CCCCC(=O)N3CCNCC3)F	2
+c1cc(ccc1F)C(c2ccc(cc2)F)CCCCCN3CCN(CC3)CCOc4cc(c(OC)cc4)OC	15
+c1cc(ccc1C(c2ccc(cc2)O)=C(CC)c3cccc(OCCCCO)c3)O	44
+c1cc(ccc1C(c2ccc(cc2)O)=C(c3ccc(cc3)OCC(=O)O)CCCC)O	3
+c1cc(ccc1C(c2ccc(cc2)O)=C(CC)c3cccc(OCC(=O)O)c3)O	3
+c1cc(ccc1C(c2ccc(cc2)OC)(c3ccccc3)OCc4cc(CN)ccc4)OC	107
+c1cc(ccc1C(=O)c2ccc(cc2)[N+]([O-])=O)O	5
+c1cc(ccc1Cl)C(O)c2cc3c(cc(nc3cc2)O)-n4cncc4	488
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)(c3cc4c(cc3)nccc4Br)O	10912
+c1cc(ccc1C(c2ccc3c(c(cc(n3)O)-n4cncc4)c2)=O)Cl	10913
+c1cc(ccc1)C(=CC(NCCCCCCCCCC)=O)c2ccc(cc2)N	0
+CC(C)c1ccc2c(C(c3ccccc3C2=O)=O)c1	358
+c1cc(ccc1Cl)C(O)c2ccccc2Cl	488
+C1CNCCC1=C(c2cccnc2)c3ccc(cc3)F	215
+c1cc(ccc1C(c2n(c(C(OCC)=O)cc2C)CC)O)CCl	5084
+c1cc(ccc1CCl)Cc2c(cc(C(OCC)=O)n2CC)C	3156
+c1cc(ccc1C(c2sc(S(=O)(=O)N)cc2)=O)O	5
+c1cc(ccc1C)-c2c(c(CC(C)C)nc3c2cc(OCCO)cc3)C#N	59
+c1cc(ccc1C)-c2c(cccc2)C(Nc3ccc(cc3)C(N(C)c4c(cccc4)C=O)=O)=O	39
+c1cc(ccc1N)Nc2c3c(ccc2)nc(-c4ccc(cc4)C)c(n3)-c5ccc(cc5)C	0
+n1cc(cnc1OCCOc2ncnc(N)c2-c3ccc(cc3)C)Br	482
+c1cc(ccc1C)-c2cc(-n3nnnc3)cc(C(O)=O)c2	1
+c1cc(ccc1-c2cc(cc(N)c2)C(OC)=O)C	0
+c1cc(ccc1C)-c2cc(cc(C(O)=O)c2)-n3c(C)nnn3	1
+c1cc(ccc1-c2n3c(c4ccccc4n3)nc(C)c2C(CCC)C(=O)O)C	4
+c1cc(ccc1C)-c2c(nc3cccc(c3n2)Nc4ccc(cc4)[N+](=O)[O-])-c5ccc(cc5)C	4483
+c1cc(ccc1C)-c2nc3cccc(c3nc2-c4ccc(cc4)C)N	13
+c1cc(ccc1C)-c2oc(C)c(n2)Cc3cccc(CO)c3	41
+c1cc(ccc1C)-n2c(NC(=O)Oc3ccccc3)cc(C(C)(C)C#C)n2	278
+c1ccccc1-c2c(-c3ccc(cc3)C)nc4cccnc4n2	2235
+c1cc(ccc1-n2cc(cn2)[N+](=O)[O-])C	1158
+c1cc(ccc1C)C(O)C(Nc2c(Cl)nccc2)=O	5085
+c1cc(ccc1C)C(O)C(=O)Nc2c(-c3cc(OC)c(cc3)OC)cccc2	5085
+c1cc(ccc1F)-c2scc(n2)-c3ccc(cc3)C	1741
+c1cc(ccc1C(Nc2ccc(cc2)C(=O)CCC(OC)=O)=O)C	50
+c1cc(ccc1C)-c2nnc(o2)CCl	1705
+c1cc(ccc1Cc2c(C)cc(cc2)OC)C	394
+c1cc(ccc1C(O)CN(Cc2cc(ccc2)Br)C)C	74
+c1cc(ccc1C)C=Cn2c3c(c4CN(C)CCc24)cccc3	10914
+c1ccccc1CNc2c(c3c(c(C)c2C)OC(C)(C)C3c4ccc(cc4)C)C	250
+c1cc(ccc1C)C2N(CCC2)c3nc(cc(n3)C(O)=O)Nc4sc(C#N)cn4	1
+c1cc(ccc1Cl)CC(NN2N=C(c3ccccc3C2=O)c4ccc(cc4)C)=O	2487
+c1cc(ccc1C)CC(C(OCC)=O)OCC	10915
+c1cc(ccc1CC(CO)OCC)C	44
+c1cc(ccc1CC(C)(C)N)C	2886
+c1cc(ccc1CC2(CCCN(C(=O)C)C2)C=O)C	24
+c1cc(ccc1C)CC2=Nn3c(C(N2)=O)c(C)nc3C(C(C)O)CCCCC	5064
+c1cc(ccc1S(=O)(=O)OCCCc2ccc(cc2)C)C	36
+c1cc(ccc1CCOS(=O)(=O)c2ccc(cc2)C)C	36
+c1cc(ccc1C)CC2=NC(c3c(C)nc(C(CCCCC)C(=O)C)n3N2)=O	3164
+c1cc(ccc1C)Cc2nc(c(C(N)C)nn2)O	524
+c1cc(ccc1NC(=O)NC2(c3c(cccc3)N(C2=O)CC(OCC)OCC)CC(=O)Nc4ccc(cc4)C)C	33
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2)C)F	69
+c1cc(ccc1C)N(N)CCc2cnc(Cl)cc2	1651
+c1cc(ccc1C)NS(=O)(=O)Nc2c(-c3ccc(cc3)C)c(Cl)ncn2	570
+c1cc(ccc1Oc2ccc(cc2)C)C=O	46
+c1cc(ccc1Oc2ccc(cc2)C)[N+]([O-])=O	46
+c1cc(ccc1C)OCCNCC	15
+c1cc(ccc1Oc2c(cc(cc2)C)CO)C	49
+c1cc(ccc1Sc2nc(ncc2)Cl)C	1124
+O=S(=O)(Nc1c(C(=O)OC)cc(cc1)Oc2cc(C)c(cc2)NS(=O)(=O)c3ccc(cc3)C)c4ccc(cc4)C	69
+c1cc(ccc1N(C)C)C=Cc2ccc(OCCOCCOCCOS(=O)(=O)c3ccc(cc3)C)nc2	36
+c1cc(ccc1NC(=O)C)CCCCOS(=O)(=O)c2ccc(cc2)C	36
+O=S(=O)(c1ccc(cc1)C)OCCc2ccc(cc2)-c3cc4c(CN(CC4)C(=O)COC(C)=O)cc3	36
+c1cc(ccc1CCOS(=O)(=O)c2ccc(cc2)C)Br	36
+c1cc(ccc1C)S(=O)(=O)OCCc2ccc(cc2)F	36
+c1cc(ccc1[N+]([O-])=O)CCOS(=O)(=O)c2ccc(cc2)C	36
+c1cc(ccc1CNc2oc(-c3cc4c(cc3)n(S(=O)(=O)c5ccc(cc5)C)cc4I)nn2)OC	367
+c1cc(ccc1S(=O)(=O)NCC(CC(=O)Nc2ccccc2)c3ccc(cc3)Cl)C	71
+c1cc(ccc1S(=O)(=O)N2C(c3ccc(cc3)F)CCC2C(OC)=O)C	1387
+c1cc(ccc1C)S(=O)(=O)Nc2c(NC(=O)Nc3ccc(cc3)F)cccc2	69
+c1cc(ccc1C)S(=O)(=O)OCCOc2cc3nc(cnc3cc2)-c4ccc(cc4)N(C)C	36
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2)F)C	69
+c1cc(ccc1Nc2nc(-c3ccccc3)c(cn2)C#N)OCCOS(=O)(=O)c4ccc(cc4)C	36
+c1cc(ccc1O)CCOS(=O)(=O)c2ccc(cc2)C	36
+c1cc(ccc1OC)CCCCOS(=O)(=O)c2ccc(cc2)C	36
+c1cc(ccc1OC)Cn2nc3c(c2)-c4c(CCN3CCOS(=O)(=O)c5ccc(cc5)C)sc(Nc6ncc(cn6)F)n4	36
+c1cc(ccc1C)S(=O)(=O)OCCCOc2ccc(cc2)-c3cn4cc(ccc4n3)Br	36
+c1cc(ccc1C)S(=O)(=O)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	36
+c1cc(ccc1S(=O)(=O)OCC2CCc3c(C2)ccc(C4CC5(COC(=O)N5)CC4)c3)C	36
+c1cc(ccc1S(=O)(=O)OCC2CCc3ccc4c(NC(=O)N4)c3O2)C	36
+O=S(=O)(c1ccc(cc1)C)n2cccc2	917
+O=S(=O)(c1ccc(cc1)C)OC(C)CCOc2cc(ccc2)CC(=O)OC	36
+c1cc(ccc1S(=O)(=O)OCCC2c3c(CCC=4CC=CCC2=4)cccc3)C	36
+c1cc(ccc1C)S(=O)(=O)OCC(N2C(c3c(cccc3)C2=O)=O)C	36
+O=S(=O)(OCC1Oc2c(cccc2)OC1)c3ccc(cc3)C	36
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCOCCOS(=O)(=O)c4ccc(cc4)C	36
+c1cc(ccc1C)S(=O)(=O)OCC2C(NC(Cc3ccccc3)=O)C(N2Cc4c(OC)cc(cc4)OC)=O	36
+c1ccccc1CCOCCOS(=O)(=O)c2ccc(cc2)C	36
+c1ccccc1CNC2C(C)CC(COS(=O)(=O)c3ccc(cc3)C)CC2	36
+c1cc(ccc1)COC(=O)N2CCC(NC(OCc3ccccc3)=O)C2COS(=O)(=O)c4ccc(cc4)C	36
+c1cc(ccc1S(=O)(=O)NCC2=CC(C(=CO2)OCc3ccccc3)=O)C	2422
+c1cc(ccc1C)S(=O)(=O)OCC(COCc2ccccc2)CC	36
+c1cc(ccc1S(=O)(=O)OCC2CC=CCC2COCc3ccccc3)C	36
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCCOCCOCCOCc2ccccc2)C	36
+O=S(=O)(c1ccc(cc1)C)OCC(Cc2c(OCc3ccccc3)c4CCCc4cc2Cl)O	36
+O=S(=O)(c1ccc(cc1)C)OC(C)CCOc2ccccc2	36
+c1cc(ccc1S(=O)(=O)OCCC2CC2C3CCN(CC3)c4ncc(cn4)Cl)C	36
+O=S(=O)(c1ccc(cc1)C)OC(Cc2nc3c4c(c(ccc4)OC)nc(n3n2)NCc5ccc(OC)cc5OC)C	36
+c1cc(ccc1C)S(=O)(=O)OCC2OC(c3cc(Cc4sc(cn4)-c5occc5)c(cc3)Cl)C(O)C(O)C2O	36
+c1cc(ccc1S(=O)(=O)n2ncc3c(cc(Br)cc23)C#N)C	3123
+O=S(=O)(c1ccc(cc1)C)OC(CC=Cc2cncc(OC)c2)C	36
+O=S(=O)(c1ccc(cc1)C)OCCn2cc(cn2)I	36
+O=S(=O)(c1ccc(cc1)C)OCCn2ccnn2	36
+c1(cccc(-c2ccnc3n2ncc3C(=O)c4occc4)c1)NCC	2252
+c1cc(ccn1)CN2CC(C)(C)C(NC(=O)CC3N(S(=O)(=O)c4ccc(cc4)C)C=CNC3=O)CC2	48
+c1cc(ccc1-c2cc3NCC(C)N(C(C)=O)c3cn2)S(=O)(=O)C	2252
+n1ccn(c1)-c2ccc3OCCNCCOc3c2	2721
+c1cc(ccc1C)S(=O)(=O)N2CCOc3cc(ccc3OCC2)N	0
+c1cc(ccc1C)S(=O)(=O)N2CCc3c(C2)cc(C(O)=O)s3	6
+c1cc(ccc1C)S(=O)(=O)NCCc2ccccc2O	5
+c1cc(ccc1C)S(=O)(=O)Nc2c(C(OC)=O)cc(cc2)Oc3ccc(N)c(NCCCC)c3	0
+c1cc(ccc1C)S(=O)(=O)Nc2c(C(OC)=O)cc(Oc3cc(C)c(cc3)N)cc2	0
+c1cc(ccc1C)S(=O)(=O)Nc2ccc(cc2C(OC)=O)Oc3cc(c(N)cc3)OCCC	0
+c1cc(ccc1C)S(=O)(=O)OCC(CC)CO	118
+O=C1c2c(cccc2)C(=O)N1C(COc3c4c(cncc4)ccc3)C	267
+O=S(=O)(CC)NC1C(CCCC1)CSc2ccc(cc2)C(C)C	3138
+c1cc(ccc1S(=O)(=O)OCC2CCc3c(O2)c(cc(F)c3)Br)C	374
+c1cc(ccc1CC(C)(C(OCC)=O)OC)OCCC2=CN(Cc3ccc(cc3)C)C(N2CCC)=O	450
+c1cc(ccc1OC)CN2C(CN(Cc3cc(C)c(C)cc3)C2=O)CCOc4ccc(cc4)OC(C)(C)C(OCC)=O	267
+c12c(cccc1)C(=O)N(C2=O)CCCCC=C	2140
+c1cc(ccc1C(OCC)=O)OCCCCCC(OC)C	267
+c1cc2CCN(Cc2cc1)CCCCOc3cccc(Cl)n3	236
+c1cc(ccc1OCCC[Si](C)(C)CCCC)O	450
+C1CN(CCN1CCCc2c[nH]c3c2cc(OC)cc3)c4ccc(cc4)N5C(=O)c6ccccc6C=C5	236
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(nc4)c(C)c(-c6ccc(cc6)OCCCl)cc5	267
+c1cc(ccc1Cc2c(ccc(C3C(O)C(O)C(O)C(CO)O3)c2)Cl)OCCOCCF	450
+c1cc(ccc1CCSc2c(cccc2)N)C#N	3138
+c1cc(ccc1C)S(=O)(=O)OCCC2=CN(C(=O)N2CCC)Cc3ccc(cc3)C	1312
+c1cc(ccc1S(=O)(=O)OCc2ccc(cc2)OC(=O)C(C)=C)C	1312
+c1cc(ccc1C)S(=O)(=O)OCCC2N(C(N(Cc3cc(C)c(C)cc3)C2)=O)Cc4ccc(cc4)OC	1312
+C1C(CC1COS(=O)(=O)c2ccc(cc2)C)c3n4ccnc(N)c4c(-c5cc(OCc6ccccc6)ccc5)n3	1312
+C1CCCCN1CCOc2cc(ccc2Br)O	4963
+C1CC(CCN1Cc2c3c([nH]c(-c4c5c(cc(c(OC)c5)OC)n(c4)C)c3)ncc2)O	392
+c1cnc2[nH]c(-c3c4nc(OC)c(cc4n(C)c3)OC)cc2c1CNCCc5n(cnc5)C	392
+CC(C)c1c2c(ncc(c2)Br)[nH]c1	392
+c1cc(ccc1C)S(=O)(=O)n2c3c(cc2)c(ccc3)CN	817
+Clc1cnc2[nH]cc(-c3nc(c(cn3)F)NC4CN(CC(COC)O)CCC4)c2c1	392
+C1CC2(CCN1c3nc(OC)cc(n3)C)C(=O)N(Cc4c5c([nH]c4)cccc5)CCC2	5010
+O=S(=O)(n1ncc(c1)C=O)c2ccc(cc2)C	576
+C1(CNc2c(F)cnc(-c3c[nH]c4ncc(cc34)Cl)n2)CCCCC1N	392
+C1C(CC1)(C)C(CC(=O)OC)Nc2nc(ncc2F)-c3c[nH]c4ncc(cc34)F	392
+c1cc(ccc1C)S(=O)(=O)n2cc(CO)cn2	536
+O=S(=O)(c1ccc(cc1)C)n2c3c(cc2)n4c(cn3)nnc4C5C(CC)CC(C5)NC(C)=O	10916
+c1cc(ccc1C2(CN(Cc3ccccc3)CC2)C)N	15
+c1cc(ccc1C2(C(=O)NC(NC2=O)=O)N3CCN(CC3)c4ccc(cc4)N5C(=O)CCC5=O)-c6ccccc6	10917
+c1cc(ccc1C2(C(c3ccc(cc3OC2)OCOC)c4cccc(O)c4)C)OCOC	4250
+c1cc(ccc1OCc2cc3c(Br)csc3cc2)C4(CC(C4)=O)CC(OCC)=O	20
+c1cc(ccc1-c2csc(n2)N)C3(CC3)C(=O)O	4
+c1cc(ccc1C2(c3ccc(cc3)-c4noc(CO)n4)CC5CC2CC5)OCc6ncccc6	59
+C1CC(CCC1=O)(c2ccc(cc2)F)C#N	10918
+c1cc(ccc1CCNC(=O)C2(CCC2)c3ccc(cc3)Cl)OC	9
+c1cc(ccc1Cl)C2(CCC2)CN3CC(CCCC3)CO	15
+c1cc(ccc1N)C2(CCC2)c3ncco3	0
+c1cc(ccc1C2=CCC3(OCCO3)CC2)F	252
+C1CC(CCO1)(c2ccc(cc2)OCCCN3CCCC3)CO	95
+C1COCCC1(c2ccc(cc2)N)C(OC)=O	0
+C1CC(CCO1)(CCNCc2ccccc2)c3ccc(cc3)F	42
+c1cc(ccc1-c2c(Cl)cc3[nH]cc(C(OC)=O)c3c2)C4(COC4)CO	118
+c1cc(ccc1I)C(C=O)C	10919
+c1cc(ccc1C2(OCC(C)(C)CO2)CSCC(=O)N3C(c4ccccc4)COC3=O)C	2912
+c1cc(ccc1C2(OCC(C)(C)CO2)CSCC(=O)O)C	3
+c1cc(ccc1CC=C(C)C)C(C)=O	1367
+C1COC(O1)(C)c2ccc3noc(-c4ccccc4)c3c2	10920
+c1(cc(cc(Cl)c1OCCCC(=O)c2ccc(cc2)F)OCC=C(Cl)Cl)Cl	1367
+O1CCOC1(c2ccc(cc2)Cl)c3ccc4nc(cc(c4c3)-c5cccc(OC)c5)O	10921
+c1cc(ccc1C(O)=O)C2(SC(=NC(c3ccc(cc3)F)C)NC2=O)C	1
+c1cc(ccc1C2(c3ccc(cc3)F)CCCN(C2=O)CC(=O)O)F	3
+c1cc(ccc1C#N)C2(c3ccc(cc3)OCc4ncccc4)CC5CC2CC5	274
+c1cc(ccc1C=2CCCCC=2C)C(N3Cc4cccn4Cc5ccccc35)=O	610
+c1cc(ccc1-c2c(-c3ccncc3)c(O)nnc2)Cl	10922
+c1cc(ccc1C=2C(=O)N3C=Cc4c(ncn4C)C3=C(C(=O)O)C=2)OCc5ccccc5	127
+c1cc(ccc1C2=CC(=C3c4sccc4C=CN3C2=O)C(O)=O)OCc5ccccc5	127
+c1cc(ccc1F)C2CCC3(CC2)OCCO3	191
+c1cc(ccc1C2CCC3(CC2)OCCO3)OC	191
+c1cc(ccc1C=2NC(=O)ON=2)N	10923
+c1cc(ccc1-c2nnc(O)cc2)CCOC(=O)C	2566
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(O)=O)N	1
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(O)=O)NC(C(C)C)=O	1
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(=O)OC)N	0
+c1cc(ccc1N2C(=O)C=CC=N2)C3C(CN(C)C)C3	10924
+c1cc(ccc1C2C(c3c4c(c(O)nn3)cccc4N2)c5ccc(cc5)F)C=O	10925
+c1cc(ccc1C2Oc3ccc(O)cc3C(C)=C2c4ccc(Cl)c(F)c4)OCC(N5CCC(CF)C5)C	805
+C1CN(CCC12C(c3ccc(cc3)F)C(=O)NC2)Cc4ccccc4	1781
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)NS(=O)(=O)c4ccc(cc4)C(C)C	69
+c1cc(ccc1C(C)C)S(=O)(=O)Nc2ccc(cc2)C3CC4CN(CC34)CCC	15
+c1cc(ccc1Cl)C2CCCC(C2)C=O	1143
+C1C(=O)N(C(CC1c2ccc(cc2)N)=O)C	0
+c1cc(ccc1C2CC(=O)N(C2C(OCC)=O)C)N	0
+CC1(C)CC(c2ccc(cc2)Cl)c3c(cc(O)cc3)C1=O	5
+c1cc(ccc1CC(F)F)C2CC(C(O)=O)CN(C2)C(C)=O	4
+c1cc(ccc1C2CC(c3onc(CCOC)n3)CN(C(=O)Oc4ccc(cc4)[N+](=O)[O-])C2)CC(F)F	66
+c1cc(ccc1C2CC(NC(c3cc(c(cc3)F)OC)C)CC2)CC(O)=O	3
+c1cc(ccc1C2CC2C(=O)NCCCCCCCCCC)N	0
+c1cc(ccc1C(=O)O)C2CCC(=O)NC2	6
+c1cc(ccc1O)C2CCC(CC2)CC(=O)OCC	774
+c1cc(ccc1C2CCC(CC2)C(=O)O)NC(c3cc(Cl)c(Cl)cc3)=O	887
+c1cc(ccc1C2CCC(c3ccc(cc3)[N+]([O-])=O)N2c4ccc(cc4)-c5cnc(cc5)N6CCOCC6)N	0
+c1cc(ccc1C2CCC(c3ccc(cc3)N)N2c4ccc(cc4)-c5ccc(N6CCOCC6)nc5)N	0
+C1CC(CCC1c2ccc(cc2)OC)=O	97
+c1cc(ccc1C)C2N(c3nc(cc(n3)C(OC)=O)Nc4sc(C#N)cn4)CCC2	117
+C1CC(CCN1CC2CNCC2C3CC3)c4ccc(cc4)F	1569
+c1cc(ccc1)CN2CCC(c3ccc(cc3)F)C(C2)O	131
+C1CS(CCN1C(N2CC(c3ccc(cc3)OC(F)F)CC(C(O)=O)C2)=O)(=O)=O	4
+c1cc(ccc1C2CC(=O)N(C2)CC(O)=O)Cl	3
+c1cc(ccc1C)C(Cn2c3c(cccc3)c4CN(CCc24)C)O	2695
+c1cc(ccc1Cl)C2C(O)CCOC2	100
+c1cc(ccc1S(=O)(=O)n2nc(c(c2C)CCN3CCCC3c4ccc(cc4)C=CC(=O)OC)C)C	123
+c1cc(ccc1-c2nc(C)on2)C3OCCN(C3)C4=NC(c5ccncn5)=CC(=O)N4C	2803
+c1cc(ccc1F)C2CC(O)Cc3sc(Nc4cc(c(-n5cc(nc5)Cl)cc4)OC)nc23	100
+c1cc(ccc1C2CCCN3CCS(=O)(=O)N=C23)Oc4c(C)cccc4	2293
+O=S1(=O)CCN2CCCC(c3ccc(cc3)Oc4ccc(F)c(C)c4)C2=N1	2293
+c1cc(ccc1Oc2ccc(C)c(C)c2)C3CCCN4CCS(=O)(=O)N=C34	2293
+c1cc(ccc1CN)C=2C=CC(N(N=2)Cc3cc(NC(OCC)=O)ccc3)=O	107
+c1cc(ccc1Cl)-c2cc(ncc2)O	10926
+c1cc(ccc1-c2cc(O)nnc2)F	10927
+c1cc(ccc1Br)Oc2c(sc3cc(ccc23)OC)-c4ccc(cc4)OC	10928
+c1cc(ccc1[N+]([O-])=O)C2C(=C(NC(CCC)=C2C(OCc3ccccc3)=O)CCC)C(=O)OCCC#N	10929
+c1cc(ccc1C2C(C(c3ccccc23)=O)C(OCC)=O)O	10930
+c1cc(ccc1C=C(CO)C)C	10931
+c1cc(ccc1CCc2n3cncc3ccc2)C=C(C)C(O)=O	108
+c1cc(ccc1C(=O)O)CC(C)=O	4964
+CC(C)(c1ccc(cc1)C=C(CO)C)CC	2874
+C1CN(CCN1C(=O)C)c2ccc(cc2)C=Cc3cc(cc(-c4ccncc4)c3)Cl	722
+c1cc(ccc1C=Cc2cc(F)cc(-c3ccncc3)c2)N4CCN(CC4)C(=O)C	722
+c1cc(ccc1CC2SC(NC2=O)=O)OCCN(c3nc4ccccc4s3)C	534
+c1cc(ccc1-c2cc(ccc2)C(=O)O)C=C3SC(=O)NC3=O	6
+c1cc(ccc1CC2SC(NC2=O)=O)OCCc3ccc(cc3)C#N	534
+c1ccccc1CCSc2ccc(cc2)CC3SC(=O)NC3=O	534
+c1cc(ccc1COCC(=O)O)C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5	3
+c1cc(ccc1-c2cccc(c2)N(C(NCCCCCCC)=O)CC)CCC(=O)O	159
+c1cc(ccc1C=CC(=O)O)-c2cc(ccc2)N(C(NCCCCCCC)=O)CC	127
+c1cc(ccc1CCC(=O)OC)C	159
+c1cc(ccc1CCC(=O)OC)C(=O)O	159
+c1cc(ccc1CNc2ccc(cc2)C=CC(=O)OCC)C#CCCCCCCCC	208
+c1cc(ccc1CCC(c2cc(Cl)ccc2)=O)Cl	2301
+c1cc(ccc1Cl)CCC(=O)C(C)(C)C(C)C	1847
+c1cc(ccc1C=CC(C(CC=Cc2ccccc2C)(CCC(O)=O)c3ccccc3)=O)Cl	4
+c1cc(ccc1C#Cc2ncc(cc2F)-c3ccc(cc3)Cl)C=CCN4CCC(CC4)(C)O	129
+c1cc(ccc1F)CCc2ccc(F)cc2C#N	1442
+c1cc(ccc1C=Cc2cc(OCC(CCCC)CC)c(N)cc2OCC(CCCC)CC)C#N	0
+c1cc(ccc1C=Cc2cc(ccc2)-n3c(c(c(CC)n3)C(=O)O)CC)Cl	1
+c1cc(ccc1CCc2cc(F)cc(-c3ccncc3)c2)N4CCN(CC4)C(=O)C	1442
+c1(cc2c(ccc3ccc(OC)cc23)cc1)Br	5086
+c1(cc2c(ccc3c2cc(Cl)cc3)cc1)Br	5086
+C1CN(CCC1c2c[nH]c3c(C(=O)N)cc(-c4ccc(cc4)CNOC)cc23)S(=O)(=O)CC	1059
+c1cc(ccc1CNOC)F	1059
+c1cc(ccc1-c2cc(cc(c2)-c3ccccc3)C(NC)=O)C=O	11
+c1cc(ccc1-c2ccc(OCc3ccccc3)c(CN(C)C(CCCCCCC)=O)c2)C=O	11
+c1cc(ccc1C=O)-c2cc(ccn2)-c3n4c(nc3-c5nc(C)ccc5)ccc(c4)Cl	119
+c1cc(ccc1C=CC(=O)OC)C	10932
+c1cc(ccc1C#Cc2ccc(cc2)C(=O)OCC)C=O	129
+CC(C)C(C(=O)OC)C(=O)Nc1ccc(cc1)C#Cc2ccc(cc2)C=O	129
+c1cc(ccc1C#N)CN(Cc2ccc(cc2)C#N)CCCCN(CCC)CCC	48
+c1cc(ccc1C#N)-c2nc3c(cccc3)[nH]2	622
+C1CCCC1CC(=O)c2ccc(cc2)CO	41
+c1cc(ccc1C(=O)O)C=NNc2c3cnn(-c4ccccn4)c3ncn2	878
+c1cc(ccc1C(OC)=O)CN(CCOc2ccc(cc2)Cc3ccc(cc3)-c4occn4)CCN5CCOCC5	48
+c1cc(ccc1-c2nc3c(cccc3)[nH]2)C(OC)=O	622
+c1cc(ccc1C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5)CO	41
+c1cc(ccc1CO)C=O	41
+c1ccccc1-c2c(CC)sc(C(C=Cc3ccc(cc3)C=O)=O)c2	307
+c1cc(ccc1C=Cc2nc(N)nc(N)n2)C=O	10933
+c1cc(ccc1C=O)CCOC(=O)c2ccccc2	279
+c1cc(ccc1C=C)Cc2cc(ccc2Cl)Br	443
+c1cc(ccc1F)C=Nc2ccc(cc2)S(=O)C	457
+c1cc(ccc1Oc2ccc(cc2)C=O)-c3occn3	46
+c1cc(ccc1Oc2ccc(cc2)C=O)C#N	46
+c1cc(ccc1C(=O)OC)Oc2ccc(cc2)C=O	46
+c1cc(ccc1OC)-c2cc(Oc3ccc(cc3)C=O)ccc2	46
+c1cc(ccc1F)-c2ocnc2	2288
+c1cc(ccc1Oc2cccc(OCC=C)c2)C=O	46
+c1cc(ccc1C=O)OCCN(c2nc3ccccc3s2)C	57
+c1cc(ccc1Oc2c(c(CCCCC)cc3cc(OC)ccc23)-c4ccccc4)C=O	46
+c1ccccc1C(c2ccccc2)C3OCCC(NCc4ccc(cc4)F)C3	42
+c1cc(ccc1C=CCCCCCCCC(=O)O)F	5011
+c1cc(ccc1OCCN(c2ncccn2)C)C=O	57
+c1ncncc1Oc2ccc(cc2)C=O	3029
+c1cc(ccc1C2C(c3ccc(OC4CCCCO4)cc3OC2c5ccc(cc5)I)=O)F	10934
+c1cc(ccc1Oc2ncc(cc2)C(N)=O)C=O	136
+c1cc(ccc1C=CC=2N(C(=O)c3c(cccc3)N=2)c4ccc(cc4C)C#Cc5ccccc5)O	2066
+c1cc(ccc1C=C(C(c2ccccc2)=O)C(OCC)=O)O	10935
+c1cc(ccc1OCc2cscc2)C=O	20
+c1cc(ccc1CO)OC(C)C(=O)OC	41
+c1cc(ccc1OCC)CO	41
+c1cc(ccc1CO)OCCF	41
+c1cc(ccc1OCCOC)CO	41
+c1c(Cl)c(c(cc1C)Cl)OCCOc2ccc(cc2)CO	41
+c1cc(ccc1CCOc2ccc(cc2)C=O)O	173
+c1ccccc1-c2c(C)cc3cc(ccc3c2Oc4ccc(cc4)O)OC	1437
+C1CC(CCN1Cc2ccc(cc2)Oc3cc(c(cc3F)F)F)c4c(C)ccc(NC(=O)OCc5ccccc5)c4	48
+C1CC(CCN1C(C)=O)c2nc(Nc3ncc(Oc4ccc(cc4)CO)cc3Sc5ccccc5Cl)sn2	41
+c1cc(ccc1S)C=O	5087
+c1cc(ccc1Sc2c(Br)cccc2)CO	41
+c1cc(ccc1CN2c3c(C(N(Cc4ccc(cc4)C(OC)=O)C2=O)=O)cccc3)C	1939
+c1cc(ccc1CN2C(=O)N(CCC)C(C(OCc3ccccc3)C)=N2)C	1712
+c1cc(ccc1S(=O)(=O)N(C2CCCC(C)C2)Cc3ccc(cc3)C(OC)=O)Cl	692
+C1CC1CN2CCC34C5(C2Cc6c3c(OC4C(OCc7ccc(cc7)OC)CC5)c(cc6)OCc8ccccc8)O	149
+c1cc(ccc1CC2CCN(c3sc(c(C)n3)C(NCc4ccccc4)=O)C2=O)OC(F)F	1554
+c1cc(ccc1)S(=O)(=O)NC(=O)c2cc(c(NC(C)=O)cc2)NCc3ccc(cc3)OCc4ccccc4	608
+c1cc(ccc1-n2cnc3c2c4c(nc3)ccc(-c5ccc6OCOc6c5)c4)CCN	51
+c1cc(ccc1C2=CN(Cc3ccc(cc3)Cl)C(C=C2)=O)CC#N	2243
+c1cc(ccc1Nc2ncc(cc2)C(=O)N)CC#N	201
+c1cc(ccc1C=O)CC(=C(C(=O)OC)C(C)C)C(OC)=O	39
+c1cc(ccc1CC(C(OCC)=O)CP(=O)(O)C(C)NC(=O)OCc2ccccc2)Br	10936
+CN(C)CCNC(=O)Cc1ccc(cc1)N	890
+c1cc(ccc1Cc2oc(nn2)-c3c(c4C(=O)N(C)CCn4c3)OC)F	10937
+c1cc(ccc1CCCCO)CC(OC)=O	213
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)O	5
+c1cc(ccc1Oc2cc(ccc2)N)CC(=O)OC	0
+c1cc(ccc1C(=N)N)CC(C(=O)NC(C(OC)=O)C2CCCCC2)C(=O)NCc3ccccc3	3814
+c1ccccc1C(Cc2ccc(cc2)Cl)C(O)=O	4
+c1cc(ccc1-c2ccccc2C#N)CC3=C(n4c(N(C(C)COC)C3=O)nc(C)n4)CCC	3241
+c1cc(ccc1CC(C(O)=O)Cl)OCC2(CCc3c(C)c(OC(C)=O)c(c(C)c3O2)C)C	3
+c1cc(ccc1CC(C(O)C)c2cc(Br)ccc2)Cl	100
+c1cc(ccc1OCCc2ccc(cc2)COC)CC(CC)C(OC)=O	20
+c1ccccc1CC2(CCCC2)C(NC(C(OC)=O)Cc3ccc(cc3)N)=O	0
+c1cc(ccc1N)CC(C(OC)=O)NC(c2c(Cl)cccc2C)=S	0
+c1cc(ccc1N2CCN(CC2)C)CC(C)C(=O)OCC	2283
+c1cc(ccc1CCC(=O)C)[N+]([O-])=O	1965
+c1cc(ccc1OCCC2=CN(Cc3ccc(cc3)C)C(N2CCC)=O)CC(C(O)=O)(C)OC	3
+CC(C)(CN1CCCC(CNC(=O)Nc2cc(-c3n(nnn3)C)ccc2)C1)Cc4ccc(cc4)F	15
+c1cc(ccc1CC(CCC2(CC2)CC(OCC)=O)C=Cc3c(cccc3)OCCCCCc4ccccc4)C(=O)OC	8
+c1cc(ccc1F)-c2cnc3ncc(Cc4ccc(cc4)OC)n3c2	2583
+c1cc(ccc1CC(NC(=O)CCCCCCc2ccccc2)CCC#N)OCc3ccccc3	143
+c1cc(ccc1F)CC(CCC2CCC(=O)N2)O	100
+c1cc(ccc1C(OC)=O)CC(C=O)CCCCC#N	24
+C1CCCCN1C(CN2C3=NC(c4oc(Cc5ccc(cc5)F)cn4)=C(OCc6ccccc6)C(=O)N3C=C2)=O	10938
+c1cc(ccc1C2CC(CNC2)c3onc(CCOC)n3)CC(F)F	526
+c1cc(ccc1CC(N2CCOC(c3cccc(n3)Cl)C2)C)OCCO	15
+C1CCCC1(C(NC(Cc2ccc(cc2)N)C(=O)OC)=S)CCCCS(=O)(=O)C	0
+c1cc(ccc1N)CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O	0
+c1cc(ccc1CC(C(OC)=O)NC(c2c(Cl)cccc2C)=S)[N+]([O-])=O	581
+c1cc(ccc1C)CC(=O)Nc2c(ccc(-c3c(cccc3)-c4nnn[nH]4)c2)-n5nccc5	33
+c1cc(ccc1OC)-c2cnc(-c3cc(ccc3)C(NNC(Cc4ccc(cc4)C(OC)=O)=O)=O)o2	708
+c1cc(ccc1NS(=O)(=O)C)-c2nnc(NNC(Cc3ccc(cc3)Cl)=O)cc2	355
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+c1cc(ccc1CC(OC)=O)CC(N)c2cccnc2	10939
+c1cc(ccc1CCc2nc(NC(=O)C)sc2)CCO	95
+c1cc(ccc1OCCCOc2ccc(cc2)CC(OC)C(=O)OCC)OCC(F)(F)C(F)F	8
+c1cc(ccc1C2=C(c3cnccc3)COC2=O)OCc4ccc5ccccc5n4	10940
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+c1cc(ccc1F)S(=O)(=O)NC(Cn2cncc2)C(=O)Nc3ccc(cc3)CC(O)=O	3
+c1cc(ccc1OCC(=O)N(Cc2c(cc(F)cc2)F)Cc3ccc(cc3)CC)CC(OCC)C(OCC)=O	10
+c1cc(ccc1OCC(=O)c2cccc(OC)c2)CC(C(O)=O)OCC	3
+c1ccccc1OC(Cc2ccc(cc2)OCCO)C(OCC)=O	168
+c1cc(ccc1CC(c2ncc(CC(C)(C)CC)n2C)NC)-c3ccc(F)cn3	62
+c1cc(ccc1CNCc2ccc(F)cc2F)CC	162
+c1cc(ccc1C2CN(C(=O)N3CCC(CC3)O)CC(C2)C(O)=O)CC	3
+c1cc(ccc1CC)C2CN(C(=O)Oc3ccc(cc3)[N+]([O-])=O)CC(C2)C(=O)OC	66
+c1cc(ccc1CC)Cc2cc(Br)c(O)cc2Cl	5
+c1cc(ccc1CC)Cc2c(cccc2)O	5
+c1cc(ccc1C)CC2(CCCN(C(=O)C)C2)CC=O	3828
+c1cc(ccc1CC2(CCN(CC2)C(=O)C3CN(c4cc(c(C(C)=O)cc4O3)Cl)Cc5ccccc5)C#N)F	155
+c1cc(ccc1CC2(CCN(CC2)C(=O)C3CNc4cc(Cl)c(cc4O3)C(C)=O)C#N)F	10941
+c1cc(ccc1)CCNC(CCc2ccc(cc2)CC3=C(C)C(=O)C(OC)=C(C3=O)OC)=O	9
+c1cc(ccc1CC=2C(N(c3cccc(c3)C(C)O)C(=NC=2CCCC)C)=O)-c4ccccc4C#N	74
+C1CC(CCC1N2C(C(=C(n3c2ncn3)CCC)Cc4ccc(cc4)-c5ccccc5C#N)=O)=CCO	4283
+C1CC(CCC1Cc2ccc(cc2)F)=O	97
+c1cc(ccc1Cl)CC2N(CC3CC3)CCC2	15
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN	18
+c1cc(ccc1CC=2C(N(C3CCC(CC3)C(=O)O)c4n(ncn4)C=2CCC)=O)-c5ccccc5C#N	3
+c1cc(ccc1CC=2C(N(C3CCC(CC3)OCC(O)C=C)c4n(ncn4)C=2CCC)=O)-c5ccccc5C#N	4796
+c1cc(ccc1Cl)CC=2c3c(C(N(N=2)CC4CCCN4CCN)=O)cccc3	45
+c1cc(ccc1CC=C(C)C)C(C)O	74
+c1ccccc1C(c2ccccc2)(C(N)=O)C3CN(CCc4ccc(cc4)C(=O)N)CC3	28
+c1cc(ccc1[N+]([O-])=O)CCNCCc2ccc(cc2)[N+]([O-])=O	132
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4ccc(cc4)[N+]([O-])=O)O	28
+c1cc(ccc1CCC#Cc2ccc(cc2)OC)CC(OC)=O	121
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)OC	213
+c1cc(ccc1-c2c3c(nc(O)c4sccc34)ccc2O)CCC#N	5
+c1cc(ccc1CCCCCCCCC(O)=O)OC	1571
+c1cc(ccc1[N+]([O-])=O)CCCN	15
+c1cc(ccc1CCC(N)=S)[N+]([O-])=O	199
+c1cc(ccc1C)CCCO	21
+c1cc(ccc1CC2=C(C)C(=O)C(OC)=C(C2=O)OC)CCC(=O)O	1450
+c1cc(ccc1CCC(=O)O)C	4
+c1cc(ccc1CCC(OC)=O)OCc2ccc(cc2)CCl	657
+c1cc(ccc1CCC(=O)O)Cc2c(c(c(OC)c(c2C)OC)OC)OC	3
+c1cc(ccc1CCC(C(NO)=O)(S(=O)(=O)C)C)Oc2ccccc2	792
+c1cc(ccc1C(=O)OC)CCC(C(=O)O)CCC2(CC2)CC(OCC)=O	2819
+c1cc(ccc1-n2cccn2)CCC(S(=O)(=O)C)(C(=O)O)C	3
+c1cc(ccc1CCC(C(OCC)=O)(C)S(=O)(=O)C)-n2cccn2	1158
+O=S(=O)(C(C(=O)O)(CCc1ccc(cc1)Br)C)C	3
+c1cc(ccc1Br)CCC(Cn2cncc2)=O	5088
+c1cc(ccc1C#N)CCC(CCCCC(OCC)=O)CO	21
+c1cc(ccc1C#N)CCC(CCCCC(OCC)=O)C=Cc2c(O)cccc2	3170
+c1cc(ccc1CCC(N(CCC)Cc2ccc(F)cc2F)=O)OCc3ccccc3C(=O)O	1
+c1cc(ccc1CCC(NC=2NCCCN=2)=O)C(=O)NCC(N)C(O)=O	1388
+c1cc(ccc1Br)CCCNCC(c2cccnc2)O	15
+c1cc(ccc1CCC2NCCc3c2c(cc(c3)OC)OC)F	10942
+c1cc(ccc1CCCO)CCc2nc(NC(=O)C)sc2	95
+c1cc(ccc1CCC(=O)O)OCc2cc(Oc3cc(ccc3)C)ccc2	4
+c1cc(ccc1C#N)CCCO	44
+c1cc(ccc1CCC)-c2nc(-c3cc(I)c(cc3Cl)O)no2	1206
+c1cc(ccc1CCCO)-c2c(F)c(c(cc2)OCC)F	237
+c1ccc2C(=O)N(C(=O)c2c1)CCCc3ccc(cc3)CCc4nc(NC(=O)C)sc4	966
+c1cc(ccc1CCCn2cncn2)[N+]([O-])=O	10943
+c12C(CCCc1ccc(SC)c2)=O	3090
+c1cc(ccc1CCCC=C)C#N	2142
+c1cc(ccc1-c2oc(nn2)-c3ccccc3SCC)CCCCC	1782
+c1cc(ccc1-c2ccc(cc2)CCCCCCCC)[N+](=O)[O-]	134
+c1cc(ccc1CCO)CCCCCCCC	59
+c1cc(ccc1O)CCCCCCCCC(O)=O	5
+c1cc(ccc1CCCCCCCCCCCCCCCCCC)S(=O)(=O)Nc2nncs2	1140
+c1cc(ccc1CCCCN2C(CCC2)CN3C(=O)c4c(C(Cc5ccc(cc5)Cl)=N3)cccc4)O	5
+c1cc(ccc1CC(OC)=O)CCCC=O	24
+c1cc(ccc1OCC2OC(C)(C)OC2)CCCC=O	24
+c1cc(ccc1CCCCn2ccnn2)N	0
+c1cc(ccc1CCCn2c(-c3ccc(cc3)OCc4ccccc4)ccc2C)CCCCC	3476
+c1ccccc1COc2ccc(cc2)OCCCc3ccc(cc3)OCc4ccccc4C(=O)OC	20
+c1cc(ccc1N)CCCc2ccc(cc2)Nc3c(cccc3)C(=O)O	0
+c1cc(ccc1CCCl)-c2nocc2C(O)=O	1
+c1cc(ccc1CCCn2c(C)ccc2-c3ccc(cc3)O)CCCCC	16
+c1cc(ccc1CCCn2ccnc2)OCc3coc(-c4cc(cs4)C)n3	2669
+c1cc(ccc1O)CCCn2ccnn2	16
+c1cc(ccc1N)CCCn2cncn2	0
+c1cc(ccc1)OC(NCCc2ccc(cc2)-n3c4c(c(C)cc(C)n4)nc3CC)=O	101
+c1cc(ccc1CCNC(=O)c2cc(-n3cnnn3)cc(-c4ncccc4OC)c2)F	14
+c1cc(ccc1)-c2c3c(ncnc3oc2-c4ccccc4)NCCc5ccc(cc5)N	10944
+c1cc(ccc1F)OCC(O)CNCCc2ccc(cc2)NS(=O)(=O)c3ccccc3	122
+c1cc(ccc1Nc2ncc(cc2)C(=O)N)CCNCc3ccccc3	42
+c1cc(ccc1CCNc2nccc(n2)-c3cccc(c3)CN(S(=O)(=O)C)Cc4ccncc4)O	96
+c1cc(ccc1CCNCc2ccccc2)O	42
+c1cc(ccc1CCNCC2Cc3c(CC2)cccc3)OC	132
+C1CNCCC12C(N(C(N2CCc3ccc(cc3)OC)=O)CC4CC4)=O	25
+c1cc(ccc1CCN2CCCC(=O)CC2)OC	97
+c1cc(ccc1[N+]([O-])=O)C(O)CN2CCN(CC2)CCc3ccc(cc3)[N+]([O-])=O	74
+c1cc(ccc1CCOC2OCCCC2)CCN	18
+c1cc(ccc1Cl)C2(CCC2)C3=NCCc4c3cc(cc4)OC	1120
+c1cc(ccc1CCNC(C)=O)C(C2C(N(c3cc(ccc23)F)C(=O)C)=O)=O	3071
+c1cc(ccc1NS(=O)(=O)c2ccccc2)CCNC(=O)OCc3ccccc3	69
+c1cc(ccc1CCNC(c2cc(N)c(Oc3ccc(CC(OC)=O)cc3Cl)cc2)=O)Cl	0
+c1cc(ccc1-n2c3c(c(C)cc(C)n3)nc2CC)CCN(C)C(=O)NS(=O)(=O)c4ccc(cc4)C	10945
+c1cc(ccc1CCNCc2ccccc2)Oc3ncc(cc3)C(N)=O	136
+c1ccccc1CCN(CCc2ccc(cc2)Oc3ncc(C(=O)N)cc3)Cc4ccccc4	28
+c1cc(ccc1CCNc2c(c(CC)ncn2)C(OCC)=O)CCO	168
+c1cc(ccc1CCNc2nc(nc(COC)c2)Cl)OC	629
+c1cc(ccc1CCNc2nc(OC)nc(c2)C=O)OC	178
+c1cc(ccc1CCNc2nc(nc(CO)c2)Cl)OC	88
+C1(c2ccccc2C(=O)N1CCc3ccc(cc3)CCO)=O	4924
+c1cc(ccc1CCO)Nc2c(N)c(cc(C)n2)C	13
+c1cc(ccc1CCCCCCCC)CCOC(C)=O	165
+c1cc(ccc1CCOC(C)C(=O)O)-c2ccc(cc2)Cl	3
+c1cc(ccc1C=O)CCO	1262
+c1cc(ccc1CCOc2ccccc2C(=O)O)OCC(=O)N(CC)Cc3ccccc3F	1
+O=S(=O)(Oc1ccc(cc1)OCCc2ccc(cc2)CC(C(O)=O)OCC)C	3
+c1cc(ccc1CCc2c[nH]c(C(O)=O)c2)Cl	6
+c1cc(ccc1CCc2n[nH]c(C(O)=O)c2)OC	6
+c12ccc(cc1C(c3c(ccc(c3)F)CC2)=O)F	358
+c1cc(ccc1C=O)CCc2n3cncc3ccc2	39
+C1CN(CCN1C(=O)C)c2ccc(nc2)CCc3ccc(cc3)CN	18
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+c1cc(ccc1CCc2oc3cccc(O)c3c2C)OC	173
+c1cc(ccc1CCc2oc3c(c(c(cc3)CC=C)O)c2C)OC	423
+c1cc(ccc1CN2C=CC=CC2=O)Cc3c(cc(C(OCC)=O)n3CC)C	10946
+c1cc(ccc1OC)COc2c(cc(C=O)cc2)OCc3ccc(cc3)Cl	139
+c1cc(ccc1OCC=C)COCCn2nccn2	555
+c1cc(ccc1CN(C(=O)CCCC)c2ccccc2)-c3ccccc3C(=O)O	1
+c1cc(ccc1)C(N(Cc2ccc(cc2)C(=O)O)S(=O)(=O)c3ccc(cc3)Cl)CC	1
+c1cc(ccc1Cl)-c2c([nH]c(n2)-c3ccc(cc3)CN(C)C)C(OCC)=O	10947
+c1cc(ccc1CN(C)C)CN	524
+c1cc(ccc1CN(C)C)N	0
+c1cc(ccc1CN(CC)C(=O)COc2ccc(cc2)CCSc3ccccc3C(=O)O)Cl	1
+c1cc(ccc1C#Cc2ccc(cc2)OC)CN(c3ccc(c(c3)C(O)=O)O)CCCCCC	10948
+CCCN(CCC)CCCCN(CCC(OC)=O)Cc1ccc(cc1)CN(Cc2n(ccn2)C)Cc3[nH]ccn3	566
+FC(F)(F)c1c(OCC)nc(N)cc1	10949
+c1ccccc1CCCNc2ccc3ncc(-c4ccc(cc4)CN)n3n2	1414
+c1cc(ccc1F)CNC(c2sc(nc2C)-c3ccn(n3)CCc4ccc(cc4)F)=O	454
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5cc(c(cc5cn4)CC(NCc6ccc(cc6)F)=O)[N+](=O)[O-]	9
+c1ccccc1CN(Cc2ccccc2)C(C(=O)NCc3ccc(cc3)F)COC(F)F	9
+c1cc(ccc1CNc2nc(OCCCCN3CCc4c(cccc4)C3)ccc2)OC	70
+c1cc(ccc1OC)CNc2c(cccn2)-c3ncsc3-c4cccnc4Cl	70
+c1ccccc1Nc2nn(cn2)-c3ccnc(NCc4ccc(cc4)OC)c3	70
+c1cc(ccc1CNc2cc(nc(I)n2)Cl)OC	40
+c1cc(ccc1CNC(=O)c2ccc3c(c(cnc3)Br)n2)OC	81
+c1cc(ccc1CNc2ncc(cc2-c3c(scn3)-c4c(c(ccc4)Cl)Cl)Br)OC	70
+c1cc(ccc1N(C)C)CN2C(C(=C(C2=O)Nc3ccc(cc3)OC)c4ccccc4)=O	10950
+c1cc(ccc1CN2C(C(=C(C=O)C=N2)NC)=O)OC	10951
+c1cc(ccc1)CN2C3(Cc4c(C3)cc(cc4)[N+](=O)[O-])C(NC2=O)=O	10952
+c1cc(ccc1OC)CN2C(N(C)C(N)=C(C2=O)N)=O	721
+c1cc(ccc1CN2C(N(CCC)C(C(O)C)=N2)=O)C	118
+c1cc(ccc1CN2C(N(c3nc(c(C(=O)O)s3)C)C=N2)=O)F	6
+c1cc(ccc1CN2N=CN(c3[nH]nc(C(NCc4cc(F)c(cc4)F)=O)c3)C2=O)F	1613
+c1cc(ccc1OC)CN2C=C3CN(C(=O)C3=C(Cl)C2=O)CCc4ccc5ccccc5n4	10953
+c1cc(ccc1CN2C(C(=C(C(CO)=C2)C(=O)OC)Cl)=O)OC	10954
+c1cc(ccc1CN2CCNCC2(C)C)OC	15
+c1cc(ccc1CN2C(C)(C)CN(Cc3ccc(cn3)N)CC2)OC	13
+c1cc(ccc1OC)CN2CCOCC2C	15
+c1cc(ccc1CN2C(=O)C3(N(C2=O)Cc4ccccc4)Cc5c(cc([N+](=O)[O-])cc5)C3)OC	10955
+n1c(O)c2N(C(C(=Cc2cn1)C(OCC)=O)=O)C	10956
+c1cc(ccc1CN2CC(c3ccccc3C2CC(O)=O)=C)C(=O)Nc4ccccc4N	4
+c1cc(ccc1F)CN2C(N(c3sc(c(C)n3)C(N)=O)CC2C)=O	4328
+c1cc(ccc1C(=O)CN2C(=O)N(C(CCC)=CC2=O)Cc3ccc(cc3)-c4c(C#N)cccc4)OC	10957
+C(c1ccc2c(c1)c(ncn2)O)c3nnc4n3nc(-c5cnccc5)cc4	10958
+c1cc(ccc1CN2C(c3c(ccc(Cc4nnc5ccc(-c6cccnc6)nn45)c3)N=C2)=O)OC	2102
+c1cc(ccc1CN2C3CN(Cc4ccc(cc4)C(=O)OC)C(C2)C3)Oc5ccc(cc5)-c6occn6	48
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+c1ccccc1C(=O)Nc2ccc(cc2)CN3CC=C(CCC(OC)=O)C3=O	50
+c1cc(ccc1CN2CC=C(CCC(OC)=O)C2=O)N	0
+c1cc(cc(C)c1Oc2cnc(C)cc2)Nc3ncnc4c3C=C(CCN4)C(=O)OC	10959
+c1cc(ccc1)C(c2ccccc2)CNCC3CCN(CC3)Cc4ccc(cc4)Cl	110
+C1CC(CCN1Cc2ccc(cc2)C)=O	86
+C1CC(CCN1Cc2ccc(cc2)Oc3cc(c(cc3F)F)F)c4c(ccc(c4)NC(Oc5ccc(cc5)[N+]([O-])=O)=O)C	90
+c1cc(ccc1CN2CCC(CC2)c3[nH]c(-c4cnc(cc4)O)nn3)-c5c(cc6c(ccnc6O)n5)-c7ccccc7	104
+c1cc(ccc1CN2CCc3c(c(OC)cnc3C(=O)O)C2=O)OC	6
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+c1cc(ccc1CN2c3c(C(=O)N(Cc4ccc(cc4)C(=O)O)C2=O)cccc3)C	1
+c1cc(ccc1CN2c3c(cccc3)N(CCCCCCCC(O)=O)C2=O)Cl	4
+c1cc(ccc1CN2C(=O)C=Cc3ncc(cc23)N4CC(C4)=O)OC	86
+c1cc(ccc1OCc2ccc(cc2)CN=[N+]=[N-])Cl	20
+c1cc(ccc1CNC(=O)C)CN2CCN(CC2)c3ncccn3	171
+c1cc(ccc1CN2CCN(CC2)c3ncccn3)CN	524
+c1cc(ccc1CNC(c2cnc3c(cc(cc3c2O)CCCO)OC)=O)Cl	213
+c1cc(ccc1Cl)CNC(c2sc(nc2C)NC(c3ccncc3)=O)=O	548
+c1cc(ccc1Cl)CNCC	15
+C(C)OC(N1CC(N)C=2N(C(=O)C=C(N=2)c3ccncn3)CC1)=O	2260
+C1COC2(O1)CC(C)(C)C(N)CC2	2260
+c1cc(ccc1F)CN(C(Cc2ccc(cc2)OCC)=O)C3CCN(CC3)C	58
+Cc1c2c(cc(c(-c3c(OC)cccc3F)n2)CN)ccc1	2260
+C1CN(CCC1C(=O)c2ccc(cc2)F)CC(=O)N(Cc3ccc(cc3)F)Cc4nc(c5COCCc5n4)O	10
+c1cc(ccc1CNc2c(cnc(Br)c2)N)OC	13
+c1cc(ccc1OC)CNc2cc(ncc2[N+](=O)[O-])Nc3ncc(C#N)nc3	2785
+s1cnc(c1-c2c(c(Cl)ccc2)Cl)-c3cc(cnc3N)-c4cnccc4	755
+c1cc(ccc1CNc2c3c(cc(Cl)cc3)nc4CCCC(O)c24)F	652
+c1cc(ccc1CNc2c(N)cc(c(F)c2)C(=O)OC)OC	0
+c1cc(ccc1CNc2cc(cc(c2)F)CO)OC	41
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3c4c(CCC3)cc(OCc5ccccc5)cc4)C(C)C	429
+CC(C)C1CN(CCN1)c2ccc(N)nn2	755
+c1cc2CCN(Cc2cc1)CCCCOc3cccc(N)n3	755
+Nc1cc2c(ncnc2cn1)Nc3cc(Br)c(Br)cc3	755
+c1cc(ccc1-c2nnc(s2)-c3ccc(cc3)C=O)N4CCC(CC4)(CCCC)OC	39
+c1cc(ccc1C=O)-c2cnco2	39
+c1cc(ccc1CO)CCN2C(=O)C=C(CCc3ccccc3)C=C2	10960
+c1cc(ccc1CO)CCN2C=CC(=CC2=O)OCc3ccccc3	10961
+c1cc(ccc1CO)CCN2C(C=C(O)C=C2)=O	923
+c1cc(ccc1C=O)CNc2ncccc2	39
+c1cc(ccc1Cn2c3nc(NCc4ccncc4)nc(c3nc2)N)CO	96
+c1cc(ccc1NC(=O)c2ccc(Cc3cc(cc4c3oc(C(C)C)c4)Cl)o2)C=O	39
+C1CC(CCC1)N(CC2CC2)c3cc(ncn3)C(=O)Nc4ccc(cc4)C=O	39
+c1cc(ccc1NS(=O)(=O)C)C=O	39
+c1cc(ccc1COCOc2ccc(cc2)Cl)OCCF	433
+O=S(=O)(c1ccc(cc1)C=O)NC	39
+c1cc(ccc1OC)COc2c(c3C(=O)C(=CN(CC)c3cc2OCc4ccc(cc4)OC)C(O)=O)Cl	10962
+c1cc(ccc1COC(=O)N2C(CC(OC(c3ccccc3)=O)C2)C(OCc4ccc(cc4)OC)=O)[N+](=O)[O-]	279
+c1ccccc1C(OC2CN(C(C2)C(=O)O)C(OCc3ccc(cc3)[N+]([O-])=O)=O)=O	2167
+c1cc(ccc1COC(=O)N2CC(O)CC2)[N+]([O-])=O	59
+c1cc(ccc1COC(N2CC(N)CC2)=O)[N+]([O-])=O	18
+c1ccccc1CC(C(C(OCc2ccc(cc2)OC)C)Cc3ccccc3)=O	86
+c1ccccc1COC(NC(C(C)C)C(=O)OC2CCC(CC2)C(OCc3ccc(cc3)OC)=O)=O	27
+c1cc(ccc1COC(CCCCCCCCCCC)CC(=O)O)OC	4
+C(C(=O)O)CC(C(=O)OCC=C)OC(C)=O	2167
+c1cc(ccc1COC(N2CC(CC2C(O)=O)SCc3ccc(cc3)OC)=O)[N+](=O)[O-]	2543
+n1cccnc1NCC2C(F)CN(C(=O)OCc3ccc(cc3)C)CC2	96
+C1(CC(=O)OCC)Cc2c(Cc3ccccc13)cc(OCCCN)cc2	10963
+c1cc(ccc1COc2c(cc(C=O)cc2)C(=O)O)F	10964
+c1cc(ccc1CCO)COC	21
+c1cc(ccc1COC2=CC(N(c3cc(NC)c(N)cc3)C=C2)=O)Cl	0
+c1cc(ccc1COCCOCCOCCN)OC	18
+c1cc(ccc1Cl)C(c2ccccc2-c3c(onc3CO)C)=O	1974
+c1cc(ccc1COCc2c(c(on2)C)-c3c(C(c4ccc(cc4)Cl)=O)cccc3)OC	335
+c1cc(ccc1COCc2noc(C)c2-c3c(C(c4ccc(cc4)Cl)O)cccc3)OC	704
+c1cc(ccc1COc2c(c(O)c(cc2)C(C)=O)CCC)C(O)c3cc(ccc3)C#N	168
+c1cc(ccc1C=CC(=O)O)COc2c(c(O)c(cc2)C(C)=O)CCC	127
+c1cc(ccc1COc2cccc(c2C(C)=O)N)OC	0
+c1(cc(cc(c1)O)Br)Nc2cccnc2	686
+c1cc(ccc1OC)COc2cc(c(cc2)-c3cc(ccc3F)OC)CO	217
+O=S(=O)(c1cc(cc(O)c1)Br)C	686
+c1cc(ccc1COc2ccc3c(c2)c4c(C(CC(=O)O)CC4)[nH]3)-c5csnn5	3
+c1cc(ccc1COc2ccc3c(c2)c4c(C(CC(=O)O)CC4)[nH]3)-c5nccnc5	3
+c1cc(ccc1COc2c(c(ccc2)[N+]([O-])=O)C(C)=O)OC	155
+c1cc(ccc1COc2c(c(ccc2)N)N)OC	0
+c1ccccc1-c2c3c(-c4c(cccc4O)C3=O)nc(N)n2	686
+c1cc(ccc1C(=O)c2ccccc2)CP(O)(O)=O	228
+c1cc(ccc1CP(O)(O)=O)OCC2(CCCCC2)C	228
+c1cc(ccc1O)CS(=O)CCn2nncc2	1691
+c1cc(ccc1F)Cc2cc(c(nc2)C#N)Br	10965
+c1cc(ccc1OC)Cc2ccc(cc2)-c3occn3	2300
+c1cc(ccc1C(O)=O)Cc2[nH]c3ccccc3n2	1
+c1cc(ccc1Cc2c3C(=O)N(CCCOC)C(=O)N(C)c3sc2-c4ccc(cc4)Cl)Cl	21
+c1cc(ccc1Cc2c3c(n(c2C)CC(OCC)=O)cccc3)N	0
+c1cc(ccc1Cc2c([nH]nc2C)OC3OC(C(OC(=O)C)C(OC(=O)C)C3OC(C)=O)CO)OC(C)C	59
+c1cc(ccc1OC(C)C)Cc2c(n[nH]c2OC3OC(C(O)C(O)C3OC(=O)C)CO)C	59
+c1cc(ccc1Cc2c(C)nc(N)nc2NCCCCC)CO	168
+c1cc(ccc1Cc2c(C)nc3c(c(CC(O)=O)ccc3Cl)c2C)Cl	4
+c1cc(ccc1)COc2c(Cc3ccc(cc3)CC)ccc(COC(=O)C)c2	22
+c1cc(ccc1Cc2ccccc2OC3C(C(C(C(CO)O3)OC(C)=O)OC(C)=O)OC(=O)C)C(=O)N	59
+c1cc(ccc1Cc2c(cccc2)O)CC#N	16
+c1cc(ccc1Cc2c(C)n[nH]c2OC3OC(C(O)C(C3OC(=O)C)OC(=O)C)CO)OC(C)C	59
+c1cc(ccc1CCC(=O)OCC)Cc2c(c(c(OC)c(c2C)OC)OC)OC	159
+c1cc(ccc1Cc2c(cc(CCCO)c(Br)c2)Cl)OCC	21
+c1cc(ccc1Cc2c(nc3c(ccc(OCC(O)=O)c3c2OC(F)F)F)CC)-n4cccn4	4
+c1cc(ccc1OCCO)Cc2c(nn3c2nc(cc3C)C)CC	95
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)O	5
+c1cc(ccc1Cc2c3C(N(C(N(C)c3sc2-c4ccc(cc4)Cl)=O)CCCO)=O)Cl	88
+c1cc(ccc1Cc2c3c([nH]c4cnc(c(COC)c34)C=O)ccc2)Cl	178
+c1cc(ccc1CCO)Cc2cc(Br)ccc2Cl	59
+c1cc(ccc1C=O)Cc2cc(ccc2Cl)Br	39
+c1cc(ccc1Cc2cc(Br)ccc2Cl)CO	59
+c1cc(ccc1F)Cc2cc3c(c(c(C(OCC)=O)c(O)n3)O)nc2	10966
+c1cc(ccc1Cc2cc(ccc2Cl)Br)O	5
+c1cc(ccc1F)Cc2ccccc2O	562
+c1cc(ccc1N)Cc2cc3CC(Nc3cc2)=O	0
+c1cc(ccc1Cc2ccc(cc2)OCc3ccccc3)C#N	22
+c1cc(ccc1Cc2ccc(cc2)C#N)O	5
+c1cc(ccc1Cc2ccc(cc2)[N+]([O-])=O)CS(=O)(=O)NCc3ccccc3	111
+O=S(=O)(Cc1ccc(cc1)Cc2ccc(cc2)N)NCc3ccccc3	0
+c1cc(ccc1Cc2ccc(cc2)N)F	0
+c1cc(ccc1Cc2ccc(nc2)C(O)=O)O	5
+c1cc(ccc1Cc2c3c([nH]c4cnc(c(c34)COC)CO)ccc2)Cl	194
+c1cc(ccc1Nc2c(cnc3c2cc(cc3)Cl)C=O)Cc4ccccc4	200
+c1cc(ccc1Cc2ccccc2OC3C(OC(C)=O)C(OC(C)=O)C(O)C(O3)CO)C(=O)N	59
+c1cc(ccc1Cc2ccccc2OC3OC(C(O)C(O)C3OC(=O)C)CO)C(N)=O	59
+c1cc(ccc1Cc2c(OC3OC(C(C(O)C3O)O)CO)cccc2)C(N)=O	59
+c1ccccc1COc2ccccc2Cc3ccc(cc3)C(O)=O	1
+c1cc(ccc1C(N)=O)Cc2c(cccc2)O	16
+c1cc(ccc1Cc2c(cccc2)O)SC	16
+c1cc(ccc1O)Cc2n(C)nc(-c3c(cccc3Cl)F)n2	173
+c1ccccc1-c2nc3nnc(Cc4ccc(cc4)F)n3nc2	10967
+c1cc(ccc1N)Cc2nc(Cl)c(c(Cl)n2)CC(=O)OC	0
+C1CCC(C1)c2cc(ccc2O)C(c3c(sc(C)c3C)Cc4ccc(cc4)Br)=O	5
+c1cc(ccc1Cl)-c2c(ncc(C(=O)NC3CCCCC3O)c2)CCCOC	587
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(N(c4ccc(N)c(c4)Cl)S(=O)(=O)C)cc3o2)C5CC5	0
+c1cc(ccc1-c2c3c(C)c(C)[nH]c3nc(C)c2C(=O)C(=O)OC)Cl	10968
+c1cc(ccc1-c2c(C(O)=O)[nH]cc2C)Cl	6
+c1cc(ccc1)Cn2c(C(OCC)=O)c(-c3ccc(cc3)Cl)c(C)c2	3289
+c1cc(ccc1Cl)-c2c3c(nc(Br)s3)cc(C)c2C(O)C(=O)OCC	10969
+c1cc(ccc1)C=Cc2onc(-c3ccc(cc3)Cl)c2C(OCC)=O	10970
+c1cc(ccc1Cl)S(=O)(=O)C(C#N)=Cc2c([nH]c3ccccc23)-c4ccc(cc4)Cl	10971
+C1CC1c2nn3C(c4ccc(cc4)F)=CC(=O)Nc3c2-c5ccc(cc5)Cl	2950
+OB(O)c1c(ccc(c1)-c2ccc(cc2)Cl)Br	493
+c1cc(ccc1-c2cc(c(C)n2-c3ccc(cc3)Cl)C(=O)O)Cl	6
+c1cc(ccc1-c2cc(c(CC)cc2)N)Cl	0
+c1cc(ccc1Cl)-c2cc(CO)cnc2	295
+c1cc(ccc1-c2cc(C(=O)O)cnc2Cl)Cl	1
+c1cc(ccc1-c2ccc(cc2)CCO)Cl	21
+Clc1ccc2c3c([nH]c2c1)cccc3	1223
+c1cc(ccc1Cl)-c2cncc(c2)COc3ccc(c(c3)C)CCCCn4ccnn4	751
+c1cc(ccc1-c2n(C)cc(c2C)C(=O)O)Cl	6
+c1cc(ccc1-c2ccc(C#N)cn2)Cl	1372
+c1cc(ccc1-c2nc(CO)sn2)Cl	4715
+c1cc(ccc1Cl)-c2oc(-c3ccc(N)c(N)c3)nn2	0
+c1cc(ccc1-c2c3c(cccc3)c(Nc4ccc(cc4)Sc5c6c(ncc5)cccn6)nn2)Cl	1443
+c1cc(ccc1Cl)-c2oc(-c3cscc3)c(CC(O)=O)n2	3
+c1cc(ccc1Cl)-c2oc3c(Cn4c(C)cc(n4)C(O)=O)cc(Cl)cc3c2	6
+c1ccccc1COc2c(cc(N(S(=O)(=O)C)c3c(cc4c(C(NC)=O)c(oc4c3)-c5ccc(cc5)Cl)C6CC6)cc2)F	4974
+c1cc(ccc1-c2c(C#N)c(nc(SCc3coc(n3)-c4ccc(cc4)Cl)c2C#N)N)OCC(CO)O	265
+O=C1C=CC(=O)C1c2cc(-c3ccc(cc3)Cl)sc2CC	10972
+c1cc(ccc1-c2scc(n2)CSc3c(c(c(c(N)n3)C#N)-c4ccccc4)C#N)Cl	2837
+C1CC(CCC1)C(c2n(nc3c2cccc3)-c4ccc(cc4)Cl)CO	647
+c1cc(ccc1Cl)-n2c(C(COc3c(cc(cc3C)C(O)=O)C)C4CCCCC4)c5ccccc5n2	1
+c1cc(ccc1Cl)-n2c(c(nc2CC(O)=O)Br)-c3c(cccc3F)F	4
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(=O)Nc4ccc(cc4F)C(O)=O)C5CCCCC5	6
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(Nc4c(F)cc(cc4)OC5(CC5)C(O)=O)=O)C6CCCCC6	4
+c1cc(ccc1C(C2CC2)=C(F)CO)Cl	4313
+c1cc(ccc1Cl)C(Br)=CC2C(C2(C)C)C(=O)O	3
+c1cc(ccc1-c2oc(nc2-c3ccc(cc3)Cl)CCCCCC(C)C#N)Cl	10973
+c1cc(ccc1Cl)-c2cc(C(OCC)=O)c(C)n2-c3ccc(cc3)Cl	4591
+c1cc(ccc1Cl)-n2c(C)ccc2-c3ccc(cc3)Cl	2387
+c1cc(ccc1Cl)-c2oc(-c3cscc3)c(CC(OCC)=O)n2	10974
+c1cc(ccc1Br)NC(CN)c2ccc(cc2)Cl	51
+c1cc(ccc1Cl)-c2nc3n(cc(cc3)Br)c2	440
+c1cc(ccc1C(c2c3cccc(CSCC)c3[nH]c2)CCO)Cl	44
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(=O)O)=O	108
+c1cc(ccc1Cl)-c2nnc(-c3cc(c(cc3)N)[N+]([O-])=O)o2	1782
+c1cc(ccc1-c2nnc(-c3ccc(c(O)c3)C)o2)Cl	1782
+c1cc(ccc1Cl)C(Nc2ccc(cc2)Cc3c(n(c4ccccc34)CC(=O)O)C)=O	3
+c1cc(ccc1Cl)C(Nc2ccc(cc2)Cn3nc(CC(O)=O)c4ccccc34)=O	3
+c1cc(ccc1)CN2CCC(CC2)OC(c3ccccc3Cl)c4ccc(cc4)Cl	3938
+c1cc(ccc1C(c2ccc(cc2)Cl)c3ccc4nccc(C=Cc5ccccc5)c4c3)Cl	4253
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4c(c(ncn4)NC5CCN(CC5)Cc6cc(ccc6)C(OC)=O)c3	131
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3cc4c(cc3)ncnc4NC5CCNCC5	2
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4c(c(ncn4)NC5CCN(CC5)Cc6cc(ccc6)C(=O)O)c3	1
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4ncnc(NC5CCN(CC5)c6ccc(cc6)CC(=O)O)c4c3	4
+c1cc(ccc1Cl)C2(CC2)C(N3CC(S(=O)(=O)c4ccccc4Cl)CC3C(O)=O)=O	4
+c1cc(ccc1Cl)C2(CC2)C(N3CCC(=O)C3)=O	86
+c1cc(ccc1Cl)C2(CCC2)C=3c4cc(O)ccc4CCN=3	5
+c1cc(ccc1)C2COC(=O)N2C(CSCC3(OCC(C)(C)CO3)c4ccc(cc4)Cl)=O	2912
+c1cc(ccc1Cl)C2(OCC(C)(C)CO2)CSCC(=O)O	3
+c1cc(ccc1Cl)-c2cc(nnc2-c3ccccc3Cl)O	10975
+c1cc(ccc1C2=NC3(CCNCC3)C(=O)Nc4ccc(cc24)Cl)Cl	25
+c1cc(ccc1Cl)C2N(C(=O)C(CC=C)(C)CC2c3cc(Cl)ccc3)C(C=O)CC	24
+c1cc(ccc1Cl)C2CCc3c2cc(C(=O)O)[nH]3	1
+c1ccccc1C2Cc3c(cnc(N)n3)C(C2)=O	992
+c1cc(ccc1Cl)C2=C(C=3N(C=C2)C(=O)N(Cc4ccc(cc4)S(=O)(=O)C)N=3)c5ccncc5	10976
+c1cc(ccc1-c2ccc(O)nn2)Cl	2566
+c1cc(ccc1-c2cc3c([nH]2)cc(C(OC)=O)s3)Cl	10977
+c1cc(ccc1N(CCN2C(=O)c3cc(C(OC)=O)ccc3C=C2)Cc4ccc(cc4)Cl)OC	3043
+c1cc(ccc1CNc2ncc(Br)cc2)Cl	811
+c1cc(ccc1)SC2(CC2)C(C=Cc3ccc(cc3)Cl)=O	964
+c1ccccc1C(c2ccc(cc2)Cl)O	704
+c1cc(ccc1Cl)CNc2c(N)cccc2	608
+c1cc(ccc1CCc2c[nH]c(C(=O)OCC)c2)Cl	1283
+c1cc(ccc1CC2NCCC2)Cl	15
+c1cc(ccc1Cl)CC(Cn2ncnc2)O	1377
+c1cc(ccc1Cc2nc(ccc2)C#N)Cl	1304
+c1cc(ccc1CCCCN2C(CCC2)CN3C(=O)c4c(C(Cc5ccc(cc5)Cl)=N3)cccc4)OC	123
+c1cc(ccc1CCC(C(C)(C)C(C)C)=C)Cl	2114
+c1cc(ccc1Cl)CCCO	21
+c1cc(ccc1Cl)C(NC(CNC(CCc2ccc(cc2)Cl)=O)=O)c3ccccc3	9
+c1cc(ccc1Cl)CCNCCCNC(Nc2ccccc2)=O	132
+c1cc(ccc1CCN(CCc2ccc(cc2)Cl)CCCNC(Nc3ccccc3)=O)Cl	28
+c1cc(ccc1CNC(=O)c2c(O)c3c(nc2)ccc(I)c3)Cl	1556
+c1cc(ccc1Cl)CN2C(C(OC)=NN(C2=O)c3cc(ccc3)N)=O	106
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(sc(CN(C)CC(c4cnccn4)O)c3)N(CC)C=2)=O	822
+n1cccnc1C(O)CN(Cc2cc3C(=O)C(C(NCc4ccc(cc4)Cl)=O)=CN(c3s2)C)C	822
+c1cc(ccc1CN(CC)C(=O)COc2ccc(cc2)CCSc3c(cccc3)C(OC)=O)Cl	10
+c1cc(ccc1Cc2c(C#N)c(-c3cc(NC(=O)C)ncc3)sc2C(=O)O)Cl	6
+c1cc(ccc1Cl)Cc2c(c(-c3ccnc(c3)N)sc2-c4nnc[nH]4)C#N	1670
+c1cc(ccc1Cl)Cc2c3c(n(c2Br)CCCC=O)cccc3	578
+c1cc(ccc1Cl)Cn2c3c(cc2CC(C)(C)C(OC)=O)cc(OCc4ccc5occc5n4)cc3	951
+CC(C)(Cc1n(c2c(c1)cc(OCc3ccc4occc4n3)cc2)Cc5ccc(cc5)Cl)C(O)=O	4
+c1cc(ccc1Cl)N2CCN(CC2)c3c(-c4ccc(cc4)N(C)C)nc(OC)cc3	244
+c1cc(ccc1CC(=O)N2C(CCC2)C(=O)Nc3ccc(cc3)Cl)N4CCOCC4=O	348
+c1cc(ccc1Cl)NC2(CCNCC2)C#N	25
+c1cc(ccc1Cl)NC2c3cc(ccc3N(C(C)=O)C(C)C2)-c4ccc(cc4)C(=O)O	6
+c1cc(ccc1Cl)NS(=O)(=O)c2ccc(OC)c3CC(NC)COc23	1925
+c1cc(ccc1Cl)OC(C(OC)=O)c2ccc(cc2)Oc3ccc(cc3)Cl	2486
+c1cc(ccc1OC(C)C(=O)OC)COc2ccc(cc2)Cl	139
+c1cc(ccc1Cl)Oc2ccc(nn2)Cl	1119
+c1cc(ccc1Cl)Oc2c3c(c(CC(=O)O)c(C)n2)cccc3	136
+C1CCCN1CCOc2ccc(cc2)C#Cc3ncc(cc3)-c4ccc(cc4)Cl	2056
+c1cc(ccc1Oc2ccc(cc2)Cl)C(Oc3ccc(cc3)Cl)C(=O)O	4
+c1cc(ccc1Oc2c(C)[nH]c3c2cc(F)cc3)Cl	3122
+c1cc(ccc1Oc2c([nH]c3ccc(SC)cc23)C)Cl	3122
+c1cc(ccc1OCC(O)=O)Cl	3
+Clc1ccc2occc2c1	4487
+c1cc(ccc1Cl)OCCNC(=O)CCc2c(cccc2)O	5
+c1cc(ccc1Cl)Oc2c3cc(F)ccc3n(CC(O)=O)c2C	3
+c1cc(ccc1Cl)Oc2cccc(CN)c2	107
+c1cc(ccc1Cl)Oc2cc(c(cc2)-c3coc4c3cc(OC)cc4)CCC	10978
+c1cc(ccc1Cl)Oc2cc(c(cc2)-c3c4cc(O)ccc4oc3)CCC	5
+c1cc(ccc1Cl)Oc2cc(CCC)c(C(=O)COc3ccc(cc3)OC)cc2	702
+c1cc(ccc1S(=O)(=O)N(C)C(C(OC)=O)=C)Cl	10979
+c1cc(ccc1S(=O)(=O)NC2C(COC)CCCCC2)Cl	21
+Clc1cc2c(cc1)scc2CC	3148
+c1cc(ccc1Cl)Sc2c(n(CC(OCC)=O)c3cccc(c23)N)C	0
+c1cc(ccc1Sc2cccc3c2NC(C3)=O)Cl	1290
+c1cc(ccc1Cl)Sc2ccc(cc2)CCC(=O)O	4
+c1cc(ccc1Sc2c(N)cccc2)Cl	0
+c1cc(ccc1Cn2c(cc(NCc3ccccc3)c2)C(=O)C)F	3118
+c1cc(ccc1Cn2c(C(=O)C)cc(c2)N)F	13
+c1cc(ccc1CN2N=CN(C2=O)c3cc(n(Cc4ccc(cc4)OC)n3)C(OC)=O)F	1712
+c1cc(ccc1Cn2c(-c3ccc(Cl)c(c3)C)cc(C(=O)O)n2)C	1
+c1cc(ccc1-c2ccccc2-c3[nH]nnn3)Cn4c(nc5cccc(C(=O)O)c45)OCC	6
+c1cc(ccc1Cn2c3cccc(O)c3c4cccc(C)c24)F	2302
+c1cc(ccc1OCc2ccccc2)Cn3c4c(cc3CNC)cccc4	729
+Fc1c(Oc2c3c(n[nH]2)cccc3)cccc1	10980
+c1cc(ccc1Cn2c(SCC)nc3cccc(c23)C(=O)O)-c4ccccc4-c5[nH]nnn5	6
+c1cc(ccc1Cn2c(c(CC(C)CC(=S)N)c3c2ccc(OC)c3)C)Br	199
+c1cc(ccc1Cn2c3ccc(OC)cc3c(CC(CC(=O)O)C)c2C)Br	3
+c1cc(ccc1O)Cn2c3nc(nc(N)c3nc2OC)OCCCC	16
+c1cc(ccc1OCc2ccccc2)Cn3cc(-c4ccccc4)c(c3)CO	295
+C1CN(CCC1)c2c(-c3cn[nH]c3)nc(Nc4ccccn4)s2	1613
+CCOC(c1c2c(c(Cl)nc1)cc[nH]2)=O	10981
+c1cc(ccc1Cn2nnc(n2)-c3cc(ccc3)CO)OC	1146
+c1cc(ccc1Cn2nc(C(O)=O)cc2CCCC)-c3c(C#N)cccc3	6
+c1cc(ccc1Cn2c3c(cccc3)c(Oc4c(F)cccc4)n2)OC	480
+c1ccccc1-c2scc(COc3ccc(cc3)Cn4cc(c(OCC)n4)CCC(O)=O)n2	3
+c1cc(ccc1N)Cn2nc(c3ccccc23)CC(=O)OCC	0
+c1cc(ccc1Cn2nc(Oc3ccc(cc3F)N)c4ccccc24)OC	0
+c1cc(ccc1Cn2nc(-c3cccc(c3)C(O)=O)nn2)OC	1
+c1cc(ccc1Cn2c3c(ccc(C=C)c3)cn2)OC	10982
+c1cc(ccc1F)-c2nc([nH]c2C=O)CCCC	614
+c1cc(ccn1)-c2c(-c3ccc(cc3)F)[nH]cc2	10983
+O=S(=O)(c1ccccc1)Nc2c(Br)cc3c(C(=O)OC)c(-c4ccc(cc4)F)oc3c2	69
+c1cc(ccc1-c2c(c(nc3ccc(cc23)Br)C)C(C)O)F	652
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(-c4cc(ccc4)C(NC(C)(C)C(O)=O)=O)c3)o2	4
+c1cc(ccc1F)-c2nn3c(ccc(OC)c3)c2Cc4cccc(n4)C(=O)OC	10984
+c1cc(ccc1F)-c2c(c(Cl)nc3ccccc23)CO	351
+c1cc(ccc1F)-c2nn3CCN(CCC(=O)O)c3c2C=4C=CC(=O)N(c5c(cccc5)C)N=4	3
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(C(=O)OC)cn3)F	3155
+c1cc(ccc1-c2c(nc3n(ccn3)c2)Cl)F	10985
+c1cc(ccc1-c2c(C=O)c(nc3ccccc23)Cl)F	200
+c1cc(ccc1F)-c2c(c(on2)C)CO	903
+c1cc(ccc1F)-c2noc(C)c2COc3ncc(C(=O)OC)cc3	91
+c1cc(ccc1F)-c2cc(c3c(c2Cl)c(O)ncn3)O	390
+c1cc(ccc1F)-c2oc3cc(c4OC(C)Cc4c3c2C(O)=O)NS(=O)(=O)C	1
+c1cc(ccc1F)-c2c(c3c(o2)ccc(-c4c(C)ccc(C(O)=O)c4)c3)C(=O)NC	1
+C1CCCCC1n2ncc(C(=S)N)c2-c3ccc(cc3)F	4277
+c1cc(ccc1F)-c2c(n(nn2)C)C#Cc3ncc(cc3)C(=O)O	1
+C1CCCCN1c2ccc3c(c2)c(c(c(C)n3)CO)-c4ccc(cc4)F	295
+c1cc(ccc1F)-c2c3c(ncnc3sc2)OCCCOc4cc(ccc4)N	0
+c1cc(ccc1-c2cccn3c2nc(N)n3)F	982
+c1ccccc1CN2C(c3cc(nn3CC2)-c4ccc(cc4)F)=O	10986
+c1cc(ccc1F)-c2cc(CNc3c(N)cnc4cccnc34)on2	13
+c1cc(ccc1-c2nnc(O)c(O)c2)F	390
+c1cc(ccc1-c2c(C(O)=O)ccc(OC)c2)F	1
+c1cc(ccc1-c2cc(nn2-c3cnc(OC)cc3)C(O)=O)F	6
+c1cc(ccc1F)C(=O)C=C(N)C	10987
+c1cc(ccc1F)-c2cc(no2)C(=O)NCCC(O)=O	4
+c1cc(ccc1F)-c2cc(no2)C(NCCCC(=O)O)=O	4
+c1cc(ccc1F)-c2cc(on2)CNc3c4ccccc4nc(Cl)c3N	13
+c1cc(ccc1F)-c2ccc(COc3cc(c(cc3)CCCCn4nncc4)C)c(C)n2	751
+c1cc(ccc1F)-c2ccc(cc2)C(N(C)C3CCc4c(ccc(CN)c4)C3)=O	107
+c1cc(ccc1F)-c2csc3ncnc(CCCCOc4cc(C(OC)=O)cnc4)c23	1286
+c1cc(ccc1F)-c2n3ccc(C=O)cc3cc2C(OCC)=O	39
+c1cc(ccc1F)-c2nc(c(o2)CC(C)C)CC(O)=O	3
+c1cc(ccc1F)-c2nc(C)c(cc2)CO	351
+c1cc(ccc1F)-c2cn3c(sc(C(O)=O)c3C)n2	6
+c1cc(ccc1F)-c2nc3ncccn3c2C(Nc4ccc(cc4)Cl)=O	466
+c1cc(ccc1-c2nc3n(cc(cc3)Br)c2C(=O)O)F	6
+c1ccccc1C#Cc2ccc3c(c(-c4ccc(cc4)F)nn3C5OCCCC5)c2	455
+c1cc(ccc1F)-c2c(c3N(CCn3n2)CCCO)C=4C=CC(=O)N(c5c(cccc5)C)N=4	21
+c1cc(ccc1F)-c2c(Cc3cccc(C(O)=O)n3)c4n(n2)cc(cc4)OC	1
+c1cc(ccc1F)-c2cc(c(O)nn2)OC	104
+c1cc(ccc1F)-c2c(n(nn2)C)C#Cc3ncc(C(OC)=O)cc3	943
+c1cc(ccc1F)-c2noc(C)c2COc3ccc(cn3)C(=O)O	1
+c1cc(ccc1)C=Cc2c(COc3ccc(C(=O)OC)cn3)c(no2)-c4ccc(cc4)F	91
+c1cc(ccc1F)-c2oc3c(c2C(OC)=O)c4CC(C)Oc4c(c3)N	0
+c1cc(ccc1F)-c2c(C(=O)OC)c3cc(Br)c(N)cc3o2	0
+c1cc(ccc1F)-c2oc3ccc(cc3c2C(NC)=O)-c4cccc(-c5nn(nn5)Cc6ccccc6)c4	4764
+c1cc(ccc1F)-c2ncc(C3(CCCc4cnccc34)O)s2	5089
+c1cc(ccc1F)-n2c(ncn2)-c3ccc(cc3)N	0
+c1cc(ccc1F)-n2c(-c3cn(-c4ncc(C(O)=O)cc4)cn3)c(nn2)C	1
+c1cc(ccc1-n2c(SCc3c(ccc(F)c3F)F)ncc2C=O)F	5090
+c1cc(ccc1F)-n2c(ncc2C(C)(C)c3cc(c(cc3)Cl)OC)CCc4c(cc(cc4Cl)C(=O)O)F	6
+c1cc(ccc1-n2c(C=O)c(c(n2)C(OC)=O)C(C)C)F	178
+c1cc(ccc1F)-n2c(COc3cnc(C(=O)O)cn3)c(C)nn2	1
+c1cc(ccc1F)-n2ncc(C(=O)c3cccc(c3)N)c2N	0
+c1cc(ccc1F)-n2nnc(C)c2COc3ncc(cc3)C(=O)OC	91
+c1cc(ccc1F)-n2c(COc3cnc(C(=O)OC)cn3)c(C)nn2	799
+c1cc(ccc1F)-n2ccc3c2ccc(O)c3	16
+c1ccccc1COC(=O)N2CCC(CC2C(=O)N)C(CC)NC(=O)c3c4cnn(c4cnc3)-c5ccc(cc5)F	56
+c1cc(ccc1F)-n2ncc(C(O)=O)c2N	6
+c1cc(ccc1F)-n2c3cncc(C(=O)O)c3cn2	6
+c1cc(ccc1F)-n2ncc3cc(C(C)(C)C(C)(C)C(=O)O)ccc23	4
+c1cc(ccc1)C(c2cc3c(n(-c4ccc(cc4)F)nc3)cc2)C(C)(C)C(O)=O	4
+c1cc(ccc1)C(Oc2c(cc3n(-c4ccc(cc4)F)ncc3c2)C)C(C)N	669
+c1cc(ccc1F)-n2ncc3cc(c(C)cc23)OC(C(C)NC(CO)=O)c4cccc(OC)c4	948
+c1cc(ccc1F)-n2ncc3cc(Oc4ccc(N)cn4)ccc23	13
+c1cc(ccc1F)-n2c(c(nn2)C)CO	1125
+c1cc(ccc1F)-n2nnc(C)c2COc3ccc(cn3)C(=O)O	1
+c1cc(ccc1OC)CN2N=C(CO)C=C(c3ccc(cc3)F)C2=O	10988
+c1cc(ccc1-c2ncc(cc2)C(=O)N)F	140
+c1cc(ccc1C=2C=NN(Cc3ccccc3)C(=O)C=2)F	10989
+c1cc(ccc1F)-c2nc3c(nc(N)nc3cc2)O	691
+c1cc(ccc1-c2n3nc(ccc3nc2-c4cc(c(cc4)C)[N+]([O-])=O)OC)F	1414
+n1cc(cnc1C(NC2CN(c3nccn4cccc34)CC2)=O)-c5ccc(cc5)F	537
+n1cc(cnc1Cl)-c2ccc(cc2)F	537
+c1cc(ccc1F)-c2c3c(ncc(C(=O)N)c3)cnc2	1151
+c1cc(ccc1-c2n(cnc2-c3nccc(C#N)c3)CCc4c(Cl)cccc4)F	1234
+c1ccccc1COc2nn3CCN(c4ccc(cc4)F)C(c3c2)=O	1464
+c1cc(ccc1F)-n2c3c(cc2)cc(cc3)OCc4ccccc4	3371
+c1cc(ccc1C#Cc2cc3c(N=C(c4cc(ccc4)-n5ccnc5)CC(=O)N3)cc2)F	1222
+C1CC(CCN1C)C(O)c2ccc(cc2)F	74
+c1cc(ccc1F)C(C2CCN(CC2)CC(=O)NCc3nc(c4COCCc4n3)O)=O	9
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(=O)N(C(CC)C)Cc3nc4c(c(O)n3)COCC4	10
+c1cc(ccc1F)C(=O)C2CCN(CC2)CCCCN3C(=O)c4ccc(N)cc4NC3=O	0
+c1ccccc1S(=O)(=O)N2CCC(CC2)C(c3ccc(cc3)F)=O	92
+c1cc(ccc1F)Nc2nc(-c3ccc(cc3)F)cs2	354
+c1cc(ccc1F)-c2cc(nn2-c3ccc(nc3)OC)C(OCC)=O	10990
+c1cc(ccc1F)C(=O)N(Cc2c(OCCCCCC(=O)O)cccc2)C(C)C	3
+c1cc(ccc1C(N2CCCC(C2)c3nc(-c4ncc(cc4)F)on3)=O)F	10991
+c1cc(ccc1)Cc2nc(C3CN(CCC3)C(=O)c4ccc(cc4)F)no2	4097
+c1cc(ccc1C(c2c(nccc2)C(=O)OC)=O)-n3ccnc3	431
+CC(C)(c1ccc(cc1)F)CN	51
+c1cc(ccc1F)C(C)(C)CCC=O	378
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(O)=O	3
+c1cc(ccc1C(CNC)O)F	25
+c1cc(ccc1F)C(N2CCN(CC2)C(C)C)CN3CCN(CC3)CCCc4c(cccc4)-c5ccccc5	15
+c1cc(ccc1F)C(CN2CCN(CC2)C(CCc3c(-c4ccccc4)cccc3)=O)N5CCN(CC5)C(C)C	10
+C1CN(CCN1C(C)C)C(c2ccc(cc2)F)CN3CCN(CC3)CC=Cc4c(cccc4)-c5ccccc5	1863
+c1cc(ccc1F)C(CN2CCNCC2)N3CCN(CC3)C(C)C	215
+c1cc(ccc1F)C(=O)NC2CCNCC2	25
+c1cc(ccc1C(Nc2nc(c(F)cc2CN)Nc3[nH]nc(c3)C4CC4)C)F	388
+c1cc(ccc1C(C)Nc2c(cc(c(n2)Nc3cc([nH]n3)C)F)N)F	13
+c1cc(ccc1C(Cc2c(ccc(-c3sccc3)c2)OC)=O)F	155
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCN(CC3)Cc4ccccc4	5059
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(C(=O)O)C#N	108
+c1cc(ccc1C(c2ccc(cc2)F)=C(n3cnnn3)C(=O)O)F	108
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(n3nnnc3)C=CC(O)CC(O)CC(=O)OCC	770
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCNCC3	25
+c1cc(ccc1C(c2ccc(cc2)F)CC(OCC)=O)F	5053
+c1cc(ccc1F)C(c2ccc(cc2)F)CCN(CCc3ncccn3)Cc4ccccc4	61
+c1cc(ccc1C(c2ccc(cc2)F)CCNCCc3ncccn3)F	25
+c1cc(ccc1F)C(c2ccc(cc2)F)CC=O	24
+c1cc(ccc1F)C(O)c2ccc(cc2Cl)Cl	488
+C1CC(CCC1(c2ccc(cc2)F)CO)=O	21
+c1cc(ccc1F)C2(CCCCC2)CCC(=O)O	3
+c1cc(ccc1F)C2(c3ccc(cc3)F)C(N(CC2)CC(O)=O)=O	3
+c1cc(ccc1C2CC(NC(C)=C2C(O)=O)=O)F	127
+c1cc(ccc1C2c3nc(Nc4cc(c(-n5cc(nc5)Cl)cc4)OC)sc3CC(=O)C2)F	97
+c1cc(ccc1F)C2CCC(C#N)N2S(=O)(=O)c3ccc(cc3)C	143
+C1CC(CCC1c2ccc(cc2)F)=O	97
+c1cc(ccc1C2c3c(CC2)c(N4CC(F)(F)C4)nc(Nc5ccc(-n6cnc(Cl)n6)c(OC)c5)n3)F	55
+C1CC2(CCN1)CN(C(=O)c3cc(Cl)ncc3)CC2c4ccc(cc4)F	25
+c1cc(ccc1F)COc2ccc(cc2)O	22
+c1cc(ccc1CC2CCCN(c3sc(C(NCc4ccccc4)=O)c(C)n3)C2=O)F	1554
+c1cc(ccc1Cc2ccco2)F	2233
+c1cc(ccc1Cn2c3cc(Br)ncc3cc2-c4cnn(c4)C)F	190
+c1cc(ccc1CNCc2nc(c3c(CCOC3)n2)O)F	370
+c1cc(ccc1F)CC(C(O)=O)c2cc(ccc2)S(=O)(=O)C	4
+c1cc(ccc1CC(C)(C)C(=O)O)F	3
+c1ccccc1C(c2ccccc2)(C(=O)N)CCC(C)(C)N(C)CCc3ccc(cc3)F	28
+c12cc(ccc1CCCC2=O)F	214
+c1cc(ccc1F)CCN2CC(CN)C(C)CC2	18
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4ccc(cc34)C(c5ccccn5)O	3059
+c1cc(ccc1F)CCN2CCC(CC2)N3c4cc(C#N)ccc4CC3	1308
+c1cc(ccc1F)CCN2CCC(CC2)N3c4c(CC3)ccc(Cc5ccccn5)c4	3156
+c1cc(ccc1F)CCN2CCC(CC2)n3c4cc(C#N)ccc4cc3	5091
+c1cc(ccc1F)CCN2CCC(CC2)N3c4c(ccc(C(O)C)c4)CC3	74
+c1cc(ccc1F)CCc2ccc(C(O)=O)cc2C(OC)=O	1
+c1cc(ccc1F)CCc2ccc(cc2C(OC)=O)CO	49
+c1cc(ccc1F)CCn2nc(cc2)-c3sc(c(C)n3)C(O)=O	6
+c1cc(ccc1CN(C(=O)CC(=O)C(=O)O)OC)F	10992
+c12cc(ccc1cncc2)F	10993
+c1c2c(ccc1)CC(C2)NC(=O)c3sc(N4CCN(Cc5ccc(cc5)F)C4=O)cc3C	227
+c1cc(ccc1F)CN2C(N(CC2)c3nc(c(s3)C(O)=O)C)=O	6
+c1cc(ccc1F)CN2C(N(c3sc(c(C)n3)C(O)=O)CC2C)=O	6
+C1C2COCC(CN1)N2Cc3ccc(cc3)F	25
+c1cc(ccc1F)CN2CC(N(C(=O)COc3ccc(Cl)cc3C(O)CCC(O)=O)CC2C)C	74
+c1cc(ccc1F)CN2CC(C)N(CC2C)C(COc3c(cc(cc3)Cl)C(CCC(O)=O)=O)=O	3
+c1cc(ccc1F)CN2CC(N(CC2C)C(COc3c(cc(Cl)cc3)CC(O)=O)=O)C	3
+C1CC(CCN1Cc2ccc(cc2)F)CCN	45
+c1cc(ccc1F)CN2CCC(CC2)CCN3C(c4ccccc4C3=O)=O	332
+c1cc(ccc1F)CN2C(=O)N(CC2)c3cc(c(C(=O)O)s3)C	6
+c1ccccc1COc2c(ncc(c2O)C(NCc3ccc(cc3)F)=O)C=O	178
+c1cc(ccc1F)CNC(=O)C2=C(C(N(C)C(=N2)C(C)(C)N)=O)O	102
+c1cc(ccc1F)COc2cc(O)ncc2	3045
+c1cc(ccc1F)COCC2COCc3nc4c(c5ccccc5nc4N)n23	445
+c1cc(ccc1F)COc2c(C=3CCCCC=3c4cccc(C(O)=O)n4)cc(Cl)cc2	6
+c1cc(ccc1F)COc2cc(F)c(N)cc2	0
+c1cc(ccc1Cc2cnc(C#N)c(Nc3ccc(cc3)F)c2)F	1674
+c1cc(ccc1F)Cc2noc(C=3N=C(N(C)C(C=3O)=O)C4CCCC4)n2	3849
+c1cc(ccc1F)Cn2c3c(c4ccccc24)CC5CNC(=O)N5C3	10994
+c1cc(ccc1)CN2CC(N3CCC(CC3)Nc4n(c5c(cccc5)n4)Cc6ccc(cc6)F)CCC2	85
+c1cc(ccc1F)N2C(c3c(N=C2CN)cccc3)=O	102
+c1cc(ccc1F)N2C(N(C=C(C(=O)Nc3ccc(cc3)Oc4ccnc5cc(OC)cc(c45)OC)C2=O)CC)=O	10995
+c1cc(ccc1N2CC(C)(C)NCC2)F	25
+C1CN(CCN1c2ccc(cc2)F)c3c(-c4ccc(cc4)N(C)C)nc(OC)cc3	244
+c1cc(ccc1F)N2CCN(CC2)C(=O)Oc3ccc(cc3)[N+]([O-])=O	66
+c1cc(ccc1F)NC(Nc2ccc(cc2)Oc3cc(ncc3)C(=O)NCC4CC4)=O	124
+c1cc(ccc1F)NC(=O)Nc2ccc(cc2)Oc3ncnc4[nH]c(C(=O)OCC)cc34	124
+c1cc(ccc1F)NC(=O)Nc2c(cccc2)N	124
+c1cc(ccc1F)NC(=O)Nc2ccc(cc2)Oc3ncnc4c3cc(CO)[nH]4	194
+c1cc(ccc1F)NC(=O)Nc2ccc(cc2)Oc3ncnc4[nH]c(cc34)C=O	178
+c1cc(ccc1F)NC(c2c(Cl)cccc2N)=O	0
+c1cc(ccc1)CCOC(=O)COc2ccc(C(=O)Nc3ccc(cc3)F)cn2	10996
+c1cc(cc2C(=O)C(=O)Nc12)F	1418
+c1cc(ccc1F)NC(=O)CCN2CCNCC2	25
+c1c(cc2c3C(NCCc3[nH]c2c1)=O)F	10997
+c1cc(ccc1F)-n2c3c(cn2)C4CC3CN(Cc5ccccc5)C4	10998
+c1cc(ccc1F)Nc2ncnc3cc(OC)c(O)cc23	173
+c12[nH]c3c(c1ccc(F)c2)cc(F)cc3	10999
+c1cc(ccc1CC(Oc2ccc(cc2)F)C(O)=O)OCCON=C(c3ccc(cc3)-c4ccc(cc4)F)C	3
+c1cc(ccc1O)CC(Oc2ccc(cc2)F)C(OCC)=O	16
+c1cc(ccc1F)OC(NC(C(C)C)C(=O)NC(COc2ccc(cc2)C#N)C)=O	9
+c1cc(ccc1F)OCC=O	571
+c1cc(ccc1OCCC(CCC=C)C(=O)OCC)F	2283
+c1cc(ccc1F)Oc2c(Nc3ccc(C#N)cn3)ncc(Sc4ncccn4)c2	346
+c1cc(ccc1F)Oc2ccc(cc2)CCNc3ncc(c(O)n3)Cc4cnc(nc4)OC	785
+c1cc(ccc1F)Oc2c(N)c(ccc2)C(=O)O	1
+c1cc(ccc1F)S(=O)(=O)N(C(C)C)CC(=O)O	4
+c1cc(ccc1F)S(=O)(=O)N2CCCc3cc(c(cc23)N)C	0
+O=S(=O)(N1C(C(O)=O)CN(CC1)C)c2ccc(cc2)F	3
+c1cc(ccc1F)S(=O)(=O)c2c(Cn3c4c(c(c3C)CC(O)=O)ccc(F)c4)cccc2	3
+c1cc(ccc1F)Sc2c(C=O)c(ccc2)F	39
+c1cc(ccc1F)Sc2cccc(F)c2CO	611
+c1cc(ccc1[N+]([O-])=O)Oc2ccc(cc2)-c3occn3	46
+c1cc(ccc1[N+]([O-])=O)N2CC3CCC(COc4ccc(cc4)F)CN3CC2	34
+c1cc(ccc1)-c2c(c(on2)C)-c3cn(c(COCc4ccccc4)n3)-c5ccc(cc5)[N+](=O)[O-]	431
+c1cc(ccc1I)-n2cnc(c2)CN	18
+c1cc(ccc1Br)C#Cc2ccccc2	129
+c1cc(ccc1I)-c2noc(C)n2	4203
+c1cc(ccc1-c2oc(nn2)-c3cccc(OC)c3)I	1782
+c1cc(ccc1Cl)C#Cc2ccc(c(C#N)n2)N	129
+c1cc(ccc1Cl)N2CCc3n(-c4c2cccc4F)c(nn3)C	2335
+c1cc(ccc1I)N2C=CC=CC2=O	3044
+c1cc(ccc1I)-n2cnc(CO)c2	1444
+c1cc(ccc1-n2cc(CO)nc2)N3C=CC=CC3=O	1444
+c1ccccc1S(=NC(=O)c2cnc(N)c(C#Cc3ccc(cc3)O)c2)(C)=O	129
+c1cc(ccc1I)OCc2c(oc(C(=O)OC)c2)C	20
+c1cc(ccc1I)OCc2c(oc(c2)C(=O)O)C	1
+c1cc(ccc1N(C(CNc2ccc(cc2N)F)=O)C(C)C)OC	0
+C1CN(CCC1CN(C(CC)=O)c2ccc(cc2)Cl)CCc3ccccc3	28
+c1cc(ccc1N(CC2c3ccccc3CCC2)C)OC	15
+c1cc(ccc1N(C)C)-c2ccc(C(=O)Nc3cc(CC(O)=O)ccc3)o2	3
+c1cc(ccc1N(CCO)C)-c2sc3c(cccc3)n2	11000
+c1cc(ccc1N(C)CCOC)C(=O)O	6
+c1cc(ccc1N(C)c2c3c(nc(C)n2)cccc3)OCC(=O)O	4
+c1cc(ccc1N(CC(Nc2ccc(cc2)Cl)=N)C)F	4303
+c1ccc2C(=O)N(C(=O)c2c1)CCN(c3ccc(cc3)Nc4ncnc(c4)-c5cc(ccc5)-c6ccccc6)CC	851
+c1cc(ccc1N(C)CC2c3ccccc3CCC2)O	5
+c1cc(ccc1N(CCCC)CCCC)C=Cc2ccc(cc2)C=C	443
+c1cc(ccc1N(C(C2c3ccc(cc3CCC2)O)=O)Cc4ccc(cc4)N(C)C)C(C)C	16
+c1cc(ccc1NC(Nc2ccc(cc2)-c3c(c(sn3)NC(=O)NCCCN4CCCC4)C(N)=O)=O)C	124
+c1cc(ccc1-c2cc(C)ncc2)NC(C(c3ccc(cc3)[N+]([O-])=O)C)=O	26
+CC(C)n1c2ncnc(Cl)c2c(c1)-c3ccc(cc3)NS(=O)(=O)c4ccccc4	69
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)-c3nc(c(cn3)OC)N4CCOCC4	90
+c1cc(ccc1-c2nc3[nH]ncc3c(n2)OC4CCC(CC4)O)N	1002
+c1ccccc1C(=O)Nc2ccc(cc2)-c3occ(-c4cc(Cl)ccc4)n3	50
+c1cc(ccc1Nc2c3nccn3c(cn2)Br)-n4ccnc4	1638
+c1cc(ccc1Nc2c3ccc(C)c(Nc4c(cccn4)-c5c6cn[nH]c6ncn5)c3ccn2)C#N	201
+C1CCCC1CC(C(=O)O)c2ccc(cc2)NC(c3ccccc3)=O	50
+c1cc(ccc1C2SCCNC2)N	15
+c1cc(ccc1NC(=O)c2cc3c(cc2)cccc3)CN4c5c(c(ccc5OC)CC6C(=O)NC(=O)S6)CCC4=O	67
+c1cc(ccc1Cc2cc3CC(Nc3cc2)=O)NC(=O)c4n(nc(c4)C)CC	187
+c1cc(ccc1NC(c2ccccc2)=O)Cc3cn(C)c4ccc(C(=O)OC)cc34	50
+C1CCCN1c2c(c(nc(Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)n2)C)CC(OC)=O	67
+n1c(Cl)c(c(nc1Cc2ccc(cc2)NC(c3cc4c(cc3)cccc4)=O)Cl)CC(OC)=O	67
+c1cc(ccc1NCCCOc2ccc(cc2)C=C(C)C(OC)=O)Cl	1350
+c1cc(ccc1Nc2c(OC)cc3C45CCCCC4C(Cc3c2)N(CC5)C(OCc6ccccc6)=O)Cl	1215
+c1cc(ccc1)Oc2c(cc(cc2)C(=O)c3ncc(Nc4ccc(cc4)Cl)cc3)C(OC)=O	1674
+c1cc(ccc1NC(c2cccnc2SCc3ccncc3)=O)Cl	246
+c1nc(ncc1C(=O)OCC)Nc2ccc(cc2)Cl	55
+c1cc(ccc1Nc2c(N)c(ncn2)Cl)Cl	73
+c1cc(ccc1F)NC(=O)c2ccc(nc2)Cl	971
+c1cc(ccc1F)Nc2nc(Nc3cc(c(cc3)F)Cl)ccn2	55
+c1cc(ccc1N=Cc2cccc(-c3ccccc3)c2O)I	457
+c1nc(ncc1)Nc2ccc(cc2)I	55
+c1cc(ccc1N(C(=O)C)C)Nc2nc(c3c([nH]cc3)n2)NCCCCCN	55
+c1cc(ccc1C(Nc2ccc(cc2)N3C4C(CC3)N(C)CC4)=O)OCCCC	67
+Nc1ccc2nc3c(c(c2c1)O)cc(cc3)[N+]([O-])=O	11001
+c1cc(ccc1OCC)NCCNCc2ccccc2	1350
+c1cc(ccc1Nc2c(c(Cl)nc3ccnn23)CCCO)OCC	11002
+c1cc(ccc1)N2N(C(=C(C2=O)C(Nc3ccc(cc3)Oc4c5c(cc(OCC(O)C)cc5)ncc4)=O)C)C	1349
+c1cc(ccc1NC(C=2C(=O)N(c3ccccc3)N(C=2C)C)=O)Oc4cc(ncc4)N	1349
+c1cc(ccc1Nc2ccc(cc2)S)[N+](=O)[O-]	1370
+c1cc(ccc1Sc2nc(ncc2)Cl)N	1124
+n1cc(cnc1Sc2ccc(cc2)N)Br	11003
+c1cc(ccc1N)Sc2ccnc3cccnc23	11004
+c1cc(ccc1N2CCC(CO)C2=O)Cl	4756
+c1cc(ccc1N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl)N	0
+c1cc(ccc1NC(c2ccc(cc2)N3C(=O)CCc4ccccc34)=O)OC	50
+C1=CN(c2cccc(c2)F)C(=O)n3cc(nc13)CCl	11005
+c1cc(ccc1)COc2ccc(cc2)C3C(CCC(=O)c4ccc(cc4)F)C(=O)N3c5ccc(cc5)F	832
+c1cc(ccc1N2C(C(=O)O)=CNC2=S)F	108
+c1cc(ccc1N2C(C)c3c(N(C2=O)c4cccc(C#N)c4)nc(Nc5cc(CCO)ccc5)nc3)OC	59
+c1cc(ccc1-n2c(cc3c(c(OC)cc4ncnc2c34)OC)CI)Cl	11006
+c1cc(ccc1N2CC(CN)OC2=O)I	18
+c1cc(ccc1CC(O)=O)N2C(=O)N(CC(Nc3cc(c(cc3OC)OC)Cl)=O)c4c(C2=O)cccc4	3
+c1cc(ccc1O)CC2c3c(cc(O)cc3)CCN2c4ccc(cc4)NC(=O)C	5
+c1cc(ccc1)N2C(C=3C(c4ccc(cc4)Cl)=NCc5onc(C)c5C=3C=C2)=O	11007
+c1cc(ccc1N2CC(CC2=O)COC)C	21
+c1cnccc1C(N2C(CN(CC2C)c3ccc(cc3)OCCCN4CCCCC4)C)=O	30
+c1cc(ccc1F)N2CC(CO)CC2=O	44
+c1cc(ccc1N2CC(CO)CC2=O)C	88
+C1CN(CCC1(OC)Cc2c(F)cccc2)c3ccc(cc3)C#N	274
+c1cc(ccc1Br)N2CCC(CC2)O	100
+c1cc(ccc1Cl)N2CCC(CC2)C=O	378
+c1cc(ccc1N2CC(CC2)N=C(N)N)[N+]([O-])=O	4967
+C1CC(CCN1c2ccc(cc2)NS(=O)(=O)c3ccc(cc3)NC(C)=O)=O	97
+c1cc(ccc1N2CCCN(C2=O)C)N	0
+c1cc(ccc1-c2nc(c3c(cc(OC)cc3OC)n2)O)N4CCNC(C)C4	526
+C1CN(CCN1CCCCc2c3c([nH]c2)cccc3)c4ccc(cc4)OC	15
+c1cc(ccc1N2CCN(CC2)c3nc(-c4ccccc4)c(s3)C(=O)OCC)OC	11008
+C1CN(CCN1c2ccc(cc2)N)C(O)C	0
+C1CN(CCN1c2ccc(cc2)N)C(OCCN(C)C)=O	0
+C1CN(CCN1c2ccc(cc2)N)C(OCc3ccccc3)=O	0
+c1cc(ccc1CC(C(O)=O)C)N2CCN(CC2)C	3
+c1cc(ccc1N=C=S)N2CCN(CC2)C	1034
+c1cc(ccc1N2CCN(CC2)C)Nc3nc(ccn3)Nc4ccc(c(C#N)c4)F	55
+c1cc(ccc1N2CCN(CC2)CC(=C)C)N	0
+c1cc(ccc1N2CCN(CC2)c3nc(-c4ccccc4)c(s3)C#N)OC	1812
+c1cc(ccc1[N+]([O-])=O)OC(=O)N2CCN(CC2)c3ccc(cc3)[N+]([O-])=O	66
+c1cc(ccc1N2CCOC2=O)-c3ccc(CCC(=O)O)n3-c4c(C)cc(C(N)=O)cc4	3
+c1cc(ccc1N2CCOCC2)-c3c(C4C(C(O)=O)CC(CC4)F)nc(s3)C	4
+C1COCCN1c2ccc(cc2)CN	107
+C1COCCN1c2ccc(cc2)Nc3nccc(Sc4ccc(cc4)NC(C=C)=O)n3	55
+C1COCCN1c2ccc(cc2)Nc3nc(O)c4c(c(-c5cc(ccc5)[N+]([O-])=O)ncc4)n3	744
+c1cc(ccc1N2CCOCC2)NC(c3ccc(cc3)-c4nc(sc4)C(O)=O)=O	6
+c1cc(ccc1N2CCOCC2=O)CC(O)=O	3
+c1cc(ccc1N2C(c3ccc(cc3CC2)OC)Cc4ccc(cc4)O)NC(=O)C	16
+c1cc(ccc1OCC2=C(C(=O)N(c3ccc(cc3)F)N2C)C4CC4)F	11009
+c1cc(ccc1N2c3c(cccc3)CCC2=O)C(=O)O	1
+c1ccccc1C(C=C)c2c(OCCC)c(cc(Br)c2)NC(=O)Nc3ccc(cc3)C	124
+c1cc(ccc1NC(=O)Nc2c(cccc2)N)Cl	124
+c1cc(ccc1Cl)NC(Nc2c(OCc3c(Cl)cccc3)cccn2)=S	11010
+c1cc(ccc1NC(=O)C)C(CC(=O)OCC)O	2261
+CN(C)C(CC)C(c1ccc(cc1)NC(=O)C)n2ccnc2	4309
+c1cc(ccc1NC(=O)C)C=CC(=O)OCC	11011
+c1cc(ccc1CCC(OCC)=O)NC(=O)C	159
+c1cc(ccc1NC(=O)C)Cc2[nH]c3N(C(NC(c3n2)=O)=O)CCCC	4722
+c1cc(ccc1CCCCO)NC(=O)C	59
+c1cc(ccc1)N(c2ccccc2)c3ccc(cc3)C=Cc4ccc(cc4)C=Cc5ccc(cc5)NC(C)=O	914
+c1cc(ccc1N2C(=O)NCC2)N	106
+c1cc(ccc1N)S(=O)(=O)Nc2cc(Cl)nc(n2)NCC	106
+c1cc(ccc1Sc2c(cc(C)cc2)N)NC(=O)C	0
+c1cc(ccc1N)Sc2n3c(nccc3)nc2	106
+c1cc(ccc1)OC(NC2CC(CN(C2)C(=O)c3cccc(-c4occc4)c3)C(Nc5ccc(cc5)Cl)=O)=O	101
+O=S(=O)(c1ccc(cc1)NCC2CCCC2)C	15
+c1ccccc1CN2CCN(C(=O)c3cccc(-c4occc4)c3)CC2C(=O)Nc5ccc(cc5)Cl	11012
+c1cc(ccc1NC(=O)C2CN(C(=O)c3cc(-c4occc4)ccc3)CCN2)Cl	679
+c1cc(ccc1C)NCCc2cnc(Cl)cc2	15
+c1cc(ccc1NC(=O)NC2(C(=O)N(CC=O)c3ccccc23)CC(Nc4ccc(cc4)C)=O)C	598
+c1cc(ccc1[N+]([O-])=O)N2C(NCCC2)=O	4102
+c1cc(ccc1-c2cc(n3nccc3n2)NCc4c(cc(cc4)Cl)Cl)N5CCNC5=O	1760
+c1cc(ccc1Cl)NC(Nc2c(cccc2)NS(=O)(=O)c3ccccc3)=O	69
+c1ccccc1NC(=O)Nc2ccc(cc2)-c3c(c(cc4ccc(Cl)cc34)CC(=O)O)C	4
+c1cc(ccc1NC(c2n[nH]cc2N)=O)F	209
+c1cc(ccc1Cn2nc(c3cccnc23)CC(O)=O)NC(=O)c4cc5c(cc4)cccc5	4
+c1cc(ccc1NC(=O)c2ccc3c(n(nc3CC)C4CCCC4)c2)C(O)=O	1
+c1cc(ccc1NC(=O)c2ccc3c(n(nc3CC)C4CCCC4)c2)C(NO)=O	2618
+c1cc(ccc1NC(=O)c2ccc3c(n(nc3CC)C4CCCC4)c2)C(NOCc5ccccc5)=O	514
+c1cc(ccc1NC(C(c2ccc(cc2)F)C)=O)-c3cc4nc(nn4cc3)N	2070
+c1cc(ccc1NC(C)CN(C)C)N	0
+c1cc(ccc1NC(=O)C2CC(CN(C(=O)c3cc(-c4occc4)ccc3)C2)N)Cl	18
+c1cc(ccc1N)NC(C2N(CCN(c3cc(Cl)c(cc3)Cl)C2)CC)=O	0
+CC1(C)c2cc(ccc2NC(=O)C1)F	1620
+c1cc(ccc1NC(=O)NC2(CC(=O)O)C(N(c3ccccc23)CC(OCC)OCC)=O)C	3
+c1cc(ccc1NC(=O)C)N2CCNC2=O	1760
+CC(C)C(N1Cc2c(ccc(c2)-c3ccc(cc3)NC(Nc4c(C)cccc4)=S)C1=O)C(O)=O	4
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(N3CCCC(N)c4ccccc34)=O	18
+c1cc(ccc1CC(C(O)=O)NC(=O)C2(CCCC2)CCOC)NC(c3c(Cl)cccc3Cl)=O	4
+c1cc(ccc1NC(=O)c2cc(ccc2OC)N)Br	0
+c1cc(ccc1NC(c2c(F)c(O)ccc2Cl)=O)CC(OCC)=O	5
+c1cc(ccc1NC(c2c(c(OCc3cc(Cl)ccc3)ccc2Cl)F)=O)CC(O)=O	3
+c1cc(ccc1NC(c2c(c3c(cccc3OC)o2)C)=O)-c4ccc(cc4)S(=O)(=O)NC(C(C)C)C(O)=O	4
+c1ccccc1C(Nc2ccc(cc2)CCC(=O)O)=O	159
+c1cc(ccc1NC(c2ccccc2)=O)Cc3cn(C)c4c3cc(cc4)C(=O)O	1
+c1cc(ccc1C)-c2c(cccc2)C(Nc3ccc(cc3)C(=O)N(C)c4c(CO)cccc4)=O	217
+O=S(=O)(Cc1ccc(cc1)NC(c2ncnc(c2)N(CC3CC3)C4CCCCC4)=O)CCC(=O)O	3
+c1cc(ccc1)OCC(c2oc3c(cccc3)c2C)Nc4ccc(cc4)C(=O)O	1
+c1cc(ccc1[N+](=O)[O-])Nc2c3ncn(C)c3nc(Cl)n2	1545
+c1cc(ccc1C(=O)O)NCCCCCC(=NO)CCCCCCCCCC	6
+c1ccccc1OCCCCCCCCCCCNc2ccc(cc2)C(=O)O	6
+c1cc(ccc1NCCCN2CCN(CC2)C)N	0
+c1cc(ccc1N)NCCc2cnccc2	0
+c1cc(ccc1NCc2c(C)oc(c2)C(=O)O)-c3ccccc3	1
+c1cc(ccc1NNC=O)N	0
+c1cc(ccc1NS(=O)(=O)C)-c2nn3c(nnc3Cc4ccc(cc4)Cl)cc2	2736
+c1cc(ccc1NS(=O)(=O)C)C(N)C	840
+c1cc(ccc1CO)NS(=O)(=O)C	217
+c1cc(ccc1NS(=O)(=O)CC)Cc2c(nc3c(ccc(OCC(O)=O)c3c2OC(F)F)F)CC	4
+O=S1(=O)CCCN1c2ccc(cc2)-c3c(c4ccc(OC)cc4n3CC)C#N	2442
+O=S1(=O)CCCN1c2ccc(cc2)[N+]([O-])=O	2442
+O=S(=O)(c1c(cccc1)N)Nc2ccc(cc2)OC	0
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3c(N)n4c(c(C(=O)O)cn4)nc3	6
+c1cc(ccc1CCN)NS(=O)(=O)c2ccccc2	102
+c1cc(ccc1Cc2ccccc2)Nc3c(CO)cnc4ccc(cc34)Cl	351
+c1cc(ccc1Cl)-n2c(-c3c(cccc3)F)nc4c2nc(C)nc4Cl	11013
+c1cc(ccc1Nc2ncccc2N)Cl	13
+c1cc(ccc1Nc2c(N)cnc(Cl)n2)I	193
+c1cc(ccc1OC)Nc2c(N)cnc(Cl)n2	193
+c1cc(ccc1OCC)Nc2nc(Nc3cnn(CCn4nccc4)c3)ncc2N	193
+c1cc(ccn1)-c2c3c(nc(nc3[nH]c2)Nc4ccc5c(CCC(=O)N5C)c4)Nc6ccc(cc6)F	392
+c1cc(ccc1Oc2ccccc2)Nc3c4c(cc(OC)c(c4)N)ncn3	0
+c1cc(ccc1Nc2nn(c3ccnc(O)c23)C(CC#N)C)S(=O)(=O)N(C)C	700
+c1cc(ccc1Nc2c3cc(-c4ccco4)ccc3nc(n2)-n5c6c(c(C(=O)CCC(=O)O)c5)cc(Br)cc6)OC	4
+c1cc(ccc1Nc2c3n(ccn3)cc(Br)n2)C(O)=O	6
+c1cc(ccc1Nc2cc(nc(C3CC3)c2)-c4cc(Cl)ccc4)CCO	44
+c1cc(ccc1Nc2cccc(c2)O)N	0
+c1cc(ccc1Nc2ccccn2)Oc3ncccc3C(=O)O	6
+c1cc(ccc1Nc2c3c(cccc3)nc(n2)-c4cccc(O)n4)Cl	104
+c1cc(ccc1C(O)=O)Nc2nc(Cl)ccc2C(=O)N	1
+c1cc(ccc1P(C)(C)=O)Nc2nc(nc3n(C=Cc4c(C)cccc4C)cnc23)-n5ccnc5	937
+c1cc(ccc1Nc2nc(N3CCOCC3)nc4CCCc24)C5(CCC5)CO	21
+c1cc(ccc1Nc2nc(N3CCOCC3)nc4CCCc24)C5(CCC5)C(O)=O	4
+c1cc(ccc1Nc2ncc(F)c(Nc3c(cccc3)C(=O)NC(C)C)n2)CO	217
+c1cc(ccc1Nc2nc(c3c([nH]cc3)n2)Nc4cc5c(cnn5C)cc4)C(=O)N	392
+c1cc(ccc1Nc2cc(N(C)C)nc(NCCc3ccccc3)n2)C	15
+CC(C)NC(=O)c1ccccc1Nc2nc(Nc3ccc(cc3)C=O)ncc2F	39
+c1cc(ccc1CCN)Nc2ncc(cc2)C(=O)N	51
+c1cc(ccc1CO)Nc2ncc3c(ccc(c3)-c4ccncc4)n2	41
+C1C(C)N(C(CN1c2nccc(-n3cnc(Nc4ccc(cc4)C(O)=O)n3)c2)C)C(=O)C	6
+c1ccccc1-c2cc(Nc3ccc(cc3)CC(C4CO4)NC(C)=O)ncn2	2080
+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(OCC)c(cc34)N	0
+c1cc(ccc1Nc2nc3cc(Oc4ccnc5c4sc(-c6ccc(cn6)CN7CCCC7=O)c5)ccc3o2)Cl	680
+c1cc(ccc1Nc2oc3c(n2)cc(cc3)O)Cl	818
+c1cc(ccc1O)-c2c(CC)c(-c3c(cc(O)cc3)F)cnc2N	5
+C1CC(CCN1)(C)NC(=O)c2c3c(C)nn(c3nc(-c4ccc(cc4)O)c2)C5CCCCO5	25
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4cc(ccc4)O	11014
+c1cc(ccc1O)-c2cn(c3cc(ccc23)-c4cccc(c4)N)-c5ccncc5	0
+c1cc(ccc1OCc2cccc(c2)C(OC)=O)-c3nnc(CNC(=O)C(O)CCCCCCc4ccc(nc4)F)s3	22
+c1ccccc1COc2ccc(cc2)C#N	22
+c1cc(ccc1C#N)Oc2ccccn2	1237
+C12C(CN(C1)CCC(c3ccc(cc3)O)O)CC(C2)(O)c4ccccc4	74
+c1ccccc1C(c2ccccc2)CN(Cc3c(Cl)c(C(F)(F)F)ccc3)CCCOc4ccc(cc4)C(=O)OC	20
+c1ccccc1COc2ccc(cc2)C(C(O)=O)O	22
+c1cc(ccc1)-c2cc(nc3ccccc23)-c4ccc(cc4)O	11015
+c1cc(ccc1C(CCc2cc(OC)c(cc2)O)=O)O	2301
+c1cc(ccc1O)-c2nc3n(cc(cc3)Br)c2	440
+C1(=O)c2ccccc2C(=O)N1C3CCC(CC3)Oc4ccc(cc4)C(OCC)=O	20
+c1cc(ccc1C(OCC)=O)Oc2ccccn2	1237
+c1cc(ccc1O)C(c2ccc(cc2)O)=C(CC)c3ccc(cc3)OCC(=O)O	3
+c1cc(ccc1C(c2ccc(cc2)O)=C(c3ccc(cc3)OCC(OCC)=O)CCCC)O	1051
+c1cc(ccc1C2CCC(CC2)O)O	100
+c1cc(ccc1OC)C=2OC(C)(C)C(C=2c3ccc(cc3)OCc4nc5ccccn5c4Cl)=O	2303
+c1cc(ccc1OCc2nn3ccnc3cc2)C4=C(OC(C)(C)C4=O)c5ccc(cc5)OC	412
+c1cc(ccc1C=C(C)C(O)=O)O	11016
+c1cc(ccc1CC(=O)OC)OCc2ccccc2	22
+c1cc(ccc1OCc2ccccc2)CC(C(=O)OCC)O	22
+c1ccccc1COc2ccc(cc2)CCC#N	22
+c1cc(ccc1)COC(=O)CCc2ccc(cc2)O	283
+c1cc(ccc1O)CCCCO	21
+c1cc(ccc1OCc2ccccc2)CCCCO	22
+c1cc(ccc1O)CCNc2nccc(n2)-c3cc(ccc3)C=O	1054
+c12ccccc1nc3c(cccc3)c2C(=O)Oc4ccc(cc4)CCOS(=O)(=O)c5ccc(cc5)C	1039
+c1cc(ccc1O)CNCc2ccc(cc2)-c3c(cc4c5n(cnn5)ccc4n3)-c6ccccc6	11017
+c1cc(ccc1F)OC(Cc2ccc(cc2)OCc3ccccc3)C(OCC)=O	3319
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCCOc5ccc(cc5)F	20
+c1cc(ccc1)C(CC)=C(c2ccc(cc2)OCOC)C(Nc3ccc(cc3)O)=O	4538
+c1cc(ccc1C)Sc2ccnc(n2)Nc3ccc(cc3)O	55
+c1cc(ccc1O)Nc2sc3c(cccc3)n2	11018
+c1ccccc1COc2cc(I)ccc2C=Nc3ccc(cc3)O	457
+c1cc(ccc1Nc2ncnc(c2)Cl)O	73
+c1cc(ccc1N)Oc2c(cccn2)-c3ccnc(C)c3	1605
+c1cc(ccc1N)Oc2ncnc3ccn(c23)C	1438
+c1cc(ccc1NCCCCBr)O	15
+c1cc(ccc1O)OC(=O)c2ccc(cc2)OCCCCOC(C=C)=O	852
+c1cc(ccc1OCC(C#N)(CCCC)C)O	450
+c1cc(ccc1O)OCC(Nc2ccccc2)=O	648
+c1cc(ccc1OCCOC(=O)C=C)C(=O)Oc2ccc(cc2)OC(c3ccc(cc3)OCCCCOC(=O)C=C)=O	5035
+c1cc(ccc1OCCNc2ccccc2)O	15
+c1cc(ccc1O)Oc2ccccc2N	0
+c1cc(ccc1SCCCO)OCc2ccccc2	22
+c1cc(ccc1O)OC(=O)C(C)(C)CCCCCC	16
+c1cc(ccc1CO)OC(=O)C(C)=C	41
+c1cc(ccc1O)-c2occn2	173
+c1cc(ccc1C(=Cc2cc(c(F)cc2)C)C(=O)O)O	173
+c1cc(ccc1OC(=O)C)CO	41
+c1cc(ccc1)N(C)C(=O)Oc2ccc(cc2)N	0
+C(N1c2c(ccc(c2)-c3nc(cs3)C(=O)OCC)CC1)(Nc4sc5c(cccc5)n4)=O	2143
+c1cc(ccc1OC(C)C(=O)OC)O	173
+c1cc(ccc1CCC)OC(C)C(=O)O	3
+c1cc(ccc1OC(C(Nc2scc(CC(=O)O)n2)=O)CC3CCCCC3)OC	3
+c1cc(ccc1C2CC2)OC(C(O)=O)=CC	127
+CC(C)Oc1ccc(cc1)-c2ccc(c(c2)N)O	0
+c1cc(ccc1OC(C)C)-c2nc(c(o2)C)COc3cc(C)c(CC(C(O)=O)OCC)cc3	4
+c1cc(ccc1OC(C)C)Cc2c(n[nH]c2C)OC3OC(C(C(C3O)O)O)CO	59
+c1cc(ccc1[N+]([O-])=O)OC(OC(C)C(NC2c3c(-c4c(NC2=O)cccc4)cccc3)=O)=O	3473
+c1cc(ccc1OC(NCc2ccc(S(=O)(=O)c3ccccc3)cn2)=O)[N+]([O-])=O	101
+c1ccccc1[Si](c2ccccc2)(OCC(C)(C)CNC(=O)Oc3ccc(cc3)[N+]([O-])=O)C(C)(C)C	101
+c1cnccc1CNC(Oc2ccc(cc2)[N+]([O-])=O)=O	101
+c1cc(ccc1O)C=CC(OCCCCCCCl)=O	11019
+c1cc(ccc1-c2cc([nH]n2)C=O)OC	178
+c1cc(ccc1OC)-c2c(-c3ccccc3OC)oc4ncnc(NCCCCCC(=O)O)c24	4
+c1cc(ccc1OC)-c2c(cc(cc2)Cc3c(c(c(OC)c(c3C)OC)OC)OC)C(O)=O	1
+c1cc(ccc1-c2c(C)nc(c(C#N)c2)O)O	5
+c1cc(ccc1OC)-c2c(C(O)=O)cc(cc2)CC3=C(C)C(C(=C(OC)C3=O)OC)=O	1450
+c1cc(ccc1-c2c(cnc(N)n2)C3=NN(C(C)C)C(=O)C=C3)O	5
+C1CN(CCC1c2nc(c(-c3ccc(cc3)OC)n2CC(=O)O)-c4ccc(cc4)OC)C(=O)N(C)O	4
+c1cc(ccc1-c2oc(OC)nc2-c3ccc(cc3)OC)O	16
+c1cc(ccc1O)-c2c3ccccc3c(Br)cc2	5
+c1cc(ccc1-c2c3c(ncnc3n(C(C)C)c2)N)O	5
+c1cc(ccc1OC)-c2c3c(oc2-c4ccccc4F)ncnc3NCCCCCC(=O)O	4
+c1cc(ccc1OC)-c2c(OC)ccc(CN)c2	18
+c1cc(ccc1CC2SC(NC2=O)=O)Oc3cccc(-c4ccc(cc4)OC)c3	534
+c1cc(ccc1-c2cc3NC(=O)Cc3cc2)OC	11020
+c1ccccc1Cn2c3ccc(-c4ccc(cc4)O)cc3c(C)c2C	5
+c1cc(ccc1O)-c2ccc(c(F)c2)-c3ccc(cc3)CCC	5
+c1cc(ccc1OC)-c2ccc(cc2)-c3nc(CCOc4ccc(cc4)OC(C)(C)C(=O)O)c(C)o3	3
+c1ccccc1-c2c(c3cc(ccc3n2C)-c4ccc(cc4)O)C	5
+c1cc(ccc1-c2oc(nc2)-c3cccc(-c4oc(nn4)Cc5ccc(cc5)C(=O)OC)c3)OC	1705
+c1cc(ccc1OC)-c2nc(N(CCCOc3ccc4c(ccn4CC(=O)O)c3)C)c(F)cn2	4
+c1cccc2c1C(=O)N(C2=O)CCOc3ccc(cc3)-c4oc(nc4-c5ccc(cc5)OC)OC	896
+c1cc(ccc1OC)-c2nn3ccc(Cl)cc3c2C(=O)C#C	2344
+c1cc(ccc1O)-c2c(c(N)sn2)C	5
+c1cc(ccc1-n2c3ccccc3nc2-c4c(noc4)CC)O	5
+CCC(CC)C(N)c1n(-c2ccc(cc2)OC)ncc1	18
+c1cc(ccc1-n2nc(c3c(cc(nc23)C)C(Nc4c(C)nccc4C)=O)C)O	5
+c1cc(ccc1-n2c(ccn2)N)OC	2257
+c1cc(ccc1OC)-c2cc3n(ccc(Cl)c3)n2	3169
+c1cc(ccc1CN2c3c(C(=O)N(C2=O)CC(=O)c4ccc(cc4)O)cc(s3)CC)-c5c(C#N)cccc5	5
+c1cc(ccc1OC)-c2oc(c(CC=C)n2)C	11021
+c1cc(ccc1-c2nnc(o2)Cc3cc4sc(C(OCC)=O)cc4cc3)OC	877
+c1cc(ccc1OC)Cc2c(ccc(c2)I)Cl	394
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)OC	11022
+c1cc(ccc1OC)C(=O)c2ccc(cc2)OCC(O)=O	4
+c1cc(ccc1OCC(O)=O)C(c2ccc(cc2)OC)O	488
+c1cc(ccc1C(=O)c2ccc(cc2)O)OCCCl	5
+CC(C)(C#CC(c1ccc(cc1)OC)=O)O	3145
+c1cc(ccc1OC)C(Cc2cc(ncc2)NC(=O)c3ccccc3)=O	330
+c1ccccc1CCCNC(=O)c2ccc(cc2)OC	93
+c1cc(ccc1C(c2c(Cc3ccccc3)sc4ccccc24)=O)OC	11023
+c1cc(ccc1Cc2c(cc(c(c2)Br)OCC=C)Cl)OC	452
+c1cc(ccc1Cc2cc(ccc2Cl)Br)OC	394
+c1cc(ccc1OC)C(=O)c2c(OC)cc(OC)c(c2)CCC(O)=O	4
+c1cc(ccc1OC)Cc2cc(ccc2OCc3ccccc3)OC	452
+c1cc(ccc1OC)C(c2ccc(cc2)OC)(OCc3cc(CF)cc(c3)CN)c4ccccc4	18
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CC#N	11024
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CCN	51
+c1cc(ccc1C2CCOCC2)OC	564
+c1cc(ccc1C=2C=CC(N(C=2)Cc3c(cc(Cl)cc3)F)=O)O	5
+c1cc(ccc1O)C=Cc2cccc(I)c2	5
+c1cc(ccc1CNOC)OC	1059
+c1ccccc1COC(NC2CCN(C3C(CC(CC3)NCc4ccc(cc4)OC)NC(C)=O)C2=O)=O	42
+c1cnccc1CN2CCN(CC2)c3c4c(ncc3Br)[nH]c(-c5ccc(cc5)OC)n4	2671
+c1cc(ccc1CC(=O)N2C(OCC2Cc3ccccc3)=O)OC	1840
+c1cc(ccc1O)CCCC(=O)O	5
+c1cc(ccc1OC)CCC=O	24
+C1CCCC1N2C(c3cc(OC)ccc3CC2)=O	11025
+O=S(=O)(c1ccc(cc1)Br)N(Cc2ccc(cc2)OC)C	11026
+c1cc(ccc1COC(=O)C2N(CC(O)C2)C(OCc3ccc(cc3)[N+](=O)[O-])=O)OC	11027
+O=S(=O)(Nc1nccs1)c2ccc3N(c4ccccc4C(O)CO)CCOc3c2	11028
+c1cc(ccc1CN2C(C(Cl)=C(C(OC)=O)C(=C2)C(O)=O)=O)OC	127
+CC1(C)CC(CC(N1)C(C)O)=O	11029
+c1cc(ccc1OCCC2NC(=O)N(C2)Cc3cc(C)c(C)cc3)OC(C)(C)C(OCC)=O	5068
+C1(CC(N)CC1)Oc2cc3c(c(ncc3)O)cc2	11030
+c1cc(ccc1CN2CC(CC2=O)C(O)C)OC	100
+c1cc(ccc1CN2CC(CCC2)CCCC)OC	1571
+c1cc(ccc1OC)CN2C(=O)C(Br)=CC(CO)=N2	11031
+CCOC(c1c(O)nc2c(cc(F)cn2)c1Cl)=O	11032
+N#Cc1c(O)nc2c(cc(F)cn2)c1Cl	11033
+CCOC(c1c(N)cc(Cl)nc1)=O	4316
+c1cc(ccc1OC)CNc2nccc([N+]([O-])=O)c2	174
+c1cc(ccc1OC)CNc2c(cnc(Nc3ncc(C#N)nc3)c2)N	13
+c1cc(ccc1OC)CNc2nc(ccc2)CCCCC(=O)OCCCC	587
+n1cc2c(cc1N)c(ncn2)Nc3ccc(F)c(Br)c3	755
+C(c1cccc(F)c1)n2ncc3cc(ccc23)Nc4c5cc(ncc5ncn4)N	755
+C(#C)c1cc(ccc1Cl)Nc2c3cc(ncc3ncn2)N	755
+c1c(ccc(Br)c1Cl)Nc2c3cc(ncc3ncn2)N	755
+Nc1nccc(c1)[N+](=O)[O-]	755
+C=CCOP(OCC=C)(=O)OCc1c(ccc(F)c1)C(=O)O	11034
+c1cc(ccc1)C(=O)OCC(=C)CCOCc2ccc(cc2)OC	11035
+c1(cc(cc(Br)c1OCc2ccc(cc2)OC)C(C=C)=O)Br	11036
+c1cc(ccc1OC)COc2c(c3c(cc2OCc4ccc(cc4)OC)N(CC)C=C(CO)C3=O)Cl	11037
+c1cc(ccc1COc2c(Cl)c3C(=O)C(C=O)=CN(c3cc2OCc4ccc(cc4)OC)CC)OC	11038
+c1cc(ccc1COc2c(O)ccc(c2)C=O)Cl	686
+c1c(Cl)c(OCc2cccc(F)c2)ccc1Nc3ncnc4cccc(c34)O	686
+c1cc(ccc1COc2cc(C(C(C)C)=O)c(-c3c(ccc(OC)c3)F)cc2)OC	155
+c1cc(ccc1COc2cc(c(-c3cc(OC)ccc3F)cc2)C=O)OC	39
+c1cc(ccc1OC)COc2c3n(cc(c2)N4C(=O)C=CC=C4)cc(n3)C	5092
+c1cc(ccc1S(=O)(=O)N(Cc2ccc(OCc3ccc(cc3)OC)c(Br)c2)C)F	92
+c1c(c(Nc2cc([N+]([O-])=O)c(cc2)C(=O)c3cc(ccc3C)O)ccc1F)F	686
+O(C(C)c1ccccc1Cl)c2c(sc(c2)-n3cnc4ccc(O)cc34)C(=O)OC	686
+c1cc(ccc1O)Cc2c(NCCCCC)nc(N)nc2C	5
+c1cc(ccc1O)Cc2c(ccc(c2)I)Cl	5
+c1cc(ccc1OC)Cc2cc(ccc2O)OC	16
+c1cc(ccc1Cc2ccc(cc2)-c3occn3)O	5
+c1cc(ccc1OC)Cc2nc(O)c(nn2)C(NC(C(CCCc3ccccc3)C(=O)C)=O)C	2299
+c1cc(ccc1OC)Cc2nc(O)c(C(C)NC(C(CCCc3ccccc3)C(C)O)=O)nn2	9
+O=S(=O)(Nc1cccc(c1)-c2n[nH]cc2-c3nc(N)ncc3)c4cc(ccc4F)F	1613
+c1cc(ccc1OC)Cn2nc(c(-c3ccnc(N)n3)c2)-c4cccc(N)c4	0
+c1cc(ccc1OC)Cn2cc(-c3nc(Nc4ncccn4)sc3)c(n2)Br	11039
+c1cc(ccc1OC)Cn2cc(C(O)=O)cn2	6
+C1CC1c2nc3c(c(C(OCC)=O)c2)cn[nH]3	4274
+c1cc(ccc1OC)Cn2nnc(-c3cc(C(=O)NCc4ccc(cc4)C(O)=O)ccc3)n2	1
+c1cc(ccc1N(C)c2nc(C)nc3c2cccc3)O	5
+c1c2c(ccc1)C(=O)N(C2=O)Cc3nc4ccccc4c(n3)N(C)c5ccc(cc5)OC	2884
+c1cc(ccc1OC)N(C)c2c3ccccc3nc(n2)CNC(=O)Oc4ccccc4	101
+c1cc(ccc1O)N2C(=O)C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)N=C2CC	5
+C1CN(CCN1c2ccc(cc2)O)c3ccc(cc3)N	5
+c1cc(ccc1OC)N2CCN(CC2)c3ccc(cc3)NC(=O)Oc4ccccc4	90
+c1cc(ccc1OC)N2CCN(CC2)c3ccc(cc3)N	0
+c1cc(ccc1OC)-n2c(-c3conc3CC)nc4ccccc24	11040
+c1cc(ccc1OC)Nc2nc3cnc(C(O)=O)cc3n2CCCN4CCCCC4	6
+c1nc(ncc1Br)Oc2ccc(cc2)OC	893
+CC1(C)Oc2c(C=C1)cc(OC)cc2	1318
+c1ccccc1-c2ccc(N)c(Oc3ccc(cc3)OC)c2	0
+c1cc(ccc1Oc2cc(ccc2)CN)OC	817
+O=S(=O)(N(C)C)c1ccc(cc1)O	5
+c1cc(ccc1OC)S(=O)(=O)N(C(CO)C(OC)=O)Cc2cc(C)ccc2N	0
+c1cc(ccc1S(=O)(=O)N2CCN(CC2)CC(Nc3ccccc3C(=O)N)=O)OC	33
+c1cc(ccc1S(=O)(=O)N2CCc3c2c(cc(Br)c3)N)OC	0
+c1cc(ccc1SC(CC)C)O	5
+c1cc(ccc1SCN2C(N=CC(Cl)=C2)=O)OC	11041
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)N=C=S	1034
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)N	0
+c1cc(ccc1O)Sc2c3c(ccc2)sc(C(OC)=O)c3	5
+c1cc(ccc1C#N)Sc2ccc(cc2)O	5
+c1cc(ccc1-c2cnnc(c2Oc3ccc(cc3)F)O)S(=O)(=O)C	11042
+c1cc(ccc1OCC#CC)C(=O)O	1
+c1cc(ccc1S(=O)(=O)N2C(C(=O)O)C(C)(C)SCC2)OCC#CCCOC3OCCCC3	4
+c1cc(ccc1OCC(O)C)CO	100
+c1cc(ccc1CC(OCC)C(O)=O)OCC(=O)N(Cc2c(cc(F)cc2)F)Cc3ccc(cc3)CC	3
+c1cc(ccc1CC(OCC)C(O)=O)OCC(=O)N(Cc2cccc(OC)c2OC)CCCC	3
+c1cc(ccc1Oc2c(OC)c3c(ccc(Br)c3)nc2O)C#N	11043
+c1cc(ccc1CC(OCC)C(=O)NOC)OCC(O)c2cccc(OC)c2	74
+c1ccccc1C(C(NC(c2ccc(cc2)OCC(C)CCC)CN=[N+]=[N-])=O)C	9
+c1cc(ccc1OCC(CCCCC)c2ccc3c(OCCC3(C)C)c2)C(=O)O	1
+c1ccccc1CNC(COc2ccc(cc2)-c3c(c(CN4C(=O)CCC4=O)nc5c3c6CCS(=O)Cc6s5)Cl)=O	9
+c1cc(ccc1OCC(O)=O)OCCOCCOCCOCCCCCCCCCCCS	1113
+c1cc(ccc1OCC(O)=O)-c2c(C)nc(c(C#N)c2)O	3
+c1cc(ccc1OCC(O)=O)NC(OCc2ccccc2)=O	3
+c1cc(ccc1-c2ccc(cc2)OCC=O)OC(C(=C)C)=O	598
+c1cc(ccc1CC(O)=O)OCC(c2cccnc2C)=O	4
+c1cc(ccc1Cc2c(c3c(OC(C3)C)c(Br)c2)Cl)OCC	394
+c1cc(ccc1OCC)C(C2CCN(CC2)CC(=O)NCc3nc(c4COCCc4n3)O)=O	9
+c1cc(ccc1)CN2C(CN(c3ccc(cc3)OCC)CC2)C(=O)N(c4ccc(cc4)[N+]([O-])=O)CCOC	1834
+c1cc(ccc1Nc2c(cnc(n2)Nc3cn(nc3)CCn4nccc4)[N+]([O-])=O)OCC	486
+c1cc(ccc1OCC2(CCc3c(C)c(OC(C)=O)c(c(C)c3O2)C)C)N	0
+c1cc(ccc1Cl)OCC(c2ccc(s2)Br)(Cn3cncn3)O	1377
+c1cc(ccc1OCC2CC2)-c3cc(NC(Cc4ccccc4)C(=O)O)ncn3	4
+c1cc(ccc1OCC(O)CO)C#N	265
+c1cc(ccc1OCC=2OC=C(C(C=2)=O)O)CC(C)=O	2306
+c1cc(ccc1CCC(=O)O)OCC=C	4
+c1cnn(n1)CCOCc2ccc(cc2)O	1691
+c1cc(ccc1OCCBr)CC2=C(C(Oc3c2ccc(O)c3)=O)c4c(Cl)cc(Cl)cc4	5
+c1cc(ccc1OCCBr)Oc2nc3ccccc3s2	1523
+CC(C)Sc1n(-c2ccc(cc2)OCCCO)nnn1	11044
+C(O)C(CO)CCOc1ccc(cc1)Br	1257
+c1cc(ccc1OCCC(CCC=C)CO)F	44
+c1cc(ccc1)CN2CCC(c3ccc(cc3)OCCC)=CC2	252
+c1cc(ccc1CC(O)=O)OCCC2C(C3CCN(CC3)c4onc(C(C)C)n4)C2	4
+c1cc(ccc1OCCCC(O)=O)C=O	3
+c1cc(ccc1OCCCCC(=O)O)-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2	3
+c1cc(ccc1OCCCCCCCC)-c2ncc(cn2)C(OCC)=O	511
+c1cc(ccc1OCCCCCCCC)-c2ncc(cn2)C(O)=O	6
+C1CC(CCC1c2ccc(cc2)OCCCCCCCCCCCBr)OC(=O)c3ccc(cc3)OCCCCCCCC	279
+c1cc(ccc1OCCCCCCCC)-c2ccc(c(n2)O)CCCCCCCC	11045
+c1cc(ccc1N)OCCCCCCCCBr	0
+c1cc(ccc1C(=O)O)OCCCCCCCCCCCCCC	1
+c1cc(ccc1OCCCCCCOC)N2CCNCC2	526
+c1cc(ccc1CN)OCCCCN(CC)CC	107
+c1cc(ccc1CN)OCCCCN2CCOCC2	107
+c1cc(ccc1OCCCCN)C=Cc2nc3c(C(N(C(N3CC)=O)CC)=O)n2C	18
+c1cc(ccc1OCCCCl)-c2nc(CC(=O)O)co2	4
+c1cc(ccc1OCCCCl)-c2occ(n2)C(O)=O	6
+c1cc(ccc1OCCCCl)-c2nc3c(s2)CCC3C(=O)O	3
+c1cc(ccc1C(=O)O)OCCCN(C)C	1
+c1cc(ccc1OCCCN(C)Cc2nc3ccccc3nc2)N	0
+c1cc(ccc1OCCCOc2ccc(cc2)CC(C(O)=O)OC)OCC(F)(F)C(F)F	3
+c1cc(ccc1OCCCc2[nH]nnn2)CCCCN	102
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN(c3ncccn3)C	534
+c1cc(ccc1OCCN2C(Sc3c2ccc(C(c4ccccc4)=NO)c3)=O)OC(C)(C)C(=O)O	3
+c1cc(ccc1OCCN2CCCC2C)-c3nc(CC(=O)O)co3	4
+c1cc(ccc1OCCN)CC(C)(CCCc2ccccc2)C(=O)OCC	18
+c1cc(ccc1CCC(=O)O)OCCN=[N+]=[N-]	4
+c1cc(ccc1OCCN)[N+]([O-])=O	18
+c1cc(ccc1C(=O)O)OCCOC	1
+c1cc(ccc1OCCOC)C(CC)N	840
+c1cc(ccc1OCCOCCCC)-c2cc3CCCN(C)c3c(C=C(C)C(=O)O)c2	108
+c1cc(ccc1OCCOCCCC)-c2cc3c(cc2)N(CCCC(C(O)=O)=C3)CC(C)=C	127
+c1cc(ccc1OCCOCCCC)-c2cc3c(cc2)N(CCC(C(O)=O)=C3)CC=CC	127
+c1cc(ccc1O)OCCOCCOCCOCCCCCCCCCC=C	173
+O=C(OC)C(C(=O)OC)Cc1ccc(cc1)OCCOc2cc3CCCCc3cc2	11046
+c1cc(ccc1OCCc2ncc(C(C)OCOC)cc2)CC3SC(=O)NC3=O	534
+c1cc(ccc1OC(C)(C)C(=O)O)OCCc2nc(-c3ccc(cc3)-c4cccnc4)oc2C	3
+c1cc(ccc1OCCc2ccc(CO)cn2)[N+]([O-])=O	1262
+c1cc(ccc1N)OCCn2cncc2	0
+c1cc(ccc1OCOC)C(N)CCC	840
+c1cc(ccc1O)C=Cc2nc3c(C(N(C(N3CC)=O)CC)=O)n2C	241
+c1cc(ccc1OCc2c(C(C)C)onc2-c3c(cccc3Cl)Cl)-c4ccc5c(c4)cc(C(O)=O)c(C)n5	6
+c1cc(ccc1OCc2c(C(C)C)onc2COc3c(C)cccc3C)-c4ccc5cc(C(=O)O)ncc5c4	1
+c1cc(ccc1OCc2c(C3CCCC3)onc2C4CCCC4)-c5cc6c(nc(C(=O)O)cc6)cc5	1
+c1cc(ccc1OCc2c(CCc3c(cccc3Cl)Cl)noc2C(C)C)-c4ccc5c(c4)c(C(=O)O)ccc5	1
+c1cc(ccc1OCc2c(CCc3c(cccc3Cl)Cl)noc2C(C)C)-c4ccc5c(c4)cc(C(O)=O)cc5	1
+c1cc(ccc1OCc2c(F)cccc2)CSCCC(O)=O	3
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CO	41
+c1cc(ccc1OCc2c(onc2Cc3c(Cl)cccc3Cl)C(C)C)-c4cc5c(c(ccc5)C(=O)O)cc4	6
+c1cc(ccc1Cl)OCc2ccc(cc2)CNC3=C(Nc4ccncc4)C(=O)C3=O	993
+c1cc(ccc1OCc2ccc(cc2)CN)Cl	18
+c1cc(ccc1Cn2c3c(cccc3)c(CC(=O)O)c2)OCc4ccc5c(n4)cccc5	4
+c1cc(ccc1CC(=O)O)OCc2ccc3ccccc3n2	3
+c1cc(ccc1OCc2cccc(F)c2)N3CC(C#N)CC3=O	143
+c1cc(ccc1O)-c2c3CCCCc3nc4c2cccc4	16
+c1cc(ccc1-c2nn(cc2-c3ccncc3)C)O	16
+c1cc(ccc1OCc2ccccc2)-n3c(-c4ccccc4Cl)nc(C(O)=O)c3C	6
+c1cc(ccc1OCc2ccccc2)C(c3ccc(cc3O)OC)=O	241
+c1cc(ccc1O)C=2C(=O)C(C)(C)OC=2c3ccc(cc3)OC	16
+c1cc(ccc1CC(C(=O)OCC)(C)Oc2cc3c(cc2)nccc3)O	16
+c1cc(ccc1O)CC(OCC)C(OCC)=O	16
+c1cc(ccc1CC(OCCCCCC)C(=O)OC)O	16
+c1cc(ccc1N)N2C(c3ccc(cc3CC2)OC)Cc4ccc(cc4)OCc5ccccc5	0
+c1cc(ccc1CCCCn2c(ncc2)CC(O)CO)O	16
+c1cc(ccc1Cn2c3c(cc2CNC)cccc3)O	16
+c1ccccc1-c2cn(Cc3ccc(cc3)OCc4ccccc4)cc2C=O	200
+c1cc(ccc1O)OC2CCNC2=O	16
+O=S(=O)(c1ccc(cc1)O)NCC(N2CCCCC2)C(=O)OC	16
+c1cc(ccc1OCc2ccccn2)C(=O)O	6
+Cc1cccc(C)c1-c2nn3cc(COc4ccc(cc4)C(C#CC)CC(=O)O)ccc3n2	3
+c1cc(ccc1OCc2nc(sc2)N)CCCCn3ccnn3	1176
+c1cc(ccc1OCc2cscc2)CC[N+](=O)[O-]	364
+c1cc(ccc1OCc2nc3c(cccc3C)n2CCC(C)C(=O)O)Cl	3
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CNO	1059
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CC(OCCCCCC)C(O)=O	4
+c1cc(ccc1Oc2c(-c3ccccc3)c(C)cc4cc(ccc24)OC)OCCCC(O)=O	3
+c1cc2c(oc3c2cc(C#N)cc3)c(c1OC)C(C)CC	5082
+c1cc(ccc1N)Oc2c(Cl)ccc(c2)F	0
+c1cc(ccc1C#N)Oc2c(O)nc3ccc(Br)cc3c2O	5
+c1cc(ccc1OC)Oc2c(N)cc(F)c(Br)c2	0
+c1cc(ccc1C(=O)NCCOC)Oc2ccc(Cl)cc2N	0
+c1cc(ccc1O)Oc2c([N+](=O)[O-])cccc2	173
+c1cc(ccc1F)Oc2cccc(C(OC)=O)c2N	0
+c1cc(ccc1CN)Oc2c(cc(Br)cc2)Cl	817
+c1cc(ccc1F)Oc2c(C(=O)O)cc(cn2)F	1
+c1cc(ccc1-c2noc(c2)C#N)Oc3c(ccc(F)c3)Br	11047
+c1cc(ccc1Oc2cc(ccc2N)N)C=C	0
+c1cc(ccc1Oc2ccnc3c2ncc(c3)OC)Nc4nnc(c5c4cccc5)-c6sc(c(C)c6)C	1443
+c1cc(ccc1Oc2c3cc(c(OCCOC)cc3ncc2)C#N)N	0
+c1cc(ccc1NC(NC(=O)Cc2ccccc2)=S)Oc3ncnc4nc[nH]c34	3704
+c1cc(ccc1Oc2ccnc3c2sc(c3)C(=O)O)NC(Nc4cc(ccc4F)C)=O	1
+O=S(=O)(NC)Cc1ccc(cc1)Oc2nc(nc(c2)CN)C	421
+c1cc(ccc1Oc2cc(OC3CCN(C)C3=O)cc(C(O)=O)c2)-c4oc(C)nn4	1
+c1cc(ccc1OCC)Oc2cc(ccc2)C(O)=O	6
+c1cc(ccc1N)Oc2cc(Cl)ncn2	0
+c1cc(ccc1F)Oc2cc(cnc2N)Sc3ncccn3	1779
+c1cc(ccc1Oc2cc(ncc2)-c3cc(C(NCCC(O)=O)=O)sc3)NC(Nc4cc(ccc4F)C)=O	4
+c1cc(ccc1Oc2c(cc3C(C(=O)O)(C)CCOc3c2)C#N)C(=O)NCCc4ccc(cc4)Cl	4
+c1ccccc1CCNCc2ccc(cc2)Oc3ccc(C(=O)N4CCCCC4)cn3	42
+c1cc(ccc1Oc2ncc(C(=O)O)cc2)C=O	6
+c1cc(ccc1Oc2cc(C(C)C)c(O)cc2)OCC	16
+C1CC(CCO1)c2ccc(cc2)Oc3c4CCC(c4c(cc3)F)Oc5ccc6c(c5)OCC6CC(OC)=O	191
+c1cc(ccc1Oc2ccc(c3cc(C(=O)OCC)n(C)c23)Cl)N	0
+c1cc(ccc1Oc2ccc(cc2)-c3nc(cc(n3)N(S(=O)(=O)C)CC(CO)O)C(N)=O)F	265
+c1cc(ccc1Oc2ccc(cc2)C)O	1437
+c1cc(ccc1C)Oc2ccc(c(CC=C)c2)O	423
+c1cc(ccc1CCNc2ncc(c(O)n2)Cc3cnc(nc3)OC)Oc4ccc(cc4)Cl	785
+c1cc(ccc1Oc2ccc(cc2)F)S(=O)(=O)NCCc3ccccc3O	5
+c1cc(ccc1F)Oc2cc3cnc(C(=O)OCCCC)c(c3cc2)O	11048
+c1ccccc1Oc2ccc(cc2)CCCC	165
+c1cc(ccc1)Oc2ccc(cc2)-c3c(C#N)c(N)n(C4CC5CC4CN5C(=O)OCc6ccccc6)n3	2356
+C1CC(CCN1)c2ccc(cc2)Oc3ccccc3	191
+c1cc(ccc1Oc2ccccc2)CCN(C3CCN(CC3)Cc4ccc(cc4)C(O)=O)C	1
+c1cc(ccc1Oc2ccccc2)NC(=O)CN3CCN(CC3)C(=O)c4ccc(cc4)C(=O)O	1
+c1cc(ccc1Oc2ccccc2)NC(=O)Nc3cc4c(cn(n4)CCC=O)cc3	571
+c1cc(ccc1)Oc2ccc(cc2)NC(Nc3cc4nc(Cc5ccccc5)n(c4cc3)CCN(C)C)=O	11049
+c1cc(ccc1Oc2c(N)cccc2)-c3cn(c4ncnc(N)c34)C(C)C	0
+c1cc(ccc1Oc2ccccn2)CO	49
+c1cc(ccc1Oc2ccccn2)C(=O)O	1
+c1cc(ccc1Oc2cc(ncc2)-c3csc(c3)C(=O)O)NC(Nc4cc(ccc4F)C)=O	1
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)Oc3ccnc(NC(CCC)=O)c3	90
+c1cc(ccc1O)Oc2nc(ncc2)NC	16
+c1cc(ccc1Oc2ccnc(NCCCO)n2)N	0
+c1cc(ccc1Oc2c3cc[nH]c3ncc2)O	16
+c1cc(ccc1Oc2ccnc3c2sc(C(=O)NCCCC(=O)O)c3)NC(Nc4cc(ccc4F)C)=O	3
+c1cc(ccc1N)Oc2ccnc3cc(OC)cc(c23)OC	0
+c1cc(ccc1Oc2ncc(cc2)C(N)=O)CN3CC(c4ccccc4)CCCC3	48
+c1cc(ccc1Oc2ncc3c(c2)ccc(Cl)c3)O	5
+c1cc(ccc1Oc2ncccc2)-c3nc(on3)-c4ccc(cc4)O	16
+c1cc(ccc1Nc2c3ccccc3c(nn2)-c4cc(cs4)C)Oc5c(cccn5)-c6nc(ncc6)N	1443
+c1cc(ccc1N)Oc2ncnc(N)c2	0
+c1cc(ccc1N)Oc2ncnc(Nc3cccc(OC)c3)c2	0
+c1cc(ccc1N)Oc2ncnc(SC)c2	0
+c1cc(ccc1Oc2ncnc3[nH]c(cc23)C(OCC)=O)N	0
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(C)C)c3[nH]c(C(=S)N)cc3c2	742
+c1cc2c(CCC(=S)N2)cc1Br	199
+c1ccccc1CC(NC(=O)c2nc3c(nc2)cccc3)C(OC(C)=O)CC(CCC(C)(C)F)C(N)=S	199
+c1ccccc1COC(NC(C)C(N)=S)=O	199
+c1ccccc1COc2cc(c(Br)cc2OC)NC(C)=S	199
+c1ccccc1COc2c(OCc3ccccc3)c(C(N)=S)ccc2	581
+c1nc(c2CN(C)C(=S)c3cc(ccc3-n12)F)C(=O)OCC	581
+n1ccnn1-c2ccccc2C(=O)N3C(CCC(C3)C(N)=S)C	199
+s1c(C)ccc1C(N)=S	11050
+c1cc(ccc1S(=O)(=O)C(c2cc(ccc2F)F)CCCCO)Cl	1000
+c1cc(ccc1C(O)CCl)-c2ccc(cc2)S(=O)(=O)C(F)F	74
+c1(F)cccc(F)c1C([N+]#[C-])S(=O)(=O)c2ccc(cc2)C	11051
+c1cc(ccc1S(=O)(=O)C)-c2cc(sc2-c3ccc(cc3)F)N	2415
+c1cc(ccc1S(=O)(=O)C)C(C(=O)Nc2cnc(cn2)CO)Cc3cc(F)ccc3	59
+c1cc(ccc1C(Cc2cc(F)ccc2)C(O)=O)S(=O)(=O)C	4
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3[nH]c(C(O)=O)cc3c2	6
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(cc(C4=NCC(S4)CC(=O)O)[nH]3)c2	3
+c1cc(ccc1S(=O)(=O)C)Oc2cc(c3c(c2)cc(C(OCC)=O)[nH]3)O	321
+c1cc(ccc1S(=O)(=O)C)Oc2cc3c(c(OC(C)C)c2)[nH]c(c3)C4=NCC(CCO)S4	44
+c1cc(ccc1Oc2ccc(cc2)S(=O)(=O)C)N	0
+c1cc(ccc1S(=O)(=O)CCCOc2c(c(c(cc2)C(C)=O)O)CCC)C(CCCCC(O)=O)=O	4
+c1ccc(cc1OC)CC2C(C#N)CCCC2	881
+C1CC(CCC12CCC(CC2)C#N)O	881
+c1cc(ccc1)COc2nn(cc2CC#[N+]CS(=O)(=O)c3ccc(cc3)C)C	5067
+c1cc(ccc1S(=O)(=O)Cc2c(C)oc(-c3ccc(cc3)C(=O)NCc4cnccn4)n2)C	14
+c1cc(ccc1S(=O)(=O)Cc2c(C)oc(-c3ccc(cc3)C(O)=O)n2)C	1
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)c3ccncc3)Cl)C4(CCOCC4)C	69
+O=S(=O)(Oc1cc2c(cc1)nc(Nc3cc(c(cc3)OC)OC)n2Cc4ccccc4)c5ccc(cc5)F	681
+c1cc(ccc1S(=O)(=O)Nc2nncs2)NC(=O)C	1140
+O=S(=O)(Nc1ccccc1C(c2ccccc2)=O)c3ccc(cc3)NC(c4ccccn4)=O	69
+c1cc(ccc1Cl)S(=O)(=O)N(C(C(O)=O)=C)C	127
+c1cc(ccc1S(=O)(=O)N(Cc2ccc(cc2)C(=O)O)C3CCCC(C)C3)Cl	1
+c1cc(ccc1S(=O)(=O)N(C2CCc3c(n4ccccc4c3C2)CC(=O)O)C)F	3
+O=S(=O)(N(CC(C)C)CC(=O)OCC)c1ccc(cc1)O	5
+c1cc(ccc1)C(c2ccccc2)C(Nc3ccc(cc3)S(=O)(=O)N(CC)CC)=O	33
+c12c(C(=O)N(C1=O)CCCN(S(=O)(=O)c3ccc(cc3)C)CC(F)(F)CCO)cccc2	118
+c1cc(ccc1S(=O)(=O)N)-c2cc(ccc2OC)-c3c(c(C)c(C(O)=O)s3)C	1
+C1COCCC1n2nc(c3c(nccc23)O)-c4ccc(cc4)S(=O)(=O)N	104
+c1cc(ccc1S(=O)(=O)N)C(=O)C=Cc2cc(-c3[nH]c4ccccc4c3)c(OC)cc2OC	2292
+c1cc(ccc1-c2c(ncnc2Cl)NS(=O)(=O)c3ccc(cc3)OC)OC	570
+c1cc(ccc1S(=O)(=O)N2CCC(=O)C2)C#N	86
+c1cc(ccc1S(=O)(=O)N2CCC(CC2)(F)C(=O)O)C	3
+c1cc(ccc1CN)S(=O)(=O)N2CCCCC2	107
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)OC)Cc3nc(O)c4c(cccc4)n3	1677
+C1CN(CCO1)S(=O)(=O)c2ccc(cc2)C=Cc3ccc(OCOC)c(O)c3	241
+c1cc(ccc1S(=O)(=O)N2c3c(N)cccc3CC2)OC	562
+c1ccccc1C(Nc2cccc3CCN(S(=O)(=O)c4ccc(cc4)OC)c23)=O	50
+c1cc(ccc1N)S(=O)(=O)N2c3ccccc3SC(C=C2)CCO	106
+c1cc(ccc1-c2ccc(cc2)COc3c(cc4ccccc4n3)C)S(=O)(=O)NC(C(C)C)C(O)=O	4
+c1cc(ccc1CC(OCC)=O)NC(C(Cn2cncc2)NS(=O)(=O)c3ccc(cc3)F)=O	11052
+O=S(=O)(c1ccc(cc1)Cl)NC2CCCCCC2CO	88
+c1cc(ccc1)CCN2CCC(CC(C)C)(C(CNS(=O)(=O)c3ccc(cc3)OC)C(=O)NO)C2=O	1697
+c1cc(ccc1S(=O)(=O)NCC2=CC(=O)C(=CO2)O)C	2306
+c1cc(ccc1S(=O)(=O)NCC2Cc3c(cc(cc3)CCC(=O)O)C2)Cl	3
+c1cc(ccc1S(=O)(=O)NCC2Cc3c(cc(cc3)CCC(=O)OCC)C2)Cl	159
+c1cc(ccc1S(=O)(=O)NCCCCCCC(C)(C)C(=O)O)Cl	3
+c1cc(ccc1S(=O)(=O)NCCc2cc(CCC(=O)O)cc(c2)Cc3ccc(cc3)F)Cl	3
+c1cc(ccc1S(=O)(=O)NCCc2n(C)c(CC(O)=O)cc2)F	3
+C1COCCN1CCCc2ccc(cc2)S(=O)(=O)NCc3ccc(cc3)C(=O)Nc4cccnc4	213
+c1cc(ccc1S(=O)(=O)Nc2cc(F)c(cc2F)C(O)=O)-c3cnc(nc3)C4CCOCC4	1
+c1cc(ccc1S(=O)(=O)Nc2c(F)cc(cc2F)F)C(O)=O	1
+O=S(=O)(c1ccc(cc1)N)Nc2cc(Br)nc(c2)Br	106
+O=S(=O)(c1ccc(cc1)N2CCOCC2)Nc3ccsc3C(O)=O	1
+c1cc(ccc1C(=O)C=Cc2cc(-c3[nH]c4ccccc4c3)c(OC)cc2OC)S(=O)(=O)Nc5ncccc5	2292
+c1cc(ccc1N)S(=O)(=O)Nc2nncs2	106
+c1cc(ccc1S(=O)(=O)OC(C)COc2c(N)ccc(c2F)F)C	0
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)OCC(=O)O	3
+C1(c2c(C(=O)N1CC3COCC3)cccc2)=O	2140
+CC1(C)OC(Cn2ncc([N+](=O)[O-])c2)CO1	4811
+c1cc(ccc1S(=O)(=O)OCC2Oc3cc(ccc3OC2)O)C	5
+c1cccc2[nH]cc(C=3CCN(CC=3)CC4COc5c(O4)c6c(nc(cc6)C)cc5)c12	11053
+c1cc(ccc1[N+](=O)[O-])OCCOCCOCCOC	450
+c1ccccc1COCCOCCOCCOCCOCCOCCOCCOCCOCCOC	1117
+c1cc(ccc1O)S(=O)(=O)ON=C(C#N)c2cccs2	173
+O=S(=O)(c1ccc(cc1)CN)c2ccccc2	107
+O=S(=O)(c1ccc(cc1)Br)n2c3ccccc3cc2C=O	178
+c1cc(ccc1C)S(=O)(=O)n2c(cc3c(ccnc23)CNCCc4cncn4C)-c5c6c(cc(OC)c(n6)OC)n(C)c5	42
+C1CN(CCO1)CCn2cc(c3nc(c(OC)cc23)OC)-c4[nH]c5ncccc5c4	392
+c1cc(ccc1C)S(=O)(=O)n2c3c(c(C(C)C)c2)cc(Br)cn3	11054
+C1C(C)OC(CN1Cc2nnc(-c3cc(cc4c3cnn4S(=O)(=O)c5ccc(cc5)C)Br)o2)C	1705
+c1cc(ccc1S(=O)(=O)n2c3c(c(c2)C4C(CC=O)C4)cc(C#N)cc3)C	24
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(C#N)ccc23)C4CC4C=C)C	2142
+C1CCCC1NC(=O)C(CC#N)N2Cc3c4c(ncc3Cl)n(cc4C2=O)S(=O)(=O)c5ccc(cc5)C	11055
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(O)c(OC)cc45)C)C	16
+C1CN(CCO1)CCOc2cc3n(C)cc(-c4cc5cccnc5[nH]4)c3cc2OC	392
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(cnc23)-c4cccnc4)C(=O)c5cccc(N)c5)C	0
+c1cc(ccc1S(=O)(=O)n2cc(c3c2cccc3-c4nc5c(CNCC5)c(OC)n4)C)C	25
+c1cc(ccc1S(=O)(=O)n2c3c(cc2)C(c4c(c(N)c(N)cc4)Oc5ccc(cc5F)F)=CN(C3=O)C)C	0
+c1c(ccc(Oc2c(ccc3[nH]nnc23)C=4c5c([nH]cc5)C(N(C)C=4)=O)c1F)F	4061
+c1cc(ccc1Nc2nc(Nc3cc4c(cc3)c[nH]n4)c5c([nH]cc5)n2)N(C(=O)C)C	392
+c1cc(ccc1C)S(=O)(=O)n2cnc(C(c3cc4c(cc(C(=O)NC)cc4)cc3)=O)c2	5061
+c1cc(ccc1C2N(CCC2)CCc3c(C)n[nH]c3C)C=CC(=O)OC	11056
+c1cc(ccc1S(=O)(=O)n2ncc3c(cc(cc23)Br)C(=O)O)C	1
+C1COCCN1Cc2oc(-c3cc(-c4c5c(ccc4)[nH]cc5)cc6c3c[nH]n6)nn2	3119
+c1cc(ccc1S(=O)(=NCCO)C)C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O	44
+c1cc(ccn1)-c2c(-c3ccc(cc3)S)nc4CCCn24	5087
+c12c(cccc1)C(=O)N(C2=O)CCCCCC(c3cc(c(OC)cc3)OC)(Sc4ccc(cc4)C)C#N	1656
+OB(O)c1ccc(cc1)SC	493
+c1cc(ccc1Cc2ccccc2OCc3ccccc3)SC	452
+c1cc(ccc1CC(=O)c2ccc(cc2)C)SC	11057
+c1cc(ccc1Cc2c(nc(NC(C)=O)s2)C=O)SC	11058
+c1cc(ccc1Oc2ccc(cc2)[N+]([O-])=O)SC	415
+c1c(cc2c(C)csc2c1)Br	3148
+C1(=O)c2ccc(C(=O)O)cc2Sc3ccc(cc13)C	358
+c1c(C)ccc2Sc3cccc(c3C(=O)c12)C(=O)O	358
+c1cc(ccc1Sc2ncc(cc2)N)CCC(=O)OC	13
+c1cc(ccc1Cl)Sc2ccc(cc2)CCC(=O)OC	159
+c1cc(ccc1Sc2c(cc(C)cc2)N)O	0
+c1cc(ccc1Sc2ccccc2)CCCC(O)=O	165
+c1cc(ccc1)Sc2cc3c(cc2)CCCC3=O	214
+c1cc(ccc1C(=O)c2nc(Cl)c3c(scc3)n2)F	2329
+c1cc(ccc1OC)C(c2cc(ccc2OCc3ccccc3)OC)O	704
+c1cc(ccc1Oc2ccccc2)-c3c(C#N)c(Cl)cc(-c4ccc(cc4)N)n3	0
+c1cc(ccc1N)-c2cc(n3nccc3n2)NCc4c(cc(cc4)Cl)Cl	0
+c1cc(ccc1-c2nc3ccc(cn3c2)I)N	0
+c1cc(ccc1-c2nc(-c3c(C)sc(c3)C(=S)OC)sc2)N	0
+C12COCC(CC1)N2c3nc(-c4ccc(cc4)N)nc(NC(C)C)c3	0
+c1cc(ccc1N)-c2nc(c(cn2)OC)N3CCOCC3	0
+c1cc(ccc1N)-c2ncon2	0
+c1cc(ccc1-c2n(nnn2)C)N	0
+c1cc(ccc1N)-c2occ(-c3cc(Cl)ccc3)n2	0
+c1cc(ccc1N)C(N(C)C)=O	0
+c1cc(ccc1N)C(NCCCn2ccnc2)=O	0
+c1cc(ccc1C(C(OCC)=O)=O)N	0
+c1cc(ccc1C(C)(C)CN)[N+](=O)[O-]	51
+c1cc(ccc1N)C(C)(C)C#N	0
+c1cc(ccc1[N+]([O-])=O)C2OC2	3146
+c1cc(ccc1[N+](=O)[O-])-c2cn3c(ccc(c3)I)n2	440
+c1ccccc1-c2nc(-c3ccc(cc3)[N+](=O)[O-])no2	2304
+c1ccccc1COC(c2ccc(cc2)[N+](=O)[O-])=O	470
+c1cc(ccc1Cc2cc3CC(Nc3cc2)=O)[N+]([O-])=O	394
+c1cc(ccc1N)C2(C(=O)c3c(cc(Cl)cc3NC2=O)Cl)C	0
+C1CS(=O)(=O)CCC1(c2ccc(cc2)N)C#N	0
+c1cc(ccc1N)C23CN(CC2C3)C(C)=O	0
+c1cc(ccc1C2=CC(c3c(O2)ccc(c3)OC)=O)N	0
+c1cc(ccc1C2=CC(c3c(ccc(Br)c3)O2)=O)N	0
+c1cc(ccc1C=2c3cc4c(OCO4)cc3CC(=O)NN=2)N	0
+c1cc(ccc1C=Cc2cnc(OCCOCCOCCO)cc2)N	0
+c1cc(ccc1CN2c3c(NC4C(CCC4)C2=O)cccc3)N	0
+c1cc(ccc1N)N2C3CCN(C)C3CC2	0
+c1cc(ccc1NC(N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2)=O)N	0
+c1cc(ccc1NS(=O)(=O)C)N	0
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(=O)Oc2ccc(cc2)[N+](=O)[O-]	385
+c1cc(ccc1[N+](=O)[O-])OC(=O)C(C)=Cc2c(cccc2)N	11059
+c1cc(ccc1)COc2cc3nccc(Oc4ccc(cc4)[N+](=O)[O-])c3cc2	242
+c1ccccc1COc2c(cc3c(nccc3Oc4ccc(cc4)[N+]([O-])=O)c2)C#N	242
+c1cc(ccc1OC(=O)N(C)c2ccccc2)[N+]([O-])=O	2047
+c1cc(ccc1Oc2cc(Cl)ncn2)[N+]([O-])=O	185
+c1cc(ccc1OCCOCCOCCOC)N	0
+c1cc(ccc1[N+](=O)[O-])OCCOCCOCCOCCN	18
+c1cc(ccc1N)Oc2c3c(cc(OCC(O)C)cc3)ncc2	0
+c1cc(ccc1Oc2cc(OC)c(C)cc2)N	0
+c1cc(ccc1N)Oc2ccc(C)c(NC(c3cccc(C(C)(C)C#N)c3)=O)c2	0
+c1cc(ccc1N)Oc2ccc3COCc3c2	0
+CC(C)C(NC(c1ccc(-c2ccc(cc2)N)cc1C)=O)C(OC)=O	0
+c1cc(ccc1[N+]([O-])=O)-c2ccc(c(c2)C)C(O)=O	1
+c1cnccc1-c2ccc(cc2)N	0
+c1cc(ccc1Cc2ccc(cc2)[N+]([O-])=O)F	394
+c1cc(ccc1C(C(=O)O)C)N	0
+c1cc(ccc1[N+]([O-])=O)C(CO)CC	21
+c1cc(ccc1C(c2ccc(cc2)Cl)c3sccn3)N	0
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)N	0
+C1C(=O)NC(CC1c2ccc(cc2)N)=O	0
+c1cc(ccc1N)C2C(C2)C(=O)O	0
+C1CC1(c2cccc(c2)C(C)C)N3C(=O)OC(C3)C(NC(=O)C)Cc4ccc(cc4)N	0
+c1cc(ccc1CCN2C(=O)OCC2)N	0
+c1cc(ccc1[N+]([O-])=O)CCN2C(=O)OCC2	11060
+c1cc(ccc1N)CCS(=O)(=O)N(C)C	0
+c1cc(ccc1N)CN(C2CCN(CC2)CCC(C)C)C(=O)c3ccc(cc3)CCCCC	0
+c1cc(ccc1N)CN2C(CCc3c(ccc(OC)c23)CC4SC(NC4=O)=O)=O	0
+c1cc(ccc1[N+]([O-])=O)CN2C(CCc3c(ccc(OC)c23)CC4SC(NC4=O)=O)=O	534
+N(C=O)c1scc(C(=NOCCCC)C(=O)NC2C(=O)N3C2SCC(Cl)=C3C(=O)O)n1	1783
+c1cc(ccc1[N+]([O-])=O)COC(=O)C=2N3C(SCC=2O)C(C3=O)N	5093
+O=C(NC1C(N2C1SCC=C2C(=O)O)=O)C(=NO)c3csc(N)n3	1783
+C1CC(CCC1)ON=C(c2nc(NC=O)sc2)C(=O)NC3C(=O)N4C3SCC=C4C(O)=O	1783
+N(C=O)c1scc(C(=NOCC(OCC)=O)C(=O)NC2C(N3C2SCC=C3C(=O)O)=O)n1	1783
+c1cc(ccc1[N+]([O-])=O)COC(C=2N3C(SCC=2)C(N)C3=O)=O	5093
+CC(C)CON=C(C(NC1C(=O)N2C1SCC=C2C(O)=O)=O)c3csc(NC=O)n3	1783
+c1cc(ccc1Cc2c(c(ccc2)Cl)Cl)N	0
+c1cc(ccc1N)Cc2cn(C)c3ccc(C(=O)OC)cc23	0
+c1cc(ccc1N)Cc2nc(C)c(CC(OC)=O)c(n2)N3CCCC3	0
+c1cc(ccc1[N+]([O-])=O)Cn2c3c(cc(Br)cc3)cc2C(=O)OCc4ccccc4	470
+c1cc(ccc1[N+]([O-])=O)Cn2c(C(=O)O)cc3cc(ccc23)Br	6
+c1cc(ccc1N)Cn2c3c(c(n2)CC(=O)OC)cccn3	0
+c1cc(ccc1[N+]([O-])=O)-c2ccncc2	2036
+c1cc(ccc1N(C(=O)CC)C)N	0
+c1cc(ccc1N)N(C)c2nc(C)nc3c2cccc3	0
+c1cc(ccc1N2CCN3C(CCC(COc4ccc(cc4)F)C3)C2)N	0
+c1cc(ccc1N2CCC(N)C2)[N+]([O-])=O	524
+c1cc(ccc1N)Nc2nc(c(cn2)Br)Nc3ccccc3	0
+c1cc(ccc1OC(C)C(=O)O)[N+]([O-])=O	4
+c1cc(ccc1N)OC(C)CCN2CCOCC2	0
+c1cc(ccc1OC(F)(F)C)N	0
+c1cc(ccc1OCC2(Oc3cc(Cl)c(cc3C(C2)=O)OC(C)=O)C)N	0
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(O)=O	4
+c1cc(ccc1OCCCN(C)Cc2nc3ccccc3nc2)[N+]([O-])=O	183
+c1cc(ccc1OCCOCOCCOC)N	0
+c1cc(ccc1N)Oc2c(ccc(F)c2)F	0
+c1cc(ccc1N)Oc2c3ncn(C4OCCCC4)c3ncn2	0
+c1cc(ccc1Oc2cc(C(=O)O)ccc2)N	0
+c1cc(ccc1[N+]([O-])=O)Oc2cc(C(=O)O)ccc2	6
+c1cc(ccc1Oc2cc(ccc2)C(NC)=O)N	0
+c1cc(ccc1N)Oc2ccc(cc2)-c3occn3	0
+c1cc(ccc1N)Oc2cccc(S(=O)(=O)NC)c2	0
+c1cc(ccc1N)Oc2ccnc(C(=O)NCC3CC3)c2	0
+c1cc(ccc1Oc2ccnc(NC(CCC)=O)c2)N	0
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)Nc2c(cccc2)Cl	69
+c1ccccc1-c2cc(ncn2)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O	2165
+O=S(=O)(c1ccc(cc1)N)N2CCC(C)(C)CC2	0
+c1cc(ccc1S(=O)(=O)Nc2c(cccc2)Cl)N	0
+c1cc(ccc1SCCCCl)N	0
+c1cc(ccc1SCCc2ccccc2)N	0
+c1cc(ccc1-c2ccc3nnc(n3c2)Sc4ccc(cc4)N)F	0
+C[Si](C)(c1ccc(cc1)Cl)Cn2ccnc2	11061
+c1cc(ccn1)-c2c(-c3cc(O)c(Cl)cc3)[nH]c(C(C)(C)CNCc4ccccc4)n2	42
+C1CC(CCN1)c2c3c(OC(C3)COC)c(cc2C)N	1413
+c1cc(ccn1)-c2c([nH]c(C(C)(C)CN)n2)-c3cc(O)c(Cl)cc3	5
+c1cc(ccn1)-c2sc3C(NC(c4ccccc4)Nc3c2)=O	11062
+c1cc(ccn1)-c2sc(c(c2)NCCCC)C(=O)O	1
+c1cnccc1-c2ccc(c(c2)C=O)O	5
+c1cc(ccn1)-c2cc(c(N)nc2-c3cc(F)ccc3)N	13
+c1cc(ccn1)-c2cc(c(s2)C(O)=O)N	1
+c1cc(ccc1CN2C(=O)C(=CC=C2)O)-c3ccncc3	2285
+c1cc(ccn1)-c2c(nn(c2)C3CCN(CC3)C)-c4c(c(NS(=O)(=O)c5c(F)ccc(c5)F)ccc4)F	11063
+c1cnccc1-c2nc(Oc3c(C)cccc3)c(cn2)C(OCC)=O	185
+c1cc(ccn1)-c2c(-c3ccc(c(O)c3)N)c4nccc(n4n2)C5CC6CCC(C5)N6CC	5
+c1cc(ccn1)-c2sc(c(c2)NCC)C(=O)O	1
+c1cc(ccn1)C#Cc2ccc(cc2)O	5
+c1cnccc1-c2nc3cnc(nc3o2)Cl	11064
+c1cnccc1C(C)(c2sc(-c3cnc(F)cc3)nc2)O	5089
+c1cc(ccn1)C(C)C(Cn2ncnc2)(O)c3ccc(F)cc3F	1377
+c1cc(ccn1)C(O)Cn2c3c(CNCC3)c4cc(ccc24)C	1569
+c1cc(ccn1)-c2oc3c(n2)cc(cc3)OC	3137
+c1cnccc1C=2N=C(N3CC(OCc4ccccc4)CC3)N(C(=O)C=2)C	2803
+c1cnccc1-c2cc(nnc2-c3ccc4ccccc4c3)O	11065
+c1cc(ccn1)C=Cc2cc(ccc2)Nc3ncccc3N	13
+c1cc(ccn1)C=Cc2cc(ccc2)N	0
+c1cc(ccn1)C=Cc2cccc(N3c4ncccc4N=C(Cc5cnccc5)C3=O)c2	5048
+c1cnccc1CCc2ccc3c(c2)ccc(n3)NCc4c(OC)cccc4	1442
+c1cc(ccn1)CCc2c3cc(N)ccc3[nH]c2	0
+c1cc(ccn1)CN2C(COc3ccc(cc3)Cc4ccccc4)CCC2	171
+c1cc(ccc1)CN2CCC(CO)=CC2	11066
+c1cc(ccn1)N2CCC(CC2)C(Nc3ccc4[nH]nc(-c5[nH]c6ccccc6n5)c4c3)=O	804
+c1cc(ccn1)NC(c2cccc(N)c2)=O	0
+c1c(F)c(c(cc1OCC)F)Cn2c3c(c(-c4ncc(c(n4)Nc5ccncc5)O)n2)CCC3	3167
+c1cc(ccn1)OCCOc2c(cc(C(=O)N)c(N)c2)OC	0
+c1cc(ccn1)S(=O)(=O)c2c(OC)cc(N)cc2	0
+c1cc(ccn1)Sc2cnc(s2)N	1176
+c1cc(cn2C(c3c(N=c12)sc(CC)c3)=O)C#N	1014
+c1cccc2c1snc2NCCNC(c3ccc(cn3)C(=O)OC)=O	81
+c1ccccc1Cc2nnc(N3CCN(c4ncc(cc4)C#N)C(C)C3)c5ccccc25	43
+C1CC(CCN1Cc2ccccc2)Nc3ncc(C(=O)OC)cc3	70
+c1cc(nc(Cl)c1OCOC)C#N	331
+C(c1ccc(-c2cc(F)ncc2)nc1)NC(=O)c3ccc(N4C(=O)C=CC=C4)cn3	5092
+c1cc(CCN)ncc1Br	51
+c1cc2cnc(CCC(OCC)=O)n2cc1Br	5094
+c1cc(ncc1Br)NC(c2cccc(O)c2N)=O	0
+c1cc(ccc1)CN(CCCN)c2ccc(Br)cn2	5045
+c1c(C)c(c(cc1Oc2cnc(OCCOC)cc2)C)-c3nc(NC(c4ccncc4)=O)sc3	706
+c1cc(ccc1-c2ccccc2)COCc3cnc(Cl)cc3	149
+O=Cc1ccc(nc1)NCc2ccncc2Cl	200
+c1ncncc1Oc2cc(nc(c2)C(=O)Nc3ccc(F)cn3)C	4760
+C(c1ccc(nn1)Cl)CCCn2nncc2	587
+C1CN(CCC1Nc2nnc(cc2)Cl)Cc3ccccc3	232
+n1nc(ccc1-n2ccnc2)Cl	11067
+c1cc(nnc1C#CCCn2nncc2)Cl	4147
+c1cc-2c(cc1)C(c3ccccc-23)C(=O)NCC(=O)NC(C4=Nc5cccc(c5C(=O)O4)C)C(C)C	3273
+c1cc-2c(cc1)C(c3ccccc-23)C(=O)NCC(=O)O	4
+c1cc2C(C#N)CCCc2c(N)c1OC	0
+c12c3c(ccc1[nH]c4c2cccc4)C(CC3)=O	1223
+c1cc2CC(CCc2cc1C3CC4(COC(N4)=O)CC3)CO	21
+c1cc2CC(C(=O)O)CCc2cc1C3CC4(COC(N4)=O)CC3	4
+c1cc2CC(Cc2cc1OC)COC	21
+C1c2c(CC1CO)ccc(c2)OC	88
+c1cc2CCC(NC(OCC)=O)C(c2cc1O)Cc3cc(c(cc3)Cl)Cl	5
+c1c2c(cccc2)[nH]c1CNC	729
+O=S(=O)(n1c2c(cccc2)cc1C(=O)OC)c3ccccc3	367
+c1cc2[nH]c3c(ccnc3C)c2cc1-c4cc(ccc4)CN	107
+c12cc(ncc1ccc(c2)F)C(=O)OC	11068
+c1cc2c(CCC(NCCC)C2)c(N)c1OC	15
+c1cc(c2cccc(c2c1)F)O	5
+O=C(c1ccc2c(OCCO2)c1[N+](=O)[O-])O	6
+c1(c(c2c(cc1)nc(C)cc2)Br)O	5
+c1cc(ccc1)CN2N=C(Cl)c3ccccc3C2=O	11069
+c1cc2c(cc(Br)cn2)cc1CO	88
+C(c1cc(Cc2ccc3c(cc(cn3)C#N)c2)ncc1)(=O)O	1
+c1cccc2c1Oc3ccccc3C2(C)CN	273
+c1cc2c(N(CC3CCCCCN23)CCN)cc1	15
+c1cc2c(nc(c(c2cc1)O)C(=O)O)Cl	5095
+c1ccc2c(c(Cl)nc(C)c2N)c1	13
+[nH]1c(C=O)cc2c1cccc2	178
+c1cc2c3c(cccc3)n(c2cc1)CCCP(O)(OCC)=O	228
+C(c1cc2c(cc1)OCCO2)O	217
+c1(C=O)cc2c(ncnc2cc1)Cl	39
+c1cc2c(cc1I)ncc(n2)C(=O)O	6
+c1ccccc1COc2cc3c(cc2)ccc(C#N)c3	22
+c1cc2c(ccc(NC(C)=O)n2)cc1CCN	51
+c12ccc(c([N+]([O-])=O)c1ccc(c2)C=C)O	5
+c1cc2c(cccc2)nc1COc3cc(c(cc3)NCc4cc(ccc4)Br)N	0
+c1cc2c(csc2cc1F)N3CCCN(CCCCN)CC3	51
+Nc1cccc2ccc(Cl)nc12	13
+c1cc(ccc1)CCNCC(COc2cccc(-c3c4ccc(cc4on3)F)c2)O	122
+c12c(cc(C#N)cc1)c3c(c(c(cc3)O)C(C)CC)o2	5
+c1cc2c3ccccc3n(c2cc1)CCCP(O)(O)=O	228
+c1(C2C(c3c4ccccc4[nH]c3)C(=O)NC2)cn5c6c(CCC5)cccc16	1781
+c1cc2cc[nH]c2cc1C3C(C=O)C3	378
+c1c2c(c([N+](=O)[O-])c(OCOC)c1)nc(CO)cc2	453
+c1cc2cnc(CCCO)n2cc1Br	44
+c1(C(C(C)N)Oc2cc3c(cc2)n(-c4cccnc4)nc3)ccc(nc1)OC	669
+c1cc2n(C3CCCCO3)nc(C=O)c2cc1I	2231
+n1c(-c2cccc(c2)C)c(c3cccc(n13)Cl)C(C#C)=O	2344
+c1(C(C(C)N)Oc2cc3c(cc2)n(nc3)-c4cccc(c4)Br)ccc(nc1)OC	669
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nc(C)no4)c2-c5ncccc5)F	40
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nnc(o4)C)c2-c5ncccc5)F	40
+c1(C=O)ccc2nc(SC)sc2c1	39
+c1(C=O)cc2c(cc1)nc(o2)C	39
+c1c2cccnc2ccc1C(c3n(C)cnc3)(c4ccc5nc(nc(-c6cc(ccc6)Cl)c5c4)Cl)O	11070
+c1(C=O)cc2nc(C)sc2cc1	39
+c1cc(ccc1)S(=O)(=O)n2cccc2	917
+c1ccc(c(Cl)n1)-c2c(-c3cccnc3Cl)ncs2	2190
+C(c1cnn(c1)CCF)#Cc2cc(-c3cccnc3F)ccc2	1249
+Nc1cc(C(C)Nc2cccc(Br)n2)ccc1	0
+c1cc(ccc1)COC(NCC(=O)Nc2c(cccc2)C(=O)OC)=O	33
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(c(C#N)n(C)n3)C)c1N4N=NN(C4=O)C	331
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(C)c(C(O)=O)n(C)n3)c1N4N=NN(C4=O)C	6
+c1c2c(CCN2)c(C)cc1	931
+c1ccc(C=C(C(=O)O)C)c(N)c1	108
+n1cc2ccc(nc2c(Br)c1)C(NCc3occc3)=O	81
+c1c(c(ccc1)Cl)Nc2ncnc(Cl)c2N	73
+Clc1c2CCCCc3c(-c2ccc1)cccc3	165
+c1cc(ccc1)-c2c3c(N(C)C(=O)N(C)C3=O)cn2-c4c(cccc4)N	4866
+C1C(CC1C(Nc2ccccc2N)=O)OCc3ccccc3	33
+c1ccccc1S(=O)(=NC(c2cncc(C#Cc3cc(NC(c4sccc4)=O)ccc3)c2)=O)C	1240
+c1(C(OC)=O)c(c(Nc2ccc3OCOc3c2)ccc1)C(O)=O	1
+Oc1c(NC(c2cn3nc(sc3n2)CC)=O)cccc1	466
+C=1COc2cccc(C(=O)OC)c2C=1	1318
+Nc1ccccc1Sc2c(C#N)cccc2	0
+c1(C(=O)O)ccccc1Sc2ccccc2N	0
+c1ccc([N+]([O-])=O)c(Sc2c(C#N)cccc2)c1	274
+c1ccc(N)c2c1n(nc2C)Cc3cccc(C)n3	0
+c1c(N)cc(cc1)OCC(=O)O	0
+c1c(N)cc(cc1)OCC2CO2	0
+c1c(N)cc(cc1)OCOC	0
+c1(C(OC)=O)c(C(O)=O)c(Nc2ccccc2OC)ccc1	1
+s1c(-c2ncc(cc2)C)nc3ccccc13	11071
+c1(c(F)cccc1)C(c2c(F)cccc2)Oc3c(cc(cc3)N)C(=O)OC	0
+CCC(CC)(c1oc2c(ccc(c2)OCc3ccccc3)c1)c4ccc(O)c(C)c4	11072
+c1cc(ccc1)COc2c(C(Nc3c(C)cccc3)=O)cc(c(OCc4ccccc4)c2)Br	50
+c1cc(C)c(Nc2nc(nc3nccnc23)-c4cc(ccc4F)Br)cc1	3871
+c1(cccc2c1CCN2)-c3noc(-c4cnc(cc4)CCC)n3	931
+Nc1cc2c(cc1OCC)ncnc2Nc3cccc(C#C)c3	0
+c1(CCl)oc(nn1)-c2cc(ccc2)C#N	1705
+c1cc(ccc1)C(c2ccccc2)CN(Cc3cccc(C(F)(F)F)c3Cl)CCCOc4cccc(C(=O)OC)c4	20
+c1c(cccc1Cl)C2(c3cc(ccc3)Cl)C4C(CNC4)C(CC2)=O	25
+c1ccc(cc1CCn2nc(cc2N)C)C=3C=CC(=O)N(Cc4cc(C(=O)OC)ccc4)N=3	161
+C(c1cc(ccc1)OCC)C(=O)O	4
+CNCc1cc(ccc1)OCSC	1172
+c1c([N+]([O-])=O)cc(cc1)Cc2cn(c3ccccc23)CCCC(OCC)=O	11073
+n1cc(cc(Br)c1)C=Cc2cccc(N)c2	0
+c1c(C=Cc2cccc(N)c2)cccn1	0
+c1c(nc(C#N)cc1)-c2nc(ccc2)C(=O)O	1
+n1c(-c2cccc(C(OC)=O)n2)cccc1CN	421
+CC(C)=C(C(OC)=O)N1C(CC=C)C(C1=O)N	1955
+c1ccccc1COC2C(CCC2)N	45
+c1ccccc1C=2c3c4c(OC(C)(C)C4)c(cc3CC(CN)(C)N=2)OCC	45
+c1cc(ccc1C#N)Nc2nc(c(cn2)C#CCCCN)NCCC	45
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3c4ccccc4C5(COc6cc7OCOc7cc56)C3=O	20
+C1CC(CCN1CCCN)OC	45
+C1CCCCCN1CCCN	45
+c12OCOc1cc3C4(C(N(c5c4cccc5)CCCN)=O)COc3c2	45
+C(CN)Cc1cc(ccc1)C(=O)N	45
+c1cc(ccc1CCCN)CCc2nc(NC(=O)C)sc2	45
+c1cnccc1CCCN	45
+c1cc(ccc1Nc2ncnc(c2)-c3cc(ccc3)-c4ccccc4)N(CC)CCN	45
+c1n(CCN)cc(n1)C(=O)OC	45
+c12c(cccc1)C(=O)N(C2=O)c3c(N)cccc3	0
+Cc1c(-c2ncccc2)nc(cc1)N	1131
+Clc1cc2C(CCCN(C(c3cnc(cc3)NC(c4c(cccc4)Cl)=O)=O)c2cc1)CCN	45
+c1ccccc1-c2c(ncn2CCN)-c3ccccc3	45
+c1ccc2c(OCc3c(cccc3)C2C(C=O)CC=C)c1	24
+c1ccc2c(OCc3c(C2C(CCC)CNC)cccc3)c1	732
+c1ccc2C(C(CC=C)CO)c3c(cccc3)COc2c1	95
+c1ccc2c(c1)CC(C2)(C(=O)O)C	4
+c1cccc2CCC=3CC=CCC=3C(c12)CCO	11074
+c1ccc2CN(Cc2c1)C(c3c4c(nc(n3)N)ccc(C5(CCC5)C(O)=O)c4)=O	3
+C1(c2c(C(=O)N1C(C)(C)Cc3n4c(c(OCC(=O)OCC)ccc4)cn3)cccc2)=O	5094
+Clc1cccc(c1)C(N)Cc2ncccc2	45
+c1ccccc1COC(C(ON)Cc2ccccc2)=O	670
+C1(c2ncccc2CCC1)NCc3nc4c([nH]3)cccc4	2049
+c1ccc2c(c(C(O)=O)sc2c1)N	1
+c12c(cccc1)C(=O)N(C2=O)C(C#N)(CCCCO)CF	118
+N(C1COC2C(COC12)N)c3nc(ncc3Cl)Nc4cn(nc4)C	45
+C1(=O)c2ccccc2C(=O)N1C3Cc4c5cc(C#N)ccc5n(Cc6nc(F)ccc6)c4C3	11075
+c1ccccc1CC(N(Cc2c(cccc2)C(=O)O)S(=O)(=O)c3ccccc3OC)CN	45
+O=S1(=O)N(CC(CN)C1)CC	45
+C1C(C)N(C(CO1)C)CCN	45
+N1(CCCC1=O)CCCn2c(CCOC)nc3c(N)nc4ccc(cc4c23)CCN	45
+c1cccc2CCC(CO)Cc12	647
+Cn1c2c(cccc2)c(c1)C3C(C(=O)N(C)C3=O)c4c5ccccc5[nH]c4	11076
+Nc1cccc2c1ccc(n2)NC3CCc4ccccc34	0
+c12cccc(OC)c1cccc2N	0
+c1(O)ccccc1C(c2sc3ccccc3n2)=O	241
+c1ccc2c(sc(C(c3c(OCOC)cccc3)=O)n2)c1	11077
+c1ccccc1C(O)c2cc3c(cccc3)s2	2991
+c1ccc2cc(sc2c1)-c3cc(cc4c[nH]nc34)C(=O)O	1
+c1ccccc1C(c2cc3ccc(cc3c(c2)CCCNC(=O)C)OC)=O	222
+c1cccc2C(=O)N(C(=O)c12)CCCCCOCc3c4ccc5c6c(ccc(c46)cc3)ccc5	966
+n1c2c(cccc2N)ncc1	13
+c1cccc(-c2c(Cl)cccc2O)c1Cl	5
+c1cccc(-c2cc(N)cc(C(=O)OC)c2)c1OC	0
+n1cccnc1N2CCC(CC2)NC(=O)c3cnc(cc3)-c4ccccc4O	56
+c1cccc(-c2ccc(C(=O)O)cn2)c1O	1
+c1(c(OC)cccc1)C2CCCNC2	1446
+c1cccc(-c2cnc(CCCCC(=O)O)o2)c1OC	4
+c1cccc(-c2cnc(OCC(Nc3c(C(=O)O)csc3)=O)cc2)c1OC	1
+c1(-c2ccccc2O)nc3c(c(Cl)n1)cc(F)cc3	5
+c1(-c2ccccc2O)nc3c(ccc(C)c3)c(Cl)n1	5
+c1(-c2ccccc2O)nc3ccccc3c(Cl)n1	5
+c1cccc(-c2noc(CCCCC(=O)O)n2)c1OC	4
+c1cccc(C(=O)Nc2cn[nH]c2C(NCCCC(=O)O)=O)n1	3
+c1(NC(c2c(cccc2)I)=O)nn(cc1)-c3c(nccc3)Cl	330
+c1cccc(c1O)C=2C(c3c(cc(O)cc3)OC=2)=O	5
+O(c1ccccc1OC)C(C)CN	51
+c1(onc(-c2ccccc2F)c1)C=O	2180
+c1cccc(Oc2cc(N)c(cc2Cl)F)c1OCC(OCC)=O	106
+N#Cc1cc(nc(n1)-c2ccccc2OCCC)O	331
+c1ccccc1CC(NC(CN)=O)C(=O)NCC(O)=O	2139
+c1cccc2-c3ccccc3C(c12)COC(=O)NCCOC(c4ccc(cc4)N)=O	0
+C1(=O)c2ccccc2C(=O)N1C3CCC(CC3)C4C(=O)Nc5cnc6ccc(OC)nc6c5O4	11078
+c1ccc2ccc3c4c(ccc1c24)ccc3COCCCCCN	45
+C(C)N(CCN)CCF	45
+c1(ncccc1OCCN(CC)CCN)F	45
+CC(C)N1N=C(C=CC1=O)c2c3n(ccc(OCCN)c3)nc2-c4ccccc4	45
+CC(C)COc1ccc(cc1Cn2nc(N)cc2CC)Cl	1131
+c1ccc2C(=O)N(C(c2c1)=O)CCn3c(c(-c4ccccc4)nc3)-c5ccccc5	851
+c1ccccc1-c2c3c(ccc(Br)c3)nc(c2CN4C(=O)c5ccccc5C4=O)CC(C)C	11079
+O=C1c2ccccc2C(=O)N1CCCCC(=O)c3ccccc3	851
+c1cc(ccc1)C(Nc2cc(cnc2)Br)CN3C(=O)c4c(cccc4)C3=O	332
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOCCN4C(=O)c5ccccc5C4=O	332
+c1c2c(ccc1)C(=O)N(C2=O)CCc3nnc4n3-c5ccc(cc5C(c6ccccc6)=NC4)F	332
+c12c(C(=O)N(C1=O)C(CC)C=3N=C4SCCN4C(=O)C=3Cc5ccccc5)cccc2	11080
+c1cccc2c1C(=O)N(C2=O)CC(NCCc3ccccc3)=O	11081
+c12c(C(=O)N(C1=O)CC3N(C(=O)OCc4ccccc4)CCCC3C)cccc2	332
+C1(c2c(C(=O)N1CC3CC(C3)n4cc(-c5cccc(OCc6ccccc6)c5)c7c(ncnc47)N)cccc2)=O	332
+c1ccccc1COc2ccc3c(c2)C(=C(N(CC(C)C)C3=O)CN4C(c5c(C4=O)cccc5)=O)OCCCC	3749
+CC(C)CN1C(=C(c2ccccc2F)c3cc(OCc4ccccc4)ccc3C1=O)CN5C(=O)c6ccccc6C5=O	11082
+c1c2C(=O)N(C(c2ccc1)=O)C(c3c(nc4c(c(ccc4)Cl)c3)-c5cc(ccc5)F)C	4377
+c12c(cccc1)C(=O)N(C2=O)CCc3cc(-c4cnc(Nc5cccc(F)c5)nc4NCCC)on3	332
+C1c2ccccc2CC1(C(O)=O)NC(c3cc(OCCc4cc(C)ccc4)c(cc3)Br)=O	4
+c12CCc3ccccc3N(c1cccc2)CC(O)CN	18
+c1cc(ccn1)NC(NCCCCCCN2C(=O)C=Cc3c2cccc3)=NC#N	11083
+C(COCCN1CCN2c3ccccc3Cc4c(C2C1)cccc4)(=O)O	3
+C1CCCCC2N1c3c(NC2)cccc3	15
+c1cccc2c(cccc12)Cn3c(nc4ccccc34)SCCCC(=O)O	3
+c1cc(ccc1)COC(C2N(CCC2)C(=O)C3(c4c(cccc4)-c5ccccc35)O)=O	478
+CCC(C=CCN)=CC	1764
+c1cc(ccc1OCCN)-c2oc(nc2-c3ccc(cc3)OC)OC	45
+C1c2ccccc2CC1NCCCC3N(CCCC3)Cc4ccccc4	110
+c1cccc2c1snc2NCCNC(c3ccc(C(=O)O)cn3)=O	1
+c12ccc3ccccc3c1cc(c4c2cccc4)C	11084
+c1cccc2c1c(C=O)n[nH]2	178
+c1cccc2nc(-c3ccc(cc3OCCOCCOCCOC)N)sc12	0
+c1cc(ccc1)-c2nc(CNc3cnc4c(n3)cccc4)n(S(=O)(=O)N(C)C)c2	1284
+c1cc(ccc1)-c2c(c3c([nH]2)cccc3)C4CCNCC4	671
+c1cc(ccc1C)-c2nc3CCCNc3nc2-c4ccccc4	5079
+c1cc(ccc1CN2CCC(CC2)n3c4c(nc3C)cccc4)-c5c(cc(c(n5)N)N)-c6ccccc6	13
+c1ccccc1-c2cc3c(nc2-c4ccc(cc4)C=O)ccnc3O	39
+c1ccc2c(c3c(c4c2cccc4)cccc3)c1	5049
+c1cc(ccc1)-c2c(ccc(CC=3C(C(OC)=C(OC)C(=O)C=3C)=O)c2)C(O)=O	1450
+c1ccccc1-c2c(C(O)=O)ccc(c2)C	1
+c1ccccc1-c2c(ccc(c2)Br)CO	98
+c1cc(ccc1)-c2c(C(=O)OC)c3cc(F)ccc3nc2C(Nc4c(c(N)ncn4)C#N)C	40
+c1cc(ccc1)COc2ccc3cc(ccc3c2)Cn4cc(CO)c(c4)-c5ccccc5	295
+c1ccccc1-c2cccc(COc3cc(c(cc3Br)C=O)OCc4cc(C#N)cnc4)c2C	751
+c1cc(ccc1)-c2c(cc(cc2)-c3nc(O)c4cc(O)c(OC)cc4n3)F	5
+c1ccccc1-c2c(N)cc(C(O)=S)cc2SCc3ccccc3	1128
+c1ccccc1-c2c(ccc(C)c2)NC#N	11085
+c1cc(ccc1)CNc2nc3ccc(c(C(O)=O)c3nc2-c4ccccc4)OC	1
+c1cc(ccc1)-c2c(Nc3c(cccc3)C(C)C)c(ccc2)N	0
+c1cc(ccc1)-c2c(ncc(c2)N)OC	13
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCCNCCCCCCC	15
+c1cc(ccc1)-c2c3c(O)cccc3[nH]c2C	11086
+C1CC(C)(C)CCC1Cc2cc(O)c(c(n2)O)-c3ccccc3	11087
+c1ccccc1-c2noc(c2-c3cn(-c4ccc(cc4)[N+]([O-])=O)c(n3)C=O)C	2287
+c1cc(ccc1)Cn2c(-c3ccccc3)c(C)c4c(cccc24)Br	190
+c1cc(ccc1)-c2c(c(C#N)c3c(c2F)oc(CNC)n3)C	62
+c1ccccc1-c2c(C(NC)=O)c3c(nc2C(Nc4c(c(N)ncn4)C#N)C)cccn3	40
+c1ccccc1-c2ccc(N)cc2OC	0
+c1cc(ccc1)-c2c(C)cc3cc(ccc3c2O)OC	173
+c1ccccc1-c2c(C(=O)O)ccc(Cc3c(C)c(c(c(OC)c3OC)OC)OC)c2	1
+O=S(=O)(c1ccc(c(-c2ccccc2)c1)CO)C	98
+c1ccccc1-c2cc(Br)ccc2C=O	39
+c1cc(ccc1)-c2c(-c3ccc(cc3)F)c(n(c2C(O)=O)C(C)C)C=O	6
+c1ccccc1-c2cn3c(nc2Cl)c4cc(ccc4n3)F	11088
+c1cc(ccc1)-c2noc3c2c(nc(C(=O)OCC)c3O)-c4cn(Cc5ccccc5)nn4	2743
+c1cc(ccc1)-c2c(sc3c2ccc(c3)O)C(c4ccccc4)=O	5
+c1cc(ccc1)-c2c(c(nc3c2cc(cc3)Br)CC(C)C)CN	45
+c1ccccc1-c2[nH]c3c4c(ccc3)C(=O)CCc24	2207
+c1cc(ccc1)-c2cc(CO)cc3c2ccc(O)c3	49
+c1cc(ccc1Cn2cc(C(OC)=O)c(c2)-c3ccccc3)OCc4ccccc4	5096
+c1ccccc1-c2c(C(OC)=O)cn(Cc3cc4c(cc3)cc(cc4)OCc5ccccc5)c2	5096
+c1ccccc1-c2cc(C=O)c(n2S(=O)(=O)c3cnccc3)C	1639
+c1cc(ccc1)-c2cc(c[nH]2)C(=O)OCC	1866
+c1ccccc1-c2cc(c[nH]2)C=O	200
+c1cc(ccc1)-c2ccc3c(NC(=O)C3)c2	1089
+c1ccccc1-c2c(C(OC)=O)ccc(c2)N	0
+c1ccccc1-c2cc([N+](=O)[O-])c(CC(=O)O)cc2	4
+c1ccccc1-c2cc(CO)c(cc2)C	41
+c1ccccc1-c2cc([N+]([O-])=O)c(cc2)CC(=O)OC	1540
+c1cc(ccc1)-c2cc(cc(-c3ccccc3)c2O)S	1180
+c1ccccc1-c2cc(cc(C(=O)O)c2)OC	1
+c1ccccc1-c2c3ncn(C)c3cc(NC)c2	11089
+c1ccccc1-c2cc(ncn2)NS(=O)(=O)c3ccc(cc3)N	0
+c1cc(ccc1)-c2cnc3c(c(C(=O)NCC(=O)O)c(c(-c4ccccc4)c3)O)n2	3
+c1cc(ccc1)-c2cnc3N(C(C(=C(O)c3c2)C(OCC)=O)=O)O	1697
+c1ccccc1-c2ccc3sc(c(Nc4cc(Cl)c(F)cc4)c3c2)N	2415
+c1ccccc1-c2cc3n(CCO)c(nc3c(C)c2)CCC	44
+c1ccccc1-c2cc3n(c2)CCCC3	11090
+c1ccccc1-c2cc(c(cc2)CO)CN	11091
+c1cc(ccc1-c2ccccc2)-c3nocc3CO	903
+c1ccccc1-c2ccc(cc2)-c3nocc3CCC(O)=O	3
+c1ccccc1-c2ccc(cc2)-c3cc(Nc4ncc(C5CC5)cc4C(O)=O)cc6c3n(cc6)C	1
+c1ccccc1-c2ccc(cc2)-c3c4c(ccn4C)cc(N)c3	0
+c1ccccc1-c2ccc(cc2)CCCCCO	213
+c1ccccc1-c2ccc(cc2)C(=O)Nc3c(scc3)C(=O)O	1
+c1ccccc1-c2ccc(cc2)C(CC#N)NC(CNC(CCCCNc3ccccn3)=O)=O	207
+c1cc(ccc1-c2ccccc2)CC(NC(=O)c3c(OCc4ccccc4)ccc(c3)Br)C(OC)=O	22
+O=S(=O)(C(C(NO)=O)(CCc1ccc(cc1)-c2ccccc2)C)C	792
+c1ccccc1-c2ccc(cc2)NC(=O)CC(O)=O	3
+c1ccccc1-c2ccc(cc2)NC(=O)c3ccc(c(N)c3)OC	0
+c1cc(ccc1OCCCC(O)=O)-c2ccccc2	3
+c1ccccc1-c2nc3cc(ccc3cc2)-c4nc(n5ccnc(Cl)c45)C	4042
+c1ccccc1C(Nc2n3c(ccc(-c4ccccc4)n3)nc2)=O	1542
+c1cc(ccc1)-c2cccc(CC(O)=O)c2	4
+c1cc(ccc1)-c2ccccc2-c3c(ccc(F)c3)O	5
+c1ccccc1-c2nc(CN)n(S(=O)(=O)N(C)C)c2	102
+c1cc(ccc1)-c2c(O)c(c3c(c2)ncc(n3)-c4ccccc4)C(OC)=O	5
+C1CC(CCN1c2nc(Cl)nc3c2c(cs3)-c4ccccc4)C=O	24
+O=S(=O)(n1c(-c2ccccc2)c(c(C=O)c1)F)c3cccnc3	5072
+c1ccccc1-c2n3c(ccc(C(O)=O)c3)nc2C	1
+c1cc(ccc1)-c2n3nc(C(=O)O)ccc3nc2-c4ccc(cc4)C5(CCC5)N	6
+c1ccccc1-c2nn(cc2)C=3C=C(OCc4ccccc4)C(=O)N(C)C=3	11092
+c1ccccc1-c2onc(-c3ccc(cc3)N)n2	0
+c1ccccc1-c2nc(oc2-c3ccccc3)C4CCCCC4Cc5cc(ccc5)O	5
+c1ccccc1-c2c([nH]c(n2)SCCCCC(O)=O)-c3ccccc3	3
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCCCCCNCCCC	15
+c1cc(ccc1)-c2oc(c(n2)CCOC)C	21
+c1ccccc1-c2nc(C)c(C(C(=O)O)CCC)c(n2)-c3cc4NC(=O)Nc4cc3	4
+c1ccccc1-c2scc(CO)n2	11093
+c1ccccc1-c2nc(on2)C3CC(CC3)Nc4c5c([nH]nc5)ncn4	1002
+c1ccccc1-c2nc(-c3c(cccc3)N)sc2	0
+c1ccccc1-c2c(-c3ccccc3)nc4c(n2)CCCN4CCCC=CCC(=O)O	4
+c1ccccc1-c2nc(-c3cc(ccc3)N)c4c(N)c(sc4n2)C(=O)O	6
+c1cc(ccc1)-c2c(c(C(=O)NC(c3ccccc3)CC)c4c(cccc4)n2)CN=[N+]=[N-]	14
+c1ccccc1-c2c(NCc3ccccc3)nc4c(c(C(=O)OC)c(OC)cc4)n2	1284
+c1ccccc1-c2sc3c(c(ccc3)CO)n2	59
+c1ccccc1-c2sc3c(cc(C=O)c(OC)c3)n2	39
+c1ccccc1-c2nc3c(c(-c4cccc(N)c4)n2)c(c(s3)C(=O)OCC)N	0
+c1ccccc1-c2nc(c(cn2)C(=O)O)-c3ccccc3Cl	6
+c1cc(ccc1)-c2cc(ccn2)C(C)C	1382
+c1ccccc1-c2c3c(n(CC#N)n2)C(=O)N(c4ccc(cc4)Cl)C(=N3)c5ccc(cc5)C(C)C	143
+c1cc(ccc1)-c2c3c(n(C)n2)C4(C(C(C(C(C#N)C4)=O)C)CC3)c5ccccc5	11094
+c1cc(ccc1)-c2n[nH]c3c2cc(-c4cnn(C)c4)nc3	11095
+c1ccccc1-c2ccn(n2)C3=CN(C)C(C(O)=C3)=O	4733
+c1ccccc1-c2nn3ccccc3c2C=4C=CC(N(C5CC(=O)CCC5)N=4)=O	86
+c1ccccc1-c2ccc3ncc(n3n2)N	1901
+c1ccccc1-c2nnc(c3ccccc23)Cc4ccc(cc4)O	5
+c1ccccc1-c2nnc(Cc3ccc(cc3)Oc4ncccc4-c5ccnc(n5)NC)c6ccccc26	136
+c1cc(ccc1)C(N2CCN(CC2)c3ccnnc3-c4ccccc4)=O	1288
+c1ccccc1-c2oc(CCC(O)=O)nn2	4
+c1ccccc1-c2oc(C)c(n2)COc3cccc(COc4nn(cc4C=O)Cc5ccccc5)c3	576
+c1ccccc1-c2oc(C)c(n2)COc3cccc(COc4c(CO)cn(Cc5ccccc5)n4)c3	536
+c1ccccc1-c2nc(c(CCCOC)s2)C(O)=O	6
+c1ccccc1-c2sc(nn2)NC(=O)c3c(N)c4cc(cnc4s3)C(=O)O	6
+c1ccccc1-c2sc3c(c(ccc3)C=O)n2	200
+c1cc(ccc1)-c2nc3c(cc(OC)c(c3)CNC4C(NCCC4)c5ccccc5)s2	42
+c1ccccc1-c2nc3cc(c(cc3s2)OC)CO	98
+c1ccccc1-c2scc(COc3cccc4oc(cc34)-c5nc6n(c5)nc(OC)s6)n2	1963
+c1ccccc1-n2nc(C(C)(C)CO)cc2N	44
+c1cc(ccc1)-n2nccc2NC(Oc3ccccc3)=O	278
+c1cc(ccc1)-n2c(C(Nc3[nH]nnn3)=O)c(OC(C)C)c(Br)c2Br	11096
+c1ccccc1-n2c(N)c(c(SC)n2)C(On3nnc4cccnc34)=O	11097
+c1ccccc1-n2c(c(C(O)=O)cn2)CC	1
+c1ccccc1-n2c3c(nc2)ccc(C=O)c3	39
+c1ccccc1-n2c(-c3ccccc3)nc4c2ncnc4NCCC=O	24
+c1ccccc1-n2cc(C)c(CO)n2	194
+c1cc(ccc1)N2C=C(C(=O)N2)C=O	11098
+c1cc(ccc1)-n2nc(c(C=O)c2)-c3oc([N+](=O)[O-])cc3	576
+c1ccccc1-n2cc(CO)c(-c3ccc([N+](=O)[O-])o3)n2	11099
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(O)=O)CCC3)n2	3
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(N6CC(C6)C(O)=O)=O)CCC3)n2	4
+c1ccccc1-n2c(ncc2)-c3cc(O)ccc3	5
+c1ccccc1-n2cc(c(CCN)n2)C	51
+c1ccccc1-n2c(cc(CC)n2)NC(Oc3ccccc3)=O	278
+c1ccccc1-n2c(c(c(n2)SC)C(=O)O)N	6
+c1ccccc1-n2nc(SC)c3ccc(N)cc23	0
+c1ccccc1-n2c(cc(n2)C(=O)O)OCC(=O)N3C(CCC3)C(NCCF)=O	6
+c1cc(ccc1)COC(=O)C2CCCN2C(=O)COc3cc(C(=O)OCC)nn3-c4ccccc4	478
+c1ccccc1-n2nc(cc2OCC(O)=O)C(OCC)=O	210
+c1ccccc1C#Cc2c(NC(=O)C)n[nH]c2-c3cc(F)ccc3	1249
+c1ccccc1C#Cc2c(c(Cl)cc3nc(c(OC)nc23)OC)Cl	11100
+c1ccccc1CCC2=C(Br)C(=O)N(Cc3cc(ccc3)F)C=C2	11101
+c1cc(ccc1)C#Cc2c([nH]nc2-c3cccc(c3)F)N	1670
+c1cc(ccc1)-c2[nH]c3c(cc(c(-c4occc4)n3)-c5ccncn5)c2	3152
+c1ccccc1C#Cc2cc(c(OCCC)cc2)C(=O)O	1
+c1ccccc1C#Cc2cc(c(OC(C)C)cc2)C(NC(Cc3c4ccccc4[nH]c3)(C(=O)O)C)=O	4
+c1ccccc1C#Cc2ccc(c(C(NC(C)(Cc3c4ccccc4[nH]c3)CO)=O)c2)OC(C)C	21
+CC(C)Oc1ccc(cc1C(O)=O)C#Cc2ccccc2	1
+OB(O)c1ccc(cc1)C#Cc2ccccc2	493
+c1ccccc1C#Cc2ccc(cc2)B(O)OC	493
+c1ccccc1C#Cc2ccc(cc2)OCCc3nc(sc3)SC(C)(C)C(=O)O	4
+c1cc(ccc1F)-c2[nH]nc3c2cc(cc3)C#Cc4ccccc4	804
+c1cc(ccc1)CCc2cc3c(N=C(CC(N3)=O)c4cccc(c4)C#N)cc2	1702
+c1cc(ccc1OCOC)C(=C(CC)c2ccccc2)C(O)=O	108
+c1ccccc1C(Nc2ccc(cc2)CC(=O)OCC)=C3c4ccccc4NC3=O	5097
+c1cc(ccc1)C(O)CN(C)Cc2ccc(Cl)cc2Cl	74
+c1ccccc1C(N(C)CC(CC=O)c2ccc(Cl)c(Cl)c2)=O	24
+c1ccccc1C(=O)N(C)CCOc2ccc(cc2)CC3SC(=O)NC3=O	534
+c1cc(ccc1)-c2oc(c(C)n2)CC(=O)OCC	11102
+c1cc(ccc1)C(=O)Nc2c(N)ccc(N3CCCC3)c2	0
+c1cc(ccc1)C(=O)Nc2c(ccc(c2)C)N	0
+c1ccccc1C(=O)Nc2ccc(c(N)c2)OC	0
+c1ccccc1C(=O)Nc2ccc(cc2)CN3C(=O)C(CCC(NO)=O)=CC3	11103
+c1ccccc1C(=O)Nc2n[nH]c3c2cc(cc3F)N	0
+c1ccccc1C(=O)Nc2nc3c(s2)cc(cc3)N	0
+c1ccccc1C(=O)Nc2sc3cc(Nc4nc(Nc5n[nH]c(c5)C)ccn4)ccc3n2	55
+Clc1cccc(OCC(F)CCC2C3C(OC(=O)C3)CC2O)c1	682
+C1COC(O1)(CCC2C(O)CC3OC(=O)CC23)COc4cccc(Cl)c4	682
+Clc1cc2c(noc2cc1)OCC(CO)N	682
+c1ccccc1C(OCOC(=O)C2Cc3c(n(C(c4ccccc4)=O)c5c3cccc5)CC2)=O	11104
+O=C(N1C(SCC1C(O)=O)c2c(O)cccc2)CCS	11105
+c1cc(ccc1)C(=O)c2c3c(sc2N)cccc3	5051
+c1cc(ccc1)-c2c3c(cccc3)nc(-c4sc(CC(=O)N)cc4)c2	11106
+c1ccccc1C(=O)c2ccc(CC(=O)O)c([N+](=O)[O-])c2	3
+c1ccccc1C(=O)c2ccc(CC(=O)OCC)c(N)c2	0
+c1ccccc1C(=O)c2cc3c(C(C(=O)O)CC3)cc2O	4
+c1ccccc1C(=O)c2cc3cc(ccc3o2)O	5
+c1ccccc1C(c2cc(C=O)c(cc2)[N+]([O-])=O)=O	1054
+c1ccccc1C(=O)c2c(O)c(c(cc2)O)CCC	732
+c1ccccc1C(=O)c2cccc(CC(N)=O)c2N	11107
+c1ccccc1C(c2ncnc(SC)c2)O	5084
+c1ccccc1C(C(=O)NC(CC(=O)OCC)c2cccc(c2)NS(=O)(=O)c3cc(N)ccc3)CC	0
+C1CC(CCN1)C(c2ccccc2)C(=O)OC	62
+c1cc(ccc1)C(c2cnc3c(cccc3OC)c2O)=O	11108
+c1cc(ccc1OCC(C)CCC)C(CN)NC(C(C)c2ccccc2)=O	18
+CC(C)(N1C(c2c(c(Cl)c(F)cc2I)C1)=O)c3ccccc3	4840
+c1cc(ccc1)C(C)(C)c2cc(C(C)(C)c3ccccc3)c(O)c(c2)-n4nc5c(n4)cccc5	4833
+c1cc(ccc1C2OCCN(C(C)c3ccccc3)C2)Br	15
+c1cc(ccc1)C(N2CC(C(c3ccccc3)=O)CC2=O)C	832
+c1ccccc1C(N2C(C(CC2)CN)C(=O)N)C	18
+c1ccccc1C(C)n2c3ccccc3c(C(O)=O)c2C	6
+c1ccccc1C(c2c(c(N)cc(Br)c2)OCCC)C=C	0
+c1ccccc1C(CC=O)c2cc(OC)cc3c2cc[nH]3	578
+c1ccccc1C(CC(OCC)=O)Cc2ccc(cc2)O	5
+c1ccccc1C(CC)C(NC(CC(=O)OCC)c2cccc(N)c2)=O	0
+c1ccccc1Cn2c(ccc2-c3ccc4cc(ccc4c3)OC)-c5ccccc5	11109
+c1ccccc1C(CCCCCNc2c(N)cnc3ccccc23)=O	13
+C1CN(CCC1CCCc2ccccc2)CCC(c3ccccc3)O	74
+C1COCCN1CC(CO)c2ccccc2	44
+c1cc(ccc1)C2COCC(N2)=O	467
+c1ccccc1C(Cc2ccc(cc2)OCCc3cccc(NC)n3)CC(OCC)=O	11110
+c1cc(ccc1)C(NCc2ccccc2)=O	93
+c1ccccc1C(=O)N2C(N(C3OC(C(OCc4ccccc4)C3)COC(=O)C)C=C(F)C2=O)=O	4229
+c1ccccc1COc2c(C)cc(OC(c3ccccc3)=O)cc2CC	1039
+c1ccccc1C(NCCc2nc(sc2)Nc3c(cccn3)OCc4ccccc4)=O	93
+c1ccccc1C(=O)N(CCCSc2ccncc2)Cc3cccs3	115
+c1ccccc1C(N2Cc3n(CC2)ccc3)=O	115
+c1cc(ccc1)C(OCCOc2cc(C)nc(c2)-c3nc(C)ccc3)=O	279
+c1ccccc1C(Nc2nc3c(cc(cc3)Sc4n5cccnc5nc4)s2)=O	548
+C1CC(CCC1)N(CCCCCC=O)C(c2ccccc2)=O	24
+c1ccccc1C(=O)N(C)CC(CCO)c2cc(Cl)c(Cl)cc2	168
+c1cc(ccc1)C(CC)NC(c2c3n(cc2)CCOC3)=O	56
+c1ccccc1C(NCC(O)C(NC(=O)OCc2ccccc2)Cc3cc(F)cc(c3)F)COCC=C	122
+CN(C)CCOc1ccccc1NC(=S)N	401
+c1ccccc1C2COC(C(CC=CCC(C)C(=O)N2)C)=O	11111
+c1ccccc1C(c2c(cc(Cl)cc2)C)NC(Cc3cc4nc(-c5c(C)ccnc5C)oc4cc3)=O	3908
+C(N)(Nc1c(cccc1)OCCC)=S	401
+c1cc(ccc1)Oc2cc(cnc2NC(=S)N)Cl	401
+c1cc(ccc1)C(NCC(C(Cc2cc(F)cc(c2)F)N)O)COCC=C	102
+c1ccccc1C(C(=O)O)Nc2cc(Br)c(cc2)C#N	4
+c1cc(ccc1NC(c2ccccc2)=O)C=CC(=O)O	127
+c1ccccc1C(Nc2ccc(cc2)CC(=O)O)=C3c4ccccc4NC3=O	3
+c1ccccc1C(Nc2ccc(cc2)N(C)C(=O)C)=C3c4ccccc4NC3=O	5097
+c1ccccc1C(CCCCCNc2c3ccccc3ncc2[N+]([O-])=O)=O	155
+c1cc(ccc1)C(=O)CNC(=O)C	155
+c1ccccc1C(CNc2nc(nc3sc(cc23)C)C)=O	155
+c1ccccc1Cc2sc3c(cccc3)c2	1429
+c1ccccc1C(c2[nH]c3c(nccc3c2)Cl)=O	2229
+c1cc(ccc1)C(OCCOc2cccc(CN3CC(Nc4c5ccncc5ccc4)CC3)c2)=O	48
+c1ccccc1C(c2cc3c([nH]2)cncc3)=O	11112
+c1ccccc1C(=O)c2cc(Br)ccc2C(N(Cc3ccc(cc3)S(=O)(=O)C)CC(=O)CCC)=O	86
+c1ccccc1C(=O)c2cc(c(N)cc2)C=O	0
+c1ccccc1C(=O)c2cc([N+]([O-])=O)c(CC(OCC)=O)cc2	976
+c1cc(ccc1)C(=O)c2cc(Cl)c(cc2OCC(OCC)=O)OC	335
+c1cc(ccc1)C(c2c(ccc(-c3nc(ncc3)N)c2)F)=O	335
+c1ccccc1C(=O)c2cc3CCC(C(=O)OC)c3cc2O	5
+c1cc(ccc1)C(CC(=O)O)c2cc3c([nH]cc3)cc2	3
+c1ccccc1C(c2cc3cnn(-c4ccc(cc4)F)c3cc2)C(C)(C)C=O	24
+c1ccccc1C(c2ccccc2)(CN)CN(CC)CC	51
+c1ccccc1C(c2ccccc2)(CCC(OCC)=O)CC#N	783
+c1cc(ccc1)C(c2ccccc2)(CC3CCN(CC3)CCc4ccccc4)C(N)=O	28
+c1ccccc1C(c2ccccc2)=CC3CCNCC3	3039
+c1ccccc1C(c2ccccc2)(CCC(C)(C)NC)C(=O)N	25
+c1cc(ccc1)C(c2ccccc2)(CC#N)CCCO	44
+c1ccccc1C(c2ccccc2)(C(=O)N)CCCNC	25
+c1cc(ccc1)C(c2ccccc2)(CCN)O	51
+c1ccccc1C(c2ccccc2)(O)CCNCc3ccccc3	162
+c1ccccc1C(c2ccccc2)(c3ccc(cc3)OC)OCC4OC(CC4O)N5C=C(C(NC5=O)=O)C#C	4572
+C(OC)CC1N(CCNC1)C	3171
+N1CC2C(C(NC(Nc3cc(-c4nnnn4C)cc(CC)c3)=O)CC2)C1	3171
+c1cc(ccc1F)CC2CN(CCC2)C3C4CNCC4CC3	3171
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)CO	44
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)CN	18
+CC(C)C(O)C(CC)N	11113
+C1N(CCC1CF)C(CO)C	1454
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CCO)O	44
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCC=O	24
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCCC=O	24
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCNC(CCCCCN(C)CCN)=O	12
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(N5CCOCC5)c6c4cc(nc6CO)Cl	453
+c1cc(ccc1)C(NC(Nc2ncc3c([nH]nc3c2)NCC)=O)C	11114
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4ncc5c4cc([N+]([O-])=O)c(CCNCc6ccc(cc6)F)c5	15
+c1cc(ccc1OCCCc2cnc[nH]2)F	5098
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(CCO)c4	21
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COc5c(cccc5)OCc6ccccc6)c4	2303
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(COCC(=O)O)nc4	3
+c1ccccc1COc2ccccc2OCc3nc[nH]c3	5098
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4ncc5c4cc(c(CCNCc6ccc(cc6)F)c5)N	0
+c1ccccc1C(c2ccccc2)C3CCN(CC3)c4nc5c([nH]4)cccc5	4689
+c1cc(ccc1)C(c2ccccc2)CC3CCN(CC3)CCCCCCCCc4cccnc4	3040
+FC(F)(F)c1c(CBr)c(ccc1C#N)N	828
+CN(C)C1CC=C(CC1)c2c(F)c(ccc2)N	828
+CC(C)(C)OC(N1CC(c2c1cc(N)c3ccccc23)CCl)=O	828
+c1cc(ccc1)C(c2ccccc2)(C#N)CC3CCN(CC3)Cc4ccccc4	11115
+c1ccccc1C(c2ccccc2)C(N(CC=CCO)CC)=O	2502
+c1ccccc1C(c2ccccc2)C(Nc3c(nc(COCc4ccccc4)nc3)O)=O	1681
+c1ccccc1C(c2ccccc2)C(C(=O)NC(C)CCCC(C(OCC)=O)N)NC(OC)=O	689
+c1cc(ccc1)C(c2ccccc2)C(Nc3c(O)nc(nc3)CO)=O	118
+c1ccccc1C(c2ccccc2)C3CC(CCO3)N	18
+c1ccccc1C(c2ccccc2)C=C	4318
+c1ccccc1C(c2ccccc2)CN(Cc3c(Cl)c(C(F)(F)F)ccc3)CCCOc4ccc(cc4)C(=O)O	1
+c1ccccc1C(c2ccccc2)N(C)CCN(C)CCCCN	45
+CN(C)CC1(CNC1)F	539
+CC(C)(C)OC(NCC1(CNC1)F)=O	539
+CC(C)(C)OC(=O)NCC1(CNC1)N2CCOCC2	539
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)CN4CCC4	15
+O=S(=O)(C)NC1CNC1	539
+C1NCC1S(c2ccc(cc2)Cl)=O	539
+c1cc(ccc1Cl)SC2CNC2	539
+CC(C)(C)OC(=O)NC1CNC1CC	539
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CN	15
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CCCCN	45
+C1CC(CCN1)CCCCNC(CCc2cnccc2)=O	539
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CNC	695
+c1ccccc1C(c2ccccc2)N3CCN(CC3)C(C4C(C=O)C4)=O	24
+c1ccccc1C(c2ccccc2)N3CCN(CC3)C(=O)C4CC4CO	44
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCNc4cc(ccc4O)C	15
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCNc4ccc(C(F)(F)F)cc4N	0
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCNC	215
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOCCN	45
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4ccc(N)cc4C#N	0
+c1ccccc1C(c2ccccc2)N3c4ccc(C)cc4C5(COc6cc7OCOc7cc56)C3=O	11116
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4cc(ccc34)C)c5c(cc6c(OCO6)c5)O)=O	462
+Cc1cc2c(cc1)NC(=O)C23COc4cc5OCOc5cc34	3162
+c1cc(ccc1)C(c2ccccc2)n3c4ccc(Cl)cc4cc3CCNS(=O)(=O)Cc5cc(c(cc5)Cl)Cl	4227
+c1ccccc1C(c2ccccc2)OC(C=3N4C(C(N)C4SCC=3c5cnc(NC(=O)C)s5)=O)=O	84
+n1c(sc(c1)C=2CSC3C(C(=O)N3C=2C(=O)O)NC(Cc4cccs4)=O)NC(C)=O	11117
+c1cc(ccc1)C(c2nnn(CCCCCCCCCCCC)n2)C(O)=O	3
+c1ccccc1C(n2c3nc(Cl)ncc3c(C(O)=O)c2C)C	1
+c1cc(ccc1)C(n2ccc3ccccc23)CCO	95
+C1CCCCC1(CCC(=O)O)c2ccccc2	1571
+c1ccccc1C2(CN(S(=O)(=O)c3ccccc3)C)C(C=O)C2	24
+c1ccccc1C2(CC(C2)C)c3cc(OCc4ccc5cc(ccc5n4)F)ccc3C(=O)CBr	380
+c1ccccc1C2(CC2)c3nc4c(nc(-c5c(F)cc(cc5)CCN)s4)cc3	157
+c1ccccc1C2(CC2)c3nc4c(nc(-c5c(F)cc(CC[N+](=O)[O-])cc5)s4)cc3	364
+c1ccccc1C2(CC2)c3nc4c(nc(-c5c(F)cc(cc5)C=O)s4)cc3	2910
+c1ccccc1C2(CNc3c2ccc(c3)C#N)C	621
+c1ccccc1C2(CCc3nnc(C)o3)CCN(C(=O)O2)C(C)c4ccc(cc4)Br	1037
+c1ccccc1C2(c3ccccc3)C=Cc4c(C2)n[nH]c4C(=O)O	6
+c1ccccc1C2(c3ccccc3)CCCN(C2=O)CC(=O)O	3
+c1ccccc1C2(CCN(CC2)CCN)c3ccccc3	51
+c1ccccc1C2=C(N(C(=O)c3ccccc23)C)C=CC(O)CC(O)CC(O)=O	3
+c1ccccc1-c2c3n(ccc2)ccn3	11118
+CC1(C)Cc2c(c(cc3c2C(=NC(C)(C)C3)c4ccccc4)O)O1	5
+c1ccccc1CN2N=C(C(C(Nc3ncnc(N)c3C#N)C)=CC2=O)c4ccccc4	2596
+c1ccccc1C2CCc3c(ccc(O)c3)C2=O	5
+c1ccccc1C2c3c(C(O)C2CC)c(Cl)c(c(OCC(=O)O)c3)Cl	74
+c1cc(ccc1)C2C(N)C(=O)Nc3ccccc3O2	1584
+C1CC(CCC1CN)c2ccccc2	18
+c1ccccc1C2CCC(CC2)Nc3c(I)c(ncn3)CC	40
+c1ccccc1C2C(=O)N(CCC2)CC(O)=O	3
+c1ccccc1C2Oc3c4n(CCOC)c(C)nc4cc(C(=O)O)c3CC2	1
+c1cc(ccc1)C2Cc3ccc(O)cc3CC2	165
+c1ccccc1C2CN(C)CCc3cc(sc23)CO	1364
+c1cc(ccc1)C2N(C)C(=O)CC2CO	95
+c1cc(ccc1)N2CC(c3ccccc3)NCC2	62
+c1ccccc1C2C(CC)C(=O)c3c(Cl)c(Cl)c(OCC(=O)O)cc23	3
+c1ccccc1C=2C(=O)N(CC3CCCCC3)c4c(c(O)c(C(NCCCC(=O)O)=O)nc4)C=2	3
+c1cc(ccc1)CN2c3c(-c4cccnc4)nc(C(=O)O)c(c3C=C(C2=O)c5ccccc5)O	1
+c1ccccc1C=2CCN(CC3CC(CCC3)=O)CC=2	97
+c1ccccc1C=2CCN(CC=2)CCC#Cc3ncc(cc3)N	13
+c1ccccc1C=2CCN(CCCCN(c3cc(ccc3C(=O)O)[N+]([O-])=O)C(OCC)=O)CC=2	1
+c1ccccc1C=2N(C(C(C(C)C)N(C(C)=O)C=2)=O)CC(=O)NC(C=O)Cc3ccccc3	24
+c1ccccc1C2=C(C=CC(CC(CC(=O)OCC)O)O)N(C(=O)c3ccccc23)C	770
+c1cc(ccc1)CC(C#N)C(OCC)=O	11119
+c1cc(ccc1)CC2C(c3[nH]c4c(c3CC2)c(Cl)c(Cl)cc4)=O	4730
+c1ccccc1C=C2c3nc(C)c(cc3CCC2)CO	351
+c1ccccc1C=C2c3nc(C)c(cc3CCC2)C=O	200
+c1ccccc1C2CC(c3cc(Br)c(cc3O2)F)=O	11120
+c1ccccc1CNCCCCCCCCCCCC	1172
+c1ccccc1-c2nc3cc(ccc3o2)C	11121
+c1ccccc1CNCCOCc2ccccc2	42
+c1cc(ccc1)CNc2ccccc2C=Cc3n[nH]c4c3cccc4	208
+c1ccccc1CC(CCCCc2ccccc2)C(=O)OC	2494
+c1ccccc1CCNc2c(cc(cc2S(=O)(=O)N)C(O)=O)NCc3ccccc3	608
+c1ccccc1COC(=O)C2C(OCC(N2Cc3ccccc3)=O)C	283
+c1cc(ccc1)COc2ccc(c3CCC(N(Cc4ccccc4)c23)=O)CC5SC(=O)NC5=O	22
+c1cc(ccc1)COC(=O)NC2CCCC(c3nc-4c(C(=O)N(C)c5ccccc-45)n3Cc6ccccc6)C2	371
+c1cc(ccc1)COC=2c3cncnc3N(C(=O)C=2)OCc4ccccc4	11122
+c1cc(ccc1)Oc2ccccc2-c3nnc(SCc4ccccc4)o3	11123
+c1ccccc1COc2c(cc(cc2)Oc3ccccc3)C=O	22
+c1cc(ccc1)Cn2c(cc3nc(Cl)ccc23)-c4ncco4	5029
+c1cc(ccc1)Cn2cnc(C(c3cccnc3F)=O)c2	371
+c1cc(ccc1)Cn2c3c(nc(N)nc3cc2)O	11124
+c1ccccc1COc2cncc(c2)Br	483
+c1ccccc1CC(O)C	100
+c1cc(ccc1)CC(c2ccc(cc2)CCCC(=O)OC)O	74
+c1cc(ccc1)CC(C(O)C(=O)O)NC(=O)c2c(nccc2)-c3nc(sc3)-c4ccccc4	3
+c1cc(ccc1COC(C)C(C(Cc2ccccc2)O)Cc3ccccc3)OC	100
+C1CCCCC1CC(C)C(=O)O	2820
+c1cc(ccc1)COC(=O)NC(CO)Cc2ccccc2	21
+c1c(N)c(c(cc1)N)C(NC(Cc2ccccc2)C(O)=O)=O	0
+C1c2cscc2CN1C(CC(C(=O)O)Cc3ccccc3)=O	210
+c1ccccc1CC(C)(C)C=O	24
+c1ccccc1CC(N)(C)CO	21
+c1ccccc1CCCCC(C(O)=O)Cc2ccccc2	4
+c1ccccc1CC(CCCc2c(cccc2)C(=O)OC)N	18
+c1cc(ccc1)CC2N(S(=O)(=O)c3ccccc3OC)Cc4ccccc4C(NC2)=O	14
+c1cnccc1-c2nc(NCC(N)Cc3ccccc3)ccc2	340
+c1ccccc1CCN2c3c4c(cnc3CCC2)cccc4	15
+c1ccccc1CC(NC(c2c(-n3cc4ccccc4n3)nccc2)=O)C(O)C(=O)O	3
+c1cc(ccc1)CC(C(O)CC(CCC(C)(C)F)C(=S)N)NC(=O)c2nc3ccccc3nc2	59
+c1ccccc1CC(C(O)=O)NC(c2c(N)cccc2[N+](=O)[O-])=O	4
+c1ccccc1CC(=O)NC2C(N(Cc3ccc(cc3OC)OC)C2=O)CO	88
+c1ccccc1CC2(N(C(OCc3ccccc3)=O)CCC2)C(O)=O	3
+C1CN(CCC1(C(=O)O)Cc2ccccc2)C(=O)c3ccccc3	3
+c1ccccc1CC2CNCC(=O)N2C	15
+c1cc(ccc1)CC2c3c(OCC2N)ccc(N4CC(C4)NS(=O)(=O)CCC)c3	3488
+c1cc(ccc1)CC2CNCCN2C	15
+c1ccccc1CC=Cc2cccc(N)c2	0
+c1ccccc1CCCc2cc(N)ccc2	374
+c1cc(ccc1)CCn2cnc([N+]([O-])=O)c2	541
+c1ccccc1CCC(C)CC(=O)OCC	774
+c1ccccc1CCC(CC(O)=O)C	3
+c1ccccc1CCCC(C(=O)O)C(O)C	4
+c1ccccc1CCCC(C(=O)O)(C)C(C)=O	4
+c1cc(ccc1)CCCC(C(=O)C)C(=O)NC(C)c2c(nc(nn2)Cc3c4ccccc4ccc3)O	2299
+c1ccccc1CCCC(C(=O)OC)C(C)O	770
+c1cc(ccc1OCCO)CC(C)(CCCc2ccccc2)C(=O)OCC	168
+c1ccccc1CCCC(CCCc2ccccc2)NC(=O)C3CCCCN3	255
+c1ccccc1CCCC(CCCc2ccccc2)NC(=O)C3N(C(C4NCCCC4)=O)CCCC3	255
+c1ccccc1CCCC(CCCc2ccccc2)NC(=O)C3N(C(=O)C4CCCNC4)CCCC3	2
+c1ccccc1CCCC(CCCc2ccccc2)NC(=O)C3CCNCC3	2
+c1ccccc1CCCC(C(=O)C)n2cnc3c(O)nc(nc23)Cc4cc(c(cc4)Cl)OC(F)F	86
+c1ccccc1CCCCC#Cc2ccc(cc2F)CO	217
+c1ccccc1CCCCC#Cc2ccc(C=O)cc2F	39
+c1ccccc1COc2ccc(cc2CO)CN(C(CCCCc3ccccc3)=O)CCc4ccccn4	58
+CC(C)(C(=O)O)CCCCCCc1ccccc1	4
+c1ccccc1CCCCCCC=O	24
+c1ccccc1CCCCOCCC(CCC=C)=O	86
+c1ccccc1CCCCOCCC=O	24
+c1ccccc1CCCNc2nn3c(cc2)ncc3Br	232
+c1ccccc1CCCNc2cccc(Sc3ccc(cc3)CC(O)=O)c2	3
+c1ccccc1CCCOC(NC2C(=O)OC2C)=O	11125
+c1ccccc1CCCOc2c(-n3nnc(c3)C(=O)O)ccc(c2)C(=O)NCC	6
+c1ccccc1CCCc2cn(nn2)-c3sc(C(O)=O)c(C)n3	6
+c1ccccc1S(=O)(=O)N2CCC(CC2)C(=NCCc3ccccc3)c4ccc(cc4)F	1529
+c1ccccc1CCN2C3CCC2CC(C3)=C(c4ccc(cc4)C(O)=O)c5ccccc5	6
+c1ccccc1CCNC=2C(N(C(=C(N=2)Cl)C)CC(=O)O)=O	11126
+c1cc(ccc1)CCNC(=O)C(=O)Nc2cc(F)c(cc2)O	16
+c1cc(ccc1)CCNC(C(Nc2ccc(Oc3ccnc4cc(O)c(OC)cc34)c(F)c2)=O)=O	16
+c1ccccc1CCNC=2C(N(CC(=O)O)C(C)=CN=2)=O	11127
+c1ccccc1CCNc2c(S(=O)(=O)N)cc(cc2N)C(=O)O	0
+c1ccccc1CCNc2ncnc3sc(cc23)C(O)=O	6
+c1ccccc1CCOCCO	21
+c1cc(ccc1)CCOCCC(N(C)CCNCC(O)c2c3SC(=O)Nc3c(OCc4ccccc4)cc2)=O	110
+c1ccccc1CCOCCC(=O)N(CC=O)C	571
+c1ccccc1CCOc2ccc(Cl)cc2CCC(=O)OCC	159
+c1ccccc1CCOc2ccc(cc2CCCO)Cl	44
+c1ccccc1CCOc2c(CCCCO)cc(cc2)Cl	21
+c1ccccc1CCS(=O)(=O)Nc2c(Oc3ccccc3OC)c(nc(-c4ccncc4)n2)Cl	570
+c1cc(ccc1C)-c2c(ncnc2NS(=O)(=O)CCc3ccccc3)Cl	570
+c1ccccc1CCc2cc(Cl)nc3ccc(cc23)C(c4ccc(cc4)Cl)=O	2298
+c1ccccc1CCc2nc(N)cc(c2)C	899
+c1ccccc1CN(Cc2ccccc2)C(C(NCc3ccccc3)=O)COC(F)F	9
+CC(C)CC(C(O)CNCc1ccccc1)NC(OCc2ccccc2)=O	122
+c1cc(ccc1)CNC(=O)C2N(CCC2)C(OCc3ccccc3)=O	9
+c1ccccc1CNC(=O)c2cc3C(O)=C(C(OCC)=O)C(N(OCc4ccccc4)c3nc2)=O	56
+c1cc(ccc1)CNCCCOCCOCCCOc2ccccc2	132
+c1cc(ccc1)CNc2c([N+](=O)[O-])c(Br)nn2CCCO	11128
+c1cc(ccc1)CNCCN2c3c(c(NC)[nH]n3)C(=O)N(CCCC)C2=O	284
+c1cc(ccc1)CNc2ncc(-c3nnn[nH]3)c(N)n2	96
+c1cc(ccc1)CN2C(COC(C)C2CC)=O	467
+C1CN(CCCC1)CCCNC	25
+c1ccccc1CN(C)c2cc(C(O)=O)ncc2	1
+C12CC(=O)N(C)CC1CC(C2)NC	25
+C1CCCC1NCC(C)(F)C(OCC)=O	25
+c1cc(c(cc1)OC)OCCNCC(O)COc2c3c4c(cccc4)[nH]c3ccc2	25
+c1ccccc1CN(Cc2ccccc2)C(C(Oc3ccc(cc3N)F)C4CC4)C(=O)O	0
+FC(F)OCC(C(=O)NCc1ccc(c(F)c1)F)N	5099
+c1cc(ccc1)CNC(C(COC(F)F)N)=O	5099
+c1ccccc1CN(Cc2ccccc2)C(C(O)=O)COC(F)F	4
+COCCOCCOCC(N)C	932
+c1ccccc1CN(Cc2ccccc2)C3CC(c4n5c6c([nH]cc6)ncc5nc4)C(C)C3	4969
+C[Si](C)(C)CCOCn1c2c(n3c(ncc3C4C(C)CC(C4)N)cn2)cc1	932
+CC(C)(C1CCC(CC1)N)O	932
+c1ccccc1CN(Cc2ccccc2)C3COC(C(=O)O)CC3	4
+C1(C(=O)N)OCC(N)CC1	932
+C1CC1CN2CCN(CC2)CC(CN)OC	932
+C1CN(CCN1C)CC(CN)OC	932
+c1ccccc1CN(Cc2ccccc2)CC(OC)CN3CCN(CC3)C	352
+c1ccccc1CN(Cc2ccccc2)CC(OC)CN3CCNCC3	2
+C[Si](C)(C)CCOCOc1ccc(cc1NC=O)C(CN)O	932
+CC(C)(CN1CCC(CC1)CN)OC	932
+c1ccccc1CN(Cc2ccccc2)CCCC=O	578
+c1cc(ccn1)-c2c(nn(c2)CC)-c3c(F)c(N)ccc3F	5065
+c1ccccc1CN(Cc2ccccc2)c3c(F)c(c(cc3)F)C(=O)c4c[nH]c5ncc(-c6cnccc6)cc45	814
+c1ccccc1CN(Cc2ccccc2)c3c4[nH]c(C(=O)OCC)cc4ccn3	4904
+c1cc(ccc1)CN(Cc2ccccc2)c3cccc([N+](=O)[O-])c3C=O	494
+c1ccccc1CN(Cc2ccccc2)c3c4[nH]c(cc4ccn3)CO	194
+c1ccccc1CN(Cc2ccccc2)c3nccc4c3[nH]c(C=O)c4	178
+CC(C)(C)OC(Nc1cc(ccc1)N2c3c(NC2=O)c(ncn3)N)=O	11129
+c1ccccc1CN(Cc2ccccc2)c3nc(C)c(C)c(NCC4(CCCCC4)O)c3N	13
+c1ccccc1CN(Cc2ccccc2)c3nccc4cc([nH]c34)C(O)c5ccccc5	5021
+c1ccccc1CN(Cc2ccccc2)c3c(c(ncn3)Nc4cc(N(C)C(=O)OC(C)(C)C)ccc4C)N	193
+c1ccccc1CN(C)c2c(F)cc([N+](=O)[O-])cc2CCO	21
+c1cc(ccc1)CN2C(=O)CC(C2)c3c4c([nH]c3)ccc5c4C=CCO5	1781
+C12C(CN(C1)Cc3ccccc3)C2(C)c4cc(N)ccc4	15
+c1ccccc1CN2C(C(NC(Cc3ccccc3)C(O)C(=O)O)=O)CCC2=O	3
+c1ccccc1CN2C(N(CC2)c3nc(c(s3)C(O)=O)C)=O	6
+c1ccccc1CN2C(=O)c3c(cccc3)C(=N2)Cc4c(C)n(CC(=O)O)c5ccc(Cl)cc45	4
+c1ccccc1CN2CC(C)(C)CCC2CN	15
+O1C(C)C(C(OCC)=O)NCC1	3165
+c1ccccc1CN2C(C(CC)NCCN(C)C)=NC3=C(CCCN3)C2=O	11130
+c1ccccc1CN2C(=O)C(c3c[nH]c4c3c5c(cc4)OCC=C5)CC2=O	11131
+c1cc(ccc1)CC(C(=O)C(NOCC)=O)NC(=O)C2CCC(=O)N2Cc3ccccc3	1363
+c1ccccc1CN2C(C)=CC(C3=C2N(C)C(=O)N(CCCCC(N)C)C3=O)=O	18
+c1ccccc1CN2C(C)=CC(C3=C2N(C)C(=O)N(CCCCC(O)C)C3=O)=O	59
+c1cc(ccc1)CN2CC(CC(O)C)(OCC2C)C	15
+c1cc(ccc1)CN2C(COCC2)CCO	95
+c1cc(ccc1C2(C(=O)N(Cc3ccccc3)CC2)C)N	1781
+c1ccccc1CC(NC(C2N(C(=O)CC2)Cc3ccccc3)=O)C(=O)C(NCc4ccccn4)=O	1363
+C1CC(CCN1C)N2CCNC(C)C2	25
+c1(OC)cc(cc(OC)c1)N2CC(N(CC2)Cc3ccccc3)CN	15
+O(C)CCC1NCCNC1	25
+c1cc(c(cc1C2C(C(OC)=O)CNC2)Cl)Cl	25
+c1cc(c(cc1C2CNCC2C(C)Oc3ncc(C#N)cc3)Cl)Cl	25
+c1cc(c(cc1C2CNCC2C(C)Oc3ncc(cc3)Cl)Cl)Cl	25
+c1cc(ccc1)CN2CCC(C(C)N)C2	15
+c1cc(ccc1)CN2CC(C3(C2)CCCc4ccccc34)C(O)=O	3
+C1CC1(C2COC(C)(C)CN2)O	25
+c1cc(ccc1)CN2CC(C=C)C(c3cc(c(Cl)cc3)Cl)C2	2800
+c1ccccc1CN2CC(C=O)C(c3cc(c(Cl)cc3)Cl)C2	378
+c1ccccc1CN2CC(C(C2)N)c3cc(c(cc3)Cl)F	157
+C1CC12CNC(CO)C2	25
+C12=C(CCNC1)c3c(cc(OC)cc3)OC2=O	5066
+c1ccccc1CN2CC3C(c4c(C3C2)cc(cc4)OC)O	74
+C1NCC2CCC(C12)=O	25
+c1cc(ccc1)CN2CC3C(C2)CCC3O	100
+c1ccccc1CN2CC3c4c(ccc(c4)OC)CC3C2	414
+c1ccccc1CN2C(=O)C3C(C)(c4cccc(N)c4)C3C2	0
+c1ccccc1CN2CC3C(CCC3C2)=O	11132
+C12CCC(CNC1)N2C	25
+c1ccccc1CN2CC3CCC(C2)N3C	15
+c1cc(ccc1)CN2CCC(CC2(C)C)O	100
+c1cc(ccc1)CN2CCC(CC2)Nc3c(-c4nc5cc(OC)cc(OC)c5c(O)n4)nccc3	2849
+c1ccccc1CN2CCC(CC2)N(CCCCOCCO)C(C)C	15
+C1CNCCC1N(CC(=O)OCC)C	25
+C1CNCCC1N2C(=O)Nc3c(F)cccc3C2	25
+c1ccccc1CN2CCC(CC2)N3C(=O)C=Cc4c3cc(N)cc4	106
+C1CC(CCN1)NC(c2cncc(c2)C)=O	25
+c1ccccc1CN2CCC(CC2)Nc3ncccc3N	13
+C1CN(CCC1Nc2c(N)ccc(Cl)c2)Cc3ccccc3	0
+c1cnccc1-c2ncccc2OC3CCN(CC3)Cc4ccccc4	1299
+C1CNCCC1c2cc(c(cc2)Cl)C#N	25
+c1ccccc1CN2CCC(CC2)c3cc(c(Cl)cc3)C#N	274
+C1CC(CCN1)c2n(C)nnn2	25
+C1CNCCC1n2c3c(cccn3)nc2	25
+FC1(F)CNCCC1O	25
+c1cc(ccc1)CN2CCC=C(c3cccc(c3)OC)C2	252
+c1ccccc1CN2C(CCC=O)CCCC2	24
+C1CN(CCN1)Cc2nc(OCCCN(C)C)c3c(cccc3)n2	25
+c1ccccc1CN2C(CN)CN(c3ccccc3)CC2	15
+c1ccccc1CN2CCNC(C2)COCCCCCCCCCCCC	25
+c1ccccc1CN2CCN(CC2=O)c3ncc(cc3)N	13
+c1cc(ccc1)CN2C(C)(C)CNCC2	15
+N1CC(NCC1)COCCCCCCCCCCCC	25
+N1Cc2c(c3cc(C#N)ccc3nc2CC1)Cl	25
+c1n(c2c(CNCC2)n1)-c3ncccc3	25
+c1cc(ccc1)OCc2cc3n(n2)CCNC3	25
+C(C)OC(c1n[nH]c2CNCc12)=O	25
+N1Cc2c(ncnc2CC1)O	25
+c1nc(Nc2cc(c(cc2)C)-c3cc4ccccc4cn3)c5CCNCc5c1	25
+c1ccccc1CN2CCn3cc(C=O)nc3C2	11133
+N1Cc2c(CC1)c(O)nc(C)n2	25
+c12cc(nnc1CNCC2)Cl	25
+c1ccccc1C2=NN(C(C=C2C(C)N)=O)Cc3ccccc3	1426
+c1cc(ccc1)CN2N=C(c3ccccc3)C(=CC2=O)C(=O)C	11134
+c1ccccc1CN2CCCc3c2cc(Cc4c(C(C)C)ccc(Br)c4)cc3	452
+c1ccccc1CN2c3c(O)ccc(CC4SC(NC4=O)=O)c3CCC2=O	534
+c1cc2c(cc1)C(c3ccccc3O2)(CNCc4ccccc4)C	15
+c1ccccc1CNCCc2c3c(ccc(F)c3OCC)n(c2)C	15
+c1cc(ccc1-n2c(CO)c(c(C(=O)NCc3ccccc3)n2)C(C)C)F	453
+c1ccccc1CNC(c2cc3c(N(C(C(C(OCC)=O)=C3O)=O)O)nc2)=O	1697
+C(C(CC(OCC)=O)N)c1cc(ccc1F)F	273
+c1ccccc1CNC(c2cc(ccc2)-c3ccc(cc3)CC4SC(=O)NC4=O)=O	534
+c1ccccc1CNC(=O)c2sc(N3C(C=C(C=C3)C(=O)Nc4ccccc4)=O)nc2C	11135
+c1ccccc1CNC(c2c(C)nc(s2)N3CCCCC3=O)=O	11136
+c1ccccc1CNC(c2c(C)nc(N3CCCC3=O)s2)=O	11137
+c1ccccc1CNC2(CC2)c3ccc(cc3)C#Cc4ccc(cc4)C(=O)O	6
+c1ccccc1CNC2C(C)CC(CO)CC2	44
+C1C(C)C(CCN1C(=O)OC)N	273
+C1CC(CCC1O)CN	273
+c1(c(NC)nc(c(c1)F)N)F	4062
+CC1(C)C(c2c(O1)c(c(c(N)c2C)C)C)c3ccc(cc3)C	1197
+c1ccccc1CNc2c(cnc(c2)Nc3ccncc3)CC(N)=O	201
+c1cc(ccc1)S(=O)(=O)N(c2cccc(c2)N3C(NCC3)=O)Cc4ccccc4	416
+c1ccccc1CNc2ncc(cc2)N	13
+c1cc(ccc1C(C(C)C)C(=O)O)N=[N+]=[N-]	210
+C1C(OC)CNC(C(=O)O)C1C(OC)=O	210
+c1cc(ccc1)CN2C(C(OCc3ccccc3)=O)C(OCC2)C	15
+N1(CCOC(C(=O)O)C1)C(=O)C	210
+C(=O)(O)C=Cc1ccc(nc1)N	2882
+CN(C)CC(NC(=O)CCCCCCCOCc1cc(F)c(cc1)F)CC(=O)O	210
+c1cc(ccc1)COc2cccc(c2)CCC(O)=O	210
+c1ccccc1COC(=O)N2CCC(CC2C#N)c3ncc4c(Cl)nccn34	856
+c1ccccc1COC(=O)N2C(C#N)CC(C(=O)NCc3nccnc3Cl)CC2	9
+c1ccccc1COC(=O)N2C(CC(CC2)C(OCC)=O)C#N	143
+c1ccccc1COC(N2CC(OC3CC3)CC2C(O)=O)=O	4
+c1ccccc1COC(=O)N2Cc3c(CC2C#N)c4c([nH]3)cccc4	143
+c1ccccc1COC(=O)N2C(C#N)CC(CC2)C(=O)O	3
+n1c(NC(=O)c2ccc(-c3c4c(N)nccn4c(C5NCCC5)n3)cc2F)cccc1	62
+c1ccccc1COC(=O)N2C(C)CCC(C(O)C2)N	18
+c1ccccc1COC(=O)N2C(C)CCC(N)C2	18
+c1cc(ccc1F)-n2ncc3c(cncc23)C(=O)NC(CC)C4CC(NCC4)C(=O)N	679
+N1CC(CCC1)C(Nc2nc(-n3cnc4ccccc34)ccn2)C	62
+C(O)CNC(=O)C1CCCN1	679
+c1ccccc1COC(N2C(c3nc4cccc(c4o3)C(OC)=O)CCC2)=O	2037
+c1cc(ccc1Cl)Cc2c(C)noc2C3CCCN3	62
+N1Cc2c(CC1)oc(-c3ncccc3)n2	62
+C1COCCN1CC2Cc3ccccc3CN2C(=O)OCc4ccccc4	15
+c1ccccc1COC(=O)NC(C(NCCCCC=O)=O)CCSC(=O)C	24
+CC(C)C(N)C(=O)Nc1c(c(C)ccc1)C(O)=O	334
+N(C(=O)c1ccccc1O)C(C)C(N)C	102
+c1ccccc1COC(=O)NC(C(=O)NCCCCC=O)CCS	1113
+c1c(C)c2n[nH]cc2cc1CC(N)C(OC)=O	1388
+C1CCCCC1CC(N)C(=O)NCCO	334
+c1ccccc1CC(C(O)=O)NC(OCc2ccccc2)=O	4
+c1cc(ccc1)COc2c(C)cc(c(C=C(C(=O)OC)NC(OCc3ccccc3)=O)c2)Br	11138
+c1cc(ccc1)C(CN2CC(OCCOCCOCCOCCOCCOC)CC2)NC	3172
+O=S(=O)(CC1C(CCC(C1)N(C(C)C)C)N2CCC(N)C2=O)C(C)C	334
+c1ccccc1COC(=O)NC2CCC(CN)(C)C2(C)C	51
+CC1(C)C(C)(C(=O)OC)CCC1N	102
+c1ccccc1COC(=O)NC2C(N(C(=C(C)C)C(OC)=O)C2=O)CCO	237
+C1(OC)CN(CCC1N)c2oc(c(C)n2)C(OCC)=O	102
+c1ccccc1COC(NC2CCCC(c3[nH]c4c(-c5ccccc5N(C4=O)C)n3)C2)=O	11139
+C(C)OC(=O)N1C(CC)CC(N)c2c1ccc(OC)n2	102
+C1CC(CCC1NC)O	3172
+c1ccccc1COC(=O)NC2CCC(CC2(C)C)=O	97
+CC(C)N(C1CC(C(N2CCC(C2=O)N)CC1)CCC)C	334
+C(COC1CN(CCC1N)c2cccc(c2)C(=O)OC)C	102
+c1ccccc1COC(=O)NC2CNC3Cc4c[nH]c5cccc(C3C2)c45	2436
+C1CC1C2N(c3ccc(-c4cn(nc4)CCOC)cc3C(N)C2C)C(C)=O	102
+c1ccccc1COC(=O)NCC2CC(N3c4c(ccnc4)-c5noc(C)c5C3=O)CCC2	11140
+c1ccccc1COC(=O)NCCc2oc(cn2)CC	11141
+C1(NNC(=O)N1CCCCNC(=O)OCc2ccccc2)=O	11142
+c1ccccc1COC(=O)NCCCNc2c(N)c(nc3ccccc23)Cl	13
+C1(=O)n2c(nnc2N(CCCCC)c3[nH]cnc13)CCN	102
+CC(C)c1oc(CCN)nc1	102
+o1c(CCN)ncc1CC	102
+n1c2CCOCc2c(O)nc1CN	102
+O=S(=O)(NC1CCC(CC1)C)N	5100
+Nc1cccc2c1[nH]cc2C3(CC)c4ccc(cc4CC3)F	5101
+c1ccccc1COC(=O)Nc2ccc(C(O)=O)cc2Cl	1
+c1ccccc1COC(=O)Nc2ccc(Oc3cc(C(O)=O)ncc3)c(F)c2	1
+c1ccccc1COC(=O)Nc2c(cc(cc2)N)O	0
+c1cc(ccc1C=2CCN(C(OCc3ccccc3)=O)CC=2)NC(=O)OCc4ccccc4	252
+c1ccccc1COC(=O)Nc2ccc3c(NC(=O)C(C3)C(O)=O)c2	3
+C(C)OC(=O)c1cc2[nH]c(nc2cc1)-c3n[nH]c(C)c3C(=O)O	426
+c1ccccc1COC(c2c(C(=O)c3cc(c(cc3)N)N)cccc2)=O	0
+c1(C(=O)O)cc2cc[nH]c2nc1	426
+C1CCCCC1Nc2cc(C(O)=O)ccc2C(N)=O	426
+c1cc(ccc1O)C(O)C(C)NCCOc2c(C)cc(cc2C)-c3ccc(cc3)C(O)=O	426
+c1ccccc1COC(=O)c2ccc(C(NC(C)C=O)=O)cc2C	24
+O=C(n1cc(c2ccccc12)C(=O)O)N	426
+CC1(C)C(C(O)=O)CC1NC(=O)C	210
+C(CCCC(=O)N1CCCC1C(O)=O)CCC	210
+CC(C)(c1cc(ccc1OC(CC)=O)P(CP(OCC)(OCC)=O)(OCC)=O)CC(=O)O	210
+c1cc(ccc1-c2ccc(cc2)-c3onc(C)c3CC(O)=O)C4(CC4)C(=O)OCC	210
+c1cc(ccc1)S(=O)(=O)c2ccc3c(CNC(=O)CNC)cccc3c2	679
+c1(cc2ccccc2n1CC)CNC	62
+c1ccccc1COC(N(CC(N(c2ccc(cc2)CO)C)=O)C)=O	98
+C1CC(CCC1CCO)CNC	62
+CN(C)C1CC(C(OC)=O)NC1	5102
+C1COC2(O1)CCNC(C(OC)=O)C2	5102
+c1ccccc1COC(=O)N2C(CC(CC2)(CO)N)C	95
+c1ccccc1COC(N2C(C)CCC(O)C2)=O	2118
+O=S(=O)(C)OC1CNC(COCCO)C1	62
+n1ccc(cc1NC2CCC(NC2)C)C#N	62
+c12cccc(C(=O)N)c1oc(n2)C3NCCC3	62
+c1(OC)n(c2nc(nc(N)c2n1)OCCCC)CCCC3NCCCC3	62
+n1[nH]c(C2Cc3c4ccccc4[nH]c3CN2)nn1	62
+c1cc(ccc1-c2c3c(N)nccn3c(C4NCCC4)n2)C(=O)Nc5nccc(C)c5	62
+c1cc(ccc1-c2c3c(N)nccn3c(C4NCCC4)n2)C(Nc5nccc(CC)c5)=O	62
+c1ccccc1COC(N2CC3C(=O)CC2C3)=O	86
+c1ccccc1COC(=O)N2Cc3c(oc(-c4ccccn4)n3)CC2	5103
+c1ccccc1COC(N2Cc3oc(-c4ccccn4)nc3CCC2)=O	5103
+C1CC1OC2CC(N(C2)C(=O)OCc3ccccc3)CO	21
+c1cc(ccc1)COC(=O)N2C3C(C(c4ccccc4)(CC2)O)CCCC3	1035
+c1ccccc1COC(N2CC(C(CC2)=O)NC(c3ncccc3)=O)=O	86
+O=S(=O)(c1cccc2ccccc12)c3n[nH]c4ccc(OC5CCNC5)cc34	62
+c1ccccc1COC(N2CCC34CCCCC3C2Cc5c4cc(c(N)c5)OC)=O	0
+c1ccccc1COC(=O)N2C(C(CCC2)C)CO	21
+c1c(c(-c2cc(NC(C3CNCCC3)=O)ncn2)ccc1)OC	62
+CC(C)CC(NC(c1cc2c(cccc2)o1)=O)C(NC3C(O)CNCCC3)=O	62
+c1ccccc1COC(N2CC(C(CCC2)NC(c3ncccc3)=O)=O)=O	86
+c1ccccc1CC2(C(=O)NC(C(OC)=O)C(C)OC(=O)C)NCCC2	679
+c1ccccc1COC(=O)N2C3(CN(CC(O)=O)C3=O)CCC2	3
+c1ccccc1COC(N2CCN(Cc3cccc(-c4cc(ccc4F)CN)c3)CC2C)=O	107
+C1C2C(Cc3c(cccc13)OC)N(C)CCO2	3172
+c1ccccc1COC(N2c3c(CCCC2)cc(N4CC(CN)OC4=O)cc3)=O	18
+c1ccccc1COC(=O)NC(c2ccccc2)CN3CC(CC3)OCCOCCOCCOCCOCCOC	15
+c1ccccc1COC(=O)NC(C(OC)=O)Cc2cc(c3n[nH]cc3c2)C	11143
+NC(C(OC)=O)CNC(C)=O	1388
+c1ccccc1COC(NC(COCC=C)C(=O)O)=O	4
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)OC2CCC(CC2)C(O)=O	2167
+CC(C)CC(C(NC)=O)N	334
+c1ccccc1COC(NC(CO)Cc2c(ccc(c2)Br)OC)=O	21
+c1c2c([nH]cc2CC(C(=O)OC)NC(CCC(C(OCC)=O)N)=O)ccc1	1388
+CC(C)(NC(=O)OCc1ccccc1)CCO	88
+c1ccccc1COC(NC(C)C(N)=O)=O	5047
+c1ccccc1COC(=O)NC(CC#C)C(=O)NC(C(=O)O)CC(C)C	4
+C1OC(NC1Cc2cc(ccc2OC)Br)=O	11144
+c1ccccc1COC(NC(COC)CO)=O	95
+c1ccccc1COC(NC(C(O)=O)Cc2cc(Br)ccc2OC)=O	4
+c1c(OC)ccc2c1n(nc2)CC(C)N	102
+c1ccccc1COC(=O)NC(Cn2ncc3c2c4C=CCOc4cc3)C	11145
+c1ccccc1COC(NC(Cn2c3c4cc(C(=O)O)oc4ccc3cn2)C)=O	426
+C(C)OC(=O)C12CCCC(C1)(N)CC2	102
+CC(C)N(C1CCC(N2C(C(N)CC2)=O)C(C(CC)O)C1)C	334
+C1C(C(OC)=O)C(N)CC1	102
+c1ccccc1COC(NC2CCN(CC2F)c3ccc(F)cc3N)=O	0
+COC1CN(CCC1N)c2cc(OC)cc(c2)C(=O)OC	102
+C1C2(CS1(=O)=O)CC(C2)N	102
+[nH]1c2cccc3c2c(CC4N(CC(N)CC34)CCC)c1	102
+C1CC(CCC1N)c2nc(c(-c3cc4OCOc4cc3)[nH]2)-c5nc(ccc5)C	102
+CC1(C)C(CCC(N2CCN(CC2)C)C1)N	102
+CCCCOC(=O)N1CC(CC1)N	102
+CC(C)N(C1CC(C(N2CCC(C2=O)N)CC1)NC(C)=O)C	334
+c1cc(ccc1Cl)CC2N3C(N(S(=O)(=O)c4c(cc(cc4)Cl)Cl)CC(N)C3=O)CN(C2=O)C(C)C	334
+c1(cccc(c1)C(=O)OC)N2CC(C2=O)N	334
+C1C(NC(c2nc(Cl)c(CC)[nH]2)=O)C(N)CN(C1)c3nc(C)c(C(=O)OCC)s3	102
+C1CN(CCO1)c2ccc3c(c2)C(C(C(C4CC4)N3C(C)=O)C)N	102
+c1cccc2CCC(c3nccn3-c12)N	102
+c1cc(ccc1OCCCN2CCCC2C)-c3sc4CCC(c4n3)N	102
+C(CN1CC(CCC1)CN)N2c3nc(OC)ccc3N=CC2=O	102
+C(N1C(=O)C=Cc2ncc(OC)cc12)CN3CC(CCC3)CN	102
+c1ccccc1COC(=O)NCCC(NCC(=O)CC)=O	86
+c1cc(ccc1)COC(NCCCCCCCCNCC=C)=O	15
+c1ccccc1COC(NCCCCN(Cc2ccc(cc2)CN(Cc3n(C)ccn3)Cc4[nH]ccn4)C)=O	566
+c1cc(ccc1CN(Cc2n(C)ccn2)Cc3[nH]ccn3)CN(CCCCN)C	102
+c12ccccc1c(ccc2OCC(O)CO)CCCCN	102
+c1cc(ccc1OCC(Nc2ccccc2)=O)CCCCN	102
+n1c(C)cc(CCCN)n1CC	102
+O=S(=O)(N)NCCCCC	5100
+C(OC(=O)Nc1cc(c(N)cc1)O)C	890
+CC(C)c1ccc(cc1C)NC(c2cc(-c3cc(c(nc3)O)N)ccn2)=O	5101
+c1ccccc1COC(Nc2cc(cnc2O)-c3ccnc(c3)C(=O)Nc4cc(C)c(cc4)C(C)C)=O	104
+c12ccc(OCCOC)cc1[nH]c3c(ncc(-c4cccc(N)c4C)c23)C(=O)N	890
+c1ccccc1COC(Nc2cccc(c2C)-c3c4c([nH]c5c4ccc(c5)OCCOC)c(nc3)C(O)=O)=O	6
+n1c(ccc(c1)CCCC)N	5104
+n1c(N)cc(n1C)C(=O)OC	5104
+c1ccccc1COC(c2c(cc(C(O)=O)cc2)C)=O	1
+c1ccccc1COC(c2cc(ccc2OC)CO)=O	41
+c1ccccc1COc2ccc(cc2C(=O)O)Cl	426
+c1ccccc1COC(=O)c2ccc(cc2)N	0
+C1CC2(CCN1C(=O)c3cc(OC)c4cccc(OC)c4n3)Oc5c(C(=O)C2)cc(cc5)C(=O)O	426
+c1ccccc1COC(n2c(nc3cc(c(Cl)cc23)Cl)-c4cc(c(cc4)OC)N)=O	0
+C(=O)(OCC)C(C(=O)OCC)Oc1c2c(ccc1)[nH]cc2	11146
+O=S(=O)(NCC=1OC(=C(OCc2ccccc2)C(C=1)=O)C(O)=O)c3cc(C)ccc3	4970
+c1ccccc1S(=O)(=O)NCC=2OC=C(C(C=2)=O)OCc3ccccc3	2422
+c1ccccc1COC2=COC(=CC2=O)CN	1426
+O=S(=O)(NCC1=CC(=O)C(=CO1)O)c2cc(C)ccc2	2306
+CC1(C)Cc2n(nc(c2C(C1)=O)CC)-c3ccc(C(=O)N)c(NC4C(O)CCCC4)c3	118
+C1C(CC1S(=O)(=O)NC=2C(=C(C(=O)N3CCSC=23)C)Nc4ccc(I)cc4F)O	118
+c1c(F)c(c(cc1-c2ccc(cc2)S(=O)(=O)C)F)OC3CCCC(O)C3	118
+O=S(=O)(c1ccccc1Cl)NCC=2OC(C=O)=C(OCc3ccccc3)C(=O)C=2	3124
+O=S(=O)(NCC1=CC(C(=C(C(O)=O)N1C)O)=O)c2cccc(C)c2	4957
+c1ccccc1COCC(C)(C)C(N(c2ccccc2)CC(O)=O)=O	3
+c1cc(ccc1)COCC2n3c(COC2)nc4cnc5ccccc5c34	2130
+NC(c1c(N)c2c(nc(nc2s1)CC(CO)C)-c3ccc(c(c3)Cl)Cl)=O	118
+c1ccccc1COCC(CCC=O)OS(=O)(=O)C	24
+c1ccccc1COCC2OCCCC2S	1113
+S(C1C(CO)OCCC1)CCCCCCCCCCCCCCCC	118
+c1cc(ccc1)COCC(CCCO)O	95
+C1OC(CC2CSC(NC12c3c(cccc3)F)=N)CO	11147
+c1ccccc1COCCC(CC=C)CO	44
+O1CCOC1C(CCC=O)CCOCc2ccccc2	24
+c1ccccc1COCCC2CCC=C(C2)CO	2569
+c1ccccc1COCCC2CCC(CC2)=O	97
+c1ccccc1COCCC2CC(COC)=CCC2	4122
+c1ccccc1COCCCCc2ccc3ncn(-c4sc(C(=O)OCC)c(n4)-c5cccc(Cl)c5)c3c2	374
+c1ccccc1COCCCCNCCC	15
+c1ccccc1COCCCC(C)(C)COS(=O)(=O)CCCN	18
+O=S(=O)(CCCNC(C)=O)OCC(C)(C)CCCO	118
+CC(C)Cc1sc(-c2onc(C(CC(Nc3c(Cl)cc(cc3)C)=O)CCCO)c2C4CC4)cn1	118
+O=S(=O)(NC=1C(Nc2c(F)cc(I)cc2)=C(C(N3CCOC=13)=O)C)C4(CC4)CCCO	118
+C1COC2(O1)COC(CCC2)(CCCCO)C	118
+c1ccccc1COCCCCCCCCCCCS	1113
+c1ccccc1COCCCCN(C(=O)c2cc(C(O)=O)cc(C)c2)CCC	6
+Clc1cccc(c1)-c2nc(-n3cnc4c3cc(cc4)CCCCO)sc2C(=O)OCC	118
+C(C)OC(C1(Oc2cc(ccc2CC1)OCCCO)CC)=O	118
+c1cc(ccc1CO)CCCOCc2ccccc2	41
+n1[nH]c2c(C(N(C(=O)N2CCO)CCCC)=O)c1NC	118
+CCOC(=O)CCCCCOCCOCCOCCOCCOCCOCCO	118
+O(CCOCCOCCOCCOCCOCCO)CCOCCOCCOC	118
+c1cc(ccc1-c2c(nc(N)nc2COCc3ccccc3)N)N	0
+c1ccccc1COCc2nc(c(cn2)C(=O)O)O	6
+c1ccccc1COCc2ncc(N)c(O)n2	193
+c1ccccc1COCn2c3c(nc(nc3N)CCCC)c(c2C)CCCCO	2065
+c1ccccc1COCn2c(c(CCCC=O)c3nc(nc(N)c23)CCCC)C	24
+c1cc(ccc1)OC(=O)NOCc2ccccc2	11148
+CCOP(OCC)(=O)C(CC(O)C(O)C(CN(C=O)O)O)O	2618
+c1ccccc1CON2C(C=C(c3cncnc23)O)=O	11149
+C1CCCN1c2cc3c(C(=O)N(O)C(=O)N3c4ccc(cc4F)F)cc2F	2650
+C1CCN(C1)c2nc3N(c4c(F)cc(cc4)F)C(N(O)C(=O)c3cc2F)=O	2650
+c1ccccc1CON2C(=O)c3c(cc(F)c(c3)F)N(c4c(cc(cc4)F)F)C2=O	11150
+c1ccccc1COc2ccccc2-c3c(-c4c(ccc(Cl)c4)C(OCC)=O)cccc3	562
+c1c(ccc(c1F)NC(Nc2nccs2)=O)Oc3c4cc(C#N)c(O)cc4ncc3	16
+c1ccccc1OC(=O)Nc2c(cc(Oc3c4cc(c(cc4ncc3)OCc5ccccc5)C#N)cc2)F	90
+c1ccccc1COc2cc(ccc2C#N)-n3nccc3	926
+c1ccccc1COc2cccnc2CN	421
+c1([N+]([O-])=O)ccc(C(=O)NC(C(C)O)C(=O)NCC)c(c1)O	16
+c1ccccc1COc2c(ccc([N+]([O-])=O)c2)C(NC(C(=O)O)C(O)C)=O	4
+c1ccccc1COc2ccc(cc2C(=O)O)C=C	1
+c1ccccc1COc2ccsc2C(O)=O	1
+c1ccccc1COc2c(C(=O)O)cc3c(ccc(OCc4ccccc4)c3)c2	426
+c1ccccc1CNc2nc(c(O)c(C)c2C)C	321
+c1cc(ccc1)C(Oc2cc(c(O)c(c2)C)CC)=O	16
+Cc1c(ccc(Oc2cc(C(=O)O)ccc2)c1)O	16
+c1ccccc1COc2cc(ccc2C)C=O	39
+c1ccccc1COc2c(C=CC(O)CC(O)CC(=O)O)c(Cl)cc(c2)Cl	4
+c1ccccc1COc2c(ccc(C(C)C)c2)CC[N+]([O-])=O	364
+Oc1c(CNC(NCCO)=O)cccc1	16
+c1cc(ccc1)COc2c(cccc2C)C=O	39
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c(C#N)cnc4c3cc(N)c(OCC)c4	106
+c1cc(ccc1)COc2ccc(-n3ccc4c(c(cc(c34)Br)F)OCc5ccccc5)cc2F	1194
+c1ccccc1COc2c(cc(c(F)c2)N)F	0
+c1cc(ccc1)COc2c(N)cc3ccccc3c2	106
+c1ccccc1COc2c(OC)cc3c(oc(c3)C(=O)OCC)c2	5043
+c1(oc2cc(c(cc2c1)OC)O)C(=O)OCC	16
+c1ccccc1COc2cc(ccc2OC)CC(CC)[N+](=O)[O-]	3150
+c1ccccc1COc2cccc(C)c2N	0
+c1ccccc1COc2c3nc(n(CC)c3ccc2)C	2739
+c1ccccc1COc2ccc(cc2N)OCC#N	0
+c1ccccc1COc2ccc(cc2[N+]([O-])=O)CO	41
+CC(C)Oc1c(c2C(=O)N(CCc2cn1)Cc3c(nc(cc3C)C)O)Cl	700
+c1ccccc1COc2c(C=CC(CC(O)CC(OC)=O)O)c(Cl)cc(c2)Cl	770
+C1Cc2c(C1=O)c(c(O)c(c2)O)[N+]([O-])=O	16
+c1ccccc1COc2cc(cc(N)c2O)-c3ccc(cn3)C=C4SC(=O)NC4=O	0
+c1ccccc1COc2cc(Br)cc3c2n(CCOC)c(n3)C	2739
+CC(C)c1nc(oc1OCC)-c2c(Cl)cccc2O	16
+c1ccccc1COc2c(N)c(ncc2)N	13
+CN(C)c1c2c(ccc1O)C3CCC4(C(CCC4=O)C3CC2)C	16
+c1(cc(c(O)c(c1)F)OC)C(=O)O	16
+c1ccccc1COc2ccc(cc2C(O)(Cn3cncc3)C)Cl	2930
+c1ccccc1COc2ccc(F)cc2N	0
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(cc3o2)N(S(=O)(=O)C)c4cc(c(O)cc4)F)C5CC5	16
+Fc1c(cc(F)c(c1)N)O	16
+c1cc(ccc1)COc2cc(c(Br)cc2C(O)=O)OCc3ccccc3	1
+c1ccccc1COc2cc(c(cc2OC)Br)N	0
+c1ccccc1COc2c(C(=O)OC)cc(C=C)cc2	2864
+c1c(C)c(ccc1CC(N)=O)O	16
+c1cc(ccc1)COc2ccc(c(OCC(c3ccccc3)O)c2)OCc4ccccc4	74
+c1ccccc1COc2ccc(N)cc2CO	0
+Fc1cc(cc(F)c1OCc2ccccc2)N	0
+CC(C)(COC)C1N2C(=CC(C(C(OCC)=O)=C2)=O)c3cc(c(cc3C1)O)OC	16
+c1ccccc1COc2cc3CC(N4C=C(C(=O)C=C4c3cc2OC)C(=O)OCC)CC	2746
+c1ccccc1COc2c(cc3c(nccc3Oc4ccc(cc4)N)c2)C#N	0
+c1c(cc(c(Nc2c3c(cc(c(OC)c3)O)ncn2)c1)F)Br	16
+Clc1cc(c(Nc2c3c(cc(c(OC)c3)O)ncn2)cc1)F	16
+c1ccccc1COc2cc3c(cc2OC)nc(O)c(c3)C(=O)O	1
+Cc1ccccc1-c2ccc(C(OC)=O)nc2-c3ccc(c(c3)O)Cl	16
+c1ccccc1COc2cc(C(=O)NCC)ccc2N	0
+c1ccccc1COc2c(CCN)ccc(C(C)C)c2	157
+c1ccccc1COc2c(I)ccc(c2)CO	49
+c1ccccc1COc2c(ccc(C=O)c2Cl)O	5
+C(OC(CCc1ccc(OCCOC)cc1O)=O)C	16
+c1ccccc1COc2cc(ccc2CCC(=O)OCC)OCOC	159
+c1cccc(c1O)-c2cocn2	16
+c1ccccc1COc2c(CN)cccc2	162
+c1c(CC(OC)=O)c(c(cc1)C#N)O	16
+c1ccccc1COc2cc(cc(CO)c2O)F	2937
+c1(O)c(ccc2c1cc(C(=O)OC)[nH]2)OC	16
+C(C)OC(c1cc2c(cc(C)cc2O)[nH]1)=O	16
+c1cc(ccc1)COc2ccc(-n3ncc4c(OCc5ccccc5)cccc34)cc2F	1708
+c12ccc(cc1c(cc(CC(OC)=O)c2)O)F	16
+Clc1cc(O)c2cc(oc2c1)-c3nc4sc(OC)nn4c3	16
+n1c(cn2nc(C(C)F)sc12)-c3cc4c(cc(OC)cc4O)o3	16
+c1c2cc(OC)ccc2[nH]c1C(=O)N3c4c(C(CCl)C3)c5cccnc5c(O)c4	321
+n1c(cn2nc(sc12)OC)-c3cc4c(cccc4O)o3	16
+c1cc(ccc1)COc2cc(c(c3ccccc23)CCOC(C)=O)N	0
+CN(C)C(=O)c1cc2nc(C)n(CCOC)c2c(O)c1	321
+n1(c2c(cc(cc2nc1C)C(=O)OC)O)CCOC	321
+Cc1nc2c(cc(C)cn2c1C(=O)OCC)O	11151
+c1c2ncc(n2ccc1OCCOC)-c3nc4c(cc3)cccc4O	321
+c1c(cccc1-c2cc(O)c3nc(cc(O)c3c2)C(OC)=O)C	321
+c12c(cccc1n(c(C)n2)CC)O	321
+C1CCC(C1)S(=O)(=O)c2cc(c(O)c3c2cccn3)Cl	321
+c1ccccc1COc2cc(c(OC(C)C)cc2)-c3nc4c([nH]3)cc(cn4)C=O	200
+c1ccccc1COc2cc(-c3c4c(N)ncnc4n(c3)C5CC(C5)C(O)=O)ccc2	4
+c1c(OC)c(cc(-c2c3c(n(c2)-c4cc(ccc4)OCCn5ccnc5)ncnc3N)c1)O	16
+c1ccccc1COc2cc(-c3cn(c4ncnc(N)c34)-c5cccc(OCCn6cncc6)c5)ccc2OC	871
+c1ccccc1COc2cc(-c3[nH]c4ncc(CO)cc4n3)c(cc2)OC(C)C	351
+c1ccccc1COc2cc(c(N)cc2OC)C#N	0
+c1ccccc1COc2cc(C(=O)c3ncc(C)s3)c(OC)cc2	11152
+c1ccccc1COc2ccc(c(C)c2)CC(C(=O)OC)OCC	3168
+c1cc(ccc1)COc2cc(c(C=C(OCC)C(OCC)=O)cc2)C	11153
+c1ccccc1COc2cc(C=O)c(N)cc2OC	0
+c1ccccc1COc2cc3CC(CC)N=Cc3cc2OC	2742
+c1cc(ccc1)COc2cc(c3cc(C(OCC)=O)[nH]c3c2)Cl	4592
+c1ccccc1COc2cc(Cl)cn3ncc(CO)c23	11154
+c1ccccc1COc2c(N)ccc(I)c2	0
+c1ccccc1COc2cc(N3c4c(C5(CC5)C3)c(C)nc(n4)-c6ccc(OC)c(c6)F)ccc2	15
+C1CC12c3c(C)nc(-c4ccc(OC)c(c4)F)nc3N(C2)c5cccc(O)c5	16
+c1(ccc(C)n1-c2cccc(n2)-c3cc(CC)c(cc3OC)O)C	16
+c1ccccc1COc2c(ccc(c2)OCCOC)CCC(=O)OCC	159
+c1ccccc1COc2cc3onc(N)c3cc2	11155
+Cc1cc(cc(C)c1Oc2ccc(OC)c(O)c2)[N+]([O-])=O	16
+c1ccccc1COc2c(cc(C(=O)C)c(c2)N)OC	0
+c1ccccc1COc2cc([N+]([O-])=O)c(c3ccccc23)CCO	44
+c1ccccc1COc2cc(ccc2NC(C)=O)N	0
+c1c(ccc(CC(OCC)C(OC)=O)c1CC)O	16
+c1c(F)c(c(cc1)F)C(Nc2nn(cc2)Cc3c(cc(O)cc3)Cl)=O	16
+c1(ccc(C)n1-c2cccc(-c3ccc(cc3C4CC4)O)n2)C	16
+CC(C)(C(OC)=O)Oc1c(C)cc(cc1)O	16
+c12c(Oc3cc(O)cc(OC)c3C1=O)cccc2	16
+c1ccccc1COc2cc(CO)cc(F)c2OC	98
+c1ccccc1COc2cc(cc3c2C(OB3O)CC(OCC)=O)O	805
+C(OC(=O)CC1c2c(B(O1)O)cc(Oc3cnccn3)cc2O)C	16
+Cc1cc2c(cc(C(=O)N)[nH]2)c(c1)O	16
+c1ccccc1COc2cc(cc3B(OC(CC(OCC)=O)c23)O)Oc4nccnc4	842
+c1ccccc1COc2cc(ccc2)-c3c(cc(cc3)Cl)N	0
+c1ccccc1COc2cccc(-c3cc(CCCO)ccc3)c2	21
+c1nc(ncc1Br)Nc2cccc(OCc3ccccc3)c2	55
+N=C(Nc1cccc(c1)O)N	16
+c1cc(-n2nccc2)cc(c1C#N)O	16
+c1ccccc1COc2cc([N+]([O-])=O)ccc2C(=O)O	1
+c1(cccc(c1)C(=O)N)N2C(CC(c3c(cc(OC)cc3)O)C2)=O	16
+C(OC(CCc1ccc(cc1O)OCOC)=O)C	16
+c1ccccc1COc2cc(cc3c(O)cc(C(OC)=O)nc23)Br	11156
+c1ccccc1COc2cc(ccc2O)CC(O)=O	3
+c1ccccc1COc2cc(ccc2OC)C3CNC(=O)C3	11157
+C1NC(=O)CC1c2ccc(OC)c(c2)O	16
+c1ccccc1COc2cc(ccc2OC)CC(CC)N	157
+c1ccccc1COc2cc(N)ccc2OCCOC	0
+c1ccccc1COc2c([N+]([O-])=O)ccc(c2)CO	41
+c1ccccc1COc2cc(ccc2N)CC(C(=O)CC)C	0
+c1ccccc1COc2cc(cnc2Nc3scc(C)n3)CC=O	11158
+c1ccccc1COc2cc(cnc2Nc3scc(C)n3)C=COC	5008
+c1ccccc1COc2ccc3C(=O)N(CC(C)C)C(=C(c4ccccc4F)c3c2)C(O)=O	127
+c1ccccc1COc2cc3C=CCc3cc2	1358
+c1ccccc1COc2c(cc3C4=CC(C(C(OCC)=O)=CN4C(C(C)(C)COC)Cc3c2)=O)OC	2746
+C1(C(=O)OCC)=CN2C(CC)Cc3c(cc(OC)c(c3)O)C2=CC1=O	16
+CC1(C)c2ccc(O)cc2OC1	16
+c1ccccc1COc2cc3C(CCc3cc2)O	74
+C(C(=O)OCC)c1c2c(cc(O)c1)cccc2	16
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(c(OC)c3)O	16
+c1(cc2c(c(C#N)cnc2cc1F)Cl)O	16
+O(C)CCOc1cc2ncc(C#N)c(c2cc1O)Cl	16
+c1ccccc1COc2cc3c(cc2)CNCCO3	162
+c1c2c(ccc1O)n(cc2)Cc3cc(ccc3)C(=O)OC	16
+c1ccccc1COc2ccc3ncc(c(NC)c3c2)N	13
+c1c2c(ccc1O)n(cc2)C	16
+c1ccccc1COc2ccc3c(n(C4OCCCC4)nc3C=O)c2	178
+c1ccccc1COc2nn3CCNCc3c2	729
+c12nc(sc1c3ccc(cc3nc2)O)CCC	16
+c1([nH]nc(c1)Nc2c3ccc(cc3ncn2)O)CC(Nc4cccc(c4F)F)=O	16
+c1(cc(c(cc1)O)C#N)-c2cc(ccn2)C(=O)OC	16
+c1ccccc1COc2cc3OCC(C)(C)c3cc2	11159
+O=S(=O)(Nc1c(OCc2ccccc2)ccc(C(CBr)O)c1)C	74
+c1ccccc1COc2ccc(C(O)CN3CCC(CC3)(c4ccc(OC)nc4)O)cc2F	74
+c1ccccc1COc2ccc(C(O)CN)c3SC(Nc23)=O	18
+C1CN(CCC1(c2ccc(OC)nc2)O)CC(O)c3cc(F)c(O)cc3	16
+c1ccccc1COc2ccc(C)c(c2F)C(O)=O	1
+c1ccccc1COc2ccc(cc2CC)O	1437
+c1ccccc1COc2ccc(cc2N)CCN	51
+c1ccccc1COc2ccc(CC#N)cc2N	0
+C1CCN1C(Cc2ccc(cc2C#N)O)=O	16
+C(C)OC(c1n(c2c(c(Cl)ccc2O)c1)C)=O	321
+Clc1cc(C(Nc2nnn[nH]2)=O)c(cc1)O	16
+c1ccccc1COc2ccc(Cl)cc2Cn3ncc([N+]([O-])=O)c3	309
+c1ccccc1COc2ccc(Cl)cc2Cn3nc(cc3C)C#N	331
+c1ccccc1COc2ccc(cc2Cn3ncc(N)c3)Cl	209
+c1cc(cc(F)c1OC(C)C(OCC)=O)O	16
+C(C(OCC)C(OC)=O)c1ccc(cc1C)O	16
+c1ccccc1COc2cc(c(-c3c(ccc(C(C)C)c3)OC)cc2)CO	41
+c1ccccc1COc2cc(c(CC(C(=O)OC)OCC)cc2)CC	3168
+c1cc(ccc1)COc2cc(ccc2CO)OCc3ccccc3	41
+c1c(F)c(c(cc1)F)C(Nc2nn(cc2)Cc3c(C)cc(cc3)O)=O	16
+c1c(F)c(c(cc1)F)C(Nc2ccn(Cc3c(ccc(O)c3)Cl)n2)=O	16
+c1ccccc1COc2c(c(N)c(C#N)cc2)OC	0
+c1cc(ccc1-c2n(-c3ccc(Cl)cc3Cl)nc(C(=O)OCC)c2C)O	16
+c1ccccc1COc2cc3c(c4c(c(cc(Br)n4)C(=O)OC)[nH]3)cc2	5075
+c1cc(ccc1)Cc2ccc(cc2)OCCCn3c(-c4ccc(cc4)OCc5ccccc5)ccc3C	20
+c1cc(ccc1-c2n3nccc3nc4CCCc24)O	16
+C1CCCCN1NC(c2nc(n(c2C)-c3ccc(cc3)O)-c4c(Cl)cc(cc4)Cl)=O	16
+c1cc(ccc1-n2c(c(nc2-c3ccc(cc3Cl)Cl)C(=O)OCC)C)O	16
+c1ccccc1COc2ccc(cc2)-n3c(-c4c(Cl)cc(cc4)Cl)nc(C(=O)O)c3C	6
+c1cc(ccc1C(Cc2ccncc2)=O)O	16
+c1cc(ccc1C(CO)CO)OCc2ccccc2	1257
+c1cc(ccc1-c2nc(on2)-c3ccc(cc3)OCc4ccccc4)Oc5ccncc5	2304
+c1cc(ccc1C(NCCC(=O)OC)=O)O	16
+c1ccccc1COc2ccc(cc2)C(CNC3CCc4c(C3)cc(cc4)O)O	15
+c1cc(ccc1C2(CC2)c3nc4c(nc(-c5c(F)cc(cc5)CN6CC(C6)C(OC)=O)s4)cc3)O	16
+c1ccccc1COc2ccc(cc2)C3(CC3)c4nc5c(nc(-c6c(F)cc(cc6)C=O)s5)cc4	2910
+c1cc(ccc1C2=CC=CN(C2=O)C)O	16
+c1cc(ccc1C2C(F)(F)CN(CC2)C3C(N(Cc4cc(c(C)cc4)F)CC3)=O)O	16
+c1cc(ccc1CC2OC(C)(C)OC2=O)O	16
+c1ccccc1COc2ccc(cc2)CCCN	51
+c1cc(ccc1CCCN)O	16
+C1C(CC1)(C2=NCCc3ccc(OCc4ccccc4)cc23)c5c(cc(cc5)Cl)OC	1120
+c1cc(ccc1O)Cc2cc(-c3cccnc3N)on2	16
+c1cc(ccc1O)Cc2noc(c2)-c3ccc(N)nc3N	16
+c1ccccc1COc2ccc(cc2)Nc3ncnc4cnc(cc34)-c5nnc(o5)C	73
+c1ccccc1COc2ccc(cc2)N(c3ccc(cc3)C(COC)C)C	21
+c1ccccc1COc2ccc(cc2)N(C)c3ccc(cc3)C(CCN)C	51
+c1ccccc1COc2ccc(cc2)N(C)c3ccc(cc3)C(C)CO	88
+c1cc(ccc1O)N2c3c(N(C(C)C)C2=O)cccn3	16
+c1ccccc1COc2ccc(cc2)N3CC(CC3=O)COC	21
+c1cc(ccc1O)N2C(N(c3cccnc23)CC)=O	16
+c1cc(ccc1N2CC(CO)CC2=O)OCc3ccccc3	88
+c1cc(ccc1Oc2nc(ncc2)Cl)OCc3ccccc3	185
+c1cc(ccc1OCCBr)O	16
+c1cc(ccc1OCCCc2ccc(cc2)OCc3ccccc3C(OC)=O)O	16
+c1ccccc1COc2ccc(cc2)OCCCc3ccc(cc3)OCc4c(C(=O)O)cccc4	1
+O(CC)C(c1cccc(-c2ccccc2-c3c(ccc(Cl)c3)O)n1)=O	16
+c1ccccc1COc2ccc(Cl)cc2C(=O)Nc3[nH]nnn3	4713
+CCC(CC)(c1ccc(O)c(c1)C)c2oc3c(ccc(C(=O)OC)c3)n2	16
+c1ccccc1COc2ccc(N)cc2Cl	0
+c1c(cc2n(ncc2c1O)-c3cc(F)c(cc3)O)F	16
+c1(ccc(OC)nc1C(=O)OC)O	321
+c1ccccc1COc2cc3c(C(N(CC(C)C)C(CO)=C3OCCCC)=O)cc2	3747
+c1ccccc1COc2cc3c(C(N(C(CO)=C3c4c(F)cccc4)CC(C)C)=O)cc2	11160
+c1ccccc1COc2ccc3OC(C)(C)CC(O)c3c2	74
+c1ccccc1COc2cc3C=CC(C)(C)Oc3cc2	1358
+c1ccccc1COc2ccc3c(c2)c4n(c(nc4c(n3)N)CC)C	445
+c1c2cc([nH]c2ccc1O)CC(C)C(OC)=O	16
+c1ccccc1S(=O)(=O)n2c3ccc(OCc4ccccc4)cc3cc2	367
+c1ccccc1COc2ccc3c(nc(N)c4c3n(c(n4)COC(C)=O)CC(C)(C)O)c2	445
+n1(c2ccc(O)cc2c(C(=O)C)n1)CC(OC)=O	16
+c1(n(c2c(c(N)nc3ccc(O)cc23)n1)C)CC	16
+c1ccccc1COc2ccc3c(ncc4c3C(O)CCC4)c2	59
+c1cc2c(cc(cc2)C(=O)O)cc1O	16
+c1c2c(ccc1O)n(cc2)C(C(OC)=O)C	16
+c1c2c(n(CC(OCC)=O)cc2)ccc1O	16
+Clc1cccc(c1)-c2c(C(=O)N)sc(-n3cnc4c3cc(cc4)O)n2	16
+c1ccccc1COc2ccc3c(n(cn3)-c4nc(c(C(=O)O)s4)-c5cc(ccc5)Cl)c2	6
+C1CCCN1c2cc(C)nc3c2ccc(O)c3	16
+O=S(=O)(C)NC(C)(C)Cn1c2c3c(ncc2nc1COCC)cc(O)cc3	16
+c1ccccc1COc2cc3n(C4OCCCC4)nc(CO)c3cc2	194
+CC(C)n1c(C(O)=O)cc2cc(OCc3ccccc3)ccc12	6
+c1ccccc1COc2ccc3n(CCC(=O)O)ccc3c2	3
+c1c2c(ccc1O)n(CCC(OC)=O)cc2	16
+c1c2cc3C(=O)NCC(n3c2ccc1O)C	16
+C1CC(CCC1)C(c2oc3c(c2C)cc(OCc4ccccc4)cc3)O	11161
+c1ccc(O)cc1-c2cc(CCCO)ccc2	16
+C1CCC1(Oc2cc(-c3cccc(O)c3)ccc2)C(=O)OCC	16
+c1ccccc1COc2cccc(C3CC(=O)NC3)c2	1980
+c1cc(ncc1Br)NC(c2cccc(c2[N+]([O-])=O)O)=O	16
+c1ccccc1COc2cc(ccc2)C=CCO	5083
+c1ccccc1COc2cccc(C=O)c2C	39
+c1ccccc1COc2cccc(F)c2N	0
+CCOC(OCC)c1cc2cncc(-c3cc(O)ccc3)c2o1	16
+C1COCCN1c2nc(nc3c2[nH]cc3)-c4cc(ccc4)OCc5ccccc5	4161
+c1ccccc1COc2cccc(CO)c2C	49
+c1(cc(c2cccc(c2n1)O)OCC(OCC)=O)C	321
+c1(cc(c2cccc(c2n1)O)C(=O)OCC)C	321
+C(C)OC(c1n(c2cccc(c2c1)O)C)=O	16
+c1cc(ccc1Cc2c(OCc3ccccc3)cccc2)CO	49
+c1ccccc1COc2c3n(ccc2)cnc3	1905
+c1ccccc1COc2c(cncc2)N	13
+CC(C)(C)[Si](C)(C)OCc1c(cncc1O)OCc2ccccc2	321
+c1ccccc1COc2nc(C)cc(C)c2CN3C(c4c(CC3)c(cc(C(CC)O)c4Cl)Cl)=O	74
+c1(nc(O)c(c(C)c1)CN2C(=O)c3c(CC2)c(Cl)cc(c3Cl)C(OC)CC)C	700
+c1ccccc1COc2cc3n(CCNC3=O)n2	780
+c1cc(ccc1N2C(C=3N(CC2)NC(=O)C=3)=O)F	11162
+c1cc(ccc1F)C(N2CC=3N(NC(=O)C=3)CC2)=O	11163
+c1ccccc1CS(=O)(=O)NC2=CN(C(=O)N(CC(=O)O)C2=O)COC	3
+c1ccccc1CS(c2ccc(c([N+]([O-])=O)c2)N)=O	106
+c1cc(ccc1)CS(=O)c2ccc(N)c(N)c2	0
+c1ccccc1CSC(CCC)(C)CCO	44
+C(C)CC(C)(CCO)S	11164
+c1ccccc1CSc2c(cc(N)cn2)C(C)C	13
+c1ccccc1CSc2nc(N)c(c(Cl)n2)N	193
+Nc1sc2c(nc(nc2n1)S)NC(C)CO	11165
+c1cc(ccc1)Cc2c(nnn2-c3c(cccc3)F)C(O)=O	1
+c1ccccc1Cc2nnc(N3CCN(C(C)C3)c4ncc(nc4)C(=O)OC)c(c2C)C	317
+c1ccccc1Cc2c(ccc(CO)c2)F	41
+c1ccccc1Cc2c(ccc(-c3ccc(CCC#N)cc3CC(C)C)c2)O	5
+O=S(=O)(N)c1cc(cc(SC)c1Cc2ccccc2)CO	217
+c1cc(ccc1)Cc2c(Oc3c(cc(F)cc3)C(C)O)nc4c(cc(cc4)NC(Nc5cccc([N+](=O)[O-])c5)=O)c2	74
+C1CN(CCN1c2ccc(N)cn2)c3nnc(c4ccccc34)Cc5ccccc5	13
+C1CN(CCN1c2ncc(cn2)C#N)c3nnc(c4ccccc34)Cc5ccccc5	117
+c1ccccc1-c2cn(-c3ccc4c(cc(Cc5ccccc5)c(n4)Oc6c(cc(F)cc6)C(C)O)c3)nn2	74
+c1ccccc1Cc2cccc(c2)-c3nc(c(N)c(n3)O)N	11166
+c1cc(ccc1)Cc2c(cccc2)CO	217
+c1ccccc1Cc2nc(no2)CCCN3C(N(CCCC)c4c([nH]c(Cl)n4)C3=O)=O	3251
+c1ccccc1Cc2nnc(N3CCN(C(C)C3)c4ncc(nc4)C(=O)O)c(c2C)C	1
+c1ccccc1Cc2onc(C(=O)O)c2	6
+c1ccccc1Cn2c(C)nc3N(C(N(C(c23)=O)CCCCC(O)C)=O)C	59
+Cc1nc2N(C(N(CCCCC(O)C)C(c2[nH]1)=O)=O)C	2152
+c1ccccc1Cn2c(ccc2-c3ccc4c(ccc(OCC(O)=O)c4)c3)-c5ccccc5	4
+c1ccccc1Cn2c(-c3cc4ccc(O)cc4cc3)ccc2-c5ccccc5	5
+c1cc(ccc1)CN2C(=O)Nc3c(nc(NCCOC)nc23)N	1604
+c1ccccc1Cn2c3c(c4c2ccc(C)c4)c(ccc3)OCCNC	695
+c1ccccc1Cn2c3c(cc2C)c(O)ccc3	5
+c1ccccc1Cn2c3c(c(C(N)=O)ccc3)c4c2cccc4OCC(O)=O	4
+c1ccccc1Cn2c3c(cc(OCCCC(O)=O)cc3)c(CC(=O)N)c2	3
+c1ccccc1Cn2c3c(O)ncc(Br)c3cc2C(OCC)=O	3107
+c1ccccc1Cn2c3cc(cc(C(N)=O)c3c4cc(O)ccc24)-c5c(C)noc5C	5
+c1ccccc1Cn2c3c(c(C(O)=O)cc(c3)-c4c(C)noc4C)c5cc(ccc25)OC	1
+c1ccccc1Cn2c3c(c4c(cccc24)OCCN)cc(C)cc3	51
+c1ccccc1Cn2c3c(cc2C)c(O)ccc3	16
+c1ccccc1Cn2c(CC)cc3c(O)cccc23	5
+c1ccccc1Cn2cc(c3cc(ccc23)OC)CC(=O)N	4674
+c1ccccc1Cn2cc(c3cc(O)ccc23)CC(=O)N	5
+c1cc(ccc1)Cn2c(cc(n2)OCCC)CCC(OCC)=O	1253
+c1cc(ccc1)Cn2ncc(c2C(=O)O)C(OCC)=O	6
+c1ccccc1N(C(=O)CC)C2CNCCC2	25
+c1cc(ccc1)N(CCNC)c2cccc3[nH]ccc23	15
+c1ccccc1N2C(C=3C(C(C(O)=O)=CNC=3)=N2)=O	108
+c1cc(ccc1)N2C(=O)c3c(C(=N2)CC(O)=O)c4c(cccc4)n3C	992
+c1ccccc1N2CCN(CC2)CCCOc3c(Cl)ccc(N)c3	0
+c1cc(ccc1)N2CCN(CC2)CC(=O)Nc3cccc(-c4cnc5c(n4)cccc5)c3	224
+C1CCCCCC1(N2CCC3(CC2)C(NCN3c4ccccc4)=O)c5ccccc5	11167
+c1ccccc1N2N(C(=C(C(Nc3ncc(Oc4ccnc(N)c4)cc3)=O)C2=O)C)C	1779
+c1ccccc1OC(=O)Nc2nccc(Oc3ccc(NC(=O)C=4C(=O)N(c5ccccc5)N(C=4C)C)nc3)c2	278
+c1ccccc1N2N=C3C(CCc4c3cc(N)cc4)CC2=O	0
+C1CC(CCN1CCNc2ccccc2)OCOC	15
+c1ccccc1NC(c2cc(c(cc2)N)[N+](=O)[O-])=O	0
+c1cc(ccc1)NC(c2ccc(N)c(N)c2)=O	0
+c1ccccc1NC(=O)c2nccc(N3CC(CC3)=O)c2	86
+c1cc(ccc1)NC(C(=O)O)c2cccc(c2)F	4
+c1ccccc1NC(c2cccc(c2)C3Nc4c(C(C)(C)C3)cc(C(=O)O)cc4)=O	6
+c1ccccc1NC(c2ccnc(c2)O)=O	104
+c1ccccc1NCCn2c3ncnc(c3c(-c4cc(cc(O)c4)F)n2)N	5
+c1cc(ccc1)N(Cc2cc(O)nc3ccccc23)Cc4occc4	507
+c1ccccc1NS(=O)(=O)c2cc(CN)c(Oc3cc(c(SC)cc3)C)cc2	107
+c1cc(ccc1)Nc2cc(C(O)=O)ccc2C(O)=O	11168
+c1cc(ccc1)Nc2ccc(C(O)=O)cc2N	0
+CC1(C)c2c(-c3ccccc13)cc4c5ccccc5[nH]c4c2	11169
+c1ccccc1Nc2cccc(c2CN)-c3ccccc3	107
+c1cc(ccc1)Nc2ccccc2O	5
+c1ccccc1Nc2cnc(C(NCC(=O)O)=O)cc2	3
+c1ccccc1Nc2nc(cc(CO)n2)C	88
+c1cc(ccc1)Nc2nc(ccc2C(NC)=O)CCCCNC(NCc3cccnc3)=O	587
+c1ccccc1Nc2ncccc2N	13
+c1ccccc1Nc2nn(cn2)-c3cc(N)ncc3	755
+C1CN(CCC1N(C(Nc2cc(ccn2)Oc3cc(c(NC(C4(CC4)C(Nc5ccccc5)=O)=O)cc3)F)=O)C)CC	2562
+c1ccccc1OC(Cc2ccc(cc2)OCCNC(=O)c3ccc(cc3)-c4ccccc4)C(O)=O	3
+c1ccccc1OC(Cc2ccc(cc2)OCCN)C(OCC)=O	18
+c1cc(ccc1)OC(=O)Nc2cccc(C#Cc3cnc(nc3)N)c2	90
+c1ccccc1OC(Nc2cccnn2)=O	278
+c1ccccc1OC(=O)Nc2cnc(C#N)cn2	2205
+n1cc(cnc1Cl)C#Cc2cccc(c2)NC(=O)Oc3ccccc3	90
+c1cc(ccc1)OC(Nc2cc(-c3cnco3)cc(c2)-c4cnco4)=O	90
+C1CN(CCC1Cc2ccccc2)C(C(=O)c3ccc4c(c3)sc(N)n4)COc5ccccc5	155
+c1ccccc1OCC2CCC(CC2)N(C(Nc3ncc(SCC(O)=O)s3)=O)C4CCCCC4	3
+c1ccccc1OCC2OCCN(S(=O)(=O)c3c4c(c(cc(c4)Cl)N)[nH]c3C(=O)OCC)C2	13
+c1ccccc1OCCC(CO)N	95
+c1ccccc1OCCC2CN(C)CCN2	2062
+c1ccccc1OCCCCC(C(OCC)=O)C	2283
+c1ccccc1OCCCCC(CO)C	21
+c1ccccc1OCCCCC(C(O)=O)C	3
+c1ccccc1OCCCCCC(c2oc(-c3ncccc3)cn2)=O	11170
+c1ccccc1OCCCCCCCCCCCO	21
+c1ccccc1OCCCCCOc2cc(ccc2)N	0
+c1ccccc1OCCN(c2c(C(O)=O)nc(-c3ccc4OCCN(C(=O)Nc5nc6c(cccc6)s5)c4c3)s2)C	6
+c1ccccc1OCCNc2c(N)cnc3ccccc23	13
+c1ccccc1OCc2oc3ccc(cc3c2)CN	107
+c1cc(ccc1)Oc2c(ncc(Br)c2)NC(=S)N	401
+c1ccccc1Oc2cc3c(OC(=CC3=O)C(=O)O)cc2NS(=O)(=O)C	108
+c1cc(ccc1)Oc2c(Br)ccc(c2N)O	0
+c1ccccc1Oc2ccc(cc2N)F	0
+c1ccccc1Oc2c(cc(N)cc2)C	0
+c1cc(ccc1)Oc2ncccc2N	13
+c1ccccc1Oc2c(ccc3c2CCC(C)N3C(=O)C4CC4)-n5cccn5	901
+c1ccccc1Oc2ccc3CC(C(=O)c4oc(cn4)-c5nc(C(=O)OC)ccc5)CCc3c2	11171
+c1ccccc1Oc2cc(N)c(O)cc2	0
+c1cc(ccc1CCC(S(=O)(=O)C)(C)C(=O)O)Oc2ccccc2	3
+c1ccccc1Oc2ccc(cc2)COc3c(F)cc(cc3)CCC(O)=O	3
+c1ccccc1Oc2ccc(Cl)cc2N	0
+c1ccccc1Oc2c(N)cc(cc2)O	0
+c1ccccc1Oc2ccc3CC(C(=O)c4oc(cn4)-c5nc(C(=O)O)ccc5)CCc3c2	1
+c1ccccc1Oc2cccc(c2)C(CO)C#N	237
+c1cc(ccc1)Oc2cccc(c2N)CC(=O)OCC	0
+c1cc(ccc1)Oc2cccc3NC(C)CCc23	2648
+c1ccccc1Oc2c(cccc2)Cn3ccc(C(=O)O)n3	6
+c1ccccc1Oc2ncc(cn2)-c3[nH]nc(c3)C(O)=O	6
+c1ccccc1Oc2nccc(n2)C(=O)O	1
+c1ccccc1P(c2ccccc2)c3ccc4ccccc4c3-c5c(ccc6ccccc56)NS(=O)(=O)C	11172
+c1cnccc1-c2ccnc3ccc(cc23)C=CC(=O)OC	530
+O=C(OCC)C(C)=Cc1ccc([N+]([O-])=O)cc1F	11173
+c1ccccc1S(=O)(=O)C2CN(C(C(=O)O)C2)c3cc(C)nn3-c4cc(Cl)ncc4	4
+c1cc(ccc1)S(=O)(=O)CC(=O)Cn2cncc2	5088
+c1cc(ccc1)S(=O)(=O)Cc2c(N)ccc(c2)N3CCN(CC3)Cc4ccccc4	0
+O=S(=O)(c1ccccc1)Nc2cc(cnc2)Br	322
+C1CN(CCC1C(c2ccc(cc2)F)NCCc3ccccc3)S(=O)(=O)c4ccccc4	1218
+c1ccccc1S(=O)(=O)N2CCC(CC2)Cn3ccc4nc(-c5c[nH]nc5)ccc34	747
+C1CNCCN1c2cc3cc(C(=O)OC)oc3cc2	11174
+C1CN(CCN1c2cc(C)ccc2C)C(=O)C3N(C3)S(=O)(=O)c4ccccc4	11175
+c1ccccc1S(=O)(=O)NC(c2cc(N)c(cc2)NC(C)=O)=O	0
+O=S(=O)(NCC1=CC(=O)C(=CO1)O)c2ccccc2	2306
+c1ccccc1COC2=COC(=CC2=O)CN	11176
+Cc1nnsc1C(=O)c2[nH]c3ccc(Cl)cc3c2CC(OC)=O	11177
+c1ccccc1S(=O)(=O)Nc2cccc(c2)S(=O)c3ccc(c(CNCCC)c3)N	0
+c1ccccc1S(=O)(=O)Nc2cc(ccc2)Sc3ccc(N)c(c3)CNCCC	0
+O=S(=O)(c1ccccc1)c2ccc(N)c(O)c2	0
+c1ccccc1S(=O)(=O)c2cc(O)c([N+](=O)[O-])cc2	5
+O=S(=O)(c1ccccc1)c2ccc(cc2)O	5
+c1ccccc1S(=O)(=O)c2ccc(nc2)CN	421
+c12ccc(Cl)nc1cc(C#N)[nH]2	3131
+Brc1ccnc2c1cc(C)[nH]2	1017
+CN(C)Cc1[nH]c2c(c1)cc(cn2)[N+]([O-])=O	1017
+c1ccccc1CCc2cc3c(cc2)[nH]c4ncc(Cl)cc34	5056
+c1ccccc1S(=O)(=O)n2c3cc(F)ccc3c(-c4cc5oc(CCl)nc5cc4)c2	2037
+c1ccccc1S(=O)(=O)n2c3c(cc2)cc(cc3)O	16
+O=S(=O)(c1ccccc1)n2cc(CO)c3ccccc23	269
+O=S(=O)(c1ccccc1)n2c(cc(c2)CO)Br	382
+c1ccccc1S(=O)(=O)n2c3ncc(-c4c(cn[nH]4)-c5nc(ncc5)SC)cc3cc2	747
+c1cc(ccc1)SC(CN)c2c3ccccc3ccc2OC	157
+c1cc(ccc1)Sc2ccccc2CN	162
+c1cc(ccc1)Sc2ccc(cc2N)C	0
+c1cc(ccc1)C(CCCn2cnc3c2c4c(nc3)cccc4)O	3151
+c1ccccc1[Si](c2ccccc2)(N3C(=O)CC3C=O)C(C)(C)C	24
+C1CC(CCN1C(=O)COC(=O)C)CO	701
+c1cc(ccc1)[Si](c2ccccc2)(OCCC3(CCCCC3)CC)C(C)(C)C	2836
+C1(C)(CCC(CC1CCO)OC(=O)C)C2CCC3(C)C(CCC3C2OC(C)=O)=C	5105
+c1ccccc1[Si](c2ccccc2)(Oc3ccc(cc3)-c4c(cc(cn4)Br)Cl)C(C)(C)C	119
+C1CCCC(n2c3cc(ccc3c(n2)C(=O)OCC)O)O1	11178
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)N3C(CC3=O)CO	118
+c1ccccc1[Si](c2ccccc2)(N3C(=O)CC3COCc4ccccc4)C(C)(C)C	21
+c1ccccc1[Si](c2ccccc2)(OC3CC4OC(CC4C3CCC5(OCCO5)COc6cccc(Cl)c6)O)C(C)(C)C	2697
+c1ccccc1[Si](c2ccccc2)(OCC3=CC=CN(c4c(cc(N)cc4)Cl)C3=O)C(C)(C)C	0
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3C(=O)CCCO3	86
+C(O)C1C2C(C)(CCC1C3(C)C(COC(=O)C)CC(OC(=O)C)CC3)C(=C)C(C2)OC(C)=O	5105
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC3CCC(CN3C(c4nc(ccc4-c5ncccn5)C)=O)C	147
+c1cc(ccc1)[Si](c2ccccc2)(OCCN(Cc3ccc(cc3)C=O)C)C(C)(C)C	39
+c1cccn1-c2c(cc(cc2OCC)CN3CCC(CC3)Nc4nc5c(N)cccc5o4)OCC	13
+c1ccn(c1)-c2cc(CO)cc(C(=O)OC)c2	49
+c1cccn1-c2cc(cc(N)c2)[N+]([O-])=O	0
+c1(nc2ccccn2c1CCC)CO	2068
+c1cccn2c(cnc12)CO	1125
+c1cccn1-c2cc(C(=O)O)cc(c2)C(=O)OC	1
+c1ccn(c1)-c2cc(cc(N)c2)NC(=O)C	0
+c1ccn(c1)-c2cc(CC)c(nc2C)O	104
+N1(c2ncc(cc2C(=O)Nc3cccnc13)Br)CC	4735
+c1cnc(C(=O)c2ccccc2OC)n1CC(c3ccc(c(c3)Cl)Cl)CCO	168
+C1CC2CCOC(=O)N2CC1c3ncc4c(Cl)nccn34	856
+C1CC2COCC(=O)N2CC1c3ncc4c(Cl)nccn34	856
+C1CN(C(CC1c2ncc3c(Cl)nccn23)=O)C	856
+c1nn(C)c2CCCC(c3ncc4c(Cl)nccn34)c12	856
+c1(Cl)nccn2c1cnc2	5033
+c1cnc(SCOC)n1-c2cccc(C=3CC(Nc4c(ccc(c4)-c5ccccc5F)N=3)=O)c2	1222
+Nc1cccc2c(nccc12)C#N	0
+Nc1cccc2c(nccc12)O	0
+n1c(c2ccncc2nc1Cl)Nc3ncn(C)c3	11179
+c1cnccc1-c2c(-c3ncco3)nc(N)c(N)c2	13
+c1cc(ccn1)-c2c(F)c(N)ccc2F	0
+c1cc(ccc1Cl)C=2C=CN3C(=O)NN=C3C=2c4ccncc4	11180
+C1CNCCC1c2cccc3NC(Cc23)=O	1413
+c1cnccc1-c2c3c(nc(Nc4ccc5NC(CCc5c4)=O)nc3NC6CC6)[nH]c2	392
+C1CC(CCN1)c2c(cc(c3c2CCO3)N)C	1413
+c1cnccc1-c2cc(CC#N)cc(c2)C=O	39
+c1cnccc1-c2nc3n(C(C)C)ncc3c(C(O)=O)c2	6
+C1CC(CCN1)c2ccc(cc2)C(C)C(NCC)=O	1413
+c1cnccc1-c2ccc(cc2)C(C(=O)O)CC3CCCC3	4
+c1cnccc1-c2ccccc2N	0
+c1cnccc1-c2cn(CCO)nc2-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F	168
+c1cnccc1-c2nc(Oc3c(C)cccc3)c(cn2)C(O)=O	6
+c1cnccc1-c2ncccc2OC3CCNCC3	25
+c1cc(ccn1)-c2nn3c(cccc3Cl)c2	3169
+c1cnccc1Cc2c3ccccc3[nH]c2	2188
+c1cnccc1Cc2c[nH]c3c2cc(cc3)F	2188
+c1cc(ccn1)C2(c3cc(ccc3)O)c4cccnc4C(=N)N2	11181
+c1cnccc1C=Cc2cncc(c2)C=Cc3cc(Nc4ncccc4N)ccc3	13
+O(C)c1cc(ccc1)C(c2cccc(OC)c2)(CC3CCNCC3)O	2126
+c1cnccc1CN2CCCC2c3cc(O)ccc3	5
+c1cnccc1CNC(N2CCCCC2COc3c(c(N)ccc3)C#N)=O	0
+C1CC(CCN1)Cc2c[nH]c3ccccc23	2126
+C1CC(CCN1)Cc2c3cc(F)ccc3[nH]c2	2126
+c1cc(ccn1)NC(=O)c2[nH]nc(Nc3c4occc4nc(Cl)n3)c2	187
+c1cnccc1N2CCC(CC2)CO	647
+c1cnccc1N2CCC(CC2)CO	44
+c1cc(ccn1)OCc2nc3n(c2)nc(cn3)-c4c(F)cc(F)cc4	2303
+c1cc(ccn1)OCCCN	45
+c1cnccc1SCC2=Nc3cc(nn3C(=O)C2)-c4ccco4	11182
+c1cnn(c1C(=O)c2c(Cl)c(Cl)c(c(CC=C)c2)OCC(=O)O)C	3
+c1(CC=C)cc(C(c2ccnn2C)=O)c(c(Cl)c1O)Cl	423
+c1cnn(c1C(=O)c2cc(O)c(c(Cl)c2Cl)O)C	2990
+c1csc(C(NCC(C(=O)O)NC(=O)c2ccc(C(=O)NCc3cc(O)ccc3)cc2Cl)=O)c1	4
+c1csc(c1Cl)C(NC(Cc2ccc(CCCc3ccc4c(n3)NCCC4)cn2)C(=O)O)=O	4
+Oc1c(cccc1)CC(=O)c2cn(CCCCC)c3ccccc23	5
+c1n(CCCn2ccc3ccccc23)ncc1N	5091
+OP(O)(=O)COCC(CO)On1cnc2c(N)ncnc12	228
+c1n(c2ncccc2n1)-c3ccc4c(C(=O)CC4C(=O)O)c3	3
+c1n(nc(I)c1CO)C2CCCCO2	11183
+Ic1c(cn(n1)C2CCCCO2)C=O	576
+c1n2c(nc1)ccc(CO)n2	398
+c1nc(c2n1-c3ccc(cc3C(N4C2CC4)=O)F)C#N	1751
+c1nc(C(=O)O)c2n1-c3ccc(cc3C(N4C2CC4)=O)F	6
+c1cc(C)ncc1CO	295
+c1cc(C)ncc1COC	382
+OCc1cnc(Cl)cn1	88
+c1nc(Cl)nn1-c2ccc(N)cc2OC	0
+c1(nccc(O)c1C)CSc2nc3ccccc3[nH]2	5
+c1c(I)cc(c(NCc2cc(c(OCc3ccc(nc3)OC)cc2)OC)n1)N	13
+c1c(I)cc(c(NCc2ccc(OCc3ccc(nc3)OC)c(c2)OCC)n1)N	13
+Nc1c(Cl)ncc(c1)[N+](=O)[O-]	13
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)C#N	1751
+c1nc(c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C)C#N	1751
+c1nc(c2N=NN(CC(=O)O)C(=O)n12)C(=O)N	3
+c1nc(C(=O)O)c2n1-c3c(c(ccc3)CCN4CCN(c5c6c(cc(c5)F)nc(C)cc6)CC4C)OC2	6
+c1n2ncc(Br)c2cc(c1)C(=O)N(CC)c3ncc(C#N)cc3	11184
+n1(-c2ncccc2Cl)ncc3c(ncnc13)OC(CCOC)C(=O)Nc4ccc(cn4)C	11185
+c1nc(ccc1C)NC(=O)C(CCOC)O	948
+n1cccnc1-c2cccc(c2)CCN	51
+c1nc(ncc1)C(O)CCl	11186
+n1cccnc1C(F)(F)CO	44
+c1nc(ncc1)COc2cc3c(n(nc3C(C)=O)CC(OC)=O)cc2	2818
+c1c(Cl)c(c(cc1)Cl)C(=O)c2n3cccnc3cn2	11187
+c1nc(ncc1)N(C)c2ccc(cc2)C=CCC(C(=O)O)NC(c3c(Cl)cccc3Cl)=O	4
+C1CN(CCN1C(=O)Cn2c(-c3ccccc3)nc(c2)Br)c4ncccn4	11188
+C1CC(CCC1Nc2ncccn2)CCO	44
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(ccc4c(S(C)=O)c3)C(O)=O	1
+c1nc(ncc1-c2ccc(OCCCCCCCC)nc2)-c3ccc(c(c3F)F)O	16
+c1cc(ccc1-c2cnc(nc2)N)C3(CCC(CC3)=O)c4cc(OC5CCCC5)c(OC)cc4	1678
+C1CC(CCN1C(OC(C)C)=O)OCc2nc(-c3cnc(nc3)O)no2	11189
+n1cc(cnc1NCCN2CCOCC2)C#Cc3cc(cnc3)N	1472
+c1cc(ccc1Oc2ncc(cn2)Br)O	5
+c1nc(ncc1C(=O)NCc2cc(C)cc(c2)C(O)=O)N3CC(Oc4ccccc4OCC)CCC3	1
+c1nc(ncc1C(=O)O)N2Cc3[nH]c4ccccc4c3CC2	1
+c1cc(ccc1Nc2ncc(cn2)CO)Cl	897
+n1cc(cnc1Nc2ccccc2)CO	897
+n1cc(cnc1C)C(CC=O)CC(OCC)=O	24
+c1nc(ncc1C(=O)O)N2CCCC(Oc3ccccc3OCC)C2	6
+c1nc(ncc1COC)N2CCC(CC2)C3C(CCOc4cc(F)c(c(F)c4)CC(=O)O)C3	4
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCNc4ccc(cn4)-n5nnnc5)C3	182
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCNc4ccc(-n5ccnn5)cn4)C3	182
+c1nc(ncc1Cl)N2CCC(CC2)C3C(C3)CCN	18
+n1cc(cnc1C(Nc2nc(c(Cl)cn2)Nc3cc(n[nH]3)OC)C)F	96
+C1CC(CCN1)CNc2ncc(cn2)F	62
+n1cc(cnc1NC(=O)CCCCC)O	3167
+n1cc(cnc1-c2ccc(cc2)CCCCCOCCC)O	11190
+c1nc(ncc1O)NC	11191
+c1nc(ncc1N)Oc2ccc(c3c2C4(CC4)CO3)C	193
+c1nc(nn1-c2ccc(cc2F)C#N)C(=O)O	1
+c1nc2Nc3cc(CO)ccc3Sc2nc1	98
+c1n(c2C(N(C(=O)N(c2n1)C)C)=O)C(C(O)=O)C	4
+Nc1c(cc(C#N)cc1)S	11192
+c1nc2c(nc(N3CC(C(=O)O)CCC3)nc2s1)Nc4ccc(OC)c(c4)OC	4
+n1c(C)cc(nc1SCc2c(c(SCCCSc3nn4c([N+](=O)[O-])cnc4cc3)ccn2)C)C	4992
+Nc1cncc(c1N)-c2cncc(c2)F	13
+c1ncc(nc1C)C(NC23CC(CCC2)(C(=O)O)CC3)=O	3
+c1(CO)c(C)onc1-c2ccncn2	1043
+c1ncn(c1)CCCCCCCN	51
+c1ncncc1-c2ccnc(Nc3c(C)ccc(c3)N)n2	0
+n1cc(cnc1)CCC(OC)=O	11193
+n1ncn(c1)-c2c(CN)cccc2	107
+c1cc(C)c(Nc2nc(cs2)CO)cc1	1171
+n1(-c2cc(c(N)cc2)C(=O)N)ccnc1	11194
+c1(c(N)ccc(-n2ccnc2)c1)C	0
+n1(-c2cccc(N)c2)ccnc1	0
+c1cnn(c1C(=O)c2cc(c(OC)c(Cl)c2Cl)OC)C	2229
+n1c(ccnc1Cl)Nc2ccc3n(C)c(nc3c2)N	73
+n1(C)c(nc2c1ccc(N)c2)N	0
+c1cccc(C(=O)Nc2cn[nH]c2C(NCCCC(OCC)=O)=O)n1	747
+n1(C=C)cc(C=O)cn1	576
+n1(C=C)cc(C(=O)O)cn1	6
+n1(C=C)cc(CO)cn1	536
+n1(c(-c2ccc(-c3c(C)cnc(OC)c3C)cc2F)c(cn1)C(=O)O)C4COCC4	6
+c12c(c3n(ncc3c(O)n1)C4COCC4)ccc(-c5c(C)cnc(OC)c5C)c2	11195
+C(NC)c1n(c2c(ccs2)c1)C	729
+n1(ccnc1)-c2cc(N)c(N)c(C)c2	0
+n1(ccnc1)-c2cc([N+]([O-])=O)c(N)c(C)c2	106
+n1(nc(-c2ncccc2)cc1)-c3ccc(N)cc3F	0
+OP(O)(c1ccc2c(n(nc2C(N)=O)CC(=O)N3CC(CC3C(NCc4c(F)c(ccc4)Cl)=O)F)c1)=O	228
+n1(nc(cc1[N+]([O-])=O)C(=O)O)C2CCCCO2	1
+n1(ncc2c(O)c(cnc12)C(=O)O)CC	6
+n1(ncc2c1ccc(c2)NC(Nc3cccc(Oc4ccnc(C(O)=O)c4)c3)=O)C	1
+C(=O)(c1cnc(-n2nnnc2)cc1)O	1
+O=Cc1c2n(c(Br)n1)cccc2	5090
+n12c(C)nnc1c(NCc3c(C)cccc3CC)cc(C(=O)O)c2	1
+c1n2c(cc(CO)c1)ccn2	4557
+OCc1sc2n(c1)cnc2	59
+n12cc(N)cc(C)c1nnc2C	13
+n12nnnc1c(N)c(NCCCO)c(c2C)C	4997
+Nc1nnc2ccccc2n1	11196
+c1cccc2n[nH]c(CO)c12	11197
+n1c(-c2cc(C)c(F)cc2)c(ccc1)-c3cc(c4n[nH]cc4c3)C(=O)O	1
+O=Cc1nc(Br)c(cc1)O	178
+n1c(Br)ccc(c1)C2N(N=C(C2)C(=O)O)c3c(Cl)cccc3	4
+n1c(Br)sc2cc(ccc12)CO	217
+C(c1cc(Cl)c(nc1-c2cc(F)ccc2)CN)(=O)OC	421
+c1c(c(-c2scc(CO)n2)ccc1C)[N+]([O-])=O	1171
+c1cc(ccc1)-n2nc(C(OC)=O)c(C(=O)O)n2	1
+n1c(C)cc(C(=O)O)n1CCOC	6
+c1cc2sc(nc2cc1CO)C	98
+C1CC(CCC1=O)(c2c(Cl)cccn2)C	1678
+c1ncncc1-c2cc(nc3CCCCc23)OCc4nc(F)ccc4	91
+n1c(COC(CCCCC)=O)nc(cc1)O	104
+O(Cc1nc(ccc1)CNc2nc(nc(Cl)c2NC=O)N)C3COCC3	40
+Nc1c(ncnc1Cl)Nc2ccnc(Cl)c2	193
+n1c(Cl)c2c(nc1Nc3cc(ccc3N)F)N(C4CCOc5c(F)cccc45)C(=O)N2	0
+n1cnn(-c2cc(Cl)ncn2)c1N	5106
+n1n(-c2cc(Cl)ncn2)cnc1	5106
+c1nc(Cl)cnc1COC	2068
+c1c2c(nc(n1)Cl)cccc2	511
+n1c(F)cc2cc(C(=O)O)ccc2c1	1
+Nc1nc(nc(N)c1N)-n2nc(c3ccccc23)Sc4ccccc4F	193
+n1c(NC(CC)C)cc(cc1-c2ccccc2F)C(=O)O	1
+C1(=O)CCC(=O)N1c2sc(cn2)C#N	11198
+n1c(NC(CCC(=O)O)=O)sc(c1)C#N	4
+n1c(NC)nc(Oc2cc(N)c(cc2)O)cc1	0
+c1c(N)cc(cc1)NC(NCCCNc2nc(Cl)ncc2Br)=O	0
+c1(ncccc1)N2C(=O)C=CC=C2	11199
+COc1nc(nc(OC)c1)Oc2c(nc(N3CCCC3)cc2)C(O)=O	1
+n1c(OC)ccc(C(O)C(C)N)c1	157
+n1c(OC)ccc(CO)c1	295
+Oc1ncc(C=2C(=O)N(C(=NC=2c3cc(F)ccc3)N)C)cc1	104
+n1c(c(Cl)cc(Cl)c1F)OCC(=O)O	3
+c1(nc(SC)ncc1C(=O)O)Oc2c(cccc2)C	6
+n1c(SC)nc2c(c(c(CC)n2Cc3cc(Cl)ccc3)C(=O)C(N)=O)c1OCC(=O)O	4
+n1c(SC)nccc1-c2c(nc3n[nH]cc3c2)-c4occc4	11200
+n1c(c(CC)c(n1C)-c2csc(C(=O)O)c2)Cl	1
+n1c(C(=O)O)c(NC(=O)c2ccccn2)cn1C3CCCCO3	1
+n1c(c(c(s1)N)C(=O)N)-c2cc(ccc2)N	0
+c12cnc(cc1c3c([nH]2)ncc(c3)Br)OC	4863
+Nc1nc(c(cc1N)-c2c(cncc2)Cl)-c3c(cccc3)F	13
+n1c(c(ccc1)OC)-c2cc(-n3nnnc3)cc(C(=O)O)c2	1
+n1c(c(N)ccc1F)C(=O)N	13
+Cc1c2n(NC(=NC2=O)c3cc([N+]([O-])=O)ccc3)c(C)n1	3796
+Cc1c2n(NC(=NC2=O)c3cnc(cc3)Cl)c(C)n1	11201
+n1c(c2c(C3C(C2)C3)n1-c4nccc(Br)c4)C(=O)O	6
+n1c(c2c(C3C(C2)C3)n1-c4nccc(Cl)c4)C(=O)O	6
+C(CCCn1cnc2nc(nc(c12)O)NCc3ccc(c(Cl)c3)Cl)O	59
+n1c(C#N)cc(C)n1CCCC	331
+n1c(ccc2c1ccc(N)c2)NC3CCc4ccccc34	0
+n1c(cn(CC(CCc2nnc(s2)NC(Cc3ncccc3)=O)F)n1)C(=O)O	6
+n1c(cn(CCCCCCCC(=O)O)c1)-c2ccccc2O	4
+n1c(NC)c(N)c(Cl)nc1Cl	193
+n1c(nc(cc1)Oc2ccc(N)cc2F)NCCCO	0
+C(=O)(c1ccc2nc(nn2c1)Br)O	1
+n1c(oc(C)c1COc2cc(c(CC(OCC)C(=O)O)cc2)CC)-c3c(cccc3)F	4
+n1c2c(c(Cl)cc1-c3ccccc3O)cccc2	5
+c1(C=O)cc2c(O)nc(nc2cc1)CCCC	39
+[N+]([O-])(=O)c1cc2NC(C(Nc2c3c1nnn3C)=O)=O	11202
+C1Cc2ccc(C)cc2NC1	1352
+n1c2c(ccc(N)c2)n(CC)c1Cn3ccnc3-c4cc(ccc4F)F	106
+Nc1cc2ncccc2cc1	0
+C(c1ccc2ncccc2c1)N	107
+n1c2c(ccc1)cc(C#N)cc2	274
+n1c2c(cccc2)c([nH]1)C=Cc3ccccc3N	0
+n1c2c(cccc2)c([nH]1)C=Cc3c(cccc3)Nc4scc(n4)C(=O)O	6
+C1CN(CCC1c2ncccn2)CCCCn3cnc4c3cccc4	53
+n1c2c(n(CCCC=O)c1)c3c(cccc3)nc2	24
+n1c2cc(cc(N)c2cn1C3CCCCO3)-c4c5cc[nH]c5ccc4	0
+c12nc(OC)c(nc1cc(F)cc2CN)OC	18
+n1c2cc(ccc2ccc1)CO	98
+c1cc2n(c(nc2cc1CO)C)CC	98
+n1c2ccc(C#N)cn2c(-c3nccc(O)n3)c1	104
+n1c2ccc(cn2c(-c3nccc(O)n3)c1)F	104
+Nc1ccc(Cl)c(-c2nc3cccnc3cc2)c1	0
+c1cccc2n[nH]c(CO)c12	398
+C(c1cc(c(-c2[nH]nc3cccnc23)cc1)F)(=O)O	1
+n1c2n(c(c1-c3cc(N)c(C)cc3)Br)nc(OC)cc2	0
+n1c2n(cc(Br)c1)cc(-c3c(Cl)ccc(N)c3)n2	0
+C(c1cc(OC)c(C)cc1)Nc2cc(-c3cc(ccc3)O)cnc2	162
+n1cc(-c2cccc(N)c2)nc3ccccc13	0
+Nc1cc(C)c(cc1)-c2cnco2	0
+n1cc(-c2c(cccc2)O)c[nH]1	5
+n1cc(cc(C#N)c1)O	390
+CC(C)c1ccc(F)nc1	1747
+c12cnc(cc1c3c([nH]2)ncc(c3)F)OC	11203
+O=Cc1ccc2ncc(Cl)n2c1	200
+CC(C)c1cncc(N)c1	1747
+O(c1c(c(nnc1)Cl)O)C	390
+O(c1cccnc1)c2cc(OCCOC)c(nc2)N	161
+Nc1cncc(Cl)c1O	13
+n1cc(-c2c(C)[nH]c(-c3ccc(OC)c(OC)c3)n2)ccc1	11204
+n1cc(ccc1-c2ccc3cc(ccc3c2)O)C(=O)OC	5
+n1cc(cnc1)-c2nccc(Nc3c(ccc(N)c3)C)n2	0
+n1cc(cnc1)-n2ncc(C(O)=O)c2CC	6
+n1cc(cnc1-c2cccc(CO)c2)OCCCN(C)C	98
+c1nc(ncc1OCC)-c2ccc(cc2)CCCCCO	374
+n1cc(cnc1-n2c3c(cc(cc3cc2)N)C4CC4)C	0
+n1cc(cnc1C)C(CCCC(CCc2ccc3CCCNc3n2)=O)CC(OCC)=O	1678
+n1cc(cnc1COC)-c2ccc(cc2)S(=O)(=O)Nc3cc(F)c(cc3F)C(O)=O	1
+n1cc(cnc1OCCOc2nc(nc(NS(=O)(=O)CC)c2Oc3ccccc3OC)-c4ncccn4)Br	482
+n1cc(cnc1N2CC(CCC2)Cn3nnc4ncc(nc34)-c5cn(C)nc5)Br	117
+c1nc(ncc1CCC)N2CCC(CC2)Oc3ccnc(O)c3	624
+n1cc(cnc1N2CCC(CC2)Oc3cc(ccc3Cl)Br)-c4nnn(CC(O)=O)n4	3
+n1cc(cnc1N2CCC(CC2)Oc3cc(ccc3Cl)Cl)-c4nnn(CC(O)=O)n4	3
+C1CN(CCC1c2cnc(nc2)N3CCOC(Cn4c5nc(-c6cn(C)nc6)cnc5nn4)C3)C	11205
+n1cc(cnc1Nc2cnccc2)N	193
+c1nc(ncc1N)Oc2c3C4(CC4)CCOc3ccc2	193
+n1cc(cnc1Oc2cccc3OCCC(C)c23)N	193
+n1ccc(-c2cnccc2)nc1Nc3cc(N)c(C)cc3	0
+n1ccc(C(=O)C)c2cc(C#N)ccc12	155
+c1c(C)cc(NC(=O)c2ccc(c(N)c2)N)nc1	0
+n1ccc(NC(C)c2ncc(cc2)F)nc1Nc3cccnc3O	104
+o1c(nc2cnccc12)-c3c(N)nccn3	11206
+n1ccc(Oc2cnc(cc2)N)cc1NC(C)=O	161
+c12c(cccc1C(C)O)ccnc2	74
+n1ccc2n1c(c(CCO)c(n2)Cl)Cl	237
+Nc1c(Cl)nn(-c2cccnc2)c1	209
+n1c(c(ccc1)CO)-c2ccc(cc2F)F	295
+O(c1c(cccn1)CO)C	295
+n1cccc(F)c1-c2nc(C(=O)O)c(nc2)N	1
+C(=O)(C(C)Cc1cc2cc(ccc2[nH]1)OCCCNc3ncccc3)O	4
+c1c2nnc(n2ccc1)-c3nc4c(cc3)cc(cc4Br)F	2149
+n1cccnc1-c2ccc(cc2)C#CC=O	2628
+n1cccnc1-n2cc(C(=O)O)c(N)n2	6
+n1cccnc1N2CCN(CC2)C3Cc4c(cccc4O)CC3	5
+C1CN(CCN1c2ncccn2)c3ncc4c(n3)SCC(=O)N4	2044
+C1NC(NCC1)=NCCCOc2ccc3c(c2)Cc4c(C(C3)CC(OCC)=O)cccc4	11207
+c1nc(ncc1)NCCN2CCC(N)C(O)C2	273
+c1nc(ncc1)Nc2scc(-c3c[nH]nc3-c4cc(F)ccc4OC)n2	1613
+n1ccn(-c2ccc(cc2N)C3=C(C(NC3)=O)C)c1C	0
+n1ncn2CCNCc12	4057
+Cc1c2c(ccc1)cncn2	511
+n1c(Br)cc(C(=O)O)n1-c2c(Cl)cccc2	1
+n1n(C)c(C)cc1C#N	331
+n1n(c(N)cc1C(=O)OC)C	161
+n1c(N)cc(n1C)COC	161
+n1n(C)cc(N)c1C(=O)N	209
+n1c(N)ccn1CCC	161
+c1(C=O)cc2c(cc1)n(nn2)CCCC	39
+n1cc(N)cn1CCNc2ccc(cn2)F	209
+n1n(Cc2ncccc2)c3ccc(N)cc3c1	0
+n1c(N)cnn1Cc2occ(n2)COC	1901
+c1(c2c(c(nn2C)CCC)nc(n1)-c3ccccc3OCC=C)O	5107
+c1(c2c(c(nn2C)CCC)nc(n1)-c3ccccc3OCCC)O	5107
+n1n(c2c(c1I)cc(N)cn2)C	13
+n1n(CCNc2ccc(cn2)F)cc([N+]([O-])=O)c1	15
+n1cc(N)cn1CC(NC(C)CO)=O	209
+c1n(-c2ccc(c(C)c2)C)nc(N)c1	161
+n1n2CCCC(c2c(N)c1C(=O)N)=O	209
+n1n2CCOCc2cc1CO	194
+n1n2CCOCc2cc1C=O	178
+n1c(N)cc2n1CCOC2	161
+n1n2c(c(Br)ccc2)nc1N	982
+n1n2c(c(O)ccc2)nc1N	982
+n1n2c(cc(Cl)cc2)nc1N	982
+n1n2c(sc1C)nc(CC(=O)O)c2	3
+n1nc(C2CCCO2)nc(c1C(CC)N)O	524
+c1(ccccc1Oc2cnnc(O)c2)C(C)=O	3149
+n1nncn1-c2cc(cc(-c3ccccc3OC)c2)C(=O)O	1
+n1nncn1-c2ccc3c(CCCC3C(=O)O)c2	4
+c1(cc(ccc1)-c2c(c(sn2)C(O)=O)C(O)=O)C	1
+c1c2nsnc2ccc1O	5
+o1c(-c2cc(CO)ccc2)ccc1Br	59
+o1c(Br)cc(c1C)C=O	5108
+o1c(Br)cc(CO)c1C	4414
+o1c2cccc(c2c(c1CC)C)O	2361
+o1c(C(=O)O)cc(-c2ccnn2C)c1C	1
+o1c(cc(c1C)C=O)C(=O)OC	5108
+o1c(cc2c1cc(cc2O)C(=O)OCC)CC	173
+o1c(nc(c1CC)C(O)=O)N2CC(C(CC2)NC(c3[nH]c(c(CC)n3)Cl)=O)OCCC	5095
+o1c(c(c2c1ccc(Br)c2OC)C)CO	2184
+o1c2cc(c(F)cc2c3cc(C#N)ccc13)O	5
+C(CO)c1c2ccc(cc2oc1)O	95
+o1c2cccc(CCCOC)c2c(C)c1C(=O)OCC	213
+o1c2cccc(CCCOC)c2c(c1C(=O)O)C	6
+c1c(CCCOC)c2c(c(oc2cc1)CO)C	2184
+o1c2cccc(OC)c2c(c1C(=O)O)C	6
+o1c2c(c(c1CC)C)c(O)c(cc2)CC=C	423
+O=Cc1oc2cccc(c2c1)Br	2180
+c1(CO)occ(C(=O)OC)n1	59
+C(CCC=CCCC(=O)c1occc1)(OC)=O	2444
+o1nc(c(C(=O)O)c1N)-c2cc(F)ccc2	1
+C(CCc1nc(on1)C=Cc2ccc(OC)c(c2)O)CCCCC	5
+o1nc(cc1-c2cc(CCC(O)C)ccc2)C(=O)OC	100
+c1cc([N+]([O-])=O)cc2Oc3sc(cc3C(=O)Nc12)C	11208
+s1c(nc2-c3c(ccc(N)c3)CCc12)Cc4nc[nH]c4	0
+s1c2c(nccc2Oc3ccc(N)cc3F)cc1-c4cc(ccc4)OCCCCl	0
+s1c2c(nccc2Oc3ccc(N)cc3F)cc1-c4ccc(CCN5CCCC5=O)cn4	0
+s1c2c(nccc2Oc3ccc(N)cc3F)cc1-c4ccc(CN5CCOCC5=O)cn4	0
+s1c2c(nccc2Oc3ccc(N)cc3F)cc1-c4cn(cn4)CCC	0
+C(O)CCc1ncsc1	237
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/assets/composite.manifest.json b/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/assets/composite.manifest.json
new file mode 100644
index 0000000000000000000000000000000000000000..8cddd7c83ae5182cf3fb03febc35f4608a18b2a5
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/assets/composite.manifest.json
@@ -0,0 +1,10 @@
+{
+  "input_sha256": "655e5f6da04b55795c554428c4ff986f372b189588e39ce371cffa53f1c899d5",
+  "policy_compatibility": "requires this exact ordered vocabulary",
+  "preserve_stereo": false,
+  "reaction_indices_semantics": "zero-based unique product/rule training-pair indices",
+  "rule_count": 2322,
+  "rules_sha256": "ad1f67943fcf550b8b5f1353d605ef541da9e01585aabaa7821642d3eeb59558",
+  "schema": "synplan-rules/2",
+  "stereo_schema": 1
+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/assets/composite.tsv b/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/assets/composite.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..12c915b4d5b52952604a385cbdff2f46485e5b72
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/assets/composite.tsv
@@ -0,0 +1,2323 @@
+rule_smarts	popularity	reaction_indices
+[Br:1]-[C:2]-[c:3]>>[Br:1]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:2](-[c:3])=[O:8]	1	0
+[C:1]#[C:2]-[C:3]-[C:4](-[C:5])(-[C:6])-[O:7]-[Si:8](-[C:9])(-[C:10])-[C:11]>>[Si:8](-[C:9])(-[C:10])(-[C:11])-[Cl:13].[C:4](-[C:5])(-[C:6])=[O:7].[C:1]#[C:2]-[C:3]-[Br:12]	1	1
+[C:1]#[C:2]-[C:3]-[O:4]-[c:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:[n:10]:1>>[C:1]#[C:2]-[C:3]-[O:4].[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[n:10]:1)-[O:11]	1	2
+[C:1]#[C:2]-[C:3]>>[C:2](-[C:3])(=[O:4])-[O:16]-[C:17].[C:1]-[C:5](=[O:6])-[C:7](-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:13])=[N+:14]=[N-:15]	1	3
+[C:1]#[C:2]-[C:3]>>[C:2](-[C:3])-[O:15].[C:1](-[P:4](-[O:5]-[C:6])(=[O:7])-[O:8]-[C:9])(=[N+:10]=[N-:11])-[C:12](-[C:13])=[O:14]	1	4
+[C:1]#[C:2]-[C:3]>>[C:2](-[C:3])-[O:4].[C:1]-[C:5](=[O:6])-[C:7](-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:13])=[N+:14]=[N-:15]	1	5
+[C:1]#[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]#[C:2]-[Si:6](-[C:7])(-[C:8])-[C:9].[c:3](:[c:4])(:[c:5])-[I:10]	3	6,7,8
+[C:1]#[C:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[C:1]#[C:2]-[Si:8](-[C:9])(-[C:10])-[C:11].[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Br:12]	1	9
+[C:1]#[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:12].[C:1]#[C:2]-[Si:8](-[C:9])(-[C:10])-[C:11]	1	10
+[C:1](#[C:2]-[c:3](:[c:4]):[c:5])-[Si:7](-[C:6])(-[C:8])-[C:9]>>[C:1](#[C:2])-[Si:7](-[C:6])(-[C:8])-[C:9].[c:3](:[c:4]):[c:5]	1	11
+[C:1](#[C:2]-[c:3](:[c:4]:[n:5]):[c:6])-[Si:8](-[C:7])(-[C:9])-[C:10]>>[C:1](#[C:2])-[Si:8](-[C:7])(-[C:9])-[C:10].[c:3](:[c:4]:[n:5]):[c:6]	1	12
+[C:1](-[C:2](-[F:3])=[C:4]-[C:5])=[O:6]>>[C:1](-[C:2](-[F:3])=[C:4]-[C:5])(=[O:6])-[O:7]-[C:8]-[C:9]	1	13
+[C:1](-[C:2](=[O:3])-[N:4]-[C:5])-[C:6](=[O:7])-[N:8]>>[C:1](-[C:2](=[O:3])-[O:9]-[C:10]-[C:11])-[C:6](=[O:7])-[N:8].[N:4]-[C:5]	1	14
+[C:1](-[C:2](=[O:3])-[O:13])-[c:5]:1:[c:4](:[n:12]:[c:8](:[n:7]:[n:6]:1)-[c:9](:[n:10]):[c:11])-[O:14]>>[C:1](-[C:2](=[O:3])-[O:13])-[C:5](-[C:4](=[O:14])-[O:15]-[C:16])=[O:17].[N:6]-[N:18].[N:7]-[C:8](-[c:9](:[n:10]):[c:11])=[N:12]	1	15
+[C:1](-[C:2](=[O:3])-[O:4])(-[C:5](=[O:6])-[c:7])-[C:9](-[O:8])=[O:10]>>[C:1](-[C:2](=[O:3])-[O:4])-[C:9](-[O:8])=[O:10].[C:5](=[O:6])(-[c:7])-[O:11]	1	16
+[C:1](-[C:2])(-[C:3])-[O:8]-[S:5](-[C:4])(=[O:6])=[O:7]>>[C:1](-[C:2])(-[C:3])=[O:8].[C:4]-[S:5](=[O:6])(=[O:7])-[Cl:9]	1	17
+[C:1](-[C:2])(-[N:3]-[c:4])=[O:5]>>[C:1](-[C:2])(=[O:5])-[O:6]-[C:7].[N:3]-[c:4]	1	18
+[C:1](-[C:2])(-[c:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[C:1](-[C:2])(-[c:3])=[O:8]	2	19,20
+[C:1](-[C:2])-[Br:3]>>[Br:3]-[C:4](-[Br:13])(-[Br:14])-[Br:15].[C:1](-[C:2])-[O:5]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	21
+[C:1](-[C:2])-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1](-[C:2])(=[O:8])-[O:9]-[C:10]-[C:11]	2	22,23
+[C:1](-[C:2])-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1](-[C:2])-[O:8]-[C:9](-[C:10])=[O:11]	1	24
+[C:1](-[C:2])-[Cl:3]>>[C:1](-[C:2])-[O:7]-[C:8].[Cl:3]-[S:4](=[O:5])-[Cl:6]	1	25
+[C:1](-[C:2])-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1](-[C:2])(-[O:7]-[C:8])=[O:9]	1	26
+[C:1](-[C:2])-[O:3]-[C:4]>>[C:1](-[C:2])(-[O:3])=[O:5].[C:4]-[I:6]	1	27
+[C:1](-[C:2])-[O:3]>>[C:1](-[C:2])(-[O:3])=[O:4]	1	28
+[C:1](-[C:2])-[O:3]>>[C:1](-[C:2])(-[O:3]-[C:4])=[O:5]	3	29,30,31
+[C:1](-[C:2])-[O:3]>>[C:1](-[C:2])(-[O:3]-[C:5])=[O:4]	3	32,33,34
+[C:1](-[C:2])-[O:3]>>[C:1](-[C:2])(-[O:3]-[C:5]-[C:4])=[O:6]	1	35
+[C:1](-[C:2])-[O:3]>>[C:1](-[C:2])(=[O:3])-[O:4]	2	36,37
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1](-[C:2])(-[O:7]-[C:10]-[C:9])=[O:11].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8]	1	38
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1](-[C:2])(-[O:7]-[C:9])=[O:10].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8]	1	39
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1](-[C:2])(=[O:7])-[O:8].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9]	1	40
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:10].[C:1](-[C:2])(=[O:7])-[O:8]-[C:9]	1	41
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8].[C:1](-[C:2])(=[O:7])-[O:9]	1	42
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8].[C:1](-[C:2])=[O:7]	1	43
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9].[C:1](-[C:2])(-[O:7])=[O:8]	1	44
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9].[C:1](-[C:2])(=[O:7])-[O:8]	1	45
+[C:1](-[C:2])=[O:3]>>[C:1](-[C:2])(-[O:3])=[O:4]	2	46,47
+[C:1](-[C:2])=[O:3]>>[C:1](-[C:2])(-[O:3]-[C:4])=[O:5]	1	48
+[C:1](-[C:2])=[O:3]>>[C:1](-[C:2])(-[O:3]-[C:5])=[O:4]	1	49
+[C:1](-[C:2])=[O:3]>>[C:1](-[C:2])(=[O:3])-[O:4]	1	50
+[C:1](-[C:2])=[O:3]>>[C:1](-[C:2])(=[O:3])-[O:4]-[C:5]	1	51
+[C:1](-[C:2])=[O:3]>>[C:1](-[C:2])-[O:3]-[C:4]	1	52
+[C:1](-[C:2])=[O:3]>>[C:1](-[C:2])-[O:3]-[C:4]-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1	1	53
+[C:1](-[C:2]-[C:3])-[O:4]>>[O:4]-[O:25].[C:2](-[C:3])-[O:5].[C:1]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	1	54
+[C:1](-[C:2]-[C:3])-[O:4]>>[O:4]-[O:25].[C:2](-[C:3])=[O:5].[C:1]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	1	55
+[C:1](-[C:2]-[C:3]-[c:4](:[c:5]):[c:6])(=[O:7])-[O:8]>>[C:1](-[C:2]=[C:3])(=[O:7])-[O:8].[c:4](:[c:5])(:[c:6])-[Br:9]	1	56
+[C:1](-[C:2]-[C:3]-[c:4])-[O:5]>>[C:1](-[C:2]=[C:3]-[c:4])(=[O:5])-[O:8]-[C:7]-[C:6]	1	57
+[C:1](-[C:2]-[C:4](-[N:3])=[O:5])-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9]>>[C:6]-[S:7](=[O:8])(=[O:9])-[Cl:14].[C:1](-[C:2]-[C:4](-[N:3])=[O:5])(=[O:10])-[O:11]-[C:12]-[C:13]	1	58
+[C:1](-[C:2]-[O:3]-[c:4])=[O:5]>>[O:3]-[c:4].[C:1](-[C:2])=[O:5]	1	59
+[C:1](-[C:2]=[C:3]-[c:4])-[O:5]>>[C:3](-[c:4])=[O:9].[C:1](-[C:2]=[P:10](-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)(-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2)-[c:23]:3:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:3)(=[O:5])-[O:8]-[C:7]-[C:6]	1	60
+[C:1](-[C:2]=[O:3])-[N:4](-[C:5])-[C:6](=[O:7])-[N:8]-[c:9](:[n:10]):[s:11]>>[N:8]-[c:9](:[n:10]):[s:11].[C:1](-[C:2]=[O:3])-[N:4]-[C:5].[C:6](=[O:7])(-[Cl:12])-[Cl:13]	1	61
+[C:1](-[N:2](-[C:3])-[C:4])#[N:6]>>[N:2](-[C:3])(-[C:4])-[C:5](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:1](#[N:6])-[Br:7]	1	62
+[C:1](-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[C:7]-1=[O:8])-[C:9](=[O:10])-[N:11]>>[C:1](-[N:2])-[C:9](=[O:10])-[N:11].[C:3](-[O:4]-[C:14])(-[c:5]:[c:6]-[C:7](=[O:8])-[O:13])=[O:12]	1	63
+[C:1](-[N:2]-[C:3](-[C:4])=[O:5])-[C:6](=[O:7])-[N:8]>>[C:1](-[N:2]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15])-[C:6](=[O:7])-[N:8].[C:3](-[C:4])(=[O:5])-[Cl:16]	1	64
+[C:1](-[N:2]-[C:3](=[O:4])-[C:5])-[C:6](=[O:7])-[O:8]>>[C:1](-[N:2])-[C:6](=[O:7])-[O:8].[C:3](=[O:4])(-[C:5])-[O:9]-[C:10]	1	65
+[C:1](-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7])-[C:8](=[O:9])-[N:10]>>[C:1](-[N:2]-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17])-[C:8](=[O:9])-[N:10].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:18]	1	66
+[C:1](-[N:2]-[C:3](=[O:4])-[c:5])-[C:6](=[O:7])-[O:8]>>[C:1](-[N:2])-[C:6](=[O:7])-[O:8].[C:3](=[O:4])(-[c:5])-[O:9]-[C:10]	1	67
+[C:1](-[N:2]-[C:3])(-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:9]>>[C:1](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])(=[O:9])-[O:10]-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[N:2](-[C:3])=[N+:18]=[N-:19]	1	68
+[C:1](-[N:2]-[C:3]-[C:4])(-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:10]>>[C:5]-[C:6](-[C:7])(-[C:8])-[O:9].[N:2](=[N+:14]=[N-:15])-[P:16](=[O:17])(-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1)-[c:24]:2:[c:25]:[c:26]:[c:27]:[c:28]:[c:29]:2.[C:1](-[C:3]-[C:4])(=[O:10])-[O:11]-[C:12]-[C:13]	1	69
+[C:1](-[O:2])-[C:3]-[N:4](-[C:5])-[C:6]>>[C:1]-1-[O:2]-[C:3]-1.[N:4](-[C:5])(-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	70
+[C:1](-[O:2])-[c:3](:[n:4]):[c:5]>>[O:2]-[O:6]-[C:7](=[O:8])-[c:9]:1:[c:10]:[c:11](:[c:12]:[c:13]:[c:14]:1)-[Cl:15].[C:1]-[c:3](:[n:4]):[c:5]	1	71
+[C:1](-[c:2](:[c:3]):[c:4])(-[C:5])-[O:6]>>[C:1](-[C:5])(=[O:6])-[N:7](-[O:8]-[C:9])-[C:10].[c:2](:[c:3])(:[c:4])-[Br:11]	1	72
+[C:1](-[c:2](:[c:3]):[c:4])(-[C:5])-[O:6]>>[C:1](-[C:5])(=[O:6])-[O:8]-[C:9]-[C:10].[c:2](:[c:3])(:[c:4])-[Br:7]	1	73
+[C:1](-[c:2](:[c:3]):[c:4])(-[C:5])=[O:6]>>[C:1](-[C:5])(=[O:6])-[O:8]-[C:9]-[C:10].[c:2](:[c:3])(:[c:4])-[Br:7]	1	74
+[C:1](-[c:2](:[c:3]):[c:4])(-[C:5])=[O:6]>>[C:1](-[C:5])(=[O:6])-[O:9].[c:2](:[c:3])(:[c:4])-[Mg:7]-[Br:8]	1	75
+[C:1](-[c:2](:[c:3]):[c:4])(-[c:5])=[O:6]>>[C:1](-[c:5])(=[O:6])-[O:9].[c:2](:[c:3])(:[c:4])-[Mg:7]-[Br:8]	1	76
+[C:1](-[c:2](:[c:3]):[c:4])-[O:5]>>[C:1](=[O:5])-[N:6](-[C:7])-[C:8].[c:2](:[c:3])(:[c:4])-[Br:9]	1	77
+[C:1](-[c:2](:[c:3]):[n:4])=[O:5]>>[C:1](-[c:2](:[c:3]):[n:4])(=[O:5])-[O:6]-[C:7]-[C:8]	2	78,79
+[C:1](-[c:2](:[c:3]:[n:4]):[n:5])=[O:6]>>[C:1](-[c:2](:[c:3]:[n:4]):[n:5])(=[O:6])-[O:7]-[C:8]-[C:9]	1	80
+[C:1](-[c:2])(-[c:3](:[c:4]):[c:5])=[O:6]>>[C:1](-[c:2])=[O:6].[c:3](:[c:4])(:[c:5])-[Br:7]	1	81
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[Br:4].[C:1](-[c:2])=[O:5]	2	82,83
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[C:1](-[c:2])=[O:7]	2	84,85
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[P:4](-[Br:7])-[Br:8].[C:1](-[c:2])(-[O:5])=[O:6]	1	86
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[P:4](-[Br:7])-[Br:8].[C:1](-[c:2])(=[O:5])-[O:6]	1	87
+[C:1](-[c:2])-[Br:3]>>[Br:3].[C:1](-[c:2])(-[O:4])=[O:5]	1	88
+[C:1](-[c:2])-[Br:3]>>[Br:3].[C:1](-[c:2])(=[O:4])-[O:5]-[C:6]-[C:7]	1	89
+[C:1](-[c:2])-[Br:4]>>[Br:4]-[N:8]-1-[C:6](-[C:5]-[C:11]-[C:9]-1=[O:10])=[O:7].[C:1](-[c:2])=[O:3]	1	90
+[C:1](-[c:2])-[Cl:3]>>[C:1](-[c:2])(=[O:6])-[O:7]-[C:8].[Cl:3]-[C:4]-[Cl:5]	1	91
+[C:1](-[c:2])-[Cl:3]>>[C:1](-[c:2])(=[O:8])-[O:9]-[C:10]-[C:11].[Cl:3]-[S:5](=[O:4])(-[C:6])=[O:7]	1	92
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[S:4](-[Cl:7])=[O:8].[C:1](-[c:2])(=[O:5])-[O:6]	1	93
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1](-[c:2])(-[O:7])=[O:8]	1	94
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1](-[c:2])=[O:7]	1	95
+[C:1](-[c:2])-[O:3]>>[C:1](-[c:2])(-[O:3]-[C:4])=[O:5]	2	96,97
+[C:1](-[c:2])-[O:3]>>[C:1](-[c:2])-[Br:7].[O:3]-[C:5](-[C:4])=[O:6]	1	98
+[C:1](-[c:2])-[c:4](:[c:3]):[c:5]>>[C:1](-[c:2])(=[O:6])-[O:7].[c:3]:[c:4]:[c:5]	1	99
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(-[O:3])=[O:4]	2	100,101
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(-[O:3]-[C:4])=[O:5]	1	102
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(=[O:3])-[O:4]	1	103
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(=[O:3])-[O:4]-[C:5]	2	104,105
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(=[O:3])-[O:4]-[C:5]-[C:6]	1	106
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])-[Br:7].[O:3]-[C:5](-[C:4])=[O:6]	1	107
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])-[O:3]-[C:4]	1	108
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])-[O:3]-[C:4](-[C:5])=[O:6]	1	109
+[C:1](-[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1)=[O:7]>>[C:1]=[O:7].[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1	1	110
+[C:1](-[c:2]:[c:3]:[n:4])-[Cl:5]>>[C:1](-[c:2]:[c:3]:[n:4])(=[O:6])-[O:7]-[C:8]-[C:9].[Cl:5]-[S:10](=[O:11])-[Cl:12]	1	111
+[C:1](-[c:2]:[c:4]:[n:3])-[Cl:5]>>[C:1](-[c:2]:[c:4]:[n:3])(=[O:8])-[O:9]-[C:10].[Cl:5]-[C:6]-[Cl:7]	1	112
+[C:1](=[C:2]-[C:3](-[c:4](:[c:5]):[c:6])=[O:8])-[N:7]>>[C:2]=[C:3](-[O:8]-[C:13]-[C:14])-[Sn:15](-[C:16]-[C:17]-[C:18]-[C:19])(-[C:20]-[C:21]-[C:22]-[C:23])-[C:24]-[C:25]-[C:26]-[C:27].[C:1](-[N:7])(-[O:9]-[C:10])-[O:11]-[C:12].[c:4](:[c:5])(:[c:6])-[Br:28]	1	113
+[C:1](=[O:2])(-[C:3])-[Cl:4]>>[C:1](=[O:2])(-[C:3])-[O:8]-[C:9]-[C:10].[Cl:4]-[S:6](-[Cl:5])=[O:7]	1	114
+[C:1](=[O:2])(-[C:3])-[O:4]>>[C:1](-[O:2])-[C:3].[O:4]	1	115
+[C:1](=[O:2])(-[C:3]-1-[C:4]-[C:5](=[O:6])-[N:7](-[c:8])-[C:9]-1)-[O:11]-[C:10]>>[C:1](=[O:2])(-[C:3](-[C:4]-[C:5](-[O:6])=[O:13])=[C:9])-[O:12].[C:10]-[O:11].[N:7]-[c:8]	1	116
+[C:1](=[O:2])(-[C:3]-[C:4](=[O:5])-[N:6]-[c:7])-[O:8]>>[C:1](=[O:2])(-[C:3]-[C:4](=[O:5])-[Cl:9])-[O:8].[N+:6](-[c:7])(=[O:10])-[O-:11]	1	117
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+[C:1](=[O:2])(-[C:3]-[O:4]-[C:5])-[O:7]>>[C:1](=[O:2])(-[C:3]-[Br:8])-[O:7].[O:4](-[C:5])-[C:6](-[C:9])=[O:10]	1	119
+[C:1](=[O:2])(-[N:3]-[c:4]:[c:5]:[n:6])-[O:9]>>[N+:3](-[c:4]:[c:5]:[n:6])(=[O:7])-[O-:8].[C:1](=[O:2])(-[O:9])-[Cl:10]	1	120
+[C:1](=[O:2])(-[c:3](:[c:4]):[n:5])-[O:6]>>[C:1](-[O:2]-[C:7]-[C:8])(-[c:3](:[c:4]):[n:5])-[O:9]-[C:10]-[C:11].[O:6]-[O:12]-[S:13](=[O:14])-[O:15]	1	121
+[C:1](=[O:2])(-[c:3](:[c:4]):[s:5])-[Cl:6]>>[Cl:6]-[C:7](-[C:8](=[O:9])-[Cl:10])=[O:11].[C:1](=[O:2])(-[c:3](:[c:4]):[s:5])-[O:12]-[C:13]	2	122,123
+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[C:1](=[O:2])(-[c:3])-[O:8]-[C:9]-[C:10].[Cl:4]-[S:6](-[Cl:5])=[O:7]	1	124
+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[Cl:4]-[S:5](-[Cl:6])=[O:10].[C:1](=[O:2])(-[c:3])-[O:7]-[C:8]-[C:9]	1	125
+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[C:1](=[O:2])(-[c:3])-[O:8]-[C:9]	1	126
+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[C:1](=[O:2])(-[c:3])-[O:8]-[C:9]-[C:10]	1	127
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1)-[O:8]>>[O:8]=[C:9](-[C:10])-[C:11].[C:1](=[O:2])(-[C:13](-[Cl:12])(-[Cl:14])-[Cl:15])-[Cl:16].[c:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1	1	128
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1)-[O:8]>>[C:1](=[O:2])(-[C:12](-[F:9])(-[F:10])-[F:11])-[O:13]-[C:14](-[C:15](-[F:16])(-[F:17])-[F:18])=[O:19].[O:8].[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1	1	129
+[C:1](=[O:2])(-[c:3]:1:[n:4]:[o:5]:[c:6](-[c:7]):[c:8]:1)-[O:9]>>[C:1](=[O:2])(-[C:3](=[O:11])-[O:12]-[C:13]-[C:14])-[O:9].[N:4]-[O:5].[C:6](-[c:7])(-[C:8])=[O:10]	1	130
+[C:1](=[O:2])(-[c:3]:[c:5]:[n:4])-[N:7](-[O:6])-[C:8]>>[C:1](=[O:2])(-[c:3]:[c:5]:[n:4])-[O:9]-[C:10]-[C:11].[O:6]-[N:7]-[C:8]	1	131
+[C:1](=[O:2])-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1](=[O:2])-[C:3]	1	132
+[C:1](=[O:2])-[O:3]-[C:4]-[c:5]>>[C:1](=[O:2])-[O:3]-[C:6].[C:4](-[c:5])-[Br:7]	1	133
+[C:1](=[O:2])-[O:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[O:8].[C:1](=[O:2])-[O:3]-[C:7]	1	134
+[C:1](=[O:2])-[c:3]>>[C:1](=[O:2])(-[c:3])-[O:4]	1	135
+[C:1](=[S:2])=[N:3]-[c:4]>>[C:1](=[S:2])(-[Cl:5])-[Cl:6].[N+:3](-[c:4])(=[O:7])-[O-:8]	2	136,137
+[C:1]-1-[C:2](-[O:3]-1)(-[C:4])-[C:5]>>[C:2]-1(-[O:3]-[C:9]-[C:10]-[O:11]-1)(-[C:4])-[C:5].[C:1]-[S:6](-[C:7])=[O:8]	1	138
+[C:1]-1-[C:2]-[N:3](-[C:4])-[C:5](-[C:6]-[O:7]-1)=[O:8]>>[C:5](-[C:6]-[Cl:9])(=[O:8])-[Cl:10].[C:1](-[C:2]-[N:3]-[C:4])-[O:7]	1	139
+[C:1]-1-[N:2]-[C:3](=[O:4])-[C:5](-[c:6])=[C:7]-1-[O:8]>>[C:1](-[N:2])-[C:7](=[O:8])-[O:10]-[C:9].[C:3](=[O:4])(-[C:5]-[c:6])-[O:11]	1	140
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]:[c:6]:[s:8]):[c:7]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5]:[c:6]:[s:8])(:[c:7])-[O:9]	1	141
+[C:1]-[C:2]#[N:3]>>[C:1]-[C:2](=[O:4])-[O:5]-[C:6].[N:3]	1	142
+[C:1]-[C:2]#[N:3]>>[C:1]-[C:2](=[O:4])-[O:5].[N:3]	4	143,144,145,146
+[C:1]-[C:2]#[N:3]>>[N:3].[C:1]-[C:2](=[O:4])-[O:5]	2	147,148
+[C:1]-[C:2]#[N:3]>>[N:3].[C:1]-[C:2](=[O:4])-[O:5]-[C:6]	1	149
+[C:1]-[C:2](-[C:3]#[N:4])-[C:5]>>[C:1]-[C:2](-[C:5])-[O:6].[C:3]#[N:4]	1	150
+[C:1]-[C:2](-[C:3]#[N:4])-[C:5]>>[C:1]-[C:2](-[C:5])=[O:17].[C-:3]#[N+:4]-[C:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13]	1	151
+[C:1]-[C:2](-[C:3]#[N:5])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:17].[C-:3]#[N+:5]-[C:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13]	1	152
+[C:1]-[C:2](-[C:3]#[N:5])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:17].[C-:3]#[N+:5]-[C:9]-[S:6](=[O:7])(=[O:8])-[c:16]:1:[c:10]:[c:11]:[c:13](-[C:12]):[c:14]:[c:15]:1	1	153
+[C:1]-[C:2](-[C:3])(-[C:4](=[O:5])-[c:6])-[N:7](-[C:8])-[C:9]>>[C:1]-[C:2](-[C:3])(-[C:4](-[c:6])=[O:11])-[Br:12].[N:7](-[C:8])-[C:9].[O:5]-[C:10]	1	154
+[C:1]-[C:2](-[C:3])(-[C:4](=[O:5])-[c:6])-[N:7](-[C:8])-[C:9]>>[N:7](-[C:8])-[C:9].[C:1]-[C:2](-[C:3])-[C:4](-[c:6])=[O:11].[O:5]-[C:10]	1	155
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N:8](-[C:9])(-[C:10])-[C:19]-[c:20]:1:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:1	4	156,157,158,159
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](=[O:13])-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18].[N:8](-[C:9])(-[C:10])-[C:19]-[c:20]:1:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:1	1	160
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[N:8](-[C:9])(-[C:10])-[C:19](-[O:20]-[C:21]-[C:22])=[O:23].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18]	1	161
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:11]-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:8](-[C:9])-[C:11](-[C:10])=[O:20]	1	162
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[C:11]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[C:9](-[C:10])=[O:20].[N:8]-[C:11]	1	163
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[C:11]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:8](-[C:9](-[C:10])=[O:20])-[C:11]	1	164
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[C:11]>>[N:8](-[C:9](-[C:10])=[O:20])-[C:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	165
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[c:11]>>[N:8](-[C:9](-[C:10])=[O:20])-[c:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](=[O:14])-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19]	1	166
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[c:10])-[C:11]>>[N:8](-[C:9](-[c:10])=[O:20])-[C:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	167
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[c:10])-[C:11]>>[N:8]-[C:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[C:9](-[c:10])(=[O:20])-[O:21]	1	168
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[c:9](:[c:10]):[c:11])-[C:12]>>[N:8]-[C:12].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[c:9](:[c:10])(:[c:11])-[F:21]	1	169
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N:8]#[C:9]-[C:10]	2	170,171
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-[C:10]>>[N:8]-[C:9](-[C:10])=[O:19].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18]	1	172
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:10]-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[N:8](-[C:9])-[C:18]-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1	1	173
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:9]:[c:11]:[n:10]>>[N+:8](-[c:9]:[c:11]:[n:10])(=[O:20])-[O-:21].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	174
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:9]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:10]-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[N+:8](-[c:9])(=[O:18])-[O-:19]	1	175
+[C:1]-[C:2](-[C:3])(-[C:4]-[N:5])-[N:6](-[C:7])-[C:8]>>[C:1]-[C:2](-[C:3])=[O:9].[N:6](-[C:7])-[C:8].[C:4]#[N:5]	1	176
+[C:1]-[C:2](-[C:3])(-[C:4]-[N:5]-[C:6](=[O:7])-[c:8])-[N:9](-[C:10])-[C:11]>>[C:1]-[C:2](-[C:3])=[O:12].[N:9](-[C:10])-[C:11].[C:4]#[N:5].[C:6](=[O:7])(-[c:8])-[Cl:13]	1	177
+[C:1]-[C:2](-[C:3])-[C:4]-[C:5](=[O:6])-[O:7]>>[C:4](-[C:5](=[O:6])-[O:7])-[P:8](-[O:9]-[C:10]-[C:11])(=[O:12])-[O:13]-[C:14]-[C:15].[C:1]-[C:2](-[C:3])=[O:16]	1	178
+[C:1]-[C:2](-[C:3])-[N:4](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]>>[C:6](=[O:7])(-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])-[O:14]-[C:15](-[O:16]-[C:17](-[C:18])(-[C:19])-[C:20])=[O:21].[C:1]-[C:2](-[C:3])=[O:13].[N:4]-[C:5]	1	179
+[C:1]-[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](-[C:3])-[O:7]	1	180
+[C:1]-[C:2](-[C:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](-[C:3])-[O:6]	1	181
+[C:1]-[C:2](-[C:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[C:1]-[C:2](-[C:3])=[O:8].[N+:4](-[c:5]:[c:7]:[n:6])(=[O:9])-[O-:10]	1	182
+[C:1]-[C:2](-[C:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[N+:4](-[c:5]:[c:7]:[n:6])(=[O:9])-[O-:10].[C:1]-[C:2](-[C:3])=[O:8]	1	183
+[C:1]-[C:2](-[C:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:7])-[O-:8].[C:1]-[C:2](-[C:3])=[O:6]	1	184
+[C:1]-[C:2](-[C:3])-[N:4]=[N+:6]=[N-:5]>>[C:1]-[C:2](-[C:3])-[O:7].[N-:4]=[N+:6]=[N-:5]	1	185
+[C:1]-[C:2](-[C:3])-[N:4]>>[C:1]-[C:2](-[C:3])-[O:7].[N-:4]=[N+:6]=[N-:5]	1	186
+[C:1]-[C:2](-[C:3])-[N:4]>>[N-:4]=[N+:6]=[N-:5].[C:1]-[C:2](-[C:3])-[O:7]-[S:8](-[C:9])(=[O:10])=[O:11]	1	187
+[C:1]-[C:2](-[C:3])-[O:4]-[c:5]>>[C:1]-[C:2](-[C:3])-[I:6].[O:4](-[c:5])-[C:7]	1	188
+[C:1]-[C:2](-[C:3])-[O:5]-[c:4]>>[C:1]-[C:2](-[C:3])-[O:6].[c:4]-[O:5]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	189
+[C:1]-[C:2](-[C:3])-[S:4]-[C:5](-[C:6])=[O:7]>>[C:1]-[C:2](-[C:3])-[O:8].[S:4]=[C:5](-[C:6])-[O:7]	1	190
+[C:1]-[C:2](-[C:3])=[O:4]>>[C:1]-[C:2](-[C:3])-[O:4]-[C:5](-[C:6])=[O:7]	2	191,192
+[C:1]-[C:2](-[C:3]-[C:4]#[C:5])(-[O:6]-[Si:7](-[C:8])(-[C:9])-[C:10])-[C:11]>>[Si:7](-[C:8])(-[C:9])(-[C:10])-[Cl:13].[C:3](-[C:4]#[C:5])-[Br:12].[C:1]-[C:2](=[O:6])-[C:11]	1	193
+[C:1]-[C:2](-[C:3]-[C:4]-[O:5])-[C:6]>>[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[O:9]-[C:8]-[C:7])-[C:6]	1	194
+[C:1]-[C:2](-[C:3]-[C:4]-[O:6])-[C:5]>>[C:1]-[C:2](=[C:3]-[C:4](=[O:6])-[O:9]-[C:8]-[C:7])-[C:5]	1	195
+[C:1]-[C:2](-[C:3]-[O:4])-[c:5]>>[C:1]-[C:2](-[c:5])=[O:6].[O:4]-[O:26].[C:3]-[P+:7](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	1	196
+[C:1]-[C:2](-[C:3]-[c:4])-[C:5]=[O:6]>>[C:1]-[C:2]-[C:5]=[O:6].[C:3](-[c:4])=[O:7]	1	197
+[C:1]-[C:2](-[C:3]=[O:4])-[C:5]>>[C:1]-[C:2](-[C:5])=[O:7].[C:3](-[O:4]-[C:6])-[P+:8](-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)(-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2)-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:3	1	198
+[C:1]-[C:2](-[N:3](-[C:4])-[C:5])-[C:6]>>[C:1]-[C:2](-[C:6])=[O:7].[N:3](-[C:4])(-[C:5])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	2	199,200
+[C:1]-[C:2](-[N:3](-[C:4])-[C:5])-[C:6]>>[C:1]-[C:2]-1(-[C:6])-[O:7]-[C:8]-[C:9]-[O:10]-1.[N:3](-[C:4])-[C:5]	1	201
+[C:1]-[C:2](-[N:3](-[C:4])-[C:5])-[C:6]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](-[C:6])-[O:7]	1	202
+[C:1]-[C:2](-[N:3](-[C:4])-[C:5])=[O:6]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9]	4	203,204,205,206
+[C:1]-[C:2](-[N:3])-[C:4]>>[C:1]-[C:2](-[C:4])-[O:7]-[S:8](-[C:9])(=[O:10])=[O:11].[N-:3]=[N+:6]=[N-:5]	3	207,208,209
+[C:1]-[C:2](-[N:3])-[C:4]>>[C:1]-[C:2](-[C:4])-[O:7].[N-:3]=[N+:6]=[N-:5]	3	210,211,212
+[C:1]-[C:2](-[N:3])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:12].[N:3]-[C:6]-[c:5]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	1	213
+[C:1]-[C:2](-[N:3])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:6].[N:3]-[O:5]	1	214
+[C:1]-[C:2](-[N:3])-[C:4]>>[N-:3]=[N+:6]=[N-:5].[C:1]-[C:2](-[C:4])-[O:7]-[S:8](-[C:9])(=[O:10])=[O:11]	1	215
+[C:1]-[C:2](-[N:3])-[C:4]>>[N:3]-[O:5].[C:1]-[C:2](-[C:4])=[O:6]	1	216
+[C:1]-[C:2](-[N:3])-[C:4]>>[N:3].[C:1]-[C:2](-[C:4])-[O:5]	1	217
+[C:1]-[C:2](-[N:3])-[c:4]>>[C:1]-[C:2](-[c:4])-[O:7].[N:3](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	2	218,219
+[C:1]-[C:2](-[N:3])-[c:4]>>[C:1]-[C:2](-[c:4])=[O:6].[N:3]-[O:5]	1	220
+[C:1]-[C:2](-[N:3])-[c:4]>>[N:3]-[O:5].[C:1]-[C:2](-[c:4])=[O:6]	2	221,222
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2](=[O:4])-[O:5]-[C:6]-[C:7].[N:3]	3	223,224,225
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2](=[O:4])-[O:5]-[C:6].[N:3]	4	226,227,228,229
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2](=[O:4])-[O:5].[N:3]	1	230
+[C:1]-[C:2](-[N:3])=[O:4]>>[N:3].[C:1]-[C:2](=[O:4])-[O:5]-[C:6]	1	231
+[C:1]-[C:2](-[N:3])=[O:4]>>[N:3].[C:1]-[C:2](=[O:4])-[O:5]-[C:6]-[C:7]	1	232
+[C:1]-[C:2](-[N:3])=[O:4]>>[N:3].[O:4].[C:1]-[C:2]#[N:5]	1	233
+[C:1]-[C:2](-[N:3])=[S:4]>>[C:1]-[C:2](=[O:24])-[O:25].[N:3].[S:4]=[P:6]-1(-[c:7]:2:[c:8]:[c:9]:[c:10](-[O:11]-[C:12]):[c:13]:[c:14]:2)-[S:15]-[P:16](-[c:17]:3:[c:5]:[c:23]:[c:20](:[c:19]:[c:18]:3)-[O:21]-[C:22])(=[S:26])-[S:27]-1	1	234
+[C:1]-[C:2](-[N:3])=[S:4]>>[C:1]-[C:2](=[O:26])-[O:27].[N:3].[S:4]=[P:6]-1(-[S:7]-[P:8](-[c:9]:2:[c:10]:[c:11]:[c:12](-[O:13]-[C:14]):[c:15]:[c:16]:2)(=[S:17])-[S:18]-1)-[c:19]:3:[c:5]:[c:25]:[c:22](:[c:21]:[c:20]:3)-[O:23]-[C:24]	1	235
+[C:1]-[C:2](-[N:3])=[S:4]>>[N:3].[C:1]-[C:2](=[O:26])-[O:27].[S:4]=[P:6]-1(-[S:7]-[P:8](-[c:9]:2:[c:10]:[c:11]:[c:12](-[O:13]-[C:14]):[c:15]:[c:16]:2)(=[S:17])-[S:18]-1)-[c:19]:3:[c:5]:[c:25]:[c:22](:[c:21]:[c:20]:3)-[O:23]-[C:24]	1	236
+[C:1]-[C:2](-[N:3]-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[C:11]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N-:3]=[N+:21]=[N-:20].[C:1]-[C:2](-[C:11])-[O:22]-[S:23](-[C:24])(=[O:25])=[O:26]	1	237
+[C:1]-[C:2](-[N:3]-[C:4])=[O:5]>>[C:1]-[C:2](=[O:5])-[O:6].[N:3]-[C:4]	1	238
+[C:1]-[C:2](-[N:3]-[C:4])=[O:5]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[O:6]-[C:7]-[C:8]	1	239
+[C:1]-[C:2](-[N:3]-[C:4])=[O:5]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	240
+[C:1]-[C:2](-[N:3]-[N:4]-[C:5](-[c:6])=[O:7])=[O:11]>>[N:3]-[N:4].[C:1]-[C:2](=[O:11])-[O:12].[C:5](-[c:6])(=[O:7])-[O:8]-[C:9]-[C:10]	1	241
+[C:1]-[C:2](-[N:3]-[N:4]-[C:5](-[c:6])=[O:7])=[O:8]>>[C:1]-[C:2](=[O:8])-[O:9].[N:3]-[N:4].[C:5](-[c:6])(=[O:7])-[O:10]-[C:11]-[C:12]	1	242
+[C:1]-[C:2](-[N:3]-[O:4])=[N:5]>>[C:1]-[C:2](-[N:5])=[O:6].[N:3]-[O:4]	1	243
+[C:1]-[C:2](-[N:3]-[O:4])=[N:5]>>[N:5].[N:3]-[O:4].[C:1]-[C:2](=[O:6])-[O:7]	1	244
+[C:1]-[C:2](-[N:3]-[S:4](-[C:5])(=[O:6])=[O:7])-[c:8]>>[C:1]-[C:2](-[c:8])=[O:9].[N:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:10]	1	245
+[C:1]-[C:2](-[N:3]-[c:4])-[C:5]>>[C:1]-[C:2](-[C:5])=[O:6].[N+:3](-[c:4])(=[O:7])-[O-:8]	1	246
+[C:1]-[C:2](-[N:3]-[c:4])=[O:5]>>[C:1]-[C:2](=[O:5])-[O:6].[N+:3](-[c:4])(=[O:7])-[O-:8]	1	247
+[C:1]-[C:2](-[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)=[O:10]>>[C:1]-[C:2](=[O:10])-[Cl:11].[N+:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)(=[O:9])-[O-:12]	1	248
+[C:1]-[C:2](-[N:3]=[N+:4]=[N-:5])-[C:6]>>[C:1]-[C:2](-[C:6])-[O:7].[N-:3]=[N+:4]=[N-:5]	2	249,250
+[C:1]-[C:2](-[N:3]=[N+:6]=[N-:5])-[C:4]>>[C:1]-[C:2](-[C:4])-[O:7].[N-:3]=[N+:6]=[N-:5]	4	251,252,253,254
+[C:1]-[C:2](-[O:3])(-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2](-[O:3])-[C:7].[c:4](:[c:5])(:[c:6])-[Br:8]	1	255
+[C:1]-[C:2](-[O:3])-[C:4](-[F:5])(-[F:6])-[F:7]>>[C:4](-[F:5])(-[F:6])(-[F:7])-[Si:8](-[C:9])(-[C:10])-[C:11].[C:1]-[C:2]-[O:3]	1	256
+[C:1]-[C:2](-[O:3])-[C:4]>>[C:1]-[C:2]-1(-[O:3]-[C:5]-[C:6]-[O:7]-1)-[C:4]	1	257
+[C:1]-[C:2](-[O:3])-[C:4]>>[C:2](-[O:3])-[C:4].[C:1]-[Mg:5]-[Br:6]	3	258,259,260
+[C:1]-[C:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Mg:7]-[Br:8].[C:1]-[C:2](=[O:3])-[N:9](-[O:10]-[C:11])-[C:12]	1	261
+[C:1]-[C:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Mg:7]-[Br:8].[C:1]-[C:2](=[O:3])-[O:9]	1	262
+[C:1]-[C:2](-[O:3])-[c:4](:[c:5]:[n:6]):[n:7]>>[C:2](-[O:3])-[c:4](:[c:5]:[n:6]):[n:7].[C:1]-[Mg:8]-[Br:9]	1	263
+[C:1]-[C:2](-[O:3]-[C:4](-[C:5])=[O:6])-[C:7]>>[C:4](-[C:5])(=[O:6])-[O:8]-[C:9](-[C:10])=[O:11].[C:1]-[C:2](=[O:3])-[C:7]	1	264
+[C:1]-[C:2](-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7])-[C:8]>>[C:1]-[C:2](=[O:3])-[C:8].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:9]	1	265
+[C:1]-[C:2](-[O:3]-[S:4](=[O:5])(=[O:6])-[c:7]:1:[c:8]:[c:9]:[c:10](-[C:11]):[c:12]:[c:13]:1)-[C:14]>>[C:1]-[C:2](=[O:3])-[C:14].[S:4](=[O:5])(=[O:6])(-[c:7]:1:[c:8]:[c:9]:[c:10](-[C:11]):[c:12]:[c:13]:1)-[Cl:15]	1	266
+[C:1]-[C:2](-[O:3]-[c:4])-[C:5]>>[C:1]-[C:2](-[C:5])-[O:6].[O:3]-[c:4]	1	267
+[C:1]-[C:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[C:2](-[C:6])=[O:7].[c:3](:[c:4])(:[c:5])-[Br:8]	2	268,269
+[C:1]-[C:2](-[c:3](:[c:4]):[c:5])-[O:6]>>[c:3](:[c:4])(:[c:5])-[Mg:7]-[Br:8].[C:1]-[C:2](=[O:6])-[N:9](-[O:10]-[C:11])-[C:12]	1	270
+[C:1]-[C:2](-[c:3](:[c:4]):[c:5])=[O:6]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9].[c:3](:[c:4]):[c:5]	1	271
+[C:1]-[C:2](-[c:3])-[C:4]>>[C:1]-[C:2](-[c:3])(-[C:4])-[O:5]	3	272,273,274
+[C:1]-[C:2](-[c:3])-[N:4]>>[N:4]-[O:5].[C:1]-[C:2](-[c:3])=[O:6]	1	275
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+[C:1]-[C:2](-[c:8]:1:[c:3]:[c:4]:[n:5]:[c:6]:[c:7]:1)=[O:9]>>[C:1]-[C:2]=[O:9].[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:[c:8]:1	1	278
+[C:1]-[C:2](=[C:3](-[C:4]#[N:5])-[C:6])-[N:7]>>[C:1]-[C:2](=[C:3](-[C:4](=[O:8])-[O:9])-[C:6])-[N:7].[N:5]	1	279
+[C:1]-[C:2](=[C:3](-[C:4](=[O:5])-[N:6]-[c:7])-[C:8])-[N:9]>>[C:1]-[C:2](=[C:3](-[C:4](=[O:5])-[O:10]-[C:11])-[C:8])-[N:9].[N:6]-[c:7]	1	280
+[C:1]-[C:2](=[C:3]-[C:4]-[N:5](-[C:6])-[C:7])-[C:8]>>[N:5](-[C:6])-[C:7].[C:1]-[C:2](=[C:3]-[C:4]-[O:9])-[C:8]	1	281
+[C:1]-[C:2](=[C:3]-[C:4]-[O:5]-[c:6])-[C:7]>>[C:1]-[C:2](-[C:3]=[C:4])(-[C:7])-[O:8].[O:5]-[c:6]	1	282
+[C:1]-[C:2](=[N:3]-[N:4]-[C:5](=[O:6])-[c:7])-[c:8]>>[C:5](=[O:6])(-[c:7])-[O:10]-[C:11].[N:3]-[N:4].[C:1]-[C:2](-[c:8])=[O:9]	1	283
+[C:1]-[C:2](=[N:3]-[O:5])-[c:4]>>[N:3]-[O:5].[C:1]-[C:2](-[c:4])-[O:6]	1	284
+[C:1]-[C:2](=[O:3])-[C:4](-[Br:5])-[O:6]-[c:7]>>[Br:5]-[Br:8].[C:1]-[C:2](=[O:3])-[C:4].[O:6]-[c:7]	1	285
+[C:1]-[C:2](=[O:3])-[C:4](-[Br:5])-[O:6]-[c:7]>>[Br:5]-[Br:9].[C:1]-[C:2](=[O:3])-[C:4]-[Br:8].[O:6]-[c:7]	1	286
+[C:1]-[C:2](=[O:3])-[C:4](-[O:5]-[c:6])-[Br:7]>>[Br:7]-[Br:8].[C:1]-[C:2](=[O:3])-[C:4].[O:5]-[c:6]	1	287
+[C:1]-[C:2](=[O:3])-[C:4](-[O:5]-[c:6])-[Br:8]>>[Br:8]-[Br:9].[C:1]-[C:2](=[O:3])-[C:4]-[Br:7].[O:5]-[c:6]	1	288
+[C:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6])-[C:7](=[O:8])-[O:9]-[C:10]>>[C:1]=[C:2]-1-[O:3]-[C:7](-[C:4]-1)=[O:8].[C:5](-[c:6])=[O:11].[O:9]-[C:10]	1	289
+[C:1]-[C:2](=[O:3])-[C:4]-[C:5]-[C:6](=[O:7])-[c:8](:[n:9]):[s:10]>>[C:1]-[C:2](=[O:3])-[N:11](-[O:12]-[C:13])-[C:14].[C:4](=[C:5])-[Mg:15]-[Br:16].[C:6](=[O:7])-[c:8](:[n:9]):[s:10]	1	290
+[C:1]-[C:2](=[O:3])-[C:4]-[C:5]-[C:6](=[O:7])-[c:8](:[n:9]):[s:10]>>[C:1]-[C:2](=[O:3])-[O:13].[C:4](=[C:5])-[Mg:11]-[Br:12].[C:6](=[O:7])-[c:8](:[n:9]):[s:10]	1	291
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+[C:1]-[C:2](=[O:3])-[C:4]=[C:5]-[C:6]>>[C:5](-[C:6])-[O:7].[C:1]-[C:2](=[O:3])-[C:4]-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:13]	1	294
+[C:1]-[C:2](=[O:3])-[C:4]=[C:5]>>[C:1]-[C:2](=[O:3])-[O:8].[C:4](=[C:5])-[Mg:6]-[Br:7]	1	295
+[C:1]-[C:2](=[O:3])-[C:4]>>[C:2](-[O:3])-[C:4].[C:1]-[Mg:5]-[Br:6]	1	296
+[C:1]-[C:2](=[O:3])-[C:4]>>[C:2](=[O:3])-[C:4].[C:1]-[Mg:5]-[Br:6]	2	297,298
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+[C:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[C:5](-[C:6](=[O:7])-[Cl:8])=[O:9].[C:1]-[C:2](=[O:3])-[O:10]-[C:11]	1	300
+[C:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[C:5](-[C:6](=[O:7])-[Cl:8])=[O:9].[C:1]-[C:2](=[O:3])-[O:10]-[C:11]-[C:12]	1	301
+[C:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[C:1]-[C:2](=[O:3])-[O:8]-[C:9]	1	302
+[C:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[C:1]-[C:2](=[O:3])-[O:8]-[C:9]-[C:10]	2	303,304
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5](-[C:6])-[C:7])-[C:8]>>[C:5](-[C:6])(-[C:7])=[O:10].[N:4]-[C:8].[C:1]-[C:2](=[O:3])-[Cl:9]	1	305
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6](-[C:7])-[c:8]>>[C:6](-[C:7])(-[c:8])=[O:10].[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:9]	1	306
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]>>[C:1]-[C:2](=[O:3])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14].[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]	1	307
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]>>[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9].[C:1]-[C:2](=[O:3])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	308
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](-[O:3]-[C:8])=[O:7].[N:4](-[C:5])-[C:6]	1	309
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8](-[C:9])=[O:10].[N:4](-[C:5])(-[C:6])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17]	3	310,311,312
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9].[N:4](-[C:5])-[C:6]	1	313
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7].[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	3	314,315,316
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7].[N:4](-[C:5])-[C:6]	1	317
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:1]-[C:2](=[O:3])-[Cl:7]	2	318,319
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:1]-[C:2](=[O:3])-[O:7]	3	320,321,322
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[C:1]-[C:2](=[O:3])-[O:7]	1	323
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[C:1]-[C:2](=[O:3])-[O:7]	1	324
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]	2	325,326
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]-[C:8]	2	327,328
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]	2	329,330
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9]	4	331,332,333,334
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[O:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9].[N:4](-[C:5])-[O:6]	1	335
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6](:[c:7]):[c:8]>>[C:1]-[C:2](=[O:3])-[Cl:9].[N:4]-[C:5].[c:6](:[c:7])(:[c:8])-[Br:10]	1	336
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](-[C:6])-[C:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9](=[O:10])-[C:11].[N:4].[C:5](-[C:6])(-[C:7])=[O:12]	1	337
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](=[C:6](-[N:7])-[N:8])-[C:10](-[N:9])=[O:11]>>[C:5](=[C:6](-[N:7])-[N:8])-[C:10](-[N:9])=[O:11].[C:1]-[C:2](=[O:3])-[O:12].[N:4](=[O:13])-[O:14]	1	338
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](=[C:6](-[N:7])-[N:8])-[C:10](-[N:9])=[O:11]>>[N:4](-[C:5](=[C:6](-[N:7])-[N:8])-[C:10](-[N:9])=[O:11])=[O:13].[C:1]-[C:2](=[O:3])-[O:12]	1	339
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](-[N:7])=[O:8]>>[C:1]-[C:2](=[O:3])-[O:9]-[C:10]-[C:11].[N:4]-[C:5]-[C:6](-[N:7])=[O:8]	1	340
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](-[N:7])=[O:8]>>[C:1]-[C:2](=[O:3])-[O:9].[N:4](-[C:5]-[C:6](-[N:7])=[O:8])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16]	2	341,342
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[N:8]>>[C:1]-[C:2](=[O:3])-[O:9]-[C:10].[N:4]-[C:5]-[C:6](=[O:7])-[N:8]	2	343,344
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[N:8]>>[N:4](-[C:5]-[C:6](=[O:7])-[N:8])-[C:10](=[O:11])-[O:12]-[C:13]-[C:14]-1-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]-1:3.[C:1]-[C:2](-[O:3])=[O:9]	1	345
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[N:4]-[C:5]-[C:6](=[O:7])-[O:8].[C:1]-[C:2](=[O:3])-[O:9]	1	346
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[N:4]-[C:5]-[C:6](=[O:7])-[O:8].[C:1]-[C:2](=[O:3])-[O:9]-[C:10]	2	347,348
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[Cl:6].[N:4](-[C:5])-[C:7](-[C:8])=[O:9]	1	349
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[C:5]	1	350
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8].[N:4]-[C:5]	2	351,352
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[N:4]-[C:5]	1	353
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[C:5]	2	354,355
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4](-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	2	356,357
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4](-[C:5])-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	1	358
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4](-[C:5])=[N+:7]=[N-:8]	1	359
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4](-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:1]-[C:2](=[O:3])-[O:6]	3	360,361,362
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4](-[C:5])=[N+:10]=[N-:11].[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])=[O:9]	1	363
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]	1	364
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]	2	365,366
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8]	4	367,368,369,370
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	371
+[C:1]-[C:2](=[O:3])-[N:4]-[N:5]-[C:6](=[O:7])-[N:8]-[C:9]>>[C:6](=[O:7])=[N:8]-[C:9].[C:1]-[C:2](=[O:3])-[O:10]-[C:11]-[C:12].[N:4]-[N:5]	1	372
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[O:5]	1	373
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5]-[C:9]-1-[C:8]-[C:7]-[C:6]-[C:11]-[O:10]-1.[C:1]-[C:2](=[O:3])-[O:12]	2	374,375
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5]-[C:9]-1-[C:8]-[C:7]-[C:6]-[C:11]-[O:10]-1.[C:1]-[C:2](=[O:3])-[O:12]-[C:13]-[C:14]	2	376,377
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8]	2	378,379
+[C:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[S:5]	1	380
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9](-[C:10])=[O:11].[N+:4](-[O:12])(-[O-:13])=[O:14].[c:5](:[c:6]):[c:7]	1	381
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9](-[C:10])=[O:11].[N+:4](=[O:12])(-[O-:13])-[O:14].[c:5](:[c:6]):[c:7]	1	382
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[n:7]>>[C:1]-[C:2](=[O:3])-[O:8].[N:4](-[c:5](:[c:6]):[n:7])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13](-[O:14]-[C:15]):[c:16]:[c:17]:1	2	383,384
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[n:9]:[c:8]:[c:7]>>[C:1]-[C:2](=[O:3])-[O:10].[c:5](:[c:6])(:[n:9]:[c:8]:[c:7])-[F:20].[N:4]-[C:17]-[c:16]:1:[c:15]:[c:14]:[c:13](-[O:12]-[C:11]):[c:19]:[c:18]:1	2	385,386
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9].[N:4]-[c:5](:[n:6]):[c:7]	1	387
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[N:4]-[c:5](:[n:6]):[c:7].[C:1]-[C:2](=[O:3])-[O:8]-[C:9]	2	388,389
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[C:1]-[C:2](=[O:3])-[O:8]-[C:9]	1	390
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[C:1]-[C:2](=[O:3])-[O:8].[N+:4](-[c:5]:[c:7]:[n:6])(=[O:9])-[O-:10]	1	391
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[Cl:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	9	392,393,394,395,396,397,398,399,400
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[Cl:6].[N:4](-[c:5])-[C:7](-[C:8])=[O:9]	2	401,402
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[c:5]	2	403,404
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])=[O:9].[N+:4](-[c:5])(=[O:10])-[O-:11]	6	405,406,407,408,409,410
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8].[N:4]-[c:5]	2	411,412
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[c:5]	5	413,414,415,416,417
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	2	418,419
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4]-[c:5]	1	420
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9].[N+:4](-[c:5])(=[O:6])-[O-:7]	1	421
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:10])-[O-:11].[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])=[O:9]	1	422
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:7])-[O-:8].[C:1]-[C:2](=[O:3])-[O:6]	1	423
+[C:1]-[C:2](=[O:3])-[N:5](-[O:4])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8].[O:4]-[N:5]-[C:6]	1	424
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[c:6](:[n:7]):[c:8])-[C:9]-1(-[Br:10])-[C:11](=[O:12])-[N:13]-[C:14]-1>>[C:1]-[C:2](=[O:3])-[O:15]-[C:16](-[C:17])=[O:18].[C:9]-1(-[Br:10])-[C:11](=[O:12])-[N:13]-[C:14]-1.[O:4]-[C:5]-[c:6](:[n:7]):[c:8]	1	425
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]>>[C:5](-[C:6])-[O:8].[C:1]-[C:2](=[O:3])-[O:4]-[C:7]	1	426
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6](:[c:7]):[n:8]>>[O:4]=[C:5](-[c:6](:[c:7]):[n:8])-[O:10]-[C:11]-[C:12].[C:1]-[C:2](=[O:3])-[Cl:9]	1	427
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[C:1]-[C:2](=[O:3])-[O:4].[C:5]-[c:6]	2	428,429
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8](-[C:9])=[O:10].[O:4]=[C:5]-[c:6]	1	430
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[C:5]-[c:6].[C:1]-[C:2](=[O:3])-[O:4]	1	431
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[O:4]=[C:5]-[c:6].[C:1]-[C:2](=[O:3])-[Cl:7]	1	432
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[C:1]-[C:2]#[N:6].[O:4]-[C:5].[O:3]	1	433
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]	2	434,435
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8]	1	436
+[C:1]-[C:2](=[O:3])-[O:4]-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11]>>[C:1]-[C:2](=[O:3])-[O:12]-[C:13]-[C:14].[O:4]-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11]	1	437
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]#[N:7].[O:4]-[C:6]-[C:5].[O:3]-[O:8]	1	438
+[C:1]-[C:2](=[O:3])-[S:4]-[C:5](-[C:6])-[C:7]>>[C:1]-[C:2](-[O:3])=[S:4].[C:5](-[C:6])(-[C:7])-[O:8]	1	439
+[C:1]-[C:2](=[O:3])-[S:4]-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])-[O:8].[C:1]-[C:2](-[O:3])=[S:4]	1	440
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]=[O:3].[c:4](:[c:5])(:[c:6])-[Mg:7]-[Br:8]	1	441
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Mg:7]-[Br:8].[C:1]-[C:2](=[O:3])-[O:9]	1	442
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5]):[c:6].[C:1]-[C:2](=[O:3])-[O:7]	1	443
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:7]:[n:6]>>[C:1]-[C:2]=[O:3].[c:4](:[c:5]):[c:7]:[n:6]	1	444
+[C:1]-[C:2](=[O:3])-[c:4]>>[C:1]-[Mg:5]-[Br:6].[C:2](-[O:3])(-[c:4])=[O:7]	1	445
+[C:1]-[C:2]-1(-[C:3])-[C:4](-[O:5]-[C:7])(-[c:6])-[O:8]-1>>[C:1]-[C:2](-[C:3])-[C:4](-[c:6])=[O:8].[O:5]-[C:7]	1	446
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]:[c:10]-1:[c:9]>>[C:1]-[C:2](-[C:3])=[C:4]-[C:5](=[O:6])-[Cl:11].[N:7]-[c:8]:[c:10]:[c:9]	1	447
+[C:1]-[C:2]-1(-[C:3]-[C:4]-[C:5](=[O:6])-[C:7]=[C:8]-1-[c:9])-[C:10]>>[C:3]=[C:4]-[C:5](=[O:6])-[C:7].[C:1]-[C:2](-[C:8](-[c:9])=[O:11])-[C:10]	2	448,449
+[C:1]-[C:2]-1(-[C:3]-[N:4]-[C:5](=[O:6])-[C:7]-1)-[C:8]>>[C:1]-[C:2](=[C:7]-[C:5](=[O:6])-[O:11]-[C:10]-[C:9])-[C:8].[C:3]-[N+:4](=[O:12])-[O-:13]	1	450
+[C:1]-[C:2]-1-[C:3]-[C:4](-[c:5])=[N:6]-[O:7]-1>>[C:1]-[C:2]=[C:3].[C:4](-[c:5])=[O:8].[N:6]-[O:7]	1	451
+[C:1]-[C:2]-1-[C:3]-[C:4](-[c:5])=[N:6]-[O:7]-1>>[C:1]-[C:2]=[C:3].[N:6]-[O:7].[C:4](-[c:5])=[O:8]	1	452
+[C:1]-[C:2]-1-[C:3]-[O:4]-1>>[O:4]-[O:25]-[C:26](=[O:27])-[c:28]:1:[c:29]:[c:30]:[c:31]:[c:32](-[Cl:33]):[c:34]:1.[C:3]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3.[C:1]-[C:2]=[O:24]	1	453
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[N:6]-[c:7])-[C:8](=[O:9])-[N:10]-[N:11]-1>>[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:12]-[C:13]-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[C:8](=[O:9])-[N:10]-[N:11]-1.[N:6]-[c:7]	1	454
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[N:6]-[c:7])-[C:8](=[O:9])-[N:10]-[N:11]-1>>[N+:6](-[c:7])(=[O:13])-[O-:14].[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:12])-[C:8](=[O:9])-[N:10]-[N:11]-1	1	455
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[Br:4].[C:1]-[C:2](-[O:5])=[O:6]	1	456
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2](-[O:8])=[O:9]	2	457,458
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2](-[O:8]-[C:10]-[C:11])=[O:9]	1	459
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2]-[O:8]-[C:9](-[C:10])=[O:11]	1	460
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2]-[O:8]-[C:9]-1-[C:10]-[C:11]-[C:12]-[C:13]-[O:14]-1	1	461
+[C:1]-[C:2]-[Br:3]>>[Br:3].[C:1]-[C:2]-[O:4]	1	462
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2]-[O:5].[C:3]#[N:4]	3	463,464,465
+[C:1]-[C:2]-[C:3](-[C:4](=[O:5])-[O:6]-[C:7])-[c:8]>>[O:6]-[C:7].[C:1]-[C:2]-[I:10].[C:3](-[C:4](=[O:5])-[O:9])-[c:8]	1	466
+[C:1]-[C:2]-[C:3](-[O:4])-[C:5]>>[C:1]-[C:2]-[Mg:6]-[Br:7].[C:3](-[O:4])-[C:5]	1	467
+[C:1]-[C:2]-[C:3](=[O:4])-[N:5]>>[C:3]#[N:5].[C:1]-[C:2]-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10].[O:4]-[O:11]	1	468
+[C:1]-[C:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]=[O:7].[C:3](-[C:4](=[O:5])-[O:6])=[P:8](-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)(-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2)-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:3	1	469
+[C:1]-[C:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[C:1]-[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	2	470,471
+[C:1]-[C:2]-[C:3]-[C:4]>>[C:3](-[C:4])=[O:5].[C:1]-[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	3	472,473,474
+[C:1]-[C:2]-[C:3]-[O:4]>>[C:1]-[C:2]=[C:3]-[O:4]-[C:5]	1	475
+[C:1]-[C:2]-[C:3]-[O:4]>>[O:4]-[O:25].[C:3]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3.[C:1]-[C:2]=[O:24]	1	476
+[C:1]-[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:6])-[Br:7]	2	477,478
+[C:1]-[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Br:7].[C:1]-[C:2]=[C:3]	1	479
+[C:1]-[C:2]-[C:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[C:1]-[C:2]#[C:3].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:9]	1	480
+[C:1]-[C:2]-[C:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:9].[C:1]-[C:2]#[C:3]	1	481
+[C:1]-[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])=[O:5].[C:1]-[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	1	482
+[C:1]-[C:2]-[Cl:3]>>[C:1]-[C:2](=[O:7])-[O:8]-[C:9]-[C:10].[Cl:3]-[S:4](=[O:5])-[Cl:6]	1	483
+[C:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1]-[C:2](-[O:7])=[O:8]	1	484
+[C:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1]-[C:2](-[O:7]-[C:9]-[C:10])=[O:8]	1	485
+[C:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:5](-[Cl:4])=[O:6].[C:1]-[C:2]-[O:7]-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	486
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2](=[O:5])-[O:6]-[C:7]-[C:8].[I:3]-[I:4]	2	487,488
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2](=[O:5])-[O:6].[I:3]-[I:4]	1	489
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2]-[O:4]-[C:5]-1-[C:6]-[C:7]-[C:8]-[C:9]-[O:10]-1.[I:3]	1	490
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2]-[O:4].[I:3]	2	491,492
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[C:6])-[C:7]>>[N:3](-[C:4](=[O:5])-[C:6])-[C:7].[C:1]-[C:2]-[O:8]	1	493
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[C:11]>>[C:1]-[C:2]=[O:12].[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[N:3]-[C:11]	1	494
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[C:11]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[C:2]-[Br:12].[N:3]-[C:11]	1	495
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[C:7]>>[C:5](=[O:6])(-[C:7])-[O:9].[N:3]-[C:4].[C:1]-[C:2]=[O:8]	1	496
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[N:7]>>[C:1]-[C:2]-[Br:8].[C:5](=[O:6])(-[N:7])-[Cl:9].[N:3]-[C:4]	1	497
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](-[Br:6])-[Br:7].[N:3](-[C:4])-[C:5]	1	498
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](-[O:6]-[C:7])-[O:8]-[C:9].[N:3](-[C:4])-[C:5]	1	499
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](-[O:6]-[C:7]-[C:8])-[O:9]-[C:10]-[C:11].[N:3](-[C:4])-[C:5]	1	500
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9].[N:3](-[C:4])-[C:5]	1	501
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](=[O:6])-[O:7].[N:3](-[C:4])-[C:5]	2	502,503
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[Br:6].[C:4]=[O:7].[N:3]-[C:5]	1	504
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[Br:6].[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	3	505,506,507
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[I:6].[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	508
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[O:6].[N:3](-[C:4])-[C:5]	7	509,510,511,512,513,514,515
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]=[O:6].[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	516
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]=[O:6].[N:3](-[C:4])(-[C:5])-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	1	517
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](-[O:6]-[C:7])-[O:8]-[C:9]	1	518
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](=[O:6])-[O:7]	4	519,520,521,522
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](=[O:6])-[O:7]-[C:8]	1	523
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9]	2	524,525
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[Cl:6]	1	526
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:6]	22	527,528,529,530,531,532,533,534,535,536,537,538,539,540,541,542,543,544,545,546,547,548
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:6]-[C:7](-[C:8])=[O:9]	1	549
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:6]-[Si:7](-[C:8](-[C:9])(-[C:10])-[C:11])(-[C:12])-[C:13]	1	550
+[C:1]-[C:2]-[N:3](-[C:4])-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:1]-[C:2]=[O:9].[N:3]-[C:4].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:10]	1	551
+[C:1]-[C:2]-[N:3](-[C:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](-[N:3]-[C:4])=[O:8].[c:5](:[c:6])(:[c:7])-[F:9]	1	552
+[C:1]-[C:2]-[N:3](-[C:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](=[O:9])-[O:10].[N:3]-[C:4].[c:5](:[c:6])(:[c:7])-[F:8]	1	553
+[C:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:6]=[O:7]>>[C:1]-[C:2]-[O:8].[N:3](-[C:4]=[O:5])-[C:6]=[O:7]	1	554
+[C:1]-[C:2]-[N:3](-[C:5]=[O:4])-[C:6]=[O:7]>>[C:1]-[C:2]-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[N:3](-[C:5]=[O:4])-[C:6]=[O:7]	1	555
+[C:1]-[C:2]-[N:3](-[C:5]=[O:4])-[C:6]=[O:7]>>[N:3](-[C:5]=[O:4])-[C:6]=[O:7].[C:1]-[C:2]-[O:8]	1	556
+[C:1]-[C:2]-[N:3](-[c:4])-[C:5]-[C:6]>>[C:1]-[C:2]-[Cl:7].[C:5](-[C:6])-[Cl:8].[N+:3](-[c:4])(=[O:9])-[O-:10]	1	557
+[C:1]-[C:2]-[N:3]-1-[c:4](:[c:5]-[N:7](-[c:8])-[S:9]-1(=[O:10])=[O:11]):[c:6]>>[C:1]-[C:2]-[O:12].[N:3]-[S:9](=[O:10])(=[O:11])-[N:13].[c:4](:[c:5]-[N:7]-[c:8])(:[c:6])-[N:14]	1	558
+[C:1]-[C:2]-[N:3]-[C:4](-[C:5])=[O:6]>>[C:1]-[C:2]#[N:3].[C:4](-[C:5])(=[O:6])-[O:7]	1	559
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[C:6]>>[C:1]-[C:2]#[N:3].[C:4](=[O:5])(-[C:6])-[O:7]	1	560
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]-[O:10]-[S:11](-[c:12]:1:[c:13]:[c:14]:[c:15](-[C:16]):[c:17]:[c:18]:1)(=[O:19])=[O:20].[N-:3]=[N+:9]=[N-:8].[C:4](=[O:5])(-[O:6])-[Cl:7]	1	561
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]-[O:10].[N-:3]=[N+:9]=[N-:8].[C:4](=[O:5])(-[O:6])-[Cl:7]	1	562
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]:[c:7]:[n:8]>>[C:4](-[O:5])(-[c:6]:[c:7]:[n:8])=[O:9].[C:1]-[C:2]#[N:3]	1	563
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:1]-[C:2]#[N:3].[C:4](=[O:5])(-[c:6])-[Cl:7]	3	564,565,566
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:1]-[C:2]#[N:3].[C:4](=[O:5])(-[c:6])-[O:7]	1	567
+[C:1]-[C:2]-[N:3]-[C:4]-[C:5]-[O:6]>>[C:1]-[C:2](-[N:3])=[O:7].[C:4]-1-[C:5]-[O:6]-1	1	568
+[C:1]-[C:2]-[N:3]-[C:4]-[C:5]>>[C:1]-[C:2]-[Br:6].[N:3]#[C:4]-[C:5]	1	569
+[C:1]-[C:2]-[N:3]-[C:4]-[c:5]>>[C:1]-[C:2]#[N:3].[C:4](-[c:5])=[O:6]	1	570
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2](=[O:5])-[O:6]-[C:7].[N:3]-[C:4]	1	571
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2](=[O:5])-[O:6].[N:3]-[C:4]	1	572
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2]-[O:5]-[Si:6](-[C:7])(-[C:8](-[C:9])(-[C:10])-[C:11])-[C:12].[N:3]-[C:4]	1	573
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2]-[O:5].[N:3]-[C:4]	4	574,575,576,577
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3](-[C:4])=[N+:6]=[N-:7].[C:1]-[C:2]=[O:5]	1	578
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2](-[O:5]-[C:6])-[O:7]-[C:8]	1	579
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[Cl:6]	1	580
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[O:6]	2	581,582
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[O:6]-[C:7]-[C:8]	1	583
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[Br:5]	1	584
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[Cl:5]	1	585
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[O:5]	4	586,587,588,589
+[C:1]-[C:2]-[N:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[N:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:13].[C:1]-[C:2]-[O:8]-[S:9](-[C:10])(=[O:11])=[O:12]	1	590
+[C:1]-[C:2]-[N:3]-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1>>[C:1]-[C:2]#[N:3].[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[Cl:10]	1	591
+[C:1]-[C:2]-[N:3]-[c:4]:[c:6]:[n:5]>>[N+:3](-[c:4]:[c:6]:[n:5])(=[O:8])-[O-:9].[C:1]-[C:2]=[O:7]	1	592
+[C:1]-[C:2]-[N:3]-[c:4]>>[N+:3](-[c:4])(=[O:6])-[O-:7].[C:1]-[C:2]=[O:5]	1	593
+[C:1]-[C:2]-[N:3]=[N+:4]=[N-:5]>>[C:1]-[C:2](-[O:6])=[O:7].[N-:3]=[N+:4]=[N-:5]	1	594
+[C:1]-[C:2]-[N:3]=[N+:4]=[N-:5]>>[C:1]-[C:2]-[O:6].[N-:3]=[N+:4]=[N-:5]	5	595,596,597,598,599
+[C:1]-[C:2]-[N:3]=[N+:4]=[N-:5]>>[N-:3]=[N+:4]=[N-:5].[C:1]-[C:2]-[O:6]	1	600
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9].[N-:3]=[N+:5]=[N-:4]	1	601
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8].[N-:3]=[N+:5]=[N-:4]	1	602
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2](=[O:6])-[O:7].[N-:3]=[N+:5]=[N-:4]	1	603
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2]-[O:6].[N-:3]=[N+:5]=[N-:4]	4	604,605,606,607
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[O:6]	1	608
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](-[N:3])=[O:4]	1	609
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](=[O:4])-[O:5].[N:3]	2	610,611
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9].[N-:3]=[N+:5]=[N-:4]	1	612
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8].[N-:3]=[N+:5]=[N-:4]	1	613
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](=[O:6])-[O:7].[N-:3]=[N+:5]=[N-:4]	1	614
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[Br:6].[N-:3]=[N+:5]=[N-:4]	1	615
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[C:4](=[O:5])-[O:6].[N:3](-[P:7](=[O:8])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2)=[N+:21]=[N-:22]	1	616
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[I:14].[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	617
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[I:6].[N-:3]=[N+:5]=[N-:4]	1	618
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:11].[N:3]-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:10]:[c:9]:1	1	619
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:14]-[C:15]-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1.[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	620
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:14]-[S:15](-[C:16])(=[O:17])=[O:18].[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	621
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:14].[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	2	622,623
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10].[N-:3]=[N+:5]=[N-:4]	1	624
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:6]-[S:7](-[c:8]:1:[c:9]:[c:10]:[c:11](-[C:12]):[c:13]:[c:14]:1)(=[O:15])=[O:16].[N-:3]=[N+:5]=[N-:4]	1	625
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:6].[N-:3]=[N+:5]=[N-:4]	6	626,627,628,629,630,631
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]=[O:11].[N:3]-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:10]:[c:9]:1	1	632
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[Br:6]	1	633
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[O:6]	1	634
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10]	1	635
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[O:6]-[S:7](-[c:8]:1:[c:9]:[c:10]:[c:11](-[C:12]):[c:13]:[c:14]:1)(=[O:15])=[O:16]	1	636
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:6].[C:1]-[C:2]-[O:4]	1	637
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:7]=[N-:8].[C:1]-[C:2](=[O:4])-[O:5]-[C:6]	1	638
+[C:1]-[C:2]-[N:3]>>[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13].[C:1]-[C:2]-[O:14]	2	639,640
+[C:1]-[C:2]-[O:11]-[S:8](-[c:7]:1:[c:6]:[c:5]:[c:4](-[C:3]):[c:13]:[c:12]:1)(=[O:9])=[O:10]>>[C:1]-[C:2](-[O:11])=[O:14].[C:3]-[c:4]:1:[c:5]:[c:6]:[c:7](-[S:8](=[O:9])(=[O:10])-[Cl:15]):[c:12]:[c:13]:1	1	641
+[C:1]-[C:2]-[O:3]-[C:4](-[C:5]-[C:6])-[O:7]>>[C:4](=[C:5]-[C:6])-[O:7].[C:1]-[C:2](-[O:3])=[O:8]	1	642
+[C:1]-[C:2]-[O:3]-[C:4](=[O:5])-[C:6]>>[C:1]-[C:2]-[I:7].[C:4](-[C:6])#[N:8].[O:3].[O:5]	1	643
+[C:1]-[C:2]-[O:3]-[C:4]-[c:5]>>[C:1]-[C:2](-[O:3])=[O:6].[C:4](-[c:5])-[Br:7]	1	644
+[C:1]-[C:2]-[O:3]-[C:4]>>[C:1]-[C:2]-[O:5].[O:3]-[C:4]	1	645
+[C:1]-[C:2]-[O:3]-[C:4]>>[C:4]-[I:5].[C:1]-[C:2]=[O:3]	1	646
+[C:1]-[C:2]-[O:3]-[C:4]>>[O:3]-[C:4].[C:1]-[C:2]-[O:5]	1	647
+[C:1]-[C:2]-[O:3]-[N:4]>>[C:1]-[C:2]-[O:15].[O:3]-[N:4]-1-[C:6](=[O:5])-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14]	1	648
+[C:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[C:2](-[O:3])=[O:8].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:9]	1	649
+[C:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[C:2](-[O:3]-[C:10]-[C:11])=[O:9].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:8]	1	650
+[C:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9]-[C:10].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:11]	1	651
+[C:1]-[C:2]-[O:3]-[S:4](=[O:5])(=[O:6])-[c:7]:1:[c:8]:[c:9]:[c:10](-[C:11]):[c:12]:[c:13]:1>>[C:1]-[C:2](=[O:3])-[O:14]-[C:15].[S:4](=[O:5])(=[O:6])(-[c:7]:1:[c:8]:[c:9]:[c:10](-[C:11]):[c:12]:[c:13]:1)-[Cl:16]	1	652
+[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7]>>[C:1]-[C:2](-[O:3])=[O:8].[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:9]	1	653
+[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7]>>[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:11].[C:1]-[C:2](=[O:3])-[O:8]-[C:9]-[C:10]	2	654,655
+[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7]>>[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:8].[C:1]-[C:2]=[O:3]	1	656
+[C:1]-[C:2]-[O:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2](-[O:3])=[O:7].[c:4](:[c:5])(:[c:6])-[O:8]	1	657
+[C:1]-[C:2]-[O:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[O:10].[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9]	1	658
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[Br:5].[O:3](-[c:4])-[C:6]	1	659
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[Br:5].[O:3](-[c:4])-[C:6](=[O:7])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	660
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[Cl:5].[O:3](-[c:4])-[C:6]	1	661
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[I:5].[O:3](-[c:4])-[C:6]	4	662,663,664,665
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[O:5]-[S:6](-[C:7])(=[O:8])=[O:9].[O:3](-[c:4])-[C:10]-[O:11]-[C:12]-[C:13]-[O:14]-[C:15]	1	666
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[O:5].[O:3](-[c:4])-[C:6]	1	667
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[O:5].[O:3]-[c:4]	3	668,669,670
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6](-[C:7])=[O:8].[C:1]-[C:2]-[Br:5]	1	671
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[C:1]-[C:2]-[Br:5]	1	672
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[C:1]-[C:2]-[O:5]	1	673
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6].[C:1]-[C:2]-[Br:5]	2	674,675
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6].[C:1]-[C:2]-[I:5]	1	676
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3]-[c:4].[C:1]-[C:2]-[O:5]	2	677,678
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3])-[C:4]-[O:5]	1	679
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:4])=[O:5]	8	680,681,682,683,684,685,686,687
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:4]-[C:5])-[O:6]-[C:7]-[C:8]	1	688
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:5])=[O:4]	2	689,690
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:5]-[C:4])=[O:6]	2	691,692
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:5]-[C:6])=[O:4]	7	693,694,695,696,697,698,699
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[Si:16]-[C:17](-[C:18])(-[C:19])-[C:20])(-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)-[c:12]:2:[c:5]:[c:4]:[c:15]:[c:14]:[c:13]:2	1	700
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]	1	701
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]	1	702
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2]=[C:4].[O:3]=[Os:5](=[O:6])(=[O:7])=[O:8]	2	703,704
+[C:1]-[C:2]-[O:3]>>[O:3]-[C:4]-[C:5].[C:1]-[C:2]#[N:6]	1	705
+[C:1]-[C:2]-[O:3]>>[O:3].[C:1]-[C:2]#[N:4]	1	706
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[C:2](-[O:7])=[O:8].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9]	1	707
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[C:2](=[O:7])-[O:8].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9]	1	708
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[C:2](=[O:7])-[O:9]-[C:10]-[C:11].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8]	1	709
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:10].[C:1]-[C:2](=[O:7])-[O:8]-[C:9]	2	710,711
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8].[C:1]-[C:2]=[O:7]	1	712
+[C:1]-[C:2]-[S:3](-[C:4])=[O:5]>>[O:5]-[O:11]-[C:12](=[O:13])-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18](-[Cl:19]):[c:20]:1.[C:1]-[C:2]-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10].[S:3]-[C:4]	1	713
+[C:1]-[C:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[C:1]=[C:2]-[Sn:7](-[C:8]-[C:9]-[C:10]-[C:11])(-[C:12]-[C:13]-[C:14]-[C:15])-[C:16]-[C:17]-[C:18]-[C:19].[c:3](:[c:4])(:[c:6]:[n:5])-[Br:20]	1	714
+[C:1]-[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1>>[C:1]-[C:2](=[O:8])-[Cl:9].[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1	1	715
+[C:1]-[C:2]-[c:3]>>[C:1]-[C:2](-[c:3])=[O:4]	1	716
+[C:1]-[C:2]=[C:3](-[C:4]-[O:5]-[c:6](:[c:7]):[c:8])-[C:9]>>[C:1]-[C:2]=[C:3](-[C:4](=[O:5])-[O:10]-[C:11]-[C:12])-[C:9].[c:6](:[c:7])(:[c:8])-[O:13]	1	717
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2]-[C:3](-[C:7])=[O:8].[c:4](:[c:5])(:[c:6])-[Br:9]	2	718,719
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2]-[C:3](-[C:7])=[O:8].[c:4](:[c:5]):[c:6]	1	720
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[c:4](:[c:5])(:[c:6])-[Br:9].[C:1]-[C:2]-[C:3](-[C:7])=[O:8]	1	721
+[C:1]-[C:2]=[C:3]-[C:4](-[O:5])-[C:6]>>[C:1]-[C:2]-[O:13].[C:3](-[C:4](=[O:5])-[C:6])-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:7]	2	722,723
+[C:1]-[C:2]=[C:3]-[C:4](-[O:5])-[C:6]>>[C:1]-[C:2]=[O:7].[C:3](-[C:4](=[O:5])-[C:6])-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:13]	3	724,725,726
+[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[C:6]>>[C:1]-[C:2]-[O:13].[C:3](-[C:4](=[O:5])-[C:6])-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:7]	2	727,728
+[C:1]-[C:2]=[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[C:1]-[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	2	729,730
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]-[C:2](-[O:5])=[O:6].[C:3](-[c:4])-[P+:7](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	1	731
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]-[C:2]-[C:3](-[c:4])=[O:5]	2	732,733
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]-[C:2]-[O:5].[C:3](-[c:4])-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	1	734
+[C:1]-[C:2]=[C:3]>>[C:1]-[C:2]-[O:23].[C:3]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:4]:[c:22]:[c:21]:[c:20]:[c:19]:3	1	735
+[C:1]-[C:2]=[N:3]-[O:4]>>[C:1]-[C:2](-[O:5])=[O:6].[N:3]-[O:4]	1	736
+[C:1]-[C:2]=[N:3]-[O:4]>>[C:1]-[C:2](-[O:5]-[C:6]-[C:7])-[O:8]-[C:9]-[C:10].[N:3]-[O:4]	1	737
+[C:1]-[C:2]=[N:3]-[O:4]>>[C:1]-[C:2]-[O:5].[N:3]-[O:4]	2	738,739
+[C:1]-[C:2]=[N:3]-[c:4]>>[C:1]-[C:2](=[O:5])-[O:6]-[C:7]-[C:8].[N:3]-[c:4]	1	740
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](-[O:3])=[O:4]	2	741,742
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](-[O:3]-[C:4])=[O:5]	1	743
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]	3	744,745,746
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:5]	4	747,748,749,750
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]	5	751,752,753,754,755
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-[O:3]-[C:4]	1	756
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-[O:3]-[C:4](=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	1	757
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10]	1	758
+[C:1]-[C:2]>>[C:1](-[C:2])-[O:3]	1	759
+[C:1]-[C:3](-[C:2])-[N:4]=[N+:6]=[N-:5]>>[N-:4]=[N+:6]=[N-:5].[C:1]-[C:3](-[C:2])-[O:7]	1	760
+[C:1]-[C:3](-[C:2])-[N:4]>>[N-:4]=[N+:6]=[N-:5].[C:1]-[C:3](-[C:2])-[O:7]	1	761
+[C:1]-[C:3](-[C:2])-[N:4]>>[N-:4]=[N+:6]=[N-:5].[C:1]-[C:3](-[C:2])-[O:7]-[S:8](-[c:9]:1:[c:10]:[c:11]:[c:12](-[C:13]):[c:14]:[c:15]:1)(=[O:16])=[O:17]	1	762
+[C:1]-[C:3](-[c:2])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:3](-[c:2])=[O:7]	1	763
+[C:1]-[C:3](-[c:2])=[N:4]>>[C:1]-[C:3](-[c:2])=[O:11].[N:4]-[S:9](-[C:6](-[C:5])(-[C:7])-[C:8])=[O:10]	1	764
+[C:1]-[C:4](-[N:2]-[c:3])=[O:5]>>[C:1]-[C:4](=[O:5])-[O:6].[N+:2](-[c:3])(=[O:7])-[O-:8]	1	765
+[C:1]-[C:4](-[N:3]-[c:2])=[O:5]>>[c:2]-[N:3].[C:1]-[C:4](=[O:5])-[O:6]	1	766
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])-[O:7].[C:1]-[N:2]-[C:6]	1	767
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])=[O:14].[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	768
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])=[O:14].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	769
+[C:1]-[N:2](-[C:3](-[C:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[C:4])(-[c:5])-[O:7]	1	770
+[C:1]-[N:2](-[C:3](-[C:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[C:4])(-[c:5])=[O:7]	1	771
+[C:1]-[N:2](-[C:3](-[C:4])=[O:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:3](-[C:4])(=[O:5])-[Cl:14]	1	772
+[C:1]-[N:2](-[C:3](-[C:4])=[O:6])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(=[O:6])-[O:7]-[C:8]-[C:9]	1	773
+[C:1]-[N:2](-[C:3](-[C:4])=[O:6])-[C:5]>>[C:3](-[C:4])(=[O:6])-[O:14].[C:1]-[N:2](-[C:5])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	774
+[C:1]-[N:2](-[C:3](-[c:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[c:4])(-[c:5])-[O:7]	1	775
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5](-[F:6])(-[F:7])-[F:8])-[C:9](-[C:10])-[C:11]>>[C:3](=[O:4])(-[C:5](-[F:6])(-[F:7])-[F:8])-[O:13]-[C:14](=[O:15])-[C:16](-[F:17])(-[F:18])-[F:19].[C:9](-[C:10])(-[C:11])=[O:12].[C:1]-[N:2]	1	776
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6](-[C:7])-[C:8]>>[C:3](=[O:4])(-[C:5])-[O:10].[C:6](-[C:7])(-[C:8])=[O:9].[C:1]-[N:2]	1	777
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[C:5])-[O:7]	1	778
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[C:5])-[O:7]-[C:8]	2	779,780
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[C:5])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]	3	781,782,783
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[Cl:14].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	784
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:14].[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	3	785,786,787
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:14].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	788
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:14].[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	4	789,790,791,792
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:7]-[C:8]-[C:9].[C:1]-[N:2]-[C:6]	1	793
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:7]-[C:8].[C:1]-[N:2]-[C:6]	1	794
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5]-[C:6]-[c:7])-[C:8]>>[C:3](=[O:4])(-[C:5]=[C:6]-[c:7])-[O:9].[C:1]-[N:2]-[C:8]	1	795
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[C:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[N:5]-[C:6].[C:3](=[O:4])(-[n:15]:1:[c:16]:[c:17]:[n:18]:[c:19]:1)-[n:20]:2:[c:21]:[c:22]:[n:23]:[c:24]:2	1	796
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[C:3](=[O:4])=[N:5]-[c:6]	1	797
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](=[O:4])(-[O:8]-[C:9](-[Cl:10])(-[Cl:11])-[Cl:12])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17].[N+:5](-[c:6])(=[O:18])-[O-:19]	1	798
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:3](=[O:4])(-[O:5])-[Cl:14]	1	799
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:3](=[O:4])(-[O:5])-[Cl:14]	1	800
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:3](=[O:4])(-[O:5])-[Cl:14].[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	2	801,802
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10](-[C:11])-[C:12]>>[C:1]-[N:2].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:14]-[C:15](-[O:16]-[C:17](-[C:18])(-[C:19])-[C:20])=[O:21].[C:10](-[C:11])(-[C:12])=[O:13]	1	803
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10]>>[C:1]-[I:11].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:2]-[C:10]	2	804,805
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10]>>[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:18]-[C:19](-[O:20]-[C:21](-[C:22])(-[C:23])-[C:24])=[O:25].[C:1]-[N:2](-[C:10])-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	1	806
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]):[n:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[C:9](-[Cl:10])(-[Cl:11])-[Cl:12]	1	807
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]):[s:7])-[c:8]>>[C:1]-[N:2]-[c:8].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:9]-[C:10]	1	808
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:10]-[C:11]	1	809
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8])-[C:9]>>[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:10]-[C:11]-[C:12].[C:1]-[N:2]-[C:9]	1	810
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[n:6]):[c:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:9]-[C:10]-[C:11]	1	811
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[n:6]):[c:7])-[C:8]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:9]-[C:10]-[C:11].[C:1]-[N:2]-[C:8]	1	812
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:3](=[O:4])(-[c:5])-[Cl:14]	1	813
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[c:5])-[O:7]-[C:8]	2	814,815
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[c:5])-[O:7]-[C:8]-[C:9]	2	816,817
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1)-[C:10]>>[C:1]-[N:2]-[C:10].[C:3](=[O:4])(-[C:12](-[Cl:11])(-[Cl:13])-[Cl:14])-[Cl:15].[c:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1	1	818
+[C:1]-[N:2](-[C:3])-[C:4](-[C:5])=[O:6]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(=[O:6])-[O:7]-[C:8]	1	819
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6])-[O:7]-[C:8]-[C:9]	2	820,821
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:4](=[O:5])(-[C:6])-[Cl:14].[C:1]-[N:2](-[C:3])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	822
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[C:1]-[N:2]-[C:3].[N:6](-[C:7])-[C:8].[C:4](=[O:5])(-[O:16]-[c:15]:1:[c:14]:[c:13]:[c:12](-[N+:10](=[O:9])-[O-:11]):[c:18]:[c:17]:1)-[Cl:19]	1	823
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[C:1](-[O:21]-[C:20]-[C:19])(=[O:22])-[Cl:23].[N:2]-[C:3]	1	824
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:15]-[C:16](-[O:17]-[C:18](-[C:19])(-[C:20])-[C:21])=[O:22].[C:1](-[N:2]-[C:3])(-[O:11]-[C:12]-[C:13])=[O:14]	1	825
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[N:2]-[C:3].[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[C:1]-[I:11]	1	826
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]):[n:8]>>[C:4](-[O:5]-[C:9]-[C:10])(-[c:6](:[c:7]):[n:8])-[O:11]-[C:12]-[C:13].[C:1]-[N:2]-[C:3]	1	827
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]):[n:8]>>[C:4](=[O:5])-[c:6](:[c:7]):[n:8].[C:1]-[N:2]-[C:3]	1	828
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]:[s:8]):[n:9]>>[C:4](=[O:5])(-[c:6](:[c:7]:[s:8]):[n:9])-[O:10]-[C:11]-[C:12].[C:1]-[N:2]-[C:3]	1	829
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[n:7]):[c:9]:[n:8]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6](:[n:7]):[c:9]:[n:8])-[O:10]-[C:11]	1	830
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]>>[C:1]-[N:2].[C:3]-[I:8].[C:4](=[O:5])(-[c:6])-[O:7]	1	831
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[N:7](-[C:8])-[c:9]>>[C:4](-[C:5](=[O:6])-[Cl:11])-[Cl:10].[C:1]-[N:2]-[C:3].[N:7](-[C:8])-[c:9]	1	832
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[C:4](-[C:5](=[O:6])-[Cl:10])-[Cl:9].[C:1]-[N:2]-[C:3].[N+:7](-[c:8])(=[O:11])-[O-:12]	1	833
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[C:4](-[C:5](=[O:6])-[Cl:10])-[Cl:9].[C:1]-[N:2]-[C:3].[N:7]-[c:8]	1	834
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(=[O:6])-[O:7]-[C:8]	1	835
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(=[O:6])-[O:7]-[C:8]-[C:9]	1	836
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])-[O:6]	3	837,838,839
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:4](-[C:5])(=[O:6])-[O:7].[C:1]-[N:2]-[C:3]	2	840,841
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:4](-[C:5])-[O:6].[C:1]-[N:2]-[C:3]	1	842
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2]-[C:3].[C:4]-[c:5](:[n:6]):[c:7]	1	843
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5])(=[O:6])-[O:7]	1	844
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]-[I:5].[N:2](-[C:3])(-[C:4])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	2	845,846
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]=[O:5].[N:2](-[C:3])(-[C:4])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	2	847,848
+[C:1]-[N:2](-[C:3])-[C:5](-[O:4])=[O:6]>>[O:4]-[C:5](=[O:6])-[Cl:14].[C:1]-[N:2](-[C:3])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	849
+[C:1]-[N:2](-[C:3])-[C:5]-[C:4]>>[C:4]-[C:5](=[O:6])-[O:7].[C:1]-[N:2]-[C:3]	1	850
+[C:1]-[N:2](-[C:3])-[C:6](=[N:5]-[c:4])-[N:7]>>[C:6](#[N:7])-[Br:10].[C:1]-[N:2]-[C:3].[c:4]-[N+:5](=[O:8])-[O-:9]	1	851
+[C:1]-[N:2](-[C:3])-[S:4](=[O:5])(=[O:6])-[c:7]>>[C:1]-[N:2].[C:3]-[I:9].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:8]	1	852
+[C:1]-[N:2](-[C:3])-[c:4]:1:[c:5]:[c:6]:[n:7]:[n:8]:1>>[C:1]-[N:2]-[C:3].[c:4]:1:[c:5]:[c:6]:[n:7]:[n:8]:1	1	853
+[C:1]-[N:2](-[C:3]-[C:4](=[C:5](-[Cl:6])-[C:7])-[N:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3]-[C:4](=[C:5](-[Cl:6])-[C:7])-[N:8]	1	854
+[C:1]-[N:2](-[C:3]-[C:4](=[O:5])-[N:6]-[c:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[C:4](=[O:5])-[Cl:10])-[Cl:9].[N:6]-[c:7]	1	855
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[C:4])-[Br:13]	1	856
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[C:4])=[O:13]	1	857
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(-[O:6]-[C:7])-[O:8]-[C:9]	2	858,859
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(-[O:6]-[C:7]-[C:8])-[O:9]-[C:10]-[C:11]	1	860
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(=[O:6])-[O:7]	5	861,862,863,864,865
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])-[Cl:6]	1	866
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])-[O:6]	13	867,868,869,870,871,872,873,874,875,876,877,878,879
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])=[C:6]	1	880
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])(-[O:6]-[C:7]-[C:8])-[O:9]-[C:10]-[C:11].[C:1]-[N:2]-[C:5]	1	881
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:13].[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	3	882,883,884
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:16].[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	885
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:9].[C:1]-[N:2](-[C:5])-[C:6]-[C:7]=[C:8]	1	886
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Cl:13].[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	3	887,888,889
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[O:6].[C:1]-[N:2]-[C:5]	2	890,891
+[C:1]-[N:2](-[C:3]-[C:4])-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:1]-[N:2].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:9].[C:3](-[C:4])-[Br:10]	1	892
+[C:1]-[N:2](-[C:3]-[C:4])-[c:5]>>[C:1]-[I:7].[N:2](-[C:3](-[C:4])=[O:6])-[c:5]	1	893
+[C:1]-[N:2](-[C:3]-[C:4])-[c:5]>>[C:1]=[O:6].[N:2](-[C:3](-[C:4])=[O:7])-[c:5]	1	894
+[C:1]-[N:2](-[C:3]-[C:4]=[C:5])-[C:6]>>[C:1]=[O:7].[N:2](-[C:3]-[C:4]=[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	895
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]:[n:6]):[n:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[c:4](:[c:5]:[n:6]):[n:7])-[O:9]	1	896
+[C:1]-[N:2](-[C:3]-[c:4](:[n:5]):[c:6])-[C:7]>>[C:3]-[c:4](:[n:5]):[c:6].[C:1]-[N:2]-[C:7]	1	897
+[C:1]-[N:2](-[C:3]-[c:4](:[n:5]):[n:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:3](-[c:4](:[n:5]):[n:6])=[O:15]	1	898
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[C:7]>>[C:1]-[N:2]-[C:5](=[O:6])-[C:7].[C:3]-[c:4]	1	899
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[C:7]>>[C:3](-[c:4])=[O:8].[C:1]-[N:2].[C:5](=[O:6])(-[C:7])-[O:9]	1	900
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:3](-[c:4])-[Br:12].[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[N:2]	1	901
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:3](-[c:4])=[O:12].[C:1]-[N:2].[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20]	1	902
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[N:2].[C:3](-[c:4])=[O:12]	2	903,904
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]>>[C:1]-[N:2].[C:3](-[c:4])=[O:8].[C:5](=[O:6])(-[O:7])-[Cl:9]	1	905
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]-[C:6]-[O:7]>>[C:1]-[N:2].[C:5]-1-[C:6]-[O:7]-1.[C:3](-[c:4])=[O:8]	1	906
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[c:4])-[Br:13]	2	907,908
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[c:4])=[O:13]	3	909,910,911
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[C:3](-[c:4])-[Cl:16]	1	912
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[C:3](-[c:4])=[O:16]	1	913
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[C:3](-[c:4])=[O:13]	2	914,915
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])(-[O:6])=[O:7]	1	916
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])(-[O:6]-[C:7])-[O:8]-[C:9]	1	917
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])-[O:6]	2	918,919
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3]-[c:4]	2	920,921
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:3](-[c:4])=[O:13].[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	922
+[C:1]-[N:2](-[C:3]-[c:4])-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:3](-[c:4])=[O:9].[C:1]-[N:2].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:10]	1	923
+[C:1]-[N:2](-[C:3]-[c:4]:1:[c:5]:[c:6](:[c:7](:[s:8]:1):[c:9]):[n:10])-[C:11]>>[c:4]:1:[c:5]:[c:6](:[c:7](:[s:8]:1):[c:9]):[n:10].[C:1]-[N:2]-[C:11].[C:3](=[O:12])-[N:13](-[C:14])-[C:15]	1	924
+[C:1]-[N:2](-[C:3]-[c:4]:[c:5]:[n:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[C:7](=[O:8])(-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])-[O:15]-[C:16](-[O:17]-[C:18](-[C:19])(-[C:20])-[C:21])=[O:22].[C:1]-[N:2].[C:3](-[c:4]:[c:5]:[n:6])=[O:14]	1	925
+[C:1]-[N:2](-[C:3]-[c:4]:[c:5]:[n:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3]-[c:4]:[c:5]:[n:6]	1	926
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[C:1]-[N:2].[C:7](=[O:8])(-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])-[O:15]-[C:16](-[O:17]-[C:18](-[C:19])(-[C:20])-[C:21])=[O:22].[C:3](-[c:4]:[c:6]:[n:5])=[O:14]	1	927
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](-[c:4]:[c:6]:[n:5])-[O:8]-[C:9]	1	928
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3]-[c:4]:[c:6]:[n:5]	1	929
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7]>>[C:3](-[c:4]:[c:6]:[n:5])=[O:15].[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	930
+[C:1]-[N:2](-[N:3])-[C:8](-[N:4]-[c:5](:[n:6]):[s:7])=[O:9]>>[C:1]-[N:2]-[N:3].[C:8](=[O:9])(-[Cl:10])-[Cl:11].[N:4]-[c:5](:[n:6]):[s:7]	1	931
+[C:1]-[N:2](-[S:3](-[C:4])(=[O:5])=[O:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:15]	1	932
+[C:1]-[N:2](-[S:3](-[C:4])(=[O:5])=[O:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:15]	2	933,934
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[C:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[S:3](=[O:4])(=[O:5])(-[C:6])-[Cl:15]	1	935
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6](:[n:7]):[c:8])-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](=[O:11])-[O:12]-[C:13]-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1.[S:3](=[O:4])(=[O:5])(-[c:6](:[n:7]):[c:8])-[Cl:20]	2	936,937
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:15]	1	938
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:15]	1	939
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9]:[s:10]:1)-[C:11]>>[C:1]-[N:2]-[C:11].[S:3](=[O:4])(-[O:5])(-[Cl:12])=[O:13].[c:6]:1:[c:7]:[c:8]:[c:9]:[s:10]:1	1	940
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6]:[c:8]:[n:7])-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[S:3](=[O:4])(=[O:5])(-[c:6]:[c:8]:[n:7])-[Cl:17]	1	941
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:3](:[c:4])(:[c:5])-[O:14]-[S:15](=[O:16])(=[O:17])-[C:18](-[F:19])(-[F:20])-[F:21]	1	942
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1.[c:3](:[c:4])(:[c:5])-[Br:17]	1	943
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[c:3](:[c:4])(:[c:5])-[F:14].[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	944
+[C:1]-[N:2](-[c:3](:[c:4]):[n:6]:[n:5])-[C:7]>>[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:15].[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	945
+[C:1]-[N:2](-[c:3](:[c:4]):[n:7]:[c:6]:[c:5])-[C:8]>>[C:1]-[N:2](-[C:8])-[C:9](=[O:10])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1.[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:19]	1	946
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5](:[c:6]):[c:7]):[c:8])-[C:9]>>[C:1]-[N:2]-[C:9].[c:3](:[n:4]:[c:5](:[c:6]):[c:7])(:[c:8])-[O:10]	1	947
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])-[C:8]>>[C:1]-[N:2](-[C:8])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:16]	1	948
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])-[C:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:19].[C:1]-[N:2](-[C:8])-[C:9](=[O:10])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1	1	949
+[C:1]-[N:2](-[c:3])-[S:4](-[C:5])(=[O:6])=[O:7]>>[N:2]-[c:3].[C:1]-[I:8].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:9]	1	950
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:17]	1	951
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](=[O:11])-[O:12]-[C:13]-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1.[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:20]	1	952
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:17]	1	953
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1.[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:17]	1	954
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:17].[C:1]-[N:2](-[C:9])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16]	1	955
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5](-[c:6])-[C:7](=[O:8])-[C:9]=[C:10]-1-[C:11]>>[C:1]-[I:12].[N:2]-[C:10](=[C:9]-[C:7](=[O:8])-[O:13]-[C:14]-[C:15])-[C:11].[C:3](=[O:4])(-[N:5]-[c:6])-[O:16]-[C:17]-[C:18]	1	956
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[c:6]:[c:7]-1>>[C:1]-[N:2]-[c:7]:[c:6]-[N+:5](=[O:8])-[O-:9].[C:3](=[O:4])(-[O:10]-[C:11](-[Cl:12])(-[Cl:13])-[Cl:14])-[O:15]-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19]	1	957
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[c:6]:[c:7]-1>>[C:1]-[N:2]-[c:7]:[c:6]-[N+:5](=[O:8])-[O-:9].[C:3](=[O:4])(-[n:10]:1:[c:11]:[c:12]:[n:13]:[c:14]:1)-[n:15]:2:[c:16]:[c:17]:[n:18]:[c:19]:2	3	958,959,960
+[C:1]-[N:2]-1-[C:3]-[c:4]:[c:5]-[C:6]-1=[O:7]>>[C:3]-[c:4]:[c:5]-[C:6](=[O:7])-[O:9]-[C:8].[C:1]-[N:2]	2	961,962
+[C:1]-[N:2]-1-[N:3]-[C:4]-[N:5](-[c:6](:[n:7]):[s:8])-[C:9]-1=[O:10]>>[C:4]=[O:11].[C:1]-[N:2]-[N:3].[N:5](-[c:6](:[n:7]):[s:8])=[C:9]=[O:10]	1	963
+[C:1]-[N:2]-1-[N:3]-[C:4]-[N:5](-[c:6](:[n:7]):[s:8])-[C:9]-1=[O:10]>>[C:4]=[O:13].[C:1]-[N:2]-[N:3].[C:9](=[O:10])(-[Cl:11])-[Cl:12].[N:5]-[c:6](:[n:7]):[s:8]	1	964
+[C:1]-[N:2]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]>>[C:5]-[C:6](-[C:7])(-[C:8])-[O:9]-[C:10](=[O:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[N:2]-[C:3](-[C:4])=[O:12]	1	965
+[C:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:13].[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	966
+[C:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:13].[C:1]-[N:2]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]	2	967,968
+[C:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3]-1(-[C:4])(-[C:5])-[O:6]-[C:7]-[C:8]-[O:9]-1.[C:1]-[N:2]	1	969
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N+:2](=[O:6])-[O-:7].[C:3](-[C:4])(=[O:5])-[O:8]	1	970
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[C:4])(=[O:5])-[Cl:13]	1	971
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N:2].[C:3](-[C:4])(=[O:5])-[O:6]-[C:7]-[C:8]	1	972
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N:2].[O:5].[C:3](-[C:4])#[N:6]	1	973
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[O:16]-[C:17](-[C:18])=[O:19].[C:1]-[N:2]-1-[C:6](-[c:7]:2:[c:8](-[C:9]-1=[O:10]):[c:11]:[c:12]:[c:13]:[c:14]:2)=[O:15]	1	974
+[C:1]-[N:2]-[C:3](-[c:4])=[O:5]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]-[C:7]	1	975
+[C:1]-[N:2]-[C:3](-[c:4])=[O:5]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	976
+[C:1]-[N:2]-[C:3](=[C:4]-[N+:5])-[N:6]-[C:7]>>[N:6]-[C:7].[C:3](=[C:4]-[N+:5])(-[S:9]-[C:8])-[S:10]-[C:11].[C:1]-[N:2]	1	977
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]-1=[C:6](-[O:7])-[c:8](:[n:9]):[c:10]-[N:11]-[C:12]-1=[O:13]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5]-[C:12](-[N:11]-[c:10]:[c:8](-[C:6](=[O:7])-[O:17]-[C:18]-[C:19]):[n:9])=[O:13])-[O:16]-[C:15]-[C:14]	1	978
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]-[N:6](-[C:7])-[C:8]>>[C:3](=[O:4])(-[C:5]-[Cl:9])-[Cl:10].[N:6](-[C:7])-[C:8].[C:1]-[N:2]	1	979
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[C:3](=[O:4])(-[C:5]=[C:6])-[O:7]-[C:8].[C:1]-[N:2]	1	980
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2]-1-[C:6](-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14])=[O:15].[C:3](=[O:4])(-[C:5])-[Cl:16]	1	981
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](=[O:4])(-[C:5])-[O:13]	2	982,983
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]	1	984
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]	3	985,986,987
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]	2	988,989
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8]	6	990,991,992,993,994,995
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:13].[C:1]-[N:2]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]	1	996
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:8].[C:1]-[N:2]=[N+:6]=[N-:7]	1	997
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[C:1]-[N:2]	2	998,999
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8].[C:1]-[N:2]	2	1000,1001
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:1]-[N:2]	1	1002
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7].[C:1]-[N:2]	2	1003,1004
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6].[C:1]-[N:2]	1	1005
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:8].[C:1]-[N:2]=[N+:6]=[N-:7]	1	1006
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5](-[C:6])(-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	1007
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[s:8]>>[N:5]-[c:6](:[n:7]):[s:8].[C:1]-[N:2].[C:3](=[O:4])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	1008
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]:[c:7]:[n:8]>>[C:1]-[N:2].[N:5]-[c:6]:[c:7]:[n:8].[C:3](=[O:4])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	1009
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]-[N:2].[C:3](=[O:4])(-[O:7]-[C:8](-[Cl:9])(-[Cl:10])-[Cl:11])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16].[N+:5](-[c:6])(=[O:17])-[O-:18]	1	1010
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]-[N:2]=[C:3]=[O:4].[N+:5](-[c:6])(=[O:7])-[O-:8]	4	1011,1012,1013,1014
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]-[N:2]=[N+:7]=[N-:8].[C:3](=[O:4])=[N:5]-[c:6]	1	1015
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[C:1]-[N:2]=[N+:10]=[N-:11]	2	1016,1017
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]>>[C:1]-[N:2]=[N+:6]=[N-:7].[C:3](=[O:4])(-[O:5])-[Cl:8]	2	1018,1019
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:8]-[C:9]-[C:10]	1	1020
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:8]-[C:9]-[C:10].[C:1]-[N:2]	1	1021
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:8]-[C:9]-[C:10].[C:1]-[N:2]	1	1022
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:9]-[C:10]-[C:11]	1	1023
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[s:8]>>[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[s:8])-[O:9]-[C:10]-[C:11].[C:1]-[N:2]	1	1024
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2]-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:15]	1	1025
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:8]-[C:9]-[C:10]	1	1026
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1>>[C:3](=[O:4])(-[C:13](-[F:10])(-[F:11])-[F:12])-[O:14]-[C:15](-[C:16](-[F:17])(-[F:18])-[F:19])=[O:20].[C:1]-[N:2].[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1	1	1027
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[O:10]	1	1028
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[O:10]-[C:11]-[C:12]	1	1029
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]-[N:7]-[C:8](=[O:9])-[c:10](:[c:11]):[n:12]>>[C:8](-[c:10](:[c:11]):[n:12])(=[O:13])-[O:14].[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:[c:6]-[N:7])-[O:9]	1	1030
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9]-[C:10]	1	1031
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[C:8](-[F:9])(-[F:10])-[F:11].[C:1]-[N:2]	1	1032
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9]-[C:10].[C:1]-[N:2]	5	1033,1034,1035,1036,1037
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9].[C:1]-[N:2]	2	1038,1039
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:7]:[n:6]>>[C:3](=[O:4])(-[c:5]:[c:7]:[n:6])-[O:8]-[C:9].[C:1]-[N:2]	1	1040
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[c:5])-[O:8]	1	1041
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](=[O:4])(-[c:5])-[Cl:13]	1	1042
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]	6	1043,1044,1045,1046,1047,1048
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7]	6	1049,1050,1051,1052,1053,1054
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7]-[C:8]	2	1055,1056
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[O:4].[C:3](-[c:5])#[N:6]	2	1057,1058
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2]=[N+:6]=[N-:7].[C:3](=[O:4])(-[c:5])-[Cl:8]	3	1059,1060,1061
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6]-[C:7].[C:1]-[N:2]	5	1062,1063,1064,1065,1066
+[C:1]-[N:2]-[C:3](=[O:4])-[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[c:9]>>[C:1]-[N:2].[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[c:9].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11]:[c:17]:[c:16]:1)-[Cl:18]	1	1067
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[N:2]=[C:3]=[S:4].[N:5](-[C:6])(-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	1068
+[C:1]-[N:2]-[C:3]-[C:4](-[C:5])-[C:6]>>[C:1]-[N:2].[C:3](=[C:4](-[C:5])-[C:6])-[O:7]-[C:8]	1	1069
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])(-[O:5])=[O:6]	1	1070
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])(=[O:5])-[O:6]	2	1071,1072
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])(=[O:5])-[O:6]-[C:7]-[C:8]	2	1073,1074
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])-[O:5]	6	1075,1076,1077,1078,1079,1080
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2]=[N+:5]=[N-:6].[C:3](-[C:4])=[O:7]	1	1081
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[C:1]-[N:2]	2	1082,1083
+[C:1]-[N:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:1]-[N:2].[C:3](-[c:4](:[n:5]):[c:6])-[O:7]	2	1084,1085
+[C:1]-[N:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:1]-[N:2].[C:3](-[c:4]:[c:5]:[n:6])(=[O:7])-[O:8]-[C:9]	1	1086
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2]-[C:5](-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])=[O:11].[C:3](-[c:4])=[O:12]	1	1087
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[Cl:6]	1	1088
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]	1	1089
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]-[C:7]	1	1090
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]-[C:7]-[C:8]	1	1091
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])-[O:5]	2	1092,1093
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3]-[c:4]	1	1094
+[C:1]-[N:2]-[C:3]=[O:4]>>[C:3](=[O:4])-[O:7].[C:1]-[N+:2](=[O:5])-[O-:6]	1	1095
+[C:1]-[N:2]-[C:3]>>[C:1](-[O:6]-[C:5]-[C:4])(=[O:7])-[Cl:8].[N:2]-[C:3]	1	1096
+[C:1]-[N:2]-[C:3]>>[C:1](=[O:4])-[O:5]-[C:6]-[C:7].[N:2]-[C:3]	1	1097
+[C:1]-[N:2]-[C:3]>>[C:1]-1-[O:4]-[C:5]-[C:6]-[C:7]-1.[N+:2](-[C:3])(=[O:8])-[O-:9]	1	1098
+[C:1]-[N:2]-[C:3]>>[C:1]-[I:11].[N:2](-[C:3])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]	1	1099
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:4]	1	1100
+[C:1]-[N:2]-[C:3]>>[N:2]-[C:3].[C:1]-[I:4]	1	1101
+[C:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[C:1]-[N:2]-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:14]	2	1102,1103
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[C:6]>>[S:3](=[O:4])(=[O:5])(-[C:6])-[Cl:14].[C:1]-[N:2]-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1104
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[C:6]>>[S:3](=[O:4])(=[O:5])(-[C:6])-[Cl:17].[C:1]-[N:2]-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	1	1105
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[c:8]>>[C:1]-[N:2].[S:3](=[O:4])=[O:5].[c:6](:[c:7])(:[c:8])-[N:9]	1	1106
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[C:1]-[N:2]-1-[C:7](=[O:8])-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-[C:15]-1=[O:16].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:17]	1	1107
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[S:3](=[O:4])(=[O:5])(-[c:6])-[O:7].[C:1]-[N:2]	1	1108
+[C:1]-[N:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[N:2]=[N+:6]=[N-:7].[c:3](:[c:4])(:[c:5])-[F:8]	2	1109,1110
+[C:1]-[N:2]-[c:3](:[c:4]):[n:6]:[n:5]>>[C:1]-[N:2].[c:3](:[c:4])(:[n:6]:[n:5])-[O:7]	1	1111
+[C:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[N:2].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[O:8]	1	1112
+[C:1]-[N:2]-[c:3]:1:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1>>[C:1]-[N:2]-1-[C:11](=[O:12])-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2-[C:19]-1=[O:20].[c:3]:1(:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1)-[Cl:21]	1	1113
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	3	1114,1115,1116
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9].[C:1]-[N:2]	1	1117
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1>>[C:1]-[N:2]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1)-[Cl:16]	2	1118,1119
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:10]-[C:9]	1	1120
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:11].[C:1]-[N:2]=[N+:9]=[N-:10]	1	1121
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[s:9]>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[s:9])-[O:10]	1	1122
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:16]	1	1123
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:16]	1	1124
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	1	1125
+[C:1]-[N:2]-[c:3]>>[C:1]=[O:4].[N+:2](-[c:3])(=[O:5])-[O-:6]	2	1126,1127
+[C:1]-[N:3](-[C:2])-[C:4](-[N:5]-[N:6])=[O:7]>>[C:4](=[O:7])(-[O:8]-[C:9](-[Cl:10])(-[Cl:11])-[Cl:12])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17].[C:1]-[N:3]-[C:2].[N:5]-[N:6]	1	1128
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[C:6]>>[C:4](-[O:5])(-[C:6])=[O:14].[C:1]-[N:3](-[C:2])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1129
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[C:1]-[N:3]-[C:2].[C:4](=[O:5])(-[O:16]-[c:15]:1:[c:14]:[c:13]:[c:12](-[N+:10](=[O:9])-[O-:11]):[c:18]:[c:17]:1)-[Cl:19]	1	1130
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[N:6]-[c:7]>>[C:4](=[O:5])=[N:6]-[c:7].[C:1]-[N:3](-[C:2])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	1	1131
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[c:6](:[c:7]:[s:8]):[n:9]>>[C:1]-[N:3](-[C:2])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[C:4](=[O:5])(-[c:6](:[c:7]:[s:8]):[n:9])-[O:17]	1	1132
+[C:1]-[N:3](-[C:2])-[C:4]-[C:5]>>[C:1]-[N:3]-[C:2].[C:4](-[C:5])-[O:6]	1	1133
+[C:1]-[N:3](-[C:2])-[C:4]-[c:5](:[c:6]):[c:7]>>[C:1]-[N:3]-[C:2].[C:4](=[O:8])-[N:9](-[C:10])-[C:11].[c:5](:[c:6])(:[c:7])-[Br:12]	1	1134
+[C:1]-[N:3](-[C:2])-[N:4]>>[C:1]-[N:3]-[C:2].[N:4](-[O:5])=[O:6]	1	1135
+[C:1]-[N:3](-[C:2])-[N:4]>>[C:1]-[N:3]-[C:2].[N:4](=[O:5])-[O:6]	1	1136
+[C:1]-[N:3](-[C:2])-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[N:3](-[C:2])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:18]	1	1137
+[C:1]-[N:3](-[C:2])-[S:4](=[O:5])(=[O:6])-[c:7]>>[C:1]-[N:3](-[C:2])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:15]	1	1138
+[C:1]-[N:5]=[C:3](-[C:2])-[N:4]>>[C:1]-[N:5]-[C:3](-[C:2])=[O:6].[N:4]	1	1139
+[C:1]-[O:2]-[C:3](-[C:4])-[c:5]>>[O:2]=[C:3](-[C:4])-[c:5].[C:1]-[I:6]	2	1140,1141
+[C:1]-[O:2]-[C:3](-[c:4](:[n:5]:[c:6]:[c:7]):[c:8])(-[C:9])-[C:10]>>[C:1]-[I:11].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:12].[O:2]=[C:3](-[C:9])-[C:10]	1	1142
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5](-[C:6])-[O:7]>>[C:1]-[O:2].[O:7].[C:3](=[O:4])(-[C:5](-[C:6])-[N:9])-[O:8]	1	1143
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[O:2].[C:3](=[O:4])(-[C:5])-[O:6]	2	1144,1145
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[O:6].[O:2](-[C:3](=[O:4])-[C:5])-[C:7](-[C:8])(-[C:9])-[C:10]	1	1146
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[O:6].[O:2](-[C:3](=[O:4])-[C:5])-[C:7]-[C:8]	1	1147
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[O:2].[N:5](-[C:6])-[C:7].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:17]:[c:16]:1)-[Cl:18]	1	1148
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1]-[O:2].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:17]:[c:16]:1)-[Cl:18]	1	1149
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5]-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1>>[C:1]-[O:2].[C:3](=[O:4])(-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1)-[O:11]-[C:12].[N:5](=[N+:13]=[N-:14])-[P:15](=[O:16])(-[c:17]:1:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:1)-[c:23]:2:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:2	1	1150
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[O:2].[C:3](-[c:5]:[c:6]:[n:7])#[N:8].[O:4]	1	1151
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[O:2].[C:3](=[O:4])(-[c:5])-[O:6]	2	1152,1153
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[O:2].[O:4].[C:3](-[c:5])#[N:6]	1	1154
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6]-[C:7].[C:1]-[O:2]	1	1155
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6].[C:1]-[O:2]	1	1156
+[C:1]-[O:2]-[C:3]-1-[C:4]-[C:5]-[C:6]-[C:7]-[O:8]-1>>[C:1]-[O:2]-[C:9](=[O:10])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1.[C:3]-1-[C:4]-[C:5]-[C:6]=[C:7]-[O:8]-1	1	1157
+[C:1]-[O:2]-[C:3]-[C:4]>>[C:1]-[I:5].[O:2]-[C:3](-[C:4])=[O:6]	1	1158
+[C:1]-[O:2]-[C:3]-[C:4]>>[C:1]-[I:5].[O:2]=[C:3](-[C:4])-[O:6]-[C:7]	1	1159
+[C:1]-[O:2]-[C:3]-[C:4]>>[C:1]-[O:2].[C:3](-[C:4])-[O:5]	1	1160
+[C:1]-[O:2]-[C:3]-[C:4]>>[O:2]=[C:3](-[C:4])-[O:6]-[C:7].[C:1]-[I:5]	1	1161
+[C:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:1]-[O:2].[C:3](-[c:4](:[n:5]):[c:6])-[O:7]	1	1162
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[I:5].[O:2]=[C:3](-[c:4])-[O:6]-[C:7]	1	1163
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[O:2].[C:3]-[c:4]	1	1164
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:3]-[c:4].[C:1]-[O:2]	1	1165
+[C:1]-[O:2]-[C:3]>>[C:1]-[I:4].[O:2](-[C:3])-[Si:5](-[C:6])(-[C:7])-[C:8](-[C:9])(-[C:10])-[C:11]	1	1166
+[C:1]-[O:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[C:1]-[O:2]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:14]	2	1167,1168
+[C:1]-[O:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[C:1]-[O:2]-[Si:7](-[C:8])(-[C:9])-[C:10](-[C:11])(-[C:12])-[C:13].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:14]	1	1169
+[C:1]-[O:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:10].[C:1]-[O:2]-[C:7](-[C:8])=[O:9]	1	1170
+[C:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1>>[S:3](=[O:4])(=[O:5])(-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1)-[Cl:16].[C:1]-[O:2]-[C:13](-[C:14])=[O:15]	1	1171
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[I:6].[c:3](:[c:4])(:[c:5])-[N:9].[O:2]=[N:7]-[O:8]	1	1172
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2]-[Si:6](-[C:7](-[C:8])(-[C:9])-[C:10])(-[C:11])-[C:12].[c:3](:[c:4])(:[c:5])-[O:13]	2	1173,1174
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2].[c:3](:[c:4])(:[c:5])-[O:6]	3	1175,1176,1177
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[N+:7](=[O:8])-[O-:9].[C:1]-[I:6].[O:2]	1	1178
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[N:7].[C:1]-[I:6].[O:2]	1	1179
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:1]-[O:2]	1	1180
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[O:6]-[C:7].[C:1]-[O:2]	1	1181
+[C:1]-[O:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[O:2].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[O:8]	1	1182
+[C:1]-[O:2]-[c:3](:[n:4]:[n:5]):[c:6]>>[C:1]-[O:2].[c:3](:[n:4]:[n:5])(:[c:6])-[O:7]	1	1183
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	2	1184,1185
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	2	1186,1187
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9].[C:1]-[O:2]	1	1188
+[C:1]-[O:5]-[C:4]-[C:3]-[N:2]>>[C:1]-[O:5].[N:2]-[C:3](-[C:4]-[Cl:7])=[O:6]	1	1189
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6]-[C:7]-1-[C:8]-[C:9]-[C:10]-[C:11]-[O:12]-1.[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:13]	1	1190
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:14]	1	1191
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6]-[C:7].[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:8]	2	1192,1193
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6]-[Si:7](-[C:8](-[C:9])(-[C:10])-[C:11])(-[C:12])-[C:13].[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:14]	3	1194,1195,1196
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:13].[C:1]-[O:6]-[C:7]-1-[C:8]-[C:9]-[C:10]-[C:11]-[O:12]-1	1	1197
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:9].[C:1]-[O:6]-[C:7]-[C:8]	1	1198
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1	1	1199
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[N:5](-[C:6])(-[C:7])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1200
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	2	1201,1202
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1203
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1.[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1204
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6]-[C:7]=[C:8])-[C:9]>>[N:5](-[C:6]-[C:7]=[C:8])(-[C:9])-[C:11](=[O:12])-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:10]	1	1205
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6]-[c:7]>>[N:5]#[C:6]-[c:7].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1206
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7].[N+:5](-[c:6])(=[O:8])-[O-:9]	1	1207
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7].[N:5](-[c:6])-[C:8](-[O:9]-[C:10])=[O:11]	1	1208
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[O:7].[N:5]-[c:6]	1	1209
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[C:7]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[O:5]=[C:6](-[C:7])-[O:9]-[C:10]	1	1210
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[C:7]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[O:5]=[C:6](-[C:7])-[O:9]-[C:10]-[C:11]	1	1211
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[C:7]>>[O:5](-[C:6](-[C:7])=[O:9])-[C:10].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1212
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[C:7]>>[O:5]-[C:6](-[C:7])=[O:9].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1213
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[c:7]>>[O:5]=[C:6]-[c:7].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1214
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7].[O:5](-[C:6])-[C:8]-1-[C:9]-[C:10]-[C:11]-[C:12]-[O:13]-1	1	1215
+[C:1]-[S:2]-[C:3]-[C:4]>>[C:3](-[C:4])(-[O:5])=[O:6].[C:1]-[S:2]	1	1216
+[C:1]-[S:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[C:1]-[S:2]	2	1217,1218
+[C:1]-[S:2]-[C:3]-[c:4]>>[C:1]-[S:2].[C:3](-[c:4])-[O:5]	1	1219
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[C:7]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:8].[O:5](-[C:6](-[C:7])=[O:10])-[C:9]	1	1220
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[C:7]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:8].[O:5]=[C:6]-[C:7]	1	1221
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[c:7](:[c:8]):[n:9]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:10].[O:5]=[C:6](-[c:7](:[c:8]):[n:9])-[O:11]-[C:12]-[C:13]	1	1222
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[c:7]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:8].[O:5]=[C:6](-[c:7])-[O:9]	1	1223
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]>>[O:5](-[C:6])-[C:8].[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:7]	1	1224
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[c:6]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:7].[O:5](-[c:6])-[C:8]	2	1225,1226
+[C:1]-[Si:2](-[O:3]-[C:4](=[C:5]-[C:6])-[C:7])(-[C:8])-[C:9]>>[C:1]-[Si:2](-[C:8])(-[C:9])-[O:10]-[S:11](=[O:12])(=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[O:3]-1-[C:4](-[C:5]-[C:6])(-[C:7])-[O:18]-[C:19]-[C:20]-1	1	1227
+[C:1]-[Si:2](-[O:3]-[C:4]-[C:5])(-[C:6])-[C:7]>>[C:1]-[Si:2](-[C:6])(-[C:7])-[Cl:8].[O:3]=[C:4](-[C:5])-[O:9]-[C:10]	1	1228
+[C:1]-[Si:2](-[O:3]-[C:4]-[C:5])(-[C:6])-[C:7]>>[O:3]-[C:4](-[C:5])=[O:9].[C:1]-[Si:2](-[C:6])(-[C:7])-[Cl:8]	1	1229
+[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](-[O:6]):[c:7](:[c:8]):[c:10](:[c:9]):[n:11]:1>>[c:7](:[c:8]):[c:10](:[c:9])-[N+:11](=[O:16])-[O-:17].[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:12]-[C:13]-[C:14])=[O:15]	1	1230
+[C:1]-[c:2]:1:[c:3](-[c:4]):[n:5](-[C:6]):[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:6]-[I:13].[C:1]-[C:2]-[C:3](-[c:4])=[O:11].[N:5](-[c:7](:[c:8]:[c:9]):[c:10])-[N:12]	1	1231
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[n:8]:[n:9]:1>>[C:4](-[C:5](=[O:6])-[O:7])(=[O:10])-[O:12]-[C:13]-[C:14].[C:1]-[C:2](-[C:3])=[O:11].[N:8]-[N:9]	1	1232
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[n:8]:[n:9]:1>>[C:4](-[C:5](=[O:6])-[O:7])(=[O:10])-[O:12]-[C:13]-[C:14].[N:8]-[N:9].[C:1]-[C:2](-[C:3])=[O:11]	1	1233
+[C:1]-[c:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[C:1]-[C:2]#[C:3].[C:4](-[c:5])=[O:8].[N:6]-[O:7]	1	1234
+[C:1]-[c:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:6]-[O:7].[C:1]-[C:2]#[C:3].[C:4](-[c:5])=[O:8]	1	1235
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1-[C:9]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7](:[c:6])-[N:8]-[C:9])-[I:10]	1	1236
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7](:[c:6])-[N:8])-[I:9]	1	1237
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7](:[c:6])-[N:8]-[S:10](-[C:9])(=[O:11])=[O:12])-[I:13]	1	1238
+[C:1]-[c:2]:1:[c:3]:[c:4](:[n:5]:[c:6](-[c:7]):[n:8]:1)-[Cl:9]>>[C:1]-[C:2](-[C:3]-[C:4](=[O:14])-[O:15]-[C:16]-[C:17])=[O:18].[Cl:9]-[P:10](=[O:11])(-[Cl:12])-[Cl:13].[N:5]-[C:6](-[c:7])=[N:8]	1	1239
+[C:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2]#[C:3].[c:4]:1(:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10])-[I:11]	1	1240
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[C:10]):[c:11]:[c:12]:1>>[O:9](-[C:10])-[C:14](-[C:15])=[O:16].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:13]):[c:11]:[c:12]:1	1	1241
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[C:10]-[C:11]):[c:12]:[c:13]:1>>[O:9]=[C:10](-[C:11])-[O:15]-[C:16]-[C:17].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:14]):[c:12]:[c:13]:1	2	1242,1243
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[C:10]-[C:11]):[c:12]:[c:13]:1>>[O:9]=[C:10](-[C:11])-[O:15].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:14]):[c:12]:[c:13]:1	1	1244
+[C:1]-[c:2]:1:[c:3]:[n:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2](-[C:3]-[Br:11])=[O:12].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[Cl:13].[N:10]	1	1245
+[C:1]-[c:2]:1:[c:3]:[n:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2](-[C:3]-[Br:11])=[O:12].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[O:13].[N:10]	1	1246
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:[c:9]:1-[O:10]>>[N:6]-[C:7].[C:1]-[C:2]-1=[C:3]-[N:4]-[C:5](-[N:8]-[C:9]-1=[O:10])=[S:11]	1	1247
+[C:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[N:6]):[n:7]:1>>[C:1]-[C:2](-[C:3])=[O:8].[S:4]=[C:5](-[N:6])-[N:7]	1	1248
+[C:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[N:6]):[n:7]:1>>[C:1]-[C:2](-[C:3]-[Br:8])=[O:9].[S:4]=[C:5](-[N:6])-[N:7]-[C:10](=[O:11])-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	1	1249
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[C:1]-[C:2](=[O:8])-[Cl:9].[N:6]-[O:7].[N:3]#[C:4]-[C:5]	1	1250
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:2:[c:7]:[n:8]:[c:9]:[c:10]:[n:11]:1:2>>[C:1]-[C:2](=[O:12])-[Cl:13].[N:3]-[C:4](-[c:5])-[c:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:[n:11]:1	1	1251
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[n:7]:1>>[C:1]-[C:2](=[O:8])-[O:10].[N:3]-[C:6]-[C:4](-[c:5])=[O:9].[N:7]	1	1252
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[C:1]-[C:2]#[N:3].[S:7]=[P:8](-[O:9]-[C:10]-[C:11])(-[O:12])-[S:13]-[C:14]-[C:15].[C:4](-[c:5])(-[C:6]-[Br:16])=[O:17]	1	1253
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[C:1]-[C:2](=[O:8])-[O:9].[N:3]#[C:4]-[c:5].[N:6]-[O:7]	1	1254
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:3]#[C:4]-[c:5].[C:1]-[C:2](-[O:7])=[O:8].[N:6]-[O:9]	1	1255
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:3]#[C:4]-[c:5].[C:1]-[C:2](=[O:8])-[Cl:9].[N:6]-[O:7]	1	1256
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[C:1]-[C:2](-[N:8]-[c:5](:[c:4](-[N+:3](=[O:10])-[O-:11]):[c:7]):[c:6])=[O:9]	1	1257
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[N:3]-[c:4](:[c:5](:[c:6])-[N:8]):[c:7].[C:1]-[C:2](=[O:9])-[O:10]	1	1258
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[n:6]:1):[c:7]):[c:8]>>[C:1]-[C:2](=[O:9])-[O:10].[N:3]-[c:4](:[c:5](-[N+:6](=[O:11])-[O-:12]):[c:7]):[c:8]	1	1259
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[o:6]:1):[c:7]):[c:8]>>[C:1]-[C:2](=[O:9])-[O:10].[N:3]-[c:4](:[c:5](-[O:6]):[c:7]):[c:8]	1	1260
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[Cl:9]):[c:10]:1>>[C:1]-[C:2](-[C:10]-[C:8](=[O:15])-[O:16]-[C:17]-[C:18])=[O:19].[Cl:9]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[N:3]-[c:4](:[c:5]):[c:7]:[c:6]	1	1261
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[n:10]:1>>[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[N:10].[C:1]-[C:2](=[O:11])-[Cl:12]	1	1262
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](:[c:9]:1)-[Cl:10]>>[C:1]-[C:2](-[C:9]-[C:8](=[O:15])-[O:16]-[C:17]-[C:18])=[O:19].[Cl:10]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[N:3]-[c:4](:[c:5]):[c:7]:[c:6]	1	1263
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]>>[C:1]-[C:2](-[O:12]-[C:13])(-[O:14]-[C:15])-[O:16]-[C:17].[N+:3](-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[C:11])(=[O:18])-[O-:19]	2	1264,1265
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]>>[C:1]-[C:2](=[O:12])-[Cl:13].[N+:3](-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[C:11])(=[O:14])-[O-:15]	2	1266,1267
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]>>[N+:3](-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[C:11])(=[O:14])-[O-:15].[C:1]-[C:2](=[O:12])-[Cl:13]	1	1268
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2:[c:9](-[N:10]):[c:11]:1>>[C:1]-[C:2]-1=[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:11]-1)=[O:12].[N:10]	1	1269
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2:[c:9](-[N:10]-[C:11]):[c:12]:1>>[C:1]-[C:2]-1=[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:12]-1)=[O:13].[N:10]-[C:11]	1	1270
+[C:1]-[c:2]:1:[n:3]:[n:4](-[C:5]):[c:6](-[N:7]):[c:8]:1-[c:9]>>[C:1]-[C:2](=[O:10])-[O:11]-[C:12]-[C:13].[N:3]-[N:4]-[C:5].[C:6](#[N:7])-[C:8]-[c:9]	1	1271
+[C:1]-[c:2]:1:[n:3]:[n:4](-[C:5]):[c:6](-[c:7]):[c:8]:1-[Br:11]>>[Br:11]-[N:12]-1-[C:13](=[O:14])-[C:15]-[C:16]-[C:17]-1=[O:18].[N:3]-[N:4]-[C:5].[C:1]-[C:2](-[C:8]-[C:6](-[c:7])=[O:9])=[O:10]	1	1272
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[C:1]-[C:2](-[C:8]-[C:6]#[N:7])=[O:9].[N:4]-[c:5].[N:3](=[O:10])-[O:11]	1	1273
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[N:3]-[N:4]-[c:5].[C:1]-[C:2](-[C:8]-[C:6](-[N:7])=[O:10])=[O:9]	1	1274
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[N:4]-[c:5].[C:1]-[C:2](-[C:8]-[C:6]#[N:7])=[O:9].[N:3](=[O:10])-[O:11]	1	1275
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:8]:1-[c:7]>>[C:1]-[C:2](-[N:3]-[N:4])=[O:9].[C:5](-[C:6])(-[N:8]-[c:7])=[O:10]	1	1276
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:8]:1-[c:7]>>[C:5](-[C:6])(-[N:8]-[c:7])=[O:10].[C:1]-[C:2](-[N:3]-[N:4])=[O:9]	1	1277
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[o:7]:1>>[C:5](-[C:6])(=[O:7])-[O:9].[C:1]-[C:2](-[N:3]-[N:4])=[O:8]	1	1278
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[o:7]:1>>[C:1]-[C:2](=[O:7])-[O:8]-[C:9].[C:5](#[N:6])-[Br:10].[N:3]-[N:4]	1	1279
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[o:7]:1>>[C:5](#[N:6])-[Br:10].[N:3]-[N:4].[C:1]-[C:2](=[O:7])-[O:8]-[C:9]	1	1280
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]=[C:7]=[O:8]):[s:9]:1>>[C:1]-[C:2](=[O:10])-[O:11].[C:7](=[O:8])(-[Cl:12])-[Cl:13].[N:3]-[N:4]-[C:5](-[N:6])=[S:9]	1	1281
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[C:1]-[C:2](=[O:8])-[Cl:9].[N:3]-[N:4]-[C:5](-[c:6])=[O:7]	1	1282
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[C:1]-[C:2](=[O:8])-[O:9].[N:3]-[N:4]-[C:5](-[c:6])=[O:7]	1	1283
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[C:5](-[c:6])(=[O:7])-[O:9].[C:1]-[C:2](-[N:3]-[N:4])=[O:8]	1	1284
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6]):[n:9]:1:[c:8]:[c:7]>>[C:1]-[C:2](=[O:10])-[O:11].[N:3]-[N:4]-[c:5](:[c:6]):[n:9]:[c:8]:[c:7]	1	1285
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1:2>>[N:3]-[N:4].[c:5]:1(:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1)-[Cl:11].[C:1]-[C:2](=[O:12])-[O:13]-[C:14]	1	1286
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[c:10](:[c:9]):[n:11]:1:2>>[C:1]-[C:2](-[O:12]-[C:13]-[C:14])(-[O:15]-[C:16]-[C:17])-[O:18]-[C:19]-[C:20].[N:3]-[N:4].[c:5]:1(:[c:6]:[n:7]:[c:8]:[c:10](:[c:9]):[n:11]:1)-[Cl:21]	1	1287
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[C:7]>>[N:3](=[N+:4]=[N-:5])-[Si:8](-[C:9])(-[C:10])-[C:11].[C:1]-[C:2](=[O:12])-[O:13].[N:6]-[C:7]	1	1288
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[C:7]>>[N:6]-[C:7].[C:1]-[C:2](=[O:12])-[O:13].[N:3](=[N+:5]=[N-:4])-[Si:9](-[C:8])(-[C:10])-[C:11]	1	1289
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[c:7]>>[N:6]-[c:7].[C:1]-[C:2](=[O:12])-[Cl:13].[N:3](=[N+:4]=[N-:5])-[Si:9](-[C:8])(-[C:10])-[C:11]	1	1290
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2](-[N:3])=[O:7].[N+:4](=[N-:5])=[N-:6]	1	1291
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2](-[N:6]-[C:10]-[C:9]-[C:8]#[N:7])=[O:11].[N:3](=[N+:5]=[N-:4])-[Si:12](-[C:13])(-[C:14])-[C:15]	1	1292
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[N-:4]=[N+:5]=[N-:6].[C:1]-[C:2](-[N:3])=[O:7]	1	1293
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[N:6]-[C:10]-[C:9]-[C:8]#[N:7].[C:1]-[C:2](=[O:15])-[O:16].[N:3](=[N+:5]=[N-:4])-[Si:12](-[C:11])(-[C:13])-[C:14]	1	1294
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:1]-[C:2]#[N:7].[N:3]-[O:9].[O:4]-[C:5](-[C:6])=[O:8]	1	1295
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[N:6](-[C:7])-[C:8]):[n:9]:1>>[N:6](-[C:7])-[C:8].[C:5](#[N:10])-[Br:11].[C:1]-[C:2](-[N:3]-[O:4])=[N:9]	1	1296
+[C:1]-[n:2]:1:[c:3](-[N:4]-[c:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:3](=[N:4]-[c:5])=[S:13].[C:1]-[N:2]-[c:8](:[c:7](-[N+:6](=[O:11])-[O-:12]):[c:10]):[c:9]	1	1297
+[C:1]-[n:2]:1:[c:3](-[N:4]-[c:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:4]-[c:5].[C:1]-[N:2]-[c:8](:[c:7](-[N:6]):[c:10]):[c:9].[C:3](=[S:11])(-[N:12]-1-[C:13](=[O:14])-[C:15]=[C:16]-[C:17]=[C:18]-1)-[N:19]-2-[C:20]=[C:21]-[C:22]=[C:23]-[C:24]-2=[O:25]	1	1298
+[C:1]-[n:2]:1:[c:3](-[c:4]):[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:1]-[N:2]-[c:7](:[c:6](-[N+:5](=[O:10])-[O-:11]):[c:9]):[c:8].[C:3](-[c:4])=[O:12]	1	1299
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:1]-[N:2]-[c:6](:[c:5](-[N+:4](=[O:9])-[O-:10]):[c:8]):[c:7].[C:3](=[O:11])-[O:12]	1	1300
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:3](=[O:11])-[O:12].[C:1]-[N:2]-[c:6](:[c:5](-[N+:4](=[O:9])-[O-:10]):[c:8]):[c:7]	1	1301
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:2>>[C:1]-[N:2]-[c:6]:1:[c:5](-[N+:4](=[O:11])-[O-:12]):[c:10]:[n:9]:[c:8]:[c:7]:1.[C:3](-[O:13]-[C:14]-[C:15])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:20]-[C:21]	1	1302
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:2>>[C:3](-[O:13]-[C:14]-[C:15])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:20]-[C:21].[C:1]-[N:2]-[c:6]:1:[c:5](-[N+:4](=[O:11])-[O-:12]):[c:10]:[n:9]:[c:8]:[c:7]:1	1	1303
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[C:7]>>[C:1]-[N:2].[C:5]-1-[C:6](-[C:7])(-[O:9]-[C:10]-[C:11](-[C:12]-[O:13])(-[O:14])-[O:15]-1)-[O:16].[C:3](#[N:4])-[S:8]	1	1304
+[C:1]-[n:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1-[c:7]>>[C:1]-[N:2]-[N:3].[C:5]-[C:6](-[c:7])=[O:11].[C:4](-[N:9](-[C:8])-[C:10])(-[O:12]-[C:13])-[O:14]-[C:15]	2	1305,1306
+[C:1]=[C:2](-[C:3])-[C:4]-[c:5](:[c:6]):[c:7]>>[C:1]=[C:2](-[C:3])-[C:4]-[Cl:8].[c:5](:[c:6]):[c:7]	1	1307
+[C:1]=[C:2]-[C:3](-[N:4]-[S:5](=[O:6])(=[O:7])-[C:8])=[C:9](-[O:10])-[N:11]>>[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:14].[C:1]=[C:2]-[C:3](-[N+:4](=[O:12])-[O-:13])=[C:9](-[O:10])-[N:11]	1	1308
+[C:1]=[C:2]-[C:3](-[O:4])-[c:5]>>[C:1]=[C:2]-[Mg:6]-[Br:7].[C:3](-[O:4])-[c:5]	1	1309
+[C:1]=[C:2]-[C:3](-[O:4])-[c:5]>>[C:1]=[C:2]-[Mg:6]-[Br:7].[C:3](=[O:4])(-[c:5])-[O:8]	1	1310
+[C:1]=[C:2]-[C:3](-[O:4]-[C:5]-[c:6])=[C:7]-[C:8]>>[C:5](-[c:6])-[Br:16].[C:1]=[C:2]-[C:3](-[O:4]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)=[C:7]-[C:8]	1	1311
+[C:1]=[C:2]-[C:3](=[O:4])-[C:5]>>[C:1]=[C:2]-[Mg:6]-[Br:7].[C:3](=[O:4])(-[C:5])-[O:8]	1	1312
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:8].[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15]	2	1313,1314
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:8]-[C:9].[N:5](-[C:6])-[C:7]	1	1315
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[O:6]>>[N:5]-[O:6].[C:1]=[C:2]-[C:3](=[O:4])-[O:7]-[C:8]	1	1316
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:7].[N+:5](-[c:6])(=[O:8])-[O-:9]	3	1317,1318,1319
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:7].[N:5](-[c:6])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	1320
+[C:1]=[C:2]-[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[C:1]=[C:2]-[C:3]-[C:4]-[Br:8].[N:5](-[C:6])(-[C:7])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1321
+[C:1]=[C:2]-[C:3]-[O:4]-[c:5]>>[C:1]=[C:2]-[C:3]-[Br:6].[O:4](-[c:5])-[C:7]	2	1322,1323
+[C:1]=[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]=[C:2]-[C:3]-[Br:7].[c:4](:[c:5]):[c:6]	4	1324,1325,1326,1327
+[C:1]=[C:2]-[C:3]=[C:4]-[C:5](-[O:6])-[C:7]-[C:8](=[O:9])-[C:10]>>[C:7]-[C:8](=[O:9])-[C:10].[C:1]=[C:2]-[C:3]=[O:11].[C:4](-[C:5]=[O:6])=[P:12](-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)(-[c:19]:2:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:2)-[c:25]:3:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:3	1	1328
+[C:1]=[C:2]-[C:3]>>[C:2](-[C:3])-[O:4].[C:1]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	1329
+[C:1]=[C:2]-[S:3](=[O:4])(=[O:5])-[N:6]-[C:7]-[C:8]>>[C:1](-[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:9])-[Cl:10].[C:7](-[C:8])-[O:21].[N:6]-1-[C:12](-[c:11]:2:[c:16](-[C:15]-1=[O:14]):[c:17]:[c:18]:[c:19]:[c:20]:2)=[O:13]	1	1330
+[C:1]=[C:2]-[S:3](=[O:4])(=[O:5])-[N:6]-[C:7]>>[N:6]-1(-[C:7])-[C:10](-[c:11]:2:[c:12](-[C:13]-1=[O:14]):[c:15]:[c:16]:[c:17]:[c:18]:2)=[O:19].[C:1](-[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:8])-[Cl:9]	1	1331
+[C:1]=[C:2]-[c:3]>>[C:2](-[c:3])-[O:4].[C:1]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	1332
+[Cl:1]-[C:2](-[C:3])-[c:4]>>[Cl:1]-[S:6](-[C:7])(=[O:8])=[O:9].[C:2](-[C:3])(-[c:4])=[O:5]	1	1333
+[Cl:1]-[C:2](-[c:3])-[c:4]>>[Cl:1]-[S:5](=[O:6])-[Cl:7].[C:2](-[c:3])(-[c:4])=[O:8]	1	1334
+[Cl:1]-[C:2]-[C:3]>>[Cl:1]-[S:5](=[O:6])-[Cl:7].[C:2](-[C:3])(=[O:4])-[O:8]-[C:9]-[C:10]	1	1335
+[Cl:1]-[C:2]-[c:3]>>[Cl:1]-[S:4](=[O:5])-[Cl:6].[C:2](-[c:3])=[O:7]	1	1336
+[Cl:1]-[c:2](:[n+:3](:[c:4]:[c:5])-[O-:7]):[c:6]>>[Cl:1]-[P:8](=[O:9])(-[Cl:10])-[Cl:11].[O:7]-[O:12]-[C:13](=[O:14])-[c:15]:1:[c:16]:[c:17](:[c:18]:[c:19]:[c:20]:1)-[Cl:21].[c:2](:[n:3]:[c:4]:[c:5]):[c:6]	1	1337
+[Cl:1]-[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[Cl:1]-[P:7](=[O:8])(-[Cl:9])-[Cl:10].[c:2](:[n:3]:[c:4]:[c:5]):[c:6]	1	1338
+[Cl:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8]:[c:9]:1>>[Cl:1]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[C:2](-[N:3]-[c:4](:[c:5]):[c:7]:[c:6])(-[C:9]=[C:8]-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)=[O:10]	1	1339
+[Cl:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8]:[c:9]:1>>[N:3]-[c:4](:[c:5]):[c:7]:[c:6].[Cl:1]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[C:2](-[C:9]=[C:8]-[c:19]:1:[c:18]:[c:17]:[c:16]:[c:15]:[c:20]:1)(=[O:10])-[Cl:21]	1	1340
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[C:7]-[C:8]=[O:9]>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[O:10].[C:7]-[C:8]=[O:9]	1	1341
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-1(-[c:6])-[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[N:12]-[O:13]-1>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])(-[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[O:14])-[O:15].[N:12]-[O:13]	1	1342
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-1(-[c:6])-[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[N:12]-[O:13]-1>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[O:15].[N:12]-[O:13].[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[O:14]	1	1343
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-1(-[c:6])-[C:7]-[C:8](-[c:9])=[N:10]-[O:11]-1>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[C:7].[N:10]-[O:11].[C:8](-[c:9])=[O:12]	1	1344
+[N+:1]-[C:2]-[C:3]-[c:4]>>[N+:1]-[C:2].[C:3](-[c:4])=[O:5]	1	1345
+[N-:1]=[C:2]=[C:3]-1-[C:4]=[C:5]-[C:6]=[C:7](-[C:8])-[N+:9]-1=[O:10]>>[c:3]:1:[c:4]:[c:5]:[c:6]:[c:7](-[C:8]):[n:9]:1.[N:1]#[C:2]-[Si:11](-[C:12])(-[C:13])-[C:14].[O:10]-[O:15]-[C:16](=[O:17])-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22](-[Cl:23]):[c:24]:1	1	1346
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[C:4](-[C:5])(-[O:6]-[C:8]-[C:7])=[O:9].[N-:1]=[N+:2]=[N-:3]	1	1347
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[C:4](-[C:5])-[O:6].[N-:1]=[N+:2]=[N-:3]	3	1348,1349,1350
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[N-:1]=[N+:2]=[N-:3].[C:4](-[C:5])-[O:6]	3	1351,1352,1353
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[N-:1]=[N+:2]=[N-:3].[C:4](-[C:5])-[O:6]-[C:7]-[C:8]	1	1354
+[N-:1]=[N+:2]=[N:3]-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1>>[N-:1]=[N+:2]=[N-:3].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[O:10]	1	1355
+[N-:1]=[N+:2]=[N:3]-[c:4]>>[N-:1]=[N+:2]=[N-:5].[N+:3](-[c:4])(=[O:6])-[O-:7]	1	1356
+[N:1]#[C:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:17].[N+:1](#[C-:2])-[C:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13]	1	1357
+[N:1]#[C:2]-[C:3](-[N:4]-[C:5](=[O:6])-[O:7])(-[C:8])-[C:9]>>[C:3](-[C:8])(-[C:9])=[O:10].[N:1]#[C:2].[N:4].[C:5](=[O:6])(-[O:7])-[Cl:11]	1	1358
+[N:1]#[C:2]-[C:3](=[C:4](-[c:5])-[Cl:9])-[C:7](-[N:6])=[O:8]>>[N:1]-[C:21]-1-[C:10]-[C:11]-[C:12]-[C:13]-[C:14]-1.[Cl:9]-[P:16](=[O:17])(-[Cl:18])-[Cl:19].[C:2](-[C:3](=[C:4](-[c:5])-[O:15])-[C:7](-[N:6])=[O:8])(=[O:20])-[O:22]-[C:23]-[C:24]	1	1359
+[N:1]#[C:2]-[C:3](=[C:4]-[C:5])-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[C:4](-[C:5])=[O:12].[N:1]#[C:2]-[C:3]-[C:6](=[O:7])-[O:11].[N:8](-[C:9])-[C:10]	3	1360,1361,1362
+[N:1]#[C:2]-[C:3](=[C:4]-[C:5])-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[C:4](-[C:5])=[O:19].[N:8](-[C:9])(-[C:10])-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N:1]#[C:2]-[C:3]-[C:6](=[O:7])-[O:11]	2	1363,1364
+[N:1]#[C:2]-[C:3]-[C:4](-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])=[O:7].[N:1]#[C:2]-[C:3]-[P:8](-[O:9]-[C:10]-[C:11])(=[O:12])-[O:13]-[C:14]-[C:15]	1	1365
+[N:1]#[C:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[N:1]#[C:2]	2	1366,1367
+[N:1]#[C:2]-[C:3]-[C:4]>>[N:1]#[C:2].[C:3](-[C:4])-[O:5]	3	1368,1369,1370
+[N:1]#[C:2]-[C:3]-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:3]=[O:9].[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1.[N:1]#[C:2]	1	1371
+[N:1]#[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])(=[O:5])-[O:6].[N:1]#[C:2]	1	1372
+[N:1]#[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[O:5].[N:1]#[C:2]	3	1373,1374,1375
+[N:1]#[C:2]-[C:3]-[c:4]>>[N:1]#[C:2].[C:3](-[c:4])(-[O:5])=[O:6]	2	1376,1377
+[N:1]#[C:2]-[C:3]-[c:4]>>[N:1]#[C:2].[C:3](-[c:4])-[O:5]	2	1378,1379
+[N:1]#[C:2]-[C:3]-[c:4]>>[N:1]#[C:2].[C:3]-[c:4]	2	1380,1381
+[N:1]#[C:2]-[C:3]>>[C:2](-[C:3])(=[O:4])-[O:5].[N:1]	1	1382
+[N:1]#[C:2]-[c:3](:[c:4]):[c:5]>>[N:1]#[C:2].[c:3](:[c:4]):[c:5]	1	1383
+[N:1]#[C:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[c:3](:[c:4]):[n+:7](:[c:6]:[c:5])-[O-:8].[N:1]#[C:2]-[Si:9](-[C:10])(-[C:11])-[C:12]	1	1384
+[N:1]#[C:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[c:3](:[c:4]):[n:7]:[c:6]:[c:5].[N:1]#[C:2]-[Si:8](-[C:9])(-[C:10])-[C:11]	1	1385
+[N:1]#[C:2]-[c:3](:[c:4]:[n:5]):[c:6]>>[N:1]#[C:2].[c:3](:[c:4]:[n:5]):[c:6]	1	1386
+[N:1]#[C:2]-[c:3](:[n:4]):[c:5]>>[N:1]-[O:6].[C:2](-[c:3](:[n:4]):[c:5])-[O:7]	1	1387
+[N:1]#[C:2]-[c:3](:[n:4]):[c:5]>>[N:1]-[O:6].[C:2](-[c:3](:[n:4]):[c:5])=[O:7]	1	1388
+[N:1]#[C:2]-[c:3]:1:[c:4]:[c:5](-[c:6]):[c:7](-[c:8]):[n:9]:[c:10]:1-[Cl:11]>>[C:4](=[C:5](-[c:6])-[C:7](-[c:8])=[O:17])-[N:18](-[C:19])-[C:20].[Cl:11]-[P:12](=[O:13])(-[Cl:14])-[Cl:15].[N:1]#[C:2]-[C:3]-[C:10](-[N:9])=[O:16]	1	1389
+[N:1]#[C:2]-[c:3]:1:[c:4]:[c:5](-[c:6]):[c:7](-[c:8]):[n:9]:[c:10]:1-[O:11]>>[N:1]#[C:2]-[C:3]-[C:10](-[N:9])=[O:11].[C:4](-[N:13](-[C:12])-[C:14])(-[O:16]-[C:17])-[O:18]-[C:19].[C:5](-[c:6])-[C:7](-[c:8])=[O:15]	1	1390
+[N:1]#[C:2]-[c:3]:[c:4]:[n:5]>>[N:1]-[O:6].[C:2](-[c:3]:[c:4]:[n:5])=[O:7]	1	1391
+[N:1]#[C:2]-[c:3]>>[C:2](-[c:3])(=[O:4])-[O:5].[N:1]	1	1392
+[N:1]#[C:2]-[c:3]>>[C:2](-[c:3])=[O:5].[N:1]-[O:4]	1	1393
+[N:1]#[C:2]-[c:3]>>[N:1].[C:2](-[c:3])(-[O:4])=[O:5]	1	1394
+[N:1]#[C:2]-[c:3]>>[N:1].[C:2](-[c:3])(=[O:4])-[O:5]-[C:6]	1	1395
+[N:1](-[C:2](-[C:3])-[C:4])-[C:5]>>[C:2](-[C:3])(-[C:4])=[O:13].[N:1](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	1396
+[N:1](-[C:2](-[C:3])-[c:4])=[N+:6]=[N-:5]>>[C:2](-[C:3])(-[c:4])=[O:7].[N:1](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	1	1397
+[N:1](-[C:2](=[O:3])-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8])-[C:9]>>[C:2](=[O:3])(-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:1](-[C:9])=[N+:10]=[N-:11]	2	1398,1399
+[N:1](-[C:2](=[O:3])-[c:4](:[c:5]:[o:6]):[n:7])-[c:8]>>[C:2](=[O:3])(-[c:4](:[c:5]:[o:6]):[n:7])-[O:11].[N+:1](-[c:8])(=[O:9])-[O-:10]	1	1400
+[N:1](-[C:2])(-[C:3])-[C:12](-[O:11])=[O:13]>>[N:1](-[C:2])(-[C:3])-[C:4]-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1.[O:11]-[C:12](=[O:13])-[Cl:14]	1	1401
+[N:1](-[C:2])(-[c:3])-[C:5](=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]>>[C:2]-[I:17].[O:4]=[C:5](-[C:6](-[F:7])(-[F:8])-[F:9])-[O:10]-[C:11](=[O:12])-[C:13](-[F:14])(-[F:15])-[F:16].[N:1]-[c:3]	1	1402
+[N:1](-[C:2])-[C:3]-[C:4]>>[N:1]-[C:2].[C:3](-[C:4])-[O:5]	1	1403
+[N:1](-[C:2])-[C:4](=[O:3])-[C:5](-[F:6])(-[F:7])-[F:8]>>[N:1](-[C:2])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[O:3]=[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])-[O:16]-[C:17]-[C:18]	1	1404
+[N:1](-[C:2])-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]>>[N:1](-[C:2])=[N+:10]=[N-:11].[C:3]-[C:4](-[C:5])(-[C:6])-[O:7]-[C:8](=[O:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	1405
+[N:1](-[C:2])-[c:3]>>[C:2]-[I:10].[N:1](-[c:3])-[C:5](=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]	1	1406
+[N:1](-[C:2])-[c:3]>>[C:2]-[I:4].[N:1]-[c:3]	1	1407
+[N:1](-[C:2]-[C:3])(-[C:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]>>[C:5]-[C:6](-[C:7])(-[C:8])-[O:9]-[C:10](=[O:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[N:1](-[C:2](-[C:3])=[O:12])-[C:4]	1	1408
+[N:1](-[C:2]-[C:3])-[C:4]>>[C:2](-[C:3])(-[O:5])=[O:6].[N:1]-[C:4]	1	1409
+[N:1](-[C:2]-[C:3])-[C:4]>>[C:2](-[C:3])(-[O:5]-[C:7])=[O:6].[N:1]-[C:4]	1	1410
+[N:1](-[C:2]-[C:3])-[C:4]>>[C:2](-[C:3])-[O:5].[N:1]-[C:4]	2	1411,1412
+[N:1](-[C:2]-[C:3])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]>>[C:2](-[C:3])-[O:21]-[S:22](-[C:23])(=[O:24])=[O:25].[C:4]-[C:5](-[C:6])(-[C:7])-[O:8]-[C:9](=[O:10])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N-:1]=[N+:20]=[N-:19]	1	1413
+[N:1](-[C:2]-[C:3])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]>>[C:2](-[C:3])-[O:21].[C:4]-[C:5](-[C:6])(-[C:7])-[O:8]-[C:9](=[O:10])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N-:1]=[N+:20]=[N-:19]	1	1414
+[N:1](-[C:2]-[C:3])-[c:4]>>[C:2](-[C:3])-[O:5].[N:1]-[c:4]	1	1415
+[N:1](-[C:2]-[C:3])=[N+:5]=[N-:4]>>[C:2](-[C:3])(=[O:6])-[O:7].[N-:1]=[N+:5]=[N-:4]	1	1416
+[N:1](-[C:2]-[C:3])=[N+:5]=[N-:4]>>[C:2](-[C:3])-[O:6].[N-:1]=[N+:5]=[N-:4]	1	1417
+[N:1](-[C:2]-[C:3])=[N+:5]=[N-:4]>>[N-:1]=[N+:5]=[N-:4].[C:2](-[C:3])-[O:6]	3	1418,1419,1420
+[N:1](-[C:2]-[c:3])-[C:4]>>[N:1]-[C:4].[C:2](-[c:3])(=[O:5])-[O:6]	1	1421
+[N:1](-[C:2]-[c:3])-[c:4]>>[N+:1](-[c:4])(=[O:5])-[O-:6].[C:2](-[c:3])=[O:7]	1	1422
+[N:1](-[C:2]-[c:3])=[N+:4]=[N-:5]>>[N-:1]=[N+:4]=[N-:5].[C:2]-[c:3]	1	1423
+[N:1](-[C:2]-[c:3])=[N+:5]=[N-:4]>>[C:2]-[c:3].[N-:1]=[N+:5]=[N-:4]	1	1424
+[N:1](-[c:2](:[c:3]:[n:4]):[c:6]:[n:5])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]>>[C:7]-[C:8](-[C:9])(-[C:10])-[O:11].[N:1](=[N+:15]=[N-:16])-[P:17](=[O:18])(-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1)-[c:25]:2:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:2.[c:2](:[c:3]:[n:4])(:[c:6]:[n:5])-[C:12](=[O:13])-[O:14]-[C:31]-[C:32]	1	1425
+[N:1](-[c:2])-[C:6](=[O:5])-[C:7](-[F:8])(-[F:9])-[F:10]>>[O:5]=[C:6](-[C:7](-[F:8])(-[F:9])-[F:10])-[O:11]-[C:12](=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[N+:1](-[c:2])(=[O:3])-[O-:4]	1	1426
+[N:1](-[c:2])=[N+:3]=[N-:4]>>[N+:3](=[N-:4])=[N-:7].[N+:1](-[c:2])(=[O:5])-[O-:6]	1	1427
+[N:1](-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1)-[C:11](-[O:10])=[O:12]>>[N:1](=[C:2]=[S:13])-[C:11](-[O:10])=[O:12].[n:4](:[c:5]:[c:6]):[c:8](:[c:7])-[N:9].[N:3]-[O:14]	1	1428
+[N:1](=[C:2]-[c:3](:[n:4]):[c:5])-[O:6]>>[N:1]-[O:6].[C:2](-[c:3](:[n:4]):[c:5])-[O:7]	1	1429
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+[N:1]-1-[C:2](=[O:3])-[C:4](-[N:5]-[C:6])=[C:7]-[S:8]-1>>[N:5](-[C:6])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[N:1]-1-[C:2](=[O:3])-[C:4](=[C:7]-[S:8]-1)-[Cl:9]	1	1431
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+[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[N:6]-[c:7](:[n:8]):[c:9])-[C:10]-1=[O:11]>>[N+:6](-[c:7](:[n:8]):[c:9])(=[O:13])-[O-:14].[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[C:10]-1=[O:11])-[Br:12]	1	1434
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+[N:1]-[C:2](-[C:3])-[C:4]>>[C:2](-[C:3])(-[C:4])=[O:6].[N:1]-[O:5]	1	1436
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+[N:1]-[C:2](-[c:3](:[c:4]):[c:5])=[N:6]-[O:7]>>[N:1]#[C-:2]~[Cu+:8].[N:6]-[O:7].[c:3](:[c:4])(:[c:5])-[Br:9]	1	1441
+[N:1]-[C:2](-[c:3])=[O:4]>>[C:2](-[c:3])(=[O:4])-[O:5].[N:1]	1	1442
+[N:1]-[C:2](-[c:3])=[O:4]>>[N:1].[C:2](-[c:3])(-[O:4]-[C:6])=[O:5]	1	1443
+[N:1]-[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)=[O:8]>>[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)(=[O:8])-[O:9]-[C:10]-[C:11].[N:1]	1	1444
+[N:1]-[C:2](=[C:3](-[N:4])-[C:5](=[O:6])-[N:7])-[N:8]>>[N:1]-[C:2](=[C:3]-[C:5](=[O:6])-[N:7])-[N:8].[N:4](=[O:9])-[O:10]	1	1445
+[N:1]-[C:2](=[C:3](-[N:4])-[N:5])-[C:7](-[N:6])=[O:8]>>[C:2](=[C:3](-[N:4])-[N:5])-[C:7](-[N:6])=[O:8].[N:1](=[O:9])-[O:10]	1	1446
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])=[C:7](-[c:8])-[Cl:9]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:14])-[O:22]-[C:23]-[C:24])=[C:7](-[c:8])-[O:15].[N:6]-[C:16]-1-[C:17]-[C:18]-[C:19]-[C:20]-[C:21]-1.[Cl:9]-[P:10](=[O:11])(-[Cl:12])-[Cl:13]	1	1447
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:16].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15]	1	1448
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:16].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15]	1	1449
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:9]-[C:10].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]	2	1450,1451
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[C:6](=[O:7])(-[C:8])-[O:16]	1	1452
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[C:8])-[O:9]	1	1453
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8](:[c:9]):[o:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[C:6](=[O:7])(-[c:8](:[c:9]):[o:10])-[O:18]	1	1454
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8])-[O:9]-[C:10]-[C:11]	1	1455
+[N:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[C:7](=[O:8])-[C:9]>>[C:7](=[O:8])(-[C:9])-[O:17].[N:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16]	1	1456
+[N:1]-[C:2](=[O:3])-[C:4]>>[C:2](-[O:3]-[C:6]-[C:7])(-[C:4])=[O:5].[N:1]	1	1457
+[N:1]-[C:2](=[O:3])-[C:4]>>[C:2](=[O:3])(-[C:4])-[O:5]-[C:6].[N:1]	1	1458
+[N:1]-[C:2](=[O:3])-[C:4]>>[N:1].[C:2](=[O:3])(-[C:4])-[O:5]-[C:6]	1	1459
+[N:1]-[C:2](=[O:3])-[C:4]>>[N:1].[C:2](=[O:3])(-[C:4])-[O:5]-[C:6]-[C:7]	2	1460,1461
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+[N:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[N:1]-[C:2](=[O:3])-[O:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	1463
+[N:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4](-[C:5])-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:1]-[C:2](=[O:3])-[O:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	1464
+[N:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:1]-[C:2](=[O:3])-[O:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[N+:4](-[c:5])(=[O:13])-[O-:14]	1	1465
+[N:1]-[C:2](=[O:3])-[c:4](:[c:5]):[s:6]>>[C:2](=[O:3])(-[c:4](:[c:5]):[s:6])-[O:7]-[C:8]-[C:9].[N:1]	1	1466
+[N:1]-[C:2](=[O:3])-[c:4]:[c:5]:[n:6]>>[C:2](=[O:3])(-[c:4]:[c:5]:[n:6])-[O:7]-[C:8]-[C:9].[N:1]	1	1467
+[N:1]-[C:2](=[O:3])-[c:4]>>[C:2](=[O:3])(-[c:4])-[O:5]-[C:6]-[C:7].[N:1]	1	1468
+[N:1]-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[N:7]-[C:8]>>[N:1]-[C:2](=[S:3])-[N:4].[N:7]-1(-[C:8])-[C:11](=[O:12])-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2-[C:19]-1=[O:20].[C:5](=[O:6])(-[C:9])-[O:10]	1	1469
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+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:6].[N-:1]=[N+:5]=[N-:4]	1	1487
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+[N:1]-[C:2]-[c:3]>>[N:1].[C:2](-[c:3])(=[O:4])-[O:5]	1	1513
+[N:1]-[C:2]-[c:3]>>[N:1].[C:2](-[c:3])(=[O:4])-[O:5]-[C:6]	1	1514
+[N:1]-[C:2]=[N:3]-[c:4]>>[N:1]-[C:2](-[O:5]-[C:6])-[O:7]-[C:8].[N+:3](-[c:4])(=[O:9])-[O-:10]	1	1515
+[N:1]-[C:6](=[C:5](-[C:3](-[N:2])=[O:4])-[N:8])-[N:7]>>[N:1]-[C:6](=[C:5]-[C:3](-[N:2])=[O:4])-[N:7].[N:8](=[O:9])-[O:10]	1	1516
+[N:1]-[C:7](-[C:5](=[C:3](-[N:2])-[N:4])-[N:6])=[O:8]>>[N:1]-[C:7](-[C:5]=[C:3](-[N:2])-[N:4])=[O:8].[N:6](-[O:9])=[O:10]	1	1517
+[N:1]-[N:2]-[C:3](-[c:4])=[O:5]>>[C:3](-[c:4])(=[O:5])-[O:6].[N:1]-[N:2]	1	1518
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:7]:[n:6]>>[C:3](=[O:4])(-[c:5]:[c:7]:[n:6])-[O:8]-[C:9].[N:1]-[N:2]	1	1519
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6].[N:1]-[N:2]	1	1520
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[N:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7]	1	1521
+[N:1]-[N:2]-[c:3]>>[N+:2](-[c:3])(=[O:6])-[O-:7].[N:1](=[O:4])-[O:5]	4	1522,1523,1524,1525
+[N:1]-[N:2]-[c:3]>>[N:1](=[O:4])-[O:5].[N+:2](-[c:3])(=[O:6])-[O-:7]	2	1526,1527
+[N:1]-[S:2](=[O:3])(=[O:4])-[c:5](:[c:6]):[c:7]>>[N:1].[S:2](=[O:3])=[O:4].[c:5](:[c:6])(:[c:7])-[N:8]	1	1528
+[N:1]-[c:2](:[c:3]):[c:4]>>[N+:1](-[O:5])(-[O-:6])=[O:7].[c:2](:[c:3]):[c:4]	3	1529,1530,1531
+[N:1]-[c:2](:[c:3]):[c:4]>>[N+:1](=[O:5])(-[O-:6])-[O:7].[c:2](:[c:3]):[c:4]	4	1532,1533,1534,1535
+[N:1]-[c:2](:[c:3]):[c:4]>>[N:1]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11].[c:2](:[c:3])(:[c:4])-[Br:12]	1	1536
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[C:5](=[O:6])-[O:7].[N:1](=[N+:8]=[N-:9])-[P:10](=[O:11])(-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)-[c:18]:2:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:2	2	1537,1538
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3]):[c:4].[N+:1](-[O:5])(-[O-:6])=[O:7]	1	1539
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3]):[c:4].[N+:1](=[O:5])(-[O-:6])-[O:7]	2	1540,1541
+[N:1]-[c:2](:[c:3]):[n:6]:[c:5]:[c:4]>>[c:2](:[c:3])(:[n:6]:[c:5]:[c:4])-[F:16].[N:1]-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:15]:[c:14]:1	2	1542,1543
+[N:1]-[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[c:2](:[n:3]:[c:4]:[c:5])(:[c:6])-[Cl:16].[N:1]-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:15]:[c:14]:1	1	1544
+[N:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[C:4](-[C:5])(=[O:8])-[O:9]-[C:10].[N:1]#[C:2]-[C:3].[N:6]-[O:7]	1	1545
+[N:1]-[c:2]:1:[c:3]:[c:4](:[n:5]):[n:6]:[c:7]:[c:8]:1>>[c:2]:1(:[c:3]:[c:4](:[n:5]):[n:6]:[c:7]:[c:8]:1)-[Br:16].[N:1]-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]	1	1546
+[N:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[s:6]:1>>[N+:1](-[O:7])(-[O-:8])=[O:9].[c:2]:1:[c:3]:[c:4]:[c:5]:[s:6]:1	1	1547
+[N:1]-[c:2]:1:[n+:3](:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10])-[O-:11]>>[O:11]-[O:12]-[C:13](-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18](-[Cl:19]):[c:20]:1)=[O:21].[N:1].[c:2]:1:[n:3]:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]	1	1548
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5](:[n:6]):[c:7]):[c:8]:[s:9]:1>>[C:4](-[c:5](:[n:6]):[c:7])(-[C:8]-[Br:18])=[O:19].[N:1]-[C:2](-[N:3]-[C:10](=[O:11])-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)=[S:9]	1	1549
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[C:4](-[c:5])(-[C:6]-[Br:16])=[O:17].[N:1]-[C:2](-[N:3]-[C:8](=[O:9])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)=[S:7]	1	1550
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[s:8]:1):[c:7]>>[N:1]#[C:2]-[S:8].[N+:3](-[c:4](:[c:5]:[c:6]):[c:7])(=[O:9])-[O-:10]	1	1551
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[s:6]:1):[c:7]):[c:8]>>[N+:3](-[c:4](:[c:5]:[c:7]):[c:8])(=[O:9])-[O-:10].[N:1]#[C:2]-[S:6]	1	1552
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]>>[N:1].[c:2]:1:[n+:3](:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10])-[O-:11]	1	1553
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]>>[N:1].[c:2]:1:[n:3]:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]	1	1554
+[N:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[s:6]:1):[c:7]:[n:8]:[c:9]:[c:10]:2>>[N:1](-[C:2](-[N:3]-[c:4]:1:[c:5]:[c:7]:[n:8]:[c:9]:[c:10]:1)=[S:6])-[C:11](=[O:12])-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2	1	1555
+[N:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6](-[c:7]):[n:8]:1>>[N:1]-[C:2](-[N:3])=[N:8].[C:4](-[N:10](-[C:9])-[C:11])(-[O:13]-[C:14])-[O:15]-[C:16].[C:5]-[C:6](-[c:7])=[O:12]	1	1556
+[N:1]-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1>>[N:1](-[C:2](-[N:9]-[c:8](:[n:4]:[c:5]:[c:6]):[c:7])=[S:15])-[C:13](-[O:12]-[C:11]-[C:10])=[O:14].[N:3]-[O:16]	1	1557
+[N:1]-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1>>[N:1](=[C:2]=[S:15])-[C:13](-[O:12]-[C:11]-[C:10])=[O:14].[n:4](:[c:5]:[c:6]):[c:8](:[c:7])-[N:9].[N:3]-[O:16]	1	1558
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[n:6]:[c:7]:[c:8]:[c:9]:[c:10]:1:2>>[N:3]-[N:4].[N:1]#[C:2]-[c:10]:1:[c:5](:[n:6]:[c:7]:[c:8]:[c:9]:1)-[O:11]	1	1559
+[N:1]=[C:2](-[C:3](-[C:4])=[O:7])-[C:5]=[O:6]>>[C:4]-[Mg+:8].[N:1]=[C:2](-[C:3](=[O:7])-[O:9]-[C:10])-[C:5]=[O:6]	1	1560
+[N:1]=[C:2](-[C:3](-[C:4])=[O:7])-[C:5]=[O:6]>>[C:4]-[Mg+:9].[N:1]=[C:2](-[C:3](=[O:7])-[O:8])-[C:5]=[O:6]	1	1561
+[N:1]=[C:2](-[C:3](=[O:4])-[N:5](-[C:6])-[O:7])-[C:8]=[O:9]>>[N:1]=[C:2](-[C:3](=[O:4])-[O:10]-[C:11])-[C:8]=[O:9].[N:5](-[C:6])-[O:7]	1	1562
+[N:1]=[C:2](-[C:3](=[O:6])-[N:8](-[O:7])-[C:9])-[C:4]=[O:5]>>[O:7]-[N:8]-[C:9].[N:1]=[C:2](-[C:3](=[O:6])-[O:10]-[C:11])-[C:4]=[O:5]	1	1563
+[N:1]=[C:2](-[C:3])-[N:4]-[O:5]>>[N:1]-[C:2](-[C:3])=[O:6].[N:4]-[O:5]	1	1564
+[N:1]=[C:2](-[S:3]-[C:4])-[N:5](-[C:6])-[C:7]>>[N:1]=[C:2]=[S:3].[C:4]-[I:8].[N:5](-[C:6])-[C:7]	1	1565
+[N:1]=[C:2](-[S:3]-[C:4])-[N:5](-[C:6])-[C:7]>>[N:1]=[C:2]=[S:3].[N:5](-[C:6])(-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14].[C:4]-[I:15]	1	1566
+[N:1]=[C:2](-[c:3](:[c:4]:[n:5]):[n:6])-[N:7]-[O:8]>>[N:7]-[O:8].[N:1]-[C:2](-[c:3](:[c:4]:[n:5]):[n:6])=[O:9]	1	1567
+[N:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8])-[C:9]=[O:10]>>[C:4]-[Mg+:11].[C:5](-[O:12]-[C:13])(-[O:14]-[C:15])-[N:16](-[C:17])-[C:19].[N:1]=[C:2](-[C:3](=[O:18])-[O:20]-[C:21])-[C:9]=[O:10].[N:6]-[N:7]-[c:8]	1	1568
+[N:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8])-[C:9]=[O:10]>>[C:4]-[Mg+:11].[C:5](-[O:12]-[C:13])(-[O:14]-[C:15])-[N:16](-[C:17])-[C:20].[N:1]=[C:2](-[C:3](=[O:18])-[O:19])-[C:9]=[O:10].[N:6]-[N:7]-[c:8]	1	1569
+[N:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8])-[C:9]=[O:10]>>[C:4]-[Mg+:19].[C:5](-[O:11]-[C:12])(-[O:13]-[C:14])-[N:15](-[C:16])-[C:17].[N:1]=[C:2](-[C:3](=[O:18])-[N:20](-[O:21]-[C:22])-[C:23])-[C:9]=[O:10].[N:6]-[N:7]-[c:8]	1	1570
+[N:1]=[C:2]-1-[N:3]-[C:4]-[C:5]-[O:6]-1>>[N:3]-1(-[C:4]-[C:5]-[O:6]-[C:8]-1(-[C:9])-[C:10])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[N:1]#[C:2]-[Br:7]	1	1571
+[N:1]=[C:2]-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[N:9]>>[N:1]=[C:2]-[C:3](=[O:4])-[O:10]-[C:11]-[C:12].[N:5]-[C:6]-[C:7](=[O:8])-[N:9]	1	1572
+[O:1](-[C:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[Si:9](-[C:8])(-[C:10])-[C:11]>>[O:1]=[C:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[O:12]-[C:13]-[C:14].[C:8]-[Si:9](-[C:10])(-[C:11])-[Cl:15]	1	1573
+[O:1]-[B:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[O:1]-1-[B:2](-[O:3]-[C:10](-[C:8]-1(-[C:7])-[C:9])(-[C:11])-[C:12])-[B:13]-2-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18](-[O:19]-2)(-[C:20])-[C:21].[c:4](:[c:5])(:[c:6])-[Br:22]	1	1574
+[O:1]-[B:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[O:1]-[B:2](-[O:3]-[C:7])-[O:8]-[C:9].[c:4](:[c:5])(:[c:6])-[Br:10]	1	1575
+[O:1]-[B:2](-[c:3](:[c:4]):[c:5])-[O:6]>>[O:1]-[B:2](-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15].[c:3](:[c:4]):[c:5]	1	1576
+[O:1]-[C:2](-[C:3](=[O:4])-[O:5]-[C:6])-[C:7](-[O:8])-[c:9]>>[O:5]-[C:6].[C:7](=[O:8])-[c:9].[O:1]-[C:2]-[C:3](=[O:4])-[N:22]-1-[C:11](=[O:10])-[O:12]-[C:13]-[C:14]-1-[C:15]-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	1	1577
+[O:1]-[C:2](-[C:3])-[C:4]>>[O:1]-1-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[C:7]-1	2	1578,1579
+[O:1]-[C:2](-[C:3]-[N:4](-[C:5])-[C:6])-[C:7]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2](-[C:3]-[Br:8])-[C:7]	1	1580
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:7])-[C:8](=[O:9])-[c:10]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:7].[C:8](=[O:9])(-[c:10])-[O:11]	1	1581
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])(-[C:6])-[O:7]-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5])(-[C:6])-[Br:9].[O:7](-[c:8])-[C:10]	1	1582
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5]-[c:6])-[C:7]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:7])-[Br:8].[O:5](-[c:6])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1583
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])-[C:7]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:13].[C:5](-[C:6])(-[C:7])=[O:14]	1	1584
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])(-[O:15])=[O:16]	1	1585
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])-[O:15]	1	1586
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])=[O:15]	1	1587
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]>>[C:4](-[C:5])-[Br:7].[C:2]#[N:6].[O:1].[O:3]	1	1588
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:9]-[C:10].[O:1]-[C:2](=[O:3])-[C:4]-[N:5]	1	1589
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:9].[O:1]-[C:2](=[O:3])-[C:4]-[N:5]	1	1590
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[C:8])-[O:9]-[C:10]-[C:11]	1	1591
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[C:6](=[O:7])(-[c:8])-[O:9]-[C:10].[O:1]-[C:2](=[O:3])-[C:4]-[N:5]	1	1592
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8])-[O:9]-[C:10]	1	1593
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:7].[N+:5](-[c:6])(=[O:8])-[O-:9]	1	1594
+[O:1]-[C:2](=[O:3])-[C:4]-[O:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:7].[O:5](-[c:6])-[C:8]	1	1595
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])(-[O:15])=[O:16]	1	1596
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])-[O:15]	1	1597
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:17](-[O:18]-[C:19](-[C:20])(-[C:21])-[C:22])=[O:23].[O:1]-[C:2](=[O:3])-[O:7]-[c:8]:1:[c:9]:[c:10]:[c:11](-[N+:12](=[O:13])-[O-:14]):[c:15]:[c:16]:1	1	1598
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[O:1]-[C:2](=[O:3])-[Cl:7]	1	1599
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[O:1]-[C:2](=[O:3])-[Cl:7].[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	3	1600,1601,1602
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[O:1]-[C:2](=[O:3])-[Cl:7].[N:4](-[C:5])(-[C:6])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	1603
+[O:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]>>[N:4]#[C:5]-[C:6].[O:1]-[C:2](=[O:3])-[Cl:7]	1	1604
+[O:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N:4](-[C:5])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	2	1605,1606
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[c:7]>>[O:1]-[C:2](=[O:3])-[Cl:8].[N+:4](=[O:9])(-[O-:10])-[O:11].[c:5](:[c:6]):[c:7]	1	1607
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:7])-[O-:8].[O:1]-[C:2](=[O:3])-[Cl:6]	1	1608
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	5	1609,1610,1611,1612,1613
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:7]:[c:8](:[c:9]):[n:12]:1:[c:11]:[c:10]>>[N+:7](-[c:8](:[c:9]):[n:12]:[c:11]:[c:10])(=[O:15])-[O-:16].[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[C:6])=[O:13])-[Cl:14]	1	1614
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:1>>[O:1]-[C:2](=[O:3])-[C:4](=[O:11])-[O:14]-[C:15]-[C:16].[C:5]-[c:6](:[c:7]):[c:9](:[c:8])-[N+:10](=[O:12])-[O-:13]	1	1615
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[n:6](-[C:7]):[c:8](-[c:9]):[c:10]:1>>[N:5]-[N:6]-[C:7].[O:1]-[C:2](=[O:3])-[C:4](=[O:11])-[O:13]-[C:14]-[C:15].[C:8](-[c:9])(-[C:10])=[O:12]	1	1616
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[o:6]:[c:7](-[C:8]):[c:9]:1>>[C:7](-[C:8])(-[C:9])=[O:11].[O:1]-[C:2](=[O:3])-[C:4](=[O:10])-[O:12]-[C:13]-[C:14].[N:5]-[O:6]	1	1617
+[O:1]-[C:2]-1=[C:3](-[c:4])-[C:5](=[O:6])-[N:7]-[C:8]-1>>[O:1]=[C:2](-[C:8]-[N:7])-[O:10]-[C:9].[C:3](-[c:4])-[C:5](=[O:6])-[Cl:11]	1	1618
+[O:1]-[C:2]-[C:3](-[F:4])(-[F:5])-[c:6](:[n:7]:[c:8]:[c:9]):[c:10]>>[O:1]=[C:2](-[C:3](-[F:4])(-[F:5])-[Br:14])-[O:13]-[C:12]-[C:11].[c:6](:[n:7]:[c:8]:[c:9])(:[c:10])-[Br:15]	1	1619
+[O:1]-[C:2]-[C:3]-[C:4]-[C:5]>>[O:1]=[C:2](-[C:3]=[C:4]-[C:5])-[O:8]-[C:7]-[C:6]	1	1620
+[O:1]-[C:2]-[C:3]-[O:4]-[C:5]>>[O:1]-[C:2](-[C:3]-[Cl:7])=[O:6].[O:4]-[C:5]	1	1621
+[O:1]-[C:2]-[C:3]>>[O:1](-[C:2](-[C:3])=[O:5])-[C:4]	2	1622,1623
+[O:1]-[C:2]-[C:3]>>[O:1]-[C:2](-[C:3])-[C:4]-[O:5]	1	1624
+[O:1]-[C:2]-[C:3]>>[O:1]-[C:4]-[C:5].[C:2](-[C:3])#[N:6]	1	1625
+[O:1]-[C:2]-[C:3]>>[O:1]=[C:2](-[C:3])-[O:4]	1	1626
+[O:1]-[C:2]-[C:3]>>[O:1]=[C:2](-[C:3])-[O:4]-[C:5]-[C:6]	1	1627
+[O:1]-[C:2]-[O:3]-[C:4]-[c:5]>>[O:1]-[C:2]-[Cl:6].[O:3]=[C:4]-[c:5]	1	1628
+[O:1]-[C:2]-[O:3]-[c:4]>>[O:1]-[C:2]-[Cl:5].[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	1629
+[O:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[O:1]=[C:2](-[c:3](:[n:4]):[c:5])-[O:6]	1	1630
+[O:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[O:1]=[Se:6]=[O:7].[C:2]-[c:3](:[n:4]):[c:5]	1	1631
+[O:1]-[C:2]-[c:3]:1:[n:4]:[c:5](-[c:6]):[n:7]:[s:8]:1>>[O:1]=[C:2](-[C:3]#[N:4])-[O:11]-[C:10]-[C:9].[C:5]-1(-[c:6])=[N:7]-[S:8]-[C:12](=[O:13])-[O:14]-1	1	1632
+[O:1]-[C:2]-[c:3]:1:[n:4]:[c:5](-[c:6]):[n:7]:[s:8]:1>>[S:8](-[C:13](=[O:12])-[Cl:15])-[Cl:16].[O:1]=[C:2](-[C:3]#[N:4])-[O:11]-[C:10]-[C:9].[C:5](-[c:6])(-[N:7])=[O:14]	1	1633
+[O:1]-[C:2]-[c:3]:1:[n:4]:[o:5]:[c:6](-[c:7]):[c:8]:1>>[O:1]=[C:2](-[C:3](-[C:8]-[C:6](-[c:7])=[O:12])=[O:13])-[O:11]-[C:10]-[C:9].[N:4]-[O:5]	1	1634
+[O:1]-[C:2]-[c:3]:1:[n:4]:[o:5]:[c:6](-[c:7]):[c:8]:1>>[O:1]=[C:2](-[C:3](=[O:12])-[O:14]-[C:15]-[C:16])-[O:11]-[C:10]-[C:9].[C:6](-[c:7])(-[C:8])=[O:13].[N:4]-[O:5]	1	1635
+[O:1]-[C:2]-[c:3]>>[O:1](-[C:2](-[c:3])=[O:4])-[C:5]-[C:6]	1	1636
+[O:1]-[C:2]-[c:3]>>[O:1](-[C:2](-[c:3])=[O:5])-[C:4]	3	1637,1638,1639
+[O:1]-[C:2]-[c:3]>>[O:1].[C:2]-[c:3]	1	1640
+[O:1]-[C:2]-[c:3]>>[O:1]=[C:2](-[c:3])-[O:4]	1	1641
+[O:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[O:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6])-[O:7]-[C:8]-[C:9]	1	1642
+[O:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[n:7]):[c:8]>>[C:4](=[O:5])(-[c:6](:[n:7]):[c:8])-[O:9]-[C:10]-[C:11].[O:1]-[N:2]-[C:3]	1	1643
+[O:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[O:1]-[N:2].[C:3](-[C:4])(-[C:5])=[O:6]	1	1644
+[O:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[O:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8]	1	1645
+[O:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[O:1]-[N:2].[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9]	1	1646
+[O:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[O:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7]	1	1647
+[O:1]-[N:2]-[C:3]-[C:4]>>[O:1]-[N:2].[C:3](-[C:4])=[O:5]	1	1648
+[O:1]-[N:2]=[C:3](-[C:4])-[c:7](:[c:5]):[c:6]>>[C:3](-[C:4])(=[O:8])-[O:9].[c:5]:[c:7]:[c:6].[O:1]-[N:2]	1	1649
+[O:1]-[N:2]=[C:3](-[c:4])-[Cl:6]>>[C:3](-[c:4])=[O:5].[Cl:6]-[N:7]-1-[C:8](=[O:9])-[C:10]-[C:11]-[C:12]-1=[O:13].[O:1]-[N:2]	1	1650
+[O:1]-[N:2]=[C:3]-[C:4]>>[O:1]-[N:2].[C:3](-[C:4])(=[O:5])-[N:6](-[O:7]-[C:8])-[C:9]	1	1651
+[O:1]-[N:2]=[C:3]-[C:4]>>[O:1]-[N:2].[C:3](-[C:4])-[O:5]	2	1652,1653
+[O:1]-[N:2]=[C:3]-[c:4]>>[O:1]-[N:2].[C:3](-[c:4])-[O:5]	1	1654
+[O:1]-[c:2](:[c:3]):[c:4]>>[O:1]-[C:5].[c:2](:[c:3])(:[c:4])-[F:6]	1	1655
+[O:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[N+:5](=[O:6])-[O-:7].[O:1]	1	1656
+[O:1]-[c:2](:[c:3]):[n:6]:[c:5]:[c:4]>>[O:1]=[C:8](-[O:9]-[C:10](-[C:11])=[O:12])-[C:13].[c:2](:[c:3]):[n+:6](:[c:5]:[c:4])-[O-:7]	1	1657
+[O:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[c:10]:1-[c:11]>>[O:1]=[C:2](-[C:10]-[c:11])-[Cl:14].[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[O:13]-[C:12]	1	1658
+[O:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[c:10]:1-[c:11]>>[O:1]=[C:2](-[C:10]-[c:11])-[O:14].[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[O:13]-[C:12]	1	1659
+[O:1]-[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6]:2:[c:7]:1:[n:8]:[c:9]:[c:10]:[c:11]:2>>[C:4](-[O:14]-[C:15]-[C:16])(-[O:17]-[C:18]-[C:19])-[O:20]-[C:21]-[C:22].[O:1]=[C:2](-[N:3])-[c:7]:1:[c:6](-[N+:5](=[O:12])-[O-:13]):[c:11]:[c:10]:[c:9]:[n:8]:1	1	1660
+[O:1]=[C:2](-[C:3](-[c:4](:[c:5]):[c:6])-[c:7])-[N:8]>>[c:4](:[c:5]):[c:6].[O:1]=[C:2](-[C:3](-[c:7])=[O:9])-[N:8]	1	1661
+[O:1]=[C:2](-[C:3])-[C:4]>>[O:1](-[C:2](-[C:3])-[C:4])-[Si:5](-[C:6](-[C:7])(-[C:8])-[C:9])(-[C:10])-[C:11]	1	1662
+[O:1]=[C:2](-[C:3])-[Cl:4]>>[Cl:4]-[S:5](-[Cl:9])=[O:10].[O:1]=[C:2](-[C:3])-[O:6]-[C:7]-[C:8]	1	1663
+[O:1]=[C:2](-[C:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[O:1]=[C:2](-[C:3])-[O:8]-[C:9]	1	1664
+[O:1]=[C:2](-[C:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[O:1]=[C:2](-[C:3])-[O:8]-[C:9]-[C:10]	1	1665
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[O:1]=[C:2](-[C:3])-[Cl:7]	1	1666
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2](-[C:3])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]	1	1667
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2](-[C:3])-[O:7]-[C:8]-[C:9]	1	1668
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[O:1]=[C:2](-[C:3])-[Cl:7].[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	1669
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[O:1]=[C:2](-[C:3])-[O:7]-[C:8].[N:4](-[C:5])-[C:6]	1	1670
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[O:1]=[C:2](-[C:3])-[O:7].[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	1671
+[O:1]=[C:2](-[C:3])-[N:4]-[C:5]>>[N:4]-1(-[C:5])-[C:7](=[O:8])-[c:9]:2:[c:10](-[C:11]-1=[O:12]):[c:13]:[c:14]:[c:15]:[c:16]:2.[O:1]=[C:2](-[C:3])-[O:6]	1	1672
+[O:1]=[C:2](-[C:3])-[N:4]-[C:5]>>[O:1]=[C:2](-[C:3])-[Cl:6].[N:4](-[C:5])=[N+:7]=[N-:8]	1	1673
+[O:1]=[C:2](-[C:3])-[N:4]-[C:5]>>[O:1]=[C:2](-[C:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[C:5]	1	1674
+[O:1]=[C:2](-[C:3])-[N:4]-[O:5]>>[N:4]-[O:5].[O:1]=[C:2](-[C:3])-[O:6]-[C:7]-[C:8]	1	1675
+[O:1]=[C:2](-[C:3])-[N:4]-[O:5]>>[O:1]=[C:2](-[C:3])-[O:6].[N:4]-[O:5]	1	1676
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5](:[c:6]):[c:7]>>[O:1]=[C:2](-[C:3])-[O:8].[c:5](:[c:6]):[c:7].[N+:4](-[O:9])(-[O-:10])=[O:11]	1	1677
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5](:[n:6]):[n:7]>>[O:1]=[C:2](-[C:3])-[O:8]-[C:9]-[C:10].[N:4]-[c:5](:[n:6]):[n:7]	1	1678
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[O:1]=[C:2](-[C:3])-[Cl:8].[N:4](-[c:5](:[n:6]):[s:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15]	1	1679
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:7])-[O-:8].[O:1]=[C:2](-[C:3])-[Cl:6]	1	1680
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:7])-[O-:8].[O:1]=[C:2](-[C:3])-[O:6]	2	1681,1682
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5]>>[N:4]-[c:5].[O:1]=[C:2](-[C:3])-[O:6]	1	1683
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5]>>[O:1]=[C:2](-[C:3])-[Cl:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	1	1684
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5]>>[O:1]=[C:2](-[C:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[c:5]	1	1685
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5]>>[O:1]=[C:2](-[C:3])-[O:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	1	1686
+[O:1]=[C:2](-[C:3])-[O:5]-[C:4]>>[C:4]-[O:5].[O:1]=[C:2](-[C:3])-[O:6]-[C:7]-[C:8]	1	1687
+[O:1]=[C:2](-[C:3]-[Br:4])-[C:5]>>[Br:4]-[Br:13].[C:2](-[C:5])#[N:6].[O:1](-[C:7]-[C:8])-[C:9]-[C:10].[C:3]-[Mg:11]-[I:12]	1	1688
+[O:1]=[C:2](-[C:3]-[C:4](-[O:5])(-[C:6])-[C:7])-[O:8]>>[O:1]=[C:2](-[C:3])-[O:8].[C:4](-[O:5])(-[C:6])-[C:7]	1	1689
+[O:1]=[C:2](-[C:3]-[C:4]-[N:5](-[C:6])-[C:7])-[N:8](-[C:9])-[C:10]>>[O:1]=[C:2](-[C:3]=[C:4])-[Cl:11].[N:5](-[C:6])-[C:7].[N:8](-[C:9])-[C:10]	1	1690
+[O:1]=[C:2](-[C:3]-[C:4]-[c:5]:1:[c:6]:[o:7]:[n:8]:[c:9]:1)-[O:10]>>[O:1]=[C:2](-[C:3]-[C:11](-[O:12]-[C:13]-[C:14])=[O:15])-[O:10].[C:4](-[c:5]:1:[c:6]:[o:7]:[n:8]:[c:9]:1)-[O:16]	1	1691
+[O:1]=[C:2](-[C:3]-[N:4](-[C:5])-[C:6])-[N:7]-[C:8]>>[O:1]=[C:2](-[C:3]-[Cl:9])-[Cl:10].[N:4](-[C:5])-[C:6].[N:7]-[C:8]	1	1692
+[O:1]=[C:2](-[C:3]-[N:4]-[c:5])-[N:6]-[c:7]>>[O:1]=[C:2](-[C:3]-[Br:8])-[Br:9].[N:6]-[c:7].[N:4]-[c:5]	1	1693
+[O:1]=[C:2](-[C:3]-[O:4]-[c:5])-[N:6]-[c:7]>>[O:1]=[C:2](-[C:3]-[Cl:8])-[Cl:9].[N:6]-[c:7].[O:4]-[c:5]	1	1694
+[O:1]=[C:2](-[C:3]=[C:4])-[Cl:5]>>[Cl:5]-[C:8]-[Cl:9].[O:1]=[C:2](-[C:3]=[C:4])-[O:6]-[C:7]	1	1695
+[O:1]=[C:2](-[C:3]=[C:4])-[N:5]-[O:6]>>[N:5]-[O:6].[O:1]=[C:2](-[C:3]=[C:4])-[O:7]	1	1696
+[O:1]=[C:2](-[C:3]=[C:4])-[N:5]-[O:6]>>[N:5]-[O:6].[O:1]=[C:2](-[C:3]=[C:4])-[O:7]-[C:8]	1	1697
+[O:1]=[C:2](-[C:3]=[C:4])-[N:5]-[O:6]>>[N:5]-[O:6].[O:1]=[C:2](-[C:3]=[C:4])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]	1	1698
+[O:1]=[C:2](-[C:3]=[C:4])-[N:5]-[O:6]>>[N:5]-[O:6].[O:1]=[C:2](-[C:3]=[C:4])-[O:7]-[C:8]-[C:9]	1	1699
+[O:1]=[C:2](-[C:3]=[C:4])-[N:5]-[O:6]>>[O:1]=[C:2](-[C:3]=[C:4])-[O:7]-[C:8].[N:5]-[O:6]	1	1700
+[O:1]=[C:2](-[C:3]=[C:4])-[N:5]-[O:6]>>[O:1]=[C:2](-[C:3]=[C:4])-[O:7].[N:5]-[O:6]	1	1701
+[O:1]=[C:2](-[C:3]=[C:4])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:8])-[O-:9].[O:1]=[C:2](-[C:3]=[C:4])-[Cl:7]	1	1702
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+[O:1]=[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:2](=[C:12])-[Sn:13](-[C:14]-[C:15]-[C:16]-[C:17])(-[C:18]-[C:19]-[C:20]-[C:21])-[C:22]-[C:23]-[C:24]-[C:25].[O:1]=[Os:8](=[O:9])(=[O:10])=[O:11].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:26]	1	1793
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+[O:1]=[C:2]-[c:3]:[c:5]:[n:4]>>[O:1]=[C:2](-[c:3]:[c:5]:[n:4])-[O:6]-[C:7]-[C:8]	1	1795
+[O:1]=[C:2]-[c:3]>>[O:1]-[C:2](-[c:3])=[O:4]	1	1796
+[O:1]=[C:2]-[c:3]>>[O:1]=[C:2](-[c:3])-[O:4]	1	1797
+[O:1]=[C:2]=[N:3]-[c:4]>>[O:1]=[C:2](-[Cl:5])-[Cl:6].[N+:3](-[c:4])(=[O:7])-[O-:8]	1	1798
+[O:1]=[S:2](-[C:3]-[c:4](:[n:5]):[c:6])-[c:7]:1:[n:8]:[c:9](:[c:10](:[c:11]):[n:13]:1):[c:12]>>[C:3](-[c:4](:[n:5]):[c:6])-[Cl:24].[O:1]-[O:14]-[C:15](=[O:16])-[c:17]:1:[c:18]:[c:19]:[c:20]:[c:21](-[Cl:22]):[c:23]:1.[S:2]=[C:7]-1-[N:8]-[c:9](:[c:10](:[c:11])-[N:13]-1):[c:12]	1	1799
+[O:1]=[S:2](=[O:3])(-[N:4]-[c:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[O:1]=[S:2](=[O:3])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:10]-[S:11](=[O:12])(=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[N+:4](-[c:5])(=[O:18])-[O-:19]	1	1800
+[O:1]=[S:2](=[O:3])(-[N:4]-[c:5])-[c:6]>>[O:1]=[S:2](=[O:3])(-[c:6])-[Cl:7].[N+:4](-[c:5])(=[O:8])-[O-:9]	1	1801
+[O:1]=[S:2](=[O:3])(-[N:4]-[c:5]:[c:7]:[n:6])-[c:8]>>[N+:4](-[c:5]:[c:7]:[n:6])(=[O:10])-[O-:11].[O:1]=[S:2](=[O:3])(-[c:8])-[Cl:9]	1	1802
+[O:1]=[S:2](=[O:3])(-[O:4]-[c:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[O:4](-[c:5])-[C:18].[O:1]=[S:2](=[O:3])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:10]-[S:11](=[O:12])(=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17]	1	1803
+[O:1]=[S:2](=[O:3])(-[c:4](:[c:5]):[c:6])-[N:7](-[C:8])-[C:9]>>[N:7](-[C:8])-[C:9].[O:1]=[S:2](=[O:3])(-[Cl:10])-[O:11].[c:4](:[c:5]):[c:6]	1	1804
+[O:1]=[S:2](=[O:3])(-[c:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[O:1]=[S:2](=[O:3])(-[c:4])-[Cl:8]	1	1805
+[O:1]=[S:2](=[O:3])(-[c:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[O:1]=[S:2](=[O:3])(-[c:4])-[Cl:8]	1	1806
+[S:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6]-[C:7].[S:1]-[N:2]	2	1807,1808
+[c:1](-[C:2]#[N:3]):[c:4]:[n:5]>>[N:3]-[O:6].[c:1](-[C:2]=[O:7]):[c:4]:[n:5]	1	1809
+[c:1](-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]):[c:7]:[n:8]>>[N:4](-[C:5])-[C:6].[c:1](-[C:2](=[O:3])-[O:9]-[C:10]):[c:7]:[n:8]	2	1810,1811
+[c:1](-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]):[c:7]:[n:8]>>[N:4](-[C:5])-[C:6].[c:1](-[C:2](=[O:3])-[O:9]-[C:10]-[C:11]):[c:7]:[n:8]	1	1812
+[c:1](-[C:2](=[O:3])-[N:4]-[C:5]):[c:6]:[n:7]>>[c:1](-[C:2](=[O:3])-[O:8]-[C:9]-[C:10]):[c:6]:[n:7].[N:4]-[C:5]	1	1813
+[c:1](-[C:2](=[O:3])-[N:4]-[c:5]):[c:6]:[n:7]>>[c:1](-[C:2](=[O:3])-[O:8]-[C:9]-[C:10]):[c:6]:[n:7].[N:4]-[c:5]	1	1814
+[c:1](-[C:2]-[C:3]#[N:4]):[c:5]:[n:6]>>[c:1](-[C:2]):[c:5]:[n:6].[C:3]#[N:4]	1	1815
+[c:1](-[C:2]-[Cl:3]):[c:4]:[n:5]>>[Cl:3]-[S:6](=[O:7])-[Cl:8].[c:1](-[C:2](=[O:9])-[O:10]-[C:11]-[C:12]):[c:4]:[n:5]	1	1816
+[c:1](-[C:2]-[Cl:5]):[c:3]:[n:4]>>[Cl:5]-[S:6](=[O:7])-[Cl:8].[c:1](-[C:2]=[O:9]):[c:3]:[n:4]	1	1817
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+[c:1](-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]):[c:7]:[n:8]>>[c:1](-[C:2]#[N:3]):[c:7]:[n:8].[C:4](=[O:5])(-[c:6])-[O:9]	1	1819
+[c:1](-[C:2]-[O:3]):[c:4]:[n:5]>>[c:1](-[C:2](-[O:3]-[C:7])=[O:6]):[c:4]:[n:5]	1	1820
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+[c:1](-[C:2]-[O:5]):[c:3]:[n:4]>>[c:1](-[C:2](-[O:5]-[C:7])=[O:6]):[c:3]:[n:4]	1	1822
+[c:1](-[C:2]=[O:3]):[c:4]:[n:5]>>[c:1](-[C:2](=[O:3])-[O:6]-[C:7]):[c:4]:[n:5]	1	1823
+[c:1](-[N:2]-1-[C:3]-[C:4]-[N:5]-[C:6]-1=[O:7]):[c:8]:[n:9]>>[C:3](-[C:4]-[N:5]=[C:6]=[O:7])-[Cl:10].[c:1](-[N:2]):[c:8]:[n:9]	1	1824
+[c:1](-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:8]:[n:7]):[c:9]:[n:10]>>[c:1](-[N+:2](=[O:11])-[O-:12]):[c:9]:[n:10].[C:3](=[O:4])(-[c:5](:[n:6]):[c:8]:[n:7])-[O:13]	1	1825
+[c:1](-[N:2]-[C:3](=[O:4])-[c:5]):[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5])-[Cl:10].[c:1](-[N+:2](=[O:8])-[O-:9]):[c:6]:[n:7]	1	1826
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+[c:1](-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7]):[c:10]:[n:11]>>[c:1](-[N+:2](=[O:12])-[O-:13]):[c:10]:[n:11].[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7])-[Cl:14]	1	1828
+[c:1](-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]):[c:8]:[n:9]>>[N:5](-[C:6])(-[C:7])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[c:1](-[S:2](=[O:3])(=[O:4])-[Cl:10]):[c:8]:[n:9]	1	1829
+[c:1](:[c:2](-[C:3](-[N:4])=[O:5]):[s:6]):[n:7]>>[N:4].[c:1](:[c:2](-[C:3](=[O:5])-[O:8]-[C:9]-[C:10]):[s:6]):[n:7]	1	1830
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+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[s:7]):[n:8]>>[c:1](:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[s:7]):[n:8].[N:5]-[C:6]	1	1833
+[c:1](:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]):[n:8]>>[N:4](-[C:5])-[C:6].[c:1](:[c:2](-[C:3](=[O:9])-[O:10]-[C:11]-[C:12]):[n:7]):[n:8]	1	1834
+[c:1](:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]):[n:8]>>[N:4](-[C:5])-[C:6].[c:1](:[c:2](-[C:3]-[O:9]):[n:7]):[n:8]	1	1835
+[c:1](:[c:2](-[C:3]=[O:6]):[n:4]):[n:5]>>[c:1](:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[n:4]):[n:5]	1	1836
+[c:1](:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[c:7]:[n:8]):[n:9]>>[C:4](=[O:5])(-[C:6])-[Cl:12].[c:1](:[c:2](-[N+:3](=[O:10])-[O-:11]):[c:7]:[n:8]):[n:9]	1	1837
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4](-[B:5](-[O:6])-[O:10]-[C:11](-[C:12])-[C:13])-[C:7](-[C:8])-[C:9].[c:1](:[c:2])(:[c:3])-[Br:14]	1	1838
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-[B:5](-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15].[c:1](:[c:2])(:[c:3])-[N+:16](=[O:17])-[O-:18]	1	1839
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+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-[B:5](-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15].[c:1](:[c:2]):[c:3]	1	1841
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+[c:1](:[n:2]:[c:3]:[c:4])(:[c:5])-[Cl:6]>>[Cl:6]-[P:7](=[O:8])(-[Cl:9])-[Cl:10].[c:1](:[n:2]:[c:3]:[c:4]):[c:5]	1	1873
+[c:1](:[n:2]:[c:3]:[c:4])(:[c:5])-[Cl:6]>>[Cl:6]-[P:8](=[O:9])(-[Cl:10])-[Cl:11].[c:1](:[n+:2](:[c:3]:[c:4])-[O-:7]):[c:5]	1	1874
+[c:1]-1:[c:2](:[c:3])-[B:4](-[O:5])-[O:6]-[C:7]-1>>[c:1](:[c:2](:[c:3])-[Br:15])-[C:7]=[O:6].[B:4]-1(-[O:5]-[C:12](-[C:9](-[C:8])(-[C:10])-[O:11]-1)(-[C:13])-[C:14])-[B:16]-2-[O:17]-[C:18](-[C:19])(-[C:20])-[C:21](-[O:22]-2)(-[C:23])-[C:24]	1	1875
+[c:1]-1:[c:2]-[O:3]-[C:4]-[C:5](=[O:6])-[N:7]-1-[C:8]>>[C:4](-[C:5](=[O:6])-[Cl:9])-[Cl:10].[C:8]-[I:11].[c:1](:[c:2]-[O:3])-[N:7]	1	1876
+[c:1]-[C:2]#[N:3]>>[N:3].[c:1]-[C:2](=[O:4])-[O:5]	1	1877
+[c:1]-[C:2](-[C:3])-[C:4](-[O:5])(-[c:6])-[C:7](-[F:8])(-[F:9])-[F:10]>>[C:3]-[I:11].[C:7](-[F:8])(-[F:9])(-[F:10])-[Si:12](-[C:13])(-[C:14])-[C:15].[c:1]-[C:2]-[C:4](=[O:5])-[c:6]	1	1878
+[c:1]-[C:2](-[C:3])-[C:4]>>[c:1]-[C:2](-[C:3])(-[C:4])-[O:5]	3	1879,1880,1881
+[c:1]-[C:2](-[C:3])-[N:4]-[C:5](=[O:6])-[C:7]>>[C:5](-[O:6])(-[C:7])=[O:9].[c:1]-[C:2](-[C:3])=[O:8].[N:4]	1	1882
+[c:1]-[C:2](-[C:3])-[c:4]>>[c:1]-[C:2](-[C:3])(-[c:4])-[O:5]	1	1883
+[c:1]-[C:2](-[C:3])-[c:6](:[c:4]):[c:5]>>[c:1]-[C:2](-[C:3])=[O:7].[c:4]:[c:6]:[c:5]	1	1884
+[c:1]-[C:2](-[C:3])-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1>>[c:1]-[C:2](-[C:3])=[O:16].[n:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:1)-[C:10](=[O:11])-[n:12]:2:[c:9]:[n:15]:[c:14]:[c:13]:2	1	1885
+[c:1]-[C:2](-[C:3])=[N:4]-[O:5]>>[c:1]-[C:2](-[C:3])-[O:6].[N:4]-[O:5]	1	1886
+[c:1]-[C:2](-[C:3])=[O:4]>>[C:3]-[Mg:5]-[Br:6].[c:1]-[C:2]=[O:4]	1	1887
+[c:1]-[C:2](-[C:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[O:5].[C:3]-[Mg:6]-[Br:7]	1	1888
+[c:1]-[C:2](-[C:3]-[C:4])-[C:5](=[O:6])-[O:7]-[C:8]>>[c:1]-[C:2]-[C:5](=[O:6])-[O:9].[C:3](-[C:4])-[I:10].[O:7]-[C:8]	1	1889
+[c:1]-[C:2](-[C:3]-[N:4]-[C:5])-[O:6]>>[N:4]-[C:5].[c:1]-[C:2](-[C:3]-[Br:7])=[O:6]	1	1890
+[c:1]-[C:2](-[C:7]-[C:5](-[N:4]-[c:3])=[O:6])=[O:8]>>[c:3]-[N+:4](=[O:13])-[O-:14].[c:1]-[C:2]-1=[C:7]-[C:5](=[O:6])-[O:9]-[C:10](-[O:8]-1)(-[C:11])-[C:12]	1	1891
+[c:1]-[C:2](-[Cl:3])-[c:4]>>[Cl:3]-[S:5](=[O:6])-[Cl:7].[c:1]-[C:2](-[c:4])=[O:8]	1	1892
+[c:1]-[C:2](-[Cl:3])=[N:4]-[O:5]>>[Cl:3]-[N:7]-1-[C:8](=[O:9])-[C:10]-[C:11]-[C:12]-1=[O:13].[N:4]-[O:5].[c:1]-[C:2]=[O:6]	1	1893
+[c:1]-[C:2](-[N:3])-[c:4]>>[c:1]-[C:2](-[c:4])=[O:6].[N:3]-[O:5]	1	1894
+[c:1]-[C:2](-[N:3])=[O:4]>>[N:3].[c:1]-[C:2](=[O:4])-[O:5]-[C:6]	2	1895,1896
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[O:5]-[C:6].[N:3]	1	1897
+[c:1]-[C:2](-[O:3])-[C:4](-[c:5])(-[S:6]-[C:7])-[S:9]-[C:8]>>[S:6]-[C:7].[C:8]-[S:9].[C:4](-[c:5])=[O:10].[c:1]-[C:2]=[O:3]	1	1898
+[c:1]-[C:2](-[O:3])-[C:4]-[N:5](-[C:6]-[C:7])-[C:8]>>[C:6](-[C:7])-[Br:10].[c:1]-[C:2](=[O:3])-[C:4]-[Br:9].[N:5]-[C:8]	1	1899
+[c:1]-[C:2](-[O:3]-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[n:9]:1)-[C:10](-[F:11])(-[F:12])-[F:13]>>[c:1]-[C:2]=[O:3].[C:10](-[F:11])(-[F:12])(-[F:13])-[Si:14](-[C:15])(-[C:16])-[C:17].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[n:9]:1)-[Cl:18]	1	1900
+[c:1]-[C:2](-[c:3](:[c:4]):[c:5])=[O:6]>>[c:3](:[c:4]):[c:5].[c:1]-[C:2](=[O:6])-[O:7]	1	1901
+[c:1]-[C:2](=[C:3](-[C:4]#[N:5])-[C:6](=[O:7])-[N:8])-[Cl:9]>>[N:5]-[C:16]-1-[C:17]-[C:18]-[C:19]-[C:20]-[C:21]-1.[Cl:9]-[P:10](=[O:11])(-[Cl:12])-[Cl:13].[c:1]-[C:2](=[C:3](-[C:4](=[O:14])-[O:22]-[C:23]-[C:24])-[C:6](=[O:7])-[N:8])-[O:15]	1	1902
+[c:1]-[C:2](=[N:3]-[O:4])-[Cl:5]>>[Cl:5]-[N:7]-1-[C:8](=[O:9])-[C:10]-[C:11]-[C:12]-1=[O:13].[N:3]-[O:4].[c:1]-[C:2]=[O:6]	1	1903
+[c:1]-[C:2](=[N:3]-[O:4])-[Cl:5]>>[c:1]-[C:2].[Cl:5]-[N:6]-1-[C:7](=[O:8])-[C:9]-[C:10]-[C:11]-1=[O:12].[N:3]-[O:4]	1	1904
+[c:1]-[C:2](=[N:3]-[O:4])-[Cl:5]>>[c:1]-[C:2]=[O:6].[Cl:5]-[N:7]-1-[C:8](=[O:9])-[C:10]-[C:11]-[C:12]-1=[O:13].[N:3]-[O:4]	1	1905
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[C:5](-[C:6](=[O:7])-[Cl:8])=[O:9].[c:1]-[C:2](=[O:3])-[O:10]-[C:11]	2	1906,1907
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[C:5](-[C:6](=[O:7])-[Cl:8])=[O:9].[c:1]-[C:2](=[O:3])-[O:10]-[C:11]-[C:12]	1	1908
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[c:1]-[C:2](=[O:3])-[O:8]-[C:9]	4	1909,1910,1911,1912
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[c:1]-[C:2]=[O:3]	1	1913
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[S:6](-[Cl:5])=[O:7].[c:1]-[C:2]=[O:3]	1	1914
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:9].[Cl:4]-[S:5](=[O:6])-[Cl:7]	1	1915
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:9].[Cl:4]-[S:6](-[Cl:5])=[O:7]	3	1916,1917,1918
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[c:1]-[C:2]=[C:5].[Cl:4]-[S:10](=[O:11])-[Cl:12].[O:3]=[Os:6](=[O:7])(=[O:8])=[O:9]	1	1919
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:12](=[O:10])-[O:13]-[C:14](-[C:7])(-[C:8])-[C:9].[c:1]-[C:2](=[O:3])-[O:11]	1	1920
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[c:1]-[C:2](=[O:3])-[O:7]	1	1921
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[c:1]-[C:2](=[O:3])-[Cl:7]	1	1922
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2](=[O:3])-[O:7]	2	1923,1924
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2](=[O:3])-[O:7]-[C:8]	4	1925,1926,1927,1928
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9]	2	1929,1930
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4]-[C:6].[C:5]-[I:8].[c:1]-[C:2](=[O:3])-[O:7]	1	1931
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[c:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9].[N:4](-[C:5])-[C:6]	1	1932
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[c:1]-[C:2](=[O:3])-[O:7]-[C:8].[N:4](-[C:5])-[C:6]	1	1933
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[c:1]-[C:2](=[O:3])-[O:7].[N:4](-[C:5])(-[C:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	1934
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[N:4](-[C:5])-[c:6].[c:1]-[C:2](=[O:3])-[O:7]	2	1935,1936
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[N:4](-[C:5])-[c:6].[c:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9]	1	1937
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6])-[c:7]>>[N:4](-[C:5](-[C:6])=[O:9])-[c:7].[c:1]-[C:2](=[O:3])-[Cl:8]	1	1938
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[c:1]-[C:2](=[O:3])-[O:9]-[C:10].[N:4]-[C:5]-[C:6](=[O:7])-[O:8]	1	1939
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]-[c:7]>>[c:1]-[C:2](=[O:3])-[O:8].[N+:4](-[C:5]=[C:6]-[c:7])(=[O:9])-[O-:10]	1	1940
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]>>[N:4]#[C:5]-[C:6].[c:1]-[C:2](=[O:3])-[O:7]	1	1941
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-1(-[C:5])-[C:7](=[O:8])-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-[C:15]-1=[O:16].[c:1]-[C:2](=[O:3])-[Cl:6]	1	1942
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[c:1]-[C:2](=[O:3])-[O:6]	2	1943,1944
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[c:1]-[C:2](=[O:3])-[O:6]-[C:7]	17	1945,1946,1947,1948,1949,1950,1951,1952,1953,1954,1955,1956,1957,1958,1959,1960,1961
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[c:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8]	1	1962
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[C:5]	2	1963,1964
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[C:5]	3	1965,1966,1967
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6].[N+:4](-[C:5])(=[O:7])-[O-:8]	1	1968
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6].[N:4](-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1969
+[c:1]-[C:2](=[O:3])-[N:4]-[N:5]=[C:6](-[C:7](=[O:8])-[N:9])-[c:10]>>[N:4]-[N:5].[c:1]-[C:2](=[O:3])-[O:11]-[C:12].[C:6](-[C:7](=[O:8])-[N:9])(-[c:10])=[O:13]	1	1970
+[c:1]-[C:2](=[O:3])-[N:4]-[N:5]>>[N:4]-[N:5].[c:1]-[C:2](=[O:3])-[O:6]	1	1971
+[c:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5].[c:1]-[C:2](=[O:3])-[O:6]-[C:7]	1	1972
+[c:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[S:5]	1	1973
+[c:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[S:5]	1	1974
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:9].[N:4]-[c:5](:[n:6]):[c:7]	1	1975
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[c:1]-[C:2](=[O:3])-[O:8]	1	1976
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[c:1]-[C:2](=[O:3])-[O:8]-[C:9]	1	1977
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:6]:[n:7]>>[N+:4](-[c:5]:[c:6]:[n:7])(=[O:9])-[O-:10].[c:1]-[C:2](=[O:3])-[Cl:8]	1	1978
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:6]:[n:7]>>[N:4]-[c:5]:[c:6]:[n:7].[c:1]-[C:2](=[O:3])-[O:8]	1	1979
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:7])-[O-:8].[c:1]-[C:2](=[O:3])-[O:6]	2	1980,1981
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4](-[c:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:1]-[C:2](=[O:3])-[O:6]	1	1982
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4]-[c:5].[c:1]-[C:2](=[O:3])-[O:6]	1	1983
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4]-[c:5].[c:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]	2	1984,1985
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[Cl:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	1	1986
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[c:5]	3	1987,1988,1989
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[O:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	1	1990
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[O:6].[N:4]-[c:5]	3	1991,1992,1993
+[c:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6].[O:4]-[C:5]	1	1994
+[c:1]-[C:2](=[O:3])-[O:4]-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11]>>[c:1]-[C:2](=[O:3])-[O:19]-[C:20].[O:4](-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11])-[C:13](-[N:14](-[C:15])-[C:16])=[N+:17](-[C:12])-[C:18]	1	1995
+[c:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:1]-[C:2]=[O:3].[c:4](:[c:5])(:[c:6])-[Mg:7]-[Br:8]	1	1996
+[c:1]-[C:2]-1-[C:3]-[C:4]-[C:5]-[N:6]-2-[C:7]-[C:8]-[S:9](=[O:10])(=[O:11])-[N:12]=[C:13]-1-2>>[C:7](-[C:8]-[S:9](=[O:10])(=[O:11])-[Cl:14])-[Cl:15].[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:13]:1-[N:12]	1	1997
+[c:1]-[C:2]-1-[C:3]=[C:4]-[C:5]=[N+:6](-[C:7]-1=[O:8])-[O-:9]>>[O:8]=[C:11](-[O:12]-[C:13](-[C:14])=[O:15])-[C:16].[O:9]-[O:10].[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:7]:1	1	1998
+[c:1]-[C:2]-1-[N:3]-[C:4](=[O:5])-[N:6]-[C:7](-[c:8](:[c:9]):[c:10])=[C:11]-1-[c:12]>>[C:7](-[C:11]-[c:12])(=[O:14])-[O:17].[N:3]-[C:4](=[O:5])-[N:6].[c:1]-[C:2]=[O:13].[c:8](:[c:9])(:[c:10])-[Mg:15]-[Br:16]	1	1999
+[c:1]-[C:2]-1-[N:3]-[C:4](=[O:5])-[N:6]-[C:7](-[c:8](:[c:9]):[c:10])=[C:11]-1-[c:12]>>[N:3]-[C:4](=[O:5])-[N:6].[C:7](-[C:11]-[c:12])(=[O:14])-[N:15](-[O:16]-[C:17])-[C:18].[c:1]-[C:2]=[O:13].[c:8](:[c:9])(:[c:10])-[Mg:19]-[Br:20]	1	2000
+[c:1]-[C:2]-1=[C:3](-[O:4])-[C:5]-[N:6]-[C:7]-1=[O:8]>>[C:3](=[O:4])(-[C:5]-[N:6])-[O:10]-[C:9].[c:1]-[C:2]-[C:7](=[O:8])-[O:11]	1	2001
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11].[N:3]-[O:4].[c:1]-[C:2]=[O:12]	1	2002
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11].[c:1]-[C:2]=[N:3]-[O:4]	1	2003
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[c:1]-[C:2].[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11].[N:3]-[O:4]	1	2004
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[c:1]-[C:2]=[N:3]-[O:4].[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11]	1	2005
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[c:1]-[C:2]=[O:12].[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11].[N:3]-[O:4]	1	2006
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[c:1]-[C:2](-[O:8])=[O:9]	1	2007
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[c:1]-[C:2]=[O:8]	1	2008
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:8])-[Br:9].[c:1]-[C:2](-[O:6])=[O:7]	1	2009
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[c:1]-[C:2](=[O:7])-[Cl:8]	1	2010
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[c:1]-[C:2](=[O:7])-[O:8]	1	2011
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[c:1]-[C:2]=[O:7]	6	2012,2013,2014,2015,2016,2017
+[c:1]-[C:2]-[Br:3]>>[Br:3].[c:1]-[C:2](=[O:4])-[O:5]-[C:6]-[C:7]	1	2018
+[c:1]-[C:2]-[C:3]#[N:4]>>[C:3]#[N:4].[c:1]-[C:2](-[O:5])=[O:6]	1	2019
+[c:1]-[C:2]-[C:3]#[N:4]>>[C:3]#[N:4].[c:1]-[C:2](=[O:5])-[O:6]-[C:7]	1	2020
+[c:1]-[C:2]-[C:3]#[N:4]>>[C:3]#[N:4].[c:1]-[C:2]-[O:5]	5	2021,2022,2023,2024,2025
+[c:1]-[C:2]-[C:3]#[N:4]>>[c:1]-[C:2](-[O:5])=[O:6].[C:3]#[N:4]	1	2026
+[c:1]-[C:2]-[C:3]#[N:4]>>[c:1]-[C:2]-[O:5].[C:3]#[N:4]	3	2027,2028,2029
+[c:1]-[C:2]-[C:3]#[N:4]>>[c:1]-[C:2].[C:3]#[N:4]	1	2030
+[c:1]-[C:2]-[C:3](-[O:4])=[O:5]>>[O:4]-[C:6]-[C:7].[c:1]-[C:2]-[Cl:9].[C:3]#[N:8].[O:5]	1	2031
+[c:1]-[C:2]-[C:3](=[O:4])-[O:5]>>[O:5]-[C:6].[C:3]#[N:7].[O:4].[c:1]-[C:2]-[Cl:8]	1	2032
+[c:1]-[C:2]-[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]>>[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9].[c:1]-[C:2]=[O:10]	2	2033,2034
+[c:1]-[C:2]-[C:3]-[C:4](-[C:5])=[O:6]>>[C:3]-[C:4](-[C:5])=[O:6].[c:1]-[C:2]=[O:7]	1	2035
+[c:1]-[C:2]-[C:3]-[C:4]-[O:5]>>[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:8]-[C:7]-[C:6]	1	2036
+[c:1]-[C:2]-[C:3]-[C:4]=[O:5]>>[C:3]-[C:4]=[O:5].[c:1]-[C:2]=[O:6]	1	2037
+[c:1]-[C:2]-[C:3]-[C:4]=[O:5]>>[c:1]-[C:2]=[O:6].[C:3]-[C:4]=[O:5]	1	2038
+[c:1]-[C:2]-[C:3]-[N+:4]>>[C:3]-[N+:4].[c:1]-[C:2]=[O:5]	3	2039,2040,2041
+[c:1]-[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2]=[C:3]-[O:7]-[C:8]	1	2042
+[c:1]-[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2]=[O:9].[C:3](-[O:7]-[C:8])-[P+:10](-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)(-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2)-[c:23]:3:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:3	1	2043
+[c:1]-[C:2]-[C:3]-[N:4]-[C:5](-[C:6])=[O:7]>>[c:1]-[C:2]=[C:3]-[N+:4](=[O:9])-[O-:10].[C:5](-[C:6])(=[O:7])-[O:8]	1	2044
+[c:1]-[C:2]-[C:3]-[N:4]>>[C:3]-[N+:4](=[O:5])-[O-:6].[c:1]-[C:2]=[O:7]	3	2045,2046,2047
+[c:1]-[C:2]-[C:3]-[N:4]>>[c:1]-[C:2]-[Br:5].[C:3]#[N:4]	2	2048,2049
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+[c:1]-[C:2]-[C:3]=[O:4]>>[c:1]-[C:2]=[O:6].[C:3](-[O:4]-[C:5])-[P+:7](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	2	2055,2056
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+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](-[Cl:7])=[O:8].[c:1]-[C:2](-[O:5])=[O:6]	1	2060
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](-[Cl:8])=[O:9].[c:1]-[C:2](=[O:5])-[O:6]-[C:7]	1	2061
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+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[c:1]-[C:2](-[O:7]-[C:9]-[C:10])=[O:8]	1	2064
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[c:1]-[C:2](=[O:7])-[O:8]-[C:9]-[C:10]	1	2065
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[c:1]-[C:2]=[O:7]	2	2066,2067
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:5](-[Cl:4])=[O:6].[c:1]-[C:2](=[O:7])-[O:8]-[C:9]	1	2068
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+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2]=[O:6].[Cl:3]-[C:5]-[Cl:4]	1	2070
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2]=[O:7].[Cl:3]-[S:5](-[Cl:4])=[O:6]	1	2071
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+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[N:7]-[C:8]>>[N:3]-[C:4].[c:1]-[C:2]=[O:9].[C:5](=[O:6])=[N:7]-[C:8]	1	2073
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[c:1]-[C:2]=[O:12].[N:3]-[C:4]	1	2074
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[c:7]:[c:8]:[n:9]>>[c:1]-[C:2]=[O:10].[N:3]-[C:4].[C:5](=[O:6])(-[c:7]:[c:8]:[n:9])-[O:11]	1	2075
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:4]=[O:7].[N:3]-[C:5].[c:1]-[C:2]=[O:6]	1	2076
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:1]-[C:2]-[Br:6]	1	2077
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:1]-[C:2]=[O:6]	3	2078,2079,2080
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2](-[O:6])=[O:7]	2	2081,2082
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2](-[O:6]-[C:7])-[O:8]-[C:9]	1	2083
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2](-[O:6]-[C:8]-[C:9])=[O:7]	1	2084
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2](=[O:6])-[O:7]	2	2085,2086
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2]-[O:6]	9	2087,2088,2089,2090,2091,2092,2093,2094,2095
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[c:1]-[C:2]-[O:6].[N:3](-[C:4])-[C:5]	1	2096
+[c:1]-[C:2]-[N:3](-[C:4])-[C:6](-[C:5])=[O:7]>>[N:3](-[C:4])-[C:6](-[C:5])=[O:7].[c:1]-[C:2]-[O:8]	1	2097
+[c:1]-[C:2]-[N:3](-[C:4])-[S:5](=[O:6])(=[O:7])-[C:8]>>[N:3]-[C:4].[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:10].[c:1]-[C:2]=[O:9]	1	2098
+[c:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:6]=[O:7]>>[c:1]-[C:2].[N:3](-[C:4]=[O:5])-[C:6]=[O:7]	1	2099
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[C:6]>>[C:4](=[O:5])(-[C:6])-[O:7].[c:1]-[C:2]#[N:3]	1	2100
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[Cl:7].[c:1]-[C:2]#[N:3]	1	2101
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[O:7].[N:3]-[O:8].[c:1]-[C:2]=[O:9]	1	2102
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[O:8].[c:1]-[C:2]=[N:3]-[O:7]	1	2103
+[c:1]-[C:2]-[N:3]-[C:4]>>[N:3](-[C:4])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[c:1]-[C:2]=[O:5]	1	2104
+[c:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[c:1]-[C:2](=[O:5])-[O:6]-[C:7]	1	2105
+[c:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[c:1]-[C:2]-[O:5]	1	2106
+[c:1]-[C:2]-[N:3]-[C:4]>>[c:1]-[C:2](=[O:5])-[O:6]-[C:7].[N:3]-[C:4]	1	2107
+[c:1]-[C:2]-[N:3]-[C:4]>>[c:1]-[C:2]-[O:5].[N:3]-[C:4]	2	2108,2109
+[c:1]-[C:2]-[N:3]-[C:4]>>[c:1]-[C:2].[N:3]-[C:4]	1	2110
+[c:1]-[C:2]-[N:3]-[C:4]>>[c:1]-[C:2]=[O:5].[N:3]-[C:4]	2	2111,2112
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+[c:1]-[C:2]-[N:3]=[N+:4]=[N-:5]>>[c:1]-[C:2].[N-:3]=[N+:4]=[N-:5]	1	2117
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+[c:1]-[C:2]-[N:3]>>[c:1]-[C:2].[N:3]	1	2121
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+[c:1]-[C:2]-[O:3]-[C:4]>>[c:1]-[C:2]=[O:3].[C:4]-[I:5]	1	2123
+[c:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:9].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:10]	1	2124
+[c:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[c:1]-[C:2]=[O:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:8]	1	2125
+[c:1]-[C:2]-[O:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[O:7].[c:1]-[C:2]=[O:3]	1	2126
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[c:1]-[C:2]-[Br:5]	1	2127
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6].[c:1]-[C:2]-[Br:5]	1	2128
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6].[c:1]-[C:2]-[Cl:5]	1	2129
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3]-[c:4].[c:1]-[C:2]	1	2130
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+[c:1]-[C:2]-[O:3]-[c:4]>>[c:1]-[C:2]-[O:5].[O:3]-[c:4]	1	2132
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+[c:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[c:1]-[C:2](-[O:7])=[O:8].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9]	1	2146
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+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:7].[c:1]-[C:2]=[O:6]	1	2151
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4]):[c:5].[c:1]-[C:2](=[O:6])-[Cl:7]	1	2152
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+[c:1]-[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1>>[c:1]-[C:2]=[O:9].[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1	1	2154
+[c:1]-[C:2]-[c:3]>>[c:1]-[C:2](-[c:3])=[O:4]	1	2155
+[c:1]-[C:2]-[n:3]:1:[c:4](-[C:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:3]-[c:8](:[c:7](-[N+:6](=[O:12])-[O-:13]):[c:10]):[c:9].[c:1]-[C:2]-[Br:11].[C:4](-[C:5])(=[O:14])-[O:15]	1	2156
+[c:1]-[C:2]-[n:3]:1:[c:4](-[C:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:3]-[c:8](:[c:7](-[N:6]):[c:10]):[c:9].[c:1]-[C:2]-[Br:11].[C:4](-[C:5])(=[O:12])-[O:13]	1	2157
+[c:1]-[C:2]=[C:3](-[C:4]#[N:5])-[S:6]>>[c:1]-[C:2](-[O:7])=[O:8].[C:3](-[C:4]#[N:5])-[S:6]	1	2158
+[c:1]-[C:2]=[C:3](-[C:4]#[N:5])-[S:6]>>[c:1]-[C:2]-[O:7].[C:3](-[C:4]#[N:5])-[S:6]	1	2159
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+[c:1]-[C:2]=[N:3]-[O:4]>>[N:3]-[O:4].[c:1]-[C:2]-[O:5]	1	2162
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+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](-[O:3])=[O:4]	3	2166,2167,2168
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](-[O:3]-[C:5])=[O:4]	1	2169
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+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](=[O:3])-[O:4]-[C:5]	5	2171,2172,2173,2174,2175
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]	2	2176,2177
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]-[O:3]-[Si:4](-[C:5](-[C:6])(-[C:7])-[C:8])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2	1	2178
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7](-[C:8])(-[C:9])-[C:10]	1	2179
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+[c:1]-[C:3](-[C:2])-[N:4]>>[c:1]-[C:3](-[C:2])-[O:7].[N:4](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	1	2182
+[c:1]-[C:3](-[C:2])-[N:4]>>[c:1]-[C:3](-[C:2])=[O:21].[N:4](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:7]:[c:20]:[c:19]:[c:18]:[c:17]:2	1	2183
+[c:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]>>[C:3]-[I:7].[C:4](=[O:5])(-[c:6])-[O:8].[c:1]-[N:2]	1	2184
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+[c:1]-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]>>[C:3](-[C:4])-[Cl:10].[C:5]-[C:6]-[Cl:9].[c:1]-[N+:2](=[O:7])-[O-:8]	1	2186
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+[c:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[C:7]-1=[O:8]>>[c:1]-[N+:2](=[O:9])-[O-:10].[C:3]-1(=[O:4])-[c:5]:[c:6]-[C:7](=[O:8])-[O:11]-1	1	2190
+[c:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[N:7]=[C:8]-1-[C:9]>>[C:8](-[C:9])(=[O:11])-[Cl:12].[C:3](=[O:4])(-[c:5]:[c:6]-[N:7])-[O:10].[c:1]-[N:2]	1	2191
+[c:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-1=[O:7]>>[C:3](-[C:4]-[C:5]-[C:6](=[O:7])-[Cl:9])-[Cl:8].[c:1]-[N:2]	2	2192,2193
+[c:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:8].[c:1]-[N+:2](=[O:6])-[O-:7]	2	2194,2195
+[c:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	2	2196,2197
+[c:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[O:8]-[C:9](-[C:10])=[O:11].[c:1]-[N+:2](=[O:6])-[O-:7]	2	2198,2199
+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[C:3](=[N:4]-[C:7](=[O:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)=[S:5].[c:1]-[N:2]	1	2200
+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[C:3](=[N:4]-[C:8](=[O:9])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)=[S:5].[c:1]-[N+:2](=[O:6])-[O-:7]	1	2201
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+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[c:1]-[N:2].[C:3](=[N:4]-[C:7](=[O:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)=[S:5]	2	2205,2206
+[c:1]-[N:2]-[C:3](-[N:4]-[C:9]=[O:8])=[S:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[N:4]-[C:9]=[O:8])=[S:5]	2	2207,2208
+[c:1]-[N:2]-[C:3](-[c:4](:[c:5]):[n:6])=[O:7]>>[C:3](-[c:4](:[c:5]):[n:6])(=[O:7])-[O:8]-[C:9]-[C:10].[c:1]-[N:2]	1	2209
+[c:1]-[N:2]-[C:3](=[N:4])-[c:5](:[c:6]):[s:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[N:4])(-[c:5](:[c:6]):[s:7])-[S:10]-[C:11]	1	2210
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[N:8]>>[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[N:8])-[O:11].[c:1]-[N+:2](=[O:9])-[O-:10]	1	2211
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]-[N:6](-[C:7])-[C:8]>>[C:3](=[O:4])(-[C:5]-[Cl:9])-[Cl:10].[N:6](-[C:7])-[C:8].[c:1]-[N:2]	3	2212,2213,2214
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]=[O:6]>>[C:3](=[O:4])(-[C:5]=[O:6])-[Cl:9].[c:1]-[N+:2](=[O:7])-[O-:8]	1	2215
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](-[O:4])(-[C:5])=[O:8].[c:1]-[N+:2](=[O:6])-[O-:7]	1	2216
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:13].[c:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	2217
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	2	2218,2219
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8].[c:1]-[N:2]	1	2220
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6].[c:1]-[N:2]	2	2221,2222
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:8].[c:1]-[N+:2](=[O:6])-[O-:7]	9	2223,2224,2225,2226,2227,2228,2229,2230,2231
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[C:5])-[Cl:8]	2	2232,2233
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[C:5])-[O:8]	5	2234,2235,2236,2237,2238
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[c:1]-[N:2].[N:5](-[C:6])-[C:7].[C:3](=[O:4])(-[O:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1)-[Cl:15]	1	2239
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[c:1]-[N:2]=[C:3]=[O:4].[N:5](-[C:6])(-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	2240
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[C:3](=[O:4])=[N:5]-[C:6].[c:1]-[N+:2](=[O:7])-[O-:8]	1	2241
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[C:3](=[O:4])(-[O:7]-[C:8](-[Cl:9])(-[Cl:10])-[Cl:11])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16].[c:1]-[N:2]	1	2242
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N+:2](=[O:7])-[O-:8].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:12]:[c:13]:[c:9]:[c:15]:[c:16]:1)-[Cl:14]	1	2243
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N+:2](=[O:7])-[O-:8].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:9]:[c:12]:[c:13]:[c:15]:[c:16]:1)-[Cl:14]	1	2244
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N:2].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1)-[Cl:14]	2	2245,2246
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N:2].[C:3](=[O:4])(-[O:8]-[C:10](-[C:7])=[C:9])-[Cl:11]	1	2247
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+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[c:1]-[N:2].[N:5]-[C:6].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1)-[Cl:14]	1	2250
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[c:7]):[n:8]>>[N:5]-[c:6](:[c:7]):[n:8].[c:1]-[N:2].[C:3](=[O:4])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	2251
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[c:9]:[n:8]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:1)-[Cl:17].[N:5]-[c:6](:[n:7]):[c:9]:[n:8]	1	2252
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:7])-[O-:8].[c:1]-[N:2]=[C:3]=[O:4]	1	2253
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[C:3](=[O:4])=[N:5]-[c:6]	1	2254
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]>>[C:3](=[O:4])(-[N:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	1	2255
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[c:1]-[N+:2](=[O:10])-[O-:11]	1	2256
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[c:1]-[N+:2](=[O:10])-[O-:11].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	2257
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]>>[C:3](=[O:4])(-[O:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	2	2258,2259
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[O:5])-[Cl:8]	5	2260,2261,2262,2263,2264
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:10]	1	2265
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:8]-[C:9]	1	2266
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[Cl:10]	1	2267
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[O:10]	1	2268
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[O:8]-[C:9]	1	2269
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:8]	1	2270
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[Cl:10].[c:1]-[N+:2](=[O:8])-[O-:9]	1	2271
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:10]	2	2272,2273
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:10].[c:1]-[N+:2](=[O:8])-[O-:9]	1	2274
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[s:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[s:7])-[O:8].[c:1]-[N:2]	1	2275
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	1	2276
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:12].[c:1]-[N:2]-[C:6](=[O:7])-[C:8](-[F:9])(-[F:10])-[F:11]	1	2277
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6]-[C:7].[c:1]-[N:2]	1	2278
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6].[c:1]-[N:2]	2	2279,2280
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:8]-[C:9].[c:1]-[N+:2](=[O:6])-[O-:7]	1	2281
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:8].[c:1]-[N+:2](=[O:6])-[O-:7]	1	2282
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[c:5])-[Cl:8]	4	2283,2284,2285,2286
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[c:5])-[O:8]	4	2287,2288,2289,2290
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]	1	2291
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:7])-[O-:8].[c:1]-[N:2]=[C:3]=[S:4]	1	2292
+[c:1]-[N:2]-[C:3](=[S:4])-[c:5]>>[c:1]-[N:2].[C:3](-[c:5])(=[O:27])-[Cl:28].[S:4]=[P:7]-1(-[S:8]-[P:9](-[c:10]:2:[c:11]:[c:12]:[c:13](-[O:14]-[C:15]):[c:16]:[c:17]:2)(=[S:18])-[S:19]-1)-[c:20]:3:[c:6]:[c:26]:[c:23](:[c:22]:[c:21]:3)-[O:24]-[C:25]	1	2293
+[c:1]-[N:2]-[C:3]-[C:4]-[O:5]>>[C:3]-1-[C:4]-[O:5]-1.[c:1]-[N+:2](=[O:6])-[O-:7]	1	2294
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])(=[O:5])-[Cl:6].[c:1]-[N:2]	1	2295
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[c:1]-[N:2]	1	2296
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])=[O:12].[c:1]-[N:2]-[C:5](-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])=[O:11]	1	2297
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])=[O:7].[c:1]-[N+:2](=[O:5])-[O-:6]	1	2298
+[c:1]-[N:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:7].[c:1]-[N+:2](=[O:5])-[O-:6]	3	2299,2300,2301
+[c:1]-[N:2]-[C:3]-[c:4]>>[C:3]-[c:4].[c:1]-[N:2]	1	2302
+[c:1]-[N:2]-[C:3]-[c:4]>>[c:1]-[N:2].[C:3](-[c:4])(=[O:5])-[Cl:6]	1	2303
+[c:1]-[N:2]-[C:3]=[O:4]>>[c:1]-[N+:2](=[O:5])-[O-:6].[C:3](=[O:4])-[O:7]	1	2304
+[c:1]-[N:2]-[C:6](-[C:5]-[N:3]-[C:4])=[O:7]>>[N:3]-[C:4].[C:5](-[C:6](=[O:7])-[Cl:9])-[Cl:8].[c:1]-[N:2]	1	2305
+[c:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:9].[c:1]-[N+:2](=[O:7])-[O-:8]	1	2306
+[c:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:9]	9	2307,2308,2309,2310,2311,2312,2313,2314,2315
+[c:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[c:1]-[N:2]-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:14]	1	2316
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[c:1]-[N+:2](=[O:10])-[O-:11].[S:3](=[O:4])(=[O:5])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:12]-[S:13](=[O:14])(=[O:15])-[C:16](-[F:17])(-[F:18])-[F:19]	1	2317
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[c:8]>>[c:6](:[c:7]):[c:8].[c:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[Cl:9])-[O:10]	1	2318
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:9].[c:1]-[N+:2](=[O:7])-[O-:8]	2	2319,2320
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:9]	4	2321,2322,2323,2324
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[c:1]-[N:2]-[C:7](-[O:8]-[C:9]-[C:10]=[C:11])=[O:12].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:13]	1	2325
+[c:1]-[N:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:8].[c:1]-[N+:2](=[O:6])-[O-:7]	1	2326
+[c:1]-[N:2]-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]>>[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:10].[c:1]-[N+:2](=[O:8])-[O-:9]	1	2327
+[c:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:10]	1	2328
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1)-[Cl:12].[c:1]-[N+:2](=[O:10])-[O-:11]	1	2329
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1)-[O:10].[c:1]-[N:2]	1	2330
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[N+:2](=[O:9])-[O-:10].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	1	2331
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[N:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	2	2332,2333
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9].[c:1]-[N:2]	1	2334
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](-[C:6](-[N:7])=[O:8]):[c:9](-[N:10]-[C:11](=[O:12])-[c:13]):[s:14]:1>>[N:4]-[C:5](-[C:6](-[N:7])=[O:8])-[C:9]#[N:10].[C:11](=[O:12])(-[c:13])-[Cl:15].[c:1]-[N:2]=[C:3]=[S:14]	1	2335
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](-[C:6](=[O:7])-[O:8]):[c:9]:[s:10]:1>>[C:5](-[C:6](=[O:7])-[O:8])(-[C:9]-[Br:19])=[O:20].[c:1]-[N:2].[C:3](=[N:4]-[C:11](=[O:12])-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)=[S:10]	1	2336
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](-[N:6]):[c:7](-[C:8]=[O:9]):[s:10]:1>>[N:4]-[C:5]#[N:6].[C:7](-[C:8]=[O:9])-[Br:21].[C:3](=[S:10])(-[n:11]:1:[c:12]:[c:13]:[n:14]:[c:15]:1)-[n:16]:2:[c:17]:[c:18]:[n:19]:[c:20]:2.[c:1]-[N:2]	1	2337
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1-[C:10]):[c:8]>>[N+:4](-[c:5](:[c:6](:[c:7])-[N:9]-[C:10]):[c:8])(=[O:12])-[O-:13].[c:1]-[N:2]=[C:3]=[S:11]	1	2338
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:1]-[N+:2](=[O:9])-[O-:10].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:11]	3	2339,2340,2341
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:11].[c:1]-[N+:2](=[O:9])-[O-:10]	2	2342,2343
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:10]-[C:9].[c:1]-[N:2]	2	2344,2345
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[o:7]:1>>[c:3]:1:[n:4]:[c:5]:[c:6]:[o:7]:1.[c:1]-[N:2]	1	2346
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:3](-[c:8](:[c:7](-[N:6]):[c:10]):[c:9])(=[O:11])-[O:12].[N:4]-[C:5]=[O:13].[c:1]-[N:2]	1	2347
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:4]-[C:5]=[O:11].[C:3](-[c:8](:[c:7](-[N+:6](=[O:14])-[O-:15]):[c:10]):[c:9])(=[O:12])-[O:13].[c:1]-[N:2]	1	2348
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	1	2349
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9].[c:1]-[N:2]	1	2350
+[c:1]-[N:2]=[C:3]=[S:4]>>[C:3](=[S:4])(-[Cl:7])-[Cl:8].[c:1]-[N+:2](=[O:5])-[O-:6]	4	2351,2352,2353,2354
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+[c:1]-[N:4]-[C:2](-[c:3])=[O:5]>>[c:1]-[N:4].[C:2](-[c:3])(=[O:5])-[O:6]-[C:7]	1	2356
+[c:1]-[N:5]-[C:3](=[S:2])-[c:4]>>[C:3](-[c:4])(=[O:27])-[Cl:28].[c:1]-[N:5].[S:2]=[P:7]-1(-[S:8]-[P:9](-[c:10]:2:[c:11]:[c:12]:[c:13](-[O:14]-[C:15]):[c:16]:[c:17]:2)(=[S:18])-[S:19]-1)-[c:20]:3:[c:6]:[c:26]:[c:23](:[c:22]:[c:21]:3)-[O:24]-[C:25]	1	2357
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[O:6].[c:1]-[O:2]	2	2358,2359
+[c:1]-[O:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[O:7]-[C:8](-[C:9])=[O:10].[c:1]-[O:2]-[C:6]	2	2360,2361
+[c:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6].[c:1]-[O:2]	1	2362
+[c:1]-[O:2]-[C:3]-1(-[C:4](=[O:5])-[O:6])-[C:7]-[C:8]-1>>[C:3](-[C:4](=[O:5])-[O:6])(-[C:7]-[C:8]-[Br:9])-[Br:10].[c:1]-[O:2]	1	2363
+[c:1]-[O:2]-[C:3]-[C:4](=[O:5])-[N:6]-[c:7]>>[C:3](-[C:4](=[O:5])-[Cl:9])-[Cl:8].[c:1]-[O:2].[N:6]-[c:7]	1	2364
+[c:1]-[O:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])-[Br:8].[c:1]-[O:2]-[C:7]	1	2365
+[c:1]-[O:2]-[C:3]-[C:4]-[C:5]>>[c:1]-[O:2].[C:3]=[C:4]-[C:5]	1	2366
+[c:1]-[O:2]-[C:3]-[C:4]=[C:5](-[Cl:6])-[Cl:7]>>[C:3](-[C:4]=[C:5](-[Cl:6])-[Cl:7])-[Cl:16].[c:1]-[O:2]-[C:8](=[O:9])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	2367
+[c:1]-[O:2]-[C:3]-[C:4]=[O:5]>>[C:3](-[C:4]=[O:5])-[Br:13].[c:1]-[O:2]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	2368
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])(=[O:5])-[O:6]-[C:7]-[C:8].[c:1]-[O:2]	1	2369
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:12].[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	2	2370,2371
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:6].[c:1]-[O:2]-[C:5]	4	2372,2373,2374,2375
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Cl:12].[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	2	2376,2377
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Cl:6].[c:1]-[O:2]-[C:5]	2	2378,2379
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:12].[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	2	2380,2381
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[c:1]-[O:2]	2	2382,2383
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:6].[c:1]-[O:2]-[C:5]	1	2384
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2]-[C:5].[C:3](-[C:4])-[Br:6]	1	2385
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2]-[C:5].[C:3](-[C:4])-[O:6]	1	2386
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2]-[Si:5](-[C:6](-[C:7])(-[C:8])-[C:9])(-[C:10])-[C:11].[C:3](-[C:4])-[O:12]	1	2387
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2].[C:3](-[C:4])(=[O:5])-[O:6]	1	2388
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2].[C:3](-[C:4])-[O:5]	2	2389,2390
+[c:1]-[O:2]-[C:3]-[c:4](:[c:5]:[o:6]):[n:7]>>[C:3](-[c:4](:[c:5]:[o:6]):[n:7])-[Cl:15].[c:1]-[O:2]-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	2391
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])-[Cl:14].[c:1]-[O:2]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	2392
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])-[O:7].[c:1]-[O:2]	1	2393
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[O:2]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:3](-[c:4](:[n:5]):[c:6])-[Cl:14]	1	2394
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[O:2]-[C:7].[C:3](-[c:4](:[n:5]):[c:6])-[Cl:8]	1	2395
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[O:2].[C:3](-[c:4](:[n:5]):[c:6])-[O:7]	1	2396
+[c:1]-[O:2]-[C:3]-[c:4]:[c:6]:[n:5]>>[C:3](-[c:4]:[c:6]:[n:5])(=[O:7])-[O:8]-[C:9].[c:1]-[O:2]	1	2397
+[c:1]-[O:2]-[C:3]-[c:4]:[c:6]:[n:5]>>[C:3](-[c:4]:[c:6]:[n:5])-[O:7].[c:1]-[O:2]	1	2398
+[c:1]-[O:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:12].[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	1	2399
+[c:1]-[O:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:12].[c:1]-[O:2]-[Si:5](-[C:6](-[C:7])(-[C:8])-[C:9])(-[C:10])-[C:11]	1	2400
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+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1.[C:3](-[c:4])-[Br:12]	1	2402
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2]-[C:5].[C:3](-[c:4])-[Br:6]	1	2403
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2]-[C:5].[C:3](-[c:4])-[Cl:6]	1	2404
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2].[C:3](-[c:4])(-[O:5])=[O:6]	1	2405
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2].[C:3](-[c:4])-[O:5]	1	2406
+[c:1]-[O:2]-[C:3]>>[C:3]-[O:7]-[S:8](-[O:9]-[C:10])(=[O:11])=[O:12].[c:1]-[O:2]-[C:4](-[C:5])=[O:6]	1	2407
+[c:1]-[O:2]-[C:4]-[c:3]>>[c:1]-[O:2]-[C:5].[c:3]-[C:4]-[Br:6]	1	2408
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[c:1]-[O:2]-[C:10].[S:3](=[O:4])(=[O:5])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:11]-[S:12](=[O:13])(=[O:14])-[C:15](-[F:16])(-[F:17])-[F:18]	2	2409,2410
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1>>[S:3](=[O:4])(=[O:5])(-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1)-[Cl:14].[c:1]-[O:2]-[C:13]	1	2411
+[c:1]-[O:2]-[Si:3](-[C:4])(-[C:5])-[C:6]>>[Si:3](-[C:4])(-[C:5])(-[C:6])-[Cl:8].[c:1]-[O:2]-[C:7]	2	2412,2413
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[O:2]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[c:3](:[c:4])(:[c:5])-[B:13](-[O:14])-[O:15]	2	2414,2415
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[O:2]-[C:6].[c:3](:[c:4])(:[c:5])-[F:7]	1	2416
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[B:13](-[O:14])-[O:15].[c:1]-[O:2]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	2417
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[F:13].[c:1]-[O:2]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	2418
+[c:1]-[O:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:15].[c:1]-[O:2]-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	2419
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	1	2420
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6]-[c:7])-[c:8]>>[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:9].[C:6](-[c:7])=[O:10].[N:5]-[c:8]	1	2421
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6]>>[N:5](-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	2422
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6]>>[N:5](-[C:6])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	2423
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:8])-[O-:9].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	2424
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[N:5](-[c:6])-[C:8](-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	2425
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7].[N+:5](-[c:6])(=[O:8])-[O-:9]	1	2426
+[c:1]-[c:2]:1:[c:3](-[C:4]):[s:5]:[c:6](-[N:7]):[n:8]:1>>[S:5]=[C:6](-[N:7])-[N:8].[c:1]-[C:2](-[C:3]-[C:4])=[O:9]	1	2427
+[c:1]-[c:2]:1:[c:3](-[C:4]):[s:5]:[c:6](-[N:7]-[C:8](=[O:9])-[c:10]):[n:11]:1>>[S:5]=[C:6](-[N:7])-[N:11].[C:8](=[O:9])(-[c:10])-[Cl:12].[c:1]-[C:2](-[C:3]-[C:4])=[O:13]	1	2428
+[c:1]-[c:2]:1:[c:3](-[C:4]):[s:5]:[c:6](-[N:7]-[C:8](=[O:9])-[c:10]):[n:11]:1>>[S:5]=[C:6](-[N:7])-[N:11].[C:8](=[O:9])(-[c:10])-[Cl:14].[c:1]-[C:2](-[C:3](-[C:4])-[Br:12])=[O:13]	1	2429
+[c:1]-[c:2]:1:[c:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[F:8]):[n:9]:[n:10]:1-[c:11]>>[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])(=[O:13])-[O:14]-[C:15]-[C:16].[N:9]-[N:10]-[c:11].[c:1]-[C:2](-[C:3])=[O:12]	1	2430
+[c:1]-[c:2]:1:[c:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[c:1]-[C:2]#[C:3]-[Si:9](-[C:10])(-[C:11])-[C:12].[c:4](:[c:5](:[c:6])-[O:8])(:[c:7])-[I:13]	1	2431
+[c:1]-[c:2]:1:[c:3]:[n:4](-[c:5](:[c:6]):[c:7]):[n:8]:[n:9]:1>>[N-:4]=[N+:8]=[N-:9].[c:5](:[c:6])(:[c:7])-[F:10].[c:1]-[C:2]#[C:3]	1	2432
+[c:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[N:6]):[n:7]:1>>[S:4]=[C:5](-[N:6])-[N:7].[c:1]-[C:2](-[C:3])=[O:8]	1	2433
+[c:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[c:6]):[n:7]:1>>[C:5](-[c:6])(-[N:7])=[O:31].[S:4]=[P:10]-1(-[S:11]-[P:12](-[c:13]:2:[c:14]:[c:15]:[c:16](-[O:17]-[C:18]):[c:19]:[c:20]:2)(=[S:21])-[S:22]-1)-[c:23]:3:[c:24]:[c:25]:[c:26](-[O:27]-[C:28]):[c:29]:[c:30]:3.[c:1]-[C:2](-[C:3]-[Br:8])=[O:9]	1	2434
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[o:9]:1>>[N:3]#[C-:4]~[Cu+:12].[N:8]-[O:9].[c:5](:[c:6])(:[c:7])-[Br:13].[c:1]-[C:2](=[O:10])-[O:11]	1	2435
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6](-[C:7]-[N:8]):[c:9](-[N:10]):[n:11]:1>>[C:6](-[C:7]#[N:8])-[C:9]#[N:10].[C:4](-[c:5])=[O:12].[c:1]-[C:2](=[N:3])-[N:11]	1	2436
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:6]-[O:7].[N:3]#[C:4]-[c:5].[c:1]-[C:2](=[O:8])-[Cl:9]	2	2437,2438
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:6]-[O:7].[N:3]#[C:4]-[c:5].[c:1]-[C:2](=[O:8])-[O:9]	1	2439
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[N+:3](=[O:11])(-[O-:12])-[O:13].[c:1]-[C:2](=[O:9])-[O:10].[c:4](:[c:5](:[c:6])-[O:8]):[c:7]	1	2440
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[c:1]-[C:2](=[O:9])-[O:10].[N+:3](-[c:4](:[c:5](:[c:6])-[O:8]):[c:7])(=[O:11])-[O-:12]	1	2441
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6](=[O:7])-[O:9]):[c:8]:1>>[C:5](-[C:6](=[O:7])-[O:9])(=[O:10])-[O:12]-[C:13]-[C:14].[N:3]-[N:4].[c:1]-[C:2](-[C:8])=[O:11]	1	2442
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[o:7]:1>>[N:3]-[N:4]-[C:5](-[C:6])=[O:8].[c:1]-[C:2](=[O:7])-[O:9]	1	2443
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[c:1]-[C:2](=[O:8])-[Cl:9].[N:3]-[N:4]-[C:5](-[c:6])=[O:7]	2	2444,2445
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1>>[N:3]-[N:4].[C:5](-[N:8](-[C:7])-[C:9])(-[O:11]-[C:12])-[O:13]-[C:14].[c:1]-[C:2](-[C:6])=[O:10]	1	2446
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:5](-[C:6])(=[O:8])-[O:9].[N:3]-[O:4].[c:1]-[C:2]#[N:7]	1	2447
+[c:1]-[n:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:1>>[C:3]-1(-[C:4]-[C:5]-[C:6](-[O:9]-1)-[O:10]-[C:11])-[O:12]-[C:13].[c:1]-[N+:2](=[O:7])-[O-:8]	1	2448
+[c:1]-[n:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1>>[C:3](-[O:9]-[C:10]-[C:11])(-[O:12]-[C:13]-[C:14])-[O:15]-[C:16]-[C:17].[N-:4]=[N+:5]=[N-:6].[c:1]-[N+:2](=[O:7])-[O-:8]	1	2449
+[c:1]-[n:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1>>[N-:4]=[N+:5]=[N-:6].[C:3](-[O:9]-[C:10])(-[O:11]-[C:12])-[O:13]-[C:14].[c:1]-[N+:2](=[O:7])-[O-:8]	1	2450
+[c:1]-[n:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:[c:7]:1-[N:8]-[C:9](=[O:10])-[O:11]>>[C:4](-[C:5])(-[C:6]-[C:7]#[N:8])=[O:12].[C:9](=[O:10])(-[O:11])-[Cl:13].[c:1]-[N:2]-[N:3]	1	2451
+[c:1]-[n:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1-[N:7]>>[C:4](=[C:5](-[C:6]#[N:7])-[C:11](-[O:10]-[C:9]-[C:8])=[O:12])-[O:13]-[C:14]-[C:15].[c:1]-[N:2]-[N:3]	1	2452
+[c:1]:1(:[n:2]:[c:3](:[c:4](:[n:5]:1):[c:6]):[c:7])-[Cl:8]>>[Cl:8]-[P:9](-[Cl:10])(-[Cl:22])=[O:23].[N:2]-[c:3](:[c:4](-[N:5]):[c:6]):[c:7].[C:1](=[O:11])(-[n:12]:1:[c:13]:[n:14]:[c:15]:[c:16]:1)-[n:17]:2:[c:18]:[n:19]:[c:20]:[c:21]:2	1	2453
+[c:1]:1(:[n:2]:[c:3](:[c:4]):[c:6](:[c:5]):[c:7]:[c:8]:1)-[O:9]>>[N:2]-[c:3](:[c:4]):[c:6]:[c:5].[C:1](-[C:8]=[C:7]-[c:14]:1:[c:13]:[c:12]:[c:11]:[c:10]:[c:15]:1)(=[O:9])-[Cl:16]	1	2454
+[c:1]:1(:[n:2]:[c:3]:[c:4](-[C:5](-[N:6])=[O:7]):[c:8]:[n:9]:1)-[O:15]-[n:14](:[c:11](:[c:10]):[c:12]):[n:13]>>[c:1]:1(:[n:2]:[c:3]:[c:4](-[C:5](=[O:7])-[O:16]-[C:18]-[C:19]):[c:8]:[n:9]:1)-[Cl:17].[N:6].[c:10]:[c:11](:[c:12]):[n:14](:[n:13])-[O:15]	1	2455
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8])-[Cl:9]>>[C:1](-[c:6](:[c:5](-[N:4]):[c:8]):[c:7])(=[O:14])-[O:15].[Cl:9]-[P:10](=[O:11])(-[Cl:12])-[Cl:13].[N:2]-[C:3]=[O:16]	1	2456
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8])-[Cl:9]>>[Cl:9]-[P:11](=[O:12])(-[Cl:13])-[Cl:15].[N:2]-[C:3]=[O:10].[C:1](-[c:6](:[c:5](-[N+:4](=[O:17])-[O-:18]):[c:8]):[c:7])(=[O:14])-[O:16]	1	2457
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8])-[O:9]>>[N:2]-[C:3]=[O:10].[C:1](-[c:6](:[c:5](-[N+:4](=[O:12])-[O-:13]):[c:8]):[c:7])(=[O:9])-[O:11]	1	2458
+[c:1]:1-[C:2](=[O:3])-[N:4](-[C:5]-[C:7](-[N:6])=[O:8])-[C:9](=[O:10])-[c:11]:1>>[N:4]-[C:5]-[C:7](-[N:6])=[O:8].[c:1](-[C:2](=[O:3])-[O:12]-[C:14]):[c:11]-[C:9](=[O:10])-[O:13]	1	2459
+[c:1]:1-[C:2](=[O:3])-[N:4](-[c:5])-[C:6](=[O:7])-[c:8]:1>>[N+:4](-[c:5])(=[O:10])-[O-:11].[c:1]:1-[C:2](=[O:3])-[O:9]-[C:6](=[O:7])-[c:8]:1	1	2460
+[c:1]:1-[C:2]-[C:3]-[C:4](=[O:5])-[c:6]:1:[c:7]>>[c:1](-[C:2]=[C:3]-[C:4](=[O:5])-[O:8]):[c:6]:[c:7]	1	2461
+[c:1]:1-[N:2]-[C:3](=[O:4])-[C:5](=[O:6])-[N:7]-[c:8]:1>>[C:3](=[O:4])(-[C:5](=[O:6])-[O:11])-[O:12].[c:1](-[N+:2](=[O:9])-[O-:10]):[c:8]-[N:7]	1	2462
+[c:1]:1-[N:2]-[C:3](=[O:4])-[C:5](=[O:6])-[N:7]-[c:8]:1>>[c:1](-[N+:2](=[O:9])-[O-:10]):[c:8]-[N:7].[C:3](=[O:4])(-[C:5](=[O:6])-[O:11])-[O:12]	1	2463
+[c:1]:1:[c:2](-[C:3]#[N:4]):[c:5]:[n:6]:[c:7]:1>>[c:1]:1:[c:2]:[c:5]:[n:6]:[c:7]:1.[C:3](=[O:8])-[N:9](-[C:10])-[C:11].[N:4]	1	2464
+[c:1]:1:[c:2](-[C:3]-[C:4]-[C:5]):[s:6]:[c:7]:[c:8]:1>>[C:3]#[C:4]-[C:5].[c:1]:1:[c:2](:[s:6]:[c:7]:[c:8]:1)-[Br:9]	1	2465
+[c:1]:1:[c:2](-[C:3]-[O:4]):[c:5]:[n:6]:[o:7]:1>>[c:1]:1:[c:2](-[C:3](-[O:4]-[C:9]-[C:10])=[O:8]):[c:5]:[n:6]:[o:7]:1	2	2466,2467
+[c:1]:1:[c:2](-[C:3]=[C:4](-[C:5](=[O:6])-[N:7])-[c:8]):[n:9]:[c:10]:[c:11]:1>>[c:1]:1:[c:2]:[n:9]:[c:10]:[c:11]:1.[C:4](-[C:5](=[O:6])-[N:7])-[c:8].[C:3](=[O:12])-[N:13](-[C:14])-[C:15]	1	2468
+[c:1]:1:[c:2](-[N:3](-[C:4])-[C:5]):[n:6](-[c:7](:[c:8]):[c:9]):[c:10](:[c:11]):[c:12]:1>>[N:3](-[C:4])-[C:5].[c:1]:1:[c:2](:[n:6]:[c:10](:[c:11]):[c:12]:1)-[Cl:13].[c:7](:[c:8])(:[c:9])-[B:14](-[O:15])-[O:16]	1	2469
+[c:1]:1:[c:2](-[N:3](-[C:4])-[C:5]):[n:6]:[c:7]:[n:8]:[c:9]:1>>[N:3](-[C:4])-[C:5].[c:1]:1:[c:2](:[n:6]:[c:7]:[n:8]:[c:9]:1)-[O:10]	1	2470
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[o:6]:[c:7]:[c:8]:1>>[c:3](:[c:4])(:[c:5])-[B:9](-[O:10])-[O:11].[c:1]:1:[c:2]:[o:6]:[c:7]:[c:8]:1	1	2471
+[c:1]:1:[c:2](:[c:3]):[n:4](-[C:5]-[c:6]):[c:7]:2:[c:8]:1:[c:9](-[O:10]):[c:11]:[c:12]:[c:13]:2>>[c:1]:1:[c:2](:[c:3]):[n:4]:[c:7]-2:[c:8]:1-[C:9](=[O:10])-[C:11]-[C:12]-[C:13]-2.[C:5](-[c:6])-[Br:14]	1	2472
+[c:1]:1:[c:2](:[c:3]):[n:6](:[c:5]:[c:4]):[c:7]:[n:8]:1>>[C:1](-[c:2](:[c:3]):[n:6]:[c:5]:[c:4])-[N:8].[C:7](=[O:9])-[O:10]	1	2473
+[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[N:7]-[C:8]>>[N:7]-[C:8].[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[O:9]	2	2474,2475
+[c:1]:1:[c:2]:2:[c:3]:[c:4]:[n:5]:[c:6]:2:[c:7]:[n:8]:[c:9]:1>>[C:4](-[N:11](-[C:10])-[C:12])=[O:15].[c:1]:1:[c:2](-[C:3]):[c:6](-[N+:5](=[O:13])-[O-:14]):[c:7]:[n:8]:[c:9]:1	1	2476
+[c:1]:1:[c:2]:[c:3](-[C:4]-[C:5]):[c:6]:[n:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:6]:[n:7]:1.[C:4](-[C:5])(=[O:8])-[Cl:9]	1	2477
+[c:1]:1:[c:2]:[c:3](-[C:4]-[N:5](-[C:6])-[C:7]):[c:8]:[n:9]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[c:2]:[c:3]:[c:8]:[n:9]:1.[C:4](=[O:10])-[N:11](-[C:12])-[C:13]	1	2478
+[c:1]:1:[c:2]:[c:3](-[N:4](-[C:5])-[C:6]):[n:7]:[c:8]:[n:9]:1>>[N:4](-[C:5])-[C:6].[c:1]:1:[c:2]:[c:3](:[n:7]:[c:8]:[n:9]:1)-[O:10]	1	2479
+[c:1]:1:[c:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[n:8]:1>>[N:4]-[C:5].[c:1]:1:[c:2]:[c:3](:[n:6]:[c:7]:[n:8]:1)-[O:9]	1	2480
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[n:7]:[n:8]:[c:9]:2>>[N:8](=[O:12])-[O:13].[c:1]:1:[c:2]:[c:3](:[c:4](:[c:5]:[n:6]:1)-[N+:7](=[O:10])-[O-:11])-[C:9]	1	2481
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[n:5]:[c:6](-[C:7]):[n:8]:2-[c:9]):[c:10]:[n:11]:1>>[C:6](-[C:7])(-[O:14]-[C:15](-[C:16])=[O:17])=[O:18].[c:1]:1:[c:2]:[c:3](:[c:4](-[N+:5](=[O:12])-[O-:13]):[c:10]:[n:11]:1)-[N:8]-[c:9]	1	2482
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5](=[O:6])-[N:7]-[C:8]):[n:9]:1>>[C:5](=[O:6])(-[C:11](-[Cl:10])(-[Cl:12])-[Cl:13])-[Cl:14].[N:7]-[C:8].[c:1]:1:[c:2]:[c:3]:[c:4]:[n:9]:1	1	2483
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[s:8]:1.[C:5](=[O:6])-[N:9](-[C:10])-[C:11].[O:7]	1	2484
+[c:1]:1:[c:2]:[c:3]:[c:4](-[S:5](=[O:6])(=[O:7])-[N:8](-[C:9])-[C:10]):[s:11]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[s:11]:1.[S:5](=[O:6])(=[O:7])(-[Cl:12])-[O:13].[N:8](-[C:9])-[C:10]	1	2485
+[c:1]:1:[c:2]:[c:3]:[c:4](-[S:5](=[O:6])(=[O:7])-[N:8]):[s:9]:1>>[N:8].[S:5](=[O:6])(=[O:7])(-[Cl:10])-[Cl:11].[c:1]:1:[c:2]:[c:3]:[c:4]:[s:9]:1	1	2486
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:8]:1.[c:5](:[c:6])(:[c:7])-[B:9](-[O:10])-[O:11]	1	2487
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[N:7]):[s:8]:[c:9]:2:[n:10]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](-[N+:7](=[O:11])-[O-:12]):[c:9]:[n:10]:1.[N:5]#[C:6]-[S:8]	1	2488
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[N:7]-[C:8](=[O:9])-[C:10]):[s:11]:[c:12]:2:[n:13]:1>>[C:8](=[O:9])(-[C:10])-[Cl:14].[c:1]:1:[c:2]:[c:3]:[c:4](-[N:7]):[c:12]:[n:13]:1.[N:5]#[C:6]-[S:11]	1	2489
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[N:7]-[C:8](=[O:9])-[C:10]):[s:11]:[c:12]:2:[n:13]:1>>[C:8](=[O:9])(-[C:10])-[Cl:16].[c:1]:1:[c:2]:[c:3]:[c:4](-[N+:7](=[O:14])-[O-:15]):[c:12]:[n:13]:1.[N:5]#[C:6]-[S:11]	1	2490
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6]):[n:7]:1>>[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:7]:1)-[S:9]-[C:8].[N:6]	1	2491
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:1>>[N:6]-[C:7].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:8]:1)-[S:9]-[C:10]	1	2492
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:2:[c:6](-[C:7]):[n:8]:[n:9]:[c:10]:1:2>>[C:6](-[C:7])(=[O:11])-[O:12].[c:1]:1:[c:2]:[c:3]:[n:9]:[n:5]:[c:10]:1-[N:4]-[N:8]	1	2493
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5])-[C:6]):[n:7]:[c:8]:1>>[C:4](-[C:5])(-[C:6])-[O:9].[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1	1	2494
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5])-[C:6]):[n:7]:[c:8]:1>>[C:4](-[C:5])(-[C:6])=[O:9].[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1	1	2495
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5]-[C:6]#[N:7])(-[C:8])-[C:9]):[n:10]:[c:11]:1>>[C:4](-[C:8])(-[C:9])=[O:12].[c:1]:1:[c:2]:[n:3]:[n:10]:[c:11]:1.[C:5](-[C:6]#[N:7])-[P:13](-[O:14]-[C:15]-[C:16])(=[O:17])-[O:18]-[C:19]-[C:20]	1	2496
+[c:1]:1:[c:2]:[n:3](-[C:4]-[c:5]):[c:6](:[c:7]):[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:6](:[c:7]):[c:8]:1.[C:4]-[c:5]	1	2497
+[c:1]:1:[c:2]:[n:3](-[C:4]-[c:5]):[n:6]:[c:7]:1>>[C:4](-[c:5])-[O:8].[c:1]:1:[c:2]:[n:3]:[n:6]:[c:7]:1	1	2498
+[c:1]:1:[c:2]:[n:3](-[c:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:2):[c:10]:[n:11]:1>>[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[O:12].[c:1]:1:[c:2]:[n:3]:[c:10]:[n:11]:1	1	2499
+[c:1]:1:[c:2]:[n:3]:[c:4](-[C:5]=[C:6](-[C:7](=[O:8])-[N:9])-[c:10]):[c:11]:1>>[C:6](-[C:7](=[O:8])-[N:9])-[c:10].[C:5](=[O:12])-[N:13](-[C:14])-[C:15].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:11]:1	1	2500
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[s:8]:1>>[N:5](-[C:6])(-[C:7])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:1]:1:[c:2]:[n:3]:[c:4](:[s:8]:1)-[Br:9]	1	2501
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]):[n:7]:[c:8]:1>>[N:5]-[C:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[S:10]-[C:9]	1	2502
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[Cl:9].[N+:5](-[c:6])(=[O:10])-[O-:11]	1	2503
+[c:1]:1:[c:2]:[n:3]:[c:4]-2:[c:5](:[n:6]:1)-[C:7]-[C:8]-[C:9]-[N:10]-2-[C:11]-[C:12]>>[C:11](-[C:12])=[O:13].[c:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5](:[n:6]:1):[c:7]:[c:8]:[c:9]:[n:10]:2	2	2504,2505
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[N:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[Cl:10].[N+:7](-[c:8])(=[O:9])-[O-:11]	1	2506
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[N:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[Cl:9].[N+:7](-[c:8])(=[O:10])-[O-:11]	1	2507
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7](-[C:8])-[C:9]>>[N:7](-[C:8])(-[C:9])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:10]	1	2508
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[C:8]>>[N:7]-[C:8].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:9]	1	2509
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[c:8](:[c:9]):[n:10]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:11].[N:7]-[c:8](:[c:9]):[n:10]	1	2510
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:9].[N:7]-[c:8]	2	2511,2512
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:9].[O:7]-[c:8]	1	2513
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:7]:1-[N:6]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:7]:1-[Cl:10].[N-:6]=[N+:9]=[N-:8]	1	2514
+[c:1]:1:[c:2]:[s:3]:[c:4]:2:[c:5]:1:[c:6](-[N:7]-[c:8]):[n:9]:[c:10]:[n:11]:2>>[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1-[C:6](=[O:12])-[O:13]-[C:14]-[C:15])-[N:11].[N:7]-[c:8].[N:9]-[C:10]=[O:16]	1	2515
+[c:1]:1:[c:2]:[s:3]:[c:4]:2:[c:5]:1:[c:6](:[n:7]:[c:8]:[n:9]:2)-[Cl:10]>>[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1-[C:6](=[O:15])-[O:16]-[C:17]-[C:18])-[N:9].[Cl:10]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[N:7]-[C:8]=[O:19]	1	2516
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[N:4](-[C:5])=[N+:10]=[N-:11].[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	1	2517
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[N:4]-[C:5].[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10]-[C:9]	2	2518,2519
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10]-[C:9].[N:4]-[C:5]	1	2520
+[c:1]:1:[n:2]:[c:3](-[N:4]-[c:5]):[n:6]:[c:7]:[c:8]:1>>[N+:4](-[c:5])(=[O:10])-[O-:11].[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	2	2521,2522
+[c:1]:1:[n:2]:[c:3](-[N:4]-[c:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[Cl:9].[N+:4](-[c:5])(=[O:10])-[O-:11]	1	2523
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5](-[c:6])-[C:7](-[F:8])(-[F:9])-[F:10]):[c:11]:[c:12]:[n:13]:1>>[C:7](-[F:8])(-[F:9])(-[F:10])-[Si:15](-[C:16])(-[C:17])-[C:18].[O:4]=[C:5]-[c:6].[c:1]:1:[n:2]:[c:3](:[c:11]:[c:12]:[n:13]:1)-[Cl:14]	1	2524
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5]):[c:6]:[c:7]:[n:8]:1>>[c:1]:1:[n:2]:[c:3](:[c:6]:[c:7]:[n:8]:1)-[O:9].[O:4]-[C:5]	1	2525
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10]-[C:9].[O:4]-[C:5]	1	2526
+[c:1]:1:[n:2]:[c:3](-[O:4]-[n:5](:[n:6]):[c:8](:[c:7]):[c:9]):[n:10]:[c:11]:[c:12]:1-[C:13](-[N:14])=[O:15]>>[c:1]:1:[n:2]:[c:3](:[n:10]:[c:11]:[c:12]:1-[C:13](=[O:15])-[O:16]-[C:18]-[C:19])-[Cl:17].[N:14].[O:4]-[n:5](:[n:6]):[c:8](:[c:7]):[c:9]	1	2527
+[c:1]:1:[n:2]:[c:3](-[n:4]:2:[c:5]:[n:6]:[c:7]:[c:8]:2):[n:9]:[c:10]:[c:11]:1>>[c:1]:1:[n:2]:[c:3](:[n:9]:[c:10]:[c:11]:1)-[O:12].[n:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1	1	2528
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6](:[c:7]):[c:8])-[C:9]):[c:10]:1>>[C:5](-[C:9])(=[O:11])-[N:12](-[O:13]-[C:14])-[C:15].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:10]:1.[c:6](:[c:7])(:[c:8])-[Br:16]	1	2529
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6](:[c:7]):[c:8])-[C:9]):[c:10]:1>>[C:5](-[C:9])(=[O:11])-[O:13]-[C:14]-[C:15].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:10]:1.[c:6](:[c:7])(:[c:8])-[Br:12]	1	2530
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6])-[C:7]):[c:8]:1>>[C:5](-[c:6])(-[C:7])=[O:9].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:8]:1	1	2531
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[c:9]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[n:8]:[c:9]:1)-[Br:10].[c:5](:[c:6])(:[c:7])-[Br:11]	1	2532
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[c:9]:1>>[c:5](:[c:6])(:[c:7])-[B:10](-[O:11])-[O:12].[c:1]:1:[n:2]:[c:3]:[c:4]:[n+:8](:[c:9]:1)-[O-:13]	1	2533
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[c:9]:1>>[c:5](:[c:6])(:[c:7])-[B:12](-[O:13])-[O:14].[c:1]:1:[n:2]:[c:3]:[c:4](:[n+:8](:[c:9]:1)-[O-:11])-[Cl:10]	1	2534
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[s:8]:1>>[c:5](:[c:6])(:[c:7])-[B:9]-1-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14](-[O:15]-1)(-[C:16])-[C:17].[c:1]:1:[n:2]:[c:3]:[c:4]:[s:8]:1	1	2535
+[c:1]:1:[n:2]:[c:3]:[c:4](:[n:5]:[c:6]:1)-[Cl:7]>>[Cl:7]-[P:9](=[O:10])(-[Cl:11])-[Cl:12].[c:1]:1:[n:2]:[c:3]:[c:4]:[n+:5](:[c:6]:1)-[O-:8]	1	2536
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[Cl:6]):[c:7]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:7]:1)-[O:12]-[C:13].[Cl:6]-[P:9](-[Cl:8])(=[O:10])-[Cl:11]	1	2537
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6](-[C:7])-[C:8]):[c:9]:1>>[N:6](-[C:7])-[C:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[O:10]	2	2538,2539
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6](-[C:7])-[C:8]):[n:9]:1>>[N:6](-[C:7])-[C:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:9]:1)-[O:10]	2	2540,2541
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]):[c:7]:1>>[N-:6]=[N+:9]=[N-:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:7]:1)-[Cl:10]	1	2542
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]-[N:7]=[C:8](-[C:9])-[c:10]):[n:11]:1>>[N:6]-[N:7].[C:8](-[C:9])(-[c:10])=[O:13].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:11]:1)-[Cl:12]	1	2543
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]-[c:7]):[c:8]:1>>[N+:6](-[c:7])(=[O:10])-[O-:11].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[Cl:9]	1	2544
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[c:8]:1>>[O:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[O:9]	1	2545
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[n:8]:1>>[O:6](-[c:7])-[C:10].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:8]:1)-[Cl:9]	1	2546
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[n:8]:1>>[O:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:8]:1)-[O:9]	1	2547
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:6]:1)-[Cl:7]>>[Cl:7]-[P:8](=[O:9])(-[Cl:10])-[Cl:11].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:6]:1)-[O:12]-[C:13]	1	2548
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:[n:6]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:6]:1)-[O:7]	1	2549
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[C:7]>>[C:6](-[C:7])-[O:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1	1	2550
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[C:7]>>[C:6](-[C:7])=[O:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1	1	2551
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[c:7]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1.[C:6]-[c:7]	1	2552
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[C:6]-[N:7]):[c:8]:1>>[C:6]#[N:7].[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[Cl:9]	1	2553
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[c:8]:1>>[N:6](-[C:7])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[Cl:9]	1	2554
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[N:6]-[c:7]):[c:8]:1>>[N:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[O:9]	1	2555
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+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:[n:6]:[c:7]:2-[C:8]):[c:9]:[c:10]:1>>[C:7](-[C:8])(=[O:11])-[O:13]-[C:14].[N:5]-[N:6].[c:1]:1:[n:2]:[n:3]:[c:4](:[c:9]:[c:10]:1)-[Cl:12]	1	2560
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+[c:1]:[c:12]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6](-[c:7](:[c:8]):[c:9]):[n:10]:[c:11]:1>>[c:1]:[c:12]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6]:[n:10]:[c:11]:1.[c:7](:[c:8])(:[c:9])-[B:13](-[O:14])-[O:15]	1	2563
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[B:3](-[O:4]-[C:8])(-[O:5]-[C:7])-[O:9]-[C:10].[c:1]:[c:2]:[c:6]	1	2564
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[B:3]-1(-[O:4]-[C:8](-[C:7])(-[C:9])-[C:10](-[O:5]-1)(-[C:11])-[C:12])-[B:13]-2-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18](-[O:19]-2)(-[C:20])-[C:21].[c:1]:[c:2](:[c:6])-[Br:22]	1	2565
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+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[c:1]:[c:2]:[c:5].[C-:3](#[N:4])~[Cu+:6]	1	2573
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]>>[N:4].[c:1]:[c:2](-[C:3](=[O:6])-[O:7]):[n:5]	2	2574,2575
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]>>[c:1]:[c:2](-[C:3](=[O:6])-[O:7]):[n:5].[N:4]	1	2576
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+[c:1]:[c:2](-[C:3](-[C:4])-[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:8].[C:3](-[C:4])(-[c:5])=[O:7]	1	2581
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+[c:1]:[c:2](-[C:3](-[N:4])=[O:6]):[n:5]>>[c:1]:[c:2](-[C:3](=[O:6])-[O:7]):[n:5].[N:4]	1	2583
+[c:1]:[c:2](-[C:3](-[O:4])(-[C:5])-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[C:3](-[O:4])(-[C:5])-[C:6]	1	2584
+[c:1]:[c:2](-[C:3](-[O:4])-[C:5]#[C:6]):[c:7]>>[C:3](=[O:4])-[N:8](-[C:9])-[C:10].[c:1]:[c:2](:[c:7])-[Br:11].[C:5](#[C:6])-[Mg:12]-[Br:13]	1	2585
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+[c:1]:[c:2](-[C:3](=[O:4])-[N:5](-[O:6])-[C:7]):[n:8]>>[N:5](-[O:6])-[C:7].[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]):[n:8]	1	2597
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[c:1]:[c:2](:[c:7])-[Br:8].[C:3](=[O:4])-[N:9](-[C:10])-[C:11]	1	2598
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]>>[N:5]-[C:6].[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[n:7]	2	2599,2600
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[s:7]>>[N:5]-[C:6].[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[s:7]	2	2601,2602
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-[C:8](-[N:7])=[O:9]):[n:10]>>[N:5]-[C:6]-[C:8](-[N:7])=[O:9].[c:1]:[c:2](-[C:3](=[O:4])-[O:11]-[C:12]-[C:13]):[n:10]	1	2603
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-[C:8](-[N:7])=[O:9]):[n:10]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:11]):[n:10].[N:5](-[C:6]-[C:8](-[N:7])=[O:9])-[C:12](=[O:13])-[O:14]-[C:15]-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1	1	2604
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[n:7]>>[N:5]-[c:6].[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]-[C:10]):[n:7]	1	2605
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[n:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]-[C:10]):[n:7].[N:5]-[c:6]	1	2606
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[o:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[o:7].[N:5]-[c:6]	1	2607
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]):[c:6]>>[C:3]=[O:4].[O:5]-[C:7].[c:1]:[c:2](:[c:6])-[Br:8]	1	2608
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]):[c:6]>>[O:5]-[C:7].[c:1]:[c:2](:[c:6])-[Br:8].[C:3](=[O:4])-[N:9](-[C:10])-[C:11]	1	2609
+[c:1]:[c:2](-[C:3](=[O:4])-[O:6]):[c:5]>>[C:3]=[O:4].[c:1]:[c:2](:[c:5])-[Br:8].[O:6]-[C:7]	1	2610
+[c:1]:[c:2](-[C:3](=[O:4])-[O:6]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:8].[O:6]-[C:7].[C:3](=[O:4])-[N:9](-[C:10])-[C:11]	1	2611
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8]):[c:9]>>[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8].[c:1]:[c:2](:[c:9])-[Br:10]	1	2612
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])(-[c:5])-[O:7].[c:1]:[c:2]:[c:6]	1	2613
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])(-[c:5])-[O:8].[c:1]:[c:2](:[c:6])-[Br:7]	1	2614
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])-[c:5].[c:1]:[c:2](:[c:6])-[Br:7]	2	2615,2616
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+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[C:3](=[O:4])-[c:5]	1	2618
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]:[c:7]:[n:6]):[c:8]>>[C:3](=[O:4])(-[c:5]:[c:7]:[n:6])-[O:10].[c:1]:[c:2](:[c:8])-[Br:9]	1	2619
+[c:1]:[c:2](-[C:3]-1-[C:4]-[O:5]-1):[c:6]>>[O:5]-[O:12]-[C:13](=[O:14])-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19](-[Cl:20]):[c:21]:1.[C:3](=[C:4])-[B-:7](-[F:8])(-[F:9])-[F:10].[c:1]:[c:2](:[c:6])-[Br:11]	1	2620
+[c:1]:[c:2](-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:7](-[C:8])-[C:9]=[C:10]-1):[c:11]>>[C:8]-[I:22].[c:1]:[c:2](:[c:11])-[B:12]-1-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17](-[O:18]-1)(-[C:19])-[C:20].[c:3]:1(:[c:4]:[c:5](-[O:6]):[n:7]:[c:9]:[c:10]:1)-[I:21]	1	2621
+[c:1]:[c:2](-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-1):[c:10]>>[C:3]-1(=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-1)-[I:12].[c:1]:[c:2](:[c:10])-[Br:11]	1	2622
+[c:1]:[c:2](-[C:3]-[C:4](-[C:5])=[C:6]):[c:7]>>[C:3](-[C:4](-[C:5])=[C:6])-[Cl:8].[c:1]:[c:2]:[c:7]	1	2623
+[c:1]:[c:2](-[C:3]-[C:4](=[O:6])-[O:7]):[c:5]>>[C:3](-[C:4](=[O:6])-[O:7])-[C:11](-[O:10]-[C:9]-[C:8])=[O:12].[c:1]:[c:2](:[c:5])-[F:13]	1	2624
+[c:1]:[c:2](-[C:3]-[C:4]):[c:5]>>[C:3](-[C:4])(=[O:6])-[O:7].[c:1]:[c:2]:[c:5]	1	2625
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5](=[O:6])-[c:7]):[c:8]>>[C:3]=[C:4]-[Mg:10]-[Br:11].[c:1]:[c:2](:[c:8])-[I:9].[C:5](=[O:6])-[c:7]	1	2626
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5](=[O:7])-[O:8]):[n:6]>>[c:1]:[c:2](-[C:3]=[O:9]):[n:6].[C:4](-[C:5](=[O:7])-[O:8])=[P:10](-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)(-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2)-[c:23]:3:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:3	1	2627
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5]):[c:6]>>[C:3]#[C:4]-[C:5].[c:1]:[c:2](:[c:6])-[Br:7]	3	2628,2629,2630
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5]):[c:6]>>[C:3]#[C:4]-[C:5].[c:1]:[c:2](:[c:6])-[I:7]	2	2631,2632
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[I:7].[C:3]#[C:4]-[C:5]	2	2633,2634
+[c:1]:[c:2](-[C:3]-[Cl:4]):[n:5]>>[Cl:4]-[S:6](=[O:7])-[Cl:8].[c:1]:[c:2](-[C:3]=[O:9]):[n:5]	1	2635
+[c:1]:[c:2](-[C:3]-[Cl:4]):[o:5]>>[Cl:4]-[S:6](=[O:7])-[Cl:8].[c:1]:[c:2](-[C:3](-[O:9])=[O:10]):[o:5]	1	2636
+[c:1]:[c:2](-[C:3]-[Cl:5]):[n:4]>>[c:1]:[c:2](-[C:3]-[O:9]-[C:10](-[C:11])=[O:12]):[n:4].[Cl:5]-[S:7](-[Cl:6])=[O:8]	1	2637
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[C:3](=[O:8])-[N:9](-[C:10])-[C:11].[c:1]:[c:2](:[c:7])-[Br:12]	1	2638
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[c:1]:[c:2]:[c:7].[C:3](=[O:8])-[N:9](-[C:10])-[C:11]	1	2639
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]>>[N:4](-[C:5])-[C:6].[c:1]:[c:2](-[C:3]-[O:8]):[n:7]	1	2640
+[c:1]:[c:2](-[C:3]-[N:4]):[c:5]>>[C:3]#[N:4].[c:1]:[c:2](:[c:5])-[Br:6]	1	2641
+[c:1]:[c:2](-[C:3]-[N:4]):[n:5]>>[N-:4]=[N+:7]=[N-:6].[c:1]:[c:2](-[C:3]-[Br:8]):[n:5]	1	2642
+[c:1]:[c:2](-[C:3]-[N:4]-[C:5]):[c:6]>>[N:4]-[C:5].[C:3](=[O:7])-[N:8](-[C:9])-[C:10].[c:1]:[c:2](:[c:6])-[Br:11]	1	2643
+[c:1]:[c:2](-[C:3]-[N:4]-[C:5]):[c:6]>>[N:4]-[C:5].[c:1]:[c:2](:[c:6])-[Br:8].[C:3](=[O:7])-[N:9](-[C:10])-[C:11]	1	2644
+[c:1]:[c:2](-[C:3]-[N:4]-[c:5]):[c:6]>>[C:3](=[O:7])-[N:8](-[C:9])-[C:10].[c:1]:[c:2](:[c:6])-[Br:11].[N:4]-[c:5]	1	2645
+[c:1]:[c:2](-[C:3]-[O:4]):[n:5]>>[O:4]=[Se:6]=[O:7].[c:1]:[c:2](-[C:3]):[n:5]	3	2646,2647,2648
+[c:1]:[c:2](-[C:3]-[O:4]-[C:5](-[C:6])=[O:7]):[n:8]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[n:8].[C:5](-[C:6])(=[O:7])-[Cl:12]	1	2649
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+[c:1]:[c:2](-[C:3]=[O:5]):[n:4]>>[c:1]:[c:2](-[C:3](=[O:5])-[O:6]-[C:7]-[C:8]):[n:4]	1	2671
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+[c:1]:[c:2](-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]):[c:8]>>[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:17].[c:1]:[c:2](:[c:8])-[O:9]-[S:10](-[C:11](-[F:12])(-[F:13])-[F:14])(=[O:15])=[O:16]	1	2774
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:9].[c:3](:[c:4]:[n:5])(:[c:6])-[Br:8]	1	2775
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:6]):[c:7]>>[c:3](:[c:4]:[n:5])(:[c:6])-[Br:8].[c:1]:[c:2](:[c:7])-[Br:9]	2	2776,2777
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:10].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:9]	1	2778
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:10].[c:1]:[c:2](:[c:8])-[Br:9]	1	2779
+[c:1]:[c:2](-[c:3]:1:[c:4](-[C:5]):[s:6]:[c:7](-[N:8]):[n:9]:1):[c:10]>>[C:3](-[C:4]-[C:5])(=[O:11])-[Cl:12].[S:6]=[C:7](-[N:8])-[N:9].[c:1]:[c:2]:[c:10]	1	2780
+[c:1]:[c:2](-[c:3]:1:[c:4](-[C:5]):[s:6]:[c:7](-[N:8]-[C:9](=[O:10])-[c:11]):[n:12]:1):[c:13]>>[C:3](-[C:4]-[C:5])(=[O:14])-[Cl:15].[S:6]=[C:7](-[N:8])-[N:12].[C:9](=[O:10])(-[c:11])-[Cl:16].[c:1]:[c:2]:[c:13]	1	2781
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5](-[C:6]):[n:7]:[n:8]:1):[n:9]>>[c:1]:[c:2](-[C:3]#[C:4]-[Si:10](-[C:11])(-[C:12])-[C:13]):[n:9].[N:5](-[C:6])=[N+:7]=[N-:8]	1	2782
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1):[c:9]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1)-[Br:10].[c:1]:[c:2](:[c:9])-[Br:11]	1	2783
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[B:9]-1-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14](-[O:15]-1)(-[C:16])-[C:17].[c:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1	1	2784
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]):[n:10]>>[c:1]:[c:2](-[C:3](=[O:11])-[O:12]-[C:13]-[C:14]):[n:10].[N:4]-[c:5](:[c:6](:[c:7])-[N:9]):[c:8]	1	2785
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[c:8]:[n:9]:1):[c:10]:[n:11]>>[c:1]:[c:2](:[c:10]:[n:11])-[Br:12].[c:3]:1(:[n:4]:[c:5](:[c:6]):[c:7]:[c:8]:[n:9]:1)-[Cl:13]	1	2786
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:[c:9]:1):[c:10]>>[c:3]:1(:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:[c:9]:1)-[O:14].[c:1]:[c:2](:[c:10])-[B:11](-[O:12])-[O:13]	1	2787
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Br:10].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	3	2788,2789,2790
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[I:10].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	1	2791
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[s:7]:1):[c:8]>>[c:3]:1(:[n:4]:[n:5]:[c:6]:[s:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[Br:10]	1	2792
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4](-[B:5](-[O:6])-[O:10]-[C:11](-[C:12])-[C:13])-[C:7](-[C:8])-[C:9].[c:1]:[c:2](:[c:3])-[Br:14]	1	2793
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4](-[B:5](-[O:6])-[O:8]-[C:9])-[C:7].[c:1]:[c:2](:[c:3])-[Br:10]	1	2794
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-1-[B:5](-[O:6]-[C:8]-[C:9](-[C:10]-1)(-[C:11])-[C:12])-[B:13]-2-[O:14]-[C:15]-[C:16](-[C:17])(-[C:18])-[C:19]-[O:20]-2.[c:1]:[c:2](:[c:3])-[Br:7]	1	2795
+[c:1]:[c:2](:[c:3])-[Br:4]>>[Br:4].[c:1]:[c:2](:[c:3])-[N+:5](=[O:6])-[O-:7]	2	2796,2797
+[c:1]:[c:2](:[c:3])-[C:5](-[N:4])-[c:6]>>[c:1]:[c:2]:[c:3].[N:4]-[C:5](-[c:6])=[O:7]	1	2798
+[c:1]:[c:2](:[c:3])-[C:6](-[N:5]-[C:4])-[c:7]>>[c:1]:[c:2]:[c:3].[C:4]-[N:5].[C:6](-[c:7])(=[O:8])-[Cl:9]	1	2799
+[c:1]:[c:2](:[c:3])-[C:6](=[N:5]-[C:4])-[c:7]>>[c:1]:[c:2]:[c:3].[C:4]-[N:5].[C:6](-[c:7])(=[O:8])-[Cl:9]	1	2800
+[c:1]:[c:2](:[c:3])-[C:6]-[C:5]=[C:4]>>[C:4]=[C:5]-[C:6]-[Br:7].[c:1]:[c:2]:[c:3]	1	2801
+[c:1]:[c:2](:[c:3])-[I:4]>>[c:1]:[c:2](:[c:3])-[N+:5](=[O:6])-[O-:7].[I:4]	1	2802
+[c:1]:[c:2](:[c:3])-[N:4]>>[N+:4](-[O-:5])(=[O:6])-[O:7].[c:1]:[c:2]:[c:3]	2	2803,2804
+[c:1]:[c:2](:[c:3])-[N:4]>>[N+:4](=[O:5])(-[O-:6])-[O:7].[c:1]:[c:2]:[c:3]	2	2805,2806
+[c:1]:[c:2](:[c:3])-[N:4]>>[c:1]:[c:2]:[c:3].[N+:4](-[O-:5])(=[O:6])-[O:7]	1	2807
+[c:1]:[c:2](:[c:3])-[N:4]>>[c:1]:[c:2]:[c:3].[N+:4](-[O:5])(-[O-:6])=[O:7]	1	2808
+[c:1]:[c:2](:[n:3]:[c:4](-[Cl:5]):[c:6]):[c:7]>>[Cl:5]-[P:8](=[O:9])(-[Cl:10])-[Cl:11].[c:1]:[c:2](:[n+:3](:[c:4]:[c:6])-[O-:12]):[c:7]	1	2809
+[c:1]:[c:2](:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[c:8]):[c:9]>>[N:5](-[C:6])-[C:7].[c:1]:[c:2](:[n:3]:[c:4](:[c:8])-[O:10]):[c:9]	1	2810
+[c:1]:[c:2](:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]):[c:9]>>[c:1]:[c:2](:[n:3]:[c:4](:[c:8])-[Cl:10]):[c:9].[c:5](:[c:6])(:[c:7])-[Br:11]	1	2811
+[c:1]:[c:2](:[n:3]:[c:4](:[c:5])-[Cl:7]):[c:6]>>[Cl:7]-[P:9](-[Cl:10])(-[Cl:11])=[O:12].[c:1]:[c:2](:[n+:3](:[c:4]:[c:5])-[O-:8]):[c:6]	2	2812,2813
+[c:1]:[c:2](:[n:3]:[c:4](:[c:5])-[O:7]):[c:6]>>[O:7]=[C:9](-[C:10])-[O:11]-[C:12](-[C:13])=[O:14].[c:1]:[c:2](:[n+:3](:[c:4]:[c:5])-[O-:8]):[c:6]	1	2814
+[c:1]:[c:2]-1:[c:3]-[N:4]-[C:5](=[O:6])-[C:7]-[C:8]-1(-[C:9])-[C:10]>>[C:5](=[O:6])(-[C:7]=[C:8](-[C:9])-[C:10])-[Cl:11].[c:1]:[c:2]:[c:3]-[N:4]	1	2815
+[c:1]:[c:2]:1-[C:3](=[O:5])-[C:8](=[O:4])-[N:7]-[c:6]:1>>[C:3](-[O:4])(-[C:8](-[Cl:10])(-[Cl:11])-[Cl:12])-[O:13].[c:1]:[c:2]:[c:6]-[N:7].[O:5]-[N:9]	1	2816
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[O:6]):[n:7]:[n:8]:[c:9]:1-[c:10]>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5](=[O:6])-[O:12])-[Br:13].[N:7]-[N:8].[C:9](-[c:10])(=[O:11])-[N:14](-[O:15]-[C:16])-[C:17]	1	2817
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5]:[n:6]:[n:7]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5])-[N+:7](=[O:8])-[O-:9].[N:6](=[O:10])-[O:11]	1	2818
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]):[n:13]:[c:14]:1-[N:15]>>[C:6](=[O:7])(-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])-[O:17]-[C:18](-[O:19]-[C:20](-[C:21])(-[C:22])-[C:23])=[O:24].[c:1]:[c:2](:[c:3](:[c:4])-[F:16])-[C:14]#[N:15].[N:5]-[N:13]	1	2819
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6]):[c:7](-[c:8]):[n:9]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5]-[C:6])-[N+:9](=[O:10])-[O-:11].[C:7](-[c:8])=[O:12]	1	2820
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[C:7]):[n:8]:1-[C:9]-[C:10]>>[C:9](-[C:10])=[O:12].[c:1]:[c:2](:[c:3](:[c:4])-[N:5]-[C:6](-[C:7])=[O:11])-[N:8]	1	2821
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[S:7]-[C:8]-[c:9](:[n:10]):[c:11]):[n:12]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N:12].[C:8](-[c:9](:[n:10]):[c:11])-[Cl:14].[C:6](=[S:7])=[S:13]	1	2822
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[n:7]:[c:8]:1-[Cl:9]>>[c:1]:[c:2]-1:[c:3](:[c:4])-[N:5]=[C:6]-[N:7](-[C:8]-1=[O:14])-[C:15]-[O:16]-[C:17](-[C:18](-[C:19])(-[C:20])-[C:21])=[O:22].[Cl:9]-[P:11](-[Cl:10])(=[O:12])-[Cl:13]	1	2823
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[n:7]:[c:8]:1-[N:9]-[c:10](:[c:11]):[n:12]>>[c:1]:[c:2]-1:[c:3](:[c:4])-[N:5]=[C:6]-[N:7](-[C:8]-1=[O:13])-[C:14]-[O:15]-[C:16](-[C:17](-[C:18])(-[C:19])-[C:20])=[O:21].[N:9]-[c:10](:[c:11]):[n:12]	1	2824
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[C:7](=[O:8])-[O:10]):[c:9]:1>>[C:6](-[C:7](=[O:8])-[O:10])-[Br:12].[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[C:9]=[O:11]	1	2825
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[C:7]):[n:8]:1>>[O:5]=[C:6](-[C:7])-[O:10].[c:1]:[c:2](:[c:3](:[c:4])-[O:9])-[N:8]	1	2826
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[c:7]):[n:8]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[N:8].[C:6](-[c:7])(=[O:9])-[O:10]	1	2827
+[c:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:1-[C:8]-[c:9]>>[c:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:1-[S:10](=[O:11])(=[O:12])-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2.[C:8](-[c:9])-[Br:19]	1	2828
+[c:1]:[c:2]:1:[c:3](:[s:4]:[c:5](-[c:6]):[n:7]:1):[c:8]>>[C:5](-[c:6])(=[O:30])-[Cl:31].[c:1]:[c:2](:[c:3]:[c:8])-[N:7].[S:4]=[P:10]-1(-[S:11]-[P:12](-[c:13]:2:[c:14]:[c:15]:[c:16](-[O:17]-[C:18]):[c:19]:[c:20]:2)(=[S:21])-[S:22]-1)-[c:23]:3:[c:9]:[c:29]:[c:26](:[c:25]:[c:24]:3)-[O:27]-[C:28]	1	2829
+[c:1]:[c:2]:1:[c:3](:[s:4]:[c:5](-[c:6]):[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:3]:[c:8])-[N:7]-[C:5](-[c:6])=[O:9].[S:4]=[P:10]-1(-[S:11]-[P:12](-[c:13]:2:[c:14]:[c:15]:[c:16](-[O:17]-[C:18]):[c:19]:[c:20]:2)(=[S:21])-[S:22]-1)-[c:23]:3:[c:24]:[c:25]:[c:26](-[O:27]-[C:28]):[c:29]:[c:30]:3	1	2830
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[s:6]:1>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5](:[s:6]:1)-[C:8](=[O:7])-[O:9]-[C:10]	1	2831
+[c:1]:[c:2]:1:[n:3]:[c:4](-[Cl:5]):[c:6]:[c:7]:[c:8]:1:[c:9]>>[Cl:5]-[P:10](=[O:11])(-[Cl:12])-[Cl:13].[c:1]:[c:2]:1-[N+:3](-[C:4](-[C:6]=[C:7]-[c:8]:1:[c:9])=[O:14])-[O-:15]	1	2832
+[c:1]:[c:2]:1:[n:3]:[c:4](-[Cl:5]):[n:6]:[c:7](-[c:8]):[c:9]:1:[c:10]>>[Cl:5]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[C:4](=[O:15])(-[C:17](-[Cl:18])(-[Cl:19])-[Cl:20])-[Cl:21].[N:6].[c:1]:[c:2](-[N:3]):[c:9](-[C:7](-[c:8])=[O:16]):[c:10]	1	2833
+[c:1]:[c:2]:1:[n:3]:[c:4](-[Cl:5]):[n:6]:[c:7](-[c:8]):[c:9]:1:[c:10]>>[Cl:5]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[c:1]:[c:2](-[N:3]-[C:4](=[O:15])-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19]):[c:9](-[C:7](-[c:8])=[O:20]):[c:10].[N:6]	1	2834
+[c:1]:[c:2]:1:[n:3]:[c:4](-[O:5]-[C:6]):[n:7]:[c:8]:1>>[c:1]:[c:2]:1:[n:3]:[c:4]:[n:7]:[c:8]:1.[O:5]-[C:6]	1	2835
+[c:1]:[c:2]:1:[n:3]:[c:4](-[c:5](:[n:6]):[c:7]):[n:8]:[c:9]:1:[c:10]>>[c:1]:[c:2](-[N:3]):[c:9](-[N:8]):[c:10].[C:4](-[c:5](:[n:6]):[c:7])-[O:11]	1	2836
+[c:1]:[c:2]:1:[n:3]:[c:4](:[n:5]:[c:6](-[c:7]):[c:8]:1:[c:9])-[O:10]>>[C:4](=[O:10])(-[C:12](-[Cl:13])(-[Cl:14])-[Cl:15])-[Cl:16].[N:5].[c:1]:[c:2](-[N:3]):[c:8](-[C:6](-[c:7])=[O:11]):[c:9]	1	2837
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1:[c:7]>>[c:1]:[c:2]:1-[N:3](-[C:4]-[C:5]-[c:6]:1:[c:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	2838
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1:[c:7]>>[N:4](-[O:11]-[C:12]-[C:13]-[C:14](-[C:15])-[C:16])=[O:17].[c:1]:[c:2](-[N:3]-[C:9](-[C:8])=[O:10]):[c:6](-[C:5]):[c:7]	1	2839
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[N+:4](=[O:5])-[O-:6]	1	2840
+[c:1]:[c:2]:[n:3]:1:[c:4](:[n:5]:[n:6]:[c:7]:1-[C:8]):[c:9]>>[C:7](-[C:8])(=[O:10])-[Cl:11].[c:1]:[c:2]:[n:3]:[c:4](-[N:5]-[N:6]):[c:9]	1	2841
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]#[N:6]):[c:7]>>[C-:5](#[N:6])~[Cu+:9].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[O:8]	1	2842
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[C:8]-[O:10]):[c:9]>>[C:5](-[F:6])(-[F:7])(-[C:8](=[O:10])-[O:13]-[C:12]-[C:11])-[Br:14].[c:1]:[c:2]:[n:3]:[c:4](:[c:9])-[Br:15]	1	2843
+[c:1]:[c:2]:[n:3]:[c:4](-[F:5]):[c:6]>>[F:5].[c:1]:[c:2]:[n:3]:[c:4](:[c:6])-[O:7]	1	2844
+[c:1]:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[O:8]	1	2845
+[c:1]:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]):[c:7]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[O:8].[N:5]-[C:6]	1	2846
+[c:1]:[c:2]:[n:3]:[c:4](-[O:5]-[C:6]):[c:7]>>[O:5]-[C:6].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[O:8]	1	2847
+[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[Cl:6]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[O:11]-[C:12].[Cl:6]-[P:7](=[O:8])(-[Cl:9])-[Cl:10]	1	2848
+[c:1]:[c:3](-[N:2]):[c:4]>>[N+:2](=[O:5])(-[O-:6])-[O:7].[c:1]:[c:3]:[c:4]	1	2849
+[c:1]:[c:3](:[c:2])-[C:4](-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])=[O:7].[c:1]:[c:3](:[c:2])-[Br:8]	1	2850
+[c:1]:[c:3](:[c:2])-[C:4](=[C:5]-[C:6])-[C:7]>>[C:4](-[C:5]-[C:6])(-[C:7])=[O:8].[c:1]:[c:3](:[c:2])-[Br:9]	1	2851
+[c:1]:[c:3](:[c:2])-[C:4](=[O:5])-[Cl:6]>>[Cl:6]-[C:7](-[C:8](=[O:9])-[Cl:10])=[O:11].[C:4](=[O:5])=[O:12].[c:1]:[c:3](:[c:2])-[Br:13]	1	2852
+[c:1]:[c:3](:[c:2])-[C:4](=[O:5])-[Cl:6]>>[Cl:6]-[C:7](-[C:8](=[O:9])-[Cl:10])=[O:11].[c:1]:[c:3](:[c:2])-[Br:13].[C:4](=[O:5])=[O:12]	1	2853
+[c:1]:[c:3](:[c:2])-[C:4]-[C:5]#[N:6]>>[C:4]=[O:7].[c:1]:[c:3]:[c:2].[C:5]#[N:6]	2	2854,2855
+[c:1]:[c:3](:[c:2])-[C:4]-[O:5]>>[C:4](=[O:5])-[N:6](-[C:7])-[C:8].[c:1]:[c:3]:[c:2]	1	2856
+[c:1]:[c:3](:[c:2])-[N:4]>>[N+:4](=[O:5])(-[O-:6])-[O:7].[c:1]:[c:3]:[c:2]	2	2857,2858
+[c:1]:[c:3](:[c:2])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[B:7](-[O:8])-[O:9].[c:1]:[c:3]:[c:2]	1	2859
+[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[N:6]-[C:7]>>[N:6](-[C:7])=[N+:9]=[N-:10].[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[O:8]	1	2860
+[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[N:6]-[c:7]>>[N+:6](-[c:7])(=[O:9])-[O-:10].[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[O:8]	1	2861
+[c:1]:[c:3]:1:[c:2]:[c:6]:[c:5]:[s:4]:1>>[c:1]:[c:3]:1:[c:2]:[c:6]:[c:5](:[s:4]:1)-[C:8](=[O:7])-[O:9]-[C:10]	1	2862
+[c:1]:[c:4](-[C:3]-[C:2]):[c:5]>>[c:1]:[c:4]:[c:5].[C:2]-[C:3](=[O:6])-[O:7]	2	2863,2864
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]):[c:7]>>[c:1]:[c:4](:[c:3]:[n:2])-[Br:9].[c:5](:[c:6])(:[c:7])-[Br:8]	1	2865
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]):[c:7]>>[c:1]:[c:4]:[c:3]:[n:2].[c:5](:[c:6])(:[c:7])-[B:8](-[O:9])-[O:10]	1	2866
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]):[c:7]>>[c:5](:[c:6])(:[c:7])-[B:8](-[O:9])-[O:10].[c:1]:[c:4]:[c:3]:[n:2]	1	2867
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:10]:[c:7](:[n:5]:1-[C:6])-[O:8]-[c:9]>>[O:8]-[c:9].[c:1]:[c:4]-1:[c:3](:[c:2])-[N:10]-[C:7](-[N:5]-1-[C:6])=[O:11]	1	2868
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:11]:[c:6](:[s:5]:1)-[N:7]-[C:8](=[O:9])-[C:10]>>[C:8](=[O:9])(-[C:10])-[Cl:12].[c:1]:[c:4]:[c:3](:[c:2])-[N:11].[S:5]-[C:6]#[N:7]	1	2869
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:11]:[c:6](:[s:5]:1)-[N:7]-[C:8](=[O:9])-[C:10]>>[C:8](=[O:9])(-[C:10])-[Cl:14].[c:1]:[c:4]:[c:3](:[c:2])-[N+:11](=[O:12])-[O-:13].[S:5]-[C:6]#[N:7]	1	2870
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:13]:[c:6](:[n:5]:1)-[c:7]:2:[n:8]:[n:9]:[c:10](:[c:11]):[c:12]:2>>[c:1]:[c:4](:[c:3](:[c:2])-[N:13])-[N:5].[N:8](=[O:14])-[O:15].[c:6]:1:[c:7]:[c:12]:[c:10](:[n:9]:1):[c:11]	1	2871
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:8]:[c:6](:[s:5]:1)-[N:7]>>[c:1]:[c:4]:[c:3](:[c:2])-[N+:8](=[O:9])-[O-:10].[S:5]-[C:6]#[N:7]	1	2872
+[c:1]:[c:4]:1:[c:3](:[c:2]):[s:7]:[c:6](:[c:5]:1)-[C:9](=[O:8])-[O:10]>>[C:5](=[O:11])-[N:13](-[C:14])-[C:15].[C:6](-[S:7])-[C:9](=[O:8])-[O:10].[c:1]:[c:4]:[c:3](:[c:2])-[F:12]	1	2873
+[c:1]:[c:4]:1:[c:3](:[c:2]):[s:8]:[c:6](:[n:5]:1)-[N:7]>>[c:1]:[c:4](:[c:3]:[c:2])-[N:5]-[C:6](-[N:7]-[C:9](=[O:10])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)=[S:8]	1	2874
+[c:1]:[c:5](-[C:3](-[C:2])-[O:4]):[c:6]>>[c:1]:[c:5]:[c:6].[C:2]-[C:3](=[O:4])-[O:7]	1	2875
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[C:6]#[N:7]>>[C-:6](#[N:7])~[Cu+:8].[c:1]:[c:5]:[n:4]:[c:3]:[c:2]	1	2876
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:9]	1	2877
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]>>[N:6].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:7]	1	2878
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[C:7]#[N:6]	1	2879
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]-[C:7]>>[O:6]-[C:7].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:8]	1	2880
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]-[c:7]>>[O:6](-[c:7])-[C:9].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Cl:8]	1	2881
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]>>[O:6]=[C:7](-[O:8]-[C:9](-[C:10])=[O:11])-[C:12].[c:1]:[c:5]:[n:4]:[c:3]:[c:2]	1	2882
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]>>[O:6]=[C:8](-[O:9]-[C:10](-[C:11])=[O:12])-[C:13].[c:1]:[c:5]:[n+:4](:[c:3]:[c:2])-[O-:7]	1	2883
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[c:6](:[c:7]):[c:8]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Br:9].[c:6](:[c:7])(:[c:8])-[O:10]-[S:11](=[O:12])(=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17]	1	2884
+[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5]:[n:6]:[c:7]:1>>[C:5](=[O:9])-[O:10].[c:1]:[c:8](:[n:4]:[c:3]:[c:2])-[C:7]-[N:6]	1	2885
+[c:1]:[n:7]:[c:4](:[n:3]:[c:2])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:9])-[O-:10].[c:1]:[n:7]:[c:4](:[n:3]:[c:2])-[Cl:8]	1	2886
+[n:1](:[n:2]):[c:4](:[c:3])-[N:5]>>[n:1](:[n:2]):[c:4](:[c:3])-[O:6].[N:5]	1	2887
+[n:1]:1:[c:2](-[C:3]):[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:2](-[C:3])(=[O:9])-[O:10].[N:1]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7]	1	2888
+[n:1]:1:[c:2](-[C:3]):[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[N:1]-[c:6](:[c:5](-[N+:4](=[O:9])-[O-:10]):[c:8]):[c:7].[C:2](-[C:3])(=[O:11])-[O:12]	1	2889
+[n:1]:1:[c:2]:[c:3](-[C:4]#[C:5]):[c:6]:[n:7]:1>>[C:4](#[C:5])-[Si:9](-[C:10])(-[C:11])-[C:12].[n:1]:1:[c:2]:[c:3](:[c:6]:[n:7]:1)-[I:8]	1	2890
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[c:9]:[n:10]:1>>[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:11]-[C:12]-[C:13]):[c:9]:[n:10]:1.[N:6](-[C:7])-[C:8]	1	2891
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:8]):[c:6]:[c:7]:1>>[C:4](=[O:5])(-[C:10](-[F:9])(-[F:11])-[F:12])-[O:13]-[C:14](-[C:15](-[F:16])(-[F:17])-[F:18])=[O:19].[O:8].[n:1]:1:[c:2]:[c:3]:[c:6]:[c:7]:1	1	2892
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[c:6]):[c:7]:[c:9]:1:[n:8]>>[C:4](=[O:5])-[c:6].[n:1]:1:[c:2]:[c:3]:[c:7]:[c:9]:1:[n:8]	1	2893
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[n:5]:[c:6](-[N:7]):[n:8]:[c:9]:[c:10]:2):[c:11]:[n:12]:1>>[n:1]:1:[c:2]:[c:3](-[C:4](-[C:10])=[O:16]):[c:11]:[n:12]:1.[N:5]-[C:6](-[N:7])=[N:8].[C:9](-[N:14](-[C:13])-[C:15])(-[O:17]-[C:18])-[O:19]-[C:20]	1	2894
+[n:1]:1:[c:2]:[c:3]:[c:4](-[c:5]):[n:6]:1>>[N:1]-[N:6].[C:2](-[N:8](-[C:7])-[C:9])(-[O:11]-[C:12])-[O:13]-[C:14].[C:3]-[C:4](-[c:5])=[O:10]	2	2895,2896
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](=[O:6])-[N:7](-[C:8])-[C:9]):[c:10]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](=[O:6])-[O:11]-[C:12]-[C:13]):[c:10]:1.[N:7](-[C:8])-[C:9]	2	2897,2898
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](-[N:6](-[C:7])-[C:8]):[n:9]:[c:10]:[n:11]:[c:12]:1:2>>[N:6](-[C:7])-[C:8].[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](:[n:9]:[c:10]:[n:11]:[c:12]:1:2)-[O:13]	1	2899
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](-[O:6]):[c:7](-[C:8](=[O:9])-[O:10]-[C:14]):[c:11]:[n:12]:[c:13]:1:2>>[C:5](=[O:6])(-[C:7](-[C:8](=[O:9])-[O:18]-[C:19]-[C:20])=[C:11]-[O:10]-[C:14])-[O:17]-[C:16]-[C:15].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:13]:1-[N:12]	1	2900
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:8]>>[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[Sn:9](-[C:10]-[C:11]-[C:12]-[C:13])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:6](:[c:7]):[c:8]	1	2901
+[n:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[N:4].[n:1]:[c:2](-[C:3](=[O:6])-[O:7]):[c:5]	1	2902
+[n:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[Cl:7]):[c:5].[N:4]	1	2903
+[n:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]):[c:5].[N:4]	1	2904
+[n:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[c:5].[N:4]	1	2905
+[n:1]:[c:2](-[C:3](-[N:4])=[O:5]):[c:6]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:7]-[C:8]):[c:6].[N:4]	1	2906
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]):[c:5].[N:4]	1	2907
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[c:5].[N:4]	1	2908
+[n:1]:[c:2](-[C:3](=[O:4])-[Cl:5]):[c:6]>>[Cl:5]-[S:7](=[O:8])-[Cl:9].[n:1]:[c:2](-[C:3](=[O:4])-[O:10]-[C:11]):[c:6]	1	2909
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[c:8]:[s:9]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:10]-[C:11]-[C:12]):[c:8]:[s:9].[N:5](-[C:6])-[C:7]	1	2910
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[n:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]-[C:10]):[c:7]	1	2911
+[n:1]:[c:2](-[C:3](=[O:5])-[Cl:6]):[c:4]>>[Cl:6]-[C:7](-[C:8](-[Cl:9])=[O:10])=[O:14].[n:1]:[c:2](-[C:3](=[O:5])-[O:11]-[C:12]-[C:13]):[c:4]	1	2912
+[n:1]:[c:2](-[C:3]-[C:4]-[C:5](=[O:7])-[O:8]):[c:6]>>[n:1]:[c:2](-[C:3]=[O:9]):[c:6].[C:4](-[C:5](=[O:7])-[O:8])=[P:10](-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)(-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2)-[c:23]:3:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:3	1	2913
+[n:1]:[c:2](-[C:3]-[Cl:4]):[c:5]>>[Cl:4]-[C:6]-[Cl:7].[n:1]:[c:2](-[C:3]=[O:8]):[c:5]	1	2914
+[n:1]:[c:2](-[C:3]-[Cl:4]):[c:5]>>[n:1]:[c:2](-[C:3]):[c:5].[Cl:4]-[C:6]-[Cl:7]	1	2915
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[n:1]:[c:2](-[C:3]):[c:7]	1	2916
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[n:1]:[c:2](-[C:3]-[O:8]):[c:7]	1	2917
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]-[c:7](:[n:8]):[c:9]):[c:10]>>[N:4]-[C:5].[n:1]:[c:2](-[C:3]=[O:11]):[c:10].[C:6](-[c:7](:[n:8]):[c:9])=[O:12]	1	2918
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5]-[C:6])-[C:7]):[n:8]>>[n:1]:[c:2](-[C:3]=[O:9]):[n:8].[N:4]-[C:7].[C:5](-[C:6])=[O:10]	1	2919
+[n:1]:[c:2](-[C:3]-[N:4]-[C:5]):[c:6]>>[N:4]-[C:5].[n:1]:[c:2](-[C:3]-[O:7]):[c:6]	1	2920
+[n:1]:[c:2](-[C:3]-[O:4]):[c:5]>>[n:1]:[c:2](-[C:3](-[O:4]-[C:7])=[O:6]):[c:5]	1	2921
+[n:1]:[c:2](-[C:3]-[O:4]-[c:5]):[c:6]:[o:7]>>[O:4](-[c:5])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[n:1]:[c:2](-[C:3]-[Cl:8]):[c:6]:[o:7]	1	2922
+[n:1]:[c:2](-[C:3]-[O:5]):[c:4]>>[n:1]:[c:2](-[C:3]):[c:4].[O:5]=[Se:6]=[O:7]	1	2923
+[n:1]:[c:2](-[C:3]=[C:4]-1-[C:5](=[O:6])-[N:7]-[c:8]:[c:9]-1):[c:10]>>[n:1]:[c:2](-[C:3]=[O:11]):[c:10].[C:4](-[C:5](=[O:6])-[O:12])-[c:9]:[c:8]-[N+:7](=[O:13])-[O-:14]	1	2924
+[n:1]:[c:2](-[C:3]=[N:4]-[O:5]):[c:6]>>[n:1]:[c:2](-[C:3](=[O:7])-[O:8]-[C:9]-[C:10]):[c:6].[N:4]-[O:5]	1	2925
+[n:1]:[c:2](-[C:3]=[N:4]-[O:5]):[c:6]>>[n:1]:[c:2](-[C:3]-[O:7]):[c:6].[N:4]-[O:5]	1	2926
+[n:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:6]-[C:7]-[C:8]):[c:5]	1	2927
+[n:1]:[c:2](-[C:3]=[O:5]):[c:4]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:6]-[C:7]-[C:8]):[c:4]	1	2928
+[n:1]:[c:2](-[C:3]=[O:5]):[n:4]>>[n:1]:[c:2](-[C:3]-[O:5]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1):[n:4]	1	2929
+[n:1]:[c:2](-[C:3]=[O:6]):[c:4]:[s:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[c:4]:[s:5]	1	2930
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[s:7]>>[n:1]:[c:2](-[N:3]):[s:7].[C:4](=[O:5])(-[C:6])-[O:8]-[C:9]-[C:10]	1	2931
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[s:9]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2](-[N:3]):[s:9].[C:4](=[O:5])(-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:1)-[Cl:17]	1	2932
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[c:7]):[c:8]>>[n:1]:[c:2](-[N:3]):[c:8].[N:6]-[c:7].[C:4](=[O:5])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	2933
+[n:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]):[c:10]>>[N:4]-[c:5](:[c:6](:[c:7])-[N:9]):[c:8].[n:1]:[c:2](-[C:3](=[O:11])-[N:12](-[O:13]-[C:14])-[C:15]):[c:10]	1	2934
+[n:1]:[c:2]:1:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]:[n:9]:[n:10]:1>>[N:6]-[C:7].[n:1]:[c:2]:1:[c:3](-[C:4](=[O:5])-[O:11]-[C:12]-[C:13]):[c:8]:[n:9]:[n:10]:1	2	2935,2936
+[n:1]:[c:2]:1:[c:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:[c:9]:[n:10]:1>>[N:5](-[C:6])-[C:7].[n:1]:[c:2]:1:[c:3]:[c:4](:[n:8]:[c:9]:[n:10]:1)-[O:11]	1	2937
+[n:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:[n:9]:1>>[N:5]-[c:6].[n:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[n:9]:1)-[O:10]	1	2938
+[n:1]:[c:2]:[c:3](-[C:4]#[N:5]):[s:6]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:7])-[O:8]-[C:9]-[C:10]):[s:6].[N:5]	1	2939
+[n:1]:[c:2]:[c:3](-[C:4](=[C:5]-[C:6])-[C:7]):[c:8]>>[C:4](=[C:5]-[C:6])(-[C:7])-[B:9]-1-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14](-[O:15]-1)(-[C:16])-[C:17].[n:1]:[c:2]:[c:3]:[c:8]	1	2940
+[n:1]:[c:2]:[c:3](-[C:4]-[O:5]):[n:6]>>[n:1]:[c:2]:[c:3](-[C:4](-[O:5]-[C:8])=[O:7]):[n:6]	1	2941
+[n:1]:[c:2]:[c:3](-[N:4]):[c:5]>>[N+:4](-[O:6])(-[O-:7])=[O:8].[n:1]:[c:2]:[c:3]:[c:5]	1	2942
+[n:1]:[c:2]:[c:3](-[N:4]-[C:5](=[O:6])-[C:7]):[c:8]:[n:9]>>[n:1]:[c:2]:[c:3](-[N+:4](=[O:10])-[O-:11]):[c:8]:[n:9].[C:5](=[O:6])(-[C:7])-[O:12]	1	2943
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]>>[c:4](:[c:5])(:[c:6])-[B:8]-1-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13](-[O:14]-1)(-[C:15])-[C:16].[n:1]:[c:2]:[c:3]:[c:7]	1	2944
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]>>[c:4](:[c:5])(:[c:6])-[Br:9].[n:1]:[c:2]:[c:3](:[c:7])-[Br:8]	1	2945
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[n:7]:[n:8]>>[c:4](:[c:5])(:[c:6])-[B:9](-[O:10])-[O:11].[n:1]:[c:2]:[c:3]:[n:7]:[n:8]	1	2946
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8]>>[c:4](:[c:5]:[n:6])(:[c:7])-[Br:10].[n:1]:[c:2]:[c:3](:[c:8])-[Br:9]	1	2947
+[n:1]:[c:2]:[c:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1):[c:9]>>[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[I:11].[n:1]:[c:2]:[c:3](:[c:9])-[Br:10]	1	2948
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:9]-[C:10]	1	2949
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:9]-[C:10]-[C:11]	1	2950
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[C:7]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:9]	2	2951,2952
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[C:7]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:9].[N:6]-[C:7]	3	2953,2954,2955
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]>>[N:6]-[c:7](:[n:8]):[c:9].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:10]-[C:11]	1	2956
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:9].[N:6]-[c:7]	2	2957,2958
+[n:1]:[c:2]:[c:3]-[C:4]-[C:5]#[N:6]>>[C:5]#[N:6].[n:1]:[c:2]:[c:3]-[C:4]	2	2959,2960
+[n:1]:[c:2]:[c:3]-[C:4]-[Cl:5]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:9])-[O:10]-[C:11].[Cl:5]-[S:6](=[O:7])-[Cl:8]	1	2961
+[n:1]:[c:2]:[c:3]-[C:4]-[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[O:5]-[C:6])=[O:7]	1	2962
+[n:1]:[c:2]:[c:3]-[C:4]=[N:5]-[O:6]>>[n:1]:[c:2]:[c:3]-[C:4]-[O:7].[N:5]-[O:6]	1	2963
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[O:5]-[C:6])=[O:7]	1	2964
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4]-[O:5]-[C:6]	1	2965
+[n:1]:[c:2]:[c:3]-[N:4]-[C:5]-[C:6]>>[C:5](-[C:6])-[O:7].[n:1]:[c:2]:[c:3]-[N:4]	1	2966
+[n:1]:[c:2]:[c:3]-[N:4]-[S:5](-[C:6])(=[O:7])=[O:8]>>[n:1]:[c:2]:[c:3]-[N+:4](=[O:9])-[O-:10].[S:5](-[C:6])(=[O:7])(=[O:8])-[Cl:11]	2	2967,2968
+[n:1]:[c:2]:[c:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[n:8]:1>>[n:1]:[c:2]:[c:3]-[C:4]#[C:5]-[Si:9](-[C:10])(-[C:11])-[C:12].[N-:6]=[N+:7]=[N:8]-[Si:13](-[C:14])(-[C:15])-[C:16]	1	2969
+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[C:8]):[o:9]:1>>[n:1]:[c:2]:[c:3]-[C:4](=[O:10])-[O:11].[N:5]-[N:6]-[C:7](-[C:8])=[O:9]	1	2970
+[n:1]:[c:2]:[c:5]-[C:3]#[N:4]>>[N:4]-[O:6].[n:1]:[c:2]:[c:5]-[C:3]=[O:7]	1	2971
+[n:1]:[c:2]:[c:5]-[C:3]#[N:4]>>[n:1]:[c:2]:[c:5]-[C:3]=[O:7].[N:4]-[O:6]	1	2972
+[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[N:6]-[c:7]:1:[c:8]:[c:9](:[n:10]):[n:11]:[c:12]:[c:13]:1>>[c:7]:1(:[c:8]:[c:9](:[n:10]):[n:11]:[c:12]:[c:13]:1)-[Br:22].[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[O:14].[N:6]-[C:20](-[O:19]-[C:16](-[C:15])(-[C:17])-[C:18])=[O:21]	1	2973
+[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[N:6]-[c:7]>>[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[O:8].[N:6](-[c:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15]	1	2974
+[n:1]:[c:3](:[c:2])-[C:4]-[O:5]>>[n:1]:[c:3](:[c:2])-[C:4](-[O:5]-[C:7])=[O:6]	1	2975
+[n:1]:[c:3](:[c:2])-[C:4]=[O:5]>>[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[O:6]-[C:7]	1	2976
+[n:1]:[c:3](:[c:2])-[N:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[N:7]-[c:8].[n:1]:[c:3](:[c:2])-[N:4].[C:5](=[O:6])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	2977
+[n:1]:[c:4]:1:[c:3](:[n:2]):[c:9](:[n:8]:[c:6](:[c:5]:1):[c:7])-[N:10]>>[n:1]:[c:4]:1:[c:3](:[n:2]):[c:9]:[n+:8](:[c:6](:[c:5]:1):[c:7])-[O-:11].[N:10]	1	2978
+[n:1]:[c:6]:[c:3](:[n:2])-[C:4]=[O:5]>>[n:1]:[c:6]:[c:3](:[n:2])-[C:4](=[O:5])-[O:7]-[C:8]-[C:9]	1	2979
+[o:1]:[c:2]:[c:10]:[c:4](:[c:3])-[N:5]-[S:6](-[C:7])(=[O:8])=[O:9]>>[N+:5](-[O:12])(-[O-:13])=[O:14].[S:6](-[C:7])(=[O:8])(=[O:9])-[Cl:11].[o:1]:[c:2]:[c:10]:[c:4]:[c:3]	1	2980
+[o:1]:[c:2]:[c:6]:[c:4](:[c:3])-[N:5]>>[N+:5](-[O:7])(-[O-:8])=[O:9].[o:1]:[c:2]:[c:6]:[c:4]:[c:3]	1	2981
+[s:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[n:8]>>[N:5](-[C:6])-[C:7].[s:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[n:8]	2	2982,2983
+[s:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[s:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[c:7]	2	2984,2985
+[s:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[C:6]):[n:7]:[c:8]:[c:9]:1>>[s:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[c:9]:1)-[O:10].[N:5]-[C:6]	1	2986
+[s:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:[n:9]:1>>[N:5]-[c:6].[s:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[n:9]:1)-[O:10]	1	2987
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/assets/composite_policy_data.tsv b/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/assets/composite_policy_data.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..81f05c6d46c8d765d23c0db90244e09eb4bca674
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/assets/composite_policy_data.tsv
@@ -0,0 +1,2989 @@
+product_smiles	rule_id
+c1cc(ccc1CCCOCc2ccccc2)CBr	0
+C[Si](C)(C)OC(CC#C)(CCC)CCCC	1
+c1(nc(-c2nc(CCC)ccc2)nc(c1)C)OCC#C	2
+C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O	3
+c1cc(ccc1C(C)(C)C#C)F	4
+C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O	5
+C1CC1N(C)Cc2c(ccc(C#Cc3ccc(cc3)CC(=O)OC)c2)C(=O)OC(C)C	6
+c1cc(ccc1C#Cc2cc(CCCC#N)c(F)cc2)OC(F)F	6
+c1cc(ccc1Cl)C#Cc2ccc(c(C#N)n2)N	6
+c1cc(ccc1C#Cc2cccc(N)n2)C(OCC)=O	7
+c1cc(ccc1C#Cc2c([N+]([O-])=O)cccn2)CCC(=O)OC	8
+C[Si](C)(C)C#Cc1ccc(cc1)N(CCCC)CCCC	9
+C[Si](C)(C)C#Cc1cc(OC(C)c2c(ccc(F)c2Cl)Cl)c(nc1)N	10
+C1CC1C(c2ccc(cc2)Cl)=C(C=O)F	11
+FC(F)(F)C(F)(F)CCNC(C(C)(F)C(NC1C(N(c2c(-c3c1cccc3)cccc2)CC4CC4)=O)=O)=O	12
+c1ncncc1Cn2nc(-c3nc(c(nn3)C(C)(C)C(=O)OC)O)c4cc(cnc24)F	13
+O=C(OCC)C(C(=O)OCC)C(=O)c1cc(F)c(cc1Br)F	14
+CC(C)(C)OC(N1CC2(C1)CC(C2)OS(=O)(=O)C)=O	15
+C1N(CC1C(Nc2ccccc2N)=O)c3cc(nc(C)n3)-n4nc(nc4C)C	16
+C1(Cl)CCOc2cc(ccc12)F	17
+O=S(=O)(c1ccc2c(CCCC2Cl)c1)c3ccccc3	17
+CC(C)(C)OC(N1CC(CC1)NC(=O)COCCBr)=O	18
+c1cc(ccc1C#N)CCCBr	19
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=O)(=NCCBr)C	19
+N1(C(=O)C)c2cc(C)cc(C)c2C(C1)CCBr	20
+O=C1Nc2c(cccc2)C(C1)CCCl	21
+O=C1Nc2c(cccc2)C(C1)CCCl	22
+CC(C)(C)OC(=O)N1CC(c2ccccc2)CC1COC	23
+CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2	24
+CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2	25
+CC(C)(CO)c1ccc(cc1)F	25
+O=C1Nc2c(cccc2)C(CCO)C1	25
+C1CC(CCC1)=CCCCCCO	26
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCO)C3=O	26
+c1(CCO)ccc([N+]([O-])=O)cc1Cl	26
+C(O)CC1n2c(cc(I)c2)C(NC1)=O	27
+c1cc(ccc1)C(c2ccccc2)CO	28
+c1cnccc1N2CCC(CC2)CO	28
+O=S(=O)(OCCC1n2cc(I)cc2C(=O)NC1)C	29
+CC(C)(C)OC(N1CC(c2ccccc2)CC1COS(=O)(=O)C)=O	30
+C1CC(CCC1COS(=O)(=O)C)C(OCCCC)=O	31
+c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C	32
+c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C	33
+O=S(=O)(C)OCC(c1ccc(Cl)c(c1)Cl)CCOC2OCCCC2	34
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(CCOS(=O)(=O)C)nc4	35
+O=S(=O)(C)OCCCc1ccc(cc1)Br	36
+C(=O)Cc1ccc([N+]([O-])=O)cc1Cl	37
+FC(F)(F)c1ccc(cc1)CCC=O	37
+c1cc(ccc1F)C(C)(C)C=O	38
+C(=O)Cc1ccc([N+]([O-])=O)cc1Cl	39
+CC(C)(C)OC(=O)NCC(C=O)C	40
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C=O	41
+c1cc(ccc1F)C(C)(C)C=O	42
+c1ccccc1[Si](c2ccccc2)(N3C(=O)CC3C=O)C(C)(C)C	43
+c1cc(ccc1C2C(C2)CCO)Br	44
+c1cc(ccc1C2C(C2)CCO)Br	45
+c1cc(ccc1CCC(OCC)=O)C#N	46
+c1cc(ccc1C#N)CCCO	47
+c1cc(ccc1N2C(=O)C(COS(=O)(=O)C)CC2)Cl	48
+c1cc(ccc1Cl)Oc2cc(CCC)c(C(=O)COc3ccc(cc3)OC)cc2	49
+c1(C=CCO)c(cccc1)Br	50
+CC(C)(C)c1nnc(NC(N(C(C)C=O)C)=O)s1	51
+C1CN(CCC1N2C(C(CC2)Oc3cc(F)c(S(=O)(=O)C)cc3F)=O)C#N	52
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)OCc4cc5c(OCO5)cc4)=O)=O	53
+N(C(C)=O)C1C(=O)NC(C(NC(CC(C)CCCCCCC1)C(O)CC(C)C(NCCCC)=O)=O)C	54
+C1CC(CCN1OC)(C(OC)=O)NC(=O)Cc2c(C)cc(F)c(c2)Br	55
+C(C)C(CC)(C(NC)=O)NC(=O)c1ccc(OC)c(-c2cc(ccc2)Cl)n1	56
+CC(C)(C)C(NC(c1ccc(cc1)-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)=O)C(=O)OC(C)(C)C	57
+CC(C)(C)OC(NC1CCC2CN(CC12)Cc3ccccc3)=O	58
+CC(C)(C)OC(NCC(c1cc2cc[nH]c2cc1)c3ccccc3)=O	59
+C1CC(CCN1CC(O)COc2nccnc2Cl)N3CCN(c4ccccc4)C3=O	60
+c1ccccc1Oc2cnc(cc2)CO	61
+C1C(C(c2ccc(cc2Cl)F)O)C1C#N	62
+C1C(C(c2ccc(cc2Cl)F)O)C1C#N	63
+N#CC1CC1C(c2ccc(cc2Cl)F)=O	64
+c1cc(ccc1)C(Cc2cc(ccc2)C)=O	65
+c1cc(ccc1)C(=O)c2c(N)ccc(c2)F	66
+c1cc(ccc1CO)CCCOCc2ccccc2	67
+O=S(=O)(c1ccc(cc1)Br)n2c3ccccc3cc2C=O	68
+[nH]1c(C=O)cc2c1cccc2	68
+C1(N2C(CCC2)c3n(-c4ccccc14)cnc3C=O)=O	69
+COc1c(cc(cc1)C(=O)c2ccc(c(c2)OCC)OC)[N+](=O)[O-]	70
+CC(C)(C)C(=O)Oc1cccc(CBr)c1	71
+Clc1cnc(Oc2cccc(CBr)c2)cc1	71
+O=S(=O)(c1ccc(c(c1)Cl)CBr)C	72
+c1c(Cl)c(c(cc1OCc2ccccc2)Cl)CBr	72
+[N+](c1cc(CBr)cc(Br)c1)([O-])=O	73
+C(c1cc2c(cc1)cc(F)cc2)Br	74
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CBr	75
+CC(C)N1C(c2cc(ccc2C(=N1)Br)CBr)=O	76
+c1(OC)cc(CBr)cc(Br)c1	77
+C1CC1c2cccc(c2CCl)F	78
+COc1cc2c(ccnc2cc1)CCl	79
+FC1(F)Oc2c(ccc(CCl)c2)O1	80
+FC(F)(F)c1cc(ccc1CC2CCCCC2)CCl	81
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3nc(cs3)C=4CC(ON=4)c5c(CCl)cccc5	82
+O=S(=O)(c1c(CO)ccc(Br)c1)C	83
+c12c(cc(CO)c(c1)OC)cc(cc2)Br	83
+c1c(ccc([N+]([O-])=O)c1CO)C(=O)OC	84
+c1c(cc(C)c2Cc3c(cccc3C)-c12)C	85
+Clc1ccc(c(C=O)c1)Sc2cccs2	86
+c1c(C=O)cc2cc(c(OC)c(c2c1)OC)OC	86
+c12c(cc(c(c1)OC)C=O)cc(cc2)Br	87
+O=Cc1ccc([N+]([O-])=O)cc1F	88
+c1(C=O)cc2nn[nH]c2cc1	89
+c1cc(ccc1C=O)-c2cnco2	89
+c1ccccc1CCCCC#Cc2ccc(C=O)cc2F	90
+O=Cc1cc(ccc1[N+]([O-])=O)C(=O)OC	91
+c12c(cc(c(c1)OC)C=O)cc(cc2)Br	92
+O=Cc1cc(ccc1[N+]([O-])=O)C(=O)OC	93
+FC(F)(F)c1ccc(cc1)-c2n(C)c(c(n2)C=O)C	94
+c1cc(ccc1F)-c2c(CCl)c(nc(C(C)C)c2C(OCC)=O)C(C)C	95
+c1(CCl)cccnc1N2CC(CC2)F	96
+c1ccccc1C(O)c2cc(C(=O)C=CN(C)C)ccc2F	97
+C(OCCCl)CC(Cl)=O	98
+FC(F)(c1ccccc1)CNc2c(F)c(c(cc2)Cl)CC(=O)O	99
+c1(N2C(CC(C(OC)=O)C2)=O)ccc(c(C)c1)O	100
+c1c(c(cc(c1)NC(CC(OC)=O)=O)F)OCc2cccc(F)c2	101
+c1ccccc1COC(=O)NC2C(CC(=O)CC2)NC(OCc3ccccc3)=O	102
+CC(C)(C)OC(=O)COCc1cc(ccn1)C(F)(F)F	103
+c1cc(ccc1)OC(=O)Nc2cc3CCCc3nc2	104
+C1CCCC1n2c(cc3c2nc(Cl)nc3)C(O)=O	105
+O=S(=O)(c1ccccc1)Nc2c(scc2)C(=O)Cl	106
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(Cl)=O)s3	106
+c1cc(c(c(C(Cl)=O)c1OC)F)OC	107
+c1ccccc1CCN2C3CC(CC2CC3)=C(c4ccccc4)c5ccc(cc5)C(Cl)=O	108
+c1ccccc1COc2cc(OCc3ccccc3)c(C(Cl)=O)cc2Br	109
+FC(F)Oc1c(F)c(C(=O)Cl)cc(c1F)F	110
+c1cc(ccc1C2CCCCC2)C(N3c4c(cccc4)Cn5c(C(=O)O)ccc5C3)=O	111
+[nH]1cc(c2ccc([N+]([O-])=O)cc12)C(=O)O	112
+c1cc(ccc1)COc2c(C(C)C)cc(-c3onc(c3)C(=O)OCC)c(OCc4ccccc4)c2	113
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)N(OC)C	114
+C1CN(CCN1CC(=O)c2cc(OC)c(cc2)OC)C=3C(=O)C=CC=CC=3	115
+c1ccccc1COC(c2cc(ccc2N)C#N)=O	116
+c1cc(ccc1C=CC(OCCCCCCCl)=O)OC(c2ccc(cc2)OCCOC)=O	117
+c1cc(ccc1F)Sc2c(C=O)c(ccc2)F	118
+FC(F)(F)COc1ccc(cc1)N=C=S	119
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)N=C=S)Cl	119
+C1CN(CCC12OC2)c3ncnc(Cl)c3	120
+C1COC(O1)(C2OCC(N(Cc3ccccc3)C2)=O)C	121
+C1CN(CCC12C(=C(c3c(C)cc(F)c(c3)Br)C(=O)N2)O)OC	122
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCO	123
+CC(C)(C)OC(=O)N1CC(CC(C#N)C1)N(CC(C)C)C(c2nc3ccccc3n2CCCCOC)=O	124
+CC(C)(C)C(=O)N(C1CC(C#N)N(C(OC(C)(C)C)=O)C1)C2CCC(CC2)C	125
+CC(C)(C)OC(=O)C1C2(CCC(CC2)(CN)C1)C#N	125
+CC(C)(C)OC(=O)N1CC(CC(C#N)C1)N(CC(C)C)C(c2nc3ccccc3n2CCCCOC)=O	125
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)C#N	125
+c1cc(ccc1C2N(C(CC)CC)C(=O)C(CC#N)(CC2c3cccc(Cl)c3)C)Cl	126
+c1cc(ccc1CC(NC(=O)CCCCCCc2ccccc2)CCC#N)OCc3ccccc3	126
+c1cc(ccc1CC(NC(=O)CCCCCCc2ccccc2)CCC#N)OCc3ccccc3	127
+CCC=CCCC(CCC=CCC)C#N	128
+CC(C)(C)OC(C1(CCOCC1)CN2CCC(CC2)C#N)=O	129
+CN(C)C(N1CC2C(CC(C2)C#N)C1)=O	130
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)C#N	131
+c1cc(ccc1C(C(C)(C)N2CCOCC2)=O)N3CCCCC3	132
+c1cc(ccc1C(C(C)(C)N2CCOCC2)=O)N3CCCCC3	133
+CC(C)(C)OC(=O)N1C(CC2(CC2)C1)CO	134
+CC(C)(C)OC(N1CC(C(c2ccc(c(c2)Cl)Cl)C1)C(OC)=O)=O	134
+CC(C)(C)OC(N1CCC2C(c3c(scc3)C2)C1)=O	134
+CC(C)(C)OC(N1Cc2c(cccc2C1)C#N)=O	134
+CC(C)(C)OC(N1CC(F)(F)C(O)CC1)=O	135
+CC(C)(C)OC(=O)N1CCc2sccc2CC1	136
+CC(C)(C)OC(=O)N1CCC2(N(Cc3ccccc3)CCC2)C1	137
+CC(C)(C)OC(=O)N(CCc1ccc([N+](=O)[O-])cc1Cl)Cc2ccc(cc2)F	138
+CC(C)(C)OC(N1CC(c2ccc(cc2)N)SCC1)=O	139
+CC(C)(C)OC(=O)N1C(C)(C)CN(C2(CCCC2)C1)Cc3ccccc3	140
+CC(C)(C)OC(=O)N1CC(C)(C)c2cnc(Cl)cc12	141
+CC(C)(C)OC(=O)N(C1CC1)Cc2cc(Br)ccc2Cl	142
+CC(C)(C)OC(=O)N(C1CC1)Cc2cc(Br)ccc2Cl	143
+CC(C)(C)OC(=O)N(c1ccc(cc1)S(=O)(=O)C)C2CCNC2	144
+CC(C)(C)OC(=O)NCCC1CN(CC1)Cc2ccccc2	145
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CNC(OC(C)(C)C)=O	145
+CC(C)(C)OC(NCCC1(CCN(CC1)Cc2ccccc2)O)=O	146
+CC(C)(C)OC(NC(CC(=O)OCC)Cc1c(F)ccc(F)c1)=O	147
+CC(C)(C)OC(=O)Nc1ccc(nc1)CC(OCC)=O	148
+CC(C)(C)OC(Nc1c(OCc2ccccc2)cccc1F)=O	149
+CN(C)C(CN)(C)CCCC	150
+CN(C)C(C)(CCCC)CNC(=O)c1ccc(c(Cl)c1)Cl	151
+c1ccccc1CCC(C)CC(=O)OCC	152
+CC(C)(C)OC(=O)N(Cc1c([N+](=O)[O-])cccc1)C(C)C	153
+c1ccccc1OCCC(N(C)C)C	154
+c1cc(ccc1C(C)=O)CC(NCC(O)c2ccccc2)C	155
+CC(C)Nc1c(Nc2ccccc2)nccc1	156
+C(C)C(CC)Nc1c(nccc1)N2CCN(CC2)C(OCc3ccccc3)=O	157
+C=1(C(=O)NC(=O)C=1c2cc(NC(CCO)C)ccc2)c3c4ccccc4n(C)c3	158
+[N-]=[N+]=NC(C)CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C	159
+C(CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C)(C)N	160
+C(CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C)(C)N	161
+FC(F)(F)c1cc(Cl)c(nc1)-c2ccc(Cl)c(OC(C)C)c2	162
+CC(C)(C)[Si](C)(C)OCC1Cc2ccc3c(c2O1)CCC3	163
+CC(C)(C)OC(NC(CCC(SC(C)=O)CNC(=O)OCc1ccc(cc1)[N+](=O)[O-])C(OC)=O)=O	164
+c1cc(ccc1)CN2CC3C(CC(C2)C3)=O	165
+c1cc(ccc1C(C)=O)CC(C)=O	165
+C[Si](C)(C)OC(CC#C)(C(F)F)CCCC	166
+CC(C)(C)OC(N1CC(F)(F)C(CCO)CC1)=O	167
+C1CC(CCN1OC)CCO	168
+CC1(C)CCOc2cc(C(CCCCC)CO)ccc12	169
+FC(F)(F)c1ccc(Cl)cc1CC2C(=O)c3cc(c(N4CCOCC4)cc3C2)OC	170
+C1CN(CCC1C=O)OC	171
+C1CC(CCN1C(OCC)=O)N2CCC3(CC2)CC=C(C(N(C)C)=O)c4c3cccc4	172
+FC(F)(F)c1cc(ccc1)N2CCN(CCC2)C3CCC(CC3)c4c5ccc(cc5[nH]c4)F	172
+FC(F)(F)c1cc(ccc1)N2CCN(CCC2)C3CCC(CC3)c4c5ccc(cc5[nH]c4)F	173
+C1CC(CCN1c2ccc([N+](=O)[O-])c(OC)c2)N3CC(CCC3)O	174
+C1CCCCCN1C(=O)CC2CCCc3n(ncc23)-c4ccccc4	175
+C1CCCN1C(=O)Cc2ccc([N+](=O)[O-])c(c2)OC	175
+CC(C)(C(N1CCCC1)=O)Sc2cc3sc(N)nc3cc2	175
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(=O)N2CCOCC2)n1	175
+C1C(CC1N)(c2ncccc2)C#N	176
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N	176
+CC(C)(C)OC(=O)N1CC(N)CC1C(OC(C)(C)C)=O	176
+C1C(CC1N)(c2ncccc2)C#N	177
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N	177
+CC(C)(C)OC(=O)N1CC(N)CC1C(OC(C)(C)C)=O	177
+C1(CCCN(C(=O)OCC)CC1)N	178
+C1CC(CC(C1)N)c2ccc(OCOC)cc2OCOC	179
+Clc1ccc(N2CCC(C2)C(C)N)c([N+]([O-])=O)c1	180
+c1cc(ccc1)CN2CC(C(CC2)C(C)N)c3ccc(cc3)Cl	181
+C1CN(CCC1N)Cc2ccc(cc2)C	182
+C1CC(c2cccc(C)c12)N	183
+NC(CCC=C)c1ccccc1OC	183
+c1(c(C(CCC2CCN(CCSc3c(ccc(F)c3)F)CC2CC(=O)OC)N)c4cc(ccc4nc1)OC)F	184
+c1(cc(F)c(cc1)F)C(N)C(C)O	185
+c1cc(ccc1NS(=O)(=O)C)C(N)C	185
+C1C(CC(N)=O)CC(C)CC1	186
+CC(C)(C)OC(=O)NC(CC(C)C)C(N1C(CC)CCC1C(N)=O)=O	186
+FC(F)(F)C1(c2ccccc2-c3c(cc(cc13)OCC(C)O)-c4cn(C(C)(C)C(N)=O)nc4)O	186
+C12CC(CC(CCC1)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O)C(N)=O	187
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cn2)Nc3nc(c(cn3)C)CCc4ccccc4CC(=O)N	187
+CC(C)(C)OC(=O)Nc1cc(CCC(=O)N)ccn1	187
+CC(C)(C)OC(N1CC(C(=O)N)CC(N(C(c2n(c3c(cccc3)n2)CCCCOC)=O)CC(C)C)C1)=O	187
+CC(C)(CCC)C(N)=O	188
+c1cc(ccc1CC(CCC(N)=O)NC(=O)CCCCCCc2ccccc2)OCc3ccccc3	189
+c1cc(ccc1Cn2c3ccc(OC)cc3c(CC(C)CC(N)=O)c2C)Br	190
+c1cc(ccc1)COc2cc(ccc2Cc3ccc(cc3)CC)CC(=O)N	191
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=S)N	192
+CC(C)(C)OC(=O)Nc1nccc(CCC(=S)N)c1	193
+c1cc(ccc1Cn2c(c(CC(C)CC(=S)N)c3c2ccc(OC)c3)C)Br	194
+CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O	195
+C1CC(CCC1C(NCc2c(O)nc(nn2)N)=O)C(=O)OC	196
+C1CN2CCC1C(NC(Cc3cc4ccccc4n3C)=O)C2	197
+C1CC(CCC1C(NCC)=O)CC(=O)OCC	198
+c1cc(ccc1C#N)C(NNC(=O)C(Nc2cc(c(C#N)cc2)Cl)C(C)O)=O	199
+c1cc(ccc1C#N)C(=O)NNC(=O)C(C(O)C)Nc2ccc(c3ccccc23)C#N	200
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3	201
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3	202
+CC1(C)c2c(C(C1)NS(=O)(=O)C)cccc2	203
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(cc(C#N)cc2)Oc3c(Br)cccc3	204
+C1CCC(C1)Oc2cc(CC(=O)Nc3c(O)c([N+](=O)[O-])ccc3)ccc2OC	205
+CC(Nc1c(Cl)nn(-c2cccnc2)c1)=O	206
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1Cc2c(C)[nH]c3c2cccc3	207
+CC(C)(C)OC(N1CC(CC1C(=O)Nc2ccc(cc2)N3C(=O)COCC3)N=[N+]=[N-])=O	207
+C1C(CC1N=[N+]=[N-])(c2ncccc2)C#N	208
+C1COCCC1C(N=[N+]=[N-])C	208
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1C(=O)OC	208
+CC(C)(C)OC(C1N(C(=O)OC(C)(C)C)CC(C1)N=[N+]=[N-])=O	208
+c1cc(ccc1Cl)C2(O)CN(Cc3cc(ccc3)OC)CC2	209
+FC(F)(F)C(CC1(C)c2cc(SC)ccc2OCC1)O	210
+C1CC(CCC1CCCCC)c2cc(c(cc2)C3CCC(CC3)C4CCC(CC4)O)F	211
+CC(C)(C)OC(=O)NCCCCCC(C)O	212
+CC(C)(C)OC(NC(CCc1ccc(cc1)Br)C(C)O)=O	212
+FC(F)(F)CC(C(NS(=O)(=O)c1sc(cc1)Cl)C(O)C)C	212
+CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O	213
+CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O	214
+CC1(C)C(n2cncc2C(O)C)c3c(C(=O)O1)cccc3	215
+C1(c2cc(OC)c(cc2)OC)CC(CCC1[N+](=O)[O-])OC(=O)C	216
+CC(C)(C)OC(=O)NC1CCC(OS(=O)(=O)C)C1	217
+O=S(=O)(OC(C1C(C)(C)C1C(OCC)=O)C(Cl)Cl)c2ccc(cc2)C	218
+CC(C)N1CC(Oc2ccc(Cl)cc2Br)CC1	219
+FC(F)(F)c1cc(C2CCN(CC2)C(=O)OC(C)(C)C)c(cc1)Sc3ccc(cc3)Cl	220
+O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3	220
+c1ccccc1C(C2CC(N(C2)C(c3ccccc3)C)=O)O	221
+c1cc(c2c(c1)C(=O)C(C)C2)-c3ccccn3	222
+C1CC(CCC1CCCCC)c2cccc(F)c2F	223
+C1CC(CCC1c2c(F)cc(cc2)Br)CCC	223
+O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3	223
+c1(C(CCCC)N)cc(c(OC)cc1)OC	224
+C1CC(CCN1C)c2c3c(cc4c(N(CC4)C(C)=O)c3)[nH]c2	225
+c1cc(ccc1)-c2c(c3c([nH]2)cccc3)C4CCNCC4	225
+Brc1ncc(c(C(=O)C)c1)F	226
+FC(F)(F)c1cc(N2C(C)=C(C(c3ccc(cc3[N+]([O-])=O)C#N)NC2=O)C#N)ccc1	227
+Clc1cc(c(C2CC(=O)NC(=C2C(Nc3cc(Cl)c4n[nH]cc4c3)=O)C)cc1)F	228
+C1CN(CCO1)CC=C(C[N+](=O)[O-])C	229
+CC(C)CC(=CCCC(CC)=CCOc1cc2c(OCO2)cc1)C	230
+c1ccccc1C(C)=NNC(c2c(c(ccc2)[N+]([O-])=O)O)=O	231
+C(C(=NO)c1c(F)cnc2ccc(OC)cc12)CC3CCN(CCSc4c(ccc(F)c4)F)CC3CC(=O)OC	232
+FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C	233
+FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C	234
+CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br	235
+CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br	236
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOC(C(C(=O)C)=Cc4cc([N+](=O)[O-])ccc4)=O	237
+C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4	238
+C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4	239
+CC(C)(CF)C(COc1ccc(Cl)cc1Cl)=O	240
+c1cc(ccc1OCC(C(CF)(CF)C)=O)Cl	240
+C(CN1C(=O)CCCC1C=CC(=O)CCCCC)#CCCCC(OC)=O	241
+C1COCCC1CC(c2cc(n(C)n2)SC)C(C=C)=O	242
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O	243
+CC(C)CCCC(CC(C)=O)C	244
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O	244
+CC(C)(C)c1c(O)c(c(c(C)c1)CC(=O)Cl)C	245
+c1cc(ccc1COC(CC(=O)Cl)CCCCCCCCCCC)OC	246
+c1cc(ccc1C=2C(N(C3(CCCCC3)N=2)CC(=O)Cl)=O)C	247
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(n2)CCC(Cl)=O)Cl)OC	248
+c1cc(Cl)c(c(Cl)c1OC(C)C(Cl)=O)C	249
+c1cc(ccc1CCC)OC(C)C(Cl)=O	249
+FC(F)(F)c1cc(C(C(c2cc(F)ncc2)N(C(=O)C)C3CCCC3)O)ccc1	250
+c1cc(ccc1-c2ccccc2)C(N(C(=O)CN3C(=O)Oc4c3cc(c(C)c4)OC)C)CN5CCOCC5	251
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(O)cc4c(C(=O)C)c3	252
+CC(C)(C)OC(C1N(C(=O)C2N(C(C(NC(CSCCCCCCC)C(=O)OCC)C)=O)CCC2)CCC1)=O	253
+OC1C(O)CN(C1)C(=O)CNC(=O)c2[nH]c3ccc(Cl)cc3c2	254
+C1CC(CCN1C(C)=O)CC(NC(=O)C2CCCCC2NC(c3n(C)c4ccccc4c3)=O)C#N	255
+O=S(=O)(c1nc2CCN(C(C)=O)Cc2c(n1)-c3c(Cl)cc(Cl)cc3)C	255
+c1cc(ccc1OCCC2CCCCN2C(C)=O)-c3[nH]c4cc(ccc4n3)C(N)=O	255
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(N2CCN(CC2)C(OC(C)(C)C)=O)=O	256
+CC(C)(C)C(C(=O)N1C2C(c3c4ccc(cc4[nH]c3)F)CN(C2CC1)C5CCCC5)NC(OC(C)(C)C)=O	257
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C	257
+CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)C(CN2C(c3c(cccc3)S2)=O)=O	257
+CC(C)(C)OC(=O)NCC1CCCCN1C(CCCCCCCCCCCC)=O	258
+C1CN(CCC1Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2)C(C)=O	259
+C1N(CC1Nc2cncc(N3C(c4c(cc(cc4)Cl)C3(C)C)=O)c2)C(C)=O	259
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(n3)C#Cc4c5c(ccc4)cccc5)n1)C	260
+c1cc(ccc1-c2nn(C3CCCN(C(CC#N)=O)C3)c4c2c(ncn4)N)Oc5c(cccc5)F	260
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CN(CCC4)C(CC#N)=O)Oc5c(ccc(F)c5)F	260
+CC(C)(C)NC(=O)C1(CCN(CC1)C(C2C(CC(=C)C2)c3ccc(F)cc3F)=O)C4CCCCC4	261
+CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C)C2CCC(CC2)N(C)C(=O)C)=O	262
+Clc1cc(cc(Cl)c1C(C(N2CCCC2)=O)c3ccc(cc3)Cl)N4N=CC(NC4=O)=O	263
+c1cc(ccc1OC(C(N(C(C)C)Cc2nc(-c3cccnc3)no2)=O)C)CCC	263
+C1COCCN1C(=O)C2N(C(CN(C2)S(=O)(=O)c3ccc4c([nH]cc4Cl)c3)=O)CC5CCN(CC5)C=6C=CC(=O)N(C)N=6	264
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C	264
+C1CN(CCN1C(C(NC(N(CCC2CCCCC2)CCSC(=O)C)=O)C)=O)C	265
+C1CN(CCN1C(C2CCN(CC2)c3c(cncc3F)NC(c4c5n(cc(F)cn5)nc4N)=O)=O)C6COC6	265
+C1CC2CCC1N2C(C(C)(C)c3ccc4[nH]c(-c5cc(C)cc(C)c5)c(C(C)CNC(=O)OC(C)(C)C)c4c3)=O	266
+C1COCCN1C(=O)CN2N=Nc3c(C(=O)N)ncn3C2=O	266
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)C(OCC)=O)=O)c4c(cccc4)Br	266
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(=O)N6CC(C6)C(=O)OC)CCC3)n2	266
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)N(OC)C	267
+CC(C)(C)OC(=O)N1CCC(CC1)CN(c2cccc(Cl)c2)C(CC)=O	268
+c1cc(ccc1CC(C)NC(=O)C)Br	269
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O	270
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O	271
+C1C(CC(NCC(N)=O)=O)CC(C)CC1	272
+CC(C)(C)OC(N1CCCCC1C(=O)NC(Cc2cnc(cc2)Br)C(=O)N)=O	273
+CC(C)(C)OC(NC(C1CCCCC1)C(=O)NC(C(=O)N)Cc2cnccc2)=O	273
+CN(C)C(=O)C(Cc1ccc(cc1)-c2ccccc2)NC(=O)C3(CCCC3)CC(=C)Cl	274
+O=S(=O)(C)CCC(Cc1cccc(C#N)c1)(C(=O)NCC(NCc2sc(C#N)cc2)=O)NC(=O)OC	274
+c1cccc2-c3ccccc3C(c12)COC(=O)NCC(=O)NC(Cc4ccccc4)C(NCC(=O)O)=O	275
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C(=O)NC(CCCNC(=O)N)C(=O)O	276
+CC(C)(C)OC(C(C1C(CC)CCN1)N2CCCC2C(=O)NC(CCSC)C(=O)OC)=O	277
+CC(C)CC(C(=O)NC(C(OC)=O)CCC(NCCCN=[N+]=[N-])=O)NC(C(NC(=O)OCc1ccccc1)CC#C)=O	277
+c1cc(ccc1CN2CCN(CC2)c3ncccn3)CNC(CC)=O	278
+CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O	279
+C1CC(CCN1C2CC3(C2)CN(C(=O)OCC)CC3)C(=O)NC4(CCC4)C	280
+CC(C)CC(c1csc(n1)-c2ccccc2)C(=O)NCC#N	280
+C1CN(CCC1OC(=O)NC2(CCCCC2)C(=O)NC(C(C(NC3CCCCNC3=O)=O)O)C(C)C)C(OC)=O	281
+CC(C)(C)OC(=O)NCC(N1CCC(CC1)(C(=O)NCc2c(cccn2)C)CO)=O	282
+c1cccc2[nH]cc(CNC(C3N(C(=O)C(C)N4Cc5ccccc5C4=O)CC(O)C3)=O)c12	282
+C1CN(CCC1OC(=O)NC2(CCCCC2)C(=O)NC(C(C(NC3CCCCNC3=O)=O)O)C(C)C)C(OC)=O	283
+C1N(c2nc3c(ncnc3cc2)N)CCCC1NC(=O)CCOC	283
+c1cc(ccc1C(NC2(CC2)C(NC3c4n(-c5c(cccc5)CC3)ccn4)=O)=O)F	284
+CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O	285
+c1cc(ccc1)COC(=O)CC2(CCCC2)C(NC(c3nnn[nH]3)Cc4ccc(cc4)-c5cc(Cl)ccc5)=O	286
+c1cc(ccc1C#N)CCNC(Cn2cnc3N(C(N(C)C(c23)=O)=O)C)=O	286
+c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2	286
+C1CN(CCC1Nc2ccc(N3CC(CNC(=O)C)OC3=O)cc2F)C(=O)OCc4ccccc4	287
+C1CC(CCC1)NC(C2(CC2)c3c(F)cc(cc3)Br)=O	288
+C(C)C(CC)CNC(=O)CN1C=CC=C(NC(=O)OCc2ccccc2)C1=O	289
+CC(C)(C)OC(NCCOCCOCCNC(=O)COc1c(OC)cc(C=CC(=O)OC)cc1)=O	289
+O=S(=O)(NCCC(=O)NC(c1cncn1C)(C)c2ccc(c(F)c2)C#N)c3cc(OC)ccc3	290
+c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2	290
+c1cc(ccc1F)-c2oc(C)c(CC(NCC3CN(C(c4cc(Cl)c(Cl)cc4)=O)CCO3)=O)n2	290
+n1c(n(Cc2c(F)cccc2Cl)c3C(N(C(=O)N(c13)C)C)=O)N4CCCC(C(NCCO)=O)C4	290
+c1ccccc1-n2nc(cc2OCC(=O)N3C(CCC3)C(NCCF)=O)C(OCC)=O	291
+C1CCCCC1CNC(=O)NNC(CCN2CCN(CC2)c3ccccc3OC)=O	292
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)NC(=O)C4C(C(=O)NO)CC5(CC5)CN4C	293
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C	294
+c1cc(ccc1)C=2C=CN(CCC(C)(S(=O)(=O)C)C(NO)=O)C(=O)C=2C	294
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C	295
+c1cc(ccc1)C=2C=CN(CCC(C)(S(=O)(=O)C)C(NO)=O)C(=O)C=2C	295
+C1CC1C#Cc2cc(no2)CCC(S(=O)(=O)C)(C)C(NOC3CCCCO3)=O	296
+c1cc(ccc1)C=2C=CN(C(=O)C=2C)CCC(C)(C(NOC3CCCCO3)=O)S(=O)(=O)C	296
+CC(C)(C)OC(=O)NC1(CC1CC)C(NS(=O)(=O)OC2(CC2)C)=O	297
+c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl	298
+c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F	299
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3	300
+C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C	300
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3	301
+C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C	301
+C1CCCC1CC(C(Nc2ncc(Br)cc2)=O)c3ccc(c(F)c3)-n4c(nnn4)C	302
+FC(F)(F)C1N(c2ncc(cn2)-c3cccc(NC(C(C)n4cnc5N(C)C(=O)N(C(=O)c45)C)=O)n3)CCC1	303
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(c3)-c4cccc(C(=O)NC(C)(C)C(Nc5noc(C)c5)=O)c4)o2	303
+c1cc(ccc1)C(c2cc3[nH]nc(-c4ccccc4)c3cc2)C(C)(C)C(=O)Nc5sccn5	304
+FC(F)(F)c1cc(ccc1)S(=O)(=O)CCSc2c(NC(Cc3c(cccc3)OC)=O)cccn2	305
+CC(C)(CC)c1ccc(OC(C(=O)Nc2cc(O)c(cc2)NC(=O)C(F)(F)C(Cl)F)CC)c(c1)C(C)(C)CC	306
+CC(C)(CC)c1ccc(OCC(=O)Nc2ccc(cc2)Nc3cc(ccc3)O)c(C(C)(C)CC)c1	306
+O(CC)C(=O)C(C(OCC)=O)CC(c1ccc(cc1)-c2ccc(cc2)NC(CCCC)=O)=O	306
+c1(c[nH]c2c1cc(cc2)NC(CCCCC)=O)Cc3c(cc(cc3)C(=O)OC)OC	306
+c12c(-c3c(c4c(cccc4)c(n3)O)C1)ccc(NC(=O)CCl)c2	306
+c1cc(ccc1N2CCc3cc(ccc3C2Cc4ccc(cc4)OCc5ccccc5)OC)NC(=O)C	306
+c1cc(ccc1NC(=O)CCCl)Nc2nc(c(cn2)Br)Nc3ccccc3	306
+c1cc(ccc1NC(N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2)=O)NC(C)=O	306
+n1cc(-c2cc(NC(CC)=O)ccc2)nc3ccccc13	306
+O=S(=O)(Nc1scnn1)c2ccc(cc2)NC(=O)CCCCCCCCC	307
+c1cc(ccc1Cl)CN2C(C(=NN(c3cccc(NC(=O)COC)c3)C2=O)OC)=O	307
+CC(C)(C)C(=O)OCn1nc(N2C(C(C(O)C(Nc3ccc(cc3C(N)=O)I)=O)OCC2)=O)cc1	308
+c1ccccc1CCC(C(NC(CC(C)C)C(Nc2ccccc2)=O)=O)CSC(C)=O	308
+c1c(-n2ccnc2)cccc1NC(C)=O	309
+c1c(C)c(c(cc1-c2nc3ccc(cc3c(O)n2)NC(C)=O)C)O	309
+c1cc(ccc1Br)CN(c2ccc(cc2)NC(=O)C)n3cnnc3	309
+c1cc(ccc1C=2c3c(CC(NN=2)=O)cc4OCOc4c3)NC(C)=O	309
+c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl	309
+c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F	309
+FC(F)(F)C(NC(=O)C(N1CCC(C1(C)C)C(Nc2cc(c(F)c(c2)F)Cl)=O)=O)C	310
+c1cc(ccc1)NC(=O)C2CCN(CC2)Cc3ccc(cc3)-c4nc5c(cc4-c6ccccc6)cnc7n5nc(C)c7	310
+CC(C)(C)OC(=O)N1CC(OC)CC1C(=O)Nc2ccc(cc2F)-n3ccc(C)n3	311
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(Nc3c(cccc3)N)=O	311
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(Nc2ccccc2)=O)CNC(C)=O	311
+CC(C)[Si](C(C)C)(C(C)C)OCC(c1ccccc1)C(Nc2cc3c(cncc3)cc2)=O	311
+c1cc(N)c(NC(CCCCCCCNC(=O)c2c(C)[nH]c(C=NN=C3c4c(ccc(F)c4)NC3=O)c2C)=O)cc1	311
+CC(C)(C)OC(NCCC(Nc1ccc2c(n(S(=O)(=O)c3c4c(cccc4)ccc3)nc2)c1)=O)=O	312
+FC(F)(F)C(O)(C(Nc1ccc(c(OC)c1)S(=O)(=O)c2ccncc2)=O)C	312
+c1cc(ccc1OCCCCCCCCCCCCCC)CC(=O)Nc2cccc(CO)c2	313
+c12NC(Cc1ccc(c2)-c3cc(OCC)ccc3)=O	314
+C1OC(CCC1)OCC2CCc3cc(NC(C)=O)ccc3O2	315
+O=S1(=O)CCCN1c2ccc(cc2)NC(=O)C(CCC)Oc3cccc(-c4noc(n4)C)c3	316
+C1CC(CCO1)CC(C(=O)N(C)OC)c2nn(C)c(SC)c2	317
+c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3N2C(C3(Br)C(c4cc5COCCn5n4)OC(C)=O)=O)=O	318
+c1cc(ccc1CN(Cc2n(ccn2)C)Cc3[nH]ccn3)CN(CCC(=O)OCC)CCCCN(CCC)CCC	319
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(Cc4ccc(cc4)C)c(cc3c2)COC(C)=O	320
+Brc1cccc(Br)c1COC(C)=O	321
+C(OC(=O)C)c1c(Br)c(C)cc(OC(=O)C)c1	321
+CC(C)(O)c1ccc2c(CCN(C2=O)c3cccc(Br)c3COC(=O)C)c1	322
+CC(C)(C)OC(N1CCC2(CC1)c3n(c(cc3)C#N)-c4c(cc(COC(C)=O)cc4)O2)=O	323
+c1(Br)cc(cc(Br)c1COC(C)=O)F	324
+Cc1cc(cc(C)c1O)CC(OC)=O	325
+C(CCCCCCC(=O)OCCCCCC)C=CCCCCCCCC	326
+c1cc(ccc1)COC(COc2cc(C)c(c(c2)C)S(=O)(=O)Cl)=O	326
+C1CC(CCN1C(c2ccccc2)C(OC3CN4CCC3CC4)=O)C(N)=O	327
+C1CC(=O)N(C1=O)OC(CCCOc2cc3c(C(CCCN(C)C)c4c(cccc4)CC3)cc2)=O	328
+CC(C)C(c1cc(C)ccc1OC)CCC(=O)O	329
+C1N(CC1SC(=O)C)c2scc(C(=O)NC3CN(CC3)C(=O)OCc4ccc(cc4)[N+]([O-])=O)n2	330
+CC(C)(C)OC(NCC(SC(C)=O)C)=O	331
+c1cc(ccc1C(Cc2c(ccc(-c3sccc3)c2)OC)=O)F	332
+CC(C)(C)OC(=O)N1CC(C(c2cc(F)c(Cl)cc2)=O)CC1	333
+c1cc(ccc1CC(=O)c2ccc(cc2)F)SC	334
+CCC(c1cccnc1F)=O	335
+n1ccc2cccc(c2c1)C(=O)C	336
+C1CCCCN1c2ccc(cc2)C3(OC)OC3(C)C	337
+CC1(C)c2ccc(NC(=O)C)cc2NC(C1)=O	338
+COc1cc2CC3(C(=CC(=O)CC3)c2cc1)C	339
+c1c(c(c2c(c1)C3=CC(=O)CCC3(CCCC)C2)C)OC	339
+CC1(C)CC2(CC1)CNC(=O)C2	340
+O=S(=O)(c1ccc(c(Cl)c1C=2CC(ON=2)C)C(=O)OC)C	341
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=4CC(ON=4)C(OC)OC	342
+c1ccccc1C(c2ccccc2)C3OC3	343
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(C3=C(N(CC(C)(C)O)N(c4ccccc4)C3=O)C)=O	344
+c1ccccc1N2N(C(=C(C(Nc3cc(F)c(O)cc3Cl)=O)C2=O)C)C	345
+COc1ccc(CCBr)c([N+]([O-])=O)c1	346
+C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O	347
+C1CC(CCC1CCCCC)CBr	347
+C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O	348
+n1c(c2c(nc1NCc3ccc(c(Cl)c3)Cl)ncn2CCCCBr)O	349
+C(CCCCCCCCCCCCBr)CCCCOC(C)=O	350
+O=S1(=O)CCC(CC1)CCBr	351
+C(OC)(=O)NC1(C(CC#N)C1)c2cc([N+]([O-])=O)ccc2	352
+CC(C)(n1ncc(c1)-c2ncnc3c2cc[nH]3)CCC#N	352
+CC1(C)C(Cl)(Cl)C1CC#N	352
+C[Si](C)(C)CCOC(C(CC)c1c(I)cccc1)=O	353
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2ncnc3sc4CCC(CC(CC)O)c4c23	354
+CC(C)C(c1cc(C)ccc1OC)CCC(N)=O	355
+CC(C)(C)[Si](C)(C)OC1C(C(c2cnccc2)OC1)CCC(=O)OC	356
+C(CCCCCCCC(OC)=O)CCCCCCCCC(CC)C	357
+C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC	357
+C(CCCCCCCC(OC)=O)CCCCCCCCC(CC)C	358
+C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC	358
+c1cc(ccc1C2CCC(CC2)CCCCCOC)Cl	358
+CC(C)(CC=C)CCO	359
+c1cc(ccc1S(=O)(=O)n2c3ccc(cc3c(C4C(CCO)C4)c2)C#N)C	360
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)CCCO)cnc23	361
+c1ccccc1-c2ccc(cc2)CCCCCO	361
+c1cc(ccc1C2CCC(CC2)C(=O)OC)CCC3CCC(CC3)CCC	362
+c1cc(ccc1Cl)-c2c(ncc(C(=O)NC3CCCCC3O)c2)CCCOC	363
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(Cl)cnc(CCCO)c4	364
+c1ccc(CCC)cc1OCOC	365
+c1nn(c2c1C(CCCl)CCC2)-c3cc(c(cc3)Cl)Cl	366
+c1ccccc1OCCCCC(CCl)C	367
+c1ccccc1OCCCCC(CCl)C	368
+C(OC(=O)CCOCCCl)C	369
+CC(C)(C)OC(Nc1ccc(CCI)nc1)=O	370
+FC(F)(CI)c1ncc(cc1)C	370
+FC(F)(F)CCC(c1cccc(c1)Cl)CI	371
+C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O	372
+C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O	373
+ICC(COCCCCCCCC)OCCCCCCCC	373
+CC(C)(C)[Si](C)(C)OC(Cc1cc(-c2ccccc2)ccc1)CCC3CCC(N3CCCc4ccc(cc4)C(=O)OC)=O	374
+CC(C)(C)OC(N(C1CCN(CC1)C(OCc2ccccc2)=O)CCNC(OC(C)(C)C)=O)=O	375
+CC(C)(C)OC(N(C1CCN(CC1)Cc2ccccc2)CCP(OCC)(OCC)=O)=O	376
+C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O	377
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(Cc2ccc(cc2)Cl)CCN(CC)CC	378
+C1CN(CCN1CCOc2c(cc3c(c(Nc4cc(ccc4)Br)ncn3)c2)OC)CC(=O)OCC	379
+c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O	380
+c1cc(ccc1C)NC(CC2(NC(Nc3cccc(c3)OC)=O)C(N(c4ccccc24)CCN(C)C)=O)=O	381
+C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC	382
+C1CN(CCC1(CN2CCN(CC2)Cc3ccccc3)c4ccccc4)C	383
+C1CN(CCN1c2ccccn2)CC3CCCC4(OCCO4)C3	383
+c1cc(ccc1C#N)-c2nnn(Cc3cc(C(=O)Nc4sc5CC(CCc5n4)N(CCOC)C)ccc3)c2	384
+C(CN1CCC2N3c4c(C2C1)cc(-c5c(c(Cl)ccc5)Cl)cc4CCC3)C	385
+C1CC(CCC1N(CCCOc2c(Cl)cc(c(c2)OC)CO)C)OC(C(c3cccs3)(c4cccs4)O)=O	385
+c1cc(ccc1CC=2c3c(cccc3)C(N(N=2)CC4CCCN4CCN5C(c6c(C5=O)cccc6)=O)=O)Cl	385
+C1N(CC1(O)c2cc(cc(F)c2)Cl)CC	386
+C1CCCN1c2c3c4ccccc4n(c3nc(N5CCCC5)n2)CCN6CCCCC6	387
+C1CN(CCN1c2ccc(cc2)OCCOC)CCN3C4N=C5N(N)C=NC(=C5N4N(C)C3=O)c6ccco6	387
+C1CN(CCO1)CCCCn2cnc3nc(NCc4ccc(c(Cl)c4)Cl)nc(O)c23	387
+C1CN(CCO1)CCCc2cc(c3n2ncnc3N)Br	387
+CC(C)(C)OC(NC(Cc1cnccc1)CN2CCC(CC2)C(c3ccc(cc3)F)=O)=O	387
+CC(C)(C)OC(NCC(CN1CCC(CC1)Oc2ccc(cc2)F)NC(OCc3ccccc3)=O)=O	387
+CC(C)(C)n1nc(CCCN2CCN(CC2)c3ccc(cc3)Cl)cc1-c4ccc(cc4)Cl	387
+c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O	388
+CC(C)(C)OC(NC(C(NC1C(O)CN(CCC)C(CC1)C)=O)CC2CCCCC2)=O	389
+FC(F)(F)c1ccc(cc1)C23CN(CCCN4C=C(C(=O)NC4=O)c5c(F)nc(C)cc5)CC2C3	390
+C1CCCN(CC1)CCC2CCCc3n(ncc23)-c4ccccc4	391
+C1COCCN1CC2Cc3ccccc3CN2C(=O)OCc4ccccc4	391
+CC(C)(C)[Si](C)(C)OCc1cccc(n1)CCCN2CCOCC2	391
+CC(C)(Sc1cc2sc(N)nc2cc1)CN3CCCC3	391
+C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F	392
+CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCC(CC2)Oc3c(cc(F)cc3)C#N	393
+c1cc(ccc1)C2CCN(CC2)CCC3c4cnn(-c5cc(c(cc5)Cl)Cl)c4CCC3	393
+c1cc(ccc1S(=O)(=O)n2c(cc3c2nccc3)-c4c5c(n(c4)CCN6CCOCC6)cc(c(OC)n5)OC)C	394
+C1C(CN1CC2Oc3c4ccc(C)nc4ccc3OC2)Cc5cn(c6c5cc(F)cc6)C	395
+C1CC(CCN1CCC2CCC(CC2)NC(=O)C)C(=O)c3ccc(F)s3	395
+C1CCCN1CC2(CCN(CC2)c3ncnc4nc[nH]c34)c5cccc(-c6cnn(C)c6)c5	395
+C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC	395
+C1CN(CCN1CCc2c(cccc2)[N+]([O-])=O)c3nsc4c3cccc4	395
+C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F	395
+C1CN(CCN1CCn2ccc3c4nc(-c5occc5)nn4c(nc23)N)C(Cc6ccc(cc6F)F)=O	395
+C1CNCCN1CCOc2c(cc(F)cc2)F	395
+C1COCCN1CCc2sc3c(c2)c(N)nc(-c4cccc(C#N)c4)n3	395
+CC(C)(C)OC(N1CCN(CC1)CCCCc2cn(c3c(nc(CCCC)nc23)N)COCc4ccccc4)=O	395
+CC1(C)Oc2c(c(CCN3CCC(CC3)C(=O)OCC)ccc2)CO1	395
+CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O	395
+CN(C)CCCn1c2c(ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)c2)nc1	395
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1	395
+FC(F)(F)C(N(c1ccc(CCC(OCC)=O)c(F)c1)Cc2ccc3c(c2C)N(CCN4CCCCC4)CCC3)=O	395
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4nc(CC(F)(F)F)cn4CCN5CCC5	395
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(c(OC)c3)C=4NOC(=O)N=4)c(n2)CCCN5CCC5	395
+c12c(OC(CO1)CN3CC(Cc4c[nH]c5cc(F)ccc45)CCC3)c6c(nc(cc6)C)cc2	395
+c1cc(ccc1)C2=CN(C(c3ccccc23)=O)CCCN4CCCCC4	395
+c1cc(ccc1)C2CCN(CC2)CCC3c4cnn(-c5cc(c(cc5)Cl)Cl)c4CCC3	395
+c1cc(ccc1)CN2CC3CCC(C2)C3N(C)CCCC(c4ccc(cc4)C#N)Oc5ccc(c(OC)c5)OC	395
+c1cc(ccc1OCc2ccccn2)-c3nc(CCN4CCCC4)c(C)o3	395
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1	396
+CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O	397
+c1cc(ccc1)C(C)(CN(C)S(=O)(=O)c2ccccc2)CC=C(C)C	398
+FC(F)(F)c1cc(c(cc1)N(CC)CC2CCC(CC2)CC(=O)OCC)C=O	399
+FC(F)(F)c1cc(c(cc1)N(CC)CC2CCC(CC2)CC(=O)OCC)C=O	400
+c12c(cccc1)C(=O)N(C2=O)CCCCC=C	401
+c1ccc2c(c1)C(=O)N(C2=O)CC3CS(=O)(=O)N(C3)CC	402
+c12c(cccc1)C(=O)N(C2=O)CCCc3ccc(cc3)CCCCC	403
+FC(F)(F)COc1ccc(cc1N2CCNCC2)F	404
+CC(C)(C)OC(N(C(CCN1c2c(N(c3c(F)cccc3)S1(=O)=O)cccc2)c4ccccc4)C)=O	405
+c1c2c(CC(N(CCCNC(=O)Cc3cc(OC)c(OC)cc3[N+]([O-])=O)C)CC2)cc(c1)OC	406
+C1CCC(C1)C(=O)NCCn2c3CCN(Cc3c4cc(ccc24)C)C	407
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	408
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	409
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CCNC(=O)c3cccnc3	410
+CC(C)(C)OC(=O)N1CC(C1)(CNC(=O)c2c(ccc(F)c2Cl)F)C3CCCCN3C	411
+CC(C)(CNC(c1ccc(c(Cl)c1)Cl)=O)NCCC=C	411
+CN(C)C(C)(CCCC)CNC(=O)c1ccc(c(Cl)c1)Cl	411
+CC(C)(C)OC(=O)N(C)C(CNC(=O)c1cccc(C(OCCNC(OC)=O)c2cc(Cl)ccc2)c1)CC3CCCOC3	412
+CC(C)(C)OC(=O)NC(CNCC(Cn1c2ccc(F)cc2c3c1ccc(F)c3)O)C	413
+CC(C)(C)OC(N1CCN(CC1)C(c2c(cccc2)F)CNCC(CC)CC)=O	414
+c1cc(ccc1Nc2ncc(cc2)C(=O)N)CCNCc3ccccc3	415
+CC(C)(C)OC(=O)NC(CO)CNCCN	416
+C1CC(CCC1CNCC)CC(=O)OCC	417
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CNCC(F)(F)F)=O)cnc12	418
+CC(C)(C)OC(=O)N1C(CC2CCCC12)CNCc3ccccc3	419
+CC(C)(C)OC(=O)N1C(CNCc2ccccc2Cl)(CCC1)C	419
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CNCC(F)(F)F)=O)cnc12	419
+c1(Cl)cc(cc(Cl)c1NCC(OCC)=O)CCNC(C(c2ccc(cc2)O)O)C	419
+c1cc(ccc1)CCOCCC(N(C)CCNCC(O)c2c3SC(=O)Nc3c(OCc4ccccc4)cc2)=O	420
+c1cc(ccc1)CCOCCC(N(C)CCNCC(O)c2c3SC(=O)Nc3c(OCc4ccccc4)cc2)=O	421
+FC(F)(F)c1cc(-c2[nH]c(nc2)C3CCC(CC3)CNCC)ccc1	422
+C1CN2CCC1C(NCCc3n(C)c4ccccc4c3)C2	423
+FC(F)(F)Oc1ccc(cc1)CNCC	423
+C1CN2CCC1C(NCCc3n(C)c4ccccc4c3)C2	424
+c1cc(ccc1C(OCC)=O)-c2cc(-c3ccc4C(C)(C)CCC(C)(C)c4c3)c(cc2)OCCCNC5CC5	425
+CC(C)(C)OC(NC(C(O)CNCc1cc(ccc1)OC)Cc2cc(F)cc(F)c2)=O	426
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(C)c(OCCNCCO)c(CC)c4)c2)OC	427
+C1c2ccccc2CC1NCCCC3N(CCCC3)Cc4ccccc4	427
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)CNCCO	427
+c1cc(ccc1CCNC)-n2c3c(c(C)cc(C)n3)nc2CC	427
+O=S(=O)(NCCOc1c(cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)cc1Br)OCC)C	428
+n1cccnc1NCCN2CC(O)C(CC2)NCc3ccccc3	429
+CC(C)(C)OC(N1CCC(CC1)(CCCNc2ccc(nc2C)N3CC(CC3)N4CCCC4C)C(=O)OCC)=O	430
+C[Si](C)(C)CCOCN1C(c2cc(ccc2N=C1n3ncc(C(OCC)=O)c3)NCC)=O	431
+CC(C)(C)OC(=O)NC(CN=[N+]=[N-])CCC(OC)=O	432
+C(C)(=O)CC(C(O)CN=[N+]=[N-])O	433
+CC(C)(C)OC(=O)NC(CN=[N+]=[N-])CCC(OC)=O	433
+CC(C)(C)OC(N1CC(CC1CN=[N+]=[N-])O)=O	433
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(N3C(=O)OC(CN=[N+]=[N-])C3)cc2)F)=O	433
+[N-]=[N+]=NCCCCC#C	433
+[N-]=[N+]=NCCCC1NC(c2[nH]c3c(cc(OC)cc3)c2C1)=O	434
+FC(F)(c1ccc(C)cn1)CN=[N+]=[N-]	435
+C(C=CCC=CCCCCC)C=CCC=CCCCCN=[N+]=[N-]	436
+CC(C)(C)OC(=O)N1CC(CC(CN=[N+]=[N-])C1)N2C(c3c(noc3C)-c4c(Cl)cccc24)=O	437
+CC(C)(C)OC(=O)N1CC(CC(CN=[N+]=[N-])C1)N2C(c3c(noc3C)-c4c(Cl)cccc24)=O	438
+CC(C)(C)OC(NC(CC1CCCOC1)CN=[N+]=[N-])=O	438
+Cc1ccccc1-c2c(ccc3CC(CN=[N+]=[N-])Oc23)F	438
+FC(F)(c1ccc(C)cn1)CN=[N+]=[N-]	438
+O=S(=O)(C)c1cc(C(CCN=[N+]=[N-])NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)ccn1	439
+CC(C)(C)OC(C1CC2(CCC1(CC2)CN)CN)=O	440
+CC(C)(C)OC(=O)NC(CN)C	441
+CC(C)(C)OC(C1CC2(CCC1(CC2)CN)CN)=O	441
+FC(F)(c1ccc(C)cn1)CN	442
+C(C=CCC=CCCCCC)C=CCC=CCCCCN	443
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	444
+C1COCCN1CCCN2C=3c4cc5OCOc5cc4C(C=3c6c(cc(c(OCCCN)c6)OC)C2=O)=O	445
+NCCc1cc(Cc2cccnc2)cc(CCC(OCC)=O)c1	446
+c1cc(ccc1SC(C#N)(CCCCCN)c2ccc(OC)c(c2)OC)C	447
+FC(F)(c1ccc(C)cn1)CN	448
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	449
+O=S1(=O)N(CC(CN)C1)CC	450
+c1cc(ccc1CCCN)CCCCC	451
+CC(C)(C)OC(N1CCC(CC1)(CN)F)=O	452
+O=S1(=O)N(CC(CN)C1)CC	452
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	453
+CC(C)(C)OC(NC(CC1CCCOC1)CN)=O	454
+C(C=CCC=CCCCCC)C=CCC=CCCCCN	455
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	455
+CC(C)(C)OC(NC(CC1CCCOC1)CN)=O	455
+CC(C)(C)OC(NC(COC)CN)=O	455
+Cc1ccccc1-c2c(ccc3c2OC(CN)C3)F	455
+FC(F)(c1ccc(C)cn1)CN	455
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	456
+O(CC)P(OCC)(CCOCCN)=O	457
+O=S(=O)(c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCN)C	458
+O=S(=O)(c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCN)C	459
+Cc1ccccc1-c2c(ccc3c2OC(CN)C3)F	460
+c1ccccc1COC(=O)NC(CN)COC	461
+c1ccccc1COC(=O)NC(CN)COC	462
+c1c(C)nc(CCN)cc1	463
+c1cc(ccc1CCCN)CCCCC	463
+CC(C)(C)OC(=O)NC(CCC(OC)=O)COS(=O)(=O)c1ccc(cc1)C	464
+C1OC(CCC1)OCC2Oc3c(cc(cc3CC2)F)[N+]([O-])=O	465
+CCOC(Cc1ccco1)=O	466
+c1cc(ccc1Br)-c2nc(c(C)o2)CCOCc3ccccc3	467
+C(CCCOCCCOCCCCCCCCCCCCCCCCCC)O	468
+c1cc(ccc1)C(CC=C)(COC)C	469
+C1CCC(C1)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	470
+CC(C)(C)OCCCON	471
+O=S(=O)(C)OCCCC1=C(c2ccc(C)nc2N(CC)C1=O)c3cccc(c3)Cl	472
+O=S(=O)(C)OCCCC1=C(c2ccc(C)nc2N(CC)C1=O)c3cccc(c3)Cl	473
+O=S(=O)(C)OCCC(C)(C)CC1OCCO1	474
+O1CCOC12CCC(CC2)(CC)COS(=O)(=O)c3ccc(cc3)C	475
+CC(C)(C)[Si](C)(C)OCC1C(CCN1C(=O)OC(C)(C)C)O	476
+CC(C)(C)[Si](C)(C)OCC(C)(C)c1cc(N)n(-c2ccccc2)n1	477
+CC(C)(C)[Si](C)(C)OCCC(O)C1=CC(N(C=C1)C2=CC(C)(C)Oc3c2cc(C#N)cc3)=O	477
+CC(C)(C)[Si](C)(C)OCC(C)(C)CCC#N	478
+CC(C)(C)OC(N1CC(C1)CCOc2cccc(Oc3ccc(cc3)Cl)c2)=O	479
+c1cc(-c2oc(-n3c(ncc3)C)nc2CCCCOc4c(C)cccc4)c5c(cccc5)c1F	480
+c1cc(c(c(F)c1OCCOC)C#N)I	481
+c1cc(OCCBr)cc([N+]([O-])=O)c1OCC(OC)=O	482
+CN(C)CCOc1ccc(cc1)C(Cc2ccc(cc2)Cl)=O	483
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(OCC)cc3)C1=O)N(c4ccc5nc(oc5c4)C)C	484
+c1c2n(CC)cc(c2ccc1OCC)C#N	484
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)OCCC	484
+c1cc(ccc1OCCCCCC)S(=O)(=O)N(CC(C)C)CC(=O)OCC	484
+FC(F)(F)c1cc(-c2cc3n(nnc3c(C#N)n2)C)ccc1OCC4CCN(CC4)c5cc(ccn5)C	485
+c1cccc2nc(-c3c(OCCOCCOCCOC)cc([N+](=O)[O-])cc3)sc12	486
+CC(C)(C)OC(=O)NC(COc1c(cc(N)cc1)-c2n(C)ncc2)C	487
+FC(F)(F)c1cc(-c2cc3n(nnc3c(C#N)n2)C)ccc1OCC4CCN(CC4)c5cc(ccn5)C	487
+O=C1c2c(cccc2)C(=O)N1C(COc3c4c(cncc4)ccc3)C	487
+C1CCC(C1)c2c(OCCCC(=O)OC)ccc(-c3c4c(c(Br)c5ccccc35)sc(C)c4C)c2	488
+FC(F)(F)COc1c(CC(OC)=O)ccc(c1)OCC2OC2	489
+CC(C)Oc1cc(C(=O)Nc2ncc(C(=O)OC)cc2)cc(OCC(C)C)c1	490
+CC(C)(C)OC(=O)NCCOc1ccc2c(c1)C(C(N3CCCC3)CC2)Cc4cc(c(cc4)Cl)Cl	491
+c1cc(ccc1N2CCN(CC2)c3ccncc3)OCCCC(OCC)=O	491
+c1(cccc(OCC)c1Br)C(=O)C	492
+c1cc(ccc1OCCCCc2cc(OC(=O)C)ccc2)CCN3C(OC(c4ccc5OC(C)(C)OCc5c4)C3)=O	493
+c1cc(ccn1)OCC(C2CCCCC2)n3c4c(nc3-c5ccc(cc5)Cl)cc(c(c4)F)F	493
+O=S(=O)(C)c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCO	494
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(SCCCO)cc3Oc4ccccc4)sc2	495
+C1CN(CCO1)Cc2[nH]c3c4c(C5CC(CO)CN(C#N)C5Cc24)ccc3	495
+CC(C)(C)OC(=O)N1CC(CO)C(CC1)c2ccc(cc2)Cl	495
+CC(C)(C)[Si](C)(C)OC1CCN(C1CO)C(=O)Nc2c(C)c(Cl)c(C#N)cc2	495
+CC(C)=CCCCCCO	495
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)-c3cnn(C4(CC(C4)CO)CC#N)c3	495
+c1cc(ccc1)-c2oc(c(n2)CCO)C	495
+c1ccccc1CC(=O)NC2C(N(Cc3ccc(cc3OC)OC)C2=O)CO	495
+C(CCCO)n1c2c3c(cccc3)ncc2nc1CCC	496
+CC(C)(C)OC(=O)N1CC(CC(CO)C1)N(C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C)C	497
+c1cc(ccc1)C(N2C(CC(CC(C)CO)C2)=O)C	497
+CC(C)(C)OC(=O)N(C(CCO)c1ccc(cc1)OCc2ccccc2)C	498
+c1[nH]c2c(c1CCCO)c(C)c(cc2)[N+]([O-])=O	498
+C(C)N(CC)C(c1ccc(cc1)C(CCO)c2cccc(OC)c2)=O	499
+C1C(CCC(=C1)CCCCC)CO	499
+CC(C)(C)c1cc(n(-c2ccc(cc2)CCO)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	499
+COc1ccc(CCO)c([N+]([O-])=O)c1	499
+Clc1cccc(c1)C2=C(C(N(c3nc(C)ccc23)CC)=O)CCCO	499
+O=S(=O)(c1cccc(OC)c1)NCCCO	499
+c1ccccc1OCCCCC(CO)C	499
+C1C2CCCC(CC1C(OC)=O)C2N3C(=O)C(C)(C)C(C3)CO	500
+c1(C(C(N)CO)C)[nH]cnc1	501
+CC(C)(C)OC(=O)N1CC(CO)CC(C1)N2c3cccc(Cl)c3-c4noc(c4C2=O)C	502
+C1CN(CCO1)c2c(c(c(C(OCC)=O)s2)C(c3cc(c(Cl)cc3)Cl)CCO)C#N	503
+CC(C)(C)OC(N(c1ccc(I)cc1F)C=2N(C)C(=O)C=CC=2NS(=O)(=O)C3(CC3)CCO)=O	503
+CC(C)c1c(cc2OCOc2c1)CCO	504
+c1cc(ccc1Br)-c2nc(c(o2)C)CCO	505
+O=S(=O)(C)OCC(CCCCC)c1c2OCOc2ccc1	506
+CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O	507
+CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O	508
+O=S(=O)(C)OCCCC1Cc2c(C(=O)N1)[nH]c3ccc(OC)cc23	509
+c1ccccc1COC(=O)NC(COS(=O)(=O)C)COC	509
+O=S(=O)(C)c1cc(C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CCOS(=O)(=O)C)ccn1	510
+c1c(C=2C(NC(=O)C=2c3cn(C)c4ccccc34)=O)c5c(cccc5)n1CCCS(=O)C	511
+CC(C)(C)OC(N1CCC1COc2cnc(Cl)c(c2)CC)=O	512
+CCCCCCCCCCCCc1sccc1	513
+C1CC2(CCN1Cc3ccccc3)Cc4c(C2)ccc(OC)c4	514
+C1N(CC=C(COc2ccccc2I)C1)C	515
+O1CCOC12CCC(c3cc(F)c(F)cc3F)=CC2	516
+c1cc(C=2CCC(CC=2)C=C)c(c(F)c1OCC)F	516
+C1C(c2cccc(c2F)F)=CCC(CCCCC)C1	517
+C1CC1CN2CCN(CC2)c3c(C=4CC(C)(C)CC(C)(C)C=4)cccc3	518
+c1cc(ccc1)CC(O)C=CC2N(CCCCCl)C(CC2)=O	519
+c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2	519
+CC(C)(C)[Si](C)(C)OC(CCCC(C=CC1C(OC2CCCCO2)CC(Cl)C1CCCc3ccc(C(OC)=O)s3)O)C	520
+c1cc(ccc1)CC(O)C=CC2N(CCCCCl)C(CC2)=O	520
+c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2	520
+c1cc(ccc1)CC(=O)C=CC2CCC(N2CCCCCl)=O	521
+c1cc(ccc1)CC(=O)C=CC2N(CCCCOCC(=O)OC)C(CCC2)=O	521
+C(CCCCCC(OC)=O)CCCCCCCCC=CC(CC)C	522
+O(C)c1c(cc(C(=O)OC)cc1OC)CCC=CCC	522
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F	523
+c1ccccc1COc2cc3C=CC(C)(C)Oc3cc2	524
+c1ccccc1COc2cc3C=CCc3cc2	524
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F	525
+CC(C)(C)OC(=O)N1CCC(C1)C=C	526
+CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C	527
+c1ccccc1COCC(OCC=NO)CC=C	528
+CC(C)(C)OC(NC(Cc1ccccc1)(C)C=NO)=O	529
+CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C	529
+FC(F)(F)C(C=Nc1cc(cc2c1cnc(C)n2)F)(CC(c3cccc(c3OC)F)CCC)O	530
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=O)F	531
+CC12C3CCC4(C(CCC4C=O)C3CCC1CC(C)(O)CC2)C	531
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1	532
+CC(C)(C)OC(NC(CCCC)C=O)=O	533
+CC(C)(c1c2c(ccc1)CCO2)CC=O	533
+c1cc(ccc1)CC(C=O)NC(OCC)=O	533
+CC(C)(C)OC(NC(C=O)C(C)C)=O	534
+CC(C)(COc1ccc(cc1)OC)C=O	534
+COc1c(cc(F)c(c1)CC=O)C#N	534
+c1c(OC)c(c(cc1CC=O)OC)OCc2ccccc2	534
+C1CC(CCN1OC)CC=O	535
+CC(C)(C)OC(=O)CC1CC(C(N(C(CC)C=O)C1=O)c2ccc(cc2)Cl)c3cc(Cl)ccc3	535
+c1(C(C=O)C)ncccc1Cl	535
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCC=O)c1	535
+c1cc(ccc1F)C(C)(C)CCC=O	535
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1	536
+C1OC(CCC1)OCC(C)C=O	537
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)C=O)=O)cnc12	538
+CC(C)(C)OC(=O)N1CC(CC1C)c2ccccc2	539
+c1cc(ccc1)COC(N2CC(CC)C(C2)N=[N+]=[N-])=O	540
+c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O	541
+c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O	542
+CC1(C)Cc2c(OC)cccc2C1N3CCCCC3	543
+C1CC2(CCC1OC)Cc3cc(c(Br)cc3C2=N)F	544
+CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(cc1)Oc2cc3c(COC3)cc2)C	545
+c1cc(ccc1OCC(=O)Nc2c(C(=O)OC)cc(cc2)Br)C#N	546
+CC1CN(CC(C)O1)C2CCN(CC2)CC34c5c(cccc5)C(C3)c6c4cc(cc6)Cl	547
+C1C(CC1)N2CCc3c(cc(Oc4c(cc(cc4)I)F)cc3)CC2	548
+c1cc(ccc1-n2nc3CCN(CCc3c2)C4CCC4)NS(=O)(=O)C	549
+CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4	550
+CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4	551
+C1CC(CCN1C(C)=O)C(=O)Nc2cc(ncn2)-c3ccccc3OCC	552
+c1cc(ccc1CC(C)(C)C(N2CCCC(CNC(=O)Nc3cc(-c4n(nnn4)C)ccc3)C2)=O)F	553
+c1cc(ccc1C2(CCC2)C(N3CC(CO)CCCC3)=O)Cl	554
+C1CN(CCN1C)C(c2cccc(c2)Br)c3ccc(cc3)Cl	555
+FC(F)(F)C(=O)N(C(C)c1ccccc1)C2CCC3(OCCO3)CC2	556
+C1CC(CCN1C)N(C(=O)Cc2ccc(OC)c(O)c2)Cc3ccc(cc3)C	557
+C1CN(CCC1C)C(Cc2ccc(cc2Cl)[N+](=O)[O-])=O	558
+CC(C)(C)OC(NC(Cc1ccc(c(F)c1)Cl)C(N2CCN(CC2)c3c4c(ncn3)CSC4CC)=O)=O	559
+c1cc(ccc1F)-c2nc(n(CC(=O)N3CCN(CC3)c4cc(OC)ccn4)n2)-c5ccc(cc5)F	559
+C1C(CN1C(=O)CCOCCc2ccc3c(ccs3)c2)O	560
+FC(F)(F)c1ccnc(COCC(=O)N2CC(NC(OC(C)(C)C)=O)CC2)c1	560
+c1cc(ccc1OCC(=O)N2CCCC(C(OCC)=O)C2)-c3ccc(cc3)C#N	560
+c1ccccc1COC(=O)C2OCCN(C2)C(CCl)=O	561
+C1CN(CCC1COc2cc3ncnc(c3cc2OC)Nc4c5c(ncc4Cl)OCO5)C(CN(C)C)=O	562
+CC(C)(C)C(C)C(=O)N1CCC(CC1)c2c3c(ncc(NC(=O)c4cccc(C#N)c4)c3C)n(C)c2	562
+c1cc(ccc1C(C)C)CC(N2CCN(CC2)c3c(c(ncn3)N)C=NOCC)=O	562
+C1CC(CCC1C(=O)N2CCNCC2)CN3C(N(c4ccccc4C3=O)C)=O	563
+C1C(CC1)(C(=O)N2CCC(Nc3cc(c4cc(OC)ccc4n3)C)C2)c5ccc(cc5)Cl	564
+C1CC(CCN1C(=O)C2CCN(CC2)C(=O)C)N(CCC)C3Cc4c(CC3)ccc(OC)c4	564
+C1CC1(C#N)C(=O)N2CCC(C)C(N(c3c4c([nH]cc4)ncn3)C)C2	564
+c1cc(ccc1Cl)C2CN(CCC2C(Nc3ncc(cc3)C#N)C)C(C4CCN(CC4)c5ccc(cn5)C#N)=O	564
+C1CC(CCC1C(=O)N2CCC(CC2)N(C)C)Nc3nc(ccn3)-n4ccc5c4cccc5OCCCS(=O)(=O)C	565
+CC(C)(C)OC(N(Cc1c(F)cc(cc1)F)C2CN(Cc3ccccc3)C(C(=O)N4CCN(CC4)c5ccc(cc5)C(C)=O)C2)=O	566
+C1CN(CCN1C)C(=O)CCc2cccc(c2)O	567
+FC(F)(F)c1ccc(cc1)CNC(=O)N2CC(c3cc(ccc3)OC(C)(C)C(OCc4ccccc4)=O)CCC2	568
+C1CN(CCC1Nc2ncc(C(=O)OC)cc2)C(Nc3ccccc3)=O	569
+C1CN(CCN1C)C(=O)Nc2cccc3nc(ccc23)NC4c5c(CC4)cccc5	570
+n1cc(cnc1NCC2CCN(CC2)C(=O)OCc3ccccc3)-c4ccc(cc4)S(=O)(=O)C	571
+C1CN(CCC1(c2c(C)cccc2)C#N)C(OCC)=O	572
+c1cc(ccc1)COC(=O)N2CC3C(=O)CCC3C2	573
+c1cc(ccc1Br)OC(N2CCc3c(O)nc(nc3C2)C)=O	573
+CC(C)(C)OC(=O)NCCN(C1CCC(CC1)(O)CC(OCc2ccccc2)=O)C(OC(C)(C)C)=O	574
+CC(C)(C)OC(=O)N(C1C(F)CN(C1)C(OCc2ccccc2)=O)C	575
+CC(C)(C)OC(=O)N(C1c2c(cc(cc2)C#N)OCC1)C	575
+CC(C)(C)OC(N1CCCC(N(C(=O)CC)c2ccccc2)C1)=O	576
+C1CN(CCN1C)C(=O)c2ccc3CN(c4c(cccc4)Cn23)C(c5ccc(cc5)C6CCCCC6)=O	577
+c1cc(ccc1S(=O)(=O)N(C)Cc2c(Cl)c(C(=O)N3CC(C(NCc4onc(C)n4)=O)Oc5ccccc35)sc2)Cl	578
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CC2)C(=O)c3ncn(-c4ccc(cc4)S(=O)(=O)C)c3	579
+FC(F)(F)c1cc(-c2occc2)cn3c(Cl)c(C(N4C(CN(C)CC4)c5ccccc5)=O)nc13	580
+C1CN(CCN1C(c2n[nH]c(-c3cnc(nc3)Oc4ccccc4)c2)=O)C	581
+C1CC1c2cccc(n2)C(N3CCN(C(OCc4ccccc4)=O)C(C)(C)C3)=O	582
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)C(=O)c3ccccc3	583
+c1cc(ccc1Nc2nc3-n4c(N(C(=O)c3cn2)c5c(cccc5Cl)Cl)ncc4)C(=O)N6CCC(CC6)N(C)C	584
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(C(N5CCC(OC)C5)=O)ccc4c(S(C)=O)c3	584
+CC(C)(C)OC(N1CCN(CC1)C(c2cc(nc3c2c(nn3C4CCCCO4)I)Cl)=O)=O	585
+CC(C)(C)OC(NC1C2C1CN(C2)C(c3ccc(cc3)NC(c4ccc(cc4)F)=O)=O)=O	585
+C1CN(CCN1C)C(=O)c2ccc3CN(c4c(cccc4)Cn23)C(c5ccc(cc5)C6CCCCC6)=O	586
+CN(C)C(Cc1c(Sc2c[nH]c3ccccc23)cccc1)=O	587
+C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O	588
+CC(C)(Oc1ccc2c(c(C(=O)OCc3ccccc3)c(C)[nH]2)c1)C(N(CC)CC)=O	588
+C1(C(CC)=CN(C2CC(O)C(CN(C)C(Cc3ccccc3Br)=O)O2)C(N1)=O)=O	589
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(C)CCOC	590
+CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C	591
+CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C	592
+CC(C)(C)OC(N(Cc1ncccc1)C)=O	593
+C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3	594
+C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3	595
+CC(C)(C)OC(Nc1nc(C(N(C)C)=O)cs1)=O	596
+c1cc(ccc1)-n2nc(C(OC)=O)c(C(=O)N(C)C)n2	597
+c1cc(ccc1C(N(C)Cc2cccc(c2)OC)=O)-c3cc(ccc3C)-c4nnc(C)o4	598
+CN(C)CC(=O)N1c2ccc([N+]([O-])=O)cc2CC1	599
+CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O	600
+CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O	601
+CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2	602
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C	603
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C	604
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCN(CC)CC	604
+c1ccccc1CCCCN(C)C	604
+CN(C)CC1(CCCCC1)c2cc(c(Cl)cc2)Cl	605
+CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2	605
+CC(C)(C)OC(N1CC(NC(=O)COCCN(C)C)CC1)=O	606
+C(C)N(CC)Cc1nc2cc(c(cc2c(c1C(C)=O)-c3cc(c(cc3)OC)OC)OC)OC	607
+CN(C)Cc1cc(N)ccc1Br	608
+C1CN(CCN1c2oc(nn2)C3CCC4N(C(=O)N3C4)OCc5ccccc5)C	609
+c1cc(ccc1F)S(=O)(=O)N2CCN(CC2C(=O)OCC)C	609
+C1CN(CC1c2nnc3n2cc(cc3)F)C	610
+C1N(CCC1COC(=O)Nc2ccccc2Br)C	610
+C1C(C(CN(C(=O)OCC)C1)CC)=O	611
+c1cc(ccc1)CN(CCc2cccnc2Cl)CCO	612
+c1ccccc1S(=O)(=O)Nc2cccc(Sc3ccc4c(CN(C(N)=N4)CCC)c3)c2	613
+O=S(=O)(N(C)C(CO)C(CC)C)c1ccc(cc1)Cl	614
+C(O)CN(C)c1n(C)ncc1[N+](=O)[O-]	615
+CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(CN3CCC(CC3)CCC)=C(Cl)C=C(C2=O)Cl	616
+C1CN(CCN1CC(COc2c(OC)cccc2)O)CC(Nc3c(cccc3C)C)=O	617
+c1cc(ccc1SCCCN2CCC(CC2)c3c4c(n(c3CC)-c5ccccc5)cc(F)cc4)F	618
+FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C	619
+CC(C)(C)OC(=O)N1CCC(N(CCCCN(C2Cc3c(CC2)ccc(OC)c3)CCC)CC1)=O	620
+CC(C)(C)OC(=O)N1CCN(CC1)CCn2ncc3cc(ccc23)Oc4c(cc(cc4)F)C#N	620
+c1cc(ccc1)N2CCN(CC2)C(=O)NCCCCN(CCC)C3CCc4c(C3)scn4	621
+C1CN(CCC1O)CC23CC(c4ccc(cc24)Cl)c5ccccc35	622
+CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O	622
+CC(C)(CN1CCCC(CNC(=O)Nc2cc(-c3n(nnn3)C)ccc2)C1)Cc4ccc(cc4)F	622
+c1cc(ccc1Cl)C2(CCC2)CN3CC(CCCC3)CO	622
+c1ccccc1COC(=O)NC(c2ccccc2)CN3CC(CC3)OCCOCCOCCOCCOCCOC	622
+C1CN(CCN1C)CCCOc2ccc(cc2)NC=C3c4ccccc4NC3=O	623
+C1CC(CCN1CCC2c3ccccc3OCC2)NC(C)=O	624
+C1CC(CCN1CCCCn2cnc3c2cccc3)N4c5c(cccc5)NC4=O	624
+C1CCN(C1)CCN(C)CCSC2CCC3(C)C(CCC4C5(CCC(c6ccoc6)C5(CCC34)C)O)C2	624
+C1CN(CCN1CCC2CC(Nc3ccccc23)=O)c4cccc5c4cc(cc5)OC	624
+C1CN(CCN1CCCCc2c3cc(ccc3[nH]c2)C#N)c4sc(C#N)c(n4)C	624
+CC(C)(C)OC(=O)NC1CCCCC1CN2CC(COC)CCC2	624
+CC(C)(C)OC(=O)NC1CCN(CC1)CC2CN3C=4N2C(=O)C=CC=4N=CC3=O	624
+CC(C)(C)OC(N1CC(c2ccccc2)C(CN3CCC4(CC3)CCN(Cc5ccc(cc5)Br)C4=O)C1)=O	624
+CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O	624
+c1cc(ccc1)C(c2ccccc2)CN3CC(O)(CC3)C	624
+c1cc(ccc1C(CCCCN2CCN(C(=O)OCC)C(C)C2)c3cnccc3)F	624
+c1cc(ccc1C2(CCC2)C(N3CC(CN4CCN(CC4)c5c(OC)cccc5)CCC3)=O)Cl	624
+c1ccccc1-n2c3c(c(ncn3)NCCCN4CCN(CC4)c5cccc(Cl)c5Cl)nc2-c6ccccc6	624
+c1cc(ccc1)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN3Cc4ccccc4C(C5CCC5)(C(O)C3)O	625
+C1CN(CCN1CCC(C(C2CCCCC2)=O)c3ccccc3)c4ccccc4OC	626
+C1CN(CCN1CCOc2cc3c(cc2)OCC(N3)=O)c4c5c(nc(cc5)C)ccc4	627
+O(C(=O)C1CN(CCSc2c(ccc(F)c2)F)CCC1CCC(=O)c3c4c(ccc(OC)c4)ncc3F)C	627
+c1cc(ccc1C#N)NC(C(=O)OCC)c2c(F)c(OC3CCN(CC3)CCO)cc(OCC)c2	627
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(OCC)=O	628
+c1cc(ccn1)C(Cn2c3c(c4cc(ccc24)C)CN(CC(O)C)CC3)O	629
+C1CN(CCN1c2c3c(nc(cc3)C)ccc2)CCc4ccc5OCC(N(C)c5c4F)=O	630
+CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)c3cc(ccc3)NC(=O)CC	630
+O=S(=O)(c1ccc(cc1)NC(=O)CC2CCN(CC2)CCO)C	630
+C1CN(CCN1CC2(CCOCC2)c3ccc(cc3)OCCCN4CCCC4)C	631
+FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C	631
+c12c(cccc1)C(=O)N(C2=O)CCCN(C(C)C)S(=O)(=O)c3ccccc3[N+]([O-])=O	632
+C1N(C)c2c3N(C1)C4C(CN(C(=O)OCC)CC4)c3ccc2	633
+N1(c2ccc([N+]([O-])=O)cc2OCC1)C	634
+n1c2c(ccc(Nc3cc(C=4CCN(C)CC=4)ncn3)c2)ccc1	635
+FC(F)(F)c1ccc(cc1)-c2nc(CN3CCN(CC3)Cc4ccc(c(OC)c4OC)OC)c(C)n2C	636
+CC(C)(C)OC(=O)n1nc(cc1)CN2CC(C)NC(C2)C	637
+n1cccnc1CN2CC(C2)n3c(-c4ccnc(n4)N)c(nc3)-c5ccc(cc5)F	638
+CC(C)(C)OC(N1CCN(Cc2c(ccc(OS(=O)(=O)C)c2)Cl)C(C1)=O)=O	639
+CC(C)(C)OC(N1CC(C(=O)N(CC(C)C)Cc2cc3c(OCCCO3)c(Cl)c2)CC1)=O	640
+CC(C)(C)OC(=O)N(C)Cc1ccc(c(c1)F)CO	641
+CC(C)(C)OC(N(Cc1cc2c(OCO2)cc1)CCCBr)=O	642
+CC(C)(C)OC(=O)N(Cc1cc(ccc1I)Br)CC	643
+CC(C)(C)OC(N(Cc1cc(ccc1Oc2cc(Cl)c(cc2)Cl)Br)C)=O	643
+c1cc(ccc1F)COC(N(Cc2c(-c3cc(ccc3OC)CC(OC)=O)cc(cc2)OC)CC)=O	644
+CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)CCCCN(Cc1ccccc1)CC(O)CCl	645
+O=S(=O)(N1C(C(OCC)=O)CN(CC1)Cc2ccc(cc2)Br)c3ccc(cc3)OCC#CC	646
+c1cc(ccc1CN2CC(OCC2)C(C)C)Br	646
+C1CN(CCC1CNc2nc3c(C(=O)OC)cccc3[nH]2)Cc4cc(Cl)cc(c4O)Cl	647
+c1cc(ccc1Oc2cccc(CN3CCN(CC3)C(=O)Nc4noc5c4cccc5)c2)Cl	647
+c1ccn(c1)-c2c(CN3CCC(CC3)Nc4nc(NCCCN(C)C)nc5ccccc45)cccc2	647
+FC(F)(F)c1nnc(N(C)C2CCN(CC2)Cc3ccc(cc3)F)s1	648
+FC(F)(F)CN1CCN(Cc2cccc(F)c2F)CC(NC(=O)OC(C)(C)C)C1=O	649
+CC(C)(C)OC(N(C1CN(CC1)Cc2ccc(cc2)OC)c3ncc(C=CC(=O)OCC)cc3)=O	650
+FC(F)(F)c1ccc(cc1)CN2CCC(CC2)Nc3ccc(C#N)nn3	650
+FC(F)(F)c1cc(CN2CCN(CC2)C)cc([N+](=O)[O-])c1	651
+c1cc(ccc1-c2ccc(cc2)NC(C=Cc3ccc(cc3)CN4CCC(CC4)C)=O)Cl	652
+CC(C)(C)OC(Nc1cc(C)cc(CN2CCN(CC2)C(C)=O)c1)=O	653
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(-c4ccc(cc4)CN5CC(C5)C(O)=O)n3	653
+C1CN(CCN1Cc2c(ccc([N+](=O)[O-])c2)F)C	654
+CC(C)(C)OC(=O)N1CCN(CC1C)Cc2c(cc([N+](=O)[O-])cc2)Cl	654
+FC(F)(F)c1n2nc(N3CCN(CC3)Cc4cc(Cl)ccc4)ccc2nn1	655
+FC(F)(F)c1ccc(Oc2cccc(CC(O)=O)c2)c(c1)CN(S(=O)(=O)c3ccc(cc3)Cl)C	656
+C1COCCN1c2c3c(cc(s3)CN4CCN(CC4)C)nc(Cl)n2	657
+CC(C)(C)OC(=O)N(C)Cc1cc([nH]c1)-c2ccccc2F	658
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cc3nc(-c4c(cccc4)[N+](=O)[O-])sc3nc2	659
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(c3s2)Oc4ccc([N+]([O-])=O)cc4F)cc1)CCOC	660
+C1CN(CCN1c2ncc(cc2)C(OCC)=O)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3	661
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc(cc2-c3ccc(cc3)Cl)F	662
+C1CC(CCN1Cc2cnccc2)n3ncc4c(nc(nc34)Cl)N5CC(C)OC(C)C5	663
+CCN(N)C(Nc1sc(C)nn1)=O	664
+O=S(=O)(N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O)C	665
+C1CN(CCC1Oc2cc(C)c(c(C)c2)-c3cc(ccc3)COc4cc5OCC(CC(OC)=O)c5cc4)S(=O)(=O)C	666
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1-c4nnc(o4)NC5CCN(CC5)S(=O)(=O)C	666
+O=S(=O)(N1CCC(CC1)COc2c3ccccc3nc(c2)C)CCC4C(NC(N4)=O)=O	667
+C1CCCC1CC(C(NC2CCCN(S(=O)(=O)c3ccccn3)CC2O)=O)NC(=O)c4occc4	668
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(C(C)CN4CCN(CC4)S(=O)(=O)c5nn(cc5)C)nc3)ncnc12	668
+O=S(=O)(N1CC(CNC(C(CC(C)C)NC(c2cc3ccccc3s2)=O)=O)C(O)C1)c4ccc(cc4Cl)F	669
+FC(F)(F)Cc1ccc(cc1)N2C(=O)C3(CCN(CC3O)S(=O)(=O)c4c(Cl)cccc4)CC2	670
+c1cc(ccc1C(NCc2sc(cc2)S(=O)(=O)N3CCC(CC3)=O)=O)Cl	671
+c1cc(ccc1F)-n2c3C=C4C(Cc3cn2)(COCC)CN(CC4)S(=O)(=O)c5ccc(Cl)nc5	672
+c1cc(ccc1-c2ccc(cc2)C#N)N3C4C(CN(C(OCc5ccccc5)=O)C4)CC3	673
+c1cc(ccc1N2CCC(CC2)C(=O)N(OC)C)Cl	674
+CC(C)(C)OC(N1CCCC2C1CN(C2)c3c(cc4C(=O)C(=CN(C5C(F)C5)c4c3Cl)C(O)=O)F)=O	675
+c1ccccc1-c2nnc(N3CC4CCC(C3)N4C)cc2	676
+C1CC(CCN1c2c(cc3C(C(=CN(c3n2)C4CC4)C(O)=O)=O)F)Nc5ccc(N6C(=O)OC(CNC(C)=O)C6)cc5F	677
+C1C(CN1c2ccc3c(cc(cc3)F)n2)c4c(-c5cc(c(cc5)C(NC)=O)F)nccn4	678
+C1CC(CCN1c2ncccc2Br)Nc3ccc(cc3)F	679
+FC(F)(F)c1ccnc(N2C3C(C(O)(c4ccccc4)CC2)CCCC3)c1	680
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccccc2N(S(=O)(=O)C)C	681
+c1nc(ncc1F)N2CCN3C(CCC(C3)Cn4ccc5c4ccc(F)c5)C2	682
+c1cc(ccc1)C(C(OC)=O)C2CCN(CC2)c3ncccn3	683
+C1CC(CCN1c2ncncc2)C(N3CCN(CC3)Cc4ccccc4)=O	684
+C1C2CN(CC2CN1c3cc(N(C)C)ncn3)C(=O)c4c(cc(OC)cc4)-n5nccn5	685
+C1CN(CCN1c2ncnc3c2C(C)CC3O)C(N(Cc4ccc(cc4)Cl)CCN(CC)CC)=O	686
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(cc(c(c2OC)N)Cl)F	687
+CC(C)N1c2cccc(c2NC1=O)F	688
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(Nc3c2cc(C4CC4)cc3F)=O	689
+CCN1C(Nc2ccccc12)=O	689
+N1(c2cc(C)ccc2NC1=O)C(CCC)CC(OCC)=O	689
+c12CN(C(=O)c1cccc2[N+]([O-])=O)CCOC	690
+c1cc(ccc1OC)CN2C(c3c(cccc3C2)I)=O	690
+C1(=O)N(CC)NCN1c2sc(C)nn2	691
+C1(=O)N(CC)NCN1c2sc(C)nn2	692
+CC(C)(C)OC(NC(c1ncc(F)cc1F)C)=O	693
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(C3(C(C)C)CC(CC3)NC4C(COCC4)C)=O	694
+C1CCCC1NCCNC2CCC(CC2)CC(=O)NC3Cc4c(c(C(O)=O)ccc4)OB3O	695
+c1ccccc1COC(NC2CCN(C3CCC(NC(C)C)CC3NC(C)=O)C2=O)=O	695
+C1CC(CCN1c2ccc(cc2)C(=O)O)NCC(O)c3cc(NS(=O)(=O)C)c(O)cc3	696
+c1cc(ccc1CCC(NCCc2cc(OC)cc(OC)c2)=O)F	697
+c1cc(ccc1C(C)CNC(C)=O)C#Cc2ccc(cc2)OCCC	698
+c1cc(ccc1Br)C(CC(NC)=O)c2ccc(cc2)Cl	699
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)(NCc4ccccc4)C(=O)NC(C)C	700
+c1cc(ccc1F)Cc2cnc3c(c2)N(C(C(C(=O)NCCOCC)=C3O)=O)CCNC(C)=O	701
+S(c1c(C(=O)NC)cc(cc1)C)c2csc3ccccc23	702
+c1cc(ccc1)COc2cc(c(Br)cc2C(=O)NCCCOC)OCc3ccccc3	703
+C(NCCCSc1ncco1)(NCC)=C[N+]([O-])=O	704
+c12c(C(=O)N(C1=O)CCN3C(=O)C(C(NCCOCC)=O)=C(O)c4c3cc(cn4)Cc5ccc(cc5)F)cccc2	705
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3CCCC(c4ccccc34)NC(CN(C)C)=O	706
+FC(F)(F)c1ccc(c(Cl)n1)C=CC(NCc2cc(F)c(cc2)NS(=O)(=O)C)=O	707
+C1CC(CCC1NC(C2CC2)=O)Oc3ccc(cc3)C(OCC)=O	708
+c1ccccc1C(C(NC(c2ccc(cc2)OCC(C)CCC)CN=[N+]=[N-])=O)C	709
+c1ccccc1CC(NC(=O)Cc2c3c(ccc(O)c3)[nH]c2)c4n(Cc5ccccc5OC)ccn4	709
+ClC1(Cl)C(C(NCC)=O)(C)C1	710
+C1(COCC(C)N1CCNC(C2CCCCN2c3nc4c(cccc4)o3)=O)C	711
+CC(C)(CO)NC(=O)C(Oc1ccc2c(cc(Br)cn2)c1)SC	711
+FC(F)(F)COc1cnc(C(C)NC(Cc2ccc(cc2)-c3c(C4CC4)nccn3)=O)cc1	711
+C1CN(CCO1)CC(C)(C)NC(=O)Cn2nc(-c3cn(nn3)Cc4ccc(cc4)OC)cc2Cc5ccc(cc5)F	712
+CC(C)CCNC(CN1C=CC=C(C1=O)NC(=O)OCc2ccccc2)=O	712
+CC(C)(C)NC(=O)C1(CCC1)c2cc3c(nc(nc3C(N4Cc5ccccc5C4)=O)N)cc2	713
+CC(C)(C)OC(N(CC(NCC)=O)CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F)=O	713
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(c3ccc(c(c3)F)CNS(=O)(=O)C)C	713
+N(C)C(CC1N(C(=O)c2cc3NC(=O)COc3cc2)c4ccc(cc4OC1)Br)=O	713
+c1c(F)c(c(cc1)F)Cc2c(N(CC(=O)NCC)S(=O)(=O)c3cc(OC)c(OC)cc3)c(OC)ccc2	713
+c1cc(ccc1S(=O)(=O)Nc2ccccc2Oc3ccc(Cl)cc3Cl)C(NCC(NCCCCC(N)C(OC)=O)=O)=O	713
+CC(C)C(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	714
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3c4ccccc4C(NC(=O)CCl)CCC3	715
+CC1(C)OC(=O)Nc2c1cc(-c3n(c(cc3)C#N)CC(NCCc4ccc(OC)c(OCC)c4)=O)cc2	716
+c1cc(ccc1)COC(=O)NC(CCCCCC(NC)=O)c2oc(cn2)-c3cc4c(cccc4)nc3OC	716
+C(N(C)c1n[nH]c2ccc([N+]([O-])=O)cc12)C(NC)=O	717
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C	717
+C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O	718
+C1CC(CCC1O)Nc2nc3c(c(ccc3cn2)C)OCC(=O)NC	719
+CC(C)(C)OC(NCC(=O)NC(C(=O)NC)Cc1ccccc1)=O	719
+CC(C)(C)C1CCC(CC1)C(NC(CC)c2nnc(-c3cc(ccc3)[N+](=O)[O-])nc2O)=O	720
+C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O	721
+c1cc(ccc1-n2c(nc3c2ncnc3NC4CCCN(C(NCC)=O)C4)-c5c(cccc5)Cl)Cl	722
+CC1CN(CC(C)O1)CCNC(=O)Nc2nc3c(cc(cc3)SC#N)s2	723
+FC(F)(F)c1nc(c(cc1)CNC(Nc2cc3CCCc3nc2)=O)N4CCC(CC4)C	724
+c1cc(ccc1F)-c2c3c(ncnc3sc2)OCCCOc4cc(ccc4)NC(=O)NCC	725
+C1CN(CCN1c2nccc(NC(=O)NCCC)c2)CC	726
+c1(NC(NCCCCC)=O)cc2C(=O)N(Cc3ccc(c(c3)Cl)Cl)C=Nc2cc1	726
+c1(cc2c(ccc(c2)NC(NCC)=O)nc1O)C(=O)O	726
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)NC(=O)NC)C	726
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(=O)OC	727
+CC(C)(C)OC(=O)NC(c1cccc(c1)[N+](=O)[O-])C	728
+CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O	728
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	729
+c1cc(ccc1)COC(=O)NC(c2ccccc2OC)CCC=C	729
+C1CCCCCN1CCN2CCC(CC2)NC(c3[nH]c4cccc(OCc5cocc5)c4c3)=O	730
+CC(C)(C)NC(c1cc2c([nH]1)ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)=O	731
+Cc1cc(cc(C)c1O)CNC(c2sc(c3c2CC4C(C)(C)C34)C)=O	732
+O(c1ccn2c(c1)nc(C)c2C(=O)NC)C	733
+C1CC(CCO1)CC(C(Nc2sc(C(=O)NC)cn2)=O)c3ccc(cc3)S(=O)(=O)C	734
+C1CN(CCC1NC(=O)c2cc(-c3sccc3)on2)CCSc4nc5cc(ccc5nc4)OC	735
+CC(C)(C)C(NC(c1nn(c2C3CC3Cc12)-c4cc(Br)ccn4)=O)CO	736
+[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12	737
+CC(C)C1C2C3C(C1CC2)CCCC3NC(=O)c4c(F)n(nc4C(F)F)C	738
+FC(F)(F)C(CC(C)(C)c1c(OC)ccc(F)c1)(CNC(=O)c2cnn(c2N)-c3ccc(cc3F)F)O	739
+FC(F)(F)c1cc(n(n1)-c2c(cccn2)Cl)C(Nc3c(C(=O)NC)cc4c(nsn4)c3Cl)=O	740
+c1ccccc1CC(NC(=O)c2cccnc2-n3cc4ccccc4n3)C(O)C(=O)OCC	741
+[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12	742
+C1CN(CCN1c2ccc(C(NC)=O)cn2)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3	743
+C1CN(CCO1)Cc2ccn(-c3c(C(=O)NC(Cc4ccccc4)C(C(=O)N)O)cccn3)n2	743
+CC(C)(c1ccc(cc1)CNC(=O)c2c(Oc3ccc4nsnc4c3)nccc2)O	743
+FC(F)(F)c1n(C)c2cc(ccc2c1C(NC)=O)OC	743
+c1cc(ccc1)C(CC)NC(c2c3n(cc2)CCOC3)=O	743
+C1CN(CCC1CNc2[nH]c3cccc(C(=O)NC(C)C)c3n2)Cc4cc(Cl)cc(c4O)Cl	744
+O=C(NC1c2c(cccn2)C(N=[N+]=[N-])C(c3c(c(ccc3)F)F)CC1)c4cnc5c(c4)CC6(c7cccnc7NC6=O)C5	744
+FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(Oc3cc(cnc3N)C(NC)=O)C2)=O	745
+FC(F)(F)C1(c2c(N(C(=O)N1)Cc3ccc(cc3)OC)ccc(c2)Br)CNC(c4ccc(cc4)F)=O	746
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(Cl)cc(cc2)Cl)=O)N3CCOCC3	747
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(cc4C)C(NC)=O	748
+c1c(ccc(Oc2cc(C(NC)=O)ccc2[N+]([O-])=O)c1F)F	748
+c1cc(ccc1-c2[nH]c(-c3ccccn3)c(-c4ccc5c(c4)OCO5)n2)C(NC)=O	748
+c1cc(ccc1C#CCc2ccc3C(C)(C)CCC(C)(C)c3c2)C(=O)NCC	748
+c1cc(ccc1CCCCOCCCCBr)C(NCc2c(CC)nc3n(ncc3c2NC4CCN(CC4)C(=O)N)CC)=O	748
+c1ccccc1C(c2ccc(cc2)C(=O)NCCCCCCCCCCC(O)=O)=O	748
+CC(C)(C)OC(=O)COc1c(Cl)ccc(c1)C(NCC(O)CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3C)=O	749
+CC(C)CC(Sc1ccc(cc1)Br)c2ccc(cc2)C(NCCC(=O)OC)=O	749
+Cc1nc(C(N2CC3C(C2CNC(=O)c4c5C=CCOc5ccc4)C3)=O)c(s1)-c6cccc(c6)C	749
+c1c(cc(cc1)OC)CCNC(c2cc(cc(c2)-c3ccccc3OC)-n4nnnc4)=O	749
+c1cc(ccc1C)-c2cc(cc(-n3nnnc3C)c2)C(=O)NC(COC)C	749
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(NCCCCCCC(OC)=O)=O	749
+CC(C)(C)OC(=O)N(C)C(CNC(=O)c1cccc(C(OCCNC(OC)=O)c2cc(Cl)ccc2)c1)CC3CCCOC3	750
+CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12	750
+C1CC(CCN1C(=O)OCC)NC(=O)c2c(Oc3c(cc(Cl)cc3)Cl)cccc2	751
+c12ccc(cc1n[nH]c2)C(NC)=O	751
+CC(C)(C)OC(N1CC(CNC(=O)c2ccccc2)CC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C1)=O	752
+CC(C)(C)OC(N1CCc2n(CCNC(=O)c3ccccc3)c4ccccc4c2CC1)=O	752
+c1cc(ccc1CCCCOCCCCBr)C(NCc2c(CC)nc3n(ncc3c2NC4CCN(CC4)C(=O)N)CC)=O	752
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	753
+CC(C)(C)OC(=O)NCC(c1cc(cc(Br)c1)F)NC(c2c(F)cc(-c3c(ncc(C4CCOCC4)n3)N)cc2)=O	753
+CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1	753
+CC(C)(C)OC(N(c1ccc(cc1)C2CCCCC2)Cc3ccc(cc3)C(=O)NCC(C(=O)OC)O)=O	753
+O=S(=O)(c1cccc2nsnc12)Nc3c(C(=O)NCC(c4cc(Cl)c(cc4)Cl)C)cc(Cl)cc3	753
+O=C(n1ccc2cc(Oc3ncnc(N)c3)ccc12)NC	754
+o1c(-c2csc(c2)Cl)cc(C3CC4CC4N3C(=S)NC)n1	755
+c1cc(ccc1C2CC(CNCCO)CCC2)Cl	756
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F	757
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br	758
+c1ccccc1C(c2ccccc2)N3CC(C3)(NCc4ccccc4)CNC(C)C	758
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br	759
+c1ccccc1C(c2cc(OC)cc3c2cc[nH]3)CCNC	759
+C1CC(CCN1c2ccccc2OC)CNCC3COc4ccccc4O3	760
+Fc1cc(cc(F)c1)OCCNC	760
+c1(ccccc1OC)OC(CNCCCc2c3cc(ccc3[nH]c2)F)C	760
+c1cc(ccc1Cl)CCNCC(O)C	760
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F	760
+c1ccccc1C(n2ccc3ccccc23)CCNC	760
+C(CC(NCCC)CC(=O)N)CCCCCCCCCCC	761
+C1CCCCC1C2(COC2)CNC	762
+c1cc(ccc1CCNCC2Cc3c(CC2)cccc3)OC	762
+C1CN(CCC12CC(C(C2)NCc3nc4c(SCC(N4)=O)cc3)O)c5ccnc6ccc(nc56)OC	763
+CC(C)(C)n1nc(cc1CC(C)C)CNCCN2CCN(CC2)c3c(C)cc(C)cc3	763
+O=S(=O)(n1cc(c(F)c1-c2ccccc2)CNC)c3cnccc3	764
+FC(F)(F)c1cc(ccc1CNC2CCN(CC2)c3c4c(cccc4)c(nn3)-c5ccnn5C)F	765
+O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCNCc1ccccc1	766
+c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1	767
+c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1	768
+c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2	769
+O=S(=O)(C)c1c(ccc(Br)c1)CNC	770
+c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2	770
+c1cc(ccc1CNC)C(=O)c2ccccc2	771
+c1ccccc1SC(CNC=O)c2c3ccccc3ccc2OC	772
+c1cc(ccc1)C(C(c2cccc3ccccc23)O)CNC	773
+FC(F)(F)c1cc(n(n1)C)Oc2cccc(CNC)n2	774
+c1cc(ccc1)CN2CC(NC)C(c3cc(c(Cl)cc3)Cl)C2	775
+c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC	776
+C1CNCCC1=C(c2cccnc2)c3ccc(cc3)F	777
+c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC	778
+C1CCCC1N2C(CC)C(=O)N(C)c3cnc(nc23)-c4c(cncc4)CNS(=O)(=O)C	779
+O=S(=O)(NCCOCCOc1ccc2c3c(c(nc2c1)N)nc(CCC)s3)C	779
+C1CCCCC1S(=O)(=O)NCCc2cc(cc(CCC(OCC)=O)c2)Cc3cccnc3	780
+c1cc(ccc1)CS(=O)(=O)NC2CCC(CC2)c3nc(c([nH]3)-c4cc5OCOc5cc4)-c6nc(ccc6)C	781
+O=S(=O)(c1cccc(-c2nc(nc(NCCc3ccc(cc3)OC)c2)OC)c1)NCC	782
+CC1(C)C(N(c2ccc(OCCCNS(=O)(=O)c3ccccc3[N+]([O-])=O)cc2N(C)C1=O)CC)=O	783
+O=S(=O)(c1ccc(cc1)O)NCC(N2CCN(CC2)C(OCc3ccccc3)=O)C(OC)=O	784
+CC(C)(C)OC(=O)N1C(CC(Nc2ccc(cc2[N+](=O)[O-])Br)C1)CO	785
+FC(F)(CNc1ccc(C#N)c(c1F)CC(=O)OCC)c2ccc(cn2)C	785
+c1cc(ccc1-c2cnnc(NCCO)c2)F	786
+Clc1ccc(c(Cl)c1)-c2c(c(NC(CCC)C)ncc2)[N+]([O-])=O	787
+n1c(-c2ncccc2)c(cc3ccsc13)C(C)Nc4c5[nH]cnc5ncn4	788
+CC(C)(C)OC(NCCNc1c2c(ncc1[N+](=O)[O-])cc(OCc3ccccc3)cc2)=O	789
+CCNc1c(C#N)c(O)nc(C)c1	789
+c1cc(ccc1)-c2cc(NC(C)CCCN(CC)CC)c3c(cccc3)n2	789
+CC(C)c1nc(O)c(c(NCC)c1)[N+](=O)[O-]	790
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nc(C)no4)c2-c5ncccc5)F	791
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nnc(o4)C)c2-c5ncccc5)F	791
+C1CC(CCC1C(=O)OCC)Nc2nccc(-n3ccc4c3cccc4Br)n2	792
+C1CC1c2cc([nH]n2)Nc3c(Cl)cnc(NC(c4ccc(F)cn4)C)n3	793
+FC(F)(F)Cc1sc2ncnc(NCC3CCN(CC3)C(=O)OC(C)(C)C)c2c1	794
+C1CC(CCN1Cc2ccc(OC)c(OCC)c2)Nc3nc(nc(c3)C)N	795
+FC(F)(F)C(C1CCC(CC1)Nc2ncnc(c2Cl)CC)O	796
+c1ccccc1-c2c(nc(SC)nc2)NC	797
+CC(C)(C)OC(=O)Nc1c2c(ncn1)n(-c3cccc(c3)NC)c(c2-c4ccc(cc4)Cl)Cl	798
+CC(C)(C)OC(Nc1c2c(ncn1)n(-c3ccc(cc3)NC)nc2I)=O	798
+O=C(NNc1ccc(cn1)F)N2C(C)CCCC2	799
+c1(C(=O)NCC2N(CC2)C(=O)CO)cc(F)c(nc1NCCc3cccc(F)c3)-c4cnn(C)c4	800
+FC(F)(F)c1ccc(cc1)-c2nnc(N3CCN(C(C)C3)C(N4CCC(CC4)(F)F)=O)c5c2ccnc5	801
+FC(F)(F)c1ccc(cc1)NC(N2CCCC2c3c(Cc4ccc(cc4)Cl)c(C)no3)=O	802
+FC(F)(F)C(=O)NCC1N(C(c2c(sc(N)n2)-c3cc(F)ccc3)=O)C4CCC1C4	803
+c1cc(ccc1-c2ccc(cc2)C3C(CCN4C(C)CCC4)C3)C#N	804
+C1(N(CCOC1)Cc2cc(c(Br)cc2F)F)C	805
+CC1(C)COCC(C)(C)N1N	806
+CC1(C)N(N)CCN(C1)S(=O)(=O)C	807
+CC(C)(C)OC(=O)N(C(C)C(NC(C(=O)N1CCC2N(CC(C(=O)OC)C12)S(=O)(=O)C)C3CCCCC3)=O)C	808
+C1C2CC3CC1CC(C2)(C3)NC(N4CC5(C4)CCN5S(=O)(=O)c6ccc(cc6)Cl)=O	809
+FC(F)C1(c2cccc(c2F)F)COCC(=N1)N	810
+C(C)OC(N1CCc2c(ccc3CCC(OC)c23)CC1)=O	811
+C1CN(CCN1c2ccc(cc2F)C(C)OC)C(=O)c3cc(S(=O)(=O)C)ccc3N4CCCCC4	811
+O1CCOC12CCC(CC2)(OC)c3c(Cl)cccn3	812
+c1ccccc1CC(C(OC)=O)O	813
+CC(C)OC(Cc1c(cc(cc1)[N+](=O)[O-])[N+]([O-])=O)=O	814
+c1cc(ccc1F)C(c2ccc(cc2)F)(CCCBr)C(OCC)=O	814
+C(OCCOCC=CCBr)COCCOCCC(=O)OC	815
+c1ccccc1COc2ccc3n(ccc3c2)CCC(OC)=O	816
+c1cc(ccc1N2CCN(CC2)C(OCCN(C)C)=O)[N+]([O-])=O	817
+FC(F)(F)C(C)OC(N1CCC(CC1)C2(Oc3cnc(cc3C2)-c4ccc(cc4)S(=O)(=O)C)C)=O	818
+c1cc(ccc1-c2nocc2NC(=O)OC(c3c(cccc3)Cl)C)CCCl	819
+CC1(C)CCSc2ccc(cc12)C#Cc3ncc(cc3)C(=O)OCC	820
+C(C)C(CC)CC(OC(c1ccc(cc1)OC(=O)C)=O)C	821
+S1c2cccc(c2C(c3c1ccc(C)c3)=O)C(=O)OCCCCCCCCCCCC	821
+c1(nccc(c1)C(=O)OC)N2NC=C(c3cnccc3)C2=O	822
+C1CCC(C1)C2N(c3ccc(C#N)c(Cl)c3)N=C4C2CCc5cc(C(OCCCCCCC)=O)ccc45	823
+C1(=O)c2ccc(cc2Sc3ccc(cc13)C)C(=O)OC	824
+C1COC(O1)(C=CC2C3C(OC(=O)C3)CC2OC4OCCCC4)COc5cc6c(cccc6)cc5	825
+c1cc(ccc1CCCOC)Cl	826
+O(CCc1cc([N+]([O-])=O)ccc1Br)C	827
+CN(C)c1cc(COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4)ccc1	828
+CC(C)(C)OC(N1CCCC(Cc2c(F)cccc2)(C1)COC)=O	829
+C(OCc1ncccc1)c2cc(ccc2)-n3cnc(C(=O)OCC)c3	830
+c1ccccc1COC(N(C)CC(=O)N(C)c2ccc(cc2)COC)=O	831
+c1(cc(cc(C)c1[N+](=O)[O-])COCC)C	832
+c1ccccc1C(c2ccc(cc2)COCCN(CC)c3ccccc3)=O	833
+c1cc(ccc1N(C)CCOC)C(OCC)=O	834
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(CC(CC2)OS(=O)(=O)C)F	835
+CC(C)C(C(C)C)(OOC(CN=[N+]=[N-])COS(=O)(=O)C)P(O)(O)=O	835
+CC(C)(OC1OCCCC1)c2c(cccc2)CCC(c3cc(ccc3)C=Cc4nc5c(ccc(Cl)c5)cc4)OS(=O)(=O)C	836
+O=S(=O)(OCCc1ccc(cc1)CCCCCCCC)C	837
+c1cc(ccc1NC(=O)C)CCCCOS(=O)(=O)c2ccc(cc2)C	838
+CC(C)(C)c1c(cc([N+](=O)[O-])cc1)OC	839
+C(CCN(C)c1c(cnc(Cl)n1)F)Oc2cc3c(n(CC(OC)=O)cc3)cc2	840
+CC(C)(C)OC(NC(C(=O)OC1CCCC1)CCOc2cccc(c2)[N+]([O-])=O)=O	840
+C1CC(CCC1C2CCC(CC2)COc3cccc(F)c3F)C=C	841
+c12c(cccc1)ccc(c2)OCCCCCCCCCl	841
+c1cc(ccc1OCC(C#N)(CCCC)C)O	841
+CC(C)N1N=C(Br)c2ccc(OC)cc2C1=O	842
+CC(C)N1N=C(Br)c2ccc(OC)cc2C1=O	843
+FC(F)(F)Cn1nc(c(c1)-c2ccncc2)-c3ccc(cc3)OCc4nc5c(cccc5)n4CF	844
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc3CC4(CCN(CC4)Cc5ccccc5)Cc3c2)=O	845
+C1CC(CCN1C(C)C)Oc2nc3CCN(Cc3cc2)Cc4ccccc4	846
+FC(F)(F)C(Oc1nncc2cc(Br)ccc12)C	847
+c1(-c2cc(cc(-c3ncccc3)n2)OCC)ncccc1	848
+c12c3c(ccc1cccn2)c(cc(C)n3)OCC	848
+FC(F)(F)c1c(Br)c(ncn1)OCC	849
+c1cc(ccc1-c2ccc3c(c(OCC)ncn3)c2)F	849
+C(C1CC1c2ncc(OC)cc2)Oc3nc(C)ncc3Br	850
+c1cc(ccc1)CN2CC(OCC2)C3(OCCO3)C	851
+O=S(=O)(C)OCCC1(C(=O)N2CC=CC(C(OC)=O)N2C1=O)C	852
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)C)CC1C(=O)OC	853
+CC(C)(C)OC(N1CC(c2ccccc2)CC1COS(=O)(=O)C)=O	854
+FC(F)(F)c1cccc(N2C(c3c(non3)NCCOS(=O)(=O)C)=NOC2=O)c1	854
+CC(C)(C)OC(=O)C(C(CCc1ccc(cc1)I)OCc2ccc(cc2)OC)CCOS(=O)(=O)C	855
+O=S(=O)(OCCN1C(c2cc(Br)sc2C1(C)C)=O)C	855
+O=S(=O)(OCCOCCCCCCN1CC(OC1=O)c2cc3c(cc2)OC(C)(C)OC3)C	855
+O=S(=O)(C)OCCCn1cnc2ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)cc12	856
+O=S(=O)(OCCC1n2cc(I)cc2C(=O)NC1)C	857
+c1(cc(cc(F)c1)C(C2CCN(CC2)S(=O)(=O)C)CC(OC(C)C)=O)F	858
+c1cc(ccc1F)C(NC2CCN(CC2)S(=O)(=O)C)=O	859
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(ccc(F)c2Cl)F)=O)C3CCCCN3C	860
+O=S(=O)(CCC)N1CCC(CC1)(c2ncccc2)C#N	860
+FC(F)(F)COc1ccc(cc1)N2CCN(CC2)S(=O)(=O)C	861
+CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCN(CC3)S(=O)(=O)CC)cn2)c4ccccc14	862
+O=S(=O)(CC)N1CC=C(c2nc(c(N)nc2)-c3noc(n3)-c4ccccc4)CC1	863
+CC(C)(C)OC(NC1CCc2c(cc(cc2)CNS(=O)(=O)CCC)C1Cc3ccccc3)=O	864
+O=S(=O)(CC)Nc1c(F)c(C(=O)c2c[nH]c3ncncc23)ccc1	865
+c1ccccc1P(c2ccccc2)(=O)c3ccc4c(cccc4)c3-c5c6c(ccc5NS(=O)(=O)C)cccc6	866
+C1CC1(CC=C)S(=O)(=O)Nc2c(c(F)c(cc2)F)Nc3c(cc(I)cc3)F	867
+O=S(=O)(C)OCCOc1ccc(-c2ccccc2F)nc1	868
+C1CCCCC1C(c2n(-c3ccc(cc3)Cl)nc4CCCc24)COS(=O)(=O)C	869
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COS(=O)(=O)C)=O	870
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COS(=O)(=O)C)=O	871
+FC(F)(F)c1cc(c(COS(=O)(=O)C)cc1)Oc2cc(C#N)ccc2	872
+O=S(=O)(C)OCCOc1ccc2c(ccnc2c1)-c3c4n(nc3-c5ccccn5)CCC4	873
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(CSC)C3CCCCC3	874
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(CSC)C3CCCCC3	875
+CC(C)(C)OC(=O)NC(CSC)C	875
+c1cc(ccc1O)CSCCC(=O)OCC	876
+CC(C)(C)[Si](C)(C)OCCOCc1nccs1	877
+CC(C)(C)[Si](C)(C)OCCCc1ncsc1	878
+CC(C)(C)[Si](C)(C)OCc1[nH]c2ncccc2c1	879
+CC(C)(C)[Si](C)(C)OCc1cc(Cl)ncc1	880
+CC(C)(C)[Si](C)(C)OCCOCc1nccs1	881
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)-c2ccccc2[N+]([O-])=O	882
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)Cc2c(sc(c2)Br)Cl	882
+CC(C)[Si](C(C)C)(C(C)C)OC1=CCC(CC1)c2c(cc(c(F)c2)F)F	883
+CC(C)[Si](C(C)C)(C(C)C)OCC(COCc1ccc(cc1)Br)C	884
+CC(C)[Si](C(C)C)(C(C)C)OCC1(CCCCC1)N	885
+c1cc(ccc1Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O)C#N	886
+c1(ccc2Cc3c(-c2c1)n(C)c4ccccc34)OC	887
+CC(C)=CCCc1cc(n[nH]1)C(OCC)=O	888
+c1cc(ccc1CCc2cc(C(OCC)=O)[nH]n2)OC	889
+c1cccc(c1-c2noc(c2)CO)F	890
+c1cc(ccc1-c2noc(C(C)O)c2)F	891
+c1cc(ccc1)C(c2ccccc2)n3c4ccc(Cl)cc4cc3CCNS(=O)(=O)Cc5cc(c(cc5)Cl)Cl	892
+CC(C)(C)OC(=O)N(CCCc1cc2cc(ccc2[nH]1)C(Nc3ccc(c(OC)c3)OC)=O)C	893
+FC(F)(F)c1c(cc2cc([nH]c2c1)C(CSCC)(C)O)C#N	894
+CC(C)c1cc(Cl)nc(-c2ccc(cc2)Cl)n1	895
+c12[nH]c(C)cc1cc(cn2)F	896
+c1cc(ccc1S(=O)(=O)OCC(C)(C)CS(=O)(=O)N)C	897
+c1cc(ccc1C)S(=O)(=O)OCCCCCC2CCN(CC2)C(=O)OCc3ccccc3	898
+c1cc(ccc1S(=O)(=O)OCC(F)(F)c2ncccc2)C	898
+CC(C)(CCCOS(=O)(=O)c1ccc(cc1)C)NC(=O)OCc2ccc(cc2)[N+]([O-])=O	899
+CC(C)c1ccc2nc(cn2n1)C	900
+CC(C)c1ccc2nc(cn2n1)C	901
+c1cc(ccc1F)Oc2ccc(cc2)CCNc3ncc(c(O)n3)Cc4cnc(nc4)OC	902
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(cc3Oc4ccccc4)Br)sc2	903
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(cc3Oc4ccccc4)Br)sc2	904
+ClC(Cl)(Cl)c1onc(Cc2ccccc2)n1	905
+c1ccccc1-c2nc3cc(ccc3cc2)-c4nc(n5ccnc(Cl)c45)C	906
+FC(F)(F)c1cc(-c2[nH]c(C3CCC(CC3)CNC(OCc4ccccc4)=O)nc2)ccc1	907
+c1cc(ccc1)-c2csc(CC3(CCC3)COCc4ccccc4)n2	908
+CC(C)(C)OC(=O)NC(C(c1onc(-c2c(Cl)cc(cc2)NS(=O)(=O)C)n1)C)C(=O)N3CCCC3	909
+c1(-c2noc(n2)C)cc(N)c(C)cc1	910
+CC(C)(C)c1cc(cc2c1OCC2(C)C)-c3noc(C)n3	911
+[nH]1c(CCCCCCC(OC)=O)nc2cc(ccc12)Br	912
+c1cc(ccc1)COC2CC(C2)c3[nH]c4c(cccc4)n3	913
+CC(C)(C)OC(N1C2C(C2)CC1c3[nH]c4c(n3)ccc5cc(ccc45)Br)=O	914
+C1CCC(C1)Oc2cc(ccc2OC)Cc3nc4cccc(c4o3)[N+](=O)[O-]	915
+c1(nc2c(c(Cl)c1)cc(cc2)Br)C	916
+FC(F)(F)c1c(-c2cc3c(cc2)c(nc(C)n3)O)nccc1	917
+c1cc2c(c(Cl)cc(n2)C)cc1I	918
+c1ccccc1C(CCCCCn2c3c4ccccc4ncc3nc2CCCC)=O	919
+c1ccccc1OCCn2c(CCCC)nc3cnc4c(cccc4)c23	919
+CC(C)(C)OC(=O)NCCCCn1c2c3c(cc(cc3)OCc4ccccc4)ncc2nc1CCOC	920
+c1cc(ccc1)Oc2nc(c(C)c3n(CCOCCCc4sccn4)c(nc23)COCC)C	920
+c1ccccc1COc2ccc3c(ncc4nc(n(CC(C)(C)NS(=O)(=O)C)c34)COCC)c2	921
+C1CC(CCC1Cc2cc(N)n3nccc3n2)C(OCC)=O	922
+CCCCc1cc(n2c(ccn2)n1)NC	923
+c1(F)cccc(F)c1-c2c(N)n(nc2C)C	924
+c1cc(ccc1F)-c2c(Br)c(nn2C)C	925
+FC(F)(F)C(NCCc1cccc(c1)-n2c(N)cc(C(C)(C)C)n2)=O	926
+O=S(=O)(C)C1CN(c2cc(C)nn2-c3cc(Cl)ncc3)C(C1)C(=O)OC	927
+FC(F)(F)C(c1ccc(cc1)-n2c(N)cc(n2)C)O	928
+n1c2CCNc3c(c(F)ccc3)-n2c(C)n1	929
+n1c2CCc3c(c(F)cc(Br)c3)-n2c(C)n1	930
+CC(C)(C)OC(=O)NCCc1oc(C)nn1	931
+FC(F)(F)C(c1nnc(N)o1)(O)C	932
+C(c1nnc(N)o1)CCCCCCCCCCCC	933
+C(C)(Oc1c(Cl)cccc1)c2nnc(N=C=O)s2	934
+CC(C)(C)Cc1nnc(-c2ccc(cc2)[N+](=O)[O-])o1	935
+c1cc(ccc1C#N)-c2nnc(C(Nc3c4c(cccc4)c(C#N)cc3)C(C)O)o2	936
+CC(C)(C)OC(NC(C)c1c(c(c2c(ccc(c2)F)n1)-c3nnc(C)o3)-c4ncccc4)=O	937
+FC(F)(F)c1ncc(cc1)Cc2n3c(nn2)cc(c(Br)c3)-c4ccc(cc4)Cl	938
+c1cc(ccc1CN2C(c3c(ccc(Cc4nnc5ccc(-c6cccnc6)nn45)c3)N=C2)=O)OC	939
+c12c(Cl)nc3c(n1c(CC)nn2)cccc3	940
+c1cc(ccc1)Cn2nnnc2C3CCCN3C(=O)OCc4ccccc4	941
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)-c2cc(Cl)ccc2)c3n(nnn3)CCC#N	942
+C1CC1c2c(cc(c(F)c2)[N+]([O-])=O)-n3c(nnn3)C(C)C	943
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)c2[nH]nnn2	944
+CC(C)(C)OC(=O)NC(c1[nH]nnn1)Cc2ccc(cc2)-c3cc(Cl)ccc3	945
+c1cc(ccc1S(=O)(=O)N2C(c3ccc(cc3)F)CCC2c4nnn[nH]4)C	946
+CC(C)(C)OC(=O)NC(c1[nH]nnn1)Cc2ccc(cc2)-c3cc(Cl)ccc3	947
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(COCc3ccccc3)on2	948
+C1CN(CCC12CC3(C2)Cc4cc(C=5CCN(S(=O)(=O)C)CC=5)ncc4O3)c6nc(no6)CCC	949
+CC(C)(C)C(=O)NCc1c(F)c(c(cc1)F)Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(OCC(F)F)cc3n2C	950
+CC(C)(C)C(=O)NCc1c(F)c(c(cc1)F)Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(OCC(F)F)cc3n2C	951
+C1CC1C(=O)N2CCC(Cn3c(-c4ccc(cc4)Br)nc5c3cc(F)cc5)C2	952
+n1(CCO)cnc2cccc(Br)c12	953
+c1c(cc2n(cnc2c1)Cc3cncc(F)c3)Br	954
+CC(C)(C)OC(N1CCC(CC1)n2cnc3cnccc23)=O	955
+c1cc(ccc1OC)Cn2cnc3cnc(cc23)Br	956
+CCCn1cncc1CO	957
+CC(C)(C)OC(=O)N1CC(C1)n2c(ccn2)-c3c(ccc(c3)Cl)O	958
+CC(C)(C)OC(=O)N1CC(C1)n2nccc2-c3cc(ccc3O)C(F)(F)F	958
+CC(C)(C)c1cc2OC3(CCCCCC3)Cc2c(c1O)CC(=C)C	959
+O=S(=O)(NC1=C2OCCN2C(C(C)=C1Nc3c(F)cc(I)cc3)=O)C4CCC4	960
+c1cc(ccc1Sc2c(C(O)C=C)c(F)ccc2)F	961
+c1cc(ccc1Sc2c(C(O)C=C)c(F)ccc2)F	962
+C1CC1c2c(C)n3c(ccc(c3)N4C=CC(OCc5ccc(F)cc5F)=CC4=O)n2	963
+c1cc(ccc1CC=2C(N(c3n(ncn3)C=2CCC)C4CCC(CC4)OCC(C=C)=O)=O)-c5ccccc5C#N	964
+C1CN(CCN1C)c2nc(SC3CCN(CC3)C(=O)C=C)nc(c2)Nc4ncc(C#N)s4	965
+c1cc(ccc1Oc2ccccc2)-c3c(c(nn3C4CCCN(C(=O)C=C)C4)N)C(N)=O	965
+CC(C)(C)OC(Nc1cc(ccc1C=CC(N2CCN(CC2)Cc3ccc(cc3)F)=O)Cl)=O	966
+CN(C)c1ccccc1CN2CC(CC2)Nc3cnc(C=CC(NOC4CCCCO4)=O)cn3	967
+C1CN(CCO1)CCCOc2c(NC(=O)C=C)cc3c(c2)ncnc3N(C(C)=O)c4ccc(F)c(c4)Cl	968
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC(=O)C=C	968
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(c2c(F)c1)Oc4cccc(NC(C=C)=O)c4	968
+C(COC)Oc1ccc(Nc2nc(c(F)cn2)Nc3cccc(c3)NC(=O)C=C)cc1O	969
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCN(CC3)CCC4=C(N=C5N(C(=CS5)C)C4=O)C	970
+FC(F)(F)C(N1C(Cc2cc(c(cc2C(C)C1)Br)OCC=C)C)=O	971
+c1cc(c2c(c(C)co2)c1OCC=C)C(=O)c3sccc3	971
+C(c1c(c(C(=O)OC)ccc1Cl)O)C=C	972
+CC(C)(C)c1cc(O)c(cc1OC(C(C)(C)C)=O)CC=C	972
+c1cc(ccc1CCc2oc3c(c(c(cc3)CC=C)O)c2C)OC	972
+o1c2c(c(c1CC)C)c(O)c(cc2)CC=C	972
+CC(C)(C)OC(CC(=O)CC(O)C=CC(=C(c1ccc(cc1F)C)c2ccc(cc2F)C)c3n(C)nnn3)=O	973
+c1cc(ccc1C2C(C=C)C2)Br	974
+O=S(=O)(NCCOc1ccnc(Oc2c(cc(Cl)c(c2)Cl)I)c1)C=C	975
+O=S(=O)(NCCOc1ccnc(Oc2c(cc(Cl)c(c2)Cl)I)c1)C=C	976
+c12c(cc(C=C)c(c1)OC)cc(cc2)Br	977
+c1ccccc1C(CCN2CCC(CC2)CCCc3ccccc3)Cl	978
+c1cccc2C=Cc3ccccc3C(c12)Cl	979
+c1ccccc1C(CCl)CN2CCOCC2	980
+c1ccccc1COc2c(ccc(OCc3ccccc3)c2)CCl	981
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4cc(Cl)[n+]([O-])cc4	982
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4ccnc(c4)Cl	983
+C1CCCCN1CCOc2c3ccc(nc3c(cc2)Cl)Cl	984
+C1CCCCN1CCOc2c3ccc(nc3c(cc2)Cl)Cl	985
+FC(F)(F)C(=CC(=O)c1cc2c(s1)cccc2Cl)c3cc(Cl)cc(Cl)c3	986
+FC(F)(F)C1(CC(=NO1)c2cc3c(cccc3Cl)s2)c4cc(Cl)cc(Cl)c4	987
+FC(F)(F)C1(CC(=NO1)c2cc3c(cccc3Cl)s2)c4cc(Cl)cc(Cl)c4	988
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(c4ccccc34)Br	989
+O=S(=O)(n1c2c(cc(cc2)CC[N+](=O)[O-])c3cc(cnc13)Cl)c4ccccc4	990
+CC(C)(C)OC(=O)CCC=1[N+](=O)C(=C=[N-])C=CC=1	991
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	992
+FC(F)(F)c1cccc(N2C(=NOC2=O)c3nonc3NCCN=[N+]=[N-])c1	993
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	993
+N1CC(CN=[N+]=[N-])c2c1cccc2	993
+N(=[N+]=[N-])CC1OC(N2C=C(I)C(N)=NC2=O)CC1O	994
+[N-]=[N+]=NCC1OCN(C1)c2ccc3C(N4C(=Nc3c2)C(c5cc(ccc45)F)=O)=O	994
+c1ccc2c(c1)c3c(cccc3)n2CCCN=[N+]=[N-]	994
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	995
+[N-]=[N+]=Nc1c2c(nc(-c3cc(F)ccc3)c1)ccc(c2)Br	996
+Ic1c(NC(Nc2c(cc(cc2)N=[N+]=[N-])O)=O)cccc1	997
+C1CC(CCC12CCC(CC2)C#N)O	998
+C1CC(CCC1(F)CO)(C#N)NC(=O)OCc2ccccc2	999
+c1cc(ccc1F)CN2c3ccccc3C(Cl)=C(C#N)C2=O	1000
+C1CC1C=C(C(N2CCCC2Cn3c4c(c(n3)-c5c(F)cc(cc5)Oc6cccc(F)c6F)c(N)ncn4)=O)C#N	1001
+c1cc(ccc1-c2nn(C3CN(CCC3)C(C(=CC4CC4)C#N)=O)c5ncnc(c25)N)Oc6c(cccc6)F	1001
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6c(ccc(F)c6)F	1001
+c1cc(ccc1-c2nn(C3CN(CCC3)C(C(=CC4CC4)C#N)=O)c5ncnc(c25)N)Oc6c(cccc6)F	1002
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6c(ccc(F)c6)F	1002
+C1COC2(O1)CCC(CC2)CC#N	1003
+C1Cc2ccc(nc2NC1)CCC#N	1004
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C4CCC(CC4)CC#N)nc3	1004
+c1c(cc(CCCC#N)c(F)c1)Br	1005
+c1cc(ccc1)CN2CCC(C2)CC#N	1005
+c1ccccc1COCC2C(CC=CC2)CC#N	1005
+C(c1c[nH]c2c([N+]([O-])=O)cccc12)C#N	1006
+FC1(F)Oc2cc(ccc2O1)CC#N	1007
+Brc1cc(cc(Br)c1)CC#N	1008
+FC1(F)Oc2cc(ccc2O1)CC#N	1008
+[N+](c1cc(CC#N)cc(Br)c1)([O-])=O	1008
+[N+](c1cc(CC#N)cc(Br)c1)([O-])=O	1009
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CC#N	1009
+Clc1cc(cc(Cl)c1CC#N)Cl	1010
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CC#N	1010
+C(Cc1cc2nccnc2cc1)#N	1011
+c1(I)cc(ccc1F)CC#N	1011
+C1CC(CCC1C(OC)=O)C#N	1012
+c1c2NC(CCc2cc(C#N)c1)=O	1013
+CC(C)(C)OC(CCc1cccc(C#N)n1)=O	1014
+CC(C)(C)OC(CCc1cccc(C#N)n1)=O	1015
+Nc1ncc(C#N)c(Cl)c1	1016
+N#Cc1ccc2C(=O)c3c(ccc(Br)c3)-c2n1	1017
+N#Cc1ccc2C(=O)c3c(ccc(Br)c3)-c2n1	1018
+c1cc(ccc1Cl)-c2c(nc(Cl)c(c2)C#N)-c3c(Cl)cccc3	1019
+c1cc(ccc1Cl)-c2c(-c3c(Cl)cc(cc3)Cl)nc(O)c(c2)C#N	1020
+[nH]1cc(c2c1ncnc2Cl)C#N	1021
+n1c2c(ccc1)cc(C#N)cc2	1022
+FC(F)(F)C1C(C(OCC)=O)=Cc2cc(C#N)ccc2O1	1023
+c1c(Nc2cncc(-c3ccccc3F)c2C#N)c(F)cc(I)c1	1024
+n1c2c(ccc1)cc(C#N)cc2	1025
+C1CC(CCC1)NC2CN(CC2)C(=O)OCc3ccccc3	1026
+FC(F)(F)S(=O)(=O)Oc1cc2c(C(CCC2)N=[N+]=[N-])cc1	1027
+CC(C)(C)OC(=O)NC1C(F)CN(C(=O)OCc2ccccc2)C1	1028
+CC(C)(C)OC(NC1CCOc2cc(ccc12)C#N)=O	1028
+FC(F)(F)c1ccc(cc1)C=Cc2nc(C(=O)Nc3ccc(cc3)CCCCn4ccnn4)co2	1029
+C1Cc2ccccc2C(c3c1cccc3)=CC4CN(CCO4)C(=O)OCC	1030
+FC(F)(F)C(=O)N(C)c1ccc2nc(oc2c1)C	1031
+c1cc(ccc1C#N)CCCNCCO	1032
+CC(C)(C)OC(=O)N1C(CNC(=O)C(F)(F)F)C2CCC1C2	1033
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1034
+N(C)c1ccc2nc(oc2c1)C	1035
+N(C)c1ccc2nc(oc2c1)C	1036
+CC(C)(C)OC(N1CC(c2c3cccc4CCCn(c2)c34)C(c5c[nH]c6c5cccc6)C1)=O	1037
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1038
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1039
+CC(C)(C)OC(=O)N1C(CC2CCCC12)CNCc3ccccc3	1040
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1040
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1041
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1042
+c1cc(ccc1C(OCC)=O)NCCOc2c3c(ccc2)cccc3	1043
+C1CC(CCC1C(OCCCC)=O)CN=[N+]=[N-]	1044
+C1CC(CCC1C(OCCCC)=O)CN=[N+]=[N-]	1045
+N(=[N+]=[N-])CC1C(C(O)C(n2c3c(c(nc(N)n3)O)nc2)O1)O	1046
+N(=[N+]=[N-])CC1NC(c2c(C1)cccc2)=O	1046
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(OCCN=[N+]=[N-])CC2COc4c(F)ccc(F)c34	1046
+C1CC1NCc2c(ccc(c2)Br)Cl	1047
+c1cc(ccc1NCc2cc(ccc2)OC3CCCCO3)OCCN4CCCC4	1048
+[N-]=[N+]=NCc1ccc2c(c1)OC(C=C2c3cc(F)ccc3)=O	1049
+N(Cc1ccccc1-c2nnsc2)=[N+]=[N-]	1050
+CC(C)(C)OC(=O)Nc1cnc(nc1Oc2c(cccc2)C)SC	1051
+FC(F)(F)C(Nc1ccc2nc(C)oc2c1)=O	1052
+[N-]=[N+]=Nc1cc(ccc1)OCC(=O)O	1053
+n1n2c(c(O)ccc2)nc1NC(OCC)=O	1054
+c12C(=O)c3c(ccc(Br)c3)-c1nc(cc2)C=NO	1055
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCc3cccc(C#N)c3	1056
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCc3cccc(C#N)c3	1057
+CC(C)CN1c2nn(Cc3ccnc4ccc(cc34)Cl)c(-c5n(C)ccc5)c2C(NC1=O)=O	1058
+c1c2c(OCCN2)cc([N+]([O-])=O)c1	1059
+C1OCC1N(C)Cc2n(C)nc(c2)NC3=CC(=CN(C)C3=O)Br	1060
+C1C(c2cccnc2)CC(N)C1	1061
+C1C2CCC(CC1N)N2Cc3ccccc3	1062
+c1ccccc1CC2CCC(CC2)N	1063
+Clc1cccc(c1)C(N)Cc2ncccc2	1064
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(N)c2cc1	1065
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(N)c2cc1	1066
+c1cc(ccc1)-c2c(F)cc(C(N)=NO)cc2	1067
+n1c2c(ccc1)cc(cc2)C(=O)N	1068
+NC(=O)c1c(Nc2ccc(I)cc2F)cncc1-c3ccccc3F	1069
+FC(F)(F)c1c(cnn1-c2ccc(Cl)cc2Cl)C(=O)N	1070
+NC1=C(N)C(NC(=O)N1)=O	1071
+C1(N(Cc2c(F)cccc2)C(C(N)=C(N)N1)=O)=O	1072
+c1c(ccc2c1C(Cl)=C(C#N)C(=O)N2C)F	1073
+c1ccccc1C(NC(C2CCN(CC2)C)=O)C(NC3CCCC(N4c5cccc(Cl)c5-c6noc(c6C4=O)C)C3)=O	1074
+C1CC(CCN1C(=O)C(NC(C2CC2)=O)C)CCc3c(nc(C)nc3N)Cl	1075
+c1cc(ccc1)C2C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4c(cccc4)O2)CC#C	1076
+c1ccccc1C2C=CCC(NC(=O)C(NC(=O)C(O)CC(C)C)CC(C)C)C(=O)N2CCOC	1076
+c1cc(ccc1)C2C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4c(cccc4)O2)CC#C	1077
+FC(F)(F)CSCC(=O)NC1C2N(C(C(O)=O)=C(COC)CS2)C1=O	1078
+C1CC(CCC1)CC(C(NC2C(O)CN(CCC)C(CC2)C)=O)NC(=O)c3occc3	1079
+C1CCCCC1C(C(=O)NC(C(O)c2nc3c(cccc3)o2)CC)NC(=O)c4ccc(cc4)-c5c(Cl)cccc5	1080
+C1CSCCN1C2(CC2)C(=O)N3C(C(NC4(CC4)C#N)=O)CC(S(=O)(=O)c5ccccc5Cl)C3	1081
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(N)=O	1082
+CC(C)(C)OC(=O)NC(C(N)=O)Cc1ccc(cc1)S(=O)(=O)c2ccccc2	1083
+c1ccccc1CN(Cc2ccccc2)C3COC(C(N)=O)CC3	1084
+c1(ccccc1F)-c2ccccc2CC(N)=O	1085
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCOCC(=O)N	1085
+CN(C)C(N(CCO)CCCc1ccc(cc1)C#N)=O	1086
+FC(F)(F)c1nc(C2(CCN(CC2)C(Nc3nc4c(ncnc4OC)s3)=O)O)ccc1	1087
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	1088
+O=S(=O)(C)c1cccc(NC(=O)Nc2ccc(cc2)Oc3ccnc4cc(c(cc34)C#N)OCc5ccccc5)c1	1089
+C1COCCN1c2c(C#N)c(-c3c(cc(cc3)Cl)Cl)c(s2)C(=O)N	1090
+FC(F)(F)c1cc(-c2c(C(N)=O)cc([nH]2)-c3ccnc(n3)N)c(Cl)cc1	1091
+c1(cc2c(cc1)cccc2[N+]([O-])=O)C(=O)N	1092
+FC(F)(F)Oc1ccc(cc1)-n2nc(-c3ccc(cc3)CCCNC(=O)NC(Nc4ccccc4CC)=S)nc2	1093
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)NC(=S)N)Cl	1094
+C1(=C(N(N(C1=O)c2ccccc2F)C)C)N	1095
+c1cc(ccc1)CN2CC(CC2)CCN	1096
+c1cc(ccc1Br)NCCN2CCCC2	1097
+C(Oc1cccc(N)c1)CN	1098
+O=S(=O)(n1c2c(cc(cc2)CCN)c3cc(cnc13)Cl)c4ccccc4	1099
+O=S(=O)(n1c2c(cc(cc2)CCN)c3cc(cnc13)Cl)c4ccccc4	1100
+c1c(cc(c(c1)CCN)Cl)Br	1100
+c1(OC)cc(CCN)cc(Br)c1	1101
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)CN)ccc(c1)Br	1102
+C1CC(CCC1CN)C(OCCCC)=O	1103
+c1ccc2ccc3c4c(ccc1c24)ccc3COCCCCCN	1104
+CC(C)(C)OC(N1CCN(CC1)CCCN)=O	1105
+FC(F)(c1c(Cl)cc(Cl)cc1)CN	1105
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	1106
+c1(cc(Oc2cc(c(cc2I)Cl)Cl)ncc1)OCCN	1107
+C1CC(CCC1CN)C(OCCCC)=O	1108
+C1CC(CCC1CN)C(OCCCC)=O	1109
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	1110
+c1c(c([N+]([O-])=O)ccc1)CCN	1111
+c1ccccc1COc2ccc(C(O)CN)c3SC(Nc23)=O	1111
+C1(C(OC(C1O)n2c3c(c(nc(N)n3)O)nc2)CN)O	1112
+C1(C(OC(C1O)n2c3c(c(nc(N)n3)O)nc2)CN)O	1113
+NCC1Cc2c(cccc2)C(N1)=O	1113
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCN	1113
+NCC1Cc2c(cccc2)C(N1)=O	1114
+O=S(=O)(c1cc(ccc1)F)c2ccc3CCC(Oc3c2)CN	1114
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCN	1114
+FC(F)(F)c1nccc(n1)N2CCC(CC2)CN	1115
+c12ccccc1c3c(cccc3)nc2CN	1116
+FC(F)(F)C1(ON=C(C1)c2cc(c(nc2)CN)Cl)c3cc(Cl)cc(Cl)c3	1117
+c1cc(ccc1-n2cnc(CN)c2)N3C=CC=CC3=O	1118
+C(c1ccc2c(c(ccc2)O)n1)N	1119
+NCc1c2c(ccc1)cccn2	1120
+C(c1ccc2ncccc2c1)N	1121
+C1CCCC(n2c3cc(CN)ccc3cn2)O1	1122
+Clc1ccc(I)c(CN)c1	1123
+CC(C)(C)OC(COc1ccc(cc1)CN)=O	1124
+c1c(c(-c2nnsc2)ccc1)CN	1125
+c1c(c(-c2nnsc2)ccc1)CN	1126
+C1CCCCC1(c2ccc(cc2)CN)O	1127
+c1cc(ccc1OCCN2CCCC2)CN	1128
+C(c1ccc2ncccc2c1)N	1129
+c1cc(ccc1CN)-c2ocnc2	1130
+C(c1ccc2ncccc2c1)N	1131
+c1cc(ccc1F)-n2ncnc2-c3ccc(cc3)N=CN(C)C	1132
+NC=1C(NC(=O)N(CCCCC)C=1N)=O	1133
+C(CC)N1C(C(N)=C(N)NC1=O)=O	1134
+NNC(c1cccc(c1)I)=O	1135
+FC(F)(F)COc1c(C2CCCCC2)cc(C(NN(c3nnc(Cl)cc3)C)=O)cn1	1136
+FC(F)(F)c1cc(Oc2cc(C(=O)NN)ccc2)ccc1	1137
+c1c(-c2cncc(Nc3ccc(I)cc3F)c2C(NN)=O)c(ccc1)Cl	1138
+Clc1c(SCCCCl)c(ccc1)NN	1139
+FC(F)(F)C(NCCc1cc(ccc1)NN)=O	1139
+FC(F)(F)C(c1ccc(cc1)NN)O	1139
+c1cc(ccc1F)S(=O)(=O)c2ccc(cc2)NN	1139
+S(CCOc1ccccc1NN)C	1140
+c12OC(C)Cc1cccc2NN	1140
+c1cc(ccc1CCNc2cc(nc(n2)OC)-c3cccc(S(=O)(=O)N)c3)OC	1141
+c1c(C(CCCCCl)=O)cc(N)c2OCCc12	1142
+c1cc(ccc1-c2ncc(nc2)O)N	1142
+c1cc(ccc1N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl)N	1142
+Fc1cc(cc(F)c1N2CCS(=O)(=O)CC2)N	1143
+OP(O)(c1cc(ccc1)N)=O	1143
+c1cc(ccn1)-c2c(F)c(N)ccc2F	1143
+c1ccccc1Oc2cc(N)c(O)cc2	1143
+c1ncncc1Oc2cc(cc(c2)Cl)N	1144
+Clc1c(c(F)ccc1N)Cl	1145
+Nc1ccc2CC3(c4ccccc4NC3=O)Cc2c1	1145
+FC(F)(F)C(N1CCc2ccc(cc2CC1)N)=O	1146
+FC(F)(F)Oc1ccc(O)c(c1)N	1147
+FC(F)(F)c1cnc(-c2c(c(O)c(cc2F)Cl)N)c(Cl)c1	1147
+C(c1cccc(F)c1)n2ncc3cc(ccc23)Nc4c5cc(ncc5ncn4)N	1148
+Nc1cc2c(ncnc2cn1)Nc3cc(Br)c(Br)cc3	1148
+c1ccccc1Nc2nn(cn2)-c3cc(N)ncc3	1149
+C1CCCCC1c2noc(c2)N	1150
+C1CCN(C1)c2nc3cc(ccn3n2)N	1151
+c1cc(ccc1S(=O)(=O)C)-c2cc(sc2-c3ccc(cc3)F)N	1152
+C1CCc2nc3c([n+]([O-])c4ccccc4c3n2OC1)N	1153
+C1CC(CCC1NS(=O)(=O)C(C)C)CNc2nc(cs2)-c3ccccn3	1154
+c1cc(ccc1F)Nc2nc(-c3ccc(cc3)F)cs2	1155
+c1ccccc1OCC(N2CCC(CC2)Cc3ccccc3)C(c4cc5sc(nc5cc4)N)O	1156
+CC(C)(c1cc(ccc1)C(=O)Nc2cccc(Oc3c(c4c(cc3)nc(s4)N)C#N)c2)C#N	1157
+c12c(cccc1)nc(N)c3nc4n(OCCCC4)c23	1158
+c12c(cccc1)nc(N)c3nc4n(OCCCC4)c23	1159
+Nc1sc2c(cc(nc2Br)Br)n1	1160
+c1ccccc1C(c2cc(ccc2F)-c3ccnc(n3)N)O	1161
+n1n2c(c(O)ccc2)nc1N	1162
+n1n2c(c(O)ccc2)nc1N	1163
+c1ccccc1-c2cc3c(N)n[nH]c3nc2	1164
+c1(c(Br)cccc1N2N=C(C(=O)C)C(=O)C(=C2)OC)F	1165
+c1(c(Br)cccc1N2N=C(C(=O)C)C(=O)C(=C2)OC)F	1166
+Fc1c(F)cn(c1)-c2cc(c(N3C=C(OC)C(C(=N3)C(N(C)OC)=O)=O)cc2)OCc4ccccc4	1167
+c1(c(Br)cccc1N2N=C(C(N(OC)C)=O)C(=O)C(=C2)OC)F	1168
+C1CC(CCC1C(=N)NO)C(OC)=O	1169
+o1c(-c2csc(c2)Cl)cc(C3N(C(SC)=NC)C4CC4C3)n1	1170
+o1c(-c2csc(c2)Cl)cc(C3N(C(SC)=NC)C4CC4C3)n1	1171
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)C(NO)=N	1172
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1173
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1174
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1175
+c1cc(ccc1CCC2NC(OC2)=N)NS(=O)(=O)c3cccc4cnccc34	1176
+O=S(=O)(O)N1C(=O)C(C1COC(=O)N)NC(=O)C(=NOCCN=[N+]=[N-])c2nc(sc2)N	1177
+CC(C)(C)[Si](C)(C)OCc1c(nc(Cl)nc1)Nc2n[nH]c(C3CC3)c2	1178
+OB(O)c1cc2ccc(Cl)cc2cc1	1179
+c1ccccc1C#Cc2ccc(cc2)B(O)OC	1180
+CC1(C)OB(OC1(C)C)c2c(F)cc3OCCCc3c2	1181
+FC(F)(F)c1c(C(C(OCC)C(OC)=O)O)ccc(OCc2ccccc2)c1	1182
+C1CC(CCC1O)Oc2cc3CCC(Oc3cc2)c4ccccc4	1183
+C1CC(CCC1c2cccc(F)c2)O	1183
+C1C(CC1)(C(O)CN2CCCCC2)c3ccccc3	1184
+CCOC(=O)C(C(=O)OCC)C(=O)c1c(F)c(OC(F)F)c(c(F)c1)F	1185
+CC(C)(C(OCC)=O)Oc1ccc(cc1)CCCC(=O)O	1186
+CC(C)C(Oc1cccc2c1cc(C)n2Cc3ccccc3)C(=O)OCC	1187
+C1CC(CCC12OCCO2)CC(=O)OC	1188
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1189
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1190
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1191
+N1(C(=O)C)c2cc(C)cc(C)c2C(CCC(=O)O)C1	1192
+c1ccccc1CC(C(OCC)=O)NC(Cn2c3c(cc2)cc(cc3)[N+](=O)[O-])=O	1193
+C1CCCCC1C(C2CCCCC2)CC(=O)NCC(OC(C)(C)C)=O	1194
+c1ccccc1COC(=O)N2CCCC2(Cc3ccccc3)C(NC(C(OC)=O)C(C)O)=O	1195
+c1cc(ccc1N2C(c3c(c(ccc3)C)C2=O)=O)CC(C(OCC)=O)NC(=O)c4c(cc(cc4Cl)-c5[nH]nnn5)Cl	1196
+CC(C)(C)OC(=O)CNC(c1cc(Cl)c(cc1)NC(=O)OCc2ccccc2)=O	1197
+CC(C)(C)OC(=O)CNc1ccc(cc1OCc2ccccc2)I	1198
+c1ccccc1Cn2c(cc3c2cccc3OCC(OC)=O)C	1199
+COc1c(OC)c(cc2cc(ccc12)C=CC(OCC)=O)OC	1200
+COc1c(OC)c(cc2cc(ccc12)C=CC(OCC)=O)OC	1201
+FC(F)(F)C(=O)N(C1CCN(CC1)C(=O)OC2(CC2)C)C3CC3	1202
+C1CN(CCN1c2scc(-c3ccccc3F)n2)C(OCC(C)C)=O	1203
+C1CC(CCN1C(OCCC)=O)Nc2ncc(C(c3ccccc3OC)=O)c(n2)N	1204
+C1CN(CCC1C(=O)OCC)C2CC3(C2)CCN(C(OCC)=O)C3	1204
+CC(C)COC(=O)N(C1CN(C(C2CCN(CC2)c3ccc(C#N)cn3)=O)CC1c4ccc(cc4)Cl)C	1204
+C1CC1NC(Nc2ccc(cc2)-c3nc(N4C(COCC4)C)c5CN(Cc5n3)C(OC)=O)=O	1205
+C1CN(CCC1(c2c(cccc2)C)CNC(=O)OCC)C(=O)OCC	1206
+c1cc(ccc1)S(=O)(=O)n2ccc3c4n(C5CC(NC(=O)OC)CC5)nnc4cnc23	1207
+c1cc(ccc1Br)N2CCC(CC2)NC(=O)OCC	1207
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)NC(=O)OCC(C)C)F	1208
+C1CC1(C(OCC)=O)Oc2cc(NC(OCC)=O)c(F)cc2Cl	1209
+CC(C)OC(Nc1cc(-c2[nH]c3ncc(cc3n2)Br)c(Cl)cc1)=O	1210
+N#Cc1ccc2cc(cc(-c3c4ccccc4ccc3)c2n1)NC(=O)OCC	1210
+N(c1ccc(C)c(c1)C(=O)c2ccc(Nc3c(F)cc(F)cc3)cc2Cl)C(=O)OCC	1210
+O(C(Nc1cccc(NC(C=C(OC)C)=O)c1)=O)CCC	1210
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)NC(=O)OCC(C)C)F	1210
+C1CCCCC1COc2c3nc(c(n3cc(C)c2)C(OCC)=O)C	1211
+Clc1ccc2cc(C(=O)OCC)[nH]c2c1	1212
+c1cc(ccc1-c2cc(C(=O)OCC)nn2CC(C)C)Br	1213
+CC(C)c1onc(c1)C(=O)OCC	1214
+C1CN(CCC12NC(C(c3c(ccc(c3)C)C)=C2O)=O)OC	1215
+FC(F)(c1ncccc1)CO	1216
+C1CC(CCC1C2CCC(CC2)CCC)CCCO	1217
+O(CCO)CCc1cccc2ccccc12	1218
+C(COCc1nccs1)O	1219
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)CO	1219
+C(O)CCc1ncsc1	1220
+C(CCCc1cc(c(cc1)Cl)Cl)O	1221
+c1c(ccc(-c2oncc2CCCO)c1F)F	1222
+c1c(ccc(-c2oncc2CCCO)c1F)F	1223
+O(COC)Cc1c(cc(c(c1OC)OC)OC)[N+](=O)[O-]	1224
+c1cc(ccc1)C(Oc2cc(Cl)c(OCOC)c(C)c2)=O	1225
+c12-c3ccccc3NC(=S)n1nc(CO)c2	1226
+n1c(ccc2ncccc12)CO	1227
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)CO	1228
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)CO	1229
+Clc1cccc(c1)-c2onc(CO)c2	1230
+Clc1cccc(c1)-c2onc(CO)c2	1231
+c1cc(ccc1Oc2ccccn2)CO	1232
+C1CC1(C(=O)Nc2ccc(CO)c(Br)c2)c3cc4OCOc4cc3	1233
+C1CN2CCC1C(C(CCc3ccc(cc3)CO)(O)c4ccccc4)C2	1233
+c1(cc(CO)c(cc1Br)O)F	1233
+C(O)c1c(F)ccc(Br)c1F	1234
+CC(C)(C)c1c(c(C=Cc2ccc(cc2CO)NS(=O)(=O)C)cc(c1)N3C(=O)NC(C=C3)=O)OC	1235
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COCC(N(OC)C)=O)c4	1236
+C1CC(CCO1)Nc2n3c(nc(N4CCCC4)c2)cc(C(=O)N(C)OC)n3	1237
+Clc1cc(cc(Cl)c1CCC(NOC)C)Cl	1238
+c1cc(ccc1)CC(NC(c2c(-n3cc4ccccc4n3)nccc2)=O)C(O)C(=O)NOCC	1239
+c1c(I)cc(c(Nc2c(C(NOCC(O)C)=O)ccc3cncn23)c1)F	1240
+c1c(cc(c(Nc2c(c3c(cc2C(NOCCOC=C)=O)n(cn3)C)Cl)c1)Cl)Br	1241
+Clc1cc(cc(Cl)c1CCCNOC)Cl	1242
+C1(=NO)c2c(c(F)ccc2)OCC1	1243
+c1c(F)c(c(cc1)F)C(=NO)Cl	1244
+c1(cc(cc(Cl)c1CCC=NOC)Cl)Cl	1245
+CC(C)(NC(C(SC)Oc1ccc2c(cc(Br)cn2)c1)=O)C=NOCCCC	1246
+c1ccccc1[Si](c2ccccc2)(N3C(CC3C=NOC)=O)C(C)(C)C	1246
+c1c([N+]([O-])=O)c(cc(c1)C(=O)OC)C=NOC	1247
+O=Cc1c(O)c(c(cc1)Br)F	1248
+CC(C)N1C(=O)c2cc(ccc2C(=N1)Br)O	1249
+O(c1ccnc(O)c1)C	1250
+FC(F)(F)c1cccc(-c2c(O)nc3ccc(cc3c2O)Br)c1	1251
+FC(F)(F)c1cccc(-c2c(O)nc3ccc(cc3c2O)Br)c1	1252
+c1cc2c(c(ncn2)O)nc1Cl	1253
+c1cc(ccc1)C(c2ccccc2)N3C(=O)C(c4ccc(OCc5ccccc5)cc4O)c6c3cccc6	1254
+c1ccccc1-c2nn3ccccc3c2C=4C=CC(N(C5CC(=O)CCC5)N=4)=O	1255
+O=C(Cc1cc(c(-c2ccc(cc2F)F)cc1)F)Cl	1256
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(=O)Cl	1257
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)OCC(Cl)=O	1258
+c1ccccc1COCC(=O)N2CCCN(c3c(Cl)cc(Cl)cc3)CC2	1259
+C1CN(CCC1)S(=O)(=O)c2ccc(c(COCC(=O)N3CCCC3)c2)Cl	1260
+C1CN(CCC1c2ccccc2)C(=O)C3C4(c5ccccc5CCC4)CN(C3)Cc6ccccc6	1261
+C1C(CC1)C(=O)N2CC(c3c4cccc5CCCn(c3)c45)C(c6c7c(cccc7)[nH]c6)C2	1262
+c1nc(ncc1)N2CCN(CC2)C(Cn3c(Br)nc(Br)c3Br)=O	1263
+C1CN(CCN1C(CC2CC2)=O)S(=O)(=O)c3cccc4ccccc34	1264
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2c3c(cccc3)c(cc2)CNC(=O)CC(F)(F)F	1265
+c12c(cccc1)nc(c3c2cccc3)CNC(=O)CCl	1266
+c1ccccc1CNC(COc2ccc(cc2)-c3c(c(CN4C(=O)CCC4=O)nc5c3c6CCS(=O)Cc6s5)Cl)=O	1267
+c1ccccc1-c2ccc(cc2)OCCCC(=O)NO	1268
+c1(ccc(cc1Cl)NCC(=O)NO)Cl	1269
+FC(F)(F)C(N1CCc2cc(NC(=O)CCN3CCN(CC3)Cc4ccccc4)ccc2CC1)=O	1270
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(=O)Nc4[nH]nnn4)c1	1271
+c1(c(sc(n1)NC(CCl)=O)C(=O)c2ccccn2)-c3occc3	1272
+C1CN(CCO1)C(COc2cc(ccc2)NC(=O)CCl)=O	1273
+c1c(F)c(c(cc1N2CCOCC2)F)NC(CC3CCC=C3)=O	1274
+c1cnccc1SCC(Nc2cccc(c2)-c3n4ncc(C(c5sccc5)=O)c4ncc3)=O	1274
+c1cc(ccc1-c2ccc(cc2)S(=O)(=O)OCC(Nc3cc(c(C(=O)O)cc3)O)=O)Cl	1275
+c12c(-c3c(c4c(cccc4)c(n3)O)C1)ccc(NC(=O)CCl)c2	1276
+c1cccnc1N2C(N(CC(Nc3cc4c(CC5(c6cccnc6NC5=O)C4)cc3)=O)CC2)=O	1277
+FC(F)(F)C(N1CCc2cc(NC(=O)CCN3CCN(CC3)Cc4ccccc4)ccc2CC1)=O	1278
+c1c(ccc(-c2oncc2CCC(OC)=O)c1F)F	1279
+C1CCCC1(c2cc(c(Cl)cc2)Cl)C(=O)CBr	1280
+CC(C)(C)OC(CC1(CC2c3c(C1CC2)cccc3)O)=O	1281
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N(C2CC2)C3CCN(CC3)C(CCN4CCC(CC4)O)=O	1282
+c1c(ccc(-c2oncc2CCC(OCC)=O)c1F)F	1283
+C1NCCN(CCNCCNC1)CC(=O)NCc2nc3c(c4ccccc24)cccc3	1284
+c1cc(ccc1)NCC(Nc2c(ccc(Cl)c2)C(=O)O)=O	1285
+FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)Br)ccc1Cl	1286
+O=S(=O)(NCc1cnccc1)c2cccc(c2)C=CC(Cl)=O	1287
+c1cc(ccc1)C=CS(=O)(=O)Nc2cc(ccc2)C=CC(NO)=O	1288
+c1c(cc(cc1)C=CC(=O)NO)NC(C=Cc2cc3OCOc3cc2)=O	1289
+c1ccccc1CS(=O)(=O)n2cc(C=CC(=O)NOC3OCCCC3)cc2	1290
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(NOC3OCCCC3)=O)=O	1291
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)NO	1292
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)NO	1293
+c1cc(ccc1)C=CC(=O)Nc2c(CCN3CCN(CC3)c4nsc5c4cccc5)cccc2	1294
+c1cc(ccc1Cl)Sc2ccc(cc2)CCC(=O)Cl	1295
+c1ccccc1Oc2nccc(n2)C(=O)Cl	1296
+Clc1cc(cc(Cl)c1CN2CCC3(CCCCC3)C2=O)OCc4ccccc4	1297
+c1c(Cl)c(c(cc1Br)Cl)CN2CCC3(CCCCC3)C2=O	1298
+c1cc(ccc1CC(=O)N2C(CCC2)C(=O)Nc3ccc(cc3)Cl)N4CCOCC4=O	1299
+C1CC1NC(=O)C(=O)C(Cc2ccccc2)NC(c3cccnc3-n4cc5ccccc5n4)=O	1300
+c1ccccc1CC(NC(C2N(C(=O)CC2)Cc3ccccc3)=O)C(=O)C(NCc4ccccn4)=O	1300
+C1CC1NC(=O)C(=O)C(Cc2ccccc2)NC(c3cccnc3-n4cc5ccccc5n4)=O	1301
+c1ccccc1CC(NC(C2N(C(=O)CC2)Cc3ccccc3)=O)C(=O)C(NCc4ccccn4)=O	1301
+FC(F)(F)c1cc2scc(N3CCN(CC3)CCC4(CC4)C(=O)NCCCn5ccnc5)c2cc1	1302
+c1cc(ccc1)CC(C(C(NC2CC2)=O)O)NC(c3c(-n4cc5ccccc5n4)nccc3)=O	1303
+c1ccccc1CN2C(CCC2=O)C(NC(Cc3ccccc3)C(C(NCc4ncccc4)=O)O)=O	1303
+C1CC1(C(=O)NC(CO)c2cc(Cl)ccc2)Nc3nc(ncc3Cl)Cl	1304
+FC(F)(F)c1cc(Oc2cc(ccc2)CN(C(NC3CCCCC3)=O)CCN4CCCCC4)ccc1	1305
+C1CN(CCO1)CCNC(=O)Nc2ccc3c(c2)ccc(n3)NC4CCc5c4cccc5	1306
+c1cc(ccc1)C(c2ccccc2)NC(c3c(O)nc(COCc4ccccc4)nc3)=O	1307
+c1cc(ccc1F)-n2ccc(n2)C(NC3CCN(c4nccn5c4nnc5)C3)=O	1308
+c1ccccc1COc2c(c(cc(OCc3ccccc3)c2)Oc4ccc(cc4)[N+]([O-])=O)-c5onc(C(=O)NCCF)c5	1308
+c1ccccc1-n2cnc(n2)C(NC3CN(c4nccn5ccnc45)CC3)=O	1309
+FC(F)(F)CNC(=O)c1ccc(cc1)C=O	1310
+FC(F)(F)c1cc(c(C(=O)NC2C(N)CCCC2)cc1)C3CC3	1311
+c1ccccc1CNC(c2cc(N3NC=C(C3=O)c4cccnc4)ncc2)=O	1312
+FC(F)(F)c1cc(C(NC2C(CN(CCNc3ncccn3)CC2)O)=O)ccc1	1313
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)Cl	1314
+c1cc(ccc1N2C=CC=CC2=O)-n3cc(CNC(c4ccc5c(cc[nH]5)c4)=O)nc3	1315
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)Cl	1316
+C1CSCCN1c2ncc(cc2)CNC(c3ccc(cc3)-c4cc(F)ccc4)=O	1317
+c1c(cc(c(Nc2c(C(NOCCOC=C)=O)ccc3cncn23)c1)F)Br	1318
+c1cc(ccc1)C2C(N3C(C4N(CCN(C4)C(Nc5n(-c6ccccc6)ncc5)=O)C3=O)=O)C2	1319
+c1ccccc1C(c2ccccc2)C(Nc3c(nc(COCc4ccccc4)nc3)O)=O	1320
+c1c(C(=O)Nc2c(ncnc2Cl)Nc3ccnc(Cl)c3)cc(F)cc1	1321
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC4OC(C)(C)OC4)n3	1322
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC4OC(C)(C)OC4)n3	1323
+CC(C)(C)OC(N1CCN(CC1)C(=O)Nc2noc3c2cccc3)=O	1324
+C1CC(CCO1)OC(c2cc(c(cc2)Cl)Cl)C(=O)Nc3sccn3	1325
+c1cc(ccc1C#Cc2ncccc2)C(C(=O)Nc3sccn3)CC4CCCC4	1325
+c1cc(ccc1[N+](=O)[O-])C(=O)Nc2scc(COc3ccc(cc3)CCCCn4ccnn4)n2	1326
+C1CC1C(Nc2cc(ccc2)-c3ccc(nn3)N4CCN(CC4)C5CC5)=O	1327
+C1CC1C(C(Nc2ccc(cc2)Cl)=O)Oc3c4c(cccc4)ccc3	1328
+FC(F)(F)c1cccc(CC(=O)Nc2ccc(Br)cc2C(=O)OC)c1	1329
+C1CN(CCN1)C(=O)Nc2cc(Cl)c(Cl)cc2	1330
+CC(C)(C)OC(N1CC(c2ccc(cc2)NC(OC3CCC(F)(F)CC3)=O)CC1)=O	1331
+c1cc(ccc1)COC(=O)Nc2ccc(c(c2)F)-n3nc(cc3)-c4ccccn4	1332
+c1cc(ccc1)CN2CCN(CC2)c3ccc4c(C(OC(=O)N4)=O)c3	1333
+C(Oc1noc(C(Nc2cc(Cl)c(F)cc2)=O)c1)CCBr	1334
+FC(F)(F)C(c1c(cccc1)NC(c2occc2)=O)O	1335
+c1ccccc1NC(c2cnc(cn2)N3CC(C3)Oc4cc(ccc4Br)F)=O	1336
+FC(F)(F)c1cc(NC(=O)c2ccncc2)c(N3c4c(cccc4)CC3)cc1	1337
+c1ncncc1Oc2cc(NC(c3cccc(Cl)c3)=O)cc(c2)Cl	1338
+c1cc(ccc1NC(=O)c2c(F)cc(F)cc2)C(=O)N3Cc4c(Cc5ccccc35)cccc4	1339
+c1ccccc1NC(=O)c2cccc(-c3ccnc4n3ncc4C(c5sccc5)=O)c2	1340
+FC(F)(F)Oc1cc(c(O)cc1)NC(=O)c2c(cncc2)Cl	1341
+c1ccccc1COc2ccc(Cl)cc2Cn3cc(NC(c4c(Cl)cccc4F)=O)cn3	1342
+c1cc(ccc1)C(c2ccccc2)CC(N3CCN(CC3)CC(=O)OCC)=O	1343
+c1cc(ccc1C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5)COCC(=O)OCC	1344
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCC(=O)O	1345
+c1cc(ccc1)COc2cccc(-c3nc(C(OCC)=O)cs3)c2OCc4ccccc4	1346
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3ncc(-c4ncccc4)cc3	1347
+FC(F)(F)CCCOc1ccc(cc1)C(=O)C(F)(F)F	1348
+FC(F)(F)C(=O)N(Cc1ccnc2ccccc12)C3CC(Cc4ccccc4)N(CC3)C(=O)c5c(cccc5Cl)Cl	1349
+c1cc(ccc1)C(=O)N2CCN(CC2)C3(Cc4cccc(Cl)c4)c5ccc(cc5NC3=O)Cl	1349
+C1N(CC1N2CCN(CC2)C(=O)c3sccn3)C(=O)c4cc5CCN(c6ccc(cc6)F)c5cc4	1350
+CC(C)(C)OC(N(c1ccncc1)CCOc2cc(cc(c2)Cl)C(=O)N(c3cccc(c3)F)CCCn4ncnn4)=O	1351
+C(c1ccc(O)c([N+]([O-])=O)c1)(N2CCOc3ccccc23)=O	1352
+C(c1ccc(O)c([N+]([O-])=O)c1)(N2CCOc3ccccc23)=O	1353
+c1c(F)cc(cc1C(=O)c2cc(c(F)cc2)C#N)F	1354
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)C(=O)OCC	1355
+Clc1cccc(c1)-c2onc(c2)C(=O)OCC	1356
+c1cc(ccc1)COc2cc(cc(Oc3ccc(cc3)[N+]([O-])=O)c2-c4onc(C(OCC)=O)c4)OCc5ccccc5	1357
+c1cc(ccc1Cl)OCc2ccc(cc2)CNC3=C(Nc4ccncc4)C(=O)C3=O	1358
+C1(=O)COCC(c2cc(ccc2)Br)(CO)N1	1359
+c1cc(ccc1)C2COCC(N2)=O	1359
+CC(C)(N1C(c2c(Cl)c(ccc2C1=O)F)O)c3ccccc3	1360
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)C3=NOC(N3)=O)OCC=C(Cl)Cl)Cl	1361
+N1C(C(c2c3c4n(c2)CCc4ccc3)=C(C1=O)c5c[nH]c6ccccc56)=O	1362
+c1cc(ccc1NC(=O)C)N2CCNC2=O	1363
+C1CN(CCC1N2C(Nc3cc(Cl)ccc23)=O)C(=O)OCC	1364
+FC(F)(F)c1c2N=C(N(c3c(Cl)cccc3)C(=O)c2ccc1)CCl	1365
+c1cc(ccc1-c2ccc(s2)C(=O)CCc3c(c(c(O)cc3)Cl)Cl)Br	1366
+C1CCCC1CCCC=O	1367
+C1CC(CCC1)N(CCCCCC=O)C(c2ccccc2)=O	1368
+c1c(ccc(c1Cl)Cl)CCCC=O	1369
+c1cc(ccc1)CON2C(=O)N3C(CCC2C3)C=O	1370
+O=C1c2ccccc2C(=O)N1CC3Cc4c(O3)c5c(CCC5)cc4	1371
+C1(c2c(C(=O)N1CC3COCC3)cccc2)=O	1372
+c1cc(ccc1[N+]([O-])=O)Cn2c3c(cc(Br)cc3)cc2C(=O)OCc4ccccc4	1373
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(OC)=O	1374
+n1c(SCC(=O)NCC2CN(CCO2)Cc3ccc(c(c3)Cl)Cl)scc1C=O	1375
+Clc1cccc(c1)-c2onc(c2)C=O	1376
+n1n2CCOCc2cc1C=O	1376
+c1cc(ccc1)COc2c(ccc(C=O)n2)[N+]([O-])=O	1377
+c1ccccc1-c2sc3c(c(ccc3)C=O)n2	1378
+c1cc(ccc1Nc2c(cnc3c2cc(cc3)Cl)C=O)Cc4ccccc4	1379
+O=S(=O)(n1ccc2c1cccc2)c3cc(C=O)c(cc3)Br	1380
+c1cc(ccc1)-c2c(C=O)cc(cc2)Br	1381
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)N=C=O	1382
+C1CC1COc2cc(ncc2)CS(c3nc4c(cc(F)cc4)[nH]3)=O	1383
+FC(F)(F)S(=O)(=O)Nc1cc(OCc2nc3ccccc3cn2)ccc1	1384
+FC(F)(F)c1cc(c(cc1)S(=O)(=O)Nc2cc(Cl)c(c(c2)Cl)Sc3ccc4ccccc4c3)Cl	1385
+c1ccccc1-n2nc3ncc(NS(=O)(=O)c4ccccc4)cc3c2	1386
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)-c3ccc(Cl)cc3CO2	1387
+C1COCCN1S(=O)(=O)c2cc(ccc2OC)F	1388
+c1cc(ccc1)S(=O)(=O)N2CC(c3cn4c5c(cccc35)CCC4)C(c6c[nH]c7c6cccc7)C2	1389
+CC(C)(C)OC(N1CC2CC(CC(C1)N2S(=O)(=O)c3ccc(cc3)Cl)=O)=O	1390
+CC(C)(C)Sc1ccc(c(c1)Cl)Cc2c3c(ccc(c3)C(NS(=O)(=O)CCCCC)=O)[nH]c2C	1391
+O=S(=O)(C)NC(c1ccc(c(Cl)c1)OCc2cc(F)c(cc2)F)=O	1391
+c1(nc2c(nc(Cl)c(C#N)c2)n1C)C	1392
+C1COCCN1C(c2ccc(OCc3c(noc3C)-c4ccncn4)nc2)=O	1393
+CN(C)C(=O)c1cn2c(nnc2c(NCc3c(cccc3CC)C)c1)C	1393
+C1CCCCN1C(c2cc(C)c(Nc3cnc(C)cc3)nc2)=O	1394
+c1ccccc1C(CO)NC(=O)c2cnc3c(cnn3CC)c2NC4CCOCC4	1395
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)c3cncc(C(=O)Nc4ccc(cc4)Cl)c3	1396
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(=O)OCC)Cl)CC#N	1397
+FC(F)(F)c1ccc2c(c(cnc2c1)CCl)O	1398
+N1(c2c(C(=O)N(c3ccc(Cl)nc13)C)cc(CCl)cn2)CC	1399
+C1CN(CCC1N2CCCCC2=O)Cc3c(-c4ccccc4)nc5ccccc5c3C(OC)=O	1400
+CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12	1401
+CC(C)(C)Oc1ccc(CO)cn1	1402
+c1cc(ccc1OCc2cc3c(nc2)N(c4nc(Cl)ccc4N(C)C3=O)CC)O	1403
+O(c1c(Cl)ncc(CO)c1)C	1404
+O(c1c(cc(CC)c(C)n1)C=O)C	1405
+c1(ccncc1N2CCNC2=O)C	1406
+[nH]1c2c(c(NC(c3nccnc3)=O)c1)c(F)c(cn2)Br	1407
+FC(F)(F)c1cccc(c1)C(Nc2cc(c(C)nc2)I)=O	1408
+c1cc(ccc1Cn2c(cc(NCc3ccccc3)c2)C(=O)C)F	1409
+C1CN(CCN1c2ncc(cc2)Nc3nc4c(c(N)n3)scc4-c5cc(ccc5)NS(=O)(=O)C)CC	1410
+O=S(=O)(N1CC2(C(=O)c3ccccn3)C(=Cc4c(cnn4-c5ccc(cc5)F)C2)CC1)c6ccc(Cl)nc6	1411
+c1cc(ccc1F)-c2nc3n(c2)c(c(s3)C(N)=O)C	1412
+C1CCCCC1c2nc(c(C)o2)C(=O)Cl	1413
+Fc1cccc(F)c1COc2cccn3c2nc(C)c3C(=O)NCC(CC(C)C)(N)C	1414
+c1cc(ccc1CNC(=O)c2sc(nc2C)N)Cl	1415
+CN(C)c1nccc(-c2c(nc3n2cccc3)CN(C4CCCc5c4nccc5)C)c1	1416
+CN(C)c1nccc(-c2c(nc3n2cccc3)CN(C4CCCc5c4nccc5)C)c1	1417
+CN(C)c1nccc(-c2n3ccccc3nc2C=O)c1	1418
+FC(F)(F)c1ccc(cc1)CNc2nc(c(c(N)n2)NC(CC3CCCC3)=O)C	1419
+CC(C)OB(O)c1ccc2c(CCCC2)c1	1420
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(ccc(F)c3)F	1421
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(ccc(F)c3)F	1422
+CC1(C)OB(OC1(C)C)c2c(F)cc3c(c2)CCC(=O)N3C	1423
+c1c(cc(-c2ccc(cn2)C)c(Cl)c1)Br	1424
+c1cc(ccc1Oc2c(ccc(F)c2)F)I	1425
+c1cc(ccc1CCO)Nc2nc(C)cc(C)c2[N+]([O-])=O	1426
+FC(F)(F)Oc1ccccc1-c2cc(c(n2CC3OCCC3)C)C(=O)NC4CCCCC4	1427
+CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1	1428
+c1cc(ccc1)-c2scc(n2)COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC	1429
+c1ccccc1-c2scc(COc3cccc4oc(cc34)-c5nc6n(c5)nc(OC)s6)n2	1430
+FC(F)(F)c1c([n+]([O-])c(cc1)Cl)Cl	1431
+C1CCCCC1(c2ccc(cc2)CNC(c3c(C)nc4ncccc4c3)=O)O	1432
+FC(F)(F)c1ccc(C(NC2CCC2)=O)c(O)n1	1433
+N#CCc1c(C)nccc1	1434
+O(c1c(CCl)cc(F)c(C)n1)C	1435
+O(c1c(CCl)cc(F)c(C)n1)C	1436
+c1(CCl)c(C)nccc1	1437
+c1cc(ccc1C(Nc2c(CNC(=O)C3NC(CC3)=O)cc(F)c(Nc4[nH]nc(c4)C5CC5)n2)C)F	1438
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(c3ccc(c(c3)F)CNS(=O)(=O)C)C	1439
+O(c1c(CO)cc(F)c(C)n1)C	1440
+c1ccccc1C=C2c3nc(C)c(cc3CCC2)C=O	1441
+O(c1c(c(cc(c1OC)OC)C)C(c2c(c(Br)cnc2OC)Cl)=O)C	1442
+O(c1cccnc1OCC(OC)=O)C(C)=O	1443
+O(CC(=O)OC)c1c(O)cccn1	1444
+O(CC(=O)OC)c1c(O)cccn1	1445
+c1(ocnc1)-c2cc(ncc2)-c3c(C)ccnc3OC	1446
+C1CN(CCN1C(Nc2c(nc3c(ccc(F)c3)n2)OC)=O)c4cc(ccc4)C	1447
+c1cc(CNc2nc(SC)ncc2C=O)cc(Cl)c1OC	1448
+CC(C)(C)CN(C)c1c(c(ncn1)Nc2cc(C(NC)=O)ccc2C)NC(=O)C	1449
+O=S(=O)(NC1CCC(CC1)O)c2c(ccc(-c3cnc(N)nc3C)c2)Cl	1450
+C1CC(CCN1c2c(ccc(C)n2)C#N)=CC#Cc3cc(F)cc(F)c3	1451
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1452
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1453
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1454
+FC(F)(F)c1c(nc(cc1)Cl)Cl	1455
+FC(F)(F)c1c(nc(cc1)Cl)Cl	1456
+CN(C)c1c(C#N)ccc(Oc2cc3COB(c3cc2)O)n1	1457
+C1(COc2c(c(F)c(cc2)CCCl)N1C)=O	1458
+N#Cc1cc2c(CCCC2)c(c1OC)I	1459
+FC(F)(F)C(c1cc2c(cc1F)OCC(N2C)=O)(C(C)c3ccc(Br)cc3Cl)O	1460
+C1CC(CCC12OCCO2)c3c(cc(OCOC)cc3)OCOC	1461
+C1CC(CCN1Cc2ccccc2)c3ccc(cc3)OC	1461
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C)cccc2F	1461
+CC(C)(C#N)c1cc(C)c(C(C)NC(=O)Cn2c3c(cccc3nc2)F)cc1	1462
+c1cc(ccc1)COc2c(cccc2-c3ccccc3)C(c4cc(ccc4)-c5c(cccc5)OC)C	1463
+c1cc(ccc1C)C2c3c(cc(Br)cc3)CN(C2)C	1464
+CC(C)C(c1ccc(c(c1)[N+]([O-])=O)NC)n2cncc2	1465
+N(O)=C(CNC(C)=O)c1cccc2ccc(OC)cc12	1466
+c1cc(ccc1-c2cc(c(cc2)OC)C(C)=O)C#N	1467
+COc1cccc(C(=O)C)c1Br	1468
+C1CCC(C1)CC(C(OC)=O)c2cc(c(SC)cc2)Cl	1469
+c1(C)cc(C(CNCCO)O)ccc1[N+]([O-])=O	1470
+CC(C)(C)OC(=O)Nc1c(cc(-c2cc(ccc2F)F)cc1)NC(CC(=O)c3cccc(C#N)c3)=O	1471
+c1cc(ccc1C(Cl)c2ccc3c(c2)c(cc(n3)O)-n4ccnc4)Cl	1472
+ClC(c1cc(C)c(cc1)[N+]([O-])=O)=NO	1473
+CC(C)COc1c(CCC(OCC)=O)cc(C(c2c(OCC(C)C)cc(OCC(C)C)cc2)N)cc1	1474
+NC(=O)c1cc2c(CCCC2)c(c1OC)I	1475
+c1cc(ccc1C(N)=O)-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C	1475
+CC(C)(C)OC(c1ccc(cc1)N(c2cc(OC)c(cc2)C(N)=O)Cc3scnc3)=O	1476
+FC(F)(F)c1cc(C2(SCCCS2)C(O)c3cc(c(cc3)OC(F)F)C)ccc1	1477
+FC(F)(F)c1cc(cc(Cl)c1N)C(O)CN(Cc2ccccc2)CCCCCCOCCc3ncccc3	1478
+FC(F)(F)C(Oc1cc(nc(N)n1)Cl)c2c(cccc2)-c3cscc3C	1479
+c1c2c(OCCO2)cc(C(c3c(ccc(I)c3)Br)=O)c1	1480
+c1cc(ccc1F)CN2C(=O)C(=C(Cl)c3cc(C)ccc23)C#N	1481
+c1cc(ccc1C(Cl)=NO)C	1482
+CC1(C)OB(O)c2c1cc(C(=NO)Cl)c(F)c2	1483
+CC1(C)OB(O)c2c1cc(C(=NO)Cl)c(F)c2	1484
+c1c(c(C(Cl)=O)cc(-c2nnn[nH]2)c1)OC	1485
+c1cc(ccc1OCCCN(C)C)C(Cl)=O	1485
+FC(F)(F)C=1N(C)C(=O)N(c2cc(c(Cl)cc2F)C(=O)Cl)C(=O)C=1	1486
+Clc1cc(cc(Cl)c1OCCCCCCCCCCCC)C(Cl)=O	1487
+c1(C(=O)Cl)cc2c(C(=O)c3c(O2)cccc3)cc1	1487
+c1cc(ccc1-c2ccc(cc2)C(Cl)=O)OCCCCl	1487
+c1cc(ccc1C(Cl)=O)OCC#CC	1487
+c1ccccc1CC(NCCc2c3c(ccc2)ccc(c3)C(=O)Cl)=O	1488
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	1489
+COc1c(C(Cl)=O)c(ccc1)CCCCCCCCCCCCCCC	1490
+C(Cl)(=O)c1ccc(C#N)cc1C	1491
+C1CCCC1Oc2cc(C(=O)Cl)ccc2SC	1491
+CC(C)N1C(C(Oc2cc(C(Cl)=O)ccc12)CC)=O	1491
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	1492
+C1CN(CCN1C(=O)c2c(cc(cc2)Br)S(=O)(=O)C)c3ncc(cc3C4CC4)C5CC5	1493
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(c3cc(S(=O)(=O)C)ccc3SCC)=O	1494
+C1CN(CCC1C(=O)N2CCN(CC2)C(c3ccc(cc3)C#N)=O)c4ccncn4	1495
+C1CCN(C1)C(=O)c2ccc3c(c2)Oc4c(cccc4)C3=O	1496
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCCl	1496
+C1CCN(C1)C(=O)c2ccc3c(c2)Oc4c(cccc4)C3=O	1497
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCCl	1497
+CC(C)(C)OC(NC1CN(CCC1)C(c2ccc(c(c2)[N+](=O)[O-])NC)=O)=O	1497
+c1cc(ccc1C(N(C)C)=O)CNC(N2C(C)CN(c3ccc(c(Cl)c3)C#N)C(C)C2)=O	1497
+C1CC2(CCN1C(=O)c3cc(OC)c4c(n(C5CC5)cc4)c3)Oc6ccc(-c7cc(ccc7)C(O)=O)cc6C(=O)C2	1498
+C1CN(CCO1)C(=O)c2ccc(cc2)Nc3c4n(ccn4)cc(Br)n3	1498
+C1C(CC1)N(C)C(c2cc(ccc2OC)Oc3c(cc(cc3Cl)COC)Cl)=O	1499
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)NCC3CC3	1500
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2nc3c(o2)cc(cc3)C(N(C)C)=O)cc1)C	1501
+c1(I)ccc(C)cc1C(=O)N2C(C)CCCC(COc3ccc(c(C)c3)F)C2	1502
+c1cc(ccc1C(=O)N2c3ccccc3CCc4ccccc4C2)NC(c5c(cccc5)C)=O	1503
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3CCc4nncn4-c5c3cccc5	1503
+c1cc(ccc1-c2cccc(C)c2)C(N3Cc4cccn4Cc5ccccc35)=O	1504
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3CCc4nncn4-c5c3cccc5	1505
+C(C)C(CC)(c1cc(c(C#CC2(CCCC2)O)cc1)C)c3cc(c(C(NC(C)(C)C(OC)=O)=O)cc3)C	1506
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	1507
+C1CN(CCN1CCNC(=O)c2c(OC)c3c(c(Br)c2)cccc3)c4c(c(Cl)ccc4)Cl	1508
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	1509
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	1510
+c1cc(ccc1NS(=O)(=O)C)C(NCCN2CCSCC2)=O	1510
+C(c1ccc(C)nc1)NC(=O)c2cc(cc(c2)-c3ccc(cn3)C)Br	1511
+C1CC(CCN1C(N)=N)CNC(=O)c2cc(OCCc3c(Cl)cc(Cl)cc3)c(OC)cc2	1511
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	1511
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)C(NCCOc3cc(ccc3)C#N)=O)=O	1511
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)O)ccn2)=O	1511
+CC(C)(C)ON=C1c2c(OC(=C1)c3ncn4c(c3)ccc4)ccc(c2)C(=O)NCCN5CCOCC5	1511
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3c(OC)cc(C(=O)NS(=O)(=O)c4ccccc4C)cc3)cn(C)c2cc1	1511
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(=O)NCCC(=O)OC	1511
+Nc1c2c(CCCN2C)c(cc1C(NC3CCCCC3O)=O)Br	1511
+c1cc(ccc1)C(N(S(=O)(=O)c2ccc(cc2)Cl)Cc3ccc(cc3)C(=O)NCCCOC)CC	1511
+c1cc(ccc1)OCC(Nc2ccc(cc2)C(=O)NCCC(OCC)=O)c3oc4c(cccc4)c3C	1511
+c1cc(ccc1C(=O)NCCC(=O)OC)C(=O)CCC	1511
+c1cc(ccc1C(NCc2c(nc(C)cc2C)O)=O)C(C)OCC	1511
+c1cc(ccc1C(c2cc(OC)c(OC)cc2)=O)C(NCCOc3cc(ccc3)C#N)=O	1511
+c1cc(ccc1CCNC(=O)c2cc(-n3cnnn3)cc(-c4ncccc4OC)c2)F	1511
+c1cc(ccc1CN2c3c(C(=O)N(C2=O)Cc4ccc(cc4)C(NCC5COC5)=O)cccc3)C	1511
+c1nc(ncc1C)C2(CC2)NC(c3ccc(C)c(c3)-c4cc5c(c(-c6ccc(cc6)F)oc5cc4)C(=O)NC)=O	1511
+C1CC(CCO1)NC(=O)c2c(Oc3ccc([N+]([O-])=O)cc3F)cc4cnn(C5OCCCC5)c4c2	1512
+Clc1ccc(c(Cl)c1)CCNC(c2ccc3c(c2)ccn3-c4ccc(CC(OC)=O)cc4C#N)=O	1513
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	1513
+C1C2CC3CC(CC1C3N(CC(COc4ccccc4C(NCc5ccc(cc5)C6(N=N6)C(F)(F)F)=O)O)C)C2	1514
+C1CC1NC(=O)c2cc(C=3C(=O)N(C)c4nc(ncc4C=3)SC)c(C)cc2	1514
+c1cc(ccc1)CCNC(=O)c2ccccc2NC(=O)c3ccc(OC)c(Cl)c3	1514
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	1515
+c1(F)cc(cc(F)c1)CC(C(CNCc2cccc(OC)c2)O)NC(c3cc(cc(c3)C(=O)N(CCC)CCC)C)=O	1516
+c1cc(ccc1NC(CCc2cc3c(OCO3)cc2)=O)C(NN=C4c5c(ccc(c5)Br)NC4=O)=O	1517
+c1cc(ccc1C(NN)=O)CCCCCCCCCCCC	1518
+c1ccccc1C(Nc2ccc(cc2)Cc3cn(C)c4ccc(C(=O)NO)cc34)=O	1519
+C1CC(CCC1)c2c3ccc(C(=O)NS(=O)(=O)C4CC4)cc3n5CC(C(=O)OC)=Cc6cc(OC)ccc6-c25	1520
+O=S(=O)(c1ccccc1C)NC(c2ccc(Cc3c4c(ccc(c4)C(OC)=O)n(C)c3)c(OC)c2)=O	1521
+C1CN(CCN1CC)c2cc(C#N)c3c(C(N(c4cc(ccc4C)C(=O)Nc5ccon5)C=N3)=O)c2	1522
+C(C)c1cccc(CC)c1C(=O)Nc2sc(nn2)C(CC)(CC)C	1523
+c1cc(ccc1Oc2cc(cc(C(Nc3sccn3)=O)c2)OC4C(=O)N(C)CC4)-c5oc(C)nn5	1524
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnc(cc2)NC(N3CCCC3)=O)F)CCC	1525
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnc(cc2)NC(N3CCCC3)=O)F)CCC	1526
+c1cc(ccc1C(Nc2ccc(cc2)N3C4C(CC3)N(C)CC4)=O)OCCCC	1527
+c1cc(ccc1N2CCN(CC2)Cc3cccc(C#N)c3)NC(=O)c4cccc(c4-c5ccc(cc5)C(C)C)C	1527
+FC(F)(F)c1cc(ccc1-n2cnc(c2)C)C(Nc3ccc(C)c(c3)NC(c4csc5c4ncnc5NC6CC6)=O)=O	1528
+FC(F)(F)c1c(ccc(NC(=O)c2c(CCCCCCCCCCCCCCC)cccc2OC)c1)C#N	1529
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(Nc4ccccc4)=O)CNC(C)=O	1530
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(OC)=O)CNC(=O)NC	1530
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc3c(nc(o3)-c4cccc(c4)NC(=O)c5cccc(c5)N(C)C)n2	1531
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(F)ccc2C(=O)Nc3c(cccc3)C(Nc4ccc(Cl)cn4)=O	1532
+c1cc(ccc1C(OCC)=O)NC(c2ccc3c(N(S(=O)(=O)c4c(OC)ccc(Cl)c4)CCO3)c2)=O	1532
+c1cc(ccc1NC(c2ccc3c(c2)C(C)(C)CCC3(C)C)=O)C(Nc4c(N)cccc4)=O	1532
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(F)ccc2C(=O)Nc3c(cccc3)C(Nc4ccc(Cl)cn4)=O	1533
+Clc1cncc(Cl)c1NC(c2ccc(SC)c(OC3CCCC3)c2)=O	1534
+c1cc(ccc1C#N)NC(c2ccc(OC)cc2[N+]([O-])=O)=O	1534
+c1ccccc1NC(=O)c2c(Cl)cccc2C	1534
+c1cc(ccc1)CN2CCC(OC(=O)c3cc(c(cc3)[N+]([O-])=O)OC)C2	1535
+O=C1CCC(=O)N1OC(=O)c2c(OCCCN=[N+]=[N-])ccc(c2)C(=O)C	1536
+FC(F)(F)c1ccc(cc1)C(c2c(c3C(CC(C)(C)Oc3cc2C(C)C)=O)C4=CCCCC4)=O	1537
+O=S1(=O)CCN2CCCC(c3ccc(cc3)Oc4ccc(F)c(C)c4)C2=N1	1538
+c1cc(ccc1C(=O)OC)C2C=CC=[N+]([O-])C2=O	1539
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4cccc(C)c4	1540
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4cccc(C)c4	1541
+FC1(F)CCC2(CC1)C(=C(C(N2)=O)c3c(C)ccc(c3)-c4cc(c(Cl)cc4)F)O	1542
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(cc3)C	1543
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(cc3)C	1544
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	1545
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	1546
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	1547
+c1cc(ccc1F)CCc2c(cc(CBr)cc2)C(OC)=O	1548
+c1cc(ccc1OC(=O)C)CBr	1549
+C(Br)c1cc(c(Cl)cc1F)OC	1550
+CC(C)c1cc(cc(C(C)C)c1CBr)C(C)C	1551
+Fc1cc(CBr)c(F)cc1Cl	1552
+FC(F)(F)c1cc(CBr)c(cc1)Oc2cccc(c2)C(C(=O)O)C	1553
+N#Cc1cc(F)c(cc1F)CBr	1553
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CBr)cc1)Br)CC	1553
+c1c(c(Cl)cc(c1)CBr)OCC=C	1553
+c1cc(cc(OCCC)c1OC)CBr	1553
+c1cccc(CCCCCCCCC)c1CBr	1553
+O=S(=O)(N)c1c(c(SC)cc(CBr)c1)Cc2ccccc2	1554
+C(c1cccc2ccc(OC)cc12)C#N	1555
+c1(cc(CC#N)cc2c1OCO2)OC	1556
+C(c1cccc2ccc(OC)cc12)C#N	1557
+c1(cc(CC#N)cc2c1OCO2)OC	1557
+c1cc(ccc1CN2C(=O)N(N=C(OC)C2=O)c3c(CC#N)cccc3)Cl	1557
+c1ccccc1Sc2ccc(cc2C)CC#N	1557
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCc3cc(CC#N)ccc3	1557
+C(C#N)c1cc(c(Cl)cc1F)OC	1558
+C(C#N)c1cc(c(Cl)cc1F)OC	1559
+Cc1cccc(C)c1COc2cccc(CC#N)c2C	1559
+Clc1cc(c(Cl)c(CC#N)c1)OC	1559
+FC(F)(F)COc1c(F)ccc(CC#N)c1	1560
+CC(C)c1c(CC(O)=O)cc2OCOc2c1	1561
+O(C)c1cc(cc(OC)c1OC)CC(=O)O	1562
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN(c3ncccn3)C	1563
+c1cc(ccc1CC2SC(NC2=O)=O)OCCN(c3nc4ccccc4s3)C	1563
+c1cc(ccc1Cl)CCC(=O)C2(CC2)Sc3ccccc3	1564
+C(CO)Cc1c(CC#N)cccc1	1565
+c1cc(ccc1)C(CCc2ccc(cc2)C(=O)O)=O	1566
+c1cc(ccc1C(CCc2cc(OC)c(cc2)O)=O)O	1567
+c1(c(c(c(OC)c(c1C)CC[N+]([O-])=O)C)C)OC	1568
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CC[N+](=O)[O-]	1568
+c1cc(CC[N+](=O)[O-])cc(C)c1OC	1568
+C1CN(CCC12OCCO2)CCc3c(OC)cc4cccnc4c3	1569
+C1CN(CCC12OCCO2)CCc3c(OC)cc4cccnc4c3	1570
+c1cc(ccc1CCC(NCCc2cc(OC)cc(OC)c2)=O)F	1571
+c1(c(c(c(OC)c(CCN)c1C)C)C)OC	1572
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CCN	1572
+c1cc(cc(C)c1OC)CCN	1572
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3cc(ccc3C)CCN)n2)=O	1573
+FC(F)(F)COc1cc(ccc1F)CCN	1573
+FC(F)(F)COc1cc(ccc1F)CCN	1574
+c1(c(c(c(OC)c(CCN)c1C)C)C)OC	1575
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CCN	1575
+c1c(OC)cc(cc1CCN)OC	1575
+c1cc(cc(C)c1OC)CCN	1575
+COc1cc2c(cc1CC=O)nccc2	1576
+c1(c(c(CC=O)ccc1)OC)OC	1576
+FC(F)(F)c1ccc(cc1)-c2sc(CCCc3cc(C)c(OCC(=O)OCC)cc3)c(C)n2	1577
+c1c(OC)c(Cl)ccc1CCl	1578
+c1c2c(cc(c1)CCl)N(c3c(nccn3)S2)COC	1579
+c1c(CCl)c2c(ccc(OC)c2)cc1	1580
+c1(cc(cc2c1OCO2)CCl)OC	1581
+COc1cc(cc(OC)c1Cl)-c2cc(CCl)ccn2	1582
+c12cc(ccc1cc(CCl)cc2)C	1582
+COc1cc(cc(OC)c1Cl)-c2cc(CCl)ccn2	1583
+c1cc(ccc1CCl)-c2[nH]c3ncnc(NCc4ccc(nc4)OC)c3c2	1584
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CCl	1585
+c1cc(ccc1C)S(=O)(=O)Oc2c(ccc(CCl)c2)OC	1585
+ClCc1c(F)ccc(I)c1C	1586
+C1CC1C(Oc2cccc(c2)CCl)C	1587
+CC(C)(C)c1cc(c(OCc2ccccc2)cc1)CCl	1588
+CC(C)(C)[Si](C)(C)Oc1c(OC)ccc(c1)CCl	1589
+c1cc(ccc1N(Cc2ccc(cc2)C#CCCCCCCCC)C(=O)C)C=CC(=O)OCC	1590
+c1cc(ccc1)CNC(=O)N(CC)Cc2c(ccc(-c3cnc(OCC)cc3)c2)-c4cc(CC(OCC)=O)ccc4OC	1591
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)C(OCC)OCC	1592
+C[Si](C)(C)c1ccc(cc1)CN(CCc2cc(ccc2)C(F)(F)F)C(=O)c3c4[nH]ccc4cc(Cl)c3F	1593
+c1ccccc1COC(NC2CCN(C3CCC(N(Cc4ccc(cc4)OC)C)CC3NC(C)=O)C2=O)=O	1594
+c1cc(ccc1)OCCC2(CCN(CC2)Cc3cc(c(cc3)OCC=C)Cl)C(OCC)=O	1595
+C1CN(CCN1c2cc(ncn2)O)Cc3ccccc3C	1596
+c1c(F)cc(cc1CC2NC(OC2C3N(Cc4ccccc4C3)Cc5ccc(cc5)OC)=O)F	1596
+c1cc(ccc1)C(OCCOc2cccc(CN3CC(Nc4c5ccncc5ccc4)CC3)c2)=O	1596
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	1597
+C1CN(CCN1c2ncccc2)Cc3cc4ccc(C)cc4cc3	1597
+c1cc(ccc1CN2CC(C2)C(=O)O)-c3onc(-c4cc(C#N)c(OC(C)C)cc4)n3	1598
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	1599
+C1CN(CCO1)Cc2cc([N+](=O)[O-])c(cc2)[N+](=O)[O-]	1600
+C1CN(CCO1)Cc2cc(c(Br)cc2)F	1600
+C1CCN(C1)Cc2ccc(cc2)NC(=O)c3ccc(Cc4cc(cc5c4oc(C(C)C)c5)Cl)o3	1601
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	1601
+C1CN(CCN1Cc2cc(ccc2OCc3ccccc3)C=O)c4ccccc4	1601
+C1CN(CCN1c2ncccc2)Cc3cc4ccc(C)cc4cc3	1601
+C1COCCN1Cc2cc3c(cc2)n(c(CN(C(=O)c4c(ccc(F)c4)F)CCC)n3)CCC	1601
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cccc(CN(C)C)c4)nc12	1601
+c1cc(ccc1)OCCC2(CCN(CC2)Cc3cc(c(cc3)OCC=C)Cl)C(OCC)=O	1601
+c1cc(ccc1CN2CCC(CC2)c3nnc([nH]3)-c4cnc(cc4)OC)-c5c(cc6c(ccnc6O)n5)-c7ccccc7	1601
+c1cc(ccc1SC)CN2CCN(CC2)CCO	1601
+c1cc(ccc1)CN(C)Cc2ccc([N+](=O)[O-])c(c2)OC	1602
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CN3CCCC3=O)cc1)Br)CC	1603
+C1CCC1N(Cc2ccc(cc2)N3CCN(CC3)C(C)=O)S(=O)(=O)Cc4ccccc4	1604
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(OC)=O)CN3C(=O)c4ccccc4C3=O)[N+]([O-])=O	1605
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C	1606
+c1cc(ccc1C(NCc2c3c(nc(cc3)NCc4oc(C)cc4)ccc2)=O)F	1607
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	1608
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	1609
+c1ccccc1COC(NC2CCN(C3C(CC(CC3)NCc4ccc(cc4)OC)NC(C)=O)C2=O)=O	1610
+c1cc(ccc1)-c2nc3c(cc(OC)c(c3)CNC4C(NCCC4)c5ccccc5)s2	1611
+c1cc(ccc1)-c2nc3c(cc(OC)c(c3)CNC4C(NCCC4)c5ccccc5)s2	1612
+CCCN(CCC)CCCCN1CCc2c(ccc(CNCc3n(ccn3)C)c2)C1	1613
+C1CC1NCc2c(Cl)ccc(c2)CCNC(C)=O	1614
+CCCN(CCC)CCCCN1CCc2c(ccc(CNCc3n(ccn3)C)c2)C1	1614
+FC(F)(F)c1ccc(cc1)CNCc2cc(ccc2Br)OC	1615
+c1ccccc1CCNCc2c(OCCCN3CCOCC3)c(OC)ccc2	1616
+c1ccccc1CCNCc2cc(OC)ccc2OCCCN(C)C	1616
+c1cc(ccc1)Oc2ncccc2NCc3c(O)cccc3	1617
+c1c2c(cc(c1)CNc3c4ccccc4nc(c3)C)N(c5c(nccn5)S2)COC	1618
+CC1(C)C(C)(C)OB(O1)c2c(CNc3ccccc3)ccc4ccccc24	1619
+c1cc(c(CNc2cc(c(Cl)cc2)NC3=C(C(=O)CCC3)C)cc1)C	1620
+ClC(Cl)=C(Cl)c1cc(CN=[N+]=[N-])cc(C)c1	1621
+[N-]=[N+]=NCc1ccc(c(c1)F)C#N	1622
+c1cc(ccc1Oc2cc(ccc2)CN)OC	1623
+CC(C)(C)OC(N1CCC(CC1)Nc2ccccc2CN)=O	1624
+C(c1cc(C#N)cc(-c2onc(n2)-c3ncccc3)c1)N	1625
+c1(Cl)cncc(Cl)c1COC2OCCCC2	1626
+c1c(C)c(c(cc1COC)C)Oc2nc(cc(NC(CC)CC)c2C)C	1627
+Cc1cccc(C)c1-c2c(C)c(COS(=O)(=O)C)ccc2	1628
+CC(C)(C)OC(COc1ccc(cc1COS(=O)(=O)C)Cl)=O	1629
+c1cc(ccc1OCC)COc2cc(C=O)ccc2	1630
+CC(C)(C)OC(N1CCCC(c2cc(-c3c(cccc3O)OCc4ccc(cc4)C)nc(N)n2)C1)=O	1631
+c1cc(ccc1-n2ccc3ccccc23)OCc4ccc(cc4)C#N	1632
+c1cc(ccc1COc2cc(I)cc(Br)c2)OC	1633
+CC(C)(C(=O)OCC)c1ccc(cc1)OCc2ccccc2C(OCC)=O	1634
+c1ccc(OCc2nc3c(cccc3)cc2)cc1COc4cc(ccc4)C#N	1635
+c1(c(cc(C#N)c(c1)F)F)COc2cc(c(Cl)cc2)Cl	1636
+c1(c(cc(C#N)c(c1)F)F)COc2cc(c(Cl)cc2)Cl	1637
+CC(C)(C)OC(NC(C(=O)N(c1ccc(cc1)OC)C)Cc2cccc(CO)c2)=O	1638
+CC(C)(C)CN1C(N(C)c2nc(-c3c(C)ccc(CO)c3)ccc12)=O	1639
+C1CC1C(Oc2cc(ccc2)CO)C	1640
+FC(F)(F)c1cc(CO)cc(-n2nnnc2C)c1	1640
+c12c(cc(cc1sc(Br)n2)CO)F	1640
+c1cc(ccc1F)CCc2ccc(cc2C(OC)=O)CO	1640
+c1c(OC)c(c(cc1-c2nccc(CO)c2)OC)Cl	1641
+C(O)c1c(F)ccc(I)c1C	1642
+CC(C)c1cccc(C(C)C)c1CO	1642
+Cc1cc(cc(C)c1OC)CO	1642
+Nc1cc(c(CO)cc1Cl)OC	1642
+c1c(OC)c(Cl)ccc1CO	1642
+FC(F)(F)c1cc(cc(c1)COS(=O)(=O)C)-n2c(C)nnn2	1643
+c1cc(ccc1Cc2c(C)cc(cc2)OC)C	1644
+c1cc(ccc1)CN2c3cc(ccc3OCC2)Cc4c(C(C)C)ccc(Br)c4	1645
+c1ccccc1CN2CCCc3c2cc(Cc4c(C(C)C)ccc(Br)c4)cc3	1645
+c1cc(ccc1)Cc2cc(OC)c(c(c2)Br)OCCOC	1646
+CC(C)(C)OC(Nc1cc(C)c(c(C)c1)Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)=O	1647
+c1(ccc(Br)c(Cc2cc3c(OCCO3)cc2)c1)I	1648
+c1(ccc(Br)c(Cc2cc3c(OCCO3)cc2)c1)I	1649
+O(c1c(Cc2cc3c(s2)cccc3)cc(Br)c4c1cccc4)C	1650
+c1(cc(cc(OC)c1OC)Cc2ccc(cc2)OC)OC	1651
+C1COCCN1c2cc3c(nc(C)n3Cc4cccc(C)c4F)c(C(=O)OC)c2	1652
+FC(F)(F)c1c(c(Cn2c(nc3c2cc(N4CCOCC4)cc3C(OC)=O)C(F)F)ccc1)C	1653
+c1cc(ccc1)S(=O)(=O)C(=Cc2cc(-c3ncn(C)c3-c4ccc(cc4OCC5CC5)F)ncc2)C#N	1654
+c1cc(ccc1)S(=O)(=O)C(=Cc2cc(-c3ncn(C)c3-c4ccc(cc4OCC5CC5)F)ncc2)C#N	1655
+C1CN(CCN1c2cccc(Cl)c2)CCC=Cc3ccc4c(c3)CCC(N4)=O	1656
+c1cc(ccc1O)C=NNc2nnc(Cl)c(C3CCC3)c2	1657
+c1(C)cc(ccc1[N+]([O-])=O)C=NO	1658
+CC(C)(C)OC(=O)N(C)Cc1cc(F)c(C=NO)cc1	1659
+CC1(C)c2cc(c(F)cc2B(O)O1)C=NO	1660
+FC(F)(F)C1(CC(C)(C)c2c(C=O)cccc2)OC1	1661
+C1CC1COc2c(-c3c(-c4nccc(C=O)c4)ncn3C)ccc(c2)F	1662
+O=Cc1c(N)cccc1OC	1662
+c12c(F)cc(C=O)cc1sc(Br)n2	1662
+c12c(F)cc(C=O)cc1sc(Br)n2	1663
+CC(C)n1c2cc(C=O)ccc2nn1	1664
+CCCN(CCC)CCCCN1CCc2cc(C=O)ccc2C1	1665
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2cc(C=O)c(Cl)cc2	1665
+O=S(=O)(N(c1cccc(c1)C=O)Cc2cccnc2)CC	1665
+c1(cc(cc(C)c1OC)C=O)C	1665
+c1ccccc1-c2sc3c(cc(C=O)c(OC)c3)n2	1665
+c1(cc(c(C)cc1)Br)C=O	1666
+c1cc(ccc1NS(=O)(=O)C)C=O	1666
+c1ccccc1C(c2cc(c(N3CC(C)OC(C3)C)c(c2F)F)C=O)=O	1667
+O=Cc1cc(ccc1Cl)CCNC(C)=O	1668
+CC(C)(C)OC(COc1c2c(C(CCC2)NS(=O)(=O)c3ccc(cc3)-c4ccccc4)ccc1)=O	1669
+FC(F)(F)c1cc2N(CCCC(c2cc1C)N=[N+]=[N-])C(=O)OC(C)(C)C	1670
+FC(F)(F)c1c(cc2C(N)CCCN(C(OC(C)(C)C)=O)c2c1)C	1671
+FC(F)(F)c1c(cc2C(N)CCCN(C(OC(C)(C)C)=O)c2c1)C	1672
+O(C(=O)CCCc1ccccc1N(C(c2cc(c(cc2)Cl)Br)=O)C)C	1673
+O(C(=O)CCCc1ccccc1N(C(c2cc(c(cc2)Cl)Br)=O)C)C	1674
+C1CN(CCN1)c2cccc3n(ccc23)S(=O)(=O)c4c5ccccc5ccc4	1675
+C1CNCCN1c2c3c([nH]c(C(OC)=O)c3)ccc2	1676
+O=S(=O)(N(CCO)c1c(C2CC2)cc3c(nn(-c4ccc(C)cn4)c3C(NC)=O)c1)C	1677
+C(Oc1c2c(C(=O)N(C2=O)c3ccc(cc3)CC(OCC)=O)c(c4c1cccc4)OCC)C	1678
+CC(C)OC(CN1C(N(C(N(C)C1=O)=O)c2c(cc(c(N3C(c4c(C3=O)c(F)ccc4)=O)c2)F)Cl)=O)=O	1679
+c1c(OC)c(ccc1)N2C(=Nc3cccc(Cl)c3C2=O)CCl	1680
+CC(C)(C)OC(=O)NC(C(NC1C(Nc2c(cccc2C1)N3CCCC3=O)=O)=O)CC(C)C	1681
+c1cc(ccc1-c2ccc(cc2C)N3C(CCC3)=O)C(OC)=O	1681
+C1CN(CCN1c2ccc(C(Nc3c4c(n[nH]3)ccc(Cc5cc(F)cc(c5)F)c4)=O)c(NC6CCOCC6)c2)C	1682
+CC(C)Nc1ccc(cc1)C(C(=O)Nc2ccc(cc2)-c3cc(C)ncc3)C	1682
+O=S(=O)(CCCCC)NC(=O)c1cc(c(NC(=O)C)cc1)N(C)Cc2ccc(Cl)cc2Cl	1683
+c1c(NC(C)=O)ccc2OCc3n(cc(C(=O)OC)n3)-c12	1683
+CC(C)N1C(=O)C(CC)(CC)c2cc(NC(C)=O)ccc12	1684
+c1(NC(=O)C)c(Cl)cc(F)c(OCC)c1Br	1684
+c1cc(ccc1NC(=S)N)F	1685
+c1cc(ccc1-c2nc(C)ns2)NC(=S)N	1686
+NC(Nc1cc(ccc1OC)Br)=S	1687
+C(N)(Nc1c(cccc1)OCCC)=S	1688
+CN(C)CCOc1ccccc1NC(=S)N	1688
+C(N)(Nc1c(cccc1)OCCC)=S	1689
+CN(C)CCOc1ccccc1NC(=S)N	1689
+c1ccccc1C(NC(=S)Nc2ccccc2OCCN(C)C)=O	1690
+c1ccccc1C(NC(Nc2ccccc2OCCC)=S)=O	1690
+CC(C)(C)c1nn(C)c(c1Cl)C(Nc2c(c(nc(c2)-c3ccccc3Cl)OC)[N+](=O)[O-])=O	1691
+CC(C)(C)OC(=O)N(C1CC(CCC1)c2c[nH]c3ccc(NC(=N)c4sccc4)cc23)CC	1692
+c1cc(NC(CC(Nc2ccccc2OC)=O)=O)cc(c1Oc3ccnc4cc(sc34)-c5ncn(CCC)c5)F	1693
+C1(C)CN(CC(C)N1)CC(=O)Nc2cccc(c2C)F	1694
+C1CCCCN1CC(Nc2ccc(cc2)C(=O)N3CC4(CC3CC(C)(C)C4)C)=O	1694
+Clc1cc(cc(Cl)c1N2C=3C(=C(N2)C(C)C)C(=O)N=C(Cc4ccc(cc4)NC(=O)CN5CCNCC5)N=3)Cl	1694
+CC(C)(C)c1cc(c(c(c1)NC(C(=O)c2c3ccccc3c(cc2)OCCN4CCOCC4)=O)OC)Cl	1695
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4c(cc(cc4)NC(=O)C5CCOC5)C#N	1696
+CC1(C)CC2(CC(C1)N(C(c3ccc(cc3)NC(=O)CCl)=O)C2)C	1697
+c1cc(c(cc1Cn2c3cccc(NC(=O)CCl)c3cc2C(=O)OCC)Cl)Cl	1698
+c1cc(ccc1C(C)C)C2=NC(=O)N(c3ccc(cc23)OCC#C)Cc4cc(NC(CCl)=O)ccc4	1698
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)Nc2cc(Cl)c(OCC(OCC)OCC)cc2	1699
+C(OCCCl)CC(Nc1ccc(cc1C)C(=O)OC)=O	1700
+c1cc(ccc1-c2cc(C)ncc2)NC(C(c3ccc(cc3)[N+]([O-])=O)C)=O	1700
+C1C2CC3CC1CC(C2)(C3)C(Nc4ccc5nc(N)sc5c4)=O	1701
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4ccc5[nH]c(cc5c4)C(CO)C	1701
+C1CCCC1CC(Nc2cc3c(cc2)n(cc3Cc4c(cc(C(=O)O)cc4)OC)C(=O)C)=O	1701
+CC(C)(C)CC1NC(C(C12c3c(cc(cc3)Cl)NC2=O)c4cc(Cl)cc(c4)F)C(Nc5c(cc(cc5)C#N)OC)=O	1701
+CC(C)(C)OC(NC(C(Nc1ccc(cc1)CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O)=O)CC(C)C)=O	1701
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)Nc2cc(Cl)c(OCC(OCC)OCC)cc2	1701
+O=S(=O)(CC)N1CCN(CC1)c2ccc(cc2)NC(C3CCc4cc(OC)cc(N5CCN(CC5)C)c4O3)=O	1701
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5c(ccc(c5)NC(=O)CN(C)C)C)=O)n2	1701
+c1cc(ccc1C(C)(C)C(Nc2cc(ccc2)OCCOC)=O)S(=O)(=O)C=CC#N	1701
+C1CC(CCC1)C(=O)Nc2cc(ccc2)CCN3CCN(CC3)c4cccc5c4ccc(C)n5	1702
+c1ccccc1C(CC)C(Nc2ccc(c(C(=O)N)c2)I)=O	1702
+CC(C)(C)OC(N(c1c(NC(COc2ccc(cc2)CC3SC(=O)NC3=O)=O)ccc(SC)c1)C)=O	1703
+CC(C)(C)[Si](C)(C)OCC(C(=O)OC)N1C(c2cccc(c2C=C1)NC(C(C)c3ccc(cc3)Cl)=O)=O	1703
+CC(C)(CO)c1n(c2cc(F)c(cc2c1)NC(=O)C3(CC3)c4cc5OC(F)(F)Oc5cc4)CC6OC(C)(C)OC6	1703
+c1cc(ccc1)C(c2ccccc2)C(Nc3ccc(cc3)S(=O)(=O)N(CC)CC)=O	1703
+c1cc(ccc1Oc2ccccc2)CC(Nc3cc4c(nn(c4)CCN(C)C)cc3)=O	1703
+c1cc(ccc1F)CC2CN(CCC2)C3CCC4CN(CC34)C(=O)Nc5cc(-c6n(nnn6)C)cc(CC)c5	1704
+CC(C)(C)c1ccc(cc1)NC(N2C3CN(CC2CC3)c4ncccc4Cl)=O	1705
+C1CCCC1NC(Nc2ccc(cc2)-c3nn(CC)cc3-c4c5cc[nH]c5ncc4)=O	1706
+CC(C)(C)OC(N1CCC(CC1)NC(=O)Nc2c(c(c(cc2I)C)F)F)=O	1707
+c1cc(ccc1-c2nnnn2C)NC(=O)NCCCN3CC(CCC3)Cc4ccc(cc4)F	1708
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(NCCO)=O)=O	1709
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(NCCO)=O)=O	1710
+c1cc(ccc1-c2nnnn2C)NC(=O)NCCCN3CC(CCC3)Cc4ccc(cc4)F	1710
+CC(C)(C)CCNC(Nc1cc(c(Br)cc1F)-c2c(nc3c(cnc(SC)n3)c2)C)=O	1711
+c1ccccc1COC2CCCCC2NC(Nc3c(c(S(=O)(=O)N)c(Cl)cc3)O)=O	1712
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	1713
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	1714
+CC(C)(C)c1cc(n(n1)-c2ccccc2)NC(=O)Nc3cc(Oc4c5cc(OC)c(cc5ncn4)OCCOC)ccc3	1715
+CN(C)CCCOc1ccc(Cl)cc1NC(Nc2ncc(C#N)nc2)=O	1716
+CN(C)CCNc1ncc2C=C(C(=O)N(c2n1)OC)c3cc(NC(=O)Nc4cc(c(cc4)OC)Cl)ccc3Cl	1717
+c1cc(ccc1N(CCCl)CCCl)NC(=O)Nc2cccc(c2)NC(CCN(C)C)=O	1718
+CC(C)S(=O)(=O)c1ccc(NC(=O)N(C)C)cc1C#N	1719
+CC(C)(C)OC(Nc1c(cc(cc1)OCC)C)=O	1720
+CC(C)(C)OC(Nc1ccc(c(-c2ccc(cc2C)C(=O)CC)c1)C)=O	1721
+CC(C)OC(Nc1c(C(OC)=O)ccc(Br)c1)=O	1722
+c1cc(ccc1-c2nn(CC)cc2-c3c4cc[nH]c4ncc3)NC(=O)OC	1722
+C1CCCC1OC(=O)Nc2cc3c(cn(C)c3cc2)Cc4ccc(C(=O)OC)cc4OC	1723
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(=O)Oc5ccccc5)=O	1723
+CC(C)(C)c1cc(c(OC)c(CO)c1)NC(=O)OCC(Cl)(Cl)Cl	1723
+c1cc(ccc1)OC(=O)Nc2cc(-c3n(nnn3)C)ccc2	1723
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)-c3nnnn3C	1723
+c1(cc(Cl)cc(c1NC(c2n(-c3c(Cl)cccn3)nc(Br)c2)=O)Cl)NC(=O)OC	1724
+CN(C)CC1Cc2ccc(cc2CC1)NC(c3[nH]cc(-c4ccc(cc4)Cl)c3)=O	1725
+c1cc(ccc1S(=O)(=O)N2CCC(C)(C)CC2)NC(c3ccc([N+](=O)[O-])o3)=O	1726
+c1cc(ccc1)C(=O)c2ccc(C(=O)Nc3cccc(c3)C=CC(OCC)=O)o2	1727
+c1cc(ccc1)C(=O)c2ccc(C(=O)Nc3cccc(c3)C=CC(OCC)=O)o2	1728
+Cc1cc(cc(C)c1NC(=O)c2sccc2NS(=O)(=O)c3ccccc3)C	1729
+CC(C)C(N1CCN(CC1)c2ccc(NC(c3ncccc3)=O)cc2Cl)=O	1730
+C1C2(CC1)C(=N)NC(CS2(=O)=O)(c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F)C	1731
+CC(C)(C)OC(=O)N=C1NC2(c3c(F)ccc(NC(=O)c4ccc(cn4)Cl)c3)C(CCS1)C2	1731
+c1cc(ccc1OC(F)(F)C)NC(=O)c2cc(c(nc2)Cl)Br	1732
+c1(Cl)c(C(Nc2c(cc(C)cc2)O)=O)cc(Cl)s1	1733
+c1cc(ccc1NC(c2ccccc2)=O)Cc3cn(C)c4ccc(C(=O)OC)cc34	1734
+FC(F)(F)Oc1cc(ccc1)C(=O)Nc2c(cc(Cl)c(Oc3c(C#N)c4sc(NC(=O)C5CC5)nc4cc3)c2)F	1735
+CC(C)(C)c1nc(cc(c1)C(=O)Nc2ccc(c(-n3ccn4c3cc(-c5cccnc5)n4)c2)C)Cl	1736
+O(C(=O)CCCc1ccccc1NC(c2ccc(Cl)c(Br)c2)=O)C	1737
+c1cc(ccc1)COc2c(C(Nc3c(C)cccc3)=O)cc(c(OCc4ccccc4)c2)Br	1737
+CC1(C)C(C)(C)OB(O1)c2c(C)c(cc(F)c2)NC(c3c(cc(C4CC4)cc3)F)=O	1738
+C1CCCN1c2c(c(nc(Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)n2)C)CC(OC)=O	1739
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(OCc3ccccc3)ccc2NC(c4c5ccccc5ccc4)=O	1740
+c1c(Cl)c(c(cc1)Cl)C(=O)Nc2ccc(cc2)CC(C(OC)=O)NC(c3c(cccc3Cl)C)=S	1740
+c1c(Cl)c(c(cc1)Cl)C(Nc2ccc(cc2)CC(NC(=S)C3(CCCC3)CCCCS(=O)(=O)C)C(=O)OC)=O	1740
+c1ccccc1C(=O)Nc2ccc(cc2)CN3CC=C(CCC(OC)=O)C3=O	1740
+C1CN(CCN1c2cccc3nc(C)ccc23)CC(C)c4cc(NC(=O)c5c(F)cccc5)ccc4	1741
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc3c(nc(s3)-c4ccccc4NC(c5cccc(-c6[nH]nnn6)c5)=O)c2	1741
+CC(C)(C)OC(n1c2c(cn1)ccc(c2)NC(=O)c3ccccc3O)=O	1741
+c1(cccc(NC(CCC)=O)c1)NC(=O)c2cccc(Cl)c2	1741
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5cc([N+]([O-])=O)ccc5C)=O)n2	1742
+c1cc(ccc1NC(Nc2ccc(cc2)C#N)=S)NNC=O	1743
+c1ccccc1C(=S)Nc2c(Cl)c(ccc2)C	1744
+FC(F)(F)C(=O)NCC#Cc1cc(NCC2(CCCCC2)O)ccc1	1745
+O=S(=O)(c1ccc(cc1)NCC2CCCC2)C	1746
+c1ccccc1COc2ccc(cc2)CCCNc3ccc(cc3)C(OCC)=O	1747
+FC(F)(F)c1cc(c(cc1)-c2ncnc(Oc3c4c(ccc3)sc(NC(C)=O)n4)c2)NCC5CCCCC5	1748
+CC(C)CNc1cc(ccc1NC(=O)COc2cc(ccc2)OCC)O	1749
+c1cc(ccc1)S(=O)(=O)NC(=O)c2cc(c(NC(C)=O)cc2)NCc3ccc(cc3)OCc4ccccc4	1750
+c1cc(ccc1C(C)C)C(=O)c2cc(OCC#C)ccc2NCc3cc(ccc3)[N+](=O)[O-]	1750
+c1ccccc1CCNc2c(cc(cc2S(=O)(=O)N)C(O)=O)NCc3ccccc3	1750
+FC(F)(F)c1cc(c(CNc2cc(c(cc2)-c3ccc(cc3C)Cl)Cl)cc1)Br	1751
+FC(F)(F)c1cc(-c2c(cc(cc2)NCc3c(cccc3F)F)F)n(C)n1	1752
+CC(C)(C)NS(=O)(=O)c1cc(ccc1S(=O)(=O)CC)NC=O	1753
+FC(F)(F)c1ccccc1-c2nc(O)c3cc(ccc3c2)NC(CNCCO)=O	1754
+c1cc(ccc1-c2c(c3cc(Br)c(cc3o2)NS(=O)(=O)C)C(OCC)=O)F	1755
+C1CN(CCC12Oc3c(C(=O)C2)cc(NS(=O)(=O)C)cc3)C	1756
+C1CN(CCN1C(C)=O)c2ccc(NS(=O)(=O)C)c(c2)C	1756
+CC(C)(C)C1C(=C(C=2N=S(C)(c3cc(ccc3N=2)NS(=O)(=O)C)=O)C(N1Cc4cc(Cl)c(cc4)F)=O)O	1756
+CC(C)(C)OC(NCc1cccc(NS(=O)(=O)C)c1)=O	1756
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(CCC2)Cc3ccc(cc3)NS(=O)(=O)C	1756
+CC(C)(C)c1ccc(cc1)CN2c3c(N(Cc4ccc(cc4)NS(=O)(=O)C)C2=O)cccc3	1756
+O=S(=O)(C)Nc1ccc2c(c1)C3=NC=C(C(OCC)=O)C(=O)N3C=C2C	1756
+O=S(=O)(Nc1ccc2n(CC(OCC)=O)c(cc2c1)C)C	1756
+c1cc(ccc1Cl)-n2c(c3c(n2)cc(NS(=O)(=O)C)c(C4CC4)c3)C(=O)NC	1756
+CC1(C)C(=C(c2ccc(cc2)F)c3c(O1)cc(cc3)NS(=O)(=O)C)F	1757
+FC(F)(F)S(=O)(=O)Nc1cc(c(C)cc1C)N2C(CC2)=O	1758
+O=S(=O)(c1c(CC2CN3CCC2CC3)cc(F)cc1)Nc4ccc5c(c4C(=O)OC)OCC6CC56	1759
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C3C4C(CN(C(=O)CC)C4)C3	1760
+O=S(=O)(Nc1ccc2c(c(C(=O)C)c[nH]2)c1)c3ccccc3	1760
+C1CCCC1c2n3N=C(NC(=O)c3c(C)n2)c4cc(NS(=O)(=O)c5cc(C#N)ccc5)ccc4OCCC	1761
+FC(F)(F)C(NC1C2N(CCC1)c3c(cc(NS(=O)(=O)c4ccccc4)c(Cl)c3)Oc5ccccc25)=O	1761
+FC(F)(F)Oc1cc(ccc1)S(=O)(=O)Nc2cc(c(cc2)OC)C3CN(CC3)C(=O)CC	1761
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)NS(=O)(=O)c4ccc(cc4)C(C)C	1761
+C1CN(CCO1)c2nc(-c3c(c(ccc3)NS(=O)(=O)c4c(F)ccc(c4)F)F)c(-c5ccnc(n5)Cl)s2	1762
+c1c(Cl)c(c(cc1)Cl)Nc2ccccc2CS(=O)(=O)NCCOCCO	1763
+S(C)(Cc1cccc(c1)Nc2nc(ncn2)Cl)(=O)=NC(OCC)=O	1764
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(c(cc2)C)-c3cc(ccc3)Nc4ncccc4Br	1765
+c1c(cccc1O)Sc2c(cc(C)cc2)Nc3ccnc4nc(C)ccc34	1766
+c1c(cccc1O)Sc2c(cc(C)cc2)Nc3ccnc4nc(C)ccc34	1767
+FC(F)(F)c1ccc2c(ccnc2c1)Nc3ccc(cc3)S(=O)(=O)N4CCN(CC4)c5cc(CCC)cc(CCC)c5	1768
+c1nc2c(c(Nc3cc(c(Cl)cc3Cl)OC)c1C#N)cc4cc(c(OCCCl)cc4c2)OC	1769
+c1nc2cc3cc(c(OC)cc3cc2c(Nc4cc(c(Cl)cc4Cl)OC)c1C#N)O	1769
+c1cc(ccc1C(C)(C)C#N)Nc2c3c(ccc(Br)c3)ncc2[N+](=O)[O-]	1770
+c1cc(ccc1Nc2nc(C(N)=O)c(NC(=O)c3ccc(cc3)F)s2)OC	1771
+COc1cc(ccc1Cl)Nc2scc(n2)C(=O)O	1772
+C1CN(CCN1C)c2ccc(cc2)Nc3nc(c(C(c4cc5OCOc5cc4)=O)s3)N	1773
+CC(C)(C)OC(NCCCn1c(Nc2cc(OC)c(c(OC)c2)OC)nc3c1cc(cc3)C(OC)=O)=O	1774
+O=S(=O)(Cc1cc(Nc2nc(c(cn2)F)-c3c(cc(c(F)c3)F)F)cc(c1)F)CCC	1775
+O=S(=O)(c1c(Nc2nc(Nc3c(OC(C)C)cc(c(Br)c3)C)ncc2C)cccc1)C(C)C	1775
+c1cc(ccc1Cl)C2c3nc(nc(c3CC2)N(C)C)Nc4cc(OC)c(cc4)-n5cc(nc5)Cl	1775
+C1CC(CCN1c2cc(OC)c(Nc3nc(c4c(n(C5OCCCC5)cn4)n3)NC6CCCCC6)cc2)N7CCCC(C7)O	1776
+FC(F)(F)c1c(Cl)nc(nc1)Nc2ccc(cc2)C(=O)OCc3ccccc3	1776
+c1cc(ccc1N2CCN(CC2)C)Nc3nc4N(Cc5ccccc5Br)C(=O)C=Cc4cn3	1777
+c1cc(ccc1N2CCN(CC2)C)Nc3ncc4C=C(C(=O)N(Cc5c(F)cccc5C6CC6)c4n3)Br	1777
+CC(C)(C)OC(=O)n1c(cc2ccccc12)-c3cnc(Nc4cc(ccc4)O)o3	1778
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	1779
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	1780
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	1781
+C1CC(CCN1C)Oc2cccc3ncnc(c23)Nc4ccc(c(C)c4)O	1782
+Clc1ccc(N=C=S)cc1-c2c(cncc2)F	1783
+N(=C=S)c1c(c(ccc1Cl)OC)Cl	1783
+OB(O)c1cc(cc(C(O)=O)c1)N=C=S	1783
+c1cc(ccc1CC(=O)OC)Oc2cc(N=C=S)ccc2	1783
+C1COCCN1CC2COc3c(cccc3)N2N	1784
+FC(F)(F)c1ccc(O)c(NC(=O)c2ccncc2I)c1	1785
+c1c(OC)cc(cc1NC(c2c(cccc2F)F)=S)OC	1786
+C1CC(CCO1)Oc2ccc(cc2C=O)I	1787
+CC(C)(C)OC(=O)N1CCC(Oc2ccc(cc2)F)C1	1787
+c1cc(ccc1)-c2c(cc(cc2)-c3nc4cc(c(OC(C)=O)cc4c(O)n3)OC)F	1788
+c1ccccc1C(=O)c2c(OC(=O)C)cc3c(CCC3C(OC)=O)c2	1788
+c1c(OC)c(c(cc1C)OC)OC(=O)C(C(C)OC)Br	1789
+C1CC1(Oc2cc([N+](=O)[O-])c(cc2Cl)F)C(=O)OCC	1790
+C[Si](C)(C)CCOCn1c(-c2ccc(cc2)OCC(Nc3ccc(cc3)C#N)=O)nc4N=CN(C(=O)c14)CCC	1791
+CC(C)(C)OC(=O)COc1ccccc1CC(c2c3ccccc3n(CCCCC)c2)=O	1792
+c12c(Cl)cccc1CCCO2	1793
+ClC(Cl)=CCOc1cc(c(OCOC)c(c1)Cl)C	1794
+c1cc(ccc1)C(=O)COc2ccc(cc2C)CC(N)=O	1795
+C(OC(CCc1c2ccc(cc2sc1)OCCc3nc(NC)ccc3)=O)C	1796
+CC(C)(C)OC(N1CC(c2cc(OCC3CC3)ccc2C1)O)=O	1797
+c1ccccc1CCCOc2cc(ccc2OC)C3CNC(=O)C3	1797
+CC1(C)C(c2c(C1)c(ccc2)OCCCBr)N3CCCCC3	1798
+Cc1cc(cc(C)c1OCCCBr)-c2nc3c(o2)nc(Cc4ccc(cc4)Cl)nc3OCCC	1798
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(OCCCCBr)c3	1798
+c1cc(ccc1OCCCCl)-c2ccc(cc2C)C#N	1798
+CN(C)CCCOc1cc(-c2c(-c3c(C)cccc3)ccc(C(=O)OC)n2)ccc1Cl	1799
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3CCCc4cc(OCCN(C)C)ccc34)C(C)C	1799
+O=S1(=O)CCCN1c2ccc(cc2)-c3c(c4c(cc(OCCN5CCOCC5)cc4)n3CC)C#N	1800
+c1cc(ccc1OCCCN2CCCC2)-n3c(cc(n3)CC)CC	1800
+CC(C)(C)C(=O)OCN1C=Nc2cc(c(cc2C1=O)OC)OCCCBr	1801
+n1c(NCCCOc2cc3c(cc2)n(cc3)C(C(OC)=O)C)c(cnc1Cl)F	1801
+C1CN(CCC1CCCOc2cc(C)c(c(C)c2)Br)c3nc(C(C)C)no3	1802
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(Br)c2)CO	1802
+C1CN(CCC1)CCOc2ccccc2CCNS(=O)(=O)c3ccc(cc3)Oc4ccc(cc4)F	1803
+C1(=O)c2ccccc2C(=O)N1CCCOc3cc4c(N(C(=O)C(C)(C)C(=O)N4C)CC)cc3	1804
+c1cc(ccc1COC(NCCCOc2ccc3c(CN(C)C(C(C3)CC(OC)=O)=O)c2)=O)[N+]([O-])=O	1805
+FC(F)(F)c1ccc(cc1)-c2csc(CCCOc3cc(c(OCC(OC)=O)cc3C4CC4)C)n2	1806
+CC(C)(C)OC(=O)N1CCc2c(cc(OCC3CCN(CC3)c4ccncc4)cc2)C1	1807
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CCOc3ccc(CCC(OC)=O)c(C)c3	1808
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc(C)c(cc2OC)OC(C)(C)C(=O)OC	1808
+c1cc(ccc1OC(C)C)-c2nc(c(o2)C)COc3cc(C)c(cc3)CC(C(OC)=O)OCC	1809
+c1cc(ccc1Cc2noc(c2)-c3ccc(N)nc3N)OCc4nccc(c4)Cl	1810
+c1cc(ccc1Cc2noc(c2)-c3ccc(N)nc3N)OCc4nccc(c4)Cl	1811
+c1cc(ccc1OCc2nn3ccnc3cc2)C4=C(OC(C)(C)C4=O)c5ccc(cc5)OC	1812
+c1(ccc(Cl)cc1-c2c(c3c(nc(nc3cc2)N)N)Cl)OCc4ncccc4	1813
+c1cc(ccc1OCc2nn3ccnc3cc2)C4=C(OC(C)(C)C4=O)c5ccc(cc5)OC	1814
+c1ccnc(N2CCC(F)C2)c1COc3c(c(ccc3)O)C=O	1815
+c1ccnc(N2CCC(F)C2)c1COc3c(c(ccc3)O)C=O	1816
+n1c(cc(COc2c(OC)cc3c(c2)ncnc3Nc4c(cc(Cl)cc4)F)cc1)Br	1817
+Cc1cc(C(c2cc(OCc3cccc(c3)OC)ccc2)=C)ccc1OC	1818
+n1c(cc(COc2c(OC)cc3c(c2)ncnc3Nc4c(cc(Cl)cc4)F)cc1)Br	1819
+CC(C)c1[nH]nc(c1Cc2ccccc2OCc3cccc(Cl)c3)OC4OC(C(C(C4O)O)O)CO	1820
+C1NCC2C(C)c3cc(Cl)c(cc3C12)OCc4cccc(F)c4	1821
+c1ccccc1COc2ccc3c(CCC45C(CN(C(=O)C)C4)CCC35)c2	1822
+CC(C)(C)OC(CC1c2n(c3ccc(OCc4cc(C(F)(F)F)c(CC5CCCCC5)cc4)cc3c2)CC1)=O	1823
+CC(C)(C)OC(CC1c2n(c3ccc(OCc4cc(C(F)(F)F)c(CC5CCCCC5)cc4)cc3c2)CC1)=O	1824
+O(C)c1c(ccc(C=O)c1[N+](=O)[O-])OC	1825
+c1ccccc1COc2cc3c(cc2)ccc(C#N)c3	1826
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1S(=O)(=O)N2CCOCC2)F	1827
+FC(F)(F)S(=O)(=O)Oc1ccc2C=C(c3cc(Cl)ccc3)N(CC(=O)NC(C)C)C(c2c1)=O	1827
+C1CCC(C1)c2cc(C(=O)c3c(sc(C)c3C)Cc4ccc(cc4)Br)ccc2OS(=O)(=O)c5cc(O)c(C(O)=O)cc5	1828
+CC(C)(C)[Si](C)(C)Oc1c(cc(Oc2c(cc(cc2Cl)[N+](=O)[O-])Cl)cc1)C(C)C	1829
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)Sc2cc3C=C(C)C(C)(C)Oc3cc2	1829
+Cc1cc(cc(C)c1Oc2ccc(OC)c(Oc3ccccc3)c2)[N+]([O-])=O	1830
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)C(CCC)C(OCC)=O)Oc3ccc(cc3)F	1830
+FC(F)(F)c1ccc(Oc2cc(ccc2)C(C(=O)O)C)c(c1)C=O	1831
+Clc1cccc(c1)Oc2cc(OC)ccc2C3CN(C(=O)C3)c4cccc(C(=O)N)c4	1832
+Clc1cc(cc(Oc2ccc([N+]([O-])=O)cc2C=O)c1)CC(OC)=O	1833
+C1N(CC1)C(=O)c2cnc(cc2)Oc3cc(C(Nc4nn(C)cc4)=O)cc(OC(C)COC)c3	1834
+c1cnccc1-c2nc(Oc3c(C)cccc3)c(cn2)C(OCC)=O	1835
+C1CCCN1CCOc2ccc(cc2)N(Cc3cccc(OC4OCCCC4)c3)S(=O)(=O)c5c(C#N)cccc5	1836
+c1cc(ccc1S(=O)(=O)NCC(CC(=O)Nc2ccccc2)c3ccc(cc3)Cl)C	1837
+FC(F)(F)c1nn(cc1CO)Cc2cc3CCC(NS(=O)(=O)c4c(cccc4)OC)c3cc2	1838
+FC(F)(F)c1ccc(N2CCCCC2)c(NS(=O)(=O)c3ccc(cc3)C)c1	1839
+c1cc(ccc1S(=O)(=O)C)S(=O)(=O)Nc2c(C(c3cnccc3)=O)cc(cc2)Cl	1840
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(c3c(n4CCCc4c3)cc2)C(=O)OC	1841
+c1cc(ccc1-c2nc(N)sc2C)OC	1842
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	1843
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	1844
+FC(F)(F)c1cc(-c2ccc(cc2)C)n(-c3ccc(F)c(Cl)c3)n1	1845
+Clc1ccc2oc(-c3cc(ccc3)C(=O)OCC)cc2c1	1846
+c1cc(ccc1C=2C(C)(C)OC(=C(C#N)C#N)C=2C#N)-n3nnc(-c4ccc(cc4)N(CC)CC)c3	1847
+c1c(C)c(c(cc1OC)C)-c2csc(N)n2	1848
+c1cc(ccc1F)-c2scc(n2)-c3ccc(cc3)C	1849
+c1cc(ccc1)-c2ccc(cc2F)-c3noc(-c4ccc(cc4)CO)n3	1850
+Clc1ccc(c(Cl)c1)-c2c(CN)c(nc(-c3cc(c4ccn(c4c3)C)OC)n2)N	1851
+c1cc(ccc1-c2nc(on2)-c3ccc(cc3)OCc4ccccc4)Oc5ccncc5	1852
+c1cc(ccc1Oc2ncccc2)-c3nc(on3)-c4ccc(cc4)OCc5ccccc5	1852
+c1cc(ccc1)-c2ccc(cc2F)-c3noc(-c4ccc(cc4)CO)n3	1853
+c1ccccc1Oc2ccc3c(nc(o3)-c4ccc(C=O)cc4F)c2	1854
+c1ccccc1Oc2ccc3c(nc(o3)-c4ccc(C=O)cc4F)c2	1855
+c1cc(ccc1-c2cc([nH]n2)C(OCC)=O)OC	1856
+c1cc(ccc1)COc2cc(Oc3ccc(cc3)-c4oc(C)nn4)cc(c2)C(OC)=O	1857
+c1cc(cc(c1)-c2nnc(o2)-c3cc(OC)ccc3)I	1858
+c1cc(ccc1-c2oc(nn2)-c3cccc(OC)c3)I	1858
+c1cc(ccc1C(OC)=O)-c2cc[nH]n2	1859
+c1cc(ccc1-c2noc(COC(=O)C)n2)CN(C3C(NCCCC3)=O)S(=O)(=O)c4ccc(cc4)Cl	1860
+FC(F)(F)c1c(c2c3c(c1)NC(=O)C(N3C(P(OCC)(OCC)=O)CC2)=O)-n4cccc4	1861
+N1(c2cc(C(=O)OC)cc(c2)-n3nnnc3)C(C=C(C=C1)C)=O	1862
+n1nncn1-c2cc(-c3ccccc3OC)cc(C(=O)OC)c2	1863
+CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c3ccc(cc3)C)n1	1864
+c1cc(ccc1-n2c(ccn2)N)OC	1865
+c1(nc2c(c(F)ccc2)[nH]1)Cl	1866
+C1CCCCN1CCOc2c3c(nc(O)cc3)c(cc2)Cl	1867
+O(n1nnc2c1cccc2)c3nc(c(cn3)C(=O)N)NCc4cnn(C)c4	1868
+c12cc3c(OCO3)cc1c(Cl)ncn2	1869
+c12cc3c(OCO3)cc1c(Cl)ncn2	1870
+n1c2c(c(O)nc1)cc3OCOc3c2	1871
+N(C(N)=O)Cc1cccc2c1C(N(C3C(=O)NC(CC3)=O)C2=O)=O	1872
+C1CN(CCN1CCc2cc(ccc2)N3C(=O)c4cc(ccc4C3=O)C)c5c6c(nc(C)cc6)ccc5	1873
+C1CC(c2c(F)c(cc(F)c12)Br)=O	1874
+c1c(c(c2NC(C(=O)Nc2c1)=O)C)C	1875
+C1(C(=O)Nc2cc(CC)c(cc2N1)CC)=O	1876
+CN(C)CC1CC1c2cc3[nH]cc(C#N)c3cc2	1877
+C(CC#N)c1c(scc1)CCCO	1878
+Clc1cccc(c1)-c2noc(C)c2CO	1879
+c1(CO)c(C)onc1-c2ccncn2	1879
+C1CCCN1CCN2C(c3c(C)c(C=C4C(Nc5c4cc(F)c(N)c5)=O)[nH]c3CC2)=O	1880
+c1cc(ccc1)-n2c3c(cccc3)c(C=O)c2N4CCCCCC4	1881
+C1CCCCN1c2ncnc(COC)c2C	1882
+c1cc(ccc1OC)-c2c(-c3ccccc3OC)oc4ncnc(NCCCCCC(=O)OC)c24	1883
+c1ccccc1Cn2c3cccc(C(=O)OC)c3c4c(cccc24)O	1884
+c1ncc2cc(Br)ccn12	1885
+CC(C)(C)OC(NCCCCNc1c2c(cc(cc2)OCc3ccccc3)ncc1[N+]([O-])=O)=O	1886
+c1ccccc1COc2ccc3c(c([N+]([O-])=O)cnc3c2)NCC(C)(C)N	1886
+c12cc[nH]c1cncc2Br	1887
+c1cc(ccc1CCc2c[nH]c(C(=O)OCC)c2)Cl	1888
+CC(C)Oc1ccc(-c2onc(-c3cccc4c3n(cc4CN5CCC(CC5)C(=O)OCC)C)n2)cc1Cl	1889
+CC(C)c1nc(nc(c1)N2CCOCC2)-c3ccc(cc3)Cl	1890
+CC1(C)CC(O)(CCC1)CNc2ncnc3c2CN(CC3)c4ncc(C)cc4	1891
+c1n[nH]c2cnc3cc(OC)c(OC)cc3c12	1892
+c1cc(ccc1C#N)-n2c3cc(C)nc(C)c3nc2C	1893
+c1cc(ccc1Br)S(=O)(=O)N2c3ccccc3Cn4c(C2)ccc4C(=O)NCc5cnccc5	1894
+CCCCCCCCCCCCc1ccc(C(O)=O)s1	1895
+c1cc(ccc1)N2CCN(CC2)S(=O)(=O)c3sc(cc3)-c4cc(c(O)nc4C)CC	1896
+O=S(=O)(N)c1cc(c(CCOC)s1)C	1897
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(S(=O)(=O)NC3CC3)c(C)n2CC4CCCCC4	1898
+FC(F)(F)C(=O)Nc1cc(ccc1F)N(c2nc3c(nc(N)s3)cc2)C	1899
+FC(F)(F)C(=O)Nc1cc(N(c2nc3sc(NC(C4CC4)=O)nc3cc2)C)ccc1F	1900
+FC(F)(F)C(=O)Nc1cc(N(c2nc3sc(NC(C4CC4)=O)nc3cc2)C)ccc1F	1901
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(Nc4c(C#N)c(CC)nc(N)n4)C)=O	1902
+C1CCCCC1N2C=C(C(c3cnc(nc23)NCCCn4ccnc4)=O)C(OCC)=O	1903
+C1CC2(CCN1c3cnn4c(c3Cl)nnc4CC5CC5)C=Cc6ccccc26	1904
+CC(C)(C)OC(N1CC2(CC(C2)n3cc(Br)cn3)C1)=O	1905
+CC(C)(C)OC(N1CC2(CC(C2)n3cc(Br)cn3)C1)=O	1906
+C[Si](C)(C)CCOCn1c2ncnc(-c3cn(C4(CC(C4)C(OC)=O)CC#N)nc3)c2cc1	1907
+c1c2c(cccc2ccc1F)Cn3c4ccc(cc4c(CC(OCC)=O)c3C(OCC)=O)F	1908
+c1(F)cccc(F)c1C(Nc2cn(Cc3c(OCc4ccccc4)cc(cc3)Cl)nc2)=O	1909
+FC(F)(F)c1nc(-n2cnc(I)c2)nc(-c3cc(Cl)c(Cl)cc3)c1	1910
+c12ccccc1NC(C2=Cc3[nH]cc(C)c3C)=O	1911
+FC(F)(F)c1c(C(N2CCN(CC2)c3sc(cn3)C(OC)=O)=O)cccc1	1912
+C1COCCC1Nc2ncc3C=C(c4cc(C(=O)NC5CC5)ccc4C)C(=O)N(C)c3n2	1913
+c1cc(ccc1Nc2nc(c(C#N)cn2)N)C(NCCCn3ccnc3)=O	1914
+c1cc(ccc1-c2c(-c3ccccc3)nc4c(CCCN4CCCCCCC(OCC)=O)n2)C	1915
+c1cc(ccc1-c2nc3N(CCCCCCC(=O)OCC)CCCc3nc2-c4ccc(cc4)C)C	1915
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c4c(ncc3C#N)cc(c(NC(=O)C)c4)OCC	1916
+c1cc(ccc1)NC(n2c3ccc(cc3cc2)Nc4cc(ncc4C#N)N)=O	1917
+C1CN(CCN1c2c3c(ncn2)cc(OC)c(c3)OC)c4ncc(cn4)O	1918
+C1COCCC1Nc2c(cnc(-c3c4cnccn4nc3)n2)[N+]([O-])=O	1919
+C1CN(CCC1Oc2cc(OC)cc3c2c(Nc4n[nH]c(CC(O)=O)c4)ncn3)C	1920
+c1cc(ccc1)Nc2c(Oc3c(cc(c(C)c3)OC)C(C)C)cnc(N)n2	1921
+c1cc(ccc1C#N)Nc2c3CCC(c3ncn2)OC	1921
+c1c(N)cc(cc1)Oc2c3c(cc(OCCOC)c(OC)c3)ncn2	1922
+C(c1c(nc(nc1N)C)Cn2ccnc2-c3cccc(F)n3)CC	1923
+O1CCOC12Cc3sc4ncnc(Nc5cc(c(F)cc5)Cl)c4c3CC2	1924
+O1CCOC12CCc3c4c(sc3C2)ncnc4Cl	1925
+CC(C)(C)OC(N1CCN(CC1)CCCNc2ncc(c(-c3cc4ccc(cc4s3)C(NC)=O)n2)C)=O	1926
+C1CC1Cc2nc(ncc2-c3nc(NC4COCCC4)ncc3)N	1927
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4ccnc(n4)NC5CC5)C	1927
+CC(C)(CCNc1nc(-c2n3ccnc(C)c3nc2-c4ccc(F)cc4F)ccn1)O	1928
+c1cc(ccc1F)C2CCc3c2nc(Nc4ccc(-n5nc(nc5)C)c(OC)c4)nc3NC	1929
+c1cc(ccc1N2C(C)c3c(N(C2=O)c4cccc(C#N)c4)nc(nc3)Nc5cccc(CCOC(C)=O)c5)OC	1929
+c1c(cc(cc1)Nc2ncc(c(n2)NCc3cc(ccc3)OC)Cl)CCCO	1930
+FC(F)(F)C(c1c(-n2ccnc2)cccc1)Oc3nc(N)nc(Cl)c3	1931
+FC(F)(F)COc1nc(nc(CCl)c1)N	1932
+Cc1sc(CNc2c(C)c(nc(n2)OCCCc3[nH]c4c(cccc4)n3)Cl)c(n1)C	1933
+O(n1nnc2c1cccc2)c3nc(Nc4cccc5c4ccn5C)c(cn3)C(=O)N	1934
+FC(F)(F)c1ncc(cc1)-c2cc(nc(n2)-n3cnc(c3)I)C	1935
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	1936
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	1937
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	1938
+c1c(C)c(C(Nc2ncc(-c3cc(-c4cnn(C)c4)ccc3Cl)nc2)=O)cnc1	1939
+c1(C)cccc(C)c1-c2cnc(c(-c3cc(C)cc(c3)C)n2)-c4cc(C)cc(C)c4	1940
+c1(C)cccc(C)c1-c2cnc(c(-c3cc(C)cc(c3)C)n2)-c4cc(C)cc(C)c4	1941
+c1cc(ccc1C#N)-c2sc(Nc3cccc(c3)NS(=O)(=O)C)nc2	1942
+c1(cc(cc(C)c1)-c2nc(cnc2-c3cc(C)cc(c3)C)Cl)C	1943
+C1CN(CCN1c2ncc([N+]([O-])=O)c(Cl)c2)C	1944
+C1CCN(C1)c2c3cc(c(cc3nc(c2)C)OCc4ccccc4)Br	1945
+FC(F)(F)c1ccc2c(nc(SCC)c(c2N(C)C)C(NCc3cc(ccc3)F)=O)c1	1945
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3c(-c4ccccc4OCC3)nc(N)n2	1946
+c1cc(ccc1-c2nc3C(C)(C)OCc3c(N4CC5CCC(C4)O5)n2)Br	1946
+c1nc2c(c(N)c1)c(OC)ccc2OC	1947
+c1cc(ccc1C(=NNc2cc(nc(CC)n2)-c3ccccc3OC)C)N(C)C	1948
+CN(C)CCNS(=O)(=O)c1cc(Nc2cc(nc3c2cccc3)C)ccc1	1949
+c1ccccc1CCNC(C(Nc2ccc(Oc3c4c(ncc3)cc(c(OC)c4)OCc5ccccc5)c(c2)F)=O)=O	1950
+n1c(COC(CCCCC)=O)nc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)cc1	1951
+n1c(COC(CCCCC)=O)nc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)cc1	1952
+n1c(nc(Cl)cc1)COC(CCCCC)=O	1953
+c1cc(ccc1OCCCCCCCC)-c2ncc(cn2)C(OCC)=O	1954
+c1ncn(c1)CC(c2ccc(c(c2)Cl)Cl)CCOC3OCCCC3	1955
+c1ncn(c1)CC(c2ccc(c(c2)Cl)Cl)CCOC3OCCCC3	1956
+c1ccc2cc3c(cc2c1)cc(cc3)Cn4c(CCCC)nc(Cl)c4C=O	1957
+O=S(=O)(NC)Cc1ccc(cc1)Oc2nc(nc(c2)CN)C	1958
+FC(F)(F)C(=O)NCC1CCC(CC1)Nc2c3cc(OC)ccc3nc(n2)C=Cc4ncccc4	1959
+FC(F)Oc1cc(ccc1)Nc2c3cc([N+](=O)[O-])ccc3nc(-c4nccnc4)n2	1960
+C1CC(CCN1C(=O)CN(C)C)Oc2cc3c(ncnc3Nc4ccc(c(Cl)c4)OCc5nccnc5)cc2	1961
+c1cc(ccc1Sc2c(c(ncn2)CC)F)Cl	1962
+FC(F)(F)c1n(nc(C(=O)OCC)c1)Cc2c(ccc(Br)c2)OCc3ccccc3	1963
+C1CC(CCN1C)c2nn3c(NCCNc4ncc(cc4)C#N)nc(-c5ccc(cc5Cl)Cl)cc3n2	1964
+CC(c1nnc2n1nc(cc2)Cl)c3c(cc4ncccc4c3F)F	1965
+c1(-c2cn3nc(ccc3n2)Cl)cc(ccc1)C#N	1966
+c1(c(NC(=O)OC(c2ccccc2F)C)c(-c3cc(C)c(cc3)Br)on1)C	1967
+c1cccc(c1C)-c2n3c(c(C)n2)c(nc4ccc(F)cc34)C	1968
+c1ccccc1-c2ccc3n-4c5c(cc(cc5c3c2)-c6ccccc6)C(C)(C)c7cc(ccc-47)B(O)O	1969
+OB(O)c1cc(c(cc1)S(=O)(=O)C)F	1970
+FC(F)(F)c1ccc(cc1)C#Cc2ccc(cc2)OC3OCCCC3	1971
+c1cc(ccc1)COc2c(cc(cc2C)C#Cc3cc(cc(c3C=O)OC)OC)C	1971
+FC(F)(F)c1cc(NC(=O)c2cc(c(cc2)C)C#Cc3n4ncccc4nc3)ccc1CN5CCN(CC5)CCO	1972
+c1cc(ccc1C#Cc2cc3c(C(=O)CCC3(C)C)c(O)c2)CC(=O)OC	1972
+c1ccccc1COc2nnc(C#Cc3cc(Cl)ccc3)cc2OCc4ccccc4	1972
+C[Si](C)(C)C#Cc1ccc(cc1F)N2CC(Cn3nnc(C)c3)OC2=O	1973
+C(OC(CCCc1ccc(O)c(C#N)c1)=O)C	1974
+c1(c(NC(C)=O)ccc(C#N)c1F)C	1975
+c1c2c(ccc(C)c2)[nH]c1C#N	1976
+c1ccccc1COc2ccc(Cl)cc2Cn3nc(cc3C)C#N	1976
+CC(C)Nc1nc(cc(n1)C#N)C	1977
+CC(C)Nc1nc(cc(n1)C#N)C	1978
+CN(C)c1n(Cc2ccccc2F)nc(c1)C#N	1978
+c1cc(ccc1OC)C(=O)C(Br)C	1979
+C1CC(CCN1Cc2ccccc2)c3ccc(cc3)OC	1980
+c1cc(ccc1)COc2c(cccc2-c3ccccc3)C(c4cc(ccc4)-c5c(cccc5)OC)C	1981
+c1cc(ccc1C(N)=NO)CC2C3C(=O)N(Cc4ccccc4)C(=O)C3C(C)(C)N2C	1982
+CC(C)Nc1nc(C)cc(C(N)=O)n1	1983
+CC1(C)CC(CC(C)(C)N1CC(F)(F)F)(c2ccc(c(c2)C=3CCC(C)(C)CC=3)NC(=O)c4nc(c[nH]4)C#N)O	1984
+CC(C)(C)c1cc(cc(c1N(C)C)Cl)C(O)C#C	1985
+c1cc(ccc1C(c2cc(OC)c(c(c2)OC)OC)O)OC	1986
+c1cc(ccc1F)C(O)c2ccc(cc2Cl)Cl	1986
+c1cc(ccc1)COc2c(C(c3cc(-c4c(OC)cccc4)ccc3)=C)cccc2-c5ccccc5	1987
+c1cc(ccc1)CN2CCC(=CC2)c3ccc(cc3)OC	1988
+CC(C)(C)OC(=O)N1CCC(c2ccc(cc2)Oc3ccccc3)=CC1	1989
+C1CC(CCC1c2c(F)c(F)c(C=3CCC(CC=3)c4ccc(c(F)c4F)OCC)cc2)CCCCC	1990
+CC1(C)CCC(c2cc(C(=O)C)ccc2N)=CC1	1991
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	1992
+c1cc(ccc1CN2C(c3c(cnc(C(=O)N(C)C)c3CC2)OC)=O)OC	1993
+C1CC(CCC1(C)C)c2cc3c(nc(C)nc3s2)C(=O)N4CCC(CC4)(O)C	1994
+c1cc(ccc1-c2cc(-c3n(c(cc3C)C(=O)N(C)OC)C)ccc2OC)S(=O)(=O)N	1995
+c1cc(ccc1)CN(O)C(=O)c2nccc(N(C)Cc3ccccc3)c2	1996
+CC(C)(C)ON=C1c2c(OC(=C1)c3ncn4c(c3)ccc4)ccc(c2)C(=O)NCCN5CCOCC5	1997
+CC(C)(C)OC(=O)COc1ccc(cc1)CNC(c2ncnc(c2)C(=O)NCc3ccc(c(C)c3)F)=O	1998
+c1cc(ccc1C)C2CCCN2c3nc(cc(Nc4sc(C#N)cn4)n3)C(NC(C)CO)=O	1998
+c1(cccnc1OCC(C)F)Nc2c3c(c(sc3ncn2)C(NCCO)=O)C	1999
+c1ccccc1-c2ccc(cc2)C(=O)Nc3ccsc3C(NCCN4CCCCC4)=O	1999
+[nH]1c(C(NC2CN(c3cccc(C(=O)OC)c3)C2=O)=O)c(Cl)c(c1C)Cl	2000
+[nH]1c(C(NC2CN(c3cccc(C(=O)OC)c3)C2=O)=O)c(Cl)c(c1C)Cl	2001
+c1cc(ccc1)-c2nc3n(ccc(c3)NC(c4c(cnn4Cc5ccccc5)C(=O)OCC)=O)n2	2002
+c1cc(ccc1NC(=O)c2c(Cl)c(c(C)[nH]2)Cl)C#C	2003
+c1cc(ccc1CO)NC(=O)c2ccc(Cc3cc(cc4c3oc(C(C)C)c4)Cl)o2	2004
+FC(F)(F)c1cc(ccc1)N2C(=C(C(c3c(cc(cc3)C#N)C(O)=O)N(C)C2=O)C(=O)OCC)C	2005
+CC(C)(C)c1cc2c(cc(C(=O)O)cc2)cc1	2006
+CC(C)(C)OC(=O)N1c2c(cc(C(=O)O)cc2)CC1	2007
+CC(C)(C)ON=C1C=C(c2ncn3c(c2)ccc3)Oc4ccc(C(O)=O)cc14	2008
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)C(c5cc6ccc(C(=O)NC)cc6cc5)=O	2009
+c1cc(ccc1OC)C(=O)c2c(Cl)c(C)ccc2	2010
+c1c(OC)cc(cc1C(c2cc3c(cc[nH]3)cc2)=O)OC	2011
+C(c1cc2c(cc1)n(C)nn2)(=O)c3cc(OCC)c(OC)cc3	2012
+c1cc2c(cc1C(=O)c3c(F)cc(OC)cc3)ccc(OC)c2	2012
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(c(F)c(c(C(=O)c4ccccc4)c3)F)N5CC(C)OC(C5)C	2013
+C[Si](C)(C)CCOCn1c2ccc(C(=O)c3ccccc3C#N)cc2cc1	2014
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)c4cccc(C)c4	2015
+Fc1cc(cc(F)c1C2CO2)S(=O)(=O)N(c3c(cc(C)cc3)C)CC(C)C	2016
+c1cc(ccc1C(C)N2CCC(c3ccccc3)(CCc4nnc(C)o4)OC2=O)C5=CC(=O)N(C)C=C5	2017
+c1cc(ccc1C(C)N2CCC(c3ccccc3)(CCc4nnc(C)o4)OC2=O)C5=CC(=O)N(C)C=C5	2018
+C1CCC(C1)C(C(OC)=O)c2cc(CC(=C)C)c(O)cc2	2019
+c1(cc(ccc1[N+]([O-])=O)CC(OCC)=O)OC	2020
+CC(C)Cc1c(O)cc(cc1)O	2021
+C[Si](C)(C)CCOC(=O)C(c1c(CCC(=O)c2cccc(C=Cc3nc4c(ccc(Cl)c4)cc3)c2)cccc1)CC	2022
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(OCC)=O)n1	2023
+C1CN2CCC1C(C2)C(c3ccccc3)(O)CCc4ccc(cc4)C(OC)=O	2024
+CC(C)(C)CCc1cccc(N)c1C#N	2024
+c1cc(cc(C)c1OC)CCCCO	2024
+CN(C)CCCc1ccc(c(c1Cl)C)Br	2025
+c1c(OC(C)=O)cc(cc1)CCCCO	2025
+CC(C)(C)N1c2ccc(CCCO)cc2C(=O)C(C(NCc3ccc(cc3)Cl)=O)=C1	2026
+CC(C)(C)OC(=O)c1ccc(cc1)CCCCO	2026
+c1(OC)c(OC)c(cc2nc(ccc12)CCl)OC	2027
+o1c(c(c2c1ccc(Br)c2OC)C)CCl	2028
+C(CCCC)CCOc1ccnc(c1C)CCl	2029
+C1COCCN1Cc2c(F)cc(Br)c(c2)F	2030
+CC(C)(C)[Si](C)(C)Oc1cccc(CN2CCCC2)c1F	2031
+C1CCCCN1Cc2[nH]c3cc(Oc4sc5ccccc5n4)ccc3c2	2032
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5cc(CN)ccc5-c4n3)c1F)F	2033
+C(OC)(c1ccccc1-c2ccc(CN)nc2)=O	2034
+ClC(Cl)=C1C2CCC1c3c2cccc3CNC4CC4	2035
+CC(C)(C)C1CCC(CC1)Oc2ccc3c(c2)ccc(CNC45CCC(CC4)(C(OCC)=O)C(C5)O)c3	2036
+c1(C)cc(cc(C)c1NC(OCC)=O)CNc2cccc(c2)F	2037
+O(COC)c1ccc2ccc(nc2c1C#N)CO	2038
+c1c2c(c([N+](=O)[O-])c(OCOC)c1)nc(CO)cc2	2038
+c1c2nc(cc(Cl)c2ccc1OC)CO	2038
+CC(C)(C)c1ccc(cc1)Cn2c(cc3c2ccc(OC)c3)COC(C)=O	2039
+c1(c(cc(OC)c(COCCCCl)c1)F)F	2040
+c1cccc2nn(nc12)-c3cc(C)cc(c3O)COCCC(C)C	2040
+C(Cc1c(CO)cccc1)CCCCCCC	2041
+c1(OC)c(OC)c(cc2nc(CO)ccc12)OC	2042
+C(CCCC)CCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2	2043
+C(CCCC)CCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2	2044
+c1(cc(cc(OC)c1OC)Cc2ccc(cc2)OC)OC	2045
+c1cc(ccc1Cc2c(c3c(OC(C3)C)c(Br)c2)Cl)OCC	2046
+c1cc(ccc1CC)Cc2ccccc2OC	2047
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C=Cc2cc(C)c(c(C)c2)-c3c(cncc3C)C	2048
+c1cnccc1-c2cccc3c2C(C(=O)N3)=Cc4c(C)c(CCC(O)=O)c(C)[nH]4	2049
+c1c2NC(CCc2cc(c1)C=CCCCl)=O	2050
+c1cc(ccc1S(=O)(=O)N2CCOCC2)C=Cc3ccc(c(OCOC)c3)OCOC	2051
+Clc1ccc(C=NO)c(F)c1C(=O)OC	2052
+c1(C)cc(nc(Cl)n1)C=NO	2053
+c1cc(ccc1Cc2c3c4c(cnc(c4COC)C=NO)[nH]c3ccc2)Cl	2053
+c1(C=O)cc2c(occ2CCNC(C)=O)cc1	2054
+c12ccc(C=O)cc1c3ccccc3n2C	2055
+FC(F)(F)c1cc(cc(C=O)n1)CC	2056
+c1(C)cc(nc(Cl)n1)C=O	2057
+c1c(Oc2nc3c(s2)cccc3)ccc4cc(C=O)[nH]c14	2057
+c1cc(ccc1Cc2c3c([nH]c4cnc(c(COC)c34)C=O)ccc2)Cl	2058
+Clc1cc(Br)c2c(cccn2)c1	2059
+C1(C(Nc2c(c(Cl)c(cc2N1)Cl)C#N)=O)=O	2060
+C1CN(CCC1c2ccc(C(C)=O)cc2Cl)C(=O)C	2060
+C(C(c1ccc(c(Cl)c1)OC)=O)CC(=O)O	2061
+C1CN(CCC1c2ccc(C(C)=O)cc2Cl)C(=O)C	2062
+c1(cc(I)c(C=O)cc1Br)F	2063
+c1c(cc(c(c1)CC)I)Br	2063
+c1cc(ccc1)-c2c(cc(I)cc2)OC	2063
+c1(cc(I)c(C=O)cc1Br)F	2064
+FC(F)(F)c1c(F)c(Cl)cc(I)c1	2065
+C1COCCN1C2CCN(CC2F)c3cccc(-c4n(C)c5ccccc5n4)c3	2066
+c1cc(ccc1[N+]([O-])=O)N2CC3CCC(COc4ccc(cc4)F)CN3CC2	2067
+FC(F)(F)c1cc(C(NCC(=O)NC2CN(CC2)C3CCN(C3)c4ccc(cc4)C(OC)=O)=O)ccc1	2068
+CC(C)(C)OC(=O)C1C(N(CC)c2c(CC1)cc(c(c2)OC)N3CCNCC3)=O	2069
+c1(cc(cc(F)c1Br)S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C)F	2070
+Cc1c(Cl)cc(N)c(N)n1	2071
+CCCCCCCCCCCCc1ccc(O)c(c1)N	2072
+Nc1c2c(ccc1)cnc(c2)COC	2072
+OB(O)c1cc(N)cc(c1)C(O)=O	2072
+c1(cc(C#N)c(C)cc1N)O	2072
+c1ccccc1COc2c(cc(C(=O)C)c(c2)N)OC	2072
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)N	2073
+C1(C)Cc2c3c(c(N)c(c2F)F)C(C(=CN13)C(=O)O)=O	2074
+C1C2(CC1)S(=O)(=O)CC(NC2=N)(c3cc(ccc3F)N)C	2074
+CC(C)C(=O)Nc1c(N)cc(C(OCC)=O)cc1	2074
+c1(ccc(N)cc1-c2nc(O)c3c(n2)c(CCC)ccn3)OCC	2074
+c1c(c(cc(F)c1Br)O)N	2074
+CC(C)N1c2cc(ccc2C(C)(C)C1=O)N	2075
+C1CCC(C1)c2c(OC(=O)OC)cc(c(CCC(=O)OCC)c2)N	2076
+C1CN(CCC12Oc3c(cc(N)cc3)C(=O)C2)C	2076
+FC(F)(F)C(NC1C2c3ccccc3Oc4c(cc(c(N)c4)Cl)N2CCC1)=O	2076
+c1cc2c(CCC(NC(CC)=O)C2)c(N)c1OC	2076
+C1CN(C(=O)CC)CC1c2c(ccc(N)c2)OC	2077
+CCOc1c(F)cc(c(N)c1Br)Cl	2078
+FC(F)(F)c1ccc(C)c(c1)N	2078
+Nc1cc-2c(OCc3n-2cc(C(=O)OC)n3)cc1	2078
+CC1(C)C(N(c2c(N1)cc(N)cc2)C)=O	2079
+c1(NC(=O)C)c(Cl)cc(F)c(OCC)c1Br	2080
+c1c(NC(C)=O)ccc2OCc3n(cc(C(=O)OC)n3)-c12	2081
+c1cc(ccc1C#N)NCCN(S(=O)(=O)c2ccccn2)CC3CCCCC3	2082
+C1CN(CCC12Oc3c(C(=O)C2)cc(NS(=O)(=O)C)cc3)C	2083
+FC(F)(F)C(NC1C2N(CCC1)c3c(cc(NS(=O)(=O)c4ccccc4)c(Cl)c3)Oc5ccccc25)=O	2084
+c1cnccc1C=Cc2cc(ccc2)Nc3cc(ccc3)S(=O)(=O)N	2085
+c1c(I)cc(c(Nc2c(C(=O)OC)ccc3cncn23)c1)F	2086
+FC(F)(F)c1cc(ccc1)Nc2nccc3c([N+]([O-])=O)c(C)ccc23	2087
+c1(cc(C(=O)OC)c(cc1Br)O)F	2088
+S(C)c1ccc(O)cc1Cl	2089
+c1cc(ccc1O)C23CC2CN(C3)C(C)=O	2090
+c1cc(ccc1O)C23CC2CN(C3)C(C)=O	2091
+CC1(C2CN(C(=O)C12)CCCCCC)c3cc(ccc3)O	2092
+O=S(=O)(C)c1cc(C(O)=O)cc(O)c1	2092
+COc1c(C)ccc(c1)O	2093
+CC1(C)CC(=O)c2cc(O)ccc12	2094
+O=S(=O)(C)c1cc(C(O)=O)cc(O)c1	2095
+CC1(C)CC(=O)c2cc(O)ccc12	2096
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(CC(C)C)c3ccc(cc3)C(OC)=O)C	2097
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCOc3ccc(cc3)C	2098
+O=C(OCC)C(C(=O)OCC)CCCOc1cc(ccc1)C#CCCCCCC	2099
+c1cc(ccc1C)S(=O)(=O)NCCc2c(OCCN3CCCCC3)cccc2	2099
+C1CC1CCOc2ccc(cc2)OC3C(=O)NCC3	2100
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CC(OCCCCCC)C(=O)OC	2100
+CC(C)(C)OC(NCc1ccc(cc1)-c2cccc(OCCCCOCc3ccccc3)c2)=O	2101
+c1cc(ccc1OCc2nc3cccnc3cc2)C(=O)Cc4ccncc4	2101
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(C)c(CC(=O)OC)cc3)C)c(C(C)C)n2	2102
+c1cc(ccc1OCCc2ccc(cc2)COC)CC(CC)C(OC)=O	2103
+C1CC(CCCC1)COc2cc(ccc2)C=O	2104
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3c(cc(OC(C)(C)C(OC)=O)c(Cl)c3)Cl)c2	2105
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(C)c(CC(=O)OC)cc3)C)c(C(C)C)n2	2106
+c1cc(ccc1F)OCc2cc(ncc2)Cl	2107
+CC(C)(C)OC(=O)NC1CN(CC1)C(CN(c2ccc(cc2)Oc3ccccc3)C(=O)C=Cc4ccccc4)=O	2108
+c1c(cc2nsnc2c1)Oc3c(cccn3)C(OCC)=O	2109
+C1CC1NS(=O)(=O)c2c(OC)ccc(Oc3c(cc(cc3Cl)CC4C(=O)NC(=O)S4)Cl)c2	2110
+C1CC(CCC1)NS(=O)(=O)c2cc(C(O)=O)c3c(c2)OCCO3	2111
+CN(C)Cc1cc(-c2cc3c(cc2F)n(nc3)C4OCCCC4)cnc1	2112
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cc(cnc3)NC(=O)C(C)(C)C	2112
+O=S(=O)(c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1)N	2112
+c1(CO)c(c(cnc1)-c2cc3CCC(N(c3cc2F)C)=O)C	2112
+c12c(N(C(=O)O1)C)cc(cc2)-c3cnccc3C(C)O	2112
+c1(CO)c(c(cnc1)-c2cc3CCC(N(c3cc2F)C)=O)C	2113
+c1cc(ccc1CC(OCC)=O)-c2c(C)cc(cc2)-c3onc(C)c3NC(OC(c4c(F)cccc4)C)=O	2114
+O=S(=O)(c1ccc(-c2cc(ccc2F)Br)c(OC)c1)CC	2115
+C(=C(C(=O)O)OC)c1cc(c(cc1)-c2cc(ccc2)N(C(=O)NCCCCCCC)C)OCCCC	2116
+CN(C)S(=O)(=O)c1c(cc(cc1)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C)C(O)=O	2117
+c1ccccc1COC(N2CCCC2c3ccc(cc3)-c4cc(NC(C5CC5)=O)ccc4)=O	2117
+Clc1cc(c(cc1)-c2cc(c(cc2)CC)[N+]([O-])=O)F	2118
+C(C)N(CC)C(=O)c1c(c2c(c(-c3ccc(cc3)OC)c1)cccc2)OC	2119
+CC(C)(C)c1cc2C(=O)C(Cc2c(-c3ccccc3)c1OCC(C)C)C	2119
+CC(C)(C)c1cc2ccc3ccc(-c4ccc(cc4)Cl)c5ccc(c1)c2c35	2119
+CC1(C)c2cc(-c3cc(Cl)ccc3)ccc2NC1=O	2119
+c1ccccc1-c2ccc(C)c(C#N)c2	2119
+c1cc(ccc1)-c2cc3c(NC(C3)=O)cc2	2120
+c1cc(ccc1F)C=CC(F)(F)C(O)c2c(C)noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC	2121
+c1ccccc1C(C)CNCc2c(noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)C	2121
+c1ccccc1C2C(C2)C(Nc3c(-c4ccc(cc4)-c5ccc(cc5)C6(CC6)C(=O)OCC)onc3C)C	2121
+c1cc(ccc1-c2cc3OCOc3cc2-c4ccc(cc4)F)S(=O)(=O)N	2122
+c1(c(cc(OC)c(c1)C(=O)O)-c2ccccc2OCC)Cl	2123
+C1CCCCN1c2cc(c(cc2)[N+](=O)[O-])-c3nccc(c3)C=O	2124
+CC(C)(CC1(CCN(C(O1)=O)C(C)c2ccc(cc2)-c3nnc(C)cc3)c4ccccc4)C#N	2125
+C1CC1c2c(cncc2F)-c3cc4CCc5nnc(C)n5-c4c(F)c3	2126
+CCOC(c1c(n(C2COCC2)nc1)-c3ccc(cc3[N+]([O-])=O)-c4c(cc(OCC)nc4C)C)=O	2126
+CC(C)(C)C(NC(=O)c1ccc([n+](c1)[O-])-c2c(c(F)cc(C(NC3CC3)=O)c2)C)C	2127
+FC(F)(F)c1c(c(c(COc2cnc(cc2)-c3ccc(cc3C)CC(=O)OC)cc1)C(OC(C)(C)C)=O)O	2128
+c1cc(ccc1C(CC)(CC)c2cc(C)c(C=CC(CC)(CC)O)cc2)-c3ncc(cc3)CC(OCC)=O	2129
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cncc(c3)NC(Cc4ccccc4)=O	2130
+CC(C)(C(O)=O)c1cncc(-c2ccc3c(CCC(=O)N3C)c2)c1	2131
+CC(C)(CC1(CC(N(C(C)c2ccc(cc2)-c3ccc(O)nc3)CC1)=O)c4ccccc4)O	2131
+FC(F)(F)Oc1cnc(cc1)-c2ccc(C(O)(C(C)(C)C)c3cncnc3)c(C)c2	2132
+O=S(=O)(C)NCc1cc(F)cc(c1)-c2c([N+]([O-])=O)c(ccn2)N	2133
+c1cc(ccc1-c2nc(N)sc2C)OC	2134
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	2135
+c1cc(ccc1)-c2noc3c2c(nc(C(=O)OCC)c3O)-c4cn(Cc5ccccc5)nn4	2136
+c1cc(ccc1C(C)(C)O)-c2cnc3NC(=O)CN(CCC4CCOCC4)c3n2	2137
+CC(C)(C)OC(=O)NC1(CC1)c2ccc(cc2)-c3c(-c4ccccc4)nc5-c6ccccc6Nc7ncccc7-n35	2138
+CC(C)(C)OC(NC(C)c1cc(no1)-c2[nH]c3c(ccc(c3)C(F)(F)F)n2)=O	2139
+CC1(C)OCC(CO1)c2cc(cnc2)-c3nc4cccc(-c5ccccc5)c4c(NCc6ncccc6)n3	2140
+c1cc(cc(c1)-c2c(C)nc3c(c(Cl)ccc3)n2)F	2141
+C1CN(CCC1=O)c2cccc(-c3ccnc(Cl)n3)c2	2142
+c1(C=O)cc(c(C)cc1)-c2ccnc(Cl)n2	2142
+c1c(c(C=O)c(c(c1)-c2ccnc(Cl)n2)C)OC	2142
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)-c4c(F)cncn4)=O	2143
+CC(C)(C)OC(=O)N1CC=C(c2sc(nn2)-c3ccc(-n4cccn4)cc3OC)CC1	2144
+FC(F)(F)c1cc(ccc1OCCCOC2CCCCO2)B(OC(C)C)O	2145
+COB(O)c1cc(c(F)cc1)OC	2146
+OB(O)c1ccc(CCOC(Nc2cccc(C#N)c2)=O)c(CC)c1	2147
+C(=O)(OC)C(C)c1c(F)cc(Br)c(c1)F	2148
+c1(cc(cc(Cl)c1C)Br)Cl	2148
+c1ccccc1C2c3ccc(OC)cc3CCN2	2149
+c1ccccc1C2c3ccc(OC)cc3CCN2	2150
+c1cc(ccc1)C=2c3ccc(cc3CCN=2)OC	2151
+c1c(c(O)c(Cl)cc1)CC=C	2152
+FCC1(CF)Oc2c(cc(I)cc2)C(=C1)C(OCC)=O	2153
+O=S(=O)(c1cc(cc(C(O)=O)c1)N)C	2154
+c1(F)c(Br)cc(C=O)c(N)c1	2154
+c1cc(C(C)C(O)=O)cc(N)c1N	2155
+c1cc(ccc1N)C23CN(CC2C3)C(C)=O	2155
+C1CC(CCN1C(=O)C)c2c(cc(C(=O)C)cc2)N	2156
+CC1(C)CC(c2cc(N)ccc12)=O	2157
+c1(cc(F)ccc1Oc2c3c(nc(cc3)Cl)ccc2OC)F	2158
+C1CNCCN1c2ccc3c(c(ccc3)Br)n2	2159
+CC(C)(C)OC(=O)NC1CCCN(c2ccc(Nc3c(cnc4ccc(nc34)-c5cc(c(c(F)c5)O)Cl)C(C)=O)cn2)C1	2160
+c1(cc2cc(OC)ccc2nc1Cl)[N+]([O-])=O	2161
+c1(cc2cccc(C)c2nc1Cl)[N+]([O-])=O	2161
+c1c2c(ccc(c2Oc3c(cc(F)cc3)F)OC)nc(O)c1	2162
+CC1(C)CC(=O)Nc2cc(ccc12)C(C(=O)OCC)CCCCC	2163
+C1(=O)c2c(NC1=O)c(c(Cl)cc2)C	2164
+c1(O)nnc(c2ccc(OC)cc12)-c3cc(F)ccc3	2165
+Clc1cccc(c1)-c2oc3C=CN(c4cc5c[nH]nc5cc4)C(c3c2)=O	2166
+CC(C)(C)OC(n1c2c(c(OC)ccc2)c(N)n1)=O	2167
+CC(C)(C)OC(=O)N1CCC(CC1)n2c(nc3c2ccc(C)c3)-c4ccccc4	2168
+CC(C)Cn1c2c(nc1COc3cccc(OCC)c3)ccc(O)c2	2169
+CC1(C)c2c(cc3[nH]c(SCc4ccccn4)nc3c2)C(C)(C)CC1	2170
+C1CC(CCN1C)Oc2cc(cc3ncnc(Cl)c23)OC	2171
+C1CN(CCC1Oc2cc(OC)cc3c2c(Nc4n[nH]c(CC(O)=O)c4)ncn3)C	2172
+c1(oc2c(c1)cc(C)cc2)C(=O)OCC	2173
+CC(C)(C)OC(=O)N1C(Cc2oc3ccccc3n2)CCCC1	2174
+FC(F)(F)c1cc2nc(oc2cc1)-c3c(I)cncc3	2175
+c1cc(ccc1)Cn2c(cc3nc(Cl)ccc23)-c4ncco4	2176
+Fc1cccc(F)c1-c2nc3c(s2)c(OC)cc(c3)OC	2177
+Fc1cccc(F)c1-c2nc3c(s2)c(OC)cc(c3)OC	2178
+c1c(OC)c2ccsc2c(F)c1	2179
+c1(cc(F)ccc1Oc2c3c(nc(cc3)Cl)ccc2OC)F	2180
+c1cc(ccc1OC)C(=O)c2cc3c(nc(nc3cc2)Cl)-c4cc(ccc4)Cl	2181
+c1cc(ccc1OC)C(=O)c2cc3c(nc(nc3cc2)Cl)-c4cc(ccc4)Cl	2182
+C1CCCC(n2c(OC)nc3c(nc(OC(CC)C)nc23)N)O1	2183
+CC1(C)CC(N(c2cc3[nH]c(nc3cc12)-c4[nH]nc5ccccc45)CC)=O	2184
+c1cc(ccc1OC)C(c2cc3c(nc(nc3cc2)O)-c4cccc(Cl)c4)=O	2185
+c1(c(c2[nH]ccc2cc1Br)C(=O)O)F	2186
+c1(cc2n[nH]cc2cc1Br)F	2187
+FC(F)(F)c1ccc(cc1C)C#N	2188
+c1cc(ccc1)-c2c(oc(n2)C)-c3ccc4n(c3)c(nn4)C(C)C	2189
+N#Cc1ncc(C)cc1[N+](=O)[O-]	2190
+FC(F)(c1ccc(C)cn1)CO	2191
+n1cc(c2cc(OC)c(cc2c1F)F)OC	2192
+c1cc(-c2c(C)ccc3c2ccnc3NCc4cc(OC)c(cc4)OC)cc5c1nc(NC)nc5	2193
+Cc1nc(c(cc1C(=O)OCC)C#N)NC2CCC(C(=O)O)C2	2194
+c1(cccc(F)c1)COc2nc3c(C(NCC3)=O)cc2	2195
+c1c(Cl)nc2c(C(NCC2)=O)c1	2196
+Nc1cc(OCC#C)c(OC)cc1C(=O)OC	2197
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C)cccc2F	2198
+CC(C)(C)OC(N1CC=C(CC1)c2c(C)cccc2F)=O	2199
+c1c(C)c(c(cc1OCC2CN(C)c3ccccc3O2)C)C(=O)Cl	2200
+CC(C)c1cccc(C(C)C)c1C(Cl)=O	2201
+C(NC(C)=O)Cc1cc2c(OCO2)cc1CC#N	2202
+CC(C)c1c(cc2OCOc2c1)CC#N	2202
+c1cc(ccc1)[Si](c2ccccc2)(Oc3cc(OC)c(c(c3)OC)CO)C(C)(C)C	2203
+Nc1c(O)c(Cl)cc(F)c1N2N=NN(CCCF)C2=O	2204
+O=S(=O)(O)c1cc(c(cc1OC)OC)N	2204
+c1cc(ccc1S(=O)(=O)N)-c2cc(-c3c(C)c(c(s3)C(OC)=O)C)ccc2OC	2205
+FC(F)(CNC(c1ncccc1C)=O)c2c(cc(Cl)cc2)Cl	2206
+CC(C)(C)OC(=O)NC1=NC(c2c(c(F)cc(c2)NC(=O)c3ncc(C#N)cc3C)F)(COC1)C(F)F	2207
+FC(F)(F)c1c2c(c(C3CCN(CC3)C(=O)C)cs2)ccc1	2208
+C1Cc2c(CC1)c(NC(=O)C)cc(F)c2C	2209
+Fc1c(F)c2c(c(NC(=O)C)c1)CCCC2	2209
+C[Si](C)(C)CCOCn1cc(nc1-c2ccc(cc2Cl)-c3c(cc(nc3)OCC4(CCC4)C(OCC)=O)C)C(F)(F)F	2210
+Clc1ccc(c(Cl)c1)-c2cnc(cc2C#N)N	2211
+CC1(C)Cc2c(O1)cc(cc2-c3cnc(N)c(c3C)C#N)Cl	2212
+FC(F)(F)c1c2c(n(c(n2)Oc3c(C)cc(Cl)cc3Cl)C)c(C(CC)CC)cc1	2213
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3sc(NC(=O)C4CC4)nc3cc2)c(Cl)cc1F)=O	2214
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3sc(NC(=O)C4CC4)nc3cc2)c(Cl)cc1F)=O	2215
+C1CN(CCN1C)c2c3nc(-c4[nH]nc5c4ccc(Br)c5)[nH]c3ccc2	2216
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3c(nc(N)s3)cc2)c(Cl)cc1F)=O	2217
+c1c(C(=O)OC)sc2c(F)ccc(OC)c12	2218
+C1CN(CCO1)c2ccc(c3nc(N)sc23)OC	2219
+c12C(CCc1c(cc(Br)c2F)F)O	2220
+c1cc(ccc1Oc2c3c(ccc2)c(c(nc3C#N)C(=O)OC)O)OC	2221
+C1CNCCN1c2c(cccn2)OC	2222
+c12CCCCc1nc(c(c2)[N+]([O-])=O)N	2223
+S(c1cc(Oc2c(nccc2)CC)c(N)nc1)c3ccccn3	2224
+O(c1c(OCC)cccn1)C	2225
+c1ccccc1-c2nnc(Cc3ccc(cc3)Oc4ncccc4-c5ccnc(n5)NC)c6ccccc26	2226
+c1cc(ccc1-c2c(O)nccc2)C(OC)=O	2227
+c1cc(ccc1-c2c(O)nccc2)C(OC)=O	2228
+CC(C)(C)OC(=O)N1CCc2c(cc(cc2)-c3c(cccn3)OCc4cc(C)ccn4)CC1	2229
+c1ccccc1COc2c3n(ccc2)cnc3	2230
+c1(-n2cc(nc2)CO)c(cc(cc1)Nc3nc(nc(Cl)n3)OC)OC	2231
+CC(C)c1ccc(nn1)N	2232
+C1C(CN1c2nc(C)nc(-n3nc(nc3C)C)c2)c4nc5ccccc5[nH]4	2233
+C1COCCN1c2cc3c([nH]c(n3)C(F)F)c(C(=O)OC)c2	2234
+C(c1cnn(c1)CCF)#Cc2cc(-c3cccnc3F)ccc2	2235
+FC(F)(F)c1nn(cc1C(N(C2CCN(CC2)c3nnc(c(C)c3C)-c4ccc(cc4)F)C)=O)Cc5ccc(cc5)OC	2236
+c1([N+]([O-])=O)ccc2c(cn(c2c1)C)C(=O)O	2237
+[nH]1c2c(c(C(=O)c3cc([N+]([O-])=O)ccc3)c1)cc(cn2)-c4cnccc4	2238
+CC(C)n1cc(-c2nc(N)ncc2)c(I)n1	2239
+Clc1cc(cc(Cl)c1)-c2ccn[nH]2	2240
+c1cnccc1-c2cc[nH]n2	2240
+C1CN(CCO1)C(c2c(n(C)nc2)C(=O)Nc3cc4n(nc(N5CCCC5)n4)cc3)=O	2241
+C1COCCN1c2nn3cc(NC(c4c(cnn4C)C(N5CC(C5)F)=O)=O)ccc3n2	2241
+C1C(CN1c2ncnc3c2c(I)nn3C)F	2242
+n1(ncc2c(c(cnc12)C(=O)OCC)O)CC	2243
+FC(F)c1cc(c(cc1-c2ccnn2C(C)C)C(OC)=O)N	2244
+c1cc(nc(Cl)c1OCOC)C#N	2245
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	2246
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	2247
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	2248
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(C(=O)N)n(C)c2CC3CCCCC3	2249
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(N)=O)n(C)n4	2250
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(N)=O)n(C)n4	2251
+c1cc(ccc1Cn2nc(cc2-c3cc(C)c(Cl)cc3)C(Cl)=O)C	2252
+CC1CCCC(C)N1C(=O)c2csc(n2)Br	2253
+C1COCCN1CCNC(=O)c2cc(c([nH]2)C=O)C	2254
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(n(C)n4)C(Cl)=O	2255
+c1(CCC(OCC)=O)[nH]cc(c1)CCCC	2256
+ClCc1nc2c(cc3c(c2)CC4(c5cccnc5NC4=O)C3)cc1	2257
+ClCc1nc2c(cc3c(c2)CC4(c5cccnc5NC4=O)C3)cc1	2258
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc3c(n2)nc(-c4cccc(c4)[N+]([O-])=O)o3)=O	2259
+CC(C)(C)OC(=O)Nc1nc(CN2CCCC2)ccc1	2260
+CC(C)(C)OC(=O)N(C)CCCCN(Cc1c(C)cc(cn1)C)Cc2nccc3c2cccc3	2261
+O=C1c2ccccc2C(=O)N1CCCCN(C3c4c(CCC3)cccn4)Cc5nc6ccccc6n5C	2262
+CC(C)(C)OC(=O)N(C)CCCCNCc1c(C)cc(C)cn1	2263
+c1(N2CCOCC2C)nc(Cl)nc(CO)c1	2264
+c1c(ccc(C=Cc2occ(COc3cccc(c3)CCCn4nncc4)n2)c1F)F	2265
+c12cc3c(cc1nc(cc2)CO)CC4(c5cccnc5NC4=O)C3	2266
+c1ccccc1-c2cc3c(C(C(=O)N3)=Cc4[nH]c(c(C(=O)NCCCN(CC)CC)c4C)C)cc2	2267
+CC(C)(C)OC(=O)N1CC2(C1)OCc3c2cnc(C=NO)c3	2268
+CC(C)(C)OC(=O)N(CC(=O)OC(C)(C)C)c1nc(ccc1)C=NO	2269
+c1cc(ccc1-c2cc([nH]n2)C=O)OC	2270
+CC(C)(C)OC(N(c1cccc(n1)C=O)CC(OC(C)(C)C)=O)=O	2271
+c1cc(ccc1)C(c2ccccc2)C(=O)Nc3cnc(nc3O)C=O	2272
+O=Cc1csc(-c2c(cc(C)cc2)[N+]([O-])=O)n1	2273
+c1cc(ccc1C(C(=O)Nc2sc3nc(OC)ccc3n2)CC4CCCC4)S(=O)(=O)CC(C)=O	2274
+C1CC(CCN1C(Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)=O)(O)C	2275
+CC(C)(C)c1cc(n(-c2ccc(cc2)CC(OCC)=O)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	2276
+c1([nH]c2c(cccc2)n1)-c3n[nH]c4c3cc(I)cc4	2277
+C1CC1NC(c2cnn3ccc(nc23)N4C(c5cc(cc(OCCOC)c5)F)CCC4)=O	2278
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(C(NCC(CO)O)=O)cnn14	2278
+C1COCCN1c2c3c4ccncc4[nH]c3ncn2	2279
+c1ccccc1Nc2c3ccc(Cl)nc3ncn2	2280
+FC(F)(F)c1c(sc(CNC(=O)OC(C)(C)C)n1)C#N	2281
+CC(C)(C)OC(=O)N1CCCC(c2cc(c(N)nc2)-c3n(-c4c(c(F)ccc4)F)nnn3)=CC1	2282
+C1CC(CCN1c2nc(Cl)c(CO)nc2Cl)=NOC3CCN(CC3)C(=O)OC(C)C	2283
+c1c(C(OC)=O)ncc(N)c1N	2284
+CC(C)(C)OC(=O)NC(C(Nc1cnc(nc1)Oc2cccc(C(C)C)c2)=O)C	2285
+c1cc(ccc1-c2cc(c(N)nc2)OCc3c(Cl)cccc3Cl)OCCN4CCOCC4	2286
+C1CCCCC1NC(C2(CC2)c3ccc(-c4ccc(C(NCC)=O)nc4)cc3F)=O	2287
+c1cc(ccc1)-c2nc(nnc2-c3cc4ccoc4cc3)N	2288
+CN(C)C(Cc1cc(cnc1)-c2cnc3N(C(=O)N)CCCc3c2)=O	2289
+C1CC(CCC1=O)n2ncc(c2)-c3cnc4[nH]cc(C(C)c5c(Cl)ccc(F)c5Cl)c4c3	2290
+C1CN(CCC1c2ccc(cc2)F)C(=O)c3cnc(cc3Nc4cc(C)ccc4Cl)O	2291
+c1cc(ccc1-c2n(cc(C(=O)N3CC4C(C3)C4)c2C)C)Cl	2292
+c1cc(ccc1)-c2c(COc3ccc(cn3)C(NC(CO)C)=O)c(on2)C	2293
+c1cc(ccc1-c2c(ncc(C(=O)NC3CCCCC3O)c2)Cl)Cl	2293
+C1CCCN1CCCNC(=O)c2c(c3c(C4c5ccccc5NC4=O)ncnn3c2)C	2294
+C1CN(CCN1C)c2ncc(cc2)C(=O)NCc3ccccc3	2294
+CC(C)(C)OC(=O)NCC(c1ncc(C(=O)NCc2ccccc2)cc1)O	2294
+Brc1ccc(cn1)C(=O)Nc2ncc(C(Nc3ncc(cc3)Br)=O)cc2	2295
+FC(F)(F)c1c(cccc1)-c2n(C)cc(C(Nc3ccc(cc3)S(=O)(=O)C)=O)c2C	2296
+FC(F)(F)c1cc(ccc1-c2c(C)c(c[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)C)F	2296
+COc1cnc2ccc(F)c(c2n1)CC#N	2297
+c1cc2ccc(nc2c(c1F)CC#N)OC	2297
+O(C)c1c(CCl)cnc(C)c1Cl	2298
+C(O)c1ccc(Br)c2oc(nc12)C	2299
+C(c1c2nc(oc2c(cc1)Br)C)=NO	2300
+O=Cc1c2nc(oc2c(cc1)Br)C	2301
+O=Cc1c2nc(oc2c(cc1)Br)C	2302
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CNc3cncc(c3)C)=O	2303
+O=S(=O)(Nc1c2c(cc(c1)N3CCOCC3)n(c(C)n2)Cc4c5c(ccc4)cccc5)C	2304
+O=S(=O)(Nc1cn(c(C#N)c1)C)C	2304
+C(C)OC(c1nc2n(cc(-c3[nH]nnc3)cc2)c1)=O	2305
+c1cc(ccc1Cc2oc(nn2)-c3c(c4C(=O)N(C)CCn4c3)OC)F	2306
+c1(c(nc2cc(OC)c(OC)cc2c1)Cl)C#N	2307
+c1c2c(ccc1OC)nc(Cl)c(C#N)c2	2308
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)OCC)n2	2309
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)OCC)n2	2310
+FC(F)(F)c1nn(c(c1)CO)-c2ccc(cc2)[N+]([O-])=O	2311
+Clc1cccc(CNc2cc(n(C)n2)C=O)c1	2312
+CC1(C)CC(CC(C)(C)N1C)Oc2ccc(C(Nc3ccc(cc3)NC(Nc4n(nc(c4)C(C)(C)C)C)=O)=O)nc2	2313
+CC(C)(C)OC(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	2314
+C1CC(CCC1n2cc(nc2)C=O)C	2315
+c1cc(ccc1-c2c(c3cc(Br)c(cc3o2)NS(=O)(=O)C)C(OCC)=O)F	2316
+c1cc(ccc1-c2c(C(OCC)=O)c3cc(Br)c(N)cc3o2)F	2317
+C1CC(CCN1C(=O)c2nc(-c3cc(Br)c(c(c3O)Br)O)cs2)Cc4ccccc4	2318
+CC(C)N1CCN(CC1)C(=O)c2nc(c(s2)-c3c4c(ccc3)cccc4)C	2318
+FC(F)(F)c1cc(ccc1)CC(CN2C(=O)c3ccccc3C2=O)NC(=O)c4sc(c(c4)-c5ccnn5C)Cl	2319
+c1cc(ccc1Oc2ccnc3c2sc(c3)C(=O)NCCCC(=O)OCC)NC(Nc4cc(ccc4F)C)=O	2319
+C(Nc1c2c(Br)csc2ccn1)c3ncccc3	2320
+O1CCOC12Cc3sc4ncnc(Nc5cc(c(F)cc5)Cl)c4c3CC2	2321
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/assignments.jsonl b/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/assignments.jsonl
new file mode 100644
index 0000000000000000000000000000000000000000..27fa02495b20c84a27c96703e04f399eb0015b16
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/assignments.jsonl
@@ -0,0 +1,2988 @@
+{"forced_train_missing_patent": false, "group_id": "1bc8f952e5577914528170765d1fa4840c4df0960389f2d12ccd894ddfa4ae0d", "molecule_inchi": "InChI=1S/C17H19BrO/c18-13-16-10-8-15(9-11-16)7-4-12-19-14-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-14H2", "partition": "train", "patents": [], "patents_complete": false, "product_smiles": "c1cc(ccc1CCCOCc2ccccc2)CBr", "routes": ["[\"n1\",\"4922\"]"], "row_index": 0, "rule_id": 0}
+{"forced_train_missing_patent": false, "group_id": "548ec5c767346cf82481a1f08810a29018b0ed1ae6ad3485b5fbbd61e2dc0486", "molecule_inchi": "InChI=1S/C14H28OSi/c1-7-10-13-14(11-8-2,12-9-3)15-16(4,5)6/h2H,7,9-13H2,1,3-6H3", "partition": "train", "patents": [], "patents_complete": false, "product_smiles": "C[Si](C)(C)OC(CC#C)(CCC)CCCC", "routes": ["[\"n1\",\"7293\"]"], "row_index": 1, "rule_id": 1}
+{"forced_train_missing_patent": false, "group_id": "981d652f20bb86e03a399ff093fd76a647ad56c9fa9a18f472f0692b8c8283fa", "molecule_inchi": "InChI=1S/C16H17N3O/c1-4-7-13-8-6-9-14(18-13)16-17-12(3)11-15(19-16)20-10-5-2/h2,6,8-9,11H,4,7,10H2,1,3H3", "partition": "train", "patents": [], "patents_complete": false, "product_smiles": "c1(nc(-c2nc(CCC)ccc2)nc(c1)C)OCC#C", "routes": ["[\"n1\",\"8870\"]"], "row_index": 2, "rule_id": 2}
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diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/preparation.json b/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/preparation.json
new file mode 100644
index 0000000000000000000000000000000000000000..630dbb3431f1e597622207606a57bc6a794ba3e9
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/preparation.json
@@ -0,0 +1,46 @@
+{
+  "implementation": {
+    "identity.py": "373e417ec6647a82879f9377845a5fd555cfba89eeaa89fbab1dc096139f5b2a",
+    "splitting.py": "8b6fd9b1ef8ccd00effec63257f9f2155a7355d47a9f79dc8b0b0b430b5e219d"
+  },
+  "inputs": [
+    {
+      "path": "/Users/almazgil/Developer/projects/retrocomposite/data/releases/n1-n5-composites-inchi-v1/cohorts/patent_disjoint/preparation.json",
+      "sha256": "6589ffa262406a294ba750709c32f980fadb9f816d17bb09902ec4e792d1c410"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/retrocomposite/data/releases/n1-n5-composites-inchi-v1/cohorts/preparation.json",
+      "sha256": "6eb8305855b81a4eb8ba6b144ae7390e259a8b3823516874dc32c8ff2fafd88d"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/retrocomposite/data/releases/n1-n5-composites-inchi-v1/cohorts/patent_disjoint/support.json",
+      "sha256": "18420aa8c23122fc5ea7be3fe2c0dac851509780f6275fb6e98fc737971aaa96"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/retrocomposite/data/releases/n1-n5-composites-inchi-v1/cohorts/patent_disjoint/composite.tsv",
+      "sha256": "ad1f67943fcf550b8b5f1353d605ef541da9e01585aabaa7821642d3eeb59558"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/retrocomposite/data/releases/n1-n5-composites-inchi-v1/cohorts/patent_disjoint/composite_policy_data.tsv",
+      "sha256": "86e9d768f0a980395de0557f69757660d6c4128186f75aaa155b8ca4d3da6fc4"
+    }
+  ],
+  "kind": "grouped-split",
+  "outputs": {
+    "assets/composite.manifest.json": "aeb2d3f5c801bbbbe34ad4ca39592e03f0b2362da279d993f194dc792f71544e",
+    "assets/composite.tsv": "ad1f67943fcf550b8b5f1353d605ef541da9e01585aabaa7821642d3eeb59558",
+    "assets/composite_policy_data.tsv": "86e9d768f0a980395de0557f69757660d6c4128186f75aaa155b8ca4d3da6fc4",
+    "assignments.jsonl": "65eb80d97dddf39e75f5c8d2350cc9def5d4a27aa279ae377ee2b80409b67077",
+    "split.json": "ef28074efd8433b115fad3622af13f1c46139fee5cc605ed35f9c8ab1be0c2e9",
+    "train.tsv": "de70d1726a91e0a79354eb9bace06014c4f6c4d4553108267fd7414abcbe890d",
+    "validation.tsv": "ea1a8a36c2a347adac0517b7431f856aeea22f10d9bf30753154f50a29900f6b"
+  },
+  "schema": "retrocomposite-preparation/1",
+  "software": {
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+    "chython-synplan": "1.108",
+    "retrocomposite": "0.1.0",
+    "route-inspector": "3.0.0.dev0"
+  },
+  "stereo": "ignored"
+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/split.json b/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/split.json
new file mode 100644
index 0000000000000000000000000000000000000000..efc51021e74640222493e9566773ca3e343ae418
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/split.json
@@ -0,0 +1,4688 @@
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+  "blocked_reason": null,
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+    "identifier": "full Standard InChI",
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+    "libinchi_sha256": "956d0d4c97ebca1cdf04157585897b638a153c21d5d3df6272126d4a3800846b",
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+    "tautomer_policy": "Standard InChI mobile-H normalization"
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+  "overlap": {
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+  "policy_data": "assets/composite_policy_data.tsv",
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+  ],
+  "schema": "retrocomposite-grouped-split/2",
+  "seed": 42,
+  "source_assets": "/Users/almazgil/Developer/projects/retrocomposite/data/releases/n1-n5-composites-inchi-v1/cohorts/patent_disjoint",
+  "source_manifest_sha256": "6589ffa262406a294ba750709c32f980fadb9f816d17bb09902ec4e792d1c410",
+  "status": "ready",
+  "train_rows": 2689,
+  "validation_rows": 299
+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/train.tsv b/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/train.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..f77d63fc19cb68abda22e35fa8870ec97dd12472
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/train.tsv
@@ -0,0 +1,2690 @@
+product_smiles	rule_id
+c1cc(ccc1CCCOCc2ccccc2)CBr	0
+C[Si](C)(C)OC(CC#C)(CCC)CCCC	1
+c1(nc(-c2nc(CCC)ccc2)nc(c1)C)OCC#C	2
+C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O	3
+c1cc(ccc1C(C)(C)C#C)F	4
+C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O	5
+c1cc(ccc1C#Cc2cc(CCCC#N)c(F)cc2)OC(F)F	6
+c1cc(ccc1C#Cc2cccc(N)n2)C(OCC)=O	7
+c1cc(ccc1C#Cc2c([N+]([O-])=O)cccn2)CCC(=O)OC	8
+C[Si](C)(C)C#Cc1ccc(cc1)N(CCCC)CCCC	9
+C[Si](C)(C)C#Cc1cc(OC(C)c2c(ccc(F)c2Cl)Cl)c(nc1)N	10
+C1CC1C(c2ccc(cc2)Cl)=C(C=O)F	11
+FC(F)(F)C(F)(F)CCNC(C(C)(F)C(NC1C(N(c2c(-c3c1cccc3)cccc2)CC4CC4)=O)=O)=O	12
+c1ncncc1Cn2nc(-c3nc(c(nn3)C(C)(C)C(=O)OC)O)c4cc(cnc24)F	13
+O=C(OCC)C(C(=O)OCC)C(=O)c1cc(F)c(cc1Br)F	14
+CC(C)(C)OC(N1CC2(C1)CC(C2)OS(=O)(=O)C)=O	15
+C1N(CC1C(Nc2ccccc2N)=O)c3cc(nc(C)n3)-n4nc(nc4C)C	16
+O=S(=O)(c1ccc2c(CCCC2Cl)c1)c3ccccc3	17
+CC(C)(C)OC(N1CC(CC1)NC(=O)COCCBr)=O	18
+c1cc(ccc1C#N)CCCBr	19
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=O)(=NCCBr)C	19
+N1(C(=O)C)c2cc(C)cc(C)c2C(C1)CCBr	20
+O=C1Nc2c(cccc2)C(C1)CCCl	21
+O=C1Nc2c(cccc2)C(C1)CCCl	22
+CC(C)(C)OC(=O)N1CC(c2ccccc2)CC1COC	23
+CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2	24
+CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2	25
+CC(C)(CO)c1ccc(cc1)F	25
+O=C1Nc2c(cccc2)C(CCO)C1	25
+C1CC(CCC1)=CCCCCCO	26
+c1(CCO)ccc([N+]([O-])=O)cc1Cl	26
+C(O)CC1n2c(cc(I)c2)C(NC1)=O	27
+c1cc(ccc1)C(c2ccccc2)CO	28
+O=S(=O)(OCCC1n2cc(I)cc2C(=O)NC1)C	29
+CC(C)(C)OC(N1CC(c2ccccc2)CC1COS(=O)(=O)C)=O	30
+C1CC(CCC1COS(=O)(=O)C)C(OCCCC)=O	31
+c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C	32
+c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C	33
+O=S(=O)(C)OCC(c1ccc(Cl)c(c1)Cl)CCOC2OCCCC2	34
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(CCOS(=O)(=O)C)nc4	35
+O=S(=O)(C)OCCCc1ccc(cc1)Br	36
+C(=O)Cc1ccc([N+]([O-])=O)cc1Cl	37
+c1cc(ccc1F)C(C)(C)C=O	38
+C(=O)Cc1ccc([N+]([O-])=O)cc1Cl	39
+CC(C)(C)OC(=O)NCC(C=O)C	40
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C=O	41
+c1cc(ccc1F)C(C)(C)C=O	42
+c1ccccc1[Si](c2ccccc2)(N3C(=O)CC3C=O)C(C)(C)C	43
+c1cc(ccc1C2C(C2)CCO)Br	44
+c1cc(ccc1C2C(C2)CCO)Br	45
+c1cc(ccc1CCC(OCC)=O)C#N	46
+c1cc(ccc1C#N)CCCO	47
+c1cc(ccc1N2C(=O)C(COS(=O)(=O)C)CC2)Cl	48
+c1cc(ccc1Cl)Oc2cc(CCC)c(C(=O)COc3ccc(cc3)OC)cc2	49
+c1(C=CCO)c(cccc1)Br	50
+CC(C)(C)c1nnc(NC(N(C(C)C=O)C)=O)s1	51
+C1CN(CCC1N2C(C(CC2)Oc3cc(F)c(S(=O)(=O)C)cc3F)=O)C#N	52
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)OCc4cc5c(OCO5)cc4)=O)=O	53
+N(C(C)=O)C1C(=O)NC(C(NC(CC(C)CCCCCCC1)C(O)CC(C)C(NCCCC)=O)=O)C	54
+C1CC(CCN1OC)(C(OC)=O)NC(=O)Cc2c(C)cc(F)c(c2)Br	55
+C(C)C(CC)(C(NC)=O)NC(=O)c1ccc(OC)c(-c2cc(ccc2)Cl)n1	56
+CC(C)(C)C(NC(c1ccc(cc1)-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)=O)C(=O)OC(C)(C)C	57
+CC(C)(C)OC(NC1CCC2CN(CC12)Cc3ccccc3)=O	58
+CC(C)(C)OC(NCC(c1cc2cc[nH]c2cc1)c3ccccc3)=O	59
+C1CC(CCN1CC(O)COc2nccnc2Cl)N3CCN(c4ccccc4)C3=O	60
+c1ccccc1Oc2cnc(cc2)CO	61
+C1C(C(c2ccc(cc2Cl)F)O)C1C#N	62
+C1C(C(c2ccc(cc2Cl)F)O)C1C#N	63
+N#CC1CC1C(c2ccc(cc2Cl)F)=O	64
+c1cc(ccc1)C(Cc2cc(ccc2)C)=O	65
+c1cc(ccc1)C(=O)c2c(N)ccc(c2)F	66
+c1cc(ccc1CO)CCCOCc2ccccc2	67
+O=S(=O)(c1ccc(cc1)Br)n2c3ccccc3cc2C=O	68
+[nH]1c(C=O)cc2c1cccc2	68
+C1(N2C(CCC2)c3n(-c4ccccc14)cnc3C=O)=O	69
+COc1c(cc(cc1)C(=O)c2ccc(c(c2)OCC)OC)[N+](=O)[O-]	70
+CC(C)(C)C(=O)Oc1cccc(CBr)c1	71
+c1c(Cl)c(c(cc1OCc2ccccc2)Cl)CBr	72
+[N+](c1cc(CBr)cc(Br)c1)([O-])=O	73
+C(c1cc2c(cc1)cc(F)cc2)Br	74
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CBr	75
+CC(C)N1C(c2cc(ccc2C(=N1)Br)CBr)=O	76
+c1(OC)cc(CBr)cc(Br)c1	77
+C1CC1c2cccc(c2CCl)F	78
+COc1cc2c(ccnc2cc1)CCl	79
+FC1(F)Oc2c(ccc(CCl)c2)O1	80
+FC(F)(F)c1cc(ccc1CC2CCCCC2)CCl	81
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3nc(cs3)C=4CC(ON=4)c5c(CCl)cccc5	82
+c12c(cc(CO)c(c1)OC)cc(cc2)Br	83
+c1c(ccc([N+]([O-])=O)c1CO)C(=O)OC	84
+c1c(cc(C)c2Cc3c(cccc3C)-c12)C	85
+Clc1ccc(c(C=O)c1)Sc2cccs2	86
+c1c(C=O)cc2cc(c(OC)c(c2c1)OC)OC	86
+c12c(cc(c(c1)OC)C=O)cc(cc2)Br	87
+O=Cc1ccc([N+]([O-])=O)cc1F	88
+c1(C=O)cc2nn[nH]c2cc1	89
+c1cc(ccc1C=O)-c2cnco2	89
+c1ccccc1CCCCC#Cc2ccc(C=O)cc2F	90
+O=Cc1cc(ccc1[N+]([O-])=O)C(=O)OC	91
+c12c(cc(c(c1)OC)C=O)cc(cc2)Br	92
+O=Cc1cc(ccc1[N+]([O-])=O)C(=O)OC	93
+FC(F)(F)c1ccc(cc1)-c2n(C)c(c(n2)C=O)C	94
+c1cc(ccc1F)-c2c(CCl)c(nc(C(C)C)c2C(OCC)=O)C(C)C	95
+c1(CCl)cccnc1N2CC(CC2)F	96
+c1ccccc1C(O)c2cc(C(=O)C=CN(C)C)ccc2F	97
+C(OCCCl)CC(Cl)=O	98
+FC(F)(c1ccccc1)CNc2c(F)c(c(cc2)Cl)CC(=O)O	99
+c1(N2C(CC(C(OC)=O)C2)=O)ccc(c(C)c1)O	100
+c1c(c(cc(c1)NC(CC(OC)=O)=O)F)OCc2cccc(F)c2	101
+c1ccccc1COC(=O)NC2C(CC(=O)CC2)NC(OCc3ccccc3)=O	102
+CC(C)(C)OC(=O)COCc1cc(ccn1)C(F)(F)F	103
+c1cc(ccc1)OC(=O)Nc2cc3CCCc3nc2	104
+C1CCCC1n2c(cc3c2nc(Cl)nc3)C(O)=O	105
+O=S(=O)(c1ccccc1)Nc2c(scc2)C(=O)Cl	106
+c1cc(c(c(C(Cl)=O)c1OC)F)OC	107
+c1ccccc1CCN2C3CC(CC2CC3)=C(c4ccccc4)c5ccc(cc5)C(Cl)=O	108
+c1ccccc1COc2cc(OCc3ccccc3)c(C(Cl)=O)cc2Br	109
+FC(F)Oc1c(F)c(C(=O)Cl)cc(c1F)F	110
+c1cc(ccc1C2CCCCC2)C(N3c4c(cccc4)Cn5c(C(=O)O)ccc5C3)=O	111
+[nH]1cc(c2ccc([N+]([O-])=O)cc12)C(=O)O	112
+c1cc(ccc1)COc2c(C(C)C)cc(-c3onc(c3)C(=O)OCC)c(OCc4ccccc4)c2	113
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)N(OC)C	114
+C1CN(CCN1CC(=O)c2cc(OC)c(cc2)OC)C=3C(=O)C=CC=CC=3	115
+c1ccccc1COC(c2cc(ccc2N)C#N)=O	116
+c1cc(ccc1C=CC(OCCCCCCCl)=O)OC(c2ccc(cc2)OCCOC)=O	117
+c1cc(ccc1F)Sc2c(C=O)c(ccc2)F	118
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)N=C=S)Cl	119
+C1CN(CCC12OC2)c3ncnc(Cl)c3	120
+C1COC(O1)(C2OCC(N(Cc3ccccc3)C2)=O)C	121
+C1CN(CCC12C(=C(c3c(C)cc(F)c(c3)Br)C(=O)N2)O)OC	122
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCO	123
+CC(C)(C)OC(=O)N1CC(CC(C#N)C1)N(CC(C)C)C(c2nc3ccccc3n2CCCCOC)=O	124
+CC(C)(C)C(=O)N(C1CC(C#N)N(C(OC(C)(C)C)=O)C1)C2CCC(CC2)C	125
+CC(C)(C)OC(=O)C1C2(CCC(CC2)(CN)C1)C#N	125
+CC(C)(C)OC(=O)N1CC(CC(C#N)C1)N(CC(C)C)C(c2nc3ccccc3n2CCCCOC)=O	125
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)C#N	125
+c1cc(ccc1C2N(C(CC)CC)C(=O)C(CC#N)(CC2c3cccc(Cl)c3)C)Cl	126
+c1cc(ccc1CC(NC(=O)CCCCCCc2ccccc2)CCC#N)OCc3ccccc3	126
+c1cc(ccc1CC(NC(=O)CCCCCCc2ccccc2)CCC#N)OCc3ccccc3	127
+CCC=CCCC(CCC=CCC)C#N	128
+CC(C)(C)OC(C1(CCOCC1)CN2CCC(CC2)C#N)=O	129
+CN(C)C(N1CC2C(CC(C2)C#N)C1)=O	130
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)C#N	131
+c1cc(ccc1C(C(C)(C)N2CCOCC2)=O)N3CCCCC3	132
+c1cc(ccc1C(C(C)(C)N2CCOCC2)=O)N3CCCCC3	133
+CC(C)(C)OC(=O)N1C(CC2(CC2)C1)CO	134
+CC(C)(C)OC(N1CC(C(c2ccc(c(c2)Cl)Cl)C1)C(OC)=O)=O	134
+CC(C)(C)OC(N1CCC2C(c3c(scc3)C2)C1)=O	134
+CC(C)(C)OC(N1CC(F)(F)C(O)CC1)=O	135
+CC(C)(C)OC(=O)N1CCc2sccc2CC1	136
+CC(C)(C)OC(=O)N1CCC2(N(Cc3ccccc3)CCC2)C1	137
+CC(C)(C)OC(=O)N(CCc1ccc([N+](=O)[O-])cc1Cl)Cc2ccc(cc2)F	138
+CC(C)(C)OC(N1CC(c2ccc(cc2)N)SCC1)=O	139
+CC(C)(C)OC(=O)N1C(C)(C)CN(C2(CCCC2)C1)Cc3ccccc3	140
+CC(C)(C)OC(=O)N1CC(C)(C)c2cnc(Cl)cc12	141
+CC(C)(C)OC(=O)N(C1CC1)Cc2cc(Br)ccc2Cl	142
+CC(C)(C)OC(=O)N(C1CC1)Cc2cc(Br)ccc2Cl	143
+CC(C)(C)OC(=O)N(c1ccc(cc1)S(=O)(=O)C)C2CCNC2	144
+CC(C)(C)OC(=O)NCCC1CN(CC1)Cc2ccccc2	145
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CNC(OC(C)(C)C)=O	145
+CC(C)(C)OC(NCCC1(CCN(CC1)Cc2ccccc2)O)=O	146
+CC(C)(C)OC(NC(CC(=O)OCC)Cc1c(F)ccc(F)c1)=O	147
+CC(C)(C)OC(=O)Nc1ccc(nc1)CC(OCC)=O	148
+CC(C)(C)OC(Nc1c(OCc2ccccc2)cccc1F)=O	149
+CN(C)C(CN)(C)CCCC	150
+CN(C)C(C)(CCCC)CNC(=O)c1ccc(c(Cl)c1)Cl	151
+c1ccccc1CCC(C)CC(=O)OCC	152
+CC(C)(C)OC(=O)N(Cc1c([N+](=O)[O-])cccc1)C(C)C	153
+c1ccccc1OCCC(N(C)C)C	154
+c1cc(ccc1C(C)=O)CC(NCC(O)c2ccccc2)C	155
+CC(C)Nc1c(Nc2ccccc2)nccc1	156
+C(C)C(CC)Nc1c(nccc1)N2CCN(CC2)C(OCc3ccccc3)=O	157
+C=1(C(=O)NC(=O)C=1c2cc(NC(CCO)C)ccc2)c3c4ccccc4n(C)c3	158
+[N-]=[N+]=NC(C)CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C	159
+C(CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C)(C)N	160
+C(CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C)(C)N	161
+FC(F)(F)c1cc(Cl)c(nc1)-c2ccc(Cl)c(OC(C)C)c2	162
+CC(C)(C)[Si](C)(C)OCC1Cc2ccc3c(c2O1)CCC3	163
+CC(C)(C)OC(NC(CCC(SC(C)=O)CNC(=O)OCc1ccc(cc1)[N+](=O)[O-])C(OC)=O)=O	164
+c1cc(ccc1C(C)=O)CC(C)=O	165
+C[Si](C)(C)OC(CC#C)(C(F)F)CCCC	166
+CC(C)(C)OC(N1CC(F)(F)C(CCO)CC1)=O	167
+C1CC(CCN1OC)CCO	168
+CC1(C)CCOc2cc(C(CCCCC)CO)ccc12	169
+FC(F)(F)c1ccc(Cl)cc1CC2C(=O)c3cc(c(N4CCOCC4)cc3C2)OC	170
+C1CN(CCC1C=O)OC	171
+C1CC(CCN1C(OCC)=O)N2CCC3(CC2)CC=C(C(N(C)C)=O)c4c3cccc4	172
+FC(F)(F)c1cc(ccc1)N2CCN(CCC2)C3CCC(CC3)c4c5ccc(cc5[nH]c4)F	172
+FC(F)(F)c1cc(ccc1)N2CCN(CCC2)C3CCC(CC3)c4c5ccc(cc5[nH]c4)F	173
+C1CC(CCN1c2ccc([N+](=O)[O-])c(OC)c2)N3CC(CCC3)O	174
+C1CCCCCN1C(=O)CC2CCCc3n(ncc23)-c4ccccc4	175
+C1CCCN1C(=O)Cc2ccc([N+](=O)[O-])c(c2)OC	175
+CC(C)(C(N1CCCC1)=O)Sc2cc3sc(N)nc3cc2	175
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(=O)N2CCOCC2)n1	175
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N	176
+CC(C)(C)OC(=O)N1CC(N)CC1C(OC(C)(C)C)=O	176
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N	177
+CC(C)(C)OC(=O)N1CC(N)CC1C(OC(C)(C)C)=O	177
+C1(CCCN(C(=O)OCC)CC1)N	178
+C1CC(CC(C1)N)c2ccc(OCOC)cc2OCOC	179
+Clc1ccc(N2CCC(C2)C(C)N)c([N+]([O-])=O)c1	180
+c1cc(ccc1)CN2CC(C(CC2)C(C)N)c3ccc(cc3)Cl	181
+C1CN(CCC1N)Cc2ccc(cc2)C	182
+NC(CCC=C)c1ccccc1OC	183
+c1(c(C(CCC2CCN(CCSc3c(ccc(F)c3)F)CC2CC(=O)OC)N)c4cc(ccc4nc1)OC)F	184
+c1cc(ccc1NS(=O)(=O)C)C(N)C	185
+C1C(CC(N)=O)CC(C)CC1	186
+FC(F)(F)C1(c2ccccc2-c3c(cc(cc13)OCC(C)O)-c4cn(C(C)(C)C(N)=O)nc4)O	186
+C12CC(CC(CCC1)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O)C(N)=O	187
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cn2)Nc3nc(c(cn3)C)CCc4ccccc4CC(=O)N	187
+CC(C)(C)OC(=O)Nc1cc(CCC(=O)N)ccn1	187
+CC(C)(C)OC(N1CC(C(=O)N)CC(N(C(c2n(c3c(cccc3)n2)CCCCOC)=O)CC(C)C)C1)=O	187
+CC(C)(CCC)C(N)=O	188
+c1cc(ccc1CC(CCC(N)=O)NC(=O)CCCCCCc2ccccc2)OCc3ccccc3	189
+c1cc(ccc1Cn2c3ccc(OC)cc3c(CC(C)CC(N)=O)c2C)Br	190
+c1cc(ccc1)COc2cc(ccc2Cc3ccc(cc3)CC)CC(=O)N	191
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=S)N	192
+CC(C)(C)OC(=O)Nc1nccc(CCC(=S)N)c1	193
+c1cc(ccc1Cn2c(c(CC(C)CC(=S)N)c3c2ccc(OC)c3)C)Br	194
+CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O	195
+C1CC(CCC1C(NCc2c(O)nc(nn2)N)=O)C(=O)OC	196
+C1CN2CCC1C(NC(Cc3cc4ccccc4n3C)=O)C2	197
+C1CC(CCC1C(NCC)=O)CC(=O)OCC	198
+c1cc(ccc1C#N)C(NNC(=O)C(Nc2cc(c(C#N)cc2)Cl)C(C)O)=O	199
+c1cc(ccc1C#N)C(=O)NNC(=O)C(C(O)C)Nc2ccc(c3ccccc23)C#N	200
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3	201
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3	202
+CC1(C)c2c(C(C1)NS(=O)(=O)C)cccc2	203
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(cc(C#N)cc2)Oc3c(Br)cccc3	204
+C1CCC(C1)Oc2cc(CC(=O)Nc3c(O)c([N+](=O)[O-])ccc3)ccc2OC	205
+CC(Nc1c(Cl)nn(-c2cccnc2)c1)=O	206
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1Cc2c(C)[nH]c3c2cccc3	207
+CC(C)(C)OC(N1CC(CC1C(=O)Nc2ccc(cc2)N3C(=O)COCC3)N=[N+]=[N-])=O	207
+C1COCCC1C(N=[N+]=[N-])C	208
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1C(=O)OC	208
+CC(C)(C)OC(C1N(C(=O)OC(C)(C)C)CC(C1)N=[N+]=[N-])=O	208
+c1cc(ccc1Cl)C2(O)CN(Cc3cc(ccc3)OC)CC2	209
+FC(F)(F)C(CC1(C)c2cc(SC)ccc2OCC1)O	210
+C1CC(CCC1CCCCC)c2cc(c(cc2)C3CCC(CC3)C4CCC(CC4)O)F	211
+FC(F)(F)CC(C(NS(=O)(=O)c1sc(cc1)Cl)C(O)C)C	212
+CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O	213
+CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O	214
+CC1(C)C(n2cncc2C(O)C)c3c(C(=O)O1)cccc3	215
+C1(c2cc(OC)c(cc2)OC)CC(CCC1[N+](=O)[O-])OC(=O)C	216
+CC(C)(C)OC(=O)NC1CCC(OS(=O)(=O)C)C1	217
+O=S(=O)(OC(C1C(C)(C)C1C(OCC)=O)C(Cl)Cl)c2ccc(cc2)C	218
+CC(C)N1CC(Oc2ccc(Cl)cc2Br)CC1	219
+FC(F)(F)c1cc(C2CCN(CC2)C(=O)OC(C)(C)C)c(cc1)Sc3ccc(cc3)Cl	220
+O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3	220
+c1ccccc1C(C2CC(N(C2)C(c3ccccc3)C)=O)O	221
+c1cc(c2c(c1)C(=O)C(C)C2)-c3ccccn3	222
+C1CC(CCC1CCCCC)c2cccc(F)c2F	223
+C1CC(CCC1c2c(F)cc(cc2)Br)CCC	223
+O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3	223
+c1(C(CCCC)N)cc(c(OC)cc1)OC	224
+c1cc(ccc1)-c2c(c3c([nH]2)cccc3)C4CCNCC4	225
+Brc1ncc(c(C(=O)C)c1)F	226
+FC(F)(F)c1cc(N2C(C)=C(C(c3ccc(cc3[N+]([O-])=O)C#N)NC2=O)C#N)ccc1	227
+Clc1cc(c(C2CC(=O)NC(=C2C(Nc3cc(Cl)c4n[nH]cc4c3)=O)C)cc1)F	228
+C1CN(CCO1)CC=C(C[N+](=O)[O-])C	229
+CC(C)CC(=CCCC(CC)=CCOc1cc2c(OCO2)cc1)C	230
+c1ccccc1C(C)=NNC(c2c(c(ccc2)[N+]([O-])=O)O)=O	231
+C(C(=NO)c1c(F)cnc2ccc(OC)cc12)CC3CCN(CCSc4c(ccc(F)c4)F)CC3CC(=O)OC	232
+FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C	233
+FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C	234
+CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br	235
+CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br	236
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOC(C(C(=O)C)=Cc4cc([N+](=O)[O-])ccc4)=O	237
+C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4	238
+C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4	239
+CC(C)(CF)C(COc1ccc(Cl)cc1Cl)=O	240
+c1cc(ccc1OCC(C(CF)(CF)C)=O)Cl	240
+C(CN1C(=O)CCCC1C=CC(=O)CCCCC)#CCCCC(OC)=O	241
+C1COCCC1CC(c2cc(n(C)n2)SC)C(C=C)=O	242
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O	243
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O	244
+CC(C)(C)c1c(O)c(c(c(C)c1)CC(=O)Cl)C	245
+c1cc(ccc1COC(CC(=O)Cl)CCCCCCCCCCC)OC	246
+c1cc(ccc1C=2C(N(C3(CCCCC3)N=2)CC(=O)Cl)=O)C	247
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(n2)CCC(Cl)=O)Cl)OC	248
+c1cc(Cl)c(c(Cl)c1OC(C)C(Cl)=O)C	249
+c1cc(ccc1CCC)OC(C)C(Cl)=O	249
+FC(F)(F)c1cc(C(C(c2cc(F)ncc2)N(C(=O)C)C3CCCC3)O)ccc1	250
+c1cc(ccc1-c2ccccc2)C(N(C(=O)CN3C(=O)Oc4c3cc(c(C)c4)OC)C)CN5CCOCC5	251
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(O)cc4c(C(=O)C)c3	252
+CC(C)(C)OC(C1N(C(=O)C2N(C(C(NC(CSCCCCCCC)C(=O)OCC)C)=O)CCC2)CCC1)=O	253
+OC1C(O)CN(C1)C(=O)CNC(=O)c2[nH]c3ccc(Cl)cc3c2	254
+C1CC(CCN1C(C)=O)CC(NC(=O)C2CCCCC2NC(c3n(C)c4ccccc4c3)=O)C#N	255
+O=S(=O)(c1nc2CCN(C(C)=O)Cc2c(n1)-c3c(Cl)cc(Cl)cc3)C	255
+c1cc(ccc1OCCC2CCCCN2C(C)=O)-c3[nH]c4cc(ccc4n3)C(N)=O	255
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(N2CCN(CC2)C(OC(C)(C)C)=O)=O	256
+CC(C)(C)C(C(=O)N1C2C(c3c4ccc(cc4[nH]c3)F)CN(C2CC1)C5CCCC5)NC(OC(C)(C)C)=O	257
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C	257
+CC(C)(C)OC(=O)NCC1CCCCN1C(CCCCCCCCCCCC)=O	258
+C1N(CC1Nc2cncc(N3C(c4c(cc(cc4)Cl)C3(C)C)=O)c2)C(C)=O	259
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(n3)C#Cc4c5c(ccc4)cccc5)n1)C	260
+c1cc(ccc1-c2nn(C3CCCN(C(CC#N)=O)C3)c4c2c(ncn4)N)Oc5c(cccc5)F	260
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CN(CCC4)C(CC#N)=O)Oc5c(ccc(F)c5)F	260
+CC(C)(C)NC(=O)C1(CCN(CC1)C(C2C(CC(=C)C2)c3ccc(F)cc3F)=O)C4CCCCC4	261
+CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C)C2CCC(CC2)N(C)C(=O)C)=O	262
+Clc1cc(cc(Cl)c1C(C(N2CCCC2)=O)c3ccc(cc3)Cl)N4N=CC(NC4=O)=O	263
+c1cc(ccc1OC(C(N(C(C)C)Cc2nc(-c3cccnc3)no2)=O)C)CCC	263
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C	264
+C1CN(CCN1C(C(NC(N(CCC2CCCCC2)CCSC(=O)C)=O)C)=O)C	265
+C1CN(CCN1C(C2CCN(CC2)c3c(cncc3F)NC(c4c5n(cc(F)cn5)nc4N)=O)=O)C6COC6	265
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(=O)N6CC(C6)C(=O)OC)CCC3)n2	266
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)N(OC)C	267
+CC(C)(C)OC(=O)N1CCC(CC1)CN(c2cccc(Cl)c2)C(CC)=O	268
+c1cc(ccc1CC(C)NC(=O)C)Br	269
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O	270
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O	271
+C1C(CC(NCC(N)=O)=O)CC(C)CC1	272
+CC(C)(C)OC(NC(C1CCCCC1)C(=O)NC(C(=O)N)Cc2cnccc2)=O	273
+CN(C)C(=O)C(Cc1ccc(cc1)-c2ccccc2)NC(=O)C3(CCCC3)CC(=C)Cl	274
+O=S(=O)(C)CCC(Cc1cccc(C#N)c1)(C(=O)NCC(NCc2sc(C#N)cc2)=O)NC(=O)OC	274
+c1cccc2-c3ccccc3C(c12)COC(=O)NCC(=O)NC(Cc4ccccc4)C(NCC(=O)O)=O	275
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C(=O)NC(CCCNC(=O)N)C(=O)O	276
+CC(C)CC(C(=O)NC(C(OC)=O)CCC(NCCCN=[N+]=[N-])=O)NC(C(NC(=O)OCc1ccccc1)CC#C)=O	277
+c1cc(ccc1CN2CCN(CC2)c3ncccn3)CNC(CC)=O	278
+CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O	279
+C1CC(CCN1C2CC3(C2)CN(C(=O)OCC)CC3)C(=O)NC4(CCC4)C	280
+C1CN(CCC1OC(=O)NC2(CCCCC2)C(=O)NC(C(C(NC3CCCCNC3=O)=O)O)C(C)C)C(OC)=O	281
+c1cccc2[nH]cc(CNC(C3N(C(=O)C(C)N4Cc5ccccc5C4=O)CC(O)C3)=O)c12	282
+C1CN(CCC1OC(=O)NC2(CCCCC2)C(=O)NC(C(C(NC3CCCCNC3=O)=O)O)C(C)C)C(OC)=O	283
+C1N(c2nc3c(ncnc3cc2)N)CCCC1NC(=O)CCOC	283
+c1cc(ccc1C(NC2(CC2)C(NC3c4n(-c5c(cccc5)CC3)ccn4)=O)=O)F	284
+CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O	285
+c1cc(ccc1)COC(=O)CC2(CCCC2)C(NC(c3nnn[nH]3)Cc4ccc(cc4)-c5cc(Cl)ccc5)=O	286
+c1cc(ccc1C#N)CCNC(Cn2cnc3N(C(N(C)C(c23)=O)=O)C)=O	286
+c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2	286
+C1CN(CCC1Nc2ccc(N3CC(CNC(=O)C)OC3=O)cc2F)C(=O)OCc4ccccc4	287
+C1CC(CCC1)NC(C2(CC2)c3c(F)cc(cc3)Br)=O	288
+C(C)C(CC)CNC(=O)CN1C=CC=C(NC(=O)OCc2ccccc2)C1=O	289
+O=S(=O)(NCCC(=O)NC(c1cncn1C)(C)c2ccc(c(F)c2)C#N)c3cc(OC)ccc3	290
+c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2	290
+c1ccccc1-n2nc(cc2OCC(=O)N3C(CCC3)C(NCCF)=O)C(OCC)=O	291
+C1CCCCC1CNC(=O)NNC(CCN2CCN(CC2)c3ccccc3OC)=O	292
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)NC(=O)C4C(C(=O)NO)CC5(CC5)CN4C	293
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C	294
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C	295
+C1CC1C#Cc2cc(no2)CCC(S(=O)(=O)C)(C)C(NOC3CCCCO3)=O	296
+CC(C)(C)OC(=O)NC1(CC1CC)C(NS(=O)(=O)OC2(CC2)C)=O	297
+c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl	298
+c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F	299
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3	300
+C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C	300
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3	301
+C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C	301
+C1CCCC1CC(C(Nc2ncc(Br)cc2)=O)c3ccc(c(F)c3)-n4c(nnn4)C	302
+FC(F)(F)C1N(c2ncc(cn2)-c3cccc(NC(C(C)n4cnc5N(C)C(=O)N(C(=O)c45)C)=O)n3)CCC1	303
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(c3)-c4cccc(C(=O)NC(C)(C)C(Nc5noc(C)c5)=O)c4)o2	303
+c1cc(ccc1)C(c2cc3[nH]nc(-c4ccccc4)c3cc2)C(C)(C)C(=O)Nc5sccn5	304
+FC(F)(F)c1cc(ccc1)S(=O)(=O)CCSc2c(NC(Cc3c(cccc3)OC)=O)cccn2	305
+CC(C)(CC)c1ccc(OC(C(=O)Nc2cc(O)c(cc2)NC(=O)C(F)(F)C(Cl)F)CC)c(c1)C(C)(C)CC	306
+CC(C)(CC)c1ccc(OCC(=O)Nc2ccc(cc2)Nc3cc(ccc3)O)c(C(C)(C)CC)c1	306
+c1(c[nH]c2c1cc(cc2)NC(CCCCC)=O)Cc3c(cc(cc3)C(=O)OC)OC	306
+c12c(-c3c(c4c(cccc4)c(n3)O)C1)ccc(NC(=O)CCl)c2	306
+c1cc(ccc1N2CCc3cc(ccc3C2Cc4ccc(cc4)OCc5ccccc5)OC)NC(=O)C	306
+n1cc(-c2cc(NC(CC)=O)ccc2)nc3ccccc13	306
+O=S(=O)(Nc1scnn1)c2ccc(cc2)NC(=O)CCCCCCCCC	307
+c1cc(ccc1Cl)CN2C(C(=NN(c3cccc(NC(=O)COC)c3)C2=O)OC)=O	307
+CC(C)(C)C(=O)OCn1nc(N2C(C(C(O)C(Nc3ccc(cc3C(N)=O)I)=O)OCC2)=O)cc1	308
+c1ccccc1CCC(C(NC(CC(C)C)C(Nc2ccccc2)=O)=O)CSC(C)=O	308
+c1cc(ccc1Br)CN(c2ccc(cc2)NC(=O)C)n3cnnc3	309
+c1cc(ccc1C=2c3c(CC(NN=2)=O)cc4OCOc4c3)NC(C)=O	309
+c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl	309
+c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F	309
+FC(F)(F)C(NC(=O)C(N1CCC(C1(C)C)C(Nc2cc(c(F)c(c2)F)Cl)=O)=O)C	310
+CC(C)(C)OC(=O)N1CC(OC)CC1C(=O)Nc2ccc(cc2F)-n3ccc(C)n3	311
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(Nc3c(cccc3)N)=O	311
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(Nc2ccccc2)=O)CNC(C)=O	311
+c1cc(N)c(NC(CCCCCCCNC(=O)c2c(C)[nH]c(C=NN=C3c4c(ccc(F)c4)NC3=O)c2C)=O)cc1	311
+FC(F)(F)C(O)(C(Nc1ccc(c(OC)c1)S(=O)(=O)c2ccncc2)=O)C	312
+c1cc(ccc1OCCCCCCCCCCCCCC)CC(=O)Nc2cccc(CO)c2	313
+c12NC(Cc1ccc(c2)-c3cc(OCC)ccc3)=O	314
+C1OC(CCC1)OCC2CCc3cc(NC(C)=O)ccc3O2	315
+O=S1(=O)CCCN1c2ccc(cc2)NC(=O)C(CCC)Oc3cccc(-c4noc(n4)C)c3	316
+C1CC(CCO1)CC(C(=O)N(C)OC)c2nn(C)c(SC)c2	317
+c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3N2C(C3(Br)C(c4cc5COCCn5n4)OC(C)=O)=O)=O	318
+c1cc(ccc1CN(Cc2n(ccn2)C)Cc3[nH]ccn3)CN(CCC(=O)OCC)CCCCN(CCC)CCC	319
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(Cc4ccc(cc4)C)c(cc3c2)COC(C)=O	320
+C(OC(=O)C)c1c(Br)c(C)cc(OC(=O)C)c1	321
+CC(C)(O)c1ccc2c(CCN(C2=O)c3cccc(Br)c3COC(=O)C)c1	322
+CC(C)(C)OC(N1CCC2(CC1)c3n(c(cc3)C#N)-c4c(cc(COC(C)=O)cc4)O2)=O	323
+c1(Br)cc(cc(Br)c1COC(C)=O)F	324
+Cc1cc(cc(C)c1O)CC(OC)=O	325
+C(CCCCCCC(=O)OCCCCCC)C=CCCCCCCCC	326
+c1cc(ccc1)COC(COc2cc(C)c(c(c2)C)S(=O)(=O)Cl)=O	326
+C1CC(CCN1C(c2ccccc2)C(OC3CN4CCC3CC4)=O)C(N)=O	327
+C1CC(=O)N(C1=O)OC(CCCOc2cc3c(C(CCCN(C)C)c4c(cccc4)CC3)cc2)=O	328
+CC(C)C(c1cc(C)ccc1OC)CCC(=O)O	329
+C1N(CC1SC(=O)C)c2scc(C(=O)NC3CN(CC3)C(=O)OCc4ccc(cc4)[N+]([O-])=O)n2	330
+CC(C)(C)OC(NCC(SC(C)=O)C)=O	331
+c1cc(ccc1C(Cc2c(ccc(-c3sccc3)c2)OC)=O)F	332
+CC(C)(C)OC(=O)N1CC(C(c2cc(F)c(Cl)cc2)=O)CC1	333
+c1cc(ccc1CC(=O)c2ccc(cc2)F)SC	334
+CCC(c1cccnc1F)=O	335
+n1ccc2cccc(c2c1)C(=O)C	336
+C1CCCCN1c2ccc(cc2)C3(OC)OC3(C)C	337
+CC1(C)c2ccc(NC(=O)C)cc2NC(C1)=O	338
+COc1cc2CC3(C(=CC(=O)CC3)c2cc1)C	339
+c1c(c(c2c(c1)C3=CC(=O)CCC3(CCCC)C2)C)OC	339
+CC1(C)CC2(CC1)CNC(=O)C2	340
+O=S(=O)(c1ccc(c(Cl)c1C=2CC(ON=2)C)C(=O)OC)C	341
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=4CC(ON=4)C(OC)OC	342
+c1ccccc1C(c2ccccc2)C3OC3	343
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(C3=C(N(CC(C)(C)O)N(c4ccccc4)C3=O)C)=O	344
+c1ccccc1N2N(C(=C(C(Nc3cc(F)c(O)cc3Cl)=O)C2=O)C)C	345
+COc1ccc(CCBr)c([N+]([O-])=O)c1	346
+C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O	347
+C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O	348
+n1c(c2c(nc1NCc3ccc(c(Cl)c3)Cl)ncn2CCCCBr)O	349
+C(CCCCCCCCCCCCBr)CCCCOC(C)=O	350
+O=S1(=O)CCC(CC1)CCBr	351
+CC(C)(n1ncc(c1)-c2ncnc3c2cc[nH]3)CCC#N	352
+CC1(C)C(Cl)(Cl)C1CC#N	352
+C[Si](C)(C)CCOC(C(CC)c1c(I)cccc1)=O	353
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2ncnc3sc4CCC(CC(CC)O)c4c23	354
+CC(C)C(c1cc(C)ccc1OC)CCC(N)=O	355
+CC(C)(C)[Si](C)(C)OC1C(C(c2cnccc2)OC1)CCC(=O)OC	356
+C(CCCCCCCC(OC)=O)CCCCCCCCC(CC)C	357
+C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC	357
+C(CCCCCCCC(OC)=O)CCCCCCCCC(CC)C	358
+C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC	358
+CC(C)(CC=C)CCO	359
+c1cc(ccc1S(=O)(=O)n2c3ccc(cc3c(C4C(CCO)C4)c2)C#N)C	360
+c1ccccc1-c2ccc(cc2)CCCCCO	361
+c1cc(ccc1C2CCC(CC2)C(=O)OC)CCC3CCC(CC3)CCC	362
+c1cc(ccc1Cl)-c2c(ncc(C(=O)NC3CCCCC3O)c2)CCCOC	363
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(Cl)cnc(CCCO)c4	364
+c1ccc(CCC)cc1OCOC	365
+c1nn(c2c1C(CCCl)CCC2)-c3cc(c(cc3)Cl)Cl	366
+c1ccccc1OCCCCC(CCl)C	367
+c1ccccc1OCCCCC(CCl)C	368
+C(OC(=O)CCOCCCl)C	369
+CC(C)(C)OC(Nc1ccc(CCI)nc1)=O	370
+FC(F)(CI)c1ncc(cc1)C	370
+FC(F)(F)CCC(c1cccc(c1)Cl)CI	371
+C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O	372
+C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O	373
+ICC(COCCCCCCCC)OCCCCCCCC	373
+CC(C)(C)[Si](C)(C)OC(Cc1cc(-c2ccccc2)ccc1)CCC3CCC(N3CCCc4ccc(cc4)C(=O)OC)=O	374
+CC(C)(C)OC(N(C1CCN(CC1)C(OCc2ccccc2)=O)CCNC(OC(C)(C)C)=O)=O	375
+CC(C)(C)OC(N(C1CCN(CC1)Cc2ccccc2)CCP(OCC)(OCC)=O)=O	376
+C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O	377
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(Cc2ccc(cc2)Cl)CCN(CC)CC	378
+C1CN(CCN1CCOc2c(cc3c(c(Nc4cc(ccc4)Br)ncn3)c2)OC)CC(=O)OCC	379
+c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O	380
+c1cc(ccc1C)NC(CC2(NC(Nc3cccc(c3)OC)=O)C(N(c4ccccc24)CCN(C)C)=O)=O	381
+C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC	382
+C1CN(CCN1c2ccccn2)CC3CCCC4(OCCO4)C3	383
+c1cc(ccc1C#N)-c2nnn(Cc3cc(C(=O)Nc4sc5CC(CCc5n4)N(CCOC)C)ccc3)c2	384
+C1CC(CCC1N(CCCOc2c(Cl)cc(c(c2)OC)CO)C)OC(C(c3cccs3)(c4cccs4)O)=O	385
+C1N(CC1(O)c2cc(cc(F)c2)Cl)CC	386
+C1CCCN1c2c3c4ccccc4n(c3nc(N5CCCC5)n2)CCN6CCCCC6	387
+C1CN(CCO1)CCCCn2cnc3nc(NCc4ccc(c(Cl)c4)Cl)nc(O)c23	387
+CC(C)(C)OC(NC(Cc1cnccc1)CN2CCC(CC2)C(c3ccc(cc3)F)=O)=O	387
+CC(C)(C)OC(NCC(CN1CCC(CC1)Oc2ccc(cc2)F)NC(OCc3ccccc3)=O)=O	387
+c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O	388
+CC(C)(C)OC(NC(C(NC1C(O)CN(CCC)C(CC1)C)=O)CC2CCCCC2)=O	389
+FC(F)(F)c1ccc(cc1)C23CN(CCCN4C=C(C(=O)NC4=O)c5c(F)nc(C)cc5)CC2C3	390
+C1CCCN(CC1)CCC2CCCc3n(ncc23)-c4ccccc4	391
+CC(C)(C)[Si](C)(C)OCc1cccc(n1)CCCN2CCOCC2	391
+CC(C)(Sc1cc2sc(N)nc2cc1)CN3CCCC3	391
+C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F	392
+c1cc(ccc1)C2CCN(CC2)CCC3c4cnn(-c5cc(c(cc5)Cl)Cl)c4CCC3	393
+c1cc(ccc1S(=O)(=O)n2c(cc3c2nccc3)-c4c5c(n(c4)CCN6CCOCC6)cc(c(OC)n5)OC)C	394
+C1C(CN1CC2Oc3c4ccc(C)nc4ccc3OC2)Cc5cn(c6c5cc(F)cc6)C	395
+C1CC(CCN1CCC2CCC(CC2)NC(=O)C)C(=O)c3ccc(F)s3	395
+C1CCCN1CC2(CCN(CC2)c3ncnc4nc[nH]c34)c5cccc(-c6cnn(C)c6)c5	395
+C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC	395
+C1CN(CCN1CCc2c(cccc2)[N+]([O-])=O)c3nsc4c3cccc4	395
+C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F	395
+C1CNCCN1CCOc2c(cc(F)cc2)F	395
+C1COCCN1CCc2sc3c(c2)c(N)nc(-c4cccc(C#N)c4)n3	395
+CC(C)(C)OC(N1CCN(CC1)CCCCc2cn(c3c(nc(CCCC)nc23)N)COCc4ccccc4)=O	395
+CC1(C)Oc2c(c(CCN3CCC(CC3)C(=O)OCC)ccc2)CO1	395
+CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O	395
+CN(C)CCCn1c2c(ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)c2)nc1	395
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1	395
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4nc(CC(F)(F)F)cn4CCN5CCC5	395
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(c(OC)c3)C=4NOC(=O)N=4)c(n2)CCCN5CCC5	395
+c12c(OC(CO1)CN3CC(Cc4c[nH]c5cc(F)ccc45)CCC3)c6c(nc(cc6)C)cc2	395
+c1cc(ccc1)C2=CN(C(c3ccccc23)=O)CCCN4CCCCC4	395
+c1cc(ccc1)C2CCN(CC2)CCC3c4cnn(-c5cc(c(cc5)Cl)Cl)c4CCC3	395
+c1cc(ccc1)CN2CC3CCC(C2)C3N(C)CCCC(c4ccc(cc4)C#N)Oc5ccc(c(OC)c5)OC	395
+c1cc(ccc1OCc2ccccn2)-c3nc(CCN4CCCC4)c(C)o3	395
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1	396
+CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O	397
+c1cc(ccc1)C(C)(CN(C)S(=O)(=O)c2ccccc2)CC=C(C)C	398
+FC(F)(F)c1cc(c(cc1)N(CC)CC2CCC(CC2)CC(=O)OCC)C=O	399
+FC(F)(F)c1cc(c(cc1)N(CC)CC2CCC(CC2)CC(=O)OCC)C=O	400
+c12c(cccc1)C(=O)N(C2=O)CCCCC=C	401
+c1ccc2c(c1)C(=O)N(C2=O)CC3CS(=O)(=O)N(C3)CC	402
+c12c(cccc1)C(=O)N(C2=O)CCCc3ccc(cc3)CCCCC	403
+FC(F)(F)COc1ccc(cc1N2CCNCC2)F	404
+CC(C)(C)OC(N(C(CCN1c2c(N(c3c(F)cccc3)S1(=O)=O)cccc2)c4ccccc4)C)=O	405
+c1c2c(CC(N(CCCNC(=O)Cc3cc(OC)c(OC)cc3[N+]([O-])=O)C)CC2)cc(c1)OC	406
+C1CCC(C1)C(=O)NCCn2c3CCN(Cc3c4cc(ccc24)C)C	407
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	408
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	409
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CCNC(=O)c3cccnc3	410
+CC(C)(C)OC(=O)N1CC(C1)(CNC(=O)c2c(ccc(F)c2Cl)F)C3CCCCN3C	411
+CN(C)C(C)(CCCC)CNC(=O)c1ccc(c(Cl)c1)Cl	411
+CC(C)(C)OC(=O)N(C)C(CNC(=O)c1cccc(C(OCCNC(OC)=O)c2cc(Cl)ccc2)c1)CC3CCCOC3	412
+CC(C)(C)OC(=O)NC(CNCC(Cn1c2ccc(F)cc2c3c1ccc(F)c3)O)C	413
+CC(C)(C)OC(N1CCN(CC1)C(c2c(cccc2)F)CNCC(CC)CC)=O	414
+c1cc(ccc1Nc2ncc(cc2)C(=O)N)CCNCc3ccccc3	415
+CC(C)(C)OC(=O)NC(CO)CNCCN	416
+C1CC(CCC1CNCC)CC(=O)OCC	417
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CNCC(F)(F)F)=O)cnc12	418
+CC(C)(C)OC(=O)N1C(CC2CCCC12)CNCc3ccccc3	419
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CNCC(F)(F)F)=O)cnc12	419
+c1(Cl)cc(cc(Cl)c1NCC(OCC)=O)CCNC(C(c2ccc(cc2)O)O)C	419
+c1cc(ccc1)CCOCCC(N(C)CCNCC(O)c2c3SC(=O)Nc3c(OCc4ccccc4)cc2)=O	420
+c1cc(ccc1)CCOCCC(N(C)CCNCC(O)c2c3SC(=O)Nc3c(OCc4ccccc4)cc2)=O	421
+FC(F)(F)c1cc(-c2[nH]c(nc2)C3CCC(CC3)CNCC)ccc1	422
+C1CN2CCC1C(NCCc3n(C)c4ccccc4c3)C2	423
+FC(F)(F)Oc1ccc(cc1)CNCC	423
+C1CN2CCC1C(NCCc3n(C)c4ccccc4c3)C2	424
+c1cc(ccc1C(OCC)=O)-c2cc(-c3ccc4C(C)(C)CCC(C)(C)c4c3)c(cc2)OCCCNC5CC5	425
+CC(C)(C)OC(NC(C(O)CNCc1cc(ccc1)OC)Cc2cc(F)cc(F)c2)=O	426
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(C)c(OCCNCCO)c(CC)c4)c2)OC	427
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)CNCCO	427
+O=S(=O)(NCCOc1c(cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)cc1Br)OCC)C	428
+n1cccnc1NCCN2CC(O)C(CC2)NCc3ccccc3	429
+CC(C)(C)OC(N1CCC(CC1)(CCCNc2ccc(nc2C)N3CC(CC3)N4CCCC4C)C(=O)OCC)=O	430
+C[Si](C)(C)CCOCN1C(c2cc(ccc2N=C1n3ncc(C(OCC)=O)c3)NCC)=O	431
+CC(C)(C)OC(=O)NC(CN=[N+]=[N-])CCC(OC)=O	432
+C(C)(=O)CC(C(O)CN=[N+]=[N-])O	433
+CC(C)(C)OC(=O)NC(CN=[N+]=[N-])CCC(OC)=O	433
+CC(C)(C)OC(N1CC(CC1CN=[N+]=[N-])O)=O	433
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(N3C(=O)OC(CN=[N+]=[N-])C3)cc2)F)=O	433
+[N-]=[N+]=NCCCCC#C	433
+[N-]=[N+]=NCCCC1NC(c2[nH]c3c(cc(OC)cc3)c2C1)=O	434
+FC(F)(c1ccc(C)cn1)CN=[N+]=[N-]	435
+C(C=CCC=CCCCCC)C=CCC=CCCCCN=[N+]=[N-]	436
+CC(C)(C)OC(=O)N1CC(CC(CN=[N+]=[N-])C1)N2C(c3c(noc3C)-c4c(Cl)cccc24)=O	437
+CC(C)(C)OC(=O)N1CC(CC(CN=[N+]=[N-])C1)N2C(c3c(noc3C)-c4c(Cl)cccc24)=O	438
+CC(C)(C)OC(NC(CC1CCCOC1)CN=[N+]=[N-])=O	438
+Cc1ccccc1-c2c(ccc3CC(CN=[N+]=[N-])Oc23)F	438
+FC(F)(c1ccc(C)cn1)CN=[N+]=[N-]	438
+O=S(=O)(C)c1cc(C(CCN=[N+]=[N-])NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)ccn1	439
+CC(C)(C)OC(C1CC2(CCC1(CC2)CN)CN)=O	440
+CC(C)(C)OC(=O)NC(CN)C	441
+CC(C)(C)OC(C1CC2(CCC1(CC2)CN)CN)=O	441
+FC(F)(c1ccc(C)cn1)CN	442
+C(C=CCC=CCCCCC)C=CCC=CCCCCN	443
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	444
+C1COCCN1CCCN2C=3c4cc5OCOc5cc4C(C=3c6c(cc(c(OCCCN)c6)OC)C2=O)=O	445
+NCCc1cc(Cc2cccnc2)cc(CCC(OCC)=O)c1	446
+c1cc(ccc1SC(C#N)(CCCCCN)c2ccc(OC)c(c2)OC)C	447
+FC(F)(c1ccc(C)cn1)CN	448
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	449
+O=S1(=O)N(CC(CN)C1)CC	450
+c1cc(ccc1CCCN)CCCCC	451
+O=S1(=O)N(CC(CN)C1)CC	452
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	453
+CC(C)(C)OC(NC(CC1CCCOC1)CN)=O	454
+C(C=CCC=CCCCCC)C=CCC=CCCCCN	455
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	455
+CC(C)(C)OC(NC(CC1CCCOC1)CN)=O	455
+CC(C)(C)OC(NC(COC)CN)=O	455
+Cc1ccccc1-c2c(ccc3c2OC(CN)C3)F	455
+FC(F)(c1ccc(C)cn1)CN	455
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	456
+O(CC)P(OCC)(CCOCCN)=O	457
+O=S(=O)(c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCN)C	458
+O=S(=O)(c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCN)C	459
+Cc1ccccc1-c2c(ccc3c2OC(CN)C3)F	460
+c1ccccc1COC(=O)NC(CN)COC	461
+c1ccccc1COC(=O)NC(CN)COC	462
+c1c(C)nc(CCN)cc1	463
+c1cc(ccc1CCCN)CCCCC	463
+CC(C)(C)OC(=O)NC(CCC(OC)=O)COS(=O)(=O)c1ccc(cc1)C	464
+C1OC(CCC1)OCC2Oc3c(cc(cc3CC2)F)[N+]([O-])=O	465
+CCOC(Cc1ccco1)=O	466
+c1cc(ccc1Br)-c2nc(c(C)o2)CCOCc3ccccc3	467
+C(CCCOCCCOCCCCCCCCCCCCCCCCCC)O	468
+c1cc(ccc1)C(CC=C)(COC)C	469
+C1CCC(C1)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	470
+CC(C)(C)OCCCON	471
+O=S(=O)(C)OCCCC1=C(c2ccc(C)nc2N(CC)C1=O)c3cccc(c3)Cl	472
+O=S(=O)(C)OCCCC1=C(c2ccc(C)nc2N(CC)C1=O)c3cccc(c3)Cl	473
+O=S(=O)(C)OCCC(C)(C)CC1OCCO1	474
+O1CCOC12CCC(CC2)(CC)COS(=O)(=O)c3ccc(cc3)C	475
+CC(C)(C)[Si](C)(C)OCC1C(CCN1C(=O)OC(C)(C)C)O	476
+CC(C)(C)[Si](C)(C)OCC(C)(C)c1cc(N)n(-c2ccccc2)n1	477
+CC(C)(C)[Si](C)(C)OCC(C)(C)CCC#N	478
+CC(C)(C)OC(N1CC(C1)CCOc2cccc(Oc3ccc(cc3)Cl)c2)=O	479
+c1cc(-c2oc(-n3c(ncc3)C)nc2CCCCOc4c(C)cccc4)c5c(cccc5)c1F	480
+c1cc(c(c(F)c1OCCOC)C#N)I	481
+c1cc(OCCBr)cc([N+]([O-])=O)c1OCC(OC)=O	482
+CN(C)CCOc1ccc(cc1)C(Cc2ccc(cc2)Cl)=O	483
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(OCC)cc3)C1=O)N(c4ccc5nc(oc5c4)C)C	484
+c1cc(ccc1OCCCCCC)S(=O)(=O)N(CC(C)C)CC(=O)OCC	484
+FC(F)(F)c1cc(-c2cc3n(nnc3c(C#N)n2)C)ccc1OCC4CCN(CC4)c5cc(ccn5)C	485
+c1cccc2nc(-c3c(OCCOCCOCCOC)cc([N+](=O)[O-])cc3)sc12	486
+CC(C)(C)OC(=O)NC(COc1c(cc(N)cc1)-c2n(C)ncc2)C	487
+FC(F)(F)c1cc(-c2cc3n(nnc3c(C#N)n2)C)ccc1OCC4CCN(CC4)c5cc(ccn5)C	487
+O=C1c2c(cccc2)C(=O)N1C(COc3c4c(cncc4)ccc3)C	487
+C1CCC(C1)c2c(OCCCC(=O)OC)ccc(-c3c4c(c(Br)c5ccccc35)sc(C)c4C)c2	488
+FC(F)(F)COc1c(CC(OC)=O)ccc(c1)OCC2OC2	489
+CC(C)Oc1cc(C(=O)Nc2ncc(C(=O)OC)cc2)cc(OCC(C)C)c1	490
+c1cc(ccc1N2CCN(CC2)c3ccncc3)OCCCC(OCC)=O	491
+c1(cccc(OCC)c1Br)C(=O)C	492
+c1cc(ccn1)OCC(C2CCCCC2)n3c4c(nc3-c5ccc(cc5)Cl)cc(c(c4)F)F	493
+O=S(=O)(C)c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCO	494
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(SCCCO)cc3Oc4ccccc4)sc2	495
+C1CN(CCO1)Cc2[nH]c3c4c(C5CC(CO)CN(C#N)C5Cc24)ccc3	495
+CC(C)(C)OC(=O)N1CC(CO)C(CC1)c2ccc(cc2)Cl	495
+CC(C)(C)[Si](C)(C)OC1CCN(C1CO)C(=O)Nc2c(C)c(Cl)c(C#N)cc2	495
+CC(C)=CCCCCCO	495
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)-c3cnn(C4(CC(C4)CO)CC#N)c3	495
+c1cc(ccc1)-c2oc(c(n2)CCO)C	495
+c1ccccc1CC(=O)NC2C(N(Cc3ccc(cc3OC)OC)C2=O)CO	495
+C(CCCO)n1c2c3c(cccc3)ncc2nc1CCC	496
+c1cc(ccc1)C(N2C(CC(CC(C)CO)C2)=O)C	497
+CC(C)(C)OC(=O)N(C(CCO)c1ccc(cc1)OCc2ccccc2)C	498
+c1[nH]c2c(c1CCCO)c(C)c(cc2)[N+]([O-])=O	498
+C(C)N(CC)C(c1ccc(cc1)C(CCO)c2cccc(OC)c2)=O	499
+CC(C)(C)c1cc(n(-c2ccc(cc2)CCO)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	499
+COc1ccc(CCO)c([N+]([O-])=O)c1	499
+Clc1cccc(c1)C2=C(C(N(c3nc(C)ccc23)CC)=O)CCCO	499
+c1ccccc1OCCCCC(CO)C	499
+C1C2CCCC(CC1C(OC)=O)C2N3C(=O)C(C)(C)C(C3)CO	500
+c1(C(C(N)CO)C)[nH]cnc1	501
+CC(C)(C)OC(=O)N1CC(CO)CC(C1)N2c3cccc(Cl)c3-c4noc(c4C2=O)C	502
+C1CN(CCO1)c2c(c(c(C(OCC)=O)s2)C(c3cc(c(Cl)cc3)Cl)CCO)C#N	503
+CC(C)(C)OC(N(c1ccc(I)cc1F)C=2N(C)C(=O)C=CC=2NS(=O)(=O)C3(CC3)CCO)=O	503
+CC(C)c1c(cc2OCOc2c1)CCO	504
+c1cc(ccc1Br)-c2nc(c(o2)C)CCO	505
+O=S(=O)(C)OCC(CCCCC)c1c2OCOc2ccc1	506
+CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O	507
+CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O	508
+O=S(=O)(C)OCCCC1Cc2c(C(=O)N1)[nH]c3ccc(OC)cc23	509
+c1ccccc1COC(=O)NC(COS(=O)(=O)C)COC	509
+O=S(=O)(C)c1cc(C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CCOS(=O)(=O)C)ccn1	510
+c1c(C=2C(NC(=O)C=2c3cn(C)c4ccccc34)=O)c5c(cccc5)n1CCCS(=O)C	511
+CC(C)(C)OC(N1CCC1COc2cnc(Cl)c(c2)CC)=O	512
+CCCCCCCCCCCCc1sccc1	513
+C1CC2(CCN1Cc3ccccc3)Cc4c(C2)ccc(OC)c4	514
+C1N(CC=C(COc2ccccc2I)C1)C	515
+O1CCOC12CCC(c3cc(F)c(F)cc3F)=CC2	516
+c1cc(C=2CCC(CC=2)C=C)c(c(F)c1OCC)F	516
+C1C(c2cccc(c2F)F)=CCC(CCCCC)C1	517
+C1CC1CN2CCN(CC2)c3c(C=4CC(C)(C)CC(C)(C)C=4)cccc3	518
+c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2	519
+c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2	520
+c1cc(ccc1)CC(=O)C=CC2N(CCCCOCC(=O)OC)C(CCC2)=O	521
+C(CCCCCC(OC)=O)CCCCCCCCC=CC(CC)C	522
+O(C)c1c(cc(C(=O)OC)cc1OC)CCC=CCC	522
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F	523
+c1ccccc1COc2cc3C=CC(C)(C)Oc3cc2	524
+c1ccccc1COc2cc3C=CCc3cc2	524
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F	525
+CC(C)(C)OC(=O)N1CCC(C1)C=C	526
+CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C	527
+c1ccccc1COCC(OCC=NO)CC=C	528
+CC(C)(C)OC(NC(Cc1ccccc1)(C)C=NO)=O	529
+CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C	529
+FC(F)(F)C(C=Nc1cc(cc2c1cnc(C)n2)F)(CC(c3cccc(c3OC)F)CCC)O	530
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=O)F	531
+CC12C3CCC4(C(CCC4C=O)C3CCC1CC(C)(O)CC2)C	531
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1	532
+CC(C)(c1c2c(ccc1)CCO2)CC=O	533
+CC(C)(COc1ccc(cc1)OC)C=O	534
+COc1c(cc(F)c(c1)CC=O)C#N	534
+c1c(OC)c(c(cc1CC=O)OC)OCc2ccccc2	534
+C1CC(CCN1OC)CC=O	535
+CC(C)(C)OC(=O)CC1CC(C(N(C(CC)C=O)C1=O)c2ccc(cc2)Cl)c3cc(Cl)ccc3	535
+c1(C(C=O)C)ncccc1Cl	535
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCC=O)c1	535
+c1cc(ccc1F)C(C)(C)CCC=O	535
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1	536
+C1OC(CCC1)OCC(C)C=O	537
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)C=O)=O)cnc12	538
+CC(C)(C)OC(=O)N1CC(CC1C)c2ccccc2	539
+c1cc(ccc1)COC(N2CC(CC)C(C2)N=[N+]=[N-])=O	540
+c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O	541
+c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O	542
+CC1(C)Cc2c(OC)cccc2C1N3CCCCC3	543
+C1CC2(CCC1OC)Cc3cc(c(Br)cc3C2=N)F	544
+CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(cc1)Oc2cc3c(COC3)cc2)C	545
+c1cc(ccc1OCC(=O)Nc2c(C(=O)OC)cc(cc2)Br)C#N	546
+CC1CN(CC(C)O1)C2CCN(CC2)CC34c5c(cccc5)C(C3)c6c4cc(cc6)Cl	547
+C1C(CC1)N2CCc3c(cc(Oc4c(cc(cc4)I)F)cc3)CC2	548
+c1cc(ccc1-n2nc3CCN(CCc3c2)C4CCC4)NS(=O)(=O)C	549
+CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4	550
+CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4	551
+C1CC(CCN1C(C)=O)C(=O)Nc2cc(ncn2)-c3ccccc3OCC	552
+c1cc(ccc1CC(C)(C)C(N2CCCC(CNC(=O)Nc3cc(-c4n(nnn4)C)ccc3)C2)=O)F	553
+c1cc(ccc1C2(CCC2)C(N3CC(CO)CCCC3)=O)Cl	554
+C1CN(CCN1C)C(c2cccc(c2)Br)c3ccc(cc3)Cl	555
+FC(F)(F)C(=O)N(C(C)c1ccccc1)C2CCC3(OCCO3)CC2	556
+C1CC(CCN1C)N(C(=O)Cc2ccc(OC)c(O)c2)Cc3ccc(cc3)C	557
+C1CN(CCC1C)C(Cc2ccc(cc2Cl)[N+](=O)[O-])=O	558
+CC(C)(C)OC(NC(Cc1ccc(c(F)c1)Cl)C(N2CCN(CC2)c3c4c(ncn3)CSC4CC)=O)=O	559
+c1cc(ccc1F)-c2nc(n(CC(=O)N3CCN(CC3)c4cc(OC)ccn4)n2)-c5ccc(cc5)F	559
+C1C(CN1C(=O)CCOCCc2ccc3c(ccs3)c2)O	560
+FC(F)(F)c1ccnc(COCC(=O)N2CC(NC(OC(C)(C)C)=O)CC2)c1	560
+c1ccccc1COC(=O)C2OCCN(C2)C(CCl)=O	561
+c1cc(ccc1C(C)C)CC(N2CCN(CC2)c3c(c(ncn3)N)C=NOCC)=O	562
+C1CC(CCC1C(=O)N2CCNCC2)CN3C(N(c4ccccc4C3=O)C)=O	563
+C1C(CC1)(C(=O)N2CCC(Nc3cc(c4cc(OC)ccc4n3)C)C2)c5ccc(cc5)Cl	564
+C1CC(CCN1C(=O)C2CCN(CC2)C(=O)C)N(CCC)C3Cc4c(CC3)ccc(OC)c4	564
+c1cc(ccc1Cl)C2CN(CCC2C(Nc3ncc(cc3)C#N)C)C(C4CCN(CC4)c5ccc(cn5)C#N)=O	564
+C1CC(CCC1C(=O)N2CCC(CC2)N(C)C)Nc3nc(ccn3)-n4ccc5c4cccc5OCCCS(=O)(=O)C	565
+CC(C)(C)OC(N(Cc1c(F)cc(cc1)F)C2CN(Cc3ccccc3)C(C(=O)N4CCN(CC4)c5ccc(cc5)C(C)=O)C2)=O	566
+C1CN(CCN1C)C(=O)CCc2cccc(c2)O	567
+FC(F)(F)c1ccc(cc1)CNC(=O)N2CC(c3cc(ccc3)OC(C)(C)C(OCc4ccccc4)=O)CCC2	568
+C1CN(CCC1Nc2ncc(C(=O)OC)cc2)C(Nc3ccccc3)=O	569
+C1CN(CCN1C)C(=O)Nc2cccc3nc(ccc23)NC4c5c(CC4)cccc5	570
+n1cc(cnc1NCC2CCN(CC2)C(=O)OCc3ccccc3)-c4ccc(cc4)S(=O)(=O)C	571
+C1CN(CCC1(c2c(C)cccc2)C#N)C(OCC)=O	572
+c1cc(ccc1)COC(=O)N2CC3C(=O)CCC3C2	573
+c1cc(ccc1Br)OC(N2CCc3c(O)nc(nc3C2)C)=O	573
+CC(C)(C)OC(=O)NCCN(C1CCC(CC1)(O)CC(OCc2ccccc2)=O)C(OC(C)(C)C)=O	574
+CC(C)(C)OC(=O)N(C1C(F)CN(C1)C(OCc2ccccc2)=O)C	575
+CC(C)(C)OC(=O)N(C1c2c(cc(cc2)C#N)OCC1)C	575
+CC(C)(C)OC(N1CCCC(N(C(=O)CC)c2ccccc2)C1)=O	576
+C1CN(CCN1C)C(=O)c2ccc3CN(c4c(cccc4)Cn23)C(c5ccc(cc5)C6CCCCC6)=O	577
+c1cc(ccc1S(=O)(=O)N(C)Cc2c(Cl)c(C(=O)N3CC(C(NCc4onc(C)n4)=O)Oc5ccccc35)sc2)Cl	578
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CC2)C(=O)c3ncn(-c4ccc(cc4)S(=O)(=O)C)c3	579
+FC(F)(F)c1cc(-c2occc2)cn3c(Cl)c(C(N4C(CN(C)CC4)c5ccccc5)=O)nc13	580
+C1CN(CCN1C(c2n[nH]c(-c3cnc(nc3)Oc4ccccc4)c2)=O)C	581
+C1CC1c2cccc(n2)C(N3CCN(C(OCc4ccccc4)=O)C(C)(C)C3)=O	582
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)C(=O)c3ccccc3	583
+c1cc(ccc1Nc2nc3-n4c(N(C(=O)c3cn2)c5c(cccc5Cl)Cl)ncc4)C(=O)N6CCC(CC6)N(C)C	584
+CC(C)(C)OC(N1CCN(CC1)C(c2cc(nc3c2c(nn3C4CCCCO4)I)Cl)=O)=O	585
+C1CN(CCN1C)C(=O)c2ccc3CN(c4c(cccc4)Cn23)C(c5ccc(cc5)C6CCCCC6)=O	586
+CN(C)C(Cc1c(Sc2c[nH]c3ccccc23)cccc1)=O	587
+C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O	588
+C1(C(CC)=CN(C2CC(O)C(CN(C)C(Cc3ccccc3Br)=O)O2)C(N1)=O)=O	589
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(C)CCOC	590
+CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C	591
+CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C	592
+CC(C)(C)OC(N(Cc1ncccc1)C)=O	593
+C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3	594
+C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3	595
+CC(C)(C)OC(Nc1nc(C(N(C)C)=O)cs1)=O	596
+c1cc(ccc1)-n2nc(C(OC)=O)c(C(=O)N(C)C)n2	597
+c1cc(ccc1C(N(C)Cc2cccc(c2)OC)=O)-c3cc(ccc3C)-c4nnc(C)o4	598
+CN(C)CC(=O)N1c2ccc([N+]([O-])=O)cc2CC1	599
+CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O	600
+CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O	601
+CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2	602
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C	603
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C	604
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCN(CC)CC	604
+c1ccccc1CCCCN(C)C	604
+CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2	605
+CC(C)(C)OC(N1CC(NC(=O)COCCN(C)C)CC1)=O	606
+C(C)N(CC)Cc1nc2cc(c(cc2c(c1C(C)=O)-c3cc(c(cc3)OC)OC)OC)OC	607
+CN(C)Cc1cc(N)ccc1Br	608
+C1CN(CCN1c2oc(nn2)C3CCC4N(C(=O)N3C4)OCc5ccccc5)C	609
+c1cc(ccc1F)S(=O)(=O)N2CCN(CC2C(=O)OCC)C	609
+C1CN(CC1c2nnc3n2cc(cc3)F)C	610
+C1C(C(CN(C(=O)OCC)C1)CC)=O	611
+c1cc(ccc1)CN(CCc2cccnc2Cl)CCO	612
+c1ccccc1S(=O)(=O)Nc2cccc(Sc3ccc4c(CN(C(N)=N4)CCC)c3)c2	613
+O=S(=O)(N(C)C(CO)C(CC)C)c1ccc(cc1)Cl	614
+C(O)CN(C)c1n(C)ncc1[N+](=O)[O-]	615
+CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(CN3CCC(CC3)CCC)=C(Cl)C=C(C2=O)Cl	616
+C1CN(CCN1CC(COc2c(OC)cccc2)O)CC(Nc3c(cccc3C)C)=O	617
+c1cc(ccc1SCCCN2CCC(CC2)c3c4c(n(c3CC)-c5ccccc5)cc(F)cc4)F	618
+FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C	619
+CC(C)(C)OC(=O)N1CCN(CC1)CCn2ncc3cc(ccc23)Oc4c(cc(cc4)F)C#N	620
+c1cc(ccc1)N2CCN(CC2)C(=O)NCCCCN(CCC)C3CCc4c(C3)scn4	621
+C1CN(CCC1O)CC23CC(c4ccc(cc24)Cl)c5ccccc35	622
+CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O	622
+CC(C)(CN1CCCC(CNC(=O)Nc2cc(-c3n(nnn3)C)ccc2)C1)Cc4ccc(cc4)F	622
+c1cc(ccc1Cl)C2(CCC2)CN3CC(CCCC3)CO	622
+C1CN(CCN1C)CCCOc2ccc(cc2)NC=C3c4ccccc4NC3=O	623
+C1CN(CCN1CCC2CC(Nc3ccccc23)=O)c4cccc5c4cc(cc5)OC	624
+C1CN(CCN1CCCCc2c3cc(ccc3[nH]c2)C#N)c4sc(C#N)c(n4)C	624
+CC(C)(C)OC(=O)NC1CCCCC1CN2CC(COC)CCC2	624
+CC(C)(C)OC(=O)NC1CCN(CC1)CC2CN3C=4N2C(=O)C=CC=4N=CC3=O	624
+CC(C)(C)OC(N1CC(c2ccccc2)C(CN3CCC4(CC3)CCN(Cc5ccc(cc5)Br)C4=O)C1)=O	624
+CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O	624
+c1cc(ccc1)C(c2ccccc2)CN3CC(O)(CC3)C	624
+c1cc(ccc1C(CCCCN2CCN(C(=O)OCC)C(C)C2)c3cnccc3)F	624
+c1cc(ccc1C2(CCC2)C(N3CC(CN4CCN(CC4)c5c(OC)cccc5)CCC3)=O)Cl	624
+c1ccccc1-n2c3c(c(ncn3)NCCCN4CCN(CC4)c5cccc(Cl)c5Cl)nc2-c6ccccc6	624
+c1cc(ccc1)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN3Cc4ccccc4C(C5CCC5)(C(O)C3)O	625
+C1CN(CCN1CCC(C(C2CCCCC2)=O)c3ccccc3)c4ccccc4OC	626
+C1CN(CCN1CCOc2cc3c(cc2)OCC(N3)=O)c4c5c(nc(cc5)C)ccc4	627
+O(C(=O)C1CN(CCSc2c(ccc(F)c2)F)CCC1CCC(=O)c3c4c(ccc(OC)c4)ncc3F)C	627
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(OCC)=O	628
+c1cc(ccn1)C(Cn2c3c(c4cc(ccc24)C)CN(CC(O)C)CC3)O	629
+C1CN(CCN1c2c3c(nc(cc3)C)ccc2)CCc4ccc5OCC(N(C)c5c4F)=O	630
+CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)c3cc(ccc3)NC(=O)CC	630
+C1CN(CCN1CC2(CCOCC2)c3ccc(cc3)OCCCN4CCCC4)C	631
+FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C	631
+c12c(cccc1)C(=O)N(C2=O)CCCN(C(C)C)S(=O)(=O)c3ccccc3[N+]([O-])=O	632
+C1N(C)c2c3N(C1)C4C(CN(C(=O)OCC)CC4)c3ccc2	633
+N1(c2ccc([N+]([O-])=O)cc2OCC1)C	634
+n1c2c(ccc(Nc3cc(C=4CCN(C)CC=4)ncn3)c2)ccc1	635
+FC(F)(F)c1ccc(cc1)-c2nc(CN3CCN(CC3)Cc4ccc(c(OC)c4OC)OC)c(C)n2C	636
+CC(C)(C)OC(=O)n1nc(cc1)CN2CC(C)NC(C2)C	637
+n1cccnc1CN2CC(C2)n3c(-c4ccnc(n4)N)c(nc3)-c5ccc(cc5)F	638
+CC(C)(C)OC(N1CCN(Cc2c(ccc(OS(=O)(=O)C)c2)Cl)C(C1)=O)=O	639
+CC(C)(C)OC(N1CC(C(=O)N(CC(C)C)Cc2cc3c(OCCCO3)c(Cl)c2)CC1)=O	640
+CC(C)(C)OC(=O)N(C)Cc1ccc(c(c1)F)CO	641
+CC(C)(C)OC(N(Cc1cc2c(OCO2)cc1)CCCBr)=O	642
+CC(C)(C)OC(N(Cc1cc(ccc1Oc2cc(Cl)c(cc2)Cl)Br)C)=O	643
+c1cc(ccc1F)COC(N(Cc2c(-c3cc(ccc3OC)CC(OC)=O)cc(cc2)OC)CC)=O	644
+CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)CCCCN(Cc1ccccc1)CC(O)CCl	645
+c1cc(ccc1CN2CC(OCC2)C(C)C)Br	646
+c1cc(ccc1Oc2cccc(CN3CCN(CC3)C(=O)Nc4noc5c4cccc5)c2)Cl	647
+c1ccn(c1)-c2c(CN3CCC(CC3)Nc4nc(NCCCN(C)C)nc5ccccc45)cccc2	647
+FC(F)(F)c1nnc(N(C)C2CCN(CC2)Cc3ccc(cc3)F)s1	648
+FC(F)(F)CN1CCN(Cc2cccc(F)c2F)CC(NC(=O)OC(C)(C)C)C1=O	649
+CC(C)(C)OC(N(C1CN(CC1)Cc2ccc(cc2)OC)c3ncc(C=CC(=O)OCC)cc3)=O	650
+FC(F)(F)c1ccc(cc1)CN2CCC(CC2)Nc3ccc(C#N)nn3	650
+FC(F)(F)c1cc(CN2CCN(CC2)C)cc([N+](=O)[O-])c1	651
+c1cc(ccc1-c2ccc(cc2)NC(C=Cc3ccc(cc3)CN4CCC(CC4)C)=O)Cl	652
+CC(C)(C)OC(Nc1cc(C)cc(CN2CCN(CC2)C(C)=O)c1)=O	653
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(-c4ccc(cc4)CN5CC(C5)C(O)=O)n3	653
+C1CN(CCN1Cc2c(ccc([N+](=O)[O-])c2)F)C	654
+CC(C)(C)OC(=O)N1CCN(CC1C)Cc2c(cc([N+](=O)[O-])cc2)Cl	654
+FC(F)(F)c1n2nc(N3CCN(CC3)Cc4cc(Cl)ccc4)ccc2nn1	655
+FC(F)(F)c1ccc(Oc2cccc(CC(O)=O)c2)c(c1)CN(S(=O)(=O)c3ccc(cc3)Cl)C	656
+C1COCCN1c2c3c(cc(s3)CN4CCN(CC4)C)nc(Cl)n2	657
+CC(C)(C)OC(=O)N(C)Cc1cc([nH]c1)-c2ccccc2F	658
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cc3nc(-c4c(cccc4)[N+](=O)[O-])sc3nc2	659
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(c3s2)Oc4ccc([N+]([O-])=O)cc4F)cc1)CCOC	660
+C1CN(CCN1c2ncc(cc2)C(OCC)=O)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3	661
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc(cc2-c3ccc(cc3)Cl)F	662
+C1CC(CCN1Cc2cnccc2)n3ncc4c(nc(nc34)Cl)N5CC(C)OC(C)C5	663
+CCN(N)C(Nc1sc(C)nn1)=O	664
+O=S(=O)(N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O)C	665
+C1CN(CCC1Oc2cc(C)c(c(C)c2)-c3cc(ccc3)COc4cc5OCC(CC(OC)=O)c5cc4)S(=O)(=O)C	666
+O=S(=O)(N1CCC(CC1)COc2c3ccccc3nc(c2)C)CCC4C(NC(N4)=O)=O	667
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(C(C)CN4CCN(CC4)S(=O)(=O)c5nn(cc5)C)nc3)ncnc12	668
+O=S(=O)(N1CC(CNC(C(CC(C)C)NC(c2cc3ccccc3s2)=O)=O)C(O)C1)c4ccc(cc4Cl)F	669
+FC(F)(F)Cc1ccc(cc1)N2C(=O)C3(CCN(CC3O)S(=O)(=O)c4c(Cl)cccc4)CC2	670
+c1cc(ccc1C(NCc2sc(cc2)S(=O)(=O)N3CCC(CC3)=O)=O)Cl	671
+c1cc(ccc1F)-n2c3C=C4C(Cc3cn2)(COCC)CN(CC4)S(=O)(=O)c5ccc(Cl)nc5	672
+c1cc(ccc1-c2ccc(cc2)C#N)N3C4C(CN(C(OCc5ccccc5)=O)C4)CC3	673
+c1cc(ccc1N2CCC(CC2)C(=O)N(OC)C)Cl	674
+CC(C)(C)OC(N1CCCC2C1CN(C2)c3c(cc4C(=O)C(=CN(C5C(F)C5)c4c3Cl)C(O)=O)F)=O	675
+c1ccccc1-c2nnc(N3CC4CCC(C3)N4C)cc2	676
+C1CC(CCN1c2c(cc3C(C(=CN(c3n2)C4CC4)C(O)=O)=O)F)Nc5ccc(N6C(=O)OC(CNC(C)=O)C6)cc5F	677
+C1C(CN1c2ccc3c(cc(cc3)F)n2)c4c(-c5cc(c(cc5)C(NC)=O)F)nccn4	678
+C1CC(CCN1c2ncccc2Br)Nc3ccc(cc3)F	679
+FC(F)(F)c1ccnc(N2C3C(C(O)(c4ccccc4)CC2)CCCC3)c1	680
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccccc2N(S(=O)(=O)C)C	681
+c1nc(ncc1F)N2CCN3C(CCC(C3)Cn4ccc5c4ccc(F)c5)C2	682
+c1cc(ccc1)C(C(OC)=O)C2CCN(CC2)c3ncccn3	683
+C1CC(CCN1c2ncncc2)C(N3CCN(CC3)Cc4ccccc4)=O	684
+C1C2CN(CC2CN1c3cc(N(C)C)ncn3)C(=O)c4c(cc(OC)cc4)-n5nccn5	685
+C1CN(CCN1c2ncnc3c2C(C)CC3O)C(N(Cc4ccc(cc4)Cl)CCN(CC)CC)=O	686
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(cc(c(c2OC)N)Cl)F	687
+CC(C)N1c2cccc(c2NC1=O)F	688
+CCN1C(Nc2ccccc12)=O	689
+c1cc(ccc1OC)CN2C(c3c(cccc3C2)I)=O	690
+C1(=O)N(CC)NCN1c2sc(C)nn2	691
+C1(=O)N(CC)NCN1c2sc(C)nn2	692
+CC(C)(C)OC(NC(c1ncc(F)cc1F)C)=O	693
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(C3(C(C)C)CC(CC3)NC4C(COCC4)C)=O	694
+C1CCCC1NCCNC2CCC(CC2)CC(=O)NC3Cc4c(c(C(O)=O)ccc4)OB3O	695
+c1ccccc1COC(NC2CCN(C3CCC(NC(C)C)CC3NC(C)=O)C2=O)=O	695
+C1CC(CCN1c2ccc(cc2)C(=O)O)NCC(O)c3cc(NS(=O)(=O)C)c(O)cc3	696
+c1cc(ccc1CCC(NCCc2cc(OC)cc(OC)c2)=O)F	697
+c1cc(ccc1C(C)CNC(C)=O)C#Cc2ccc(cc2)OCCC	698
+c1cc(ccc1Br)C(CC(NC)=O)c2ccc(cc2)Cl	699
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)(NCc4ccccc4)C(=O)NC(C)C	700
+c1cc(ccc1F)Cc2cnc3c(c2)N(C(C(C(=O)NCCOCC)=C3O)=O)CCNC(C)=O	701
+S(c1c(C(=O)NC)cc(cc1)C)c2csc3ccccc23	702
+c1cc(ccc1)COc2cc(c(Br)cc2C(=O)NCCCOC)OCc3ccccc3	703
+C(NCCCSc1ncco1)(NCC)=C[N+]([O-])=O	704
+c12c(C(=O)N(C1=O)CCN3C(=O)C(C(NCCOCC)=O)=C(O)c4c3cc(cn4)Cc5ccc(cc5)F)cccc2	705
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3CCCC(c4ccccc34)NC(CN(C)C)=O	706
+FC(F)(F)c1ccc(c(Cl)n1)C=CC(NCc2cc(F)c(cc2)NS(=O)(=O)C)=O	707
+C1CC(CCC1NC(C2CC2)=O)Oc3ccc(cc3)C(OCC)=O	708
+c1ccccc1C(C(NC(c2ccc(cc2)OCC(C)CCC)CN=[N+]=[N-])=O)C	709
+c1ccccc1CC(NC(=O)Cc2c3c(ccc(O)c3)[nH]c2)c4n(Cc5ccccc5OC)ccn4	709
+ClC1(Cl)C(C(NCC)=O)(C)C1	710
+FC(F)(F)COc1cnc(C(C)NC(Cc2ccc(cc2)-c3c(C4CC4)nccn3)=O)cc1	711
+CC(C)CCNC(CN1C=CC=C(C1=O)NC(=O)OCc2ccccc2)=O	712
+CC(C)(C)NC(=O)C1(CCC1)c2cc3c(nc(nc3C(N4Cc5ccccc5C4)=O)N)cc2	713
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(c3ccc(c(c3)F)CNS(=O)(=O)C)C	713
+N(C)C(CC1N(C(=O)c2cc3NC(=O)COc3cc2)c4ccc(cc4OC1)Br)=O	713
+c1c(F)c(c(cc1)F)Cc2c(N(CC(=O)NCC)S(=O)(=O)c3cc(OC)c(OC)cc3)c(OC)ccc2	713
+c1cc(ccc1S(=O)(=O)Nc2ccccc2Oc3ccc(Cl)cc3Cl)C(NCC(NCCCCC(N)C(OC)=O)=O)=O	713
+CC(C)C(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	714
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3c4ccccc4C(NC(=O)CCl)CCC3	715
+c1cc(ccc1)COC(=O)NC(CCCCCC(NC)=O)c2oc(cn2)-c3cc4c(cccc4)nc3OC	716
+C(N(C)c1n[nH]c2ccc([N+]([O-])=O)cc12)C(NC)=O	717
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C	717
+C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O	718
+C1CC(CCC1O)Nc2nc3c(c(ccc3cn2)C)OCC(=O)NC	719
+CC(C)(C)C1CCC(CC1)C(NC(CC)c2nnc(-c3cc(ccc3)[N+](=O)[O-])nc2O)=O	720
+C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O	721
+c1cc(ccc1-n2c(nc3c2ncnc3NC4CCCN(C(NCC)=O)C4)-c5c(cccc5)Cl)Cl	722
+CC1CN(CC(C)O1)CCNC(=O)Nc2nc3c(cc(cc3)SC#N)s2	723
+FC(F)(F)c1nc(c(cc1)CNC(Nc2cc3CCCc3nc2)=O)N4CCC(CC4)C	724
+c1cc(ccc1F)-c2c3c(ncnc3sc2)OCCCOc4cc(ccc4)NC(=O)NCC	725
+c1(NC(NCCCCC)=O)cc2C(=O)N(Cc3ccc(c(c3)Cl)Cl)C=Nc2cc1	726
+c1(cc2c(ccc(c2)NC(NCC)=O)nc1O)C(=O)O	726
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(=O)OC	727
+CC(C)(C)OC(=O)NC(c1cccc(c1)[N+](=O)[O-])C	728
+CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O	728
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	729
+c1cc(ccc1)COC(=O)NC(c2ccccc2OC)CCC=C	729
+C1CCCCCN1CCN2CCC(CC2)NC(c3[nH]c4cccc(OCc5cocc5)c4c3)=O	730
+CC(C)(C)NC(c1cc2c([nH]1)ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)=O	731
+Cc1cc(cc(C)c1O)CNC(c2sc(c3c2CC4C(C)(C)C34)C)=O	732
+O(c1ccn2c(c1)nc(C)c2C(=O)NC)C	733
+C1CC(CCO1)CC(C(Nc2sc(C(=O)NC)cn2)=O)c3ccc(cc3)S(=O)(=O)C	734
+C1CN(CCC1NC(=O)c2cc(-c3sccc3)on2)CCSc4nc5cc(ccc5nc4)OC	735
+CC(C)(C)C(NC(c1nn(c2C3CC3Cc12)-c4cc(Br)ccn4)=O)CO	736
+[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12	737
+CC(C)C1C2C3C(C1CC2)CCCC3NC(=O)c4c(F)n(nc4C(F)F)C	738
+FC(F)(F)C(CC(C)(C)c1c(OC)ccc(F)c1)(CNC(=O)c2cnn(c2N)-c3ccc(cc3F)F)O	739
+FC(F)(F)c1cc(n(n1)-c2c(cccn2)Cl)C(Nc3c(C(=O)NC)cc4c(nsn4)c3Cl)=O	740
+c1ccccc1CC(NC(=O)c2cccnc2-n3cc4ccccc4n3)C(O)C(=O)OCC	741
+[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12	742
+C1CN(CCN1c2ccc(C(NC)=O)cn2)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3	743
+C1CN(CCO1)Cc2ccn(-c3c(C(=O)NC(Cc4ccccc4)C(C(=O)N)O)cccn3)n2	743
+CC(C)(c1ccc(cc1)CNC(=O)c2c(Oc3ccc4nsnc4c3)nccc2)O	743
+c1cc(ccc1)C(CC)NC(c2c3n(cc2)CCOC3)=O	743
+O=C(NC1c2c(cccn2)C(N=[N+]=[N-])C(c3c(c(ccc3)F)F)CC1)c4cnc5c(c4)CC6(c7cccnc7NC6=O)C5	744
+FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(Oc3cc(cnc3N)C(NC)=O)C2)=O	745
+FC(F)(F)C1(c2c(N(C(=O)N1)Cc3ccc(cc3)OC)ccc(c2)Br)CNC(c4ccc(cc4)F)=O	746
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(Cl)cc(cc2)Cl)=O)N3CCOCC3	747
+c1cc(ccc1C#CCc2ccc3C(C)(C)CCC(C)(C)c3c2)C(=O)NCC	748
+c1cc(ccc1CCCCOCCCCBr)C(NCc2c(CC)nc3n(ncc3c2NC4CCN(CC4)C(=O)N)CC)=O	748
+c1ccccc1C(c2ccc(cc2)C(=O)NCCCCCCCCCCC(O)=O)=O	748
+CC(C)(C)OC(=O)COc1c(Cl)ccc(c1)C(NCC(O)CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3C)=O	749
+Cc1nc(C(N2CC3C(C2CNC(=O)c4c5C=CCOc5ccc4)C3)=O)c(s1)-c6cccc(c6)C	749
+c1c(cc(cc1)OC)CCNC(c2cc(cc(c2)-c3ccccc3OC)-n4nnnc4)=O	749
+c1cc(ccc1C)-c2cc(cc(-n3nnnc3C)c2)C(=O)NC(COC)C	749
+CC(C)(C)OC(=O)N(C)C(CNC(=O)c1cccc(C(OCCNC(OC)=O)c2cc(Cl)ccc2)c1)CC3CCCOC3	750
+CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12	750
+C1CC(CCN1C(=O)OCC)NC(=O)c2c(Oc3c(cc(Cl)cc3)Cl)cccc2	751
+c12ccc(cc1n[nH]c2)C(NC)=O	751
+CC(C)(C)OC(N1CC(CNC(=O)c2ccccc2)CC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C1)=O	752
+CC(C)(C)OC(N1CCc2n(CCNC(=O)c3ccccc3)c4ccccc4c2CC1)=O	752
+c1cc(ccc1CCCCOCCCCBr)C(NCc2c(CC)nc3n(ncc3c2NC4CCN(CC4)C(=O)N)CC)=O	752
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	753
+CC(C)(C)OC(=O)NCC(c1cc(cc(Br)c1)F)NC(c2c(F)cc(-c3c(ncc(C4CCOCC4)n3)N)cc2)=O	753
+CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1	753
+CC(C)(C)OC(N(c1ccc(cc1)C2CCCCC2)Cc3ccc(cc3)C(=O)NCC(C(=O)OC)O)=O	753
+O=C(n1ccc2cc(Oc3ncnc(N)c3)ccc12)NC	754
+o1c(-c2csc(c2)Cl)cc(C3CC4CC4N3C(=S)NC)n1	755
+c1cc(ccc1C2CC(CNCCO)CCC2)Cl	756
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F	757
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br	758
+c1ccccc1C(c2ccccc2)N3CC(C3)(NCc4ccccc4)CNC(C)C	758
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br	759
+c1ccccc1C(c2cc(OC)cc3c2cc[nH]3)CCNC	759
+C1CC(CCN1c2ccccc2OC)CNCC3COc4ccccc4O3	760
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F	760
+C(CC(NCCC)CC(=O)N)CCCCCCCCCCC	761
+C1CCCCC1C2(COC2)CNC	762
+C1CN(CCC12CC(C(C2)NCc3nc4c(SCC(N4)=O)cc3)O)c5ccnc6ccc(nc56)OC	763
+O=S(=O)(n1cc(c(F)c1-c2ccccc2)CNC)c3cnccc3	764
+FC(F)(F)c1cc(ccc1CNC2CCN(CC2)c3c4c(cccc4)c(nn3)-c5ccnn5C)F	765
+O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCNCc1ccccc1	766
+c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1	767
+c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1	768
+c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2	769
+c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2	770
+c1cc(ccc1CNC)C(=O)c2ccccc2	771
+c1ccccc1SC(CNC=O)c2c3ccccc3ccc2OC	772
+c1cc(ccc1)C(C(c2cccc3ccccc23)O)CNC	773
+FC(F)(F)c1cc(n(n1)C)Oc2cccc(CNC)n2	774
+c1cc(ccc1)CN2CC(NC)C(c3cc(c(Cl)cc3)Cl)C2	775
+c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC	776
+C1CNCCC1=C(c2cccnc2)c3ccc(cc3)F	777
+c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC	778
+C1CCCC1N2C(CC)C(=O)N(C)c3cnc(nc23)-c4c(cncc4)CNS(=O)(=O)C	779
+C1CCCCC1S(=O)(=O)NCCc2cc(cc(CCC(OCC)=O)c2)Cc3cccnc3	780
+c1cc(ccc1)CS(=O)(=O)NC2CCC(CC2)c3nc(c([nH]3)-c4cc5OCOc5cc4)-c6nc(ccc6)C	781
+O=S(=O)(c1cccc(-c2nc(nc(NCCc3ccc(cc3)OC)c2)OC)c1)NCC	782
+CC1(C)C(N(c2ccc(OCCCNS(=O)(=O)c3ccccc3[N+]([O-])=O)cc2N(C)C1=O)CC)=O	783
+O=S(=O)(c1ccc(cc1)O)NCC(N2CCN(CC2)C(OCc3ccccc3)=O)C(OC)=O	784
+FC(F)(CNc1ccc(C#N)c(c1F)CC(=O)OCC)c2ccc(cn2)C	785
+c1cc(ccc1-c2cnnc(NCCO)c2)F	786
+Clc1ccc(c(Cl)c1)-c2c(c(NC(CCC)C)ncc2)[N+]([O-])=O	787
+n1c(-c2ncccc2)c(cc3ccsc13)C(C)Nc4c5[nH]cnc5ncn4	788
+CCNc1c(C#N)c(O)nc(C)c1	789
+CC(C)c1nc(O)c(c(NCC)c1)[N+](=O)[O-]	790
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nc(C)no4)c2-c5ncccc5)F	791
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nnc(o4)C)c2-c5ncccc5)F	791
+C1CC(CCC1C(=O)OCC)Nc2nccc(-n3ccc4c3cccc4Br)n2	792
+C1CC1c2cc([nH]n2)Nc3c(Cl)cnc(NC(c4ccc(F)cn4)C)n3	793
+FC(F)(F)Cc1sc2ncnc(NCC3CCN(CC3)C(=O)OC(C)(C)C)c2c1	794
+C1CC(CCN1Cc2ccc(OC)c(OCC)c2)Nc3nc(nc(c3)C)N	795
+FC(F)(F)C(C1CCC(CC1)Nc2ncnc(c2Cl)CC)O	796
+c1ccccc1-c2c(nc(SC)nc2)NC	797
+CC(C)(C)OC(Nc1c2c(ncn1)n(-c3ccc(cc3)NC)nc2I)=O	798
+O=C(NNc1ccc(cn1)F)N2C(C)CCCC2	799
+c1(C(=O)NCC2N(CC2)C(=O)CO)cc(F)c(nc1NCCc3cccc(F)c3)-c4cnn(C)c4	800
+FC(F)(F)c1ccc(cc1)-c2nnc(N3CCN(C(C)C3)C(N4CCC(CC4)(F)F)=O)c5c2ccnc5	801
+FC(F)(F)c1ccc(cc1)NC(N2CCCC2c3c(Cc4ccc(cc4)Cl)c(C)no3)=O	802
+FC(F)(F)C(=O)NCC1N(C(c2c(sc(N)n2)-c3cc(F)ccc3)=O)C4CCC1C4	803
+c1cc(ccc1-c2ccc(cc2)C3C(CCN4C(C)CCC4)C3)C#N	804
+C1(N(CCOC1)Cc2cc(c(Br)cc2F)F)C	805
+CC1(C)COCC(C)(C)N1N	806
+CC1(C)N(N)CCN(C1)S(=O)(=O)C	807
+CC(C)(C)OC(=O)N(C(C)C(NC(C(=O)N1CCC2N(CC(C(=O)OC)C12)S(=O)(=O)C)C3CCCCC3)=O)C	808
+C1C2CC3CC1CC(C2)(C3)NC(N4CC5(C4)CCN5S(=O)(=O)c6ccc(cc6)Cl)=O	809
+FC(F)C1(c2cccc(c2F)F)COCC(=N1)N	810
+C1CN(CCN1c2ccc(cc2F)C(C)OC)C(=O)c3cc(S(=O)(=O)C)ccc3N4CCCCC4	811
+O1CCOC12CCC(CC2)(OC)c3c(Cl)cccn3	812
+c1ccccc1CC(C(OC)=O)O	813
+c1cc(ccc1F)C(c2ccc(cc2)F)(CCCBr)C(OCC)=O	814
+C(OCCOCC=CCBr)COCCOCCC(=O)OC	815
+c1ccccc1COc2ccc3n(ccc3c2)CCC(OC)=O	816
+c1cc(ccc1N2CCN(CC2)C(OCCN(C)C)=O)[N+]([O-])=O	817
+FC(F)(F)C(C)OC(N1CCC(CC1)C2(Oc3cnc(cc3C2)-c4ccc(cc4)S(=O)(=O)C)C)=O	818
+c1cc(ccc1-c2nocc2NC(=O)OC(c3c(cccc3)Cl)C)CCCl	819
+CC1(C)CCSc2ccc(cc12)C#Cc3ncc(cc3)C(=O)OCC	820
+C(C)C(CC)CC(OC(c1ccc(cc1)OC(=O)C)=O)C	821
+S1c2cccc(c2C(c3c1ccc(C)c3)=O)C(=O)OCCCCCCCCCCCC	821
+c1(nccc(c1)C(=O)OC)N2NC=C(c3cnccc3)C2=O	822
+C1CCC(C1)C2N(c3ccc(C#N)c(Cl)c3)N=C4C2CCc5cc(C(OCCCCCCC)=O)ccc45	823
+C1(=O)c2ccc(cc2Sc3ccc(cc13)C)C(=O)OC	824
+C1COC(O1)(C=CC2C3C(OC(=O)C3)CC2OC4OCCCC4)COc5cc6c(cccc6)cc5	825
+c1cc(ccc1CCCOC)Cl	826
+O(CCc1cc([N+]([O-])=O)ccc1Br)C	827
+CN(C)c1cc(COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4)ccc1	828
+CC(C)(C)OC(N1CCCC(Cc2c(F)cccc2)(C1)COC)=O	829
+C(OCc1ncccc1)c2cc(ccc2)-n3cnc(C(=O)OCC)c3	830
+c1ccccc1COC(N(C)CC(=O)N(C)c2ccc(cc2)COC)=O	831
+c1(cc(cc(C)c1[N+](=O)[O-])COCC)C	832
+c1ccccc1C(c2ccc(cc2)COCCN(CC)c3ccccc3)=O	833
+c1cc(ccc1N(C)CCOC)C(OCC)=O	834
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(CC(CC2)OS(=O)(=O)C)F	835
+CC(C)C(C(C)C)(OOC(CN=[N+]=[N-])COS(=O)(=O)C)P(O)(O)=O	835
+CC(C)(OC1OCCCC1)c2c(cccc2)CCC(c3cc(ccc3)C=Cc4nc5c(ccc(Cl)c5)cc4)OS(=O)(=O)C	836
+O=S(=O)(OCCc1ccc(cc1)CCCCCCCC)C	837
+c1cc(ccc1NC(=O)C)CCCCOS(=O)(=O)c2ccc(cc2)C	838
+CC(C)(C)c1c(cc([N+](=O)[O-])cc1)OC	839
+C(CCN(C)c1c(cnc(Cl)n1)F)Oc2cc3c(n(CC(OC)=O)cc3)cc2	840
+C1CC(CCC1C2CCC(CC2)COc3cccc(F)c3F)C=C	841
+c12c(cccc1)ccc(c2)OCCCCCCCCCl	841
+CC(C)N1N=C(Br)c2ccc(OC)cc2C1=O	842
+CC(C)N1N=C(Br)c2ccc(OC)cc2C1=O	843
+FC(F)(F)Cn1nc(c(c1)-c2ccncc2)-c3ccc(cc3)OCc4nc5c(cccc5)n4CF	844
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc3CC4(CCN(CC4)Cc5ccccc5)Cc3c2)=O	845
+C1CC(CCN1C(C)C)Oc2nc3CCN(Cc3cc2)Cc4ccccc4	846
+FC(F)(F)C(Oc1nncc2cc(Br)ccc12)C	847
+c1(-c2cc(cc(-c3ncccc3)n2)OCC)ncccc1	848
+c12c3c(ccc1cccn2)c(cc(C)n3)OCC	848
+c1cc(ccc1-c2ccc3c(c(OCC)ncn3)c2)F	849
+C(C1CC1c2ncc(OC)cc2)Oc3nc(C)ncc3Br	850
+c1cc(ccc1)CN2CC(OCC2)C3(OCCO3)C	851
+O=S(=O)(C)OCCC1(C(=O)N2CC=CC(C(OC)=O)N2C1=O)C	852
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)C)CC1C(=O)OC	853
+CC(C)(C)OC(N1CC(c2ccccc2)CC1COS(=O)(=O)C)=O	854
+FC(F)(F)c1cccc(N2C(c3c(non3)NCCOS(=O)(=O)C)=NOC2=O)c1	854
+CC(C)(C)OC(=O)C(C(CCc1ccc(cc1)I)OCc2ccc(cc2)OC)CCOS(=O)(=O)C	855
+O=S(=O)(OCCN1C(c2cc(Br)sc2C1(C)C)=O)C	855
+O=S(=O)(OCCOCCCCCCN1CC(OC1=O)c2cc3c(cc2)OC(C)(C)OC3)C	855
+O=S(=O)(C)OCCCn1cnc2ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)cc12	856
+O=S(=O)(OCCC1n2cc(I)cc2C(=O)NC1)C	857
+c1(cc(cc(F)c1)C(C2CCN(CC2)S(=O)(=O)C)CC(OC(C)C)=O)F	858
+c1cc(ccc1F)C(NC2CCN(CC2)S(=O)(=O)C)=O	859
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(ccc(F)c2Cl)F)=O)C3CCCCN3C	860
+FC(F)(F)COc1ccc(cc1)N2CCN(CC2)S(=O)(=O)C	861
+CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCN(CC3)S(=O)(=O)CC)cn2)c4ccccc14	862
+O=S(=O)(CC)N1CC=C(c2nc(c(N)nc2)-c3noc(n3)-c4ccccc4)CC1	863
+CC(C)(C)OC(NC1CCc2c(cc(cc2)CNS(=O)(=O)CCC)C1Cc3ccccc3)=O	864
+O=S(=O)(CC)Nc1c(F)c(C(=O)c2c[nH]c3ncncc23)ccc1	865
+c1ccccc1P(c2ccccc2)(=O)c3ccc4c(cccc4)c3-c5c6c(ccc5NS(=O)(=O)C)cccc6	866
+C1CC1(CC=C)S(=O)(=O)Nc2c(c(F)c(cc2)F)Nc3c(cc(I)cc3)F	867
+O=S(=O)(C)OCCOc1ccc(-c2ccccc2F)nc1	868
+C1CCCCC1C(c2n(-c3ccc(cc3)Cl)nc4CCCc24)COS(=O)(=O)C	869
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COS(=O)(=O)C)=O	870
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COS(=O)(=O)C)=O	871
+FC(F)(F)c1cc(c(COS(=O)(=O)C)cc1)Oc2cc(C#N)ccc2	872
+O=S(=O)(C)OCCOc1ccc2c(ccnc2c1)-c3c4n(nc3-c5ccccn5)CCC4	873
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(CSC)C3CCCCC3	874
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(CSC)C3CCCCC3	875
+c1cc(ccc1O)CSCCC(=O)OCC	876
+CC(C)(C)[Si](C)(C)OCCOCc1nccs1	877
+CC(C)(C)[Si](C)(C)OCCCc1ncsc1	878
+CC(C)(C)[Si](C)(C)OCc1[nH]c2ncccc2c1	879
+CC(C)(C)[Si](C)(C)OCc1cc(Cl)ncc1	880
+CC(C)(C)[Si](C)(C)OCCOCc1nccs1	881
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)Cc2c(sc(c2)Br)Cl	882
+CC(C)[Si](C(C)C)(C(C)C)OC1=CCC(CC1)c2c(cc(c(F)c2)F)F	883
+CC(C)[Si](C(C)C)(C(C)C)OCC(COCc1ccc(cc1)Br)C	884
+CC(C)[Si](C(C)C)(C(C)C)OCC1(CCCCC1)N	885
+c1cc(ccc1Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O)C#N	886
+c1(ccc2Cc3c(-c2c1)n(C)c4ccccc34)OC	887
+CC(C)=CCCc1cc(n[nH]1)C(OCC)=O	888
+c1cc(ccc1CCc2cc(C(OCC)=O)[nH]n2)OC	889
+c1cccc(c1-c2noc(c2)CO)F	890
+c1cc(ccc1-c2noc(C(C)O)c2)F	891
+c1cc(ccc1)C(c2ccccc2)n3c4ccc(Cl)cc4cc3CCNS(=O)(=O)Cc5cc(c(cc5)Cl)Cl	892
+CC(C)(C)OC(=O)N(CCCc1cc2cc(ccc2[nH]1)C(Nc3ccc(c(OC)c3)OC)=O)C	893
+FC(F)(F)c1c(cc2cc([nH]c2c1)C(CSCC)(C)O)C#N	894
+CC(C)c1cc(Cl)nc(-c2ccc(cc2)Cl)n1	895
+c12[nH]c(C)cc1cc(cn2)F	896
+c1cc(ccc1S(=O)(=O)OCC(C)(C)CS(=O)(=O)N)C	897
+c1cc(ccc1S(=O)(=O)OCC(F)(F)c2ncccc2)C	898
+CC(C)(CCCOS(=O)(=O)c1ccc(cc1)C)NC(=O)OCc2ccc(cc2)[N+]([O-])=O	899
+CC(C)c1ccc2nc(cn2n1)C	900
+CC(C)c1ccc2nc(cn2n1)C	901
+c1cc(ccc1F)Oc2ccc(cc2)CCNc3ncc(c(O)n3)Cc4cnc(nc4)OC	902
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(cc3Oc4ccccc4)Br)sc2	903
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(cc3Oc4ccccc4)Br)sc2	904
+ClC(Cl)(Cl)c1onc(Cc2ccccc2)n1	905
+c1ccccc1-c2nc3cc(ccc3cc2)-c4nc(n5ccnc(Cl)c45)C	906
+FC(F)(F)c1cc(-c2[nH]c(C3CCC(CC3)CNC(OCc4ccccc4)=O)nc2)ccc1	907
+c1cc(ccc1)-c2csc(CC3(CCC3)COCc4ccccc4)n2	908
+CC(C)(C)OC(=O)NC(C(c1onc(-c2c(Cl)cc(cc2)NS(=O)(=O)C)n1)C)C(=O)N3CCCC3	909
+c1(-c2noc(n2)C)cc(N)c(C)cc1	910
+CC(C)(C)c1cc(cc2c1OCC2(C)C)-c3noc(C)n3	911
+[nH]1c(CCCCCCC(OC)=O)nc2cc(ccc12)Br	912
+c1cc(ccc1)COC2CC(C2)c3[nH]c4c(cccc4)n3	913
+CC(C)(C)OC(N1C2C(C2)CC1c3[nH]c4c(n3)ccc5cc(ccc45)Br)=O	914
+C1CCC(C1)Oc2cc(ccc2OC)Cc3nc4cccc(c4o3)[N+](=O)[O-]	915
+c1(nc2c(c(Cl)c1)cc(cc2)Br)C	916
+FC(F)(F)c1c(-c2cc3c(cc2)c(nc(C)n3)O)nccc1	917
+c1cc2c(c(Cl)cc(n2)C)cc1I	918
+c1ccccc1C(CCCCCn2c3c4ccccc4ncc3nc2CCCC)=O	919
+c1ccccc1OCCn2c(CCCC)nc3cnc4c(cccc4)c23	919
+CC(C)(C)OC(=O)NCCCCn1c2c3c(cc(cc3)OCc4ccccc4)ncc2nc1CCOC	920
+c1cc(ccc1)Oc2nc(c(C)c3n(CCOCCCc4sccn4)c(nc23)COCC)C	920
+c1ccccc1COc2ccc3c(ncc4nc(n(CC(C)(C)NS(=O)(=O)C)c34)COCC)c2	921
+C1CC(CCC1Cc2cc(N)n3nccc3n2)C(OCC)=O	922
+CCCCc1cc(n2c(ccn2)n1)NC	923
+c1(F)cccc(F)c1-c2c(N)n(nc2C)C	924
+c1cc(ccc1F)-c2c(Br)c(nn2C)C	925
+FC(F)(F)C(NCCc1cccc(c1)-n2c(N)cc(C(C)(C)C)n2)=O	926
+O=S(=O)(C)C1CN(c2cc(C)nn2-c3cc(Cl)ncc3)C(C1)C(=O)OC	927
+FC(F)(F)C(c1ccc(cc1)-n2c(N)cc(n2)C)O	928
+n1c2CCNc3c(c(F)ccc3)-n2c(C)n1	929
+n1c2CCc3c(c(F)cc(Br)c3)-n2c(C)n1	930
+CC(C)(C)OC(=O)NCCc1oc(C)nn1	931
+FC(F)(F)C(c1nnc(N)o1)(O)C	932
+C(c1nnc(N)o1)CCCCCCCCCCCC	933
+C(C)(Oc1c(Cl)cccc1)c2nnc(N=C=O)s2	934
+CC(C)(C)Cc1nnc(-c2ccc(cc2)[N+](=O)[O-])o1	935
+c1cc(ccc1C#N)-c2nnc(C(Nc3c4c(cccc4)c(C#N)cc3)C(C)O)o2	936
+CC(C)(C)OC(NC(C)c1c(c(c2c(ccc(c2)F)n1)-c3nnc(C)o3)-c4ncccc4)=O	937
+FC(F)(F)c1ncc(cc1)Cc2n3c(nn2)cc(c(Br)c3)-c4ccc(cc4)Cl	938
+c1cc(ccc1CN2C(c3c(ccc(Cc4nnc5ccc(-c6cccnc6)nn45)c3)N=C2)=O)OC	939
+c12c(Cl)nc3c(n1c(CC)nn2)cccc3	940
+c1cc(ccc1)Cn2nnnc2C3CCCN3C(=O)OCc4ccccc4	941
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)-c2cc(Cl)ccc2)c3n(nnn3)CCC#N	942
+C1CC1c2c(cc(c(F)c2)[N+]([O-])=O)-n3c(nnn3)C(C)C	943
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)c2[nH]nnn2	944
+CC(C)(C)OC(=O)NC(c1[nH]nnn1)Cc2ccc(cc2)-c3cc(Cl)ccc3	945
+c1cc(ccc1S(=O)(=O)N2C(c3ccc(cc3)F)CCC2c4nnn[nH]4)C	946
+CC(C)(C)OC(=O)NC(c1[nH]nnn1)Cc2ccc(cc2)-c3cc(Cl)ccc3	947
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(COCc3ccccc3)on2	948
+C1CN(CCC12CC3(C2)Cc4cc(C=5CCN(S(=O)(=O)C)CC=5)ncc4O3)c6nc(no6)CCC	949
+CC(C)(C)C(=O)NCc1c(F)c(c(cc1)F)Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(OCC(F)F)cc3n2C	950
+CC(C)(C)C(=O)NCc1c(F)c(c(cc1)F)Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(OCC(F)F)cc3n2C	951
+C1CC1C(=O)N2CCC(Cn3c(-c4ccc(cc4)Br)nc5c3cc(F)cc5)C2	952
+n1(CCO)cnc2cccc(Br)c12	953
+c1c(cc2n(cnc2c1)Cc3cncc(F)c3)Br	954
+CC(C)(C)OC(N1CCC(CC1)n2cnc3cnccc23)=O	955
+c1cc(ccc1OC)Cn2cnc3cnc(cc23)Br	956
+CCCn1cncc1CO	957
+CC(C)(C)OC(=O)N1CC(C1)n2c(ccn2)-c3c(ccc(c3)Cl)O	958
+CC(C)(C)c1cc2OC3(CCCCCC3)Cc2c(c1O)CC(=C)C	959
+O=S(=O)(NC1=C2OCCN2C(C(C)=C1Nc3c(F)cc(I)cc3)=O)C4CCC4	960
+c1cc(ccc1Sc2c(C(O)C=C)c(F)ccc2)F	961
+c1cc(ccc1Sc2c(C(O)C=C)c(F)ccc2)F	962
+C1CC1c2c(C)n3c(ccc(c3)N4C=CC(OCc5ccc(F)cc5F)=CC4=O)n2	963
+c1cc(ccc1CC=2C(N(c3n(ncn3)C=2CCC)C4CCC(CC4)OCC(C=C)=O)=O)-c5ccccc5C#N	964
+c1cc(ccc1Oc2ccccc2)-c3c(c(nn3C4CCCN(C(=O)C=C)C4)N)C(N)=O	965
+CC(C)(C)OC(Nc1cc(ccc1C=CC(N2CCN(CC2)Cc3ccc(cc3)F)=O)Cl)=O	966
+CN(C)c1ccccc1CN2CC(CC2)Nc3cnc(C=CC(NOC4CCCCO4)=O)cn3	967
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC(=O)C=C	968
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(c2c(F)c1)Oc4cccc(NC(C=C)=O)c4	968
+C(COC)Oc1ccc(Nc2nc(c(F)cn2)Nc3cccc(c3)NC(=O)C=C)cc1O	969
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCN(CC3)CCC4=C(N=C5N(C(=CS5)C)C4=O)C	970
+FC(F)(F)C(N1C(Cc2cc(c(cc2C(C)C1)Br)OCC=C)C)=O	971
+c1cc(c2c(c(C)co2)c1OCC=C)C(=O)c3sccc3	971
+C(c1c(c(C(=O)OC)ccc1Cl)O)C=C	972
+c1cc(ccc1CCc2oc3c(c(c(cc3)CC=C)O)c2C)OC	972
+CC(C)(C)OC(CC(=O)CC(O)C=CC(=C(c1ccc(cc1F)C)c2ccc(cc2F)C)c3n(C)nnn3)=O	973
+c1cc(ccc1C2C(C=C)C2)Br	974
+O=S(=O)(NCCOc1ccnc(Oc2c(cc(Cl)c(c2)Cl)I)c1)C=C	975
+O=S(=O)(NCCOc1ccnc(Oc2c(cc(Cl)c(c2)Cl)I)c1)C=C	976
+c12c(cc(C=C)c(c1)OC)cc(cc2)Br	977
+c1ccccc1C(CCN2CCC(CC2)CCCc3ccccc3)Cl	978
+c1cccc2C=Cc3ccccc3C(c12)Cl	979
+c1ccccc1C(CCl)CN2CCOCC2	980
+c1ccccc1COc2c(ccc(OCc3ccccc3)c2)CCl	981
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4cc(Cl)[n+]([O-])cc4	982
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4ccnc(c4)Cl	983
+C1CCCCN1CCOc2c3ccc(nc3c(cc2)Cl)Cl	984
+C1CCCCN1CCOc2c3ccc(nc3c(cc2)Cl)Cl	985
+FC(F)(F)C(=CC(=O)c1cc2c(s1)cccc2Cl)c3cc(Cl)cc(Cl)c3	986
+FC(F)(F)C1(CC(=NO1)c2cc3c(cccc3Cl)s2)c4cc(Cl)cc(Cl)c4	987
+FC(F)(F)C1(CC(=NO1)c2cc3c(cccc3Cl)s2)c4cc(Cl)cc(Cl)c4	988
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(c4ccccc34)Br	989
+O=S(=O)(n1c2c(cc(cc2)CC[N+](=O)[O-])c3cc(cnc13)Cl)c4ccccc4	990
+CC(C)(C)OC(=O)CCC=1[N+](=O)C(=C=[N-])C=CC=1	991
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	992
+FC(F)(F)c1cccc(N2C(=NOC2=O)c3nonc3NCCN=[N+]=[N-])c1	993
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	993
+N1CC(CN=[N+]=[N-])c2c1cccc2	993
+N(=[N+]=[N-])CC1OC(N2C=C(I)C(N)=NC2=O)CC1O	994
+[N-]=[N+]=NCC1OCN(C1)c2ccc3C(N4C(=Nc3c2)C(c5cc(ccc45)F)=O)=O	994
+c1ccc2c(c1)c3c(cccc3)n2CCCN=[N+]=[N-]	994
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	995
+[N-]=[N+]=Nc1c2c(nc(-c3cc(F)ccc3)c1)ccc(c2)Br	996
+Ic1c(NC(Nc2c(cc(cc2)N=[N+]=[N-])O)=O)cccc1	997
+C1CC(CCC12CCC(CC2)C#N)O	998
+C1CC(CCC1(F)CO)(C#N)NC(=O)OCc2ccccc2	999
+c1cc(ccc1F)CN2c3ccccc3C(Cl)=C(C#N)C2=O	1000
+c1cc(ccc1-c2nn(C3CN(CCC3)C(C(=CC4CC4)C#N)=O)c5ncnc(c25)N)Oc6c(cccc6)F	1001
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6c(ccc(F)c6)F	1001
+c1cc(ccc1-c2nn(C3CN(CCC3)C(C(=CC4CC4)C#N)=O)c5ncnc(c25)N)Oc6c(cccc6)F	1002
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6c(ccc(F)c6)F	1002
+C1COC2(O1)CCC(CC2)CC#N	1003
+C1Cc2ccc(nc2NC1)CCC#N	1004
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C4CCC(CC4)CC#N)nc3	1004
+c1c(cc(CCCC#N)c(F)c1)Br	1005
+c1cc(ccc1)CN2CCC(C2)CC#N	1005
+C(c1c[nH]c2c([N+]([O-])=O)cccc12)C#N	1006
+FC1(F)Oc2cc(ccc2O1)CC#N	1007
+FC1(F)Oc2cc(ccc2O1)CC#N	1008
+[N+](c1cc(CC#N)cc(Br)c1)([O-])=O	1008
+[N+](c1cc(CC#N)cc(Br)c1)([O-])=O	1009
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CC#N	1009
+Clc1cc(cc(Cl)c1CC#N)Cl	1010
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CC#N	1010
+c1(I)cc(ccc1F)CC#N	1011
+C1CC(CCC1C(OC)=O)C#N	1012
+c1c2NC(CCc2cc(C#N)c1)=O	1013
+CC(C)(C)OC(CCc1cccc(C#N)n1)=O	1014
+CC(C)(C)OC(CCc1cccc(C#N)n1)=O	1015
+Nc1ncc(C#N)c(Cl)c1	1016
+N#Cc1ccc2C(=O)c3c(ccc(Br)c3)-c2n1	1017
+N#Cc1ccc2C(=O)c3c(ccc(Br)c3)-c2n1	1018
+c1cc(ccc1Cl)-c2c(nc(Cl)c(c2)C#N)-c3c(Cl)cccc3	1019
+c1cc(ccc1Cl)-c2c(-c3c(Cl)cc(cc3)Cl)nc(O)c(c2)C#N	1020
+[nH]1cc(c2c1ncnc2Cl)C#N	1021
+n1c2c(ccc1)cc(C#N)cc2	1022
+FC(F)(F)C1C(C(OCC)=O)=Cc2cc(C#N)ccc2O1	1023
+c1c(Nc2cncc(-c3ccccc3F)c2C#N)c(F)cc(I)c1	1024
+n1c2c(ccc1)cc(C#N)cc2	1025
+C1CC(CCC1)NC2CN(CC2)C(=O)OCc3ccccc3	1026
+FC(F)(F)S(=O)(=O)Oc1cc2c(C(CCC2)N=[N+]=[N-])cc1	1027
+CC(C)(C)OC(=O)NC1C(F)CN(C(=O)OCc2ccccc2)C1	1028
+CC(C)(C)OC(NC1CCOc2cc(ccc12)C#N)=O	1028
+FC(F)(F)c1ccc(cc1)C=Cc2nc(C(=O)Nc3ccc(cc3)CCCCn4ccnn4)co2	1029
+C1Cc2ccccc2C(c3c1cccc3)=CC4CN(CCO4)C(=O)OCC	1030
+FC(F)(F)C(=O)N(C)c1ccc2nc(oc2c1)C	1031
+c1cc(ccc1C#N)CCCNCCO	1032
+CC(C)(C)OC(=O)N1C(CNC(=O)C(F)(F)F)C2CCC1C2	1033
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1034
+N(C)c1ccc2nc(oc2c1)C	1035
+N(C)c1ccc2nc(oc2c1)C	1036
+CC(C)(C)OC(N1CC(c2c3cccc4CCCn(c2)c34)C(c5c[nH]c6c5cccc6)C1)=O	1037
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1038
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1039
+CC(C)(C)OC(=O)N1C(CC2CCCC12)CNCc3ccccc3	1040
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1040
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1041
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1042
+c1cc(ccc1C(OCC)=O)NCCOc2c3c(ccc2)cccc3	1043
+C1CC(CCC1C(OCCCC)=O)CN=[N+]=[N-]	1044
+C1CC(CCC1C(OCCCC)=O)CN=[N+]=[N-]	1045
+N(=[N+]=[N-])CC1C(C(O)C(n2c3c(c(nc(N)n3)O)nc2)O1)O	1046
+N(=[N+]=[N-])CC1NC(c2c(C1)cccc2)=O	1046
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(OCCN=[N+]=[N-])CC2COc4c(F)ccc(F)c34	1046
+C1CC1NCc2c(ccc(c2)Br)Cl	1047
+c1cc(ccc1NCc2cc(ccc2)OC3CCCCO3)OCCN4CCCC4	1048
+[N-]=[N+]=NCc1ccc2c(c1)OC(C=C2c3cc(F)ccc3)=O	1049
+N(Cc1ccccc1-c2nnsc2)=[N+]=[N-]	1050
+CC(C)(C)OC(=O)Nc1cnc(nc1Oc2c(cccc2)C)SC	1051
+FC(F)(F)C(Nc1ccc2nc(C)oc2c1)=O	1052
+[N-]=[N+]=Nc1cc(ccc1)OCC(=O)O	1053
+n1n2c(c(O)ccc2)nc1NC(OCC)=O	1054
+c12C(=O)c3c(ccc(Br)c3)-c1nc(cc2)C=NO	1055
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCc3cccc(C#N)c3	1056
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCc3cccc(C#N)c3	1057
+CC(C)CN1c2nn(Cc3ccnc4ccc(cc34)Cl)c(-c5n(C)ccc5)c2C(NC1=O)=O	1058
+c1c2c(OCCN2)cc([N+]([O-])=O)c1	1059
+C1OCC1N(C)Cc2n(C)nc(c2)NC3=CC(=CN(C)C3=O)Br	1060
+C1C(c2cccnc2)CC(N)C1	1061
+C1C2CCC(CC1N)N2Cc3ccccc3	1062
+c1ccccc1CC2CCC(CC2)N	1063
+Clc1cccc(c1)C(N)Cc2ncccc2	1064
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(N)c2cc1	1065
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(N)c2cc1	1066
+c1cc(ccc1)-c2c(F)cc(C(N)=NO)cc2	1067
+n1c2c(ccc1)cc(cc2)C(=O)N	1068
+NC(=O)c1c(Nc2ccc(I)cc2F)cncc1-c3ccccc3F	1069
+FC(F)(F)c1c(cnn1-c2ccc(Cl)cc2Cl)C(=O)N	1070
+NC1=C(N)C(NC(=O)N1)=O	1071
+C1(N(Cc2c(F)cccc2)C(C(N)=C(N)N1)=O)=O	1072
+c1c(ccc2c1C(Cl)=C(C#N)C(=O)N2C)F	1073
+c1ccccc1C(NC(C2CCN(CC2)C)=O)C(NC3CCCC(N4c5cccc(Cl)c5-c6noc(c6C4=O)C)C3)=O	1074
+C1CC(CCN1C(=O)C(NC(C2CC2)=O)C)CCc3c(nc(C)nc3N)Cl	1075
+c1cc(ccc1)C2C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4c(cccc4)O2)CC#C	1076
+c1cc(ccc1)C2C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4c(cccc4)O2)CC#C	1077
+FC(F)(F)CSCC(=O)NC1C2N(C(C(O)=O)=C(COC)CS2)C1=O	1078
+C1CC(CCC1)CC(C(NC2C(O)CN(CCC)C(CC2)C)=O)NC(=O)c3occc3	1079
+C1CCCCC1C(C(=O)NC(C(O)c2nc3c(cccc3)o2)CC)NC(=O)c4ccc(cc4)-c5c(Cl)cccc5	1080
+C1CSCCN1C2(CC2)C(=O)N3C(C(NC4(CC4)C#N)=O)CC(S(=O)(=O)c5ccccc5Cl)C3	1081
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(N)=O	1082
+CC(C)(C)OC(=O)NC(C(N)=O)Cc1ccc(cc1)S(=O)(=O)c2ccccc2	1083
+c1ccccc1CN(Cc2ccccc2)C3COC(C(N)=O)CC3	1084
+c1(ccccc1F)-c2ccccc2CC(N)=O	1085
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCOCC(=O)N	1085
+CN(C)C(N(CCO)CCCc1ccc(cc1)C#N)=O	1086
+FC(F)(F)c1nc(C2(CCN(CC2)C(Nc3nc4c(ncnc4OC)s3)=O)O)ccc1	1087
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	1088
+O=S(=O)(C)c1cccc(NC(=O)Nc2ccc(cc2)Oc3ccnc4cc(c(cc34)C#N)OCc5ccccc5)c1	1089
+C1COCCN1c2c(C#N)c(-c3c(cc(cc3)Cl)Cl)c(s2)C(=O)N	1090
+FC(F)(F)c1cc(-c2c(C(N)=O)cc([nH]2)-c3ccnc(n3)N)c(Cl)cc1	1091
+c1(cc2c(cc1)cccc2[N+]([O-])=O)C(=O)N	1092
+FC(F)(F)Oc1ccc(cc1)-n2nc(-c3ccc(cc3)CCCNC(=O)NC(Nc4ccccc4CC)=S)nc2	1093
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)NC(=S)N)Cl	1094
+C1(=C(N(N(C1=O)c2ccccc2F)C)C)N	1095
+c1cc(ccc1)CN2CC(CC2)CCN	1096
+c1cc(ccc1Br)NCCN2CCCC2	1097
+C(Oc1cccc(N)c1)CN	1098
+O=S(=O)(n1c2c(cc(cc2)CCN)c3cc(cnc13)Cl)c4ccccc4	1099
+O=S(=O)(n1c2c(cc(cc2)CCN)c3cc(cnc13)Cl)c4ccccc4	1100
+c1c(cc(c(c1)CCN)Cl)Br	1100
+c1(OC)cc(CCN)cc(Br)c1	1101
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)CN)ccc(c1)Br	1102
+C1CC(CCC1CN)C(OCCCC)=O	1103
+c1ccc2ccc3c4c(ccc1c24)ccc3COCCCCCN	1104
+CC(C)(C)OC(N1CCN(CC1)CCCN)=O	1105
+FC(F)(c1c(Cl)cc(Cl)cc1)CN	1105
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	1106
+c1(cc(Oc2cc(c(cc2I)Cl)Cl)ncc1)OCCN	1107
+C1CC(CCC1CN)C(OCCCC)=O	1108
+C1CC(CCC1CN)C(OCCCC)=O	1109
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	1110
+c1ccccc1COc2ccc(C(O)CN)c3SC(Nc23)=O	1111
+C1(C(OC(C1O)n2c3c(c(nc(N)n3)O)nc2)CN)O	1112
+C1(C(OC(C1O)n2c3c(c(nc(N)n3)O)nc2)CN)O	1113
+NCC1Cc2c(cccc2)C(N1)=O	1113
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCN	1113
+NCC1Cc2c(cccc2)C(N1)=O	1114
+O=S(=O)(c1cc(ccc1)F)c2ccc3CCC(Oc3c2)CN	1114
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCN	1114
+FC(F)(F)c1nccc(n1)N2CCC(CC2)CN	1115
+c12ccccc1c3c(cccc3)nc2CN	1116
+FC(F)(F)C1(ON=C(C1)c2cc(c(nc2)CN)Cl)c3cc(Cl)cc(Cl)c3	1117
+c1cc(ccc1-n2cnc(CN)c2)N3C=CC=CC3=O	1118
+C(c1ccc2c(c(ccc2)O)n1)N	1119
+NCc1c2c(ccc1)cccn2	1120
+C(c1ccc2ncccc2c1)N	1121
+C1CCCC(n2c3cc(CN)ccc3cn2)O1	1122
+Clc1ccc(I)c(CN)c1	1123
+CC(C)(C)OC(COc1ccc(cc1)CN)=O	1124
+c1c(c(-c2nnsc2)ccc1)CN	1125
+c1c(c(-c2nnsc2)ccc1)CN	1126
+C1CCCCC1(c2ccc(cc2)CN)O	1127
+c1cc(ccc1OCCN2CCCC2)CN	1128
+C(c1ccc2ncccc2c1)N	1129
+c1cc(ccc1CN)-c2ocnc2	1130
+C(c1ccc2ncccc2c1)N	1131
+c1cc(ccc1F)-n2ncnc2-c3ccc(cc3)N=CN(C)C	1132
+NC=1C(NC(=O)N(CCCCC)C=1N)=O	1133
+C(CC)N1C(C(N)=C(N)NC1=O)=O	1134
+NNC(c1cccc(c1)I)=O	1135
+FC(F)(F)COc1c(C2CCCCC2)cc(C(NN(c3nnc(Cl)cc3)C)=O)cn1	1136
+FC(F)(F)c1cc(Oc2cc(C(=O)NN)ccc2)ccc1	1137
+c1c(-c2cncc(Nc3ccc(I)cc3F)c2C(NN)=O)c(ccc1)Cl	1138
+Clc1c(SCCCCl)c(ccc1)NN	1139
+FC(F)(F)C(NCCc1cc(ccc1)NN)=O	1139
+FC(F)(F)C(c1ccc(cc1)NN)O	1139
+c1cc(ccc1F)S(=O)(=O)c2ccc(cc2)NN	1139
+c12OC(C)Cc1cccc2NN	1140
+c1cc(ccc1CCNc2cc(nc(n2)OC)-c3cccc(S(=O)(=O)N)c3)OC	1141
+c1c(C(CCCCCl)=O)cc(N)c2OCCc12	1142
+c1cc(ccc1N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl)N	1142
+Fc1cc(cc(F)c1N2CCS(=O)(=O)CC2)N	1143
+OP(O)(c1cc(ccc1)N)=O	1143
+c1cc(ccn1)-c2c(F)c(N)ccc2F	1143
+c1ccccc1Oc2cc(N)c(O)cc2	1143
+c1ncncc1Oc2cc(cc(c2)Cl)N	1144
+Nc1ccc2CC3(c4ccccc4NC3=O)Cc2c1	1145
+FC(F)(F)C(N1CCc2ccc(cc2CC1)N)=O	1146
+FC(F)(F)Oc1ccc(O)c(c1)N	1147
+C(c1cccc(F)c1)n2ncc3cc(ccc23)Nc4c5cc(ncc5ncn4)N	1148
+Nc1cc2c(ncnc2cn1)Nc3cc(Br)c(Br)cc3	1148
+c1ccccc1Nc2nn(cn2)-c3cc(N)ncc3	1149
+C1CCCCC1c2noc(c2)N	1150
+C1CCN(C1)c2nc3cc(ccn3n2)N	1151
+c1cc(ccc1S(=O)(=O)C)-c2cc(sc2-c3ccc(cc3)F)N	1152
+C1CCc2nc3c([n+]([O-])c4ccccc4c3n2OC1)N	1153
+C1CC(CCC1NS(=O)(=O)C(C)C)CNc2nc(cs2)-c3ccccn3	1154
+c1cc(ccc1F)Nc2nc(-c3ccc(cc3)F)cs2	1155
+c1ccccc1OCC(N2CCC(CC2)Cc3ccccc3)C(c4cc5sc(nc5cc4)N)O	1156
+CC(C)(c1cc(ccc1)C(=O)Nc2cccc(Oc3c(c4c(cc3)nc(s4)N)C#N)c2)C#N	1157
+c12c(cccc1)nc(N)c3nc4n(OCCCC4)c23	1158
+c12c(cccc1)nc(N)c3nc4n(OCCCC4)c23	1159
+Nc1sc2c(cc(nc2Br)Br)n1	1160
+c1ccccc1C(c2cc(ccc2F)-c3ccnc(n3)N)O	1161
+n1n2c(c(O)ccc2)nc1N	1162
+n1n2c(c(O)ccc2)nc1N	1163
+c1ccccc1-c2cc3c(N)n[nH]c3nc2	1164
+c1(c(Br)cccc1N2N=C(C(=O)C)C(=O)C(=C2)OC)F	1165
+c1(c(Br)cccc1N2N=C(C(=O)C)C(=O)C(=C2)OC)F	1166
+Fc1c(F)cn(c1)-c2cc(c(N3C=C(OC)C(C(=N3)C(N(C)OC)=O)=O)cc2)OCc4ccccc4	1167
+c1(c(Br)cccc1N2N=C(C(N(OC)C)=O)C(=O)C(=C2)OC)F	1168
+C1CC(CCC1C(=N)NO)C(OC)=O	1169
+o1c(-c2csc(c2)Cl)cc(C3N(C(SC)=NC)C4CC4C3)n1	1170
+o1c(-c2csc(c2)Cl)cc(C3N(C(SC)=NC)C4CC4C3)n1	1171
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)C(NO)=N	1172
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1173
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1174
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1175
+c1cc(ccc1CCC2NC(OC2)=N)NS(=O)(=O)c3cccc4cnccc34	1176
+O=S(=O)(O)N1C(=O)C(C1COC(=O)N)NC(=O)C(=NOCCN=[N+]=[N-])c2nc(sc2)N	1177
+CC(C)(C)[Si](C)(C)OCc1c(nc(Cl)nc1)Nc2n[nH]c(C3CC3)c2	1178
+OB(O)c1cc2ccc(Cl)cc2cc1	1179
+c1ccccc1C#Cc2ccc(cc2)B(O)OC	1180
+CC1(C)OB(OC1(C)C)c2c(F)cc3OCCCc3c2	1181
+FC(F)(F)c1c(C(C(OCC)C(OC)=O)O)ccc(OCc2ccccc2)c1	1182
+C1CC(CCC1c2cccc(F)c2)O	1183
+C1C(CC1)(C(O)CN2CCCCC2)c3ccccc3	1184
+CCOC(=O)C(C(=O)OCC)C(=O)c1c(F)c(OC(F)F)c(c(F)c1)F	1185
+CC(C)(C(OCC)=O)Oc1ccc(cc1)CCCC(=O)O	1186
+CC(C)C(Oc1cccc2c1cc(C)n2Cc3ccccc3)C(=O)OCC	1187
+C1CC(CCC12OCCO2)CC(=O)OC	1188
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1189
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1190
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1191
+N1(C(=O)C)c2cc(C)cc(C)c2C(CCC(=O)O)C1	1192
+c1ccccc1CC(C(OCC)=O)NC(Cn2c3c(cc2)cc(cc3)[N+](=O)[O-])=O	1193
+C1CCCCC1C(C2CCCCC2)CC(=O)NCC(OC(C)(C)C)=O	1194
+c1ccccc1COC(=O)N2CCCC2(Cc3ccccc3)C(NC(C(OC)=O)C(C)O)=O	1195
+c1cc(ccc1N2C(c3c(c(ccc3)C)C2=O)=O)CC(C(OCC)=O)NC(=O)c4c(cc(cc4Cl)-c5[nH]nnn5)Cl	1196
+CC(C)(C)OC(=O)CNC(c1cc(Cl)c(cc1)NC(=O)OCc2ccccc2)=O	1197
+CC(C)(C)OC(=O)CNc1ccc(cc1OCc2ccccc2)I	1198
+c1ccccc1Cn2c(cc3c2cccc3OCC(OC)=O)C	1199
+COc1c(OC)c(cc2cc(ccc12)C=CC(OCC)=O)OC	1200
+COc1c(OC)c(cc2cc(ccc12)C=CC(OCC)=O)OC	1201
+FC(F)(F)C(=O)N(C1CCN(CC1)C(=O)OC2(CC2)C)C3CC3	1202
+C1CN(CCN1c2scc(-c3ccccc3F)n2)C(OCC(C)C)=O	1203
+C1CC(CCN1C(OCCC)=O)Nc2ncc(C(c3ccccc3OC)=O)c(n2)N	1204
+C1CN(CCC1C(=O)OCC)C2CC3(C2)CCN(C(OCC)=O)C3	1204
+CC(C)COC(=O)N(C1CN(C(C2CCN(CC2)c3ccc(C#N)cn3)=O)CC1c4ccc(cc4)Cl)C	1204
+C1CC1NC(Nc2ccc(cc2)-c3nc(N4C(COCC4)C)c5CN(Cc5n3)C(OC)=O)=O	1205
+C1CN(CCC1(c2c(cccc2)C)CNC(=O)OCC)C(=O)OCC	1206
+c1cc(ccc1)S(=O)(=O)n2ccc3c4n(C5CC(NC(=O)OC)CC5)nnc4cnc23	1207
+c1cc(ccc1Br)N2CCC(CC2)NC(=O)OCC	1207
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)NC(=O)OCC(C)C)F	1208
+C1CC1(C(OCC)=O)Oc2cc(NC(OCC)=O)c(F)cc2Cl	1209
+CC(C)OC(Nc1cc(-c2[nH]c3ncc(cc3n2)Br)c(Cl)cc1)=O	1210
+N(c1ccc(C)c(c1)C(=O)c2ccc(Nc3c(F)cc(F)cc3)cc2Cl)C(=O)OCC	1210
+O(C(Nc1cccc(NC(C=C(OC)C)=O)c1)=O)CCC	1210
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)NC(=O)OCC(C)C)F	1210
+C1CCCCC1COc2c3nc(c(n3cc(C)c2)C(OCC)=O)C	1211
+Clc1ccc2cc(C(=O)OCC)[nH]c2c1	1212
+c1cc(ccc1-c2cc(C(=O)OCC)nn2CC(C)C)Br	1213
+CC(C)c1onc(c1)C(=O)OCC	1214
+C1CN(CCC12NC(C(c3c(ccc(c3)C)C)=C2O)=O)OC	1215
+FC(F)(c1ncccc1)CO	1216
+C1CC(CCC1C2CCC(CC2)CCC)CCCO	1217
+O(CCO)CCc1cccc2ccccc12	1218
+C(COCc1nccs1)O	1219
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)CO	1219
+C(O)CCc1ncsc1	1220
+C(CCCc1cc(c(cc1)Cl)Cl)O	1221
+c1c(ccc(-c2oncc2CCCO)c1F)F	1222
+c1c(ccc(-c2oncc2CCCO)c1F)F	1223
+O(COC)Cc1c(cc(c(c1OC)OC)OC)[N+](=O)[O-]	1224
+c1cc(ccc1)C(Oc2cc(Cl)c(OCOC)c(C)c2)=O	1225
+c12-c3ccccc3NC(=S)n1nc(CO)c2	1226
+n1c(ccc2ncccc12)CO	1227
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)CO	1228
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)CO	1229
+Clc1cccc(c1)-c2onc(CO)c2	1230
+Clc1cccc(c1)-c2onc(CO)c2	1231
+c1cc(ccc1Oc2ccccn2)CO	1232
+C1CC1(C(=O)Nc2ccc(CO)c(Br)c2)c3cc4OCOc4cc3	1233
+C1CN2CCC1C(C(CCc3ccc(cc3)CO)(O)c4ccccc4)C2	1233
+c1(cc(CO)c(cc1Br)O)F	1233
+C(O)c1c(F)ccc(Br)c1F	1234
+CC(C)(C)c1c(c(C=Cc2ccc(cc2CO)NS(=O)(=O)C)cc(c1)N3C(=O)NC(C=C3)=O)OC	1235
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COCC(N(OC)C)=O)c4	1236
+C1CC(CCO1)Nc2n3c(nc(N4CCCC4)c2)cc(C(=O)N(C)OC)n3	1237
+Clc1cc(cc(Cl)c1CCC(NOC)C)Cl	1238
+c1cc(ccc1)CC(NC(c2c(-n3cc4ccccc4n3)nccc2)=O)C(O)C(=O)NOCC	1239
+c1c(I)cc(c(Nc2c(C(NOCC(O)C)=O)ccc3cncn23)c1)F	1240
+c1c(cc(c(Nc2c(c3c(cc2C(NOCCOC=C)=O)n(cn3)C)Cl)c1)Cl)Br	1241
+Clc1cc(cc(Cl)c1CCCNOC)Cl	1242
+C1(=NO)c2c(c(F)ccc2)OCC1	1243
+c1c(F)c(c(cc1)F)C(=NO)Cl	1244
+c1(cc(cc(Cl)c1CCC=NOC)Cl)Cl	1245
+c1ccccc1[Si](c2ccccc2)(N3C(CC3C=NOC)=O)C(C)(C)C	1246
+c1c([N+]([O-])=O)c(cc(c1)C(=O)OC)C=NOC	1247
+O=Cc1c(O)c(c(cc1)Br)F	1248
+CC(C)N1C(=O)c2cc(ccc2C(=N1)Br)O	1249
+O(c1ccnc(O)c1)C	1250
+FC(F)(F)c1cccc(-c2c(O)nc3ccc(cc3c2O)Br)c1	1251
+FC(F)(F)c1cccc(-c2c(O)nc3ccc(cc3c2O)Br)c1	1252
+c1cc2c(c(ncn2)O)nc1Cl	1253
+c1cc(ccc1)C(c2ccccc2)N3C(=O)C(c4ccc(OCc5ccccc5)cc4O)c6c3cccc6	1254
+c1ccccc1-c2nn3ccccc3c2C=4C=CC(N(C5CC(=O)CCC5)N=4)=O	1255
+O=C(Cc1cc(c(-c2ccc(cc2F)F)cc1)F)Cl	1256
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(=O)Cl	1257
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)OCC(Cl)=O	1258
+c1ccccc1COCC(=O)N2CCCN(c3c(Cl)cc(Cl)cc3)CC2	1259
+C1CN(CCC1)S(=O)(=O)c2ccc(c(COCC(=O)N3CCCC3)c2)Cl	1260
+C1CN(CCC1c2ccccc2)C(=O)C3C4(c5ccccc5CCC4)CN(C3)Cc6ccccc6	1261
+C1C(CC1)C(=O)N2CC(c3c4cccc5CCCn(c3)c45)C(c6c7c(cccc7)[nH]c6)C2	1262
+c1nc(ncc1)N2CCN(CC2)C(Cn3c(Br)nc(Br)c3Br)=O	1263
+C1CN(CCN1C(CC2CC2)=O)S(=O)(=O)c3cccc4ccccc34	1264
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2c3c(cccc3)c(cc2)CNC(=O)CC(F)(F)F	1265
+c12c(cccc1)nc(c3c2cccc3)CNC(=O)CCl	1266
+c1ccccc1CNC(COc2ccc(cc2)-c3c(c(CN4C(=O)CCC4=O)nc5c3c6CCS(=O)Cc6s5)Cl)=O	1267
+c1ccccc1-c2ccc(cc2)OCCCC(=O)NO	1268
+c1(ccc(cc1Cl)NCC(=O)NO)Cl	1269
+FC(F)(F)C(N1CCc2cc(NC(=O)CCN3CCN(CC3)Cc4ccccc4)ccc2CC1)=O	1270
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(=O)Nc4[nH]nnn4)c1	1271
+c1(c(sc(n1)NC(CCl)=O)C(=O)c2ccccn2)-c3occc3	1272
+C1CN(CCO1)C(COc2cc(ccc2)NC(=O)CCl)=O	1273
+c1c(F)c(c(cc1N2CCOCC2)F)NC(CC3CCC=C3)=O	1274
+c1cnccc1SCC(Nc2cccc(c2)-c3n4ncc(C(c5sccc5)=O)c4ncc3)=O	1274
+c1cc(ccc1-c2ccc(cc2)S(=O)(=O)OCC(Nc3cc(c(C(=O)O)cc3)O)=O)Cl	1275
+c12c(-c3c(c4c(cccc4)c(n3)O)C1)ccc(NC(=O)CCl)c2	1276
+c1cccnc1N2C(N(CC(Nc3cc4c(CC5(c6cccnc6NC5=O)C4)cc3)=O)CC2)=O	1277
+FC(F)(F)C(N1CCc2cc(NC(=O)CCN3CCN(CC3)Cc4ccccc4)ccc2CC1)=O	1278
+c1c(ccc(-c2oncc2CCC(OC)=O)c1F)F	1279
+C1CCCC1(c2cc(c(Cl)cc2)Cl)C(=O)CBr	1280
+CC(C)(C)OC(CC1(CC2c3c(C1CC2)cccc3)O)=O	1281
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N(C2CC2)C3CCN(CC3)C(CCN4CCC(CC4)O)=O	1282
+c1c(ccc(-c2oncc2CCC(OCC)=O)c1F)F	1283
+C1NCCN(CCNCCNC1)CC(=O)NCc2nc3c(c4ccccc24)cccc3	1284
+c1cc(ccc1)NCC(Nc2c(ccc(Cl)c2)C(=O)O)=O	1285
+FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)Br)ccc1Cl	1286
+O=S(=O)(NCc1cnccc1)c2cccc(c2)C=CC(Cl)=O	1287
+c1cc(ccc1)C=CS(=O)(=O)Nc2cc(ccc2)C=CC(NO)=O	1288
+c1c(cc(cc1)C=CC(=O)NO)NC(C=Cc2cc3OCOc3cc2)=O	1289
+c1ccccc1CS(=O)(=O)n2cc(C=CC(=O)NOC3OCCCC3)cc2	1290
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(NOC3OCCCC3)=O)=O	1291
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)NO	1292
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)NO	1293
+c1cc(ccc1)C=CC(=O)Nc2c(CCN3CCN(CC3)c4nsc5c4cccc5)cccc2	1294
+c1cc(ccc1Cl)Sc2ccc(cc2)CCC(=O)Cl	1295
+c1ccccc1Oc2nccc(n2)C(=O)Cl	1296
+Clc1cc(cc(Cl)c1CN2CCC3(CCCCC3)C2=O)OCc4ccccc4	1297
+c1c(Cl)c(c(cc1Br)Cl)CN2CCC3(CCCCC3)C2=O	1298
+c1cc(ccc1CC(=O)N2C(CCC2)C(=O)Nc3ccc(cc3)Cl)N4CCOCC4=O	1299
+C1CC1NC(=O)C(=O)C(Cc2ccccc2)NC(c3cccnc3-n4cc5ccccc5n4)=O	1300
+c1ccccc1CC(NC(C2N(C(=O)CC2)Cc3ccccc3)=O)C(=O)C(NCc4ccccn4)=O	1300
+C1CC1NC(=O)C(=O)C(Cc2ccccc2)NC(c3cccnc3-n4cc5ccccc5n4)=O	1301
+c1ccccc1CC(NC(C2N(C(=O)CC2)Cc3ccccc3)=O)C(=O)C(NCc4ccccn4)=O	1301
+FC(F)(F)c1cc2scc(N3CCN(CC3)CCC4(CC4)C(=O)NCCCn5ccnc5)c2cc1	1302
+c1cc(ccc1)CC(C(C(NC2CC2)=O)O)NC(c3c(-n4cc5ccccc5n4)nccc3)=O	1303
+c1ccccc1CN2C(CCC2=O)C(NC(Cc3ccccc3)C(C(NCc4ncccc4)=O)O)=O	1303
+C1CC1(C(=O)NC(CO)c2cc(Cl)ccc2)Nc3nc(ncc3Cl)Cl	1304
+FC(F)(F)c1cc(Oc2cc(ccc2)CN(C(NC3CCCCC3)=O)CCN4CCCCC4)ccc1	1305
+C1CN(CCO1)CCNC(=O)Nc2ccc3c(c2)ccc(n3)NC4CCc5c4cccc5	1306
+c1cc(ccc1)C(c2ccccc2)NC(c3c(O)nc(COCc4ccccc4)nc3)=O	1307
+c1cc(ccc1F)-n2ccc(n2)C(NC3CCN(c4nccn5c4nnc5)C3)=O	1308
+c1ccccc1COc2c(c(cc(OCc3ccccc3)c2)Oc4ccc(cc4)[N+]([O-])=O)-c5onc(C(=O)NCCF)c5	1308
+c1ccccc1-n2cnc(n2)C(NC3CN(c4nccn5ccnc45)CC3)=O	1309
+FC(F)(F)CNC(=O)c1ccc(cc1)C=O	1310
+FC(F)(F)c1cc(c(C(=O)NC2C(N)CCCC2)cc1)C3CC3	1311
+c1ccccc1CNC(c2cc(N3NC=C(C3=O)c4cccnc4)ncc2)=O	1312
+FC(F)(F)c1cc(C(NC2C(CN(CCNc3ncccn3)CC2)O)=O)ccc1	1313
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)Cl	1314
+c1cc(ccc1N2C=CC=CC2=O)-n3cc(CNC(c4ccc5c(cc[nH]5)c4)=O)nc3	1315
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)Cl	1316
+C1CSCCN1c2ncc(cc2)CNC(c3ccc(cc3)-c4cc(F)ccc4)=O	1317
+c1c(cc(c(Nc2c(C(NOCCOC=C)=O)ccc3cncn23)c1)F)Br	1318
+c1cc(ccc1)C2C(N3C(C4N(CCN(C4)C(Nc5n(-c6ccccc6)ncc5)=O)C3=O)=O)C2	1319
+c1ccccc1C(c2ccccc2)C(Nc3c(nc(COCc4ccccc4)nc3)O)=O	1320
+c1c(C(=O)Nc2c(ncnc2Cl)Nc3ccnc(Cl)c3)cc(F)cc1	1321
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC4OC(C)(C)OC4)n3	1322
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC4OC(C)(C)OC4)n3	1323
+CC(C)(C)OC(N1CCN(CC1)C(=O)Nc2noc3c2cccc3)=O	1324
+C1CC(CCO1)OC(c2cc(c(cc2)Cl)Cl)C(=O)Nc3sccn3	1325
+c1cc(ccc1[N+](=O)[O-])C(=O)Nc2scc(COc3ccc(cc3)CCCCn4ccnn4)n2	1326
+C1CC1C(Nc2cc(ccc2)-c3ccc(nn3)N4CCN(CC4)C5CC5)=O	1327
+C1CC1C(C(Nc2ccc(cc2)Cl)=O)Oc3c4c(cccc4)ccc3	1328
+FC(F)(F)c1cccc(CC(=O)Nc2ccc(Br)cc2C(=O)OC)c1	1329
+C1CN(CCN1)C(=O)Nc2cc(Cl)c(Cl)cc2	1330
+CC(C)(C)OC(N1CC(c2ccc(cc2)NC(OC3CCC(F)(F)CC3)=O)CC1)=O	1331
+c1cc(ccc1)COC(=O)Nc2ccc(c(c2)F)-n3nc(cc3)-c4ccccn4	1332
+c1cc(ccc1)CN2CCN(CC2)c3ccc4c(C(OC(=O)N4)=O)c3	1333
+C(Oc1noc(C(Nc2cc(Cl)c(F)cc2)=O)c1)CCBr	1334
+FC(F)(F)C(c1c(cccc1)NC(c2occc2)=O)O	1335
+c1ccccc1NC(c2cnc(cn2)N3CC(C3)Oc4cc(ccc4Br)F)=O	1336
+FC(F)(F)c1cc(NC(=O)c2ccncc2)c(N3c4c(cccc4)CC3)cc1	1337
+c1ncncc1Oc2cc(NC(c3cccc(Cl)c3)=O)cc(c2)Cl	1338
+c1cc(ccc1NC(=O)c2c(F)cc(F)cc2)C(=O)N3Cc4c(Cc5ccccc35)cccc4	1339
+c1ccccc1NC(=O)c2cccc(-c3ccnc4n3ncc4C(c5sccc5)=O)c2	1340
+FC(F)(F)Oc1cc(c(O)cc1)NC(=O)c2c(cncc2)Cl	1341
+c1ccccc1COc2ccc(Cl)cc2Cn3cc(NC(c4c(Cl)cccc4F)=O)cn3	1342
+c1cc(ccc1)C(c2ccccc2)CC(N3CCN(CC3)CC(=O)OCC)=O	1343
+c1cc(ccc1C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5)COCC(=O)OCC	1344
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCC(=O)O	1345
+c1cc(ccc1)COc2cccc(-c3nc(C(OCC)=O)cs3)c2OCc4ccccc4	1346
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3ncc(-c4ncccc4)cc3	1347
+FC(F)(F)CCCOc1ccc(cc1)C(=O)C(F)(F)F	1348
+c1cc(ccc1)C(=O)N2CCN(CC2)C3(Cc4cccc(Cl)c4)c5ccc(cc5NC3=O)Cl	1349
+C1N(CC1N2CCN(CC2)C(=O)c3sccn3)C(=O)c4cc5CCN(c6ccc(cc6)F)c5cc4	1350
+CC(C)(C)OC(N(c1ccncc1)CCOc2cc(cc(c2)Cl)C(=O)N(c3cccc(c3)F)CCCn4ncnn4)=O	1351
+C(c1ccc(O)c([N+]([O-])=O)c1)(N2CCOc3ccccc23)=O	1352
+C(c1ccc(O)c([N+]([O-])=O)c1)(N2CCOc3ccccc23)=O	1353
+c1c(F)cc(cc1C(=O)c2cc(c(F)cc2)C#N)F	1354
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)C(=O)OCC	1355
+Clc1cccc(c1)-c2onc(c2)C(=O)OCC	1356
+c1cc(ccc1)COc2cc(cc(Oc3ccc(cc3)[N+]([O-])=O)c2-c4onc(C(OCC)=O)c4)OCc5ccccc5	1357
+c1cc(ccc1Cl)OCc2ccc(cc2)CNC3=C(Nc4ccncc4)C(=O)C3=O	1358
+C1(=O)COCC(c2cc(ccc2)Br)(CO)N1	1359
+CC(C)(N1C(c2c(Cl)c(ccc2C1=O)F)O)c3ccccc3	1360
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)C3=NOC(N3)=O)OCC=C(Cl)Cl)Cl	1361
+N1C(C(c2c3c4n(c2)CCc4ccc3)=C(C1=O)c5c[nH]c6ccccc56)=O	1362
+c1cc(ccc1NC(=O)C)N2CCNC2=O	1363
+C1CN(CCC1N2C(Nc3cc(Cl)ccc23)=O)C(=O)OCC	1364
+FC(F)(F)c1c2N=C(N(c3c(Cl)cccc3)C(=O)c2ccc1)CCl	1365
+c1cc(ccc1-c2ccc(s2)C(=O)CCc3c(c(c(O)cc3)Cl)Cl)Br	1366
+C1CCCC1CCCC=O	1367
+C1CC(CCC1)N(CCCCCC=O)C(c2ccccc2)=O	1368
+c1c(ccc(c1Cl)Cl)CCCC=O	1369
+c1cc(ccc1)CON2C(=O)N3C(CCC2C3)C=O	1370
+O=C1c2ccccc2C(=O)N1CC3Cc4c(O3)c5c(CCC5)cc4	1371
+C1(c2c(C(=O)N1CC3COCC3)cccc2)=O	1372
+c1cc(ccc1[N+]([O-])=O)Cn2c3c(cc(Br)cc3)cc2C(=O)OCc4ccccc4	1373
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(OC)=O	1374
+n1c(SCC(=O)NCC2CN(CCO2)Cc3ccc(c(c3)Cl)Cl)scc1C=O	1375
+Clc1cccc(c1)-c2onc(c2)C=O	1376
+n1n2CCOCc2cc1C=O	1376
+c1cc(ccc1)COc2c(ccc(C=O)n2)[N+]([O-])=O	1377
+c1ccccc1-c2sc3c(c(ccc3)C=O)n2	1378
+c1cc(ccc1Nc2c(cnc3c2cc(cc3)Cl)C=O)Cc4ccccc4	1379
+O=S(=O)(n1ccc2c1cccc2)c3cc(C=O)c(cc3)Br	1380
+c1cc(ccc1)-c2c(C=O)cc(cc2)Br	1381
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)N=C=O	1382
+C1CC1COc2cc(ncc2)CS(c3nc4c(cc(F)cc4)[nH]3)=O	1383
+FC(F)(F)S(=O)(=O)Nc1cc(OCc2nc3ccccc3cn2)ccc1	1384
+FC(F)(F)c1cc(c(cc1)S(=O)(=O)Nc2cc(Cl)c(c(c2)Cl)Sc3ccc4ccccc4c3)Cl	1385
+c1ccccc1-n2nc3ncc(NS(=O)(=O)c4ccccc4)cc3c2	1386
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)-c3ccc(Cl)cc3CO2	1387
+C1COCCN1S(=O)(=O)c2cc(ccc2OC)F	1388
+c1cc(ccc1)S(=O)(=O)N2CC(c3cn4c5c(cccc35)CCC4)C(c6c[nH]c7c6cccc7)C2	1389
+CC(C)(C)OC(N1CC2CC(CC(C1)N2S(=O)(=O)c3ccc(cc3)Cl)=O)=O	1390
+CC(C)(C)Sc1ccc(c(c1)Cl)Cc2c3c(ccc(c3)C(NS(=O)(=O)CCCCC)=O)[nH]c2C	1391
+c1(nc2c(nc(Cl)c(C#N)c2)n1C)C	1392
+C1COCCN1C(c2ccc(OCc3c(noc3C)-c4ccncn4)nc2)=O	1393
+CN(C)C(=O)c1cn2c(nnc2c(NCc3c(cccc3CC)C)c1)C	1393
+C1CCCCN1C(c2cc(C)c(Nc3cnc(C)cc3)nc2)=O	1394
+c1ccccc1C(CO)NC(=O)c2cnc3c(cnn3CC)c2NC4CCOCC4	1395
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)c3cncc(C(=O)Nc4ccc(cc4)Cl)c3	1396
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(=O)OCC)Cl)CC#N	1397
+FC(F)(F)c1ccc2c(c(cnc2c1)CCl)O	1398
+N1(c2c(C(=O)N(c3ccc(Cl)nc13)C)cc(CCl)cn2)CC	1399
+C1CN(CCC1N2CCCCC2=O)Cc3c(-c4ccccc4)nc5ccccc5c3C(OC)=O	1400
+CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12	1401
+CC(C)(C)Oc1ccc(CO)cn1	1402
+c1cc(ccc1OCc2cc3c(nc2)N(c4nc(Cl)ccc4N(C)C3=O)CC)O	1403
+O(c1c(Cl)ncc(CO)c1)C	1404
+O(c1c(cc(CC)c(C)n1)C=O)C	1405
+c1(ccncc1N2CCNC2=O)C	1406
+[nH]1c2c(c(NC(c3nccnc3)=O)c1)c(F)c(cn2)Br	1407
+FC(F)(F)c1cccc(c1)C(Nc2cc(c(C)nc2)I)=O	1408
+c1cc(ccc1Cn2c(cc(NCc3ccccc3)c2)C(=O)C)F	1409
+C1CN(CCN1c2ncc(cc2)Nc3nc4c(c(N)n3)scc4-c5cc(ccc5)NS(=O)(=O)C)CC	1410
+O=S(=O)(N1CC2(C(=O)c3ccccn3)C(=Cc4c(cnn4-c5ccc(cc5)F)C2)CC1)c6ccc(Cl)nc6	1411
+c1cc(ccc1F)-c2nc3n(c2)c(c(s3)C(N)=O)C	1412
+C1CCCCC1c2nc(c(C)o2)C(=O)Cl	1413
+Fc1cccc(F)c1COc2cccn3c2nc(C)c3C(=O)NCC(CC(C)C)(N)C	1414
+c1cc(ccc1CNC(=O)c2sc(nc2C)N)Cl	1415
+CN(C)c1nccc(-c2c(nc3n2cccc3)CN(C4CCCc5c4nccc5)C)c1	1416
+CN(C)c1nccc(-c2c(nc3n2cccc3)CN(C4CCCc5c4nccc5)C)c1	1417
+CN(C)c1nccc(-c2n3ccccc3nc2C=O)c1	1418
+FC(F)(F)c1ccc(cc1)CNc2nc(c(c(N)n2)NC(CC3CCCC3)=O)C	1419
+CC(C)OB(O)c1ccc2c(CCCC2)c1	1420
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(ccc(F)c3)F	1421
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(ccc(F)c3)F	1422
+CC1(C)OB(OC1(C)C)c2c(F)cc3c(c2)CCC(=O)N3C	1423
+c1c(cc(-c2ccc(cn2)C)c(Cl)c1)Br	1424
+c1cc(ccc1Oc2c(ccc(F)c2)F)I	1425
+c1cc(ccc1CCO)Nc2nc(C)cc(C)c2[N+]([O-])=O	1426
+FC(F)(F)Oc1ccccc1-c2cc(c(n2CC3OCCC3)C)C(=O)NC4CCCCC4	1427
+CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1	1428
+c1cc(ccc1)-c2scc(n2)COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC	1429
+c1ccccc1-c2scc(COc3cccc4oc(cc34)-c5nc6n(c5)nc(OC)s6)n2	1430
+FC(F)(F)c1c([n+]([O-])c(cc1)Cl)Cl	1431
+C1CCCCC1(c2ccc(cc2)CNC(c3c(C)nc4ncccc4c3)=O)O	1432
+FC(F)(F)c1ccc(C(NC2CCC2)=O)c(O)n1	1433
+N#CCc1c(C)nccc1	1434
+O(c1c(CCl)cc(F)c(C)n1)C	1435
+O(c1c(CCl)cc(F)c(C)n1)C	1436
+c1(CCl)c(C)nccc1	1437
+c1cc(ccc1C(Nc2c(CNC(=O)C3NC(CC3)=O)cc(F)c(Nc4[nH]nc(c4)C5CC5)n2)C)F	1438
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(c3ccc(c(c3)F)CNS(=O)(=O)C)C	1439
+O(c1c(CO)cc(F)c(C)n1)C	1440
+c1ccccc1C=C2c3nc(C)c(cc3CCC2)C=O	1441
+O(c1c(c(cc(c1OC)OC)C)C(c2c(c(Br)cnc2OC)Cl)=O)C	1442
+O(c1cccnc1OCC(OC)=O)C(C)=O	1443
+O(CC(=O)OC)c1c(O)cccn1	1444
+O(CC(=O)OC)c1c(O)cccn1	1445
+c1(ocnc1)-c2cc(ncc2)-c3c(C)ccnc3OC	1446
+C1CN(CCN1C(Nc2c(nc3c(ccc(F)c3)n2)OC)=O)c4cc(ccc4)C	1447
+c1cc(CNc2nc(SC)ncc2C=O)cc(Cl)c1OC	1448
+CC(C)(C)CN(C)c1c(c(ncn1)Nc2cc(C(NC)=O)ccc2C)NC(=O)C	1449
+O=S(=O)(NC1CCC(CC1)O)c2c(ccc(-c3cnc(N)nc3C)c2)Cl	1450
+C1CC(CCN1c2c(ccc(C)n2)C#N)=CC#Cc3cc(F)cc(F)c3	1451
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1452
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1453
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1454
+FC(F)(F)c1c(nc(cc1)Cl)Cl	1455
+FC(F)(F)c1c(nc(cc1)Cl)Cl	1456
+CN(C)c1c(C#N)ccc(Oc2cc3COB(c3cc2)O)n1	1457
+C1(COc2c(c(F)c(cc2)CCCl)N1C)=O	1458
+N#Cc1cc2c(CCCC2)c(c1OC)I	1459
+FC(F)(F)C(c1cc2c(cc1F)OCC(N2C)=O)(C(C)c3ccc(Br)cc3Cl)O	1460
+C1CC(CCN1Cc2ccccc2)c3ccc(cc3)OC	1461
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C)cccc2F	1461
+CC(C)(C#N)c1cc(C)c(C(C)NC(=O)Cn2c3c(cccc3nc2)F)cc1	1462
+c1cc(ccc1)COc2c(cccc2-c3ccccc3)C(c4cc(ccc4)-c5c(cccc5)OC)C	1463
+c1cc(ccc1C)C2c3c(cc(Br)cc3)CN(C2)C	1464
+CC(C)C(c1ccc(c(c1)[N+]([O-])=O)NC)n2cncc2	1465
+N(O)=C(CNC(C)=O)c1cccc2ccc(OC)cc12	1466
+c1cc(ccc1-c2cc(c(cc2)OC)C(C)=O)C#N	1467
+COc1cccc(C(=O)C)c1Br	1468
+C1CCC(C1)CC(C(OC)=O)c2cc(c(SC)cc2)Cl	1469
+c1(C)cc(C(CNCCO)O)ccc1[N+]([O-])=O	1470
+CC(C)(C)OC(=O)Nc1c(cc(-c2cc(ccc2F)F)cc1)NC(CC(=O)c3cccc(C#N)c3)=O	1471
+c1cc(ccc1C(Cl)c2ccc3c(c2)c(cc(n3)O)-n4ccnc4)Cl	1472
+ClC(c1cc(C)c(cc1)[N+]([O-])=O)=NO	1473
+CC(C)COc1c(CCC(OCC)=O)cc(C(c2c(OCC(C)C)cc(OCC(C)C)cc2)N)cc1	1474
+NC(=O)c1cc2c(CCCC2)c(c1OC)I	1475
+c1cc(ccc1C(N)=O)-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C	1475
+CC(C)(C)OC(c1ccc(cc1)N(c2cc(OC)c(cc2)C(N)=O)Cc3scnc3)=O	1476
+FC(F)(F)c1cc(C2(SCCCS2)C(O)c3cc(c(cc3)OC(F)F)C)ccc1	1477
+FC(F)(F)c1cc(cc(Cl)c1N)C(O)CN(Cc2ccccc2)CCCCCCOCCc3ncccc3	1478
+FC(F)(F)C(Oc1cc(nc(N)n1)Cl)c2c(cccc2)-c3cscc3C	1479
+c1c2c(OCCO2)cc(C(c3c(ccc(I)c3)Br)=O)c1	1480
+c1cc(ccc1F)CN2C(=O)C(=C(Cl)c3cc(C)ccc23)C#N	1481
+c1cc(ccc1C(Cl)=NO)C	1482
+CC1(C)OB(O)c2c1cc(C(=NO)Cl)c(F)c2	1483
+CC1(C)OB(O)c2c1cc(C(=NO)Cl)c(F)c2	1484
+c1c(c(C(Cl)=O)cc(-c2nnn[nH]2)c1)OC	1485
+FC(F)(F)C=1N(C)C(=O)N(c2cc(c(Cl)cc2F)C(=O)Cl)C(=O)C=1	1486
+c1cc(ccc1-c2ccc(cc2)C(Cl)=O)OCCCCl	1487
+c1cc(ccc1C(Cl)=O)OCC#CC	1487
+c1ccccc1CC(NCCc2c3c(ccc2)ccc(c3)C(=O)Cl)=O	1488
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	1489
+COc1c(C(Cl)=O)c(ccc1)CCCCCCCCCCCCCCC	1490
+C1CCCC1Oc2cc(C(=O)Cl)ccc2SC	1491
+CC(C)N1C(C(Oc2cc(C(Cl)=O)ccc12)CC)=O	1491
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	1492
+C1CN(CCN1C(=O)c2c(cc(cc2)Br)S(=O)(=O)C)c3ncc(cc3C4CC4)C5CC5	1493
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(c3cc(S(=O)(=O)C)ccc3SCC)=O	1494
+C1CN(CCC1C(=O)N2CCN(CC2)C(c3ccc(cc3)C#N)=O)c4ccncn4	1495
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCCl	1496
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCCl	1497
+C1CC2(CCN1C(=O)c3cc(OC)c4c(n(C5CC5)cc4)c3)Oc6ccc(-c7cc(ccc7)C(O)=O)cc6C(=O)C2	1498
+C1CN(CCO1)C(=O)c2ccc(cc2)Nc3c4n(ccn4)cc(Br)n3	1498
+C1C(CC1)N(C)C(c2cc(ccc2OC)Oc3c(cc(cc3Cl)COC)Cl)=O	1499
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)NCC3CC3	1500
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2nc3c(o2)cc(cc3)C(N(C)C)=O)cc1)C	1501
+c1(I)ccc(C)cc1C(=O)N2C(C)CCCC(COc3ccc(c(C)c3)F)C2	1502
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3CCc4nncn4-c5c3cccc5	1503
+c1cc(ccc1-c2cccc(C)c2)C(N3Cc4cccn4Cc5ccccc35)=O	1504
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3CCc4nncn4-c5c3cccc5	1505
+C(C)C(CC)(c1cc(c(C#CC2(CCCC2)O)cc1)C)c3cc(c(C(NC(C)(C)C(OC)=O)=O)cc3)C	1506
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	1507
+C1CN(CCN1CCNC(=O)c2c(OC)c3c(c(Br)c2)cccc3)c4c(c(Cl)ccc4)Cl	1508
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	1509
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	1510
+c1cc(ccc1NS(=O)(=O)C)C(NCCN2CCSCC2)=O	1510
+C(c1ccc(C)nc1)NC(=O)c2cc(cc(c2)-c3ccc(cn3)C)Br	1511
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	1511
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)C(NCCOc3cc(ccc3)C#N)=O)=O	1511
+CC(C)(C)ON=C1c2c(OC(=C1)c3ncn4c(c3)ccc4)ccc(c2)C(=O)NCCN5CCOCC5	1511
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3c(OC)cc(C(=O)NS(=O)(=O)c4ccccc4C)cc3)cn(C)c2cc1	1511
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(=O)NCCC(=O)OC	1511
+Nc1c2c(CCCN2C)c(cc1C(NC3CCCCC3O)=O)Br	1511
+c1cc(ccc1)C(N(S(=O)(=O)c2ccc(cc2)Cl)Cc3ccc(cc3)C(=O)NCCCOC)CC	1511
+c1cc(ccc1)OCC(Nc2ccc(cc2)C(=O)NCCC(OCC)=O)c3oc4c(cccc4)c3C	1511
+c1cc(ccc1C(=O)NCCC(=O)OC)C(=O)CCC	1511
+c1cc(ccc1CCNC(=O)c2cc(-n3cnnn3)cc(-c4ncccc4OC)c2)F	1511
+C1CC(CCO1)NC(=O)c2c(Oc3ccc([N+]([O-])=O)cc3F)cc4cnn(C5OCCCC5)c4c2	1512
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	1513
+C1CC1NC(=O)c2cc(C=3C(=O)N(C)c4nc(ncc4C=3)SC)c(C)cc2	1514
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	1515
+c1(F)cc(cc(F)c1)CC(C(CNCc2cccc(OC)c2)O)NC(c3cc(cc(c3)C(=O)N(CCC)CCC)C)=O	1516
+c1cc(ccc1NC(CCc2cc3c(OCO3)cc2)=O)C(NN=C4c5c(ccc(c5)Br)NC4=O)=O	1517
+c1cc(ccc1C(NN)=O)CCCCCCCCCCCC	1518
+c1ccccc1C(Nc2ccc(cc2)Cc3cn(C)c4ccc(C(=O)NO)cc34)=O	1519
+C1CC(CCC1)c2c3ccc(C(=O)NS(=O)(=O)C4CC4)cc3n5CC(C(=O)OC)=Cc6cc(OC)ccc6-c25	1520
+O=S(=O)(c1ccccc1C)NC(c2ccc(Cc3c4c(ccc(c4)C(OC)=O)n(C)c3)c(OC)c2)=O	1521
+C1CN(CCN1CC)c2cc(C#N)c3c(C(N(c4cc(ccc4C)C(=O)Nc5ccon5)C=N3)=O)c2	1522
+C(C)c1cccc(CC)c1C(=O)Nc2sc(nn2)C(CC)(CC)C	1523
+c1cc(ccc1Oc2cc(cc(C(Nc3sccn3)=O)c2)OC4C(=O)N(C)CC4)-c5oc(C)nn5	1524
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnc(cc2)NC(N3CCCC3)=O)F)CCC	1525
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnc(cc2)NC(N3CCCC3)=O)F)CCC	1526
+c1cc(ccc1N2CCN(CC2)Cc3cccc(C#N)c3)NC(=O)c4cccc(c4-c5ccc(cc5)C(C)C)C	1527
+FC(F)(F)c1cc(ccc1-n2cnc(c2)C)C(Nc3ccc(C)c(c3)NC(c4csc5c4ncnc5NC6CC6)=O)=O	1528
+FC(F)(F)c1c(ccc(NC(=O)c2c(CCCCCCCCCCCCCCC)cccc2OC)c1)C#N	1529
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(Nc4ccccc4)=O)CNC(C)=O	1530
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(OC)=O)CNC(=O)NC	1530
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc3c(nc(o3)-c4cccc(c4)NC(=O)c5cccc(c5)N(C)C)n2	1531
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(F)ccc2C(=O)Nc3c(cccc3)C(Nc4ccc(Cl)cn4)=O	1532
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(F)ccc2C(=O)Nc3c(cccc3)C(Nc4ccc(Cl)cn4)=O	1533
+Clc1cncc(Cl)c1NC(c2ccc(SC)c(OC3CCCC3)c2)=O	1534
+c1cc(ccc1C#N)NC(c2ccc(OC)cc2[N+]([O-])=O)=O	1534
+c1cc(ccc1)CN2CCC(OC(=O)c3cc(c(cc3)[N+]([O-])=O)OC)C2	1535
+O=C1CCC(=O)N1OC(=O)c2c(OCCCN=[N+]=[N-])ccc(c2)C(=O)C	1536
+FC(F)(F)c1ccc(cc1)C(c2c(c3C(CC(C)(C)Oc3cc2C(C)C)=O)C4=CCCCC4)=O	1537
+O=S1(=O)CCN2CCCC(c3ccc(cc3)Oc4ccc(F)c(C)c4)C2=N1	1538
+c1cc(ccc1C(=O)OC)C2C=CC=[N+]([O-])C2=O	1539
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4cccc(C)c4	1540
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4cccc(C)c4	1541
+FC1(F)CCC2(CC1)C(=C(C(N2)=O)c3c(C)ccc(c3)-c4cc(c(Cl)cc4)F)O	1542
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(cc3)C	1543
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(cc3)C	1544
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	1545
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	1546
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	1547
+c1cc(ccc1F)CCc2c(cc(CBr)cc2)C(OC)=O	1548
+c1cc(ccc1OC(=O)C)CBr	1549
+C(Br)c1cc(c(Cl)cc1F)OC	1550
+CC(C)c1cc(cc(C(C)C)c1CBr)C(C)C	1551
+Fc1cc(CBr)c(F)cc1Cl	1552
+FC(F)(F)c1cc(CBr)c(cc1)Oc2cccc(c2)C(C(=O)O)C	1553
+N#Cc1cc(F)c(cc1F)CBr	1553
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CBr)cc1)Br)CC	1553
+c1c(c(Cl)cc(c1)CBr)OCC=C	1553
+c1cccc(CCCCCCCCC)c1CBr	1553
+O=S(=O)(N)c1c(c(SC)cc(CBr)c1)Cc2ccccc2	1554
+C(c1cccc2ccc(OC)cc12)C#N	1555
+c1(cc(CC#N)cc2c1OCO2)OC	1556
+C(c1cccc2ccc(OC)cc12)C#N	1557
+c1(cc(CC#N)cc2c1OCO2)OC	1557
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCc3cc(CC#N)ccc3	1557
+C(C#N)c1cc(c(Cl)cc1F)OC	1558
+C(C#N)c1cc(c(Cl)cc1F)OC	1559
+Clc1cc(c(Cl)c(CC#N)c1)OC	1559
+FC(F)(F)COc1c(F)ccc(CC#N)c1	1560
+CC(C)c1c(CC(O)=O)cc2OCOc2c1	1561
+O(C)c1cc(cc(OC)c1OC)CC(=O)O	1562
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN(c3ncccn3)C	1563
+c1cc(ccc1Cl)CCC(=O)C2(CC2)Sc3ccccc3	1564
+C(CO)Cc1c(CC#N)cccc1	1565
+c1cc(ccc1)C(CCc2ccc(cc2)C(=O)O)=O	1566
+c1cc(ccc1C(CCc2cc(OC)c(cc2)O)=O)O	1567
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CC[N+](=O)[O-]	1568
+C1CN(CCC12OCCO2)CCc3c(OC)cc4cccnc4c3	1569
+C1CN(CCC12OCCO2)CCc3c(OC)cc4cccnc4c3	1570
+c1cc(ccc1CCC(NCCc2cc(OC)cc(OC)c2)=O)F	1571
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CCN	1572
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3cc(ccc3C)CCN)n2)=O	1573
+FC(F)(F)COc1cc(ccc1F)CCN	1573
+FC(F)(F)COc1cc(ccc1F)CCN	1574
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CCN	1575
+c1c(OC)cc(cc1CCN)OC	1575
+COc1cc2c(cc1CC=O)nccc2	1576
+c1(c(c(CC=O)ccc1)OC)OC	1576
+FC(F)(F)c1ccc(cc1)-c2sc(CCCc3cc(C)c(OCC(=O)OCC)cc3)c(C)n2	1577
+c1c(OC)c(Cl)ccc1CCl	1578
+c1c2c(cc(c1)CCl)N(c3c(nccn3)S2)COC	1579
+c1c(CCl)c2c(ccc(OC)c2)cc1	1580
+c1(cc(cc2c1OCO2)CCl)OC	1581
+COc1cc(cc(OC)c1Cl)-c2cc(CCl)ccn2	1582
+c12cc(ccc1cc(CCl)cc2)C	1582
+COc1cc(cc(OC)c1Cl)-c2cc(CCl)ccn2	1583
+c1cc(ccc1CCl)-c2[nH]c3ncnc(NCc4ccc(nc4)OC)c3c2	1584
+c1cc(ccc1C)S(=O)(=O)Oc2c(ccc(CCl)c2)OC	1585
+ClCc1c(F)ccc(I)c1C	1586
+C1CC1C(Oc2cccc(c2)CCl)C	1587
+CC(C)(C)c1cc(c(OCc2ccccc2)cc1)CCl	1588
+CC(C)(C)[Si](C)(C)Oc1c(OC)ccc(c1)CCl	1589
+c1cc(ccc1N(Cc2ccc(cc2)C#CCCCCCCCC)C(=O)C)C=CC(=O)OCC	1590
+c1cc(ccc1)CNC(=O)N(CC)Cc2c(ccc(-c3cnc(OCC)cc3)c2)-c4cc(CC(OCC)=O)ccc4OC	1591
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)C(OCC)OCC	1592
+C[Si](C)(C)c1ccc(cc1)CN(CCc2cc(ccc2)C(F)(F)F)C(=O)c3c4[nH]ccc4cc(Cl)c3F	1593
+c1ccccc1COC(NC2CCN(C3CCC(N(Cc4ccc(cc4)OC)C)CC3NC(C)=O)C2=O)=O	1594
+c1cc(ccc1)OCCC2(CCN(CC2)Cc3cc(c(cc3)OCC=C)Cl)C(OCC)=O	1595
+C1CN(CCN1c2cc(ncn2)O)Cc3ccccc3C	1596
+c1c(F)cc(cc1CC2NC(OC2C3N(Cc4ccccc4C3)Cc5ccc(cc5)OC)=O)F	1596
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	1597
+C1CN(CCN1c2ncccc2)Cc3cc4ccc(C)cc4cc3	1597
+c1cc(ccc1CN2CC(C2)C(=O)O)-c3onc(-c4cc(C#N)c(OC(C)C)cc4)n3	1598
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	1599
+C1CN(CCO1)Cc2cc([N+](=O)[O-])c(cc2)[N+](=O)[O-]	1600
+C1CN(CCO1)Cc2cc(c(Br)cc2)F	1600
+C1CCN(C1)Cc2ccc(cc2)NC(=O)c3ccc(Cc4cc(cc5c4oc(C(C)C)c5)Cl)o3	1601
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	1601
+C1CN(CCN1c2ncccc2)Cc3cc4ccc(C)cc4cc3	1601
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cccc(CN(C)C)c4)nc12	1601
+c1cc(ccc1)OCCC2(CCN(CC2)Cc3cc(c(cc3)OCC=C)Cl)C(OCC)=O	1601
+c1cc(ccc1SC)CN2CCN(CC2)CCO	1601
+c1cc(ccc1)CN(C)Cc2ccc([N+](=O)[O-])c(c2)OC	1602
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CN3CCCC3=O)cc1)Br)CC	1603
+C1CCC1N(Cc2ccc(cc2)N3CCN(CC3)C(C)=O)S(=O)(=O)Cc4ccccc4	1604
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(OC)=O)CN3C(=O)c4ccccc4C3=O)[N+]([O-])=O	1605
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C	1606
+c1cc(ccc1C(NCc2c3c(nc(cc3)NCc4oc(C)cc4)ccc2)=O)F	1607
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	1608
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	1609
+c1ccccc1COC(NC2CCN(C3C(CC(CC3)NCc4ccc(cc4)OC)NC(C)=O)C2=O)=O	1610
+c1cc(ccc1)-c2nc3c(cc(OC)c(c3)CNC4C(NCCC4)c5ccccc5)s2	1611
+c1cc(ccc1)-c2nc3c(cc(OC)c(c3)CNC4C(NCCC4)c5ccccc5)s2	1612
+CCCN(CCC)CCCCN1CCc2c(ccc(CNCc3n(ccn3)C)c2)C1	1613
+C1CC1NCc2c(Cl)ccc(c2)CCNC(C)=O	1614
+CCCN(CCC)CCCCN1CCc2c(ccc(CNCc3n(ccn3)C)c2)C1	1614
+FC(F)(F)c1ccc(cc1)CNCc2cc(ccc2Br)OC	1615
+c1ccccc1CCNCc2cc(OC)ccc2OCCCN(C)C	1616
+c1cc(ccc1)Oc2ncccc2NCc3c(O)cccc3	1617
+c1c2c(cc(c1)CNc3c4ccccc4nc(c3)C)N(c5c(nccn5)S2)COC	1618
+CC1(C)C(C)(C)OB(O1)c2c(CNc3ccccc3)ccc4ccccc24	1619
+c1cc(c(CNc2cc(c(Cl)cc2)NC3=C(C(=O)CCC3)C)cc1)C	1620
+ClC(Cl)=C(Cl)c1cc(CN=[N+]=[N-])cc(C)c1	1621
+[N-]=[N+]=NCc1ccc(c(c1)F)C#N	1622
+c1cc(ccc1Oc2cc(ccc2)CN)OC	1623
+CC(C)(C)OC(N1CCC(CC1)Nc2ccccc2CN)=O	1624
+C(c1cc(C#N)cc(-c2onc(n2)-c3ncccc3)c1)N	1625
+c1(Cl)cncc(Cl)c1COC2OCCCC2	1626
+c1c(C)c(c(cc1COC)C)Oc2nc(cc(NC(CC)CC)c2C)C	1627
+Cc1cccc(C)c1-c2c(C)c(COS(=O)(=O)C)ccc2	1628
+CC(C)(C)OC(COc1ccc(cc1COS(=O)(=O)C)Cl)=O	1629
+c1cc(ccc1OCC)COc2cc(C=O)ccc2	1630
+CC(C)(C)OC(N1CCCC(c2cc(-c3c(cccc3O)OCc4ccc(cc4)C)nc(N)n2)C1)=O	1631
+c1cc(ccc1-n2ccc3ccccc23)OCc4ccc(cc4)C#N	1632
+c1cc(ccc1COc2cc(I)cc(Br)c2)OC	1633
+CC(C)(C(=O)OCC)c1ccc(cc1)OCc2ccccc2C(OCC)=O	1634
+c1ccc(OCc2nc3c(cccc3)cc2)cc1COc4cc(ccc4)C#N	1635
+c1(c(cc(C#N)c(c1)F)F)COc2cc(c(Cl)cc2)Cl	1636
+c1(c(cc(C#N)c(c1)F)F)COc2cc(c(Cl)cc2)Cl	1637
+CC(C)(C)OC(NC(C(=O)N(c1ccc(cc1)OC)C)Cc2cccc(CO)c2)=O	1638
+CC(C)(C)CN1C(N(C)c2nc(-c3c(C)ccc(CO)c3)ccc12)=O	1639
+C1CC1C(Oc2cc(ccc2)CO)C	1640
+FC(F)(F)c1cc(CO)cc(-n2nnnc2C)c1	1640
+c12c(cc(cc1sc(Br)n2)CO)F	1640
+c1cc(ccc1F)CCc2ccc(cc2C(OC)=O)CO	1640
+c1c(OC)c(c(cc1-c2nccc(CO)c2)OC)Cl	1641
+C(O)c1c(F)ccc(I)c1C	1642
+CC(C)c1cccc(C(C)C)c1CO	1642
+Nc1cc(c(CO)cc1Cl)OC	1642
+c1c(OC)c(Cl)ccc1CO	1642
+FC(F)(F)c1cc(cc(c1)COS(=O)(=O)C)-n2c(C)nnn2	1643
+c1cc(ccc1Cc2c(C)cc(cc2)OC)C	1644
+c1ccccc1CN2CCCc3c2cc(Cc4c(C(C)C)ccc(Br)c4)cc3	1645
+c1cc(ccc1)Cc2cc(OC)c(c(c2)Br)OCCOC	1646
+CC(C)(C)OC(Nc1cc(C)c(c(C)c1)Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)=O	1647
+c1(ccc(Br)c(Cc2cc3c(OCCO3)cc2)c1)I	1648
+c1(ccc(Br)c(Cc2cc3c(OCCO3)cc2)c1)I	1649
+O(c1c(Cc2cc3c(s2)cccc3)cc(Br)c4c1cccc4)C	1650
+c1(cc(cc(OC)c1OC)Cc2ccc(cc2)OC)OC	1651
+C1COCCN1c2cc3c(nc(C)n3Cc4cccc(C)c4F)c(C(=O)OC)c2	1652
+FC(F)(F)c1c(c(Cn2c(nc3c2cc(N4CCOCC4)cc3C(OC)=O)C(F)F)ccc1)C	1653
+c1cc(ccc1)S(=O)(=O)C(=Cc2cc(-c3ncn(C)c3-c4ccc(cc4OCC5CC5)F)ncc2)C#N	1654
+c1cc(ccc1)S(=O)(=O)C(=Cc2cc(-c3ncn(C)c3-c4ccc(cc4OCC5CC5)F)ncc2)C#N	1655
+C1CN(CCN1c2cccc(Cl)c2)CCC=Cc3ccc4c(c3)CCC(N4)=O	1656
+c1cc(ccc1O)C=NNc2nnc(Cl)c(C3CCC3)c2	1657
+c1(C)cc(ccc1[N+]([O-])=O)C=NO	1658
+CC(C)(C)OC(=O)N(C)Cc1cc(F)c(C=NO)cc1	1659
+CC1(C)c2cc(c(F)cc2B(O)O1)C=NO	1660
+FC(F)(F)C1(CC(C)(C)c2c(C=O)cccc2)OC1	1661
+C1CC1COc2c(-c3c(-c4nccc(C=O)c4)ncn3C)ccc(c2)F	1662
+c12c(F)cc(C=O)cc1sc(Br)n2	1662
+c12c(F)cc(C=O)cc1sc(Br)n2	1663
+CC(C)n1c2cc(C=O)ccc2nn1	1664
+CCCN(CCC)CCCCN1CCc2cc(C=O)ccc2C1	1665
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2cc(C=O)c(Cl)cc2	1665
+O=S(=O)(N(c1cccc(c1)C=O)Cc2cccnc2)CC	1665
+c1ccccc1-c2sc3c(cc(C=O)c(OC)c3)n2	1665
+c1cc(ccc1NS(=O)(=O)C)C=O	1666
+c1ccccc1C(c2cc(c(N3CC(C)OC(C3)C)c(c2F)F)C=O)=O	1667
+O=Cc1cc(ccc1Cl)CCNC(C)=O	1668
+CC(C)(C)OC(COc1c2c(C(CCC2)NS(=O)(=O)c3ccc(cc3)-c4ccccc4)ccc1)=O	1669
+FC(F)(F)c1cc2N(CCCC(c2cc1C)N=[N+]=[N-])C(=O)OC(C)(C)C	1670
+FC(F)(F)c1c(cc2C(N)CCCN(C(OC(C)(C)C)=O)c2c1)C	1671
+FC(F)(F)c1c(cc2C(N)CCCN(C(OC(C)(C)C)=O)c2c1)C	1672
+O(C(=O)CCCc1ccccc1N(C(c2cc(c(cc2)Cl)Br)=O)C)C	1673
+O(C(=O)CCCc1ccccc1N(C(c2cc(c(cc2)Cl)Br)=O)C)C	1674
+C1CN(CCN1)c2cccc3n(ccc23)S(=O)(=O)c4c5ccccc5ccc4	1675
+C1CNCCN1c2c3c([nH]c(C(OC)=O)c3)ccc2	1676
+O=S(=O)(N(CCO)c1c(C2CC2)cc3c(nn(-c4ccc(C)cn4)c3C(NC)=O)c1)C	1677
+C(Oc1c2c(C(=O)N(C2=O)c3ccc(cc3)CC(OCC)=O)c(c4c1cccc4)OCC)C	1678
+CC(C)OC(CN1C(N(C(N(C)C1=O)=O)c2c(cc(c(N3C(c4c(C3=O)c(F)ccc4)=O)c2)F)Cl)=O)=O	1679
+c1c(OC)c(ccc1)N2C(=Nc3cccc(Cl)c3C2=O)CCl	1680
+CC(C)(C)OC(=O)NC(C(NC1C(Nc2c(cccc2C1)N3CCCC3=O)=O)=O)CC(C)C	1681
+CC(C)Nc1ccc(cc1)C(C(=O)Nc2ccc(cc2)-c3cc(C)ncc3)C	1682
+O=S(=O)(CCCCC)NC(=O)c1cc(c(NC(=O)C)cc1)N(C)Cc2ccc(Cl)cc2Cl	1683
+c1c(NC(C)=O)ccc2OCc3n(cc(C(=O)OC)n3)-c12	1683
+CC(C)N1C(=O)C(CC)(CC)c2cc(NC(C)=O)ccc12	1684
+c1(NC(=O)C)c(Cl)cc(F)c(OCC)c1Br	1684
+c1cc(ccc1NC(=S)N)F	1685
+c1cc(ccc1-c2nc(C)ns2)NC(=S)N	1686
+NC(Nc1cc(ccc1OC)Br)=S	1687
+C(N)(Nc1c(cccc1)OCCC)=S	1688
+C(N)(Nc1c(cccc1)OCCC)=S	1689
+c1ccccc1C(NC(Nc2ccccc2OCCC)=S)=O	1690
+CC(C)(C)c1nn(C)c(c1Cl)C(Nc2c(c(nc(c2)-c3ccccc3Cl)OC)[N+](=O)[O-])=O	1691
+CC(C)(C)OC(=O)N(C1CC(CCC1)c2c[nH]c3ccc(NC(=N)c4sccc4)cc23)CC	1692
+c1cc(NC(CC(Nc2ccccc2OC)=O)=O)cc(c1Oc3ccnc4cc(sc34)-c5ncn(CCC)c5)F	1693
+C1CCCCN1CC(Nc2ccc(cc2)C(=O)N3CC4(CC3CC(C)(C)C4)C)=O	1694
+CC(C)(C)c1cc(c(c(c1)NC(C(=O)c2c3ccccc3c(cc2)OCCN4CCOCC4)=O)OC)Cl	1695
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4c(cc(cc4)NC(=O)C5CCOC5)C#N	1696
+CC1(C)CC2(CC(C1)N(C(c3ccc(cc3)NC(=O)CCl)=O)C2)C	1697
+c1cc(c(cc1Cn2c3cccc(NC(=O)CCl)c3cc2C(=O)OCC)Cl)Cl	1698
+c1cc(ccc1C(C)C)C2=NC(=O)N(c3ccc(cc23)OCC#C)Cc4cc(NC(CCl)=O)ccc4	1698
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)Nc2cc(Cl)c(OCC(OCC)OCC)cc2	1699
+C(OCCCl)CC(Nc1ccc(cc1C)C(=O)OC)=O	1700
+c1cc(ccc1-c2cc(C)ncc2)NC(C(c3ccc(cc3)[N+]([O-])=O)C)=O	1700
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4ccc5[nH]c(cc5c4)C(CO)C	1701
+C1CCCC1CC(Nc2cc3c(cc2)n(cc3Cc4c(cc(C(=O)O)cc4)OC)C(=O)C)=O	1701
+CC(C)(C)OC(NC(C(Nc1ccc(cc1)CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O)=O)CC(C)C)=O	1701
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)Nc2cc(Cl)c(OCC(OCC)OCC)cc2	1701
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5c(ccc(c5)NC(=O)CN(C)C)C)=O)n2	1701
+c1cc(ccc1C(C)(C)C(Nc2cc(ccc2)OCCOC)=O)S(=O)(=O)C=CC#N	1701
+c1ccccc1C(CC)C(Nc2ccc(c(C(=O)N)c2)I)=O	1702
+CC(C)(C)OC(N(c1c(NC(COc2ccc(cc2)CC3SC(=O)NC3=O)=O)ccc(SC)c1)C)=O	1703
+c1cc(ccc1F)CC2CN(CCC2)C3CCC4CN(CC34)C(=O)Nc5cc(-c6n(nnn6)C)cc(CC)c5	1704
+CC(C)(C)c1ccc(cc1)NC(N2C3CN(CC2CC3)c4ncccc4Cl)=O	1705
+C1CCCC1NC(Nc2ccc(cc2)-c3nn(CC)cc3-c4c5cc[nH]c5ncc4)=O	1706
+CC(C)(C)OC(N1CCC(CC1)NC(=O)Nc2c(c(c(cc2I)C)F)F)=O	1707
+c1cc(ccc1-c2nnnn2C)NC(=O)NCCCN3CC(CCC3)Cc4ccc(cc4)F	1708
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(NCCO)=O)=O	1709
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(NCCO)=O)=O	1710
+c1cc(ccc1-c2nnnn2C)NC(=O)NCCCN3CC(CCC3)Cc4ccc(cc4)F	1710
+CC(C)(C)CCNC(Nc1cc(c(Br)cc1F)-c2c(nc3c(cnc(SC)n3)c2)C)=O	1711
+c1ccccc1COC2CCCCC2NC(Nc3c(c(S(=O)(=O)N)c(Cl)cc3)O)=O	1712
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	1713
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	1714
+CC(C)(C)c1cc(n(n1)-c2ccccc2)NC(=O)Nc3cc(Oc4c5cc(OC)c(cc5ncn4)OCCOC)ccc3	1715
+CN(C)CCCOc1ccc(Cl)cc1NC(Nc2ncc(C#N)nc2)=O	1716
+CN(C)CCNc1ncc2C=C(C(=O)N(c2n1)OC)c3cc(NC(=O)Nc4cc(c(cc4)OC)Cl)ccc3Cl	1717
+c1cc(ccc1N(CCCl)CCCl)NC(=O)Nc2cccc(c2)NC(CCN(C)C)=O	1718
+CC(C)S(=O)(=O)c1ccc(NC(=O)N(C)C)cc1C#N	1719
+CC(C)(C)OC(Nc1c(cc(cc1)OCC)C)=O	1720
+CC(C)(C)OC(Nc1ccc(c(-c2ccc(cc2C)C(=O)CC)c1)C)=O	1721
+CC(C)OC(Nc1c(C(OC)=O)ccc(Br)c1)=O	1722
+C1CCCC1OC(=O)Nc2cc3c(cn(C)c3cc2)Cc4ccc(C(=O)OC)cc4OC	1723
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(=O)Oc5ccccc5)=O	1723
+c1cc(ccc1)OC(=O)Nc2cc(-c3n(nnn3)C)ccc2	1723
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)-c3nnnn3C	1723
+c1(cc(Cl)cc(c1NC(c2n(-c3c(Cl)cccn3)nc(Br)c2)=O)Cl)NC(=O)OC	1724
+CN(C)CC1Cc2ccc(cc2CC1)NC(c3[nH]cc(-c4ccc(cc4)Cl)c3)=O	1725
+c1cc(ccc1S(=O)(=O)N2CCC(C)(C)CC2)NC(c3ccc([N+](=O)[O-])o3)=O	1726
+c1cc(ccc1)C(=O)c2ccc(C(=O)Nc3cccc(c3)C=CC(OCC)=O)o2	1727
+c1cc(ccc1)C(=O)c2ccc(C(=O)Nc3cccc(c3)C=CC(OCC)=O)o2	1728
+Cc1cc(cc(C)c1NC(=O)c2sccc2NS(=O)(=O)c3ccccc3)C	1729
+CC(C)C(N1CCN(CC1)c2ccc(NC(c3ncccc3)=O)cc2Cl)=O	1730
+CC(C)(C)OC(=O)N=C1NC2(c3c(F)ccc(NC(=O)c4ccc(cn4)Cl)c3)C(CCS1)C2	1731
+c1cc(ccc1OC(F)(F)C)NC(=O)c2cc(c(nc2)Cl)Br	1732
+c1(Cl)c(C(Nc2c(cc(C)cc2)O)=O)cc(Cl)s1	1733
+c1cc(ccc1NC(c2ccccc2)=O)Cc3cn(C)c4ccc(C(=O)OC)cc34	1734
+FC(F)(F)Oc1cc(ccc1)C(=O)Nc2c(cc(Cl)c(Oc3c(C#N)c4sc(NC(=O)C5CC5)nc4cc3)c2)F	1735
+CC(C)(C)c1nc(cc(c1)C(=O)Nc2ccc(c(-n3ccn4c3cc(-c5cccnc5)n4)c2)C)Cl	1736
+O(C(=O)CCCc1ccccc1NC(c2ccc(Cl)c(Br)c2)=O)C	1737
+c1cc(ccc1)COc2c(C(Nc3c(C)cccc3)=O)cc(c(OCc4ccccc4)c2)Br	1737
+CC1(C)C(C)(C)OB(O1)c2c(C)c(cc(F)c2)NC(c3c(cc(C4CC4)cc3)F)=O	1738
+C1CCCN1c2c(c(nc(Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)n2)C)CC(OC)=O	1739
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(OCc3ccccc3)ccc2NC(c4c5ccccc5ccc4)=O	1740
+c1c(Cl)c(c(cc1)Cl)C(=O)Nc2ccc(cc2)CC(C(OC)=O)NC(c3c(cccc3Cl)C)=S	1740
+C1CN(CCN1c2cccc3nc(C)ccc23)CC(C)c4cc(NC(=O)c5c(F)cccc5)ccc4	1741
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc3c(nc(s3)-c4ccccc4NC(c5cccc(-c6[nH]nnn6)c5)=O)c2	1741
+CC(C)(C)OC(n1c2c(cn1)ccc(c2)NC(=O)c3ccccc3O)=O	1741
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5cc([N+]([O-])=O)ccc5C)=O)n2	1742
+c1cc(ccc1NC(Nc2ccc(cc2)C#N)=S)NNC=O	1743
+c1ccccc1C(=S)Nc2c(Cl)c(ccc2)C	1744
+FC(F)(F)C(=O)NCC#Cc1cc(NCC2(CCCCC2)O)ccc1	1745
+O=S(=O)(c1ccc(cc1)NCC2CCCC2)C	1746
+c1ccccc1COc2ccc(cc2)CCCNc3ccc(cc3)C(OCC)=O	1747
+FC(F)(F)c1cc(c(cc1)-c2ncnc(Oc3c4c(ccc3)sc(NC(C)=O)n4)c2)NCC5CCCCC5	1748
+CC(C)CNc1cc(ccc1NC(=O)COc2cc(ccc2)OCC)O	1749
+c1cc(ccc1)S(=O)(=O)NC(=O)c2cc(c(NC(C)=O)cc2)NCc3ccc(cc3)OCc4ccccc4	1750
+c1cc(ccc1C(C)C)C(=O)c2cc(OCC#C)ccc2NCc3cc(ccc3)[N+](=O)[O-]	1750
+c1ccccc1CCNc2c(cc(cc2S(=O)(=O)N)C(O)=O)NCc3ccccc3	1750
+FC(F)(F)c1cc(c(CNc2cc(c(cc2)-c3ccc(cc3C)Cl)Cl)cc1)Br	1751
+FC(F)(F)c1cc(-c2c(cc(cc2)NCc3c(cccc3F)F)F)n(C)n1	1752
+CC(C)(C)NS(=O)(=O)c1cc(ccc1S(=O)(=O)CC)NC=O	1753
+FC(F)(F)c1ccccc1-c2nc(O)c3cc(ccc3c2)NC(CNCCO)=O	1754
+c1cc(ccc1-c2c(c3cc(Br)c(cc3o2)NS(=O)(=O)C)C(OCC)=O)F	1755
+C1CN(CCC12Oc3c(C(=O)C2)cc(NS(=O)(=O)C)cc3)C	1756
+CC(C)(C)OC(NCc1cccc(NS(=O)(=O)C)c1)=O	1756
+O=S(=O)(Nc1ccc2n(CC(OCC)=O)c(cc2c1)C)C	1756
+c1cc(ccc1Cl)-n2c(c3c(n2)cc(NS(=O)(=O)C)c(C4CC4)c3)C(=O)NC	1756
+CC1(C)C(=C(c2ccc(cc2)F)c3c(O1)cc(cc3)NS(=O)(=O)C)F	1757
+FC(F)(F)S(=O)(=O)Nc1cc(c(C)cc1C)N2C(CC2)=O	1758
+O=S(=O)(c1c(CC2CN3CCC2CC3)cc(F)cc1)Nc4ccc5c(c4C(=O)OC)OCC6CC56	1759
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C3C4C(CN(C(=O)CC)C4)C3	1760
+C1CCCC1c2n3N=C(NC(=O)c3c(C)n2)c4cc(NS(=O)(=O)c5cc(C#N)ccc5)ccc4OCCC	1761
+FC(F)(F)C(NC1C2N(CCC1)c3c(cc(NS(=O)(=O)c4ccccc4)c(Cl)c3)Oc5ccccc25)=O	1761
+FC(F)(F)Oc1cc(ccc1)S(=O)(=O)Nc2cc(c(cc2)OC)C3CN(CC3)C(=O)CC	1761
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)NS(=O)(=O)c4ccc(cc4)C(C)C	1761
+C1CN(CCO1)c2nc(-c3c(c(ccc3)NS(=O)(=O)c4c(F)ccc(c4)F)F)c(-c5ccnc(n5)Cl)s2	1762
+c1c(Cl)c(c(cc1)Cl)Nc2ccccc2CS(=O)(=O)NCCOCCO	1763
+S(C)(Cc1cccc(c1)Nc2nc(ncn2)Cl)(=O)=NC(OCC)=O	1764
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(c(cc2)C)-c3cc(ccc3)Nc4ncccc4Br	1765
+c1c(cccc1O)Sc2c(cc(C)cc2)Nc3ccnc4nc(C)ccc34	1766
+c1c(cccc1O)Sc2c(cc(C)cc2)Nc3ccnc4nc(C)ccc34	1767
+FC(F)(F)c1ccc2c(ccnc2c1)Nc3ccc(cc3)S(=O)(=O)N4CCN(CC4)c5cc(CCC)cc(CCC)c5	1768
+c1nc2cc3cc(c(OC)cc3cc2c(Nc4cc(c(Cl)cc4Cl)OC)c1C#N)O	1769
+c1cc(ccc1C(C)(C)C#N)Nc2c3c(ccc(Br)c3)ncc2[N+](=O)[O-]	1770
+c1cc(ccc1Nc2nc(C(N)=O)c(NC(=O)c3ccc(cc3)F)s2)OC	1771
+COc1cc(ccc1Cl)Nc2scc(n2)C(=O)O	1772
+C1CN(CCN1C)c2ccc(cc2)Nc3nc(c(C(c4cc5OCOc5cc4)=O)s3)N	1773
+CC(C)(C)OC(NCCCn1c(Nc2cc(OC)c(c(OC)c2)OC)nc3c1cc(cc3)C(OC)=O)=O	1774
+O=S(=O)(Cc1cc(Nc2nc(c(cn2)F)-c3c(cc(c(F)c3)F)F)cc(c1)F)CCC	1775
+C1CC(CCN1c2cc(OC)c(Nc3nc(c4c(n(C5OCCCC5)cn4)n3)NC6CCCCC6)cc2)N7CCCC(C7)O	1776
+c1cc(ccc1N2CCN(CC2)C)Nc3ncc4C=C(C(=O)N(Cc5c(F)cccc5C6CC6)c4n3)Br	1777
+CC(C)(C)OC(=O)n1c(cc2ccccc12)-c3cnc(Nc4cc(ccc4)O)o3	1778
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	1779
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	1780
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	1781
+C1CC(CCN1C)Oc2cccc3ncnc(c23)Nc4ccc(c(C)c4)O	1782
+Clc1ccc(N=C=S)cc1-c2c(cncc2)F	1783
+OB(O)c1cc(cc(C(O)=O)c1)N=C=S	1783
+C1COCCN1CC2COc3c(cccc3)N2N	1784
+FC(F)(F)c1ccc(O)c(NC(=O)c2ccncc2I)c1	1785
+c1c(OC)cc(cc1NC(c2c(cccc2F)F)=S)OC	1786
+C1CC(CCO1)Oc2ccc(cc2C=O)I	1787
+c1ccccc1C(=O)c2c(OC(=O)C)cc3c(CCC3C(OC)=O)c2	1788
+c1c(OC)c(c(cc1C)OC)OC(=O)C(C(C)OC)Br	1789
+C1CC1(Oc2cc([N+](=O)[O-])c(cc2Cl)F)C(=O)OCC	1790
+C[Si](C)(C)CCOCn1c(-c2ccc(cc2)OCC(Nc3ccc(cc3)C#N)=O)nc4N=CN(C(=O)c14)CCC	1791
+CC(C)(C)OC(=O)COc1ccccc1CC(c2c3ccccc3n(CCCCC)c2)=O	1792
+c12c(Cl)cccc1CCCO2	1793
+ClC(Cl)=CCOc1cc(c(OCOC)c(c1)Cl)C	1794
+c1cc(ccc1)C(=O)COc2ccc(cc2C)CC(N)=O	1795
+C(OC(CCc1c2ccc(cc2sc1)OCCc3nc(NC)ccc3)=O)C	1796
+c1ccccc1CCCOc2cc(ccc2OC)C3CNC(=O)C3	1797
+CC1(C)C(c2c(C1)c(ccc2)OCCCBr)N3CCCCC3	1798
+Cc1cc(cc(C)c1OCCCBr)-c2nc3c(o2)nc(Cc4ccc(cc4)Cl)nc3OCCC	1798
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(OCCCCBr)c3	1798
+c1cc(ccc1OCCCCl)-c2ccc(cc2C)C#N	1798
+CN(C)CCCOc1cc(-c2c(-c3c(C)cccc3)ccc(C(=O)OC)n2)ccc1Cl	1799
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3CCCc4cc(OCCN(C)C)ccc34)C(C)C	1799
+c1cc(ccc1OCCCN2CCCC2)-n3c(cc(n3)CC)CC	1800
+n1c(NCCCOc2cc3c(cc2)n(cc3)C(C(OC)=O)C)c(cnc1Cl)F	1801
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(Br)c2)CO	1802
+C1CN(CCC1)CCOc2ccccc2CCNS(=O)(=O)c3ccc(cc3)Oc4ccc(cc4)F	1803
+C1(=O)c2ccccc2C(=O)N1CCCOc3cc4c(N(C(=O)C(C)(C)C(=O)N4C)CC)cc3	1804
+c1cc(ccc1COC(NCCCOc2ccc3c(CN(C)C(C(C3)CC(OC)=O)=O)c2)=O)[N+]([O-])=O	1805
+FC(F)(F)c1ccc(cc1)-c2csc(CCCOc3cc(c(OCC(OC)=O)cc3C4CC4)C)n2	1806
+CC(C)(C)OC(=O)N1CCc2c(cc(OCC3CCN(CC3)c4ccncc4)cc2)C1	1807
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CCOc3ccc(CCC(OC)=O)c(C)c3	1808
+c1cc(ccc1OC(C)C)-c2nc(c(o2)C)COc3cc(C)c(cc3)CC(C(OC)=O)OCC	1809
+c1cc(ccc1Cc2noc(c2)-c3ccc(N)nc3N)OCc4nccc(c4)Cl	1810
+c1cc(ccc1Cc2noc(c2)-c3ccc(N)nc3N)OCc4nccc(c4)Cl	1811
+c1cc(ccc1OCc2nn3ccnc3cc2)C4=C(OC(C)(C)C4=O)c5ccc(cc5)OC	1812
+c1(ccc(Cl)cc1-c2c(c3c(nc(nc3cc2)N)N)Cl)OCc4ncccc4	1813
+c1cc(ccc1OCc2nn3ccnc3cc2)C4=C(OC(C)(C)C4=O)c5ccc(cc5)OC	1814
+c1ccnc(N2CCC(F)C2)c1COc3c(c(ccc3)O)C=O	1815
+c1ccnc(N2CCC(F)C2)c1COc3c(c(ccc3)O)C=O	1816
+n1c(cc(COc2c(OC)cc3c(c2)ncnc3Nc4c(cc(Cl)cc4)F)cc1)Br	1817
+Cc1cc(C(c2cc(OCc3cccc(c3)OC)ccc2)=C)ccc1OC	1818
+n1c(cc(COc2c(OC)cc3c(c2)ncnc3Nc4c(cc(Cl)cc4)F)cc1)Br	1819
+CC(C)c1[nH]nc(c1Cc2ccccc2OCc3cccc(Cl)c3)OC4OC(C(C(C4O)O)O)CO	1820
+C1NCC2C(C)c3cc(Cl)c(cc3C12)OCc4cccc(F)c4	1821
+c1ccccc1COc2ccc3c(CCC45C(CN(C(=O)C)C4)CCC35)c2	1822
+CC(C)(C)OC(CC1c2n(c3ccc(OCc4cc(C(F)(F)F)c(CC5CCCCC5)cc4)cc3c2)CC1)=O	1823
+CC(C)(C)OC(CC1c2n(c3ccc(OCc4cc(C(F)(F)F)c(CC5CCCCC5)cc4)cc3c2)CC1)=O	1824
+O(C)c1c(ccc(C=O)c1[N+](=O)[O-])OC	1825
+c1ccccc1COc2cc3c(cc2)ccc(C#N)c3	1826
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1S(=O)(=O)N2CCOCC2)F	1827
+C1CCC(C1)c2cc(C(=O)c3c(sc(C)c3C)Cc4ccc(cc4)Br)ccc2OS(=O)(=O)c5cc(O)c(C(O)=O)cc5	1828
+CC(C)(C)[Si](C)(C)Oc1c(cc(Oc2c(cc(cc2Cl)[N+](=O)[O-])Cl)cc1)C(C)C	1829
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)C(CCC)C(OCC)=O)Oc3ccc(cc3)F	1830
+FC(F)(F)c1ccc(Oc2cc(ccc2)C(C(=O)O)C)c(c1)C=O	1831
+Clc1cccc(c1)Oc2cc(OC)ccc2C3CN(C(=O)C3)c4cccc(C(=O)N)c4	1832
+Clc1cc(cc(Oc2ccc([N+]([O-])=O)cc2C=O)c1)CC(OC)=O	1833
+C1N(CC1)C(=O)c2cnc(cc2)Oc3cc(C(Nc4nn(C)cc4)=O)cc(OC(C)COC)c3	1834
+c1cnccc1-c2nc(Oc3c(C)cccc3)c(cn2)C(OCC)=O	1835
+C1CCCN1CCOc2ccc(cc2)N(Cc3cccc(OC4OCCCC4)c3)S(=O)(=O)c5c(C#N)cccc5	1836
+c1cc(ccc1S(=O)(=O)NCC(CC(=O)Nc2ccccc2)c3ccc(cc3)Cl)C	1837
+FC(F)(F)c1nn(cc1CO)Cc2cc3CCC(NS(=O)(=O)c4c(cccc4)OC)c3cc2	1838
+FC(F)(F)c1ccc(N2CCCCC2)c(NS(=O)(=O)c3ccc(cc3)C)c1	1839
+c1cc(ccc1S(=O)(=O)C)S(=O)(=O)Nc2c(C(c3cnccc3)=O)cc(cc2)Cl	1840
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(c3c(n4CCCc4c3)cc2)C(=O)OC	1841
+c1cc(ccc1-c2nc(N)sc2C)OC	1842
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	1843
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	1844
+FC(F)(F)c1cc(-c2ccc(cc2)C)n(-c3ccc(F)c(Cl)c3)n1	1845
+Clc1ccc2oc(-c3cc(ccc3)C(=O)OCC)cc2c1	1846
+c1cc(ccc1C=2C(C)(C)OC(=C(C#N)C#N)C=2C#N)-n3nnc(-c4ccc(cc4)N(CC)CC)c3	1847
+c1c(C)c(c(cc1OC)C)-c2csc(N)n2	1848
+c1cc(ccc1F)-c2scc(n2)-c3ccc(cc3)C	1849
+c1cc(ccc1)-c2ccc(cc2F)-c3noc(-c4ccc(cc4)CO)n3	1850
+Clc1ccc(c(Cl)c1)-c2c(CN)c(nc(-c3cc(c4ccn(c4c3)C)OC)n2)N	1851
+c1cc(ccc1-c2nc(on2)-c3ccc(cc3)OCc4ccccc4)Oc5ccncc5	1852
+c1cc(ccc1Oc2ncccc2)-c3nc(on3)-c4ccc(cc4)OCc5ccccc5	1852
+c1cc(ccc1)-c2ccc(cc2F)-c3noc(-c4ccc(cc4)CO)n3	1853
+c1ccccc1Oc2ccc3c(nc(o3)-c4ccc(C=O)cc4F)c2	1854
+c1ccccc1Oc2ccc3c(nc(o3)-c4ccc(C=O)cc4F)c2	1855
+c1cc(ccc1-c2cc([nH]n2)C(OCC)=O)OC	1856
+c1cc(ccc1)COc2cc(Oc3ccc(cc3)-c4oc(C)nn4)cc(c2)C(OC)=O	1857
+c1cc(cc(c1)-c2nnc(o2)-c3cc(OC)ccc3)I	1858
+c1cc(ccc1-c2oc(nn2)-c3cccc(OC)c3)I	1858
+c1cc(ccc1C(OC)=O)-c2cc[nH]n2	1859
+c1cc(ccc1-c2noc(COC(=O)C)n2)CN(C3C(NCCCC3)=O)S(=O)(=O)c4ccc(cc4)Cl	1860
+FC(F)(F)c1c(c2c3c(c1)NC(=O)C(N3C(P(OCC)(OCC)=O)CC2)=O)-n4cccc4	1861
+N1(c2cc(C(=O)OC)cc(c2)-n3nnnc3)C(C=C(C=C1)C)=O	1862
+n1nncn1-c2cc(-c3ccccc3OC)cc(C(=O)OC)c2	1863
+CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c3ccc(cc3)C)n1	1864
+c1cc(ccc1-n2c(ccn2)N)OC	1865
+c1(nc2c(c(F)ccc2)[nH]1)Cl	1866
+C1CCCCN1CCOc2c3c(nc(O)cc3)c(cc2)Cl	1867
+O(n1nnc2c1cccc2)c3nc(c(cn3)C(=O)N)NCc4cnn(C)c4	1868
+c12cc3c(OCO3)cc1c(Cl)ncn2	1869
+c12cc3c(OCO3)cc1c(Cl)ncn2	1870
+n1c2c(c(O)nc1)cc3OCOc3c2	1871
+N(C(N)=O)Cc1cccc2c1C(N(C3C(=O)NC(CC3)=O)C2=O)=O	1872
+C1CN(CCN1CCc2cc(ccc2)N3C(=O)c4cc(ccc4C3=O)C)c5c6c(nc(C)cc6)ccc5	1873
+C1CC(c2c(F)c(cc(F)c12)Br)=O	1874
+c1c(c(c2NC(C(=O)Nc2c1)=O)C)C	1875
+C1(C(=O)Nc2cc(CC)c(cc2N1)CC)=O	1876
+CN(C)CC1CC1c2cc3[nH]cc(C#N)c3cc2	1877
+C(CC#N)c1c(scc1)CCCO	1878
+c1(CO)c(C)onc1-c2ccncn2	1879
+C1CCCN1CCN2C(c3c(C)c(C=C4C(Nc5c4cc(F)c(N)c5)=O)[nH]c3CC2)=O	1880
+c1cc(ccc1)-n2c3c(cccc3)c(C=O)c2N4CCCCCC4	1881
+C1CCCCN1c2ncnc(COC)c2C	1882
+c1cc(ccc1OC)-c2c(-c3ccccc3OC)oc4ncnc(NCCCCCC(=O)OC)c24	1883
+c1ccccc1Cn2c3cccc(C(=O)OC)c3c4c(cccc24)O	1884
+c1ncc2cc(Br)ccn12	1885
+CC(C)(C)OC(NCCCCNc1c2c(cc(cc2)OCc3ccccc3)ncc1[N+]([O-])=O)=O	1886
+c1ccccc1COc2ccc3c(c([N+]([O-])=O)cnc3c2)NCC(C)(C)N	1886
+c12cc[nH]c1cncc2Br	1887
+c1cc(ccc1CCc2c[nH]c(C(=O)OCC)c2)Cl	1888
+CC(C)Oc1ccc(-c2onc(-c3cccc4c3n(cc4CN5CCC(CC5)C(=O)OCC)C)n2)cc1Cl	1889
+CC(C)c1nc(nc(c1)N2CCOCC2)-c3ccc(cc3)Cl	1890
+CC1(C)CC(O)(CCC1)CNc2ncnc3c2CN(CC3)c4ncc(C)cc4	1891
+c1n[nH]c2cnc3cc(OC)c(OC)cc3c12	1892
+c1cc(ccc1C#N)-n2c3cc(C)nc(C)c3nc2C	1893
+c1cc(ccc1Br)S(=O)(=O)N2c3ccccc3Cn4c(C2)ccc4C(=O)NCc5cnccc5	1894
+CCCCCCCCCCCCc1ccc(C(O)=O)s1	1895
+c1cc(ccc1)N2CCN(CC2)S(=O)(=O)c3sc(cc3)-c4cc(c(O)nc4C)CC	1896
+O=S(=O)(N)c1cc(c(CCOC)s1)C	1897
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(S(=O)(=O)NC3CC3)c(C)n2CC4CCCCC4	1898
+FC(F)(F)C(=O)Nc1cc(ccc1F)N(c2nc3c(nc(N)s3)cc2)C	1899
+FC(F)(F)C(=O)Nc1cc(N(c2nc3sc(NC(C4CC4)=O)nc3cc2)C)ccc1F	1900
+FC(F)(F)C(=O)Nc1cc(N(c2nc3sc(NC(C4CC4)=O)nc3cc2)C)ccc1F	1901
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(Nc4c(C#N)c(CC)nc(N)n4)C)=O	1902
+C1CCCCC1N2C=C(C(c3cnc(nc23)NCCCn4ccnc4)=O)C(OCC)=O	1903
+C1CC2(CCN1c3cnn4c(c3Cl)nnc4CC5CC5)C=Cc6ccccc26	1904
+CC(C)(C)OC(N1CC2(CC(C2)n3cc(Br)cn3)C1)=O	1905
+CC(C)(C)OC(N1CC2(CC(C2)n3cc(Br)cn3)C1)=O	1906
+C[Si](C)(C)CCOCn1c2ncnc(-c3cn(C4(CC(C4)C(OC)=O)CC#N)nc3)c2cc1	1907
+c1c2c(cccc2ccc1F)Cn3c4ccc(cc4c(CC(OCC)=O)c3C(OCC)=O)F	1908
+c1(F)cccc(F)c1C(Nc2cn(Cc3c(OCc4ccccc4)cc(cc3)Cl)nc2)=O	1909
+FC(F)(F)c1nc(-n2cnc(I)c2)nc(-c3cc(Cl)c(Cl)cc3)c1	1910
+c12ccccc1NC(C2=Cc3[nH]cc(C)c3C)=O	1911
+FC(F)(F)c1c(C(N2CCN(CC2)c3sc(cn3)C(OC)=O)=O)cccc1	1912
+C1COCCC1Nc2ncc3C=C(c4cc(C(=O)NC5CC5)ccc4C)C(=O)N(C)c3n2	1913
+c1cc(ccc1Nc2nc(c(C#N)cn2)N)C(NCCCn3ccnc3)=O	1914
+c1cc(ccc1-c2c(-c3ccccc3)nc4c(CCCN4CCCCCCC(OCC)=O)n2)C	1915
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c4c(ncc3C#N)cc(c(NC(=O)C)c4)OCC	1916
+c1cc(ccc1)NC(n2c3ccc(cc3cc2)Nc4cc(ncc4C#N)N)=O	1917
+C1CN(CCN1c2c3c(ncn2)cc(OC)c(c3)OC)c4ncc(cn4)O	1918
+C1COCCC1Nc2c(cnc(-c3c4cnccn4nc3)n2)[N+]([O-])=O	1919
+C1CN(CCC1Oc2cc(OC)cc3c2c(Nc4n[nH]c(CC(O)=O)c4)ncn3)C	1920
+c1cc(ccc1)Nc2c(Oc3c(cc(c(C)c3)OC)C(C)C)cnc(N)n2	1921
+c1c(N)cc(cc1)Oc2c3c(cc(OCCOC)c(OC)c3)ncn2	1922
+C(c1c(nc(nc1N)C)Cn2ccnc2-c3cccc(F)n3)CC	1923
+O1CCOC12Cc3sc4ncnc(Nc5cc(c(F)cc5)Cl)c4c3CC2	1924
+O1CCOC12CCc3c4c(sc3C2)ncnc4Cl	1925
+CC(C)(C)OC(N1CCN(CC1)CCCNc2ncc(c(-c3cc4ccc(cc4s3)C(NC)=O)n2)C)=O	1926
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4ccnc(n4)NC5CC5)C	1927
+CC(C)(CCNc1nc(-c2n3ccnc(C)c3nc2-c4ccc(F)cc4F)ccn1)O	1928
+c1cc(ccc1N2C(C)c3c(N(C2=O)c4cccc(C#N)c4)nc(nc3)Nc5cccc(CCOC(C)=O)c5)OC	1929
+c1c(cc(cc1)Nc2ncc(c(n2)NCc3cc(ccc3)OC)Cl)CCCO	1930
+FC(F)(F)C(c1c(-n2ccnc2)cccc1)Oc3nc(N)nc(Cl)c3	1931
+FC(F)(F)COc1nc(nc(CCl)c1)N	1932
+Cc1sc(CNc2c(C)c(nc(n2)OCCCc3[nH]c4c(cccc4)n3)Cl)c(n1)C	1933
+O(n1nnc2c1cccc2)c3nc(Nc4cccc5c4ccn5C)c(cn3)C(=O)N	1934
+FC(F)(F)c1ncc(cc1)-c2cc(nc(n2)-n3cnc(c3)I)C	1935
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	1936
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	1937
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	1938
+c1c(C)c(C(Nc2ncc(-c3cc(-c4cnn(C)c4)ccc3Cl)nc2)=O)cnc1	1939
+c1(C)cccc(C)c1-c2cnc(c(-c3cc(C)cc(c3)C)n2)-c4cc(C)cc(C)c4	1940
+c1(C)cccc(C)c1-c2cnc(c(-c3cc(C)cc(c3)C)n2)-c4cc(C)cc(C)c4	1941
+c1cc(ccc1C#N)-c2sc(Nc3cccc(c3)NS(=O)(=O)C)nc2	1942
+c1(cc(cc(C)c1)-c2nc(cnc2-c3cc(C)cc(c3)C)Cl)C	1943
+C1CN(CCN1c2ncc([N+]([O-])=O)c(Cl)c2)C	1944
+FC(F)(F)c1ccc2c(nc(SCC)c(c2N(C)C)C(NCc3cc(ccc3)F)=O)c1	1945
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3c(-c4ccccc4OCC3)nc(N)n2	1946
+c1nc2c(c(N)c1)c(OC)ccc2OC	1947
+c1cc(ccc1C(=NNc2cc(nc(CC)n2)-c3ccccc3OC)C)N(C)C	1948
+CN(C)CCNS(=O)(=O)c1cc(Nc2cc(nc3c2cccc3)C)ccc1	1949
+c1ccccc1CCNC(C(Nc2ccc(Oc3c4c(ncc3)cc(c(OC)c4)OCc5ccccc5)c(c2)F)=O)=O	1950
+n1c(COC(CCCCC)=O)nc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)cc1	1951
+n1c(COC(CCCCC)=O)nc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)cc1	1952
+n1c(nc(Cl)cc1)COC(CCCCC)=O	1953
+c1cc(ccc1OCCCCCCCC)-c2ncc(cn2)C(OCC)=O	1954
+c1ncn(c1)CC(c2ccc(c(c2)Cl)Cl)CCOC3OCCCC3	1955
+c1ncn(c1)CC(c2ccc(c(c2)Cl)Cl)CCOC3OCCCC3	1956
+c1ccc2cc3c(cc2c1)cc(cc3)Cn4c(CCCC)nc(Cl)c4C=O	1957
+O=S(=O)(NC)Cc1ccc(cc1)Oc2nc(nc(c2)CN)C	1958
+FC(F)(F)C(=O)NCC1CCC(CC1)Nc2c3cc(OC)ccc3nc(n2)C=Cc4ncccc4	1959
+FC(F)Oc1cc(ccc1)Nc2c3cc([N+](=O)[O-])ccc3nc(-c4nccnc4)n2	1960
+C1CC(CCN1C(=O)CN(C)C)Oc2cc3c(ncnc3Nc4ccc(c(Cl)c4)OCc5nccnc5)cc2	1961
+c1cc(ccc1Sc2c(c(ncn2)CC)F)Cl	1962
+FC(F)(F)c1n(nc(C(=O)OCC)c1)Cc2c(ccc(Br)c2)OCc3ccccc3	1963
+C1CC(CCN1C)c2nn3c(NCCNc4ncc(cc4)C#N)nc(-c5ccc(cc5Cl)Cl)cc3n2	1964
+CC(c1nnc2n1nc(cc2)Cl)c3c(cc4ncccc4c3F)F	1965
+c1(-c2cn3nc(ccc3n2)Cl)cc(ccc1)C#N	1966
+c1(c(NC(=O)OC(c2ccccc2F)C)c(-c3cc(C)c(cc3)Br)on1)C	1967
+c1cccc(c1C)-c2n3c(c(C)n2)c(nc4ccc(F)cc34)C	1968
+c1ccccc1-c2ccc3n-4c5c(cc(cc5c3c2)-c6ccccc6)C(C)(C)c7cc(ccc-47)B(O)O	1969
+OB(O)c1cc(c(cc1)S(=O)(=O)C)F	1970
+c1cc(ccc1)COc2c(cc(cc2C)C#Cc3cc(cc(c3C=O)OC)OC)C	1971
+FC(F)(F)c1cc(NC(=O)c2cc(c(cc2)C)C#Cc3n4ncccc4nc3)ccc1CN5CCN(CC5)CCO	1972
+c1cc(ccc1C#Cc2cc3c(C(=O)CCC3(C)C)c(O)c2)CC(=O)OC	1972
+c1ccccc1COc2nnc(C#Cc3cc(Cl)ccc3)cc2OCc4ccccc4	1972
+C[Si](C)(C)C#Cc1ccc(cc1F)N2CC(Cn3nnc(C)c3)OC2=O	1973
+C(OC(CCCc1ccc(O)c(C#N)c1)=O)C	1974
+c1(c(NC(C)=O)ccc(C#N)c1F)C	1975
+c1c2c(ccc(C)c2)[nH]c1C#N	1976
+CC(C)Nc1nc(cc(n1)C#N)C	1977
+CC(C)Nc1nc(cc(n1)C#N)C	1978
+c1cc(ccc1OC)C(=O)C(Br)C	1979
+C1CC(CCN1Cc2ccccc2)c3ccc(cc3)OC	1980
+c1cc(ccc1)COc2c(cccc2-c3ccccc3)C(c4cc(ccc4)-c5c(cccc5)OC)C	1981
+c1cc(ccc1C(N)=NO)CC2C3C(=O)N(Cc4ccccc4)C(=O)C3C(C)(C)N2C	1982
+CC(C)Nc1nc(C)cc(C(N)=O)n1	1983
+CC1(C)CC(CC(C)(C)N1CC(F)(F)F)(c2ccc(c(c2)C=3CCC(C)(C)CC=3)NC(=O)c4nc(c[nH]4)C#N)O	1984
+CC(C)(C)c1cc(cc(c1N(C)C)Cl)C(O)C#C	1985
+c1cc(ccc1C(c2cc(OC)c(c(c2)OC)OC)O)OC	1986
+c1cc(ccc1F)C(O)c2ccc(cc2Cl)Cl	1986
+c1cc(ccc1)COc2c(C(c3cc(-c4c(OC)cccc4)ccc3)=C)cccc2-c5ccccc5	1987
+c1cc(ccc1)CN2CCC(=CC2)c3ccc(cc3)OC	1988
+CC(C)(C)OC(=O)N1CCC(c2ccc(cc2)Oc3ccccc3)=CC1	1989
+C1CC(CCC1c2c(F)c(F)c(C=3CCC(CC=3)c4ccc(c(F)c4F)OCC)cc2)CCCCC	1990
+CC1(C)CCC(c2cc(C(=O)C)ccc2N)=CC1	1991
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	1992
+c1cc(ccc1CN2C(c3c(cnc(C(=O)N(C)C)c3CC2)OC)=O)OC	1993
+C1CC(CCC1(C)C)c2cc3c(nc(C)nc3s2)C(=O)N4CCC(CC4)(O)C	1994
+c1cc(ccc1-c2cc(-c3n(c(cc3C)C(=O)N(C)OC)C)ccc2OC)S(=O)(=O)N	1995
+c1cc(ccc1)CN(O)C(=O)c2nccc(N(C)Cc3ccccc3)c2	1996
+CC(C)(C)ON=C1c2c(OC(=C1)c3ncn4c(c3)ccc4)ccc(c2)C(=O)NCCN5CCOCC5	1997
+CC(C)(C)OC(=O)COc1ccc(cc1)CNC(c2ncnc(c2)C(=O)NCc3ccc(c(C)c3)F)=O	1998
+c1ccccc1-c2ccc(cc2)C(=O)Nc3ccsc3C(NCCN4CCCCC4)=O	1999
+[nH]1c(C(NC2CN(c3cccc(C(=O)OC)c3)C2=O)=O)c(Cl)c(c1C)Cl	2000
+[nH]1c(C(NC2CN(c3cccc(C(=O)OC)c3)C2=O)=O)c(Cl)c(c1C)Cl	2001
+c1cc(ccc1)-c2nc3n(ccc(c3)NC(c4c(cnn4Cc5ccccc5)C(=O)OCC)=O)n2	2002
+c1cc(ccc1NC(=O)c2c(Cl)c(c(C)[nH]2)Cl)C#C	2003
+c1cc(ccc1CO)NC(=O)c2ccc(Cc3cc(cc4c3oc(C(C)C)c4)Cl)o2	2004
+FC(F)(F)c1cc(ccc1)N2C(=C(C(c3c(cc(cc3)C#N)C(O)=O)N(C)C2=O)C(=O)OCC)C	2005
+CC(C)(C)c1cc2c(cc(C(=O)O)cc2)cc1	2006
+CC(C)(C)OC(=O)N1c2c(cc(C(=O)O)cc2)CC1	2007
+CC(C)(C)ON=C1C=C(c2ncn3c(c2)ccc3)Oc4ccc(C(O)=O)cc14	2008
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)C(c5cc6ccc(C(=O)NC)cc6cc5)=O	2009
+c1cc(ccc1OC)C(=O)c2c(Cl)c(C)ccc2	2010
+c1c(OC)cc(cc1C(c2cc3c(cc[nH]3)cc2)=O)OC	2011
+C(c1cc2c(cc1)n(C)nn2)(=O)c3cc(OCC)c(OC)cc3	2012
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(c(F)c(c(C(=O)c4ccccc4)c3)F)N5CC(C)OC(C5)C	2013
+C[Si](C)(C)CCOCn1c2ccc(C(=O)c3ccccc3C#N)cc2cc1	2014
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)c4cccc(C)c4	2015
+Fc1cc(cc(F)c1C2CO2)S(=O)(=O)N(c3c(cc(C)cc3)C)CC(C)C	2016
+c1cc(ccc1C(C)N2CCC(c3ccccc3)(CCc4nnc(C)o4)OC2=O)C5=CC(=O)N(C)C=C5	2017
+c1cc(ccc1C(C)N2CCC(c3ccccc3)(CCc4nnc(C)o4)OC2=O)C5=CC(=O)N(C)C=C5	2018
+C1CCC(C1)C(C(OC)=O)c2cc(CC(=C)C)c(O)cc2	2019
+c1(cc(ccc1[N+]([O-])=O)CC(OCC)=O)OC	2020
+CC(C)Cc1c(O)cc(cc1)O	2021
+C[Si](C)(C)CCOC(=O)C(c1c(CCC(=O)c2cccc(C=Cc3nc4c(ccc(Cl)c4)cc3)c2)cccc1)CC	2022
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(OCC)=O)n1	2023
+C1CN2CCC1C(C2)C(c3ccccc3)(O)CCc4ccc(cc4)C(OC)=O	2024
+CC(C)(C)CCc1cccc(N)c1C#N	2024
+c1cc(cc(C)c1OC)CCCCO	2024
+CN(C)CCCc1ccc(c(c1Cl)C)Br	2025
+CC(C)(C)OC(=O)c1ccc(cc1)CCCCO	2026
+c1(OC)c(OC)c(cc2nc(ccc12)CCl)OC	2027
+o1c(c(c2c1ccc(Br)c2OC)C)CCl	2028
+C(CCCC)CCOc1ccnc(c1C)CCl	2029
+C1COCCN1Cc2c(F)cc(Br)c(c2)F	2030
+CC(C)(C)[Si](C)(C)Oc1cccc(CN2CCCC2)c1F	2031
+C1CCCCN1Cc2[nH]c3cc(Oc4sc5ccccc5n4)ccc3c2	2032
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5cc(CN)ccc5-c4n3)c1F)F	2033
+C(OC)(c1ccccc1-c2ccc(CN)nc2)=O	2034
+ClC(Cl)=C1C2CCC1c3c2cccc3CNC4CC4	2035
+CC(C)(C)C1CCC(CC1)Oc2ccc3c(c2)ccc(CNC45CCC(CC4)(C(OCC)=O)C(C5)O)c3	2036
+c1(C)cc(cc(C)c1NC(OCC)=O)CNc2cccc(c2)F	2037
+c1c2nc(cc(Cl)c2ccc1OC)CO	2038
+CC(C)(C)c1ccc(cc1)Cn2c(cc3c2ccc(OC)c3)COC(C)=O	2039
+c1(c(cc(OC)c(COCCCCl)c1)F)F	2040
+c1cccc2nn(nc12)-c3cc(C)cc(c3O)COCCC(C)C	2040
+C(Cc1c(CO)cccc1)CCCCCCC	2041
+c1(OC)c(OC)c(cc2nc(CO)ccc12)OC	2042
+C(CCCC)CCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2	2043
+C(CCCC)CCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2	2044
+c1(cc(cc(OC)c1OC)Cc2ccc(cc2)OC)OC	2045
+c1cc(ccc1Cc2c(c3c(OC(C3)C)c(Br)c2)Cl)OCC	2046
+c1cc(ccc1CC)Cc2ccccc2OC	2047
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C=Cc2cc(C)c(c(C)c2)-c3c(cncc3C)C	2048
+c1cnccc1-c2cccc3c2C(C(=O)N3)=Cc4c(C)c(CCC(O)=O)c(C)[nH]4	2049
+c1c2NC(CCc2cc(c1)C=CCCCl)=O	2050
+c1cc(ccc1S(=O)(=O)N2CCOCC2)C=Cc3ccc(c(OCOC)c3)OCOC	2051
+Clc1ccc(C=NO)c(F)c1C(=O)OC	2052
+c1cc(ccc1Cc2c3c4c(cnc(c4COC)C=NO)[nH]c3ccc2)Cl	2053
+c1(C=O)cc2c(occ2CCNC(C)=O)cc1	2054
+c12ccc(C=O)cc1c3ccccc3n2C	2055
+FC(F)(F)c1cc(cc(C=O)n1)CC	2056
+c1c(Oc2nc3c(s2)cccc3)ccc4cc(C=O)[nH]c14	2057
+c1cc(ccc1Cc2c3c([nH]c4cnc(c(COC)c34)C=O)ccc2)Cl	2058
+Clc1cc(Br)c2c(cccn2)c1	2059
+C1CN(CCC1c2ccc(C(C)=O)cc2Cl)C(=O)C	2060
+C(C(c1ccc(c(Cl)c1)OC)=O)CC(=O)O	2061
+C1CN(CCC1c2ccc(C(C)=O)cc2Cl)C(=O)C	2062
+c1(cc(I)c(C=O)cc1Br)F	2063
+c1c(cc(c(c1)CC)I)Br	2063
+c1cc(ccc1)-c2c(cc(I)cc2)OC	2063
+c1(cc(I)c(C=O)cc1Br)F	2064
+FC(F)(F)c1c(F)c(Cl)cc(I)c1	2065
+C1COCCN1C2CCN(CC2F)c3cccc(-c4n(C)c5ccccc5n4)c3	2066
+c1cc(ccc1[N+]([O-])=O)N2CC3CCC(COc4ccc(cc4)F)CN3CC2	2067
+FC(F)(F)c1cc(C(NCC(=O)NC2CN(CC2)C3CCN(C3)c4ccc(cc4)C(OC)=O)=O)ccc1	2068
+CC(C)(C)OC(=O)C1C(N(CC)c2c(CC1)cc(c(c2)OC)N3CCNCC3)=O	2069
+c1(cc(cc(F)c1Br)S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C)F	2070
+Cc1c(Cl)cc(N)c(N)n1	2071
+OB(O)c1cc(N)cc(c1)C(O)=O	2072
+c1(cc(C#N)c(C)cc1N)O	2072
+c1ccccc1COc2c(cc(C(=O)C)c(c2)N)OC	2072
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)N	2073
+C1(C)Cc2c3c(c(N)c(c2F)F)C(C(=CN13)C(=O)O)=O	2074
+CC(C)C(=O)Nc1c(N)cc(C(OCC)=O)cc1	2074
+c1(ccc(N)cc1-c2nc(O)c3c(n2)c(CCC)ccn3)OCC	2074
+CC(C)N1c2cc(ccc2C(C)(C)C1=O)N	2075
+C1CCC(C1)c2c(OC(=O)OC)cc(c(CCC(=O)OCC)c2)N	2076
+C1CN(CCC12Oc3c(cc(N)cc3)C(=O)C2)C	2076
+FC(F)(F)C(NC1C2c3ccccc3Oc4c(cc(c(N)c4)Cl)N2CCC1)=O	2076
+C1CN(C(=O)CC)CC1c2c(ccc(N)c2)OC	2077
+CCOc1c(F)cc(c(N)c1Br)Cl	2078
+Nc1cc-2c(OCc3n-2cc(C(=O)OC)n3)cc1	2078
+CC1(C)C(N(c2c(N1)cc(N)cc2)C)=O	2079
+c1(NC(=O)C)c(Cl)cc(F)c(OCC)c1Br	2080
+c1c(NC(C)=O)ccc2OCc3n(cc(C(=O)OC)n3)-c12	2081
+c1cc(ccc1C#N)NCCN(S(=O)(=O)c2ccccn2)CC3CCCCC3	2082
+C1CN(CCC12Oc3c(C(=O)C2)cc(NS(=O)(=O)C)cc3)C	2083
+FC(F)(F)C(NC1C2N(CCC1)c3c(cc(NS(=O)(=O)c4ccccc4)c(Cl)c3)Oc5ccccc25)=O	2084
+c1cnccc1C=Cc2cc(ccc2)Nc3cc(ccc3)S(=O)(=O)N	2085
+c1c(I)cc(c(Nc2c(C(=O)OC)ccc3cncn23)c1)F	2086
+FC(F)(F)c1cc(ccc1)Nc2nccc3c([N+]([O-])=O)c(C)ccc23	2087
+c1(cc(C(=O)OC)c(cc1Br)O)F	2088
+S(C)c1ccc(O)cc1Cl	2089
+c1cc(ccc1O)C23CC2CN(C3)C(C)=O	2090
+c1cc(ccc1O)C23CC2CN(C3)C(C)=O	2091
+CC1(C2CN(C(=O)C12)CCCCCC)c3cc(ccc3)O	2092
+O=S(=O)(C)c1cc(C(O)=O)cc(O)c1	2092
+COc1c(C)ccc(c1)O	2093
+CC1(C)CC(=O)c2cc(O)ccc12	2094
+O=S(=O)(C)c1cc(C(O)=O)cc(O)c1	2095
+CC1(C)CC(=O)c2cc(O)ccc12	2096
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(CC(C)C)c3ccc(cc3)C(OC)=O)C	2097
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCOc3ccc(cc3)C	2098
+O=C(OCC)C(C(=O)OCC)CCCOc1cc(ccc1)C#CCCCCCC	2099
+c1cc(ccc1C)S(=O)(=O)NCCc2c(OCCN3CCCCC3)cccc2	2099
+C1CC1CCOc2ccc(cc2)OC3C(=O)NCC3	2100
+c1cc(ccc1OCc2nc3cccnc3cc2)C(=O)Cc4ccncc4	2101
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(C)c(CC(=O)OC)cc3)C)c(C(C)C)n2	2102
+c1cc(ccc1OCCc2ccc(cc2)COC)CC(CC)C(OC)=O	2103
+C1CC(CCCC1)COc2cc(ccc2)C=O	2104
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3c(cc(OC(C)(C)C(OC)=O)c(Cl)c3)Cl)c2	2105
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(C)c(CC(=O)OC)cc3)C)c(C(C)C)n2	2106
+c1cc(ccc1F)OCc2cc(ncc2)Cl	2107
+CC(C)(C)OC(=O)NC1CN(CC1)C(CN(c2ccc(cc2)Oc3ccccc3)C(=O)C=Cc4ccccc4)=O	2108
+c1c(cc2nsnc2c1)Oc3c(cccn3)C(OCC)=O	2109
+C1CC1NS(=O)(=O)c2c(OC)ccc(Oc3c(cc(cc3Cl)CC4C(=O)NC(=O)S4)Cl)c2	2110
+C1CC(CCC1)NS(=O)(=O)c2cc(C(O)=O)c3c(c2)OCCO3	2111
+CN(C)Cc1cc(-c2cc3c(cc2F)n(nc3)C4OCCCC4)cnc1	2112
+O=S(=O)(c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1)N	2112
+c1(CO)c(c(cnc1)-c2cc3CCC(N(c3cc2F)C)=O)C	2112
+c1(CO)c(c(cnc1)-c2cc3CCC(N(c3cc2F)C)=O)C	2113
+c1cc(ccc1CC(OCC)=O)-c2c(C)cc(cc2)-c3onc(C)c3NC(OC(c4c(F)cccc4)C)=O	2114
+O=S(=O)(c1ccc(-c2cc(ccc2F)Br)c(OC)c1)CC	2115
+C(=C(C(=O)O)OC)c1cc(c(cc1)-c2cc(ccc2)N(C(=O)NCCCCCCC)C)OCCCC	2116
+c1ccccc1COC(N2CCCC2c3ccc(cc3)-c4cc(NC(C5CC5)=O)ccc4)=O	2117
+Clc1cc(c(cc1)-c2cc(c(cc2)CC)[N+]([O-])=O)F	2118
+CC(C)(C)c1cc2C(=O)C(Cc2c(-c3ccccc3)c1OCC(C)C)C	2119
+CC(C)(C)c1cc2ccc3ccc(-c4ccc(cc4)Cl)c5ccc(c1)c2c35	2119
+CC1(C)c2cc(-c3cc(Cl)ccc3)ccc2NC1=O	2119
+c1ccccc1-c2ccc(C)c(C#N)c2	2119
+c1cc(ccc1)-c2cc3c(NC(C3)=O)cc2	2120
+c1cc(ccc1F)C=CC(F)(F)C(O)c2c(C)noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC	2121
+c1ccccc1C(C)CNCc2c(noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)C	2121
+c1ccccc1C2C(C2)C(Nc3c(-c4ccc(cc4)-c5ccc(cc5)C6(CC6)C(=O)OCC)onc3C)C	2121
+c1cc(ccc1-c2cc3OCOc3cc2-c4ccc(cc4)F)S(=O)(=O)N	2122
+c1(c(cc(OC)c(c1)C(=O)O)-c2ccccc2OCC)Cl	2123
+C1CCCCN1c2cc(c(cc2)[N+](=O)[O-])-c3nccc(c3)C=O	2124
+CC(C)(CC1(CCN(C(O1)=O)C(C)c2ccc(cc2)-c3nnc(C)cc3)c4ccccc4)C#N	2125
+C1CC1c2c(cncc2F)-c3cc4CCc5nnc(C)n5-c4c(F)c3	2126
+CCOC(c1c(n(C2COCC2)nc1)-c3ccc(cc3[N+]([O-])=O)-c4c(cc(OCC)nc4C)C)=O	2126
+CC(C)(C)C(NC(=O)c1ccc([n+](c1)[O-])-c2c(c(F)cc(C(NC3CC3)=O)c2)C)C	2127
+FC(F)(F)c1c(c(c(COc2cnc(cc2)-c3ccc(cc3C)CC(=O)OC)cc1)C(OC(C)(C)C)=O)O	2128
+c1cc(ccc1C(CC)(CC)c2cc(C)c(C=CC(CC)(CC)O)cc2)-c3ncc(cc3)CC(OCC)=O	2129
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cncc(c3)NC(Cc4ccccc4)=O	2130
+CC(C)(C(O)=O)c1cncc(-c2ccc3c(CCC(=O)N3C)c2)c1	2131
+FC(F)(F)Oc1cnc(cc1)-c2ccc(C(O)(C(C)(C)C)c3cncnc3)c(C)c2	2132
+O=S(=O)(C)NCc1cc(F)cc(c1)-c2c([N+]([O-])=O)c(ccn2)N	2133
+c1cc(ccc1-c2nc(N)sc2C)OC	2134
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	2135
+c1cc(ccc1)-c2noc3c2c(nc(C(=O)OCC)c3O)-c4cn(Cc5ccccc5)nn4	2136
+c1cc(ccc1C(C)(C)O)-c2cnc3NC(=O)CN(CCC4CCOCC4)c3n2	2137
+CC(C)(C)OC(=O)NC1(CC1)c2ccc(cc2)-c3c(-c4ccccc4)nc5-c6ccccc6Nc7ncccc7-n35	2138
+CC(C)(C)OC(NC(C)c1cc(no1)-c2[nH]c3c(ccc(c3)C(F)(F)F)n2)=O	2139
+CC1(C)OCC(CO1)c2cc(cnc2)-c3nc4cccc(-c5ccccc5)c4c(NCc6ncccc6)n3	2140
+c1cc(cc(c1)-c2c(C)nc3c(c(Cl)ccc3)n2)F	2141
+c1c(c(C=O)c(c(c1)-c2ccnc(Cl)n2)C)OC	2142
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)-c4c(F)cncn4)=O	2143
+CC(C)(C)OC(=O)N1CC=C(c2sc(nn2)-c3ccc(-n4cccn4)cc3OC)CC1	2144
+FC(F)(F)c1cc(ccc1OCCCOC2CCCCO2)B(OC(C)C)O	2145
+COB(O)c1cc(c(F)cc1)OC	2146
+OB(O)c1ccc(CCOC(Nc2cccc(C#N)c2)=O)c(CC)c1	2147
+c1(cc(cc(Cl)c1C)Br)Cl	2148
+c1ccccc1C2c3ccc(OC)cc3CCN2	2149
+c1ccccc1C2c3ccc(OC)cc3CCN2	2150
+c1cc(ccc1)C=2c3ccc(cc3CCN=2)OC	2151
+c1c(c(O)c(Cl)cc1)CC=C	2152
+FCC1(CF)Oc2c(cc(I)cc2)C(=C1)C(OCC)=O	2153
+O=S(=O)(c1cc(cc(C(O)=O)c1)N)C	2154
+c1(F)c(Br)cc(C=O)c(N)c1	2154
+c1cc(ccc1N)C23CN(CC2C3)C(C)=O	2155
+C1CC(CCN1C(=O)C)c2c(cc(C(=O)C)cc2)N	2156
+CC1(C)CC(c2cc(N)ccc12)=O	2157
+c1(cc(F)ccc1Oc2c3c(nc(cc3)Cl)ccc2OC)F	2158
+C1CNCCN1c2ccc3c(c(ccc3)Br)n2	2159
+CC(C)(C)OC(=O)NC1CCCN(c2ccc(Nc3c(cnc4ccc(nc34)-c5cc(c(c(F)c5)O)Cl)C(C)=O)cn2)C1	2160
+c1(cc2cc(OC)ccc2nc1Cl)[N+]([O-])=O	2161
+c1(cc2cccc(C)c2nc1Cl)[N+]([O-])=O	2161
+c1c2c(ccc(c2Oc3c(cc(F)cc3)F)OC)nc(O)c1	2162
+CC1(C)CC(=O)Nc2cc(ccc12)C(C(=O)OCC)CCCCC	2163
+C1(=O)c2c(NC1=O)c(c(Cl)cc2)C	2164
+c1(O)nnc(c2ccc(OC)cc12)-c3cc(F)ccc3	2165
+Clc1cccc(c1)-c2oc3C=CN(c4cc5c[nH]nc5cc4)C(c3c2)=O	2166
+CC(C)(C)OC(n1c2c(c(OC)ccc2)c(N)n1)=O	2167
+CC(C)(C)OC(=O)N1CCC(CC1)n2c(nc3c2ccc(C)c3)-c4ccccc4	2168
+CC(C)Cn1c2c(nc1COc3cccc(OCC)c3)ccc(O)c2	2169
+CC1(C)c2c(cc3[nH]c(SCc4ccccn4)nc3c2)C(C)(C)CC1	2170
+C1CC(CCN1C)Oc2cc(cc3ncnc(Cl)c23)OC	2171
+C1CN(CCC1Oc2cc(OC)cc3c2c(Nc4n[nH]c(CC(O)=O)c4)ncn3)C	2172
+c1(oc2c(c1)cc(C)cc2)C(=O)OCC	2173
+CC(C)(C)OC(=O)N1C(Cc2oc3ccccc3n2)CCCC1	2174
+FC(F)(F)c1cc2nc(oc2cc1)-c3c(I)cncc3	2175
+c1cc(ccc1)Cn2c(cc3nc(Cl)ccc23)-c4ncco4	2176
+Fc1cccc(F)c1-c2nc3c(s2)c(OC)cc(c3)OC	2177
+Fc1cccc(F)c1-c2nc3c(s2)c(OC)cc(c3)OC	2178
+c1c(OC)c2ccsc2c(F)c1	2179
+c1(cc(F)ccc1Oc2c3c(nc(cc3)Cl)ccc2OC)F	2180
+c1cc(ccc1OC)C(=O)c2cc3c(nc(nc3cc2)Cl)-c4cc(ccc4)Cl	2181
+c1cc(ccc1OC)C(=O)c2cc3c(nc(nc3cc2)Cl)-c4cc(ccc4)Cl	2182
+C1CCCC(n2c(OC)nc3c(nc(OC(CC)C)nc23)N)O1	2183
+CC1(C)CC(N(c2cc3[nH]c(nc3cc12)-c4[nH]nc5ccccc45)CC)=O	2184
+c1cc(ccc1OC)C(c2cc3c(nc(nc3cc2)O)-c4cccc(Cl)c4)=O	2185
+c1(c(c2[nH]ccc2cc1Br)C(=O)O)F	2186
+c1(cc2n[nH]cc2cc1Br)F	2187
+FC(F)(F)c1ccc(cc1C)C#N	2188
+c1cc(ccc1)-c2c(oc(n2)C)-c3ccc4n(c3)c(nn4)C(C)C	2189
+N#Cc1ncc(C)cc1[N+](=O)[O-]	2190
+FC(F)(c1ccc(C)cn1)CO	2191
+n1cc(c2cc(OC)c(cc2c1F)F)OC	2192
+c1cc(-c2c(C)ccc3c2ccnc3NCc4cc(OC)c(cc4)OC)cc5c1nc(NC)nc5	2193
+Cc1nc(c(cc1C(=O)OCC)C#N)NC2CCC(C(=O)O)C2	2194
+c1(cccc(F)c1)COc2nc3c(C(NCC3)=O)cc2	2195
+c1c(Cl)nc2c(C(NCC2)=O)c1	2196
+Nc1cc(OCC#C)c(OC)cc1C(=O)OC	2197
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C)cccc2F	2198
+CC(C)(C)OC(N1CC=C(CC1)c2c(C)cccc2F)=O	2199
+c1c(C)c(c(cc1OCC2CN(C)c3ccccc3O2)C)C(=O)Cl	2200
+CC(C)c1cccc(C(C)C)c1C(Cl)=O	2201
+C(NC(C)=O)Cc1cc2c(OCO2)cc1CC#N	2202
+CC(C)c1c(cc2OCOc2c1)CC#N	2202
+c1cc(ccc1)[Si](c2ccccc2)(Oc3cc(OC)c(c(c3)OC)CO)C(C)(C)C	2203
+O=S(=O)(O)c1cc(c(cc1OC)OC)N	2204
+c1cc(ccc1S(=O)(=O)N)-c2cc(-c3c(C)c(c(s3)C(OC)=O)C)ccc2OC	2205
+FC(F)(CNC(c1ncccc1C)=O)c2c(cc(Cl)cc2)Cl	2206
+CC(C)(C)OC(=O)NC1=NC(c2c(c(F)cc(c2)NC(=O)c3ncc(C#N)cc3C)F)(COC1)C(F)F	2207
+FC(F)(F)c1c2c(c(C3CCN(CC3)C(=O)C)cs2)ccc1	2208
+C1Cc2c(CC1)c(NC(=O)C)cc(F)c2C	2209
+Fc1c(F)c2c(c(NC(=O)C)c1)CCCC2	2209
+C[Si](C)(C)CCOCn1cc(nc1-c2ccc(cc2Cl)-c3c(cc(nc3)OCC4(CCC4)C(OCC)=O)C)C(F)(F)F	2210
+Clc1ccc(c(Cl)c1)-c2cnc(cc2C#N)N	2211
+CC1(C)Cc2c(O1)cc(cc2-c3cnc(N)c(c3C)C#N)Cl	2212
+FC(F)(F)c1c2c(n(c(n2)Oc3c(C)cc(Cl)cc3Cl)C)c(C(CC)CC)cc1	2213
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3sc(NC(=O)C4CC4)nc3cc2)c(Cl)cc1F)=O	2214
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3sc(NC(=O)C4CC4)nc3cc2)c(Cl)cc1F)=O	2215
+C1CN(CCN1C)c2c3nc(-c4[nH]nc5c4ccc(Br)c5)[nH]c3ccc2	2216
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3c(nc(N)s3)cc2)c(Cl)cc1F)=O	2217
+c1c(C(=O)OC)sc2c(F)ccc(OC)c12	2218
+C1CN(CCO1)c2ccc(c3nc(N)sc23)OC	2219
+c12C(CCc1c(cc(Br)c2F)F)O	2220
+c1cc(ccc1Oc2c3c(ccc2)c(c(nc3C#N)C(=O)OC)O)OC	2221
+C1CNCCN1c2c(cccn2)OC	2222
+c12CCCCc1nc(c(c2)[N+]([O-])=O)N	2223
+S(c1cc(Oc2c(nccc2)CC)c(N)nc1)c3ccccn3	2224
+O(c1c(OCC)cccn1)C	2225
+c1ccccc1-c2nnc(Cc3ccc(cc3)Oc4ncccc4-c5ccnc(n5)NC)c6ccccc26	2226
+c1cc(ccc1-c2c(O)nccc2)C(OC)=O	2227
+c1cc(ccc1-c2c(O)nccc2)C(OC)=O	2228
+CC(C)(C)OC(=O)N1CCc2c(cc(cc2)-c3c(cccn3)OCc4cc(C)ccn4)CC1	2229
+c1ccccc1COc2c3n(ccc2)cnc3	2230
+c1(-n2cc(nc2)CO)c(cc(cc1)Nc3nc(nc(Cl)n3)OC)OC	2231
+CC(C)c1ccc(nn1)N	2232
+C1C(CN1c2nc(C)nc(-n3nc(nc3C)C)c2)c4nc5ccccc5[nH]4	2233
+C1COCCN1c2cc3c([nH]c(n3)C(F)F)c(C(=O)OC)c2	2234
+C(c1cnn(c1)CCF)#Cc2cc(-c3cccnc3F)ccc2	2235
+FC(F)(F)c1nn(cc1C(N(C2CCN(CC2)c3nnc(c(C)c3C)-c4ccc(cc4)F)C)=O)Cc5ccc(cc5)OC	2236
+c1([N+]([O-])=O)ccc2c(cn(c2c1)C)C(=O)O	2237
+[nH]1c2c(c(C(=O)c3cc([N+]([O-])=O)ccc3)c1)cc(cn2)-c4cnccc4	2238
+CC(C)n1cc(-c2nc(N)ncc2)c(I)n1	2239
+Clc1cc(cc(Cl)c1)-c2ccn[nH]2	2240
+c1cnccc1-c2cc[nH]n2	2240
+C1CN(CCO1)C(c2c(n(C)nc2)C(=O)Nc3cc4n(nc(N5CCCC5)n4)cc3)=O	2241
+C1C(CN1c2ncnc3c2c(I)nn3C)F	2242
+n1(ncc2c(c(cnc12)C(=O)OCC)O)CC	2243
+FC(F)c1cc(c(cc1-c2ccnn2C(C)C)C(OC)=O)N	2244
+c1cc(nc(Cl)c1OCOC)C#N	2245
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	2246
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	2247
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	2248
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(C(=O)N)n(C)c2CC3CCCCC3	2249
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(N)=O)n(C)n4	2250
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(N)=O)n(C)n4	2251
+c1cc(ccc1Cn2nc(cc2-c3cc(C)c(Cl)cc3)C(Cl)=O)C	2252
+CC1CCCC(C)N1C(=O)c2csc(n2)Br	2253
+C1COCCN1CCNC(=O)c2cc(c([nH]2)C=O)C	2254
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(n(C)n4)C(Cl)=O	2255
+c1(CCC(OCC)=O)[nH]cc(c1)CCCC	2256
+ClCc1nc2c(cc3c(c2)CC4(c5cccnc5NC4=O)C3)cc1	2257
+ClCc1nc2c(cc3c(c2)CC4(c5cccnc5NC4=O)C3)cc1	2258
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc3c(n2)nc(-c4cccc(c4)[N+]([O-])=O)o3)=O	2259
+CC(C)(C)OC(=O)Nc1nc(CN2CCCC2)ccc1	2260
+CC(C)(C)OC(=O)N(C)CCCCN(Cc1c(C)cc(cn1)C)Cc2nccc3c2cccc3	2261
+O=C1c2ccccc2C(=O)N1CCCCN(C3c4c(CCC3)cccn4)Cc5nc6ccccc6n5C	2262
+CC(C)(C)OC(=O)N(C)CCCCNCc1c(C)cc(C)cn1	2263
+c1(N2CCOCC2C)nc(Cl)nc(CO)c1	2264
+c1c(ccc(C=Cc2occ(COc3cccc(c3)CCCn4nncc4)n2)c1F)F	2265
+c12cc3c(cc1nc(cc2)CO)CC4(c5cccnc5NC4=O)C3	2266
+c1ccccc1-c2cc3c(C(C(=O)N3)=Cc4[nH]c(c(C(=O)NCCCN(CC)CC)c4C)C)cc2	2267
+CC(C)(C)OC(=O)N1CC2(C1)OCc3c2cnc(C=NO)c3	2268
+CC(C)(C)OC(=O)N(CC(=O)OC(C)(C)C)c1nc(ccc1)C=NO	2269
+c1cc(ccc1-c2cc([nH]n2)C=O)OC	2270
+CC(C)(C)OC(N(c1cccc(n1)C=O)CC(OC(C)(C)C)=O)=O	2271
+c1cc(ccc1)C(c2ccccc2)C(=O)Nc3cnc(nc3O)C=O	2272
+O=Cc1csc(-c2c(cc(C)cc2)[N+]([O-])=O)n1	2273
+c1cc(ccc1C(C(=O)Nc2sc3nc(OC)ccc3n2)CC4CCCC4)S(=O)(=O)CC(C)=O	2274
+C1CC(CCN1C(Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)=O)(O)C	2275
+CC(C)(C)c1cc(n(-c2ccc(cc2)CC(OCC)=O)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	2276
+c1([nH]c2c(cccc2)n1)-c3n[nH]c4c3cc(I)cc4	2277
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(C(NCC(CO)O)=O)cnn14	2278
+C1COCCN1c2c3c4ccncc4[nH]c3ncn2	2279
+c1ccccc1Nc2c3ccc(Cl)nc3ncn2	2280
+FC(F)(F)c1c(sc(CNC(=O)OC(C)(C)C)n1)C#N	2281
+CC(C)(C)OC(=O)N1CCCC(c2cc(c(N)nc2)-c3n(-c4c(c(F)ccc4)F)nnn3)=CC1	2282
+C1CC(CCN1c2nc(Cl)c(CO)nc2Cl)=NOC3CCN(CC3)C(=O)OC(C)C	2283
+c1c(C(OC)=O)ncc(N)c1N	2284
+CC(C)(C)OC(=O)NC(C(Nc1cnc(nc1)Oc2cccc(C(C)C)c2)=O)C	2285
+c1cc(ccc1-c2cc(c(N)nc2)OCc3c(Cl)cccc3Cl)OCCN4CCOCC4	2286
+C1CCCCC1NC(C2(CC2)c3ccc(-c4ccc(C(NCC)=O)nc4)cc3F)=O	2287
+c1cc(ccc1)-c2nc(nnc2-c3cc4ccoc4cc3)N	2288
+CN(C)C(Cc1cc(cnc1)-c2cnc3N(C(=O)N)CCCc3c2)=O	2289
+C1CC(CCC1=O)n2ncc(c2)-c3cnc4[nH]cc(C(C)c5c(Cl)ccc(F)c5Cl)c4c3	2290
+C1CN(CCC1c2ccc(cc2)F)C(=O)c3cnc(cc3Nc4cc(C)ccc4Cl)O	2291
+c1cc(ccc1-c2n(cc(C(=O)N3CC4C(C3)C4)c2C)C)Cl	2292
+c1cc(ccc1-c2c(ncc(C(=O)NC3CCCCC3O)c2)Cl)Cl	2293
+C1CCCN1CCCNC(=O)c2c(c3c(C4c5ccccc5NC4=O)ncnn3c2)C	2294
+Brc1ccc(cn1)C(=O)Nc2ncc(C(Nc3ncc(cc3)Br)=O)cc2	2295
+FC(F)(F)c1cc(ccc1-c2c(C)c(c[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)C)F	2296
+COc1cnc2ccc(F)c(c2n1)CC#N	2297
+c1cc2ccc(nc2c(c1F)CC#N)OC	2297
+O(C)c1c(CCl)cnc(C)c1Cl	2298
+C(O)c1ccc(Br)c2oc(nc12)C	2299
+C(c1c2nc(oc2c(cc1)Br)C)=NO	2300
+O=Cc1c2nc(oc2c(cc1)Br)C	2301
+O=Cc1c2nc(oc2c(cc1)Br)C	2302
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CNc3cncc(c3)C)=O	2303
+O=S(=O)(Nc1c2c(cc(c1)N3CCOCC3)n(c(C)n2)Cc4c5c(ccc4)cccc5)C	2304
+C(C)OC(c1nc2n(cc(-c3[nH]nnc3)cc2)c1)=O	2305
+c1cc(ccc1Cc2oc(nn2)-c3c(c4C(=O)N(C)CCn4c3)OC)F	2306
+c1(c(nc2cc(OC)c(OC)cc2c1)Cl)C#N	2307
+c1c2c(ccc1OC)nc(Cl)c(C#N)c2	2308
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)OCC)n2	2309
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)OCC)n2	2310
+FC(F)(F)c1nn(c(c1)CO)-c2ccc(cc2)[N+]([O-])=O	2311
+Clc1cccc(CNc2cc(n(C)n2)C=O)c1	2312
+CC1(C)CC(CC(C)(C)N1C)Oc2ccc(C(Nc3ccc(cc3)NC(Nc4n(nc(c4)C(C)(C)C)C)=O)=O)nc2	2313
+CC(C)(C)OC(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	2314
+C1CC(CCC1n2cc(nc2)C=O)C	2315
+c1cc(ccc1-c2c(c3cc(Br)c(cc3o2)NS(=O)(=O)C)C(OCC)=O)F	2316
+c1cc(ccc1-c2c(C(OCC)=O)c3cc(Br)c(N)cc3o2)F	2317
+C1CC(CCN1C(=O)c2nc(-c3cc(Br)c(c(c3O)Br)O)cs2)Cc4ccccc4	2318
+CC(C)N1CCN(CC1)C(=O)c2nc(c(s2)-c3c4c(ccc3)cccc4)C	2318
+FC(F)(F)c1cc(ccc1)CC(CN2C(=O)c3ccccc3C2=O)NC(=O)c4sc(c(c4)-c5ccnn5C)Cl	2319
+c1cc(ccc1Oc2ccnc3c2sc(c3)C(=O)NCCCC(=O)OCC)NC(Nc4cc(ccc4F)C)=O	2319
+C(Nc1c2c(Br)csc2ccn1)c3ncccc3	2320
+O1CCOC12Cc3sc4ncnc(Nc5cc(c(F)cc5)Cl)c4c3CC2	2321
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/validation.tsv b/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/validation.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..0e8f7c7a91484a854c07bfeced0e1988852d9f1d
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/patent_disjoint/validation.tsv
@@ -0,0 +1,300 @@
+product_smiles	rule_id
+C1CC1N(C)Cc2c(ccc(C#Cc3ccc(cc3)CC(=O)OC)c2)C(=O)OC(C)C	6
+c1cc(ccc1Cl)C#Cc2ccc(c(C#N)n2)N	6
+C1(Cl)CCOc2cc(ccc12)F	17
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCO)C3=O	26
+c1cnccc1N2CCC(CC2)CO	28
+FC(F)(F)c1ccc(cc1)CCC=O	37
+Clc1cnc(Oc2cccc(CBr)c2)cc1	71
+O=S(=O)(c1ccc(c(c1)Cl)CBr)C	72
+O=S(=O)(c1c(CO)ccc(Br)c1)C	83
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(Cl)=O)s3	106
+FC(F)(F)COc1ccc(cc1)N=C=S	119
+CC(C)(C)OC(N1Cc2c(cccc2C1)C#N)=O	134
+c1cc(ccc1)CN2CC3C(CC(C2)C3)=O	165
+C1C(CC1N)(c2ncccc2)C#N	176
+C1C(CC1N)(c2ncccc2)C#N	177
+C1CC(c2cccc(C)c12)N	183
+c1(cc(F)c(cc1)F)C(N)C(C)O	185
+CC(C)(C)OC(=O)NC(CC(C)C)C(N1C(CC)CCC1C(N)=O)=O	186
+C1C(CC1N=[N+]=[N-])(c2ncccc2)C#N	208
+CC(C)(C)OC(=O)NCCCCCC(C)O	212
+CC(C)(C)OC(NC(CCc1ccc(cc1)Br)C(C)O)=O	212
+C1CC(CCN1C)c2c3c(cc4c(N(CC4)C(C)=O)c3)[nH]c2	225
+CC(C)CCCC(CC(C)=O)C	244
+CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)C(CN2C(c3c(cccc3)S2)=O)=O	257
+C1CN(CCC1Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2)C(C)=O	259
+C1COCCN1C(=O)C2N(C(CN(C2)S(=O)(=O)c3ccc4c([nH]cc4Cl)c3)=O)CC5CCN(CC5)C=6C=CC(=O)N(C)N=6	264
+C1CC2CCC1N2C(C(C)(C)c3ccc4[nH]c(-c5cc(C)cc(C)c5)c(C(C)CNC(=O)OC(C)(C)C)c4c3)=O	266
+C1COCCN1C(=O)CN2N=Nc3c(C(=O)N)ncn3C2=O	266
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)C(OCC)=O)=O)c4c(cccc4)Br	266
+CC(C)(C)OC(N1CCCCC1C(=O)NC(Cc2cnc(cc2)Br)C(=O)N)=O	273
+CC(C)(C)OC(C(C1C(CC)CCN1)N2CCCC2C(=O)NC(CCSC)C(=O)OC)=O	277
+CC(C)CC(c1csc(n1)-c2ccccc2)C(=O)NCC#N	280
+CC(C)(C)OC(=O)NCC(N1CCC(CC1)(C(=O)NCc2c(cccn2)C)CO)=O	282
+CC(C)(C)OC(NCCOCCOCCNC(=O)COc1c(OC)cc(C=CC(=O)OC)cc1)=O	289
+c1cc(ccc1F)-c2oc(C)c(CC(NCC3CN(C(c4cc(Cl)c(Cl)cc4)=O)CCO3)=O)n2	290
+n1c(n(Cc2c(F)cccc2Cl)c3C(N(C(=O)N(c13)C)C)=O)N4CCCC(C(NCCO)=O)C4	290
+c1cc(ccc1)C=2C=CN(CCC(C)(S(=O)(=O)C)C(NO)=O)C(=O)C=2C	294
+c1cc(ccc1)C=2C=CN(CCC(C)(S(=O)(=O)C)C(NO)=O)C(=O)C=2C	295
+c1cc(ccc1)C=2C=CN(C(=O)C=2C)CCC(C)(C(NOC3CCCCO3)=O)S(=O)(=O)C	296
+O(CC)C(=O)C(C(OCC)=O)CC(c1ccc(cc1)-c2ccc(cc2)NC(CCCC)=O)=O	306
+c1cc(ccc1NC(=O)CCCl)Nc2nc(c(cn2)Br)Nc3ccccc3	306
+c1cc(ccc1NC(N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2)=O)NC(C)=O	306
+c1c(-n2ccnc2)cccc1NC(C)=O	309
+c1c(C)c(c(cc1-c2nc3ccc(cc3c(O)n2)NC(C)=O)C)O	309
+c1cc(ccc1)NC(=O)C2CCN(CC2)Cc3ccc(cc3)-c4nc5c(cc4-c6ccccc6)cnc7n5nc(C)c7	310
+CC(C)[Si](C(C)C)(C(C)C)OCC(c1ccccc1)C(Nc2cc3c(cncc3)cc2)=O	311
+CC(C)(C)OC(NCCC(Nc1ccc2c(n(S(=O)(=O)c3c4c(cccc4)ccc3)nc2)c1)=O)=O	312
+Brc1cccc(Br)c1COC(C)=O	321
+C1CC(CCC1CCCCC)CBr	347
+C(OC)(=O)NC1(C(CC#N)C1)c2cc([N+]([O-])=O)ccc2	352
+c1cc(ccc1C2CCC(CC2)CCCCCOC)Cl	358
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)CCCO)cnc23	361
+C1CN(CCC1(CN2CCN(CC2)Cc3ccccc3)c4ccccc4)C	383
+C(CN1CCC2N3c4c(C2C1)cc(-c5c(c(Cl)ccc5)Cl)cc4CCC3)C	385
+c1cc(ccc1CC=2c3c(cccc3)C(N(N=2)CC4CCCN4CCN5C(c6c(C5=O)cccc6)=O)=O)Cl	385
+C1CN(CCN1c2ccc(cc2)OCCOC)CCN3C4N=C5N(N)C=NC(=C5N4N(C)C3=O)c6ccco6	387
+C1CN(CCO1)CCCc2cc(c3n2ncnc3N)Br	387
+CC(C)(C)n1nc(CCCN2CCN(CC2)c3ccc(cc3)Cl)cc1-c4ccc(cc4)Cl	387
+C1COCCN1CC2Cc3ccccc3CN2C(=O)OCc4ccccc4	391
+CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCC(CC2)Oc3c(cc(F)cc3)C#N	393
+C1CN(CCN1CCn2ccc3c4nc(-c5occc5)nn4c(nc23)N)C(Cc6ccc(cc6F)F)=O	395
+FC(F)(F)C(N(c1ccc(CCC(OCC)=O)c(F)c1)Cc2ccc3c(c2C)N(CCN4CCCCC4)CCC3)=O	395
+CC(C)(CNC(c1ccc(c(Cl)c1)Cl)=O)NCCC=C	411
+CC(C)(C)OC(=O)N1C(CNCc2ccccc2Cl)(CCC1)C	419
+C1c2ccccc2CC1NCCCC3N(CCCC3)Cc4ccccc4	427
+c1cc(ccc1CCNC)-n2c3c(c(C)cc(C)n3)nc2CC	427
+CC(C)(C)OC(N1CCC(CC1)(CN)F)=O	452
+CC(C)(C)[Si](C)(C)OCCC(O)C1=CC(N(C=C1)C2=CC(C)(C)Oc3c2cc(C#N)cc3)=O	477
+c1c2n(CC)cc(c2ccc1OCC)C#N	484
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)OCCC	484
+CC(C)(C)OC(=O)NCCOc1ccc2c(c1)C(C(N3CCCC3)CC2)Cc4cc(c(cc4)Cl)Cl	491
+c1cc(ccc1OCCCCc2cc(OC(=O)C)ccc2)CCN3C(OC(c4ccc5OC(C)(C)OCc5c4)C3)=O	493
+CC(C)(C)OC(=O)N1CC(CC(CO)C1)N(C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C)C	497
+C1C(CCC(=C1)CCCCC)CO	499
+O=S(=O)(c1cccc(OC)c1)NCCCO	499
+c1cc(ccc1)CC(O)C=CC2N(CCCCCl)C(CC2)=O	519
+CC(C)(C)[Si](C)(C)OC(CCCC(C=CC1C(OC2CCCCO2)CC(Cl)C1CCCc3ccc(C(OC)=O)s3)O)C	520
+c1cc(ccc1)CC(O)C=CC2N(CCCCCl)C(CC2)=O	520
+c1cc(ccc1)CC(=O)C=CC2CCC(N2CCCCCl)=O	521
+CC(C)(C)OC(NC(CCCC)C=O)=O	533
+c1cc(ccc1)CC(C=O)NC(OCC)=O	533
+CC(C)(C)OC(NC(C=O)C(C)C)=O	534
+c1cc(ccc1OCC(=O)N2CCCC(C(OCC)=O)C2)-c3ccc(cc3)C#N	560
+C1CN(CCC1COc2cc3ncnc(c3cc2OC)Nc4c5c(ncc4Cl)OCO5)C(CN(C)C)=O	562
+CC(C)(C)C(C)C(=O)N1CCC(CC1)c2c3c(ncc(NC(=O)c4cccc(C#N)c4)c3C)n(C)c2	562
+C1CC1(C#N)C(=O)N2CCC(C)C(N(c3c4c([nH]cc4)ncn3)C)C2	564
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(C(N5CCC(OC)C5)=O)ccc4c(S(C)=O)c3	584
+CC(C)(C)OC(NC1C2C1CN(C2)C(c3ccc(cc3)NC(c4ccc(cc4)F)=O)=O)=O	585
+CC(C)(Oc1ccc2c(c(C(=O)OCc3ccccc3)c(C)[nH]2)c1)C(N(CC)CC)=O	588
+CN(C)CC1(CCCCC1)c2cc(c(Cl)cc2)Cl	605
+C1N(CCC1COC(=O)Nc2ccccc2Br)C	610
+CC(C)(C)OC(=O)N1CCC(N(CCCCN(C2Cc3c(CC2)ccc(OC)c3)CCC)CC1)=O	620
+c1ccccc1COC(=O)NC(c2ccccc2)CN3CC(CC3)OCCOCCOCCOCCOCCOC	622
+C1CC(CCN1CCC2c3ccccc3OCC2)NC(C)=O	624
+C1CC(CCN1CCCCn2cnc3c2cccc3)N4c5c(cccc5)NC4=O	624
+C1CCN(C1)CCN(C)CCSC2CCC3(C)C(CCC4C5(CCC(c6ccoc6)C5(CCC34)C)O)C2	624
+c1cc(ccc1C#N)NC(C(=O)OCC)c2c(F)c(OC3CCN(CC3)CCO)cc(OCC)c2	627
+O=S(=O)(c1ccc(cc1)NC(=O)CC2CCN(CC2)CCO)C	630
+CC(C)(C)OC(=O)N(Cc1cc(ccc1I)Br)CC	643
+O=S(=O)(N1C(C(OCC)=O)CN(CC1)Cc2ccc(cc2)Br)c3ccc(cc3)OCC#CC	646
+C1CN(CCC1CNc2nc3c(C(=O)OC)cccc3[nH]2)Cc4cc(Cl)cc(c4O)Cl	647
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1-c4nnc(o4)NC5CCN(CC5)S(=O)(=O)C	666
+C1CCCC1CC(C(NC2CCCN(S(=O)(=O)c3ccccn3)CC2O)=O)NC(=O)c4occc4	668
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(Nc3c2cc(C4CC4)cc3F)=O	689
+N1(c2cc(C)ccc2NC1=O)C(CCC)CC(OCC)=O	689
+c12CN(C(=O)c1cccc2[N+]([O-])=O)CCOC	690
+C1(COCC(C)N1CCNC(C2CCCCN2c3nc4c(cccc4)o3)=O)C	711
+CC(C)(CO)NC(=O)C(Oc1ccc2c(cc(Br)cn2)c1)SC	711
+C1CN(CCO1)CC(C)(C)NC(=O)Cn2nc(-c3cn(nn3)Cc4ccc(cc4)OC)cc2Cc5ccc(cc5)F	712
+CC(C)(C)OC(N(CC(NCC)=O)CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F)=O	713
+CC1(C)OC(=O)Nc2c1cc(-c3n(c(cc3)C#N)CC(NCCc4ccc(OC)c(OCC)c4)=O)cc2	716
+CC(C)(C)OC(NCC(=O)NC(C(=O)NC)Cc1ccccc1)=O	719
+C1CN(CCN1c2nccc(NC(=O)NCCC)c2)CC	726
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)NC(=O)NC)C	726
+FC(F)(F)c1n(C)c2cc(ccc2c1C(NC)=O)OC	743
+C1CN(CCC1CNc2[nH]c3cccc(C(=O)NC(C)C)c3n2)Cc4cc(Cl)cc(c4O)Cl	744
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(cc4C)C(NC)=O	748
+c1c(ccc(Oc2cc(C(NC)=O)ccc2[N+]([O-])=O)c1F)F	748
+c1cc(ccc1-c2[nH]c(-c3ccccn3)c(-c4ccc5c(c4)OCO5)n2)C(NC)=O	748
+CC(C)CC(Sc1ccc(cc1)Br)c2ccc(cc2)C(NCCC(=O)OC)=O	749
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(NCCCCCCC(OC)=O)=O	749
+O=S(=O)(c1cccc2nsnc12)Nc3c(C(=O)NCC(c4cc(Cl)c(cc4)Cl)C)cc(Cl)cc3	753
+Fc1cc(cc(F)c1)OCCNC	760
+c1(ccccc1OC)OC(CNCCCc2c3cc(ccc3[nH]c2)F)C	760
+c1cc(ccc1Cl)CCNCC(O)C	760
+c1ccccc1C(n2ccc3ccccc23)CCNC	760
+c1cc(ccc1CCNCC2Cc3c(CC2)cccc3)OC	762
+CC(C)(C)n1nc(cc1CC(C)C)CNCCN2CCN(CC2)c3c(C)cc(C)cc3	763
+O=S(=O)(C)c1c(ccc(Br)c1)CNC	770
+O=S(=O)(NCCOCCOc1ccc2c3c(c(nc2c1)N)nc(CCC)s3)C	779
+CC(C)(C)OC(=O)N1C(CC(Nc2ccc(cc2[N+](=O)[O-])Br)C1)CO	785
+CC(C)(C)OC(NCCNc1c2c(ncc1[N+](=O)[O-])cc(OCc3ccccc3)cc2)=O	789
+c1cc(ccc1)-c2cc(NC(C)CCCN(CC)CC)c3c(cccc3)n2	789
+CC(C)(C)OC(=O)Nc1c2c(ncn1)n(-c3cccc(c3)NC)c(c2-c4ccc(cc4)Cl)Cl	798
+C(C)OC(N1CCc2c(ccc3CCC(OC)c23)CC1)=O	811
+CC(C)OC(Cc1c(cc(cc1)[N+](=O)[O-])[N+]([O-])=O)=O	814
+CC(C)(C)OC(NC(C(=O)OC1CCCC1)CCOc2cccc(c2)[N+]([O-])=O)=O	840
+c1cc(ccc1OCC(C#N)(CCCC)C)O	841
+FC(F)(F)c1c(Br)c(ncn1)OCC	849
+O=S(=O)(CCC)N1CCC(CC1)(c2ncccc2)C#N	860
+CC(C)(C)OC(=O)NC(CSC)C	875
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)-c2ccccc2[N+]([O-])=O	882
+c1cc(ccc1C)S(=O)(=O)OCCCCCC2CCN(CC2)C(=O)OCc3ccccc3	898
+CC(C)(C)OC(=O)N1CC(C1)n2nccc2-c3cc(ccc3O)C(F)(F)F	958
+C1CN(CCN1C)c2nc(SC3CCN(CC3)C(=O)C=C)nc(c2)Nc4ncc(C#N)s4	965
+C1CN(CCO1)CCCOc2c(NC(=O)C=C)cc3c(c2)ncnc3N(C(C)=O)c4ccc(F)c(c4)Cl	968
+CC(C)(C)c1cc(O)c(cc1OC(C(C)(C)C)=O)CC=C	972
+o1c2c(c(c1CC)C)c(O)c(cc2)CC=C	972
+C1CC1C=C(C(N2CCCC2Cn3c4c(c(n3)-c5c(F)cc(cc5)Oc6cccc(F)c6F)c(N)ncn4)=O)C#N	1001
+c1ccccc1COCC2C(CC=CC2)CC#N	1005
+Brc1cc(cc(Br)c1)CC#N	1008
+C(Cc1cc2nccnc2cc1)#N	1011
+c1ccccc1C2C=CCC(NC(=O)C(NC(=O)C(O)CC(C)C)CC(C)C)C(=O)N2CCOC	1076
+c1c(c([N+]([O-])=O)ccc1)CCN	1111
+S(CCOc1ccccc1NN)C	1140
+c1cc(ccc1-c2ncc(nc2)O)N	1142
+Clc1c(c(F)ccc1N)Cl	1145
+FC(F)(F)c1cnc(-c2c(c(O)c(cc2F)Cl)N)c(Cl)c1	1147
+C1CC(CCC1O)Oc2cc3CCC(Oc3cc2)c4ccccc4	1183
+N#Cc1ccc2cc(cc(-c3c4ccccc4ccc3)c2n1)NC(=O)OCC	1210
+CC(C)(NC(C(SC)Oc1ccc2c(cc(Br)cn2)c1)=O)C=NOCCCC	1246
+c1cc(ccc1C#Cc2ncccc2)C(C(=O)Nc3sccn3)CC4CCCC4	1325
+FC(F)(F)C(=O)N(Cc1ccnc2ccccc12)C3CC(Cc4ccccc4)N(CC3)C(=O)c5c(cccc5Cl)Cl	1349
+c1cc(ccc1)C2COCC(N2)=O	1359
+O=S(=O)(C)NC(c1ccc(c(Cl)c1)OCc2cc(F)c(cc2)F)=O	1391
+C1CC(CCC12OCCO2)c3c(cc(OCOC)cc3)OCOC	1461
+c1cc(ccc1OCCCN(C)C)C(Cl)=O	1485
+Clc1cc(cc(Cl)c1OCCCCCCCCCCCC)C(Cl)=O	1487
+c1(C(=O)Cl)cc2c(C(=O)c3c(O2)cccc3)cc1	1487
+C(Cl)(=O)c1ccc(C#N)cc1C	1491
+C1CCN(C1)C(=O)c2ccc3c(c2)Oc4c(cccc4)C3=O	1496
+C1CCN(C1)C(=O)c2ccc3c(c2)Oc4c(cccc4)C3=O	1497
+CC(C)(C)OC(NC1CN(CCC1)C(c2ccc(c(c2)[N+](=O)[O-])NC)=O)=O	1497
+c1cc(ccc1C(N(C)C)=O)CNC(N2C(C)CN(c3ccc(c(Cl)c3)C#N)C(C)C2)=O	1497
+c1cc(ccc1C(=O)N2c3ccccc3CCc4ccccc4C2)NC(c5c(cccc5)C)=O	1503
+C1CC(CCN1C(N)=N)CNC(=O)c2cc(OCCc3c(Cl)cc(Cl)cc3)c(OC)cc2	1511
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)O)ccn2)=O	1511
+c1cc(ccc1C(NCc2c(nc(C)cc2C)O)=O)C(C)OCC	1511
+c1cc(ccc1C(c2cc(OC)c(OC)cc2)=O)C(NCCOc3cc(ccc3)C#N)=O	1511
+c1cc(ccc1CN2c3c(C(=O)N(C2=O)Cc4ccc(cc4)C(NCC5COC5)=O)cccc3)C	1511
+c1nc(ncc1C)C2(CC2)NC(c3ccc(C)c(c3)-c4cc5c(c(-c6ccc(cc6)F)oc5cc4)C(=O)NC)=O	1511
+Clc1ccc(c(Cl)c1)CCNC(c2ccc3c(c2)ccn3-c4ccc(CC(OC)=O)cc4C#N)=O	1513
+C1C2CC3CC(CC1C3N(CC(COc4ccccc4C(NCc5ccc(cc5)C6(N=N6)C(F)(F)F)=O)O)C)C2	1514
+c1cc(ccc1)CCNC(=O)c2ccccc2NC(=O)c3ccc(OC)c(Cl)c3	1514
+c1cc(ccc1C(Nc2ccc(cc2)N3C4C(CC3)N(C)CC4)=O)OCCCC	1527
+c1cc(ccc1C(OCC)=O)NC(c2ccc3c(N(S(=O)(=O)c4c(OC)ccc(Cl)c4)CCO3)c2)=O	1532
+c1cc(ccc1NC(c2ccc3c(c2)C(C)(C)CCC3(C)C)=O)C(Nc4c(N)cccc4)=O	1532
+c1ccccc1NC(=O)c2c(Cl)cccc2C	1534
+c1cc(cc(OCCC)c1OC)CBr	1553
+c1cc(ccc1CN2C(=O)N(N=C(OC)C2=O)c3c(CC#N)cccc3)Cl	1557
+c1ccccc1Sc2ccc(cc2C)CC#N	1557
+Cc1cccc(C)c1COc2cccc(CC#N)c2C	1559
+c1cc(ccc1CC2SC(NC2=O)=O)OCCN(c3nc4ccccc4s3)C	1563
+c1(c(c(c(OC)c(c1C)CC[N+]([O-])=O)C)C)OC	1568
+c1cc(CC[N+](=O)[O-])cc(C)c1OC	1568
+c1(c(c(c(OC)c(CCN)c1C)C)C)OC	1572
+c1cc(cc(C)c1OC)CCN	1572
+c1(c(c(c(OC)c(CCN)c1C)C)C)OC	1575
+c1cc(cc(C)c1OC)CCN	1575
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CCl	1585
+c1cc(ccc1)C(OCCOc2cccc(CN3CC(Nc4c5ccncc5ccc4)CC3)c2)=O	1596
+C1CN(CCN1Cc2cc(ccc2OCc3ccccc3)C=O)c4ccccc4	1601
+C1COCCN1Cc2cc3c(cc2)n(c(CN(C(=O)c4c(ccc(F)c4)F)CCC)n3)CCC	1601
+c1cc(ccc1CN2CCC(CC2)c3nnc([nH]3)-c4cnc(cc4)OC)-c5c(cc6c(ccnc6O)n5)-c7ccccc7	1601
+c1ccccc1CCNCc2c(OCCCN3CCOCC3)c(OC)ccc2	1616
+Cc1cc(cc(C)c1OC)CO	1642
+c1cc(ccc1)CN2c3cc(ccc3OCC2)Cc4c(C(C)C)ccc(Br)c4	1645
+O=Cc1c(N)cccc1OC	1662
+c1(cc(cc(C)c1OC)C=O)C	1665
+c1(cc(c(C)cc1)Br)C=O	1666
+c1cc(ccc1-c2ccc(cc2C)N3C(CCC3)=O)C(OC)=O	1681
+C1CN(CCN1c2ccc(C(Nc3c4c(n[nH]3)ccc(Cc5cc(F)cc(c5)F)c4)=O)c(NC6CCOCC6)c2)C	1682
+CN(C)CCOc1ccccc1NC(=S)N	1688
+CN(C)CCOc1ccccc1NC(=S)N	1689
+c1ccccc1C(NC(=S)Nc2ccccc2OCCN(C)C)=O	1690
+C1(C)CN(CC(C)N1)CC(=O)Nc2cccc(c2C)F	1694
+Clc1cc(cc(Cl)c1N2C=3C(=C(N2)C(C)C)C(=O)N=C(Cc4ccc(cc4)NC(=O)CN5CCNCC5)N=3)Cl	1694
+C1C2CC3CC1CC(C2)(C3)C(Nc4ccc5nc(N)sc5c4)=O	1701
+CC(C)(C)CC1NC(C(C12c3c(cc(cc3)Cl)NC2=O)c4cc(Cl)cc(c4)F)C(Nc5c(cc(cc5)C#N)OC)=O	1701
+O=S(=O)(CC)N1CCN(CC1)c2ccc(cc2)NC(C3CCc4cc(OC)cc(N5CCN(CC5)C)c4O3)=O	1701
+C1CC(CCC1)C(=O)Nc2cc(ccc2)CCN3CCN(CC3)c4cccc5c4ccc(C)n5	1702
+CC(C)(C)[Si](C)(C)OCC(C(=O)OC)N1C(c2cccc(c2C=C1)NC(C(C)c3ccc(cc3)Cl)=O)=O	1703
+CC(C)(CO)c1n(c2cc(F)c(cc2c1)NC(=O)C3(CC3)c4cc5OC(F)(F)Oc5cc4)CC6OC(C)(C)OC6	1703
+c1cc(ccc1)C(c2ccccc2)C(Nc3ccc(cc3)S(=O)(=O)N(CC)CC)=O	1703
+c1cc(ccc1Oc2ccccc2)CC(Nc3cc4c(nn(c4)CCN(C)C)cc3)=O	1703
+c1cc(ccc1-c2nn(CC)cc2-c3c4cc[nH]c4ncc3)NC(=O)OC	1722
+CC(C)(C)c1cc(c(OC)c(CO)c1)NC(=O)OCC(Cl)(Cl)Cl	1723
+C1C2(CC1)C(=N)NC(CS2(=O)=O)(c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F)C	1731
+c1c(Cl)c(c(cc1)Cl)C(Nc2ccc(cc2)CC(NC(=S)C3(CCCC3)CCCCS(=O)(=O)C)C(=O)OC)=O	1740
+c1ccccc1C(=O)Nc2ccc(cc2)CN3CC=C(CCC(OC)=O)C3=O	1740
+c1(cccc(NC(CCC)=O)c1)NC(=O)c2cccc(Cl)c2	1741
+C1CN(CCN1C(C)=O)c2ccc(NS(=O)(=O)C)c(c2)C	1756
+CC(C)(C)C1C(=C(C=2N=S(C)(c3cc(ccc3N=2)NS(=O)(=O)C)=O)C(N1Cc4cc(Cl)c(cc4)F)=O)O	1756
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(CCC2)Cc3ccc(cc3)NS(=O)(=O)C	1756
+CC(C)(C)c1ccc(cc1)CN2c3c(N(Cc4ccc(cc4)NS(=O)(=O)C)C2=O)cccc3	1756
+O=S(=O)(C)Nc1ccc2c(c1)C3=NC=C(C(OCC)=O)C(=O)N3C=C2C	1756
+O=S(=O)(Nc1ccc2c(c(C(=O)C)c[nH]2)c1)c3ccccc3	1760
+c1nc2c(c(Nc3cc(c(Cl)cc3Cl)OC)c1C#N)cc4cc(c(OCCCl)cc4c2)OC	1769
+O=S(=O)(c1c(Nc2nc(Nc3c(OC(C)C)cc(c(Br)c3)C)ncc2C)cccc1)C(C)C	1775
+c1cc(ccc1Cl)C2c3nc(nc(c3CC2)N(C)C)Nc4cc(OC)c(cc4)-n5cc(nc5)Cl	1775
+FC(F)(F)c1c(Cl)nc(nc1)Nc2ccc(cc2)C(=O)OCc3ccccc3	1776
+c1cc(ccc1N2CCN(CC2)C)Nc3nc4N(Cc5ccccc5Br)C(=O)C=Cc4cn3	1777
+N(=C=S)c1c(c(ccc1Cl)OC)Cl	1783
+c1cc(ccc1CC(=O)OC)Oc2cc(N=C=S)ccc2	1783
+CC(C)(C)OC(=O)N1CCC(Oc2ccc(cc2)F)C1	1787
+c1cc(ccc1)-c2c(cc(cc2)-c3nc4cc(c(OC(C)=O)cc4c(O)n3)OC)F	1788
+CC(C)(C)OC(N1CC(c2cc(OCC3CC3)ccc2C1)O)=O	1797
+O=S1(=O)CCCN1c2ccc(cc2)-c3c(c4c(cc(OCCN5CCOCC5)cc4)n3CC)C#N	1800
+CC(C)(C)C(=O)OCN1C=Nc2cc(c(cc2C1=O)OC)OCCCBr	1801
+C1CN(CCC1CCCOc2cc(C)c(c(C)c2)Br)c3nc(C(C)C)no3	1802
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc(C)c(cc2OC)OC(C)(C)C(=O)OC	1808
+FC(F)(F)S(=O)(=O)Oc1ccc2C=C(c3cc(Cl)ccc3)N(CC(=O)NC(C)C)C(c2c1)=O	1827
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)Sc2cc3C=C(C)C(C)(C)Oc3cc2	1829
+Cc1cc(cc(C)c1Oc2ccc(OC)c(Oc3ccccc3)c2)[N+]([O-])=O	1830
+Clc1cccc(c1)-c2noc(C)c2CO	1879
+c1cc(ccc1-c2nc3N(CCCCCCC(=O)OCC)CCCc3nc2-c4ccc(cc4)C)C	1915
+c1cc(ccc1C#N)Nc2c3CCC(c3ncn2)OC	1921
+C1CC1Cc2nc(ncc2-c3nc(NC4COCCC4)ncc3)N	1927
+c1cc(ccc1F)C2CCc3c2nc(Nc4ccc(-n5nc(nc5)C)c(OC)c4)nc3NC	1929
+C1CCN(C1)c2c3cc(c(cc3nc(c2)C)OCc4ccccc4)Br	1945
+c1cc(ccc1-c2nc3C(C)(C)OCc3c(N4CC5CCC(C4)O5)n2)Br	1946
+FC(F)(F)c1ccc(cc1)C#Cc2ccc(cc2)OC3OCCCC3	1971
+c1ccccc1COc2ccc(Cl)cc2Cn3nc(cc3C)C#N	1976
+CN(C)c1n(Cc2ccccc2F)nc(c1)C#N	1978
+c1cc(ccc1C)C2CCCN2c3nc(cc(Nc4sc(C#N)cn4)n3)C(NC(C)CO)=O	1998
+c1(cccnc1OCC(C)F)Nc2c3c(c(sc3ncn2)C(NCCO)=O)C	1999
+c1cc2c(cc1C(=O)c3c(F)cc(OC)cc3)ccc(OC)c2	2012
+c1c(OC(C)=O)cc(cc1)CCCCO	2025
+CC(C)(C)N1c2ccc(CCCO)cc2C(=O)C(C(NCc3ccc(cc3)Cl)=O)=C1	2026
+O(COC)c1ccc2ccc(nc2c1C#N)CO	2038
+c1c2c(c([N+](=O)[O-])c(OCOC)c1)nc(CO)cc2	2038
+c1(C)cc(nc(Cl)n1)C=NO	2053
+c1(C)cc(nc(Cl)n1)C=O	2057
+C1(C(Nc2c(c(Cl)c(cc2N1)Cl)C#N)=O)=O	2060
+CCCCCCCCCCCCc1ccc(O)c(c1)N	2072
+Nc1c2c(ccc1)cnc(c2)COC	2072
+C1C2(CC1)S(=O)(=O)CC(NC2=N)(c3cc(ccc3F)N)C	2074
+c1c(c(cc(F)c1Br)O)N	2074
+c1cc2c(CCC(NC(CC)=O)C2)c(N)c1OC	2076
+FC(F)(F)c1ccc(C)c(c1)N	2078
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CC(OCCCCCC)C(=O)OC	2100
+CC(C)(C)OC(NCc1ccc(cc1)-c2cccc(OCCCCOCc3ccccc3)c2)=O	2101
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cc(cnc3)NC(=O)C(C)(C)C	2112
+c12c(N(C(=O)O1)C)cc(cc2)-c3cnccc3C(C)O	2112
+CN(C)S(=O)(=O)c1c(cc(cc1)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C)C(O)=O	2117
+C(C)N(CC)C(=O)c1c(c2c(c(-c3ccc(cc3)OC)c1)cccc2)OC	2119
+CC(C)(CC1(CC(N(C(C)c2ccc(cc2)-c3ccc(O)nc3)CC1)=O)c4ccccc4)O	2131
+C1CN(CCC1=O)c2cccc(-c3ccnc(Cl)n3)c2	2142
+c1(C=O)cc(c(C)cc1)-c2ccnc(Cl)n2	2142
+C(=O)(OC)C(C)c1c(F)cc(Br)c(c1)F	2148
+c1cc(C(C)C(O)=O)cc(N)c1N	2155
+Nc1c(O)c(Cl)cc(F)c1N2N=NN(CCCF)C2=O	2204
+C1COCCN1c2nn3cc(NC(c4c(cnn4C)C(N5CC(C5)F)=O)=O)ccc3n2	2241
+C1CC1NC(c2cnn3ccc(nc23)N4C(c5cc(cc(OCCOC)c5)F)CCC4)=O	2278
+c1cc(ccc1)-c2c(COc3ccc(cn3)C(NC(CO)C)=O)c(on2)C	2293
+C1CN(CCN1C)c2ncc(cc2)C(=O)NCc3ccccc3	2294
+CC(C)(C)OC(=O)NCC(c1ncc(C(=O)NCc2ccccc2)cc1)O	2294
+FC(F)(F)c1c(cccc1)-c2n(C)cc(C(Nc3ccc(cc3)S(=O)(=O)C)=O)c2C	2296
+O=S(=O)(Nc1cn(c(C#N)c1)C)C	2304
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/primary/assets/composite.manifest.json b/releases/n1-n5-composites-inchi-v1/payload/splits/primary/assets/composite.manifest.json
new file mode 100644
index 0000000000000000000000000000000000000000..a360d9b5cb12b388145100b623e0e70e4c11ad08
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/primary/assets/composite.manifest.json
@@ -0,0 +1,10 @@
+{
+  "input_sha256": "b8ae66286106db9695e20a0cfd80e65e3d661ab8eddc2e37102bce5f5fbb0aa4",
+  "policy_compatibility": "requires this exact ordered vocabulary",
+  "preserve_stereo": false,
+  "reaction_indices_semantics": "zero-based unique product/rule training-pair indices",
+  "rule_count": 3185,
+  "rules_sha256": "af1b14fbeca412af9a72d5259150b04adb214729b9aeeaadd2cb8a9903fe5c5c",
+  "schema": "synplan-rules/2",
+  "stereo_schema": 1
+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/primary/assets/composite.tsv b/releases/n1-n5-composites-inchi-v1/payload/splits/primary/assets/composite.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..a3f87e3ef9eb358b2d39b677c507bd3153b1f7a2
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/primary/assets/composite.tsv
@@ -0,0 +1,3186 @@
+rule_smarts	popularity	reaction_indices
+[B:1](-[O:2])(-[c:3](:[c:4]):[c:5])-[O:6]>>[c:3](:[c:4])(:[c:5])-[O:11].[B:1](-[O:2])(-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:12])-[C:13](-[C:14])(-[C:15])-[O:16]-1	1	0
+[Br:1]-[C:2]-[C:3]>>[Br:1]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:2](-[C:3])-[O:8]-[C:9]-1-[C:10]-[C:11]-[C:12]-[C:13]-[O:14]-1	1	1
+[Br:1]-[C:2]-[c:3]>>[Br:1]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:2](-[c:3])=[O:8]	1	2
+[C:1]#[C:2]-[C:3]-[C:4](-[C:5])(-[C:6])-[O:7]-[Si:8](-[C:9])(-[C:10])-[C:11]>>[Si:8](-[C:9])(-[C:10])(-[C:11])-[Cl:13].[C:4](-[C:5])(-[C:6])=[O:7].[C:1]#[C:2]-[C:3]-[Br:12]	1	3
+[C:1]#[C:2]-[C:3]-[O:4]-[c:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:[n:10]:1>>[C:1]#[C:2]-[C:3]-[O:4].[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[n:10]:1)-[O:11]	1	4
+[C:1]#[C:2]-[C:3]>>[C:2](-[C:3])(=[O:4])-[O:16]-[C:17].[C:1]-[C:5](=[O:6])-[C:7](-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:13])=[N+:14]=[N-:15]	1	5
+[C:1]#[C:2]-[C:3]>>[C:2](-[C:3])-[O:15].[C:1](-[P:4](-[O:5]-[C:6])(=[O:7])-[O:8]-[C:9])(=[N+:10]=[N-:11])-[C:12](-[C:13])=[O:14]	1	6
+[C:1]#[C:2]-[C:3]>>[C:2](-[C:3])-[O:4].[C:1]-[C:5](=[O:6])-[C:7](-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:13])=[N+:14]=[N-:15]	1	7
+[C:1]#[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]#[C:2]-[Si:6](-[C:7])(-[C:8])-[C:9].[c:3](:[c:4])(:[c:5])-[I:10]	5	8,9,10,11,12
+[C:1]#[C:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4]):[c:6]:[n:5].[C:1]#[C:2]	1	13
+[C:1]#[C:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[C:1]#[C:2]-[Si:8](-[C:9])(-[C:10])-[C:11].[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Br:12]	1	14
+[C:1]#[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:12].[C:1]#[C:2]-[Si:8](-[C:9])(-[C:10])-[C:11]	1	15
+[C:1](#[C:2]-[c:3](:[c:4]):[c:5])-[Si:7](-[C:6])(-[C:8])-[C:9]>>[C:1](#[C:2])-[Si:7](-[C:6])(-[C:8])-[C:9].[c:3](:[c:4]):[c:5]	1	16
+[C:1](#[C:2]-[c:3](:[c:4]):[c:6]:[n:5])-[Si:8](-[C:7])(-[C:9])-[C:10]>>[C:1](#[C:2])-[Si:8](-[C:7])(-[C:9])-[C:10].[c:3](:[c:4]):[c:6]:[n:5]	1	17
+[C:1](#[C:2]-[c:3](:[c:4]:[n:5]):[c:6])-[Si:8](-[C:7])(-[C:9])-[C:10]>>[C:1](#[C:2])-[Si:8](-[C:7])(-[C:9])-[C:10].[c:3](:[c:4]:[n:5]):[c:6]	1	18
+[C:1](-[C:2](-[F:3])=[C:4]-[C:5])=[O:6]>>[C:1](-[C:2](-[F:3])=[C:4]-[C:5])(=[O:6])-[O:7]-[C:8]-[C:9]	1	19
+[C:1](-[C:2](-[N:3]-[C:4])=[O:8])-[C:5](-[C:6])=[O:7]>>[C:1](-[C:2](=[O:8])-[O:9]-[C:10])-[C:5](-[C:6])=[O:7].[N:3]-[C:4]	1	20
+[C:1](-[C:2](=[O:3])-[N:4]-[C:5])-[C:6](=[O:7])-[N:8]>>[C:1](-[C:2](=[O:3])-[O:9]-[C:10]-[C:11])-[C:6](=[O:7])-[N:8].[N:4]-[C:5]	1	21
+[C:1](-[C:2](=[O:3])-[O:13])-[c:5]:1:[c:4](:[n:12]:[c:8](:[n:7]:[n:6]:1)-[c:9](:[n:10]):[c:11])-[O:14]>>[C:1](-[C:2](=[O:3])-[O:13])-[C:5](-[C:4](=[O:14])-[O:15]-[C:16])=[O:17].[N:6]-[N:18].[N:7]-[C:8](-[c:9](:[n:10]):[c:11])=[N:12]	1	22
+[C:1](-[C:2](=[O:3])-[O:4])(-[C:5](=[O:6])-[c:7])-[C:9](-[O:8])=[O:10]>>[C:1](-[C:2](=[O:3])-[O:4])-[C:9](-[O:8])=[O:10].[C:5](=[O:6])(-[c:7])-[O:11]	1	23
+[C:1](-[C:2])(-[C:3])-[O:8]-[S:5](-[C:4])(=[O:6])=[O:7]>>[C:1](-[C:2])(-[C:3])=[O:8].[C:4]-[S:5](=[O:6])(=[O:7])-[Cl:9]	1	24
+[C:1](-[C:2])(-[N:3]-[c:4])=[O:5]>>[C:1](-[C:2])(=[O:5])-[O:6]-[C:7].[N:3]-[c:4]	1	25
+[C:1](-[C:2])(-[c:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[C:1](-[C:2])(-[c:3])=[O:8]	2	26,27
+[C:1](-[C:2])-[Br:3]>>[Br:3]-[C:4](-[Br:13])(-[Br:14])-[Br:15].[C:1](-[C:2])-[O:5]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	28
+[C:1](-[C:2])-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1](-[C:2])(=[O:8])-[O:9]-[C:10]-[C:11]	2	29,30
+[C:1](-[C:2])-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1](-[C:2])-[O:8]-[C:9](-[C:10])=[O:11]	1	31
+[C:1](-[C:2])-[Cl:3]>>[C:1](-[C:2])-[O:7]-[C:8].[Cl:3]-[S:4](=[O:5])-[Cl:6]	1	32
+[C:1](-[C:2])-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1](-[C:2])(-[O:7]-[C:8])=[O:9]	1	33
+[C:1](-[C:2])-[O:3]-[C:4]>>[C:1](-[C:2])(-[O:3])=[O:5].[C:4]-[I:6]	1	34
+[C:1](-[C:2])-[O:3]>>[C:1](-[C:2])(-[O:3])=[O:4]	1	35
+[C:1](-[C:2])-[O:3]>>[C:1](-[C:2])(-[O:3]-[C:4])=[O:5]	4	36,37,38,39
+[C:1](-[C:2])-[O:3]>>[C:1](-[C:2])(-[O:3]-[C:5])=[O:4]	4	40,41,42,43
+[C:1](-[C:2])-[O:3]>>[C:1](-[C:2])(-[O:3]-[C:5]-[C:4])=[O:6]	1	44
+[C:1](-[C:2])-[O:3]>>[C:1](-[C:2])(=[O:3])-[O:4]	2	45,46
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1](-[C:2])(-[O:7]-[C:10]-[C:9])=[O:11].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8]	1	47
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1](-[C:2])(-[O:7]-[C:9])=[O:10].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8]	1	48
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1](-[C:2])(=[O:7])-[O:8].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9]	1	49
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:10].[C:1](-[C:2])(=[O:7])-[O:8]-[C:9]	1	50
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8].[C:1](-[C:2])(=[O:7])-[O:9]	1	51
+[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8].[C:1](-[C:2])=[O:7]	1	52
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+[C:1](-[C:2]-[C:3]-[c:4](:[c:5]):[c:6])(=[O:7])-[O:8]>>[C:1](-[C:2]=[C:3])(=[O:7])-[O:8].[c:4](:[c:5])(:[c:6])-[Br:9]	2	66,67
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+[C:1](-[C:2]=[C:11])-[C:9](-[N:8]-[c:4]:1:[c:3]:[n:7]:[n:6]:[c:5]:1)=[O:10]>>[c:3]:1:[c:4](:[c:5]:[n:6]:[n:7]:1)-[N+:8](=[O:13])-[O-:14].[C:1](-[C:2]=[C:11])-[C:9](=[O:10])-[O:12]	1	78
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+[C:1](-[c:2](:[c:3]):[c:4])(-[C:5])-[O:6]>>[C:1](-[C:5])(=[O:6])-[N:7](-[O:8]-[C:9])-[C:10].[c:2](:[c:3])(:[c:4])-[Br:11]	1	100
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+[C:1](-[c:2](:[c:3]):[c:4])(-[C:5])=[O:6]>>[C:1](-[C:5])(=[O:6])-[O:8]-[C:9]-[C:10].[c:2](:[c:3])(:[c:4])-[Br:7]	1	102
+[C:1](-[c:2](:[c:3]):[c:4])(-[C:5])=[O:6]>>[C:1](-[C:5])(=[O:6])-[O:9].[c:2](:[c:3])(:[c:4])-[Mg:7]-[Br:8]	1	103
+[C:1](-[c:2](:[c:3]):[c:4])(-[c:5])=[O:6]>>[C:1](-[c:5])(=[O:6])-[O:9].[c:2](:[c:3])(:[c:4])-[Mg:7]-[Br:8]	1	104
+[C:1](-[c:2](:[c:3]):[c:4])-[O:5]>>[C:1](=[O:5])-[N:6](-[C:7])-[C:8].[c:2](:[c:3])(:[c:4])-[Br:9]	1	105
+[C:1](-[c:2](:[c:3]):[n:4])=[O:5]>>[C:1](-[c:2](:[c:3]):[n:4])(=[O:5])-[O:6]-[C:7]-[C:8]	2	106,107
+[C:1](-[c:2](:[c:3]:[n:4]):[n:5])=[O:6]>>[C:1](-[c:2](:[c:3]:[n:4]):[n:5])(=[O:6])-[O:7]-[C:8]-[C:9]	1	108
+[C:1](-[c:2](:[c:3]:[s:4]):[n:5])=[O:6]>>[C:1](-[c:2](:[c:3]:[s:4]):[n:5])(=[O:6])-[O:7]-[C:8]-[C:9]	1	109
+[C:1](-[c:2](:[n:3]):[c:4])=[O:5]>>[C:1](-[c:2](:[n:3]):[c:4])(-[O:5]-[C:6])=[O:7]	1	110
+[C:1](-[c:2])(-[N:3]-[c:4])=[O:5]>>[C:1](-[c:2])(=[O:5])-[O:6]-[C:7]-[C:8].[N:3]-[c:4]	1	111
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+[C:1](-[c:2])-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[C:1](-[c:2])(-[O:7])=[O:8]	2	115,116
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[C:1](-[c:2])=[O:7]	2	117,118
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[P:4](-[Br:7])-[Br:8].[C:1](-[c:2])(-[O:5])=[O:6]	1	119
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[P:4](-[Br:7])-[Br:8].[C:1](-[c:2])(=[O:5])-[O:6]	1	120
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+[C:1](-[c:2])-[Cl:3]>>[C:1](-[c:2])(=[O:6])-[O:7]-[C:8].[Cl:3]-[C:4]-[Cl:5]	1	124
+[C:1](-[c:2])-[Cl:3]>>[C:1](-[c:2])(=[O:8])-[O:9]-[C:10]-[C:11].[Cl:3]-[S:5](=[O:4])(-[C:6])=[O:7]	1	125
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[C:4]-[Cl:5].[C:1](-[c:2])=[O:6]	1	126
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[S:4](-[Cl:7])=[O:8].[C:1](-[c:2])(-[O:5])=[O:6]	1	127
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[S:4](-[Cl:7])=[O:8].[C:1](-[c:2])(=[O:5])-[O:6]	1	128
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1](-[c:2])(-[O:7])=[O:8]	1	129
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1](-[c:2])=[O:7]	1	130
+[C:1](-[c:2])-[O:3]>>[C:1](-[c:2])(-[O:3]-[C:4])=[O:5]	2	131,132
+[C:1](-[c:2])-[O:3]>>[C:1](-[c:2])-[Br:7].[O:3]-[C:5](-[C:4])=[O:6]	1	133
+[C:1](-[c:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8].[C:1](-[c:2])=[O:7]	1	134
+[C:1](-[c:2])-[c:4](:[c:3]):[c:5]>>[C:1](-[c:2])(=[O:6])-[O:7].[c:3]:[c:4]:[c:5]	1	135
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(-[O:3])=[O:4]	2	136,137
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+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(=[O:3])-[O:4]-[C:5]	2	140,141
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(=[O:3])-[O:4]-[C:5]-[C:6]	1	142
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])-[Br:7].[O:3]-[C:5](-[C:4])=[O:6]	1	143
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+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])-[O:3]-[C:4](-[C:5])=[O:6]	1	145
+[C:1](-[c:2])=[O:3]>>[O-:3]-[N+:4]-1(-[C:5])-[C:6]-[C:7]-[O:8]-[C:9]-[C:10]-1.[C:1]-[c:2]	1	146
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+[C:1](-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:2-[C:7](=[O:8])-[N:9]-[C:10](-[C:11])=[N:12]-[n:13]:1:2)-[C:14](-[C:15])-[O:16]>>[C:1](-[C:2](-[N:3]-[C:4](-[C:5])-[c:6]:1:[c:7](-[O:8]):[n:9]:[c:10](-[C:11]):[n:12]:[n:13]:1)=[O:17])-[C:14](-[C:15])=[O:16]	1	148
+[C:1](-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:2-[C:7](=[O:8])-[N:9]=[C:10](-[C:11])-[N:12]-[n:13]:1:2)-[C:14](-[C:15])=[O:16]>>[C:1](-[C:2](=[O:17])-[O:18])-[C:14](-[C:15])=[O:16].[N:3]-[C:4](-[C:5])-[c:6]:1:[c:7](-[O:8]):[n:9]:[c:10](-[C:11]):[n:12]:[n:13]:1	1	149
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+[C:1](-[c:2]:[c:3]:[n:4])=[O:5]>>[C:1](-[c:2]:[c:3]:[n:4])(=[O:5])-[O:6]-[C:7]	1	153
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+[C:1](-[c:2]:[c:4]:[n:3])-[Cl:5]>>[Cl:5]-[C:6]-[Cl:7].[C:1](-[c:2]:[c:4]:[n:3])=[O:8]	1	155
+[C:1](=[C:2]-[C:3](-[c:4](:[c:5]):[c:6])=[O:8])-[N:7]>>[C:2]=[C:3](-[O:8]-[C:13]-[C:14])-[Sn:15](-[C:16]-[C:17]-[C:18]-[C:19])(-[C:20]-[C:21]-[C:22]-[C:23])-[C:24]-[C:25]-[C:26]-[C:27].[C:1](-[N:7])(-[O:9]-[C:10])-[O:11]-[C:12].[c:4](:[c:5])(:[c:6])-[Br:28]	1	156
+[C:1](=[O:2])(-[C:3])-[Cl:4]>>[C:1](=[O:2])(-[C:3])-[O:8]-[C:9]-[C:10].[Cl:4]-[S:6](-[Cl:5])=[O:7]	1	157
+[C:1](=[O:2])(-[C:3])-[O:4]>>[C:1](-[O:2])-[C:3].[O:4]	1	158
+[C:1](=[O:2])(-[C:3]-1-[C:4]-[C:5](=[O:6])-[N:7](-[c:8])-[C:9]-1)-[O:11]-[C:10]>>[C:1](=[O:2])(-[C:3](-[C:4]-[C:5](-[O:6])=[O:13])=[C:9])-[O:12].[C:10]-[O:11].[N:7]-[c:8]	1	159
+[C:1](=[O:2])(-[C:3]-[C:4](=[O:5])-[N:6]-[c:7])-[O:8]>>[C:1](=[O:2])(-[C:3]-[C:4](=[O:5])-[Cl:9])-[O:8].[N+:6](-[c:7])(=[O:10])-[O-:11]	1	160
+[C:1](=[O:2])(-[C:3]-[C:4])-[C:5]>>[O:2]-[O:6].[C:1](=[C:3]-[C:4])-[C:5]	1	161
+[C:1](=[O:2])(-[C:3]-[O:4]-[C:5])-[O:7]>>[C:1](=[O:2])(-[C:3]-[Br:8])-[O:7].[O:4](-[C:5])-[C:6](-[C:9])=[O:10]	1	162
+[C:1](=[O:2])(-[N:3]-[c:4]:[c:5]:[n:6])-[O:9]>>[N+:3](-[c:4]:[c:5]:[n:6])(=[O:7])-[O-:8].[C:1](=[O:2])(-[O:9])-[Cl:10]	1	163
+[C:1](=[O:2])(-[c:3](:[c:4]):[n:5])-[O:6]>>[C:1](-[O:2]-[C:7]-[C:8])(-[c:3](:[c:4]):[n:5])-[O:9]-[C:10]-[C:11].[O:6]-[O:12]-[S:13](=[O:14])-[O:15]	1	164
+[C:1](=[O:2])(-[c:3](:[c:4]):[s:5])-[Cl:6]>>[Cl:6]-[C:7](-[C:8](=[O:9])-[Cl:10])=[O:11].[C:1](=[O:2])(-[c:3](:[c:4]):[s:5])-[O:12]-[C:13]	2	165,166
+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[C:1](=[O:2])(-[c:3])-[O:8]-[C:9]-[C:10].[Cl:4]-[S:6](-[Cl:5])=[O:7]	1	167
+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[Cl:4]-[S:5](-[Cl:6])=[O:10].[C:1](=[O:2])(-[c:3])-[O:7]-[C:8]-[C:9]	1	168
+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[C:1](=[O:2])(-[c:3])-[O:8]-[C:9]	2	169,170
+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[C:1](=[O:2])(-[c:3])-[O:8]-[C:9]-[C:10]	1	171
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1)-[O:8]>>[O:8]=[C:9](-[C:10])-[C:11].[C:1](=[O:2])(-[C:13](-[Cl:12])(-[Cl:14])-[Cl:15])-[Cl:16].[c:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1	1	172
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1)-[O:8]>>[C:1](=[O:2])(-[C:12](-[F:9])(-[F:10])-[F:11])-[O:13]-[C:14](-[C:15](-[F:16])(-[F:17])-[F:18])=[O:19].[O:8].[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1	1	173
+[C:1](=[O:2])(-[c:3]:1:[n:4]:[o:5]:[c:6](-[c:7]):[c:8]:1)-[O:9]>>[C:1](=[O:2])(-[C:3](=[O:11])-[O:12]-[C:13]-[C:14])-[O:9].[N:4]-[O:5].[C:6](-[c:7])(-[C:8])=[O:10]	1	174
+[C:1](=[O:2])(-[c:3]:[c:5]:[n:4])-[N:7](-[O:6])-[C:8]>>[C:1](=[O:2])(-[c:3]:[c:5]:[n:4])-[O:9]-[C:10]-[C:11].[O:6]-[N:7]-[C:8]	1	175
+[C:1](=[O:2])-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[C:1](=[O:2])-[C:3](=[O:4])-[O:7]-[C:8]-[C:9]	1	176
+[C:1](=[O:2])-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1](=[O:2])-[C:3]	1	177
+[C:1](=[O:2])-[C:3]=[C:4]-[C:5](-[c:6](:[n:7]):[n:8])=[C:9]>>[C:4](=[O:10])-[O:30]-[C:31]-[C:32].[C:5](-[c:6](:[n:7]):[n:8])=[C:9].[C:1](=[O:2])-[C:3]=[P:11](-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)(-[c:18]:2:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:2)-[c:24]:3:[c:25]:[c:26]:[c:27]:[c:28]:[c:29]:3	1	178
+[C:1](=[O:2])-[O:3]-[C:4]-[C:5]-[C:6]=[C:7]>>[C:4](-[C:5]-[C:6]=[C:7])-[O:8].[C:1](=[O:2])-[O:3]	1	179
+[C:1](=[O:2])-[O:3]-[C:4]-[c:5]>>[C:1](=[O:2])-[O:3]-[C:6].[C:4](-[c:5])-[Br:7]	1	180
+[C:1](=[O:2])-[O:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[O:8].[C:1](=[O:2])-[O:3]-[C:7]	1	181
+[C:1](=[O:2])-[c:3]>>[C:1](=[O:2])(-[c:3])-[O:4]	1	182
+[C:1](=[O:2])=[N:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[C:8]):[s:9]:1>>[C:7](-[C:8])(=[O:12])-[O:13].[C:1](=[O:2])(-[Cl:10])-[Cl:11].[N:3]-[C:4](-[N:5]-[N:6])=[S:9]	1	183
+[C:1](=[S:2])=[N:3]-[c:4]>>[C:1](=[S:2])(-[Cl:5])-[Cl:6].[N+:3](-[c:4])(=[O:7])-[O-:8]	2	184,185
+[C:1]-1-[C:2](-[O:3]-1)(-[C:4])-[C:5]>>[C:2]-1(-[O:3]-[C:9]-[C:10]-[O:11]-1)(-[C:4])-[C:5].[C:1]-[S:6](-[C:7])=[O:8]	1	186
+[C:1]-1-[C:2]-[N:3](-[C:4])-[C:5](-[C:6]-[O:7]-1)=[O:8]>>[C:5](-[C:6]-[Cl:9])(=[O:8])-[Cl:10].[C:1](-[C:2]-[N:3]-[C:4])-[O:7]	1	187
+[C:1]-1-[C:2]-[N:3](-[c:4])-[C:5](=[O:6])-[O:7]-1>>[N:3]-[c:4].[C:1]-1-[C:2]-[O:7]-1.[C:5](=[O:6])(-[Cl:8])-[Cl:9]	1	188
+[C:1]-1-[C:2]-[O:3]-[C:4]-[C:5](-[N:6]-1)=[O:7]>>[C:4](-[C:5](=[O:7])-[Cl:9])-[Cl:8].[C:1](-[C:2]-[O:3])-[N:6]	1	189
+[C:1]-1-[N:2]-[C:3](=[O:4])-[C:5](-[c:6])=[C:7]-1-[O:8]>>[C:1](-[N:2])-[C:7](=[O:8])-[O:10]-[C:9].[C:3](=[O:4])(-[C:5]-[c:6])-[O:11]	1	190
+[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[O:9].[N:6](-[C:7])(-[C:8])-[C:10](=[O:11])-[O:12]-[C:13]-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1	1	191
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]#[C:3]-[Si:7](-[C:8])(-[C:9])-[C:10].[c:4](:[c:5])(:[c:6])-[I:11]	1	192
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]:[c:6]:[s:8]):[c:7]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5]:[c:6]:[s:8])(:[c:7])-[O:9]	1	193
+[C:1]-[C:2]#[N:3]>>[C:1]-[C:2](=[O:4])-[O:5]-[C:6]-[C:7].[N:3]	1	194
+[C:1]-[C:2]#[N:3]>>[C:1]-[C:2](=[O:4])-[O:5]-[C:6].[N:3]	1	195
+[C:1]-[C:2]#[N:3]>>[C:1]-[C:2](=[O:4])-[O:5].[N:3]	7	196,197,198,199,200,201,202
+[C:1]-[C:2]#[N:3]>>[N:3].[C:1]-[C:2](=[O:4])-[O:5]	3	203,204,205
+[C:1]-[C:2]#[N:3]>>[N:3].[C:1]-[C:2](=[O:4])-[O:5]-[C:6]	1	206
+[C:1]-[C:2]#[N:3]>>[N:3].[C:1]-[C:2](=[O:4])-[O:5]-[C:6]-[C:7]	1	207
+[C:1]-[C:2](-[C:3]#[N:4])-[C:5]>>[C:1]-[C:2](-[C:5])-[O:6].[C:3]#[N:4]	1	208
+[C:1]-[C:2](-[C:3]#[N:4])-[C:5]>>[C:1]-[C:2](-[C:5])=[O:17].[C-:3]#[N+:4]-[C:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13]	1	209
+[C:1]-[C:2](-[C:3]#[N:5])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:17].[C-:3]#[N+:5]-[C:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13]	1	210
+[C:1]-[C:2](-[C:3]#[N:5])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:17].[C-:3]#[N+:5]-[C:9]-[S:6](=[O:7])(=[O:8])-[c:16]:1:[c:10]:[c:11]:[c:13](-[C:12]):[c:14]:[c:15]:1	1	211
+[C:1]-[C:2](-[C:3])(-[C:4](=[O:5])-[c:6])-[N:7](-[C:8])-[C:9]>>[C:1]-[C:2](-[C:3])(-[C:4](-[c:6])=[O:11])-[Br:12].[N:7](-[C:8])-[C:9].[O:5]-[C:10]	1	212
+[C:1]-[C:2](-[C:3])(-[C:4](=[O:5])-[c:6])-[N:7](-[C:8])-[C:9]>>[N:7](-[C:8])-[C:9].[C:1]-[C:2](-[C:3])-[C:4](-[c:6])=[O:11].[O:5]-[C:10]	1	213
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N:8](-[C:9])(-[C:10])-[C:19]-[c:20]:1:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:1	4	214,215,216,217
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](=[O:13])-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18].[N:8](-[C:9])(-[C:10])-[C:19]-[c:20]:1:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:1	1	218
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[N:8](-[C:9])(-[C:10])-[C:19](-[O:20]-[C:21]-[C:22])=[O:23].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18]	1	219
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:11]-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:8](-[C:9])-[C:11](-[C:10])=[O:20]	1	220
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[C:11]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[C:9](-[C:10])=[O:20].[N:8]-[C:11]	1	221
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[C:11]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:8](-[C:9](-[C:10])=[O:20])-[C:11]	1	222
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[C:11]>>[N:8](-[C:9](-[C:10])=[O:20])-[C:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	223
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[c:11]>>[N:8](-[C:9](-[C:10])=[O:20])-[c:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](=[O:14])-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19]	1	224
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[c:10])-[C:11]>>[N:8](-[C:9](-[c:10])=[O:20])-[C:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	225
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[c:10])-[C:11]>>[N:8]-[C:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[C:9](-[c:10])(=[O:20])-[O:21]	1	226
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[c:9](:[c:10]):[c:11])-[C:12]>>[N:8]-[C:12].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[c:9](:[c:10])(:[c:11])-[F:21]	1	227
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N:8]#[C:9]-[C:10]	3	228,229,230
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-[C:10]>>[N:8]-[C:9](-[C:10])=[O:19].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18]	1	231
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:10]-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[N:8](-[C:9])-[C:18]-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1	1	232
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:10]-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[N:8](-[C:9])=[N+:18]=[N-:19]	1	233
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:9]:[c:11]:[n:10]>>[N+:8](-[c:9]:[c:11]:[n:10])(=[O:20])-[O-:21].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	234
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:9]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:10]-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[N+:8](-[c:9])(=[O:18])-[O-:19]	1	235
+[C:1]-[C:2](-[C:3])(-[C:4]-[N:5])-[N:6](-[C:7])-[C:8]>>[C:1]-[C:2](-[C:3])=[O:9].[N:6](-[C:7])-[C:8].[C:4]#[N:5]	1	236
+[C:1]-[C:2](-[C:3])(-[C:4]-[N:5]-[C:6](=[O:7])-[c:8])-[N:9](-[C:10])-[C:11]>>[C:1]-[C:2](-[C:3])=[O:12].[N:9](-[C:10])-[C:11].[C:4]#[N:5].[C:6](=[O:7])(-[c:8])-[Cl:13]	1	237
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+[C:1]-[C:2](-[N:3](-[C:4](=[O:5])-[c:6]:[c:7]:[n:8])-[C:9])-[C:10]>>[C:4](=[O:5])(-[c:6]:[c:7]:[n:8])-[O:12].[C:1]-[C:2](-[C:10])=[O:11].[N:3]-[C:9]	1	262
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+[C:1]-[C:2](=[O:3])-[C:4]>>[C:2](=[O:3])-[C:4].[C:1]-[Mg:5]-[Br:6]	2	402,403
+[C:1]-[C:2](=[O:3])-[Cl:4]>>[C:1]-[C:2]#[N:8].[Cl:4]-[S:6](-[Cl:5])=[O:7].[O:3]-[C:9]-[C:10]-[O:11]	1	404
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+[C:1]-[C:2](=[O:3])-[N:4](-[C:5](=[O:6])-[O:7])-[C:8]>>[N:4](-[C:5](=[O:6])-[O:7])-[C:8].[C:1]-[C:2](=[O:3])-[O:9]-[C:10]-[C:11]	1	412
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6](-[C:7])-[c:8]>>[C:6](-[C:7])(-[c:8])=[O:10].[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:9]	1	413
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]>>[C:1]-[C:2](=[O:3])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14].[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]	1	414
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]>>[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9].[C:1]-[C:2](=[O:3])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	415
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7]>>[C:6](-[C:7])-[O:9].[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[Cl:8]	1	416
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7]>>[C:6](-[C:7])=[O:9].[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[Cl:8]	1	417
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](-[O:3]-[C:8])=[O:7].[N:4](-[C:5])-[C:6]	1	418
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8](-[C:9])=[O:10].[N:4](-[C:5])(-[C:6])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17]	3	419,420,421
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9].[N:4](-[C:5])-[C:6]	4	422,423,424,425
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7].[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	5	426,427,428,429,430
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7].[N:4](-[C:5])(-[C:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	431
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7].[N:4](-[C:5])-[C:6]	1	432
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:1]-[C:2](=[O:3])-[Cl:7]	3	433,434,435
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:1]-[C:2](=[O:3])-[O:7]	5	436,437,438,439,440
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[C:1]-[C:2](=[O:3])-[Cl:7]	1	441
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[C:1]-[C:2](=[O:3])-[O:7]	1	442
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[C:1]-[C:2](=[O:3])-[O:7]	1	443
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](-[O:3]-[C:8])=[O:7]	1	444
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]	2	445,446
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]-[C:8]	3	447,448,449
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]	3	450,451,452
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9]	5	453,454,455,456,457
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	458
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+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6](:[c:7]):[c:8]>>[C:1]-[C:2](=[O:3])-[Cl:9].[N:4]-[C:5].[c:6](:[c:7])(:[c:8])-[Br:10]	1	460
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6])-[c:7]>>[C:1]-[C:2](=[O:3])-[Cl:8].[N:4](-[C:5](-[C:6])=[O:9])-[c:7]	1	461
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](-[C:6])-[C:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9](=[O:10])-[C:11].[N:4].[C:5](-[C:6])(-[C:7])=[O:12]	1	462
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](=[C:6](-[N:7])-[N:8])-[C:10](-[N:9])=[O:11]>>[C:5](=[C:6](-[N:7])-[N:8])-[C:10](-[N:9])=[O:11].[C:1]-[C:2](=[O:3])-[O:12].[N:4](=[O:13])-[O:14]	1	463
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](=[C:6](-[N:7])-[N:8])-[C:10](-[N:9])=[O:11]>>[N:4](-[C:5](=[C:6](-[N:7])-[N:8])-[C:10](-[N:9])=[O:11])=[O:13].[C:1]-[C:2](=[O:3])-[O:12]	1	464
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[N:7]-[c:8](:[c:9]):[n:10]>>[C:5](=[O:6])(-[C:11](=[O:12])-[Cl:13])-[Cl:14].[C:1]-[C:2](=[O:3])-[N:4].[N+:7](-[c:8](:[c:9]):[n:10])(=[O:15])-[O-:16]	1	465
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](-[N:7])=[O:8]>>[C:1]-[C:2](=[O:3])-[O:9]-[C:10]-[C:11].[N:4]-[C:5]-[C:6](-[N:7])=[O:8]	1	466
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](-[N:7])=[O:8]>>[C:1]-[C:2](=[O:3])-[O:9].[N:4](-[C:5]-[C:6](-[N:7])=[O:8])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16]	2	467,468
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[N:8]>>[C:1]-[C:2](=[O:3])-[O:9]-[C:10].[N:4]-[C:5]-[C:6](=[O:7])-[N:8]	2	469,470
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[N:8]>>[N:4](-[C:5]-[C:6](=[O:7])-[N:8])-[C:10](=[O:11])-[O:12]-[C:13]-[C:14]-1-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]-1:3.[C:1]-[C:2](-[O:3])=[O:9]	1	471
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[N:4]-[C:5]-[C:6](=[O:7])-[O:8].[C:1]-[C:2](=[O:3])-[O:9]	1	472
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[N:4]-[C:5]-[C:6](=[O:7])-[O:8].[C:1]-[C:2](=[O:3])-[O:9]-[C:10]	2	473,474
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[c:6]>>[N:4]#[C:5]-[c:6].[C:1]-[C:2](=[O:3])-[O:7]	1	475
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[Cl:6].[N:4](-[C:5])-[C:7](-[C:8])=[O:9]	1	476
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[C:5]	1	477
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8].[N:4]-[C:5]	3	478,479,480
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[N:4]-[C:5]	1	481
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[C:5]	3	482,483,484
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4](-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	3	485,486,487
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4](-[C:5])-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	1	488
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4](-[C:5])=[N+:7]=[N-:8]	1	489
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4](-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:1]-[C:2](=[O:3])-[O:6]	3	490,491,492
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4](-[C:5])=[N+:10]=[N-:11].[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])=[O:9]	1	493
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]	1	494
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]	2	495,496
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]	3	497,498,499
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8]	5	500,501,502,503,504
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	505
+[C:1]-[C:2](=[O:3])-[N:4]-[N:5]-1-[N:6]=[C:7](-[N:8])-[c:9](:[c:10]):[c:12](:[c:11])-[C:13]-1=[O:14]>>[n:5]:1:[n:6]:[c:7](-[N:8]):[c:9](:[c:10]):[c:12](:[c:11]):[c:13]:1-[O:14].[C:1]-[C:2](=[O:3])-[O:15].[N:4]-[O:16]-[P:17](=[O:18])(-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1)-[c:25]:2:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:2	1	506
+[C:1]-[C:2](=[O:3])-[N:4]-[N:5]-[C:6](=[O:7])-[N:8]-[C:9]>>[C:6](=[O:7])=[N:8]-[C:9].[C:1]-[C:2](=[O:3])-[O:10]-[C:11]-[C:12].[N:4]-[N:5]	1	507
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[O:5]	1	508
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5]-[C:9]-1-[C:8]-[C:7]-[C:6]-[C:11]-[O:10]-1.[C:1]-[C:2](=[O:3])-[O:12]	2	509,510
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5]-[C:9]-1-[C:8]-[C:7]-[C:6]-[C:11]-[O:10]-1.[C:1]-[C:2](=[O:3])-[O:12]-[C:13]-[C:14]	2	511,512
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5]-[Si:7](-[C:6])(-[C:8])-[C:9].[C:1]-[C:2](=[O:3])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	513
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8]	3	514,515,516
+[C:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[S:5]	1	517
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9](-[C:10])=[O:11].[N+:4](-[O:12])(-[O-:13])=[O:14].[c:5](:[c:6]):[c:7]	1	518
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9](-[C:10])=[O:11].[N+:4](=[O:12])(-[O-:13])-[O:14].[c:5](:[c:6]):[c:7]	1	519
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[n:7]>>[C:1]-[C:2](=[O:3])-[O:8].[N:4](-[c:5](:[c:6]):[n:7])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13](-[O:14]-[C:15]):[c:16]:[c:17]:1	2	520,521
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[n:9]:[c:8]:[c:7]>>[C:1]-[C:2](=[O:3])-[O:10].[c:5](:[c:6])(:[n:9]:[c:8]:[c:7])-[F:20].[N:4]-[C:17]-[c:16]:1:[c:15]:[c:14]:[c:13](-[O:12]-[C:11]):[c:19]:[c:18]:1	2	522,523
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]:[n:7]):[c:9]:[n:8]>>[C:1]-[C:2](=[O:3])-[Cl:10].[N+:4](-[c:5](:[c:6]:[n:7]):[c:9]:[n:8])(=[O:11])-[O-:12]	1	524
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9].[N:4]-[c:5](:[n:6]):[c:7]	2	525,526
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:8].[N+:4](-[c:5](:[n:6]):[c:7])(=[O:9])-[O-:10]	1	527
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[N+:4](-[c:5](:[n:6]):[c:7])(=[O:9])-[O-:10].[C:1]-[C:2](=[O:3])-[O:8]	1	528
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[N:4]-[c:5](:[n:6]):[c:7].[C:1]-[C:2](=[O:3])-[O:8]-[C:9]	2	529,530
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[C:1]-[C:2](=[O:3])-[O:8]-[C:9]	1	531
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]>>[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[F:11].[C:1]-[C:2](=[O:3])-[O:10].[N:4]	1	532
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:6]:[n:7]>>[N+:4](-[c:5]:[c:6]:[n:7])(=[O:9])-[O-:10].[C:1]-[C:2](=[O:3])-[Cl:8]	1	533
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[C:1]-[C:2](=[O:3])-[O:8].[N+:4](-[c:5]:[c:7]:[n:6])(=[O:9])-[O-:10]	2	534,535
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[Cl:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	10	536,537,538,539,540,541,542,543,544,545
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[Cl:6].[N:4](-[c:5])-[C:7](-[C:8])=[O:9]	2	546,547
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[c:5]	2	548,549
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])=[O:9].[N+:4](-[c:5])(=[O:10])-[O-:11]	7	550,551,552,553,554,555,556
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8].[N:4]-[c:5]	2	557,558
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[c:5]	6	559,560,561,562,563,564
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	2	565,566
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4](-[c:5])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	567
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4]-[c:5]	1	568
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9].[N+:4](-[c:5])(=[O:6])-[O-:7]	1	569
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:10])-[O-:11].[C:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])=[O:9]	1	570
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:7])-[O-:8].[C:1]-[C:2](=[O:3])-[O:6]	1	571
+[C:1]-[C:2](=[O:3])-[N:5](-[O:4])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8].[O:4]-[N:5]-[C:6]	1	572
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:6]-[Br:7])-[C:8]>>[Br:7].[C:5](=[C:6])-[C:8].[O:4]=[C:10](-[C:11])-[C:12].[C:1]-[C:2](=[O:3])-[O:9]	1	573
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[c:6](:[n:7]):[c:8])-[C:9]-1(-[Br:10])-[C:11](=[O:12])-[N:13]-[C:14]-1>>[C:1]-[C:2](=[O:3])-[O:15]-[C:16](-[C:17])=[O:18].[C:9]-1(-[Br:10])-[C:11](=[O:12])-[N:13]-[C:14]-1.[O:4]-[C:5]-[c:6](:[n:7]):[c:8]	1	574
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]>>[C:5](-[C:6])-[O:8].[C:1]-[C:2](=[O:3])-[O:4]-[C:7]	1	575
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6](:[c:7]):[n:8]>>[O:4]=[C:5](-[c:6](:[c:7]):[n:8])-[O:10]-[C:11]-[C:12].[C:1]-[C:2](=[O:3])-[Cl:9]	1	576
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[C:1]-[C:2](=[O:3])-[Cl:7].[O:4]=[C:5]-[c:6]	1	577
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[C:1]-[C:2](=[O:3])-[O:4].[C:5]-[c:6]	2	578,579
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8](-[C:9])=[O:10].[O:4]=[C:5]-[c:6]	1	580
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[C:5]-[c:6].[C:1]-[C:2](=[O:3])-[O:4]	1	581
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]>>[O:4]=[C:5]-[c:6].[C:1]-[C:2](=[O:3])-[Cl:7]	1	582
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[C:1]-[C:2]#[N:6].[O:4]-[C:5].[O:3]	1	583
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2]#[N:6].[O:3]	1	584
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]	2	585,586
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]	1	587
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8]	1	588
+[C:1]-[C:2](=[O:3])-[O:4]-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11]>>[C:1]-[C:2](=[O:3])-[O:12]-[C:13]-[C:14].[O:4]-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11]	1	589
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]#[N:7].[O:4]-[C:6]-[C:5].[O:3]-[O:8]	1	590
+[C:1]-[C:2](=[O:3])-[S:4]-[C:5](-[C:6])-[C:7]>>[C:1]-[C:2](-[O:3])=[S:4].[C:5](-[C:6])(-[C:7])-[O:8]	1	591
+[C:1]-[C:2](=[O:3])-[S:4]-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])-[O:8].[C:1]-[C:2](-[O:3])=[S:4]	1	592
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]=[O:3].[c:4](:[c:5])(:[c:6])-[Mg:7]-[Br:8]	1	593
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Mg:7]-[Br:8].[C:1]-[C:2](=[O:3])-[O:9]	1	594
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5]):[c:6].[C:1]-[C:2](=[O:3])-[O:7]	1	595
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:7]:[n:6]>>[C:1]-[C:2]=[O:3].[c:4](:[c:5]):[c:7]:[n:6]	1	596
+[C:1]-[C:2](=[O:3])-[c:4]>>[C:1]-[Mg:5]-[Br:6].[C:2](-[O:3])(-[c:4])=[O:7]	1	597
+[C:1]-[C:2]-1(-[C:3])-[C:4](-[O:5]-[C:7])(-[c:6])-[O:8]-1>>[C:1]-[C:2](-[C:3])-[C:4](-[c:6])=[O:8].[O:5]-[C:7]	1	598
+[C:1]-[C:2]-1(-[C:3])-[C:4](-[c:5](:[c:6]):[c:7]-[N:8]-[C:9]-1-[c:10])-[O:11]>>[C:1]-[C:2](-[C:3])-[C:4]=[O:11].[c:5](:[c:6]):[c:7]-[N:8].[C:9](-[c:10])=[O:12]	1	599
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]:[c:10]-1:[c:9]>>[C:1]-[C:2](-[C:3])=[C:4]-[C:5](=[O:6])-[Cl:11].[N:7]-[c:8]:[c:10]:[c:9]	1	600
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[c:5](:[c:6]):[c:7]-[N:8]-[C:9]-1-[c:10]>>[C:1]-[C:2](-[C:3])-[C:4]=[O:11].[c:5](:[c:6]):[c:7]-[N:8].[C:9](-[c:10])=[O:12]	1	601
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[c:5](:[c:6]):[c:7]-[N:8]-[C:9]-1-[c:10]>>[C:1]-[C:2](-[C:3])-[C:4]=[O:11].[c:5](:[c:6]):[c:7]-[N:8]=[C:9]-[c:10]	1	602
+[C:1]-[C:2]-1(-[C:3])-[N:4]-[C:5](=[O:6])-[c:7](:[c:8]-[N:10]-1):[s:9]>>[C:1]-[C:2](-[C:3])=[O:11].[N:4].[C:5](=[O:6])(-[c:7](:[c:8]-[N:10]):[s:9])-[O:12]	1	603
+[C:1]-[C:2]-1(-[C:3]-[C:4]-[C:5](=[O:6])-[C:7]=[C:8]-1-[c:9])-[C:10]>>[C:3]=[C:4]-[C:5](=[O:6])-[C:7].[C:1]-[C:2](-[C:8](-[c:9])=[O:11])-[C:10]	2	604,605
+[C:1]-[C:2]-1(-[C:3]-[N:4]-[C:5](=[O:6])-[C:7]-1)-[C:8]>>[C:1]-[C:2](=[C:7]-[C:5](=[O:6])-[O:11]-[C:10]-[C:9])-[C:8].[C:3]-[N+:4](=[O:12])-[O-:13]	1	606
+[C:1]-[C:2]-1-[C:3]-[C:4](-[c:5])=[N:6]-[O:7]-1>>[C:1]-[C:2]=[C:3].[C:4](-[c:5])=[O:8].[N:6]-[O:7]	1	607
+[C:1]-[C:2]-1-[C:3]-[C:4](-[c:5])=[N:6]-[O:7]-1>>[C:1]-[C:2]=[C:3].[N:6]-[O:7].[C:4](-[c:5])=[O:8]	1	608
+[C:1]-[C:2]-1-[C:3]-[O:4]-1>>[O:4]-[O:25]-[C:26](=[O:27])-[c:28]:1:[c:29]:[c:30]:[c:31]:[c:32](-[Cl:33]):[c:34]:1.[C:3]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3.[C:1]-[C:2]=[O:24]	1	609
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[N:6]-[c:7])-[C:8](=[O:9])-[N:10]-[N:11]-1>>[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:12]-[C:13]-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[C:8](=[O:9])-[N:10]-[N:11]-1.[N:6]-[c:7]	1	610
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[N:6]-[c:7])-[C:8](=[O:9])-[N:10]-[N:11]-1>>[N+:6](-[c:7])(=[O:13])-[O-:14].[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:12])-[C:8](=[O:9])-[N:10]-[N:11]-1	1	611
+[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5](=[O:6])-[N:7](-[c:8](:[c:9]):[c:10])-[C:11](-[C:12])=[N:13]-1>>[N:7]=[C:11](-[C:12])-[N:13].[c:8](:[c:9])(:[c:10])-[B:17](-[O:18])-[O:19].[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:14]-[C:15])=[O:16]	1	612
+[C:1]-[C:2]-1=[C:3]-[C:4](=[C:5]=[N-:6])-[N+:7](-[C:8]=[C:9]-1)=[O:10]>>[C:1]-[c:2]:1:[c:3]:[c:4]:[n:7]:[c:8]:[c:9]:1.[C:5](#[N:6])-[Si:21](-[C:22])(-[C:23])-[C:24].[O:10]-[O:11]-[C:12](=[O:13])-[c:14]:1:[c:15]:[c:16](:[c:17]:[c:18]:[c:19]:1)-[Cl:20]	1	613
+[C:1]-[C:2]-1=[C:3]-[C:4](=[C:5]=[N-:6])-[N+:7](-[C:8]=[C:9]-1)=[O:10]>>[C:5](#[N:6])-[Si:21](-[C:22])(-[C:23])-[C:24].[O:10]-[O:11]-[C:12](=[O:13])-[c:14]:1:[c:15]:[c:16](:[c:17]:[c:18]:[c:19]:1)-[Cl:20].[C:1]-[c:2]:1:[c:3]:[c:4]:[n:7]:[c:8]:[c:9]:1	1	614
+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-1-[C:8]-[c:9]>>[C:8]-[c:9].[C:1]-[C:2]=1-[N:3]-[N:4]-[C:5](=[O:6])-[N:7]=1	1	615
+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-1-[c:8]>>[C:1]-[C:2](-[N:3]-[N:4])=[O:9].[C:5](=[O:6])=[N:7]-[c:8]	1	616
+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-1-[c:8]>>[C:1]-[C:2](=[O:9])-[O:10]-[C:11]-[C:12].[C:5](=[O:6])=[N:7]-[c:8].[N:3]-[N:4]	1	617
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[Br:4].[C:1]-[C:2](-[O:5])=[O:6]	1	618
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2](-[O:8])=[O:9]	2	619,620
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2](-[O:8]-[C:10]-[C:11])=[O:9]	1	621
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2](=[O:8])-[O:9]-[C:10]	1	622
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2]-[O:8]-[C:9](-[C:10])=[O:11]	1	623
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[C:1]-[C:2]-[O:8]-[C:9]-1-[C:10]-[C:11]-[C:12]-[C:13]-[O:14]-1	1	624
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[C:1]-[C:2]-[O:7]-[Si:8](-[C:9])(-[C:10])-[C:11](-[C:12])(-[C:13])-[C:14]	1	625
+[C:1]-[C:2]-[Br:3]>>[Br:3].[C:1]-[C:2]-[O:4]	1	626
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2](-[O:5])=[O:6].[C:3]#[N:4]	1	627
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2]-[O:5].[C:3]#[N:4]	6	628,629,630,631,632,633
+[C:1]-[C:2]-[C:3](-[C:4](=[O:5])-[O:6]-[C:7])-[c:8]>>[O:6]-[C:7].[C:1]-[C:2]-[I:10].[C:3](-[C:4](=[O:5])-[O:9])-[c:8]	1	634
+[C:1]-[C:2]-[C:3](-[N:4])=[O:5]>>[C:1]-[C:2]-[O:6]-[S:7](=[O:8])(=[O:9])-[C:10].[C:3]#[N:4].[O:5]-[O:11]	1	635
+[C:1]-[C:2]-[C:3](-[O:4])-[C:5]>>[C:1]-[C:2]-[Mg:6]-[Br:7].[C:3](-[O:4])-[C:5]	1	636
+[C:1]-[C:2]-[C:3](-[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[C:2]-[Mg:8]-[Br:9].[C:3](-[O:4])-[c:5]:[c:6]:[n:7]	1	637
+[C:1]-[C:2]-[C:3](-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1)(-[C:9])-[c:10]>>[C:3](-[C:9])(-[c:10])=[O:11].[C:1]-[C:2]-[Mg:12]-[Br:13].[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1	1	638
+[C:1]-[C:2]-[C:3](=[O:4])-[N:5]>>[C:3]#[N:5].[C:1]-[C:2]-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10].[O:4]-[O:11]	1	639
+[C:1]-[C:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[C:2]-[Mg:6]-[Br:7].[C:3](=[O:4])-[c:5]	1	640
+[C:1]-[C:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]=[O:7].[C:3](-[C:4](=[O:5])-[O:6])=[P:8](-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)(-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2)-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:3	1	641
+[C:1]-[C:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[C:1]-[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	2	642,643
+[C:1]-[C:2]-[C:3]-[C:4]>>[C:3](-[C:4])=[O:5].[C:1]-[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	3	644,645,646
+[C:1]-[C:2]-[C:3]-[O:4]>>[C:1]-[C:2]=[C:3]-[O:4]-[C:5]	1	647
+[C:1]-[C:2]-[C:3]-[O:4]>>[O:4]-[O:25].[C:3]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3.[C:1]-[C:2]=[O:24]	1	648
+[C:1]-[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:6])-[Br:7]	2	649,650
+[C:1]-[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Br:7].[C:1]-[C:2]=[C:3]	1	651
+[C:1]-[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[I:7].[C:1]-[C:2]#[C:3]	1	652
+[C:1]-[C:2]-[C:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[C:1]-[C:2]#[C:3].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:9]	1	653
+[C:1]-[C:2]-[C:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:9].[C:1]-[C:2]#[C:3]	1	654
+[C:1]-[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])=[O:5].[C:1]-[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	1	655
+[C:1]-[C:2]-[Cl:3]>>[C:1]-[C:2](=[O:7])-[O:8]-[C:9]-[C:10].[Cl:3]-[S:4](=[O:5])-[Cl:6]	1	656
+[C:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1]-[C:2](-[O:7])=[O:8]	1	657
+[C:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[C:1]-[C:2](-[O:7]-[C:9]-[C:10])=[O:8]	1	658
+[C:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:5](-[Cl:4])=[O:6].[C:1]-[C:2]-[O:7]-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	659
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2](=[O:4])-[O:5]-[C:6]-[C:7].[I:3]	1	660
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2](=[O:5])-[O:6]-[C:7]-[C:8].[I:3]-[I:4]	2	661,662
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2](=[O:5])-[O:6].[I:3]-[I:4]	1	663
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2]-[O:4]-[C:5]-1-[C:6]-[C:7]-[C:8]-[C:9]-[O:10]-1.[I:3]	1	664
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2]-[O:4].[I:3]	3	665,666,667
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[C:6])-[C:7]>>[N:3](-[C:4](=[O:5])-[C:6])-[C:7].[C:1]-[C:2]-[O:8]	2	668,669
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[C:11]>>[C:1]-[C:2]=[O:12].[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[N:3]-[C:11]	1	670
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[C:11]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[C:2]-[Br:12].[N:3]-[C:11]	1	671
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[C:7]>>[C:1]-[C:2](=[O:9])-[O:10].[C:5](=[O:6])(-[C:7])-[O:8].[N:3]-[C:4]	1	672
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[C:7]>>[C:5](=[O:6])(-[C:7])-[O:9].[C:1]-[C:2](-[N:3]-[C:4])=[O:8]	1	673
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[C:7]>>[C:5](=[O:6])(-[C:7])-[O:9].[N:3]-[C:4].[C:1]-[C:2]=[O:8]	1	674
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[N:7]>>[C:1]-[C:2]-[Br:8].[C:5](=[O:6])(-[N:7])-[Cl:9].[N:3]-[C:4]	1	675
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:3]-[C:4].[C:1]-[C:2](=[O:20])-[O:21]	1	676
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[C:2](-[N:3]-[C:4])=[O:12]	1	677
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](-[Br:6])-[Br:7].[N:3](-[C:4])-[C:5]	1	678
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](-[O:6]-[C:7])-[O:8]-[C:9].[N:3](-[C:4])-[C:5]	1	679
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](-[O:6]-[C:7]-[C:8])-[O:9]-[C:10]-[C:11].[N:3](-[C:4])-[C:5]	1	680
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9].[N:3](-[C:4])-[C:5]	1	681
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2](=[O:6])-[O:7].[N:3](-[C:4])-[C:5]	2	682,683
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-1-[O:6]-[C:7]-[C:8]-[O:9]-1.[N:3](-[C:4])-[C:5]	2	684,685
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[Br:6].[C:4]=[O:7].[N:3]-[C:5]	1	686
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[Br:6].[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	4	687,688,689,690
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[I:6].[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	691
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[O:6].[N:3](-[C:4])-[C:5]	10	692,693,694,695,696,697,698,699,700,701
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]=[O:6].[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	2	702,703
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]=[O:6].[N:3](-[C:4])(-[C:5])-[C:7](=[O:8])-[C:9](-[F:10])(-[F:11])-[F:12]	1	704
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]=[O:6].[N:3](-[C:4])(-[C:5])-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	1	705
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:1]-[C:2]-[Br:6]	1	706
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](-[O:6]-[C:7])-[O:8]-[C:9]	1	707
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](=[O:6])-[O:7]	6	708,709,710,711,712,713
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](=[O:6])-[O:7]-[C:8]	1	714
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9]	2	715,716
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[Cl:6]	1	717
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:6]	29	718,719,720,721,722,723,724,725,726,727,728,729,730,731,732,733,734,735,736,737,738,739,740,741,742,743,744,745,746
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:6]-[C:7](-[C:8])=[O:9]	1	747
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:6]-[Si:7](-[C:8](-[C:9])(-[C:10])-[C:11])(-[C:12])-[C:13]	1	748
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:6]-[Si:7](-[C:8])(-[C:9])-[C:10](-[C:11])(-[C:12])-[C:13]	1	749
+[C:1]-[C:2]-[N:3](-[C:4])-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:1]-[C:2]=[O:9].[N:3]-[C:4].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:10]	1	750
+[C:1]-[C:2]-[N:3](-[C:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](-[N:3]-[C:4])=[O:8].[c:5](:[c:6])(:[c:7])-[F:9]	1	751
+[C:1]-[C:2]-[N:3](-[C:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](=[O:9])-[O:10].[N:3]-[C:4].[c:5](:[c:6])(:[c:7])-[F:8]	1	752
+[C:1]-[C:2]-[N:3](-[C:4]-[C:5](-[N:6])=[O:9])-[c:7]>>[C:1]-[C:2](-[N:3]-[c:7])=[O:8].[C:4](-[C:5](-[N:6])=[O:9])-[I:10]	1	753
+[C:1]-[C:2]-[N:3](-[C:4]-[C:5]-[N:6])-[c:7]>>[C:1]-[C:2](-[N:3]-[c:7])=[O:8].[C:4](-[C:5](-[N:6])=[O:9])-[I:10]	1	754
+[C:1]-[C:2]-[N:3](-[C:4]-[c:5])-[c:6]>>[C:1]-[C:2]=[O:7].[N:3]-[c:6].[C:4](-[c:5])-[Br:8]	1	755
+[C:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:6]=[O:7]>>[C:1]-[C:2]-[O:8].[N:3](-[C:4]=[O:5])-[C:6]=[O:7]	1	756
+[C:1]-[C:2]-[N:3](-[C:5]=[O:4])-[C:6]=[O:7]>>[C:1]-[C:2]-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[N:3](-[C:5]=[O:4])-[C:6]=[O:7]	1	757
+[C:1]-[C:2]-[N:3](-[C:5]=[O:4])-[C:6]=[O:7]>>[N:3](-[C:5]=[O:4])-[C:6]=[O:7].[C:1]-[C:2]-[O:8]	1	758
+[C:1]-[C:2]-[N:3](-[c:4])-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])=[O:9].[C:1]-[C:2]=[O:8].[N:3]-[c:4]	1	759
+[C:1]-[C:2]-[N:3](-[c:4])-[C:5]-[C:6]>>[C:1]-[C:2]-[Cl:7].[C:5](-[C:6])-[Cl:8].[N+:3](-[c:4])(=[O:9])-[O-:10]	1	760
+[C:1]-[C:2]-[N:3](-[c:4])-[C:5]-[C:6]>>[C:1]-[C:2]-[Cl:8].[C:5](-[C:6])-[Cl:7].[N+:3](-[c:4])(=[O:9])-[O-:10]	1	761
+[C:1]-[C:2]-[N:3](-[c:4])-[C:6](-[C:5])=[O:7]>>[C:5]-[C:6](=[O:7])-[O:9]-[C:10](-[C:11])=[O:12].[C:1]-[C:2](-[N:3]-[c:4])=[O:8]	1	762
+[C:1]-[C:2]-[N:3]-1-[C:4]-[C:5]-[N:6]-[C:7]-[c:8](:[c:9]-1):[c:10]>>[C:7]=[O:14].[C:1]-[C:2](-[N:3]-[c:9]:[c:8]:[c:10])=[O:11].[C:4](-[C:5](-[N:6])=[O:12])-[I:13]	1	763
+[C:1]-[C:2]-[N:3]-1-[c:4](:[c:5]-[N:7](-[c:8])-[S:9]-1(=[O:10])=[O:11]):[c:6]>>[C:1]-[C:2]-[O:12].[N:3]-[S:9](=[O:10])(=[O:11])-[N:13].[c:4](:[c:5]-[N:7]-[c:8])(:[c:6])-[N:14]	1	764
+[C:1]-[C:2]-[N:3]-[C:4](-[C:5])=[O:6]>>[C:1]-[C:2]#[N:3].[C:4](-[C:5])(=[O:6])-[O:7]	1	765
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[C:6]>>[C:1]-[C:2]#[N:3].[C:4](=[O:5])(-[C:6])-[O:7]	1	766
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]-[O:10]-[S:11](-[c:12]:1:[c:13]:[c:14]:[c:15](-[C:16]):[c:17]:[c:18]:1)(=[O:19])=[O:20].[N-:3]=[N+:9]=[N-:8].[C:4](=[O:5])(-[O:6])-[Cl:7]	1	767
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]-[O:10].[N-:3]=[N+:9]=[N-:8].[C:4](=[O:5])(-[O:6])-[Cl:7]	1	768
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]:[c:7]:[n:8]>>[C:4](-[O:5])(-[c:6]:[c:7]:[n:8])=[O:9].[C:1]-[C:2]#[N:3]	1	769
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:1]-[C:2]#[N:3].[C:4](=[O:5])(-[c:6])-[Cl:7]	3	770,771,772
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:1]-[C:2]#[N:3].[C:4](=[O:5])(-[c:6])-[O:7]	1	773
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[O:7].[C:1]-[C:2]#[N:3]	1	774
+[C:1]-[C:2]-[N:3]-[C:4]-[C:5]-[O:6]>>[C:1]-[C:2](-[N:3])=[O:7].[C:4]-1-[C:5]-[O:6]-1	1	775
+[C:1]-[C:2]-[N:3]-[C:4]-[C:5]>>[C:1]-[C:2]-[Br:6].[N:3]#[C:4]-[C:5]	1	776
+[C:1]-[C:2]-[N:3]-[C:4]-[c:5](:[c:6]):[c:7]>>[C:4]=[O:9].[C:1]-[C:2](-[N:3])=[O:8].[c:5](:[c:6]):[c:7]	1	777
+[C:1]-[C:2]-[N:3]-[C:4]-[c:5]>>[C:1]-[C:2]#[N:3].[C:4](-[c:5])=[O:6]	1	778
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2](-[N:3](-[C:4])-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1)=[O:12]	1	779
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2](=[O:5])-[O:6]-[C:7].[N:3]-[C:4]	2	780,781
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2](=[O:5])-[O:6].[N:3]-[C:4]	2	782,783
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2]-[O:5]-[Si:6](-[C:7])(-[C:8](-[C:9])(-[C:10])-[C:11])-[C:12].[N:3]-[C:4]	1	784
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2]-[O:5].[N:3]-[C:4]	6	785,786,787,788,789,790
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3](-[C:4])=[N+:6]=[N-:7].[C:1]-[C:2]=[O:5]	1	791
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2](-[O:5]-[C:6])-[O:7]-[C:8]	1	792
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[Cl:6]	1	793
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[O:6]	3	794,795,796
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[O:6]-[C:7]-[C:8]	1	797
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[Br:5]	1	798
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[Cl:5]	1	799
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[O:5]	5	800,801,802,803,804
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[O:5]-[Si:6](-[C:7])(-[C:8])-[C:9](-[C:10])(-[C:11])-[C:12]	1	805
+[C:1]-[C:2]-[N:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[N:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:13].[C:1]-[C:2]-[O:8]-[S:9](-[C:10])(=[O:11])=[O:12]	1	806
+[C:1]-[C:2]-[N:3]-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1>>[C:1]-[C:2]#[N:3].[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[Cl:10]	1	807
+[C:1]-[C:2]-[N:3]-[c:4]:[c:6]:[n:5]>>[N+:3](-[c:4]:[c:6]:[n:5])(=[O:8])-[O-:9].[C:1]-[C:2]=[O:7]	1	808
+[C:1]-[C:2]-[N:3]-[c:4]>>[N+:3](-[c:4])(=[O:6])-[O-:7].[C:1]-[C:2]=[O:5]	1	809
+[C:1]-[C:2]-[N:3]=[N+:4]=[N-:5]>>[C:1]-[C:2](-[O:6])=[O:7].[N-:3]=[N+:4]=[N-:5]	1	810
+[C:1]-[C:2]-[N:3]=[N+:4]=[N-:5]>>[C:1]-[C:2]-[O:6].[N-:3]=[N+:4]=[N-:5]	6	811,812,813,814,815,816
+[C:1]-[C:2]-[N:3]=[N+:4]=[N-:5]>>[N-:3]=[N+:4]=[N-:5].[C:1]-[C:2]-[O:6]	2	817,818
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9].[N-:3]=[N+:5]=[N-:4]	1	819
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8].[N-:3]=[N+:5]=[N-:4]	1	820
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2](=[O:6])-[O:7].[N-:3]=[N+:5]=[N-:4]	1	821
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2]-[O:6]-[Si:7](-[C:8](-[C:9])(-[C:10])-[C:11])(-[C:12])-[C:13].[N-:3]=[N+:5]=[N-:4]	1	822
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2]-[O:6].[N-:3]=[N+:5]=[N-:4]	4	823,824,825,826
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[O:6]	2	827,828
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](-[N:3])=[O:4]	1	829
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](=[O:4])-[O:5].[N:3]	2	830,831
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8]-[C:9].[N-:3]=[N+:5]=[N-:4]	1	832
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](=[O:6])-[O:7]-[C:8].[N-:3]=[N+:5]=[N-:4]	1	833
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2](=[O:6])-[O:7].[N-:3]=[N+:5]=[N-:4]	1	834
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[Br:6].[N-:3]=[N+:5]=[N-:4]	1	835
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[C:4](=[O:5])-[O:6].[N:3](-[P:7](=[O:8])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2)=[N+:21]=[N-:22]	1	836
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[I:14].[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	837
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[I:14].[N:3]-1-[C:8](-[c:7]:2:[c:6]:[c:5]:[c:4]:[c:13]:[c:12]:2-[C:11]-1=[O:10])=[O:9]	1	838
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[I:6].[N-:3]=[N+:5]=[N-:4]	1	839
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:11].[N:3]-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:10]:[c:9]:1	1	840
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:14]-[C:15]-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1.[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	841
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:14]-[S:15](-[C:16])(=[O:17])=[O:18].[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	842
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:14].[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	2	843,844
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:5]-[Si:6](-[C:7](-[C:8])(-[C:9])-[C:10])(-[C:11])-[C:12].[N-:3]=[N+:4]=[N-:13]	1	845
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10].[N-:3]=[N+:5]=[N-:4]	1	846
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:6]-[S:7](-[c:8]:1:[c:9]:[c:10]:[c:11](-[C:12]):[c:13]:[c:14]:1)(=[O:15])=[O:16].[N-:3]=[N+:5]=[N-:4]	1	847
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:6].[N-:3]=[N+:5]=[N-:4]	6	848,849,850,851,852,853
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]=[O:11].[N:3]-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:10]:[c:9]:1	1	854
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[Br:6]	1	855
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[O:6]	2	856,857
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10]	3	858,859,860
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2]-[O:6]-[S:7](-[c:8]:1:[c:9]:[c:10]:[c:11](-[C:12]):[c:13]:[c:14]:1)(=[O:15])=[O:16]	1	861
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:5]=[N-:6].[C:1]-[C:2]-[O:4]	1	862
+[C:1]-[C:2]-[N:3]>>[N-:3]=[N+:7]=[N-:8].[C:1]-[C:2](=[O:4])-[O:5]-[C:6]	1	863
+[C:1]-[C:2]-[N:3]>>[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13].[C:1]-[C:2]-[O:14]	2	864,865
+[C:1]-[C:2]-[O:11]-[S:8](-[c:7]:1:[c:6]:[c:5]:[c:4](-[C:3]):[c:13]:[c:12]:1)(=[O:9])=[O:10]>>[C:1]-[C:2](-[O:11])=[O:14].[C:3]-[c:4]:1:[c:5]:[c:6]:[c:7](-[S:8](=[O:9])(=[O:10])-[Cl:15]):[c:12]:[c:13]:1	2	866,867
+[C:1]-[C:2]-[O:3]-[C:4](-[C:5]-[C:6])-[O:7]>>[C:4](=[C:5]-[C:6])-[O:7].[C:1]-[C:2](-[O:3])=[O:8]	1	868
+[C:1]-[C:2]-[O:3]-[C:4](=[O:5])-[C:6]>>[C:1]-[C:2]-[I:7].[C:4](-[C:6])#[N:8].[O:3].[O:5]	1	869
+[C:1]-[C:2]-[O:3]-[C:4]-[c:5]>>[C:1]-[C:2](-[O:3])=[O:6].[C:4](-[c:5])-[Br:7]	2	870,871
+[C:1]-[C:2]-[O:3]-[C:4]>>[C:1]-[C:2]-[O:5].[O:3]-[C:4]	1	872
+[C:1]-[C:2]-[O:3]-[C:4]>>[C:4]-[I:5].[C:1]-[C:2]=[O:3]	1	873
+[C:1]-[C:2]-[O:3]-[C:4]>>[O:3]-[C:4].[C:1]-[C:2]-[O:5]	1	874
+[C:1]-[C:2]-[O:3]-[N:4]>>[C:1]-[C:2]-[O:15].[O:3]-[N:4]-1-[C:6](=[O:5])-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14]	1	875
+[C:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[C:2](-[O:3])=[O:8].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:9]	1	876
+[C:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[C:2](-[O:3]-[C:10]-[C:11])=[O:9].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:8]	1	877
+[C:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:9]-[C:10].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:11]	1	878
+[C:1]-[C:2]-[O:3]-[S:4](=[O:5])(=[O:6])-[c:7]:1:[c:8]:[c:9]:[c:10](-[C:11]):[c:12]:[c:13]:1>>[C:1]-[C:2](=[O:3])-[O:14]-[C:15].[S:4](=[O:5])(=[O:6])(-[c:7]:1:[c:8]:[c:9]:[c:10](-[C:11]):[c:12]:[c:13]:1)-[Cl:16]	1	879
+[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7]>>[C:1]-[C:2](-[O:3])=[O:8].[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:9]	1	880
+[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7]>>[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:11].[C:1]-[C:2](=[O:3])-[O:8]-[C:9]-[C:10]	2	881,882
+[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7]>>[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:8].[C:1]-[C:2]=[O:3]	1	883
+[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7]>>[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:9].[C:1]-[C:2](-[O:3])=[O:8]	1	884
+[C:1]-[C:2]-[O:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]#[N:8].[c:4](:[c:5])(:[c:6])-[O:7].[O:3]	1	885
+[C:1]-[C:2]-[O:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2](-[O:3])=[O:7].[c:4](:[c:5])(:[c:6])-[O:8]	2	886,887
+[C:1]-[C:2]-[O:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9].[c:4](:[c:5])(:[c:6])-[O:10]	1	888
+[C:1]-[C:2]-[O:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[O:10].[C:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9]	1	889
+[C:1]-[C:2]-[O:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:2:[c:9]:1:[c:10]:[c:12](:[c:11]):[n:13]:2-[C:14]-[c:15]>>[C:1]-[C:2]-[Cl:16].[C:14](-[c:15])-[Br:17].[O:3]=[C:4]-1-[C:5]-[C:6]-[C:7]-[c:8]:2:[c:9]-1:[c:10]:[c:12](:[c:11]):[n:13]:2	1	890
+[C:1]-[C:2]-[O:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:2:[c:9]:1:[c:10]:[c:12](:[c:11]):[n:13]:2>>[C:1]-[C:2]-[Cl:14].[O:3]=[C:4]-1-[C:5]-[C:6]-[C:7]-[c:8]:2:[c:9]-1:[c:10]:[c:12](:[c:11]):[n:13]:2	1	891
+[C:1]-[C:2]-[O:3]-[c:4]:[c:5]:[n:6]>>[C:1]-[C:2]-[O:7].[O:3]-[c:4]:[c:5]:[n:6]	1	892
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[Br:5].[O:3](-[c:4])-[C:6]	1	893
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[Br:5].[O:3](-[c:4])-[C:6](=[O:7])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	894
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[Br:5].[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	2	895,896
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[Cl:5].[O:3](-[c:4])-[C:6]	1	897
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[I:5].[O:3](-[c:4])-[C:6]	5	898,899,900,901,902
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[O:5]-[S:6](-[C:7])(=[O:8])=[O:9].[O:3](-[c:4])-[C:10]-[O:11]-[C:12]-[C:13]-[O:14]-[C:15]	1	903
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[O:5].[O:3](-[c:4])-[C:6]	1	904
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[O:5].[O:3]-[c:4]	4	905,906,907,908
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1.[C:1]-[C:2]-[Br:12]	1	909
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6](-[C:7])=[O:8].[C:1]-[C:2]-[Br:5]	1	910
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[C:1]-[C:2]-[Br:5]	1	911
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[C:1]-[C:2]-[O:5]	1	912
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6].[C:1]-[C:2]-[Br:5]	2	913,914
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6].[C:1]-[C:2]-[I:5]	1	915
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3]-[c:4].[C:1]-[C:2]-[O:5]	2	916,917
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2]#[N:4].[O:3]	1	918
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3])-[C:4]-[O:5]	1	919
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:4])=[O:5]	9	920,921,922,923,924,925,926,927,928
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:4]-[C:5])-[O:6]-[C:7]-[C:8]	1	929
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:5])=[O:4]	4	930,931,932,933
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:5]-[C:4])=[O:6]	2	934,935
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[C:5]-[C:6])=[O:4]	8	936,937,938,939,940,941,942,943
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3]-[Si:16]-[C:17](-[C:18])(-[C:19])-[C:20])(-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)-[c:12]:2:[c:5]:[c:4]:[c:15]:[c:14]:[c:13]:2	1	944
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]	1	945
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]	1	946
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2]=[C:4].[O:3]=[Os:5](=[O:6])(=[O:7])=[O:8]	2	947,948
+[C:1]-[C:2]-[O:3]>>[O:3]-[C:4]-[C:5].[C:1]-[C:2]#[N:6]	1	949
+[C:1]-[C:2]-[O:3]>>[O:3].[C:1]-[C:2]#[N:4]	1	950
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[C:2](-[O:7])=[O:8].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9]	2	951,952
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[C:2](=[O:7])-[O:8]-[C:9]-[C:10].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:11]	1	953
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[C:2](=[O:7])-[O:8].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9]	1	954
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[C:2](=[O:7])-[O:9]-[C:10]-[C:11].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8]	1	955
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:10].[C:1]-[C:2](=[O:7])-[O:8]-[C:9]	2	956,957
+[C:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:8].[C:1]-[C:2]=[O:7]	1	958
+[C:1]-[C:2]-[S:3](-[C:4])=[O:5]>>[O:5]-[O:11]-[C:12](=[O:13])-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18](-[Cl:19]):[c:20]:1.[C:1]-[C:2]-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10].[S:3]-[C:4]	1	959
+[C:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[C:2](=[O:6])-[O:7].[c:3](:[c:4]):[c:5]	1	960
+[C:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[C:2]=[O:6].[c:3](:[c:4]):[c:5]	1	961
+[C:1]-[C:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[C:1]=[C:2]-[Sn:7](-[C:8]-[C:9]-[C:10]-[C:11])(-[C:12]-[C:13]-[C:14]-[C:15])-[C:16]-[C:17]-[C:18]-[C:19].[c:3](:[c:4])(:[c:6]:[n:5])-[Br:20]	1	962
+[C:1]-[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1>>[C:1]-[C:2](=[O:8])-[Cl:9].[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1	1	963
+[C:1]-[C:2]-[c:3]>>[C:1]-[C:2](-[c:3])=[O:4]	1	964
+[C:1]-[C:2]-[c:3]>>[C:2](-[c:3])=[O:4].[C:1]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	965
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1>>[C:1]-[C:2]-[Cl:8].[n:3]:1(:[c:4]:[n:5]:[c:6]:[c:7]:1)-[C:9](-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2)(-[c:16]:3:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:3)-[c:22]:4:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:4	1	966
+[C:1]-[C:2]=[C:3](-[C:4]-[O:5]-[c:6](:[c:7]):[c:8])-[C:9]>>[C:1]-[C:2]=[C:3](-[C:4](=[O:5])-[O:10]-[C:11]-[C:12])-[C:9].[c:6](:[c:7])(:[c:8])-[O:13]	1	967
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2]-[C:3](-[C:7])=[O:8].[c:4](:[c:5])(:[c:6])-[Br:9]	3	968,969,970
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2]-[C:3](-[C:7])=[O:8].[c:4](:[c:5]):[c:6]	1	971
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[c:4](:[c:5])(:[c:6])-[Br:9].[C:1]-[C:2]-[C:3](-[C:7])=[O:8]	1	972
+[C:1]-[C:2]=[C:3]-[C:4](-[O:5])-[C:6]>>[C:1]-[C:2]-[O:13].[C:3](-[C:4](=[O:5])-[C:6])-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:7]	2	973,974
+[C:1]-[C:2]=[C:3]-[C:4](-[O:5])-[C:6]>>[C:1]-[C:2]=[O:7].[C:3](-[C:4](=[O:5])-[C:6])-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:13]	3	975,976,977
+[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[C:6]>>[C:1]-[C:2]-[O:13].[C:3](-[C:4](=[O:5])-[C:6])-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:7]	2	978,979
+[C:1]-[C:2]=[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[C:1]-[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	2	980,981
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]-[C:2](-[O:5])=[O:6].[C:3](-[c:4])-[P+:7](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	2	982,983
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]-[C:2]-[C:3](-[c:4])=[O:5]	2	984,985
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]-[C:2]-[O:5].[C:3](-[c:4])-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	2	986,987
+[C:1]-[C:2]=[C:3]>>[C:1]-[C:2]-[O:23].[C:3]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:4]:[c:22]:[c:21]:[c:20]:[c:19]:3	1	988
+[C:1]-[C:2]=[N:3]-[O:4]>>[C:1]-[C:2](-[O:5])=[O:6].[N:3]-[O:4]	1	989
+[C:1]-[C:2]=[N:3]-[O:4]>>[C:1]-[C:2](-[O:5]-[C:6]-[C:7])-[O:8]-[C:9]-[C:10].[N:3]-[O:4]	1	990
+[C:1]-[C:2]=[N:3]-[O:4]>>[C:1]-[C:2]-[O:5].[N:3]-[O:4]	2	991,992
+[C:1]-[C:2]=[N:3]-[c:4]>>[C:1]-[C:2](=[O:5])-[O:6]-[C:7]-[C:8].[N:3]-[c:4]	1	993
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](-[O:3])=[O:4]	3	994,995,996
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](-[O:3]-[C:4])=[O:5]	1	997
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]	3	998,999,1000
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:5]	5	1001,1002,1003,1004,1005
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]	7	1006,1007,1008,1009,1010,1011,1012
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-[O:3]-[C:4]	1	1013
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-[O:3]-[C:4](=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	1	1014
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10]	1	1015
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7](-[C:8])(-[C:9])-[C:10]	1	1016
+[C:1]-[C:2]>>[C:1](-[C:2])-[O:3]	1	1017
+[C:1]-[C:3](-[C:2])(-[O:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[C:3](-[C:2])-[O:4].[c:5](:[c:6])(:[c:7])-[Mg:8]-[Br:9]	1	1018
+[C:1]-[C:3](-[C:2])-[N:4]=[N+:6]=[N-:5]>>[N-:4]=[N+:6]=[N-:5].[C:1]-[C:3](-[C:2])-[O:7]	1	1019
+[C:1]-[C:3](-[C:2])-[N:4]>>[N-:4]=[N+:6]=[N-:5].[C:1]-[C:3](-[C:2])-[O:7]	1	1020
+[C:1]-[C:3](-[C:2])-[N:4]>>[N-:4]=[N+:6]=[N-:5].[C:1]-[C:3](-[C:2])-[O:7]-[S:8](-[c:9]:1:[c:10]:[c:11]:[c:12](-[C:13]):[c:14]:[c:15]:1)(=[O:16])=[O:17]	1	1021
+[C:1]-[C:3](-[c:2])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:3](-[c:2])=[O:7]	1	1022
+[C:1]-[C:3](-[c:2])=[N:4]>>[C:1]-[C:3](-[c:2])=[O:11].[N:4]-[S:9](-[C:6](-[C:5])(-[C:7])-[C:8])=[O:10]	1	1023
+[C:1]-[C:4](-[N:2]-[c:3])=[O:5]>>[C:1]-[C:4](=[O:5])-[O:6].[N+:2](-[c:3])(=[O:7])-[O-:8]	1	1024
+[C:1]-[C:4](-[N:3]-[c:2])=[O:5]>>[c:2]-[N:3].[C:1]-[C:4](=[O:5])-[O:6]	1	1025
+[C:1]-[C:6](-[N:3](-[C:2])-[C:4]-[c:5])=[O:7]>>[C:1]-[C:6](=[O:7])-[O:10]-[C:9]-[C:8].[C:2]-[N:3]-[S:11](-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[C:4](-[c:5])=[O:17]	1	1026
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])-[O:7].[C:1]-[N:2]-[C:6]	1	1027
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])=[O:13].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[C:9](-[F:10])(-[F:11])-[F:12]	1	1028
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])=[O:14].[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1029
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])=[O:14].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	2	1030,1031
+[C:1]-[N:2](-[C:3](-[C:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[C:4])(-[c:5])-[O:7]	1	1032
+[C:1]-[N:2](-[C:3](-[C:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[C:4])(-[c:5])=[O:7]	1	1033
+[C:1]-[N:2](-[C:3](-[C:4])=[O:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:3](-[C:4])(=[O:5])-[Cl:14]	2	1034,1035
+[C:1]-[N:2](-[C:3](-[C:4])=[O:6])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(=[O:6])-[O:7]-[C:8]-[C:9]	1	1036
+[C:1]-[N:2](-[C:3](-[C:4])=[O:6])-[C:5]>>[C:3](-[C:4])(=[O:6])-[O:14].[C:1]-[N:2](-[C:5])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	1037
+[C:1]-[N:2](-[C:3](-[c:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[c:4])(-[c:5])-[O:7]	1	1038
+[C:1]-[N:2](-[C:3](=[N:4])-[N:5]-[O:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](#[N:4])-[Br:8].[N:5]-[O:6]	1	1039
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5](-[F:6])(-[F:7])-[F:8])-[C:9](-[C:10])-[C:11]>>[C:3](=[O:4])(-[C:5](-[F:6])(-[F:7])-[F:8])-[O:13]-[C:14](=[O:15])-[C:16](-[F:17])(-[F:18])-[F:19].[C:9](-[C:10])(-[C:11])=[O:12].[C:1]-[N:2]	1	1040
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6](-[C:7])-[C:8]>>[C:3](=[O:4])(-[C:5])-[O:10].[C:6](-[C:7])(-[C:8])=[O:9].[C:1]-[N:2]	1	1041
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13].[C:3](=[O:4])(-[C:5])-[O:14]	1	1042
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[C:5])-[O:7]	1	1043
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[C:5])-[O:7]-[C:8]	2	1044,1045
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[C:5])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]	3	1046,1047,1048
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[C:5])-[O:7]-[C:8]-[C:9]	2	1049,1050
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[Cl:14].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	1051
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:14].[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	5	1052,1053,1054,1055,1056
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:14].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	1057
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:14].[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	4	1058,1059,1060,1061
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:7]-[C:8]-[C:9].[C:1]-[N:2]-[C:6]	2	1062,1063
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:7]-[C:8].[C:1]-[N:2]-[C:6]	1	1064
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[c:6]>>[C:1]-[I:7].[C:3](=[O:4])(-[C:5])-[Cl:8].[N:2]-[c:6]	1	1065
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[c:6]>>[C:3](=[O:4])(-[C:5])-[Cl:14].[C:1]-[N:2](-[c:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	1066
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[N:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[N:8])-[O:10]-[C:11]-[C:12]	1	1067
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5]-[C:6]-[c:7])-[C:8]>>[C:3](=[O:4])(-[C:5]=[C:6]-[c:7])-[O:9].[C:1]-[N:2]-[C:8]	1	1068
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7])-[C:8]>>[N:5](-[C:6])-[C:7].[C:1]-[N:2]-[C:8].[C:3](=[O:4])(-[O:16]-[c:15]:1:[c:14]:[c:13]:[c:12](-[N+:10](=[O:9])-[O-:11]):[c:18]:[c:17]:1)-[Cl:19]	1	1069
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:3](=[O:4])(-[N:5])-[O:14]-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1	1	1070
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[C:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[N:5]-[C:6].[C:3](=[O:4])(-[n:15]:1:[c:16]:[c:17]:[n:18]:[c:19]:1)-[n:20]:2:[c:21]:[c:22]:[n:23]:[c:24]:2	1	1071
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6](:[c:7]):[n:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3](=[O:4])(-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:1)-[Cl:17].[N:5]-[c:6](:[c:7]):[n:8]	1	1072
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[s:8])-[c:9]>>[N:5]-[c:6](:[n:7]):[s:8].[C:3](=[O:4])(-[O:17]-[c:16]:1:[c:15]:[c:14]:[c:13](-[N+:11](=[O:10])-[O-:12]):[c:19]:[c:18]:1)-[Cl:20].[C:1]-[N:2]-[c:9]	1	1073
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:3](=[O:4])=[N:5]-[c:6]	1	1074
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[C:3](=[O:4])=[N:5]-[c:6]	1	1075
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](=[O:4])(-[O:8]-[C:9](-[Cl:10])(-[Cl:11])-[Cl:12])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17].[N+:5](-[c:6])(=[O:18])-[O-:19]	1	1076
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:3](=[O:4])(-[O:5])-[Cl:14]	1	1077
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:3](=[O:4])(-[O:5])-[Cl:14]	2	1078,1079
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:3](=[O:4])(-[O:5])-[Cl:14].[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1080
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:3](=[O:4])(-[O:5])-[Cl:14].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	1081
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:3](=[O:4])(-[O:5])-[Cl:14].[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	2	1082,1083
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10](-[C:11])-[C:12]>>[C:1]-[N:2].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:14]-[C:15](-[O:16]-[C:17](-[C:18])(-[C:19])-[C:20])=[O:21].[C:10](-[C:11])(-[C:12])=[O:13]	1	1084
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10](-[C:11]-[C:12]=[C:13])-[C:14]>>[C:1]-[N:2].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:16]-[C:17](-[O:18]-[C:19](-[C:20])(-[C:21])-[C:22])=[O:23].[C:10](-[C:11]-[C:12]=[C:13])(-[C:14])=[O:15]	1	1085
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10]>>[C:1]-[I:11].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:2]-[C:10]	2	1086,1087
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10]>>[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:18]-[C:19](-[O:20]-[C:21](-[C:22])(-[C:23])-[C:24])=[O:25].[C:1]-[N:2](-[C:10])-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	1	1088
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6])-[C:7]>>[O:5]-[C:6].[C:1]-[N:2]-[C:7].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:17]:[c:16]:1)-[Cl:18]	1	1089
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]):[n:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[C:9](-[Cl:10])(-[Cl:11])-[Cl:12]	1	1090
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]):[s:7])-[c:8]>>[C:1]-[N:2]-[c:8].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:9]-[C:10]	1	1091
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:10]-[C:11]	1	1092
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8])-[C:9]>>[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:10]-[C:11]-[C:12].[C:1]-[N:2]-[C:9]	1	1093
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[n:6]):[c:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:9]-[C:10]-[C:11]	1	1094
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[n:6]):[c:7])-[C:8]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:9]-[C:10]-[C:11].[C:1]-[N:2]-[C:8]	1	1095
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:3](=[O:4])(-[c:5])-[Cl:14]	1	1096
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:3](=[O:4])(-[c:5])-[O:14]	1	1097
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[c:5])-[O:7]-[C:8]	2	1098,1099
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[c:5])-[O:7]-[C:8]-[C:9]	3	1100,1101,1102
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:3](=[O:4])(-[c:5])-[O:14].[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1103
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:3](=[O:4])(-[c:5])-[O:17].[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	1	1104
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1)-[C:10]>>[C:1]-[N:2]-[C:10].[C:3](=[O:4])(-[C:12](-[Cl:11])(-[Cl:13])-[Cl:14])-[Cl:15].[c:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1	1	1105
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5]:1:[n:6]:[o:7]:[c:8](-[C:9]):[n:10]:1)-[C:11]>>[C:1]-[N:2]-[C:11].[C:3](=[O:4])(-[C:5](=[N:6]-[O:7]-[C:8](-[C:9])=[O:15])-[N:10])-[O:12]-[C:14]-[C:13]	1	1106
+[C:1]-[N:2](-[C:3])-[C:4](-[C:5])-[C:6]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(-[C:6])-[O:7]	1	1107
+[C:1]-[N:2](-[C:3])-[C:4](-[C:5])=[O:6]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(=[O:6])-[O:7]-[C:8]	1	1108
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]=[C:7]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6]=[C:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1109
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6])-[O:7]-[C:8]-[C:9]	5	1110,1111,1112,1113,1114
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:4](=[O:5])(-[C:6])-[Cl:14].[C:1]-[N:2](-[C:3])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	1115
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:4](=[O:5])(-[C:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11].[C:1]-[N:2]-[C:3]	1	1116
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[C:1]-[N:2]-[C:3].[N:6](-[C:7])-[C:8].[C:4](=[O:5])(-[O:16]-[c:15]:1:[c:14]:[c:13]:[c:12](-[N+:10](=[O:9])-[O-:11]):[c:18]:[c:17]:1)-[Cl:19]	1	1117
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[N:6](-[c:7](:[n:8]):[c:9])-[C:11](=[O:10])-[O:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)-[O:19]-[c:20]:2:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:2	1	1118
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[s:9]>>[N:6]-[c:7](:[n:8]):[s:9].[C:4](=[O:5])(-[Cl:10])-[Cl:11].[C:1]-[N:2]-[C:3]	1	1119
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]-[c:7]:1:[n:8]:[n:9]:[c:10](-[C:11]):[s:12]:1>>[C:10](-[C:11])(=[O:15])-[O:16].[C:4](=[O:5])(-[Cl:13])-[Cl:14].[N:6]-[C:7](-[N:8]-[N:9])=[S:12].[C:1]-[N:2]-[C:3]	1	1120
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[C:1](-[O:21]-[C:20]-[C:19])(=[O:22])-[Cl:23].[N:2]-[C:3]	1	1121
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:15]-[C:16](-[O:17]-[C:18](-[C:19])(-[C:20])-[C:21])=[O:22].[C:1](-[N:2]-[C:3])(-[O:11]-[C:12]-[C:13])=[O:14]	1	1122
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[N:2]-[C:3].[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[C:1]-[I:11]	1	1123
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]):[n:8]>>[C:4](-[O:5]-[C:9]-[C:10])(-[c:6](:[c:7]):[n:8])-[O:11]-[C:12]-[C:13].[C:1]-[N:2]-[C:3]	1	1124
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]):[n:8]>>[C:4](=[O:5])-[c:6](:[c:7]):[n:8].[C:1]-[N:2]-[C:3]	1	1125
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]:[s:8]):[n:9]>>[C:4](=[O:5])(-[c:6](:[c:7]:[s:8]):[n:9])-[O:10]-[C:11]-[C:12].[C:1]-[N:2]-[C:3]	1	1126
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[n:7]):[c:8]>>[C:4](=[O:5])(-[c:6](:[n:7]):[c:8])-[O:9]-[C:10].[C:1]-[N:2]-[C:3]	1	1127
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[n:7]):[c:9]:[n:8]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6](:[n:7]):[c:9]:[n:8])-[O:10]-[C:11]	1	1128
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6])-[O:7]-[C:8]	1	1129
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]>>[C:1]-[N:2].[C:3]-[I:8].[C:4](=[O:5])(-[c:6])-[O:7]	1	1130
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[N:7](-[C:8])-[c:9]>>[C:4](-[C:5](=[O:6])-[Cl:11])-[Cl:10].[C:1]-[N:2]-[C:3].[N:7](-[C:8])-[c:9]	1	1131
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[C:4](-[C:5](=[O:6])-[Cl:10])-[Cl:9].[C:1]-[N:2]-[C:3].[N+:7](-[c:8])(=[O:11])-[O-:12]	1	1132
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[C:4](-[C:5](=[O:6])-[Cl:10])-[Cl:9].[C:1]-[N:2]-[C:3].[N:7]-[c:8]	1	1133
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[N:7]-[c:8].[C:4](-[C:5](=[O:6])-[Cl:10])-[Cl:9].[C:1]-[N:2]-[C:3]	1	1134
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(=[O:6])-[O:7]-[C:8]	1	1135
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(=[O:6])-[O:7]-[C:8]-[C:9]	1	1136
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])-[O:6]	7	1137,1138,1139,1140,1141,1142,1143
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:4](-[C:5])(=[O:6])-[O:7].[C:1]-[N:2]-[C:3]	2	1144,1145
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:4](-[C:5])-[O:6].[C:1]-[N:2]-[C:3]	1	1146
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[c:6]):[n:7]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[c:6]):[n:7])(=[O:8])-[O:9]	1	1147
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2]-[C:3].[C:4]-[c:5](:[n:6]):[c:7]	1	1148
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[n:6]):[n:7]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[n:6]):[n:7])-[O:8]	1	1149
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]:[c:7]:[n:6]>>[C:1]-[N:2](-[C:3])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:4](-[c:5]:[c:7]:[n:6])=[O:15]	1	1150
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5])(=[O:6])-[O:7]	1	1151
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5])-[O:6]	2	1152,1153
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]-[I:5].[N:2](-[C:3])(-[C:4])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	2	1154,1155
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]-[O:5].[N:2](-[C:3])(-[C:4])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	1156
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]=[O:5].[N:2](-[C:3])(-[C:4])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	3	1157,1158,1159
+[C:1]-[N:2](-[C:3])-[C:5](-[O:4])=[O:6]>>[O:4]-[C:5](=[O:6])-[Cl:14].[C:1]-[N:2](-[C:3])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	1160
+[C:1]-[N:2](-[C:3])-[C:5]-[C:4]>>[C:4]-[C:5](=[O:6])-[O:7].[C:1]-[N:2]-[C:3]	1	1161
+[C:1]-[N:2](-[C:3])-[C:6](=[N:5]-[c:4])-[N:7]>>[C:6](#[N:7])-[Br:10].[C:1]-[N:2]-[C:3].[c:4]-[N+:5](=[O:8])-[O-:9]	1	1162
+[C:1]-[N:2](-[C:3])-[C:7](-[c:6](:[n:4]):[c:5])=[O:8]>>[C:1]-[N:2]-[C:3].[n:4]:[c:6](:[c:5])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	1163
+[C:1]-[N:2](-[C:3])-[S:4](=[O:5])(=[O:6])-[c:7]>>[C:1]-[N:2].[C:3]-[I:9].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:8]	1	1164
+[C:1]-[N:2](-[C:3])-[c:4]:1:[c:5]:[c:6]:[n:7]:[n:8]:1>>[C:1]-[N:2]-[C:3].[c:4]:1:[c:5]:[c:6]:[n:7]:[n:8]:1	1	1165
+[C:1]-[N:2](-[C:3]-[C:4](=[C:5](-[Cl:6])-[C:7])-[N:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3]-[C:4](=[C:5](-[Cl:6])-[C:7])-[N:8]	1	1166
+[C:1]-[N:2](-[C:3]-[C:4](=[O:5])-[N:6]-[c:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[C:4](=[O:5])-[Cl:10])-[Cl:9].[N:6]-[c:7]	1	1167
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])=[O:9].[C:1]-[N:2].[C:3](-[C:4])-[Br:8]	1	1168
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[C:4])-[Br:13]	2	1169,1170
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[C:4])=[O:13]	2	1171,1172
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8]-[C:9])=[O:10].[C:3](-[C:4])-[Cl:11]	1	1173
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(-[O:6])-[C:7]-[O:8]	1	1174
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(-[O:6]-[C:7])-[O:8]-[C:9]	2	1175,1176
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(-[O:6]-[C:7]-[C:8])-[O:9]-[C:10]-[C:11]	1	1177
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(=[O:6])-[O:7]	5	1178,1179,1180,1181,1182
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])-[Cl:6]	1	1183
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])-[O:6]	15	1184,1185,1186,1187,1188,1189,1190,1191,1192,1193,1194,1195,1196,1197,1198
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])=[C:6]	2	1199,1200
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])(-[O:6]-[C:7]-[C:8])-[O:9]-[C:10]-[C:11].[C:1]-[N:2]-[C:5]	1	1201
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:13].[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	4	1202,1203,1204,1205
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:13].[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]	1	1206
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:16].[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1207
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:9].[C:1]-[N:2](-[C:5])-[C:6]-[C:7]=[C:8]	1	1208
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Cl:13].[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	4	1209,1210,1211,1212
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[I:13].[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	1213
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[I:16].[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1214
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[O:6]-[Si:7](-[C:8](-[C:9])(-[C:10])-[C:11])(-[C:12])-[C:13].[C:1]-[N:2]-[C:5]	1	1215
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[O:6].[C:1]-[N:2]-[C:5]	4	1216,1217,1218,1219
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])=[O:13].[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]	1	1220
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])=[O:16].[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1221
+[C:1]-[N:2](-[C:3]-[C:4])-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:1]-[N:2].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:9].[C:3](-[C:4])-[Br:10]	1	1222
+[C:1]-[N:2](-[C:3]-[C:4])-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:3](-[C:4])-[Br:10].[C:1]-[N:2].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:9]	1	1223
+[C:1]-[N:2](-[C:3]-[C:4])-[c:5]>>[C:1]-[I:7].[N:2](-[C:3](-[C:4])=[O:6])-[c:5]	1	1224
+[C:1]-[N:2](-[C:3]-[C:4])-[c:5]>>[C:1]=[O:6].[N:2](-[C:3](-[C:4])=[O:7])-[c:5]	1	1225
+[C:1]-[N:2](-[C:3]-[C:4]-[N:5])-[c:6]>>[C:1]-[N:2]-[c:6].[C:3](-[C:4](-[N:5])=[O:7])-[I:8]	1	1226
+[C:1]-[N:2](-[C:3]-[C:4]-[O:5])-[C:6]>>[C:3]-1-[C:4]-[O:5]-1.[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1227
+[C:1]-[N:2](-[C:3]-[C:4]=[C:5])-[C:6]>>[C:1]=[O:7].[N:2](-[C:3]-[C:4]=[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	1228
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]):[n:6])-[C:7](=[O:8])-[C:9]=[C:10]>>[C:1]-[N:2]-[C:3](-[c:4](:[c:5]):[n:6])=[O:11].[C:7](=[O:8])(-[C:9]=[C:10])-[O:12]	1	1229
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]):[n:6])-[C:7](=[O:8])-[C:9]=[C:10]>>[C:7](=[O:8])(-[C:9]=[C:10])-[O:12].[C:1]-[N:2]-[C:3](-[c:4](:[c:5]):[n:6])=[O:11]	1	1230
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]):[s:6])-[C:7]-[C:8]>>[C:1]-[N:2].[C:7](-[C:8])-[Cl:9].[C:3](-[c:4](:[c:5]):[s:6])-[Cl:10]	1	1231
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]):[s:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:3](-[c:4](:[c:5]):[s:6])=[O:15]	1	1232
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]:[n:6]):[n:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[c:4](:[c:5]:[n:6]):[n:7])-[O:9]	1	1233
+[C:1]-[N:2](-[C:3]-[c:4](:[n:5]):[c:6])-[C:7](=[O:8])-[C:9]>>[C:1]-[N:2].[C:7](=[O:8])(-[C:9])-[O:11].[C:3](-[c:4](:[n:5]):[c:6])=[O:10]	1	1234
+[C:1]-[N:2](-[C:3]-[c:4](:[n:5]):[c:6])-[C:7]>>[C:3]-[c:4](:[n:5]):[c:6].[C:1]-[N:2]-[C:7]	1	1235
+[C:1]-[N:2](-[C:3]-[c:4](:[n:5]):[n:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:3](-[c:4](:[n:5]):[n:6])=[O:15]	1	1236
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[C:7]>>[C:1]-[N:2]-[C:5](=[O:6])-[C:7].[C:3]-[c:4]	1	1237
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[C:7]>>[C:3](-[c:4])=[O:8].[C:1]-[N:2].[C:5](=[O:6])(-[C:7])-[O:9]	1	1238
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:3](-[c:4])-[Br:12].[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[N:2]	1	1239
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:3](-[c:4])=[O:12].[C:1]-[N:2].[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20]	1	1240
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[N:2].[C:3](-[c:4])=[O:12]	2	1241,1242
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]>>[C:1]-[N:2].[C:3](-[c:4])=[O:8].[C:5](=[O:6])(-[O:7])-[Cl:9]	1	1243
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[c:7]>>[C:1]-[N:2].[C:3](-[c:4])=[O:8].[C:5](=[O:6])(-[c:7])-[O:9]	1	1244
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]-[C:6]-[O:7]>>[C:1]-[N:2].[C:5]-1-[C:6]-[O:7]-1.[C:3](-[c:4])=[O:8]	1	1245
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[c:4])-[Br:13]	3	1246,1247,1248
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[c:4])-[Cl:13]	1	1249
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[c:4])=[O:13]	5	1250,1251,1252,1253,1254
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[C:3](-[c:4])-[Cl:16]	1	1255
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[C:3](-[c:4])=[O:16]	1	1256
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2](-[C:5])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[C:3](-[c:4])=[O:13]	2	1257,1258
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])(-[O:6])=[O:7]	1	1259
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])(-[O:6]-[C:7])-[O:8]-[C:9]	1	1260
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])-[O:6]	2	1261,1262
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])=[O:6]	1	1263
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3]-[c:4]	2	1264,1265
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:3](-[c:4])=[O:13].[C:1]-[N:2](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	1266
+[C:1]-[N:2](-[C:3]-[c:4])-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:1]-[N:2].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:9].[C:3](-[c:4])-[Br:10]	1	1267
+[C:1]-[N:2](-[C:3]-[c:4])-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:3](-[c:4])=[O:9].[C:1]-[N:2].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:10]	2	1268,1269
+[C:1]-[N:2](-[C:3]-[c:4])-[c:5]>>[C:1]-[N:2]-[c:5].[C:3](-[c:4])-[O:6]	1	1270
+[C:1]-[N:2](-[C:3]-[c:4]:1:[c:5]:[c:6](:[c:7](:[s:8]:1):[c:9]):[n:10])-[C:11]>>[c:4]:1:[c:5]:[c:6](:[c:7](:[s:8]:1):[c:9]):[n:10].[C:1]-[N:2]-[C:11].[C:3](=[O:12])-[N:13](-[C:14])-[C:15]	2	1271,1272
+[C:1]-[N:2](-[C:3]-[c:4]:1:[c:5]:[c:6](:[c:7](:[s:8]:1):[c:9]):[n:10])-[C:11]>>[c:4]:1:[c:5]:[c:6](:[c:7](:[s:8]:1):[c:9]):[n:10].[C:3](=[O:12])-[N:13](-[C:14])-[C:15].[C:1]-[N:2]-[C:11]	1	1273
+[C:1]-[N:2](-[C:3]-[c:4]:[c:5]:[n:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[C:7](=[O:8])(-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])-[O:15]-[C:16](-[O:17]-[C:18](-[C:19])(-[C:20])-[C:21])=[O:22].[C:1]-[N:2].[C:3](-[c:4]:[c:5]:[n:6])=[O:14]	2	1274,1275
+[C:1]-[N:2](-[C:3]-[c:4]:[c:5]:[n:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[C:3](-[c:4]:[c:5]:[n:6])=[O:15]	1	1276
+[C:1]-[N:2](-[C:3]-[c:4]:[c:5]:[n:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3]-[c:4]:[c:5]:[n:6]	1	1277
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[C:1]-[N:2].[C:7](=[O:8])(-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])-[O:15]-[C:16](-[O:17]-[C:18](-[C:19])(-[C:20])-[C:21])=[O:22].[C:3](-[c:4]:[c:6]:[n:5])=[O:14]	1	1278
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](-[c:4]:[c:6]:[n:5])-[O:8]-[C:9]	1	1279
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3]-[c:4]:[c:6]:[n:5]	1	1280
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7]>>[C:3](-[c:4]:[c:6]:[n:5])=[O:15].[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	1281
+[C:1]-[N:2](-[N:3])-[C:8](-[N:4]-[c:5](:[n:6]):[s:7])=[O:9]>>[C:1]-[N:2]-[N:3].[C:8](=[O:9])(-[Cl:10])-[Cl:11].[N:4]-[c:5](:[n:6]):[s:7]	1	1282
+[C:1]-[N:2](-[O:3])-[C:4](=[O:5])-[c:6](:[n:7]):[c:8]>>[C:1]-[N:2]-[O:3].[C:4](=[O:5])(-[c:6](:[n:7]):[c:8])-[O:9]-[C:10]-[C:11]	1	1283
+[C:1]-[N:2](-[S:3](-[C:4])(=[O:5])=[O:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:15]	1	1284
+[C:1]-[N:2](-[S:3](-[C:4])(=[O:5])=[O:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:15]	2	1285,1286
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[C:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[S:3](=[O:4])(=[O:5])(-[C:6])-[Cl:15]	1	1287
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6](:[n:7]):[c:8])-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](=[O:11])-[O:12]-[C:13]-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1.[S:3](=[O:4])(=[O:5])(-[c:6](:[n:7]):[c:8])-[Cl:20]	2	1288,1289
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:15]	1	1290
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:15]	1	1291
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9]:[s:10]:1)-[C:11]>>[C:1]-[N:2]-[C:11].[S:3](=[O:4])(-[O:5])(-[Cl:12])=[O:13].[c:6]:1:[c:7]:[c:8]:[c:9]:[s:10]:1	1	1292
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6]:[c:8]:[n:7])-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[S:3](=[O:4])(=[O:5])(-[c:6]:[c:8]:[n:7])-[Cl:17]	1	1293
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:3](:[c:4])(:[c:5])-[F:14]	1	1294
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:3](:[c:4])(:[c:5])-[O:14]-[S:15](=[O:16])(=[O:17])-[C:18](-[F:19])(-[F:20])-[F:21]	1	1295
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1.[c:3](:[c:4])(:[c:5])-[Br:17]	1	1296
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[c:3](:[c:4])(:[c:5])-[F:14].[C:1]-[N:2](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1297
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[c:3](:[c:4])(:[c:5])-[F:14].[C:1]-[N:2](-[C:6])-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	2	1298,1299
+[C:1]-[N:2](-[c:3](:[c:4]):[n:6]:[n:5])-[C:7]>>[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:15].[C:1]-[N:2](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	2	1300,1301
+[C:1]-[N:2](-[c:3](:[c:4]):[n:7]:[c:6]:[c:5])-[C:8]>>[C:1]-[N:2](-[C:8])-[C:9](=[O:10])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1.[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:19]	1	1302
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5](:[c:6]):[c:7]):[c:8])-[C:9]>>[C:1]-[N:2]-[C:9].[c:3](:[n:4]:[c:5](:[c:6]):[c:7])(:[c:8])-[O:10]	1	1303
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5]):[n:7]:[c:6])-[C:8]>>[C:1]-[N:2](-[C:8])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:16]	1	1304
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])-[C:8]>>[C:1]-[N:2](-[C:8])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:16]	1	1305
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])-[C:8]>>[C:1]-[N:2]-[C:8].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[O:9]	2	1306,1307
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])-[C:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:19].[C:1]-[N:2](-[C:8])-[C:9](=[O:10])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1	1	1308
+[C:1]-[N:2](-[c:3])-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[I:8].[N:2]-[c:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:9]	1	1309
+[C:1]-[N:2](-[c:3])-[S:4](-[C:5])(=[O:6])=[O:7]>>[N:2]-[c:3].[C:1]-[I:8].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:9]	1	1310
+[C:1]-[N:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2]-[C:9].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:10]	1	1311
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[c:8]:[n:9]:1)-[C:10]>>[C:1]-[N:2]-[C:10].[c:3]:1(:[n:4]:[c:5](:[c:6]):[c:7]:[c:8]:[n:9]:1)-[O:11]	1	1312
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:17]	1	1313
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](=[O:11])-[O:12]-[C:13]-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1.[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:20]	1	1314
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:17]	1	1315
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2](-[C:9])-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1.[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:17]	1	1316
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:17].[C:1]-[N:2](-[C:9])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16]	1	1317
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[c:9]>>[C:1]-[I:10].[N:2]-[c:9].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	1	1318
+[C:1]-[N:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[s:7]:1)-[C:8]>>[c:3]:1(:[n:4]:[n:5]:[c:6]:[s:7]:1)-[Br:16].[C:1]-[N:2](-[C:8])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15]	1	1319
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5](-[c:6])-[C:7](=[O:8])-[C:9]=[C:10]-1-[C:11]>>[C:1]-[I:12].[N:2]-[C:10](=[C:9]-[C:7](=[O:8])-[O:13]-[C:14]-[C:15])-[C:11].[C:3](=[O:4])(-[N:5]-[c:6])-[O:16]-[C:17]-[C:18]	1	1320
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[c:6]:[c:7]-1>>[C:1]-[N:2]-[c:7]:[c:6]-[N+:5](=[O:8])-[O-:9].[C:3](=[O:4])(-[O:10]-[C:11](-[Cl:12])(-[Cl:13])-[Cl:14])-[O:15]-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19]	1	1321
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[c:6]:[c:7]-1>>[C:1]-[N:2]-[c:7]:[c:6]-[N+:5](=[O:8])-[O-:9].[C:3](=[O:4])(-[n:10]:1:[c:11]:[c:12]:[n:13]:[c:14]:1)-[n:15]:2:[c:16]:[c:17]:[n:18]:[c:19]:2	3	1322,1323,1324
+[C:1]-[N:2]-1-[C:3]-[C:4]-[N:5]-[C:6]-[c:7](:[c:8]-1):[c:9]>>[C:6]=[O:10].[C:1]-[N:2]-[c:8]:[c:7]:[c:9].[C:3](-[C:4](-[N:5])=[O:11])-[I:12]	1	1325
+[C:1]-[N:2]-1-[C:3]-[c:4](:[c:5]-[C:8]-1=[O:9]):[c:7]:[n:6]>>[C:3]-[c:4](:[c:5]-[C:8](=[O:9])-[O:12]-[C:11]-[C:10]):[c:7]:[n:6].[C:1]-[N:2]	2	1326,1327
+[C:1]-[N:2]-1-[C:3]-[c:4](:[n:5]):[c:6]-[C:7]-1=[O:8]>>[C:1]-[N:2].[C:3]-[c:4](:[n:5]):[c:6]-[C:7](=[O:8])-[O:10]-[C:9]	1	1328
+[C:1]-[N:2]-1-[C:3]-[c:4]:[c:5]-[C:6]-1=[O:7]>>[C:1]-[N:2].[C:3]-[c:4]:[c:5]-[C:6](=[O:7])-[O:9]-[C:8]	1	1329
+[C:1]-[N:2]-1-[C:3]-[c:4]:[c:5]-[C:6]-1=[O:7]>>[C:3]-[c:4]:[c:5]-[C:6](=[O:7])-[O:9]-[C:8].[C:1]-[N:2]	4	1330,1331,1332,1333
+[C:1]-[N:2]-1-[N:3]-[C:4]-[N:5](-[c:6](:[n:7]):[s:8])-[C:9]-1=[O:10]>>[C:4]=[O:11].[C:1]-[N:2]-[N:3].[N:5](-[c:6](:[n:7]):[s:8])=[C:9]=[O:10]	1	1334
+[C:1]-[N:2]-1-[N:3]-[C:4]-[N:5](-[c:6](:[n:7]):[s:8])-[C:9]-1=[O:10]>>[C:4]=[O:13].[C:1]-[N:2]-[N:3].[C:9](=[O:10])(-[Cl:11])-[Cl:12].[N:5]-[c:6](:[n:7]):[s:8]	1	1335
+[C:1]-[N:2]-1-[N:3]-[C:4]-[N:5](-[c:6](:[n:7]):[s:8])-[C:9]-1=[O:10]>>[N:5](-[c:6](:[n:7]):[s:8])=[C:9]=[O:10].[C:4]=[O:11].[C:1]-[N:2]-[N:3]	1	1336
+[C:1]-[N:2]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]>>[C:5]-[C:6](-[C:7])(-[C:8])-[O:9]-[C:10](=[O:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[C:1]-[N:2]-[C:3](-[C:4])=[O:12]	1	1337
+[C:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:13].[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	1338
+[C:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:13].[C:1]-[N:2]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]	2	1339,1340
+[C:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3]-1(-[C:4])(-[C:5])-[O:6]-[C:7]-[C:8]-[O:9]-1.[C:1]-[N:2]	1	1341
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N+:2](=[O:6])-[O-:7].[C:3](-[C:4])(=[O:5])-[O:8]	1	1342
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N:2]-1-[C:6](-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14])=[O:15].[C:3](-[C:4])(=[O:5])-[Cl:16]	1	1343
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](-[C:4])(=[O:5])-[Cl:13]	1	1344
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N:2].[C:3](-[C:4])(=[O:5])-[O:6]-[C:7]-[C:8]	1	1345
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[N:2].[O:5].[C:3](-[C:4])#[N:6]	1	1346
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[Cl:8].[C:1]-[N:2]=[N+:6]=[N-:7]	1	1347
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[O:16]-[C:17](-[C:18])=[O:19].[C:1]-[N:2]-1-[C:6](-[c:7]:2:[c:8](-[C:9]-1=[O:10]):[c:11]:[c:12]:[c:13]:[c:14]:2)=[O:15]	1	1348
+[C:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[O:6]-[C:7]-[C:8]-[C:9]-[C:10].[C:1]-[N:2]	1	1349
+[C:1]-[N:2]-[C:3](-[N:4](-[C:5])-[C:6])=[S:8]>>[C:1]-[N:2]=[C:3]=[S:8].[N:4](-[C:5])(-[C:6])-[C:7](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	1350
+[C:1]-[N:2]-[C:3](-[c:4])=[O:5]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]-[C:7]	1	1351
+[C:1]-[N:2]-[C:3](-[c:4])=[O:5]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	1352
+[C:1]-[N:2]-[C:3](=[C:4]-[N+:5])-[N:6]-[C:7]>>[N:6]-[C:7].[C:3](=[C:4]-[N+:5])(-[S:9]-[C:8])-[S:10]-[C:11].[C:1]-[N:2]	1	1353
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5](-[F:6])(-[F:7])-[F:8]>>[C:3](=[O:4])(-[C:5](-[F:6])(-[F:7])-[F:8])-[O:11]-[C:12](=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[C:1]-[N+:2](=[O:9])-[O-:10]	1	1354
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6](-[C:7](=[O:8])-[N:9]-[c:10])-[C:11])-[C:12]>>[N:9]-[c:10].[C:3]-1(=[O:4])-[C:5](=[C:6](-[C:7](=[O:8])-[O:13]-1)-[C:11])-[C:12].[C:1]-[N:2]	1	1355
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]-1=[C:6](-[O:7])-[c:8](:[n:9]):[c:10]-[N:11]-[C:12]-1=[O:13]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5]-[C:12](-[N:11]-[c:10]:[c:8](-[C:6](=[O:7])-[O:17]-[C:18]-[C:19]):[n:9])=[O:13])-[O:16]-[C:15]-[C:14]	1	1356
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]-[N:6](-[C:7])-[C:8]>>[C:3](=[O:4])(-[C:5]-[Cl:9])-[Cl:10].[N:6](-[C:7])-[C:8].[C:1]-[N:2]	1	1357
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[C:3](=[O:4])(-[C:5]=[C:6])-[O:7]-[C:8].[C:1]-[N:2]	1	1358
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2]-1-[C:6](-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14])=[O:15].[C:3](=[O:4])(-[C:5])-[Cl:16]	1	1359
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](=[O:4])(-[C:5])-[O:13]	3	1360,1361,1362
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]	1	1363
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]	3	1364,1365,1366
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]	2	1367,1368
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8]	7	1369,1370,1371,1372,1373,1374,1375
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:13].[C:1]-[N:2]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]	1	1376
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:8].[C:1]-[N:2]=[N+:6]=[N-:7]	1	1377
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:13].[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	1378
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:16].[C:1]-[N:2]-1-[C:6](-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14])=[O:15]	1	1379
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:16].[C:1]-[N:2]-1-[C:6](=[O:7])-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2-[C:14]-1=[O:15]	1	1380
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[C:1]-[N:2]	2	1381,1382
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8]-[C:9]-[C:10].[C:1]-[N:2]	1	1383
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8].[C:1]-[N:2]	2	1384,1385
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:1]-[N:2]	1	1386
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7].[C:1]-[N:2]	4	1387,1388,1389,1390
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6].[C:1]-[N:2]	2	1391,1392
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:8].[C:1]-[N:2]=[N+:6]=[N-:7]	2	1393,1394
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5](-[C:6])(-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	1395
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5](-[C:6])(-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	1396
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-1(-[C:6])-[C:7](-[c:8]:2:[c:9](-[C:10]-1=[O:11]):[c:12]:[c:13]:[c:14]:[c:15]:2)=[O:16].[C:1]-[N:2]=[C:3]=[O:4]	1	1397
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[s:8]>>[N:5]-[c:6](:[n:7]):[s:8].[C:1]-[N:2].[C:3](=[O:4])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	1398
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]:[c:7]:[n:8]>>[C:1]-[N:2].[N:5]-[c:6]:[c:7]:[n:8].[C:3](=[O:4])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	1399
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]-[N:2].[C:3](=[O:4])(-[O:7]-[C:8](-[Cl:9])(-[Cl:10])-[Cl:11])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16].[N+:5](-[c:6])(=[O:17])-[O-:18]	1	1400
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]-[N:2]=[C:3]=[O:4].[N+:5](-[c:6])(=[O:7])-[O-:8]	4	1401,1402,1403,1404
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]-[N:2]=[N+:7]=[N-:8].[C:3](=[O:4])=[N:5]-[c:6]	1	1405
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[C:1]-[N:2]-[S:10](-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:16]-[C:17](-[O:18]-[C:19](-[C:20])(-[C:21])-[C:22])=[O:23]	1	1406
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[C:1]-[N:2]=[N+:10]=[N-:11]	2	1407,1408
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]>>[C:1]-[N:2]=[N+:6]=[N-:7].[C:3](=[O:4])(-[O:5])-[Cl:8]	2	1409,1410
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:8]-[C:9]-[C:10]	1	1411
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:15].[C:1]-[N:2]-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	1412
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:8]-[C:9]-[C:10].[C:1]-[N:2]	1	1413
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:8]-[C:9]-[C:10].[C:1]-[N:2]	1	1414
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[c:9]:[n:8]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[c:9]:[n:8])-[O:10]-[C:11]-[C:12]	1	1415
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:9]-[C:10]-[C:11]	1	1416
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[s:8]>>[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[s:8])-[O:9]-[C:10]-[C:11].[C:1]-[N:2]	1	1417
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2]-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:15]	2	1418,1419
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:8]-[C:9]-[C:10]	1	1420
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:8]-[C:9]-[C:10].[C:1]-[N:2]	1	1421
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6](:[n:7]):[n:8]:[n:9]:[c:10]:1>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:1:[c:6](:[n:7]):[n:8]:[n:9]:[c:10]:1)-[O:11]-[C:12]-[C:13]	1	1422
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1>>[C:3](=[O:4])(-[C:13](-[F:10])(-[F:11])-[F:12])-[O:14]-[C:15](-[C:16](-[F:17])(-[F:18])-[F:19])=[O:20].[C:1]-[N:2].[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1	1	1423
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[O:10]	1	1424
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[O:10]-[C:11]-[C:12]	1	1425
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]-[N:7]-[C:8](=[O:9])-[c:10](:[c:11]):[n:12]>>[C:8](-[c:10](:[c:11]):[n:12])(=[O:13])-[O:14].[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:[c:6]-[N:7])-[O:9]	1	1426
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9]	2	1427,1428
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9]-[C:10]	1	1429
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[C:8](-[F:9])(-[F:10])-[F:11].[C:1]-[N:2]	1	1430
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9]-[C:10].[C:1]-[N:2]	5	1431,1432,1433,1434,1435
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9].[C:1]-[N:2]	3	1436,1437,1438
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[o:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:[c:6]:[o:7])-[O:8]-[C:9]	2	1439,1440
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:7]:[n:6]>>[C:3](=[O:4])(-[c:5]:[c:7]:[n:6])-[O:8]-[C:9].[C:1]-[N:2]	1	1441
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[c:5])-[O:8]	1	1442
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](=[O:4])(-[c:5])-[Cl:13]	1	1443
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]	6	1444,1445,1446,1447,1448,1449
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7]	8	1450,1451,1452,1453,1454,1455,1456,1457
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]	1	1458
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7]-[C:8]	3	1459,1460,1461
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[O:4].[C:3](-[c:5])#[N:6]	2	1462,1463
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2]=[N+:6]=[N-:7].[C:3](=[O:4])(-[c:5])-[Cl:8]	3	1464,1465,1466
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[Cl:13].[C:1]-[N:2]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	1467
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:16].[C:1]-[N:2]-1-[C:6](=[O:7])-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2-[C:14]-1=[O:15]	1	1468
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6]-[C:7].[C:1]-[N:2]	7	1469,1470,1471,1472,1473,1474,1475
+[C:1]-[N:2]-[C:3](=[O:4])-[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[c:9]>>[C:1]-[N:2].[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[c:9].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11]:[c:17]:[c:16]:1)-[Cl:18]	2	1476,1477
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[N:2]=[C:3]=[S:4].[N:5](-[C:6])(-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	1478
+[C:1]-[N:2]-[C:3]-1=[C:4](-[N:5])-[C:6](=[O:7])-[C:8]-1=[O:9]>>[C:1]-[N:2]=[N+:10]=[N-:11].[C:3]-1(=[C:4](-[N:5])-[C:6](=[O:7])-[C:8]-1=[O:9])-[O:12]-[C:13]-[C:14]	1	1479
+[C:1]-[N:2]-[C:3]-[C:4](-[C:5])-[C:6]>>[C:1]-[N:2].[C:3](=[C:4](-[C:5])-[C:6])-[O:7]-[C:8]	1	1480
+[C:1]-[N:2]-[C:3]-[C:4](-[O:5])-[c:6]>>[C:1]-[N:2].[C:3](-[C:4](=[O:5])-[c:6])-[Cl:7]	1	1481
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])(-[O:5])=[O:6]	1	1482
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])(=[O:5])-[O:6]	2	1483,1484
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])(=[O:5])-[O:6]-[C:7]-[C:8]	2	1485,1486
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])-[O:5]	8	1487,1488,1489,1490,1491,1492,1493,1494
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2].[C:3](-[C:4])-[O:5]-[Si:6](-[C:7](-[C:8])(-[C:9])-[C:10])(-[C:11])-[C:12]	1	1495
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:1]-[N:2]=[N+:5]=[N-:6].[C:3](-[C:4])=[O:7]	1	1496
+[C:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[C:1]-[N:2]	2	1497,1498
+[C:1]-[N:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:1]-[N:2]-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[C:3](-[c:4](:[n:5]):[c:6])=[O:14]	1	1499
+[C:1]-[N:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:1]-[N:2].[C:3](-[c:4](:[n:5]):[c:6])-[O:7]	2	1500,1501
+[C:1]-[N:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])(=[O:7])-[O:8]-[C:9].[C:1]-[N:2]	1	1502
+[C:1]-[N:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:1]-[N:2].[C:3](-[c:4]:[c:5]:[n:6])(=[O:7])-[O:8]-[C:9]	1	1503
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2]-[C:5](-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])=[O:11].[C:3](-[c:4])=[O:12]	2	1504,1505
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(-[O:5]-[C:6])-[O:7]-[C:8]	1	1506
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[Cl:6]	1	1507
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]	1	1508
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]-[C:7]	1	1509
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])(=[O:5])-[O:6]-[C:7]-[C:8]	1	1510
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])-[O:5]	2	1511,1512
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3]-[c:4]	1	1513
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:3]-[c:4].[C:1]-[N:2]	1	1514
+[C:1]-[N:2]-[C:3]=[O:4]>>[C:3](=[O:4])-[O:7].[C:1]-[N+:2](=[O:5])-[O-:6]	1	1515
+[C:1]-[N:2]-[C:3]>>[C:1](-[O:6]-[C:5]-[C:4])(=[O:7])-[Cl:8].[N:2]-[C:3]	1	1516
+[C:1]-[N:2]-[C:3]>>[C:1](=[O:4])-[O:5]-[C:6]-[C:7].[N:2]-[C:3]	1	1517
+[C:1]-[N:2]-[C:3]>>[C:1]-1-[O:4]-[C:5]-[C:6]-[C:7]-1.[N+:2](-[C:3])(=[O:8])-[O-:9]	1	1518
+[C:1]-[N:2]-[C:3]>>[C:1]-[I:11].[N:2](-[C:3])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]	1	1519
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:4]	1	1520
+[C:1]-[N:2]-[C:3]>>[N:2]-[C:3].[C:1]-[I:4]	1	1521
+[C:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[C:1]-[N:2]-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:14]	3	1522,1523,1524
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[C:6]>>[S:3](=[O:4])(=[O:5])(-[C:6])-[Cl:14].[C:1]-[N:2]-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1525
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[C:6]>>[S:3](=[O:4])(=[O:5])(-[C:6])-[Cl:17].[C:1]-[N:2]-[C:7](=[O:8])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	1	1526
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[c:8]>>[C:1]-[N:2].[S:3](=[O:4])=[O:5].[c:6](:[c:7])(:[c:8])-[N:9]	1	1527
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[C:1]-[N:2]-1-[C:7](=[O:8])-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-[C:15]-1=[O:16].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:17]	1	1528
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:9].[C:1]-[N:2]=[N+:7]=[N-:8]	1	1529
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[S:3](=[O:4])(=[O:5])(-[c:6])-[O:7].[C:1]-[N:2]	1	1530
+[C:1]-[N:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[N:2]=[N+:6]=[N-:7].[c:3](:[c:4])(:[c:5])-[F:8]	2	1531,1532
+[C:1]-[N:2]-[c:3](:[c:4]):[n:6]:[n:5]>>[C:1]-[N:2].[c:3](:[c:4])(:[n:6]:[n:5])-[O:7]	1	1533
+[C:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[N:2]-1-[C:8](=[O:9])-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2-[C:16]-1=[O:17].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:18]	2	1534,1535
+[C:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[N:2].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[O:8]	1	1536
+[C:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[N:2]=[N+:8]=[N-:9].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[F:10]	1	1537
+[C:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:18].[C:1]-[N:2]-1-[C:8](=[O:9])-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2-[C:16]-1=[O:17]	1	1538
+[C:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:18].[C:1]-[N:2]-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	1	1539
+[C:1]-[N:2]-[c:3]:1:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1>>[C:1]-[N:2]-1-[C:11](=[O:12])-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2-[C:19]-1=[O:20].[c:3]:1(:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1)-[Cl:21]	1	1540
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	3	1541,1542,1543
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9].[C:1]-[N:2]	1	1544
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1>>[C:1]-[N:2]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1)-[Cl:16]	2	1545,1546
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5](-[c:6]):[c:7]:[s:8]:1>>[C:1]-[N:2].[C:3](#[N:4])-[S:8]-[C:7]-[C:5](-[c:6])=[O:9]	1	1547
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[C:1]-[N:2]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:16]	1	1548
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:10]-[C:9]	1	1549
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:11].[C:1]-[N:2]=[N+:9]=[N-:10]	1	1550
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:19](-[C:20])(=[O:21])=[O:22].[C:1]-[N:2]-1-[C:9](=[O:10])-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2-[C:17]-1=[O:18]	1	1551
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[s:9]>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[s:9])-[O:10]	1	1552
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:16]	3	1553,1554,1555
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:16]	1	1556
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	1	1557
+[C:1]-[N:2]-[c:3]>>[C:1]=[O:4].[N+:2](-[c:3])(=[O:5])-[O-:6]	2	1558,1559
+[C:1]-[N:2]=[C:3](-[C:4])-[c:5]>>[C:1]-[N:2].[C:3](-[C:4])(-[c:5])-[O:6]	1	1560
+[C:1]-[N:2]=[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])-[O:5]	1	1561
+[C:1]-[N:3](-[C:2])-[C:4](-[N:5]-[N:6])=[O:7]>>[C:4](=[O:7])(-[O:8]-[C:9](-[Cl:10])(-[Cl:11])-[Cl:12])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17].[C:1]-[N:3]-[C:2].[N:5]-[N:6]	1	1562
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[C:6]>>[C:4](-[O:5])(-[C:6])=[O:14].[C:1]-[N:3](-[C:2])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	1563
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[C:1]-[N:3]-[C:2].[C:4](=[O:5])(-[O:16]-[c:15]:1:[c:14]:[c:13]:[c:12](-[N+:10](=[O:9])-[O-:11]):[c:18]:[c:17]:1)-[Cl:19]	1	1564
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[N:6]-[c:7]>>[C:4](=[O:5])=[N:6]-[c:7].[C:1]-[N:3](-[C:2])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	1	1565
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[c:6](:[c:7]:[s:8]):[n:9]>>[C:1]-[N:3](-[C:2])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[C:4](=[O:5])(-[c:6](:[c:7]:[s:8]):[n:9])-[O:17]	1	1566
+[C:1]-[N:3](-[C:2])-[C:4]-[C:5]>>[C:1]-[N:3]-[C:2].[C:4](-[C:5])-[O:6]	1	1567
+[C:1]-[N:3](-[C:2])-[C:4]-[c:5](:[c:6]):[c:7]>>[C:1]-[N:3]-[C:2].[C:4](=[O:8])-[N:9](-[C:10])-[C:11].[c:5](:[c:6])(:[c:7])-[Br:12]	1	1568
+[C:1]-[N:3](-[C:2])-[N:4]>>[C:1]-[N:3]-[C:2].[N:4](-[O:5])=[O:6]	1	1569
+[C:1]-[N:3](-[C:2])-[N:4]>>[C:1]-[N:3]-[C:2].[N:4](=[O:5])-[O:6]	1	1570
+[C:1]-[N:3](-[C:2])-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[N:3](-[C:2])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:18]	1	1571
+[C:1]-[N:3](-[C:2])-[S:4](=[O:5])(=[O:6])-[c:7]>>[C:1]-[N:3](-[C:2])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:15]	1	1572
+[C:1]-[N:5](-[C:3](-[C:2])=[O:4])-[C:6]-[c:7]>>[C:1]-[N:5]-[S:11](-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[C:2]-[C:3](=[O:4])-[O:10]-[C:9]-[C:8].[C:6](-[c:7])=[O:17]	1	1573
+[C:1]-[N:5]=[C:3](-[C:2])-[N:4]>>[C:1]-[N:5]-[C:3](-[C:2])=[O:6].[N:4]	1	1574
+[C:1]-[N:6]-[C:2](-[c:3](:[n:4]):[c:5])=[O:7]>>[C:2](-[c:3](:[n:4]):[c:5])(=[O:7])-[O:10].[C:1]-[N:6]=[N+:8]=[N-:9]	1	1575
+[C:1]-[O:2]-[C:3](-[C:4])-[c:5]>>[O:2]=[C:3](-[C:4])-[c:5].[C:1]-[I:6]	2	1576,1577
+[C:1]-[O:2]-[C:3](-[c:4](:[n:5]:[c:6]:[c:7]):[c:8])(-[C:9])-[C:10]>>[C:1]-[I:11].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:12].[O:2]=[C:3](-[C:9])-[C:10]	1	1578
+[C:1]-[O:2]-[C:3](=[N:4])-[c:5]:1:[n:6]:[c:7](-[C:8]):[c:9]:[c:10]:[c:11]:1>>[C:1]-[O:2].[C:3](=[N-:4])=[C:5]-1-[N+:6](-[C:7](-[C:8])=[C:9]-[C:10]=[C:11]-1)=[O:12]	1	1579
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5](-[C:6])-[O:7]>>[C:1]-[O:2].[O:7].[C:3](=[O:4])(-[C:5](-[C:6])-[N:9])-[O:8]	1	1580
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[O:2].[C:3](=[O:4])(-[C:5])-[O:6]	2	1581,1582
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[O:6].[C:3](-[C:5])#[N:7].[O:2].[O:4]	1	1583
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[O:6].[O:2](-[C:3](=[O:4])-[C:5])-[C:7](-[C:8])(-[C:9])-[C:10]	1	1584
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[O:6].[O:2](-[C:3](=[O:4])-[C:5])-[C:7]-[C:8]	1	1585
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6].[C:1]-[O:2]	1	1586
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[O:2].[N:5](-[C:6])-[C:7].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:17]:[c:16]:1)-[Cl:18]	2	1587,1588
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1]-[O:2].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:17]:[c:16]:1)-[Cl:18]	1	1589
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:17]:[c:16]:1)-[O:18]-[c:19]:2:[c:20]:[c:21]:[c:22](-[N+:23](=[O:24])-[O-:25]):[c:26]:[c:27]:2.[C:1]-[O:2]	1	1590
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5]-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1>>[C:1]-[O:2].[C:3](=[O:4])(-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1)-[O:11]-[C:12].[N:5](=[N+:13]=[N-:14])-[P:15](=[O:16])(-[c:17]:1:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:1)-[c:23]:2:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:2	1	1591
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]:1:[c:6](-[O:7]):[c:8](:[c:9]):[c:11](:[c:10]):[n:12]:[c:13]:1>>[C:1]-[O:2]-[C:13]=[C:5](-[C:3](=[O:4])-[O:17]-[C:18]-[C:19])-[C:6](=[O:7])-[O:16]-[C:15]-[C:14].[c:8](:[c:9]):[c:11](:[c:10])-[N:12]	1	1592
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[O:2].[C:3](-[c:5]:[c:6]:[n:7])#[N:8].[O:4]	1	1593
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[O:2].[C:3](=[O:4])(-[c:5])-[O:6]	2	1594,1595
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[O:2].[O:4].[C:3](-[c:5])#[N:6]	1	1596
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6]-[C:7].[C:1]-[O:2]	1	1597
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6].[C:1]-[O:2]	1	1598
+[C:1]-[O:2]-[C:3]-1-[C:4]-[C:5]-[C:6]-[C:7]-[O:8]-1>>[C:1]-[O:2]-[C:9](=[O:10])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1.[C:3]-1-[C:4]-[C:5]-[C:6]=[C:7]-[O:8]-1	1	1599
+[C:1]-[O:2]-[C:3]-1-[C:4]-[C:5]-[C:6]-[C:7]-[O:8]-1>>[C:3]-1-[C:4]-[C:5]-[C:6]=[C:7]-[O:8]-1.[C:1]-[O:2]-[C:9](=[O:10])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	1	1600
+[C:1]-[O:2]-[C:3]-[C:4]-[N:5]>>[C:1]-[O:2].[C:3](-[C:4](-[N:5])=[O:6])-[Cl:7]	1	1601
+[C:1]-[O:2]-[C:3]-[C:4]>>[C:1]-[I:5].[O:2]-[C:3](-[C:4])=[O:6]	1	1602
+[C:1]-[O:2]-[C:3]-[C:4]>>[C:1]-[I:5].[O:2]=[C:3](-[C:4])-[O:6]-[C:7]	3	1603,1604,1605
+[C:1]-[O:2]-[C:3]-[C:4]>>[C:1]-[O:2].[C:3](-[C:4])-[O:5]	1	1606
+[C:1]-[O:2]-[C:3]-[C:4]>>[O:2]=[C:3](-[C:4])-[O:6]-[C:7].[C:1]-[I:5]	1	1607
+[C:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:1]-[O:2].[C:3](-[c:4](:[n:5]):[c:6])-[O:7]	1	1608
+[C:1]-[O:2]-[C:3]-[c:4]:[c:6]:[n:5]>>[C:1]-[I:7].[O:2]=[C:3]-[c:4]:[c:6]:[n:5]	1	1609
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[I:5].[O:2]=[C:3](-[c:4])-[O:6]-[C:7]	1	1610
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[I:5].[O:2]=[C:3]-[c:4]	1	1611
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[O:2].[C:3](-[c:4])-[O:5]	1	1612
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[O:2].[C:3]-[c:4]	2	1613,1614
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:3]-[c:4].[C:1]-[O:2]	1	1615
+[C:1]-[O:2]-[C:3]>>[C:1]-[I:4].[O:2](-[C:3])-[C:5](=[O:6])-[C:7]	1	1616
+[C:1]-[O:2]-[C:3]>>[C:1]-[I:4].[O:2](-[C:3])-[Si:5](-[C:6])(-[C:7])-[C:8](-[C:9])(-[C:10])-[C:11]	1	1617
+[C:1]-[O:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[C:1]-[O:2]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:14]	2	1618,1619
+[C:1]-[O:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[C:1]-[O:2]-[Si:7](-[C:8])(-[C:9])-[C:10](-[C:11])(-[C:12])-[C:13].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:14]	1	1620
+[C:1]-[O:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:10].[C:1]-[O:2]-[C:7](-[C:8])=[O:9]	1	1621
+[C:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1>>[S:3](=[O:4])(=[O:5])(-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1)-[Cl:16].[C:1]-[O:2]-[C:13](-[C:14])=[O:15]	1	1622
+[C:1]-[O:2]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[O:2]-[Si:7](-[C:8](-[C:9])(-[C:10])-[C:11])(-[C:12])-[C:13].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:14]	1	1623
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[I:6].[c:3](:[c:4])(:[c:5])-[N:9].[O:2]=[N:7]-[O:8]	1	1624
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2]-[Si:6](-[C:7](-[C:8])(-[C:9])-[C:10])(-[C:11])-[C:12].[c:3](:[c:4])(:[c:5])-[O:13]	2	1625,1626
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2].[c:3](:[c:4])(:[c:5])-[O:6]	3	1627,1628,1629
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[N+:7](=[O:8])-[O-:9].[C:1]-[I:6].[O:2]	1	1630
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[N:7].[C:1]-[I:6].[O:2]	1	1631
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:1]-[O:2]	1	1632
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[O:6]-[C:7].[C:1]-[O:2]	1	1633
+[C:1]-[O:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[O:2].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[O:8]	1	1634
+[C:1]-[O:2]-[c:3](:[n:4]:[n:5]):[c:6]>>[C:1]-[O:2].[c:3](:[n:4]:[n:5])(:[c:6])-[O:7]	1	1635
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	2	1636,1637
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:1>>[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:1.[C:1]-[O:2]	1	1638
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	2	1639,1640
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9].[C:1]-[O:2]	1	1641
+[C:1]-[O:5]-[C:4]-[C:3]-[N:2]>>[C:1]-[O:5].[N:2]-[C:3](-[C:4]-[Cl:7])=[O:6]	1	1642
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6]-[C:7]-1-[C:8]-[C:9]-[C:10]-[C:11]-[O:12]-1.[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:13]	1	1643
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:14]	1	1644
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6]-[C:7].[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:8]	2	1645,1646
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6]-[Si:7](-[C:8](-[C:9])(-[C:10])-[C:11])(-[C:12])-[C:13].[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:14]	5	1647,1648,1649,1650,1651
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:13].[C:1]-[O:6]-[C:7]-1-[C:8]-[C:9]-[C:10]-[C:11]-[O:12]-1	1	1652
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:9].[C:1]-[O:6]-[C:7]-[C:8]	1	1653
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1	1	1654
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[N:5](-[C:6])(-[C:7])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1655
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	3	1656,1657,1658
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	4	1659,1660,1661,1662
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1.[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1663
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6]-[C:7]=[C:8])-[C:9]>>[N:5](-[C:6]-[C:7]=[C:8])(-[C:9])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:10]	1	1664
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6]-[C:7]=[C:8])-[C:9]>>[N:5](-[C:6]-[C:7]=[C:8])(-[C:9])-[C:11](=[O:12])-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:10]	1	1665
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6]-[C:7]>>[N:5]#[C:6]-[C:7].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1666
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6]-[c:7]>>[N:5]#[C:6]-[c:7].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1667
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6]>>[N:5](-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	1668
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7].[N+:5](-[c:6])(=[O:8])-[O-:9]	2	1669,1670
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7].[N:5](-[c:6])-[C:8](-[O:9]-[C:10])=[O:11]	1	1671
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[O:7].[N:5]-[c:6]	1	1672
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[N:5](-[c:6])-[C:8](-[C:9])=[O:10].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	1673
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[C:7]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[O:5]=[C:6](-[C:7])-[O:9]-[C:10]	1	1674
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[C:7]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[O:5]=[C:6](-[C:7])-[O:9]-[C:10]-[C:11]	1	1675
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[C:7]>>[O:5](-[C:6](-[C:7])=[O:9])-[C:10].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1676
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[C:7]>>[O:5]-[C:6](-[C:7])=[O:9].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1677
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[c:7]>>[O:5]=[C:6](-[c:7])-[O:9]-[C:10].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1678
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]-[c:7]>>[O:5]=[C:6]-[c:7].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	1679
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[C:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7].[O:5](-[C:6])-[C:8]-1-[C:9]-[C:10]-[C:11]-[C:12]-[O:13]-1	2	1680,1681
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[c:6]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:7].[O:5](-[c:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	1682
+[C:1]-[S:2]-[C:3]-[C:4]>>[C:3](-[C:4])(-[O:5])=[O:6].[C:1]-[S:2]	1	1683
+[C:1]-[S:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[C:1]-[S:2]	2	1684,1685
+[C:1]-[S:2]-[C:3]-[c:4]>>[C:1]-[S:2].[C:3](-[c:4])-[O:5]	1	1686
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6](-[C:7])-[C:8]>>[O:5]=[C:6](-[C:7])-[C:8].[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:9]	1	1687
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[C:7]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:8].[O:5](-[C:6](-[C:7])=[O:10])-[C:9]	1	1688
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[C:7]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:8].[O:5]=[C:6]-[C:7]	1	1689
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[c:7](:[c:8]):[n:9]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:10].[O:5]=[C:6](-[c:7](:[c:8]):[n:9])-[O:11]-[C:12]-[C:13]	2	1690,1691
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[c:7]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:8].[O:5]=[C:6](-[c:7])-[O:9]	1	1692
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]>>[O:5](-[C:6])-[C:8].[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:7]	1	1693
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[c:6]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:7].[O:5](-[c:6])-[C:8]	2	1694,1695
+[C:1]-[Si:2](-[O:3]-[C:4](=[C:5]-[C:6])-[C:7])(-[C:8])-[C:9]>>[C:1]-[Si:2](-[C:8])(-[C:9])-[O:10]-[S:11](=[O:12])(=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[O:3]-1-[C:4](-[C:5]-[C:6])(-[C:7])-[O:18]-[C:19]-[C:20]-1	1	1696
+[C:1]-[Si:2](-[O:3]-[C:4]-[C:5])(-[C:6])-[C:7]>>[C:1]-[Si:2](-[C:6])(-[C:7])-[Cl:8].[O:3]=[C:4](-[C:5])-[O:9]-[C:10]	1	1697
+[C:1]-[Si:2](-[O:3]-[C:4]-[C:5])(-[C:6])-[C:7]>>[O:3]-[C:4](-[C:5])=[O:9].[C:1]-[Si:2](-[C:6])(-[C:7])-[Cl:8]	1	1698
+[C:1]-[c:2]:1:[c:3](-[C:4](-[C:5])=[O:12]):[s:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:4](-[C:5])(=[O:12])-[Cl:13].[C:1]-[C:2](-[C:3]-[S:6]-[c:7](:[c:8]:[c:9]):[c:10])=[O:11]	1	1699
+[C:1]-[c:2]:1:[c:3](-[C:4](-[C:6]=[C:5]-[N:12])=[O:13]):[s:7]:[c:8](:[c:9]:1:[c:10]):[c:11]>>[C:4](-[C:6])(=[O:13])-[Cl:15].[C:5](-[N:12])(-[O:16]-[C:17])-[O:18]-[C:19].[C:1]-[C:2](-[C:3]-[S:7]-[c:8](:[c:9]:[c:10]):[c:11])=[O:14]	1	1700
+[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](-[O:6]):[c:7](:[c:8]):[c:10](:[c:9]):[n:11]:1>>[c:7](:[c:8]):[c:10](:[c:9])-[N+:11](=[O:16])-[O-:17].[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:12]-[C:13]-[C:14])=[O:15]	1	1701
+[C:1]-[c:2]:1:[c:3](-[C:4]):[o:5]:[c:6](-[c:7](:[n:8]):[c:9]):[n:10]:1>>[C:1]-[C:2](-[C:3](-[C:4])-[O:5])-[N:10]-[C:6](-[c:7](:[n:8]):[c:9])=[O:11]	1	1702
+[C:1]-[c:2]:1:[c:3](-[c:4]):[n:5](-[C:6]):[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:6]-[I:13].[C:1]-[C:2]-[C:3](-[c:4])=[O:11].[N:5](-[c:7](:[c:8]:[c:9]):[c:10])-[N:12]	1	1703
+[C:1]-[c:2]:1:[c:3](-[c:4]:2:[n:5]:[c:6](-[N:7]):[n:8]:[c:9]:[c:10]:2):[s:11]:[c:12](:[c:13]:1:[c:14]):[c:15]>>[N:5]=[C:6](-[N:7])-[N:8].[C:9](-[N:17](-[C:24])-[C:25])(-[O:18]-[C:21])-[O:22]-[C:23].[C:4](-[C:10])(=[O:19])-[Cl:20].[C:1]-[C:2](-[C:3]-[S:11]-[c:12](:[c:13]:[c:14]):[c:15])=[O:16]	1	1704
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[n:8]:[n:9]:1>>[C:4](-[C:5](=[O:6])-[O:7])(=[O:10])-[O:12]-[C:13]-[C:14].[C:1]-[C:2](-[C:3])=[O:11].[N:8]-[N:9]	1	1705
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[n:8]:[n:9]:1>>[C:4](-[C:5](=[O:6])-[O:7])(=[O:10])-[O:12]-[C:13]-[C:14].[N:8]-[N:9].[C:1]-[C:2](-[C:3])=[O:11]	1	1706
+[C:1]-[c:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[C:1]-[C:2]#[C:3].[C:4](-[c:5])=[O:8].[N:6]-[O:7]	1	1707
+[C:1]-[c:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:6]-[O:7].[C:1]-[C:2]#[C:3].[C:4](-[c:5])=[O:8]	1	1708
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1-[C:9]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7](:[c:6])-[N:8]-[C:9])-[I:10]	1	1709
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7](:[c:6])-[N:8])-[I:9]	1	1710
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7](:[c:6])-[N:8]-[S:10](-[C:9])(=[O:11])=[O:12])-[I:13]	1	1711
+[C:1]-[c:2]:1:[c:3]:[c:4](:[n:5]:[c:6](-[c:7]):[n:8]:1)-[Cl:9]>>[C:1]-[C:2](-[C:3]-[C:4](=[O:14])-[O:15]-[C:16]-[C:17])=[O:18].[Cl:9]-[P:10](=[O:11])(-[Cl:12])-[Cl:13].[N:5]-[C:6](-[c:7])=[N:8]	1	1712
+[C:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2]#[C:3].[c:4]:1(:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10])-[I:11]	1	1713
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[C:10]):[c:11]:[c:12]:1>>[O:9](-[C:10])-[C:14](-[C:15])=[O:16].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:13]):[c:11]:[c:12]:1	1	1714
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[C:10]-[C:11]):[c:12]:[c:13]:1>>[O:9]=[C:10](-[C:11])-[O:15]-[C:16]-[C:17].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:14]):[c:12]:[c:13]:1	2	1715,1716
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[C:10]-[C:11]):[c:12]:[c:13]:1>>[O:9]=[C:10](-[C:11])-[O:15].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:14]):[c:12]:[c:13]:1	1	1717
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:6](:[n:5]):[n:7]:1>>[C:1]-[I:17].[c:2]:1:[c:3]:[c:4]:[c:6](:[n:5]):[n:7]:1-[S:9](=[O:8])(=[O:10])-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2	1	1718
+[C:1]-[c:2]:1:[c:3]:[n:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2](-[C:3]-[Br:11])=[O:12].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[Cl:13].[N:10]	1	1719
+[C:1]-[c:2]:1:[c:3]:[n:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2](-[C:3]-[Br:11])=[O:12].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[O:13].[N:10]	1	1720
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:[c:9]:1-[O:10]>>[N:6]-[C:7].[C:1]-[C:2]-1=[C:3]-[N:4]-[C:5](-[N:8]-[C:9]-1=[O:10])=[S:11]	2	1721,1722
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:[c:9]:1-[O:10]>>[N:6]-[C:7].[C:1]-[C:2]-[C:9](=[O:10])-[O:17]-[C:16]-[C:15].[C:3](=[O:18])-[O:19]-[C:20]-[C:21].[N:4]-[C:5](-[N:8])=[N:14]-[N+:12](=[O:11])-[O-:13]	1	1723
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:[c:9]:1-[O:10]>>[N:6]-[C:7].[N:4]-[C:5](-[N:8])=[N:14]-[N+:12](=[O:11])-[O-:13].[C:1]-[C:2](-[C:3]=[O:15])-[C:9](=[O:10])-[O:16]-[C:17]-[C:18]	1	1724
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[S:6]-[C:7]-[c:8]):[n:9]:[c:10]:1-[O:11]>>[C:7](-[c:8])-[O:12].[C:1]-[C:2]-1=[C:3]-[N:4]-[C:5](=[S:6])-[N:9]-[C:10]-1=[O:11]	1	1725
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[S:6]-[C:7]-[c:8]):[n:9]:[c:10]:1-[O:11]>>[C:7](-[c:8])=[O:12].[C:1]-[C:2]-1=[C:3]-[N:4]-[C:5](=[S:6])-[N:9]-[C:10]-1=[O:11]	1	1726
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](:[n:6]:[c:7]:1-[O:8])-[N:10]-[N+:9]>>[C:1]-[C:2]-[C:7](=[O:8])-[O:13]-[C:12]-[C:11].[C:3](=[O:14])-[O:15]-[C:16]-[C:17].[N:4]-[C:5](-[N:6])=[N:10]-[N+:9]	1	1727
+[C:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[N:6]):[n:7]:1>>[C:1]-[C:2](-[C:3])=[O:8].[S:4]=[C:5](-[N:6])-[N:7]	1	1728
+[C:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[N:6]):[n:7]:1>>[C:1]-[C:2](-[C:3]-[Br:8])=[O:9].[S:4]=[C:5](-[N:6])-[N:7]-[C:10](=[O:11])-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	1	1729
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[C:1]-[C:2](=[O:8])-[Cl:9].[N:6]-[O:7].[N:3]#[C:4]-[C:5]	1	1730
+[C:1]-[c:2]:1:[n:3]:[c:4](-[N:5]):[n:6]:[o:7]:1>>[N:3]#[C:4]-[N:5].[C:1]-[C:2](=[O:8])-[O:9].[N:6]-[O:7]	1	1731
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6](-[c:7](:[n:8]):[c:9]):[s:10]:1>>[C:1]-[C:2](-[N:3])=[S:10].[C:6]-[c:7](:[n:8]):[c:9].[C:4](-[c:5])(=[O:11])-[O:12]-[C:13]-[C:14]	1	1732
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:2:[c:7]:[n:8]:[c:9]:[c:10]:[n:11]:1:2>>[C:1]-[C:2](=[O:12])-[Cl:13].[N:3]-[C:4](-[c:5])-[c:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:[n:11]:1	1	1733
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[n:7]:1>>[C:1]-[C:2](=[O:8])-[O:10].[N:3]-[C:6]-[C:4](-[c:5])=[O:9].[N:7]	1	1734
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[n:7]:1>>[N:7].[C:1]-[C:2](=[O:8])-[O:10].[N:3]-[C:6]-[C:4](-[c:5])=[O:9]	1	1735
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[C:1]-[C:2]#[N:3].[S:7]=[P:8](-[O:9]-[C:10]-[C:11])(-[O:12])-[S:13]-[C:14]-[C:15].[C:4](-[c:5])(-[C:6]-[Br:16])=[O:17]	1	1736
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[C:1]-[C:2](=[O:8])-[O:9].[N:3]#[C:4]-[c:5].[N:6]-[O:7]	1	1737
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:3]#[C:4]-[c:5].[C:1]-[C:2](-[O:7])=[O:8].[N:6]-[O:9]	1	1738
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:3]#[C:4]-[c:5].[C:1]-[C:2](=[O:8])-[Cl:9].[N:6]-[O:7]	1	1739
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[C:1]-[C:2](-[N:8]-[c:5](:[c:4](-[N+:3](=[O:10])-[O-:11]):[c:7]):[c:6])=[O:9]	1	1740
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[N:3]-[c:4](:[c:5](:[c:6])-[N:8]):[c:7].[C:1]-[C:2](=[O:9])-[O:10]	1	1741
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1-[C:9]):[c:7]>>[C:1]-[C:2](=[O:10])-[Cl:11].[N+:3](-[c:4](:[c:5](:[c:6])-[N:8]-[C:9]):[c:7])(=[O:12])-[O-:13]	1	1742
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[n:6]:1):[c:7]):[c:8]>>[C:1]-[C:2](=[O:9])-[O:10].[N:3]-[c:4](:[c:5](-[N+:6](=[O:11])-[O-:12]):[c:7]):[c:8]	1	1743
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[o:6]:1):[c:7]):[c:8]>>[C:1]-[C:2](=[O:9])-[O:10].[N:3]-[c:4](:[c:5](-[O:6]):[c:7]):[c:8]	1	1744
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[Cl:9]):[c:10]:1>>[C:1]-[C:2](-[C:10]-[C:8](=[O:15])-[O:16]-[C:17]-[C:18])=[O:19].[Cl:9]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[N:3]-[c:4](:[c:5]):[c:7]:[c:6]	1	1745
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[Cl:9]):[n:10]:1>>[Cl:9]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[C:1]-[C:2](=[O:16])-[O:17].[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](-[N:10])=[O:15]	1	1746
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[n:10]:1>>[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[N:10].[C:1]-[C:2](=[O:11])-[Cl:12]	1	1747
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](:[c:9]:1)-[Cl:10]>>[C:1]-[C:2](-[C:9]-[C:8](=[O:15])-[O:16]-[C:17]-[C:18])=[O:19].[Cl:10]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[N:3]-[c:4](:[c:5]):[c:7]:[c:6]	1	1748
+[C:1]-[c:2]:1:[n:3]:[c:4]-2:[c:5](:[c:6]:[c:7]:1)-[C:8]-[C:9]-[C:10]-[N:11]-2>>[C:1]-[C:2](-[C:7])=[O:12].[N:3]-[c:4]:1:[c:5](-[C:6]=[O:13]):[c:8]:[c:9]:[c:10]:[n:11]:1	1	1749
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6](:[c:7]:[n:9]:[c:10]:2):[n:8]):[n:11]:1-[C:12]>>[C:1]-[C:2](-[O:13]-[C:14])(-[O:15]-[C:16])-[O:17]-[C:18].[N+:3](-[c:4]:1:[c:5](:[c:6](:[c:7]:[n:9]:[c:10]:1):[n:8])-[N:11]-[C:12])(=[O:19])-[O-:20]	1	1750
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]>>[C:1]-[C:2](-[O:12]-[C:13])(-[O:14]-[C:15])-[O:16]-[C:17].[N+:3](-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[C:11])(=[O:18])-[O-:19]	2	1751,1752
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]>>[C:1]-[C:2](=[O:12])-[Cl:13].[N+:3](-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[C:11])(=[O:14])-[O-:15]	2	1753,1754
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]>>[N+:3](-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[C:11])(=[O:14])-[O-:15].[C:1]-[C:2](=[O:12])-[Cl:13]	1	1755
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2:[c:9](-[N:10]):[c:11]:1>>[C:1]-[C:2]-1=[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:11]-1)=[O:12].[N:10]	1	1756
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2:[c:9](-[N:10]-[C:11]):[c:12]:1>>[C:1]-[C:2]-1=[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:12]-1)=[O:13].[N:10]-[C:11]	1	1757
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[c:9](:[s:8]):[c:10]:2:[n:11]:1-[C:12]>>[c:4]:1(:[c:5]:[n:6]:[c:7]:[c:9](:[s:8]):[c:10]:1-[N:11]-[C:12])-[N+:13](=[O:15])-[O-:16].[C:1]-[C:2](-[N:3])=[O:14]	1	1758
+[C:1]-[c:2]:1:[n:3]:[n:4](-[C:5]):[c:6](-[N:7]):[c:8]:1-[c:9]>>[C:1]-[C:2](=[O:10])-[O:11]-[C:12]-[C:13].[N:3]-[N:4]-[C:5].[C:6](#[N:7])-[C:8]-[c:9]	1	1759
+[C:1]-[c:2]:1:[n:3]:[n:4](-[C:5]):[c:6](-[c:7]):[c:8]:1-[Br:11]>>[Br:11]-[N:12]-1-[C:13](=[O:14])-[C:15]-[C:16]-[C:17]-1=[O:18].[N:3]-[N:4]-[C:5].[C:1]-[C:2](-[C:8]-[C:6](-[c:7])=[O:9])=[O:10]	1	1760
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[C:1]-[C:2](-[C:8]-[C:6]#[N:7])=[O:9].[N:4]-[c:5].[N:3](=[O:10])-[O:11]	1	1761
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[N:3]-[N:4]-[c:5].[C:1]-[C:2](-[C:8]-[C:6](-[N:7])=[O:10])=[O:9]	1	1762
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[N:4]-[c:5].[C:1]-[C:2](-[C:8]-[C:6]#[N:7])=[O:9].[N:3](=[O:10])-[O:11]	1	1763
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:8]:1-[c:7]>>[C:1]-[C:2](-[N:3]-[N:4])=[O:9].[C:5](-[C:6])(-[N:8]-[c:7])=[O:10]	1	1764
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:8]:1-[c:7]>>[C:5](-[C:6])(-[N:8]-[c:7])=[O:10].[C:1]-[C:2](-[N:3]-[N:4])=[O:9]	1	1765
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[o:7]:1>>[C:5](-[C:6])(=[O:7])-[O:9].[C:1]-[C:2](-[N:3]-[N:4])=[O:8]	2	1766,1767
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[o:7]:1>>[C:1]-[C:2](=[O:7])-[O:8]-[C:9].[C:5](#[N:6])-[Br:10].[N:3]-[N:4]	1	1768
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[o:7]:1>>[C:5](#[N:6])-[Br:10].[N:3]-[N:4].[C:1]-[C:2](=[O:7])-[O:8]-[C:9]	1	1769
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]=[C:7]=[O:8]):[s:9]:1>>[C:1]-[C:2](=[O:10])-[O:11].[C:7](=[O:8])(-[Cl:12])-[Cl:13].[N:3]-[N:4]-[C:5](-[N:6])=[S:9]	1	1770
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[C:1]-[C:2](=[O:8])-[Cl:9].[N:3]-[N:4]-[C:5](-[c:6])=[O:7]	1	1771
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[C:1]-[C:2](=[O:8])-[O:9].[N:3]-[N:4]-[C:5](-[c:6])=[O:7]	1	1772
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[C:5](-[c:6])(=[O:7])-[O:9].[C:1]-[C:2](-[N:3]-[N:4])=[O:8]	1	1773
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]:[c:8]:[n:7]):[o:9]:1>>[C:1]-[C:2](=[O:10])-[Cl:11].[N:3]-[N:4]-[C:5](-[c:6]:[c:8]:[n:7])=[O:9]	1	1774
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]:[c:8]:[n:7]):[o:9]:1>>[C:5](-[c:6]:[c:8]:[n:7])(=[O:9])-[O:11].[C:1]-[C:2](-[N:3]-[N:4])=[O:10]	1	1775
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6]):[n:9]:1:[c:8]:[c:7]>>[C:1]-[C:2](=[O:10])-[O:11].[N:3]-[N:4]-[c:5](:[c:6]):[n:9]:[c:8]:[c:7]	1	1776
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1:2>>[N:3]-[N:4].[c:5]:1(:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1)-[Cl:11].[C:1]-[C:2](=[O:12])-[O:13]-[C:14]	1	1777
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[c:10](:[c:9]):[n:11]:1:2>>[C:1]-[C:2](-[O:12]-[C:13]-[C:14])(-[O:15]-[C:16]-[C:17])-[O:18]-[C:19]-[C:20].[N:3]-[N:4].[c:5]:1(:[c:6]:[n:7]:[c:8]:[c:10](:[c:9]):[n:11]:1)-[Cl:21]	1	1778
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[C:7]>>[N:3](=[N+:4]=[N-:5])-[Si:8](-[C:9])(-[C:10])-[C:11].[C:1]-[C:2](=[O:12])-[O:13].[N:6]-[C:7]	1	1779
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[C:7]>>[N:6]-[C:7].[C:1]-[C:2](=[O:12])-[O:13].[N:3](=[N+:5]=[N-:4])-[Si:9](-[C:8])(-[C:10])-[C:11]	1	1780
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[c:7]>>[N:6]-[c:7].[C:1]-[C:2](=[O:12])-[Cl:13].[N:3](=[N+:4]=[N-:5])-[Si:9](-[C:8])(-[C:10])-[C:11]	1	1781
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2](-[N:3])=[O:7].[N+:4](=[N-:5])=[N-:6]	2	1782,1783
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2](-[N:3])=[O:7].[N-:4]=[N+:5]=[N-:6]	1	1784
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2](-[N:6]-[C:10]-[C:9]-[C:8]#[N:7])=[O:11].[N:3](=[N+:5]=[N-:4])-[Si:12](-[C:13])(-[C:14])-[C:15]	1	1785
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[N-:4]=[N+:5]=[N-:6].[C:1]-[C:2](-[N:3])=[O:7]	1	1786
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[N:6]-[C:10]-[C:9]-[C:8]#[N:7].[C:1]-[C:2](=[O:15])-[O:16].[N:3](=[N+:5]=[N-:4])-[Si:12](-[C:11])(-[C:13])-[C:14]	1	1787
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:1]-[C:2]#[N:7].[N:3]-[O:9].[O:4]-[C:5](-[C:6])=[O:8]	1	1788
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[N:6](-[C:7])-[C:8]):[n:9]:1>>[N:6](-[C:7])-[C:8].[C:5](#[N:10])-[Br:11].[C:1]-[C:2](-[N:3]-[O:4])=[N:9]	1	1789
+[C:1]-[n:2]:1:[c:3](-[C:4]):[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:3](-[C:4])(=[O:12])-[O:13].[C:1]-[N:2]-[c:7](:[c:6](-[N+:5](=[O:10])-[O-:11]):[c:9]):[c:8]	1	1790
+[C:1]-[n:2]:1:[c:3](-[N:4]-[c:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:3](=[N:4]-[c:5])=[S:13].[C:1]-[N:2]-[c:8](:[c:7](-[N+:6](=[O:11])-[O-:12]):[c:10]):[c:9]	1	1791
+[C:1]-[n:2]:1:[c:3](-[N:4]-[c:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:4]-[c:5].[C:1]-[N:2]-[c:8](:[c:7](-[N:6]):[c:10]):[c:9].[C:3](=[S:11])(-[N:12]-1-[C:13](=[O:14])-[C:15]=[C:16]-[C:17]=[C:18]-1)-[N:19]-2-[C:20]=[C:21]-[C:22]=[C:23]-[C:24]-2=[O:25]	1	1792
+[C:1]-[n:2]:1:[c:3](-[c:4]):[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:1]-[N:2]-[c:7](:[c:6](-[N+:5](=[O:10])-[O-:11]):[c:9]):[c:8].[C:3](-[c:4])=[O:12]	1	1793
+[C:1]-[n:2]:1:[c:3](-[c:4]):[n:5]:[n:6]:[c:7]:1-[N:8](-[C:9])-[C:10]>>[C:1]-[N:2]=[C:7]=[S:11].[N:8](-[C:9])-[C:10].[C:3](-[c:4])(-[N:5]-[N:6])=[O:12]	1	1794
+[C:1]-[n:2]:1:[c:3](-[c:4]):[n:5]:[n:6]:[c:7]:1-[N:8](-[C:9])-[C:10]>>[C:1]-[N:2]=[C:7]=[S:12].[N:8](-[C:9])(-[C:10])-[C:11](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[C:3](-[c:4])(-[N:5]-[N:6])=[O:19]	1	1795
+[C:1]-[n:2]:1:[c:3](-[c:4]):[n:5]:[n:6]:[c:7]:1-[N:8]>>[C:1]-[N:2]-[C:7](-[N:8])=[S:9].[C:3](-[c:4])(-[N:5]-[N:6])=[O:10]	1	1796
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:1]-[N:2]-[c:6](:[c:5](-[N+:4](=[O:9])-[O-:10]):[c:8]):[c:7].[C:3](=[O:11])-[O:12]	1	1797
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:3](-[O:11]-[C:12]-[C:13])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[C:1]-[N:2]-[c:6](:[c:5](-[N+:4](=[O:9])-[O-:10]):[c:8]):[c:7]	1	1798
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:3](=[O:11])-[O:12].[C:1]-[N:2]-[c:6](:[c:5](-[N+:4](=[O:9])-[O-:10]):[c:8]):[c:7]	1	1799
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:2>>[C:1]-[N:2]-[c:6]:1:[c:5](-[N+:4](=[O:11])-[O-:12]):[c:10]:[n:9]:[c:8]:[c:7]:1.[C:3](-[O:13]-[C:14]-[C:15])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:20]-[C:21]	1	1800
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:2>>[C:3](-[O:13]-[C:14]-[C:15])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:20]-[C:21].[C:1]-[N:2]-[c:6]:1:[c:5](-[N+:4](=[O:11])-[O-:12]):[c:10]:[n:9]:[c:8]:[c:7]:1	1	1801
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:1:2>>[C:3](-[O:13]-[C:14]-[C:15])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:20]-[C:21].[C:1]-[N:2]-[c:10]:1:[c:5](-[N+:4](=[O:11])-[O-:12]):[c:6]:[c:7]:[c:8]:[n:9]:1	1	1802
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[C:7]>>[C:1]-[N:2].[C:5]-1-[C:6](-[C:7])(-[O:9]-[C:10]-[C:11](-[C:12]-[O:13])(-[O:14])-[O:15]-1)-[O:16].[C:3](#[N:4])-[S:8]	1	1803
+[C:1]-[n:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1-[c:7]>>[C:1]-[N:2]-[N:3].[C:5]-[C:6](-[c:7])=[O:11].[C:4](-[N:9](-[C:8])-[C:10])(-[O:12]-[C:13])-[O:14]-[C:15]	2	1804,1805
+[C:1]=[C:2](-[C:3])-[C:4]-[c:5](:[c:6]):[c:7]>>[C:1]=[C:2](-[C:3])-[C:4]-[Cl:8].[c:5](:[c:6]):[c:7]	1	1806
+[C:1]=[C:2]-[C:3](-[N:4]-[S:5](=[O:6])(=[O:7])-[C:8])=[C:9](-[O:10])-[N:11]>>[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:14].[C:1]=[C:2]-[C:3](-[N+:4](=[O:12])-[O-:13])=[C:9](-[O:10])-[N:11]	1	1807
+[C:1]=[C:2]-[C:3](-[O:4])-[c:5]>>[C:1]=[C:2]-[Mg:6]-[Br:7].[C:3](-[O:4])-[c:5]	1	1808
+[C:1]=[C:2]-[C:3](-[O:4])-[c:5]>>[C:1]=[C:2]-[Mg:6]-[Br:7].[C:3](=[O:4])(-[c:5])-[O:8]	1	1809
+[C:1]=[C:2]-[C:3](-[O:4]-[C:5]-[c:6])=[C:7]-[C:8]>>[C:5](-[c:6])-[Br:16].[C:1]=[C:2]-[C:3](-[O:4]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)=[C:7]-[C:8]	1	1810
+[C:1]=[C:2]-[C:3](=[O:4])-[C:5]>>[C:1]=[C:2]-[Mg:6]-[Br:7].[C:3](=[O:4])(-[C:5])-[O:8]	1	1811
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:8].[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15]	3	1812,1813,1814
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:8]-[C:9].[N:5](-[C:6])-[C:7]	1	1815
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:8].[N:5](-[C:6])(-[C:7])-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15]	1	1816
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:7].[N:5](-[C:6])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	1817
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[O:6]>>[N:5]-[O:6].[C:1]=[C:2]-[C:3](=[O:4])-[O:7]-[C:8]	1	1818
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:7].[N+:5](-[c:6])(=[O:8])-[O-:9]	4	1819,1820,1821,1822
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:7].[N:5](-[c:6])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	1823
+[C:1]=[C:2]-[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[C:1]=[C:2]-[C:3]-[C:4]-[Br:8].[N:5](-[C:6])(-[C:7])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	1824
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5](=[O:6])-[C:7])-[C:8]>>[C:5](=[O:6])(-[C:7])-[O:16].[C:1]=[C:2]-[C:3]-[N:4](-[C:8])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15]	1	1825
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]=[C:2]-[C:3]-[O:7]	1	1826
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5]-[c:6])-[C:7]>>[C:5](-[c:6])=[O:15].[C:1]=[C:2]-[C:3]-[N:4](-[C:7])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	1827
+[C:1]=[C:2]-[C:3]-[O:4]-[c:5]>>[C:1]=[C:2]-[C:3]-[Br:6].[O:4](-[c:5])-[C:7]	3	1828,1829,1830
+[C:1]=[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]=[C:2]-[C:3]-[Br:7].[c:4](:[c:5]):[c:6]	4	1831,1832,1833,1834
+[C:1]=[C:2]-[C:3]=[C:4]-[C:5](-[O:6])-[C:7]-[C:8](=[O:9])-[C:10]>>[C:7]-[C:8](=[O:9])-[C:10].[C:1]=[C:2]-[C:3]=[O:11].[C:4](-[C:5]=[O:6])=[P:12](-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)(-[c:19]:2:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:2)-[c:25]:3:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:3	1	1835
+[C:1]=[C:2]-[C:3]>>[C:2](-[C:3])-[O:4].[C:1]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	1836
+[C:1]=[C:2]-[O:3]-[c:4]>>[O:3]-[c:4].[C:1](-[C:2]-[O:6]-[S:7](-[c:8]:1:[c:9]:[c:10]:[c:11](-[C:12]):[c:13]:[c:14]:1)(=[O:15])=[O:16])-[Cl:5]	1	1837
+[C:1]=[C:2]-[S:3](=[O:4])(=[O:5])-[N:6]-[C:7]-[C:8]>>[C:1](-[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:9])-[Cl:10].[C:7](-[C:8])-[O:21].[N:6]-1-[C:12](-[c:11]:2:[c:16](-[C:15]-1=[O:14]):[c:17]:[c:18]:[c:19]:[c:20]:2)=[O:13]	1	1838
+[C:1]=[C:2]-[S:3](=[O:4])(=[O:5])-[N:6]-[C:7]>>[N:6]-1(-[C:7])-[C:10](-[c:11]:2:[c:12](-[C:13]-1=[O:14]):[c:15]:[c:16]:[c:17]:[c:18]:2)=[O:19].[C:1](-[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:8])-[Cl:9]	1	1839
+[C:1]=[C:2]-[c:3]>>[C:2](-[c:3])-[O:4].[C:1]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	1840
+[Cl:1]-[C:2](-[C:3])-[c:4]>>[Cl:1]-[S:6](-[C:7])(=[O:8])=[O:9].[C:2](-[C:3])(-[c:4])=[O:5]	1	1841
+[Cl:1]-[C:2](-[c:3])-[c:4]>>[Cl:1]-[S:5](=[O:6])-[Cl:7].[C:2](-[c:3])(-[c:4])=[O:8]	1	1842
+[Cl:1]-[C:2]-[C:3]>>[Cl:1]-[S:5](=[O:6])-[Cl:7].[C:2](-[C:3])(=[O:4])-[O:8]-[C:9]-[C:10]	1	1843
+[Cl:1]-[C:2]-[c:3]>>[Cl:1]-[S:4](=[O:5])-[Cl:6].[C:2](-[c:3])=[O:7]	1	1844
+[Cl:1]-[c:2](:[n+:3](:[c:4]:[c:5])-[O-:7]):[c:6]>>[Cl:1]-[P:8](=[O:9])(-[Cl:10])-[Cl:11].[O:7]-[O:12]-[C:13](=[O:14])-[c:15]:1:[c:16]:[c:17](:[c:18]:[c:19]:[c:20]:1)-[Cl:21].[c:2](:[n:3]:[c:4]:[c:5]):[c:6]	1	1845
+[Cl:1]-[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[Cl:1]-[P:7](=[O:8])(-[Cl:9])-[Cl:10].[c:2](:[n:3]:[c:4]:[c:5]):[c:6]	1	1846
+[Cl:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8]:[c:9]:1>>[Cl:1]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[C:2](-[N:3]-[c:4](:[c:5]):[c:7]:[c:6])(-[C:9]=[C:8]-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)=[O:10]	1	1847
+[Cl:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8]:[c:9]:1>>[N:3]-[c:4](:[c:5]):[c:7]:[c:6].[Cl:1]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[C:2](-[C:9]=[C:8]-[c:19]:1:[c:18]:[c:17]:[c:16]:[c:15]:[c:20]:1)(=[O:10])-[Cl:21]	1	1848
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[C:7]-[C:8]=[O:9]>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[O:10].[C:7]-[C:8]=[O:9]	1	1849
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-1(-[c:6])-[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[N:12]-[O:13]-1>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])(-[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[O:14])-[O:15].[N:12]-[O:13]	1	1850
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-1(-[c:6])-[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[N:12]-[O:13]-1>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[O:15].[N:12]-[O:13].[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[O:14]	1	1851
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-1(-[c:6])-[C:7]-[C:8](-[c:9])=[N:10]-[O:11]-1>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[C:7].[N:10]-[O:11].[C:8](-[c:9])=[O:12]	1	1852
+[N+:1]-[C:2]-[C:3]-[c:4]>>[N+:1]-[C:2].[C:3](-[c:4])=[O:5]	1	1853
+[N-:1]=[C:2]=[C:3]-1-[C:4]=[C:5]-[C:6]=[C:7](-[C:8])-[N+:9]-1=[O:10]>>[c:3]:1:[c:4]:[c:5]:[c:6]:[c:7](-[C:8]):[n:9]:1.[N:1]#[C:2]-[Si:11](-[C:12])(-[C:13])-[C:14].[O:10]-[O:15]-[C:16](=[O:17])-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22](-[Cl:23]):[c:24]:1	1	1854
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[C:4](-[C:5])(-[O:6]-[C:8]-[C:7])=[O:9].[N-:1]=[N+:2]=[N-:3]	1	1855
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[C:4](-[C:5])-[O:6].[N-:1]=[N+:2]=[N-:3]	4	1856,1857,1858,1859
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[N-:1]=[N+:2]=[N-:3].[C:4](-[C:5])-[O:6]	3	1860,1861,1862
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[N-:1]=[N+:2]=[N-:3].[C:4](-[C:5])-[O:6]-[C:7]-[C:8]	1	1863
+[N-:1]=[N+:2]=[N:3]-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1>>[N-:1]=[N+:2]=[N-:3].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[O:10]	1	1864
+[N-:1]=[N+:2]=[N:3]-[c:4]>>[N-:1]=[N+:2]=[N-:5].[N+:3](-[c:4])(=[O:6])-[O-:7]	1	1865
+[N:1]#[C:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:17].[N+:1](#[C-:2])-[C:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13]	1	1866
+[N:1]#[C:2]-[C:3](-[N:4]-[C:5](=[O:6])-[O:7])(-[C:8])-[C:9]>>[C:3](-[C:8])(-[C:9])=[O:10].[N:1]#[C:2].[N:4].[C:5](=[O:6])(-[O:7])-[Cl:11]	1	1867
+[N:1]#[C:2]-[C:3](=[C:4](-[c:5])-[Cl:9])-[C:7](-[N:6])=[O:8]>>[N:1]-[C:15]-1-[C:16]-[C:17]-[C:18]-[C:19]-[C:20]-1.[Cl:9]-[P:10](=[O:11])(-[Cl:12])-[Cl:13].[C:2](-[C:3](=[C:4](-[c:5])-[O:21])-[C:7](-[N:6])=[O:8])(=[O:14])-[O:22]-[C:23]-[C:24]	1	1868
+[N:1]#[C:2]-[C:3](=[C:4](-[c:5])-[Cl:9])-[C:7](-[N:6])=[O:8]>>[N:1]-[C:21]-1-[C:10]-[C:11]-[C:12]-[C:13]-[C:14]-1.[Cl:9]-[P:16](=[O:17])(-[Cl:18])-[Cl:19].[C:2](-[C:3](=[C:4](-[c:5])-[O:15])-[C:7](-[N:6])=[O:8])(=[O:20])-[O:22]-[C:23]-[C:24]	1	1869
+[N:1]#[C:2]-[C:3](=[C:4]-[C:5])-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[C:4](-[C:5])=[O:12].[N:1]#[C:2]-[C:3]-[C:6](=[O:7])-[O:11].[N:8](-[C:9])-[C:10]	4	1870,1871,1872,1873
+[N:1]#[C:2]-[C:3](=[C:4]-[C:5])-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[C:4](-[C:5])=[O:19].[N:8](-[C:9])(-[C:10])-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N:1]#[C:2]-[C:3]-[C:6](=[O:7])-[O:11]	3	1874,1875,1876
+[N:1]#[C:2]-[C:3]-[C:4](-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])=[O:7].[N:1]#[C:2]-[C:3]-[P:8](-[O:9]-[C:10]-[C:11])(=[O:12])-[O:13]-[C:14]-[C:15]	1	1877
+[N:1]#[C:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[N:1]#[C:2]	2	1878,1879
+[N:1]#[C:2]-[C:3]-[C:4]>>[N:1]#[C:2].[C:3](-[C:4])-[O:5]	3	1880,1881,1882
+[N:1]#[C:2]-[C:3]-[O:4]-[C:5](-[c:6](:[c:7]):[c:8])-[C:9]>>[O:4]=[C:5](-[C:9])-[N:11](-[O:12]-[C:13])-[C:14].[c:6](:[c:7])(:[c:8])-[Br:15].[N:1]#[C:2]-[C:3]-[Br:10]	1	1883
+[N:1]#[C:2]-[C:3]-[O:4]-[C:5](-[c:6](:[c:7]):[c:8])-[C:9]>>[O:4]=[C:5](-[C:9])-[O:12].[c:6](:[c:7])(:[c:8])-[Br:11].[N:1]#[C:2]-[C:3]-[Br:10]	1	1884
+[N:1]#[C:2]-[C:3]-[O:4]-[C:5](-[c:6])-[C:7]>>[O:4]=[C:5](-[c:6])-[C:7].[N:1]#[C:2]-[C:3]-[Br:8]	1	1885
+[N:1]#[C:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[N:1]#[C:2].[C:3]-[c:4](:[n:5]):[c:6]	1	1886
+[N:1]#[C:2]-[C:3]-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:3]=[O:9].[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1.[N:1]#[C:2]	1	1887
+[N:1]#[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])(-[O:5])=[O:6].[N:1]#[C:2]	1	1888
+[N:1]#[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])(=[O:5])-[O:6].[N:1]#[C:2]	1	1889
+[N:1]#[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[O:5].[N:1]#[C:2]	4	1890,1891,1892,1893
+[N:1]#[C:2]-[C:3]-[c:4]>>[C:3]-[c:4].[N:1]#[C:2]	1	1894
+[N:1]#[C:2]-[C:3]-[c:4]>>[N:1]#[C:2].[C:3](-[c:4])(-[O:5])=[O:6]	2	1895,1896
+[N:1]#[C:2]-[C:3]-[c:4]>>[N:1]#[C:2].[C:3](-[c:4])-[O:5]	2	1897,1898
+[N:1]#[C:2]-[C:3]-[c:4]>>[N:1]#[C:2].[C:3]-[c:4]	2	1899,1900
+[N:1]#[C:2]-[C:3]>>[C:2](-[C:3])(=[O:4])-[O:5].[N:1]	2	1901,1902
+[N:1]#[C:2]-[c:3](:[c:4]):[c:5]>>[N:1]#[C:2].[c:3](:[c:4]):[c:5]	1	1903
+[N:1]#[C:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[c:3](:[c:4]):[n+:7](:[c:6]:[c:5])-[O-:8].[N:1]#[C:2]-[Si:9](-[C:10])(-[C:11])-[C:12]	1	1904
+[N:1]#[C:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[c:3](:[c:4]):[n:7]:[c:6]:[c:5].[N:1]#[C:2]-[Si:8](-[C:9])(-[C:10])-[C:11]	1	1905
+[N:1]#[C:2]-[c:3](:[c:4]:[n:5]):[c:6]>>[N:1]#[C:2].[c:3](:[c:4]:[n:5]):[c:6]	1	1906
+[N:1]#[C:2]-[c:3](:[n:4]):[c:5]>>[N:1]-[O:6].[C:2](-[c:3](:[n:4]):[c:5])-[O:7]	1	1907
+[N:1]#[C:2]-[c:3](:[n:4]):[c:5]>>[N:1]-[O:6].[C:2](-[c:3](:[n:4]):[c:5])=[O:7]	1	1908
+[N:1]#[C:2]-[c:3]:1:[c:4]:[c:5](-[c:6]):[c:7](-[c:8]):[n:9]:[c:10]:1-[Cl:11]>>[C:4](=[C:5](-[c:6])-[C:7](-[c:8])=[O:17])-[N:18](-[C:19])-[C:20].[Cl:11]-[P:12](=[O:13])(-[Cl:14])-[Cl:15].[N:1]#[C:2]-[C:3]-[C:10](-[N:9])=[O:16]	1	1909
+[N:1]#[C:2]-[c:3]:1:[c:4]:[c:5](-[c:6]):[c:7](-[c:8]):[n:9]:[c:10]:1-[O:11]>>[N:1]#[C:2]-[C:3]-[C:10](-[N:9])=[O:11].[C:4](-[N:13](-[C:12])-[C:14])(-[O:16]-[C:17])-[O:18]-[C:19].[C:5](-[c:6])-[C:7](-[c:8])=[O:15]	1	1910
+[N:1]#[C:2]-[c:3]:[c:4]:[n:5]>>[N:1]-[O:6].[C:2](-[c:3]:[c:4]:[n:5])=[O:7]	1	1911
+[N:1]#[C:2]-[c:3]>>[C:2](-[c:3])(=[O:4])-[O:5].[N:1]	1	1912
+[N:1]#[C:2]-[c:3]>>[C:2](-[c:3])=[O:5].[N:1]-[O:4]	1	1913
+[N:1]#[C:2]-[c:3]>>[N:1].[C:2](-[c:3])(-[O:4])=[O:5]	1	1914
+[N:1]#[C:2]-[c:3]>>[N:1].[C:2](-[c:3])(=[O:4])-[O:5]-[C:6]	1	1915
+[N:1](-[C:2](-[C:3])-[C:4])-[C:5]>>[C:2](-[C:3])(-[C:4])=[O:13].[N:1](-[C:5])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	1916
+[N:1](-[C:2](-[C:3])-[C:4])=[N+:6]=[N-:5]>>[C:2](-[C:3])(-[C:4])-[O:7].[N-:1]=[N+:6]=[N-:5]	1	1917
+[N:1](-[C:2](-[C:3])-[c:4])-[S:5](-[C:6])(=[O:7])=[O:8]>>[S:5](-[C:6])(=[O:7])(=[O:8])-[Cl:10].[N:1](=[C:2](-[C:3])-[c:4])-[O:9]	1	1918
+[N:1](-[C:2](-[C:3])-[c:4])=[N+:6]=[N-:5]>>[C:2](-[C:3])(-[c:4])=[O:7].[N:1](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	1	1919
+[N:1](-[C:2](=[O:3])-[N:4](-[C:5])-[C:6])-[C:8](=[O:7])-[O:9]>>[N:4](-[C:5])(-[C:6])-[C:17](-[O:18]-[C:19](-[C:20])(-[C:21])-[C:22])=[O:23].[N:1](-[C:2](=[O:3])-[O:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)-[C:8](=[O:7])-[O:9]	1	1920
+[N:1](-[C:2](=[O:3])-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8])-[C:9]>>[C:2](=[O:3])(-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[N:1](-[C:9])=[N+:10]=[N-:11]	2	1921,1922
+[N:1](-[C:2](=[O:3])-[c:4](:[c:5]:[o:6]):[n:7])-[c:8]>>[C:2](=[O:3])(-[c:4](:[c:5]:[o:6]):[n:7])-[O:11].[N+:1](-[c:8])(=[O:9])-[O-:10]	1	1923
+[N:1](-[C:2])(-[C:3])-[C:12](-[O:11])=[O:13]>>[N:1](-[C:2])(-[C:3])-[C:4]-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1.[O:11]-[C:12](=[O:13])-[Cl:14]	1	1924
+[N:1](-[C:2])(-[c:3])-[C:5](=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]>>[C:2]-[I:17].[O:4]=[C:5](-[C:6](-[F:7])(-[F:8])-[F:9])-[O:10]-[C:11](=[O:12])-[C:13](-[F:14])(-[F:15])-[F:16].[N:1]-[c:3]	1	1925
+[N:1](-[C:2])-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[N:1]-[C:2]	1	1926
+[N:1](-[C:2])-[C:3]-[C:4]>>[N:1]-[C:2].[C:3](-[C:4])-[O:5]	1	1927
+[N:1](-[C:2])-[C:3]-[c:4]>>[C:3](-[c:4])=[O:5].[N:1]-[C:2]	1	1928
+[N:1](-[C:2])-[C:4](-[C:3])-[c:5]>>[N:1]-[C:2].[C:3]-[C:4](-[c:5])=[O:6]	1	1929
+[N:1](-[C:2])-[C:4](=[O:3])-[C:5](-[F:6])(-[F:7])-[F:8]>>[N:1](-[C:2])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[O:3]=[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])-[O:16]-[C:17]-[C:18]	1	1930
+[N:1](-[C:2])-[C:6](-[c:5](:[c:3]):[c:4])-[c:7]>>[C:6](-[c:7])(=[O:8])-[Cl:9].[N:1]-[C:2].[c:3]:[c:5]:[c:4]	1	1931
+[N:1](-[C:2])-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]>>[N:1](-[C:2])=[N+:10]=[N-:11].[C:3]-[C:4](-[C:5])(-[C:6])-[O:7]-[C:8](=[O:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	1932
+[N:1](-[C:2])-[c:3]>>[C:2]-[I:10].[N:1](-[c:3])-[C:5](=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]	1	1933
+[N:1](-[C:2])-[c:3]>>[C:2]-[I:4].[N:1]-[c:3]	1	1934
+[N:1](-[C:2])=[C:6](-[c:5](:[c:3]):[c:4])-[c:7]>>[C:6](-[c:7])(=[O:8])-[Cl:9].[N:1]-[C:2].[c:3]:[c:5]:[c:4]	1	1935
+[N:1](-[C:2]-[C:3])(-[C:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]>>[C:5]-[C:6](-[C:7])(-[C:8])-[O:9]-[C:10](=[O:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[N:1](-[C:2](-[C:3])=[O:12])-[C:4]	1	1936
+[N:1](-[C:2]-[C:3])(-[C:5]=[O:4])-[C:6]=[O:7]>>[C:2](-[C:3])(-[O:8])=[O:9].[N:1](-[C:5]=[O:4])-[C:6]=[O:7]	1	1937
+[N:1](-[C:2]-[C:3])-[C:4]>>[C:2](-[C:3])(-[O:5])=[O:6].[N:1]-[C:4]	1	1938
+[N:1](-[C:2]-[C:3])-[C:4]>>[C:2](-[C:3])(-[O:5]-[C:7])=[O:6].[N:1]-[C:4]	1	1939
+[N:1](-[C:2]-[C:3])-[C:4]>>[C:2](-[C:3])-[O:5].[N:1]-[C:4]	2	1940,1941
+[N:1](-[C:2]-[C:3])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]>>[C:2](-[C:3])-[O:21]-[S:22](-[C:23])(=[O:24])=[O:25].[C:4]-[C:5](-[C:6])(-[C:7])-[O:8]-[C:9](=[O:10])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N-:1]=[N+:20]=[N-:19]	1	1942
+[N:1](-[C:2]-[C:3])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]>>[C:2](-[C:3])-[O:21].[C:4]-[C:5](-[C:6])(-[C:7])-[O:8]-[C:9](=[O:10])-[O:11]-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[N-:1]=[N+:20]=[N-:19]	1	1943
+[N:1](-[C:2]-[C:3])-[c:4]>>[C:2](-[C:3])-[O:5].[N:1]-[c:4]	1	1944
+[N:1](-[C:2]-[C:3])=[N+:5]=[N-:4]>>[C:2](-[C:3])(=[O:6])-[O:7].[N-:1]=[N+:5]=[N-:4]	1	1945
+[N:1](-[C:2]-[C:3])=[N+:5]=[N-:4]>>[C:2](-[C:3])-[O:6].[N-:1]=[N+:5]=[N-:4]	1	1946
+[N:1](-[C:2]-[C:3])=[N+:5]=[N-:4]>>[N-:1]=[N+:5]=[N-:4].[C:2](-[C:3])-[O:6]	5	1947,1948,1949,1950,1951
+[N:1](-[C:2]-[c:3])-[C:4]>>[N:1]-[C:4].[C:2](-[c:3])(=[O:5])-[O:6]	1	1952
+[N:1](-[C:2]-[c:3])-[c:4]>>[N+:1](-[c:4])(=[O:5])-[O-:6].[C:2](-[c:3])=[O:7]	1	1953
+[N:1](-[C:2]-[c:3])=[N+:4]=[N-:5]>>[N-:1]=[N+:4]=[N-:5].[C:2]-[c:3]	1	1954
+[N:1](-[C:2]-[c:3])=[N+:5]=[N-:4]>>[C:2]-[c:3].[N-:1]=[N+:5]=[N-:4]	1	1955
+[N:1](-[C:2]-[c:3])=[N+:5]=[N-:4]>>[N-:1]=[N+:5]=[N-:4].[C:2](-[c:3])-[O:6]	1	1956
+[N:1](-[c:2](:[c:3]:[n:4]):[c:6]:[n:5])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]>>[C:7]-[C:8](-[C:9])(-[C:10])-[O:11].[N:1](=[N+:15]=[N-:16])-[P:17](=[O:18])(-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1)-[c:25]:2:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:2.[c:2](:[c:3]:[n:4])(:[c:6]:[n:5])-[C:12](=[O:13])-[O:14]-[C:31]-[C:32]	1	1957
+[N:1](-[c:2])-[C:6](=[O:5])-[C:7](-[F:8])(-[F:9])-[F:10]>>[O:5]=[C:6](-[C:7](-[F:8])(-[F:9])-[F:10])-[O:11]-[C:12](=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[N+:1](-[c:2])(=[O:3])-[O-:4]	1	1958
+[N:1](-[c:2])-[S:3](-[C:4])(=[O:5])=[O:6]>>[N+:1](-[c:2])(=[O:7])-[O-:8].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:9]	1	1959
+[N:1](-[c:2])=[N+:3]=[N-:4]>>[N+:3](=[N-:4])=[N-:7].[N+:1](-[c:2])(=[O:5])-[O-:6]	1	1960
+[N:1](-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1)-[C:11](-[O:10])=[O:12]>>[N:1](=[C:2]=[S:13])-[C:11](-[O:10])=[O:12].[n:4](:[c:5]:[c:6]):[c:8](:[c:7])-[N:9].[N:3]-[O:14]	1	1961
+[N:1](=[C:2]-[c:3](:[n:4]):[c:5])-[O:6]>>[N:1]-[O:6].[C:2](-[c:3](:[n:4]):[c:5])-[O:7]	1	1962
+[N:1]-1-[C:2](=[O:3])-[C:4](-[N:5]-[C:6])=[C:7]-[S:8]-1>>[N:1]-1-[C:2](=[O:3])-[C:4](=[C:7]-[S:8]-1)-[O:9].[N:5]-[C:6]	1	1963
+[N:1]-1-[C:2](=[O:3])-[C:4](-[N:5]-[C:6])=[C:7]-[S:8]-1>>[N:5](-[C:6])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[N:1]-1-[C:2](=[O:3])-[C:4](=[C:7]-[S:8]-1)-[Cl:9]	1	1964
+[N:1]-1-[C:2](=[O:3])-[N:4](-[c:5])-[C:6](=[O:7])-[C:8]=[C:9]-1-[C:10]>>[C:2](=[O:3])(-[O:14]-[C:15](-[Cl:16])(-[Cl:17])-[Cl:18])-[Cl:19].[N:1]-[C:9](=[C:8]-[C:6](=[O:7])-[O:11]-[C:12]-[C:13])-[C:10].[N:4]-[c:5]	1	1965
+[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[c:7]:2:[c:8](-[c:9](:[c:10]):[n:11]):[n:12](-[C:13]-[c:14]):[n:15]:[c:16]-1:2>>[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[C:7]=[C:16]-1-[Cl:17].[C:13](-[c:14])=[O:19].[N:12]-[N:15].[C:8](-[c:9](:[c:10]):[n:11])=[O:18]	1	1966
+[N:1]-1-[C:2](=[O:3])-[c:4]:2:[c:5](-[c:6]):[n:7](-[c:8]):[c:9]:[c:10]:2-[N:11]-[C:12]-1=[O:13]>>[N:7]-[c:8].[N:1]-1-[C:2](=[O:3])-[C:4](-[C:5](-[c:6])=[O:14])=[C:10](-[C:9])-[N:11]-[C:12]-1=[O:13]	1	1967
+[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[c:7]:2:[c:8]-1:[n:9]:[c:10]:[n:11]:2>>[C:10](=[O:12])-[O:13].[N:11](-[O:14])=[O:15].[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[C:7]=[C:8]-1-[N:9]	1	1968
+[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[c:7]:2:[c:8]-1:[n:9]:[c:10]:[n:11]:2>>[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[C:7](=[C:8]-1-[N:9])-[N:11]=[O:12].[C:10](=[O:13])-[O:14]	1	1969
+[N:1]-1-[C:2]-[C:3]-[O:4]-[c:5]:[c:6]-1>>[C:2](-[C:3]-[Cl:8])(=[O:7])-[Cl:9].[N:1]-[c:6]:[c:5]-[O:4]	1	1970
+[N:1]-1-[C:2]=[C:3](-[c:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2)-[C:10]=[C:11](-[N:12])-[C:13]-1>>[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:15].[N:1]-1-[C:2]=[C:3](-[C:10]=[C:11](-[N:12])-[C:13]-1)-[Br:14]	1	1971
+[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[N:6]-[c:7](:[n:8]):[c:9])-[C:10]-1=[O:11]>>[N+:6](-[c:7](:[n:8]):[c:9])(=[O:13])-[O-:14].[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[C:10]-1=[O:11])-[Br:12]	1	1972
+[N:1]-1-[N:2]=[C:3]-[C:4](-[C:5](=[O:6])-[c:7])-[C:8]-1=[O:9]>>[N:1]-1-[N:2]=[C:3]-[C:4]-[C:8]-1=[O:9].[C:5](=[O:6])(-[c:7])-[O:10]	1	1973
+[N:1]-1-[N:2]=[C:3]-[C:4](-[C:5](=[O:6])-[c:7])-[C:8]-1=[O:9]>>[N:1]-1-[N:2]=[C:3]-[C:4]-[C:8]-1=[O:9].[C:5](=[O:6])(-[c:7])-[O:10]-[C:11]	1	1974
+[N:1]-1-[c:2]:[c:3](-[C:4](=[O:5])-[C:8]-1=[O:7]):[c:6]>>[C:4](-[O:7])(-[C:8](-[Cl:10])(-[Cl:11])-[Cl:12])-[O:13].[O:5]-[N:9].[N:1]-[c:2]:[c:3]:[c:6]	1	1975
+[N:1]-[C:12](-[N:8](-[C:3](-[C:2])-[O:4]-[C:5](=[O:6])-[C:7])-[c:9](:[n:10]):[s:11])=[O:13]>>[N:1]-[C:12](-[N:8]-[c:9](:[n:10]):[s:11])=[O:13].[C:2]-[C:3]=[O:4].[C:5](=[O:6])(-[C:7])-[Cl:14]	1	1976
+[N:1]-[C:12](-[N:8](-[C:3](-[C:2])-[O:4]-[C:5](=[O:6])-[O:7])-[c:9](:[n:10]):[s:11])=[O:13]>>[N:1]-[C:12](-[N:8]-[c:9](:[n:10]):[s:11])=[O:13].[C:2]-[C:3]=[O:4].[C:5](=[O:6])(-[O:7])-[Cl:14]	1	1977
+[N:1]-[C:2](-[C:3](-[C:4])-[N:5](-[C:9]=[O:8])-[C:10]=[O:11])=[C:6](-[C:7])-[Br:12]>>[C:4]-[Mg:13]-[Br:14].[N:1]-[C:2](-[C:3]-[O:15]-[C:16](-[C:17])=[O:18])=[C:6](-[C:7])-[Br:12].[N:5](-[C:9]=[O:8])-[C:10]=[O:11]	1	1978
+[N:1]-[C:2](-[C:3](-[C:4])-[N:5](-[C:9]=[O:8])-[C:10]=[O:11])=[C:6](-[C:7])-[Br:12]>>[N:1]-[C:2](-[C:3]-[O:13])=[C:6](-[C:7])-[Br:12].[C:4]-[Mg:14]-[Br:15].[N:5](-[C:9]=[O:8])-[C:10]=[O:11]	1	1979
+[N:1]-[C:2](-[C:3](-[C:4])-[N:5](-[C:9]=[O:8])-[C:10]=[O:11])=[C:6](-[C:7])-[Br:12]>>[N:1]-[C:2](-[C:3]=[O:13])=[C:6](-[C:7])-[Br:12].[C:4]-[Mg:14]-[Br:15].[N:5](-[C:9]=[O:8])-[C:10]=[O:11]	1	1980
+[N:1]-[C:2](-[C:3](-[C:4])-[O:8])=[C:5](-[C:6])-[Br:7]>>[C:4]-[Mg:12]-[Br:13].[N:1]-[C:2](-[C:3]-[O:8]-[C:9](-[C:10])=[O:11])=[C:5](-[C:6])-[Br:7]	1	1981
+[N:1]-[C:2](-[C:3](-[C:4])-[O:8])=[C:5](-[C:6])-[Br:7]>>[N:1]-[C:2](-[C:3]-[O:8])=[C:5](-[C:6])-[Br:7].[C:4]-[Mg:9]-[Br:10]	1	1982
+[N:1]-[C:2](-[C:3])-[C:4]>>[C:2](-[C:3])(-[C:4])-[O:15].[N:1]-1-[C:6](=[O:5])-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14]	1	1983
+[N:1]-[C:2](-[C:3])-[C:4]>>[C:2](-[C:3])(-[C:4])-[O:5].[N:1]	1	1984
+[N:1]-[C:2](-[C:3])-[C:4]>>[C:2](-[C:3])(-[C:4])=[O:12].[N:1]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1	1	1985
+[N:1]-[C:2](-[C:3])-[C:4]>>[C:2](-[C:3])(-[C:4])=[O:6].[N:1]-[O:5]	1	1986
+[N:1]-[C:2](-[C:3])-[C:4]>>[N:1].[C:2]-1(-[C:3])(-[C:4])-[O:5]-[C:6]-[C:7]-[O:8]-1	1	1987
+[N:1]-[C:2](-[C:3])-[c:4]>>[C:2](-[C:3])(-[c:4])-[O:15].[N:1]-1-[C:6](=[O:5])-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14]	1	1988
+[N:1]-[C:2](-[C:3])-[c:4]>>[C:2](-[C:3])(-[c:4])-[O:7].[N:1](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	1	1989
+[N:1]-[C:2](-[C:3])-[c:4]>>[C:2](-[C:3])(-[c:4])=[O:7].[N:1](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	1	1990
+[N:1]-[C:2](-[C:3]=[O:7])=[C:4](-[C:5])-[Br:6]>>[N:1]-[C:2](-[C:3]-[O:7]-[C:8](-[C:9])=[O:10])=[C:4](-[C:5])-[Br:6]	1	1991
+[N:1]-[C:2](-[c:3](:[c:4]):[c:5])=[N:6]-[O:7]>>[N:1]#[C-:2]~[Cu+:8].[N:6]-[O:7].[c:3](:[c:4])(:[c:5])-[Br:9]	1	1992
+[N:1]-[C:2](-[c:3])=[O:4]>>[C:2](-[c:3])(=[O:4])-[O:5].[N:1]	1	1993
+[N:1]-[C:2](-[c:3])=[O:4]>>[N:1].[C:2](-[c:3])(-[O:4]-[C:6])=[O:5]	1	1994
+[N:1]-[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)=[O:8]>>[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)(=[O:8])-[O:9]-[C:10]-[C:11].[N:1]	1	1995
+[N:1]-[C:2](=[C:3](-[N:4])-[C:5](=[O:6])-[N:7])-[N:8]>>[N:1]-[C:2](=[C:3]-[C:5](=[O:6])-[N:7])-[N:8].[N:4](=[O:9])-[O:10]	1	1996
+[N:1]-[C:2](=[C:3](-[N:4])-[N:5])-[C:7](-[N:6])=[O:8]>>[C:2](=[C:3](-[N:4])-[N:5])-[C:7](-[N:6])=[O:8].[N:1](=[O:9])-[O:10]	1	1997
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])=[C:7](-[c:8])-[Cl:9]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:14])-[O:22]-[C:23]-[C:24])=[C:7](-[c:8])-[O:15].[N:6]-[C:16]-1-[C:17]-[C:18]-[C:19]-[C:20]-[C:21]-1.[Cl:9]-[P:10](=[O:11])(-[Cl:12])-[Cl:13]	1	1998
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]-[O:6])(-[c:7])-[c:8]>>[C:5]-1(=[O:6])-[N:14](-[C:13]-[C:12]-[C:11]-[C:10]-[C:9])-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19](-[Br:20]):[c:21]:2-[C:22]-1(-[c:23]:3:[c:24]:[c:25]-4:[c:26](:[c:27]:[c:28]:3-[O:29])-[O:30]-[C:31]-[O:32]-4)-[O:33].[N:1]-[C:2](=[O:3])-[C:4](-[c:7])-[c:8]	1	1999
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]-[O:6])(-[c:7])-[c:8]>>[C:5]=[O:6].[N:1]-[C:2](=[O:3])-[C:4](-[c:7])(-[c:8])-[O:9]	2	2000,2001
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]-[O:6])(-[c:7])-[c:8]>>[N:1]-[C:2](=[O:3])-[C:4](-[c:7])(-[c:8])-[O:9].[C:5]-1(=[O:6])-[N:10](-[C:11]-[C:12]-[C:13]-[C:14]-[C:15])-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20](-[Br:21]):[c:22]:2-[C:23]-1-[c:24]:3:[c:25]:[c:26]-4:[c:27](:[c:28]:[c:29]:3-[O:30])-[O:31]-[C:32]-[O:33]-4	1	2002
+[N:1]-[C:2](=[O:3])-[C:4](-[c:5](:[c:6]):[c:7])-[c:8]>>[c:5](:[c:6]):[c:7].[N:1]-[C:2](=[O:3])-[C:4](-[c:8])=[O:9]	1	2003
+[N:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6](:[c:7]:[s:8]):[n:9])-[S:10]>>[C:5](-[c:6](:[c:7]:[s:8]):[n:9])(=[O:11])-[O:12]-[C:13]-[C:14].[N:1]-[C:2](=[O:3])-[C:4]-[S:10]	1	2004
+[N:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6](:[c:7]:[s:8]):[n:9])-[S:10]>>[C:5](-[c:6](:[c:7]:[s:8]):[n:9])-[O:11].[N:1]-[C:2](=[O:3])-[C:4]-[S:10]	1	2005
+[N:1]-[C:2](=[O:3])-[C:4]-1(-[C:5]-[O:6]-[c:7](:[c:8]):[c:9]-1)-[c:10]>>[C:5]-1(=[O:6])-[N:12](-[C:13]-[C:14]-[C:15]-[C:16]-[C:17])-[c:18]:2:[c:19]:[c:20]:[c:21]:[c:22](-[Br:23]):[c:24]:2-[C:25]-1-[c:26]:3:[c:27]:[c:28]-4:[c:29](:[c:30]:[c:31]:3-[O:32])-[O:33]-[C:34]-[O:35]-4.[N:1]-[C:2](=[O:3])-[C:4](-[c:9]:[c:7](:[c:8])-[O:11])-[c:10]	1	2006
+[N:1]-[C:2](=[O:3])-[C:4]-1(-[C:5]-[O:6]-[c:7](:[c:8]):[c:9]-1)-[c:10]>>[C:5]-1(=[O:6])-[N:17](-[C:16]-[C:15]-[C:14]-[C:13]-[C:12])-[c:18]:2:[c:19]:[c:20]:[c:21]:[c:22](-[Br:23]):[c:24]:2-[C:25]-1(-[c:26]:3:[c:27]:[c:28]-4:[c:29](:[c:30]:[c:31]:3-[O:32])-[O:33]-[C:34]-[O:35]-4)-[O:36].[N:1]-[C:2](=[O:3])-[C:4](-[c:9]:[c:7](:[c:8])-[O:11])-[c:10]	1	2007
+[N:1]-[C:2](=[O:3])-[C:4]-1(-[C:5]-[O:6]-[c:7](:[c:8]):[c:9]-1)-[c:10]>>[N:1]-[C:2](=[O:3])-[C:4](-[c:9]:[c:7](:[c:8])-[O:11])(-[c:10])-[O:12].[C:5]-1(=[O:6])-[N:13](-[C:14]-[C:15]-[C:16]-[C:17]-[C:18])-[c:19]:2:[c:20]:[c:21]:[c:22]:[c:23](-[Br:24]):[c:25]:2-[C:26]-1-[c:27]:3:[c:28]:[c:29]-4:[c:30](:[c:31]:[c:32]:3-[O:33])-[O:34]-[C:35]-[O:36]-4	1	2008
+[N:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[O:6])-[C:7](=[O:8])-[N:9]-[C:10]-1>>[N:1]-[C:2](=[O:3])-[C:4]=[C:5]-1-[O:6]-[C:29](-[C:30])(-[C:31])-[O:32]-[C:27]-1=[O:28].[C:7]-1(=[O:8])-[N:9]-[C:10]-[C:15](=[C:13]-1-[O:14])-[C:16](=[O:12])-[N:17](-[C:18])-[C:19]-[c:20]:2:[c:11]:[c:25](:[c:23](:[c:22]:[c:21]:2)-[Cl:24])-[Cl:26]	1	2009
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:16].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15]	1	2010
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:16].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15]	1	2011
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:9]-[C:10].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]	2	2012,2013
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[C:6](=[O:7])(-[C:8])-[O:16]	2	2014,2015
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[C:8])-[O:9]	1	2016
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8](:[c:9]):[o:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[C:6](=[O:7])(-[c:8](:[c:9]):[o:10])-[O:18]	1	2017
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8])-[O:9]-[C:10]-[C:11]	1	2018
+[N:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[C:7](=[O:8])-[C:9]>>[C:7](=[O:8])(-[C:9])-[O:17].[N:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16]	1	2019
+[N:1]-[C:2](=[O:3])-[C:4]>>[C:2](-[O:3]-[C:6]-[C:7])(-[C:4])=[O:5].[N:1]	1	2020
+[N:1]-[C:2](=[O:3])-[C:4]>>[C:2](=[O:3])(-[C:4])-[O:5]-[C:6].[N:1]	1	2021
+[N:1]-[C:2](=[O:3])-[C:4]>>[N:1].[C:2](=[O:3])(-[C:4])-[O:5]-[C:6]	1	2022
+[N:1]-[C:2](=[O:3])-[C:4]>>[N:1].[C:2](=[O:3])(-[C:4])-[O:5]-[C:6]-[C:7]	2	2023,2024
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+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[N:6]):[c:7]:2:[c:8](:[n:9]:[c:10]:[n:11]:[c:12]:2):[s:13]:1>>[C:5](#[N:6])-[c:7]:1:[c:8](:[n:9]:[c:10]:[n:11]:[c:12]:1)-[O:14].[N:1]-[C:2](=[O:3])-[C:4]-[S:13]	1	2032
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+[N:1]-[C:2](=[O:3])-[c:4]>>[C:2](=[O:3])(-[c:4])-[O:5]-[C:6]-[C:7].[N:1]	1	2034
+[N:1]-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[N:7]-[C:8]>>[N:1]-[C:2](=[S:3])-[N:4].[N:7]-1(-[C:8])-[C:11](=[O:12])-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2-[C:19]-1=[O:20].[C:5](=[O:6])(-[C:9])-[O:10]	1	2035
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+[N:1]-[C:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[N:1]#[C:2].[C:3](-[c:4](:[n:5]):[c:6])-[Br:7]	1	2042
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+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])(=[O:4])-[O:5].[N:1]	1	2048
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])(=[O:6])-[O:7].[N-:1]=[N+:5]=[N-:4]	1	2049
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[Br:14].[N:1]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	2050
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+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:11].[N:1]-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:10]:[c:9]:1	1	2053
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:14]-[S:15](-[C:16])(=[O:17])=[O:18].[N:1]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	2054
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:14].[N:1]-1-[C:5](-[c:4]:2:[c:9](-[C:8]-1=[O:7]):[c:10]:[c:11]:[c:12]:[c:13]:2)=[O:6]	1	2055
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:14].[N:1]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	2056
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10].[N-:1]=[N+:5]=[N-:4]	1	2057
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+[N:1]-[C:2]-[C:3]>>[N-:1]=[N+:5]=[N-:4].[C:2](-[C:3])-[O:6]-[S:7](-[C:8])(=[O:9])=[O:10]	5	2068,2069,2070,2071,2072
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+[N:1]-[C:2]-[c:3](:[c:4]:[n:5]):[n:6]>>[N-:1]=[N+:8]=[N-:7].[C:2](-[c:3](:[c:4]:[n:5]):[n:6])-[O:9]	1	2076
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+[N:1]-[C:2]-[c:3]:[c:4]:[n:5]>>[C:2](-[c:3]:[c:4]:[n:5])-[Br:8].[N-:1]=[N+:7]=[N-:6]	1	2079
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+[N:1]-[C:2]-[c:3]>>[C:2](-[c:3])=[O:5].[N:1]-[O:4]	1	2083
+[N:1]-[C:2]-[c:3]>>[C:2]-[c:3].[N-:1]=[N+:5]=[N-:4]	1	2084
+[N:1]-[C:2]-[c:3]>>[N-:1]=[N+:5]=[N-:4].[C:2](-[c:3])-[Br:6]	1	2085
+[N:1]-[C:2]-[c:3]>>[N:1]#[C:2]-[c:3]	1	2086
+[N:1]-[C:2]-[c:3]>>[N:1](-[C:5])(-[C:6])-[C:7]=[O:8].[C:2](-[c:3])(=[O:4])-[O:9]	1	2087
+[N:1]-[C:2]-[c:3]>>[N:1]-[C:2](-[c:3])=[O:4]	1	2088
+[N:1]-[C:2]-[c:3]>>[N:1]-[O:4].[C:2](-[c:3])=[O:5]	1	2089
+[N:1]-[C:2]-[c:3]>>[N:1].[C:2](-[c:3])(=[O:4])-[O:5]	1	2090
+[N:1]-[C:2]-[c:3]>>[N:1].[C:2](-[c:3])(=[O:4])-[O:5]-[C:6]	1	2091
+[N:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:7]:[n:6])-[c:8]>>[N:1]-[C:2]=[C:3]-[c:8].[c:4](:[c:5])(:[c:7]:[n:6])-[B:9](-[O:10])-[O:11]	1	2092
+[N:1]-[C:2]=[N:3]-[c:4]>>[N:1]-[C:2](-[O:5]-[C:6])-[O:7]-[C:8].[N+:3](-[c:4])(=[O:9])-[O-:10]	1	2093
+[N:1]-[C:5](-[c:4](:[c:2]):[c:3])-[c:6]>>[N:1]-[C:5](-[c:6])=[O:7].[c:2]:[c:4]:[c:3]	1	2094
+[N:1]-[C:6](=[C:5](-[C:3](-[N:2])=[O:4])-[N:8])-[N:7]>>[N:1]-[C:6](=[C:5]-[C:3](-[N:2])=[O:4])-[N:7].[N:8](=[O:9])-[O:10]	1	2095
+[N:1]-[C:6](=[C:5](-[C:3](-[N:2])=[O:4])-[N:8])-[N:7]>>[N:8](-[O:9])=[O:10].[N:1]-[C:6](=[C:5]-[C:3](-[N:2])=[O:4])-[N:7]	1	2096
+[N:1]-[C:7](-[C:5](=[C:3](-[N:2])-[N:4])-[N:6])=[O:8]>>[N:1]-[C:7](-[C:5]=[C:3](-[N:2])-[N:4])=[O:8].[N:6](-[O:9])=[O:10]	1	2097
+[N:1]-[N:2]-[C:3](-[c:4])=[O:5]>>[C:3](-[c:4])(=[O:5])-[O:6].[N:1]-[N:2]	1	2098
+[N:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[N:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]	1	2099
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:7]:[n:6]>>[C:3](=[O:4])(-[c:5]:[c:7]:[n:6])-[O:8]-[C:9].[N:1]-[N:2]	1	2100
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6].[N:1]-[N:2]	1	2101
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[N:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7]	1	2102
+[N:1]-[N:2]-[c:3]>>[N+:2](-[c:3])(=[O:6])-[O-:7].[N:1](=[O:4])-[O:5]	4	2103,2104,2105,2106
+[N:1]-[N:2]-[c:3]>>[N:1](=[O:4])-[O:5].[N+:2](-[c:3])(=[O:6])-[O-:7]	2	2107,2108
+[N:1]-[S:2](=[O:3])(=[O:4])-[c:5](:[c:6]):[c:7]>>[N:1].[S:2](=[O:3])=[O:4].[c:5](:[c:6])(:[c:7])-[N:8]	1	2109
+[N:1]-[c:2](:[c:3]):[c:4]>>[N+:1](-[O:5])(-[O-:6])=[O:7].[c:2](:[c:3]):[c:4]	3	2110,2111,2112
+[N:1]-[c:2](:[c:3]):[c:4]>>[N+:1](=[O:5])(-[O-:6])-[O:7].[c:2](:[c:3]):[c:4]	5	2113,2114,2115,2116,2117
+[N:1]-[c:2](:[c:3]):[c:4]>>[N:1]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11].[c:2](:[c:3])(:[c:4])-[Br:12]	1	2118
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[C:5](=[O:6])-[O:7].[N:1](=[N+:8]=[N-:9])-[P:10](=[O:11])(-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)-[c:18]:2:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:2	2	2119,2120
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[F:7].[N-:1]=[N+:6]=[N-:5]	1	2121
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3]):[c:4].[N+:1](-[O:5])(-[O-:6])=[O:7]	1	2122
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3]):[c:4].[N+:1](=[O:5])(-[O-:6])-[O:7]	3	2123,2124,2125
+[N:1]-[c:2](:[c:3]):[n:6]:[c:5]:[c:4]>>[c:2](:[c:3])(:[n:6]:[c:5]:[c:4])-[F:16].[N:1]-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:15]:[c:14]:1	2	2126,2127
+[N:1]-[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[c:2](:[n:3]:[c:4]:[c:5])(:[c:6])-[Cl:16].[N:1]-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:15]:[c:14]:1	2	2128,2129
+[N:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[C:4](-[C:5])(=[O:8])-[O:9]-[C:10].[N:1]#[C:2]-[C:3].[N:6]-[O:7]	1	2130
+[N:1]-[c:2]:1:[c:3]:[c:4](:[n:5]):[n:6]:[c:7]:[c:8]:1>>[c:2]:1(:[c:3]:[c:4](:[n:5]):[n:6]:[c:7]:[c:8]:1)-[Br:16].[N:1]-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]	1	2131
+[N:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[s:6]:1>>[N+:1](-[O:7])(-[O-:8])=[O:9].[c:2]:1:[c:3]:[c:4]:[c:5]:[s:6]:1	1	2132
+[N:1]-[c:2]:1:[n+:3](:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10])-[O-:11]>>[O:11]-[O:12]-[C:13](-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18](-[Cl:19]):[c:20]:1)=[O:21].[N:1].[c:2]:1:[n:3]:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]	1	2133
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5](:[n:6]):[c:7]):[c:8]:[s:9]:1>>[C:4](-[c:5](:[n:6]):[c:7])(-[C:8]-[Br:18])=[O:19].[N:1]-[C:2](-[N:3]-[C:10](=[O:11])-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)=[S:9]	1	2134
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[C:4](-[c:5])(-[C:6]-[Br:16])=[O:17].[N:1]-[C:2](-[N:3]-[C:8](=[O:9])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)=[S:7]	1	2135
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[s:8]:1):[c:7]>>[N:1]#[C:2]-[S:8].[N+:3](-[c:4](:[c:5]:[c:6]):[c:7])(=[O:9])-[O-:10]	1	2136
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[s:6]:1):[c:7]):[c:8]>>[N+:3](-[c:4](:[c:5]:[c:7]):[c:8])(=[O:9])-[O-:10].[N:1]#[C:2]-[S:6]	1	2137
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]>>[N:1].[c:2]:1:[n+:3](:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10])-[O-:11]	1	2138
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]>>[N:1].[c:2]:1:[n:3]:[c:4](:[c:5]):[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]	1	2139
+[N:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[s:6]:1):[c:7]:[n:8]:[c:9]:[c:10]:2>>[N:1](-[C:2](-[N:3]-[c:4]:1:[c:5]:[c:7]:[n:8]:[c:9]:[c:10]:1)=[S:6])-[C:11](=[O:12])-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2	1	2140
+[N:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6](-[c:7]):[n:8]:1>>[N:1]-[C:2](-[N:3])=[N:8].[C:4](-[N:10](-[C:9])-[C:11])(-[O:13]-[C:14])-[O:15]-[C:16].[C:5]-[C:6](-[c:7])=[O:12]	1	2141
+[N:1]-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1>>[N:1](-[C:2](-[N:9]-[c:8](:[n:4]:[c:5]:[c:6]):[c:7])=[S:15])-[C:13](-[O:12]-[C:11]-[C:10])=[O:14].[N:3]-[O:16]	1	2142
+[N:1]-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1>>[N:1](=[C:2]=[S:15])-[C:13](-[O:12]-[C:11]-[C:10])=[O:14].[n:4](:[c:5]:[c:6]):[c:8](:[c:7])-[N:9].[N:3]-[O:16]	1	2143
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[n:6]:[c:7]:[c:8]:[c:9]:[c:10]:1:2>>[N:3]-[N:4].[N:1]#[C:2]-[c:10]:1:[c:5](:[n:6]:[c:7]:[c:8]:[c:9]:1)-[O:11]	1	2144
+[N:1]=[C:2](-[C:3](-[C:4])=[O:7])-[C:5]=[O:6]>>[C:4]-[Mg+:8].[N:1]=[C:2](-[C:3](=[O:7])-[O:9]-[C:10])-[C:5]=[O:6]	1	2145
+[N:1]=[C:2](-[C:3](-[C:4])=[O:7])-[C:5]=[O:6]>>[C:4]-[Mg+:9].[N:1]=[C:2](-[C:3](=[O:7])-[O:8])-[C:5]=[O:6]	1	2146
+[N:1]=[C:2](-[C:3](=[O:4])-[C:5])-[C:6]=[O:7]>>[N:1]=[C:2](-[C:3](=[O:4])-[O:9])-[C:6]=[O:7].[C:5]-[Mg+:8]	1	2147
+[N:1]=[C:2](-[C:3](=[O:4])-[C:5])-[C:6]=[O:7]>>[N:1]=[C:2](-[C:3](=[O:4])-[O:9]-[C:10])-[C:6]=[O:7].[C:5]-[Mg+:8]	1	2148
+[N:1]=[C:2](-[C:3](=[O:4])-[C:5]=[C:6]-[N:7])-[C:8]=[O:9]>>[N:1]=[C:2](-[C:3](=[O:4])-[N:10](-[O:11]-[C:12])-[C:13])-[C:8]=[O:9].[C:5]-[Mg+:14].[C:6](-[N:7])(-[O:15]-[C:16])-[O:17]-[C:18]	1	2149
+[N:1]=[C:2](-[C:3](=[O:4])-[N:5](-[C:6])-[O:7])-[C:8]=[O:9]>>[N:1]=[C:2](-[C:3](=[O:4])-[O:10]-[C:11])-[C:8]=[O:9].[N:5](-[C:6])-[O:7]	1	2150
+[N:1]=[C:2](-[C:3](=[O:4])-[N:8](-[O:7])-[C:9])-[C:5]=[O:6]>>[N:1]=[C:2](-[C:3](=[O:4])-[O:10]-[C:11])-[C:5]=[O:6].[O:7]-[N:8]-[C:9]	1	2151
+[N:1]=[C:2](-[C:3](=[O:4])-[O:11])-[c:5]:1:[c:6]:[s:7]:[c:8](-[N:9]):[n:10]:1>>[S:7]=[C:8](-[N:9])-[N:10].[N:1]=[C:2](-[C:3](=[O:4])-[O:11])-[C:5](-[C:6])=[O:12]	1	2152
+[N:1]=[C:2](-[C:3](=[O:6])-[N:8](-[O:7])-[C:9])-[C:4]=[O:5]>>[O:7]-[N:8]-[C:9].[N:1]=[C:2](-[C:3](=[O:6])-[O:10]-[C:11])-[C:4]=[O:5]	1	2153
+[N:1]=[C:2](-[C:3])-[N:4]-[O:5]>>[N:1]-[C:2](-[C:3])=[O:6].[N:4]-[O:5]	1	2154
+[N:1]=[C:2](-[N:3](-[C:4])-[C:5])-[S:7]-[C:6]>>[N:1]=[C:2]=[S:7].[C:6]-[I:8].[N:3](-[C:4])-[C:5]	1	2155
+[N:1]=[C:2](-[S:3]-[C:4])-[N:5](-[C:6])-[C:7]>>[N:1]=[C:2]=[S:3].[C:4]-[I:8].[N:5](-[C:6])-[C:7]	1	2156
+[N:1]=[C:2](-[S:3]-[C:4])-[N:5](-[C:6])-[C:7]>>[N:1]=[C:2]=[S:3].[N:5](-[C:6])(-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14].[C:4]-[I:15]	1	2157
+[N:1]=[C:2](-[c:3](:[c:4]:[n:5]):[n:6])-[N:7]-[O:8]>>[N:7]-[O:8].[N:1]-[C:2](-[c:3](:[c:4]:[n:5]):[n:6])=[O:9]	1	2158
+[N:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8])-[C:9]=[O:10]>>[C:4]-[Mg+:11].[C:5](-[O:12]-[C:13])(-[O:14]-[C:15])-[N:16](-[C:17])-[C:19].[N:1]=[C:2](-[C:3](=[O:18])-[O:20]-[C:21])-[C:9]=[O:10].[N:6]-[N:7]-[c:8]	1	2159
+[N:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8])-[C:9]=[O:10]>>[C:4]-[Mg+:11].[C:5](-[O:12]-[C:13])(-[O:14]-[C:15])-[N:16](-[C:17])-[C:20].[N:1]=[C:2](-[C:3](=[O:18])-[O:19])-[C:9]=[O:10].[N:6]-[N:7]-[c:8]	1	2160
+[N:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8])-[C:9]=[O:10]>>[C:4]-[Mg+:19].[C:5](-[O:11]-[C:12])(-[O:13]-[C:14])-[N:15](-[C:16])-[C:17].[N:1]=[C:2](-[C:3](=[O:18])-[N:20](-[O:21]-[C:22])-[C:23])-[C:9]=[O:10].[N:6]-[N:7]-[c:8]	1	2161
+[N:1]=[C:2]-1-[N:3]-[C:4]-[C:5]-[O:6]-1>>[N:3]-1(-[C:4]-[C:5]-[O:6]-[C:8]-1(-[C:9])-[C:10])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[N:1]#[C:2]-[Br:7]	1	2162
+[N:1]=[C:2]-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[N:9]>>[N:1]=[C:2]-[C:3](=[O:4])-[O:10]-[C:11]-[C:12].[N:5]-[C:6]-[C:7](=[O:8])-[N:9]	2	2163,2164
+[N:1]=[C:2]-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[N:9]>>[N:1]=[C:2]-[C:3](=[O:4])-[O:10].[N:5](-[C:6]-[C:7](=[O:8])-[N:9])-[C:11](=[O:12])-[C:13]-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1	2	2165,2166
+[O:1](-[C:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[Si:9](-[C:8])(-[C:10])-[C:11]>>[O:1]=[C:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[O:12]-[C:13]-[C:14].[C:8]-[Si:9](-[C:10])(-[C:11])-[Cl:15]	1	2167
+[O:1]-[B:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[O:1]-1-[B:2](-[O:3]-[C:10](-[C:8]-1(-[C:7])-[C:9])(-[C:11])-[C:12])-[B:13]-2-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18](-[O:19]-2)(-[C:20])-[C:21].[c:4](:[c:5])(:[c:6])-[Br:22]	1	2168
+[O:1]-[B:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[O:1]-[B:2](-[O:3]-[C:7])-[O:8]-[C:9].[c:4](:[c:5])(:[c:6])-[Br:10]	1	2169
+[O:1]-[B:2](-[c:3](:[c:4]):[c:5])-[O:6]>>[O:1]-[B:2](-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15].[c:3](:[c:4])(:[c:5])-[O:16]	1	2170
+[O:1]-[B:2](-[c:3](:[c:4]):[c:5])-[O:6]>>[O:1]-[B:2](-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15].[c:3](:[c:4]):[c:5]	1	2171
+[O:1]-[B:2](-[c:3](:[c:4]):[c:5])-[O:6]>>[c:3](:[c:4]):[c:5].[O:1]-[B:2](-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15]	1	2172
+[O:1]-[C:2](-[C:3](=[O:4])-[O:5]-[C:6])-[C:7](-[O:8])-[c:9]>>[O:5]-[C:6].[C:7](=[O:8])-[c:9].[O:1]-[C:2]-[C:3](=[O:4])-[N:22]-1-[C:11](=[O:10])-[O:12]-[C:13]-[C:14]-1-[C:15]-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	1	2173
+[O:1]-[C:2](-[C:3])-[C:4]>>[O:1]-1-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6]-[C:7]-1	3	2174,2175,2176
+[O:1]-[C:2](-[C:3]-[N:4](-[C:5])-[C:6])-[C:7]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2](-[C:3]-[Br:8])-[C:7]	1	2177
+[O:1]-[C:2](-[C:3]-[N:4](-[C:5])-[C:6])=[C:7]-[C:8]>>[N:4](-[C:5])-[C:6].[O:1]-[C:2](-[C:3]-[O:9])=[C:7]-[C:8]	1	2178
+[O:1]-[C:2](-[C:3]-[O:4]-[c:5])-[c:6]>>[O:4]-[c:5].[O:1]=[C:2](-[C:3]-[Br:7])-[c:6]	1	2179
+[O:1]-[C:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[O:1]=[C:2](-[C:6])-[N:7](-[O:8]-[C:9])-[C:10].[c:3](:[c:4])(:[c:5])-[Br:11]	1	2180
+[O:1]-[C:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[O:1]=[C:2](-[C:6])-[O:8].[c:3](:[c:4])(:[c:5])-[Br:7]	1	2181
+[O:1]-[C:2](-[c:3](:[c:4]):[c:5])-[c:6](:[c:7]):[n:8]>>[O:1]-[C:2]-[c:6](:[c:7]):[n:8].[c:3](:[c:4])(:[c:5])-[Mg:9]-[Br:10]	1	2182
+[O:1]-[C:2](-[c:3](:[c:4]):[c:5])-[c:6](:[c:7]):[n:8]>>[O:1]=[C:2](-[c:6](:[c:7]):[n:8])-[O:9]-[C:10]-[C:11].[c:3](:[c:4])(:[c:5])-[Mg:12]-[Br:13]	1	2183
+[O:1]-[C:2](-[c:3])-[C:4](-[F:5])(-[F:6])-[F:7]>>[C:4](-[F:5])(-[F:6])(-[F:7])-[Si:10](-[C:11])(-[C:12])-[C:13].[O:1]=[C:2](-[c:3])-[O:8]-[C:9]	1	2184
+[O:1]-[C:2](-[c:3])-[C:4](-[F:5])(-[F:6])-[F:7]>>[C:4](-[F:5])(-[F:6])(-[F:7])-[Si:8](-[C:9])(-[C:10])-[C:11].[O:1]-[C:2]-[c:3]	1	2185
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:7])-[C:8](=[O:9])-[c:10]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:7].[C:8](=[O:9])(-[c:10])-[O:11]	1	2186
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])(-[C:6])-[O:7]-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5])(-[C:6])-[Br:9].[O:7](-[c:8])-[C:10]	2	2187,2188
+[O:1]-[C:2](=[O:3])-[C:4](-[Cl:5])-[C:6]-[c:7](:[c:8]):[c:9]>>[c:7](:[c:8])(:[c:9])-[N+:10](=[O:11])-[O-:12].[O:1]-[C:2](=[O:3])-[C:4]=[C:6].[Cl:5]	1	2189
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5]-[c:6])-[C:7]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:7])-[Br:8].[O:5](-[c:6])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	2190
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[N:6]-[C:7])-[C:8]=[O:9]>>[N:6]-[C:7].[O:1]-[C:2](=[O:3])-[C:4]-[C:8]=[O:9].[C:5](-[O:12]-[C:11]-[C:10])(-[O:13]-[C:14]-[C:15])-[O:16]-[C:17]-[C:18]	1	2191
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6])-[C:7]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:7])-[P:8](-[O:9]-[C:10]-[C:11])(=[O:12])-[O:13]-[C:14]-[C:15].[C:5](-[c:6])(=[O:16])-[O:17]-[C:18]	1	2192
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])-[C:7]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:8](-[O:9]-[C:10])(=[O:11])-[O:12]-[C:13].[C:5](-[C:6])(-[C:7])=[O:14]	1	2193
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])(-[O:15])=[O:16]	1	2194
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])-[O:15]	1	2195
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])=[O:15]	1	2196
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]>>[C:4](-[C:5])-[Br:7].[C:2]#[N:6].[O:1].[O:3]	1	2197
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:9]-[C:10].[O:1]-[C:2](=[O:3])-[C:4]-[N:5]	1	2198
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:9].[O:1]-[C:2](=[O:3])-[C:4]-[N:5]	1	2199
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[C:8])-[O:9]	1	2200
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[C:8])-[O:9]-[C:10]-[C:11]	1	2201
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[C:6](=[O:7])(-[c:8])-[O:9]-[C:10].[O:1]-[C:2](=[O:3])-[C:4]-[N:5]	2	2202,2203
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8])-[O:9]-[C:10]	1	2204
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:7].[N+:5](-[c:6])(=[O:8])-[O-:9]	1	2205
+[O:1]-[C:2](=[O:3])-[C:4]-[O:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:7].[O:5](-[c:6])-[C:8]	2	2206,2207
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]:[c:7]:[n:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:9](-[O:10]-[C:11]-[C:12])(=[O:13])-[O:14]-[C:15]-[C:16].[C:5](-[c:6]:[c:7]:[n:8])(=[O:17])-[O:18]-[C:19]	1	2208
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]:[c:7]:[n:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:9](-[O:10]-[C:11]-[C:12])(=[O:13])-[O:14]-[C:15]-[C:16].[C:5](-[c:6]:[c:7]:[n:8])-[O:17]	1	2209
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])(-[O:15])=[O:16]	1	2210
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:7](-[O:8]-[C:9]-[C:10])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[c:6])-[O:15]	1	2211
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:17](-[O:18]-[C:19](-[C:20])(-[C:21])-[C:22])=[O:23].[O:1]-[C:2](=[O:3])-[O:7]-[c:8]:1:[c:9]:[c:10]:[c:11](-[N+:12](=[O:13])-[O-:14]):[c:15]:[c:16]:1	1	2212
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[O:1]-[C:2](=[O:3])-[Cl:7]	1	2213
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[O:1]-[C:2](=[O:3])-[Cl:7].[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	4	2214,2215,2216,2217
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[O:1]-[C:2](=[O:3])-[Cl:7].[N:4](-[C:5])(-[C:6])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	2218
+[O:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]>>[N:4]#[C:5]-[C:6].[O:1]-[C:2](=[O:3])-[Cl:7]	1	2219
+[O:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]>>[O:1]-[C:2](=[O:3])-[Cl:7].[N:4]#[C:5]-[C:6]	1	2220
+[O:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N:4](-[C:5])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	2	2221,2222
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[c:7]>>[O:1]-[C:2](=[O:3])-[Cl:8].[N+:4](=[O:9])(-[O-:10])-[O:11].[c:5](:[c:6]):[c:7]	2	2223,2224
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:7])-[O-:8].[O:1]-[C:2](=[O:3])-[Cl:6]	2	2225,2226
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	5	2227,2228,2229,2230,2231
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:7]:[c:8](:[c:9]):[n:12]:1:[c:11]:[c:10]>>[N+:7](-[c:8](:[c:9]):[n:12]:[c:11]:[c:10])(=[O:15])-[O-:16].[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[C:6])=[O:13])-[Cl:14]	1	2232
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[Cl:6]):[c:7](:[c:8]):[c:10](:[c:9]):[n:11]:[c:12]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:17])-[O:18]-[C:19]-[C:20])=[C:12]-[O:21]-[C:22]-[C:23].[Cl:6]-[P:14](-[Cl:13])(=[O:15])-[Cl:16].[c:7](:[c:8]):[c:10](:[c:9])-[N:11]	1	2233
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7](-[C:8]):[s:10]:1)-[C:9]>>[C:6](-[C:7](-[C:8])=[O:12])-[C:9].[O:1]-[C:2](=[O:3])-[C:4]-[S:10].[C:5](=[O:11])-[N:13](-[C:14])-[C:15]	1	2234
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:1>>[O:1]-[C:2](=[O:3])-[C:4](=[O:11])-[O:14]-[C:15]-[C:16].[C:5]-[c:6](:[c:7]):[c:9](:[c:8])-[N+:10](=[O:12])-[O-:13]	1	2235
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[n:6](-[C:7]):[c:8](-[c:9]):[c:10]:1>>[N:5]-[N:6]-[C:7].[O:1]-[C:2](=[O:3])-[C:4](=[O:11])-[O:13]-[C:14]-[C:15].[C:8](-[c:9])(-[C:10])=[O:12]	1	2236
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[o:6]:[c:7](-[C:8]):[c:9]:1>>[C:7](-[C:8])(-[C:9])=[O:11].[O:1]-[C:2](=[O:3])-[C:4](=[O:10])-[O:12]-[C:13]-[C:14].[N:5]-[O:6]	1	2237
+[O:1]-[C:2]-1-[C:3](=[O:4])-[N:5](-[C:6]-[C:7](=[O:8])-[N:9])-[C:11]-1(-[c:10])-[c:12]>>[O:1]-[C:2]-[C:3](=[O:4])-[O:13]-[C:14]-[C:15].[N:5](-[C:6]-[C:7](=[O:8])-[N:9])=[C:11](-[c:10])-[c:12]	1	2238
+[O:1]-[C:2]-1=[C:3](-[c:4])-[C:5](=[O:6])-[N:7]-[C:8]-1>>[O:1]=[C:2](-[C:8]-[N:7])-[O:10]-[C:9].[C:3](-[c:4])-[C:5](=[O:6])-[Cl:11]	1	2239
+[O:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6](-[C:7](-[C:8])-[C:9](=[O:10])-[O:13])-[N:11]=[C:12]-1>>[C:7](-[C:8])(-[C:9](=[O:10])-[O:13])-[Br:14].[O:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[N:6](-[N:11]=[C:12]-1)-[C:16]-2-[C:17]-[C:18]-[C:19]-[C:20]-[O:21]-2)-[Cl:15]	1	2240
+[O:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6](-[C:7](-[C:8])-[C:9](=[O:10])-[O:13])-[N:11]=[C:12]-1>>[C:7](-[C:8])(-[C:9](=[O:10])-[O:13])-[Br:15].[O:1]-[c:2]:1:[c:3](:[c:4](-[O:5]):[n:6]:[n:11]:[c:12]:1)-[Cl:14]	1	2241
+[O:1]-[C:2]-[C:3](-[F:4])(-[F:5])-[c:6](:[n:7]:[c:8]:[c:9]):[c:10]>>[O:1]=[C:2](-[C:3](-[F:4])(-[F:5])-[Br:14])-[O:13]-[C:12]-[C:11].[c:6](:[n:7]:[c:8]:[c:9])(:[c:10])-[Br:15]	1	2242
+[O:1]-[C:2]-[C:3]-[C:4]-[C:5]>>[O:1]=[C:2](-[C:3]=[C:4]-[C:5])-[O:8]-[C:7]-[C:6]	1	2243
+[O:1]-[C:2]-[C:3]-[C:4]-[c:5]>>[O:1]=[C:2](-[C:3]=[C:4]-[c:5])-[O:8]-[C:7]-[C:6]	1	2244
+[O:1]-[C:2]-[C:3]-[O:4]-[C:5]>>[O:1]-[C:2](-[C:3]-[Cl:7])=[O:6].[O:4]-[C:5]	1	2245
+[O:1]-[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])=[O:25].[O:1]-[O:5].[C:2]-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	1	2246
+[O:1]-[C:2]-[C:3]>>[O:1](-[C:2](-[C:3])=[O:5])-[C:4]	2	2247,2248
+[O:1]-[C:2]-[C:3]>>[O:1](-[C:2](-[C:3])=[O:6])-[C:5]-[C:4]	1	2249
+[O:1]-[C:2]-[C:3]>>[O:1]-[C:2](-[C:3])-[C:4]-[O:5]	1	2250
+[O:1]-[C:2]-[C:3]>>[O:1]-[C:4]-[C:5].[C:2](-[C:3])#[N:6]	1	2251
+[O:1]-[C:2]-[C:3]>>[O:1]=[C:2](-[C:3])-[O:4]	1	2252
+[O:1]-[C:2]-[C:3]>>[O:1]=[C:2](-[C:3])-[O:4]-[C:5]-[C:6]	1	2253
+[O:1]-[C:2]-[O:3]-[C:4]-[c:5]>>[O:1]-[C:2]-[Cl:6].[O:3]=[C:4]-[c:5]	1	2254
+[O:1]-[C:2]-[O:3]-[c:4]>>[O:1]-[C:2]-[Cl:5].[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	2255
+[O:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[O:1]=[C:2](-[c:3](:[n:4]):[c:5])-[O:6]	1	2256
+[O:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[O:1]=[Se:6]=[O:7].[C:2]-[c:3](:[n:4]):[c:5]	1	2257
+[O:1]-[C:2]-[c:3]:1:[n:4]:[c:5](-[c:6]):[n:7]:[s:8]:1>>[O:1]=[C:2](-[C:3]#[N:4])-[O:11]-[C:10]-[C:9].[C:5]-1(-[c:6])=[N:7]-[S:8]-[C:12](=[O:13])-[O:14]-1	1	2258
+[O:1]-[C:2]-[c:3]:1:[n:4]:[c:5](-[c:6]):[n:7]:[s:8]:1>>[S:8](-[C:13](=[O:12])-[Cl:15])-[Cl:16].[O:1]=[C:2](-[C:3]#[N:4])-[O:11]-[C:10]-[C:9].[C:5](-[c:6])(-[N:7])=[O:14]	1	2259
+[O:1]-[C:2]-[c:3]:1:[n:4]:[o:5]:[c:6](-[c:7]):[c:8]:1>>[O:1]=[C:2](-[C:3](-[C:8]-[C:6](-[c:7])=[O:12])=[O:13])-[O:11]-[C:10]-[C:9].[N:4]-[O:5]	1	2260
+[O:1]-[C:2]-[c:3]:1:[n:4]:[o:5]:[c:6](-[c:7]):[c:8]:1>>[O:1]=[C:2](-[C:3](=[O:12])-[O:14]-[C:15]-[C:16])-[O:11]-[C:10]-[C:9].[C:6](-[c:7])(-[C:8])=[O:13].[N:4]-[O:5]	1	2261
+[O:1]-[C:2]-[c:3]>>[O:1](-[C:2](-[c:3])=[O:4])-[C:5]-[C:6]	1	2262
+[O:1]-[C:2]-[c:3]>>[O:1](-[C:2](-[c:3])=[O:5])-[C:4]	3	2263,2264,2265
+[O:1]-[C:2]-[c:3]>>[O:1]-1-[C:2](-[c:3])-[O:4]-[C:5]-[C:6]-1	1	2266
+[O:1]-[C:2]-[c:3]>>[O:1].[C:2]-[c:3]	1	2267
+[O:1]-[C:2]-[c:3]>>[O:1]=[C:2](-[c:3])-[O:4]	2	2268,2269
+[O:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]-[C:7](=[O:8])-[C:9](=[O:10])-[N:11]-[S:12]>>[C:4](=[O:5])(-[C:6]=[C:7]-1-[O:8]-[C:14](-[C:13])(-[C:15])-[O:16]-[C:9]-1=[O:10])-[Cl:17].[N:11]-[S:12].[O:1]-[N:2]-[C:3]	1	2270
+[O:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[O:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6])-[O:7]-[C:8]-[C:9]	1	2271
+[O:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[n:7]):[c:8]>>[C:4](=[O:5])(-[c:6](:[n:7]):[c:8])-[O:9]-[C:10]-[C:11].[O:1]-[N:2]-[C:3]	1	2272
+[O:1]-[N:2](-[C:3]-[c:4])-[C:5](=[O:6])-[C:7]=[C:8](-[O:9])-[C:10]>>[C:5](=[O:6])(-[C:7]=[C:8](-[O:9])-[C:10])-[Cl:11].[O:1]-[N:2]=[C:3]-[c:4]	1	2273
+[O:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[O:1]-[N:2].[C:3](-[C:4])(-[C:5])=[O:6]	1	2274
+[O:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[O:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8]	1	2275
+[O:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[O:1]-[N:2].[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9]	1	2276
+[O:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[O:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]-[C:7]	1	2277
+[O:1]-[N:2]-[C:3]-[C:4]>>[O:1]-[N:2].[C:3](-[C:4])=[O:5]	1	2278
+[O:1]-[N:2]-[C:3]-[c:4]>>[O:1]-[N:2].[C:3](-[c:4])=[O:5]	1	2279
+[O:1]-[N:2]=[C:3](-[C:4])-[c:7](:[c:5]):[c:6]>>[C:3](-[C:4])(=[O:8])-[O:9].[c:5]:[c:7]:[c:6].[O:1]-[N:2]	1	2280
+[O:1]-[N:2]=[C:3](-[C:4]-[Br:5])-[c:6](:[n:7]):[c:8]>>[Br:5].[O:1]-[N:2].[C:3](-[C:4])(-[c:6](:[n:7]):[c:8])=[O:9]	1	2281
+[O:1]-[N:2]=[C:3](-[c:4])-[Cl:6]>>[C:3](-[c:4])=[O:5].[Cl:6]-[N:7]-1-[C:8](=[O:9])-[C:10]-[C:11]-[C:12]-1=[O:13].[O:1]-[N:2]	1	2282
+[O:1]-[N:2]=[C:3]-[C:4]>>[O:1]-[N:2].[C:3](-[C:4])(=[O:5])-[N:6](-[O:7]-[C:8])-[C:9]	1	2283
+[O:1]-[N:2]=[C:3]-[C:4]>>[O:1]-[N:2].[C:3](-[C:4])-[O:5]	2	2284,2285
+[O:1]-[N:2]=[C:3]-[c:4]>>[O:1]-[N:2].[C:3](-[c:4])-[O:5]	1	2286
+[O:1]-[c:2](:[c:3]):[c:4]>>[O:1]-[C:5].[c:2](:[c:3])(:[c:4])-[F:6]	1	2287
+[O:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[N+:5](=[O:6])-[O-:7].[O:1]	1	2288
+[O:1]-[c:2](:[c:3]):[n:6]:[c:5]:[c:4]>>[O:1]=[C:8](-[O:9]-[C:10](-[C:11])=[O:12])-[C:13].[c:2](:[c:3]):[n+:6](:[c:5]:[c:4])-[O-:7]	1	2289
+[O:1]-[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[O:1]-[C:7].[c:2](:[n:3]:[c:4]:[c:5])(:[c:6])-[Cl:8]	1	2290
+[O:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[n:6]:[n:7]:[c:8]:1>>[O:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[N:6](-[N:7]=[C:8]-1)-[C:10]-2-[C:11]-[C:12]-[C:13]-[C:14]-[O:15]-2)-[Cl:9]	1	2291
+[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:2:[c:7]:1:[c:8]:[c:10](:[c:9]):[n:11]:2-[C:12]-[c:13]>>[C:12](-[c:13])-[Br:14].[O:1]=[C:2]-1-[C:3]-[C:4]-[C:5]-[c:6]:2:[c:7]-1:[c:8]:[c:10](:[c:9]):[n:11]:2	1	2292
+[O:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[c:10]:1-[c:11]>>[O:1]=[C:2](-[C:10]-[c:11])-[Cl:14].[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[O:13]-[C:12]	1	2293
+[O:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[c:10]:1-[c:11]>>[O:1]=[C:2](-[C:10]-[c:11])-[O:14].[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[O:13]-[C:12]	1	2294
+[O:1]-[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6]:2:[c:7]:1:[n:8]:[c:9]:[c:10]:[c:11]:2>>[C:4](-[O:14]-[C:15]-[C:16])(-[O:17]-[C:18]-[C:19])-[O:20]-[C:21]-[C:22].[O:1]=[C:2](-[N:3])-[c:7]:1:[c:6](-[N+:5](=[O:12])-[O-:13]):[c:11]:[c:10]:[c:9]:[n:8]:1	1	2295
+[O:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[n:9]:[c:10]:1:2>>[O:1]-[N:2].[C:3](-[N:4]-[c:5]:1:[c:6]:[n:7]:[c:8]:[n:9]:[c:10]:1-[Cl:12])=[O:11]	1	2296
+[O:1]=[C:2](-[C:3](-[c:4](:[c:5]):[c:6])-[c:7])-[N:8]>>[c:4](:[c:5]):[c:6].[O:1]=[C:2](-[C:3](-[c:7])=[O:9])-[N:8]	1	2297
+[O:1]=[C:2](-[C:3])-[C:4]>>[O:1](-[C:2](-[C:3])-[C:4])-[Si:5](-[C:6](-[C:7])(-[C:8])-[C:9])(-[C:10])-[C:11]	1	2298
+[O:1]=[C:2](-[C:3])-[Cl:4]>>[Cl:4]-[S:5](-[Cl:9])=[O:10].[O:1]=[C:2](-[C:3])-[O:6]-[C:7]-[C:8]	1	2299
+[O:1]=[C:2](-[C:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[O:1]=[C:2](-[C:3])-[O:8]-[C:9]	1	2300
+[O:1]=[C:2](-[C:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[O:1]=[C:2](-[C:3])-[O:8]-[C:9]-[C:10]	1	2301
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[O:1]=[C:2](-[C:3])-[Cl:7]	1	2302
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[O:1]=[C:2](-[C:3])-[Cl:7]	1	2303
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2](-[C:3])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]	1	2304
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2](-[C:3])-[O:7]-[C:8]-[C:9]	1	2305
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[O:1]=[C:2](-[C:3])-[Cl:7].[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	2	2306,2307
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[O:1]=[C:2](-[C:3])-[O:7]-[C:8]-[C:9].[N:4](-[C:5])-[C:6]	1	2308
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[O:1]=[C:2](-[C:3])-[O:7]-[C:8].[N:4](-[C:5])-[C:6]	1	2309
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[O:1]=[C:2](-[C:3])-[O:7].[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	2310
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:7]-[C:6]>>[O:1]=[C:2](-[C:3])-[O:8].[N:4](-[C:5])-[C:7](-[C:6])=[O:9]	1	2311
+[O:1]=[C:2](-[C:3])-[N:4]-[C:5]>>[N:4]-1(-[C:5])-[C:7](=[O:8])-[c:9]:2:[c:10](-[C:11]-1=[O:12]):[c:13]:[c:14]:[c:15]:[c:16]:2.[O:1]=[C:2](-[C:3])-[O:6]	1	2312
+[O:1]=[C:2](-[C:3])-[N:4]-[C:5]>>[O:1]=[C:2](-[C:3])-[Cl:6].[N:4](-[C:5])=[N+:7]=[N-:8]	1	2313
+[O:1]=[C:2](-[C:3])-[N:4]-[C:5]>>[O:1]=[C:2](-[C:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[C:5]	1	2314
+[O:1]=[C:2](-[C:3])-[N:4]-[C:5]>>[O:1]=[C:2](-[C:3])-[O:6]-[C:7]-[C:8].[N:4]-[C:5]	1	2315
+[O:1]=[C:2](-[C:3])-[N:4]-[N:5]=[C:6]-1-[C:7](=[O:8])-[N:9]-[c:10]:[c:12]-1:[c:11]>>[O:1]=[C:2](-[C:3])-[N:4]-[N:5].[C:6](-[C:7](=[O:8])-[N:9]-[c:10]:[c:12]:[c:11])=[N:14]-[O:13]	1	2316
+[O:1]=[C:2](-[C:3])-[N:4]-[O:5]>>[N:4]-[O:5].[O:1]=[C:2](-[C:3])-[O:6]-[C:7]-[C:8]	1	2317
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+[O:1]=[C:2](-[O:3])-[C:4]-[C:5]-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1>>[O:1]=[C:2](-[O:3])-[C:4]-[C:11](-[O:12]-[C:13]-[C:14])=[O:15].[C:5](-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1)-[O:16]	1	2436
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+[O:1]=[C:2](-[c:3](:[c:4]):[n:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])(-[C:8])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[O:1]=[C:2](-[c:3](:[c:4]):[n:5])-[O:9]	1	2450
+[O:1]=[C:2](-[c:3])-[C:4](-[F:5])(-[F:6])-[F:7]>>[O:1]=[C:2]-[c:3].[C:4](-[F:5])(-[F:6])(-[F:7])-[Si:8](-[C:9])(-[C:10])-[C:11]	1	2451
+[O:1]=[C:2](-[c:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[O:1]=[C:2](-[c:3])-[Cl:7]	3	2452,2453,2454
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+[O:1]=[C:2]-[c:3](:[c:4]:[s:5]):[n:6]>>[O:1]=[C:2](-[c:3](:[c:4]:[s:5]):[n:6])-[O:7]-[C:8]-[C:9]	1	2493
+[O:1]=[C:2]-[c:3](:[n:4]):[c:5]>>[O:1]=[C:2](-[c:3](:[n:4]):[c:5])-[O:6]-[C:7]-[C:8]	2	2494,2495
+[O:1]=[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:2](=[C:12])-[Sn:13](-[C:14]-[C:15]-[C:16]-[C:17])(-[C:18]-[C:19]-[C:20]-[C:21])-[C:22]-[C:23]-[C:24]-[C:25].[O:1]=[Os:8](=[O:9])(=[O:10])=[O:11].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:26]	1	2496
+[O:1]=[C:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:13]:1:[c:12]:[c:8](:[c:7])-[c:9](:[c:10]):[c:11]>>[c:9](:[c:10])(:[c:11])-[Br:17].[O:1]=[C:2]-[N:14](-[C:15])-[C:16].[c:3]:1:[c:4]:[n:5]:[c:6]:[c:13]:1:[c:12]:[c:8](:[c:7])-[Br:18]	1	2497
+[O:1]=[C:2]-[c:3]:[c:4]:[n:5]>>[O:1](-[C:2]-[c:3]:[c:4]:[n:5])-[C:6](-[C:7])=[O:8]	1	2498
+[O:1]=[C:2]-[c:3]:[c:5]:[n:4]>>[O:1]=[C:2](-[c:3]:[c:5]:[n:4])-[O:6]-[C:7]-[C:8]	1	2499
+[O:1]=[C:2]-[c:3]>>[O:1]-[C:2](-[c:3])=[O:4]	1	2500
+[O:1]=[C:2]-[c:3]>>[O:1]=[C:2](-[c:3])-[O:4]	3	2501,2502,2503
+[O:1]=[C:2]-[c:3]>>[O:1]=[C:2](-[c:3])-[O:4]-[C:5]	1	2504
+[O:1]=[C:2]=[N:3]-[c:4]>>[O:1]=[C:2](-[Cl:5])-[Cl:6].[N+:3](-[c:4])(=[O:7])-[O-:8]	1	2505
+[O:1]=[C:2]=[N:3]-[c:4]>>[O:1]=[C:2](-[O:5]-[C:6](-[Cl:7])(-[Cl:8])-[Cl:9])-[Cl:10].[N+:3](-[c:4])(=[O:11])-[O-:12]	1	2506
+[O:1]=[S:2](-[C:3])-[C:4]-[C:5]>>[C:4](-[C:5])-[O:16]-[S:17](-[C:18])(=[O:19])=[O:20].[O:1]-[O:6]-[C:7](=[O:8])-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13](-[Cl:14]):[c:15]:1.[S:2]-[C:3]	1	2507
+[O:1]=[S:2](-[C:3]-[c:4](:[n:5]):[c:6])-[c:7]:1:[n:8]:[c:9](:[c:10](:[c:11]):[n:13]:1):[c:12]>>[C:3](-[c:4](:[n:5]):[c:6])-[Cl:24].[O:1]-[O:14]-[C:15](=[O:16])-[c:17]:1:[c:18]:[c:19]:[c:20]:[c:21](-[Cl:22]):[c:23]:1.[S:2]=[C:7]-1-[N:8]-[c:9](:[c:10](:[c:11])-[N:13]-1):[c:12]	1	2508
+[O:1]=[S:2](=[O:3])(-[N:4]-[C:5]-[c:6])-[C:7]>>[O:1]=[S:2](=[O:3])(-[C:7])-[Cl:8].[N:4]#[C:5]-[c:6]	1	2509
+[O:1]=[S:2](=[O:3])(-[N:4]-[c:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[O:1]=[S:2](=[O:3])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:10]-[S:11](=[O:12])(=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[N+:4](-[c:5])(=[O:18])-[O-:19]	1	2510
+[O:1]=[S:2](=[O:3])(-[N:4]-[c:5])-[c:6]>>[O:1]=[S:2](=[O:3])(-[c:6])-[Cl:7].[N+:4](-[c:5])(=[O:8])-[O-:9]	1	2511
+[O:1]=[S:2](=[O:3])(-[N:4]-[c:5]:[c:6]:[n:7])-[c:8]>>[O:1]=[S:2](=[O:3])(-[c:8])-[Cl:9].[N+:4](-[c:5]:[c:6]:[n:7])(=[O:10])-[O-:11]	2	2512,2513
+[O:1]=[S:2](=[O:3])(-[N:4]-[c:5]:[c:7]:[n:6])-[c:8]>>[N+:4](-[c:5]:[c:7]:[n:6])(=[O:10])-[O-:11].[O:1]=[S:2](=[O:3])(-[c:8])-[Cl:9]	1	2514
+[O:1]=[S:2](=[O:3])(-[O:4]-[c:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[O:4](-[c:5])-[C:18].[O:1]=[S:2](=[O:3])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:10]-[S:11](=[O:12])(=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17]	1	2515
+[O:1]=[S:2](=[O:3])(-[c:4](:[c:5]):[c:6])-[N:7](-[C:8])-[C:9]>>[N:7](-[C:8])-[C:9].[O:1]=[S:2](=[O:3])(-[Cl:10])-[O:11].[c:4](:[c:5]):[c:6]	1	2516
+[O:1]=[S:2](=[O:3])(-[c:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[O:1]=[S:2](=[O:3])(-[c:4])-[Cl:8]	1	2517
+[O:1]=[S:2](=[O:3])(-[c:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[O:1]=[S:2](=[O:3])(-[c:4])-[Cl:8]	1	2518
+[S:1]-[C:2](=[O:3])-[O:4]-[c:5]:1:[c:6](-[C:7](=[O:8])-[c:9]):[c:10]:[n:11]:[n:12]:1-[C:13]>>[S:1]-[C:2](=[O:3])-[Cl:14].[O:4]=[C:5]-1-[C:6]-[C:10]=[N:11]-[N:12]-1-[C:13].[C:7](=[O:8])(-[c:9])-[O:15]	1	2519
+[S:1]-[C:2](=[O:3])-[O:4]-[c:5]:1:[c:6](-[C:7](=[O:8])-[c:9]):[c:10]:[n:11]:[n:12]:1-[C:13]>>[S:1]-[C:2](=[O:3])-[Cl:14].[O:4]=[C:5]-1-[C:6]-[C:10]=[N:11]-[N:12]-1-[C:13].[C:7](=[O:8])(-[c:9])-[O:15]-[C:16]	1	2520
+[S:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6]-[C:7].[S:1]-[N:2]	2	2521,2522
+[S:1]-[c:2]:1:[c:3](-[C:4]):[n:5](-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2):[c:11](:[c:12]):[c:14]:1:[c:13]>>[S:1]-[C:2]-[C:3](-[C:4])=[O:15].[c:6]:1(:[c:7]:[n:8]:[n:9]:[c:10]:1)-[Br:17].[N:5](-[c:11](:[c:12]):[c:14]:[c:13])-[N:16]	1	2523
+[S:1]=[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)-[N:8]>>[N:8].[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)(=[O:9])-[O:31].[S:1]=[P:10]-1(-[S:11]-[P:12](-[c:13]:2:[c:14]:[c:15]:[c:16](-[O:17]-[C:18]):[c:19]:[c:20]:2)(=[S:21])-[S:22]-1)-[c:23]:3:[c:24]:[c:25]:[c:26](-[O:27]-[C:28]):[c:29]:[c:30]:3	1	2524
+[S:1]=[C:2]=[N:3]-[c:4]>>[N+:3](-[c:4])(=[O:15])-[O-:16].[S:1]=[C:2](-[n:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1)-[n:10]:2:[c:11]:[n:12]:[c:13]:[c:14]:2	1	2525
+[c:1](-[C:2]#[N:3]):[c:4]:[n:5]>>[N:3]-[O:6].[c:1](-[C:2]=[O:7]):[c:4]:[n:5]	1	2526
+[c:1](-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]):[c:7]:[n:8]>>[N:4](-[C:5])-[C:6].[c:1](-[C:2](=[O:3])-[O:9]-[C:10]):[c:7]:[n:8]	2	2527,2528
+[c:1](-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]):[c:7]:[n:8]>>[N:4](-[C:5])-[C:6].[c:1](-[C:2](=[O:3])-[O:9]-[C:10]-[C:11]):[c:7]:[n:8]	1	2529
+[c:1](-[C:2](=[O:3])-[N:4]-[C:5]):[c:6]:[n:7]>>[c:1](-[C:2](=[O:3])-[O:8]-[C:9]-[C:10]):[c:6]:[n:7].[N:4]-[C:5]	2	2530,2531
+[c:1](-[C:2](=[O:3])-[N:4]-[c:5]):[c:6]:[n:7]>>[c:1](-[C:2](=[O:3])-[O:8]-[C:9]-[C:10]):[c:6]:[n:7].[N:4]-[c:5]	1	2532
+[c:1](-[C:2]-[C:3]#[N:4]):[c:5]:[n:6]>>[c:1](-[C:2]):[c:5]:[n:6].[C:3]#[N:4]	1	2533
+[c:1](-[C:2]-[Cl:3]):[c:4]:[n:5]>>[Cl:3]-[S:6](=[O:7])-[Cl:8].[c:1](-[C:2](=[O:9])-[O:10]-[C:11]-[C:12]):[c:4]:[n:5]	2	2534,2535
+[c:1](-[C:2]-[Cl:5]):[c:3]:[n:4]>>[Cl:5]-[S:6](=[O:7])-[Cl:8].[c:1](-[C:2]=[O:9]):[c:3]:[n:4]	1	2536
+[c:1](-[C:2]-[N:3](-[C:4])-[C:5]):[c:6]:[n:7]>>[N:3](-[C:4])-[C:5].[c:1](-[C:2]):[c:6]:[n:7]	1	2537
+[c:1](-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]):[c:7]:[n:8]>>[C:4](=[O:5])(-[c:6])-[O:9].[c:1](-[C:2]#[N:3]):[c:7]:[n:8]	1	2538
+[c:1](-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]):[c:7]:[n:8]>>[c:1](-[C:2]#[N:3]):[c:7]:[n:8].[C:4](=[O:5])(-[c:6])-[O:9]	1	2539
+[c:1](-[C:2]-[O:3]):[c:4]:[n:5]>>[c:1](-[C:2](-[O:3]-[C:7])=[O:6]):[c:4]:[n:5]	1	2540
+[c:1](-[C:2]-[O:3]-[c:4]):[c:5]:[n:6]>>[c:1](-[C:2]-[O:7]):[c:5]:[n:6].[O:3]-[c:4]	1	2541
+[c:1](-[C:2]-[O:5]):[c:3]:[n:4]>>[c:1](-[C:2](-[O:5]-[C:7])=[O:6]):[c:3]:[n:4]	1	2542
+[c:1](-[C:2]=[O:3]):[c:4]:[n:5]>>[c:1](-[C:2](=[O:3])-[O:6]-[C:7]):[c:4]:[n:5]	1	2543
+[c:1](-[N:2]-1-[C:3]-[C:4]-[N:5]-[C:6]-1=[O:7]):[c:8]:[n:9]>>[C:3](-[C:4]-[N:5]=[C:6]=[O:7])-[Cl:10].[c:1](-[N:2]):[c:8]:[n:9]	1	2544
+[c:1](-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:8]:[n:7]):[c:9]:[n:10]>>[c:1](-[N+:2](=[O:11])-[O-:12]):[c:9]:[n:10].[C:3](=[O:4])(-[c:5](:[n:6]):[c:8]:[n:7])-[O:13]	1	2545
+[c:1](-[N:2]-[C:3](=[O:4])-[c:5]):[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5])-[Cl:10].[c:1](-[N+:2](=[O:8])-[O-:9]):[c:6]:[n:7]	1	2546
+[c:1](-[N:2]-[C:3]-[c:4]):[c:5]:[n:6]>>[C:3](-[c:4])=[O:9].[c:1](-[N+:2](=[O:7])-[O-:8]):[c:5]:[n:6]	1	2547
+[c:1](-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:7]:[n:8]:1):[c:9]):[c:10]:[n:11]>>[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:7]:[n:8]:1):[c:9])-[Cl:14].[c:1](-[N+:2](=[O:12])-[O-:13]):[c:10]:[n:11]	1	2548
+[c:1](-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7]):[c:10]:[n:11]>>[c:1](-[N+:2](=[O:12])-[O-:13]):[c:10]:[n:11].[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7])-[Cl:14]	1	2549
+[c:1](-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]):[c:8]:[n:9]>>[N:5](-[C:6])(-[C:7])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[c:1](-[S:2](=[O:3])(=[O:4])-[Cl:10]):[c:8]:[n:9]	1	2550
+[c:1](-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[o:7]:1):[c:8]:[n:9]>>[C:4](-[C:5])(=[N:6]-[O:7])-[Cl:14].[c:1](-[C:2]#[C:3]-[Si:10](-[C:11])(-[C:12])-[C:13]):[c:8]:[n:9]	1	2551
+[c:1](:[c:2](-[C:3](-[N:4])=[O:5]):[s:6]):[n:7]>>[N:4].[c:1](:[c:2](-[C:3](=[O:5])-[O:8]-[C:9]-[C:10]):[s:6]):[n:7]	1	2552
+[c:1](:[c:2](-[C:3](=[O:4])-[Cl:5]):[n:6]):[o:7]>>[Cl:5]-[C:8](-[C:9](=[O:10])-[Cl:11])=[O:12].[c:1](:[c:2](-[C:3](=[O:4])-[O:13]-[C:14]):[n:6]):[o:7]	1	2553
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]):[n:8]>>[N:5]-[C:6].[c:1](:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[n:7]):[n:8]	1	2554
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]):[n:8]>>[c:1](:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[n:7]):[n:8].[N:5]-[C:6]	1	2555
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[s:7]):[n:8]>>[N:5]-[C:6].[c:1](:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[s:7]):[n:8]	2	2556,2557
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[s:7]):[n:8]>>[c:1](:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[s:7]):[n:8].[N:5]-[C:6]	2	2558,2559
+[c:1](:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]):[n:8]>>[N:4](-[C:5])-[C:6].[c:1](:[c:2](-[C:3](=[O:9])-[O:10]-[C:11]-[C:12]):[n:7]):[n:8]	1	2560
+[c:1](:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]):[n:8]>>[N:4](-[C:5])-[C:6].[c:1](:[c:2](-[C:3]-[O:9]):[n:7]):[n:8]	1	2561
+[c:1](:[c:2](-[C:3]=[O:6]):[n:4]):[n:5]>>[c:1](:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[n:4]):[n:5]	1	2562
+[c:1](:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[c:7]:[n:8]):[n:9]>>[C:4](=[O:5])(-[C:6])-[Cl:12].[c:1](:[c:2](-[N+:3](=[O:10])-[O-:11]):[c:7]:[n:8]):[n:9]	1	2563
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4](-[B:5](-[O:6])-[O:10]-[C:11](-[C:12])-[C:13])-[C:7](-[C:8])-[C:9].[c:1](:[c:2])(:[c:3])-[Br:14]	1	2564
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-[B:5](-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15].[c:1](:[c:2])(:[c:3])-[N+:16](=[O:17])-[O-:18]	2	2565,2566
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-[B:5](-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15].[c:1](:[c:2])(:[c:3])-[N:16]	2	2567,2568
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-[B:5](-[O:6])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15].[c:1](:[c:2]):[c:3]	1	2569
+[c:1](:[c:2])(:[c:3])-[Br:4]>>[Br:4].[c:1](:[c:2])(:[c:3])-[N+:5](=[O:6])-[O-:7]	1	2570
+[c:1](:[c:2])(:[c:3])-[I:4]>>[I:4].[c:1](:[c:2])(:[c:3])-[N+:5](=[O:6])-[O-:7]	2	2571,2572
+[c:1](:[c:2]):[n:7]:[c:4](:[c:3])-[N:5]-[c:6]>>[c:1](:[c:2]):[n:7]:[c:4](:[c:3])-[O:8].[N:5]-[c:6]	1	2573
+[c:1](:[c:2]):[n:8]:[c:4](:[c:3])-[N:5](-[C:6])-[C:7]>>[c:1](:[c:2]):[n:8]:[c:4](:[c:3])-[O:9].[N:5](-[C:6])-[C:7]	1	2574
+[c:1](:[c:2]):[n:9]:1:[c:4](:[c:3]):[n:5]:[n:6]:[c:7]:1-[C:8]>>[c:1](:[c:2]):[n:9]:[c:4](:[c:3])-[N:5]-[N:6].[C:7](-[C:8])(=[O:10])-[Cl:11]	1	2575
+[c:1](:[c:2]-[C:3](-[N:4])=[O:5]):[n:6]>>[c:1](:[c:2]-[C:3](=[O:5])-[O:7]-[C:8]-[C:9]):[n:6].[N:4]	1	2576
+[c:1](:[c:2]-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]>>[N:5]-[C:6].[c:1](:[c:2]-[C:3](=[O:4])-[O:8]-[C:9]):[n:7]	1	2577
+[c:1](:[c:2]-[C:3](=[O:4])-[N:5]-[c:6]):[s:7]>>[N:5]-[c:6].[c:1](:[c:2]-[C:3](=[O:4])-[O:8]):[s:7]	1	2578
+[c:1](:[c:2]-[C:3]-[N:4]-[C:5](=[O:6])-[c:7]):[n:8]>>[C:5](=[O:6])(-[c:7])-[O:9].[c:1](:[c:2]-[C:3]#[N:4]):[n:8]	1	2579
+[c:1](:[c:2]-[N:3]-[C:4](=[O:5])-[c:6](:[n:7]):[c:9]:[n:8]):[n:10]>>[c:1](:[c:2]-[N+:3](=[O:11])-[O-:12]):[n:10].[C:4](=[O:5])(-[c:6](:[n:7]):[c:9]:[n:8])-[O:13]	1	2580
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+[c:1]-[C:2](=[N:3]-[O:4])-[Cl:5]>>[c:1]-[C:2]=[O:6].[Cl:5]-[N:7]-1-[C:8](=[O:9])-[C:10]-[C:11]-[C:12]-1=[O:13].[N:3]-[O:4]	1	2670
+[c:1]-[C:2](=[O:3])-[C:4](=[O:5])-[c:6](:[c:7]):[c:8]>>[c:1]-[C:2]#[C:4].[O:3]=[S:10](-[C:11])-[C:12].[O:5].[c:6](:[c:7])(:[c:8])-[I:9]	1	2671
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[C:5](-[C:6](=[O:7])-[Cl:8])=[O:9].[c:1]-[C:2](=[O:3])-[O:10]-[C:11]	2	2672,2673
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[C:5](-[C:6](=[O:7])-[Cl:8])=[O:9].[c:1]-[C:2](=[O:3])-[O:10]-[C:11]-[C:12]	1	2674
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[c:1]-[C:2](=[O:3])-[O:8]-[C:9]	4	2675,2676,2677,2678
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[S:5](=[O:6])-[Cl:7].[c:1]-[C:2]=[O:3]	1	2679
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[S:6](-[Cl:5])=[O:7].[c:1]-[C:2]=[O:3]	1	2680
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:9].[Cl:4]-[S:5](=[O:6])-[Cl:7]	1	2681
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:9].[Cl:4]-[S:6](-[Cl:5])=[O:7]	4	2682,2683,2684,2685
+[c:1]-[C:2](=[O:3])-[Cl:4]>>[c:1]-[C:2]=[C:5].[Cl:4]-[S:10](=[O:11])-[Cl:12].[O:3]=[Os:6](=[O:7])(=[O:8])=[O:9]	1	2686
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:12](=[O:10])-[O:13]-[C:14](-[C:7])(-[C:8])-[C:9].[c:1]-[C:2](=[O:3])-[O:11]	1	2687
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[c:1]-[C:2](=[O:3])-[O:7]	2	2688,2689
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[c:1]-[C:2](=[O:3])-[O:7]	1	2690
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[c:1]-[C:2](=[O:3])-[Cl:7]	1	2691
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2](=[O:3])-[O:7]	2	2692,2693
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2](=[O:3])-[O:7]-[C:8]	7	2694,2695,2696,2697,2698,2699,2700
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9]	3	2701,2702,2703
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4]-[C:6].[C:5]-[I:8].[c:1]-[C:2](=[O:3])-[O:7]	1	2704
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[c:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9].[N:4](-[C:5])-[C:6]	1	2705
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[c:1]-[C:2](=[O:3])-[O:7]-[C:8].[N:4](-[C:5])-[C:6]	2	2706,2707
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[c:1]-[C:2](=[O:3])-[O:7].[N:4](-[C:5])(-[C:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	2708
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[N:4](-[C:5])-[c:6].[c:1]-[C:2](=[O:3])-[O:7]	2	2709,2710
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[N:4](-[C:5])-[c:6].[c:1]-[C:2](=[O:3])-[O:7]-[C:8]	1	2711
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[N:4](-[C:5])-[c:6].[c:1]-[C:2](=[O:3])-[O:7]-[C:8]-[C:9]	1	2712
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[c:1]-[C:2](=[O:3])-[O:7]-[C:8].[N:4](-[C:5])-[c:6]	1	2713
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[c:1]-[C:2](=[O:3])-[O:7].[N:4](-[C:5])-[c:6]	1	2714
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6])-[c:7]>>[N:4](-[C:5](-[C:6])=[O:9])-[c:7].[c:1]-[C:2](=[O:3])-[Cl:8]	1	2715
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[c:1]-[C:2](=[O:3])-[O:9]-[C:10].[N:4]-[C:5]-[C:6](=[O:7])-[O:8]	1	2716
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]-[c:7]>>[c:1]-[C:2](=[O:3])-[O:8].[N+:4](-[C:5]=[C:6]-[c:7])(=[O:9])-[O-:10]	1	2717
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]>>[N:4]#[C:5]-[C:6].[c:1]-[C:2](=[O:3])-[O:7]	1	2718
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-1(-[C:5])-[C:7](=[O:8])-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-[C:15]-1=[O:16].[c:1]-[C:2](=[O:3])-[Cl:6]	1	2719
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[c:1]-[C:2](=[O:3])-[O:6]	2	2720,2721
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[c:1]-[C:2](=[O:3])-[O:6]-[C:7]	21	2722,2723,2724,2725,2726,2727,2728,2729,2730,2731,2732,2733,2734,2735,2736,2737,2738,2739,2740,2741,2742
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[c:1]-[C:2](=[O:3])-[O:6]-[C:7]-[C:8]	2	2743,2744
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[Cl:6].[N:4](-[C:5])=[N+:7]=[N-:8]	1	2745
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[C:5]	2	2746,2747
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[C:5]	5	2748,2749,2750,2751,2752
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6].[N+:4](-[C:5])(=[O:7])-[O-:8]	1	2753
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6].[N:4](-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	2754
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6].[N:4]-[C:5]	1	2755
+[c:1]-[C:2](=[O:3])-[N:4]-[N:5]=[C:6](-[C:7](=[O:8])-[N:9])-[c:10]>>[N:4]-[N:5].[c:1]-[C:2](=[O:3])-[O:11]-[C:12].[C:6](-[C:7](=[O:8])-[N:9])(-[c:10])=[O:13]	2	2756,2757
+[c:1]-[C:2](=[O:3])-[N:4]-[N:5]>>[N:4]-[N:5].[c:1]-[C:2](=[O:3])-[O:6]	1	2758
+[c:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5].[c:1]-[C:2](=[O:3])-[O:6]-[C:7]	1	2759
+[c:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10].[N:4]-[S:5]	1	2760
+[c:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[S:5]	2	2761,2762
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:9].[N:4]-[c:5](:[n:6]):[c:7]	1	2763
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[c:1]-[C:2](=[O:3])-[O:8]	1	2764
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[c:1]-[C:2](=[O:3])-[O:8]-[C:9]	1	2765
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:6]:[n:7]>>[N+:4](-[c:5]:[c:6]:[n:7])(=[O:9])-[O-:10].[c:1]-[C:2](=[O:3])-[Cl:8]	1	2766
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:6]:[n:7]>>[N:4]-[c:5]:[c:6]:[n:7].[c:1]-[C:2](=[O:3])-[O:8]	1	2767
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[c:1]-[C:2](=[O:3])-[O:8].[N+:4](-[c:5]:[c:7]:[n:6])(=[O:9])-[O-:10]	1	2768
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:7])-[O-:8].[c:1]-[C:2](=[O:3])-[Cl:6]	1	2769
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(=[O:7])-[O-:8].[c:1]-[C:2](=[O:3])-[O:6]	3	2770,2771,2772
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4](-[c:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:1]-[C:2](=[O:3])-[O:6]	1	2773
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4]-[c:5].[c:1]-[C:2](=[O:3])-[O:6]	2	2774,2775
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4]-[c:5].[c:1]-[C:2](=[O:3])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]	2	2776,2777
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[Cl:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	2	2778,2779
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7].[N:4]-[c:5]	3	2780,2781,2782
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[O:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	1	2783
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[O:6].[N:4]-[c:5]	4	2784,2785,2786,2787
+[c:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:7].[O:4]-[C:5]	1	2788
+[c:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:6].[O:4]-[C:5]	1	2789
+[c:1]-[C:2](=[O:3])-[O:4]-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11]>>[c:1]-[C:2](=[O:3])-[O:19]-[C:20].[O:4](-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11])-[C:13](-[N:14](-[C:15])-[C:16])=[N+:17](-[C:12])-[C:18]	1	2790
+[c:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:1]-[C:2]=[O:3].[c:4](:[c:5])(:[c:6])-[Mg:7]-[Br:8]	1	2791
+[c:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1.[c:1]-[C:2](=[O:3])-[O:9]	1	2792
+[c:1]-[C:2]-1-[C:3]-[C:4]-[C:5]-[N:6]-2-[C:7]-[C:8]-[S:9](=[O:10])(=[O:11])-[N:12]=[C:13]-1-2>>[C:7](-[C:8]-[S:9](=[O:10])(=[O:11])-[Cl:14])-[Cl:15].[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:13]:1-[N:12]	1	2793
+[c:1]-[C:2]-1-[C:3]=[C:4]-[C:5]=[N+:6](-[C:7]-1=[O:8])-[O-:9]>>[O:8]=[C:11](-[O:12]-[C:13](-[C:14])=[O:15])-[C:16].[O:9]-[O:10].[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:7]:1	1	2794
+[c:1]-[C:2]-1-[N:3]-[C:4](=[O:5])-[N:6]-[C:7](-[c:8](:[c:9]):[c:10])=[C:11]-1-[c:12]>>[C:7](-[C:11]-[c:12])(=[O:14])-[O:17].[N:3]-[C:4](=[O:5])-[N:6].[c:1]-[C:2]=[O:13].[c:8](:[c:9])(:[c:10])-[Mg:15]-[Br:16]	1	2795
+[c:1]-[C:2]-1-[N:3]-[C:4](=[O:5])-[N:6]-[C:7](-[c:8](:[c:9]):[c:10])=[C:11]-1-[c:12]>>[N:3]-[C:4](=[O:5])-[N:6].[C:7](-[C:11]-[c:12])(=[O:14])-[N:15](-[O:16]-[C:17])-[C:18].[c:1]-[C:2]=[O:13].[c:8](:[c:9])(:[c:10])-[Mg:19]-[Br:20]	1	2796
+[c:1]-[C:2]-1=[C:3](-[O:4])-[C:5]-[N:6]-[C:7]-1=[O:8]>>[C:3](=[O:4])(-[C:5]-[N:6])-[O:10]-[C:9].[c:1]-[C:2]-[C:7](=[O:8])-[O:11]	1	2797
+[c:1]-[C:2]-1=[N:3]-[N:4](-[c:5](:[n:6]):[s:7])-[C:8](=[O:9])-[C:10]-1=[C:11]-[N:12]>>[c:1]-[C:2](-[C:10]-[C:8](=[O:9])-[O:13]-[C:14]-[C:15])=[O:16].[N:12].[C:11](-[N:17](-[C:22])-[C:23])(-[O:18]-[C:19])-[O:20]-[C:21].[N:3]-[N:4]-[c:5](:[n:6]):[s:7]	1	2798
+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[C:7]-1=[C:8]-[N:9]>>[c:1]-[C:2]=1-[N:3]-[N:4]-[C:5](=[O:6])-[C:7]=1.[N:9].[C:8](-[N:11](-[C:10])-[C:12])(-[O:13]-[C:14])-[O:15]-[C:16]	1	2799
+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[S:6])-[O:7]-1>>[N:3]-[N:4].[C:5](=[S:6])=[S:10].[c:1]-[C:2](=[O:7])-[O:8]-[C:9]	1	2800
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6](:[c:7]):[c:8])(-[C:9](-[F:10])(-[F:11])-[F:12])-[C:13]-1>>[c:1]-[C:2](=[N:3]-[O:4])-[Cl:14].[c:6](:[c:7])(:[c:8])-[B:15]-1-[O:16]-[C:17](-[C:18])(-[C:19])-[C:20](-[O:22]-1)(-[C:23])-[C:24].[C:5](-[C:9](-[F:10])(-[F:11])-[F:12])(=[C:13])-[Br:21]	1	2801
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11].[N:3]-[O:4].[c:1]-[C:2]=[O:12]	1	2802
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11].[c:1]-[C:2]=[N:3]-[O:4]	1	2803
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[c:1]-[C:2].[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11].[N:3]-[O:4]	1	2804
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[c:1]-[C:2]=[N:3]-[O:4].[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11]	2	2805,2806
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[c:1]-[C:2]=[O:12].[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11].[N:3]-[O:4]	1	2807
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[c:1]-[C:2](-[O:8])=[O:9]	1	2808
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:6])-[Br:7].[c:1]-[C:2]=[O:8]	2	2809,2810
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[C:4](-[Br:5])(-[Br:8])-[Br:9].[c:1]-[C:2](-[O:6])=[O:7]	1	2811
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[N:4]-1-[C:5](=[O:6])-[C:7]-[C:8]-[C:9]-1=[O:10].[c:1]-[C:2](=[O:11])-[O:12]-[C:13]	1	2812
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[c:1]-[C:2](=[O:7])-[Cl:8]	1	2813
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[c:1]-[C:2](=[O:7])-[O:8]	1	2814
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[P:4](-[Br:5])-[Br:6].[c:1]-[C:2]=[O:7]	7	2815,2816,2817,2818,2819,2820,2821
+[c:1]-[C:2]-[Br:3]>>[Br:3].[c:1]-[C:2](=[O:4])-[O:5]-[C:6]-[C:7]	1	2822
+[c:1]-[C:2]-[Br:3]>>[Br:3].[c:1]-[C:2]=[O:4]	1	2823
+[c:1]-[C:2]-[C:3]#[N:4]>>[C:3]#[N:4].[c:1]-[C:2](-[O:5])=[O:6]	1	2824
+[c:1]-[C:2]-[C:3]#[N:4]>>[C:3]#[N:4].[c:1]-[C:2](=[O:5])-[O:6]-[C:7]	2	2825,2826
+[c:1]-[C:2]-[C:3]#[N:4]>>[C:3]#[N:4].[c:1]-[C:2]-[O:5]	5	2827,2828,2829,2830,2831
+[c:1]-[C:2]-[C:3]#[N:4]>>[c:1]-[C:2](-[O:5])=[O:6].[C:3]#[N:4]	1	2832
+[c:1]-[C:2]-[C:3]#[N:4]>>[c:1]-[C:2]-[O:5].[C:3]#[N:4]	4	2833,2834,2835,2836
+[c:1]-[C:2]-[C:3]#[N:4]>>[c:1]-[C:2].[C:3]#[N:4]	1	2837
+[c:1]-[C:2]-[C:3](-[O:4])=[O:5]>>[O:4]-[C:6]-[C:7].[c:1]-[C:2]-[Cl:9].[C:3]#[N:8].[O:5]	1	2838
+[c:1]-[C:2]-[C:3](=[O:4])-[O:5]>>[O:5]-[C:6].[C:3]#[N:7].[O:4].[c:1]-[C:2]-[Cl:8]	1	2839
+[c:1]-[C:2]-[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]>>[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9].[c:1]-[C:2]=[O:10]	2	2840,2841
+[c:1]-[C:2]-[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]>>[c:1]-[C:2]=[O:10].[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]	1	2842
+[c:1]-[C:2]-[C:3]-[C:4](-[C:5])=[O:6]>>[C:3]-[C:4](-[C:5])=[O:6].[c:1]-[C:2]=[O:7]	1	2843
+[c:1]-[C:2]-[C:3]-[C:4]-[O:5]>>[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:8]-[C:7]-[C:6]	1	2844
+[c:1]-[C:2]-[C:3]-[C:4]=[O:5]>>[C:3]-[C:4]=[O:5].[c:1]-[C:2]=[O:6]	1	2845
+[c:1]-[C:2]-[C:3]-[C:4]=[O:5]>>[c:1]-[C:2]=[O:6].[C:3]-[C:4]=[O:5]	1	2846
+[c:1]-[C:2]-[C:3]-[N+:4]>>[C:3]-[N+:4].[c:1]-[C:2]=[O:5]	5	2847,2848,2849,2850,2851
+[c:1]-[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2]=[C:3]-[O:7]-[C:8]	1	2852
+[c:1]-[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2]=[O:9].[C:3](-[O:7]-[C:8])-[P+:10](-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)(-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2)-[c:23]:3:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:3	1	2853
+[c:1]-[C:2]-[C:3]-[N:4]-[C:5](-[C:6])=[O:7]>>[c:1]-[C:2]=[C:3]-[N+:4](=[O:9])-[O-:10].[C:5](-[C:6])(=[O:7])-[O:8]	1	2854
+[c:1]-[C:2]-[C:3]-[N:4]-[C:5](=[O:6])-[C:7](-[F:8])(-[F:9])-[F:10]>>[C:5](=[O:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[O:11]-[C:12](=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[C:3]-[N+:4](=[O:18])-[O-:19].[c:1]-[C:2]=[O:20]	1	2855
+[c:1]-[C:2]-[C:3]-[N:4]-[C:5](=[O:6])-[C:7](-[F:8])(-[F:9])-[F:10]>>[C:5](=[O:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[O:11]-[C:12](=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[c:1]-[C:2]=[C:3]-[N+:4](=[O:18])-[O-:19]	1	2856
+[c:1]-[C:2]-[C:3]-[N:4]>>[C:3]-[N+:4](=[O:5])-[O-:6].[c:1]-[C:2]=[O:7]	4	2857,2858,2859,2860
+[c:1]-[C:2]-[C:3]-[N:4]>>[c:1]-[C:2]-[Br:5].[C:3]#[N:4]	2	2861,2862
+[c:1]-[C:2]-[C:3]-[N:4]>>[c:1]-[C:2].[C:3]#[N:4]	1	2863
+[c:1]-[C:2]-[C:3]-[N:4]>>[c:1]-[C:2]=[C:3]-[N+:4](=[O:5])-[O-:6]	5	2864,2865,2866,2867,2868
+[c:1]-[C:2]-[C:3]=[O:4]>>[C:3](-[O:4]-[C:5])-[P+:6](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3.[c:1]-[C:2]=[O:25]	1	2869
+[c:1]-[C:2]-[C:3]=[O:4]>>[c:1]-[C:2]=[O:6].[C:3](-[O:4]-[C:5])-[P+:7](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	2	2870,2871
+[c:1]-[C:2]-[C:3]>>[c:1]-[C:2](-[C:3])=[O:4]	2	2872,2873
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[C:4](-[Cl:5])-[Cl:6].[c:1]-[C:2](-[O:7])=[O:8]	1	2874
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[C:4]-[Cl:5].[c:1]-[C:2](=[O:6])-[O:7]-[C:8]	1	2875
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](-[C:5])(=[O:6])=[O:7].[c:1]-[C:2](=[O:8])-[O:9]-[C:10]	1	2876
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](-[Cl:7])=[O:8].[c:1]-[C:2](-[O:5])=[O:6]	1	2877
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](-[Cl:8])=[O:9].[c:1]-[C:2](=[O:5])-[O:6]-[C:7]	1	2878
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[c:1]-[C:2](-[O:7])=[O:8]	2	2879,2880
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[c:1]-[C:2](-[O:7]-[C:9]-[C:10])=[O:8]	1	2881
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[c:1]-[C:2](=[O:7])-[O:8]-[C:9]-[C:10]	1	2882
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:4](=[O:5])-[Cl:6].[c:1]-[C:2]=[O:7]	2	2883,2884
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:5](-[Cl:4])=[O:6].[c:1]-[C:2](=[O:7])-[O:8]-[C:9]	2	2885,2886
+[c:1]-[C:2]-[Cl:3]>>[Cl:3]-[S:5](-[Cl:4])=[O:6].[c:1]-[C:2]=[O:7]	1	2887
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2](-[O:7])=[O:8].[Cl:3]-[C:5](-[Cl:4])-[Cl:6]	1	2888
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2](-[O:8])=[O:9].[Cl:3]-[C:5](-[Cl:4])(-[Cl:6])-[Cl:7]	1	2889
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2]=[O:6].[Cl:3]-[C:5]-[Cl:4]	1	2890
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2]=[O:7].[Cl:3]-[S:5](-[Cl:4])=[O:6]	1	2891
+[c:1]-[C:2]-[N:3](-[C:4](-[C:5])=[O:6])-[c:7]>>[C:4](-[C:5])(=[O:6])-[Cl:9].[N:3]-[c:7].[c:1]-[C:2]=[O:8]	1	2892
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](-[C:6])=[O:7]>>[N:3]-[C:4].[c:1]-[C:2]=[O:8].[C:5](-[C:6])(=[O:7])-[Cl:9]	1	2893
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[C:7]>>[C:5](=[O:6])(-[C:7])-[Cl:9].[N:3]-[C:4].[c:1]-[C:2]=[O:8]	1	2894
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[N:7]-[C:8]>>[N:3]-[C:4].[c:1]-[C:2]=[O:9].[C:5](=[O:6])=[N:7]-[C:8]	1	2895
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[N:3]-[C:4].[c:1]-[C:2]-[Br:12]	1	2896
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:13]-[C:14](-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19])=[O:20].[c:1]-[C:2]=[O:12].[N:3]-[C:4]	1	2897
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[c:7]:[c:8]:[n:9]>>[c:1]-[C:2]=[O:10].[N:3]-[C:4].[C:5](=[O:6])(-[c:7]:[c:8]:[n:9])-[O:11]	1	2898
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[c:7]>>[N:3]-[C:4].[C:5](=[O:6])(-[c:7])-[Cl:9].[c:1]-[C:2]=[O:8]	1	2899
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:4]=[O:7].[N:3]-[C:5].[c:1]-[C:2]=[O:6]	1	2900
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:1]-[C:2]-[Br:6]	1	2901
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])(-[C:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:1]-[C:2]=[O:6]	4	2902,2903,2904,2905
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2](-[O:6])=[O:7]	2	2906,2907
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2](-[O:6]-[C:7])-[O:8]-[C:9]	1	2908
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2](-[O:6]-[C:8]-[C:9])=[O:7]	1	2909
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2](=[O:6])-[O:7]	2	2910,2911
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2]-[O:6]	10	2912,2913,2914,2915,2916,2917,2918,2919,2920,2921
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2]=[O:6]	1	2922
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[c:1]-[C:2]-[O:6].[N:3](-[C:4])-[C:5]	4	2923,2924,2925,2926
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[c:1]-[C:2]=[O:6].[N:3](-[C:4])-[C:5]	1	2927
+[c:1]-[C:2]-[N:3](-[C:4])-[C:6](-[C:5])=[O:7]>>[N:3](-[C:4])-[C:6](-[C:5])=[O:7].[c:1]-[C:2]-[O:8]	1	2928
+[c:1]-[C:2]-[N:3](-[C:4])-[S:5](=[O:6])(=[O:7])-[C:8]>>[N:3]-[C:4].[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:10].[c:1]-[C:2]=[O:9]	1	2929
+[c:1]-[C:2]-[N:3](-[C:4])-[c:5]>>[c:1]-[C:2]-[Br:6].[N:3](-[C:4])(-[c:5])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13]	1	2930
+[c:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:6]=[O:7]>>[c:1]-[C:2].[N:3](-[C:4]=[O:5])-[C:6]=[O:7]	1	2931
+[c:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[C:6](-[C:7])=[C:8]-[N:9](-[c:10])-[C:11]-1=[O:12]>>[N:3](-[C:4](=[O:5])-[C:6](-[C:7])=[C:8]-[O:14]-[C:15]-[C:16])-[C:11](=[O:12])-[O:17]-[C:18]-[C:19].[c:1]-[C:2]-[Br:13].[N:9]-[c:10]	1	2932
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[C:6]>>[C:4](=[O:5])(-[C:6])-[O:7].[c:1]-[C:2]#[N:3]	4	2933,2934,2935,2936
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[Cl:7].[c:1]-[C:2]#[N:3]	1	2937
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[O:7].[N:3]-[O:8].[c:1]-[C:2]=[O:9]	1	2938
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[O:8].[c:1]-[C:2]=[N:3]-[O:7]	1	2939
+[c:1]-[C:2]-[N:3]-[C:4]>>[N:3](-[C:4])-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[c:1]-[C:2]=[O:5]	1	2940
+[c:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[c:1]-[C:2](=[O:5])-[O:6]-[C:7]	1	2941
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+[c:1]-[C:2]-[N:3]-[C:4]>>[c:1]-[C:2](=[O:5])-[O:6]-[C:7].[N:3]-[C:4]	1	2946
+[c:1]-[C:2]-[N:3]-[C:4]>>[c:1]-[C:2]-[O:5].[N:3]-[C:4]	2	2947,2948
+[c:1]-[C:2]-[N:3]-[C:4]>>[c:1]-[C:2].[N:3]-[C:4]	1	2949
+[c:1]-[C:2]-[N:3]-[C:4]>>[c:1]-[C:2]=[O:5].[N:3]-[C:4]	2	2950,2951
+[c:1]-[C:2]-[N:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[C:8]):[o:9]:1>>[N:5]-[N:6]-[C:7](-[C:8])=[O:9].[N:3]#[C:4]-[Br:11].[c:1]-[C:2]=[O:10]	1	2952
+[c:1]-[C:2]-[N:3]-[c:4]:[c:6]:[n:5]>>[c:1]-[C:2]=[O:7].[N+:3](-[c:4]:[c:6]:[n:5])(=[O:8])-[O-:9]	1	2953
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+[c:1]-[C:2]-[N:3]-[c:4]>>[c:1]-[C:2].[N:3]-[c:4]	2	2956,2957
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+[c:1]-[C:2]-[N:3]>>[N:3]-[O:4].[c:1]-[C:2]=[O:5]	1	2961
+[c:1]-[C:2]-[N:3]>>[c:1]-[C:2]-[O:14].[N:3]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2-[C:12]-1=[O:13]	1	2962
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+[c:1]-[C:2]-[O:3]-[C:4](-[C:5]-[C:6])-[O:7]>>[C:4](=[C:5]-[C:6])-[O:7].[c:1]-[C:2]=[O:3]	1	2965
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+[c:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:9].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:10]	1	2970
+[c:1]-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[c:1]-[C:2]=[O:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:8]	1	2971
+[c:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7]>>[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:8].[c:1]-[C:2]=[O:3]	1	2972
+[c:1]-[C:2]-[O:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[O:7].[c:1]-[C:2]=[O:3]	2	2973,2974
+[c:1]-[C:2]-[O:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[C:2]-[Cl:7].[O:3](-[c:4](:[n:5]):[c:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	2975
+[c:1]-[C:2]-[O:3]-[c:4]:1:[n:5]:[n:6](-[c:7]):[c:8]:[c:9]:1-[C:10]=[O:11]>>[c:1]-[C:2]-[O:12].[O:3]=[C:4]-1-[N:5]-[N:6](-[c:7])-[C:8]=[C:9]-1-[C:10]=[O:11]	1	2976
+[c:1]-[C:2]-[O:3]-[c:4]:1:[n:5]:[n:6](-[c:7]):[c:8]:[c:9]:1-[C:10]=[O:11]>>[c:1]-[C:2]=[O:12].[O:3]=[C:4]-1-[N:5]-[N:6](-[c:7])-[C:8]=[C:9]-1-[C:10]=[O:11]	1	2977
+[c:1]-[C:2]-[O:3]-[c:4]:[c:6]:[n:5]>>[c:1]-[C:2]-[O:7].[O:3]-[c:4]:[c:6]:[n:5]	1	2978
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[c:1]-[C:2]-[Br:5]	1	2979
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6].[c:1]-[C:2]-[Br:5]	2	2980,2981
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3](-[c:4])-[C:6].[c:1]-[C:2]-[Cl:5]	2	2982,2983
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3]-[c:4].[c:1]-[C:2]	1	2984
+[c:1]-[C:2]-[O:3]-[c:4]>>[O:3]-[c:4].[c:1]-[C:2]-[O:5]	2	2985,2986
+[c:1]-[C:2]-[O:3]-[c:4]>>[c:1]-[C:2]-[O:5].[O:3]-[c:4]	1	2987
+[c:1]-[C:2]-[O:3]-[c:4]>>[c:1]-[C:2]=[O:5].[O:3]-[c:4]	1	2988
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2]#[N:4].[O:3]	1	2989
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](-[O:3]-[C:4])=[O:5]	2	2990,2991
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](-[O:3]-[C:5])=[O:4]	7	2992,2993,2994,2995,2996,2997,2998
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](-[O:3]-[C:5]-[C:6])=[O:4]	1	2999
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](=[O:3])-[O:4]	5	3000,3001,3002,3003,3004
+[c:1]-[C:2]-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]>>[c:1]-[C:2](-[O:7])=[O:8].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:9]	1	3005
+[c:1]-[C:2]-[P:4](-[O:3])(=[O:5])-[O:6]>>[c:1]-[C:2]-[O:9].[O:3]-[P:4](-[O:5]-[C:7]-[C:8])-[O:6]	1	3006
+[c:1]-[C:2]-[S:3]-[c:4](:[n:5]):[n:6]>>[c:1]-[C:2]-[O:7].[S:3]-[c:4](:[n:5]):[n:6]	1	3007
+[c:1]-[C:2]-[S:3]-[c:4](:[n:5]):[n:6]>>[c:1]-[C:2]=[O:7].[S:3]-[c:4](:[n:5]):[n:6]	1	3008
+[c:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[c:6](-[C:7]):[c:8](-[C:9]#[N:10]):[c:11](-[O:12]):[n:13]:1>>[C:6](-[C:7])=[O:15].[C:8](-[C:9]#[N:10])-[C:11](=[O:12])-[O:16]-[C:17].[S:3]=[C:4](-[N:5])-[N:13].[c:1]-[C:2]-[Cl:14]	1	3009
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[C:2](=[O:6])-[O:7].[c:3](:[c:4]):[c:5]	1	3010
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[C:2]=[O:6].[c:3](:[c:4])(:[c:5])-[Br:7]	2	3011,3012
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[C:2]=[O:6].[c:3](:[c:4])(:[c:5])-[Mg:7]-[Br:8]	1	3013
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:7].[c:1]-[C:2]=[O:6]	2	3014,3015
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4]):[c:5].[c:1]-[C:2](=[O:6])-[Cl:7]	1	3016
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4]):[c:5].[c:1]-[C:2](=[O:6])-[O:7]	1	3017
+[c:1]-[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1>>[c:1]-[C:2]=[O:9].[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1	1	3018
+[c:1]-[C:2]-[c:3]>>[c:1]-[C:2](-[c:3])=[O:4]	2	3019,3020
+[c:1]-[C:2]-[n:3]:1:[c:4](-[C:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:3]-[c:8](:[c:7](-[N+:6](=[O:12])-[O-:13]):[c:10]):[c:9].[c:1]-[C:2]-[Br:11].[C:4](-[C:5])(=[O:14])-[O:15]	1	3021
+[c:1]-[C:2]-[n:3]:1:[c:4](-[C:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:3]-[c:8](:[c:7](-[N:6]):[c:10]):[c:9].[c:1]-[C:2]-[Br:11].[C:4](-[C:5])(=[O:12])-[O:13]	1	3022
+[c:1]-[C:2]-[n:3]:1:[c:4](-[C:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[c:1]-[C:2]-[Br:11].[C:4](-[C:5])(=[O:12])-[O:13].[N:3]-[c:8](:[c:7](-[N:6]):[c:10]):[c:9]	1	3023
+[c:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7].[c:1]-[C:2]	1	3024
+[c:1]-[C:2]=[C:3](-[C:4]#[N:5])-[S:6]>>[c:1]-[C:2](-[O:7])=[O:8].[C:3](-[C:4]#[N:5])-[S:6]	1	3025
+[c:1]-[C:2]=[C:3](-[C:4]#[N:5])-[S:6]>>[c:1]-[C:2]-[O:7].[C:3](-[C:4]#[N:5])-[S:6]	1	3026
+[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:6]>>[c:1]-[C:2](=[O:7])-[N:8](-[O:9]-[C:10])-[C:11].[C:3](-[C:4](=[O:5])-[O:6])=[P:12](-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)(-[c:19]:2:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:2)-[c:25]:3:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:3	1	3027
+[c:1]-[C:2]=[C:3]-[C:4]>>[c:1]-[C:2](-[C:3]-[C:4])=[O:5]	1	3028
+[c:1]-[C:2]=[N:3]-[N:4]-[c:5](:[c:6]):[n:8]:[n:7]>>[c:5](:[c:6])(:[n:8]:[n:7])-[Cl:10].[N:3]-[N:4].[c:1]-[C:2]=[O:9]	1	3029
+[c:1]-[C:2]=[N:3]-[N:4]-[c:5]:1:[n:6]:[c:7](:[c:8]):[n:9]:[c:10]:[c:11]:1>>[c:5]:1(:[n:6]:[c:7](:[c:8]):[n:9]:[c:10]:[c:11]:1)-[Cl:13].[N:3]-[N:4].[c:1]-[C:2]=[O:12]	1	3030
+[c:1]-[C:2]=[N:3]-[O:4]>>[N:3]-[O:4].[c:1]-[C:2]-[O:5]	1	3031
+[c:1]-[C:2]=[N:3]-[O:4]>>[c:1]-[C:2]-[O:5].[N:3]-[O:4]	1	3032
+[c:1]-[C:2]=[N:3]-[O:4]>>[c:1]-[C:2].[N:3]-[O:4]	1	3033
+[c:1]-[C:2]=[O:3]>>[O:3]=[S:4](-[C:5])-[C:6].[c:1]-[C:2]	1	3034
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](-[O:3])=[O:4]	4	3035,3036,3037,3038
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](-[O:3]-[C:5])=[O:4]	1	3039
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](=[O:3])-[O:4]	2	3040,3041
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](=[O:3])-[O:4]-[C:5]	6	3042,3043,3044,3045,3046,3047
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]	2	3048,3049
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]-[O:3]-[Si:4](-[C:5](-[C:6])(-[C:7])-[C:8])(-[C:9])-[C:10]	1	3050
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]-[O:3]-[Si:4](-[C:5](-[C:6])(-[C:7])-[C:8])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2	1	3051
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7](-[C:8])(-[C:9])-[C:10]	1	3052
+[c:1]-[C:3](-[C:2])-[N:4]-[S:5](=[O:6])(=[O:7])-[c:8]>>[c:1]-[C:3](-[C:2])=[O:9].[N:4].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:10]	1	3053
+[c:1]-[C:3](-[C:2])-[N:4]=[N+:6]=[N-:5]>>[c:1]-[C:3](-[C:2])=[O:21].[N:4](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:7]:[c:20]:[c:19]:[c:18]:[c:17]:2	1	3054
+[c:1]-[C:3](-[C:2])-[N:4]>>[c:1]-[C:3](-[C:2])-[O:7].[N:4](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2	1	3055
+[c:1]-[C:3](-[C:2])-[N:4]>>[c:1]-[C:3](-[C:2])=[O:21].[N:4](=[N+:6]=[N-:5])-[P:8](=[O:9])(-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[c:16]:2:[c:7]:[c:20]:[c:19]:[c:18]:[c:17]:2	1	3056
+[c:1]-[C:4](-[N:3]-[C:2])=[O:5]>>[c:1]-[C:4](=[O:5])-[O:6]-[C:7].[C:2]-[N:3]	1	3057
+[c:1]-[C:5](-[C:3](-[N:2])=[O:4])=[C:6]-[N:7]-[c:8]>>[c:1]-[C:5]-[C:3](-[N:2])=[O:4].[N:7]-[c:8].[C:6](=[O:9])-[O:10]-[C:11]-[C:12]	1	3058
+[c:1]-[C:5](-[C:3](-[N:2])=[O:4])=[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[n:11]:1>>[c:1]-[C:5]-[C:3](-[N:2])=[O:4].[C:6](=[O:12])-[N:13](-[C:14])-[C:15].[c:7]:1:[c:8]:[c:9]:[c:10]:[n:11]:1	1	3059
+[c:1]-[C:5](-[N:4]-[C:3]-[c:2]:[c:7]:[n:8])=[O:6]>>[c:1]-[C:5](=[O:6])-[O:9].[c:2](-[C:3]#[N:4]):[c:7]:[n:8]	1	3060
+[c:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]>>[C:3]-[I:7].[C:4](=[O:5])(-[c:6])-[O:8].[c:1]-[N:2]	1	3061
+[c:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]>>[C:3]-[I:8].[C:4](=[O:5])(-[c:6])-[Cl:7].[c:1]-[N:2]	1	3062
+[c:1]-[N:2](-[C:3])-[S:4](=[O:5])(=[O:6])-[c:7]>>[C:3]-[I:9].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:8].[c:1]-[N:2]	1	3063
+[c:1]-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]>>[C:3](-[C:4])-[Br:11].[C:5]-[C:6]-[Br:10].[c:1]-[N:2]-[C:7](-[C:8])=[O:9]	1	3064
+[c:1]-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]>>[C:3](-[C:4])-[Br:9].[C:5]-[C:6]-[Br:10].[c:1]-[N+:2](=[O:7])-[O-:8]	2	3065,3066
+[c:1]-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]>>[C:3](-[C:4])-[Cl:10].[C:5]-[C:6]-[Cl:9].[c:1]-[N+:2](=[O:7])-[O-:8]	3	3067,3068,3069
+[c:1]-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]>>[c:1]-[N+:2](=[O:7])-[O-:8].[C:3](-[C:4])-[Cl:9].[C:5]-[C:6]-[Cl:10]	1	3070
+[c:1]-[N:2](-[C:3]-[C:4])-[S:5](-[C:6])(=[O:7])=[O:8]>>[c:1]-[N:2].[C:3](-[C:4])-[Br:10].[S:5](-[C:6])(=[O:7])(=[O:8])-[Cl:9]	1	3071
+[c:1]-[N:2](-[C:3]=[O:4])-[C:8](-[N:6](-[c:5])-[C:7])=[O:9]>>[C:7]-[I:20].[C:8](=[O:9])(-[O:10]-[C:11](-[Cl:12])(-[Cl:13])-[Cl:14])-[O:15]-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19].[c:1]-[N:2]-[C:3]=[O:4].[c:5]-[N:6]	1	3072
+[c:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[C:7]-1=[O:8]>>[C:3](=[O:4])(-[c:5]:[c:6]-[C:7](=[O:8])-[O:10])-[O:9].[c:1]-[N:2]	1	3073
+[c:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[C:7]-1=[O:8]>>[c:1]-[N+:2](=[O:9])-[O-:10].[C:3]-1(=[O:4])-[c:5]:[c:6]-[C:7](=[O:8])-[O:11]-1	1	3074
+[c:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[N:7](-[C:8])-[C:9]-1=[O:10]>>[C:8]-[I:24].[C:9](=[O:10])(-[O:14]-[C:15](-[Cl:16])(-[Cl:17])-[Cl:18])-[O:19]-[C:20](-[Cl:21])(-[Cl:22])-[Cl:23].[c:1]-[N:2].[C:3]-1(=[O:4])-[c:5]:[c:6]-[N:7]-[C:11](=[O:12])-[O:13]-1	1	3075
+[c:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[N:7]-[C:8]-1=[O:9]>>[C:8](=[O:9])(-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17])-[O:18]-[C:19](-[Cl:20])(-[Cl:21])-[Cl:22].[c:1]-[N:2].[C:3]-1(=[O:4])-[c:5]:[c:6]-[N:7]-[C:10](=[O:11])-[O:12]-1	1	3076
+[c:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[N:7]=[C:8]-1-[C:9]>>[C:8](-[C:9])(=[O:11])-[Cl:12].[C:3](=[O:4])(-[c:5]:[c:6]-[N:7])-[O:10].[c:1]-[N:2]	1	3077
+[c:1]-[N:2]-1-[C:3](=[S:4])-[N:5]-[C:6](=[O:7])-[C:8](=[C:9]-1-[N:10])-[N:11]=[O:14]>>[C:6](=[O:7])(-[C:8]-[C:9]#[N:10])-[O:12]-[C:13]-[C:15].[c:1]-[N:2]-[C:3](=[S:4])-[N:5].[N:11](-[O:14])=[O:16]	1	3078
+[c:1]-[N:2]-1-[C:3](=[S:4])-[N:5]-[C:6](=[O:7])-[C:8](=[C:9]-1-[N:10])-[N:11]>>[C:6](=[O:7])(-[C:8]-[C:9]#[N:10])-[O:12]-[C:13]-[C:14].[c:1]-[N:2]-[C:3](=[S:4])-[N:5].[N:11](-[O:15])=[O:16]	1	3079
+[c:1]-[N:2]-1-[C:3](=[S:4])-[N:5]-[C:6](=[O:7])-[c:8]:2:[c:9]-1:[n:10]:[c:11]:[n:12]:2>>[C:6](=[O:7])(-[C:8]-[C:9]#[N:10])-[O:13]-[C:14]-[C:15].[c:1]-[N:2]-[C:3](=[S:4])-[N:5].[N:12](-[O:16])=[O:17].[C:11](=[O:18])-[O:19]	1	3080
+[c:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-1=[O:7]>>[C:3](-[C:4]-[C:5]-[C:6](=[O:7])-[Cl:9])-[Cl:8].[c:1]-[N:2]	2	3081,3082
+[c:1]-[N:2]-1-[C:3]-[C:4]-[O:5]-[C:6]-1=[O:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3]-1-[C:4]-[O:5]-1.[C:6](=[O:7])(-[Cl:10])-[Cl:11]	1	3083
+[c:1]-[N:2]-1-[C:3]-[C:4]-[O:5]-[C:6]-1=[O:7]>>[c:1]-[N:2].[C:3]-1-[C:4]-[O:5]-1.[C:6](=[O:7])(-[Cl:8])-[Cl:9]	1	3084
+[c:1]-[N:2]-1-[C:3]-[N:4](-[c:5])-[C:6]-[C:7]-1=[O:8]>>[C:3]=[O:10].[c:1]-[N:2]-[C:7](-[C:6]-[Cl:9])=[O:8].[N:4]-[c:5]	1	3085
+[c:1]-[N:2]-1-[C:3]-[N:4](-[c:5])-[C:6]-[C:7]-1=[O:8]>>[C:3]=[O:9].[C:6](-[C:7](=[O:8])-[Cl:11])-[Cl:10].[c:1]-[N:2].[N:4]-[c:5]	1	3086
+[c:1]-[N:2]-1-[C:3]-[c:4]:[c:5]-[C:6]-1=[O:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](-[c:4]:[c:5]-[C:6](=[O:7])-[O:10]-[C:11]-[C:12])-[Br:13]	1	3087
+[c:1]-[N:2]-1-[C:3]-[c:4]:[c:5]-[C:6]-1=[O:7]>>[c:1]-[N:2].[C:3]-[c:4]:[c:5]-[C:6](=[O:7])-[O:10]-[C:9]-[C:8]	1	3088
+[c:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:8].[c:1]-[N+:2](=[O:6])-[O-:7]	2	3089,3090
+[c:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	2	3091,3092
+[c:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[O:8]-[C:9](-[C:10])=[O:11].[c:1]-[N+:2](=[O:6])-[O-:7]	4	3093,3094,3095,3096
+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[C:3](=[N:4]-[C:7](=[O:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)=[S:5].[c:1]-[N:2]	1	3097
+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[C:3](=[N:4]-[C:8](=[O:9])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)=[S:5].[c:1]-[N+:2](=[O:6])-[O-:7]	1	3098
+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[C:3](=[S:5])(-[Cl:6])-[Cl:7].[N:4].[c:1]-[N:2]	1	3099
+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[N:4]-[C:9](=[O:8])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)=[S:5]	2	3100,3101
+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[c:1]-[N:2].[C:3](=[N:4]-[C:7](=[O:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)=[S:5]	2	3102,3103
+[c:1]-[N:2]-[C:3](-[N:4]-[C:9]=[O:8])=[S:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[N:4]-[C:9]=[O:8])=[S:5]	2	3104,3105
+[c:1]-[N:2]-[C:3](-[c:4](:[c:5]):[n:6])=[O:7]>>[C:3](-[c:4](:[c:5]):[n:6])(=[O:7])-[O:8]-[C:9]-[C:10].[c:1]-[N:2]	2	3106,3107
+[c:1]-[N:2]-[C:3](-[c:4]:[c:6]:[n:5])=[O:7]>>[C:3](-[c:4]:[c:6]:[n:5])(=[O:7])-[O:8]-[C:9].[c:1]-[N:2]	1	3108
+[c:1]-[N:2]-[C:3](=[N:4])-[c:5](:[c:6]):[s:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[N:4])(-[c:5](:[c:6]):[s:7])-[S:10]-[C:11]	1	3109
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[N:8]>>[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[N:8])-[O:11].[c:1]-[N+:2](=[O:9])-[O-:10]	1	3110
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]-[N:6](-[C:7])-[C:8]>>[C:3](=[O:4])(-[C:5]-[Cl:9])-[Cl:10].[N:6](-[C:7])-[C:8].[c:1]-[N:2]	3	3111,3112,3113
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]=[O:6]>>[C:3](=[O:4])(-[C:5]=[O:6])-[Cl:9].[c:1]-[N+:2](=[O:7])-[O-:8]	1	3114
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](-[O:4])(-[C:5])=[O:8].[c:1]-[N+:2](=[O:6])-[O-:7]	1	3115
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:13].[c:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12]	1	3116
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	3	3117,3118,3119
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:16].[c:1]-[N:2]-[C:6](=[O:7])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	3120
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8].[c:1]-[N:2]	2	3121,3122
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6].[c:1]-[N:2]	2	3123,3124
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:8].[c:1]-[N+:2](=[O:6])-[O-:7]	10	3125,3126,3127,3128,3129,3130,3131,3132,3133,3134
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[C:5])-[Cl:8]	3	3135,3136,3137
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[C:5])-[O:8]	6	3138,3139,3140,3141,3142,3143
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[C:5])-[O:8]-[C:9]-[C:10]	1	3144
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[c:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]-[C:7]-[C:8]	1	3145
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[c:1]-[N:2].[N:5](-[C:6])-[C:7].[C:3](=[O:4])(-[O:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1)-[Cl:15]	1	3146
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[c:1]-[N:2]=[C:3]=[O:4].[N:5](-[C:6])(-[C:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	3147
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5](-[c:6](:[c:7]):[n:8])-[C:9](-[C:10])-[C:11]>>[C:9](-[C:10])(-[C:11])=[O:12].[c:1]-[N:2]=[C:3]=[O:4].[N:5]-[c:6](:[c:7]):[n:8]	1	3148
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[C:3](=[O:4])=[N:5]-[C:6].[c:1]-[N+:2](=[O:7])-[O-:8]	1	3149
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:1]-[N:2]=[C:3]=[O:4]	1	3150
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[C:3](=[O:4])(-[O:7]-[C:8](-[Cl:9])(-[Cl:10])-[Cl:11])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16].[c:1]-[N:2]	1	3151
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N+:2](=[O:7])-[O-:8].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:12]:[c:13]:[c:9]:[c:15]:[c:16]:1)-[Cl:14]	1	3152
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N+:2](=[O:7])-[O-:8].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:9]:[c:12]:[c:13]:[c:15]:[c:16]:1)-[Cl:14]	1	3153
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N:2].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1)-[Cl:14]	2	3154,3155
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N:2].[C:3](=[O:4])(-[O:8]-[C:10](-[C:7])=[C:9])-[Cl:11]	1	3156
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[C:3](=[O:4])=[N:5]-[C:6]	1	3157
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[N:5]-[C:6].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:12]:[c:13]:[c:9]:[c:15]:[c:16]:1)-[Cl:14]	1	3158
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[c:1]-[N:2].[N:5]-[C:6].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1)-[Cl:14]	1	3159
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[c:7]):[n:8]>>[N:5]-[c:6](:[c:7]):[n:8].[c:1]-[N:2].[C:3](=[O:4])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	2	3160,3161
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[c:9]:[n:8]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:1)-[Cl:17].[N:5]-[c:6](:[n:7]):[c:9]:[n:8]	1	3162
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:7])-[O-:8].[c:1]-[N:2]=[C:3]=[O:4]	2	3163,3164
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[N:5]-[c:6].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1)-[Cl:14].[c:1]-[N:2]	1	3165
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[C:3](=[O:4])=[N:5]-[c:6]	1	3166
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[c:1]-[N:2].[N:5]-[c:6].[C:3](=[O:4])(-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1)-[Cl:14]	1	3167
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]>>[C:3](=[O:4])(-[N:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	1	3168
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19].[c:1]-[N+:2](=[O:10])-[O-:11]	1	3169
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[c:1]-[N+:2](=[O:10])-[O-:11].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:13](-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18])=[O:19]	1	3170
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]>>[C:3](=[O:4])(-[O:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	3	3171,3172,3173
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[O:5])-[Cl:8]	6	3174,3175,3176,3177,3178,3179
+[c:1]-[N:2]-[C:3](=[O:4])-[O:7]>>[C:3](=[O:4])(-[O:7])-[Cl:8].[c:1]-[N+:2](=[O:5])-[O-:6]	1	3180
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:8]-[C:9].[c:1]-[N:2]	1	3181
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:10]	1	3182
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[O:8]-[C:9]	1	3183
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[Cl:10]	1	3184
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[O:10]	1	3185
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[O:8]-[C:9]	1	3186
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:8]	1	3187
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[Cl:10].[c:1]-[N+:2](=[O:8])-[O-:9]	1	3188
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:10]	2	3189,3190
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:10].[c:1]-[N+:2](=[O:8])-[O-:9]	1	3191
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:8]-[C:9].[c:1]-[N:2]	1	3192
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[s:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[s:7])-[O:8].[c:1]-[N:2]	1	3193
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[Cl:8].[c:1]-[N+:2](=[O:6])-[O-:7]	3	3194,3195,3196
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:12].[c:1]-[N:2]-[C:6](=[O:7])-[C:8](-[F:9])(-[F:10])-[F:11]	1	3197
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6]-[C:7].[c:1]-[N:2]	2	3198,3199
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6].[c:1]-[N:2]	2	3200,3201
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:8]-[C:9].[c:1]-[N+:2](=[O:6])-[O-:7]	1	3202
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:8].[c:1]-[N+:2](=[O:6])-[O-:7]	1	3203
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[c:5])-[Cl:8]	6	3204,3205,3206,3207,3208,3209
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3](=[O:4])(-[c:5])-[O:8]	6	3210,3211,3212,3213,3214,3215
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[N:2]-[C:6](-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])=[O:12].[C:3](=[O:4])(-[c:5])-[O:13]	1	3216
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]	1	3217
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[S:4])(-[Cl:10])-[Cl:11]	1	3218
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[c:1]-[N:2].[C:3](=[S:4])(-[Cl:8])-[Cl:9]	1	3219
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5]-[C:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[N:5]-[C:6].[C:3](=[S:4])(-[O:9]-[c:10]:1:[n:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[O:16]-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[n:22]:2	1	3220
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5]-[C:6]>>[c:1]-[N:2].[N:5]-[C:6].[C:3](=[S:4])(-[O:7]-[c:8]:1:[n:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)-[O:14]-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[n:20]:2	1	3221
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5]-[c:6]>>[C:3](=[S:4])=[N:5]-[c:6].[c:1]-[N+:2](=[O:7])-[O-:8]	1	3222
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:7])-[O-:8].[c:1]-[N:2]=[C:3]=[S:4]	1	3223
+[c:1]-[N:2]-[C:3](=[S:4])-[c:5]>>[c:1]-[N:2].[C:3](-[c:5])(=[O:27])-[Cl:28].[S:4]=[P:7]-1(-[S:8]-[P:9](-[c:10]:2:[c:11]:[c:12]:[c:13](-[O:14]-[C:15]):[c:16]:[c:17]:2)(=[S:18])-[S:19]-1)-[c:20]:3:[c:6]:[c:26]:[c:23](:[c:22]:[c:21]:3)-[O:24]-[C:25]	1	3224
+[c:1]-[N:2]-[C:3]-[C:4]-[O:5]>>[C:3]-1-[C:4]-[O:5]-1.[c:1]-[N+:2](=[O:6])-[O-:7]	1	3225
+[c:1]-[N:2]-[C:3]-[C:4]-[O:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3]-1-[C:4]-[O:5]-1	1	3226
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])(=[O:5])-[Cl:6].[c:1]-[N:2]	1	3227
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[c:1]-[N:2]	2	3228,3229
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])=[O:12].[c:1]-[N:2]-[C:5](-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])=[O:11]	1	3230
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])=[O:7].[c:1]-[N+:2](=[O:5])-[O-:6]	1	3231
+[c:1]-[N:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:7].[c:1]-[N+:2](=[O:5])-[O-:6]	3	3232,3233,3234
+[c:1]-[N:2]-[C:3]-[c:4]>>[C:3]-[c:4].[c:1]-[N:2]	1	3235
+[c:1]-[N:2]-[C:3]-[c:4]>>[c:1]-[N:2].[C:3](-[c:4])(=[O:5])-[Cl:6]	1	3236
+[c:1]-[N:2]-[C:3]=[C:4](-[C:5](=[O:6])-[N:7])-[c:8]>>[C:3](=[O:9])-[O:10]-[C:11]-[C:12].[C:4](-[C:5](=[O:6])-[N:7])-[c:8].[c:1]-[N:2]	1	3237
+[c:1]-[N:2]-[C:3]=[O:4]>>[c:1]-[N+:2](=[O:5])-[O-:6].[C:3](=[O:4])-[O:7]	1	3238
+[c:1]-[N:2]-[C:6](-[C:5]-[N:3]-[C:4])=[O:7]>>[N:3]-[C:4].[C:5](-[C:6](=[O:7])-[Cl:9])-[Cl:8].[c:1]-[N:2]	1	3239
+[c:1]-[N:2]-[C:6](-[C:5]-[N:3]-[c:4])=[O:7]>>[C:5](-[C:6](=[O:7])-[Cl:9])-[Cl:8].[c:1]-[N:2].[N:3]-[c:4]	1	3240
+[c:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:9].[c:1]-[N+:2](=[O:7])-[O-:8]	2	3241,3242
+[c:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:9]	10	3243,3244,3245,3246,3247,3248,3249,3250,3251,3252
+[c:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[c:1]-[N:2]-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:14]	1	3253
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[c:1]-[N+:2](=[O:10])-[O-:11].[S:3](=[O:4])(=[O:5])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:12]-[S:13](=[O:14])(=[O:15])-[C:16](-[F:17])(-[F:18])-[F:19]	1	3254
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[c:8]>>[c:6](:[c:7]):[c:8].[c:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[Cl:9])-[O:10]	1	3255
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:9].[c:1]-[N+:2](=[O:7])-[O-:8]	5	3256,3257,3258,3259,3260
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[c:1]-[N+:2](=[O:7])-[O-:8].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:9]	4	3261,3262,3263,3264
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[c:1]-[N:2]-[C:7](-[O:8]-[C:9]-[C:10]=[C:11])=[O:12].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:13]	1	3265
+[c:1]-[N:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:8].[c:1]-[N+:2](=[O:6])-[O-:7]	1	3266
+[c:1]-[N:2]-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]>>[c:1]-[N+:2](=[O:8])-[O-:9].[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:10]	1	3267
+[c:1]-[N:2]-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]>>[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:10].[c:1]-[N+:2](=[O:8])-[O-:9]	1	3268
+[c:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:10]	1	3269
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1>>[c:1]-[N:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1)-[O:10]	1	3270
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1)-[Cl:12].[c:1]-[N+:2](=[O:10])-[O-:11]	4	3271,3272,3273,3274
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1)-[O:10].[c:1]-[N:2]	3	3275,3276,3277
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[N+:2](=[O:9])-[O-:10].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	1	3278
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[N:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	2	3279,3280
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9].[c:1]-[N:2]	1	3281
+[c:1]-[N:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7](-[c:8](:[c:9]):[c:10]):[n:11]:1>>[c:1]-[N:2].[c:8](:[c:9])(:[c:10])-[B:13](-[O:14])-[O:15].[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:7](:[n:11]:1)-[Cl:12])-[Cl:16]	1	3282
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](-[C:6](-[N:7])=[O:8]):[c:9](-[N:10]-[C:11](=[O:12])-[c:13]):[s:14]:1>>[N:4]-[C:5](-[C:6](-[N:7])=[O:8])-[C:9]#[N:10].[C:11](=[O:12])(-[c:13])-[Cl:15].[c:1]-[N:2]=[C:3]=[S:14]	1	3283
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](-[C:6](=[O:7])-[O:8]):[c:9]:[s:10]:1>>[C:5](-[C:6](=[O:7])-[O:8])(-[C:9]-[Br:19])=[O:20].[c:1]-[N:2].[C:3](=[N:4]-[C:11](=[O:12])-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)=[S:10]	1	3284
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](-[N:6]):[c:7](-[C:8]=[O:9]):[s:10]:1>>[N:4]-[C:5]#[N:6].[C:7](-[C:8]=[O:9])-[Br:21].[C:3](=[S:10])(-[n:11]:1:[c:12]:[c:13]:[n:14]:[c:15]:1)-[n:16]:2:[c:17]:[c:18]:[n:19]:[c:20]:2.[c:1]-[N:2]	1	3285
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1-[C:10]):[c:8]>>[N+:4](-[c:5](:[c:6](:[c:7])-[N:9]-[C:10]):[c:8])(=[O:12])-[O-:13].[c:1]-[N:2]=[C:3]=[S:11]	1	3286
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:1]-[N+:2](=[O:9])-[O-:10].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:11]	4	3287,3288,3289,3290
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:11].[c:1]-[N+:2](=[O:9])-[O-:10]	3	3291,3292,3293
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:12].[c:1]-[N:2]-[C:9](-[C:10])=[O:11]	1	3294
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:10]-[C:9].[c:1]-[N:2]	2	3295,3296
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[o:7]:1>>[c:3]:1:[n:4]:[c:5]:[c:6]:[o:7]:1.[c:1]-[N:2]	1	3297
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:3](-[c:8](:[c:7](-[N:6]):[c:10]):[c:9])(=[O:11])-[O:12].[N:4]-[C:5]=[O:13].[c:1]-[N:2]	1	3298
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:4]-[C:5]=[O:11].[C:3](-[c:8](:[c:7](-[N+:6](=[O:14])-[O-:15]):[c:10]):[c:9])(=[O:12])-[O:13].[c:1]-[N:2]	1	3299
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[N+:2](=[O:9])-[O-:10].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	1	3300
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	1	3301
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11].[c:1]-[N+:2](=[O:9])-[O-:10]	1	3302
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9].[c:1]-[N:2]	1	3303
+[c:1]-[N:2]=[C:3]=[S:4]>>[C:3](=[S:4])(-[Cl:7])-[Cl:8].[c:1]-[N+:2](=[O:5])-[O-:6]	4	3304,3305,3306,3307
+[c:1]-[N:2]=[C:3]=[S:4]>>[c:1]-[N+:2](=[O:5])-[O-:6].[C:3](=[S:4])(-[Cl:7])-[Cl:8]	1	3308
+[c:1]-[N:2]=[C:3]=[S:4]>>[c:1]-[N+:2](=[O:5])-[O-:6].[C:3](=[S:4])(-[O:7]-[c:8]:1:[n:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)-[O:14]-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[n:20]:2	1	3309
+[c:1]-[N:3](-[C:2])-[N:4]>>[c:1]-[N:3]-[C:2].[N:4](=[O:5])-[O:6]	1	3310
+[c:1]-[N:4]-[C:2](-[c:3])=[O:5]>>[c:1]-[N:4].[C:2](-[c:3])(=[O:5])-[O:6]-[C:7]	1	3311
+[c:1]-[N:5]-[C:3](=[S:2])-[c:4]>>[C:3](-[c:4])(=[O:27])-[Cl:28].[c:1]-[N:5].[S:2]=[P:7]-1(-[S:8]-[P:9](-[c:10]:2:[c:11]:[c:12]:[c:13](-[O:14]-[C:15]):[c:16]:[c:17]:2)(=[S:18])-[S:19]-1)-[c:20]:3:[c:6]:[c:26]:[c:23](:[c:22]:[c:21]:3)-[O:24]-[C:25]	1	3312
+[c:1]-[N:6]-[S:3](-[N:2])(=[O:4])=[O:5]>>[c:1]-[N+:6](=[O:7])-[O-:8].[N:2]-[S:3](=[O:4])(=[O:5])-[Cl:9]	1	3313
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5](=[O:6])-[O:7]>>[C:3](-[C:4])(-[C:5](=[O:6])-[O:7])-[Br:9].[c:1]-[O:2]-[C:8]	1	3314
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[O:6].[c:1]-[O:2]	2	3315,3316
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[c:1]-[O:2]-[C:6].[C:3](-[C:4])(-[C:5])-[O:7]	1	3317
+[c:1]-[O:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[O:7]-[C:8](-[C:9])=[O:10].[c:1]-[O:2]-[C:6]	2	3318,3319
+[c:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:6].[c:1]-[O:2]	1	3320
+[c:1]-[O:2]-[C:3]-1(-[C:4](=[O:5])-[O:6])-[C:7]-[C:8]-1>>[C:3](-[C:4](=[O:5])-[O:6])(-[C:7]-[C:8]-[Br:9])-[Br:10].[c:1]-[O:2]	1	3321
+[c:1]-[O:2]-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:7](-[C:8](-[C:9])-[C:10](=[O:11])-[O:14])-[N:12]=[C:13]-1>>[C:8](-[C:9])(-[C:10](=[O:11])-[O:14])-[Br:15].[C:3]-1(=[C:4](-[C:5](=[O:6])-[N:7](-[N:12]=[C:13]-1)-[C:17]-2-[C:18]-[C:19]-[C:20]-[C:21]-[O:22]-2)-[Cl:16])-[Cl:23].[c:1]-[O:2]	1	3322
+[c:1]-[O:2]-[C:3]-[C:4](-[N:5])=[O:6]>>[c:1]-[O:2]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:3](-[C:4](-[N:5])=[O:6])-[I:14]	1	3323
+[c:1]-[O:2]-[C:3]-[C:4](=[O:5])-[N:6]-[c:7]>>[C:3](-[C:4](=[O:5])-[Cl:9])-[Cl:8].[c:1]-[O:2].[N:6]-[c:7]	1	3324
+[c:1]-[O:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])-[Br:8].[c:1]-[O:2]-[C:7]	1	3325
+[c:1]-[O:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[c:1]-[O:2]-[C:7].[C:3](-[C:4](=[O:5])-[O:6])-[Br:8]	1	3326
+[c:1]-[O:2]-[C:3]-[C:4]-[C:5]>>[c:1]-[O:2].[C:3]=[C:4]-[C:5]	1	3327
+[c:1]-[O:2]-[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[C:3](-[C:4]-[Br:11])(=[O:8])-[O:10]-[C:9].[N:5](-[C:6])-[C:7].[c:1]-[O:2]	1	3328
+[c:1]-[O:2]-[C:3]-[C:4]=[C:5](-[Cl:6])-[Cl:7]>>[C:3](-[C:4]=[C:5](-[Cl:6])-[Cl:7])-[Cl:16].[c:1]-[O:2]-[C:8](=[O:9])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	3329
+[c:1]-[O:2]-[C:3]-[C:4]=[O:5]>>[C:3](-[C:4]=[O:5])-[Br:13].[c:1]-[O:2]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	3330
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])(=[O:5])-[O:6]-[C:7]-[C:8].[c:1]-[O:2]	2	3331,3332
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])(=[O:5])-[O:6]-[C:7].[c:1]-[O:2]	1	3333
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:12].[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	4	3334,3335,3336,3337
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:12].[c:1]-[O:2]-[Si:5](-[C:6])(-[C:7])-[C:8](-[C:9])(-[C:10])-[C:11]	1	3338
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:6].[c:1]-[O:2]-[C:5]	7	3339,3340,3341,3342,3343,3344,3345
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Cl:12].[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	4	3346,3347,3348,3349
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Cl:6].[c:1]-[O:2]-[C:5]	4	3350,3351,3352,3353
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:12].[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	3	3354,3355,3356
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:5].[c:1]-[O:2]	2	3357,3358
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:6].[c:1]-[O:2]-[C:5]	3	3359,3360,3361
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2]-[C:5].[C:3](-[C:4])-[Br:6]	2	3362,3363
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2]-[C:5].[C:3](-[C:4])-[O:6]	1	3364
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2]-[Si:5](-[C:6](-[C:7])(-[C:8])-[C:9])(-[C:10])-[C:11].[C:3](-[C:4])-[O:12]	1	3365
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2].[C:3](-[C:4])(=[O:5])-[O:6]	1	3366
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2].[C:3](-[C:4])-[O:5]	4	3367,3368,3369,3370
+[c:1]-[O:2]-[C:3]-[O:4]>>[C:3](-[O:4])-[Cl:6].[c:1]-[O:2]-[C:5]	1	3371
+[c:1]-[O:2]-[C:3]-[c:4](:[c:5]:[o:6]):[n:7]>>[C:3](-[c:4](:[c:5]:[o:6]):[n:7])-[Cl:15].[c:1]-[O:2]-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	1	3372
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])-[Cl:14].[c:1]-[O:2]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	3373
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])-[O:7].[c:1]-[O:2]	1	3374
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[O:2]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[C:3](-[c:4](:[n:5]):[c:6])-[Cl:14]	1	3375
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[O:2]-[C:7].[C:3](-[c:4](:[n:5]):[c:6])-[Cl:8]	1	3376
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[O:2].[C:3](-[c:4](:[n:5]):[c:6])-[O:7]	2	3377,3378
+[c:1]-[O:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:3](-[c:4]:[c:5]:[n:6])(=[O:7])-[O:8]-[C:9].[c:1]-[O:2]	1	3379
+[c:1]-[O:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:3](-[c:4]:[c:5]:[n:6])-[O:7].[c:1]-[O:2]	1	3380
+[c:1]-[O:2]-[C:3]-[c:4]:[c:6]:[n:5]>>[C:3](-[c:4]:[c:6]:[n:5])(=[O:7])-[O:8]-[C:9].[c:1]-[O:2]	1	3381
+[c:1]-[O:2]-[C:3]-[c:4]:[c:6]:[n:5]>>[C:3](-[c:4]:[c:6]:[n:5])-[O:7].[c:1]-[O:2]	1	3382
+[c:1]-[O:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:12].[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	1	3383
+[c:1]-[O:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:12].[c:1]-[O:2]-[Si:5](-[C:6](-[C:7])(-[C:8])-[C:9])(-[C:10])-[C:11]	1	3384
+[c:1]-[O:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:6].[c:1]-[O:2]-[C:5]	3	3385,3386,3387
+[c:1]-[O:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:8].[c:1]-[O:2]-[C:5](-[C:6])=[O:7]	1	3388
+[c:1]-[O:2]-[C:3]-[c:4]>>[C:3]-[c:4].[c:1]-[O:2]	1	3389
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1.[C:3](-[c:4])-[Br:12]	1	3390
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2]-[C:5].[C:3](-[c:4])-[Br:6]	2	3391,3392
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2]-[C:5].[C:3](-[c:4])-[Cl:6]	1	3393
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2].[C:3](-[c:4])(-[O:5])=[O:6]	1	3394
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2].[C:3](-[c:4])-[O:5]	1	3395
+[c:1]-[O:2]-[C:3]>>[C:3]-[O:7]-[S:8](-[O:9]-[C:10])(=[O:11])=[O:12].[c:1]-[O:2]-[C:4](-[C:5])=[O:6]	1	3396
+[c:1]-[O:2]-[C:4]-[c:3]>>[c:1]-[O:2]-[C:5].[c:3]-[C:4]-[Br:6]	1	3397
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[c:1]-[O:2]-[C:10].[S:3](=[O:4])(=[O:5])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:11]-[S:12](=[O:13])(=[O:14])-[C:15](-[F:16])(-[F:17])-[F:18]	2	3398,3399
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1>>[S:3](=[O:4])(=[O:5])(-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1)-[Cl:14].[c:1]-[O:2]-[C:13]	1	3400
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1>>[c:1]-[O:2]-[C:13].[S:3](=[O:4])(=[O:5])(-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1)-[Cl:14]	1	3401
+[c:1]-[O:2]-[Si:3](-[C:4])(-[C:5])-[C:6]>>[Si:3](-[C:4])(-[C:5])(-[C:6])-[Cl:8].[c:1]-[O:2]-[C:7]	2	3402,3403
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[O:2]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[c:3](:[c:4])(:[c:5])-[B:13](-[O:14])-[O:15]	2	3404,3405
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[O:2]-[C:6].[c:3](:[c:4])(:[c:5])-[F:7]	1	3406
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[B:13](-[O:14])-[O:15].[c:1]-[O:2]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	3407
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[F:13].[c:1]-[O:2]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	2	3408,3409
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[F:7].[c:1]-[O:2]-[C:6]	1	3410
+[c:1]-[O:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:14].[c:1]-[O:2]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	3411
+[c:1]-[O:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:15].[c:1]-[O:2]-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	2	3412,3413
+[c:1]-[O:2]-[c:3]:1:[c:4](:[c:5](-[O:6]):[n:7]:[n:8]:[c:9]:1)-[Cl:10]>>[C:3]-1(=[C:4](-[C:5](=[O:6])-[N:7](-[N:8]=[C:9]-1)-[C:11]-2-[C:12]-[C:13]-[C:14]-[C:15]-[O:16]-2)-[Cl:10])-[Cl:17].[c:1]-[O:2]	1	3414
+[c:1]-[O:2]-[c:3]:1:[c:4]:[c:5](-[O:6]):[n:7]:[n:8]:[c:9]:1>>[C:3]-1(=[C:4](-[C:5](=[O:6])-[N:7](-[N:8]=[C:9]-1)-[C:11]-2-[C:12]-[C:13]-[C:14]-[C:15]-[O:16]-2)-[Cl:10])-[Cl:17].[c:1]-[O:2]	1	3415
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[n:9]>>[c:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[n:9])-[O:10]	1	3416
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	1	3417
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:8].[N:5](-[C:6])(-[C:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15]	1	3418
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6]-[c:7])-[c:8]>>[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:9].[C:6](-[c:7])=[O:10].[N:5]-[c:8]	1	3419
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6](-[C:7])-[c:8]>>[C:6](-[C:7])(-[c:8])=[O:10].[N:5].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:9]	1	3420
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6]>>[N:5](-[C:6])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	3421
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6]>>[N:5](-[C:6])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	3422
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:8])-[O-:9].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	3423
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[N:5](-[c:6])-[C:8](-[C:9](-[C:10])(-[C:11])-[C:12])=[O:13].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	3424
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7].[N+:5](-[c:6])(=[O:8])-[O-:9]	1	3425
+[c:1]-[S:2]-[C:3](-[C:4])-[C:5]>>[c:1]-[S:2].[C:3](-[C:4])(-[C:5])-[O:6]	1	3426
+[c:1]-[c:2]:1:[c:3](-[C:4]):[s:5]:[c:6](-[N:7]):[n:8]:1>>[S:5]=[C:6](-[N:7])-[N:8].[c:1]-[C:2](-[C:3]-[C:4])=[O:9]	1	3427
+[c:1]-[c:2]:1:[c:3](-[C:4]):[s:5]:[c:6](-[N:7]-[C:8](=[O:9])-[c:10]):[n:11]:1>>[S:5]=[C:6](-[N:7])-[N:11].[C:8](=[O:9])(-[c:10])-[Cl:12].[c:1]-[C:2](-[C:3]-[C:4])=[O:13]	1	3428
+[c:1]-[c:2]:1:[c:3](-[C:4]):[s:5]:[c:6](-[N:7]-[C:8](=[O:9])-[c:10]):[n:11]:1>>[S:5]=[C:6](-[N:7])-[N:11].[C:8](=[O:9])(-[c:10])-[Cl:14].[c:1]-[C:2](-[C:3](-[C:4])-[Br:12])=[O:13]	1	3429
+[c:1]-[c:2]:1:[c:3](-[N:4]):[n:5]:[n:6]:[c:7]:1-[C:8]>>[C:7](-[C:8])(=[O:9])-[O:10]-[C:11]-[C:12].[C:3]#[N:4].[N:5]-[N:6].[c:1]-[C:2](=[O:13])-[O:14]-[C:15]	1	3430
+[c:1]-[c:2]:1:[c:3](-[N:4]):[n:5]:[n:6]:[c:7]:1-[C:8]>>[c:1]-[C:2]-[C:3]#[N:4].[C:7](-[C:8])(=[O:9])-[O:10]-[C:11]-[C:12].[N:5]-[N:6]	1	3431
+[c:1]-[c:2]:1:[c:3](-[N:4]):[n:5]:[n:6]:[c:7]:1-[C:8]>>[c:1]-[C:2]-[Cl:9].[C:7](-[C:8])(=[O:10])-[O:11]-[C:12]-[C:13].[C:3]#[N:4].[N:5]-[N:6]	1	3432
+[c:1]-[c:2]:1:[c:3](-[N:4]):[n:5]:[n:6]:[c:7]:1-[C:8]>>[c:1]-[C:2]-[O:13].[C:7](-[C:8])(=[O:9])-[O:10]-[C:11]-[C:12].[C:3]#[N:4].[N:5]-[N:6]	1	3433
+[c:1]-[c:2]:1:[c:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[F:8]):[n:9]:[n:10]:1-[c:11]>>[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])(=[O:13])-[O:14]-[C:15]-[C:16].[N:9]-[N:10]-[c:11].[c:1]-[C:2](-[C:3])=[O:12]	1	3434
+[c:1]-[c:2]:1:[c:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[c:1]-[C:2]#[C:3]-[Si:9](-[C:10])(-[C:11])-[C:12].[c:4](:[c:5](:[c:6])-[O:8])(:[c:7])-[I:13]	1	3435
+[c:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[c:4]:1(:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10])-[Br:11].[c:1]-[C:2]#[C:3]	1	3436
+[c:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10].[c:1]-[C:2]#[C:3]	1	3437
+[c:1]-[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7]>>[N:5]-[N:6]-[C:7].[C:4](-[N:9](-[C:8])-[C:10])(-[O:12]-[C:13])-[O:14]-[C:15].[c:1]-[C:2](-[C:3])=[O:11]	1	3438
+[c:1]-[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[c:7](:[n:8]):[c:9]>>[N:5]-[N:6]-[c:7](:[n:8]):[c:9].[C:4](-[N:11](-[C:10])-[C:12])(-[O:14]-[C:15])-[O:16]-[C:17].[c:1]-[C:2](-[C:3])=[O:13]	1	3439
+[c:1]-[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[c:7](:[n:8]:[c:9]:[c:10]):[c:11]>>[c:1]-[C:2](-[C:3]=[C:4]-[N:12](-[C:13])-[C:14])=[O:15].[c:7](:[n:8]:[c:9]:[c:10])(:[c:11])-[Cl:16].[N:5]-[N:6]	1	3440
+[c:1]-[c:2]:1:[c:3]:[n:4](-[c:5](:[c:6]):[c:7]):[n:8]:[n:9]:1>>[N-:4]=[N+:8]=[N-:9].[c:5](:[c:6])(:[c:7])-[F:10].[c:1]-[C:2]#[C:3]	1	3441
+[c:1]-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1-[c:7](:[c:8]):[c:9]>>[c:1]-[C:2]-[C:6](=[O:10])-[O:11].[C:3](=[O:12])-[N:13](-[C:14])-[C:15].[c:7](:[c:8]):[c:9].[N:4]-[N:5]	1	3442
+[c:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[N:6]):[n:7]:1>>[S:4]=[C:5](-[N:6])-[N:7].[c:1]-[C:2](-[C:3])=[O:8]	2	3443,3444
+[c:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[c:6]):[n:7]:1>>[C:5](-[c:6])(-[N:7])=[O:31].[S:4]=[P:10]-1(-[S:11]-[P:12](-[c:13]:2:[c:14]:[c:15]:[c:16](-[O:17]-[C:18]):[c:19]:[c:20]:2)(=[S:21])-[S:22]-1)-[c:23]:3:[c:24]:[c:25]:[c:26](-[O:27]-[C:28]):[c:29]:[c:30]:3.[c:1]-[C:2](-[C:3]-[Br:8])=[O:9]	1	3445
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[o:9]:1>>[N:3]#[C-:4]~[Cu+:12].[N:8]-[O:9].[c:5](:[c:6])(:[c:7])-[Br:13].[c:1]-[C:2](=[O:10])-[O:11]	1	3446
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6](-[C:7]-[N:8]):[c:9](-[N:10]):[n:11]:1>>[C:6](-[C:7]#[N:8])-[C:9]#[N:10].[C:4](-[c:5])=[O:12].[c:1]-[C:2](=[N:3])-[N:11]	1	3447
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:3]#[C:4]-[c:5].[N:6]-[O:7].[c:1]-[C:2](=[O:8])-[O:9]	1	3448
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:6]-[O:7].[N:3]#[C:4]-[c:5].[c:1]-[C:2](=[O:8])-[Cl:9]	2	3449,3450
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:6]-[O:7].[N:3]#[C:4]-[c:5].[c:1]-[C:2](=[O:8])-[O:9]	1	3451
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[c:1]-[C:2](=[O:8])-[O:9].[N:6]-[O:7].[N:3]#[C:4]-[c:5]	2	3452,3453
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[N+:3](=[O:11])(-[O-:12])-[O:13].[c:1]-[C:2](=[O:9])-[O:10].[c:4](:[c:5](:[c:6])-[O:8]):[c:7]	1	3454
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[c:1]-[C:2](=[O:8])-[O:10].[N:3]-[c:4](:[c:5](:[c:6])-[O:9]):[c:7]	1	3455
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[c:1]-[C:2](=[O:9])-[O:10].[N+:3](-[c:4](:[c:5](:[c:6])-[O:8]):[c:7])(=[O:11])-[O-:12]	1	3456
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6](=[O:7])-[O:9]):[c:8]:1>>[C:5](-[C:6](=[O:7])-[O:9])(=[O:10])-[O:12]-[C:13]-[C:14].[N:3]-[N:4].[c:1]-[C:2](-[C:8])=[O:11]	1	3457
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[o:7]:1>>[C:5](-[C:6])(=[O:7])-[O:9].[c:1]-[C:2](-[N:3]-[N:4])=[O:8]	1	3458
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[o:7]:1>>[N:3]-[N:4]-[C:5](-[C:6])=[O:8].[c:1]-[C:2](=[O:7])-[O:9]	1	3459
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[c:1]-[C:2](=[O:8])-[Cl:9].[N:3]-[N:4]-[C:5](-[c:6])=[O:7]	2	3460,3461
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1>>[N:3]-[N:4].[C:5](-[N:8](-[C:7])-[C:9])(-[O:11]-[C:12])-[O:13]-[C:14].[c:1]-[C:2](-[C:6])=[O:10]	1	3462
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1>>[c:1]-[C:2](-[C:6])=[O:10].[N:3]-[N:4].[C:5](-[N:8](-[C:7])-[C:9])(-[O:11]-[C:12])-[O:13]-[C:14]	1	3463
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+[c:1]-[n:10]:1:[c:3](-[C:2]):[c:4](-[C:5](=[O:6])-[O:7]):[n:8]:[c:9]:1>>[C:4](-[C:5](=[O:6])-[O:7])-[N+:8]#[C-:9].[c:1]-[N+:10](=[O:12])-[O-:13].[C:2]-[C:3](=[O:11])-[O:14]-[C:15]	1	3467
+[c:1]-[n:2]:1:[c:3]:[c:4](-[c:5]:[c:7]:[n:6]):[n:8]:[n:9]:1>>[C:3](#[C:4]-[c:5]:[c:7]:[n:6])-[Si:10](-[C:11])(-[C:12])-[C:13].[c:1]-[N:2]=[N+:9]=[N-:8]	1	3468
+[c:1]-[n:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:1>>[C:3]-1(-[C:4]-[C:5]-[C:6](-[O:9]-1)-[O:10]-[C:11])-[O:12]-[C:13].[c:1]-[N+:2](=[O:7])-[O-:8]	1	3469
+[c:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[n:9]:[c:10]:1:2>>[C:3](-[O:13]-[C:14])(-[O:15]-[C:16])-[O:17]-[C:18].[c:1]-[N:2]-[c:10]:1:[c:5](-[N+:4](=[O:11])-[O-:12]):[c:6]:[n:7]:[c:8]:[n:9]:1	1	3470
+[c:1]-[n:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1>>[C:3](-[O:9]-[C:10]-[C:11])(-[O:12]-[C:13]-[C:14])-[O:15]-[C:16]-[C:17].[N-:4]=[N+:5]=[N-:6].[c:1]-[N+:2](=[O:7])-[O-:8]	1	3471
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+[c:1]:1(:[n:2]:[c:3](:[c:4]):[c:6](:[c:5]):[c:7]:[n:8]:1)-[Cl:9]>>[N:2]-[c:3](:[c:4]):[c:6](:[c:5])-[C:7](-[O:10])=[O:17].[Cl:9]-[P:11](=[O:12])(-[Cl:13])-[Cl:15].[C:1](-[N:8])(=[O:14])-[N:16]	1	3477
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+[c:1]:1(:[n:2]:[c:3]:[c:4](-[C:5](-[N:6])=[O:7]):[c:8]:[n:9]:1)-[O:15]-[n:14](:[c:11](:[c:10]):[c:12]):[n:13]>>[c:1]:1(:[n:2]:[c:3]:[c:4](-[C:5](=[O:7])-[O:16]-[C:18]-[C:19]):[c:8]:[n:9]:1)-[Cl:17].[N:6].[c:10]:[c:11](:[c:12]):[n:14](:[n:13])-[O:15]	1	3482
+[c:1]:1(:[n:2]:[c:3]:[c:4](-[c:5]):[o:6]:1)-[Cl:9]>>[Cl:9]-[C:18](-[C:19](-[Cl:20])(-[Cl:21])-[Cl:22])(-[Cl:23])-[Cl:24].[C:4](-[c:5])=[O:6].[C-:1]#[N+:2]-[C:3]-[S:7](-[c:8]:1:[c:10]:[c:11]:[c:12](-[C:13]):[c:14]:[c:15]:1)(=[O:16])=[O:17]	1	3483
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8])-[Cl:9]>>[C:1](-[c:6](:[c:5](-[N:4]):[c:8]):[c:7])(=[O:14])-[O:15].[Cl:9]-[P:10](=[O:11])(-[Cl:12])-[Cl:13].[N:2]-[C:3]=[O:16]	1	3484
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8])-[Cl:9]>>[Cl:9]-[P:11](=[O:12])(-[Cl:13])-[Cl:15].[N:2]-[C:3]=[O:10].[C:1](-[c:6](:[c:5](-[N+:4](=[O:17])-[O-:18]):[c:8]):[c:7])(=[O:14])-[O:16]	1	3485
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8])-[O:9]>>[N:2]-[C:3]=[O:10].[C:1](-[c:6](:[c:5](-[N+:4](=[O:12])-[O-:13]):[c:8]):[c:7])(=[O:9])-[O:11]	1	3486
+[c:1]:1-[C:2](=[O:3])-[N:4](-[C:5]-[C:7](-[N:6])=[O:8])-[C:9](=[O:10])-[c:11]:1>>[N:4]-[C:5]-[C:7](-[N:6])=[O:8].[c:1](-[C:2](=[O:3])-[O:12]):[c:11]-[C:9](=[O:10])-[O:13]-[C:14]	1	3487
+[c:1]:1-[C:2](=[O:3])-[N:4](-[C:5]-[C:7](-[N:6])=[O:8])-[C:9](=[O:10])-[c:11]:1>>[N:4]-[C:5]-[C:7](-[N:6])=[O:8].[c:1](-[C:2](=[O:3])-[O:12]-[C:14]):[c:11]-[C:9](=[O:10])-[O:13]	1	3488
+[c:1]:1-[C:2](=[O:3])-[N:4](-[c:5])-[C:6](=[O:7])-[c:8]:1>>[N+:4](-[c:5])(=[O:10])-[O-:11].[c:1]:1-[C:2](=[O:3])-[O:9]-[C:6](=[O:7])-[c:8]:1	1	3489
+[c:1]:1-[C:2]-[C:3]-[C:4](=[O:5])-[c:6]:1:[c:7]>>[c:1](-[C:2]=[C:3]-[C:4](=[O:5])-[O:8]):[c:6]:[c:7]	1	3490
+[c:1]:1-[C:2]-[N:3](-[c:4])-[C:5](=[O:6])-[c:7]:1>>[c:1](-[C:2]):[c:7]-[C:5](=[O:6])-[O:10]-[C:9]-[C:8].[N:3]-[c:4]	1	3491
+[c:1]:1-[N:2]-[C:3](=[O:4])-[C:5](=[O:6])-[N:7]-[c:8]:1>>[C:3](=[O:4])(-[C:5](=[O:6])-[O:11])-[O:12].[c:1](-[N+:2](=[O:9])-[O-:10]):[c:8]-[N:7]	1	3492
+[c:1]:1-[N:2]-[C:3](=[O:4])-[C:5](=[O:6])-[N:7]-[c:8]:1>>[c:1](-[N+:2](=[O:9])-[O-:10]):[c:8]-[N:7].[C:3](=[O:4])(-[C:5](=[O:6])-[O:11])-[O:12]	1	3493
+[c:1]:1:[c:2](-[C:3]#[N:4]):[c:5]:[n:6]:[c:7]:1>>[c:1]:1:[c:2]:[c:5]:[n:6]:[c:7]:1.[C:3](=[O:8])-[N:9](-[C:10])-[C:11].[N:4]	1	3494
+[c:1]:1:[c:2](-[C:3](-[C:5]=[C:4]-[N:10])=[O:11]):[s:6]:[c:7](:[c:8]:1):[c:9]>>[c:1]:1:[c:2]:[s:6]:[c:7](:[c:8]:1):[c:9].[C:3](-[C:5])(=[O:11])-[Cl:12].[C:4](-[N:10])(-[O:13]-[C:14])-[O:15]-[C:16]	1	3495
+[c:1]:1:[c:2](-[C:3]-[C:4]-[C:5]):[s:6]:[c:7]:[c:8]:1>>[C:3]#[C:4]-[C:5].[c:1]:1:[c:2](:[s:6]:[c:7]:[c:8]:1)-[Br:9]	1	3496
+[c:1]:1:[c:2](-[C:3]-[O:4]):[c:5]:[n:6]:[o:7]:1>>[c:1]:1:[c:2](-[C:3](-[O:4]-[C:9]-[C:10])=[O:8]):[c:5]:[n:6]:[o:7]:1	2	3497,3498
+[c:1]:1:[c:2](-[C:3]-[O:4]-[c:5]):[c:6]:[n:7]:[o:8]:1>>[c:1]:1:[c:2](-[C:3]-[O:9]):[c:6]:[n:7]:[o:8]:1.[O:4]-[c:5]	2	3499,3500
+[c:1]:1:[c:2](-[C:3]-[c:4]):[s:5]:[c:6]:[c:7]:1>>[C:3](-[c:4])=[O:8].[c:1]:1:[c:2]:[s:5]:[c:6]:[c:7]:1	1	3501
+[c:1]:1:[c:2](-[C:3]=[C:4](-[C:5](=[O:6])-[N:7])-[c:8]):[n:9]:[c:10]:[c:11]:1>>[c:1]:1:[c:2]:[n:9]:[c:10]:[c:11]:1.[C:4](-[C:5](=[O:6])-[N:7])-[c:8].[C:3](=[O:12])-[N:13](-[C:14])-[C:15]	2	3502,3503
+[c:1]:1:[c:2](-[N:3](-[C:4])-[C:5]):[n:6](-[c:7](:[c:8]):[c:9]):[c:10](:[c:11]):[c:12]:1>>[N:3](-[C:4])-[C:5].[c:1]:1:[c:2](:[n:6]:[c:10](:[c:11]):[c:12]:1)-[Cl:13].[c:7](:[c:8])(:[c:9])-[B:14](-[O:15])-[O:16]	1	3504
+[c:1]:1:[c:2](-[N:3](-[C:4])-[C:5]):[n:6]:[c:7]:[n:8]:[c:9]:1>>[N:3](-[C:4])-[C:5].[c:1]:1:[c:2](:[n:6]:[c:7]:[n:8]:[c:9]:1)-[O:10]	1	3505
+[c:1]:1:[c:2](-[N:3]-[c:4]):[c:5](:[c:6]:[o:9]:1):[c:8]:[n:7]>>[N+:3](-[c:4])(=[O:18])-[O-:19].[c:1]:1:[c:2](:[c:5](:[c:6]:[o:9]:1):[c:8]:[n:7])-[O:10]-[S:11](=[O:12])(-[C:13](-[F:14])(-[F:15])-[F:16])=[O:17]	1	3506
+[c:1]:1:[c:2](-[N:3]-[c:4]):[c:5]:[c:6]:[n:7]:[c:8]:1:[n:9]>>[c:1]:1:[c:2](:[c:5]:[c:6]:[n:7]:[c:8]:1:[n:9])-[O:10].[N:3]-[c:4]	1	3507
+[c:1]:1:[c:2](-[N:3]-[c:4]):[c:5]:[c:6]:[n:7]:[c:8]:1>>[c:1]:1:[c:2](:[c:5]:[c:6]:[n:7]:[c:8]:1)-[O:9].[N:3]-[c:4]	2	3508,3509
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[n:7]:[n:8]:1>>[c:1]:1:[c:2]:[c:6]:[n:7]:[n:8]:1.[c:3](:[c:4])(:[c:5])-[B:9](-[O:10])-[O:11]	1	3510
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[n:7]:[n:8]:1>>[c:3](:[c:4])(:[c:5])-[B:9](-[O:10])-[O:11].[c:1]:1:[c:2]:[c:6]:[n:7]:[n:8]:1	1	3511
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[n:6]:[c:7]:[n:8]:[c:9]:1>>[c:3](:[c:4])(:[c:5])-[B:10]-1-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15](-[O:16]-1)(-[C:17])-[C:18].[c:1]:1:[c:2](:[n:6]:[c:7]:[n:8]:[c:9]:1)-[O:19]	1	3512
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[o:6]:[c:7]:[c:8]:1>>[c:3](:[c:4])(:[c:5])-[B:9](-[O:10])-[O:11].[c:1]:1:[c:2]:[o:6]:[c:7]:[c:8]:1	1	3513
+[c:1]:1:[c:2](-[c:3]:2:[n:4]:[c:5](-[N:6]):[n:7]:[c:8]:[c:9]:2):[s:10]:[c:11](:[c:12]:1):[c:13]>>[c:1]:1:[c:2]:[s:10]:[c:11](:[c:12]:1):[c:13].[N:4]=[C:5](-[N:6])-[N:7].[C:8](-[O:14]-[C:19])(-[N:15](-[C:16])-[C:22])-[O:20]-[C:21].[C:3](-[C:9])(=[O:17])-[Cl:18]	1	3514
+[c:1]:1:[c:2](:[c:3]):[n:4](-[C:5]-[c:6]):[c:7]:2:[c:8]:1:[c:9](-[O:10]):[c:11]:[c:12]:[c:13]:2>>[c:1]:1:[c:2](:[c:3]):[n:4]:[c:7]-2:[c:8]:1-[C:9](=[O:10])-[C:11]-[C:12]-[C:13]-2.[C:5](-[c:6])-[Br:14]	1	3515
+[c:1]:1:[c:2](:[c:3]):[n:6](:[c:5]:[c:4]):[c:7]:[n:8]:1>>[C:1](-[c:2](:[c:3]):[n:6]:[c:5]:[c:4])-[N:8].[C:7](=[O:9])-[O:10]	1	3516
+[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[N:7]-[C:8]>>[N:7]-[C:8].[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[O:9]	2	3517,3518
+[c:1]:1:[c:2]:2:[c:3]:[c:4]:[n:5]:[c:6]:2:[c:7]:[n:8]:[c:9]:1>>[C:4](-[N:11](-[C:10])-[C:12])=[O:15].[c:1]:1:[c:2](-[C:3]):[c:6](-[N+:5](=[O:13])-[O-:14]):[c:7]:[n:8]:[c:9]:1	1	3519
+[c:1]:1:[c:2]:[c:3](-[C:4]-[C:5]):[c:6]:[n:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:6]:[n:7]:1.[C:4](-[C:5])(=[O:8])-[Cl:9]	1	3520
+[c:1]:1:[c:2]:[c:3](-[C:4]-[N:5](-[C:6])-[C:7]):[c:8]:[n:9]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[c:2]:[c:3]:[c:8]:[n:9]:1.[C:4](=[O:10])-[N:11](-[C:12])-[C:13]	1	3521
+[c:1]:1:[c:2]:[c:3](-[N:4](-[C:5])-[C:6]):[n:7]:[c:8]:[n:9]:1>>[N:4](-[C:5])-[C:6].[c:1]:1:[c:2]:[c:3](:[n:7]:[c:8]:[n:9]:1)-[O:10]	1	3522
+[c:1]:1:[c:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[n:8]:1>>[N:4]-[C:5].[c:1]:1:[c:2]:[c:3](:[n:6]:[c:7]:[n:8]:1)-[O:9]	1	3523
+[c:1]:1:[c:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[n:8]:1>>[c:1]:1:[c:2]:[c:3](:[n:6]:[c:7]:[n:8]:1)-[Cl:9].[N:4]-[C:5]	1	3524
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[n:7]:[n:8]:[c:9]:2>>[N:8](=[O:12])-[O:13].[c:1]:1:[c:2]:[c:3](:[c:4](:[c:5]:[n:6]:1)-[N+:7](=[O:10])-[O-:11])-[C:9]	1	3525
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[n:5]:[c:6](-[C:7]):[n:8]:2-[c:9]):[c:10]:[n:11]:1>>[C:6](-[C:7])(-[O:14]-[C:15](-[C:16])=[O:17])=[O:18].[c:1]:1:[c:2]:[c:3](:[c:4](-[N+:5](=[O:12])-[O-:13]):[c:10]:[n:11]:1)-[N:8]-[c:9]	1	3526
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5](=[O:6])-[N:7]-[C:8]):[n:9]:1>>[C:5](=[O:6])(-[C:11](-[Cl:10])(-[Cl:12])-[Cl:13])-[Cl:14].[N:7]-[C:8].[c:1]:1:[c:2]:[c:3]:[c:4]:[n:9]:1	1	3527
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[n:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:8]:1.[O:7]=[C:9](-[C:10])-[C:11].[C:5](=[O:6])(-[C:13](-[Cl:12])(-[Cl:14])-[Cl:15])-[Cl:16]	1	3528
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[s:8]:1.[C:5](=[O:6])-[N:9](-[C:10])-[C:11].[O:7]	1	3529
+[c:1]:1:[c:2]:[c:3]:[c:4](-[S:5](=[O:6])(=[O:7])-[N:8](-[C:9])-[C:10]):[s:11]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[s:11]:1.[S:5](=[O:6])(=[O:7])(-[Cl:12])-[O:13].[N:8](-[C:9])-[C:10]	1	3530
+[c:1]:1:[c:2]:[c:3]:[c:4](-[S:5](=[O:6])(=[O:7])-[N:8]):[s:9]:1>>[N:8].[S:5](=[O:6])(=[O:7])(-[Cl:10])-[Cl:11].[c:1]:1:[c:2]:[c:3]:[c:4]:[s:9]:1	1	3531
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:8]:1.[c:5](:[c:6])(:[c:7])-[B:9](-[O:10])-[O:11]	1	3532
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[N:7]):[s:8]:[c:9]:2:[n:10]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](-[N+:7](=[O:11])-[O-:12]):[c:9]:[n:10]:1.[N:5]#[C:6]-[S:8]	1	3533
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[N:7]-[C:8](=[O:9])-[C:10]):[s:11]:[c:12]:2:[n:13]:1>>[C:8](=[O:9])(-[C:10])-[Cl:14].[c:1]:1:[c:2]:[c:3]:[c:4](-[N:7]):[c:12]:[n:13]:1.[N:5]#[C:6]-[S:11]	1	3534
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[N:7]-[C:8](=[O:9])-[C:10]):[s:11]:[c:12]:2:[n:13]:1>>[C:8](=[O:9])(-[C:10])-[Cl:16].[c:1]:1:[c:2]:[c:3]:[c:4](-[N+:7](=[O:14])-[O-:15]):[c:12]:[n:13]:1.[N:5]#[C:6]-[S:11]	1	3535
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[c:7](:[n:8]):[c:9]):[n:10]:[c:11]:2:[n:12]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](-[N+:5](=[O:13])-[O-:14]):[c:11](-[N:10]):[n:12]:1.[C:6](-[c:7](:[n:8]):[c:9])=[O:15]	1	3536
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6]):[n:7]:1>>[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:7]:1)-[S:9]-[C:8].[N:6]	1	3537
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:1>>[N:6]-[C:7].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:8]:1)-[S:9]-[C:10]	1	3538
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[n:7]:[c:8](:[c:9]:2:[c:10]):[c:11]>>[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[c:6]:1-[N:7])-[c:9](:[c:8]:[c:11]):[c:10]	1	3539
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:2:[c:6](-[C:7]):[n:8]:[n:9]:[c:10]:1:2>>[C:6](-[C:7])(=[O:11])-[O:12].[c:1]:1:[c:2]:[c:3]:[n:9]:[n:5]:[c:10]:1-[N:4]-[N:8]	1	3540
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+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5])-[C:6]):[n:7]:[c:8]:1>>[C:4](-[C:5])(-[C:6])=[O:9].[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1	1	3542
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5])-[C:6]):[n:7]:[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1.[C:4](-[C:5])(-[C:6])-[O:9]	1	3543
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5]-[C:6]#[N:7])(-[C:8])-[C:9]):[n:10]:[c:11]:1>>[C:4](-[C:8])(-[C:9])=[O:12].[c:1]:1:[c:2]:[n:3]:[n:10]:[c:11]:1.[C:5](-[C:6]#[N:7])-[P:13](-[O:14]-[C:15]-[C:16])(=[O:17])-[O:18]-[C:19]-[C:20]	1	3544
+[c:1]:1:[c:2]:[n:3](-[C:4]-[c:5]):[c:6](:[c:7]):[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:6](:[c:7]):[c:8]:1.[C:4]-[c:5]	1	3545
+[c:1]:1:[c:2]:[n:3](-[C:4]-[c:5]):[n:6]:[c:7]:1>>[C:4](-[c:5])-[O:8].[c:1]:1:[c:2]:[n:3]:[n:6]:[c:7]:1	1	3546
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+[c:1]:1:[c:2]:[n:3]:[c:4](-[C:5]):[n:6]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:6]:1.[C:5]-[B:7]-1-[O:8]-[B:9](-[O:10]-[B:11](-[C:12])-[O:13]-1)-[C:14]	1	3550
+[c:1]:1:[c:2]:[n:3]:[c:4](-[C:5]=[C:6](-[C:7](=[O:8])-[N:9])-[c:10]):[c:11]:1>>[C:6](-[C:7](=[O:8])-[N:9])-[c:10].[C:5](=[O:12])-[N:13](-[C:14])-[C:15].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:11]:1	1	3551
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:[c:9]:1>>[N:5](-[C:6])(-[C:7])-[C:11](=[O:12])-[O:13]-[C:14]-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1.[c:1]:1:[c:2]:[n:3]:[c:4](:[n:8]:[c:9]:1)-[Cl:10]	1	3552
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[s:8]:1>>[N:5](-[C:6])(-[C:7])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:1]:1:[c:2]:[n:3]:[c:4](:[s:8]:1)-[Br:9]	1	3553
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]):[n:7]:[c:8]:1>>[N:5]-[C:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[S:10]-[C:9]	1	3554
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[Cl:9].[N+:5](-[c:6])(=[O:10])-[O-:11]	1	3555
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2):[n:11]:[c:12]:1>>[N+:5](-[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1)(=[O:14])-[O-:15].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:11]:[c:12]:1)-[Cl:13]	1	3556
+[c:1]:1:[c:2]:[n:3]:[c:4]-2:[c:5](:[n:6]:1)-[C:7]-[C:8]-[C:9]-[N:10]-2-[C:11]-[C:12]>>[C:11](-[C:12])=[O:13].[c:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5](:[n:6]:1):[c:7]:[c:8]:[c:9]:[n:10]:2	2	3557,3558
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[N:7]-[c:8]:[c:10]:[n:9]>>[N+:7](-[c:8]:[c:10]:[n:9])(=[O:12])-[O-:13].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[Cl:11]	1	3559
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[N:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[Cl:10].[N+:7](-[c:8])(=[O:9])-[O-:11]	1	3560
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[N:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[Cl:9].[N+:7](-[c:8])(=[O:10])-[O-:11]	1	3561
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:6](:[s:5]):[c:7]:1-[N:8]-[C:9]>>[N:8]-[C:9].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:6](:[s:5]):[c:7]:1-[O:10]	1	3562
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[C:7]#[C:8]>>[C:7](#[C:8])-[Si:9](-[C:10])(-[C:11])-[C:12].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:13]	1	3563
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[C:7]-[C:8]-[c:9]>>[C:7]#[C:8]-[c:9].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:10]	1	3564
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[C:7]-[C:8]-[c:9]>>[C:7](#[C:8]-[c:9])-[Si:10](-[C:11])(-[C:12])-[C:13].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:14]	1	3565
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7](-[C:8])-[C:9]>>[N:7](-[C:8])(-[C:9])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:10]	1	3566
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[C:8]>>[N:7]-[C:8].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:9]	2	3567,3568
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[S:8](=[O:9])(=[O:10])-[C:11]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:12].[N:7].[S:8](=[O:9])(=[O:10])(-[C:11])-[Cl:13]	1	3569
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[c:8](:[c:9]):[n:10]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:11].[N:7]-[c:8](:[c:9]):[n:10]	1	3570
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:9].[N:7]-[c:8]	2	3571,3572
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:9].[O:7]-[c:8]	1	3573
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:7]:1-[N:6]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:7]:1-[Cl:10].[N-:6]=[N+:9]=[N-:8]	1	3574
+[c:1]:1:[c:2]:[s:3]:[c:4]:2:[c:5]:1:[c:6](-[N:7]-[c:8]):[n:9]:[c:10]:[n:11]:2>>[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1-[C:6](=[O:12])-[O:13]-[C:14]-[C:15])-[N:11].[N:7]-[c:8].[N:9]-[C:10]=[O:16]	1	3575
+[c:1]:1:[c:2]:[s:3]:[c:4]:2:[c:5]:1:[c:6](:[n:7]:[c:8]:[n:9]:2)-[Cl:10]>>[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1-[C:6](=[O:15])-[O:16]-[C:17]-[C:18])-[N:9].[Cl:10]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[N:7]-[C:8]=[O:19]	1	3576
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[N:4](-[C:5])=[N+:10]=[N-:11].[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	1	3577
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[N:4]-[C:5].[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10]-[C:9]	3	3578,3579,3580
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10]-[C:9].[N:4]-[C:5]	2	3581,3582
+[c:1]:1:[n:2]:[c:3](-[N:4]-[c:5]):[n:6]:[c:7]:[c:8]:1>>[N+:4](-[c:5])(=[O:10])-[O-:11].[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	2	3583,3584
+[c:1]:1:[n:2]:[c:3](-[N:4]-[c:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[Cl:9].[N+:4](-[c:5])(=[O:10])-[O-:11]	1	3585
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5](-[c:6])-[C:7](-[F:8])(-[F:9])-[F:10]):[c:11]:[c:12]:[n:13]:1>>[C:7](-[F:8])(-[F:9])(-[F:10])-[Si:15](-[C:16])(-[C:17])-[C:18].[O:4]=[C:5]-[c:6].[c:1]:1:[n:2]:[c:3](:[c:11]:[c:12]:[n:13]:1)-[Cl:14]	1	3586
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5](-[c:6])-[C:7](-[F:8])(-[F:9])-[F:10]):[c:11]:[c:12]:[n:13]:1>>[C:7](-[F:8])(-[F:9])(-[F:10])-[Si:15](-[C:16])(-[C:17])-[C:18].[c:1]:1:[n:2]:[c:3](:[c:11]:[c:12]:[n:13]:1)-[Cl:14].[O:4]=[C:5]-[c:6]	1	3587
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5]):[c:6]:[c:7]:[n:8]:1>>[c:1]:1:[n:2]:[c:3](:[c:6]:[c:7]:[n:8]:1)-[O:9].[O:4]-[C:5]	1	3588
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10]-[C:9].[O:4]-[C:5]	1	3589
+[c:1]:1:[n:2]:[c:3](-[O:4]-[n:5](:[n:6]):[c:8](:[c:7]):[c:9]):[n:10]:[c:11]:[c:12]:1-[C:13](-[N:14])=[O:15]>>[c:1]:1:[n:2]:[c:3](:[n:10]:[c:11]:[c:12]:1-[C:13](=[O:15])-[O:16]-[C:18]-[C:19])-[Cl:17].[N:14].[O:4]-[n:5](:[n:6]):[c:8](:[c:7]):[c:9]	1	3590
+[c:1]:1:[n:2]:[c:3](-[n:4]:2:[c:5]:[n:6]:[c:7]:[c:8]:2):[n:9]:[c:10]:[c:11]:1>>[c:1]:1:[n:2]:[c:3](:[n:9]:[c:10]:[c:11]:1)-[O:12].[n:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1	1	3591
+[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]):[n:7]:2:[c:8]:[n:9]:[n:10]:[c:11]:1:2):[n:6]>>[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]):[n:7]:[c:11]:1-[Cl:12]):[n:6].[N:9]-[N:10].[C:8](-[O:13]-[C:14])(-[O:15]-[C:16])-[O:17]-[C:18]	1	3592
+[c:1]:1:[n:2]:[c:3]:2:[c:4](:[n:5]:[n:6]:[n:7]:2-[C:8]):[c:9]:[n:10]:1>>[c:1]:1:[n:2]:[c:3](:[c:4](-[N+:5](=[O:11])-[O-:12]):[c:9]:[n:10]:1)-[N:7]-[C:8].[N:6](=[O:13])-[O:14]	1	3593
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6](:[c:7]):[c:8])-[C:9]):[c:10]:1>>[C:5](-[C:9])(=[O:11])-[N:12](-[O:13]-[C:14])-[C:15].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:10]:1.[c:6](:[c:7])(:[c:8])-[Br:16]	1	3594
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6](:[c:7]):[c:8])-[C:9]):[c:10]:1>>[C:5](-[C:9])(=[O:11])-[O:13]-[C:14]-[C:15].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:10]:1.[c:6](:[c:7])(:[c:8])-[Br:12]	1	3595
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6](:[c:7]):[c:8])-[c:9]):[c:10]:1>>[C:5](-[c:9])=[O:11].[c:6](:[c:7])(:[c:8])-[Br:12].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:10]:1	1	3596
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6])-[C:7]):[c:8]:1>>[C:5](-[c:6])(-[C:7])=[O:9].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:8]:1	1	3597
+[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:[c:9]:1>>[N:5](-[C:6])(-[C:7])-[C:11](-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])=[O:17].[c:1]:1:[n:2]:[c:3]:[c:4](:[n:8]:[c:9]:1)-[Cl:10]	1	3598
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[c:9]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[n:8]:[c:9]:1)-[Br:10].[c:5](:[c:6])(:[c:7])-[Br:11]	1	3599
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[c:9]:1>>[c:5](:[c:6])(:[c:7])-[B:10](-[O:11])-[O:12].[c:1]:1:[n:2]:[c:3]:[c:4]:[n+:8](:[c:9]:1)-[O-:13]	1	3600
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[c:9]:1>>[c:5](:[c:6])(:[c:7])-[B:12](-[O:13])-[O:14].[c:1]:1:[n:2]:[c:3]:[c:4](:[n+:8](:[c:9]:1)-[O-:11])-[Cl:10]	1	3601
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[s:8]:1>>[c:5](:[c:6])(:[c:7])-[B:9]-1-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14](-[O:15]-1)(-[C:16])-[C:17].[c:1]:1:[n:2]:[c:3]:[c:4]:[s:8]:1	1	3602
+[c:1]:1:[n:2]:[c:3]:[c:4](:[n:5]:[c:6]:1)-[Cl:7]>>[Cl:7]-[P:9](=[O:10])(-[Cl:11])-[Cl:12].[c:1]:1:[n:2]:[c:3]:[c:4]:[n+:5](:[c:6]:1)-[O-:8]	1	3603
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[Cl:6]):[c:7]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:7]:1)-[O:12]-[C:13].[Cl:6]-[P:9](-[Cl:8])(=[O:10])-[Cl:11]	1	3604
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6](-[C:7])-[C:8]):[c:9]:1>>[N:6](-[C:7])-[C:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[O:10]	2	3605,3606
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6](-[C:7])-[C:8]):[n:9]:1>>[N:6](-[C:7])-[C:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:9]:1)-[O:10]	2	3607,3608
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]):[c:7]:1>>[N-:6]=[N+:9]=[N-:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:7]:1)-[Cl:10]	1	3609
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]):[n:7]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:7]:1)-[O:8].[N:6]	1	3610
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]-[N:7]=[C:8](-[C:9])-[c:10]):[n:11]:1>>[N:6]-[N:7].[C:8](-[C:9])(-[c:10])=[O:13].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:11]:1)-[Cl:12]	1	3611
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]-[c:7]):[c:8]:1>>[N+:6](-[c:7])(=[O:10])-[O-:11].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[Cl:9]	1	3612
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[c:8]:1:[s:9]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1:[s:9])-[Cl:10].[O:6]-[c:7]	1	3613
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[c:8]:1>>[O:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[O:9]	1	3614
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[n:8]:1>>[O:6](-[c:7])-[C:10].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:8]:1)-[Cl:9]	1	3615
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[n:8]:1>>[O:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:8]:1)-[O:9]	1	3616
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:6]:1)-[Cl:7]>>[Cl:7]-[P:8](=[O:9])(-[Cl:10])-[Cl:11].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:6]:1)-[O:12]-[C:13]	1	3617
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:[n:6]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:6]:1)-[O:7]	1	3618
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:8](-[C:7]#[C:5]-[C:6]):[c:9]:1>>[C:5](-[C:6])#[C:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:8]:[c:9]:1	1	3619
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[C:7]>>[C:6](-[C:7])-[O:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1	1	3620
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[C:7]>>[C:6](-[C:7])=[O:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1	1	3621
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[c:7]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1.[C:6]-[c:7]	1	3622
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[O:7]-[c:8]>>[O:7](-[c:8])-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1.[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[Cl:9]	1	3623
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[C:6]-[N:7]):[c:8]:1>>[C:6]#[N:7].[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[Cl:9]	1	3624
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[c:8]:1>>[N:6](-[C:7])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[Cl:9]	1	3625
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[c:8]:1>>[N:6]-[C:7].[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[O:9]	1	3626
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[N:6]-[c:7]):[c:8]:1>>[N:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[O:9]	1	3627
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[N:6]-[c:7]):[c:8]:1>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[Cl:9].[N+:6](-[c:7])(=[O:10])-[O-:11]	1	3628
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[S:6]-[c:7]):[c:8]:1>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[O:9].[S:6]-[c:7]	1	3629
+[c:1]:1:[n:2]:[n:3](-[C:4](-[C:5])-[C:6]):[c:7]:[c:8]:1>>[C:4](-[C:5])(-[C:6])-[O:9].[c:1]:1:[n:2]:[n:3]:[c:7]:[c:8]:1	1	3630
+[c:1]:1:[n:2]:[n:3](-[C:4]-[c:5]):[c:6]:[c:7]:1>>[c:1]:1:[n:2]:[n:3]:[c:6]:[c:7]:1.[C:4](-[c:5])-[O:8]	1	3631
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:1):[c:6]:[c:7](-[c:8]):[n:9]:[c:10]:2-[N:11]-[C:12]>>[N:11]-[C:12].[c:1]:1:[n:2]:[n:3]-2:[c:4](:[n:5]:1)-[C:6]=[C:7](-[c:8])-[N:9]-[C:10]-2=[O:13]	1	3632
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:[n:6]:[c:7]:2-[C:8]):[c:9]:[c:10]:1>>[C:7](-[C:8])(=[O:11])-[O:12].[c:1]:1:[n:2]:[n:3]:[c:4](-[N:5]-[N:6]):[c:9]:[c:10]:1	1	3633
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:[n:6]:[c:7]:2-[C:8]):[c:9]:[c:10]:1>>[C:7](-[C:8])(=[O:11])-[O:13]-[C:14].[N:5]-[N:6].[c:1]:1:[n:2]:[n:3]:[c:4](:[c:9]:[c:10]:1)-[Cl:12]	1	3634
+[c:1]:1:[n:2]:[n:3]:2:[c:4]:[c:5](-[c:6]):[n:7]:[c:8]:2:[c:9]:[c:10]:1>>[C:4]-[C:5](-[c:6])=[O:11].[c:1]:1:[n:2]:[n:3]:[c:8](-[N:7]):[c:9]:[c:10]:1	1	3635
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:8]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1.[c:6](:[c:7])(:[c:8])-[B:9](-[O:10])-[O:11]	1	3636
+[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[N:6]-[C:7](=[O:8])-[O:9]-[C:10]>>[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[C:7](=[O:8])-[O:27]-[C:28].[O:9]-[C:10].[N:6](=[N+:11]=[N-:12])-[P:13](=[O:14])(-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)-[c:21]:2:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:2	1	3637
+[c:1]:[c:12]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6](-[c:7](:[c:8]):[c:9]):[n:10]:[c:11]:1>>[c:1]:[c:12]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6]:[n:10]:[c:11]:1.[c:7](:[c:8])(:[c:9])-[B:13](-[O:14])-[O:15]	1	3638
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[B:3](-[O:4])(-[O:5])-[B:7]-1-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12](-[O:13]-1)(-[C:14])-[C:15].[c:1]:[c:2]:[c:6]	1	3639
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[B:3](-[O:4]-[C:8])(-[O:5]-[C:7])-[O:9]-[C:10].[c:1]:[c:2]:[c:6]	1	3640
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[B:3]-1(-[O:4]-[C:8](-[C:7])(-[C:9])-[C:10](-[O:5]-1)(-[C:11])-[C:12])-[B:13]-2-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18](-[O:19]-2)(-[C:20])-[C:21].[c:1]:[c:2](:[c:6])-[Br:22]	1	3641
+[c:1]:[c:2](-[Br:3]):[c:4]>>[Br:3].[c:1]:[c:2](:[c:4])-[N+:5](-[O-:6])=[O:7]	1	3642
+[c:1]:[c:2](-[Br:3]):[c:4]>>[Br:3].[c:1]:[c:2](:[c:4])-[N+:5](=[O:6])-[O-:7]	1	3643
+[c:1]:[c:2](-[C:3]#[C:4]):[c:5]>>[C:3](#[C:4])-[Si:7](-[C:8])(-[C:9])-[C:10].[c:1]:[c:2](:[c:5])-[Br:6]	3	3644,3645,3646
+[c:1]:[c:2](-[C:3]#[C:4]):[c:5]>>[C:3](#[C:4])-[Si:7](-[C:8])(-[C:9])-[C:10].[c:1]:[c:2](:[c:5])-[I:6]	3	3647,3648,3649
+[c:1]:[c:2](-[C:3]#[C:4]):[c:5]>>[C:3](#[C:4])-[Si:8](-[C:6])(-[C:9])-[C:10].[c:1]:[c:2](:[c:5])-[I:7]	1	3650
+[c:1]:[c:2](-[C:3]#[C:4]-[Si:7](-[C:6])(-[C:8])-[C:9]):[c:5]>>[C:3]#[C:4]-[Si:7](-[C:6])(-[C:8])-[C:9].[c:1]:[c:2]:[c:5]	1	3651
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[C-:3](#[N:4])~[Cu+:6].[c:1]:[c:2]:[c:5]	1	3652
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[C:3]#[N:4].[c:1]:[c:2](:[c:5])-[O:6]	1	3653
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[c:1]:[c:2]:[c:5].[C-:3](#[N:4])~[Cu+:6]	1	3654
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]:[c:6]:[c:7]>>[C:3](#[N:4])-[Si:8](-[C:9])(-[C:10])-[C:11].[c:1]:[c:2]:[n:5]:[c:6]:[c:7]	2	3655,3656
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]:[c:6]:[c:7]>>[C:3](#[N:4])-[Si:9](-[C:10])(-[C:11])-[C:12].[c:1]:[c:2]:[n+:5](:[c:6]:[c:7])-[O-:8]	1	3657
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]:[c:6]:[c:7]>>[c:1]:[c:2](:[n:5]:[c:6]:[c:7])-[O:8].[C:3]#[N:4]	1	3658
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]:[c:6]:[c:7]>>[c:1]:[c:2]:[n+:5](:[c:6]:[c:7])-[O-:8].[C:3](#[N:4])-[Si:9](-[C:10])(-[C:11])-[C:12]	1	3659
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]>>[N:4].[c:1]:[c:2](-[C:3](=[O:6])-[O:7]):[n:5]	2	3660,3661
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]>>[c:1]:[c:2](-[C:3](=[O:6])-[O:7]):[n:5].[N:4]	1	3662
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]>>[c:1]:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[n:5].[N:4]	2	3663,3664
+[c:1]:[c:2](-[C:3](-[C:4](-[C:5])-[Br:8])=[O:7]):[c:6]>>[Br:8].[C:3](-[C:4]-[C:5])(=[O:7])-[Cl:9].[c:1]:[c:2]:[c:6]	1	3665
+[c:1]:[c:2](-[C:3](-[C:4])-[C:5]):[c:6]>>[C:3](-[C:4])(-[C:5])=[O:7].[c:1]:[c:2](:[c:6])-[Br:8]	1	3666
+[c:1]:[c:2](-[C:3](-[C:4])-[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:8].[C:3](-[C:4])(-[c:5])=[O:7]	1	3667
+[c:1]:[c:2](-[C:3](-[N:4])=[N:5]-[O:6]):[c:7]>>[C-:3](#[N:4])~[Cu+:8].[N:5]-[O:6].[c:1]:[c:2](:[c:7])-[Br:9]	1	3668
+[c:1]:[c:2](-[C:3](-[N:4])=[O:6]):[n:5]>>[c:1]:[c:2](-[C:3](=[O:6])-[O:7]):[n:5].[N:4]	1	3669
+[c:1]:[c:2](-[C:3](-[O:4])(-[C:5])-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[C:3](-[O:4])(-[C:5])-[C:6]	1	3670
+[c:1]:[c:2](-[C:3](-[O:4])-[C:5]#[C:6]):[c:7]>>[C:3](=[O:4])-[N:8](-[C:9])-[C:10].[c:1]:[c:2](:[c:7])-[Br:11].[C:5](#[C:6])-[Mg:12]-[Br:13]	1	3671
+[c:1]:[c:2](-[C:3](-[c:4])-[O:6]):[c:5]>>[C:3](-[c:4])(=[O:6])-[Cl:7].[c:1]:[c:2]:[c:5]	2	3672,3673
+[c:1]:[c:2](-[C:3](=[C:4])-[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:8].[C:3](-[C:4])(-[c:5])=[O:7]	1	3674
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[C:3](-[C:4]-[C:5])(-[C:6])=[O:8].[c:1]:[c:2](:[c:7])-[Br:9]	1	3675
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[C:3](-[C:4]-[C:5])(-[C:6])=[O:8].[c:1]:[c:2](:[c:7])-[Mg:9]-[Br:10]	1	3676
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[C:3](-[C:4]-[C:5])(-[C:6])=[O:8].[c:1]:[c:2]:[c:7]	1	3677
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[C:3](=[C:4]-[C:5])(-[C:6])-[B:8]-1-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13](-[O:14]-1)(-[C:15])-[C:16].[c:1]:[c:2]:[c:7]	1	3678
+[c:1]:[c:2](-[C:3](=[O:4])-[C:5](-[Br:6])-[C:7]):[c:8]>>[Br:6]-[Br:10].[C:3](=[O:4])(-[C:5]-[C:7])-[Cl:9].[c:1]:[c:2]:[c:8]	1	3679
+[c:1]:[c:2](-[C:3](=[O:4])-[C:5]):[c:6]>>[C:3](=[O:4])(-[C:5])-[O:7].[c:1]:[c:2]:[c:6]	1	3680
+[c:1]:[c:2](-[C:3](=[O:4])-[C:5]-[C:6](-[N:7]-[C:8](-[C:9])=[O:10])(-[C:11](=[O:12])-[O:13])-[C:14](=[O:15])-[O:16]):[c:17]>>[C:3](=[O:4])(-[C:5]-[Cl:18])-[Cl:19].[C:6](-[N:7]-[C:8](-[C:9])=[O:10])(-[C:11](=[O:12])-[O:13])-[C:14](=[O:15])-[O:16].[c:1]:[c:2]:[c:17]	1	3681
+[c:1]:[c:2](-[C:3](=[O:4])-[Cl:5]):[c:6]>>[C:3](=[C:14])-[Sn:15](-[C:16]-[C:17]-[C:18]-[C:19])(-[C:20]-[C:21]-[C:22]-[C:23])-[C:24]-[C:25]-[C:26]-[C:27].[Cl:5]-[S:11](=[O:12])-[Cl:13].[O:4]=[Os:7](=[O:8])(=[O:9])=[O:10].[c:1]:[c:2](:[c:6])-[I:28]	1	3682
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[n:8]>>[N:5](-[C:6])-[C:7].[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[n:8]	1	3683
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[n:8]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[n:8].[N:5](-[C:6])-[C:7]	1	3684
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[O:7]):[n:8]>>[N:5](-[C:6])-[O:7].[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]):[n:8]	1	3685
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5](-[O:6])-[C:7]):[n:8]>>[N:5](-[O:6])-[C:7].[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]):[n:8]	1	3686
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[c:1]:[c:2](:[c:7])-[Br:8].[C:3](=[O:4])-[N:9](-[C:10])-[C:11]	1	3687
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]:[n:8]>>[N:5]-[C:6].[c:1]:[c:2](:[n:7]:[n:8])-[Cl:9].[C:3](=[O:4])(-[O:10])-[O:11]	1	3688
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]>>[N:5]-[C:6].[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[n:7]	2	3689,3690
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]>>[N:5]-[C:6].[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]-[C:10]):[n:7]	1	3691
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[s:7]>>[N:5](-[C:6])(-[C:9](-[C:10])(-[C:11])-[C:12])-[C:13](=[O:14])-[O:15].[c:1]:[c:2](-[C:3](=[O:4])-[O:8]):[s:7]	1	3692
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+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-[C:8](-[N:7])=[O:9]):[n:10]>>[N:5]-[C:6]-[C:8](-[N:7])=[O:9].[c:1]:[c:2](-[C:3](=[O:4])-[O:11]-[C:12]-[C:13]):[n:10]	1	3697
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-[C:8](-[N:7])=[O:9]):[n:10]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:11]):[n:10].[N:5](-[C:6]-[C:8](-[N:7])=[O:9])-[C:12](=[O:13])-[O:14]-[C:15]-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1	1	3698
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[n:7]>>[N:5]-[c:6].[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]-[C:10]):[n:7]	1	3699
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+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[n:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]-[C:10]):[n:7].[N:5]-[c:6]	1	3701
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[o:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[o:7].[N:5]-[c:6]	1	3702
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+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])(-[c:5])-[O:7].[c:1]:[c:2]:[c:6]	1	3709
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])(-[c:5])-[O:8].[c:1]:[c:2](:[c:6])-[Br:7]	1	3710
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])-[c:5].[c:1]:[c:2](:[c:6])-[Br:7]	2	3711,3712
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+[c:1]:[c:2](-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-1):[c:10]>>[C:3]-1(=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-1)-[I:12].[c:1]:[c:2](:[c:10])-[Br:11]	1	3719
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+[c:1]:[c:2](-[C:3]-[C:4]-[C:5]):[c:6]>>[C:3]#[C:4]-[C:5].[c:1]:[c:2](:[c:6])-[Br:7]	3	3726,3727,3728
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+[c:1]:[c:2](-[C:3]-[Cl:4]):[n:5]>>[Cl:4]-[S:6](=[O:7])-[Cl:8].[c:1]:[c:2](-[C:3]=[O:9]):[n:5]	1	3733
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+[c:1]:[c:2](-[C:3]-[Cl:5]):[n:4]>>[c:1]:[c:2](-[C:3]-[O:9]-[C:10](-[C:11])=[O:12]):[n:4].[Cl:5]-[S:7](-[Cl:6])=[O:8]	1	3735
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[C:3](=[O:8])-[N:9](-[C:10])-[C:11].[c:1]:[c:2](:[c:7])-[Br:12]	1	3736
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[c:1]:[c:2]:[c:7].[C:3](=[O:8])-[N:9](-[C:10])-[C:11]	1	3737
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]>>[N:4](-[C:5])-[C:6].[c:1]:[c:2](-[C:3]-[O:8]):[n:7]	2	3738,3739
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[s:7]>>[N:4](-[C:5])-[C:6].[c:1]:[c:2](-[C:3]-[O:8]):[s:7]	2	3740,3741
+[c:1]:[c:2](-[C:3]-[N:4]):[c:5]>>[C:3]#[N:4].[c:1]:[c:2](:[c:5])-[Br:6]	1	3742
+[c:1]:[c:2](-[C:3]-[N:4]):[n:5]>>[N-:4]=[N+:7]=[N-:6].[c:1]:[c:2](-[C:3]-[Br:8]):[n:5]	1	3743
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+[c:1]:[c:2](-[C:3]-[O:5]):[c:4]>>[C:3](=[O:5])-[N:6](-[C:7])-[C:8].[c:1]:[c:2](:[c:4])-[Br:9]	1	3753
+[c:1]:[c:2](-[C:3]-[O:5]):[n:4]>>[O:5]=[Se:6]=[O:7].[c:1]:[c:2](-[C:3]):[n:4]	1	3754
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+[c:1]:[c:2](-[C:3]-[S:4]-[c:5]:1:[n:6]:[c:7](:[c:8](:[c:9]):[n:11]:1):[c:10]):[n:12]>>[c:1]:[c:2](-[C:3]-[O:13]):[n:12].[S:4]=[C:5]-1-[N:6]-[c:7](:[c:8](:[c:9])-[N:11]-1):[c:10]	1	3756
+[c:1]:[c:2](-[C:3]-[S:4]-[c:5]:1:[n:6]:[c:7](:[c:8](:[c:9]):[n:11]:1):[c:10]):[n:12]>>[c:1]:[c:2](-[C:3]-[O:13]-[C:14](-[C:15])=[O:16]):[n:12].[S:4]=[C:5]-1-[N:6]-[c:7](:[c:8](:[c:9])-[N:11]-1):[c:10]	1	3757
+[c:1]:[c:2](-[C:3]-[c:4]):[c:5]>>[C:3](-[c:4])(=[O:6])-[Cl:7].[c:1]:[c:2]:[c:5]	1	3758
+[c:1]:[c:2](-[C:3]-[c:4]):[c:5]>>[C:3](-[c:4])(=[O:6])-[O:7].[c:1]:[c:2]:[c:5]	1	3759
+[c:1]:[c:2](-[C:3]-[c:4]):[c:5]>>[C:3](-[c:4])=[O:6].[c:1]:[c:2](:[c:5])-[Mg:7]-[Br:8]	1	3760
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+[c:1]:[c:2](-[C:3]=[N:4]-[O:5]):[c:6]>>[C:3](=[O:7])-[N:8](-[C:9])-[C:10].[c:1]:[c:2]:[c:6].[N:4]-[O:5]	1	3766
+[c:1]:[c:2](-[C:3]=[N:4]-[O:5]):[n:6]>>[N:4]-[O:5].[c:1]:[c:2](-[C:3]-[O:7]):[n:6]	2	3767,3768
+[c:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[C:3](=[C:10])-[Sn:11](-[C:12]-[C:13]-[C:14]-[C:15])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23].[O:4]=[Os:6](=[O:7])(=[O:8])=[O:9].[c:1]:[c:2](:[c:5])-[I:24]	1	3769
+[c:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[C:3](=[O:4])-[N:6](-[C:7])-[C:8].[c:1]:[c:2]:[c:5]	1	3770
+[c:1]:[c:2](-[C:3]=[O:4]):[n:5]>>[c:1]:[c:2](-[C:3]-[O:4]-[C:6](-[C:7])=[O:8]):[n:5]	1	3771
+[c:1]:[c:2](-[C:3]=[O:5]):[n:4]>>[c:1]:[c:2](-[C:3](=[O:5])-[O:6]-[C:7]):[n:4]	2	3772,3773
+[c:1]:[c:2](-[C:3]=[O:5]):[n:4]>>[c:1]:[c:2](-[C:3](=[O:5])-[O:6]-[C:7]-[C:8]):[n:4]	1	3774
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+[c:1]:[c:2](-[Cl:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N+:5](-[O-:6])=[O:7].[Cl:3]	2	3776,3777
+[c:1]:[c:2](-[Cl:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N+:5](=[O:6])-[O-:7].[Cl:3]	1	3778
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+[c:1]:[c:2](-[I:3]):[c:4]>>[I:3]-[I:5].[c:1]:[c:2](:[c:4])-[N+:6](=[O:7])-[O-:8]	1	3780
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+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]:[n:7]>>[N:3](-[C:4])-[C:5].[c:1]:[c:2](:[c:6]:[n:7])-[N:8]	1	3786
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]>>[N:3](-[C:4])(-[C:5])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[c:1]:[c:2](:[c:6])-[Br:7]	1	3787
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]>>[N:3](-[C:4])(-[C:5])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14].[c:1]:[c:2](:[c:6])-[F:7]	1	3788
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]>>[N:3](-[C:4])(-[C:5])-[C:8](=[O:9])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1.[c:1]:[c:2](:[c:6])-[Br:7]	1	3789
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]>>[N:3](-[C:4])(-[C:5])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1.[c:1]:[c:2](:[c:6])-[Br:7]	1	3790
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]>>[N:3](-[C:4])-[C:5].[c:1]:[c:2](:[c:6])-[O:7]	1	3791
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]>>[N:3](-[C:4])-[C:5].[c:1]:[c:2]:[c:6]	1	3792
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[N:3](-[C:4])(-[C:5])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	3793
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[n:6]:[n:7]>>[N:3](-[C:4])(-[C:5])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[c:1]:[c:2](:[n:6]:[n:7])-[Cl:8]	1	3794
+[c:1]:[c:2](-[N:3](-[C:4])-[S:5](=[O:6])(=[O:7])-[c:8]):[c:9]>>[N:3]-[C:4].[c:1]:[c:2](:[c:9])-[Cl:10].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:11]	1	3795
+[c:1]:[c:2](-[N:3]):[c:4]:[n:5]>>[c:1]:[c:2]:[c:4]:[n:5].[N+:3](=[O:6])(-[O-:7])-[O:8]	1	3796
+[c:1]:[c:2](-[N:3]):[c:4]>>[N+:3](-[O:5])(-[O-:6])=[O:7].[c:1]:[c:2]:[c:4]	5	3797,3798,3799,3800,3801
+[c:1]:[c:2](-[N:3]):[c:4]>>[N+:3](=[O:5])(-[O-:6])-[C:7].[c:1]:[c:2]:[c:4]	1	3802
+[c:1]:[c:2](-[N:3]):[c:4]>>[N+:3](=[O:5])(-[O-:6])-[O:7].[c:1]:[c:2]:[c:4]	5	3803,3804,3805,3806,3807
+[c:1]:[c:2](-[N:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[Br:12].[N:3]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1	1	3808
+[c:1]:[c:2](-[N:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[C:5](=[O:6])-[O:7].[N:3](=[N+:8]=[N-:9])-[P:10](=[O:11])(-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)-[c:18]:2:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:2	1	3809
+[c:1]:[c:2](-[N:3]):[c:4]>>[c:1]:[c:2]:[c:4].[N+:3](-[O:5])(-[O-:6])=[O:7]	4	3810,3811,3812,3813
+[c:1]:[c:2](-[N:3]):[c:4]>>[c:1]:[c:2]:[c:4].[N+:3](=[O:5])(-[O-:6])-[C:7]	1	3814
+[c:1]:[c:2](-[N:3]):[c:4]>>[c:1]:[c:2]:[c:4].[N+:3](=[O:5])(-[O-:6])-[O:7]	4	3815,3816,3817,3818
+[c:1]:[c:2](-[N:3]):[c:4]>>[c:1]:[c:2]:[c:4].[N+:3](=[O:5])(-[O:6])-[O-:7]	1	3819
+[c:1]:[c:2](-[N:3]-[C:4](-[C:5])-[C:6]):[c:7]>>[C:4](-[C:5])(-[C:6])=[O:9].[c:1]:[c:2](:[c:7])-[F:8].[N:3]	1	3820
+[c:1]:[c:2](-[N:3]-[C:4](-[C:5])=[O:6]):[c:7]>>[C:4](-[C:5])(=[O:6])-[O:8]-[C:9](-[C:10])=[O:11].[c:1]:[c:2]:[c:7].[N+:3](=[O:12])(-[O-:13])-[O:14]	1	3821
+[c:1]:[c:2](-[N:3]-[C:4](-[C:5])=[O:6]):[c:7]>>[c:1]:[c:2]:[c:7].[N+:3](=[O:9])(-[O-:10])-[O:11].[C:4](-[C:5])(=[O:6])-[Cl:8]	1	3822
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+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[n:9]>>[N:6](-[C:7])(-[C:8])-[C:26](-[O:27]-[C:28](-[C:29])(-[C:30])-[C:31])=[O:32].[c:1]:[c:2](-[N:3](-[C:4](=[O:5])-[O:19]-[c:20]:1:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:1)-[C:11](=[O:10])-[O:12]-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2):[n:9]	1	3825
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[n:9]>>[N:6](-[C:7])-[C:8].[c:1]:[c:2](-[N:3](-[C:4](=[O:5])-[O:19]-[c:20]:1:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:1)-[C:11](=[O:10])-[O:12]-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2):[n:9]	1	3826
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+[c:1]:[c:2](-[O:3]-[C:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1.[O:3]-[C:4]	2	3857,3858
+[c:1]:[c:2](-[O:3]-[C:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[O:6]-[C:7].[O:3]-[C:4]	1	3859
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+[c:1]:[c:2](-[O:3]-[C:4]-[C:5]):[c:6]>>[O:3]=[C:4](-[C:5])-[O:8].[c:1]:[c:2](:[c:6])-[O:7]	1	3864
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+[c:1]:[c:2](-[O:3]-[c:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[N:6].[O:3]-[c:4]	1	3872
+[c:1]:[c:2](-[O:3]-[c:4]):[n:5]:[c:6]:[c:7]>>[c:1]:[c:2](:[n:5]:[c:6]:[c:7])-[Cl:8].[O:3](-[c:4])-[C:9]	1	3873
+[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[N:6](-[C:7])-[C:8]):[c:9]>>[N:6](-[C:7])-[C:8].[S:3](=[O:4])(=[O:5])(-[Cl:10])-[O:11].[c:1]:[c:2]:[c:9]	1	3874
+[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[N:6]-[C:7]):[c:8]>>[N:6]-[C:7].[S:3](=[O:4])(=[O:5])(-[Cl:9])-[O:10].[c:1]:[c:2]:[c:8]	1	3875
+[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[N:6]-[C:7]):[c:8]>>[N:6]-[C:7].[c:1]:[c:2]:[c:8].[S:3](=[O:4])(=[O:5])(-[Cl:9])-[O:10]	1	3876
+[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[N:6]-[C:7]):[c:8]>>[S:3](=[O:4])(-[O:5])(-[Cl:9])=[O:10].[N:6]-[C:7].[c:1]:[c:2]:[c:8]	1	3877
+[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[N:6]-[c:7]):[c:8]>>[N:6]-[c:7].[S:3](=[O:4])(=[O:5])(-[Cl:9])-[O:10].[c:1]:[c:2]:[c:8]	1	3878
+[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[N:6]-[c:7]):[c:8]>>[S:3](=[O:4])(=[O:5])(-[Cl:9])-[O:10].[N:6]-[c:7].[c:1]:[c:2]:[c:8]	1	3879
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[n:7]>>[c:1]:[c:2](:[c:6]:[n:7])-[Br:8].[c:3](:[c:4])(:[c:5])-[Br:9]	5	3880,3881,3882,3883,3884
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[n:7]>>[c:1]:[c:2](:[c:6]:[n:7])-[Br:8].[c:3](:[c:4]):[c:5]	1	3885
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[c:3](:[c:4])(:[c:5])-[Br:8]	3	3886,3887,3888
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[c:3](:[c:4])(:[c:5])-[I:8]	1	3889
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[c:3](:[c:4])(:[c:5])-[O:8]-[S:9](=[O:10])(=[O:11])-[C:12](-[F:13])(-[F:14])-[F:15]	1	3890
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:8].[c:3](:[c:4])(:[c:5])-[Br:7]	2	3891,3892
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[N:7].[c:3](:[c:4])(:[c:5])-[B:8](-[O:9])-[O:10]	1	3893
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2]:[c:6].[c:3](:[c:4])(:[c:5])-[B:7](-[O:8])-[O:9]	5	3894,3895,3896,3897,3898
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2]:[c:6].[c:3](:[c:4])(:[c:5])-[B:8](-[O:7])-[O:9]	1	3899
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[Br:7].[c:1]:[c:2](:[c:6])-[Br:8]	4	3900,3901,3902,3903
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[Br:8].[c:1]:[c:2](:[c:6])-[Br:7]	1	3904
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[N:7].[c:1]:[c:2](:[c:6])-[B:8](-[O:9])-[O:10]	1	3905
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[n:6]:[c:7]:[c:8]>>[c:3](:[c:4])(:[c:5])-[Br:9].[c:1]:[c:2](:[n:6]:[c:7]:[c:8])-[Cl:10]	1	3906
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[n:6]:[n:7]>>[c:3](:[c:4])(:[c:5])-[Br:8].[c:1]:[c:2](:[n:6]:[n:7])-[Cl:9]	1	3907
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[c:5]:[n:7]):[c:8]>>[c:3](:[c:4])(:[c:6]:[c:5]:[n:7])-[Br:9].[c:1]:[c:2](:[c:8])-[Br:10]	1	3908
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:1]:[c:2](:[c:7])-[O:8].[c:3](:[c:4])(:[c:6]:[n:5])-[B:9](-[O:10])-[O:11]	1	3909
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:8].[c:1]:[c:2](:[c:7])-[Br:9]	3	3910,3911,3912
+[c:1]:[c:2](-[c:3](:[c:4]):[n+:7](:[c:6]:[c:5])-[O-:8]):[c:9]>>[c:1]:[c:2](:[c:9])-[B:10](-[O:11])-[O:12].[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:13].[O:8]-[O:14]-[C:15](=[O:16])-[c:17]:1:[c:18]:[c:19]:[c:20]:[c:21](-[Cl:22]):[c:23]:1	1	3913
+[c:1]:[c:2](-[c:3](:[c:4]):[n:6]:[n:5]):[c:7]>>[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:9].[c:1]:[c:2](:[c:7])-[Br:8]	1	3914
+[c:1]:[c:2](-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]):[c:8]>>[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:10].[c:1]:[c:2](:[c:8])-[Br:9]	1	3915
+[c:1]:[c:2](-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]):[c:8]>>[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:17].[c:1]:[c:2](:[c:8])-[O:9]-[S:10](-[C:11](-[F:12])(-[F:13])-[F:14])(=[O:15])=[O:16]	1	3916
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:9].[c:3](:[c:4]:[n:5])(:[c:6])-[Br:8]	1	3917
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:6]):[c:7]>>[c:3](:[c:4]:[n:5])(:[c:6])-[Br:8].[c:1]:[c:2](:[c:7])-[Br:9]	3	3918,3919,3920
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:10].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:9]	3	3921,3922,3923
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:10]	1	3924
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:9].[c:1]:[c:2](:[c:8])-[Br:10]	1	3925
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:10].[c:1]:[c:2](:[c:8])-[Br:9]	1	3926
+[c:1]:[c:2](-[c:3]:1:[c:4](-[C:5]):[s:6]:[c:7](-[N:8]):[n:9]:1):[c:10]>>[C:3](-[C:4]-[C:5])(=[O:11])-[Cl:12].[S:6]=[C:7](-[N:8])-[N:9].[c:1]:[c:2]:[c:10]	1	3927
+[c:1]:[c:2](-[c:3]:1:[c:4](-[C:5]):[s:6]:[c:7](-[N:8]-[C:9](=[O:10])-[c:11]):[n:12]:1):[c:13]>>[C:3](-[C:4]-[C:5])(=[O:14])-[Cl:15].[S:6]=[C:7](-[N:8])-[N:12].[C:9](=[O:10])(-[c:11])-[Cl:16].[c:1]:[c:2]:[c:13]	1	3928
+[c:1]:[c:2](-[c:3]:1:[c:4](-[c:5]):[n:6]:[c:7](-[C:8]):[s:9]:1):[n:10]>>[N:6]-[C:7](-[C:8])=[S:9].[c:1]:[c:2](-[C:3]):[n:10].[C:4](-[c:5])(=[O:11])-[O:12]-[C:13]	1	3929
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]:[n:10]>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Sn:11](-[C:12]-[C:13]-[C:14]-[C:15])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23].[c:1]:[c:2]:[c:9]:[n:10]	1	3930
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5](-[C:6]):[n:7]:[n:8]:1):[n:9]>>[c:1]:[c:2](-[C:3]#[C:4]-[Si:10](-[C:11])(-[C:12])-[C:13]):[n:9].[N:5](-[C:6])=[N+:7]=[N-:8]	1	3931
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1):[c:9]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1)-[Br:10].[c:1]:[c:2](:[c:9])-[Br:11]	1	3932
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[B:9]-1-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14](-[O:15]-1)(-[C:16])-[C:17].[c:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1	1	3933
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[O:10]-[S:11](=[O:12])(=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17].[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:1)-[Br:9]	1	3934
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1):[c:8]>>[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:1)-[I:9].[c:1]:[c:2](:[c:8])-[Br:10]	1	3935
+[c:1]:[c:2](-[c:3]:1:[c:4]:[s:5]:[c:6]:[c:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:10].[c:3]:1(:[c:4]:[s:5]:[c:6]:[c:7]:1)-[Br:9]	1	3936
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](-[N:6]):[n:7]:[c:8]:[c:9]:1):[s:10]>>[c:1]:[c:2](-[C:3](-[C:9])=[O:14]):[s:10].[N:4]=[C:5](-[N:6])-[N:7].[C:8](-[N:12](-[C:11])-[C:13])(-[O:15]-[C:16])-[O:17]-[C:18]	1	3937
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]):[n:10]>>[c:1]:[c:2](-[C:3](=[O:11])-[O:12]-[C:13]-[C:14]):[n:10].[N:4]-[c:5](:[c:6](:[c:7])-[N:9]):[c:8]	1	3938
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[c:8]:[n:9]:1):[c:10]:[n:11]>>[c:1]:[c:2](:[c:10]:[n:11])-[Br:12].[c:3]:1(:[n:4]:[c:5](:[c:6]):[c:7]:[c:8]:[n:9]:1)-[Cl:13]	1	3939
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:[c:9]:1):[c:10]>>[c:3]:1(:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:[c:9]:1)-[O:14].[c:1]:[c:2](:[c:10])-[B:11](-[O:12])-[O:13]	1	3940
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Br:11].[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1)-[Br:10]	1	3941
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Br:10].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	3	3942,3943,3944
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[I:10].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	1	3945
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5](-[C:6]):[c:7]:2:[c:8]:1:[c:9]:[n:10]:[c:11]:[c:12]:2):[c:13]>>[C:3]-1(-[N:4]-[N:5](-[C:6])-[c:7]:2:[c:8]-1:[c:9]:[n:10]:[c:11]:[c:12]:2)=[O:23].[c:1]:[c:2](:[c:13])-[B:14]-1-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19](-[O:20]-1)(-[C:21])-[C:22]	1	3946
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[s:7]:1):[c:8]>>[c:3]:1(:[n:4]:[n:5]:[c:6]:[s:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[Br:10]	1	3947
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4](-[B:5](-[O:6])-[O:10]-[C:11](-[C:12])-[C:13])-[C:7](-[C:8])-[C:9].[c:1]:[c:2](:[c:3])-[Br:14]	1	3948
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4](-[B:5](-[O:6])-[O:8]-[C:9])-[C:7].[c:1]:[c:2](:[c:3])-[Br:10]	1	3949
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-1-[B:5](-[O:6]-[C:8]-[C:9](-[C:10]-1)(-[C:11])-[C:12])-[B:13]-2-[O:14]-[C:15]-[C:16](-[C:17])(-[C:18])-[C:19]-[O:20]-2.[c:1]:[c:2](:[c:3])-[Br:7]	1	3950
+[c:1]:[c:2](:[c:3])-[Br:4]>>[Br:4].[c:1]:[c:2](:[c:3])-[N+:5](=[O:6])-[O-:7]	2	3951,3952
+[c:1]:[c:2](:[c:3])-[C:5](-[N:4])-[c:6]>>[c:1]:[c:2]:[c:3].[N:4]-[C:5](-[c:6])=[O:7]	1	3953
+[c:1]:[c:2](:[c:3])-[C:6](-[N:5]-[C:4])-[c:7]>>[c:1]:[c:2]:[c:3].[C:4]-[N:5].[C:6](-[c:7])(=[O:8])-[Cl:9]	1	3954
+[c:1]:[c:2](:[c:3])-[C:6](=[N:5]-[C:4])-[c:7]>>[c:1]:[c:2]:[c:3].[C:4]-[N:5].[C:6](-[c:7])(=[O:8])-[Cl:9]	1	3955
+[c:1]:[c:2](:[c:3])-[C:6]-[C:5]=[C:4]>>[C:4]=[C:5]-[C:6]-[Br:7].[c:1]:[c:2]:[c:3]	1	3956
+[c:1]:[c:2](:[c:3])-[I:4]>>[c:1]:[c:2](:[c:3])-[N+:5](=[O:6])-[O-:7].[I:4]	2	3957,3958
+[c:1]:[c:2](:[c:3])-[N:4]>>[N+:4](-[O-:5])(=[O:6])-[O:7].[c:1]:[c:2]:[c:3]	2	3959,3960
+[c:1]:[c:2](:[c:3])-[N:4]>>[N+:4](=[O:5])(-[O-:6])-[O:7].[c:1]:[c:2]:[c:3]	2	3961,3962
+[c:1]:[c:2](:[c:3])-[N:4]>>[c:1]:[c:2]:[c:3].[N+:4](-[O-:5])(=[O:6])-[O:7]	1	3963
+[c:1]:[c:2](:[c:3])-[N:4]>>[c:1]:[c:2]:[c:3].[N+:4](-[O:5])(-[O-:6])=[O:7]	1	3964
+[c:1]:[c:2](:[n:3]:[c:4](-[Cl:5]):[c:6]):[c:7]>>[Cl:5]-[P:8](=[O:9])(-[Cl:10])-[Cl:11].[c:1]:[c:2](:[n+:3](:[c:4]:[c:6])-[O-:12]):[c:7]	1	3965
+[c:1]:[c:2](:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[c:8]):[c:9]>>[N:5](-[C:6])-[C:7].[c:1]:[c:2](:[n:3]:[c:4](:[c:8])-[O:10]):[c:9]	1	3966
+[c:1]:[c:2](:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]):[c:9]>>[c:1]:[c:2](:[n:3]:[c:4](:[c:8])-[Cl:10]):[c:9].[c:5](:[c:6])(:[c:7])-[Br:11]	1	3967
+[c:1]:[c:2](:[n:3]:[c:4](:[c:5])-[Cl:7]):[c:6]>>[Cl:7]-[P:9](-[Cl:10])(-[Cl:11])=[O:12].[c:1]:[c:2](:[n+:3](:[c:4]:[c:5])-[O-:8]):[c:6]	2	3968,3969
+[c:1]:[c:2](:[n:3]:[c:4](:[c:5])-[O:7]):[c:6]>>[O:7]=[C:9](-[C:10])-[O:11]-[C:12](-[C:13])=[O:14].[c:1]:[c:2](:[n+:3](:[c:4]:[c:5])-[O-:8]):[c:6]	1	3970
+[c:1]:[c:2]-1:[c:3]-[N:4]-[C:5](=[O:6])-[C:7]-[C:8]-1(-[C:9])-[C:10]>>[C:5](=[O:6])(-[C:7]=[C:8](-[C:9])-[C:10])-[Cl:11].[c:1]:[c:2]:[c:3]-[N:4]	1	3971
+[c:1]:[c:2]:1-[C:3](-[O:4])=[C:5](-[C:6](=[O:7])-[N:8]-[C:9]-[C:10](=[O:11])-[O:12])-[C:13](=[O:14])-[C:15]-[c:16]:1>>[c:1]:[c:2]:[c:16]-[C:15]-[C:13](-[C:5](-[C:3](=[O:4])-[O:20]-[C:21]-[C:22])-[C:6](=[O:7])-[O:19]-[C:18]-[C:17])=[O:14].[N:8]-[C:9]-[C:10](=[O:11])-[O:12]	1	3972
+[c:1]:[c:2]:1-[C:3](=[O:5])-[C:8](=[O:4])-[N:7]-[c:6]:1>>[C:3](-[O:4])(-[C:8](-[Cl:10])(-[Cl:11])-[Cl:12])-[O:13].[c:1]:[c:2]:[c:6]-[N:7].[O:5]-[N:9]	1	3973
+[c:1]:[c:2]:1:[c:3](-[O:4]):[n:5]:[c:6](-[c:7]):[n:8]:[c:9]:1:[c:10]>>[C:6](-[c:7])-[O:11].[c:1]:[c:2](-[C:3](=[O:4])-[N:5]):[c:9](-[N:8]):[c:10]	1	3974
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[Cl:6]):[n:7]:[n:8]:[c:9]:1-[C:10]>>[Cl:6]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[N:7]-[N:8].[c:1]:[c:2](:[c:3](:[c:4])-[C:5](=[O:15])-[O:16])-[C:9](-[C:10])=[O:17]	1	3975
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[N:6]-[C:7]):[n:8]:[n:9]:[c:10]:1-[c:11]>>[N:6]-[C:7].[N:8]-[N:9].[c:1]:[c:2](:[c:3](:[c:4])-[C:5](=[O:12])-[O:13])-[C:10](-[c:11])=[O:14]	1	3976
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[O:6]):[n:7]:[n:8]:[c:9]:1-[c:10]>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5](=[O:6])-[O:12])-[Br:13].[N:7]-[N:8].[C:9](-[c:10])(=[O:11])-[N:14](-[O:15]-[C:16])-[C:17]	1	3977
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](:[n:6]:[n:7]:[c:8]:1-[c:9])-[Cl:10]>>[Cl:10]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[N:6]-[N:7].[c:1]:[c:2](:[c:3](:[c:4])-[C:5](=[O:15])-[O:16])-[C:8](-[c:9])=[O:17]	1	3978
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5]:[n:6]:[n:7]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5])-[N+:7](=[O:8])-[O-:9].[N:6](=[O:10])-[O:11]	1	3979
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]):[n:13]:[c:14]:1-[N:15]>>[C:6](=[O:7])(-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])-[O:17]-[C:18](-[O:19]-[C:20](-[C:21])(-[C:22])-[C:23])=[O:24].[c:1]:[c:2](:[c:3](:[c:4])-[F:16])-[C:14]#[N:15].[N:5]-[N:13]	1	3980
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6]):[c:7](-[C:8]):[n:9]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5]-[C:6])-[N+:9](=[O:10])-[O-:11].[C:7](-[C:8])(=[O:12])-[Cl:13]	1	3981
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6]):[c:7](-[c:8]):[n:9]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5]-[C:6])-[N+:9](=[O:10])-[O-:11].[C:7](-[c:8])=[O:12]	1	3982
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[C:7]):[n:8]:1-[C:9]-[C:10]>>[C:9](-[C:10])=[O:12].[c:1]:[c:2](:[c:3](:[c:4])-[N:5]-[C:6](-[C:7])=[O:11])-[N:8]	1	3983
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[S:7]-[C:8]-[c:9](:[n:10]):[c:11]):[n:12]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N:12].[C:8](-[c:9](:[n:10]):[c:11])-[Cl:14].[C:6](=[S:7])=[S:13]	1	3984
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[c:7]:[c:9]:[n:8]):[n:10]:1-[C:11]>>[c:1]:[c:2](:[c:3](:[c:4])-[N+:5](=[O:12])-[O-:13])-[N:10]-[C:11].[C:6](-[c:7]:[c:9]:[n:8])=[O:14]	1	3985
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[c:7]:[c:9]:[n:8]):[o:10]:1>>[C:6](-[c:7]:[c:9]:[n:8])(=[O:11])-[O:12].[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[O:10]	1	3986
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[n:7]:[c:8]:1-[Cl:9]>>[c:1]:[c:2]-1:[c:3](:[c:4])-[N:5]=[C:6]-[N:7](-[C:8]-1=[O:14])-[C:15]-[O:16]-[C:17](-[C:18](-[C:19])(-[C:20])-[C:21])=[O:22].[Cl:9]-[P:11](-[Cl:10])(=[O:12])-[Cl:13]	1	3987
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[n:7]:[c:8]:1-[N:9]-[c:10](:[c:11]):[n:12]>>[c:1]:[c:2]-1:[c:3](:[c:4])-[N:5]=[C:6]-[N:7](-[C:8]-1=[O:13])-[C:14]-[O:15]-[C:16](-[C:17](-[C:18])(-[C:19])-[C:20])=[O:21].[N:9]-[c:10](:[c:11]):[n:12]	1	3988
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[C:7](=[O:8])-[O:10]):[c:9]:1>>[C:6](-[C:7](=[O:8])-[O:10])-[Br:12].[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[C:9]=[O:11]	1	3989
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[C:7]):[n:8]:1>>[O:5]=[C:6](-[C:7])-[O:10].[c:1]:[c:2](:[c:3](:[c:4])-[O:9])-[N:8]	1	3990
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[c:7]):[n:8]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[N:8].[C:6](-[c:7])(=[O:9])-[O:10]	1	3991
+[c:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:1-[C:8]-[c:9]>>[c:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:1-[S:10](=[O:11])(=[O:12])-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2.[C:8](-[c:9])-[Br:19]	1	3992
+[c:1]:[c:2]:1:[c:3](:[s:4]:[c:5](-[c:6]):[n:7]:1):[c:8]>>[C:5](-[c:6])(=[O:30])-[Cl:31].[c:1]:[c:2](:[c:3]:[c:8])-[N:7].[S:4]=[P:10]-1(-[S:11]-[P:12](-[c:13]:2:[c:14]:[c:15]:[c:16](-[O:17]-[C:18]):[c:19]:[c:20]:2)(=[S:21])-[S:22]-1)-[c:23]:3:[c:9]:[c:29]:[c:26](:[c:25]:[c:24]:3)-[O:27]-[C:28]	1	3993
+[c:1]:[c:2]:1:[c:3](:[s:4]:[c:5](-[c:6]):[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:3]:[c:8])-[N:7]-[C:5](-[c:6])=[O:9].[S:4]=[P:10]-1(-[S:11]-[P:12](-[c:13]:2:[c:14]:[c:15]:[c:16](-[O:17]-[C:18]):[c:19]:[c:20]:2)(=[S:21])-[S:22]-1)-[c:23]:3:[c:24]:[c:25]:[c:26](-[O:27]-[C:28]):[c:29]:[c:30]:3	1	3994
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[s:6]:1>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5](:[s:6]:1)-[C:8](=[O:7])-[O:9]-[C:10]	1	3995
+[c:1]:[c:2]:1:[n:3]:[c:4](-[Cl:5]):[c:6]:[c:7]:[c:8]:1:[c:9]>>[Cl:5]-[P:10](=[O:11])(-[Cl:12])-[Cl:13].[c:1]:[c:2]:1-[N+:3](-[C:4](-[C:6]=[C:7]-[c:8]:1:[c:9])=[O:14])-[O-:15]	1	3996
+[c:1]:[c:2]:1:[n:3]:[c:4](-[Cl:5]):[n:6]:[c:7](-[c:8]):[c:9]:1:[c:10]>>[Cl:5]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[C:4](=[O:15])(-[C:17](-[Cl:18])(-[Cl:19])-[Cl:20])-[Cl:21].[N:6].[c:1]:[c:2](-[N:3]):[c:9](-[C:7](-[c:8])=[O:16]):[c:10]	1	3997
+[c:1]:[c:2]:1:[n:3]:[c:4](-[Cl:5]):[n:6]:[c:7](-[c:8]):[c:9]:1:[c:10]>>[Cl:5]-[P:11](=[O:12])(-[Cl:13])-[Cl:14].[c:1]:[c:2](-[N:3]-[C:4](=[O:15])-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19]):[c:9](-[C:7](-[c:8])=[O:20]):[c:10].[N:6]	1	3998
+[c:1]:[c:2]:1:[n:3]:[c:4](-[O:5]-[C:6]):[n:7]:[c:8]:1>>[c:1]:[c:2]:1:[n:3]:[c:4]:[n:7]:[c:8]:1.[O:5]-[C:6]	2	3999,4000
+[c:1]:[c:2]:1:[n:3]:[c:4](-[c:5](:[n:6]):[c:7]):[n:8]:[c:9]:1:[c:10]>>[c:1]:[c:2](-[N:3]):[c:9](-[N:8]):[c:10].[C:4](-[c:5](:[n:6]):[c:7])-[O:11]	1	4001
+[c:1]:[c:2]:1:[n:3]:[c:4](:[n:5]:[c:6](-[c:7]):[c:8]:1:[c:9])-[O:10]>>[C:4](=[O:10])(-[C:12](-[Cl:13])(-[Cl:14])-[Cl:15])-[Cl:16].[N:5].[c:1]:[c:2](-[N:3]):[c:8](-[C:6](-[c:7])=[O:11]):[c:9]	1	4002
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1:[c:7]>>[c:1]:[c:2]:1-[N:3](-[C:4]-[C:5]-[c:6]:1:[c:7])-[C:8](-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])=[O:14]	1	4003
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1:[c:7]>>[N:4](-[O:11]-[C:12]-[C:13]-[C:14](-[C:15])-[C:16])=[O:17].[c:1]:[c:2](-[N:3]-[C:9](-[C:8])=[O:10]):[c:6](-[C:5]):[c:7]	1	4004
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[N+:4](=[O:5])-[O-:6]	1	4005
+[c:1]:[c:2]:[n:3]:1:[c:4](:[n:5]:[n:6]:[c:7]:1-[C:8]):[c:9]>>[C:7](-[C:8])(=[O:10])-[Cl:11].[c:1]:[c:2]:[n:3]:[c:4](-[N:5]-[N:6]):[c:9]	1	4006
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]#[N:6]):[c:7]>>[C-:5](#[N:6])~[Cu+:9].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[O:8]	1	4007
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[C:8]-[O:10]):[c:9]>>[C:5](-[F:6])(-[F:7])(-[C:8](=[O:10])-[O:13]-[C:12]-[C:11])-[Br:14].[c:1]:[c:2]:[n:3]:[c:4](:[c:9])-[Br:15]	1	4008
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]-[C:6]-[C:7]):[c:8]>>[C:5]#[C:6]-[C:7].[c:1]:[c:2]:[n:3]:[c:4](:[c:8])-[Br:9]	1	4009
+[c:1]:[c:2]:[n:3]:[c:4](-[F:5]):[c:6]>>[F:5].[c:1]:[c:2]:[n:3]:[c:4](:[c:6])-[O:7]	1	4010
+[c:1]:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[c:8]>>[N:5](-[C:6])(-[C:7])-[C:10](-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])=[O:16].[c:1]:[c:2]:[n:3]:[c:4](:[c:8])-[Cl:9]	1	4011
+[c:1]:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[c:8]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:8])-[O:9].[N:5](-[C:6])-[C:7]	1	4012
+[c:1]:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[O:8]	1	4013
+[c:1]:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]):[c:7]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[O:8].[N:5]-[C:6]	1	4014
+[c:1]:[c:2]:[n:3]:[c:4](-[O:5]-[C:6]):[c:7]>>[O:5]-[C:6].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[O:8]	1	4015
+[c:1]:[c:2]:[n:3]:[c:4](-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1):[c:10]>>[c:5]:1(:[c:6]:[n:7]:[n:8]:[c:9]:1)-[B:11]-2-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16](-[O:17]-2)(-[C:18])-[C:19].[c:1]:[c:2]:[n:3]:[c:4](:[c:10])-[O:20]	1	4016
+[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[Cl:6]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[O:11]-[C:12].[Cl:6]-[P:7](=[O:8])(-[Cl:9])-[Cl:10]	1	4017
+[c:1]:[c:3](-[N:2]):[c:4]>>[N+:2](=[O:5])(-[O-:6])-[O:7].[c:1]:[c:3]:[c:4]	1	4018
+[c:1]:[c:3](:[c:2])-[C:4](-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])=[O:7].[c:1]:[c:3](:[c:2])-[Br:8]	1	4019
+[c:1]:[c:3](:[c:2])-[C:4](=[C:5]-[C:6])-[C:7]>>[C:4](-[C:5]-[C:6])(-[C:7])=[O:8].[c:1]:[c:3](:[c:2])-[Br:9]	1	4020
+[c:1]:[c:3](:[c:2])-[C:4](=[O:5])-[Cl:6]>>[Cl:6]-[C:7](-[C:8](=[O:9])-[Cl:10])=[O:11].[C:4](=[O:5])=[O:12].[c:1]:[c:3](:[c:2])-[Br:13]	1	4021
+[c:1]:[c:3](:[c:2])-[C:4](=[O:5])-[Cl:6]>>[Cl:6]-[C:7](-[C:8](=[O:9])-[Cl:10])=[O:11].[c:1]:[c:3](:[c:2])-[Br:13].[C:4](=[O:5])=[O:12]	1	4022
+[c:1]:[c:3](:[c:2])-[C:4]-[C:5]#[N:6]>>[C:4]=[O:7].[c:1]:[c:3]:[c:2].[C:5]#[N:6]	2	4023,4024
+[c:1]:[c:3](:[c:2])-[C:4]-[O:5]>>[C:4](=[O:5])-[N:6](-[C:7])-[C:8].[c:1]:[c:3]:[c:2]	1	4025
+[c:1]:[c:3](:[c:2])-[N:4]>>[N+:4](=[O:5])(-[O-:6])-[O:7].[c:1]:[c:3]:[c:2]	2	4026,4027
+[c:1]:[c:3](:[c:2])-[O:4]-[C:5]-[C:6]>>[O:4](-[C:5](-[C:6])=[O:10])-[C:9]-[C:8].[c:1]:[c:3](:[c:2])-[O:7]	1	4028
+[c:1]:[c:3](:[c:2])-[O:4]-[C:5]>>[O:4](-[C:5])-[C:7]-[C:8].[c:1]:[c:3](:[c:2])-[O:6]	1	4029
+[c:1]:[c:3](:[c:2])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[B:7](-[O:8])-[O:9].[c:1]:[c:3]:[c:2]	1	4030
+[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[N:6]-[C:7]-1=[C:8](-[C:9])-[N:10]-[N:11]-[C:12]-1=[O:13]>>[N+:6](-[C:7]-1=[C:8](-[C:9])-[N:10]-[N:11]-[C:12]-1=[O:13])(=[O:15])-[O-:16].[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[O:14]	1	4031
+[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[N:6]-[C:7]-1=[C:8](-[C:9])-[N:10]-[N:11]-[C:12]-1=[O:13]>>[N:6]-[C:7]-1=[C:8](-[C:9])-[N:10]-[N:11]-[C:12]-1=[O:13].[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[O:14]-[C:15]-[C:16]	1	4032
+[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[N:6]-[C:7]>>[N:6](-[C:7])=[N+:9]=[N-:10].[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[O:8]	1	4033
+[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[N:6]-[c:7]>>[N+:6](-[c:7])(=[O:9])-[O-:10].[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[O:8]	1	4034
+[c:1]:[c:3]:1:[c:2]:[c:6]:[c:5]:[s:4]:1>>[c:1]:[c:3]:1:[c:2]:[c:6]:[c:5](:[s:4]:1)-[C:8](=[O:7])-[O:9]-[C:10]	1	4035
+[c:1]:[c:4](-[C:3]-[C:2]):[c:5]>>[c:1]:[c:4]:[c:5].[C:2]-[C:3](=[O:6])-[O:7]	2	4036,4037
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]):[c:7]>>[c:1]:[c:4](:[c:3]:[n:2])-[Br:8].[c:5](:[c:6])(:[c:7])-[Br:9]	1	4038
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]):[c:7]>>[c:1]:[c:4](:[c:3]:[n:2])-[Br:9].[c:5](:[c:6])(:[c:7])-[Br:8]	1	4039
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]):[c:7]>>[c:1]:[c:4]:[c:3]:[n:2].[c:5](:[c:6])(:[c:7])-[B:8](-[O:9])-[O:10]	1	4040
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]):[c:7]>>[c:5](:[c:6])(:[c:7])-[B:8](-[O:9])-[O:10].[c:1]:[c:4]:[c:3]:[n:2]	1	4041
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:10]:[c:7](:[n:5]:1-[C:6])-[O:8]-[c:9]>>[O:8]-[c:9].[c:1]:[c:4]-1:[c:3](:[c:2])-[N:10]-[C:7](-[N:5]-1-[C:6])=[O:11]	1	4042
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:11]:[c:6](:[s:5]:1)-[N:7]-[C:8](=[O:9])-[C:10]>>[C:8](=[O:9])(-[C:10])-[Cl:12].[c:1]:[c:4]:[c:3](:[c:2])-[N:11].[S:5]-[C:6]#[N:7]	1	4043
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:11]:[c:6](:[s:5]:1)-[N:7]-[C:8](=[O:9])-[C:10]>>[C:8](=[O:9])(-[C:10])-[Cl:14].[c:1]:[c:4]:[c:3](:[c:2])-[N+:11](=[O:12])-[O-:13].[S:5]-[C:6]#[N:7]	1	4044
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:12]:[c:11](:[n:5]:1-[C:6])-[N:7]-[c:8]:[c:10]:[n:9]>>[c:1]:[c:4]-1:[c:3](:[c:2])-[N:12]-[C:11](-[N:5]-1-[C:6])=[O:13].[N:7]-[c:8]:[c:10]:[n:9]	1	4045
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:13]:[c:6](:[n:5]:1)-[c:7]:2:[n:8]:[n:9]:[c:10](:[c:11]):[c:12]:2>>[c:1]:[c:4](:[c:3](:[c:2])-[N:13])-[N:5].[N:8](=[O:14])-[O:15].[c:6]:1:[c:7]:[c:12]:[c:10](:[n:9]:1):[c:11]	1	4046
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:8]:[c:6](:[s:5]:1)-[N:7]>>[c:1]:[c:4]:[c:3](:[c:2])-[N+:8](=[O:9])-[O-:10].[S:5]-[C:6]#[N:7]	1	4047
+[c:1]:[c:4]:1:[c:3](:[c:2]):[s:13]:[c:6](:[n:5]:1)-[N:7]-[C:8](=[O:9])-[N:10](-[C:11])-[C:12]>>[c:1]:[c:4](:[c:3]:[c:2])-[N:5]-[C:6](-[N:7])=[S:13].[N:10](-[C:11])-[C:12].[C:8](=[O:9])(-[Cl:14])-[O:15]-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1	1	4048
+[c:1]:[c:4]:1:[c:3](:[c:2]):[s:7]:[c:6](:[c:5]:1)-[C:9](=[O:8])-[O:10]>>[C:5](=[O:11])-[N:13](-[C:14])-[C:15].[C:6](-[S:7])-[C:9](=[O:8])-[O:10].[c:1]:[c:4]:[c:3](:[c:2])-[F:12]	1	4049
+[c:1]:[c:4]:1:[c:3](:[c:2]):[s:8]:[c:6](:[n:5]:1)-[N:7]>>[c:1]:[c:4](:[c:3]:[c:2])-[N:5]-[C:6](-[N:7]-[C:9](=[O:10])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)=[S:8]	1	4050
+[c:1]:[c:5](-[C:3](-[C:2])-[O:4]):[c:6]>>[c:1]:[c:5]:[c:6].[C:2]-[C:3](=[O:4])-[O:7]	1	4051
+[c:1]:[c:5](:[c:4](:[c:2]):[n:3])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[c:1]:[c:5](:[c:4](:[c:2]):[n:3])-[O:9]	1	4052
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[C:6]#[N:7]>>[C-:6](#[N:7])~[Cu+:8].[c:1]:[c:5]:[n:4]:[c:3]:[c:2]	1	4053
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:9]	1	4054
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]-[c:7]:[c:8]:[n:9]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[F:10].[N:6](-[c:7]:[c:8]:[n:9])=[C:11](-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)-[c:18]:2:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:2	1	4055
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]>>[N:6].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:7]	1	4056
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[C:7]#[N:6]	1	4057
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]-[C:7]>>[O:6]-[C:7].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:8]	1	4058
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]-[c:7]>>[O:6](-[c:7])-[C:9].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Cl:8]	1	4059
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]>>[O:6]=[C:7](-[O:8]-[C:9](-[C:10])=[O:11])-[C:12].[c:1]:[c:5]:[n:4]:[c:3]:[c:2]	1	4060
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]>>[O:6]=[C:8](-[O:9]-[C:10](-[C:11])=[O:12])-[C:13].[c:1]:[c:5]:[n+:4](:[c:3]:[c:2])-[O-:7]	1	4061
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[c:6](:[c:7]):[c:8]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Br:9].[c:6](:[c:7])(:[c:8])-[O:10]-[S:11](=[O:12])(=[O:13])-[C:14](-[F:15])(-[F:16])-[F:17]	1	4062
+[c:1]:[c:7]:[n:6]:[c:3](:[c:2])-[O:4]-[c:5]>>[O:4](-[c:5])-[C:10]-[O:11]-[C:8].[c:1]:[c:7]:[n:6]:[c:3](:[c:2])-[Cl:9]	1	4063
+[c:1]:[c:7]:[n:6]:[c:3](:[c:2])-[O:4]-[c:5]>>[O:4](-[c:5])-[C:9].[c:1]:[c:7]:[n:6]:[c:3](:[c:2])-[Cl:8]	1	4064
+[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5]:[n:6]:[c:7]:1>>[C:5](=[O:9])-[O:10].[c:1]:[c:8](:[n:4]:[c:3]:[c:2])-[C:7]-[N:6]	1	4065
+[c:1]:[n:7]:[c:4](:[n:3]:[c:2])-[N:5]-[c:6]>>[N+:5](-[c:6])(-[O-:8])=[O:10].[c:1]:[n:7]:[c:4](:[n:3]:[c:2])-[Cl:9]	1	4066
+[c:1]:[n:7]:[c:4](:[n:3]:[c:2])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:9])-[O-:10].[c:1]:[n:7]:[c:4](:[n:3]:[c:2])-[Cl:8]	1	4067
+[n:1](:[n:2]):[c:4](:[c:3])-[N:5]>>[n:1](:[n:2]):[c:4](:[c:3])-[O:6].[N:5]	1	4068
+[n:1]:1:[c:2](-[C:3]):[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:2](-[C:3])(=[O:9])-[O:10].[N:1]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7]	2	4069,4070
+[n:1]:1:[c:2](-[C:3]):[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[N:1]-[c:6](:[c:5](-[N+:4](=[O:9])-[O-:10]):[c:8]):[c:7].[C:2](-[C:3])(=[O:11])-[O:12]	1	4071
+[n:1]:1:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]:[c:8](:[c:9]):[c:10]:1>>[n:1]:1:[c:2]:[n:7]:[c:8](:[c:9]):[c:10]:1.[N:4](-[C:5])-[C:6].[C:3](=[O:11])-[N:12](-[C:13])-[C:14]	1	4072
+[n:1]:1:[c:2](-[c:3]):[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:2](-[c:3])(=[O:9])-[O:10].[N:1]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7]	1	4073
+[n:1]:1:[c:2]:2:[c:3](:[c:4]:[c:5]:[n:6]:[c:7]:2):[c:8]:3:[c:9]:1:[n:10]:[c:11]:[c:12]:[c:13]:3>>[c:8]:1(:[c:9](:[n:10]:[c:11]:[c:12]:[c:13]:1)-[F:14])-[B:15](-[O:16])-[O:17].[N:1]-[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:[c:7]:1)-[I:18]	1	4074
+[n:1]:1:[c:2]:[c:3](-[C:4]#[C:5]):[c:6]:[n:7]:1>>[C:4](#[C:5])-[Si:9](-[C:10])(-[C:11])-[C:12].[n:1]:1:[c:2]:[c:3](:[c:6]:[n:7]:1)-[I:8]	1	4075
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[c:9]:[n:10]:1>>[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:11]-[C:12]-[C:13]):[c:9]:[n:10]:1.[N:6](-[C:7])-[C:8]	1	4076
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:8]):[c:6]:[c:7]:1>>[C:4](=[O:5])(-[C:10](-[F:9])(-[F:11])-[F:12])-[O:13]-[C:14](-[C:15](-[F:16])(-[F:17])-[F:18])=[O:19].[O:8].[n:1]:1:[c:2]:[c:3]:[c:6]:[c:7]:1	1	4077
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[c:6]):[c:7]:[c:9]:1:[n:8]>>[C:4](=[O:5])-[c:6].[n:1]:1:[c:2]:[c:3]:[c:7]:[c:9]:1:[n:8]	1	4078
+[n:1]:1:[c:2]:[c:3](-[C:4]=[O:5]):[c:6]:[n:7]:1>>[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:8]-[C:9]-[C:10]):[c:6]:[n:7]:1	1	4079
+[n:1]:1:[c:2]:[c:3](-[S:4](=[O:5])(=[O:6])-[N:7]-[C:8]):[c:9]:[c:10]:1>>[N:7]-[C:8].[S:4](=[O:5])(=[O:6])(-[Cl:11])-[O:12].[n:1]:1:[c:2]:[c:3]:[c:9]:[c:10]:1	1	4080
+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]:1>>[n:1]:1:[c:2]:[c:3]:[c:7]:[n:8]:1.[c:4](:[c:5])(:[c:6])-[B:9](-[O:10])-[O:11]	1	4081
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[n:5]:[c:6](-[N:7]):[n:8]:[c:9]:[c:10]:2):[c:11]:[n:12]:1>>[n:1]:1:[c:2]:[c:3](-[C:4](-[C:10])=[O:16]):[c:11]:[n:12]:1.[N:5]-[C:6](-[N:7])=[N:8].[C:9](-[N:14](-[C:13])-[C:15])(-[O:17]-[C:18])-[O:19]-[C:20]	1	4082
+[n:1]:1:[c:2]:[c:3]:2:[c:4](:[n:5]:[c:6](-[c:7]):[s:8]:2):[c:9]:[c:10]:1>>[n:1]:1:[c:2]:[c:3](:[c:4](-[N:5]-[C:6](-[c:7])=[O:15]):[c:9]:[c:10]:1)-[F:14].[S:8]=[C:11](-[N:12])-[N:13]	1	4083
+[n:1]:1:[c:2]:[c:3]:[c:4](-[c:5]):[n:6]:1>>[N:1]-[N:6].[C:2](-[N:8](-[C:7])-[C:9])(-[O:11]-[C:12])-[O:13]-[C:14].[C:3]-[C:4](-[c:5])=[O:10]	2	4084,4085
+[n:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5]:1:[n:6]:[c:7](-[C:8]):[n:9]:[c:10]:2-[O:11]>>[C:7](-[C:8])(=[O:12])-[O:13].[n:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:1-[N:6])-[C:10](-[N:9])=[O:11]	1	4086
+[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:8]>>[c:6](:[c:7])(:[c:8])-[B:9](-[O:10])-[O:11].[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1	1	4087
+[n:1]:1:[n:2]:[c:3](-[C:4]):[c:5](-[c:6]):[c:7]:1-[N:8]>>[C:3](-[C:4])(=[O:9])-[O:10]-[C:11]-[C:12].[N:1]-[N:2].[C:5](-[c:6])-[C:7]#[N:8]	1	4088
+[n:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7](:[c:8]:[n:9]):[c:11]:1:[n:10]>>[n:1]:1:[n:2]:[c:3](:[c:7](:[c:8]:[n:9]):[c:11]:1:[n:10])-[I:12].[c:4](:[c:5])(:[c:6])-[Br:13]	1	4089
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](=[O:6])-[N:7](-[C:8])-[C:9]):[c:10]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](=[O:6])-[O:11]-[C:12]-[C:13]):[c:10]:1.[N:7](-[C:8])-[C:9]	2	4090,4091
+[n:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](:[c:8]:1)-[Br:9].[c:5](:[c:6])(:[c:7])-[Br:10]	1	4092
+[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[Br:6]>>[Br:6]-[N:8]-1-[C:9](=[O:10])-[C:11]-[C:12]-[C:13]-1=[O:7].[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[C:15](=[O:14])-[O:16]-[C:17]-[C:18]	1	4093
+[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[C:8](-[N:7]-[C:6])-[C:9]>>[C:8](-[C:9])(=[O:10])-[O:11]-[C:12]-[C:13]-[C:14]-[C:15].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1.[C:6]-[N:7]	1	4094
+[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[C:8](-[N:7]-[C:6])-[C:9]>>[C:8](-[C:9])(=[O:10])-[O:11].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1.[C:6]-[N:7]	1	4095
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](-[N:6](-[C:7])-[C:8]):[n:9]:[c:10]:[n:11]:[c:12]:1:2>>[N:6](-[C:7])-[C:8].[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](:[n:9]:[c:10]:[n:11]:[c:12]:1:2)-[O:13]	2	4096,4097
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](-[O:6]):[c:7](-[C:8](=[O:9])-[O:10]-[C:14]):[c:11]:[n:12]:[c:13]:1:2>>[C:5](=[O:6])(-[C:7](-[C:8](=[O:9])-[O:18]-[C:19]-[C:20])=[C:11]-[O:10]-[C:14])-[O:17]-[C:16]-[C:15].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:13]:1-[N:12]	1	4098
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:8]>>[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[Sn:9](-[C:10]-[C:11]-[C:12]-[C:13])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:6](:[c:7]):[c:8]	1	4099
+[n:1]:[c:10]:1:[c:3](:[n:2]):[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:[n:9]:1>>[N:5]-[c:6].[n:1]:[c:10]:1:[c:3](:[n:2]):[c:4](:[n:7]:[c:8]:[n:9]:1)-[Cl:11]	1	4100
+[n:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[N:4].[n:1]:[c:2](-[C:3](=[O:6])-[O:7]):[c:5]	1	4101
+[n:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[Cl:7]):[c:5].[N:4]	1	4102
+[n:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]):[c:5].[N:4]	1	4103
+[n:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[c:5].[N:4]	1	4104
+[n:1]:[c:2](-[C:3](-[N:4])=[O:5]):[c:6]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:7]-[C:8]):[c:6].[N:4]	1	4105
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]>>[N:4].[n:1]:[c:2](-[C:3](-[O:6]-[C:8]-[C:9])=[O:7]):[c:5]	1	4106
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]>>[N:4].[n:1]:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[c:5]	1	4107
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]):[c:5].[N:4]	1	4108
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[c:5].[N:4]	1	4109
+[n:1]:[c:2](-[C:3](-[N:4])=[S:5]):[c:6]>>[N:4].[n:1]:[c:2](-[C:3](-[O:28])=[O:29]):[c:6].[S:5]=[P:8]-1(-[S:9]-[P:10](-[c:11]:2:[c:12]:[c:13]:[c:14](-[O:15]-[C:16]):[c:17]:[c:18]:2)(=[S:19])-[S:20]-1)-[c:21]:3:[c:7]:[c:27]:[c:24](:[c:23]:[c:22]:3)-[O:25]-[C:26]	1	4110
+[n:1]:[c:2](-[C:3](-[N:4])=[S:5]):[c:6]>>[N:4].[n:1]:[c:2](-[C:3](-[O:28]-[C:30]-[C:31])=[O:29]):[c:6].[S:5]=[P:8]-1(-[S:9]-[P:10](-[c:11]:2:[c:12]:[c:13]:[c:14](-[O:15]-[C:16]):[c:17]:[c:18]:2)(=[S:19])-[S:20]-1)-[c:21]:3:[c:7]:[c:27]:[c:24](:[c:23]:[c:22]:3)-[O:25]-[C:26]	1	4111
+[n:1]:[c:2](-[C:3](=[O:4])-[Cl:5]):[c:6]>>[Cl:5]-[S:7](=[O:8])-[Cl:9].[n:1]:[c:2](-[C:3](=[O:4])-[O:10]-[C:11]):[c:6]	1	4112
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[c:8]:[s:9]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:10]-[C:11]-[C:12]):[c:8]:[s:9].[N:5](-[C:6])-[C:7]	1	4113
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[c:8]>>[N:5](-[C:6])-[C:7].[n:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[c:8]	1	4114
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]:[n:8]>>[N:5]-[C:6].[n:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]):[c:7]:[n:8]	1	4115
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[n:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[c:7]	2	4116,4117
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[n:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]-[C:10]):[c:7]	1	4118
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-[c:7]):[c:8]>>[C:6](-[c:7])-[Br:10].[N:5].[n:1]:[c:2](-[C:3](=[O:4])-[O:9]):[c:8]	1	4119
+[n:1]:[c:2](-[C:3](=[O:5])-[Cl:6]):[c:4]>>[Cl:6]-[C:7](-[C:8](-[Cl:9])=[O:10])=[O:14].[n:1]:[c:2](-[C:3](=[O:5])-[O:11]-[C:12]-[C:13]):[c:4]	1	4120
+[n:1]:[c:2](-[C:3]-[C:4]-[C:5](=[O:7])-[O:8]):[c:6]>>[n:1]:[c:2](-[C:3]=[O:9]):[c:6].[C:4](-[C:5](=[O:7])-[O:8])=[P:10](-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)(-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2)-[c:23]:3:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:3	1	4121
+[n:1]:[c:2](-[C:3]-[Cl:4]):[c:5]>>[Cl:4]-[C:6]-[Cl:7].[n:1]:[c:2](-[C:3]=[O:8]):[c:5]	1	4122
+[n:1]:[c:2](-[C:3]-[Cl:4]):[c:5]>>[n:1]:[c:2](-[C:3]):[c:5].[Cl:4]-[C:6]-[Cl:7]	1	4123
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[n:1]:[c:2](-[C:3]):[c:7]	1	4124
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[n:1]:[c:2](-[C:3]-[O:8]):[c:7]	2	4125,4126
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]>>[N:4](-[C:5])(-[C:6])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15].[n:1]:[c:2](-[C:3]=[O:8]):[n:7]	1	4127
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]-[c:7](:[n:8]):[c:9]):[c:10]>>[N:4]-[C:5].[n:1]:[c:2](-[C:3]=[O:11]):[c:10].[C:6](-[c:7](:[n:8]):[c:9])=[O:12]	1	4128
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5]-[C:6])-[C:7]):[n:8]>>[n:1]:[c:2](-[C:3]=[O:9]):[n:8].[N:4]-[C:7].[C:5](-[C:6])=[O:10]	1	4129
+[n:1]:[c:2](-[C:3]-[N:4]-[C:5]):[c:6]>>[N:4]-[C:5].[n:1]:[c:2](-[C:3]-[O:7]):[c:6]	1	4130
+[n:1]:[c:2](-[C:3]-[O:4]):[c:5]>>[n:1]:[c:2](-[C:3](-[O:4]-[C:7])=[O:6]):[c:5]	1	4131
+[n:1]:[c:2](-[C:3]-[O:4]-[c:5]):[c:6]:[o:7]>>[O:4](-[c:5])-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1.[n:1]:[c:2](-[C:3]-[Cl:8]):[c:6]:[o:7]	1	4132
+[n:1]:[c:2](-[C:3]-[O:5]):[c:4]>>[n:1]:[c:2](-[C:3]):[c:4].[O:5]=[Se:6]=[O:7]	1	4133
+[n:1]:[c:2](-[C:3]=1-[N:4]-[N:5]-[C:6](=[O:7])-[N:8]=1):[c:9]>>[n:1]:[c:2](-[C:3]#[N:8]):[c:9].[N:4]-[N:5].[C:6](=[O:7])(-[n:10]:1:[c:11]:[c:12]:[n:13]:[c:14]:1)-[n:15]:2:[c:16]:[c:17]:[n:18]:[c:19]:2	1	4134
+[n:1]:[c:2](-[C:3]=[C:4]-1-[C:5](=[O:6])-[N:7]-[c:8]:[c:9]-1):[c:10]>>[n:1]:[c:2](-[C:3]=[O:11]):[c:10].[C:4](-[C:5](=[O:6])-[O:12])-[c:9]:[c:8]-[N+:7](=[O:13])-[O-:14]	1	4135
+[n:1]:[c:2](-[C:3]=[N:4]-[N:5]):[c:6]>>[n:1]:[c:2](-[C:3]):[c:6].[N:4]-[N:5]	1	4136
+[n:1]:[c:2](-[C:3]=[N:4]-[O:5]):[c:6]>>[n:1]:[c:2](-[C:3](=[O:7])-[O:8]-[C:9]-[C:10]):[c:6].[N:4]-[O:5]	1	4137
+[n:1]:[c:2](-[C:3]=[N:4]-[O:5]):[c:6]>>[n:1]:[c:2](-[C:3]-[O:7]):[c:6].[N:4]-[O:5]	1	4138
+[n:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:6]-[C:7]-[C:8]):[c:5]	1	4139
+[n:1]:[c:2](-[C:3]=[O:4]):[n:5]>>[n:1]:[c:2](-[C:3]-[O:4]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1):[n:5]	1	4140
+[n:1]:[c:2](-[C:3]=[O:5]):[c:4]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:6]-[C:7]-[C:8]):[c:4]	1	4141
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+[n:1]:[c:2](-[C:3]=[O:6]):[c:4]:[s:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]-[C:8]-[C:9]):[c:4]:[s:5]	1	4143
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[s:7]>>[n:1]:[c:2](-[N:3]):[s:7].[C:4](=[O:5])(-[C:6])-[O:8]-[C:9]-[C:10]	1	4144
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[s:9]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2](-[N:3]):[s:9].[C:4](=[O:5])(-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:1)-[Cl:17]	1	4145
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[C:7](=[O:8])-[C:9]):[c:10]>>[C:4](=[O:5])(-[C:13](=[O:14])-[Cl:15])-[Cl:16].[N:6]-[C:7](=[O:8])-[C:9].[n:1]:[c:2](-[N+:3](=[O:11])-[O-:12]):[c:10]	1	4146
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[C:7]):[s:8]>>[N:6]-[C:7].[n:1]:[c:2](-[N:3]):[s:8].[C:4](=[O:5])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	4147
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[c:7]):[c:8]>>[n:1]:[c:2](-[N:3]):[c:8].[N:6]-[c:7].[C:4](=[O:5])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	4148
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[c:6]):[c:7]:[n:8]>>[C:4](=[O:5])(-[c:6])-[O:9]-[C:10].[n:1]:[c:2](-[N:3]):[c:7]:[n:8]	2	4149,4150
+[n:1]:[c:2](-[S:3]-[C:4]-[c:5](:[n:6]):[c:7]):[n:8]>>[C:4](-[c:5](:[n:6]):[c:7])-[O:9].[n:1]:[c:2](-[S:3]):[n:8]	1	4151
+[n:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]):[c:10]>>[N:4]-[c:5](:[c:6](:[c:7])-[N:9]):[c:8].[n:1]:[c:2](-[C:3](=[O:11])-[N:12](-[O:13]-[C:14])-[C:15]):[c:10]	1	4152
+[n:1]:[c:2]:1:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]:[n:9]:[n:10]:1>>[N:6]-[C:7].[n:1]:[c:2]:1:[c:3](-[C:4](=[O:5])-[O:11]-[C:12]-[C:13]):[c:8]:[n:9]:[n:10]:1	2	4153,4154
+[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n:7]:[c:8]:1-[N:9]):[n:10]>>[N:9].[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n+:7](:[c:8]:1)-[O-:11]):[n:10]	1	4155
+[n:1]:[c:2]:1:[c:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:[c:9]:[n:10]:1>>[N:5](-[C:6])-[C:7].[n:1]:[c:2]:1:[c:3]:[c:4](:[n:8]:[c:9]:[n:10]:1)-[O:11]	1	4156
+[n:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:[n:9]:1>>[N:5]-[c:6].[n:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[n:9]:1)-[O:10]	1	4157
+[n:1]:[c:2]:[c:3](-[C:4]#[N:5]):[s:6]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:7])-[O:8]-[C:9]-[C:10]):[s:6].[N:5]	1	4158
+[n:1]:[c:2]:[c:3](-[C:4](-[N:5])=[O:6]):[c:7]:[n:8]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:6])-[O:9]-[C:10]-[C:11]):[c:7]:[n:8].[N:5]	1	4159
+[n:1]:[c:2]:[c:3](-[C:4](=[C:5]-[C:6])-[C:7]):[c:8]>>[C:4](=[C:5]-[C:6])(-[C:7])-[B:9]-1-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14](-[O:15]-1)(-[C:16])-[C:17].[n:1]:[c:2]:[c:3]:[c:8]	1	4160
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[c:9]:[n:10]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:11]-[C:12]):[c:9]:[n:10]	1	4161
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]:[n:9]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3](-[C:4]=[O:5]):[c:8]:[n:9]	1	4162
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[n:8]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:9]-[C:10]):[n:8].[N:6]-[C:7]	1	4163
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]):[n:10]>>[N+:6](-[c:7](:[n:8]):[c:9])(=[O:12])-[O-:13].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:11]):[n:10]	1	4164
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]):[n:10]>>[N:6]-[c:7](:[n:8]):[c:9].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:11]-[C:12]):[n:10]	1	4165
+[n:1]:[c:2]:[c:3](-[C:4]-[O:5]):[n:6]>>[n:1]:[c:2]:[c:3](-[C:4](-[O:5]-[C:8])=[O:7]):[n:6]	1	4166
+[n:1]:[c:2]:[c:3](-[C:4]=[O:5]):[c:6]:[n:7]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:8]-[C:9]-[C:10]):[c:6]:[n:7]	1	4167
+[n:1]:[c:2]:[c:3](-[N:4]):[c:5]>>[N+:4](-[O:6])(-[O-:7])=[O:8].[n:1]:[c:2]:[c:3]:[c:5]	1	4168
+[n:1]:[c:2]:[c:3](-[N:4]-[C:5](=[O:6])-[C:7]):[c:8]:[n:9]>>[n:1]:[c:2]:[c:3](-[N+:4](=[O:10])-[O-:11]):[c:8]:[n:9].[C:5](=[O:6])(-[C:7])-[O:12]	1	4169
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]>>[c:4](:[c:5])(:[c:6])-[B:8]-1-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13](-[O:14]-1)(-[C:15])-[C:16].[n:1]:[c:2]:[c:3]:[c:7]	1	4170
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]>>[c:4](:[c:5])(:[c:6])-[Br:9].[n:1]:[c:2]:[c:3](:[c:7])-[Br:8]	1	4171
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[n:7]:[n:8]>>[c:4](:[c:5])(:[c:6])-[B:9](-[O:10])-[O:11].[n:1]:[c:2]:[c:3]:[n:7]:[n:8]	1	4172
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8]>>[c:4](:[c:5]:[n:6])(:[c:7])-[Br:10].[n:1]:[c:2]:[c:3](:[c:8])-[Br:9]	1	4173
+[n:1]:[c:2]:[c:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1):[c:9]>>[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[I:11].[n:1]:[c:2]:[c:3](:[c:9])-[Br:10]	1	4174
+[n:1]:[c:2]:[c:3](:[c:4]:[n:5])-[N:6](-[C:7])-[C:8](=[O:9])-[C:10]>>[C:7]-[I:16].[n:1]:[c:2]:[c:3](:[c:4]:[n:5])-[N+:6](=[O:11])-[O-:12].[C:8](=[O:9])(-[C:10])-[O:13]-[C:14]-[C:15]	1	4175
+[n:1]:[c:2]:[c:3]-[C:4]#[N:5]>>[N:5].[n:1]:[c:2]:[c:3]-[C:4](=[O:6])-[O:7]	1	4176
+[n:1]:[c:2]:[c:3]-[C:4](-[N:5])=[O:6]>>[N:5].[n:1]:[c:2]:[c:3]-[C:4](=[O:6])-[O:7]-[C:8]-[C:9]	1	4177
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:9]-[C:10]	1	4178
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:9]-[C:10]-[C:11]	1	4179
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[C:7]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:9]	3	4180,4181,4182
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[C:7]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:9]-[C:10]	1	4183
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[C:7]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:9].[N:6]-[C:7]	3	4184,4185,4186
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]>>[N:6]-[c:7](:[n:8]):[c:9].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:10]-[C:11]	1	4187
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7]>>[N:6]-[c:7].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:9]-[C:10]	1	4188
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:9].[N:6]-[c:7]	2	4189,4190
+[n:1]:[c:2]:[c:3]-[C:4]-[C:5]#[N:6]>>[C:5]#[N:6].[n:1]:[c:2]:[c:3]-[C:4]	2	4191,4192
+[n:1]:[c:2]:[c:3]-[C:4]-[Cl:5]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:9])-[O:10]-[C:11].[Cl:5]-[S:6](=[O:7])-[Cl:8]	1	4193
+[n:1]:[c:2]:[c:3]-[C:4]-[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[O:5]-[C:6])=[O:7]	1	4194
+[n:1]:[c:2]:[c:3]-[C:4]-[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[O:5]-[C:7])=[O:6]	1	4195
+[n:1]:[c:2]:[c:3]-[C:4]=[N:5]-[O:6]>>[n:1]:[c:2]:[c:3]-[C:4]-[O:7].[N:5]-[O:6]	1	4196
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[O:5])=[O:6]	1	4197
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[O:5]-[C:6])=[O:7]	1	4198
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[O:5]-[C:7])=[O:6]	1	4199
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4]-[O:5]-[C:6]	1	4200
+[n:1]:[c:2]:[c:3]-[N:4]-[C:5](=[O:6])-[c:7]>>[n:1]:[c:2]:[c:3]-[N+:4](=[O:8])-[O-:9].[C:5](=[O:6])(-[c:7])-[Cl:10]	1	4201
+[n:1]:[c:2]:[c:3]-[N:4]-[C:5]-[C:6]>>[C:5](-[C:6])-[O:7].[n:1]:[c:2]:[c:3]-[N:4]	1	4202
+[n:1]:[c:2]:[c:3]-[N:4]-[S:5](-[C:6])(=[O:7])=[O:8]>>[n:1]:[c:2]:[c:3]-[N+:4](=[O:9])-[O-:10].[S:5](-[C:6])(=[O:7])(=[O:8])-[Cl:11]	2	4203,4204
+[n:1]:[c:2]:[c:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[n:8]:1>>[n:1]:[c:2]:[c:3]-[C:4]#[C:5]-[Si:9](-[C:10])(-[C:11])-[C:12].[N-:6]=[N+:7]=[N:8]-[Si:13](-[C:14])(-[C:15])-[C:16]	1	4205
+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[C:8]):[o:9]:1>>[n:1]:[c:2]:[c:3]-[C:4](=[O:10])-[O:11].[N:5]-[N:6]-[C:7](-[C:8])=[O:9]	1	4206
+[n:1]:[c:2]:[c:5]-[C:3]#[N:4]>>[N:4]-[O:6].[n:1]:[c:2]:[c:5]-[C:3]=[O:7]	1	4207
+[n:1]:[c:2]:[c:5]-[C:3]#[N:4]>>[n:1]:[c:2]:[c:5]-[C:3]=[O:7].[N:4]-[O:6]	1	4208
+[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[N:6]-[c:7]:1:[c:8]:[c:9](:[n:10]):[n:11]:[c:12]:[c:13]:1>>[c:7]:1(:[c:8]:[c:9](:[n:10]):[n:11]:[c:12]:[c:13]:1)-[Br:22].[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[O:14].[N:6]-[C:20](-[O:19]-[C:16](-[C:15])(-[C:17])-[C:18])=[O:21]	1	4209
+[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[N:6]-[c:7]>>[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[O:8].[N:6](-[c:7])-[C:9](-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14])=[O:15]	1	4210
+[n:1]:[c:3](:[c:2])-[C:4]-[O:5]>>[n:1]:[c:3](:[c:2])-[C:4](-[O:5]-[C:7])=[O:6]	1	4211
+[n:1]:[c:3](:[c:2])-[C:4]=[O:5]>>[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[O:6]-[C:7]	1	4212
+[n:1]:[c:3](:[c:2])-[N:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[N:7]-[c:8].[n:1]:[c:3](:[c:2])-[N:4].[C:5](=[O:6])(-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[Cl:16]	1	4213
+[n:1]:[c:3]:1:[c:2]:[n:9]:[c:8]:[n:7]:[c:4]:1-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:11])-[O-:12].[n:1]:[c:3]:1:[c:2]:[n:9]:[c:8]:[n:7]:[c:4]:1-[Cl:10]	1	4214
+[n:1]:[c:4]:1:[c:3](:[n:2]):[c:9](:[n:8]:[c:6](:[c:5]:1):[c:7])-[N:10]>>[n:1]:[c:4]:1:[c:3](:[n:2]):[c:9]:[n+:8](:[c:6](:[c:5]:1):[c:7])-[O-:11].[N:10]	1	4215
+[n:1]:[c:6]:[c:3](:[n:2])-[C:4]=[O:5]>>[n:1]:[c:6]:[c:3](:[n:2])-[C:4](=[O:5])-[O:7]-[C:8]-[C:9]	1	4216
+[n:1]:[c:8](-[N:4](-[C:3]-[C:2])-[c:5]:[c:7]:[n:6]):[n:9]>>[n:1]:[c:8](-[N:4]-[c:5]:[c:7]:[n:6]):[n:9].[C:2]-[C:3](=[O:10])-[O:11]-[C:12]-[C:13]	1	4217
+[n:1]:[n:2]:1:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8]:[n:9]:[c:10]:1>>[c:4](:[c:5]:[n:6])(:[c:7])-[B:11]-1-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16](-[O:17]-1)(-[C:18])-[C:19].[n:1]:[n:2]:1:[c:3]:[c:8]:[n:9]:[c:10]:1	1	4218
+[o:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[N:9]):[c:10]>>[N:5](-[C:6]-[C:7](=[O:8])-[N:9])-[C:12](-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17])=[O:18].[o:1]:[c:2](-[C:3](=[O:4])-[O:11]):[c:10]	1	4219
+[o:1]:[c:2]:[c:10]:[c:4](:[c:3])-[N:5]-[S:6](-[C:7])(=[O:8])=[O:9]>>[N+:5](-[O:12])(-[O-:13])=[O:14].[S:6](-[C:7])(=[O:8])(=[O:9])-[Cl:11].[o:1]:[c:2]:[c:10]:[c:4]:[c:3]	1	4220
+[o:1]:[c:2]:[c:6]:[c:4](:[c:3])-[N:5]>>[N+:5](-[O:7])(-[O-:8])=[O:9].[o:1]:[c:2]:[c:6]:[c:4]:[c:3]	1	4221
+[s:1]:[c:2](-[C:3](-[N:4])=[O:5]):[c:6]>>[s:1]:[c:2](-[C:3](-[O:5]-[C:8])=[O:7]):[c:6].[N:4]	1	4222
+[s:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[n:8]>>[N:5](-[C:6])-[C:7].[s:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:10]-[C:11]):[n:8]	2	4223,4224
+[s:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[N:5](-[C:6])(-[C:9](-[C:10])(-[C:11])-[C:12])-[C:13](=[O:14])-[O:15].[s:1]:[c:2](-[C:3](=[O:4])-[O:8]):[c:7]	1	4225
+[s:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[N:5]-[C:6].[s:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:9]):[c:7]	3	4226,4227,4228
+[s:1]:[c:2](-[N:3]-1-[C:4]-[C:5]-[N:6](-[C:7]-[c:8])-[C:9]-1=[O:10]):[n:11]>>[C:4](-[C:5]-[N:6]=[C:9]=[O:10])-[Cl:12].[s:1]:[c:2](-[N:3]):[n:11].[C:7](-[c:8])-[Br:13]	1	4229
+[s:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[C:6]):[n:7]:[c:8]:[c:9]:1>>[s:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[c:9]:1)-[O:10].[N:5]-[C:6]	1	4230
+[s:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:[n:9]:1>>[N:5]-[c:6].[s:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[n:9]:1)-[O:10]	1	4231
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/primary/assets/composite_policy_data.tsv b/releases/n1-n5-composites-inchi-v1/payload/splits/primary/assets/composite_policy_data.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..2a51cb83bc834ff2fcc340b3075a10815f8c4dd9
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/primary/assets/composite_policy_data.tsv
@@ -0,0 +1,4233 @@
+product_smiles	rule_id
+CC1(C)OB(OC1(C)C)c2c(C=O)ccc(c2)OC3CCCC3	0
+C(Br)CCCCOCCCCBr	1
+c1cc(ccc1CCCOCc2ccccc2)CBr	2
+C[Si](C)(C)OC(CC#C)(CCC)CCCC	3
+c1(nc(-c2nc(CCC)ccc2)nc(c1)C)OCC#C	4
+C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O	5
+c1cc(ccc1C(C)(C)C#C)F	6
+C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O	7
+C1CC1N(C)Cc2c(ccc(C#Cc3ccc(cc3)CC(=O)OC)c2)C(=O)OC(C)C	8
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+](=O)[O-])C#Cc2ccc(cc2)F	8
+CC(C)(C)OC(COc1c(C#Cc2cc(S(=O)(=O)C)ccc2O)cc(Cl)cc1)=O	8
+c1cc(ccc1C#Cc2cc(CCCC#N)c(F)cc2)OC(F)F	8
+c1cc(ccc1Cl)C#Cc2ccc(c(C#N)n2)N	8
+c1(c(nc(c(-c2ccncn2)c1)-c3occc3)N)C#Cc4cccc(c4)F	9
+c1cc(ccc1C#Cc2cccc(N)n2)C(OCC)=O	10
+c1cc(ccc1C#Cc2c([N+]([O-])=O)cccn2)CCC(=O)OC	11
+C[Si](C)(C)C#Cc1ccc(cc1)N(CCCC)CCCC	12
+C[Si](C)(C)C#Cc1cc(cnc1N)Cl	13
+C[Si](C)(C)C#Cc1cc(OC(C)c2c(ccc(F)c2Cl)Cl)c(nc1)N	14
+C1CC1C(c2ccc(cc2)Cl)=C(C=O)F	15
+c1cc(ccc1C)Cc2nc(O)c(nn2)C(NC(=O)C(CCCCC)C(C)=O)C	16
+FC(F)(F)C(F)(F)CCNC(C(C)(F)C(NC1C(N(c2c(-c3c1cccc3)cccc2)CC4CC4)=O)=O)=O	17
+c1ncncc1Cn2nc(-c3nc(c(nn3)C(C)(C)C(=O)OC)O)c4cc(cnc24)F	18
+O=C(OCC)C(C(=O)OCC)C(=O)c1cc(F)c(cc1Br)F	19
+CC(C)(C)OC(N1CC2(C1)CC(C2)OS(=O)(=O)C)=O	20
+C1N(CC1C(Nc2ccccc2N)=O)c3cc(nc(C)n3)-n4nc(nc4C)C	21
+C1(Cl)CCOc2cc(ccc12)F	22
+O=S(=O)(c1ccc2c(CCCC2Cl)c1)c3ccccc3	22
+CC(C)(C)OC(N1CC(CC1)NC(=O)COCCBr)=O	23
+c1cc(ccc1C#N)CCCBr	24
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=O)(=NCCBr)C	24
+N1(C(=O)C)c2cc(C)cc(C)c2C(C1)CCBr	25
+O=C1Nc2c(cccc2)C(C1)CCCl	26
+O=C1Nc2c(cccc2)C(C1)CCCl	27
+CC(C)(C)OC(=O)N1CC(c2ccccc2)CC1COC	28
+CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2	29
+CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2	30
+CC(C)(CO)c1ccc(cc1)F	30
+O=C1Nc2c(cccc2)C(CCO)C1	30
+OCCC1COc2c(cccc2)O1	30
+C1CC(CCC1)=CCCCCCO	31
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCO)C3=O	31
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CO	31
+c1(CCO)ccc([N+]([O-])=O)cc1Cl	31
+C(O)CC1n2c(cc(I)c2)C(NC1)=O	32
+c1cc(ccc1)C(c2ccccc2)CO	33
+c1cnccc1N2CCC(CC2)CO	33
+O=S(=O)(OCCC1n2cc(I)cc2C(=O)NC1)C	34
+CC(C)(C)OC(N1CC(c2ccccc2)CC1COS(=O)(=O)C)=O	35
+C1CC(CCC1COS(=O)(=O)C)C(OCCCC)=O	36
+c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C	37
+c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C	38
+O=S(=O)(C)OCC(c1ccc(Cl)c(c1)Cl)CCOC2OCCCC2	39
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(CCOS(=O)(=O)C)nc4	40
+O=S(=O)(C)OCCCc1ccc(cc1)Br	41
+C(=O)Cc1ccc([N+]([O-])=O)cc1Cl	42
+FC(F)(F)c1ccc(cc1)CCC=O	42
+c1cc(ccc1F)C(C)(C)C=O	43
+C(=O)Cc1ccc([N+]([O-])=O)cc1Cl	44
+CC(C)(C)OC(=O)NCC(C=O)C	45
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C=O	46
+c1cc(ccc1F)C(C)(C)C=O	47
+CC(C)(C)OC(=O)Nc1onc(C(C)(C)C=O)c1	48
+c1ccccc1[Si](c2ccccc2)(N3C(=O)CC3C=O)C(C)(C)C	49
+c1cc(ccc1C2C(C2)CCO)Br	50
+c1cc(ccc1C2C(C2)CCO)Br	51
+Fc1cc(cc(F)c1C)CCC(OCCCC)=O	52
+c1cc(ccc1CCC(OCC)=O)C#N	52
+c1cc(ccc1C#N)CCCO	53
+c1cc(ccc1N2C(=O)C(COS(=O)(=O)C)CC2)Cl	54
+C1CN(CCC1(F)F)CCO	55
+CC(C)(C)OC(NCC(CNc1cc2c(cc1)N(CC3CC3)C(=O)C2)O)=O	56
+c1cc(ccc1Cl)Oc2cc(CCC)c(C(=O)COc3ccc(cc3)OC)cc2	57
+Clc1c(OC)cc(CC#N)c(Cl)c1	58
+Clc1c(OC)cc(CC#N)c(Cl)c1	59
+c1cc(ccc1)-c2c3ccc(cc3no2)CC#N	60
+c1cc(ccc1C(=O)c2cc(CC#N)ccc2)Cl	60
+FC(F)(F)c1cc(Oc2ccc(cc2)CCO)ccc1Cl	61
+CC(C)(C)OC(NC(c1ccnc(-c2c(cnn2C(F)F)NC(C(C=C)C)=O)c1)CC=C)=O	62
+c1(C=CCO)c(cccc1)Br	63
+CC(C)(C)c1nnc(NC(N(C(C)C=O)C)=O)s1	64
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(c1)NC(=O)CC(=O)c2cccc(-c3ccc(OC)nn3)c2)N(C)C	65
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(=O)CC(=O)c3cc(-n4ccnc4SCOC)ccc3)=O	66
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(CC(=O)c3sc(C#N)cc3)=O)=O	66
+FC(F)(F)c1c(cc(c(c1)NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)NC(=O)OC(C)(C)C)N4CCSCC4	66
+C1CN(CCC1N2C(C(CC2)Oc3cc(F)c(S(=O)(=O)C)cc3F)=O)C#N	67
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)OCc4cc5c(OCO5)cc4)=O)=O	68
+N(C(C)=O)C1C(=O)NC(C(NC(CC(C)CCCCCCC1)C(O)CC(C)C(NCCCC)=O)=O)C	69
+C1CC(CCN1OC)(C(OC)=O)NC(=O)Cc2c(C)cc(F)c(c2)Br	70
+C[Si](C)(C)CCOCn1cc(C(NC(C(C)(C)C)C(N2CCC(CC2)C#N)=O)=O)c3c1ncc(Br)n3	71
+CC(C)(C)C(NC(=O)c1c2cccc(c2n(n1)Cc3ccc(cc3)C#N)F)C(=O)NCCO	72
+C(C)C(CC)(C(NC)=O)NC(=O)c1ccc(OC)c(-c2cc(ccc2)Cl)n1	73
+c1c(C)cc(cc1CC(C(NCC#N)=O)NC(c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(N)=O)=O)C	74
+CC(C)(C)C(NC(c1ccc(cc1)-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)=O)C(=O)OC(C)(C)C	75
+CC(C)(C)OC(NC1CCC2CN(CC12)Cc3ccccc3)=O	76
+CC(C)(C)OC(NCC(c1cc2cc[nH]c2cc1)c3ccccc3)=O	77
+c1cc(ccc1C(NC)=O)OCC(O)CN(Cc2ccccc2)C(COc3cc4c(OC(C)(C)NC4=O)cc3)C	78
+C1CC(CCN1CC(O)COc2nccnc2Cl)N3CCN(c4ccccc4)C3=O	79
+c1cc(ccc1OC)CC(C)(C)NCC(O)COCC=C	80
+c1ccccc1Oc2cnc(cc2)CO	81
+C1C(C(c2ccc(cc2Cl)F)O)C1C#N	82
+C1C(C(c2ccc(cc2Cl)F)O)C1C#N	83
+N#CC1CC1C(c2ccc(cc2Cl)F)=O	84
+c1cc(ccc1)C(Cc2cc(ccc2)C)=O	85
+c1cc(ccc1)C(=O)c2c(N)ccc(c2)F	86
+c1cc(ccc1CO)CCCOCc2ccccc2	87
+O=S(=O)(c1ccc(cc1)Br)n2c3ccccc3cc2C=O	88
+[nH]1c(C=O)cc2c1cccc2	88
+C1(N2C(CCC2)c3n(-c4ccccc14)cnc3C=O)=O	89
+C1CN(CCC1)c2nc(cs2)C=O	90
+Clc1cc2c([nH]nc2C=O)cc1	91
+CC(C)(C)OC(N1CCN(CC1)c2cccc(c2)C(Nc3ccccc3N)=O)=O	92
+COc1c(cc(cc1)C(=O)c2ccc(c(c2)OCC)OC)[N+](=O)[O-]	93
+CC(C)(C)C(=O)Oc1cccc(CBr)c1	94
+Clc1cnc(Oc2cccc(CBr)c2)cc1	94
+BrCc1c(Cl)cc(Cl)c(c1)OC	95
+FC(F)(F)c1c(CBr)ccc(I)c1	95
+O=S(=O)(c1ccc(c(c1)Cl)CBr)C	96
+c1c(Cl)c(c(cc1OCc2ccccc2)Cl)CBr	96
+[N+](c1cc(CBr)cc(Br)c1)([O-])=O	97
+C(c1cc2c(cc1)cc(F)cc2)Br	98
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CBr	99
+CC(C)N1C(c2cc(ccc2C(=N1)Br)CBr)=O	100
+c1(OC)cc(CBr)cc(Br)c1	101
+C1CC1c2cccc(c2CCl)F	102
+COc1cc2c(ccnc2cc1)CCl	103
+FC(F)(F)c1c(F)ccc(Oc2ccc(cc2C#N)CCl)c1	104
+Clc1cc(cc(OC)c1)CCl	105
+FC1(F)Oc2c(ccc(CCl)c2)O1	106
+FC(F)(F)c1cc(ccc1CC2CCCCC2)CCl	107
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3nc(cs3)C=4CC(ON=4)c5c(CCl)cccc5	108
+O=S(=O)(c1c(CO)ccc(Br)c1)C	109
+c12c(cc(CO)c(c1)OC)cc(cc2)Br	109
+c1c(ccc([N+]([O-])=O)c1CO)C(=O)OC	110
+O=S(=O)(OCc1c(cc(C#N)c(F)c1)F)C	111
+c1c(cc(C)c2Cc3c(cccc3C)-c12)C	112
+Clc1ccc(c(C=O)c1)Sc2cccs2	113
+c1c(C=O)cc2cc(c(OC)c(c2c1)OC)OC	113
+c12c(cc(c(c1)OC)C=O)cc(cc2)Br	114
+O=Cc1ccc([N+]([O-])=O)cc1F	115
+c1(C=O)cc2nn[nH]c2cc1	116
+c1cc(ccc1C=O)-c2cnco2	116
+c1ccccc1CCCCC#Cc2ccc(C=O)cc2F	117
+O=Cc1cc(ccc1[N+]([O-])=O)C(=O)OC	118
+c12c(cc(c(c1)OC)C=O)cc(cc2)Br	119
+O=Cc1cc(ccc1[N+]([O-])=O)C(=O)OC	120
+c1c(cc(I)c(c1)C=O)Br	121
+FC(F)(F)c1ccc(cc1)-c2n(C)c(c(n2)C=O)C	122
+c1cc(ccc1C)CC2=Nn3c(C(N2)=O)c(C)nc3C(C(C)O)CCCCC	123
+c1cc(ccc1C)CC2=NC(c3c(C)nc(C(CCCCC)C(=O)C)n3N2)=O	124
+c1cc(ccc1C)CC2=NC(c3c(C)nc(C(CCCCC)C(=O)C)n3N2)=O	125
+c1cc(ccc1F)-c2c(CCl)c(nc(C(C)C)c2C(OCC)=O)C(C)C	126
+c1cc(ccc1Cl)-c2cncc(CCl)c2	127
+c1cc(ccc1)COc2ccc3c(ccc(c3)Cn4cc(c(-c5ccccc5)c4)C=O)c2	128
+c1(CCl)cccnc1N2CC(CC2)F	129
+c12c(c(Cl)ccc1)nc(-c3c(cccc3)F)c(CCl)c2	130
+c1ccccc1C(O)c2cc(C(=O)C=CN(C)C)ccc2F	131
+C(OCCCl)CC(Cl)=O	132
+FC(F)(c1ccccc1)CNc2c(F)c(c(cc2)Cl)CC(=O)O	133
+c1(N2C(CC(C(OC)=O)C2)=O)ccc(c(C)c1)O	134
+c1c(c(cc(c1)NC(CC(OC)=O)=O)F)OCc2cccc(F)c2	135
+c1ccccc1COC(=O)NC2C(CC(=O)CC2)NC(OCc3ccccc3)=O	136
+CC(C)(C)OC(=O)COCc1cc(ccn1)C(F)(F)F	137
+c1cc(ccc1)OC(=O)Nc2cc3CCCc3nc2	138
+C1CCCC1n2c(cc3c2nc(Cl)nc3)C(O)=O	139
+O=S(=O)(c1ccccc1)Nc2c(scc2)C(=O)Cl	140
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(Cl)=O)s3	140
+c1cc(c(c(C(Cl)=O)c1OC)F)OC	141
+c1ccccc1CCN2C3CC(CC2CC3)=C(c4ccccc4)c5ccc(cc5)C(Cl)=O	142
+O=S(=O)(C)c1c(-c2nocc2)c(C)c(cc1)C(Cl)=O	143
+c1ccccc1COc2cc(OCc3ccccc3)c(C(Cl)=O)cc2Br	143
+FC(F)Oc1c(F)c(C(=O)Cl)cc(c1F)F	144
+c1cc(ccc1C2CCCCC2)C(N3c4c(cccc4)Cn5c(C(=O)O)ccc5C3)=O	145
+[nH]1cc(c2ccc([N+]([O-])=O)cc12)C(=O)O	146
+c1cc(ccc1)COc2c(C(C)C)cc(-c3onc(c3)C(=O)OCC)c(OCc4ccccc4)c2	147
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)N(OC)C	148
+FC(F)(F)C(C)NC(C(c1cn(c(c1)C(Nc2cc(c(F)cc2)C)=O)C)=O)=O	149
+C1CN(CCN1CC(=O)c2cc(OC)c(cc2)OC)C=3C(=O)C=CC=CC=3	150
+c1cc(ccc1C(c2ccc(cc2)F)=C(C=CC=O)c3n(nnn3)C)F	151
+FC(F)=C(C)CCOC(c1cnc(OCCCC)cc1)=O	152
+c1ccccc1COC(c2cc(ccc2N)C#N)=O	153
+c1cc(ccc1C=CC(OCCCCCCCl)=O)OC(c2ccc(cc2)OCCOC)=O	154
+c1cc(ccc1F)Sc2c(C=O)c(ccc2)F	155
+Clc1ccc(c(Cl)c1)OC(c2sc(nn2)N=C=O)C	156
+FC(F)(F)COc1ccc(cc1)N=C=S	157
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)N=C=S)Cl	157
+C1CN(CCC12OC2)c3ncnc(Cl)c3	158
+C1COC(O1)(C2OCC(N(Cc3ccccc3)C2)=O)C	159
+CC(C)(C)OC(NCC1OC(N(C1)c2cc3CC(N(CC4CC4)c3cc2)=O)=O)=O	160
+c1cc(ccc1)C2COCC(N2)=O	161
+C1CN(CCC12C(=C(c3c(C)cc(F)c(c3)Br)C(=O)N2)O)OC	162
+c1cc(ccc1-c2c3c(nccn3c(C4N(C(=O)C#CC)CCC4)n2)N)C(=O)Nc5sc6CCCCc6n5	163
+c1(cnc(C(CCCCC#Cc2c(cccc2)Cl)=O)o1)-c3ncccc3	164
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCO	165
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC#N	166
+CC(C)(C)OC(=O)N1CC(CC(C#N)C1)N(CC(C)C)C(c2nc3ccccc3n2CCCCOC)=O	167
+CC(C)(C)C(=O)N(C1CC(C#N)N(C(OC(C)(C)C)=O)C1)C2CCC(CC2)C	168
+CC(C)(C)OC(=O)C1C2(CCC(CC2)(CN)C1)C#N	168
+CC(C)(C)OC(=O)N1CC(CC(C#N)C1)N(CC(C)C)C(c2nc3ccccc3n2CCCCOC)=O	168
+CC(C)(C)OC(=O)N1CCCC1C#N	168
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)C#N	168
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC#N	168
+[N+]([O-])(=O)c1ccccc1Oc2cc(ccc2)OC(C)C#N	168
+c1cc(ccc1C2N(C(CC)CC)C(=O)C(CC#N)(CC2c3cccc(Cl)c3)C)Cl	169
+c1cc(ccc1CC(NC(=O)CCCCCCc2ccccc2)CCC#N)OCc3ccccc3	169
+c1ccccc1-c2c3c(n(CC#N)n2)C(=O)N(c4ccc(cc4)Cl)C(=N3)c5ccc(cc5)C(C)C	169
+c1cc(ccc1CC(NC(=O)CCCCCCc2ccccc2)CCC#N)OCc3ccccc3	170
+[N+]([O-])(=O)c1ccccc1Oc2cc(ccc2)OC(C)C#N	171
+CCC=CCCC(CCC=CCC)C#N	172
+CC(C)(C)OC(C1(CCOCC1)CN2CCC(CC2)C#N)=O	173
+CN(C)C(N1CC2C(CC(C2)C#N)C1)=O	174
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)C#N	175
+c1cc(ccc1C(C(C)(C)N2CCOCC2)=O)N3CCCCC3	176
+c1cc(ccc1C(C(C)(C)N2CCOCC2)=O)N3CCCCC3	177
+CC(C)(C)OC(=O)N1C(CC2(CC2)C1)CO	178
+CC(C)(C)OC(N1CC(C(c2ccc(c(c2)Cl)Cl)C1)C(OC)=O)=O	178
+CC(C)(C)OC(N1CCC2C(c3c(scc3)C2)C1)=O	178
+CC(C)(C)OC(N1Cc2c(cccc2C1)C#N)=O	178
+CC(C)(C)OC(N1CC(F)(F)C(O)CC1)=O	179
+CC(C)(C)OC(=O)N1CCc2sccc2CC1	180
+CC(C)(C)OC(=O)N1CCC2(N(Cc3ccccc3)CCC2)C1	181
+CC(C)(C)OC(=O)N(CCc1ccc([N+](=O)[O-])cc1Cl)Cc2ccc(cc2)F	182
+CC(C)(C)OC(N1CC(c2ccc(cc2)N)SCC1)=O	183
+CC(C)(C)OC(=O)N1C(C)(C)CN(C2(CCCC2)C1)Cc3ccccc3	184
+CC(C)(C)OC(=O)N1CC(C)(C)c2cnc(Cl)cc12	185
+CC(C)(C)OC(=O)N(C1CC1)Cc2cc(Br)ccc2Cl	186
+CC(C)(C)OC(=O)N(C1CC1)Cc2cc(Br)ccc2Cl	187
+CC(C)(C)OC(=O)N(c1ccc(cc1)S(=O)(=O)C)C2CCNC2	188
+CC(C)(C)OC(=O)NCCC1CN(CC1)Cc2ccccc2	189
+CC(C)(C)OC(NCCc1ccc(Br)cn1)=O	189
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CNC(OC(C)(C)C)=O	189
+CC(C)(C)OC(NCCC1(CCN(CC1)Cc2ccccc2)O)=O	190
+CC(C)(C)OC(NC(CC(=O)OCC)Cc1c(F)ccc(F)c1)=O	191
+CC(C)(C)OC(=O)NCc1cc(F)c(cc1F)C#N	192
+CC(C)(C)OC(=O)Nc1ccc(nc1)CC(OCC)=O	193
+CC(C)(C)OC(Nc1c(OCc2ccccc2)cccc1F)=O	194
+CN(C)C(CN)(C)CCCC	195
+CN(C)C(C)(CCCC)CNC(=O)c1ccc(c(Cl)c1)Cl	196
+O=S(=O)(C(C(C)(C)O)c1cc(ccc1)OCc2ccccc2)NCc3c(cc(OC)cc3)OC	197
+c1ccccc1CCC(C)CC(=O)OCC	198
+CC(C)(C)OC(=O)N(Cc1c([N+](=O)[O-])cccc1)C(C)C	199
+c1ccccc1OCCC(N(C)C)C	200
+c1cc(ccc1C(C)=O)CC(NCC(O)c2ccccc2)C	201
+CC(C)Nc1c(Nc2ccccc2)nccc1	202
+C(C)C(CC)Nc1c(nccc1)N2CCN(CC2)C(OCc3ccccc3)=O	203
+C=1(C(=O)NC(=O)C=1c2cc(NC(CCO)C)ccc2)c3c4ccccc4n(C)c3	204
+[N-]=[N+]=NC(C)CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C	205
+C(CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C)(C)N	206
+C(CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C)(C)N	207
+CC(C)(C)[Si](C)(C)OC(Cc1ccc(cc1)F)CCC2NC(CC2)=O	208
+FC(F)(F)c1cc(Cl)c(nc1)-c2ccc(Cl)c(OC(C)C)c2	209
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(OC(C)C)ccc13)C	209
+CC(C)(C)[Si](C)(C)OCC1Cc2ccc3c(c2O1)CCC3	210
+CC(C)(C)OC(NC(CCC(SC(C)=O)CNC(=O)OCc1ccc(cc1)[N+](=O)[O-])C(OC)=O)=O	211
+c1cc(ccc1)CN2CC3C(CC(C2)C3)=O	212
+c1cc(ccc1C(C)=O)CC(C)=O	212
+C[Si](C)(C)OC(CC#C)(C(F)F)CCCC	213
+CC(C)(C)OC(N1CC(F)(F)C(CCO)CC1)=O	214
+C1CC(CCN1OC)CCO	215
+CC1(C)CCOc2cc(C(CCCCC)CO)ccc12	216
+FC(F)(F)c1ccc(Cl)cc1CC2C(=O)c3cc(c(N4CCOCC4)cc3C2)OC	217
+C1CN(CCC1C=O)OC	218
+C1CN(CCC1N(C2CC2)C(c3cnc(-c4ocnc4)cc3)=O)c5nc(no5)C(C)C	219
+C1CC(CCN1C(OCC)=O)N2CCC3(CC2)CC=C(C(N(C)C)=O)c4c3cccc4	220
+FC(F)(F)c1cc(ccc1)N2CCN(CCC2)C3CCC(CC3)c4c5ccc(cc5[nH]c4)F	220
+FC(F)(F)c1cc(ccc1)N2CCN(CCC2)C3CCC(CC3)c4c5ccc(cc5[nH]c4)F	221
+CC(C)(C)OC(=O)N1CCC(CC1)N2CCC(CC2)N3C4CCCCC4OCC3=O	222
+C1CC(CCN1c2ccc([N+](=O)[O-])c(OC)c2)N3CC(CCC3)O	223
+C1CCN(C1)C2CCN(c3ccc(Br)cn3)C2	223
+C1CC(CCC1N2CCc3c(ccnc3)C2)N(Cc4ccccc4)C	224
+C1CN(CCC1N2CCCCC2)c3ccc(cc3)CN4CCOCC4	224
+C1CN(CCO1)C(=O)Cc2cc(ccc2[N+](=O)[O-])C	225
+C1CCCN1C(=O)Cc2nc(oc2)-c3ccc(cc3)OCCCCl	226
+C1CCCCCN1C(=O)CC2CCCc3n(ncc23)-c4ccccc4	227
+C1CCCN1C(=O)Cc2ccc([N+](=O)[O-])c(c2)OC	227
+CC(C)(C(N1CCCC1)=O)Sc2cc3sc(N)nc3cc2	227
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(=O)N2CCOCC2)n1	227
+C1C(CC1N)(c2ncccc2)C#N	228
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N	228
+CC(C)(C)OC(=O)N1CC(N)CC1C(OC(C)(C)C)=O	228
+C1C(CC1N)(c2ncccc2)C#N	229
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N	229
+CC(C)(C)OC(=O)N1CC(N)CC1C(OC(C)(C)C)=O	229
+C1(CCCN(C(=O)OCC)CC1)N	230
+C1CC(CC(C1)N)c2ccc(OCOC)cc2OCOC	231
+FC(F)(F)c1c(nc(cc1)Oc2cc(ccc2)C=C3CCC(CC3)N)C	232
+Clc1ccc(N2CCC(C2)C(C)N)c([N+]([O-])=O)c1	233
+c1cc(ccc1)CN2CC(C(CC2)C(C)N)c3ccc(cc3)Cl	234
+C1CN(CCC1N)Cc2ccc(cc2)C	235
+C1CC(c2cccc(C)c12)N	236
+NC(CCC=C)c1ccccc1OC	236
+c1(c(C(CCC2CCN(CCSc3c(ccc(F)c3)F)CC2CC(=O)OC)N)c4cc(ccc4nc1)OC)F	237
+c1(cc(F)c(cc1)F)C(N)C(C)O	238
+c1cc(ccc1NS(=O)(=O)C)C(N)C	238
+c1ccccc1-c2nn(CC(=O)N)c3C(=O)N(c4ccc(cc4)Cl)C(=Nc23)c5ccc(cc5)C(C)C	239
+C1C(CC(N)=O)CC(C)CC1	240
+CC(C)(C)OC(=O)NC(CC(C)C)C(N1C(CC)CCC1C(N)=O)=O	240
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC(=O)N	240
+CC(C)(C)OC(N1C(C(N2C(C#N)CCC2)=O)C3CC1C(OCC(N)=O)C3)=O	240
+CC(C)(C)OC(NCc1c(c2c(ccc(OCCCCC(=O)N)c2)nc1CC(C)C)-c3ccc(cc3)C)=O	240
+FC(F)(F)C1(c2ccccc2-c3c(cc(cc13)OCC(C)O)-c4cn(C(C)(C)C(N)=O)nc4)O	240
+C12CC(CC(CCC1)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O)C(N)=O	241
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cn2)Nc3nc(c(cn3)C)CCc4ccccc4CC(=O)N	241
+CC(C)(C)OC(=O)Nc1cc(CCC(=O)N)ccn1	241
+CC(C)(C)OC(N1CC(C(=O)N)CC(N(C(c2n(c3c(cccc3)n2)CCCCOC)=O)CC(C)C)C1)=O	241
+CC(C)(CCC)C(N)=O	242
+c1cc(ccc1CC(CCC(N)=O)NC(=O)CCCCCCc2ccccc2)OCc3ccccc3	243
+[N+]([O-])(=O)c1ccccc1Oc2cc(OC(C(N)=O)C)ccc2	244
+c1cc(ccc1Cn2c3ccc(OC)cc3c(CC(C)CC(N)=O)c2C)Br	244
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(cc([nH]3)C=4SC(CN=4)CC(=O)N)c2	244
+c1cc(ccc1)COc2cc(ccc2Cc3ccc(cc3)CC)CC(=O)N	245
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=S)N	246
+CC(C)(C)OC(=O)Nc1nccc(CCC(=S)N)c1	247
+c1cc(ccc1Cn2c(c(CC(C)CC(=S)N)c3c2ccc(OC)c3)C)Br	248
+CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O	249
+CC(C)(C)OC(N1CCC(CC1)(C)N2CCC(CC2)NC3C(CC#N)CCCC3)=O	250
+CC(C)(C)OC(N1CCC(CC1)(C)N2CCC(CC2)NC3C(CC#N)CCCC3)=O	251
+C1CC(CCC1C(NCc2c(O)nc(nn2)N)=O)C(=O)OC	252
+c1ccccc1CCCC(C(C)O)C(NC(c2c(nc(nn2)Cc3c4ccccc4ccc3)O)C)=O	253
+C1CN2CCC1C(NC(Cc3cc4ccccc4n3C)=O)C2	254
+C1CC(CCC1C(NCC)=O)CC(=O)OCC	255
+c1cc(ccc1C#N)C(NNC(=O)C(Nc2cc(c(C#N)cc2)Cl)C(C)O)=O	256
+c1cc(ccc1C#N)C(=O)NNC(=O)C(C(O)C)Nc2ccc(c3ccccc23)C#N	257
+FC(F)(F)c1c(NC(NNC(=O)CC2CN(C(=O)C3CC3)CC2)=O)ccc(Br)c1	258
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3	259
+CC(C)(C)OC(NCC1(CC12CCCCC2)C(NO)=N)=O	259
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3	260
+CC1(C)c2c(C(C1)NS(=O)(=O)C)cccc2	261
+C1CC(CCN1c2snc(n2)C)Nc3nn4cccc(-c5cccc(N(C)C)c5)c4n3	262
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(cc(C#N)cc2)Oc3c(Br)cccc3	263
+C1CCC(C1)Oc2cc(CC(=O)Nc3c(O)c([N+](=O)[O-])ccc3)ccc2OC	264
+CC(Nc1c(Cl)nn(-c2cccnc2)c1)=O	265
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1Cc2c(C)[nH]c3c2cccc3	266
+CC(C)(C)OC(N1CC(CC1C(=O)Nc2ccc(cc2)N3C(=O)COCC3)N=[N+]=[N-])=O	266
+C1C(CC1N=[N+]=[N-])(c2ncccc2)C#N	267
+C1COCCC1C(N=[N+]=[N-])C	267
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1C(=O)OC	267
+CC(C)(C)OC(C1N(C(=O)OC(C)(C)C)CC(C1)N=[N+]=[N-])=O	267
+c1cc(ccc1Cl)C2(O)CN(Cc3cc(ccc3)OC)CC2	268
+FC(F)(F)C(C(C)(C)C(c1ccccc1)c2ccc3c(cnn3-c4ccc(cc4)F)c2)O	269
+FC(F)(F)C(CC1(C)c2cc(SC)ccc2OCC1)O	269
+C1CC(CCC1CCCCC)c2cc(c(cc2)C3CCC(CC3)C4CCC(CC4)O)F	270
+C1CC(CCC1O)(C)O	270
+CC(C)(C)OC(=O)NCCCCCC(C)O	271
+CC(C)(C)OC(NC(CCc1ccc(cc1)Br)C(C)O)=O	271
+FC(F)(F)CC(C(NS(=O)(=O)c1sc(cc1)Cl)C(O)C)C	271
+CC(C)(C)OC(=O)N1CCC(C(O)C)C1	272
+CC(C)(C)OC(=O)N1CCC(C(O)C)C1	273
+CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O	274
+CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O	275
+CC1(C)C(n2cncc2C(O)C)c3c(C(=O)O1)cccc3	276
+C1(c2cc(OC)c(cc2)OC)CC(CCC1[N+](=O)[O-])OC(=O)C	277
+c1ccccc1COc2nc(C)cc(C)c2CN3CCc4c(cc(C(OC)CC)c(Cl)c4C3=O)Cl	278
+C1CN(CCC1OC2=CC(=O)N(C=C2)c3c(cc(S(=O)(=O)C)cc3)C)c4ncc(cn4)CCC	279
+C1CN(CCC1OC2=CC(=O)N(C=C2)c3c(cc(S(=O)(=O)C)cc3)C)c4ncc(cn4)CCC	280
+CC(C)(C)OC(=O)NC1CCC(OS(=O)(=O)C)C1	281
+O=S(=O)(OC(C1C(C)(C)C1C(OCC)=O)C(Cl)Cl)c2ccc(cc2)C	282
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3ccc(cc3)CC(=O)OC)ccc2	283
+CC(C)N1CC(Oc2ccc(Cl)cc2Br)CC1	284
+c1nc(ncc1CCC)N2CCC(CC2)Oc3ccnc(O)c3	285
+FC(F)(F)c1cc(C2CCN(CC2)C(=O)OC(C)(C)C)c(cc1)Sc3ccc(cc3)Cl	286
+O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3	286
+C1CC(CCN1C)C(Cl)c2ccc(cc2)Cl	287
+C1CC(CCN1C)C(c2ccc(cc2)Cl)N3CCNCC3	288
+C1CC(CCN1C)C(O)c2ccc(cc2)Cl	289
+c1ccccc1C(C2CC(N(C2)C(c3ccccc3)C)=O)O	290
+c1cc(c2c(c1)C(=O)C(C)C2)-c3ccccn3	291
+C1CC(CCC1CCCCC)c2cccc(F)c2F	292
+C1CC(CCC1c2c(F)cc(cc2)Br)CCC	292
+O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3	292
+C1CC(CCN1C)C(Cl)c2ccc(cc2)Cl	293
+C1CC(CCN1C)C(c2ccc(cc2)Cl)N3CCNCC3	294
+C1CC(CCN1C)C(c2ccc(cc2)Cl)N3CCNCC3	295
+c1(C(CCCC)N)cc(c(OC)cc1)OC	296
+C1CC(CCN1C)c2c3c(cc4c(N(CC4)C(C)=O)c3)[nH]c2	297
+c1cc(ccc1)-c2c(c3c([nH]2)cccc3)C4CCNCC4	297
+Brc1ncc(c(C(=O)C)c1)F	298
+FC(F)(F)c1cc(N2C(C)=C(C(c3ccc(cc3[N+]([O-])=O)C#N)NC2=O)C#N)ccc1	299
+Clc1cc(c(C2CC(=O)NC(=C2C(Nc3cc(Cl)c4n[nH]cc4c3)=O)C)cc1)F	300
+C1CN(CCO1)CC=C(C[N+](=O)[O-])C	301
+CC(C)CC(=CCCC(CC)=CCOc1cc2c(OCO2)cc1)C	302
+C1CN(CCO1)S(=O)(=O)c2cc(ccc2)C(NN=C(C)c3c(ccc(Cl)c3)Cl)=O	303
+c1ccccc1C(C)=NNC(c2c(c(ccc2)[N+]([O-])=O)O)=O	304
+CC(C)(C)c1ccc(cc1)-c2n(C)nc(C(=NNC(c3ccc(C(=O)OC)c(c3)O)=O)C)c2O	305
+c1ccccc1C(F)(F)C(NO)=N	306
+FC(F)(F)Oc1ccc(cc1)C(=NO)COC	307
+C(C(=NO)c1c(F)cnc2ccc(OC)cc12)CC3CCN(CCSc4c(ccc(F)c4)F)CC3CC(=O)OC	308
+FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C	309
+FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C	310
+CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br	311
+CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br	312
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOC(C(C(=O)C)=Cc4cc([N+](=O)[O-])ccc4)=O	313
+c1cc(ccc1C(c2ccc(cc2)F)=C(C=CC(O)CC(=O)CC(OCC)=O)c3n(nnn3)C)F	314
+c1cc(ccc1C(c2ccc(cc2)F)=C(C=CC(O)CC(=O)CC(OCC)=O)c3n(nnn3)C)F	315
+C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4	316
+C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4	317
+CC(C)(CF)C(COc1ccc(Cl)cc1Cl)=O	318
+c1cc(ccc1OCC(C(CF)(CF)C)=O)Cl	318
+C(CN1C(=O)CCCC1C=CC(=O)CCCCC)#CCCCC(OC)=O	319
+C1COCCC1CC(c2cc(n(C)n2)SC)C(C=C)=O	320
+C1CC(C(C(=O)C=[N+]=[N-])CC1)C(=O)OC	321
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O	322
+CC(C)CCCC(CC(C)=O)C	323
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O	323
+CC(C)(C)c1c(O)c(c(c(C)c1)CC(=O)Cl)C	324
+c1cc(ccc1COC(CC(=O)Cl)CCCCCCCCCCC)OC	325
+c1cc(ccc1C=2C(N(C3(CCCCC3)N=2)CC(=O)Cl)=O)C	326
+c1cc(OC)cc(OC)c1C(CCCCC)CC(Cl)=O	327
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(n2)CCC(Cl)=O)Cl)OC	328
+c1cc(Cl)c(c(Cl)c1OC(C)C(Cl)=O)C	329
+c1cc(ccc1CCC)OC(C)C(Cl)=O	329
+FC(F)(F)c1cc(C(C(c2cc(F)ncc2)N(C(=O)C)C3CCCC3)O)ccc1	330
+c1cc(ccc1C2(OCC(C)(C)CO2)CSCC(=O)N3C(c4ccccc4)COC3=O)C	331
+c1cc(ccc1-c2ccccc2)C(N(C(=O)CN3C(=O)Oc4c3cc(c(C)c4)OC)C)CN5CCOCC5	332
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(O)cc4c(C(=O)C)c3	333
+CC(C)(C)OC(C1N(C(=O)C2N(C(C(NC(CSCCCCCCC)C(=O)OCC)C)=O)CCC2)CCC1)=O	334
+CC(C)(C)OC(Nc1onc(C(C)(C)CN(C)C(C)=O)c1)=O	335
+CC(C)(C)OC(Nc1onc(C(C)(C)CN(C)C(C)=O)c1)=O	336
+OC1C(O)CN(C1)C(=O)CNC(=O)c2[nH]c3ccc(Cl)cc3c2	337
+C1CC(CCN1C(C)=O)CC(NC(=O)C2CCCCC2NC(c3n(C)c4ccccc4c3)=O)C#N	338
+O=S(=O)(c1nc2CCN(C(C)=O)Cc2c(n1)-c3c(Cl)cc(Cl)cc3)C	338
+c1cc(ccc1OCCC2CCCCN2C(C)=O)-c3[nH]c4cc(ccc4n3)C(N)=O	338
+C1CC(CCO1)Oc2c3[nH]c(C4=NCC(CC(N5CCS(=O)(=O)CC5)=O)S4)cc3cc(c2)Oc6ccc(S(=O)(=O)C)nc6	339
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(N2CCN(CC2)C(OC(C)(C)C)=O)=O	339
+CC(C)(C)OC(=O)NCc1ncc(CC(N2CCc3ccccc3C2)=O)c4c1cc(OC)c(OC)c4	339
+CC(C)(C)OC(N1CC(C1)N2CCN(CC2)C(CNc3c(OC)cc(Cl)c(I)c3)=O)=O	339
+CC(C)(C)C(C(=O)N1C2C(c3c4ccc(cc4[nH]c3)F)CN(C2CC1)C5CCCC5)NC(OC(C)(C)C)=O	340
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C	340
+CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)C(CN2C(c3c(cccc3)S2)=O)=O	340
+c1ccccc1C2(O)CC(CC#N)CC3CN(C(=O)Cc4c(OC)cccc4)CC23	340
+c1ccccc1OCC(O)C2N(CCC2)C(C3N(CCC3)C(CCCCCCC)=O)=O	340
+C1CC(CCN1C(CCc2ccc(c(Cl)c2)OC)=O)COc3ccc(-c4ccc(cc4)S(=O)(=O)C)cn3	341
+CC(C)(C)OC(=O)NCC1CCCCN1C(CCCCCCCCCCCC)=O	342
+C1CC2(CCN1C(=O)c3ccc(cc3)-c4cn5c(-c6ccc(cc6)C#N)cnc5cc4)N(CCCC2)C(=O)C	343
+C1CN(CCC1Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2)C(C)=O	343
+C1N(CC1Nc2cncc(N3C(c4c(cc(cc4)Cl)C3(C)C)=O)c2)C(C)=O	343
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(C4CCN(CC4)C(C(CO)C)=O)n3)n2)o1	344
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(n3)C#Cc4c5c(ccc4)cccc5)n1)C	344
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(n(CC5CCCN5C(=O)CC#N)n3)ncnc4N)F	344
+c1cc(ccc1-c2nn(C3CCCN(C(CC#N)=O)C3)c4c2c(ncn4)N)Oc5c(cccc5)F	344
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CN(CCC4)C(CC#N)=O)Oc5c(ccc(F)c5)F	344
+CC(C)(C)OC(=O)NC1CN(CCC1N2C(c3c(cccc3)C2=O)=O)C(=O)C	345
+CC(C)(C)NC(=O)C1(CCN(CC1)C(C2C(CC(=C)C2)c3ccc(F)cc3F)=O)C4CCCCC4	346
+CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C)C2CCC(CC2)N(C)C(=O)C)=O	347
+C(CC(NCCCN1CCCC1=O)=O)C(N2CCCC2CO)=O	348
+Clc1cc(cc(Cl)c1C(C(N2CCCC2)=O)c3ccc(cc3)Cl)N4N=CC(NC4=O)=O	349
+c1cc(ccc1OC(C(N(C(C)C)Cc2nc(-c3cccnc3)no2)=O)C)CCC	349
+C1CCN1C(=O)Cc2ccc(cc2)OCCC3C(C4CCN(CC4)c5onc(C(C)C)n5)C3	350
+C1COCCN1C(=O)C2N(C(CN(C2)S(=O)(=O)c3ccc4c([nH]cc4Cl)c3)=O)CC5CCN(CC5)C=6C=CC(=O)N(C)N=6	350
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C	350
+C1CN(CCN1C(C(NC(N(CCC2CCCCC2)CCSC(=O)C)=O)C)=O)C	351
+C1CN(CCN1C(C2CCN(CC2)c3c(cncc3F)NC(c4c5n(cc(F)cn5)nc4N)=O)=O)C6COC6	351
+c1(F)cc(cc(F)c1CC(=O)N2CCC2)OCCC3C(C4CCN(CC4)c5ncc(cn5)OCC)C3	351
+C1CC2CCC1N2C(C(C)(C)c3ccc4[nH]c(-c5cc(C)cc(C)c5)c(C(C)CNC(=O)OC(C)(C)C)c4c3)=O	352
+C1COCCN1C(=O)CN2N=Nc3c(C(=O)N)ncn3C2=O	352
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)C(OCC)=O)=O)c4c(cccc4)Br	352
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C4=NCC(S4)CC(=O)N5CCS(CC5)=O)[nH]3)c2)CC)cn1	352
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(=O)N6CC(C6)C(=O)OC)CCC3)n2	352
+c1ccccc1OCC(O)C2N(CCC2)C(C3N(CCC3)C(CCCCCCC)=O)=O	353
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)N(OC)C	354
+CC(C)(C)OC(=O)N1CCC(CC1)CN(c2cccc(Cl)c2)C(CC)=O	355
+CC(C)(C)OC(N1CCc2c(c3N(CCCc3cc2CC1)C(=O)C(C)C)Cl)=O	356
+c1cc(ccc1CC(C)NC(=O)C)Br	357
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O	358
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O	359
+CC(C)(C)C(NC(Nc1ncc(Oc2ccnc(NC(=O)N3CCN(CC3)Cc4ccccc4)c2)cc1)=O)=O	360
+C1C(CC(NCC(N)=O)=O)CC(C)CC1	361
+CC(C)(C)OC(N1CCCCC1C(=O)NC(Cc2cnc(cc2)Br)C(=O)N)=O	362
+CC(C)(C)OC(NC(C1CCCCC1)C(=O)NC(C(=O)N)Cc2cnccc2)=O	362
+CN(C)C(=O)C(Cc1ccc(cc1)-c2ccccc2)NC(=O)C3(CCCC3)CC(=C)Cl	363
+O=S(=O)(C)CCC(Cc1cccc(C#N)c1)(C(=O)NCC(NCc2sc(C#N)cc2)=O)NC(=O)OC	363
+c1cccc2-c3ccccc3C(c12)COC(=O)NCC(=O)NC(Cc4ccccc4)C(NCC(=O)O)=O	364
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C(=O)NC(CCCNC(=O)N)C(=O)O	365
+CC(C)(C)OC(C(C1C(CC)CCN1)N2CCCC2C(=O)NC(CCSC)C(=O)OC)=O	366
+CC(C)CC(C(=O)NC(C(OC)=O)CCC(NCCCN=[N+]=[N-])=O)NC(C(NC(=O)OCc1ccccc1)CC#C)=O	366
+FC(F)(F)c1ccc(cc1)-c2cc(cc(CNC(CN(S(=O)(=O)c3ccc(cc3)F)C)=O)c2)F	367
+c1cc(ccc1CN2CCN(CC2)c3ncccn3)CNC(CC)=O	368
+CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O	369
+C1CC(CCN1C2CC3(C2)CN(C(=O)OCC)CC3)C(=O)NC4(CCC4)C	370
+CC(C)CC(c1csc(n1)-c2ccccc2)C(=O)NCC#N	370
+c1cc(ccc1CNC(C2(CC2)NC(=O)c3cncnc3)=O)Oc4c(cc(cc4)Br)Cl	370
+C1CN(CCC1OC(=O)NC2(CCCCC2)C(=O)NC(C(C(NC3CCCCNC3=O)=O)O)C(C)C)C(OC)=O	371
+CC(C)(C)OC(=O)NCC(N1CCC(CC1)(C(=O)NCc2c(cccn2)C)CO)=O	372
+c1cc(ccc1F)C2CC2NC(CCCC(NC(=O)c3ccc(cc3)F)C(=O)N4CCN(CC4)C)=O	372
+c1cccc2[nH]cc(CNC(C3N(C(=O)C(C)N4Cc5ccccc5C4=O)CC(O)C3)=O)c12	372
+C1CN(CCC1OC(=O)NC2(CCCCC2)C(=O)NC(C(C(NC3CCCCNC3=O)=O)O)C(C)C)C(OC)=O	373
+C1N(c2nc3c(ncnc3cc2)N)CCCC1NC(=O)CCOC	373
+CC(C)CC(NC(=O)c1cc2ccccc2s1)C(NCCCC(NS(=O)(=O)c3c(cc(cc3)F)Cl)CO)=O	373
+c1cc(ccc1C(NC2(CC2)C(NC3c4n(-c5c(cccc5)CC3)ccn4)=O)=O)F	374
+CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O	375
+c1cc(ccc1)COC(=O)CC2(CCCC2)C(NC(c3nnn[nH]3)Cc4ccc(cc4)-c5cc(Cl)ccc5)=O	376
+c1cc(ccc1C#N)CCNC(Cn2cnc3N(C(N(C)C(c23)=O)=O)C)=O	376
+c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2	376
+C1CN(CCC1Nc2ccc(N3CC(CNC(=O)C)OC3=O)cc2F)C(=O)OCc4ccccc4	377
+C1CC(CCC1)NC(C2(CC2)c3c(F)cc(cc3)Br)=O	378
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)-c3ccccc3)C(NCC4CCCCC4)=O	379
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)C(C)C(NC3CC3)=O	379
+C(C)C(CC)CNC(=O)CN1C=CC=C(NC(=O)OCc2ccccc2)C1=O	380
+CC(C)(C)OC(NCCNC(C(OCCCCC=CCC=CCC=CCC=CCC=CCC)CC)=O)=O	380
+CC(C)(C)OC(NCCOCCOCCNC(=O)COc1c(OC)cc(C=CC(=O)OC)cc1)=O	380
+CC(C)(C)NC(=O)C(CC)Oc1ccc2ncc(Br)cc2c1	381
+O=S(=O)(NCCC(=O)NC(c1cncn1C)(C)c2ccc(c(F)c2)C#N)c3cc(OC)ccc3	381
+c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2	381
+c1cc(ccc1F)-c2oc(C)c(CC(NCC3CN(C(c4cc(Cl)c(Cl)cc4)=O)CCO3)=O)n2	381
+n1c(n(Cc2c(F)cccc2Cl)c3C(N(C(=O)N(c13)C)C)=O)N4CCCC(C(NCCO)=O)C4	381
+c1ccccc1-n2nc(cc2OCC(=O)N3C(CCC3)C(NCCF)=O)C(OCC)=O	382
+C1COCCN1C=2c3ccccc3C(N(N=2)NC(=O)Cc4c(OC)cccc4)=O	383
+C1CCCCC1CNC(=O)NNC(CCN2CCN(CC2)c3ccccc3OC)=O	384
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)NC(=O)C4C(C(=O)NO)CC5(CC5)CN4C	385
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C	386
+c1cc(ccc1)C=2C=CN(CCC(C)(S(=O)(=O)C)C(NO)=O)C(=O)C=2C	386
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C	387
+c1cc(ccc1)C=2C=CN(CCC(C)(S(=O)(=O)C)C(NO)=O)C(=O)C=2C	387
+C1CC(CCC1)CCCC(CC(NO)=O)c2nc(no2)C(=O)N3CC(C3)N(C)C	388
+C1CC1C#Cc2cc(no2)CCC(S(=O)(=O)C)(C)C(NOC3CCCCO3)=O	389
+O=S(=O)(C(CCc1ccc(cc1)Br)(C(NOC2CCCCO2)=O)C)C	389
+c1cc(ccc1)C=2C=CN(C(=O)C=2C)CCC(C)(C(NOC3CCCCO3)=O)S(=O)(=O)C	389
+CC(C)(C)OC(=O)NC1(CC1CC)C(NS(=O)(=O)OC2(CC2)C)=O	390
+c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl	391
+c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F	392
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3	393
+C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C	393
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3	394
+C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C	394
+n1c(N)c(c(nc1-n2nc(Sc3ccccc3F)c4c2cccc4)N)NC(C)=O	395
+C1CCCC1CC(C(=O)Nc2nn(cc2)CC(C)(C)O)N3C(C=C(C=N3)Oc4c(C)ccc(C)c4C)=O	396
+C1CCCC1CC(C(Nc2ncc(Br)cc2)=O)c3ccc(c(F)c3)-n4c(nnn4)C	396
+C1CCCC1CC(C(=O)Nc2nn(cc2)CC(C)(C)O)N3C(C=C(C=N3)Oc4c(C)ccc(C)c4C)=O	397
+O=S(=O)(C)c1c(C)cc(cc1)C(C(Nc2nn(cc2)CC(C)(C)O)=O)CC3CC(CC3)=O	398
+FC(F)(F)C1N(c2ncc(cn2)-c3cccc(NC(C(C)n4cnc5N(C)C(=O)N(C(=O)c45)C)=O)n3)CCC1	399
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(c3)-c4cccc(C(=O)NC(C)(C)C(Nc5noc(C)c5)=O)c4)o2	399
+c1cc(ccc1)C(c2cc3[nH]nc(-c4ccccc4)c3cc2)C(C)(C)C(=O)Nc5sccn5	400
+CC(C)(C)OC(NC(C(Nc1ncccc1C(C2CCCCC2)=O)=O)c3sccc3)=O	401
+CCN(CC)C(c1cnc(c(c1)NC(=O)Cc2ccc(cc2)OCC)NCC=C)=O	402
+CC(C)(C)OC(=O)NC(C)(C(=O)Nc1ccc(nc1)Oc2cccc3OCC(C)Cc23)CC	403
+FC(F)(F)c1cc(ccc1)S(=O)(=O)CCSc2c(NC(Cc3c(cccc3)OC)=O)cccn2	403
+CC(C)(C)c1cc(n(n1)-c2ccc(cc2)NC(CCOC)=O)NC(=O)Nc3ccc(cc3)Oc4ccncc4	404
+CC(C)(CC)c1ccc(OC(C(=O)Nc2cc(O)c(cc2)NC(=O)C(F)(F)C(Cl)F)CC)c(c1)C(C)(C)CC	404
+CC(C)(CC)c1ccc(OCC(=O)Nc2ccc(cc2)Nc3cc(ccc3)O)c(C(C)(C)CC)c1	404
+O(CC)C(=O)C(C(OCC)=O)CC(c1ccc(cc1)-c2ccc(cc2)NC(CCCC)=O)=O	404
+c1(c[nH]c2c1cc(cc2)NC(CCCCC)=O)Cc3c(cc(cc3)C(=O)OC)OC	404
+c12c(-c3c(c4c(cccc4)c(n3)O)C1)ccc(NC(=O)CCl)c2	404
+c1cc(ccc1N2CCc3cc(ccc3C2Cc4ccc(cc4)OCc5ccccc5)OC)NC(=O)C	404
+c1cc(ccc1NC(=O)CCCl)Nc2nc(c(cn2)Br)Nc3ccccc3	404
+c1cc(ccc1NC(N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2)=O)NC(C)=O	404
+n1cc(-c2cc(NC(CC)=O)ccc2)nc3ccccc13	404
+O=S(=O)(Nc1scnn1)c2ccc(cc2)NC(=O)CCCCCCCCC	405
+c1cc(ccc1Cl)CN2C(C(=NN(c3cccc(NC(=O)COC)c3)C2=O)OC)=O	405
+CC(C)(C)C(=O)OCn1nc(N2C(C(C(O)C(Nc3ccc(cc3C(N)=O)I)=O)OCC2)=O)cc1	406
+c1ccccc1CCC(C(NC(CC(C)C)C(Nc2ccccc2)=O)=O)CSC(C)=O	406
+c12c3c(C(N(C(=O)c3cc(C(O)=O)c1)CCCC(O)=O)=O)cc(NC(=O)C)c2	407
+c1c(-n2ccnc2)cccc1NC(C)=O	407
+c1c(C)c(c(cc1-c2nc3ccc(cc3c(O)n2)NC(C)=O)C)O	407
+c1cc(ccc1Br)CN(c2ccc(cc2)NC(=O)C)n3cnnc3	407
+c1cc(ccc1C=2c3c(CC(NN=2)=O)cc4OCOc4c3)NC(C)=O	407
+c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl	407
+c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F	407
+FC(F)(F)C(NC(=O)C(N1CCC(C1(C)C)C(Nc2cc(c(F)c(c2)F)Cl)=O)=O)C	408
+c1cc(ccc1)NC(=O)C2CCN(CC2)Cc3ccc(cc3)-c4nc5c(cc4-c6ccccc6)cnc7n5nc(C)c7	408
+CC(C)(C)OC(=O)N1CC(OC)CC1C(=O)Nc2ccc(cc2F)-n3ccc(C)n3	409
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(Nc3c(cccc3)N)=O	409
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(Nc2ccccc2)=O)CNC(C)=O	409
+CC(C)(C)OC(N1CC(C(Nc2ccc(cc2)Cl)=O)CC(N=[N+]=[N-])C1)=O	409
+CC(C)[Si](C(C)C)(C(C)C)OCC(c1ccccc1)C(Nc2cc3c(cncc3)cc2)=O	409
+c1cc(N)c(NC(CCCCCCCNC(=O)c2c(C)[nH]c(C=NN=C3c4c(ccc(F)c4)NC3=O)c2C)=O)cc1	409
+CC(C)(C)OC(NCCC(Nc1ccc2c(n(S(=O)(=O)c3c4c(cccc4)ccc3)nc2)c1)=O)=O	410
+FC(F)(F)C(O)(C(Nc1ccc(c(OC)c1)S(=O)(=O)c2ccncc2)=O)C	410
+CC(C)C(=O)Nc1cccc(Oc2cc(F)cc(Nc3c(F)cc(cc3)I)c2C(N)=O)c1	411
+c1cc(ccc1OCCCCCCCCCCCCCC)CC(=O)Nc2cccc(CO)c2	412
+c12NC(Cc1ccc(c2)-c3cc(OCC)ccc3)=O	413
+C1OC(CCC1)OCC2CCc3cc(NC(C)=O)ccc3O2	414
+O=S1(=O)CCCN1c2ccc(cc2)NC(=O)C(CCC)Oc3cccc(-c4noc(n4)C)c3	415
+C1CC(CCO1)CC(C(=O)N(C)OC)c2nn(C)c(SC)c2	416
+C1CN(CCC1)CCCCCCCCCC(CBr)OC(=O)C	417
+c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3N2C(C3(Br)C(c4cc5COCCn5n4)OC(C)=O)=O)=O	418
+c1cc(ccc1CN(Cc2n(ccn2)C)Cc3[nH]ccn3)CN(CCC(=O)OCC)CCCCN(CCC)CCC	419
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(Cc4ccc(cc4)C)c(cc3c2)COC(C)=O	420
+FC(F)(F)C(Cl)=CC1C(C)(C)C1C(=O)OCc2c(c(F)nc(c2Cl)F)Cl	421
+Brc1cccc(Br)c1COC(C)=O	422
+C(OC(=O)C)c1c(Br)c(C)cc(OC(=O)C)c1	422
+CC(C)(O)c1ccc2c(CCN(C2=O)c3cccc(Br)c3COC(=O)C)c1	423
+CC(C)(C)OC(N1CCC2(CC1)c3n(c(cc3)C#N)-c4c(cc(COC(C)=O)cc4)O2)=O	424
+c1(Br)cc(cc(Br)c1COC(C)=O)F	425
+Cc1cc(cc(C)c1O)CC(OC)=O	426
+Cc1nc(N)nc(NCCCCC)c1Cc2ccc(cc2F)CC(OC)=O	427
+C(CCCCCCC(=O)OCCCCCC)C=CCCCCCCCC	428
+c1cc(ccc1)COC(COc2cc(C)c(c(c2)C)S(=O)(=O)Cl)=O	428
+c1cc(ccc1C(N2CC(=NOC)CC2C(=O)OC3CCCC3)=O)-c4ccccc4C	429
+C1CC(CCN1C(c2ccccc2)C(OC3CN4CCC3CC4)=O)C(N)=O	430
+C1CC(=O)N(C1=O)OC(CCCOc2cc3c(C(CCCN(C)C)c4c(cccc4)CC3)cc2)=O	431
+CC(C)C(c1cc(C)ccc1OC)CCC(=O)O	432
+C1N(CC1SC(=O)C)c2scc(C(=O)NC3CN(CC3)C(=O)OCc4ccc(cc4)[N+]([O-])=O)n2	433
+CC(C)(C)OC(NCC(SC(C)=O)C)=O	434
+c1cc(ccc1C(Cc2c(ccc(-c3sccc3)c2)OC)=O)F	435
+CC(C)(C)OC(=O)N1CC(C(c2cc(F)c(Cl)cc2)=O)CC1	436
+c1cc(ccc1CC(=O)c2ccc(cc2)F)SC	437
+CCC(c1cccnc1F)=O	438
+n1ccc2cccc(c2c1)C(=O)C	439
+C1CCCCN1c2ccc(cc2)C3(OC)OC3(C)C	440
+O=S(=O)(c1cc2C(C(C)(C)C(Nc2cc1)c3cc(ccc3)[N+](=O)[O-])O)C	441
+CC1(C)c2ccc(NC(=O)C)cc2NC(C1)=O	442
+O=S(=O)(c1ccc2NC(C(C)(C)Cc2c1)c3cccc([N+](=O)[O-])c3)C	443
+O=S(=O)(c1ccc2NC(C(C)(C)Cc2c1)c3cccc([N+](=O)[O-])c3)C	444
+c1cc(ccn1)-c2cc3c(C(NC(CCC)(CCC)N3)=O)s2	445
+COc1cc2CC3(C(=CC(=O)CC3)c2cc1)C	446
+c1c(c(c2c(c1)C3=CC(=O)CCC3(CCCC)C2)C)OC	446
+CC1(C)CC2(CC1)CNC(=O)C2	447
+O=S(=O)(c1ccc(c(Cl)c1C=2CC(ON=2)C)C(=O)OC)C	448
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=4CC(ON=4)C(OC)OC	449
+c1ccccc1C(c2ccccc2)C3OC3	450
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(C3=C(N(CC(C)(C)O)N(c4ccccc4)C3=O)C)=O	451
+c1ccccc1N2N(C(=C(C(Nc3cc(F)c(O)cc3Cl)=O)C2=O)C)C	452
+c1cc(ccc1C(=O)C)N2C(CC)=NC(CCC)=C(Cc3ccc(cc3)-c4ccccc4C#N)C2=O	453
+CC(C)(C)[Si](C)(C)OCC1=CC([N+](=O)C=C1)=C=[N-]	454
+c1c(F)c(ccc1F)C(Cn2ncnc2)(C(C)C=3C=C[N+](=O)C(C=3)=C=[N-])O	455
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CN3C(=O)N(N=C3CCCC)c4c(ccc(C(=O)OC)c4)Cl)cccc1	456
+FC(F)(F)c1cc(ccc1N2C(=NNC2=O)CC3CCN(C3)C(=O)C4CC4)Br	457
+FC(F)(F)c1cc(ccc1N2C(=NNC2=O)CC3CCN(C3)C(=O)C4CC4)Br	458
+COc1ccc(CCBr)c([N+]([O-])=O)c1	459
+C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O	460
+C1CC(CCC1CCCCC)CBr	460
+C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O	461
+C1CC(CC1CBr)CC	462
+n1c(c2c(nc1NCc3ccc(c(Cl)c3)Cl)ncn2CCCCBr)O	463
+C(CCCCCCCCCCCCBr)CCCCOC(C)=O	464
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCBr	465
+O=S1(=O)CCC(CC1)CCBr	466
+CC(C)(C)OC(=O)NC(CC#N)Cc1ccccc1	467
+C(OC)(=O)NC1(C(CC#N)C1)c2cc([N+]([O-])=O)ccc2	468
+CC(C)(C)OC(=O)NC(CC#N)Cc1ccccc1	468
+CC(C)(C)OC(=O)NC1C(CCCC1)CC#N	468
+CC(C)(n1ncc(c1)-c2ncnc3c2cc[nH]3)CCC#N	468
+CC1(C)C(Cl)(Cl)C1CC#N	468
+FC(F)(F)C(CCC#N)C	468
+C[Si](C)(C)CCOC(C(CC)c1c(I)cccc1)=O	469
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2ncnc3sc4CCC(CC(=O)N)c4c23)C	470
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2ncnc3sc4CCC(CC(CC)O)c4c23	471
+Clc1cc(Cl)c(N2CCCn3c2nc4c(Cl)ccc(c34)C(CC)O)cc1	472
+C1(c2c[nH]c3c2cccc3)(CCc4cc(ccc14)F)CC	473
+CC(C)C(c1cc(C)ccc1OC)CCC(N)=O	474
+O(c1c2cc(c(OC)cc2ncc1)OC)c3ccc(C)cc3C(=O)CC	475
+CC(C)(C)[Si](C)(C)OC1C(C(c2cnccc2)OC1)CCC(=O)OC	476
+C(CCCCCCCC(OC)=O)CCCCCCCCC(CC)C	477
+C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC	477
+C(CCCCCCCC(OC)=O)CCCCCCCCC(CC)C	478
+C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC	478
+c1cc(ccc1C2CCC(CC2)CCCCCOC)Cl	478
+CC(C)(CC=C)CCO	479
+c1cc(ccc1S(=O)(=O)n2c3ccc(cc3c(C4C(CCO)C4)c2)C#N)C	480
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)CCCO)cnc23	481
+c1ccccc1-c2ccc(cc2)CCCCCO	481
+c1cc(ccc1C2CCC(CC2)C(=O)OC)CCC3CCC(CC3)CCC	482
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)OC	483
+c1cc(ccc1Cl)-c2c(ncc(C(=O)NC3CCCCC3O)c2)CCCOC	484
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(Cl)cnc(CCCO)c4	485
+c1ccc(CCC)cc1OCOC	486
+c1nn(c2c1C(CCCl)CCC2)-c3cc(c(cc3)Cl)Cl	487
+c1ccccc1OCCCCC(CCl)C	488
+c1ccccc1OCCCCC(CCl)C	489
+C(OC(=O)CCOCCCl)C	490
+CC(C)(n1ncc(c1)[N+]([O-])=O)CI	491
+CC(C)(C)OC(Nc1ccc(CCI)nc1)=O	492
+FC(F)(CI)c1ncc(cc1)C	492
+FC(F)(F)CCC(c1cccc(c1)Cl)CI	493
+C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O	494
+C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O	495
+CC(C)(n1ncc(c1)[N+]([O-])=O)CI	495
+ICC(COCCCCCCCC)OCCCCCCCC	495
+CC(C)(C)[Si](C)(C)OC(CCC1CCC(N1CCCc2ccc(cc2)C(=O)OC)=O)Cc3ccc(cc3)F	496
+CC(C)(C)[Si](C)(C)OC(Cc1cc(-c2ccccc2)ccc1)CCC3CCC(N3CCCc4ccc(cc4)C(=O)OC)=O	496
+CC(C)(C)OC(N(C1CCN(CC1)C(OCc2ccccc2)=O)CCNC(OC(C)(C)C)=O)=O	497
+CC(C)(C)OC(N(C1CCN(CC1)Cc2ccccc2)CCP(OCC)(OCC)=O)=O	498
+c1cc(ccc1CN(CC)C(=O)COc2ccc(cc2)CCSc3c(cccc3)C(OC)=O)Cl	499
+c1cc(ccc1CN(CC)C(=O)COc2ccc(cc2)CCSc3c(cccc3)C(OC)=O)Cl	500
+C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O	501
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(Cc2ccc(cc2)Cl)CCN(CC)CC	502
+CC(C)(C)OC(=O)N(CC(c1cccnc1)O)CCCc2ccc(cc2)Br	503
+CC(C)(C)OC(=O)N(CC(c1cccnc1)O)CCCc2ccc(cc2)Br	504
+C1CN(CCN1CCOc2c(cc3c(c(Nc4cc(ccc4)Br)ncn3)c2)OC)CC(=O)OCC	505
+c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O	506
+c1cc(ccc1C)NC(CC2(NC(Nc3cccc(c3)OC)=O)C(N(c4ccccc24)CCN(C)C)=O)=O	507
+C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC	508
+C1CN(CCC1(CN2CCN(CC2)Cc3ccccc3)c4ccccc4)C	509
+C1CN(CCN1c2ccccn2)CC3CCCC4(OCCO4)C3	509
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2c3cccc(c3C=CC2=O)OC)Cc4cc5OCCOc5cc4	510
+O=C1N(c2cc(OC)ccc2C(C)=C1)CCN3CC(C(OCC)=O)N(CC3)CCc4ccc5c(c4)OCCO5	510
+c1cc(ccc1C#N)-c2nnn(Cc3cc(C(=O)Nc4sc5CC(CCc5n4)N(CCOC)C)ccc3)c2	511
+C(CN1CCC2N3c4c(C2C1)cc(-c5c(c(Cl)ccc5)Cl)cc4CCC3)C	512
+C1CC(CCC1N(CCCOc2c(Cl)cc(c(c2)OC)CO)C)OC(C(c3cccs3)(c4cccs4)O)=O	512
+C1CN(CCN1CCCCC23c4c(NC2=O)cccc4CCC3)C5c6c(cccc6)CCCC5	512
+c1cc(ccc1CC=2c3c(cccc3)C(N(N=2)CC4CCCN4CCN5C(c6c(C5=O)cccc6)=O)=O)Cl	512
+C1N(CC1(O)c2cc(cc(F)c2)Cl)CC	513
+C1CCCN1c2c3c4ccccc4n(c3nc(N5CCCC5)n2)CCN6CCCCC6	514
+C1CCN(C1)CC2CCN(CC2)C(CC3C(=O)NC=CN3S(=O)(=O)c4cc(C)c(Cl)cc4C)=O	514
+C1CN(CCN1c2ccc(cc2)OCCOC)CCN3C4N=C5N(N)C=NC(=C5N4N(C)C3=O)c6ccco6	514
+C1CN(CCO1)CCCCn2cnc3nc(NCc4ccc(c(Cl)c4)Cl)nc(O)c23	514
+C1CN(CCO1)CCCc2cc(c3n2ncnc3N)Br	514
+CC(C)(C)OC(NC(Cc1cnccc1)CN2CCC(CC2)C(c3ccc(cc3)F)=O)=O	514
+CC(C)(C)OC(NCC(CN1CCC(CC1)Oc2ccc(cc2)F)NC(OCc3ccccc3)=O)=O	514
+CC(C)(C)n1nc(CCCN2CCN(CC2)c3ccc(cc3)Cl)cc1-c4ccc(cc4)Cl	514
+CN(C)CCCOc1cc(Nc2cc(-c3c(-c4cnccc4)c(C#N)c(SC)s3)c(cc2)C)ccc1	514
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4c(C(C)(C)C)cccc4)O	514
+O=C1N(c2cc(OC)ccc2C(C)=C1)CCN3CC(C(OCC)=O)N(CC3)CCc4ccc5c(c4)OCCO5	515
+c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O	515
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2c3cccc(c3C=CC2=O)OC)Cc4cc5OCCOc5cc4	516
+CC(C)(C)OC(NC(C(NC1C(O)CN(CCC)C(CC1)C)=O)CC2CCCCC2)=O	517
+c1cc(ccc1C2(O)CN(CC2)CCCOc3cc(OC)c(cc3C(=O)OC)Cl)Cl	518
+FC(F)(F)c1ccc(cc1)C23CN(CCCN4C=C(C(=O)NC4=O)c5c(F)nc(C)cc5)CC2C3	519
+C1CCCN(CC1)CCC2CCCc3n(ncc23)-c4ccccc4	520
+C1CN(CCO1)CCc2c(ccc(C)c2)[N+](=O)[O-]	520
+C1COCCN1CC2Cc3ccccc3CN2C(=O)OCc4ccccc4	520
+CC(C)(C)OC(N(CCCCN1CCN(CC1)c2cc(nc(n2)C(C)(C)C)C3CCC3)C)=O	520
+CC(C)(C)[Si](C)(C)OCc1cccc(n1)CCCN2CCOCC2	520
+CC(C)(Sc1cc2sc(N)nc2cc1)CN3CCCC3	520
+C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F	521
+CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCC(CC2)Oc3c(cc(F)cc3)C#N	522
+c1cc(ccc1)C2CCN(CC2)CCC3c4cnn(-c5cc(c(cc5)Cl)Cl)c4CCC3	522
+c1cc(ccc1S(=O)(=O)n2c(cc3c2nccc3)-c4c5c(n(c4)CCN6CCOCC6)cc(c(OC)n5)OC)C	523
+C1C(CN1CC2Oc3c4ccc(C)nc4ccc3OC2)Cc5cn(c6c5cc(F)cc6)C	524
+C1CC(CCN1CCC2CCC(CC2)NC(=O)C)C(=O)c3ccc(F)s3	524
+C1CCCN1CC2(CCN(CC2)c3ncnc4nc[nH]c34)c5cccc(-c6cnn(C)c6)c5	524
+C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC	524
+C1CN(CCN1CCc2c(cccc2)[N+]([O-])=O)c3nsc4c3cccc4	524
+C1CN(CCN1CCc2c3ccc(cc3oc2)OC)c4c5ncccc5ccc4	524
+C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F	524
+C1CN(CCN1CCn2ccc3c4nc(-c5occc5)nn4c(nc23)N)C(Cc6ccc(cc6F)F)=O	524
+C1CN(CCO1)CC2Oc3c(ccc(S(=O)(=O)C)c3)CC2	524
+C1CNCCN1CCOc2c(cc(F)cc2)F	524
+C1COCCN1CCc2sc3c(c2)c(N)nc(-c4cccc(C#N)c4)n3	524
+CC(C)(C)C(=O)Nc1cccc(-c2c(cc(CCN(C)C)c(c2)OC)OC)n1	524
+CC(C)(C)OC(=O)NC1CC(CN2CCC(CC2)Cc3ccccc3)CC1	524
+CC(C)(C)OC(=O)NC1CCN(CC1)CCSc2cnc3c(cc(cc3)OC)c2	524
+CC(C)(C)OC(N1CCN(CC1)CCCCc2cn(c3c(nc(CCCC)nc23)N)COCc4ccccc4)=O	524
+CC(C)C(N(C(c1cc(c(cc1)F)C)=O)C)CN2CCC(CC2)O	524
+CC1(C)Oc2c(c(CCN3CCC(CC3)C(=O)OCC)ccc2)CO1	524
+CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O	524
+CN(C)CCCn1c2c(ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)c2)nc1	524
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1	524
+FC(F)(F)C(N(c1ccc(CCC(OCC)=O)c(F)c1)Cc2ccc3c(c2C)N(CCN4CCCCC4)CCC3)=O	524
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4nc(CC(F)(F)F)cn4CCN5CCC5	524
+FC(F)(F)c1ccc(cc1)-c2c3c(cc(cc3)C#CCCCN4CCC4)sn2	524
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(c(OC)c3)C=4NOC(=O)N=4)c(n2)CCCN5CCC5	524
+c12c(OC(CO1)CN3CC(Cc4c[nH]c5cc(F)ccc45)CCC3)c6c(nc(cc6)C)cc2	524
+c1cc(ccc1)C2=CN(C(c3ccccc23)=O)CCCN4CCCCC4	524
+c1cc(ccc1)C2CCN(CC2)CCC3c4cnn(-c5cc(c(cc5)Cl)Cl)c4CCC3	524
+c1cc(ccc1)CN2CC3CCC(C2)C3N(C)CCCC(c4ccc(cc4)C#N)Oc5ccc(c(OC)c5)OC	524
+c1cc(ccc1OCc2ccccn2)-c3nc(CCN4CCCC4)c(C)o3	524
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1	525
+CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O	526
+CC(C)(C)C(=O)Nc1cccc(-c2c(cc(CCN(C)C)c(c2)OC)OC)n1	527
+c1cc(ccc1)C(C)(CN(C)S(=O)(=O)c2ccccc2)CC=C(C)C	528
+FC(F)(F)c1cc(c(cc1)N(CC)CC2CCC(CC2)CC(=O)OCC)C=O	529
+FC(F)(F)c1cc(c(cc1)N(CC)CC2CCC(CC2)CC(=O)OCC)C=O	530
+FC1(F)C(C2c3ccccc3N(CC(N)=O)CC2)C1	531
+FC1(F)CC1C2c3c(cccc3)N(CCN)CC2	532
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)N(Cc3cc(C)c(OCC(=O)OCC)cc3)CCCC	533
+c12c(cccc1)C(=O)N(C2=O)CCCCC=C	534
+c1ccc2c(c1)C(=O)N(C2=O)CC3CS(=O)(=O)N(C3)CC	535
+c12c(cccc1)C(=O)N(C2=O)CCCc3ccc(cc3)CCCCC	536
+C1CC(CCO1)N(c2cccc(C(OC)=O)c2Br)CC	537
+FC(F)(F)COc1ccc(cc1N2CCNCC2)F	538
+C1CN(CCN1)c2c(c(C)ccc2)C=3CC(C)(C)CC(C)(C)C=3	539
+CCN(c1cc(Cl)c(F)cc1)C(C)=O	540
+FC1(F)C(C2CCN3CCNCc4c3c2ccc4)C1	541
+CC(C)(C)OC(N(C(CCN1c2c(N(c3c(F)cccc3)S1(=O)=O)cccc2)c4ccccc4)C)=O	542
+c1c2c(CC(N(CCCNC(=O)Cc3cc(OC)c(OC)cc3[N+]([O-])=O)C)CC2)cc(c1)OC	543
+C1CCC(C1)C(=O)NCCn2c3CCN(Cc3c4cc(ccc24)C)C	544
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	545
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	546
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CCNC(=O)c3cccnc3	547
+CC(C)(C)OC(=O)N1CC(C1)(CNC(=O)c2c(ccc(F)c2Cl)F)C3CCCCN3C	548
+CC(C)(CNC(c1ccc(c(Cl)c1)Cl)=O)NCCC=C	548
+CN(C)C(C)(CCCC)CNC(=O)c1ccc(c(Cl)c1)Cl	548
+CC(C)(C)OC(=O)N(C)C(CNC(=O)c1cccc(C(OCCNC(OC)=O)c2cc(Cl)ccc2)c1)CC3CCCOC3	549
+c1cc(ccc1)C(=O)N(C)C(CCNC(=O)c2ccnc3ccccc23)Cc4ccccc4	550
+CC(C)(C)OC(=O)NC(CNCC(Cn1c2ccc(F)cc2c3c1ccc(F)c3)O)C	551
+CC(C)(C)OC(N1CCN(CC1)C(c2c(cccc2)F)CNCC(CC)CC)=O	552
+FC1(F)C(C2CCN3CCNCc4c3c2ccc4)C1	553
+c1cc(ccc1Nc2ncc(cc2)C(=O)N)CCNCc3ccccc3	554
+c1(cc(ccc1F)CC2CNCCO2)C	555
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)CNC3CC3c4ccccc4	556
+CC(C)(C)OC(=O)NC(CO)CNCCN	556
+C1CC(CCC1CNCC)CC(=O)OCC	557
+c1cc(ccc1Cl)CNCC	557
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CNCC(F)(F)F)=O)cnc12	558
+CC(C)(C)OC(=O)N1C(CC2CCCC12)CNCc3ccccc3	559
+CC(C)(C)OC(=O)N1C(CNCc2ccccc2Cl)(CCC1)C	559
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)CNC3CC3c4ccccc4	559
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CNCC(F)(F)F)=O)cnc12	559
+O=S1(=O)c2c(C(c3ccccc3)NC(CC)(C1)CCCC)cc(c(CCCNCCS(=O)(=O)O)c2)OC	559
+c1(Cl)cc(cc(Cl)c1NCC(OCC)=O)CCNC(C(c2ccc(cc2)O)O)C	559
+c1cc(ccc1)CCOCCC(N(C)CCNCC(O)c2c3SC(=O)Nc3c(OCc4ccccc4)cc2)=O	560
+c1cc(ccc1)CCOCCC(N(C)CCNCC(O)c2c3SC(=O)Nc3c(OCc4ccccc4)cc2)=O	561
+FC(F)(F)c1cc(-c2[nH]c(nc2)C3CCC(CC3)CNCC)ccc1	562
+C1CN2CCC1C(NCCc3n(C)c4ccccc4c3)C2	563
+FC(F)(F)Oc1ccc(cc1)CNCC	563
+c1cc(ccc1Br)CCCNCC(c2cccnc2)O	563
+C1CN2CCC1C(NCCc3n(C)c4ccccc4c3)C2	564
+c1cc(ccc1C(OCC)=O)-c2cc(-c3ccc4C(C)(C)CCC(C)(C)c4c3)c(cc2)OCCCNC5CC5	565
+CC(C)(C)OC(NC(C(O)CNCc1cc(ccc1)OC)Cc2cc(F)cc(F)c2)=O	566
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(C)c(OCCNCCO)c(CC)c4)c2)OC	567
+C1c2ccccc2CC1NCCCC3N(CCCC3)Cc4ccccc4	567
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)CNCCO	567
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCNC(C)C	567
+c1cc(ccc1CCNC)-n2c3c(c(C)cc(C)n3)nc2CC	567
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCNC(C)C	568
+O=S(=O)(NCCOc1c(cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)cc1Br)OCC)C	569
+n1cccnc1NCCN2CC(O)C(CC2)NCc3ccccc3	570
+CC(C)(C)OC(N1CCC(CC1)(CCCNc2ccc(nc2C)N3CC(CC3)N4CCCC4C)C(=O)OCC)=O	571
+C[Si](C)(C)CCOCN1C(c2cc(ccc2N=C1n3ncc(C(OCC)=O)c3)NCC)=O	572
+CC(C)(C)OC(=O)NC(CN=[N+]=[N-])CCC(OC)=O	573
+C(C)(=O)CC(C(O)CN=[N+]=[N-])O	574
+CC(C)(C)OC(=O)NC(CN=[N+]=[N-])CCC(OC)=O	574
+CC(C)(C)OC(N1CC(CC1CN=[N+]=[N-])O)=O	574
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(N3C(=O)OC(CN=[N+]=[N-])C3)cc2)F)=O	574
+CC(OC1CC2C(C(CCC2(C)C1=C)C3(C)C(COC(=O)C)CC(OC(=O)C)CC3)CN=[N+]=[N-])=O	574
+[N-]=[N+]=NCCCCC#C	574
+[N-]=[N+]=NCCCC1NC(c2[nH]c3c(cc(OC)cc3)c2C1)=O	575
+c1cc(ccc1CCCCN=[N+]=[N-])OC	575
+FC(F)(c1ccc(C)cn1)CN=[N+]=[N-]	576
+C(C=CCC=CCCCCC)C=CCC=CCCCCN=[N+]=[N-]	577
+CC(C)(C)OC(=O)N1CC(CC(CN=[N+]=[N-])C1)N2C(c3c(noc3C)-c4c(Cl)cccc24)=O	578
+c1cc(ccc1C#N)C(CCN=[N+]=[N-])n2ccnc2	579
+CC(C)(C)OC(=O)N1CC(CC(CN=[N+]=[N-])C1)N2C(c3c(noc3C)-c4c(Cl)cccc24)=O	580
+CC(C)(C)OC(NC(CC1CCCOC1)CN=[N+]=[N-])=O	580
+Cc1ccccc1-c2c(ccc3CC(CN=[N+]=[N-])Oc23)F	580
+FC(F)(c1ccc(C)cn1)CN=[N+]=[N-]	580
+O=S(=O)(C)c1cc(C(CCN=[N+]=[N-])NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)ccn1	581
+c1cc(ccc1C#N)C(CCN=[N+]=[N-])n2ccnc2	581
+CC(C)(C)OC(C1CC2(CCC1(CC2)CN)CN)=O	582
+CC(C)(C)OC(=O)NC(CN)C	583
+CC(C)(C)OC(C1CC2(CCC1(CC2)CN)CN)=O	583
+FC(F)(c1ccc(C)cn1)CN	584
+C(C=CCC=CCCCCC)C=CCC=CCCCCN	585
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	586
+C1COCCN1CCCN2C=3c4cc5OCOc5cc4C(C=3c6c(cc(c(OCCCN)c6)OC)C2=O)=O	587
+NCCc1cc(Cc2cccnc2)cc(CCC(OCC)=O)c1	588
+c1cc(ccc1SC(C#N)(CCCCCN)c2ccc(OC)c(c2)OC)C	589
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCN)OC)OC	590
+FC(F)(c1ccc(C)cn1)CN	591
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	592
+O=S1(=O)N(CC(CN)C1)CC	593
+c1cc(ccc1CCCN)CCCCC	594
+CC(C)(C)OC(N1CCC(CC1)(CN)F)=O	595
+O=S1(=O)N(CC(CN)C1)CC	595
+c1cc(ccc1C(n2cncc2)CCN)C#N	596
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	597
+CC(C)(C)OC(NC(CC1CCCOC1)CN)=O	598
+C(C=CCC=CCCCCC)C=CCC=CCCCCN	599
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	599
+CC(C)(C)OC(NC(CC1CCCOC1)CN)=O	599
+CC(C)(C)OC(NC(COC)CN)=O	599
+Cc1ccccc1-c2c(ccc3c2OC(CN)C3)F	599
+FC(F)(c1ccc(C)cn1)CN	599
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	600
+O(CC)P(OCC)(CCOCCN)=O	601
+O=S(=O)(c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCN)C	602
+c1cc(ccc1C(n2cncc2)CCN)C#N	602
+O=S(=O)(c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCN)C	603
+c1cc(ccc1)-c2sc(C)c(n2)CCN	603
+c1cc(ccc1C(n2cncc2)CCN)C#N	603
+Cc1ccccc1-c2c(ccc3c2OC(CN)C3)F	604
+c1ccccc1COC(=O)NC(CN)COC	605
+c1ccccc1COC(=O)NC(CN)COC	606
+c1c(C)nc(CCN)cc1	607
+c1cc(ccc1CCCN)CCCCC	607
+CC(C)(C)OC(=O)NC(CCC(OC)=O)COS(=O)(=O)c1ccc(cc1)C	608
+CC(C)(C)OC(=O)NC(COS(=O)(=O)c1ccc(cc1)C)Cc2ccccc2	608
+C1OC(CCC1)OCC2Oc3c(cc(cc3CC2)F)[N+]([O-])=O	609
+CCOC(Cc1ccco1)=O	610
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(cc(c3)Br)F)=O	611
+c1cc(ccc1Br)-c2nc(c(C)o2)CCOCc3ccccc3	611
+C(CCCOCCCOCCCCCCCCCCCCCCCCCC)O	612
+c1cc(ccc1)C(CC=C)(COC)C	613
+C1CCC(C1)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	614
+CC(C)(C)OCCCON	615
+O=S(=O)(C)OCCCC1=C(c2ccc(C)nc2N(CC)C1=O)c3cccc(c3)Cl	616
+O=S(=O)(C)OCCCC1=C(c2ccc(C)nc2N(CC)C1=O)c3cccc(c3)Cl	617
+O=S(=O)(C)OCCC(C)(C)CC1OCCO1	618
+O1CCOC12CCC(CC2)(CC)COS(=O)(=O)c3ccc(cc3)C	619
+CC(C)(C)[Si](C)(C)OCC1C(CCN1C(=O)OC(C)(C)C)O	620
+CC(C)(C)[Si](C)(C)OCC(C)(C)c1cc(N)n(-c2ccccc2)n1	621
+CC(C)(C)[Si](C)(C)OCCC(O)C1=CC(N(C=C1)C2=CC(C)(C)Oc3c2cc(C#N)cc3)=O	621
+CC(C)(C)[Si](C)(C)OCC(C)(C)CCC#N	622
+CC(C)(C)[Si](C)(C)OCCc1cc([N+](=O)[O-])cc(F)c1N(Cc2ccccc2)C	623
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)CCOc3c4c(cccc4)c(C=O)cc3)C	624
+CC(C)(C)OC(N1CC(C1)CCOc2cccc(Oc3ccc(cc3)Cl)c2)=O	625
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)CCOc3c4c(cccc4)c(C=O)cc3)C	625
+c1ccccc1OCC(n2c3cc(F)c(cc3nc2-c4ccc(cc4)Cl)F)C5CCCCC5	626
+c1cc(-c2oc(-n3c(ncc3)C)nc2CCCCOc4c(C)cccc4)c5c(cccc5)c1F	627
+C(C)N(CC)CCOc1c2c3c(c(ccc3)C)n(Cc4ccc(cc4)F)c2ccc1	628
+C(C)N(CC)CCOc1c2c3c(c(ccc3)C)n(Cc4ccc(cc4)F)c2ccc1	629
+C1CC(CCN1c2nc(no2)C(C)C)COc3ccc(nc3)-c4c(F)cc(cc4)SC	630
+c1cc(c(c(F)c1OCCOC)C#N)I	631
+c1cc(OCCBr)cc([N+]([O-])=O)c1OCC(OC)=O	632
+CC(C)(COC)C1Cc2c(C3=CC(C(=CN13)C(OCC)=O)=O)cc(OC)c(OCCOCC)c2	633
+CCN(CC)CCOc1c(Cl)cc(Cl)c(c1)-c2nc(N)nc3sc(cc23)C(OCC)=O	633
+CN(C)CCOc1ccc(cc1)C(Cc2ccc(cc2)Cl)=O	634
+C(CCCCC)Oc1cc2c(cc1)c(-c3cnccc3)cs2	635
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(OCC)cc3)C1=O)N(c4ccc5nc(oc5c4)C)C	635
+c1c2n(CC)cc(c2ccc1OCC)C#N	635
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)OCCC	635
+c1cc(ccc1OCCCCCC)S(=O)(=O)N(CC(C)C)CC(=O)OCC	635
+FC(F)(F)c1cc(-c2cc3n(nnc3c(C#N)n2)C)ccc1OCC4CCN(CC4)c5cc(ccn5)C	636
+c1cccc2nc(-c3c(OCCOCCOCCOC)cc([N+](=O)[O-])cc3)sc12	637
+CC(C)(C)OC(=O)NC(COc1c(cc(N)cc1)-c2n(C)ncc2)C	638
+FC(F)(F)c1cc(-c2cc3n(nnc3c(C#N)n2)C)ccc1OCC4CCN(CC4)c5cc(ccn5)C	638
+O=C1c2c(cccc2)C(=O)N1C(COc3c4c(cncc4)ccc3)C	638
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(Br)c2)O	638
+C1C(CC1)N2CCc3cc(ccc3CC2)OCCCC(=O)OCC	639
+C1CCC(C1)c2c(OCCCC(=O)OC)ccc(-c3c4c(c(Br)c5ccccc35)sc(C)c4C)c2	640
+FC(F)(F)COc1c(CC(OC)=O)ccc(c1)OCC2OC2	641
+CC(C)Oc1cc(C(=O)Nc2ncc(C(=O)OC)cc2)cc(OCC(C)C)c1	642
+CC(C)(C)OC(=O)NCCOc1ccc2c(c1)C(C(N3CCCC3)CC2)Cc4cc(c(cc4)Cl)Cl	643
+c1cc(ccc1N2CCN(CC2)c3ccncc3)OCCCC(OCC)=O	643
+c1(cccc(OCC)c1Br)C(=O)C	644
+c1cc(ccc1OCCCCc2cc(OC(=O)C)ccc2)CCN3C(OC(c4ccc5OC(C)(C)OCc5c4)C3)=O	645
+c1cc(ccn1)OCC(C2CCCCC2)n3c4c(nc3-c5ccc(cc5)Cl)cc(c(c4)F)F	645
+FC(F)(F)c1ccc(cc1)-c2nc(c(o2)C)CCO	646
+O=S(=O)(C)c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCO	647
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(SCCCO)cc3Oc4ccccc4)sc2	648
+C1CCN(C(=O)CCCO)c2cccc(Br)c12	648
+C1CN(CCO1)Cc2[nH]c3c4c(C5CC(CO)CN(C#N)C5Cc24)ccc3	648
+CC(C)(C)OC(=O)N1CC(CO)C(CC1)c2ccc(cc2)Cl	648
+CC(C)(C)[Si](C)(C)OC1CCN(C1CO)C(=O)Nc2c(C)c(Cl)c(C#N)cc2	648
+CC(C)=CCCCCCO	648
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)-c3cnn(C4(CC(C4)CO)CC#N)c3	648
+c1cc(ccc1)-c2oc(c(n2)CCO)C	648
+c1ccccc1CC(=O)NC2C(N(Cc3ccc(cc3OC)OC)C2=O)CO	648
+C(CCCO)n1c2c3c(cccc3)ncc2nc1CCC	649
+C1CC1OC2CC(N(C2)C(=O)OCc3ccccc3)CO	650
+CC(C)(C)OC(=O)N1CC(CC(CO)C1)N(C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C)C	650
+CC(C)(C)[Si](C)(C)OC1CC(N(C(=O)OCc2ccc(cc2)OC)C1)CO	650
+c1cc(ccc1)C(N2C(CC(CC(C)CO)C2)=O)C	650
+CC(C)(C)OC(=O)N(C(CCO)c1ccc(cc1)OCc2ccccc2)C	651
+c1[nH]c2c(c1CCCO)c(C)c(cc2)[N+]([O-])=O	651
+C(C)N(CC)C(c1ccc(cc1)C(CCO)c2cccc(OC)c2)=O	652
+C1C(CCC(=C1)CCCCC)CO	652
+CC(C)(C)c1cc(n(-c2ccc(cc2)CCO)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	652
+COc1ccc(CCO)c([N+]([O-])=O)c1	652
+Clc1cccc(c1)C2=C(C(N(c3nc(C)ccc23)CC)=O)CCCO	652
+O=S(=O)(c1cccc(OC)c1)NCCCO	652
+c1cc(ccc1)CN(C2C(CO)CN(CC2)CCc3ccc(cc3)F)C	652
+c1ccccc1OCCCCC(CO)C	652
+C1C2CCCC(CC1C(OC)=O)C2N3C(=O)C(C)(C)C(C3)CO	653
+c1(C(C(N)CO)C)[nH]cnc1	654
+CC(C)(C)OC(=O)N1CC(CO)CC(C1)N2c3cccc(Cl)c3-c4noc(c4C2=O)C	655
+C1CN(CCO1)c2c(c(c(C(OCC)=O)s2)C(c3cc(c(Cl)cc3)Cl)CCO)C#N	656
+CC(C)(C)OC(N(c1ccc(I)cc1F)C=2N(C)C(=O)C=CC=2NS(=O)(=O)C3(CC3)CCO)=O	656
+CC(C)c1c(cc2OCOc2c1)CCO	657
+c1cc(ccc1Br)-c2nc(c(o2)C)CCO	658
+CC(C)(C)OC(N1CC(C1)COS(=O)(=O)C)=O	659
+O=S(=O)(C)OCC(CCCCC)c1c2OCOc2ccc1	659
+O=S(=O)(OCC(C)(C)n1ncc([N+]([O-])=O)c1)C	660
+CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O	661
+CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O	662
+O=S(=O)(C)OCCCC1Cc2c(C(=O)N1)[nH]c3ccc(OC)cc23	663
+c1ccccc1COC(=O)NC(COS(=O)(=O)C)COC	663
+O=S(=O)(C)c1cc(C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CCOS(=O)(=O)C)ccn1	664
+c1c(C=2C(NC(=O)C=2c3cn(C)c4ccccc34)=O)c5c(cccc5)n1CCCS(=O)C	665
+c1ccccc1Oc2ccc(cc2)CCCC	666
+C(CC)CCCCCCc1c(c(ccc1)F)F	667
+CC(C)(C)OC(N1CCC1COc2cnc(Cl)c(c2)CC)=O	668
+CCCCCCCCCCCCc1sccc1	669
+C1CC2(CCN1Cc3ccccc3)Cc4c(C2)ccc(OC)c4	670
+CC(C)(C)OC(=O)NC1CC(CC(c2c(cncc2)NC(=O)c3nc(-c4c(cc(cc4F)CC)F)c(F)cc3)C1)C	671
+C1N(C)CCCC1Cn2cc(-c3cc(C#N)ccn3)nc2	672
+C1N(CC=C(COc2ccccc2I)C1)C	673
+CN(C)C1CCC(c2cc(cc(F)c2)Br)=CC1	674
+O1CCOC12CCC(c3cc(F)c(F)cc3F)=CC2	674
+c1cc(C=2CCC(CC=2)C=C)c(c(F)c1OCC)F	674
+C1C(c2cccc(c2F)F)=CCC(CCCCC)C1	675
+C1CC1CN2CCN(CC2)c3c(C=4CC(C)(C)CC(C)(C)C=4)cccc3	676
+c1cc(ccc1)CC(O)C=CC2N(CCCCCl)C(CC2)=O	677
+c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2	677
+CC(C)(C)[Si](C)(C)OC(CCCC(C=CC1C(OC2CCCCO2)CC(Cl)C1CCCc3ccc(C(OC)=O)s3)O)C	678
+c1cc(ccc1)CC(O)C=CC2N(CCCCCl)C(CC2)=O	678
+c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2	678
+c1cc(ccc1)CC(=O)C=CC2CCC(N2CCCCCl)=O	679
+c1cc(ccc1)CC(=O)C=CC2N(CCCCOCC(=O)OC)C(CCC2)=O	679
+C(CCCCCC(OC)=O)CCCCCCCCC=CC(CC)C	680
+O(C)c1c(cc(C(=O)OC)cc1OC)CCC=CCC	680
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F	681
+c1cc(ccc1C(=O)OC)CCC(CCC2(CC2)CC(OCC)=O)C=Cc3c(O)cccc3	681
+c1ccccc1COc2cc3C=CC(C)(C)Oc3cc2	682
+c1ccccc1COc2cc3C=CCc3cc2	682
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F	683
+c1cc(ccc1C(=O)OC)CCC(CCC2(CC2)CC(OCC)=O)C=Cc3c(O)cccc3	683
+CC(C)(C)OC(=O)N1CCC(C1)C=C	684
+CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C	685
+c1ccccc1COCC(OCC=NO)CC=C	686
+CC(C)(C)OC(NC(Cc1ccccc1)(C)C=NO)=O	687
+CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C	687
+FC(F)(F)C(C=Nc1cc(cc2c1cnc(C)n2)F)(CC(c3cccc(c3OC)F)CCC)O	688
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=O)F	689
+CC12C3CCC4(C(CCC4C=O)C3CCC1CC(C)(O)CC2)C	689
+c1cc(ccc1C(=O)OC)CCC(C=O)CCC2(CC2)CC(OCC)=O	689
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1	690
+CC(C)(C)OC(NC(CCCC)C=O)=O	691
+CC(C)(c1c2c(ccc1)CCO2)CC=O	691
+c1cc(ccc1)CC(C=O)NC(OCC)=O	691
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)C=O	692
+CC(C)(C)OC(NC(C=O)C(C)C)=O	692
+CC(C)(COc1ccc(cc1)OC)C=O	692
+COc1c(cc(F)c(c1)CC=O)C#N	692
+c1c(OC)c(c(cc1CC=O)OC)OCc2ccccc2	692
+C1CC(CCN1OC)CC=O	693
+CC(C)(C)OC(=O)CC1CC(C(N(C(CC)C=O)C1=O)c2ccc(cc2)Cl)c3cc(Cl)ccc3	693
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CCCCC2)CC=O	693
+CC(C)(C)OC(NC(C=O)CC(C(C)C)Cc1cc2c(cccc2OCCOC)cc1)=O	693
+c1(C(C=O)C)ncccc1Cl	693
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCC=O)c1	693
+c1cc(ccc1F)C(C)(C)CCC=O	693
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1	694
+C1OC(CCC1)OCC(C)C=O	695
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)C=O)=O)cnc12	696
+CC(C)(C)C(=O)Nc1nc(ccc1)-c2c(OC)cc(CC=O)c(c2)OC	697
+CC(C)(C)OC(=O)N1CC(CC1C)c2ccccc2	698
+CC(C)S(=O)(=O)NC1C(O)(c2ccc(cc2)F)CCC1	699
+c1cc(ccc1)COC(N2CC(CC)C(C2)N=[N+]=[N-])=O	700
+c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O	701
+c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O	702
+CC1(C)Cc2c(OC)cccc2C1N3CCCCC3	703
+C1CC2(CCC1OC)Cc3cc(c(Br)cc3C2=N)F	704
+CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(cc1)Oc2cc3c(COC3)cc2)C	705
+c1cc(ccc1OCC(=O)Nc2c(C(=O)OC)cc(cc2)Br)C#N	706
+FC(F)(F)Oc1ccc(cc1)CN2C(CC(C)C2=O)c3ccccc3-c4ccccc4	707
+CC1CN(CC(C)O1)C2CCN(CC2)CC34c5c(cccc5)C(C3)c6c4cc(cc6)Cl	708
+O=S(=O)(c1ccc(cc1)N2C(C=CC(c3cc4CCN(CCc4cc3)C5CCC5)=N2)=O)C	709
+C1C(CC1)N2CCc3c(cc(Oc4c(cc(cc4)I)F)cc3)CC2	710
+C1CCC(C1)N2CCc3c(CC2)cc(cc3)Oc4ncc(C(NC)=O)cc4	711
+c1cc(ccc1-n2nc3CCN(CCc3c2)C4CCC4)NS(=O)(=O)C	711
+CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4	712
+CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4	713
+C1CC(CCN1C(C)=O)C(=O)Nc2cc(ncn2)-c3ccccc3OCC	714
+C1CC(CCN1C(C)=O)COc2c3c(cccc3)c(Cl)cc2C(NC(C)(C(=O)OCC)CC)=O	714
+c1cc(ccc1CC(C)(C)C(N2CCCC(CNC(=O)Nc3cc(-c4n(nnn4)C)ccc3)C2)=O)F	715
+c1cc(ccc1C2(CCC2)C(N3CC(CO)CCCC3)=O)Cl	716
+C1CN(CCN1C)C(c2cccc(c2)Br)c3ccc(cc3)Cl	717
+CC(C)(C)OC(N1CCN(CC1)C(NO)=N)=O	718
+FC(F)(F)C(=O)N(C(C)c1ccccc1)C2CCC3(OCCO3)CC2	719
+C1CC(CCN1C)N(C(=O)Cc2ccc(OC)c(O)c2)Cc3ccc(cc3)C	720
+C1CC2(CCC(CC2)N(C)c3nc(ncc3C)Nc4cn(C)nc4)CCN1C(=O)CC#N	721
+C1CN(CCC1C)C(Cc2ccc(cc2Cl)[N+](=O)[O-])=O	722
+CC(C)(C)OC(NC(Cc1ccc(c(F)c1)Cl)C(N2CCN(CC2)c3c4c(ncn3)CSC4CC)=O)=O	723
+c1cc(ccc1F)-c2nc(n(CC(=O)N3CCN(CC3)c4cc(OC)ccn4)n2)-c5ccc(cc5)F	723
+C1C(CN1C(=O)CCOCCc2ccc3c(ccs3)c2)O	724
+FC(F)(F)c1ccnc(COCC(=O)N2CC(NC(OC(C)(C)C)=O)CC2)c1	724
+c1cc(ccc1OCC(=O)N2CCCC(C(OCC)=O)C2)-c3ccc(cc3)C#N	724
+C1CC(CCN1C(Cn2nc(cc2Cl)Cl)=O)c3nc(C(N(C4CCCc5ccccc45)C)=O)cs3	725
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)CC(=O)OCC)=O)c4c(cccc4)Br	725
+c1ccccc1COC(=O)C2OCCN(C2)C(CCl)=O	726
+C1CN(CCC1COc2cc3ncnc(c3cc2OC)Nc4c5c(ncc4Cl)OCO5)C(CN(C)C)=O	727
+CC(C)(C)C(C)C(=O)N1CCC(CC1)c2c3c(ncc(NC(=O)c4cccc(C#N)c4)c3C)n(C)c2	727
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2c(N(S(=O)(=O)C)C)cccc2)Cc3ccc(cc3)Cl)=O	727
+c1cc(ccc1C(C)C)CC(N2CCN(CC2)c3c(c(ncn3)N)C=NOCC)=O	727
+c1cc(ccc1C(C)C)NC(C2CCN(CC2)C(CCC3CC3)=O)=O	727
+C1CC(CCC1C(=O)N2CCNCC2)CN3C(N(c4ccccc4C3=O)C)=O	728
+C1C(CC1)(C(=O)N2CCC(Nc3cc(c4cc(OC)ccc4n3)C)C2)c5ccc(cc5)Cl	729
+C1CC(CCN1C(=O)C2CCN(CC2)C(=O)C)N(CCC)C3Cc4c(CC3)ccc(OC)c4	729
+C1CC1(C#N)C(=O)N2CCC(C)C(N(c3c4c([nH]cc4)ncn3)C)C2	729
+c1cc(ccc1Cl)C2CN(CCC2C(Nc3ncc(cc3)C#N)C)C(C4CCN(CC4)c5ccc(cn5)C#N)=O	729
+C1CC(CCC1C(=O)N2CCC(CC2)N(C)C)Nc3nc(ccn3)-n4ccc5c4cccc5OCCCS(=O)(=O)C	730
+c1cc(ccc1N2CCN(CC2)C(C3CC34CCN(CC4)C5CCOCC5)=O)OC	730
+CC(C)(C)OC(N(Cc1c(F)cc(cc1)F)C2CN(Cc3ccccc3)C(C(=O)N4CCN(CC4)c5ccc(cc5)C(C)=O)C2)=O	731
+CC(C)(C)C(=O)N(C)c1ccc(cc1)C#N	732
+CC1(C)CN(c2cc(Cc3ccc(cc3)F)c(cc12)C#N)C(CCl)=O	733
+c1ccccc1-c2ccc(cc2)NC(=O)CC(=O)N3CCC(CC3)Nc4c(cccc4)C	734
+C1CN(CCN1C)C(=O)CCc2cccc(c2)O	735
+FC(F)(F)Oc1ccc(C2CC(CN(C(=O)N3CC(C3)O)C2)c4nc(OCC)no4)cc1F	736
+C1CN(CCC1=Cc2cc(Oc3ccc(cn3)OC(C)C)ccc2)C(=O)Nc4nnccc4	737
+FC(F)(F)c1ccc(cc1)CNC(=O)N2CC(c3cc(ccc3)OC(C)(C)C(OCc4ccccc4)=O)CCC2	738
+C1CN(CCC1=Cc2cc(Oc3ccc(cn3)OC(C)C)ccc2)C(=O)Nc4nnccc4	739
+C(N1c2c(ccc(c2)-c3nc(cs3)C(=O)OCC)CC1)(Nc4sc5c(cccc5)n4)=O	740
+C1CC(CCN1C(=O)Nc2ccccc2)(O)Cn3c4c(nc3COCC)cnc5ccccc45	741
+C1CN(CCC1Nc2ncc(C(=O)OC)cc2)C(Nc3ccccc3)=O	742
+C1CN(CCN1C)C(=O)Nc2cccc3nc(ccc23)NC4c5c(CC4)cccc5	743
+n1cc(cnc1NCC2CCN(CC2)C(=O)OCc3ccccc3)-c4ccc(cc4)S(=O)(=O)C	744
+C1CN(CCC1(c2c(C)cccc2)C#N)C(OCC)=O	745
+C[Si](C)(C)CCOC(N1CC(C(CC1)c2ccc(cc2)F)OCc3cc4c(cccc4)c(OCOCC[Si](C)(C)C)c3)=O	745
+C1CN(CCC1n2c3ncnc(Oc4cccnc4C)c3cn2)C(=O)OC5CCCCC5	746
+C1CN(CCN1C(=O)OC)C(C#Cc2cccc(c2)Cl)CC	747
+c1cc(ccc1)COC(=O)N2CC3C(=O)CCC3C2	748
+c1cc(ccc1Br)OC(N2CCc3c(O)nc(nc3C2)C)=O	748
+CC(C)(C)OC(=O)NCCN(C1CCC(CC1)(O)CC(OCc2ccccc2)=O)C(OC(C)(C)C)=O	749
+CC(C)(C)OC(=O)N(C1CC=C(CC1)c2c3c([nH]c2)ccc([N+](=O)[O-])c3)CC	750
+CC(C)(C)OC(=O)N(C1C(F)CN(C1)C(OCc2ccccc2)=O)C	751
+CC(C)(C)OC(=O)N(C1c2c(cc(cc2)C#N)OCC1)C	751
+CC(C)(C)OC(N1CCCC(N(C(=O)CC)c2ccccc2)C1)=O	752
+C1CN(CCN1C(=O)OC2CN(CC2)c3ncc(C(=O)N)cc3)C(C)C	753
+C1CN(CCN1C)C(=O)c2ccc3CN(c4c(cccc4)Cn23)C(c5ccc(cc5)C6CCCCC6)=O	754
+c1cc(ccc1S(=O)(=O)N(C)Cc2c(Cl)c(C(=O)N3CC(C(NCc4onc(C)n4)=O)Oc5ccccc35)sc2)Cl	755
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CC2)C(=O)c3ncn(-c4ccc(cc4)S(=O)(=O)C)c3	756
+FC(F)(F)c1cc(-c2occc2)cn3c(Cl)c(C(N4C(CN(C)CC4)c5ccccc5)=O)nc13	757
+C1CN(CCN1C(c2n[nH]c(-c3cnc(nc3)Oc4ccccc4)c2)=O)C	758
+C1CC1c2cccc(n2)C(N3CCN(C(OCc4ccccc4)=O)C(C)(C)C3)=O	759
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)C(=O)c3ccccc3	760
+C1CN(CCN1C(CNC(=O)c2ccc(cc2)Oc3ccccc3)=O)C(c4ccc(cc4Cl)Cl)=O	761
+c1cc(ccc1Nc2nc3-n4c(N(C(=O)c3cn2)c5c(cccc5Cl)Cl)ncc4)C(=O)N6CCC(CC6)N(C)C	762
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(C(N5CCC(OC)C5)=O)ccc4c(S(C)=O)c3	762
+CC(C)(C)OC(=O)N1C2(CCN(CC2)C(=O)c3ccc(cc3)-c4cn5c(-c6ccc(cc6)C#N)cnc5cc4)CCCC1	763
+CC(C)(C)OC(N1CCN(CC1)C(c2cc(nc3c2c(nn3C4CCCCO4)I)Cl)=O)=O	763
+CC(C)(C)OC(NC1C2C1CN(C2)C(c3ccc(cc3)NC(c4ccc(cc4)F)=O)=O)=O	763
+c1cc(ccc1NC(C2CN(CC(C2)N=[N+]=[N-])C(=O)c3cc(-c4occc4)ccc3)=O)Cl	764
+c1ccccc1C(=O)N2CCCC(NC(C(NC(c3cc4c(cccc4)o3)=O)CC(C)C)=O)C(C2)O	765
+C1CN(CCN1C)C(=O)c2ccc3CN(c4c(cccc4)Cn23)C(c5ccc(cc5)C6CCCCC6)=O	766
+CC(C)(C)OC(CC(c1onc(n1)C(=O)N2CC(C2)N(C)C)CCCC3CCCCC3)=O	767
+c1(C)cccc(C)c1N(S(=O)(=O)C)CC(N(CC)CC)C	768
+CN(C)C(Cc1c(Sc2c[nH]c3ccccc23)cccc1)=O	769
+c12n(C)c(CN(C(=O)C=Cc3ccc(nc3)N)C)cc1ccs2	770
+C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O	771
+CC(C)(C)OC(NC1Cc2c(CC1)ccc(OCCCC(=O)N(C)C)c2)=O	771
+CC(C)(Oc1ccc2c(c(C(=O)OCc3ccccc3)c(C)[nH]2)c1)C(N(CC)CC)=O	771
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(=O)N(Cc3nc4CCOCc4c(O)n3)Cc5sccc5	771
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(N(CC3CCCO3)Cc4nc(O)c5c(n4)CCOC5)=O	771
+C1(C(CC)=CN(C2CC(O)C(CN(C)C(Cc3ccccc3Br)=O)O2)C(N1)=O)=O	772
+c1cc(ccc1CN(CC)C(=O)COc2ccc(cc2)CCSc3c(cccc3)C(OC)=O)Cl	773
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(C)CCOC	774
+C1CN(CCC1N(C(Nc2cc(ccn2)Oc3cc(c(NC(C4(CC4)C(Nc5ccccc5)=O)=O)cc3)F)=O)C)CC	775
+COC(OC)CN(C)C(=O)Nc1sc(C(C)Oc2ccc(Cl)cc2Cl)nn1	776
+COC(OC)CN(C)C(=O)Nc1sc(C(C)Oc2ccc(Cl)cc2Cl)nn1	777
+CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C	778
+CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C	779
+CC(C)(C)OC(N(Cc1ncccc1)C)=O	780
+C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3	781
+C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3	782
+CC(C)(C)OC(Nc1nc(C(N(C)C)=O)cs1)=O	783
+COc1nnc(-n2nc(cc2-c3ccc(cn3)C#N)C(=O)N(C)CC)cc1	784
+c1cc(ccc1)-n2nc(C(OC)=O)c(C(=O)N(C)C)n2	785
+c1cc(ccc1C#Cc2ccc(cc2)C(=O)N(Cc3cc4C(OC(C)(C)Oc4cc3)=O)CCCCCC)CCCC	786
+c1cc(ccc1C(N(C)Cc2cccc(c2)OC)=O)-c3cc(ccc3C)-c4nnc(C)o4	787
+CN(C)CC(=O)N1c2ccc([N+]([O-])=O)cc2CC1	788
+CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O	789
+CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O	790
+C1COCCN1c2cc(-c3c4c(ccc3)Sc5cc(NC(=O)CN(C)C)ccc5S4)nc(O)c2	791
+CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2	792
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C	793
+C(C)N(CC)CC1Oc2cc(S(=O)(=O)C)ccc2OC1	794
+C(C)N(CC)CCC1(C=CCC=C1)c2ccccc2	794
+CN(C)CCOc1ccc2n(cc(CC(N3C4CC4CC3C(=O)NCc5c(F)c(ccc5)Cl)=O)c2c1)C(=O)N	794
+FC(F)(F)CCS(=O)(=O)CCCN(CCCO)CCCCCCC1=C(CCCc2c1ccc(O)c2)c3ccccc3	794
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C	794
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCN(CC)CC	794
+c1ccccc1CCCCN(C)C	794
+CN(C)CC1(CCCCC1)c2cc(c(Cl)cc2)Cl	795
+CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2	795
+CC(C)(C)OC(N1CC(NC(=O)COCCN(C)C)CC1)=O	796
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3ccc(CN(C)C)nc3)=O	797
+C(C)N(CC)Cc1nc2cc(c(cc2c(c1C(C)=O)-c3cc(c(cc3)OC)OC)OC)OC	798
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2onc(n2)CN(CCOC)C)=O	799
+C1CC(CCC1N(C)Cc2cnccc2)N(c3c(c(cc(Cl)c3)C(=O)NCc4c(nn(C)c4C)OC)C)CC	800
+CN(C)Cc1cc(N)ccc1Br	801
+CN(C)Cc1cc(C#Cc2cc(cnc2)C#N)ccc1F	802
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4ccc(cc34)-c5c(CN(CC)CC)ccc(F)c5)N	802
+C1CN(CCN1c2oc(nn2)C3CCC4N(C(=O)N3C4)OCc5ccccc5)C	803
+c1cc(ccc1F)S(=O)(=O)N2CCN(CC2C(=O)OCC)C	803
+c1cc(ccn1)-c2cn(nc2-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F)C5CCN(CC5)C	804
+C1CC(CCN1C)COc2cc3c(c(Oc4ccc(c(F)c4)NC(NC5CC5)=O)ccn3)cc2C#N	805
+C1CN(CC1c2nnc3n2cc(cc3)F)C	805
+C1N(CCC1COC(=O)Nc2ccccc2Br)C	805
+C1C(C(CN(C(=O)OCC)C1)CC)=O	806
+c1cc(ccc1)CN(CCc2cccnc2Cl)CCO	807
+c1ccccc1S(=O)(=O)Nc2cccc(Sc3ccc4c(CN(C(N)=N4)CCC)c3)c2	808
+CC(C)(C)[Si](C)(C)OCCN(C(C)C)C(=O)c1nc(nc(c1OCc2ccccc2)O)Cc3c(Cl)cccc3Cl	809
+O=S(=O)(N(C)C(CO)C(CC)C)c1ccc(cc1)Cl	810
+C(O)CN(C)c1n(C)ncc1[N+](=O)[O-]	811
+CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(CN3CCC(CC3)CCC)=C(Cl)C=C(C2=O)Cl	812
+C1CN(CCN1CC(COc2c(OC)cccc2)O)CC(Nc3c(cccc3C)C)=O	813
+C1C(CC1)N(CCCc2c[nH]c3c2cc(C#N)cc3)C4COc5cccc(OC)c5C4	814
+C1CN(CCC12CC(c3c(ccc(C=CC(=O)OC)c3)O2)=O)CCc4c[nH]c5ccccc45	815
+c1cc(ccc1SCCCN2CCC(CC2)c3c4c(n(c3CC)-c5ccccc5)cc(F)cc4)F	815
+FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C	816
+n1c2cc3c(cc2oc1C)CCN(CC3)CCCl	816
+C1CN(CCN1CCN2CCOC2=O)C3c4ccccc4Sc5c(C3)cc(cc5)C	817
+C1CC(CCN1CCc2cc3N(C)C(=O)OCc3cc2OC)n4c5cc(C(=O)NC)ccc5cc4	818
+CC(C)(C)OC(=O)N1CCC(N(CCCCN(C2Cc3c(CC2)ccc(OC)c3)CCC)CC1)=O	819
+CC(C)(C)OC(=O)N1CCN(CC1)CCn2ncc3cc(ccc23)Oc4c(cc(cc4)F)C#N	819
+c1cc(ccc1)N2CCN(CC2)C(=O)NCCCCN(CCC)C3CCc4c(C3)scn4	820
+C1CN(CCC1O)CC23CC(c4ccc(cc24)Cl)c5ccccc35	821
+CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O	821
+CC(C)(CN1CCCC(CNC(=O)Nc2cc(-c3n(nnn3)C)ccc2)C1)Cc4ccc(cc4)F	821
+c1cc(ccc1Cl)C2(CCC2)CN3CC(CCCC3)CO	821
+c1ccccc1COC(=O)NC(c2ccccc2)CN3CC(CC3)OCCOCCOCCOCCOCCOC	821
+C1CN(CCN1C)CCCOc2ccc(cc2)NC=C3c4ccccc4NC3=O	822
+C(OCC)(=O)C1CCCN(CCC2COc3c(cccc3)O2)C1	823
+C1CC(CCN1CCC2OCCc3cc(ccc23)C(=O)N)c4c5cc(ccc5n(c4)C)OC	823
+C1CC(CCN1CCC2c3ccccc3OCC2)NC(C)=O	823
+C1CC(CCN1CCCCn2cnc3c2cccc3)N4c5c(cccc5)NC4=O	823
+C1CCN(C1)CCN(C)CCSC2CCC3(C)C(CCC4C5(CCC(c6ccoc6)C5(CCC34)C)O)C2	823
+C1CN(CCN1CCC2CC(Nc3ccccc23)=O)c4cccc5c4cc(cc5)OC	823
+C1CN(CCN1CCCCc2c3cc(ccc3[nH]c2)C#N)c4sc(C#N)c(n4)C	823
+CC(C)(C)OC(=O)NC1CCCCC1CN2CC(COC)CCC2	823
+CC(C)(C)OC(=O)NC1CCN(CC1)CC2CN3C=4N2C(=O)C=CC=4N=CC3=O	823
+CC(C)(C)OC(N1CC(c2ccccc2)C(CN3CCC4(CC3)CCN(Cc5ccc(cc5)Br)C4=O)C1)=O	823
+CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O	823
+c1cc(ccc1)C(c2ccccc2)CN3CC(O)(CC3)C	823
+c1cc(ccc1C(CCCCN2CCN(C(=O)OCC)C(C)C2)c3cnccc3)F	823
+c1cc(ccc1C2(CCC2)C(N3CC(CN4CCN(CC4)c5c(OC)cccc5)CCC3)=O)Cl	823
+c1ccccc1-n2c3c(c(ncn3)NCCCN4CCN(CC4)c5cccc(Cl)c5Cl)nc2-c6ccccc6	823
+c1cc(ccc1)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN3Cc4ccccc4C(C5CCC5)(C(O)C3)O	824
+c1nc(c2n1-c3c(c(ccc3)CCN4CCN(c5c6c(cc(c5)F)nc(C)cc6)CC4C)OC2)C(=O)OCC	824
+C1CN(CCN1CCC(C(C2CCCCC2)=O)c3ccccc3)c4ccccc4OC	825
+C1CN(CCN1CCOc2cc3c(cc2)OCC(N3)=O)c4c5c(nc(cc5)C)ccc4	826
+O(C(=O)C1CN(CCSc2c(ccc(F)c2)F)CCC1CCC(=O)c3c4c(ccc(OC)c4)ncc3F)C	826
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCO)=O)O	826
+c1cc(ccc1C#N)NC(C(=O)OCC)c2c(F)c(OC3CCN(CC3)CCO)cc(OCC)c2	826
+C1CN(CCN1CC2CCC2)c3c(cc(N4CC(C)OC(C)C4)cc3)C5CCC(C)(C)CC5	827
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(OCC)=O	828
+c1cc(ccn1)C(Cn2c3c(c4cc(ccc24)C)CN(CC(O)C)CC3)O	829
+C1CN(CCC1)CCCN2CCC(CC2)CCCN3C(=O)c4c(N=C3C)c(OC)ccc4	830
+C1CN(CCN1c2c3c(nc(cc3)C)ccc2)CCc4ccc5OCC(N(C)c5c4F)=O	830
+CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)c3cc(ccc3)NC(=O)CC	830
+O=S(=O)(c1ccc(cc1)NC(=O)CC2CCN(CC2)CCO)C	830
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)CC	831
+C1C(CCCN1CC)CCn2c(OC)nc3c2nc(nc3N)OC(CCC)C	832
+c1cc(ccc1CN(C)CCc2cnn(c2)-c3nccc(C#N)c3)F	833
+C1CN(CCN1CC2(CCOCC2)c3ccc(cc3)OCCCN4CCCC4)C	834
+FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C	834
+c1cc(ccc1)CN(C2C(CN(CCc3ccc(cc3)F)CC2)C(=O)OCC)C	834
+c1cc(ccc1CN(C)CCc2cnn(c2)-c3nccc(C#N)c3)F	834
+C1CC1CN2CCc3c(ccc(Oc4ncc(-c5onc(n5)C)cc4)c3)CC2	835
+C1CC(CCN1CCc2cc3N(C)C(=O)OCc3cc2OC)n4c5cc(C(=O)NC)ccc5cc4	836
+c12c(cccc1)C(=O)N(C2=O)CCCN(C(C)C)S(=O)(=O)c3ccccc3[N+]([O-])=O	837
+O=S(=O)(N(CCCBr)CC)c1ccccc1[N+](=O)[O-]	838
+C1N(C)c2c3N(C1)C4C(CN(C(=O)OCC)CC4)c3ccc2	839
+N1(c2ccc([N+]([O-])=O)cc2OCC1)C	840
+FC1(F)CC1C2c3c(cccc3)N(CCN)CC2	841
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCN(CC3)CC(COc4cc5cccnc5cc4)O)=O	842
+n1c2c(ccc(Nc3cc(C=4CCN(C)CC=4)ncn3)c2)ccc1	843
+c1c(C=CC(N(Cc2n(c3c(cccc3)c2)C)C)=O)cccn1	844
+c12n(C)c(CN(C(=O)C=Cc3ccc(nc3)N)C)cc1ccs2	845
+c1cc(ccc1Cl)CNC(C=2C(c3cc(CN(CC(c4cccn4C)O)C)sc3N(C=2)C)=O)=O	846
+CC(C)OC(=O)c1cccnc1N2CCC(N(CC)Cc3sc(c(C)c3)C)C2	847
+FC(F)(F)c1ccc(cc1)-c2nc(CN3CCN(CC3)Cc4ccc(c(OC)c4OC)OC)c(C)n2C	848
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CC(N(Cc2nc(ccc2)C)CC)=O)c3ccc(N)nc3	849
+CC(C)(C)OC(=O)n1nc(cc1)CN2CC(C)NC(C2)C	850
+n1cccnc1CN2CC(C2)n3c(-c4ccnc(n4)N)c(nc3)-c5ccc(cc5)F	851
+CC(C)(C)OC(N1CCN(Cc2c(ccc(OS(=O)(=O)C)c2)Cl)C(C1)=O)=O	852
+CC(C)(C)OC(N1CC(C(=O)N(CC(C)C)Cc2cc3c(OCCCO3)c(Cl)c2)CC1)=O	853
+CC(C)(C)OC(=O)N(C)Cc1ccc(c(c1)F)CO	854
+CC(C)(C)OC(N(Cc1cc2c(OCO2)cc1)CCCBr)=O	855
+CC(C)(C)OC(=O)N(Cc1cc(ccc1I)Br)CC	856
+CC(C)(C)OC(N(Cc1cc(ccc1Oc2cc(Cl)c(cc2)Cl)Br)C)=O	856
+c1cc(ccc1F)COC(N(Cc2c(-c3cc(ccc3OC)CC(OC)=O)cc(cc2)OC)CC)=O	857
+c1cc(ccc1C#Cc2ccc(cc2)C(=O)N(Cc3cc4C(OC(C)(C)Oc4cc3)=O)CCCCCC)CCCC	858
+CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)CCCCN(Cc1ccccc1)CC(O)CCl	859
+FC(F)(F)c1ccc(cc1)CN2CCC3(CC2)CN(CC3)C(c4ccc(cc4)-c5oc6c(C(C)C)cc(C#N)cc6n5)=O	860
+O=S(=O)(N1C(C(OCC)=O)CN(CC1)Cc2ccc(cc2)Br)c3ccc(cc3)OCC#CC	860
+c1cc(ccc1CN2CC(OCC2)C(C)C)Br	860
+c1cc(ccc1NC(NCC2OCCN(Cc3cccc4c3cccc4)C2)=O)Cl	861
+C1CN(CCC1CNc2nc3c(C(=O)OC)cccc3[nH]2)Cc4cc(Cl)cc(c4O)Cl	862
+c12c(CN(Cc3cccc4c3OCO4)C1)c(Nc5cc6c(nc5)cccc6)ncn2	862
+c1cc(ccc1)CN2CCCC(CN3CCC(CC3)C(=O)Nc4ccc(c(Cl)c4)Cl)C2	862
+c1cc(ccc1Oc2cccc(CN3CCN(CC3)C(=O)Nc4noc5c4cccc5)c2)Cl	862
+c1ccn(c1)-c2c(CN3CCC(CC3)Nc4nc(NCCCN(C)C)nc5ccccc45)cccc2	862
+FC(F)(F)c1nnc(N(C)C2CCN(CC2)Cc3ccc(cc3)F)s1	863
+FC(F)(F)CN1CCN(Cc2cccc(F)c2F)CC(NC(=O)OC(C)(C)C)C1=O	864
+CC(C)(C)OC(N(C1CN(CC1)Cc2ccc(cc2)OC)c3ncc(C=CC(=O)OCC)cc3)=O	865
+FC(F)(F)c1ccc(cc1)CN2CCC(CC2)Nc3ccc(C#N)nn3	865
+FC(F)(F)c1cc(CN2CCN(CC2)C)cc([N+](=O)[O-])c1	866
+c1cc(ccc1-c2ccc(cc2)NC(C=Cc3ccc(cc3)CN4CCC(CC4)C)=O)Cl	867
+CC(C)(C)OC(Nc1cc(C)cc(CN2CCN(CC2)C(C)=O)c1)=O	868
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(-c4ccc(cc4)CN5CC(C5)C(O)=O)n3	868
+c1cc(ccc1)-c2ccccc2CN3CCN(CC3)c4cc(ccc4)C	869
+C1CN(CCN1Cc2c(ccc([N+](=O)[O-])c2)F)C	870
+CC(C)(C)OC(=O)N1CCN(CC1C)Cc2c(cc([N+](=O)[O-])cc2)Cl	870
+FC(F)(F)c1n2nc(N3CCN(CC3)Cc4cc(Cl)ccc4)ccc2nn1	871
+O=S(=O)(N(Cc1ccc(cc1)Cl)CC(C)C)c2ccc(cc2)OC	872
+CC(C)(C)OC(COc1ccc(cc1Br)CN(S(=O)(=O)c2cc(Cl)c(cc2)F)C)=O	873
+FC(F)(F)c1ccc(Oc2cccc(CC(O)=O)c2)c(c1)CN(S(=O)(=O)c3ccc(cc3)Cl)C	873
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)N(Cc3cc(C)c(OCC(=O)OCC)cc3)CCCC	874
+C1COCCN1c2c3c(cc(CN4CCC(CC4)C(=O)NC)s3)nc(Cl)n2	875
+C1COCCN1c2c3c(cc(s3)CN4CCN(CC4)C)nc(Cl)n2	875
+FC(F)(F)S(=O)(=O)N1CCN(CC1)Cc2cc3c(c(N4CCOCC4)nc(Cl)n3)s2	876
+CC(C)(C)OC(=O)N(C)Cc1cc([nH]c1)-c2ccccc2F	877
+CC(C)(C)OC(=O)N(Cc1cn(S(=O)(=O)c2cnccc2)c3c1ccc(C(OC)=O)c3)C	877
+c1cc(ccc1-n2cc(cc2)CN3CCC(CC3)NC(COc4cccc(Cl)c4)=O)Br	878
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cc3nc(-c4c(cccc4)[N+](=O)[O-])sc3nc2	879
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(c3s2)Oc4ccc([N+]([O-])=O)cc4F)cc1)CCOC	880
+C1CN(CCN1c2ncc(cc2)C(OCC)=O)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3	881
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc(cc2-c3ccc(cc3)Cl)F	882
+C1CC(CCN1Cc2cnccc2)n3ncc4c(nc(nc34)Cl)N5CC(C)OC(C)C5	883
+CCN(N)C(Nc1sc(C)nn1)=O	884
+Clc1cc(ccc1)NC(=O)N2Cc3c(CC2)[nH]nc3C(N(OC)CC)=O	885
+O=S(=O)(N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O)C	886
+C1CN(CCC1Oc2cc(C)c(c(C)c2)-c3cc(ccc3)COc4cc5OCC(CC(OC)=O)c5cc4)S(=O)(=O)C	887
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1-c4nnc(o4)NC5CCN(CC5)S(=O)(=O)C	887
+O=S(=O)(N1CCC(CC1)COc2c3ccccc3nc(c2)C)CCC4C(NC(N4)=O)=O	888
+C1CCCC1CC(C(NC2CCCN(S(=O)(=O)c3ccccn3)CC2O)=O)NC(=O)c4occc4	889
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(C(C)CN4CCN(CC4)S(=O)(=O)c5nn(cc5)C)nc3)ncnc12	889
+O=S(=O)(N1CC(CNC(C(CC(C)C)NC(c2cc3ccccc3s2)=O)=O)C(O)C1)c4ccc(cc4Cl)F	890
+FC(F)(F)Cc1ccc(cc1)N2C(=O)C3(CCN(CC3O)S(=O)(=O)c4c(Cl)cccc4)CC2	891
+c1cc(ccc1C(NCc2sc(cc2)S(=O)(=O)N3CCC(CC3)=O)=O)Cl	892
+c1cc(ccc1F)-n2c3C=C4C(Cc3cn2)(COCC)CN(CC4)S(=O)(=O)c5ccc(Cl)nc5	893
+c1cc(ccc1)C(c2ccc(cc2)N3CCC4CN(C)CC34)=O	894
+c1cc(ccc1-c2ccc(cc2)C#N)N3C4C(CN(C(OCc5ccccc5)=O)C4)CC3	895
+c1cc(ccc1N2CCC(CC2)C(=O)N(OC)C)Cl	896
+c1cc(ccc1C(C)C(NC2CC2)=O)C3CCN(CC3)c4ccc(cc4C#N)OCC5CC5	897
+CC(C)(C)OC(N1CCCC2C1CN(C2)c3c(cc4C(=O)C(=CN(C5C(F)C5)c4c3Cl)C(O)=O)F)=O	898
+O=C1c2cc(c(cc2N(C=C1C(O)=O)CC)N3CCNC(COCCCCCCCCCCCC)C3)F	898
+C1CCC(C1)n2c3c(c4cnc(Nc5nnc(cc5)N6CCC7(CC6)OCC(NC7)=O)nc24)ccnc3	899
+c1ccccc1-c2nnc(N3CC4CCC(C3)N4C)cc2	899
+C1CC(CCN1c2c(cc3C(C(=CN(c3n2)C4CC4)C(O)=O)=O)F)Nc5ccc(N6C(=O)OC(CNC(C)=O)C6)cc5F	900
+C1C(CN1c2ccc3c(cc(cc3)F)n2)c4c(-c5cc(c(cc5)C(NC)=O)F)nccn4	901
+FC(F)(F)c1c(CNC(=O)C2CCN(CC2)c3ncnc(Cl)n3)cccc1	902
+C1CC(CCN1c2ncccc2Br)Nc3ccc(cc3)F	903
+C1C(CN1c2nc(-c3cc(ncc3)Cl)cc4c2ccnc4)C(O)=O	904
+C1CN(CCN1)c2c3ccccc3c([N+]([O-])=O)cn2	904
+FC(F)(F)c1ccnc(N2C3C(C(O)(c4ccccc4)CC2)CCCC3)c1	905
+CC(C)(C)OC(N1CCN(CC1)c2ccccc2N(S(=O)(=O)C)C)=O	906
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccccc2N(S(=O)(=O)C)C	907
+C1CN(CCN1c2ccnc3c2cccc3OC)CCN(C4Cc5cc(ccc5CC4)O)CCC	908
+C1C(CN1c2ncc3ccc(Cl)cc3n2)c4c(nccn4)-c5cc(c(cc5)C(NC)=O)F	909
+c1nc(ncc1F)N2CCN3C(CCC(C3)Cn4ccc5c4ccc(F)c5)C2	910
+c1cc(ccc1)C(C(OC)=O)C2CCN(CC2)c3ncccn3	911
+C1CC(CCN1c2ncncc2)C(N3CCN(CC3)Cc4ccccc4)=O	912
+C1C2CN(CC2CN1c3cc(N(C)C)ncn3)C(=O)c4c(cc(OC)cc4)-n5nccn5	913
+C1CN(CCN1c2ncnc3c2C(C)CC3O)C(N(Cc4ccc(cc4)Cl)CCN(CC)CC)=O	914
+c1(c2OCOc2ccc1Cl)N(C)c3nc(Cl)ncc3	915
+C1CN(CCC1Oc2sc3cc(ccc3n2)Br)c4nnc(C)s4	916
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(cc(c(c2OC)N)Cl)F	917
+CC(C)N1c2cccc(c2NC1=O)F	918
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(Nc3c2cc(C4CC4)cc3F)=O	919
+CCN1C(Nc2ccccc12)=O	919
+N1(c2cc(C)ccc2NC1=O)C(CCC)CC(OCC)=O	919
+FC1(F)C(C2CCN3CCNCc4c3c2ccc4)C1	920
+FC(F)(C)COc1ncc(cc1C)CN2Cc3c(ccnc3Cl)C2=O	921
+c1(cc(CN2Cc3c(Cl)nccc3C2=O)cnc1-n4nccc4)C	921
+c12c(nc3ccc(cc3c1Cl)C#N)CN(C2=O)CC	922
+CC(C)(C)OC(=O)NCCN1C(=O)c2c(C1)cc(cc2)Br	923
+Clc1c([N+]([O-])=O)cc2CN(C(c2c1)=O)C	924
+c1([N+]([O-])=O)ccc2C(=O)N(Cc2c1)C	924
+c12CN(C(=O)c1cccc2[N+]([O-])=O)CCOC	924
+c1cc(ccc1OC)CN2C(c3c(cccc3C2)I)=O	924
+C1(=O)N(CC)NCN1c2sc(C)nn2	925
+C1(=O)N(CC)NCN1c2sc(C)nn2	926
+C1CC(CCC1)c2sc(nn2)N3C(=O)N(C)NC3	927
+CC(C)(C)OC(NC(c1ncc(F)cc1F)C)=O	928
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(C3(C(C)C)CC(CC3)NC4C(COCC4)C)=O	929
+C1CCCC1NCCNC2CCC(CC2)CC(=O)NC3Cc4c(c(C(O)=O)ccc4)OB3O	930
+c1ccccc1COC(NC2CCN(C3CCC(NC(C)C)CC3NC(C)=O)C2=O)=O	930
+C1CC(CCN1c2ccc(cc2)C(=O)O)NCC(O)c3cc(NS(=O)(=O)C)c(O)cc3	931
+c1cc(ccc1CCC(NCCc2cc(OC)cc(OC)c2)=O)F	932
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCNC(=O)C)OC)OC	933
+c1cc(ccc1C(C)CNC(C)=O)C#Cc2ccc(cc2)OCCC	934
+c1cc(ccc1Br)C(CC(NC)=O)c2ccc(cc2)Cl	935
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)(NCc4ccccc4)C(=O)NC(C)C	936
+c1cc(ccc1-c2c(C#N)c3c(n2CC)cc(cc3)OC)OCCNC(=O)C	937
+c1cc(ccc1F)Cc2cnc3c(c2)N(C(C(C(=O)NCCOCC)=C3O)=O)CCNC(C)=O	938
+Fc1cc(cc(F)c1C)CCC(NCCCc2cc(C)nn2CC)=O	939
+C1(c2noc(-c3cc(Cl)ccc3)c2)COCCN1C(=S)NC	940
+S(c1c(C(=O)NC)cc(cc1)C)c2csc3ccccc23	941
+c1cc(ccc1)COc2cc(c(Br)cc2C(=O)NCCCOC)OCc3ccccc3	942
+C(NCCCSc1ncco1)(NCC)=C[N+]([O-])=O	943
+FC(F)(F)C(=O)NCCc1c(c(ccc1)Br)CC	944
+C1CCCC1Oc2cc(c(F)cc2Cl)NC(=O)C=3CCCCC=3C(NCCOC)=O	945
+c12c(C(=O)N(C1=O)CCN3C(=O)C(C(NCCOCC)=O)=C(O)c4c3cc(cn4)Cc5ccc(cc5)F)cccc2	946
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3CCCC(c4ccccc34)NC(CN(C)C)=O	947
+FC(F)(F)c1ccc(c(Cl)n1)C=CC(NCc2cc(F)c(cc2)NS(=O)(=O)C)=O	948
+C1CC(CCC1NC(C2CC2)=O)Oc3ccc(cc3)C(OCC)=O	949
+c1cc(ccc1CC(=O)O)CC(=O)NCCCc2c(nc(N)nc2C)NCCCCC	950
+c1ccccc1C(C(NC(c2ccc(cc2)OCC(C)CCC)CN=[N+]=[N-])=O)C	950
+c1ccccc1CC(NC(=O)Cc2c3c(ccc(O)c3)[nH]c2)c4n(Cc5ccccc5OC)ccn4	950
+ClC1(Cl)C(C(NCC)=O)(C)C1	951
+C1(COCC(C)N1CCNC(C2CCCCN2c3nc4c(cccc4)o3)=O)C	952
+CC(C)(CO)NC(=O)C(Oc1ccc2c(cc(Br)cn2)c1)SC	952
+FC(F)(F)COc1cnc(C(C)NC(Cc2ccc(cc2)-c3c(C4CC4)nccn3)=O)cc1	952
+C1CN(CCO1)CC(C)(C)NC(=O)Cn2nc(-c3cn(nn3)Cc4ccc(cc4)OC)cc2Cc5ccc(cc5)F	953
+CC(C)CCNC(CN1C=CC=C(C1=O)NC(=O)OCc2ccccc2)=O	953
+CC(C)(C)NC(=O)C1(CCC1)c2cc3c(nc(nc3C(N4Cc5ccccc5C4)=O)N)cc2	954
+CC(C)(C)OC(N(CC(NCC)=O)CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F)=O	954
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(c3ccc(c(c3)F)CNS(=O)(=O)C)C	954
+N(C)C(CC1N(C(=O)c2cc3NC(=O)COc3cc2)c4ccc(cc4OC1)Br)=O	954
+O=S(=O)(Nc1ccc2COB(c2c1)O)c3ccc(cc3CC(=O)NCC)OC	954
+c1c(F)c(c(cc1)F)Cc2c(N(CC(=O)NCC)S(=O)(=O)c3cc(OC)c(OC)cc3)c(OC)ccc2	954
+c1cc(ccc1S(=O)(=O)Nc2ccccc2Oc3ccc(Cl)cc3Cl)C(NCC(NCCCCC(N)C(OC)=O)=O)=O	954
+CC(C)C(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	955
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3c4ccccc4C(NC(=O)CCl)CCC3	956
+c1ccccc1-c2ccc(cc2)C(NC(=O)CNC(NCCCNc3ccccn3)=O)CC#N	957
+c1cc(ccc1)COC(N2CC(C(CC)C2)Nc3c(cnn4c3cc(c4)-c5cnc(cc5)CNC(COC)=O)C(=O)N)=O	958
+CC(C)(C)OC(NC(C(NCc1nc(c2c(cccc2)n1)N(c3ccc(cc3)OC)C)=O)C)=O	959
+CC1(C)OC(=O)Nc2c1cc(-c3n(c(cc3)C#N)CC(NCCc4ccc(OC)c(OCC)c4)=O)cc2	960
+c1cc(ccc1)COC(=O)NC(CCCCCC(NC)=O)c2oc(cn2)-c3cc4c(cccc4)nc3OC	960
+FC(F)(F)c1c(Nc2ccc(cc2)CNC(=O)C3(CCOC3)NC(=O)c4cc(cnc4)N)ccc(OC)c1	961
+C(N(C)c1n[nH]c2ccc([N+]([O-])=O)cc12)C(NC)=O	962
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C	962
+C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O	963
+C1CC(CCC1O)Nc2nc3c(c(ccc3cn2)C)OCC(=O)NC	964
+CC(C)(C)OC(=O)N1CCC(C(O)C1)NC(=O)C2(CCCCC2)NC(=O)c3ccco3	964
+CC(C)(C)OC(NCC(=O)NC(C(=O)NC)Cc1ccccc1)=O	964
+c1cc(ccc1OC)Cc2nc(O)c(C(C)NC(C(CCCc3ccccc3)C(C)O)=O)nn2	964
+CC(C)(C)C1CCC(CC1)C(NC(CC)c2nnc(-c3cc(ccc3)[N+](=O)[O-])nc2O)=O	965
+COc1cc2c3c([nH]c2cc1)CC(C(=O)NC)C3	965
+C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O	966
+CC(C)(C)OC(=O)N1CCC(C(O)C1)NC(=O)C2(CCCCC2)NC(=O)c3ccco3	966
+C1CC2(CCN1C(NCC)=O)Oc3ccc(C=CC(=O)OC)cc3C(C2)=O	967
+c1cc(ccc1-n2c(nc3c2ncnc3NC4CCCN(C(NCC)=O)C4)-c5c(cccc5)Cl)Cl	968
+c1ccccc1COc2cc(-c3c4c(N)ncnc4n(C5CC(C5)CNC(NCCCC)=O)c3)ccc2	969
+CC1CN(CC(C)O1)CCNC(=O)Nc2nc3c(cc(cc3)SC#N)s2	970
+FC(F)(F)c1nc(c(cc1)CNC(Nc2cc3CCCc3nc2)=O)N4CCC(CC4)C	971
+c1cc(ccc1F)-c2c3c(ncnc3sc2)OCCCOc4cc(ccc4)NC(=O)NCC	972
+C1CN(CCN1c2nccc(NC(=O)NCCC)c2)CC	973
+c1(NC(NCCCCC)=O)cc2C(=O)N(Cc3ccc(c(c3)Cl)Cl)C=Nc2cc1	973
+c1(cc2c(ccc(c2)NC(NCC)=O)nc1O)C(=O)O	973
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)NC(=O)NC)C	973
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(=O)OC	974
+CC(C)(C)OC(=O)NC(C)c1ccc(C(F)(F)F)nc1	975
+CC(C)(C)OC(=O)NC(c1cccc(c1)[N+](=O)[O-])C	976
+CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O	976
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	977
+c1cc(ccc1)COC(=O)NC(c2ccccc2OC)CCC=C	977
+C1CCCCCN1CCN2CCC(CC2)NC(c3[nH]c4cccc(OCc5cocc5)c4c3)=O	978
+CC(C)(C)c1[nH]nc(c1)C(=O)NC2CCCN(c3nc(Nc4ccc(cc4)N(CC)CC)c(C(=O)N)cc3)C2	979
+CC(C)(C)NC(c1cc2c([nH]1)ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)=O	980
+Cc1cc(cc(C)c1O)CNC(c2sc(c3c2CC4C(C)(C)C34)C)=O	981
+FC(F)(F)c1ccc(cc1)-c2ncc(C(=O)NCc3cccc(c3)OC(C)(C)C(OCC)=O)c(C4CC4)n2	982
+O(c1ccn2c(c1)nc(C)c2C(=O)NC)C	983
+C1CC(CCO1)CC(C(Nc2sc(C(=O)NC)cn2)=O)c3ccc(cc3)S(=O)(=O)C	984
+C1CN(CCC1NC(=O)c2c(Cl)cc3c(NC(CS3)=O)n2)CCSc4cnc5c(cc(cc5)OC)c4	985
+C1CN(CCC1NC(=O)c2cc(-c3sccc3)on2)CCSc4nc5cc(ccc5nc4)OC	985
+CC(C)(C)C(NC(c1nn(c2C3CC3Cc12)-c4cc(Br)ccn4)=O)CO	986
+Fc1cc(c(C)cc1F)C(=O)Nc2[nH]nc(C(NCc3oc(nc3C(=O)OCC)C)=O)c2	987
+CC(C)(C)NC(=O)c1cnn2ccc(nc12)N3CCCC3c4cc(ccc4F)F	988
+[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12	989
+CC(C)C1C2C3C(C1CC2)CCCC3NC(=O)c4c(F)n(nc4C(F)F)C	990
+FC(F)(F)C(CC(C)(C)c1c(OC)ccc(F)c1)(CNC(=O)c2cnn(c2N)-c3ccc(cc3F)F)O	991
+FC(F)(F)c1cc(n(n1)-c2c(cccn2)Cl)C(Nc3c(C(=O)NC)cc4c(nsn4)c3Cl)=O	992
+C1CC(CCN1CC(c2ccc3c(COC3=O)c2C)O)(C)NC(c4ccc(-n5nnnc5)nc4)=O	993
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(cn3)C(=O)NC(CC)CO)F	993
+c1ccccc1CC(NC(=O)c2cccnc2-n3cc4ccccc4n3)C(O)C(=O)OCC	994
+[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12	995
+C1CN(CCN1c2ccc(C(NC)=O)cn2)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3	996
+C1CN(CCO1)Cc2ccn(-c3c(C(=O)NC(Cc4ccccc4)C(C(=O)N)O)cccn3)n2	996
+CC(C)(c1ccc(cc1)CNC(=O)c2c(Oc3ccc4nsnc4c3)nccc2)O	996
+FC(F)(F)c1n(C)c2cc(ccc2c1C(NC)=O)OC	996
+c1cc(ccc1)C(CC)NC(c2c3n(cc2)CCOC3)=O	996
+C1CN(CCC1CNc2[nH]c3cccc(C(=O)NC(C)C)c3n2)Cc4cc(Cl)cc(c4O)Cl	997
+Clc1ccc(c(F)c1)-c2c(F)cncc2C(=O)NC	997
+O=C(NC1c2c(cccn2)C(N=[N+]=[N-])C(c3c(c(ccc3)F)F)CC1)c4cnc5c(c4)CC6(c7cccnc7NC6=O)C5	997
+c1cc(ccc1-c2oc3cc(c(Br)cc3c2C(=O)NC)N(C)S(=O)(=O)c4ccccc4)F	998
+c1cc(ccc1F)-c2oc3c(c4c(OC(C)(C)C4)cc3)c2C(=O)NC	998
+FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(Oc3cc(cnc3N)C(NC)=O)C2)=O	999
+FC(F)(F)C1(c2c(N(C(=O)N1)Cc3ccc(cc3)OC)ccc(c2)Br)CNC(c4ccc(cc4)F)=O	1000
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(Cl)cc(cc2)Cl)=O)N3CCOCC3	1001
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(cc4C)C(NC)=O	1002
+c1c(ccc(Oc2cc(C(NC)=O)ccc2[N+]([O-])=O)c1F)F	1002
+c1cc(ccc1-c2[nH]c(-c3ccccn3)c(-c4ccc5c(c4)OCO5)n2)C(NC)=O	1002
+c1cc(ccc1C#CCc2ccc3C(C)(C)CCC(C)(C)c3c2)C(=O)NCC	1002
+c1cc(ccc1CCCCOCCCCBr)C(NCc2c(CC)nc3n(ncc3c2NC4CCN(CC4)C(=O)N)CC)=O	1002
+c1ccccc1C(c2ccc(cc2)C(=O)NCCCCCCCCCCC(O)=O)=O	1002
+CC(C)(C)OC(=O)COc1c(Cl)ccc(c1)C(NCC(O)CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3C)=O	1003
+CC(C)(C)OC(NC(c1c(c(c2c(n1)ccc(c2)F)C(NC(C)C)=O)-c3ccccc3)C)=O	1003
+CC(C)CC(Sc1ccc(cc1)Br)c2ccc(cc2)C(NCCC(=O)OC)=O	1003
+Cc1nc(C(N2CC3C(C2CNC(=O)c4c5C=CCOc5ccc4)C3)=O)c(s1)-c6cccc(c6)C	1003
+c1c(cc(cc1)OC)CCNC(c2cc(cc(c2)-c3ccccc3OC)-n4nnnc4)=O	1003
+c1cc(ccc1)COC(N2CCC(CC2)n3ccc4ccc(cc34)C(=O)NC)=O	1003
+c1cc(ccc1C)-c2cc(cc(-n3nnnc3C)c2)C(=O)NC(COC)C	1003
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(NCCCCCCC(OC)=O)=O	1003
+C1CC(CCC1(C)C)NC(c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)=O	1004
+CC(C)(C)OC(=O)N(C)C(CNC(=O)c1cccc(C(OCCNC(OC)=O)c2cc(Cl)ccc2)c1)CC3CCCOC3	1005
+CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12	1005
+c1cc(ccc1C)-c2cc(C(NC(c3cnc(cc3)OC)CO)=O)cc(C(=O)N(CC(C)C)C)c2	1005
+C1CC(CCN1C(=O)OCC)NC(=O)c2c(Oc3c(cc(Cl)cc3)Cl)cccc2	1006
+c12ccc(cc1n[nH]c2)C(NC)=O	1006
+CC(C)(C)OC(N1CC(CNC(=O)c2ccccc2)CC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C1)=O	1007
+CC(C)(C)OC(N1CCc2n(CCNC(=O)c3ccccc3)c4ccccc4c2CC1)=O	1007
+c1cc(ccc1CCCCOCCCCBr)C(NCc2c(CC)nc3n(ncc3c2NC4CCN(CC4)C(=O)N)CC)=O	1007
+FC(F)(F)C(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)(CNC(=O)c3c(cccc3F)Cl)O	1008
+CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCCNC(=O)c3cccc(F)c3)C4CCC4	1009
+C1CC1(c2ccc3c(cccn3)c2)c4nnc5ncc(-c6ccc(c(F)c6)C(NCC)=O)nn45	1010
+C1CC2CCN1CCN2c3ncc([N+](=O)[O-])c(C(=O)NCC(C)(C)CO)c3	1010
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	1010
+CC(C)(C)OC(=O)NCC(c1cc(cc(Br)c1)F)NC(c2c(F)cc(-c3c(ncc(C4CCOCC4)n3)N)cc2)=O	1010
+CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1	1010
+CC(C)(C)OC(N(c1ccc(cc1)C2CCCCC2)Cc3ccc(cc3)C(=O)NCC(C(=O)OC)O)=O	1010
+O=S(=O)(c1cccc2nsnc12)Nc3c(C(=O)NCC(c4cc(Cl)c(cc4)Cl)C)cc(Cl)cc3	1010
+CC(C)CCNC(=O)n1c2c(cc(Oc3cc(ncc3)N)cc2)cc1	1011
+O=C(n1ccc2cc(Oc3ncnc(N)c3)ccc12)NC	1011
+o1c(-c2csc(c2)Cl)cc(C3CC4CC4N3C(=S)NC)n1	1012
+C1C(CO1)(C(c2ccc(C)o2)NC3=C(Nc4cccc5NC(=O)Oc45)C(=O)C3=O)C	1013
+c1cc(ccc1C2CC(CNCCO)CCC2)Cl	1014
+CCC1(CC)c2c(N(CCC(C)(C)NCC(c3c4ccc(nc4cc(OCc5ccccc5)c3)O)O)C(=O)O1)cccc2	1015
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F	1016
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br	1017
+c1ccccc1C(c2ccccc2)N3CC(C3)(NCc4ccccc4)CNC(C)C	1017
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br	1018
+c1ccccc1C(c2cc(OC)cc3c2cc[nH]3)CCNC	1018
+C1CC(CCN1c2ccccc2OC)CNCC3COc4ccccc4O3	1019
+Fc1cc(cc(F)c1)OCCNC	1019
+c1(ccccc1OC)OC(CNCCCc2c3cc(ccc3[nH]c2)F)C	1019
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(-n4nnc(CCNCCC)c4)c3)ccc1F)F	1019
+c1cc(ccc1CCNCCCOC)-c2nc(c(nc2)N)C(=O)Nc3cccnc3	1019
+c1cc(ccc1Cl)CCNCC(O)C	1019
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F	1019
+c1ccccc1C(n2ccc3ccccc23)CCNC	1019
+c1cc(ccc1CCNCCCOC)-c2nc(c(nc2)N)C(=O)Nc3cccnc3	1020
+C(CC(NCCC)CC(=O)N)CCCCCCCCCCC	1021
+C1CCCCC1C2(COC2)CNC	1022
+c1cc(ccc1CCNCC2Cc3c(CC2)cccc3)OC	1022
+C1CN(CCC1NCc2cc(c(cn2)OC)C)CCN3c4c(C=CC3=O)ncc(c4)OC	1023
+C1CN(CCC12CC(C(C2)NCc3nc4c(SCC(N4)=O)cc3)O)c5ccnc6ccc(nc56)OC	1024
+CC(C)(C)n1nc(cc1CC(C)C)CNCCN2CCN(CC2)c3c(C)cc(C)cc3	1024
+c1cc(ccc1)CNCc2nc(nc(N3CCOCC3)c2)Cl	1025
+O=S(=O)(n1cc(c(F)c1-c2ccccc2)CNC)c3cnccc3	1026
+C1CC(CCN1CCSc2nc3cc(OC)ccc3nc2)NCc4cc5OCCOc5cc4	1027
+FC(F)(F)c1cc(ccc1CNC2CCN(CC2)c3c4c(cccc4)c(nn3)-c5ccnn5C)F	1027
+C1CC(CCC1)N(C)C(CCNCc2cc(ccc2[N+](=O)[O-])C(=O)c3ccccc3)=O	1028
+O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCNCc1ccccc1	1029
+c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1	1030
+c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1	1031
+c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2	1032
+O=S(=O)(C)c1c(ccc(Br)c1)CNC	1033
+c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2	1033
+c1cc(ccc1CNC)C(=O)c2ccccc2	1034
+FC(F)(F)c1c(ccc(c1)C(=O)OC)CNC	1035
+c1ccccc1SC(CNC=O)c2c3ccccc3ccc2OC	1036
+c1cc(ccc1)C(C(c2cccc3ccccc23)O)CNC	1037
+FC(F)(F)c1cc(n(n1)C)Oc2cccc(CNC)n2	1038
+c1cc(ccc1)CN2CC(NC)C(c3cc(c(Cl)cc3)Cl)C2	1039
+c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC	1040
+C1CNCCC1=C(c2cccnc2)c3ccc(cc3)F	1041
+c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC	1042
+C1CCCC1N2C(CC)C(=O)N(C)c3cnc(nc23)-c4c(cncc4)CNS(=O)(=O)C	1043
+O=S(=O)(NCCC1CCN(CC1)c2c3sc(C(N)=O)cc3nc(C)n2)C	1043
+O=S(=O)(NCCOCCOc1ccc2c3c(c(nc2c1)N)nc(CCC)s3)C	1043
+C1CCCCC1S(=O)(=O)NCCc2cc(cc(CCC(OCC)=O)c2)Cc3cccnc3	1044
+c1cc(ccc1)CS(=O)(=O)NC2CCC(CC2)c3nc(c([nH]3)-c4cc5OCOc5cc4)-c6nc(ccc6)C	1045
+O=S(=O)(c1cccc(-c2nc(nc(NCCc3ccc(cc3)OC)c2)OC)c1)NCC	1046
+CC1(C)C(N(c2ccc(OCCCNS(=O)(=O)c3ccccc3[N+]([O-])=O)cc2N(C)C1=O)CC)=O	1047
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCC(O)CN2c3ccccc3CCc4c2cccc4	1048
+O=S(=O)(c1ccc(cc1)O)NCC(N2CCN(CC2)C(OCc3ccccc3)=O)C(OC)=O	1049
+CC(C)(C)OC(=O)N1C(CC(Nc2ccc(cc2[N+](=O)[O-])Br)C1)CO	1050
+FC(F)(CNc1ccc(C#N)c(c1F)CC(=O)OCC)c2ccc(cn2)C	1050
+c1cc(ccc1-c2cnnc(NCCO)c2)F	1051
+CC(C)(C)OC(=O)NC1C(Nc2c(cc(C#N)c(Cl)n2)F)CCN(C(C)=O)C1	1052
+O=C(c1c(ccc(C)c1)-c2cnn(C)c2)N3CCCC(C)C3CNc4ccc(cn4)C#N	1052
+Clc1ccc(c(Cl)c1)-c2c(c(NC(CCC)C)ncc2)[N+]([O-])=O	1053
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCNc4ccc(-n5ccnn5)cn4)C3	1054
+CC(C)(C)OC(NCCC(c1cc(Cl)ccc1)Nc2nc(-c3n4ccnc(c4nc3)NCCN5CCOCC5)ccc2)=O	1055
+C1CN(CCO1)c2ccc3N(C(=O)C)C(C(C(Nc4ncc(cc4)C#N)c3c2)C)C5CC5	1056
+n1c(-c2ncccc2)c(cc3ccsc13)C(C)Nc4c5[nH]cnc5ncn4	1057
+CC(C)(C)OC(NCCNc1c2c(ncc1[N+](=O)[O-])cc(OCc3ccccc3)cc2)=O	1058
+CCNc1c(C#N)c(O)nc(C)c1	1058
+c1cc(ccc1)-c2cc(NC(C)CCCN(CC)CC)c3c(cccc3)n2	1058
+CC(C)c1nc(O)c(c(NCC)c1)[N+](=O)[O-]	1059
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nc(C)no4)c2-c5ncccc5)F	1060
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nnc(o4)C)c2-c5ncccc5)F	1060
+CC(C)(Nc1scc(n1)-c2ccc(Br)cc2F)CO	1061
+CC(C)(C)OC(N1C(CCC(C1)C)CNc2ncc(cn2)C(F)(F)F)=O	1062
+C1CC(CCC1C(=O)OCC)Nc2nccc(-n3ccc4c3cccc4Br)n2	1063
+C1CC1c2cc([nH]n2)Nc3c(Cl)cnc(NC(c4ccc(F)cn4)C)n3	1064
+CC(C)(C)OC(=O)NCCC(c1ccccc1)Nc2nccc(n2)-c3n[nH]c4nc(NCCN5CCOCC5)ncc34	1065
+FC(F)(F)Cc1sc2ncnc(NCC3CCN(CC3)C(=O)OC(C)(C)C)c2c1	1066
+C1CC(CCN1Cc2ccc(OC)c(OCC)c2)Nc3nc(nc(c3)C)N	1067
+C1CC1N2C(C(Nc3c(-c4nc(on4)C)c(ncn3)N)CC)=Nc5cccc(Cl)c5C2=O	1067
+c1ccccc1-c2c(C(NC)=O)c3c(nc2C(Nc4c(c(N)ncn4)C#N)C)cccn3	1067
+FC(F)(F)C(C1CCC(CC1)Nc2ncnc(c2Cl)CC)O	1068
+c1ccccc1-c2c(nc(SC)nc2)NC	1069
+CC(C)(C)OC(=O)Nc1c2c(ncn1)n(-c3cccc(c3)NC)c(c2-c4ccc(cc4)Cl)Cl	1070
+CC(C)(C)OC(Nc1c2c(ncn1)n(-c3ccc(cc3)NC)nc2I)=O	1070
+CC(C)(C)[Si](C)(C)OCc1n(C)c2c(cc3C(CCCCCc3c2)=NCc4ccc(OC)cc4OC)c1	1071
+O=S(=O)(c1c([N+](=O)[O-])cccc1)Nc2ccccc2C=NC(C)CO	1072
+O=C(NNc1ccc(cn1)F)N2C(C)CCCC2	1073
+c1(C(=O)NCC2N(CC2)C(=O)CO)cc(F)c(nc1NCCc3cccc(F)c3)-c4cnn(C)c4	1074
+FC(F)(F)c1ccc(cc1)-c2nnc(N3CCN(C(C)C3)C(N4CCC(CC4)(F)F)=O)c5c2ccnc5	1075
+FC(F)(F)c1ccc(cc1)NC(N2CCCC2c3c(Cc4ccc(cc4)Cl)c(C)no3)=O	1076
+FC(F)(F)C(=O)NCC1N(C(c2c(sc(N)n2)-c3cc(F)ccc3)=O)C4CCC1C4	1077
+c1cc(ccc1-c2ccc(cc2)C3C(CCN4C(C)CCC4)C3)C#N	1078
+C1(N(CCOC1)Cc2cc(c(Br)cc2F)F)C	1079
+CC1(C)COCC(C)(C)N1N	1080
+CC1(C)N(N)CCN(C1)S(=O)(=O)C	1081
+CC(C)(C)OC(=O)N(C(C)C(NC(C(=O)N1CCC2N(CC(C(=O)OC)C12)S(=O)(=O)C)C3CCCCC3)=O)C	1082
+C1C2CC3CC1CC(C2)(C3)NC(N4CC5(C4)CCN5S(=O)(=O)c6ccc(cc6)Cl)=O	1083
+O(CC)c1c(c(ccc1)F)C2CC(C(=O)N2Cc3cccc(-c4nc(Cl)cs4)c3)C	1084
+FC(F)C1(c2cccc(c2F)F)COCC(=N1)N	1085
+c1ccccc1COC(N2CCCC(NC(c3ccccn3)=O)C(O)C2)=O	1086
+C(C)OC(N1CCc2c(ccc3CCC(OC)c23)CC1)=O	1087
+C1CN(CCN1c2ccc(cc2F)C(C)OC)C(=O)c3cc(S(=O)(=O)C)ccc3N4CCCCC4	1087
+O1CCOC12CCC(CC2)(OC)c3c(Cl)cccn3	1088
+c1ccccc1Cc2cccc(C(=N)OC)n2	1089
+c1ccccc1CC(C(OC)=O)O	1090
+CC(C)OC(Cc1c(cc(cc1)[N+](=O)[O-])[N+]([O-])=O)=O	1091
+c1cc(ccc1F)C(c2ccc(cc2)F)(CCCBr)C(OCC)=O	1091
+O(C)C(Cc1cc(c(Cl)cc1Cl)OC)=O	1092
+C(OCCOCC=CCBr)COCCOCCC(=O)OC	1093
+c1ccccc1COc2ccc3n(ccc3c2)CCC(OC)=O	1094
+CC1(C)C2CC1C(C(C(OC)=O)C2)C	1095
+c1cc(ccc1F)N2CCN(CC2)C(OCC3CN(C)CCO3)=O	1096
+c1cc(ccc1N2CCN(CC2)C(OCCN(C)C)=O)[N+]([O-])=O	1096
+FC(F)(F)C(C)OC(N1CCC(CC1)C2(Oc3cnc(cc3C2)-c4ccc(cc4)S(=O)(=O)C)C)=O	1097
+C1CN(CCO1)C(=O)OCc2cnc(C)cc2	1098
+c1cc(ccc1-c2nocc2NC(=O)OC(c3c(cccc3)Cl)C)CCCl	1099
+C(C)OC(c1c(O)c2c(c(C)cc(OC)c2)nc1)=O	1100
+CC1(C)CCSc2ccc(cc12)C#Cc3ncc(cc3)C(=O)OCC	1101
+C(C)C(CC)CC(OC(c1ccc(cc1)OC(=O)C)=O)C	1102
+S1c2cccc(c2C(c3c1ccc(C)c3)=O)C(=O)OCCCCCCCCCCCC	1102
+c1(nccc(c1)C(=O)OC)N2NC=C(c3cnccc3)C2=O	1103
+C1CCC(C1)C2N(c3ccc(C#N)c(Cl)c3)N=C4C2CCc5cc(C(OCCCCCCC)=O)ccc45	1104
+C1(=O)c2ccc(cc2Sc3ccc(cc13)C)C(=O)OC	1105
+C1COC(O1)(C=CC2C3C(OC(=O)C3)CC2OC4OCCCC4)COc5cc6c(cccc6)cc5	1106
+Clc1cccc(OCC(F)CCC2C(CC3C2CC(O3)=O)OC4OCCCC4)c1	1107
+c1ccccc1C2NCCOC2	1108
+c1cc(ccc1CCCOC)Cl	1109
+C1=CC(Br)=CC(N1CC(COC)C)=O	1110
+CC(C)(C)OC(N1C(COC)CN(C(=O)c2cc(OC)c(c(c2)OC)OC)CC1)=O	1110
+O(CCc1cc([N+]([O-])=O)ccc1Br)C	1110
+CN(C)c1cc(COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4)ccc1	1111
+CC(C)(C)OC(N1CCCC(Cc2c(F)cccc2)(C1)COC)=O	1112
+C(OCc1ncccc1)c2cc(ccc2)-n3cnc(C(=O)OCC)c3	1113
+c1(cccnc1Br)COC	1114
+c1ccccc1COC(N(C)CC(=O)N(C)c2ccc(cc2)COC)=O	1115
+c1ccccc1CN(Cc2ccccc2)c3c(COC)c([N+](=O)[O-])ccc3	1116
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(cc(c3)Br)F)=O	1117
+c1(COC)c(F)ccc([N+]([O-])=O)c1	1118
+c1(cc(cc(C)c1[N+](=O)[O-])COCC)C	1118
+c1ccccc1C(c2ccc(cc2)COCCN(CC)c3ccccc3)=O	1119
+c1cc(ccc1)COC(=O)N2CC(COC)(CC2)F	1120
+c1cc(ccc1N(C)CCOC)C(OCC)=O	1121
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(CC(CC2)OS(=O)(=O)C)F	1122
+CC(C)C(C(C)C)(OOC(CN=[N+]=[N-])COS(=O)(=O)C)P(O)(O)=O	1122
+CC(C)(OC1OCCCC1)c2c(cccc2)CCC(c3cc(ccc3)C=Cc4nc5c(ccc(Cl)c5)cc4)OS(=O)(=O)C	1123
+O=S(=O)(OCCc1ccc(cc1)CCCCCCCC)C	1124
+c1cc(ccc1NC(=O)C)CCCCOS(=O)(=O)c2ccc(cc2)C	1125
+O=S(=O)(C)OCCc1cnn(c1)-c2nccc(C#N)c2	1126
+CC(C)(C)c1c(cc([N+](=O)[O-])cc1)OC	1127
+C(CCN(C)c1c(cnc(Cl)n1)F)Oc2cc3c(n(CC(OC)=O)cc3)cc2	1128
+CC(C)(C)OC(NC(C(=O)OC1CCCC1)CCOc2cccc(c2)[N+]([O-])=O)=O	1128
+C1CC(CCC1C2CCC(CC2)COc3cccc(F)c3F)C=C	1129
+c12c(cccc1)ccc(c2)OCCCCCCCCCl	1129
+c1cc(ccc1OCC(C#N)(CCCC)C)O	1129
+CC(C)N1N=C(Br)c2ccc(OC)cc2C1=O	1130
+CC(C)N1N=C(Br)c2ccc(OC)cc2C1=O	1131
+FC(F)(F)Cn1nc(c(c1)-c2ccncc2)-c3ccc(cc3)OCc4nc5c(cccc5)n4CF	1132
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc3CC4(CCN(CC4)Cc5ccccc5)Cc3c2)=O	1133
+C1CC(CCN1C(C)C)Oc2nc3CCN(Cc3cc2)Cc4ccccc4	1134
+FC(F)(F)C(Oc1nncc2cc(Br)ccc12)C	1135
+c1(-c2cc(cc(-c3ncccc3)n2)OCC)ncccc1	1136
+c12c3c(ccc1cccn2)c(cc(C)n3)OCC	1136
+C1CC1CCNc2nc3c(c(N)n2)nc(OC)n3C4CCCCO4	1137
+FC(F)(F)c1c(Br)c(ncn1)OCC	1138
+c1cc(ccc1-c2ccc3c(c(OCC)ncn3)c2)F	1138
+C(C1CC1c2ncc(OC)cc2)Oc3nc(C)ncc3Br	1139
+c1cc(ccc1)CN2CC(OCC2)C3(OCCO3)C	1140
+O=S(=O)(C)OCCC1(C(=O)N2CC=CC(C(OC)=O)N2C1=O)C	1141
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)C)CC1C(=O)OC	1142
+CC(C)(C)OC(N1CC(c2ccccc2)CC1COS(=O)(=O)C)=O	1143
+FC(F)(F)c1cccc(N2C(c3c(non3)NCCOS(=O)(=O)C)=NOC2=O)c1	1143
+CC(C)(C)OC(=O)C(C(CCc1ccc(cc1)I)OCc2ccc(cc2)OC)CCOS(=O)(=O)C	1144
+O=S(=O)(OCCN1C(c2cc(Br)sc2C1(C)C)=O)C	1144
+O=S(=O)(OCCOCCCCCCN1CC(OC1=O)c2cc3c(cc2)OC(C)(C)OC3)C	1144
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCOS(=O)(=O)C	1144
+c1cc(ccc1C(CCOS(=O)(=O)C)n2cncc2)C#N	1144
+O=S(=O)(C)OCCCn1cnc2ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)cc12	1145
+O=S(=O)(OCCC1n2cc(I)cc2C(=O)NC1)C	1146
+c1(cc(cc(F)c1)C(C2CCN(CC2)S(=O)(=O)C)CC(OC(C)C)=O)F	1147
+c1cc(ccc1F)C(NC2CCN(CC2)S(=O)(=O)C)=O	1148
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(ccc(F)c2Cl)F)=O)C3CCCCN3C	1149
+FC(F)(F)c1cc(ccc1C#N)-n2nnnc2CN3CCN(CC3)S(=O)(=O)CCC	1149
+O=S(=O)(CCC)N1CCC(CC1)(c2ncccc2)C#N	1149
+C1CC(CCN1S(=O)(=O)CC)Nc2nc(N)c(C(=O)c3c(F)cccc3)cc2	1150
+C1CN(CCC1c2c3cc(-c4c(cc(F)cc4)F)cc(c3[nH]c2)C(N)=O)S(=O)(=O)CC	1150
+FC(F)(F)COc1ccc(cc1)N2CCN(CC2)S(=O)(=O)C	1150
+O=S(=O)(N1CC(Nc2nc(-c3cnc4ccc(cn34)C#N)ncc2)CCC1)CC	1150
+CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCN(CC3)S(=O)(=O)CC)cn2)c4ccccc14	1151
+C1CN(CCC1Oc2sc3cc(C4=CCN(S(=O)(=O)CCC(=O)OC)CC4)ccc3n2)c5nnc(C)s5	1152
+O=S(=O)(CC)N1CC=C(c2nc(c(N)nc2)-c3noc(n3)-c4ccccc4)CC1	1153
+CC(C)(C)OC(=O)NC(CCNS(=O)(=O)C)c1ccc(cc1)Cl	1154
+CC(C)(C)OC(NC1CCc2c(cc(cc2)CNS(=O)(=O)CCC)C1Cc3ccccc3)=O	1155
+C1CC(CCC1NC(OCc2ccccc2)=O)CNS(=O)(=O)C(C)C	1156
+O=S(=O)(CC)Nc1c(F)c(C(=O)c2c[nH]c3ncncc23)ccc1	1157
+O=S(=O)(Nc1ccc(C(C)=O)cc1Sc2ccc(F)cc2F)C	1157
+c1ccccc1P(c2ccccc2)(=O)c3ccc4c(cccc4)c3-c5c6c(ccc5NS(=O)(=O)C)cccc6	1158
+C1CC1(CC=C)S(=O)(=O)Nc2c(c(F)c(cc2)F)Nc3c(cc(I)cc3)F	1159
+C1(c2ccccc2C(=O)N1CCCOc3ccc(cc3)NS(=O)(=O)C)=O	1160
+O=S(=O)(C)OCCOc1ccc(-c2ccccc2F)nc1	1161
+C1CCCCC1C(c2n(-c3ccc(cc3)Cl)nc4CCCc24)COS(=O)(=O)C	1162
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COS(=O)(=O)C)=O	1163
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COS(=O)(=O)C)=O	1164
+FC(F)(F)c1c(c(Cl)ccc1)COS(=O)(=O)C	1165
+FC(F)(F)c1cc(c(COS(=O)(=O)C)cc1)Oc2cc(C#N)ccc2	1166
+O=S(=O)(C)OCCOc1ccc2c(ccnc2c1)-c3c4n(nc3-c5ccccn5)CCC4	1167
+c1cc(ccc1)COc2ccccc2OCCOS(=O)(=O)C	1167
+O=S(=O)(CC)Oc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C	1168
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(CSC)C3CCCCC3	1169
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(CSC)C3CCCCC3	1170
+CC(C)(C)OC(=O)NC(CSC)C	1170
+c1cc(ccc1O)CSCCC(=O)OCC	1171
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)c2c(ccc(C(OC)=O)n2)F	1172
+CC(C)(C)[Si](C)(C)OCCOCc1nccs1	1173
+CC(C)(C)[Si](C)(C)OCCCc1ncsc1	1174
+CC(C)(C)[Si](C)(C)OCc1[nH]c2ncccc2c1	1175
+CC(C)(C)[Si](C)(C)OCc1n(c2ccc(cc2c1)Cl)CCCSC	1175
+CC(C)(C)[Si](C)(C)OCc1cc(Cl)ncc1	1176
+CC(C)(C)[Si](C)(C)OCCOCc1nccs1	1177
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)-c2ccccc2[N+]([O-])=O	1178
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)Cc2c(sc(c2)Br)Cl	1178
+CC(C)[Si](C(C)C)(C(C)C)OC1=CCC(CC1)c2c(cc(c(F)c2)F)F	1179
+CC(C)[Si](C(C)C)(C(C)C)OCC(COCc1ccc(cc1)Br)C	1180
+CC(C)[Si](C(C)C)(C(C)C)OCC1(CCCCC1)N	1181
+C(c1sc2c(cc(Cl)cc2)c1CC)(=O)C	1182
+CN(C)C=CC(c1c(c2cc(ccc2s1)Cl)CC)=O	1183
+c1cc(ccc1Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O)C#N	1184
+c1ccccc1COC(N2Cc3oc(-c4ccccn4)nc3CCC2)=O	1185
+c1(ccc2Cc3c(-c2c1)n(C)c4ccccc34)OC	1186
+Clc1cc2c(c(sc2cc1)-c3ccnc(n3)N)CC	1187
+CC(C)=CCCc1cc(n[nH]1)C(OCC)=O	1188
+c1cc(ccc1CCc2cc(C(OCC)=O)[nH]n2)OC	1189
+c1cccc(c1-c2noc(c2)CO)F	1190
+c1cc(ccc1-c2noc(C(C)O)c2)F	1191
+c1cc(ccc1)C(c2ccccc2)n3c4ccc(Cl)cc4cc3CCNS(=O)(=O)Cc5cc(c(cc5)Cl)Cl	1192
+CC(C)(C)OC(=O)N(CCCc1cc2cc(ccc2[nH]1)C(Nc3ccc(c(OC)c3)OC)=O)C	1193
+FC(F)(F)c1c(cc2cc([nH]c2c1)C(CSCC)(C)O)C#N	1194
+CC(C)c1cc(Cl)nc(-c2ccc(cc2)Cl)n1	1195
+c12[nH]c(C)cc1cc(cn2)F	1196
+c1cc(ccc1S(=O)(=O)OCC(C)(C)CS(=O)(=O)N)C	1197
+c1cc(ccc1C)S(=O)(=O)OCCCCCC2CCN(CC2)C(=O)OCc3ccccc3	1198
+c1cc(ccc1S(=O)(=O)OCC(F)(F)c2ncccc2)C	1198
+CC(C)(CCCOS(=O)(=O)c1ccc(cc1)C)NC(=O)OCc2ccc(cc2)[N+]([O-])=O	1199
+Brc1ccnc2c1cc(C)[nH]2	1200
+CC(C)c1ccc2nc(cn2n1)C	1201
+CC(C)c1ccc2nc(cn2n1)C	1202
+c1cc(ccc1CCNc2ncc(c(O)n2)Cc3cnc(nc3)OC)Oc4ccc(cc4)Cl	1203
+c1cc(ccc1F)Oc2ccc(cc2)CCNc3ncc(c(O)n3)Cc4cnc(nc4)OC	1203
+n1c(ncc(c1O)Cc2ccc(nc2)OC)NCCSCc3nc[nH]c3C	1204
+n1c(ncc(c1O)Cc2ccc(nc2)OC)NCCSCc3nc[nH]c3C	1205
+FC(F)(F)c1c(F)ccc(c1)Oc2c(cc(CSc3nc(O)c(cn3)Cc4cnc(nc4)OC)cc2)C#N	1206
+FC(F)(F)c1c(F)ccc(c1)Oc2c(cc(CSc3nc(O)c(cn3)Cc4cnc(nc4)OC)cc2)C#N	1207
+n1c(N[N+]([O-])=O)ncc(c1O)Cc2ccc(nc2)OC	1208
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(cc3Oc4ccccc4)Br)sc2	1209
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(cc3Oc4ccccc4)Br)sc2	1210
+ClC(Cl)(Cl)c1onc(Cc2ccccc2)n1	1211
+C1CC(CCN1c2nc(on2)C(C)C)CCCO	1212
+c1c(F)c(c(cc1)F)C(=O)Nc2cccc(-c3c(sc(C(C)C)n3)-c4ccnc(n4)Cl)c2	1213
+c1ccccc1-c2nc3cc(ccc3cc2)-c4nc(n5ccnc(Cl)c45)C	1214
+FC(F)(F)c1cc(-c2[nH]c(C3CCC(CC3)CNC(OCc4ccccc4)=O)nc2)ccc1	1215
+c1ccccc1-c2nc([nH]c2)CC3COCc4ccccc4CN3S(=O)(=O)c5c6c(ccc5)cccn6	1216
+c1cc(ccc1)-c2csc(CC3(CCC3)COCc4ccccc4)n2	1217
+CC(C)(C)OC(=O)NC(C(c1onc(-c2c(Cl)cc(cc2)NS(=O)(=O)C)n1)C)C(=O)N3CCCC3	1218
+c1(-c2noc(n2)C)cc(N)c(C)cc1	1219
+CC(C)(C)c1cc(cc2c1OCC2(C)C)-c3noc(C)n3	1220
+[nH]1c(CCCCCCC(OC)=O)nc2cc(ccc12)Br	1221
+c1cc(ccc1)COC2CC(C2)c3[nH]c4c(cccc4)n3	1222
+CN(C)CCCn1c(nc2cc(C)ccc12)CCCCCCCCCCCCCCCCC	1223
+CC(C)(C)OC(N1C2C(C2)CC1c3[nH]c4c(n3)ccc5cc(ccc45)Br)=O	1224
+C1CCC(C1)Oc2cc(ccc2OC)Cc3nc4cccc(c4o3)[N+](=O)[O-]	1225
+c1(nc2c(c(Cl)c1)cc(cc2)Br)C	1226
+FC(F)(c1nc2c(cccc2Cl)c(n1)Cl)c3ncc(F)cc3	1227
+FC(F)(F)c1c(-c2cc3c(cc2)c(nc(C)n3)O)nccc1	1228
+c1cc2c(c(Cl)cc(n2)C)cc1I	1229
+CC(C)(C)OC(N(CCCc1ccc2CCCNc2n1)CC(=O)OCC)=O	1230
+c1cc(ccc1F)-c2noc(Cn3c(CCC)nc4cnc5cccnc5c34)c2	1231
+c1ccccc1C(CCCCCn2c3c4ccccc4ncc3nc2CCCC)=O	1232
+c1ccccc1OCCn2c(CCCC)nc3cnc4c(cccc4)c23	1232
+CC(C)(C)OC(=O)NCCCCn1c2c3c(cc(cc3)OCc4ccccc4)ncc2nc1CCOC	1233
+c1cc(ccc1)Oc2nc(c(C)c3n(CCOCCCc4sccn4)c(nc23)COCC)C	1233
+c1ccccc1COc2ccc3c(ncc4nc(n(CC(C)(C)NS(=O)(=O)C)c34)COCC)c2	1234
+C1CC(CCC1Cc2cc(N)n3nccc3n2)C(OCC)=O	1235
+CCCCc1cc(n2c(ccn2)n1)NC	1236
+CC(C)(C)OC(=O)N1CC(n2c3c(cnc4c3scc4)nc2C(C)O)CCC1	1237
+c1(F)cccc(F)c1-c2c(N)n(nc2C)C	1238
+c1cc(ccc1F)-c2c(Br)c(nn2C)C	1239
+FC(F)(F)C(NCCc1cccc(c1)-n2c(N)cc(C(C)(C)C)n2)=O	1240
+O=S(=O)(C)C1CN(c2cc(C)nn2-c3cc(Cl)ncc3)C(C1)C(=O)OC	1241
+FC(F)(F)C(c1ccc(cc1)-n2c(N)cc(n2)C)O	1242
+n1c2CCNc3c(c(F)ccc3)-n2c(C)n1	1243
+n1c2CCc3c(c(F)cc(Br)c3)-n2c(C)n1	1244
+CC(C)(C)OC(=O)NCCc1oc(C)nn1	1245
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCc3nnc(C)o3)C	1245
+FC(F)(F)C(c1nnc(N)o1)(O)C	1246
+C(c1nnc(N)o1)CCCCCCCCCCCC	1247
+C(C)(Oc1c(Cl)cccc1)c2nnc(N=C=O)s2	1248
+CC(C)(C)Cc1nnc(-c2ccc(cc2)[N+](=O)[O-])o1	1249
+c1cc(ccc1C#N)-c2nnc(C(Nc3c4c(cccc4)c(C#N)cc3)C(C)O)o2	1250
+CC(C)(C)OC(NC(C)c1c(c(c2c(ccc(c2)F)n1)-c3nnc(C)o3)-c4ncccc4)=O	1251
+n1cc(cc(c1)-c2nnc(CCl)o2)Br	1252
+c1(nnc(o1)C)-c2cc(Br)cnc2N	1253
+FC(F)(F)c1ncc(cc1)Cc2n3c(nn2)cc(c(Br)c3)-c4ccc(cc4)Cl	1254
+c1cc(ccc1CN2C(c3c(ccc(Cc4nnc5ccc(-c6cccnc6)nn45)c3)N=C2)=O)OC	1255
+c12c(Cl)nc3c(n1c(CC)nn2)cccc3	1256
+c1cc(ccc1)Cn2nnnc2C3CCCN3C(=O)OCc4ccccc4	1257
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)-c2cc(Cl)ccc2)c3n(nnn3)CCC#N	1258
+C1CC1c2c(cc(c(F)c2)[N+]([O-])=O)-n3c(nnn3)C(C)C	1259
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)c2[nH]nnn2	1260
+c1([nH]nnn1)C(Oc2cc(ccc2)Oc3ccccc3[N+]([O-])=O)C	1260
+CC(C)(C)OC(=O)N1C(c2nnn[nH]2)CCC1	1261
+CC(C)(C)OC(=O)NC(c1[nH]nnn1)Cc2ccc(cc2)-c3cc(Cl)ccc3	1262
+c1cc(ccc1S(=O)(=O)N2C(c3ccc(cc3)F)CCC2c4nnn[nH]4)C	1263
+CC(C)(C)OC(=O)NC(c1[nH]nnn1)Cc2ccc(cc2)-c3cc(Cl)ccc3	1264
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(COCc3ccccc3)on2	1265
+C1CN(CCC12CC3(C2)Cc4cc(C=5CCN(S(=O)(=O)C)CC=5)ncc4O3)c6nc(no6)CCC	1266
+c1cc(ccc1COC2=CC(N(C=C2)c3ccc4c(c3)n(c(C5CCC5)n4)C)=O)Cl	1267
+CC(C)(C)C(=O)NCc1c(F)c(c(cc1)F)Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(OCC(F)F)cc3n2C	1268
+CC(C)(C)C(=O)NCc1c(F)c(c(cc1)F)Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(OCC(F)F)cc3n2C	1269
+C1CC1C(=O)N2CCC(Cn3c(-c4ccc(cc4)Br)nc5c3cc(F)cc5)C2	1270
+c1cnccc1-c2nnc(N3CCOCC3c4cc(on4)-c5cccc(Cl)c5)n2C	1271
+c1cnccc1-c2nnc(N3CCOCC3c4cc(on4)-c5cccc(Cl)c5)n2C	1272
+c1cnccc1-c2nnc(N3CCOCC3c4cc(on4)-c5cccc(Cl)c5)n2C	1273
+n1(CCO)cnc2cccc(Br)c12	1274
+c1(c(OCc2ccc(nc2)OC)ccc(c1)Cn3cnc4cc(I)ccc34)OC	1275
+c1c(cc2n(cnc2c1)Cc3cncc(F)c3)Br	1276
+CC(C)(C)OC(N1CCC(CC1)n2cnc3cnccc23)=O	1277
+c1cc(ccc1OC)Cn2cnc3cnc(cc23)Br	1278
+c1(c(OCc2ccc(nc2)OC)ccc(Cn3c4c(cc(cn4)I)nc3)c1)OC	1279
+CCCn1cncc1CO	1280
+CC(C)(C)OC(=O)N1CC(C1)n2c(ccn2)-c3c(ccc(c3)Cl)O	1281
+CC(C)(C)OC(=O)N1CC(C1)n2nccc2-c3cc(ccc3O)C(F)(F)F	1281
+CC(C)(C)c1cc2OC3(CCCCCC3)Cc2c(c1O)CC(=C)C	1282
+O=S(=O)(NC1=C2OCCN2C(C(C)=C1Nc3c(F)cc(I)cc3)=O)C4CCC4	1283
+c1cc(ccc1Sc2c(C(O)C=C)c(F)ccc2)F	1284
+c1cc(ccc1Sc2c(C(O)C=C)c(F)ccc2)F	1285
+C1CC1c2c(C)n3c(ccc(c3)N4C=CC(OCc5ccc(F)cc5F)=CC4=O)n2	1286
+c1cc(ccc1CC=2C(N(c3n(ncn3)C=2CCC)C4CCC(CC4)OCC(C=C)=O)=O)-c5ccccc5C#N	1287
+C1CN(CCN1C)c2nc(SC3CCN(CC3)C(=O)C=C)nc(c2)Nc4ncc(C#N)s4	1288
+c1cc(ccc1Oc2c(cc(cn2)N3CCC4(C3)CN(C(=O)C=C)CC4)C(=O)N)Oc5cc(ccc5)F	1288
+c1cc(ccc1Oc2ccccc2)-c3c(c(nn3C4CCCN(C(=O)C=C)C4)N)C(N)=O	1288
+CC(C)(C)OC(Nc1cc(ccc1C=CC(N2CCN(CC2)Cc3ccc(cc3)F)=O)Cl)=O	1289
+C1CN(CCO1)c2nc(nc3cc(sc23)CN(C(=O)C=C)C)-c4cc(ccc4)O	1290
+C1CN(CCC1)C(c2ccc(cc2)S(=O)(=O)N3CCC(CC3)NC(=O)C=C)=O	1291
+CN(C)c1ccccc1CN2CC(CC2)Nc3cnc(C=CC(NOC4CCCCO4)=O)cn3	1292
+C1CN(CCO1)CCCOc2c(NC(=O)C=C)cc3c(c2)ncnc3N(C(C)=O)c4ccc(F)c(c4)Cl	1293
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC(=O)C=C	1293
+CN(C)C1CN(c2c(cc(Nc3nc(-c4c5ccccc5n(c4)C)ccn3)c(c2)OC)NC(C=C)=O)CC1	1293
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(c2c(F)c1)Oc4cccc(NC(C=C)=O)c4	1293
+C(COC)Oc1ccc(Nc2nc(c(F)cn2)Nc3cccc(c3)NC(=O)C=C)cc1O	1294
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCN(CC3)CCC4=C(N=C5N(C(=CS5)C)C4=O)C	1295
+CC(C)n1c2c(cn1)c(C(NCc3c(nc(C)cc3C)O)=O)cc(C4=CCN(CC4)C(=O)CCCN(C)C)n2	1296
+C1CCN(C1)CC=Cc2cc3c(c(Nc4cc(c(Sc5n(C)ccn5)cc4)Cl)c(cn3)C#N)cc2	1297
+c1cc(ccn1)CN2CC3=C(CC2)c4c(cc(cc4)OC)OC3=O	1298
+CC(C)(C)Cc1coc2cc(OCC=C)ccc12	1299
+FC(F)(F)C(N1C(Cc2cc(c(cc2C(C)C1)Br)OCC=C)C)=O	1299
+c1cc(c2c(c(C)co2)c1OCC=C)C(=O)c3sccc3	1299
+C(c1c(c(C(=O)OC)ccc1Cl)O)C=C	1300
+CC(C)(C)c1cc(O)c(cc1OC(C(C)(C)C)=O)CC=C	1300
+c1cc(ccc1CCc2oc3c(c(c(cc3)CC=C)O)c2C)OC	1300
+o1c2c(c(c1CC)C)c(O)c(cc2)CC=C	1300
+CC(C)(C)OC(CC(=O)CC(O)C=CC(=C(c1ccc(cc1F)C)c2ccc(cc2F)C)c3n(C)nnn3)=O	1301
+c1cc(ccc1C2C(C=C)C2)Br	1302
+c1cc(cc(I)c1OC=C)CCCO	1303
+O=S(=O)(NCCOc1ccnc(Oc2c(cc(Cl)c(c2)Cl)I)c1)C=C	1304
+O=S(=O)(NCCOc1ccnc(Oc2c(cc(Cl)c(c2)Cl)I)c1)C=C	1305
+c12c(cc(C=C)c(c1)OC)cc(cc2)Br	1306
+c1ccccc1C(CCN2CCC(CC2)CCCc3ccccc3)Cl	1307
+c1cccc2C=Cc3ccccc3C(c12)Cl	1308
+c1ccccc1C(CCl)CN2CCOCC2	1309
+c1ccccc1COc2c(ccc(OCc3ccccc3)c2)CCl	1310
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4cc(Cl)[n+]([O-])cc4	1311
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4ccnc(c4)Cl	1312
+C1CCCCN1CCOc2c3ccc(nc3c(cc2)Cl)Cl	1313
+C1CCCCN1CCOc2c3ccc(nc3c(cc2)Cl)Cl	1314
+FC(F)(F)C(=CC(=O)c1cc2c(s1)cccc2Cl)c3cc(Cl)cc(Cl)c3	1315
+FC(F)(F)C1(CC(=NO1)c2cc3c(cccc3Cl)s2)c4cc(Cl)cc(Cl)c4	1316
+FC(F)(F)C1(CC(=NO1)c2cc3c(cccc3Cl)s2)c4cc(Cl)cc(Cl)c4	1317
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(c4ccccc34)Br	1318
+O=S(=O)(n1c2c(cc(cc2)CC[N+](=O)[O-])c3cc(cnc13)Cl)c4ccccc4	1319
+CC(C)(C)OC(=O)CCC=1[N+](=O)C(=C=[N-])C=CC=1	1320
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	1321
+C1C2CC3CC1CC(C2)(C3)CCOCCOCCN=[N+]=[N-]	1322
+FC(F)(F)c1cccc(N2C(=NOC2=O)c3nonc3NCCN=[N+]=[N-])c1	1322
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	1322
+N1CC(CN=[N+]=[N-])c2c1cccc2	1322
+N(=[N+]=[N-])CC1OC(N2C=C(I)C(N)=NC2=O)CC1O	1323
+[N-]=[N+]=NCC1OCN(C1)c2ccc3C(N4C(=Nc3c2)C(c5cc(ccc45)F)=O)=O	1323
+c1ccc2c(c1)c3c(cccc3)n2CCCN=[N+]=[N-]	1323
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	1324
+[N-]=[N+]=Nc1c2c(nc(-c3cc(F)ccc3)c1)ccc(c2)Br	1325
+Ic1c(NC(Nc2c(cc(cc2)N=[N+]=[N-])O)=O)cccc1	1326
+C1CC(CCC12CCC(CC2)C#N)O	1327
+C1CC(CCC1(F)CO)(C#N)NC(=O)OCc2ccccc2	1328
+c1cc(ccc1F)CN2c3ccccc3C(Cl)=C(C#N)C2=O	1329
+c1cc(ccc1F)CN2c3ccccc3C(Cl)=C(C#N)C2=O	1330
+C1CC1C=C(C(N2CCCC2Cn3c4c(c(n3)-c5c(F)cc(cc5)Oc6cccc(F)c6F)c(N)ncn4)=O)C#N	1331
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(N)ncnc4n(CC5N(CCC5)C(C(=CC6CC6)C#N)=O)n3)F	1331
+c1cc(ccc1-c2nn(C3CN(CCC3)C(C(=CC4CC4)C#N)=O)c5ncnc(c25)N)Oc6c(cccc6)F	1331
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6c(ccc(F)c6)F	1331
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(N)ncnc4n(CC5N(CCC5)C(C(=CC6CC6)C#N)=O)n3)F	1332
+c1cc(ccc1-c2nn(C3CN(CCC3)C(C(=CC4CC4)C#N)=O)c5ncnc(c25)N)Oc6c(cccc6)F	1332
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6c(ccc(F)c6)F	1332
+C1COC2(O1)CCC(CC2)CC#N	1333
+C1Cc2ccc(nc2NC1)CCC#N	1334
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C4CCC(CC4)CC#N)nc3	1334
+c1c(cc(CCCC#N)c(F)c1)Br	1335
+c1cc(ccc1)CN2CCC(C2)CC#N	1335
+c1ccccc1COCC2C(CC=CC2)CC#N	1335
+CC(C)(C)OC(=O)N1CCCC(C(OCC#N)c2cc(Cl)cc(c2)F)C1	1336
+CC(C)(C)OC(=O)N1CCCC(C(OCC#N)c2cc(Cl)cc(c2)F)C1	1337
+CC(C)(C)OC(=O)N1CCCC(C(OCC#N)c2cc(Cl)cc(c2)F)C1	1338
+c1cc(ncc1Br)CC#N	1339
+C(c1c[nH]c2c([N+]([O-])=O)cccc12)C#N	1340
+Clc1cc(CC#N)cc(OC)c1	1341
+FC1(F)Oc2cc(ccc2O1)CC#N	1342
+Brc1cc(cc(Br)c1)CC#N	1343
+Clc1cc(CC#N)cc(OC)c1	1343
+FC1(F)Oc2cc(ccc2O1)CC#N	1343
+[N+](c1cc(CC#N)cc(Br)c1)([O-])=O	1343
+c1c2c(nc(-c3cc(c(CC#N)cc3)-c4cc(ccc4)C#N)o2)ccc1	1344
+[N+](c1cc(CC#N)cc(Br)c1)([O-])=O	1345
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CC#N	1345
+Clc1cc(cc(Cl)c1CC#N)Cl	1346
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CC#N	1346
+C(Cc1cc2nccnc2cc1)#N	1347
+c1(I)cc(ccc1F)CC#N	1347
+C1CC(CCC1C(OC)=O)C#N	1348
+CC(C)(C)OC(=O)NC(CC#N)c1ccc(cc1)-c2ccccc2	1348
+c1c2NC(CCc2cc(C#N)c1)=O	1349
+CC(C)(C)OC(CCc1cccc(C#N)n1)=O	1350
+CC(C)(C)OC(CCc1cccc(C#N)n1)=O	1351
+Nc1ncc(C#N)c(Cl)c1	1352
+N#Cc1ccc2C(=O)c3c(ccc(Br)c3)-c2n1	1353
+N#Cc1ccc2C(=O)c3c(ccc(Br)c3)-c2n1	1354
+c1cc(ccc1Cl)-c2c(nc(Cl)c(c2)C#N)-c3c(Cl)cccc3	1355
+c1cc(ccc1Cl)-c2c(-c3c(Cl)cc(cc3)Cl)nc(O)c(c2)C#N	1356
+[nH]1cc(c2c1ncnc2Cl)C#N	1357
+n1c2c(ccc1)cc(C#N)cc2	1358
+FC(F)(F)C1C(C(OCC)=O)=Cc2cc(C#N)ccc2O1	1359
+c1c(Nc2cncc(-c3ccccc3F)c2C#N)c(F)cc(I)c1	1360
+n1c2c(ccc1)cc(C#N)cc2	1361
+C1CC(CCC1)NC2CN(CC2)C(=O)OCc3ccccc3	1362
+CC(C)(C)OC(=O)N1CC(CC(N=[N+]=[N-])C1)C(OC)=O	1363
+O=S(=O)(C)NC1CCCOc2c1cccc2	1364
+FC(F)(F)S(=O)(=O)Oc1cc2c(C(CCC2)N=[N+]=[N-])cc1	1365
+C1CN(CCC1CCCC(=O)N)C(N(C(=O)Oc2ccccc2)c3nccc(c3)Oc4cc5ccn(C(=O)NC)c5cc4)=O	1366
+CC(C)(C)OC(=O)NC1C(F)CN(C(=O)OCc2ccccc2)C1	1367
+CC(C)(C)OC(NC1CCOc2cc(ccc12)C#N)=O	1367
+FC(F)(F)c1ccc(cc1)C=Cc2nc(C(=O)Nc3ccc(cc3)CCCCn4ccnn4)co2	1368
+C1Cc2ccccc2C(c3c1cccc3)=CC4CN(CCO4)C(=O)OCC	1369
+FC(F)(F)C(=O)N(C)c1ccc2nc(oc2c1)C	1370
+CC(C)(C)OC(=O)Nc1onc(c1)C(C)(C)CNC	1371
+c1cc(ccc1C#N)CCCNCCO	1372
+CC(C)(C)[Si](C)(C)OCCOc1cccc(CNC)c1	1373
+c1(cc(ccc1Br)C2NCCC2)F	1374
+CC(C)(C)OC(=O)N1C(CNC(=O)C(F)(F)F)C2CCC1C2	1375
+FC(F)(F)c1ccc(cc1)C2c3c(cc(cc3)F)CCN2	1376
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1377
+N(C)c1ccc2nc(oc2c1)C	1378
+N(C)c1ccc2nc(oc2c1)C	1379
+FC(F)(F)c1ccc(cc1)C2=NCCc3cc(ccc23)F	1380
+CC(C)(C)OC(N1CC(c2c3cccc4CCCn(c2)c34)C(c5c[nH]c6c5cccc6)C1)=O	1381
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN2C(c3c(C2=O)cccc3)=O	1382
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1383
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1384
+CC(C)(C)OC(=O)N1C(CC2CCCC12)CNCc3ccccc3	1385
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1385
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1386
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1387
+c1cc(ccc1C(OCC)=O)NCCOc2c3c(ccc2)cccc3	1388
+C1CC(CCC1C(OCCCC)=O)CN=[N+]=[N-]	1389
+C1CC(CCC1C(OCCCC)=O)CN=[N+]=[N-]	1390
+N(=[N+]=[N-])CC1C(C(O)C(n2c3c(c(nc(N)n3)O)nc2)O1)O	1391
+N(=[N+]=[N-])CC1NC(c2c(C1)cccc2)=O	1391
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(OCCN=[N+]=[N-])CC2COc4c(F)ccc(F)c34	1391
+c1cc(ccc1)COC(=O)N2CCCC(CN=[N+]=[N-])C2	1391
+c1cc(ccc1CCN=[N+]=[N-])CCOC2OCCCC2	1391
+C1CC1NCc2c(ccc(c2)Br)Cl	1392
+c1cc(ccc1NCc2cc(ccc2)OC3CCCCO3)OCCN4CCCC4	1393
+[N-]=[N+]=NCc1ccc2c(c1)OC(C=C2c3cc(F)ccc3)=O	1394
+N(Cc1ccccc1-c2nnsc2)=[N+]=[N-]	1395
+N#Cc1cc(F)c(cc1F)CN=[N+]=[N-]	1396
+CC(C)(C)OC(=O)Nc1cnc(nc1Oc2c(cccc2)C)SC	1397
+FC(F)(F)C(Nc1ccc2nc(C)oc2c1)=O	1398
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)NS(=O)(=O)C	1399
+[N-]=[N+]=Nc1cc(ccc1)OCC(=O)O	1400
+n1n2c(c(O)ccc2)nc1NC(OCC)=O	1401
+c12C(=O)c3c(ccc(Br)c3)-c1nc(cc2)C=NO	1402
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCc3cccc(C#N)c3	1403
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCc3cccc(C#N)c3	1404
+FC(F)(F)C1=CC(=O)N(C(N1)=O)c2c3OCCCc3c(Cl)cc2F	1405
+CC(C)CN1c2nn(Cc3ccnc4ccc(cc34)Cl)c(-c5n(C)ccc5)c2C(NC1=O)=O	1406
+c1ccccc1-c2n(-c3cc(ccc3O)[N+]([O-])=O)cc4N(C)C(N(C(=O)c24)C)=O	1407
+S=C1N(c2[nH]cnc2C(=O)N1)c3cc(CC)ccc3	1408
+S=C1N(c2[nH]cnc2C(=O)N1)c3cc(CC)ccc3	1409
+c1c2c(OCCN2)cc([N+]([O-])=O)c1	1410
+CC1(C)Cc2c(n3CCN(c4nccc(C5=CN(C(C(=C5)Nc6cc7n(CCOC7)n6)=O)C)c4C=O)C(=O)c3c2)C1	1411
+C1OCC1N(C)Cc2n(C)nc(c2)NC3=CC(=CN(C)C3=O)Br	1412
+O=S(=O)(C)c1ccc(c(c1-c2ccon2)C)C(=O)C3C(=O)N(N=C3)CC	1413
+O=S(=O)(C)c1ccc(c(c1-c2ccon2)C)C(=O)C3C(=O)N(N=C3)CC	1414
+c1cc(cc2C(=O)C(=O)Nc12)F	1415
+C1CC1c2sc(nn2)N3C(CCN(C)C3=O)OC(=O)CCl	1416
+CC(C)(C)c1nnc(s1)N2C(OC(Oc3cc(ccc3)[N+]([O-])=O)=O)CCN(C)C2=O	1417
+C1(c2c(C(=O)N1C(C)C3=C(Br)C(N4C(C)=CC=CC4=N3)=O)cccc2)=O	1418
+C1(c2c(C(=O)N1C(C)C3=C(Br)C(N4C(C)=CC=CC4=N3)=O)cccc2)=O	1419
+C1(c2c(C(=O)N1C(C)C3=C(Br)C(N4C(C)=CC=CC4=N3)=O)cccc2)=O	1420
+OC(C=1N=C2C=CC=C(C)N2C(C=1Br)=O)C	1421
+OC(C=1N=C2C=CC=C(C)N2C(C=1Br)=O)C	1422
+C1C(c2cccnc2)CC(N)C1	1423
+CC(C)(C)OC(=O)N1CC(CC1)(C)N2CCC(CC2)N	1424
+C1CC(CCC12COC2)N	1425
+C1C2CCC(CC1N)N2Cc3ccccc3	1426
+c1ccccc1CC2CCC(CC2)N	1427
+Clc1cccc(c1)C(N)Cc2ncccc2	1428
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(N)c2cc1	1429
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(N)c2cc1	1430
+C1=CC=C(C)N2C(C(Br)=C(N=C12)C=O)=O	1431
+c1cc(ccc1)-c2c(F)cc(C(N)=NO)cc2	1432
+n1c2c(ccc1)cc(cc2)C(=O)N	1433
+NC(=O)c1c(Nc2ccc(I)cc2F)cncc1-c3ccccc3F	1434
+FC(F)(F)c1c(cnn1-c2ccc(Cl)cc2Cl)C(=O)N	1435
+NC1=C(N)C(NC(=O)N1)=O	1436
+C1(N(Cc2c(F)cccc2)C(C(N)=C(N)N1)=O)=O	1437
+c1c(ccc2c1C(Cl)=C(C#N)C(=O)N2C)F	1438
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3C(C(c4c(cc5OCOc5c4)O)(c6ccccc36)CO)=O	1439
+Clc1ccc(c(c1)O)C2(CO)C(=O)N(c3ccccc23)CC(=O)OC	1440
+Oc1c(cc(F)cc1)C2(C(N(CCCCC)c3ccccc23)=O)CO	1440
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3C(C(c4c(cc5OCOc5c4)O)(c6ccccc36)CO)=O	1441
+Clc1cc(c(cc1)C2c3c(cccc3)N(C2=O)CC(=O)OC)O	1442
+C1CN(CCC1)c2nc(C=C3SC(=S)N(CC(=O)O)C3=O)cs2	1443
+C1CN(CCC1)c2nc(C=C3SC(=S)N(CC(=O)O)C3=O)cs2	1444
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3c4ccccc4C5(COc6cc7OCOc7cc56)C3=O	1445
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3c4ccccc4C5(COc6cc7OCOc7cc56)C3=O	1446
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3c4ccccc4C5(COc6cc7OCOc7cc56)C3=O	1447
+C(N(OC)C(C1=C(O)C(=O)N(C1)C)=O)c2cccc(F)c2	1448
+c1ccccc1C(NC(C2CCN(CC2)C)=O)C(NC3CCCC(N4c5cccc(Cl)c5-c6noc(c6C4=O)C)C3)=O	1449
+C1CC(CCN1C(=O)C(NC(C2CC2)=O)C)CCc3c(nc(C)nc3N)Cl	1450
+c1cc(ccc1)C2C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4c(cccc4)O2)CC#C	1451
+c1ccccc1C2C=CCC(NC(=O)C(NC(=O)C(O)CC(C)C)CC(C)C)C(=O)N2CCOC	1451
+c1cc(ccc1)C2C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4c(cccc4)O2)CC#C	1452
+c1cc(ccc1CC(C(=O)NC(CC2=CCCC2)C(=O)C3(CO3)C)NC(=O)C(NC(=O)Cc4sc(N)nc4)C)OC	1452
+FC(F)(F)CSCC(=O)NC1C2N(C(C(O)=O)=C(COC)CS2)C1=O	1453
+C1CC(CCC1)CC(C(NC2C(O)CN(CCC)C(CC2)C)=O)NC(=O)c3occc3	1454
+C1CCCCC1C(C(=O)NC(C(O)c2nc3c(cccc3)o2)CC)NC(=O)c4ccc(cc4)-c5c(Cl)cccc5	1455
+C1CSCCN1C2(CC2)C(=O)N3C(C(NC4(CC4)C#N)=O)CC(S(=O)(=O)c5ccccc5Cl)C3	1456
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(N)=O	1457
+CC(C)(C)OC(=O)NC(C(N)=O)Cc1ccc(cc1)S(=O)(=O)c2ccccc2	1458
+c1ccccc1CN(Cc2ccccc2)C3COC(C(N)=O)CC3	1459
+c1(ccccc1F)-c2ccccc2CC(N)=O	1460
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCOCC(=O)N	1460
+CN(C)C(N(CCO)CCCc1ccc(cc1)C#N)=O	1461
+FC(F)(F)c1nc(C2(CCN(CC2)C(Nc3nc4c(ncnc4OC)s3)=O)O)ccc1	1462
+C1N(CC1Oc2ccc(cc2)Cl)CC3C(CCCC3)NC(=O)Nc4nnc(s4)CC	1463
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	1463
+O=S(=O)(C)c1cccc(NC(=O)Nc2ccc(cc2)Oc3ccnc4cc(c(cc34)C#N)OCc5ccccc5)c1	1464
+C1COCCN1c2c(C#N)c(-c3c(cc(cc3)Cl)Cl)c(s2)C(=O)N	1465
+N1(CC(F)CC1C(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(=O)Cn4c5c(c(C(N)=O)n4)CCCC5	1466
+C1CC1Nc2nc3c(c(c(s3)C(N)=O)N)c(-c4cnccc4)n2	1467
+FC(F)(F)c1cc(-c2c(C(N)=O)cc([nH]2)-c3ccnc(n3)N)c(Cl)cc1	1468
+c1(cc2c(cc1)cccc2[N+]([O-])=O)C(=O)N	1469
+FC(F)(F)Oc1ccc(cc1)-n2nc(-c3ccc(cc3)CCCNC(=O)NC(Nc4ccccc4CC)=S)nc2	1470
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)NC(=S)N)Cl	1471
+C1(=C(N(N(C1=O)c2ccccc2F)C)C)N	1472
+c1ccccc1CN2C(CN)CN(c3ccccc3)CC2	1473
+c1cc(ccc1)CN2CC(CC2)CCN	1474
+c1cc(ccc1Br)NCCN2CCCC2	1475
+C(Oc1cccc(N)c1)CN	1476
+c1cc(CCN)ncc1Br	1477
+O=S(=O)(n1c2c(cc(cc2)CCN)c3cc(cnc13)Cl)c4ccccc4	1478
+O=S(=O)(n1c2c(cc(cc2)CCN)c3cc(cnc13)Cl)c4ccccc4	1479
+c1c(cc(c(c1)CCN)Cl)Br	1479
+c1(OC)cc(CCN)cc(Br)c1	1480
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN	1481
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)CN)ccc(c1)Br	1482
+C1CC(CCC1CN)C(OCCCC)=O	1483
+c1ccc2ccc3c4c(ccc1c24)ccc3COCCCCCN	1484
+CC(C)(C)OC(N1CCN(CC1)CCCN)=O	1485
+FC(F)(c1c(Cl)cc(Cl)cc1)CN	1485
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	1486
+c1cc(ccc1)COCCC(F)(F)CN	1487
+c1(cc(Oc2cc(c(cc2I)Cl)Cl)ncc1)OCCN	1488
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN	1489
+C1CC(CCC1CN)C(OCCCC)=O	1490
+C1CC(CCC1CN)C(OCCCC)=O	1491
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	1492
+c1c(c([N+]([O-])=O)ccc1)CCN	1493
+c1ccccc1COc2ccc(C(O)CN)c3SC(Nc23)=O	1493
+C1(C(OC(C1O)n2c3c(c(nc(N)n3)O)nc2)CN)O	1494
+C1(C(OC(C1O)n2c3c(c(nc(N)n3)O)nc2)CN)O	1495
+NCC1Cc2c(cccc2)C(N1)=O	1495
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCN	1495
+c1cc(ccc1)COC(N2CCCC(CN)C2)=O	1495
+c1cc(ccc1CCOC2OCCCC2)CCN	1495
+NCC1Cc2c(cccc2)C(N1)=O	1496
+O=S(=O)(c1cc(ccc1)F)c2ccc3CCC(Oc3c2)CN	1496
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCN	1496
+c1cc(ccc1)COC(N2CCCC(CN)C2)=O	1496
+c1cc(ccc1CCOC2OCCCC2)CCN	1496
+FC(F)(F)c1nccc(n1)N2CCC(CC2)CN	1497
+c12ccccc1c3c(cccc3)nc2CN	1498
+FC(F)(F)C1(ON=C(C1)c2cc(c(nc2)CN)Cl)c3cc(Cl)cc(Cl)c3	1499
+c1cc(ccc1-n2cnc(CN)c2)N3C=CC=CC3=O	1500
+FC(F)(F)c1ccc(cn1)-c2cc(ncc2Cl)CN	1501
+C(c1ccc2c(c(ccc2)O)n1)N	1502
+NCc1c2c(ccc1)cccn2	1503
+C(c1ccc2ncccc2c1)N	1504
+C1CCCC(n2c3cc(CN)ccc3cn2)O1	1505
+Clc1ccc(I)c(CN)c1	1506
+CC(C)(C)OC(COc1ccc(cc1)CN)=O	1507
+c1c(c(-c2nnsc2)ccc1)CN	1508
+c1c(c(-c2nnsc2)ccc1)CN	1509
+C1CCCCC1(c2ccc(cc2)CN)O	1510
+c1cc(ccc1OCCN2CCCC2)CN	1511
+C(c1ccc2ncccc2c1)N	1512
+c1cc(ccc1CN)Oc2c(cc(Br)cc2)Cl	1513
+c1cc(ccc1CN)-c2ocnc2	1514
+C(c1ccc2ncccc2c1)N	1515
+C1CC(CCN1c2c(Cl)cc(C=3c4c(cc(c(c4)OC)OC)C(N(C=3)CC)=O)cn2)C(C)(C)O	1516
+c1cc(ccc1F)-n2ncnc2-c3ccc(cc3)N=CN(C)C	1517
+FC(F)(F)c1ccc(cc1)C2c3c(cc(cc3)F)CCN2	1518
+NC=1C(NC(=O)N(CCCCC)C=1N)=O	1519
+C=1(N(C(=S)NC(C=1N)=O)c2cc(CC)ccc2)N	1520
+C(CC)N1C(C(N)=C(N)NC1=O)=O	1521
+NNC(c1cccc(c1)I)=O	1522
+c1cc(ccc1)-c2cc3c(ccc3)oc2CC(=O)NN	1523
+FC(F)(F)COc1c(C2CCCCC2)cc(C(NN(c3nnc(Cl)cc3)C)=O)cn1	1524
+FC(F)(F)c1cc(Oc2cc(C(=O)NN)ccc2)ccc1	1525
+c1c(-c2cncc(Nc3ccc(I)cc3F)c2C(NN)=O)c(ccc1)Cl	1526
+Clc1c(SCCCCl)c(ccc1)NN	1527
+FC(F)(F)C(NCCc1cc(ccc1)NN)=O	1527
+FC(F)(F)C(c1ccc(cc1)NN)O	1527
+c1cc(ccc1F)S(=O)(=O)c2ccc(cc2)NN	1527
+S(CCOc1ccccc1NN)C	1528
+c12OC(C)Cc1cccc2NN	1528
+c1cc(ccc1CCNc2cc(nc(n2)OC)-c3cccc(S(=O)(=O)N)c3)OC	1529
+c1c(C(CCCCCl)=O)cc(N)c2OCCc12	1530
+c1cc(ccc1-c2ncc(nc2)O)N	1530
+c1cc(ccc1N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl)N	1530
+C(CC1CCc2cc(N)ccc2O1)C#N	1531
+Fc1cc(cc(F)c1N2CCS(=O)(=O)CC2)N	1531
+OP(O)(c1cc(ccc1)N)=O	1531
+c1cc(ccn1)-c2c(F)c(N)ccc2F	1531
+c1ccccc1Oc2cc(N)c(O)cc2	1531
+c1ncncc1Oc2cc(cc(c2)Cl)N	1532
+Clc1c(c(F)ccc1N)Cl	1533
+Nc1ccc2CC3(c4ccccc4NC3=O)Cc2c1	1533
+FC(F)Oc1c(c(F)cc(c1F)C(OCC)=O)N	1534
+FC(F)(F)C(N1CCc2ccc(cc2CC1)N)=O	1535
+FC(F)(F)Oc1ccc(O)c(c1)N	1536
+FC(F)(F)c1ccc(N)c(O)c1	1536
+FC(F)(F)c1cnc(-c2c(c(O)c(cc2F)Cl)N)c(Cl)c1	1536
+C(c1cccc(F)c1)n2ncc3cc(ccc23)Nc4c5cc(ncc5ncn4)N	1537
+Nc1cc2c(ncnc2cn1)Nc3cc(Br)c(Br)cc3	1537
+CC(C)(C)OC(N1CCC(CC1)Nc2c3ccnc(c3ccc2)N)=O	1538
+c1ccccc1Nc2nn(cn2)-c3cc(N)ncc3	1538
+C1CCCCC1c2noc(c2)N	1539
+C1CCN(C1)c2nc3cc(ccn3n2)N	1540
+c1cc(ccc1S(=O)(=O)C)-c2cc(sc2-c3ccc(cc3)F)N	1541
+C1CCc2nc3c([n+]([O-])c4ccccc4c3n2OC1)N	1542
+C1CC(CCC1NS(=O)(=O)C(C)C)CNc2nc(cs2)-c3ccccn3	1543
+c1cc(ccc1F)Nc2nc(-c3ccc(cc3)F)cs2	1544
+c1ccccc1OCC(N2CCC(CC2)Cc3ccccc3)C(c4cc5sc(nc5cc4)N)O	1545
+CC(C)(c1cc(ccc1)C(=O)Nc2cccc(Oc3c(c4c(cc3)nc(s4)N)C#N)c2)C#N	1546
+c12c(cccc1)nc(N)c3nc4n(OCCCC4)c23	1547
+c12c(cccc1)nc(N)c3nc4n(OCCCC4)c23	1548
+Nc1sc2c(cc(nc2Br)Br)n1	1549
+c1ccccc1C(c2cc(ccc2F)-c3ccnc(n3)N)O	1550
+n1n2c(c(O)ccc2)nc1N	1551
+n1n2c(c(O)ccc2)nc1N	1552
+c1ccccc1-c2cc3c(N)n[nH]c3nc2	1553
+c1(c(Br)cccc1N2N=C(C(=O)C)C(=O)C(=C2)OC)F	1554
+c1(c(Br)cccc1N2N=C(C(=O)C)C(=O)C(=C2)OC)F	1555
+FC1(F)Oc2c(cccc2N3N=C(C(C)=O)C(=O)C(OC)=C3)O1	1556
+FC1(F)Oc2c(cccc2N3N=C(C(C)=O)C(=O)C(OC)=C3)O1	1557
+CN(C)C=CC(C=1C(=O)C(=CN(N=1)c2cccc3c2OC(F)(F)O3)OC)=O	1558
+Fc1c(F)cn(c1)-c2cc(c(N3C=C(OC)C(C(=N3)C(N(C)OC)=O)=O)cc2)OCc4ccccc4	1559
+FC1(F)Oc2c(cccc2N3N=C(C(=O)C(=C3)OC)C(N(C)OC)=O)O1	1560
+O=C(OCC)C(=NOCCC)c1csc(N)n1	1561
+c1(c(Br)cccc1N2N=C(C(N(OC)C)=O)C(=O)C(=C2)OC)F	1562
+C1CC(CCC1C(=N)NO)C(OC)=O	1563
+C1(N(C(SC)=NC)CCOC1)c2noc(-c3cc(Cl)ccc3)c2	1564
+o1c(-c2csc(c2)Cl)cc(C3N(C(SC)=NC)C4CC4C3)n1	1565
+o1c(-c2csc(c2)Cl)cc(C3N(C(SC)=NC)C4CC4C3)n1	1566
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)C(NO)=N	1567
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1568
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1569
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1570
+c1cc(ccc1CCC2NC(OC2)=N)NS(=O)(=O)c3cccc4cnccc34	1571
+O=S(=O)(O)N1C(=O)C(C1COC(=O)N)NC(=O)C(=NOCCN=[N+]=[N-])c2nc(sc2)N	1572
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(C(=NOCCC)c4nc(sc4)N)=O)=O	1572
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(=O)C(=NOCC(=O)OCC)c4nc(NC=O)sc4)=O	1573
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(C(=NOCCC)c4nc(sc4)N)=O)=O	1573
+CC(C)(C)[Si](C)(C)OCc1c(nc(Cl)nc1)Nc2n[nH]c(C3CC3)c2	1574
+OB(O)c1cc2ccc(Cl)cc2cc1	1575
+c1ccccc1C#Cc2ccc(cc2)B(O)OC	1576
+CC1(C)C(C)(C)OB(O1)c2c(cc(CC(OC)=O)cc2)F	1577
+CC1(C)OB(OC1(C)C)c2c(F)cc3OCCCc3c2	1578
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3CCC(CC3)O	1579
+FC(F)(F)c1c(C(C(OCC)C(OC)=O)O)ccc(OCc2ccccc2)c1	1580
+C1CC(CCC1O)Oc2cc3CCC(Oc3cc2)c4ccccc4	1581
+C1CC(CCC1c2cccc(F)c2)O	1581
+C1CC(CCC1c2nc(ccc2F)C(OC)=O)O	1581
+C1C(CC1)(C(O)CN2CCCCC2)c3ccccc3	1582
+FC(F)(F)c1cc2ncc(c(OCCCCCOC=3C(=O)C=C(OC=3)CN4CCN(CC4)C)c2cc1)C(=O)OCC	1583
+c1cc(ccc1)COc2ccc(c(OCC(c3ccccc3)O)c2)OCc4ccccc4	1584
+CC(C)(C)OC(=O)N1CC(C(O)c2cc(cc(c2)Cl)F)CCC1	1585
+CC(C)(C)OC(=O)N1CC(C(O)c2cc(cc(c2)Cl)F)CCC1	1586
+c1ccccc1CN(Cc2ccccc2)c3nccc4cc([nH]c34)C(O)c5ccccc5	1587
+c1ccccc1CN(Cc2ccccc2)c3nccc4cc([nH]c34)C(O)c5ccccc5	1588
+FC(F)(F)C(c1ccc(Br)cc1-c2ccccc2)O	1589
+FC(F)(F)C(c1ccc(Br)cc1-c2ccccc2)O	1590
+CCOC(=O)C(C(=O)OCC)C(=O)c1c(F)c(OC(F)F)c(c(F)c1)F	1591
+CC(C)(C(OCC)=O)Oc1ccc(cc1)CCCC(=O)O	1592
+CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1CCC(=O)NCCOc2ccc(cc2)Cl	1592
+c1cc(ccc1OCC2(CC(C)C)Oc3c(c(C)c(OC(C)=O)c(C)c3C(=O)C2)C)CC(C(=O)OCC)Cl	1593
+CC(C)C(Oc1cccc2c1cc(C)n2Cc3ccccc3)C(=O)OCC	1594
+C1CC1NC=C(C(=O)c2c(cc(c(c2)F)C=3CCN(CC=3)C(C)=O)F)C(=O)OCC	1595
+O=C(OCC)C(=Cc1cc(c(cc1)-n2cc(nc2)C)OC)CCCCl	1596
+C1CC(CCC12OCCO2)CC(=O)OC	1597
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1598
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1599
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1600
+N1(C(=O)C)c2cc(C)cc(C)c2C(CCC(=O)O)C1	1601
+c1ccccc1CC(C(OCC)=O)NC(Cn2c3c(cc2)cc(cc3)[N+](=O)[O-])=O	1602
+C1CCCCC1C(C2CCCCC2)CC(=O)NCC(OC(C)(C)C)=O	1603
+FC(F)(F)C1(CCC(CC1)(C(OC)=O)NC(Cc2cc(ccc2C)-c3ccc(cc3)Cl)=O)OC	1604
+c1ccccc1COC(=O)N2CCCC2(Cc3ccccc3)C(NC(C(OC)=O)C(C)O)=O	1605
+CC(C)CC(C(=O)OC)NC(=O)c1c(cc([N+]([O-])=O)cc1)-c2c(C)cccc2	1606
+c1cc(ccc1N2C(c3c(c(ccc3)C)C2=O)=O)CC(C(OCC)=O)NC(=O)c4c(cc(cc4Cl)-c5[nH]nnn5)Cl	1606
+CC(C)(C)OC(=O)CNC(c1cc(Cl)c(cc1)NC(=O)OCc2ccccc2)=O	1607
+CC(C)(C)OC(=O)CNc1ccc(cc1OCc2ccccc2)I	1608
+c1cc(ccc1-c2c3c(n(C)c(-c4ccccc4)c3C)ccc2)OCC(=O)OC	1609
+c1ccccc1Cn2c(cc3c2cccc3OCC(OC)=O)C	1609
+c1ccccc1-c2cn(Cc3cc4c(cc3)cc(cc4)OCc5ccccc5)cc2C=CC(OCC)=O	1610
+c1ccccc1-c2cn(Cc3cc4c(cc3)cc(cc4)OCc5ccccc5)cc2C=CC(OCC)=O	1611
+COc1c(OC)c(cc2cc(ccc12)C=CC(OCC)=O)OC	1612
+COc1c(OC)c(cc2cc(ccc12)C=CC(OCC)=O)OC	1613
+FC(F)(F)C(=O)N(C1CCN(CC1)C(=O)OC2(CC2)C)C3CC3	1614
+C1CN(CCN1c2scc(-c3ccccc3F)n2)C(OCC(C)C)=O	1615
+C1CC(CCN1C(OC(C)C)=O)N2CCC(CC2)N3C4CCCCC4OCC3=O	1616
+C1CC(CCN1C(OCCC)=O)Nc2ncc(C(c3ccccc3OC)=O)c(n2)N	1616
+C1CN(CCC1C(=O)OCC)C2CC3(C2)CCN(C(OCC)=O)C3	1616
+CC(C)COC(=O)N(C1CN(C(C2CCN(CC2)c3ccc(C#N)cn3)=O)CC1c4ccc(cc4)Cl)C	1616
+C1CC1NC(Nc2ccc(cc2)-c3nc(N4C(COCC4)C)c5CN(Cc5n3)C(OC)=O)=O	1617
+C1CN(CCC1(c2c(cccc2)C)CNC(=O)OCC)C(=O)OCC	1618
+CC(C)(C)OC(=O)N1CC(CCC1)C(c2cc(Cl)cc(c2)F)OCCNC(=O)OC	1619
+c1cc(ccc1)S(=O)(=O)n2ccc3c4n(C5CC(NC(=O)OC)CC5)nnc4cnc23	1620
+c1cc(ccc1Br)N2CCC(CC2)NC(=O)OCC	1620
+C(CC1CCc2cc(ccc2O1)NC(OCC)=O)C#N	1621
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)NC(=O)OCC(C)C)F	1621
+C(CC1CCc2cc(ccc2O1)NC(OCC)=O)C#N	1622
+C1CC1(C(OCC)=O)Oc2cc(NC(OCC)=O)c(F)cc2Cl	1622
+CC(C)OC(Nc1cc(-c2[nH]c3ncc(cc3n2)Br)c(Cl)cc1)=O	1623
+N#Cc1ccc2cc(cc(-c3c4ccccc4ccc3)c2n1)NC(=O)OCC	1623
+N(c1ccc(C)c(c1)C(=O)c2ccc(Nc3c(F)cc(F)cc3)cc2Cl)C(=O)OCC	1623
+O(C(Nc1cccc(NC(C=C(OC)C)=O)c1)=O)CCC	1623
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)NC(=O)OCC(C)C)F	1623
+C1CCCCC1COc2c3nc(c(n3cc(C)c2)C(OCC)=O)C	1624
+c1(cnc2cc(ccc2c1Cl)F)C(=O)OCC	1625
+N1(Cc2cc(C(OCC)=O)sc2CC1)C(OCC)=O	1626
+Clc1ccc2cc(C(=O)OCC)[nH]c2c1	1627
+c1cc(ccc1-c2cc(C(=O)OCC)nn2CC(C)C)Br	1628
+CC(C)c1onc(c1)C(=O)OCC	1629
+c1cc(ccc1)CN2C(CN3C(C(Oc4cc(OC)cc(c4)OC)C3(c5cc(ccc25)Cl)c6ccccc6)=O)=O	1630
+C1CN(CCC12NC(C(c3c(ccc(c3)C)C)=C2O)=O)OC	1631
+C1CCCC1CC(C(OC)=O)N2C(C=C(Oc3c(C)ccc(C)c3C)C=N2)=O	1632
+C1CCCC1CC(C(OC)=O)N2C(C=C(Oc3c(C)ccc(C)c3C)C=N2)=O	1633
+FC(F)(c1ncccc1)CO	1634
+C1CC(CCC1C2CCC(CC2)CCC)CCCO	1635
+Fc1cccc(F)c1CCCO	1636
+O(CCO)CCc1cccc2ccccc12	1637
+FC(F)(F)c1cc(Oc2ccc(cc2)CCO)ccc1Cl	1638
+C(COCc1nccs1)O	1639
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)CO	1639
+Clc1ccc(c(Cl)c1)CNC(c2c(nn(CCO)c2)OCC)=O	1640
+C(O)CCc1ncsc1	1641
+C(CCCc1cc(c(cc1)Cl)Cl)O	1642
+c1c(ccc(-c2oncc2CCCO)c1F)F	1643
+c1c(ccc(-c2oncc2CCCO)c1F)F	1644
+O(COC)Cc1c(cc(c(c1OC)OC)OC)[N+](=O)[O-]	1645
+c1cc(ccc1)C(Oc2cc(Cl)c(OCOC)c(C)c2)=O	1646
+c12-c3ccccc3NC(=S)n1nc(CO)c2	1647
+n1c(ccc2ncccc12)CO	1648
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)CO	1649
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)CO	1650
+Clc1cccc(c1)-c2onc(CO)c2	1651
+Clc1cccc(c1)-c2onc(CO)c2	1652
+c1cc(ccc1Oc2ccccn2)CO	1653
+C1CC1(C(=O)Nc2ccc(CO)c(Br)c2)c3cc4OCOc4cc3	1654
+C1CN2CCC1C(C(CCc3ccc(cc3)CO)(O)c4ccccc4)C2	1654
+c1(cc(CO)c(cc1Br)O)F	1654
+c1ccccc1CN(Cc2ccccc2)c3cccc(c3CO)[N+]([O-])=O	1655
+C(O)c1c(F)ccc(Br)c1F	1656
+CC(C)(C)c1c(c(C=Cc2ccc(cc2CO)NS(=O)(=O)C)cc(c1)N3C(=O)NC(C=C3)=O)OC	1657
+c1ccccc1-c2c(ccc(c2)Br)CO	1657
+c1cc(ccc1CN(C(=O)CC(C(=O)NS(=O)(=O)C2CC2)=O)OC)F	1658
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COCC(N(OC)C)=O)c4	1659
+C1CC(CCO1)Nc2n3c(nc(N4CCCC4)c2)cc(C(=O)N(C)OC)n3	1660
+CC1(C)OC(C(O1)=O)=CC(=O)N(OC)Cc2cc(F)ccc2	1661
+Clc1cc(cc(Cl)c1CCC(NOC)C)Cl	1662
+c1cc(ccc1)CC(NC(c2c(-n3cc4ccccc4n3)nccc2)=O)C(O)C(=O)NOCC	1663
+c1c(I)cc(c(Nc2c(C(NOCC(O)C)=O)ccc3cncn23)c1)F	1664
+c1c(cc(c(Nc2c(c3c(cc2C(NOCCOC=C)=O)n(cn3)C)Cl)c1)Cl)Br	1665
+Clc1cc(cc(Cl)c1CCCNOC)Cl	1666
+c1cc(ccc1CNOC)OC	1667
+C1(=NO)c2c(c(F)ccc2)OCC1	1668
+FC(F)(F)COc1cc(c(C(CBr)=NOC)nc1)Cl	1669
+c1c(F)c(c(cc1)F)C(=NO)Cl	1670
+c1(cc(cc(Cl)c1CCC=NOC)Cl)Cl	1671
+CC(C)(NC(C(SC)Oc1ccc2c(cc(Br)cn2)c1)=O)C=NOCCCC	1672
+c1ccccc1[Si](c2ccccc2)(N3C(CC3C=NOC)=O)C(C)(C)C	1672
+c1c([N+]([O-])=O)c(cc(c1)C(=O)OC)C=NOC	1673
+O=Cc1c(O)c(c(cc1)Br)F	1674
+CC(C)N1C(=O)c2cc(ccc2C(=N1)Br)O	1675
+O(c1ccnc(O)c1)C	1676
+FC(F)Oc1c(O)nccc1	1677
+Cc1c(c(c(cc1)C)Oc2cnnc(O)c2)C	1678
+c1cc(ccc1Cn2c3cccc(O)c3c4cccc(C)c24)F	1679
+FC(F)(F)c1cccc(-c2c(O)nc3ccc(cc3c2O)Br)c1	1680
+FC(F)(F)c1cccc(-c2c(O)nc3ccc(cc3c2O)Br)c1	1681
+c1cc2c(c(ncn2)O)nc1Cl	1682
+C(C)OP(OCC)(=O)COCCCOn1c2c(nc1)c(nc(NC=O)n2)Cl	1683
+c1cc(ccc1)C(c2ccccc2)N3C(=O)C(c4ccc(OCc5ccccc5)cc4O)c6c3cccc6	1684
+c1ccccc1-c2nn3ccccc3c2C=4C=CC(N(C5CC(=O)CCC5)N=4)=O	1685
+O=C(Cc1cc(c(-c2ccc(cc2F)F)cc1)F)Cl	1686
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(=O)Cl	1687
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)OCC(Cl)=O	1688
+c1ccccc1COCC(=O)N2CCCN(c3c(Cl)cc(Cl)cc3)CC2	1689
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc3ccccc23)NC4CCN(C(=O)Cc5ccccc5)C4	1690
+C1CN(CCC1)S(=O)(=O)c2ccc(c(COCC(=O)N3CCCC3)c2)Cl	1691
+C1CN(CCC1c2ccccc2)C(=O)C3C4(c5ccccc5CCC4)CN(C3)Cc6ccccc6	1692
+C1C(CC1)C(=O)N2CC(c3c4cccc5CCCn(c3)c45)C(c6c7c(cccc7)[nH]c6)C2	1693
+C1C(CC1)C(N2CC(Nc3c(cnc(-c4c[nH]c5ncc(cc45)Cl)n3)F)CCC2)=O	1693
+c1cc(ccc1)C2(c3ccccc3)CCN(C(CN4CCCC(c5ccc(cc5)F)(c6ccc(cc6)F)C4=O)=O)C2	1694
+c1nc(ncc1)N2CCN(CC2)C(Cn3c(Br)nc(Br)c3Br)=O	1695
+C1CN(CCN1C(CC2CC2)=O)S(=O)(=O)c3cccc4ccccc34	1696
+c1cc(ccc1)C2(c3ccccc3)CCN(C(CN4CCCC(c5ccc(cc5)F)(c6ccc(cc6)F)C4=O)=O)C2	1697
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2c3c(cccc3)c(cc2)CNC(=O)CC(F)(F)F	1698
+c12c(cccc1)nc(c3c2cccc3)CNC(=O)CCl	1699
+c1ccccc1CNC(COc2ccc(cc2)-c3c(c(CN4C(=O)CCC4=O)nc5c3c6CCS(=O)Cc6s5)Cl)=O	1700
+C1CC(CCO1)CNC(=O)Cc2csc(-c3c(n(C4CCCCC4)nc3)-c5ccc(cc5)F)n2	1701
+c1cc(c(c2C(C(=O)Nc12)=NNC(=O)Cc3ccc(c(Cl)c3)O)Cl)C(=O)O	1702
+c1ccccc1-c2ccc(cc2)OCCCC(=O)NO	1703
+c1(ccc(cc1Cl)NCC(=O)NO)Cl	1704
+FC(F)(F)C(N1CCc2cc(NC(=O)CCN3CCN(CC3)Cc4ccccc4)ccc2CC1)=O	1705
+c12nc(NC(=O)CN3C(N(c4c3cccc4)c5ccccn5)=O)ccc1CC6(c7cccnc7NC6=O)C2	1706
+c1ccccc1C2CCCN(C2=O)CC(=O)Nc3ccc(cn3)Cl	1707
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(=O)Nc4[nH]nnn4)c1	1708
+c1(c(sc(n1)NC(CCl)=O)C(=O)c2ccccn2)-c3occc3	1709
+C1CN(CCO1)C(COc2cc(ccc2)NC(=O)CCl)=O	1710
+c1c(F)c(c(cc1N2CCOCC2)F)NC(CC3CCC=C3)=O	1711
+c1cnccc1SCC(Nc2cccc(c2)-c3n4ncc(C(c5sccc5)=O)c4ncc3)=O	1711
+c1cc(ccc1-c2ccc(cc2)S(=O)(=O)OCC(Nc3cc(c(C(=O)O)cc3)O)=O)Cl	1712
+c12c(-c3c(c4c(cccc4)c(n3)O)C1)ccc(NC(=O)CCl)c2	1713
+c1cccnc1N2C(N(CC(Nc3cc4c(CC5(c6cccnc6NC5=O)C4)cc3)=O)CC2)=O	1714
+FC(F)(F)C(N1CCc2cc(NC(=O)CCN3CCN(CC3)Cc4ccccc4)ccc2CC1)=O	1715
+c1c(ccc(-c2oncc2CCC(OC)=O)c1F)F	1716
+C1CCCC1(c2cc(c(Cl)cc2)Cl)C(=O)CBr	1717
+CC(C)(C)OC(CC1(CC2c3c(C1CC2)cccc3)O)=O	1718
+CC(C)(C)OC(=O)Nc1c(NC(CC(=O)c2cccc(c2)-n3cncc3)=O)cc(C#Cc4ccc(cc4)F)cc1	1719
+Clc1cc(F)c(cc1)C(CC(OCC)=O)=O	1720
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N(C2CC2)C3CCN(CC3)C(CCN4CCC(CC4)O)=O	1721
+Fc1cccc(F)c1CCC(OCC)=O	1722
+c1c(ccc(-c2oncc2CCC(OCC)=O)c1F)F	1723
+c1cc(ccc1C2CN(CC(=O)N3CCNC(=O)C3)C(=O)C2)Cl	1724
+C1NCCN(CCNCCNC1)CC(=O)NCc2nc3c(c4ccccc24)cccc3	1725
+c1cc(ccc1)N2CCN(CC2)CC(=O)Nc3cccc(-c4cnc5c(n4)cccc5)c3	1726
+c1cc(ccc1C2(c3ccc(cc3)F)CCCN(C2=O)CC(=O)OCC)F	1727
+FC(F)(F)CNC(CNC(=O)c1sc(C2=NOC(C(F)(F)F)(C2)c3cc(Cl)c(c(Cl)c3)F)c4c1CCC4)=O	1728
+c1cc(ccc1)NCC(Nc2c(ccc(Cl)c2)C(=O)O)=O	1729
+FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)Br)ccc1Cl	1730
+C1CCCCC1n2ncc(c2-c3ccc(cc3)F)-c4scc(CC(=O)OCC)n4	1731
+C1CCCCC1n2ncc(c2-c3ccc(cc3)F)-c4scc(CC(=O)OCC)n4	1732
+O=S(=O)(NCc1cnccc1)c2cccc(c2)C=CC(Cl)=O	1733
+c1cc(ccc1)C=CS(=O)(=O)Nc2cc(ccc2)C=CC(NO)=O	1734
+c1c(cc(cc1)C=CC(=O)NO)NC(C=Cc2cc3OCOc3cc2)=O	1735
+c1ccccc1CS(=O)(=O)n2cc(C=CC(=O)NOC3OCCCC3)cc2	1736
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(NOC3OCCCC3)=O)=O	1737
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)NO	1738
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)NO	1739
+c1cc(ccc1)C=CC(=O)Nc2c(CCN3CCN(CC3)c4nsc5c4cccc5)cccc2	1740
+c1cc(ccc1CC(C=[N+]=[N-])=O)I	1741
+n1c(Br)ccc(c1)C2N(c3c(Cl)cccc3)N=C(C2)C(=O)Cl	1742
+c1cc(ccc1Cl)Sc2ccc(cc2)CCC(=O)Cl	1743
+c1ccccc1Oc2nccc(n2)C(=O)Cl	1744
+Clc1cc(cc(Cl)c1CN2CCC3(CCCCC3)C2=O)OCc4ccccc4	1745
+c1c(Cl)c(c(cc1Br)Cl)CN2CCC3(CCCCC3)C2=O	1746
+c1cc(ccc1CC(=O)N2C(CCC2)C(=O)Nc3ccc(cc3)Cl)N4CCOCC4=O	1747
+C1CN(CCN1c2ncnc(-c3ccc(cc3)F)c2)C(Nc4cnccc4)=O	1748
+C1CC1NC(=O)C(=O)C(Cc2ccccc2)NC(c3cccnc3-n4cc5ccccc5n4)=O	1749
+c1ccccc1CC(NC(C2N(C(=O)CC2)Cc3ccccc3)=O)C(=O)C(NCc4ccccn4)=O	1749
+C1CC1NC(=O)C(=O)C(Cc2ccccc2)NC(c3cccnc3-n4cc5ccccc5n4)=O	1750
+c1ccccc1CC(NC(C2N(C(=O)CC2)Cc3ccccc3)=O)C(=O)C(NCc4ccccn4)=O	1750
+FC(F)(F)c1cc2scc(N3CCN(CC3)CCC4(CC4)C(=O)NCCCn5ccnc5)c2cc1	1751
+c1cc(ccc1)CC(C(C(NC2CC2)=O)O)NC(c3c(-n4cc5ccccc5n4)nccc3)=O	1752
+c1ccccc1CN2C(CCC2=O)C(NC(Cc3ccccc3)C(C(NCc4ncccc4)=O)O)=O	1752
+C1CC1(C(=O)NC(CO)c2cc(Cl)ccc2)Nc3nc(ncc3Cl)Cl	1753
+CC(C)(C)OC(N1C(CC(C1)F)C(=O)NCc2ncc(c(-c3ccc(nc3)C(F)(F)F)c2)Cl)=O	1754
+FC(F)(F)c1cc(Oc2cc(ccc2)CN(C(NC3CCCCC3)=O)CCN4CCCCC4)ccc1	1755
+C1CN(CCO1)CCNC(=O)Nc2ccc3c(c2)ccc(n3)NC4CCc5c4cccc5	1756
+c1cc(ccc1NC(=O)NCCCl)-c2nc3n(ncc3)c(NCc4c(cc(cc4)Cl)Cl)c2	1757
+c1cc(ccc1)OC(NC2CC(CN(C2)C(=O)c3cccc(-c4occc4)c3)C(Nc5ccc(cc5)Cl)=O)=O	1758
+c1cc(ccc1)C(c2ccccc2)NC(c3c(O)nc(COCc4ccccc4)nc3)=O	1759
+c1cc(ccc1F)-n2ccc(n2)C(NC3CCN(c4nccn5c4nnc5)C3)=O	1760
+c1ccccc1COc2c(c(cc(OCc3ccccc3)c2)Oc4ccc(cc4)[N+]([O-])=O)-c5onc(C(=O)NCCF)c5	1760
+c1ccccc1-n2cnc(n2)C(NC3CN(c4nccn5ccnc45)CC3)=O	1761
+c1c2c(cc(c1)Cl)c(c[nH]2)CCNC(=O)c3noc(Cc4cccc(Cl)c4)n3	1762
+FC(F)(F)CNC(=O)c1ccc(cc1)C=O	1763
+FC(F)(F)c1cc(c(C(=O)NC2C(N)CCCC2)cc1)C3CC3	1764
+c1c(Cl)c(c(cc1)Cl)Cc2n(c3ccccc3n2)Cc4ccc(cc4)C(NCCCN5CCOCC5)=O	1764
+c1ccccc1CNC(c2cc(N3NC=C(C3=O)c4cccnc4)ncc2)=O	1765
+FC(F)(F)c1cc(C(NC2C(CN(CCNc3ncccn3)CC2)O)=O)ccc1	1766
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)Cl	1767
+C1CCCCN1S(=O)(=O)c2ccc(cc2)CNC(=O)c3ccn4nccc4c3	1768
+c1cc(ccc1N2C=CC=CC2=O)-n3cc(CNC(c4ccc5c(cc[nH]5)c4)=O)nc3	1769
+C1CCCC1(NC(=O)c2ccc3c(c2OCC4Oc5ccccc5OC4)cccc3)C(=O)OC	1770
+C1CN(CCC1CNC(=O)C2CCCCC2)S(=O)(=O)c3c4c(ccc3)cccc4	1771
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)Cl	1772
+C1CCCCN1S(=O)(=O)c2ccc(cc2)CNC(=O)c3ccn4nccc4c3	1773
+C1CSCCN1c2ncc(cc2)CNC(c3ccc(cc3)-c4cc(F)ccc4)=O	1774
+c1c(cc(c(Nc2c(C(NOCCOC=C)=O)ccc3cncn23)c1)F)Br	1775
+C1CC(CCC1(F)F)Oc2cc(c(C(=O)NS(=O)(=O)N3CCC3)cc2C4CC4)F	1776
+c1cc(ccc1)C2C(N3C(C4N(CCN(C4)C(Nc5n(-c6ccccc6)ncc5)=O)C3=O)=O)C2	1777
+c1ccccc1C(c2ccccc2)C(Nc3c(nc(COCc4ccccc4)nc3)O)=O	1778
+c1c(C(=O)Nc2c(ncnc2Cl)Nc3ccnc(Cl)c3)cc(F)cc1	1779
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC4OC(C)(C)OC4)n3	1780
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC4OC(C)(C)OC4)n3	1781
+c1cnccc1-c2ccc(cc2)C(C(Nc3ncccc3)=O)CC4CCCC4	1781
+CC(C)(C)OC(N1CCN(CC1)C(=O)Nc2noc3c2cccc3)=O	1782
+C1CC(CCO1)OC(c2cc(c(cc2)Cl)Cl)C(=O)Nc3sccn3	1783
+C1CCCCC1(C#Cc2ccc(cc2)C(C(=O)Nc3sccn3)CC4CCCC4)O	1783
+c1cc(ccc1C#Cc2ncccc2)C(C(=O)Nc3sccn3)CC4CCCC4	1783
+c1ccccc1COc2ccc(cc2)C(C(=O)Nc3sccn3)CC4CCCC4	1783
+c1cc(ccc1[N+](=O)[O-])C(=O)Nc2scc(COc3ccc(cc3)CCCCn4ccnn4)n2	1784
+C1CC1C(Nc2cc(ccc2)-c3ccc(nn3)N4CCN(CC4)C5CC5)=O	1785
+FC(F)(F)c1cc(cc(c1)NC(=O)C2CC2)-c3cnco3	1786
+C1CC1C(C(Nc2ccc(cc2)Cl)=O)Oc3c4c(cccc4)ccc3	1787
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(Nc4c(F)cc(cc4)F)=O)C5CCCCC5	1787
+FC(F)(F)c1cccc(CC(=O)Nc2ccc(Br)cc2C(=O)OC)c1	1788
+FC(F)(F)c1ccc(cc1)C2c3ccc(F)cc3CCN2C(=O)Nc4ccc(cc4)F	1789
+FC(F)(F)c1ccc(cc1)C2c3ccc(F)cc3CCN2C(=O)Nc4ccc(cc4)F	1790
+C1CN(CCN1)C(=O)Nc2cc(Cl)c(Cl)cc2	1791
+FC(F)(F)c1ccc(cc1)C2c3ccc(F)cc3CCN2C(=O)Nc4ccc(cc4)F	1792
+FC(F)(F)c1ccc(c(O)c1)NC(Nc2ccccc2)=O	1793
+CC(C)(C)OC(N1CC(c2ccc(cc2)NC(OC3CCC(F)(F)CC3)=O)CC1)=O	1794
+c1cc(ccc1)COC(=O)Nc2ccc(c(c2)F)-n3nc(cc3)-c4ccccn4	1795
+c1cc(ccc1)CN2CCN(CC2)c3ccc4c(C(OC(=O)N4)=O)c3	1796
+C(Oc1noc(C(Nc2cc(Cl)c(F)cc2)=O)c1)CCBr	1797
+FC(F)(F)C(c1c(cccc1)NC(c2occc2)=O)O	1798
+c1ccccc1NC(c2cnc(cn2)N3CC(C3)Oc4cc(ccc4Br)F)=O	1799
+FC(F)(F)c1cc(NC(=O)c2ccncc2)c(N3c4c(cccc4)CC3)cc1	1800
+c1cc(ccc1C2CCC(CC2)C(OC(C)C)=O)NC(c3cc(Cl)c(Cl)cc3)=O	1800
+c1(c(ccnc1Cl)NC(=O)c2c(Cl)cccc2F)F	1801
+c1ncncc1Oc2cc(NC(c3cccc(Cl)c3)=O)cc(c2)Cl	1801
+Clc1cc(cc(Cl)c1C(=O)Nc2cc(Cl)ncc2F)Cl	1802
+c1cc(ccc1NC(=O)c2c(F)cc(F)cc2)C(=O)N3Cc4c(Cc5ccccc35)cccc4	1803
+c1ccccc1NC(=O)c2cccc(-c3ccnc4n3ncc4C(c5sccc5)=O)c2	1804
+FC(F)(F)Oc1cc(c(O)cc1)NC(=O)c2c(cncc2)Cl	1805
+c1ccccc1COc2ccc(Cl)cc2Cn3cc(NC(c4c(Cl)cccc4F)=O)cn3	1806
+FC(F)(F)c1c(c(-c2nc(sc2)NC(=O)c3ccc(cc3)Nc4ccccn4)ccc1)F	1807
+c1cc(ccc1)COC=2C(C=C(CNS(=O)(=O)c3ccccc3Cl)OC=2C(=O)O)=O	1808
+c1ccccc1-c2ccc(cc2)-c3c(CCC(OCC)=O)con3	1809
+c1cc(ccc1)C(c2ccccc2)CC(N3CCN(CC3)CC(=O)OCC)=O	1810
+O=C(CNC(=O)C=1C(=O)N(Cc2c(F)cccc2)n3cccc3C=1O)O	1811
+c1cc(ccc1C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5)COCC(=O)OCC	1812
+c1cc(ccc1C(=O)c2cc(CC(=O)O)ccc2)Cl	1813
+c1cc(ccc1C(=O)c2cc(CC(=O)O)ccc2)Cl	1814
+C(c1ccc(Cl)c(c1)C(=O)O)C(=O)O	1815
+c1cc(ccc1)-c2c3c(no2)cc(cc3)CC(=O)O	1815
+c1cc(ccc1)-c2c3c(no2)cc(cc3)CC(=O)O	1816
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCC(=O)O	1817
+C1CN(CCN1C(=O)ON2C(CCC2=O)=O)Cc3ccc(Cl)cc3N4Cc5ncnn5CC4	1818
+c1cc(ccc1)COc2cccc(-c3nc(C(OCC)=O)cs3)c2OCc4ccccc4	1819
+c1cc(-c2cc3c(c(C(=O)NCC(=O)OCC)c2O)ncc(n3)-c4sccc4)cc(F)c1F	1820
+CC(C)(C)OC(=O)N1CC(CCC1)C(=O)c2cc(cc(Cl)c2)F	1821
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3ncc(-c4ncccc4)cc3	1822
+FC(F)(F)CCCOc1ccc(cc1)C(=O)C(F)(F)F	1823
+C1CN(CCN1c2cc(c(OCCCN3CCCCC3)cc2)F)C(=O)c4ccccc4	1824
+FC(F)(F)C(=O)N(Cc1ccnc2ccccc12)C3CC(Cc4ccccc4)N(CC3)C(=O)c5c(cccc5Cl)Cl	1824
+c1cc(ccc1)C(=O)N2CCN(CC2)C3(Cc4cccc(Cl)c4)c5ccc(cc5NC3=O)Cl	1824
+C1N(CC1N2CCN(CC2)C(=O)c3sccn3)C(=O)c4cc5CCN(c6ccc(cc6)F)c5cc4	1825
+FC(F)(F)c1ccc(cc1)NS(=O)(=O)c2cccc(C(=O)N3CCN4CCCCC4C3)c2	1826
+CC(C)(C)OC(N(c1ccncc1)CCOc2cc(cc(c2)Cl)C(=O)N(c3cccc(c3)F)CCCn4ncnn4)=O	1827
+C(c1ccc(O)c([N+]([O-])=O)c1)(N2CCOc3ccccc23)=O	1828
+C(c1ccc(O)c([N+]([O-])=O)c1)(N2CCOc3ccccc23)=O	1829
+c1(cc(cc(Br)c1O)C(N2c3c(nccc3)OCC2)=O)Br	1830
+c1c(F)cc(cc1C(=O)c2cc(c(F)cc2)C#N)F	1831
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)C(=O)OCC	1832
+Clc1cccc(c1)-c2onc(c2)C(=O)OCC	1833
+c1cc(ccc1)COc2cc(cc(Oc3ccc(cc3)[N+]([O-])=O)c2-c4onc(C(OCC)=O)c4)OCc5ccccc5	1834
+c1c(-c2ccc3OCOc3c2)ccc4C5C(=O)N(c6ncccc6)N=C5CCc14	1835
+O=S(=O)(C)c1ccc(C(C2C=NN(C2=O)CC)=O)c(C)c1OCCOC	1836
+c1cc(ccc1Cl)OCc2ccc(cc2)CNC3=C(Nc4ccncc4)C(=O)C3=O	1837
+FC(F)(F)c1ccc(cc1)CN2CCC(Br)C2=O	1838
+C1(=O)COCC(c2cc(ccc2)Br)(CO)N1	1839
+c1cc(ccc1)C2COCC(N2)=O	1839
+CC(C)(N1C(c2c(Cl)c(ccc2C1=O)F)O)c3ccccc3	1840
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)C3=NOC(N3)=O)OCC=C(Cl)Cl)Cl	1841
+N1C(C(c2c3c4n(c2)CCc4ccc3)=C(C1=O)c5c[nH]c6ccccc56)=O	1842
+c1cc(ccc1-c2cc(n3nccc3n2)NCc4c(cc(cc4)Cl)Cl)N5CCNC5=O	1843
+c1cc(ccc1NC(=O)C)N2CCNC2=O	1843
+C1CN(CCC1N2C(Nc3cc(Cl)ccc23)=O)C(=O)OCC	1844
+c1c(cc2c(C(=O)C(=O)N2)c1)Br	1845
+c1(-c2c(cccc2)F)c(cc3NC(Nc3n1)=O)-c4c(cncc4)F	1846
+FC(F)(F)c1c2N=C(N(c3c(Cl)cccc3)C(=O)c2ccc1)CCl	1847
+c1cc(ccc1-c2ccc(s2)C(=O)CCc3c(c(c(O)cc3)Cl)Cl)Br	1848
+C1CCCC1CCCC=O	1849
+c1ccccc1CN(CCCCCCOCCCc2ccccn2)CC(c3ccc(O)c(CO)c3)=O	1850
+C1CC(CCC1)N(CCCCCC=O)C(c2ccccc2)=O	1851
+c1c(ccc(c1Cl)Cl)CCCC=O	1852
+c1cc(ccc1)CON2C(=O)N3C(CCC2C3)C=O	1853
+O=C1c2ccccc2C(=O)N1CC3Cc4c(O3)c5c(CCC5)cc4	1854
+C1(c2c(C(=O)N1CC3COCC3)cccc2)=O	1855
+c1cc(ccc1[N+]([O-])=O)Cn2c3c(cc(Br)cc3)cc2C(=O)OCc4ccccc4	1856
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(OC)=O	1857
+FC(F)(F)Oc1ccc(cc1)-n2ncc3c2ccc4c3ccc(c4)C=O	1858
+C1CCCN1CCc2cc(C=O)[nH]c2	1859
+c1ccccc1CN(Cc2ccccc2)c3nccc4c3[nH]c(C=O)c4	1859
+n1c(SCC(=O)NCC2CN(CCO2)Cc3ccc(c(c3)Cl)Cl)scc1C=O	1860
+Clc1cccc(c1)-c2onc(c2)C=O	1861
+n1n2CCOCc2cc1C=O	1861
+c1cc(ccc1)COc2c(ccc(C=O)n2)[N+]([O-])=O	1862
+c1cc(ccc1-c2cc3c(cc2Cl)[nH]cc3C=O)C4(CCC4)C(O)=O	1863
+c1ccccc1-c2sc3c(c(ccc3)C=O)n2	1864
+c1cc(ccc1Nc2c(cnc3c2cc(cc3)Cl)C=O)Cc4ccccc4	1865
+O=S(=O)(n1ccc2c1cccc2)c3cc(C=O)c(cc3)Br	1866
+Clc1ccc(c(C=O)c1)-n2nnnc2	1867
+c1cc(ccc1)-c2c(C=O)cc(cc2)Br	1867
+c1ccccc1-c2cc(Br)ccc2C=O	1867
+c1ccccc1-c2cc(Br)ccc2C=O	1868
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)N=C=O	1869
+c1cc(ccc1F)COc2cc(c(N=C=O)cc2)F	1870
+CC(C)(C)OC(=O)N1CC(CS(Cc2ccc(cc2)F)=O)CC1	1871
+C1CC1COc2cc(ncc2)CS(c3nc4c(cc(F)cc4)[nH]3)=O	1872
+FC(F)(F)c1nn(-c2ccc(cc2)CNS(=O)(=O)C3CCCC3)c4c1CCCC4	1873
+FC(F)(F)S(=O)(=O)Nc1cc(OCc2nc3ccccc3cn2)ccc1	1874
+FC(F)(F)c1cc(c(cc1)S(=O)(=O)Nc2cc(Cl)c(c(c2)Cl)Sc3ccc4ccccc4c3)Cl	1875
+FC(F)(F)c1ccc(c([N+]([O-])=O)c1)S(=O)(=O)Nc2c3c(c(cc2)F)cccn3	1876
+O=S(=O)(Nc1cccc2nccnc12)c3c([N+](=O)[O-])cccc3	1876
+c1ccccc1-n2nc3ncc(NS(=O)(=O)c4ccccc4)cc3c2	1877
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)-c3ccc(Cl)cc3CO2	1878
+C1COCCN1S(=O)(=O)c2cc(ccc2OC)F	1879
+c1cc(ccc1)S(=O)(=O)N2CC(c3cn4c5c(cccc35)CCC4)C(c6c[nH]c7c6cccc7)C2	1880
+CC(C)(C)OC(N1CC2CC(CC(C1)N2S(=O)(=O)c3ccc(cc3)Cl)=O)=O	1881
+O=S(=O)(C)c1ccc(C(=O)c2cnn(CC)c2OC(=O)SCC)c(c1OCCOC)C	1882
+O=S(=O)(C)c1ccc(C(=O)c2cnn(CC)c2OC(=O)SCC)c(c1OCCOC)C	1883
+CC(C)(C)Sc1ccc(c(c1)Cl)Cc2c3c(ccc(c3)C(NS(=O)(=O)CCCCC)=O)[nH]c2C	1884
+O=S(=O)(C)NC(c1ccc(c(Cl)c1)OCc2cc(F)c(cc2)F)=O	1884
+CC(C)(C)[Si](C)(C)OCCn1ncc(c1)-n2c3c(c(Sc4cccc(c4)C(OCC)=O)c2C)ccc(c3F)Cl	1885
+C1CCCCC1n2ncc(C(=S)N)c2-c3ccc(cc3)F	1886
+Clc1cc(cc(Cl)c1C2CC2)N=C=S	1887
+c1(nc2c(nc(Cl)c(C#N)c2)n1C)C	1888
+C1COCCN1C(c2ccc(OCc3c(noc3C)-c4ccncn4)nc2)=O	1889
+CN(C)C(=O)c1cn2c(nnc2c(NCc3c(cccc3CC)C)c1)C	1889
+C1CCCCN1C(c2cc(C)c(Nc3cnc(C)cc3)nc2)=O	1890
+FC1(F)CCCC(C1)CNC(=O)c2cc(n3cccc(Cl)c23)CCOC	1891
+c1ccccc1C(CO)NC(=O)c2cnc3c(cnn3CC)c2NC4CCOCC4	1891
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)c3cncc(C(=O)Nc4ccc(cc4)Cl)c3	1892
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(=O)OCC)Cl)CC#N	1893
+Cc1nccc(C)c1CCl	1894
+FC(F)(F)c1ccc2c(c(cnc2c1)CCl)O	1894
+N1(c2c(C(=O)N(c3ccc(Cl)nc13)C)cc(CCl)cn2)CC	1895
+C1CN(CCC1N2CCCCC2=O)Cc3c(-c4ccccc4)nc5ccccc5c3C(OC)=O	1896
+c1(C(NCc2cc3c([nH]c(C(=O)OC)c3)nc2)=O)c(C)ccc([N+]([O-])=O)c1	1897
+CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12	1898
+CC(C)(C)Oc1ccc(CO)cn1	1899
+c1cc(ccc1OCc2cc3c(nc2)N(c4nc(Cl)ccc4N(C)C3=O)CC)O	1900
+O(c1c(Cl)ncc(CO)c1)C	1901
+O(c1c(cc(CC)c(C)n1)C=O)C	1902
+c1(ccncc1N2CCNC2=O)C	1903
+[nH]1c2c(c(NC(c3nccnc3)=O)c1)c(F)c(cn2)Br	1904
+FC(F)(F)c1cccc(c1)C(Nc2cc(c(C)nc2)I)=O	1905
+c1cc(ccc1Cn2c(cc(NCc3ccccc3)c2)C(=O)C)F	1906
+C1CN(CCN1c2ccc(cn2)Nc3ncc4scc(-c5cccc(C(NC6CC6)=O)c5)c4n3)CC	1907
+C1CN(CCN1c2ncc(cc2)Nc3nc4c(c(N)n3)scc4-c5cc(ccc5)NS(=O)(=O)C)CC	1908
+O=S(=O)(N1CC2(C(=O)c3ccccn3)C(=Cc4c(cnn4-c5ccc(cc5)F)C2)CC1)c6ccc(Cl)nc6	1909
+C1CCCCC1Oc2ccc(cc2)Cc3noc(c3)-c4ccc(N)nc4N	1910
+c1cc(ccc1F)-c2nc3n(c2)c(c(s3)C(N)=O)C	1911
+C1CCCCC1c2nc(c(C)o2)C(=O)Cl	1912
+Fc1cccc(F)c1COc2cccn3c2nc(C)c3C(=O)NCC(CC(C)C)(N)C	1913
+c1c(F)c(c(cc1)F)COc2c3n(c(c(C)n3)C(NC4Cc5c(cccc5)NC4)=O)ccc2	1914
+c1cc(ccc1F)CN2C(N(CC2)c3nc(c(C(=O)NCc4ccccn4)s3)C)=O	1915
+c1ccccc1CCCc2cn(nn2)-c3sc(C(NCc4cnccc4)=O)c(C)n3	1915
+CC(C)CN1C(N(CC1)c2nc(c(C(=O)NCc3ccn(C)n3)s2)C)=O	1916
+c1cc(ccc1CNC(=O)c2sc(nc2C)N)Cl	1916
+CN(C)c1nccc(-c2c(nc3n2cccc3)CN(C4CCCc5c4nccc5)C)c1	1917
+CN(C)c1nccc(-c2c(nc3n2cccc3)CN(C4CCCc5c4nccc5)C)c1	1918
+CN(C)c1nccc(-c2n3ccccc3nc2C=O)c1	1919
+FC(F)(F)c1ccc(cc1)CNc2nc(c(c(N)n2)NC(CC3CCCC3)=O)C	1920
+CC(C)OB(O)c1ccc2c(CCCC2)c1	1921
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(ccc(F)c3)F	1922
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(cccc3F)F	1922
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(ccc(F)c3)F	1923
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(cccc3F)F	1923
+CC1(C)OB(OC1(C)C)c2c(F)cc3c(c2)CCC(=O)N3C	1924
+c1c(cc(-c2ccc(cn2)C)c(Cl)c1)Br	1925
+c1(cccc(F)c1Oc2ccc(cc2)I)F	1926
+c1cc(ccc1Oc2c(ccc(F)c2)F)I	1926
+c1cc(ccc1CCO)Nc2nc(C)cc(C)c2[N+]([O-])=O	1927
+CC(C)(C)OC(=O)C1CCN(CC1)c2c(C#N)cc(C(=O)OCC)c(n2)C	1928
+CC(C)c1n2c(nn1)c(ccc2C)C(OC)=O	1929
+Clc1ccc(CC)c(-c2c(C(=O)N)cc(-c3c(cnc(N)n3)Br)[nH]2)c1	1930
+FC(F)(F)Oc1ccccc1-c2cc(c(n2CC3OCCC3)C)C(=O)NC4CCCCC4	1931
+O=S(=O)(c1cc(C(Nc2ccc(c(Br)c2)F)=O)c(C)s1)Cl	1932
+CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1	1933
+c1cnc(C(=O)Nc2cc(c(-c3cccnc3)nc2N)-c4c(cncc4)F)cn1	1934
+c1cc(ccc1C(Nc2c3ccc(Br)cc3n(c2C(=O)OCC)Cc4cccc(Cl)c4)=O)Cl	1935
+c1cc(ccc1)-c2scc(n2)COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC	1936
+FC(F)(F)c1ccc2S(=O)(=O)Nc3c4c(cccn4)c(cc3-c2c1)F	1937
+O=S1(=O)c2ccccc2-c3c(c4nccnc4cc3)N1	1937
+c1ccccc1-c2scc(COc3cccc4oc(cc34)-c5nc6n(c5)nc(OC)s6)n2	1938
+FC(F)(F)c1c([n+]([O-])c(cc1)Cl)Cl	1939
+C1CCCCC1(c2ccc(cc2)CNC(c3c(C)nc4ncccc4c3)=O)O	1940
+FC(F)(F)c1ccc(C(NC2CCC2)=O)c(O)n1	1941
+N#CCc1c(C)nccc1	1942
+O(c1c(CCl)cc(F)c(C)n1)C	1943
+O(c1c(CCl)cc(F)c(C)n1)C	1944
+c1(CCl)c(C)nccc1	1945
+c1cc(ccc1C(Nc2c(CNC(=O)C3NC(CC3)=O)cc(F)c(Nc4[nH]nc(c4)C5CC5)n2)C)F	1946
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(c3ccc(c(c3)F)CNS(=O)(=O)C)C	1947
+O(c1c(CO)cc(F)c(C)n1)C	1948
+c1ccccc1C=C2c3nc(C)c(cc3CCC2)C=O	1949
+C1CN(CCN1c2ccc(NC(c3cc(C#N)c[nH]3)=O)c(N4CCC(CC4)C)n2)C	1950
+O(c1c(c(cc(c1OC)OC)C)C(c2c(c(Br)cnc2OC)Cl)=O)C	1951
+O(c1cccnc1OCC(OC)=O)C(C)=O	1952
+O(CC(=O)OC)c1c(O)cccn1	1953
+O(CC(=O)OC)c1c(O)cccn1	1954
+O1CCOC1c2cnc(c(-c3nc(SC)nc(n3)C)c2)F	1955
+c1(ocnc1)-c2cc(ncc2)-c3c(C)ccnc3OC	1956
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2nccnc2C(Nc3ccc(cn3)C)=O)=O	1957
+C1CN(CCN1C(Nc2c(nc3c(ccc(F)c3)n2)OC)=O)c4cc(ccc4)C	1958
+CC(C)(C)Nc1nc(c(cn1)C(N)=O)SC	1959
+c1(c(NC)nc(SC)nc1)C=O	1960
+c1cc(CNc2nc(SC)ncc2C=O)cc(Cl)c1OC	1960
+CC(C)(C)CN(C)c1c(c(ncn1)Nc2cc(C(NC)=O)ccc2C)NC(=O)C	1961
+O=S(=O)(NC1CCC(CC1)O)c2c(ccc(-c3cnc(N)nc3C)c2)Cl	1962
+n1c(-c2cccc(C(OC)=O)n2)cccc1CN	1963
+C1CC(CCN1c2c(ccc(C)n2)C#N)=CC#Cc3cc(F)cc(F)c3	1964
+CC(C)c1nc(N2CCNC(C)C2)c(C#N)c(-c3ccccc3)c1	1965
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1966
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1967
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1968
+c1cc(ccc1-n2cccn2)-c3ccc(cc3)-c4nc5c(NC(=O)C5)cc4Cl	1969
+c1cc(ccc1)CCC=2C(=O)N(Cc3ccccc3)c4c(C=2)c(O)c(C(OC)=O)nc4-c5cnccc5	1970
+FC(F)(F)c1c(nc(cc1)Cl)Cl	1971
+FC(F)(F)c1c(nc(cc1)Cl)Cl	1972
+CN(C)c1c(C#N)ccc(Oc2cc3COB(c3cc2)O)n1	1973
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCN(C(CC(C)C)=O)C3)C(N)=N1	1974
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCN(C(CC(C)C)=O)C3)C(N)=N1	1975
+c1c2c(ccc1OC)C(C(=O)N2)=Cc3c(CCCO)c4c([nH]3)CCCCC4	1976
+C1CN(CCN1)c2c(F)cc3c(NC(=S)N3)c2	1977
+C1(Nc2cccc(c2OC1)CC=C)=O	1978
+C1(COc2c(c(F)c(cc2)CCCl)N1C)=O	1979
+c1nc(c2n1-c3c(c(ccc3)CC=C)OC2)C(=O)OCC	1980
+N#Cc1cc2c(CCCC2)c(c1OC)I	1981
+O(CCOC)c1cc(C(C#N)C(=O)C)ccc1OCCOC	1982
+O(CCOC)c1cc(C(C#N)C(=O)C)ccc1OCCOC	1983
+O(CCOC)c1cc(C(C#N)C(=O)C)ccc1OCCOC	1984
+FC(F)(F)C(c1cc2c(cc1F)OCC(N2C)=O)(C(C)c3ccc(Br)cc3Cl)O	1985
+C1CC(CCC12OCCO2)c3c(cc(OCOC)cc3)OCOC	1986
+C1CC(CCN1Cc2ccccc2)c3ccc(cc3)OC	1986
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C)cccc2F	1986
+CC(C)(C#N)c1cc(C)c(C(C)NC(=O)Cn2c3c(cccc3nc2)F)cc1	1987
+CC1(C)CCCc2cc(C(C)OC(C)=O)c(c(Br)c12)OC	1988
+c1cc(ccc1)COc2c(cccc2-c3ccccc3)C(c4cc(ccc4)-c5c(cccc5)OC)C	1989
+c1cc(ccc1C)C2c3c(cc(Br)cc3)CN(C2)C	1990
+CC(C)C(c1ccc(c(c1)[N+]([O-])=O)NC)n2cncc2	1991
+C(=NO)(C)c1c(C)cc(OC)c(C)c1	1992
+N(O)=C(CNC(C)=O)c1cccc2ccc(OC)cc12	1992
+Cc1c(OC)cc(c(C(C)=O)c1)C	1993
+c1c(cc(c(OC)c1C(C)=O)OC)Cl	1993
+c1cc(ccc1-c2cc(c(cc2)OC)C(C)=O)C#N	1993
+COc1cccc(C(=O)C)c1Br	1994
+C1CCC(C1)CC(C(OC)=O)c2cc(c(SC)cc2)Cl	1995
+c1(C)cc(C(CNCCO)O)ccc1[N+]([O-])=O	1996
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(=O)CC(=O)c3cc(-n4ccnc4SCOC)ccc3)=O	1997
+CC(C)(C)OC(=O)Nc1c(cc(-c2cc(ccc2F)F)cc1)NC(CC(=O)c3cccc(C#N)c3)=O	1998
+FC(F)(F)c1c(cc(c(c1)NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)NC(=O)OC(C)(C)C)N4CCSCC4	1999
+c1cc(ccc1C(Cl)c2ccc3c(c2)c(cc(n3)O)-n4ccnc4)Cl	2000
+ClC(c1cc(C)c(cc1)[N+]([O-])=O)=NO	2001
+CC(C)COc1c(CCC(OCC)=O)cc(C(c2c(OCC(C)C)cc(OCC(C)C)cc2)N)cc1	2002
+NC(=O)c1cc2c(CCCC2)c(c1OC)I	2003
+c1cc(ccc1C(N)=O)-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C	2003
+CC(C)(C)OC(=O)c1ccc(cc1)CN2C(=C(c3ccccc3)c4c(ccc(C(=O)N)c4)C2=O)C(=O)OC	2004
+CC(C)(C)OC(c1ccc(cc1)N(c2cc(OC)c(cc2)C(N)=O)Cc3scnc3)=O	2004
+Cc1cc(cc(C)c1F)C(NCCc2ccc(cc2)C(C)C)=O	2005
+c1cc(ccc1C)C(Nc2cncc(Br)c2)C(N)=O	2006
+FC(F)(F)c1cc(C2(SCCCS2)C(O)c3cc(c(cc3)OC(F)F)C)ccc1	2007
+FC(F)(F)c1cc(cc(Cl)c1N)C(O)CN(Cc2ccccc2)CCCCCCOCCc3ncccc3	2008
+FC(F)(F)C(Oc1cc(nc(N)n1)Cl)c2c(cccc2)-c3cscc3C	2009
+c1c2c(OCCO2)cc(C(c3c(ccc(I)c3)Br)=O)c1	2010
+c1cc(ccc1F)CN2C(=O)C(=C(Cl)c3cc(C)ccc23)C#N	2011
+CC(C)c1cc2c(CCN=C2c3cc(C)c(c(c3)C)F)cc1	2012
+c1cc(ccc1C(Cl)=NO)C	2013
+CC1(C)OB(O)c2c1cc(C(=NO)Cl)c(F)c2	2014
+CC1(C)OB(O)c2c1cc(C(=NO)Cl)c(F)c2	2015
+C[Si](C)(C)c1cc(C(C(=O)c2cc(ccc2)Br)=O)ccc1	2016
+c1c(c(C(Cl)=O)cc(-c2nnn[nH]2)c1)OC	2017
+c1cc(ccc1OCCCN(C)C)C(Cl)=O	2017
+FC(F)(F)C=1N(C)C(=O)N(c2cc(c(Cl)cc2F)C(=O)Cl)C(=O)C=1	2018
+Clc1cc(cc(Cl)c1OCCCCCCCCCCCC)C(Cl)=O	2019
+c1(C(=O)Cl)cc2c(C(=O)c3c(O2)cccc3)cc1	2019
+c1cc(ccc1-c2ccc(cc2)C(Cl)=O)OCCCCl	2019
+c1cc(ccc1C(Cl)=O)OCC#CC	2019
+c1ccccc1CC(NCCc2c3c(ccc2)ccc(c3)C(=O)Cl)=O	2020
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	2021
+COc1c(C(Cl)=O)c(ccc1)CCCCCCCCCCCCCCC	2022
+C(Cl)(=O)c1ccc(C#N)cc1C	2023
+C1CCCC1Oc2cc(C(=O)Cl)ccc2SC	2023
+CC(C)(C)c1c(c(cc(c1)C(=O)Cl)C#N)OC	2023
+CC(C)N1C(C(Oc2cc(C(Cl)=O)ccc12)CC)=O	2023
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	2024
+C1CN(CCN1C(=O)c2c(cc(cc2)Br)S(=O)(=O)C)c3ncc(cc3C4CC4)C5CC5	2025
+C1CN(CCC1)CCOC2CCN(CC2)C(c3c(ccc(c3)Cc4c5c(c(O)nn4)cccc5)F)=O	2026
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(c3cc(S(=O)(=O)C)ccc3SCC)=O	2026
+C1CC1OC2CC(CO)N(C(c3cc(c4c(c3)nc(NCc5nccc(Cl)c5)o4)OC)=O)C2	2027
+C1CN(CCC1C(=O)N2CCN(CC2)C(c3ccc(cc3)C#N)=O)c4ccncn4	2028
+C1CCN(C1)C(=O)c2ccc3c(c2)Oc4c(cccc4)C3=O	2029
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCCl	2029
+C1CC1OC2CC(CO)N(C(c3cc(c4c(c3)nc(NCc5nccc(Cl)c5)o4)OC)=O)C2	2030
+C1CCN(C1)C(=O)c2ccc3c(c2)Oc4c(cccc4)C3=O	2030
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCCl	2030
+CC(C)(C)OC(C(C)(C)Sc1nc(CCOc2ccc(-c3ccc(cc3)F)cc2C(N4CCOCC4)=O)cs1)=O	2030
+CC(C)(C)OC(NC1CN(CCC1)C(c2ccc(c(c2)[N+](=O)[O-])NC)=O)=O	2030
+CC(C)(C)OC(c1ccc(cc1[N+](=O)[O-])C(=O)N2CCCCC2)=O	2030
+c1cc(ccc1C(N(C)C)=O)CNC(N2C(C)CN(c3ccc(c(Cl)c3)C#N)C(C)C2)=O	2030
+C1C2CC1N(C2)C(=O)c3ccc(c(F)c3)Oc4cc(cc(c4)OC(C)CO)C(=O)Nc5nn(C)cc5	2031
+C1CC2(CCN1C(=O)c3cc(OC)c4c(n(C5CC5)cc4)c3)Oc6ccc(-c7cc(ccc7)C(O)=O)cc6C(=O)C2	2031
+C1CN(CCO1)C(=O)c2ccc(cc2)Nc3c4n(ccn4)cc(Br)n3	2031
+C1C(CC1)N(C)C(c2cc(ccc2OC)Oc3c(cc(cc3Cl)COC)Cl)=O	2032
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)NCC3CC3	2033
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2nc3c(o2)cc(cc3)C(N(C)C)=O)cc1)C	2034
+CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(c3ccc(cc3)-c4oc5c(C(C)C)cc(C#N)cc5n4)=O)C2	2034
+c1(I)ccc(C)cc1C(=O)N2C(C)CCCC(COc3ccc(c(C)c3)F)C2	2035
+c1cc(ccc1C(=O)N2c3ccccc3CCc4ccccc4C2)NC(c5c(cccc5)C)=O	2036
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3CCc4nncn4-c5c3cccc5	2036
+C1N(C(=O)c2c(cc(I)cc2)OC)c3c(Cn4c1ccc4)cccc3	2037
+c1cc(ccc1-c2cccc(C)c2)C(N3Cc4cccn4Cc5ccccc35)=O	2038
+CC(C)(C)c1cc(C(=O)N2c3ccccc3SC2)cc(C#N)c1OC	2039
+CC(C)(C)c1cc(C(=O)N2c3ccccc3SC2)cc(C#N)c1OC	2040
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3CCc4nncn4-c5c3cccc5	2041
+C(C)C(CC)(c1cc(c(C#CC2(CCCC2)O)cc1)C)c3cc(c(C(NC(C)(C)C(OC)=O)=O)cc3)C	2042
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	2043
+C1CN(CCN1CCNC(=O)c2c(OC)c3c(c(Br)c2)cccc3)c4c(c(Cl)ccc4)Cl	2044
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	2045
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	2046
+c1cc(ccc1NS(=O)(=O)C)C(NCCN2CCSCC2)=O	2046
+C(c1ccc(C)nc1)NC(=O)c2cc(cc(c2)-c3ccc(cn3)C)Br	2047
+C1CC(CCN1C(N)=N)CNC(=O)c2cc(OCCc3c(Cl)cc(Cl)cc3)c(OC)cc2	2047
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	2047
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)C(NCCOc3cc(ccc3)C#N)=O)=O	2047
+CC(C)(C)OC(N(C)C1c2c(C(c3ccc(c(Cl)c3)Cl)CC1)ccc(C(=O)NC4CC4)c2)=O	2047
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)O)ccn2)=O	2047
+CC(C)(C)ON=C1c2c(OC(=C1)c3ncn4c(c3)ccc4)ccc(c2)C(=O)NCCN5CCOCC5	2047
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3c(OC)cc(C(=O)NS(=O)(=O)c4ccccc4C)cc3)cn(C)c2cc1	2047
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(=O)NCCC(=O)OC	2047
+Nc1c2c(CCCN2C)c(cc1C(NC3CCCCC3O)=O)Br	2047
+O=C(Nc1cc(ccc1C)C(NCc2cccc(Cl)c2)=O)c3cc4cc(OC)c(OC)cc4nc3O	2047
+c1cc(ccc1)C(N(S(=O)(=O)c2ccc(cc2)Cl)Cc3ccc(cc3)C(=O)NCCCOC)CC	2047
+c1cc(ccc1)OCC(Nc2ccc(cc2)C(=O)NCCC(OCC)=O)c3oc4c(cccc4)c3C	2047
+c1cc(ccc1-c2c(C)ccc(NC(=O)c3ccoc3)c2)C(=O)NCCCN4CCOCC4	2047
+c1cc(ccc1C(=O)NCCC(=O)OC)C(=O)CCC	2047
+c1cc(ccc1C(NCc2c(nc(C)cc2C)O)=O)C(C)OCC	2047
+c1cc(ccc1C(c2cc(OC)c(OC)cc2)=O)C(NCCOc3cc(ccc3)C#N)=O	2047
+c1cc(ccc1CCNC(=O)c2cc(-n3cnnn3)cc(-c4ncccc4OC)c2)F	2047
+c1cc(ccc1CN2c3c(C(=O)N(C2=O)Cc4ccc(cc4)C(NCC5COC5)=O)cccc3)C	2047
+c1nc(ncc1C)C2(CC2)NC(c3ccc(C)c(c3)-c4cc5c(c(-c6ccc(cc6)F)oc5cc4)C(=O)NC)=O	2047
+n1cc(cnc1C)C(NC(=O)c2cc(-c3ncc(C)cc3)cc(OC)c2)C	2047
+C1CC(CCO1)NC(=O)c2c(Oc3ccc([N+]([O-])=O)cc3F)cc4cnn(C5OCCCC5)c4c2	2048
+c1ccccc1CNC(c2cccc(c2)-c3ccc(cc3)C=C4SC(=O)NC4=O)=O	2048
+FC(F)(F)c1cc(SC)c(C(=O)NC2(c3ccccc3)CCCN(C(=O)OCc4ccccc4)C2)c(OC)c1	2049
+Clc1ccc(c(Cl)c1)CCNC(c2ccc3c(c2)ccn3-c4ccc(CC(OC)=O)cc4C#N)=O	2050
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	2050
+C1C2CC3CC(CC1C3N(CC(COc4ccccc4C(NCc5ccc(cc5)C6(N=N6)C(F)(F)F)=O)O)C)C2	2051
+C1CC1NC(=O)c2cc(C=3C(=O)N(C)c4nc(ncc4C=3)SC)c(C)cc2	2051
+CC(C)Oc1ccc(C#C)cc1C(NC(CO)Cc2c[nH]c3ccccc23)=O	2051
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(c3ccc(cc3)C(=O)NCC(O)C(OC)=O)C(C)C	2051
+c1cc(ccc1)CCNC(=O)c2ccccc2NC(=O)c3ccc(OC)c(Cl)c3	2051
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	2052
+c1(F)cc(cc(F)c1)CC(C(CNCc2cccc(OC)c2)O)NC(c3cc(cc(c3)C(=O)N(CCC)CCC)C)=O	2053
+FC(F)(F)c1cc(SC)c(C(=O)NC2(c3ccccc3)CCCN(C(=O)OCc4ccccc4)C2)c(OC)c1	2054
+c1cc(ccc1C(=O)NN=C2c3cc(I)ccc3NC2=O)NC(CCCCC)=O	2055
+c1cc(ccc1NC(CCc2cc3c(OCO3)cc2)=O)C(NN=C4c5c(ccc(c5)Br)NC4=O)=O	2055
+c1cc(ccc1C(NN)=O)CCCCCCCCCCCC	2056
+c1ccccc1C(Nc2ccc(cc2)Cc3cn(C)c4ccc(C(=O)NO)cc34)=O	2057
+C1CC(CCC1)c2c3ccc(C(=O)NS(=O)(=O)C4CC4)cc3n5CC(C(=O)OC)=Cc6cc(OC)ccc6-c25	2058
+C1CC1c2c(cc(c(c2)C(NS(=O)(=O)C3CC3)=O)F)OCC4CCN(CC4)S(=O)(=O)C	2059
+O=S(=O)(c1ccccc1C)NC(c2ccc(Cc3c4c(ccc(c4)C(OC)=O)n(C)c3)c(OC)c2)=O	2059
+C1CN(CCN1CC)c2cc(C#N)c3c(C(N(c4cc(ccc4C)C(=O)Nc5ccon5)C=N3)=O)c2	2060
+C(C)c1cccc(CC)c1C(=O)Nc2sc(nn2)C(CC)(CC)C	2061
+c1cc(ccc1Oc2cc(cc(C(Nc3sccn3)=O)c2)OC4C(=O)N(C)CC4)-c5oc(C)nn5	2062
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnc(cc2)NC(N3CCCC3)=O)F)CCC	2063
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnc(cc2)NC(N3CCCC3)=O)F)CCC	2064
+c1cc(cc([N+]([O-])=O)c1SC)C(Nc2cnc(cc2)-c3ccccc3F)=O	2065
+c1cc(ccc1OCCCCCC)C(Nc2c(cccc2)Oc3cccc(OC(c4[nH]nnn4)C)c3)=O	2066
+C1CC1c2cc(c(cc2)F)NC(c3cc4c(nc(Nc5c(cccc5Cl)Cl)[nH]4)c6c3OC(C)(C)C6)=O	2067
+c1cc(ccc1C(Nc2ccc(cc2)N3C4C(CC3)N(C)CC4)=O)OCCCC	2067
+c1cc(ccc1N2CCN(CC2)Cc3cccc(C#N)c3)NC(=O)c4cccc(c4-c5ccc(cc5)C(C)C)C	2067
+FC(F)(F)c1cc(ccc1-n2cnc(c2)C)C(Nc3ccc(C)c(c3)NC(c4csc5c4ncnc5NC6CC6)=O)=O	2068
+FC(F)(F)c1c(ccc(NC(=O)c2c(CCCCCCCCCCCCCCC)cccc2OC)c1)C#N	2069
+c1cc(ccc1OCCCCCC)C(Nc2c(cccc2)Oc3cccc(OC(c4[nH]nnn4)C)c3)=O	2069
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(Nc4ccccc4)=O)CNC(C)=O	2070
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(OC)=O)CNC(=O)NC	2070
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc3c(nc(o3)-c4cccc(c4)NC(=O)c5cccc(c5)N(C)C)n2	2071
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3Cc4cccn4Cc5c3ccs5	2071
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(F)ccc2C(=O)Nc3c(cccc3)C(Nc4ccc(Cl)cn4)=O	2072
+c1cc(ccc1C(OCC)=O)NC(c2ccc3c(N(S(=O)(=O)c4c(OC)ccc(Cl)c4)CCO3)c2)=O	2072
+c1cc(ccc1NC(c2ccc3c(c2)C(C)(C)CCC3(C)C)=O)C(Nc4c(N)cccc4)=O	2072
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(F)ccc2C(=O)Nc3c(cccc3)C(Nc4ccc(Cl)cn4)=O	2073
+Clc1cncc(Cl)c1NC(c2ccc(SC)c(OC3CCCC3)c2)=O	2074
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccccc3-c4sc(CC(OC)=O)cc4)=O)c2	2074
+c1cc(ccc1C#N)NC(c2ccc(OC)cc2[N+]([O-])=O)=O	2074
+c1ccccc1NC(=O)c2c(Cl)cccc2C	2074
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(OCc2nnn(Cc3ccccc3)c2)=O	2075
+c1cc(ccc1)CN2CCC(OC(=O)c3cc(c(cc3)[N+]([O-])=O)OC)C2	2076
+O=C1CCC(=O)N1OC(=O)c2c(OCCCN=[N+]=[N-])ccc(c2)C(=O)C	2077
+FC(F)(F)c1ccc(cc1)C(c2c(c3C(CC(C)(C)Oc3cc2C(C)C)=O)C4=CCCCC4)=O	2078
+C1COCCN1CCn2c(C)c(c3ccc(cc23)Cl)C(=O)c4c5c(cccc5)c(cc4)C	2079
+O=S1(=O)CCN2CCCC(c3ccc(cc3)Oc4ccc(F)c(C)c4)C2=N1	2080
+c1cc(ccc1C(=O)OC)C2C=CC=[N+]([O-])C2=O	2081
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4cccc(C)c4	2082
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4cccc(C)c4	2083
+FC1(F)CCC2(CC1)C(=C(C(N2)=O)c3c(C)ccc(c3)-c4cc(c(Cl)cc4)F)O	2084
+CC(C)(C)c1cccc(C2=NN(C(C2=CN)=O)c3sc4c(cccc4)n3)c1	2085
+CC(C)(C)c1cccc(C2=NN(C(C2=CN)=O)c3sc4c(cccc4)n3)c1	2086
+c1(c(c(ccc1C)Cl)Nc2ccccc2C3=NNC(=S)O3)Cl	2087
+FC(F)(F)C1(CC(=NO1)c2ccc3c(C(C)(C)OB3O)c2)c4c(c(c(c(c4)Cl)F)Cl)F	2088
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(cc3)C	2089
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(cc3)C	2090
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	2091
+FC(F)(F)C1(CC(=NO1)c2ccc3c(C(C)(C)OB3O)c2)c4c(c(c(c(c4)Cl)F)Cl)F	2092
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	2092
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	2093
+c1cc(ccc1F)CCc2c(cc(CBr)cc2)C(OC)=O	2094
+c1cc(ccc1C)-c2oc(C)c(n2)Cc3cccc(CBr)c3	2095
+c1cc(ccc1OC(=O)C)CBr	2095
+C(Br)c1cc(c(Cl)cc1F)OC	2096
+C(Br)c1cc(cc(C)c1OC)Br	2097
+CC(C)c1cc(cc(C(C)C)c1CBr)C(C)C	2098
+Fc1cc(CBr)c(F)cc1Cl	2099
+C1CN(CCN1c2ccc(c(Cl)c2)CBr)CC	2100
+FC(F)(F)c1cc(CBr)c(cc1)Oc2cccc(c2)C(C(=O)O)C	2100
+N#Cc1cc(F)c(cc1F)CBr	2100
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CBr)cc1)Br)CC	2100
+c1c(c(Cl)cc(c1)CBr)OCC=C	2100
+c1cc(cc(OCCC)c1OC)CBr	2100
+c1cccc(CCCCCCCCC)c1CBr	2100
+O=S(=O)(N)c1c(c(SC)cc(CBr)c1)Cc2ccccc2	2101
+C(c1ccc(OCC)cc1C)Br	2102
+C(c1cccc2ccc(OC)cc12)C#N	2103
+C(OC)COc1c(OCCOC)cc(cc1)CC#N	2104
+c1(cc(CC#N)cc2c1OCO2)OC	2104
+C(c1cccc2ccc(OC)cc12)C#N	2105
+c1(cc(CC#N)cc2c1OCO2)OC	2105
+c1cc(ccc1CN2C(=O)N(N=C(OC)C2=O)c3c(CC#N)cccc3)Cl	2105
+c1ccccc1Sc2ccc(cc2C)CC#N	2105
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCc3cc(CC#N)ccc3	2105
+C(C#N)c1cc(c(Cl)cc1F)OC	2106
+C(C#N)c1cc(c(Cl)cc1F)OC	2107
+C(OC)COc1c(OCCOC)cc(cc1)CC#N	2107
+Cc1cccc(C)c1COc2cccc(CC#N)c2C	2107
+Clc1cc(c(Cl)c(CC#N)c1)OC	2107
+FC(F)(F)COc1c(F)ccc(CC#N)c1	2108
+CC(C)c1c(CC(O)=O)cc2OCOc2c1	2109
+O(C)c1cc(cc(OC)c1OC)CC(=O)O	2110
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN(c3ncccn3)C	2111
+c1cc(ccc1CC2SC(NC2=O)=O)OCCN(c3nc4ccccc4s3)C	2111
+CC(C)(C)NC(=O)Oc1ccc(cc1)CCOc2ccc(cc2)CC3SC(NC3=O)=O	2112
+c1cc(ccc1Cl)CCC(=O)C2(CC2)Sc3ccccc3	2113
+C(CO)Cc1c(CC#N)cccc1	2114
+c1cc(ccc1)C(CCc2ccc(cc2)C(=O)O)=O	2115
+c1cc(ccc1C(CCc2cc(OC)c(cc2)O)=O)O	2116
+c1(c(c(c(OC)c(c1C)CC[N+]([O-])=O)C)C)OC	2117
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CC[N+](=O)[O-]	2117
+c1c(c(CC)c(Br)cc1)CC[N+](=O)[O-]	2117
+c1c(c(c(F)cc1)C)CC[N+](=O)[O-]	2117
+c1cc(CC[N+](=O)[O-])cc(C)c1OC	2117
+C1CN(CCC12OCCO2)CCc3c(OC)cc4cccnc4c3	2118
+C1CN(CCC12OCCO2)CCc3c(OC)cc4cccnc4c3	2119
+c1cc(ccc1CCC(NCCc2cc(OC)cc(OC)c2)=O)F	2120
+FC(F)(F)C(=O)NCCc1c(c(ccc1)Br)CC	2121
+FC(F)(F)C(=O)NCCc1c(c(ccc1)Br)CC	2122
+c1(c(c(c(OC)c(CCN)c1C)C)C)OC	2123
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CCN	2123
+c1c(c(CC)c(Br)cc1)CCN	2123
+c1cc(cc(C)c1OC)CCN	2123
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3cc(ccc3C)CCN)n2)=O	2124
+FC(F)(F)COc1cc(ccc1F)CCN	2124
+FC(F)(F)COc1cc(ccc1F)CCN	2125
+c1(c(c(c(OC)c(CCN)c1C)C)C)OC	2126
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CCN	2126
+c1c(OC)cc(cc1CCN)OC	2126
+c1c(c(CC)c(Br)cc1)CCN	2126
+c1cc(cc(C)c1OC)CCN	2126
+c1cc(ccc1CC=O)-c2ccc(cc2)C#N	2127
+COc1cc2c(cc1CC=O)nccc2	2128
+c1(c(c(CC=O)ccc1)OC)OC	2128
+C1CC(CCC1)c2cc(c(cc2)CCCC(=O)O)OC	2129
+FC(F)(F)c1ccc(cc1)-c2sc(CCCc3cc(C)c(OCC(=O)OCC)cc3)c(C)n2	2129
+c1cc(ccc1CCl)-c2nc(COC(c3ccccc3)=O)sc2	2130
+c1c(OC)c(Cl)ccc1CCl	2131
+c1c2c(cc(c1)CCl)N(c3c(nccn3)S2)COC	2132
+c1c(CCl)c2c(ccc(OC)c2)cc1	2133
+c1(cc(cc2c1OCO2)CCl)OC	2134
+COc1cc(cc(OC)c1Cl)-c2cc(CCl)ccn2	2135
+c12cc(ccc1cc(CCl)cc2)C	2135
+COc1cc(cc(OC)c1Cl)-c2cc(CCl)ccn2	2136
+c1cc(ccc1CCl)-c2[nH]c3ncnc(NCc4ccc(nc4)OC)c3c2	2137
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CCl	2138
+c1cc(ccc1C)S(=O)(=O)Oc2c(ccc(CCl)c2)OC	2138
+C(OC)COc1ccc(CCl)cc1OCCOC	2139
+ClCc1c(F)ccc(I)c1C	2139
+Cc1c(COc2ccc(cc2OC)CCl)nc(-c3cc(ccc3)C#N)o1	2140
+Cc1cc(cc(C)c1Nc2nc3cc(cc([N+]([O-])=O)c3s2)CCl)C	2141
+C1CC1C(Oc2cccc(c2)CCl)C	2142
+CC(C)(C)c1cc(c(OCc2ccccc2)cc1)CCl	2143
+CC(C)(C)[Si](C)(C)Oc1c(OC)ccc(c1)CCl	2144
+c1cc(ccc1N(Cc2ccc(cc2)C#CCCCCCCCC)C(=O)C)C=CC(=O)OCC	2145
+FC(F)(F)c1ccc(-c2c(ccc(CC(=O)OC)c2)OC)c(CN(C(=O)C)CC(F)(F)F)c1	2146
+C1CC1C(N(CC)Cc2c(ccc(F)c2)-c3c(OC)ccc(CC(OCC)=O)c3)=O	2147
+c1cc(ccc1)CNC(=O)N(CC)Cc2c(ccc(-c3cnc(OCC)cc3)c2)-c4cc(CC(OCC)=O)ccc4OC	2148
+CC(C)(C)OC(=O)N(Cc1cc([N+]([O-])=O)c(cc1)OC)C	2149
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)C(OCC)OCC	2150
+C[Si](C)(C)c1ccc(cc1)CN(CCc2cc(ccc2)C(F)(F)F)C(=O)c3c4[nH]ccc4cc(Cl)c3F	2151
+CC(C)(C)OC(=O)NCCN(C(=O)c1ccc(cc1)F)Cc2ccc(c(OC)c2)OCc3ccccc3	2152
+c1ccccc1COC(NC2CCN(C3CCC(N(Cc4ccc(cc4)OC)C)CC3NC(C)=O)C2=O)=O	2153
+c1cc(ccc1)OCCC2(CCN(CC2)Cc3cc(c(cc3)OCC=C)Cl)C(OCC)=O	2154
+C1CC(CCN1Cc2cc(OCC)c(c(OCC)c2)F)Nc3nc4c(ccc(OCC#N)c4)o3	2155
+C1CN(CCN1c2cc(ncn2)O)Cc3ccccc3C	2155
+c1c(F)cc(cc1CC2NC(OC2C3N(Cc4ccccc4C3)Cc5ccc(cc5)OC)=O)F	2155
+c1cc(ccc1)C(OCCOc2cccc(CN3CC(Nc4c5ccncc5ccc4)CC3)c2)=O	2155
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	2156
+C1CN(CCN1c2ncccc2)Cc3cc4ccc(C)cc4cc3	2156
+c1cc(ccc1CN2CC(C2)C(=O)O)-c3onc(-c4cc(C#N)c(OC(C)C)cc4)n3	2157
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	2158
+C1CN(CCO1)Cc2cc([N+](=O)[O-])c(cc2)[N+](=O)[O-]	2159
+C1CN(CCO1)Cc2cc(c(Br)cc2)F	2159
+C1CC(CCN1Cc2cc(OCC)c(c(OCC)c2)F)Nc3nc4c(ccc(OCC#N)c4)o3	2160
+C1CCN(C1)Cc2ccc(cc2)NC(=O)c3ccc(Cc4cc(cc5c4oc(C(C)C)c5)Cl)o3	2160
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	2160
+C1CN(CCN1Cc2cc(ccc2OCc3ccccc3)C=O)c4ccccc4	2160
+C1CN(CCN1c2ncccc2)Cc3cc4ccc(C)cc4cc3	2160
+C1COCCN1Cc2cc3c(cc2)n(c(CN(C(=O)c4c(ccc(F)c4)F)CCC)n3)CCC	2160
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cccc(CN(C)C)c4)nc12	2160
+c1cc(ccc1)OCCC2(CCN(CC2)Cc3cc(c(cc3)OCC=C)Cl)C(OCC)=O	2160
+c1cc(ccc1CN2CCC(CC2)c3nnc([nH]3)-c4cnc(cc4)OC)-c5c(cc6c(ccnc6O)n5)-c7ccccc7	2160
+c1cc(ccc1SC)CN2CCN(CC2)CCO	2160
+c12ccc(cc1CCN(C2)Cc3ccc(OCC)cc3C)C(C)NC(C)=O	2161
+C1CN(CCC1c2c3cc(cc(C(=O)N)c3[nH]c2)-c4cc(ccc4)CN(C)CCS(=O)(=O)C)S(=O)(=O)CC	2162
+CN(C)Cc1cc(Cc2c(NCCCCC)nc(N)nc2C)ccc1	2162
+c12ccc(cc1CCN(C2)Cc3ccc(OCC)cc3C)C(C)NC(C)=O	2162
+c1cc(ccc1)CN(C)Cc2ccc([N+](=O)[O-])c(c2)OC	2162
+c1cc(ccc1F)C(c2ccc(cc2)F)C3C(CCN(Cc4c(OC)c(cc(Br)c4)Br)C3)=O	2163
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CN3CCCC3=O)cc1)Br)CC	2164
+C1CCC1N(Cc2ccc(cc2)N3CCN(CC3)C(C)=O)S(=O)(=O)Cc4ccccc4	2165
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)CN2CCOc3ccc(cc23)C=O	2166
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(OC)=O)CN3C(=O)c4ccccc4C3=O)[N+]([O-])=O	2167
+FC(F)(F)c1c(c(CN2C(C(=CN(C2=O)c3ccc(cc3)N4CCOC4=O)C#N)=O)ccc1)C	2168
+FC(F)(F)C1(CC1)C(=O)NCc2cc(F)c(c(c2)[N+](=O)[O-])Cl	2169
+FC(F)(F)c1c(Nc2ccc(cc2)CNC(=O)C3(CCOC3)NC(=O)c4cc(cnc4)N)ccc(OC)c1	2169
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C	2169
+c1cc(ccc1C=2C=CC(N(N=2)Cc3cc(NC(OCC)=O)ccc3)=O)CNC(CNC(C)=O)=O	2169
+c1cc(ccc1C(NCc2c3c(nc(cc3)NCc4oc(C)cc4)ccc2)=O)F	2170
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	2171
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	2172
+c1ccccc1COC(NC2CCN(C3C(CC(CC3)NCc4ccc(cc4)OC)NC(C)=O)C2=O)=O	2173
+c1cc(ccc1)-c2nc3c(cc(OC)c(c3)CNC4C(NCCC4)c5ccccc5)s2	2174
+C1CC1NCc2ccc(cc2OC(CC=C)C)C	2175
+O=S(=O)(Nc1ccc(cc1)CNC2c3ncccc3CCC2)c4ccccn4	2175
+c1cc(CNC)cc([N+]([O-])=O)c1OC	2175
+c1cc(ccc1)-c2nc3c(cc(OC)c(c3)CNC4C(NCCC4)c5ccccc5)s2	2175
+CCCN(CCC)CCCCN1CCc2c(ccc(CNCc3n(ccn3)C)c2)C1	2176
+C1CC1NCc2c(Cl)ccc(c2)CCNC(C)=O	2177
+CCCN(CCC)CCCCN1CCc2c(ccc(CNCc3n(ccn3)C)c2)C1	2177
+FC(F)(F)c1ccc(cc1)CNCc2cc(ccc2Br)OC	2178
+c1ccccc1CCNCc2c(OCCCN3CCOCC3)c(OC)ccc2	2179
+c1ccccc1CCNCc2cc(OC)ccc2OCCCN(C)C	2179
+FC(F)(F)C(CC)(O)c1nnc(o1)NCc2ccn3c(cc(C(OCC)=O)c3-c4ccc(cc4)F)c2	2180
+c1cc(ccc1)Oc2ncccc2NCc3c(O)cccc3	2181
+c1(cc(C)c(OC)c(c1)CNc2c(c(ccc2F)O)F)-c3cc(F)ccc3	2182
+c1c2c(cc(c1)CNc3c4ccccc4nc(c3)C)N(c5c(nccn5)S2)COC	2183
+CC1(C)C(C)(C)OB(O1)c2c(CNc3ccccc3)ccc4ccccc24	2184
+CC1(C)OB(OC1(C)C)c2c(CNc3ccccc3C)cccc2C	2184
+c1cc(c(CNc2cc(c(Cl)cc2)NC3=C(C(=O)CCC3)C)cc1)C	2185
+ClC(Cl)=C(Cl)c1cc(CN=[N+]=[N-])cc(C)c1	2186
+[N-]=[N+]=NCc1ccc(c(c1)F)C#N	2187
+c1cc(ccc1Oc2cc(ccc2)CN)OC	2188
+CC(C)(C)OC(N1CCC(CC1)Nc2ccccc2CN)=O	2189
+C(c1cc(C#N)cc(-c2onc(n2)-c3ncccc3)c1)N	2190
+c1ccccc1COc2cc(COC3OCCCC3)ccc2I	2191
+c1(Cl)cncc(Cl)c1COC2OCCCC2	2192
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(Br)cc(c3OC)C)=O	2193
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(Br)cc(c3OC)C)=O	2194
+C[Si](C)(C)CCOCOc1c2ccccc2cc(c1)COC3C(c4ccc(cc4)F)CCN(C3)Cc5ccccc5	2195
+c1c(C)c(c(cc1COC)C)Oc2nc(cc(NC(CC)CC)c2C)C	2196
+Cc1cccc(C)c1-c2c(C)c(COS(=O)(=O)C)ccc2	2197
+CC(C)(C)OC(COc1ccc(cc1COS(=O)(=O)C)Cl)=O	2198
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1OCCCCCCC)Br	2199
+C(C)c1cc(cc(CC)c1-c2cc(COc3cc4OCC(CC(OC)=O)c4cc3)ccc2)OCCCS(=O)(=O)C	2200
+c1cc(ccc1OCC)COc2cc(C=O)ccc2	2200
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4nc(-c5cc(C#N)ccc5)oc4C)cc3)OC)n2	2201
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4nc(-c5cc(C#N)ccc5)oc4C)cc3)OC)n2	2202
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4nc(-c5cc(C#N)ccc5)oc4C)cc3)OC)n2	2203
+O(Cc1c(Cl)ccc([N+]([O-])=O)c1)c2cccnc2	2204
+CC(C)(C)OC(N1CCCC(c2cc(-c3c(cccc3O)OCc4ccc(cc4)C)nc(N)n2)C1)=O	2205
+C1CC(CCC1)Cn2c3cc(c(F)cc3nc2-c4c(OCc5ccc(cc5)OCC(OC)=O)cc(Cl)cc4)F	2206
+c1cc(ccc1-n2ccc3ccccc23)OCc4ccc(cc4)C#N	2206
+C1CC(CCC1)c2ccc(cc2C#N)COc3ccc4c(c5CCC(c5[nH]4)CC(OCC)=O)c3	2207
+c1cc(ccc1COc2cc(I)cc(Br)c2)OC	2207
+CC(C)(C(=O)OCC)c1ccc(cc1)OCc2ccccc2C(OCC)=O	2208
+C1CC(CCC1)c2ccc(cc2C#N)COc3ccc4c(c5CCC(c5[nH]4)CC(OCC)=O)c3	2209
+c1ccc(OCc2nc3c(cccc3)cc2)cc1COc4cc(ccc4)C#N	2209
+c1(c(cc(C#N)c(c1)F)F)COc2cc(c(Cl)cc2)Cl	2210
+c1(c(cc(C#N)c(c1)F)F)COc2cc(c(Cl)cc2)Cl	2211
+CC(C)(C)OC(NC(C(=O)N(c1ccc(cc1)OC)C)Cc2cccc(CO)c2)=O	2212
+C1CC(CCC1)c2ccc(cc2C#N)CO	2213
+CC(C)(C)CN1C(N(C)c2nc(-c3c(C)ccc(CO)c3)ccc12)=O	2213
+C1CC1C(Oc2cc(ccc2)CO)C	2214
+CC(C)(C)OC(=O)N(C)Cc1cn(S(=O)(=O)c2cnccc2)c3c1ccc(c3)CO	2214
+Cc1cc(cc(C)c1Nc2nc3cc(cc([N+](=O)[O-])c3s2)CO)C	2214
+FC(F)(F)c1cc(CO)cc(-n2nnnc2C)c1	2214
+c12c(cc(cc1sc(Br)n2)CO)F	2214
+c1c(cc2c(OC(C)C(=O)N2)c1)CO	2214
+c1cc(ccc1F)CCc2ccc(cc2C(OC)=O)CO	2214
+c1c(OC)c(c(cc1-c2nccc(CO)c2)OC)Cl	2215
+C(O)c1c(F)ccc(I)c1C	2216
+CC(C)c1cccc(C(C)C)c1CO	2216
+Cc1cc(cc(C)c1OC)CO	2216
+Nc1cc(c(CO)cc1Cl)OC	2216
+c1c(OC)c(Cl)ccc1CO	2216
+FC(F)(F)c1cc(cc(c1)COS(=O)(=O)C)-n2c(C)nnn2	2217
+FC(F)(F)c1c(C)nc(cc1)Oc2cccc(CP(OCC)(OCC)=O)c2	2218
+C1CN(CCN1c2ccc(CSc3nc(C)cc(O)n3)c(Cl)c2)CC	2219
+C1CN(CCN1c2ccc(CSc3nc(C)cc(O)n3)c(Cl)c2)CC	2220
+C1CC(CCN1C)c2nc(nc(c2C#N)O)SCc3cc(C)ccc3C	2221
+c1cc(ccc1Cc2c(C)cc(cc2)OC)C	2222
+c1cc(ccc1)CN2c3cc(ccc3OCC2)Cc4c(C(C)C)ccc(Br)c4	2223
+c1ccccc1CN2CCCc3c2cc(Cc4c(C(C)C)ccc(Br)c4)cc3	2223
+c1cc(ccc1)Cc2cc(OC)c(c(c2)Br)OCCOC	2224
+CC(C)(C)OC(Nc1cc(C)c(c(C)c1)Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)=O	2225
+c1cc(ccc1Cc2ccccc2OCc3ccccc3)SC	2225
+c1(ccc(Br)c(Cc2cc3c(OCCO3)cc2)c1)I	2226
+c1(ccc(Br)c(Cc2cc3c(OCCO3)cc2)c1)I	2227
+O(c1c(Cc2cc3c(s2)cccc3)cc(Br)c4c1cccc4)C	2228
+FC(F)(F)Oc1ccc(cc1)Cc2cc(ccc2Cl)Br	2229
+c1(cc(cc(OC)c1OC)Cc2ccc(cc2)OC)OC	2229
+C1COCCN1c2cc3c(nc(C)n3Cc4cccc(C)c4F)c(C(=O)OC)c2	2230
+FC(F)(F)c1c(c(Cn2c(nc3c2cc(N4CCOCC4)cc3C(OC)=O)C(F)F)ccc1)C	2231
+FC(F)(F)c1c(C)c(Cn2c3c(c(cc([N+](=O)[O-])c3)Br)nc2CF)ccc1	2232
+CC(C)(C)OC(=O)c1ccc(Cn2cc(C=O)c3c2cc(cc3)CC(NCC4CCCC4)=O)c(OC)c1	2233
+c1cc(ccc1)S(=O)(=O)C(=Cc2cc(-c3ncn(C)c3-c4ccc(cc4OCC5CC5)F)ncc2)C#N	2234
+c1cc(ccc1)S(=O)(=O)C(=Cc2cc(-c3ncn(C)c3-c4ccc(cc4OCC5CC5)F)ncc2)C#N	2235
+FC(F)(F)c1ccc(C=CC(=O)OC)c(OCC)c1	2236
+C1CN(CCN1c2cccc(Cl)c2)CCC=Cc3ccc4c(c3)CCC(N4)=O	2237
+c1cc(ccc1O)C=NNc2nnc(Cl)c(C3CCC3)c2	2238
+c1cc(ccc1O)C=NNc2nc3cc(-c4ccccc4)nn3c(N5CCOCC5)c2	2239
+c1(C)cc(ccc1[N+]([O-])=O)C=NO	2240
+CC(C)(C)OC(=O)N(C)Cc1cc(F)c(C=NO)cc1	2241
+CC1(C)c2cc(c(F)cc2B(O)O1)C=NO	2242
+FC(F)(F)C1(CC(C)(C)c2c(C=O)cccc2)OC1	2243
+C1CC1COc2c(-c3c(-c4nccc(C=O)c4)ncn3C)ccc(c2)F	2244
+Clc1cc(N)c(cc1)C=O	2244
+O=Cc1c(N)cccc1OC	2244
+c12c(F)cc(C=O)cc1sc(Br)n2	2244
+c12c(F)cc(C=O)cc1sc(Br)n2	2245
+CC(C)n1c2cc(C=O)ccc2nn1	2246
+FC(F)(F)c1ccc(C=O)c(c1)OCC	2246
+CCCN(CCC)CCCCN1CCc2cc(C=O)ccc2C1	2247
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2cc(C=O)c(Cl)cc2	2247
+O=Cc1c2c(cc(CCOC)c1)cccc2	2247
+O=S(=O)(N(c1cccc(c1)C=O)Cc2cccnc2)CC	2247
+c1(cc(cc(C)c1OC)C=O)C	2247
+c1ccccc1-c2sc3c(cc(C=O)c(OC)c3)n2	2247
+c1(cc(c(C)cc1)Br)C=O	2248
+c1cc(ccc1NS(=O)(=O)C)C=O	2248
+c1(C=O)cc2c(C(=O)OC)nn(-c3cccc(c3)Br)c2cc1	2249
+c1ccccc1C(c2cc(c(N3CC(C)OC(C3)C)c(c2F)F)C=O)=O	2250
+O=Cc1cc(ccc1Cl)CCNC(C)=O	2251
+CC(C)(C)OC(COc1c2c(C(CCC2)NS(=O)(=O)c3ccc(cc3)-c4ccccc4)ccc1)=O	2252
+FC(F)(F)c1cc2N(CCCC(c2cc1C)N=[N+]=[N-])C(=O)OC(C)(C)C	2253
+FC(F)(F)c1c(cc2C(N)CCCN(C(OC(C)(C)C)=O)c2c1)C	2254
+FC(F)(F)c1c(cc2C(N)CCCN(C(OC(C)(C)C)=O)c2c1)C	2255
+C1COCCC1N(c2c(CC=C)c(C(=O)NCc3c(nc(cc3C(CC=C)C)C)OC)ccc2)CC	2256
+c1cc(ccc1CCN(C)C)NC=C2C(Nc3c2ccc(C(=O)c4cc(NC(=O)c5cc(nn5C)C)ccc4)c3)=O	2257
+c1c2c(ccc1OC)C(C(=O)N2)=Cc3c(CCCO)c4c([nH]3)CCCCC4	2258
+C1COCCC1N(c2c(CC=C)c(C(=O)NCc3c(nc(cc3C(CC=C)C)C)OC)ccc2)CC	2259
+O(C(=O)CCCc1ccccc1N(C(c2cc(c(cc2)Cl)Br)=O)C)C	2260
+O(C(=O)CCCc1ccccc1N(C(c2cc(c(cc2)Cl)Br)=O)C)C	2261
+O=S(=O)(c1ccccc1)N(c2cc3c(c(c(-c4ccc(cc4)F)o3)C(=O)OC)cc2Br)C	2262
+C1CN(CCO1)c2cccc(Oc3cc(c(Cl)nc3)F)c2	2263
+C1COCCN1c2ccc3c(c2)N(C(=O)C)CC3(C)C	2264
+FC(F)(F)c1c(c(Cn2c3c(nc2CF)c(Br)cc(c3)N4CCOCC4)ccc1)C	2264
+C1CN(CCN1)c2cccc3n(ccc23)S(=O)(=O)c4c5ccccc5ccc4	2265
+FC(F)(F)c1c(N)c(Cl)cc(N2CCOCC2)c1	2265
+c1cc(ccc1Oc2cc(-c3ccccc3)ccc2N4CCNCC4)OC	2265
+C1CNCCN1c2c3c([nH]c(C(OC)=O)c3)ccc2	2266
+O=S(=O)(N(CCO)c1c(C2CC2)cc3c(nn(-c4ccc(C)cn4)c3C(NC)=O)c1)C	2267
+c1(c(c(N2C(c3ccc(cc3N(C2=O)C)F)=O)ccc1)C)Br	2268
+C(Oc1c2c(C(=O)N(C2=O)c3ccc(cc3)CC(OCC)=O)c(c4c1cccc4)OCC)C	2269
+CC(C)OC(CN1C(N(C(N(C)C1=O)=O)c2c(cc(c(N3C(c4c(C3=O)c(F)ccc4)=O)c2)F)Cl)=O)=O	2270
+c1(c(c(N2C(c3ccc(cc3N(C2=O)C)F)=O)ccc1)C)Br	2271
+N1c2cc(ccc2C(N(C1=O)c3c(c(Br)ccc3)C)=O)F	2272
+c1c(OC)c(ccc1)N2C(=Nc3cccc(Cl)c3C2=O)CCl	2273
+C1(C(N=O)=C(N(C(=S)N1)c2cc(CC)ccc2)N)=O	2274
+C=1(N(C(=S)NC(C=1N)=O)c2cc(CC)ccc2)N	2275
+S=C1N(c2[nH]cnc2C(=O)N1)c3cc(CC)ccc3	2276
+CC(C)(C)OC(=O)NC(C(NC1C(Nc2c(cccc2C1)N3CCCC3=O)=O)=O)CC(C)C	2277
+c1cc(ccc1-c2ccc(cc2C)N3C(CCC3)=O)C(OC)=O	2277
+CC(C)(C)OC(NCC1CN(c2cc3CC(N(CCC)c3c(c2)F)=O)C(=O)O1)=O	2278
+CC(C)(C)OC(NCC1CN(c2cc3CC(N(CCC)c3c(c2)F)=O)C(=O)O1)=O	2279
+O=S(=O)(c1cc(Cl)c(N2CN(CC2=O)c3ccc(cc3)Cl)cc1)N	2280
+O=S(=O)(c1cc(Cl)c(N2CN(CC2=O)c3ccc(cc3)Cl)cc1)N	2281
+CC(C)(C)OC(C(c1ccc(cc1)N2C(=O)c3cc(Br)ccc3C2)C)=O	2282
+CC(C)(C)OC(C(c1ccc(cc1)N2C(=O)c3cc(Br)ccc3C2)C)=O	2283
+C1CN(CCN1c2ccc(C(Nc3c4c(n[nH]3)ccc(Cc5cc(F)cc(c5)F)c4)=O)c(NC6CCOCC6)c2)C	2284
+CC(C)Nc1ccc(cc1)C(C(=O)Nc2ccc(cc2)-c3cc(C)ncc3)C	2284
+O=S(=O)(CCCCC)NC(=O)c1cc(c(NC(=O)C)cc1)N(C)Cc2ccc(Cl)cc2Cl	2285
+c1c(NC(C)=O)ccc2OCc3n(cc(C(=O)OC)n3)-c12	2285
+CC(=O)Nc1cccc(c1)-c2sc(nc2C(=O)OC)C	2286
+CC(C)N1C(=O)C(CC)(CC)c2cc(NC(C)=O)ccc12	2286
+c1(NC(=O)C)c(Cl)cc(F)c(OCC)c1Br	2286
+c1ccc(NC(=O)C)cc1-c2ccnc(n2)NCCc3ccc(c(OC)c3)OC	2286
+c1cc(ccc1NC(=S)N)F	2287
+c1cc(ccc1-c2nc(C)ns2)NC(=S)N	2288
+NC(Nc1cc(ccc1OC)Br)=S	2289
+C(N)(Nc1c(cccc1)OCCC)=S	2290
+CN(C)CCOc1ccccc1NC(=S)N	2290
+C(N)(Nc1c(cccc1)OCCC)=S	2291
+CN(C)CCOc1ccccc1NC(=S)N	2291
+c1ccccc1C(NC(=S)Nc2ccccc2OCCN(C)C)=O	2292
+c1ccccc1C(NC(Nc2ccccc2OCCC)=S)=O	2292
+CC(C)(C)c1nn(C)c(c1Cl)C(Nc2c(c(nc(c2)-c3ccccc3Cl)OC)[N+](=O)[O-])=O	2293
+FC(F)(F)c1c(-c2cc(c(c(n2)OC)[N+](=O)[O-])NC(=O)c3n(nc(c3Cl)C(C)(C)C)C)cccc1	2293
+C1CN(CCC1n2cc(-c3cnc(c(c3)C(Nc4c(O)cc(OC)cc4)=O)N)cn2)C	2294
+CC(C)(C)OC(=O)N(C1CC(CCC1)c2c[nH]c3ccc(NC(=N)c4sccc4)cc23)CC	2295
+c1cc(NC(CC(Nc2ccccc2OC)=O)=O)cc(c1Oc3ccnc4cc(sc34)-c5ncn(CCC)c5)F	2296
+C1(C)CN(CC(C)N1)CC(=O)Nc2cccc(c2C)F	2297
+C1CCCCN1CC(Nc2ccc(cc2)C(=O)N3CC4(CC3CC(C)(C)C4)C)=O	2297
+Clc1cc(cc(Cl)c1N2C=3C(=C(N2)C(C)C)C(=O)N=C(Cc4ccc(cc4)NC(=O)CN5CCNCC5)N=3)Cl	2297
+CC(C)(C)c1cc(c(c(c1)NC(C(=O)c2c3ccccc3c(cc2)OCCN4CCOCC4)=O)OC)Cl	2298
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4c(cc(cc4)NC(=O)C5CCOC5)C#N	2299
+CC1(C)CC2(CC(C1)N(C(c3ccc(cc3)NC(=O)CCl)=O)C2)C	2300
+CC(C)(C)C(=O)Nc1c(ccc(OC)c1)-c2ccccc2	2301
+c1cc(c(cc1Cn2c3cccc(NC(=O)CCl)c3cc2C(=O)OCC)Cl)Cl	2301
+c1cc(ccc1C(C)C)C2=NC(=O)N(c3ccc(cc23)OCC#C)Cc4cc(NC(CCl)=O)ccc4	2301
+c1cc(ccc1CC(NCCN(C)C)=O)NC(=O)CCc2onc(n2)-c3cc4c(cccc4)cc3	2302
+FC(F)(F)c1cc(C#N)ccc1NC(=O)C(C2CCCCC2)n3c(nc4cc(F)c(F)cc34)-c5ccc(cc5)Cl	2303
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)Nc2cc(Cl)c(OCC(OCC)OCC)cc2	2303
+C(OCCCl)CC(Nc1ccc(cc1C)C(=O)OC)=O	2304
+c1cc(ccc1-c2cc(C)ncc2)NC(C(c3ccc(cc3)[N+]([O-])=O)C)=O	2304
+C1C2CC3CC1CC(C2)(C3)C(Nc4ccc5nc(N)sc5c4)=O	2305
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4ccc5[nH]c(cc5c4)C(CO)C	2305
+C1CCCC1CC(Nc2cc3c(cc2)n(cc3Cc4c(cc(C(=O)O)cc4)OC)C(=O)C)=O	2305
+C1COCCN1CC(=O)Nc2cc(ccc2SC)C(Nc3ccc(-c4ccccc4F)nc3)=O	2305
+CC(C)(C)CC1NC(C(C12c3c(cc(cc3)Cl)NC2=O)c4cc(Cl)cc(c4)F)C(Nc5c(cc(cc5)C#N)OC)=O	2305
+CC(C)(C)OC(NC(C(Nc1ccc(cc1)CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O)=O)CC(C)C)=O	2305
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)Nc2cc(Cl)c(OCC(OCC)OCC)cc2	2305
+O=S(=O)(CC)N1CCN(CC1)c2ccc(cc2)NC(C3CCc4cc(OC)cc(N5CCN(CC5)C)c4O3)=O	2305
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5c(ccc(c5)NC(=O)CN(C)C)C)=O)n2	2305
+c1cc(ccc1C(C)(C)C(Nc2cc(ccc2)OCCOC)=O)S(=O)(=O)C=CC#N	2305
+C1CC(CCC1)C(=O)Nc2cc(ccc2)CCN3CCN(CC3)c4cccc5c4ccc(C)n5	2306
+C1CN(CCN1c2c(OC)cncn2)CCCc3c4cc(NC(CCCCl)=O)ccc4[nH]c3	2306
+c1ccccc1C(CC)C(Nc2ccc(c(C(=O)N)c2)I)=O	2306
+CC(C)(C)OC(N(c1c(NC(COc2ccc(cc2)CC3SC(=O)NC3=O)=O)ccc(SC)c1)C)=O	2307
+CC(C)(C)[Si](C)(C)OCC(C(=O)OC)N1C(c2cccc(c2C=C1)NC(C(C)c3ccc(cc3)Cl)=O)=O	2307
+CC(C)(C)[Si](C)(C)Oc1cc(c(cc1)N2C(=O)c3ccccc3C2=O)NC(C4CCN(CC4)c5ccncc5)=O	2307
+CC(C)(CO)c1n(c2cc(F)c(cc2c1)NC(=O)C3(CC3)c4cc5OC(F)(F)Oc5cc4)CC6OC(C)(C)OC6	2307
+c1cc(ccc1)C(c2ccccc2)C(Nc3ccc(cc3)S(=O)(=O)N(CC)CC)=O	2307
+c1cc(ccc1Oc2ccccc2)CC(Nc3cc4c(nn(c4)CCN(C)C)cc3)=O	2307
+C1C(Nc2c1ccc(OC)c2)=O	2308
+CC(C)(C)OC(=O)NCc1ccc(cc1)NC(=O)CCc2cccc3c2B(O)OC3	2309
+c1cc(ccc1F)CC2CN(CCC2)C3CCC4CN(CC34)C(=O)Nc5cc(-c6n(nnn6)C)cc(CC)c5	2310
+CC(C)(C)c1ccc(cc1)NC(N2C3CN(CC2CC3)c4ncccc4Cl)=O	2311
+C1CC(CCC1)N(C(=O)Nc2c(cc(cc2)C(=O)OC)C)c3c4ccccc4nn3-c5ccccc5	2312
+C1CCCC1NC(Nc2ccc(cc2)-c3nn(CC)cc3-c4c5cc[nH]c5ncc4)=O	2313
+c1c(OC)cc(cc1NC(=O)NC(CCN2CC(C2)Oc3ccc(cc3)Cl)CO)OC	2314
+CC(C)(C)OC(N1CCC(CC1)NC(=O)Nc2c(c(c(cc2I)C)F)F)=O	2315
+c1cc(ccc1-c2nnnn2C)NC(=O)NCCCN3CC(CCC3)Cc4ccc(cc4)F	2316
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(NCCO)=O)=O	2317
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(NCCO)=O)=O	2318
+c1cc(ccc1-c2nnnn2C)NC(=O)NCCCN3CC(CCC3)Cc4ccc(cc4)F	2318
+CC(C)(C)CCNC(Nc1cc(c(Br)cc1F)-c2c(nc3c(cnc(SC)n3)c2)C)=O	2319
+c1ccccc1COC2CCCCC2NC(Nc3c(c(S(=O)(=O)N)c(Cl)cc3)O)=O	2320
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	2321
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	2322
+CC(C)(C)c1cc(n(n1)-c2ccccc2)NC(=O)Nc3cc(Oc4c5cc(OC)c(cc5ncn4)OCCOC)ccc3	2323
+FC(F)(F)c1nn(-c2ccccc2)c(c1)NC(=O)Nc3cccc(Sc4ncnc5cc(OC)c(cc45)OC)c3	2323
+CN(C)CCCOc1ccc(Cl)cc1NC(Nc2ncc(C#N)nc2)=O	2324
+CC(C)(C)c1c(Oc2c(NC(Nc3ccc(cc3)C)=O)cc(cc2)Br)cccc1	2325
+CN(C)CCNc1ncc2C=C(C(=O)N(c2n1)OC)c3cc(NC(=O)Nc4cc(c(cc4)OC)Cl)ccc3Cl	2325
+c1cc(ccc1NC(Nc2c(cc(Cl)c3ccc(OC(=O)C)cc23)Cl)=O)CCC	2326
+c1cc(ccc1N(CCCl)CCCl)NC(=O)Nc2cccc(c2)NC(CCN(C)C)=O	2327
+c1cc(ccc1)NC(=O)Nc2c(cc(c(C=3C(=O)N(c4c(cnc(NC(CC#N)=O)c4)C=3)CC)c2)F)F	2328
+CC(C)S(=O)(=O)c1ccc(NC(=O)N(C)C)cc1C#N	2329
+CC(C)(C)OC(Nc1c(cc(cc1)OCC)C)=O	2330
+CC(C)(C)OC(Nc1ccc(c(-c2ccc(cc2C)C(=O)CC)c1)C)=O	2331
+CC(C)OC(Nc1c(C(OC)=O)ccc(Br)c1)=O	2332
+O=S(=O)(Nc1ccc(F)c(NC(=O)OC)c1)CC	2332
+c1cc(ccc1-c2nn(CC)cc2-c3c4cc[nH]c4ncc3)NC(=O)OC	2332
+C1CCCC1OC(=O)Nc2cc3c(cn(C)c3cc2)Cc4ccc(C(=O)OC)cc4OC	2333
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(=O)Oc5ccccc5)=O	2333
+CC(C)(C)[Si](C)(C)OCCc1cc(cc(F)c1N(Cc2ccccc2)C)NC(=O)OCc3ccccc3	2333
+CC(C)(C)c1cc(c(OC)c(CO)c1)NC(=O)OCC(Cl)(Cl)Cl	2333
+c1cc(ccc1)OC(=O)Nc2cc(-c3n(nnn3)C)ccc2	2333
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)-c3nnnn3C	2333
+ClC(Cl)(Cl)COC(=O)Nc1ccc(cc1)C(N(C)C)=O	2334
+n1c(c2occc2nc1Cl)Nc3cc([nH]n3)C(Nc4cccc(OC)c4)=O	2335
+c1(cc(Cl)cc(c1NC(c2n(-c3c(Cl)cccn3)nc(Br)c2)=O)Cl)NC(=O)OC	2336
+CN(C)CC1Cc2ccc(cc2CC1)NC(c3[nH]cc(-c4ccc(cc4)Cl)c3)=O	2337
+c1cc(ccc1S(=O)(=O)N2CCC(C)(C)CC2)NC(c3ccc([N+](=O)[O-])o3)=O	2338
+c1cc(ccc1)C(=O)c2ccc(C(=O)Nc3cccc(c3)C=CC(OCC)=O)o2	2339
+c1cc(ccc1)C(=O)c2ccc(C(=O)Nc3cccc(c3)C=CC(OCC)=O)o2	2340
+Cc1cc(cc(C)c1NC(=O)c2sccc2NS(=O)(=O)c3ccccc3)C	2341
+CC(C)C(N1CCN(CC1)c2ccc(NC(c3ncccc3)=O)cc2Cl)=O	2342
+C1C2(CC1)C(=N)NC(CS2(=O)=O)(c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F)C	2343
+CC(C)(C)OC(=O)N=C1NC2(c3c(F)ccc(NC(=O)c4ccc(cn4)Cl)c3)C(CCS1)C2	2343
+c1cc(ccc1OC(F)(F)C)NC(=O)c2cc(c(nc2)Cl)Br	2344
+FC(F)(F)c1ccccc1C(Nc2cc(c3c([nH]cn3)c2)C(=O)Nc4c(c(Cl)ccc4)C)=O	2345
+c1(Cl)c(C(Nc2c(cc(C)cc2)O)=O)cc(Cl)s1	2346
+FC(F)(F)c1ccc(cc1)C(=O)Nc2ccc(cc2)Cc3c4c(n(c3C)CC(OCC)=O)cccc4	2347
+FC(F)(F)c1ccccc1C(Nc2cc3c(c(c2)C(OC)=O)nc[nH]3)=O	2347
+c1cc(ccc1NC(c2ccccc2)=O)Cc3cn(C)c4ccc(C(=O)OC)cc34	2347
+FC(F)(F)Oc1cc(ccc1)C(=O)Nc2c(cc(Cl)c(Oc3c(C#N)c4sc(NC(=O)C5CC5)nc4cc3)c2)F	2348
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2c(NC(c3sc(cc3)Cl)=O)cncc2)=O	2349
+CC(C)(C)c1nc(cc(c1)C(=O)Nc2ccc(c(-n3ccn4c3cc(-c5cccnc5)n4)c2)C)Cl	2349
+O(C(=O)CCCc1ccccc1NC(c2ccc(Cl)c(Br)c2)=O)C	2350
+c1cc(ccc1)COc2c(C(Nc3c(C)cccc3)=O)cc(c(OCc4ccccc4)c2)Br	2350
+CC1(C)C(C)(C)OB(O1)c2c(C)c(cc(F)c2)NC(c3c(cc(C4CC4)cc3)F)=O	2351
+C1CCCN1c2c(c(nc(Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)n2)C)CC(OC)=O	2352
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(OCc3ccccc3)ccc2NC(c4c5ccccc5ccc4)=O	2353
+CN(C)c1nc(nc(N(C)C)c1CC(OC)=O)Cc2ccc(cc2)NC(c3ccc(cc3)C(F)(F)F)=O	2353
+c1c(Cl)c(c(cc1)Cl)C(=O)Nc2ccc(cc2)CC(C(OC)=O)NC(c3c(cccc3Cl)C)=S	2353
+c1c(Cl)c(c(cc1)Cl)C(Nc2ccc(cc2)CC(NC(=S)C3(CCCC3)CCCCS(=O)(=O)C)C(=O)OC)=O	2353
+c1cc(ccc1C(Nc2ccc(cc2)C3Nc4c(CC3(C)C)cc(C(=O)OC)cc4)=O)F	2353
+c1ccccc1C(=O)Nc2ccc(cc2)CN3CC=C(CCC(OC)=O)C3=O	2353
+C1CN(CCN1c2cccc3nc(C)ccc23)CC(C)c4cc(NC(=O)c5c(F)cccc5)ccc4	2354
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc3c(nc(s3)-c4ccccc4NC(c5cccc(-c6[nH]nnn6)c5)=O)c2	2354
+CC(C)(C)OC(n1c2c(cn1)ccc(c2)NC(=O)c3ccccc3O)=O	2354
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2c(NC(c3sc(cc3)Cl)=O)cncc2)=O	2354
+c1(cccc(NC(CCC)=O)c1)NC(=O)c2cccc(Cl)c2	2354
+c1cc(ccc1OCc2nccc(c2)Cl)C(=O)Nc3cc(ccc3C)-c4ncc[nH]4	2354
+FC(F)(F)c1cc(cc(c1)CNC(C)C)C(=O)Nc2cc(c(C)cc2)Nc3cc(nn3-c4ncnc(NC)c4)C	2355
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5cc([N+]([O-])=O)ccc5C)=O)n2	2356
+CC(C)(C)c1sc2c(n1)cc(c(NC(N3CCCCC3)=S)c2)N4CCN(CC4)C	2357
+CC(C)(C)c1sc2c(n1)cc(c(NC(N3CCCCC3)=S)c2)N4CCN(CC4)C	2358
+CC(C)(C)OC(N1CCc2ccc(c(C)c12)NC(NCCN)=S)=O	2359
+CC(C)(C)OC(N1CCc2ccc(c(C)c12)NC(NCCN)=S)=O	2360
+FC(F)(F)c1c(NC(Nc2ccc(c(S(=O)(=O)N(C)C)c2O)Cl)=S)cccc1	2361
+c1cc(ccc1NC(Nc2ccc(cc2)C#N)=S)NNC=O	2362
+c1ccccc1C(=S)Nc2c(Cl)c(ccc2)C	2363
+FC(F)(F)C(=O)NCC#Cc1cc(NCC2(CCCCC2)O)ccc1	2364
+CC(C)(C)OC(NCC(CNc1cc(c2c(CC(=O)N2CCC)c1)F)O)=O	2365
+O=S(=O)(c1ccc(cc1)NCC2CCCC2)C	2366
+CC(C)(C)OC(=O)NC(C)(C)CNc1c(C)cccc1	2367
+c1ccccc1COc2ccc(cc2)CCCNc3ccc(cc3)C(OCC)=O	2367
+FC(F)(F)c1cc(c(cc1)-c2ncnc(Oc3c4c(ccc3)sc(NC(C)=O)n4)c2)NCC5CCCCC5	2368
+CC(C)CNc1cc(ccc1NC(=O)COc2cc(ccc2)OCC)O	2369
+c1cc(ccc1)S(=O)(=O)NC(=O)c2cc(c(NC(C)=O)cc2)NCc3ccc(cc3)OCc4ccccc4	2370
+c1cc(ccc1C(C)C)C(=O)c2cc(OCC#C)ccc2NCc3cc(ccc3)[N+](=O)[O-]	2370
+c1ccccc1CCNc2c(cc(cc2S(=O)(=O)N)C(O)=O)NCc3ccccc3	2370
+FC(F)(F)c1cc(c(CNc2cc(c(cc2)-c3ccc(cc3C)Cl)Cl)cc1)Br	2371
+FC(F)(F)c1cc(-c2c(cc(cc2)NCc3c(cccc3F)F)F)n(C)n1	2372
+c1cc(ccc1NC=C2C(Nc3c2ccc(C(=O)c4cccc(c4)NC(c5sccc5)=O)c3)=O)C(=O)O	2373
+CC(C)(C)NS(=O)(=O)c1cc(ccc1S(=O)(=O)CC)NC=O	2374
+FC(F)(F)c1ccccc1-c2nc(O)c3cc(ccc3c2)NC(CNCCO)=O	2375
+c1cc(ccc1NCC(=O)Nc2c(Cl)cc(S(=O)(=O)N)cc2)Cl	2376
+O=S(=O)(Nc1ccc(c(CN(C(=O)OCc2ccccc2)CC)c1)-c3c(OC)ccc(c3)CC(OCC)=O)C	2377
+c1cc(ccc1-c2c(c3cc(Br)c(cc3o2)NS(=O)(=O)C)C(OCC)=O)F	2377
+C1CN(CCC12Oc3c(C(=O)C2)cc(NS(=O)(=O)C)cc3)C	2378
+C1CN(CCN1C(C)=O)c2ccc(NS(=O)(=O)C)c(c2)C	2378
+CC(C)(C)C1C(=C(C=2N=S(C)(c3cc(ccc3N=2)NS(=O)(=O)C)=O)C(N1Cc4cc(Cl)c(cc4)F)=O)O	2378
+CC(C)(C)OC(=O)N(Cc1cc(c(-c2ccc(cc2)NS(=O)(=O)C)cc1)C)CCC(C)C	2378
+CC(C)(C)OC(NCc1cccc(NS(=O)(=O)C)c1)=O	2378
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(CCC2)Cc3ccc(cc3)NS(=O)(=O)C	2378
+CC(C)(C)c1ccc(cc1)CN2c3c(N(Cc4ccc(cc4)NS(=O)(=O)C)C2=O)cccc3	2378
+O=S(=O)(C)Nc1ccc2c(c1)C3=NC=C(C(OCC)=O)C(=O)N3C=C2C	2378
+O=S(=O)(Nc1ccc2n(CC(OCC)=O)c(cc2c1)C)C	2378
+c1cc(ccc1Cl)-n2c(c3c(n2)cc(NS(=O)(=O)C)c(C4CC4)c3)C(=O)NC	2378
+CC1(C)C(=C(c2ccc(cc2)F)c3c(O1)cc(cc3)NS(=O)(=O)C)F	2379
+FC(F)(F)S(=O)(=O)Nc1cc(c(C)cc1C)N2C(CC2)=O	2380
+O=S(=O)(c1c(CC2CN3CCC2CC3)cc(F)cc1)Nc4ccc5c(c4C(=O)OC)OCC6CC56	2381
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C3C4C(CN(C(=O)CC)C4)C3	2382
+O=S(=O)(Nc1ccc2c(c(C(=O)C)c[nH]2)c1)c3ccccc3	2382
+O=S(=O)(Nc1n[nH]c2ccc(NS(=O)(=O)c3cc(F)ccc3)cc12)C	2382
+O=S(=O)(c1c(Cl)cccc1)Nc2cccc(c2)OCCc3ccc(cc3)C#N	2382
+O=S(=O)(c1ccccc1)Nc2c(Br)cc3c(C(=O)OC)c(-c4ccc(cc4)F)oc3c2	2382
+C1CCCC1c2n3N=C(NC(=O)c3c(C)n2)c4cc(NS(=O)(=O)c5cc(C#N)ccc5)ccc4OCCC	2383
+FC(F)(F)C(NC1C2N(CCC1)c3c(cc(NS(=O)(=O)c4ccccc4)c(Cl)c3)Oc5ccccc25)=O	2383
+FC(F)(F)Oc1cc(ccc1)S(=O)(=O)Nc2cc(c(cc2)OC)C3CN(CC3)C(=O)CC	2383
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)NS(=O)(=O)c4ccc(cc4)C(C)C	2383
+C1CN(CCO1)c2nc(-c3c(c(ccc3)NS(=O)(=O)c4c(F)ccc(c4)F)F)c(-c5ccnc(n5)Cl)s2	2384
+c1c(Cl)c(c(cc1)Cl)Nc2ccccc2CS(=O)(=O)NCCOCCO	2385
+COc1cc(cc(OC)c1OC)Nc2ncnc(Nc3cccc(NC(=O)C=C)c3)n2	2386
+S(C)(Cc1cccc(c1)Nc2nc(ncn2)Cl)(=O)=NC(OCC)=O	2387
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(c(cc2)C)-c3cc(ccc3)Nc4ncccc4Br	2388
+FC(F)(F)c1ccc(Sc2ccc(cc2)NC(=O)C)c(Nc3c4c(ncc3)nc(C)cc4)c1	2389
+FC(F)(F)c1ccc(Sc2ccc(cc2)NC(=O)C)c(Nc3c4c(ncc3)nc(C)cc4)c1	2390
+c1c(cccc1O)Sc2c(cc(C)cc2)Nc3ccnc4nc(C)ccc34	2390
+c1cc(ccc1)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	2390
+c1cc(ccc1O)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	2390
+c1c(cccc1O)Sc2c(cc(C)cc2)Nc3ccnc4nc(C)ccc34	2391
+c1cc(ccc1)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	2391
+c1cc(ccc1O)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	2391
+FC(F)(F)c1ccc2c(ccnc2c1)Nc3ccc(cc3)S(=O)(=O)N4CCN(CC4)c5cc(CCC)cc(CCC)c5	2392
+c1nc2c(c(Nc3cc(c(Cl)cc3Cl)OC)c1C#N)cc4cc(c(OCCCl)cc4c2)OC	2393
+c1nc2cc3cc(c(OC)cc3cc2c(Nc4cc(c(Cl)cc4Cl)OC)c1C#N)O	2393
+c1cc(ccc1C(C)(C)C#N)Nc2c3c(ccc(Br)c3)ncc2[N+](=O)[O-]	2394
+c1cc(ccc1-c2cncc(n2)Nc3ccc(C(=O)O)cc3OC)O	2395
+c1cc(ccc1Nc2nc(C(N)=O)c(NC(=O)c3ccc(cc3)F)s2)OC	2396
+COc1cc(ccc1Cl)Nc2scc(n2)C(=O)O	2397
+C1CN(CCN1C)c2ccc(cc2)Nc3nc(c(C(c4cc5OCOc5cc4)=O)s3)N	2398
+CC(C)(C)OC(NCCCn1c(Nc2cc(OC)c(c(OC)c2)OC)nc3c1cc(cc3)C(OC)=O)=O	2399
+O=S(=O)(Cc1cc(Nc2nc(c(cn2)F)-c3c(cc(c(F)c3)F)F)cc(c1)F)CCC	2400
+O=S(=O)(c1c(Nc2nc(Nc3c(OC(C)C)cc(c(Br)c3)C)ncc2C)cccc1)C(C)C	2400
+c1cc(ccc1C2c3c(c(N4CCC(CC4)(O)C)nc(Nc5ccc(c(OC)c5)-n6cc(nc6)Cl)n3)CC2)F	2400
+c1cc(ccc1Cl)C2c3nc(nc(c3CC2)N(C)C)Nc4cc(OC)c(cc4)-n5cc(nc5)Cl	2400
+C1CC(CCN1c2cc(OC)c(Nc3nc(c4c(n(C5OCCCC5)cn4)n3)NC6CCCCC6)cc2)N7CCCC(C7)O	2401
+FC(F)(F)c1c(Cl)nc(nc1)Nc2ccc(cc2)C(=O)OCc3ccccc3	2401
+c1cc(ccc1C2c3c(CC2)c(N4CC(F)(F)C4)nc(Nc5ccc(-n6cnc(Cl)n6)c(OC)c5)n3)F	2401
+Cc1cc(cc(C)c1S(=O)(=O)N)Nc2nc(c(Br)cn2)NC(CO)C	2402
+c1cc(ccc1N2CCN(CC2)C)Nc3nc4N(Cc5ccccc5Br)C(=O)C=Cc4cn3	2403
+c1cc(ccc1N2CCN(CC2)C)Nc3ncc4C=C(C(=O)N(Cc5c(F)cccc5C6CC6)c4n3)Br	2403
+CC(C)(C)OC(=O)n1c(cc2ccccc12)-c3cnc(Nc4cc(ccc4)O)o3	2404
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	2405
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	2406
+C1COCCN1c2c(C)cc(Nc3ncnc4c3cc(cc4)I)cc2	2407
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	2408
+n1c(ccnc1Cl)Nc2ccc3n(C)c(nc3c2)N	2409
+C1CC(CCN1C)Oc2cccc3ncnc(c23)Nc4ccc(c(C)c4)O	2410
+Clc1ccc(N=C=S)cc1-c2c(cncc2)F	2411
+N(=C=S)c1c(c(ccc1Cl)OC)Cl	2411
+OB(O)c1cc(cc(C(O)=O)c1)N=C=S	2411
+c1cc(ccc1CC(=O)OC)Oc2cc(N=C=S)ccc2	2411
+CC(C)(C)c1sc2c(n1)cc(N3CCN(CC3)C)c(c2)N=C=S	2412
+CC(C)(C)OC(N1c2c(CC1)ccc(N=C=S)c2C)=O	2413
+C1COCCN1CC2COc3c(cccc3)N2N	2414
+FC(F)(F)c1ccc(O)c(NC(=O)c2ccncc2I)c1	2415
+c1c(OC)cc(cc1NC(c2c(cccc2F)F)=S)OC	2416
+O=S(=O)(N)Nc1cccc(OCC2CN(C(CC(C)C)=O)CCC2)c1C#N	2417
+O=C(OCC)C(Oc1cc(ccc1)Oc2ccccc2[N+]([O-])=O)C	2418
+C1CC(CCO1)Oc2ccc(cc2C=O)I	2419
+CC(C)(C)OC(=O)N1CCC(Oc2ccc(cc2)F)C1	2419
+C1COCCC1Oc2cccc3C(=O)c4c(CCc23)cc(cc4)Cl	2420
+c1cc(ccc1)-c2c(cc(cc2)-c3nc4cc(c(OC(C)=O)cc4c(O)n3)OC)F	2421
+c1ccccc1C(=O)c2c(OC(=O)C)cc3c(CCC3C(OC)=O)c2	2421
+c1c(OC)c(c(cc1C)OC)OC(=O)C(C(C)OC)Br	2422
+C1CC1(Oc2cc([N+](=O)[O-])c(cc2Cl)F)C(=O)OCC	2423
+C1CCCC1CC(C(OC)=O)N2C(C=C(Oc3c(C)ccc(C)c3C)C=N2)=O	2424
+CC(C)(C)OC(NCC=1N(C(=O)c2c(cc(OCC(N)=O)cc2)C=1c3ccccc3F)CC(C)C)=O	2425
+C[Si](C)(C)CCOCn1c(-c2ccc(cc2)OCC(Nc3ccc(cc3)C#N)=O)nc4N=CN(C(=O)c14)CCC	2426
+CC(C)(C)OC(=O)COc1ccccc1CC(c2c3ccccc3n(CCCCC)c2)=O	2427
+CCC(c1cccc(OCC(OCC)=O)c1)=O	2428
+c12c(Cl)cccc1CCCO2	2429
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(OCC)=O)o3	2430
+ClC(Cl)=CCOc1cc(c(OCOC)c(c1)Cl)C	2431
+c1cc(ccc1)C(=O)COc2ccc(cc2C)CC(N)=O	2432
+C(OC(CCc1c2ccc(cc2sc1)OCCc3nc(NC)ccc3)=O)C	2433
+FC(F)(F)c1cc(ncc1)-n2cc(CCCOc3c(OC)cccc3CC(OC)=O)c(C(C)C)n2	2433
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(OCC)=O)o3	2434
+CC(C)(C)OC(N1CC(c2cc(OCC3CC3)ccc2C1)O)=O	2435
+CC(C)(C)[Si](C)(C)OCCOc1c(c(-c2c(F)ccc(n2)C(=O)OC)c(cc1)F)F	2435
+Fc1cccc(F)c1C(Nc2ccn(Cc3ccc(cc3Cl)OCCCCCCCO)n2)=O	2435
+c1ccccc1CCCOc2cc(ccc2OC)C3CNC(=O)C3	2435
+CC(C)(C)OC(=O)N1CCN(CC1)CCc2ccc(cc2)OCCCCl	2436
+C1CC1NC(=O)c2cc(c(cc2)C)N3C=Cc4c(cc(OCCCl)cc4)C3=O	2437
+CC1(C)C(c2c(C1)c(ccc2)OCCCBr)N3CCCCC3	2437
+Cc1cc(cc(C)c1OCCCBr)-c2nc3c(o2)nc(Cc4ccc(cc4)Cl)nc3OCCC	2437
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(OCCCCBr)c3	2437
+c1cc(ccc1Cc2c(OCCCBr)cccc2)C(N(CC)CC)=O	2437
+c1cc(ccc1OCCCCl)-c2ccc(cc2C)C#N	2437
+c1ccccc1C2=NC(C)(C)Cc3c2c4CC(C)(C)Oc4c(OCCO)c3	2437
+CN(C)CCCOc1cc(-c2c(-c3c(C)cccc3)ccc(C(=O)OC)n2)ccc1Cl	2438
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3CCCc4cc(OCCN(C)C)ccc34)C(C)C	2438
+c1cc(ccc1OCCCN2CCCC2)-c3c4ccccc4nc5CCCCc35	2438
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5c4cc(c(OCCOCCCl)c5)OC)C)C	2438
+O=S1(=O)CCCN1c2ccc(cc2)-c3c(c4c(cc(OCCN5CCOCC5)cc4)n3CC)C#N	2439
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)OCCCN3CCOCC3	2439
+c1cc(ccc1OCCCN2CCCC2)-n3c(cc(n3)CC)CC	2439
+c1cc(ccc1OCCCO)C(c2c[nH]c3c2cccc3)=O	2439
+CC(C)(C)C(=O)OCN1C=Nc2cc(c(cc2C1=O)OC)OCCCBr	2440
+FC(F)(F)c1cc(ncc1)-n2cc(CCCOc3c(OC)cccc3CC(OC)=O)c(C(C)C)n2	2440
+n1c(NCCCOc2cc3c(cc2)n(cc3)C(C(OC)=O)C)c(cnc1Cl)F	2440
+C1CN(CCC1CCCOc2cc(C)c(c(C)c2)Br)c3nc(C(C)C)no3	2441
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(Br)c2)CO	2441
+C1CCN(C1)CCOc2cc3cc([N+](=O)[O-])cnc3cc2	2442
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(OCC)=O)o3	2442
+C1CN(CCC1)CCOc2ccccc2CCNS(=O)(=O)c3ccc(cc3)Oc4ccc(cc4)F	2442
+C1(=O)c2ccccc2C(=O)N1CCCOc3cc4c(N(C(=O)C(C)(C)C(=O)N4C)CC)cc3	2443
+O=S(=O)(CCC)c1cc(OCCCCCCc2cccc(OCCCC(OCC)=O)c2CCC(OCC)=O)cc(Br)c1	2443
+c1cc(ccc1COC(NCCCOc2ccc3c(CN(C)C(C(C3)CC(OC)=O)=O)c2)=O)[N+]([O-])=O	2444
+FC(F)(F)c1ccc(cc1)-c2csc(CCCOc3cc(c(OCC(OC)=O)cc3C4CC4)C)n2	2445
+CC(C)(C)OC(=O)N1CCc2c(cc(OCC3CCN(CC3)c4ccncc4)cc2)C1	2446
+CC(C)(C)OC(n1c2c(c(CN(C)CCN(C)C(=O)OC(C)(C)C)n1)c(ccc2)OCCCC3OC(C)(C)OC3)=O	2447
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CCOc3ccc(CCC(OC)=O)c(C)c3	2447
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc(C)c(cc2OC)OC(C)(C)C(=O)OC	2447
+O=S(=O)(CCC)c1cc(OCCCCCCc2cccc(OCCCC(OCC)=O)c2CCC(OCC)=O)cc(Br)c1	2447
+CC1(C)c2cc(c(OCOC)cc2C(C)(C)CC1)C(CC)=O	2448
+c1cc(ccc1OC(C)C)-c2nc(c(o2)C)COc3cc(C)c(cc3)CC(C(OC)=O)OCC	2449
+c1cc(ccc1Cc2noc(c2)-c3ccc(N)nc3N)OCc4nccc(c4)Cl	2450
+c1cc(ccc1Cc2noc(c2)-c3ccc(N)nc3N)OCc4nccc(c4)Cl	2451
+c1cc(ccc1OCc2nn3ccnc3cc2)C4=C(OC(C)(C)C4=O)c5ccc(cc5)OC	2452
+c1(ccc(Cl)cc1-c2c(c3c(nc(nc3cc2)N)N)Cl)OCc4ncccc4	2453
+CC(C)(C)Cc1nc(COc2cc(cc(c2)OC)CCC(=O)OCC)ccc1-c3cc(ccc3F)OC	2454
+c1cc(ccc1OCc2nn3ccnc3cc2)C4=C(OC(C)(C)C4=O)c5ccc(cc5)OC	2454
+c1cc(ccc1Cl)-c2cncc(c2)COc3ccc(c(c3)C)CCCCn4ccnn4	2455
+c1cc(ccc1Cl)-c2cncc(c2)COc3ccc(c(c3)C)CCCCn4ccnn4	2456
+c1ccnc(N2CCC(F)C2)c1COc3c(c(ccc3)O)C=O	2457
+c1ccnc(N2CCC(F)C2)c1COc3c(c(ccc3)O)C=O	2458
+n1c(cc(COc2c(OC)cc3c(c2)ncnc3Nc4c(cc(Cl)cc4)F)cc1)Br	2459
+Cc1cc(C(c2cc(OCc3cccc(c3)OC)ccc2)=C)ccc1OC	2460
+c1(c(F)c(C(O)=O)c(cc1)Cl)OCc2c(F)cccc2	2461
+c1(ccccc1Cl)-c2n3c4ccc(cc4nc(C)c3c(C)n2)OCc5cccc([N+]([O-])=O)c5	2461
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(OCc5cc(I)ccc5)cc4C	2461
+c1(F)cccc(F)c1NC(c2oc(cc2)Cc3cc(ccc3OCc4c(F)cccc4)Cl)=O	2462
+n1c(cc(COc2c(OC)cc3c(c2)ncnc3Nc4c(cc(Cl)cc4)F)cc1)Br	2463
+CC(C)c1[nH]nc(c1Cc2ccccc2OCc3cccc(Cl)c3)OC4OC(C(C(C4O)O)O)CO	2464
+C1NCC2C(C)c3cc(Cl)c(cc3C12)OCc4cccc(F)c4	2465
+c1cc(ccc1COc2ccc3c(c2)c4CCC(c4[nH]3)CC(OCC)=O)-c5csnn5	2465
+c1ccccc1COc2ccc3c(CCC45C(CN(C(=O)C)C4)CCC35)c2	2466
+CC(C)(C)OC(CC1c2n(c3ccc(OCc4cc(C(F)(F)F)c(CC5CCCCC5)cc4)cc3c2)CC1)=O	2467
+CC(C)(C)OC(CC1c2n(c3ccc(OCc4cc(C(F)(F)F)c(CC5CCCCC5)cc4)cc3c2)CC1)=O	2468
+O(C)c1c(ccc(C=O)c1[N+](=O)[O-])OC	2469
+c1ccccc1COc2cc3c(cc2)ccc(C#N)c3	2470
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1S(=O)(=O)N2CCOCC2)F	2471
+FC(F)(F)S(=O)(=O)Oc1ccc2C=C(c3cc(Cl)ccc3)N(CC(=O)NC(C)C)C(c2c1)=O	2471
+C1CCC(C1)c2cc(C(=O)c3c(sc(C)c3C)Cc4ccc(cc4)Br)ccc2OS(=O)(=O)c5cc(O)c(C(O)=O)cc5	2472
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2ccc(c(c2)O)C(O)=O)C(c3c(Cc4ccc(cc4)Br)oc(c3C)C)=O	2473
+CC(C)(C)[Si](C)(C)Oc1c(cc(Oc2c(cc(cc2Cl)[N+](=O)[O-])Cl)cc1)C(C)C	2474
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)Sc2cc3C=C(C)C(C)(C)Oc3cc2	2474
+Cc1cc(cc(C)c1Oc2ccc(OC)c(Oc3ccccc3)c2)[N+]([O-])=O	2475
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)C(CCC)C(OCC)=O)Oc3ccc(cc3)F	2475
+FC(F)(F)c1ccc(Oc2cc(ccc2)C(C(=O)O)C)c(c1)C=O	2476
+Clc1cccc(c1)Oc2cc(OC)ccc2C3CN(C(=O)C3)c4cccc(C(=O)N)c4	2477
+Clc1cc(cc(Oc2ccc([N+]([O-])=O)cc2C=O)c1)CC(OC)=O	2478
+c1(cc(Oc2cc3c(cc2)C(N(CO3)C)=O)cc(c1)OC4CCOC4)C(=O)Nc5ncc(C)nc5	2478
+c1cc(ccc1Oc2ccccc2[N+](=O)[O-])-c3cn(c4ncnc(N)c34)C(C)C	2479
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(cc(OC4CCOC4)c3)C(=O)OC	2480
+C1N(CC1)C(=O)c2cnc(cc2)Oc3cc(C(Nc4nn(C)cc4)=O)cc(OC(C)COC)c3	2481
+C1N(CC1)C(c2cnc(Oc3cc(cc(OC(C)COC)c3)C(=O)Nc4nn(cc4)CC)c(Cl)c2)=O	2481
+c1(c(C)c(C)ccc1C)Oc2cnnc(O)c2Cl	2482
+Cc1c(c(c(cc1)C)Oc2cnnc(O)c2)C	2483
+c1cc(ccc1)Cn2c3c(nc(N)nc3Oc4c(cc(cc4C)C)C)cc2	2484
+c1cnccc1-c2nc(Oc3c(C)cccc3)c(cn2)C(OCC)=O	2485
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)S(=O)(=O)c3c4cccc(N(C)C)c4ccc3)=O	2486
+C1CCCN1CCOc2ccc(cc2)N(Cc3cccc(OC4OCCCC4)c3)S(=O)(=O)c5c(C#N)cccc5	2487
+O=S(=O)(c1ccc(OC)cc1OC)NC(C)c2c(-c3c(F)cc(Cl)cc3)cccc2	2488
+c1cc(ccc1S(=O)(=O)NCC(CC(=O)Nc2ccccc2)c3ccc(cc3)Cl)C	2489
+FC(F)(F)c1nn(cc1CO)Cc2cc3CCC(NS(=O)(=O)c4c(cccc4)OC)c3cc2	2490
+FC(F)(F)c1ccc(N2CCCCC2)c(NS(=O)(=O)c3ccc(cc3)C)c1	2491
+c1cc(ccc1S(=O)(=O)C)S(=O)(=O)Nc2c(C(c3cnccc3)=O)cc(cc2)Cl	2492
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(c3c(n4CCCc4c3)cc2)C(=O)OC	2493
+FC(F)(F)Oc1cccc(c1)SC2CCOC(c3ccc(cc3)Cl)C2	2494
+c1cc(ccc1-c2nc(N)sc2C)OC	2495
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	2496
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	2497
+c1(ccc(-c2c([nH]nc2N)C)cc1OCCOC)OCCOC	2498
+c1(ccc(-c2c([nH]nc2N)C)cc1OCCOC)OCCOC	2499
+c1(ccc(-c2c([nH]nc2N)C)cc1OCCOC)OCCOC	2500
+c1(ccc(-c2c([nH]nc2N)C)cc1OCCOC)OCCOC	2501
+FC(F)(F)c1cc(-c2ccc(cc2)C)n(-c3ccc(F)c(Cl)c3)n1	2502
+Clc1ccc2oc(-c3cc(ccc3)C(=O)OCC)cc2c1	2503
+c12cc(c(-c3occc3)nc1[nH]c(-c4cc(F)ccc4)c2)-c5ccncn5	2504
+c12cc(c(-c3occc3)nc1[nH]c(-c4cc(F)ccc4)c2)-c5ccncn5	2505
+C1COCCC1n2c(-c3cc(c(cc3NC(=O)C)C)Br)ccn2	2506
+c1(-c2cc(C)ccc2)ccnn1-c3nccc(C#N)c3	2507
+c1(-c2cc(C)ccc2)ccnn1-c3nccc(C#N)c3	2508
+c1cc(ccc1C=2C(C)(C)OC(=C(C#N)C#N)C=2C#N)-n3nnc(-c4ccc(cc4)N(CC)CC)c3	2509
+c1(cc(Cl)c(cc1O)O)-c2c(c[nH]n2)-c3cc(ccc3)OCCCCC#N	2510
+c1c(C)c(c(cc1OC)C)-c2csc(N)n2	2511
+c1c(C)c(c(cc1Oc2ccccc2)C)-c3nc(sc3)N	2511
+c1cc(ccc1F)-c2scc(n2)-c3ccc(cc3)C	2512
+c1cc(ccc1)-c2ccc(cc2F)-c3noc(-c4ccc(cc4)CO)n3	2513
+Clc1ccc(c(Cl)c1)-c2c(CN)c(nc(-c3cc(c4ccn(c4c3)C)OC)n2)N	2514
+FC(F)(F)Oc1c(cccc1)-c2nc(-c3ccc(c(C)c3)-c4c(csc4)C)on2	2515
+c1cc(ccc1-c2nc(on2)-c3ccc(cc3)OCc4ccccc4)Oc5ccncc5	2516
+c1cc(ccc1Oc2ncccc2)-c3nc(on3)-c4ccc(cc4)OCc5ccccc5	2516
+c1cc(ccc1)-c2ccc(cc2F)-c3noc(-c4ccc(cc4)CO)n3	2517
+COCCN(CCOC)c1c([N+](=O)[O-])cc(-c2onc(-c3ccccc3OC)n2)cc1	2518
+c1cc(ccc1-c2noc(n2)-c3ccc(cc3)CC(C)C)C4CC5(C(N(C)C(=O)N5)=O)CC4	2518
+c1ccccc1Oc2ccc3c(nc(o3)-c4ccc(C=O)cc4F)c2	2519
+c1c2c(nc(-c3cc(Br)c(C)cc3)o2)ccc1	2520
+c1ccccc1Oc2ccc3c(nc(o3)-c4ccc(C=O)cc4F)c2	2521
+c1cc(ccc1-c2cc([nH]n2)C(OCC)=O)OC	2522
+c1cc(ccc1-c2oc(nc2)-c3cccc(-c4oc(nn4)Cc5ccc(cc5)C(=O)OC)c3)OC	2523
+c1cc(ccc1)COc2cc(Oc3ccc(cc3)-c4oc(C)nn4)cc(c2)C(OC)=O	2524
+c1cc(cc(c1)-c2nnc(o2)-c3cc(OC)ccc3)I	2525
+c1cc(ccc1-c2oc(nn2)-c3cccc(OC)c3)I	2525
+c1cc(ccc1C(OC)=O)-c2cc[nH]n2	2526
+c1([nH]ncc1)-c2cc(ccc2)C#N	2527
+c1cc(ccc1-c2noc(COC(=O)C)n2)CN(C3C(NCCCC3)=O)S(=O)(=O)c4ccc(cc4)Cl	2528
+CC(C)(C)OC(=O)N1C(c2ccc(-c3nc(on3)-c4ccc(c(c4)Cl)OC(C)C)cc2CCC1)CCC(=O)OC	2529
+CC(C)Oc1ccc(cc1Cl)-c2nc(-c3c4c(ccc3)n(CCC(=O)OCC)nc4)no2	2530
+c1nc(c2n1-c3c(c(ccc3)CC=C)OC2)C(=O)OCC	2531
+C1CC1CNc2ncc(cc2)-c3nnn(c3)-c4c(C)ccc(C(=O)O)c4	2532
+FC(F)(F)c1c(c2c3c(c1)NC(=O)C(N3C(P(OCC)(OCC)=O)CC2)=O)-n4cccc4	2533
+c1cc(ccc1OCC)-n2cnc3cnc(Nc4cnn(c4)CCn5nccc5)nc23	2534
+N1(c2cc(C(=O)OC)cc(c2)-n3nnnc3)C(C=C(C=C1)C)=O	2535
+n1nncn1-c2cc(-c3ccccc3OC)cc(C(=O)OC)c2	2536
+CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c3ccc(cc3)C)n1	2537
+c1cc(ccc1-n2c(ccn2)N)OC	2538
+c1(nc2c(c(F)ccc2)[nH]1)Cl	2539
+C1CCCCN1CCOc2c3c(nc(O)cc3)c(cc2)Cl	2540
+Clc1ccc2c(nc(Cl)nc2)c1	2541
+Clc1ccc2c(nc(Cl)nc2)c1	2542
+Clc1ccc2c(nc(Cl)nc2)c1	2543
+Clc1ccc2c(c1)nc(nc2)O	2544
+Clc1ccc2c(c1)nc(nc2)O	2545
+O(n1nnc2c1cccc2)c3nc(c(cn3)C(=O)N)NCc4cnn(C)c4	2546
+c1cc(ccc1F)-c2cnc(Cl)o2	2547
+c12cc3c(OCO3)cc1c(Cl)ncn2	2548
+c12cc3c(OCO3)cc1c(Cl)ncn2	2549
+n1c2c(c(O)nc1)cc3OCOc3c2	2550
+O(C)c1ccccc1Nc2cccc3C(=O)N(C4C(=O)NC(CC4)=O)C(c23)=O	2551
+N(C(N)=O)Cc1cccc2c1C(N(C3C(=O)NC(CC3)=O)C2=O)=O	2552
+C1CN(CCN1CCc2cc(ccc2)N3C(=O)c4cc(ccc4C3=O)C)c5c6c(nc(C)cc6)ccc5	2553
+C1CC(c2c(F)c(cc(F)c12)Br)=O	2554
+c1(cc2cccnc2cc1)N3C(c4cc(OC)ccc4C3)=O	2555
+c1c(c(c2NC(C(=O)Nc2c1)=O)C)C	2556
+C1(C(=O)Nc2cc(CC)c(cc2N1)CC)=O	2557
+CN(C)CC1CC1c2cc3[nH]cc(C#N)c3cc2	2558
+CN(C)C=CC(c1c(c2cc(ccc2s1)Cl)CC)=O	2559
+C(CC#N)c1c(scc1)CCCO	2560
+Clc1cccc(c1)-c2noc(C)c2CO	2561
+c1(CO)c(C)onc1-c2ccncn2	2561
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4cc5c(c(ccn5)C(=O)OC)cc4	2562
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4ccc5c(cc(C(=O)OC)cc5)c4	2562
+O=S(=O)(N(c1onc(C)c1Cl)COCCOC)c2c3cccnc3sc2Cc4cc5OCOc5cc4C	2563
+C1CCCN1CCN2C(c3c(C)c(C=C4C(Nc5c4cc(F)c(N)c5)=O)[nH]c3CC2)=O	2564
+C1COCCN1CC(O)CN2CCc3c(C2=O)c(c([nH]3)C=C4c5cc(c(cc5NC4=O)NC(=O)CO)F)C	2564
+c1cc(ccc1)-n2c3c(cccc3)c(C=O)c2N4CCCCCC4	2565
+C1CCCCN1c2ncnc(COC)c2C	2566
+C[Si](C)(C)c1cc(c(cc1)Nc2c(oc3c2c(Cl)ncc3)C(OCC)=O)F	2567
+c1cc(ccc1O)Sc2ccc(OCc3cccc(Br)c3)cc2Nc4ccnc5nc(C)ccc45	2568
+Cc1cccc2c1ncc(C(=O)CCC)c2Nc3ccccc3OC	2569
+c1cc(ccc1)Sc2c(cc(cc2)Nc3c(C#N)cnc4c3cc(cc4)[N+](=O)[O-])Cl	2569
+FC(F)(F)c1nn(-c2ccc(cc2)CCO)c(C)c1-c3ccccc3	2570
+n1(nc(c(-c2c(N)cccc2)c1C)C#N)C	2571
+c1ccccc1-c2nc(c(c(-c3cc4NC(=O)Nc4cc3)n2)C(C(=O)OC)CCC)C	2572
+c1cc(ccc1OC)-c2c(-c3ccccc3OC)oc4ncnc(NCCCCCC(=O)OC)c24	2573
+Clc1cc2c(c(sc2cc1)-c3ccnc(n3)N)CC	2574
+c1ccccc1Cn2c3cccc(C(=O)OC)c3c4c(cccc24)O	2575
+c1ncc2cc(Br)ccn12	2576
+CC(C)(C)OC(NCCCCNc1c2c(cc(cc2)OCc3ccccc3)ncc1[N+]([O-])=O)=O	2577
+c1ccccc1COc2ccc3c(c([N+]([O-])=O)cnc3c2)NCC(C)(C)N	2577
+c12cc[nH]c1cncc2Br	2578
+c1cc(ccc1CCc2c[nH]c(C(=O)OCC)c2)Cl	2579
+CC(C)Oc1ccc(-c2onc(-c3cccc4c3n(cc4CN5CCC(CC5)C(=O)OCC)C)n2)cc1Cl	2580
+CC(C)c1nc(nc(c1)N2CCOCC2)-c3ccc(cc3)Cl	2581
+CC1(C)CC(O)(CCC1)CNc2ncnc3c2CN(CC3)c4ncc(C)cc4	2582
+O=S1(=O)CCC(Nc2c(C)c(C)nc(NCc3ccccn3)n2)C1	2583
+c1n[nH]c2cnc3cc(OC)c(OC)cc3c12	2584
+c1cc(ccc1C#N)-n2c3cc(C)nc(C)c3nc2C	2585
+c1cc(ccc1Br)S(=O)(=O)N2c3ccccc3Cn4c(C2)ccc4C(=O)NCc5cnccc5	2586
+Cc1ccccc1-c2cc(c(C(=O)N3Cc4n(Cc5c3cccc5)c(C(=O)O)cc4)cc2)OC	2587
+CCCCCCCCCCCCc1ccc(C(O)=O)s1	2588
+c1cc(ccc1)N2CCN(CC2)S(=O)(=O)c3sc(cc3)-c4cc(c(O)nc4C)CC	2589
+O=S(=O)(N)c1cc(c(CCOC)s1)C	2590
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(S(=O)(=O)NC3CC3)c(C)n2CC4CCCCC4	2591
+FC(F)(F)C(=O)Nc1cc(ccc1F)N(c2nc3c(nc(N)s3)cc2)C	2592
+FC(F)(F)C(=O)Nc1cc(N(c2nc3sc(NC(C4CC4)=O)nc3cc2)C)ccc1F	2593
+FC(F)(F)C(=O)Nc1cc(N(c2nc3sc(NC(C4CC4)=O)nc3cc2)C)ccc1F	2594
+FC(F)(F)c1nc(ccc1)-c2nc3ccc(N4CC(CCC4)C(N5CCCC5)=O)nc3[nH]2	2595
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(Nc4c(C#N)c(CC)nc(N)n4)C)=O	2596
+C1CCCCC1N2C=C(C(c3cnc(nc23)NCCCn4ccnc4)=O)C(OCC)=O	2597
+c1ccccc1COc2cc3c(c4c(c(cc(Br)n4)C(=O)OC)[nH]3)cc2	2598
+C1CC2(CCN1c3cnn4c(c3Cl)nnc4CC5CC5)C=Cc6ccccc26	2599
+CC(C)(C)OC(N1CC2(CC(C2)n3cc(Br)cn3)C1)=O	2600
+CC(C)(C)OC(N1CC2(CC(C2)n3cc(Br)cn3)C1)=O	2601
+C[Si](C)(C)CCOCn1ccc2c1ncnc2-c3cn(C(CN4CC(C(CC4)OC(=O)c5ccccc5)F)CC#N)nc3	2602
+C[Si](C)(C)CCOCn1c2ncnc(-c3cn(C4(CC(C4)C(OC)=O)CC#N)nc3)c2cc1	2603
+c1c2c(cccc2ccc1F)Cn3c4ccc(cc4c(CC(OCC)=O)c3C(OCC)=O)F	2604
+c1(F)cccc(F)c1C(Nc2cn(Cc3c(OCc4ccccc4)cc(cc3)Cl)nc2)=O	2605
+O=S(=O)(C)c1cc2c(C)cn(NC(c3cnc(nc3C)-c4cccc(F)c4)=O)c2cc1	2606
+CC(C)(C)OC(N(C)Cc1cn(S(=O)(=O)c2cnccc2)c(c1)-c3cc(C#N)ccc3F)=O	2607
+FC(F)(F)c1nc(-n2cnc(I)c2)nc(-c3cc(Cl)c(Cl)cc3)c1	2608
+FC(F)(F)c1ncc(-n2c(c(Cl)nc2C)-c3c(F)cc(cc3F)OC)cc1	2609
+c12ccccc1NC(C2=Cc3[nH]cc(C)c3C)=O	2610
+c1nc(ncc1OCC)N2CCC(CC2)C3CC3CCO	2611
+FC(F)(F)c1c(C(N2CCN(CC2)c3sc(cn3)C(OC)=O)=O)cccc1	2612
+C1COCCC1Nc2ncc3C=C(c4cc(C(=O)NC5CC5)ccc4C)C(=O)N(C)c3n2	2613
+c1cc(ccc1Nc2nc(c(C#N)cn2)N)C(NCCCn3ccnc3)=O	2614
+c1cc(ccc1Nc2c(cnc(n2)Nc3cn(nc3)CCn4nccc4)[N+]([O-])=O)OCC	2615
+c1cc(ccc1-c2c(-c3ccccc3)nc4c(CCCN4CCCCCCC(OCC)=O)n2)C	2616
+c1cc(ccc1-c2nc3N(CCCCCCC(=O)OCC)CCCc3nc2-c4ccc(cc4)C)C	2616
+C1CN(CCO1)c2ncc(cc2Nc3cc(nc4cc(cc(c34)F)F)-c5ccccn5)N6CCOCC6	2617
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c4c(ncc3C#N)cc(c(NC(=O)C)c4)OCC	2618
+c1cc(ccc1)NC(n2c3ccc(cc3cc2)Nc4cc(ncc4C#N)N)=O	2619
+CC(C)(C)OC(=O)N1CC(Nc2c3c(ccs3)ncc2[N+](=O)[O-])CCC1	2620
+C1CC1(c2c(cccc2)C#Cc3nc(ncc3C)Cl)C(=O)N	2621
+C1CC1(C(N)=O)c2ccccc2CCc3nc(ncc3C)Cl	2622
+C1CC1(C(N)=O)c2ccccc2CCc3nc(ncc3C)Cl	2623
+C1CN(CCN1c2c3c(ncn2)cc(OC)c(c3)OC)c4ncc(cn4)O	2624
+C(c1c(nc(nc1C)N)NCCCCC)CCCCC	2625
+C1COCCC1Nc2c(cnc(-c3c4cnccn4nc3)n2)[N+]([O-])=O	2625
+c1ccccc1CCS(=O)(=O)Nc2c(Oc3cccc(c3)OC)c(Cl)nc(n2)N4CCOCC4	2626
+C1CN(CCC1Oc2cc(OC)cc3c2c(Nc4n[nH]c(CC(O)=O)c4)ncn3)C	2627
+c1cc(ccc1)Nc2c(Oc3c(cc(c(C)c3)OC)C(C)C)cnc(N)n2	2628
+c1cc(ccc1C#N)Nc2c3CCC(c3ncn2)OC	2628
+c1c(N)cc(cc1)Oc2c3c(cc(OCCOC)c(OC)c3)ncn2	2629
+C(c1c(nc(nc1N)C)Cn2ccnc2-c3cccc(F)n3)CC	2630
+O1CCOC12Cc3sc4ncnc(Nc5cc(c(F)cc5)Cl)c4c3CC2	2631
+O1CCOC12CCc3c4c(sc3C2)ncnc4Cl	2632
+CC(C)(C)OC(N1CCN(CC1)CCCNc2ncc(c(-c3cc4ccc(cc4s3)C(NC)=O)n2)C)=O	2633
+C1CC1Cc2nc(ncc2-c3nc(NC4COCCC4)ncc3)N	2634
+Fc1cccc(F)c1N2C(=O)C=Cc3c2nc(nc3-c4c(C)ccc(C(=O)Nc5sccn5)c4)NCCCNC(C)C	2634
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4ccnc(n4)NC5CC5)C	2634
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2c3n(c(cn3)-c4nc(NCc5ccccc5)ncc4)ccn2	2635
+CC(C)(CCNc1nc(-c2n3ccnc(C)c3nc2-c4ccc(F)cc4F)ccn1)O	2635
+c1cc(ccc1F)C2CCc3c2nc(Nc4ccc(-n5nc(nc5)C)c(OC)c4)nc3NC	2636
+c1cc(ccc1N2C(C)c3c(N(C2=O)c4cccc(C#N)c4)nc(nc3)Nc5cccc(CCOC(C)=O)c5)OC	2636
+c1c(cc(cc1)Nc2ncc(c(n2)NCc3cc(ccc3)OC)Cl)CCCO	2637
+FC(F)(F)C(c1c(-n2ccnc2)cccc1)Oc3nc(N)nc(Cl)c3	2638
+FC(F)(F)C(c1ccc(cc1)-c2ccncc2)Oc3cc(nc(N)n3)Cl	2639
+FC(F)(F)COc1nc(nc(CCl)c1)N	2640
+Cc1sc(CNc2c(C)c(nc(n2)OCCCc3[nH]c4c(cccc4)n3)Cl)c(n1)C	2641
+O(n1nnc2c1cccc2)c3nc(Nc4cccc5c4ccn5C)c(cn3)C(=O)N	2642
+FC(F)(F)c1ncc(cc1)-c2cc(nc(n2)-n3cnc(c3)I)C	2643
+Clc1cnc2c(c1)n3c(c(NCCO)n2)nnc3	2644
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3nc(Cl)nc(N4CCOCC4)c3nn2	2645
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	2646
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	2647
+c1cc(ccc1Cl)C(c2cc(c(F)cc2)Cl)c3c[nH]c4c(cccc34)CSC	2648
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	2649
+C1CN(CCC1CC2CCN(CC2)C(C)C)c3ncc(nc3)C(=O)OC	2650
+c1c(C)c(C(Nc2ncc(-c3cc(-c4cnn(C)c4)ccc3Cl)nc2)=O)cnc1	2651
+c1(C)cccc(C)c1-c2cnc(c(-c3cc(C)cc(c3)C)n2)-c4cc(C)cc(C)c4	2652
+c1(C)cccc(C)c1-c2cnc(c(-c3cc(C)cc(c3)C)n2)-c4cc(C)cc(C)c4	2653
+c1cc(ccc1C#N)-c2sc(Nc3cccc(c3)NS(=O)(=O)C)nc2	2654
+c1(cc(cc(C)c1)-c2nc(cnc2-c3cc(C)cc(c3)C)Cl)C	2655
+C1CN(CCN1c2ncc([N+]([O-])=O)c(Cl)c2)C	2656
+C1CCN(C1)c2c3cc(c(cc3nc(c2)C)OCc4ccccc4)Br	2657
+FC(F)(F)c1ccc2c(nc(SCC)c(c2N(C)C)C(NCc3cc(ccc3)F)=O)c1	2657
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3c(-c4ccccc4OCC3)nc(N)n2	2658
+c1cc(ccc1-c2nc3C(C)(C)OCc3c(N4CC5CCC(C4)O5)n2)Br	2658
+c1nc2c(c(N)c1)c(OC)ccc2OC	2659
+Cc1nc(nc(N)c1C)CCCC	2660
+c1cc(ccc1C(=NNc2cc(nc(CC)n2)-c3ccccc3OC)C)N(C)C	2661
+CN(C)CCNS(=O)(=O)c1cc(Nc2cc(nc3c2cccc3)C)ccc1	2662
+CC(C)(C)OC(=O)N(CCn1cc(cn1)-c2cc3nccc(Oc4ccc([N+]([O-])=O)cc4F)c3s2)C	2663
+c1ccccc1CCNC(C(Nc2ccc(Oc3c4c(ncc3)cc(c(OC)c4)OCc5ccccc5)c(c2)F)=O)=O	2664
+n1c(COC(CCCCC)=O)nc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)cc1	2665
+n1c(COC(CCCCC)=O)nc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)cc1	2666
+n1c(nc(Cl)cc1)COC(CCCCC)=O	2667
+c1cc(ccc1OCCCCCCCC)-c2ncc(cn2)C(OCC)=O	2668
+CC(C)(C)OC(=O)Nc1c(C#CC2CCC2)cc(Cl)nc1	2669
+c1ncn(c1)CC(c2ccc(c(c2)Cl)Cl)CCOC3OCCCC3	2670
+c1ncn(c1)CC(c2ccc(c(c2)Cl)Cl)CCOC3OCCCC3	2671
+c1ccc2cc3c(cc2c1)cc(cc3)Cn4c(CCCC)nc(Cl)c4C=O	2672
+C1C(CC1)N2CCc3c(ccc(c3)Oc4c(N5C(=O)CCC5)nccn4)CC2	2673
+O=S(=O)(NC)Cc1ccc(cc1)Oc2nc(nc(c2)CN)C	2674
+FC(F)(F)C(=O)NCC1CCC(CC1)Nc2c3cc(OC)ccc3nc(n2)C=Cc4ncccc4	2675
+C1CC1Nc2c3cc(ccc3ncn2)-c4ccc(cc4)F	2676
+FC(F)Oc1cc(ccc1)Nc2c3cc([N+](=O)[O-])ccc3nc(-c4nccnc4)n2	2677
+C1CC(CCN1C(=O)CN(C)C)Oc2cc3c(ncnc3Nc4ccc(c(Cl)c4)OCc5nccnc5)cc2	2678
+c1cc(ccc1Sc2c(c(ncn2)CC)F)Cl	2679
+CC(C)(C)OC(N1Cc2c(nn(C3CCOCC3)c2CC1)Br)=O	2680
+FC(F)(F)c1n(nc(C(=O)OCC)c1)Cc2c(ccc(Br)c2)OCc3ccccc3	2681
+C1CC(CCN1C)c2nn3c(NCCNc4ncc(cc4)C#N)nc(-c5ccc(cc5Cl)Cl)cc3n2	2682
+CC(c1nnc2n1nc(cc2)C(=O)OC)c3ccc4ncccc4c3	2683
+CC(c1nnc2n1nc(cc2)Cl)c3c(cc4ncccc4c3F)F	2684
+c1(-c2cn3nc(ccc3n2)Cl)cc(ccc1)C#N	2685
+FC(F)(F)c1cc(-c2c(-c3cc4NC(COc4cc3)=O)n(nc2C)C)ccc1	2686
+c1(c(NC(=O)OC(c2ccccc2F)C)c(-c3cc(C)c(cc3)Br)on1)C	2687
+c1cccc(c1C)-c2n3c(c(C)n2)c(nc4ccc(F)cc34)C	2688
+CC1(C)C(C)(C)OB(O1)c2ccc(N)c(OC)c2F	2689
+c1ccccc1-c2ccc3n-4c5c(cc(cc5c3c2)-c6ccccc6)C(C)(C)c7cc(ccc-47)B(O)O	2690
+OB(O)c1cc(c(cc1)S(=O)(=O)C)F	2691
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(N(S(=O)(=O)C)c4cc(Cl)c(Br)cc4)cc3o2)C5CC5	2692
+O=C(c1c(O)c(O)c(Br)cc1)O	2693
+FC(F)(F)c1ccc(cc1)C#Cc2ccc(cc2)OC3OCCCC3	2694
+FC(F)Oc1c(C)cc(cc1)C#Cc2ccc(F)c(c2)OCC	2694
+c1cc(ccc1)COc2c(cc(cc2C)C#Cc3cc(cc(c3C=O)OC)OC)C	2694
+FC(F)(F)c1cc(NC(=O)c2cc(c(cc2)C)C#Cc3n4ncccc4nc3)ccc1CN5CCN(CC5)CCO	2695
+c1cc(ccc1C#Cc2cc3c(C(=O)CCC3(C)C)c(O)c2)CC(=O)OC	2695
+c1ccccc1COc2nnc(C#Cc3cc(Cl)ccc3)cc2OCc4ccccc4	2695
+c1(F)c(cc(cc1)C#Cc2cc(C#N)cnc2)CO	2696
+C[Si](C)(C)C#Cc1ccc(cc1F)N2CC(Cn3nnc(C)c3)OC2=O	2697
+C(OC(CCCc1ccc(O)c(C#N)c1)=O)C	2698
+c1cc(C#N)c(Cl)cc1CC(OC)=O	2699
+c1(c(NC(C)=O)ccc(C#N)c1F)C	2700
+CC(C)(C)[Si](C)(C)OCc1cc(C#N)ncc1	2701
+c1c(F)c(ccc1F)C(C(C)c2cc(C#N)ncc2)(Cn3ncnc3)O	2701
+c1c(F)c(ccc1F)C(C(C)c2cc(C#N)ncc2)(Cn3ncnc3)O	2702
+CN(C)c1oc2c(cc(Oc3cc4c(c(O)c(C(=O)OCCCC)nc4C#N)cc3)cc2)n1	2703
+CC(C)(C)[Si](C)(C)OCc1cc(C#N)ncc1	2704
+c1c2c(ccc(C)c2)[nH]c1C#N	2705
+c1ccccc1COc2ccc(Cl)cc2Cn3nc(cc3C)C#N	2705
+CC(C)Nc1nc(cc(n1)C#N)C	2706
+CC(C)Nc1nc(cc(n1)C#N)C	2707
+CN(C)c1n(Cc2ccccc2F)nc(c1)C#N	2707
+c1cc(ccc1OC)C(=O)C(Br)C	2708
+C1CC(CCN1Cc2ccccc2)c3ccc(cc3)OC	2709
+c1cc(ccc1)COc2c(cccc2-c3ccccc3)C(c4cc(ccc4)-c5c(cccc5)OC)C	2710
+c1cc(ccc1C(N)=NO)CC2C3C(=O)N(Cc4ccccc4)C(=O)C3C(C)(C)N2C	2711
+CC(C)Nc1nc(C)cc(C(N)=O)n1	2712
+CC1(C)CC(CC(C)(C)N1CC(F)(F)F)(c2ccc(c(c2)C=3CCC(C)(C)CC=3)NC(=O)c4nc(c[nH]4)C#N)O	2713
+CC(C)(C)c1cc(cc(c1N(C)C)Cl)C(O)C#C	2714
+c1cc(ccc1C(c2cc(OC)c(c(c2)OC)OC)O)OC	2715
+c1cc(ccc1F)C(O)c2ccc(cc2Cl)Cl	2715
+c1cc(ccc1)COc2c(C(c3cc(-c4c(OC)cccc4)ccc3)=C)cccc2-c5ccccc5	2716
+c1cc(ccc1)CN2CCC(=CC2)c3ccc(cc3)OC	2717
+CC(C)(C)OC(=O)N1CCC(c2ccc(cc2)Oc3ccccc3)=CC1	2718
+C1CC(CCC1c2c(F)c(F)c(C=3CCC(CC=3)c4ccc(c(F)c4F)OCC)cc2)CCCCC	2719
+CC1(C)CCC(c2cc(C(=O)C)ccc2N)=CC1	2720
+C1CCCCC1CC(C(=O)c2c(cc(cc2)OC)OC)Br	2721
+C1CC(CCC1)CCC(c2c(OC)cc(OC)cc2)=O	2722
+c1cc(ccc1Oc2ccc(cc2)C(CC(C(OCC)=O)(C(OCC)=O)NC(=O)C)=O)CCCC	2723
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	2724
+c1cc(ccc1CN2C(c3c(cnc(C(=O)N(C)C)c3CC2)OC)=O)OC	2725
+C1CC(CCC1(C)C)c2cc3c(nc(C)nc3s2)C(=O)N4CCC(CC4)(O)C	2726
+c1cc(ccc1-c2cc(-c3n(c(cc3C)C(=O)N(C)OC)C)ccc2OC)S(=O)(=O)N	2727
+c1cc(ccc1)CN(O)C(=O)c2nccc(N(C)Cc3ccccc3)c2	2728
+CC(C)(C)ON=C1c2c(OC(=C1)c3ncn4c(c3)ccc4)ccc(c2)C(=O)NCCN5CCOCC5	2729
+C1CC1NC(c2nnc(OCc3c(noc3C)-c4cccc(F)c4)cc2)=O	2730
+CC(C)(C)OC(=O)COc1ccc(cc1)CNC(c2ncnc(c2)C(=O)NCc3ccc(c(C)c3)F)=O	2731
+c1cc(ccc1C)C2CCCN2c3nc(cc(Nc4sc(C#N)cn4)n3)C(NC(C)CO)=O	2731
+C1CC(CCN1c2cc(C(N)=O)cc(n2)Cl)NC(=O)c3[nH]c(c(Cl)c3)C	2732
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(c4cc(c(s4)OC)-c5ccnn5C)=O	2733
+CC(C)NC(=O)c1sc(cc1OCc2ccccc2C)-n3cnc4ccccc34	2734
+c1(cccnc1OCC(C)F)Nc2c3c(c(sc3ncn2)C(NCCO)=O)C	2734
+c1ccccc1-c2ccc(cc2)C(=O)Nc3ccsc3C(NCCN4CCCCC4)=O	2734
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(c4cc(c(s4)OC)-c5ccnn5C)=O	2735
+[nH]1c(C(NC2CN(c3cccc(C(=O)OC)c3)C2=O)=O)c(Cl)c(c1C)Cl	2736
+[nH]1c(C(NC2CN(c3cccc(C(=O)OC)c3)C2=O)=O)c(Cl)c(c1C)Cl	2737
+c1cc(ccc1)-c2nc3n(ccc(c3)NC(c4c(cnn4Cc5ccccc5)C(=O)OCC)=O)n2	2738
+c1ccccc1NC(=O)c2cccc(N3Cc4c(CC3)nc(SC)nc4)n2	2739
+c1cc(ccc1NC(=O)c2c(Cl)c(c(C)[nH]2)Cl)C#C	2740
+c1cc(ccc1CO)NC(=O)c2ccc(Cc3cc(cc4c3oc(C(C)C)c4)Cl)o2	2741
+C[Si](C)(C)c1cc2c(cc(C(=O)Nc3cnc(cc3)N4CC(C4)O)n2Cc5cccc(F)c5)cc1	2742
+FC(F)(F)c1cc(ccc1)N2C(=C(C(c3c(cc(cc3)C#N)C(O)=O)N(C)C2=O)C(=O)OCC)C	2743
+CC(C)(C)c1cc2c(cc(C(=O)O)cc2)cc1	2744
+CC(C)(C)OC(=O)N1c2c(cc(C(=O)O)cc2)CC1	2745
+CC(C)(C)ON=C1C=C(c2ncn3c(c2)ccc3)Oc4ccc(C(O)=O)cc14	2746
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)C(c5cc6ccc(C(=O)NC)cc6cc5)=O	2747
+c1cc(ccc1OC)C(=O)c2c(Cl)c(C)ccc2	2748
+c1c(OC)cc(cc1C(c2cc3c(cc[nH]3)cc2)=O)OC	2749
+C(c1cc2c(cc1)n(C)nn2)(=O)c3cc(OCC)c(OC)cc3	2750
+c1cc2c(cc1C(=O)c3c(F)cc(OC)cc3)ccc(OC)c2	2750
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(c(F)c(c(C(=O)c4ccccc4)c3)F)N5CC(C)OC(C5)C	2751
+C[Si](C)(C)CCOCn1c2ccc(C(=O)c3ccccc3C#N)cc2cc1	2752
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)c4cccc(C)c4	2753
+CC(C)(C)c1ccccc1C2CCNCC2	2754
+Fc1cc(cc(F)c1C2CO2)S(=O)(=O)N(c3c(cc(C)cc3)C)CC(C)C	2755
+c1cc(ccc1C(C)N2CCC(c3ccccc3)(CCc4nnc(C)o4)OC2=O)C5=CC(=O)N(C)C=C5	2756
+c1cc(ccc1C(C)N2CCC(c3ccccc3)(CCc4nnc(C)o4)OC2=O)C5=CC(=O)N(C)C=C5	2757
+C1CCC(C1)C(C(OC)=O)c2cc(CC(=C)C)c(O)cc2	2758
+n1cc(cnc1-c2cccc(c2)CC3=NN(C=CC3=O)c4cn(C)nc4)OCC	2759
+c1(cc(ccc1[N+]([O-])=O)CC(OCC)=O)OC	2760
+CC(C)Cc1c(O)cc(cc1)O	2761
+C[Si](C)(C)CCOC(=O)C(c1c(CCC(=O)c2cccc(C=Cc3nc4c(ccc(Cl)c4)cc3)c2)cccc1)CC	2762
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(OCC)=O)n1	2763
+C1CN2CCC1C(C2)C(c3ccccc3)(O)CCc4ccc(cc4)C(OC)=O	2764
+CC(C)(C)CCc1cccc(N)c1C#N	2764
+c1cc(cc(C)c1OC)CCCCO	2764
+CN(C)CCCc1ccc(c(c1Cl)C)Br	2765
+c1c(OC(C)=O)cc(cc1)CCCCO	2765
+CC(C)(C)N1c2ccc(CCCO)cc2C(=O)C(C(NCc3ccc(cc3)Cl)=O)=C1	2766
+CC(C)(C)OC(=O)c1ccc(cc1)CCCCO	2766
+c1(OC)c(OC)c(cc2nc(ccc12)CCl)OC	2767
+o1c(c(c2c1ccc(Br)c2OC)C)CCl	2768
+C(CCCC)CCOc1ccnc(c1C)CCl	2769
+C1COCCN1Cc2c(F)cc(Br)c(c2)F	2770
+CC(C)(C)[Si](C)(C)Oc1cccc(CN2CCCC2)c1F	2771
+C1CCCCN1Cc2[nH]c3cc(Oc4sc5ccccc5n4)ccc3c2	2772
+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4c(cnc(c4)CN5CCN(CC5)C)nc3)C)cccc1	2772
+O=S(=O)(c1ccc(cc1)C(CN(Cc2c(C)c3c(s2)C(=O)C(C(NCc4ccc(cc4)Cl)=O)=CN3C)C)O)N	2773
+c1cc(ccc1Cl)CNC(=O)C=2C(=O)c3sc(CN(C)CC(c4occc4)O)cc3N(CC(=O)N(C)OC)C=2	2773
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5cc(CN)ccc5-c4n3)c1F)F	2774
+C(OC)(c1ccccc1-c2ccc(CN)nc2)=O	2775
+ClC(Cl)=C1C2CCC1c3c2cccc3CNC4CC4	2776
+CC(C)(C)C1CCC(CC1)Oc2ccc3c(c2)ccc(CNC45CCC(CC4)(C(OCC)=O)C(C5)O)c3	2777
+c1(C)cc(cc(C)c1NC(OCC)=O)CNc2cccc(c2)F	2778
+O(COC)c1ccc2ccc(nc2c1C#N)CO	2779
+c1c2c(c([N+](=O)[O-])c(OCOC)c1)nc(CO)cc2	2779
+c1c2nc(cc(Cl)c2ccc1OC)CO	2779
+CC(C)(C)c1ccc(cc1)Cn2c(cc3c2ccc(OC)c3)COC(C)=O	2780
+c1(c(cc(OC)c(COCCCCl)c1)F)F	2781
+c1cccc2nn(nc12)-c3cc(C)cc(c3O)COCCC(C)C	2781
+C(Cc1c(CO)cccc1)CCCCCCC	2782
+c1(OC)c(OC)c(cc2nc(CO)ccc12)OC	2783
+C1COC2(O1)COC(OC2)(CCOc3c(C)c(CS(c4nc5ccccc5[nH]4)=O)ncc3)CC	2784
+C(CCCC)CCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2	2785
+C(CCCC)CCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2	2786
+c1(cc(cc(OC)c1OC)Cc2ccc(cc2)OC)OC	2787
+c1cc(ccc1Cc2c(c3c(OC(C3)C)c(Br)c2)Cl)OCC	2788
+c1cc(ccc1CC)Cc2ccccc2OC	2789
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C=Cc2cc(C)c(c(C)c2)-c3c(cncc3C)C	2790
+c1cnccc1-c2cccc3c2C(C(=O)N3)=Cc4c(C)c(CCC(O)=O)c(C)[nH]4	2791
+CN(C)C1CN(C(c2c([nH]c(C)c2)C=C3c4c(cccc4NC3=O)-c5cccc(Cl)c5)=O)CC1	2792
+c1c2NC(CCc2cc(c1)C=CCCCl)=O	2793
+c1cc(ccc1S(=O)(=O)N2CCOCC2)C=Cc3ccc(c(OCOC)c3)OCOC	2794
+Clc1ccc(C=NO)c(F)c1C(=O)OC	2795
+c1(C)cc(nc(Cl)n1)C=NO	2796
+c1cc(ccc1Cc2c3c4c(cnc(c4COC)C=NO)[nH]c3ccc2)Cl	2796
+c1(C=O)cc2c(occ2CCNC(C)=O)cc1	2797
+c12ccc(C=O)cc1c3ccccc3n2C	2798
+FC(F)(F)c1cc(cc(C=O)n1)CC	2799
+c1(C)cc(nc(Cl)n1)C=O	2800
+c1c(Oc2nc3c(s2)cccc3)ccc4cc(C=O)[nH]c14	2800
+c1cc(ccc1Cc2c3c([nH]c4cnc(c(COC)c34)C=O)ccc2)Cl	2801
+Clc1cc(Br)c2c(cccn2)c1	2802
+C1(C(Nc2c(c(Cl)c(cc2N1)Cl)C#N)=O)=O	2803
+C1CN(CCC1c2ccc(C(C)=O)cc2Cl)C(=O)C	2803
+C(C(c1ccc(c(Cl)c1)OC)=O)CC(=O)O	2804
+C1CN(CCC1c2ccc(C(C)=O)cc2Cl)C(=O)C	2805
+c1cc(ccc1C2CC(=O)N(C2C(OCC)=O)C)I	2806
+c1(cc(I)c(C=O)cc1Br)F	2807
+c1c(cc(c(c1)CC)I)Br	2807
+c1cc(ccc1)-c2c(cc(I)cc2)OC	2807
+c1(cc(I)c(C=O)cc1Br)F	2808
+FC(F)(F)c1c(F)c(Cl)cc(I)c1	2809
+C1CN(CCN1c2ccc(cc2)F)c3c(-c4ccc(cc4)N(C)C)nc(OC)cc3	2810
+C1COCCN1C2CCN(CC2F)c3cccc(-c4n(C)c5ccccc5n4)c3	2811
+c1cc(ccc1[N+]([O-])=O)N2CC3CCC(COc4ccc(cc4)F)CN3CC2	2812
+FC(F)(F)c1cc(C(NCC(=O)NC2CN(CC2)C3CCN(C3)c4ccc(cc4)C(OC)=O)=O)ccc1	2813
+C1CN(CCN1c2ncnc3CCN(CCc23)c4ccc(cc4)C(=O)C)C5CCC5	2814
+FC1(F)CCN(c2cc(c(N3C=C(C(C(c4n(-c5ccccc5)ncc4)=N3)=O)OC)cc2)F)C1	2815
+CC(C)(C)OC(=O)C1C(N(CC)c2c(CC1)cc(c(c2)OC)N3CCNCC3)=O	2816
+CC(C)(C)[Si](C)(C)OCC1CN(CCN1C2COC2)c3c(c(cc(C#N)c3)NC(OC(C)(C)C)=O)Cl	2817
+C1C(CC1)N2CCC3(CCN(CC3)c4nnc(cc4)Cl)CC2	2818
+c1(cc(cc(F)c1Br)S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C)F	2819
+Cc1c(Cl)cc(N)c(N)n1	2820
+CCCCCCCCCCCCc1ccc(O)c(c1)N	2821
+Nc1c2c(ccc1)cnc(c2)COC	2821
+OB(O)c1cc(N)cc(c1)C(O)=O	2821
+c1(cc(C#N)c(C)cc1N)O	2821
+c1ccccc1COc2c(cc(C(=O)C)c(c2)N)OC	2821
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)N	2822
+C1(C)Cc2c3c(c(N)c(c2F)F)C(C(=CN13)C(=O)O)=O	2823
+C1C2(CC1)S(=O)(=O)CC(NC2=N)(c3cc(ccc3F)N)C	2823
+CC(C)C(=O)Nc1c(N)cc(C(OCC)=O)cc1	2823
+c1(ccc(N)cc1-c2nc(O)c3c(n2)c(CCC)ccn3)OCC	2823
+c1c(c(cc(F)c1Br)O)N	2823
+CC(C)N1c2cc(ccc2C(C)(C)C1=O)N	2824
+c1cc(ccc1-n2c(C(C)(C)c3ccc(c(OC)c3)Cl)cnc2SCc4c(cc(N)cc4F)Cl)F	2825
+C1CCC(C1)c2c(OC(=O)OC)cc(c(CCC(=O)OCC)c2)N	2826
+C1CN(CCC12Oc3c(cc(N)cc3)C(=O)C2)C	2826
+FC(F)(F)C(NC1C2c3ccccc3Oc4c(cc(c(N)c4)Cl)N2CCC1)=O	2826
+c1cc2c(CCC(NC(CC)=O)C2)c(N)c1OC	2826
+C1CN(C(=O)CC)CC1c2c(ccc(N)c2)OC	2827
+C1CN(CCN1CC)c2cc(C)c3c(n2)ccc(c3)N	2828
+CCOc1c(F)cc(c(N)c1Br)Cl	2828
+FC(F)(F)c1ccc(C)c(c1)N	2828
+Nc1cc-2c(OCc3n-2cc(C(=O)OC)n3)cc1	2828
+CC1(C)C(N(c2c(N1)cc(N)cc2)C)=O	2829
+CC(C)(C)OC(=O)N1CC(CC1)(N2CCC(CC2)Nc3cc(c(F)cc3[N+](=O)[O-])C)C	2830
+c1(NC(=O)C)c(Cl)cc(F)c(OCC)c1Br	2831
+c1c(NC(C)=O)ccc2OCc3n(cc(C(=O)OC)n3)-c12	2832
+C1CCCC1CC(C(=O)Nc2ccn(CC(C)(C)O)n2)N3N=CC=CC3=O	2833
+C1CCCC1CC(C(=O)Nc2ccn(CC(C)(C)O)n2)N3N=CC=CC3=O	2834
+C1CN(CCC1CCCC(=O)N)C(=O)Nc2nccc(Oc3ccc4n(C(=O)NC)ccc4c3)c2	2835
+C1CN(CCC1CCCC(=O)N)C(=O)Nc2nccc(Oc3ccc4n(C(=O)NC)ccc4c3)c2	2836
+C1CN(CCC1O)C(=O)Nc2nccc(Oc3cc4c(cc3)n(C(NCCC(C)C)=O)cc4)c2	2837
+c1cc(ccc1)COc2cc(cc(c2)OC(C)COC)C(=O)Nc3nn(cc3)CC	2838
+c1cc(ccc1C#N)NCCN(S(=O)(=O)c2ccccn2)CC3CCCCC3	2839
+C1CN(CCC1Nc2c3cc(ccc3c(-c4c(cccc4)OC)nn2)OC)Cc5cc6ccccc6cc5	2840
+C1CN(CCC12Oc3c(C(=O)C2)cc(NS(=O)(=O)C)cc3)C	2841
+FC(F)(F)C(NC1C2N(CCC1)c3c(cc(NS(=O)(=O)c4ccccc4)c(Cl)c3)Oc5ccccc25)=O	2842
+c1cc(ccc1F)-c2cccn3c2nc(n3)Nc4ccc(-n5cnc(C)c5)c(c4)OC	2843
+c1cnccc1C=Cc2cc(ccc2)Nc3cc(ccc3)S(=O)(=O)N	2844
+c1cnccc1NC(c2cc(Nc3cc(C(NCCCN4CCCCC4)=O)ccc3)ccc2)=O	2844
+c1c(I)cc(c(Nc2c(C(=O)OC)ccc3cncn23)c1)F	2845
+FC(F)(F)c1cc(ccc1)Nc2nccc3c([N+]([O-])=O)c(C)ccc23	2846
+c1(cc(C(=O)OC)c(cc1Br)O)F	2847
+S(C)c1ccc(O)cc1Cl	2848
+c1cc(ccc1O)C23CC2CN(C3)C(C)=O	2849
+c1cc(ccc1O)C23CC2CN(C3)C(C)=O	2850
+CC1(C2CN(C(=O)C12)CCCCCC)c3cc(ccc3)O	2851
+O=S(=O)(C)c1cc(C(O)=O)cc(O)c1	2851
+COc1c(C)ccc(c1)O	2852
+CC1(C)CC(=O)c2cc(O)ccc12	2853
+O=S(=O)(C)c1cc(C(O)=O)cc(O)c1	2854
+CC1(C)CC(=O)c2cc(O)ccc12	2855
+c1c(c(c(c(O)c1)F)F)CCCCCCCCC	2856
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(CC(C)C)c3ccc(cc3)C(OC)=O)C	2857
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCOc3ccc(cc3)C	2858
+CC(C)(C)OC(=O)N1C(CCC1)COc2ccc(cc2)Oc3ccccc3	2859
+O=C(OCC)C(C(=O)OCC)CCCOc1cc(ccc1)C#CCCCCCC	2860
+c1cc(ccc1C)S(=O)(=O)NCCc2c(OCCN3CCCCC3)cccc2	2860
+C1CC1CCOc2ccc(cc2)OC3C(=O)NCC3	2861
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CC(OCCCCCC)C(=O)OC	2861
+n1cc(cnc1-c2c(c(F)c(cc2)OCC(CCCCCCCC)F)F)-c3ccc(nc3)OCCCCCCCC	2861
+CC(C)(C)OC(NCc1ccc(cc1)-c2cccc(OCCCCOCc3ccccc3)c2)=O	2862
+c1cc(ccc1OCc2nc3cccnc3cc2)C(=O)Cc4ccncc4	2862
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(C)c(CC(=O)OC)cc3)C)c(C(C)C)n2	2863
+CC(C)(C)CCc1c(OCc2cccc(C(C3CC3)CC(=O)OCC)c2)ccc(-c4cc(ccc4F)OC)c1	2864
+CC(C)(C)OC(N1CCC(CC1)Oc2nnc(c(c2)-c3cc(Br)c(cc3)OC4CCCCC4)CCCC)=O	2865
+FC(F)(F)c1ccc(cc1)-c2nc(c(CCOc3ccc(CCC(OCC)=O)c4ccccc34)cc2)C	2866
+c1cc(ccc1OCCc2ccc(cc2)COC)CC(CC)C(OC)=O	2866
+C1CC(CCCC1)COc2cc(ccc2)C=O	2867
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3c(cc(OC(C)(C)C(OC)=O)c(Cl)c3)Cl)c2	2868
+FC(F)(F)c1[nH]c2c(Br)cccc2c1CCCOc3cc(C)c(c(C)c3)Cl	2869
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(C)c(CC(=O)OC)cc3)C)c(C(C)C)n2	2869
+c1cc(ccc1F)OCc2cc(ncc2)Cl	2870
+FC(F)(F)C(C(c1cc(Oc2ccc(C(OC)=O)c(c2)Cl)ccc1Cl)C)(c3cc4N(C(=O)COc4cc3)C)O	2871
+CC(C)(C)OC(=O)NC1CN(CC1)C(CN(c2ccc(cc2)Oc3ccccc3)C(=O)C=Cc4ccccc4)=O	2872
+c1cc(ccc1[N+]([O-])=O)Oc2ccc(cc2)-c3occn3	2873
+c1cc(ccc1)Oc2cc(C)c(c(c2)C)C(C)=O	2874
+c1c(cc2nsnc2c1)Oc3c(cccn3)C(OCC)=O	2875
+c1(C)cc(cc(C)c1S(=O)(=O)N(CCO)C2CC2)OC	2876
+C1CC1NS(=O)(=O)c2c(OC)ccc(Oc3c(cc(cc3Cl)CC4C(=O)NC(=O)S4)Cl)c2	2877
+C1CC(CCC1)NS(=O)(=O)c2cc(C(O)=O)c3c(c2)OCCO3	2878
+c1ccccc1S(=O)(=O)c2cc(c(CCC)cc2)S(=O)(=O)NCCc3ccccc3	2879
+c1cc(ccc1S(=O)(=O)Nc2c(cc(Cl)cc2)C(=O)c3ccccn3)C4(CCOCC4)C	2880
+O=S(=O)(c1ccc2c(c3cc(ccc3s2)S(=O)(=O)NC)c1)Nc4ccccc4S(=O)(=O)N	2881
+CN(C)Cc1cc(-c2cc3c(cc2F)n(nc3)C4OCCCC4)cnc1	2882
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cc(cnc3)NC(=O)C(C)(C)C	2882
+O=S(=O)(c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1)N	2882
+c1(CO)c(c(cnc1)-c2cc3CCC(N(c3cc2F)C)=O)C	2882
+c12c(N(C(=O)O1)C)cc(cc2)-c3cnccc3C(C)O	2882
+c1(CO)c(c(cnc1)-c2cc3CCC(N(c3cc2F)C)=O)C	2883
+C1CN(CCN1C)c2cc(nc(N)n2)N3Cc4cc(-c5cc6N(C(COc6cc5)=O)C)ccc4CC3C	2884
+c1cc(ccc1CC(OCC)=O)-c2c(C)cc(cc2)-c3onc(C)c3NC(OC(c4c(F)cccc4)C)=O	2884
+c1cc(ccc1OC)-c2cccc(c2)OCC(O)CN3CCc4c(C3)cccc4	2884
+O=S(=O)(c1ccc(-c2cc(ccc2F)Br)c(OC)c1)CC	2885
+C(=C(C(=O)O)OC)c1cc(c(cc1)-c2cc(ccc2)N(C(=O)NCCCCCCC)C)OCCCC	2886
+CN(C)S(=O)(=O)c1c(cc(cc1)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C)C(O)=O	2887
+c1ccccc1COC(N2CCCC2c3ccc(cc3)-c4cc(NC(C5CC5)=O)ccc4)=O	2887
+Clc1cc(c(cc1)-c2cc(c(cc2)CC)[N+]([O-])=O)F	2888
+C(C)N(CC)C(=O)c1c(c2c(c(-c3ccc(cc3)OC)c1)cccc2)OC	2889
+CC(C)(C)c1cc2C(=O)C(Cc2c(-c3ccccc3)c1OCC(C)C)C	2889
+CC(C)(C)c1cc2ccc3ccc(-c4ccc(cc4)Cl)c5ccc(c1)c2c35	2889
+CC1(C)c2cc(-c3cc(Cl)ccc3)ccc2NC1=O	2889
+c1ccccc1-c2ccc(C)c(C#N)c2	2889
+c1cc(ccc1)-c2cc3c(NC(C3)=O)cc2	2890
+c1cc(ccc1C2(CC2)C(=O)OCC)-c3ccc(cc3)-c4c(NC(CCc5c(Cl)cccc5)C)c(no4)C	2891
+c1cc(ccc1F)C=CC(F)(F)C(O)c2c(C)noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC	2891
+c1ccccc1C(C)CNCc2c(noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)C	2891
+c1ccccc1C2C(C2)C(Nc3c(-c4ccc(cc4)-c5ccc(cc5)C6(CC6)C(=O)OCC)onc3C)C	2891
+c1cc(ccc1-c2cc3OCOc3cc2-c4ccc(cc4)F)S(=O)(=O)N	2892
+c1(c(cc(OC)c(c1)C(=O)O)-c2ccccc2OCC)Cl	2893
+C1CCCCN1c2cc(c(cc2)[N+](=O)[O-])-c3nccc(c3)C=O	2894
+CC(C)(CC1(CCN(C(O1)=O)C(C)c2ccc(cc2)-c3nnc(C)cc3)c4ccccc4)C#N	2895
+CC(C)(c1cc2[nH]c3c(c(-c4cccc(c4C)N5C(N(C)c6c(ccc(F)c6)C5=O)=O)c(cc3C(=O)N)Cl)c2cc1)O	2896
+C(OC)CCOc1cc(CCC(OCC)=O)ccc1-c2cnccc2	2897
+C1CC1c2c(cncc2F)-c3cc4CCc5nnc(C)n5-c4c(F)c3	2898
+CCOC(c1c(n(C2COCC2)nc1)-c3ccc(cc3[N+]([O-])=O)-c4c(cc(OCC)nc4C)C)=O	2898
+c1cc(ccc1-c2cc3ccncc3nc2O)N4C(C(C)(C)OC4=O)c5ccccc5	2898
+CC(C)(C)C(NC(=O)c1ccc([n+](c1)[O-])-c2c(c(F)cc(C(NC3CC3)=O)c2)C)C	2899
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(nn2)-c3ccc(cc3OC)O	2900
+FC(F)(F)c1c(c(c(COc2cnc(cc2)-c3ccc(cc3C)CC(=O)OC)cc1)C(OC(C)(C)C)=O)O	2901
+c1cc(ccc1C(CC)(CC)c2cc(C)c(C=CC(CC)(CC)O)cc2)-c3ncc(cc3)CC(OCC)=O	2902
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cncc(c3)NC(Cc4ccccc4)=O	2903
+CC(C)(C(O)=O)c1cncc(-c2ccc3c(CCC(=O)N3C)c2)c1	2904
+CC(C)(C)OC(NCCOc1cncc(-c2cc3CCC(=O)N(C)c3cc2)c1)=O	2904
+CC(C)(CC1(CC(N(C(C)c2ccc(cc2)-c3ccc(O)nc3)CC1)=O)c4ccccc4)O	2904
+FC(F)(F)Oc1cnc(cc1)-c2ccc(C(O)(C(C)(C)C)c3cncnc3)c(C)c2	2905
+O=Cc1ccc(cc1[N+]([O-])=O)-c2ncccc2	2905
+c1cc(ccc1-c2c(cccn2)C(O)CCCc3ccccc3)-c4ccc(cc4)C5(CC5)CC(=O)OCC	2905
+O=S(=O)(N(C)c1c(cc2c(oc(C34C(CCC3)C4)c2C(NC)=O)c1)-c5nc-6c(cc5)OCn7c8cccc(F)c8cc-67)C	2906
+c1cc(ccc1C23CCC(CC2)(OC3)CC(OC)=O)-c4ncc(N)cc4	2907
+O=S(=O)(C)NCc1cc(F)cc(c1)-c2c([N+]([O-])=O)c(ccn2)N	2908
+c1cc(ccc1-c2nc(N)sc2C)OC	2909
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	2910
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2cccc(-c3nc(C4CCOC4)sc3-c5nc(ncc5)Cl)c2F	2911
+c1(cnccc1-c2cc(c(nc2-c3c(cccc3)F)N)[N+]([O-])=O)F	2912
+c1cc(ccc1)-c2noc3c2c(nc(C(=O)OCC)c3O)-c4cn(Cc5ccccc5)nn4	2913
+c1cc(ccc1C(C)(C)O)-c2cnc3NC(=O)CN(CCC4CCOCC4)c3n2	2914
+CC(C)(C)OC(=O)NC1(CC1)c2ccc(cc2)-c3c(-c4ccccc4)nc5-c6ccccc6Nc7ncccc7-n35	2915
+c1cc(ccc1-c2cnn(C)c2N)-c3ccc(cc3)C4(CC4)C(=O)OCC	2916
+C1CC1C(=O)N2C(C)CCc3c2ccc(-c4cnn(c4N)C5CC5)c3OC6CCC6	2917
+C1C(CC1=O)(c2ccc(cc2)OCc3cc4c(-c5ccc(OCCOCC)cc5C)csc4cc3)CC(OCC)=O	2918
+Clc1cc2c(c(sc2cc1)-c3ccnc(n3)N)CC	2919
+CC(C)(C)OC(NC(C)c1cc(no1)-c2[nH]c3c(ccc(c3)C(F)(F)F)n2)=O	2920
+CC1(C)OCC(CO1)c2cc(cnc2)-c3nc4cccc(-c5ccccc5)c4c(NCc6ncccc6)n3	2921
+c1cc(cc(c1)-c2c(C)nc3c(c(Cl)ccc3)n2)F	2922
+CC1CN(CC(C)O1)c2c(cc(c(F)c2F)-c3cnc(N)cn3)C=O	2923
+C1CN(CCC1=O)c2cccc(-c3ccnc(Cl)n3)c2	2924
+c1(C=O)cc(c(C)cc1)-c2ccnc(Cl)n2	2924
+c1c(c(C=O)c(c(c1)-c2ccnc(Cl)n2)C)OC	2924
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)-c4c(F)cncn4)=O	2925
+c1cc(ccc1S(=O)(=O)N)-c2nn(C3CCOCC3)c4ccnc(OC)c24	2926
+CC(C)(C)OC(=O)N1CC=C(c2sc(nn2)-c3ccc(-n4cccn4)cc3OC)CC1	2927
+FC(F)(F)c1cc(ccc1OCCCOC2CCCCO2)B(OC(C)C)O	2928
+COB(O)c1cc(c(F)cc1)OC	2929
+OB(O)c1ccc(CCOC(Nc2cccc(C#N)c2)=O)c(CC)c1	2930
+C(=O)(OC)C(C)c1c(F)cc(Br)c(c1)F	2931
+c1(cc(cc(Cl)c1C)Br)Cl	2931
+c1ccccc1C2c3ccc(OC)cc3CCN2	2932
+c1ccccc1C2c3ccc(OC)cc3CCN2	2933
+c1cc(ccc1)C=2c3ccc(cc3CCN=2)OC	2934
+c1c(c(O)c(Cl)cc1)CC=C	2935
+COc1cc(c(F)cc1)-c2ccc(cc2I)C(=O)OC	2936
+FCC1(CF)Oc2c(cc(I)cc2)C(=C1)C(OCC)=O	2936
+O=S(=O)(c1cc(cc(C(O)=O)c1)N)C	2937
+c1(F)c(Br)cc(C=O)c(N)c1	2937
+c1cc(C(C)C(O)=O)cc(N)c1N	2938
+c1cc(ccc1N)C23CN(CC2C3)C(C)=O	2938
+C1CC(CCN1C(=O)C)c2c(cc(C(=O)C)cc2)N	2939
+CC1(C)CC(c2cc(N)ccc12)=O	2940
+c1(cc(F)ccc1Oc2c3c(nc(cc3)Cl)ccc2OC)F	2941
+C1CNCCN1c2ccc3c(c(ccc3)Br)n2	2942
+CC(C)(C)OC(=O)NC1CCCN(c2ccc(Nc3c(cnc4ccc(nc34)-c5cc(c(c(F)c5)O)Cl)C(C)=O)cn2)C1	2943
+c1(cc2cc(OC)ccc2nc1Cl)[N+]([O-])=O	2944
+c1(cc2cccc(C)c2nc1Cl)[N+]([O-])=O	2944
+c1c2c(ccc(c2Oc3c(cc(F)cc3)F)OC)nc(O)c1	2945
+CC1(C)CC(=O)Nc2cc(ccc12)C(C(=O)OCC)CCCCC	2946
+CC(C)(C)OC(CNC(C=1C(=O)C(C)(C)c2c(ccc(c2F)O)C=1O)=O)=O	2947
+C1(=O)c2c(NC1=O)c(c(Cl)cc2)C	2948
+c1c(C)nc(cc1-c2nc3cc(cc(F)c3c(O)n2)F)C	2949
+c1cc(ccc1)OCc2c3ccc(OC)cc3c(Cl)nn2	2950
+C1CN(CCC1Nc2c3cc(ccc3c(-c4c(cccc4)OC)nn2)OC)Cc5cc6ccccc6cc5	2951
+c1(O)nnc(c2ccc(OC)cc12)-c3cc(F)ccc3	2952
+c1(ccccc1-c2nnc(Cl)c3c2ccc(OC)c3)OC	2953
+Clc1cccc(c1)-c2oc3C=CN(c4cc5c[nH]nc5cc4)C(c3c2)=O	2954
+CC(C)(C)OC(n1c2c(c(OC)ccc2)c(N)n1)=O	2955
+CC(C)(C)Cc1nc2c(ccc(S(=O)(=O)C(C)C)c2)n1CC3CC3	2956
+CC(C)(C)OC(=O)N1CCC(CC1)n2c(nc3c2ccc(C)c3)-c4ccccc4	2957
+CC(C)Cn1c2c(nc1COc3cccc(OCC)c3)ccc(O)c2	2958
+CC1(C)c2c(cc3[nH]c(SCc4ccccn4)nc3c2)C(C)(C)CC1	2959
+C1CC1n2c3c(nc2-c4cccnc4)ccc(c3)C#N	2960
+C1CN(CCC1n2ncc(-c3cc(c(nc3)N)-c4oc5c(ccc(OC)c5)n4)c2)C	2961
+C1CC(CCN1C)Oc2cc(cc3ncnc(Cl)c23)OC	2962
+C1CN(CCC1Oc2cc(OC)cc3c2c(Nc4n[nH]c(CC(O)=O)c4)ncn3)C	2963
+c1(oc2c(c1)cc(C)cc2)C(=O)OCC	2964
+CC(C)(C)OC(=O)N1C(Cc2oc3ccccc3n2)CCCC1	2965
+FC(F)(F)c1cc2nc(oc2cc1)-c3c(I)cncc3	2966
+c1cc(ccc1)Cn2c(cc3nc(Cl)ccc23)-c4ncco4	2967
+Fc1cccc(F)c1-c2nc3c(s2)c(OC)cc(c3)OC	2968
+Fc1cccc(F)c1-c2nc3c(s2)c(OC)cc(c3)OC	2969
+c1c(OC)c2ccsc2c(F)c1	2970
+c1(cc(F)ccc1Oc2c3c(nc(cc3)Cl)ccc2OC)F	2971
+c1cc(ccc1OC)C(=O)c2cc3c(nc(nc3cc2)Cl)-c4cc(ccc4)Cl	2972
+c1cc(ccc1OC)C(=O)c2cc3c(nc(nc3cc2)Cl)-c4cc(ccc4)Cl	2973
+C1CCCC(n2c(OC)nc3c(nc(OC(CC)C)nc23)N)O1	2974
+C1CCCC(n2c(OC)nc3c(nc(OCC(C)CC)nc23)N)O1	2974
+CC1(C)CC(N(c2cc3[nH]c(nc3cc12)-c4[nH]nc5ccccc45)CC)=O	2975
+c1cc(ccc1OC)C(c2cc3c(nc(nc3cc2)O)-c4cccc(Cl)c4)=O	2976
+c1(c(c2[nH]ccc2cc1Br)C(=O)O)F	2977
+c1(cc2n[nH]cc2cc1Br)F	2978
+FC(F)(F)c1ccc(cc1C)C#N	2979
+c1cc(ccc1)-c2c(oc(n2)C)-c3ccc4n(c3)c(nn4)C(C)C	2980
+N#Cc1ncc(C)cc1[N+](=O)[O-]	2981
+FC(F)(c1ccc(C)cn1)CO	2982
+C(CCOCCCc1ccc(cn1)[N+]([O-])=O)CCCBr	2983
+n1cc(c2cc(OC)c(cc2c1F)F)OC	2984
+C1CC1Nc2ncc3CN(c4cc(-c5nccs5)c(Cl)cn4)CCc3n2	2985
+C1CC(CCN1c2c(C#N)cc(C(=O)OCC)c(n2)C)S(=O)(=O)NS(=O)(=O)Cc3ccccc3	2986
+c1cc(-c2c(C)ccc3c2ccnc3NCc4cc(OC)c(cc4)OC)cc5c1nc(NC)nc5	2987
+Cc1nc(c(cc1C(=O)OCC)C#N)NC2CCC(C(=O)O)C2	2988
+c1(cccc(F)c1)COc2nc3c(C(NCC3)=O)cc2	2989
+CN(C)CCNC(=O)Cn1cc(-c2ncc3[nH]c4ncc(OC)cc4c3c2)cn1	2990
+c1c(Cl)nc2c(C(NCC2)=O)c1	2991
+Nc1cc(OCC#C)c(OC)cc1C(=O)OC	2992
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C)cccc2F	2993
+CC(C)(C)OC(N1CC=C(CC1)c2c(C)cccc2F)=O	2994
+c1c(C)c(c(cc1OCC2CN(C)c3ccccc3O2)C)C(=O)Cl	2995
+CC(C)c1cccc(C(C)C)c1C(Cl)=O	2996
+C(NC(C)=O)Cc1cc2c(OCO2)cc1CC#N	2997
+CC(C)c1c(cc2OCOc2c1)CC#N	2997
+c1cc(ccc1)[Si](c2ccccc2)(Oc3cc(OC)c(c(c3)OC)CO)C(C)(C)C	2998
+Nc1c(O)c(Cl)cc(F)c1N2N=NN(CCCF)C2=O	2999
+O=S(=O)(O)c1cc(c(cc1OC)OC)N	2999
+c1(cc(c(CNC(c2cn(nc2OCC)CCOc3c(CC(OC)=O)cccc3OCC)=O)cc1)Cl)Cl	3000
+c1(cc(c(CNC(c2cn(nc2OCC)CCOc3c(CC(OC)=O)cccc3OCC)=O)cc1)Cl)Cl	3001
+c1cc(ccc1S(=O)(=O)N)-c2cc(-c3c(C)c(c(s3)C(OC)=O)C)ccc2OC	3002
+C1CC(CCC1)N2N(C(C)=C(NC(=O)c3c(c(Br)on3)C)C2=O)C	3003
+C1CC(CCC1)N2N(C(C)=C(NC(=O)c3c(c(Br)on3)C)C2=O)C	3004
+FC(F)(CNC(c1ncccc1C)=O)c2c(cc(Cl)cc2)Cl	3005
+CC(C)(C)OC(=O)NC1=NC(c2c(c(F)cc(c2)NC(=O)c3ncc(C#N)cc3C)F)(COC1)C(F)F	3006
+FC(F)(F)c1c2c(c(C3CCN(CC3)C(=O)C)cs2)ccc1	3007
+C1Cc2c(CC1)c(NC(=O)C)cc(F)c2C	3008
+Fc1c(F)c2c(c(NC(=O)C)c1)CCCC2	3008
+O=S(=O)(NC1c2cncc(-c3cc(c4c(CCC(=O)N4C)c3)F)c2CCC1)CC	3009
+C[Si](C)(C)CCOCn1cc(nc1-c2ccc(cc2Cl)-c3c(cc(nc3)OCC4(CCC4)C(OCC)=O)C)C(F)(F)F	3010
+Clc1ccc(c(Cl)c1)-c2cnc(cc2C#N)N	3011
+CC1(C)Cc2c(O1)cc(cc2-c3cnc(N)c(c3C)C#N)Cl	3012
+FC(F)(F)c1c2c(n(c(n2)Oc3c(C)cc(Cl)cc3Cl)C)c(C(CC)CC)cc1	3013
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3sc(NC(=O)C4CC4)nc3cc2)c(Cl)cc1F)=O	3014
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3sc(NC(=O)C4CC4)nc3cc2)c(Cl)cc1F)=O	3015
+CN(C)c1ncc(c(C)c1)Nc2nc3c(c(C(CC)CC)ccc3Cl)n2CCCC(=O)OCC	3016
+C1CN(CCN1C)c2c3nc(-c4[nH]nc5c4ccc(Br)c5)[nH]c3ccc2	3017
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3c(nc(N)s3)cc2)c(Cl)cc1F)=O	3018
+C1COC2(O1)CCN(CC2)C(=O)Nc3nc4c(s3)c(C5CCOCC5)ccc4OC	3019
+c1c(C(=O)OC)sc2c(F)ccc(OC)c12	3020
+C1CN(CCO1)c2ccc(c3nc(N)sc23)OC	3021
+c12C(CCc1c(cc(Br)c2F)F)O	3022
+C1CN(CCC1N2CCCCC2)c3c(C(C)=O)cc(c4cccnc34)Cl	3023
+c1cc(ccc1Oc2c3c(ccc2)c(c(nc3C#N)C(=O)OC)O)OC	3024
+C1CNCCN1c2c(cccn2)OC	3025
+O=S(=O)(Nc1cc(cnc1Cl)Nc2ncccc2-c3nc(C)nc(N)n3)N4CCOCC4	3026
+c12CCCCc1nc(c(c2)[N+]([O-])=O)N	3027
+S(c1cc(Oc2c(nccc2)CC)c(N)nc1)c3ccccn3	3028
+O(c1c(OCC)cccn1)C	3029
+c1ccccc1-c2nnc(Cc3ccc(cc3)Oc4ncccc4-c5ccnc(n5)NC)c6ccccc26	3030
+c1cc(ccc1-c2c(O)nccc2)C(OC)=O	3031
+c1cc(ccc1-c2c(O)nccc2)C(OC)=O	3032
+CC(C)(C)OC(=O)N1CCc2c(cc(cc2)-c3c(cccn3)OCc4cc(C)ccn4)CC1	3033
+c1([N+]([O-])=O)ccc(nc1)Oc2c3c(OCC(C3)C)ccc2	3034
+C1CCCCN1C2Cc3cc(Oc4ncc(cc4)C(=O)NC)ccc3C2	3035
+c1ccccc1COc2c3n(ccc2)cnc3	3036
+C1CN(CCN1C2COC2)c3c(F)cc(Nc4nc(Cl)ncn4)cc3	3037
+c1(-n2cc(nc2)CO)c(cc(cc1)Nc3nc(nc(Cl)n3)OC)OC	3038
+CC(C)c1ccc(nn1)N	3039
+C1C(CN1c2nc(C)nc(-n3nc(nc3C)C)c2)c4nc5ccccc5[nH]4	3040
+CC(C)(C)OC(NC(C(=O)OCc1ccccc1)CCc2nc3c([nH]2)cc(C)c(C)c3)=O	3040
+C1COCCN1c2cc3c([nH]c(n3)C(F)F)c(C(=O)OC)c2	3041
+C1CC2(CCN1Cc3n(CC)c4nc(Cl)nc(c4n3)N5CCOCC5)CCNC2=O	3042
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(-c3[nH]c4ccccc4n3)ccc2	3043
+c12cnc(Cl)c(F)c1c3c(nccc3)[nH]2	3044
+C(c1cnn(c1)CCF)#Cc2cc(-c3cccnc3F)ccc2	3045
+FC(F)(F)c1nn(cc1C(N(C2CCN(CC2)c3nnc(c(C)c3C)-c4ccc(cc4)F)C)=O)Cc5ccc(cc5)OC	3046
+c1([N+]([O-])=O)ccc2c(cn(c2c1)C)C(=O)O	3047
+[nH]1c2c(c(C(=O)c3cc([N+]([O-])=O)ccc3)c1)cc(cn2)-c4cnccc4	3048
+O=S(=O)(n1ncc(c1)C=O)c2ccc(cc2)C	3049
+CC(C)(C)NS(=O)(=O)c1cn(C)c(C(OC)=O)c1	3050
+O=S(=O)(c1cccc(-c2sc(cc2)-c3nn(C)cc3-c4ccccc4Cl)c1)C	3051
+CC(C)n1cc(-c2nc(N)ncc2)c(I)n1	3052
+c12c(cncc1sc(-c3c(F)cccc3Cl)n2)F	3053
+Clc1cc(cc(Cl)c1)-c2ccn[nH]2	3054
+c1cnccc1-c2cc[nH]n2	3054
+c1ccccc1CCCC(n2cnc3c(nc(nc23)Cc4cc(c(cc4)Cl)OC(F)F)O)C(O)C	3055
+Clc1cccc(c1)-c2c(ncn2C)-c3cc(C#N)ccn3	3056
+c1cc(ccc1Cl)-c2c(n[nH]c2N)C3CC3	3057
+Cc1cc(ccc1)CC(N2CCc3c2ccc(-c4c5c(n(CC)n4)ncnc5N)c3)=O	3058
+C1CN(CCO1)C(c2c(n(C)nc2)C(=O)Nc3cc4n(nc(N5CCCC5)n4)cc3)=O	3059
+C1COCCN1c2nn3cc(NC(c4c(cnn4C)C(N5CC(C5)F)=O)=O)ccc3n2	3059
+C(OC)CCNC(c1cnc(-n2ncc(c2OC)-c3cc(C)c(cc3)C#N)cc1)=O	3060
+C(OC)CCNC(c1cnc(-n2ncc(Br)c2OC)cc1)=O	3061
+c1c(F)c(c(cc1CCC2NCCCc3n(CC)nc(C)c23)F)C	3062
+c1c(F)c(c(cc1CCC2NCCCc3n(CC)nc(C)c23)F)C	3063
+C1C(CN1c2ncnc3c2c(I)nn3C)F	3064
+CC(C)n1ncc2c(N3CC4CCC(C3)O4)nc(nc12)-c5ccc(cc5)[N+](=O)[O-]	3064
+n1(ncc2c(c(cnc12)C(=O)OCC)O)CC	3065
+FC(F)c1cc(c(cc1-c2ccnn2C(C)C)C(OC)=O)N	3066
+c1cc(ccc1[N+](=O)[O-])Nc2c3ncn(C)c3nc(Cl)n2	3067
+c1cc(nc(Cl)c1OCOC)C#N	3068
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	3069
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	3070
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	3071
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(C(=O)N)n(C)c2CC3CCCCC3	3072
+c12[nH]c(cc1cc(Oc3cnc(cc3)COC)cc2OC)C(=O)N	3073
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(c2)cc(C(N)=O)[nH]3	3074
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(N)=O)n(C)n4	3075
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(N)=O)n(C)n4	3076
+NC(=S)c1cc2c([nH]1)c(cc(c2)Oc3cnc(cc3)COC)OC	3077
+NC(=S)c1cc2c([nH]1)c(cc(c2)Oc3cnc(cc3)COC)OC	3078
+c1cc(ccc1Cn2nc(cc2-c3cc(C)c(Cl)cc3)C(Cl)=O)C	3079
+CC1CCCC(C)N1C(=O)c2csc(n2)Br	3080
+C1CN(CCO1)C(=O)c2[nH]cc(C)c2-c3ccc(cc3)Cl	3081
+c1cc(ccc1F)-n2c(COc3cnc(C(NC(C)(C)CO)=O)cn3)c(C)nn2	3082
+C1CC1NC(c2ncc(OCc3c(C)onc3-c4ccccn4)cc2)=O	3083
+CC(C)(O)CNC(c1ccc(Cn2c(c(c(n2)C)-c3cc(c(C#N)cc3)Cl)C)cn1)=O	3083
+C1COCCN1CCNC(=O)c2cc(c([nH]2)C=O)C	3084
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(c2F)CNC(c3cc4c(c(C)ccc4)[nH]3)=O)c1	3085
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(n(C)n4)C(Cl)=O	3086
+c1(CCC(OCC)=O)[nH]cc(c1)CCCC	3087
+ClCc1nc2c(cc3c(c2)CC4(c5cccnc5NC4=O)C3)cc1	3088
+ClCc1nc2c(cc3c(c2)CC4(c5cccnc5NC4=O)C3)cc1	3089
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc3c(n2)nc(-c4cccc(c4)[N+]([O-])=O)o3)=O	3090
+C1CN(CCO1)c2nc(Cl)nc3c2nc(CN4CC(C4)C5CCOCC5)cc3	3091
+CC(C)(C)OC(=O)Nc1nc(CN2CCCC2)ccc1	3091
+C1CN(CCN1Cc2nccc(OC)n2)c3nc4N(CCCc4c(O)n3)C	3092
+CC(C)(C)OC(=O)N(C)CCCCN(Cc1c(C)cc(cn1)C)Cc2nccc3c2cccc3	3093
+O=C1c2ccccc2C(=O)N1CCCCN(C3c4c(CCC3)cccn4)Cc5nc6ccccc6n5C	3094
+CC(C)(C)OC(=O)N(C)CCCCNCc1c(C)cc(C)cn1	3095
+c1(N2CCOCC2C)nc(Cl)nc(CO)c1	3096
+c1c(ccc(C=Cc2occ(COc3cccc(c3)CCCn4nncc4)n2)c1F)F	3097
+c12cc3c(cc1nc(cc2)CO)CC4(c5cccnc5NC4=O)C3	3098
+CC(C)(C)OC(N1CC(Nc2c3c(Cl)cccc3cc(n2)C=4NNC(=O)N=4)CC1)=O	3099
+c1ccccc1-c2cc3c(C(C(=O)N3)=Cc4[nH]c(c(C(=O)NCCCN(CC)CC)c4C)C)cc2	3100
+CC(C)(C)[Si](C)(C)Oc1c(Br)ccc2ccc(nc12)C=NNc3ncccc3	3101
+CC(C)(C)OC(=O)N1CC2(C1)OCc3c2cnc(C=NO)c3	3102
+CC(C)(C)OC(=O)N(CC(=O)OC(C)(C)C)c1nc(ccc1)C=NO	3103
+c1cc(ccc1-c2cc([nH]n2)C=O)OC	3104
+c1ccccc1-c2noc(c2-c3cn(-c4ccc(cc4)[N+]([O-])=O)c(n3)C=O)C	3105
+CC(C)(C)OC(N(c1cccc(n1)C=O)CC(OC(C)(C)C)=O)=O	3106
+c1cc(ccc1)C(c2ccccc2)C(=O)Nc3cnc(nc3O)C=O	3107
+O=Cc1csc(-c2c(cc(C)cc2)[N+]([O-])=O)n1	3108
+c1cc(ccc1C(C(=O)Nc2sc3nc(OC)ccc3n2)CC4CCCC4)S(=O)(=O)CC(C)=O	3109
+C1CC(CCN1C(Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)=O)(O)C	3110
+C1COCCC1C(NC(Nc2ncc(cc2)Oc3ccnc(NC(=O)C)c3)=O)=O	3111
+C1N(CC1Oc2ccc(cc2)Cl)CC3C(CCCC3)NC(=O)Nc4nnc(s4)CC	3112
+CC(C)(C)c1cc(n(-c2ccc(cc2)CC(OCC)=O)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	3113
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(C(Nc4cnc(cn4)C)=O)cc(OC5COCC5)c3	3114
+c1cc(ccc1)COc2cc(OC3CCOC3)cc(c2)C(Nc4cnc(cn4)C)=O	3114
+n1c(C)cc(nc1SCc2c(c(SCCCSc3nn4c([N+](=O)[O-])cnc4cc3)ccn2)C)C	3115
+c1([nH]c2c(cccc2)n1)-c3n[nH]c4c3cc(I)cc4	3116
+C1CC1NC(c2cnn3ccc(nc23)N4C(c5cc(cc(OCCOC)c5)F)CCC4)=O	3117
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(C(NCC(CO)O)=O)cnn14	3117
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c(nc3cc(ccc3c12)OCc4ccccc4)N	3118
+C1COCCN1c2c3c4ccncc4[nH]c3ncn2	3119
+c1ccccc1Nc2c3ccc(Cl)nc3ncn2	3120
+FC(F)(F)c1c(sc(CNC(=O)OC(C)(C)C)n1)C#N	3121
+CC(C)(C)Nc1nc(SC)ncc1C(=O)N	3122
+CC(C)(C)OC(=O)N1CCCC(c2cc(c(N)nc2)-c3n(-c4c(c(F)ccc4)F)nnn3)=CC1	3123
+C1CN(CCS1)C(c2c3n(ccc3c(Nc4cccc(Cl)c4)nc2)C)=O	3124
+C[Si](C)(C)CCOCn1c2c(c(c1)C(=O)NCC(C)(C)CO)nc(-c3c4ccc(cc4n(C)n3)F)cn2	3125
+c1cc(ccc1C(C#N)NC(=O)c2nnn(c2)CCNC(c3c(c(c(cc3)OC)OC)OC)=O)Br	3126
+FC(F)(F)c1c(-c2nc(C(Nc3ncccc3N4CCC(CC4)(NC(=O)OC(C)(C)C)C)=O)c(nc2)N)nccc1OC	3127
+FC(F)(F)c1c(-c2nc(C(Nc3ncccc3N4CCC(CC4)(NC(=O)OC(C)(C)C)C)=O)c(nc2)N)nccc1OC	3128
+C1CC(CCN1c2nc(Cl)c(CO)nc2Cl)=NOC3CCN(CC3)C(=O)OC(C)C	3129
+CC(C)(C)OC(=O)Nc1cccc(c1)Nc2nc(SC)ncc2C=O	3130
+c1c(C(OC)=O)ncc(N)c1N	3131
+CC(C)(C)OC(=O)NC(C(Nc1cnc(nc1)Oc2cccc(C(C)C)c2)=O)C	3132
+c1cc(ccc1-c2cc(c(N)nc2)OCc3c(Cl)cccc3Cl)OCCN4CCOCC4	3133
+C1CCCCC1NC(C2(CC2)c3ccc(-c4ccc(C(NCC)=O)nc4)cc3F)=O	3134
+c1cc(ccc1)-c2nc(nnc2-c3cc4ccoc4cc3)N	3135
+CN(C)C(Cc1cc(cnc1)-c2cnc3N(C(=O)N)CCCc3c2)=O	3136
+C1CC(CCC1=O)n2ncc(c2)-c3cnc4[nH]cc(C(C)c5c(Cl)ccc(F)c5Cl)c4c3	3137
+c1ccccc1CCCN2c3c(N(C(=O)C(F)(F)C2)C)cnc(Cl)n3	3138
+c12c(O)c(C#N)cnc1cc(c(OC)c2)F	3139
+c12c(O)c(cnc1cc(c(OC)c2)F)C(=O)N	3140
+C1CN(CCC1c2ccc(cc2)F)C(=O)c3cnc(cc3Nc4cc(C)ccc4Cl)O	3141
+c1cc(ccc1-c2n(cc(C(=O)N3CC4C(C3)C4)c2C)C)Cl	3142
+c1cc(ccc1)-c2c(COc3ccc(cn3)C(NC(CO)C)=O)c(on2)C	3143
+c1cc(ccc1-c2c(ncc(C(=O)NC3CCCCC3O)c2)Cl)Cl	3143
+c1cc(ccc1F)-c2c(n(nn2)C)C#Cc3ccc(C(NC4CCOCC4)=O)cn3	3143
+CC(C)Nc1cc(ncc1C(NC2CCC3(CC2)OCCO3)=O)Nc4cc5c(ncs5)cc4	3144
+C1CCCN1CCCNC(=O)c2c(c3c(C4c5ccccc5NC4=O)ncnn3c2)C	3145
+C1CN(CCN1C)c2ncc(cc2)C(=O)NCc3ccccc3	3145
+CC(C)(C)OC(=O)NCC(c1ncc(C(=O)NCc2ccccc2)cc1)O	3145
+Brc1ccc(cn1)C(=O)Nc2ncc(C(Nc3ncc(cc3)Br)=O)cc2	3146
+c1ccccc1Nc2c(C(Nc3ccccc3Cl)=O)cnc(c2)NC(NCC)=O	3147
+FC(F)(F)c1c(cccc1)-c2n(C)cc(C(Nc3ccc(cc3)S(=O)(=O)C)=O)c2C	3148
+FC(F)(F)c1cc(ccc1-c2c(C)c(c[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)C)F	3148
+COc1cnc2ccc(F)c(c2n1)CC#N	3149
+c1cc2ccc(nc2c(c1F)CC#N)OC	3149
+O(C)c1c(CCl)cnc(C)c1Cl	3150
+C(O)c1ccc(Br)c2oc(nc12)C	3151
+O(c1ncc(CO)cc1[N+](=O)[O-])C	3152
+C(c1c2nc(oc2c(cc1)Br)C)=NO	3153
+O(c1ncc(cc1[N+](=O)[O-])C=O)C	3154
+O=Cc1c2nc(oc2c(cc1)Br)C	3155
+O(c1ncc(cc1[N+](=O)[O-])C=O)C	3156
+O=Cc1c2nc(oc2c(cc1)Br)C	3157
+c1cc(ccc1C(Nc2cnc(cc2)OCC(OC)=O)=O)F	3158
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CNc3cncc(c3)C)=O	3159
+O=S(=O)(Nc1c2c(cc(c1)N3CCOCC3)n(c(C)n2)Cc4c5c(ccc4)cccc5)C	3160
+O=S(=O)(Nc1cn(c(C#N)c1)C)C	3160
+C(C)OC(c1nc2n(cc(-c3[nH]nnc3)cc2)c1)=O	3161
+c1cc(ccc1Cc2oc(nn2)-c3c(c4C(=O)N(C)CCn4c3)OC)F	3162
+c1(c(nc2cc(OC)c(OC)cc2c1)Cl)C#N	3163
+c1c2c(ccc1OC)nc(Cl)c(C#N)c2	3164
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)OCC)n2	3165
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)OCC)n2	3166
+FC(F)(F)c1nn(c(c1)CO)-c2ccc(cc2)[N+]([O-])=O	3167
+Clc1cccc(CNc2cc(n(C)n2)C=O)c1	3168
+CC1(C)CC(CC(C)(C)N1C)Oc2ccc(C(Nc3ccc(cc3)NC(Nc4n(nc(c4)C(C)(C)C)C)=O)=O)nc2	3169
+c1c(Oc2cccc3sncc23)c(cc(c1)Nc4ncnc5ccn(C)c45)Cl	3170
+CC(C)(C)OC(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	3171
+C1CC(CCC1n2cc(nc2)C=O)C	3172
+C(C)C(CC)c1c2n3CCCCN(c3nc2c(Cl)cc1)c4c(cc(nc4)N(C)C)C	3173
+O(C)c1c(OC)ccc(-c2nn3c(-c4ccc(C#N)nc4)cnc3s2)c1	3174
+c1cc(ccc1CNC(C2(CC2)NC(c3onc(OC)c3)=O)=O)-n4c5c(c(Cl)c4-c6noc(n6)C)cccc5	3175
+c1cc(ccc1-c2c(c3cc(Br)c(cc3o2)NS(=O)(=O)C)C(OCC)=O)F	3176
+c1cc(ccc1-c2c(C(OCC)=O)c3cc(Br)c(N)cc3o2)F	3177
+C1CC1N(c2cccc(C#N)c2Cl)C(c3cc(N4C(=O)Nc5c(c(sc5)C(=O)N)C4=O)c(s3)Cl)=O	3178
+C1CC(CCN1C(=O)c2nc(-c3cc(Br)c(c(c3O)Br)O)cs2)Cc4ccccc4	3179
+CC(C)N1CCN(CC1)C(=O)c2nc(c(s2)-c3c4c(ccc3)cccc4)C	3179
+FC(F)(F)c1ccccc1CC(NC(c2scc(c2)-c3n(nc(Cl)c3CC)C)=O)CN4C(c5ccccc5C4=O)=O	3180
+FC(F)(F)c1cc(ccc1)CC(CN2C(=O)c3ccccc3C2=O)NC(=O)c4sc(c(c4)-c5ccnn5C)Cl	3181
+FC(F)(F)c1ccccc1CC(NC(c2scc(c2)-c3n(nc(Cl)c3CC)C)=O)CN4C(c5ccccc5C4=O)=O	3181
+c1cc(ccc1Oc2ccnc3c2sc(c3)C(=O)NCCCC(=O)OCC)NC(Nc4cc(ccc4F)C)=O	3181
+c1cc(ccc1F)CN2C(=O)N(CC2)c3sc(c(C)n3)C(OCC)=O	3182
+C(Nc1c2c(Br)csc2ccn1)c3ncccc3	3183
+O1CCOC12Cc3sc4ncnc(Nc5cc(c(F)cc5)Cl)c4c3CC2	3184
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/primary/assignments.jsonl b/releases/n1-n5-composites-inchi-v1/payload/splits/primary/assignments.jsonl
new file mode 100644
index 0000000000000000000000000000000000000000..62379be3c9fe9f4fc78456e2a5ba9b2dbc595ecf
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/primary/assignments.jsonl
@@ -0,0 +1,4232 @@
+{"forced_train_missing_patent": false, "group_id": "705391b70f2ebb7282b41a4d56eec5f313340a6a6d3ea596b130e362d1683e8f", "molecule_inchi": "InChI=1S/C18H25BO4/c1-17(2)18(3,4)23-19(22-17)16-11-15(10-9-13(16)12-20)21-14-7-5-6-8-14/h9-12,14H,5-8H2,1-4H3", "partition": "train", "patents": [], "patents_complete": false, "product_smiles": "CC1(C)OB(OC1(C)C)c2c(C=O)ccc(c2)OC3CCCC3", "routes": ["[\"n1\",\"734\"]"], "row_index": 0, "rule_id": 0}
+{"forced_train_missing_patent": false, "group_id": "d7d7bb5c4fddf62b55bef5228c5df6343464ac915abab10d45a65e2af8ffba2c", "molecule_inchi": "InChI=1S/C9H18Br2O/c10-6-2-1-4-8-12-9-5-3-7-11/h1-9H2", "partition": "train", "patents": [], "patents_complete": false, "product_smiles": "C(Br)CCCCOCCCCBr", "routes": ["[\"n1\",\"119\"]"], "row_index": 1, "rule_id": 1}
+{"forced_train_missing_patent": false, "group_id": "1bc8f952e5577914528170765d1fa4840c4df0960389f2d12ccd894ddfa4ae0d", "molecule_inchi": "InChI=1S/C17H19BrO/c18-13-16-10-8-15(9-11-16)7-4-12-19-14-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-14H2", "partition": "train", "patents": [], "patents_complete": false, "product_smiles": "c1cc(ccc1CCCOCc2ccccc2)CBr", "routes": ["[\"n1\",\"4922\"]"], "row_index": 2, "rule_id": 2}
+{"forced_train_missing_patent": false, "group_id": "548ec5c767346cf82481a1f08810a29018b0ed1ae6ad3485b5fbbd61e2dc0486", "molecule_inchi": "InChI=1S/C14H28OSi/c1-7-10-13-14(11-8-2,12-9-3)15-16(4,5)6/h2H,7,9-13H2,1,3-6H3", "partition": "train", "patents": [], "patents_complete": false, "product_smiles": "C[Si](C)(C)OC(CC#C)(CCC)CCCC", "routes": ["[\"n1\",\"7293\"]"], "row_index": 3, "rule_id": 3}
+{"forced_train_missing_patent": false, "group_id": "981d652f20bb86e03a399ff093fd76a647ad56c9fa9a18f472f0692b8c8283fa", "molecule_inchi": "InChI=1S/C16H17N3O/c1-4-7-13-8-6-9-14(18-13)16-17-12(3)11-15(19-16)20-10-5-2/h2,6,8-9,11H,4,7,10H2,1,3H3", "partition": "train", "patents": [], "patents_complete": false, "product_smiles": "c1(nc(-c2nc(CCC)ccc2)nc(c1)C)OCC#C", "routes": ["[\"n1\",\"8870\"]"], "row_index": 4, "rule_id": 4}
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+{"forced_train_missing_patent": false, "group_id": "abcb5e2bdffba3e2eaa805648a5087ebc90aa3bc5b4da78e13e62d1462be1cf1", "molecule_inchi": "InChI=1S/C17H18FN3O3S/c1-3-24-15(22)14-11(2)19-16(25-14)21-9-8-20(17(21)23)10-12-4-6-13(18)7-5-12/h4-7H,3,8-10H2,1-2H3", "partition": "train", "patents": [], "patents_complete": false, "product_smiles": "c1cc(ccc1F)CN2C(=O)N(CC2)c3sc(c(C)n3)C(OCC)=O", "routes": ["[\"n1\",\"2088\"]"], "row_index": 4229, "rule_id": 3182}
+{"forced_train_missing_patent": false, "group_id": "7632b5ff14a145672fac39499429a4a94bb05370ea242dadaa6218f95ece7008", "molecule_inchi": "InChI=1S/C13H10BrN3S/c14-10-8-18-11-4-6-16-13(12(10)11)17-7-9-3-1-2-5-15-9/h1-6,8H,7H2,(H,16,17)", "partition": "train", "patents": [], "patents_complete": false, "product_smiles": "C(Nc1c2c(Br)csc2ccn1)c3ncccc3", "routes": ["[\"n1\",\"3689\"]"], "row_index": 4230, "rule_id": 3183}
+{"forced_train_missing_patent": false, "group_id": "300764873d52f44e9639310a542a70e1698307338d6c46c4c9d19761a7ca5dcd", "molecule_inchi": "InChI=1S/C18H15ClFN3O2S/c19-12-7-10(1-2-13(12)20)23-16-15-11-3-4-18(24-5-6-25-18)8-14(11)26-17(15)22-9-21-16/h1-2,7,9H,3-6,8H2,(H,21,22,23)", "partition": "train", "patents": [], "patents_complete": false, "product_smiles": "O1CCOC12Cc3sc4ncnc(Nc5cc(c(F)cc5)Cl)c4c3CC2", "routes": ["[\"n1\",\"5628\"]"], "row_index": 4231, "rule_id": 3184}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/primary/preparation.json b/releases/n1-n5-composites-inchi-v1/payload/splits/primary/preparation.json
new file mode 100644
index 0000000000000000000000000000000000000000..9ac1c02a439436df0e6e288f1830e480493597b8
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/primary/preparation.json
@@ -0,0 +1,46 @@
+{
+  "implementation": {
+    "identity.py": "373e417ec6647a82879f9377845a5fd555cfba89eeaa89fbab1dc096139f5b2a",
+    "splitting.py": "8b6fd9b1ef8ccd00effec63257f9f2155a7355d47a9f79dc8b0b0b430b5e219d"
+  },
+  "inputs": [
+    {
+      "path": "/Users/almazgil/Developer/projects/retrocomposite/data/releases/n1-n5-composites-inchi-v1/cohorts/primary/preparation.json",
+      "sha256": "776b6d10757d2bc56bda53b41cb4a60fb0a15e5ead2ac37450922ac6593ab22c"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/retrocomposite/data/releases/n1-n5-composites-inchi-v1/cohorts/preparation.json",
+      "sha256": "6eb8305855b81a4eb8ba6b144ae7390e259a8b3823516874dc32c8ff2fafd88d"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/retrocomposite/data/releases/n1-n5-composites-inchi-v1/cohorts/primary/support.json",
+      "sha256": "1ec9af703f97b8fad2505b066b1ce3337e9e1a05df2995c6cefd8060f9757194"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/retrocomposite/data/releases/n1-n5-composites-inchi-v1/cohorts/primary/composite.tsv",
+      "sha256": "af1b14fbeca412af9a72d5259150b04adb214729b9aeeaadd2cb8a9903fe5c5c"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/retrocomposite/data/releases/n1-n5-composites-inchi-v1/cohorts/primary/composite_policy_data.tsv",
+      "sha256": "fc8f97c59009672ea6d6c3eb90c7928f6c0306ecbcca1cec5a5eda9115bfc1d7"
+    }
+  ],
+  "kind": "grouped-split",
+  "outputs": {
+    "assets/composite.manifest.json": "9d5316b542c8b0ddf05b8ef2a6c2c981e4066c8ba4eaa8f448baef9686cc21a7",
+    "assets/composite.tsv": "af1b14fbeca412af9a72d5259150b04adb214729b9aeeaadd2cb8a9903fe5c5c",
+    "assets/composite_policy_data.tsv": "fc8f97c59009672ea6d6c3eb90c7928f6c0306ecbcca1cec5a5eda9115bfc1d7",
+    "assignments.jsonl": "2926154da97c191d252d95bab391f3d5111bb2ac855bad58bf9c094ee081a24a",
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+    "validation.tsv": "d1216c827f7642557f28af6b4fb702be1d37c96143a459b8e7d00d0190ef9d61"
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+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/primary/split.json b/releases/n1-n5-composites-inchi-v1/payload/splits/primary/split.json
new file mode 100644
index 0000000000000000000000000000000000000000..4d67a2112a380e295f1e32a57f733ba44e9a8927
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/primary/split.json
@@ -0,0 +1,6414 @@
+{
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+  ],
+  "schema": "retrocomposite-grouped-split/2",
+  "seed": 42,
+  "source_assets": "/Users/almazgil/Developer/projects/retrocomposite/data/releases/n1-n5-composites-inchi-v1/cohorts/primary",
+  "source_manifest_sha256": "776b6d10757d2bc56bda53b41cb4a60fb0a15e5ead2ac37450922ac6593ab22c",
+  "status": "ready",
+  "train_rows": 3809,
+  "validation_rows": 423
+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/primary/train.tsv b/releases/n1-n5-composites-inchi-v1/payload/splits/primary/train.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..dba57deb9f6c67a123725ee9d85cd1c736e0428a
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/primary/train.tsv
@@ -0,0 +1,3810 @@
+product_smiles	rule_id
+CC1(C)OB(OC1(C)C)c2c(C=O)ccc(c2)OC3CCCC3	0
+C(Br)CCCCOCCCCBr	1
+c1cc(ccc1CCCOCc2ccccc2)CBr	2
+C[Si](C)(C)OC(CC#C)(CCC)CCCC	3
+c1(nc(-c2nc(CCC)ccc2)nc(c1)C)OCC#C	4
+C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O	5
+c1cc(ccc1C(C)(C)C#C)F	6
+C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O	7
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+](=O)[O-])C#Cc2ccc(cc2)F	8
+CC(C)(C)OC(COc1c(C#Cc2cc(S(=O)(=O)C)ccc2O)cc(Cl)cc1)=O	8
+c1cc(ccc1C#Cc2cc(CCCC#N)c(F)cc2)OC(F)F	8
+c1(c(nc(c(-c2ccncn2)c1)-c3occc3)N)C#Cc4cccc(c4)F	9
+c1cc(ccc1C#Cc2cccc(N)n2)C(OCC)=O	10
+c1cc(ccc1C#Cc2c([N+]([O-])=O)cccn2)CCC(=O)OC	11
+C[Si](C)(C)C#Cc1ccc(cc1)N(CCCC)CCCC	12
+C[Si](C)(C)C#Cc1cc(cnc1N)Cl	13
+C[Si](C)(C)C#Cc1cc(OC(C)c2c(ccc(F)c2Cl)Cl)c(nc1)N	14
+C1CC1C(c2ccc(cc2)Cl)=C(C=O)F	15
+c1cc(ccc1C)Cc2nc(O)c(nn2)C(NC(=O)C(CCCCC)C(C)=O)C	16
+FC(F)(F)C(F)(F)CCNC(C(C)(F)C(NC1C(N(c2c(-c3c1cccc3)cccc2)CC4CC4)=O)=O)=O	17
+c1ncncc1Cn2nc(-c3nc(c(nn3)C(C)(C)C(=O)OC)O)c4cc(cnc24)F	18
+O=C(OCC)C(C(=O)OCC)C(=O)c1cc(F)c(cc1Br)F	19
+CC(C)(C)OC(N1CC2(C1)CC(C2)OS(=O)(=O)C)=O	20
+C1N(CC1C(Nc2ccccc2N)=O)c3cc(nc(C)n3)-n4nc(nc4C)C	21
+O=S(=O)(c1ccc2c(CCCC2Cl)c1)c3ccccc3	22
+CC(C)(C)OC(N1CC(CC1)NC(=O)COCCBr)=O	23
+c1cc(ccc1C#N)CCCBr	24
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=O)(=NCCBr)C	24
+N1(C(=O)C)c2cc(C)cc(C)c2C(C1)CCBr	25
+O=C1Nc2c(cccc2)C(C1)CCCl	26
+O=C1Nc2c(cccc2)C(C1)CCCl	27
+CC(C)(C)OC(=O)N1CC(c2ccccc2)CC1COC	28
+CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2	29
+CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2	30
+CC(C)(CO)c1ccc(cc1)F	30
+O=C1Nc2c(cccc2)C(CCO)C1	30
+OCCC1COc2c(cccc2)O1	30
+C1CC(CCC1)=CCCCCCO	31
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CO	31
+c1(CCO)ccc([N+]([O-])=O)cc1Cl	31
+C(O)CC1n2c(cc(I)c2)C(NC1)=O	32
+c1cc(ccc1)C(c2ccccc2)CO	33
+c1cnccc1N2CCC(CC2)CO	33
+O=S(=O)(OCCC1n2cc(I)cc2C(=O)NC1)C	34
+CC(C)(C)OC(N1CC(c2ccccc2)CC1COS(=O)(=O)C)=O	35
+C1CC(CCC1COS(=O)(=O)C)C(OCCCC)=O	36
+c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C	37
+c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C	38
+O=S(=O)(C)OCC(c1ccc(Cl)c(c1)Cl)CCOC2OCCCC2	39
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(CCOS(=O)(=O)C)nc4	40
+O=S(=O)(C)OCCCc1ccc(cc1)Br	41
+C(=O)Cc1ccc([N+]([O-])=O)cc1Cl	42
+c1cc(ccc1F)C(C)(C)C=O	43
+C(=O)Cc1ccc([N+]([O-])=O)cc1Cl	44
+CC(C)(C)OC(=O)NCC(C=O)C	45
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C=O	46
+c1cc(ccc1F)C(C)(C)C=O	47
+CC(C)(C)OC(=O)Nc1onc(C(C)(C)C=O)c1	48
+c1ccccc1[Si](c2ccccc2)(N3C(=O)CC3C=O)C(C)(C)C	49
+c1cc(ccc1C2C(C2)CCO)Br	50
+c1cc(ccc1C2C(C2)CCO)Br	51
+Fc1cc(cc(F)c1C)CCC(OCCCC)=O	52
+c1cc(ccc1CCC(OCC)=O)C#N	52
+c1cc(ccc1C#N)CCCO	53
+c1cc(ccc1N2C(=O)C(COS(=O)(=O)C)CC2)Cl	54
+C1CN(CCC1(F)F)CCO	55
+CC(C)(C)OC(NCC(CNc1cc2c(cc1)N(CC3CC3)C(=O)C2)O)=O	56
+c1cc(ccc1Cl)Oc2cc(CCC)c(C(=O)COc3ccc(cc3)OC)cc2	57
+Clc1c(OC)cc(CC#N)c(Cl)c1	58
+Clc1c(OC)cc(CC#N)c(Cl)c1	59
+c1cc(ccc1)-c2c3ccc(cc3no2)CC#N	60
+c1cc(ccc1C(=O)c2cc(CC#N)ccc2)Cl	60
+FC(F)(F)c1cc(Oc2ccc(cc2)CCO)ccc1Cl	61
+CC(C)(C)OC(NC(c1ccnc(-c2c(cnn2C(F)F)NC(C(C=C)C)=O)c1)CC=C)=O	62
+c1(C=CCO)c(cccc1)Br	63
+CC(C)(C)c1nnc(NC(N(C(C)C=O)C)=O)s1	64
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(c1)NC(=O)CC(=O)c2cccc(-c3ccc(OC)nn3)c2)N(C)C	65
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(=O)CC(=O)c3cc(-n4ccnc4SCOC)ccc3)=O	66
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(CC(=O)c3sc(C#N)cc3)=O)=O	66
+FC(F)(F)c1c(cc(c(c1)NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)NC(=O)OC(C)(C)C)N4CCSCC4	66
+C1CN(CCC1N2C(C(CC2)Oc3cc(F)c(S(=O)(=O)C)cc3F)=O)C#N	67
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)OCc4cc5c(OCO5)cc4)=O)=O	68
+N(C(C)=O)C1C(=O)NC(C(NC(CC(C)CCCCCCC1)C(O)CC(C)C(NCCCC)=O)=O)C	69
+C1CC(CCN1OC)(C(OC)=O)NC(=O)Cc2c(C)cc(F)c(c2)Br	70
+C[Si](C)(C)CCOCn1cc(C(NC(C(C)(C)C)C(N2CCC(CC2)C#N)=O)=O)c3c1ncc(Br)n3	71
+CC(C)(C)C(NC(=O)c1c2cccc(c2n(n1)Cc3ccc(cc3)C#N)F)C(=O)NCCO	72
+C(C)C(CC)(C(NC)=O)NC(=O)c1ccc(OC)c(-c2cc(ccc2)Cl)n1	73
+c1c(C)cc(cc1CC(C(NCC#N)=O)NC(c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(N)=O)=O)C	74
+CC(C)(C)C(NC(c1ccc(cc1)-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)=O)C(=O)OC(C)(C)C	75
+CC(C)(C)OC(NC1CCC2CN(CC12)Cc3ccccc3)=O	76
+CC(C)(C)OC(NCC(c1cc2cc[nH]c2cc1)c3ccccc3)=O	77
+c1cc(ccc1C(NC)=O)OCC(O)CN(Cc2ccccc2)C(COc3cc4c(OC(C)(C)NC4=O)cc3)C	78
+C1CC(CCN1CC(O)COc2nccnc2Cl)N3CCN(c4ccccc4)C3=O	79
+c1cc(ccc1OC)CC(C)(C)NCC(O)COCC=C	80
+c1ccccc1Oc2cnc(cc2)CO	81
+C1C(C(c2ccc(cc2Cl)F)O)C1C#N	82
+C1C(C(c2ccc(cc2Cl)F)O)C1C#N	83
+N#CC1CC1C(c2ccc(cc2Cl)F)=O	84
+c1cc(ccc1)C(Cc2cc(ccc2)C)=O	85
+c1cc(ccc1)C(=O)c2c(N)ccc(c2)F	86
+c1cc(ccc1CO)CCCOCc2ccccc2	87
+O=S(=O)(c1ccc(cc1)Br)n2c3ccccc3cc2C=O	88
+[nH]1c(C=O)cc2c1cccc2	88
+C1(N2C(CCC2)c3n(-c4ccccc14)cnc3C=O)=O	89
+C1CN(CCC1)c2nc(cs2)C=O	90
+Clc1cc2c([nH]nc2C=O)cc1	91
+CC(C)(C)OC(N1CCN(CC1)c2cccc(c2)C(Nc3ccccc3N)=O)=O	92
+COc1c(cc(cc1)C(=O)c2ccc(c(c2)OCC)OC)[N+](=O)[O-]	93
+CC(C)(C)C(=O)Oc1cccc(CBr)c1	94
+BrCc1c(Cl)cc(Cl)c(c1)OC	95
+FC(F)(F)c1c(CBr)ccc(I)c1	95
+c1c(Cl)c(c(cc1OCc2ccccc2)Cl)CBr	96
+[N+](c1cc(CBr)cc(Br)c1)([O-])=O	97
+C(c1cc2c(cc1)cc(F)cc2)Br	98
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CBr	99
+CC(C)N1C(c2cc(ccc2C(=N1)Br)CBr)=O	100
+c1(OC)cc(CBr)cc(Br)c1	101
+C1CC1c2cccc(c2CCl)F	102
+COc1cc2c(ccnc2cc1)CCl	103
+FC(F)(F)c1c(F)ccc(Oc2ccc(cc2C#N)CCl)c1	104
+Clc1cc(cc(OC)c1)CCl	105
+FC1(F)Oc2c(ccc(CCl)c2)O1	106
+FC(F)(F)c1cc(ccc1CC2CCCCC2)CCl	107
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3nc(cs3)C=4CC(ON=4)c5c(CCl)cccc5	108
+c12c(cc(CO)c(c1)OC)cc(cc2)Br	109
+c1c(ccc([N+]([O-])=O)c1CO)C(=O)OC	110
+O=S(=O)(OCc1c(cc(C#N)c(F)c1)F)C	111
+c1c(cc(C)c2Cc3c(cccc3C)-c12)C	112
+Clc1ccc(c(C=O)c1)Sc2cccs2	113
+c1c(C=O)cc2cc(c(OC)c(c2c1)OC)OC	113
+c12c(cc(c(c1)OC)C=O)cc(cc2)Br	114
+O=Cc1ccc([N+]([O-])=O)cc1F	115
+c1(C=O)cc2nn[nH]c2cc1	116
+c1cc(ccc1C=O)-c2cnco2	116
+c1ccccc1CCCCC#Cc2ccc(C=O)cc2F	117
+O=Cc1cc(ccc1[N+]([O-])=O)C(=O)OC	118
+c12c(cc(c(c1)OC)C=O)cc(cc2)Br	119
+O=Cc1cc(ccc1[N+]([O-])=O)C(=O)OC	120
+c1c(cc(I)c(c1)C=O)Br	121
+FC(F)(F)c1ccc(cc1)-c2n(C)c(c(n2)C=O)C	122
+c1cc(ccc1C)CC2=Nn3c(C(N2)=O)c(C)nc3C(C(C)O)CCCCC	123
+c1cc(ccc1C)CC2=NC(c3c(C)nc(C(CCCCC)C(=O)C)n3N2)=O	124
+c1cc(ccc1C)CC2=NC(c3c(C)nc(C(CCCCC)C(=O)C)n3N2)=O	125
+c1cc(ccc1F)-c2c(CCl)c(nc(C(C)C)c2C(OCC)=O)C(C)C	126
+c1cc(ccc1Cl)-c2cncc(CCl)c2	127
+c1cc(ccc1)COc2ccc3c(ccc(c3)Cn4cc(c(-c5ccccc5)c4)C=O)c2	128
+c1(CCl)cccnc1N2CC(CC2)F	129
+c12c(c(Cl)ccc1)nc(-c3c(cccc3)F)c(CCl)c2	130
+c1ccccc1C(O)c2cc(C(=O)C=CN(C)C)ccc2F	131
+C(OCCCl)CC(Cl)=O	132
+FC(F)(c1ccccc1)CNc2c(F)c(c(cc2)Cl)CC(=O)O	133
+c1(N2C(CC(C(OC)=O)C2)=O)ccc(c(C)c1)O	134
+c1c(c(cc(c1)NC(CC(OC)=O)=O)F)OCc2cccc(F)c2	135
+c1ccccc1COC(=O)NC2C(CC(=O)CC2)NC(OCc3ccccc3)=O	136
+CC(C)(C)OC(=O)COCc1cc(ccn1)C(F)(F)F	137
+c1cc(ccc1)OC(=O)Nc2cc3CCCc3nc2	138
+C1CCCC1n2c(cc3c2nc(Cl)nc3)C(O)=O	139
+O=S(=O)(c1ccccc1)Nc2c(scc2)C(=O)Cl	140
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(Cl)=O)s3	140
+c1cc(c(c(C(Cl)=O)c1OC)F)OC	141
+c1ccccc1CCN2C3CC(CC2CC3)=C(c4ccccc4)c5ccc(cc5)C(Cl)=O	142
+O=S(=O)(C)c1c(-c2nocc2)c(C)c(cc1)C(Cl)=O	143
+c1ccccc1COc2cc(OCc3ccccc3)c(C(Cl)=O)cc2Br	143
+FC(F)Oc1c(F)c(C(=O)Cl)cc(c1F)F	144
+c1cc(ccc1C2CCCCC2)C(N3c4c(cccc4)Cn5c(C(=O)O)ccc5C3)=O	145
+[nH]1cc(c2ccc([N+]([O-])=O)cc12)C(=O)O	146
+c1cc(ccc1)COc2c(C(C)C)cc(-c3onc(c3)C(=O)OCC)c(OCc4ccccc4)c2	147
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)N(OC)C	148
+FC(F)(F)C(C)NC(C(c1cn(c(c1)C(Nc2cc(c(F)cc2)C)=O)C)=O)=O	149
+C1CN(CCN1CC(=O)c2cc(OC)c(cc2)OC)C=3C(=O)C=CC=CC=3	150
+c1cc(ccc1C(c2ccc(cc2)F)=C(C=CC=O)c3n(nnn3)C)F	151
+FC(F)=C(C)CCOC(c1cnc(OCCCC)cc1)=O	152
+c1ccccc1COC(c2cc(ccc2N)C#N)=O	153
+c1cc(ccc1C=CC(OCCCCCCCl)=O)OC(c2ccc(cc2)OCCOC)=O	154
+c1cc(ccc1F)Sc2c(C=O)c(ccc2)F	155
+Clc1ccc(c(Cl)c1)OC(c2sc(nn2)N=C=O)C	156
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)N=C=S)Cl	157
+C1CN(CCC12OC2)c3ncnc(Cl)c3	158
+C1COC(O1)(C2OCC(N(Cc3ccccc3)C2)=O)C	159
+CC(C)(C)OC(NCC1OC(N(C1)c2cc3CC(N(CC4CC4)c3cc2)=O)=O)=O	160
+c1cc(ccc1)C2COCC(N2)=O	161
+C1CN(CCC12C(=C(c3c(C)cc(F)c(c3)Br)C(=O)N2)O)OC	162
+c1cc(ccc1-c2c3c(nccn3c(C4N(C(=O)C#CC)CCC4)n2)N)C(=O)Nc5sc6CCCCc6n5	163
+c1(cnc(C(CCCCC#Cc2c(cccc2)Cl)=O)o1)-c3ncccc3	164
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCO	165
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC#N	166
+CC(C)(C)OC(=O)N1CC(CC(C#N)C1)N(CC(C)C)C(c2nc3ccccc3n2CCCCOC)=O	167
+CC(C)(C)C(=O)N(C1CC(C#N)N(C(OC(C)(C)C)=O)C1)C2CCC(CC2)C	168
+CC(C)(C)OC(=O)C1C2(CCC(CC2)(CN)C1)C#N	168
+CC(C)(C)OC(=O)N1CC(CC(C#N)C1)N(CC(C)C)C(c2nc3ccccc3n2CCCCOC)=O	168
+CC(C)(C)OC(=O)N1CCCC1C#N	168
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC#N	168
+[N+]([O-])(=O)c1ccccc1Oc2cc(ccc2)OC(C)C#N	168
+c1cc(ccc1C2N(C(CC)CC)C(=O)C(CC#N)(CC2c3cccc(Cl)c3)C)Cl	169
+c1cc(ccc1CC(NC(=O)CCCCCCc2ccccc2)CCC#N)OCc3ccccc3	169
+c1ccccc1-c2c3c(n(CC#N)n2)C(=O)N(c4ccc(cc4)Cl)C(=N3)c5ccc(cc5)C(C)C	169
+c1cc(ccc1CC(NC(=O)CCCCCCc2ccccc2)CCC#N)OCc3ccccc3	170
+[N+]([O-])(=O)c1ccccc1Oc2cc(ccc2)OC(C)C#N	171
+CCC=CCCC(CCC=CCC)C#N	172
+CC(C)(C)OC(C1(CCOCC1)CN2CCC(CC2)C#N)=O	173
+CN(C)C(N1CC2C(CC(C2)C#N)C1)=O	174
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)C#N	175
+c1cc(ccc1C(C(C)(C)N2CCOCC2)=O)N3CCCCC3	176
+c1cc(ccc1C(C(C)(C)N2CCOCC2)=O)N3CCCCC3	177
+CC(C)(C)OC(=O)N1C(CC2(CC2)C1)CO	178
+CC(C)(C)OC(N1CC(C(c2ccc(c(c2)Cl)Cl)C1)C(OC)=O)=O	178
+CC(C)(C)OC(N1CCC2C(c3c(scc3)C2)C1)=O	178
+CC(C)(C)OC(N1CC(F)(F)C(O)CC1)=O	179
+CC(C)(C)OC(=O)N1CCc2sccc2CC1	180
+CC(C)(C)OC(=O)N1CCC2(N(Cc3ccccc3)CCC2)C1	181
+CC(C)(C)OC(=O)N(CCc1ccc([N+](=O)[O-])cc1Cl)Cc2ccc(cc2)F	182
+CC(C)(C)OC(N1CC(c2ccc(cc2)N)SCC1)=O	183
+CC(C)(C)OC(=O)N1C(C)(C)CN(C2(CCCC2)C1)Cc3ccccc3	184
+CC(C)(C)OC(=O)N1CC(C)(C)c2cnc(Cl)cc12	185
+CC(C)(C)OC(=O)N(C1CC1)Cc2cc(Br)ccc2Cl	186
+CC(C)(C)OC(=O)N(C1CC1)Cc2cc(Br)ccc2Cl	187
+CC(C)(C)OC(=O)N(c1ccc(cc1)S(=O)(=O)C)C2CCNC2	188
+CC(C)(C)OC(=O)NCCC1CN(CC1)Cc2ccccc2	189
+CC(C)(C)OC(NCCc1ccc(Br)cn1)=O	189
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CNC(OC(C)(C)C)=O	189
+CC(C)(C)OC(NCCC1(CCN(CC1)Cc2ccccc2)O)=O	190
+CC(C)(C)OC(NC(CC(=O)OCC)Cc1c(F)ccc(F)c1)=O	191
+CC(C)(C)OC(=O)NCc1cc(F)c(cc1F)C#N	192
+CC(C)(C)OC(=O)Nc1ccc(nc1)CC(OCC)=O	193
+CC(C)(C)OC(Nc1c(OCc2ccccc2)cccc1F)=O	194
+CN(C)C(CN)(C)CCCC	195
+CN(C)C(C)(CCCC)CNC(=O)c1ccc(c(Cl)c1)Cl	196
+O=S(=O)(C(C(C)(C)O)c1cc(ccc1)OCc2ccccc2)NCc3c(cc(OC)cc3)OC	197
+c1ccccc1CCC(C)CC(=O)OCC	198
+CC(C)(C)OC(=O)N(Cc1c([N+](=O)[O-])cccc1)C(C)C	199
+c1ccccc1OCCC(N(C)C)C	200
+c1cc(ccc1C(C)=O)CC(NCC(O)c2ccccc2)C	201
+CC(C)Nc1c(Nc2ccccc2)nccc1	202
+C(C)C(CC)Nc1c(nccc1)N2CCN(CC2)C(OCc3ccccc3)=O	203
+C=1(C(=O)NC(=O)C=1c2cc(NC(CCO)C)ccc2)c3c4ccccc4n(C)c3	204
+[N-]=[N+]=NC(C)CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C	205
+C(CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C)(C)N	206
+C(CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C)(C)N	207
+CC(C)(C)[Si](C)(C)OC(Cc1ccc(cc1)F)CCC2NC(CC2)=O	208
+FC(F)(F)c1cc(Cl)c(nc1)-c2ccc(Cl)c(OC(C)C)c2	209
+CC(C)(C)[Si](C)(C)OCC1Cc2ccc3c(c2O1)CCC3	210
+CC(C)(C)OC(NC(CCC(SC(C)=O)CNC(=O)OCc1ccc(cc1)[N+](=O)[O-])C(OC)=O)=O	211
+c1cc(ccc1C(C)=O)CC(C)=O	212
+C[Si](C)(C)OC(CC#C)(C(F)F)CCCC	213
+CC(C)(C)OC(N1CC(F)(F)C(CCO)CC1)=O	214
+C1CC(CCN1OC)CCO	215
+CC1(C)CCOc2cc(C(CCCCC)CO)ccc12	216
+FC(F)(F)c1ccc(Cl)cc1CC2C(=O)c3cc(c(N4CCOCC4)cc3C2)OC	217
+C1CN(CCC1C=O)OC	218
+C1CN(CCC1N(C2CC2)C(c3cnc(-c4ocnc4)cc3)=O)c5nc(no5)C(C)C	219
+C1CC(CCN1C(OCC)=O)N2CCC3(CC2)CC=C(C(N(C)C)=O)c4c3cccc4	220
+FC(F)(F)c1cc(ccc1)N2CCN(CCC2)C3CCC(CC3)c4c5ccc(cc5[nH]c4)F	220
+FC(F)(F)c1cc(ccc1)N2CCN(CCC2)C3CCC(CC3)c4c5ccc(cc5[nH]c4)F	221
+CC(C)(C)OC(=O)N1CCC(CC1)N2CCC(CC2)N3C4CCCCC4OCC3=O	222
+C1CCN(C1)C2CCN(c3ccc(Br)cn3)C2	223
+C1CC(CCC1N2CCc3c(ccnc3)C2)N(Cc4ccccc4)C	224
+C1CN(CCC1N2CCCCC2)c3ccc(cc3)CN4CCOCC4	224
+C1CN(CCO1)C(=O)Cc2cc(ccc2[N+](=O)[O-])C	225
+C1CCCN1C(=O)Cc2nc(oc2)-c3ccc(cc3)OCCCCl	226
+C1CCCCCN1C(=O)CC2CCCc3n(ncc23)-c4ccccc4	227
+C1CCCN1C(=O)Cc2ccc([N+](=O)[O-])c(c2)OC	227
+CC(C)(C(N1CCCC1)=O)Sc2cc3sc(N)nc3cc2	227
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(=O)N2CCOCC2)n1	227
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N	228
+CC(C)(C)OC(=O)N1CC(N)CC1C(OC(C)(C)C)=O	228
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N	229
+CC(C)(C)OC(=O)N1CC(N)CC1C(OC(C)(C)C)=O	229
+C1(CCCN(C(=O)OCC)CC1)N	230
+C1CC(CC(C1)N)c2ccc(OCOC)cc2OCOC	231
+FC(F)(F)c1c(nc(cc1)Oc2cc(ccc2)C=C3CCC(CC3)N)C	232
+Clc1ccc(N2CCC(C2)C(C)N)c([N+]([O-])=O)c1	233
+c1cc(ccc1)CN2CC(C(CC2)C(C)N)c3ccc(cc3)Cl	234
+C1CN(CCC1N)Cc2ccc(cc2)C	235
+C1CC(c2cccc(C)c12)N	236
+NC(CCC=C)c1ccccc1OC	236
+c1(c(C(CCC2CCN(CCSc3c(ccc(F)c3)F)CC2CC(=O)OC)N)c4cc(ccc4nc1)OC)F	237
+c1cc(ccc1NS(=O)(=O)C)C(N)C	238
+c1ccccc1-c2nn(CC(=O)N)c3C(=O)N(c4ccc(cc4)Cl)C(=Nc23)c5ccc(cc5)C(C)C	239
+C1C(CC(N)=O)CC(C)CC1	240
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC(=O)N	240
+FC(F)(F)C1(c2ccccc2-c3c(cc(cc13)OCC(C)O)-c4cn(C(C)(C)C(N)=O)nc4)O	240
+C12CC(CC(CCC1)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O)C(N)=O	241
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cn2)Nc3nc(c(cn3)C)CCc4ccccc4CC(=O)N	241
+CC(C)(C)OC(=O)Nc1cc(CCC(=O)N)ccn1	241
+CC(C)(C)OC(N1CC(C(=O)N)CC(N(C(c2n(c3c(cccc3)n2)CCCCOC)=O)CC(C)C)C1)=O	241
+CC(C)(CCC)C(N)=O	242
+c1cc(ccc1CC(CCC(N)=O)NC(=O)CCCCCCc2ccccc2)OCc3ccccc3	243
+[N+]([O-])(=O)c1ccccc1Oc2cc(OC(C(N)=O)C)ccc2	244
+c1cc(ccc1Cn2c3ccc(OC)cc3c(CC(C)CC(N)=O)c2C)Br	244
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(cc([nH]3)C=4SC(CN=4)CC(=O)N)c2	244
+c1cc(ccc1)COc2cc(ccc2Cc3ccc(cc3)CC)CC(=O)N	245
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=S)N	246
+CC(C)(C)OC(=O)Nc1nccc(CCC(=S)N)c1	247
+c1cc(ccc1Cn2c(c(CC(C)CC(=S)N)c3c2ccc(OC)c3)C)Br	248
+CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O	249
+CC(C)(C)OC(N1CCC(CC1)(C)N2CCC(CC2)NC3C(CC#N)CCCC3)=O	250
+CC(C)(C)OC(N1CCC(CC1)(C)N2CCC(CC2)NC3C(CC#N)CCCC3)=O	251
+C1CC(CCC1C(NCc2c(O)nc(nn2)N)=O)C(=O)OC	252
+c1ccccc1CCCC(C(C)O)C(NC(c2c(nc(nn2)Cc3c4ccccc4ccc3)O)C)=O	253
+C1CN2CCC1C(NC(Cc3cc4ccccc4n3C)=O)C2	254
+C1CC(CCC1C(NCC)=O)CC(=O)OCC	255
+c1cc(ccc1C#N)C(NNC(=O)C(Nc2cc(c(C#N)cc2)Cl)C(C)O)=O	256
+c1cc(ccc1C#N)C(=O)NNC(=O)C(C(O)C)Nc2ccc(c3ccccc23)C#N	257
+FC(F)(F)c1c(NC(NNC(=O)CC2CN(C(=O)C3CC3)CC2)=O)ccc(Br)c1	258
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3	259
+CC(C)(C)OC(NCC1(CC12CCCCC2)C(NO)=N)=O	259
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3	260
+CC1(C)c2c(C(C1)NS(=O)(=O)C)cccc2	261
+C1CC(CCN1c2snc(n2)C)Nc3nn4cccc(-c5cccc(N(C)C)c5)c4n3	262
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(cc(C#N)cc2)Oc3c(Br)cccc3	263
+C1CCC(C1)Oc2cc(CC(=O)Nc3c(O)c([N+](=O)[O-])ccc3)ccc2OC	264
+CC(Nc1c(Cl)nn(-c2cccnc2)c1)=O	265
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1Cc2c(C)[nH]c3c2cccc3	266
+CC(C)(C)OC(N1CC(CC1C(=O)Nc2ccc(cc2)N3C(=O)COCC3)N=[N+]=[N-])=O	266
+C1COCCC1C(N=[N+]=[N-])C	267
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1C(=O)OC	267
+CC(C)(C)OC(C1N(C(=O)OC(C)(C)C)CC(C1)N=[N+]=[N-])=O	267
+c1cc(ccc1Cl)C2(O)CN(Cc3cc(ccc3)OC)CC2	268
+FC(F)(F)C(CC1(C)c2cc(SC)ccc2OCC1)O	269
+C1CC(CCC1CCCCC)c2cc(c(cc2)C3CCC(CC3)C4CCC(CC4)O)F	270
+CC(C)(C)OC(=O)NCCCCCC(C)O	271
+FC(F)(F)CC(C(NS(=O)(=O)c1sc(cc1)Cl)C(O)C)C	271
+CC(C)(C)OC(=O)N1CCC(C(O)C)C1	272
+CC(C)(C)OC(=O)N1CCC(C(O)C)C1	273
+CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O	274
+CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O	275
+CC1(C)C(n2cncc2C(O)C)c3c(C(=O)O1)cccc3	276
+C1(c2cc(OC)c(cc2)OC)CC(CCC1[N+](=O)[O-])OC(=O)C	277
+c1ccccc1COc2nc(C)cc(C)c2CN3CCc4c(cc(C(OC)CC)c(Cl)c4C3=O)Cl	278
+C1CN(CCC1OC2=CC(=O)N(C=C2)c3c(cc(S(=O)(=O)C)cc3)C)c4ncc(cn4)CCC	279
+C1CN(CCC1OC2=CC(=O)N(C=C2)c3c(cc(S(=O)(=O)C)cc3)C)c4ncc(cn4)CCC	280
+CC(C)(C)OC(=O)NC1CCC(OS(=O)(=O)C)C1	281
+O=S(=O)(OC(C1C(C)(C)C1C(OCC)=O)C(Cl)Cl)c2ccc(cc2)C	282
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3ccc(cc3)CC(=O)OC)ccc2	283
+CC(C)N1CC(Oc2ccc(Cl)cc2Br)CC1	284
+c1nc(ncc1CCC)N2CCC(CC2)Oc3ccnc(O)c3	285
+FC(F)(F)c1cc(C2CCN(CC2)C(=O)OC(C)(C)C)c(cc1)Sc3ccc(cc3)Cl	286
+O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3	286
+C1CC(CCN1C)C(Cl)c2ccc(cc2)Cl	287
+C1CC(CCN1C)C(c2ccc(cc2)Cl)N3CCNCC3	288
+C1CC(CCN1C)C(O)c2ccc(cc2)Cl	289
+c1ccccc1C(C2CC(N(C2)C(c3ccccc3)C)=O)O	290
+c1cc(c2c(c1)C(=O)C(C)C2)-c3ccccn3	291
+C1CC(CCC1CCCCC)c2cccc(F)c2F	292
+C1CC(CCC1c2c(F)cc(cc2)Br)CCC	292
+O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3	292
+C1CC(CCN1C)C(Cl)c2ccc(cc2)Cl	293
+C1CC(CCN1C)C(c2ccc(cc2)Cl)N3CCNCC3	294
+C1CC(CCN1C)C(c2ccc(cc2)Cl)N3CCNCC3	295
+c1(C(CCCC)N)cc(c(OC)cc1)OC	296
+c1cc(ccc1)-c2c(c3c([nH]2)cccc3)C4CCNCC4	297
+Brc1ncc(c(C(=O)C)c1)F	298
+FC(F)(F)c1cc(N2C(C)=C(C(c3ccc(cc3[N+]([O-])=O)C#N)NC2=O)C#N)ccc1	299
+Clc1cc(c(C2CC(=O)NC(=C2C(Nc3cc(Cl)c4n[nH]cc4c3)=O)C)cc1)F	300
+C1CN(CCO1)CC=C(C[N+](=O)[O-])C	301
+CC(C)CC(=CCCC(CC)=CCOc1cc2c(OCO2)cc1)C	302
+C1CN(CCO1)S(=O)(=O)c2cc(ccc2)C(NN=C(C)c3c(ccc(Cl)c3)Cl)=O	303
+c1ccccc1C(C)=NNC(c2c(c(ccc2)[N+]([O-])=O)O)=O	304
+CC(C)(C)c1ccc(cc1)-c2n(C)nc(C(=NNC(c3ccc(C(=O)OC)c(c3)O)=O)C)c2O	305
+c1ccccc1C(F)(F)C(NO)=N	306
+FC(F)(F)Oc1ccc(cc1)C(=NO)COC	307
+C(C(=NO)c1c(F)cnc2ccc(OC)cc12)CC3CCN(CCSc4c(ccc(F)c4)F)CC3CC(=O)OC	308
+FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C	309
+FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C	310
+CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br	311
+CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br	312
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOC(C(C(=O)C)=Cc4cc([N+](=O)[O-])ccc4)=O	313
+c1cc(ccc1C(c2ccc(cc2)F)=C(C=CC(O)CC(=O)CC(OCC)=O)c3n(nnn3)C)F	314
+c1cc(ccc1C(c2ccc(cc2)F)=C(C=CC(O)CC(=O)CC(OCC)=O)c3n(nnn3)C)F	315
+C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4	316
+C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4	317
+CC(C)(CF)C(COc1ccc(Cl)cc1Cl)=O	318
+c1cc(ccc1OCC(C(CF)(CF)C)=O)Cl	318
+C(CN1C(=O)CCCC1C=CC(=O)CCCCC)#CCCCC(OC)=O	319
+C1COCCC1CC(c2cc(n(C)n2)SC)C(C=C)=O	320
+C1CC(C(C(=O)C=[N+]=[N-])CC1)C(=O)OC	321
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O	322
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O	323
+CC(C)(C)c1c(O)c(c(c(C)c1)CC(=O)Cl)C	324
+c1cc(ccc1COC(CC(=O)Cl)CCCCCCCCCCC)OC	325
+c1cc(ccc1C=2C(N(C3(CCCCC3)N=2)CC(=O)Cl)=O)C	326
+c1cc(OC)cc(OC)c1C(CCCCC)CC(Cl)=O	327
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(n2)CCC(Cl)=O)Cl)OC	328
+c1cc(Cl)c(c(Cl)c1OC(C)C(Cl)=O)C	329
+c1cc(ccc1CCC)OC(C)C(Cl)=O	329
+FC(F)(F)c1cc(C(C(c2cc(F)ncc2)N(C(=O)C)C3CCCC3)O)ccc1	330
+c1cc(ccc1C2(OCC(C)(C)CO2)CSCC(=O)N3C(c4ccccc4)COC3=O)C	331
+c1cc(ccc1-c2ccccc2)C(N(C(=O)CN3C(=O)Oc4c3cc(c(C)c4)OC)C)CN5CCOCC5	332
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(O)cc4c(C(=O)C)c3	333
+CC(C)(C)OC(C1N(C(=O)C2N(C(C(NC(CSCCCCCCC)C(=O)OCC)C)=O)CCC2)CCC1)=O	334
+CC(C)(C)OC(Nc1onc(C(C)(C)CN(C)C(C)=O)c1)=O	335
+CC(C)(C)OC(Nc1onc(C(C)(C)CN(C)C(C)=O)c1)=O	336
+OC1C(O)CN(C1)C(=O)CNC(=O)c2[nH]c3ccc(Cl)cc3c2	337
+C1CC(CCN1C(C)=O)CC(NC(=O)C2CCCCC2NC(c3n(C)c4ccccc4c3)=O)C#N	338
+O=S(=O)(c1nc2CCN(C(C)=O)Cc2c(n1)-c3c(Cl)cc(Cl)cc3)C	338
+c1cc(ccc1OCCC2CCCCN2C(C)=O)-c3[nH]c4cc(ccc4n3)C(N)=O	338
+C1CC(CCO1)Oc2c3[nH]c(C4=NCC(CC(N5CCS(=O)(=O)CC5)=O)S4)cc3cc(c2)Oc6ccc(S(=O)(=O)C)nc6	339
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(N2CCN(CC2)C(OC(C)(C)C)=O)=O	339
+CC(C)(C)OC(=O)NCc1ncc(CC(N2CCc3ccccc3C2)=O)c4c1cc(OC)c(OC)c4	339
+CC(C)(C)C(C(=O)N1C2C(c3c4ccc(cc4[nH]c3)F)CN(C2CC1)C5CCCC5)NC(OC(C)(C)C)=O	340
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C	340
+c1ccccc1C2(O)CC(CC#N)CC3CN(C(=O)Cc4c(OC)cccc4)CC23	340
+c1ccccc1OCC(O)C2N(CCC2)C(C3N(CCC3)C(CCCCCCC)=O)=O	340
+C1CC(CCN1C(CCc2ccc(c(Cl)c2)OC)=O)COc3ccc(-c4ccc(cc4)S(=O)(=O)C)cn3	341
+CC(C)(C)OC(=O)NCC1CCCCN1C(CCCCCCCCCCCC)=O	342
+C1CC2(CCN1C(=O)c3ccc(cc3)-c4cn5c(-c6ccc(cc6)C#N)cnc5cc4)N(CCCC2)C(=O)C	343
+C1N(CC1Nc2cncc(N3C(c4c(cc(cc4)Cl)C3(C)C)=O)c2)C(C)=O	343
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(C4CCN(CC4)C(C(CO)C)=O)n3)n2)o1	344
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(n3)C#Cc4c5c(ccc4)cccc5)n1)C	344
+c1cc(ccc1-c2nn(C3CCCN(C(CC#N)=O)C3)c4c2c(ncn4)N)Oc5c(cccc5)F	344
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CN(CCC4)C(CC#N)=O)Oc5c(ccc(F)c5)F	344
+CC(C)(C)OC(=O)NC1CN(CCC1N2C(c3c(cccc3)C2=O)=O)C(=O)C	345
+CC(C)(C)NC(=O)C1(CCN(CC1)C(C2C(CC(=C)C2)c3ccc(F)cc3F)=O)C4CCCCC4	346
+CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C)C2CCC(CC2)N(C)C(=O)C)=O	347
+C(CC(NCCCN1CCCC1=O)=O)C(N2CCCC2CO)=O	348
+Clc1cc(cc(Cl)c1C(C(N2CCCC2)=O)c3ccc(cc3)Cl)N4N=CC(NC4=O)=O	349
+c1cc(ccc1OC(C(N(C(C)C)Cc2nc(-c3cccnc3)no2)=O)C)CCC	349
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C	350
+C1CN(CCN1C(C(NC(N(CCC2CCCCC2)CCSC(=O)C)=O)C)=O)C	351
+C1CN(CCN1C(C2CCN(CC2)c3c(cncc3F)NC(c4c5n(cc(F)cn5)nc4N)=O)=O)C6COC6	351
+c1(F)cc(cc(F)c1CC(=O)N2CCC2)OCCC3C(C4CCN(CC4)c5ncc(cn5)OCC)C3	351
+C1CC2CCC1N2C(C(C)(C)c3ccc4[nH]c(-c5cc(C)cc(C)c5)c(C(C)CNC(=O)OC(C)(C)C)c4c3)=O	352
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C4=NCC(S4)CC(=O)N5CCS(CC5)=O)[nH]3)c2)CC)cn1	352
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(=O)N6CC(C6)C(=O)OC)CCC3)n2	352
+c1ccccc1OCC(O)C2N(CCC2)C(C3N(CCC3)C(CCCCCCC)=O)=O	353
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)N(OC)C	354
+CC(C)(C)OC(=O)N1CCC(CC1)CN(c2cccc(Cl)c2)C(CC)=O	355
+CC(C)(C)OC(N1CCc2c(c3N(CCCc3cc2CC1)C(=O)C(C)C)Cl)=O	356
+c1cc(ccc1CC(C)NC(=O)C)Br	357
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O	358
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O	359
+CC(C)(C)C(NC(Nc1ncc(Oc2ccnc(NC(=O)N3CCN(CC3)Cc4ccccc4)c2)cc1)=O)=O	360
+C1C(CC(NCC(N)=O)=O)CC(C)CC1	361
+CC(C)(C)OC(NC(C1CCCCC1)C(=O)NC(C(=O)N)Cc2cnccc2)=O	362
+CN(C)C(=O)C(Cc1ccc(cc1)-c2ccccc2)NC(=O)C3(CCCC3)CC(=C)Cl	363
+O=S(=O)(C)CCC(Cc1cccc(C#N)c1)(C(=O)NCC(NCc2sc(C#N)cc2)=O)NC(=O)OC	363
+c1cccc2-c3ccccc3C(c12)COC(=O)NCC(=O)NC(Cc4ccccc4)C(NCC(=O)O)=O	364
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C(=O)NC(CCCNC(=O)N)C(=O)O	365
+CC(C)CC(C(=O)NC(C(OC)=O)CCC(NCCCN=[N+]=[N-])=O)NC(C(NC(=O)OCc1ccccc1)CC#C)=O	366
+FC(F)(F)c1ccc(cc1)-c2cc(cc(CNC(CN(S(=O)(=O)c3ccc(cc3)F)C)=O)c2)F	367
+c1cc(ccc1CN2CCN(CC2)c3ncccn3)CNC(CC)=O	368
+CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O	369
+C1CC(CCN1C2CC3(C2)CN(C(=O)OCC)CC3)C(=O)NC4(CCC4)C	370
+CC(C)CC(c1csc(n1)-c2ccccc2)C(=O)NCC#N	370
+c1cc(ccc1CNC(C2(CC2)NC(=O)c3cncnc3)=O)Oc4c(cc(cc4)Br)Cl	370
+C1CN(CCC1OC(=O)NC2(CCCCC2)C(=O)NC(C(C(NC3CCCCNC3=O)=O)O)C(C)C)C(OC)=O	371
+c1cccc2[nH]cc(CNC(C3N(C(=O)C(C)N4Cc5ccccc5C4=O)CC(O)C3)=O)c12	372
+C1CN(CCC1OC(=O)NC2(CCCCC2)C(=O)NC(C(C(NC3CCCCNC3=O)=O)O)C(C)C)C(OC)=O	373
+C1N(c2nc3c(ncnc3cc2)N)CCCC1NC(=O)CCOC	373
+CC(C)CC(NC(=O)c1cc2ccccc2s1)C(NCCCC(NS(=O)(=O)c3c(cc(cc3)F)Cl)CO)=O	373
+c1cc(ccc1C(NC2(CC2)C(NC3c4n(-c5c(cccc5)CC3)ccn4)=O)=O)F	374
+CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O	375
+c1cc(ccc1)COC(=O)CC2(CCCC2)C(NC(c3nnn[nH]3)Cc4ccc(cc4)-c5cc(Cl)ccc5)=O	376
+c1cc(ccc1C#N)CCNC(Cn2cnc3N(C(N(C)C(c23)=O)=O)C)=O	376
+c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2	376
+C1CN(CCC1Nc2ccc(N3CC(CNC(=O)C)OC3=O)cc2F)C(=O)OCc4ccccc4	377
+C1CC(CCC1)NC(C2(CC2)c3c(F)cc(cc3)Br)=O	378
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)-c3ccccc3)C(NCC4CCCCC4)=O	379
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)C(C)C(NC3CC3)=O	379
+C(C)C(CC)CNC(=O)CN1C=CC=C(NC(=O)OCc2ccccc2)C1=O	380
+CC(C)(C)OC(NCCNC(C(OCCCCC=CCC=CCC=CCC=CCC=CCC)CC)=O)=O	380
+CC(C)(C)NC(=O)C(CC)Oc1ccc2ncc(Br)cc2c1	381
+O=S(=O)(NCCC(=O)NC(c1cncn1C)(C)c2ccc(c(F)c2)C#N)c3cc(OC)ccc3	381
+c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2	381
+c1ccccc1-n2nc(cc2OCC(=O)N3C(CCC3)C(NCCF)=O)C(OCC)=O	382
+C1COCCN1C=2c3ccccc3C(N(N=2)NC(=O)Cc4c(OC)cccc4)=O	383
+C1CCCCC1CNC(=O)NNC(CCN2CCN(CC2)c3ccccc3OC)=O	384
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)NC(=O)C4C(C(=O)NO)CC5(CC5)CN4C	385
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C	386
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C	387
+C1CC(CCC1)CCCC(CC(NO)=O)c2nc(no2)C(=O)N3CC(C3)N(C)C	388
+C1CC1C#Cc2cc(no2)CCC(S(=O)(=O)C)(C)C(NOC3CCCCO3)=O	389
+O=S(=O)(C(CCc1ccc(cc1)Br)(C(NOC2CCCCO2)=O)C)C	389
+CC(C)(C)OC(=O)NC1(CC1CC)C(NS(=O)(=O)OC2(CC2)C)=O	390
+c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl	391
+c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F	392
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3	393
+C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C	393
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3	394
+C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C	394
+n1c(N)c(c(nc1-n2nc(Sc3ccccc3F)c4c2cccc4)N)NC(C)=O	395
+C1CCCC1CC(C(=O)Nc2nn(cc2)CC(C)(C)O)N3C(C=C(C=N3)Oc4c(C)ccc(C)c4C)=O	396
+C1CCCC1CC(C(Nc2ncc(Br)cc2)=O)c3ccc(c(F)c3)-n4c(nnn4)C	396
+C1CCCC1CC(C(=O)Nc2nn(cc2)CC(C)(C)O)N3C(C=C(C=N3)Oc4c(C)ccc(C)c4C)=O	397
+O=S(=O)(C)c1c(C)cc(cc1)C(C(Nc2nn(cc2)CC(C)(C)O)=O)CC3CC(CC3)=O	398
+FC(F)(F)C1N(c2ncc(cn2)-c3cccc(NC(C(C)n4cnc5N(C)C(=O)N(C(=O)c45)C)=O)n3)CCC1	399
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(c3)-c4cccc(C(=O)NC(C)(C)C(Nc5noc(C)c5)=O)c4)o2	399
+c1cc(ccc1)C(c2cc3[nH]nc(-c4ccccc4)c3cc2)C(C)(C)C(=O)Nc5sccn5	400
+CC(C)(C)OC(NC(C(Nc1ncccc1C(C2CCCCC2)=O)=O)c3sccc3)=O	401
+CCN(CC)C(c1cnc(c(c1)NC(=O)Cc2ccc(cc2)OCC)NCC=C)=O	402
+CC(C)(C)OC(=O)NC(C)(C(=O)Nc1ccc(nc1)Oc2cccc3OCC(C)Cc23)CC	403
+FC(F)(F)c1cc(ccc1)S(=O)(=O)CCSc2c(NC(Cc3c(cccc3)OC)=O)cccn2	403
+CC(C)(C)c1cc(n(n1)-c2ccc(cc2)NC(CCOC)=O)NC(=O)Nc3ccc(cc3)Oc4ccncc4	404
+CC(C)(CC)c1ccc(OC(C(=O)Nc2cc(O)c(cc2)NC(=O)C(F)(F)C(Cl)F)CC)c(c1)C(C)(C)CC	404
+CC(C)(CC)c1ccc(OCC(=O)Nc2ccc(cc2)Nc3cc(ccc3)O)c(C(C)(C)CC)c1	404
+c1(c[nH]c2c1cc(cc2)NC(CCCCC)=O)Cc3c(cc(cc3)C(=O)OC)OC	404
+c12c(-c3c(c4c(cccc4)c(n3)O)C1)ccc(NC(=O)CCl)c2	404
+c1cc(ccc1N2CCc3cc(ccc3C2Cc4ccc(cc4)OCc5ccccc5)OC)NC(=O)C	404
+c1cc(ccc1NC(=O)CCCl)Nc2nc(c(cn2)Br)Nc3ccccc3	404
+n1cc(-c2cc(NC(CC)=O)ccc2)nc3ccccc13	404
+O=S(=O)(Nc1scnn1)c2ccc(cc2)NC(=O)CCCCCCCCC	405
+c1cc(ccc1Cl)CN2C(C(=NN(c3cccc(NC(=O)COC)c3)C2=O)OC)=O	405
+CC(C)(C)C(=O)OCn1nc(N2C(C(C(O)C(Nc3ccc(cc3C(N)=O)I)=O)OCC2)=O)cc1	406
+c1ccccc1CCC(C(NC(CC(C)C)C(Nc2ccccc2)=O)=O)CSC(C)=O	406
+c12c3c(C(N(C(=O)c3cc(C(O)=O)c1)CCCC(O)=O)=O)cc(NC(=O)C)c2	407
+c1cc(ccc1Br)CN(c2ccc(cc2)NC(=O)C)n3cnnc3	407
+c1cc(ccc1C=2c3c(CC(NN=2)=O)cc4OCOc4c3)NC(C)=O	407
+c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl	407
+c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F	407
+FC(F)(F)C(NC(=O)C(N1CCC(C1(C)C)C(Nc2cc(c(F)c(c2)F)Cl)=O)=O)C	408
+CC(C)(C)OC(=O)N1CC(OC)CC1C(=O)Nc2ccc(cc2F)-n3ccc(C)n3	409
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(Nc3c(cccc3)N)=O	409
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(Nc2ccccc2)=O)CNC(C)=O	409
+CC(C)(C)OC(N1CC(C(Nc2ccc(cc2)Cl)=O)CC(N=[N+]=[N-])C1)=O	409
+c1cc(N)c(NC(CCCCCCCNC(=O)c2c(C)[nH]c(C=NN=C3c4c(ccc(F)c4)NC3=O)c2C)=O)cc1	409
+CC(C)(C)OC(NCCC(Nc1ccc2c(n(S(=O)(=O)c3c4c(cccc4)ccc3)nc2)c1)=O)=O	410
+FC(F)(F)C(O)(C(Nc1ccc(c(OC)c1)S(=O)(=O)c2ccncc2)=O)C	410
+CC(C)C(=O)Nc1cccc(Oc2cc(F)cc(Nc3c(F)cc(cc3)I)c2C(N)=O)c1	411
+c1cc(ccc1OCCCCCCCCCCCCCC)CC(=O)Nc2cccc(CO)c2	412
+c12NC(Cc1ccc(c2)-c3cc(OCC)ccc3)=O	413
+C1OC(CCC1)OCC2CCc3cc(NC(C)=O)ccc3O2	414
+O=S1(=O)CCCN1c2ccc(cc2)NC(=O)C(CCC)Oc3cccc(-c4noc(n4)C)c3	415
+C1CC(CCO1)CC(C(=O)N(C)OC)c2nn(C)c(SC)c2	416
+C1CN(CCC1)CCCCCCCCCC(CBr)OC(=O)C	417
+c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3N2C(C3(Br)C(c4cc5COCCn5n4)OC(C)=O)=O)=O	418
+c1cc(ccc1CN(Cc2n(ccn2)C)Cc3[nH]ccn3)CN(CCC(=O)OCC)CCCCN(CCC)CCC	419
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(Cc4ccc(cc4)C)c(cc3c2)COC(C)=O	420
+FC(F)(F)C(Cl)=CC1C(C)(C)C1C(=O)OCc2c(c(F)nc(c2Cl)F)Cl	421
+C(OC(=O)C)c1c(Br)c(C)cc(OC(=O)C)c1	422
+CC(C)(O)c1ccc2c(CCN(C2=O)c3cccc(Br)c3COC(=O)C)c1	423
+CC(C)(C)OC(N1CCC2(CC1)c3n(c(cc3)C#N)-c4c(cc(COC(C)=O)cc4)O2)=O	424
+c1(Br)cc(cc(Br)c1COC(C)=O)F	425
+Cc1cc(cc(C)c1O)CC(OC)=O	426
+Cc1nc(N)nc(NCCCCC)c1Cc2ccc(cc2F)CC(OC)=O	427
+C(CCCCCCC(=O)OCCCCCC)C=CCCCCCCCC	428
+c1cc(ccc1)COC(COc2cc(C)c(c(c2)C)S(=O)(=O)Cl)=O	428
+c1cc(ccc1C(N2CC(=NOC)CC2C(=O)OC3CCCC3)=O)-c4ccccc4C	429
+C1CC(CCN1C(c2ccccc2)C(OC3CN4CCC3CC4)=O)C(N)=O	430
+C1CC(=O)N(C1=O)OC(CCCOc2cc3c(C(CCCN(C)C)c4c(cccc4)CC3)cc2)=O	431
+CC(C)C(c1cc(C)ccc1OC)CCC(=O)O	432
+C1N(CC1SC(=O)C)c2scc(C(=O)NC3CN(CC3)C(=O)OCc4ccc(cc4)[N+]([O-])=O)n2	433
+CC(C)(C)OC(NCC(SC(C)=O)C)=O	434
+c1cc(ccc1C(Cc2c(ccc(-c3sccc3)c2)OC)=O)F	435
+CC(C)(C)OC(=O)N1CC(C(c2cc(F)c(Cl)cc2)=O)CC1	436
+c1cc(ccc1CC(=O)c2ccc(cc2)F)SC	437
+CCC(c1cccnc1F)=O	438
+n1ccc2cccc(c2c1)C(=O)C	439
+C1CCCCN1c2ccc(cc2)C3(OC)OC3(C)C	440
+O=S(=O)(c1cc2C(C(C)(C)C(Nc2cc1)c3cc(ccc3)[N+](=O)[O-])O)C	441
+CC1(C)c2ccc(NC(=O)C)cc2NC(C1)=O	442
+O=S(=O)(c1ccc2NC(C(C)(C)Cc2c1)c3cccc([N+](=O)[O-])c3)C	443
+O=S(=O)(c1ccc2NC(C(C)(C)Cc2c1)c3cccc([N+](=O)[O-])c3)C	444
+c1cc(ccn1)-c2cc3c(C(NC(CCC)(CCC)N3)=O)s2	445
+COc1cc2CC3(C(=CC(=O)CC3)c2cc1)C	446
+c1c(c(c2c(c1)C3=CC(=O)CCC3(CCCC)C2)C)OC	446
+CC1(C)CC2(CC1)CNC(=O)C2	447
+O=S(=O)(c1ccc(c(Cl)c1C=2CC(ON=2)C)C(=O)OC)C	448
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=4CC(ON=4)C(OC)OC	449
+c1ccccc1C(c2ccccc2)C3OC3	450
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(C3=C(N(CC(C)(C)O)N(c4ccccc4)C3=O)C)=O	451
+c1ccccc1N2N(C(=C(C(Nc3cc(F)c(O)cc3Cl)=O)C2=O)C)C	452
+c1cc(ccc1C(=O)C)N2C(CC)=NC(CCC)=C(Cc3ccc(cc3)-c4ccccc4C#N)C2=O	453
+CC(C)(C)[Si](C)(C)OCC1=CC([N+](=O)C=C1)=C=[N-]	454
+c1c(F)c(ccc1F)C(Cn2ncnc2)(C(C)C=3C=C[N+](=O)C(C=3)=C=[N-])O	455
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CN3C(=O)N(N=C3CCCC)c4c(ccc(C(=O)OC)c4)Cl)cccc1	456
+FC(F)(F)c1cc(ccc1N2C(=NNC2=O)CC3CCN(C3)C(=O)C4CC4)Br	457
+FC(F)(F)c1cc(ccc1N2C(=NNC2=O)CC3CCN(C3)C(=O)C4CC4)Br	458
+COc1ccc(CCBr)c([N+]([O-])=O)c1	459
+C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O	460
+C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O	461
+C1CC(CC1CBr)CC	462
+n1c(c2c(nc1NCc3ccc(c(Cl)c3)Cl)ncn2CCCCBr)O	463
+C(CCCCCCCCCCCCBr)CCCCOC(C)=O	464
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCBr	465
+O=S1(=O)CCC(CC1)CCBr	466
+CC(C)(C)OC(=O)NC(CC#N)Cc1ccccc1	467
+CC(C)(C)OC(=O)NC(CC#N)Cc1ccccc1	468
+CC(C)(C)OC(=O)NC1C(CCCC1)CC#N	468
+CC(C)(n1ncc(c1)-c2ncnc3c2cc[nH]3)CCC#N	468
+CC1(C)C(Cl)(Cl)C1CC#N	468
+FC(F)(F)C(CCC#N)C	468
+C[Si](C)(C)CCOC(C(CC)c1c(I)cccc1)=O	469
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2ncnc3sc4CCC(CC(=O)N)c4c23)C	470
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2ncnc3sc4CCC(CC(CC)O)c4c23	471
+Clc1cc(Cl)c(N2CCCn3c2nc4c(Cl)ccc(c34)C(CC)O)cc1	472
+C1(c2c[nH]c3c2cccc3)(CCc4cc(ccc14)F)CC	473
+CC(C)C(c1cc(C)ccc1OC)CCC(N)=O	474
+O(c1c2cc(c(OC)cc2ncc1)OC)c3ccc(C)cc3C(=O)CC	475
+CC(C)(C)[Si](C)(C)OC1C(C(c2cnccc2)OC1)CCC(=O)OC	476
+C(CCCCCCCC(OC)=O)CCCCCCCCC(CC)C	477
+C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC	477
+C(CCCCCCCC(OC)=O)CCCCCCCCC(CC)C	478
+C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC	478
+CC(C)(CC=C)CCO	479
+c1cc(ccc1S(=O)(=O)n2c3ccc(cc3c(C4C(CCO)C4)c2)C#N)C	480
+c1ccccc1-c2ccc(cc2)CCCCCO	481
+c1cc(ccc1C2CCC(CC2)C(=O)OC)CCC3CCC(CC3)CCC	482
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)OC	483
+c1cc(ccc1Cl)-c2c(ncc(C(=O)NC3CCCCC3O)c2)CCCOC	484
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(Cl)cnc(CCCO)c4	485
+c1ccc(CCC)cc1OCOC	486
+c1nn(c2c1C(CCCl)CCC2)-c3cc(c(cc3)Cl)Cl	487
+c1ccccc1OCCCCC(CCl)C	488
+c1ccccc1OCCCCC(CCl)C	489
+C(OC(=O)CCOCCCl)C	490
+CC(C)(n1ncc(c1)[N+]([O-])=O)CI	491
+CC(C)(C)OC(Nc1ccc(CCI)nc1)=O	492
+FC(F)(CI)c1ncc(cc1)C	492
+FC(F)(F)CCC(c1cccc(c1)Cl)CI	493
+C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O	494
+C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O	495
+CC(C)(n1ncc(c1)[N+]([O-])=O)CI	495
+ICC(COCCCCCCCC)OCCCCCCCC	495
+CC(C)(C)[Si](C)(C)OC(CCC1CCC(N1CCCc2ccc(cc2)C(=O)OC)=O)Cc3ccc(cc3)F	496
+CC(C)(C)[Si](C)(C)OC(Cc1cc(-c2ccccc2)ccc1)CCC3CCC(N3CCCc4ccc(cc4)C(=O)OC)=O	496
+CC(C)(C)OC(N(C1CCN(CC1)C(OCc2ccccc2)=O)CCNC(OC(C)(C)C)=O)=O	497
+CC(C)(C)OC(N(C1CCN(CC1)Cc2ccccc2)CCP(OCC)(OCC)=O)=O	498
+c1cc(ccc1CN(CC)C(=O)COc2ccc(cc2)CCSc3c(cccc3)C(OC)=O)Cl	499
+c1cc(ccc1CN(CC)C(=O)COc2ccc(cc2)CCSc3c(cccc3)C(OC)=O)Cl	500
+C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O	501
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(Cc2ccc(cc2)Cl)CCN(CC)CC	502
+CC(C)(C)OC(=O)N(CC(c1cccnc1)O)CCCc2ccc(cc2)Br	503
+CC(C)(C)OC(=O)N(CC(c1cccnc1)O)CCCc2ccc(cc2)Br	504
+C1CN(CCN1CCOc2c(cc3c(c(Nc4cc(ccc4)Br)ncn3)c2)OC)CC(=O)OCC	505
+c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O	506
+c1cc(ccc1C)NC(CC2(NC(Nc3cccc(c3)OC)=O)C(N(c4ccccc24)CCN(C)C)=O)=O	507
+C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC	508
+C1CN(CCN1c2ccccn2)CC3CCCC4(OCCO4)C3	509
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2c3cccc(c3C=CC2=O)OC)Cc4cc5OCCOc5cc4	510
+O=C1N(c2cc(OC)ccc2C(C)=C1)CCN3CC(C(OCC)=O)N(CC3)CCc4ccc5c(c4)OCCO5	510
+c1cc(ccc1C#N)-c2nnn(Cc3cc(C(=O)Nc4sc5CC(CCc5n4)N(CCOC)C)ccc3)c2	511
+C1CC(CCC1N(CCCOc2c(Cl)cc(c(c2)OC)CO)C)OC(C(c3cccs3)(c4cccs4)O)=O	512
+C1N(CC1(O)c2cc(cc(F)c2)Cl)CC	513
+C1CCCN1c2c3c4ccccc4n(c3nc(N5CCCC5)n2)CCN6CCCCC6	514
+C1CN(CCN1c2ccc(cc2)OCCOC)CCN3C4N=C5N(N)C=NC(=C5N4N(C)C3=O)c6ccco6	514
+C1CN(CCO1)CCCCn2cnc3nc(NCc4ccc(c(Cl)c4)Cl)nc(O)c23	514
+C1CN(CCO1)CCCc2cc(c3n2ncnc3N)Br	514
+CC(C)(C)OC(NC(Cc1cnccc1)CN2CCC(CC2)C(c3ccc(cc3)F)=O)=O	514
+CC(C)(C)OC(NCC(CN1CCC(CC1)Oc2ccc(cc2)F)NC(OCc3ccccc3)=O)=O	514
+CN(C)CCCOc1cc(Nc2cc(-c3c(-c4cnccc4)c(C#N)c(SC)s3)c(cc2)C)ccc1	514
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4c(C(C)(C)C)cccc4)O	514
+O=C1N(c2cc(OC)ccc2C(C)=C1)CCN3CC(C(OCC)=O)N(CC3)CCc4ccc5c(c4)OCCO5	515
+c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O	515
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2c3cccc(c3C=CC2=O)OC)Cc4cc5OCCOc5cc4	516
+CC(C)(C)OC(NC(C(NC1C(O)CN(CCC)C(CC1)C)=O)CC2CCCCC2)=O	517
+c1cc(ccc1C2(O)CN(CC2)CCCOc3cc(OC)c(cc3C(=O)OC)Cl)Cl	518
+FC(F)(F)c1ccc(cc1)C23CN(CCCN4C=C(C(=O)NC4=O)c5c(F)nc(C)cc5)CC2C3	519
+C1CCCN(CC1)CCC2CCCc3n(ncc23)-c4ccccc4	520
+C1CN(CCO1)CCc2c(ccc(C)c2)[N+](=O)[O-]	520
+C1COCCN1CC2Cc3ccccc3CN2C(=O)OCc4ccccc4	520
+CC(C)(C)OC(N(CCCCN1CCN(CC1)c2cc(nc(n2)C(C)(C)C)C3CCC3)C)=O	520
+CC(C)(C)[Si](C)(C)OCc1cccc(n1)CCCN2CCOCC2	520
+CC(C)(Sc1cc2sc(N)nc2cc1)CN3CCCC3	520
+C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F	521
+c1cc(ccc1)C2CCN(CC2)CCC3c4cnn(-c5cc(c(cc5)Cl)Cl)c4CCC3	522
+c1cc(ccc1S(=O)(=O)n2c(cc3c2nccc3)-c4c5c(n(c4)CCN6CCOCC6)cc(c(OC)n5)OC)C	523
+C1C(CN1CC2Oc3c4ccc(C)nc4ccc3OC2)Cc5cn(c6c5cc(F)cc6)C	524
+C1CC(CCN1CCC2CCC(CC2)NC(=O)C)C(=O)c3ccc(F)s3	524
+C1CCCN1CC2(CCN(CC2)c3ncnc4nc[nH]c34)c5cccc(-c6cnn(C)c6)c5	524
+C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC	524
+C1CN(CCN1CCc2c(cccc2)[N+]([O-])=O)c3nsc4c3cccc4	524
+C1CN(CCN1CCc2c3ccc(cc3oc2)OC)c4c5ncccc5ccc4	524
+C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F	524
+C1CNCCN1CCOc2c(cc(F)cc2)F	524
+C1COCCN1CCc2sc3c(c2)c(N)nc(-c4cccc(C#N)c4)n3	524
+CC(C)(C)C(=O)Nc1cccc(-c2c(cc(CCN(C)C)c(c2)OC)OC)n1	524
+CC(C)(C)OC(=O)NC1CC(CN2CCC(CC2)Cc3ccccc3)CC1	524
+CC(C)(C)OC(=O)NC1CCN(CC1)CCSc2cnc3c(cc(cc3)OC)c2	524
+CC(C)(C)OC(N1CCN(CC1)CCCCc2cn(c3c(nc(CCCC)nc23)N)COCc4ccccc4)=O	524
+CC(C)C(N(C(c1cc(c(cc1)F)C)=O)C)CN2CCC(CC2)O	524
+CC1(C)Oc2c(c(CCN3CCC(CC3)C(=O)OCC)ccc2)CO1	524
+CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O	524
+CN(C)CCCn1c2c(ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)c2)nc1	524
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1	524
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4nc(CC(F)(F)F)cn4CCN5CCC5	524
+FC(F)(F)c1ccc(cc1)-c2c3c(cc(cc3)C#CCCCN4CCC4)sn2	524
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(c(OC)c3)C=4NOC(=O)N=4)c(n2)CCCN5CCC5	524
+c12c(OC(CO1)CN3CC(Cc4c[nH]c5cc(F)ccc45)CCC3)c6c(nc(cc6)C)cc2	524
+c1cc(ccc1)C2=CN(C(c3ccccc23)=O)CCCN4CCCCC4	524
+c1cc(ccc1)C2CCN(CC2)CCC3c4cnn(-c5cc(c(cc5)Cl)Cl)c4CCC3	524
+c1cc(ccc1)CN2CC3CCC(C2)C3N(C)CCCC(c4ccc(cc4)C#N)Oc5ccc(c(OC)c5)OC	524
+c1cc(ccc1OCc2ccccn2)-c3nc(CCN4CCCC4)c(C)o3	524
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1	525
+CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O	526
+CC(C)(C)C(=O)Nc1cccc(-c2c(cc(CCN(C)C)c(c2)OC)OC)n1	527
+c1cc(ccc1)C(C)(CN(C)S(=O)(=O)c2ccccc2)CC=C(C)C	528
+FC(F)(F)c1cc(c(cc1)N(CC)CC2CCC(CC2)CC(=O)OCC)C=O	529
+FC(F)(F)c1cc(c(cc1)N(CC)CC2CCC(CC2)CC(=O)OCC)C=O	530
+FC1(F)C(C2c3ccccc3N(CC(N)=O)CC2)C1	531
+FC1(F)CC1C2c3c(cccc3)N(CCN)CC2	532
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)N(Cc3cc(C)c(OCC(=O)OCC)cc3)CCCC	533
+c12c(cccc1)C(=O)N(C2=O)CCCCC=C	534
+c1ccc2c(c1)C(=O)N(C2=O)CC3CS(=O)(=O)N(C3)CC	535
+c12c(cccc1)C(=O)N(C2=O)CCCc3ccc(cc3)CCCCC	536
+C1CC(CCO1)N(c2cccc(C(OC)=O)c2Br)CC	537
+FC(F)(F)COc1ccc(cc1N2CCNCC2)F	538
+C1CN(CCN1)c2c(c(C)ccc2)C=3CC(C)(C)CC(C)(C)C=3	539
+CCN(c1cc(Cl)c(F)cc1)C(C)=O	540
+FC1(F)C(C2CCN3CCNCc4c3c2ccc4)C1	541
+CC(C)(C)OC(N(C(CCN1c2c(N(c3c(F)cccc3)S1(=O)=O)cccc2)c4ccccc4)C)=O	542
+c1c2c(CC(N(CCCNC(=O)Cc3cc(OC)c(OC)cc3[N+]([O-])=O)C)CC2)cc(c1)OC	543
+C1CCC(C1)C(=O)NCCn2c3CCN(Cc3c4cc(ccc24)C)C	544
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	545
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	546
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CCNC(=O)c3cccnc3	547
+CC(C)(C)OC(=O)N1CC(C1)(CNC(=O)c2c(ccc(F)c2Cl)F)C3CCCCN3C	548
+CN(C)C(C)(CCCC)CNC(=O)c1ccc(c(Cl)c1)Cl	548
+CC(C)(C)OC(=O)N(C)C(CNC(=O)c1cccc(C(OCCNC(OC)=O)c2cc(Cl)ccc2)c1)CC3CCCOC3	549
+c1cc(ccc1)C(=O)N(C)C(CCNC(=O)c2ccnc3ccccc23)Cc4ccccc4	550
+CC(C)(C)OC(=O)NC(CNCC(Cn1c2ccc(F)cc2c3c1ccc(F)c3)O)C	551
+CC(C)(C)OC(N1CCN(CC1)C(c2c(cccc2)F)CNCC(CC)CC)=O	552
+FC1(F)C(C2CCN3CCNCc4c3c2ccc4)C1	553
+c1cc(ccc1Nc2ncc(cc2)C(=O)N)CCNCc3ccccc3	554
+c1(cc(ccc1F)CC2CNCCO2)C	555
+CC(C)(C)OC(=O)NC(CO)CNCCN	556
+C1CC(CCC1CNCC)CC(=O)OCC	557
+c1cc(ccc1Cl)CNCC	557
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CNCC(F)(F)F)=O)cnc12	558
+CC(C)(C)OC(=O)N1C(CC2CCCC12)CNCc3ccccc3	559
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CNCC(F)(F)F)=O)cnc12	559
+c1(Cl)cc(cc(Cl)c1NCC(OCC)=O)CCNC(C(c2ccc(cc2)O)O)C	559
+c1cc(ccc1)CCOCCC(N(C)CCNCC(O)c2c3SC(=O)Nc3c(OCc4ccccc4)cc2)=O	560
+c1cc(ccc1)CCOCCC(N(C)CCNCC(O)c2c3SC(=O)Nc3c(OCc4ccccc4)cc2)=O	561
+FC(F)(F)c1cc(-c2[nH]c(nc2)C3CCC(CC3)CNCC)ccc1	562
+C1CN2CCC1C(NCCc3n(C)c4ccccc4c3)C2	563
+FC(F)(F)Oc1ccc(cc1)CNCC	563
+c1cc(ccc1Br)CCCNCC(c2cccnc2)O	563
+C1CN2CCC1C(NCCc3n(C)c4ccccc4c3)C2	564
+c1cc(ccc1C(OCC)=O)-c2cc(-c3ccc4C(C)(C)CCC(C)(C)c4c3)c(cc2)OCCCNC5CC5	565
+CC(C)(C)OC(NC(C(O)CNCc1cc(ccc1)OC)Cc2cc(F)cc(F)c2)=O	566
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(C)c(OCCNCCO)c(CC)c4)c2)OC	567
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)CNCCO	567
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCNC(C)C	567
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCNC(C)C	568
+O=S(=O)(NCCOc1c(cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)cc1Br)OCC)C	569
+n1cccnc1NCCN2CC(O)C(CC2)NCc3ccccc3	570
+CC(C)(C)OC(N1CCC(CC1)(CCCNc2ccc(nc2C)N3CC(CC3)N4CCCC4C)C(=O)OCC)=O	571
+C[Si](C)(C)CCOCN1C(c2cc(ccc2N=C1n3ncc(C(OCC)=O)c3)NCC)=O	572
+CC(C)(C)OC(=O)NC(CN=[N+]=[N-])CCC(OC)=O	573
+C(C)(=O)CC(C(O)CN=[N+]=[N-])O	574
+CC(C)(C)OC(=O)NC(CN=[N+]=[N-])CCC(OC)=O	574
+CC(C)(C)OC(N1CC(CC1CN=[N+]=[N-])O)=O	574
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(N3C(=O)OC(CN=[N+]=[N-])C3)cc2)F)=O	574
+[N-]=[N+]=NCCCCC#C	574
+[N-]=[N+]=NCCCC1NC(c2[nH]c3c(cc(OC)cc3)c2C1)=O	575
+FC(F)(c1ccc(C)cn1)CN=[N+]=[N-]	576
+C(C=CCC=CCCCCC)C=CCC=CCCCCN=[N+]=[N-]	577
+CC(C)(C)OC(=O)N1CC(CC(CN=[N+]=[N-])C1)N2C(c3c(noc3C)-c4c(Cl)cccc24)=O	578
+c1cc(ccc1C#N)C(CCN=[N+]=[N-])n2ccnc2	579
+CC(C)(C)OC(=O)N1CC(CC(CN=[N+]=[N-])C1)N2C(c3c(noc3C)-c4c(Cl)cccc24)=O	580
+CC(C)(C)OC(NC(CC1CCCOC1)CN=[N+]=[N-])=O	580
+Cc1ccccc1-c2c(ccc3CC(CN=[N+]=[N-])Oc23)F	580
+FC(F)(c1ccc(C)cn1)CN=[N+]=[N-]	580
+O=S(=O)(C)c1cc(C(CCN=[N+]=[N-])NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)ccn1	581
+c1cc(ccc1C#N)C(CCN=[N+]=[N-])n2ccnc2	581
+CC(C)(C)OC(C1CC2(CCC1(CC2)CN)CN)=O	582
+CC(C)(C)OC(=O)NC(CN)C	583
+CC(C)(C)OC(C1CC2(CCC1(CC2)CN)CN)=O	583
+FC(F)(c1ccc(C)cn1)CN	584
+C(C=CCC=CCCCCC)C=CCC=CCCCCN	585
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	586
+C1COCCN1CCCN2C=3c4cc5OCOc5cc4C(C=3c6c(cc(c(OCCCN)c6)OC)C2=O)=O	587
+NCCc1cc(Cc2cccnc2)cc(CCC(OCC)=O)c1	588
+c1cc(ccc1SC(C#N)(CCCCCN)c2ccc(OC)c(c2)OC)C	589
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCN)OC)OC	590
+FC(F)(c1ccc(C)cn1)CN	591
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	592
+O=S1(=O)N(CC(CN)C1)CC	593
+c1cc(ccc1CCCN)CCCCC	594
+O=S1(=O)N(CC(CN)C1)CC	595
+c1cc(ccc1C(n2cncc2)CCN)C#N	596
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	597
+CC(C)(C)OC(NC(CC1CCCOC1)CN)=O	598
+C(C=CCC=CCCCCC)C=CCC=CCCCCN	599
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	599
+CC(C)(C)OC(NC(CC1CCCOC1)CN)=O	599
+CC(C)(C)OC(NC(COC)CN)=O	599
+Cc1ccccc1-c2c(ccc3c2OC(CN)C3)F	599
+FC(F)(c1ccc(C)cn1)CN	599
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	600
+O(CC)P(OCC)(CCOCCN)=O	601
+O=S(=O)(c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCN)C	602
+c1cc(ccc1C(n2cncc2)CCN)C#N	602
+O=S(=O)(c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCN)C	603
+c1cc(ccc1)-c2sc(C)c(n2)CCN	603
+c1cc(ccc1C(n2cncc2)CCN)C#N	603
+Cc1ccccc1-c2c(ccc3c2OC(CN)C3)F	604
+c1ccccc1COC(=O)NC(CN)COC	605
+c1ccccc1COC(=O)NC(CN)COC	606
+c1c(C)nc(CCN)cc1	607
+c1cc(ccc1CCCN)CCCCC	607
+CC(C)(C)OC(=O)NC(CCC(OC)=O)COS(=O)(=O)c1ccc(cc1)C	608
+CC(C)(C)OC(=O)NC(COS(=O)(=O)c1ccc(cc1)C)Cc2ccccc2	608
+C1OC(CCC1)OCC2Oc3c(cc(cc3CC2)F)[N+]([O-])=O	609
+CCOC(Cc1ccco1)=O	610
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(cc(c3)Br)F)=O	611
+c1cc(ccc1Br)-c2nc(c(C)o2)CCOCc3ccccc3	611
+C(CCCOCCCOCCCCCCCCCCCCCCCCCC)O	612
+c1cc(ccc1)C(CC=C)(COC)C	613
+C1CCC(C1)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	614
+CC(C)(C)OCCCON	615
+O=S(=O)(C)OCCCC1=C(c2ccc(C)nc2N(CC)C1=O)c3cccc(c3)Cl	616
+O=S(=O)(C)OCCCC1=C(c2ccc(C)nc2N(CC)C1=O)c3cccc(c3)Cl	617
+O=S(=O)(C)OCCC(C)(C)CC1OCCO1	618
+O1CCOC12CCC(CC2)(CC)COS(=O)(=O)c3ccc(cc3)C	619
+CC(C)(C)[Si](C)(C)OCC1C(CCN1C(=O)OC(C)(C)C)O	620
+CC(C)(C)[Si](C)(C)OCC(C)(C)c1cc(N)n(-c2ccccc2)n1	621
+CC(C)(C)[Si](C)(C)OCC(C)(C)CCC#N	622
+CC(C)(C)[Si](C)(C)OCCc1cc([N+](=O)[O-])cc(F)c1N(Cc2ccccc2)C	623
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)CCOc3c4c(cccc4)c(C=O)cc3)C	624
+CC(C)(C)OC(N1CC(C1)CCOc2cccc(Oc3ccc(cc3)Cl)c2)=O	625
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)CCOc3c4c(cccc4)c(C=O)cc3)C	625
+c1ccccc1OCC(n2c3cc(F)c(cc3nc2-c4ccc(cc4)Cl)F)C5CCCCC5	626
+c1cc(-c2oc(-n3c(ncc3)C)nc2CCCCOc4c(C)cccc4)c5c(cccc5)c1F	627
+C(C)N(CC)CCOc1c2c3c(c(ccc3)C)n(Cc4ccc(cc4)F)c2ccc1	628
+C(C)N(CC)CCOc1c2c3c(c(ccc3)C)n(Cc4ccc(cc4)F)c2ccc1	629
+C1CC(CCN1c2nc(no2)C(C)C)COc3ccc(nc3)-c4c(F)cc(cc4)SC	630
+c1cc(c(c(F)c1OCCOC)C#N)I	631
+c1cc(OCCBr)cc([N+]([O-])=O)c1OCC(OC)=O	632
+CCN(CC)CCOc1c(Cl)cc(Cl)c(c1)-c2nc(N)nc3sc(cc23)C(OCC)=O	633
+CN(C)CCOc1ccc(cc1)C(Cc2ccc(cc2)Cl)=O	634
+C(CCCCC)Oc1cc2c(cc1)c(-c3cnccc3)cs2	635
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(OCC)cc3)C1=O)N(c4ccc5nc(oc5c4)C)C	635
+c1cc(ccc1OCCCCCC)S(=O)(=O)N(CC(C)C)CC(=O)OCC	635
+FC(F)(F)c1cc(-c2cc3n(nnc3c(C#N)n2)C)ccc1OCC4CCN(CC4)c5cc(ccn5)C	636
+c1cccc2nc(-c3c(OCCOCCOCCOC)cc([N+](=O)[O-])cc3)sc12	637
+CC(C)(C)OC(=O)NC(COc1c(cc(N)cc1)-c2n(C)ncc2)C	638
+FC(F)(F)c1cc(-c2cc3n(nnc3c(C#N)n2)C)ccc1OCC4CCN(CC4)c5cc(ccn5)C	638
+O=C1c2c(cccc2)C(=O)N1C(COc3c4c(cncc4)ccc3)C	638
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(Br)c2)O	638
+C1C(CC1)N2CCc3cc(ccc3CC2)OCCCC(=O)OCC	639
+C1CCC(C1)c2c(OCCCC(=O)OC)ccc(-c3c4c(c(Br)c5ccccc35)sc(C)c4C)c2	640
+FC(F)(F)COc1c(CC(OC)=O)ccc(c1)OCC2OC2	641
+CC(C)Oc1cc(C(=O)Nc2ncc(C(=O)OC)cc2)cc(OCC(C)C)c1	642
+c1cc(ccc1N2CCN(CC2)c3ccncc3)OCCCC(OCC)=O	643
+c1(cccc(OCC)c1Br)C(=O)C	644
+c1cc(ccn1)OCC(C2CCCCC2)n3c4c(nc3-c5ccc(cc5)Cl)cc(c(c4)F)F	645
+FC(F)(F)c1ccc(cc1)-c2nc(c(o2)C)CCO	646
+O=S(=O)(C)c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCO	647
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(SCCCO)cc3Oc4ccccc4)sc2	648
+C1CCN(C(=O)CCCO)c2cccc(Br)c12	648
+C1CN(CCO1)Cc2[nH]c3c4c(C5CC(CO)CN(C#N)C5Cc24)ccc3	648
+CC(C)(C)OC(=O)N1CC(CO)C(CC1)c2ccc(cc2)Cl	648
+CC(C)(C)[Si](C)(C)OC1CCN(C1CO)C(=O)Nc2c(C)c(Cl)c(C#N)cc2	648
+CC(C)=CCCCCCO	648
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)-c3cnn(C4(CC(C4)CO)CC#N)c3	648
+c1cc(ccc1)-c2oc(c(n2)CCO)C	648
+c1ccccc1CC(=O)NC2C(N(Cc3ccc(cc3OC)OC)C2=O)CO	648
+C(CCCO)n1c2c3c(cccc3)ncc2nc1CCC	649
+C1CC1OC2CC(N(C2)C(=O)OCc3ccccc3)CO	650
+CC(C)(C)OC(=O)N1CC(CC(CO)C1)N(C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C)C	650
+CC(C)(C)[Si](C)(C)OC1CC(N(C(=O)OCc2ccc(cc2)OC)C1)CO	650
+c1cc(ccc1)C(N2C(CC(CC(C)CO)C2)=O)C	650
+CC(C)(C)OC(=O)N(C(CCO)c1ccc(cc1)OCc2ccccc2)C	651
+c1[nH]c2c(c1CCCO)c(C)c(cc2)[N+]([O-])=O	651
+C(C)N(CC)C(c1ccc(cc1)C(CCO)c2cccc(OC)c2)=O	652
+CC(C)(C)c1cc(n(-c2ccc(cc2)CCO)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	652
+COc1ccc(CCO)c([N+]([O-])=O)c1	652
+Clc1cccc(c1)C2=C(C(N(c3nc(C)ccc23)CC)=O)CCCO	652
+c1cc(ccc1)CN(C2C(CO)CN(CC2)CCc3ccc(cc3)F)C	652
+c1ccccc1OCCCCC(CO)C	652
+C1C2CCCC(CC1C(OC)=O)C2N3C(=O)C(C)(C)C(C3)CO	653
+c1(C(C(N)CO)C)[nH]cnc1	654
+CC(C)(C)OC(=O)N1CC(CO)CC(C1)N2c3cccc(Cl)c3-c4noc(c4C2=O)C	655
+C1CN(CCO1)c2c(c(c(C(OCC)=O)s2)C(c3cc(c(Cl)cc3)Cl)CCO)C#N	656
+CC(C)(C)OC(N(c1ccc(I)cc1F)C=2N(C)C(=O)C=CC=2NS(=O)(=O)C3(CC3)CCO)=O	656
+CC(C)c1c(cc2OCOc2c1)CCO	657
+c1cc(ccc1Br)-c2nc(c(o2)C)CCO	658
+O=S(=O)(C)OCC(CCCCC)c1c2OCOc2ccc1	659
+O=S(=O)(OCC(C)(C)n1ncc([N+]([O-])=O)c1)C	660
+CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O	661
+CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O	662
+O=S(=O)(C)OCCCC1Cc2c(C(=O)N1)[nH]c3ccc(OC)cc23	663
+c1ccccc1COC(=O)NC(COS(=O)(=O)C)COC	663
+O=S(=O)(C)c1cc(C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CCOS(=O)(=O)C)ccn1	664
+c1c(C=2C(NC(=O)C=2c3cn(C)c4ccccc34)=O)c5c(cccc5)n1CCCS(=O)C	665
+c1ccccc1Oc2ccc(cc2)CCCC	666
+C(CC)CCCCCCc1c(c(ccc1)F)F	667
+CC(C)(C)OC(N1CCC1COc2cnc(Cl)c(c2)CC)=O	668
+CCCCCCCCCCCCc1sccc1	669
+C1CC2(CCN1Cc3ccccc3)Cc4c(C2)ccc(OC)c4	670
+CC(C)(C)OC(=O)NC1CC(CC(c2c(cncc2)NC(=O)c3nc(-c4c(cc(cc4F)CC)F)c(F)cc3)C1)C	671
+C1N(C)CCCC1Cn2cc(-c3cc(C#N)ccn3)nc2	672
+C1N(CC=C(COc2ccccc2I)C1)C	673
+CN(C)C1CCC(c2cc(cc(F)c2)Br)=CC1	674
+O1CCOC12CCC(c3cc(F)c(F)cc3F)=CC2	674
+c1cc(C=2CCC(CC=2)C=C)c(c(F)c1OCC)F	674
+C1C(c2cccc(c2F)F)=CCC(CCCCC)C1	675
+C1CC1CN2CCN(CC2)c3c(C=4CC(C)(C)CC(C)(C)C=4)cccc3	676
+c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2	677
+CC(C)(C)[Si](C)(C)OC(CCCC(C=CC1C(OC2CCCCO2)CC(Cl)C1CCCc3ccc(C(OC)=O)s3)O)C	678
+c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2	678
+c1cc(ccc1)CC(=O)C=CC2N(CCCCOCC(=O)OC)C(CCC2)=O	679
+C(CCCCCC(OC)=O)CCCCCCCCC=CC(CC)C	680
+O(C)c1c(cc(C(=O)OC)cc1OC)CCC=CCC	680
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F	681
+c1ccccc1COc2cc3C=CC(C)(C)Oc3cc2	682
+c1ccccc1COc2cc3C=CCc3cc2	682
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F	683
+CC(C)(C)OC(=O)N1CCC(C1)C=C	684
+CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C	685
+c1ccccc1COCC(OCC=NO)CC=C	686
+CC(C)(C)OC(NC(Cc1ccccc1)(C)C=NO)=O	687
+CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C	687
+FC(F)(F)C(C=Nc1cc(cc2c1cnc(C)n2)F)(CC(c3cccc(c3OC)F)CCC)O	688
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=O)F	689
+CC12C3CCC4(C(CCC4C=O)C3CCC1CC(C)(O)CC2)C	689
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1	690
+CC(C)(c1c2c(ccc1)CCO2)CC=O	691
+CC(C)(COc1ccc(cc1)OC)C=O	692
+COc1c(cc(F)c(c1)CC=O)C#N	692
+c1c(OC)c(c(cc1CC=O)OC)OCc2ccccc2	692
+C1CC(CCN1OC)CC=O	693
+CC(C)(C)OC(=O)CC1CC(C(N(C(CC)C=O)C1=O)c2ccc(cc2)Cl)c3cc(Cl)ccc3	693
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CCCCC2)CC=O	693
+c1(C(C=O)C)ncccc1Cl	693
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCC=O)c1	693
+c1cc(ccc1F)C(C)(C)CCC=O	693
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1	694
+C1OC(CCC1)OCC(C)C=O	695
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)C=O)=O)cnc12	696
+CC(C)(C)C(=O)Nc1nc(ccc1)-c2c(OC)cc(CC=O)c(c2)OC	697
+CC(C)(C)OC(=O)N1CC(CC1C)c2ccccc2	698
+CC(C)S(=O)(=O)NC1C(O)(c2ccc(cc2)F)CCC1	699
+c1cc(ccc1)COC(N2CC(CC)C(C2)N=[N+]=[N-])=O	700
+c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O	701
+c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O	702
+CC1(C)Cc2c(OC)cccc2C1N3CCCCC3	703
+C1CC2(CCC1OC)Cc3cc(c(Br)cc3C2=N)F	704
+CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(cc1)Oc2cc3c(COC3)cc2)C	705
+c1cc(ccc1OCC(=O)Nc2c(C(=O)OC)cc(cc2)Br)C#N	706
+FC(F)(F)Oc1ccc(cc1)CN2C(CC(C)C2=O)c3ccccc3-c4ccccc4	707
+CC1CN(CC(C)O1)C2CCN(CC2)CC34c5c(cccc5)C(C3)c6c4cc(cc6)Cl	708
+O=S(=O)(c1ccc(cc1)N2C(C=CC(c3cc4CCN(CCc4cc3)C5CCC5)=N2)=O)C	709
+C1C(CC1)N2CCc3c(cc(Oc4c(cc(cc4)I)F)cc3)CC2	710
+C1CCC(C1)N2CCc3c(CC2)cc(cc3)Oc4ncc(C(NC)=O)cc4	711
+CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4	712
+CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4	713
+C1CC(CCN1C(C)=O)C(=O)Nc2cc(ncn2)-c3ccccc3OCC	714
+C1CC(CCN1C(C)=O)COc2c3c(cccc3)c(Cl)cc2C(NC(C)(C(=O)OCC)CC)=O	714
+c1cc(ccc1CC(C)(C)C(N2CCCC(CNC(=O)Nc3cc(-c4n(nnn4)C)ccc3)C2)=O)F	715
+c1cc(ccc1C2(CCC2)C(N3CC(CO)CCCC3)=O)Cl	716
+C1CN(CCN1C)C(c2cccc(c2)Br)c3ccc(cc3)Cl	717
+CC(C)(C)OC(N1CCN(CC1)C(NO)=N)=O	718
+FC(F)(F)C(=O)N(C(C)c1ccccc1)C2CCC3(OCCO3)CC2	719
+C1CC(CCN1C)N(C(=O)Cc2ccc(OC)c(O)c2)Cc3ccc(cc3)C	720
+C1CC2(CCC(CC2)N(C)c3nc(ncc3C)Nc4cn(C)nc4)CCN1C(=O)CC#N	721
+C1CN(CCC1C)C(Cc2ccc(cc2Cl)[N+](=O)[O-])=O	722
+CC(C)(C)OC(NC(Cc1ccc(c(F)c1)Cl)C(N2CCN(CC2)c3c4c(ncn3)CSC4CC)=O)=O	723
+c1cc(ccc1F)-c2nc(n(CC(=O)N3CCN(CC3)c4cc(OC)ccn4)n2)-c5ccc(cc5)F	723
+C1C(CN1C(=O)CCOCCc2ccc3c(ccs3)c2)O	724
+FC(F)(F)c1ccnc(COCC(=O)N2CC(NC(OC(C)(C)C)=O)CC2)c1	724
+C1CC(CCN1C(Cn2nc(cc2Cl)Cl)=O)c3nc(C(N(C4CCCc5ccccc45)C)=O)cs3	725
+c1ccccc1COC(=O)C2OCCN(C2)C(CCl)=O	726
+CC(C)(C)C(C)C(=O)N1CCC(CC1)c2c3c(ncc(NC(=O)c4cccc(C#N)c4)c3C)n(C)c2	727
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2c(N(S(=O)(=O)C)C)cccc2)Cc3ccc(cc3)Cl)=O	727
+c1cc(ccc1C(C)C)CC(N2CCN(CC2)c3c(c(ncn3)N)C=NOCC)=O	727
+c1cc(ccc1C(C)C)NC(C2CCN(CC2)C(CCC3CC3)=O)=O	727
+C1CC(CCC1C(=O)N2CCNCC2)CN3C(N(c4ccccc4C3=O)C)=O	728
+C1C(CC1)(C(=O)N2CCC(Nc3cc(c4cc(OC)ccc4n3)C)C2)c5ccc(cc5)Cl	729
+C1CC(CCN1C(=O)C2CCN(CC2)C(=O)C)N(CCC)C3Cc4c(CC3)ccc(OC)c4	729
+c1cc(ccc1Cl)C2CN(CCC2C(Nc3ncc(cc3)C#N)C)C(C4CCN(CC4)c5ccc(cn5)C#N)=O	729
+c1cc(ccc1N2CCN(CC2)C(C3CC34CCN(CC4)C5CCOCC5)=O)OC	730
+CC(C)(C)OC(N(Cc1c(F)cc(cc1)F)C2CN(Cc3ccccc3)C(C(=O)N4CCN(CC4)c5ccc(cc5)C(C)=O)C2)=O	731
+CC(C)(C)C(=O)N(C)c1ccc(cc1)C#N	732
+CC1(C)CN(c2cc(Cc3ccc(cc3)F)c(cc12)C#N)C(CCl)=O	733
+c1ccccc1-c2ccc(cc2)NC(=O)CC(=O)N3CCC(CC3)Nc4c(cccc4)C	734
+C1CN(CCN1C)C(=O)CCc2cccc(c2)O	735
+FC(F)(F)Oc1ccc(C2CC(CN(C(=O)N3CC(C3)O)C2)c4nc(OCC)no4)cc1F	736
+C1CN(CCC1=Cc2cc(Oc3ccc(cn3)OC(C)C)ccc2)C(=O)Nc4nnccc4	737
+FC(F)(F)c1ccc(cc1)CNC(=O)N2CC(c3cc(ccc3)OC(C)(C)C(OCc4ccccc4)=O)CCC2	738
+C1CN(CCC1=Cc2cc(Oc3ccc(cn3)OC(C)C)ccc2)C(=O)Nc4nnccc4	739
+C(N1c2c(ccc(c2)-c3nc(cs3)C(=O)OCC)CC1)(Nc4sc5c(cccc5)n4)=O	740
+C1CC(CCN1C(=O)Nc2ccccc2)(O)Cn3c4c(nc3COCC)cnc5ccccc45	741
+C1CN(CCC1Nc2ncc(C(=O)OC)cc2)C(Nc3ccccc3)=O	742
+C1CN(CCN1C)C(=O)Nc2cccc3nc(ccc23)NC4c5c(CC4)cccc5	743
+n1cc(cnc1NCC2CCN(CC2)C(=O)OCc3ccccc3)-c4ccc(cc4)S(=O)(=O)C	744
+C1CN(CCC1(c2c(C)cccc2)C#N)C(OCC)=O	745
+C[Si](C)(C)CCOC(N1CC(C(CC1)c2ccc(cc2)F)OCc3cc4c(cccc4)c(OCOCC[Si](C)(C)C)c3)=O	745
+C1CN(CCC1n2c3ncnc(Oc4cccnc4C)c3cn2)C(=O)OC5CCCCC5	746
+C1CN(CCN1C(=O)OC)C(C#Cc2cccc(c2)Cl)CC	747
+c1cc(ccc1)COC(=O)N2CC3C(=O)CCC3C2	748
+c1cc(ccc1Br)OC(N2CCc3c(O)nc(nc3C2)C)=O	748
+CC(C)(C)OC(=O)NCCN(C1CCC(CC1)(O)CC(OCc2ccccc2)=O)C(OC(C)(C)C)=O	749
+CC(C)(C)OC(=O)N(C1CC=C(CC1)c2c3c([nH]c2)ccc([N+](=O)[O-])c3)CC	750
+CC(C)(C)OC(=O)N(C1C(F)CN(C1)C(OCc2ccccc2)=O)C	751
+CC(C)(C)OC(=O)N(C1c2c(cc(cc2)C#N)OCC1)C	751
+CC(C)(C)OC(N1CCCC(N(C(=O)CC)c2ccccc2)C1)=O	752
+C1CN(CCN1C(=O)OC2CN(CC2)c3ncc(C(=O)N)cc3)C(C)C	753
+C1CN(CCN1C)C(=O)c2ccc3CN(c4c(cccc4)Cn23)C(c5ccc(cc5)C6CCCCC6)=O	754
+c1cc(ccc1S(=O)(=O)N(C)Cc2c(Cl)c(C(=O)N3CC(C(NCc4onc(C)n4)=O)Oc5ccccc35)sc2)Cl	755
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CC2)C(=O)c3ncn(-c4ccc(cc4)S(=O)(=O)C)c3	756
+FC(F)(F)c1cc(-c2occc2)cn3c(Cl)c(C(N4C(CN(C)CC4)c5ccccc5)=O)nc13	757
+C1CN(CCN1C(c2n[nH]c(-c3cnc(nc3)Oc4ccccc4)c2)=O)C	758
+C1CC1c2cccc(n2)C(N3CCN(C(OCc4ccccc4)=O)C(C)(C)C3)=O	759
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)C(=O)c3ccccc3	760
+C1CN(CCN1C(CNC(=O)c2ccc(cc2)Oc3ccccc3)=O)C(c4ccc(cc4Cl)Cl)=O	761
+c1cc(ccc1Nc2nc3-n4c(N(C(=O)c3cn2)c5c(cccc5Cl)Cl)ncc4)C(=O)N6CCC(CC6)N(C)C	762
+CC(C)(C)OC(=O)N1C2(CCN(CC2)C(=O)c3ccc(cc3)-c4cn5c(-c6ccc(cc6)C#N)cnc5cc4)CCCC1	763
+CC(C)(C)OC(N1CCN(CC1)C(c2cc(nc3c2c(nn3C4CCCCO4)I)Cl)=O)=O	763
+c1cc(ccc1NC(C2CN(CC(C2)N=[N+]=[N-])C(=O)c3cc(-c4occc4)ccc3)=O)Cl	764
+c1ccccc1C(=O)N2CCCC(NC(C(NC(c3cc4c(cccc4)o3)=O)CC(C)C)=O)C(C2)O	765
+C1CN(CCN1C)C(=O)c2ccc3CN(c4c(cccc4)Cn23)C(c5ccc(cc5)C6CCCCC6)=O	766
+CC(C)(C)OC(CC(c1onc(n1)C(=O)N2CC(C2)N(C)C)CCCC3CCCCC3)=O	767
+c1(C)cccc(C)c1N(S(=O)(=O)C)CC(N(CC)CC)C	768
+CN(C)C(Cc1c(Sc2c[nH]c3ccccc23)cccc1)=O	769
+c12n(C)c(CN(C(=O)C=Cc3ccc(nc3)N)C)cc1ccs2	770
+C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O	771
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(=O)N(Cc3nc4CCOCc4c(O)n3)Cc5sccc5	771
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(N(CC3CCCO3)Cc4nc(O)c5c(n4)CCOC5)=O	771
+C1(C(CC)=CN(C2CC(O)C(CN(C)C(Cc3ccccc3Br)=O)O2)C(N1)=O)=O	772
+c1cc(ccc1CN(CC)C(=O)COc2ccc(cc2)CCSc3c(cccc3)C(OC)=O)Cl	773
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(C)CCOC	774
+C1CN(CCC1N(C(Nc2cc(ccn2)Oc3cc(c(NC(C4(CC4)C(Nc5ccccc5)=O)=O)cc3)F)=O)C)CC	775
+COC(OC)CN(C)C(=O)Nc1sc(C(C)Oc2ccc(Cl)cc2Cl)nn1	776
+COC(OC)CN(C)C(=O)Nc1sc(C(C)Oc2ccc(Cl)cc2Cl)nn1	777
+CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C	778
+CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C	779
+CC(C)(C)OC(N(Cc1ncccc1)C)=O	780
+C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3	781
+C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3	782
+CC(C)(C)OC(Nc1nc(C(N(C)C)=O)cs1)=O	783
+COc1nnc(-n2nc(cc2-c3ccc(cn3)C#N)C(=O)N(C)CC)cc1	784
+c1cc(ccc1)-n2nc(C(OC)=O)c(C(=O)N(C)C)n2	785
+c1cc(ccc1C#Cc2ccc(cc2)C(=O)N(Cc3cc4C(OC(C)(C)Oc4cc3)=O)CCCCCC)CCCC	786
+c1cc(ccc1C(N(C)Cc2cccc(c2)OC)=O)-c3cc(ccc3C)-c4nnc(C)o4	787
+CN(C)CC(=O)N1c2ccc([N+]([O-])=O)cc2CC1	788
+CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O	789
+CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O	790
+C1COCCN1c2cc(-c3c4c(ccc3)Sc5cc(NC(=O)CN(C)C)ccc5S4)nc(O)c2	791
+CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2	792
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C	793
+C(C)N(CC)CC1Oc2cc(S(=O)(=O)C)ccc2OC1	794
+CN(C)CCOc1ccc2n(cc(CC(N3C4CC4CC3C(=O)NCc5c(F)c(ccc5)Cl)=O)c2c1)C(=O)N	794
+FC(F)(F)CCS(=O)(=O)CCCN(CCCO)CCCCCCC1=C(CCCc2c1ccc(O)c2)c3ccccc3	794
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C	794
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCN(CC)CC	794
+c1ccccc1CCCCN(C)C	794
+CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2	795
+CC(C)(C)OC(N1CC(NC(=O)COCCN(C)C)CC1)=O	796
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3ccc(CN(C)C)nc3)=O	797
+C(C)N(CC)Cc1nc2cc(c(cc2c(c1C(C)=O)-c3cc(c(cc3)OC)OC)OC)OC	798
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2onc(n2)CN(CCOC)C)=O	799
+C1CC(CCC1N(C)Cc2cnccc2)N(c3c(c(cc(Cl)c3)C(=O)NCc4c(nn(C)c4C)OC)C)CC	800
+CN(C)Cc1cc(N)ccc1Br	801
+CN(C)Cc1cc(C#Cc2cc(cnc2)C#N)ccc1F	802
+C1CN(CCN1c2oc(nn2)C3CCC4N(C(=O)N3C4)OCc5ccccc5)C	803
+c1cc(ccc1F)S(=O)(=O)N2CCN(CC2C(=O)OCC)C	803
+c1cc(ccn1)-c2cn(nc2-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F)C5CCN(CC5)C	804
+C1CC(CCN1C)COc2cc3c(c(Oc4ccc(c(F)c4)NC(NC5CC5)=O)ccn3)cc2C#N	805
+C1CN(CC1c2nnc3n2cc(cc3)F)C	805
+C1N(CCC1COC(=O)Nc2ccccc2Br)C	805
+C1C(C(CN(C(=O)OCC)C1)CC)=O	806
+c1cc(ccc1)CN(CCc2cccnc2Cl)CCO	807
+c1ccccc1S(=O)(=O)Nc2cccc(Sc3ccc4c(CN(C(N)=N4)CCC)c3)c2	808
+CC(C)(C)[Si](C)(C)OCCN(C(C)C)C(=O)c1nc(nc(c1OCc2ccccc2)O)Cc3c(Cl)cccc3Cl	809
+O=S(=O)(N(C)C(CO)C(CC)C)c1ccc(cc1)Cl	810
+C(O)CN(C)c1n(C)ncc1[N+](=O)[O-]	811
+CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(CN3CCC(CC3)CCC)=C(Cl)C=C(C2=O)Cl	812
+C1CN(CCN1CC(COc2c(OC)cccc2)O)CC(Nc3c(cccc3C)C)=O	813
+C1C(CC1)N(CCCc2c[nH]c3c2cc(C#N)cc3)C4COc5cccc(OC)c5C4	814
+C1CN(CCC12CC(c3c(ccc(C=CC(=O)OC)c3)O2)=O)CCc4c[nH]c5ccccc45	815
+FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C	816
+n1c2cc3c(cc2oc1C)CCN(CC3)CCCl	816
+C1CN(CCN1CCN2CCOC2=O)C3c4ccccc4Sc5c(C3)cc(cc5)C	817
+C1CC(CCN1CCc2cc3N(C)C(=O)OCc3cc2OC)n4c5cc(C(=O)NC)ccc5cc4	818
+CC(C)(C)OC(=O)N1CCN(CC1)CCn2ncc3cc(ccc23)Oc4c(cc(cc4)F)C#N	819
+c1cc(ccc1)N2CCN(CC2)C(=O)NCCCCN(CCC)C3CCc4c(C3)scn4	820
+C1CN(CCC1O)CC23CC(c4ccc(cc24)Cl)c5ccccc35	821
+CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O	821
+CC(C)(CN1CCCC(CNC(=O)Nc2cc(-c3n(nnn3)C)ccc2)C1)Cc4ccc(cc4)F	821
+c1cc(ccc1Cl)C2(CCC2)CN3CC(CCCC3)CO	821
+C1CN(CCN1C)CCCOc2ccc(cc2)NC=C3c4ccccc4NC3=O	822
+C(OCC)(=O)C1CCCN(CCC2COc3c(cccc3)O2)C1	823
+C1CC(CCN1CCC2OCCc3cc(ccc23)C(=O)N)c4c5cc(ccc5n(c4)C)OC	823
+C1CN(CCN1CCC2CC(Nc3ccccc23)=O)c4cccc5c4cc(cc5)OC	823
+C1CN(CCN1CCCCc2c3cc(ccc3[nH]c2)C#N)c4sc(C#N)c(n4)C	823
+CC(C)(C)OC(=O)NC1CCCCC1CN2CC(COC)CCC2	823
+CC(C)(C)OC(=O)NC1CCN(CC1)CC2CN3C=4N2C(=O)C=CC=4N=CC3=O	823
+CC(C)(C)OC(N1CC(c2ccccc2)C(CN3CCC4(CC3)CCN(Cc5ccc(cc5)Br)C4=O)C1)=O	823
+CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O	823
+c1cc(ccc1)C(c2ccccc2)CN3CC(O)(CC3)C	823
+c1cc(ccc1C(CCCCN2CCN(C(=O)OCC)C(C)C2)c3cnccc3)F	823
+c1cc(ccc1C2(CCC2)C(N3CC(CN4CCN(CC4)c5c(OC)cccc5)CCC3)=O)Cl	823
+c1ccccc1-n2c3c(c(ncn3)NCCCN4CCN(CC4)c5cccc(Cl)c5Cl)nc2-c6ccccc6	823
+c1cc(ccc1)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN3Cc4ccccc4C(C5CCC5)(C(O)C3)O	824
+c1nc(c2n1-c3c(c(ccc3)CCN4CCN(c5c6c(cc(c5)F)nc(C)cc6)CC4C)OC2)C(=O)OCC	824
+C1CN(CCN1CCC(C(C2CCCCC2)=O)c3ccccc3)c4ccccc4OC	825
+C1CN(CCN1CCOc2cc3c(cc2)OCC(N3)=O)c4c5c(nc(cc5)C)ccc4	826
+O(C(=O)C1CN(CCSc2c(ccc(F)c2)F)CCC1CCC(=O)c3c4c(ccc(OC)c4)ncc3F)C	826
+C1CN(CCN1CC2CCC2)c3c(cc(N4CC(C)OC(C)C4)cc3)C5CCC(C)(C)CC5	827
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(OCC)=O	828
+c1cc(ccn1)C(Cn2c3c(c4cc(ccc24)C)CN(CC(O)C)CC3)O	829
+C1CN(CCN1c2c3c(nc(cc3)C)ccc2)CCc4ccc5OCC(N(C)c5c4F)=O	830
+CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)c3cc(ccc3)NC(=O)CC	830
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)CC	831
+C1C(CCCN1CC)CCn2c(OC)nc3c2nc(nc3N)OC(CCC)C	832
+c1cc(ccc1CN(C)CCc2cnn(c2)-c3nccc(C#N)c3)F	833
+C1CN(CCN1CC2(CCOCC2)c3ccc(cc3)OCCCN4CCCC4)C	834
+FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C	834
+c1cc(ccc1)CN(C2C(CN(CCc3ccc(cc3)F)CC2)C(=O)OCC)C	834
+c1cc(ccc1CN(C)CCc2cnn(c2)-c3nccc(C#N)c3)F	834
+C1CC1CN2CCc3c(ccc(Oc4ncc(-c5onc(n5)C)cc4)c3)CC2	835
+C1CC(CCN1CCc2cc3N(C)C(=O)OCc3cc2OC)n4c5cc(C(=O)NC)ccc5cc4	836
+c12c(cccc1)C(=O)N(C2=O)CCCN(C(C)C)S(=O)(=O)c3ccccc3[N+]([O-])=O	837
+O=S(=O)(N(CCCBr)CC)c1ccccc1[N+](=O)[O-]	838
+C1N(C)c2c3N(C1)C4C(CN(C(=O)OCC)CC4)c3ccc2	839
+N1(c2ccc([N+]([O-])=O)cc2OCC1)C	840
+FC1(F)CC1C2c3c(cccc3)N(CCN)CC2	841
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCN(CC3)CC(COc4cc5cccnc5cc4)O)=O	842
+n1c2c(ccc(Nc3cc(C=4CCN(C)CC=4)ncn3)c2)ccc1	843
+c1c(C=CC(N(Cc2n(c3c(cccc3)c2)C)C)=O)cccn1	844
+c12n(C)c(CN(C(=O)C=Cc3ccc(nc3)N)C)cc1ccs2	845
+c1cc(ccc1Cl)CNC(C=2C(c3cc(CN(CC(c4cccn4C)O)C)sc3N(C=2)C)=O)=O	846
+CC(C)OC(=O)c1cccnc1N2CCC(N(CC)Cc3sc(c(C)c3)C)C2	847
+FC(F)(F)c1ccc(cc1)-c2nc(CN3CCN(CC3)Cc4ccc(c(OC)c4OC)OC)c(C)n2C	848
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CC(N(Cc2nc(ccc2)C)CC)=O)c3ccc(N)nc3	849
+CC(C)(C)OC(=O)n1nc(cc1)CN2CC(C)NC(C2)C	850
+n1cccnc1CN2CC(C2)n3c(-c4ccnc(n4)N)c(nc3)-c5ccc(cc5)F	851
+CC(C)(C)OC(N1CCN(Cc2c(ccc(OS(=O)(=O)C)c2)Cl)C(C1)=O)=O	852
+CC(C)(C)OC(N1CC(C(=O)N(CC(C)C)Cc2cc3c(OCCCO3)c(Cl)c2)CC1)=O	853
+CC(C)(C)OC(=O)N(C)Cc1ccc(c(c1)F)CO	854
+CC(C)(C)OC(N(Cc1cc2c(OCO2)cc1)CCCBr)=O	855
+CC(C)(C)OC(N(Cc1cc(ccc1Oc2cc(Cl)c(cc2)Cl)Br)C)=O	856
+c1cc(ccc1F)COC(N(Cc2c(-c3cc(ccc3OC)CC(OC)=O)cc(cc2)OC)CC)=O	857
+c1cc(ccc1C#Cc2ccc(cc2)C(=O)N(Cc3cc4C(OC(C)(C)Oc4cc3)=O)CCCCCC)CCCC	858
+CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)CCCCN(Cc1ccccc1)CC(O)CCl	859
+c1cc(ccc1CN2CC(OCC2)C(C)C)Br	860
+c1cc(ccc1NC(NCC2OCCN(Cc3cccc4c3cccc4)C2)=O)Cl	861
+c1cc(ccc1)CN2CCCC(CN3CCC(CC3)C(=O)Nc4ccc(c(Cl)c4)Cl)C2	862
+c1cc(ccc1Oc2cccc(CN3CCN(CC3)C(=O)Nc4noc5c4cccc5)c2)Cl	862
+c1ccn(c1)-c2c(CN3CCC(CC3)Nc4nc(NCCCN(C)C)nc5ccccc45)cccc2	862
+FC(F)(F)c1nnc(N(C)C2CCN(CC2)Cc3ccc(cc3)F)s1	863
+FC(F)(F)CN1CCN(Cc2cccc(F)c2F)CC(NC(=O)OC(C)(C)C)C1=O	864
+CC(C)(C)OC(N(C1CN(CC1)Cc2ccc(cc2)OC)c3ncc(C=CC(=O)OCC)cc3)=O	865
+FC(F)(F)c1ccc(cc1)CN2CCC(CC2)Nc3ccc(C#N)nn3	865
+FC(F)(F)c1cc(CN2CCN(CC2)C)cc([N+](=O)[O-])c1	866
+c1cc(ccc1-c2ccc(cc2)NC(C=Cc3ccc(cc3)CN4CCC(CC4)C)=O)Cl	867
+CC(C)(C)OC(Nc1cc(C)cc(CN2CCN(CC2)C(C)=O)c1)=O	868
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(-c4ccc(cc4)CN5CC(C5)C(O)=O)n3	868
+c1cc(ccc1)-c2ccccc2CN3CCN(CC3)c4cc(ccc4)C	869
+C1CN(CCN1Cc2c(ccc([N+](=O)[O-])c2)F)C	870
+CC(C)(C)OC(=O)N1CCN(CC1C)Cc2c(cc([N+](=O)[O-])cc2)Cl	870
+FC(F)(F)c1n2nc(N3CCN(CC3)Cc4cc(Cl)ccc4)ccc2nn1	871
+O=S(=O)(N(Cc1ccc(cc1)Cl)CC(C)C)c2ccc(cc2)OC	872
+CC(C)(C)OC(COc1ccc(cc1Br)CN(S(=O)(=O)c2cc(Cl)c(cc2)F)C)=O	873
+FC(F)(F)c1ccc(Oc2cccc(CC(O)=O)c2)c(c1)CN(S(=O)(=O)c3ccc(cc3)Cl)C	873
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)N(Cc3cc(C)c(OCC(=O)OCC)cc3)CCCC	874
+C1COCCN1c2c3c(cc(s3)CN4CCN(CC4)C)nc(Cl)n2	875
+FC(F)(F)S(=O)(=O)N1CCN(CC1)Cc2cc3c(c(N4CCOCC4)nc(Cl)n3)s2	876
+CC(C)(C)OC(=O)N(Cc1cn(S(=O)(=O)c2cnccc2)c3c1ccc(C(OC)=O)c3)C	877
+c1cc(ccc1-n2cc(cc2)CN3CCC(CC3)NC(COc4cccc(Cl)c4)=O)Br	878
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cc3nc(-c4c(cccc4)[N+](=O)[O-])sc3nc2	879
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(c3s2)Oc4ccc([N+]([O-])=O)cc4F)cc1)CCOC	880
+C1CN(CCN1c2ncc(cc2)C(OCC)=O)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3	881
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc(cc2-c3ccc(cc3)Cl)F	882
+C1CC(CCN1Cc2cnccc2)n3ncc4c(nc(nc34)Cl)N5CC(C)OC(C)C5	883
+CCN(N)C(Nc1sc(C)nn1)=O	884
+Clc1cc(ccc1)NC(=O)N2Cc3c(CC2)[nH]nc3C(N(OC)CC)=O	885
+O=S(=O)(N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O)C	886
+C1CN(CCC1Oc2cc(C)c(c(C)c2)-c3cc(ccc3)COc4cc5OCC(CC(OC)=O)c5cc4)S(=O)(=O)C	887
+O=S(=O)(N1CCC(CC1)COc2c3ccccc3nc(c2)C)CCC4C(NC(N4)=O)=O	888
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(C(C)CN4CCN(CC4)S(=O)(=O)c5nn(cc5)C)nc3)ncnc12	889
+O=S(=O)(N1CC(CNC(C(CC(C)C)NC(c2cc3ccccc3s2)=O)=O)C(O)C1)c4ccc(cc4Cl)F	890
+FC(F)(F)Cc1ccc(cc1)N2C(=O)C3(CCN(CC3O)S(=O)(=O)c4c(Cl)cccc4)CC2	891
+c1cc(ccc1C(NCc2sc(cc2)S(=O)(=O)N3CCC(CC3)=O)=O)Cl	892
+c1cc(ccc1F)-n2c3C=C4C(Cc3cn2)(COCC)CN(CC4)S(=O)(=O)c5ccc(Cl)nc5	893
+c1cc(ccc1)C(c2ccc(cc2)N3CCC4CN(C)CC34)=O	894
+c1cc(ccc1-c2ccc(cc2)C#N)N3C4C(CN(C(OCc5ccccc5)=O)C4)CC3	895
+c1cc(ccc1N2CCC(CC2)C(=O)N(OC)C)Cl	896
+c1cc(ccc1C(C)C(NC2CC2)=O)C3CCN(CC3)c4ccc(cc4C#N)OCC5CC5	897
+CC(C)(C)OC(N1CCCC2C1CN(C2)c3c(cc4C(=O)C(=CN(C5C(F)C5)c4c3Cl)C(O)=O)F)=O	898
+C1CCC(C1)n2c3c(c4cnc(Nc5nnc(cc5)N6CCC7(CC6)OCC(NC7)=O)nc24)ccnc3	899
+c1ccccc1-c2nnc(N3CC4CCC(C3)N4C)cc2	899
+C1CC(CCN1c2c(cc3C(C(=CN(c3n2)C4CC4)C(O)=O)=O)F)Nc5ccc(N6C(=O)OC(CNC(C)=O)C6)cc5F	900
+C1C(CN1c2ccc3c(cc(cc3)F)n2)c4c(-c5cc(c(cc5)C(NC)=O)F)nccn4	901
+FC(F)(F)c1c(CNC(=O)C2CCN(CC2)c3ncnc(Cl)n3)cccc1	902
+C1CC(CCN1c2ncccc2Br)Nc3ccc(cc3)F	903
+C1CN(CCN1)c2c3ccccc3c([N+]([O-])=O)cn2	904
+FC(F)(F)c1ccnc(N2C3C(C(O)(c4ccccc4)CC2)CCCC3)c1	905
+CC(C)(C)OC(N1CCN(CC1)c2ccccc2N(S(=O)(=O)C)C)=O	906
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccccc2N(S(=O)(=O)C)C	907
+C1CN(CCN1c2ccnc3c2cccc3OC)CCN(C4Cc5cc(ccc5CC4)O)CCC	908
+C1C(CN1c2ncc3ccc(Cl)cc3n2)c4c(nccn4)-c5cc(c(cc5)C(NC)=O)F	909
+c1nc(ncc1F)N2CCN3C(CCC(C3)Cn4ccc5c4ccc(F)c5)C2	910
+c1cc(ccc1)C(C(OC)=O)C2CCN(CC2)c3ncccn3	911
+C1CC(CCN1c2ncncc2)C(N3CCN(CC3)Cc4ccccc4)=O	912
+C1C2CN(CC2CN1c3cc(N(C)C)ncn3)C(=O)c4c(cc(OC)cc4)-n5nccn5	913
+C1CN(CCN1c2ncnc3c2C(C)CC3O)C(N(Cc4ccc(cc4)Cl)CCN(CC)CC)=O	914
+c1(c2OCOc2ccc1Cl)N(C)c3nc(Cl)ncc3	915
+C1CN(CCC1Oc2sc3cc(ccc3n2)Br)c4nnc(C)s4	916
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(cc(c(c2OC)N)Cl)F	917
+CC(C)N1c2cccc(c2NC1=O)F	918
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(Nc3c2cc(C4CC4)cc3F)=O	919
+CCN1C(Nc2ccccc12)=O	919
+FC1(F)C(C2CCN3CCNCc4c3c2ccc4)C1	920
+FC(F)(C)COc1ncc(cc1C)CN2Cc3c(ccnc3Cl)C2=O	921
+c12c(nc3ccc(cc3c1Cl)C#N)CN(C2=O)CC	922
+CC(C)(C)OC(=O)NCCN1C(=O)c2c(C1)cc(cc2)Br	923
+Clc1c([N+]([O-])=O)cc2CN(C(c2c1)=O)C	924
+c1cc(ccc1OC)CN2C(c3c(cccc3C2)I)=O	924
+C1(=O)N(CC)NCN1c2sc(C)nn2	925
+C1(=O)N(CC)NCN1c2sc(C)nn2	926
+C1CC(CCC1)c2sc(nn2)N3C(=O)N(C)NC3	927
+CC(C)(C)OC(NC(c1ncc(F)cc1F)C)=O	928
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(C3(C(C)C)CC(CC3)NC4C(COCC4)C)=O	929
+C1CCCC1NCCNC2CCC(CC2)CC(=O)NC3Cc4c(c(C(O)=O)ccc4)OB3O	930
+c1ccccc1COC(NC2CCN(C3CCC(NC(C)C)CC3NC(C)=O)C2=O)=O	930
+C1CC(CCN1c2ccc(cc2)C(=O)O)NCC(O)c3cc(NS(=O)(=O)C)c(O)cc3	931
+c1cc(ccc1CCC(NCCc2cc(OC)cc(OC)c2)=O)F	932
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCNC(=O)C)OC)OC	933
+c1cc(ccc1C(C)CNC(C)=O)C#Cc2ccc(cc2)OCCC	934
+c1cc(ccc1Br)C(CC(NC)=O)c2ccc(cc2)Cl	935
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)(NCc4ccccc4)C(=O)NC(C)C	936
+c1cc(ccc1-c2c(C#N)c3c(n2CC)cc(cc3)OC)OCCNC(=O)C	937
+c1cc(ccc1F)Cc2cnc3c(c2)N(C(C(C(=O)NCCOCC)=C3O)=O)CCNC(C)=O	938
+Fc1cc(cc(F)c1C)CCC(NCCCc2cc(C)nn2CC)=O	939
+C1(c2noc(-c3cc(Cl)ccc3)c2)COCCN1C(=S)NC	940
+S(c1c(C(=O)NC)cc(cc1)C)c2csc3ccccc23	941
+c1cc(ccc1)COc2cc(c(Br)cc2C(=O)NCCCOC)OCc3ccccc3	942
+C(NCCCSc1ncco1)(NCC)=C[N+]([O-])=O	943
+FC(F)(F)C(=O)NCCc1c(c(ccc1)Br)CC	944
+C1CCCC1Oc2cc(c(F)cc2Cl)NC(=O)C=3CCCCC=3C(NCCOC)=O	945
+c12c(C(=O)N(C1=O)CCN3C(=O)C(C(NCCOCC)=O)=C(O)c4c3cc(cn4)Cc5ccc(cc5)F)cccc2	946
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3CCCC(c4ccccc34)NC(CN(C)C)=O	947
+FC(F)(F)c1ccc(c(Cl)n1)C=CC(NCc2cc(F)c(cc2)NS(=O)(=O)C)=O	948
+C1CC(CCC1NC(C2CC2)=O)Oc3ccc(cc3)C(OCC)=O	949
+c1ccccc1C(C(NC(c2ccc(cc2)OCC(C)CCC)CN=[N+]=[N-])=O)C	950
+c1ccccc1CC(NC(=O)Cc2c3c(ccc(O)c3)[nH]c2)c4n(Cc5ccccc5OC)ccn4	950
+ClC1(Cl)C(C(NCC)=O)(C)C1	951
+FC(F)(F)COc1cnc(C(C)NC(Cc2ccc(cc2)-c3c(C4CC4)nccn3)=O)cc1	952
+CC(C)CCNC(CN1C=CC=C(C1=O)NC(=O)OCc2ccccc2)=O	953
+CC(C)(C)NC(=O)C1(CCC1)c2cc3c(nc(nc3C(N4Cc5ccccc5C4)=O)N)cc2	954
+CC(C)(C)OC(N(CC(NCC)=O)CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F)=O	954
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(c3ccc(c(c3)F)CNS(=O)(=O)C)C	954
+N(C)C(CC1N(C(=O)c2cc3NC(=O)COc3cc2)c4ccc(cc4OC1)Br)=O	954
+O=S(=O)(Nc1ccc2COB(c2c1)O)c3ccc(cc3CC(=O)NCC)OC	954
+c1c(F)c(c(cc1)F)Cc2c(N(CC(=O)NCC)S(=O)(=O)c3cc(OC)c(OC)cc3)c(OC)ccc2	954
+c1cc(ccc1S(=O)(=O)Nc2ccccc2Oc3ccc(Cl)cc3Cl)C(NCC(NCCCCC(N)C(OC)=O)=O)=O	954
+CC(C)C(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	955
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3c4ccccc4C(NC(=O)CCl)CCC3	956
+c1ccccc1-c2ccc(cc2)C(NC(=O)CNC(NCCCNc3ccccn3)=O)CC#N	957
+c1cc(ccc1)COC(N2CC(C(CC)C2)Nc3c(cnn4c3cc(c4)-c5cnc(cc5)CNC(COC)=O)C(=O)N)=O	958
+CC(C)(C)OC(NC(C(NCc1nc(c2c(cccc2)n1)N(c3ccc(cc3)OC)C)=O)C)=O	959
+c1cc(ccc1)COC(=O)NC(CCCCCC(NC)=O)c2oc(cn2)-c3cc4c(cccc4)nc3OC	960
+FC(F)(F)c1c(Nc2ccc(cc2)CNC(=O)C3(CCOC3)NC(=O)c4cc(cnc4)N)ccc(OC)c1	961
+C(N(C)c1n[nH]c2ccc([N+]([O-])=O)cc12)C(NC)=O	962
+C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O	963
+C1CC(CCC1O)Nc2nc3c(c(ccc3cn2)C)OCC(=O)NC	964
+CC(C)(C)OC(=O)N1CCC(C(O)C1)NC(=O)C2(CCCCC2)NC(=O)c3ccco3	964
+c1cc(ccc1OC)Cc2nc(O)c(C(C)NC(C(CCCc3ccccc3)C(C)O)=O)nn2	964
+CC(C)(C)C1CCC(CC1)C(NC(CC)c2nnc(-c3cc(ccc3)[N+](=O)[O-])nc2O)=O	965
+C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O	966
+CC(C)(C)OC(=O)N1CCC(C(O)C1)NC(=O)C2(CCCCC2)NC(=O)c3ccco3	966
+C1CC2(CCN1C(NCC)=O)Oc3ccc(C=CC(=O)OC)cc3C(C2)=O	967
+c1cc(ccc1-n2c(nc3c2ncnc3NC4CCCN(C(NCC)=O)C4)-c5c(cccc5)Cl)Cl	968
+c1ccccc1COc2cc(-c3c4c(N)ncnc4n(C5CC(C5)CNC(NCCCC)=O)c3)ccc2	969
+CC1CN(CC(C)O1)CCNC(=O)Nc2nc3c(cc(cc3)SC#N)s2	970
+FC(F)(F)c1nc(c(cc1)CNC(Nc2cc3CCCc3nc2)=O)N4CCC(CC4)C	971
+c1cc(ccc1F)-c2c3c(ncnc3sc2)OCCCOc4cc(ccc4)NC(=O)NCC	972
+C1CN(CCN1c2nccc(NC(=O)NCCC)c2)CC	973
+c1(NC(NCCCCC)=O)cc2C(=O)N(Cc3ccc(c(c3)Cl)Cl)C=Nc2cc1	973
+c1(cc2c(ccc(c2)NC(NCC)=O)nc1O)C(=O)O	973
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)NC(=O)NC)C	973
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(=O)OC	974
+CC(C)(C)OC(=O)NC(C)c1ccc(C(F)(F)F)nc1	975
+CC(C)(C)OC(=O)NC(c1cccc(c1)[N+](=O)[O-])C	976
+CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O	976
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	977
+c1cc(ccc1)COC(=O)NC(c2ccccc2OC)CCC=C	977
+C1CCCCCN1CCN2CCC(CC2)NC(c3[nH]c4cccc(OCc5cocc5)c4c3)=O	978
+CC(C)(C)c1[nH]nc(c1)C(=O)NC2CCCN(c3nc(Nc4ccc(cc4)N(CC)CC)c(C(=O)N)cc3)C2	979
+CC(C)(C)NC(c1cc2c([nH]1)ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)=O	980
+Cc1cc(cc(C)c1O)CNC(c2sc(c3c2CC4C(C)(C)C34)C)=O	981
+FC(F)(F)c1ccc(cc1)-c2ncc(C(=O)NCc3cccc(c3)OC(C)(C)C(OCC)=O)c(C4CC4)n2	982
+O(c1ccn2c(c1)nc(C)c2C(=O)NC)C	983
+C1CC(CCO1)CC(C(Nc2sc(C(=O)NC)cn2)=O)c3ccc(cc3)S(=O)(=O)C	984
+C1CN(CCC1NC(=O)c2c(Cl)cc3c(NC(CS3)=O)n2)CCSc4cnc5c(cc(cc5)OC)c4	985
+CC(C)(C)C(NC(c1nn(c2C3CC3Cc12)-c4cc(Br)ccn4)=O)CO	986
+Fc1cc(c(C)cc1F)C(=O)Nc2[nH]nc(C(NCc3oc(nc3C(=O)OCC)C)=O)c2	987
+CC(C)(C)NC(=O)c1cnn2ccc(nc12)N3CCCC3c4cc(ccc4F)F	988
+[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12	989
+CC(C)C1C2C3C(C1CC2)CCCC3NC(=O)c4c(F)n(nc4C(F)F)C	990
+FC(F)(F)C(CC(C)(C)c1c(OC)ccc(F)c1)(CNC(=O)c2cnn(c2N)-c3ccc(cc3F)F)O	991
+FC(F)(F)c1cc(n(n1)-c2c(cccn2)Cl)C(Nc3c(C(=O)NC)cc4c(nsn4)c3Cl)=O	992
+C1CC(CCN1CC(c2ccc3c(COC3=O)c2C)O)(C)NC(c4ccc(-n5nnnc5)nc4)=O	993
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(cn3)C(=O)NC(CC)CO)F	993
+c1ccccc1CC(NC(=O)c2cccnc2-n3cc4ccccc4n3)C(O)C(=O)OCC	994
+[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12	995
+C1CN(CCN1c2ccc(C(NC)=O)cn2)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3	996
+C1CN(CCO1)Cc2ccn(-c3c(C(=O)NC(Cc4ccccc4)C(C(=O)N)O)cccn3)n2	996
+CC(C)(c1ccc(cc1)CNC(=O)c2c(Oc3ccc4nsnc4c3)nccc2)O	996
+c1cc(ccc1)C(CC)NC(c2c3n(cc2)CCOC3)=O	996
+Clc1ccc(c(F)c1)-c2c(F)cncc2C(=O)NC	997
+c1cc(ccc1-c2oc3cc(c(Br)cc3c2C(=O)NC)N(C)S(=O)(=O)c4ccccc4)F	998
+c1cc(ccc1F)-c2oc3c(c4c(OC(C)(C)C4)cc3)c2C(=O)NC	998
+FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(Oc3cc(cnc3N)C(NC)=O)C2)=O	999
+FC(F)(F)C1(c2c(N(C(=O)N1)Cc3ccc(cc3)OC)ccc(c2)Br)CNC(c4ccc(cc4)F)=O	1000
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(Cl)cc(cc2)Cl)=O)N3CCOCC3	1001
+c1cc(ccc1-c2[nH]c(-c3ccccn3)c(-c4ccc5c(c4)OCO5)n2)C(NC)=O	1002
+c1cc(ccc1C#CCc2ccc3C(C)(C)CCC(C)(C)c3c2)C(=O)NCC	1002
+c1cc(ccc1CCCCOCCCCBr)C(NCc2c(CC)nc3n(ncc3c2NC4CCN(CC4)C(=O)N)CC)=O	1002
+c1ccccc1C(c2ccc(cc2)C(=O)NCCCCCCCCCCC(O)=O)=O	1002
+CC(C)(C)OC(=O)COc1c(Cl)ccc(c1)C(NCC(O)CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3C)=O	1003
+Cc1nc(C(N2CC3C(C2CNC(=O)c4c5C=CCOc5ccc4)C3)=O)c(s1)-c6cccc(c6)C	1003
+c1c(cc(cc1)OC)CCNC(c2cc(cc(c2)-c3ccccc3OC)-n4nnnc4)=O	1003
+c1cc(ccc1)COC(N2CCC(CC2)n3ccc4ccc(cc34)C(=O)NC)=O	1003
+c1cc(ccc1C)-c2cc(cc(-n3nnnc3C)c2)C(=O)NC(COC)C	1003
+C1CC(CCC1(C)C)NC(c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)=O	1004
+CC(C)(C)OC(=O)N(C)C(CNC(=O)c1cccc(C(OCCNC(OC)=O)c2cc(Cl)ccc2)c1)CC3CCCOC3	1005
+CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12	1005
+c1cc(ccc1C)-c2cc(C(NC(c3cnc(cc3)OC)CO)=O)cc(C(=O)N(CC(C)C)C)c2	1005
+C1CC(CCN1C(=O)OCC)NC(=O)c2c(Oc3c(cc(Cl)cc3)Cl)cccc2	1006
+c12ccc(cc1n[nH]c2)C(NC)=O	1006
+CC(C)(C)OC(N1CC(CNC(=O)c2ccccc2)CC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C1)=O	1007
+CC(C)(C)OC(N1CCc2n(CCNC(=O)c3ccccc3)c4ccccc4c2CC1)=O	1007
+c1cc(ccc1CCCCOCCCCBr)C(NCc2c(CC)nc3n(ncc3c2NC4CCN(CC4)C(=O)N)CC)=O	1007
+FC(F)(F)C(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)(CNC(=O)c3c(cccc3F)Cl)O	1008
+CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCCNC(=O)c3cccc(F)c3)C4CCC4	1009
+C1CC1(c2ccc3c(cccn3)c2)c4nnc5ncc(-c6ccc(c(F)c6)C(NCC)=O)nn45	1010
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	1010
+CC(C)(C)OC(=O)NCC(c1cc(cc(Br)c1)F)NC(c2c(F)cc(-c3c(ncc(C4CCOCC4)n3)N)cc2)=O	1010
+CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1	1010
+CC(C)(C)OC(N(c1ccc(cc1)C2CCCCC2)Cc3ccc(cc3)C(=O)NCC(C(=O)OC)O)=O	1010
+CC(C)CCNC(=O)n1c2c(cc(Oc3cc(ncc3)N)cc2)cc1	1011
+o1c(-c2csc(c2)Cl)cc(C3CC4CC4N3C(=S)NC)n1	1012
+C1C(CO1)(C(c2ccc(C)o2)NC3=C(Nc4cccc5NC(=O)Oc45)C(=O)C3=O)C	1013
+c1cc(ccc1C2CC(CNCCO)CCC2)Cl	1014
+CCC1(CC)c2c(N(CCC(C)(C)NCC(c3c4ccc(nc4cc(OCc5ccccc5)c3)O)O)C(=O)O1)cccc2	1015
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F	1016
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br	1017
+c1ccccc1C(c2ccccc2)N3CC(C3)(NCc4ccccc4)CNC(C)C	1017
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br	1018
+c1ccccc1C(c2cc(OC)cc3c2cc[nH]3)CCNC	1018
+C1CC(CCN1c2ccccc2OC)CNCC3COc4ccccc4O3	1019
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(-n4nnc(CCNCCC)c4)c3)ccc1F)F	1019
+c1cc(ccc1CCNCCCOC)-c2nc(c(nc2)N)C(=O)Nc3cccnc3	1019
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F	1019
+c1cc(ccc1CCNCCCOC)-c2nc(c(nc2)N)C(=O)Nc3cccnc3	1020
+C(CC(NCCC)CC(=O)N)CCCCCCCCCCC	1021
+C1CCCCC1C2(COC2)CNC	1022
+C1CN(CCC1NCc2cc(c(cn2)OC)C)CCN3c4c(C=CC3=O)ncc(c4)OC	1023
+C1CN(CCC12CC(C(C2)NCc3nc4c(SCC(N4)=O)cc3)O)c5ccnc6ccc(nc56)OC	1024
+c1cc(ccc1)CNCc2nc(nc(N3CCOCC3)c2)Cl	1025
+O=S(=O)(n1cc(c(F)c1-c2ccccc2)CNC)c3cnccc3	1026
+FC(F)(F)c1cc(ccc1CNC2CCN(CC2)c3c4c(cccc4)c(nn3)-c5ccnn5C)F	1027
+C1CC(CCC1)N(C)C(CCNCc2cc(ccc2[N+](=O)[O-])C(=O)c3ccccc3)=O	1028
+O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCNCc1ccccc1	1029
+c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1	1030
+c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1	1031
+c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2	1032
+c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2	1033
+c1cc(ccc1CNC)C(=O)c2ccccc2	1034
+FC(F)(F)c1c(ccc(c1)C(=O)OC)CNC	1035
+c1ccccc1SC(CNC=O)c2c3ccccc3ccc2OC	1036
+c1cc(ccc1)C(C(c2cccc3ccccc23)O)CNC	1037
+FC(F)(F)c1cc(n(n1)C)Oc2cccc(CNC)n2	1038
+c1cc(ccc1)CN2CC(NC)C(c3cc(c(Cl)cc3)Cl)C2	1039
+c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC	1040
+C1CNCCC1=C(c2cccnc2)c3ccc(cc3)F	1041
+c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC	1042
+C1CCCC1N2C(CC)C(=O)N(C)c3cnc(nc23)-c4c(cncc4)CNS(=O)(=O)C	1043
+C1CCCCC1S(=O)(=O)NCCc2cc(cc(CCC(OCC)=O)c2)Cc3cccnc3	1044
+c1cc(ccc1)CS(=O)(=O)NC2CCC(CC2)c3nc(c([nH]3)-c4cc5OCOc5cc4)-c6nc(ccc6)C	1045
+O=S(=O)(c1cccc(-c2nc(nc(NCCc3ccc(cc3)OC)c2)OC)c1)NCC	1046
+CC1(C)C(N(c2ccc(OCCCNS(=O)(=O)c3ccccc3[N+]([O-])=O)cc2N(C)C1=O)CC)=O	1047
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCC(O)CN2c3ccccc3CCc4c2cccc4	1048
+O=S(=O)(c1ccc(cc1)O)NCC(N2CCN(CC2)C(OCc3ccccc3)=O)C(OC)=O	1049
+FC(F)(CNc1ccc(C#N)c(c1F)CC(=O)OCC)c2ccc(cn2)C	1050
+c1cc(ccc1-c2cnnc(NCCO)c2)F	1051
+CC(C)(C)OC(=O)NC1C(Nc2c(cc(C#N)c(Cl)n2)F)CCN(C(C)=O)C1	1052
+Clc1ccc(c(Cl)c1)-c2c(c(NC(CCC)C)ncc2)[N+]([O-])=O	1053
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCNc4ccc(-n5ccnn5)cn4)C3	1054
+CC(C)(C)OC(NCCC(c1cc(Cl)ccc1)Nc2nc(-c3n4ccnc(c4nc3)NCCN5CCOCC5)ccc2)=O	1055
+C1CN(CCO1)c2ccc3N(C(=O)C)C(C(C(Nc4ncc(cc4)C#N)c3c2)C)C5CC5	1056
+n1c(-c2ncccc2)c(cc3ccsc13)C(C)Nc4c5[nH]cnc5ncn4	1057
+CCNc1c(C#N)c(O)nc(C)c1	1058
+CC(C)c1nc(O)c(c(NCC)c1)[N+](=O)[O-]	1059
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nc(C)no4)c2-c5ncccc5)F	1060
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nnc(o4)C)c2-c5ncccc5)F	1060
+CC(C)(Nc1scc(n1)-c2ccc(Br)cc2F)CO	1061
+CC(C)(C)OC(N1C(CCC(C1)C)CNc2ncc(cn2)C(F)(F)F)=O	1062
+C1CC(CCC1C(=O)OCC)Nc2nccc(-n3ccc4c3cccc4Br)n2	1063
+C1CC1c2cc([nH]n2)Nc3c(Cl)cnc(NC(c4ccc(F)cn4)C)n3	1064
+CC(C)(C)OC(=O)NCCC(c1ccccc1)Nc2nccc(n2)-c3n[nH]c4nc(NCCN5CCOCC5)ncc34	1065
+FC(F)(F)Cc1sc2ncnc(NCC3CCN(CC3)C(=O)OC(C)(C)C)c2c1	1066
+C1CC(CCN1Cc2ccc(OC)c(OCC)c2)Nc3nc(nc(c3)C)N	1067
+C1CC1N2C(C(Nc3c(-c4nc(on4)C)c(ncn3)N)CC)=Nc5cccc(Cl)c5C2=O	1067
+FC(F)(F)C(C1CCC(CC1)Nc2ncnc(c2Cl)CC)O	1068
+c1ccccc1-c2c(nc(SC)nc2)NC	1069
+CC(C)(C)OC(Nc1c2c(ncn1)n(-c3ccc(cc3)NC)nc2I)=O	1070
+CC(C)(C)[Si](C)(C)OCc1n(C)c2c(cc3C(CCCCCc3c2)=NCc4ccc(OC)cc4OC)c1	1071
+O=S(=O)(c1c([N+](=O)[O-])cccc1)Nc2ccccc2C=NC(C)CO	1072
+O=C(NNc1ccc(cn1)F)N2C(C)CCCC2	1073
+c1(C(=O)NCC2N(CC2)C(=O)CO)cc(F)c(nc1NCCc3cccc(F)c3)-c4cnn(C)c4	1074
+FC(F)(F)c1ccc(cc1)-c2nnc(N3CCN(C(C)C3)C(N4CCC(CC4)(F)F)=O)c5c2ccnc5	1075
+FC(F)(F)c1ccc(cc1)NC(N2CCCC2c3c(Cc4ccc(cc4)Cl)c(C)no3)=O	1076
+FC(F)(F)C(=O)NCC1N(C(c2c(sc(N)n2)-c3cc(F)ccc3)=O)C4CCC1C4	1077
+c1cc(ccc1-c2ccc(cc2)C3C(CCN4C(C)CCC4)C3)C#N	1078
+C1(N(CCOC1)Cc2cc(c(Br)cc2F)F)C	1079
+CC1(C)COCC(C)(C)N1N	1080
+CC1(C)N(N)CCN(C1)S(=O)(=O)C	1081
+CC(C)(C)OC(=O)N(C(C)C(NC(C(=O)N1CCC2N(CC(C(=O)OC)C12)S(=O)(=O)C)C3CCCCC3)=O)C	1082
+C1C2CC3CC1CC(C2)(C3)NC(N4CC5(C4)CCN5S(=O)(=O)c6ccc(cc6)Cl)=O	1083
+O(CC)c1c(c(ccc1)F)C2CC(C(=O)N2Cc3cccc(-c4nc(Cl)cs4)c3)C	1084
+FC(F)C1(c2cccc(c2F)F)COCC(=N1)N	1085
+c1ccccc1COC(N2CCCC(NC(c3ccccn3)=O)C(O)C2)=O	1086
+C1CN(CCN1c2ccc(cc2F)C(C)OC)C(=O)c3cc(S(=O)(=O)C)ccc3N4CCCCC4	1087
+O1CCOC12CCC(CC2)(OC)c3c(Cl)cccn3	1088
+c1ccccc1Cc2cccc(C(=N)OC)n2	1089
+c1ccccc1CC(C(OC)=O)O	1090
+c1cc(ccc1F)C(c2ccc(cc2)F)(CCCBr)C(OCC)=O	1091
+O(C)C(Cc1cc(c(Cl)cc1Cl)OC)=O	1092
+C(OCCOCC=CCBr)COCCOCCC(=O)OC	1093
+c1ccccc1COc2ccc3n(ccc3c2)CCC(OC)=O	1094
+CC1(C)C2CC1C(C(C(OC)=O)C2)C	1095
+c1cc(ccc1F)N2CCN(CC2)C(OCC3CN(C)CCO3)=O	1096
+c1cc(ccc1N2CCN(CC2)C(OCCN(C)C)=O)[N+]([O-])=O	1096
+FC(F)(F)C(C)OC(N1CCC(CC1)C2(Oc3cnc(cc3C2)-c4ccc(cc4)S(=O)(=O)C)C)=O	1097
+C1CN(CCO1)C(=O)OCc2cnc(C)cc2	1098
+c1cc(ccc1-c2nocc2NC(=O)OC(c3c(cccc3)Cl)C)CCCl	1099
+C(C)OC(c1c(O)c2c(c(C)cc(OC)c2)nc1)=O	1100
+CC1(C)CCSc2ccc(cc12)C#Cc3ncc(cc3)C(=O)OCC	1101
+C(C)C(CC)CC(OC(c1ccc(cc1)OC(=O)C)=O)C	1102
+S1c2cccc(c2C(c3c1ccc(C)c3)=O)C(=O)OCCCCCCCCCCCC	1102
+c1(nccc(c1)C(=O)OC)N2NC=C(c3cnccc3)C2=O	1103
+C1CCC(C1)C2N(c3ccc(C#N)c(Cl)c3)N=C4C2CCc5cc(C(OCCCCCCC)=O)ccc45	1104
+C1(=O)c2ccc(cc2Sc3ccc(cc13)C)C(=O)OC	1105
+C1COC(O1)(C=CC2C3C(OC(=O)C3)CC2OC4OCCCC4)COc5cc6c(cccc6)cc5	1106
+Clc1cccc(OCC(F)CCC2C(CC3C2CC(O3)=O)OC4OCCCC4)c1	1107
+c1ccccc1C2NCCOC2	1108
+c1cc(ccc1CCCOC)Cl	1109
+C1=CC(Br)=CC(N1CC(COC)C)=O	1110
+O(CCc1cc([N+]([O-])=O)ccc1Br)C	1110
+CN(C)c1cc(COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4)ccc1	1111
+CC(C)(C)OC(N1CCCC(Cc2c(F)cccc2)(C1)COC)=O	1112
+C(OCc1ncccc1)c2cc(ccc2)-n3cnc(C(=O)OCC)c3	1113
+c1(cccnc1Br)COC	1114
+c1ccccc1COC(N(C)CC(=O)N(C)c2ccc(cc2)COC)=O	1115
+c1ccccc1CN(Cc2ccccc2)c3c(COC)c([N+](=O)[O-])ccc3	1116
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(cc(c3)Br)F)=O	1117
+c1(COC)c(F)ccc([N+]([O-])=O)c1	1118
+c1ccccc1C(c2ccc(cc2)COCCN(CC)c3ccccc3)=O	1119
+c1cc(ccc1)COC(=O)N2CC(COC)(CC2)F	1120
+c1cc(ccc1N(C)CCOC)C(OCC)=O	1121
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(CC(CC2)OS(=O)(=O)C)F	1122
+CC(C)C(C(C)C)(OOC(CN=[N+]=[N-])COS(=O)(=O)C)P(O)(O)=O	1122
+CC(C)(OC1OCCCC1)c2c(cccc2)CCC(c3cc(ccc3)C=Cc4nc5c(ccc(Cl)c5)cc4)OS(=O)(=O)C	1123
+O=S(=O)(OCCc1ccc(cc1)CCCCCCCC)C	1124
+c1cc(ccc1NC(=O)C)CCCCOS(=O)(=O)c2ccc(cc2)C	1125
+O=S(=O)(C)OCCc1cnn(c1)-c2nccc(C#N)c2	1126
+CC(C)(C)c1c(cc([N+](=O)[O-])cc1)OC	1127
+C(CCN(C)c1c(cnc(Cl)n1)F)Oc2cc3c(n(CC(OC)=O)cc3)cc2	1128
+C1CC(CCC1C2CCC(CC2)COc3cccc(F)c3F)C=C	1129
+c12c(cccc1)ccc(c2)OCCCCCCCCCl	1129
+CC(C)N1N=C(Br)c2ccc(OC)cc2C1=O	1130
+CC(C)N1N=C(Br)c2ccc(OC)cc2C1=O	1131
+FC(F)(F)Cn1nc(c(c1)-c2ccncc2)-c3ccc(cc3)OCc4nc5c(cccc5)n4CF	1132
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc3CC4(CCN(CC4)Cc5ccccc5)Cc3c2)=O	1133
+C1CC(CCN1C(C)C)Oc2nc3CCN(Cc3cc2)Cc4ccccc4	1134
+FC(F)(F)C(Oc1nncc2cc(Br)ccc12)C	1135
+c1(-c2cc(cc(-c3ncccc3)n2)OCC)ncccc1	1136
+c12c3c(ccc1cccn2)c(cc(C)n3)OCC	1136
+C1CC1CCNc2nc3c(c(N)n2)nc(OC)n3C4CCCCO4	1137
+c1cc(ccc1-c2ccc3c(c(OCC)ncn3)c2)F	1138
+C(C1CC1c2ncc(OC)cc2)Oc3nc(C)ncc3Br	1139
+c1cc(ccc1)CN2CC(OCC2)C3(OCCO3)C	1140
+O=S(=O)(C)OCCC1(C(=O)N2CC=CC(C(OC)=O)N2C1=O)C	1141
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)C)CC1C(=O)OC	1142
+CC(C)(C)OC(N1CC(c2ccccc2)CC1COS(=O)(=O)C)=O	1143
+FC(F)(F)c1cccc(N2C(c3c(non3)NCCOS(=O)(=O)C)=NOC2=O)c1	1143
+CC(C)(C)OC(=O)C(C(CCc1ccc(cc1)I)OCc2ccc(cc2)OC)CCOS(=O)(=O)C	1144
+O=S(=O)(OCCN1C(c2cc(Br)sc2C1(C)C)=O)C	1144
+O=S(=O)(OCCOCCCCCCN1CC(OC1=O)c2cc3c(cc2)OC(C)(C)OC3)C	1144
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCOS(=O)(=O)C	1144
+c1cc(ccc1C(CCOS(=O)(=O)C)n2cncc2)C#N	1144
+O=S(=O)(C)OCCCn1cnc2ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)cc12	1145
+O=S(=O)(OCCC1n2cc(I)cc2C(=O)NC1)C	1146
+c1(cc(cc(F)c1)C(C2CCN(CC2)S(=O)(=O)C)CC(OC(C)C)=O)F	1147
+c1cc(ccc1F)C(NC2CCN(CC2)S(=O)(=O)C)=O	1148
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(ccc(F)c2Cl)F)=O)C3CCCCN3C	1149
+FC(F)(F)c1cc(ccc1C#N)-n2nnnc2CN3CCN(CC3)S(=O)(=O)CCC	1149
+C1CC(CCN1S(=O)(=O)CC)Nc2nc(N)c(C(=O)c3c(F)cccc3)cc2	1150
+C1CN(CCC1c2c3cc(-c4c(cc(F)cc4)F)cc(c3[nH]c2)C(N)=O)S(=O)(=O)CC	1150
+FC(F)(F)COc1ccc(cc1)N2CCN(CC2)S(=O)(=O)C	1150
+O=S(=O)(N1CC(Nc2nc(-c3cnc4ccc(cn34)C#N)ncc2)CCC1)CC	1150
+CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCN(CC3)S(=O)(=O)CC)cn2)c4ccccc14	1151
+C1CN(CCC1Oc2sc3cc(C4=CCN(S(=O)(=O)CCC(=O)OC)CC4)ccc3n2)c5nnc(C)s5	1152
+O=S(=O)(CC)N1CC=C(c2nc(c(N)nc2)-c3noc(n3)-c4ccccc4)CC1	1153
+CC(C)(C)OC(=O)NC(CCNS(=O)(=O)C)c1ccc(cc1)Cl	1154
+CC(C)(C)OC(NC1CCc2c(cc(cc2)CNS(=O)(=O)CCC)C1Cc3ccccc3)=O	1155
+C1CC(CCC1NC(OCc2ccccc2)=O)CNS(=O)(=O)C(C)C	1156
+O=S(=O)(Nc1ccc(C(C)=O)cc1Sc2ccc(F)cc2F)C	1157
+c1ccccc1P(c2ccccc2)(=O)c3ccc4c(cccc4)c3-c5c6c(ccc5NS(=O)(=O)C)cccc6	1158
+C1CC1(CC=C)S(=O)(=O)Nc2c(c(F)c(cc2)F)Nc3c(cc(I)cc3)F	1159
+C1(c2ccccc2C(=O)N1CCCOc3ccc(cc3)NS(=O)(=O)C)=O	1160
+O=S(=O)(C)OCCOc1ccc(-c2ccccc2F)nc1	1161
+C1CCCCC1C(c2n(-c3ccc(cc3)Cl)nc4CCCc24)COS(=O)(=O)C	1162
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COS(=O)(=O)C)=O	1163
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COS(=O)(=O)C)=O	1164
+FC(F)(F)c1c(c(Cl)ccc1)COS(=O)(=O)C	1165
+FC(F)(F)c1cc(c(COS(=O)(=O)C)cc1)Oc2cc(C#N)ccc2	1166
+O=S(=O)(C)OCCOc1ccc2c(ccnc2c1)-c3c4n(nc3-c5ccccn5)CCC4	1167
+c1cc(ccc1)COc2ccccc2OCCOS(=O)(=O)C	1167
+O=S(=O)(CC)Oc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C	1168
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(CSC)C3CCCCC3	1169
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(CSC)C3CCCCC3	1170
+c1cc(ccc1O)CSCCC(=O)OCC	1171
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)c2c(ccc(C(OC)=O)n2)F	1172
+CC(C)(C)[Si](C)(C)OCCOCc1nccs1	1173
+CC(C)(C)[Si](C)(C)OCCCc1ncsc1	1174
+CC(C)(C)[Si](C)(C)OCc1[nH]c2ncccc2c1	1175
+CC(C)(C)[Si](C)(C)OCc1n(c2ccc(cc2c1)Cl)CCCSC	1175
+CC(C)(C)[Si](C)(C)OCc1cc(Cl)ncc1	1176
+CC(C)(C)[Si](C)(C)OCCOCc1nccs1	1177
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)Cc2c(sc(c2)Br)Cl	1178
+CC(C)[Si](C(C)C)(C(C)C)OC1=CCC(CC1)c2c(cc(c(F)c2)F)F	1179
+CC(C)[Si](C(C)C)(C(C)C)OCC(COCc1ccc(cc1)Br)C	1180
+CC(C)[Si](C(C)C)(C(C)C)OCC1(CCCCC1)N	1181
+C(c1sc2c(cc(Cl)cc2)c1CC)(=O)C	1182
+CN(C)C=CC(c1c(c2cc(ccc2s1)Cl)CC)=O	1183
+c1cc(ccc1Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O)C#N	1184
+c1ccccc1COC(N2Cc3oc(-c4ccccn4)nc3CCC2)=O	1185
+c1(ccc2Cc3c(-c2c1)n(C)c4ccccc34)OC	1186
+Clc1cc2c(c(sc2cc1)-c3ccnc(n3)N)CC	1187
+CC(C)=CCCc1cc(n[nH]1)C(OCC)=O	1188
+c1cc(ccc1CCc2cc(C(OCC)=O)[nH]n2)OC	1189
+c1cccc(c1-c2noc(c2)CO)F	1190
+c1cc(ccc1-c2noc(C(C)O)c2)F	1191
+c1cc(ccc1)C(c2ccccc2)n3c4ccc(Cl)cc4cc3CCNS(=O)(=O)Cc5cc(c(cc5)Cl)Cl	1192
+CC(C)(C)OC(=O)N(CCCc1cc2cc(ccc2[nH]1)C(Nc3ccc(c(OC)c3)OC)=O)C	1193
+FC(F)(F)c1c(cc2cc([nH]c2c1)C(CSCC)(C)O)C#N	1194
+CC(C)c1cc(Cl)nc(-c2ccc(cc2)Cl)n1	1195
+c12[nH]c(C)cc1cc(cn2)F	1196
+c1cc(ccc1S(=O)(=O)OCC(C)(C)CS(=O)(=O)N)C	1197
+c1cc(ccc1S(=O)(=O)OCC(F)(F)c2ncccc2)C	1198
+CC(C)(CCCOS(=O)(=O)c1ccc(cc1)C)NC(=O)OCc2ccc(cc2)[N+]([O-])=O	1199
+Brc1ccnc2c1cc(C)[nH]2	1200
+CC(C)c1ccc2nc(cn2n1)C	1201
+CC(C)c1ccc2nc(cn2n1)C	1202
+c1cc(ccc1CCNc2ncc(c(O)n2)Cc3cnc(nc3)OC)Oc4ccc(cc4)Cl	1203
+n1c(ncc(c1O)Cc2ccc(nc2)OC)NCCSCc3nc[nH]c3C	1204
+n1c(ncc(c1O)Cc2ccc(nc2)OC)NCCSCc3nc[nH]c3C	1205
+FC(F)(F)c1c(F)ccc(c1)Oc2c(cc(CSc3nc(O)c(cn3)Cc4cnc(nc4)OC)cc2)C#N	1206
+FC(F)(F)c1c(F)ccc(c1)Oc2c(cc(CSc3nc(O)c(cn3)Cc4cnc(nc4)OC)cc2)C#N	1207
+n1c(N[N+]([O-])=O)ncc(c1O)Cc2ccc(nc2)OC	1208
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(cc3Oc4ccccc4)Br)sc2	1209
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(cc3Oc4ccccc4)Br)sc2	1210
+ClC(Cl)(Cl)c1onc(Cc2ccccc2)n1	1211
+C1CC(CCN1c2nc(on2)C(C)C)CCCO	1212
+c1c(F)c(c(cc1)F)C(=O)Nc2cccc(-c3c(sc(C(C)C)n3)-c4ccnc(n4)Cl)c2	1213
+c1ccccc1-c2nc3cc(ccc3cc2)-c4nc(n5ccnc(Cl)c45)C	1214
+FC(F)(F)c1cc(-c2[nH]c(C3CCC(CC3)CNC(OCc4ccccc4)=O)nc2)ccc1	1215
+c1ccccc1-c2nc([nH]c2)CC3COCc4ccccc4CN3S(=O)(=O)c5c6c(ccc5)cccn6	1216
+c1cc(ccc1)-c2csc(CC3(CCC3)COCc4ccccc4)n2	1217
+CC(C)(C)OC(=O)NC(C(c1onc(-c2c(Cl)cc(cc2)NS(=O)(=O)C)n1)C)C(=O)N3CCCC3	1218
+c1(-c2noc(n2)C)cc(N)c(C)cc1	1219
+CC(C)(C)c1cc(cc2c1OCC2(C)C)-c3noc(C)n3	1220
+[nH]1c(CCCCCCC(OC)=O)nc2cc(ccc12)Br	1221
+c1cc(ccc1)COC2CC(C2)c3[nH]c4c(cccc4)n3	1222
+CN(C)CCCn1c(nc2cc(C)ccc12)CCCCCCCCCCCCCCCCC	1223
+CC(C)(C)OC(N1C2C(C2)CC1c3[nH]c4c(n3)ccc5cc(ccc45)Br)=O	1224
+C1CCC(C1)Oc2cc(ccc2OC)Cc3nc4cccc(c4o3)[N+](=O)[O-]	1225
+c1(nc2c(c(Cl)c1)cc(cc2)Br)C	1226
+FC(F)(c1nc2c(cccc2Cl)c(n1)Cl)c3ncc(F)cc3	1227
+FC(F)(F)c1c(-c2cc3c(cc2)c(nc(C)n3)O)nccc1	1228
+c1cc2c(c(Cl)cc(n2)C)cc1I	1229
+CC(C)(C)OC(N(CCCc1ccc2CCCNc2n1)CC(=O)OCC)=O	1230
+c1cc(ccc1F)-c2noc(Cn3c(CCC)nc4cnc5cccnc5c34)c2	1231
+c1ccccc1C(CCCCCn2c3c4ccccc4ncc3nc2CCCC)=O	1232
+c1ccccc1OCCn2c(CCCC)nc3cnc4c(cccc4)c23	1232
+CC(C)(C)OC(=O)NCCCCn1c2c3c(cc(cc3)OCc4ccccc4)ncc2nc1CCOC	1233
+c1cc(ccc1)Oc2nc(c(C)c3n(CCOCCCc4sccn4)c(nc23)COCC)C	1233
+c1ccccc1COc2ccc3c(ncc4nc(n(CC(C)(C)NS(=O)(=O)C)c34)COCC)c2	1234
+C1CC(CCC1Cc2cc(N)n3nccc3n2)C(OCC)=O	1235
+CCCCc1cc(n2c(ccn2)n1)NC	1236
+CC(C)(C)OC(=O)N1CC(n2c3c(cnc4c3scc4)nc2C(C)O)CCC1	1237
+c1(F)cccc(F)c1-c2c(N)n(nc2C)C	1238
+c1cc(ccc1F)-c2c(Br)c(nn2C)C	1239
+FC(F)(F)C(NCCc1cccc(c1)-n2c(N)cc(C(C)(C)C)n2)=O	1240
+O=S(=O)(C)C1CN(c2cc(C)nn2-c3cc(Cl)ncc3)C(C1)C(=O)OC	1241
+FC(F)(F)C(c1ccc(cc1)-n2c(N)cc(n2)C)O	1242
+n1c2CCNc3c(c(F)ccc3)-n2c(C)n1	1243
+n1c2CCc3c(c(F)cc(Br)c3)-n2c(C)n1	1244
+CC(C)(C)OC(=O)NCCc1oc(C)nn1	1245
+FC(F)(F)C(c1nnc(N)o1)(O)C	1246
+C(c1nnc(N)o1)CCCCCCCCCCCC	1247
+C(C)(Oc1c(Cl)cccc1)c2nnc(N=C=O)s2	1248
+CC(C)(C)Cc1nnc(-c2ccc(cc2)[N+](=O)[O-])o1	1249
+c1cc(ccc1C#N)-c2nnc(C(Nc3c4c(cccc4)c(C#N)cc3)C(C)O)o2	1250
+CC(C)(C)OC(NC(C)c1c(c(c2c(ccc(c2)F)n1)-c3nnc(C)o3)-c4ncccc4)=O	1251
+n1cc(cc(c1)-c2nnc(CCl)o2)Br	1252
+c1(nnc(o1)C)-c2cc(Br)cnc2N	1253
+FC(F)(F)c1ncc(cc1)Cc2n3c(nn2)cc(c(Br)c3)-c4ccc(cc4)Cl	1254
+c1cc(ccc1CN2C(c3c(ccc(Cc4nnc5ccc(-c6cccnc6)nn45)c3)N=C2)=O)OC	1255
+c12c(Cl)nc3c(n1c(CC)nn2)cccc3	1256
+c1cc(ccc1)Cn2nnnc2C3CCCN3C(=O)OCc4ccccc4	1257
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)-c2cc(Cl)ccc2)c3n(nnn3)CCC#N	1258
+C1CC1c2c(cc(c(F)c2)[N+]([O-])=O)-n3c(nnn3)C(C)C	1259
+c1([nH]nnn1)C(Oc2cc(ccc2)Oc3ccccc3[N+]([O-])=O)C	1260
+CC(C)(C)OC(=O)N1C(c2nnn[nH]2)CCC1	1261
+CC(C)(C)OC(=O)NC(c1[nH]nnn1)Cc2ccc(cc2)-c3cc(Cl)ccc3	1262
+c1cc(ccc1S(=O)(=O)N2C(c3ccc(cc3)F)CCC2c4nnn[nH]4)C	1263
+CC(C)(C)OC(=O)NC(c1[nH]nnn1)Cc2ccc(cc2)-c3cc(Cl)ccc3	1264
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(COCc3ccccc3)on2	1265
+C1CN(CCC12CC3(C2)Cc4cc(C=5CCN(S(=O)(=O)C)CC=5)ncc4O3)c6nc(no6)CCC	1266
+c1cc(ccc1COC2=CC(N(C=C2)c3ccc4c(c3)n(c(C5CCC5)n4)C)=O)Cl	1267
+CC(C)(C)C(=O)NCc1c(F)c(c(cc1)F)Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(OCC(F)F)cc3n2C	1268
+CC(C)(C)C(=O)NCc1c(F)c(c(cc1)F)Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(OCC(F)F)cc3n2C	1269
+C1CC1C(=O)N2CCC(Cn3c(-c4ccc(cc4)Br)nc5c3cc(F)cc5)C2	1270
+c1cnccc1-c2nnc(N3CCOCC3c4cc(on4)-c5cccc(Cl)c5)n2C	1271
+c1cnccc1-c2nnc(N3CCOCC3c4cc(on4)-c5cccc(Cl)c5)n2C	1272
+c1cnccc1-c2nnc(N3CCOCC3c4cc(on4)-c5cccc(Cl)c5)n2C	1273
+n1(CCO)cnc2cccc(Br)c12	1274
+c1(c(OCc2ccc(nc2)OC)ccc(c1)Cn3cnc4cc(I)ccc34)OC	1275
+c1c(cc2n(cnc2c1)Cc3cncc(F)c3)Br	1276
+CC(C)(C)OC(N1CCC(CC1)n2cnc3cnccc23)=O	1277
+c1cc(ccc1OC)Cn2cnc3cnc(cc23)Br	1278
+c1(c(OCc2ccc(nc2)OC)ccc(Cn3c4c(cc(cn4)I)nc3)c1)OC	1279
+CCCn1cncc1CO	1280
+CC(C)(C)OC(=O)N1CC(C1)n2c(ccn2)-c3c(ccc(c3)Cl)O	1281
+CC(C)(C)OC(=O)N1CC(C1)n2nccc2-c3cc(ccc3O)C(F)(F)F	1281
+CC(C)(C)c1cc2OC3(CCCCCC3)Cc2c(c1O)CC(=C)C	1282
+O=S(=O)(NC1=C2OCCN2C(C(C)=C1Nc3c(F)cc(I)cc3)=O)C4CCC4	1283
+c1cc(ccc1Sc2c(C(O)C=C)c(F)ccc2)F	1284
+c1cc(ccc1Sc2c(C(O)C=C)c(F)ccc2)F	1285
+C1CC1c2c(C)n3c(ccc(c3)N4C=CC(OCc5ccc(F)cc5F)=CC4=O)n2	1286
+c1cc(ccc1CC=2C(N(c3n(ncn3)C=2CCC)C4CCC(CC4)OCC(C=C)=O)=O)-c5ccccc5C#N	1287
+c1cc(ccc1Oc2ccccc2)-c3c(c(nn3C4CCCN(C(=O)C=C)C4)N)C(N)=O	1288
+CC(C)(C)OC(Nc1cc(ccc1C=CC(N2CCN(CC2)Cc3ccc(cc3)F)=O)Cl)=O	1289
+C1CN(CCO1)c2nc(nc3cc(sc23)CN(C(=O)C=C)C)-c4cc(ccc4)O	1290
+C1CN(CCC1)C(c2ccc(cc2)S(=O)(=O)N3CCC(CC3)NC(=O)C=C)=O	1291
+CN(C)c1ccccc1CN2CC(CC2)Nc3cnc(C=CC(NOC4CCCCO4)=O)cn3	1292
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC(=O)C=C	1293
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(c2c(F)c1)Oc4cccc(NC(C=C)=O)c4	1293
+C(COC)Oc1ccc(Nc2nc(c(F)cn2)Nc3cccc(c3)NC(=O)C=C)cc1O	1294
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCN(CC3)CCC4=C(N=C5N(C(=CS5)C)C4=O)C	1295
+CC(C)n1c2c(cn1)c(C(NCc3c(nc(C)cc3C)O)=O)cc(C4=CCN(CC4)C(=O)CCCN(C)C)n2	1296
+C1CCN(C1)CC=Cc2cc3c(c(Nc4cc(c(Sc5n(C)ccn5)cc4)Cl)c(cn3)C#N)cc2	1297
+c1cc(ccn1)CN2CC3=C(CC2)c4c(cc(cc4)OC)OC3=O	1298
+CC(C)(C)Cc1coc2cc(OCC=C)ccc12	1299
+FC(F)(F)C(N1C(Cc2cc(c(cc2C(C)C1)Br)OCC=C)C)=O	1299
+c1cc(c2c(c(C)co2)c1OCC=C)C(=O)c3sccc3	1299
+C(c1c(c(C(=O)OC)ccc1Cl)O)C=C	1300
+c1cc(ccc1CCc2oc3c(c(c(cc3)CC=C)O)c2C)OC	1300
+CC(C)(C)OC(CC(=O)CC(O)C=CC(=C(c1ccc(cc1F)C)c2ccc(cc2F)C)c3n(C)nnn3)=O	1301
+c1cc(ccc1C2C(C=C)C2)Br	1302
+c1cc(cc(I)c1OC=C)CCCO	1303
+O=S(=O)(NCCOc1ccnc(Oc2c(cc(Cl)c(c2)Cl)I)c1)C=C	1304
+O=S(=O)(NCCOc1ccnc(Oc2c(cc(Cl)c(c2)Cl)I)c1)C=C	1305
+c12c(cc(C=C)c(c1)OC)cc(cc2)Br	1306
+c1ccccc1C(CCN2CCC(CC2)CCCc3ccccc3)Cl	1307
+c1cccc2C=Cc3ccccc3C(c12)Cl	1308
+c1ccccc1C(CCl)CN2CCOCC2	1309
+c1ccccc1COc2c(ccc(OCc3ccccc3)c2)CCl	1310
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4cc(Cl)[n+]([O-])cc4	1311
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4ccnc(c4)Cl	1312
+C1CCCCN1CCOc2c3ccc(nc3c(cc2)Cl)Cl	1313
+C1CCCCN1CCOc2c3ccc(nc3c(cc2)Cl)Cl	1314
+FC(F)(F)C(=CC(=O)c1cc2c(s1)cccc2Cl)c3cc(Cl)cc(Cl)c3	1315
+FC(F)(F)C1(CC(=NO1)c2cc3c(cccc3Cl)s2)c4cc(Cl)cc(Cl)c4	1316
+FC(F)(F)C1(CC(=NO1)c2cc3c(cccc3Cl)s2)c4cc(Cl)cc(Cl)c4	1317
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(c4ccccc34)Br	1318
+O=S(=O)(n1c2c(cc(cc2)CC[N+](=O)[O-])c3cc(cnc13)Cl)c4ccccc4	1319
+CC(C)(C)OC(=O)CCC=1[N+](=O)C(=C=[N-])C=CC=1	1320
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	1321
+FC(F)(F)c1cccc(N2C(=NOC2=O)c3nonc3NCCN=[N+]=[N-])c1	1322
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	1322
+N1CC(CN=[N+]=[N-])c2c1cccc2	1322
+N(=[N+]=[N-])CC1OC(N2C=C(I)C(N)=NC2=O)CC1O	1323
+[N-]=[N+]=NCC1OCN(C1)c2ccc3C(N4C(=Nc3c2)C(c5cc(ccc45)F)=O)=O	1323
+c1ccc2c(c1)c3c(cccc3)n2CCCN=[N+]=[N-]	1323
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	1324
+[N-]=[N+]=Nc1c2c(nc(-c3cc(F)ccc3)c1)ccc(c2)Br	1325
+Ic1c(NC(Nc2c(cc(cc2)N=[N+]=[N-])O)=O)cccc1	1326
+C1CC(CCC12CCC(CC2)C#N)O	1327
+C1CC(CCC1(F)CO)(C#N)NC(=O)OCc2ccccc2	1328
+c1cc(ccc1F)CN2c3ccccc3C(Cl)=C(C#N)C2=O	1329
+c1cc(ccc1F)CN2c3ccccc3C(Cl)=C(C#N)C2=O	1330
+C1CC1C=C(C(N2CCCC2Cn3c4c(c(n3)-c5c(F)cc(cc5)Oc6cccc(F)c6F)c(N)ncn4)=O)C#N	1331
+c1cc(ccc1-c2nn(C3CN(CCC3)C(C(=CC4CC4)C#N)=O)c5ncnc(c25)N)Oc6c(cccc6)F	1331
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6c(ccc(F)c6)F	1331
+c1cc(ccc1-c2nn(C3CN(CCC3)C(C(=CC4CC4)C#N)=O)c5ncnc(c25)N)Oc6c(cccc6)F	1332
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6c(ccc(F)c6)F	1332
+C1COC2(O1)CCC(CC2)CC#N	1333
+C1Cc2ccc(nc2NC1)CCC#N	1334
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C4CCC(CC4)CC#N)nc3	1334
+c1c(cc(CCCC#N)c(F)c1)Br	1335
+c1cc(ccc1)CN2CCC(C2)CC#N	1335
+c1ccccc1COCC2C(CC=CC2)CC#N	1335
+CC(C)(C)OC(=O)N1CCCC(C(OCC#N)c2cc(Cl)cc(c2)F)C1	1336
+CC(C)(C)OC(=O)N1CCCC(C(OCC#N)c2cc(Cl)cc(c2)F)C1	1337
+CC(C)(C)OC(=O)N1CCCC(C(OCC#N)c2cc(Cl)cc(c2)F)C1	1338
+c1cc(ncc1Br)CC#N	1339
+C(c1c[nH]c2c([N+]([O-])=O)cccc12)C#N	1340
+Clc1cc(CC#N)cc(OC)c1	1341
+FC1(F)Oc2cc(ccc2O1)CC#N	1342
+Clc1cc(CC#N)cc(OC)c1	1343
+FC1(F)Oc2cc(ccc2O1)CC#N	1343
+[N+](c1cc(CC#N)cc(Br)c1)([O-])=O	1343
+c1c2c(nc(-c3cc(c(CC#N)cc3)-c4cc(ccc4)C#N)o2)ccc1	1344
+[N+](c1cc(CC#N)cc(Br)c1)([O-])=O	1345
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CC#N	1345
+Clc1cc(cc(Cl)c1CC#N)Cl	1346
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CC#N	1346
+c1(I)cc(ccc1F)CC#N	1347
+CC(C)(C)OC(=O)NC(CC#N)c1ccc(cc1)-c2ccccc2	1348
+c1c2NC(CCc2cc(C#N)c1)=O	1349
+CC(C)(C)OC(CCc1cccc(C#N)n1)=O	1350
+CC(C)(C)OC(CCc1cccc(C#N)n1)=O	1351
+Nc1ncc(C#N)c(Cl)c1	1352
+N#Cc1ccc2C(=O)c3c(ccc(Br)c3)-c2n1	1353
+N#Cc1ccc2C(=O)c3c(ccc(Br)c3)-c2n1	1354
+c1cc(ccc1Cl)-c2c(nc(Cl)c(c2)C#N)-c3c(Cl)cccc3	1355
+c1cc(ccc1Cl)-c2c(-c3c(Cl)cc(cc3)Cl)nc(O)c(c2)C#N	1356
+[nH]1cc(c2c1ncnc2Cl)C#N	1357
+n1c2c(ccc1)cc(C#N)cc2	1358
+FC(F)(F)C1C(C(OCC)=O)=Cc2cc(C#N)ccc2O1	1359
+c1c(Nc2cncc(-c3ccccc3F)c2C#N)c(F)cc(I)c1	1360
+n1c2c(ccc1)cc(C#N)cc2	1361
+C1CC(CCC1)NC2CN(CC2)C(=O)OCc3ccccc3	1362
+CC(C)(C)OC(=O)N1CC(CC(N=[N+]=[N-])C1)C(OC)=O	1363
+O=S(=O)(C)NC1CCCOc2c1cccc2	1364
+FC(F)(F)S(=O)(=O)Oc1cc2c(C(CCC2)N=[N+]=[N-])cc1	1365
+C1CN(CCC1CCCC(=O)N)C(N(C(=O)Oc2ccccc2)c3nccc(c3)Oc4cc5ccn(C(=O)NC)c5cc4)=O	1366
+CC(C)(C)OC(=O)NC1C(F)CN(C(=O)OCc2ccccc2)C1	1367
+CC(C)(C)OC(NC1CCOc2cc(ccc12)C#N)=O	1367
+FC(F)(F)c1ccc(cc1)C=Cc2nc(C(=O)Nc3ccc(cc3)CCCCn4ccnn4)co2	1368
+C1Cc2ccccc2C(c3c1cccc3)=CC4CN(CCO4)C(=O)OCC	1369
+FC(F)(F)C(=O)N(C)c1ccc2nc(oc2c1)C	1370
+CC(C)(C)OC(=O)Nc1onc(c1)C(C)(C)CNC	1371
+c1cc(ccc1C#N)CCCNCCO	1372
+CC(C)(C)[Si](C)(C)OCCOc1cccc(CNC)c1	1373
+c1(cc(ccc1Br)C2NCCC2)F	1374
+CC(C)(C)OC(=O)N1C(CNC(=O)C(F)(F)F)C2CCC1C2	1375
+FC(F)(F)c1ccc(cc1)C2c3c(cc(cc3)F)CCN2	1376
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1377
+N(C)c1ccc2nc(oc2c1)C	1378
+N(C)c1ccc2nc(oc2c1)C	1379
+FC(F)(F)c1ccc(cc1)C2=NCCc3cc(ccc23)F	1380
+CC(C)(C)OC(N1CC(c2c3cccc4CCCn(c2)c34)C(c5c[nH]c6c5cccc6)C1)=O	1381
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN2C(c3c(C2=O)cccc3)=O	1382
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1383
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1384
+CC(C)(C)OC(=O)N1C(CC2CCCC12)CNCc3ccccc3	1385
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	1385
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1386
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	1387
+c1cc(ccc1C(OCC)=O)NCCOc2c3c(ccc2)cccc3	1388
+C1CC(CCC1C(OCCCC)=O)CN=[N+]=[N-]	1389
+C1CC(CCC1C(OCCCC)=O)CN=[N+]=[N-]	1390
+N(=[N+]=[N-])CC1C(C(O)C(n2c3c(c(nc(N)n3)O)nc2)O1)O	1391
+N(=[N+]=[N-])CC1NC(c2c(C1)cccc2)=O	1391
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(OCCN=[N+]=[N-])CC2COc4c(F)ccc(F)c34	1391
+C1CC1NCc2c(ccc(c2)Br)Cl	1392
+c1cc(ccc1NCc2cc(ccc2)OC3CCCCO3)OCCN4CCCC4	1393
+[N-]=[N+]=NCc1ccc2c(c1)OC(C=C2c3cc(F)ccc3)=O	1394
+N(Cc1ccccc1-c2nnsc2)=[N+]=[N-]	1395
+N#Cc1cc(F)c(cc1F)CN=[N+]=[N-]	1396
+CC(C)(C)OC(=O)Nc1cnc(nc1Oc2c(cccc2)C)SC	1397
+FC(F)(F)C(Nc1ccc2nc(C)oc2c1)=O	1398
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)NS(=O)(=O)C	1399
+[N-]=[N+]=Nc1cc(ccc1)OCC(=O)O	1400
+n1n2c(c(O)ccc2)nc1NC(OCC)=O	1401
+c12C(=O)c3c(ccc(Br)c3)-c1nc(cc2)C=NO	1402
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCc3cccc(C#N)c3	1403
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCc3cccc(C#N)c3	1404
+FC(F)(F)C1=CC(=O)N(C(N1)=O)c2c3OCCCc3c(Cl)cc2F	1405
+CC(C)CN1c2nn(Cc3ccnc4ccc(cc34)Cl)c(-c5n(C)ccc5)c2C(NC1=O)=O	1406
+c1ccccc1-c2n(-c3cc(ccc3O)[N+]([O-])=O)cc4N(C)C(N(C(=O)c24)C)=O	1407
+S=C1N(c2[nH]cnc2C(=O)N1)c3cc(CC)ccc3	1408
+S=C1N(c2[nH]cnc2C(=O)N1)c3cc(CC)ccc3	1409
+c1c2c(OCCN2)cc([N+]([O-])=O)c1	1410
+CC1(C)Cc2c(n3CCN(c4nccc(C5=CN(C(C(=C5)Nc6cc7n(CCOC7)n6)=O)C)c4C=O)C(=O)c3c2)C1	1411
+C1OCC1N(C)Cc2n(C)nc(c2)NC3=CC(=CN(C)C3=O)Br	1412
+O=S(=O)(C)c1ccc(c(c1-c2ccon2)C)C(=O)C3C(=O)N(N=C3)CC	1413
+O=S(=O)(C)c1ccc(c(c1-c2ccon2)C)C(=O)C3C(=O)N(N=C3)CC	1414
+c1cc(cc2C(=O)C(=O)Nc12)F	1415
+C1CC1c2sc(nn2)N3C(CCN(C)C3=O)OC(=O)CCl	1416
+CC(C)(C)c1nnc(s1)N2C(OC(Oc3cc(ccc3)[N+]([O-])=O)=O)CCN(C)C2=O	1417
+C1(c2c(C(=O)N1C(C)C3=C(Br)C(N4C(C)=CC=CC4=N3)=O)cccc2)=O	1418
+C1(c2c(C(=O)N1C(C)C3=C(Br)C(N4C(C)=CC=CC4=N3)=O)cccc2)=O	1419
+C1(c2c(C(=O)N1C(C)C3=C(Br)C(N4C(C)=CC=CC4=N3)=O)cccc2)=O	1420
+OC(C=1N=C2C=CC=C(C)N2C(C=1Br)=O)C	1421
+OC(C=1N=C2C=CC=C(C)N2C(C=1Br)=O)C	1422
+C1C(c2cccnc2)CC(N)C1	1423
+CC(C)(C)OC(=O)N1CC(CC1)(C)N2CCC(CC2)N	1424
+C1CC(CCC12COC2)N	1425
+C1C2CCC(CC1N)N2Cc3ccccc3	1426
+c1ccccc1CC2CCC(CC2)N	1427
+Clc1cccc(c1)C(N)Cc2ncccc2	1428
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(N)c2cc1	1429
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(N)c2cc1	1430
+C1=CC=C(C)N2C(C(Br)=C(N=C12)C=O)=O	1431
+c1cc(ccc1)-c2c(F)cc(C(N)=NO)cc2	1432
+n1c2c(ccc1)cc(cc2)C(=O)N	1433
+NC(=O)c1c(Nc2ccc(I)cc2F)cncc1-c3ccccc3F	1434
+FC(F)(F)c1c(cnn1-c2ccc(Cl)cc2Cl)C(=O)N	1435
+NC1=C(N)C(NC(=O)N1)=O	1436
+C1(N(Cc2c(F)cccc2)C(C(N)=C(N)N1)=O)=O	1437
+c1c(ccc2c1C(Cl)=C(C#N)C(=O)N2C)F	1438
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3C(C(c4c(cc5OCOc5c4)O)(c6ccccc36)CO)=O	1439
+Clc1ccc(c(c1)O)C2(CO)C(=O)N(c3ccccc23)CC(=O)OC	1440
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3C(C(c4c(cc5OCOc5c4)O)(c6ccccc36)CO)=O	1441
+Clc1cc(c(cc1)C2c3c(cccc3)N(C2=O)CC(=O)OC)O	1442
+C1CN(CCC1)c2nc(C=C3SC(=S)N(CC(=O)O)C3=O)cs2	1443
+C1CN(CCC1)c2nc(C=C3SC(=S)N(CC(=O)O)C3=O)cs2	1444
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3c4ccccc4C5(COc6cc7OCOc7cc56)C3=O	1445
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3c4ccccc4C5(COc6cc7OCOc7cc56)C3=O	1446
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3c4ccccc4C5(COc6cc7OCOc7cc56)C3=O	1447
+C(N(OC)C(C1=C(O)C(=O)N(C1)C)=O)c2cccc(F)c2	1448
+c1ccccc1C(NC(C2CCN(CC2)C)=O)C(NC3CCCC(N4c5cccc(Cl)c5-c6noc(c6C4=O)C)C3)=O	1449
+C1CC(CCN1C(=O)C(NC(C2CC2)=O)C)CCc3c(nc(C)nc3N)Cl	1450
+c1cc(ccc1)C2C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4c(cccc4)O2)CC#C	1451
+c1cc(ccc1)C2C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4c(cccc4)O2)CC#C	1452
+FC(F)(F)CSCC(=O)NC1C2N(C(C(O)=O)=C(COC)CS2)C1=O	1453
+C1CC(CCC1)CC(C(NC2C(O)CN(CCC)C(CC2)C)=O)NC(=O)c3occc3	1454
+C1CCCCC1C(C(=O)NC(C(O)c2nc3c(cccc3)o2)CC)NC(=O)c4ccc(cc4)-c5c(Cl)cccc5	1455
+C1CSCCN1C2(CC2)C(=O)N3C(C(NC4(CC4)C#N)=O)CC(S(=O)(=O)c5ccccc5Cl)C3	1456
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(N)=O	1457
+CC(C)(C)OC(=O)NC(C(N)=O)Cc1ccc(cc1)S(=O)(=O)c2ccccc2	1458
+c1ccccc1CN(Cc2ccccc2)C3COC(C(N)=O)CC3	1459
+c1(ccccc1F)-c2ccccc2CC(N)=O	1460
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCOCC(=O)N	1460
+CN(C)C(N(CCO)CCCc1ccc(cc1)C#N)=O	1461
+FC(F)(F)c1nc(C2(CCN(CC2)C(Nc3nc4c(ncnc4OC)s3)=O)O)ccc1	1462
+C1N(CC1Oc2ccc(cc2)Cl)CC3C(CCCC3)NC(=O)Nc4nnc(s4)CC	1463
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	1463
+O=S(=O)(C)c1cccc(NC(=O)Nc2ccc(cc2)Oc3ccnc4cc(c(cc34)C#N)OCc5ccccc5)c1	1464
+C1COCCN1c2c(C#N)c(-c3c(cc(cc3)Cl)Cl)c(s2)C(=O)N	1465
+N1(CC(F)CC1C(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(=O)Cn4c5c(c(C(N)=O)n4)CCCC5	1466
+C1CC1Nc2nc3c(c(c(s3)C(N)=O)N)c(-c4cnccc4)n2	1467
+FC(F)(F)c1cc(-c2c(C(N)=O)cc([nH]2)-c3ccnc(n3)N)c(Cl)cc1	1468
+c1(cc2c(cc1)cccc2[N+]([O-])=O)C(=O)N	1469
+FC(F)(F)Oc1ccc(cc1)-n2nc(-c3ccc(cc3)CCCNC(=O)NC(Nc4ccccc4CC)=S)nc2	1470
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)NC(=S)N)Cl	1471
+C1(=C(N(N(C1=O)c2ccccc2F)C)C)N	1472
+c1ccccc1CN2C(CN)CN(c3ccccc3)CC2	1473
+c1cc(ccc1)CN2CC(CC2)CCN	1474
+c1cc(ccc1Br)NCCN2CCCC2	1475
+C(Oc1cccc(N)c1)CN	1476
+c1cc(CCN)ncc1Br	1477
+O=S(=O)(n1c2c(cc(cc2)CCN)c3cc(cnc13)Cl)c4ccccc4	1478
+O=S(=O)(n1c2c(cc(cc2)CCN)c3cc(cnc13)Cl)c4ccccc4	1479
+c1c(cc(c(c1)CCN)Cl)Br	1479
+c1(OC)cc(CCN)cc(Br)c1	1480
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN	1481
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)CN)ccc(c1)Br	1482
+C1CC(CCC1CN)C(OCCCC)=O	1483
+c1ccc2ccc3c4c(ccc1c24)ccc3COCCCCCN	1484
+CC(C)(C)OC(N1CCN(CC1)CCCN)=O	1485
+FC(F)(c1c(Cl)cc(Cl)cc1)CN	1485
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	1486
+c1cc(ccc1)COCCC(F)(F)CN	1487
+c1(cc(Oc2cc(c(cc2I)Cl)Cl)ncc1)OCCN	1488
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN	1489
+C1CC(CCC1CN)C(OCCCC)=O	1490
+C1CC(CCC1CN)C(OCCCC)=O	1491
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	1492
+c1ccccc1COc2ccc(C(O)CN)c3SC(Nc23)=O	1493
+C1(C(OC(C1O)n2c3c(c(nc(N)n3)O)nc2)CN)O	1494
+C1(C(OC(C1O)n2c3c(c(nc(N)n3)O)nc2)CN)O	1495
+NCC1Cc2c(cccc2)C(N1)=O	1495
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCN	1495
+NCC1Cc2c(cccc2)C(N1)=O	1496
+O=S(=O)(c1cc(ccc1)F)c2ccc3CCC(Oc3c2)CN	1496
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCN	1496
+FC(F)(F)c1nccc(n1)N2CCC(CC2)CN	1497
+c12ccccc1c3c(cccc3)nc2CN	1498
+FC(F)(F)C1(ON=C(C1)c2cc(c(nc2)CN)Cl)c3cc(Cl)cc(Cl)c3	1499
+c1cc(ccc1-n2cnc(CN)c2)N3C=CC=CC3=O	1500
+FC(F)(F)c1ccc(cn1)-c2cc(ncc2Cl)CN	1501
+C(c1ccc2c(c(ccc2)O)n1)N	1502
+NCc1c2c(ccc1)cccn2	1503
+C(c1ccc2ncccc2c1)N	1504
+C1CCCC(n2c3cc(CN)ccc3cn2)O1	1505
+Clc1ccc(I)c(CN)c1	1506
+CC(C)(C)OC(COc1ccc(cc1)CN)=O	1507
+c1c(c(-c2nnsc2)ccc1)CN	1508
+c1c(c(-c2nnsc2)ccc1)CN	1509
+C1CCCCC1(c2ccc(cc2)CN)O	1510
+c1cc(ccc1OCCN2CCCC2)CN	1511
+C(c1ccc2ncccc2c1)N	1512
+c1cc(ccc1CN)Oc2c(cc(Br)cc2)Cl	1513
+c1cc(ccc1CN)-c2ocnc2	1514
+C(c1ccc2ncccc2c1)N	1515
+C1CC(CCN1c2c(Cl)cc(C=3c4c(cc(c(c4)OC)OC)C(N(C=3)CC)=O)cn2)C(C)(C)O	1516
+c1cc(ccc1F)-n2ncnc2-c3ccc(cc3)N=CN(C)C	1517
+FC(F)(F)c1ccc(cc1)C2c3c(cc(cc3)F)CCN2	1518
+NC=1C(NC(=O)N(CCCCC)C=1N)=O	1519
+C=1(N(C(=S)NC(C=1N)=O)c2cc(CC)ccc2)N	1520
+C(CC)N1C(C(N)=C(N)NC1=O)=O	1521
+NNC(c1cccc(c1)I)=O	1522
+c1cc(ccc1)-c2cc3c(ccc3)oc2CC(=O)NN	1523
+FC(F)(F)COc1c(C2CCCCC2)cc(C(NN(c3nnc(Cl)cc3)C)=O)cn1	1524
+FC(F)(F)c1cc(Oc2cc(C(=O)NN)ccc2)ccc1	1525
+c1c(-c2cncc(Nc3ccc(I)cc3F)c2C(NN)=O)c(ccc1)Cl	1526
+Clc1c(SCCCCl)c(ccc1)NN	1527
+FC(F)(F)C(NCCc1cc(ccc1)NN)=O	1527
+FC(F)(F)C(c1ccc(cc1)NN)O	1527
+c1cc(ccc1F)S(=O)(=O)c2ccc(cc2)NN	1527
+c12OC(C)Cc1cccc2NN	1528
+c1cc(ccc1CCNc2cc(nc(n2)OC)-c3cccc(S(=O)(=O)N)c3)OC	1529
+c1c(C(CCCCCl)=O)cc(N)c2OCCc12	1530
+c1cc(ccc1N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl)N	1530
+C(CC1CCc2cc(N)ccc2O1)C#N	1531
+Fc1cc(cc(F)c1N2CCS(=O)(=O)CC2)N	1531
+OP(O)(c1cc(ccc1)N)=O	1531
+c1cc(ccn1)-c2c(F)c(N)ccc2F	1531
+c1ccccc1Oc2cc(N)c(O)cc2	1531
+c1ncncc1Oc2cc(cc(c2)Cl)N	1532
+Nc1ccc2CC3(c4ccccc4NC3=O)Cc2c1	1533
+FC(F)Oc1c(c(F)cc(c1F)C(OCC)=O)N	1534
+FC(F)(F)C(N1CCc2ccc(cc2CC1)N)=O	1535
+FC(F)(F)Oc1ccc(O)c(c1)N	1536
+FC(F)(F)c1ccc(N)c(O)c1	1536
+C(c1cccc(F)c1)n2ncc3cc(ccc23)Nc4c5cc(ncc5ncn4)N	1537
+Nc1cc2c(ncnc2cn1)Nc3cc(Br)c(Br)cc3	1537
+CC(C)(C)OC(N1CCC(CC1)Nc2c3ccnc(c3ccc2)N)=O	1538
+C1CCCCC1c2noc(c2)N	1539
+C1CCN(C1)c2nc3cc(ccn3n2)N	1540
+c1cc(ccc1S(=O)(=O)C)-c2cc(sc2-c3ccc(cc3)F)N	1541
+C1CCc2nc3c([n+]([O-])c4ccccc4c3n2OC1)N	1542
+C1CC(CCC1NS(=O)(=O)C(C)C)CNc2nc(cs2)-c3ccccn3	1543
+c1cc(ccc1F)Nc2nc(-c3ccc(cc3)F)cs2	1544
+c1ccccc1OCC(N2CCC(CC2)Cc3ccccc3)C(c4cc5sc(nc5cc4)N)O	1545
+CC(C)(c1cc(ccc1)C(=O)Nc2cccc(Oc3c(c4c(cc3)nc(s4)N)C#N)c2)C#N	1546
+c12c(cccc1)nc(N)c3nc4n(OCCCC4)c23	1547
+c12c(cccc1)nc(N)c3nc4n(OCCCC4)c23	1548
+Nc1sc2c(cc(nc2Br)Br)n1	1549
+c1ccccc1C(c2cc(ccc2F)-c3ccnc(n3)N)O	1550
+n1n2c(c(O)ccc2)nc1N	1551
+n1n2c(c(O)ccc2)nc1N	1552
+c1ccccc1-c2cc3c(N)n[nH]c3nc2	1553
+c1(c(Br)cccc1N2N=C(C(=O)C)C(=O)C(=C2)OC)F	1554
+c1(c(Br)cccc1N2N=C(C(=O)C)C(=O)C(=C2)OC)F	1555
+FC1(F)Oc2c(cccc2N3N=C(C(C)=O)C(=O)C(OC)=C3)O1	1556
+FC1(F)Oc2c(cccc2N3N=C(C(C)=O)C(=O)C(OC)=C3)O1	1557
+CN(C)C=CC(C=1C(=O)C(=CN(N=1)c2cccc3c2OC(F)(F)O3)OC)=O	1558
+Fc1c(F)cn(c1)-c2cc(c(N3C=C(OC)C(C(=N3)C(N(C)OC)=O)=O)cc2)OCc4ccccc4	1559
+FC1(F)Oc2c(cccc2N3N=C(C(=O)C(=C3)OC)C(N(C)OC)=O)O1	1560
+O=C(OCC)C(=NOCCC)c1csc(N)n1	1561
+c1(c(Br)cccc1N2N=C(C(N(OC)C)=O)C(=O)C(=C2)OC)F	1562
+C1CC(CCC1C(=N)NO)C(OC)=O	1563
+C1(N(C(SC)=NC)CCOC1)c2noc(-c3cc(Cl)ccc3)c2	1564
+o1c(-c2csc(c2)Cl)cc(C3N(C(SC)=NC)C4CC4C3)n1	1565
+o1c(-c2csc(c2)Cl)cc(C3N(C(SC)=NC)C4CC4C3)n1	1566
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)C(NO)=N	1567
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1568
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1569
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	1570
+c1cc(ccc1CCC2NC(OC2)=N)NS(=O)(=O)c3cccc4cnccc34	1571
+O=S(=O)(O)N1C(=O)C(C1COC(=O)N)NC(=O)C(=NOCCN=[N+]=[N-])c2nc(sc2)N	1572
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(C(=NOCCC)c4nc(sc4)N)=O)=O	1572
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(=O)C(=NOCC(=O)OCC)c4nc(NC=O)sc4)=O	1573
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(C(=NOCCC)c4nc(sc4)N)=O)=O	1573
+CC(C)(C)[Si](C)(C)OCc1c(nc(Cl)nc1)Nc2n[nH]c(C3CC3)c2	1574
+OB(O)c1cc2ccc(Cl)cc2cc1	1575
+c1ccccc1C#Cc2ccc(cc2)B(O)OC	1576
+CC1(C)C(C)(C)OB(O1)c2c(cc(CC(OC)=O)cc2)F	1577
+CC1(C)OB(OC1(C)C)c2c(F)cc3OCCCc3c2	1578
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3CCC(CC3)O	1579
+FC(F)(F)c1c(C(C(OCC)C(OC)=O)O)ccc(OCc2ccccc2)c1	1580
+C1CC(CCC1c2cccc(F)c2)O	1581
+C1CC(CCC1c2nc(ccc2F)C(OC)=O)O	1581
+C1C(CC1)(C(O)CN2CCCCC2)c3ccccc3	1582
+FC(F)(F)c1cc2ncc(c(OCCCCCOC=3C(=O)C=C(OC=3)CN4CCN(CC4)C)c2cc1)C(=O)OCC	1583
+c1cc(ccc1)COc2ccc(c(OCC(c3ccccc3)O)c2)OCc4ccccc4	1584
+CC(C)(C)OC(=O)N1CC(C(O)c2cc(cc(c2)Cl)F)CCC1	1585
+CC(C)(C)OC(=O)N1CC(C(O)c2cc(cc(c2)Cl)F)CCC1	1586
+c1ccccc1CN(Cc2ccccc2)c3nccc4cc([nH]c34)C(O)c5ccccc5	1587
+c1ccccc1CN(Cc2ccccc2)c3nccc4cc([nH]c34)C(O)c5ccccc5	1588
+FC(F)(F)C(c1ccc(Br)cc1-c2ccccc2)O	1589
+FC(F)(F)C(c1ccc(Br)cc1-c2ccccc2)O	1590
+CCOC(=O)C(C(=O)OCC)C(=O)c1c(F)c(OC(F)F)c(c(F)c1)F	1591
+CC(C)(C(OCC)=O)Oc1ccc(cc1)CCCC(=O)O	1592
+c1cc(ccc1OCC2(CC(C)C)Oc3c(c(C)c(OC(C)=O)c(C)c3C(=O)C2)C)CC(C(=O)OCC)Cl	1593
+CC(C)C(Oc1cccc2c1cc(C)n2Cc3ccccc3)C(=O)OCC	1594
+C1CC1NC=C(C(=O)c2c(cc(c(c2)F)C=3CCN(CC=3)C(C)=O)F)C(=O)OCC	1595
+O=C(OCC)C(=Cc1cc(c(cc1)-n2cc(nc2)C)OC)CCCCl	1596
+C1CC(CCC12OCCO2)CC(=O)OC	1597
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1598
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1599
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	1600
+N1(C(=O)C)c2cc(C)cc(C)c2C(CCC(=O)O)C1	1601
+c1ccccc1CC(C(OCC)=O)NC(Cn2c3c(cc2)cc(cc3)[N+](=O)[O-])=O	1602
+C1CCCCC1C(C2CCCCC2)CC(=O)NCC(OC(C)(C)C)=O	1603
+FC(F)(F)C1(CCC(CC1)(C(OC)=O)NC(Cc2cc(ccc2C)-c3ccc(cc3)Cl)=O)OC	1604
+c1ccccc1COC(=O)N2CCCC2(Cc3ccccc3)C(NC(C(OC)=O)C(C)O)=O	1605
+CC(C)CC(C(=O)OC)NC(=O)c1c(cc([N+]([O-])=O)cc1)-c2c(C)cccc2	1606
+CC(C)(C)OC(=O)CNC(c1cc(Cl)c(cc1)NC(=O)OCc2ccccc2)=O	1607
+CC(C)(C)OC(=O)CNc1ccc(cc1OCc2ccccc2)I	1608
+c1ccccc1Cn2c(cc3c2cccc3OCC(OC)=O)C	1609
+c1ccccc1-c2cn(Cc3cc4c(cc3)cc(cc4)OCc5ccccc5)cc2C=CC(OCC)=O	1610
+c1ccccc1-c2cn(Cc3cc4c(cc3)cc(cc4)OCc5ccccc5)cc2C=CC(OCC)=O	1611
+COc1c(OC)c(cc2cc(ccc12)C=CC(OCC)=O)OC	1612
+COc1c(OC)c(cc2cc(ccc12)C=CC(OCC)=O)OC	1613
+FC(F)(F)C(=O)N(C1CCN(CC1)C(=O)OC2(CC2)C)C3CC3	1614
+C1CN(CCN1c2scc(-c3ccccc3F)n2)C(OCC(C)C)=O	1615
+C1CC(CCN1C(OC(C)C)=O)N2CCC(CC2)N3C4CCCCC4OCC3=O	1616
+C1CC(CCN1C(OCCC)=O)Nc2ncc(C(c3ccccc3OC)=O)c(n2)N	1616
+C1CN(CCC1C(=O)OCC)C2CC3(C2)CCN(C(OCC)=O)C3	1616
+CC(C)COC(=O)N(C1CN(C(C2CCN(CC2)c3ccc(C#N)cn3)=O)CC1c4ccc(cc4)Cl)C	1616
+C1CC1NC(Nc2ccc(cc2)-c3nc(N4C(COCC4)C)c5CN(Cc5n3)C(OC)=O)=O	1617
+C1CN(CCC1(c2c(cccc2)C)CNC(=O)OCC)C(=O)OCC	1618
+CC(C)(C)OC(=O)N1CC(CCC1)C(c2cc(Cl)cc(c2)F)OCCNC(=O)OC	1619
+c1cc(ccc1)S(=O)(=O)n2ccc3c4n(C5CC(NC(=O)OC)CC5)nnc4cnc23	1620
+c1cc(ccc1Br)N2CCC(CC2)NC(=O)OCC	1620
+C(CC1CCc2cc(ccc2O1)NC(OCC)=O)C#N	1621
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)NC(=O)OCC(C)C)F	1621
+C(CC1CCc2cc(ccc2O1)NC(OCC)=O)C#N	1622
+C1CC1(C(OCC)=O)Oc2cc(NC(OCC)=O)c(F)cc2Cl	1622
+CC(C)OC(Nc1cc(-c2[nH]c3ncc(cc3n2)Br)c(Cl)cc1)=O	1623
+N(c1ccc(C)c(c1)C(=O)c2ccc(Nc3c(F)cc(F)cc3)cc2Cl)C(=O)OCC	1623
+O(C(Nc1cccc(NC(C=C(OC)C)=O)c1)=O)CCC	1623
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)NC(=O)OCC(C)C)F	1623
+C1CCCCC1COc2c3nc(c(n3cc(C)c2)C(OCC)=O)C	1624
+c1(cnc2cc(ccc2c1Cl)F)C(=O)OCC	1625
+N1(Cc2cc(C(OCC)=O)sc2CC1)C(OCC)=O	1626
+Clc1ccc2cc(C(=O)OCC)[nH]c2c1	1627
+c1cc(ccc1-c2cc(C(=O)OCC)nn2CC(C)C)Br	1628
+CC(C)c1onc(c1)C(=O)OCC	1629
+c1cc(ccc1)CN2C(CN3C(C(Oc4cc(OC)cc(c4)OC)C3(c5cc(ccc25)Cl)c6ccccc6)=O)=O	1630
+C1CN(CCC12NC(C(c3c(ccc(c3)C)C)=C2O)=O)OC	1631
+C1CCCC1CC(C(OC)=O)N2C(C=C(Oc3c(C)ccc(C)c3C)C=N2)=O	1632
+C1CCCC1CC(C(OC)=O)N2C(C=C(Oc3c(C)ccc(C)c3C)C=N2)=O	1633
+FC(F)(c1ncccc1)CO	1634
+C1CC(CCC1C2CCC(CC2)CCC)CCCO	1635
+Fc1cccc(F)c1CCCO	1636
+O(CCO)CCc1cccc2ccccc12	1637
+FC(F)(F)c1cc(Oc2ccc(cc2)CCO)ccc1Cl	1638
+C(COCc1nccs1)O	1639
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)CO	1639
+Clc1ccc(c(Cl)c1)CNC(c2c(nn(CCO)c2)OCC)=O	1640
+C(O)CCc1ncsc1	1641
+C(CCCc1cc(c(cc1)Cl)Cl)O	1642
+c1c(ccc(-c2oncc2CCCO)c1F)F	1643
+c1c(ccc(-c2oncc2CCCO)c1F)F	1644
+O(COC)Cc1c(cc(c(c1OC)OC)OC)[N+](=O)[O-]	1645
+c1cc(ccc1)C(Oc2cc(Cl)c(OCOC)c(C)c2)=O	1646
+c12-c3ccccc3NC(=S)n1nc(CO)c2	1647
+n1c(ccc2ncccc12)CO	1648
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)CO	1649
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)CO	1650
+Clc1cccc(c1)-c2onc(CO)c2	1651
+Clc1cccc(c1)-c2onc(CO)c2	1652
+c1cc(ccc1Oc2ccccn2)CO	1653
+C1CC1(C(=O)Nc2ccc(CO)c(Br)c2)c3cc4OCOc4cc3	1654
+C1CN2CCC1C(C(CCc3ccc(cc3)CO)(O)c4ccccc4)C2	1654
+c1(cc(CO)c(cc1Br)O)F	1654
+c1ccccc1CN(Cc2ccccc2)c3cccc(c3CO)[N+]([O-])=O	1655
+C(O)c1c(F)ccc(Br)c1F	1656
+c1ccccc1-c2c(ccc(c2)Br)CO	1657
+c1cc(ccc1CN(C(=O)CC(C(=O)NS(=O)(=O)C2CC2)=O)OC)F	1658
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COCC(N(OC)C)=O)c4	1659
+C1CC(CCO1)Nc2n3c(nc(N4CCCC4)c2)cc(C(=O)N(C)OC)n3	1660
+CC1(C)OC(C(O1)=O)=CC(=O)N(OC)Cc2cc(F)ccc2	1661
+Clc1cc(cc(Cl)c1CCC(NOC)C)Cl	1662
+c1cc(ccc1)CC(NC(c2c(-n3cc4ccccc4n3)nccc2)=O)C(O)C(=O)NOCC	1663
+c1c(I)cc(c(Nc2c(C(NOCC(O)C)=O)ccc3cncn23)c1)F	1664
+c1c(cc(c(Nc2c(c3c(cc2C(NOCCOC=C)=O)n(cn3)C)Cl)c1)Cl)Br	1665
+Clc1cc(cc(Cl)c1CCCNOC)Cl	1666
+c1cc(ccc1CNOC)OC	1667
+C1(=NO)c2c(c(F)ccc2)OCC1	1668
+FC(F)(F)COc1cc(c(C(CBr)=NOC)nc1)Cl	1669
+c1c(F)c(c(cc1)F)C(=NO)Cl	1670
+c1(cc(cc(Cl)c1CCC=NOC)Cl)Cl	1671
+c1ccccc1[Si](c2ccccc2)(N3C(CC3C=NOC)=O)C(C)(C)C	1672
+c1c([N+]([O-])=O)c(cc(c1)C(=O)OC)C=NOC	1673
+O=Cc1c(O)c(c(cc1)Br)F	1674
+CC(C)N1C(=O)c2cc(ccc2C(=N1)Br)O	1675
+O(c1ccnc(O)c1)C	1676
+FC(F)Oc1c(O)nccc1	1677
+Cc1c(c(c(cc1)C)Oc2cnnc(O)c2)C	1678
+c1cc(ccc1Cn2c3cccc(O)c3c4cccc(C)c24)F	1679
+FC(F)(F)c1cccc(-c2c(O)nc3ccc(cc3c2O)Br)c1	1680
+FC(F)(F)c1cccc(-c2c(O)nc3ccc(cc3c2O)Br)c1	1681
+c1cc2c(c(ncn2)O)nc1Cl	1682
+C(C)OP(OCC)(=O)COCCCOn1c2c(nc1)c(nc(NC=O)n2)Cl	1683
+c1cc(ccc1)C(c2ccccc2)N3C(=O)C(c4ccc(OCc5ccccc5)cc4O)c6c3cccc6	1684
+c1ccccc1-c2nn3ccccc3c2C=4C=CC(N(C5CC(=O)CCC5)N=4)=O	1685
+O=C(Cc1cc(c(-c2ccc(cc2F)F)cc1)F)Cl	1686
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(=O)Cl	1687
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)OCC(Cl)=O	1688
+c1ccccc1COCC(=O)N2CCCN(c3c(Cl)cc(Cl)cc3)CC2	1689
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc3ccccc23)NC4CCN(C(=O)Cc5ccccc5)C4	1690
+C1CN(CCC1)S(=O)(=O)c2ccc(c(COCC(=O)N3CCCC3)c2)Cl	1691
+C1CN(CCC1c2ccccc2)C(=O)C3C4(c5ccccc5CCC4)CN(C3)Cc6ccccc6	1692
+C1C(CC1)C(=O)N2CC(c3c4cccc5CCCn(c3)c45)C(c6c7c(cccc7)[nH]c6)C2	1693
+c1cc(ccc1)C2(c3ccccc3)CCN(C(CN4CCCC(c5ccc(cc5)F)(c6ccc(cc6)F)C4=O)=O)C2	1694
+c1nc(ncc1)N2CCN(CC2)C(Cn3c(Br)nc(Br)c3Br)=O	1695
+C1CN(CCN1C(CC2CC2)=O)S(=O)(=O)c3cccc4ccccc34	1696
+c1cc(ccc1)C2(c3ccccc3)CCN(C(CN4CCCC(c5ccc(cc5)F)(c6ccc(cc6)F)C4=O)=O)C2	1697
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2c3c(cccc3)c(cc2)CNC(=O)CC(F)(F)F	1698
+c12c(cccc1)nc(c3c2cccc3)CNC(=O)CCl	1699
+c1ccccc1CNC(COc2ccc(cc2)-c3c(c(CN4C(=O)CCC4=O)nc5c3c6CCS(=O)Cc6s5)Cl)=O	1700
+C1CC(CCO1)CNC(=O)Cc2csc(-c3c(n(C4CCCCC4)nc3)-c5ccc(cc5)F)n2	1701
+c1cc(c(c2C(C(=O)Nc12)=NNC(=O)Cc3ccc(c(Cl)c3)O)Cl)C(=O)O	1702
+c1ccccc1-c2ccc(cc2)OCCCC(=O)NO	1703
+c1(ccc(cc1Cl)NCC(=O)NO)Cl	1704
+FC(F)(F)C(N1CCc2cc(NC(=O)CCN3CCN(CC3)Cc4ccccc4)ccc2CC1)=O	1705
+c12nc(NC(=O)CN3C(N(c4c3cccc4)c5ccccn5)=O)ccc1CC6(c7cccnc7NC6=O)C2	1706
+c1ccccc1C2CCCN(C2=O)CC(=O)Nc3ccc(cn3)Cl	1707
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(=O)Nc4[nH]nnn4)c1	1708
+c1(c(sc(n1)NC(CCl)=O)C(=O)c2ccccn2)-c3occc3	1709
+C1CN(CCO1)C(COc2cc(ccc2)NC(=O)CCl)=O	1710
+c1c(F)c(c(cc1N2CCOCC2)F)NC(CC3CCC=C3)=O	1711
+c1cnccc1SCC(Nc2cccc(c2)-c3n4ncc(C(c5sccc5)=O)c4ncc3)=O	1711
+c1cc(ccc1-c2ccc(cc2)S(=O)(=O)OCC(Nc3cc(c(C(=O)O)cc3)O)=O)Cl	1712
+c12c(-c3c(c4c(cccc4)c(n3)O)C1)ccc(NC(=O)CCl)c2	1713
+c1cccnc1N2C(N(CC(Nc3cc4c(CC5(c6cccnc6NC5=O)C4)cc3)=O)CC2)=O	1714
+FC(F)(F)C(N1CCc2cc(NC(=O)CCN3CCN(CC3)Cc4ccccc4)ccc2CC1)=O	1715
+c1c(ccc(-c2oncc2CCC(OC)=O)c1F)F	1716
+C1CCCC1(c2cc(c(Cl)cc2)Cl)C(=O)CBr	1717
+CC(C)(C)OC(CC1(CC2c3c(C1CC2)cccc3)O)=O	1718
+CC(C)(C)OC(=O)Nc1c(NC(CC(=O)c2cccc(c2)-n3cncc3)=O)cc(C#Cc4ccc(cc4)F)cc1	1719
+Clc1cc(F)c(cc1)C(CC(OCC)=O)=O	1720
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N(C2CC2)C3CCN(CC3)C(CCN4CCC(CC4)O)=O	1721
+Fc1cccc(F)c1CCC(OCC)=O	1722
+c1c(ccc(-c2oncc2CCC(OCC)=O)c1F)F	1723
+c1cc(ccc1C2CN(CC(=O)N3CCNC(=O)C3)C(=O)C2)Cl	1724
+C1NCCN(CCNCCNC1)CC(=O)NCc2nc3c(c4ccccc24)cccc3	1725
+c1cc(ccc1)N2CCN(CC2)CC(=O)Nc3cccc(-c4cnc5c(n4)cccc5)c3	1726
+c1cc(ccc1C2(c3ccc(cc3)F)CCCN(C2=O)CC(=O)OCC)F	1727
+FC(F)(F)CNC(CNC(=O)c1sc(C2=NOC(C(F)(F)F)(C2)c3cc(Cl)c(c(Cl)c3)F)c4c1CCC4)=O	1728
+c1cc(ccc1)NCC(Nc2c(ccc(Cl)c2)C(=O)O)=O	1729
+FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)Br)ccc1Cl	1730
+C1CCCCC1n2ncc(c2-c3ccc(cc3)F)-c4scc(CC(=O)OCC)n4	1731
+C1CCCCC1n2ncc(c2-c3ccc(cc3)F)-c4scc(CC(=O)OCC)n4	1732
+O=S(=O)(NCc1cnccc1)c2cccc(c2)C=CC(Cl)=O	1733
+c1cc(ccc1)C=CS(=O)(=O)Nc2cc(ccc2)C=CC(NO)=O	1734
+c1c(cc(cc1)C=CC(=O)NO)NC(C=Cc2cc3OCOc3cc2)=O	1735
+c1ccccc1CS(=O)(=O)n2cc(C=CC(=O)NOC3OCCCC3)cc2	1736
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(NOC3OCCCC3)=O)=O	1737
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)NO	1738
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)NO	1739
+c1cc(ccc1)C=CC(=O)Nc2c(CCN3CCN(CC3)c4nsc5c4cccc5)cccc2	1740
+c1cc(ccc1CC(C=[N+]=[N-])=O)I	1741
+n1c(Br)ccc(c1)C2N(c3c(Cl)cccc3)N=C(C2)C(=O)Cl	1742
+c1cc(ccc1Cl)Sc2ccc(cc2)CCC(=O)Cl	1743
+c1ccccc1Oc2nccc(n2)C(=O)Cl	1744
+Clc1cc(cc(Cl)c1CN2CCC3(CCCCC3)C2=O)OCc4ccccc4	1745
+c1c(Cl)c(c(cc1Br)Cl)CN2CCC3(CCCCC3)C2=O	1746
+c1cc(ccc1CC(=O)N2C(CCC2)C(=O)Nc3ccc(cc3)Cl)N4CCOCC4=O	1747
+C1CN(CCN1c2ncnc(-c3ccc(cc3)F)c2)C(Nc4cnccc4)=O	1748
+C1CC1NC(=O)C(=O)C(Cc2ccccc2)NC(c3cccnc3-n4cc5ccccc5n4)=O	1749
+c1ccccc1CC(NC(C2N(C(=O)CC2)Cc3ccccc3)=O)C(=O)C(NCc4ccccn4)=O	1749
+C1CC1NC(=O)C(=O)C(Cc2ccccc2)NC(c3cccnc3-n4cc5ccccc5n4)=O	1750
+c1ccccc1CC(NC(C2N(C(=O)CC2)Cc3ccccc3)=O)C(=O)C(NCc4ccccn4)=O	1750
+FC(F)(F)c1cc2scc(N3CCN(CC3)CCC4(CC4)C(=O)NCCCn5ccnc5)c2cc1	1751
+c1cc(ccc1)CC(C(C(NC2CC2)=O)O)NC(c3c(-n4cc5ccccc5n4)nccc3)=O	1752
+c1ccccc1CN2C(CCC2=O)C(NC(Cc3ccccc3)C(C(NCc4ncccc4)=O)O)=O	1752
+C1CC1(C(=O)NC(CO)c2cc(Cl)ccc2)Nc3nc(ncc3Cl)Cl	1753
+CC(C)(C)OC(N1C(CC(C1)F)C(=O)NCc2ncc(c(-c3ccc(nc3)C(F)(F)F)c2)Cl)=O	1754
+FC(F)(F)c1cc(Oc2cc(ccc2)CN(C(NC3CCCCC3)=O)CCN4CCCCC4)ccc1	1755
+C1CN(CCO1)CCNC(=O)Nc2ccc3c(c2)ccc(n3)NC4CCc5c4cccc5	1756
+c1cc(ccc1NC(=O)NCCCl)-c2nc3n(ncc3)c(NCc4c(cc(cc4)Cl)Cl)c2	1757
+c1cc(ccc1)OC(NC2CC(CN(C2)C(=O)c3cccc(-c4occc4)c3)C(Nc5ccc(cc5)Cl)=O)=O	1758
+c1cc(ccc1)C(c2ccccc2)NC(c3c(O)nc(COCc4ccccc4)nc3)=O	1759
+c1cc(ccc1F)-n2ccc(n2)C(NC3CCN(c4nccn5c4nnc5)C3)=O	1760
+c1ccccc1COc2c(c(cc(OCc3ccccc3)c2)Oc4ccc(cc4)[N+]([O-])=O)-c5onc(C(=O)NCCF)c5	1760
+c1ccccc1-n2cnc(n2)C(NC3CN(c4nccn5ccnc45)CC3)=O	1761
+c1c2c(cc(c1)Cl)c(c[nH]2)CCNC(=O)c3noc(Cc4cccc(Cl)c4)n3	1762
+FC(F)(F)CNC(=O)c1ccc(cc1)C=O	1763
+FC(F)(F)c1cc(c(C(=O)NC2C(N)CCCC2)cc1)C3CC3	1764
+c1c(Cl)c(c(cc1)Cl)Cc2n(c3ccccc3n2)Cc4ccc(cc4)C(NCCCN5CCOCC5)=O	1764
+c1ccccc1CNC(c2cc(N3NC=C(C3=O)c4cccnc4)ncc2)=O	1765
+FC(F)(F)c1cc(C(NC2C(CN(CCNc3ncccn3)CC2)O)=O)ccc1	1766
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)Cl	1767
+C1CCCCN1S(=O)(=O)c2ccc(cc2)CNC(=O)c3ccn4nccc4c3	1768
+c1cc(ccc1N2C=CC=CC2=O)-n3cc(CNC(c4ccc5c(cc[nH]5)c4)=O)nc3	1769
+C1CCCC1(NC(=O)c2ccc3c(c2OCC4Oc5ccccc5OC4)cccc3)C(=O)OC	1770
+C1CN(CCC1CNC(=O)C2CCCCC2)S(=O)(=O)c3c4c(ccc3)cccc4	1771
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)Cl	1772
+C1CCCCN1S(=O)(=O)c2ccc(cc2)CNC(=O)c3ccn4nccc4c3	1773
+C1CSCCN1c2ncc(cc2)CNC(c3ccc(cc3)-c4cc(F)ccc4)=O	1774
+c1c(cc(c(Nc2c(C(NOCCOC=C)=O)ccc3cncn23)c1)F)Br	1775
+C1CC(CCC1(F)F)Oc2cc(c(C(=O)NS(=O)(=O)N3CCC3)cc2C4CC4)F	1776
+c1cc(ccc1)C2C(N3C(C4N(CCN(C4)C(Nc5n(-c6ccccc6)ncc5)=O)C3=O)=O)C2	1777
+c1ccccc1C(c2ccccc2)C(Nc3c(nc(COCc4ccccc4)nc3)O)=O	1778
+c1c(C(=O)Nc2c(ncnc2Cl)Nc3ccnc(Cl)c3)cc(F)cc1	1779
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC4OC(C)(C)OC4)n3	1780
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC4OC(C)(C)OC4)n3	1781
+CC(C)(C)OC(N1CCN(CC1)C(=O)Nc2noc3c2cccc3)=O	1782
+C1CCCCC1(C#Cc2ccc(cc2)C(C(=O)Nc3sccn3)CC4CCCC4)O	1783
+c1cc(ccc1[N+](=O)[O-])C(=O)Nc2scc(COc3ccc(cc3)CCCCn4ccnn4)n2	1784
+C1CC1C(Nc2cc(ccc2)-c3ccc(nn3)N4CCN(CC4)C5CC5)=O	1785
+FC(F)(F)c1cc(cc(c1)NC(=O)C2CC2)-c3cnco3	1786
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(Nc4c(F)cc(cc4)F)=O)C5CCCCC5	1787
+FC(F)(F)c1cccc(CC(=O)Nc2ccc(Br)cc2C(=O)OC)c1	1788
+FC(F)(F)c1ccc(cc1)C2c3ccc(F)cc3CCN2C(=O)Nc4ccc(cc4)F	1789
+FC(F)(F)c1ccc(cc1)C2c3ccc(F)cc3CCN2C(=O)Nc4ccc(cc4)F	1790
+C1CN(CCN1)C(=O)Nc2cc(Cl)c(Cl)cc2	1791
+FC(F)(F)c1ccc(cc1)C2c3ccc(F)cc3CCN2C(=O)Nc4ccc(cc4)F	1792
+FC(F)(F)c1ccc(c(O)c1)NC(Nc2ccccc2)=O	1793
+CC(C)(C)OC(N1CC(c2ccc(cc2)NC(OC3CCC(F)(F)CC3)=O)CC1)=O	1794
+c1cc(ccc1)COC(=O)Nc2ccc(c(c2)F)-n3nc(cc3)-c4ccccn4	1795
+c1cc(ccc1)CN2CCN(CC2)c3ccc4c(C(OC(=O)N4)=O)c3	1796
+C(Oc1noc(C(Nc2cc(Cl)c(F)cc2)=O)c1)CCBr	1797
+FC(F)(F)C(c1c(cccc1)NC(c2occc2)=O)O	1798
+c1ccccc1NC(c2cnc(cn2)N3CC(C3)Oc4cc(ccc4Br)F)=O	1799
+c1cc(ccc1C2CCC(CC2)C(OC(C)C)=O)NC(c3cc(Cl)c(Cl)cc3)=O	1800
+c1ncncc1Oc2cc(NC(c3cccc(Cl)c3)=O)cc(c2)Cl	1801
+Clc1cc(cc(Cl)c1C(=O)Nc2cc(Cl)ncc2F)Cl	1802
+c1cc(ccc1NC(=O)c2c(F)cc(F)cc2)C(=O)N3Cc4c(Cc5ccccc35)cccc4	1803
+c1ccccc1NC(=O)c2cccc(-c3ccnc4n3ncc4C(c5sccc5)=O)c2	1804
+FC(F)(F)Oc1cc(c(O)cc1)NC(=O)c2c(cncc2)Cl	1805
+c1ccccc1COc2ccc(Cl)cc2Cn3cc(NC(c4c(Cl)cccc4F)=O)cn3	1806
+FC(F)(F)c1c(c(-c2nc(sc2)NC(=O)c3ccc(cc3)Nc4ccccn4)ccc1)F	1807
+c1cc(ccc1)COC=2C(C=C(CNS(=O)(=O)c3ccccc3Cl)OC=2C(=O)O)=O	1808
+c1ccccc1-c2ccc(cc2)-c3c(CCC(OCC)=O)con3	1809
+c1cc(ccc1)C(c2ccccc2)CC(N3CCN(CC3)CC(=O)OCC)=O	1810
+O=C(CNC(=O)C=1C(=O)N(Cc2c(F)cccc2)n3cccc3C=1O)O	1811
+c1cc(ccc1C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5)COCC(=O)OCC	1812
+c1cc(ccc1C(=O)c2cc(CC(=O)O)ccc2)Cl	1813
+c1cc(ccc1C(=O)c2cc(CC(=O)O)ccc2)Cl	1814
+c1cc(ccc1)-c2c3c(no2)cc(cc3)CC(=O)O	1815
+c1cc(ccc1)-c2c3c(no2)cc(cc3)CC(=O)O	1816
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCC(=O)O	1817
+C1CN(CCN1C(=O)ON2C(CCC2=O)=O)Cc3ccc(Cl)cc3N4Cc5ncnn5CC4	1818
+c1cc(ccc1)COc2cccc(-c3nc(C(OCC)=O)cs3)c2OCc4ccccc4	1819
+c1cc(-c2cc3c(c(C(=O)NCC(=O)OCC)c2O)ncc(n3)-c4sccc4)cc(F)c1F	1820
+CC(C)(C)OC(=O)N1CC(CCC1)C(=O)c2cc(cc(Cl)c2)F	1821
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3ncc(-c4ncccc4)cc3	1822
+FC(F)(F)CCCOc1ccc(cc1)C(=O)C(F)(F)F	1823
+C1CN(CCN1c2cc(c(OCCCN3CCCCC3)cc2)F)C(=O)c4ccccc4	1824
+c1cc(ccc1)C(=O)N2CCN(CC2)C3(Cc4cccc(Cl)c4)c5ccc(cc5NC3=O)Cl	1824
+C1N(CC1N2CCN(CC2)C(=O)c3sccn3)C(=O)c4cc5CCN(c6ccc(cc6)F)c5cc4	1825
+FC(F)(F)c1ccc(cc1)NS(=O)(=O)c2cccc(C(=O)N3CCN4CCCCC4C3)c2	1826
+CC(C)(C)OC(N(c1ccncc1)CCOc2cc(cc(c2)Cl)C(=O)N(c3cccc(c3)F)CCCn4ncnn4)=O	1827
+C(c1ccc(O)c([N+]([O-])=O)c1)(N2CCOc3ccccc23)=O	1828
+C(c1ccc(O)c([N+]([O-])=O)c1)(N2CCOc3ccccc23)=O	1829
+c1(cc(cc(Br)c1O)C(N2c3c(nccc3)OCC2)=O)Br	1830
+c1c(F)cc(cc1C(=O)c2cc(c(F)cc2)C#N)F	1831
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)C(=O)OCC	1832
+Clc1cccc(c1)-c2onc(c2)C(=O)OCC	1833
+c1cc(ccc1)COc2cc(cc(Oc3ccc(cc3)[N+]([O-])=O)c2-c4onc(C(OCC)=O)c4)OCc5ccccc5	1834
+c1c(-c2ccc3OCOc3c2)ccc4C5C(=O)N(c6ncccc6)N=C5CCc14	1835
+O=S(=O)(C)c1ccc(C(C2C=NN(C2=O)CC)=O)c(C)c1OCCOC	1836
+c1cc(ccc1Cl)OCc2ccc(cc2)CNC3=C(Nc4ccncc4)C(=O)C3=O	1837
+FC(F)(F)c1ccc(cc1)CN2CCC(Br)C2=O	1838
+C1(=O)COCC(c2cc(ccc2)Br)(CO)N1	1839
+c1cc(ccc1)C2COCC(N2)=O	1839
+CC(C)(N1C(c2c(Cl)c(ccc2C1=O)F)O)c3ccccc3	1840
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)C3=NOC(N3)=O)OCC=C(Cl)Cl)Cl	1841
+N1C(C(c2c3c4n(c2)CCc4ccc3)=C(C1=O)c5c[nH]c6ccccc56)=O	1842
+c1cc(ccc1-c2cc(n3nccc3n2)NCc4c(cc(cc4)Cl)Cl)N5CCNC5=O	1843
+c1cc(ccc1NC(=O)C)N2CCNC2=O	1843
+C1CN(CCC1N2C(Nc3cc(Cl)ccc23)=O)C(=O)OCC	1844
+c1c(cc2c(C(=O)C(=O)N2)c1)Br	1845
+c1(-c2c(cccc2)F)c(cc3NC(Nc3n1)=O)-c4c(cncc4)F	1846
+FC(F)(F)c1c2N=C(N(c3c(Cl)cccc3)C(=O)c2ccc1)CCl	1847
+c1cc(ccc1-c2ccc(s2)C(=O)CCc3c(c(c(O)cc3)Cl)Cl)Br	1848
+C1CCCC1CCCC=O	1849
+c1ccccc1CN(CCCCCCOCCCc2ccccn2)CC(c3ccc(O)c(CO)c3)=O	1850
+C1CC(CCC1)N(CCCCCC=O)C(c2ccccc2)=O	1851
+c1c(ccc(c1Cl)Cl)CCCC=O	1852
+c1cc(ccc1)CON2C(=O)N3C(CCC2C3)C=O	1853
+O=C1c2ccccc2C(=O)N1CC3Cc4c(O3)c5c(CCC5)cc4	1854
+C1(c2c(C(=O)N1CC3COCC3)cccc2)=O	1855
+c1cc(ccc1[N+]([O-])=O)Cn2c3c(cc(Br)cc3)cc2C(=O)OCc4ccccc4	1856
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(OC)=O	1857
+FC(F)(F)Oc1ccc(cc1)-n2ncc3c2ccc4c3ccc(c4)C=O	1858
+c1ccccc1CN(Cc2ccccc2)c3nccc4c3[nH]c(C=O)c4	1859
+n1c(SCC(=O)NCC2CN(CCO2)Cc3ccc(c(c3)Cl)Cl)scc1C=O	1860
+Clc1cccc(c1)-c2onc(c2)C=O	1861
+n1n2CCOCc2cc1C=O	1861
+c1cc(ccc1)COc2c(ccc(C=O)n2)[N+]([O-])=O	1862
+c1cc(ccc1-c2cc3c(cc2Cl)[nH]cc3C=O)C4(CCC4)C(O)=O	1863
+c1ccccc1-c2sc3c(c(ccc3)C=O)n2	1864
+c1cc(ccc1Nc2c(cnc3c2cc(cc3)Cl)C=O)Cc4ccccc4	1865
+O=S(=O)(n1ccc2c1cccc2)c3cc(C=O)c(cc3)Br	1866
+Clc1ccc(c(C=O)c1)-n2nnnc2	1867
+c1ccccc1-c2cc(Br)ccc2C=O	1867
+c1ccccc1-c2cc(Br)ccc2C=O	1868
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)N=C=O	1869
+c1cc(ccc1F)COc2cc(c(N=C=O)cc2)F	1870
+CC(C)(C)OC(=O)N1CC(CS(Cc2ccc(cc2)F)=O)CC1	1871
+C1CC1COc2cc(ncc2)CS(c3nc4c(cc(F)cc4)[nH]3)=O	1872
+FC(F)(F)c1nn(-c2ccc(cc2)CNS(=O)(=O)C3CCCC3)c4c1CCCC4	1873
+FC(F)(F)S(=O)(=O)Nc1cc(OCc2nc3ccccc3cn2)ccc1	1874
+FC(F)(F)c1cc(c(cc1)S(=O)(=O)Nc2cc(Cl)c(c(c2)Cl)Sc3ccc4ccccc4c3)Cl	1875
+O=S(=O)(Nc1cccc2nccnc12)c3c([N+](=O)[O-])cccc3	1876
+c1ccccc1-n2nc3ncc(NS(=O)(=O)c4ccccc4)cc3c2	1877
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)-c3ccc(Cl)cc3CO2	1878
+C1COCCN1S(=O)(=O)c2cc(ccc2OC)F	1879
+c1cc(ccc1)S(=O)(=O)N2CC(c3cn4c5c(cccc35)CCC4)C(c6c[nH]c7c6cccc7)C2	1880
+CC(C)(C)OC(N1CC2CC(CC(C1)N2S(=O)(=O)c3ccc(cc3)Cl)=O)=O	1881
+O=S(=O)(C)c1ccc(C(=O)c2cnn(CC)c2OC(=O)SCC)c(c1OCCOC)C	1882
+O=S(=O)(C)c1ccc(C(=O)c2cnn(CC)c2OC(=O)SCC)c(c1OCCOC)C	1883
+CC(C)(C)Sc1ccc(c(c1)Cl)Cc2c3c(ccc(c3)C(NS(=O)(=O)CCCCC)=O)[nH]c2C	1884
+CC(C)(C)[Si](C)(C)OCCn1ncc(c1)-n2c3c(c(Sc4cccc(c4)C(OCC)=O)c2C)ccc(c3F)Cl	1885
+C1CCCCC1n2ncc(C(=S)N)c2-c3ccc(cc3)F	1886
+Clc1cc(cc(Cl)c1C2CC2)N=C=S	1887
+c1(nc2c(nc(Cl)c(C#N)c2)n1C)C	1888
+C1COCCN1C(c2ccc(OCc3c(noc3C)-c4ccncn4)nc2)=O	1889
+CN(C)C(=O)c1cn2c(nnc2c(NCc3c(cccc3CC)C)c1)C	1889
+C1CCCCN1C(c2cc(C)c(Nc3cnc(C)cc3)nc2)=O	1890
+FC1(F)CCCC(C1)CNC(=O)c2cc(n3cccc(Cl)c23)CCOC	1891
+c1ccccc1C(CO)NC(=O)c2cnc3c(cnn3CC)c2NC4CCOCC4	1891
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)c3cncc(C(=O)Nc4ccc(cc4)Cl)c3	1892
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(=O)OCC)Cl)CC#N	1893
+Cc1nccc(C)c1CCl	1894
+N1(c2c(C(=O)N(c3ccc(Cl)nc13)C)cc(CCl)cn2)CC	1895
+C1CN(CCC1N2CCCCC2=O)Cc3c(-c4ccccc4)nc5ccccc5c3C(OC)=O	1896
+c1(C(NCc2cc3c([nH]c(C(=O)OC)c3)nc2)=O)c(C)ccc([N+]([O-])=O)c1	1897
+CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12	1898
+CC(C)(C)Oc1ccc(CO)cn1	1899
+c1cc(ccc1OCc2cc3c(nc2)N(c4nc(Cl)ccc4N(C)C3=O)CC)O	1900
+O(c1c(Cl)ncc(CO)c1)C	1901
+O(c1c(cc(CC)c(C)n1)C=O)C	1902
+c1(ccncc1N2CCNC2=O)C	1903
+[nH]1c2c(c(NC(c3nccnc3)=O)c1)c(F)c(cn2)Br	1904
+FC(F)(F)c1cccc(c1)C(Nc2cc(c(C)nc2)I)=O	1905
+c1cc(ccc1Cn2c(cc(NCc3ccccc3)c2)C(=O)C)F	1906
+C1CN(CCN1c2ccc(cn2)Nc3ncc4scc(-c5cccc(C(NC6CC6)=O)c5)c4n3)CC	1907
+C1CN(CCN1c2ncc(cc2)Nc3nc4c(c(N)n3)scc4-c5cc(ccc5)NS(=O)(=O)C)CC	1908
+O=S(=O)(N1CC2(C(=O)c3ccccn3)C(=Cc4c(cnn4-c5ccc(cc5)F)C2)CC1)c6ccc(Cl)nc6	1909
+C1CCCCC1Oc2ccc(cc2)Cc3noc(c3)-c4ccc(N)nc4N	1910
+c1cc(ccc1F)-c2nc3n(c2)c(c(s3)C(N)=O)C	1911
+C1CCCCC1c2nc(c(C)o2)C(=O)Cl	1912
+Fc1cccc(F)c1COc2cccn3c2nc(C)c3C(=O)NCC(CC(C)C)(N)C	1913
+c1c(F)c(c(cc1)F)COc2c3n(c(c(C)n3)C(NC4Cc5c(cccc5)NC4)=O)ccc2	1914
+c1cc(ccc1F)CN2C(N(CC2)c3nc(c(C(=O)NCc4ccccn4)s3)C)=O	1915
+c1cc(ccc1CNC(=O)c2sc(nc2C)N)Cl	1916
+CN(C)c1nccc(-c2c(nc3n2cccc3)CN(C4CCCc5c4nccc5)C)c1	1917
+CN(C)c1nccc(-c2c(nc3n2cccc3)CN(C4CCCc5c4nccc5)C)c1	1918
+CN(C)c1nccc(-c2n3ccccc3nc2C=O)c1	1919
+FC(F)(F)c1ccc(cc1)CNc2nc(c(c(N)n2)NC(CC3CCCC3)=O)C	1920
+CC(C)OB(O)c1ccc2c(CCCC2)c1	1921
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(ccc(F)c3)F	1922
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(ccc(F)c3)F	1923
+CC1(C)OB(OC1(C)C)c2c(F)cc3c(c2)CCC(=O)N3C	1924
+c1c(cc(-c2ccc(cn2)C)c(Cl)c1)Br	1925
+c1cc(ccc1Oc2c(ccc(F)c2)F)I	1926
+c1cc(ccc1CCO)Nc2nc(C)cc(C)c2[N+]([O-])=O	1927
+CC(C)(C)OC(=O)C1CCN(CC1)c2c(C#N)cc(C(=O)OCC)c(n2)C	1928
+CC(C)c1n2c(nn1)c(ccc2C)C(OC)=O	1929
+Clc1ccc(CC)c(-c2c(C(=O)N)cc(-c3c(cnc(N)n3)Br)[nH]2)c1	1930
+FC(F)(F)Oc1ccccc1-c2cc(c(n2CC3OCCC3)C)C(=O)NC4CCCCC4	1931
+O=S(=O)(c1cc(C(Nc2ccc(c(Br)c2)F)=O)c(C)s1)Cl	1932
+CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1	1933
+c1cnc(C(=O)Nc2cc(c(-c3cccnc3)nc2N)-c4c(cncc4)F)cn1	1934
+c1cc(ccc1C(Nc2c3ccc(Br)cc3n(c2C(=O)OCC)Cc4cccc(Cl)c4)=O)Cl	1935
+c1cc(ccc1)-c2scc(n2)COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC	1936
+O=S1(=O)c2ccccc2-c3c(c4nccnc4cc3)N1	1937
+c1ccccc1-c2scc(COc3cccc4oc(cc34)-c5nc6n(c5)nc(OC)s6)n2	1938
+FC(F)(F)c1c([n+]([O-])c(cc1)Cl)Cl	1939
+C1CCCCC1(c2ccc(cc2)CNC(c3c(C)nc4ncccc4c3)=O)O	1940
+FC(F)(F)c1ccc(C(NC2CCC2)=O)c(O)n1	1941
+N#CCc1c(C)nccc1	1942
+O(c1c(CCl)cc(F)c(C)n1)C	1943
+O(c1c(CCl)cc(F)c(C)n1)C	1944
+c1(CCl)c(C)nccc1	1945
+c1cc(ccc1C(Nc2c(CNC(=O)C3NC(CC3)=O)cc(F)c(Nc4[nH]nc(c4)C5CC5)n2)C)F	1946
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(c3ccc(c(c3)F)CNS(=O)(=O)C)C	1947
+O(c1c(CO)cc(F)c(C)n1)C	1948
+c1ccccc1C=C2c3nc(C)c(cc3CCC2)C=O	1949
+C1CN(CCN1c2ccc(NC(c3cc(C#N)c[nH]3)=O)c(N4CCC(CC4)C)n2)C	1950
+O(c1c(c(cc(c1OC)OC)C)C(c2c(c(Br)cnc2OC)Cl)=O)C	1951
+O(c1cccnc1OCC(OC)=O)C(C)=O	1952
+O(CC(=O)OC)c1c(O)cccn1	1953
+O(CC(=O)OC)c1c(O)cccn1	1954
+O1CCOC1c2cnc(c(-c3nc(SC)nc(n3)C)c2)F	1955
+c1(ocnc1)-c2cc(ncc2)-c3c(C)ccnc3OC	1956
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2nccnc2C(Nc3ccc(cn3)C)=O)=O	1957
+C1CN(CCN1C(Nc2c(nc3c(ccc(F)c3)n2)OC)=O)c4cc(ccc4)C	1958
+CC(C)(C)Nc1nc(c(cn1)C(N)=O)SC	1959
+c1(c(NC)nc(SC)nc1)C=O	1960
+CC(C)(C)CN(C)c1c(c(ncn1)Nc2cc(C(NC)=O)ccc2C)NC(=O)C	1961
+O=S(=O)(NC1CCC(CC1)O)c2c(ccc(-c3cnc(N)nc3C)c2)Cl	1962
+n1c(-c2cccc(C(OC)=O)n2)cccc1CN	1963
+C1CC(CCN1c2c(ccc(C)n2)C#N)=CC#Cc3cc(F)cc(F)c3	1964
+CC(C)c1nc(N2CCNC(C)C2)c(C#N)c(-c3ccccc3)c1	1965
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1966
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1967
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	1968
+c1cc(ccc1-n2cccn2)-c3ccc(cc3)-c4nc5c(NC(=O)C5)cc4Cl	1969
+c1cc(ccc1)CCC=2C(=O)N(Cc3ccccc3)c4c(C=2)c(O)c(C(OC)=O)nc4-c5cnccc5	1970
+FC(F)(F)c1c(nc(cc1)Cl)Cl	1971
+FC(F)(F)c1c(nc(cc1)Cl)Cl	1972
+CN(C)c1c(C#N)ccc(Oc2cc3COB(c3cc2)O)n1	1973
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCN(C(CC(C)C)=O)C3)C(N)=N1	1974
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCN(C(CC(C)C)=O)C3)C(N)=N1	1975
+c1c2c(ccc1OC)C(C(=O)N2)=Cc3c(CCCO)c4c([nH]3)CCCCC4	1976
+C1CN(CCN1)c2c(F)cc3c(NC(=S)N3)c2	1977
+C1(Nc2cccc(c2OC1)CC=C)=O	1978
+C1(COc2c(c(F)c(cc2)CCCl)N1C)=O	1979
+c1nc(c2n1-c3c(c(ccc3)CC=C)OC2)C(=O)OCC	1980
+N#Cc1cc2c(CCCC2)c(c1OC)I	1981
+O(CCOC)c1cc(C(C#N)C(=O)C)ccc1OCCOC	1982
+O(CCOC)c1cc(C(C#N)C(=O)C)ccc1OCCOC	1983
+O(CCOC)c1cc(C(C#N)C(=O)C)ccc1OCCOC	1984
+FC(F)(F)C(c1cc2c(cc1F)OCC(N2C)=O)(C(C)c3ccc(Br)cc3Cl)O	1985
+C1CC(CCC12OCCO2)c3c(cc(OCOC)cc3)OCOC	1986
+C1CC(CCN1Cc2ccccc2)c3ccc(cc3)OC	1986
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C)cccc2F	1986
+CC(C)(C#N)c1cc(C)c(C(C)NC(=O)Cn2c3c(cccc3nc2)F)cc1	1987
+CC1(C)CCCc2cc(C(C)OC(C)=O)c(c(Br)c12)OC	1988
+c1cc(ccc1)COc2c(cccc2-c3ccccc3)C(c4cc(ccc4)-c5c(cccc5)OC)C	1989
+c1cc(ccc1C)C2c3c(cc(Br)cc3)CN(C2)C	1990
+CC(C)C(c1ccc(c(c1)[N+]([O-])=O)NC)n2cncc2	1991
+C(=NO)(C)c1c(C)cc(OC)c(C)c1	1992
+N(O)=C(CNC(C)=O)c1cccc2ccc(OC)cc12	1992
+Cc1c(OC)cc(c(C(C)=O)c1)C	1993
+c1c(cc(c(OC)c1C(C)=O)OC)Cl	1993
+COc1cccc(C(=O)C)c1Br	1994
+C1CCC(C1)CC(C(OC)=O)c2cc(c(SC)cc2)Cl	1995
+c1(C)cc(C(CNCCO)O)ccc1[N+]([O-])=O	1996
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(=O)CC(=O)c3cc(-n4ccnc4SCOC)ccc3)=O	1997
+CC(C)(C)OC(=O)Nc1c(cc(-c2cc(ccc2F)F)cc1)NC(CC(=O)c3cccc(C#N)c3)=O	1998
+FC(F)(F)c1c(cc(c(c1)NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)NC(=O)OC(C)(C)C)N4CCSCC4	1999
+c1cc(ccc1C(Cl)c2ccc3c(c2)c(cc(n3)O)-n4ccnc4)Cl	2000
+ClC(c1cc(C)c(cc1)[N+]([O-])=O)=NO	2001
+CC(C)COc1c(CCC(OCC)=O)cc(C(c2c(OCC(C)C)cc(OCC(C)C)cc2)N)cc1	2002
+NC(=O)c1cc2c(CCCC2)c(c1OC)I	2003
+c1cc(ccc1C(N)=O)-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C	2003
+CC(C)(C)OC(=O)c1ccc(cc1)CN2C(=C(c3ccccc3)c4c(ccc(C(=O)N)c4)C2=O)C(=O)OC	2004
+CC(C)(C)OC(c1ccc(cc1)N(c2cc(OC)c(cc2)C(N)=O)Cc3scnc3)=O	2004
+Cc1cc(cc(C)c1F)C(NCCc2ccc(cc2)C(C)C)=O	2005
+c1cc(ccc1C)C(Nc2cncc(Br)c2)C(N)=O	2006
+FC(F)(F)c1cc(C2(SCCCS2)C(O)c3cc(c(cc3)OC(F)F)C)ccc1	2007
+FC(F)(F)c1cc(cc(Cl)c1N)C(O)CN(Cc2ccccc2)CCCCCCOCCc3ncccc3	2008
+FC(F)(F)C(Oc1cc(nc(N)n1)Cl)c2c(cccc2)-c3cscc3C	2009
+c1c2c(OCCO2)cc(C(c3c(ccc(I)c3)Br)=O)c1	2010
+c1cc(ccc1F)CN2C(=O)C(=C(Cl)c3cc(C)ccc23)C#N	2011
+CC(C)c1cc2c(CCN=C2c3cc(C)c(c(c3)C)F)cc1	2012
+c1cc(ccc1C(Cl)=NO)C	2013
+CC1(C)OB(O)c2c1cc(C(=NO)Cl)c(F)c2	2014
+CC1(C)OB(O)c2c1cc(C(=NO)Cl)c(F)c2	2015
+C[Si](C)(C)c1cc(C(C(=O)c2cc(ccc2)Br)=O)ccc1	2016
+c1c(c(C(Cl)=O)cc(-c2nnn[nH]2)c1)OC	2017
+FC(F)(F)C=1N(C)C(=O)N(c2cc(c(Cl)cc2F)C(=O)Cl)C(=O)C=1	2018
+c1cc(ccc1-c2ccc(cc2)C(Cl)=O)OCCCCl	2019
+c1cc(ccc1C(Cl)=O)OCC#CC	2019
+c1ccccc1CC(NCCc2c3c(ccc2)ccc(c3)C(=O)Cl)=O	2020
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	2021
+COc1c(C(Cl)=O)c(ccc1)CCCCCCCCCCCCCCC	2022
+C1CCCC1Oc2cc(C(=O)Cl)ccc2SC	2023
+CC(C)(C)c1c(c(cc(c1)C(=O)Cl)C#N)OC	2023
+CC(C)N1C(C(Oc2cc(C(Cl)=O)ccc12)CC)=O	2023
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	2024
+C1CN(CCN1C(=O)c2c(cc(cc2)Br)S(=O)(=O)C)c3ncc(cc3C4CC4)C5CC5	2025
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(c3cc(S(=O)(=O)C)ccc3SCC)=O	2026
+C1CC1OC2CC(CO)N(C(c3cc(c4c(c3)nc(NCc5nccc(Cl)c5)o4)OC)=O)C2	2027
+C1CN(CCC1C(=O)N2CCN(CC2)C(c3ccc(cc3)C#N)=O)c4ccncn4	2028
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCCl	2029
+C1CC1OC2CC(CO)N(C(c3cc(c4c(c3)nc(NCc5nccc(Cl)c5)o4)OC)=O)C2	2030
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCCl	2030
+CC(C)(C)OC(C(C)(C)Sc1nc(CCOc2ccc(-c3ccc(cc3)F)cc2C(N4CCOCC4)=O)cs1)=O	2030
+C1C2CC1N(C2)C(=O)c3ccc(c(F)c3)Oc4cc(cc(c4)OC(C)CO)C(=O)Nc5nn(C)cc5	2031
+C1CC2(CCN1C(=O)c3cc(OC)c4c(n(C5CC5)cc4)c3)Oc6ccc(-c7cc(ccc7)C(O)=O)cc6C(=O)C2	2031
+C1CN(CCO1)C(=O)c2ccc(cc2)Nc3c4n(ccn4)cc(Br)n3	2031
+C1C(CC1)N(C)C(c2cc(ccc2OC)Oc3c(cc(cc3Cl)COC)Cl)=O	2032
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)NCC3CC3	2033
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2nc3c(o2)cc(cc3)C(N(C)C)=O)cc1)C	2034
+c1(I)ccc(C)cc1C(=O)N2C(C)CCCC(COc3ccc(c(C)c3)F)C2	2035
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3CCc4nncn4-c5c3cccc5	2036
+C1N(C(=O)c2c(cc(I)cc2)OC)c3c(Cn4c1ccc4)cccc3	2037
+c1cc(ccc1-c2cccc(C)c2)C(N3Cc4cccn4Cc5ccccc35)=O	2038
+CC(C)(C)c1cc(C(=O)N2c3ccccc3SC2)cc(C#N)c1OC	2039
+CC(C)(C)c1cc(C(=O)N2c3ccccc3SC2)cc(C#N)c1OC	2040
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3CCc4nncn4-c5c3cccc5	2041
+C(C)C(CC)(c1cc(c(C#CC2(CCCC2)O)cc1)C)c3cc(c(C(NC(C)(C)C(OC)=O)=O)cc3)C	2042
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	2043
+C1CN(CCN1CCNC(=O)c2c(OC)c3c(c(Br)c2)cccc3)c4c(c(Cl)ccc4)Cl	2044
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	2045
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	2046
+c1cc(ccc1NS(=O)(=O)C)C(NCCN2CCSCC2)=O	2046
+C(c1ccc(C)nc1)NC(=O)c2cc(cc(c2)-c3ccc(cn3)C)Br	2047
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	2047
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)C(NCCOc3cc(ccc3)C#N)=O)=O	2047
+CC(C)(C)OC(N(C)C1c2c(C(c3ccc(c(Cl)c3)Cl)CC1)ccc(C(=O)NC4CC4)c2)=O	2047
+CC(C)(C)ON=C1c2c(OC(=C1)c3ncn4c(c3)ccc4)ccc(c2)C(=O)NCCN5CCOCC5	2047
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(=O)NCCC(=O)OC	2047
+Nc1c2c(CCCN2C)c(cc1C(NC3CCCCC3O)=O)Br	2047
+O=C(Nc1cc(ccc1C)C(NCc2cccc(Cl)c2)=O)c3cc4cc(OC)c(OC)cc4nc3O	2047
+c1cc(ccc1)C(N(S(=O)(=O)c2ccc(cc2)Cl)Cc3ccc(cc3)C(=O)NCCCOC)CC	2047
+c1cc(ccc1)OCC(Nc2ccc(cc2)C(=O)NCCC(OCC)=O)c3oc4c(cccc4)c3C	2047
+c1cc(ccc1-c2c(C)ccc(NC(=O)c3ccoc3)c2)C(=O)NCCCN4CCOCC4	2047
+c1cc(ccc1C(=O)NCCC(=O)OC)C(=O)CCC	2047
+c1cc(ccc1CCNC(=O)c2cc(-n3cnnn3)cc(-c4ncccc4OC)c2)F	2047
+c1cc(ccc1CN2c3c(C(=O)N(C2=O)Cc4ccc(cc4)C(NCC5COC5)=O)cccc3)C	2047
+n1cc(cnc1C)C(NC(=O)c2cc(-c3ncc(C)cc3)cc(OC)c2)C	2047
+C1CC(CCO1)NC(=O)c2c(Oc3ccc([N+]([O-])=O)cc3F)cc4cnn(C5OCCCC5)c4c2	2048
+FC(F)(F)c1cc(SC)c(C(=O)NC2(c3ccccc3)CCCN(C(=O)OCc4ccccc4)C2)c(OC)c1	2049
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	2050
+C1CC1NC(=O)c2cc(C=3C(=O)N(C)c4nc(ncc4C=3)SC)c(C)cc2	2051
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	2052
+c1(F)cc(cc(F)c1)CC(C(CNCc2cccc(OC)c2)O)NC(c3cc(cc(c3)C(=O)N(CCC)CCC)C)=O	2053
+FC(F)(F)c1cc(SC)c(C(=O)NC2(c3ccccc3)CCCN(C(=O)OCc4ccccc4)C2)c(OC)c1	2054
+c1cc(ccc1C(=O)NN=C2c3cc(I)ccc3NC2=O)NC(CCCCC)=O	2055
+c1cc(ccc1C(NN)=O)CCCCCCCCCCCC	2056
+c1ccccc1C(Nc2ccc(cc2)Cc3cn(C)c4ccc(C(=O)NO)cc34)=O	2057
+C1CC(CCC1)c2c3ccc(C(=O)NS(=O)(=O)C4CC4)cc3n5CC(C(=O)OC)=Cc6cc(OC)ccc6-c25	2058
+C1CC1c2c(cc(c(c2)C(NS(=O)(=O)C3CC3)=O)F)OCC4CCN(CC4)S(=O)(=O)C	2059
+C1CN(CCN1CC)c2cc(C#N)c3c(C(N(c4cc(ccc4C)C(=O)Nc5ccon5)C=N3)=O)c2	2060
+C(C)c1cccc(CC)c1C(=O)Nc2sc(nn2)C(CC)(CC)C	2061
+c1cc(ccc1Oc2cc(cc(C(Nc3sccn3)=O)c2)OC4C(=O)N(C)CC4)-c5oc(C)nn5	2062
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnc(cc2)NC(N3CCCC3)=O)F)CCC	2063
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnc(cc2)NC(N3CCCC3)=O)F)CCC	2064
+c1cc(cc([N+]([O-])=O)c1SC)C(Nc2cnc(cc2)-c3ccccc3F)=O	2065
+c1cc(ccc1OCCCCCC)C(Nc2c(cccc2)Oc3cccc(OC(c4[nH]nnn4)C)c3)=O	2066
+C1CC1c2cc(c(cc2)F)NC(c3cc4c(nc(Nc5c(cccc5Cl)Cl)[nH]4)c6c3OC(C)(C)C6)=O	2067
+c1cc(ccc1N2CCN(CC2)Cc3cccc(C#N)c3)NC(=O)c4cccc(c4-c5ccc(cc5)C(C)C)C	2067
+FC(F)(F)c1cc(ccc1-n2cnc(c2)C)C(Nc3ccc(C)c(c3)NC(c4csc5c4ncnc5NC6CC6)=O)=O	2068
+FC(F)(F)c1c(ccc(NC(=O)c2c(CCCCCCCCCCCCCCC)cccc2OC)c1)C#N	2069
+c1cc(ccc1OCCCCCC)C(Nc2c(cccc2)Oc3cccc(OC(c4[nH]nnn4)C)c3)=O	2069
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(Nc4ccccc4)=O)CNC(C)=O	2070
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(OC)=O)CNC(=O)NC	2070
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc3c(nc(o3)-c4cccc(c4)NC(=O)c5cccc(c5)N(C)C)n2	2071
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3Cc4cccn4Cc5c3ccs5	2071
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(F)ccc2C(=O)Nc3c(cccc3)C(Nc4ccc(Cl)cn4)=O	2072
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(F)ccc2C(=O)Nc3c(cccc3)C(Nc4ccc(Cl)cn4)=O	2073
+Clc1cncc(Cl)c1NC(c2ccc(SC)c(OC3CCCC3)c2)=O	2074
+c1cc(ccc1C#N)NC(c2ccc(OC)cc2[N+]([O-])=O)=O	2074
+c1ccccc1NC(=O)c2c(Cl)cccc2C	2074
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(OCc2nnn(Cc3ccccc3)c2)=O	2075
+c1cc(ccc1)CN2CCC(OC(=O)c3cc(c(cc3)[N+]([O-])=O)OC)C2	2076
+O=C1CCC(=O)N1OC(=O)c2c(OCCCN=[N+]=[N-])ccc(c2)C(=O)C	2077
+FC(F)(F)c1ccc(cc1)C(c2c(c3C(CC(C)(C)Oc3cc2C(C)C)=O)C4=CCCCC4)=O	2078
+C1COCCN1CCn2c(C)c(c3ccc(cc23)Cl)C(=O)c4c5c(cccc5)c(cc4)C	2079
+O=S1(=O)CCN2CCCC(c3ccc(cc3)Oc4ccc(F)c(C)c4)C2=N1	2080
+c1cc(ccc1C(=O)OC)C2C=CC=[N+]([O-])C2=O	2081
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4cccc(C)c4	2082
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4cccc(C)c4	2083
+FC1(F)CCC2(CC1)C(=C(C(N2)=O)c3c(C)ccc(c3)-c4cc(c(Cl)cc4)F)O	2084
+CC(C)(C)c1cccc(C2=NN(C(C2=CN)=O)c3sc4c(cccc4)n3)c1	2085
+CC(C)(C)c1cccc(C2=NN(C(C2=CN)=O)c3sc4c(cccc4)n3)c1	2086
+c1(c(c(ccc1C)Cl)Nc2ccccc2C3=NNC(=S)O3)Cl	2087
+FC(F)(F)C1(CC(=NO1)c2ccc3c(C(C)(C)OB3O)c2)c4c(c(c(c(c4)Cl)F)Cl)F	2088
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(cc3)C	2089
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(cc3)C	2090
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	2091
+FC(F)(F)C1(CC(=NO1)c2ccc3c(C(C)(C)OB3O)c2)c4c(c(c(c(c4)Cl)F)Cl)F	2092
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	2092
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	2093
+c1cc(ccc1F)CCc2c(cc(CBr)cc2)C(OC)=O	2094
+c1cc(ccc1C)-c2oc(C)c(n2)Cc3cccc(CBr)c3	2095
+C(Br)c1cc(c(Cl)cc1F)OC	2096
+C(Br)c1cc(cc(C)c1OC)Br	2097
+CC(C)c1cc(cc(C(C)C)c1CBr)C(C)C	2098
+Fc1cc(CBr)c(F)cc1Cl	2099
+C1CN(CCN1c2ccc(c(Cl)c2)CBr)CC	2100
+FC(F)(F)c1cc(CBr)c(cc1)Oc2cccc(c2)C(C(=O)O)C	2100
+N#Cc1cc(F)c(cc1F)CBr	2100
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CBr)cc1)Br)CC	2100
+c1c(c(Cl)cc(c1)CBr)OCC=C	2100
+c1cccc(CCCCCCCCC)c1CBr	2100
+O=S(=O)(N)c1c(c(SC)cc(CBr)c1)Cc2ccccc2	2101
+C(c1ccc(OCC)cc1C)Br	2102
+C(c1cccc2ccc(OC)cc12)C#N	2103
+C(OC)COc1c(OCCOC)cc(cc1)CC#N	2104
+c1(cc(CC#N)cc2c1OCO2)OC	2104
+C(c1cccc2ccc(OC)cc12)C#N	2105
+c1(cc(CC#N)cc2c1OCO2)OC	2105
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCc3cc(CC#N)ccc3	2105
+C(C#N)c1cc(c(Cl)cc1F)OC	2106
+C(C#N)c1cc(c(Cl)cc1F)OC	2107
+C(OC)COc1c(OCCOC)cc(cc1)CC#N	2107
+Cc1cccc(C)c1COc2cccc(CC#N)c2C	2107
+Clc1cc(c(Cl)c(CC#N)c1)OC	2107
+FC(F)(F)COc1c(F)ccc(CC#N)c1	2108
+CC(C)c1c(CC(O)=O)cc2OCOc2c1	2109
+O(C)c1cc(cc(OC)c1OC)CC(=O)O	2110
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN(c3ncccn3)C	2111
+c1cc(ccc1CC2SC(NC2=O)=O)OCCN(c3nc4ccccc4s3)C	2111
+CC(C)(C)NC(=O)Oc1ccc(cc1)CCOc2ccc(cc2)CC3SC(NC3=O)=O	2112
+c1cc(ccc1Cl)CCC(=O)C2(CC2)Sc3ccccc3	2113
+C(CO)Cc1c(CC#N)cccc1	2114
+c1cc(ccc1)C(CCc2ccc(cc2)C(=O)O)=O	2115
+c1cc(ccc1C(CCc2cc(OC)c(cc2)O)=O)O	2116
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CC[N+](=O)[O-]	2117
+c1c(c(CC)c(Br)cc1)CC[N+](=O)[O-]	2117
+c1c(c(c(F)cc1)C)CC[N+](=O)[O-]	2117
+C1CN(CCC12OCCO2)CCc3c(OC)cc4cccnc4c3	2118
+C1CN(CCC12OCCO2)CCc3c(OC)cc4cccnc4c3	2119
+c1cc(ccc1CCC(NCCc2cc(OC)cc(OC)c2)=O)F	2120
+FC(F)(F)C(=O)NCCc1c(c(ccc1)Br)CC	2121
+FC(F)(F)C(=O)NCCc1c(c(ccc1)Br)CC	2122
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CCN	2123
+c1c(c(CC)c(Br)cc1)CCN	2123
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3cc(ccc3C)CCN)n2)=O	2124
+FC(F)(F)COc1cc(ccc1F)CCN	2124
+FC(F)(F)COc1cc(ccc1F)CCN	2125
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CCN	2126
+c1c(OC)cc(cc1CCN)OC	2126
+c1c(c(CC)c(Br)cc1)CCN	2126
+c1cc(ccc1CC=O)-c2ccc(cc2)C#N	2127
+COc1cc2c(cc1CC=O)nccc2	2128
+c1(c(c(CC=O)ccc1)OC)OC	2128
+C1CC(CCC1)c2cc(c(cc2)CCCC(=O)O)OC	2129
+FC(F)(F)c1ccc(cc1)-c2sc(CCCc3cc(C)c(OCC(=O)OCC)cc3)c(C)n2	2129
+c1cc(ccc1CCl)-c2nc(COC(c3ccccc3)=O)sc2	2130
+c1c(OC)c(Cl)ccc1CCl	2131
+c1c2c(cc(c1)CCl)N(c3c(nccn3)S2)COC	2132
+c1c(CCl)c2c(ccc(OC)c2)cc1	2133
+c1(cc(cc2c1OCO2)CCl)OC	2134
+COc1cc(cc(OC)c1Cl)-c2cc(CCl)ccn2	2135
+c12cc(ccc1cc(CCl)cc2)C	2135
+COc1cc(cc(OC)c1Cl)-c2cc(CCl)ccn2	2136
+c1cc(ccc1CCl)-c2[nH]c3ncnc(NCc4ccc(nc4)OC)c3c2	2137
+c1cc(ccc1C)S(=O)(=O)Oc2c(ccc(CCl)c2)OC	2138
+C(OC)COc1ccc(CCl)cc1OCCOC	2139
+Cc1c(COc2ccc(cc2OC)CCl)nc(-c3cc(ccc3)C#N)o1	2140
+Cc1cc(cc(C)c1Nc2nc3cc(cc([N+]([O-])=O)c3s2)CCl)C	2141
+C1CC1C(Oc2cccc(c2)CCl)C	2142
+CC(C)(C)c1cc(c(OCc2ccccc2)cc1)CCl	2143
+CC(C)(C)[Si](C)(C)Oc1c(OC)ccc(c1)CCl	2144
+c1cc(ccc1N(Cc2ccc(cc2)C#CCCCCCCCC)C(=O)C)C=CC(=O)OCC	2145
+FC(F)(F)c1ccc(-c2c(ccc(CC(=O)OC)c2)OC)c(CN(C(=O)C)CC(F)(F)F)c1	2146
+C1CC1C(N(CC)Cc2c(ccc(F)c2)-c3c(OC)ccc(CC(OCC)=O)c3)=O	2147
+c1cc(ccc1)CNC(=O)N(CC)Cc2c(ccc(-c3cnc(OCC)cc3)c2)-c4cc(CC(OCC)=O)ccc4OC	2148
+CC(C)(C)OC(=O)N(Cc1cc([N+]([O-])=O)c(cc1)OC)C	2149
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)C(OCC)OCC	2150
+C[Si](C)(C)c1ccc(cc1)CN(CCc2cc(ccc2)C(F)(F)F)C(=O)c3c4[nH]ccc4cc(Cl)c3F	2151
+CC(C)(C)OC(=O)NCCN(C(=O)c1ccc(cc1)F)Cc2ccc(c(OC)c2)OCc3ccccc3	2152
+c1ccccc1COC(NC2CCN(C3CCC(N(Cc4ccc(cc4)OC)C)CC3NC(C)=O)C2=O)=O	2153
+c1cc(ccc1)OCCC2(CCN(CC2)Cc3cc(c(cc3)OCC=C)Cl)C(OCC)=O	2154
+C1CN(CCN1c2cc(ncn2)O)Cc3ccccc3C	2155
+c1c(F)cc(cc1CC2NC(OC2C3N(Cc4ccccc4C3)Cc5ccc(cc5)OC)=O)F	2155
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	2156
+C1CN(CCN1c2ncccc2)Cc3cc4ccc(C)cc4cc3	2156
+c1cc(ccc1CN2CC(C2)C(=O)O)-c3onc(-c4cc(C#N)c(OC(C)C)cc4)n3	2157
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	2158
+C1CN(CCO1)Cc2cc([N+](=O)[O-])c(cc2)[N+](=O)[O-]	2159
+C1CN(CCO1)Cc2cc(c(Br)cc2)F	2159
+C1CCN(C1)Cc2ccc(cc2)NC(=O)c3ccc(Cc4cc(cc5c4oc(C(C)C)c5)Cl)o3	2160
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	2160
+C1CN(CCN1c2ncccc2)Cc3cc4ccc(C)cc4cc3	2160
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cccc(CN(C)C)c4)nc12	2160
+c1cc(ccc1)OCCC2(CCN(CC2)Cc3cc(c(cc3)OCC=C)Cl)C(OCC)=O	2160
+c1cc(ccc1SC)CN2CCN(CC2)CCO	2160
+c12ccc(cc1CCN(C2)Cc3ccc(OCC)cc3C)C(C)NC(C)=O	2161
+c12ccc(cc1CCN(C2)Cc3ccc(OCC)cc3C)C(C)NC(C)=O	2162
+c1cc(ccc1F)C(c2ccc(cc2)F)C3C(CCN(Cc4c(OC)c(cc(Br)c4)Br)C3)=O	2163
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CN3CCCC3=O)cc1)Br)CC	2164
+C1CCC1N(Cc2ccc(cc2)N3CCN(CC3)C(C)=O)S(=O)(=O)Cc4ccccc4	2165
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)CN2CCOc3ccc(cc23)C=O	2166
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(OC)=O)CN3C(=O)c4ccccc4C3=O)[N+]([O-])=O	2167
+FC(F)(F)c1c(c(CN2C(C(=CN(C2=O)c3ccc(cc3)N4CCOC4=O)C#N)=O)ccc1)C	2168
+FC(F)(F)C1(CC1)C(=O)NCc2cc(F)c(c(c2)[N+](=O)[O-])Cl	2169
+FC(F)(F)c1c(Nc2ccc(cc2)CNC(=O)C3(CCOC3)NC(=O)c4cc(cnc4)N)ccc(OC)c1	2169
+c1cc(ccc1C(NCc2c3c(nc(cc3)NCc4oc(C)cc4)ccc2)=O)F	2170
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	2171
+C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N	2172
+c1ccccc1COC(NC2CCN(C3C(CC(CC3)NCc4ccc(cc4)OC)NC(C)=O)C2=O)=O	2173
+c1cc(ccc1)-c2nc3c(cc(OC)c(c3)CNC4C(NCCC4)c5ccccc5)s2	2174
+O=S(=O)(Nc1ccc(cc1)CNC2c3ncccc3CCC2)c4ccccn4	2175
+c1cc(CNC)cc([N+]([O-])=O)c1OC	2175
+c1cc(ccc1)-c2nc3c(cc(OC)c(c3)CNC4C(NCCC4)c5ccccc5)s2	2175
+CCCN(CCC)CCCCN1CCc2c(ccc(CNCc3n(ccn3)C)c2)C1	2176
+C1CC1NCc2c(Cl)ccc(c2)CCNC(C)=O	2177
+CCCN(CCC)CCCCN1CCc2c(ccc(CNCc3n(ccn3)C)c2)C1	2177
+FC(F)(F)c1ccc(cc1)CNCc2cc(ccc2Br)OC	2178
+c1ccccc1CCNCc2cc(OC)ccc2OCCCN(C)C	2179
+FC(F)(F)C(CC)(O)c1nnc(o1)NCc2ccn3c(cc(C(OCC)=O)c3-c4ccc(cc4)F)c2	2180
+c1cc(ccc1)Oc2ncccc2NCc3c(O)cccc3	2181
+c1(cc(C)c(OC)c(c1)CNc2c(c(ccc2F)O)F)-c3cc(F)ccc3	2182
+c1c2c(cc(c1)CNc3c4ccccc4nc(c3)C)N(c5c(nccn5)S2)COC	2183
+CC1(C)C(C)(C)OB(O1)c2c(CNc3ccccc3)ccc4ccccc24	2184
+CC1(C)OB(OC1(C)C)c2c(CNc3ccccc3C)cccc2C	2184
+c1cc(c(CNc2cc(c(Cl)cc2)NC3=C(C(=O)CCC3)C)cc1)C	2185
+ClC(Cl)=C(Cl)c1cc(CN=[N+]=[N-])cc(C)c1	2186
+[N-]=[N+]=NCc1ccc(c(c1)F)C#N	2187
+c1cc(ccc1Oc2cc(ccc2)CN)OC	2188
+CC(C)(C)OC(N1CCC(CC1)Nc2ccccc2CN)=O	2189
+C(c1cc(C#N)cc(-c2onc(n2)-c3ncccc3)c1)N	2190
+c1ccccc1COc2cc(COC3OCCCC3)ccc2I	2191
+c1(Cl)cncc(Cl)c1COC2OCCCC2	2192
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(Br)cc(c3OC)C)=O	2193
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(Br)cc(c3OC)C)=O	2194
+C[Si](C)(C)CCOCOc1c2ccccc2cc(c1)COC3C(c4ccc(cc4)F)CCN(C3)Cc5ccccc5	2195
+c1c(C)c(c(cc1COC)C)Oc2nc(cc(NC(CC)CC)c2C)C	2196
+Cc1cccc(C)c1-c2c(C)c(COS(=O)(=O)C)ccc2	2197
+CC(C)(C)OC(COc1ccc(cc1COS(=O)(=O)C)Cl)=O	2198
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1OCCCCCCC)Br	2199
+c1cc(ccc1OCC)COc2cc(C=O)ccc2	2200
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4nc(-c5cc(C#N)ccc5)oc4C)cc3)OC)n2	2201
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4nc(-c5cc(C#N)ccc5)oc4C)cc3)OC)n2	2202
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4nc(-c5cc(C#N)ccc5)oc4C)cc3)OC)n2	2203
+O(Cc1c(Cl)ccc([N+]([O-])=O)c1)c2cccnc2	2204
+CC(C)(C)OC(N1CCCC(c2cc(-c3c(cccc3O)OCc4ccc(cc4)C)nc(N)n2)C1)=O	2205
+C1CC(CCC1)Cn2c3cc(c(F)cc3nc2-c4c(OCc5ccc(cc5)OCC(OC)=O)cc(Cl)cc4)F	2206
+c1cc(ccc1-n2ccc3ccccc23)OCc4ccc(cc4)C#N	2206
+C1CC(CCC1)c2ccc(cc2C#N)COc3ccc4c(c5CCC(c5[nH]4)CC(OCC)=O)c3	2207
+c1cc(ccc1COc2cc(I)cc(Br)c2)OC	2207
+CC(C)(C(=O)OCC)c1ccc(cc1)OCc2ccccc2C(OCC)=O	2208
+C1CC(CCC1)c2ccc(cc2C#N)COc3ccc4c(c5CCC(c5[nH]4)CC(OCC)=O)c3	2209
+c1(c(cc(C#N)c(c1)F)F)COc2cc(c(Cl)cc2)Cl	2210
+c1(c(cc(C#N)c(c1)F)F)COc2cc(c(Cl)cc2)Cl	2211
+CC(C)(C)OC(NC(C(=O)N(c1ccc(cc1)OC)C)Cc2cccc(CO)c2)=O	2212
+C1CC(CCC1)c2ccc(cc2C#N)CO	2213
+CC(C)(C)CN1C(N(C)c2nc(-c3c(C)ccc(CO)c3)ccc12)=O	2213
+C1CC1C(Oc2cc(ccc2)CO)C	2214
+CC(C)(C)OC(=O)N(C)Cc1cn(S(=O)(=O)c2cnccc2)c3c1ccc(c3)CO	2214
+Cc1cc(cc(C)c1Nc2nc3cc(cc([N+](=O)[O-])c3s2)CO)C	2214
+FC(F)(F)c1cc(CO)cc(-n2nnnc2C)c1	2214
+c12c(cc(cc1sc(Br)n2)CO)F	2214
+c1c(cc2c(OC(C)C(=O)N2)c1)CO	2214
+c1cc(ccc1F)CCc2ccc(cc2C(OC)=O)CO	2214
+c1c(OC)c(c(cc1-c2nccc(CO)c2)OC)Cl	2215
+CC(C)c1cccc(C(C)C)c1CO	2216
+Nc1cc(c(CO)cc1Cl)OC	2216
+c1c(OC)c(Cl)ccc1CO	2216
+FC(F)(F)c1cc(cc(c1)COS(=O)(=O)C)-n2c(C)nnn2	2217
+FC(F)(F)c1c(C)nc(cc1)Oc2cccc(CP(OCC)(OCC)=O)c2	2218
+C1CN(CCN1c2ccc(CSc3nc(C)cc(O)n3)c(Cl)c2)CC	2219
+C1CN(CCN1c2ccc(CSc3nc(C)cc(O)n3)c(Cl)c2)CC	2220
+C1CC(CCN1C)c2nc(nc(c2C#N)O)SCc3cc(C)ccc3C	2221
+c1cc(ccc1Cc2c(C)cc(cc2)OC)C	2222
+c1ccccc1CN2CCCc3c2cc(Cc4c(C(C)C)ccc(Br)c4)cc3	2223
+c1cc(ccc1)Cc2cc(OC)c(c(c2)Br)OCCOC	2224
+CC(C)(C)OC(Nc1cc(C)c(c(C)c1)Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)=O	2225
+c1cc(ccc1Cc2ccccc2OCc3ccccc3)SC	2225
+c1(ccc(Br)c(Cc2cc3c(OCCO3)cc2)c1)I	2226
+c1(ccc(Br)c(Cc2cc3c(OCCO3)cc2)c1)I	2227
+O(c1c(Cc2cc3c(s2)cccc3)cc(Br)c4c1cccc4)C	2228
+FC(F)(F)Oc1ccc(cc1)Cc2cc(ccc2Cl)Br	2229
+c1(cc(cc(OC)c1OC)Cc2ccc(cc2)OC)OC	2229
+C1COCCN1c2cc3c(nc(C)n3Cc4cccc(C)c4F)c(C(=O)OC)c2	2230
+FC(F)(F)c1c(c(Cn2c(nc3c2cc(N4CCOCC4)cc3C(OC)=O)C(F)F)ccc1)C	2231
+FC(F)(F)c1c(C)c(Cn2c3c(c(cc([N+](=O)[O-])c3)Br)nc2CF)ccc1	2232
+CC(C)(C)OC(=O)c1ccc(Cn2cc(C=O)c3c2cc(cc3)CC(NCC4CCCC4)=O)c(OC)c1	2233
+c1cc(ccc1)S(=O)(=O)C(=Cc2cc(-c3ncn(C)c3-c4ccc(cc4OCC5CC5)F)ncc2)C#N	2234
+c1cc(ccc1)S(=O)(=O)C(=Cc2cc(-c3ncn(C)c3-c4ccc(cc4OCC5CC5)F)ncc2)C#N	2235
+FC(F)(F)c1ccc(C=CC(=O)OC)c(OCC)c1	2236
+C1CN(CCN1c2cccc(Cl)c2)CCC=Cc3ccc4c(c3)CCC(N4)=O	2237
+c1cc(ccc1O)C=NNc2nnc(Cl)c(C3CCC3)c2	2238
+c1cc(ccc1O)C=NNc2nc3cc(-c4ccccc4)nn3c(N5CCOCC5)c2	2239
+c1(C)cc(ccc1[N+]([O-])=O)C=NO	2240
+CC(C)(C)OC(=O)N(C)Cc1cc(F)c(C=NO)cc1	2241
+CC1(C)c2cc(c(F)cc2B(O)O1)C=NO	2242
+FC(F)(F)C1(CC(C)(C)c2c(C=O)cccc2)OC1	2243
+C1CC1COc2c(-c3c(-c4nccc(C=O)c4)ncn3C)ccc(c2)F	2244
+Clc1cc(N)c(cc1)C=O	2244
+O=Cc1c(N)cccc1OC	2244
+c12c(F)cc(C=O)cc1sc(Br)n2	2244
+c12c(F)cc(C=O)cc1sc(Br)n2	2245
+CC(C)n1c2cc(C=O)ccc2nn1	2246
+FC(F)(F)c1ccc(C=O)c(c1)OCC	2246
+CCCN(CCC)CCCCN1CCc2cc(C=O)ccc2C1	2247
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2cc(C=O)c(Cl)cc2	2247
+O=S(=O)(N(c1cccc(c1)C=O)Cc2cccnc2)CC	2247
+c1ccccc1-c2sc3c(cc(C=O)c(OC)c3)n2	2247
+c1cc(ccc1NS(=O)(=O)C)C=O	2248
+c1(C=O)cc2c(C(=O)OC)nn(-c3cccc(c3)Br)c2cc1	2249
+c1ccccc1C(c2cc(c(N3CC(C)OC(C3)C)c(c2F)F)C=O)=O	2250
+O=Cc1cc(ccc1Cl)CCNC(C)=O	2251
+CC(C)(C)OC(COc1c2c(C(CCC2)NS(=O)(=O)c3ccc(cc3)-c4ccccc4)ccc1)=O	2252
+FC(F)(F)c1cc2N(CCCC(c2cc1C)N=[N+]=[N-])C(=O)OC(C)(C)C	2253
+FC(F)(F)c1c(cc2C(N)CCCN(C(OC(C)(C)C)=O)c2c1)C	2254
+FC(F)(F)c1c(cc2C(N)CCCN(C(OC(C)(C)C)=O)c2c1)C	2255
+C1COCCC1N(c2c(CC=C)c(C(=O)NCc3c(nc(cc3C(CC=C)C)C)OC)ccc2)CC	2256
+c1cc(ccc1CCN(C)C)NC=C2C(Nc3c2ccc(C(=O)c4cc(NC(=O)c5cc(nn5C)C)ccc4)c3)=O	2257
+c1c2c(ccc1OC)C(C(=O)N2)=Cc3c(CCCO)c4c([nH]3)CCCCC4	2258
+C1COCCC1N(c2c(CC=C)c(C(=O)NCc3c(nc(cc3C(CC=C)C)C)OC)ccc2)CC	2259
+O(C(=O)CCCc1ccccc1N(C(c2cc(c(cc2)Cl)Br)=O)C)C	2260
+O(C(=O)CCCc1ccccc1N(C(c2cc(c(cc2)Cl)Br)=O)C)C	2261
+O=S(=O)(c1ccccc1)N(c2cc3c(c(c(-c4ccc(cc4)F)o3)C(=O)OC)cc2Br)C	2262
+C1CN(CCO1)c2cccc(Oc3cc(c(Cl)nc3)F)c2	2263
+C1COCCN1c2ccc3c(c2)N(C(=O)C)CC3(C)C	2264
+FC(F)(F)c1c(c(Cn2c3c(nc2CF)c(Br)cc(c3)N4CCOCC4)ccc1)C	2264
+C1CN(CCN1)c2cccc3n(ccc23)S(=O)(=O)c4c5ccccc5ccc4	2265
+FC(F)(F)c1c(N)c(Cl)cc(N2CCOCC2)c1	2265
+c1cc(ccc1Oc2cc(-c3ccccc3)ccc2N4CCNCC4)OC	2265
+C1CNCCN1c2c3c([nH]c(C(OC)=O)c3)ccc2	2266
+O=S(=O)(N(CCO)c1c(C2CC2)cc3c(nn(-c4ccc(C)cn4)c3C(NC)=O)c1)C	2267
+c1(c(c(N2C(c3ccc(cc3N(C2=O)C)F)=O)ccc1)C)Br	2268
+C(Oc1c2c(C(=O)N(C2=O)c3ccc(cc3)CC(OCC)=O)c(c4c1cccc4)OCC)C	2269
+CC(C)OC(CN1C(N(C(N(C)C1=O)=O)c2c(cc(c(N3C(c4c(C3=O)c(F)ccc4)=O)c2)F)Cl)=O)=O	2270
+c1(c(c(N2C(c3ccc(cc3N(C2=O)C)F)=O)ccc1)C)Br	2271
+N1c2cc(ccc2C(N(C1=O)c3c(c(Br)ccc3)C)=O)F	2272
+c1c(OC)c(ccc1)N2C(=Nc3cccc(Cl)c3C2=O)CCl	2273
+C1(C(N=O)=C(N(C(=S)N1)c2cc(CC)ccc2)N)=O	2274
+C=1(N(C(=S)NC(C=1N)=O)c2cc(CC)ccc2)N	2275
+S=C1N(c2[nH]cnc2C(=O)N1)c3cc(CC)ccc3	2276
+CC(C)(C)OC(=O)NC(C(NC1C(Nc2c(cccc2C1)N3CCCC3=O)=O)=O)CC(C)C	2277
+c1cc(ccc1-c2ccc(cc2C)N3C(CCC3)=O)C(OC)=O	2277
+CC(C)(C)OC(NCC1CN(c2cc3CC(N(CCC)c3c(c2)F)=O)C(=O)O1)=O	2278
+CC(C)(C)OC(NCC1CN(c2cc3CC(N(CCC)c3c(c2)F)=O)C(=O)O1)=O	2279
+O=S(=O)(c1cc(Cl)c(N2CN(CC2=O)c3ccc(cc3)Cl)cc1)N	2280
+O=S(=O)(c1cc(Cl)c(N2CN(CC2=O)c3ccc(cc3)Cl)cc1)N	2281
+CC(C)(C)OC(C(c1ccc(cc1)N2C(=O)c3cc(Br)ccc3C2)C)=O	2282
+CC(C)(C)OC(C(c1ccc(cc1)N2C(=O)c3cc(Br)ccc3C2)C)=O	2283
+CC(C)Nc1ccc(cc1)C(C(=O)Nc2ccc(cc2)-c3cc(C)ncc3)C	2284
+O=S(=O)(CCCCC)NC(=O)c1cc(c(NC(=O)C)cc1)N(C)Cc2ccc(Cl)cc2Cl	2285
+c1c(NC(C)=O)ccc2OCc3n(cc(C(=O)OC)n3)-c12	2285
+CC(C)N1C(=O)C(CC)(CC)c2cc(NC(C)=O)ccc12	2286
+c1(NC(=O)C)c(Cl)cc(F)c(OCC)c1Br	2286
+c1ccc(NC(=O)C)cc1-c2ccnc(n2)NCCc3ccc(c(OC)c3)OC	2286
+c1cc(ccc1NC(=S)N)F	2287
+c1cc(ccc1-c2nc(C)ns2)NC(=S)N	2288
+NC(Nc1cc(ccc1OC)Br)=S	2289
+C(N)(Nc1c(cccc1)OCCC)=S	2290
+C(N)(Nc1c(cccc1)OCCC)=S	2291
+c1ccccc1C(NC(Nc2ccccc2OCCC)=S)=O	2292
+CC(C)(C)c1nn(C)c(c1Cl)C(Nc2c(c(nc(c2)-c3ccccc3Cl)OC)[N+](=O)[O-])=O	2293
+FC(F)(F)c1c(-c2cc(c(c(n2)OC)[N+](=O)[O-])NC(=O)c3n(nc(c3Cl)C(C)(C)C)C)cccc1	2293
+C1CN(CCC1n2cc(-c3cnc(c(c3)C(Nc4c(O)cc(OC)cc4)=O)N)cn2)C	2294
+CC(C)(C)OC(=O)N(C1CC(CCC1)c2c[nH]c3ccc(NC(=N)c4sccc4)cc23)CC	2295
+c1cc(NC(CC(Nc2ccccc2OC)=O)=O)cc(c1Oc3ccnc4cc(sc34)-c5ncn(CCC)c5)F	2296
+C1CCCCN1CC(Nc2ccc(cc2)C(=O)N3CC4(CC3CC(C)(C)C4)C)=O	2297
+CC(C)(C)c1cc(c(c(c1)NC(C(=O)c2c3ccccc3c(cc2)OCCN4CCOCC4)=O)OC)Cl	2298
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4c(cc(cc4)NC(=O)C5CCOC5)C#N	2299
+CC1(C)CC2(CC(C1)N(C(c3ccc(cc3)NC(=O)CCl)=O)C2)C	2300
+CC(C)(C)C(=O)Nc1c(ccc(OC)c1)-c2ccccc2	2301
+c1cc(c(cc1Cn2c3cccc(NC(=O)CCl)c3cc2C(=O)OCC)Cl)Cl	2301
+c1cc(ccc1C(C)C)C2=NC(=O)N(c3ccc(cc23)OCC#C)Cc4cc(NC(CCl)=O)ccc4	2301
+c1cc(ccc1CC(NCCN(C)C)=O)NC(=O)CCc2onc(n2)-c3cc4c(cccc4)cc3	2302
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)Nc2cc(Cl)c(OCC(OCC)OCC)cc2	2303
+C(OCCCl)CC(Nc1ccc(cc1C)C(=O)OC)=O	2304
+c1cc(ccc1-c2cc(C)ncc2)NC(C(c3ccc(cc3)[N+]([O-])=O)C)=O	2304
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4ccc5[nH]c(cc5c4)C(CO)C	2305
+C1CCCC1CC(Nc2cc3c(cc2)n(cc3Cc4c(cc(C(=O)O)cc4)OC)C(=O)C)=O	2305
+C1COCCN1CC(=O)Nc2cc(ccc2SC)C(Nc3ccc(-c4ccccc4F)nc3)=O	2305
+CC(C)(C)OC(NC(C(Nc1ccc(cc1)CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O)=O)CC(C)C)=O	2305
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)Nc2cc(Cl)c(OCC(OCC)OCC)cc2	2305
+O=S(=O)(CC)N1CCN(CC1)c2ccc(cc2)NC(C3CCc4cc(OC)cc(N5CCN(CC5)C)c4O3)=O	2305
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5c(ccc(c5)NC(=O)CN(C)C)C)=O)n2	2305
+c1cc(ccc1C(C)(C)C(Nc2cc(ccc2)OCCOC)=O)S(=O)(=O)C=CC#N	2305
+C1CN(CCN1c2c(OC)cncn2)CCCc3c4cc(NC(CCCCl)=O)ccc4[nH]c3	2306
+CC(C)(C)OC(N(c1c(NC(COc2ccc(cc2)CC3SC(=O)NC3=O)=O)ccc(SC)c1)C)=O	2307
+CC(C)(C)[Si](C)(C)OCC(C(=O)OC)N1C(c2cccc(c2C=C1)NC(C(C)c3ccc(cc3)Cl)=O)=O	2307
+CC(C)(C)[Si](C)(C)Oc1cc(c(cc1)N2C(=O)c3ccccc3C2=O)NC(C4CCN(CC4)c5ccncc5)=O	2307
+C1C(Nc2c1ccc(OC)c2)=O	2308
+CC(C)(C)OC(=O)NCc1ccc(cc1)NC(=O)CCc2cccc3c2B(O)OC3	2309
+c1cc(ccc1F)CC2CN(CCC2)C3CCC4CN(CC34)C(=O)Nc5cc(-c6n(nnn6)C)cc(CC)c5	2310
+CC(C)(C)c1ccc(cc1)NC(N2C3CN(CC2CC3)c4ncccc4Cl)=O	2311
+C1CC(CCC1)N(C(=O)Nc2c(cc(cc2)C(=O)OC)C)c3c4ccccc4nn3-c5ccccc5	2312
+C1CCCC1NC(Nc2ccc(cc2)-c3nn(CC)cc3-c4c5cc[nH]c5ncc4)=O	2313
+c1c(OC)cc(cc1NC(=O)NC(CCN2CC(C2)Oc3ccc(cc3)Cl)CO)OC	2314
+CC(C)(C)OC(N1CCC(CC1)NC(=O)Nc2c(c(c(cc2I)C)F)F)=O	2315
+c1cc(ccc1-c2nnnn2C)NC(=O)NCCCN3CC(CCC3)Cc4ccc(cc4)F	2316
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(NCCO)=O)=O	2317
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(NCCO)=O)=O	2318
+c1cc(ccc1-c2nnnn2C)NC(=O)NCCCN3CC(CCC3)Cc4ccc(cc4)F	2318
+CC(C)(C)CCNC(Nc1cc(c(Br)cc1F)-c2c(nc3c(cnc(SC)n3)c2)C)=O	2319
+c1ccccc1COC2CCCCC2NC(Nc3c(c(S(=O)(=O)N)c(Cl)cc3)O)=O	2320
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	2321
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	2322
+CC(C)(C)c1cc(n(n1)-c2ccccc2)NC(=O)Nc3cc(Oc4c5cc(OC)c(cc5ncn4)OCCOC)ccc3	2323
+CN(C)CCCOc1ccc(Cl)cc1NC(Nc2ncc(C#N)nc2)=O	2324
+CC(C)(C)c1c(Oc2c(NC(Nc3ccc(cc3)C)=O)cc(cc2)Br)cccc1	2325
+c1cc(ccc1NC(Nc2c(cc(Cl)c3ccc(OC(=O)C)cc23)Cl)=O)CCC	2326
+c1cc(ccc1N(CCCl)CCCl)NC(=O)Nc2cccc(c2)NC(CCN(C)C)=O	2327
+c1cc(ccc1)NC(=O)Nc2c(cc(c(C=3C(=O)N(c4c(cnc(NC(CC#N)=O)c4)C=3)CC)c2)F)F	2328
+CC(C)S(=O)(=O)c1ccc(NC(=O)N(C)C)cc1C#N	2329
+CC(C)(C)OC(Nc1c(cc(cc1)OCC)C)=O	2330
+CC(C)(C)OC(Nc1ccc(c(-c2ccc(cc2C)C(=O)CC)c1)C)=O	2331
+O=S(=O)(Nc1ccc(F)c(NC(=O)OC)c1)CC	2332
+C1CCCC1OC(=O)Nc2cc3c(cn(C)c3cc2)Cc4ccc(C(=O)OC)cc4OC	2333
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(=O)Oc5ccccc5)=O	2333
+CC(C)(C)[Si](C)(C)OCCc1cc(cc(F)c1N(Cc2ccccc2)C)NC(=O)OCc3ccccc3	2333
+c1cc(ccc1)OC(=O)Nc2cc(-c3n(nnn3)C)ccc2	2333
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)-c3nnnn3C	2333
+ClC(Cl)(Cl)COC(=O)Nc1ccc(cc1)C(N(C)C)=O	2334
+n1c(c2occc2nc1Cl)Nc3cc([nH]n3)C(Nc4cccc(OC)c4)=O	2335
+c1(cc(Cl)cc(c1NC(c2n(-c3c(Cl)cccn3)nc(Br)c2)=O)Cl)NC(=O)OC	2336
+CN(C)CC1Cc2ccc(cc2CC1)NC(c3[nH]cc(-c4ccc(cc4)Cl)c3)=O	2337
+c1cc(ccc1S(=O)(=O)N2CCC(C)(C)CC2)NC(c3ccc([N+](=O)[O-])o3)=O	2338
+c1cc(ccc1)C(=O)c2ccc(C(=O)Nc3cccc(c3)C=CC(OCC)=O)o2	2339
+c1cc(ccc1)C(=O)c2ccc(C(=O)Nc3cccc(c3)C=CC(OCC)=O)o2	2340
+Cc1cc(cc(C)c1NC(=O)c2sccc2NS(=O)(=O)c3ccccc3)C	2341
+CC(C)C(N1CCN(CC1)c2ccc(NC(c3ncccc3)=O)cc2Cl)=O	2342
+CC(C)(C)OC(=O)N=C1NC2(c3c(F)ccc(NC(=O)c4ccc(cn4)Cl)c3)C(CCS1)C2	2343
+c1cc(ccc1OC(F)(F)C)NC(=O)c2cc(c(nc2)Cl)Br	2344
+FC(F)(F)c1ccccc1C(Nc2cc(c3c([nH]cn3)c2)C(=O)Nc4c(c(Cl)ccc4)C)=O	2345
+c1(Cl)c(C(Nc2c(cc(C)cc2)O)=O)cc(Cl)s1	2346
+FC(F)(F)c1ccc(cc1)C(=O)Nc2ccc(cc2)Cc3c4c(n(c3C)CC(OCC)=O)cccc4	2347
+FC(F)(F)c1ccccc1C(Nc2cc3c(c(c2)C(OC)=O)nc[nH]3)=O	2347
+c1cc(ccc1NC(c2ccccc2)=O)Cc3cn(C)c4ccc(C(=O)OC)cc34	2347
+FC(F)(F)Oc1cc(ccc1)C(=O)Nc2c(cc(Cl)c(Oc3c(C#N)c4sc(NC(=O)C5CC5)nc4cc3)c2)F	2348
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2c(NC(c3sc(cc3)Cl)=O)cncc2)=O	2349
+O(C(=O)CCCc1ccccc1NC(c2ccc(Cl)c(Br)c2)=O)C	2350
+c1cc(ccc1)COc2c(C(Nc3c(C)cccc3)=O)cc(c(OCc4ccccc4)c2)Br	2350
+CC1(C)C(C)(C)OB(O1)c2c(C)c(cc(F)c2)NC(c3c(cc(C4CC4)cc3)F)=O	2351
+C1CCCN1c2c(c(nc(Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)n2)C)CC(OC)=O	2352
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(OCc3ccccc3)ccc2NC(c4c5ccccc5ccc4)=O	2353
+c1c(Cl)c(c(cc1)Cl)C(=O)Nc2ccc(cc2)CC(C(OC)=O)NC(c3c(cccc3Cl)C)=S	2353
+c1cc(ccc1C(Nc2ccc(cc2)C3Nc4c(CC3(C)C)cc(C(=O)OC)cc4)=O)F	2353
+c1ccccc1C(=O)Nc2ccc(cc2)CN3CC=C(CCC(OC)=O)C3=O	2353
+C1CN(CCN1c2cccc3nc(C)ccc23)CC(C)c4cc(NC(=O)c5c(F)cccc5)ccc4	2354
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc3c(nc(s3)-c4ccccc4NC(c5cccc(-c6[nH]nnn6)c5)=O)c2	2354
+CC(C)(C)OC(n1c2c(cn1)ccc(c2)NC(=O)c3ccccc3O)=O	2354
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2c(NC(c3sc(cc3)Cl)=O)cncc2)=O	2354
+c1cc(ccc1OCc2nccc(c2)Cl)C(=O)Nc3cc(ccc3C)-c4ncc[nH]4	2354
+FC(F)(F)c1cc(cc(c1)CNC(C)C)C(=O)Nc2cc(c(C)cc2)Nc3cc(nn3-c4ncnc(NC)c4)C	2355
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5cc([N+]([O-])=O)ccc5C)=O)n2	2356
+CC(C)(C)c1sc2c(n1)cc(c(NC(N3CCCCC3)=S)c2)N4CCN(CC4)C	2357
+CC(C)(C)c1sc2c(n1)cc(c(NC(N3CCCCC3)=S)c2)N4CCN(CC4)C	2358
+CC(C)(C)OC(N1CCc2ccc(c(C)c12)NC(NCCN)=S)=O	2359
+CC(C)(C)OC(N1CCc2ccc(c(C)c12)NC(NCCN)=S)=O	2360
+FC(F)(F)c1c(NC(Nc2ccc(c(S(=O)(=O)N(C)C)c2O)Cl)=S)cccc1	2361
+c1cc(ccc1NC(Nc2ccc(cc2)C#N)=S)NNC=O	2362
+c1ccccc1C(=S)Nc2c(Cl)c(ccc2)C	2363
+FC(F)(F)C(=O)NCC#Cc1cc(NCC2(CCCCC2)O)ccc1	2364
+CC(C)(C)OC(NCC(CNc1cc(c2c(CC(=O)N2CCC)c1)F)O)=O	2365
+O=S(=O)(c1ccc(cc1)NCC2CCCC2)C	2366
+CC(C)(C)OC(=O)NC(C)(C)CNc1c(C)cccc1	2367
+c1ccccc1COc2ccc(cc2)CCCNc3ccc(cc3)C(OCC)=O	2367
+FC(F)(F)c1cc(c(cc1)-c2ncnc(Oc3c4c(ccc3)sc(NC(C)=O)n4)c2)NCC5CCCCC5	2368
+CC(C)CNc1cc(ccc1NC(=O)COc2cc(ccc2)OCC)O	2369
+c1cc(ccc1)S(=O)(=O)NC(=O)c2cc(c(NC(C)=O)cc2)NCc3ccc(cc3)OCc4ccccc4	2370
+c1cc(ccc1C(C)C)C(=O)c2cc(OCC#C)ccc2NCc3cc(ccc3)[N+](=O)[O-]	2370
+c1ccccc1CCNc2c(cc(cc2S(=O)(=O)N)C(O)=O)NCc3ccccc3	2370
+FC(F)(F)c1cc(c(CNc2cc(c(cc2)-c3ccc(cc3C)Cl)Cl)cc1)Br	2371
+FC(F)(F)c1cc(-c2c(cc(cc2)NCc3c(cccc3F)F)F)n(C)n1	2372
+c1cc(ccc1NC=C2C(Nc3c2ccc(C(=O)c4cccc(c4)NC(c5sccc5)=O)c3)=O)C(=O)O	2373
+CC(C)(C)NS(=O)(=O)c1cc(ccc1S(=O)(=O)CC)NC=O	2374
+FC(F)(F)c1ccccc1-c2nc(O)c3cc(ccc3c2)NC(CNCCO)=O	2375
+c1cc(ccc1NCC(=O)Nc2c(Cl)cc(S(=O)(=O)N)cc2)Cl	2376
+O=S(=O)(Nc1ccc(c(CN(C(=O)OCc2ccccc2)CC)c1)-c3c(OC)ccc(c3)CC(OCC)=O)C	2377
+c1cc(ccc1-c2c(c3cc(Br)c(cc3o2)NS(=O)(=O)C)C(OCC)=O)F	2377
+C1CN(CCC12Oc3c(C(=O)C2)cc(NS(=O)(=O)C)cc3)C	2378
+CC(C)(C)OC(NCc1cccc(NS(=O)(=O)C)c1)=O	2378
+O=S(=O)(Nc1ccc2n(CC(OCC)=O)c(cc2c1)C)C	2378
+c1cc(ccc1Cl)-n2c(c3c(n2)cc(NS(=O)(=O)C)c(C4CC4)c3)C(=O)NC	2378
+CC1(C)C(=C(c2ccc(cc2)F)c3c(O1)cc(cc3)NS(=O)(=O)C)F	2379
+FC(F)(F)S(=O)(=O)Nc1cc(c(C)cc1C)N2C(CC2)=O	2380
+O=S(=O)(c1c(CC2CN3CCC2CC3)cc(F)cc1)Nc4ccc5c(c4C(=O)OC)OCC6CC56	2381
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C3C4C(CN(C(=O)CC)C4)C3	2382
+O=S(=O)(c1ccccc1)Nc2c(Br)cc3c(C(=O)OC)c(-c4ccc(cc4)F)oc3c2	2382
+C1CCCC1c2n3N=C(NC(=O)c3c(C)n2)c4cc(NS(=O)(=O)c5cc(C#N)ccc5)ccc4OCCC	2383
+FC(F)(F)C(NC1C2N(CCC1)c3c(cc(NS(=O)(=O)c4ccccc4)c(Cl)c3)Oc5ccccc25)=O	2383
+FC(F)(F)Oc1cc(ccc1)S(=O)(=O)Nc2cc(c(cc2)OC)C3CN(CC3)C(=O)CC	2383
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)NS(=O)(=O)c4ccc(cc4)C(C)C	2383
+C1CN(CCO1)c2nc(-c3c(c(ccc3)NS(=O)(=O)c4c(F)ccc(c4)F)F)c(-c5ccnc(n5)Cl)s2	2384
+c1c(Cl)c(c(cc1)Cl)Nc2ccccc2CS(=O)(=O)NCCOCCO	2385
+COc1cc(cc(OC)c1OC)Nc2ncnc(Nc3cccc(NC(=O)C=C)c3)n2	2386
+S(C)(Cc1cccc(c1)Nc2nc(ncn2)Cl)(=O)=NC(OCC)=O	2387
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(c(cc2)C)-c3cc(ccc3)Nc4ncccc4Br	2388
+FC(F)(F)c1ccc(Sc2ccc(cc2)NC(=O)C)c(Nc3c4c(ncc3)nc(C)cc4)c1	2389
+FC(F)(F)c1ccc(Sc2ccc(cc2)NC(=O)C)c(Nc3c4c(ncc3)nc(C)cc4)c1	2390
+c1c(cccc1O)Sc2c(cc(C)cc2)Nc3ccnc4nc(C)ccc34	2390
+c1cc(ccc1O)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	2390
+c1c(cccc1O)Sc2c(cc(C)cc2)Nc3ccnc4nc(C)ccc34	2391
+c1cc(ccc1O)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	2391
+FC(F)(F)c1ccc2c(ccnc2c1)Nc3ccc(cc3)S(=O)(=O)N4CCN(CC4)c5cc(CCC)cc(CCC)c5	2392
+c1nc2c(c(Nc3cc(c(Cl)cc3Cl)OC)c1C#N)cc4cc(c(OCCCl)cc4c2)OC	2393
+c1nc2cc3cc(c(OC)cc3cc2c(Nc4cc(c(Cl)cc4Cl)OC)c1C#N)O	2393
+c1cc(ccc1C(C)(C)C#N)Nc2c3c(ccc(Br)c3)ncc2[N+](=O)[O-]	2394
+c1cc(ccc1-c2cncc(n2)Nc3ccc(C(=O)O)cc3OC)O	2395
+c1cc(ccc1Nc2nc(C(N)=O)c(NC(=O)c3ccc(cc3)F)s2)OC	2396
+COc1cc(ccc1Cl)Nc2scc(n2)C(=O)O	2397
+C1CN(CCN1C)c2ccc(cc2)Nc3nc(c(C(c4cc5OCOc5cc4)=O)s3)N	2398
+CC(C)(C)OC(NCCCn1c(Nc2cc(OC)c(c(OC)c2)OC)nc3c1cc(cc3)C(OC)=O)=O	2399
+c1cc(ccc1C2c3c(c(N4CCC(CC4)(O)C)nc(Nc5ccc(c(OC)c5)-n6cc(nc6)Cl)n3)CC2)F	2400
+FC(F)(F)c1c(Cl)nc(nc1)Nc2ccc(cc2)C(=O)OCc3ccccc3	2401
+Cc1cc(cc(C)c1S(=O)(=O)N)Nc2nc(c(Br)cn2)NC(CO)C	2402
+c1cc(ccc1N2CCN(CC2)C)Nc3ncc4C=C(C(=O)N(Cc5c(F)cccc5C6CC6)c4n3)Br	2403
+CC(C)(C)OC(=O)n1c(cc2ccccc12)-c3cnc(Nc4cc(ccc4)O)o3	2404
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	2405
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	2406
+C1COCCN1c2c(C)cc(Nc3ncnc4c3cc(cc4)I)cc2	2407
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	2408
+n1c(ccnc1Cl)Nc2ccc3n(C)c(nc3c2)N	2409
+C1CC(CCN1C)Oc2cccc3ncnc(c23)Nc4ccc(c(C)c4)O	2410
+Clc1ccc(N=C=S)cc1-c2c(cncc2)F	2411
+OB(O)c1cc(cc(C(O)=O)c1)N=C=S	2411
+CC(C)(C)c1sc2c(n1)cc(N3CCN(CC3)C)c(c2)N=C=S	2412
+CC(C)(C)OC(N1c2c(CC1)ccc(N=C=S)c2C)=O	2413
+C1COCCN1CC2COc3c(cccc3)N2N	2414
+FC(F)(F)c1ccc(O)c(NC(=O)c2ccncc2I)c1	2415
+c1c(OC)cc(cc1NC(c2c(cccc2F)F)=S)OC	2416
+O=S(=O)(N)Nc1cccc(OCC2CN(C(CC(C)C)=O)CCC2)c1C#N	2417
+O=C(OCC)C(Oc1cc(ccc1)Oc2ccccc2[N+]([O-])=O)C	2418
+C1CC(CCO1)Oc2ccc(cc2C=O)I	2419
+C1COCCC1Oc2cccc3C(=O)c4c(CCc23)cc(cc4)Cl	2420
+c1ccccc1C(=O)c2c(OC(=O)C)cc3c(CCC3C(OC)=O)c2	2421
+c1c(OC)c(c(cc1C)OC)OC(=O)C(C(C)OC)Br	2422
+C1CC1(Oc2cc([N+](=O)[O-])c(cc2Cl)F)C(=O)OCC	2423
+C1CCCC1CC(C(OC)=O)N2C(C=C(Oc3c(C)ccc(C)c3C)C=N2)=O	2424
+CC(C)(C)OC(NCC=1N(C(=O)c2c(cc(OCC(N)=O)cc2)C=1c3ccccc3F)CC(C)C)=O	2425
+C[Si](C)(C)CCOCn1c(-c2ccc(cc2)OCC(Nc3ccc(cc3)C#N)=O)nc4N=CN(C(=O)c14)CCC	2426
+CC(C)(C)OC(=O)COc1ccccc1CC(c2c3ccccc3n(CCCCC)c2)=O	2427
+CCC(c1cccc(OCC(OCC)=O)c1)=O	2428
+c12c(Cl)cccc1CCCO2	2429
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(OCC)=O)o3	2430
+ClC(Cl)=CCOc1cc(c(OCOC)c(c1)Cl)C	2431
+c1cc(ccc1)C(=O)COc2ccc(cc2C)CC(N)=O	2432
+C(OC(CCc1c2ccc(cc2sc1)OCCc3nc(NC)ccc3)=O)C	2433
+FC(F)(F)c1cc(ncc1)-n2cc(CCCOc3c(OC)cccc3CC(OC)=O)c(C(C)C)n2	2433
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(OCC)=O)o3	2434
+Fc1cccc(F)c1C(Nc2ccn(Cc3ccc(cc3Cl)OCCCCCCCO)n2)=O	2435
+CC(C)(C)OC(=O)N1CCN(CC1)CCc2ccc(cc2)OCCCCl	2436
+C1CC1NC(=O)c2cc(c(cc2)C)N3C=Cc4c(cc(OCCCl)cc4)C3=O	2437
+CC1(C)C(c2c(C1)c(ccc2)OCCCBr)N3CCCCC3	2437
+Cc1cc(cc(C)c1OCCCBr)-c2nc3c(o2)nc(Cc4ccc(cc4)Cl)nc3OCCC	2437
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(OCCCCBr)c3	2437
+c1cc(ccc1Cc2c(OCCCBr)cccc2)C(N(CC)CC)=O	2437
+c1cc(ccc1OCCCCl)-c2ccc(cc2C)C#N	2437
+c1ccccc1C2=NC(C)(C)Cc3c2c4CC(C)(C)Oc4c(OCCO)c3	2437
+CN(C)CCCOc1cc(-c2c(-c3c(C)cccc3)ccc(C(=O)OC)n2)ccc1Cl	2438
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3CCCc4cc(OCCN(C)C)ccc34)C(C)C	2438
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5c4cc(c(OCCOCCCl)c5)OC)C)C	2438
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)OCCCN3CCOCC3	2439
+c1cc(ccc1OCCCN2CCCC2)-n3c(cc(n3)CC)CC	2439
+FC(F)(F)c1cc(ncc1)-n2cc(CCCOc3c(OC)cccc3CC(OC)=O)c(C(C)C)n2	2440
+n1c(NCCCOc2cc3c(cc2)n(cc3)C(C(OC)=O)C)c(cnc1Cl)F	2440
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(Br)c2)CO	2441
+C1CCN(C1)CCOc2cc3cc([N+](=O)[O-])cnc3cc2	2442
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(OCC)=O)o3	2442
+C1CN(CCC1)CCOc2ccccc2CCNS(=O)(=O)c3ccc(cc3)Oc4ccc(cc4)F	2442
+C1(=O)c2ccccc2C(=O)N1CCCOc3cc4c(N(C(=O)C(C)(C)C(=O)N4C)CC)cc3	2443
+O=S(=O)(CCC)c1cc(OCCCCCCc2cccc(OCCCC(OCC)=O)c2CCC(OCC)=O)cc(Br)c1	2443
+c1cc(ccc1COC(NCCCOc2ccc3c(CN(C)C(C(C3)CC(OC)=O)=O)c2)=O)[N+]([O-])=O	2444
+FC(F)(F)c1ccc(cc1)-c2csc(CCCOc3cc(c(OCC(OC)=O)cc3C4CC4)C)n2	2445
+CC(C)(C)OC(=O)N1CCc2c(cc(OCC3CCN(CC3)c4ccncc4)cc2)C1	2446
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CCOc3ccc(CCC(OC)=O)c(C)c3	2447
+O=S(=O)(CCC)c1cc(OCCCCCCc2cccc(OCCCC(OCC)=O)c2CCC(OCC)=O)cc(Br)c1	2447
+CC1(C)c2cc(c(OCOC)cc2C(C)(C)CC1)C(CC)=O	2448
+c1cc(ccc1OC(C)C)-c2nc(c(o2)C)COc3cc(C)c(cc3)CC(C(OC)=O)OCC	2449
+c1cc(ccc1Cc2noc(c2)-c3ccc(N)nc3N)OCc4nccc(c4)Cl	2450
+c1cc(ccc1Cc2noc(c2)-c3ccc(N)nc3N)OCc4nccc(c4)Cl	2451
+c1cc(ccc1OCc2nn3ccnc3cc2)C4=C(OC(C)(C)C4=O)c5ccc(cc5)OC	2452
+c1(ccc(Cl)cc1-c2c(c3c(nc(nc3cc2)N)N)Cl)OCc4ncccc4	2453
+CC(C)(C)Cc1nc(COc2cc(cc(c2)OC)CCC(=O)OCC)ccc1-c3cc(ccc3F)OC	2454
+c1cc(ccc1OCc2nn3ccnc3cc2)C4=C(OC(C)(C)C4=O)c5ccc(cc5)OC	2454
+c1cc(ccc1Cl)-c2cncc(c2)COc3ccc(c(c3)C)CCCCn4ccnn4	2455
+c1cc(ccc1Cl)-c2cncc(c2)COc3ccc(c(c3)C)CCCCn4ccnn4	2456
+c1ccnc(N2CCC(F)C2)c1COc3c(c(ccc3)O)C=O	2457
+c1ccnc(N2CCC(F)C2)c1COc3c(c(ccc3)O)C=O	2458
+n1c(cc(COc2c(OC)cc3c(c2)ncnc3Nc4c(cc(Cl)cc4)F)cc1)Br	2459
+Cc1cc(C(c2cc(OCc3cccc(c3)OC)ccc2)=C)ccc1OC	2460
+c1(ccccc1Cl)-c2n3c4ccc(cc4nc(C)c3c(C)n2)OCc5cccc([N+]([O-])=O)c5	2461
+c1(F)cccc(F)c1NC(c2oc(cc2)Cc3cc(ccc3OCc4c(F)cccc4)Cl)=O	2462
+n1c(cc(COc2c(OC)cc3c(c2)ncnc3Nc4c(cc(Cl)cc4)F)cc1)Br	2463
+CC(C)c1[nH]nc(c1Cc2ccccc2OCc3cccc(Cl)c3)OC4OC(C(C(C4O)O)O)CO	2464
+C1NCC2C(C)c3cc(Cl)c(cc3C12)OCc4cccc(F)c4	2465
+c1ccccc1COc2ccc3c(CCC45C(CN(C(=O)C)C4)CCC35)c2	2466
+CC(C)(C)OC(CC1c2n(c3ccc(OCc4cc(C(F)(F)F)c(CC5CCCCC5)cc4)cc3c2)CC1)=O	2467
+CC(C)(C)OC(CC1c2n(c3ccc(OCc4cc(C(F)(F)F)c(CC5CCCCC5)cc4)cc3c2)CC1)=O	2468
+O(C)c1c(ccc(C=O)c1[N+](=O)[O-])OC	2469
+c1ccccc1COc2cc3c(cc2)ccc(C#N)c3	2470
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1S(=O)(=O)N2CCOCC2)F	2471
+C1CCC(C1)c2cc(C(=O)c3c(sc(C)c3C)Cc4ccc(cc4)Br)ccc2OS(=O)(=O)c5cc(O)c(C(O)=O)cc5	2472
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2ccc(c(c2)O)C(O)=O)C(c3c(Cc4ccc(cc4)Br)oc(c3C)C)=O	2473
+CC(C)(C)[Si](C)(C)Oc1c(cc(Oc2c(cc(cc2Cl)[N+](=O)[O-])Cl)cc1)C(C)C	2474
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)C(CCC)C(OCC)=O)Oc3ccc(cc3)F	2475
+FC(F)(F)c1ccc(Oc2cc(ccc2)C(C(=O)O)C)c(c1)C=O	2476
+Clc1cccc(c1)Oc2cc(OC)ccc2C3CN(C(=O)C3)c4cccc(C(=O)N)c4	2477
+Clc1cc(cc(Oc2ccc([N+]([O-])=O)cc2C=O)c1)CC(OC)=O	2478
+c1cc(ccc1Oc2ccccc2[N+](=O)[O-])-c3cn(c4ncnc(N)c34)C(C)C	2479
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(cc(OC4CCOC4)c3)C(=O)OC	2480
+C1N(CC1)C(c2cnc(Oc3cc(cc(OC(C)COC)c3)C(=O)Nc4nn(cc4)CC)c(Cl)c2)=O	2481
+c1(c(C)c(C)ccc1C)Oc2cnnc(O)c2Cl	2482
+Cc1c(c(c(cc1)C)Oc2cnnc(O)c2)C	2483
+c1cc(ccc1)Cn2c3c(nc(N)nc3Oc4c(cc(cc4C)C)C)cc2	2484
+c1cnccc1-c2nc(Oc3c(C)cccc3)c(cn2)C(OCC)=O	2485
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)S(=O)(=O)c3c4cccc(N(C)C)c4ccc3)=O	2486
+C1CCCN1CCOc2ccc(cc2)N(Cc3cccc(OC4OCCCC4)c3)S(=O)(=O)c5c(C#N)cccc5	2487
+O=S(=O)(c1ccc(OC)cc1OC)NC(C)c2c(-c3c(F)cc(Cl)cc3)cccc2	2488
+c1cc(ccc1S(=O)(=O)NCC(CC(=O)Nc2ccccc2)c3ccc(cc3)Cl)C	2489
+FC(F)(F)c1nn(cc1CO)Cc2cc3CCC(NS(=O)(=O)c4c(cccc4)OC)c3cc2	2490
+FC(F)(F)c1ccc(N2CCCCC2)c(NS(=O)(=O)c3ccc(cc3)C)c1	2491
+c1cc(ccc1S(=O)(=O)C)S(=O)(=O)Nc2c(C(c3cnccc3)=O)cc(cc2)Cl	2492
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(c3c(n4CCCc4c3)cc2)C(=O)OC	2493
+FC(F)(F)Oc1cccc(c1)SC2CCOC(c3ccc(cc3)Cl)C2	2494
+c1cc(ccc1-c2nc(N)sc2C)OC	2495
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	2496
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	2497
+c1(ccc(-c2c([nH]nc2N)C)cc1OCCOC)OCCOC	2498
+c1(ccc(-c2c([nH]nc2N)C)cc1OCCOC)OCCOC	2499
+c1(ccc(-c2c([nH]nc2N)C)cc1OCCOC)OCCOC	2500
+c1(ccc(-c2c([nH]nc2N)C)cc1OCCOC)OCCOC	2501
+FC(F)(F)c1cc(-c2ccc(cc2)C)n(-c3ccc(F)c(Cl)c3)n1	2502
+Clc1ccc2oc(-c3cc(ccc3)C(=O)OCC)cc2c1	2503
+c12cc(c(-c3occc3)nc1[nH]c(-c4cc(F)ccc4)c2)-c5ccncn5	2504
+c12cc(c(-c3occc3)nc1[nH]c(-c4cc(F)ccc4)c2)-c5ccncn5	2505
+C1COCCC1n2c(-c3cc(c(cc3NC(=O)C)C)Br)ccn2	2506
+c1(-c2cc(C)ccc2)ccnn1-c3nccc(C#N)c3	2507
+c1(-c2cc(C)ccc2)ccnn1-c3nccc(C#N)c3	2508
+c1cc(ccc1C=2C(C)(C)OC(=C(C#N)C#N)C=2C#N)-n3nnc(-c4ccc(cc4)N(CC)CC)c3	2509
+c1(cc(Cl)c(cc1O)O)-c2c(c[nH]n2)-c3cc(ccc3)OCCCCC#N	2510
+c1c(C)c(c(cc1OC)C)-c2csc(N)n2	2511
+c1c(C)c(c(cc1Oc2ccccc2)C)-c3nc(sc3)N	2511
+c1cc(ccc1F)-c2scc(n2)-c3ccc(cc3)C	2512
+c1cc(ccc1)-c2ccc(cc2F)-c3noc(-c4ccc(cc4)CO)n3	2513
+Clc1ccc(c(Cl)c1)-c2c(CN)c(nc(-c3cc(c4ccn(c4c3)C)OC)n2)N	2514
+FC(F)(F)Oc1c(cccc1)-c2nc(-c3ccc(c(C)c3)-c4c(csc4)C)on2	2515
+c1cc(ccc1-c2nc(on2)-c3ccc(cc3)OCc4ccccc4)Oc5ccncc5	2516
+c1cc(ccc1Oc2ncccc2)-c3nc(on3)-c4ccc(cc4)OCc5ccccc5	2516
+c1cc(ccc1)-c2ccc(cc2F)-c3noc(-c4ccc(cc4)CO)n3	2517
+c1cc(ccc1-c2noc(n2)-c3ccc(cc3)CC(C)C)C4CC5(C(N(C)C(=O)N5)=O)CC4	2518
+c1ccccc1Oc2ccc3c(nc(o3)-c4ccc(C=O)cc4F)c2	2519
+c1c2c(nc(-c3cc(Br)c(C)cc3)o2)ccc1	2520
+c1ccccc1Oc2ccc3c(nc(o3)-c4ccc(C=O)cc4F)c2	2521
+c1cc(ccc1-c2cc([nH]n2)C(OCC)=O)OC	2522
+c1cc(ccc1-c2oc(nc2)-c3cccc(-c4oc(nn4)Cc5ccc(cc5)C(=O)OC)c3)OC	2523
+c1cc(ccc1)COc2cc(Oc3ccc(cc3)-c4oc(C)nn4)cc(c2)C(OC)=O	2524
+c1cc(cc(c1)-c2nnc(o2)-c3cc(OC)ccc3)I	2525
+c1cc(ccc1-c2oc(nn2)-c3cccc(OC)c3)I	2525
+c1cc(ccc1C(OC)=O)-c2cc[nH]n2	2526
+c1([nH]ncc1)-c2cc(ccc2)C#N	2527
+c1cc(ccc1-c2noc(COC(=O)C)n2)CN(C3C(NCCCC3)=O)S(=O)(=O)c4ccc(cc4)Cl	2528
+CC(C)(C)OC(=O)N1C(c2ccc(-c3nc(on3)-c4ccc(c(c4)Cl)OC(C)C)cc2CCC1)CCC(=O)OC	2529
+CC(C)Oc1ccc(cc1Cl)-c2nc(-c3c4c(ccc3)n(CCC(=O)OCC)nc4)no2	2530
+c1nc(c2n1-c3c(c(ccc3)CC=C)OC2)C(=O)OCC	2531
+C1CC1CNc2ncc(cc2)-c3nnn(c3)-c4c(C)ccc(C(=O)O)c4	2532
+FC(F)(F)c1c(c2c3c(c1)NC(=O)C(N3C(P(OCC)(OCC)=O)CC2)=O)-n4cccc4	2533
+c1cc(ccc1OCC)-n2cnc3cnc(Nc4cnn(c4)CCn5nccc5)nc23	2534
+N1(c2cc(C(=O)OC)cc(c2)-n3nnnc3)C(C=C(C=C1)C)=O	2535
+n1nncn1-c2cc(-c3ccccc3OC)cc(C(=O)OC)c2	2536
+CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c3ccc(cc3)C)n1	2537
+c1cc(ccc1-n2c(ccn2)N)OC	2538
+c1(nc2c(c(F)ccc2)[nH]1)Cl	2539
+C1CCCCN1CCOc2c3c(nc(O)cc3)c(cc2)Cl	2540
+Clc1ccc2c(nc(Cl)nc2)c1	2541
+Clc1ccc2c(nc(Cl)nc2)c1	2542
+Clc1ccc2c(nc(Cl)nc2)c1	2543
+Clc1ccc2c(c1)nc(nc2)O	2544
+Clc1ccc2c(c1)nc(nc2)O	2545
+O(n1nnc2c1cccc2)c3nc(c(cn3)C(=O)N)NCc4cnn(C)c4	2546
+c1cc(ccc1F)-c2cnc(Cl)o2	2547
+c12cc3c(OCO3)cc1c(Cl)ncn2	2548
+c12cc3c(OCO3)cc1c(Cl)ncn2	2549
+n1c2c(c(O)nc1)cc3OCOc3c2	2550
+O(C)c1ccccc1Nc2cccc3C(=O)N(C4C(=O)NC(CC4)=O)C(c23)=O	2551
+N(C(N)=O)Cc1cccc2c1C(N(C3C(=O)NC(CC3)=O)C2=O)=O	2552
+C1CN(CCN1CCc2cc(ccc2)N3C(=O)c4cc(ccc4C3=O)C)c5c6c(nc(C)cc6)ccc5	2553
+C1CC(c2c(F)c(cc(F)c12)Br)=O	2554
+c1(cc2cccnc2cc1)N3C(c4cc(OC)ccc4C3)=O	2555
+c1c(c(c2NC(C(=O)Nc2c1)=O)C)C	2556
+C1(C(=O)Nc2cc(CC)c(cc2N1)CC)=O	2557
+CN(C)CC1CC1c2cc3[nH]cc(C#N)c3cc2	2558
+CN(C)C=CC(c1c(c2cc(ccc2s1)Cl)CC)=O	2559
+C(CC#N)c1c(scc1)CCCO	2560
+c1(CO)c(C)onc1-c2ccncn2	2561
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4cc5c(c(ccn5)C(=O)OC)cc4	2562
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4ccc5c(cc(C(=O)OC)cc5)c4	2562
+O=S(=O)(N(c1onc(C)c1Cl)COCCOC)c2c3cccnc3sc2Cc4cc5OCOc5cc4C	2563
+C1CCCN1CCN2C(c3c(C)c(C=C4C(Nc5c4cc(F)c(N)c5)=O)[nH]c3CC2)=O	2564
+c1cc(ccc1)-n2c3c(cccc3)c(C=O)c2N4CCCCCC4	2565
+C1CCCCN1c2ncnc(COC)c2C	2566
+C[Si](C)(C)c1cc(c(cc1)Nc2c(oc3c2c(Cl)ncc3)C(OCC)=O)F	2567
+c1cc(ccc1O)Sc2ccc(OCc3cccc(Br)c3)cc2Nc4ccnc5nc(C)ccc45	2568
+Cc1cccc2c1ncc(C(=O)CCC)c2Nc3ccccc3OC	2569
+c1cc(ccc1)Sc2c(cc(cc2)Nc3c(C#N)cnc4c3cc(cc4)[N+](=O)[O-])Cl	2569
+FC(F)(F)c1nn(-c2ccc(cc2)CCO)c(C)c1-c3ccccc3	2570
+n1(nc(c(-c2c(N)cccc2)c1C)C#N)C	2571
+c1ccccc1-c2nc(c(c(-c3cc4NC(=O)Nc4cc3)n2)C(C(=O)OC)CCC)C	2572
+c1cc(ccc1OC)-c2c(-c3ccccc3OC)oc4ncnc(NCCCCCC(=O)OC)c24	2573
+Clc1cc2c(c(sc2cc1)-c3ccnc(n3)N)CC	2574
+c1ccccc1Cn2c3cccc(C(=O)OC)c3c4c(cccc24)O	2575
+c1ncc2cc(Br)ccn12	2576
+CC(C)(C)OC(NCCCCNc1c2c(cc(cc2)OCc3ccccc3)ncc1[N+]([O-])=O)=O	2577
+c1ccccc1COc2ccc3c(c([N+]([O-])=O)cnc3c2)NCC(C)(C)N	2577
+c12cc[nH]c1cncc2Br	2578
+c1cc(ccc1CCc2c[nH]c(C(=O)OCC)c2)Cl	2579
+CC(C)Oc1ccc(-c2onc(-c3cccc4c3n(cc4CN5CCC(CC5)C(=O)OCC)C)n2)cc1Cl	2580
+CC(C)c1nc(nc(c1)N2CCOCC2)-c3ccc(cc3)Cl	2581
+CC1(C)CC(O)(CCC1)CNc2ncnc3c2CN(CC3)c4ncc(C)cc4	2582
+O=S1(=O)CCC(Nc2c(C)c(C)nc(NCc3ccccn3)n2)C1	2583
+c1n[nH]c2cnc3cc(OC)c(OC)cc3c12	2584
+c1cc(ccc1C#N)-n2c3cc(C)nc(C)c3nc2C	2585
+c1cc(ccc1Br)S(=O)(=O)N2c3ccccc3Cn4c(C2)ccc4C(=O)NCc5cnccc5	2586
+Cc1ccccc1-c2cc(c(C(=O)N3Cc4n(Cc5c3cccc5)c(C(=O)O)cc4)cc2)OC	2587
+CCCCCCCCCCCCc1ccc(C(O)=O)s1	2588
+c1cc(ccc1)N2CCN(CC2)S(=O)(=O)c3sc(cc3)-c4cc(c(O)nc4C)CC	2589
+O=S(=O)(N)c1cc(c(CCOC)s1)C	2590
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(S(=O)(=O)NC3CC3)c(C)n2CC4CCCCC4	2591
+FC(F)(F)C(=O)Nc1cc(ccc1F)N(c2nc3c(nc(N)s3)cc2)C	2592
+FC(F)(F)C(=O)Nc1cc(N(c2nc3sc(NC(C4CC4)=O)nc3cc2)C)ccc1F	2593
+FC(F)(F)C(=O)Nc1cc(N(c2nc3sc(NC(C4CC4)=O)nc3cc2)C)ccc1F	2594
+FC(F)(F)c1nc(ccc1)-c2nc3ccc(N4CC(CCC4)C(N5CCCC5)=O)nc3[nH]2	2595
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(Nc4c(C#N)c(CC)nc(N)n4)C)=O	2596
+C1CCCCC1N2C=C(C(c3cnc(nc23)NCCCn4ccnc4)=O)C(OCC)=O	2597
+c1ccccc1COc2cc3c(c4c(c(cc(Br)n4)C(=O)OC)[nH]3)cc2	2598
+C1CC2(CCN1c3cnn4c(c3Cl)nnc4CC5CC5)C=Cc6ccccc26	2599
+CC(C)(C)OC(N1CC2(CC(C2)n3cc(Br)cn3)C1)=O	2600
+CC(C)(C)OC(N1CC2(CC(C2)n3cc(Br)cn3)C1)=O	2601
+C[Si](C)(C)CCOCn1ccc2c1ncnc2-c3cn(C(CN4CC(C(CC4)OC(=O)c5ccccc5)F)CC#N)nc3	2602
+C[Si](C)(C)CCOCn1c2ncnc(-c3cn(C4(CC(C4)C(OC)=O)CC#N)nc3)c2cc1	2603
+c1c2c(cccc2ccc1F)Cn3c4ccc(cc4c(CC(OCC)=O)c3C(OCC)=O)F	2604
+c1(F)cccc(F)c1C(Nc2cn(Cc3c(OCc4ccccc4)cc(cc3)Cl)nc2)=O	2605
+O=S(=O)(C)c1cc2c(C)cn(NC(c3cnc(nc3C)-c4cccc(F)c4)=O)c2cc1	2606
+CC(C)(C)OC(N(C)Cc1cn(S(=O)(=O)c2cnccc2)c(c1)-c3cc(C#N)ccc3F)=O	2607
+FC(F)(F)c1nc(-n2cnc(I)c2)nc(-c3cc(Cl)c(Cl)cc3)c1	2608
+FC(F)(F)c1ncc(-n2c(c(Cl)nc2C)-c3c(F)cc(cc3F)OC)cc1	2609
+c12ccccc1NC(C2=Cc3[nH]cc(C)c3C)=O	2610
+c1nc(ncc1OCC)N2CCC(CC2)C3CC3CCO	2611
+FC(F)(F)c1c(C(N2CCN(CC2)c3sc(cn3)C(OC)=O)=O)cccc1	2612
+C1COCCC1Nc2ncc3C=C(c4cc(C(=O)NC5CC5)ccc4C)C(=O)N(C)c3n2	2613
+c1cc(ccc1Nc2nc(c(C#N)cn2)N)C(NCCCn3ccnc3)=O	2614
+c1cc(ccc1Nc2c(cnc(n2)Nc3cn(nc3)CCn4nccc4)[N+]([O-])=O)OCC	2615
+c1cc(ccc1-c2c(-c3ccccc3)nc4c(CCCN4CCCCCCC(OCC)=O)n2)C	2616
+C1CN(CCO1)c2ncc(cc2Nc3cc(nc4cc(cc(c34)F)F)-c5ccccn5)N6CCOCC6	2617
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c4c(ncc3C#N)cc(c(NC(=O)C)c4)OCC	2618
+c1cc(ccc1)NC(n2c3ccc(cc3cc2)Nc4cc(ncc4C#N)N)=O	2619
+CC(C)(C)OC(=O)N1CC(Nc2c3c(ccs3)ncc2[N+](=O)[O-])CCC1	2620
+C1CC1(c2c(cccc2)C#Cc3nc(ncc3C)Cl)C(=O)N	2621
+C1CC1(C(N)=O)c2ccccc2CCc3nc(ncc3C)Cl	2622
+C1CC1(C(N)=O)c2ccccc2CCc3nc(ncc3C)Cl	2623
+C1CN(CCN1c2c3c(ncn2)cc(OC)c(c3)OC)c4ncc(cn4)O	2624
+C(c1c(nc(nc1C)N)NCCCCC)CCCCC	2625
+C1COCCC1Nc2c(cnc(-c3c4cnccn4nc3)n2)[N+]([O-])=O	2625
+c1ccccc1CCS(=O)(=O)Nc2c(Oc3cccc(c3)OC)c(Cl)nc(n2)N4CCOCC4	2626
+C1CN(CCC1Oc2cc(OC)cc3c2c(Nc4n[nH]c(CC(O)=O)c4)ncn3)C	2627
+c1cc(ccc1)Nc2c(Oc3c(cc(c(C)c3)OC)C(C)C)cnc(N)n2	2628
+c1c(N)cc(cc1)Oc2c3c(cc(OCCOC)c(OC)c3)ncn2	2629
+C(c1c(nc(nc1N)C)Cn2ccnc2-c3cccc(F)n3)CC	2630
+O1CCOC12Cc3sc4ncnc(Nc5cc(c(F)cc5)Cl)c4c3CC2	2631
+O1CCOC12CCc3c4c(sc3C2)ncnc4Cl	2632
+CC(C)(C)OC(N1CCN(CC1)CCCNc2ncc(c(-c3cc4ccc(cc4s3)C(NC)=O)n2)C)=O	2633
+Fc1cccc(F)c1N2C(=O)C=Cc3c2nc(nc3-c4c(C)ccc(C(=O)Nc5sccn5)c4)NCCCNC(C)C	2634
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2c3n(c(cn3)-c4nc(NCc5ccccc5)ncc4)ccn2	2635
+CC(C)(CCNc1nc(-c2n3ccnc(C)c3nc2-c4ccc(F)cc4F)ccn1)O	2635
+c1cc(ccc1N2C(C)c3c(N(C2=O)c4cccc(C#N)c4)nc(nc3)Nc5cccc(CCOC(C)=O)c5)OC	2636
+c1c(cc(cc1)Nc2ncc(c(n2)NCc3cc(ccc3)OC)Cl)CCCO	2637
+FC(F)(F)C(c1c(-n2ccnc2)cccc1)Oc3nc(N)nc(Cl)c3	2638
+FC(F)(F)C(c1ccc(cc1)-c2ccncc2)Oc3cc(nc(N)n3)Cl	2639
+FC(F)(F)COc1nc(nc(CCl)c1)N	2640
+Cc1sc(CNc2c(C)c(nc(n2)OCCCc3[nH]c4c(cccc4)n3)Cl)c(n1)C	2641
+O(n1nnc2c1cccc2)c3nc(Nc4cccc5c4ccn5C)c(cn3)C(=O)N	2642
+FC(F)(F)c1ncc(cc1)-c2cc(nc(n2)-n3cnc(c3)I)C	2643
+Clc1cnc2c(c1)n3c(c(NCCO)n2)nnc3	2644
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3nc(Cl)nc(N4CCOCC4)c3nn2	2645
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	2646
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	2647
+c1cc(ccc1Cl)C(c2cc(c(F)cc2)Cl)c3c[nH]c4c(cccc34)CSC	2648
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	2649
+C1CN(CCC1CC2CCN(CC2)C(C)C)c3ncc(nc3)C(=O)OC	2650
+c1c(C)c(C(Nc2ncc(-c3cc(-c4cnn(C)c4)ccc3Cl)nc2)=O)cnc1	2651
+c1(C)cccc(C)c1-c2cnc(c(-c3cc(C)cc(c3)C)n2)-c4cc(C)cc(C)c4	2652
+c1(C)cccc(C)c1-c2cnc(c(-c3cc(C)cc(c3)C)n2)-c4cc(C)cc(C)c4	2653
+c1cc(ccc1C#N)-c2sc(Nc3cccc(c3)NS(=O)(=O)C)nc2	2654
+c1(cc(cc(C)c1)-c2nc(cnc2-c3cc(C)cc(c3)C)Cl)C	2655
+C1CN(CCN1c2ncc([N+]([O-])=O)c(Cl)c2)C	2656
+FC(F)(F)c1ccc2c(nc(SCC)c(c2N(C)C)C(NCc3cc(ccc3)F)=O)c1	2657
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3c(-c4ccccc4OCC3)nc(N)n2	2658
+c1nc2c(c(N)c1)c(OC)ccc2OC	2659
+Cc1nc(nc(N)c1C)CCCC	2660
+c1cc(ccc1C(=NNc2cc(nc(CC)n2)-c3ccccc3OC)C)N(C)C	2661
+CN(C)CCNS(=O)(=O)c1cc(Nc2cc(nc3c2cccc3)C)ccc1	2662
+CC(C)(C)OC(=O)N(CCn1cc(cn1)-c2cc3nccc(Oc4ccc([N+]([O-])=O)cc4F)c3s2)C	2663
+c1ccccc1CCNC(C(Nc2ccc(Oc3c4c(ncc3)cc(c(OC)c4)OCc5ccccc5)c(c2)F)=O)=O	2664
+n1c(COC(CCCCC)=O)nc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)cc1	2665
+n1c(COC(CCCCC)=O)nc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)cc1	2666
+n1c(nc(Cl)cc1)COC(CCCCC)=O	2667
+c1cc(ccc1OCCCCCCCC)-c2ncc(cn2)C(OCC)=O	2668
+CC(C)(C)OC(=O)Nc1c(C#CC2CCC2)cc(Cl)nc1	2669
+c1ncn(c1)CC(c2ccc(c(c2)Cl)Cl)CCOC3OCCCC3	2670
+c1ncn(c1)CC(c2ccc(c(c2)Cl)Cl)CCOC3OCCCC3	2671
+c1ccc2cc3c(cc2c1)cc(cc3)Cn4c(CCCC)nc(Cl)c4C=O	2672
+C1C(CC1)N2CCc3c(ccc(c3)Oc4c(N5C(=O)CCC5)nccn4)CC2	2673
+O=S(=O)(NC)Cc1ccc(cc1)Oc2nc(nc(c2)CN)C	2674
+FC(F)(F)C(=O)NCC1CCC(CC1)Nc2c3cc(OC)ccc3nc(n2)C=Cc4ncccc4	2675
+C1CC1Nc2c3cc(ccc3ncn2)-c4ccc(cc4)F	2676
+FC(F)Oc1cc(ccc1)Nc2c3cc([N+](=O)[O-])ccc3nc(-c4nccnc4)n2	2677
+C1CC(CCN1C(=O)CN(C)C)Oc2cc3c(ncnc3Nc4ccc(c(Cl)c4)OCc5nccnc5)cc2	2678
+c1cc(ccc1Sc2c(c(ncn2)CC)F)Cl	2679
+CC(C)(C)OC(N1Cc2c(nn(C3CCOCC3)c2CC1)Br)=O	2680
+FC(F)(F)c1n(nc(C(=O)OCC)c1)Cc2c(ccc(Br)c2)OCc3ccccc3	2681
+C1CC(CCN1C)c2nn3c(NCCNc4ncc(cc4)C#N)nc(-c5ccc(cc5Cl)Cl)cc3n2	2682
+CC(c1nnc2n1nc(cc2)C(=O)OC)c3ccc4ncccc4c3	2683
+CC(c1nnc2n1nc(cc2)Cl)c3c(cc4ncccc4c3F)F	2684
+c1(-c2cn3nc(ccc3n2)Cl)cc(ccc1)C#N	2685
+FC(F)(F)c1cc(-c2c(-c3cc4NC(COc4cc3)=O)n(nc2C)C)ccc1	2686
+c1(c(NC(=O)OC(c2ccccc2F)C)c(-c3cc(C)c(cc3)Br)on1)C	2687
+c1cccc(c1C)-c2n3c(c(C)n2)c(nc4ccc(F)cc34)C	2688
+CC1(C)C(C)(C)OB(O1)c2ccc(N)c(OC)c2F	2689
+c1ccccc1-c2ccc3n-4c5c(cc(cc5c3c2)-c6ccccc6)C(C)(C)c7cc(ccc-47)B(O)O	2690
+OB(O)c1cc(c(cc1)S(=O)(=O)C)F	2691
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(N(S(=O)(=O)C)c4cc(Cl)c(Br)cc4)cc3o2)C5CC5	2692
+O=C(c1c(O)c(O)c(Br)cc1)O	2693
+FC(F)Oc1c(C)cc(cc1)C#Cc2ccc(F)c(c2)OCC	2694
+FC(F)(F)c1cc(NC(=O)c2cc(c(cc2)C)C#Cc3n4ncccc4nc3)ccc1CN5CCN(CC5)CCO	2695
+c1cc(ccc1C#Cc2cc3c(C(=O)CCC3(C)C)c(O)c2)CC(=O)OC	2695
+c1ccccc1COc2nnc(C#Cc3cc(Cl)ccc3)cc2OCc4ccccc4	2695
+c1(F)c(cc(cc1)C#Cc2cc(C#N)cnc2)CO	2696
+C[Si](C)(C)C#Cc1ccc(cc1F)N2CC(Cn3nnc(C)c3)OC2=O	2697
+C(OC(CCCc1ccc(O)c(C#N)c1)=O)C	2698
+c1cc(C#N)c(Cl)cc1CC(OC)=O	2699
+c1(c(NC(C)=O)ccc(C#N)c1F)C	2700
+CC(C)(C)[Si](C)(C)OCc1cc(C#N)ncc1	2701
+c1c(F)c(ccc1F)C(C(C)c2cc(C#N)ncc2)(Cn3ncnc3)O	2701
+c1c(F)c(ccc1F)C(C(C)c2cc(C#N)ncc2)(Cn3ncnc3)O	2702
+CN(C)c1oc2c(cc(Oc3cc4c(c(O)c(C(=O)OCCCC)nc4C#N)cc3)cc2)n1	2703
+CC(C)(C)[Si](C)(C)OCc1cc(C#N)ncc1	2704
+c1c2c(ccc(C)c2)[nH]c1C#N	2705
+CC(C)Nc1nc(cc(n1)C#N)C	2706
+CC(C)Nc1nc(cc(n1)C#N)C	2707
+c1cc(ccc1OC)C(=O)C(Br)C	2708
+C1CC(CCN1Cc2ccccc2)c3ccc(cc3)OC	2709
+c1cc(ccc1)COc2c(cccc2-c3ccccc3)C(c4cc(ccc4)-c5c(cccc5)OC)C	2710
+c1cc(ccc1C(N)=NO)CC2C3C(=O)N(Cc4ccccc4)C(=O)C3C(C)(C)N2C	2711
+CC(C)Nc1nc(C)cc(C(N)=O)n1	2712
+CC1(C)CC(CC(C)(C)N1CC(F)(F)F)(c2ccc(c(c2)C=3CCC(C)(C)CC=3)NC(=O)c4nc(c[nH]4)C#N)O	2713
+CC(C)(C)c1cc(cc(c1N(C)C)Cl)C(O)C#C	2714
+c1cc(ccc1C(c2cc(OC)c(c(c2)OC)OC)O)OC	2715
+c1cc(ccc1F)C(O)c2ccc(cc2Cl)Cl	2715
+c1cc(ccc1)COc2c(C(c3cc(-c4c(OC)cccc4)ccc3)=C)cccc2-c5ccccc5	2716
+c1cc(ccc1)CN2CCC(=CC2)c3ccc(cc3)OC	2717
+CC(C)(C)OC(=O)N1CCC(c2ccc(cc2)Oc3ccccc3)=CC1	2718
+C1CC(CCC1c2c(F)c(F)c(C=3CCC(CC=3)c4ccc(c(F)c4F)OCC)cc2)CCCCC	2719
+CC1(C)CCC(c2cc(C(=O)C)ccc2N)=CC1	2720
+C1CCCCC1CC(C(=O)c2c(cc(cc2)OC)OC)Br	2721
+C1CC(CCC1)CCC(c2c(OC)cc(OC)cc2)=O	2722
+c1cc(ccc1Oc2ccc(cc2)C(CC(C(OCC)=O)(C(OCC)=O)NC(=O)C)=O)CCCC	2723
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	2724
+c1cc(ccc1CN2C(c3c(cnc(C(=O)N(C)C)c3CC2)OC)=O)OC	2725
+C1CC(CCC1(C)C)c2cc3c(nc(C)nc3s2)C(=O)N4CCC(CC4)(O)C	2726
+c1cc(ccc1-c2cc(-c3n(c(cc3C)C(=O)N(C)OC)C)ccc2OC)S(=O)(=O)N	2727
+c1cc(ccc1)CN(O)C(=O)c2nccc(N(C)Cc3ccccc3)c2	2728
+CC(C)(C)ON=C1c2c(OC(=C1)c3ncn4c(c3)ccc4)ccc(c2)C(=O)NCCN5CCOCC5	2729
+C1CC1NC(c2nnc(OCc3c(noc3C)-c4cccc(F)c4)cc2)=O	2730
+CC(C)(C)OC(=O)COc1ccc(cc1)CNC(c2ncnc(c2)C(=O)NCc3ccc(c(C)c3)F)=O	2731
+C1CC(CCN1c2cc(C(N)=O)cc(n2)Cl)NC(=O)c3[nH]c(c(Cl)c3)C	2732
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(c4cc(c(s4)OC)-c5ccnn5C)=O	2733
+CC(C)NC(=O)c1sc(cc1OCc2ccccc2C)-n3cnc4ccccc34	2734
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(c4cc(c(s4)OC)-c5ccnn5C)=O	2735
+[nH]1c(C(NC2CN(c3cccc(C(=O)OC)c3)C2=O)=O)c(Cl)c(c1C)Cl	2736
+[nH]1c(C(NC2CN(c3cccc(C(=O)OC)c3)C2=O)=O)c(Cl)c(c1C)Cl	2737
+c1cc(ccc1)-c2nc3n(ccc(c3)NC(c4c(cnn4Cc5ccccc5)C(=O)OCC)=O)n2	2738
+c1ccccc1NC(=O)c2cccc(N3Cc4c(CC3)nc(SC)nc4)n2	2739
+c1cc(ccc1NC(=O)c2c(Cl)c(c(C)[nH]2)Cl)C#C	2740
+c1cc(ccc1CO)NC(=O)c2ccc(Cc3cc(cc4c3oc(C(C)C)c4)Cl)o2	2741
+C[Si](C)(C)c1cc2c(cc(C(=O)Nc3cnc(cc3)N4CC(C4)O)n2Cc5cccc(F)c5)cc1	2742
+FC(F)(F)c1cc(ccc1)N2C(=C(C(c3c(cc(cc3)C#N)C(O)=O)N(C)C2=O)C(=O)OCC)C	2743
+CC(C)(C)c1cc2c(cc(C(=O)O)cc2)cc1	2744
+CC(C)(C)OC(=O)N1c2c(cc(C(=O)O)cc2)CC1	2745
+CC(C)(C)ON=C1C=C(c2ncn3c(c2)ccc3)Oc4ccc(C(O)=O)cc14	2746
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)C(c5cc6ccc(C(=O)NC)cc6cc5)=O	2747
+c1cc(ccc1OC)C(=O)c2c(Cl)c(C)ccc2	2748
+c1c(OC)cc(cc1C(c2cc3c(cc[nH]3)cc2)=O)OC	2749
+C(c1cc2c(cc1)n(C)nn2)(=O)c3cc(OCC)c(OC)cc3	2750
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(c(F)c(c(C(=O)c4ccccc4)c3)F)N5CC(C)OC(C5)C	2751
+C[Si](C)(C)CCOCn1c2ccc(C(=O)c3ccccc3C#N)cc2cc1	2752
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)c4cccc(C)c4	2753
+CC(C)(C)c1ccccc1C2CCNCC2	2754
+Fc1cc(cc(F)c1C2CO2)S(=O)(=O)N(c3c(cc(C)cc3)C)CC(C)C	2755
+c1cc(ccc1C(C)N2CCC(c3ccccc3)(CCc4nnc(C)o4)OC2=O)C5=CC(=O)N(C)C=C5	2756
+c1cc(ccc1C(C)N2CCC(c3ccccc3)(CCc4nnc(C)o4)OC2=O)C5=CC(=O)N(C)C=C5	2757
+C1CCC(C1)C(C(OC)=O)c2cc(CC(=C)C)c(O)cc2	2758
+n1cc(cnc1-c2cccc(c2)CC3=NN(C=CC3=O)c4cn(C)nc4)OCC	2759
+c1(cc(ccc1[N+]([O-])=O)CC(OCC)=O)OC	2760
+CC(C)Cc1c(O)cc(cc1)O	2761
+C[Si](C)(C)CCOC(=O)C(c1c(CCC(=O)c2cccc(C=Cc3nc4c(ccc(Cl)c4)cc3)c2)cccc1)CC	2762
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(OCC)=O)n1	2763
+C1CN2CCC1C(C2)C(c3ccccc3)(O)CCc4ccc(cc4)C(OC)=O	2764
+CC(C)(C)CCc1cccc(N)c1C#N	2764
+c1cc(cc(C)c1OC)CCCCO	2764
+CN(C)CCCc1ccc(c(c1Cl)C)Br	2765
+CC(C)(C)OC(=O)c1ccc(cc1)CCCCO	2766
+c1(OC)c(OC)c(cc2nc(ccc12)CCl)OC	2767
+o1c(c(c2c1ccc(Br)c2OC)C)CCl	2768
+C(CCCC)CCOc1ccnc(c1C)CCl	2769
+C1COCCN1Cc2c(F)cc(Br)c(c2)F	2770
+CC(C)(C)[Si](C)(C)Oc1cccc(CN2CCCC2)c1F	2771
+C1CCCCN1Cc2[nH]c3cc(Oc4sc5ccccc5n4)ccc3c2	2772
+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4c(cnc(c4)CN5CCN(CC5)C)nc3)C)cccc1	2772
+O=S(=O)(c1ccc(cc1)C(CN(Cc2c(C)c3c(s2)C(=O)C(C(NCc4ccc(cc4)Cl)=O)=CN3C)C)O)N	2773
+c1cc(ccc1Cl)CNC(=O)C=2C(=O)c3sc(CN(C)CC(c4occc4)O)cc3N(CC(=O)N(C)OC)C=2	2773
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5cc(CN)ccc5-c4n3)c1F)F	2774
+C(OC)(c1ccccc1-c2ccc(CN)nc2)=O	2775
+ClC(Cl)=C1C2CCC1c3c2cccc3CNC4CC4	2776
+CC(C)(C)C1CCC(CC1)Oc2ccc3c(c2)ccc(CNC45CCC(CC4)(C(OCC)=O)C(C5)O)c3	2777
+c1(C)cc(cc(C)c1NC(OCC)=O)CNc2cccc(c2)F	2778
+c1c2nc(cc(Cl)c2ccc1OC)CO	2779
+CC(C)(C)c1ccc(cc1)Cn2c(cc3c2ccc(OC)c3)COC(C)=O	2780
+c1(c(cc(OC)c(COCCCCl)c1)F)F	2781
+c1cccc2nn(nc12)-c3cc(C)cc(c3O)COCCC(C)C	2781
+C(Cc1c(CO)cccc1)CCCCCCC	2782
+c1(OC)c(OC)c(cc2nc(CO)ccc12)OC	2783
+C1COC2(O1)COC(OC2)(CCOc3c(C)c(CS(c4nc5ccccc5[nH]4)=O)ncc3)CC	2784
+C(CCCC)CCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2	2785
+C(CCCC)CCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2	2786
+c1(cc(cc(OC)c1OC)Cc2ccc(cc2)OC)OC	2787
+c1cc(ccc1Cc2c(c3c(OC(C3)C)c(Br)c2)Cl)OCC	2788
+c1cc(ccc1CC)Cc2ccccc2OC	2789
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C=Cc2cc(C)c(c(C)c2)-c3c(cncc3C)C	2790
+c1cnccc1-c2cccc3c2C(C(=O)N3)=Cc4c(C)c(CCC(O)=O)c(C)[nH]4	2791
+CN(C)C1CN(C(c2c([nH]c(C)c2)C=C3c4c(cccc4NC3=O)-c5cccc(Cl)c5)=O)CC1	2792
+c1c2NC(CCc2cc(c1)C=CCCCl)=O	2793
+c1cc(ccc1S(=O)(=O)N2CCOCC2)C=Cc3ccc(c(OCOC)c3)OCOC	2794
+Clc1ccc(C=NO)c(F)c1C(=O)OC	2795
+c1cc(ccc1Cc2c3c4c(cnc(c4COC)C=NO)[nH]c3ccc2)Cl	2796
+c1(C=O)cc2c(occ2CCNC(C)=O)cc1	2797
+c12ccc(C=O)cc1c3ccccc3n2C	2798
+FC(F)(F)c1cc(cc(C=O)n1)CC	2799
+c1c(Oc2nc3c(s2)cccc3)ccc4cc(C=O)[nH]c14	2800
+c1cc(ccc1Cc2c3c([nH]c4cnc(c(COC)c34)C=O)ccc2)Cl	2801
+Clc1cc(Br)c2c(cccn2)c1	2802
+C1CN(CCC1c2ccc(C(C)=O)cc2Cl)C(=O)C	2803
+C(C(c1ccc(c(Cl)c1)OC)=O)CC(=O)O	2804
+C1CN(CCC1c2ccc(C(C)=O)cc2Cl)C(=O)C	2805
+c1cc(ccc1C2CC(=O)N(C2C(OCC)=O)C)I	2806
+c1(cc(I)c(C=O)cc1Br)F	2807
+c1c(cc(c(c1)CC)I)Br	2807
+c1cc(ccc1)-c2c(cc(I)cc2)OC	2807
+c1(cc(I)c(C=O)cc1Br)F	2808
+FC(F)(F)c1c(F)c(Cl)cc(I)c1	2809
+C1CN(CCN1c2ccc(cc2)F)c3c(-c4ccc(cc4)N(C)C)nc(OC)cc3	2810
+C1COCCN1C2CCN(CC2F)c3cccc(-c4n(C)c5ccccc5n4)c3	2811
+c1cc(ccc1[N+]([O-])=O)N2CC3CCC(COc4ccc(cc4)F)CN3CC2	2812
+FC(F)(F)c1cc(C(NCC(=O)NC2CN(CC2)C3CCN(C3)c4ccc(cc4)C(OC)=O)=O)ccc1	2813
+C1CN(CCN1c2ncnc3CCN(CCc23)c4ccc(cc4)C(=O)C)C5CCC5	2814
+FC1(F)CCN(c2cc(c(N3C=C(C(C(c4n(-c5ccccc5)ncc4)=N3)=O)OC)cc2)F)C1	2815
+CC(C)(C)OC(=O)C1C(N(CC)c2c(CC1)cc(c(c2)OC)N3CCNCC3)=O	2816
+CC(C)(C)[Si](C)(C)OCC1CN(CCN1C2COC2)c3c(c(cc(C#N)c3)NC(OC(C)(C)C)=O)Cl	2817
+C1C(CC1)N2CCC3(CCN(CC3)c4nnc(cc4)Cl)CC2	2818
+c1(cc(cc(F)c1Br)S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C)F	2819
+Cc1c(Cl)cc(N)c(N)n1	2820
+Nc1c2c(ccc1)cnc(c2)COC	2821
+OB(O)c1cc(N)cc(c1)C(O)=O	2821
+c1(cc(C#N)c(C)cc1N)O	2821
+c1ccccc1COc2c(cc(C(=O)C)c(c2)N)OC	2821
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)N	2822
+C1(C)Cc2c3c(c(N)c(c2F)F)C(C(=CN13)C(=O)O)=O	2823
+CC(C)C(=O)Nc1c(N)cc(C(OCC)=O)cc1	2823
+c1(ccc(N)cc1-c2nc(O)c3c(n2)c(CCC)ccn3)OCC	2823
+CC(C)N1c2cc(ccc2C(C)(C)C1=O)N	2824
+c1cc(ccc1-n2c(C(C)(C)c3ccc(c(OC)c3)Cl)cnc2SCc4c(cc(N)cc4F)Cl)F	2825
+C1CCC(C1)c2c(OC(=O)OC)cc(c(CCC(=O)OCC)c2)N	2826
+C1CN(CCC12Oc3c(cc(N)cc3)C(=O)C2)C	2826
+FC(F)(F)C(NC1C2c3ccccc3Oc4c(cc(c(N)c4)Cl)N2CCC1)=O	2826
+C1CN(C(=O)CC)CC1c2c(ccc(N)c2)OC	2827
+C1CN(CCN1CC)c2cc(C)c3c(n2)ccc(c3)N	2828
+CCOc1c(F)cc(c(N)c1Br)Cl	2828
+Nc1cc-2c(OCc3n-2cc(C(=O)OC)n3)cc1	2828
+CC1(C)C(N(c2c(N1)cc(N)cc2)C)=O	2829
+CC(C)(C)OC(=O)N1CC(CC1)(N2CCC(CC2)Nc3cc(c(F)cc3[N+](=O)[O-])C)C	2830
+c1(NC(=O)C)c(Cl)cc(F)c(OCC)c1Br	2831
+c1c(NC(C)=O)ccc2OCc3n(cc(C(=O)OC)n3)-c12	2832
+C1CCCC1CC(C(=O)Nc2ccn(CC(C)(C)O)n2)N3N=CC=CC3=O	2833
+C1CCCC1CC(C(=O)Nc2ccn(CC(C)(C)O)n2)N3N=CC=CC3=O	2834
+C1CN(CCC1CCCC(=O)N)C(=O)Nc2nccc(Oc3ccc4n(C(=O)NC)ccc4c3)c2	2835
+C1CN(CCC1CCCC(=O)N)C(=O)Nc2nccc(Oc3ccc4n(C(=O)NC)ccc4c3)c2	2836
+C1CN(CCC1O)C(=O)Nc2nccc(Oc3cc4c(cc3)n(C(NCCC(C)C)=O)cc4)c2	2837
+c1cc(ccc1)COc2cc(cc(c2)OC(C)COC)C(=O)Nc3nn(cc3)CC	2838
+c1cc(ccc1C#N)NCCN(S(=O)(=O)c2ccccn2)CC3CCCCC3	2839
+C1CN(CCC1Nc2c3cc(ccc3c(-c4c(cccc4)OC)nn2)OC)Cc5cc6ccccc6cc5	2840
+C1CN(CCC12Oc3c(C(=O)C2)cc(NS(=O)(=O)C)cc3)C	2841
+FC(F)(F)C(NC1C2N(CCC1)c3c(cc(NS(=O)(=O)c4ccccc4)c(Cl)c3)Oc5ccccc25)=O	2842
+c1cc(ccc1F)-c2cccn3c2nc(n3)Nc4ccc(-n5cnc(C)c5)c(c4)OC	2843
+c1cnccc1C=Cc2cc(ccc2)Nc3cc(ccc3)S(=O)(=O)N	2844
+c1c(I)cc(c(Nc2c(C(=O)OC)ccc3cncn23)c1)F	2845
+FC(F)(F)c1cc(ccc1)Nc2nccc3c([N+]([O-])=O)c(C)ccc23	2846
+c1(cc(C(=O)OC)c(cc1Br)O)F	2847
+S(C)c1ccc(O)cc1Cl	2848
+c1cc(ccc1O)C23CC2CN(C3)C(C)=O	2849
+c1cc(ccc1O)C23CC2CN(C3)C(C)=O	2850
+CC1(C2CN(C(=O)C12)CCCCCC)c3cc(ccc3)O	2851
+O=S(=O)(C)c1cc(C(O)=O)cc(O)c1	2851
+COc1c(C)ccc(c1)O	2852
+CC1(C)CC(=O)c2cc(O)ccc12	2853
+O=S(=O)(C)c1cc(C(O)=O)cc(O)c1	2854
+CC1(C)CC(=O)c2cc(O)ccc12	2855
+c1c(c(c(c(O)c1)F)F)CCCCCCCCC	2856
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(CC(C)C)c3ccc(cc3)C(OC)=O)C	2857
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCOc3ccc(cc3)C	2858
+CC(C)(C)OC(=O)N1C(CCC1)COc2ccc(cc2)Oc3ccccc3	2859
+O=C(OCC)C(C(=O)OCC)CCCOc1cc(ccc1)C#CCCCCCC	2860
+c1cc(ccc1C)S(=O)(=O)NCCc2c(OCCN3CCCCC3)cccc2	2860
+C1CC1CCOc2ccc(cc2)OC3C(=O)NCC3	2861
+n1cc(cnc1-c2c(c(F)c(cc2)OCC(CCCCCCCC)F)F)-c3ccc(nc3)OCCCCCCCC	2861
+CC(C)(C)OC(NCc1ccc(cc1)-c2cccc(OCCCCOCc3ccccc3)c2)=O	2862
+c1cc(ccc1OCc2nc3cccnc3cc2)C(=O)Cc4ccncc4	2862
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(C)c(CC(=O)OC)cc3)C)c(C(C)C)n2	2863
+CC(C)(C)CCc1c(OCc2cccc(C(C3CC3)CC(=O)OCC)c2)ccc(-c4cc(ccc4F)OC)c1	2864
+CC(C)(C)OC(N1CCC(CC1)Oc2nnc(c(c2)-c3cc(Br)c(cc3)OC4CCCCC4)CCCC)=O	2865
+c1cc(ccc1OCCc2ccc(cc2)COC)CC(CC)C(OC)=O	2866
+C1CC(CCCC1)COc2cc(ccc2)C=O	2867
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3c(cc(OC(C)(C)C(OC)=O)c(Cl)c3)Cl)c2	2868
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(C)c(CC(=O)OC)cc3)C)c(C(C)C)n2	2869
+c1cc(ccc1F)OCc2cc(ncc2)Cl	2870
+FC(F)(F)C(C(c1cc(Oc2ccc(C(OC)=O)c(c2)Cl)ccc1Cl)C)(c3cc4N(C(=O)COc4cc3)C)O	2871
+CC(C)(C)OC(=O)NC1CN(CC1)C(CN(c2ccc(cc2)Oc3ccccc3)C(=O)C=Cc4ccccc4)=O	2872
+c1cc(ccc1[N+]([O-])=O)Oc2ccc(cc2)-c3occn3	2873
+c1cc(ccc1)Oc2cc(C)c(c(c2)C)C(C)=O	2874
+c1c(cc2nsnc2c1)Oc3c(cccn3)C(OCC)=O	2875
+c1(C)cc(cc(C)c1S(=O)(=O)N(CCO)C2CC2)OC	2876
+C1CC1NS(=O)(=O)c2c(OC)ccc(Oc3c(cc(cc3Cl)CC4C(=O)NC(=O)S4)Cl)c2	2877
+C1CC(CCC1)NS(=O)(=O)c2cc(C(O)=O)c3c(c2)OCCO3	2878
+c1ccccc1S(=O)(=O)c2cc(c(CCC)cc2)S(=O)(=O)NCCc3ccccc3	2879
+c1cc(ccc1S(=O)(=O)Nc2c(cc(Cl)cc2)C(=O)c3ccccn3)C4(CCOCC4)C	2880
+O=S(=O)(c1ccc2c(c3cc(ccc3s2)S(=O)(=O)NC)c1)Nc4ccccc4S(=O)(=O)N	2881
+CN(C)Cc1cc(-c2cc3c(cc2F)n(nc3)C4OCCCC4)cnc1	2882
+O=S(=O)(c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1)N	2882
+c1(CO)c(c(cnc1)-c2cc3CCC(N(c3cc2F)C)=O)C	2882
+c12c(N(C(=O)O1)C)cc(cc2)-c3cnccc3C(C)O	2882
+c1(CO)c(c(cnc1)-c2cc3CCC(N(c3cc2F)C)=O)C	2883
+c1cc(ccc1CC(OCC)=O)-c2c(C)cc(cc2)-c3onc(C)c3NC(OC(c4c(F)cccc4)C)=O	2884
+O=S(=O)(c1ccc(-c2cc(ccc2F)Br)c(OC)c1)CC	2885
+C(=C(C(=O)O)OC)c1cc(c(cc1)-c2cc(ccc2)N(C(=O)NCCCCCCC)C)OCCCC	2886
+c1ccccc1COC(N2CCCC2c3ccc(cc3)-c4cc(NC(C5CC5)=O)ccc4)=O	2887
+Clc1cc(c(cc1)-c2cc(c(cc2)CC)[N+]([O-])=O)F	2888
+C(C)N(CC)C(=O)c1c(c2c(c(-c3ccc(cc3)OC)c1)cccc2)OC	2889
+CC(C)(C)c1cc2C(=O)C(Cc2c(-c3ccccc3)c1OCC(C)C)C	2889
+CC(C)(C)c1cc2ccc3ccc(-c4ccc(cc4)Cl)c5ccc(c1)c2c35	2889
+CC1(C)c2cc(-c3cc(Cl)ccc3)ccc2NC1=O	2889
+c1ccccc1-c2ccc(C)c(C#N)c2	2889
+c1cc(ccc1)-c2cc3c(NC(C3)=O)cc2	2890
+c1cc(ccc1C2(CC2)C(=O)OCC)-c3ccc(cc3)-c4c(NC(CCc5c(Cl)cccc5)C)c(no4)C	2891
+c1cc(ccc1F)C=CC(F)(F)C(O)c2c(C)noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC	2891
+c1ccccc1C(C)CNCc2c(noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)C	2891
+c1ccccc1C2C(C2)C(Nc3c(-c4ccc(cc4)-c5ccc(cc5)C6(CC6)C(=O)OCC)onc3C)C	2891
+c1cc(ccc1-c2cc3OCOc3cc2-c4ccc(cc4)F)S(=O)(=O)N	2892
+c1(c(cc(OC)c(c1)C(=O)O)-c2ccccc2OCC)Cl	2893
+C1CCCCN1c2cc(c(cc2)[N+](=O)[O-])-c3nccc(c3)C=O	2894
+CC(C)(CC1(CCN(C(O1)=O)C(C)c2ccc(cc2)-c3nnc(C)cc3)c4ccccc4)C#N	2895
+CC(C)(c1cc2[nH]c3c(c(-c4cccc(c4C)N5C(N(C)c6c(ccc(F)c6)C5=O)=O)c(cc3C(=O)N)Cl)c2cc1)O	2896
+C(OC)CCOc1cc(CCC(OCC)=O)ccc1-c2cnccc2	2897
+C1CC1c2c(cncc2F)-c3cc4CCc5nnc(C)n5-c4c(F)c3	2898
+CCOC(c1c(n(C2COCC2)nc1)-c3ccc(cc3[N+]([O-])=O)-c4c(cc(OCC)nc4C)C)=O	2898
+c1cc(ccc1-c2cc3ccncc3nc2O)N4C(C(C)(C)OC4=O)c5ccccc5	2898
+CC(C)(C)C(NC(=O)c1ccc([n+](c1)[O-])-c2c(c(F)cc(C(NC3CC3)=O)c2)C)C	2899
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(nn2)-c3ccc(cc3OC)O	2900
+FC(F)(F)c1c(c(c(COc2cnc(cc2)-c3ccc(cc3C)CC(=O)OC)cc1)C(OC(C)(C)C)=O)O	2901
+c1cc(ccc1C(CC)(CC)c2cc(C)c(C=CC(CC)(CC)O)cc2)-c3ncc(cc3)CC(OCC)=O	2902
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cncc(c3)NC(Cc4ccccc4)=O	2903
+CC(C)(C(O)=O)c1cncc(-c2ccc3c(CCC(=O)N3C)c2)c1	2904
+CC(C)(C)OC(NCCOc1cncc(-c2cc3CCC(=O)N(C)c3cc2)c1)=O	2904
+CC(C)(CC1(CC(N(C(C)c2ccc(cc2)-c3ccc(O)nc3)CC1)=O)c4ccccc4)O	2904
+FC(F)(F)Oc1cnc(cc1)-c2ccc(C(O)(C(C)(C)C)c3cncnc3)c(C)c2	2905
+O=Cc1ccc(cc1[N+]([O-])=O)-c2ncccc2	2905
+c1cc(ccc1-c2c(cccn2)C(O)CCCc3ccccc3)-c4ccc(cc4)C5(CC5)CC(=O)OCC	2905
+O=S(=O)(N(C)c1c(cc2c(oc(C34C(CCC3)C4)c2C(NC)=O)c1)-c5nc-6c(cc5)OCn7c8cccc(F)c8cc-67)C	2906
+c1cc(ccc1C23CCC(CC2)(OC3)CC(OC)=O)-c4ncc(N)cc4	2907
+O=S(=O)(C)NCc1cc(F)cc(c1)-c2c([N+]([O-])=O)c(ccn2)N	2908
+c1cc(ccc1-c2nc(N)sc2C)OC	2909
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	2910
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2cccc(-c3nc(C4CCOC4)sc3-c5nc(ncc5)Cl)c2F	2911
+c1(cnccc1-c2cc(c(nc2-c3c(cccc3)F)N)[N+]([O-])=O)F	2912
+c1cc(ccc1)-c2noc3c2c(nc(C(=O)OCC)c3O)-c4cn(Cc5ccccc5)nn4	2913
+c1cc(ccc1C(C)(C)O)-c2cnc3NC(=O)CN(CCC4CCOCC4)c3n2	2914
+CC(C)(C)OC(=O)NC1(CC1)c2ccc(cc2)-c3c(-c4ccccc4)nc5-c6ccccc6Nc7ncccc7-n35	2915
+c1cc(ccc1-c2cnn(C)c2N)-c3ccc(cc3)C4(CC4)C(=O)OCC	2916
+C1CC1C(=O)N2C(C)CCc3c2ccc(-c4cnn(c4N)C5CC5)c3OC6CCC6	2917
+C1C(CC1=O)(c2ccc(cc2)OCc3cc4c(-c5ccc(OCCOCC)cc5C)csc4cc3)CC(OCC)=O	2918
+Clc1cc2c(c(sc2cc1)-c3ccnc(n3)N)CC	2919
+CC(C)(C)OC(NC(C)c1cc(no1)-c2[nH]c3c(ccc(c3)C(F)(F)F)n2)=O	2920
+CC1(C)OCC(CO1)c2cc(cnc2)-c3nc4cccc(-c5ccccc5)c4c(NCc6ncccc6)n3	2921
+c1cc(cc(c1)-c2c(C)nc3c(c(Cl)ccc3)n2)F	2922
+CC1CN(CC(C)O1)c2c(cc(c(F)c2F)-c3cnc(N)cn3)C=O	2923
+c1c(c(C=O)c(c(c1)-c2ccnc(Cl)n2)C)OC	2924
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)-c4c(F)cncn4)=O	2925
+c1cc(ccc1S(=O)(=O)N)-c2nn(C3CCOCC3)c4ccnc(OC)c24	2926
+CC(C)(C)OC(=O)N1CC=C(c2sc(nn2)-c3ccc(-n4cccn4)cc3OC)CC1	2927
+FC(F)(F)c1cc(ccc1OCCCOC2CCCCO2)B(OC(C)C)O	2928
+COB(O)c1cc(c(F)cc1)OC	2929
+OB(O)c1ccc(CCOC(Nc2cccc(C#N)c2)=O)c(CC)c1	2930
+c1(cc(cc(Cl)c1C)Br)Cl	2931
+c1ccccc1C2c3ccc(OC)cc3CCN2	2932
+c1ccccc1C2c3ccc(OC)cc3CCN2	2933
+c1cc(ccc1)C=2c3ccc(cc3CCN=2)OC	2934
+c1c(c(O)c(Cl)cc1)CC=C	2935
+FCC1(CF)Oc2c(cc(I)cc2)C(=C1)C(OCC)=O	2936
+O=S(=O)(c1cc(cc(C(O)=O)c1)N)C	2937
+c1(F)c(Br)cc(C=O)c(N)c1	2937
+c1cc(ccc1N)C23CN(CC2C3)C(C)=O	2938
+C1CC(CCN1C(=O)C)c2c(cc(C(=O)C)cc2)N	2939
+CC1(C)CC(c2cc(N)ccc12)=O	2940
+c1(cc(F)ccc1Oc2c3c(nc(cc3)Cl)ccc2OC)F	2941
+C1CNCCN1c2ccc3c(c(ccc3)Br)n2	2942
+CC(C)(C)OC(=O)NC1CCCN(c2ccc(Nc3c(cnc4ccc(nc34)-c5cc(c(c(F)c5)O)Cl)C(C)=O)cn2)C1	2943
+c1(cc2cc(OC)ccc2nc1Cl)[N+]([O-])=O	2944
+c1(cc2cccc(C)c2nc1Cl)[N+]([O-])=O	2944
+c1c2c(ccc(c2Oc3c(cc(F)cc3)F)OC)nc(O)c1	2945
+CC1(C)CC(=O)Nc2cc(ccc12)C(C(=O)OCC)CCCCC	2946
+CC(C)(C)OC(CNC(C=1C(=O)C(C)(C)c2c(ccc(c2F)O)C=1O)=O)=O	2947
+C1(=O)c2c(NC1=O)c(c(Cl)cc2)C	2948
+c1c(C)nc(cc1-c2nc3cc(cc(F)c3c(O)n2)F)C	2949
+c1cc(ccc1)OCc2c3ccc(OC)cc3c(Cl)nn2	2950
+C1CN(CCC1Nc2c3cc(ccc3c(-c4c(cccc4)OC)nn2)OC)Cc5cc6ccccc6cc5	2951
+c1(O)nnc(c2ccc(OC)cc12)-c3cc(F)ccc3	2952
+c1(ccccc1-c2nnc(Cl)c3c2ccc(OC)c3)OC	2953
+Clc1cccc(c1)-c2oc3C=CN(c4cc5c[nH]nc5cc4)C(c3c2)=O	2954
+CC(C)(C)OC(n1c2c(c(OC)ccc2)c(N)n1)=O	2955
+CC(C)(C)Cc1nc2c(ccc(S(=O)(=O)C(C)C)c2)n1CC3CC3	2956
+CC(C)(C)OC(=O)N1CCC(CC1)n2c(nc3c2ccc(C)c3)-c4ccccc4	2957
+CC(C)Cn1c2c(nc1COc3cccc(OCC)c3)ccc(O)c2	2958
+CC1(C)c2c(cc3[nH]c(SCc4ccccn4)nc3c2)C(C)(C)CC1	2959
+C1CC1n2c3c(nc2-c4cccnc4)ccc(c3)C#N	2960
+C1CN(CCC1n2ncc(-c3cc(c(nc3)N)-c4oc5c(ccc(OC)c5)n4)c2)C	2961
+C1CC(CCN1C)Oc2cc(cc3ncnc(Cl)c23)OC	2962
+C1CN(CCC1Oc2cc(OC)cc3c2c(Nc4n[nH]c(CC(O)=O)c4)ncn3)C	2963
+c1(oc2c(c1)cc(C)cc2)C(=O)OCC	2964
+CC(C)(C)OC(=O)N1C(Cc2oc3ccccc3n2)CCCC1	2965
+FC(F)(F)c1cc2nc(oc2cc1)-c3c(I)cncc3	2966
+c1cc(ccc1)Cn2c(cc3nc(Cl)ccc23)-c4ncco4	2967
+Fc1cccc(F)c1-c2nc3c(s2)c(OC)cc(c3)OC	2968
+Fc1cccc(F)c1-c2nc3c(s2)c(OC)cc(c3)OC	2969
+c1c(OC)c2ccsc2c(F)c1	2970
+c1(cc(F)ccc1Oc2c3c(nc(cc3)Cl)ccc2OC)F	2971
+c1cc(ccc1OC)C(=O)c2cc3c(nc(nc3cc2)Cl)-c4cc(ccc4)Cl	2972
+c1cc(ccc1OC)C(=O)c2cc3c(nc(nc3cc2)Cl)-c4cc(ccc4)Cl	2973
+C1CCCC(n2c(OC)nc3c(nc(OCC(C)CC)nc23)N)O1	2974
+CC1(C)CC(N(c2cc3[nH]c(nc3cc12)-c4[nH]nc5ccccc45)CC)=O	2975
+c1cc(ccc1OC)C(c2cc3c(nc(nc3cc2)O)-c4cccc(Cl)c4)=O	2976
+c1(c(c2[nH]ccc2cc1Br)C(=O)O)F	2977
+c1(cc2n[nH]cc2cc1Br)F	2978
+FC(F)(F)c1ccc(cc1C)C#N	2979
+c1cc(ccc1)-c2c(oc(n2)C)-c3ccc4n(c3)c(nn4)C(C)C	2980
+N#Cc1ncc(C)cc1[N+](=O)[O-]	2981
+FC(F)(c1ccc(C)cn1)CO	2982
+C(CCOCCCc1ccc(cn1)[N+]([O-])=O)CCCBr	2983
+n1cc(c2cc(OC)c(cc2c1F)F)OC	2984
+C1CC1Nc2ncc3CN(c4cc(-c5nccs5)c(Cl)cn4)CCc3n2	2985
+C1CC(CCN1c2c(C#N)cc(C(=O)OCC)c(n2)C)S(=O)(=O)NS(=O)(=O)Cc3ccccc3	2986
+c1cc(-c2c(C)ccc3c2ccnc3NCc4cc(OC)c(cc4)OC)cc5c1nc(NC)nc5	2987
+Cc1nc(c(cc1C(=O)OCC)C#N)NC2CCC(C(=O)O)C2	2988
+c1(cccc(F)c1)COc2nc3c(C(NCC3)=O)cc2	2989
+CN(C)CCNC(=O)Cn1cc(-c2ncc3[nH]c4ncc(OC)cc4c3c2)cn1	2990
+c1c(Cl)nc2c(C(NCC2)=O)c1	2991
+Nc1cc(OCC#C)c(OC)cc1C(=O)OC	2992
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C)cccc2F	2993
+CC(C)(C)OC(N1CC=C(CC1)c2c(C)cccc2F)=O	2994
+c1c(C)c(c(cc1OCC2CN(C)c3ccccc3O2)C)C(=O)Cl	2995
+CC(C)c1cccc(C(C)C)c1C(Cl)=O	2996
+C(NC(C)=O)Cc1cc2c(OCO2)cc1CC#N	2997
+CC(C)c1c(cc2OCOc2c1)CC#N	2997
+c1cc(ccc1)[Si](c2ccccc2)(Oc3cc(OC)c(c(c3)OC)CO)C(C)(C)C	2998
+O=S(=O)(O)c1cc(c(cc1OC)OC)N	2999
+c1(cc(c(CNC(c2cn(nc2OCC)CCOc3c(CC(OC)=O)cccc3OCC)=O)cc1)Cl)Cl	3000
+c1(cc(c(CNC(c2cn(nc2OCC)CCOc3c(CC(OC)=O)cccc3OCC)=O)cc1)Cl)Cl	3001
+c1cc(ccc1S(=O)(=O)N)-c2cc(-c3c(C)c(c(s3)C(OC)=O)C)ccc2OC	3002
+C1CC(CCC1)N2N(C(C)=C(NC(=O)c3c(c(Br)on3)C)C2=O)C	3003
+C1CC(CCC1)N2N(C(C)=C(NC(=O)c3c(c(Br)on3)C)C2=O)C	3004
+FC(F)(CNC(c1ncccc1C)=O)c2c(cc(Cl)cc2)Cl	3005
+CC(C)(C)OC(=O)NC1=NC(c2c(c(F)cc(c2)NC(=O)c3ncc(C#N)cc3C)F)(COC1)C(F)F	3006
+FC(F)(F)c1c2c(c(C3CCN(CC3)C(=O)C)cs2)ccc1	3007
+C1Cc2c(CC1)c(NC(=O)C)cc(F)c2C	3008
+Fc1c(F)c2c(c(NC(=O)C)c1)CCCC2	3008
+O=S(=O)(NC1c2cncc(-c3cc(c4c(CCC(=O)N4C)c3)F)c2CCC1)CC	3009
+C[Si](C)(C)CCOCn1cc(nc1-c2ccc(cc2Cl)-c3c(cc(nc3)OCC4(CCC4)C(OCC)=O)C)C(F)(F)F	3010
+Clc1ccc(c(Cl)c1)-c2cnc(cc2C#N)N	3011
+CC1(C)Cc2c(O1)cc(cc2-c3cnc(N)c(c3C)C#N)Cl	3012
+FC(F)(F)c1c2c(n(c(n2)Oc3c(C)cc(Cl)cc3Cl)C)c(C(CC)CC)cc1	3013
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3sc(NC(=O)C4CC4)nc3cc2)c(Cl)cc1F)=O	3014
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3sc(NC(=O)C4CC4)nc3cc2)c(Cl)cc1F)=O	3015
+CN(C)c1ncc(c(C)c1)Nc2nc3c(c(C(CC)CC)ccc3Cl)n2CCCC(=O)OCC	3016
+C1CN(CCN1C)c2c3nc(-c4[nH]nc5c4ccc(Br)c5)[nH]c3ccc2	3017
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3c(nc(N)s3)cc2)c(Cl)cc1F)=O	3018
+C1COC2(O1)CCN(CC2)C(=O)Nc3nc4c(s3)c(C5CCOCC5)ccc4OC	3019
+c1c(C(=O)OC)sc2c(F)ccc(OC)c12	3020
+C1CN(CCO1)c2ccc(c3nc(N)sc23)OC	3021
+c12C(CCc1c(cc(Br)c2F)F)O	3022
+C1CN(CCC1N2CCCCC2)c3c(C(C)=O)cc(c4cccnc34)Cl	3023
+c1cc(ccc1Oc2c3c(ccc2)c(c(nc3C#N)C(=O)OC)O)OC	3024
+C1CNCCN1c2c(cccn2)OC	3025
+O=S(=O)(Nc1cc(cnc1Cl)Nc2ncccc2-c3nc(C)nc(N)n3)N4CCOCC4	3026
+c12CCCCc1nc(c(c2)[N+]([O-])=O)N	3027
+S(c1cc(Oc2c(nccc2)CC)c(N)nc1)c3ccccn3	3028
+O(c1c(OCC)cccn1)C	3029
+c1ccccc1-c2nnc(Cc3ccc(cc3)Oc4ncccc4-c5ccnc(n5)NC)c6ccccc26	3030
+c1cc(ccc1-c2c(O)nccc2)C(OC)=O	3031
+c1cc(ccc1-c2c(O)nccc2)C(OC)=O	3032
+CC(C)(C)OC(=O)N1CCc2c(cc(cc2)-c3c(cccn3)OCc4cc(C)ccn4)CC1	3033
+c1([N+]([O-])=O)ccc(nc1)Oc2c3c(OCC(C3)C)ccc2	3034
+C1CCCCN1C2Cc3cc(Oc4ncc(cc4)C(=O)NC)ccc3C2	3035
+c1ccccc1COc2c3n(ccc2)cnc3	3036
+C1CN(CCN1C2COC2)c3c(F)cc(Nc4nc(Cl)ncn4)cc3	3037
+c1(-n2cc(nc2)CO)c(cc(cc1)Nc3nc(nc(Cl)n3)OC)OC	3038
+CC(C)c1ccc(nn1)N	3039
+C1C(CN1c2nc(C)nc(-n3nc(nc3C)C)c2)c4nc5ccccc5[nH]4	3040
+CC(C)(C)OC(NC(C(=O)OCc1ccccc1)CCc2nc3c([nH]2)cc(C)c(C)c3)=O	3040
+C1COCCN1c2cc3c([nH]c(n3)C(F)F)c(C(=O)OC)c2	3041
+C1CC2(CCN1Cc3n(CC)c4nc(Cl)nc(c4n3)N5CCOCC5)CCNC2=O	3042
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(-c3[nH]c4ccccc4n3)ccc2	3043
+c12cnc(Cl)c(F)c1c3c(nccc3)[nH]2	3044
+C(c1cnn(c1)CCF)#Cc2cc(-c3cccnc3F)ccc2	3045
+FC(F)(F)c1nn(cc1C(N(C2CCN(CC2)c3nnc(c(C)c3C)-c4ccc(cc4)F)C)=O)Cc5ccc(cc5)OC	3046
+c1([N+]([O-])=O)ccc2c(cn(c2c1)C)C(=O)O	3047
+[nH]1c2c(c(C(=O)c3cc([N+]([O-])=O)ccc3)c1)cc(cn2)-c4cnccc4	3048
+O=S(=O)(n1ncc(c1)C=O)c2ccc(cc2)C	3049
+CC(C)(C)NS(=O)(=O)c1cn(C)c(C(OC)=O)c1	3050
+O=S(=O)(c1cccc(-c2sc(cc2)-c3nn(C)cc3-c4ccccc4Cl)c1)C	3051
+CC(C)n1cc(-c2nc(N)ncc2)c(I)n1	3052
+c12c(cncc1sc(-c3c(F)cccc3Cl)n2)F	3053
+Clc1cc(cc(Cl)c1)-c2ccn[nH]2	3054
+c1cnccc1-c2cc[nH]n2	3054
+c1ccccc1CCCC(n2cnc3c(nc(nc23)Cc4cc(c(cc4)Cl)OC(F)F)O)C(O)C	3055
+Clc1cccc(c1)-c2c(ncn2C)-c3cc(C#N)ccn3	3056
+c1cc(ccc1Cl)-c2c(n[nH]c2N)C3CC3	3057
+Cc1cc(ccc1)CC(N2CCc3c2ccc(-c4c5c(n(CC)n4)ncnc5N)c3)=O	3058
+C1CN(CCO1)C(c2c(n(C)nc2)C(=O)Nc3cc4n(nc(N5CCCC5)n4)cc3)=O	3059
+C(OC)CCNC(c1cnc(-n2ncc(c2OC)-c3cc(C)c(cc3)C#N)cc1)=O	3060
+C(OC)CCNC(c1cnc(-n2ncc(Br)c2OC)cc1)=O	3061
+c1c(F)c(c(cc1CCC2NCCCc3n(CC)nc(C)c23)F)C	3062
+c1c(F)c(c(cc1CCC2NCCCc3n(CC)nc(C)c23)F)C	3063
+C1C(CN1c2ncnc3c2c(I)nn3C)F	3064
+n1(ncc2c(c(cnc12)C(=O)OCC)O)CC	3065
+FC(F)c1cc(c(cc1-c2ccnn2C(C)C)C(OC)=O)N	3066
+c1cc(ccc1[N+](=O)[O-])Nc2c3ncn(C)c3nc(Cl)n2	3067
+c1cc(nc(Cl)c1OCOC)C#N	3068
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	3069
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	3070
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	3071
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(C(=O)N)n(C)c2CC3CCCCC3	3072
+c12[nH]c(cc1cc(Oc3cnc(cc3)COC)cc2OC)C(=O)N	3073
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(c2)cc(C(N)=O)[nH]3	3074
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(N)=O)n(C)n4	3075
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(N)=O)n(C)n4	3076
+NC(=S)c1cc2c([nH]1)c(cc(c2)Oc3cnc(cc3)COC)OC	3077
+NC(=S)c1cc2c([nH]1)c(cc(c2)Oc3cnc(cc3)COC)OC	3078
+c1cc(ccc1Cn2nc(cc2-c3cc(C)c(Cl)cc3)C(Cl)=O)C	3079
+CC1CCCC(C)N1C(=O)c2csc(n2)Br	3080
+C1CN(CCO1)C(=O)c2[nH]cc(C)c2-c3ccc(cc3)Cl	3081
+c1cc(ccc1F)-n2c(COc3cnc(C(NC(C)(C)CO)=O)cn3)c(C)nn2	3082
+C1CC1NC(c2ncc(OCc3c(C)onc3-c4ccccn4)cc2)=O	3083
+C1COCCN1CCNC(=O)c2cc(c([nH]2)C=O)C	3084
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(c2F)CNC(c3cc4c(c(C)ccc4)[nH]3)=O)c1	3085
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(n(C)n4)C(Cl)=O	3086
+c1(CCC(OCC)=O)[nH]cc(c1)CCCC	3087
+ClCc1nc2c(cc3c(c2)CC4(c5cccnc5NC4=O)C3)cc1	3088
+ClCc1nc2c(cc3c(c2)CC4(c5cccnc5NC4=O)C3)cc1	3089
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc3c(n2)nc(-c4cccc(c4)[N+]([O-])=O)o3)=O	3090
+C1CN(CCO1)c2nc(Cl)nc3c2nc(CN4CC(C4)C5CCOCC5)cc3	3091
+CC(C)(C)OC(=O)Nc1nc(CN2CCCC2)ccc1	3091
+C1CN(CCN1Cc2nccc(OC)n2)c3nc4N(CCCc4c(O)n3)C	3092
+CC(C)(C)OC(=O)N(C)CCCCN(Cc1c(C)cc(cn1)C)Cc2nccc3c2cccc3	3093
+O=C1c2ccccc2C(=O)N1CCCCN(C3c4c(CCC3)cccn4)Cc5nc6ccccc6n5C	3094
+CC(C)(C)OC(=O)N(C)CCCCNCc1c(C)cc(C)cn1	3095
+c1(N2CCOCC2C)nc(Cl)nc(CO)c1	3096
+c1c(ccc(C=Cc2occ(COc3cccc(c3)CCCn4nncc4)n2)c1F)F	3097
+c12cc3c(cc1nc(cc2)CO)CC4(c5cccnc5NC4=O)C3	3098
+CC(C)(C)OC(N1CC(Nc2c3c(Cl)cccc3cc(n2)C=4NNC(=O)N=4)CC1)=O	3099
+c1ccccc1-c2cc3c(C(C(=O)N3)=Cc4[nH]c(c(C(=O)NCCCN(CC)CC)c4C)C)cc2	3100
+CC(C)(C)[Si](C)(C)Oc1c(Br)ccc2ccc(nc12)C=NNc3ncccc3	3101
+CC(C)(C)OC(=O)N1CC2(C1)OCc3c2cnc(C=NO)c3	3102
+CC(C)(C)OC(=O)N(CC(=O)OC(C)(C)C)c1nc(ccc1)C=NO	3103
+c1cc(ccc1-c2cc([nH]n2)C=O)OC	3104
+c1ccccc1-c2noc(c2-c3cn(-c4ccc(cc4)[N+]([O-])=O)c(n3)C=O)C	3105
+CC(C)(C)OC(N(c1cccc(n1)C=O)CC(OC(C)(C)C)=O)=O	3106
+c1cc(ccc1)C(c2ccccc2)C(=O)Nc3cnc(nc3O)C=O	3107
+O=Cc1csc(-c2c(cc(C)cc2)[N+]([O-])=O)n1	3108
+c1cc(ccc1C(C(=O)Nc2sc3nc(OC)ccc3n2)CC4CCCC4)S(=O)(=O)CC(C)=O	3109
+C1CC(CCN1C(Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)=O)(O)C	3110
+C1COCCC1C(NC(Nc2ncc(cc2)Oc3ccnc(NC(=O)C)c3)=O)=O	3111
+C1N(CC1Oc2ccc(cc2)Cl)CC3C(CCCC3)NC(=O)Nc4nnc(s4)CC	3112
+CC(C)(C)c1cc(n(-c2ccc(cc2)CC(OCC)=O)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	3113
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(C(Nc4cnc(cn4)C)=O)cc(OC5COCC5)c3	3114
+n1c(C)cc(nc1SCc2c(c(SCCCSc3nn4c([N+](=O)[O-])cnc4cc3)ccn2)C)C	3115
+c1([nH]c2c(cccc2)n1)-c3n[nH]c4c3cc(I)cc4	3116
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(C(NCC(CO)O)=O)cnn14	3117
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c(nc3cc(ccc3c12)OCc4ccccc4)N	3118
+C1COCCN1c2c3c4ccncc4[nH]c3ncn2	3119
+c1ccccc1Nc2c3ccc(Cl)nc3ncn2	3120
+FC(F)(F)c1c(sc(CNC(=O)OC(C)(C)C)n1)C#N	3121
+CC(C)(C)Nc1nc(SC)ncc1C(=O)N	3122
+CC(C)(C)OC(=O)N1CCCC(c2cc(c(N)nc2)-c3n(-c4c(c(F)ccc4)F)nnn3)=CC1	3123
+C1CN(CCS1)C(c2c3n(ccc3c(Nc4cccc(Cl)c4)nc2)C)=O	3124
+C[Si](C)(C)CCOCn1c2c(c(c1)C(=O)NCC(C)(C)CO)nc(-c3c4ccc(cc4n(C)n3)F)cn2	3125
+c1cc(ccc1C(C#N)NC(=O)c2nnn(c2)CCNC(c3c(c(c(cc3)OC)OC)OC)=O)Br	3126
+FC(F)(F)c1c(-c2nc(C(Nc3ncccc3N4CCC(CC4)(NC(=O)OC(C)(C)C)C)=O)c(nc2)N)nccc1OC	3127
+FC(F)(F)c1c(-c2nc(C(Nc3ncccc3N4CCC(CC4)(NC(=O)OC(C)(C)C)C)=O)c(nc2)N)nccc1OC	3128
+C1CC(CCN1c2nc(Cl)c(CO)nc2Cl)=NOC3CCN(CC3)C(=O)OC(C)C	3129
+CC(C)(C)OC(=O)Nc1cccc(c1)Nc2nc(SC)ncc2C=O	3130
+c1c(C(OC)=O)ncc(N)c1N	3131
+CC(C)(C)OC(=O)NC(C(Nc1cnc(nc1)Oc2cccc(C(C)C)c2)=O)C	3132
+c1cc(ccc1-c2cc(c(N)nc2)OCc3c(Cl)cccc3Cl)OCCN4CCOCC4	3133
+C1CCCCC1NC(C2(CC2)c3ccc(-c4ccc(C(NCC)=O)nc4)cc3F)=O	3134
+c1cc(ccc1)-c2nc(nnc2-c3cc4ccoc4cc3)N	3135
+CN(C)C(Cc1cc(cnc1)-c2cnc3N(C(=O)N)CCCc3c2)=O	3136
+C1CC(CCC1=O)n2ncc(c2)-c3cnc4[nH]cc(C(C)c5c(Cl)ccc(F)c5Cl)c4c3	3137
+c1ccccc1CCCN2c3c(N(C(=O)C(F)(F)C2)C)cnc(Cl)n3	3138
+c12c(O)c(C#N)cnc1cc(c(OC)c2)F	3139
+c12c(O)c(cnc1cc(c(OC)c2)F)C(=O)N	3140
+C1CN(CCC1c2ccc(cc2)F)C(=O)c3cnc(cc3Nc4cc(C)ccc4Cl)O	3141
+c1cc(ccc1-c2n(cc(C(=O)N3CC4C(C3)C4)c2C)C)Cl	3142
+c1cc(ccc1-c2c(ncc(C(=O)NC3CCCCC3O)c2)Cl)Cl	3143
+c1cc(ccc1F)-c2c(n(nn2)C)C#Cc3ccc(C(NC4CCOCC4)=O)cn3	3143
+CC(C)Nc1cc(ncc1C(NC2CCC3(CC2)OCCO3)=O)Nc4cc5c(ncs5)cc4	3144
+C1CCCN1CCCNC(=O)c2c(c3c(C4c5ccccc5NC4=O)ncnn3c2)C	3145
+Brc1ccc(cn1)C(=O)Nc2ncc(C(Nc3ncc(cc3)Br)=O)cc2	3146
+c1ccccc1Nc2c(C(Nc3ccccc3Cl)=O)cnc(c2)NC(NCC)=O	3147
+FC(F)(F)c1cc(ccc1-c2c(C)c(c[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)C)F	3148
+COc1cnc2ccc(F)c(c2n1)CC#N	3149
+c1cc2ccc(nc2c(c1F)CC#N)OC	3149
+O(C)c1c(CCl)cnc(C)c1Cl	3150
+C(O)c1ccc(Br)c2oc(nc12)C	3151
+O(c1ncc(CO)cc1[N+](=O)[O-])C	3152
+C(c1c2nc(oc2c(cc1)Br)C)=NO	3153
+O(c1ncc(cc1[N+](=O)[O-])C=O)C	3154
+O=Cc1c2nc(oc2c(cc1)Br)C	3155
+O(c1ncc(cc1[N+](=O)[O-])C=O)C	3156
+O=Cc1c2nc(oc2c(cc1)Br)C	3157
+c1cc(ccc1C(Nc2cnc(cc2)OCC(OC)=O)=O)F	3158
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CNc3cncc(c3)C)=O	3159
+O=S(=O)(Nc1c2c(cc(c1)N3CCOCC3)n(c(C)n2)Cc4c5c(ccc4)cccc5)C	3160
+C(C)OC(c1nc2n(cc(-c3[nH]nnc3)cc2)c1)=O	3161
+c1cc(ccc1Cc2oc(nn2)-c3c(c4C(=O)N(C)CCn4c3)OC)F	3162
+c1(c(nc2cc(OC)c(OC)cc2c1)Cl)C#N	3163
+c1c2c(ccc1OC)nc(Cl)c(C#N)c2	3164
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)OCC)n2	3165
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)OCC)n2	3166
+FC(F)(F)c1nn(c(c1)CO)-c2ccc(cc2)[N+]([O-])=O	3167
+Clc1cccc(CNc2cc(n(C)n2)C=O)c1	3168
+CC1(C)CC(CC(C)(C)N1C)Oc2ccc(C(Nc3ccc(cc3)NC(Nc4n(nc(c4)C(C)(C)C)C)=O)=O)nc2	3169
+c1c(Oc2cccc3sncc23)c(cc(c1)Nc4ncnc5ccn(C)c45)Cl	3170
+CC(C)(C)OC(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	3171
+C1CC(CCC1n2cc(nc2)C=O)C	3172
+C(C)C(CC)c1c2n3CCCCN(c3nc2c(Cl)cc1)c4c(cc(nc4)N(C)C)C	3173
+O(C)c1c(OC)ccc(-c2nn3c(-c4ccc(C#N)nc4)cnc3s2)c1	3174
+c1cc(ccc1CNC(C2(CC2)NC(c3onc(OC)c3)=O)=O)-n4c5c(c(Cl)c4-c6noc(n6)C)cccc5	3175
+c1cc(ccc1-c2c(c3cc(Br)c(cc3o2)NS(=O)(=O)C)C(OCC)=O)F	3176
+c1cc(ccc1-c2c(C(OCC)=O)c3cc(Br)c(N)cc3o2)F	3177
+C1CC1N(c2cccc(C#N)c2Cl)C(c3cc(N4C(=O)Nc5c(c(sc5)C(=O)N)C4=O)c(s3)Cl)=O	3178
+C1CC(CCN1C(=O)c2nc(-c3cc(Br)c(c(c3O)Br)O)cs2)Cc4ccccc4	3179
+CC(C)N1CCN(CC1)C(=O)c2nc(c(s2)-c3c4c(ccc3)cccc4)C	3179
+FC(F)(F)c1ccccc1CC(NC(c2scc(c2)-c3n(nc(Cl)c3CC)C)=O)CN4C(c5ccccc5C4=O)=O	3180
+FC(F)(F)c1cc(ccc1)CC(CN2C(=O)c3ccccc3C2=O)NC(=O)c4sc(c(c4)-c5ccnn5C)Cl	3181
+FC(F)(F)c1ccccc1CC(NC(c2scc(c2)-c3n(nc(Cl)c3CC)C)=O)CN4C(c5ccccc5C4=O)=O	3181
+c1cc(ccc1Oc2ccnc3c2sc(c3)C(=O)NCCCC(=O)OCC)NC(Nc4cc(ccc4F)C)=O	3181
+c1cc(ccc1F)CN2C(=O)N(CC2)c3sc(c(C)n3)C(OCC)=O	3182
+C(Nc1c2c(Br)csc2ccn1)c3ncccc3	3183
+O1CCOC12Cc3sc4ncnc(Nc5cc(c(F)cc5)Cl)c4c3CC2	3184
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/primary/validation.tsv b/releases/n1-n5-composites-inchi-v1/payload/splits/primary/validation.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..9ef1e4a8e2a58076cef6bb200b9a535c1d0a2ee0
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/primary/validation.tsv
@@ -0,0 +1,424 @@
+product_smiles	rule_id
+C1CC1N(C)Cc2c(ccc(C#Cc3ccc(cc3)CC(=O)OC)c2)C(=O)OC(C)C	8
+c1cc(ccc1Cl)C#Cc2ccc(c(C#N)n2)N	8
+C1(Cl)CCOc2cc(ccc12)F	22
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCO)C3=O	31
+FC(F)(F)c1ccc(cc1)CCC=O	42
+Clc1cnc(Oc2cccc(CBr)c2)cc1	94
+O=S(=O)(c1ccc(c(c1)Cl)CBr)C	96
+O=S(=O)(c1c(CO)ccc(Br)c1)C	109
+FC(F)(F)COc1ccc(cc1)N=C=S	157
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)C#N	168
+CC(C)(C)OC(N1Cc2c(cccc2C1)C#N)=O	178
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(OC(C)C)ccc13)C	209
+c1cc(ccc1)CN2CC3C(CC(C2)C3)=O	212
+C1CC(CCN1c2ccc([N+](=O)[O-])c(OC)c2)N3CC(CCC3)O	223
+C1C(CC1N)(c2ncccc2)C#N	228
+C1C(CC1N)(c2ncccc2)C#N	229
+c1(cc(F)c(cc1)F)C(N)C(C)O	238
+CC(C)(C)OC(=O)NC(CC(C)C)C(N1C(CC)CCC1C(N)=O)=O	240
+CC(C)(C)OC(N1C(C(N2C(C#N)CCC2)=O)C3CC1C(OCC(N)=O)C3)=O	240
+CC(C)(C)OC(NCc1c(c2c(ccc(OCCCCC(=O)N)c2)nc1CC(C)C)-c3ccc(cc3)C)=O	240
+C1C(CC1N=[N+]=[N-])(c2ncccc2)C#N	267
+FC(F)(F)C(C(C)(C)C(c1ccccc1)c2ccc3c(cnn3-c4ccc(cc4)F)c2)O	269
+C1CC(CCC1O)(C)O	270
+CC(C)(C)OC(NC(CCc1ccc(cc1)Br)C(C)O)=O	271
+C1CC(CCN1C)c2c3c(cc4c(N(CC4)C(C)=O)c3)[nH]c2	297
+CC(C)CCCC(CC(C)=O)C	323
+CC(C)(C)OC(N1CC(C1)N2CCN(CC2)C(CNc3c(OC)cc(Cl)c(I)c3)=O)=O	339
+CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)C(CN2C(c3c(cccc3)S2)=O)=O	340
+C1CN(CCC1Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2)C(C)=O	343
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(n(CC5CCCN5C(=O)CC#N)n3)ncnc4N)F	344
+C1CCN1C(=O)Cc2ccc(cc2)OCCC3C(C4CCN(CC4)c5onc(C(C)C)n5)C3	350
+C1COCCN1C(=O)C2N(C(CN(C2)S(=O)(=O)c3ccc4c([nH]cc4Cl)c3)=O)CC5CCN(CC5)C=6C=CC(=O)N(C)N=6	350
+C1COCCN1C(=O)CN2N=Nc3c(C(=O)N)ncn3C2=O	352
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)C(OCC)=O)=O)c4c(cccc4)Br	352
+CC(C)(C)OC(N1CCCCC1C(=O)NC(Cc2cnc(cc2)Br)C(=O)N)=O	362
+CC(C)(C)OC(C(C1C(CC)CCN1)N2CCCC2C(=O)NC(CCSC)C(=O)OC)=O	366
+CC(C)(C)OC(=O)NCC(N1CCC(CC1)(C(=O)NCc2c(cccn2)C)CO)=O	372
+c1cc(ccc1F)C2CC2NC(CCCC(NC(=O)c3ccc(cc3)F)C(=O)N4CCN(CC4)C)=O	372
+CC(C)(C)OC(NCCOCCOCCNC(=O)COc1c(OC)cc(C=CC(=O)OC)cc1)=O	380
+c1cc(ccc1F)-c2oc(C)c(CC(NCC3CN(C(c4cc(Cl)c(Cl)cc4)=O)CCO3)=O)n2	381
+n1c(n(Cc2c(F)cccc2Cl)c3C(N(C(=O)N(c13)C)C)=O)N4CCCC(C(NCCO)=O)C4	381
+c1cc(ccc1)C=2C=CN(CCC(C)(S(=O)(=O)C)C(NO)=O)C(=O)C=2C	386
+c1cc(ccc1)C=2C=CN(CCC(C)(S(=O)(=O)C)C(NO)=O)C(=O)C=2C	387
+c1cc(ccc1)C=2C=CN(C(=O)C=2C)CCC(C)(C(NOC3CCCCO3)=O)S(=O)(=O)C	389
+O(CC)C(=O)C(C(OCC)=O)CC(c1ccc(cc1)-c2ccc(cc2)NC(CCCC)=O)=O	404
+c1cc(ccc1NC(N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2)=O)NC(C)=O	404
+c1c(-n2ccnc2)cccc1NC(C)=O	407
+c1c(C)c(c(cc1-c2nc3ccc(cc3c(O)n2)NC(C)=O)C)O	407
+c1cc(ccc1)NC(=O)C2CCN(CC2)Cc3ccc(cc3)-c4nc5c(cc4-c6ccccc6)cnc7n5nc(C)c7	408
+CC(C)[Si](C(C)C)(C(C)C)OCC(c1ccccc1)C(Nc2cc3c(cncc3)cc2)=O	409
+Brc1cccc(Br)c1COC(C)=O	422
+C1CC(CCC1CCCCC)CBr	460
+C(OC)(=O)NC1(C(CC#N)C1)c2cc([N+]([O-])=O)ccc2	468
+c1cc(ccc1C2CCC(CC2)CCCCCOC)Cl	478
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)CCCO)cnc23	481
+C1CN(CCC1(CN2CCN(CC2)Cc3ccccc3)c4ccccc4)C	509
+C(CN1CCC2N3c4c(C2C1)cc(-c5c(c(Cl)ccc5)Cl)cc4CCC3)C	512
+C1CN(CCN1CCCCC23c4c(NC2=O)cccc4CCC3)C5c6c(cccc6)CCCC5	512
+c1cc(ccc1CC=2c3c(cccc3)C(N(N=2)CC4CCCN4CCN5C(c6c(C5=O)cccc6)=O)=O)Cl	512
+C1CCN(C1)CC2CCN(CC2)C(CC3C(=O)NC=CN3S(=O)(=O)c4cc(C)c(Cl)cc4C)=O	514
+CC(C)(C)n1nc(CCCN2CCN(CC2)c3ccc(cc3)Cl)cc1-c4ccc(cc4)Cl	514
+CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCC(CC2)Oc3c(cc(F)cc3)C#N	522
+C1CN(CCN1CCn2ccc3c4nc(-c5occc5)nn4c(nc23)N)C(Cc6ccc(cc6F)F)=O	524
+C1CN(CCO1)CC2Oc3c(ccc(S(=O)(=O)C)c3)CC2	524
+FC(F)(F)C(N(c1ccc(CCC(OCC)=O)c(F)c1)Cc2ccc3c(c2C)N(CCN4CCCCC4)CCC3)=O	524
+CC(C)(CNC(c1ccc(c(Cl)c1)Cl)=O)NCCC=C	548
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)CNC3CC3c4ccccc4	556
+CC(C)(C)OC(=O)N1C(CNCc2ccccc2Cl)(CCC1)C	559
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)CNC3CC3c4ccccc4	559
+O=S1(=O)c2c(C(c3ccccc3)NC(CC)(C1)CCCC)cc(c(CCCNCCS(=O)(=O)O)c2)OC	559
+C1c2ccccc2CC1NCCCC3N(CCCC3)Cc4ccccc4	567
+c1cc(ccc1CCNC)-n2c3c(c(C)cc(C)n3)nc2CC	567
+CC(OC1CC2C(C(CCC2(C)C1=C)C3(C)C(COC(=O)C)CC(OC(=O)C)CC3)CN=[N+]=[N-])=O	574
+c1cc(ccc1CCCCN=[N+]=[N-])OC	575
+CC(C)(C)OC(N1CCC(CC1)(CN)F)=O	595
+CC(C)(C)[Si](C)(C)OCCC(O)C1=CC(N(C=C1)C2=CC(C)(C)Oc3c2cc(C#N)cc3)=O	621
+CC(C)(COC)C1Cc2c(C3=CC(C(=CN13)C(OCC)=O)=O)cc(OC)c(OCCOCC)c2	633
+c1c2n(CC)cc(c2ccc1OCC)C#N	635
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)OCCC	635
+CC(C)(C)OC(=O)NCCOc1ccc2c(c1)C(C(N3CCCC3)CC2)Cc4cc(c(cc4)Cl)Cl	643
+c1cc(ccc1OCCCCc2cc(OC(=O)C)ccc2)CCN3C(OC(c4ccc5OC(C)(C)OCc5c4)C3)=O	645
+C1C(CCC(=C1)CCCCC)CO	652
+O=S(=O)(c1cccc(OC)c1)NCCCO	652
+CC(C)(C)OC(N1CC(C1)COS(=O)(=O)C)=O	659
+c1cc(ccc1)CC(O)C=CC2N(CCCCCl)C(CC2)=O	677
+c1cc(ccc1)CC(O)C=CC2N(CCCCCl)C(CC2)=O	678
+c1cc(ccc1)CC(=O)C=CC2CCC(N2CCCCCl)=O	679
+c1cc(ccc1C(=O)OC)CCC(CCC2(CC2)CC(OCC)=O)C=Cc3c(O)cccc3	681
+c1cc(ccc1C(=O)OC)CCC(CCC2(CC2)CC(OCC)=O)C=Cc3c(O)cccc3	683
+c1cc(ccc1C(=O)OC)CCC(C=O)CCC2(CC2)CC(OCC)=O	689
+CC(C)(C)OC(NC(CCCC)C=O)=O	691
+c1cc(ccc1)CC(C=O)NC(OCC)=O	691
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)C=O	692
+CC(C)(C)OC(NC(C=O)C(C)C)=O	692
+CC(C)(C)OC(NC(C=O)CC(C(C)C)Cc1cc2c(cccc2OCCOC)cc1)=O	693
+c1cc(ccc1-n2nc3CCN(CCc3c2)C4CCC4)NS(=O)(=O)C	711
+c1cc(ccc1OCC(=O)N2CCCC(C(OCC)=O)C2)-c3ccc(cc3)C#N	724
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)CC(=O)OCC)=O)c4c(cccc4)Br	725
+C1CN(CCC1COc2cc3ncnc(c3cc2OC)Nc4c5c(ncc4Cl)OCO5)C(CN(C)C)=O	727
+C1CC1(C#N)C(=O)N2CCC(C)C(N(c3c4c([nH]cc4)ncn3)C)C2	729
+C1CC(CCC1C(=O)N2CCC(CC2)N(C)C)Nc3nc(ccn3)-n4ccc5c4cccc5OCCCS(=O)(=O)C	730
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(C(N5CCC(OC)C5)=O)ccc4c(S(C)=O)c3	762
+CC(C)(C)OC(NC1C2C1CN(C2)C(c3ccc(cc3)NC(c4ccc(cc4)F)=O)=O)=O	763
+CC(C)(C)OC(NC1Cc2c(CC1)ccc(OCCCC(=O)N(C)C)c2)=O	771
+CC(C)(Oc1ccc2c(c(C(=O)OCc3ccccc3)c(C)[nH]2)c1)C(N(CC)CC)=O	771
+C(C)N(CC)CCC1(C=CCC=C1)c2ccccc2	794
+CN(C)CC1(CCCCC1)c2cc(c(Cl)cc2)Cl	795
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4ccc(cc34)-c5c(CN(CC)CC)ccc(F)c5)N	802
+c1cc(ccc1SCCCN2CCC(CC2)c3c4c(n(c3CC)-c5ccccc5)cc(F)cc4)F	815
+CC(C)(C)OC(=O)N1CCC(N(CCCCN(C2Cc3c(CC2)ccc(OC)c3)CCC)CC1)=O	819
+c1ccccc1COC(=O)NC(c2ccccc2)CN3CC(CC3)OCCOCCOCCOCCOCCOC	821
+C1CC(CCN1CCC2c3ccccc3OCC2)NC(C)=O	823
+C1CC(CCN1CCCCn2cnc3c2cccc3)N4c5c(cccc5)NC4=O	823
+C1CCN(C1)CCN(C)CCSC2CCC3(C)C(CCC4C5(CCC(c6ccoc6)C5(CCC34)C)O)C2	823
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCO)=O)O	826
+c1cc(ccc1C#N)NC(C(=O)OCC)c2c(F)c(OC3CCN(CC3)CCO)cc(OCC)c2	826
+C1CN(CCC1)CCCN2CCC(CC2)CCCN3C(=O)c4c(N=C3C)c(OC)ccc4	830
+O=S(=O)(c1ccc(cc1)NC(=O)CC2CCN(CC2)CCO)C	830
+CC(C)(C)OC(=O)N(Cc1cc(ccc1I)Br)CC	856
+FC(F)(F)c1ccc(cc1)CN2CCC3(CC2)CN(CC3)C(c4ccc(cc4)-c5oc6c(C(C)C)cc(C#N)cc6n5)=O	860
+O=S(=O)(N1C(C(OCC)=O)CN(CC1)Cc2ccc(cc2)Br)c3ccc(cc3)OCC#CC	860
+C1CN(CCC1CNc2nc3c(C(=O)OC)cccc3[nH]2)Cc4cc(Cl)cc(c4O)Cl	862
+c12c(CN(Cc3cccc4c3OCO4)C1)c(Nc5cc6c(nc5)cccc6)ncn2	862
+C1COCCN1c2c3c(cc(CN4CCC(CC4)C(=O)NC)s3)nc(Cl)n2	875
+CC(C)(C)OC(=O)N(C)Cc1cc([nH]c1)-c2ccccc2F	877
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1-c4nnc(o4)NC5CCN(CC5)S(=O)(=O)C	887
+C1CCCC1CC(C(NC2CCCN(S(=O)(=O)c3ccccn3)CC2O)=O)NC(=O)c4occc4	889
+O=C1c2cc(c(cc2N(C=C1C(O)=O)CC)N3CCNC(COCCCCCCCCCCCC)C3)F	898
+C1C(CN1c2nc(-c3cc(ncc3)Cl)cc4c2ccnc4)C(O)=O	904
+N1(c2cc(C)ccc2NC1=O)C(CCC)CC(OCC)=O	919
+c1(cc(CN2Cc3c(Cl)nccc3C2=O)cnc1-n4nccc4)C	921
+c1([N+]([O-])=O)ccc2C(=O)N(Cc2c1)C	924
+c12CN(C(=O)c1cccc2[N+]([O-])=O)CCOC	924
+c1cc(ccc1CC(=O)O)CC(=O)NCCCc2c(nc(N)nc2C)NCCCCC	950
+C1(COCC(C)N1CCNC(C2CCCCN2c3nc4c(cccc4)o3)=O)C	952
+CC(C)(CO)NC(=O)C(Oc1ccc2c(cc(Br)cn2)c1)SC	952
+C1CN(CCO1)CC(C)(C)NC(=O)Cn2nc(-c3cn(nn3)Cc4ccc(cc4)OC)cc2Cc5ccc(cc5)F	953
+CC1(C)OC(=O)Nc2c1cc(-c3n(c(cc3)C#N)CC(NCCc4ccc(OC)c(OCC)c4)=O)cc2	960
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C	962
+CC(C)(C)OC(NCC(=O)NC(C(=O)NC)Cc1ccccc1)=O	964
+COc1cc2c3c([nH]c2cc1)CC(C(=O)NC)C3	965
+C1CN(CCC1NC(=O)c2cc(-c3sccc3)on2)CCSc4nc5cc(ccc5nc4)OC	985
+FC(F)(F)c1n(C)c2cc(ccc2c1C(NC)=O)OC	996
+C1CN(CCC1CNc2[nH]c3cccc(C(=O)NC(C)C)c3n2)Cc4cc(Cl)cc(c4O)Cl	997
+O=C(NC1c2c(cccn2)C(N=[N+]=[N-])C(c3c(c(ccc3)F)F)CC1)c4cnc5c(c4)CC6(c7cccnc7NC6=O)C5	997
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(cc4C)C(NC)=O	1002
+c1c(ccc(Oc2cc(C(NC)=O)ccc2[N+]([O-])=O)c1F)F	1002
+CC(C)(C)OC(NC(c1c(c(c2c(n1)ccc(c2)F)C(NC(C)C)=O)-c3ccccc3)C)=O	1003
+CC(C)CC(Sc1ccc(cc1)Br)c2ccc(cc2)C(NCCC(=O)OC)=O	1003
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(NCCCCCCC(OC)=O)=O	1003
+C1CC2CCN1CCN2c3ncc([N+](=O)[O-])c(C(=O)NCC(C)(C)CO)c3	1010
+O=S(=O)(c1cccc2nsnc12)Nc3c(C(=O)NCC(c4cc(Cl)c(cc4)Cl)C)cc(Cl)cc3	1010
+O=C(n1ccc2cc(Oc3ncnc(N)c3)ccc12)NC	1011
+Fc1cc(cc(F)c1)OCCNC	1019
+c1(ccccc1OC)OC(CNCCCc2c3cc(ccc3[nH]c2)F)C	1019
+c1cc(ccc1Cl)CCNCC(O)C	1019
+c1ccccc1C(n2ccc3ccccc23)CCNC	1019
+c1cc(ccc1CCNCC2Cc3c(CC2)cccc3)OC	1022
+CC(C)(C)n1nc(cc1CC(C)C)CNCCN2CCN(CC2)c3c(C)cc(C)cc3	1024
+C1CC(CCN1CCSc2nc3cc(OC)ccc3nc2)NCc4cc5OCCOc5cc4	1027
+O=S(=O)(C)c1c(ccc(Br)c1)CNC	1033
+O=S(=O)(NCCC1CCN(CC1)c2c3sc(C(N)=O)cc3nc(C)n2)C	1043
+O=S(=O)(NCCOCCOc1ccc2c3c(c(nc2c1)N)nc(CCC)s3)C	1043
+CC(C)(C)OC(=O)N1C(CC(Nc2ccc(cc2[N+](=O)[O-])Br)C1)CO	1050
+O=C(c1c(ccc(C)c1)-c2cnn(C)c2)N3CCCC(C)C3CNc4ccc(cn4)C#N	1052
+CC(C)(C)OC(NCCNc1c2c(ncc1[N+](=O)[O-])cc(OCc3ccccc3)cc2)=O	1058
+c1cc(ccc1)-c2cc(NC(C)CCCN(CC)CC)c3c(cccc3)n2	1058
+c1ccccc1-c2c(C(NC)=O)c3c(nc2C(Nc4c(c(N)ncn4)C#N)C)cccn3	1067
+CC(C)(C)OC(=O)Nc1c2c(ncn1)n(-c3cccc(c3)NC)c(c2-c4ccc(cc4)Cl)Cl	1070
+C(C)OC(N1CCc2c(ccc3CCC(OC)c23)CC1)=O	1087
+CC(C)OC(Cc1c(cc(cc1)[N+](=O)[O-])[N+]([O-])=O)=O	1091
+CC(C)(C)OC(N1C(COC)CN(C(=O)c2cc(OC)c(c(c2)OC)OC)CC1)=O	1110
+c1(cc(cc(C)c1[N+](=O)[O-])COCC)C	1118
+CC(C)(C)OC(NC(C(=O)OC1CCCC1)CCOc2cccc(c2)[N+]([O-])=O)=O	1128
+c1cc(ccc1OCC(C#N)(CCCC)C)O	1129
+FC(F)(F)c1c(Br)c(ncn1)OCC	1138
+O=S(=O)(CCC)N1CCC(CC1)(c2ncccc2)C#N	1149
+O=S(=O)(CC)Nc1c(F)c(C(=O)c2c[nH]c3ncncc23)ccc1	1157
+CC(C)(C)OC(=O)NC(CSC)C	1170
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)-c2ccccc2[N+]([O-])=O	1178
+c1cc(ccc1C)S(=O)(=O)OCCCCCC2CCN(CC2)C(=O)OCc3ccccc3	1198
+c1cc(ccc1F)Oc2ccc(cc2)CCNc3ncc(c(O)n3)Cc4cnc(nc4)OC	1203
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCc3nnc(C)o3)C	1245
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)c2[nH]nnn2	1260
+C1CN(CCN1C)c2nc(SC3CCN(CC3)C(=O)C=C)nc(c2)Nc4ncc(C#N)s4	1288
+c1cc(ccc1Oc2c(cc(cn2)N3CCC4(C3)CN(C(=O)C=C)CC4)C(=O)N)Oc5cc(ccc5)F	1288
+C1CN(CCO1)CCCOc2c(NC(=O)C=C)cc3c(c2)ncnc3N(C(C)=O)c4ccc(F)c(c4)Cl	1293
+CN(C)C1CN(c2c(cc(Nc3nc(-c4c5ccccc5n(c4)C)ccn3)c(c2)OC)NC(C=C)=O)CC1	1293
+CC(C)(C)c1cc(O)c(cc1OC(C(C)(C)C)=O)CC=C	1300
+o1c2c(c(c1CC)C)c(O)c(cc2)CC=C	1300
+C1C2CC3CC1CC(C2)(C3)CCOCCOCCN=[N+]=[N-]	1322
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(N)ncnc4n(CC5N(CCC5)C(C(=CC6CC6)C#N)=O)n3)F	1331
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(N)ncnc4n(CC5N(CCC5)C(C(=CC6CC6)C#N)=O)n3)F	1332
+Brc1cc(cc(Br)c1)CC#N	1343
+C(Cc1cc2nccnc2cc1)#N	1347
+C1CC(CCC1C(OC)=O)C#N	1348
+c1cc(ccc1)COC(=O)N2CCCC(CN=[N+]=[N-])C2	1391
+c1cc(ccc1CCN=[N+]=[N-])CCOC2OCCCC2	1391
+Oc1c(cc(F)cc1)C2(C(N(CCCCC)c3ccccc23)=O)CO	1440
+c1ccccc1C2C=CCC(NC(=O)C(NC(=O)C(O)CC(C)C)CC(C)C)C(=O)N2CCOC	1451
+c1cc(ccc1CC(C(=O)NC(CC2=CCCC2)C(=O)C3(CO3)C)NC(=O)C(NC(=O)Cc4sc(N)nc4)C)OC	1452
+c1c(c([N+]([O-])=O)ccc1)CCN	1493
+c1cc(ccc1)COC(N2CCCC(CN)C2)=O	1495
+c1cc(ccc1CCOC2OCCCC2)CCN	1495
+c1cc(ccc1)COC(N2CCCC(CN)C2)=O	1496
+c1cc(ccc1CCOC2OCCCC2)CCN	1496
+S(CCOc1ccccc1NN)C	1528
+c1cc(ccc1-c2ncc(nc2)O)N	1530
+Clc1c(c(F)ccc1N)Cl	1533
+FC(F)(F)c1cnc(-c2c(c(O)c(cc2F)Cl)N)c(Cl)c1	1536
+c1ccccc1Nc2nn(cn2)-c3cc(N)ncc3	1538
+C1CC(CCC1O)Oc2cc3CCC(Oc3cc2)c4ccccc4	1581
+CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1CCC(=O)NCCOc2ccc(cc2)Cl	1592
+c1cc(ccc1N2C(c3c(c(ccc3)C)C2=O)=O)CC(C(OCC)=O)NC(=O)c4c(cc(cc4Cl)-c5[nH]nnn5)Cl	1606
+c1cc(ccc1-c2c3c(n(C)c(-c4ccccc4)c3C)ccc2)OCC(=O)OC	1609
+N#Cc1ccc2cc(cc(-c3c4ccccc4ccc3)c2n1)NC(=O)OCC	1623
+CC(C)(C)c1c(c(C=Cc2ccc(cc2CO)NS(=O)(=O)C)cc(c1)N3C(=O)NC(C=C3)=O)OC	1657
+CC(C)(NC(C(SC)Oc1ccc2c(cc(Br)cn2)c1)=O)C=NOCCCC	1672
+C1C(CC1)C(N2CC(Nc3c(cnc(-c4c[nH]c5ncc(cc45)Cl)n3)F)CCC2)=O	1693
+c1cnccc1-c2ccc(cc2)C(C(Nc3ncccc3)=O)CC4CCCC4	1781
+C1CC(CCO1)OC(c2cc(c(cc2)Cl)Cl)C(=O)Nc3sccn3	1783
+c1cc(ccc1C#Cc2ncccc2)C(C(=O)Nc3sccn3)CC4CCCC4	1783
+c1ccccc1COc2ccc(cc2)C(C(=O)Nc3sccn3)CC4CCCC4	1783
+C1CC1C(C(Nc2ccc(cc2)Cl)=O)Oc3c4c(cccc4)ccc3	1787
+FC(F)(F)c1cc(NC(=O)c2ccncc2)c(N3c4c(cccc4)CC3)cc1	1800
+c1(c(ccnc1Cl)NC(=O)c2c(Cl)cccc2F)F	1801
+C(c1ccc(Cl)c(c1)C(=O)O)C(=O)O	1815
+FC(F)(F)C(=O)N(Cc1ccnc2ccccc12)C3CC(Cc4ccccc4)N(CC3)C(=O)c5c(cccc5Cl)Cl	1824
+C1CCCN1CCc2cc(C=O)[nH]c2	1859
+c1cc(ccc1)-c2c(C=O)cc(cc2)Br	1867
+FC(F)(F)c1ccc(c([N+]([O-])=O)c1)S(=O)(=O)Nc2c3c(c(cc2)F)cccn3	1876
+O=S(=O)(C)NC(c1ccc(c(Cl)c1)OCc2cc(F)c(cc2)F)=O	1884
+FC(F)(F)c1ccc2c(c(cnc2c1)CCl)O	1894
+c1ccccc1CCCc2cn(nn2)-c3sc(C(NCc4cnccc4)=O)c(C)n3	1915
+CC(C)CN1C(N(CC1)c2nc(c(C(=O)NCc3ccn(C)n3)s2)C)=O	1916
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(cccc3F)F	1922
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(cccc3F)F	1923
+c1(cccc(F)c1Oc2ccc(cc2)I)F	1926
+FC(F)(F)c1ccc2S(=O)(=O)Nc3c4c(cccn4)c(cc3-c2c1)F	1937
+c1cc(CNc2nc(SC)ncc2C=O)cc(Cl)c1OC	1960
+c1cc(ccc1-c2cc(c(cc2)OC)C(C)=O)C#N	1993
+c1cc(ccc1OCCCN(C)C)C(Cl)=O	2017
+Clc1cc(cc(Cl)c1OCCCCCCCCCCCC)C(Cl)=O	2019
+c1(C(=O)Cl)cc2c(C(=O)c3c(O2)cccc3)cc1	2019
+C(Cl)(=O)c1ccc(C#N)cc1C	2023
+C1CN(CCC1)CCOC2CCN(CC2)C(c3c(ccc(c3)Cc4c5c(c(O)nn4)cccc5)F)=O	2026
+C1CCN(C1)C(=O)c2ccc3c(c2)Oc4c(cccc4)C3=O	2029
+C1CCN(C1)C(=O)c2ccc3c(c2)Oc4c(cccc4)C3=O	2030
+CC(C)(C)OC(NC1CN(CCC1)C(c2ccc(c(c2)[N+](=O)[O-])NC)=O)=O	2030
+CC(C)(C)OC(c1ccc(cc1[N+](=O)[O-])C(=O)N2CCCCC2)=O	2030
+c1cc(ccc1C(N(C)C)=O)CNC(N2C(C)CN(c3ccc(c(Cl)c3)C#N)C(C)C2)=O	2030
+CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(c3ccc(cc3)-c4oc5c(C(C)C)cc(C#N)cc5n4)=O)C2	2034
+c1cc(ccc1C(=O)N2c3ccccc3CCc4ccccc4C2)NC(c5c(cccc5)C)=O	2036
+C1CC(CCN1C(N)=N)CNC(=O)c2cc(OCCc3c(Cl)cc(Cl)cc3)c(OC)cc2	2047
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)O)ccn2)=O	2047
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3c(OC)cc(C(=O)NS(=O)(=O)c4ccccc4C)cc3)cn(C)c2cc1	2047
+c1cc(ccc1C(NCc2c(nc(C)cc2C)O)=O)C(C)OCC	2047
+c1cc(ccc1C(c2cc(OC)c(OC)cc2)=O)C(NCCOc3cc(ccc3)C#N)=O	2047
+c1nc(ncc1C)C2(CC2)NC(c3ccc(C)c(c3)-c4cc5c(c(-c6ccc(cc6)F)oc5cc4)C(=O)NC)=O	2047
+c1ccccc1CNC(c2cccc(c2)-c3ccc(cc3)C=C4SC(=O)NC4=O)=O	2048
+Clc1ccc(c(Cl)c1)CCNC(c2ccc3c(c2)ccn3-c4ccc(CC(OC)=O)cc4C#N)=O	2050
+C1C2CC3CC(CC1C3N(CC(COc4ccccc4C(NCc5ccc(cc5)C6(N=N6)C(F)(F)F)=O)O)C)C2	2051
+CC(C)Oc1ccc(C#C)cc1C(NC(CO)Cc2c[nH]c3ccccc23)=O	2051
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(c3ccc(cc3)C(=O)NCC(O)C(OC)=O)C(C)C	2051
+c1cc(ccc1)CCNC(=O)c2ccccc2NC(=O)c3ccc(OC)c(Cl)c3	2051
+c1cc(ccc1NC(CCc2cc3c(OCO3)cc2)=O)C(NN=C4c5c(ccc(c5)Br)NC4=O)=O	2055
+O=S(=O)(c1ccccc1C)NC(c2ccc(Cc3c4c(ccc(c4)C(OC)=O)n(C)c3)c(OC)c2)=O	2059
+c1cc(ccc1C(Nc2ccc(cc2)N3C4C(CC3)N(C)CC4)=O)OCCCC	2067
+c1cc(ccc1C(OCC)=O)NC(c2ccc3c(N(S(=O)(=O)c4c(OC)ccc(Cl)c4)CCO3)c2)=O	2072
+c1cc(ccc1NC(c2ccc3c(c2)C(C)(C)CCC3(C)C)=O)C(Nc4c(N)cccc4)=O	2072
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccccc3-c4sc(CC(OC)=O)cc4)=O)c2	2074
+c1cc(ccc1OC(=O)C)CBr	2095
+c1cc(cc(OCCC)c1OC)CBr	2100
+c1cc(ccc1CN2C(=O)N(N=C(OC)C2=O)c3c(CC#N)cccc3)Cl	2105
+c1ccccc1Sc2ccc(cc2C)CC#N	2105
+c1(c(c(c(OC)c(c1C)CC[N+]([O-])=O)C)C)OC	2117
+c1cc(CC[N+](=O)[O-])cc(C)c1OC	2117
+c1(c(c(c(OC)c(CCN)c1C)C)C)OC	2123
+c1cc(cc(C)c1OC)CCN	2123
+c1(c(c(c(OC)c(CCN)c1C)C)C)OC	2126
+c1cc(cc(C)c1OC)CCN	2126
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CCl	2138
+ClCc1c(F)ccc(I)c1C	2139
+C1CC(CCN1Cc2cc(OCC)c(c(OCC)c2)F)Nc3nc4c(ccc(OCC#N)c4)o3	2155
+c1cc(ccc1)C(OCCOc2cccc(CN3CC(Nc4c5ccncc5ccc4)CC3)c2)=O	2155
+C1CC(CCN1Cc2cc(OCC)c(c(OCC)c2)F)Nc3nc4c(ccc(OCC#N)c4)o3	2160
+C1CN(CCN1Cc2cc(ccc2OCc3ccccc3)C=O)c4ccccc4	2160
+C1COCCN1Cc2cc3c(cc2)n(c(CN(C(=O)c4c(ccc(F)c4)F)CCC)n3)CCC	2160
+c1cc(ccc1CN2CCC(CC2)c3nnc([nH]3)-c4cnc(cc4)OC)-c5c(cc6c(ccnc6O)n5)-c7ccccc7	2160
+C1CN(CCC1c2c3cc(cc(C(=O)N)c3[nH]c2)-c4cc(ccc4)CN(C)CCS(=O)(=O)C)S(=O)(=O)CC	2162
+CN(C)Cc1cc(Cc2c(NCCCCC)nc(N)nc2C)ccc1	2162
+c1cc(ccc1)CN(C)Cc2ccc([N+](=O)[O-])c(c2)OC	2162
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C	2169
+c1cc(ccc1C=2C=CC(N(N=2)Cc3cc(NC(OCC)=O)ccc3)=O)CNC(CNC(C)=O)=O	2169
+C1CC1NCc2ccc(cc2OC(CC=C)C)C	2175
+c1ccccc1CCNCc2c(OCCCN3CCOCC3)c(OC)ccc2	2179
+C(C)c1cc(cc(CC)c1-c2cc(COc3cc4OCC(CC(OC)=O)c4cc3)ccc2)OCCCS(=O)(=O)C	2200
+c1ccc(OCc2nc3c(cccc3)cc2)cc1COc4cc(ccc4)C#N	2209
+C(O)c1c(F)ccc(I)c1C	2216
+Cc1cc(cc(C)c1OC)CO	2216
+c1cc(ccc1)CN2c3cc(ccc3OCC2)Cc4c(C(C)C)ccc(Br)c4	2223
+O=Cc1c2c(cc(CCOC)c1)cccc2	2247
+c1(cc(cc(C)c1OC)C=O)C	2247
+c1(cc(c(C)cc1)Br)C=O	2248
+C1CN(CCN1c2ccc(C(Nc3c4c(n[nH]3)ccc(Cc5cc(F)cc(c5)F)c4)=O)c(NC6CCOCC6)c2)C	2284
+CC(=O)Nc1cccc(c1)-c2sc(nc2C(=O)OC)C	2286
+CN(C)CCOc1ccccc1NC(=S)N	2290
+CN(C)CCOc1ccccc1NC(=S)N	2291
+c1ccccc1C(NC(=S)Nc2ccccc2OCCN(C)C)=O	2292
+C1(C)CN(CC(C)N1)CC(=O)Nc2cccc(c2C)F	2297
+Clc1cc(cc(Cl)c1N2C=3C(=C(N2)C(C)C)C(=O)N=C(Cc4ccc(cc4)NC(=O)CN5CCNCC5)N=3)Cl	2297
+FC(F)(F)c1cc(C#N)ccc1NC(=O)C(C2CCCCC2)n3c(nc4cc(F)c(F)cc34)-c5ccc(cc5)Cl	2303
+C1C2CC3CC1CC(C2)(C3)C(Nc4ccc5nc(N)sc5c4)=O	2305
+CC(C)(C)CC1NC(C(C12c3c(cc(cc3)Cl)NC2=O)c4cc(Cl)cc(c4)F)C(Nc5c(cc(cc5)C#N)OC)=O	2305
+C1CC(CCC1)C(=O)Nc2cc(ccc2)CCN3CCN(CC3)c4cccc5c4ccc(C)n5	2306
+c1ccccc1C(CC)C(Nc2ccc(c(C(=O)N)c2)I)=O	2306
+CC(C)(CO)c1n(c2cc(F)c(cc2c1)NC(=O)C3(CC3)c4cc5OC(F)(F)Oc5cc4)CC6OC(C)(C)OC6	2307
+c1cc(ccc1)C(c2ccccc2)C(Nc3ccc(cc3)S(=O)(=O)N(CC)CC)=O	2307
+c1cc(ccc1Oc2ccccc2)CC(Nc3cc4c(nn(c4)CCN(C)C)cc3)=O	2307
+FC(F)(F)c1nn(-c2ccccc2)c(c1)NC(=O)Nc3cccc(Sc4ncnc5cc(OC)c(cc45)OC)c3	2323
+CN(C)CCNc1ncc2C=C(C(=O)N(c2n1)OC)c3cc(NC(=O)Nc4cc(c(cc4)OC)Cl)ccc3Cl	2325
+CC(C)OC(Nc1c(C(OC)=O)ccc(Br)c1)=O	2332
+c1cc(ccc1-c2nn(CC)cc2-c3c4cc[nH]c4ncc3)NC(=O)OC	2332
+CC(C)(C)c1cc(c(OC)c(CO)c1)NC(=O)OCC(Cl)(Cl)Cl	2333
+C1C2(CC1)C(=N)NC(CS2(=O)=O)(c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F)C	2343
+CC(C)(C)c1nc(cc(c1)C(=O)Nc2ccc(c(-n3ccn4c3cc(-c5cccnc5)n4)c2)C)Cl	2349
+CN(C)c1nc(nc(N(C)C)c1CC(OC)=O)Cc2ccc(cc2)NC(c3ccc(cc3)C(F)(F)F)=O	2353
+c1c(Cl)c(c(cc1)Cl)C(Nc2ccc(cc2)CC(NC(=S)C3(CCCC3)CCCCS(=O)(=O)C)C(=O)OC)=O	2353
+c1(cccc(NC(CCC)=O)c1)NC(=O)c2cccc(Cl)c2	2354
+C1CN(CCN1C(C)=O)c2ccc(NS(=O)(=O)C)c(c2)C	2378
+CC(C)(C)C1C(=C(C=2N=S(C)(c3cc(ccc3N=2)NS(=O)(=O)C)=O)C(N1Cc4cc(Cl)c(cc4)F)=O)O	2378
+CC(C)(C)OC(=O)N(Cc1cc(c(-c2ccc(cc2)NS(=O)(=O)C)cc1)C)CCC(C)C	2378
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(CCC2)Cc3ccc(cc3)NS(=O)(=O)C	2378
+CC(C)(C)c1ccc(cc1)CN2c3c(N(Cc4ccc(cc4)NS(=O)(=O)C)C2=O)cccc3	2378
+O=S(=O)(C)Nc1ccc2c(c1)C3=NC=C(C(OCC)=O)C(=O)N3C=C2C	2378
+O=S(=O)(Nc1ccc2c(c(C(=O)C)c[nH]2)c1)c3ccccc3	2382
+O=S(=O)(Nc1n[nH]c2ccc(NS(=O)(=O)c3cc(F)ccc3)cc12)C	2382
+O=S(=O)(c1c(Cl)cccc1)Nc2cccc(c2)OCCc3ccc(cc3)C#N	2382
+c1cc(ccc1)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	2390
+c1cc(ccc1)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	2391
+O=S(=O)(Cc1cc(Nc2nc(c(cn2)F)-c3c(cc(c(F)c3)F)F)cc(c1)F)CCC	2400
+O=S(=O)(c1c(Nc2nc(Nc3c(OC(C)C)cc(c(Br)c3)C)ncc2C)cccc1)C(C)C	2400
+c1cc(ccc1Cl)C2c3nc(nc(c3CC2)N(C)C)Nc4cc(OC)c(cc4)-n5cc(nc5)Cl	2400
+C1CC(CCN1c2cc(OC)c(Nc3nc(c4c(n(C5OCCCC5)cn4)n3)NC6CCCCC6)cc2)N7CCCC(C7)O	2401
+c1cc(ccc1C2c3c(CC2)c(N4CC(F)(F)C4)nc(Nc5ccc(-n6cnc(Cl)n6)c(OC)c5)n3)F	2401
+c1cc(ccc1N2CCN(CC2)C)Nc3nc4N(Cc5ccccc5Br)C(=O)C=Cc4cn3	2403
+N(=C=S)c1c(c(ccc1Cl)OC)Cl	2411
+c1cc(ccc1CC(=O)OC)Oc2cc(N=C=S)ccc2	2411
+CC(C)(C)OC(=O)N1CCC(Oc2ccc(cc2)F)C1	2419
+c1cc(ccc1)-c2c(cc(cc2)-c3nc4cc(c(OC(C)=O)cc4c(O)n3)OC)F	2421
+CC(C)(C)OC(N1CC(c2cc(OCC3CC3)ccc2C1)O)=O	2435
+CC(C)(C)[Si](C)(C)OCCOc1c(c(-c2c(F)ccc(n2)C(=O)OC)c(cc1)F)F	2435
+c1ccccc1CCCOc2cc(ccc2OC)C3CNC(=O)C3	2435
+c1cc(ccc1OCCCN2CCCC2)-c3c4ccccc4nc5CCCCc35	2438
+O=S1(=O)CCCN1c2ccc(cc2)-c3c(c4c(cc(OCCN5CCOCC5)cc4)n3CC)C#N	2439
+c1cc(ccc1OCCCO)C(c2c[nH]c3c2cccc3)=O	2439
+CC(C)(C)C(=O)OCN1C=Nc2cc(c(cc2C1=O)OC)OCCCBr	2440
+C1CN(CCC1CCCOc2cc(C)c(c(C)c2)Br)c3nc(C(C)C)no3	2441
+CC(C)(C)OC(n1c2c(c(CN(C)CCN(C)C(=O)OC(C)(C)C)n1)c(ccc2)OCCCC3OC(C)(C)OC3)=O	2447
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc(C)c(cc2OC)OC(C)(C)C(=O)OC	2447
+c1(c(F)c(C(O)=O)c(cc1)Cl)OCc2c(F)cccc2	2461
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(OCc5cc(I)ccc5)cc4C	2461
+c1cc(ccc1COc2ccc3c(c2)c4CCC(c4[nH]3)CC(OCC)=O)-c5csnn5	2465
+FC(F)(F)S(=O)(=O)Oc1ccc2C=C(c3cc(Cl)ccc3)N(CC(=O)NC(C)C)C(c2c1)=O	2471
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)Sc2cc3C=C(C)C(C)(C)Oc3cc2	2474
+Cc1cc(cc(C)c1Oc2ccc(OC)c(Oc3ccccc3)c2)[N+]([O-])=O	2475
+c1(cc(Oc2cc3c(cc2)C(N(CO3)C)=O)cc(c1)OC4CCOC4)C(=O)Nc5ncc(C)nc5	2478
+C1N(CC1)C(=O)c2cnc(cc2)Oc3cc(C(Nc4nn(C)cc4)=O)cc(OC(C)COC)c3	2481
+COCCN(CCOC)c1c([N+](=O)[O-])cc(-c2onc(-c3ccccc3OC)n2)cc1	2518
+Clc1cccc(c1)-c2noc(C)c2CO	2561
+C1COCCN1CC(O)CN2CCc3c(C2=O)c(c([nH]3)C=C4c5cc(c(cc5NC4=O)NC(=O)CO)F)C	2564
+c1cc(ccc1-c2nc3N(CCCCCCC(=O)OCC)CCCc3nc2-c4ccc(cc4)C)C	2616
+c1cc(ccc1C#N)Nc2c3CCC(c3ncn2)OC	2628
+C1CC1Cc2nc(ncc2-c3nc(NC4COCCC4)ncc3)N	2634
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4ccnc(n4)NC5CC5)C	2634
+c1cc(ccc1F)C2CCc3c2nc(Nc4ccc(-n5nc(nc5)C)c(OC)c4)nc3NC	2636
+C1CCN(C1)c2c3cc(c(cc3nc(c2)C)OCc4ccccc4)Br	2657
+c1cc(ccc1-c2nc3C(C)(C)OCc3c(N4CC5CCC(C4)O5)n2)Br	2658
+FC(F)(F)c1ccc(cc1)C#Cc2ccc(cc2)OC3OCCCC3	2694
+c1cc(ccc1)COc2c(cc(cc2C)C#Cc3cc(cc(c3C=O)OC)OC)C	2694
+c1ccccc1COc2ccc(Cl)cc2Cn3nc(cc3C)C#N	2705
+CN(C)c1n(Cc2ccccc2F)nc(c1)C#N	2707
+c1cc(ccc1C)C2CCCN2c3nc(cc(Nc4sc(C#N)cn4)n3)C(NC(C)CO)=O	2731
+c1(cccnc1OCC(C)F)Nc2c3c(c(sc3ncn2)C(NCCO)=O)C	2734
+c1ccccc1-c2ccc(cc2)C(=O)Nc3ccsc3C(NCCN4CCCCC4)=O	2734
+c1cc2c(cc1C(=O)c3c(F)cc(OC)cc3)ccc(OC)c2	2750
+c1c(OC(C)=O)cc(cc1)CCCCO	2765
+CC(C)(C)N1c2ccc(CCCO)cc2C(=O)C(C(NCc3ccc(cc3)Cl)=O)=C1	2766
+O(COC)c1ccc2ccc(nc2c1C#N)CO	2779
+c1c2c(c([N+](=O)[O-])c(OCOC)c1)nc(CO)cc2	2779
+c1(C)cc(nc(Cl)n1)C=NO	2796
+c1(C)cc(nc(Cl)n1)C=O	2800
+C1(C(Nc2c(c(Cl)c(cc2N1)Cl)C#N)=O)=O	2803
+CCCCCCCCCCCCc1ccc(O)c(c1)N	2821
+C1C2(CC1)S(=O)(=O)CC(NC2=N)(c3cc(ccc3F)N)C	2823
+c1c(c(cc(F)c1Br)O)N	2823
+c1cc2c(CCC(NC(CC)=O)C2)c(N)c1OC	2826
+FC(F)(F)c1ccc(C)c(c1)N	2828
+c1cnccc1NC(c2cc(Nc3cc(C(NCCCN4CCCCC4)=O)ccc3)ccc2)=O	2844
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CC(OCCCCCC)C(=O)OC	2861
+FC(F)(F)c1ccc(cc1)-c2nc(c(CCOc3ccc(CCC(OCC)=O)c4ccccc34)cc2)C	2866
+FC(F)(F)c1[nH]c2c(Br)cccc2c1CCCOc3cc(C)c(c(C)c3)Cl	2869
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cc(cnc3)NC(=O)C(C)(C)C	2882
+C1CN(CCN1C)c2cc(nc(N)n2)N3Cc4cc(-c5cc6N(C(COc6cc5)=O)C)ccc4CC3C	2884
+c1cc(ccc1OC)-c2cccc(c2)OCC(O)CN3CCc4c(C3)cccc4	2884
+CN(C)S(=O)(=O)c1c(cc(cc1)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C)C(O)=O	2887
+C1CN(CCC1=O)c2cccc(-c3ccnc(Cl)n3)c2	2924
+c1(C=O)cc(c(C)cc1)-c2ccnc(Cl)n2	2924
+C(=O)(OC)C(C)c1c(F)cc(Br)c(c1)F	2931
+COc1cc(c(F)cc1)-c2ccc(cc2I)C(=O)OC	2936
+c1cc(C(C)C(O)=O)cc(N)c1N	2938
+C1CCCC(n2c(OC)nc3c(nc(OC(CC)C)nc23)N)O1	2974
+Nc1c(O)c(Cl)cc(F)c1N2N=NN(CCCF)C2=O	2999
+C1COCCN1c2nn3cc(NC(c4c(cnn4C)C(N5CC(C5)F)=O)=O)ccc3n2	3059
+CC(C)n1ncc2c(N3CC4CCC(C3)O4)nc(nc12)-c5ccc(cc5)[N+](=O)[O-]	3064
+CC(C)(O)CNC(c1ccc(Cn2c(c(c(n2)C)-c3cc(c(C#N)cc3)Cl)C)cn1)=O	3083
+c1cc(ccc1)COc2cc(OC3CCOC3)cc(c2)C(Nc4cnc(cn4)C)=O	3114
+C1CC1NC(c2cnn3ccc(nc23)N4C(c5cc(cc(OCCOC)c5)F)CCC4)=O	3117
+c1cc(ccc1)-c2c(COc3ccc(cn3)C(NC(CO)C)=O)c(on2)C	3143
+C1CN(CCN1C)c2ncc(cc2)C(=O)NCc3ccccc3	3145
+CC(C)(C)OC(=O)NCC(c1ncc(C(=O)NCc2ccccc2)cc1)O	3145
+FC(F)(F)c1c(cccc1)-c2n(C)cc(C(Nc3ccc(cc3)S(=O)(=O)C)=O)c2C	3148
+O=S(=O)(Nc1cn(c(C#N)c1)C)C	3160
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/assets/single_step.manifest.json b/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/assets/single_step.manifest.json
new file mode 100644
index 0000000000000000000000000000000000000000..e78a9c54ec3a020baa68df4b26870a3b54724595
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/assets/single_step.manifest.json
@@ -0,0 +1,11 @@
+{
+  "chython_version": "1.108",
+  "input_sha256": "e8ffb9ba9837a6e19f269fefe6bb1b5c2c4b3b097fed783ebd505897572d1cbd",
+  "policy_compatibility": "requires the exact ordered rule vocabulary used for training",
+  "preserve_stereo": false,
+  "rule_count": 11209,
+  "rules_sha256": "479d34a98d8e670f889f6ee29405a802d432a97bd1a4280d0b9bdd98642d3ac5",
+  "schema": "synplan-rules/2",
+  "source_stereo_file": "single_step.stereo.jsonl",
+  "stereo_schema": 1
+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/assets/single_step.tsv b/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/assets/single_step.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..069f20beb710c7dd9cab297bef1f3fbc2342e092
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/assets/single_step.tsv
@@ -0,0 +1,11210 @@
+rule_smarts	popularity	reaction_indices
+[N:1]-[c:2]>>[N+:1](-[c:2])(=[O:3])-[O-:4]	1734	1505,1519,1530,1715,1724,1788,1876,1894,2207,2212,2514,2544,2568,2839,2840,2848,2905,2953,3021,3055,3073,3241,3297,3411,3440,3535,3862,3871,3875,4120,4124,4211,4550,4565,4660,4661,4720,4929,5052,5377,5447,5459,5644,5741,5743,5975,6058,6124,6146,6166,6211,6254,6258,6273,6343,6380,6387,6512,6565,6567,6568,6590,6642,6643,6668,6709,6748,6889,6919,7003,7067,7112,7121,7427,7464,7530,7552,7692,7750,7845,7847,7860,7872,8029,8055,8808,8884,8897,8933,9013,9022,9078,9080,9134,9218,9258,9363,9440,9462,9533,9668,9859,9876,9927,9933,9938,10047,10049,10062,10082,10191,10256,10260,10389,10424,10468,10483,10495,10679,10871,10901,10937,10964,11108,11119,11132,11167,11191,11192,11204,11211,11224,11322,11324,11344,11354,11363,11364,11368,11589,11731,11830,11846,11869,11977,12113,12159,12250,12257,12273,12319,12331,12493,12531,12550,12561,12627,12643,12645,12791,12797,12808,12812,12822,12833,12846,12853,12913,12928,12953,12960,12964,12967,13142,13145,13191,13270,13273,13280,13321,13420,13471,13483,13527,13551,13577,13634,13636,13835,13857,13939,13941,13953,13975,14017,14019,14035,14047,14067,14081,14087,14095,14097,14103,14116,14124,14132,14134,14139,14141,14146,14168,14186,14189,14194,14195,14197,14200,14213,14214,14229,14234,14236,14237,14240,14243,14245,14246,14250,14253,14254,14270,14282,14283,14292,14320,14322,14332,14343,14378,14386,14389,14393,14401,14438,14442,14443,14447,14454,14472,14510,14523,14524,14537,14538,15146,15243,15263,15425,15426,15429,15434,15489,15505,15523,15782,15797,15818,15827,15894,15900,15922,15925,15926,15929,15944,16043,16101,16124,16180,16249,16251,16445,16475,16501,17158,17208,17251,17274,17387,17463,17590,17630,17640,17713,17825,17839,17867,17893,17897,18196,18198,18290,18310,18353,18369,18423,18429,18443,18444,18451,18499,18501,18504,18511,18513,18514,18602,18786,18848,18859,18907,19139,19330,19387,19514,19531,19546,19567,19584,19756,19810,19815,19834,19868,19936,20080,20082,20306,20366,20511,20514,20543,20544,20614,20633,20646,20665,20669,20680,20681,20713,20714,20726,20728,20739,20757,20760,20799,20803,20804,20805,20806,20860,21456,21469,21474,21475,21477,21480,21485,21552,21736,21836,21887,21888,21894,21900,21905,21915,21923,21929,22243,22399,22691,22693,22700,22701,22702,22918,22959,22960,22961,22966,23076,23131,23173,23176,23695,23714,23798,23870,23918,23920,23944,23947,23950,24000,24062,24063,24074,24081,24082,24087,24100,24132,24134,24136,24147,24154,24155,24157,24166,24183,24262,24343,24349,24359,24457,24783,24836,24982,25033,25044,25050,25053,25060,25091,25106,25124,25125,25139,25193,25216,25217,25222,25268,25313,25325,25334,25340,25353,25355,25356,25362,25416,25419,25420,25422,25438,25439,25440,25458,25517,25534,25577,25604,25609,25617,25638,25696,25739,25740,25741,25753,25786,25937,26119,26144,26145,26148,26152,26188,26196,26386,26424,26432,26522,26543,26585,26664,26691,26714,26749,26750,26754,26762,26805,26865,26890,26989,27028,27058,27059,27068,27106,27114,27115,27117,27122,27123,27135,27226,27234,27272,27349,27365,27399,27403,27404,27459,27468,27546,27610,27643,27685,27710,27734,27819,27833,27875,27895,27946,27958,27986,28576,28582,28590,28628,28629,28644,28710,28718,28730,28731,28753,28760,28788,28853,28871,28874,28878,28893,28958,28993,29005,29010,29023,29364,29365,29386,29414,29427,29435,29440,29448,29472,29481,29482,29511,29514,29519,29525,29527,29540,29794,30875,30931,31234,31242,31331,31916,31947,31968,31969,32029,32247,32250,32262,32266,32297,32339,32341,32342,32344,32346,32347,32349,32370,32372,32375,32394,32395,32401,32402,32416,32418,32422,32431,32449,32456,32476,32508,32514,32528,32544,33316,33323,33330,33360,33361,33362,33367,33373,33374,33375,33376,33377,33380,33384,33439,33484,33485,33488,33498,33891,33938,33940,33960,34002,34088,34105,34233,34242,34331,34345,34550,34554,34556,34566,34600,34635,34707,34713,34748,35030,35896,35897,35898,35904,35905,35906,35910,35919,35960,35961,35970,35984,35994,35998,36017,36044,36062,36063,36102,36104,36112,36149,36182,36183,36206,36208,36210,36334,36361,36378,36443,36773,36817,37140,37212,37213,37256,37280,37424,37472,37499,37502,37504,37510,37516,37528,37548,37552,37555,37559,37587,37626,37628,37640,37673,37694,37707,37710,37722,37727,37731,37732,37755,37760,37762,37781,37786,37828,37841,37856,37930,37934,37941,37950,37955,37957,38011,38023,38041,38057,38124,38153,38299,38319,38331,38373,38414,38415,38489,38491,38519,38526,38527,38531,38551,38552,38585,38587,38597,38613,38671,38693,38696,38717,38723,38730,38732,38763,38772,38775,38826,38831,38854,38855,38856,38857,38858,38859,38861,38862,38863,38865,38882,38886,38887,38897,38906,38908,38932,38948,38958,38962,38963,38998,39013,39015,39056,39059,39074,39090,39173,39182,39186,39206,39207,39208,39227,39234,39257,39343,39528,39554,39555,39556,39603,39625,39640,39641,39663,39674,39676,39691,39772,39802,39825,39856,39861,40007,40008,40013,40048,40049,40051,40052,40065,40076,40090,40096,40098,40111,40134,40209,40225,40269,40275,40291,40391,40393,41335,41358,41446,41449,41457,41475,41477,41480,41481,41576,41593,41621,41642,41650,41658,41674,41981,42083,42396,42462,42474,42502,42511,42556,42589,42605,42624,42666,42673,42699,42706,42728,42836,43017,43018,43048,43064,43073,43080,43139,43239,43262,43346,43353,43368,43370,43391,43415,43504,43517,43518,43548,43556,43570,43798,43853,43877,43914,44103,44233,44249,44277,44280,44300,44301,44465,44472,44513,44848,44870,45145,45150,45172,45173,45174,45246,45350,45354,45356,45367,45378,45399,45401,45403,45404,45405,45411,45537,45586,45609,45613,45614,45627,45628,45650,45651,45662,45689,45694,45705,45718,45720,45723,45726,45913,45914,45920,45922,45923,45930,45934,45936,45946,45947,45963,45964,45980,46001,46005,46006,46014,46028,46029,46050,46062,46071,46086,46115,46120,46135,46162,46163,46169,46178,46268,46271,46278,46280,46313,46316,46317,46318,46319,46495,46877,46933,47326,47334,47345,47354,47374,47378,47380,47387,47772,47773,47774,47794,47795,47801,47802,47806,47809,47811,47814,47815,47820,47826,47827,47828,47829,47830,48077,48083,48090,48091,48094,48095,48096,48097,48098,48159,48165,48192,48201,48205,48208,48213,48214,48215,48218,48234,48283,48295,48324,48347,48356,48357,48373,48375,48399,48555,48560,48568,48575,48576,48627,48639,48664,48689,48737,48738,48739,48743,48747,48752,48761,48765,48804,48805,48813,48814,48821,48823,48824,48825,48826,48844,48845,48851,48858,48860,48861,48862,48870,48871,48873,48875,48881,48893,48894,48898,48899,48900,48902,48906,48915,48916,48932,48939,48941,48950,48969,48979,48997,49000,49061,49080,49081,49082,49084,49085,49086,49087,49099,49115,49118,49119,49120,49127,49154,49156,49172,49174,49193,49225,49235,49241,49291,49292,49301,49310,49324,49326,49332,49357,49370,49390,49399,49402,49425,49426,49436,49437,49442,49443,49444,49451,49452,49472,49476,49479,49492,49506,49508,49516,49527,49540,49549,49563,49568,49569,49570,49588,49629,49643,49645,49646,49678,49799,49803,49827,49830,49834,49838,49842,49876,49880,49913,49934,49942,49953,49972,49990,49991,49993,49995,50011,50029,50032,50033,50034,50049,50121,50146,50148,50151,50178,50179,50180,50210,50215,50224,50234,50293,50295,50312,50327,50338,50357,50359,50361,50366,50374,50391,50394,50414,50436,50437,50449,50451,50475,50485,50500,50537,50539,50540,50542,50621,50649,50650,50688,50692,50694,50695,50708,50712,50721,50768,50770,50778,50781,50787,50788,50789,50790,50797,50800,50801,50802,50804,50805,50808,50809,50814,50819,50838,50839,50847,50854,50861,50862,50866,50881,50893,50894,50899,50912,50913,50917,50919,50944,50946,50953,50960,51031,51033,51035,51078,51082,51087,51090,51156,51164,51189,51192,51195,51196,51197,51198,51199,51228,51232,51256,51291,51318,51323,51411,51485,51503,51545,51546,51548,51576,51590,51599,51603,51604,51612,51614,51615,51618,51619,51623,51651,51656,51657,51665,51669,51681,51716,51718,51719,51732,51741,51761,51777,51791,51798,51799,51800,51816,51860,51877,51980,52019,52030,52031,52066,52077,52107,52159,52168,52195,52208,52209,52296,52337,52406,52425,52452,52460,52465,52466,52564,52664,52665,52667,52674,52716,52782,52854,52897,52905,52906,52919,52942,52977,53049,53082,53125,53139,53154,53156,53159,53161,53165,53179,53187,53189,53190,53209,53219,53228,53250,53252,53254,53255,53256,53275,53279,53292,53296,53315,53334,53335,53337,53344,53347,53349,53350,53354,53399,53480,53486,53495,53545,53613,53615,53616,53619,53647,53659,53667,53668,53673,53677,53679,53699,53701,53712,53755,53769,53781,53871,53880,53883,53969,53972,53973,53974,54014,54017,54040,54048,54049,54054,54058,54059,54101,54170,54177,54178,54191,54192,54270,54273,54278,54294,54324,54360,54362,54388,54420,54427,54434,54443,54465,54469,54470,54482,54485,54495,54504,54599,54602,54622,54623,54645,54672,54673,54676,54682,54711,54785,54800,54817,54837,54886,54906,54910,54911,54912,54916,54941,54959,54961,54968,54980,54981,54983,54990,55000,55005,55020,55026,55068,55075,55081,55187,55198,55203,55206,55208,55212,55235,55255,55265,55284,55308,55323,55325,55326,55328,55332,55334,55340,55348,55362,55368,55371,55376,55377,55378,55379,55399,55445,55465,55467,55487,55492,55493,55494,55495,55496,55497,55498,55499,55500,55501,55502,55503,55505,55511,55512,55513,55514,55515,55516,55517,55518,55519,55520,55521,55528,55530,55531,55532,55533,55534,55536,55538,55540,55541,55542,55543,55544,55545,55547,55548,55549,55558,55559,55560,55563,55565,55566,55567,55569,55571,55572,55573,55576,55577,55578,55579,55581,55582,55583,55584,55585,55588,55589,55590,55591,55592,55616,55619,55623,55625,55626,55636,55648,55678,55701,55716,55717,55719,55720,55721,55722,55725,55730,55738,55739,55755,55779,55780,55789,55807,55841,55858,55867,55885,55892,55902,55909,55922,55930,55937,55975,55999,56000,56001,56003,56004,56014,56021,56031,56034,56071,56107,56137,56140,56211,56229,56262,56288,56350,56362,56465,56469,56501,56531,56565,56567,56606,56637,56642,56644,56649,56656,56660,56664,56665,56668,56673,56691,56704,56708,56712,56719,56721,56732,56745,56747,56777,56791,56829,56862,56880,56923,56928,56930,56931,56940,56967,56973,56974,56975,56979,56982,56983,56986,56996,57002,57006,57007,57008,57023,57034,57041,57045,57055,57056,57059,57068,57079,57105,57157,57162,57163,57166,57174,57176,57204,57214,57215,57227,57238,57242,57250,57253,57257,57263,57266,57267,57269,57270,57282,57286,57298,57300,57319,57330,57375,57376,57377,57378,57379
+[C:1](-[O:2])=[O:3]>>[C:1](-[O:2]-[C:4])=[O:3]	819	1040,1418,1430,1632,1862,1863,1892,1896,1898,1915,2771,2875,2898,2935,3048,3078,3656,3828,3883,4152,4663,4917,5658,5716,6089,6216,6241,6266,6334,6340,6425,6615,6760,7051,7107,7114,7159,7164,7559,7698,7702,7883,7935,7945,8858,8942,9043,9044,9047,9405,10072,10307,10313,10475,10521,10661,10861,10939,10942,10973,10975,11078,11158,11372,11375,11398,11592,11610,11801,11815,12097,12232,12243,12564,12648,12813,12955,12963,13002,13043,13048,13328,13457,13459,13472,13484,13526,13529,13533,13631,13649,14041,14050,14058,14088,14094,14117,14157,14211,14226,14266,14296,14314,14348,14461,14486,14532,14602,15474,15493,15919,15980,16115,16118,16119,16436,16491,16503,16812,17278,17285,17317,17320,17668,17734,17835,18020,18225,18235,18373,18520,18537,19114,19211,19214,19225,19307,19340,19492,19507,19520,19772,20023,20239,20403,20613,20798,20807,21386,21402,21505,21512,21674,21750,21780,21820,21873,21898,21916,21917,21925,21935,21953,22065,22715,22858,22929,22962,22969,22986,23073,23080,23152,23191,23476,23582,23676,23875,23964,23966,24027,24229,24287,24300,24301,24395,24410,24451,24752,25146,25351,25387,25415,25447,25451,25462,25518,25523,25552,25557,25558,25576,25671,25691,25798,26082,26139,26140,26420,26655,26792,26863,26996,27000,27041,27080,27110,27325,27340,27342,27381,27386,27408,27446,27575,27613,27657,27712,27714,27730,27783,27784,27786,27850,28436,28585,28709,28724,28813,28857,28869,29460,29738,30250,31319,31327,31347,31898,32350,32414,32478,32512,33284,33286,33297,33392,33425,33601,33969,33990,34284,34285,34307,34308,34309,34321,34398,34422,34423,34452,34484,34485,34527,34543,34590,34593,34594,34674,34703,34762,36064,36237,36249,36261,36405,36418,36419,36435,36834,36872,36958,37174,37656,37700,37708,37712,37804,37873,37884,37939,37944,37965,37992,38027,38097,38155,38362,38364,38370,38399,38405,38409,38418,38507,38583,38590,38691,38694,38725,38726,38727,38745,38824,38999,39026,39058,39065,39080,39109,39140,39202,39226,39228,39244,39246,39282,39305,39306,39420,39479,39483,39597,39598,39644,39651,39724,39745,39801,39917,39918,39946,40001,40003,40087,40105,40121,40123,40164,40172,40176,40197,40322,40361,40362,40604,41323,41356,41453,41459,41564,41572,41631,41644,42030,42378,42390,42431,42454,42469,42490,42639,42665,42806,43058,43059,43219,43221,43233,43356,43516,43528,44110,44212,44302,44310,44316,44828,45167,45271,45276,45302,45400,45533,45534,45543,45554,45555,45582,45584,45612,45616,45676,45677,45688,45690,45700,45712,45890,45891,45910,45925,45954,46007,46019,46054,46055,46067,46075,46076,46127,46128,46130,46173,46199,46204,46205,46218,46251,46258,47375,47416,47420,47863,47866,48123,48124,48198,48202,48267,48269,48294,48298,48299,48328,48330,48343,48366,48370,48382,48536,48550,48587,48654,48659,48687,48728,48730,48740,48771,48791,48792,48799,48857,48994,49006,49019,49067,49069,49076,49095,49102,49111,49122,49123,49136,49158,49181,49186,49226,49230,49231,49233,49245,49272,49295,49377,49411,49457,49469,49474,49487,49489,49491,49517,49537,49544,49545,49547,49557,49567,49572,49577,49580,49582,49585,49700,49752,49754,49763,49788,49800,49901,50046,50050,50113,50162,50190,50260,50263,50274,50285,50309,50318,50325,50383,50384,50388,50453,50454,50497,50502,50503,50504,50505,50507,50514,50517,50523,50528,50561,50579,50594,50624,50636,50637,50718,50727,50775,50822,50823,50824,50841,50846,50850,50869,50914,50968,51012,51042,51064,51066,51067,51068,51071,51114,51115,51134,51175,51185,51216,51246,51247,51248,51263,51309,51313,51343,51388,51400,51433,51451,51463,51474,51494,51495,51611,51649,51675,51704,51714,51722,51737,51746,51747,51758,51759,51764,51767,51793,51795,51804,51833,51858,51869,51883,52065,52247,52298,52538,52577,52592,52639,52696,52698,52711,52714,52917,52949,52960,52970,53028,53092,53108,53120,53127,53131,53136,53148,53175,53183,53214,53227,53259,53278,53281,53285,53300,53309,53316,53323,53338,53341,53364,53392,53402,53431,53517,53548,53582,53621,53634,53635,53636,53645,53648,53704,53714,53767,53773,53808,53810,53811,53812,53813,53815,53823,53824,53826,53827,53829,53831,53843,53849,53882,53884,53901,54027,54038,54039,54102,54249,54274,54307,54320,54321,54325,54369,54370,54441,54477,54497,54513,54535,54545,54606,54624,54640,54641,54643,54650,54667,54670,54677,54681,54695,54765,54815,54836,54928,54955,54973,54976,54982,55008,55091,55191,55216,55224,55256,55264,55274,55288,55289,55290,55291,55330,55336,55338,55358,55359,55364,55365,55405,55411,55416,55439,55440,55442,55472,55535,55598,55601,55606,55665,55713,55723,55740,55769,55784,55791,55794,55838,55849,55857,55869,55890,55901,55904,55919,55962,55984,55987,56120,56148,56171,56178,56181,56284,56463,56464,56562,56624,56625,56659,56671,56737,56774,56825,56886,56898,56911,56984,56990,57044,57125,57131,57132,57147,57178,57180,57181,57183,57190,57196,57209,57211,57217,57225,57226,57230,57243,57265,57288,57309,57322,57348,57350,57356,57371
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]	735	7309,7937,17455,17569,17894,18395,18401,18404,18405,18406,18409,18411,18417,18424,18426,18439,18440,18441,18447,18448,18450,18453,18456,18482,18485,18486,18490,18491,18522,18524,18559,18560,18570,18573,18577,18595,18596,18597,18598,18599,18601,18603,18604,18607,18609,18618,18619,18620,18621,18625,18630,18631,18632,18633,18636,18637,18639,18641,18642,18644,18654,18657,18658,18679,18682,18692,18696,18704,18708,18710,18720,18721,18724,18727,18728,18729,18730,18732,18733,18738,18750,18751,18755,18756,18757,18769,18779,18781,18789,18802,18806,18807,18810,18816,18822,18830,18831,18836,18843,18844,18849,18852,18862,18865,18868,18870,18871,18873,18878,18885,18889,18896,18898,18899,18900,18902,18903,18938,18948,18949,18950,18957,18959,18970,18971,18972,18975,18983,18984,18996,18997,19005,19008,19010,19014,19019,19023,19026,19028,19036,19037,19038,19048,19049,19054,19056,19057,19058,19070,19072,19073,19074,19075,19078,19079,19080,19084,19085,19086,19095,19096,19097,19098,19102,19105,19108,19109,19110,19112,19113,19115,19118,19120,19121,19122,19123,19126,19127,19131,19132,19134,19138,19146,19148,19149,19150,19153,19156,19193,19199,19200,19203,19207,19209,19210,19215,19216,19217,19219,19221,19226,19227,19229,19230,19231,19232,19233,19238,19239,19240,19241,19243,19244,19247,19250,19252,19253,19254,19255,19257,19260,19262,19263,19265,19267,19268,19270,19271,19273,19276,19279,19282,19283,19286,19290,19291,19292,19295,19296,19298,19299,19300,19301,19305,19308,19311,19314,19316,19318,19321,19325,19327,19328,19332,19334,19337,19338,19341,19342,19346,19348,19357,19358,19360,19361,19366,19370,19374,19379,19382,19383,19385,19392,19394,19395,19396,19399,19400,19403,19404,19409,19420,19425,19430,19433,19435,19437,19439,19449,19450,19456,19457,19462,19473,19480,19483,19484,19485,19486,19489,19490,19491,19493,19494,19495,19496,19497,19498,19499,19501,19502,19505,19506,19513,19516,19517,19521,19522,19525,19528,19530,19533,19536,19540,19543,19544,19550,19551,19556,19557,19560,19562,19564,19569,19570,19571,19574,19578,19580,19581,19583,19590,19591,19592,19594,19595,19596,19602,19603,19607,19608,19609,19612,19744,19747,19748,19749,19754,19755,19757,19759,19769,19773,19776,19778,19782,19784,19789,19795,19796,19797,19804,19808,21394,21805,21807,21813,21815,21819,21826,21828,21850,21855,21863,21877,21882,21897,21899,21901,21903,21904,21908,21910,21919,21921,21958,21959,21985,22014,22016,22024,22029,22030,22055,22060,22062,22063,22064,22068,22069,22070,22072,22074,22087,22090,22093,22095,22108,22109,22115,22124,22127,22131,22148,22151,22152,22155,22157,22165,22176,22181,22185,22190,22201,22203,22207,22208,22209,22210,22212,22214,22216,22248,22257,22259,22264,22269,22270,22272,22284,22285,22295,22301,22304,22326,22341,22346,22347,22348,22350,22351,22352,22361,22367,22369,22372,22376,22378,22380,22383,22388,22390,22391,22395,22396,22397,22433,22440,22449,22450,22452,22458,22462,22475,22479,22482,22488,22490,22492,22494,22496,22543,22546,22552,22554,22555,22556,22560,22578,22585,22594,22596,22597,22598,22610,22621,22622,22624,22625,22627,22628,22629,22630,22634,22671,22673,22674,22675,22676,22678,22679,22681,22687,22696,22698,22708,22709,22713,22714,22716,22718,22720,22721,22722,22723,22725,22726,22727,22729,22731,22734,22737,22740,22741,22742,22744,22746,22747,22748,22749,22750,22752,22753,22759,22763,22765,22766,22769,22775,22779,22790,22791,22793,22797,22799,22802,22804,22809,22811,22812,22816,22817,22819,22824,22825,22829,22831,22832,22834,22837,22838,22839,22840,22841,22865,22866,22867,22870,22871,22872,22874,22876,22877,22880,22881,22883,22884,22885,22888,22890,22893,22895,22896,22898,22899,22900,22901,22912,22913,22914,22917,22921,22923,22924,22925,22926,22933,22934,22935,22936,22944,22951,22970,22971,22972,22977,22979,22981,22987,22991,22993,22995,22996,22999,23000,23005,23006,23007,23010,23011,23013,23014,23018,23019,23020,23021,23022,23026,23027,23028,23031,23032,23034,23039,23040,23042,23048,23055,23056,23057,23058,23063,23065,23077,23078,23083,23087,23095,23100,23101,23102,23103,23104,23105,23106,23108,23111,23115,23116,23117,23119,23120,23121,23125,23127,23130,23144,23147,23148,23151,23155,23158,23161,24835,24897,25763,37209,37257,37384,37500,37535,37541,37832,37842,37953,38128,38150,38509,38609,38708,38942,39004,39032,39464,39545,39566,39581,39742,39750,39795,39829,39847,39865,39869,39884,39973,39984,52137,52304,53059,53861,54534,56241,56242,56301
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:6]-[C:5]	640	2536,2545,2554,2808,2817,2856,2867,3554,3864,4266,4539,4646,4722,4729,4738,4911,5422,5427,5431,5435,5466,5472,5479,5548,5556,5572,5596,5615,5616,5617,5630,5632,5635,5637,5639,5653,5918,6358,6448,6449,6592,6712,7046,7054,7317,7352,7457,7551,7577,7578,7584,7673,7888,7932,8823,8837,8848,8872,8923,8927,8943,8945,8951,9005,9045,9057,9093,9125,9132,9228,9229,9230,9528,9532,9540,9544,9546,9557,9842,9852,9939,9990,10053,10054,10061,10070,10090,10093,10254,10294,10404,10409,10428,10429,10570,10685,10720,10869,10947,10953,11329,11382,11437,11536,11554,11729,11742,11744,11796,11847,11895,11898,12044,12326,12327,12328,12398,12399,12541,12568,12615,13163,13226,13387,13391,13392,13393,13407,13414,13443,13450,13928,13970,13994,14130,15274,15290,15492,15812,16193,16323,16400,17255,17437,17594,17598,17600,17604,17666,17678,17739,17795,18009,18014,18187,18301,18365,18484,18547,18593,18626,18674,18684,18976,19384,19839,19841,19851,19852,19950,20254,20386,20490,20584,20791,21510,21544,22073,22119,22198,22222,22294,22583,22584,22587,22703,22792,23351,23692,23817,23868,23976,23980,23990,24173,24245,24247,24254,25159,25372,25483,25528,25547,25588,25603,25606,25632,25771,25788,25872,25897,25917,26075,26107,26111,26217,26482,26526,26529,26592,26597,26598,26666,26667,26668,26669,26761,26765,26826,26855,26859,26999,27034,27240,27324,27357,27368,27372,27376,27378,27379,27436,27438,27443,27448,28569,28662,29150,29496,29717,30558,30563,30564,30580,30582,30590,30747,30763,30924,30955,31961,32277,32439,32521,33546,33878,34052,34054,34408,34450,34580,34638,35959,36103,36164,36264,36351,36377,36417,36471,36502,36840,37144,37161,37167,37386,37463,37512,37703,37765,37839,37912,37922,37924,38018,38046,38059,38060,38081,38082,38083,38141,38353,38520,38680,38729,38768,38837,38899,38912,38970,38984,39049,39073,39115,39124,39200,39248,39260,39266,39267,39269,39284,39286,39290,39291,39293,39335,39342,39347,39350,39391,39403,39412,39448,39468,39494,39495,39497,39501,39503,39504,39577,39704,39811,39815,39817,39899,39929,39960,40068,40082,40196,41411,41412,41414,41439,41623,41669,43047,43071,43074,43345,43362,43367,43372,43376,43378,43379,43578,44077,44219,44221,44241,44275,44279,44474,44841,44842,44850,44856,44858,45160,45165,45177,45265,45275,45278,45279,45300,45530,45531,45551,45667,45670,45679,45711,45717,45724,45997,46234,46287,46288,46299,46846,47847,48400,48489,48651,49104,49105,49146,49283,49294,49347,49359,49380,49391,49401,49440,49460,49509,49561,49627,49681,49738,49888,49899,49954,49967,50027,50101,50104,50174,50200,50306,50337,50367,50403,50405,50406,50408,50419,50446,50473,50478,50519,50520,50753,51089,51111,51167,51182,51251,51462,51540,51547,51638,51660,51661,51662,51721,51731,51784,51863,51867,51888,52063,52072,52099,52135,52139,52226,52231,52262,52297,52305,52446,52447,52532,52642,52725,52779,52876,52910,52951,52961,53094,53109,53115,53134,53137,53185,53193,53202,53205,53213,53287,53297,53298,53302,53357,53358,53476,53609,53624,53665,53682,53724,53744,53758,53853,53864,53865,54022,54028,54053,54065,54090,54174,54181,54202,54204,54206,54210,54223,54240,54243,54245,54305,54308,54431,54432,54506,54518,54529,54530,54541,54588,54591,54613,54621,54633,54660,54715,54721,54742,54743,54756,54775,54776,54808,54818,54819,54840,54894,54913,54919,54925,54963,54970,54975,55038,55078,55079,55105,55219,55220,55227,55228,55249,55250,55263,55266,55269,55282,55292,55298,55315,55318,55321,55370,55396,55412,55421,55433,55435,55436,55437,55446,55764,55799,55831,55833,55893,55900,55908,55910,55924,55969,56013,56061,56076,56105,56147,56159,56161,56170,56176,56177,56207,56220,56224,56225,56233,56252,56318,56339,56420,56467,56507,56578,56741,56852,56878,56908,56944,56950,56958,56964,56980,56981,57088,57096,57112,57154,57221,57292,57293,57345
+[O:1]=[C:2](-[C:3])-[O:4]>>[O:1]=[C:2](-[C:3])-[O:4]-[C:5]	549	1208,1468,1906,2515,2560,2561,2767,2783,2874,3536,3933,4093,4136,4198,4200,5114,5686,5693,5710,6199,6285,6895,6897,7106,7162,7174,7272,7326,7346,7448,7597,7601,7695,7897,7940,7951,8036,8887,8909,8940,8987,8994,9004,9009,9116,9217,9220,9221,9259,9282,9303,9305,9395,9510,9826,9942,10058,10149,10208,10423,10490,11071,11083,11306,11469,11480,11489,11661,11713,11715,11716,11717,11722,11728,11813,12051,12053,12059,12076,12093,12124,12127,12128,12229,12234,12276,12295,12378,12659,12856,12976,13167,13284,13297,13380,13383,13384,13436,13502,13586,13600,13606,13944,14071,14298,15359,15487,15501,15865,15998,16016,17190,17193,17194,17209,17450,17467,17489,17656,17727,17741,18049,18243,18247,18249,18272,18371,18480,18543,18568,18589,18614,18747,18817,18821,19041,19043,19055,19284,19289,19364,19406,19854,19857,19870,19885,19895,19909,19911,20028,20053,20125,20153,20175,20212,20357,20373,20397,20673,20705,21400,21526,21581,21616,21843,21956,21965,21995,22037,22133,22140,22221,22254,22293,22296,22298,22463,23186,23213,23217,23227,23242,23353,23356,23444,23445,23486,23586,23732,23759,23777,23780,23969,24030,24299,24666,24724,24737,24757,25321,25330,25522,25680,25792,25831,25842,25844,25879,26174,26191,26407,26425,26480,26523,26596,26614,26637,26638,26644,26843,27518,27523,27599,27688,27689,27947,27956,27979,28330,28619,28703,29537,29731,29837,29996,31345,33245,33271,33448,33474,33504,33513,34367,34453,34502,34510,34745,36160,36161,36284,36375,36415,36426,36490,36491,36496,36766,36767,36844,37152,37430,37560,37630,37754,37816,37977,38016,38099,38104,38126,38157,38376,38392,38467,38522,38776,38834,38968,38997,39083,39165,39188,39245,39309,39314,39346,39364,39502,39522,39570,39583,39655,39729,39730,39731,39807,39881,39937,40061,40120,40193,40206,40272,41608,42811,43034,43040,43043,43067,43470,43601,43662,44204,44321,44728,44862,44865,45154,45295,45296,45306,45312,45637,45708,45730,45972,46009,46027,46065,46177,47856,48247,48340,48588,48589,48838,48942,49039,49134,49183,49195,49304,49323,49331,49337,49419,49512,49546,49640,49751,49774,49775,49840,49843,49875,49892,49927,49992,50031,50099,50103,50189,50218,50296,50349,50392,50423,50440,50471,50506,50511,50512,50619,50717,50884,50916,51284,51296,51386,51395,51439,51608,51626,51694,51734,51739,51783,51806,51819,51834,51835,51841,51977,51986,52055,52143,52207,52261,52284,52335,52467,52612,52641,52748,52786,52861,52969,52975,53103,53111,53146,53147,53172,53199,53204,53220,53225,53230,53232,53233,53239,53247,53277,53346,53391,53432,53439,53482,53563,53612,53680,53681,53698,53726,53730,53771,53778,53885,54009,54051,54064,54098,54172,54238,54254,54353,54371,54413,54447,54454,54514,54516,54536,54537,54574,54585,54601,54630,54653,54654,54689,54690,54755,54816,54843,54920,54952,54954,54965,54967,54971,54987,55002,55011,55082,55090,55095,55099,55108,55122,55131,55217,55230,55237,55240,55248,55261,55270,55272,55297,55320,55342,55343,55394,55400,55428,55570,55574,55647,55651,55735,55762,55793,55798,55828,55886,55913,55927,55931,55949,55970,55985,55990,56015,56059,56215,56222,56234,56235,56247,56291,56296,56320,56418,56437,56514,56521,56524,56623,56631,56700,56902,56907,56933,56994,57067,57091,57092,57122,57137,57149,57151,57192,57213,57223,57240,57244,57310,57349
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:3]	541	1085,1884,1908,2120,2535,2830,2857,3035,3334,3424,3531,3550,3942,4084,4114,4169,4271,4300,4662,4730,5053,5449,5562,5921,6142,6179,6187,6256,6268,6440,6972,7295,7351,7413,7490,7571,9040,9907,9928,10364,10481,10672,10722,11141,11172,11186,11289,11433,11434,11550,11569,11697,11735,11901,11973,12201,12418,12445,12592,12840,12857,12910,13159,13249,13300,13535,13555,13638,13641,13775,13804,13980,14108,14164,14235,14290,14338,14353,14354,14388,14435,14520,14553,14600,15860,15898,16224,16352,16364,16398,16418,17126,17186,17484,17624,17733,19537,20078,24450,25396,25459,25546,25579,25650,25853,26277,26286,26403,26705,26706,26871,26884,26898,26982,26985,27025,27055,27088,27615,27618,27630,27704,27708,27709,27756,27811,27848,27867,28542,28562,28565,28597,28630,28672,28673,28680,28683,28736,28751,28752,28767,28779,28819,28842,29457,29480,29780,32368,32410,32481,33304,33313,33346,33372,33419,33436,33437,33453,33454,33457,33475,33492,33499,33507,33514,33517,33547,33549,33576,34277,34320,34351,34596,34619,34678,34742,34928,36009,36078,36188,36195,36203,36207,36227,36347,36365,36366,36396,36457,36782,36900,37219,37221,37283,37378,37387,37487,37506,37522,37553,37573,37574,37583,37639,37657,37775,37778,37783,37833,37854,37958,37985,38121,38122,38447,38487,38495,38625,38635,38790,38923,38957,39057,39096,39117,39191,39345,39642,39658,39819,39859,39875,39954,39955,40063,40257,40301,40331,40342,41369,41567,41589,42099,42488,42505,42593,42866,43247,43263,43265,43299,43608,44074,44322,44460,44632,44640,44702,44709,44719,44724,44731,44751,44752,44760,44761,44846,45164,45380,45528,45545,45573,45592,45668,45669,45716,45917,45944,46016,46043,46152,46170,46276,46307,47355,47771,48249,48372,48385,48402,48438,48440,48531,48574,48650,48652,48656,48702,48768,48789,48818,48819,48918,48988,49011,49068,49106,49141,49144,49192,49238,49249,49270,49346,49405,49477,49494,49526,49539,49618,49649,49676,49677,49687,49844,49873,49956,49962,50054,50161,50168,50332,50336,50393,50412,50416,50422,50541,50543,50544,50545,50593,50601,50631,50711,50713,50715,50737,50745,50746,50755,50758,50759,50765,50772,50831,50843,50870,50888,50900,50905,50906,50909,50920,51075,51210,51229,51354,51384,51404,51405,51419,51429,51441,51454,51486,51497,51528,51555,51558,51659,51692,51699,51708,51713,51717,51720,51727,51763,51771,51776,51778,51847,51870,51930,52188,52197,52200,52201,52275,52461,52469,52784,52785,52810,52814,52862,52870,52967,52998,53106,53117,53122,53152,53153,53155,53157,53158,53167,53170,53186,53192,53217,53221,53253,53283,53356,53371,53374,53378,53390,53661,53663,53666,53729,53735,53763,53832,53847,53852,53867,53877,53971,54050,54169,54212,54213,54232,54265,54267,54456,54463,54467,54471,54483,54539,54590,54594,54846,54895,54969,55023,55092,55094,55097,55098,55103,55104,55106,55111,55112,55114,55117,55124,55137,55138,55143,55180,55181,55183,55192,55195,55196,55205,55209,55213,55214,55242,55324,55353,55373,55413,55449,55596,55599,55605,55607,55654,55660,55662,55677,55682,55788,55795,55796,55797,55801,55854,55875,55914,55916,55923,55946,55971,56016,56033,56075,56163,56165,56676,56889,56903,56906,56910,56914,56916,56936,56943,57009,57010,57078,57093,57106,57130,57245,57271,57281,57314,57351,57361,57372
+[O:1]=[C:2]-[O:3]>>[O:1]=[C:2]-[O:3]-[C:5]-[C:4]	532	1872,1874,3215,3221,3225,3226,3230,3235,3236,3242,3246,3259,3273,3275,3277,3279,3316,3325,3327,3330,3336,3337,3338,3339,3351,3352,3355,3374,3375,3377,3378,3379,3386,3391,3398,3399,3402,3405,3406,3413,3415,3429,3442,4132,4272,4290,5011,5042,5061,5345,5799,6155,6408,6474,6481,7204,7327,7444,7676,7846,8838,9026,9032,9098,9451,10130,10202,10228,10270,10276,10292,10393,10541,10886,10893,11189,11197,11282,11413,11448,11808,11935,12071,12513,12559,12562,12884,13182,13189,13190,13492,13608,13947,14244,14305,14306,14464,14483,15495,15496,15789,15830,15871,15988,16060,16094,16140,16412,17150,17312,17324,17470,17525,17526,17644,17906,18073,18376,18437,18825,18901,19083,19130,19563,19781,19802,20111,20188,20313,20431,20582,20587,20862,20873,20875,22079,22424,22978,23069,23332,23498,23959,24207,24307,25027,25364,25548,25553,25578,25584,25644,25670,25733,25758,25814,25815,26281,26385,26773,26874,26896,27043,27083,27113,27128,27270,27286,27290,27413,27439,27467,27570,27572,27620,27830,27892,28589,28598,28620,28707,28722,28727,28845,28859,28860,28870,29334,29404,30831,30832,30838,30852,30858,30871,30872,31096,31097,31101,31102,31129,31138,31143,31147,31150,31151,31163,31243,31337,32477,32522,33391,34035,34039,34216,34245,34287,34387,34397,34476,34534,34608,34633,34699,34705,34706,34733,36229,36238,36239,36323,36332,36395,36515,36519,36524,36754,36774,36852,37094,37159,37186,37595,37664,37716,37759,37774,37784,37825,37849,37896,38022,38042,38400,38534,38622,38629,38658,38669,38705,39061,39107,39141,39159,39338,39344,39431,39508,39530,39645,39735,39760,39855,39862,39889,39913,39916,39976,40066,40073,40080,40091,40144,40152,40192,40364,40380,40381,40382,40385,40608,41366,41598,41974,43082,43083,43278,43300,43452,43469,43609,43850,44107,45176,45293,45298,45363,45409,45719,46052,46212,46214,46217,46220,46272,46273,47796,47840,48206,48225,48274,48275,48412,48521,48593,48797,48976,48982,49222,49296,49395,49430,49497,49499,49597,49650,49670,49747,49847,49906,49940,50008,50130,50198,50308,50407,50411,50457,50583,50587,50852,50907,50966,51107,51122,51140,51160,51162,51206,51237,51326,51401,51443,51445,51499,51556,51571,51572,51575,51577,51578,51610,51629,51740,51775,51832,51837,51849,51851,51852,51874,51884,52142,52214,52534,52699,52722,52729,52752,52799,52820,52904,52979,53017,53107,53124,53128,53129,53138,53149,53164,53171,53177,53223,53241,53260,53269,53270,53308,53320,53326,53327,53336,53355,53389,53396,53397,53400,53430,53513,53514,53518,53522,53559,53651,53653,53772,53835,53836,53837,53838,53839,53840,53842,53970,54055,54087,54309,54310,54344,54359,54368,54487,54494,54501,54507,54515,54570,54578,54607,54611,54619,54651,54662,54664,54679,54687,54688,54767,54771,54772,54779,54784,54842,54924,54978,54979,54991,55003,55006,55018,55189,55200,55252,55262,55287,55294,55302,55314,55339,55345,55395,55562,55580,55661,55674,55704,55872,55920,55932,55938,55952,55953,55974,55976,56030,56158,56254,56255,56257,56263,56319,56399,56559,56599,56607,56798,56847,56851,56899,56918,56934,56968,56988,56989,57065,57070,57101,57113,57136,57169,57171,57179,57197,57222,57234,57235,57239,57254,57283,57313,57364,57366
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6].[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:7]	436	1226,2188,2557,3843,3920,4026,4133,4259,4631,5133,5135,5148,5290,5343,5379,5451,5592,5641,5691,5705,5901,6062,6371,6663,6835,7061,7175,7244,7323,7414,7488,7737,7961,7989,7990,7999,8059,8862,8983,8989,8992,9000,9035,9273,9290,9341,9372,9374,9459,9471,9504,9522,9531,9819,9832,10099,10189,10281,10567,11149,11474,11484,11854,12056,12072,12416,12583,12896,12998,13474,13478,13479,13579,15266,15323,15329,15386,15994,16139,16141,16142,16171,16393,17479,18017,18034,18493,18611,18645,18725,18771,18793,18796,18797,18800,18833,18841,18851,18858,18869,18904,18960,18965,18973,19162,19269,19303,19460,19481,19871,20014,20054,20074,20107,20141,20151,20162,20269,20438,20475,20484,20769,20842,20850,21588,21728,21761,21771,21864,21867,21924,21957,22041,22088,22246,22250,22258,22276,22291,22325,22469,22604,22807,22938,22943,23054,23070,23072,23149,23363,23367,23405,23407,23409,23438,23490,23536,23558,23566,23575,23576,23643,23719,23751,23846,23925,23954,24210,24364,24459,24715,24742,24801,24815,24848,24849,24881,24885,24887,24922,24998,25581,25633,25889,25891,25921,25922,25941,26204,26418,27033,27303,27394,27527,27647,27750,27810,29191,29359,29376,29379,29452,29747,29797,30933,33244,34073,34223,34275,34393,34401,34514,34586,34661,34687,35939,36252,36266,36810,36841,37427,37441,37455,37473,37579,37771,37913,37927,38026,38076,38078,38411,38566,38567,38664,38684,38767,38835,38996,39055,39169,39180,39241,39251,39252,39549,39633,39649,39707,39718,39721,39792,39965,39987,40030,41348,41425,43065,43888,44076,44101,44464,44868,44875,44876,44877,44878,44881,44883,44885,44886,44887,44888,44889,44890,44891,44893,44894,44895,44896,44900,44902,44904,44905,44906,44907,44908,44909,44911,44912,44913,44915,44916,44918,44919,44920,44921,44922,44923,44924,44925,44926,44927,44928,44930,44932,44933,44934,44935,44941,44943,44945,44948,44949,44950,44952,44954,44957,44958,44960,44961,44963,44967,44968,44969,44970,44971,44973,44974,44976,44978,44979,44980,44981,44982,44983,44984,44985,44988,44992,44993,44994,44997,44998,44999,45000,45002,45003,45004,45005,45007,45008,45009,45010,45014,45015,45017,45019,45020,45021,45022,45025,45026,45027,45028,45029,45030,45031,45033,45034,45035,45036,45037,45038,45039,45040,45041,45042,45043,45044,45045,45053,45054,45057,45058,45063,45064,45065,45066,45067,45068,45069,45071,45074,45075,45076,45077,45078,45080,45084,45088,45095,45096,45097,45098,45099,45101,45102,45103,45104,45105,45106,45107,45109,45111,45112,45113,45114,45115,45118,45119,45120,45122,45124,45125,45126,45127,45134,45136,45138,45139,45140,45141,45142,45143,45144
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:5].[c:1]-[O:2]	378	723,732,733,734,737,741,743,744,748,750,753,754,756,757,758,759,761,762,764,766,768,770,773,774,776,780,781,782,785,790,791,792,794,795,799,800,801,802,803,804,805,807,808,809,810,811,812,826,827,828,831,832,835,845,848,849,850,852,861,867,868,873,877,878,889,1227,1875,2085,2092,2093,2097,2100,2101,2106,2107,2108,2113,2116,2122,2191,2195,2523,2524,2543,2547,2834,2960,3282,3540,3704,3705,3706,3710,3711,3712,3714,3715,3716,3719,3728,3731,3732,3734,3735,3736,3737,3739,3747,3750,3757,3764,3767,3772,3773,3774,3779,3780,3781,3782,3826,3886,3888,3889,3902,3904,3921,4051,4058,4059,4061,4064,4065,4066,4075,4076,4078,4099,4101,4104,4110,4160,4826,4833,4836,4840,4845,4846,4848,4850,4851,4852,4854,4856,4858,4859,4860,4861,4863,4864,4865,4866,4867,4868,4869,4870,5159,5160,5162,5164,5166,5174,5179,5181,5204,5205,5557,5563,5564,5578,5579,5580,5582,5588,5667,5670,5673,5674,5675,5677,5747,5750,5751,5753,5754,5758,5759,5760,5761,5762,5764,5765,5766,5768,5769,5770,5771,5772,5773,5776,5782,5783,5784,5785,5786,5925,5953,6042,6128,6129,6130,6133,6135,6169,6170,6307,6446,6464,6822,6857,6858,7505,7538,7738,8930,8978,9120,9287,10339,10764,10770,10771,10772,10780,10781,10782,10784,10788,10789,10792,10793,11136,11734,12811,13255,14268,16181,16254,16255,16256,16259,16260,16261,16262,16263,16268,18039,18231,18232,18998,19034,19970,20470,20471,20494,20567,21716,22122,23317,23346,23696,23823,23824,24331,24909,24912,24914,24915,24916,24948,24950,25436,25944,26564,26565,26567,26568,26569,26571,26574,26676,26984,27371,27972,29235,29478,29619,29620,29621,29624,29626,29627,29783,29810,29811,29812,29819,29821,29848,29849,29852,30240,30962,30965,30966,30968,30970,30971,30973,30975,30977,33500,34358,36201,36384,37823,37946,39537,41299,41300,43134,43135,43482,43483,43640,43641,43642,43643,43646,43647,43649,43651,43652,43654,43655,43900,44713,45975,46015,47346,47360,47362,48195,48558,48856,48940,49392,49654,49658,49659,50066,50067,50071,50072,50705,52265,53540,54183,54200
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:6]	362	1225,1337,1537,1596,1597,1620,1702,1736,2469,2480,2498,2503,2825,2896,2942,2943,3067,3317,3913,3916,3946,3948,3952,3954,4199,4224,4261,4264,4361,4370,4379,4380,4384,4389,4390,4402,4441,4462,4473,4499,4571,4628,4682,5005,5036,5104,6319,6390,6439,6451,6477,6484,6489,6495,6687,6694,6975,7113,7172,7271,7305,7306,7349,7440,7462,7699,7736,7747,7774,7775,7776,8813,8815,8871,8889,9085,9185,9206,9210,9214,9247,9255,9319,9342,9348,9431,9474,9492,9512,9526,9931,9973,10019,10032,10096,10211,10212,10213,10345,10370,10371,10372,10373,10374,10375,10376,10377,10378,10380,10456,10712,10996,11020,11049,11054,11061,11574,11623,11625,11883,12089,12167,12297,12299,12315,12386,12402,12423,12427,12453,12459,12467,13177,13378,13449,13945,13946,14643,15780,15814,16085,16155,16368,16370,16810,17117,17119,17123,17448,17648,17665,17763,17780,17788,18245,18300,18466,18552,18591,18648,18689,18754,18760,18761,18937,19046,19423,19894,19900,19962,20004,20333,20372,20396,20519,20604,20701,21621,21630,21657,21803,21880,22027,22054,22175,22561,22573,22576,22582,22658,22659,23046,23209,23255,23311,23380,23392,23393,23414,23489,23503,23504,23573,23739,23745,23748,23897,23930,23967,23989,24676,25121,25601,25829,25905,25986,25989,26002,26393,26440,26481,26498,26595,26606,26609,26610,26613,26628,26650,26651,26663,26688,26742,26774,26822,26888,26972,26974,26977,27499,27612,27843,27948,27978,29310,29692,29874,29897,29971,29980,29987,30132,30163,30195,30211,30216,30258,30273,32252,32331,32335,32526,34660,36170,36171,36461,36814,37148,37149,37644,37678,37679,37959,38101,38130,38158,38169,38536,38761,38785,39262,39454,39474,39759,39900,39930,40195,40329,41281,41289,41290,41292,41765,41789,41848,41869,41875,41890,41909,41922,41927,41949,41992,42094,42100,42128,42862,43471,43777,43905,44152,44166,44183,44184,45390,45603,45608,46838,46847,46863,46882,48282,48311,48374,48523,49276,49862,49968,50238,50245,50290,50733,50940,51280,51526,51532,51845,52060,52075,52192,52199,52239,52259,52318,52354,52549,53030,53617,54012,54217,54331,54332,54562,54709,54810,55185,55223,55225,55232,56274,56276,56416
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[O:7].[C:1]-[N:2]-[C:6]	335	635,1295,1733,3103,3106,3115,3123,3131,3133,3135,3140,3805,3963,4019,4072,4637,4734,5022,5028,5076,5084,5097,5102,5129,5470,5593,5875,5973,6123,6148,6185,6257,6274,6287,6423,6453,6652,6988,6996,7000,7087,7284,7534,7555,7630,7646,7651,7706,7712,7790,7804,7826,7829,7873,7979,7980,8905,8956,9020,9023,9075,9111,9114,9215,9248,9249,9584,9587,9588,9592,9661,9664,9673,9682,9683,9688,9695,9706,9768,9772,9799,10033,10055,10078,10079,10089,10252,10253,10293,10343,10395,10396,10460,10461,10543,10635,10710,10711,10713,10809,10812,11499,11583,11601,11743,12068,12357,12417,12553,12637,12677,12678,12680,12685,12694,12711,12750,12755,12768,12889,12918,12994,13011,13012,13020,13028,13030,13031,13034,13036,13037,13039,13298,13375,13376,13377,13410,13441,13470,13544,13613,13654,13691,13727,13736,13759,13761,13764,13777,13787,13796,13815,13849,13864,13873,13874,13899,13900,13905,13968,14075,14364,14580,14730,14732,14802,14832,14833,14840,14841,14848,14853,14855,14884,14896,14897,14899,14909,14917,14948,14954,14957,14965,14966,14967,14995,15083,15087,15090,15158,15159,15169,15171,15183,15213,15221,15239,15541,15544,15551,15557,15587,15608,15612,15693,15700,15707,15754,15763,15997,16126,16210,16218,16385,17130,17183,17521,17829,17830,18479,18681,18685,18731,18932,19613,19649,19678,19697,19717,20043,20046,20195,20196,20446,20609,21801,21842,21955,22032,22251,22287,22568,22569,22570,23045,23203,23236,23254,23265,23269,23448,23454,23650,23655,23693,23742,23743,23744,23750,23847,24006,24047,25636,25653,25654,25764,25765,26485,26698,26886,29570,29832,30939,31012,31954,31965,32253,32254,32256,32490,32511,32574,32577,32636,32652,32677,32682,32684,32693,32701,32704,34348,36260,36283,36343,38484,38598,39490,40159,40160,40173,40260,41282,41283,41284,41285,41286,41291,41293,41458,41486,41691,44864,45187,46112,48220,48384,49070,50441,50447,51184,52007,52144,52176,52183,52184,52252,52430,52432,53705,54205,54383,54569,54710,54724
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[Br:7].[c:1]:[c:2](:[c:6])-[B:9](-[O:8])-[O:10]	324	1077,1110,3080,3335,3360,4098,6385,6424,7350,8779,9062,9448,10244,10394,10488,10498,10708,10735,11139,11897,12325,12827,13288,13305,13490,13620,13622,14042,14046,14140,14436,14437,15931,16154,16324,16813,17157,17245,17885,17886,18223,18468,18471,18476,18502,18515,19194,19272,19538,19566,19799,20038,20237,20530,20560,20599,22814,22973,22974,22975,22976,23522,23779,24282,25211,25339,25343,25519,25520,25535,25562,25564,25565,25566,25693,25847,26192,26416,26521,26656,26660,26752,27416,28658,28837,29497,30224,30555,31895,32396,33334,33358,33494,34353,34357,34370,34505,34521,34728,35926,37652,37659,37918,37923,37994,38068,38069,38070,38071,38374,38504,38937,39193,39194,39195,39320,39368,39371,39376,39378,39379,39380,39381,39382,39383,39587,39610,39612,39613,39614,39739,39740,39741,39971,41363,41649,42550,42552,42554,42661,43015,43587,44282,44613,44633,44689,44700,44735,44799,44852,45259,45374,46154,46399,46401,46403,46404,46405,46406,46409,46410,46413,46415,46423,46427,46440,46443,46448,46450,46456,46457,46458,46460,46462,46463,46464,46467,46473,46476,46477,46478,46492,46493,46498,46502,46505,46507,46508,46509,46510,46511,46512,46516,46522,46528,46529,46530,46531,46533,46538,46541,46542,46543,46544,46546,46547,46551,46554,46555,46562,46564,46566,46567,46568,46572,46587,46588,46598,46602,46607,46609,46621,46625,46627,46628,46630,46632,46633,46634,46635,46636,46637,46638,46641,46642,46643,46645,46646,46648,46651,46658,46659,46660,46663,46664,46666,46671,46673,46677,46681,46682,46684,46689,46690,46707,46708,46712,46717,46724,46725,46729,47812,48223,48231,48240,48241,48306,48450,48625,48772,49246,49253,49329,49342,49414,49415,49550,49594,49602,49612,49639,49652,49655,50035,50116,50226,50342,50399,50487,50524,50580,50684,50865,50923,50973,50979,51014,51039,51053,51080,51083,51137,51138,51141,51155,51217,51893,51894,51895,51899,51903,52013,52695,53407,53408,53414,53418,53426,53436,53496,53498,53785,54108,54109
+[C:1]-[N:2]>>[C:1]-[N:2]-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]	316	11584,17510,19889,19924,19925,19929,19930,19935,19940,19942,19946,19953,19955,19971,19987,19989,19990,19993,20007,20010,20011,20017,20024,20033,20040,20060,20069,20072,20077,20081,20083,20084,20085,20086,20087,20094,20101,20106,20109,20112,20113,20114,20117,20118,20127,20130,20143,20154,20157,20158,20159,20160,20161,20178,20184,20185,20187,20190,20193,20194,20205,20206,20210,20211,20213,20216,20219,20220,20222,20229,20230,20231,20232,20242,20246,20249,20260,20261,20262,20265,20266,20267,20270,20272,20273,20275,20278,20279,20282,20283,20284,20288,20289,20291,20292,20293,20294,20295,20296,20298,20299,20300,20301,20302,20303,20304,20305,20307,20308,20309,20310,20311,20332,20335,20341,20342,20343,20346,20348,20350,20352,20362,20363,20365,20376,20377,20382,20387,20392,20410,20414,20415,20423,20435,20437,20443,20451,20459,20460,20462,20464,20465,20476,20482,20486,20493,20503,20504,20505,20508,20517,20518,20522,20526,20527,20528,20531,20548,20552,20553,20555,20558,20561,20565,20566,20570,20571,20572,20573,20574,20577,20583,20589,20590,20592,20593,20597,20601,20603,20608,20611,20612,20615,20616,20619,20622,23225,23229,23271,23275,23281,23297,23298,23316,23326,23327,23329,23331,23333,23347,23383,23396,23399,23400,23419,23420,23432,23440,23460,23462,23465,23466,23469,23477,23479,23494,23559,23562,23578,23580,23581,23592,23593,23597,23604,23606,23607,23636,23638,23640,23641,23644,23663,23668,23669,23672,23675,23677,23678,23682,23685,23690,23691,23697,23713,23715,23738,23781,23786,23787,23791,23795,23802,23804,23826,23833,23837,23842,23843,23844,23848,23850,23852,23860,23864,23865,23876,23878,23879,23880,23881,23900,23901,23902,23903,23904,23909,23913,23921,23927,23928,23929,23932,23939,23941,23945,23951,23952,23953,23957,23958,23960,23963,23973,23974,23981,23987,23994,23995,23996,24003,24007,37260,37497,37986,38371,38391,38607,38873,39076,39646,39732,39878,52081,52140,56098
+[n:1]:[c:2]:[c:3]-[N:4]>>[n:1]:[c:2]:[c:3]-[N+:4](=[O:5])-[O-:6]	289	1091,1216,1221,3033,3255,3304,3384,3388,3867,4739,5340,5916,7058,8899,9054,9301,9480,10052,10064,10105,10230,10231,10233,10238,10562,11357,12612,12795,12803,12880,12956,13201,13435,13438,13982,14156,14304,14309,14315,14519,15303,15311,15388,15469,15875,15897,15918,15948,16146,17163,17164,18454,18838,19081,19152,19155,19454,20122,20123,20214,20337,20347,20349,20703,21749,21895,22033,22058,22487,22623,22692,22730,23292,23611,23803,23853,23857,23916,23919,23922,24026,24083,24089,24255,24719,24738,24843,24844,24973,25017,25058,25375,26030,26053,26201,26878,27042,27075,27116,27118,27278,27447,28833,29324,29935,30294,30296,30882,31000,31153,32373,32408,32420,32469,33247,34266,34267,34362,34390,34663,34671,34740,36275,36398,36453,36513,36761,36786,37287,37748,37751,37869,37966,37969,38034,38490,38595,38846,38884,39111,39675,39683,39784,39827,39830,39850,39897,40028,40158,40394,40395,40594,41336,41388,41389,41390,41970,41972,42435,42500,42574,42640,42815,42816,43072,43338,43339,43436,43553,43619,43622,43791,45166,45961,46321,47798,47805,47807,47831,48212,48319,48331,48379,48383,48529,48559,48647,48648,48649,48735,48812,48867,48891,48892,48967,49007,49017,49075,49116,49206,49216,49223,49313,49485,49529,49608,49744,49745,49804,49810,49883,49948,49964,49983,50007,50021,50051,50137,50272,50425,50469,50559,50934,51422,51476,51607,51690,51707,51773,51820,51881,51999,52742,52962,52963,52964,52965,53384,53558,53570,53684,53814,53887,54303,54349,54384,54604,54648,54655,54693,54729,54995,55160,55485,55600,55615,55669,55680,55787,55845,55859,56036,56180,56312,56361,56374,56407,56456,56652,56762,56871,56883,56892,56947,56959,56969,56976,57039,57058,57076,57107,57108,57109,57153,57186,57229,57231,57279,57334
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]	286	1498,1910,2769,2895,3069,3854,3949,4365,4392,4393,4394,4395,4396,4398,4400,4419,4445,4452,4454,4496,4497,4498,4573,4971,4972,5088,6050,6051,6253,6281,6324,6325,6346,6373,6383,6470,6479,6497,6501,6562,6570,6571,6572,6577,6581,6637,6644,6678,6690,7167,7270,7334,7754,7755,7870,7895,7896,7902,7903,7944,8780,8836,8939,9411,9419,9547,9811,9873,10114,10124,10268,10308,10453,10522,10538,10688,10689,10832,10833,10849,10989,10998,11005,11032,11039,11041,11043,11046,11055,11591,11627,11750,11945,12207,12373,12374,12428,12434,12435,12444,12616,12954,13187,13505,13506,13510,13530,13604,14003,14053,14083,14178,14206,14372,14374,14376,14403,14409,14412,14642,15442,15463,15467,15473,16018,16051,16336,16504,17597,17670,17708,17882,18037,19117,19208,19768,20092,20172,20235,20238,20381,20384,21814,21933,22076,22237,22635,22642,22937,23107,23325,23757,23778,23783,23986,24133,25286,25903,25990,26001,26005,26015,26431,26621,26962,27035,27316,27327,27407,27849,27856,27877,27889,28817,29313,29402,29505,29506,29718,29726,29890,30152,30174,30181,30187,30188,30274,30275,30620,30991,30992,33318,33560,33732,34313,34454,36055,36132,36748,36749,36906,37051,37433,37462,37546,37714,37802,37803,37837,37860,38657,38876,38896,39151,39413,39450,39475,39477,39876,40177,40307,41456,41762,41775,41776,41818,41834,41859,41865,41868,41876,41881,41892,41910,41939,42006,42013,42014,42504,42594,43044,43292,43342,44191,44194,44195,45391,45577,45710,48131,48134,48166,48290,48337,48673,48760,48847,48989,49107,49168,49309,49360,49536,49766,49767,50018,50202,50247,50375,50452,50557,51085,51183,51338,51492,51592,51850,52389,53180,53229,53307,53632,54280,55404,55933,56217
+[N:1]-[C:2]-[C:3]>>[N:1]-[C:2](-[C:3])=[O:4]	274	2098,3031,3296,3932,4097,4122,4139,4665,4999,5198,5642,6757,6790,7002,7039,7065,7124,7151,7214,7368,7399,7589,7671,7843,7878,7885,8954,9112,9243,9412,9477,9627,9825,9855,9856,9970,9981,10015,10088,10199,10637,10673,11494,11578,11981,11985,12141,12582,12586,12587,12788,12792,12794,12804,12805,12816,12817,12949,13198,13289,13291,13296,13408,13494,13570,13571,13793,13967,14112,14147,14176,14326,14327,14328,14645,14991,15139,15268,15335,15336,15353,15409,16063,16347,16808,17221,17403,18012,18025,18629,19197,20108,21868,21869,21878,21948,21949,22544,23074,23239,23244,23401,24789,24891,24942,25158,25531,25828,26171,26464,26534,26769,27089,27923,27929,28587,28712,28875,29396,29443,29444,29526,29529,29749,30222,30272,31881,31884,31887,31909,31910,31921,32359,32366,33531,33623,34459,37117,37150,37743,37772,37811,37838,37889,37893,38005,38031,38106,38672,39488,40012,40169,40170,40613,41603,41671,42472,42730,43296,43698,43893,43894,43895,43906,45591,45602,46174,46180,46181,48368,48416,49493,49519,49851,49852,50250,50343,50687,50729,51221,51222,51287,51288,51317,51341,51359,51551,51621,52009,52138,52151,52181,52196,52237,52244,52276,52300,52306,52314,52315,52317,52323,52326,52327,52329,52332,52338,52340,52347,52352,52379,52417,52702,53394,53455,53492,53727,53862,53918,54005,54013,54046,54182,54190,54221,54234,54251,54348,54350,54378,54556,54723,54839,54858,54908,54944,54947,55014,55062,55067,55659,55667,55832,55860,55925,56027,56101,56125,56130,56136,56219,56226,56228,56317,56321,56328,56333,56338,56353,56356,56372,56375,56390,56391,56410,56430,56511,56548,56592,56713,56803,56920,56929,57335
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:7]-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:9]:[c:8]:1	270	2879,5121,7497,7546,8853,8855,9888,10439,10496,11833,12978,14329,15973,17379,17425,17488,17612,17844,17847,18305,18352,18362,18778,19090,19549,19801,19820,19898,20148,20351,20418,20457,20578,20596,21429,21503,22343,22374,22843,22856,23052,23320,23360,23813,23948,24346,24400,24794,24847,25345,25683,25709,26033,26034,27356,27568,27835,28716,29793,33933,36189,37597,37725,37947,37952,37989,38651,38833,39025,39210,39216,39258,39400,39908,39988,40351,40363,43716,45309,45369,45931,46089,49389,51785,51876,52255,52308,52652,52653,52660,52661,52662,52663,52670,52672,52673,52675,52683,52684,52691,52692,52697,52701,52703,52704,52710,52712,52713,52715,52717,52718,52720,52726,52727,52731,52732,52733,52734,52736,52738,52743,52744,52747,52749,52753,52754,52755,52756,52760,52792,52879,52913,53174,53246,53273,53295,53299,53385,53562,53710,53723,54275,54277,54450,54478,54479,54614,54685,54809,54848,54926,55070,55096,55182,55300,55301,55304,55305,55306,55307,55309,55310,55312,55313,55346,55367,55369,55374,55463,56259,56260,56618,56622,56628,56629,56633,56640,56648,56651,56653,56654,56657,56658,56662,56666,56669,56670,56672,56677,56679,56681,56683,56684,56686,56687,56688,56690,56701,56714,56715,56718,56722,56723,56724,56725,56726,56729,56730,56735,56736,56738,56739,56743,56753,56754,56756,56757,56758,56759,56761,56763,56766,56767,56768,56773,56778,56780,56784,56785,56789,56790,56792,56795,56796,56797,56799,56802,56804,56806,56807,56808,56810,56812,56813,56818,56820,56823,56824,56826,56828,56830,56837,56840,56841,56843,56844,56845,56846,56848,56849,56853,56854,56856,56857,56859,56863,56868,56913,57017,57126
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1]:[c:2](:[c:3])-[Br:7].[O:4]-[B:5](-[O:6])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16]	234	1508,1531,3072,4096,5977,7470,9072,9468,9521,10075,10355,10487,10634,10638,10697,10930,10940,11232,11309,11350,11361,11961,11964,11966,12644,12834,13132,13362,13500,13996,14165,14191,14453,15506,15921,16275,17162,17580,18575,25382,25445,25859,26054,26055,26115,26131,26875,27091,27645,27904,27990,27992,27993,27996,27997,27998,27999,28001,28006,28008,28009,28010,28012,28013,28015,28016,28018,28020,28021,28024,28047,28048,28051,28052,28053,28056,28061,28063,28064,28065,28066,28067,28068,28069,28070,28071,28072,28073,28074,28075,28076,28078,28079,28081,28083,28084,28086,28089,28090,28091,28092,28095,28096,28098,28099,28103,28104,28105,28107,28108,28109,28110,28111,28112,28114,28115,28116,28117,28118,28119,28120,28121,28122,28125,28127,28128,28130,28133,28136,28137,28138,28139,28140,28141,28142,28143,28144,28145,28146,28147,28148,28149,28150,28151,28153,28155,28157,28158,28159,28160,28161,28162,28163,28164,28165,28166,28169,28170,28171,28172,28173,28174,28175,28176,28177,28179,28181,28183,28184,28186,28187,28188,28189,28190,28191,28192,28193,28194,28196,28197,28198,28199,28202,28203,28204,28205,28206,28207,28208,28210,28213,28215,28216,28217,28218,28219,28220,28221,28222,28223,28224,28225,28226,28227,28228,28229,28230,28231,28232,28233,28234,28235,28236,28237,28238,28241,28245,28248,28249,28256,28257,28258,28259,28260,28261,28262,28263,28266,28270,28271,28272,28279,28280,28281
+[C:1]-[N:2]>>[C:1]-[N:2]=[N+:4]=[N-:3]	234	3507,3551,3660,4011,4087,4108,4294,4617,4632,4906,5016,5714,7234,7609,7998,9142,9272,9553,10271,10687,12383,12436,12442,12950,13178,13549,13557,15305,15406,15831,16316,17607,17836,18190,18191,18556,18584,18590,18744,18811,18829,19363,19368,19739,19896,19964,19978,20016,20540,20871,21522,21601,21727,21844,21866,21998,22038,22053,22134,22320,22322,22334,22755,22908,23066,23337,23369,23395,23565,23733,24194,24337,24718,24726,24756,24930,26832,26897,27789,28639,28687,28811,29348,29420,29904,33409,33733,34601,37669,37961,38282,38367,38736,39095,39596,39673,40005,40010,40027,40352,41345,41423,41424,41426,41427,41430,41431,41432,41482,41483,41484,43448,43720,44105,45262,45640,46020,46083,46116,46164,47832,47834,47835,47836,47837,47839,47841,47843,47848,47849,47850,47851,47853,47854,47855,47857,47858,47860,47861,47864,47865,47867,47868,47869,47870,47871,47872,47873,47874,47875,47877,47878,47879,47880,47881,47882,47883,48515,48658,48665,49121,50482,50945,51330,51376,51430,51723,51751,51755,51770,51829,51836,51872,52005,52037,52179,52242,52272,52325,52372,52490,52492,52493,52494,52505,52515,52516,52569,52571,52812,52866,53096,53182,53359,53380,53393,53533,53611,53708,53736,54222,54290,54313,54410,54421,54759,54825,54893,54960,54966,55100,55113,55133,55260,55271,55273,55296,55529,55829,56024,56029,56092,56118,56168,56216,56326,56422,56423,56510,56593,56772,56951,57140,57258
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]>>[O:5]-[C:6].[C:1]-[Si:2](-[C:3])(-[C:4])-[Cl:7]	230	1206,1328,1329,1343,2115,2184,2555,2776,2831,3829,4035,4068,4192,4243,4267,4540,4544,4639,4671,5136,5146,5234,5259,5283,5297,5359,5361,5362,5811,6178,6868,7091,7372,7709,7785,8900,9365,9366,9367,9371,9478,9570,10465,10729,11164,11270,11986,12307,12991,13044,13063,13155,13157,13424,13808,14126,14508,14847,14895,16095,16120,16138,16143,17436,18051,18412,18470,18555,20009,20089,20165,20855,21871,21976,21996,22457,22489,22879,23230,23237,23273,23555,23829,24481,24482,24483,24484,24485,24486,24487,24488,24489,24490,24492,24493,24494,24495,24497,24498,24503,24504,24506,24507,24508,24511,24512,24513,24514,24516,24517,24518,24519,24520,24522,24524,24525,24526,24527,24530,24531,24532,24533,24534,24535,24536,24537,24538,24539,24540,24541,24542,24543,24544,24545,24546,24548,24550,24555,24557,24561,24562,24564,24567,24568,24569,24570,24572,24578,24581,24582,24586,24587,24588,24589,24590,24591,24593,24594,24595,24596,24597,24599,24600,24601,24602,24603,24604,24605,24606,24607,24608,24610,24611,24612,24613,24614,24615,24616,24617,24619,24620,24621,24622,24625,24626,24629,24630,24631,24632,24633,24635,24636,24637,24638,24639,24641,24642,24643,24644,24645,24646,24647,24648,24650,24651,24652,24653,24655,24656,24657,24658,24659,24660,24661,24662,24663,26049,27504,27505,27510,27511,27513,29836,29842,31302,31303,31304,34119,34121,34128
+[c:1]:[c:2](-[O:3]-[C:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[O:6].[O:3]-[C:4]	214	2522,3331,3453,3748,3756,3760,3821,3822,3824,3931,4172,4505,4603,4620,4683,5001,5175,5180,5191,5231,5232,5256,5284,5339,5438,5560,5561,5679,5680,5931,6294,6342,6672,7096,7611,7614,8827,8946,9328,9369,9370,9375,9576,10097,10100,10283,10286,10287,10660,10666,10667,10826,10827,10913,11460,11738,11777,11824,12260,12275,12620,12622,12655,13389,13476,13486,13583,14004,14382,15377,15842,15844,15995,16106,16134,16272,17207,17243,18638,19158,19159,19160,19167,19171,19179,19181,19185,19186,19187,19472,19518,19991,20330,20331,20532,20534,20595,21517,21518,22044,22099,22168,22605,22618,23220,23926,24204,24250,24957,25399,25551,25651,25667,25920,26104,26108,27170,27395,27396,27412,27487,27490,27749,27824,27825,28633,28771,29184,30561,32379,32949,34473,34474,34478,34529,35927,36082,36083,36424,36464,36755,37062,37844,37990,38045,38446,39288,39289,39311,39326,39363,39409,39536,39803,39810,41639,42536,42794,43558,43713,43728,44727,45248,45889,46269,47335,47342,47344,48395,48591,48592,48744,48854,49335,49341,49378,49385,49428,49620,50386,50435,50522,50592,50600,50774,51046,51394,51466,51471,51733,52018,52366,52625,52922,52924,52930,52931,53079,53488,53491,53525,53737,54008,54143,54176,54272,54373,54835,55031,55036,55054,55732,55746,56794
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3])=[O:4]	210	2460,2772,2807,2891,3562,3578,3810,3812,3878,4173,5081,6222,6414,6579,7092,7312,7439,7942,8908,8925,9059,9213,9222,9331,9387,9394,9815,9889,11462,11472,12312,12397,12982,14449,18013,18080,18183,18184,18569,18579,18646,18651,18669,18687,18688,18740,18767,18783,18999,19000,19741,19777,19814,19961,19980,20126,20223,20226,20356,21513,21811,22057,22121,22161,22166,22344,22456,23206,23264,23267,23350,23372,23373,23384,23453,23471,23599,23841,23849,24371,24705,24766,24777,25404,25454,25830,26172,26182,26278,27547,27582,27907,27942,28702,29536,33497,33503,33529,34014,34189,34369,36251,36285,36338,36839,36842,37568,37684,37798,38043,39164,39166,39275,39315,39321,39340,39348,39453,39526,40314,41604,43050,43333,43334,43336,43699,43818,43897,45153,45366,45529,45659,45939,46263,46298,46799,46826,48487,48837,49029,49103,49260,49371,49510,49860,49980,50236,50243,50248,50291,50556,50751,50829,50892,51006,51204,51342,51987,52064,52098,52224,52283,52292,52533,52607,52871,53263,53440,53452,53475,53477,53642,53685,53743,53760,53817,53820,54236,54247,54419,54442,54453,54498,54561,54597,54666,54741,54897,55010,55048,55539,55650,55652,55926,55986,56103,56210,56214,56264,56269,56315,56497,56502,56517,56733,56815,56819,56963,56966,57032
+[c:1]-[O:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:5].[c:1]-[O:2]	206	902,912,1228,1502,1741,2131,2145,2165,2880,3396,4816,4819,5054,5078,5360,5376,5381,5715,5930,6102,6134,6164,6174,6188,6249,6265,6330,6405,6429,6503,6513,6515,6516,6518,6521,6522,6523,6588,6738,7358,7540,8000,10721,10877,11827,11968,12011,12252,12450,15390,16409,16410,16413,16415,16473,17178,18394,18403,20055,20170,20455,22845,22854,23094,23215,23579,25267,25326,25361,25463,25594,25596,25837,27608,27662,27672,27716,28643,29374,31160,33324,33476,33528,33539,34412,34605,35928,36049,36079,36141,36741,37518,37984,38628,38649,38910,39047,39992,40274,41343,41445,41647,42697,42698,43026,43130,43421,43422,43478,43494,43892,44200,44298,44459,44657,44715,44720,44721,44730,44737,44777,44784,44785,46126,47338,47343,47347,47358,47359,47769,47825,48443,48633,48677,48678,48681,48684,48742,48750,48863,48874,48903,48904,49048,49148,49171,49236,49244,49302,49319,49511,49533,49564,49590,49610,49656,49660,49872,50156,50166,50186,50372,50417,50434,50470,50495,50535,50550,50640,50701,50722,50793,50806,50840,50849,50863,50885,50928,50929,50930,50954,50997,51010,51036,51169,51207,51593,51691,53140,53382,53644,54448,54466,54750,55027,55028,55032,55044,55045,55046,55049,55069,55675,55906,56196,56200
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[N:8](-[C:9])-[C:10].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:18]-[C:16](-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14])=[O:17]	205	1090,1540,2564,3467,3570,4329,4538,4653,4742,5027,5031,5258,5372,5478,5684,6476,6873,6982,7140,7324,7373,7622,7628,7708,7718,7792,8049,8050,8957,9467,9579,9621,9655,9671,9686,9687,9711,9788,10419,10559,10824,11073,11097,11182,11184,11234,11535,12215,12385,12990,13151,13545,13546,13807,13836,13848,13854,13880,13888,14123,14475,14744,14775,14820,14976,15138,15143,15155,15166,15188,15210,15217,15223,15232,15250,15252,16229,16433,16438,16807,20884,20885,20886,20887,20899,20909,20910,20911,20922,20930,20934,20937,20941,20953,20957,20959,20960,20970,20974,20979,20984,20986,20987,20989,20990,20992,20993,20994,20996,20998,20999,21000,21001,21002,21006,21035,21055,21056,21057,21059,21065,21071,21075,21087,21104,21108,21109,21115,21116,21120,21121,21123,21127,21130,21133,21137,21140,21142,21144,21145,21151,21158,21160,21171,21174,21176,21178,21179,21182,21186,21189,21195,21197,21198,21201,21205,21206,21207,21209,21214,21215,21219,21221,21224,21227,21231,21236,21243,21244,21245,21247,21251,21256,21259,21260,21263,21265,21270,21273,21276,21290,21292,21298,21300,21301,21303,21307,21312,21315,21318,21320,21321,21323,21330,21339,21340,21343,21348,21349,21357,21358,21360,21361,21362,21363
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-[O:3]	205	2569,3044,4085,4196,4197,4487,4549,5034,5217,6083,6224,6527,6906,7335,7339,7604,7735,7862,9003,9274,9300,9368,9446,9823,9883,10043,10152,10437,11876,11877,11878,12144,12306,13194,13475,13477,15360,15391,15511,16371,16499,17407,17413,17476,17478,17792,18218,18390,18472,18508,18650,18655,18686,18699,18788,18794,18809,18815,18857,18882,18964,18977,18982,19956,20049,20233,20250,20268,20358,20483,20864,22020,22046,22135,23293,23299,23385,23402,23411,23451,23473,23600,24826,24863,24928,24956,25036,25039,25066,25324,25341,25631,25806,25890,25914,25932,25933,25934,25935,25938,25951,26021,26173,26438,26986,27419,27544,29370,29535,29712,31935,31936,33331,33434,33506,33965,34018,34081,37166,37415,37686,37747,37801,37806,38105,39168,39466,39576,40023,40186,41588,43253,43496,45156,45540,45606,45886,45921,45924,46925,46940,46941,47383,47423,48292,48501,48590,49825,49831,49870,49900,50080,50283,50720,50728,50757,50875,51255,51403,51432,51825,52498,52512,52525,52526,52636,52640,53064,53086,53248,53467,53541,53804,53819,53906,54187,54268,54269,54544,54739,55144,55460,55759,55917,55964,55996,56049,56077,56096,56097,56134,56151,56182,56213,56248,56250,56370,56431,56473,56581,56587,56610,57025,57135,57256
+[C:1]-[N:3]-[C:2]>>[C:1]-[N:3](-[C:2])-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:10]:[c:9]:1	199	2955,7460,7879,7984,8040,9441,9854,10006,10007,10023,10024,10026,10027,10028,10029,10126,11551,11552,13171,13173,13295,13299,13536,13556,13635,13930,13973,14054,14102,14110,14148,14149,14150,14153,14198,14308,14319,16088,18372,18558,18872,19201,19408,19410,19575,19593,20416,20420,20468,21841,21854,21862,21987,22096,22142,22385,22859,23041,23188,23564,23681,23684,23835,24045,24961,25000,25640,29349,29574,29580,29789,31897,31955,33945,34572,37157,37688,37892,37982,38117,38127,38403,38426,38472,38542,38608,38947,39756,45406,52074,52178,52246,52295,52299,52324,52331,52333,52336,52339,52341,52342,52344,52345,52349,52350,52351,52355,52357,52358,52360,52361,52362,52363,52364,52365,52367,52371,52373,52374,52377,52378,52384,52385,52386,52391,52393,52399,52400,52401,52402,52403,52404,52407,52409,52410,52412,52413,52418,52419,52420,52421,52422,52426,52427,52439,52440,52441,52872,52982,53774,54287,54543,54577,54722,54727,54735,54738,54749,54773,54792,54803,55024,55466,55733,56082,56084,56283,56285,56286,56287,56332,56334,56335,56336,56337,56340,56344,56347,56352,56357,56358,56360,56364,56366,56367,56368,56371,56373,56376,56377,56378,56379,56380,56381,56382,56384,56385,56919,57071
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:6].[c:1]-[N:2]	197	626,1469,1700,1710,1721,2274,2275,2276,2281,2282,2285,2287,2290,2294,2317,2321,2325,2327,2328,2333,2335,2337,2340,2342,2346,2349,2352,2353,2355,2358,2359,2364,2366,2372,2377,2385,2386,2387,2388,2397,2403,2410,2414,2417,2420,2423,2428,2429,2444,2445,2448,2450,2764,3075,3892,3894,3896,4015,4119,4303,4306,4307,4308,4309,4311,4568,4756,4757,4766,4767,5570,5880,5956,6037,7953,7954,7955,7981,9012,9986,10046,10187,10518,10590,10607,10608,10610,10611,10612,10617,10622,10626,10628,10705,11347,11492,11708,11848,12082,12083,12138,12139,12140,12363,12393,13371,14183,14280,14281,15424,17330,17333,17334,17340,17341,17342,17347,17348,17351,17352,17354,17356,17357,17359,17362,17632,17635,17636,17637,18197,19275,25370,25851,25852,26118,26189,26446,26452,26453,26715,29660,29669,29678,29680,29685,29713,29822,29825,29827,29856,34820,34821,34823,34827,37139,38574,38817,39689,39774,40006,40110,40353,41272,41455,42384,42391,42401,42413,42588,42620,42642,42652,42655,43500,43911,43943,43962,43965,43971,43973,43977,43987,43992,43995,43999,44006,44007,44008,44010,44012,44019,44035,48688,48710,50658,51058,54850
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:6].[O:4]-[C:5]	188	1538,2493,2500,2501,2539,2542,2821,3804,3811,3832,4079,4154,4919,5075,5141,5192,6127,6255,6282,6286,6296,6303,6304,6312,6313,6416,6418,6419,6422,6434,6438,6442,6549,6551,6559,6781,6856,6891,7044,7299,7329,7943,9124,9211,9254,10344,10420,10472,10500,10725,10952,11468,11487,11615,11784,11792,12107,12111,12118,12279,12432,12439,12660,13196,14646,14647,14650,15381,16399,16403,16804,17122,18585,19988,20621,22586,23741,25602,26612,27160,27668,28743,29531,29542,29861,30254,30310,30312,30322,30329,30338,30339,30341,30392,30398,30409,30412,30419,30423,30435,30448,30457,30459,30460,30461,30463,30471,30472,30473,30475,30480,30482,30483,30485,30497,30498,30500,30502,30507,30508,30509,30510,30513,31244,32726,32752,32753,32757,32763,32773,32780,32787,32806,32807,32812,32825,32850,32889,32900,32901,32905,32907,32925,32927,32939,32943,32954,32956,32971,32973,32986,32987,32990,33001,33013,33029,33045,33051,33064,33077,33078,33079,33088,33091,33095,33097,33099,33103,33107,33112,33124,33128,33149,33150,33156,33167,33168,33169,33174,33175,33881,33883,37443,44130,44179,46837,50941,54412
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:6].[C:1]-[N:2]-[C:5]	187	749,783,858,862,869,874,875,876,1478,2114,2117,2119,2123,2126,2127,2192,2194,2525,3108,3112,3120,3137,3144,3548,3549,3722,3746,3752,3753,3755,3758,3763,3766,3769,3770,3783,3785,4103,4116,4528,4534,4829,4830,4831,4834,4837,4955,5023,5154,5156,5157,5177,5182,5293,5295,5320,5576,5577,5752,5779,6027,6038,6039,6047,6049,6068,6773,6820,6826,6827,6929,7004,7155,7475,7525,7828,8038,8051,9379,9606,9640,9691,9713,9748,9758,9770,10786,10791,10796,11135,11522,11523,12405,12715,12738,12760,12888,13653,13742,13792,13838,13839,13855,13875,13884,14630,14656,14688,14729,14756,14757,14767,14778,14779,14794,14868,14887,14942,14944,14955,14971,15036,15047,15089,15133,15196,15235,15581,15617,15676,15699,15701,15752,15761,15770,16204,16346,19676,19707,20473,22242,22394,23459,23825,24947,25730,27102,27292,29579,29594,29628,30976,31951,32582,32628,32637,32646,32679,35996,37270,37850,37851,37888,39006,39894,40318,43484,43648,43696,43845,46836,48250,48268,49621,49697,49709,50069,50073,50763,51525,54227,54229,54297,54564,54757,54838,56080
+[C:1](-[c:2])-[Br:3]>>[C:1]-[c:2].[Br:3]-[N:10]-1-[C:5](=[O:4])-[C:6]-[C:7]-[C:8]-1=[O:9]	187	1222,1525,1787,1865,1877,1890,1895,3212,3395,5706,5919,6509,6566,6804,7189,7216,7230,8065,8071,8118,8121,8124,8125,8129,8145,8150,8152,8154,8160,8162,8180,8182,8187,8188,8193,8207,8218,8219,8222,8226,8233,8251,8252,8253,8255,8256,8263,8268,8269,8270,8271,8272,8273,8274,8275,8276,8277,8278,8279,8280,8287,8288,8289,8291,8293,8294,8298,8299,8301,8317,8323,8324,8326,8328,8332,8333,8337,8340,8343,8346,8347,8349,8351,8369,8372,8373,8374,8375,8380,8384,8385,8386,8387,8388,8389,8404,8410,8411,8420,8425,8427,8428,8429,8430,8441,8445,8447,8448,8450,8451,8452,8462,8466,8467,8468,8469,8472,8479,8480,8481,8482,8483,8486,8492,8493,8494,8498,8537,8541,8542,8543,8545,8547,8553,8556,8559,8560,8562,8566,8567,8568,8569,8570,8572,8573,8580,8584,8585,8589,8590,8591,8593,8597,8600,8609,8614,8615,8633,8634,8638,8640,8650,8652,8656,8658,8660,8661,8662,8663,8664,8666,8679,8691,8695,8698,8705,8706,8707,8714,8718,8720,8722,8742,8745,8747,8767,8769
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[c:1]-[C:2](=[O:3])-[O:7].[N:4](-[C:5])-[C:6]	183	2770,3105,3111,3117,3143,3363,3571,4504,5064,5087,5310,5311,6277,6288,6498,6499,6580,6633,6983,7567,7631,7656,7678,7794,7814,7900,8048,9463,9746,9747,9775,9776,9778,9779,9781,9782,9790,10972,10974,11175,11176,11229,11317,11450,11451,11518,11519,11521,11799,11976,12278,12728,12758,12767,13010,13019,13033,13062,13135,13279,13425,13538,13542,13705,13725,13726,13729,13733,13762,13814,13890,14064,14065,14359,14661,14663,14703,14723,14741,14759,14768,14926,14932,15091,15101,15122,15148,15194,15230,15238,15297,15543,15549,15550,15565,15586,15616,15668,15669,15674,15704,15709,15711,15720,15734,15738,16207,17318,18678,19529,19644,19648,19680,19705,19709,19732,20189,20784,22071,22182,22398,22786,23628,23630,23687,26433,26647,26725,26788,27085,27104,27105,27397,28793,28876,29385,29605,30936,30994,31146,31963,31964,32365,32472,32570,32580,32581,32616,32624,32630,32645,32685,32686,33307,36833,36870,36871,37385,37397,37437,37439,38786,38787,39746,39798,39877,39883,43227,43700,44303,45251,45252,46114,46804,48314,49147,49716,51077,51355,51967,52141,53786,54898
+[c:1]:[c:2](-[N+:3](=[O:5])-[O-:6]):[c:4]>>[c:1]:[c:2]:[c:4].[N+:3](=[O:5])(-[O-:6])-[O:7]	179	1041,1042,1775,3528,6289,6507,6855,7069,7260,9814,9906,10306,10963,11831,14096,15182,16342,16405,16428,16815,16817,17377,17539,25475,25567,25629,26167,27006,27260,27718,28640,29413,29788,29791,33493,33571,36041,36070,36105,36262,36326,36397,36438,37425,37782,37787,37791,38138,38180,38200,38320,38369,38731,38741,38794,38867,38874,39019,39045,39176,39389,39804,39858,39907,40118,40302,41640,42506,42729,43898,43939,44556,44558,44651,44654,44847,45352,45462,45822,45888,45979,46125,46179,46208,46262,46265,46281,47592,47594,47595,47596,47600,47603,47604,47605,47606,47608,47611,47612,47614,47616,47617,47618,47619,47622,47623,47624,47629,47632,47634,47635,47636,47637,47639,47640,47642,47644,47646,47650,47651,47652,47653,47657,47658,47660,47661,47662,47664,47665,47666,47667,47668,47672,47674,47676,47678,47679,47682,47685,47686,47687,47690,47693,47694,47695,47697,47701,47702,47709,47711,47712,47713,47715,47717,47718,47719,47721,47723,47724,47726,47727,47728,47729,47732,47733,47735,47736,47738,47740,47741,47746,47747,47752,47753,47755,47759,47760,47761,47765
+[C:1](=[O:2])(-[C:3])-[O:4]>>[C:1](=[O:2])(-[C:3])-[O:4]-[C:6](-[C:5])(-[C:7])-[C:8]	177	7330,17429,17520,17522,17647,17718,18008,18023,18024,18028,18029,18031,18032,18040,18047,18050,18053,18055,18057,18081,18189,18215,18220,18221,18222,18228,18229,18242,18246,18250,18253,18256,18258,18259,18267,18268,18269,18270,18274,18278,18288,18289,18294,18296,18298,18299,18302,18303,18309,18312,18313,18315,18317,18318,18320,18323,18325,18327,18328,18335,18338,18339,18341,18343,18345,18346,18347,18349,18354,18356,18359,18360,21509,21511,21520,21523,21525,21527,21529,21530,21533,21534,21537,21538,21539,21541,21550,21551,21553,21568,21573,21586,21587,21590,21593,21597,21602,21603,21604,21613,21617,21618,21620,21627,21629,21631,21632,21636,21637,21643,21644,21646,21647,21648,21650,21653,21654,21660,21662,21664,21667,21668,21671,21675,21676,21678,21680,21682,21687,21689,21692,21693,21695,21697,21701,21702,21704,21705,21706,21710,21712,21713,21714,21715,21717,21721,21722,21725,21732,21733,21737,21744,21746,21753,21760,21763,21764,21767,21776,21777,21778,21781,21783,21786,21788,21789,21792,21793,21794,21796,25652,33778,37405,38143,39237,39313,39360
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4]-[c:5].[C:1]-[C:2](=[O:3])-[O:6]	170	1522,1598,1777,1778,2502,3228,3309,3372,3884,4751,5024,5374,5460,5461,5723,6306,6316,6467,6640,6705,6989,7338,7694,8817,8949,9352,10094,10368,10398,10469,10470,10511,10512,10514,10515,10651,11190,11689,11814,12091,12092,12381,12384,12394,12798,13373,13422,14151,14202,14228,15793,15819,17187,17430,17649,17650,17744,18010,18062,18364,18467,18526,18551,18690,18765,18766,18952,19237,19353,19432,19452,19474,19812,19867,19901,19998,20192,20449,20450,20607,21396,21582,21802,21967,22112,22318,22566,22567,22571,22572,22575,22593,23222,23223,23261,23284,23309,23312,23756,24291,24292,24837,24838,25220,25817,26390,26391,26411,26604,27484,27517,27535,29357,31224,31225,32255,32267,32367,32415,32417,36031,36036,37381,37513,38115,38441,38760,38905,38994,39218,40020,40184,41280,41619,42417,42516,42541,42551,42720,44106,44137,45589,45661,46277,46862,47339,48272,49046,49532,50102,50184,50188,50311,50477,50651,50659,50666,50681,50924,51664,52837,52840,53319,53422,53912,54194,55207,55414,55702,55711
+[C:1]-[N:2](-[C:3])-[c:4](:[c:5]):[c:6]>>[C:1]-[N:2]-[C:3].[c:4](:[c:5])(:[c:6])-[F:7]	168	3107,4519,4529,4532,4542,5303,5353,6933,6934,7012,7288,7307,7381,7649,7654,7710,7751,7763,7769,7770,7771,7772,7799,7801,7806,7823,8885,9088,9358,9595,9602,9756,9783,11087,11094,11095,11099,11105,11116,11118,11121,11696,12507,12691,12702,12752,12757,12777,12778,12785,13669,13673,13685,13689,13696,13697,13699,13700,13711,13712,13714,13719,13737,13738,13740,13784,13803,13844,13903,14671,14678,14708,14712,14714,14837,14877,14907,14925,14958,14959,14994,15003,15010,15023,15028,15043,15057,15061,15065,15067,15077,15093,15096,15102,15104,15107,15117,15124,15125,15528,15601,15605,15639,15646,15650,15660,15664,15675,15677,15678,15715,16192,16194,16201,18562,18891,19635,19647,19650,19654,19666,19668,19679,19685,19702,19718,20354,22849,23620,23648,23653,23656,23657,26794,26795,26796,27049,29557,29588,29596,30005,30861,31915,31973,31978,32281,32361,32362,32364,32569,32620,32648,37713,37827,38348,40358,41617,41663,41664,41677,43235,43860,44871,49034,52431,52435,53656,54823
+[C:1]-[O:2]>>[C:1]-[O:2]-[Si:4](-[C:5])(-[C:6])-[C:8](-[C:3])(-[C:7])-[C:9]	167	17398,17405,18035,18384,18462,18581,18969,19519,21865,22049,24259,24669,24671,24675,24679,24680,24686,24691,24692,24699,24701,24703,24706,24707,24708,24712,24727,24731,24733,24734,24743,24745,24746,24753,24759,24760,24761,24764,24771,24774,24775,24778,24779,24782,24786,24788,24790,24798,24803,24812,24813,24822,24823,24824,24828,24832,24834,24851,24857,24858,24859,24864,24865,24867,24873,24876,24882,24883,24884,24888,24892,24893,24895,24898,24899,24900,24904,24905,24906,24921,24925,24927,24929,24936,24937,24941,24944,24945,24958,24959,24964,24967,24968,24970,24971,24974,24975,24976,24977,24979,24980,24986,24988,24989,24990,24994,24995,24996,24999,25001,25002,25005,25007,25009,25010,25013,25038,25041,25043,25047,25048,25051,25052,25059,25063,25068,25069,25071,25073,25077,25081,25082,25083,25084,25086,25087,25089,25094,25096,25098,25102,25107,25108,25112,25115,25117,25118,25123,25127,25128,25129,25130,25133,25135,25142,25150,25151,25152,25153,25155,25161,25162,25163,25173,25342,34082,38412
+[C:1]-[O:10]-[S:7](-[c:6]:1:[c:5]:[c:4]:[c:3](-[C:2]):[c:12]:[c:11]:1)(=[O:8])=[O:9]>>[C:1]-[O:10].[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6](-[S:7](=[O:8])(=[O:9])-[Cl:13]):[c:11]:[c:12]:1	165	1556,2182,2846,3835,4030,4155,4174,4194,4633,4924,5120,5137,5138,5218,5257,5599,5885,5972,6907,7062,7273,7378,7605,7728,7934,9148,9396,9460,11476,12859,12871,14010,14383,15371,16105,16122,16322,16353,18192,18212,18768,18876,19182,19973,20203,21623,21677,21726,21913,21997,22042,22620,22984,23071,23371,23389,23413,24195,24378,24749,25685,25952,26020,26266,26682,27366,27983,28551,28689,29410,32382,33580,34247,34373,34602,36836,37162,37432,37845,39708,40026,42103,43445,43511,43683,43684,43903,43904,45349,45638,46039,46040,46168,46264,46843,46860,46887,46939,46943,46946,48150,48666,49012,49986,50115,50117,50235,50294,50297,50483,50492,50860,50880,50887,51007,51372,51985,52038,52198,52486,52488,52501,52506,52511,53459,53542,53556,53671,53908,53909,53922,53923,53924,53925,53926,53927,53932,53934,53935,53936,53937,53938,53939,53940,53941,53943,53944,53945,53946,53947,53948,53949,53950,53951,53953,53954,53955,53956,53957,53958,53959,53960,53962,53963,53964
+[N:1](-[C:2])-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]>>[C:3]-[C:4](-[C:5])(-[C:6])-[O:7]-[C:8](=[O:9])-[O:17]-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[N:1]-[C:2]	160	1336,2562,2777,3577,3917,4144,4162,4320,4478,5216,5959,5995,6367,6369,6394,6413,6560,6675,6903,7037,7422,7905,7911,7912,9264,9306,9336,9344,9415,9481,9491,10450,10502,10539,11088,11490,11622,12055,12313,12359,13165,13169,13630,15304,15378,18464,20888,20889,20890,20891,20892,20894,20895,20896,20897,20900,20904,20905,20906,20915,20917,20921,20926,20931,20942,20945,20947,20949,20955,20956,20958,20964,20966,20980,20985,21004,21009,21010,21021,21039,21041,21044,21050,21052,21060,21061,21062,21064,21066,21074,21076,21081,21082,21111,21113,21114,21119,21124,21125,21129,21136,21150,21153,21155,21156,21159,21185,21191,21192,21196,21203,21204,21208,21211,21216,21217,21222,21223,21226,21228,21229,21230,21232,21239,21249,21250,21252,21253,21255,21258,21261,21262,21264,21269,21272,21280,21283,21285,21286,21287,21289,21297,21305,21308,21309,21310,21311,21316,21317,21324,21325,21334,21335,21336,21337,21338,21341,21345,21347,21355
+[c:1]:[c:2](-[Br:3]):[c:4]>>[c:1]:[c:2]:[c:4].[Br:3]-[N:11]-1-[C:6](=[O:5])-[C:7]-[C:8]-[C:9]-1=[O:10]	155	1624,2849,3023,4406,5742,6055,6110,6186,6409,7070,7144,7377,7430,7433,7572,8076,8080,8081,8083,8102,8103,8108,8109,8110,8113,8114,8117,8120,8134,8138,8143,8147,8157,8159,8161,8166,8167,8169,8174,8175,8176,8177,8178,8181,8196,8197,8200,8202,8203,8213,8221,8223,8225,8229,8230,8231,8232,8234,8238,8239,8248,8254,8259,8292,8295,8296,8297,8300,8309,8311,8319,8320,8329,8330,8334,8338,8339,8341,8344,8350,8378,8390,8391,8395,8396,8397,8398,8399,8400,8405,8409,8414,8416,8417,8418,8419,8421,8423,8434,8435,8455,8460,8476,8478,8484,8485,8491,8497,8499,8505,8506,8507,8508,8520,8522,8533,8538,8554,8555,8561,8563,8565,8575,8582,8583,8592,8596,8598,8606,8618,8624,8647,8648,8653,8659,8665,8668,8670,8676,8684,8685,8686,8687,8700,8703,8704,8708,8709,8732,8733,8735,8738,8739,8741,8773
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]-[O:3]	153	1889,5348,5350,5357,5373,5378,5384,6391,6478,7049,10950,11328,13307,13388,13624,14425,18239,18428,19220,20374,20606,20740,21422,21574,21773,23126,23814,24408,25183,25196,25442,26533,26845,27616,27974,29584,29767,29999,34047,34498,34517,34518,36032,36309,36393,38626,38764,38893,38938,38964,39214,39629,40161,42415,42597,42628,42717,42726,43238,43314,43473,44477,45346,45698,45706,45918,45949,45955,45984,46063,46148,46233,46250,46890,47384,48209,48257,48307,48333,48342,48520,48542,48573,48767,48787,49098,49409,49601,49707,49952,50025,50041,50047,50185,50192,50195,50228,50432,50439,50486,50488,50585,50696,50761,50762,50936,50939,51008,51159,51200,51541,51542,51543,51817,52656,53022,53162,53276,53361,53623,53715,53745,53879,54164,54312,54394,54395,54399,54401,54402,54403,54405,54460,54659,54820,55015,55175,55673,55694,55695,55697,55846,55871,55936,55963,56245,56630,56634,56861,57038,57064,57246,57328
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	153	2768,3319,3321,3322,4045,4048,4050,4477,4480,4502,5237,5238,6322,6689,6861,7370,7484,7494,7759,7952,8030,9354,9458,9495,9993,9995,10728,10837,10843,10848,11003,11058,11091,11092,11417,11445,12170,12173,12182,12192,12480,12642,12875,12962,13517,13518,15372,15451,15452,15458,17466,17506,17753,17773,17782,18763,18883,19068,19510,21852,21881,22288,22306,22308,22359,22365,22389,22660,22668,22805,22950,23394,23550,24730,24754,26036,26737,26944,26976,26978,27078,27622,28714,28872,29722,29751,29752,29761,29896,29977,30148,30149,30221,31105,33490,36413,36939,36945,36977,36978,36979,36989,37017,37026,37259,37479,37617,37862,38100,38456,39031,39100,41771,41850,41853,41873,41884,41928,41945,41961,41962,41969,42129,42136,42137,43251,43682,46808,46841,47424,48344,49088,49466,49758,49784,49828,49832,50124,50126,50784,51239,51257,51406,51712,52174,53775,54336,55692,55693,55851,55866,56169,57202
+[O:1]-[C:2]-[c:3]>>[O:1]=[C:2]-[c:3]	151	1081,1500,3030,9556,11351,11367,11377,12957,13202,14091,14209,14218,14615,15927,15991,17433,19735,19892,20844,21467,21735,21926,22942,24987,25067,25184,25208,25226,25423,25435,25716,26086,27344,27611,27682,31333,33400,34352,34451,34468,34509,36053,36205,36369,36387,36389,36798,36913,37768,38454,38476,38754,38756,38839,38904,39150,39201,39417,39703,40078,40156,40320,40350,42086,43254,43264,44614,44628,44629,44636,44644,44655,44673,44698,44716,44717,44738,44739,44742,44743,44745,44770,44795,45280,45883,45974,46121,48430,48433,48436,48439,48446,48447,48448,48449,48465,48466,48474,48475,48477,48572,48983,49040,49149,49338,49421,49600,49684,49736,49957,49961,50465,50596,50833,50896,50964,50994,51103,51687,52035,52310,53090,53184,53198,53515,53649,53797,53888,54116,54120,54121,54144,54145,54146,54147,54148,54152,54154,54389,55017,55071,55074,55293,55887,56563,56602,56645,56746,56786,56788,56888
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2].[C:3](-[c:4])=[O:5]	146	2054,3310,3857,4047,4217,4368,4443,4956,6395,6862,6993,7015,7116,7343,7421,7446,8918,9050,9113,9355,9420,9433,9979,10386,10817,10851,11015,11016,11026,11027,11040,11057,11461,11653,11946,12180,12488,12617,13134,13513,13514,13516,13588,13627,15877,17601,17603,17659,17684,17762,17996,18200,19977,20602,20605,21502,21506,21751,21752,21769,22228,22239,22435,22646,22662,22666,23882,23885,23889,23895,25592,26686,26955,26956,27081,27266,29721,29893,29983,29989,29990,29998,30131,30141,30142,30143,30144,30147,30157,30168,30197,30202,30203,30204,30982,31082,34239,34658,34659,36745,36848,37667,37848,37859,38735,38755,39196,39198,40258,41777,41912,41920,41952,41958,42012,42139,42141,43032,43497,43593,44811,45546,46312,46817,46926,47327,48479,48496,49229,49420,50265,50970,51673,51674,51824,51978,54018,54135,54283,54285,55140,55344,55456,55594,55955,56191
+[c:1](:[c:2]):[n:8]:[c:4](:[c:3])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[c:1](:[c:2]):[n:8]:[c:4](:[c:3])-[Cl:9]	144	3118,3134,3214,3332,3565,5296,5306,5821,6541,7027,7638,7639,7641,7655,7721,7798,7802,7815,7816,8901,9616,9630,9638,9641,9647,9727,9730,10108,10335,10342,10535,10896,11223,11590,12709,12731,12745,12773,12779,12802,12874,13035,13087,13183,13688,13702,13722,13744,13779,14439,14446,14657,14717,14824,14875,14885,14893,14905,14912,14937,14938,14964,14987,15007,15009,15015,15025,15027,15033,15042,15050,15066,15121,15142,15236,15540,15592,15595,15606,15615,15645,15651,15652,15667,15691,15692,15710,15730,15760,16015,16213,18074,19465,19467,19626,19659,19661,19667,19691,20326,21383,23505,23618,23631,23646,23686,23810,25639,27626,27863,28646,28647,29690,30004,30938,31109,32594,32602,32603,32604,32608,32632,32673,34064,34652,34653,34688,36162,36290,36344,36960,37706,38631,38781,40143,41327,41665,41689,43226,45728,48345,48886,48890,55630
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](=[O:3])-[O:6]-[C:5]-[C:4]	143	2919,2929,3842,4052,4090,4728,4740,4747,4748,4750,5471,5477,5545,5604,5621,5922,6659,6958,7741,7933,8865,8952,9096,9158,9269,9289,9309,9314,9568,9882,9896,10044,12283,12414,12862,13164,13442,14742,16006,16389,17256,17622,18217,18813,18956,19417,20813,20852,22075,22114,23221,23661,24209,24429,24954,25658,25711,25862,25983,26165,27777,28631,29186,29392,29737,32518,34015,34503,36265,37133,37134,37135,37926,38049,38075,38439,39082,39205,39301,39307,39805,39806,39816,40017,40375,43355,43371,43838,43926,45305,45348,46230,48281,48291,48317,48657,49160,49910,49955,50292,51370,51431,51461,51866,51974,51981,52194,52437,52448,52510,52566,52643,52705,52803,53368,53433,53449,53860,53863,53904,54255,54525,54899,55004,55246,55398,55474,55687,55896,55958,56038,56083,56091,56095,56135,56268,56400,56586,56720,56881,57084,57119,57124
+[N:1]-[C:2]>>[N:1]-1(-[C:2])-[C:4](=[O:3])-[c:5]:2:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:2-[C:11]-1=[O:12]	143	6799,6813,6814,6815,6816,6817,6818,6828,6830,6831,6832,7195,7197,7201,7202,7203,7237,7238,7239,7241,7242,7243,12987,16392,17458,18016,18461,18985,19052,20345,20394,20411,20440,20644,21508,21999,22039,22705,22886,22905,23834,24344,24377,25719,25886,26061,27036,29341,37154,37561,37642,37672,38062,38683,39557,39754,43580,43792,44518,44519,44520,44521,44522,44523,44524,44525,44526,44527,44529,44547,44549,44550,44551,44552,49924,49925,49929,49932,49933,49935,49937,49938,49941,50062,50076,50077,50078,50079,50081,50082,50083,50084,50085,50086,50087,50088,50090,50092,50093,50094,50095,51362,51363,51364,51365,51366,52016,52036,52166,52688,53360,53403,54225,54777,55743,55744,55745,55747,55748,55749,55750,55751,55752,55753,55754,55757,55758,55766,55771,55773,55774,55775,55776,55809,55810,55811,55812,55836,55876,56121,56131,56139,57086
+[c:1]:[c:2](-[O:3]-[c:4]):[c:5]>>[O:3]-[c:4].[c:1]:[c:2](:[c:5])-[F:6]	140	3261,3426,4657,5130,5131,5728,5730,5732,5924,6314,7034,7389,12008,12015,15913,17121,18340,18503,20076,21659,21743,21939,23430,23983,24271,24296,25690,26132,26199,26879,26902,27478,27654,27953,27964,29418,33296,33306,33365,33501,33541,36077,36098,36142,36200,36220,36221,36345,36428,37065,37776,38136,38139,38452,38453,38510,38546,38668,38712,38793,38827,38901,38902,39020,39147,39175,39626,39949,40340,40343,40356,42380,42477,42481,42622,42696,42834,43272,44639,44671,44736,44794,44806,45286,45580,45595,45702,47350,47364,47381,47797,48074,48085,48086,48088,48258,48315,48388,48389,48640,48675,48831,49054,49065,49066,49173,49278,49403,49441,50323,50362,50672,50918,50988,50989,50990,51020,51047,51049,51469,51472,51634,51635,51636,51753,51814,51815,52719,52911,52925,53674,53916,53917,54127,54128,54129,54130,54132,54134,54822
+[C:1](-[c:2])(=[O:3])-[O:5]-[C:4]>>[C:1](-[c:2])(=[O:3])-[O:6].[C:4]-[O:5]	139	1912,4618,5202,5219,6280,6359,6443,6444,6482,6490,6576,6582,6636,9518,10463,11349,12096,14467,16439,16816,18021,18022,21504,25464,26721,27166,27168,27176,28843,28858,29748,30300,30321,30326,30340,30347,30349,30393,30394,30395,30410,30414,30430,30431,30437,30438,30440,30441,30449,30450,30451,30454,30464,30474,30481,30486,30506,30515,32712,32733,32735,32737,32738,32741,32742,32745,32778,32782,32784,32786,32791,32793,32800,32815,32816,32824,32826,32855,32857,32861,32862,32870,32873,32876,32877,32884,32887,32902,32912,32913,32914,32920,32921,32936,32950,32951,32952,32958,32964,32968,32970,32975,32977,32981,32985,32988,32989,33004,33005,33006,33007,33009,33010,33011,33026,33033,33034,33036,33037,33038,33044,33063,33073,33076,33090,33092,33093,33102,33109,33110,33115,33142,33148,33157,33178,33186,33188,37805,45988
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]>>[C:4](-[c:5])=[O:6].[C:1]-[N:2]-[C:3]	137	3099,4506,4510,5037,5041,5322,7009,7629,7636,7637,7640,7643,7644,7647,7660,7808,7817,9048,9408,9618,9662,9672,9703,9724,9734,9737,9738,9742,9743,9744,9749,10243,11564,12274,12629,12688,12706,12725,12740,12759,12765,12864,12971,13088,13089,13372,13626,13695,13724,13741,13757,13805,13826,13852,13853,13858,13862,14324,14377,14679,14697,14722,14765,14808,14816,14818,14881,14889,14890,14939,14940,14979,15020,15084,15095,15112,15561,15575,15602,15621,15624,15626,15641,15721,15726,18534,18563,18564,18715,18799,19136,19539,19614,19622,19623,19634,19682,19687,19706,19731,20318,20319,20320,20711,23805,24901,27231,27264,28297,29547,29601,30867,32497,32583,32605,32606,32614,36382,36846,37173,37490,37880,38471,39982,40316,41660,44676,44678,44796,51822,53966,54114,54118,54151,54358,55372,56068
+[C:1](-[c:2])-[O:3]>>[C:1](-[c:2])(-[O:3])=[O:4]	134	1902,2144,6341,6351,6370,9108,10489,10719,10926,14635,15168,16079,16396,17700,17735,18237,18521,18544,19224,19264,20562,23457,23770,23991,25425,25524,25666,25713,27389,28656,28979,29515,29586,33303,33310,33343,33460,34488,34515,34569,35929,35993,36034,36050,36084,36148,38438,38513,38721,38742,38744,38955,39039,39628,40174,40292,41354,42487,42596,42692,42724,43313,43584,44187,44291,44869,45938,46002,46017,46018,46253,47810,48204,48242,48243,48334,48404,48408,48629,48632,48764,48788,48835,48849,48971,49028,49114,49126,49155,49169,49248,49393,49394,49560,49630,49664,49771,50019,50023,50045,50220,50330,50371,50379,50590,50967,50984,51028,51037,51041,51073,51307,51352,51470,51473,51491,51630,51701,51736,52012,52048,52598,52668,53023,53627,53792,53919,54766,55363,55878,56675,56865,56869,57040
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5])-[Cl:6]	131	3251,3356,3409,4777,4787,4791,6602,6634,9256,12046,12233,12860,13434,13597,13990,14441,15952,21681,21823,21922,22919,22931,24765,25219,25254,25570,25571,25572,25573,25574,26175,26193,26194,26195,26413,32507,32513,32534,33291,33390,34634,35869,35871,35872,36181,36729,37177,37721,38113,38389,38430,38614,38889,38907,38975,38977,38979,38980,38981,38993,39075,39135,39249,39398,39963,40211,40299,42404,42410,42561,42599,42609,42712,42714,43281,45823,45989,47363,48288,48354,48777,49025,49049,49078,49416,50369,50395,50397,50398,50508,50525,50567,50570,50657,50667,50670,50926,50927,50949,51025,51100,51234,51236,51488,51502,51627,51745,51794,51813,52167,52832,52853,53586,53589,53590,53591,53592,53593,53595,53596,53739,53740,53741,53895,54361,54854,54857,54861,54887,55426,55727
+[N:1]-[C:2]-[C:3]>>[N:1]#[C:2]-[C:3]	130	1499,1503,2200,3855,3877,4182,5006,5007,6410,7746,7919,9525,9945,9963,9992,10140,10384,10385,10387,10476,10675,10686,11470,11954,12321,13192,13209,13256,13311,13562,14074,14098,14099,14100,14177,15382,15383,17154,17160,17605,17698,17877,18068,18396,18430,18580,18719,19416,19746,19954,21577,21806,21879,22465,22602,22873,22894,23177,23348,23386,23500,23507,23531,23794,24886,24966,26028,26128,26130,26726,26833,27733,29114,29352,31090,31906,33590,34578,34692,36231,37925,39758,39947,41297,41311,42850,43886,44845,45163,46037,48352,48485,48566,48766,49256,49581,51180,51321,51374,51931,52150,52171,52177,52387,52436,52450,53208,53479,53683,54161,54523,54719,55016,55135,55504,55634,55676,55679,55802,55972,56078,56085,56160,56441,56776,56809,56816,56912,57117,57156
+[O:1]=[C:2](-[O:3])-[C:4]-[O:5]-[c:6]>>[O:1]=[C:2](-[O:3])-[C:4]-[Br:7].[O:5]-[c:6]	129	653,657,659,660,661,664,665,666,671,673,674,677,678,679,681,682,683,684,686,688,691,692,693,694,695,696,697,698,700,701,702,703,704,705,711,712,1909,2537,2859,5045,5046,6131,6787,11102,12858,14488,16408,16822,17620,18116,18118,18120,18121,18123,18134,18135,18136,18139,18140,18141,18142,18143,18145,18146,18150,18152,18157,18160,18161,19333,20793,22141,25589,25659,26285,26408,26501,26847,26900,27243,27244,27245,27246,27370,28660,29177,29782,30637,30641,30642,30645,30646,30647,30650,30651,30652,30654,30655,30658,30659,30660,30661,30662,30663,30664,30665,30668,30671,30674,30675,30676,30677,30679,30680,30685,30687,30689,30691,30693,30696,30701,30710,30711,30712,30716,30721,30722,30723,30725
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[Cl:6]	129	1333,2227,3132,3136,3139,3965,4054,4170,4296,4297,4317,4348,4353,4357,4521,4522,4535,4537,4666,5055,5224,5294,5957,5958,6032,6036,6045,6269,7064,7098,7267,7375,7713,7719,8828,9453,9597,9648,9649,9650,9656,9660,9715,9751,9773,9794,9972,10350,11143,11170,11525,11871,12588,12671,12687,12716,12744,12769,12793,13025,13675,13686,13754,13789,13812,13842,13846,13883,13885,13911,14670,14672,14673,14700,14705,14706,14716,14731,14735,14753,14764,14796,14817,14960,14972,14975,15031,15041,15116,15118,15175,15186,15187,15195,15219,15548,15618,15643,15731,15758,15766,18946,29558,29559,29562,29563,29564,29566,29590,30283,30822,31977,32622,32650,32665,33570,34273,34391,35882,36477,37956,39005,39233,46302,46303,46845,50125,52274,57255
+[C:1]-[N:2](-[C:3])-[c:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1>>[C:1]-[N:2]-[C:3].[c:4]:1(:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:10]	129	3151,3566,5631,6875,7006,7007,7645,7663,7765,8045,9475,9785,10898,11511,11512,11598,11605,11606,12212,12213,12219,12690,12704,12726,12749,12763,12766,12784,12890,13090,13656,13707,13708,13709,13810,13820,14025,14325,14606,14682,14704,14711,14737,14746,14771,14772,14773,14786,14806,14945,14998,14999,15004,15055,15079,15113,15564,15579,15584,15613,15630,15649,15656,15659,15680,15685,15687,15694,15698,15714,15771,16197,16198,16211,16228,16230,17222,17706,18665,18718,18892,19657,19675,19724,19725,19730,20317,22781,23651,23654,23658,27588,27741,27795,28836,29380,29595,29603,29604,29606,29608,32506,32566,32611,32655,32656,32657,32663,32664,32695,33442,36868,36869,36986,36987,37010,37012,37079,37770,39777,39778,41707,43864,48199,48336,49074,49779,50572,52423
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:1>>[N:5]-[c:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[Cl:9]	127	2900,5059,5814,6272,6326,7200,7491,7503,9061,9401,10081,11109,11145,11370,11745,11840,11841,11842,11953,12202,12205,12806,13528,13958,13959,14000,14048,14221,14238,14330,14352,14471,15796,15911,17181,17898,18434,19429,20721,21457,22387,23612,23866,23985,24124,24755,27064,27079,27133,27146,27321,27480,27932,28568,29479,29512,30009,30010,31219,31917,31946,32495,33976,34506,34513,34754,35932,36354,36789,36934,37007,37031,37059,37511,37557,38458,38953,40198,41620,41683,42383,42496,42507,42557,42606,42612,42616,42617,42618,42645,42647,43063,43304,45355,46108,46109,46110,46207,48741,48839,48840,48841,48842,48843,49194,49356,49386,49464,49829,50275,50660,50669,51304,52836,52914,52915,53788,54748,54868,54871,54873,54874,54915,54922,55056,56005,56734
+[O:1]=[C:2](-[N:3]-[C:4])-[c:5]:[c:6]:[n:7]>>[O:1]=[C:2](-[c:5]:[c:6]:[n:7])-[O:8].[N:3]-[C:4]	126	1905,1916,1917,1930,1938,3066,3070,3443,4982,5824,5825,6483,6485,6535,6688,9033,10217,10269,10440,10508,10818,10891,10941,10988,11562,11626,11629,11631,11632,11940,12320,12468,12479,12618,12925,12948,13061,13473,13955,14049,14271,14465,14584,15449,15466,15803,17767,19378,20208,20236,20413,20538,21547,23146,23328,23727,23888,23946,25729,25818,26007,26624,27652,27653,27775,27778,27779,27780,27781,27782,29759,30139,30175,30209,33978,34282,35924,35999,36066,36434,37741,37874,37875,37988,38098,38394,38436,39283,39476,39593,39594,39951,39952,39993,40187,41769,41820,41837,41841,41943,41953,42009,42468,42521,43041,46113,48259,48260,48959,49151,49152,49204,49274,49484,49768,49769,50129,51161,51314,51628,53535,53711,54686,55790,56051,56277
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2].[c:3](:[c:4])(:[c:5])-[F:6]	126	4605,4611,4684,4719,4733,5203,5289,5321,5368,6000,6719,7445,7838,7915,7962,9147,9373,9498,9818,9905,10716,10916,10917,11096,11432,11788,11948,12211,12504,12521,12523,12524,12594,12621,13175,13567,13957,15376,15431,15828,18792,19164,19183,19184,19189,20854,21824,22188,22608,23208,23557,24773,24878,25919,26479,26491,27100,27157,27167,27177,27312,27791,29320,30248,30495,32298,32299,32301,32749,32774,32776,32783,32785,32795,32802,32854,32864,32874,32875,32886,32904,32940,32948,32957,32959,32969,32978,32979,33018,33019,33021,33024,33028,33035,33160,34724,35047,37141,37898,37905,37909,38563,39361,40267,40323,40346,42091,42381,42514,46858,46884,46954,46978,46992,47001,47813,48190,48676,48829,49031,49554,50607,50689,51933,54133,54137
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[Cl:7].[N:4](-[C:5])-[C:6]	125	624,625,1616,1704,2277,2296,2301,2304,2305,2309,2313,2319,2320,2322,2323,2326,2329,2331,2332,2351,2357,2419,2427,2437,2442,2443,2452,2761,2762,2763,3567,3923,4028,4032,4105,4312,5876,5878,5883,6596,7296,7514,7515,7519,7634,7861,9203,9628,9697,10588,10589,10591,10599,10605,10609,10616,10618,10621,10623,10627,11185,12019,12136,12364,12365,12676,12699,13302,13774,13843,13860,13893,14024,14748,14769,14809,14850,14866,14888,14927,14941,15120,15172,15179,15509,17189,19140,19576,20164,20865,23647,23790,25015,25529,25540,25780,26581,27107,29431,29598,29666,29671,29672,29823,30937,32668,33574,36357,37496,37894,38659,38707,39630,39749,41472,43214,43944,44009,44026,44037,44041,49124,52605,54381,56246
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:4](-[C:3])=[O:5]	123	4038,4180,5420,5805,6006,6064,6742,6785,7278,7485,7613,7825,7842,11992,13051,13139,13310,13966,14005,14105,14592,16121,16123,16310,18391,18478,19874,20001,20814,21575,23167,23485,24696,25966,26169,27418,27567,34028,34029,34271,34347,34375,34519,37137,37145,37835,38550,38822,38941,39125,39156,39242,39551,39684,39783,40071,41571,41591,43030,43060,43062,43446,43476,43514,43795,44043,45376,45565,45569,45983,46045,46886,47818,48332,48660,48996,49142,49759,49773,49792,50310,51201,52343,52376,52579,52585,52654,52655,52657,52681,52793,52804,52973,53324,53331,53362,53695,53878,54010,54264,54409,54444,54445,54449,54451,54459,54461,54474,54475,54476,54891,54937,55083,55393,55935,56221,56327,56842,56900,57185,57236,57352,57369
+[C:1]-[N:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[F:6].[C:1]-[N:2]	120	3051,4219,4321,4363,4381,4429,4442,4447,4575,4745,5247,5250,5253,5367,5547,6152,7758,7762,7866,8850,9006,9343,9496,9497,9932,9934,9935,9936,9937,10214,10215,10251,10852,10986,10987,11001,11033,11035,11037,11038,11045,11267,11618,12154,12171,12178,12422,12425,12426,12484,12646,13137,13230,13508,14008,15453,15457,15461,15464,17759,17776,17777,17787,18748,20839,21639,22231,22235,22255,22643,22644,22650,22651,22653,22941,23891,23893,24286,25902,26741,26950,26959,26960,26963,26967,27271,29725,29982,30173,30182,30183,30184,30201,32251,32279,32332,32336,33387,36106,36399,39670,40009,41760,41761,41830,41838,41864,41867,42008,43341,45256,45257,45258,48499,49531,49613,51034,51096,51097,52980
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]=[O:6]	119	2022,2025,2032,2038,2041,2044,2046,3688,3856,3938,4237,5738,6086,6087,6859,7038,7524,7626,7635,7650,7707,7714,8915,9322,9323,9593,9617,9714,9753,9786,9941,10045,10125,10542,10747,10749,10750,10753,10759,10760,10761,10923,11130,12305,12404,12737,12776,12933,13168,13274,13428,13661,13823,13840,13847,13859,13877,14761,14763,14780,14784,14797,14798,14807,14898,14977,14980,14981,14982,15135,15185,15193,15202,15234,15410,15977,16209,17412,17414,18475,18929,19641,19694,19698,20321,21858,21859,22393,23193,23912,25303,25314,25634,25808,25867,25910,26548,26556,26673,29806,30008,32647,32676,33452,33588,37470,37685,37746,38103,39416,41686,43862,44591,45284,46165,50006,50276,50874,54737
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:13](-[O:4]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)=[O:12]	118	7276,9836,9838,9840,9885,9886,11230,11960,12116,13405,13452,13497,13520,13552,13558,13609,13628,13934,13988,13989,15826,17828,18348,18370,18473,19040,19605,20163,20166,20182,20221,20421,20489,20506,20749,21414,21840,21853,22180,22728,23038,23195,23608,23609,23610,23667,24309,24356,24781,24785,25663,27842,28298,34063,34075,34587,37878,38737,39981,43435,45327,46011,46223,46286,49372,49926,52485,52487,52489,52491,52495,52497,52499,52502,52503,52504,52508,52509,52513,52519,52521,52522,52567,52568,52570,52573,52575,52576,52578,52580,52581,52583,52981,52983,53201,53280,53782,54208,55865,56022,56175,56421,56425,56428,56429,56480,56482,56487,56488,56489,56490,56491,56492,56493,56500,56503,56504,57142
+[c:1]:[c:3](:[c:2])-[Br:4]>>[Br:4]-[Br:5].[c:1]:[c:3]:[c:2]	116	125,129,131,137,143,150,151,154,156,163,166,169,172,173,178,179,180,182,185,186,187,188,193,198,199,200,202,205,206,207,208,209,210,211,212,215,216,222,229,230,235,236,237,241,243,253,255,257,270,271,272,273,274,275,277,278,290,291,292,295,296,302,304,305,308,310,313,315,316,317,319,322,323,324,326,327,333,334,335,341,348,349,352,353,354,355,367,372,373,388,389,390,391,397,398,400,401,403,407,415,416,417,418,419,422,424,429,430,434,435,440,445,446,447,459,463
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5]:[c:6]:1)-[Cl:7]>>[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5]:[c:6]:1)-[O:12].[Cl:7]-[P:9](=[O:8])(-[Cl:10])-[Cl:11]	116	1054,4904,6031,9912,9914,11217,11219,11275,11412,11851,12662,12663,12877,15867,15939,25718,25725,25727,27604,27641,27728,27792,28835,29449,34297,34298,34330,34388,34639,34640,35142,35143,35184,35194,35199,35200,35203,35207,35210,35211,35217,35221,35222,35223,35236,35239,35240,35250,35254,35265,35266,35267,35268,35278,35281,35283,35285,35289,35292,35293,35294,35295,35297,35299,35305,35308,35309,35317,35322,35326,35327,35335,35341,35342,35343,35344,35345,35353,35370,35371,35372,35381,35409,35412,35415,35422,35424,35426,35434,35444,35448,35453,35459,35464,35466,35471,35473,35475,35486,35488,35493,35494,35495,35496,35503,35508,35509,35513,35519,35520,35526,35527,35529,35530,35532,35534
+[c:1]-[O:2]-[C:3]>>[c:1]-[O:2].[C:3]-[I:4]	115	4113,4168,4650,5430,6109,6168,7950,10361,11452,11832,11983,12350,16819,24257,25363,25412,25418,25443,25466,25710,26477,26506,27011,27595,27609,27751,28891,28895,29416,29423,29863,31369,31370,31379,31380,31383,31398,31413,31423,31432,31452,31499,31501,31502,31512,31513,31514,31515,31516,31517,31519,31520,31542,31558,31559,31566,31570,31579,31587,31589,31590,31592,31593,31596,31604,31605,31608,31614,31620,31623,31625,31627,31633,31634,31636,31646,31661,31663,31673,31676,31681,31682,31686,31688,31689,31690,31691,31692,31695,31701,31711,31722,31724,31727,31728,31732,31749,31759,31773,31784,31789,31796,31836,31838,31840,31844,31845,31846,31847,31850,31855,31859,31869,31871,31878
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:3](=[O:4])(-[O:5])-[Cl:7].[C:1]-[N:2]-[C:6]	114	1791,1793,1796,1797,1798,1802,1803,1805,1807,1808,1809,1810,1814,1829,1832,1854,1855,1859,1860,3873,3958,4514,5033,6910,6999,7005,7008,7363,7658,7711,7855,7886,7948,8019,9086,9087,9338,9357,9464,9631,9645,9740,9763,10077,10337,13038,13524,13778,13833,14751,14793,14849,14882,14986,15214,15225,15231,15233,15240,15247,15327,16191,16219,16226,16361,16379,17527,18214,18663,19611,19619,19711,19733,19891,20006,20466,21672,21890,22002,23241,23276,24960,27251,29591,29796,29912,30784,30792,30806,30808,33892,37266,37979,38038,38637,39422,39424,41685,41688,43054,45283,45402,49312,49432,51697,51698,52551,52552,52557,52561,54052,54211,54794,54918
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5])-[O:6]	114	5638,5939,6229,6267,6376,6377,6435,7844,10074,10383,10645,10905,11076,11201,11374,11800,11864,12218,14077,14145,14223,14445,14629,15813,15870,16000,17192,19213,19306,19524,19547,20588,21779,23098,23982,24041,24152,24153,24290,24341,25024,25469,25615,25624,25857,26135,26136,26138,28338,28708,29459,29494,29495,31233,32348,35934,36088,36531,36952,37050,37178,37792,37843,38114,38480,38572,38743,38765,39041,39220,39622,42399,42402,42403,42406,42543,42660,42674,42675,42679,42709,42710,42715,43318,45324,45619,45985,45986,46582,48200,48261,48320,48634,48635,48636,48637,48908,49022,49042,49043,49044,49153,49541,50100,50376,50836,50844,52288,53628,53784,54859,54862,54863,54875
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[Cl:6].[N:4]-[C:5]	113	1354,1601,1613,1614,2110,2279,2280,2284,2298,2299,2307,2308,2312,2324,2360,2361,2369,2381,2391,2406,2407,2409,2411,2416,2430,2439,2440,2441,3219,3895,3922,3929,3953,4091,4106,4221,4314,4404,4407,4483,4686,5550,5551,5882,7841,8018,9307,9347,9539,10050,10051,10493,10630,12086,12087,12362,13160,13437,16103,16279,16391,17328,17335,17337,17338,17339,17346,17353,17360,17596,21397,22319,22443,24467,25111,25975,26447,26449,26451,26530,26579,29659,29675,29677,29681,29686,30135,33446,33449,33556,33558,36744,36746,37868,38674,42133,43946,43953,43957,43967,43984,44001,44002,44003,44014,44015,44017,44024,44025,44036,44039,44040,51730
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6]>>[N:5]-[c:6].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	112	0,3239,6161,6922,7465,12258,13141,13493,14044,14187,14617,14618,16344,18623,19765,22963,23943,24345,25646,25647,25778,26187,27402,27794,28439,28641,29442,30249,33937,34584,34704,34813,36092,36093,36094,36095,36209,36212,36348,37253,37527,38146,38916,39181,39513,40263,40387,40388,42429,42464,42482,42483,42484,42498,42586,42654,42702,42705,42734,42736,43852,45179,45451,45453,45475,45477,45484,45487,45490,45493,45498,45501,45505,45506,45893,45894,45895,45928,45935,45991,45992,46023,46024,46078,46155,46157,46158,46159,46202,46209,48164,48533,48701,49024,49026,50443,50598,50668,50675,53544,53913,53921,53931,53933,54045,54293,54628,54851,54951,55406,55409,55586
+[C:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:8].[C:1]-[N:2]	112	1932,2912,3268,4455,4582,4968,4970,4981,5713,6398,6536,6540,6679,6685,9414,9426,9874,10222,11052,11069,11338,11339,11408,12172,12455,12456,12476,12610,12878,12879,13235,13515,14287,15441,15443,17757,17907,18605,18895,20056,20174,22061,22098,22146,22226,22227,22229,22233,22655,22697,23415,23549,23551,23683,25899,25994,26946,27435,29750,29841,30145,30178,30179,30200,30219,31106,32328,32461,32532,34651,36240,37047,37389,37752,37753,37861,37866,38326,39836,40610,40611,41766,41822,41823,41829,41861,41880,41885,41894,41940,42109,42121,42122,42125,43388,44288,48335,48506,48557,48577,48620,48889,49201,50211,51128,51606,52611,54333,54334,54335,54338,55631
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[C:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:7]	111	1251,1737,2938,3853,4293,4743,4936,4952,6682,6715,9207,9416,10341,10990,11011,11028,11029,11030,11637,11942,12179,12184,12471,12472,12473,12474,13206,14624,16087,17685,17751,17764,18036,18199,18263,18264,18742,18770,19487,20378,20497,21500,21740,21741,21774,22232,22647,22663,23883,23887,25645,26042,26744,26958,27680,27984,28573,29698,30160,30161,30162,30167,30989,32325,34511,36436,36437,37943,38144,38145,39130,39979,41793,41794,41795,41796,41802,41805,41806,41808,41827,41863,41933,42004,42108,42132,42142,42143,43033,43508,45468,45478,45479,45480,45481,45485,45486,45494,45908,45909,46077,46144,46156,48512,48565,48779,50943,52584,53546,53822,53929
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Cl:5].[c:1]-[O:2]	110	3059,3060,3061,3062,3063,3064,3065,3369,4156,4302,4345,4349,4352,4354,4358,4360,4366,4627,4822,4885,5212,5215,5226,5228,5794,5966,6136,6463,6998,8781,10133,10324,10829,11169,11272,11834,11835,12567,12601,12603,12922,12923,12924,12938,12940,12942,12943,12944,13242,13244,14369,14370,14371,14394,14396,14398,14399,14400,14485,16157,20723,21665,23871,24092,24394,25892,26983,28721,29318,29784,30978,31334,31941,32284,32285,32287,32288,32289,32290,32310,32316,32317,32318,32319,32320,32464,33399,34497,35052,36218,40229,40230,41600,43499,43663,43665,43666,43667,43668,43669,43670,43671,43672,43673,43674,43676,46852,50536,51729,52852
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9].[c:1]-[N:2]	108	3320,6033,7492,9822,9827,9868,9911,10353,11660,12640,13394,13489,14114,15853,15874,15970,16125,17688,18436,19101,20746,20790,20797,20820,21448,21449,21450,21928,24123,24211,25622,25623,27093,27134,27470,27471,27603,27723,29516,33456,34524,34753,36811,36935,36937,36938,36942,36943,36944,36982,36985,36990,36991,36992,36993,37003,38638,39044,39518,39662,39776,39911,40124,42400,42405,42437,42613,42686,42695,43543,43544,43577,43887,48361,48543,48708,48864,48865,48866,49089,49090,49483,49633,49776,49780,49781,49782,49783,50114,50140,50201,50205,50656,50676,50690,50691,50697,50776,51567,51658,52067,52850,52985,54869,55059,55708,56814,57165
+[O:1]-[C:2](-[C:3])-[c:4]>>[O:1]=[C:2](-[C:3])-[c:4]	107	2822,3076,3298,7041,10354,10363,12510,12555,12906,12973,13290,13293,14076,14084,14251,14274,16038,16387,18697,18737,18773,18774,19917,19931,22579,22580,25103,25145,26511,27361,27960,28717,28854,29422,29454,29868,31905,32403,34567,36005,36128,38281,38791,39094,39134,39270,39362,39415,41242,41702,42822,43249,43586,44546,46034,46042,47845,48093,48563,48815,48853,49096,49189,49642,50187,50566,50573,50764,50812,51056,51112,52003,52004,52017,52293,52459,52746,53210,53572,53573,53717,53719,53762,53898,54218,54226,54289,54708,54764,54774,55030,55222,55390,55995,56037,56166,56206,56346,56663,56755,56770,56771,56834,56873,56891,56894,57304
+[C:1]#[C:2]>>[C:1](#[C:2])-[Si:4](-[C:3])(-[C:5])-[C:6]	107	18326,23252,27967,33735,33736,33737,33738,33739,33740,33742,33743,33744,33745,33746,33747,33748,33749,33750,33751,33752,33753,33754,33755,33756,33757,33758,33759,33760,33761,33762,33763,33764,33765,33766,33767,33768,33769,33770,33771,33772,33773,33774,33776,33777,33779,33780,33781,33782,33783,33784,33785,33786,33788,33789,33790,33791,33792,33793,33795,33796,33797,33798,33799,33800,33801,33802,33803,33804,33805,33806,33807,33808,33809,33810,33811,33812,33813,33814,33815,33817,33818,33819,33820,33822,33823,33824,33825,33827,33828,33830,33831,33832,33833,33834,33835,33836,33838,33839,33840,33841,33842,33843,33844,33846,33992,34085,38870
+[C:1]-[O:2]-[C:3]>>[O:2]-[C:3].[C:1]-[I:4]	106	2178,2950,3940,7043,7394,8875,9089,9536,9817,10013,10240,11310,11446,11482,11501,11502,11542,11648,14175,14179,14571,15314,16319,17480,17566,18578,18594,18995,19024,19355,19736,19758,20385,21821,22001,22260,22271,22275,22323,22342,22485,22767,23035,23594,23700,24373,24747,24846,24940,25156,25176,26160,27880,31353,31362,31366,31367,31405,31454,31457,31503,31505,31545,31557,31572,31576,31577,31580,31581,31597,31641,31655,31656,31672,31674,31693,31735,31737,31738,31742,31743,31747,31748,31772,31775,31783,31791,31792,31793,31799,31801,31807,31813,31815,31823,31824,31825,31826,31833,31834,31837,31848,31853,31862,31863,31864
+[c:1]:[c:2](-[N+:3](=[O:5])-[O-:6]):[c:4]>>[c:1]:[c:2]:[c:4].[N+:3](-[O:5])(-[O-:6])=[O:7]	105	1864,6412,6854,7045,8806,9055,9101,9926,11543,11828,11984,12304,12869,15937,16427,17641,19766,20754,23091,25329,25371,25373,25383,25482,25537,25543,25675,25688,25858,25950,27461,28543,28829,28848,29390,29426,29521,29522,29766,29790,30268,33329,34428,34589,35931,36362,37237,37498,37517,37526,37726,38558,38747,40040,40389,43369,43896,44660,44664,44706,45892,46527,47597,47599,47601,47620,47628,47630,47631,47633,47641,47645,47648,47649,47655,47656,47659,47663,47669,47671,47677,47680,47681,47688,47689,47692,47696,47699,47700,47704,47705,47706,47714,47716,47720,47730,47731,47734,47739,47749,47751,47754,47756,47757,47766
+[N:1]-[c:2]>>[N:1](-[c:2])-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]	103	8011,18344,20656,20662,20664,20666,20667,20668,20670,20671,20672,20684,20685,20687,20693,20695,20697,20707,20710,20712,20717,20719,20722,20724,20725,20731,20737,20741,20742,20750,20751,20756,20758,20759,20771,20772,20774,20776,20778,20783,20785,20786,20794,20802,20816,20817,20822,20823,20830,24048,24051,24054,24056,24058,24059,24073,24085,24091,24094,24099,24101,24103,24106,24109,24110,24112,24117,24121,24122,24125,24126,24127,24129,24137,24138,24143,24144,24146,24148,24150,24159,24160,24161,24164,24169,24170,24171,24174,24175,24176,24178,24182,24185,24187,24189,24192,24196,24198,25410,28331,38525,38533,39123
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[c:3](:[c:4])(:[c:5])-[Br:7].[C:1]-[N:2]-[C:6]	100	1103,1104,1105,1106,1134,2566,2921,3290,3538,5737,6932,7024,7286,7287,7459,9626,9784,9982,10381,10382,11514,12753,13238,13657,13666,13713,13723,13869,14317,14358,14665,14718,14754,14760,14799,14800,14814,14989,14996,15037,15060,15075,15082,15099,15106,15108,15109,15126,15157,15173,15174,15245,15546,15576,15580,15662,15666,15672,15686,15690,15722,15744,15759,15805,16422,16429,16432,17642,18664,18713,19464,19515,19629,19660,19684,19686,19688,19722,20733,20734,20735,21436,22927,24791,24894,27047,27092,29387,29592,31952,36282,37392,38119,38706,38738,40175,43858,48773,51913,52330
+[c:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[c:1]-[N:2].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:7]	99	2206,2210,3037,3213,5446,5643,7120,7282,7882,9100,9843,10962,11241,11242,11244,11312,11359,11360,11409,11422,13318,14155,14232,14595,16474,17591,18516,19251,19293,19541,23984,25304,25605,25608,25744,27464,28601,28946,32392,32535,37247,37730,38532,42439,42441,42537,42549,42614,42664,42676,44281,44880,44898,44929,44936,44937,44938,44946,44947,44959,44962,44965,44977,44986,44989,44995,44996,45001,45012,45013,45016,45024,45052,45055,45059,45060,45061,45062,45083,45085,45089,45092,45093,45121,45128,45129,45130,45132,45331,45332,45335,45338,45340,45372,45424,45427,45428,45429,45578
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:8].[C:1]-[N:2]	97	1173,2527,3068,3420,4369,4397,4457,4471,5945,6098,6361,6698,6718,7454,7869,7893,7930,7959,8851,8868,8869,9984,10107,10267,10411,10802,10804,10819,10841,10934,11012,11022,11298,11299,11379,11396,12424,12584,13001,13458,13507,13509,13511,13512,14408,15460,15494,16135,16326,17502,17507,17775,17779,19051,19066,21626,21765,21970,22667,22904,24907,25385,25895,25904,25907,25988,26004,26209,26736,30985,32488,35982,35983,37398,37998,40004,40300,41886,41946,41960,41966,42011,42096,45552,45722,46213,46228,48508,49275,49765,49950,51743,52572,53395,54337,55629,55707
+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[C:1](=[O:2])(-[c:3])-[O:8].[Cl:4]-[S:6](=[O:5])-[Cl:7]	97	1781,4092,6352,6437,6806,7976,8936,11823,12230,14543,16067,25148,25333,25468,27017,28755,31336,33481,34413,35539,35550,35554,35559,35560,35563,35570,35572,35581,35587,35588,35589,35592,35594,35595,35608,35609,35611,35612,35614,35615,35620,35626,35628,35640,35642,35643,35644,35648,35650,35653,35655,35662,35663,35665,35667,35668,35669,35680,35683,35686,35688,35689,35690,35691,35693,35697,35701,35710,35723,35724,35727,35732,35738,35749,35752,35753,35754,35755,35758,35759,35760,35761,35763,35766,35769,35773,35787,35797,35801,35804,35816,35822,35823,35829,35833,35839,35850
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2](=[O:4])-[O:5].[N:3]	93	2815,4629,6378,6976,7304,7480,7590,7898,9262,10194,10455,10532,11082,17124,17368,17513,17518,17696,17702,18069,18549,18587,18627,18745,18989,19198,19288,19381,19858,19905,19959,20041,20048,20253,20745,22083,23226,23270,23304,23426,23455,23458,23467,23529,23735,23816,23975,24374,25737,25845,25896,25915,28661,32437,33530,36499,36843,37715,37745,37764,38006,39037,39493,40166,40661,40754,40756,40768,40769,40770,40780,40815,40832,40835,40836,40837,40838,40847,40873,40879,40885,40888,40889,40902,40903,40909,40913,40916,40927,40936,40947,40959,41004
+[N:1]-[C:2]-[C:3](=[O:4])-[N:5]>>[N:1](-[C:2]-[C:3](=[O:4])-[N:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	93	7983,12356,17310,17444,17453,17515,19844,19845,19850,19853,19855,19859,19861,19862,19863,19864,19879,19882,19883,19884,19893,19907,19919,19923,19926,19928,19963,20015,20030,20031,20042,20058,20064,20065,20088,20090,20096,20100,20145,20146,20168,20169,20287,20370,20371,20398,20399,20401,21600,23184,23189,23190,23192,23197,23198,23200,23246,23247,23248,23249,23250,23272,23301,23339,23340,23365,23421,23423,23425,23437,23441,23442,23452,23470,23501,23502,23516,23523,23524,23525,23542,23554,23561,23584,23709,23726,23728,23729,23730,23734,23736,37879,56145
+[C:1]-[C:2](-[N:3](-[C:4])-[C:5])-[C:6]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2](-[C:6])=[O:7]	92	3205,3869,5040,5147,7023,7586,7587,7820,9168,9169,9173,9378,9465,9549,9559,9637,9704,9762,9796,9845,10157,10159,10177,10179,10182,10874,11549,11572,11670,11673,11904,11905,11906,11907,11908,11909,11916,11917,11918,11919,11920,11921,11922,11924,11925,11926,11927,12285,12346,12672,12735,12774,13345,13348,13357,13358,13651,13747,13765,13771,13809,13856,14459,14736,14770,14783,14865,14931,14935,14947,15094,15098,15620,15633,16131,16329,16330,16331,16333,16334,16335,19674,22371,22531,26340,27050,32575,38716,44323,49879,52290,54789
+[C:1](-[C:2])(-[C:3])=[O:4]>>[C:1](-[C:2])(-[C:3])-[O:4]	92	3556,7487,7612,8020,9280,9364,9384,9450,9484,9488,9959,10083,10116,10121,12117,12302,13572,13578,13584,15361,17230,17240,17567,17613,18749,18963,19890,20067,20097,21615,21950,22045,22289,22379,22768,22846,23520,23832,24038,24739,24932,25323,26026,26048,26125,26499,26680,27463,27465,27524,28546,28695,29532,29548,33887,34444,37403,37796,38148,39160,40182,40185,43718,44223,48293,48514,49619,50153,50242,51976,52073,52312,52375,52590,53372,53694,53854,54365,54372,54411,54538,55420,55944,56070,56243,56249,56494,56499,56505,56547,56932,57035
+[C:1]-[C:2](-[N:3]-[C:5])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:6].[N:3]-[C:5]	91	3207,4489,4572,5080,6048,6468,6911,6913,7055,7365,7452,7753,8880,9177,9311,9315,9382,9386,9389,9490,9878,9956,9994,10087,10113,10120,10163,10164,10165,10167,10983,10984,10985,11664,11665,11666,11667,11668,11914,11997,12333,12338,12339,12340,12342,12947,13343,13344,13360,13366,16327,17805,18703,18887,18962,22501,22513,22525,22751,22801,23894,26306,26318,26324,26326,26336,26343,26346,26347,26617,28699,28884,29967,30155,30190,30215,33305,33426,33427,36288,36732,37225,37226,41768,41774,41840,43803,43828,45169,45170,53693
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:3]	91	3580,3880,5726,5733,5787,5812,6002,7300,7745,7941,9106,9376,9816,10010,10410,12665,14269,14450,14633,16080,16500,17699,18608,18861,18940,19786,19825,20234,20594,21984,23381,24386,24767,26280,26492,26862,27826,27828,27829,28655,34019,34190,34573,35868,36253,38171,38971,39170,39285,39312,39652,40138,40171,43232,43240,43519,43520,43710,45250,45633,46231,46279,48264,49267,49462,49495,49772,49850,50026,50039,50521,51324,51516,51676,51868,52112,53026,53264,53690,54301,54457,54900,55430,55653,55664,56223,56519,56817,56821,56945,57104
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:8].[c:1]:[c:2](:[c:7])-[B:10](-[O:9])-[O:11]	90	1044,1092,1095,1148,1149,1154,1202,5223,7313,7314,10412,10967,11221,11274,11436,11798,12882,13369,13977,15847,16148,19145,19246,19317,22964,24219,26178,26179,26837,27746,27823,28834,29347,29498,29733,31338,37450,37919,38065,38924,39120,39377,39385,39608,39933,40167,41694,42373,42374,42376,42379,42491,42796,43785,43787,44199,45147,45377,45727,46414,46428,46453,46475,46515,46520,46532,46535,46545,46550,46552,46611,46619,46657,46683,46685,46723,46731,48528,49445,49574,51249,51399,51898,51904,53410,53413,53416,53420,53421,53610
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N:4]-[c:5]	90	1823,1837,1840,1845,1853,1857,3870,3876,5375,5421,6550,6641,7696,8058,10402,11858,11862,12224,15940,16054,16100,17820,19278,19287,22337,22595,23112,25061,25391,26817,26819,27253,27255,27256,27257,28414,30011,30012,30278,30774,30776,30777,30781,30786,30791,30794,30795,30796,30797,30798,30799,30819,34856,41575,42420,42499,42545,42580,42650,43055,43113,43237,45547,46931,47356,48219,48985,49051,49486,49878,50516,50552,50654,50872,51504,52555,52556,52558,52560,53020,53272,53289,54366,54852,55197,55366,56619,56952,56955,56956
+[c:1]:[c:2]:[n:3]:[c:4](-[O:5]-[C:6]):[c:7]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[Cl:8].[O:5]-[C:6]	90	1928,4177,4598,4600,4601,5143,5193,5278,5316,5944,6106,8035,9031,9073,9404,10102,10278,10288,10908,10914,10915,10918,11790,12528,13566,14090,14509,14900,15968,19025,19165,19173,20575,22245,27039,30267,30313,30325,30343,30446,30469,30490,31240,31241,31310,31311,32378,32381,32724,32748,32759,32798,32822,32848,32893,32926,32929,32931,32933,32937,32991,32995,32996,33012,33039,33042,33055,33105,36215,36780,36781,37899,37902,37903,37906,42575,43509,43729,46994,46999,47003,51861,52212,52303,52474,53794,54638,54671,54683,57200
+[C:1]-[N:2](-[C:3])-[S:4](=[O:5])(=[O:6])-[c:7]>>[C:1]-[N:2]-[C:3].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:8]	90	3126,3148,4732,4967,5735,6834,6920,6921,7013,7026,7812,7966,8034,9581,9600,9607,9653,9698,9708,9983,11180,11526,11556,11949,12721,13065,13690,13694,14719,14743,14788,14854,15076,15132,15229,15351,15631,15632,15636,15638,15640,15642,19638,19652,19653,19655,19713,20323,20325,21738,21754,21770,21911,22384,23622,23999,24962,25648,26261,26590,26603,26642,26799,26800,27094,27103,29576,32465,32591,32592,32593,32601,32666,32669,32700,32702,33227,36726,37981,38766,38915,38969,39336,39523,45351,45483,50246,53561,54712,55177
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5])-[Cl:6]	90	3659,3789,4147,4324,4364,4461,4501,4588,4774,5241,5552,6662,7455,7768,8894,9265,9349,10196,10745,10850,12387,12988,13234,13553,14007,14357,16017,17778,18827,19488,20515,21951,22154,22315,22438,22758,23082,26029,30136,30185,30198,30210,30212,31914,33559,34021,34481,35870,36281,36320,37383,37434,37435,37867,38086,38390,38888,38900,38982,39396,39397,39399,41428,41854,41871,41872,41905,41906,43427,45162,46247,46950,48286,48287,48498,48509,48756,49507,50467,51322,51489,52080,53528,53599,53600,53754,53821,55127,56041,56044
+[c:1]:[c:2](-[C:3](=[O:4])-[C:5]):[c:6]>>[C:3](=[O:4])(-[C:5])-[Cl:7].[c:1]:[c:2]:[c:6]	89	627,1698,1719,2273,2288,2292,2302,2311,2343,2383,2389,2392,2421,2434,2446,3831,3927,3928,4082,4304,4305,4313,4762,4765,4768,5571,6459,6791,7072,7073,7447,7516,9850,12368,12370,12371,12407,12408,13404,16084,17625,25687,26276,26455,26583,28768,29429,29434,29470,29473,29509,29607,29664,29665,29668,29674,29684,29826,33339,33524,33538,35877,36042,36180,36454,37492,37515,37529,37531,43256,43947,43948,43951,43959,43968,43969,43976,43979,43988,43990,43993,44000,44023,44029,51757,52219,52221,52222,52827
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](=[O:3])-[O:5]-[C:4]	87	2790,3563,3885,7393,7906,7910,7913,7914,10132,10474,11485,11642,12038,12556,13262,15309,15312,16059,17235,18828,18954,18955,19908,19966,20075,20215,21583,21799,21966,22113,22431,22464,22468,23431,24926,25630,25947,26268,26679,26683,27363,33328,34372,36376,36731,37757,38029,38386,40190,41344,43037,43938,45178,47337,48135,48280,48785,48868,49398,49617,50531,50933,51166,51373,51973,51998,52134,52390,52706,52873,53078,53085,53348,53483,54016,54199,54253,54455,55761,56149,56174,56329,56485,56523,56584,56960,57362
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:9]	87	3202,4405,4491,4592,4964,4969,4974,4977,5020,5240,5255,6673,7894,9225,9308,9400,9423,9489,9835,10816,10902,11075,11147,11268,11340,11341,11614,12174,12945,13229,13547,14417,14562,17758,18255,18261,18790,19064,19069,19421,21514,21565,21566,22144,22147,22636,22907,23591,25779,25985,26971,27433,27434,27804,28693,29760,29894,29975,30990,32280,32330,33240,34198,34654,37008,39844,39845,40043,41763,41902,41932,41959,41965,42088,42090,42134,45630,45642,48197,48541,52456,53294,54284,54400,54416,56281,57141
+[C:1](-[C:2])(-[C:3])=[O:4]>>[C:1]-1(-[C:2])(-[C:3])-[O:4]-[C:6]-[C:5]-[O:7]-1	87	9149,9151,9153,9155,9156,9157,9159,9160,9162,11488,11497,11504,11505,11506,11545,11561,11563,11565,11566,11567,13312,13315,13317,14288,15264,15272,15313,15315,15317,15320,15322,15325,15331,15332,15341,15345,15346,15348,15349,15355,15356,17281,21381,21870,27129,34467,37204,38633,39573,39789,43789,43800,43802,43808,43814,43815,43816,43819,43839,43840,43841,43842,43844,43847,43848,43849,43851,43854,43855,43856,43866,43867,45703,52185,52248,52291,53363,53453,54060,54220,54288,54745,54747,54905,56179,56448,56589
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](=[O:3])-[O:5]-[C:4]	84	1899,3517,5009,6291,11276,11649,13250,13308,14427,19448,20600,22446,24710,25040,25120,25248,25403,27854,28586,28838,28849,29997,33287,34337,34472,34570,35995,36108,38506,39213,39276,39277,39702,42432,42479,43114,45347,45684,45714,48189,48210,48273,48556,48802,49101,49247,49251,49252,49261,49339,49871,50043,50044,50139,50193,50418,50481,50710,50726,50977,51358,51444,51601,51706,51882,52442,52686,53047,53084,53321,53638,53641,53770,53809,55850,55870,55956,56481,56727,57148,57198,57259,57260,57284
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[c:3](:[c:4])(:[c:5])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16]	84	5926,10110,10118,10648,10677,10707,10727,10875,10880,10881,13619,14055,14572,21768,24034,24228,25209,25912,27149,27233,27236,27963,28315,28318,28327,28342,28351,28363,28368,28369,28374,28390,28402,28403,28412,28413,28430,28432,28435,28442,28448,28449,28450,28462,28468,28475,28962,28966,28967,28968,28969,28990,28996,29018,29019,29054,29056,29076,29086,29087,29113,29117,29121,29122,29123,29124,29125,29126,29127,29128,29129,29130,29143,29147,29152,29153,29172,29185,29188,29190,29195,29212,29226,29240
+[C:1]-[C:2](-[O:3])-[C:4]>>[C:1]-[C:2](=[O:3])-[C:4]	81	3407,4020,5454,7493,7582,7904,7909,8821,8844,9146,9170,9190,9193,9277,9284,9285,9337,9566,10552,10883,10959,11458,13365,13398,14101,16369,16805,17279,17313,17321,17322,17473,17486,20057,20207,20217,20359,20869,21380,22084,22353,22425,22429,22553,23178,23775,24681,26162,28686,28741,29655,33429,34990,43036,43823,44452,47790,49325,49757,49877,49919,50577,51292,51408,51972,52266,53014,53751,54067,54070,54175,54186,54902,55040,55153,55218,56205,56208,56348,56354,57373
+[O:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N:4]-[C:5]	80	1792,1812,1813,1815,1816,1825,1831,1833,1835,1836,1843,1844,1847,1852,1861,1866,3744,3918,4146,4958,5248,5251,6279,8846,8892,9208,9345,9500,10803,11062,11624,13059,13170,15337,17128,17717,18673,20091,22432,22434,22437,22481,23211,23366,23368,25926,26423,26689,27785,29728,30802,30809,30811,30814,30821,39681,41954,42001,42010,42081,42123,43052,43923,44863,45393,49854,49884,50344,51754,51830,52553,52554,52562,53388,54279,54943,55085,55086,55087,55194
+[N:1]-[C:2]>>[N:1](-[C:2])-[C:4](=[O:3])-[O:5]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	80	7147,9457,9958,10810,11072,11481,14078,15340,18660,18834,18935,19981,19983,20524,21624,21851,22442,23574,23721,23762,23785,23831,23854,23905,24809,26645,29342,32503,38131,38673,39585,39915,39978,45330,51329,51738,52453,52523,52524,52527,52528,52529,52591,52593,52594,54781,54790,54992,55267,55915,56058,56433,56442,56444,56446,56450,56452,56457,56458,56459,56460,56525,56528,56530,56532,56533,56534,56535,56536,56537,56541,56542,56543,56544,56545,56546,56550,56551,56552,56553
+[c:1]:[c:6]:[n+:4](:[c:3]:[c:2])-[O-:5]>>[c:1]:[c:6]:[n:4]:[c:3]:[c:2].[O:5]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1	75	2925,4667,6220,6898,7246,7502,7957,10154,11155,12490,13269,17519,17704,17798,18279,19938,20569,23673,24044,25165,25166,27338,27634,33241,34380,34725,36021,36199,36267,36543,36544,36547,36552,36555,36576,36578,36580,36582,36583,36589,36590,36594,36598,36600,36601,36603,36604,36605,36607,36608,36612,36616,36618,36641,36643,36647,36653,36666,36672,36674,36675,36679,36695,36700,36701,36702,36703,36704,36705,36707,36713,36714,36719,36720,36721
+[n:1]:[c:2](-[O:3]):[c:4]>>[n:1]:[c:2](-[O:3]-[C:5]):[c:4]	74	2920,6145,7226,7537,10312,10485,10486,11159,12269,13427,15470,15475,17166,25357,25496,25509,25793,27013,27815,27861,28778,32354,33584,33592,33594,33599,36197,36444,36521,38009,38488,38559,38895,39797,39896,39989,40130,40141,40212,42663,43316,43317,43533,43534,44528,46240,48667,50017,50118,50154,50261,50387,50404,51065,51069,51573,51616,52920,53130,53251,53284,53310,54367,54668,55007,55417,56557,56935,57046,57201,57220,57261,57262,57301
+[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[N:7]-[C:8]>>[N:7]-[C:8].[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[Cl:9]	74	4223,4403,4434,4937,4965,5235,5708,5960,6676,7227,8896,9204,9417,9909,10216,10223,10527,12317,13504,14052,14410,15279,15385,18422,19061,20488,20539,22241,22638,23132,23884,23898,23899,24717,25906,25992,25995,26961,26965,27012,27276,27800,29724,30138,30151,30180,30193,30243,30993,32352,32474,34268,34642,34643,34644,35947,35978,36270,36274,36276,36910,41835,41844,41845,41951,43530,46855,46948,48998,49263,49734,49998,50133,52954
+[c:1]-[N:2]>>[c:1]-[N:2]-[C:4](-[C:3])=[O:5]	73	2940,6041,7240,8807,10961,12861,15435,15525,15903,25322,25544,25703,25949,26176,27925,27930,28571,28772,29507,36067,38501,38514,38954,41558,43258,43595,44296,48069,48313,48534,48723,48731,48732,48733,48817,48828,49058,49060,49150,49287,49288,49307,49349,49355,49424,49528,49538,50009,50024,50433,50685,50686,50842,50886,50898,51581,52180,52864,53580,54566,54939,54940,54942,55427,55441,55444,55804,56359,56635,56638,56879,57175,57249
+[c:1]-[C:2]-[N:3]>>[c:1]-[C:2]#[N:3]	73	3539,5113,5928,5996,11305,13599,14059,15479,17367,18337,19504,20147,21548,21579,22932,23664,24677,25223,26102,26146,26288,26903,27476,29343,31890,33230,33459,34038,34492,36113,37393,37571,37763,37834,38058,38351,38662,38829,38830,39223,39263,39520,41341,45175,45655,47421,49083,50223,50466,50725,51168,51700,51772,52959,52986,53031,53547,53866,54074,54592,54657,54921,55258,55259,55422,55454,55657,56508,56938,56942,56970,57159,57251
+[C:1](-[C:2](=[O:3])-[O:4])=[C:5]>>[C:1](-[C:2](=[O:3])-[O:4]-[C:7]-[C:6])=[C:5]	72	3286,3293,6196,6466,6751,10868,11112,11114,11115,11410,11762,12098,14201,15170,16356,16505,17514,18297,18392,19958,20000,25585,25943,25945,26518,26848,27014,28622,28650,28654,28659,28663,30585,30925,30927,30930,36912,37151,37737,38812,38875,39308,39814,39852,39853,39983,41635,43383,43540,45856,46142,49354,49894,50501,50634,51964,52069,52114,52739,52869,53166,53833,54081,54526,54732,54733,54890,55276,55706,55993,56921,56972
+[C:1](-[c:2])-[Cl:3]>>[C:1](-[c:2])-[O:5].[Cl:3]-[S:7](-[Cl:4])=[O:6]	71	1075,4649,5063,5352,5366,5369,5380,5383,6081,6345,6455,9131,9562,12104,12951,25228,27607,34302,34305,34306,35541,35542,35564,35567,35571,35573,35584,35585,35605,35606,35630,35647,35652,35654,35658,35666,35672,35673,35675,35679,35684,35694,35695,35698,35703,35705,35708,35717,35719,35720,35730,35739,35747,35765,35777,35778,35779,35780,35781,35783,35806,35807,35808,35813,35814,35828,35834,35835,35840,35841,35845
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2]=[O:5].[N:3]-[C:4]	70	1331,2031,2033,2036,2053,2471,4417,4465,6223,6529,6533,7014,7125,8824,8967,9413,9998,10999,11060,11733,11979,12247,12388,12460,13232,14566,15510,17687,17791,18507,18670,18677,18707,18787,18966,18981,19032,20863,21989,22019,22097,22219,22382,22467,23382,23388,23818,23819,24687,24817,26260,26672,29800,29803,33433,33444,33505,34080,36725,37949,41622,41814,41923,41941,41947,42098,45155,54364,55837,56265
+[O:1]=[S:2](=[O:3])(-[C:4])-[N:5]-[C:6]>>[N:5]-[C:6].[O:1]=[S:2](=[O:3])(-[C:4])-[Cl:7]	69	1355,1557,3572,4220,4984,4987,4988,5962,6034,6355,6362,7498,8830,9140,9435,9853,10838,11236,11238,11240,11243,11247,11421,12200,12238,12542,13465,13943,18402,18698,21784,22050,23468,23665,23784,27903,29430,30980,36004,36018,38682,39717,39879,39901,41464,41792,41998,44844,44931,44942,44955,44956,44964,44972,44990,45094,45100,45108,45342,45345,45416,45417,45419,45422,45423,45425,45430,45433,54468
+[C:1]-[N:2](-[C:3])-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[N:2]-[C:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:8]	69	5047,7664,9677,9679,9696,9700,9719,9729,9731,9735,9736,9754,9760,9765,9769,9797,11237,11248,11955,12103,14142,14739,14810,14845,14892,14930,14934,14946,14950,14984,15191,15215,16195,16199,17512,18368,19141,19606,20417,21818,26801,27479,28795,29903,32705,37954,39033,39796,41659,44203,44882,44901,44939,45006,45018,45032,45056,45070,45081,45086,45087,45110,45116,45123,45133,45333,45339,45343,45344
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]=[O:5].[N:2](-[C:3])-[C:4]	69	5453,7085,7141,7251,7466,7693,8044,9681,9774,9792,9798,9802,9985,9988,11098,11171,12508,12538,14829,14883,14962,14969,14983,16212,16440,16585,16586,16596,16599,16601,16611,16655,16671,16673,16675,16681,16687,16700,16702,16703,16706,16713,16714,16718,16721,16723,16727,16731,16732,16735,16736,16737,16740,16744,16745,16747,16748,16753,16754,16757,16758,16761,16762,16764,16765,16767,16768,16769,16770
+[Br:1]-[C:2]-[C:3]>>[Br:1]-[C:5](-[Br:4])(-[Br:6])-[Br:7].[C:2](-[C:3])-[O:8]	68	469,470,471,472,473,474,475,476,477,478,479,480,484,485,486,487,489,491,492,493,494,495,496,497,498,499,503,506,507,509,512,515,517,519,520,521,523,525,527,528,530,531,533,534,535,536,538,539,541,543,544,549,550,552,553,555,556,557,561,563,565,566,567,568,570,571,572,574
+[C:1]-[N:2](-[C:3])-[C:5](=[O:4])-[c:6]>>[C:1]-[N:2]-[C:3].[O:4]=[C:5](-[c:6])-[Cl:7]	67	1559,3129,3919,4784,4786,6165,6635,7623,7813,7856,9636,9654,9663,9702,9960,9989,10127,12724,12756,13032,13241,13541,13788,13830,13879,13898,13906,13908,14318,14862,14943,15134,15140,15164,15190,15218,15421,15713,16169,17316,18881,19142,19632,20477,20529,23856,23911,24969,26439,26703,32595,32612,32689,33412,36318,37206,41245,41690,48933,51781,52235,52957,53587,53588,53601,56045,56046
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3]-[c:4].[C:1]-[C:2]-[I:5]	67	1893,4094,4207,4208,4374,4656,6138,6172,10674,10831,11932,12014,17681,19044,20536,20576,20826,21663,21912,23359,24116,26661,26685,27289,27310,27606,29383,29409,29886,29888,29942,29949,29953,29954,29955,29956,29957,29961,29963,29965,30037,30044,30055,30057,30060,30065,30066,30067,30069,30070,30072,30074,30075,30076,30078,30080,30083,30088,30089,30090,30093,30097,30102,30108,30122,30126,31211
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[C:9]>>[C:1]-[N:2]-[C:9].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:10]	66	3092,3098,3121,5313,5317,5428,7010,7021,7022,7228,7821,7822,7899,8046,8047,9583,9605,9642,9643,9658,9675,9680,9745,10325,11524,11752,12695,12775,13278,13886,14825,14826,14827,14830,14863,14921,14922,14923,14968,14992,15058,15115,15529,15554,15558,15559,15735,16214,16227,19407,19710,25485,28763,29554,29568,32687,34690,36425,37037,38107,38402,43863,49450,54061,56893,57290
+[C:1]-[O:5]>>[C:1]-[O:5]-[C:2]-[c:9]:1:[c:3]:[c:4]:[c:6]:[c:7]:[c:8]:1	66	11142,13210,17743,17803,18853,18978,20095,20140,21730,21825,21974,22682,22757,22983,23487,23492,23716,24369,24714,24807,24850,26419,29269,34221,37580,37813,39359,39849,44843,46266,51774,51827,52164,52610,52613,52618,52619,52620,52621,52626,52628,52630,52633,52634,52958,53975,54019,54343,55415,55770,56117,56573,56574,56575,56580,56583,56594,56595,56596,56597,56600,56601,56603,56604,56605,57031
+[c:1]:[c:8]:[n:7]:[c:3](:[c:2])-[c:4](:[c:5]):[c:6]>>[c:1]:[c:8]:[n:7]:[c:3](:[c:2])-[Br:9].[c:4](:[c:5])(:[c:6])-[B:11](-[O:10])-[O:12]	65	1058,1126,1717,1924,12421,13978,15933,22034,24279,25042,27569,27760,27899,29483,32496,34394,34684,34685,36920,38698,39127,39367,39373,39374,39611,42393,42526,42662,43612,43613,44792,44854,46030,46407,46426,46432,46459,46490,46585,46591,46604,46608,46616,46656,46669,46670,46675,46692,46693,46727,46732,48266,48277,48387,48714,49530,50455,50581,51243,51481,51514,53423,53447,54110,57029
+[c:1]:1:[c:2](-[Cl:3]):[c:4]:[c:5]:[n:6]:[c:7]:1>>[c:1]:1:[c:2](:[c:4]:[c:5]:[n:6]:[c:7]:1)-[O:12].[Cl:3]-[P:9](=[O:8])(-[Cl:10])-[Cl:11]	65	3326,3935,3936,6139,10649,11400,12929,14033,14051,15942,25664,27806,28678,29773,32493,33572,33787,34264,35183,35209,35213,35219,35235,35249,35261,35273,35274,35279,35301,35313,35316,35318,35319,35330,35331,35332,35338,35349,35350,35351,35364,35373,35382,35383,35385,35386,35393,35394,35411,35413,35420,35430,35463,35474,35476,35478,35497,35498,35499,35500,35501,35505,35506,35531,35533
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:6])-[I:7]	64	1334,1339,1342,1344,1346,1348,1351,1358,1359,1366,1367,1371,1372,1385,1386,1388,1389,1390,1398,1406,1407,1408,1409,1410,1412,1413,1415,1416,2174,4616,4949,6250,7187,7495,10572,10662,11723,11724,12102,12914,13368,17268,17270,18415,20073,20436,22855,25368,25369,25465,28748,28749,31944,32244,32245,36858,37241,45408,49282,49729,50266,50955,51922,54230
+[C:1](-[O:2])-[C:3]-[N:4]-[C:5]>>[C:1]-1-[O:2]-[C:3]-1.[N:4]-[C:5]	63	2818,2828,2835,3370,4008,4151,4449,4456,4469,4470,5038,6320,7212,7867,9971,10451,11165,11797,12281,14188,14484,15795,17738,17761,17784,17785,17786,19402,19976,20003,20035,20061,22656,22664,24698,24808,26009,26947,27294,29792,29968,29969,30140,31942,33526,34613,35967,37697,37840,39639,41857,41883,43479,43659,43690,43692,43694,49480,50105,54282,55681,56052,56275
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9]	63	3095,3146,3152,4238,4520,4533,4994,5301,7020,7367,7653,7739,7805,9596,9639,9771,10560,11128,11595,12713,12717,12770,13009,13016,13017,13018,13692,13763,13782,13783,13821,14683,14691,14766,14804,14811,15184,15189,15192,15203,15627,15634,15635,16423,17472,19651,20316,27648,29561,30935,31972,32588,32589,32590,32596,37271,37543,37680,41684,45222,45230,54068,54559
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[c:1]-[N:2].[C:3](=[O:4])=[N:5]-[c:6]	63	4183,9257,10701,11225,11297,12377,13992,14380,14565,15956,19285,20509,24315,25376,25616,25694,26756,26793,27891,31893,32270,32340,32374,34427,35890,35891,35915,36779,36861,36862,38375,38553,38554,39007,39008,39050,39177,39224,39225,43140,44559,46715,48910,48911,49023,49027,49037,50409,50665,50859,51789,52881,52882,52883,52884,52886,52887,54795,54796,54797,54849,54929,54930
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4]-[c:5].[C:1]-[C:2](=[O:3])-[O:9]-[C:7](-[C:6])=[O:8]	62	2541,9011,13976,16247,16859,16871,16872,16874,16875,16878,16880,16881,16891,16892,16893,16896,16904,16905,16906,16907,16908,16909,16910,16911,16912,16934,16936,16938,16944,16950,16951,16959,16961,16968,16972,16979,16981,16982,16983,16986,16987,16990,17000,17024,17027,17030,17031,17041,17045,17046,17047,17048,17049,17050,17064,17085,17095,17096,17100,17103,17107,17108
+[c:1]-[O:4]-[C:3]-[C:2]>>[C:2]-[C:3]-[O:5].[c:1]-[O:4]	62	3376,3452,4612,5004,5158,5189,5260,5268,5269,5270,5273,5274,5558,5559,5648,5650,5652,5971,6210,6971,10098,10131,10478,11342,12613,12614,12623,12837,13050,13181,14111,15838,15839,15840,15841,18304,18798,22617,23090,24172,25477,26283,26813,30247,30304,30444,33309,34522,36335,36336,37758,37829,38079,39084,39842,46959,47353,48378,49711,50864,51344,51423
+[O:1]=[C:2](-[O:3])-[C:4]=[C:5]>>[O:1]=[C:2](-[O:3]-[C:6])-[C:4]=[C:5]	62	3666,3673,7857,7968,9115,10878,11546,12392,12576,12585,13294,16450,16457,16493,18918,22780,22794,22860,23931,24084,27693,29711,32498,36072,38303,38898,39143,39144,43145,45672,45981,46146,46147,46301,46306,48359,48426,49382,49434,50363,50588,51061,51268,51335,51506,51534,51705,52411,53015,53025,54032,54033,54092,54426,54744,55080,55149,55277,55278,55410,56060,56750
+[C:1]-[O:2]-[C:3]=[O:4]>>[O:2]-[C:3]=[O:4].[C:1]-[O:5]	61	1099,1879,1911,6231,6270,6661,13057,14588,15339,17385,23972,25352,27301,27951,32713,32722,32723,32744,32756,32758,32790,32792,32796,32813,32814,32817,32819,32820,32821,32823,32845,32846,32856,32858,32859,32865,32868,32878,32880,32892,32916,32922,32944,32946,32960,32972,32974,32982,32984,33008,33025,33041,33043,33046,33054,33062,33074,33085,33146,33194,33196
+[C:1]#[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]#[C:2].[c:3](:[c:4])(:[c:5])-[I:6]	61	1432,1437,1439,1442,1451,1452,3257,6175,10111,10958,11070,11227,11228,11319,11355,13416,17244,21756,23717,24071,24076,24077,24078,25309,27268,27380,27409,27410,27752,28645,29475,29493,30237,30238,34227,34237,36856,36859,38321,40600,49053,50444,50480,50629,50632,50986,51021,51302,51632,51801,52449,53218,53503,53505,53608,54099,54112,54113,54826,54829,54834
+[C:1](=[O:2])(-[C:3])-[Cl:4]>>[C:1](=[O:2])(-[C:3])-[O:8].[Cl:4]-[S:6](=[O:5])-[Cl:7]	61	2109,4007,4071,4623,4735,6598,8814,9851,10494,10513,10814,12049,12226,12411,13413,16102,17224,17729,25428,26274,26525,27988,28618,28742,33467,34405,35029,35545,35548,35549,35552,35553,35555,35558,35562,35577,35586,35613,35649,35659,35671,35687,35692,35700,35706,35709,35714,35722,35725,35742,35745,35756,35762,35771,35772,35796,35803,35809,35810,35815,35848
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])-[Br:6]	61	2139,2140,2169,3208,3874,4527,4536,5305,6099,6214,6420,6427,6486,6506,8043,9580,9590,9629,9712,9718,9761,12214,12747,13743,13845,14666,14870,14904,14951,14990,15008,15154,15224,15242,15555,15566,18717,19135,19633,24334,26027,26539,27352,27362,27893,27894,28669,28796,31970,32573,32625,32649,38161,39255,39441,45604,48228,49439,51001,54063,54533
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2]-[Br:5].[N:3]-[C:4]	61	2892,3898,4165,4260,4262,4263,4421,4435,4437,4453,4459,4460,4463,4591,4669,5589,5775,6061,10657,10847,11047,12458,16065,20481,21914,23896,24697,26945,26957,29381,29972,29979,30241,30969,33954,38655,39548,40116,40117,41815,41839,41878,41908,41915,41926,41930,42101,42102,43414,43441,43486,45171,46829,48846,49368,49985,50070,54228,54286,54563,56278
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[C:4](-[C:5])-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9].[N-:1]=[N+:2]=[N-:3]	61	7347,7991,9380,13176,17482,18979,19965,19979,20198,20542,21729,21994,22085,22137,22283,22317,22930,23067,23534,23642,23830,24338,24720,24923,39653,45195,45198,45201,45202,45203,45204,45205,45206,45207,45208,45209,45210,45216,45217,45264,45862,45866,45868,45870,45875,45876,45878,47945,47950,47957,47968,47975,47985,47988,47992,47999,48000,48017,48031,48041,48050
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[I:7].[c:3](:[c:4])(:[c:5])-[B:9](-[O:8])-[O:10]	61	11725,11894,16104,17883,21748,23511,23512,23513,23514,24065,24066,24067,27458,27624,27625,27954,33326,33327,33480,33879,36175,36268,36363,37284,37711,39030,39370,39375,42687,45653,45654,46408,46416,46437,46438,46465,46471,46513,46549,46569,46570,46603,46606,46612,46618,46620,46626,46639,46678,46720,47415,48694,48725,48833,51026,51104,51105,51106,51561,53445,54263
+[O:1]-[N:2]=[C:3]-[c:4]>>[C:3](-[c:4])=[O:5].[O:1]-[N:2]	60	6189,6190,7210,10951,11804,13625,18238,18427,19223,21759,24466,27529,28901,28903,29419,29461,31207,33253,33254,33258,33262,33264,33267,36168,36947,37769,37885,38177,39353,39437,40372,44625,44626,44658,44663,44677,44694,44803,44821,45523,45926,47026,47027,47028,47029,47045,47067,47068,47075,47121,47124,47125,47126,47127,47137,47148,47151,47153,47155,47161
+[c:1](:[c:2]):[n:7]:[c:4](:[c:3])-[O:5]-[c:6]>>[O:5]-[c:6].[c:1](:[c:2]):[n:7]:[c:4](:[c:3])-[Cl:8]	59	1,2907,5132,5610,5612,5727,7715,9502,10563,11286,11740,12593,16117,16273,16367,20360,21747,22035,23092,23093,23914,25689,26143,26704,31108,31110,31111,34490,34645,34647,34648,34681,36494,36916,36917,36927,37236,37379,37658,38878,39022,39023,39273,39838,40132,44627,44787,48617,48736,48883,48885,48888,49812,50851,52929,54140,54296,54583,55947
+[c:1](:[c:2]):[n:5]:[c:4](:[c:3])-[Cl:6]>>[c:1](:[c:2]):[n:5]:[c:4](:[c:3])-[O:11].[Cl:6]-[P:8](=[O:7])(-[Cl:9])-[Cl:10]	59	1053,11768,14291,27265,27597,27802,27865,31137,31250,32525,33440,34342,34675,34676,35180,35182,35187,35202,35208,35226,35227,35238,35241,35246,35252,35255,35256,35269,35270,35286,35287,35288,35291,35296,35300,35306,35307,35314,35321,35329,35339,35392,35397,35398,35400,35410,35414,35423,35431,35438,35443,35449,35467,35472,35484,35491,35502,35507,35523
+[C:1](-[c:2])(=[O:3])-[Cl:4]>>[Cl:4]-[C:8](-[C:6](=[O:5])-[Cl:7])=[O:9].[C:1](-[c:2])(=[O:3])-[O:10]	59	2573,2576,2582,2596,2602,2603,2608,2611,2612,2613,2614,2631,2632,2634,2636,2637,2646,2651,2654,2656,2657,2666,2668,2669,2671,2675,2682,2685,2686,2688,2689,2690,2691,2693,2694,2696,2697,2698,2702,2703,2704,2705,2708,2709,2710,2712,2714,2725,2726,2727,2728,2730,2734,2739,2740,2747,2749,2750,2757
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2].[C:3](-[c:4])-[Cl:5]	58	1084,3244,3359,3361,3397,4896,5923,6201,6202,9130,9916,10148,11568,11826,11881,16414,21651,21652,25065,25545,25600,27026,27661,29838,33540,33563,34350,36143,36420,39046,39101,40064,40259,40349,48539,48544,48912,48917,48986,49047,49298,49316,49407,49427,50329,50364,50365,50548,50645,50792,51101,51102,51641,51666,51688,52285,54318,54581
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	58	1897,1935,6399,10418,11138,11423,13993,14190,19320,21392,22495,22997,27862,27864,31107,31164,31165,33582,35885,36026,36304,36305,36907,36928,37070,38000,38064,38134,38152,38630,38877,39048,39133,39366,39604,39605,39609,43618,45635,46468,46469,46494,46523,46534,46586,46647,46680,46734,46735,48346,48532,48884,50612,51397,51643,51892,51911,54697
+[C:1](=[O:2])(-[C:3])-[Cl:4]>>[Cl:4]-[C:8](-[C:6](=[O:5])-[Cl:7])=[O:9].[C:1](=[O:2])(-[C:3])-[O:10]	58	2457,2467,2572,2577,2578,2579,2580,2585,2586,2587,2588,2590,2591,2592,2593,2594,2595,2600,2601,2605,2606,2607,2609,2615,2617,2618,2620,2633,2639,2649,2655,2663,2670,2678,2679,2683,2692,2700,2701,2706,2713,2715,2718,2719,2721,2722,2731,2733,2735,2736,2738,2742,2745,2748,2751,2752,2754,2759
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[n:7]>>[c:1]:[c:2](-[N:3]):[n:7].[C:4](=[O:5])(-[C:6])-[O:8]	57	1460,3914,6219,6221,6246,6546,6650,6867,6968,6969,10193,11415,11712,12106,12108,12110,12129,12131,12351,13225,13961,13963,17658,19906,21656,21804,22564,22592,23307,23308,24805,25177,25378,25401,25515,25755,26067,26068,26069,26593,26639,27858,29358,31222,31223,31226,36931,37756,38166,38497,41288,42567,49821,49822,49977,50739,53375
+[C:1]-[C:2]#[N:3]>>[C:1]-[C:2](-[N:3])=[O:4]	57	1466,2902,6981,8826,9261,17498,17691,17692,18071,18775,18782,19196,19440,19960,19972,20132,20133,20134,20135,20252,22000,22107,22861,23185,23187,23245,23279,23354,23422,23424,23515,23708,23731,23766,23768,24796,25736,25843,36498,36511,36845,38777,39498,39953,39997,47803,50360,51181,51679,52011,53110,54185,54746,55299,55940,56417,56419
+[c:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:7]>>[c:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[n:6]:1.[C:7]-[I:8]	57	3301,3385,4040,9922,13920,19753,19798,23084,23134,23949,27650,31086,31245,31368,31371,31389,31397,31418,31421,31435,31436,31438,31449,31521,31567,31578,31595,31609,31613,31617,31631,31637,31645,31650,31651,31685,31687,31705,31706,31713,31721,31730,31731,31733,31746,31750,31754,31756,31805,31817,31818,31819,31821,31849,31851,31852,31854
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1)-[Cl:9].[C:1]-[O:2]	57	4414,5263,9487,9864,9865,11251,11416,12440,12639,12838,13580,14159,15333,17228,17229,19192,24829,24875,25641,26037,26190,27743,30337,30456,30494,30517,32387,32711,33059,33113,33155,33171,33185,33190,33191,35141,37014,37168,37620,37621,37622,37623,37624,37627,37655,43730,45664,45685,46969,46972,46973,46974,46986,46987,48530,48622,52478
+[c:1]:[c:2](-[C:3]=[O:5]):[c:4]>>[c:1]:[c:2](:[c:4])-[Br:6].[C:3](=[O:5])-[N:8](-[C:7])-[C:9]	56	1065,1068,1115,4377,5793,5808,9918,14210,16277,17602,19304,19737,19745,21501,24199,25221,25319,25367,25480,25821,27639,27663,27766,27772,28745,29465,32040,32042,32058,32061,32062,32066,32088,32101,32110,32120,32127,32129,32130,32137,32139,32144,32149,32155,32163,32166,32177,32179,32195,32196,32197,32204,32205,32206,32227,32231
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[c:8]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:9]):[c:8].[N:5](-[C:6])-[C:7]	56	2936,3231,3346,3961,3962,3964,5072,6204,6433,7361,8842,9684,9780,11296,11383,12267,12989,13731,13732,13749,13790,13851,13907,14659,15244,15712,16381,17445,17446,19463,19616,19637,21971,23156,23157,23324,25011,25012,26798,30239,30282,32560,32567,32626,32627,32653,33443,37165,38605,39102,39330,39546,39944,40294,51328,57037
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[P:5](-[Br:4])-[Br:6].[c:1]-[C:2]-[O:7]	55	933,934,935,936,937,938,939,940,947,948,955,956,957,959,960,961,962,963,964,965,966,968,969,970,972,973,976,979,982,983,984,985,987,988,991,992,996,997,999,1005,1006,1007,1008,1009,1010,1011,1012,1013,1015,1016,1017,1018,1019,1020,1021
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:5].[C:1]-[O:2]	55	2141,2149,3798,4153,4157,4248,4608,4636,5171,5209,6101,6587,6589,7783,12054,13193,15321,15324,15334,18818,20364,20407,21977,22187,22247,22444,22473,22476,22477,23232,23403,24372,25122,25931,29377,29378,30432,32781,32799,32810,33121,36008,36360,37170,37423,43679,45940,46878,46938,51279,52856,53116,53438,54158,55639
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:17]-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16]	55	3240,3943,12865,16049,20914,20933,20935,20948,20961,20962,20975,20977,21011,21012,21013,21014,21015,21016,21017,21018,21019,21020,21023,21024,21025,21077,21084,21089,21092,21095,21098,21100,21101,21105,21118,21128,21138,21152,21154,21162,21163,21164,21165,21168,21177,21199,21266,21267,21277,21278,21279,21281,21331,21344,21350
+[C:1](-[c:2](:[c:3]):[c:4])=[O:5]>>[c:2](:[c:3]):[c:4].[C:1](=[O:5])-[N:7](-[C:6])-[C:8]	55	4372,4376,9545,15868,17392,18273,19826,25074,25076,25105,25187,25192,25269,27045,27237,27420,27531,29432,32052,32053,32054,32056,32057,32070,32071,32072,32073,32077,32090,32091,32092,32096,32103,32106,32108,32114,32116,32117,32119,32131,32135,32150,32151,32152,32158,32159,32161,32162,32171,32180,32187,32198,32203,32216,32229
+[C:1]-[O:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[O:2].[C:3](-[C:4])(=[O:5])-[O:9]-[C:7](-[C:6])=[O:8]	54	2845,3024,5342,6870,6871,7207,7291,8876,9486,12818,13260,13263,14079,16828,16835,16839,16841,16844,16845,16846,16847,16849,16850,16851,16853,16854,16862,16863,16867,16916,16920,16923,16925,16926,16948,16964,16967,16970,16974,16985,16995,17007,17011,17051,17058,17077,17080,17082,17084,17090,17091,17094,17102,17104
+[C:1](=[O:2])-[O:3]>>[C:1](=[O:2])-[O:3]-[C:5](-[C:4])(-[C:6])-[C:7]	54	7918,17709,21367,21368,21369,21372,21373,21374,21375,21376,21377,21379,21387,21388,21389,21390,21391,21393,21395,21398,21399,21401,21408,21410,21413,21417,21418,21419,21420,24251,24252,24253,24260,24261,24264,24267,24268,24272,24274,24275,24278,24281,24285,24288,24293,24297,24298,24302,24306,24310,24316,24318,24319,38010
+[c:1]-[O:2]-[Si:3](-[C:4])(-[C:5])-[C:6]>>[Si:3](-[C:4])(-[C:5])(-[C:6])-[Cl:7].[c:1]-[O:2]	53	1589,6284,8007,8852,8854,9138,9948,11837,12551,15979,24491,24499,24500,24501,24502,24505,24521,24523,24528,24547,24549,24551,24552,24553,24556,24559,24560,24563,24565,24566,24571,24573,24574,24575,24576,24577,24579,24580,24583,24584,24598,24609,24618,24623,24624,24627,24628,24634,24640,24654,27506,27512,27515
+[C:1]-[C:2](=[O:3])-[c:4]>>[C:1]-[C:2](-[O:3])-[c:4]	53	2860,3837,3908,5019,5079,5091,5092,6237,7040,10723,12316,12821,17623,20452,24321,25169,25170,25662,26168,26500,27063,27351,27353,27936,33289,33290,34318,38085,44202,45995,46876,49322,49418,49661,49944,50974,51005,52002,52043,52170,52790,53195,53304,53796,54215,54433,54730,55174,56063,56064,56065,56957,57299
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:8].[c:1]:[c:2](:[c:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	52	1055,1195,1196,6651,10507,13220,14481,16109,16362,17227,17560,23940,24461,26094,26219,28336,28364,28367,28401,28409,28415,28461,28465,28947,28950,28951,28995,29000,29004,29024,29057,29059,29060,29062,29064,29073,29085,29100,29103,29116,29137,29140,29142,29154,29159,29189,29210,29222,29223,29224,29225,43526
+[C:1]-[N:2]>>[C:1]-[N+:2](=[O:3])-[O-:4]	52	2558,2559,4694,4695,6992,7220,8005,8958,24673,25955,26114,26429,29880,36056,36133,37693,38828,38844,39152,39469,39627,43129,43276,43418,43721,46248,46932,47365,48081,48082,48502,49109,50233,50340,50554,50834,50902,51086,51530,52368,52596,52777,52778,52789,53039,53468,56153,56343,56674,56744,57021,57218
+[c:1]:[c:2](-[I:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:5].[I:3]	52	6218,19535,27699,27955,27966,34261,37695,37720,38322,38395,38462,38951,39247,40224,40400,40401,40402,40404,40405,40406,40407,40408,40409,40410,40411,40422,40423,40424,40428,40429,40430,40431,40432,40433,40435,40437,40438,40441,40442,40443,40444,40445,40456,40462,40464,40466,40467,40478,40479,40480,40481,40484
+[c:1]-[C:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:6]	51	1593,1745,1746,3664,3668,3670,4095,12532,18018,18098,21611,22694,23268,23812,25707,27296,28564,30616,30618,30622,33311,33416,36166,38015,38535,39142,40327,40369,43382,43384,43385,43386,43387,46800,46801,48425,48786,49138,51176,53537,54091,54093,54094,54452,54935,54972,55434,55486,56267,56678,56716
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:6].[C:3]#[N:4]	51	4651,6339,10259,10734,11077,13319,18600,18705,20186,20361,20559,20568,21580,27328,29338,35972,35976,35977,35989,37272,38017,39693,39694,40147,40296,41013,41016,41036,41038,41053,41063,41073,41080,41081,41094,41102,41104,41105,41107,41112,41123,41124,41125,41127,41136,41141,41146,41148,41157,41164,41187
+[N:1]-[c:2](:[n:3]):[c:4]>>[N+:1](-[c:2](:[n:3]):[c:4])(=[O:5])-[O-:6]	49	7053,7743,9024,11111,13283,13960,14119,19476,19604,20124,22149,24042,24227,26070,29366,29762,31093,31960,34288,34356,34410,35879,37999,41570,41611,43506,43610,43611,48594,48748,48806,48919,49182,49449,49703,49835,51475,52424,52595,52988,53549,55734,57278,57303,57324,57325,57327,57337,57341
+[N:1]-[C:2]-[c:3]>>[N:1]-[C:2](-[c:3])=[O:4]	49	11134,11174,12903,13252,13937,14333,14335,15798,15799,31894,31896,38676,38804,39038,41441,41653,42427,42438,43428,43522,45585,45596,47379,47414,48538,48762,48763,49159,49258,49259,49311,49422,50231,50828,50890,50965,51113,51186,52679,52787,53747,53749,53780,54209,56086,56680,56760,57022,57268
+[C:1](-[C:2]-[c:3])#[N:4]>>[C:2](-[c:3])-[Br:5].[C:1]#[N:4]	48	901,2142,2147,6094,6261,6354,6407,6487,6511,6801,7223,17697,17860,30615,33534,33548,34582,36109,36156,36310,36341,37921,37948,40335,41043,41051,41054,41055,41058,41060,41077,41087,41089,41096,41097,41103,41108,41118,41128,41130,41131,41135,41138,41158,41163,41166,41178,41185
+[O:1]=[C:2](-[C:3])-[N:5](-[O:4])-[C:6]>>[O:1]=[C:2](-[C:3])-[O:7].[O:4]-[N:5]-[C:6]	48	2496,2497,4910,6233,7580,8816,9252,9530,10153,10207,11252,13412,17184,18446,18691,18933,19418,19903,19951,19985,20225,20383,22162,23207,23283,23349,23364,23456,23772,26127,34470,41499,41506,41512,41519,41525,41530,41531,41533,41535,41538,41539,41542,41543,41544,41545,41546,41552
+[c:1]-[C:2]-[C:3]>>[c:1]-[C:2](-[C:3])=[O:4]	48	2816,2832,2954,3834,4083,9126,9275,10358,17581,17646,22164,26505,27926,27927,28711,29776,30552,33222,33468,37243,37254,37530,43474,43891,48564,49143,49188,49196,50324,51108,51276,51305,51310,51351,51390,51594,52193,53021,53578,53579,53581,53583,53585,54304,55355,55488,55709,56172
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[c:1]-[O:2].[S:3](=[O:4])(=[O:5])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17]	47	1513,1907,2534,2952,5603,5695,6173,9049,10365,12235,12391,13251,13390,15859,16301,16345,16365,16480,27087,34528,36322,36458,38218,38219,38220,38221,38222,38224,38225,38229,38231,38232,38236,38237,38241,38242,38246,38247,38248,38249,38250,38251,38252,38254,38255,38256,38257
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:4].[C:5]-[O:6]	47	1636,2475,2546,2833,6653,6994,7579,8893,10422,11467,11652,12547,20155,21578,22111,22324,23603,32755,32770,32847,32860,32894,32906,32947,32980,33023,33031,33048,33049,33080,33082,33094,33104,33106,33108,33122,33123,33125,33126,33130,33141,33143,33153,33162,33165,33179,33180
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:7]-1-[C:6]-[C:5]-[C:4]-[C:3]-[O:8]-1	47	2124,2125,4295,6961,7186,8999,9117,10467,10551,11778,13093,16248,16307,16309,17112,18509,21723,24105,24721,26493,27500,28418,32389,34858,36955,37666,38545,38700,39620,45898,50458,50876,51203,51449,52763,52966,53057,53637,53709,54207,54298,54425,54446,56050,56238,57048,57069
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[O:5].[N:3]	47	2933,6350,11431,12965,17114,17711,20586,21403,22957,24289,25525,27398,27976,34551,34568,36124,37275,37671,40651,40652,40653,40655,40659,40662,40694,40728,40733,40735,40737,40738,40764,40797,40809,40822,40824,40826,40833,40839,40850,40851,40852,40866,40884,40910,40945,40967,40977
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]-[O:6]>>[C:1]-[N:2]-[C:3].[C:4]-1-[C:5]-[O:6]-1	47	3119,3122,4530,6421,7063,7221,7947,8042,9670,9678,9685,11101,11515,12742,13655,13746,14660,14710,14752,14871,15024,15085,15255,15256,15619,15733,15741,20062,22101,23378,27124,28806,28881,30940,32643,32667,32670,36933,37767,38640,43639,43691,43693,43695,49641,51436,51728
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5])-[Cl:6]	47	3142,3149,5062,7704,9610,9725,13682,13728,13816,13902,14692,14721,14758,14787,14792,14844,14914,14915,15048,15100,15110,15111,15205,15696,15718,15729,16348,16349,17821,19628,19703,30941,31975,32578,32633,32651,32654,33408,37265,39994,41618,43282,43784,50108,51223,54374,55620
+[n:1]:[c:2](:[n:3])-[S:5](-[C:4])=[O:6]>>[n:1]:[c:2](:[n:3])-[S:5]-[C:4].[O:6]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1	46	1241,10946,10968,11301,11769,15275,15365,16487,19088,20243,20247,22193,24188,26076,30269,36536,36549,36550,36551,36559,36561,36562,36563,36564,36567,36568,36569,36570,36585,36586,36587,36611,36614,36620,36623,36625,36626,36642,36644,36659,36668,36678,36694,36710,36717,36722
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:4](-[C:3])=[O:5]	46	1623,2894,9452,11447,11829,21487,21489,25308,25332,25505,25699,27311,28846,43066,43545,43568,43569,48296,48686,49130,49628,50476,50704,50706,51226,51282,51484,51588,51589,51684,51703,52678,52750,52943,54149,54315,54480,54806,55072,55073,55077,55279,55327,55453,55868,57358
+[c:1]:[c:2]:[n:3]:[c:4]:[c:5]>>[c:1]:[c:2]:[n+:3](:[c:4]:[c:5])-[O-:6]	46	3366,4652,5810,6836,7193,11558,17890,20655,25388,27355,27745,33478,34563,36176,38347,38500,38940,39780,43349,43591,43794,48116,48118,48120,48121,48232,48271,48630,48798,48921,48922,48936,48993,49093,49191,49277,49429,50461,50462,50817,51205,51283,51346,51398,51468,55159
+[c:1]-[O:2]-[C:4]-[O:3]>>[c:1]-[O:2].[O:3]-[C:4]-[Cl:5]	46	5826,5827,5830,5833,5836,5837,5841,5842,5843,5844,5848,5849,5850,5851,5853,5854,5855,5856,5857,5858,5859,5860,5861,5862,5863,5866,5869,5870,5871,5873,5948,5979,5980,5981,5982,5983,5984,5986,5989,5990,8825,33895,33902,33917,33921,33926
+[C:1]-[C:2]-[O:3]-[C:4]>>[C:1]-[C:2]-[Br:5].[O:3]-[C:4]	45	721,822,823,825,830,847,854,856,857,859,860,863,865,879,2089,2095,2096,2957,3698,3825,3845,3881,4244,4245,4545,5671,5756,5951,5952,7526,9333,9466,9567,10442,10765,10766,19202,29817,29820,33111,33144,39527,43493,43650,52624
+[N:1]#[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Cl:5].[N:1]#[C:2]	45	1074,4894,5823,9561,25389,27726,27921,35140,36217,40114,40203,41020,41021,41042,41046,41048,41052,41056,41065,41066,41067,41069,41071,41072,41083,41084,41085,41090,41092,41093,41095,41100,41137,41139,41140,41150,41161,41171,41173,41174,41181,41182,41183,41184,41186
+[n:1]:[c:2](-[C:3]=[O:5]):[c:4]>>[n:1]:[c:2](-[C:3]-[O:5]):[c:4]	45	3058,12155,12842,20688,21938,24474,25272,25807,27417,27450,31126,36296,36410,36752,36822,36953,38965,39184,44502,46997,46998,47377,47417,48405,48551,49807,49868,49874,50956,51407,52535,52823,54300,54458,54680,54780,54799,55089,55455,55670,55840,56310,56764,57191,57340
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[N:7]-[c:8]>>[N:7]-[c:8].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[Cl:9]	45	3250,6029,6645,6646,6647,6648,11353,14138,14167,14440,14511,14609,14610,15512,15908,25288,25555,27768,27924,29786,32391,33336,33845,34325,35952,36052,36277,36474,36892,41382,41383,41384,41387,42486,42682,42684,42809,46151,48901,49176,49731,49732,51120,51446,52058
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:6].[C-:3](#[N:4])~[Cu+:7]	45	5595,5606,6901,11714,17212,26134,26524,27660,27744,28636,28877,33388,33418,37250,37728,38012,38325,38869,39771,42476,42570,42579,45593,47499,47501,47502,47503,47506,47507,47508,47510,47512,47513,47514,47515,47516,47518,47519,47521,47522,47523,47524,47526,47530,47531
+[N:1]=[C:2](-[c:3])-[N:4]-[O:5]>>[N:1]#[C:2]-[c:3].[N:4]-[O:5]	44	6900,12210,12503,17655,18236,18260,18321,20334,21468,22018,25075,25384,26981,27309,33951,34561,38004,38380,39317,39358,42397,42821,45188,47017,47018,47019,47033,47034,47041,47042,47054,47058,47073,47078,47100,47104,47106,47123,47164,47165,47166,47184,47185,47191
+[c:1]:[c:6]:[n:5]:[c:3](:[c:2])-[N:4]-[C:7]>>[c:1]:[c:6]:[n:5]:[c:3](:[c:2])-[F:8].[N:4]-[C:7]	43	1459,4440,4986,4989,6530,6543,6544,7474,9421,9422,9429,10221,10224,11774,12168,12181,12454,14026,14405,15384,15404,17770,22145,22645,29367,30220,39219,40396,40397,41376,41833,41964,42089,42786,46830,50576,51265,51266,51267,51415,52015,57138,57139
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])-[I:6]	43	3147,5818,6060,7633,8021,9795,9801,13739,13861,13901,14709,14785,14839,14924,15071,15163,15200,15220,15695,15745,15746,16217,16220,20391,21370,21412,22600,22611,24246,28765,29877,29948,29964,29966,30045,30062,30068,30094,30110,30115,37836,52086,55575
+[c:1]:[c:2](:[c:3])-[I:4]>>[c:1]:[c:2]:[c:3].[I:4]-[I:5]	43	4928,7884,10526,11373,11507,16343,26013,26662,27460,34598,37156,37524,37983,38420,39034,39512,40146,40497,40501,40513,40515,40519,40525,40528,40535,40536,40539,40541,40543,40544,40557,40558,40559,40561,40562,40563,40566,40567,40568,40570,40572,40577,40578
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9].[c:1]-[O:2]	43	5261,5262,5433,6415,12641,13239,13596,13951,14424,15524,15971,19100,20556,20796,25408,25409,25750,33314,34755,36941,36999,37001,37088,37089,39021,39664,43714,43715,47340,48207,48545,49200,49271,49777,49778,50563,51392,51425,51435,53339,55527,55604,56822
+[c:1]-[O:2]>>[c:1]-[O:2]-[Si:7](-[C:4](-[C:3])(-[C:5])-[C:6])(-[C:8])-[C:9]	43	7974,25181,25182,25186,25191,25195,25199,25202,25207,25210,25213,25215,25224,25232,25235,25236,25237,25238,25239,25240,25241,25243,25245,25247,25250,25252,25253,25262,25263,25264,25265,25266,25276,25277,25278,25279,25282,25283,25284,25285,25287,25291,34246
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[n:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]):[n:7].[N:5]-[c:6]	42	1172,1175,1780,3416,3418,3419,3439,5938,6252,7536,7849,7901,9052,9053,10704,10739,10858,12952,17643,19830,19831,20367,23942,25315,25316,25317,32260,36043,48177,48329,48351,48929,49623,49762,49978,50678,51055,51290,52825,53236,54860,57082
+[C:1](-[C:2](=[O:3])-[O:4])-[N:5]-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[O:9].[C:1](-[C:2](=[O:3])-[O:4])-[N:5]	42	1539,2516,2517,2518,3815,6450,8832,8886,10038,12043,12047,12048,12352,12355,15393,17226,18027,18038,18248,18251,18586,20068,21531,21961,23259,23260,23263,23746,23749,23773,23774,23839,26630,26636,30752,30753,40315,46812,47862,50030,51350,52228
+[O:1]-[N:2]=[C:3](-[C:4])-[c:5]>>[C:3](-[C:4])(-[c:5])=[O:6].[O:1]-[N:2]	42	4301,6080,7599,16035,23166,25260,25502,29775,33263,33359,33438,34319,38008,38084,38199,38539,44201,47020,47043,47048,47049,47053,47055,47056,47059,47065,47087,47098,47101,47102,47113,47114,47115,47117,47118,47134,47141,47152,47167,47171,47175,47182
+[c:1]:1:[c:2]:[c:3]:[n:4](-[C:5]-[c:6]):[c:7]:1:[c:8]>>[C:5](-[c:6])-[Br:9].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:7]:1:[c:8]	41	1594,2133,2134,2137,2138,3050,3234,3383,4727,6432,6519,6594,9924,12157,18628,19147,19788,27566,34542,36479,36481,38759,39445,44685,44692,48136,48137,48151,48428,49227,50227,51116,51132,51145,51146,51147,51152,51410,53043,54753,55864
+[c:1]-[C:2](-[C:3]-[C:4])-[C:5]>>[c:1]-[C:2](=[C:3]-[C:4])-[C:5]	41	2057,5555,7385,7387,7390,7835,9501,9503,15343,15352,16486,18913,22082,22400,22401,22409,22410,22413,22776,37369,38750,39138,39748,43805,43806,43843,45307,45610,48418,49091,50053,50614,51725,51983,52204,52382,53262,54034,54035,55347,55357
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[c:6]>>[C:3](=[O:4])(-[C:5])-[Cl:7].[C:1]-[N:2]-[c:6]	41	2341,2356,2379,2398,2412,2413,2415,2438,4310,9200,9964,10014,10184,10186,10592,10603,11767,12366,12367,12369,17326,19077,19082,21790,23068,23541,23699,26444,26458,29673,29859,36484,43986,43998,44004,44011,44021,44028,44031,44032,44033
+[N:1]-[c:2](:[c:3]:[n:4]):[c:6]:[n:5]>>[N+:1](-[c:2](:[c:3]:[n:4]):[c:6]:[n:5])(=[O:7])-[O-:8]	41	2909,6986,9476,9509,13487,15490,17690,20256,22710,22712,22833,23030,23869,27769,28820,29344,34260,37035,37036,39121,39122,39491,42523,42790,43308,43309,49786,50138,54996,54997,54998,56314,56608,56884,57146,57203,57210,57241,57295,57296,57297
+[n:1]:[c:2](-[C:3]-[O:5]):[c:4]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:8]-[C:7]-[C:6]):[c:4]	41	3056,3392,6784,7316,8839,11553,12843,18469,20678,25621,27414,27489,30883,30886,30887,31085,31155,31156,36411,36488,36823,38047,38051,38052,39183,39341,40131,45389,48949,49586,49749,50389,51148,53176,53499,54472,54798,55965,56309,56850,57339
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[Cl:8].[N:4]-[c:5](:[n:6]):[c:7]	40	1706,1709,1711,2295,2373,2435,7518,10509,10510,10613,10614,10619,10624,10631,11443,11709,12081,12137,12225,17329,17331,17332,17343,17355,17358,17361,17365,25379,25492,26388,29657,29828,29829,40337,42641,42758,42774,43974,51994,52223
+[c:1]:[c:2](-[Cl:3]):[c:4]>>[c:1]:[c:2]:[c:4].[Cl:3]-[N:11]-1-[C:6](=[O:5])-[C:7]-[C:8]-[C:9]-1=[O:10]	40	6159,7292,12992,16225,18355,20686,20792,21569,26404,27767,27928,28847,29415,29741,33441,36099,37940,38001,38586,39737,40325,42407,42480,42627,44325,44326,44338,44340,44342,44345,44346,44347,44349,44350,44353,44354,44360,44372,44379,44381
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:6])-[Br:7]	39	1263,1289,1290,1292,1338,1345,1352,1368,1370,1387,1402,1403,1405,2181,3827,3907,3944,4257,5788,10574,10949,15808,15809,15810,17133,17136,17139,17140,17142,17263,17266,17267,17269,17440,32242,37532,50322,52251,53448
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1):[c:9]>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1)-[Cl:10].[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13]	39	3568,5122,12657,12658,12661,20795,27423,35942,36983,37000,37005,37006,37011,37085,37086,37087,37631,37634,38448,38784,44680,46411,46425,46455,46491,46497,46504,46506,46521,46599,46650,46686,46709,48462,49604,50155,51908,53144,53425
+[C:1]-[C:2](-[N:3])=[S:4]>>[C:1]-[C:2](-[N:3])=[O:16].[S:4]=[P:26]-1(-[c:5]:2:[c:6]:[c:7]:[c:8](-[O:9]-[C:10]):[c:11]:[c:12]:2)-[S:13]-[P:23](-[c:22]:3:[c:14]:[c:15]:[c:19](-[O:18]-[C:17]):[c:20]:[c:21]:3)(=[S:24])-[S:25]-1	39	4940,7130,7289,11641,13406,13480,14547,16046,16178,19380,19849,20461,20704,22206,23280,25911,26478,36923,37382,40038,41696,43375,43377,44501,45660,48724,49459,49802,49856,52121,52123,53293,54235,54612,55381,55382,55383,55384,55387
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4]-[O:5]	39	5364,5371,27669,27729,34299,34667,36014,38444,38538,38679,39108,39685,39892,39980,40136,42416,43535,43621,46186,48309,48407,48517,48820,48992,49265,49475,51286,52751,52859,53032,54473,54636,55311,55640,55883,55954,56187,56699,57275
+[c:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:1]-[N:2].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:8]	39	5601,7535,9165,10523,10528,11327,14551,14552,15854,22717,27112,35933,36216,36353,38991,38992,39014,42611,42656,48549,48553,48613,48614,48615,48616,48618,48619,48621,48952,48953,48954,49001,51059,51259,51605,51645,54163,54856,56405
+[C:1]-[N:2](-[C:3])-[c:4](:[c:5]):[c:6]>>[C:1]-[N:2]-[C:3].[c:4](:[c:5])(:[c:6])-[Cl:7]	39	5819,9821,11093,12686,12698,12720,13662,13670,13671,13672,13866,14669,14680,14685,14686,14687,14834,15035,15072,15105,15226,15591,15598,15623,15629,15736,19663,19670,23809,24061,24080,32263,32562,32638,36038,36060,36061,36150,37766
+[c:1](:[n:2]):[c:4](:[c:3])-[Br:5]>>[c:1](:[n:2]):[c:4]:[c:3].[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11]	39	8078,8085,8144,8165,8235,8290,8331,8363,8392,8393,8401,8403,8407,8440,8444,8457,8463,8471,8473,8490,8502,8509,8510,8516,8529,8530,8532,8534,8564,8581,8629,8672,8702,8710,8749,8755,8761,8762,8768
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[Cl:6]	38	1083,1705,1720,2314,4016,4017,5139,5363,9199,10041,11331,11429,17177,17325,17582,19787,25062,25620,26454,27169,28544,28545,28614,28866,30496,37185,38054,38055,39302,43950,43960,43961,43980,43981,43985,44030,45937,52984
+[C:1]-[N:2]-[c:4](:[c:3]):[c:5]>>[C:1]-[N:2].[c:3]:[c:4](:[c:5])-[Cl:6]	38	4138,4439,4446,4468,4492,5236,5244,6393,7453,9872,10250,10834,11017,12382,12464,12466,12469,13231,22223,22238,24079,26509,26734,26751,26949,29551,29892,30137,32292,35881,35899,35907,36433,36482,42113,43324,48078,49097
+[C:1]-[C:2](-[N:4]-[C:3])=[O:5]>>[C:3]-[N:4].[C:1]-[C:2](=[O:5])-[O:9]-[C:7](-[C:6])=[O:8]	38	4482,6203,6239,8812,9238,9554,10247,11577,11635,13559,16351,16837,16852,16857,16873,16876,16882,16898,16901,16918,16940,16943,16963,16977,16978,17002,17009,17028,17037,17043,17066,17072,17074,17083,17087,17089,17092,43507
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](-[N:7])=[O:8]>>[C:1]-[C:2](=[O:3])-[O:9].[N:4]-[C:5]-[C:6](-[N:7])=[O:8]	38	4938,6886,6995,7481,9812,9898,10471,10864,11250,11645,12789,15405,15820,16420,17442,18082,18550,20131,21614,22026,23258,23289,23302,23310,23416,26466,26594,26615,43412,43413,44175,44866,46807,48488,50616,50617,50618,55905
+[c:1]-[C:2]-[N:3]-[c:4]>>[N:3]-[c:4].[c:1]-[C:2]=[O:5]	38	5607,5608,10566,11710,11730,13940,14184,17639,19236,20563,21787,29421,32467,32486,36349,38656,38681,42489,42548,42721,44630,44768,44801,45879,48371,48470,48471,48482,49092,49228,49634,50036,51595,51625,52631,52834,54095,56192
+[N:1]-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1>>[N+:1](-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1)(=[O:7])-[O-:8]	38	6309,10310,15278,19461,19967,20258,22327,23475,25705,25940,27878,29336,29938,30880,32371,34101,37446,39507,41592,41610,48099,48100,48178,48194,48217,48970,49013,49140,49836,50771,53386,54953,56783,57306,57326,57329,57336,57338
+[C:1](=[O:2])(-[C:3])-[O:4]>>[C:1](=[O:2])(-[C:3])-[O:4]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1	38	12301,13587,15781,15792,18052,18077,18489,18980,19877,19915,20520,20610,20642,21696,39486,52236,52328,52480,52481,52482,52483,52540,52542,52545,52546,52547,52550,55978,56212,56408,56409,56411,56413,56414,56475,56476,56477,56478
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5]:[c:6]:[n:7])-[C:8]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[O:9].[C:1]-[N:2]-[C:8]	37	1921,1922,1929,1940,3094,5318,7877,9787,10431,12649,12729,13027,13881,13887,14313,14696,14733,15246,15248,15491,15578,15768,16380,19671,19696,19714,19716,20579,20580,20581,25614,28794,31971,32694,34240,37278,37279
+[n:1]:[n:2]:[c:3](-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[n:1]:[n:2]:[c:3](:[c:7])-[Cl:8]	37	3437,7356,7369,7374,9195,9613,9716,9789,10822,10823,11106,11520,11950,12786,13540,14750,14906,14916,15002,15074,15201,15216,15750,18408,18880,19640,19715,26538,28684,29593,32678,38600,38611,39766,41661,41666,51149
+[C:1]-[C:2]-[C:3]-[c:4]>>[C:1]-[C:2]#[C:3]-[c:4]	36	2186,2187,2189,9317,10505,12916,14634,16479,17282,17283,17810,23827,24284,25255,28691,32248,34577,35886,36312,36526,43487,45212,49505,51353,51646,51823,51918,53509,53510,53511,54168,54231,54376,55438,55903,57363
+[c:1]:[c:3](:[c:2])-[C:4](-[C:5])=[O:6]>>[c:1]:[c:3]:[c:2].[C:4](-[C:5])(=[O:6])-[O:7]	36	2476,2477,3807,6259,6456,9127,9129,13161,26392,26653,26873,29831,29834,33482,33491,36455,40270,43069,46797,48355,48490,48638,49375,49839,50106,50702,51084,51527,51552,51715,51984,51996,51997,52935,54758,55489
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:7](-[O:6]-[C:5]-[C:4])=[O:8]	36	3294,3299,3300,7018,7047,9830,9831,11540,11573,13146,13188,13195,13197,13523,13543,13645,13931,13933,13983,13984,13985,14070,16086,16111,31956,35943,43846,48301,50110,52429,52677,53732,53753,53874,54726,56138
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2]#[N:3].[O:4]-[O:5]	35	1526,3371,7995,9505,9506,9520,12420,15486,17651,17653,18518,20507,24191,27120,27440,32411,36245,36440,39972,40616,41651,45704,47256,47258,47263,47267,47270,47279,47281,47289,47295,47305,47317,47319,47321
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](=[O:3])-[O:6]-[C:5]-[C:4]	35	3223,3227,3237,3238,3265,3266,3515,7677,27056,27571,30862,31124,33410,34392,34579,39279,48322,49268,49328,49400,49914,50321,53478,53652,53654,53841,54429,54974,54986,55012,55672,56244,56890,56896,57193
+[c:1]:[c:2](:[n:3]:[n:4])-[Cl:5]>>[c:1]:[c:2](:[n:3]:[n:4])-[O:10].[Cl:5]-[P:7](=[O:6])(-[Cl:8])-[Cl:9]	35	9099,12537,27738,33394,34743,35191,35195,35214,35228,35277,35282,35303,35304,35311,35324,35347,35355,35391,35416,35419,35427,35429,35433,35436,35437,35445,35446,35447,35450,35456,35458,35481,35490,35522,35538
+[C:1]-[O:2]-[C:5](-[C:4]-[C:3])-[O:6]>>[C:1]-[O:2].[C:3]-[C:4]=[C:5]-[O:6]	34	1060,3806,4063,4143,4150,4158,4176,4246,5267,5347,5349,6125,7784,25881,25928,26203,27537,33489,43732,43736,43738,43749,43750,43758,43759,43760,43761,43762,43763,43764,43767,43770,43771,43773
+[C:1]=[C:2]-[C:3]-[O:4]-[c:5]>>[O:4]-[c:5].[C:1]=[C:2]-[C:3]-[Br:6]	34	3292,3588,3590,3594,3598,3599,3603,3607,3608,3609,3610,3612,3617,3618,3619,3620,3621,3623,3624,3625,3629,3630,3631,3632,3633,3634,3635,3638,3641,3644,3647,3648,3653,3654
+[C:1](-[C:2])-[Cl:3]>>[C:1](-[C:2])-[O:7].[Cl:3]-[S:5](=[O:4])-[Cl:6]	34	4190,4252,4254,4298,5222,5436,5969,9858,13166,15817,16074,16497,25429,25767,29469,29764,35610,35629,35702,35735,35737,35741,35750,35757,35774,35782,35798,35821,35824,35825,35836,35844,35846,35849
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])(-[c:5])-[Cl:7].[c:1]:[c:2]:[c:6]	34	4783,6381,7078,7079,33319,33413,33423,33509,36321,36520,37519,40054,40283,43583,45158,45570,48238,48955,49161,49162,49165,49987,49988,50410,50569,50736,50738,51544,52826,52933,52934,52953,53607,55785
+[C:1](-[c:2]:[c:4]:[n:3])-[Br:5]>>[C:1]-[c:2]:[c:4]:[n:3].[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11]	34	6356,8066,8067,8149,8153,8155,8185,8245,8283,8342,8356,8449,8475,8477,8500,8515,8540,8548,8549,8550,8586,8601,8605,8608,8613,8637,8641,8649,8675,8715,8721,8757,8765,8774
+[C:1]-[N:2](-[C:3]-[C:4](=[O:5])-[N:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](-[C:4](=[O:5])-[N:6])-[Cl:8]	33	1258,6752,6928,6930,7060,7280,7667,9455,9752,12668,12669,12707,12708,12754,13971,14297,14675,14690,15011,15081,15123,15131,15241,15596,15597,15665,15893,16167,32618,32662,32680,49187,56924
+[C:1]-[C:2](=[O:3])-[O:4]-[c:5]>>[O:4]-[c:5].[C:1]-[C:2](=[O:3])-[O:9]-[C:7](-[C:6])=[O:8]	33	1880,6909,11836,16848,16855,16866,16879,16884,16915,16921,16927,16932,16933,16946,16947,16957,16976,16980,16984,16991,17001,17003,17032,17034,17038,17054,17055,17056,17063,17068,17075,17076,17081
+[C:1](=[O:2])(-[c:3](:[n:4]):[c:5])-[O:6]-[C:7]>>[C:1](=[O:2])(-[c:3](:[n:4]):[c:5])-[O:8].[O:6]-[C:7]	33	1882,1883,27137,30314,30353,30413,30416,30424,30426,30434,30465,30503,30512,30514,32775,32779,32789,32896,32910,32911,32942,32953,32955,32998,33047,33056,33057,33058,33060,33068,33139,33187,37907
+[s:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[s:1]:[c:2](-[C:3](=[O:4])-[O:8]):[c:7].[N:5]-[C:6]	33	3280,4391,4399,4450,4976,6321,6701,6703,6704,6796,6798,10146,11399,12619,14644,17790,26969,28617,29976,30983,31326,38434,38435,38437,39637,39638,41758,49704,49705,49726,49727,51452,54770
+[P:1]-[O:2]>>[P:1]-[O:2]-[C:3]-[C:4]	33	3472,3509,3512,3513,4672,5974,6017,6018,9002,11084,26627,31215,31228,31229,40002,41429,43423,43438,43439,43450,45544,48469,49930,49931,50333,53007,53008,54436,54437,55671,55683,57095,57177
+[C:1](-[c:2])-[Cl:3]>>[C:1](-[c:2])-[O:6].[Cl:3]-[C:5]-[Cl:4]	33	11281,13918,17736,25113,25536,25714,28570,28862,33405,35062,35063,35064,35066,35067,35070,35073,35078,35088,35094,35099,35100,35102,35110,35115,35116,35117,35121,35124,35128,35129,35131,35132,35134
+[c:1]:[c:2](-[N:3]-[c:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:6].[N:3]-[c:4]	33	11314,12609,14009,14544,18624,21470,24362,26155,34093,34094,34095,36122,36123,36759,37468,37632,38579,38580,42430,42701,42711,43290,44304,45587,50674,50786,50855,50856,50857,51022,51915,52833,52839
+[C:1]-[C:2](-[C:3])-[N:4]-[c:5]>>[C:1]-[C:2](-[C:3])=[O:6].[N:4]-[c:5]	32	2252,2567,3795,9879,10156,10162,10166,10169,10171,11671,12335,13355,16004,18943,20224,22508,22515,22523,22528,22529,24748,25470,26308,26337,26339,26618,29646,39167,43581,43834,45919,52841
+[C:1]-[N:2]-[c:3](:[c:4]):[n:6]:[n:5]>>[C:1]-[N:2].[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:7]	32	4466,6674,7568,7570,9424,9427,9999,10000,10001,10002,10003,11385,22010,22641,23493,23535,23544,23545,23546,23547,26184,26210,26537,26968,27232,29899,32504,39669,41821,49212,55643,56251
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+[c:1](:[c:2]:[n:3])(:[c:4])-[B:6](-[O:5])-[O:7]>>[c:1](:[c:2]:[n:3])(:[c:4])-[Br:8].[O:5]-[B:6](-[O:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	31	1730,9270,11888,12546,15468,17511,27646,27808,27827,27941,28000,28014,28045,28058,28060,28062,28085,28087,28088,28093,28131,28134,28156,28182,28185,28246,28250,28251,28253,28274,28275
+[c:1]:[c:2](-[I:3]):[c:4]>>[c:1]:[c:2]:[c:4].[I:3]-[N:8]-1-[C:6](-[C:5]-[C:11]-[C:10]-1=[O:9])=[O:7]	31	1878,33383,34557,35990,36039,36059,36449,38383,39178,40390,41556,44190,44390,44391,44392,44397,44398,44400,44403,44404,44410,44411,44412,44414,44416,44417,44424,44429,44430,44431,44433
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])-[O:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13]	31	3125,9692,10336,12761,12829,13022,13868,13904,14694,14738,15197,15198,15199,15211,15237,15545,15628,20324,20329,25686,29560,29569,30942,31902,32600,32688,41680,46096,52289,53983,53985
+[C:1](-[C:2])-[O:3]>>[C:1](-[C:2])=[O:3]	31	3687,9299,9340,11509,11643,11644,12143,12895,15989,21931,22493,22806,24889,25823,25865,37598,39458,40278,45263,49071,49740,50152,51678,52001,52797,53462,54257,56443,56985,57305,57380
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+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[c:8]:1>>[O:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[Cl:9]	31	7697,10894,12927,20763,21421,35941,36023,36024,36025,36385,36891,40288,42421,42422,42423,42440,42829,42830,42831,44703,48595,48601,49214,49733,50157,50169,50703,51214,52279,55524,55525
+[S:1](=[O:2])(=[O:3])(-[c:4](:[c:5]):[c:6])-[Cl:7]>>[c:4](:[c:5]):[c:6].[S:1](=[O:2])(=[O:3])(-[Cl:7])-[O:8]	31	11585,33535,36747,39898,44292,45645,45731,45737,45738,45739,45744,45745,45747,45749,45753,45755,45758,45759,45760,45762,45765,45766,45768,45769,45770,45771,45777,45778,45779,45780,45782
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]:[n:7]>>[c:1]:[c:2](:[c:6]:[n:7])-[Br:8].[N:3](-[C:4])-[C:5]	30	1093,1140,1141,1142,1192,2873,3362,7661,10927,12679,13665,14713,14734,15053,15088,15103,15538,15611,15682,15772,18572,18714,19669,19719,23044,24896,25008,29597,54575,54793
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:9].[c:1]:[c:2](:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	30	1121,21411,23567,27761,27762,27898,28320,28321,28328,28334,28335,28377,28378,28397,28400,28458,28949,28960,28971,29027,29041,29052,29053,29055,29093,29096,29136,29138,29202,29218
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8].[N:6]-[c:7]	30	1919,1933,1936,1937,11194,13648,18528,18879,25022,27067,29354,31346,32458,34396,34679,36751,38112,38366,39027,39744,39904,40015,40597,48363,48414,48526,48527,51653,52909,54867
+[c:1]:[c:2](-[C:3](-[N:4])=[O:5]):[n:6]>>[c:1]:[c:2](-[C:3](=[O:5])-[O:7]):[n:6].[N:4]	30	1951,3476,6759,10298,11809,16061,25026,25450,28726,38035,40612,40650,40668,40670,40671,40672,40678,40716,40717,40739,40774,40785,40791,40820,40821,40845,40912,40920,40941,40963
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+[c:1]:[c:2](-[N:3]-[C:4]):[c:5]>>[N:3]-[C:4].[c:1]:[c:2](:[c:5])-[Br:6]	30	5790,9425,10305,12487,14411,17783,18060,18061,18659,18897,19062,19067,22234,24682,24797,25205,25993,27015,28850,29895,32326,34292,36169,36827,48497,49215,51557,53188,53702,53900
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+[c:1]:[c:2](-[C:3]#[C:4]-[Si:7](-[C:6])(-[C:8])-[C:9]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:10].[C:3]#[C:4]-[Si:7](-[C:6])(-[C:8])-[C:9]	29	7471,7687,10458,13501,17900,21739,26116,27267,29407,29446,29450,29491,29492,30236,33656,33657,33666,33673,33678,33688,33691,33697,33698,33699,33702,33703,33704,33707,33714
+[C:1]-[N:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2]-[C:9].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:10]	29	9622,12693,12700,12739,12780,12781,13029,13770,13806,13831,13867,14698,14781,14789,15014,15097,15590,15681,16221,19624,20152,20197,23517,23619,23629,32572,32609,36893,49793
+[C:1](-[O:2])-[C:3]-[O:4]>>[C:1]-1-[O:2]-[C:6](-[O:4]-[C:3]-1)(-[C:5])-[C:7]	29	11256,14583,17652,17657,23799,24685,25635,25939,26591,27275,29323,29325,29326,29327,29328,29330,29332,29355,37820,38556,38592,39715,39728,52794,53494,53618,54509,55238,55349
+[c:1]:1:[c:2]:[c:3](-[N:4]):[n:5]:[c:6]:[n:7]:1>>[c:1]:1:[c:2]:[c:3](:[n:5]:[c:6]:[n:7]:1)-[Cl:8].[N:4]	29	19248,34696,34698,36988,36998,38782,39103,39534,40677,40696,40736,40744,40776,40777,40778,40784,40793,40799,40817,40857,40911,40992,40993,40994,40995,40996,40997,40998,41006
+[C:1]-[C:2]-[O:3]-[c:4]>>[O:3]-[c:4].[C:1]-[C:2]-[O:13]-[S:10](-[c:9]:1:[c:8]:[c:7]:[c:6](-[C:5]):[c:15]:[c:14]:1)(=[O:11])=[O:12]	28	1046,3229,6293,6457,11893,14107,16325,16366,19091,26186,33544,36802,39349,41331,42424,44643,45872,46092,46094,50061,51019,51225,51650,53437,53976,53980,53982,53986
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1):[c:8]>>[c:3]:1(:[c:4]:[c:5]:[c:6]:[s:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	28	1166,1167,1168,1240,1244,1247,1248,1250,1256,1257,5709,6097,20653,20654,21495,22672,23118,26797,38159,39369,41580,43248,45268,45707,46454,46596,46622,51890
+[c:1](:[n:2]):[c:3]-[C:4]-[O:5]>>[c:1](:[n:2]):[c:3]-[C:4]=[O:5]	28	2058,9007,10954,17391,24939,25497,25498,25506,28855,28864,34322,43557,44679,44681,44741,44746,44747,44754,44755,44786,44789,44798,48943,49695,50278,51135,52666,57018
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]#[N:7].[O:4]-[C:6]-[C:5].[O:3]	28	2203,3576,16129,19388,26755,27629,30309,30316,30319,30323,30332,30354,30357,30358,30366,30367,30368,30369,30371,30372,30373,30374,30375,30380,30381,30382,30386,30387
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:8]-[C:7]-[C:6]	28	3054,4431,4458,4494,4495,4585,5474,5475,5597,5619,5628,5634,6488,9955,10379,12465,13979,22445,29295,30749,34993,38646,38686,39299,41852,41889,41931,49297
+[C:1](=[O:2])-[O:3]-[C:4]>>[C:1](=[O:2])-[O:3].[C:4]-[I:5]	28	3655,6360,20116,24412,27111,31384,31396,31412,31416,31431,31434,31439,31493,31507,31518,31541,31565,31601,31606,31612,31619,31621,31626,31635,31669,31694,31723,31765
+[C:1]-[N:2]>>[C:1]-[N:2]-[C:7]-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:9]:[c:8]:1	28	9360,9383,17806,18592,18649,18784,18939,19352,21808,22040,22086,22377,22441,24793,34222,37401,37436,37593,52451,52454,52455,52457,52900,55666,56394,56401,56402,57317
+[c:1]-[C:2]#[N:3]>>[c:1]-[C:2](-[N:3])=[O:4]	28	9965,21685,25354,25448,34555,41973,41982,42082,43280,44095,44096,44766,45976,46296,48203,49210,49381,49438,50225,50347,50547,51426,52606,54029,54901,55718,56365,57252
+[c:1]:[c:2](-[N:3]-[c:4]):[c:5]>>[N:3]-[c:4].[c:1]:[c:2](:[c:5])-[F:6]	28	16241,27665,27774,36153,39235,40286,40305,42492,42553,45721,47808,48071,48072,48073,48076,48360,48662,49020,49021,49131,50582,50633,50671,50794,50795,51095,52838,53550
+[O:1]=[S:2](=[O:3])(-[c:4])-[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[n:9]>>[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[n:9].[O:1]=[S:2](=[O:3])(-[c:4])-[Cl:11]	27	1066,1097,1586,12020,14356,19347,23670,27334,33350,34389,35953,40280,45466,48140,48143,48144,48152,48156,48160,48170,48484,48578,49208,49232,50599,51808,52824
+[C:1](-[C:3]=[C:2]-[N:4])=[O:5]>>[C:1](-[C:3])=[O:5].[C:2](-[N:4])(-[O:7]-[C:6])-[O:8]-[C:9]	27	1627,6706,11773,27888,27961,36140,38909,39686,39800,43155,43156,43158,43160,43162,43163,43165,43166,43168,43169,43170,43171,43172,43174,43180,43184,43185,43188
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[O:1]-[C:2](=[O:3])-[Cl:8].[N:4]-[c:5](:[n:6]):[c:7]	27	1799,2904,6925,15885,17167,25143,25397,25398,25400,25486,25489,25751,25754,26699,27332,27722,30820,38806,42539,43498,49712,49819,53889,55959,55973,56927,56953
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[O:2].[C:3](=[O:4])(-[c:5])-[Cl:6]	27	2893,2947,3950,4159,4251,4771,5291,5455,6601,6807,10063,21809,22292,25864,28612,30330,32801,33075,33882,46300,49255,52472,53606,54124,54407,55253,56047
+[c:1]-[C:2](=[O:3])-[N:5](-[O:4])-[C:6]>>[c:1]-[C:2](=[O:3])-[O:7].[O:4]-[N:5]-[C:6]	27	3079,6348,6364,18257,27906,33370,33567,34455,36115,36213,36314,38465,38486,38956,39137,39232,41496,41500,41505,41508,41511,41513,41514,41520,41521,41523,41550
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1](:[c:2])(:[c:3])-[Br:7].[O:4](-[B:5](-[O:6]-[C:15](-[C:16])-[C:17])-[O:11]-[C:9](-[C:8])-[C:10])-[C:12](-[C:13])-[C:14]	27	3081,4009,8002,17378,19565,24694,26850,27182,27183,27186,27188,27190,27192,27193,27194,27198,27199,27200,27202,27203,27204,27206,27207,27208,27212,27213,27215
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]-[N:2].[C:3](=[O:4])=[N:5]-[c:6]	27	3462,4323,4959,4961,5233,7681,10009,12470,13469,15936,18680,19351,20498,22640,22654,23049,23081,24670,25627,25628,25661,29340,43677,48130,48674,49406,52574
+[C:1]-[C:2](=[O:3])-[O:4]-[C:6]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:4].[c:5]-[C:6]-[Br:7]	27	3474,6093,6331,6583,9212,16267,18213,21431,22798,23047,23233,23427,23435,25888,34420,40079,44117,44121,44134,44149,44160,44163,47336,48145,53441,55047,56195
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2]-[Cl:5].[N:3]-[C:4]	27	4413,4416,4432,4448,4681,5239,6063,10533,12463,15456,17789,22031,24406,29757,33502,37452,41816,41879,41887,41893,41904,41916,41957,41968,48367,48914,56280
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[O:9]-[S:6](-[C:5])(=[O:7])=[O:8]	27	4415,4973,5243,6538,7310,8863,10839,17501,18458,19443,23417,29193,30158,30165,30166,34224,37581,38440,39053,39250,41798,41800,41891,41917,45392,52895,53678
+[c:1]:[c:2](:[c:3]):[n:9]:[c:5](:[c:4])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[c:1]:[c:2](:[c:3]):[n:9]:[c:5](:[c:4])-[Cl:10]	27	4511,4512,7315,7761,7787,7788,7789,7803,8953,9018,9615,9665,14812,14920,15016,15052,15070,15128,15553,15688,15751,19683,23632,24772,32642,36269,41668
+[n:1]:1:[c:2]:[c:3](-[C:4]=[O:5]):[c:6]:[c:7]:1>>[n:1]:1:[c:2]:[c:3]:[c:6]:[c:7]:1.[C:4](=[O:5])-[N:9](-[C:8])-[C:10]	27	12158,19800,20344,27373,31087,32037,32060,32074,32075,32083,32136,32140,32141,32142,32167,32172,32176,32184,32192,32200,32218,32220,32221,32222,32230,32233,32234
+[C:1](-[C:2]-[Br:4])=[O:3]>>[Br:4]-[Br:5].[C:1](-[C:2])=[O:3]	26	135,138,174,203,232,234,251,294,297,298,306,318,321,325,342,350,356,362,366,370,395,409,414,426,458,466
+[c:1]-[O:2]-[C:3](-[C:4](=[O:5])-[O:6])-[C:7]>>[C:3](-[C:4](=[O:5])-[O:6])(-[C:7])-[Br:8].[c:1]-[O:2]	26	778,2508,2509,2510,2511,2512,2791,2793,2795,2796,2797,2799,2801,2802,2803,3281,10650,21498,26410,29696,29697,30569,38137,43350,43351,43352
+[s:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[n:7]>>[s:1]:[c:2](-[N:3]):[n:7].[C:4](=[O:5])(-[C:6])-[Cl:8]	26	1871,2382,2399,3925,4754,4755,5877,5881,7513,10596,10600,10604,10606,10625,12396,13637,14540,20716,24052,26197,29682,37290,39339,43991,44020,44027
+[C:1]-[C:2]-[N:3]-[c:4]>>[N:3]-[c:4].[C:1]-[C:2]=[O:5]	26	2029,2034,2035,2043,8964,10466,19441,19912,19949,20063,20228,23286,23288,24732,26552,26553,28764,29845,29846,29865,36136,41590,44588,44595,52264,52517
+[n:1]:[c:2](-[C:3]=[C:4](-[C:5](=[O:6])-[N:7])-[c:8]):[c:9]>>[n:1]:[c:2](-[C:3]=[O:10]):[c:9].[C:4](-[C:5](=[O:6])-[N:7])-[c:8]	26	3057,6090,7074,7163,7777,7778,7781,12825,12830,12831,13222,14953,15821,30245,30246,30251,30252,30253,31967,36522,41652,44647,44649,48661,49903,49904
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5].[C:1]-[C:2](=[O:3])-[O:6]	26	3803,3830,8996,16282,16283,16284,16286,16288,16291,16293,16294,20549,23447,26601,31208,31209,33265,34201,45535,47044,47143,47145,47149,47159,47173,52277
+[C:1]-[N:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])=[O:7].[C:1]-[N:2]	26	4578,4992,4993,5012,9977,9980,13292,14121,15961,16166,18483,19422,20487,26437,30194,33591,33597,34104,37404,41779,41782,41784,41874,41944,49184,49465
+[n:1]:[c:2]:[c:3]-[C:4]-[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:7]-[C:6]	26	6396,7627,15879,25302,26724,26835,32515,33288,34672,34720,35935,36013,39222,39265,39278,42392,48406,50134,54496,54615,54644,55852,57102,57219,57307,57308
+[c:1]-[C:2](-[N:3]-[N:4])=[O:5]>>[c:1]-[C:2](=[O:5])-[O:7]-[C:6].[N:3]-[N:4]	26	6500,6569,10017,14473,33598,34414,38724,38836,39322,39619,42167,42180,42192,42209,42227,42246,42257,42261,42262,42265,42269,42281,42282,42283,42284,42298
+[c:1]-[O:2]-[C:3]>>[c:1]-[O:2].[C:3]-[O:9]-[S:6](-[O:5]-[C:4])(=[O:7])=[O:8]	26	7563,8829,10359,10969,16047,27934,29428,34315,34430,35892,36448,38007,44656,45244,45829,45831,45832,45836,45837,45840,45842,45843,45846,45848,45849,45850
+[C:1]-[C:2](-[N:3]=[N+:6]=[N-:5])-[C:4]>>[C:1]-[C:2](-[C:4])-[O:11]-[S:8](-[C:7])(=[O:9])=[O:10].[N-:3]=[N+:6]=[N-:5]	26	7615,10960,18078,18413,18854,18855,20406,21964,22003,22332,22436,23235,23338,45190,45191,45192,45194,45826,45854,47944,47948,47966,47989,47995,48042,48047
+[C:1](-[c:2](:[n:3]):[c:4])-[Br:5]>>[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[C:1]-[c:2](:[n:3]):[c:4]	26	8183,8194,8242,8250,8257,8264,8266,8281,8307,8313,8348,8352,8355,8470,8518,8519,8525,8535,8536,8576,8577,8594,8625,8644,8743,8763
+[N:1]#[C:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:8]-[S:5](=[O:6])(=[O:7])-[C:9].[N:1]#[C:2]	26	12057,12065,12400,18804,18961,20019,20103,22136,22606,23533,24460,24802,24874,24880,26221,34074,37395,39719,39723,41023,41024,41025,41026,41032,41039,41175
+[n:1]:[c:2]:[c:3](-[Br:4]):[c:5]>>[n:1]:[c:2]:[c:3]:[c:5].[Br:4]-[Br:6]	25	123,157,167,184,204,219,244,246,249,254,259,263,269,279,287,320,330,340,376,381,394,433,450,451,452
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[C:5](-[Br:4])(-[Br:6])-[Br:7].[c:1]-[C:2]-[O:8]	25	481,482,483,488,500,501,504,505,508,511,518,522,526,532,540,542,546,547,548,554,558,559,560,562,564
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5](-[C:6])-[C:7]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:8].[N:5](-[C:6])-[C:7]	25	640,644,646,649,651,652,654,667,12692,14777,16020,18011,18110,18125,18153,18186,23998,25349,30639,30644,30648,30684,30688,30707,43236
+[c:1]:[c:2](-[O:3]-[c:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:6].[O:3]-[c:4]	25	1057,1064,3260,23216,24283,27664,27969,34525,36441,38661,38709,39726,44467,45646,48068,48655,50700,50980,50982,50985,51522,51583,52921,52927,53226
+[c:1]:[c:3](:[c:2])-[c:4](:[c:5]):[c:7]:[n:6]>>[c:1]:[c:3](:[c:2])-[Br:8].[c:4](:[c:5])(:[c:7]:[n:6])-[B:10](-[O:9])-[O:11]	25	1070,5010,7258,7964,10245,25335,27442,27651,28816,33821,36439,37976,45249,46430,46445,46483,46484,46485,46573,46756,46761,46766,46768,46771,46772
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10](-[C:9])=[O:11].[N:4]-[C:5]	25	1242,3052,3053,7766,9224,9226,9227,10981,11479,12187,13462,13463,13464,19087,20002,20244,20248,22191,22665,27099,28671,32327,46934,48505,49679
+[c:1]-[C:2]=[C:3]-[C:4]=[O:5]>>[c:1]-[C:2]=[O:6].[C:3]-[C:4]=[O:5]	25	1470,1471,1472,1473,2048,14433,17848,21609,25197,25554,25590,26284,32485,36291,36829,39635,44765,44767,48325,48444,49303,49321,51724,51926,54122
+[C:1]-[C:2](-[N:3]-[c:4]:[c:5]:[n:6])=[O:7]>>[C:1]-[C:2](=[O:7])-[Cl:8].[N:3]-[c:4]:[c:5]:[n:6]	25	1708,1712,2344,2345,2347,2418,3027,3893,4647,10185,10598,10615,12084,17284,17363,17364,23614,23615,28831,36909,38596,43327,43328,43329,43330
+[c:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1>>[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1.[c:1]-[C:2]-[Br:8]	25	1886,5899,6838,17861,28754,29487,30019,30878,31127,31172,34700,38355,38360,38433,44468,48186,48483,48669,48670,48671,48672,49190,50584,51002,56781
+[N:1](-[C:2]-[C:3])=[N+:5]=[N-:4]>>[C:2](-[C:3])-[Br:6].[N-:1]=[N+:5]=[N-:4]	25	2099,2105,5954,15832,19829,22903,23443,23821,32530,40016,41409,41413,43440,43444,43447,43590,44849,47897,47930,47942,48005,48013,48015,48046,48054
+[c:1]:[c:2](-[C:3]#[C:4]-[Si:7](-[C:6])(-[C:8])-[C:9]):[c:5]>>[c:1]:[c:2](:[c:5])-[I:10].[C:3]#[C:4]-[Si:7](-[C:6])(-[C:8])-[C:9]	25	3086,3256,4213,5997,10477,12959,24064,24276,27690,27968,33664,33665,33668,33677,33681,33682,33683,33687,33693,33701,33705,33706,33710,33712,33715
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[n:8]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:9]):[n:8]	25	3164,3438,4590,6384,10452,10537,12814,18378,20838,22077,22310,25991,26006,26616,31318,33962,33963,33964,39085,40378,40379,41772,41900,48793,49498
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[I:6].[c:1]-[O:2]	25	3204,3671,5434,6939,11302,12161,12163,23214,26905,26907,26908,26909,26914,26915,26917,26918,26919,26920,26922,26923,26928,26929,26931,26932,26936
+[n:1]:[c:2](-[C:3](-[N:4])=[O:5]):[c:6]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:9]-[C:8]-[C:7]):[c:6].[N:4]	25	3276,3353,6638,11420,20832,25957,26093,26211,27144,27642,30859,32463,32502,34443,36289,37895,39592,39668,40775,40840,40843,40922,40924,40961,40971
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[n:6]):[c:7])=[O:8]	25	5304,5633,6915,9803,10242,12772,13008,13674,13897,14707,14801,15577,15732,15773,18416,18418,18420,23851,29602,32584,32586,32617,32641,49584,49592
+[C:1]-[C:3](-[C:2])-[N:4]>>[C:1]-[C:3](-[C:2])=[O:5].[N:4]	25	7056,7443,7451,7908,9235,9391,9439,9996,18701,18888,18942,22117,22800,26441,26577,36186,37390,37872,38632,39572,40796,40856,40861,40906,40950
+[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:[c:9]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[n:2]:[c:3]:[c:4](:[n:8]:[c:9]:1)-[Cl:10]	25	7632,7669,9707,9867,13153,13598,13703,13819,14658,14836,15658,16216,16395,19665,19681,19700,23004,23633,23660,27098,32623,36737,41662,52730,56887
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:5](=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]	25	8008,21670,37207,37208,37210,37217,37218,37220,37224,37227,37231,37233,37234,37235,37469,37483,37484,37491,37494,37495,37501,37503,37505,37507,38648
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:10]-[C:8](-[C:7])=[O:9]	25	9646,9669,9777,11126,11612,13800,13801,16830,16832,16902,16922,16969,16975,16993,17004,17005,17012,17019,17035,17069,17079,17086,17099,17110,44463
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:8]>>[c:6](:[c:7])(:[c:8])-[Br:9].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[B:14]-2-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-2)(-[C:17])-[C:18]	25	9837,9844,10338,11962,12900,14295,26993,27302,28518,28520,28521,28522,28524,28530,28980,28982,28983,28984,28985,29256,29263,29266,29268,29291,29292
+[O:1]-[c:2]:[c:4]:[n:3]>>[O:1](-[c:2]:[c:4]:[n:3])-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1	25	12873,18306,18307,22338,23295,25097,25612,27313,39239,52649,52651,55397,56627,56689,56692,56693,56695,56696,56697,56698,56779,56831,56866,56867,56872
+[c:1](:[n:2]):[c:3]-[N:4]-[S:5](=[O:6])(=[O:7])-[c:8]>>[c:1](:[n:2]):[c:3]-[N:4].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:9]	25	12961,24168,27683,34662,38917,38918,38919,39043,42434,42571,42572,42629,45449,45450,45452,45455,45470,45489,45503,45507,45941,46160,49737,51886,56997
+[c:1](:[c:2]):[n:8]:[c:4](:[c:3])-[N:5](-[C:6])-[C:7]>>[c:1](:[c:2]):[n:8]:[c:4](:[c:3])-[Br:9].[N:5](-[C:6])-[C:7]	24	1118,1123,1211,7810,7936,9432,9723,12748,12771,13663,13755,14910,15026,15481,16196,18662,19129,19468,19673,20327,27048,39909,41667,48809
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:7].[N:5]-[c:6]	24	1637,1640,1641,1645,1647,1648,1649,1652,1655,1656,1657,1658,1659,1660,1662,1665,1668,1674,1678,1679,1680,12628,14321,51566
+[C:1](-[C:2])(-[O:3]-[C:4])=[O:5]>>[C:1](-[C:2])(-[O:3])=[O:5].[C:4]-[I:6]	24	1697,4021,10525,13162,18927,19982,22252,22299,23253,23262,23845,24186,24879,25839,26758,31664,31667,31709,31745,31780,31806,31822,31829,31839
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[c:1]-[N:2]=[C:3]=[O:4]	24	3433,3542,3543,8033,8039,12730,13795,14749,14886,15054,18351,22303,22471,25692,29879,30857,39009,39423,39426,39524,40631,43115,50560,51190
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2](=[O:4])-[O:6]-[C:5].[N:3]	24	3559,7939,10348,13060,18094,18542,19995,20202,27027,31957,32436,32446,32450,37132,40656,40767,40830,40880,40898,40914,40939,40960,41001,41008
+[C:1]-[O:2]-[Si:3](-[c:4])(-[c:5])-[C:6]>>[C:1]-[O:2].[Si:3](-[c:4])(-[c:5])(-[C:6])-[Cl:7]	24	3793,4166,4250,4546,7050,7143,7610,9223,9947,14859,15276,16483,17217,25824,25927,33385,43725,43930,47002,49266,49699,53073,53074,53075
+[O:1]=[C:2](-[O:3])-[c:4]>>[C:2](-[c:4])#[N:7].[O:3]-[C:6]-[C:5].[O:1]	24	4551,14036,26100,27339,30297,30299,30317,30324,30344,30350,30355,30356,30359,30360,30361,30362,30363,30364,30365,30370,30376,30378,30379,30383
+[c:1]-[C:2](-[N:3]-[c:4](:[c:5]):[n:6])=[O:7]>>[c:1]-[C:2](=[O:7])-[Cl:8].[N:3]-[c:4](:[c:5]):[n:6]	24	4780,6195,6458,14260,24320,29107,29108,31091,31092,34752,36003,36930,38363,38388,42667,42777,48579,49163,49573,49626,50123,53688,55126,55800
+[n:1]:[c:3](:[c:2])-[C:4]#[N:5]>>[n:1]:[c:3](:[c:2])-[C:4](-[N:5])=[O:6]	24	6158,11283,11807,12999,27136,32466,34532,39588,48380,49939,50143,50258,51088,51357,52182,52801,53018,53271,55632,55703,55805,56782,57237,57323
+[N:1](-[C:2]-[C:3])(-[C:4]=[O:5])-[C:8]=[O:7]>>[C:2](-[C:3])-[O:6].[N:1](-[C:4]=[O:5])-[C:8]=[O:7]	24	6493,7274,12986,13285,16052,19053,20008,20139,22392,22472,37562,41634,46267,50107,50459,50626,52202,54778,55817,55818,55819,55822,55823,55827
+[c:1]-[N:2]=[C:3]=[S:4]>>[c:1]-[N:2].[C:3](=[S:4])(-[Cl:5])-[Cl:6]	24	10400,11376,11825,17273,25742,25783,25784,34970,34971,34972,34973,34974,34975,34976,34978,34979,34980,34981,34984,34985,34986,34987,34988,34989
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:7](=[O:6])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	24	13986,17443,18990,20259,20281,21528,21576,21658,22126,22179,23997,25790,31883,38133,51995,56432,56436,56440,56449,56516,56529,56538,56539,56540
+[c:1]-[C:2](=[O:3])-[c:4]>>[c:1]-[C:2](-[O:3])-[c:4]	24	17383,17394,17400,17536,17549,33996,36135,39414,40256,40311,46880,49079,49410,50732,50976,51174,51212,51655,52071,53088,53802,54423,56073,56074
+[c:1]-[S:2](-[N:3])(=[O:4])=[O:5]>>[c:1]-[S:2](=[O:4])(=[O:5])-[Cl:6].[N:3]	24	38032,39767,40681,40682,40683,40684,40685,40686,40687,40688,40689,40690,40701,40702,40703,40704,40706,40710,40711,40712,40714,40757,40863,40905
+[C:1]-[O:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])-[Br:7].[C:1]-[O:2]	23	636,643,675,4346,7342,11786,12636,16270,17485,18108,18115,18124,18128,18137,18148,18155,18156,18165,30636,30656,30700,30718,30724
+[c:1]:1:[c:2]:[n:3](-[C:4]-[C:5]):[n:6]:[c:7]:1>>[C:4](-[C:5])-[Br:8].[c:1]:1:[c:2]:[n:3]:[n:6]:[c:7]:1	23	745,772,3697,3761,4847,5173,5746,5755,6997,10128,10779,10794,15277,15413,16257,16320,28986,29809,30835,43070,43136,44855,51227
+[C:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[C:1]-[C:2]-[Br:9].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	23	788,813,1548,2190,2958,2959,3302,3771,3903,5757,5767,8972,8973,9846,16252,17654,26675,29623,29818,30972,30974,43727,48129
+[c:1](:[n:2]:[c:3](-[N:4]-[C:5]):[c:6]):[c:7]>>[c:1](:[n:2]:[c:3](:[c:6])-[Br:8]):[c:7].[N:4]-[C:5]	23	1117,1125,1129,1209,4148,10743,11066,12166,13236,14212,14432,14548,22652,27502,30169,30217,31251,41807,42110,44287,52346,52650,56218
+[c:1](:[n+:2](:[c:3]:[c:4])-[O-:6]):[c:5]>>[c:1](:[n:2]:[c:3]:[c:4]):[c:5].[O:6]-[O:7]	23	1199,6670,16092,17418,25078,25491,33577,34721,34722,36908,39300,39781,39837,39840,43252,47252,47253,47269,47287,47297,47303,47322,47323
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:7]-[C:6]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8].[C:6]-[O:7]	23	1942,1943,5142,17715,25301,27165,28776,30303,30342,30346,30415,30436,30519,32734,32754,32818,32917,32923,32924,32932,33002,33040,33070
+[C:1](-[C:2])-[I:3]>>[C:1](-[C:2])-[O:5].[I:3]-[I:4]	23	2556,19992,20400,22607,22695,22909,24162,31212,33555,37817,40011,40508,40521,40532,40538,40550,40551,40552,40553,40573,40574,40575,40582
+[C:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[C:1]-[C:2](=[O:3])-[O:6].[N:4]-[S:5]	23	3553,6232,7690,7691,10057,10501,10900,12160,20093,20448,23496,26716,27367,34673,36416,39351,39824,40150,40151,42367,44113,45161,51744
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1):[c:9]>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:10].[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13]	23	4210,8025,13287,15873,17552,18615,19335,19336,22998,25099,27687,32406,34364,34689,38056,39559,43310,46695,46696,46698,46722,46726,49605
+[c:1]:[c:2](-[N:3]-[c:4](:[n:5]):[c:6]):[n:7]:[c:8]:[c:9]>>[N:3]-[c:4](:[n:5]):[c:6].[c:1]:[c:2](:[n:7]:[c:8]:[c:9])-[Cl:10]	23	4687,6333,11293,11294,11332,11335,12845,13592,17895,17896,19375,22330,27430,27883,32451,33282,33283,37052,39888,42578,48999,49816,54813
+[C:1]-[C:2]-[C:3]-[O:4]>>[C:1]-[C:2]=[C:3].[O:4]-[O:5]	23	4725,7332,22007,24716,25822,32306,39632,47261,47272,47275,47276,47277,47280,47282,47290,47294,47296,47298,47304,47307,47308,47313,47315
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]>>[C:1]-[C:2](=[O:3])-[O:10].[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]	23	4913,4914,10454,13081,13082,13083,13084,16187,17517,18079,19419,20029,22028,22897,23256,23838,26486,39104,40217,43437,46864,50845,54576
+[c:1]:[c:2](-[N:3]-[c:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1):[n:10]>>[c:4]:1(:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:11].[c:1]:[c:2](-[N:3]):[n:10]	23	5065,9915,11333,11334,11337,12253,24325,27364,27429,36876,36936,36974,37016,42762,42763,42765,42769,42770,42772,42773,48928,49636,50683
+[C:1]-[C:2](-[C:3])=[N:4]-[O:5]>>[C:1]-[C:2](-[C:3])=[O:6].[N:4]-[O:5]	23	6054,7426,9316,9436,11576,11873,11900,12577,17311,18700,28697,31210,32274,33259,34936,38147,47063,47066,47089,47090,47091,47138,47140
+[n:1]:[c:2]:[c:3]-[C:4]-[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:7]-[C:6]	23	12647,14312,20846,27577,27578,31100,31114,31118,34329,39590,48216,48310,48966,49185,51802,52428,52768,53040,54632,54661,54993,56186,56703
+[N:1]-[C:2]>>[N:1]-[C:2](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:8]	23	18449,18850,18908,19099,19103,19742,19887,20700,22423,22756,22902,23060,23122,23238,23585,23596,23755,24031,24097,24098,25374,38950,56300
+[C:1]-[O:2]>>[C:1]-[O:2]-[Si:4](-[C:3])(-[C:5])-[C:6]	23	34170,34177,34178,34179,34180,34181,34182,34183,34184,34185,34186,34187,34188,34191,34192,34193,34194,34195,34196,34197,34199,34200,38109
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[C:4](-[c:5])(-[C:6]-[Br:9])=[O:8].[N:1]-[C:2](-[N:3])=[S:7]	22	729,3690,9310,10892,26700,31937,34462,34463,37525,39539,41988,42056,42059,42063,42064,42068,42070,42073,42074,50827,51993,54713
+[C:1]-[C:2](-[N:3]-[N:4])=[O:5]>>[C:1]-[C:2](=[O:5])-[O:6].[N:3]-[N:4]	22	2847,6305,9543,10715,10808,12105,17125,17182,17449,23711,23764,24920,24934,26389,28784,39564,42175,42266,48174,50749,51340,54196
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]:[c:9]:1>>[c:1]:1:[n:2]:[c:3](:[c:7]:[n:8]:[c:9]:1)-[Br:10].[c:4](:[c:5])(:[c:6])-[B:12](-[O:11])-[O:13]	22	2906,6494,9163,14337,22835,26809,27021,42755,42784,42801,42802,42807,42808,46420,46452,46597,46662,46711,46718,49606,52896,53274
+[c:1]-[S:2](-[C:3])=[O:4]>>[c:1]-[S:2]-[C:3].[O:4]-[O:7]-[C:6](=[O:5])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12](-[Cl:13]):[c:14]:1	22	2932,5976,8014,9887,10059,16806,22589,26866,27581,28844,36532,36542,36545,36546,36560,36615,36629,36650,36662,36670,36673,36686
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]>>[c:1]:[c:2]:[c:6].[C:3](=[O:4])(-[c:5])-[O:7]	22	4073,6365,17730,33368,33487,35865,36118,36315,36371,36851,46879,48784,49166,50445,50611,51044,51749,52908,53872,54311,55483,55484
+[n:1]:[c:2]:[c:8]:[n+:6](:[c:4](:[c:3]):[c:5])-[O-:7]>>[n:1]:[c:2]:[c:8]:[n:6]:[c:4](:[c:3]):[c:5].[O:7]-[O:11]-[C:10](=[O:9])-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16](-[Cl:17]):[c:18]:1	22	4909,18495,20422,20495,20546,23858,23874,23937,25819,26060,26062,36556,36597,36599,36619,36628,36631,36661,36680,36681,36692,36693
+[c:1]-[N:2]-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]>>[c:1]-[N:2].[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:8]	22	5056,5057,5058,9766,11581,14068,14069,27472,36788,36963,36965,36972,36973,37021,37025,37081,37082,37083,37084,42651,49362,52847
+[C:1]-[N:3](-[C:2])-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[C:1]-[N:3]-[C:2].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[F:9]	22	5736,7662,7811,7876,9278,9624,12734,13021,13698,13798,14039,14851,14919,15654,19639,22785,29567,32675,32690,32697,38120,39775
+[c:1]:[c:2](-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]):[c:8]>>[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:18].[c:1]:[c:2](:[c:8])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	22	5937,10417,13246,28322,28365,28389,28404,28411,28417,28419,28422,28427,28942,28992,29009,29011,29029,29040,29046,29120,29182,29198
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2]-[Cl:4].[I:3]	22	6059,6171,24241,25878,28567,31237,36054,40366,40413,40414,40417,40434,40446,40463,40465,40470,40471,40473,40474,40475,40476,40482
+[N+:1]-[C:2]-[C:3]-[c:4]>>[N+:1]-[C:2]=[C:3]-[c:4]	22	8003,33402,33568,35962,36074,39145,39430,40297,43521,46246,47791,47792,47793,48427,50232,51018,51334,51518,51519,55317,56154,56632
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5]-1):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[C:3]-1(-[C:4]-[C:5]-1)-[B:9](-[O:8])-[O:10]	22	11288,18546,19071,25206,39028,39791,42475,42619,42623,46360,46364,46365,46369,46370,46371,46372,46373,46374,46377,46378,46380,46382
+[N:1](-[C:2])-[C:5]-[C:4]=[C:3]>>[N:1](-[C:2])(-[C:5]-[C:4]=[C:3])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	22	18823,18890,18909,18915,18917,18923,19376,19377,19412,19431,22048,22402,22403,22404,22405,22406,22407,22412,22415,22417,22772,39895
+[c:1]:1:[c:2]:[n:3](-[S:4](=[O:5])(=[O:6])-[c:7]):[c:8](:[c:9]):[c:10]:1>>[c:1]:1:[c:2]:[n:3]:[c:8](:[c:9]):[c:10]:1.[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:11]	22	19106,20879,23150,39540,44686,44691,45457,45492,45496,45903,45978,48162,49209,49897,50191,50208,51143,51153,52539,53928,55656,56838
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[B:14](-[O:13])-[O:15].[c:3](:[c:4])(:[c:5])-[O:8]-[S:17](=[O:7])(-[C:9](-[F:10])(-[F:11])-[F:12])=[O:16]	22	20781,24180,25563,38262,38263,38266,38272,38274,38275,38278,38279,38288,38289,38290,38292,38294,38296,38309,38310,38312,38313,38314
+[c:1]:[c:2](:[c:3])-[Br:4]>>[Br:4].[c:1]:[c:2](:[c:3])-[N:5]	21	2,32,43,52,57,58,60,62,64,66,73,81,84,85,86,88,89,101,102,103,111
+[C:1]-[N:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:5].[C:1]-[N:2]	21	903,2157,5382,6260,6452,12188,17752,17868,18262,25225,26973,29984,36750,38432,41787,41866,41877,41907,41938,46927,54754
+[c:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1>>[c:1]-[C:2]-[Br:8].[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1	21	910,1507,20874,23478,24263,34702,35914,36146,36803,38025,38179,48132,48133,48494,48495,52054,53097,53206,53474,56197,56202
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[I:16].[B:3](-[O:4])(-[O:5])-[B:11]-1-[O:10]-[C:8](-[C:7])(-[C:9])-[C:13](-[O:12]-1)(-[C:14])-[C:15]	21	1891,13964,14063,16127,23508,25841,28054,28080,28100,28101,28102,28124,28129,28152,28154,28167,28242,28243,28244,28247,28252
+[s:1]:[c:2](-[N:3]-[C:5](-[C:4])=[O:6]):[n:7]>>[C:4]-[C:5](=[O:6])-[O:8].[s:1]:[c:2](-[N:3]):[n:7]	21	2472,5082,10203,10291,10714,12109,12112,12114,12133,12134,12135,12296,12920,18553,23204,23933,38469,42795,42844,42845,44185
+[C:1]-[C:2]-[C:3]-[c:4]>>[C:1]-[C:2]=[C:3]-[c:4]	21	3049,3665,7419,7420,9296,9327,12631,16492,19948,25168,29614,39429,40344,48645,49145,50903,51711,53978,56230,56591,57285
+[c:1]:[c:5](:[n+:4]:[c:3]:[c:2])-[Cl:6]>>[c:1]:[c:5]:[n+:4]:[c:3]:[c:2].[Cl:6]-[P:8](=[O:7])(-[Cl:9])-[Cl:10]	21	4668,25424,35181,35205,35220,35237,35262,35264,35271,35312,35365,35366,35367,35379,35387,35404,35405,35406,35407,35479,35480
+[c:1]-[O:5]-[S:3](=[O:2])(=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]>>[c:1]-[O:5].[O:2]=[S:3](=[O:4])(-[C:6](-[F:7])(-[F:8])-[F:9])-[N:18](-[S:16](-[C:11](-[F:12])(-[F:13])-[F:14])(=[O:15])=[O:17])-[c:19]:1:[c:10]:[c:23]:[c:22]:[c:21]:[c:20]:1	21	5807,11308,28747,29471,38181,38182,38183,38185,38186,38187,38188,38189,38190,38191,38192,38193,38194,38195,38196,38197,38198
+[N:1]-1-[C:2](=[O:3])-[S:4]-[C:5](=[C:6]-[c:7])-[C:8]-1=[O:9]>>[N:1]-1-[C:2](=[O:3])-[S:4]-[C:5]-[C:8]-1=[O:9].[C:6](-[c:7])=[O:10]	21	7066,17819,33401,38149,44480,44482,44483,44484,44486,44487,44488,44489,44490,44491,44492,44493,44494,44495,44496,44497,44499
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2](=[O:3])-[N:6](-[O:5]-[C:4])-[C:7]	21	10323,12596,18195,18459,19846,19922,20059,20375,21595,21849,21885,22631,23179,23181,26126,50533,52233,54720,54903,55685,56342
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1):[c:9]>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1)-[Cl:19].[c:1]:[c:2](:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	21	22199,28314,28324,28337,28396,28690,28948,28953,28989,29012,29025,29083,29089,29144,29145,29167,29220,29221,29230,29239,29242
+[C:1](=[O:2])-[C:3]-[Br:4]>>[Br:4].[C:1](=[O:2])-[C:3]	20	26,27,41,45,48,49,53,54,71,75,77,82,83,97,114,115,120,27949,53692,56152
+[C:1]-[C:2]-1(-[C:3])-[O:4]-[C:5]-[C:6]-[O:7]-1>>[C:1]-[C:2](-[C:3])=[O:7].[O:4]-[C:5]-[C:6]-[O:8]	20	1699,3206,5208,5568,7618,8879,9171,9181,13356,17319,26335,26483,36445,46953,46955,46958,46981,46985,46989,46991
+[C:1](-[c:2]:[c:3]:[n:4])-[O:5]>>[C:1](-[c:2]:[c:3]:[n:4])(-[O:5])=[O:6]	20	1904,6366,7158,11611,24411,27636,34574,35971,39599,39939,40135,43527,43536,43620,48263,49003,50048,51790,57019,57103
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+[C:1]-[N:2]-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]>>[C:1]-[N:2].[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:8]	20	3947,4422,9216,9250,9251,11018,11580,12574,22639,23015,24744,36966,36970,37023,37024,41846,41963,45152,52765,53825
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+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1.[C:7](=[O:8])(-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])-[O:16]-[C:14](=[O:15])-[O:21]-[C:18](-[C:17])(-[C:19])-[C:20]	20	6209,6344,20902,20946,20965,20968,21047,21051,21070,21080,21106,21110,21143,21146,21148,21180,21193,21237,21346,21352
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+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]>>[c:4](:[c:5])(:[c:6])-[Br:8].[n:1]:[c:2]:[c:3](:[c:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	20	8874,10255,13618,13950,15786,23463,28383,28497,28498,28501,28941,29017,29069,29079,29080,29081,29270,29274,29275,29278
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+[O:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[O:4]-[C:5]	19	1826,1838,1849,3796,5314,10919,10980,11787,13156,13576,25298,25769,25770,30788,31123,36442,37615,38972,51264
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5]-[c:6]	19	1956,1958,1959,1974,1981,1984,1996,2004,2007,2009,2011,2012,11751,11859,15262,39484,41416,45945,50652
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+[c:1](:[n:2]:[c:3](-[Br:4]):[c:5]):[c:6]>>[Br:4]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1](:[n:2]:[c:3]:[c:5]):[c:6]	19	3254,8164,8171,8184,8198,8327,8370,8394,8464,8616,8619,8622,8623,8693,8716,8724,8725,8726,8734
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+[c:1]:[c:2](-[S:3]-[C:4]):[c:5]>>[S:3]-[C:4].[c:1]:[c:2](:[c:5])-[F:6]	19	4887,9103,11233,15791,24413,24415,26988,27453,27454,31254,31256,31257,36107,38728,40341,40345,45977,47454,47460
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[O:2].[C:3](-[c:4](:[n:5]):[c:6])-[Cl:7]	19	5598,10664,33583,35144,35146,35148,35150,35151,39298,44780,45253,48597,49035,49794,49795,49796,49797,49798,55042
+[c:1]:1:[c:2]:[n:3]:[c:4](-[C:5]=[O:6]):[c:7]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:7]:1.[C:5](=[O:6])-[N:9](-[C:8])-[C:10]	19	6149,12826,13221,15816,18635,31089,32038,32039,32121,32146,32164,32165,32188,32190,32201,32226,32235,32236,32237
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+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[O:2].[c:3](:[c:4])(:[c:5])-[Cl:6]	19	6283,19527,27813,33542,34479,36219,36342,36407,36427,36432,39505,48079,48321,48540,49343,49344,49345,50474,55481
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[c:6])-[C:7]>>[N:5](-[c:6])-[C:7].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	19	7554,11195,16068,16077,24128,25701,25745,26811,26812,28798,38868,39287,45471,45504,45950,46003,49886,51378,56406
+[N+:1]-[C:2]=[C:3]-[c:4]>>[C:3](-[c:4])=[O:5].[N+:1]-[C:2]	19	8004,29881,36075,38949,39148,39438,44653,44661,44772,44791,46190,47776,47777,47779,47780,47781,47786,47788,47789
+[c:1]-[N:2](-[C:3])-[S:4]>>[c:1]-[N:2]-[S:4].[C:3]-[I:5]	19	9037,19259,19542,26697,31420,31525,31526,31527,31538,31539,31544,31547,31548,31553,31556,31764,31787,31803,31804
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[c:1]-[O:2].[C:3](-[C:4])(-[C:5])-[O:6]	19	10279,10284,11791,12516,12518,12522,13565,19161,19166,19168,19169,19175,24833,27037,27038,27164,27172,27909,46088
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2]#[N:3].[N-:4]=[N+:5]=[N-:6]	19	11698,19438,23968,26658,26980,34581,37951,39098,47954,47960,47965,47998,48011,48012,48014,48035,48040,48045,48048
+[N:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[N:1]#[C:2]-[c:3](:[n:4]):[c:5]	19	12535,15395,37465,37701,38935,39072,39928,39999,41391,43523,48759,49014,52987,53066,55337,55741,56621,57011,57194
+[O:1]-[B:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Br:7].[O:1](-[B:2](-[O:3]-[C:11])-[O:9]-[C:8])-[C:10]	19	12926,17553,26872,33406,34432,36110,43084,43086,43087,43090,43091,43092,43093,43094,43098,43100,43104,43106,43107
+[C:1]=[C:2]-[C:3]-[c:4](:[c:5]-[O:6]):[c:7]>>[C:1]=[C:2]-[C:3]-[O:6]-[c:5]:[c:4]:[c:7]	19	17389,25331,25460,32027,34386,34597,36068,37785,43480,44668,48365,50055,51742,52068,53240,54316,55351,57089,57367
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[C:2]#[N:3].[N-:4]=[N+:5]=[N-:6]	19	17799,19125,22273,25797,41332,42738,47910,47937,47958,47963,47969,47970,47971,47973,47996,48010,48032,48053,48061
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1](:[c:2])(:[c:3])-[O:20]-[S:18](=[O:17])(=[O:19])-[C:21](-[F:7])(-[F:22])-[F:23].[O:4]-[B:5](-[O:6])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16]	19	23064,27989,28027,28028,28029,28030,28031,28032,28033,28034,28035,28037,28038,28039,28041,28042,28043,28044,28195
+[C:1](-[O:2])=[O:4]>>[C:1](-[O:2]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:3]:[c:10]:1)=[O:4]	19	27580,27617,39914,46227,48796,52536,52537,52597,52646,53328,56468,56470,56471,56472,56474,56527,56564,56566,56626
+[N:1]-[N:2]-[c:3]>>[N:2]-[c:3].[N:1](=[O:4])-[O:5]	19	37547,37625,40093,40215,42670,42671,42716,42732,45247,45274,47212,47216,47219,47222,47231,47232,47239,47243,47244
+[c:1](:[c:2])(:[c:3])-[Br:4]>>[Br:4].[c:1](:[c:2]):[c:3]	18	15,16,20,22,24,25,28,29,34,37,38,46,50,65,69,70,96,99
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[c:6]>>[C:3](=[O:4])(-[C:5])-[O:7].[C:1]-[N:2]-[c:6]	18	637,5083,5994,6183,6234,6310,9246,14339,15806,18414,19869,24456,25035,25637,29765,51048,52759,54390
+[c:1]:[c:2](-[O:3]-[C:4]):[n:5]:[c:6]:[c:7]>>[c:1]:[c:2](:[n:5]:[c:6]:[c:7])-[F:8].[O:3]-[C:4]	18	1181,1182,10101,10910,12824,14479,15369,19597,22017,26198,27173,28812,32303,33192,33193,37897,38795,48230
+[c:1]:[c:2](:[c:3])-[n:8]:1:[c:4]:[c:5]:[n:6]:[c:7]:1>>[c:4]:1:[c:5]:[n:6]:[c:7]:[n:8]:1.[c:1]:[c:2](:[c:3])-[F:9]	18	1215,9135,12544,21378,33382,38789,39253,40306,45285,46049,48304,49030,50796,51202,51637,51859,54718,54824
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[C:6])=[O:8]):[c:7]:1>>[C:5](-[C:6])(=[O:8])-[Cl:9].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:7]:1	18	2291,2306,2384,26445,27987,29667,29714,31159,33347,34822,34824,40183,43958,43972,43975,44034,50196,52220
+[O:1]-[C:2]-[O:3]-[C:4]>>[O:3]-[C:4].[O:1]-[C:2]-[Cl:5]	18	3555,4088,5264,5358,5828,5829,5831,5832,5835,5838,5852,5867,5991,26058,26085,33893,37565,54404
+[C:1](-[C:2](-[C:3]-[C:4])-[c:5])(=[O:6])-[O:7]>>[C:3](-[C:4])-[I:8].[C:1](-[C:2]-[c:5])(=[O:6])-[O:7]	18	4185,4187,4874,4876,6243,12145,12146,12147,12148,12149,12150,12151,12152,12153,16240,29944,30071,30086
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:1>>[N:6]-[C:7].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:8]:1)-[S:9](=[O:10])(=[O:11])-[C:12]	18	4362,4410,4479,4493,9499,11000,11059,14428,15454,20439,25883,27886,28592,28593,28713,32324,41812,46225
+[c:1]:[n:8]:[c:4](:[n:3]:[c:2])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[c:1]:[n:8]:[c:4](:[n:3]:[c:2])-[Cl:9]	18	4531,9635,11582,11597,11599,13680,14569,15569,15599,15657,15765,15769,22328,27084,28725,32565,36964,37080
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[N:1]-[C:2](=[O:3])-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1	18	5312,11510,11534,12995,14113,14745,14864,14918,15151,15207,19721,26489,27392,32568,39910,46261,51889,52937
+[C:1](-[c:2])-[Cl:3]>>[C:1](-[c:2])-[O:8].[Cl:3]-[S:5](-[C:4])(=[O:6])=[O:7]	18	5385,16421,19752,22052,26263,28632,28896,36368,43585,44917,44944,44951,44991,45049,45072,45091,45131,45135
+[c:1]:1:[n:2]:[c:3](-[Br:4]):[c:5]:[n:6]:[c:7]:1>>[c:1]:1:[n:2]:[c:3]:[c:5]:[n:6]:[c:7]:1.[Br:4]-[N:13]-1-[C:8](-[C:9]-[C:10]-[C:11]-1=[O:12])=[O:14]	18	5711,5718,8079,8111,8137,8142,8208,8210,8217,8286,8321,8415,8579,8701,8759,8764,8766,8770
+[c:1]:[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[n:7]:1:[c:8]:[c:9]>>[C:4](-[c:5])(-[C:6]-[Br:11])=[O:10].[c:1]:[c:2](-[N:3]):[n:7]:[c:8]:[c:9]	18	6046,20835,23436,38498,39087,39407,42820,42824,42826,42838,48308,49813,49818,53532,53718,54524,55035,55507
+[C:1]-[S:2](=[O:3])-[C:4]>>[C:1]-[S:2]-[C:4].[O:3]-[O:7]-[C:6](=[O:5])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12](-[Cl:13]):[c:14]:1	18	7311,14625,18324,18753,18808,19405,23792,25172,26717,31888,36535,36537,36553,36566,36621,36652,36655,36684
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[C:1]-[C:2](=[O:9])-[O:10].[N:3]-[c:4](:[c:5](:[c:6])-[N:8]):[c:7]	18	9632,12413,14514,19880,20039,20045,22012,23266,26854,29830,36768,40036,40037,40220,42443,42449,42581,52952
+[C:1]=[C:2]-[c:3]>>[C:2](-[c:3])=[O:4].[C:1]-[P+:9](-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:23]:[c:22]:1)(-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2)-[c:16]:3:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:3	18	11345,20200,21570,24448,27485,27486,27550,32483,32487,39203,44699,44790,44815,48434,48457,50038,54125,54847
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[C:6]>>[c:1]-[O:2].[S:3](=[O:4])(=[O:5])(-[C:6])-[Cl:7]	18	12633,12634,17483,17487,23429,28624,29001,36051,36451,41568,44884,44892,44899,45073,45079,45082,45420,45421
+[c:1](:[n:2]:[c:3](:[c:4]):[c:5]):[c:6]:[n:7]>>[c:1](:[n+:2](:[c:3](:[c:4]):[c:5])-[O-:8]):[c:6]:[n:7]	18	13140,18494,19228,20428,20547,23861,23863,23873,23935,25820,25967,26035,26064,36466,52622,54783,56836,56839
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]>>[c:1]-[N:2].[C:3](=[O:4])(-[N:5])-[O:10]-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:1	18	14037,14429,18847,25484,25487,25488,25759,32308,38818,45310,49811,50662,50858,51455,51456,52829,52936,52946
+[C:1](-[c:2]:[c:4]:[n:3])-[Cl:5]>>[C:1](-[c:2]:[c:4]:[n:3])-[O:9].[Cl:5]-[S:7](=[O:6])-[Cl:8]	18	15985,27583,34575,34726,35578,35593,35599,35601,35661,35670,35696,35718,35784,35785,35792,35794,35805,35827
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[N:4](-[C:5])-[c:6].[c:1]-[C:2](=[O:3])-[Cl:7]	18	16406,20171,25350,25503,34588,37239,38002,38020,43786,45597,47427,48191,48289,49417,49889,50925,53603,53604
+[c:1]-[C:2](-[C:3])-[O:4]>>[c:1]-[C:2]=[O:4].[C:3]-[Mg:6]-[Br:5]	18	17621,24335,27069,44620,44637,44729,44732,44734,44822,45182,47558,47562,47569,47571,47572,47573,47574,47580
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:15]:[c:14]:1)(=[O:12])=[O:13].[c:3](:[c:4])(:[c:5])-[O:16]	18	19444,19445,19446,19447,20453,34335,36383,37846,46091,46093,49665,51427,52438,53979,53984,53987,55064,55451
+[c:1]:[c:2](-[N:3]):[n:4]>>[c:1]:[c:2](-[N:3]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]):[n:4]	18	20699,20748,20809,20841,20847,20849,20853,20857,20858,20859,24036,24104,24167,24213,24214,24215,24220,24225
+[c:1]-[C:2]-[c:3]>>[c:1]-[C:2](-[c:3])-[O:4]	18	20702,27731,38088,40312,50400,50975,52061,52062,52680,53534,53700,53800,53801,53851,55129,55132,55478,56388
+[O:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[O:1]=[C:2]-[c:3](:[n:4]):[c:5]	18	24114,34571,34686,37914,39274,39921,43284,43515,44832,48758,49177,50255,50269,51345,52106,55686,56099,56392
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[s:7]):[n:8]>>[c:1](:[c:2](-[C:3](=[O:4])-[O:9]):[s:7]):[n:8].[N:5]-[C:6]	17	1253,1254,5073,6691,7760,10206,10865,26767,38404,39509,42002,42857,42858,50464,51327,51533,54330
+[c:1]:[c:2](-[C:3]#[C:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:6].[C:3]#[C:4]	17	1441,1461,6096,9041,15878,21755,21757,38521,39387,40042,40109,42689,43271,48582,53526,53655,54665
+[C:1]-[C:2]-[O:3]-[C:4](=[O:5])-[C:6]>>[O:3]-[C:4](=[O:5])-[C:6].[C:1]-[C:2]-[O:7]	17	2823,3800,4548,5206,6271,15843,22447,25816,30306,30345,30348,30391,30433,30455,30491,32383,46980
+[c:1]-[N:2]=[C:3]-[c:4]>>[c:1]-[N:2].[C:3](-[c:4])=[O:5]	17	3333,30025,34438,42560,43285,43286,44621,44705,44809,45288,48453,49361,50164,50910,54126,54872,55058
+[c:1](:[c:2]-[O:3]-[C:4]-[C:5]):[n:6]>>[C:4](-[C:5])-[Br:7].[c:1](:[c:2]-[O:3]):[n:6]	17	3720,3723,3751,3786,3956,5763,6824,8929,8975,8977,10787,16258,17794,23820,24911,29808,43078
+[O:1]-[C:2](=[O:3])-[C:4]>>[C:2](-[C:4])#[N:5].[O:1].[O:3]	17	3872,10150,10480,12968,15267,20767,25875,28700,34368,34496,35894,41315,42871,42874,42881,42882,42884
+[C:1]-[C:2]-[C:3]-[C:4]>>[C:1]-[C:2]=[C:3]-[C:4]	17	4080,6940,7192,7415,9321,9569,12580,15471,23526,23563,23601,37426,37453,43045,43268,51680,52243
+[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n:7]:[c:8]:1-[N:9]):[n:10]>>[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n:7]:[c:8]:1):[n:10].[N:9]	17	4195,4908,6666,8902,15440,25973,25976,26063,27151,27152,27280,27281,29356,40789,40790,40923,40989
+[C:1](=[O:2])(-[N:3])-[C:5](-[c:4])-[c:6]>>[C:1](=[O:2])(-[N:3])-[C:5](-[c:4])(-[c:6])-[O:7]	17	4225,5000,6829,10820,36446,36468,39991,47361,50468,51301,51375,52147,52148,52161,52163,52627,56142
+[C:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[C:1]-[C:2]-[O:13]-[S:10](-[c:9]:1:[c:8]:[c:7]:[c:6](-[C:5]):[c:15]:[c:14]:1)(=[O:11])=[O:12]	17	4425,4589,10234,11065,12185,13468,29898,29985,30213,41788,41801,41918,41934,41935,41936,41937,43598
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1)-[Cl:9]	17	4476,6537,9834,10219,10845,10854,12177,12478,13055,20173,23552,26142,40178,43340,50239,50562,52500
+[O:1]=[C:2]-[C:3]>>[C:2](-[C:3])=[C:4].[O:1]=[Os:6](=[O:5])(=[O:7])=[O:8]	17	4724,15872,16159,18967,21930,30568,38933,40276,45375,46254,46327,46329,46330,46336,46338,46340,46341
+[c:1](:[n:2]):[c:4](:[n:3])-[C:5](-[N:7]-[c:6])=[O:8]>>[c:1](:[n:2]):[c:4](:[n:3])-[C:5](=[O:8])-[O:9].[c:6]-[N:7]	17	5071,6144,14016,16147,25020,25021,25023,28580,29333,40179,42398,42747,42804,48221,52831,54663,55714
+[O:1]=[C:2](-[C:3]-[O:4]-[C:5])-[N:6]>>[O:1]=[C:2](-[C:3]-[Cl:7])-[N:6].[O:4]-[C:5]	17	5118,5134,10669,13154,15261,15794,22633,38142,46856,46928,46929,46930,50613,51315,52014,56039,56282
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[N:6])-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10](-[N+:8](=[O:7])-[O-:9]):[c:16]:[c:15]:1	17	5817,7652,13179,14621,14902,14913,14952,15999,16008,16010,16011,16013,16014,17840,26415,48913,51300
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[C:1]-[C:2](=[O:3])-[O:8].[N:4]-[c:5]:[c:7]:[n:6]	17	6182,10192,10516,10536,10561,11711,16244,16245,19453,22626,23358,28723,38468,41287,42528,45618,48716
+[O:1]=[C:2]-[O:3]-[C:4]-[c:5]>>[O:1]=[C:2]-[O:3].[C:4](-[c:5])-[Br:6]	17	6578,6800,24156,27840,34355,42493,42668,44763,49556,49565,49591,50299,50413,51760,53434,55509,55561
+[N:1]=[C:2]-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[N:9]>>[N:5]-[C:6]-[C:7](=[O:8])-[N:9].[N:1]=[C:2]-[C:3](=[O:4])-[O:10]	17	6774,6775,6776,6777,6779,8053,8054,9092,26828,26829,41402,41404,41406,41407,41408,41410,41471
+[c:1]:[c:2](-[O:3]-[c:4]):[c:5]>>[O:3]-[c:4].[c:1]:[c:2](:[c:5])-[B:7](-[O:6])-[O:8]	17	7479,10671,20340,20564,24327,29180,34508,37377,37521,37577,37578,39254,39606,43588,46517,46691,52923
+[n:1]:[c:2]:[c:3]-[N:4]>>[n:1]:[c:2]:[c:3]-[N:4]-[C:9](-[O:8]-[C:5](-[C:6])(-[C:7])-[C:11])=[O:10]	17	20650,20652,20657,20658,20679,20689,20747,20753,20762,20810,20812,20819,20833,24055,24096,24111,34103
+[N:1]-[C:2](-[C:3])-[c:4]>>[C:2](-[C:3])(-[c:4])=[O:5].[N:1]	17	21745,21775,26177,29425,30257,33295,33335,35948,35949,36254,36308,37643,38028,40355,40786,40925,40938
+[c:1]:[c:2](-[N+:3](=[O:4])-[O-:5]):[c:6]:[n:7]>>[c:1]:[c:2]:[c:6]:[n:7].[N+:3](=[O:4])(-[O-:5])-[O:8]	17	27675,34354,34683,37749,37750,40606,43885,47357,47602,47643,47647,47670,47673,47683,47698,47758,47764
+[C:1]#[C:2]-[C:3]-[O:4]-[c:5]>>[O:4]-[c:5].[C:1]#[C:2]-[C:3]-[Br:6]	16	1297,1299,1302,1304,1305,1307,1310,1311,1315,1316,1318,1321,1324,1325,1327,45825
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:5].[O:3]	16	1512,11982,15807,27008,29441,29528,42590,42894,42898,42921,42923,42936,42958,42959,42980,42989
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6](=[O:7])-[O:8])-[C:9]>>[C:1]-[C:2](=[O:3])-[O:10].[N:4](-[C:5]-[C:6](=[O:7])-[O:8])-[C:9]	16	1735,2494,5476,7019,7438,10421,12438,13085,18072,23202,23740,25365,36489,44208,55834,55977
+[O:1]-[C:2](=[O:3])-[C:4]>>[C:2](-[C:4])#[N:6].[O:1]-[C:5].[O:3]	16	2209,2214,7318,8984,9560,10139,32725,32829,32830,32832,32834,32835,32837,32838,32840,32842
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[N:4]	16	3534,16179,25430,38323,38805,38879,38921,38929,42466,42509,48237,49045,49330,50442,50526,54620
+[C:1]-[C:2]-[O:3]-[C:4]>>[C:1]-[C:2]-[I:5].[O:3]-[C:4]	16	3575,4171,4205,5964,7956,17545,19411,23924,26213,30046,30064,30079,30087,30096,30099,31238
+[c:1]:1:[c:2]:[n:3]:[c:4](-[O:5]-[C:6]):[n:7]:[c:8]:1>>[O:5]-[C:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[Cl:9]	16	4610,5187,5285,7851,9515,12024,12025,32928,33127,33164,45395,45687,52477,53145,53881,57289
+[c:1]-[C:2]-[O:3]-[c:4]:[c:6]:[n:5]>>[c:1]-[C:2]-[Br:7].[O:3]-[c:4]:[c:6]:[n:5]	16	6111,6112,9150,17874,26841,27305,36157,40374,49062,49202,49237,49374,51194,51509,53538,56204
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]:[n:9]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:10]):[c:8]:[n:9]	16	6292,7548,10836,17152,17253,17754,17755,20501,25924,25925,30218,36421,38350,38618,51537,52145
+[C:1]-[O:2]-[c:3](:[c:4]):[n:6]:[n:5]>>[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:7].[C:1]-[O:2]	16	6473,9097,12303,12539,13370,14384,14477,16170,24684,30417,30518,33061,34756,37614,51862,52416
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2):[n:11]:[c:12]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:11]:[c:12]:1)-[Cl:13].[N:5]-[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1	16	6564,10117,10406,10530,10732,16097,19344,19345,20257,22366,22803,26205,36770,37043,42754,55234
+[c:1](-[N:2]-[C:3](=[O:4])-[c:5]):[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5])-[O:8].[c:1](-[N:2]):[c:6]:[n:7]	16	6574,7052,9017,10327,14154,14430,17372,19821,34727,38037,39634,39813,39936,48706,48808,50377
+[c:1]-[C:2](-[O:3])-[c:4]>>[c:1]-[C:2](=[O:3])-[c:4]	16	7684,36091,38087,45678,49063,50098,50127,50969,51961,51965,53664,53850,53868,53873,54740,55123
+[c:1]-[O:2]-[C:3]-[C:4]#[N:5]>>[c:1]-[O:2].[C:3](-[C:4]#[N:5])-[Br:6]	16	9944,20773,22719,23965,41256,41257,41258,41260,41262,41263,41264,41265,41266,41267,41268,41269
+[c:1]:[c:2](-[N:3]-[c:4](:[n:5]):[n:6]):[c:7]>>[N:3]-[c:4](:[n:5]):[n:6].[c:1]:[c:2](:[c:7])-[Br:8]	16	10257,10258,12839,14257,15526,20766,37945,41364,45281,45282,48721,48722,51076,51209,51609,53472
+[c:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[c:1]:[c:2]:[c:5].[C:3]=[O:4]	16	12251,16583,16607,16610,16654,16656,16677,16704,16716,16720,16724,16730,16741,16742,16743,16756
+[n:1]:[c:2]:[c:8]:[c:4](:[c:3])-[c:5](:[c:6]):[c:7]>>[n:1]:[c:2]:[c:8]:[c:4](:[c:3])-[Br:9].[c:5](:[c:6])(:[c:7])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	16	13642,19319,24340,26083,26087,26088,26089,26090,28372,28476,29020,29032,29149,29160,29183,29209
+[B:1](-[O:2])-[O:3]>>[B:1](-[O:2])-[O:3]-[C:4]	16	14530,14531,25672,25681,27621,33197,33198,33199,43108,43109,43110,53197,54493,55477,55988,55989
+[O:1]=[C:2]-[c:3]>>[O:1]-1-[C:2](-[c:3])-[O:6]-[C:4]-[C:5]-1	16	14536,15306,15307,17619,23934,29835,43872,43873,43874,43875,43879,50430,53132,53133,53725,56308
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[c:5]:[n:7]):[c:8]>>[c:3](:[c:4])(:[c:6]:[c:5]:[n:7])-[Br:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	16	14596,15880,15978,24039,27150,38067,46615,46629,46640,46652,46655,46694,46705,49907,51211,51902
+[C:1](=[O:2])-[C:3]-[C:4](=[O:5])-[N:6]-[c:7]>>[C:1](=[O:2])-[C:3]-[C:4](=[O:5])-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11].[N:6]-[c:7]	16	18173,18174,18175,18176,18177,18178,18179,18180,18203,18204,18206,18207,18208,18210,20675,21638
+[C:1](=[O:2])-[N:3](-[C:4])-[C:5]>>[C:4]-[I:6].[C:1](=[O:2])-[N:3]-[C:5]	16	18947,19365,28398,28882,30856,31506,31624,31668,31734,31741,31761,31771,31777,31785,31788,31860
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]):[c:8]):[c:9]:1>>[c:6](:[c:7])(:[c:8])-[Br:10].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[B:12](-[O:11])-[O:13]	16	19508,25510,25511,25684,38762,39388,46742,46744,46749,48348,48349,48350,51133,51136,52388,53481
+[C:1]-[N:2]>>[C:1]-[N:2]-[S:7](-[C:4](-[C:3])(-[C:5])-[C:6])=[O:8]	16	19876,23737,24423,24424,24425,24426,24427,24428,24436,24437,24438,24440,24441,24442,24443,24445
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2]=[O:3].[O:4]	16	20052,24244,27638,27719,29490,36370,37670,42886,42893,42928,42934,42945,42964,42972,42982,42992
+[n:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[n:1]:[c:2](-[C:3]):[c:5].[O:4]=[Se:7]=[O:6]	16	22956,25180,33411,34711,35860,46342,46343,46344,46345,46346,46347,46348,46349,46350,46352,46354
+[c:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[c:1]:[c:2]:[c:5].[C:3](=[O:4])(-[O:6])-[C:7](-[F:8])(-[F:9])-[F:10]	16	25381,25467,27681,27715,27765,29477,35888,36734,37599,37601,37603,37604,37605,37606,37610,37611
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3](:[c:4]:[n:5]:1)-[C:13]-[O:12]-[C:11]-[C:10]-[Si:7](-[C:6])(-[C:8])-[C:9]	16	28681,33958,33974,34022,34023,34024,34025,34026,34027,34051,34053,34055,34056,34083,34084,34086
+[C:1]-[C:2](-[C:3]=[O:4])-[Br:5]>>[Br:5]-[Br:6].[C:1]-[C:2]-[C:3]=[O:4]	15	130,133,147,148,149,153,217,250,282,284,314,337,360,399,405
+[c:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]>>[c:1]-[C:2]-[Br:9].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]	15	906,2160,2161,2163,6363,6502,6510,14505,15357,15896,15917,34708,38515,38516,50513
+[O:1]-[N:2]=[C:3]-[c:4]:[c:5]:[n:6]>>[O:1]-[N:2].[C:3](-[c:4]:[c:5]:[n:6])=[O:7]	15	1580,9081,11198,33257,44693,44695,44753,47025,47035,47038,47050,47051,47061,47094,47181
+[C:1]-[N:2](-[C:3]-[c:4])-[c:5]>>[C:3](-[c:4])-[Br:6].[C:1]-[N:2]-[c:5]	15	2136,23089,25452,35913,36028,39264,39292,39294,39582,43901,48227,49334,51126,51179,56937
+[C:1](=[O:2])(-[C:3])-[O:4]>>[C:1](-[C:3])#[N:5].[O:2]=[C:7](-[O:4])-[C:6]	15	2205,2213,6095,6300,7225,36391,37936,44111,44119,44143,44146,44147,44158,44159,44162
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[c:6]):[s:7]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[c:6]):[s:7])=[O:8]	15	3127,9620,9699,9910,12696,12886,13013,13211,13652,14501,14502,14578,15156,15585,27263
+[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[N:6]-[c:7]:[c:8]:[n:9]>>[N:6]-[c:7]:[c:8]:[n:9].[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[O:10]	15	3417,10065,11974,16144,16145,20199,20338,20339,22080,23577,34626,37968,39934,48705,52369
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5]:[c:6]:1>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1)-[Cl:7]	15	3425,9541,21711,23036,29345,33354,34365,36997,49199,50176,51270,51709,55251,57208,57321
+[c:1]:[c:2](-[C:3]-[Cl:5]):[n:4]>>[c:1]:[c:2](-[C:3]-[O:9]):[n:4].[Cl:5]-[S:7](=[O:6])-[Cl:8]	15	4034,4179,5804,30017,35561,35576,35598,35651,35656,35657,35677,35713,35721,35842,35843
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:7]-[C:6].[C:1]-[N:2]	15	4216,6151,10457,10970,11068,29978,30199,30205,41832,41858,41913,41921,45146,46935,51038
+[c:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5].[c:1]-[C:2](=[O:3])-[O:6]	15	4642,4643,6008,6009,6010,6012,20051,24984,29360,29361,29363,33256,40304,47139,54957
+[c:1]:[c:2](-[C:3]-[Cl:5]):[n:4]>>[c:1]:[c:2](-[C:3]-[O:8]):[n:4].[Cl:5]-[C:7]-[Cl:6]	15	4693,20617,32499,33581,35060,35061,35074,35085,35086,35090,35095,35098,35106,35108,35133
+[C:1]-[N:2]-[c:3]:1:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1>>[C:1]-[N:2].[c:3]:1(:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1)-[Cl:11]	15	5246,10658,10853,12028,12030,12475,16581,22240,22314,29689,39736,48175,48176,48609,48610
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])(-[C:6])-[O:7]-[c:8]>>[O:7]-[c:8].[O:1]-[C:2](=[O:3])-[C:4](-[C:5])(-[C:6])-[Br:9]	15	5950,11886,17198,17199,17202,17203,17204,17205,17206,17231,17232,18004,18005,18006,18007
+[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]>>[C:1]-[C:2](-[C:3]-[C:4])=[O:11].[c:5](:[c:6](:[c:7])-[N:9]-[N:10]):[c:8]	15	6977,9189,9245,9601,9604,13338,13353,14636,14638,16152,22519,29638,44517,52257,53557
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[n:6]:[n:7]>>[c:1]:[c:2](:[n:6]:[n:7])-[Cl:8].[c:3](:[c:4])(:[c:5])-[B:10](-[O:9])-[O:11]	15	7110,11587,21856,36475,39126,39365,43623,46540,46593,46594,46605,46719,50957,51897,51909
+[C:1]-[N:3](-[C:2])-[C:5](=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]>>[C:1]-[N:3]-[C:2].[O:4]=[C:5](-[C:6](-[F:7])(-[F:8])-[F:9])-[O:14]-[C:13](=[O:12])-[C:15](-[F:10])(-[F:11])-[F:16]	15	7302,7705,8052,9599,9791,12509,15350,19627,28606,28890,29609,37302,37325,37333,37336
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[Br:6].[c:1]-[O:2]	15	7508,7509,11675,11678,11679,11681,11687,16383,26351,26353,26355,26358,26361,26589,29700
+[n:1]:[c:2]:[c:3]:1:[c:4](-[N:5]):[n:6]:[c:7]:[c:8]:[n:9]:1>>[n:1]:[c:2]:[c:3]:1:[c:4](:[n:6]:[c:7]:[c:8]:[n:9]:1)-[Cl:10].[N:5]	15	7616,11579,11594,11602,13148,14060,25704,27980,37078,39863,39986,40932,40951,40952,40962
+[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[N:6]-[c:7](:[n:8]):[c:9])-[C:10]-1=[O:11]>>[N:6]-[c:7](:[n:8]):[c:9].[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[C:10]-1=[O:11])-[Br:12]	15	7742,11110,14118,16168,19585,19601,22150,29763,31330,32536,32537,32538,32539,32540,32541
+[C:1]-[N:2]>>[C:1]-[N:2]-[C:4](-[C:3])=[O:5]	15	9445,9968,12246,13186,45571,46104,49481,49997,51241,53265,53911,54323,54375,55568,57346
+[C:1]-[C:2](-[c:3])-[Cl:4]>>[C:1]-[C:2](-[c:3])-[O:8].[Cl:4]-[S:6](=[O:5])-[Cl:7]	15	9901,9902,12975,16058,17258,27935,32399,35604,35621,35634,35736,35743,35770,35812,35818
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:6](=[O:4])-[C:5]	15	9987,13446,13646,13916,13956,14144,14227,14267,16055,16164,38652,41569,54189,54907,55257
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+[n:1]:[c:2](:[n:3])-[S:5](-[C:4])(=[O:6])=[O:7]>>[n:1]:[c:2](:[n:3])-[S:5]-[C:4].[O:6]=[S:9](-[O:8])-[O:10]-[O:7]	15	10737,11137,14334,16477,22948,27623,34729,47394,47396,47397,47402,47406,47407,47411,47412
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[c:1]-[C:2](=[O:8])-[O:9].[N:3]=[C:4](-[c:5])-[N:6]-[O:7]	15	11852,18322,21443,23701,27297,27299,27384,27385,27415,29739,34591,34592,38720,41493,50878
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]>>[C:5](-[c:6])=[O:7].[O:1]-[C:2](=[O:3])-[C:4]=[P:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:26]:[c:25]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	15	12249,24348,38823,39149,40373,43315,44749,44800,48437,49300,49383,53002,53024,53181,56992
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1)-[C:9](-[F:8])(-[F:10])-[F:11]>>[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1.[C:1](=[O:2])(-[C:9](-[F:8])(-[F:10])-[F:11])-[O:18]-[C:17](-[C:12](-[F:13])(-[F:14])-[F:15])=[O:16]	15	12452,13133,30865,33511,34540,36492,36510,37311,37312,37314,37315,37316,37317,37318,37324
+[Cl:1]-[c:2](:[n:3]:[c:4](:[c:5]):[c:6]):[c:7]>>[c:2](:[n:3]:[c:4](:[c:5]):[c:6])(:[c:7])-[O:12].[Cl:1]-[P:9](=[O:8])(-[Cl:10])-[Cl:11]	15	12626,26881,27644,35198,35257,35258,35259,35284,35333,35336,35361,35396,35399,35401,35402
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[n:7]>>[C:1]-[C:2](=[O:3])-[O:11]-[C:9](-[C:8])=[O:10].[N:4]-[c:5](:[c:6]):[n:7]	15	16890,16895,16900,16913,16914,16937,16939,16942,16945,16958,17015,17021,17073,17098,17109
+[c:1]-[C:2]-[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]>>[c:1]-[C:2]=[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]	15	17818,52319,52807,53168,53222,54086,54088,54089,55101,55268,55281,55550,55997,56389,56395
+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]):[c:6]:1>>[c:1]:1:[c:2]:[n:3](:[c:4](:[c:5]):[c:6]:1)-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	15	21424,21427,21430,21433,21434,21438,21442,21447,21453,21455,24322,24323,24326,24347,24350
+[C:1](-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1)-[O:7]>>[C:1](-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1)(=[O:7])-[O:10]-[C:9]-[C:8]	15	21479,26218,31141,34738,38358,38616,39809,39832,52687,52774,52815,52821,54003,55951,57170
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]):[c:8]>>[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[Br:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	15	22614,38073,46424,46595,46600,46739,50571,51826,51910,53424,53427,53428,53446,54701,54702
+[n:1]:1:[n:2]:[c:3](-[I:4]):[c:5]:[c:6]:1>>[n:1]:1:[n:2]:[c:3]:[c:5]:[c:6]:1.[I:4]-[I:7]	15	25233,25281,32430,36505,40509,40512,40518,40522,40530,40531,40534,40546,40547,40548,40549
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:8](-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:16]:[c:15]:1)-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2	15	52152,52153,52154,52155,52156,52157,52158,56122,56123,56124,56126,56127,56128,56129,56132
+[C:1](-[c:2])-[Br:3]>>[Br:3].[C:1](-[c:2])-[O:4]	14	8,9,10,11,35,36,76,95,109,110,112,116,119,121
+[C:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1>>[C:1]-[C:2]-[Br:8].[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1	14	853,2102,2111,3740,3897,6599,6823,12894,13447,16253,26684,29629,43354,56231
+[C:1]-[O:2]-[c:3]:[c:5]:[n:4]>>[O:2]-[c:3]:[c:5]:[n:4].[C:1]-[I:6]	14	1050,16096,31490,31583,31584,31585,31632,31662,31678,31707,31857,31866,31867,31872
+[c:1]-[C:2]-[Br:3]>>[c:1]-[C:2]-[O:11].[Br:3]-[N:10]-1-[C:5](=[O:4])-[C:6]-[C:7]-[C:8]-1=[O:9]	14	1501,8146,8148,8228,8315,8316,8336,8406,8456,8465,8571,8635,8645,8673
+[O:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[O:1]-[C:2](=[O:3])-[Cl:9].[N:4]-[C:5]-[C:6](=[O:7])-[O:8]	14	1811,1818,2520,7949,26469,26470,26473,26475,27482,29755,30803,41999,46816,52559
+[c:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[c:1]-[C:2]-[Br:6].[N-:3]=[N+:5]=[N-:4]	14	2153,2154,6462,12012,34925,34927,47899,47905,47923,47940,47974,47994,48008,48063
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:2:[c:6]:1:[n:7]:[c:8](-[C:9]):[n:10]:2-[C:11]>>[C:8](-[C:9])(-[Cl:12])=[O:13].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1-[N:7])-[N:10]-[C:11]	14	2310,2334,4566,4567,4569,10147,20512,22486,23291,26031,27277,29319,43331,43332
+[c:1]-[O:2]-[C:3]-[c:4](:[c:5]:[o:6]):[n:7]>>[c:1]-[O:2].[C:3](-[c:4](:[c:5]:[o:6]):[n:7])-[Cl:8]	14	2812,34371,36329,38578,39328,39433,39434,40201,48944,49320,49668,51177,51178,51838
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[c:1]-[C:2](=[O:3])-[Cl:8]	14	2884,12441,38174,39709,39710,42785,42791,50810,50818,50948,53598,53605,54377,56048
+[c:1]:1:[n:2]:[c:3](-[N:4](-[C:5])-[C:6]):[n:7]:[c:8](:[c:9]):[c:10]:1>>[N:4](-[C:5])-[C:6].[c:1]:1:[n:2]:[c:3](:[n:7]:[c:8](:[c:9]):[c:10]:1)-[Cl:11]	14	3088,7249,7250,7665,12743,13721,14350,15012,15038,15051,24280,25055,32644,43865
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[c:7]:[n:8]:1>>[c:1]:1:[c:2](:[c:6]:[c:7]:[n:8]:1)-[Br:9].[c:3](:[c:4])(:[c:5])-[B:11](-[O:10])-[O:12]	14	3218,10407,10694,26626,28578,39211,39481,46187,46623,46624,46644,48924,49989,50014
+[c:1](-[O:2]-[c:3](:[c:4]):[c:5]):[c:6]:[n:7]>>[c:1](-[O:2]):[c:6]:[n:7].[c:3](:[c:4])(:[c:5])-[F:8]	14	3428,11295,11427,17826,24270,27306,35889,37777,39568,40319,42460,43335,48089,48832
+[C:1](-[C:2])-[Br:3]>>[Br:3]-[N:10]-1-[C:5](=[O:4])-[C:6]-[C:7]-[C:8]-1=[O:9].[C:1](-[C:2])-[O:11]	14	3557,6327,8068,8089,8128,8132,8133,8201,8204,8551,8620,8627,8630,8723
+[C:1]-[C:2]-1-[O:3]-[C:4]-1>>[C:1]-[C:2]=[C:4].[O:3]-[O:7]-[C:6](=[O:5])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12](-[Cl:13]):[c:14]:1	14	4131,5419,15318,17242,36574,36579,36624,36635,36651,36657,36665,36685,36689,36690
+[C:1]-[N:2]-[c:3](:[n:4]:[c:5](:[c:6]):[c:7]):[c:8]>>[c:3](:[n:4]:[c:5](:[c:6]):[c:7])(:[c:8])-[Cl:9].[C:1]-[N:2]	14	4500,4990,4991,8985,15899,23570,33451,41780,45692,48233,50111,51150,51294,51295
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[O:2].[C:3](-[c:4])-[Cl:5]	14	4602,4635,5225,11958,18801,22120,26707,29745,30467,33533,33562,33947,46937,54319
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2].[c:3](:[c:4])(:[c:5])-[Cl:6]	14	4613,10744,11783,11789,13276,23406,23410,27161,32743,32746,32885,33017,34381,37613
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:7]-[C:8]>>[C:7](-[C:8])-[I:9].[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	14	4875,9921,12545,17679,29943,30033,30047,30053,30063,30082,30095,30098,30117,30119
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]>>[C:4](-[C:5])-[Cl:6].[N-:1]=[N+:2]=[N-:3]	14	5211,5965,6721,24935,44555,45639,47896,47936,47943,47990,47991,48002,48016,48052
+[C:1]-[C:2]-[F:3]>>[C:1]-[C:2]-[O:12].[F:3]-[S:9](-[N:6](-[C:5]-[C:4])-[C:7]-[C:8])(-[F:10])-[F:11]	14	6770,6772,18974,37812,38557,39459,40232,40233,40235,40237,40238,40241,40243,40244
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[c:3](:[c:4])(:[c:5])-[I:7].[C:1]-[N:2]-[C:6]	14	6926,6931,7865,11603,12727,13706,15127,15753,16215,20322,31974,39465,41679,43861
+[N:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])(=[O:5])-[O:7]-[C:6].[N:1]-[N:2]	14	7048,11464,13379,14002,15955,19856,27944,34501,37375,42144,42194,42198,42270,42280
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[Br:4]	14	7208,7848,9447,23694,28790,39578,44286,48757,49593,50734,51125,54464,55425,56617
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[C:3](=[C:4]-[C:5])(-[C:6])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	14	7376,10119,10315,15392,28283,28289,28290,28916,28918,28919,28922,28930,28931,28934
+[c:1]-[C:2](-[C:3])-[C:4]>>[c:1]-[C:2](-[C:3])(-[C:4])-[O:5]	14	7523,7996,10709,11656,11899,26074,26123,26161,29706,38920,43596,52507,53464,55136
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]:[c:7]:[n:6]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5]:[c:7]:[n:6])=[O:8]	14	9407,9644,9721,14803,14879,14880,15542,15567,15625,15755,18571,29587,30284,49694
+[C:1]-[N:2](-[C:3]-[c:4](:[n:5]):[n:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](-[c:4](:[n:5]):[n:6])=[O:8]	14	9717,11516,13891,14496,14574,15964,15965,18519,29995,32457,37091,53314,54327,56549
+[n:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]):[c:10]>>[n:1]:[c:2](-[C:3]=[O:11]):[c:10].[N:4]-[c:5](:[c:6](:[c:7])-[N:9]):[c:8]	14	12016,12035,12036,12037,14022,25004,29439,29489,30860,33994,34426,42634,48965,50647
+[c:1]:1:[c:2]:[n:3](-[c:4](:[c:5]):[c:6]):[n:7]:[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1.[c:4](:[c:5])(:[c:6])-[I:9]	14	12809,12902,13046,15802,19234,30877,31173,31174,34418,38359,38643,48182,48185,48931
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[Cl:6]):[c:7]:1>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:7]:1)-[O:11].[Cl:6]-[S:9](=[O:8])-[Cl:10]	14	12819,13240,13488,14080,14160,35540,35557,35602,35637,35638,35641,35660,35726,35811
+[S:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[S:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	14	14166,15960,25649,37018,45357,45564,45601,45611,45663,49785,53915,55419,56270,56271
+[C:1](-[C:2])=[O:3]>>[C:1](-[C:2])(-[O:3]-[C:4])-[O:6]-[C:5]	14	14599,19359,25312,33226,33228,33229,33231,43137,43138,43141,43148,54811,55360,56266
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2]-[O:8]-[S:5](-[C:4])(=[O:6])=[O:7].[I:3]	14	16394,19994,20355,22262,24816,37456,37458,38077,40415,40416,40419,40421,40439,40472
+[c:1]:1:[c:2](-[Cl:3]):[c:4]:[c:5]:[n:6]:1>>[c:1]:1:[c:2]:[c:4]:[c:5]:[n:6]:1.[Cl:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	14	17911,19937,23142,25231,27388,37223,43031,44332,44333,44364,44365,44380,44382,44386
+[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n+:7]:[c:8]:1-[N:9]):[n:10]>>[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n+:7]:[c:8]:1):[n:10].[N:9]	14	18496,19242,20427,23859,23862,23877,23936,25981,26047,26065,40794,40834,40897,40964
+[c:1]:[c:2]:1:[c:3](-[N:4]):[n:5]:[n:6]:[c:7]:1:[c:8]>>[c:1]:[c:2](-[C:3]#[N:4]):[c:7](:[c:8])-[F:9].[N:5]-[N:6]	14	20775,24179,29538,33536,34424,36787,42190,42191,42207,42213,42214,42215,42279,42300
+[C:1](-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1)=[O:7]>>[C:1](-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1)-[O:7]	14	21464,26072,34300,38361,39808,39831,52773,52817,52822,54000,55950,55967,57098,57168
+[c:1](:[n:2]:[c:3](-[C:4]#[N:5]):[c:6]):[c:7]>>[c:1](:[n:2]:[c:3](:[c:6])-[Cl:8]):[c:7].[C:4]#[N:5]	14	22244,25728,32524,33998,36235,37466,37698,39826,39835,41018,41057,41059,41086,41110
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+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7](-[C:8]-[C:9])-[O:10]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1.[C:7](=[C:8]-[C:9])-[O:10]	14	25271,33386,37041,43735,43741,43743,43746,43747,43751,43754,43755,43757,43768,43772
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+[c:1](:[c:2](:[c:3])-[I:5]):[n:4]>>[c:1](:[c:2]:[c:3]):[n:4].[I:5]-[N:9]-1-[C:7](-[C:6]-[C:12]-[C:11]-1=[O:10])=[O:8]	14	34336,36929,37488,41372,42744,42819,42827,42833,44402,44407,44415,44418,44432,44439
+[C:1]-[N:2](-[C:3]-[C:4](=[O:5])-[O:6])-[C:7](=[O:8])-[C:9]>>[C:3](-[C:4](=[O:5])-[O:6])-[Br:10].[C:1]-[N:2]-[C:7](=[O:8])-[C:9]	13	655,658,12329,18133,30635,30682,30698,30699,30705,30708,30709,30719,30720
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[B:3](-[O:4])(-[O:5])-[O:11]-[C:9](-[C:8])-[C:10]	13	1059,10948,24453,24695,25190,27185,27187,27201,27205,28302,28303,28304,28305
+[c:1]:[c:2](-[C:3](=[O:4])-[C:5]):[c:6]>>[C:3](=[O:4])(-[C:5])-[N:10](-[O:9]-[C:8])-[C:11].[c:1]:[c:2](:[c:6])-[Br:7]	13	1728,2453,4933,4934,4935,22820,22821,22822,23313,25095,25131,33466,37996
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+[C:1]-[C:2](-[C:3])=[O:4]>>[C:1]-[C:2](=[O:4])-[N:9](-[O:8]-[C:7])-[C:10].[C:3]-[Mg:6]-[Br:5]	13	2455,9201,9849,18668,22129,39543,47557,47563,47565,47577,47578,47579,47588
+[C:1](-[C:2](=[O:3])-[O:9])-[N:4]-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:1](-[C:2](=[O:3])-[O:9])-[N:4].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:10]	13	2519,2521,4946,18044,18048,21532,23840,26471,44059,44070,44173,45458,51349
+[c:1]-[S:2](-[C:3])(=[O:4])=[O:5]>>[c:1]-[S:2]-[C:3].[O:4]=[S:7](-[O:6])-[O:8]-[O:5]	13	2829,6603,15514,24339,47388,47389,47390,47392,47395,47400,47405,47409,47410
+[c:1]:[c:2](-[Cl:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:5].[Cl:3]	13	2838,9813,27605,34765,34766,34769,34771,34776,34777,34781,34789,34791,34795
+[c:1]:[c:2](-[C:3](=[O:4])-[O:6]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:7].[C:3](=[O:4])=[O:6]	13	2931,16002,27758,43804,44560,44561,44564,44566,44567,44568,44570,44571,44573
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[n:6]):[c:7])-[Br:8]	13	3116,6927,9623,10198,12741,13773,14575,14576,14961,19662,25390,32563,32671
+[c:1]:1:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]:[n:8]:[n:9]:1>>[c:1]:1:[c:2](-[C:3](=[O:4])-[O:10]):[c:7]:[n:8]:[n:9]:1.[N:5]-[C:6]	13	3233,7923,7926,7929,7960,15436,15446,23375,23376,37416,37428,37429,40155
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+[n:1]:[n:2]:[c:5](-[N:4]-[N:3]):[c:6]>>[n:1]:[n:2]:[c:5](:[c:6])-[Cl:7].[N:3]-[N:4]	13	3527,7564,12983,25318,34098,34215,40106,42226,42273,42285,42303,42315,42318
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2]-[O:6].[N-:3]=[N+:5]=[N-:4]	13	3661,5021,5329,18743,19932,23412,33552,46993,47908,47952,47972,48038,48039
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+[c:1]:[c:2](-[C:3]-[S:4]-[c:5]:1:[n:6]:[c:7](:[c:8](:[c:9]):[n:11]:1):[c:10]):[n:12]>>[c:1]:[c:2](-[C:3]-[Cl:13]):[n:12].[S:4]=[C:5]-1-[N:6]-[c:7](:[c:8](:[c:9])-[N:11]-1):[c:10]	13	4037,4178,4670,4692,5803,10965,14043,29463,41699,41700,41703,41704,41706
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[c:10]>>[C:1]-[N:2]-[c:10].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:18]-[C:16](-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14])=[O:17]	13	4193,9128,13324,16078,20919,20924,20976,21053,21096,21102,21194,21288,21296
+[C:1]-[O:2]-[C:3](-[c:4])(-[c:5])-[c:6]>>[C:1]-[O:2].[C:3](-[c:4])(-[c:5])(-[c:6])-[Cl:7]	13	4249,5277,5546,6082,6851,9339,46851,47385,50484,51011,51387,52089,52090
+[C:1]-[N:2]-[C:4](=[O:3])-[C:5](-[F:6])(-[F:7])-[F:8]>>[C:1]-[N:2].[O:3]=[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])-[O:11]-[C:10]-[C:9]	13	4507,4966,16156,18616,22375,23910,25901,36465,37345,37347,37348,37352,37356
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:5].[O:3]=[N:7]-[O:6]	13	4654,15522,25657,26117,40348,42473,42517,42607,42630,42669,42672,42707,47238
+[c:1]:[c:2](-[S:3]-[C:4]):[c:5]>>[S:3]-[C:4].[c:1]:[c:2](:[c:5])-[Br:6]	13	5331,5334,9519,10301,23061,43513,48626,49113,50328,50334,51074,51123,52280
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+[N:1]-[C:2](-[C:3])=[N:4]-[O:5]>>[N:1]#[C:2]-[C:3].[N:4]-[O:5]	13	6200,9870,19920,21798,22138,22535,22591,23300,41314,45329,47135,47150,47172
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+[O:1]-[C:2]-[c:3]>>[O:1]=[C:2](-[c:3])-[O:4]	13	6403,36114,37049,38019,38903,40202,44188,50373,51735,51812,53048,53626,54821
+[C:1](=[O:2])-[C:3]-[N:4]-[C:5](=[O:6])-[C:7]>>[C:1](=[O:2])-[C:3]-[N:4].[C:5](=[O:6])(-[C:7])-[O:8]	13	6660,9209,18367,20044,21988,22056,26484,26790,27919,36144,42107,45966,53457
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:3](=[O:4])(-[O:5])-[O:14]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[C:1]-[N:2]-[C:6]	13	6762,6763,9205,12892,13827,14843,15785,16360,22813,23398,38442,44447,51277
+[C:1](-[c:2](:[c:3]:[n:4]):[n:5])=[O:6]>>[C:1](-[c:2](:[c:3]:[n:4]):[n:5])-[O:6]	13	7123,9279,14284,15947,15983,28603,32520,34625,35855,39303,47000,53376,54626
+[N-:1]=[N+:2]=[N:3]-[c:4]>>[N:3]-[c:4].[N-:1]=[N+:2]=[N-:5]	13	7150,20736,20738,36776,39621,42587,47906,47909,47917,47926,47955,48001,48062
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[n:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5](:[n:6]):[n:7])-[O:8]	13	7428,14225,15380,27694,28729,28732,28734,28735,28762,31315,33966,33967,33968
+[c:1]:1:[n:2]:[c:3]:[c:4](:[s:5]:1)-[Br:6]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[s:5]:1.[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	13	7506,8072,8073,8112,8127,8156,8199,8240,8303,8424,8431,8680,8776
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](=[O:6])-[N:7]-1>>[c:1]-[C:2]#[N:7].[N:3]-[O:4].[C:5](=[O:6])(-[O:8])-[O:9]	13	7608,9242,9438,11384,15347,17471,17474,28852,46866,46867,46868,46870,46872
+[c:1](-[C:2]-[N:3](-[C:4])-[C:5]):[c:6]:[n:7]>>[N:3](-[C:4])-[C:5].[c:1](-[C:2]-[Br:8]):[c:6]:[n:7]	13	7791,8934,8935,9709,13213,15705,17804,19692,19695,19699,19726,32579,32615
+[c:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]>>[c:1]-[N:2]-[C:4](=[O:5])-[N:6].[C:3]-[I:7]	13	9351,12828,31440,31450,31483,31484,31508,31509,31510,31511,31533,31555,31740
+[c:1]-[N:2]-[C:3]>>[c:1]-[N:2](-[C:3])-[C:5](-[C:4])=[O:6]	13	9919,14220,14275,15439,15941,16048,18380,25702,44548,45353,46136,52955,56156
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[c:1]-[C:2]=[O:9].[N:3]-[c:4](:[c:5](:[c:6])-[N:8]):[c:7]	13	9920,17246,28577,38606,39706,42452,42632,42727,44634,44816,50431,54115,54119
+[c:1]:[c:3](:[c:2])-[N:4]>>[c:1]:[c:3](:[c:2])-[F:5].[N:4]	13	12208,12501,18002,37719,38381,40216,40663,40669,40709,40741,40746,40747,40763
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[c:1]-[O:2].[C:3](-[C:4])(-[C:5])-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9]	13	14457,15503,18734,19206,22770,22771,25386,27032,27284,27405,45189,45855,57291
+[c:1]:[c:4](:[c:3]:[n:2])-[I:5]>>[c:1]:[c:4]:[c:3]:[n:2].[I:5]-[I:6]	13	14515,17416,27735,36022,39948,40496,40502,40526,40540,40542,40545,40579,40580
+[c:1]-[O:2]-[C:3]-[C:4]-[O:5]>>[C:3]-1-[C:4]-[O:5]-1.[c:1]-[O:2]	13	16003,17583,18576,22982,28800,28803,28805,43634,43635,43656,43664,43678,43680
+[S:1]-[N:2]>>[S:1]-[N:2]-[C:4](-[C:3])(-[C:5])-[C:6]	13	17854,17855,17856,17857,17858,17859,17863,17865,17878,17879,17880,17881,17887
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[C:7](-[C:6])(-[C:8])-[C:9]	13	18083,18095,18099,18100,18101,18102,18103,18104,21605,21607,21608,21610,21612
+[c:1]:[c:2](-[C:3]-[O:4]):[n:5]>>[c:1]:[c:2](-[C:3](-[O:4])=[O:6]):[n:5]	13	25280,26836,27573,38722,39272,42029,48975,49286,49616,50259,50380,51238,54299
+[c:1]-[N:2]>>[c:1]-[N:2]-[C:7](=[O:6])-[C:8](-[F:3])(-[F:4])-[F:5]	13	25406,37282,37285,37289,37291,37294,37295,37297,37554,37564,37566,37567,37569
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[n:7]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N:7].[C:6](=[O:8])-[O:9]	13	26515,33631,34544,34747,35969,36086,42444,42445,42448,42633,46004,46899,46904
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1]:[c:2](:[c:3])-[Cl:16].[O:4]-[B:5](-[O:6])-[B:11]-1-[O:10]-[C:8](-[C:7])(-[C:9])-[C:13](-[O:12]-1)(-[C:14])-[C:15]	13	27346,27994,28005,28019,28022,28082,28097,28239,28240,28267,28268,28276,28277
+[C:1](-[C:2]-[C:3](-[C:4](=[O:5])-[O:6])=[O:7])=[O:8]>>[C:1](-[C:2])=[O:8].[C:3](-[C:4](=[O:5])-[O:6])(=[O:7])-[O:9]-[C:11]-[C:10]	13	27387,30890,30905,30906,30907,30908,30910,30913,30915,30917,30919,30920,30921
+[c:1]:[c:2](-[C:3](-[O:4])=[O:6]):[c:5]>>[c:1]:[c:2]:[c:5].[C:3](=[O:4])=[O:6]	13	27390,34207,34549,36145,37847,38074,40268,40271,40282,40317,44562,44572,44575
+[c:1]:1(:[c:2]:[n:3]:[n:4]:[c:5]:1)-[Br:6]>>[Br:6]-[Br:7].[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1	12	158,189,252,262,312,332,365,378,383,432,460,465
+[c:1]-[S:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:5].[c:1]-[S:2]	12	738,817,1790,3738,4111,4857,5184,5676,5777,11990,23374,46314
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7]>>[C:1]-[C:2]-[Br:9].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7]	12	787,815,2086,3702,3899,3900,4824,6065,6066,30922,43475,46391
+[O:1]=[C:2](-[C:3])-[N:5](-[C:4])-[C:6]-[C:7]>>[C:6](-[C:7])-[Br:8].[O:1]=[C:2](-[C:3])-[N:5]-[C:4]	12	819,837,838,1549,8976,10773,13075,18930,24688,24689,24704,43658
+[C:1]-[S:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[Br:5].[C:1]-[S:2]	12	904,2148,6332,16821,17219,27029,30995,32409,33366,36147,39906,52105
+[c:1](:[n:2]:[c:3](-[O:4]-[C:5]):[c:6]):[c:7]>>[c:1](:[n:2]:[c:3](:[c:6])-[Br:8]):[c:7].[O:4]-[C:5]	12	1120,1124,1223,4242,10022,19176,25898,33069,33089,33145,33158,45303
+[C:1]-[N:2](-[C:3])-[c:4]:1:[n:5]:[c:6]:[c:7]:[s:8]:1>>[c:4]:1(:[n:5]:[c:6]:[c:7]:[s:8]:1)-[Br:9].[C:1]-[N:2]-[C:3]	12	1230,13748,13811,15021,15032,15059,19672,20353,22815,31179,38599,48122
+[C:1]-[n:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[n:7]:1>>[C:1]-[N:2]=[N+:7]=[N-:6].[C:3]#[C:4]-[C:5]	12	1384,2175,7965,8981,21465,21466,23583,23704,29704,37572,45607,46082
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[c:6].[C:5]-[I:7]	12	1716,5934,6600,21782,31354,31361,31393,31607,31670,31768,31781,31830
+[O:1]-[C:2](=[O:3])-[O:4]-[c:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[O:4]-[c:5]	12	1795,1800,1801,1817,1819,1820,1846,1848,3573,25149,30787,30816
+[N:1]-[C:2](=[O:3])-[C:4]>>[N:1]#[C:2]-[C:4].[O:3]	12	2202,6593,8881,26121,34033,37883,42889,42949,42966,42969,42978,42995
+[c:1]-1:[c:2]-[O:3]-[C:4]-[C:5](=[O:6])-[N:7]-1>>[C:4](-[C:5](=[O:6])-[Cl:8])-[Cl:9].[c:1](:[c:2]-[O:3])-[N:7]	12	2336,2365,2371,2374,2375,2376,2390,2393,2395,2401,2402,2447
+[C:1](-[C:2])-[O:3]>>[C:1](-[C:2])(=[O:3])-[O:4]	12	2468,9234,11884,12573,18826,25868,37822,49750,52353,54512,55777,57083
+[N:1]-[C:2](=[O:3])-[C:4]-[O:5]-[c:6]>>[O:5]-[c:6].[N:1]-[C:2](=[O:3])-[C:4]-[Cl:7]	12	2540,3020,4799,4803,10569,21481,33957,36244,36392,38821,45943,55065
+[C:1]-[O:2]-[C:3]-[C:4]>>[C:1]-[O:2].[C:3](-[C:4])-[Cl:5]	12	2565,4347,4962,5190,5967,6936,8998,12936,28698,28787,33195,46988
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[c:1]-[C:2](=[O:3])-[O:8].[N:4]-[c:5](:[n:6]):[c:7]	12	2814,13259,14040,14093,37211,42636,44295,45292,52707,52708,53630,53633
+[C:1]=[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]=[C:2]-[Sn:7](-[C:8]-[C:9]-[C:10]-[C:11])(-[C:12]-[C:13]-[C:14]-[C:15])-[C:16]-[C:17]-[C:18]-[C:19].[c:3](:[c:4])(:[c:5])-[Br:6]	12	2968,2969,2970,2972,2976,2979,2985,2988,2990,2991,2995,2996
+[c:1](:[n:2]):[c:3]-[C:4](-[C:5])-[O:6]>>[c:1](:[n:2]):[c:3]-[C:4](-[C:5])=[O:6]	12	3074,33344,33983,35895,39600,49882,50273,51644,52024,52669,54387,54629
+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:1)-[Br:6]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1	12	3350,5614,8084,8097,8126,8136,8214,8243,8244,8611,8692,8699
+[C:1]-[C:2](=[O:3])-[N:4](-[c:5](:[c:6]):[c:7])-[C:8]>>[C:1]-[C:2](=[O:3])-[N:4]-[C:8].[c:5](:[c:6])(:[c:7])-[Br:9]	12	3514,10966,13066,13072,13076,13079,16161,19398,43477,44458,49413,51914
+[C:1]-[O:2]-[Si:3](-[C:4])(-[C:5])-[C:6]>>[Si:3](-[C:4])(-[C:5])(-[C:6])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:7])(-[F:8])-[F:9].[C:1]-[O:2]	12	3518,10462,14129,17422,26066,26071,27541,27542,38258,38259,38260,38261
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]>>[C:1]-[C:2]-[Br:9].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]	12	3708,5581,5774,8974,8979,8980,13264,24910,26561,30570,37464,52230
+[c:1]-[O:2]-[C:3]-[c:4]>>[c:1]-[O:2].[C:3](-[c:4])-[O:5]	12	3868,5609,5611,5932,11378,22787,39492,45594,48390,50287,50289,54239
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:9]-[C:8]	12	4383,4385,4386,4387,4388,15448,17250,30984,32698,41842,45553,47419
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5](-[F:6])(-[F:7])-[F:8]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5](-[F:6])(-[F:7])-[F:8])-[O:11]-[C:10](=[O:9])-[C:12](-[F:13])(-[F:14])-[F:15]	12	4484,8006,22092,22300,33557,37313,37323,37329,37330,37331,37338,37340
+[n:1]:[c:2]:[c:3]-[N:4]-[C:5](-[c:6])=[O:7]>>[C:5](-[c:6])(=[O:7])-[Cl:8].[n:1]:[c:2]:[c:3]-[N:4]	12	4779,6639,10060,10106,12796,19294,23796,36785,38978,45362,51756,53602
+[C:1]-[C:2](-[C:3]#[N:4])(-[C:5])-[N:6]>>[C:1]-[C:2](-[C:5])=[O:7].[C:3]#[N:4].[N:6]	12	4918,8847,10168,13361,34465,34466,39755,40638,40645,40646,40647,40648
+[c:1]:[c:2](-[Cl:3]):[c:4]>>[c:1]:[c:2]:[c:4].[Cl:3]-[S:6](=[O:5])(=[O:7])-[Cl:8]	12	5086,5936,9121,10369,24072,25474,27596,29417,40062,44781,45436,45440
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]-[C:11](=[O:12])-[O:13]>>[N:8](-[C:9])-[C:10]-[C:11](=[O:12])-[O:13].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:21]-[C:19](-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])=[O:20]	12	5423,5437,5467,7364,11179,15281,16189,20938,20940,21187,21274,21314
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Cl:7].[N:6]	12	5943,7558,25516,25700,35923,36961,40654,40745,40782,40859,40874,40931
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:4]-[C:3]	12	5955,18400,23085,25968,26099,30957,35973,36339,39355,43488,50109,52877
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[O:6]-[C:5].[N:3]	12	6150,32505,40725,40726,40755,40771,40792,40841,40868,40878,40968,41002
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Cl:7].[c:3](:[c:4])(:[c:5])-[B:9](-[O:8])-[O:10]	12	6426,35900,35908,35916,36152,36316,36503,38455,46578,49603,51032,53415
+[c:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[C:7]-1=[O:8]>>[c:1]-[N:2].[C:3]-1(=[O:4])-[c:5]:[c:6]-[C:7](=[O:8])-[O:9]-1	12	6552,14279,25218,27225,31247,36096,42608,44530,44533,44534,44537,49959
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2].[c:3](:[c:4])(:[c:5])-[I:6]	12	6556,6557,9828,16153,26823,27852,33172,51513,53401,54691,55688,55691
+[O:1]-[N:2]>>[O:1]-[N:2]-1-[C:5](-[c:4]:2:[c:3]:[c:12]:[c:11]:[c:10]:[c:9]:2-[C:8]-1=[O:7])=[O:6]	12	7245,19836,20550,21896,24376,24853,24985,38091,39678,39843,50096,55767
+[c:1](:[n:2]):[c:3]-[C:4](-[C:5]-[C:6])-[C:7]>>[c:1](:[n:2]):[c:3]-[C:4](=[C:5]-[C:6])-[C:7]	12	7386,18912,18914,18921,22416,37932,37971,49947,51117,51325,51786,55843
+[C:1]-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[C:7]-1=[O:8]>>[C:1]-[N:2].[C:3]-1(=[O:4])-[c:5]:[c:6]-[C:7](=[O:8])-[O:9]-1	12	7764,25838,25997,28670,42003,42092,44531,44532,44538,44540,44541,44542
+[N:1](-[c:2](:[c:3]):[c:4])-[C:26](-[O:25]-[C:22](-[C:21])(-[C:23])-[C:24])=[O:27]>>[c:2](:[c:3])(:[c:4])-[C:26](=[O:27])-[O:28].[C:21]-[C:22](-[C:23])(-[C:24])-[O:25].[N:1](=[N+:6]=[N-:5])-[P:7](=[O:8])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2	12	8009,17933,17943,17944,17954,17957,17959,17962,17975,17976,17979,17983
+[O:1]=[C:2]-[c:3]>>[C:2](-[c:3])=[C:4].[O:1]=[Os:6](=[O:5])(=[O:7])=[O:8]	12	8938,16811,29862,33447,36331,38063,45168,46259,46328,46334,46335,46339
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N:2].[C:3](=[O:4])(-[O:11]-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16]	12	10441,10702,10992,10993,11014,14406,19060,19329,22225,30134,30987,34884
+[O:1]=[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2]-[C:3]-[Br:7]	12	11181,12732,15119,15149,15663,15717,19708,45181,49614,50490,50491,53333
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2]-[O:13]-[S:10](-[c:9]:1:[c:8]:[c:7]:[c:6](-[C:5]):[c:15]:[c:14]:1)(=[O:11])=[O:12].[C:3]#[N:4]	12	11477,18875,18886,20022,35026,41133,41134,41151,41152,41153,41154,41168
+[n:1]:1:[c:2]:[c:3](-[C:4]-[N:5](-[C:6])-[C:7]):[c:8]:[n:9]:1>>[N:5](-[C:6])-[C:7].[n:1]:1:[c:2]:[c:3](-[C:4]=[O:10]):[c:8]:[n:9]:1	12	11529,11530,11531,11532,11533,14774,18419,23907,30848,32576,39185,44826
+[N:1]-[C:5](-[C:2]-[N:4]-[C:3])=[O:6]>>[N:1]-[C:5](-[C:2]-[N:4](-[C:3])-[C:8](=[O:7])-[O:9]-[C:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)=[O:6]	12	12787,13610,19124,22887,23397,25481,52249,54946,56424,56426,56479,56506
+[c:1]-[O:2]-[c:3]:1:[c:4](:[s:5]):[c:6]:[n:7]:[c:8]:[c:9]:1>>[c:3]:1(:[c:4](:[s:5]):[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:10].[c:1]-[O:2]	12	13045,18523,27881,36880,36881,40615,48251,48876,48877,48878,48879,55021
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]>>[c:1]-[O:2].[S:3](=[O:4])(=[O:5])(-[c:6])-[Cl:7]	12	13639,13640,27053,39677,45456,45460,45473,45497,45502,46138,50699,55407
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:6](=[O:5])-[c:7]:1:[c:4]:[c:3]:[c:10]:[c:9]:[c:8]:1	12	15269,17824,22279,34079,39672,52044,52045,52046,52047,56006,56007,56008
+[n:1]:[c:2]:[c:3](-[C:4]#[C:5]-[Si:8](-[C:7])(-[C:9])-[C:10]):[c:6]>>[n:1]:[c:2]:[c:3](:[c:6])-[Br:11].[C:4]#[C:5]-[Si:8](-[C:7])(-[C:9])-[C:10]	12	16374,16378,33658,33659,33660,33667,33670,33671,33685,33689,33713,33721
+[C:1]-[C:2](-[C:3])-[O:4]>>[C:1]-[C:2]=[O:4].[C:3]-[Mg:6]-[Br:5]	12	16498,19999,20479,25825,26681,37800,39161,46056,47570,47575,47583,47586
+[c:1]-[N:2]>>[c:1]-[N:2]-[C:5](=[O:6])-[C:8](-[C:3])(-[C:4])-[C:7]	12	17376,17381,17382,17393,17531,17532,17537,17538,17544,17547,17551,38518
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5](-[O:4]-[C:3]):[c:11]:[c:10]:1	12	17817,20690,39591,39779,53658,54428,54430,54435,55172,55173,55178,55179
+[n:1]:[c:2]:[c:3](-[C:4]=[O:5]):[c:6]>>[n:1]:[c:2]:[c:3](:[c:6])-[Br:7].[C:4](=[O:5])-[N:9](-[C:8])-[C:10]	12	18527,32064,32065,32094,32111,32118,32128,32148,32173,32199,32228,32232
+[n:1]:[c:2](-[C:3]=[N:4]-[O:5]):[c:6]>>[n:1]:[c:2](-[C:3]=[O:7]):[c:6].[N:4]-[O:5]	12	18867,21934,25787,25805,26893,36956,40277,44831,47023,47052,47130,47162
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	12	19873,19886,19996,20034,20404,23212,23219,23234,23391,23449,23497,56116
+[c:1]-[C:2](=[N:3]-[c:4])-[C:8]-[C:6](-[N:5])=[O:7]>>[c:1]-[C:2](-[C:8]-[C:6](-[N:5])=[O:7])=[O:16].[N:3](-[c:4])-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]	12	20661,20663,20677,20720,20729,20801,24135,24149,38524,38530,38880,39187
+[c:1]:[c:2](:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]):[c:9]>>[c:1]:[c:2](:[n:3]:[c:4](:[c:8])-[Cl:10]):[c:9].[c:5](:[c:6])(:[c:7])-[B:12](-[O:11])-[O:13]	12	20876,26880,39738,44624,44748,44756,44757,46439,46444,46466,46496,54699
+[S:1]-[N:2](-[C:3])-[C:4]-[c:5]>>[S:1]-[N:2]-[C:3].[C:4](-[c:5])-[Br:6]	12	21406,26804,39443,43424,43426,45671,45674,46117,46118,46119,46289,54157
+[S:1]-[N:2](-[C:3])-[C:4]>>[C:3]-[I:5].[S:1]-[N:2]-[C:4]	12	21439,21585,21635,23752,31433,31529,31530,31531,31534,31546,31554,31739
+[c:1]:[c:2](-[I:3]):[c:4]>>[c:1]:[c:2]:[c:4].[I:3]-[Cl:5]	12	25366,27331,27720,35158,35159,35161,35162,35163,35164,35166,35168,35169
+[C:1]-[N:2]>>[C:1](-[N:2])=[O:3]	12	26157,26995,32282,33993,39071,49973,50835,51187,51565,52757,56133,56905
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1):[c:9]>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1)-[Cl:13].[c:1]:[c:2](:[c:9])-[B:11](-[O:10])-[O:12]	12	27001,27054,38496,45682,46525,46548,46610,49009,49333,50281,53417,53519
+[c:1]:1:[c:2](-[Cl:3]):[c:4]:[n:5]:[n:6]:1>>[c:1]:1:[c:2]:[c:4]:[n:5]:[n:6]:1.[Cl:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	12	27834,28532,30870,31344,36159,39070,39753,44341,44361,44368,44373,44383
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:6](:[n:5]):[n:7]:[c:8]:[c:9]:1>>[c:3]:1(:[c:4]:[c:6](:[n:5]):[n:7]:[c:8]:[c:9]:1)-[Cl:10].[c:1]-[N:2]	12	33975,35951,36878,36879,36883,36884,36885,36886,36887,36888,36889,41381
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[c:7](:[c:8]):[c:9]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[Cl:10].[c:7](:[c:8])(:[c:9])-[B:12](-[O:11])-[O:13]	12	35867,36867,36894,38653,41393,46422,46451,46499,49969,49999,51361,51844
+[n:1]:[c:2](-[O:3]):[c:4]>>[n:1]:[c:2](-[O:3]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1):[c:4]	12	38123,51843,52693,52694,52766,52767,52769,52770,52771,55001,56646,56874
+[O:1]-[C:2]>>[O:1](-[C:2])-[Si:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[C:19](-[C:3])(-[C:4])-[C:18]	12	53056,53060,53061,53062,53063,53067,53069,53072,53077,53081,53083,57026
+[C:1](-[C:2]-[O:3]-[c:4])=[O:5]>>[C:1](-[C:2]-[Br:6])=[O:5].[O:3]-[c:4]	11	713,726,3695,27360,33518,43592,48248,50438,51501,51990,54595
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[P:5](-[Br:4])-[Br:6].[C:1]-[C:2]-[O:7]	11	944,950,967,974,981,986,993,995,1003,1004,1014
+[c:1]:[c:2](-[C:3](-[c:4])-[O:6]):[c:5]>>[c:1]:[c:2](:[c:5])-[Mg:8]-[Br:7].[C:3](-[c:4])=[O:6]	11	1026,29399,44696,44697,44707,44813,48472,50993,54424,54553,55491
+[c:1]:[c:2](-[C:3](-[c:4])=[O:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Mg:8]-[Br:7].[C:3](-[c:4])(=[O:5])-[N:11](-[O:10]-[C:9])-[C:12]	11	1029,1031,20800,20828,35887,38461,42694,48312,49015,49016,51273
+[c:1]-[O:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:7].[c:1]-[O:2]	11	1144,5731,7035,7541,24088,34520,37066,42371,42375,51624,55638
+[C:1]-[N:3]-[C:2]=[O:4]>>[C:1]-[N:3].[C:2](=[O:4])-[O:5]	11	1180,6388,17494,26476,34236,46912,46917,46919,46920,46922,46923
+[C:1]-[C:2](-[N:3]-[N:4]-[C:5]=[O:6])=[O:7]>>[C:1]-[C:2](=[O:7])-[O:8].[N:3]-[N:4]-[C:5]=[O:6]	11	1524,3915,6480,10397,16809,20643,38378,41561,44167,48419,54195
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:8].[N:5](-[C:6])-[C:7]	11	1638,1646,1650,1661,1663,1671,1675,1682,1684,1686,1687
+[C:1]-[O:6]-[S:3](-[C:2])(=[O:4])=[O:5]>>[C:1]-[O:6].[C:2]-[S:3](=[O:4])(=[O:5])-[O:8]-[S:10](=[O:7])(-[C:9])=[O:11]	11	1731,4189,10882,15370,16274,20620,22738,39329,45239,45240,45241
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[C:3](=[O:4])(-[C:5]=[C:6])-[O:7].[C:1]-[N:2]	11	1749,1750,6372,9967,16524,23720,29727,39885,39886,48423,49397
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-[C:8](-[N:7])=[O:9]):[n:10]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:11]):[n:10].[N:5]-[C:6]-[C:8](-[N:7])=[O:9]	11	1779,2871,2872,7117,17452,17504,18226,21535,25757,26629,42646
+[C:1]-[C:2]-[N:3](-[c:4])-[C:5]>>[N:3](-[c:4])-[C:5].[C:1]-[C:2]=[O:6]	11	2020,2021,2026,2028,2964,3939,13430,20245,21875,33432,51379
+[c:1]-[C:2](-[O:3])-[C:4](-[F:5])(-[F:6])-[F:7]>>[c:1]-[C:2]=[O:3].[C:4](-[F:5])(-[F:6])(-[F:7])-[Si:9](-[C:8])(-[C:10])-[C:11]	11	2055,2059,24329,26753,34516,37831,38334,38340,38343,38344,38345
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[C:7](=[O:8])-[O:10]-[C:9])=[O:11]>>[C:6](-[C:7](=[O:8])-[Cl:13])(=[O:11])-[Cl:12].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1.[C:9]-[O:10]	11	2574,2604,2621,2622,2623,2625,2626,2627,2628,2629,2630
+[C:1]-[C:2](=[O:3])-[c:4]:[c:6]:[n:5]>>[C:1]-[C:2](-[O:3])-[c:4]:[c:6]:[n:5]	11	2858,12380,23616,26502,27725,27945,39097,39110,46881,46883,49139
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+[N:1](-[c:2](:[n:3]):[c:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]>>[N:1]-[c:2](:[n:3]):[c:4].[C:5]-[C:6](-[C:7])(-[C:8])-[O:9]-[C:10](=[O:11])-[O:12]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]	11	3270,20954,21026,21028,21031,21032,21238,21242,21271,21295,21351
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:[c:9]:1:[c:8]>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[n:7]:[c:9]:1:[c:8])-[Cl:10].[C:1]-[N:2]	11	3390,10656,11616,11617,18936,23761,26623,27985,44097,44098,44099
+[C:1]-[S:2](=[O:3])(=[O:4])-[c:5]>>[C:1]-[S:2]-[c:5].[O:3]=[C:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:7](-[Cl:6]):[c:14]:1)-[O:13]-[O:4]	11	3516,12543,36538,36571,36591,36610,36645,36646,36667,36677,36691
+[N:1]-[C:7](-[C:5](=[C:3](-[N:2])-[N:4])-[N:6])=[O:8]>>[N:1]-[C:7](-[C:5](=[C:3](-[N:2])-[N:4])-[N:6]=[O:9])=[O:8]	11	3860,6842,6847,6848,6849,6888,7104,36173,41632,42085,54342
+[c:1]:[c:2](-[C:3]=[C:4]):[c:5]>>[C:3]=[C:4].[c:1]:[c:2](:[c:5])-[Br:6]	11	4212,14239,24193,32482,36130,39280,48803,49644,49674,54084,54085
+[C:1]-[C:2]-[Cl:3]>>[C:1]-[C:2]-[O:6].[Cl:3]-[C:5]-[Cl:4]	11	4253,5655,6671,25717,35084,35103,35104,35113,35114,35122,35126
+[C:1]-[O:2]-[c:3](:[c:4]):[c:6]:[c:5]:[n:7]>>[c:3](:[c:4])(:[c:6]:[c:5]:[n:7])-[F:8].[C:1]-[O:2]	11	4596,4606,5276,12836,19266,30420,30421,30422,30499,33147,40045
+[c:1]-[N:2]=[N:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5]):[c:6].[N:3](=[O:7])-[O:8].[c:1]-[N:2]	11	4659,30266,32529,42691,44193,44631,45287,45368,46123,47199,47229
+[C:1](-[C:2](=[O:3])-[O:4])-[N:5]-[C:7](-[C:6])=[O:8]>>[C:6]-[C:7](=[O:8])-[Cl:9].[C:1](-[C:2](=[O:3])-[O:4])-[N:5]	11	4763,6235,8928,10037,26467,34810,37681,37682,43813,44061,44171
+[O:1]=[C:2](-[C:3])-[N:5](-[c:4])-[C:6]-[C:7]>>[O:1]=[C:2](-[C:3])-[N:5]-[c:4].[C:6](-[C:7])-[I:8]	11	4871,4872,4873,4880,4881,4882,21594,29951,30054,30077,30091
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2](=[O:4])-[O:6]-[C:5]-[C:7].[N:3]	11	4912,14216,14241,16321,20492,27483,32435,40695,40765,40819,40831
+[c:1]:[c:2](-[C:3]-[N:4]):[n:5]>>[c:1]:[c:2](-[C:3](-[N:4])=[O:6]):[n:5]	11	5025,6658,14653,21972,21973,31892,48581,54609,55655,56765,57173
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]>>[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[C:11].[C:1]-[C:2](-[O:12]-[C:13])(-[O:14]-[C:15])-[O:17]-[C:16]	11	5049,5915,26052,27125,33214,33215,33216,33218,43118,43121,43122
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](-[O:4])(-[C:5])=[O:7].[C:1]-[N:2]-[C:6]	11	5098,5100,5101,6874,7257,7724,9732,32631,33727,50760,51299
+[C:1]-[C:2]-[C:3]>>[C:1]=[C:2]-[C:3]	11	6137,17750,22006,23484,24784,49240,50709,51554,54314,55760,56018
+[N:1]-[C:2](-[C:3])-[C:4]>>[N:1](=[C:2](-[C:3])-[C:4])-[O:5]	11	6872,8015,13327,28696,34526,49548,50341,50450,52278,52316,52383
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[B:3](-[O:4])(-[O:5])-[B:13]-1-[O:12]-[C:11]-[C:9](-[C:8])(-[C:10])-[C:15]-[O:14]-1	11	6918,13049,22345,43702,43703,43704,43705,43706,43707,43708,43709
+[N:1]#[C:2]-[C:3](-[N:4](-[C:5])-[C:6])(-[C:7])-[C:8]>>[C:3](-[C:7])(-[C:8])=[O:9].[N:4](-[C:5])-[C:6].[N:1]#[C:2]	11	7585,9175,11496,11662,12284,12689,12712,22511,26294,26296,29854
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]>>[C:1]-[C:2](-[C:4])=[O:5].[C:3]-[Mg:7]-[Br:6]	11	7594,9236,9529,10091,11570,22491,40180,43661,43824,47561,47585
+[n:1]:[c:2](:[n:3])-[S:6](=[O:4])(-[C:5])=[O:7]>>[n:1]:[c:2](:[n:3])-[S:6]-[C:5].[O:4]=[C:14](-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:9](-[Cl:8]):[c:16]:1)-[O:15]-[O:7]	11	9058,12972,27023,27887,34327,34379,36548,36584,36634,36656,36688
+[N:1]#[C:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:9].[N:1]#[C:2]	11	9144,9393,14011,17749,20557,20627,24011,26806,41074,41143,41189
+[C:1]-[N:2](-[C:3]#[N:5])-[C:4]>>[C:1]-[N:2]-[C:4].[C:3](#[N:5])-[Br:6]	11	9657,9705,9793,11513,12887,14823,14852,14903,15227,16222,19645
+[c:1]:1:[c:2]:[n:3]:[c:4](-[Cl:5]):[n:6]:[c:7]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:6]:[c:7]:1)-[O:12].[Cl:5]-[P:9](=[O:8])(-[Cl:10])-[Cl:11]	11	9866,27845,27884,31099,34693,35206,35212,35218,35272,35315,35518
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1>>[c:1]:[c:2]:1:[n:3](:[c:4]:[c:5]:[c:6]:1)-[S:8](=[O:7])(=[O:9])-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2	11	9962,10048,14161,14163,19256,45159,46188,46189,46252,53035,53768
+[n:1]:[c:2](-[C:3](-[N:4])=[S:5]):[c:6]>>[n:1]:[c:2](-[C:3](-[N:4])=[O:14]):[c:6].[S:5]=[P:24]-1(-[S:11]-[P:21](-[c:20]:2:[c:12]:[c:13]:[c:17](-[O:16]-[C:15]):[c:18]:[c:19]:2)(=[S:22])-[S:23]-1)-[c:25]:3:[c:10]:[c:9]:[c:28](-[O:7]-[C:8]):[c:27]:[c:26]:3	11	10297,45277,45297,45299,45301,45532,45549,46216,46219,49905,55380
+[O:1]=[C:2](-[C:3])-[N:4]-[N:5]>>[O:1]=[C:2](-[C:3])-[O:8]-[C:7]-[C:6].[N:4]-[N:5]	11	10684,14248,14286,16099,27742,36784,36897,37376,37793,41454,42299
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7]>>[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7])-[Cl:10].[c:1]-[N:2]	11	11199,14030,14262,27655,34507,45641,48376,51438,51846,52818,54923
+[c:1](:[c:2]-[C:3](-[N:4])=[O:6]):[n:5]>>[c:1](:[c:2]-[C:3]#[N:4]):[n:5].[O:6]-[O:7]	11	11316,11655,13323,17837,19803,21876,41329,41339,47285,47286,47302
+[c:1]:[c:2](-[c:3](:[c:4]):[n:6]:[n:5]):[c:7]>>[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:17].[c:1]:[c:2](:[c:7])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16]	11	11586,14480,28354,28675,28676,28677,29071,29112,29115,29148,29241
+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1>>[c:1]:1:[c:2]:[n:3](:[n:4]:[c:5]:1)-[C:9]-2-[C:8]-[C:7]-[C:6]-[C:11]-[O:10]-2	11	12854,12915,13499,27411,30232,34612,37138,52258,56999,57020,57167
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[n:10]:1>>[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[N:10].[c:1]-[C:2]=[O:11]	11	12966,14434,32421,34500,36447,38798,41976,41978,42503,42713,48377
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[B:10]-1-[O:9]-[C:8]-[C:15](-[C:7])(-[C:12]-[O:11]-1)-[C:14].[c:1]:[c:2](:[c:6])-[Br:13]	11	13041,13632,16232,16233,16234,16235,16236,22773,28809,28810,43711
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[O:11]-[B:9](-[O:8])-[O:10].[c:1]:[c:2](:[c:6])-[Br:7]	11	13282,19818,26784,29408,33495,44247,44248,46394,46395,46396,46397
+[c:1]-[O:2]-[C:3]-[c:4]:[c:6]:[n:5]>>[C:3](-[c:4]:[c:6]:[n:5])-[Cl:7].[c:1]-[O:2]	11	14611,27674,34576,39256,41625,48445,48503,49589,54500,54656,55853
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[C:1]-[C:2](-[C:8]-[C:6]#[N:7])=[O:9].[N:3]-[N:4]-[c:5]	11	17151,17301,17302,17304,17305,17306,17307,17308,29645,37654,52609
+[c:1]-[N:2]-[C:3]=[O:4]>>[c:1]-[N:2].[C:3](=[O:4])-[O:5]	11	17866,25380,33986,39515,42653,42681,42718,46896,46910,46914,46918
+[c:1]:[c:2](-[O:3]-[c:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[I:6].[O:3]-[c:4]	11	18266,18488,21982,22853,36857,43594,48326,49315,50983,52828,53553
+[N:1]-[c:2](:[n:3]):[c:4]>>[N:1](-[c:2](:[n:3]):[c:4])-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7](-[O:6]-[C:5]):[c:13]:[c:12]:1	11	22704,54386,54391,54392,54393,55162,55163,55164,55165,55166,56948
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[I:16].[c:1]:[c:2](:[c:6])-[B:11]-1-[O:10]-[C:8](-[C:7])(-[C:9])-[C:13](-[O:12]-1)(-[C:14])-[C:15]	11	23509,23510,27457,28431,28470,28963,28964,29131,29132,29219,29245
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6]):[n:9]:1:[c:8]:[c:7]>>[C:1]-[C:2](-[N:3]-[N:4]-[c:5](:[c:6]):[n:9]:[c:8]:[c:7])=[O:10]	11	23710,24918,24919,25982,26382,26383,26384,28705,39932,48318,51848
+[O:1]-[C:2](-[C:3]-[C:4])-[c:5]>>[C:3](-[C:4])-[Mg:7]-[Br:6].[O:1]=[C:2]-[c:5]	11	26869,29915,31271,31273,31274,31276,31279,33561,39281,47590,52273
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5](-[F:6])(-[F:7])-[F:8]>>[c:1]-[N:2].[C:3](=[O:4])(-[C:5](-[F:6])(-[F:7])-[F:8])-[O:11]-[C:10](=[O:9])-[C:12](-[F:13])(-[F:14])-[F:15]	11	27288,37305,37306,37321,37322,37326,37327,37334,37337,37339,37341
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](=[O:3])-[N:6](-[O:5]-[C:4])-[C:7]	11	27853,32527,34445,35920,36116,38715,39136,39139,39231,48605,48882
+[c:1]-[C:2](=[N:3])-[Cl:4]>>[c:1]-[C:2]=[N:3].[Cl:4]-[N:11]-1-[C:6](=[O:5])-[C:7]-[C:8]-[C:9]-1=[O:10]	11	28902,29485,36946,37995,38753,39435,40370,44335,44370,44374,44378
+[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1>>[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:14]-[O:13]-[C:12]-[C:11]-[Si:8](-[C:7])(-[C:9])-[C:10]	11	34003,34009,34011,34012,34016,34017,34061,34067,34071,34072,34076
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[O:9]-[S:7](=[O:6])(=[O:8])-[C:10](-[F:11])(-[F:12])-[F:13].[C:3]#[N:4]	11	38264,38283,38284,38286,38300,38302,38304,38305,38307,38308,38311
+[c:1]:1:[n:2]:[n:3](-[C:4]-[C:5](=[O:6])-[O:9]):[c:7]:[c:8]:1>>[C:4](-[C:5](=[O:6])-[O:9])-[Br:10].[c:1]:1:[n:2]:[n:3]:[c:7]:[c:8]:1	10	685,18113,18159,30634,30640,30643,30666,30670,30686,30730
+[c:1]-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]>>[C:3](-[C:4])-[Br:7].[C:5]-[C:6]-[Br:8].[c:1]-[N:2]	10	880,881,882,883,884,891,892,893,894,4515
+[n:1]:[c:2](-[O:3]-[C:5]):[c:4]>>[n:1]:[c:2](-[O:3]):[c:4].[C:5]-[I:6]	10	1056,5806,5946,31321,31381,31459,31643,31717,31841,31842
+[c:1]:[c:2](-[C:3](-[N:4])=[O:6]):[s:5]>>[c:1]:[c:2](-[C:3](=[O:6])-[O:7]):[s:5].[N:4]	10	1190,14614,16033,40715,40883,40917,40918,40919,41007,41009
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[o:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]):[o:7].[N:5]-[c:6]	10	1235,1236,20025,25456,27727,36364,42683,43390,48961,53211
+[C:1]-[C:2]#[C:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[C:1]-[C:2]#[C:3].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:9]	10	1353,1365,1383,1399,4256,5567,12848,48869,50352,51478
+[C:1](-[C:2](=[O:6])-[O:7])-[C:3](-[C:4])-[O:5]>>[C:1](-[C:2](=[O:6])-[O:7])-[C:3](-[C:4])=[O:5]	10	1554,3823,11975,18042,18171,23228,54734,56183,56237,56647
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:7].[N:5]-[C:6]	10	1644,1651,1653,1654,1667,1669,1670,1683,4401,52740
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[Cl:8].[c:1]-[N:2]	10	1947,1948,1949,6604,6606,6607,38318,39957,40298,51568
+[c:1]-[N:2]-[C:3](-[N:4]-[c:5])=[S:6]>>[C:3](=[N:4]-[c:5])=[S:6].[c:1]-[N:2]	10	2062,25160,36358,38479,41417,45912,49239,50401,50575,53554
+[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:7])-[C:6]>>[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[O:7])-[C:6]	10	2806,7456,11495,13326,18812,21606,27520,31953,54056,56232
+[n:1]:[c:2](-[N:3]=[C:4]=[O:5]):[s:6]>>[n:1]:[c:2](-[N:3]):[s:6].[C:4](=[O:5])(-[Cl:7])-[Cl:8]	10	2853,11438,25776,34941,34948,34949,34950,34951,34953,34956
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[N:6])-[Cl:7]	10	3071,7545,7717,13802,14782,22891,25514,27040,31926,31927
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[n:9]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:10]):[n:9]	10	3141,3960,11604,12710,15604,20878,22683,32635,39060,40194
+[C:1]-[N:2](-[C:3])-[c:4]:1:[n:5]:[c:6]:[n:7]:[c:8](:[c:9]:1):[n:10]>>[C:1]-[N:2]-[C:3].[c:4]:1(:[n:5]:[c:6]:[n:7]:[c:8](:[c:9]:1):[n:10])-[Cl:11]	10	3153,7864,14740,15647,15648,15684,18640,19728,23855,43638
+[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:8]):[s:7]>>[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:13]):[s:7].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	10	3210,8843,19793,35197,35216,35242,35302,35334,35487,35524
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:10]-[C:9]-[C:8].[C:1]-[N:2]	10	3217,11013,30176,30208,31088,31178,34310,41942,49583,56875
+[n:1]:[c:3](:[c:2])-[N:4]-[c:5](:[c:6]):[c:7]>>[n:1]:[c:3](:[c:2])-[N:4].[c:5](:[c:6])(:[c:7])-[Br:8]	10	3314,20765,21795,34272,42839,49108,49815,51030,52772,53497
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:1]-[N:2]-[C:4](=[O:5])-[C:6].[C:3]-[I:7]	10	3532,8001,13532,22778,31399,31400,31401,31504,31802,31832
+[C:1]-[C:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:6]	10	3663,8906,9288,17464,18814,23390,24792,30946,53686,56079
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[n:7]>>[C:4](=[O:5])(-[C:6])-[Cl:8].[n:1]:[c:2](-[N:3]):[n:7]	10	3924,3930,4760,10597,10601,10629,23025,26443,32510,39679
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:10]-[C:9]	10	4587,6677,15455,17677,26979,30172,38841,46936,54814,55352
+[C:1]-[S:2]-[C:3]-[C:4]>>[C:1]-[S:2].[C:3](-[C:4])-[O:9]-[S:6](-[C:5])(=[O:7])=[O:8]	10	4674,11475,18652,20020,22280,22282,31258,38665,45873,47465
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[c:6]):[c:7]:[c:8]:1>>[n:1]:1:[c:2]:[c:3]:[c:7]:[c:8]:1.[C:4](=[O:5])(-[c:6])-[Cl:9]	10	4805,14448,36727,40326,45588,48570,50172,50251,50301,50303
+[C:1]-[C:2]-[O:3]-[c:4]:[c:6]:[n:5]>>[C:1]-[C:2]-[I:7].[O:3]-[c:4]:[c:6]:[n:5]	10	4884,5795,10971,17680,30038,30056,30058,30081,30128,30129
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2]=[O:3].[O:4]-[C:6](-[C:5])(-[C:7])-[C:8]	10	5801,17921,17926,17945,17946,17947,17948,17961,17964,17986
+[c:1]:[c:2]:1:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[c:8]:[c:9]:[n:10]:1>>[c:1]:[c:2]:1:[n:3]:[c:4](:[c:8]:[c:9]:[n:10]:1)-[Cl:11].[N:5](-[C:6])-[C:7]	10	6987,7720,7722,7727,10274,11205,15078,15609,31139,31140
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[C:1]-[C:2](-[N:3]-[c:4](:[c:5](:[c:6])-[N:8]):[c:7])=[O:9]	10	7595,10190,16133,19021,19913,22158,22159,42465,48239,48554
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[C:1]-[C:2](=[O:3])-[N:4]-[O:5]-[C:9]-1-[C:8]-[C:7]-[C:6]-[C:11]-[O:10]-1	10	7858,10578,44851,44860,46141,52203,53216,53516,54241,55907
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[O:6]>>[N:5]-[O:6].[C:1]=[C:2]-[C:3](=[O:4])-[O:7]	10	7859,11459,16281,16285,16289,16290,16292,16295,16297,47024
+[c:1](:[n:2]):[c:8]:1:[n:3]:[c:4]:[n:5]:[c:6]:1-[Br:7]>>[Br:7]-[N:14]-1-[C:9](-[C:10]-[C:11]-[C:12]-1=[O:13])=[O:15].[c:1](:[n:2]):[c:8]:1:[n:3]:[c:4]:[n:5]:[c:6]:1	10	8086,8087,8088,8098,8220,8367,8368,8730,8731,8750
+[c:1](:[c:2]-[C:3]-[Br:4]):[s:5]>>[c:1](:[c:2]-[C:3]):[s:5].[Br:4]-[N:10]-1-[C:8](-[C:7]-[C:6]-[C:12]-1=[O:11])=[O:9]	10	8100,8265,8304,8325,8487,8513,8524,8628,8643,8711
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:3](:[c:4])(:[c:6]:[n:5])-[I:8].[c:1]:[c:2](:[c:7])-[B:10](-[O:9])-[O:11]	10	8819,14252,16150,39607,39687,40602,40617,42812,46654,50060
+[c:1]-[n:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[N:2].[C:3](-[O:9]-[C:8]-[C:7])(-[O:10]-[C:11]-[C:12])-[O:13]-[C:14]-[C:15].[N-:4]=[N+:5]=[N-:6]	10	8883,19397,28840,31037,31038,31046,31047,31048,31049,31050
+[c:1]:[c:2]:1:[n:3]:[c:4](-[N:5]-[C:6]):[n:7]:[c:8]:[c:9]:1>>[N:5]-[C:6].[c:1]:[c:2]:1:[n:3]:[c:4](:[n:7]:[c:8]:[c:9]:1)-[Cl:10]	10	9493,14340,19154,19573,22224,23548,23605,23890,29981,51240
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1)-[Cl:9].[C:1]-[O:2]	10	9954,10859,13582,21986,23003,32866,33084,37900,42433,54684
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1):[c:8]>>[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	10	10226,17528,17558,34736,34737,38502,45379,45973,46434,46435
+[c:1]:[c:3](:[n:2])-[C:4]-[C:5]-[c:6]>>[c:1]:[c:3](:[n:2])-[C:4]#[C:5]-[c:6]	10	10479,10529,17179,19313,22745,24216,39392,39812,39846,49809
+[c:1]:[c:2](-[N:3]-[S:4](-[C:5])(=[O:6])=[O:7]):[n:8]>>[c:1]:[c:2](-[N:3]):[n:8].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:9]	10	10633,15981,21472,29630,44897,44910,44953,45051,45341,45418
+[c:1]:[c:2](-[c:3](:[c:4]):[c:7]:[c:6]:[n:5]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3](:[c:4])(:[c:7]:[c:6]:[n:5])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	10	10636,11539,11541,28467,29063,29228,29246,29247,29249,29250
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1>>[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:10]-2-[C:9]-[C:8]-[C:7]-[C:12]-[O:11]-2	10	11273,11455,12009,13421,26853,32429,39533,49669,55622,55991
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:3]-1-[O:4]-[C:5]-[C:6]-[C:7]-[C:8]-1	10	11930,16299,16300,25426,38108,40032,43697,49336,54043,56728
+[O:1]=[C:2](-[N:3](-[C:4]-[c:5])-[C:6])-[C:7]>>[O:1]=[C:2](-[N:3]-[C:6])-[C:7].[C:4](-[c:5])-[Br:8]	10	12322,12323,13071,18835,20176,22102,22784,24722,24723,48872
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5](:[c:6]):[c:7]>>[c:5](:[c:6])(:[c:7])-[Br:8].[C:3]=[O:4].[C:1]-[O:2]	10	12932,16589,16600,16603,16642,16643,16644,16647,16650,16651
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[N:4](-[C:5])-[c:6].[C:1]-[C:2](=[O:3])-[O:10]-[C:8](-[C:7])=[O:9]	10	13271,16076,16825,16865,16889,16955,16966,17053,17093,17101
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[s:8]:1>>[c:5](:[c:6])(:[c:7])-[Br:9].[c:1]:1:[c:2]:[c:3]:[c:4](:[s:8]:1)-[B:11](-[O:10])-[O:12]	10	13621,24184,41368,44723,46789,46790,46791,46792,46793,46795
+[C:1](=[O:2])(-[N:3]-[c:4](:[n:5]):[s:6])-[O:7]>>[N:3]-[c:4](:[n:5]):[s:6].[C:1](=[O:2])(-[O:7])-[Cl:8]	10	14495,14541,20788,30782,42849,42860,42864,42868,46140,49761
+[c:1]:[c:2](-[N:3]-[C:4]-[c:5]):[n:6]>>[c:1]:[c:2](-[N:3]):[n:6].[C:4](-[c:5])=[O:7]	10	14546,36046,36048,36292,36850,42748,44674,49719,49817,54551
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]-1-[O:3]-[C:5]-[C:4]-[O:6]-1	10	15296,15298,15299,15300,15301,15302,43868,43869,43870,43871
+[c:1]:[c:2](-[C:3]-[O:7]):[n:4]:[c:5]:[c:6]>>[c:1]:[c:2](-[C:3]):[n+:4](:[c:5]:[c:6])-[O-:7]	10	15364,16305,33237,33285,33301,48115,48119,49501,51458,52974
+[c:1]-[C:2](=[O:3])-[c:4]:[c:6]:[n:5]>>[c:1]-[C:2](-[O:3])-[c:4]:[c:6]:[n:5]	10	17546,35936,44311,45364,45715,48141,48153,48154,53803,56306
+[c:1]-[S:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[F:6].[c:1]-[S:2]	10	18000,44805,48070,48075,49032,50538,50785,50958,53010,53551
+[c:1]-[N:2](-[C:3])-[C:4]=[O:5]>>[c:1]-[N:2]-[C:4]=[O:5].[C:3]-[I:6]	10	21666,31442,31443,31471,31494,31496,31665,31708,31786,31812
+[N:1]-[C:2]-[c:3]>>[N:1](=[C:2]-[c:3])-[O:4]	10	21758,24465,29397,29455,33527,40334,50915,53997,55204,55329
+[O:1]-[c:2]>>[O:1](-[c:2])-[C:6](=[O:5])-[c:7]:1:[c:4]:[c:3]:[c:10]:[c:9]:[c:8]:1	10	24093,39192,51958,51959,52049,52050,52051,52052,53353,55022
+[C:1]-[n:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:1>>[n:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:1.[C:1]-[I:7]	10	25449,31122,31448,31468,31571,31649,31683,31755,31758,31766
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2].[O:3]=[Mn:6](=[O:5])(=[O:7])-[O:8].[O:4]	10	25527,33364,33479,34552,34558,42904,42905,42906,42907,42908
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[s:6]:1):[c:7]):[c:8]>>[N:3]-[c:4](:[c:5]:[c:7]):[c:8].[N:1]#[C:2]-[S:6]	10	26153,37556,37558,47475,47477,47479,47480,47481,47482,47483
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]):[s:6])-[C:7]>>[C:3](-[c:4](:[c:5]):[s:6])-[Cl:8].[C:1]-[N:2]-[C:7]	10	29322,41460,46080,46848,46849,46850,51989,53799,54567,54568
+[c:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7].[c:1]-[C:2]-[Br:9]	10	33351,36739,38733,38778,39040,41340,49197,50998,50999,51413
+[c:1]-[O:2]-[C:3](-[F:4])-[F:5]>>[c:1]-[O:2].[C:3](-[F:4])(-[F:5])(-[C:7](=[O:6])-[O:8])-[Cl:9]	10	35963,37119,37120,37121,37122,37123,37124,37125,37127,37128
+[c:1]:[c:2](-[S:3]-[c:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[Cl:6].[S:3]-[c:4]	10	36100,36192,36247,36495,39163,48092,48836,50791,53009,53454
+[c:1]-[S:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[I:6].[c:1]-[S:2]	10	37248,39230,39763,42497,44308,48693,49562,50627,50663,51051
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:6]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[C:8](-[F:7])(-[F:9])-[F:10].[O:6]	10	37359,37363,37364,37365,37636,37637,37638,37661,37662,37663
+[c:1]-[N:10]>>[c:1]-[N:10]=[C:15](-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:[c:7]:1)-[c:14]:2:[c:8]:[c:9]:[c:11]:[c:12]:[c:13]:2	10	52120,52122,52124,52126,52127,52128,52129,56110,56111,56112
+[O:1]=[C:2](-[C:3])-[N:5]-[c:4]>>[O:1]=[C:2](-[C:3])-[Br:6].[c:4]-[N:5]	9	603,607,608,610,611,616,2221,17172,29634
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2]-[Br:5].[C:3]#[N:4]	9	722,15907,24965,25946,37474,41010,41030,41111,41162
+[C:1]-[N:2](-[C:3]-[C:4])-[S:5]>>[C:3](-[C:4])-[Br:6].[C:1]-[N:2]-[S:5]	9	797,798,1550,4844,5583,8970,24949,27109,30963
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Mg:8]-[Br:7].[C:1]-[C:2](=[O:3])-[N:11](-[O:10]-[C:9])-[C:12]	9	1027,1030,22160,23180,44082,44083,49125,54889,56028
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]-[C:7]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:8].[O:5]-[C:7].[C:3](=[O:4])-[N:10](-[C:9])-[C:11]	9	1080,24396,25669,31899,32043,32047,32048,32049,32051
+[c:1]:[c:2](-[N:3]-[c:4](:[n:5]):[c:6]):[n:7]:[c:8]:[c:9]>>[c:1]:[c:2](:[n:7]:[c:8]:[c:9])-[Br:10].[N:3]-[c:4](:[n:5]):[c:6]	9	1086,1087,10733,33578,34535,39088,39956,49820,50016
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]):[c:8]):[c:9]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[Br:12].[c:6](:[c:7])(:[c:8])-[B:10](-[O:11])-[O:13]	9	1174,37045,37046,37451,44833,46519,46740,48516,53412
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[s:7]:1):[c:8]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[s:7]:1)-[Br:13].[c:1]:[c:2](:[c:8])-[B:18]-1-[O:9]-[C:10](-[C:11])(-[C:12])-[C:15](-[C:14])(-[C:16])-[O:17]-1	9	1204,11559,11902,16160,21494,28704,28976,29106,29164
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[c:8]:[s:9]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:10]):[c:8]:[s:9].[N:5](-[C:6])-[C:7]	9	1207,3274,11548,20388,24233,37533,37534,37542,39782
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[C:6]#[C:7]):[n:8]:1>>[C:6]#[C:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:8]:1)-[Cl:9]	9	1463,1621,1622,10390,10391,10392,17218,37298,53502
+[C:1]-[C:2]-[N:3]-[c:4]:[c:6]:[n:5]>>[N:3]-[c:4]:[c:6]:[n:5].[C:1]-[C:2]=[O:7]	9	2023,18968,21451,26555,29371,29805,39162,43443,44594
+[C:1]-[C:2](-[N:3])-[c:4]>>[C:1]-[C:2](=[N:3]-[O:5])-[c:4]	9	2217,2956,23171,46818,49682,49896,54985,55275,55285
+[c:1]-[C:2](-[C:3])-[N:4]=[N+:8]=[N-:7]>>[c:1]-[C:2](-[C:3])-[O:6].[N:4](=[N+:8]=[N-:7])-[P:10](=[O:9])(-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)-[c:17]:2:[c:5]:[c:21]:[c:20]:[c:19]:[c:18]:2	9	2863,3882,10351,38306,38419,48456,52006,52992,52994
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1>>[c:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1)-[Cl:9]	9	3245,7539,7544,12815,36243,44100,47824,49010,56731
+[C:1](-[O:2])-[C:3]-[N:4]-[c:5]>>[C:1]-1-[O:2]-[C:3]-1.[N:4]-[c:5]	9	3303,3861,10888,11113,12330,12552,20424,20425,36355
+[c:1]:1:[c:2](-[Cl:3]):[n:4]:[c:5]:[n:6]:1>>[c:1]:1:[c:2]:[n:4]:[c:5]:[n:6]:1.[Cl:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	9	3441,5346,13423,19785,36401,36406,39562,44329,44352
+[c:1]:1:[c:2](-[N:3]-[c:4](:[n:5]):[c:6]):[c:7]:[c:8]:[n:9]:[n:10]:1>>[N:3]-[c:4](:[n:5]):[c:6].[c:1]:1:[c:2](:[c:7]:[c:8]:[n:9]:[n:10]:1)-[Cl:11]	9	3444,3445,3446,3447,3448,3449,3450,3451,25731
+[c:1]-[C:2]=[C:3](-[C:4])-[C:5]>>[c:1]-[C:2]-[P:6](=[O:7])(-[O:8]-[C:9]-[C:10])-[O:14]-[C:13]-[C:12].[C:3](-[C:4])(-[C:5])=[O:11]	9	3475,10172,17460,22503,22504,22517,26298,38424,39574
+[N:1]#[C:2]-[C:3](=[C:4]-[C:5])-[C:6](=[O:7])-[N:8]>>[N:1]#[C:2]-[C:3]-[C:6](=[O:7])-[N:8].[C:4](-[C:5])=[O:9]	9	3564,10752,10755,10756,10757,10758,10762,16136,17712
+[C:1]=[C:2]-[C:3]-[O:4]-[C:5]>>[C:1]=[C:2]-[C:3]-[Br:6].[O:4]-[C:5]	9	3595,3596,3597,3601,3611,3637,3643,3645,3650
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1-[C:9]):[c:7]>>[C:1]-[C:2](=[O:10])-[Cl:11].[N:3]-[c:4](:[c:5](:[c:6])-[N:8]-[C:9]):[c:7]	9	4107,5879,9021,9361,11705,15427,15498,17631,26459
+[C:1](-[O:2])-[C:3]-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-1-[O:2]-[C:3]-1	9	4125,9001,15258,27273,29744,33020,33173,46982,53795
+[N:1](-[C:2]-[C:3])(-[C:5]=[O:4])-[C:6]=[O:7]>>[C:2](-[C:3])-[Cl:8].[N:1](-[C:5]=[O:4])-[C:6]=[O:7]	9	4184,4664,6056,6722,25882,48801,54845,55814,55816
+[C:1](=[O:2])-[O:3]-[c:4](:[c:5]):[c:6]>>[C:1](=[O:2])-[O:3].[c:4](:[c:5])(:[c:6])-[O:7]	9	4291,6154,27817,33587,40088,48256,50821,53631,55063
+[C:1]-[N:2]=[C:3]-[c:4]>>[C:3](-[c:4])=[O:5].[C:1]-[N:2]	9	4576,12980,14387,14426,25054,29876,32305,41825,42005
+[C:1]-[N:2]-1-[C:3]-[c:4]:[c:5]-[C:6]-1=[O:7]>>[C:1]-[N:2].[C:3](-[c:4]:[c:5]-[C:6](=[O:7])-[O:9]-[C:8])-[Br:10]	9	4586,6100,6103,6104,6297,6547,6548,6585,23892
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[n:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5](:[n:6]):[n:7])-[O:8]	9	4615,7183,18832,22118,31314,31316,31317,42095,51885
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[c:9]:[n:10]:1:2>>[C:1]-[C:2](-[N:3]-[C:4]-[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:[n:10]:1)=[O:11]	9	4820,9353,28728,39867,56415,57049,57050,57051,57052
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n+:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n+:6]:[c:7]:[c:8]:1)-[Cl:9]	9	5140,5188,5279,5791,11557,15282,16308,32844,43719
+[c:1]:[c:2](-[C:3]=[C:4]-[C:5]):[c:6]>>[C:3]=[C:4]-[C:5].[c:1]:[c:2](:[c:6])-[Br:7]	9	5195,9266,15433,18399,36117,36763,41248,48755,49470
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[C:1]-[C:2](=[O:8])-[O:9].[N:3]=[C:4](-[c:5])-[N:6]-[O:7]	9	5458,7581,18233,19881,20099,22132,22163,22167,29769
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[c:9]>>[C:1]-[N:2]-[c:9].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:10]	9	5636,13612,36874,36877,41462,49073,49806,49960,51381
+[c:1]-[N:2]=[C:3]=[O:4]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:9]-[C:6](-[Cl:5])(-[Cl:7])-[Cl:8])-[O:10]-[C:11](-[Cl:12])(-[Cl:13])-[Cl:14]	9	5935,22774,34875,34877,34888,34890,34896,34905,34909
+[c:1]:[c:2](-[C:3](-[N:4])=[O:5]):[n:6]>>[c:1]:[c:2](-[C:3]#[N:4]):[n:6].[O:5]-[S:8](=[O:7])(=[O:9])-[O:10]	9	6024,31218,38871,39066,39902,45792,45798,45820,45821
+[N:1](-[C:2](=[C:3](-[N:4])-[N:5])-[C:7](-[N:6])=[O:8])=[O:9]>>[C:2](=[C:3](-[N:4])-[N:5])-[C:7](-[N:6])=[O:8].[N:1](=[O:9])-[O:10]	9	6126,6844,16465,41579,42105,42106,47201,47213,47236
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[Cl:8]	9	6251,6353,6626,6629,6631,26158,28957,34483,50253
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5]-[C:7]=[O:6]>>[c:1]-[N:2].[C:3](=[S:4])=[N:5]-[C:7]=[O:6]	9	6382,15520,28769,32393,50339,50653,51939,51941,51943
+[c:1]:1:[c:2]:[n:3]:[c:4](-[Br:5]):[n:6]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:6]:1.[Br:5]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	9	6697,6841,8140,8205,8237,8241,8261,8354,8678
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[s:8]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:9]):[s:8].[N:5](-[C:6])-[C:7]	9	6699,7807,10332,13023,13882,17323,25453,32681,37438
+[c:1]:1:[n:2]:[n:3](:[c:4](:[c:5]):[c:6]:1)-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]>>[c:1]:1:[n:2]:[n:3]:[c:4](:[c:5]):[c:6]:1.[C:7]-[C:8](-[C:9])(-[C:10])-[O:11]-[C:12](=[O:13])-[O:14]-[C:20](-[O:19]-[C:16](-[C:15])(-[C:17])-[C:18])=[O:21]	9	6724,20936,20939,20952,21147,21190,21304,21353,21354
+[n:1]:[c:3]:1:[c:2]:[c:7](:[n:6]:[c:5]:[n:4]:1)-[N:8]>>[n:1]:[c:3]:1:[c:2]:[c:7](:[n:6]:[c:5]:[n:4]:1)-[Cl:9].[N:8]	9	6890,9523,11868,11870,13998,14623,27866,40849,40934
+[c:1]:[c:2](-[O:3]-[C:4]):[c:5]:[n:6]>>[c:1]:[c:2](:[c:5]:[n:6])-[F:7].[O:3]-[C:4]	9	6917,13158,26220,27516,27525,27528,27788,28785,30331
+[C:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1>>[C:1]-[C:2]-[Cl:8].[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1	9	6938,9857,16158,36359,41624,43778,51297,53267,56702
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2]#[N:5].[O:3].[O:4]	9	6973,10979,12204,26723,38547,42873,42876,42878,42879
+[c:1]:[c:2](-[c:3]:1:[c:4](-[c:5]):[n:6]:[c:7](-[C:8]):[s:9]:1):[n:10]>>[N:6]-[C:7](-[C:8])=[S:9].[c:1]:[c:2](-[C:3]-[C:4](-[c:5])=[O:11]):[n:10]	9	7031,17438,17439,19017,19018,23277,26461,26462,26463
+[C:1](-[c:2](:[c:3]:[n:4]):[n:5])-[O:6]>>[C:1](-[c:2](:[c:3]:[n:4]):[n:5])(=[O:6])-[O:7]-[C:9]-[C:8]	9	7122,9572,15890,15986,18375,30868,32519,48394,53523
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[Br:6]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1.[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	9	7157,8314,8335,8426,8446,8488,8602,8639,8740
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]):[n:6]>>[c:1]:[c:2](-[C:3]#[N:7]):[n:6].[O:4].[O:5]	9	7325,11390,34734,34735,40050,42872,42880,42883,42885
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[o:7]:1>>[c:1]-[C:2](-[N:3]-[N:4]-[C:5](-[C:6])=[O:8])=[O:7]	9	7520,17617,19934,24672,26494,52032,53530,53766,55119
+[c:1]-[C:2]=[N:3]-[N:4]>>[N:3]-[N:4].[c:1]-[C:2]=[O:5]	9	7562,12984,14261,14458,14559,14560,51520,51879,54117
+[c:1](:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]):[n:8]>>[N:4](-[C:5])-[C:6].[c:1](:[c:2](-[C:3]=[O:9]):[n:7]):[n:8]	9	7831,7832,10334,10860,12911,13828,13841,23908,37582
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[N:6]):[n:7]:1>>[C:5](-[N:6])#[N:8].[C:1]-[C:2](-[N:3]-[O:4])=[N:7]	9	7850,9804,9805,9806,9809,13399,13521,13569,41731
+[C:1]#[N:2]>>[C:1]#[N+:2]-[C:11]-[S:8](-[c:7]:1:[c:6]:[c:5]:[c:4](-[C:3]):[c:13]:[c:12]:1)(=[O:9])=[O:10]	9	7880,7922,8017,18065,22094,46081,52776,55401,55402
+[c:1]:[c:2](-[C:3](-[C:4]-[C:5]-[C:6](=[O:7])-[O:8])=[O:10]):[c:9]>>[c:1]:[c:2]:[c:9].[C:3]-1(-[C:4]-[C:5]-[C:6](=[O:7])-[O:8]-1)=[O:10]	9	8782,8784,8794,8795,8798,8802,8803,8805,28595
+[C:1]-[C:2](=[O:3])-[N:4](-[c:5](:[c:6]):[c:7])-[C:8]>>[C:1]-[C:2](=[O:3])-[N:4]-[C:8].[c:5](:[c:6])(:[c:7])-[I:9]	9	9143,12595,13077,19235,21542,30943,38645,42688,44457
+[C:1]-[C:2](=[O:3])-[O:11]-[N:10]-1-[C:5](=[O:4])-[C:6]-[C:7]-[C:8]-1=[O:9]>>[C:1]-[C:2](=[O:3])-[O:12].[O:4]=[C:5]-1-[C:6]-[C:7]-[C:8](=[O:9])-[N:10]-1-[O:11]	9	9263,19045,23355,26422,32276,43790,44052,44443,44444
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2]-[S:7](-[C:6])(=[O:8])=[O:9].[c:3](:[c:4])(:[c:5])-[O:10]	9	9286,9535,15432,19258,19297,20454,24217,45227,45877
+[C:1](-[N:2])-[C:3]-[O:4]>>[C:1]-1-[N:2]-[C:6](-[O:4]-[C:3]-1)=[O:5]	9	9329,10740,11491,25861,38986,39425,39452,50620,51230
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:6](-[C:5])-[C:7]	9	9564,27224,27227,27228,27229,27230,27247,27248,54057
+[C:1]-[C:2]=[C:3](-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[C:2]-[C:3](-[C:9])=[O:10].[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1	9	9609,9611,13337,13339,13341,13346,22520,22521,22522
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[c:1]-[C:2]-[O:6]	9	9755,13650,13683,15725,15727,18533,19642,48990,48991
+[c:1]-[N:2]>>[c:1]-[N:2]-[C:4](=[O:3])-[O:5]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	9	9917,9997,15943,20419,31885,38576,54166,56555,56558
+[c:1]-[N:2](-[C:3])-[C:4]>>[c:1]-[N:2]-[C:4].[C:3]-[I:5]	9	10266,20694,28549,31378,31444,31675,31718,31795,31810
+[n:1]:[c:2](-[C:3]-1=[N:4]-[C:5]-[C:6](-[C:7]-[C:8](=[O:9])-[O:12])-[S:10]-1):[c:11]>>[n:1]:[c:2](-[C:3](-[N:4])=[S:10]):[c:11].[C:5]-[C:6]#[C:7]-[C:8](=[O:9])-[O:12]	9	10296,30535,30536,30537,30538,30539,30540,30541,30547
+[c:1]:1:[c:2]:[n:3]:[c:4](-[O:5]-[c:6]):[n:7]:[c:8]:1>>[O:5]-[c:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[Cl:9]	9	10554,10564,27717,28818,29572,33586,34489,39790,55201
+[C:1]-[N:2](-[C:3]-[c:4](:[n:5]):[n:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](-[c:4](:[n:5]):[n:6])-[Cl:8]	9	10895,12736,12764,13681,14695,15080,16434,19636,47367
+[S:1](=[O:2])(=[O:3])(-[c:4])-[Cl:5]>>[S:1](=[O:2])(=[O:3])(-[c:4])-[O:9].[Cl:5]-[S:7](=[O:6])-[Cl:8]	9	10956,35622,35623,35624,35625,35627,35632,35633,35731
+[C:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:12]=[O:11]>>[C:1]-[C:2]-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9].[N:3](-[C:4]=[O:5])-[C:12]=[O:11]	9	11150,18015,38685,45197,45200,45215,45220,49936,55109
+[O:1]-[C:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]>>[O:1]=[C:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[O:10]-[C:9]-[C:8]	9	11269,20743,31104,31119,38845,39923,51536,57133,57134
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:6].[N:1]-[N:2]	9	11746,24311,42163,42174,42201,42203,42208,42222,51752
+[c:1]:[c:2](-[N:3]):[n:4]>>[c:1]:[c:2](-[n:3]:1:[c:6](-[C:5]):[c:7]:[c:8]:[c:9]:1-[C:10]):[n:4]	9	11822,34545,34546,34547,49518,49520,49521,51511,56273
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[c:1]-[C:2](=[O:3])-[O:8]	9	11856,15517,16163,24856,25720,34457,42842,42846,46058
+[c:1]:[c:2](-[n:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[n:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1	9	11963,15801,36518,38644,47822,48180,48184,53200,56977
+[C:1]-[S:2](=[O:3])(=[O:4])-[c:5]>>[C:1]-[S:2]-[c:5].[O:3]-[O:4]	9	12120,26110,28596,28773,29433,29573,45929,47271,47309
+[O:1]-[C:2]-[c:3]:1:[c:4]:[o:5]:[n:6]:[c:7]:1>>[O:1]=[C:2](-[c:3]:1:[c:4]:[o:5]:[n:6]:[c:7]:1)-[O:10]-[C:9]-[C:8]	9	12241,30847,34757,34759,34761,36756,51165,54637,55899
+[c:1]-[C:2](-[c:3])=[C:4](-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])=[O:7].[c:1]-[C:2](-[c:3])=[O:8]	9	12288,12289,12290,28664,28665,28666,28667,28668,49887
+[N:1]-[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[c:2](:[n:3]:[c:4]:[c:5])(:[c:6])-[F:7].[N:1]	9	12379,19455,19552,40748,40842,40870,40966,40983,40984
+[N:1]-[C:2]-[C:3]-[O:4]>>[C:2]-1-[C:3]-[O:4]-1.[N:1]	9	13303,24480,40660,40813,40828,40862,40881,40928,40949
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:7]:[n:6]):[c:8]>>[c:4](:[c:5])(:[c:7]:[n:6])-[Br:10].[n:1]:[c:2]:[c:3](:[c:8])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[C:9])(-[O:16]-1)-[C:18]	9	13575,15869,28479,28499,28512,29006,29007,29282,29284
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[c:3](:[c:4])(:[c:5])-[O:9]-[S:7](=[O:8])(-[C:10](-[F:11])(-[F:12])-[F:13])=[O:14]	9	13677,13678,14933,18709,19631,38287,38293,38295,38297
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[C:1]-[C:2](=[O:3])-[O:7]-[C:6].[N:4]-[O:5]	9	13919,26696,47021,47103,47128,47131,47158,47160,47542
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[C:5](-[c:6])(=[O:8])-[O:9].[c:1]-[C:2](=[N:3]-[O:4])-[N:7]	9	14474,26887,27298,38175,38176,39029,43502,51762,52039
+[N:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:[n:7]:1>>[c:2]:1(:[n:3]:[c:4]:[c:5]:[c:6]:[n:7]:1)-[Cl:8].[N:1]	9	14585,15499,19322,23024,25777,40803,40969,40982,41003
+[c:1]-[N:2]>>[c:1]-[N:2]=[N+:4]=[N-:3]	9	15147,38398,40075,47775,47884,47887,47889,47890,47892
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2]-[Cl:5].[C:3]#[N:4]	9	15273,16083,16376,17153,41041,41106,41113,41116,41176
+[C:1]=[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]=[C:2].[c:3](:[c:4])(:[c:5])-[I:6]	9	16580,25455,39532,46206,47351,48396,50331,51224,54938
+[c:1]:[c:2](-[C:3]-[Cl:4]):[c:5]>>[C:3]=[O:6].[c:1]:[c:2]:[c:5].[Cl:4]	9	16609,16618,16619,16657,16658,16659,16660,16661,16662
+[c:1]:1:[c:2](-[I:3]):[c:4]:[c:5]:[n:6]:[c:7]:1>>[c:1]:1:[c:2]:[c:4]:[c:5]:[n:6]:[c:7]:1.[I:3]-[I:8]	9	17386,17396,20709,20834,35884,35922,40495,40524,40533
+[c:1]:1:[c:2]:[n:3](-[S:4](=[O:5])(=[O:6])-[c:7]):[c:8]:[c:9]:1>>[c:1]:1:[c:2]:[n:3]:[c:8]:[c:9]:1.[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:10]	9	18097,27619,30621,31157,45488,45990,51803,53942,55698
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6](:[n:7]):[c:10]:1:[c:9]:[n:8]):[c:11]>>[c:3]:1(:[n:4]:[n:5]:[c:6](:[n:7]):[c:10]:1:[c:9]:[n:8])-[I:21].[c:1]:[c:2](:[c:11])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	9	18863,19740,22021,22022,22266,22267,27868,28460,29061
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:2>>[C:1]-[N:2]-[c:6]:1:[c:5](-[N:4]):[c:10]:[n:9]:[c:8]:[c:7]:1.[C:3](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19]	9	19144,23923,24972,30293,31031,31032,31057,31072,31077
+[n:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7](:[c:8]:[n:9]):[c:11]:1:[n:10]>>[n:1]:1:[n:2]:[c:3](:[c:7](:[c:8]:[n:9]):[c:11]:1:[n:10])-[I:12].[c:4](:[c:5])(:[c:6])-[B:14](-[O:13])-[O:15]	9	19933,21907,22023,22268,27869,27870,40633,40634,46503
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1>>[c:1]:1:[n:2]:[n:3](:[c:4]:[c:5]:1)-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	9	21428,21462,21463,24353,24355,24361,24366,24367,24368
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1>>[c:1]:[c:2]:1:[n:3](:[n:4]:[c:5]:[c:6]:1)-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	9	21440,21441,21446,21454,21471,21473,21484,21486,21490
+[C:1]=[C:2]-[C:3](-[O:4])=[C:5]-[C:6]>>[C:1]=[C:2]-[C:3](-[O:4]-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1)=[C:5]-[C:6]	9	23135,24769,52599,52600,52601,52602,52603,52604,54398
+[c:1]:[c:5](:[n+:4](:[c:3]:[c:2])-[O-:7]):[c:6]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2]):[c:6].[O:7]-[O:10]-[C:9](=[O:8])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15](-[Cl:16]):[c:17]:1	9	26891,30279,31217,36592,36617,36630,36636,36648,36718
+[c:1]-[C:2]-[N:3]=[N+:12]=[N-:11]>>[c:1]-[C:2]-[O:10].[N:3](=[N+:12]=[N-:11])-[P:14](-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1)(=[O:13])-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2	9	27787,36190,36346,38914,49911,50937,52034,52991,52995
+[c:1]:1:[n:2]:[n:3](-[c:4](:[c:5]):[c:6]):[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[n:3]:[c:7]:[c:8]:1.[c:4](:[c:5])(:[c:6])-[F:9]	9	29901,38650,38749,48084,48179,49100,51050,53552,56620
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1>>[c:1]-[C:2](-[C:6]=[C:5]-[N:8](-[C:7])-[C:9])=[O:10].[N:3]-[N:4]	9	32004,32005,32008,32010,32017,36163,42251,42253,42301
+[n:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1>>[n:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[C:8]-[O:7]-[C:6]-[C:13]-[Si:10](-[C:9])(-[C:11])-[C:12]	9	33956,33971,33972,34034,34060,34091,34096,34100,34102
+[S:1](=[O:2])(=[O:3])(-[c:4](:[c:5]):[c:6])-[Cl:7]>>[Cl:7].[c:4](:[c:5])(:[c:6])-[N:8].[S:1](=[O:2])=[O:3]	9	34773,34774,34775,34778,34780,34782,34783,34784,34785
+[O:1]=[C:2]=[N:3]-[c:4]>>[O:1]=[C:2](-[Cl:5])-[Cl:6].[N:3]-[c:4]	9	34944,34946,34947,34954,34957,34958,34961,34962,34964
+[N:1]-1-[C:2]-[C:3]-[c:4](:[c:5]):[c:7]-1:[c:6]>>[n:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[c:7]:1:[c:6]	9	38540,38703,39716,49920,49976,50175,50319,55705,55729
+[N:1]-[C:2]>>[N:1](-[C:2])(-[C:3]-[c:16]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[C:4]-[c:5]:2:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:2	9	52307,56292,56294,56295,56297,56298,56299,56302,56303
+[C:1](-[C:2]-[N:3](-[C:4](=[O:5])-[C:6])-[c:7])(-[O:8])=[O:9]>>[C:1](-[C:2]-[Br:10])(-[O:8])=[O:9].[N:3](-[C:4](=[O:5])-[C:6])-[c:7]	8	641,648,663,18132,18149,30657,30672,30681
+[c:1]-[C:2]-1(-[C:3]#[N:4])-[C:5]-[C:6]-1>>[C:5](-[C:6]-[Br:8])-[Br:7].[c:1]-[C:2]-[C:3]#[N:4]	8	730,740,747,755,763,767,769,771
+[c:1]:1:[c:2](:[c:3]):[n:4](-[C:5]-[C:6]):[c:7](:[c:8]:1):[c:9]>>[C:5](-[C:6])-[Br:10].[c:1]:1:[c:2](:[c:3]):[n:4]:[c:7](:[c:8]:1):[c:9]	8	739,814,26572,43644,43645,43653,45538,45539
+[c:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:4](-[C:5])-[Br:6].[c:1]-[N:2]-[C:3]	8	793,4109,4832,5200,5584,5749,10763,29816
+[c:1]:1:[n:2]:[c:3](-[n:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:2):[n:9]:[c:10]:[c:11]:1>>[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1.[c:1]:1:[n:2]:[c:3](:[n:9]:[c:10]:[c:11]:1)-[Cl:12]	8	1032,1037,37013,38678,39558,40590,41559,55009
+[C:1]-[C:2](-[C:3])(-[O:4])-[c:5](:[c:6]):[n:9]:[c:8]:[c:7]>>[c:5](:[c:6])(:[n:9]:[c:8]:[c:7])-[Br:10].[C:1]-[C:2](-[C:3])=[O:4]	8	1119,2226,10161,22512,26328,33941,36865,43827
+[C:1](=[O:2])(-[C:3])-[O:4]-[C:5]-[C:6]>>[C:1](=[O:2])(-[C:3])-[O:4].[C:5](-[C:6])-[I:7]	8	1135,2499,4044,6302,11463,17225,20768,30100
+[n:1]:[c:2]:[c:3](-[C:4]-1-[C:5]-[C:6]-1):[c:7]>>[n:1]:[c:2]:[c:3](:[c:7])-[Br:8].[C:4]-1(-[C:5]-[C:6]-1)-[B:10](-[O:9])-[O:11]	8	1157,10929,19007,25294,46363,46367,46368,46383
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5](-[N:6]-[C:7]):[n:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5](:[n:8]:1)-[Br:9].[N:6]-[C:7]	8	1203,6491,10220,22011,25884,27019,48507,51252
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]#[N:6]):[c:7]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[Br:8].[C-:5](#[N:6])~[Cu+:9]	8	1217,11311,35964,44762,47520,47527,47528,47532
+[C:1]#[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:8].[C:1]#[C:2]	8	1229,22965,24165,46031,50354,51477,51480,54669
+[O:1]=[C:2](-[c:3])-[O:4]>>[C:2](-[c:3])#[N:7].[O:1]=[C:6](-[O:4])-[C:5]	8	1521,27684,44118,44140,44141,44151,44155,44156
+[C:1](-[N:2]-[c:3](:[c:4]):[c:5])-[C:6](=[O:7])-[O:8]>>[c:3](:[c:4])(:[c:5])-[F:9].[C:1](-[N:2])-[C:6](=[O:7])-[O:8]	8	1528,18280,21625,30754,30755,30759,46814,46815
+[C:1](-[N:2]-[C:3](=[O:4])-[c:5])-[C:6](=[O:7])-[O:8]>>[C:1](-[N:2])-[C:6](=[O:7])-[O:8].[C:3](=[O:4])(-[c:5])-[Cl:9]	8	1542,17457,38976,41991,42000,44053,49615,50509
+[C:1]=[C:2]-[C:3]-[O:4]-[Si:5](-[C:6])(-[C:7])-[C:8]>>[Si:5](-[C:6])(-[C:7])(-[C:8])-[Cl:9].[C:1]=[C:2]-[C:3]-[O:4]	8	1543,12358,16454,17807,24496,24510,24554,24649
+[N:1]-[C:2](=[O:3])-[C:4]-[O:5]>>[N:1]-[C:2](=[O:3])-[C:4]-[O:5]-[C:7](-[C:6])=[O:8]	8	1625,4123,7779,26200,27844,50756,54692,57116
+[c:1](-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1):[c:9]:[n:10]>>[c:1](-[N:2]):[c:9]:[n:10].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:11]	8	1628,18661,22736,33934,38459,43542,45394,48717
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[O:1]-[C:2](=[O:3])-[Cl:8].[N:4]-[c:5]:[c:7]:[n:6]	8	1806,30789,42535,42742,48707,48712,48715,50136
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])-[Br:7].[c:1]-[O:2]	8	2171,2172,34359,36730,44667,48411,49611,54573
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[C:8])-[Cl:9]	8	2300,2451,6778,6869,7458,31262,48486,50742
+[C:1]-[n:2]:1:[c:3](-[C:4]):[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:3](-[C:4])(=[O:10])-[O:11].[C:1]-[N:2]-[c:7](:[c:6](-[N:5]):[c:9]):[c:8]	8	2484,2488,7521,9362,15423,15428,17223,44150
+[n:1]:[c:2](-[C:3](=[O:5])-[Cl:6]):[c:4]>>[Cl:6]-[C:9](-[C:7](-[Cl:8])=[O:12])=[O:10].[n:1]:[c:2](-[C:3](=[O:5])-[O:11]):[c:4]	8	2584,2635,2645,2648,2684,2724,2753,2758
+[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[C:6]>>[n:1]:[c:3](:[c:2])-[C:4](-[O:5])-[C:6]	8	2809,24471,27426,34065,48963,50350,52978,53033
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:5].[O:3]-[N:7]=[O:6]	8	2836,28720,37973,40067,42412,47227,47230,47246
+[C:1]-[C:2](-[C:3])(-[C:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:8].[c:5](:[c:6]):[c:7]	8	2869,7969,7971,7972,8891,12060,17937,25880
+[c:1]:[c:2](-[C:3](=[N:4])-[N:5]-[O:6]):[n:7]>>[c:1]:[c:2](-[C:3]#[N:4]):[n:7].[N:5]-[O:6]	8	3082,11391,32516,34606,36234,38714,47022,47039
+[C:1]-[N:2](-[C:3])-[c:4]:1:[c:5]:[c:6]:[n:7]:[n:8]:1>>[c:4]:1(:[c:5]:[c:6]:[n:7]:[n:8]:1)-[Cl:9].[C:1]-[N:2]-[C:3]	8	3096,5302,7938,14689,19466,32610,37251,41687
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[n:6]):[o:7]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[n:6]):[o:7])-[Cl:8]	8	3150,4524,13750,13751,15562,15683,15747,32692
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]#[C:6]-[Si:9](-[C:8])(-[C:10])-[C:11]):[c:7]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[Br:12].[C:5]#[C:6]-[Si:9](-[C:8])(-[C:10])-[C:11]	8	3315,10957,12870,23251,24477,26084,33674,33692
+[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1-[C:7]-[c:8]>>[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1.[C:7](-[c:8])-[Cl:9]	8	3368,4721,11320,25643,48923,49943,50752,51319
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[C:1]-[C:2](-[N:3])=[S:7].[C:4](-[c:5])(-[C:6]-[Br:9])=[O:8]	8	3422,5194,7500,31949,39712,41295,41995,51957
+[C:1]-[C:2](-[C:3]=[C:4]-[c:5])=[O:6]>>[C:1]-[C:2](-[C:3])=[O:6].[C:4](-[c:5])=[O:7]	8	3672,17213,26295,26312,26313,37187,51971,54552
+[C:1]-[S:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:5].[C:1]-[S:2]	8	3901,4127,4129,5161,5163,33477,36487,44297
+[O:1]=[C:2]-[N:5](-[C:3]=[O:4])-[C:6]-[C:7]>>[C:6](-[C:7])-[Br:8].[O:1]=[C:2]-[N:5]-[C:3]=[O:4]	8	4102,4117,51099,51416,51982,53150,54258,55786
+[C:1]-[C:2]-[O:3]-[C:4]>>[O:3]-[C:4].[C:1]-[C:2]-[O:9]-[S:6](-[C:5])(=[O:7])=[O:8]	8	4247,7997,19178,22189,24845,32470,45858,45871
+[c:1]:1:[c:2](-[C:3]=[O:4]):[s:5]:[c:6]:[c:7]:1>>[c:1]:1:[c:2]:[s:5]:[c:6]:[c:7]:1.[C:3](=[O:4])-[N:9](-[C:8])-[C:10]	8	4268,4299,14497,25126,29878,32069,32210,32224
+[C:1]-[C:2](=[O:3])-[C:4]-[Cl:5]>>[C:1]-[C:2](=[O:3])-[C:4].[Cl:5]-[S:7](=[O:6])(=[O:8])-[Cl:9]	8	4644,12530,26824,43343,43344,44216,44218,44220
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:9]:[c:11]:[n:10]>>[N:8]-[c:9]:[c:11]:[n:10].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:19]-[C:17](-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15])=[O:18]	8	4737,20950,21038,21091,21093,21094,21099,21306
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[Cl:8].[c:1]-[N:2]	8	4793,4794,6116,6611,38523,40094,50396,54870
+[c:1]:[c:2](-[S:3]-[C:4]):[c:5]>>[S:3]-[C:4].[c:1]:[c:2](:[c:5])-[Cl:6]	8	4886,5332,12863,21839,26864,27452,36040,52281
+[c:1](:[c:2]):[n:9]:1:[c:4](:[c:3]):[n:5]:[c:6]:[c:7]:1-[Br:8]>>[c:1](:[c:2]):[n:9]:1:[c:4](:[c:3]):[n:5]:[c:6]:[c:7]:1.[Br:8]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15]	8	4926,8305,8376,8626,8642,8689,8752,8753
+[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](-[N:7]-[C:8]):[n:9]:1):[n:5]>>[N:7]-[C:8].[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](:[n:9]:1)-[Cl:10]):[n:5]	8	4960,11031,12169,15447,22649,32329,46107,53650
+[c:1]:[c:2]:1:[c:3](:[c:4](-[C:5](=[O:6])-[O:7]):[c:8]:[n:9]:[c:10]:1:[c:11])-[O:12]>>[C:3](-[C:4](-[C:5](=[O:6])-[O:7])=[C:8]-[O:16]-[C:15]-[C:14])(=[O:12])-[O:17]-[C:18]-[C:13].[c:1]:[c:2]:[c:10](-[N:9]):[c:11]	8	5393,5401,5402,5406,5407,5408,5411,5414
+[c:1]-[C:2]-[C:3](=[O:4])-[O:5]>>[c:1]-[C:2](-[C:3](=[O:4])-[O:5])-[C:9](-[O:8]-[C:7]-[C:6])=[O:10]	8	5418,5898,10938,43022,43023,43024,43348,56072
+[c:1]:[c:2]:1:[n:3]:[c:4](-[N:5]-[C:11](-[O:10])=[O:12]):[n:6]:[n:7]:1:[c:8]:[c:9]>>[c:1]:[c:2](-[N:3]-[C:4](-[N:5]-[C:11](-[O:10])=[O:12])=[S:13]):[n:7]:[c:8]:[c:9].[N:6]-[O:14]	8	5441,5442,11325,24131,30823,30824,30825,47097
+[C:1](-[C:2])(=[O:3])-[N:5](-[O:4])-[C:6]>>[C:1](-[C:2])(=[O:3])-[O:9]-[C:8]-[C:7].[O:4]-[N:5]-[C:6]	8	5469,10209,21883,21886,22632,26183,41516,41541
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[N:9]):[c:10]:1-[C:11](=[O:12])-[O:13]>>[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8]#[N:9].[C:1]-[C:2](-[C:10]-[C:11](=[O:12])-[O:13])=[O:14]	8	5480,5481,5482,5483,5485,5486,5489,5521
+[C:1](-[c:2])(-[C:3]-[C:4](=[O:5])-[O:6])=[O:7]>>[C:3](-[C:4](=[O:5])-[O:6])-[C:9](=[O:8])-[O:10].[C:1](-[c:2])(=[O:7])-[O:11]	8	5533,5534,5535,5536,5537,5538,5539,5542
+[c:1]:[c:2](-[O:3]-[C:4]):[c:5]:[n:6]>>[O:3]-[C:4].[c:1]:[c:2](:[c:5]:[n:6])-[O:7]	8	5566,10103,19172,20535,22619,34758,34760,39990
+[n:1]:[c:2](-[N:3]):[n:4]>>[n:1]:[c:2](-[N:3]-[C:8](-[O:7]-[C:6]-[C:5])=[O:9]):[n:4]	8	5662,5663,11326,24090,54646,57342,57343,57344
+[c:1]:[c:2](-[C:3]-[O:5]-[C:7](-[C:6])=[O:8]):[n+:4]>>[c:1]:[c:2](-[C:3]):[n+:4].[O:5](-[C:7](-[C:6])=[O:8])-[C:10](-[C:9])=[O:11]	8	5809,6044,16843,16887,16888,16917,16931,16949
+[c:1]:1:[n:2]:[c:3]:[c:4](-[Br:5]):[n:6]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:6]:1.[Br:5]-[N:7]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	8	6447,8357,8442,8453,8489,8681,8717,8751
+[C:1](=[S:2])=[N:3]-[C:4]>>[N:3]-[C:4].[C:1](=[S:2])=[S:5]	8	6534,7001,9975,13233,14120,47441,47445,47446
+[c:1]:1:[c:2]:[c:3](-[Br:4]):[c:5]:[n:6]:1>>[Br:4]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1]:1:[c:2]:[c:3]:[c:5]:[n:6]:1	8	6657,8209,8211,8215,8433,8437,8677,8746
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]-[C:6]#[N:7]>>[C:1]-[N:2]-[C:3].[C:4]=[C:5]-[C:6]#[N:7]	8	7134,8959,13837,13863,15181,24664,41246,41251
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[C:6])-[c:7]>>[N:3](-[C:4](=[O:5])-[C:6])-[c:7].[C:1]-[C:2]-[Br:8]	8	7154,10767,15412,19022,26677,26678,29815,50001
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[C:3](=[C:4]-[C:5])(-[C:6])-[B:10](-[O:9])-[O:11]	8	7429,7432,27659,28737,28738,44044,46294,46385
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:9]-[C:8]=[C:7]>>[N:5](-[C:6])-[C:9]-[C:8]=[C:7].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:10]	8	7528,11245,13614,13615,45023,45336,45365,45431
+[C:1]-[S:2](=[O:3])(=[O:4])-[C:5]>>[C:1]-[S:2]-[C:5].[O:3]=[S:7](-[O:6])-[O:8]-[O:4]	8	7606,10317,16007,17493,38387,43079,47398,47404
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[Cl:4]	8	7680,21772,32455,45948,46150,51750,54546,56922
+[C:1]-[N:2]-[C:3]-1=[C:4](-[N:5])-[C:6](=[O:7])-[C:8]-1=[O:9]>>[C:1]-[N:2].[C:3]-1(=[C:4](-[N:5])-[C:6](=[O:7])-[C:8]-1=[O:9])-[O:12]-[C:11]-[C:10]	8	7730,7731,7733,16447,17771,17841,29723,55295
+[O:1]=[C:2](-[O:3])-[C:4](=[O:5])-[N:6]-[c:7]>>[N:6]-[c:7].[O:1]=[C:2](-[O:3])-[C:4](=[O:5])-[Cl:8]	8	8010,23788,23956,37855,38853,42387,44273,44274
+[c:1]:1(:[n:2]:[c:3](:[c:4]):[c:5]:[n:6]:1)-[Br:7]>>[c:1]:1:[n:2]:[c:3](:[c:4]):[c:5]:[n:6]:1.[Br:7]-[N:12]-1-[C:10](-[C:9]-[C:8]-[C:14]-1=[O:13])=[O:11]	8	8082,8091,8092,8093,8094,8095,8191,8517
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]-[C:6]-[C:7](=[O:8])-[O:9]>>[C:3]-1(=[O:4])-[C:5]-[C:6]-[C:7](=[O:8])-[O:9]-1.[C:1]-[O:2]	8	8786,8787,8789,8792,8793,8796,8800,8801
+[c:1]-[C:2]-1=[C:3](-[O:4])-[C:5]-[N:6]-[C:7]-1=[O:8]>>[c:1]-[C:2]-[C:7](-[N:6]-[C:5]-[C:3](=[O:4])-[O:10]-[C:9])=[O:8]	8	8864,10035,10036,11277,12314,37683,43812,50421
+[n:1]:[c:2]:[c:3](:[c:4]:[n:5])-[N:6](-[C:7])-[C:8](=[O:9])-[C:10]>>[n:1]:[c:2]:[c:3](:[c:4]:[n:5])-[N:6]-[C:8](=[O:9])-[C:10].[C:7]-[I:11]	8	9060,10558,12203,12206,31462,31463,31486,31831
+[N:1]-[c:2](:[n:3]):[s:4]>>[N:1](-[c:2](:[n:3]):[s:4])-[C:6]=[O:5]	8	9094,26827,27283,41465,41466,41467,41468,41469
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:4]=[C:3]	8	9377,11371,14265,40287,50639,51062,51070,55389
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]-[N:2].[C:3]=[O:5].[C:4]-[O:6]	8	9472,9542,16595,16612,16626,16640,16648,16653
+[c:1]:1:[n:2]:[n:3]:[c:4](:[c:5]:1):[n:6]>>[c:1]:1:[n:2]:[n:3](:[c:4](:[c:5]:1):[n:6])-[C:10]-2-[C:9]-[C:8]-[C:7]-[C:12]-[O:11]-2	8	9582,13554,15876,35986,45942,53306,54853,55929
+[O:1]=[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[O:1]=[C:2]-[O:6]	8	9720,14874,14978,27095,30000,46891,46897,46909
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2]#[N:3].[O:4]-[S:6](=[O:5])(=[O:7])-[O:8]	8	9894,10506,45791,45805,45806,45809,45816,45818
+[N:1](-[C:2])-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[c:8]):[n:10]:1:[n:9]>>[N:1]-[C:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[c:8]):[n:10]:1:[n:9])-[Cl:11]	8	10218,11036,15450,19065,21409,29937,34446,36422
+[O:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[n:7]):[c:8]>>[C:4](=[O:5])(-[c:6](:[n:7]):[c:8])-[O:9].[O:1]-[N:2]-[C:3]	8	10272,30292,36228,41517,41524,41528,41534,52462
+[C:1](-[N:2]-[C:3](=[O:4])-[c:5])-[C:6](=[O:7])-[N:8]>>[C:3](=[O:4])(-[c:5])-[O:9].[C:1](-[N:2])-[C:6](=[O:7])-[N:8]	8	10405,12375,14204,14205,26994,37641,41312,46809
+[O:1]=[C:2](-[N:3]-[C:4]-[C:5](=[O:6])-[O:7])-[c:8](:[n:9]):[c:10]>>[N:3]-[C:4]-[C:5](=[O:6])-[O:7].[O:1]=[C:2](-[c:8](:[n:9]):[c:10])-[O:11]	8	10449,10928,18287,26398,30760,36486,44069,44073
+[c:1]:[c:2](-[c:3](:[c:4]):[c:7](:[n:5]):[c:6]):[c:8]>>[c:3](:[c:4])(:[c:7](:[n:5]):[c:6])-[Br:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	8	10644,46449,46556,46714,46716,47816,49340,50197
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:1)-[Br:9].[C:1]-[O:2]	8	10825,11965,12004,12005,12006,32992,33087,33184
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:3](=[O:4])(-[O:5])-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10](-[N+:8](=[O:7])-[O-:9]):[c:16]:[c:15]:1.[C:1]-[N:2]-[C:6]	8	10920,14821,15114,15129,15737,27051,37467,51579
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:7](-[O:6])-[C:8]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:9].[O:6]-[N:7]-[C:8]	8	11200,12512,22940,38660,41495,41502,41507,41529
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[I:6].[C:3]#[N:4]	8	11290,17314,41017,41088,41091,41120,41155,41180
+[c:1](:[c:2]-[C:3]#[N:4]):[n:5]>>[c:1](:[c:2]-[C:3](-[N:4])=[O:6]):[n:5]	8	11343,27831,34013,35863,39828,45699,49981,55628
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1>>[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1.[C:4]=[O:10].[C:1]-[N:2]-[C:3]	8	11588,12674,15530,16631,16633,16634,16672,16722
+[c:1]:1:[n:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:1>>[c:1]:1:[n:2]:[n:3]:[c:4](:[c:8]:1)-[I:18].[c:5](:[c:6])(:[c:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	8	11695,12908,13254,27885,28361,29014,29237,29238
+[n:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1>>[n:1]:[c:2]:1:[n:3](:[c:4]:[c:5]:[c:6]:1)-[S:8](=[O:7])(=[O:9])-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2	8	12101,18916,40281,46183,53037,53042,57013,57014
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:8]:[n:7]>>[C:1]-[C:2](=[O:3])-[O:9].[N:4]-[c:5](:[n:6]):[c:8]:[n:7]	8	12132,29368,29369,29693,39713,39727,46053,53734
+[N:1]-1-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]:[c:7]-1>>[N:1]-[c:7]:[c:6]-[N:4]-[C:5].[C:2](=[O:3])(-[n:8]:1:[c:14]:[n:15]:[c:16]:[c:17]:1)-[n:9]:2:[c:10]:[c:11]:[n:12]:[c:13]:2	8	12835,13550,13560,22699,38769,38881,41560,51564
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](=[O:6])-[N:7](-[C:8])-[C:9]):[c:10]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](=[O:6])-[O:11]):[c:10]:1.[N:7](-[C:8])-[C:9]	8	12883,13026,13794,15767,15987,16012,16206,38396
+[N:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9].[N:1]-[N:2]	8	13006,18435,36298,39887,42182,42314,42321,42322
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]-[N:2]-[C:4].[C:3]-[I:5]	8	13832,13912,14974,31480,31704,31776,31790,31835
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[N:7]-[c:8]):[n:9]:1-[C:10]>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N:9]-[C:10].[C:6](=[N:7]-[c:8])=[S:11]	8	14028,17370,17375,20513,23993,27130,37677,37761
+[c:1]-[C:2](-[C:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[N:9](-[O:8]-[C:7])-[C:10].[C:3]-[Mg:6]-[Br:5]	8	14193,25417,33523,35930,35950,38961,47559,47564
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5](-[S:6]):[c:7]:1:[c:8]>>[c:1]:[c:2](-[N:3]):[c:7](-[C:5]-[S:6]):[c:8].[N:4](=[O:9])-[O:10]	8	14242,14256,35048,45970,46161,47228,47235,47247
+[c:1](:[n:2]):[c:4](:[c:3])-[N+:5](=[O:6])-[O-:7]>>[c:1](:[n:2]):[c:4]:[c:3].[N+:5](-[O:6])(-[O-:7])=[O:8]	8	14522,33345,42798,47613,47625,47742,47762,47763
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6]:[c:8]:[n:7])-[C:9]>>[C:1]-[N:2]-[C:9].[S:3](=[O:4])(=[O:5])(-[c:6]:[c:8]:[n:7])-[Cl:10]	8	14558,26646,32597,32598,38118,45508,46131,46132
+[c:1]-[C:2]-[C:3](-[C:4])-[C:5]>>[c:1]-[C:2]=[C:3](-[C:4])-[C:5]	8	14632,15342,15398,25586,26180,30748,43821,43822
+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8]:[n:9]:1>>[c:4](:[c:5]:[n:6])(:[c:7])-[Br:10].[n:1]:1:[c:2]:[c:3](:[c:8]:[n:9]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19]	8	15946,28490,28491,28514,28523,28528,28529,28943
+[c:1]:[c:2](-[Cl:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:5].[Cl:3]-[Cu:6]	8	17115,37729,40021,40303,42621,46000,47540,47541
+[c:1](:[n:2]):[c:4](:[c:3])-[C:5]=[O:6]>>[c:1](:[n:2]):[c:4]:[c:3].[C:5](=[O:6])-[N:8](-[C:7])-[C:9]	8	17388,17395,20808,20856,24120,25175,32055,32115
+[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](:[n:7]:1)-[Cl:8]):[n:5]>>[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](:[n:7]:1)-[O:13]):[n:5].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	8	17410,34460,35232,35340,35346,35356,35439,35477
+[c:1]-[C:2](-[C:3])(-[C:4])-[O:5]>>[c:1]-[C:2](-[C:3])=[O:5].[C:4]-[Mg:7]-[Br:6]	8	17618,27592,33486,36198,42722,47560,47576,47581
+[c:1]-[N:2]=[C:3]=[S:4]>>[c:1]-[N:2].[C:3](=[S:4])(-[n:7]:1:[c:6]:[c:5]:[n:14]:[c:13]:1)-[n:8]:2:[c:9]:[c:10]:[n:11]:[c:12]:2	8	18498,29541,42657,42737,50534,51779,54914,55211
+[c:1]:[c:2](-[C:3](-[O:4])(-[C:5])-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Mg:9]-[Br:8].[C:3](=[O:4])(-[C:5])-[C:6]	8	18884,22532,27456,33342,43832,45647,45648,56498
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[o:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[o:7])-[O:8].[C:1]-[N:2]	8	19339,41785,41896,41897,41899,41901,41924,41925
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[o:7]:1>>[C:1]-[C:2](-[N:3]-[N:4]-[C:5](-[C:6])=[O:8])=[O:7]	8	20441,20442,22545,22558,23765,39499,52976,56157
+[C:1]-[C:2](-[N:3]-[N:4]-[C:5](-[C:6])=[O:8])=[O:7]>>[C:5](-[C:6])(=[O:8])-[O:9].[C:1]-[C:2](-[N:3]-[N:4])=[O:7]	8	20445,20447,22563,23763,26641,39500,42339,46137
+[c:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[c:1]-[O:2].[C:3](=[O:4])(-[c:5])-[Cl:6]	8	21407,28894,46292,49318,49551,52658,55051,56043
+[O:1]-[C:2](=[O:3])-[C:4]-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[O:1]-[C:2](=[O:3])-[C:4]-[O:5].[C:6](-[C:7])(-[C:8])(-[C:9])-[O:13]-[C:11](-[C:10])=[O:12]	8	21555,21556,21557,21558,21560,21561,21562,21563
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:4](-[C:3])(-[C:5])-[C:6]	8	21567,21599,24370,24381,24382,24384,24385,24387
+[n:1]:[c:2]:[c:3](-[C:4]#[C:5]-[Si:8](-[C:7])(-[C:9])-[C:10]):[c:6]>>[n:1]:[c:2]:[c:3](:[c:6])-[I:11].[C:4]#[C:5]-[Si:8](-[C:7])(-[C:9])-[C:10]	8	22967,33672,33675,33676,33686,33695,33700,33720
+[c:1]:1:[c:2](-[C:3]-[O:7]):[c:4]:[n:5]:[o:6]:1>>[c:1]:1:[c:2](-[C:3](-[O:7])=[O:8]):[c:4]:[n:5]:[o:6]:1	8	24383,27579,36523,36769,38170,48397,50515,57155
+[C:1](=[O:2])=[N:3]-[c:4]>>[N:3]-[c:4].[C:1](=[O:2])(-[O:9]-[C:6](-[Cl:5])(-[Cl:7])-[Cl:8])-[Cl:10]	8	26095,29394,29395,34868,34869,34871,34873,34874
+[n:1]:[c:2]:[c:3]-[C:4]-[Cl:5]>>[n:1]:[c:2]:[c:3]-[C:4]-[O:6].[Cl:5]-[C:8]-[Cl:7]	8	26719,27584,35068,35077,35092,35093,35097,35127
+[c:1]:[c:2](-[C:3]=[C:4]-[C:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[I:7].[C:3]=[C:4]-[C:5]	8	26998,34425,36764,36765,39295,41249,50661,53102
+[c:1]:1:[c:2]:[n:3]:[c:4](:[n:5]:[c:6]:1:[c:7])-[Cl:8]>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:5]:[c:6]:1:[c:7])-[O:13].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	8	27656,35189,35193,35253,35369,35395,35469,35483
+[c:1]-[N:2]-[C:3](-[C:4]=[N:7]-[O:6])=[O:5]>>[c:1]-[N:2].[C:3](-[C:4](-[O:5])-[O:8])(-[Cl:9])(-[Cl:10])-[Cl:11].[O:6]-[N:7]	8	27773,34842,34843,34844,34845,34846,34847,34848
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[B:11]-1-[O:10]-[C:8](-[C:7])(-[C:9])-[C:13](-[O:12]-1)(-[C:14])-[C:15].[c:3](:[c:4])(:[c:5])-[O:19]-[S:17](=[O:16])(=[O:18])-[C:20](-[F:21])(-[F:22])-[F:23]	8	28387,28423,28428,28429,29075,29162,29178,29179
+[O:1]-[B:2]-[O:3]>>[O:1]-1-[B:2]-[O:3]-[C:7](-[C:5]-1(-[C:4])-[C:6])(-[C:8])-[C:9]	8	28447,28463,29015,29034,29039,29151,29155,29157
+[C:1]-[C:2](-[c:3])=[C:4](-[c:5])-[c:6]>>[C:1]-[C:2](-[c:3])=[O:8].[C:4](-[c:5])(-[c:6])=[O:7]	8	29779,29781,29785,32404,48580,53577,53848,55039
+[C:1]-1-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[c:8]-1:[c:7]>>[O:3]-[C:10]-[C:9].[c:1]:1:[c:2]:[n:4]:[c:5](:[c:6]):[c:8]:1:[c:7]	8	30311,30428,30443,30447,30468,30479,30492,30501
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:1.[C:1]-[C:2](=[O:3])-[Cl:9]	8	31158,34603,34604,34825,34826,34828,34829,34832
+[O:1]=[C:2]-[c:3]>>[O:1](-[C:2](-[c:3])-[O:5]-[C:4])-[C:6]	8	33234,38748,43215,43216,53212,53834,55050,56017
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[O:6]):[n:7]:[n:8]:[c:9]:1-[c:10]>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5](=[O:6])-[O:12])-[C:9](-[c:10])=[O:11].[N:7]-[N:8]	8	33472,42150,42162,42193,42197,42238,42260,42264
+[c:1]:[c:2](-[S:3](-[C:4])=[O:5]):[n:6]>>[c:1]:[c:2](-[S:3]-[C:4]):[n:6].[O:5]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1	8	33632,34442,36533,36541,36573,36633,36649,36664
+[n:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1:[n:7]>>[n:1]:[c:2]:1:[n:3](:[c:4]:[c:5]:[c:6]:1:[n:7])-[C:15]-[O:14]-[C:13]-[C:12]-[Si:9](-[C:8])(-[C:10])-[C:11]	8	33977,34005,34030,34031,34032,34045,34046,34048
+[c:1]:[c:2](-[I:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[Si:6](-[C:5])(-[C:7])-[C:8].[I:3]-[Cl:9]	8	34211,34212,34219,34220,34225,34226,34231,34234
+[N:1](-[O:2])-[C:3]-[c:4]>>[N:1](-[O:2])=[C:3]-[c:4]	8	34338,34548,39352,41420,54106,54107,55139,55319
+[O:1]-[P:2](=[O:3])(-[C:4]-[c:5])-[O:6]>>[C:4](-[c:5])-[Cl:8].[O:1]-[P:2](-[O:3]-[C:7]-[C:9])-[O:6]	8	34421,38423,38492,39199,43455,43457,43461,43464
+[c:1]-[N:2](-[C:3]=[O:4])-[C:7](-[N:6]-[c:5])=[O:8]>>[C:7](=[O:8])(-[O:13]-[C:10](-[Cl:9])(-[Cl:11])-[Cl:12])-[O:14]-[C:15](-[Cl:16])(-[Cl:17])-[Cl:18].[c:1]-[N:2]-[C:3]=[O:4].[c:5]-[N:6]	8	34886,34887,34901,34902,34903,34904,34915,34917
+[O:1]=[S:2](=[O:3])(-[O:4]-[c:5](:[c:6]):[n:7])-[C:8](-[F:9])(-[F:10])-[F:11]>>[O:1]=[S:2](=[O:3])(-[C:8](-[F:9])(-[F:10])-[F:11])-[O:15]-[S:13](=[O:12])(=[O:14])-[C:16](-[F:17])(-[F:18])-[F:19].[O:4]-[c:5](:[c:6]):[n:7]	8	38230,38234,38239,38240,38243,38244,38245,38253
+[s:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[N:6]-[c:7]):[c:8]>>[N:6]-[c:7].[s:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[Cl:9]):[c:8]	8	42584,45511,45512,45514,45515,45516,46242,46243
+[C:1]-[C:2]-[Br:3]>>[Br:3].[C:1]-[C:2]-[O:4]	7	5,7,44,55,108,117,118
+[c:1]:[c:2]:1:[n:3]:[c:4](-[Br:5]):[n:6]:[c:7]:1>>[Br:5]-[Br:8].[c:1]:[c:2]:1:[n:3]:[c:4]:[n:6]:[c:7]:1	7	126,140,286,301,410,448,449
+[c:1]:1:[n:2]:[c:3]:[c:4](-[Br:5]):[s:6]:1>>[Br:5]-[Br:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[s:6]:1	7	136,201,221,265,281,311,393
+[c:1]:[c:2](-[Br:3]):[c:4]:[c:5]:[n:6]>>[Br:3]-[Br:7].[c:1]:[c:2]:[c:4]:[c:5]:[n:6]	7	170,171,231,300,303,338,351
+[c:1](:[n:2]:[c:3](:[c:4])-[Br:6]):[c:5]>>[Br:6]-[Br:7].[c:1](:[n:2]:[c:3]:[c:4]):[c:5]	7	218,225,242,363,368,369,462
+[c:1]:1:[c:2]:[s:3]:[c:4](-[Br:5]):[c:6]:1>>[Br:5]-[Br:7].[c:1]:1:[c:2]:[s:3]:[c:4]:[c:6]:1	7	240,247,329,346,371,420,436
+[C:1](-[C:2])(-[C:3]=[N:4])-[Br:5]>>[Br:5]-[Br:6].[C:1](-[C:2])-[C:3]=[N:4]	7	299,374,375,412,413,443,444
+[C:1]=[N:2]-[O:3]-[C:4]-[C:5]>>[C:4](-[C:5])-[Br:6].[C:1]=[N:2]-[O:3]	7	742,765,2104,4825,5176,26566,43485
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[c:2](:[n:6]:[c:7]:[c:8]:1)-[Br:9].[c:3](:[c:4])(:[c:5])-[B:11](-[O:10])-[O:12]	7	1033,11188,12632,21833,21834,31094,46244
+[c:1]:1:[c:2]:[n:3](:[c:4]:[n:5]:1)-[C:7]-[O:6]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1.[O:6]-[C:7]-[Cl:8]	7	1036,18842,19794,33897,33898,33909,33911
+[c:1]:[c:2](-[c:3]:1:[c:4]:[s:5]:[c:6]:[c:7]:1):[c:8]>>[c:3]:1(:[c:4]:[s:5]:[c:6]:[c:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	7	1043,2903,36525,44616,45709,45713,46447
+[C:1](=[O:2])-[O:3]-[C:5](-[C:4])(-[C:6])-[C:7]>>[C:1](=[O:2])-[O:3].[C:4]-[C:5](-[C:6])(-[C:7])-[O:16]-[C:14](-[O:13]-[C:11](-[O:10]-[C:18](-[C:8])(-[C:9])-[C:17])=[O:12])=[O:15]	7	1072,6575,20963,21043,21073,21202,21294
+[c:1](:[n:2]):[c:4](:[c:3])-[C:5](=[C:6]-[C:7])-[C:8]>>[c:1](:[n:2]):[c:4](:[c:3])-[Br:11].[C:5](=[C:6]-[C:7])(-[C:8])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[C:9])(-[C:10])-[O:17]-1	7	1156,28286,28292,28295,28923,28932,28933
+[c:1]:[c:2](-[C:3](=[O:4])-[Cl:6]):[n:5]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:10]):[n:5].[Cl:6]-[S:8](=[O:7])-[Cl:9]	7	1506,35635,35711,35728,35791,35793,35837
+[c:1]:[c:2](:[c:3])-[Br:4]>>[c:1]:[c:2](:[c:3])-[N:5].[Br:4]-[Cu:6]	7	1510,1529,5002,27770,40145,47538,47539
+[N:1]-[C:2](=[O:3])-[c:4]>>[N:1]#[C:2]-[c:4].[O:3]	7	1518,3808,19941,42510,42965,42997,43000
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[O:6]>>[C:1]-[C:2](=[O:3])-[Cl:7].[N:4](-[C:5])-[O:6]	7	1615,1707,2289,6236,34407,41518,43964
+[C:1](-[C:2]=[C:3]-[c:4])(=[O:5])-[O:6]>>[C:1](-[C:2]-[C:8](=[O:7])-[O:9])(=[O:5])-[O:6].[C:3](-[c:4])=[O:10]	7	1759,1760,1761,1767,1768,1771,1774
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[Cl:6]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:10].[Cl:6]-[S:8](=[O:7])-[Cl:9]	7	1926,35547,35574,35600,35607,35664,35681
+[N:1]-[C:6](-[N:3](-[C:2])-[C:4]-[c:5])=[O:7]>>[C:4](-[c:5])-[Br:8].[N:1]-[C:6](-[N:3]-[C:2])=[O:7]	7	2152,6525,30840,30842,30843,48353,52868
+[c:1]-[O:2]-[C:3]-[C:4](-[C:5])=[O:6]>>[C:3](-[C:4](-[C:5])=[O:6])-[Cl:7].[c:1]-[O:2]	7	2233,2236,2244,2245,2248,2249,2250
+[O:1]=[C:2]-1-[C:3]-[C:4](-[C:5])=[N:6]-[c:7]:2:[c:8]:[c:9]:[n:10]:[n:11]-1:2>>[O:1]=[C:2](-[C:3]-[C:4](-[C:5])=[O:15])-[O:14]-[C:13]-[C:12].[N:6]-[c:7]:1:[c:8]:[c:9]:[n:10]:[n:11]:1	7	2263,5491,5495,5514,9302,22106,42779
+[C:1](-[N:2]-[N:3]-[C:4](-[C:5])=[O:7])=[O:6]>>[C:4](-[C:5])(=[O:7])-[Cl:8].[C:1](-[N:2]-[N:3])=[O:6]	7	2362,2363,2424,2436,7517,17638,43963
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[s:7]:1>>[C:1]-[C:2](=[O:8])-[O:9].[N:3]-[N:4]-[C:5](-[N:6])=[S:7]	7	2813,2866,3891,4315,5069,36429,42349
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:8]:[c:7](:[n:5]:1-[C:6])-[Cl:9]>>[c:1]:[c:4]-1:[c:3](:[c:2])-[N:8]-[C:7](-[N:5]-1-[C:6])=[O:14].[Cl:9]-[P:11](=[O:10])(-[Cl:12])-[Cl:13]	7	2914,3526,4488,27007,29740,30001,35204
+[c:1]-[N:2]-[C:4](-[C:3])=[O:5]>>[c:1]-[N+:2](=[O:6])-[O-:7].[C:3]-[C:4](=[O:5])-[O:8]	7	2941,33496,50882,50883,51529,51686,55884
+[C:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[C:1]-[C:2]-[Br:9].[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	7	2963,24806,24913,26570,27437,30967,43133
+[c:1]:[c:2](-[Si:3](-[C:4])(-[C:5])-[C:6]):[c:7]>>[c:1]:[c:2]:[c:7].[Si:3](-[C:4])(-[C:5])(-[C:6])-[Cl:8]	7	3026,27503,29517,34117,34120,34123,34126
+[C:1](-[c:2](:[c:3]):[c:4])-[N:6](-[C:5])-[C:7]>>[C:1]=[O:8].[C:5]-[N:6]-[C:7].[c:2](:[c:3]):[c:4]	7	3101,3102,7229,16588,16627,16628,16630
+[C:1]-[C:2](=[C:3](-[C:4]-[Br:5])-[N:6])-[C:7]>>[Br:5]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[C:1]-[C:2](=[C:3](-[C:4])-[N:6])-[C:7]	7	3167,3283,6695,8069,8310,8501,8736
+[c:1]-[C:2](-[N:3]-[N:4])=[O:5]>>[c:1]-[C:2](=[O:5])-[O:8]-[C:7]-[C:6].[N:3]-[N:4]	7	3243,10085,12094,38167,42157,42212,42258
+[n:1]:[c:9]:1:[c:3](:[n:2]):[c:4](-[N:5]):[n:6]:[c:7]:[n:8]:1>>[n:1]:[c:9]:1:[c:3](:[n:2]):[c:4](:[n:6]:[c:7]:[n:8]:1)-[Cl:10].[N:5]	7	3471,3473,12029,24821,24830,40978,40990
+[c:1]-[C:2]=[C:3](-[C:4])-[C:5](=[O:6])-[O:7]>>[C:3](-[C:4])(-[C:5](=[O:6])-[O:7])-[P:11](-[O:10]-[C:9]-[C:8])(=[O:12])-[O:13]-[C:14]-[C:15].[c:1]-[C:2]=[O:16]	7	3478,3479,3480,3481,6015,6016,21549
+[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])-[P:10](-[O:9]-[C:8]-[C:7])(=[O:11])-[O:12]-[C:13]-[C:14].[c:1]-[C:2]=[O:15]	7	3484,3493,3494,3495,3497,3504,18329
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[c:7]:2:[n:8]:[c:9]:[c:10]:[c:11]:[n:12]:2>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1.[c:7]:1(:[n:8]:[c:9]:[c:10]:[c:11]:[n:12]:1)-[Cl:13]	7	3524,3525,9508,10034,15972,22711,37002
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5]>>[c:1]-[N:2]=[C:3]=[S:4].[N:5]	7	3544,33338,36795,38584,40693,40823,40825
+[N:1]-[C:2](-[C:3])=[C:4](-[c:5](:[c:6]):[c:7])-[C:8](=[O:9])-[N:10]>>[N:1]-[C:2](-[C:3])=[C:4](-[C:8](=[O:9])-[N:10])-[Br:11].[c:5](:[c:6])(:[c:7])-[B:13](-[O:12])-[O:14]	7	3583,3584,7410,23341,29405,39647,51896
+[C:1]-[C:2]-[C:3](-[C:4])-[C:5]>>[C:1]-[C:2]=[C:3](-[C:4])-[C:5]	7	3839,8910,11619,23205,26259,26279,52395
+[C:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[N:6]):[n:7]:1>>[C:1]-[C:2](-[C:3]-[Br:9])=[O:8].[S:4]=[C:5](-[N:6])-[N:7]	7	3911,7236,13402,13403,17299,26426,42069
+[C:1]-[C:2](=[C:3]-[c:4])-[C:5]=[O:6]>>[C:1]-[C:2]-[C:5]=[O:6].[C:3](-[c:4])=[O:7]	7	4012,15916,16036,25591,26181,49908,51298
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2]#[N:3].[N+:4](=[N-:5])=[N-:6]	7	4067,20047,46012,47804,47900,47987,48019
+[C:1]-[C:2]-[S:3]-[C:4]>>[C:1]-[C:2]-[Cl:5].[S:3]-[C:4]	7	4204,4905,5280,5330,20554,36286,47463
+[O:1]=[C:2](-[N:3])-[C:5](-[c:4])(-[C:6]-[O:7])-[c:8]>>[O:1]=[C:2](-[N:3])-[C:5](-[c:4])-[c:8].[C:6]-1(=[O:7])-[C:14](-[c:13]:2:[c:11](:[c:10]:[c:9]:[c:32]:[c:31]:2-[N:30]-1-[C:29]-[C:28]-[C:27]-[C:26]-[C:25])-[Br:12])-[c:15]:3:[c:16]:[c:17]-4:[c:18](:[c:19]:[c:20]:3-[O:21])-[O:22]-[C:23]-[O:24]-4	7	4227,4228,4229,4230,4232,4233,4234
+[c:1]-[S:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Cl:5].[c:1]-[S:2]	7	4325,4359,5229,5230,12939,52968,53011
+[c:1]:1:[n:2]:[c:3](:[c:4]:[c:5](-[N:6]-[C:7]):[n:8]:1):[s:9]>>[N:6]-[C:7].[c:1]:1:[n:2]:[c:3](:[c:4]:[c:5](:[n:8]:1)-[Cl:10]):[s:9]	7	4481,6693,9428,19063,50131,50254,51417
+[C:1]-[N:2](-[C:3])-[C:4](-[c:5])-[c:6]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5])(-[c:6])-[Br:7]	7	4509,11571,13813,14791,15167,16202,16203
+[C:1]-[N:2](-[C:3])-[C:8](-[N:4]-[c:5](:[n:6]):[s:7])=[O:9]>>[C:1]-[N:2]-[C:3].[N:4](-[c:5](:[n:6]):[s:7])=[C:8]=[O:9]	7	4526,5299,11430,16549,25782,36430,43147
+[C:1]-[O:2]-[c:3](:[c:4](:[c:5]:[n:7]):[c:9]:[n:8]):[c:6]>>[C:1]-[O:2].[c:3](:[c:4](:[c:5]:[n:7]):[c:9]:[n:8])(:[c:6])-[F:10]	7	4543,7725,14856,32380,33015,46827,50499
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[N:7]-[C:8])=[C:9]-[O:10]>>[N:7]-[C:8].[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:13]-[C:12]-[C:11])=[C:9]-[O:10]	7	4581,6725,12481,12482,12485,43503,46831
+[C:1]-[S:2]>>[C:1]-[S:2]-[C:4](-[C:3])=[O:5]	7	4741,17492,43149,55226,56434,56582,56598
+[N:1]-[C:2](=[O:3])-[C:4]-[n:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1>>[N:1]-[C:2](=[O:3])-[C:4]-[Cl:10].[n:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1	7	4813,13922,13923,13924,13925,49753,51245
+[O:1]=[C:2](-[N:3])-[C:5](-[c:4])(-[c:7](:[c:6]):[c:8])-[O:9]>>[O:1]=[C:2](-[N:3])-[C:5](-[c:4])=[O:9].[c:6]:[c:7]:[c:8]	7	4998,29508,36242,36483,44313,51584,52146
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8])-[O:9]>>[C:1](-[c:6](:[c:5](-[N:4]):[c:8]):[c:7])(=[O:9])-[O:11].[N:2]-[C:3]=[O:10]	7	5085,27739,40290,42408,42520,44599,44601
+[C:1]-[C:2]-[O:3]-[C:4]>>[O:3]-[C:4].[C:1]-[C:2]-[O:13]-[S:10](-[c:9]:1:[c:8]:[c:7]:[c:6](-[C:5]):[c:15]:[c:14]:1)(=[O:11])=[O:12]	7	5124,5126,11793,12527,22047,37910,55452
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2].[c:3](:[c:4])(:[c:5])-[N+:7](=[O:6])-[O-:8]	7	5210,32895,32903,32983,33027,47799,48235
+[c:1]-[O:2]-[c:3](:[c:4]):[n:6]:[n:5]>>[c:1]-[O:2].[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:7]	7	5432,27589,27590,39171,41613,50673,54582
+[c:1]:[c:2](:[c:3])-[C:6](=[N:5]-[C:4])-[C:7]>>[c:1]:[c:2]:[c:3].[C:4]-[N:5]-[C:6](-[C:7])=[O:8]	7	5450,27922,33532,37493,39467,54291,56811
+[c:1]-[N:2](-[C:3])-[c:4](:[n:5]):[c:6]>>[c:1]-[N:2]-[c:4](:[n:5]):[c:6].[C:3]-[I:7]	7	5602,22211,22408,25141,27148,31376,31591
+[n:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](:[c:8]:1)-[Br:9].[c:5](:[c:6])(:[c:7])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	7	5796,20649,28405,28459,29094,29095,29232
+[N:1](-[C:2](-[N:6]-[c:5](:[n:3]):[c:4])=[S:10])-[C:8](-[O:7])=[O:9]>>[N:1](=[C:2]=[S:10])-[C:8](-[O:7])=[O:9].[n:3]:[c:5](:[c:4])-[N:6]	7	5902,5903,5904,5906,5907,5908,5909
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[S:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:9].[S:7]-[c:8]	7	6030,25494,34326,49018,49072,53920,54882
+[n:1]:[c:2](-[C:3]-[O:6]):[c:4]:[n:5]>>[n:1]:[c:2](-[C:3]=[O:6]):[c:4]:[n:5]	7	6192,30030,43305,51260,51467,54694,57043
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5]-[c:6])-[c:7]>>[C:5](-[c:6])-[Br:8].[C:1]-[C:2](=[O:3])-[N:4]-[c:7]	7	6247,20149,23527,29768,49609,51110,52169
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[c:1]-[C:2](=[O:9])-[O:10].[N:3]-[c:4](:[c:5](:[c:6])-[N:8]):[c:7]	7	6375,22066,36057,36356,49622,50605,51045
+[c:1]-[C:2]-[S:3]-[c:4]>>[c:1]-[C:2]-[Br:5].[S:3]-[c:4]	7	6436,42494,45572,48546,48699,49542,55855
+[O:1]=[C:2](-[N:3]-[c:4])-[c:5](:[c:6]):[o:7]>>[O:1]=[C:2](-[c:5](:[c:6]):[o:7])-[Cl:8].[N:3]-[c:4]	7	6618,6619,12638,13275,19553,46124,51271
+[N:1](-[C:2]-[C:3])-[C:4]>>[N:1]-[C:4].[C:2](-[C:3])-[O:5]	7	6692,7279,21816,21817,27591,30153,48510
+[c:1]:[c:2](-[N:3]):[n:4]>>[c:1]:[c:2](-[N:3]-1-[C:6](=[O:5])-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14]):[n:4]	7	6840,25242,37942,44557,51369,55756,55813
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1]-[N:2].[C:3](=[O:4])(-[n:10]:1:[c:9]:[c:8]:[n:17]:[c:16]:1)-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	7	7028,7924,7925,7958,9767,32334,39478
+[C:1](-[N:2]-[O:3])(-[c:4])=[O:5]>>[C:1](-[c:4])(=[O:5])-[O:7]-[C:6].[N:2]-[O:3]	7	7032,9943,24993,25003,47070,47092,47120
+[n:1]:[c:2](-[C:3](-[N:4])=[O:5]):[c:6]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:8]-[C:7]):[c:6].[N:4]	7	7094,7095,25679,39036,40691,40721,41005
+[C:1](-[C:2](=[O:3])-[O:4])(-[C:5]-[C:6](-[C:7])=[O:9])=[O:8]>>[C:5]-[C:6](-[C:7])=[O:9].[C:1](-[C:2](=[O:3])-[O:4])(=[O:8])-[O:12]-[C:11]-[C:10]	7	7235,10654,26270,26370,27920,30903,30912
+[c:1]-[O:2]-[C:5](-[C:4]-[C:3])-[O:6]>>[c:1]-[O:2].[C:3]-[C:4]=[C:5]-[O:6]	7	7253,43731,43740,43752,43756,43765,43769
+[C:1](-[C:2])=[O:3]>>[O:3]-1-[C:4]-[C:6]-[C:7]-[C:8]-1.[C:1](-[C:2])#[N:5]	7	7293,13095,13096,13097,13109,13117,13122
+[C:1]-[C:2](-[C:3])(-[F:4])-[C:5]>>[C:1]-[C:2](-[C:3])(-[C:5])-[O:14].[F:4]-[S:11](-[N:8](-[C:7]-[C:6])-[C:9]-[C:10])(-[F:12])-[F:13]	7	7596,9949,9950,17257,21979,23598,25860
+[c:1]-[N:2]-[C:3](=[N:4])-[c:5](:[c:6]):[s:7]>>[c:1]-[N:2].[C:3](=[N:4])(-[c:5](:[c:6]):[s:7])-[S:9]-[C:8]	7	7749,12823,12841,18291,18442,18445,41736
+[s:1]:[c:2](-[N:3]-[S:4](=[O:5])(=[O:6])-[c:7]):[n:8]>>[s:1]:[c:2](-[N:3]):[n:8].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:9]	7	7839,37229,42840,42841,42861,54266,55408
+[C:1]-[C:2](-[C:3]#[N+:5])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:6].[C-:3]#[N+:5]	7	7891,7921,8016,11500,18064,18647,33553
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:7].[O:1]-[C:2](=[O:3])-[Cl:8]	7	8023,9893,9897,30793,32358,34854,50216
+[C:1]-[C:2](-[C:3]=[O:5])-[C:4]>>[C:1]-[C:2](=[C:3]-[O:5]-[C:6])-[C:4]	7	8835,9164,10039,11508,28740,49387,54047
+[O:1]=[C:2](-[c:3])-[O:4]>>[O:1]=[C:2]-[c:3].[O:4]=[C:6](-[C:5])-[C:7]	7	8937,26320,26321,26332,26341,26345,26348
+[N:1]-[c:2]:1:[n:3]:[c:4](-[C:5](=[N:6])-[C:7](=[O:8])-[O:9]):[c:10]:[s:11]:1>>[C:4](-[C:5](=[N:6])-[C:7](=[O:8])-[O:9])(-[C:10]-[Cl:13])=[O:12].[N:1]-[C:2](-[N:3])=[S:11]	7	9091,26825,42045,42046,42049,42050,42051
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](=[O:3])-[Cl:4]	7	9558,16034,25461,27695,27759,48571,54618
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[s:8])-[C:9]>>[C:1]-[N:2]-[C:9].[S:3](=[O:4])(=[O:5])(-[c:6](:[c:7]):[s:8])-[Cl:10]	7	9608,13693,13913,15130,45517,46134,46241
+[C:1]-[C:2](-[c:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](-[c:3])-[Cl:7]	7	9899,13780,13785,13932,15062,15063,19656
+[O:1]=[C:2](-[N:3])-[C:5](-[S:4])=[C:6]-[c:7]>>[O:1]=[C:2](-[N:3])-[C:5]-[S:4].[C:6](-[c:7])=[O:8]	7	9930,14316,14626,25850,38713,38734,41657
+[C:1]-[c:2]:1:[c:3](-[c:4]):[n:5]:[c:6](:[c:7]):[c:9]:1:[c:8]>>[C:1]-[C:2]-[C:3](-[c:4])=[O:11].[N:5](-[c:6](:[c:7]):[c:9]:[c:8])-[N:10]	7	9969,16037,16041,49352,50171,53487,53584
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[c:8]:[n:9]>>[n:1]:[c:2]:[c:3](:[c:7]:[c:8]:[n:9])-[Br:10].[c:4](:[c:5])(:[c:6])-[B:12](-[O:11])-[O:13]	7	10071,14593,14594,25971,46579,46590,54703
+[C:1]-[C:2](=[O:3])-[C:4]=[C:5]>>[C:1]-[C:2](=[O:3])-[N:10](-[O:9]-[C:8])-[C:11].[C:4](=[C:5])-[Mg:7]-[Br:6]	7	10201,10205,10210,11255,16555,16561,16573
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[n:7]:[c:8]:[c:9]>>[N:3]-[C:4](=[O:5])-[C:6].[c:1]:[c:2](:[n:7]:[c:8]:[c:9])-[Cl:10]	7	10632,20218,29687,38330,43614,44084,44085
+[n:1]:[c:2]:[c:3](-[I:4]):[c:5]:[n:6]>>[n:1]:[c:2]:[c:3]:[c:5]:[n:6].[I:4]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	7	10903,22826,22827,33585,33955,44421,44434
+[c:1]:[c:2](:[c:3]):[n:8]:[c:5](:[c:4])-[O:6]-[C:7]>>[O:6]-[C:7].[c:1]:[c:2](:[c:3]):[n:8]:[c:5](:[c:4])-[Cl:9]	7	10907,15984,16302,32714,32863,33050,50183
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+[c:1]:[c:2](-[N:3](-[C:4])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]):[n:5]>>[c:1]:[c:2](-[N:3]-[C:4]):[n:5].[C:6]-[C:7](-[C:8])(-[C:9])-[O:10]-[C:11](=[O:12])-[O:20]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]	7	11206,15430,21048,21112,21166,21218,21359
+[c:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1):[c:8]>>[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1.[c:1]:[c:2](:[c:8])-[B:10](-[O:9])-[O:11]	7	11271,19750,19751,25257,34627,53891,54244
+[N:1](-[C:2])-[c:3]>>[C:2]=[O:4].[N:1]-[c:3]	7	11323,16590,16591,16592,16604,16605,16606
+[c:1]:1(:[c:2]:[n:3]:[n:4]:[c:5]:1)-[I:6]>>[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1.[I:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	7	11444,19779,23143,39472,39473,44408,44440
+[C:1](=[O:2])(-[C:3](-[C:4]-[c:5])(-[C:6])-[C:7])-[O:8]>>[C:1](=[O:2])(-[C:3](-[C:6])-[C:7])-[O:8].[C:4](-[c:5])-[Br:9]	7	11692,13386,22548,22549,22551,26400,52119
+[n:1]:[n:2](:[c:3](-[N:4]-[C:5]):[c:6]):[c:8](:[c:7]):[c:9]>>[N:4]-[C:5].[n:1]:[n:2](:[c:3](:[c:6])-[Cl:10]):[c:8](:[c:7]):[c:9]	7	11771,11776,12164,12165,12183,12186,12190
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1>>[c:1]-[O:2].[S:3](=[O:4])(=[O:5])(-[c:6]:1:[c:7]:[c:8]:[c:9](-[C:10]):[c:11]:[c:12]:1)-[Cl:13]	7	11838,27594,27700,27701,27702,46070,49317
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]):[c:8]):[c:9]:1>>[c:6](:[c:7])(:[c:8])-[B:12](-[O:11])-[O:13].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[I:10]	7	11843,17535,40598,40609,40621,43312,48316
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[n:7]):[c:10]>>[c:3]:1(:[c:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[n:7])-[Cl:11].[c:1]:[c:2](:[c:10])-[B:13](-[O:12])-[O:14]	7	12001,15930,15935,37042,38493,38494,38699
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:5](-[C:6])(=[O:8])-[O:9].[C:1]-[C:2](-[N:3]-[O:4])=[N:7]	7	12088,18746,22200,22574,23305,41721,41722
+[C:1](-[N:2]-[c:3])(-[N:4]-[C:5])=[S:6]>>[N:4]-[C:5].[C:1](=[N:2]-[c:3])=[S:6]	7	12483,17606,21437,23165,41419,41562,42116
+[c:1](:[n:2]):[c:4](:[c:3])-[c:5](:[c:6]):[c:8]:[n:7]>>[c:5](:[c:6])(:[c:8]:[n:7])-[B:11](-[O:10])-[O:12].[c:1](:[n:2]):[c:4](:[c:3])-[Br:9]	7	12533,13439,15909,17149,32360,32491,46773
+[n:1]:[c:2]:[c:3](-[C:4](-[N:5])=[O:6]):[s:7]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:6])-[O:8]):[s:7].[N:5]	7	12560,15829,20430,39761,40893,40948,40965
+[C:1](=[O:2])-[O:4]-[C:3]>>[C:1](=[O:2])-[O:4].[C:3](-[Cl:5])-[Cl:6]	7	12650,35057,35091,35105,35109,35111,35123
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+[C:1]-[N:2]-[C:3]-[c:4]>>[C:1]-[N:2]=[C:3]-[c:4]	7	12981,14385,25046,28868,32307,55736,56189
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:7]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:8].[O:7]	7	13286,36975,36981,42955,43005,43008,43010
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[C:2]#[N:3].[N+:4](=[N-:5])=[N-:6]	7	13322,17315,37486,39912,47898,47924,47928
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[O:9]	7	13574,22864,41626,41637,43681,46059,47425
+[s:1]:[c:2](-[N:3]):[n:4]>>[s:1]:[c:2](-[N:3]-[C:6](-[C:5])=[O:7]):[n:4]	7	14018,20787,45254,45906,53143,55316,55627
+[c:1]:[c:4](-[C:2]-[S:3]):[c:5]>>[c:1]:[c:4]:[c:5].[C:2](-[S:3])-[Cl:6]	7	14021,35049,43549,45967,45968,45969,53019
+[c:1]:[c:2](-[N:3]-[c:4]:1:[n:5]:[c:6]:[c:7]:[s:8]:1):[n:9]>>[c:1]:[c:2](-[N:3]):[n:9].[c:4]:1(:[n:5]:[c:6]:[c:7]:[s:8]:1)-[Cl:10]	7	14224,24468,25092,31891,42828,42832,42837
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])#[N:5].[O:3]-[C:4]	7	14302,32771,32777,32888,32966,33098,33100
+[c:1]-[S:2]>>[c:1]-[S:2]-[C:4]#[N:3]	7	14422,25358,26103,29583,41357,48547,55889
+[O:1]-[C:2]-1=[C:3]-[N:4](-[c:5])-[N:6]=[C:7]-[C:8]-1=[O:9]>>[O:1]-[C:2]-[C:8](-[C:7]=[N:6]-[N:4]-[c:5])=[O:9].[C:3](-[O:11]-[C:10])(-[O:12]-[C:13])-[N:14](-[C:15])-[C:16]	7	15866,39667,40086,40392,43151,43152,43187
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2]=[O:3].[O:4]-[P:6](=[O:5])(-[O:7])-[O:8]	7	15902,40133,44635,47328,47329,47332,47333
+[N:1]=[C:2](-[C:3](-[C:4])=[O:7])-[C:5]=[O:6]>>[N:1]=[C:2](-[C:3](=[O:7])-[N:10](-[O:9]-[C:8])-[C:11])-[C:5]=[O:6].[C:4]-[Mg+:12]	7	15904,39695,40077,40205,47552,47553,47556
+[C:1]=[C:2]-[C:3](-[O:4])-[c:5]>>[C:1]=[C:2]-[Mg:7]-[Br:6].[C:3](=[O:4])-[c:5]	7	16558,16559,16560,16567,16568,16572,16574
+[n:1]:[c:10]:1:[c:3](:[n:2]):[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:[n:9]:1>>[n:1]:[c:10]:1:[c:3](:[n:2]):[c:4](:[n:7]:[c:8]:[n:9]:1)-[Cl:11].[N:5]-[c:6]	7	16579,38990,39516,39519,42649,48611,52844
+[C:1]-[N:2](-[C:3])-[c:4]>>[C:3]=[O:5].[C:1](-[B:6])#[N:7].[N:2]-[c:4]	7	16688,16689,16690,16691,16692,16693,16694
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[C:5]=[N+:7]=[N-:6].[C:1]-[C:2](=[O:3])-[O:4]	7	16771,16772,16777,16782,16783,16784,16787
+[n:1]:1:[c:2]:[c:3](-[Cl:4]):[c:5]:[n:6]:1>>[n:1]:1:[c:2]:[c:3]:[c:5]:[n:6]:1.[Cl:4]-[S:8](=[O:7])(=[O:9])-[Cl:10]	7	17118,39067,39857,40101,40102,45438,45442
+[c:1]:[c:2](-[N:3]):[n:4]>>[c:1]:[c:2](-[N:3]-[C:9](-[C:6](-[C:5])(-[C:7])-[C:8])=[O:10]):[n:4]	7	17397,17406,17408,17417,17529,17543,17550
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[n:9]>>[c:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[n:9])-[Cl:10]	7	17823,23961,45396,50182,50777,50779,50780
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[F:4]	7	18205,26045,26781,28319,35958,50911,53301
+[C:1]-[O:2].[C:3]-[O:4]>>[C:1]-[O:2]-[C:5](-[O:4]-[C:3])(-[C:6])-[C:7]	7	20137,23518,29350,29351,43712,43717,50415
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1>>[C:1]-[C:2]-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1	7	20485,22281,22808,22869,24776,45199,45859
+[c:1]:[c:2](-[n:3]:1:[c:4](:[c:5]):[c:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[B:11](-[O:10])-[O:12].[n:3]:1:[c:4](:[c:5]):[c:6]:[c:7]:[c:8]:1	7	20598,27401,44687,46537,46539,50042,56636
+[n:1]:[c:2]:[c:3](-[C:4]=[O:5]):[c:6]:[n:7]>>[n:1]:[c:2]:[c:3](-[C:4]-[O:5]):[c:6]:[n:7]	7	20821,38445,38617,48518,48519,49002,51538
+[c:1]:1:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[n:7]:[n:8]:1>>[c:1]:1:[c:2]:[c:3](:[n:7]:[n:8]:1)-[I:9].[c:4](:[c:5])(:[c:6])-[B:11](-[O:10])-[O:12]	7	21452,21476,23113,27304,38160,48691,51906
+[c:1]-[N:2]>>[c:1]-[N:2]-[C:7]-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:9]:[c:8]:1	7	21571,21572,27016,52463,52464,53703,56404
+[n:1]:[c:2]:[c:3](-[C:4](-[N:5])=[O:6]):[n:7]>>[n:1]:[c:2]:[c:3](-[C:4]#[N:5]):[n:7].[O:6]-[O:8]	7	23528,37809,40189,41553,46143,47266,47325
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[O:1]-[C:2](=[O:3])-[Cl:7].[N:4](-[C:5])-[c:6]	7	24354,25479,27252,27258,30772,30778,33235
+[c:1]:[c:2](-[C:3](-[N:4])=[O:5]):[n:6]>>[c:1]:[c:2](-[C:3]#[N:4]):[n:6].[O:5]-[O:7]	7	24439,30027,38797,40000,47265,47283,47284
+[c:1]-[N:2](-[C:3]#[N:4])-[C:5]>>[c:1]-[N:2]-[C:5].[C:3](#[N:4])-[Br:6]	7	25025,25028,25029,25030,25031,25032,41197
+[c:1]:[c:2](-[I:3]):[c:4]>>[c:1]:[c:2]:[c:4].[I:3]	7	25328,34559,40440,40450,40451,40453,40468
+[c:1]:1:[n:2]:[c:3](:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:1)-[Cl:10]>>[c:1]:1:[n:2]:[c:3](:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:1)-[O:15].[Cl:10]-[P:12](=[O:11])(-[Cl:13])-[Cl:14]	7	25722,27896,35225,35247,35323,35514,35517
+[c:1]:[c:4]-1:[c:3](:[c:2])-[C:10](-[C:9]-[C:8]-[C:5]-1(-[C:6])-[C:7])(-[C:11])-[C:12]>>[C:5](-[C:6])(-[C:7])(-[C:8]-[C:9]-[C:10](-[C:11])(-[C:12])-[Cl:14])-[Cl:13].[c:1]:[c:4]:[c:3]:[c:2]	7	25959,25960,25961,25962,25963,25964,25965
+[c:1]-[C:2](=[N:3]-[O:5])-[c:4]>>[c:1]-[C:2](-[c:4])=[O:6].[N:3]-[O:5]	7	26838,47047,47069,47116,47142,47147,47186
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:4](-[C:3])-[C:5]	7	27285,27320,27333,27348,27377,53352,54256
+[c:1]:[c:3](:[c:2])-[c:4](:[c:5]:[n:6]):[c:8]:[n:7]>>[c:4](:[c:5]:[n:6])(:[c:8]:[n:7])-[Br:9].[c:1]:[c:3](:[c:2])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	7	27315,28373,28424,28956,28994,29139,29158
+[c:1]-[c:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[n:8]:[o:9]:1>>[c:1]-[C:2](-[C:3]-[C:4](-[C:5](=[O:6])-[O:7])=[O:10])=[O:11].[N:8]-[O:9]	7	27326,27602,43927,44267,44268,47133,47180
+[O:1]-[C:2]>>[O:1](-[C:2])-[Si:11](-[C:5](-[C:6])-[C:7])(-[C:9](-[C:8])-[C:10])-[C:12](-[C:3])-[C:4]	7	27519,27526,27530,27533,27536,27538,27540
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n+:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n+:6]:[c:7]:[c:8]:1)-[N+:10](=[O:9])-[O-:11]	7	30411,30453,32908,32961,36924,46960,51460
+[C:1]-[n:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1>>[C:1]-[I:7].[n:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	7	31166,31453,31569,31575,31600,31610,31814
+[C:1]-[N:2]-[C:3]=[O:4]>>[C:1]-[N:2].[C:3](=[O:4])-[O:7]-[C:6]-[C:5]	7	31180,31181,31183,31187,31190,31192,31196
+[O:1]-[N:2]=[C:3](-[C:4])-[c:5](:[n:6]):[c:7]>>[O:1]-[N:2].[C:3](-[C:4])(-[c:5](:[n:6]):[c:7])=[O:8]	7	31206,33252,33266,33929,46285,46308,47072
+[C:1]-[N:2](-[c:3]:[c:4]:[n:5])-[S:6]>>[C:1]-[I:7].[N:2](-[c:3]:[c:4]:[n:5])-[S:6]	7	31417,31523,31536,31537,31549,31550,31551
+[c:1]:[c:2](-[N:3]-[c:4]):[c:5]>>[N:3]-[c:4].[c:1]:[c:2](:[c:5])-[I:6]	7	32397,33202,33203,33357,34070,49293,54865
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[n:6]:[c:7]:1-[c:8]>>[c:1]:[c:2](:[c:3](:[c:4])-[F:10])-[C:7](-[c:8])=[O:9].[N:5]-[N:6]	7	33293,39631,42218,42219,42289,42290,42291
+[c:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:1]-[C:2](=[O:3])-[N:10](-[O:9]-[C:8])-[C:11].[c:4](:[c:5])(:[c:6])-[Br:7]	7	33371,33462,33463,33464,36804,50731,51591
+[c:1]-[C:4](-[N:3]-[C:2])-[C:5]>>[c:1]-[C:4](=[N:3]-[C:2])-[C:5]	7	33431,39584,45359,46237,49433,49885,56998
+[C:1](-[C:2]-[C:3](-[C:4](-[F:5])(-[F:6])-[F:7])=[O:9])=[O:8]>>[C:1](-[C:2])=[O:8].[C:3](-[C:4](-[F:5])(-[F:6])-[F:7])(=[O:9])-[O:12]-[C:11]-[C:10]	7	34274,37343,37349,37351,37353,37354,37355
+[c:1](:[c:2]:[c:3]):[n:4]>>[c:1](:[c:2](:[c:3])-[C:6](=[O:5])-[O:7]):[n:4]	7	34280,34281,34344,34382,49133,50002,53141
+[c:1]:1:[n:2]:[c:3]:[c:5](:[c:4]):[n:6]:[c:7]:1-[Cl:8]>>[c:1]:1:[n:2]:[c:3]:[c:5](:[c:4]):[n:6]:[c:7]:1-[O:13].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	7	34316,34317,35201,35290,35384,35510,35511
+[c:1]-[C:2](=[N:3]-[c:4])-[C:8]-[C:6](-[N:5])=[O:7]>>[c:1]-[C:2](-[C:8]-[C:6](-[N:5])=[O:7])=[O:9].[N:3]-[c:4]	7	38478,38529,48995,51219,51220,54707,57054
+[n:1]:1:[c:2](:[c:3]):[c:5](:[c:4]):[c:6](:[c:7]:1:[c:8]):[c:9]>>[N+:1](-[c:7](:[c:6](-[c:5](:[c:2]:[c:3]):[c:4]):[c:9]):[c:8])(=[O:10])-[O-:11]	7	51768,53194,53196,53243,53244,54499,55649
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[Br:4].[C:1]-[C:2]-[O:5]	6	132,165,228,359,384,402
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[Br:6]>>[Br:6]-[Br:7].[c:1](:[n:2]):[c:5]:[c:4]:[n:3]	6	214,256,264,276,438,461
+[O:1]=[S:2](=[O:3])(-[O:4]-[C:5])-[c:6]>>[O:4]-[C:5].[O:1]=[S:2](=[O:3])(-[c:6])-[Cl:7]	6	589,3090,17716,23352,39893,43902
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:4](=[O:5])(-[C:6])-[Br:7].[C:1]-[N:2]-[C:3]	6	602,604,606,621,622,4795
+[C:1]-[N:2](-[C:3]-[C:4](-[N:5])=[O:6])-[C:7]>>[C:3](-[C:4](-[N:5])=[O:6])-[Br:8].[C:1]-[N:2]-[C:7]	6	628,630,631,2456,19712,34763
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6]>>[N:1]-[C:2](=[O:3])-[C:4]-[Br:7].[N:5]-[C:6]	6	633,10840,11478,11647,12429,14342
+[O:1]=[C:2](-[O:3])-[C:4]-[N:5]-[c:6]>>[O:1]=[C:2](-[O:3])-[C:4]-[Br:7].[N:5]-[c:6]	6	668,18166,30632,30633,30649,30715
+[O:1]=[C:2](-[O:3]-[C:4]-[C:5]=[O:7])-[C:6]>>[C:4](-[C:5]=[O:7])-[Br:8].[O:1]=[C:2](-[O:3])-[C:6]	6	728,4541,26421,36380,44123,50837
+[C:1]-[C:2](-[C:3])(-[C:4]-[C:5])-[C:6](=[O:7])-[O:8]>>[C:4](-[C:5])-[Br:9].[C:1]-[C:2](-[C:3])-[C:6](=[O:7])-[O:8]	6	864,5744,5745,5748,22550,24946
+[C:1]-[C:2]-[N:3](-[c:4])-[S:5]>>[C:1]-[C:2]-[Br:6].[N:3](-[c:4])-[S:5]	6	890,3749,3784,5155,5178,21791
+[n:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:1>>[n:1]:1:[c:2]:[n:3]:[c:4](:[c:8]:1)-[Br:9].[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12]	6	1035,19302,46583,46584,46699,54704
+[c:1]-[C:2](-[O:3])-[c:4]:1:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1>>[c:4]:1:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1.[c:1]-[C:2]=[O:3]	6	1094,1096,44312,45683,48167,48168
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5]#[C:6]-[C:7]):[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:8]:1)-[Br:9].[C:5]#[C:6]-[C:7]	6	1100,1396,1400,17134,17259,17262
+[c:1](:[n:2]:[c:3](-[O:4]-[c:5]):[c:6]):[c:7]>>[c:1](:[n:2]:[c:3](:[c:6])-[Br:8]):[c:7].[O:4]-[c:5]	6	1127,50456,50622,52926,55029,55037
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[c:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Br:12].[c:6]:1(:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[B:14](-[O:13])-[O:15]	6	1131,10236,23012,46480,46559,46747
+[O:1]-[C:2](-[c:3](:[c:4]):[c:6]:[n:5])(-[C:7])-[C:8]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:9].[O:1]=[C:2](-[C:7])-[C:8]	6	1139,1193,11913,26327,43833,49718
+[c:1]:[c:2](-[C:3]#[C:4]):[c:5]:[n:6]>>[c:1]:[c:2](:[c:5]:[n:6])-[Br:7].[C:3]#[C:4]	6	1198,46260,48937,48938,49446,55712
+[c:1]:1:[c:2]:[s:3]:[c:4](-[c:5](:[c:7]):[c:8]):[n:6]:1>>[c:1]:1:[c:2]:[s:3]:[c:4](:[n:6]:1)-[Br:9].[c:5](:[c:7])(:[c:8])-[B:11](-[O:10])-[O:12]	6	1213,1232,1233,14062,29553,45413
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[o:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[o:8]:1)-[Br:9].[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12]	6	1239,5940,45267,46400,46474,46736
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[C:6]#[C:7]-[C:8]):[c:9]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[I:10].[C:6]#[C:7]-[C:8]	6	1288,1291,5090,5328,11929,17260
+[C:1]#[C:2]-[C:3]-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]#[C:2]-[C:3]-[Br:6]	6	1298,1313,1317,1320,1323,51917
+[C:1](-[N:2]-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12])-[C:4](-[N:3])=[O:5]>>[C:6]-[C:7](-[C:8])(-[C:9])-[O:10]-[C:11](=[O:12])-[O:20]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19].[C:1](-[N:2])-[C:4](-[N:3])=[O:5]	6	1330,6887,7449,20997,21188,21210
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5](:[c:6])-[O:8])(:[c:7])-[I:9]	6	1356,1357,1364,1369,1391,20138
+[c:1]:[c:2](-[C:3]#[C:4]-[C:5]):[c:6]>>[C:3]#[C:4]-[C:5].[c:1]:[c:2](:[c:6])-[O:10]-[S:8](=[O:7])(=[O:9])-[C:11](-[F:12])(-[F:13])-[F:14]	6	1360,2177,17369,25984,34166,37592
+[c:1](:[n:2]):[c:3]-[c:4]:1:[c:5]:[c:6](-[C:7]):[n:8]:[o:9]:1>>[c:1](:[n:2]):[c:3]-[C:4]#[C:5].[C:6](-[C:7])(=[N:8]-[O:9])-[Cl:10]	6	1446,1447,1448,1455,1456,1457
+[C:1]#[C:2]-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1>>[C:1]#[C:2].[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:1)-[I:8]	6	1458,40605,48690,51855,55700,55979
+[C:1](-[c:2])=[C:3](-[C:4]#[N:5])-[C:6]#[N:7]>>[C:3](-[C:4]#[N:5])-[C:6]#[N:7].[C:1](-[c:2])=[O:8]	6	1484,1485,1487,1494,1495,1496
+[C:1]-[C:2](-[C:3](-[C:4]-[c:5])-[C:6](=[O:7])-[O:8])=[O:9]>>[C:4](-[c:5])-[Br:10].[C:1]-[C:2](-[C:3]-[C:6](=[O:7])-[O:8])=[O:9]	6	1514,2168,5520,26405,29653,29654
+[c:1]:[c:2](-[I:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:6].[I:3]-[I:5]	6	1523,39212,40500,40503,40504,40560
+[n:1]:[c:2](-[C:3]-[C:4]-[C:5](=[O:7])-[O:8]):[c:6]>>[n:1]:[c:2](-[C:3]=[C:4]-[C:5](=[O:7])-[O:8]):[c:6]	6	1595,25174,27449,39788,43392,56917
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[c:8]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5]-[c:6](:[n:7]):[c:8]	6	1602,1965,1967,1968,1969,1975
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[C:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:7].[O:5]-[C:6]	6	1642,1643,1666,1676,1677,1681
+[O:1]=[C:2](-[N:3]-[C:4])-[c:5](:[c:6]):[s:7]>>[O:1]=[C:2](-[c:5](:[c:6]):[s:7])-[Cl:8].[N:3]-[C:4]	6	1722,5724,6632,17609,22236,44299
+[C:1](-[C:2]-[O:3])-[C:4]-[O:5]>>[C:1](-[C:2](=[O:3])-[O:8]-[C:7]-[C:6])-[C:4](=[O:5])-[O:9]-[C:10]-[C:11]	6	1868,43021,44231,44232,55245,56800
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6](-[C:7]):[s:8]:1>>[C:4](-[c:5])(-[C:6](-[C:7])-[Br:10])=[O:9].[N:1]-[C:2](-[N:3])=[S:8]	6	2063,42057,42060,42066,42071,42076
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]-[C:7]>>[C:3](=[O:4])(-[C:5]=[C:6]-[C:7])-[Cl:8].[c:1]-[N:2]	6	2079,2080,2081,2082,2083,53728
+[c:1]-[C:2](-[C:3]#[N:4])-[C:5](-[C:6])=[O:7]>>[c:1]-[C:2]-[C:3]#[N:4].[C:5](-[C:6])(=[O:7])-[O:8]-[C:10]-[C:9]	6	2211,5822,10646,30523,30527,30528
+[C:1]-[c:2]:1:[c:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1>>[C:1]-[C:2](-[C:3]-[Cl:11])=[O:10].[n:4](:[c:5]:[c:6]):[c:8](:[c:7])-[N:9]	6	2231,2235,2237,35034,35038,35041
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:5]-[O:4]-[C:3]	6	2810,12156,19371,49458,54306,55283
+[C:1]-[C:2](-[C:3])(-[c:4])-[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1>>[C:1]-[C:2](-[C:3])(-[c:4])-[O:10].[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1	6	2881,29709,49971,50300,50961,51109
+[C:1]-[n:2]:1:[c:3](-[C:4]):[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:1]-[N:2]-[c:7](:[c:6](-[N:5]-[C:3](-[C:4])=[O:10]):[c:9]):[c:8]	6	2908,11620,19914,19927,25846,26810
+[c:1]-[C:2]=[C:3]-[c:4]>>[c:1]-[C:2]=[O:13].[C:3](-[c:4])-[P:8](-[O:7]-[C:6]-[C:5])(=[O:9])-[O:10]-[C:11]-[C:12]	6	2937,6019,6020,17719,31220,38623
+[C:1](=[O:2])(-[C:3](-[c:4](:[c:5]):[c:6])-[C:9](-[O:8])=[O:10])-[O:7]>>[c:4](:[c:5])(:[c:6])-[F:11].[C:1](=[O:2])(-[C:3]-[C:9](-[O:8])=[O:10])-[O:7]	6	3176,3191,3193,5700,5701,18172
+[C:1](=[O:2])-[C:3](-[C:4](=[O:5])-[N:6]-[C:7])=[C:8]-[N:9]>>[C:1](=[O:2])-[C:3](-[C:4](=[O:5])-[O:12]-[C:11]-[C:10])=[C:8]-[N:9].[N:6]-[C:7]	6	3287,14456,17800,28856,30929,49891
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[Cl:8]>>[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[O:13].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	6	3341,34449,35352,35380,35428,35528
+[C:1]-[C:2]-1=[C:3]-[C:4](=[C:5]=[N-:6])-[N+:7](-[C:8]=[C:9]-1)=[O:14]>>[C:1]-[c:2]:1:[c:3]:[c:4]:[n+:7](:[c:8]:[c:9]:1)-[O-:14].[C:5](#[N:6])-[Si:11](-[C:10])(-[C:12])-[C:13]	6	3508,25064,25137,33851,33862,33863
+[c:1]:[c:2](-[N:3]-[C:4](-[C:5])-[C:6]):[n:7]>>[C:4](-[C:5])(-[C:6])=[O:8].[c:1]:[c:2](-[N:3]):[n:7]	6	3797,10180,12343,12344,26310,43829
+[C:1](-[C:2])(-[c:3](:[c:4]):[c:5])=[O:6]>>[C:1](=[C:2])(-[O:6]-[C:21]-[C:22])-[Sn:12](-[C:11]-[C:10]-[C:9]-[C:8])(-[C:13]-[C:14]-[C:15]-[C:16])-[C:17]-[C:18]-[C:19]-[C:20].[c:3](:[c:4])(:[c:5])-[Br:7]	6	3973,3974,3977,3982,3984,3985
+[C:1]-[S:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[C:1]-[S:2].[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:8]	6	4053,7345,27721,29382,47452,47453
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2]-[Br:4].[I:3]	6	4161,18240,19969,40412,40418,40457
+[s:1]:[c:2](-[N:3]-[C:4]=[O:5]):[n:6]>>[s:1]:[c:2](-[N:3]):[n:6].[C:4](=[O:5])-[O:7]	6	4265,4645,26830,41401,41403,41405
+[C:1]-[S:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[S:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	6	4270,5281,5337,6070,43633,47458
+[c:1]:[c:3](:[c:2])-[C:4]-[C:5]=[C:6]>>[c:1]:[c:3](:[c:2])-[Br:7].[C:4](-[C:5]=[C:6])-[Sn:12](-[C:11]-[C:10]-[C:9]-[C:8])(-[C:13]-[C:14]-[C:15]-[C:16])-[C:17]-[C:18]-[C:19]-[C:20]	6	4276,4278,4281,4282,4284,4285
+[C:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7].[C:1]-[C:2]-[Cl:9]	6	4319,14395,15886,25712,32309,34259
+[C:1]-[C:2](=[O:3])-[C:4]=[C:5]-[C:6]>>[C:5](-[C:6])=[O:13].[C:1]-[C:2](=[O:3])-[C:4]-[P:9](-[O:8]-[C:7])(=[O:10])-[O:11]-[C:12]	6	4486,6962,7752,33277,43046,43495
+[C:1]-[N:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])-[Cl:7].[C:1]-[N:2]	6	4577,11019,14507,32473,35145,41828
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5])-[O:13]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11]	6	4634,6761,8778,19047,23377,44446
+[c:1](:[c:2]-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]>>[c:1](:[c:2]-[C:3](=[O:4])-[Cl:8]):[n:7].[N:5]-[C:6]	6	4788,4789,6108,6608,42093,49135
+[C:1]=[C:2](-[C:3])-[C:4]-[O:6]-[c:5]>>[C:1]=[C:2](-[C:3])-[C:4]-[Cl:7].[c:5]-[O:6]	6	4806,4808,4809,4810,4811,49110
+[C:1]-[C:2]-[c:3]:[c:4]:[n:5]>>[C:1]-[C:2](-[c:3]:[c:4]:[n:5])=[O:6]	6	4814,15137,26401,32269,49994,54555
+[c:1]:1:[n:2]:[c:3]:[c:5](:[c:4]):[n:6]:[c:7]:1-[N:8]-[C:9]>>[N:8]-[C:9].[c:1]:1:[n:2]:[c:3]:[c:5](:[c:4]):[n:6]:[c:7]:1-[Cl:10]	6	4985,10067,10068,14303,55842,55934
+[c:1](:[c:2](-[C:3](-[N:4]-[c:5]:[c:7]:[n:6])=[O:10]):[n:8]):[n:9]>>[c:1](:[c:2](-[C:3](=[O:10])-[O:11]):[n:8]):[n:9].[N:4]-[c:5]:[c:7]:[n:6]	6	5070,37870,38449,42803,48646,49742
+[c:1](:[n:2]):[c:3]-[O:4]-[C:5]-[C:6]>>[C:5](-[C:6])-[O:7].[c:1](:[n:2]):[c:3]-[O:4]	6	5172,18795,40044,49503,51582,54658
+[N:1]#[C:2]-[C:3]-[C:4]-[N:5]-[C:6]>>[N:5]-[C:6].[N:1]#[C:2]-[C:3]=[C:4]	6	5242,7319,11941,32278,34691,41252
+[c:1]:[c:2]:[n:3]:[n:4]>>[c:1]:[c:2](:[n:3]:[n:4])-[Cl:5]	6	5429,13397,13850,15915,42544,55948
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:5](-[C:6])(=[O:8])-[O:9].[c:1]-[C:2](=[N:3]-[O:4])-[N:7]	6	5457,7591,12308,44129,44182,53746
+[N:1](-[C:2](=[O:3])-[C:4])-[c:5]>>[N+:1](-[c:5])(=[O:9])-[O-:10].[C:2](=[O:3])(-[C:4])-[O:8]-[C:7]-[C:6]	6	5629,35883,39860,43472,50472,54600
+[N:1](-[c:2](:[c:3]:[n:4]):[c:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]>>[c:2](:[c:3]:[n:4])(:[c:5])-[C:11](=[O:12])-[O:28].[C:6]-[C:7](-[C:8])(-[C:9])-[O:10].[N:1](=[N+:13]=[N-:29])-[P:14](=[O:15])(-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2	6	5712,17924,17931,17936,17950,17971
+[c:1]-[C:2]-[C:3]=[O:4]>>[c:1]-[C:2]=[C:3]-[O:4]-[C:5]	6	5722,34504,49500,49708,50868,53521
+[C:1]-[O:6]-[S:3](-[c:2]:1:[c:7]:[c:8]:[c:10](-[C:9]):[c:11]:[c:12]:1)(=[O:4])=[O:5]>>[C:1]-[O:6].[c:2]:1(-[S:3](=[O:4])(=[O:5])-[Cl:13]):[c:10](:[c:8]:[c:7]:[c:11]:[c:12]:1)-[C:9]	6	5970,22616,43512,45902,45904,45905
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5]>>[O:1]-[C:2](-[C:3])=[O:6].[N:4]-[c:5]	6	6245,7030,7583,8948,8950,43726
+[O:1]=[C:2]-[c:3]>>[C:2](-[c:3])#[N:4].[O:1]	6	6368,20843,23294,23434,42956,43012
+[N:1]-[N:2]-[C:3](-[C:4])=[O:5]>>[N:1]-[N:2].[C:3](-[C:4])(=[O:5])-[Cl:6]	6	6386,6400,10798,10799,12045,26450
+[C:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3]):[c:4].[C:1]-[I:5]	6	6404,24130,31441,31464,31696,31729
+[N-:1]=[N+:2]=[N:3]-[C:4]-[c:5]>>[C:4](-[c:5])-[Cl:6].[N-:1]=[N+:2]=[N-:3]	6	6430,6454,12958,13917,22051,47993
+[c:1]:[c:2]:[n:3]:[c:4](-[c:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1):[c:11]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:11])-[Cl:12].[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[B:14](-[O:13])-[O:15]	6	6469,6542,18342,46743,46746,56363
+[c:1]-[C:5](-[C:3](-[N:2])=[O:4])=[C:6]-[N:7]-[c:8]>>[c:1]-[C:5](-[C:3](-[N:2])=[O:4])-[C:6]=[O:9].[N:7]-[c:8]	6	6554,6555,31341,49576,50724,53789
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1-[C:9]):[c:7]>>[c:1]-[C:2]=[O:10].[N:3]-[c:4](:[c:5](:[c:6])-[N:8]-[C:9]):[c:7]	6	6716,10678,17891,17892,17899,22689
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]-[N:7]-[C:8](=[O:9])-[c:10](:[c:11]):[n:12]>>[C:3]-1(=[O:4])-[c:5]:[c:6]-[N:7]=[C:8](-[O:9]-1)-[c:10](:[c:11]):[n:12].[C:1]-[N:2]	6	6743,26951,36271,39962,41849,41851
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]#[N:6]):[n:7]:[c:8]:[c:9]:1>>[C:1]-[C:2]-1=[C:3]-[C:4](=[C:5]=[N-:6])-[N+:7](-[C:8]=[C:9]-1)=[O:10]	6	6943,24869,24938,43434,43442,50609
+[N:1]#[C:2]-[c:3]:1:[n:4]:[c:5](-[C:6]):[c:7]:[c:8]:[c:9]:1>>[N-:1]=[C:2]=[C:3]-1-[N+:4](-[C:5](-[C:6])=[C:7]-[C:8]=[C:9]-1)=[O:10]	6	6944,10144,18230,50610,52245,54558
+[C:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:7]-[C:8]>>[C:1]=[C:2]-1-[O:3]-[C:5](-[C:4]-1)=[O:6].[O:7]-[C:8]	6	6947,6951,6952,6953,6954,6956
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:6]	6	7029,7619,13752,14755,29565,52518
+[C:1](-[C:2])-[Cl:3]>>[C:1](-[C:2])-[O:7].[Cl:3]-[C:5](-[Cl:4])-[Cl:6]	6	7100,14057,34995,34996,35003,35005
+[N:1]#[C:2]-[c:3]>>[N:1](=[C:2]-[c:3])-[O:4]	6	7211,18234,19222,37734,50595,54761
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[c:6]):[n:7]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[c:6]):[n:7])-[Cl:8]	6	7357,12733,13892,14662,32500,32706
+[c:1]:1:[n:2]:[c:3](-[N:4](-[C:5])-[C:6]):[c:7](:[n:8]):[c:10](:[n:9]):[n:11]:1>>[N:4](-[C:5])-[C:6].[c:1]:1:[n:2]:[c:3](:[c:7](:[n:8]):[c:10](:[n:9]):[n:11]:1)-[Cl:12]	6	7359,13015,13734,14747,15594,19658
+[c:1](:[n:2]):[c:5]:1:[c:4](:[n:3]):[n:11]:[c:10]:[c:6]:1-[c:7](:[c:8]):[c:9]>>[c:1](:[n:2]):[c:5]:1:[c:4](:[n:3]):[n:11]:[c:10]:[c:6]:1-[I:21].[c:7](:[c:8])(:[c:9])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	6	7602,7603,9524,12270,13999,14627
+[C:1]-[O:10]-[S:7](-[c:6]:1:[c:5]:[c:4]:[c:3](-[C:2]):[c:12]:[c:11]:1)(=[O:8])=[O:9]>>[C:1]-[O:10].[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6](-[S:7](=[O:8])(=[O:9])-[O:21]-[S:18](-[c:17]:2:[c:16]:[c:15]:[c:14](-[C:13]):[c:23]:[c:22]:2)(=[O:19])=[O:20]):[c:11]:[c:12]:1	6	7620,52020,53989,53990,53991,53992
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[C:3](=[O:4])(-[C:5]=[C:6])-[O:7].[c:1]-[N:2]	6	7967,16526,16527,16529,33239,53113
+[c:1]:1:[c:2]:[o:3]:[c:4](-[Br:5]):[c:6]:1>>[Br:5]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1]:1:[c:2]:[o:3]:[c:4]:[c:6]:1	6	8168,8512,8632,8646,8728,8758
+[N:1](-[C:2]-[C:3](=[O:4])-[O:5])-[C:6]-[C:7]>>[C:6](-[C:7])=[O:8].[N:1]-[C:2]-[C:3](=[O:4])-[O:5]	6	8965,8968,18506,20390,23287,24862
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:7]:[c:8](:[c:9]):[n:12]:1:[c:11]:[c:10]>>[N:7]-[c:8](:[c:9]):[n:12]:[c:11]:[c:10].[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[C:6])=[O:13])-[Cl:14]	6	9025,9027,40376,40384,42459,43360
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:8]-[C:7]-[C:6]-[C:5]	6	9233,12280,16340,23782,38537,40330
+[c:1]:[c:3](:[c:2])-[C:4]=[C:5]-[C:6]>>[c:1]:[c:3]:[c:2].[C:4]#[C:5]-[C:6]	6	9293,17542,29778,51631,55202,55715
+[C:1]-[C:2]-[I:3]>>[C:1]-[C:2]-[O:12]-[S:9](-[c:8]:1:[c:7]:[c:6]:[c:5](-[C:4]):[c:14]:[c:13]:1)(=[O:10])=[O:11].[I:3]	6	9381,37163,40420,40458,40459,40460
+[c:1]-[C:2]-[C:3]-[C:4](=[O:5])-[N:6]>>[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[N:6]	6	9454,13969,14341,30225,38751,46198
+[N:1]#[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[N:1]#[C:2]-[C:3]-[Cl:7]	6	9603,9739,13876,14869,15153,41309
+[C:1]-[N:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:8](:[c:7]):[n:9]:1)-[C:10]>>[C:1]-[N:2]-[C:10].[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:8](:[c:7]):[n:9]:1)-[Cl:11]	6	9757,13824,15086,15539,19689,39421
+[c:1](:[n:2]):[c:4](:[c:3])-[c:5]:1:[n:6]:[c:7](:[c:8]:[c:10]:[n:11]:1):[c:9]>>[c:5]:1(:[n:6]:[c:7](:[c:8]:[c:10]:[n:11]:1):[c:9])-[Cl:21].[c:1](:[n:2]):[c:4](:[c:3])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	6	10004,14491,14493,15881,29047,29285
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[Cl:14].[C:1]-[N:2](-[C:6])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	6	10183,10593,10594,10595,18752,19475
+[C:1](-[N:2]-[N:3])(-[c:4]:[c:5]:[n:6])=[O:7]>>[N:2]-[N:3].[C:1](-[c:4]:[c:5]:[n:6])(=[O:7])-[O:8]	6	10263,11764,12448,23499,37929,42223
+[c:1]-[N:2](-[C:3](=[O:4])-[C:5](-[F:6])(-[F:7])-[F:8])-[C:9]>>[c:1]-[N:2]-[C:9].[C:3](=[O:4])(-[C:5](-[F:6])(-[F:7])-[F:8])-[O:12]-[C:11](=[O:10])-[C:13](-[F:14])(-[F:15])-[F:16]	6	10273,37308,37309,37319,37328,37335
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1](:[c:2]):[c:3].[O:4]-[B:5](-[O:6])-[O:10]-[C:8](-[C:7])-[C:9]	6	10304,11892,11969,28308,28309,28310
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[c:1]-[C:2](=[O:9])-[O:10].[N:3]-[c:4](:[c:5](:[c:6])-[O:8]):[c:7]	6	10311,42635,49523,50378,51878,53791
+[C:1](=[O:2])(-[C:3])-[O:4]>>[C:1](=[O:2])-[C:3].[O:4]-[C:6](-[C:5])(-[C:7])-[C:8]	6	10436,17917,17930,17938,17949,17988
+[N:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[C:7]-[c:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:6]-[C:5].[C:7](-[c:8])-[Br:9]	6	10550,26536,28880,28888,28889,52250
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2]-[O:8].[Cl:3]-[C:5](-[Cl:4])(-[Cl:6])-[Cl:7]	6	10718,33944,34863,34864,34865,34867
+[c:1](-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]:[n:10]>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11].[c:1](-[N:2]):[c:9]:[n:10]	6	10726,14554,14555,14556,14557,26214
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[F:9]	6	10742,12031,26185,26497,26532,38687
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:10]-[C:9].[c:1]-[N:2]	6	10879,20368,38573,41333,48810,52845
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5]):[c:6]:[n:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[c:6]:[n:7]:[c:8]:1)-[Br:9].[O:4]-[C:5]	6	10909,11397,16116,19534,32915,45675
+[c:1]-[S:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:6].[c:1]-[S:2]	6	10945,15379,29391,39024,39197,48807
+[O:1]=[C:2](-[N:3]-[c:4])-[N:5]-[C:6]>>[N:3]-[c:4].[N:5]-[C:6].[O:1]=[C:2](-[Cl:7])-[O:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	6	10982,10994,11006,11024,11063,22174
+[N:1]-[c:2]:[c:3]-[C:4](-[N:5]-[C:6])=[O:7]>>[N:5]-[C:6].[N:1]-1-[c:2]:[c:3]-[C:4](=[O:7])-[O:10]-[C:9]-1=[O:8]	6	11025,26953,29986,30154,36414,44509
+[n:1]:[c:2]:1:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]:[n:9]:[n:10]:1>>[N:6]-[C:7].[n:1]:[c:2]:1:[c:3](-[C:4](=[O:5])-[O:11]):[c:8]:[n:9]:[n:10]:1	6	11048,12311,17781,37480,46853,51574
+[C:1]-[N:2]-[C:3]-[C:4]-[C:5](=[O:6])-[O:7]>>[C:1]-[N:2].[C:3]=[C:4]-[C:5](=[O:6])-[O:7]	6	11074,16532,16543,18087,30130,30593
+[N:1]-[c:2](:[n:3]):[c:4]>>[N:1](-[c:2](:[n:3]):[c:4])=[N+:6]=[N-:5]	6	11209,31900,39660,47886,47894,47895
+[c:1]:[n:2]:[c:3](-[N:4]):[n:5]:[c:6]>>[c:1]:[n:2]:[c:3](:[n:5]:[c:6])-[Cl:7].[N:4]	6	11222,37019,37022,40773,40869,40970
+[C:1]-[O:2]-[C:3]=[O:4]>>[O:2]-[C:3]=[O:4].[C:1]=[N+:6]=[N-:5]	6	11418,16778,16779,16780,16781,16785
+[c:1]:1:[n:2]:[c:3](-[c:4]:2:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:2):[n:10]:[c:11]:[c:12]:1>>[c:1]:1:[n:2]:[c:3](:[n:10]:[c:11]:[c:12]:1)-[Cl:22].[c:4]:1(:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1)-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21]	6	11889,17465,17490,17534,17561,29260
+[c:1]-[N:2]-[C:4](-[C:3]#[N:7])(-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])=[O:12].[c:1]-[N:2].[C:3](#[N:7])-[Si:9](-[C:8])(-[C:10])-[C:11]	6	11910,11912,12336,33860,33866,33867
+[n:1]:[c:2]:[c:3]-[O:4]-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])-[O:8].[n:1]:[c:2]:[c:3]-[O:4]	6	11995,12526,23718,33250,46859,48535
+[C:1]-[N:2](-[c:3](:[n:4]):[c:5])-[C:6]>>[N:2](-[c:3](:[n:4]):[c:5])-[C:6].[C:1]-[I:7]	6	12515,18839,18840,24983,26860,31414
+[C:1](-[c:2](:[c:3]:[s:4]):[n:5])=[O:6]>>[C:1](-[c:2](:[c:3]:[s:4]):[n:5])-[O:6]	6	12656,42855,50719,50820,51505,51683
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[N:6]-[c:7])-[C:8](=[O:9])-[N:10]-[N:11]-1>>[N:6]-[c:7].[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:12])-[C:8](=[O:9])-[N:10]-[N:11]-1	6	12807,28444,42418,51269,54879,54880
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Cl:5].[c:1]-[N:2]	6	12941,14109,48778,48800,54864,54877
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[c:6]):[c:7]:[n:8]>>[C:4](=[O:5])(-[c:6])-[O:9].[n:1]:[c:2](-[N:3]):[c:7]:[n:8]	6	13047,13281,24855,36899,52709,52724
+[c:1]:[c:2]-1:[c:3](:[c:4])-[C:5]-[C:6]-[C:7]-[N:8]-1>>[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5]:[c:6]:[c:7]:[n:8]:1	6	13313,43589,50229,51434,51450,57248
+[c:1]-[N:3](-[C:2])-[C:4]>>[C:4]=[O:5].[c:1]-[N:3]-[C:2]	6	13314,16598,16622,16669,16676,16729
+[C:1]-[C:2](-[N:3])-[c:4]>>[C:1]-[C:2](-[c:4])=[O:7].[N:3]#[C:6]-[C:5]	6	13525,13974,14173,18736,41208,41215
+[c:1]:[c:2](-[C:3](-[N:4])=[O:5]):[s:6]>>[c:1]:[c:2](-[C:3](=[O:5])-[O:8]-[C:7]):[s:6].[N:4]	6	13603,14929,38603,38604,40128,40657
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1>>[C:2](=[O:3])(-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)-[O:9].[N:1]	6	13607,22081,25813,38620,40895,40988
+[S:1]=[C:2]-1-[N:3]-[c:4]:[c:5]-[N:6]-1>>[N:3]-[c:4]:[c:5]-[N:6].[S:1]=[C:2]=[S:7]	6	14027,15177,28750,47443,47444,47450
+[c:1]-[C:2]=[C:3]-[C:4]>>[c:1]-[C:2](-[C:3]-[C:4])-[O:5]	6	14106,28715,46035,52458,56751,56835
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6]-[c:7]):[n:8]:1>>[N:6]-[c:7].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:8]:1)-[S:11](=[O:9])(-[C:10])=[O:12]	6	14136,14263,39514,45316,46226,48362
+[N:1]-[C:2](=[O:3])-[C:4]>>[C:2](-[O:3])(-[C:4])=[O:5].[N:1]	6	14196,18554,23282,36263,36512,40854
+[n:1]:1:[c:2]:[c:3](:[c:4]:[c:6]:1:[n:5])-[I:7]>>[n:1]:1:[c:2]:[c:3]:[c:4]:[c:6]:1:[n:5].[I:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	6	14355,19343,23671,27336,44394,44405
+[O:1]=[S:2](=[O:3])(-[N:4]-[C:5])-[c:6]:[c:7]:[n:8]>>[N:4]-[C:5].[O:1]=[S:2](=[O:3])(-[c:6]:[c:7]:[n:8])-[Cl:9]	6	14407,17765,17766,21742,25900,37477
+[N:1]-[C:2](=[O:3])-[C:4](=[O:5])-[C:6]>>[N:1]-[C:2](=[O:3])-[C:4](-[O:5])-[C:6]	6	14463,46806,52232,52241,56325,56331
+[O:1]-[C:2]-[c:3](:[c:4]):[s:5]>>[O:1]=[C:2]-[c:3](:[c:4]):[s:5]	6	14500,29839,30928,51412,53249,56173
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]>>[N:8](-[C:9])(-[C:10])-[C:23]-[c:22]:1:[c:21]:[c:20]:[c:19]:[c:25]:[c:24]:1.[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:18]-[C:16](-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14])=[O:17]	6	14525,20972,21212,21213,21225,21322
+[c:1]-[N:2]-[C:3](=[S:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[c:1]-[N:2]=[C:3]=[S:4]	6	14668,15001,26531,41563,52889,52890
+[O:1]=[C:2](-[C:3])-[c:4]>>[O:1]-1-[C:2](-[C:3])(-[c:4])-[O:7]-[C:5]-[C:6]-1	6	15280,15287,15289,43793,54023,54025
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1):[c:9]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1)-[Br:10].[c:1]:[c:2](:[c:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	6	15419,28358,28433,28961,28965,29206
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]:[n:8]):[c:10]:[n:9]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6](:[c:7]:[n:8]):[c:10]:[n:9])-[O:11]	6	15420,15588,15589,15653,15762,16009
+[c:1]:[c:2](-[N:3]-[c:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[Cl:6].[N:3]-[c:4]	6	15507,16057,35988,48392,48850,54881
+[C:1]-1(=[C:2]-[N:3]-[C:4]-[C:5](-[N:6])=[C:7]-1)-[B:9](-[O:8])-[O:10]>>[C:1]-1(=[C:2]-[N:3]-[C:4]-[C:5](-[N:6])=[C:7]-1)-[Br:11].[O:8]-[B:9](-[O:10])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	6	15788,16339,27995,28002,28132,28282
+[c:1]:[c:2]:[n:3]:[c:4]:[c:5]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[Cl:6]	6	15852,38401,48537,49559,51293,54502
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[I:9].[c:3]:1(:[c:4]:[c:5]:[c:6]:[s:7]:1)-[B:11](-[O:10])-[O:12]	6	15863,19764,34615,38575,46575,46796
+[n:1]:[c:2]:[c:3]-[N:4]-[S:5](-[C:6])(=[O:7])=[O:8]>>[n:1]:[c:2]:[c:3]-[N:4].[S:5](-[C:6])(=[O:7])(=[O:8])-[Cl:9]	6	15910,42546,42733,44903,45117,45337
+[C:1]-[C:2](=[N:3]-[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[C:2](-[c:5]:[c:6]:[n:7])=[O:8].[N:3]-[O:4]	6	15954,17113,35861,47071,47163,47192
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:4]-[O:5].[C:1]-[C:2](=[O:3])-[O:8]-[C:7]-[C:6]	6	16287,39496,47046,47119,47146,47168
+[C:1](-[O:2])-[C:3]-[n:4]:1:[c:5]:[n:6]:[c:7]:[n:8]:1>>[C:1]-1-[O:2]-[C:3]-1.[n:4]:1:[c:5]:[n:6]:[c:7]:[n:8]:1	6	16311,16312,37160,54557,55236,55610
+[n:1]:1:[c:2](-[C:3]=[O:4]):[n:5]:[c:6]:[c:7]:1>>[n:1]:1:[c:2]:[n:5]:[c:6]:[c:7]:1.[C:3](=[O:4])-[N:9](-[C:8])-[C:10]	6	16552,17732,32041,32093,32185,32202
+[C:1]-[C:2](-[O:3])(-[c:4])-[C:5](-[F:6])(-[F:7])-[F:8]>>[C:1]-[C:2](=[O:3])-[c:4].[C:5](-[F:6])(-[F:7])(-[F:8])-[Si:10](-[C:9])(-[C:11])-[C:12]	6	17131,27957,38336,38338,38339,38341
+[c:1](:[c:2]):[n:6]:[c:4](:[c:3])-[N:5]>>[c:1](:[c:2]):[n:6]:[c:4](:[c:3])-[Br:7].[N:5]	6	17165,26091,27857,27876,40749,40801
+[C:1](=[N:2]-[c:3])=[S:4]>>[N:2]-[c:3].[C:1](=[S:4])(-[N:11]-1-[C:6](=[O:5])-[C:7]=[C:8]-[C:9]=[C:10]-1)-[N:12]-2-[C:13]=[C:14]-[C:15]=[C:16]-[C:17]-2=[O:18]	6	17371,17373,17374,23971,37675,42615
+[c:1]-[C:2](-[C:3])-[C:4]>>[c:1]-[C:2](=[C:3])-[C:4]	6	17626,19281,22195,24050,33407,55939
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[N:2]=[C:3]=[S:4].[N:5](-[C:6])-[C:7]	6	17815,32549,32550,32555,32558,32559
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[c:7]:[s:8]:1>>[c:1]:1:[c:2](:[c:6]:[c:7]:[s:8]:1)-[B:11](-[O:10])-[O:12].[c:3](:[c:4])(:[c:5])-[Br:9]	6	17864,46751,46752,46753,46754,46755
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[S:13](-[c:12]:1:[c:7](-[N+:5](=[O:4])-[O-:6]):[c:8]:[c:9]:[c:10]:[c:11]:1)(=[O:14])=[O:15]	6	18188,21633,24978,32345,45542,45605
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:[c:9]:1-[N:8]-[N:7]>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:[c:9]:1-[Cl:10].[N:7]-[N:8]	6	18455,23679,36948,42225,42228,42233
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]-[C:8](=[O:9])-[O:10]>>[N:5](-[C:6])-[C:7]-[C:8](=[O:9])-[O:10].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:11]	6	18675,18676,21718,21719,27097,53930
+[N:1]-[C:2]-[C:3](=[O:4])-[O:5]>>[N:1](-[C:2]-[C:3](=[O:4])-[O:5])-[C:7](=[O:6])-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	6	18988,28744,54250,56435,56513,56518
+[C:1]-[C:2](-[C:3])(-[C:4])-[C:5](=[O:6])-[O:7]>>[C:1]-[C:2](-[C:4])-[C:5](=[O:6])-[O:7].[C:3]-[I:8]	6	19039,22547,24700,25072,25802,31461
+[n:1]:[c:2]:1:[c:3](-[I:4]):[c:5]:[n:6]:[n:7]:1>>[n:1]:[c:2]:1:[c:3]:[c:5]:[n:6]:[n:7]:1.[I:4]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	6	19442,33932,36807,40308,44413,44420
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[c:6]>>[N:1]-[C:2](=[O:3])-[C:4]-[Cl:7].[N:5]-[c:6]	6	19548,34059,43563,45933,46010,46066
+[C:1]-[O:6].[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]-[O:6]-[C:3](-[C:2])=[O:4].[O:5]	6	19943,19944,19947,20050,42888,42996
+[C:1]-[C:2]-[c:3]>>[C:1]=[C:2]-[c:3]	6	20201,35876,44672,44779,48421,50194
+[C:1]-[C:2](-[O:3])-[c:4](:[n:5]):[c:6]>>[C:1]-[C:2](=[O:3])-[c:4](:[n:5]):[c:6]	6	20408,24470,36818,39332,50262,50390
+[C:1]-[C:2]-[O:3]-[N:4](-[C:6]=[O:5])-[C:7]=[O:8]>>[C:1]-[C:2]-[O:9].[O:3]-[N:4](-[C:6]=[O:5])-[C:7]=[O:8]	6	20533,24375,27282,39841,45987,50767
+[c:1](:[n:2]:[c:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1):[c:9]):[c:10]>>[c:1](:[n:2]:[c:3](:[c:9])-[Cl:20]):[c:10].[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19]	6	20591,22842,26611,28489,28516,28519
+[O:1]=[C:2](-[C:3]-[C:4](-[c:5])=[O:8])-[N:7]-[c:6]>>[c:6]-[N:7].[O:1]=[C:2]-1-[C:3]=[C:4](-[c:5])-[O:8]-[C:10](-[C:9])(-[C:11])-[O:12]-1	6	20659,20674,20676,20682,20683,24075
+[N:1]-[c:2](:[n:3]):[s:4]>>[N:1](-[c:2](:[n:3]):[s:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]	6	20867,20868,20877,20880,24212,24218
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[C:7](=[O:8])(-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])-[O:21]-[C:19](-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])=[O:20].[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1	6	20967,21134,21141,21149,21157,21169
+[c:1]-[C:2]-[N:3]-[C:4](=[O:5])-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17]>>[C:4](=[O:5])(-[O:13]-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12])-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17].[c:1]-[C:2]#[N:3]	6	20978,21117,21240,21241,21246,21257
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:10](=[O:11])-[O:19]-[C:16](-[C:15])(-[C:17])-[C:18].[C:1]-[N:2]=[N+:14]=[N-:13]	6	21067,21068,21069,21234,21282,21333
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[c:7]:[s:8]:1>>[c:3](:[c:4])(:[c:5])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:1]:1:[c:2](:[c:6]:[c:7]:[s:8]:1)-[Br:9]	6	21546,25747,29074,29097,29214,29229
+[O:1]=[C:2](-[N:3]-[C:4]-[C:6](-[N:5])=[O:7])-[O:8]>>[N:3]-[C:4]-[C:6](-[N:5])=[O:7].[O:1]=[C:2](-[O:8])-[Cl:9]	6	21592,26242,26465,26643,30807,52023
+[n:1]:1:[c:2]:[c:3](-[N:4]-[C:5](=[O:6])-[c:7]):[c:8]:[n:9]:1>>[C:5](=[O:6])(-[c:7])-[O:10].[n:1]:1:[c:2]:[c:3](-[N:4]):[c:8]:[n:9]:1	6	21872,23560,30879,42525,42542,48255
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]-[O:4].[O-:3]-[Cl+:6]-[O:5]	6	22277,23491,26895,47007,47014,47015
+[n:1]:[c:2](-[C:3]=[O:5]):[c:4]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:8]-[C:7]-[C:6]):[c:4]	6	22358,25809,25810,37915,48279,53369
+[C:1]#[C:2]-[C:3]>>[C:1](#[C:2]-[C:3])-[Si:5](-[C:4])(-[C:6])-[C:7]	6	22484,33723,33724,33725,33726,33731
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6]):[n:7]:1>>[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:7]:1)-[S:9](-[C:8])(=[O:10])=[O:11].[N:6]	6	22949,27676,38327,40673,40674,40675
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2]-[I:5].[C:3]#[N:4]	6	23464,33554,41061,41062,41132,41167
+[c:1]:1:[n:2]:[c:3](-[N:4]-[c:5]):[c:6]:[n:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[c:6]:[n:7]:[c:8]:1)-[Cl:9].[N:4]-[c:5]	6	23543,23556,29695,36799,37810,40188
+[c:1]:1:[c:2](-[C:3]-[O:4]-[c:5]):[c:6]:[n:7]:[o:8]:1>>[c:1]:1:[c:2](-[C:3]-[Cl:9]):[c:6]:[n:7]:[o:8]:1.[O:4]-[c:5]	6	24388,29181,48583,48584,48585,48586
+[C:1]-[O:2]>>[C:1]-[O:2]-[Si:3]-[C:5](-[C:4])(-[C:6])-[C:7]	6	24462,24464,24475,52076,52087,52088
+[c:1]-[C:2]-1-[C:3]-[C:4]-[N:5]-[C:6]-[C:7]-1>>[c:1]-[c:2]:1:[c:3]:[c:4]:[n:5]:[c:6]:[c:7]:1	6	25307,39297,55595,57061,57063,57066
+[n:1]:[n:2]:1:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]:[c:9]:1:[c:10]>>[n:1]:[n:2]:1:[c:3](:[c:7]:[n:8]:[c:9]:1:[c:10])-[Br:11].[c:4](:[c:5])(:[c:6])-[B:13](-[O:12])-[O:14]	6	26050,27259,46500,46697,54329,54700
+[N:1]-1-[c:2]:[c:4](:[c:3])-[C:5](-[C:6])(-[C:7])-[C:8]-[C:9]-1-[c:10]>>[C:5](-[C:6])(-[C:7])=[C:8].[N:1]-[c:2]:[c:4]:[c:3].[C:9](-[c:10])=[O:11]	6	26223,26224,26226,26227,26228,26229
+[c:1]-[C:2](-[O:3]-[C:6])-[O:5]-[C:4]>>[c:1]-[C:2]=[O:5].[O:3](-[C:6])-[C:9](-[O:8]-[C:7])-[O:10]-[C:4]	6	27287,43191,43197,43199,43203,43207
+[O:1]-[C:2]=[C:3]-[c:4]>>[C:3](-[c:4])=[O:5].[O:1]-[C:2]-[P+:10](-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:24]:[c:23]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:3	6	27585,27696,44638,49353,49706,53207
+[c:1]:1-[N:2]-[C:3](-[C:4](-[c:5]:1:[c:6])=[O:8])=[O:7]>>[c:1](-[N:2]-[C:3](-[C:4]=[N:9]-[O:8])=[O:7]):[c:5]:[c:6]	6	27633,41436,41448,49289,50551,54802
+[c:1]:1:[c:2](:[c:3]:[n:4]:[n:5]:1)-[I:6]>>[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1.[I:6]-[I:7]	6	27931,40510,40520,40556,40571,40581
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]):[c:9]:[n:8]):[c:10]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:10]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20].[c:6](:[c:7])(:[c:9]:[n:8])-[Br:11]	6	28395,28482,28484,28486,28973,29013
+[c:1]-[C:2]#[N:3]>>[c:1]-[C:2]=[O:4].[N:3]-[O:5]	6	28746,38003,44648,44666,44682,47030
+[N:1](-[c:2])-[S:3](=[O:4])(=[O:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[N:1]-[c:2].[S:3](=[O:4])(=[O:5])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:16]-[S:14](=[O:13])(=[O:15])-[C:17](-[F:10])(-[F:11])-[F:12]	6	28783,35925,35997,38228,38233,38235
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[C:11]-1>>[c:1]-[C:2](=[N:3]-[O:4])-[Cl:12].[C:5](-[c:6])(-[C:7](-[F:8])(-[F:9])-[F:10])=[C:11]	6	28899,29466,29467,29468,35023,37649
+[n:1]:[c:2](-[O:3]-[C:4]-[c:5]):[c:6]>>[n:1]:[c:2](-[O:3]):[c:6].[C:4](-[c:5])-[Br:7]	6	29026,30586,34341,46224,48753,49764
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7](:[c:8]):[s:10]:1):[c:9]>>[C:5](-[c:6](:[c:7](:[c:8])-[F:12]):[c:9])=[O:11].[O:1]-[C:2](=[O:3])-[C:4]-[S:10]	6	29631,38757,44646,44711,44718,47492
+[C:1](-[N:2])-[C:3]=[C:4]>>[C:1](-[N:2]=[N+:6]=[N-:5])-[C:3]=[C:4]	6	29703,47833,50549,52875,56386,56571
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[s:8]>>[C:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[c:6](:[c:7]):[s:8])-[Cl:9]	6	29716,29875,37476,37795,42140,46133
+[c:1]:1:[c:2]:[n:3](:[n:4]:[c:5]:1)-[C:7]-[O:6]>>[O:6]-[C:7]-[Cl:8].[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1	6	30853,33901,33920,33922,33924,33928
+[c:1]:[c:2](-[C:3]-[c:4]):[s:5]>>[c:1]:[c:2](-[C:3](-[c:4])-[O:6]):[s:5]	6	31235,33294,33415,45901,45971,56066
+[C:1]-[C:2]-[C:3](-[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[C:2]-[Mg:9]-[Br:8].[C:3](=[O:4])-[c:5]:[c:6]:[n:7]	6	31266,31269,31270,31272,31280,49696
+[C:1]-1=[C:2]-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]-1>>[C:7]-[I:9].[C:1]-1=[C:2]-[N:3]-[C:4](=[O:5])-[N:6]-[C:8]-1	6	31426,31429,31445,31447,31456,31460
+[N:1]#[C:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:3](-[c:4]:[c:5]:[n:6])-[N:8](-[C:7])-[C:9].[N:1]#[C:2]	6	32423,32424,32425,32426,32427,32428
+[O:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[O:1]-[C:2]-[Cl:9].[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	6	33906,33907,33908,33914,33918,33927
+[O:1]-[c:2]>>[O:1](-[c:2])-[C:7]-[O:6]-[C:5]-[C:4]-[Si:9](-[C:3])(-[C:8])-[C:10]	6	33942,33943,33946,33948,33950,33952
+[c:1]-[C:2]-1-[O:3]-[C:4]-[C:5]-[O:6]-1>>[c:1]-[C:2]=[O:3].[C:4](-[C:5]-[O:6])-[O:7]	6	34089,43572,46952,46962,46976,46977
+[C:1](-[c:2](:[c:3]):[n:4])=[O:5]>>[C:1](-[c:2](:[c:3]):[n:4])=[C:6].[O:5]=[Os:8](=[O:7])(=[O:9])=[O:10]	6	34108,38422,40279,46325,46326,46333
+[c:1]:[c:2](:[c:3])-[O:4]>>[c:1]:[c:2](:[c:3])-[C:5]=[O:4]	6	34334,48467,49898,54150,55350,56775
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[n:9]>>[c:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[n:9])-[Cl:10]	6	34491,34493,34494,34495,49351,55061
+[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:5]>>[Cl:5]-[S:7](=[O:6])-[Cl:8].[C:1]-[S:2](=[O:3])(=[O:4])-[O:9]	6	35616,35617,35618,35775,35826,35832
+[C:1](-[c:2])(-[c:3])-[Cl:4]>>[Cl:4]-[S:6](=[O:5])-[Cl:7].[C:1](-[c:2])(-[c:3])-[O:8]	6	35699,35788,35789,35790,35817,35819
+[c:1]-[n:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[N:2].[N-:4]=[N+:5]=[N-:6].[C:3](-[O:7]-[C:8])(-[O:10]-[C:9])-[O:11]-[C:12]	6	36087,36350,43192,43193,43194,43195
+[c:1]-[C:4]-[C:3]-[c:2]>>[c:1]-[C:4]=[C:3]-[c:2]	6	36738,38624,51382,54100,54103,55618
+[c:1]:[c:2](-[N:3]-[c:4]):[n:5]:[n:6]>>[N:3]-[c:4].[c:1]:[c:2](:[n:5]:[n:6])-[Cl:7]	6	36794,49837,49974,54505,55333,55375
+[c:1]:[c:3](:[c:2])-[n:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1>>[n:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1.[c:1]:[c:3](:[c:2])-[I:9]	6	36806,38987,44320,50816,54832,54833
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2]-[I:6].[N-:3]=[N+:5]=[N-:4]	6	37164,47901,48036,48044,48060,48066
+[c:1]-[C:2]-1-[C:3]-[C:4]-[C:5]-[N:6]-[C:7]-1>>[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:7]:1	6	39259,45261,50317,53237,53245,55792
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:8]:1-[c:7]>>[C:1]-[C:2](-[N:3]-[N:4])=[O:9].[C:5](-[C:6])(-[N:8]-[c:7])=[S:10]	6	41278,41695,41698,42336,42338,42341
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[n:6]:[c:7]:[c:8]:[c:9]:[c:10]:1:2>>[N:1]#[C:2]-[c:10]:1:[c:5](:[n:6]:[c:7]:[c:8]:[c:9]:1)-[Cl:11].[N:3]-[N:4]	6	41326,41350,42183,42235,42247,42320
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:1]-[N:2]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7].[C:3](=[O:9])-[O:10]	6	41479,41555,46892,46893,46898,46902
+[O:1]-[C:2]-1=[C:3](-[O:4])-[C:5](=[O:6])-[C:7](-[C:8])=[C:9](-[C:10])-[C:11]-1=[O:12]>>[O:1]-[c:2]:1:[c:3](-[O:4]):[c:5](-[O:6]-[C:13]):[c:7](-[C:8]):[c:9](-[C:10]):[c:11]:1-[O:12]-[C:14]	6	43267,49951,52685,54237,55093,55848
+[O:1]=[C:2](-[O:3])-[c:4]:[c:5]:[n:6]>>[O-:3]-[Cl+:8]-[O:7].[O:1]=[C:2]-[c:4]:[c:5]:[n:6]	6	44683,47009,47010,47011,47012,47013
+[n:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[c:7]:1:[c:6]>>[N:1]-1-[C:2]-[C:3]-[c:4](:[c:5]):[c:7]-1:[c:6]	6	47819,48415,49112,49966,50000,51667
+[N:1]#[C:2]-[c:3]:[c:4]:[n:5]>>[N:1](=[C:2]-[c:3]:[c:4]:[n:5])-[O:6]	6	48142,48155,49801,49853,50167,51402
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:7](-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:21]:[c:20]:1)(-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3	6	52096,52097,52100,52103,52104,56094
+[n:1]:[c:2]:[c:3](:[c:4])-[Br:5]>>[Br:5].[n:1]:[c:2]:[c:3](:[c:4])-[N:6]	5	18,42,61,80,100
+[C:1](=[O:2])(-[C:3]-[O:4]-[c:5]:[c:7]:[n:6])-[O:8]>>[O:4]-[c:5]:[c:7]:[n:6].[C:1](=[O:2])(-[C:3]-[Br:9])-[O:8]	5	639,645,687,690,18154
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:7]-[C:8](=[O:9])-[O:10]>>[C:7](-[C:8](=[O:9])-[O:10])-[Br:11].[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1	5	642,12415,30669,30702,30717
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7]-[C:8](=[O:9])-[O:10]>>[C:7](-[C:8](=[O:9])-[O:10])-[Br:11].[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1	5	647,709,17579,18106,18144
+[C:1]-[N:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])-[Br:7].[C:1]-[N:2]	5	662,672,2490,10991,11009
+[c:1]:1:[n:2]:[n:3](-[C:4]-[C:5](=[O:6])-[N:7]):[c:8]:[c:9]:1>>[C:4](-[C:5](=[O:6])-[N:7])-[Br:10].[c:1]:1:[n:2]:[n:3]:[c:8]:[c:9]:1	5	725,25706,39871,39873,39874
+[C:1](-[C:2]#[N:3])-[c:4](:[n:5]):[c:6]>>[C:1](-[c:4](:[n:5]):[c:6])-[Br:7].[C:2]#[N:3]	5	900,36330,41028,41099,41165
+[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[Br:6]>>[Br:6]-[P:10](-[Br:7])(=[O:9])-[Br:11].[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[O:8]	5	924,927,928,929,930
+[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[I:6]>>[c:1]:[c:2]:[n:3]:[c:4]:[c:5].[I:6]-[I:7]	5	1052,25114,40511,40514,40517
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]=[O:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[N:3](-[C:4])-[C:5]=[O:6]	5	1113,1114,1116,48236,54705
+[C:1]-[N:2](-[C:3])-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1>>[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Br:10].[C:1]-[N:2]-[C:3]	5	1187,7818,15703,16384,37048
+[N:1](-[C:2]-[c:3](:[c:4]):[s:5])-[C:6]>>[C:2](-[c:3](:[c:4]):[s:5])=[O:7].[N:1]-[C:6]	5	1246,4218,14503,41781,44820
+[C:1]-[C:2]#[C:3]-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1>>[C:1]-[C:2]#[C:3].[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[I:10]	5	1264,1332,23482,23483,33936
+[O:1]=[C:2](-[O:3]-[C:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[O:3]-[C:4].[O:1]=[C:2](-[n:13]:1:[c:9]:[n:10]:[c:11]:[c:12]:1)-[n:14]:2:[c:8]:[n:17]:[c:16]:[c:15]:2	5	1340,11737,11959,15836,22253
+[C:1]-[N:2](-[C:3]-[C:4]#[C:5]-[C:6])-[C:7]>>[C:3]=[O:8].[C:1]-[N:2]-[C:7].[C:4]#[C:5]-[C:6]	5	1341,1381,12673,14655,16746
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:7]-[C:8]-[C:9]#[C:10]>>[O:7]-[C:8]-[C:9]#[C:10].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:11]	5	1395,1397,5094,5095,26043
+[c:1]-[C:2](-[O:3])-[C:4]#[C:5]>>[c:1]-[C:2]=[O:3].[C:4](#[C:5])-[Mg:7]-[Br:6]	5	1420,1421,1422,1423,51726
+[C:1]#[C:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]>>[C:1]#[C:2].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[Br:8]	5	1429,25762,48775,50664,57129
+[c:1]:1-[C:2]-[N:3](-[c:4])-[C:5](=[O:6])-[c:7]:1>>[N:3]-[c:4].[c:1](-[C:2]-[Br:11]):[c:7]-[C:5](=[O:6])-[O:10]-[C:9]-[C:8]	5	1504,6105,18058,18059,36076
+[C:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:7](-[N:6])=[O:8]>>[C:1]-[C:2]-[Br:9].[N:3](-[C:4]=[O:5])-[C:7](-[N:6])=[O:8]	5	1552,6711,24951,41301,46945
+[C:1]=[C:2]-[C:3]-[N:4]-[C:5](-[C:6])=[O:7]>>[C:1]=[C:2]-[C:3]-[N:4].[C:5](-[C:6])(=[O:7])-[O:8]	5	1570,3667,5656,18934,22025
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[O:2].[C:3](-[c:4])-[O:9]-[C:8](=[N:7])-[C:10](-[Cl:5])(-[Cl:6])-[Cl:11]	5	1695,7970,9483,24933,34849
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[s:7]>>[C:1]-[C:2](=[O:3])-[O:8].[N:4]-[c:5](:[c:6]):[s:7]	5	1701,2824,29546,37380,39586
+[N:1](-[C:2](-[C:3])-[C:4])-[c:5](:[n:6]):[n:7]>>[C:2](-[C:3])(-[C:4])=[O:8].[N:1]-[c:5](:[n:6]):[n:7]	5	1703,10136,10137,10138,43836
+[c:1]-[C:2](-[N:3])-[C:4]-[C:5](=[O:6])-[O:7]>>[C:4](-[C:5](=[O:6])-[O:7])-[C:9](=[O:8])-[O:10].[c:1]-[C:2]=[O:11].[N:3]	5	1755,1762,1763,1764,1765
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[O:9]):[n:10]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:13]-[C:12]-[C:11]):[n:10].[N:5]-[C:6]-[C:7](=[O:8])-[O:9]	5	1873,44055,44056,44062,44066
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[s:8]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5]-[c:6](:[n:7]):[s:8]	5	1955,1970,1971,1972,1978
+[C:1]-[C:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Br:7].[C:1]-[C:2]=[O:3]	5	2024,10751,21975,27564,29801
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])-[Br:4].[O:3]	5	2159,7224,42953,42957,42983
+[c:1]:1:[n:2]:[c:3]:[c:5](:[n:4]):[n:6]:1-[C:7]-[c:8]>>[c:1]:1:[n:2]:[c:3]:[c:5](:[n:4]):[n:6]:1.[C:7](-[c:8])-[Br:9]	5	2162,6417,6508,14601,49205
+[c:1]:1:[c:2]:[n:3]:[n:4](-[C:5]-[c:6]):[c:7]:1:[n:8]>>[C:5](-[c:6])-[Br:9].[c:1]:1:[c:2]:[n:3]:[n:4]:[c:7]:1:[n:8]	5	2166,2532,30876,37044,40632
+[N:1]#[C:2]-[C:3]-1(-[c:4])-[C:5]-[C:6]-1>>[C:5](-[C:6]-[Br:8])-[Cl:7].[N:1]#[C:2]-[C:3]-[c:4]	5	2199,3721,3730,3733,3742
+[c:1]:1:[c:2](-[C:3](=[O:4])-[C:5]):[c:6]:[c:7]:[s:8]:1>>[C:3](=[O:4])(-[C:5])-[Cl:9].[c:1]:1:[c:2]:[c:6]:[c:7]:[s:8]:1	5	2426,26582,29857,49587,52370
+[O:1]=[C:2](-[Cl:3])-[c:4](:[c:5]):[s:6]>>[Cl:3]-[C:10](-[C:8](=[O:7])-[Cl:9])=[O:11].[O:1]=[C:2](-[c:4](:[c:5]):[s:6])-[O:12]	5	2575,2644,2707,2723,2760
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[C:7](=[O:8])-[C:9]):[c:10]>>[C:4](=[O:5])(-[C:12](=[O:11])-[Cl:13])-[Cl:14].[N:6]-[C:7](=[O:8])-[C:9].[n:1]:[c:2](-[N:3]):[c:10]	5	2581,2597,2598,2599,2616
+[C:1](-[N:2]=[C:3]=[O:4])=[O:5]>>[C:3](=[O:4])(-[C:7](=[O:6])-[Cl:8])-[Cl:9].[C:1](-[N:2])=[O:5]	5	2638,2642,2643,2662,2687
+[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:5]>>[Cl:5]-[C:9](-[C:7](=[O:6])-[Cl:8])=[O:10].[c:1]-[S:2](=[O:3])(=[O:4])-[O:11]	5	2672,2673,2676,2680,2746
+[c:1]-[C:2]-1=[C:3](-[c:4]:[c:5]:[n:6])-[C:7](=[O:8])-[N:9]-[C:10]-1=[O:11]>>[C:3](-[c:4]:[c:5]:[n:6])(-[C:7](=[O:8])-[O:13]-[C:12])=[O:14].[c:1]-[C:2]-[C:10](-[N:9])=[O:11]	5	2780,2782,32434,32438,32441
+[C:1](=[O:2])-[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[C:1](=[O:2])-[C:3].[C:4]=[O:8].[N:5](-[C:6])-[C:7]	5	2850,15535,16632,16635,16637
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:9]:[c:8](:[n:5]:1)-[N:6]-[c:7]>>[c:1]:[c:4]:1:[c:3](:[c:2]):[n:9]:[c:8](:[n:5]:1)-[Cl:10].[N:6]-[c:7]	5	2916,2923,3015,3533,38820
+[c:1]-[C:2]=[C:3](-[C:4](=[O:5])-[N:6])-[c:7]>>[c:1]-[C:2]=[O:8].[C:3](-[C:4](=[O:5])-[N:6])-[c:7]	5	2949,7076,7740,36388,36460
+[C:1](-[c:2](:[c:3]):[c:4])=[C:14]>>[c:2](:[c:3])(:[c:4])-[I:13].[C:1](=[C:14])-[Sn:19](-[C:5]-[C:6]-[C:7]-[C:8])(-[C:9]-[C:10]-[C:11]-[C:12])-[C:18]-[C:17]-[C:16]-[C:15]	5	2967,2974,2975,2987,2989
+[c:1]:[c:2](-[N:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[C:20](=[O:19])-[O:21].[N:3](-[P:5](=[O:6])(-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)=[N+:23]=[N-:22]	5	3036,7461,10504,19554,50889
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]=[O:6]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5]=[O:6])-[Cl:7]	5	3124,4815,9589,14724,14725
+[C:1]-[N:2](-[C:3])-[C:4](-[C:5])-[C:6]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(-[C:6])-[O:11]-[S:8](-[C:7])(=[O:9])=[O:10]	5	3128,12719,15056,30006,37232
+[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[c:8]):[s:9]>>[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:10]):[s:9].[N:7]-[c:8]	5	3209,8822,15504,38663,42680
+[c:1]:[c:2](-[C:3]-[C:4](-[c:5])=[O:7]):[n:6]>>[C:4](-[c:5])(=[O:7])-[O:10]-[C:9]-[C:8].[c:1]:[c:2](-[C:3]):[n:6]	5	3258,37058,37060,48596,50460
+[S:1]-[c:2]:1:[c:3](-[C:4]):[n:5]:[c:6](:[c:7]):[c:9]:1:[c:8]>>[S:1]-[C:2]-[C:3](-[C:4])=[O:11].[N:5](-[c:6](:[c:7]):[c:9]:[c:8])-[N:10]	5	3262,3263,6558,36232,49423
+[n:1]:[c:2]:[c:3](-[C:4]-[O:6]):[s:5]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:6])-[O:9]-[C:8]-[C:7]):[s:5]	5	3271,9036,24223,34636,39318
+[n:1]:[c:3]:1:[c:2]:[c:7](:[n:6]:[c:5]:[c:4]:1)-[N:8]-[c:9]>>[n:1]:[c:3]:1:[c:2]:[c:7](:[n:6]:[c:5]:[c:4]:1)-[Cl:10].[N:8]-[c:9]	5	3342,14331,22213,22414,36791
+[c:1]-[O:2]-[Si:5](-[c:3])(-[C:4])-[c:6]>>[c:1]-[O:2].[c:3]-[Si:5](-[C:4])(-[c:6])-[Cl:7]	5	3344,36452,43279,49404,50221
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[n:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[n:7])-[O:10]-[C:9]-[C:8].[C:1]-[N:2]	5	3431,21642,32291,36279,36280
+[C:1]-[C:2]-[Cl:3]>>[C:1]-[C:2]-[O:6].[Cl:3]-[S:8](=[O:4])(=[O:5])-[C:7]	5	3574,7297,22278,22305,23163
+[N:1]-[C:7](-[C:6]-[N:3](-[C:2])-[C:4]-[C:5])=[O:8]>>[C:4](-[C:5])-[Br:9].[N:1]-[C:7](-[C:6]-[N:3]-[C:2])=[O:8]	5	3762,7101,16184,16188,41615
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1]:[c:2]:[c:3].[O:4](-[B:5](-[O:6]-[C:12](-[C:13])-[C:14])-[O:8]-[C:16](-[C:7])-[C:15])-[C:9](-[C:10])-[C:11]	5	3844,4039,11970,27197,27209
+[C:1]=[C:2](-[c:3](:[c:4]):[c:5])-[C:6](=[O:7])-[N:8]>>[C:1]=[C:2](-[C:6](=[O:7])-[N:8])-[Br:14].[c:3](:[c:4])(:[c:5])-[Sn:19](-[C:10]-[C:11]-[C:12]-[C:13])(-[C:18]-[C:17]-[C:16]-[C:15])-[C:20]-[C:21]-[C:22]-[C:9]	5	3848,3849,3850,3851,38866
+[C:1]-[C:2]=[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]=[C:3]-[Sn:12](-[C:11]-[C:10]-[C:9]-[C:8])(-[C:13]-[C:14]-[C:15]-[C:16])-[C:17]-[C:18]-[C:19]-[C:20].[c:4](:[c:5])(:[c:6])-[Br:7]	5	3987,3988,3989,3990,4274
+[C:1]-[C:2](-[c:3](:[c:4]):[c:5])-[O:6]>>[C:1]-[C:2]=[O:6].[c:3](:[c:4]):[c:5]	5	4013,4014,26549,29799,49167
+[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[O:7])-[C:6]>>[C:1]-[C:2](-[C:6])=[O:14].[C:3](-[C:4](=[O:5])-[O:7])-[P:10](-[O:9]-[C:8])(=[O:11])-[O:12]-[C:13]	5	4025,13364,27521,33272,33274
+[C:1]-[C:2]=[C:3]-[c:4](:[c:5]):[c:7]:[n:6]>>[C:1]-[C:2]=[C:3].[c:4](:[c:5])(:[c:7]:[n:6])-[Br:8]	5	4056,18397,18398,27428,46839
+[C:1]-[C:2]-[O:3]-[C:4]>>[C:1]-[C:2]-[O:5].[O:3]-[C:4]	5	4057,4241,5201,26092,37908
+[C:1]-[C:2]=[C:3]-[C:4]>>[C:3](-[C:4])=[O:5].[C:1]-[C:2]-[P+:10](-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:24]:[c:23]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:3	5	4081,6141,9563,12293,24924
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[o:7]:1>>[C:1]-[C:2](-[N:3]-[N:4])=[O:7].[C:5](#[N:6])-[Br:8]	5	4130,37367,37368,41194,41202
+[Cl:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:4].[Cl:1]	5	4167,14127,26016,34797,34803
+[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1-[C:7]-[C:8]>>[C:7](-[C:8])-[I:9].[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1	5	4188,7700,28575,30052,30109
+[C:1]-[O:2]-[c:3](:[c:4]:[c:6]:[n:5]):[c:7]>>[C:1]-[O:2].[c:3](:[c:4]:[c:6]:[n:5])(:[c:7])-[O:8]	5	4356,5646,5647,21830,41638
+[c:1]-[C:2]=[C:3]-[c:4]>>[c:1]-[C:2]=[O:5].[C:3](-[c:4])-[P+:10](-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:24]:[c:23]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:3	5	4375,44807,45556,51024,51052
+[C:1]-1-[C:2]-[O:3]-[C:4](-[C:5])(-[C:6])-[O:7]-1>>[C:1](-[C:2]-[O:3])-[O:7].[C:4](-[C:5])(-[C:6])(-[O:9]-[C:8])-[O:10]-[C:11]	5	4547,33206,33207,33208,33210
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8]>>[c:1]-[O:2].[c:3]:1(:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8])-[Cl:10]	5	4552,38771,50158,51215,55243
+[S:1](-[c:2](:[c:3]):[c:4])-[C:5]>>[S:1]-[C:5].[c:2](:[c:3])(:[c:4])-[I:6]	5	4555,10302,22439,24414,42582
+[C:1]-[C:2]-[N:3](-[C:4](-[C:5])=[O:7])-[c:6]>>[C:1]-[C:2]-[Cl:8].[N:3](-[C:4](-[C:5])=[O:7])-[c:6]	5	4823,32311,32315,50803,54203
+[C:1]-1-[C:2]-[O:3]-[C:4](-[C:5])(-[C:6])-[O:7]-[C:8]-1>>[O:3]=[C:4](-[C:5])-[C:6].[C:1](-[C:2]-[O:9])-[C:8]-[O:7]	5	4923,9237,10173,12332,26338
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:9]:[c:6](:[o:5]:1)-[N:7]-[C:8]>>[N:7]-[C:8].[c:1]:[c:4]:1:[c:3](:[c:2]):[n:9]:[c:6](:[o:5]:1)-[Cl:10]	5	4941,18019,42135,43057,48598
+[C:1](=[O:2])(-[C:3]-[N:4]-[C:5]-[c:6])-[O:7]>>[C:1](=[O:2])(-[C:3]-[N:4])-[O:7].[C:5](-[c:6])=[O:8]	5	4945,10447,17997,26635,30756
+[C:1]-[N:2]=[C:3](-[C:4])-[c:5]>>[C:1]-[N:2].[C:3](-[C:4])(-[c:5])=[O:6]	5	4979,4980,19391,49254,56256
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:6]:[n:7]>>[C:1]-[C:2](=[O:3])-[O:9]-[C:8].[N+:4](-[c:5]:[c:6]:[n:7])(=[O:10])-[O-:11]	5	5048,10340,13007,43337,51652
+[N:1]-[C:2](-[C:3]-[C:4]-[N:5](-[C:6])-[C:7])=[O:8]>>[N:1]-[C:2](-[C:3]=[C:4])=[O:8].[N:5](-[C:6])-[C:7]	5	5051,14230,14720,14901,52434
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:8].[C:1]-[O:2]	5	5074,6702,10030,32918,32919
+[C:1](=[O:2])-[O:3]-[C:4]-[C:5]>>[C:4](-[C:5])-[O:6].[C:1](=[O:2])-[O:3]	5	5271,23099,30307,30351,32302
+[C:1]-[O:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:8](:[c:7]):[n:9]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:8](:[c:7]):[n:9]:1)-[Cl:10]	5	5292,20297,32715,32965,32967
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5](-[C:6](=[O:7])-[O:11])=[C:10]-[N:9]-[c:8]>>[C:1]-[O:2]-[C:10]=[C:5](-[C:3](=[O:4])-[O:14]-[C:13]-[C:12])-[C:6](=[O:7])-[O:11].[c:8]-[N:9]	5	5399,5400,5405,5409,5410
+[C:1]-[C:2]=[C:3]-[C:4](-[O:5])-[C:6]-[C:7](=[O:8])-[C:9]>>[C:6]-[C:7](=[O:8])-[C:9].[C:1]-[C:2]=[C:3]-[C:4]=[O:5]	5	5512,5516,5518,18168,18169
+[O:1]=[C:2](-[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8](-[C:9](=[O:10])-[N:11])-[C:13](-[N:12])=[O:14]>>[C:8](-[C:9](=[O:10])-[N:11])-[C:13](-[N:12])=[O:14].[O:1]=[C:2](-[O:3])-[C:4]-[N:5]=[C:6]=[O:7]	5	5622,5623,5624,5626,5627
+[c:1]:[c:2](-[C:3]-[O:4]-[c:5]):[n:6]>>[O:4]-[c:5].[c:1]:[c:2](-[C:3]-[O:7]):[n:6]	5	5649,5651,6290,10665,36757
+[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1):[c:6]>>[c:1]:1:[c:2](:[s:3]:[c:4](:[c:5]:1):[c:6])-[C:8](=[O:7])-[O:9]	5	5657,38704,39734,49490,50381
+[C:1](=[O:2])(-[C:3]-[c:4])-[O:5]>>[C:1](=[O:2])(-[C:3](-[c:4])-[C:8](-[O:7]-[C:6])=[O:9])-[O:5]	5	5690,33200,43112,53351,55888
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+[n:1]:[c:10]:1:[c:3](:[n:2]):[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:[n:9]:1>>[n:1]:[c:10]:1:[c:3](:[n:2]):[c:4](:[n:7]:[c:8]:[n:9]:1)-[Cl:11].[N:5](-[c:6])-[C:13]=[O:12]	5	5993,37027,39529,52899,54977
+[O:1]=[C:2](-[N:3]-[O:4])-[c:5]:[c:6]:[n:7]>>[O:1]=[C:2](-[c:5]:[c:6]:[n:7])-[O:8].[N:3]-[O:4]	5	6007,6013,26764,35866,46861
+[C:1]-[S:2](=[O:3])(=[O:4])-[C:5]>>[C:1]-[S:2]-[C:5].[O:3]-[O:8]-[C:7](=[O:4])-[c:6]:1:[c:9]:[c:11](-[Cl:10]):[c:12]:[c:13]:[c:14]:1	5	6075,6563,7340,36609,36687
+[c:1]-[O:2]-[C:3](-[F:4])-[F:5]>>[c:1]-[O:2].[C:3](-[F:4])(-[F:5])-[Cl:6]	5	6107,26406,33315,40055,40056
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+[c:1]:[c:3](:[c:2])-[Cl:4]>>[c:1]:[c:3]:[c:2].[Cl:4]-[Cl:5]	5	6132,35152,35153,35155,35156
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+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1.[C:6](=[O:7])(-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])-[O:20]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]	5	6335,20913,20927,21172,21200
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+[c:1]:[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1:[c:7]>>[c:1]:[c:2](-[C:3]):[c:6](-[N:5]):[c:7].[N:4](=[O:8])-[O:9]	5	6708,34433,36816,42467,47206
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+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]):[c:7]:1:[c:6]>>[C:1]-1(-[C:2](-[N:3]-[c:4](:[c:5]):[c:7]-1:[c:6])=[O:8])=[O:9]	5	6808,27711,27771,49866,49867
+[c:1]-[C:2]-[C:3](=[O:4])-[N:5]>>[c:1]-[C:2](-[C:3](=[O:4])-[N:5])=[O:6]	5	6853,27057,41628,49975,50112
+[c:1]:[c:5](:[c:4](:[c:2]):[n:3])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[c:1]:[c:5](:[c:4](:[c:2]):[n:3])-[O:11]-[S:9](=[O:10])(-[C:12](-[F:13])(-[F:14])-[F:15])=[O:16]	5	7025,7800,13212,15018,19630
+[c:1]:[c:2](-[N+:3](=[O:5])-[O-:6]):[c:4]>>[c:1]:[c:2]:[c:4].[N+:3](=[O:5])(-[O-:6])-[C:7]	5	7068,16098,47782,47785,47787
+[C:1]-[C:2](-[O:3])-[C:4]=[C:5]-[C:6]>>[C:1]-[C:2](=[O:3])-[C:4]=[C:5]-[C:6]	5	7083,24690,43801,52217,52218
+[c:1]-[C:2](-[C:3])-[C:4]=[O:5]>>[c:1]-[C:2]-[C:4]=[O:5].[C:3]-[I:6]	5	7108,7109,31671,31697,31698
+[c:1]-[n:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:1>>[C:3]-1(-[C:4]-[C:5]-[C:6](-[O:9]-1)-[O:10]-[C:11])-[O:8]-[C:7].[c:1]-[N:2]	5	7177,7178,7180,7181,7182
+[C:1]-[N:2](-[C:3]-[C:4](=[O:5])-[N:6])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[C:7](=[O:8])(-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13])-[O:21]-[C:19](-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])=[O:20].[C:1]-[N:2]-[C:3]-[C:4](=[O:5])-[N:6]	5	7277,13143,13149,16341,20995
+[N:1](-[C:2])-[C:3]>>[N:1](-[C:2])(-[C:3])-[C:6]-[C:5]=[C:4]	5	7281,29599,39550,54062,55611
+[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](-[N:7](-[C:8])-[C:9]):[n:10]:1):[s:5]>>[N:7](-[C:8])-[C:9].[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](:[n:10]:1)-[Cl:11]):[s:5]	5	7303,7308,9674,14860,14861
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+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[C:3](-[N:4](-[C:7])-[C:8])=[O:9].[c:1]:[c:2](:[c:5])-[Br:6]	5	7383,11896,18545,32082,32087
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+[c:1]:1:[n:2]:[c:3](-[N:4](-[C:5])-[C:6]):[c:7]:2:[c:8]:[n:9]:[n:10]:[c:11]:2:[n:12]:1>>[N:4](-[C:5])-[C:6].[c:1]:1:[n:2]:[c:3](:[c:7]:2:[c:8]:[n:9]:[n:10]:[c:11]:2:[n:12]:1)-[Cl:13]	5	7793,9764,11600,16208,38475
+[n:1]:[c:8]:[c:7]:[c:3](:[c:2])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[n:1]:[c:8]:[c:7]:[c:3](:[c:2])-[Br:9]	5	7795,12722,15030,15563,15671
+[N:1](-[C:2](-[C:3])-[C:4])(-[C:6]=[O:5])-[C:7]=[O:8]>>[C:2](-[C:3])(-[C:4])-[O:9].[N:1](-[C:6]=[O:5])-[C:7]=[O:8]	5	7836,20183,20402,23754,49132
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[Cl:5].[N:3]	5	7975,40750,40804,40946,40976
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+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]):[c:8]>>[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	5	8026,23009,37993,45412,46436
+[c:1](:[c:2](-[Br:3]):[c:4]:[n:5]):[n:6]>>[Br:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1](:[c:2]:[c:4]:[n:5]):[n:6]	5	8105,8308,8402,8604,8754
+[N:1]-[C:2]-[C:4](-[N:3])=[O:5]>>[N:1](-[C:2]-[C:4](-[N:3])=[O:5])=[N+:7]=[N-:6]	5	8820,17832,30762,47846,56167
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8](:[c:9]):[o:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8](:[c:9]):[o:10])-[O:11]	5	8986,8990,10408,12401,26602
+[O:1]=[P:2](-[O:3])(-[O:4])-[C:5]-[C:6]>>[C:5](-[C:6])-[Br:7].[O:1](-[P:2](-[O:3])-[O:4])-[C:9]-[C:8]	5	8997,18762,43454,43459,43467
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+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-[C:10]>>[C:6](=[O:7])(-[C:9]-[C:10])-[O:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5].[N:8](=[N+:13]=[N-:12])-[P:14](=[O:15])(-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2	5	9313,17927,17929,17973,17977
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2:[c:9](:[c:10]:1)-[Cl:11]>>[C:1]-[C:2]-1=[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:10]-1)=[O:15].[Cl:11]-[P:12](-[Cl:13])(-[Cl:14])=[O:16]	5	9320,18739,29864,34447,35457
+[c:1]:[c:2](:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]):[c:9]>>[c:1]:[c:2](:[n:3]:[c:4](:[c:8])-[Cl:19]):[c:9].[c:5](:[c:6])(:[c:7])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	5	9350,9470,20277,28385,29236
+[c:1]:1:[n:2]:[n:3](-[C:4]-[C:5]):[c:6]:[c:7]:1>>[C:4](-[C:5])-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11].[c:1]:1:[n:2]:[n:3]:[c:6]:[c:7]:1	5	9461,22169,23439,40629,45228
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](-[N:6]-[C:7]):[c:8]:[c:9]:[n:10]:[c:11]:1:2>>[N:6]-[C:7].[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](:[c:8]:[c:9]:[n:10]:[c:11]:1:2)-[Cl:12]	5	9485,11042,12477,15444,15459
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+[N:1]-[C:2](=[O:3])-[C:4](-[c:5](:[c:6]):[c:7])=[C:8]>>[N:1]-[C:2](=[O:3])-[C:4](=[C:8])-[Br:9].[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12]	5	9904,22192,27065,30270,30271
+[c:1]-[C:2]-[N:3]-[C:4]=[O:5]>>[c:1]-[C:2](-[N:3]-[C:4]=[O:5])=[O:6]	5	9908,27030,48149,48631,48795
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+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])(-[C:6])-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1.[O:1]-[C:2](=[O:3])-[Cl:7]	5	10025,29575,30804,45407,52359
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+[c:1]:1:[n:2]:[c:3]:[c:4]:2-[N:5]-[C:6](=[O:7])-[N:8](-[C:9])-[c:10]:2:[n:11]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[O:7]-[C:12]):[n:8](-[C:9]):[c:10]:2:[n:11]:1	5	10261,12897,13381,14125,56904
+[c:1]-[O:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[F:8].[c:1]-[O:2]	5	10303,11318,11880,50493,55060
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+[C:1]-[C:2](-[N:3]-[C:4])-[c:5]>>[C:1]-[C:2](-[c:5])=[O:6].[N:3]-[C:4]	5	10360,12820,15822,38677,38773
+[n:1]:[c:2]:[c:3](-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]):[c:9]>>[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:19].[n:1]:[c:2]:[c:3](:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	5	10414,16338,27139,28500,28504
+[N:1]-[N:2]-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]>>[N:1]-[N:2].[C:3]-[C:4](-[C:5])(-[C:6])-[O:7]-[C:8](=[O:9])-[O:17]-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16]	5	10690,20901,21167,21173,21299
+[c:1]:1:[c:2]:[n:3]:[c:4](:[n:5]):[c:6]:[c:7]:1-[N:8](-[C:9])-[C:10]>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:5]):[c:6]:[c:7]:1-[F:11].[N:8](-[C:9])-[C:10]	5	10695,11688,23624,23625,23626
+[c:1]:[c:2]-1:[c:3]-[C:4]-[C:5](=[O:6])-[N:7]-1-[C:8]>>[N:7]-[C:8].[c:1]:[c:2](:[c:3]-[C:4]-[C:5](=[O:6])-[O:9])-[F:10]	5	10842,11034,11944,26740,29974
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[Cl:7]):[c:5].[N:4]	5	11284,34533,40811,40816,40921
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1>>[c:1]:1:[n:2]:[n:3](:[c:4]:[c:5]:1)-[C:12]-[c:11]:2:[c:10]:[c:9]:[c:8](-[O:7]-[C:6]):[c:14]:[c:13]:2	5	11406,54345,54616,55186,57318
+[c:1]:[c:2](-[N:3]-1-[C:4]=[C:5]-[C:6](-[O:7])=[C:8]-[C:9]-1=[O:10]):[c:11]>>[c:1]:[c:2](:[c:11])-[Br:12].[n:3]:1:[c:4]:[c:5]:[c:6](-[O:7]):[c:8]:[c:9]:1-[O:10]	5	11453,19806,34623,51094,51098
+[C:1]-[O:2]-[C:3]-[C:4]-[C:5](=[O:6])-[O:7]>>[C:1]-[O:2].[C:3]=[C:4]-[C:5](=[O:6])-[O:7]	5	11547,13309,15845,18085,18089
+[c:1](:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[c:7]:[n:8]):[n:9]>>[C:4](=[O:5])(-[C:6])-[Cl:10].[c:1](:[c:2](-[N:3]):[c:7]:[n:8]):[n:9]	5	11706,15414,17689,26580,42788
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:1]:[c:2](:[c:7])-[I:8].[c:3](:[c:4])(:[c:6]:[n:5])-[B:10](-[O:9])-[O:11]	5	11726,26640,28563,34107,45652
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[c:6](:[c:7]):[n:8]):[n:9]:[c:10]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:9]:[c:10]:1)-[Cl:11].[N:5]-[c:6](:[c:7]):[n:8]	5	11857,11863,14534,34037,40354
+[O:1]=[C:2](-[N:3]-[C:4])-[c:5](:[c:6]):[o:7]>>[N:3]-[C:4].[O:1]=[C:2](-[c:5](:[c:6]):[o:7])-[O:8]	5	11872,12443,44196,44197,48962
+[c:1]:[c:2]-1:[c:3]-[N:4]-[C:5](-[C:6]-[C:7]-1(-[C:8])-[C:9])=[O:10]>>[c:1]:[c:2]:[c:3]-[N:4]-[C:5](-[C:6]=[C:7](-[C:8])-[C:9])=[O:10]	5	11903,26248,26249,26255,54962
+[c:1]-[N:2]-[C:4](-[C:3]#[N:7])(-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])=[O:8].[C:3]#[N:7].[c:1]-[N:2]	5	11915,13335,13350,41114,41117
+[N:1](-[C:2](=[O:3])-[C:4])-[c:6](:[c:5]:[n:9]):[c:7]:[n:8]>>[N+:1](-[c:6](:[c:5]:[n:9]):[c:7]:[n:8])(=[O:13])-[O-:14].[C:2](=[O:3])(-[C:4])-[O:12]-[C:11]-[C:10]	5	11947,12193,12194,12195,37146
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]:[c:7]:[n:8]>>[c:1]:[c:2](:[c:6]:[c:7]:[n:8])-[Br:9].[B:3](-[O:4])(-[O:5])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	5	12002,28007,28126,28135,28178
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[c:7]:1):[c:8]>>[c:3]:1(:[n:4]:[n:5]:[c:6]:[c:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	5	12017,25789,38460,46501,51891
+[c:1]:[c:2](-[C:3]-[C:4](-[C:5])=[C:6]):[c:7]-[O:8]>>[c:1]:[c:2]:[c:7]-[O:8]-[C:3]-[C:4](-[C:5])=[C:6]	5	12077,16508,25501,43326,53493
+[C:1]-1-[C:2](-[O:3]-1)(-[C:4])-[C:5]>>[C:2](=[O:3])(-[C:4])-[C:5].[C:1]-[S:7](-[C:6])=[O:8]	5	12287,13354,13359,13363,33611
+[c:1]:[c:2](-[N:3]-[C:4]):[c:5]>>[N:3]-[C:4].[c:1]:[c:2](:[c:5])-[O:9]-[S:7](=[O:6])(=[O:8])-[C:10](-[F:11])(-[F:12])-[F:13]	5	12536,17499,24992,27076,30988
+[c:1]:[c:2](-[c:3]:1:[c:4]:[o:5]:[c:6]:[c:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3]:1(:[c:4]:[o:5]:[c:6]:[c:7]:1)-[B:11](-[O:10])-[O:12]	5	12572,39579,39959,46274,46750
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	5	12790,17901,23776,28505,28506
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[N:6]>>[S:3](=[O:4])(=[O:5])(-[N:6])-[Cl:7].[c:1]-[N:2]	5	12855,26586,44102,45444,45649
+[O:1]=[C:2](-[N:3]-[c:4])-[N:5]-[C:6]-[C:7](=[O:8])-[N:9]>>[N:5]-[C:6]-[C:7](=[O:8])-[N:9].[O:1]=[C:2]=[N:3]-[c:4]	5	13204,17509,17833,21589,33565
+[C:1]-[N:2](-[c:3])-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1]-[N:2]-[c:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:8]	5	13272,32261,36007,45090,45334
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[n:7]:[n:6]):[c:8]>>[c:4](:[c:5])(:[n:7]:[n:6])-[Cl:18].[n:1]:[c:2]:[c:3](:[c:8])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	5	13585,28455,28974,29272,29288
+[O:1]-[C:2](-[C:3])-[C:4](-[F:5])(-[F:6])-[F:7]>>[O:1]=[C:2]-[C:3].[C:4](-[F:5])(-[F:6])(-[F:7])-[Si:9](-[C:8])(-[C:10])-[C:11]	5	13593,38335,38337,38342,38346
+[c:1]:1:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]:[c:8](:[n:7]):[n:9]:[c:10]:1>>[N:3](-[C:4])-[C:5].[c:1]:1:[c:2](:[c:6]:[c:8](:[n:7]):[n:9]:[c:10]:1)-[Cl:11]	5	13767,13768,23621,23649,34069
+[C:1]-[C:2](=[C:3](-[N:4](-[C:5])-[C:6])-[c:7])-[C:9](-[N:8])=[O:10]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[C:3](-[c:7])-[Cl:11])-[C:9](-[N:8])=[O:10]	5	13769,15049,15068,15069,15073
+[c:1]:[c:2]:1:[c:3](:[n:4]:[c:5](-[c:6]:[c:8]:[n:7]):[n:9]:1):[c:10]>>[c:1]:[c:2](:[c:3](-[N:4]):[c:10])-[N:9].[C:5](-[c:6]:[c:8]:[n:7])=[O:11]	5	13954,17530,22958,32351,42625
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:9]:1:[n:8]>>[c:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:9]:1:[n:8])-[Br:10]	5	13965,24360,45291,52846,54855
+[c:1](:[c:2]-[C:3]=[O:5]):[n:4]>>[c:1](:[c:2]-[C:3](=[O:5])-[O:8]-[C:7]-[C:6]):[n:4]	5	14169,30854,46257,49730,55881
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:11]:[c:6](:[n:5]:1)-[C:7](-[F:8])(-[F:9])-[F:10]>>[c:1]:[c:4](:[c:3](:[c:2])-[N:11])-[N:5].[C:6](-[C:7](-[F:8])(-[F:9])-[F:10])(=[O:12])-[O:13]	5	14513,15145,26514,37600,37602
+[c:1]:[c:2](-[C:3](-[O:4])-[c:5]):[c:6]>>[C:3](=[O:4])-[c:5].[c:1]:[c:2]:[c:6]	5	14603,17548,48473,49566,53087
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]):[c:7]>>[c:1]:[c:4](:[c:3]:[n:2])-[I:17].[c:5](:[c:6])(:[c:7])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16]	5	14608,28438,28472,29118,29192
+[O:1]=[C:2](-[O:3]-[C:4])-[C:5]>>[O:3]-[C:4].[O:1]-[C:2](-[C:5])=[O:6]	5	14648,16359,32766,32994,33016
+[C:1]-[N:2](-[C:3]-[C:4]-[C:5]=[O:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](-[C:4]-[C:5]=[O:6])-[Cl:8]	5	14762,15176,32613,51929,53733
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:9]-[S:7](=[O:6])(=[O:8])-[C:10](-[F:11])(-[F:12])-[F:13]	5	14891,14949,15600,38212,38217
+[C:1]-[O:2]-[C:3]-1-[C:4]-[C:5]-[C:6]-[C:7]-[O:8]-1>>[C:1]-[O:2].[C:3]-1-[C:4]-[C:5]-[C:6]=[C:7]-[O:8]-1	5	15283,25101,26044,36797,39701
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5])-[C:6]):[n:7]:[c:8]:1>>[C:4](-[C:5])(-[C:6])-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12].[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1	5	15330,15502,19205,22356,34078
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]-[O:6]>>[C:4]-1-[C:5]-[O:6]-1.[N-:1]=[N+:2]=[N-:3]	5	15344,47918,47949,48051,48059
+[N-:1]=[C:2]=[C:3]-1-[N+:4](-[C:5](-[C:6])=[C:7]-[C:8]=[C:9]-1)=[O:14]>>[c:3]:1:[n+:4](:[c:5](-[C:6]):[c:7]:[c:8]:[c:9]:1)-[O-:14].[N:1]#[C:2]-[Si:11](-[C:10])(-[C:12])-[C:13]	5	15389,18275,33853,33859,33872
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[C:7]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:9]-[C:8]	5	15462,15465,37863,41767,41803
+[N:1]-[N:2]>>[N:1]-[N:2]=[O:3]	5	15824,28815,44839,45615,53914
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:7]>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1.[C:7]-[I:8]	5	15924,19545,31385,31628,31702
+[c:1]:1:[n:2]:[c:3](:[n:4]:[c:5]:[c:6]:1)-[I:7]>>[c:1]:1:[n:2]:[c:3](:[n:4]:[c:5]:[c:6]:1)-[N:10].[I:7]-[C:9]-[I:8]	5	15967,40490,40492,40493,40494
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1:[c:7]>>[c:1]:[c:2](-[N+:3](=[O:10])-[O-:11]):[c:6]:[c:7].[C:4](=[C:5])-[Mg:9]-[Br:8]	5	16278,16554,16562,16564,16575
+[c:1](:[n:2]:[c:3](:[c:4])-[Cl:6]):[c:5]>>[c:1](:[n:2]:[c:3](:[c:4])-[N:7]):[c:5].[Cl:6]	5	16303,34768,34770,34798,34799
+[C:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:8]=[O:7]>>[C:1]-[C:2]-[I:6].[N:3](-[C:4]=[O:5])-[C:8]=[O:7]	5	16390,43529,43567,50063,55476
+[N:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:9].[N:1]-[N:2]	5	16431,31098,39531,42276,42277
+[c:1]-[O:2]-[C:3](-[C:4])(-[C:5])-[C:6]>>[c:1]-[O:2].[C:3](=[C:4])(-[C:5])-[C:6]	5	16510,26236,34291,51003,51272
+[O:1]-[C:2](=[O:3])-[C:4](-[Cl:5])-[C:6]-[c:7](:[c:8]):[c:9]>>[O:1]-[C:2](=[O:3])-[C:4]=[C:6].[Cl:5].[c:7](:[c:8])(:[c:9])-[N:10]	5	16534,17628,30595,30596,30597
+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]):[c:7]:1:[c:6]>>[C:1](=[C:2])-[Mg:9]-[Br:8].[N+:3](-[c:4](:[c:5]):[c:7]:[c:6])(=[O:10])-[O-:11]	5	16556,16557,16565,16569,16570
+[C:1]-[C:2]-[c:3]:[c:4]:[n:5]>>[C:1]=[C:2]-[c:3]:[c:4]:[n:5]	5	16578,17390,22777,39786,53312
+[N:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[C:7]>>[C:7]=[O:8].[N:1]-[C:2](=[O:3])-[C:4]-[N:6]-[C:5]	5	16582,16594,16597,16621,16705
+[N:1]-[C:2](-[C:3])=[O:4]>>[C:3]-[C:9](-[O:8]-[C:6](-[C:5])=[O:7])=[O:10].[N:1]-[C:2](=[O:4])-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14]	5	16831,16833,16838,16840,16842
+[C:1]-[C:2](-[O:4]-[C:3])=[N:5]>>[C:1]-[C:2]#[N:5].[C:3]-[O:4]	5	17169,32765,33170,34058,34811
+[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](-[N:7]-[c:8]):[n:9]:1):[n:5]>>[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](:[n:9]:1)-[Cl:10]):[n:5].[N:7]-[c:8]	5	17409,42659,46106,50214,52851
+[c:1]:[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6](:[c:7]:1:[c:8])-[O:9]>>[c:1]:[c:2]:1-[N:3]=[C:4]-[N:5](-[C:6](-[c:7]:1:[c:8])=[O:9])-[C:10]-[O:17]-[C:15](-[C:12](-[C:11])(-[C:13])-[C:14])=[O:16]	5	17423,17424,17426,17572,17573
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[C:6]>>[C:5](-[C:6])=[O:7].[O:1]-[C:2](=[O:3])-[C:4]=[P:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:26]:[c:25]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	5	17562,22290,24725,53001,53004
+[C:1]-[O:2]-[c:3]>>[C:1]-[O:4].[O:2]-[c:3]	5	17574,32879,32935,33014,33072
+[C:1](-[c:2](:[c:3]):[c:4])=[O:5]>>[c:2](:[c:3])(:[c:4])-[I:9].[C:1](=[O:5])-[N:7](-[C:6])-[C:8]	5	17599,27698,32124,32174,32217
+[c:1]:[c:2](-[N:3]):[n:4]>>[c:1]:[c:2](-[N:3]-[C:6](-[C:5])=[O:7]):[n:4]	5	17673,38329,51920,54571,55982
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](=[O:6])-[N:7]-1>>[c:1]-[C:2]#[N:7].[N:3]-[O:4].[C:5](-[O:6])(=[O:8])-[O:9]	5	17721,26097,31979,46869,46871
+[C:1]-[S:2]-[C:3]-[c:4]>>[C:1]-[S:2].[C:3](-[c:4])-[Cl:5]	5	17742,38601,38966,47451,47455
+[c:1](:[n:2]:[c:3](-[N:4]-[C:25](-[O:24]-[C:21](-[C:20])(-[C:22])-[C:23])=[O:26]):[c:5]):[c:6]>>[C:20]-[C:21](-[C:22])(-[C:23])-[O:24].[c:1](:[n:2]:[c:3](:[c:5])-[C:25](=[O:26])-[O:27]):[c:6].[N:4](=[N+:29]=[N-:28])-[P:30](=[O:7])(-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2	5	17960,17966,17970,17978,17982
+[c:1]-[N:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:7].[c:1]-[N:2]	5	18574,42598,52843,54786,54866
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[c:5]:[c:6](:[n:7]):[c:8]:[c:9]:[n:10]:2):[c:11]:[n:12]:1>>[c:4]:1(:[c:5]:[c:6](:[n:7]):[c:8]:[c:9]:[n:10]:1)-[Cl:22].[n:1]:1:[c:2]:[c:3](:[c:11]:[n:12]:1)-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21]	5	18777,18791,18805,19734,28492
+[c:1]:[c:2](-[C:3](-[C:4]-[C:5])-[C:6]):[n:7]>>[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[n:7]	5	18920,18924,22419,27855,51254
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[n:10]:1>>[C:1]-[C:2](-[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[N:10])=[O:11]	5	19020,36101,37143,39770,55423
+[C:1](-[C:2]-[C:3]-[C:4])(-[C:5])=[O:6]>>[C:1](-[C:2]=[C:3]-[C:4])(-[C:5])=[O:6]	5	19386,28634,57127,57199,57287
+[c:1]:1:[c:2]:[c:3](:[n:4]):[c:6](:[n:5]):[c:7](-[N:8]-[C:9]):[n:10]:1>>[N:8]-[C:9].[c:1]:1:[c:2]:[c:3](:[n:4]):[c:6](:[n:5]):[c:7](:[n:10]:1)-[Cl:11]	5	19424,19477,22333,23050,27851
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:11]-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16].[N:5]-[c:6]	5	19572,32283,34899,34913,34914
+[C:1]-[C:8](-[N:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])=[O:9]>>[C:1]-[C:8](=[O:9])-[O:10].[N:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]	5	19902,23285,23303,23357,56115
+[C:1]-[C:2](-[N:3]-[C:4])-[C:5]=[N:6]>>[N:3]-[C:4].[C:1]-[C:2](-[C:5]=[N:6])-[Br:7]	5	20496,20502,32337,32338,41929
+[c:1]:[c:3](:[c:2])-[O:4]>>[c:1]:[c:3](:[c:2])-[Cl:5].[O:4]	5	20510,36431,42895,42896,42897
+[n:1]:[c:2]:[c:3](-[C:4]#[N:5]):[c:6]>>[n:1]:[c:2]:[c:3](:[c:6])-[Br:7].[C:4]#[N:5]	5	20585,24314,27847,39062,41156
+[C:1](-[N:2]-[N:3])=[O:4]>>[C:1](-[N:2]-[N:3]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11])=[O:4]	5	20630,20631,20634,24021,24022
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+[c:1]:1:[c:2]:[n:3](-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]):[n:11]:[c:12]:1>>[c:1]:1:[c:2]:[n:3]:[n:11]:[c:12]:1.[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:13]-[C:19](-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])=[O:20]	5	20932,20991,21029,21072,21170
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+[c:1](-[C:2]-[C:3]#[N:4]):[c:5]:[n:6]>>[c:1](-[C:2]-[Br:7]):[c:5]:[n:6].[C:3]#[N:4]	5	21426,33579,33589,41109,41159
+[c:1]:1:[c:2]:[n:3](-[S:4](=[O:5])(=[O:6])-[c:7]:[c:9]:[n:8]):[c:10]:[c:11]:1>>[c:1]:1:[c:2]:[n:3]:[c:10]:[c:11]:1.[S:4](=[O:5])(=[O:6])(-[c:7]:[c:9]:[n:8])-[Cl:12]	5	21832,31142,45509,45510,46222
+[O:1]-[c:2]>>[O:1](-[c:2])-[C:5]-[C:4]=[C:3]	5	22331,43547,49198,54438,55241
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[C:7]):[n:8]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[O:9])-[N:8]-[C:6](=[O:5])-[C:7]	5	22863,29707,29708,47821,53104
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+[c:1]:[c:2](-[C:3](=[O:4])-[O:6]):[n:5]>>[c:1]:[c:2](-[C:3]#[N:9]):[n:5].[O:6]-[C:8]-[C:7].[O:4]	5	23323,30308,30336,30385,30388
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+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[N:7]-[c:8]):[n:9]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N:9].[C:6](=[N:7]-[c:8])=[S:10]	5	23992,28839,37676,42626,50518
+[c:1]-[C:2]-[C:3]-[c:4]>>[c:1]-[C:2]#[C:3]-[c:4]	5	24226,49379,51921,53527,55992
+[c:1]:1:[c:2](-[C:3]-[Cl:7]):[c:4]:[n:5]:[o:6]:1>>[c:1]:1:[c:2](-[C:3]-[O:11]):[c:4]:[n:5]:[o:6]:1.[Cl:7]-[S:9](=[O:8])-[Cl:10]	5	24389,35544,35546,35712,35746
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+[c:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]):[c:9]>>[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7].[c:1]:[c:2](:[c:9])-[B:11](-[O:10])-[O:12]	5	25132,48880,51420,51442,56685
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+[n:1]:[c:2]:[c:3]-[O:4]>>[n:1]:[c:2]:[c:3]-[O:4]-[Si:9](-[C:6](-[C:5])(-[C:7])-[C:8])(-[C:10])-[C:11]	5	25198,25203,25295,25296,25297
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+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[n:6]:[n:7]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N:7].[N:6](=[O:8])-[O:9]	5	25610,42446,47217,47218,47240
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1):[c:8]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[n:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	5	25978,28674,29067,29092,29133
+[n:1]:[c:2]:[c:3]-[C:4]-[C:5]#[N:6]>>[n:1]:[c:2]:[c:3]-[C:4]-[Cl:7].[C:5]#[N:6]	5	26727,41049,41070,41101,41149
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+[c:1]:[c:2](-[Br:3]):[c:4]>>[Br:3]-[N:14]-1-[C:6](-[C:5])(-[C:7])-[C:8](=[O:9])-[N:10](-[Br:11])-[C:12]-1=[O:13].[c:1]:[c:2]:[c:4]	5	26816,28554,28555,28556,28557
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[B:3](-[O:4]-[C:11](-[C:12])-[C:13])(-[O:5]-[C:14](-[C:15])-[C:16])-[O:10]-[C:8](-[C:7])-[C:9].[c:1]:[c:2](:[c:6])-[I:17]	5	27181,27191,27195,27211,27214
+[C:1](-[C:2])(-[c:3])=[O:4]>>[C:1](-[C:2])-[c:3].[O:4]	5	27329,28766,36226,42910,42935
+[c:1]:1:[n:2]:[c:3](-[S:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[S:4]-[C:5].[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	5	27451,38457,47462,47466,51539
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[S:7]):[n:8]>>[C:4](=[O:5])=[N:6]-[S:7].[n:1]:[c:2](-[N:3]):[n:8]	5	27474,43307,45626,45897,46211
+[n:1]:1:[c:2]:[c:3]:[c:4]:[c:6]:1:[n:5]>>[n:1]:1(:[c:2]:[c:3]:[c:4]:[c:6]:1:[n:5])-[Si:10](-[C:8](-[C:7])-[C:9])(-[C:11](-[C:12])-[C:13])-[C:14](-[C:15])-[C:16]	5	27556,27557,27559,27562,27563
+[c:1]:1:[c:2]:[c:3](-[N:4]):[c:5]:[c:6]:[n:7]:1>>[c:1]:1:[c:2]:[c:3](:[c:5]:[c:6]:[n:7]:1)-[Cl:8].[N:4]	5	27801,38925,40772,40788,40973
+[c:1](-[C:2](=[O:3])-[O:6]):[c:4]:[n:5]>>[c:1](-[C:2]=[O:3]):[c:4]:[n:5].[O:6]	5	27818,42891,42892,42973,42974
+[n:1]:[c:2](-[C:3](-[N:4]-[N:5])=[O:6]):[c:7]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:9]-[C:8]):[c:7].[N:4]-[N:5]	5	27890,38610,39765,41324,42205
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]):[n:7]:1-[c:8]>>[C:1]-[C:2](-[C:3]-[C:4]-[C:5](-[C:6])=[O:10])=[O:9].[N:7]-[c:8]	5	27912,27914,27915,27916,27918
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:19]	5	28317,29037,29146,29175,29176
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7](:[c:8]:[n:9]):[n:10]:1>>[c:4](:[c:5])(:[c:6])-[B:19]-1-[O:18]-[C:16](-[C:11](-[C:12])(-[C:13])-[O:20]-1)(-[C:15])-[C:17].[c:1]:1:[n:2]:[c:3](:[c:7](:[c:8]:[n:9]):[n:10]:1)-[Br:14]	5	28434,29002,29110,29111,29119
+[c:1]:1:[c:2](-[c:3]:2:[c:4]:[c:5]:[n:6]:[n:7]:2):[c:8]:[c:9]:[s:10]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[n:7]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20].[c:1]:1:[c:2](:[c:8]:[c:9]:[s:10]:1)-[Br:11]	5	28533,28534,28535,28536,29297
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+[C:1](-[c:2](:[c:3]):[s:4])-[Cl:5]>>[C:1](-[c:2](:[c:3]):[s:4])-[O:10].[Cl:5]-[S:7](-[C:6])(=[O:8])=[O:9]	5	29321,45046,45047,45048,45050
+[c:1]:1:[c:2](-[N+:3](=[O:7])-[O-:8]):[c:4]:[n:5]:[n:6]:1>>[c:1]:1:[c:2]:[c:4]:[n:5]:[n:6]:1.[N+:3](=[O:7])(-[O-:8])-[O:9]	5	29939,36902,45245,47626,47767
+[C:1]-[C:2](=[C:3]-[c:4])-[N+:5]>>[C:1]-[C:2]-[N+:5].[C:3](-[c:4])=[O:6]	5	30022,31295,31296,31297,50897
+[C:1](=[O:2])-[O:5]-[C:4]-[C:3]>>[C:1](=[O:2])-[O:5].[C:3]-[C:4]-[I:6]	5	30023,30036,30084,30085,30123
+[n:1]:[c:5]:[c:3](:[n:2])-[C:4]-[Cl:6]>>[n:1]:[c:5]:[c:3](:[n:2])-[C:4]-[O:9].[Cl:6]-[C:8]-[Cl:7]	5	30032,35076,35087,35096,35135
+[C:1]-[N:5](-[C:3](-[C:2])=[O:4])-[C:6]-[c:7]>>[C:1]-[N:5].[C:2]-[C:3](=[O:4])-[O:10]-[C:9]-[C:8].[C:6](-[c:7])=[O:11]	5	30562,38095,38178,43364,48463
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5]-[C:6])-[O:7]):[n:8]:[c:9]:1>>[c:1]:1:[c:2]:[n:3]:[n:8]:[c:9]:1.[C:4](=[C:5]-[C:6])-[O:7]	5	31113,40149,43733,43737,43774
+[s:1]:[c:2]:[c:3]-[C:4]-[O:5]-[c:6]>>[s:1]:[c:2]:[c:3]-[C:4]-[Br:7].[O:5]-[c:6]	5	31131,31132,31133,31134,31135
+[C:1]-[C:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[C:2]-[Mg:7]-[Br:6].[C:3](=[O:4])(-[c:5])-[N:10](-[O:9]-[C:8])-[C:11]	5	31267,31277,31278,31282,39271
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[c:1]-[C:2](-[N:3])=[S:7].[C:4](-[c:5])(-[C:6]-[Br:9])=[O:8]	5	31339,47434,47436,51992,53894
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[C:6]-[C:7]=[C:8]-1-[C:9]>>[C:1]-[I:10].[N:2]-1-[C:3](=[O:4])-[N:5]-[C:6]-[C:7]=[C:8]-1-[C:9]	5	31406,31407,31408,31409,31410
+[c:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]>>[C:3]-[I:7].[c:1]-[N:2]-[C:4](=[O:5])-[O:6]	5	31573,31574,31599,31630,31715
+[c:1]-[C:2]=[C:3]-[N:4]>>[C:3](-[N:4])=[O:5].[c:1]-[C:2]	5	32081,32112,32113,32123,32125
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+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]#[N:7].[O:3]-[C:5]-[C:6]-[O:4]	5	33300,46966,46975,46983,46984
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+[c:1]-[C:2](-[N:3])=[N:4]-[c:5]>>[c:1]-[C:2]#[N:3].[N:4]-[c:5]	5	33515,35874,41338,45290,50679
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:[c:6](-[c:7]):[c:8]:2):[c:9]:[c:10]:1>>[c:1]:1:[n:2]:[n:3]:[c:4](-[N:5]):[c:9]:[c:10]:1.[C:6](-[c:7])(-[C:8]-[Br:12])=[O:11]	5	33602,34312,38499,48816,51218
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+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6]:[o:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3]:1(:[c:4]:[c:5]:[c:6]:[o:7]:1)-[B:11](-[O:10])-[O:12]	5	34415,46051,46782,46783,46785
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+[c:1]-[N:2]-[C:3](=[O:4])-[O:7]-[C:5]=[O:6]>>[C:3](=[O:4])(-[O:16]-[C:13](-[Cl:12])(-[Cl:14])-[Cl:15])-[O:17]-[C:8](-[Cl:9])(-[Cl:10])-[Cl:11].[c:1]-[N:2].[C:5](=[O:6])-[O:7]	5	34889,34892,34894,34900,34906
+[O:1]=[C:2](-[C:3]=[C:4])-[Cl:5]>>[Cl:5]-[C:8]-[Cl:7].[O:1]=[C:2](-[C:3]=[C:4])-[O:6]	5	35080,35081,35082,35083,35112
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]=[N+:7]=[N-:8]):[c:9]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[Cl:10].[N-:6]=[N+:7]=[N-:8]	5	35944,36019,44652,47933,47941
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-1(-[c:6])-[C:7]-[C:8](-[c:9])=[N:10]-[O:11]-1>>[C:8](-[c:9])=[N:10]-[O:11].[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[C:7]	5	36246,37645,37647,37648,37650
+[O:1]=[S:2](-[c:3]:[c:4]:[n:5])-[c:6]>>[O:1]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1.[S:2](-[c:3]:[c:4]:[n:5])-[c:6]	5	36572,36638,36639,36640,36697
+[c:1]-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:8].[c:1]-[N:2]	5	36904,39517,48709,48935,51479
+[O:1]=[C:2]-1-[N:3](-[c:4])-[C:5]-[C:6]-[N:7]-1>>[O:1]=[C:2](-[N:3]-[c:4])-[N:7]-[C:6]-[C:5]-[Cl:8]	5	37064,51017,53807,54950,54964
+[N:1](-[C:2])-[c:3]>>[N:1](-[C:2])(-[c:3])-[C:5](=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]	5	37205,37214,37215,37471,37508
+[c:1]:[c:3]:[c:2]>>[c:1]:[c:3](:[c:2])-[I:4]	5	38024,38819,39665,50147,51648
+[c:1](:[c:2]:[n:3]):[c:5](:[c:4])-[c:6](:[c:7]):[c:8]>>[c:1](:[c:2]:[n:3]):[c:5]:[c:4].[c:6](:[c:7])(:[c:8])-[N:9]	5	38799,38801,45693,45695,45953
+[N:1]-[C:2]-[C:3]=[C:4]>>[N:1]-1(-[C:2]-[C:3]=[C:4])-[C:6](=[O:5])-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14]	5	39243,49922,49928,51360,55835
+[c:1]:[c:3](:[n:2])-[N:4]-1-[C:5](=[O:6])-[c:7]:[c:8]-[C:9]-1=[O:10]>>[c:1]:[c:3](:[n:2])-[N:4].[C:5]-1(=[O:6])-[c:7]:[c:8]-[C:9](=[O:10])-[O:11]-1	5	39705,42759,42813,44536,44543
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](=[O:3])-[O:5]-[C:4]	5	40069,49250,50056,50904,50950
+[N:1]#[C:2]-[c:3]>>[N:1].[C:2](-[c:3])=[O:4]	5	40666,40667,40929,40933,40958
+[c:1]-[N:2]-[C:6](-[c:5]:[c:4]-[N:3])=[O:7]>>[c:1]-[N:2].[N:3]-1-[c:4]:[c:5]-[C:6](=[O:7])-[O:10]-[C:9]-1=[O:8]	5	41697,42708,44511,45304,51312
+[O:1]=[C:2]-1-[C:3](-[C:4](=[O:5])-[c:6])-[C:7]=[N:8]-[N:9]-1>>[O:1]=[C:2]-1-[C:3]-[C:7]=[N:8]-[N:9]-1.[C:4](=[O:5])(-[c:6])-[O:10]	5	41708,41709,41711,41713,41714
+[S:1]=[C:2]-1-[N:3]-[N:4]=[C:5](-[c:6])-[O:7]-1>>[N:3]-[N:4]-[C:5](-[c:6])=[O:7].[S:1]=[C:2]=[S:8]	5	42359,45397,47440,47447,47448
+[c:1]-[N:2]-[C:3]-1=[C:4](-[C:5](=[O:6])-[C:7]-1=[O:8])-[O:9]>>[c:1]-[N:2].[C:3]-1(=[C:4](-[C:5](=[O:6])-[C:7]-1=[O:8])-[O:9])-[O:12]-[C:11]-[C:10]	5	42409,42731,43320,43321,43322
+[O:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[F:5].[O:1]	5	42922,42929,42930,42946,42971
+[c:1]-[C:2](=[C:3]-[N:5])-[C:4]=[O:6]>>[C:3](-[N:5])(-[O:8]-[C:7])-[O:9]-[C:10].[c:1]-[C:2]-[C:4]=[O:6]	5	43173,43175,43176,43177,43179
+[O:1]-[C:2]-[C:3]-1-[C:4]-[N:5](-[c:6])-[C:7](=[O:8])-[O:9]-1>>[O:1](-[C:2]-[C:3]-1-[C:4]-[O:9]-1)-[C:21](-[C:20]-[C:19]-[C:18])=[O:22].[N:5](-[c:6])-[C:7](=[O:8])-[O:15]-[C:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:17]:[c:16]:1	5	43685,43686,43687,43688,43689
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2]=[O:3].[O:4]-[S:6](-[N:5])(=[O:7])=[O:8]	5	44641,45784,45786,45787,45788
+[c:1]-[C:2]-1=[C:3]-[C:4]=[C:5]-[N:6]-2-[C:7]-[C:8]-[S:9](=[O:10])(=[O:11])-[N:12]=[C:13]-1-2>>[C:7](-[C:8]-[S:9](=[O:10])(=[O:11])-[Cl:15])-[Cl:14].[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:13]:1-[N:12]	5	45383,45385,45386,45387,45388
+[N:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[N:4]-[S:5].[N:1]-[C:2](=[O:3])-[O:10]-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:1	5	45415,45590,45600,46022,46139
+[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5](=[O:6])-[N:7](-[c:8](:[c:9]):[c:10])-[C:11](-[C:12])=[N:13]-1>>[c:8](:[c:9])(:[c:10])-[B:15](-[O:14])-[O:16].[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](-[O:6]):[n:7]:[c:11](-[C:12]):[n:13]:1	5	46489,46563,46631,46679,53238
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[C:8](-[N:6])=[O:7]	5	47418,52865,52880,55341,56926
+[n:1]:[c:2](-[N:3]-[C:4](=[S:5])-[N:6]-[C:7]=[O:8]):[c:9]>>[n:1]:[c:2](-[N:3]):[c:9].[C:4](=[S:5])=[N:6]-[C:7]=[O:8]	5	49770,50353,51938,51942,51945
+[N:1]-1-[C:2]-[C:3]-[C:4]-[C:5]-1=[O:7]>>[N:1]-1-[C:2](-[C:3]-[C:4]-[C:5]-1=[O:7])=[O:6]	5	51289,54044,55684,56316,56330
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[c:1]-[C:2](-[N:3]-[N:4]-[C:5](-[c:6])=[O:7])=[O:8]	5	51490,54262,54527,54528,54828
+[C:1](-[C:2](=[O:3])-[O:4])=[C:5]>>[C:1](-[C:2](=[O:3])-[O:4]-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[N+:7](=[O:6])-[O-:8]):[c:15]:[c:14]:1)=[C:5]	5	55551,55553,55554,55555,55557
+[C:1](-[C:2](-[C:3])-[Br:5])=[O:4]>>[Br:5].[C:1](-[C:2]-[C:3])=[O:4]	4	14,30,51,104
+[C:1]-[C:2](-[C:3](-[C:4])=[O:6])-[Br:5]>>[Br:5]-[Br:7].[C:1]-[C:2]-[C:3](-[C:4])=[O:6]	4	128,161,213,248
+[c:1]:1:[n:2]:[c:3](:[c:4]:[n:5]:[c:6]:1)-[Br:7]>>[Br:7]-[Br:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1	4	134,260,345,431
+[C:1](-[c:2])-[Br:3]>>[Br:3]-[Br:4].[C:1](-[c:2])-[O:5]	4	139,177,245,267
+[C:1](=[O:2])-[C:3](-[C:4])(-[C:5])-[Br:6]>>[Br:6]-[Br:7].[C:1](=[O:2])-[C:3](-[C:4])-[C:5]	4	146,195,196,428
+[c:1]:1:[c:2]:[s:3]:[c:4]:[c:5]:1-[Br:6]>>[Br:6]-[Br:7].[c:1]:1:[c:2]:[s:3]:[c:4]:[c:5]:1	4	280,442,467,468
+[c:1]:[c:2](-[C:3]-[Br:4]):[n:5]>>[Br:4]-[C:7](-[Br:6])(-[Br:8])-[Br:9].[c:1]:[c:2](-[C:3]-[O:10]):[n:5]	4	502,529,545,569
+[c:1]-[O:2]-[C:3]-[C:4]>>[C:3]-[C:4].[c:1]-[O:2]	4	581,582,27488,48284
+[c:1]:[c:2](-[C:3](-[C:4])=[O:6]):[c:5]>>[C:3](-[C:4])(=[O:6])-[Br:7].[c:1]:[c:2]:[c:5]	4	613,620,2219,2220
+[C:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-1>>[C:3](-[C:4]-[C:5]-[C:6]-[Br:8])-[Br:7].[C:1]-[N:2]	4	720,820,824,833
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6])-[C:7]>>[C:5](-[C:6])-[Br:8].[N:1]-[C:2](=[O:3])-[N:4]-[C:7]	4	851,10775,26562,30841
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:1):[c:8]>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12]	4	1034,1210,17454,51905
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[C:8](=[O:9])-[O:11]):[c:10]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:10])-[Br:13].[C:5](-[F:6])(-[F:7])(-[C:8](=[O:9])-[O:11])-[Br:12]	4	1045,36903,37114,37116
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]:[n:9]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:10].[c:1]:[c:2](:[c:8]:[n:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	4	1047,28975,29072,29217
+[c:1]-[C:2](=[O:3])-[N:4]-[N:5]>>[N:4]-[N:5].[c:1]-[C:2](=[O:3])-[Cl:6]	4	1048,12196,17852,34229
+[s:1]:[c:2]:1:[c:3]:[c:4](:[n:5]:[c:6]:[c:7]:1)-[Cl:8]>>[s:1]:[c:2]:1:[c:3]:[c:4](:[n:5]:[c:6]:[c:7]:1)-[O:13].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	4	1061,35229,35298,35440
+[C:1]#[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:6].[C:1]#[C:2]-[Si:8](-[C:7])(-[C:9])-[C:10]	4	1063,29488,33709,39068
+[c:1]:1:[c:2]:[c:3]:[c:4](-[N:5](-[C:6])-[C:7]):[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:8]:1)-[Br:9].[N:5](-[C:6])-[C:7]	4	1073,1245,12718,15728
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Br:10].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19]	4	1076,28394,28485,29252
+[c:1]:[c:2](-[Si:3](-[C:4])(-[C:5])-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[Si:3](-[C:4])(-[C:5])(-[C:6])-[Cl:9]	4	1108,27508,34122,34248
+[c:1](:[n:2]):[c:3]:[c:4](-[N+:5](=[O:7])-[O-:8]):[c:6]>>[c:1](:[n:2]):[c:3]:[c:4]:[c:6].[N+:5](=[O:7])(-[O-:8])-[O:9]	4	1132,34565,36493,36514
+[n:1]:[c:7](:[c:3](:[c:2])-[c:4](:[c:5]):[c:6]):[n:8]>>[n:1]:[c:7](:[c:3](:[c:2])-[Br:9]):[n:8].[c:4](:[c:5])(:[c:6])-[B:11](-[O:10])-[O:12]	4	1137,11352,46661,50270
+[c:1](:[n:2]):[c:4](:[c:3])-[c:5](:[c:6]):[c:7]>>[c:1](:[n:2]):[c:4](:[c:3])-[Br:9].[c:5](:[c:6])(:[c:7])-[Br:8]	4	1147,1151,45696,48187
+[C:1]=[C:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:7].[C:1]=[C:2]	4	1150,1152,1200,49698
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6]:[c:7]:[s:8]:1>>[c:4]:1:[c:5]:[c:6]:[c:7]:[s:8]:1.[C:1]-[C:2](=[O:3])-[Cl:9]	4	1165,4759,29871,43954
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1)-[B:8](-[O:7])-[O:9]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1)-[Br:10].[O:7]-[B:8](-[O:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	4	1183,28055,28168,28255
+[c:1]:[c:2](-[O:3]-[C:4]):[c:5]:[n:6]>>[c:1]:[c:2](:[c:5]:[n:6])-[Br:7].[O:3]-[C:4]	4	1194,1197,1201,33140
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:8]:1)-[Br:9].[N:5](-[C:6])-[C:7]	4	1214,6710,15005,15006
+[c:1](:[c:2](-[C:3]#[N:4]):[s:5]):[n:6]>>[c:1](:[c:2](-[C:3](-[N:4])=[O:7]):[s:5]):[n:6]	4	1252,20429,24008,54917
+[C:1]#[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]#[C:2]-[C:3]-[Br:7]	4	1296,1300,1301,1326
+[C:1]-[c:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[C:1]-[C:2]#[C:3].[C:4](-[c:5])=[N:6]-[O:7]	4	1362,1394,1404,46822
+[C:1]#[C:2]-[C:3]-[N:4]-[C:5](=[O:6])-[c:7]>>[C:5](=[O:6])(-[c:7])-[O:8].[C:1]#[C:2]-[C:3]-[N:4]	4	1374,1375,1376,1379
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8](:[c:9]):[s:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8](:[c:9]):[s:10])-[O:11]	4	1380,13987,22125,37699
+[C:1]#[C:2]-[C:3](-[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[C:1]#[C:2]-[Mg:11]-[Br:10].[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1	4	1425,1426,1427,1428
+[C:1]-[C:2]-[c:3]>>[C:1]#[C:2]-[c:3]	4	1435,5039,28550,45536
+[c:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[C:6]=[C:7]-[N:8]-[C:9]-1=[O:10]>>[N:3]-1-[C:4](=[O:5])-[C:6]=[C:7]-[N:8]-[C:9]-1=[O:10].[c:1]-[C:2]-[Br:11]	4	1481,38517,41566,51172
+[C:1]-[C:2]-1-[C:3]-[C:4](-[c:5])=[N:6]-[O:7]-1>>[C:1]-[C:2]=[C:3].[C:4](-[c:5])=[N:6]-[O:7]	4	1533,1578,33223,45272
+[C:1]-[C:2]-[N:3](-[C:4])-[c:8](:[c:5]:[n:6]):[n:7]>>[C:1]-[C:2]=[O:9].[N:3](-[C:4])-[c:8](:[c:5]:[n:6]):[n:7]	4	1547,5587,5590,5591
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5])-[C:6]-[C:7]>>[C:6](-[C:7])-[Br:8].[C:1]=[C:2]-[C:3]-[N:4]-[C:5]	4	1572,1573,2193,41983
+[C:1]-[c:2]:1:[c:3]:[n:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2](-[C:3]-[Br:12])=[O:11].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[N:10]	4	1689,1694,29855,39794
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[C:1]-[C:2](-[O:9])=[O:10].[N:3]-[c:4](:[c:5](:[c:6])-[O:8]):[c:7]	4	1714,9633,26394,51769
+[O:1]-[C:2](=[O:3])-[n:4]:1:[c:5]:[c:6]:[c:7]:[c:9]:1:[c:8]>>[O:1]-[C:2](=[O:3])-[Cl:10].[n:4]:1:[c:5]:[c:6]:[c:7]:[c:9]:1:[c:8]	4	1821,25201,30013,51339
+[O:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[O:1]-[C:2](=[O:3])-[Cl:7].[c:4](:[c:5]):[c:6]	4	1822,1827,30775,30790
+[N:1]-[C:8](-[C:7]-[N:3](-[C:2])-[C:4](=[O:5])-[O:6])=[O:9]>>[C:4](=[O:5])(-[O:6])-[Cl:10].[N:1]-[C:8](-[C:7]-[N:3]-[C:2])=[O:9]	4	1834,1851,5473,23334
+[c:1](-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1):[c:8]:[n:9]>>[c:1](-[C:2](=[O:10])-[O:11]):[c:8]:[n:9].[N:3]=[C:4](-[c:5])-[N:6]-[O:7]	4	1927,27318,41491,48338
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[N:6]-[C:7](-[C:8])=[O:9]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5]-[N:6]-[C:7](-[C:8])=[O:9]	4	1977,1985,9014,9015
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[S:6]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5]-[S:6]	4	1990,1991,1993,1994
+[C:1]-[C:2](-[c:3](:[c:4]):[c:6]:[n:5])-[O:7]>>[C:1]-[C:2]=[O:7].[c:3](:[c:4]):[c:6]:[n:5]	4	2040,2045,26550,29802
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5]-[C:6]>>[C:1]-[N:2]=[C:3]=[S:4].[N:5]-[C:6]	4	2060,11122,13561,32551
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6]=[O:7])-[C:8]=[O:9]>>[C:5](-[C:6]=[O:7])-[Br:10].[N:1]-[C:2](=[O:3])-[N:4]-[C:8]=[O:9]	4	2064,3689,51702,53101
+[N:1]-[C:2](-[C:3]-1-[C:4]-[N:5](-[c:6])-[C:7]-[C:8]-[N:9]-1-[C:10])=[O:11]>>[N:1]-[C:2](-[C:3](-[C:4]-[Br:13])-[Br:12])=[O:11].[N:5](-[c:6])-[C:7]-[C:8]-[N:9]-[C:10]	4	2065,2066,2067,55233
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[s:5]:[c:6](-[c:7]):[n:8]:1)-[O:9]>>[C:1](=[O:2])(-[C:3](-[C:4]-[Br:10])=[O:11])-[O:9].[S:5]=[C:6](-[c:7])-[N:8]	4	2070,44252,44259,44260
+[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:7]-[c:8]>>[C:7](-[c:8])-[Br:9].[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	4	2132,36740,43616,46072
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]-[Br:4].[O-:3]-[N+:6]-1(-[C:5])-[C:7]-[C:8]-[O:9]-[C:10]-[C:11]-1	4	2156,16025,16026,16027
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:3](-[C:5])#[N:6].[C:1]-[O:2].[O:4]=[S:8](=[O:7])(-[O:9])-[O:10]	4	2204,30401,32871,32883
+[C:1](-[S:2]-[c:3])-[C:4](-[C:5])=[O:6]>>[C:1](-[C:4](-[C:5])=[O:6])-[Cl:7].[S:2]-[c:3]	4	2228,2229,2234,2241
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5](=[O:6])-[O:7])-[C:8]>>[C:1]-[C:2](=[O:3])-[Cl:9].[N:4](-[C:5](=[O:6])-[O:7])-[C:8]	4	2278,4758,12412,55142
+[C:1]-[C:2](-[N:3]-[c:4](:[c:5]:[n:6]):[n:7])=[O:8]>>[C:1]-[C:2](=[O:8])-[Cl:9].[N:3]-[c:4](:[c:5]:[n:6]):[n:7]	4	2315,10620,26584,43996
+[O:1]=[C:2]-[N:7](-[C:5](=[N:4]-[c:3])-[C:6])-[c:8]>>[C:5](-[C:6])(=[O:9])-[Cl:10].[O:1]=[C:2]-[N:7]-[c:8].[c:3]-[N:4]	4	2348,2354,2380,2396
+[c:1]-[N:2]-1-[C:3]-[C:4](-[C:5](-[O:6])=[O:10])-[C:7]-[C:8]-1=[O:9]>>[C:3]=[C:4](-[C:5](-[O:6])=[O:10])-[C:7]-[C:8](=[O:9])-[O:11].[c:1]-[N:2]	4	2463,2464,2465,2466
+[C:1](-[C:2]-[O:3]-[C:4])(-[O:5])=[O:6]>>[C:1](-[C:2]-[Cl:7])(-[O:5])=[O:6].[O:3]-[C:4]	4	2482,2483,2485,2489
+[O:1]=[C:2](-[C:3]-[O:4]-[c:5])-[O:6]>>[O:1]=[C:2](-[C:3]-[Cl:7])-[O:6].[O:4]-[c:5]	4	2486,7977,13972,30998
+[c:1]:1:[n:2]:[n:3](:[c:4](:[n:5]):[c:6]:1)-[C:9](-[C:8]-[C:7])-[O:10]>>[c:1]:1:[n:2]:[n:3]:[c:4](:[n:5]):[c:6]:1.[C:7]-[C:8]=[C:9]-[O:10]	4	2531,8028,31130,37028
+[C:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]>>[C:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]	4	2553,39751,53046,54097
+[c:1]-[C:2](-[C:3])(-[C:4])-[c:5](:[c:6]):[c:7]>>[c:1]-[C:2](-[C:3])(-[C:4])-[O:8].[c:5](:[c:6]):[c:7]	4	2877,2883,9591,53456
+[N:1]-[C:2](=[C:3]-[C:4])-[C:6](-[N:5])=[O:7]>>[N:1](-[C:2](=[C:3]-[C:4])-[C:6](-[N:5])=[O:7])-[C:9](=[O:8])-[O:10]-[C:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	4	2897,18292,21700,26701
+[c:1]:[c:2](-[S:3]-[C:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:6].[S:3](-[C:4])-[S:8]-[C:7]	4	2930,33626,33627,33630
+[C:1]=[C:2]-[c:3](:[c:4]:[n:5]):[c:6]>>[C:1]=[C:2]-[Sn:10](-[C:9]-[C:8]-[C:7]-[C:20])(-[C:11]-[C:12]-[C:13]-[C:14])-[C:15]-[C:16]-[C:17]-[C:18].[c:3](:[c:4]:[n:5])(:[c:6])-[Br:19]	4	2971,2973,2981,2994
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]=[C:6]):[c:7]>>[C:5](=[C:6])-[Sn:18](-[C:9]-[C:10]-[C:11]-[C:12])(-[C:17]-[C:16]-[C:15]-[C:14])-[C:19]-[C:20]-[C:21]-[C:8].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[Cl:13]	4	2983,2986,2993,2997
+[c:1](:[n:2]:[c:3](-[c:4](:[c:5]):[c:7]:[n:6]):[c:8]):[c:9]>>[c:4](:[c:5])(:[c:7]:[n:6])-[Sn:21](-[C:12]-[C:13]-[C:14]-[C:15])(-[C:20]-[C:19]-[C:18]-[C:17])-[C:22]-[C:23]-[C:10]-[C:11].[c:1](:[n:2]:[c:3](:[c:8])-[Br:16]):[c:9]	4	3001,3002,3003,3004
+[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1-[C:7]-[C:8]>>[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1.[C:7](-[C:8])-[O:17]-[S:14](-[c:13]:1:[c:12]:[c:11]:[c:10](-[C:9]):[c:19]:[c:18]:1)(=[O:15])=[O:16]	4	3018,9923,19092,51151
+[c:1]-[C:2](=[S:3])-[N:4]>>[c:1]-[C:2]#[N:4].[S:3]	4	3046,12917,30956,47371
+[c:1]:1:[n:2]:[s:3]:[c:4]:[c:5]:1-[C:6](-[N:7])=[O:8]>>[c:1]:1:[n:2]:[s:3]:[c:4]:[c:5]:1-[C:6]#[N:7].[O:8]-[S:10](=[O:9])(=[O:11])-[O:12]	4	3089,14379,45807,45819
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6])-[O:9]-[C:8]-[C:7]	4	3113,12682,15150,32607
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]:[c:7]:[n:8]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6]:[c:7]:[n:8])-[O:11]-[C:10]-[C:9]	4	3114,3269,12832,32369
+[c:1](:[c:2]-[C:4](=[O:5])-[N:7](-[C:6])-[C:8]):[o:3]>>[C:6]-[N:7]-[C:8].[c:1](:[c:2]-[C:4](=[O:5])-[O:9]):[o:3]	4	3130,18820,27799,49725
+[C:1]-[N:2](-[C:3])-[C:4](-[C:5](=[O:6])-[c:7])(-[C:8])-[C:9]>>[C:1]-[N:2]-[C:3].[C:4]-1(-[C:5](-[O:6]-[C:10])(-[c:7])-[O:11]-1)(-[C:8])-[C:9]	4	3145,12653,15568,15571
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[O:6]):[c:7](:[c:8]):[c:10](:[c:9]):[n:11]:[c:12]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:15]-[C:14]-[C:13])=[C:12]-[N:11]-[c:10](:[c:7]:[c:8]):[c:9]	4	3160,3163,5895,15938
+[C:1]-[C:2]-[C:3](-[C:4](=[O:5])-[O:6])-[C:7](=[O:8])-[O:9]>>[C:3](-[C:4](=[O:5])-[O:6])-[C:7](=[O:8])-[O:9].[C:1]-[C:2]-[Br:10]	4	3169,3170,3174,3196
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]=[C:2]-[C:3]-[Br:7]	4	3203,3602,3627,54725
+[c:1](:[n:2]:[c:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1):[c:9]):[c:10]>>[c:1](:[n:2]:[c:3](:[c:9])-[Br:11]):[c:10].[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20]	4	3216,28527,29258,29262
+[c:1]:1:[c:2]:[n:3](-[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2):[c:9](:[c:10]):[c:11]:1>>[c:1]:1:[c:2]:[n:3]:[c:9](:[c:10]):[c:11]:1.[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[Br:12]	4	3264,3865,36480,48147
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1>>[c:1]:1:[c:2](:[n:3]:[c:4]:[c:5]:1)-[Cl:6]	4	3318,17838,19780,55882
+[C:1]-[C:2](=[O:3])-[c:4](:[n:5]):[c:6]>>[C:1]=[C:2](-[O:3]-[C:8]-[C:7])-[c:4](:[n:5]):[c:6]	4	3354,10800,27902,51154
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[n:5]:[c:6]:[n:7]:[c:8]:2-[O:10]):[s:9]:1>>[c:1]:1:[c:2]:[c:3](:[c:4](-[N:5]):[s:9]:1)-[C:8](=[O:10])-[O:13]-[C:12]-[C:11].[C:6](-[N:7])=[O:14]	4	3364,15358,16108,39854
+[c:1](-[C:2](-[N:3])=[O:4]):[c:5]:[n:6]>>[c:1](-[C:2]#[N:3]):[c:5]:[n:6].[O:4]-[S:8](=[O:7])(=[O:9])-[O:10]	4	3389,15165,34664,45793
+[c:1]:[c:2](:[c:3])-[N:4]=[N+:6]=[N-:5]>>[c:1]:[c:2](:[c:3])-[F:7].[N-:4]=[N+:6]=[N-:5]	4	3393,40074,41233,47907
+[s:1]:[c:2]:1:[c:3]:[c:4](-[N:5]):[n:6]:[c:7]:[c:8]:1>>[s:1]:[c:2]:1:[c:3]:[c:4](:[n:6]:[c:7]:[c:8]:1)-[Cl:9].[N:5]	4	3401,40858,40882,40940
+[c:1](-[C:2](-[N:3]-[N:4])=[O:5]):[c:6]:[n:7]>>[c:1](-[C:2](=[O:5])-[O:10]-[C:9]-[C:8]):[c:6]:[n:7].[N:3]-[N:4]	4	3412,13265,39851,42217
+[n:1]:1:[c:2]:[c:3]:[c:4]:[c:5]:1-[C:6](-[c:7])=[O:8]>>[n:1]:1:[c:2]:[c:3]:[c:4]:[c:5]:1.[C:6](-[c:7])(=[O:8])-[Cl:9]	4	3430,48907,51233,51235
+[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[O:13])-[C:6]>>[C:1]-[C:2](-[C:6])=[O:12].[C:3](-[C:4](=[O:5])-[O:13])-[P:7](=[O:8])(-[O:9]-[C:10]-[C:11])-[O:16]-[C:15]-[C:14]	4	3482,3485,3489,3496
+[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])-[P:10](-[O:9]-[C:8]-[C:7])(=[O:11])-[O:12]-[C:13]-[C:14].[C:1]-[C:2]=[O:15]	4	3483,3486,3499,3501
+[c:1]:1:[c:2]:2:[n:3]:[c:4]:[n:5](-[O:6]):[c:7]:2:[n:8]:[c:9]:[n:10]:1>>[c:1]:1:[c:2](-[N:3]-[C:4]=[O:11]):[c:7](-[N:5]-[O:6]):[n:8]:[c:9]:[n:10]:1	4	3510,24820,24854,43449
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[C:4](-[C:5]-[C:6](=[O:7])-[O:8])-[Br:9].[C:1]-[N:2]-[C:3]	4	3700,3701,13878,15180
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[C:7]>>[C:6](-[C:7])-[Br:8].[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1	4	3707,8969,23822,29850
+[N:1]#[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[N:6].[N:1]#[C:2]	4	3809,41011,41012,41044
+[C:1](-[C:2](=[O:3])-[O:10])-[N:4]-1-[C:5]-[c:6]:[c:7]-[C:8]-1=[O:9]>>[C:1](-[C:2](=[O:3])-[O:10])-[N:4].[C:5](-[c:6]:[c:7]-[C:8](=[O:9])-[O:12]-[C:11])-[Br:13]	4	3817,12126,26472,26632
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])-[c:13]>>[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:13].[C:6](=[O:7])(-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12])-[O:21]-[C:19](-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])=[O:20]	4	3840,16318,20969,21085
+[N:1]-[C:7](-[C:5](=[C:3](-[N:2])-[N:4])-[N:6]=[O:9])=[O:8]>>[N:1]-[C:7](-[C:5]=[C:3](-[N:2])-[N:4])=[O:8].[N:6](-[O:9])=[O:10]	4	3863,12430,16469,47198
+[C:1]-[C:2]-[Cl:3]>>[C:1]-[C:2]-[O:5].[Cl:3]-[C:7](-[Cl:4])(-[Cl:6])-[Cl:8]	4	4055,5344,29582,34862
+[c:1]:[c:2](-[S:3]-[C:4]):[c:5]>>[c:1]:[c:2]:[c:5].[S:3](-[C:4])-[S:7]-[C:6]	4	4112,4115,33624,33629
+[C:1]-[C:2](=[O:3])-[O:4]-[C:6](-[C:5])(-[C:7])-[C:8]>>[C:1]-[C:2](=[O:3])-[O:4].[C:5]-[C:6](-[C:7])(-[C:8])-[O:18]-[C:12](-[N:10](-[C:9])-[C:11])-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17]	4	4134,22116,24236,24237
+[C:1]-[C:2](-[O:3])-[C:4]-[O:5]>>[C:1]-[C:2]=[C:4].[O:3]=[C:7](-[C:6])-[C:8].[O:5]	4	4141,4226,13227,26311
+[C:1]-[C:2]-[S:4](-[C:3])(=[O:5])=[O:6]>>[C:1]-[C:2]-[O:8].[C:3]-[S:4](=[O:5])(=[O:6])-[Cl:7]	4	4175,30750,44966,44975
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[n+:8]:[n:9]:1):[c:7]>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5](:[c:6]:[n+:8]:[n:9]:1):[c:7])-[Cl:10]	4	4214,5963,9974,14373
+[O:1]=[C:2]-1-[c:3]:[c:4]-[C:5](=[O:6])-[N:7]-1-[C:8]>>[O:1]=[C:2]-1-[c:3]:[c:4]-[C:5](=[O:6])-[N:9]-1-[C:13](-[O:12]-[C:11]-[C:10])=[O:14].[N:7]-[C:8]	4	4222,7231,7232,7233
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[c:6]>>[C:1]-[N:2]=[C:3]=[O:4].[O:5]-[c:6]	4	4236,11860,17814,27959
+[c:1](:[c:2]):[n:11]:1:[c:4](:[c:3]):[n:5]:[c:6](-[c:7]):[c:8]:1-[N:9]-[c:10]>>[C:6](-[c:7])=[O:12].[c:1](:[c:2]):[n:11]:[c:4](:[c:3])-[N:5].[C-:8]#[N+:9]-[c:10]	4	4371,25212,43884,44617
+[C:1]=[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[c:7]>>[N:3]-[C:4].[C:1]=[C:2]-[O:8]-[C:5](=[O:6])-[c:7]	4	4412,4451,7986,42007
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[C:6])-[C:7]>>[N:5]-[C:6].[C:1]-[N:2]-[C:7].[C:3](=[O:4])(-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17]	4	4428,7889,19621,22637
+[C:1]-[C:7](-[C:5](=[N:4]-[N:2]-[c:3])-[C:6](=[O:9])-[O:10])=[O:8]>>[C:1]-[C:7](-[C:5]-[C:6](=[O:9])-[O:10])=[O:8].[N:2]-[c:3].[N:4](=[O:11])-[O:12]	4	4561,4562,4563,4564
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[N+:10](=[O:9])-[O-:11]	4	4599,15837,37074,37075
+[C:1]-[O:2]-[C:3]-[c:4](:[c:5]):[n:6]>>[C:1]-[O:2].[C:3](-[c:4](:[c:5]):[n:6])-[Br:7]	4	4621,22581,32736,32788
+[n:1]:[c:2]:[c:3](-[O:4]-[C:5]):[c:6]:[n:7]>>[O:4]-[C:5].[n:1]:[c:2]:[c:3](:[c:6]:[n:7])-[O:8]	4	4685,23023,32304,46944
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]):[n:7]:[c:8]:1>>[N:5]-[C:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[N:12]-[N+:10](=[O:9])-[O-:11]	4	4688,4690,4691,34723
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[s:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[s:7])-[Cl:8].[c:1]-[N:2]	4	4782,38989,42677,45464
+[c:1](:[n:2]):[c:3]-[O:4]-[C:5]-[c:6]>>[C:5](-[c:6])-[Cl:7].[c:1](:[n:2]):[c:3]-[O:4]	4	4895,49004,49756,51158
+[n:1]:[c:5]:[c:3](:[n:2])-[N:4]>>[n:1]:[c:5]:[c:3](:[n:2])-[N+:4](=[O:6])-[O-:7]	4	4915,38973,55945,57331
+[C:1]-[N:2](-[c:3](:[c:4]):[n:9](:[c:6]:[c:5]):[c:8]:[c:7])-[C:10]>>[c:3](:[c:4])(:[n:9](:[c:6]:[c:5]):[c:8]:[c:7])-[F:11].[C:1]-[N:2]-[C:10]	4	4925,4927,13717,13718
+[N:1]-[C:9](-[N:5](-[C:3](-[C:2])-[O:4])-[c:6](:[n:7]):[s:8])=[O:10]>>[N:1]-[C:9](-[N:5]-[c:6](:[n:7]):[s:8])=[O:10].[C:2]-[C:3]=[O:4]	4	4931,5066,11439,25768
+[N:1]-1-[C:2](=[O:3])-[C:4](-[N:5]-[C:6])=[C:7]-[S:8]-1>>[N:5]-[C:6].[N:1]-1-[C:2](=[O:3])-[C:4](=[C:7]-[S:8]-1)-[Cl:9]	4	4957,14416,16137,46284
+[c:1]:1:[c:2](:[c:3]):[n:6](:[c:5]:[c:4]):[c:7]:[n:8]:1>>[C:1](-[c:2](:[c:3]):[n:6]:[c:5]:[c:4])-[N:8]-[C:7]=[O:9]	4	5030,6471,51063,56870
+[c:1]:1(:[n:2]:[c:3]:[c:4](-[C:5](-[N:6])=[O:7]):[c:8]:[n:9]:1)-[O:15]-[n:14](:[c:11](:[c:10]):[c:12]):[n:13]>>[c:1]:1(:[n:2]:[c:3]:[c:4](-[C:5](=[O:7])-[O:16]):[c:8]:[n:9]:1)-[Cl:17].[N:6].[c:10]:[c:11](:[c:12]):[n:14](:[n:13])-[O:15]	4	5060,19076,40999,41000
+[O:1]=[C:2](-[O:3])-[C:4]-[O:5]-[C:6]-[c:7]>>[O:1]=[C:2](-[O:3])-[C:4]-[O:5].[C:6](-[c:7])-[Br:8]	4	5106,26599,37575,54197
+[C:1](=[O:2])-[O:3]-[C:4]-[C:5]>>[C:4](-[C:5])-[Br:6].[C:1](=[O:2])-[O:3]	4	5167,23978,26573,52623
+[c:1]-[N:2](-[C:3]-[C:4])-[S:5]>>[C:3](-[C:4])-[O:6].[c:1]-[N:2]-[S:5]	4	5168,5169,5196,18382
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:6]-[C:7]):[n:8]>>[O:6]-[C:7].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:9]):[n:8]	4	5170,27163,30425,31323
+[C:1]-[N:2]-[c:3](:[n+:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[N:2].[c:3](:[n+:4]:[c:5]:[c:6])(:[c:7])-[Cl:8]	4	5245,36011,36012,46949
+[C:1]-[N:2](-[C:3])-[c:4]:1:[n:5]:[c:6](:[c:7](:[c:8]):[s:10]:1):[c:9]>>[C:1]-[N:2]-[C:3].[c:4]:1(:[n:5]:[c:6](:[c:7](:[c:8]):[s:10]:1):[c:9])-[Cl:11]	4	5307,7824,15044,15045
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1]:[c:2](:[c:3])-[Br:7].[O:4](-[B:5](-[O:6]-[C:13]-[C:14])-[O:10]-[C:9]-[C:8])-[C:11]-[C:12]	4	5386,5388,5389,5390
+[C:1](-[C:2](-[C:3])=[O:7])-[C:4](=[O:5])-[O:6]>>[C:1](-[C:4](=[O:5])-[O:6])-[C:9](=[O:8])-[O:10].[C:2](-[C:3])(=[O:7])-[O:11]	4	5527,5529,5530,5531
+[c:1]:1:[n:2]:[n:3]:2-[C:4](=[O:5])-[C:6]=[C:7](-[c:8])-[N:9]-[c:10]:2:[c:11]:1>>[C:4](=[O:5])(-[C:6]-[C:7](-[c:8])=[O:15])-[O:14]-[C:13]-[C:12].[c:1]:1:[n:2]:[n:3]:[c:10](-[N:9]):[c:11]:1	4	5553,36029,37938,50604
+[C:1]=1-[C:2](=[O:3])-[N:4](-[c:5](:[n:6]):[s:7])-[N:8]-[C:9]=1-[c:10]>>[C:1](-[C:2](=[O:3])-[O:13]-[C:12]-[C:11])-[C:9](-[c:10])=[O:14].[N:4](-[c:5](:[n:6]):[s:7])-[N:8]	4	5554,25473,36307,48323
+[C:1]-[C:2]-[C:3](-[C:4](=[O:6])-[O:7])-[C:5]>>[C:3](-[C:4](=[O:6])-[O:7])-[C:5].[C:1]-[C:2]-[I:8]	4	5586,6597,9548,11761
+[C:1]-[C:2]-[N:3]-[C:4]>>[C:1]-[C:2]-[I:5].[N:3]-[C:4]	4	5600,11056,14415,41911
+[n:1]:1:[c:2]:[c:3]:[c:4](-[C:5]-[c:6]):[c:7]:1>>[n:1]:1:[c:2]:[c:3]:[c:4]:[c:7]:1.[C:5](-[c:6])=[O:8]	4	5645,12256,45951,46041
+[n:1]:[c:6]:[c:2]-[O:3]-[C:4]-[C:5]>>[n:1]:[c:6]:[c:2]-[O:3].[C:4](-[C:5])-[O:11]-[S:8](-[C:7])(=[O:9])=[O:10]	4	5654,13481,19837,20379
+[c:1]:[c:2](-[C:3]=[O:5]):[n:4]>>[c:1]:[c:2](-[C:3](-[O:5]-[C:9]-[C:10])-[O:8]-[C:7]-[C:6]):[n:4]	4	5682,12268,29743,31081
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6](:[c:7]):[c:9]:1:[c:8])-[O:10]>>[C:1]-[C:2](-[c:9](:[c:6](-[C:5](=[O:10])-[O:12]):[c:7]):[c:8])=[O:11].[N:3]-[N:4]	4	5734,42200,42241,42244
+[C:1]-[C:2]-[O:3]-[c:4](:[n:5]):[c:6]>>[C:1]-[C:2]-[Br:7].[O:3]-[c:4](:[n:5]):[c:6]	4	5778,6825,29851,50068
+[N:1]-[c:2]:1:[c:3](:[c:4]:[n:5]:[n:6]:1-[c:7])-[C:10](-[O:9])=[O:11]>>[N:1]#[C:2]-[C:3](=[C:4]-[O:8]-[C:13]-[C:12])-[C:10](-[O:9])=[O:11].[N:5]-[N:6]-[c:7]	4	5888,5890,5892,5893
+[C:1]-[N:2]>>[C:1](-[N:2])(-[O:5]-[C:4]-[C:3])=[O:6]	4	5910,9869,51979,54579
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[C-:3](#[N:4])~[Cu+2:9]~[C-:8]#[N:7].[c:1]:[c:2](:[c:5])-[Br:6]	4	5927,37485,41397,41398
+[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1)-[I:6]>>[c:1]:1:[c:2]:[s:3]:[c:4]:[c:5]:1.[I:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	4	6021,16363,26208,31232
+[C:1]-1(-[c:2])=[N:3]-[S:4]-[C:6](=[O:5])-[O:7]-1>>[S:4](-[C:6](=[O:5])-[Cl:8])-[Cl:9].[C:1](-[c:2])(-[N:3])=[O:7]	4	6076,6077,6078,6079
+[C:1]-[S:2]-[c:3](:[n:4]:[n:5]):[c:6]>>[C:1]-[S:2].[c:3](:[n:4]:[n:5])(:[c:6])-[Cl:7]	4	6085,7533,26008,34311
+[c:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:6]=[O:7]>>[c:1]-[C:2]-[Br:8].[N:3](-[C:4]=[O:5])-[C:6]=[O:7]	4	6140,21432,24333,44778
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[s:6])-[c:7]:[c:9]:[n:8]>>[O:1]=[C:2](-[c:7]:[c:9]:[n:8])-[Cl:10].[N:3]-[c:4](:[n:5]):[s:6]	4	6157,6609,6610,6613
+[C:1]-[O:5]-[S:3](=[O:2])(=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]>>[C:1]-[O:5].[O:2]=[S:3](=[O:4])(-[C:6](-[F:7])(-[F:8])-[F:9])-[O:15]-[S:13](=[O:12])(=[O:14])-[C:16](-[F:10])(-[F:11])-[F:17]	4	6191,7729,9070,37171
+[C:1](=[O:2])-[O:3]-[C:5](-[C:4])(-[C:6])-[C:7]>>[C:1](=[O:2])-[O:3].[C:4]-[C:5](-[C:6])(-[C:7])-[O:17]-[C:11](-[N:9](-[C:8])-[C:10])-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16]	4	6226,24235,24238,24240
+[c:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[c:1]:[c:2]:[c:5].[C:3]-1-[N:7]-2-[C:6]-[N:14]-3-[C:12]-[N:11]-1-[C:10]-[N:9](-[C:8]-2)-[C:13]-3.[O:4]	4	6230,16174,16175,16176
+[c:1]:[c:2]:[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1:[c:8]>>[c:1]:[c:2]:[n:3]:[c:7](-[N:6]):[c:8].[C:4](-[C:5]=[O:9])-[Cl:10]	4	6240,43241,44582,44590
+[c:1]:[c:4]:1:[c:3](:[c:2]):[c:8]:[c:6](:[o:5]:1)-[c:7]>>[c:1]:[c:4](:[c:3](:[c:2])-[I:9])-[O:5].[C:6](-[c:7])#[C:8]	4	6242,6298,7686,30864
+[C:1](=[O:2])-[c:3]>>[C:1](-[c:3])#[N:7].[O:2]=[C:5](-[C:4])-[O:6]	4	6278,24407,43143,44131
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[Cl:8].[C:1]-[N:2]	4	6496,6605,10076,49157
+[N:1]-[C:6](-[N:3](-[c:2])-[C:4]-[c:5])=[O:7]>>[C:4](-[c:5])-[Br:8].[N:1]-[C:6](-[N:3]-[c:2])=[O:7]	4	6520,25607,39589,54155
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5](-[c:6]:2:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:2):[n:12]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5](:[n:12]:1)-[Cl:13].[c:6]:1(:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[B:15](-[O:14])-[O:16]	4	6545,10235,32501,39945
+[N:1]-[c:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[n:7]:1>>[N:1]#[C:2]-[C:3]-[C:4](-[c:5])=[O:8].[N:6]-[N:7]	4	6595,33551,36832,42307
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[I:6].[C-:3](#[N:4])~[Cu+:7]	4	6744,27692,47505,47529
+[C:1](=[O:2])-[O:9].[c:3]-[C:4](=[O:5])-[c:6](:[c:7]):[c:8]>>[C:1](=[O:2])-[O:9]-[C:4](-[c:3])=[O:5].[c:6](:[c:7]):[c:8]	4	6795,17731,34417,44544
+[c:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1>>[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1.[c:1]-[C:2]-[Cl:8]	4	6839,18905,34238,43049
+[C:1]-[C:2](=[O:3])-[C:4]=[N+:5]=[N-:6]>>[C:4](=[N+:5]=[N-:6])-[Si:8](-[C:7])(-[C:9])-[C:10].[C:1]-[C:2](=[O:3])-[Cl:11]	4	6860,28701,33876,33877
+[O:1]=[S:2](=[O:3])(-[N:4]-[C:5]-[C:7](-[N:6])=[O:9])-[c:8]>>[N:4]-[C:5]-[C:7](-[N:6])=[O:9].[O:1]=[S:2](=[O:3])(-[c:8])-[Cl:10]	4	6878,37819,38132,52638
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:7]-[c:8]>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1.[C:7](-[c:8])-[Cl:9]	4	7017,33564,43075,49917
+[C:1]-[C:2](=[O:3])-[N:4](-[c:5])-[C:6](-[C:7])=[O:8]>>[C:1]-[C:2](=[O:3])-[N:4]-[c:5].[C:6](-[C:7])(=[O:8])-[O:12]-[C:10](-[C:9])=[O:11]	4	7071,7782,16883,16992
+[C:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[N:7]-1-[C:8]>>[C:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[N:7]-1.[C:8]-[I:9]	4	7084,31427,31428,31798
+[c:1]:1:[c:2]:[n:3]:[c:4](-[Cl:5]):[n:6]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:6]:1.[Cl:5]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	4	7086,13418,16550,44356
+[O:1]-[C:2](-[C:3]-[O:5])-[C:4]>>[C:2](=[C:3])-[C:4].[O:1]=[C:9](-[C:8])-[C:10].[O:5]=[Os:12](=[O:6])(=[O:7])=[O:11]	4	7097,26315,26316,26317
+[N:1]-[C:8](-[C:2]-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7])=[O:9]>>[N:1]-[C:8](-[C:2]-[O:3])=[O:9].[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:10]	4	7142,12904,24515,34127
+[c:1]:[c:2](-[C:3]=[C:4]-[C:5](=[O:6])-[O:9]):[c:7]:[n:8]>>[c:1]:[c:2](:[c:7]:[n:8])-[Br:10].[C:3]=[C:4]-[C:5](=[O:6])-[O:9]	4	7149,14014,18086,30594
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7]>>[C:3](-[c:4]:[c:6]:[n:5])-[O:8].[C:1]-[N:2]-[C:7]	4	7160,11607,11608,11609
+[N:1]-[C:2]-[C:3](=[O:4])-[N:5]>>[N:1]-1(-[C:2]-[C:3](=[O:4])-[N:5])-[C:6](=[O:7])-[c:15]:2:[c:10](-[C:9]-1=[O:8]):[c:11]:[c:12]:[c:13]:[c:14]:2	4	7196,18293,21591,55742
+[C:1]-[N:2]=[C:3](-[N:4])-[S:6]-[C:5]>>[C:5]-[I:7].[C:1]-[N:2]-[C:3](-[N:4])=[S:6]	4	7252,31394,31638,31876
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[C:1]-[N:2].[C:3](=[O:4])(-[n:7]:1:[c:8]:[c:9]:[n:10]:[c:11]:1)-[n:16]:2:[c:12]:[n:13]:[c:14]:[c:15]:2	4	7269,13257,14641,37668
+[c:1](:[c:2]):[n:6]:[c:4](:[c:3])-[C:5]#[N:7]>>[c:1](:[c:2]):[n:6]:[c:4](:[c:3])-[Cl:8].[C-:5](#[N:7])~[Cu+:9]	4	7321,12292,12540,38928
+[O:1]=[C:2](-[O:3])-[c:4]:1:[c:5]:[n:6](:[c:7]:[c:8]):[c:10](:[c:9]):[n:11]:1>>[n:6](:[c:7]:[c:8]):[c:10](:[c:9])-[N:11].[O:1]=[C:2](-[O:3])-[C:4](-[C:5]-[Br:13])=[O:12]	4	7322,34360,36996,42817
+[C:1]-[N:2](-[C:3]-[C:4]=[C:5])-[C:6]>>[C:1]=[O:7].[N:2](-[C:3]-[C:4]=[C:5])-[C:6]	4	7384,16489,16683,16701
+[C:1]-[n:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1>>[C:3]-1=[C:4]-[C:9]-2-[C:8]=[C:7]-[C:11]-1-[C:10]-2.[C:1]-[N:2]=[N+:6]=[N-:5]	4	7401,7402,7403,7404
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]>>[C:1]-[N:2].[C:3](=[O:4])(-[N:5])-[O:11]-[C:10]-[C:7](-[Cl:6])(-[Cl:8])-[Cl:9]	4	7463,25405,25434,27822
+[c:1](:[c:2]:[c:4](-[O:5]-[C:6]):[c:7]):[o:3]>>[O:5]-[C:6].[c:1](:[c:2]:[c:4](:[c:7])-[O:8]):[o:3]	4	7467,15394,50288,55957
+[N:1]=[C:2](-[Cl:3])-[C:4]>>[N:1]=[C:2]-[C:4].[Cl:3]-[N:11]-1-[C:6](=[O:5])-[C:7]-[C:8]-[C:9]-1=[O:10]	4	7476,18067,44359,44385
+[C:1]-[C:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[C:2](-[C:3](-[C:4])=[O:5])-[C:10](=[O:6])-[O:9]-[C:8]-[C:7]	4	7482,50075,53016,54180
+[c:1]-[N:2]-[C:3](-[C:4]=[C:5](-[C:6])-[C:7])=[O:8]>>[C:3](-[C:4]=[C:5](-[C:6])-[C:7])(=[O:8])-[Cl:9].[c:1]-[N:2]	4	7507,26244,26245,26247
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5])-[C:6]-[N:7]-[c:8]>>[N:7]-[c:8].[O:1]-[C:2](=[O:3])-[C:4]-1-[O:5]-[C:6]-1	4	7529,26763,27062,42644
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1:2>>[c:5]:1(:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1)-[Cl:11].[c:1]-[C:2](-[N:3]-[N:4])=[O:12]	4	7565,7566,8903,38168
+[N:1]-[c:2](:[n:3]:[n:4]):[c:5]>>[c:2](:[n:3]:[n:4])(:[c:5])-[Cl:6].[N:1]	4	7569,27755,39793,40926
+[c:1]:[c:9]:[n:8]:[c:3](:[c:2])-[N:4]-[c:5]:[c:7]:[n:6]>>[c:1]:[c:9]:[n:8]:[c:3](:[c:2])-[Cl:10].[N:4]-[c:5]:[c:7]:[n:6]	4	7625,11654,43541,48713
+[C:1]-[N:2]-[C:3]>>[C:1]=[O:4].[N:2]-[C:3]	4	7670,10145,16602,16739
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:6](:[s:5]):[c:7]:1-[N:8]-[C:9]>>[N:8]-[C:9].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:6](:[s:5]):[c:7]:1-[Cl:10]	4	7767,9418,9494,22307
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[s:7]>>[N:4]-[c:5](:[n:6]):[s:7].[C:1]-[C:2](=[O:3])-[O:11]-[C:9](-[C:8])=[O:10]	4	7982,16836,16870,17033
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5](-[O:4]-[C:3]):[c:11]:[c:10]:1	4	7994,45322,51956,54422
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[Br:6]):[n:7]:1:[n:8]>>[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:7]:1:[n:8].[Br:6]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	4	8099,8172,8443,8578
+[n:1]:1:[n:2]:[c:3]:[c:4](-[Br:5]):[c:6]:1:[n:7]>>[Br:5]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:6]:1:[n:7]	4	8179,8212,8359,8459
+[n:1]:[c:2]:[c:6]:[c:4](:[c:3])-[Br:5]>>[Br:5]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[n:1]:[c:2]:[c:6]:[c:4]:[c:3]	4	8192,8436,8527,8587
+[n:1]:1:[c:2]:[c:3](-[Br:4]):[c:5]:[c:7]:1:[n:6]>>[Br:4]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[n:1]:1:[c:2]:[c:3]:[c:5]:[c:7]:1:[n:6]	4	8439,8496,8595,8744
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[C:6](-[N:7]-[c:8])=[O:9]>>[O:1]-1-[C:2](=[O:3])-[C:4]-[C:5]-[C:6]-1=[O:9].[N:7]-[c:8]	4	8790,8791,8799,25752
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:7]-[C:6].[N+:4](-[C:5])(=[O:9])-[O-:10]	4	8845,20098,28756,56858
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]=[C:4].[O:3]=[O+:6]-[O-:5]	4	8866,11978,22460,48108
+[N:1]#[C:2]-[C:3]-[C:4](-[C:5])=[O:6]>>[C:4](-[C:5])(=[O:6])-[O:8]-[C:7].[N:1]#[C:2]-[C:3]	4	8941,12075,17191,40222
+[O:1]=[C:2](-[O:3])-[c:4]>>[C:2](-[c:4])#[N:6].[O:3]-[C:5].[O:1]	4	9039,32828,32833,32843
+[C:1]-1-[C:2](=[O:3])-[N:4](-[C:5])-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]-1=[O:11]>>[N:4](-[C:5])=[C:6]=[O:7].[N:8]-[C:9].[C:1](-[C:2](=[O:3])-[Cl:12])-[C:10](=[O:11])-[Cl:13]	4	9064,9066,17811,26943
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[C:6]=[O:7]>>[C:4](-[C:5])-[C:6]=[O:7].[O:1]-[C:2](=[O:3])-[O:9]-[C:8]	4	9133,22844,43124,43125
+[C:1](-[C:2]-[C:3]-[O:4]-[C:5]=[O:6])=[C:7]>>[O:4]-[C:5]=[O:6].[C:1](-[C:2]-[C:3]-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11])=[C:7]	4	9137,11817,45213,45214
+[c:1](:[c:2]-[N:3](-[C:4](=[O:5])-[C:6])-[C:7]):[s:8]>>[C:4](=[O:5])(-[C:6])-[Cl:9].[c:1](:[c:2]-[N:3]-[C:7]):[s:8]	4	9161,9240,9241,27126
+[O:1]=[C:2]-1-[N:3]=[C:4]-[N:5]-[O:6]-1>>[N:3]=[C:4]-[N:5]-[O:6].[O:1]=[C:2](-[n:9]:1:[c:8]:[c:7]:[n:16]:[c:15]:1)-[n:10]:2:[c:11]:[c:12]:[n:13]:[c:14]:2	4	9196,34607,38740,41490
+[c:1]-1:[c:2]-[N:3]-[C:4](=[O:5])-[N:6]-1-[C:7]>>[c:1](:[c:2]-[N:3])-[N:6]-[C:7].[C:4](=[O:5])(-[O:15]-[C:12](-[Cl:11])(-[Cl:13])-[Cl:14])-[O:16]-[C:17](-[Cl:8])(-[Cl:9])-[Cl:10]	4	9219,13548,18941,27119
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5]#[C:6]-[C:7]):[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:8]:1)-[I:9].[C:5]#[C:6]-[C:7]	4	9276,14001,17265,26032
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2]:[c:4].[O:3]-[O:5]	4	9291,13138,47268,47300
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]-[C:2]=[O:5].[C:3](-[c:4])-[P+:10](-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:24]:[c:23]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:3	4	9297,9332,27548,53643
+[C:1]-[N:2]-[C:3](-[N:4]-[C:7]=[O:6])=[S:5]>>[C:1]-[N:2].[C:3](=[N:4]-[C:7]=[O:6])=[S:5]	4	9346,37169,37481,37735
+[c:1]:1:[n:2]:[c:3](:[c:4]):[n:6](:[n:5]):[c:7](-[N:8]):[c:9]:1>>[c:1]:1:[n:2]:[c:3](:[c:4]):[n:6](:[n:5]):[c:7](:[c:9]:1)-[Cl:10].[N:8]	4	9388,22451,39643,40740
+[c:1]:1:[c:2]:[c:3]:[n:4](-[c:5](:[c:6]):[c:7]):[c:8]:1:[c:9]>>[c:5](:[c:6])(:[c:7])-[F:10].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:8]:1:[c:9]	4	9507,18922,35987,36151
+[n:1]:1:[c:2]:[c:3](:[c:4](:[c:5]:1:[n:6]):[c:8]:[n:7])-[I:9]>>[n:1]:1:[c:2]:[c:3]:[c:4](:[c:5]:1:[n:6]):[c:8]:[n:7].[I:9]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15]	4	9574,25800,34384,44393
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[O:4])(-[c:5])=[O:7]	4	9594,13024,13834,15778
+[C:1]-[N:2](-[c:3](:[c:4]:[c:5]:[n:7]):[c:6])-[C:8]>>[C:1]-[N:2]-[C:8].[c:3](:[c:4]:[c:5]:[n:7])(:[c:6])-[Cl:9]	4	9612,25785,32548,32571
+[s:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[n:8]>>[N:5](-[C:6])-[C:7].[s:1]:[c:2](-[C:3](=[O:4])-[O:9]):[n:8]	4	9694,18722,27052,27101
+[C:1]=[C:2]-[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1]=[C:2]-[C:3]-[C:4]-[Br:8]	4	9722,16468,26163,26164
+[N:1]=[C:2](-[N:3])-[N:4]-[O:5]>>[N:1]#[C:2]-[N:3].[N:4]-[O:5]	4	9807,9808,13400,19479
+[c:1]:[c:2](-[N:3]-[C:4]-[C:6](-[N:5])=[O:7]):[c:8]>>[N:3]-[C:4]-[C:6](-[N:5])=[O:7].[c:1]:[c:2](:[c:8])-[F:9]	4	9841,41682,49033,49558
+[C:1]-[C:2](-[C:3])(-[C:4]-[C:5]=[O:6])-[O:8]-[c:7]>>[C:1]-[C:2](-[C:3])=[O:9].[C:4]-[C:5]=[O:6].[c:7]-[O:8]	4	9880,22526,26325,33220
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[n:7]>>[C:1]-[C:2](=[O:3])-[O:8].[N:4]-[c:5](:[n:6]):[n:7]	4	9946,21655,38354,45550
+[c:1]:[c:2]:[c:3]:[n:4]>>[c:1]:[c:2](:[c:3]:[n:4])-[Br:5]	4	9953,33982,34346,48492
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2]#[N:3].[O:4]=[S:6](=[O:5])(-[O:7])-[O:8]	4	10005,45810,45813,45817
+[C:1]-1-[C:2]-[C:3]-[N:4](-[c:5])-[C:6]-1=[O:7]>>[C:1](-[C:2]-[C:3]-[O:12]-[C:8])-[C:6](=[O:7])-[O:11]-[C:10]-[C:9].[N:4]-[c:5]	4	10008,30583,30584,37980
+[c:1]-[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7]>>[N:5]-[N:6]-[C:7].[c:1]-[C:2](-[C:3]=[C:4]-[N:9](-[C:8])-[C:10])=[O:11]	4	10262,11763,22183,22184
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[O:7]-[C:8]>>[O:7]-[C:8].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[F:9]	4	10280,27158,42810,51023
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5])-[C:6]):[n:7]:[c:8]:1>>[C:4](-[C:5])(-[C:6])-[O:9].[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1	4	10289,10659,10805,27178
+[c:1]-[C:2](=[C:3]-[C:4]#[N:5])-[C:6]>>[c:1]-[C:2](-[C:6])=[O:15].[C:3](-[C:4]#[N:5])-[P:10](-[O:9]-[C:8]-[C:7])(=[O:11])-[O:12]-[C:13]-[C:14]	4	10362,16053,34395,43431
+[c:1]:[c:2](-[N:3]-[C:4]-[C:5](=[O:6])-[O:7]):[c:8]>>[N:3]-[C:4]-[C:5](=[O:6])-[O:7].[c:1]:[c:2](:[c:8])-[Br:9]	4	10445,10446,25987,26608
+[C:1](-[C:2])=[O:3]>>[C:1](-[C:2])#[N:9].[O:3]=[C:7](-[O:6]-[C:5]-[C:4])-[C:8]	4	10491,10534,11659,17159
+[n:1]:1:[n:2]:[c:3](-[C:4]):[c:5](-[c:6]):[c:7]:1-[N:8]>>[C:3](-[C:4])(-[C:5](-[c:6])-[C:7]#[N:8])=[O:9].[N:1]-[N:2]	4	10582,42154,42176,42186
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[c:7]:[s:8]>>[N:5]-[c:6].[n:1]:[c:2](-[C:3](=[O:4])-[O:9]):[c:7]:[s:8]	4	10641,16823,20779,27044
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17].[N:5](-[C:6])-[C:7]	4	10706,13667,13668,30003
+[c:1]:[c:2](-[N:3]=[C:5]):[c:4]>>[c:1]:[c:2](:[c:4])-[Br:6].[N:3]=[C:5]	4	10738,31958,51278,52117
+[C:1](=[O:2])-[C:3](-[C:4](=[O:5])-[O:6])=[C:7]-[N:8]-[C:9]>>[N:8]-[C:9].[C:1](=[O:2])-[C:3](-[C:4](=[O:5])-[O:6])=[C:7]-[O:12]-[C:11]-[C:10]	4	11007,11008,11021,12461
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]>>[N:4](-[C:5])-[C:6].[c:1]:[c:2](-[C:3]-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11]):[n:7]	4	11104,12681,13679,45237
+[C:1]-[C:2]-1=[C:3]-[N:4](-[C:5])-[c:6](:[c:7]):[c:8]-[C:9]-1>>[C:1]-[C:2](=[C:3]-[N:4]-[C:5])-[C:9]-[c:8]:[c:6](:[c:7])-[F:10]	4	11177,11178,25014,40081
+[n:1]:[c:2]:1:[c:3](-[C:4]=[C:5]-2-[N:6]-[C:7](=[O:8])-[N:9]-[C:10]-2=[O:11]):[c:12]:[n:13]:[n:14]:1>>[n:1]:[c:2]:1:[c:3](-[C:4]=[O:15]):[c:12]:[n:13]:[n:14]:1.[C:5]-1-[N:6]-[C:7](=[O:8])-[N:9]-[C:10]-1=[O:11]	4	11210,11212,36233,44462
+[n:1]:[c:2]:1:[c:3](-[C:4]=[O:8]):[c:5]:[n:6]:[n:7]:1>>[n:1]:[c:2]:1:[c:3]:[c:5]:[n:6]:[n:7]:1.[C:4](=[O:8])-[N:10](-[C:9])-[C:11]	4	11213,24119,32183,32239
+[n:1]:[c:2](-[N:3](-[C:4])-[S:5](=[O:6])(=[O:7])-[c:8]):[c:9]>>[n:1]:[c:2](-[N:3]-[C:4]):[c:9].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:10]	4	11226,45467,45915,45932
+[O:1]-[C:2](=[O:3])-[C:4]-[c:5](:[c:6]):[c:7]>>[c:5](:[c:6])(:[c:7])-[Br:8].[O:1]-[C:2](=[O:3])-[C:4]-[Zn+:9]	4	11231,18330,18333,18334
+[O:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[C:6](=[C:7]-[c:8](:[c:9]):[o:10])-[S:11]-1>>[C:7](-[c:8](:[c:9]):[o:10])=[O:12].[O:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[C:6]-[S:11]-1	4	11249,14451,27358,44479
+[N+:1](-[c:2](:[c:3]):[c:4])(=[O:5])-[O-:6]>>[c:2](:[c:3]):[c:4].[N:1](=[O:5])-[O:6]	4	11321,45644,47220,47225
+[n:1]:[c:2]:[c:3]:[c:4](-[N:5]-1-[C:6]=[C:7]-[C:8](=[C:9]-[C:10]-1=[O:11])-[O:13]):[c:12]>>[n:1]:[c:2]:[c:3]:[c:4](:[c:12])-[Br:14].[n:5]:1:[c:6]:[c:7]:[c:8](:[c:9]:[c:10]:1-[O:11])-[O:13]	4	11405,19760,23139,23140
+[c:1]:[c:2](:[c:3]:[n:4])-[B:6](-[O:5])-[O:7]>>[c:1]:[c:2](:[c:3]:[n:4])-[Br:8].[O:5]-1-[B:6](-[O:7]-[C:17](-[C:14]-1(-[C:15])-[C:16])(-[C:18])-[C:19])-[B:13]-2-[O:12]-[C:10](-[C:9])(-[C:11])-[C:21](-[O:20]-2)(-[C:22])-[C:23]	4	11411,13395,26098,28269
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1):[c:8]>>[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:1)-[I:13].[c:1]:[c:2](:[c:8])-[B:18]-1-[O:9]-[C:10](-[C:11])(-[C:12])-[C:15](-[C:14])(-[C:16])-[O:17]-1	4	11442,11456,29077,29078
+[c:1]-[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:2](-[C:3])-[Br:7]	4	11527,11528,15719,19704
+[c:1]-[C:2](=[O:3])-[N:4]-[N:5]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]>>[c:1]-[C:2](=[O:3])-[O:13].[N:4]-[N:5]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]	4	11538,24013,24015,24016
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8]>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8])-[S:11](-[C:10])=[O:12]	4	11633,11634,12376,22312
+[C:1]-[S:2](=[O:3])-[c:4]>>[C:1]-[S:2]-[c:4].[O-:3]-[I+3:6](-[O-:5])(-[O-:7])-[O:8]	4	11657,15513,44836,44837
+[c:1](:[n:2]):[c:3]-[O:4]-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])-[Br:8].[c:1](:[n:2]):[c:3]-[O:4]	4	11677,12099,26354,26359
+[C:1](=[O:2])(-[C:3](-[C:4])(-[c:5])-[C:6])-[O:7]>>[C:1](=[O:2])(-[C:3](-[c:5])-[C:6])-[O:7].[C:4]-[I:8]	4	11694,31498,31652,31736
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[I:10].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[B:12](-[O:11])-[O:13]	4	11727,49262,53697,55564
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[o:6]:1):[c:7]):[c:8]>>[C:1]-[C:2](-[N:3]-[c:4](:[c:5](-[O:6]):[c:7]):[c:8])=[O:9]	4	11811,22110,56427,57016
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:6]>>[n:1]:[c:2]:[c:3]-[C:4]=[O:5].[O:6]-[P:8](=[O:7])(-[O:9])-[O:10]	4	11816,30829,44824,47330
+[S:1](-[c:2](:[c:3]:[c:5]:[n:4]):[c:6])-[C:7]>>[S:1]-[C:7].[c:2](:[c:3]:[c:5]:[n:4])(:[c:6])-[Br:8]	4	11819,34110,47459,51124
+[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:7])(-[c:6])-[O:8]>>[C:1]-[C:2](-[c:6])=[O:8].[C:3](-[C:4](=[O:5])-[O:7])-[Br:9]	4	11845,29502,30667,30697
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[N:2].[N:5](-[C:6])-[C:7].[C:3](=[O:4])(-[Cl:8])-[O:18]-[c:17]:1:[c:9]:[c:10]:[c:14](-[N+:12](=[O:11])-[O-:13]):[c:15]:[c:16]:1	4	11996,12578,13797,27841
+[C:1]-[N:2]-[c:3]:1:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1>>[c:3]:1(:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1)-[Br:11].[C:1]-[N:2]	4	12032,14203,36111,48146
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6](:[n:7]):[c:8])-[C:9]>>[C:1]-[N:2]-[C:9].[S:3](=[O:4])(=[O:5])(-[c:6](:[n:7]):[c:8])-[Cl:10]	4	12115,23194,23587,34062
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]:[n:7]):[c:9]:[n:8]>>[C:1]-[C:2](=[O:3])-[O:11]-[C:10].[N+:4](-[c:5](:[c:6]:[n:7]):[c:9]:[n:8])(=[O:12])-[O-:13]	4	12197,26992,40181,57315
+[N:1]-[C:2](=[O:3])-[C:4]=[C:5]>>[C:2](=[O:3])(-[C:4]=[C:5])-[O:6].[N:1]	4	12282,28653,40200,40876
+[C:1]-[N:2](-[C:3]-[C:4]=[C:5])-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[Cl:9].[C:1]-[N:2]-[C:3]-[C:4]=[C:5]	4	12361,12667,29346,43061
+[N:1]-[C:2](=[O:3])-[O:4]-[c:5]>>[O:4]-[c:5].[N:1]-[C:2](=[O:3])-[Cl:6]	4	12419,14346,31924,55526
+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:[c:6]:1-[N:7]-[C:8]):[n:9]>>[N:7]-[C:8].[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:[c:6]:1-[Cl:10]):[n:9]	4	12462,22657,23571,49741
+[n:1]:[c:2](:[c:3])-[C:5](-[C:4])-[N:6]-[C:7]>>[N:6]-[C:7].[n:1]:[c:2](:[c:3])-[C:5](-[C:4])=[O:8]	4	12486,41773,41967,55768
+[N:1]#[C:2]-[C:3](=[C:4](-[c:5])-[Cl:9])-[C:7](-[N:6])=[O:8]>>[N:1](-[C:2](-[C:3](=[C:4](-[c:5])-[O:21])-[C:7](-[N:6])=[O:8])=[O:14])-[C:15]-1-[C:16]-[C:17]-[C:18]-[C:19]-[C:20]-1.[Cl:9]-[P:11](=[O:10])(-[Cl:12])-[Cl:13]	4	12502,12505,12506,35454
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[n:6]:[c:7]:2:[c:8]:[n:9]:[c:10]:[n:11]:1:2>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[n:11]:1:[c:7]:[c:8]:[n:9]:[c:10]:1.[N:6](=[O:12])-[O:13]	4	12563,38695,38697,40089
+[c:1](:[c:2]:[n:8])-[N:4](-[C:3])-[C:5](=[O:6])-[C:7]>>[c:1](:[c:2]:[n:8])-[N:4]-[C:3].[C:5](=[O:6])(-[C:7])-[Cl:9]	4	12597,15253,43945,49358
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:3](-[c:4])=[O:5].[C:1]-[C:2]-[P+:10](-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:24]:[c:23]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:3	4	12630,20516,48478,51040
+[C:1]-[n:2]:1:[n:3]:[c:4](-[C:5](=[O:9])-[O:10]):[c:6]:[c:7]:1-[c:8]>>[C:4](-[C:5](=[O:9])-[O:10])(-[C:6]-[C:7](-[c:8])=[O:12])=[O:11].[C:1]-[N:2]-[N:3]	4	12652,17850,26802,26803
+[C:1]-[O:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[O:2].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[O:8]	4	12654,30327,36758,47369
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:6]):[c:7]>>[c:3](:[c:4]:[n:5])(:[c:6])-[Br:8].[c:1]:[c:2](:[c:7])-[O:12]-[B:10](-[O:9])-[O:11]	4	12849,15851,24478,54584
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[c:8]):[n:10]:1:[n:9]):[c:11]>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[c:8]):[n:10]:1:[n:9])-[Cl:13].[c:1]:[c:2](:[c:11])-[B:15](-[O:12])-[O:14]	4	12898,25760,43929,50463
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7]-[C:8]>>[C:7](-[C:8])-[Cl:9].[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1	4	12937,13245,32286,32313
+[C:1]-[C:2]-1(-[C:3]-[O:4]-1)-[c:5]>>[C:3]-1-[O:8]-[C:7]-[C:6]-[C:9]-1.[C:1]-[C:2](=[O:4])-[c:5]	4	13107,13115,13121,13128
+[n:1]:[c:2]:[c:3](-[C:4]-1-[C:5]-[C:6]-1):[c:7]>>[n:1]:[c:2]:[c:3](:[c:7])-[Br:8].[C:4]-1(-[C:5]-[C:6]-1)-[B-:10](-[F:9])(-[F:11])-[F:12]	4	13130,36890,37935,40247
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:3](-[C:5])#[N:6].[C:1]-[O:2].[O:4]-[S:8](=[O:7])(=[O:9])-[O:10]	4	13184,17168,26216,30301
+[N:1]-[C:2]>>[N:1]-[C:2](-[O:4]-[C:3])=[O:5]	4	13200,25743,52394,56961
+[N+:1]-[C:2]=[C:3](-[N:4]-[C:5])-[N:6]>>[N+:1]-[C:2]=[C:3](-[N:6])-[S:8]-[C:7].[N:4]-[C:5]	4	13207,26265,30171,31249
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]:[n:7]>>[c:1]:[c:2](:[c:6]:[n:7])-[I:8].[N:3](-[C:4])-[C:5]	4	13208,15724,18874,19643
+[n:1]:[c:2]:[c:5](:[c:4]:[n:3])-[C:6]-[C:7]-[C:8]>>[n:1]:[c:2]:[c:5](:[c:4]:[n:3])-[C:6]#[C:7]-[C:8]	4	13224,20369,52637,56609
+[N:1]=[C:2]-[C:3]=[C:4]-[c:5]>>[N:1]=[C:2]-[C:3].[C:4](-[c:5])=[O:6]	4	13237,41717,44475,54141
+[c:1]:[c:2](-[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Cl:9].[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1	4	13277,33381,35980,38922
+[n:1]:[c:2]:[c:3](-[C:4]-[O:5]):[n:6]>>[n:1]:[c:2]:[c:3](-[C:4](-[O:5])=[O:7]):[n:6]	4	13329,34624,57042,57207
+[C:1]-[C:2](-[C:3]#[N:4])-[O:5]>>[C:1]-[C:2]=[O:5].[C:3]#[N:4]	4	13431,29699,41169,41170
+[n:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[c:9]:1:[n:10]>>[n:1]:1:[c:2]:[c:3]:[c:4](:[c:8]:[c:9]:1:[n:10])-[Br:11].[c:5](:[c:6])(:[c:7])-[B:13](-[O:12])-[O:14]	4	13563,19561,53041,54958
+[n:1]:1:[c:2](-[N:3](-[C:4])-[C:5]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[N:3](-[C:4])-[C:5].[n:1]:1:[c:2](:[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10])-[Cl:11]	4	13659,35857,35858,41616
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:9]:1:[n:8])-[C:10]>>[C:1]-[N:2]-[C:10].[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:9]:1:[n:8])-[Cl:11]	4	13716,18457,19727,23659
+[C:1]-[N:2](-[C:3](-[c:4])-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[c:4])(-[c:5])-[Cl:7]	4	13735,13786,13829,15064
+[C:1]-[N:2](-[c:3](:[c:4]):[c:7]:[c:6]:[n:5])-[C:8]>>[C:1]-[N:2]-[C:8].[c:3](:[c:4])(:[c:7]:[c:6]:[n:5])-[F:9]	4	13756,14878,15661,15673
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]:[n:6]):[s:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[c:4](:[c:5]:[n:6]):[s:7])=[O:9]	4	13760,14857,15547,19137
+[O:1]=[C:2](-[N:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2](-[N:3])-[O:12]-[C:11]-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10]	4	13896,15204,15208,34860
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]):[n:7]:[c:8]:[c:9]>>[N:3]-[C:4](=[O:5])-[N:6].[c:1]:[c:2](:[n:7]:[c:8]:[c:9])-[Cl:10]	4	13929,30285,31966,35862
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5]>>[C:3](=[O:4])(-[N:5])-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[N+:7](=[O:6])-[O-:8]):[c:15]:[c:14]:1.[C:1]-[O:2]	4	13935,19743,32385,43779
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]):[c:8]>>[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:18].[c:1]:[c:2](:[c:8])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	4	14066,28325,29036,29101
+[C:1]-1-[C:2]-[O:3]-1>>[C:1](-[C:2]-[Cl:4])-[O:3]	4	14082,23240,23274,55019
+[c:1]-[N:2]-[C:3](=[O:6])-[O:7]-[C:4]=[O:5]>>[c:1]-[N:2].[C:4](=[O:5])-[O:7].[C:3](=[O:6])(-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[Cl:13]	4	14231,32468,34870,34872
+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-1-[C:8]>>[C:1]-[C:2](-[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-[C:8])=[O:9]	4	14247,52095,52543,53466
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]>>[C:3](=[O:4])(-[N:5])-[Cl:6].[c:1]-[N:2]	4	14344,24181,27475,43524
+[C:1](-[c:2](:[c:3]):[o:4])=[O:5]>>[C:1](-[c:2](:[c:3]):[o:4])(-[O:5]-[C:9]-[C:10])-[O:8]-[C:7]-[C:6]	4	14455,27359,43419,43420
+[C:1]-[C:2](=[N:3]-[N:4]-[C:5]=[O:6])-[c:7]>>[N:3]-[N:4]-[C:5]=[O:6].[C:1]-[C:2](-[c:7])=[O:8]	4	14468,14469,36139,42346
+[c:1]-[C:2]-1=[N:3]-[C:4]-[C:5]-[N:6]-1>>[c:1]-[C:2]#[N:7].[N:3]-[C:4]-[C:5]-[N:6]	4	14512,27678,33516,42130
+[c:1]-[N:2]>>[c:1]-[N:2]-[C:7](-[O:6]-[C:5]-[C:4]=[C:3])=[O:8]	4	14561,19323,25724,27793
+[c:1]-[O:2]-[C:3]-[c:4](:[c:5]:[s:6]):[n:7]>>[C:3](-[c:4](:[c:5]:[s:6]):[n:7])-[Cl:8].[c:1]-[O:2]	4	14587,15959,22739,48729
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[c:8]:[n:9]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[c:2]:[n:3]:[c:4](:[c:8]:[n:9]:1)-[Br:10]	4	14908,15161,15697,19690
+[O:1]=[C:2](-[c:3](:[n:4]):[n:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[O:1]=[C:2](-[c:3](:[n:4]):[n:5])-[O:9]	4	15136,16223,22684,30844
+[O:1]-[C:2]-[C:3]-[O:4]-[c:5]>>[O:1]-1-[C:2]-[C:3]-[O:8]-[C:7]-1=[O:6].[O:4]-[c:5]	4	15292,15293,15294,15295
+[N:1]-[N:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[F:6].[N:1]-[N:2]	4	15497,42171,42173,42297
+[c:1]:1:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7](:[c:8]:[c:9]):[c:11](:[c:10]):[n:12]:1>>[C:3]=[O:13].[N:4](-[C:5])-[C:6].[c:1]:1:[c:2]:[n:7](:[c:8]:[c:9]):[c:11](:[c:10]):[n:12]:1	4	15531,15533,15536,16629
+[c:1]:1:[c:2](:[s:3]):[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:[c:9]:[n:10]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[c:2](:[s:3]):[c:4](:[n:8]:[c:9]:[n:10]:1)-[Cl:11]	4	15689,20467,26815,32696
+[O:1]=[C:2](-[C:3])-[N:4]-[C:5](=[S:6])-[N:7]-[c:8]>>[N:7]-[c:8].[O:1]=[C:2](-[C:3])-[N:4]=[C:5]=[S:6]	4	15783,50773,50782,52240
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[N:6]):[c:7]>>[N:5]-[N:6].[n:1]:[c:2](-[C:3](=[O:4])-[O:8]):[c:7]	4	15855,15856,15857,19526
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]-[c:7]:[c:8]:[n:9]>>[N:6]-[c:7]:[c:8]:[n:9].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[F:10]	4	15858,24141,43881,45183
+[N:1]-[C:2]=[N:3]-[C:4]=[O:5]>>[N:3]-[C:4]=[O:5].[N:1]-[C:2](-[O:7]-[C:6])-[O:8]-[C:9]	4	15861,18517,27977,43159
+[c:1]:[c:2]:1:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[c:9]:[c:10]:1>>[c:1]:[c:2]:1:[n:3]:[c:4](:[n:8]:[c:9]:[c:10]:1)-[Cl:11].[c:5](:[c:6])(:[c:7])-[B:13](-[O:12])-[O:14]	4	15887,15975,15976,18431
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:11]-[C:10]-[C:9].[N:1]-[N:2]	4	15889,30834,38379,42177
+[N:1]=[C:2](-[C:3](=[O:6])-[N:8](-[O:7])-[C:9])-[C:4]=[O:5]>>[N:1]=[C:2](-[C:3](=[O:6])-[O:10])-[C:4]=[O:5].[O:7]-[N:8]-[C:9]	4	15905,40208,40273,41504
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1:2>>[C:1]-[C:2](-[N:3]-[N:4])=[O:12].[c:5]:1(:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1)-[Cl:11]	4	15951,36813,42342,54357
+[C:1]-[C:2](=[N:3])-[N:7](-[C:5](-[c:4])=[O:6])-[c:8]>>[C:1]-[C:2](=[N:3])-[O:9]-[C:5](-[c:4])=[O:6].[N:7]-[c:8]	4	16471,16472,48895,50240
+[C:1]-[C:2](-[C:3]-[C:4]-[C:5](=[O:6])-[C:7])(-[C:8]=[O:10])-[C:9]>>[C:3]=[C:4]-[C:5](=[O:6])-[C:7].[C:1]-[C:2](-[C:8]=[O:10])-[C:9]	4	16514,16516,16519,29640
+[C:1]-[C:2](=[C:3])-[C:4]=[O:5]>>[C:3]=[O:6].[C:1]-[C:2]-[C:4]=[O:5]	4	16616,16617,16719,16750
+[c:1]-[N:2](-[C:3])-[C:4]>>[C:4]=[O:7].[C:3]-[C:6]#[N:5].[c:1]-[N:2]	4	16696,16697,16698,16699
+[c:1](-[N:2]-[C:3](-[C:4])=[O:5]):[c:6]:[n:7]>>[c:1](-[N:2]):[c:6]:[n:7].[C:3](-[C:4])(=[O:5])-[O:11]-[C:9](-[C:8])=[O:10]	4	16829,16989,17097,17111
+[c:1]:1:[n:2]:[n:3]:[c:5](:[c:4]):[c:6]:1-[C:7](-[C:8])=[O:9]>>[C:7](-[C:8])(=[O:9])-[O:13]-[C:11](-[C:10])=[O:12].[c:1]:1:[n:2]:[n:3]:[c:5](:[c:4]):[c:6]:1	4	16899,17022,17040,17065
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2](=[O:3])-[O:10]-[C:8](-[C:7])=[O:9].[c:4](:[c:5]):[c:6]	4	16971,17008,17017,17018
+[C:1]#[C:2]>>[C:1](#[C:2])-[C:4](-[C:3])(-[C:5])-[O:6]	4	17147,26040,26041,53507
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[c:3](:[c:4])(:[c:5])-[I:8]	4	17233,39131,40339,48643
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:7](:[c:6])-[N:8]	4	17276,21827,37244,37588
+[C:1]-[C:2]-1(-[O:3]-[C:4]-1)-[C:5]>>[C:1]-[C:2](=[O:3])-[C:5].[C:4]-[S+:7](-[C:6])(-[C:8])=[O:9]	4	17290,22505,33648,33649
+[C:1]-[C:2](=[C:3])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:5].[C:3]-[P+:10](-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:24]:[c:23]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:3	4	17595,21990,52614,54560
+[c:1]:[c:2](-[C:3](=[O:4])-[Cl:6]):[s:5]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:10]):[s:5].[Cl:6]-[S:8](=[O:7])-[Cl:9]	4	17608,35645,35646,35678
+[c:1](-[C:2]-[N:3]-[c:4]):[c:5]:[n:6]>>[N:3]-[c:4].[c:1](-[C:2]=[O:7]):[c:5]:[n:6]	4	17884,42592,44825,49692
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:10](:[c:9]):[c:11]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5].[C:6](=[O:7])(-[c:10](:[c:9]):[c:11])-[O:21].[N:8](=[N+:23]=[N-:22])-[P:24](-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)(=[O:25])-[c:26]:2:[c:14]:[c:13]:[c:12]:[c:28]:[c:27]:2	4	17951,17967,17968,17974
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:8](=[O:7])-[c:9]:1:[c:6]:[c:5]:[c:12](:[c:11]:[c:10]:1)-[N+:13](=[O:3])-[O-:4]	4	18076,23540,53657,56486
+[c:1](:[c:2](-[C:3]-[O:4]-[c:5]):[s:6]):[n:7]>>[O:4]-[c:5].[c:1](:[c:2](-[C:3]-[Cl:8]):[s:6]):[n:7]	4	18350,18357,39324,39357
+[C:1]-[C:2]-[O:3]-[C:5](-[C:4])=[O:6]>>[C:1]-[C:2]-[Cl:7].[O:3]-[C:5](-[C:4])=[O:6]	4	18387,32321,44112,44124
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:7](=[O:8])-[N:9]>>[C:7](=[O:8])(-[N:9])-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:1.[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	4	18425,29729,42637,50177
+[C:1](-[C:2]-[O:3])-[N:4]>>[C:1]-1-[C:2]-[O:3]-[C:9](-[N:4]-1-[C:7](-[O:6]-[C:13](-[C:5])(-[C:12])-[C:14])=[O:8])(-[C:10])-[C:11]	4	18566,18610,21980,21981
+[n:1]:1:[c:2](:[c:3](:[c:4]:[n:5]):[c:7](-[c:8](:[c:9]):[c:10]):[c:11]:1):[n:6]>>[n:1]:1:[c:2](:[c:3](:[c:4]:[n:5]):[c:7](:[c:11]:1)-[I:12]):[n:6].[c:8](:[c:9])(:[c:10])-[B:14](-[O:13])-[O:15]	4	18758,27871,27872,34001
+[C:1]-[C:2](-[F:3])-[C:4]>>[C:1]-[C:2](-[C:4])-[O:13].[F:3]-[S:10](-[N:7](-[C:6]-[C:5])-[C:8]-[C:9])(-[F:11])-[F:12]	4	18759,22577,39700,40242
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2](=[O:4])-[O:7]-[C:6]-[C:5].[N:3]-[C:9]=[O:8]	4	19050,32433,32440,44606
+[N:1]-1-[C:2]-[C:3]-[C:4](-[C:5])-[C:6]-[C:7]-1>>[n:1]:1:[c:2]:[c:3]:[c:4](-[C:5]):[c:6]:[c:7]:1	4	19107,57077,57080,57081
+[c:1]-[N:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[O:9]-[S:6](-[C:5])(=[O:7])=[O:8].[c:1]-[N:2]	4	19589,45218,45221,45225
+[C:1]-[C:2](-[C:3])-[S:4]-[C:5](-[C:6])=[O:7]>>[C:1]-[C:2](-[C:3])-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11].[S:4]=[C:5](-[C:6])-[O:7]	4	19872,20405,24997,45857
+[C:1]-[C:2](-[O:3])-[c:4]:[c:5]:[n:6]>>[C:2](=[O:3])-[c:4]:[c:5]:[n:6].[C:1]-[Mg:8]-[Br:7]	4	20274,27637,34097,47587
+[C:1]-[O:2]-[C:3]-[c:4](:[n:5]):[n:6]>>[C:1]-[O:2].[C:3](-[c:4](:[n:5]):[n:6])-[Cl:7]	4	20393,33096,53377,56579
+[N:1](-[C:2](-[C:3])-[c:4])(-[C:6]=[O:5])-[C:7]=[O:8]>>[C:2](-[C:3])(-[c:4])-[O:9].[N:1](-[C:6]=[O:5])-[C:7]=[O:8]	4	20412,20456,36837,38466
+[C:1]-[C:2](=[O:3])-[N:4]-[N:5]>>[C:1]-[C:2](=[O:3])-[N:4]-[N:5]-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	4	20626,20628,20632,24023
+[N:1]-[N:2]>>[N:1]-[N:2]-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]	4	20635,20640,20641,24010
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[N:6]):[n:7]:[o:8]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5]#[N:6])-[F:12].[N:7](-[O:8])-[C:10](-[C:9])=[O:11]	4	20708,39974,41349,41489
+[C:1]-[C:2](-[N:3]=[N+:6]=[N-:5])-[C:4]>>[C:1]-[C:2](-[C:4])-[O:7].[N-:3]=[N+:6]=[N-:5]	4	20872,29524,36463,47953
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:19]-[C:17](-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15])=[O:18].[c:1]-[C:2]=[O:20].[N:3]-[C:4]	4	20912,21005,21183,21291
+[C:1](-[N:2]-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10])=[N:3]>>[C:4]-[C:5](-[C:6])(-[C:7])-[O:8]-[C:9](=[O:10])-[O:18]-[C:16](-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14])=[O:17].[C:1](-[N:2])=[N:3]	4	20981,21086,21103,21126
+[c:1]:1(:[n:2]:[c:3]:[c:4]:[o:5]:1)-[Cl:6]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[o:5]:1.[Cl:6]-[C:11](-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10])(-[Cl:12])-[Cl:13]	4	21459,29501,34817,34819
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:7](=[O:6])-[O:8]-[C:9]-[C:10]-1-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]-1:3	4	21628,49858,49865,55806
+[C:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:6]=[O:7]>>[C:1]-[C:2]-[O:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:18](:[c:16]:[c:15]:1)-[C:17])(=[O:12])=[O:13].[N:3](-[C:4]=[O:5])-[C:6]=[O:7]	4	21679,24379,53981,55447
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[c:4])-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9]	4	22143,23955,28789,45233
+[C:1]-[C:2]=[C:3]>>[C:1]-[C:2]=[O:22].[C:3]-[P+:7](-[c:6]:1:[c:5]:[c:4]:[c:23]:[c:21]:[c:20]:1)(-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3	4	22220,53687,54261,55461
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5])-[c:6]>>[C:1]-[N:2]-[c:6].[C:3](=[O:4])(-[N:5])-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10](-[N+:8](=[O:7])-[O-:9]):[c:16]:[c:15]:1	4	22373,24313,52956,55076
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2]=[C:3](-[C:7])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17].[c:4](:[c:5])(:[c:6])-[B:8](-[O:9])-[O:18]	4	22421,22422,38205,38206
+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[C:8]):[o:9]:1>>[n:1]:[c:2]:[c:3]-[C:4](-[N:5]-[N:6]-[C:7](-[C:8])=[O:10])=[O:9]	4	22559,48957,51072,51250
+[c:1]-[S:2](-[C:3])(=[O:4])=[O:5]>>[c:1]-[S:2](-[C:3])=[O:5].[O:4]=[C:8](-[O:7]-[O:6])-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13](-[Cl:14]):[c:15]:1	4	22609,27805,36669,36708
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[S:7]-[C:8]>>[S:7]-[C:8].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:9]	4	22733,29772,36940,47469
+[n:1]:1:[c:2](-[Cl:3]):[c:4]:[c:5]:[c:6]:1>>[n:1]:1:[c:2]:[c:4]:[c:5]:[c:6]:1.[Cl:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	4	23114,36864,44334,44375
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8]):[n:11]>>[c:1]:[c:2](-[C:3]=[N:4]-[N:5]-[c:6](:[c:7]):[n:10]:[c:9]:[c:8]):[n:11]	4	23637,23800,25292,57311
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5])-[N:6](-[C:7])-[C:8]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5])-[Br:9].[N:6](-[C:7])-[C:8]	4	23645,39482,49514,49515
+[c:1]-[N:2]-1-[C:3]-[C:4]-[O:5]-[C:6]-1=[O:7]>>[c:1]-[N:2]-[C:3]-[C:4]-[O:5].[C:6](=[O:7])(-[Cl:8])-[Cl:9]	4	23722,23723,23724,23725
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1-[C:10]-[c:9]:2:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:2	4	24005,52263,52819,56901
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[N:7]):[s:8]:[c:9]:2:[n:10]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](-[N:5]):[c:9]:[n:10]:1.[C:6](#[N:7])-[S:8]	4	24086,26202,47470,47484
+[O:1]-[C:2](=[O:3])-[C:4]>>[C:2](=[O:3])-[C:4].[O:1]	4	24142,33961,40022,41587
+[n:1]:[c:2]:[c:3]-[C:4]-[C:5](=[O:6])-[O:7]>>[n:1]:[c:2]:[c:3]-[C:4](-[C:5](=[O:6])-[O:7])=[O:8]	4	24145,45681,46025,46026
+[c:1](:[c:2]-[O:3]):[n:4]>>[c:1](:[c:2]-[O:3]-[C:6](-[C:5])=[O:7]):[n:4]	4	24258,43606,44075,49005
+[C:1]-[C:3](-[c:2])(-[c:4](:[c:5]):[c:6])-[O:7]>>[c:4](:[c:5])(:[c:6])-[Br:8].[C:1]-[C:3](-[c:2])=[O:7]	4	25259,25674,36825,52682
+[C:1]-[n:2]:1:[n:3]:[c:4]:[c:5]:[c:7]:1:[c:6]>>[n:2]:1:[n:3]:[c:4]:[c:5]:[c:7]:1:[c:6].[C:1]-[I:8]	4	25270,26849,31388,31598
+[c:1]:[c:2](:[c:3])-[B:6](-[O:4])-[O:5]>>[c:1]:[c:2](:[c:3])-[Br:7].[O:4]-[B:6](-[O:5])-[O:9]-[C:8]	4	25472,43089,43095,43096
+[c:1](-[C:2](=[O:3])-[O:6]):[c:4]:[n:5]>>[c:1](-[C:2]#[N:7]):[c:4]:[n:5].[O:6]-[C:9]-[C:8].[O:3]	4	25504,27649,28775,30328
+[O:1]-[C:2](=[O:3])-[C:4](=[O:5])-[C:6]-[c:7]>>[C:6]-[c:7].[O:1]-[C:2](=[O:3])-[C:4](=[O:5])-[O:10]-[C:9]-[C:8]	4	25526,30889,30892,30918
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[C:2]#[N:3].[N+:4](=[N-:5])=[N:6]-[Si:8](-[C:7])(-[C:9])-[C:10]	4	25618,34147,34148,34150
+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[C:7]-1=[C:8]-[N:9]>>[c:1]-[C:2]=1-[N:3]-[N:4]-[C:5](=[O:6])-[C:7]=1.[C:8](-[N:9])(-[O:10]-[C:13])-[O:11]-[C:12]	4	25676,43167,43182,43183
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2]-[O:7].[Cl:3]-[C:5](-[Cl:4])-[Cl:6]	4	25715,34486,35000,35004
+[c:1]:[c:2](-[N:3]-[S:4](=[O:5])(=[O:6])-[c:7]):[n:8]>>[c:1]:[c:2](-[N:3]):[n:8].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:9]	4	25774,34682,45476,55587
+[c:1]:[c:2](-[N+:3](=[O:4])-[O-:5]):[c:6]>>[c:1]:[c:2]:[c:6].[N+:3](=[O:4])=[O:5]	4	25855,37222,39092,46324
+[O:1]=[C:2](-[C:3])-[O:4]>>[O:1]=[C:2](-[C:3])-[O:4]-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7](-[O:6]-[C:5]):[c:13]:[c:12]:1	4	25870,54408,54414,56515
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2](=[O:4])-[Cl:5].[N:3]	4	25871,26109,28615,40915
+[C:1]-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[c:9]:1-[C:10](=[O:11])-[O:12]>>[C:1]-[C:2]#[C:9]-[C:10](=[O:11])-[O:12].[N:3]-[n+:4](:[c:5]:[c:6]):[c:8]:[c:7]	4	26039,26364,30534,30548
+[c:1]:[c:2](-[N:3]-[c:4](:[c:5]):[c:6]):[s:7]>>[c:1]:[c:2](-[N:3]):[s:7].[c:4](:[c:5])(:[c:6])-[Br:8]	4	26080,42564,42565,42566
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]-[O:7]-[c:8]>>[O:7]-[c:8].[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]-[Cl:9]	4	26105,27673,39325,51428
+[c:1]:1:[c:2]:[c:3]:[c:4](-[Cl:5]):[s:6]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[s:6]:1.[Cl:5]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	4	26207,44343,44366,44371
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8]>>[C:5](=[C:6])(-[C:7])-[C:8].[C:1]-[C:2](=[O:3])-[O:4]	4	26222,26234,26235,26237
+[C:1](=[O:2])-[O:3]-[C:4](-[C:5])(-[C:6])-[C:7]>>[C:4](-[C:5])(=[C:6])-[C:7].[C:1](=[O:2])-[O:3]	4	26231,26232,26233,26238
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[c:10]:1-[C:11]>>[C:1]-[C:2](-[C:10](-[C:8](=[O:9])-[O:14]-[C:13]-[C:12])-[C:11])=[O:15].[N:3]-[c:4](:[c:5]):[c:7]:[c:6]	4	26513,42601,42602,42603
+[n:1]:[c:2](-[C:3]-[Cl:5]):[n:4]>>[n:1]:[c:2](-[C:3]-[O:9]):[n:4].[Cl:5]-[S:7](=[O:6])-[Cl:8]	4	26720,35566,35707,35748
+[c:1]-[C:2](=[O:3])-[C:4](-[F:5])(-[F:6])-[F:7]>>[c:1]-[C:2](-[O:3])-[C:4](-[F:5])(-[F:6])-[F:7]	4	26757,37633,37635,37830
+[C:1](-[C:2]-[O:8]-[S:5](-[C:4])(=[O:6])=[O:7])=[C:3]>>[C:1](-[C:2]-[O:8])=[C:3].[C:4]-[S:5](=[O:6])(=[O:7])-[Cl:9]	4	26770,39105,39113,39733
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[s:6]:1):[c:7]):[c:8]>>[c:1]-[C:2](-[N:3]-[c:4](:[c:5]:[c:7]):[c:8])=[S:6]	4	26851,50735,51970,53777
+[c:1]:[c:2](-[C:3]=[O:4]):[o:5]>>[c:1]:[c:2](-[C:3]-[O:4]):[o:5]	4	26852,50219,55803,57368
+[n:1]:[c:2](-[C:3]-[N:4](-[C:7]=[O:6])-[C:8]=[O:9]):[c:5]>>[n:1]:[c:2](-[C:3]-[O:10]):[c:5].[N:4](-[C:7]=[O:6])-[C:8]=[O:9]	4	26861,39116,46996,48948
+[C:1]-[C:2](-[C:3])-[n:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:1>>[C:1]-[C:2](-[C:3])-[I:9].[n:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:1	4	26906,26924,26930,26942
+[C:1]-[n:2]:1:[n:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:1]-[N:2]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7].[N:3](=[O:9])-[O:10]	4	27127,33389,39671,47204
+[c:1]:[c:2](-[C:3]-[O:5]):[o:4]>>[c:1]:[c:2](-[C:3](-[O:5])=[O:6]):[o:4]	4	27291,44198,57360,57365
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:3]-[C:4](-[c:5])=[N:6]-[O:9].[c:1]-[C:2](-[O:7])=[O:8]	4	27322,38719,51818,53564
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[n:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:2:[c:11]):[n:12]:1>>[n:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:1:[c:11].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:12]:1)-[Cl:13]	4	27551,36873,36875,51617
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Br:10].[c:3]:1(:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1)-[B:12](-[O:11])-[O:13]	4	27586,44670,46787,46788
+[c:1]-[C:2]-[c:3]:[c:5]:[n:4]>>[c:1]-[C:2](-[c:3]:[c:5]:[n:4])-[O:6]	4	27747,28642,57073,57074
+[c:1]:[c:2](-[C:3]#[N:4]):[c:5]:[n:6]>>[c:1]:[c:2](:[c:5]:[n:6])-[I:7].[C:3]#[N:4]	4	27776,31148,41014,41015
+[c:1]:1:[c:2]:[s:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[s:3]:[c:4](:[n:5]:1)-[N:6]	4	27797,30007,30288,55699
+[c:1]-1:[c:2]-[B:3](-[O:4])-[O:5]-[C:6]-1>>[c:1](:[c:2]-[B:3]-1-[O:4]-[C:11](-[C:8](-[C:7])(-[C:9])-[O:10]-1)(-[C:12])-[C:13])-[C:6]=[O:5]	4	28333,28944,29043,29044
+[C:1]=[C:2](-[c:3](:[c:4]):[c:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[c:3](:[c:4])(:[c:5])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[C:1]=[C:2](-[C:6](-[F:7])(-[F:8])-[F:9])-[Br:10]	4	28353,28998,28999,29035
+[c:1]:[c:2]:[n:3]:1:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[n:9]:[c:10]:1:[c:11]>>[c:5](:[c:6])(:[c:7])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21].[c:1]:[c:2]:[n:3]:1:[c:4](:[c:8]:[n:9]:[c:10]:1:[c:11])-[Br:12]	4	28445,28474,29102,29109
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[n:9]:2):[c:10]:[n:11]:1>>[n:1]:1:[c:2]:[c:3](:[c:10]:[n:11]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[n:9]:1)-[Cl:21]	4	28517,28531,28987,29267
+[C:1]-[N:2](-[C:3])-[C:4]>>[N:2](-[C:3])-[C:4].[C:1](=[O:5])-[O:6]	4	28883,46907,46913,46916
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2].[O:3](-[O:6]-[C:5](=[O:4])-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)-[C:7](=[O:8])-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2	4	28900,29300,29456,49170
+[c:1]:[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:[c:7]:1:[c:8])-[O:9]>>[c:1]:[c:2]:[c:7](-[N:6]-[C:5]=[C:4]-1-[C:3](=[O:9])-[O:13]-[C:15](-[O:10]-[C:11]-1=[O:12])(-[C:14])-[C:16]):[c:8]	4	29304,29306,29308,44503
+[C:1]-[C:2]-[C:3](-[O:4]-[C:5])=[O:6]>>[O:4]-[C:5].[C:1]-[C:2]-1-[C:3](=[O:6])-[O:13]-[C:8](-[C:7])(-[C:9])-[O:10]-[C:11]-1=[O:12]	4	29309,30397,30477,30487
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2](=[O:3])-[C:5].[O:4]	4	29447,42902,42903,42932
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:9]:[c:6](:[n:5]:1)-[O:7]-[c:8]>>[c:1]:[c:4]:1:[c:3](:[c:2]):[n:9]:[c:6](:[n:5]:1)-[Cl:10].[O:7]-[c:8]	4	29735,29736,33970,36016
+[C:1]-[C:2](-[C:3]-[C:4]=[O:5])=[O:6]>>[C:1]-[C:2](=[O:6])-[O:9]-[C:8]-[C:7].[C:3]-[C:4]=[O:5]	4	29770,30530,30531,35875
+[C:1]-[n:2]:1:[n:3]:[c:4](-[C:5](=[O:9])-[O:10]):[c:6]:[c:7]:1-[C:8]>>[C:1]-[N:2]-[N:3].[C:4](-[C:5](=[O:9])-[O:10])(-[C:6]-[C:7](-[C:8])=[O:12])=[O:11]	4	29906,36010,42325,42333
+[n:1]:[c:2]:[c:3]:[c:4]>>[n:1]:[c:2]:[c:3](:[c:4])-[C:6]#[N:5]	4	29936,34269,41352,51130
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])=[C:7]-[c:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[C:5]#[N:6].[C:7](-[c:8])=[O:9]	4	30227,34049,34050,41273
+[C:1](=[O:2])(-[N:3]-[c:4](:[n:5]):[c:7]:[n:6])-[O:8]>>[N:3]-[c:4](:[n:5]):[c:7]:[n:6].[C:1](=[O:2])(-[O:8])-[Cl:9]	4	30773,30800,51854,56954
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+[c:1]:[c:3](:[n:2]):[c:4]:[c:5]>>[c:1]:[c:3](:[n:2]):[c:4](:[c:5])-[Cl:6]	4	31246,51550,52971,55877
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+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1-[Cl:6]>>[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1.[Cl:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	4	31328,35985,44336,44387
+[C:1]-[S:2]-[c:3]>>[C:1]-[I:4].[S:2]-[c:3]	4	31419,31666,31700,31710
+[C:1]-[n:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:1:[n:7]>>[C:1]-[I:8].[n:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:1:[n:7]	4	31467,31568,31582,31615
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:9].[N:7]-[c:8]	4	31903,42678,46046,49631
+[N:1]#[C:2]-[c:3]:1:[c:4]:[c:5](-[c:6]):[c:7](-[c:8]):[n:9]:[c:10]:1-[O:11]>>[C:4](=[C:5](-[c:6])-[C:7](-[c:8])=[O:15])-[N:13](-[C:12])-[C:14].[N:1]#[C:2]-[C:3]-[C:10](-[N:9])=[O:11]	4	31990,41274,41275,41276
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+[n:1]:1:[c:2]:[c:3]:[c:4]:2:[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:2>>[N+:1](-[c:5]:1:[c:4](-[C:3]=[C:2]-[N:11](-[C:10])-[C:12]):[c:9]:[c:8]:[n:7]:[c:6]:1)(=[O:13])-[O-:14]	4	32020,32021,32023,32024
+[C:1](=[O:2])-[c:3]:1:[c:4](:[c:5]):[n:6]:[n:7]:[c:8]:1>>[C:1](=[O:2])-[N:10](-[C:9])-[C:11].[c:3]:1:[c:4](:[c:5]):[n:6]:[n:7]:[c:8]:1	4	32076,32102,32209,32219
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:4]	4	32356,41594,46249,53342
+[n:1]:[c:2]:[c:3]-[C:4]-1=[C:5](-[c:6]:[c:7]:[n:8])-[C:9](=[O:10])-[N:11]-[C:12]-1=[O:13]>>[C:5](-[c:6]:[c:7]:[n:8])-[C:9](=[O:10])-[N:11].[n:1]:[c:2]:[c:3]-[C:4](-[C:12](=[O:13])-[O:15]-[C:14])=[O:16]	4	32448,43913,43936,43937
+[C:1]=[C:2]-[C:3]-[O:4]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:6]-[C:5]	4	32460,40333,50798,51517
+[c:1]:[c:2](-[C:3](=[C:4]-[N:5])-[c:6]):[c:7]>>[C:3](=[C:4]-[N:5])(-[c:6])-[Br:8].[c:1]:[c:2](:[c:7])-[B:10](-[O:9])-[O:11]	4	32543,33422,39372,39384
+[C:1]-[O:2]-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]>>[C:1]-[O:2].[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:8]	4	32794,36968,36971,37901
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5]-1):[n:6]:[c:7]:[c:8]>>[c:1]:[c:2](:[n:6]:[c:7]:[c:8])-[Br:9].[C:3]-1(-[C:4]-[C:5]-1)-[B:11](-[O:10])-[O:12]	4	33236,39998,46362,46384
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+[c:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[c:1]:[c:2]:[c:5].[C:3](=[O:4])-[N:7](-[C:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	4	33320,48794,49077,52855
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+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]:2:[c:7]:[o:8]:[n:9]:[c:10]:2):[o:11]:1>>[c:1]-[C:2](=[O:12])-[O:13].[N:3]-[N:4]-[C:5](-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1)=[O:11]	4	33379,33420,50203,53787
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+[C:1]#[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]#[C:2]-[Si:7](-[C:6])(-[C:8])-[C:9].[c:3](:[c:4])(:[c:5])-[I:10]	4	33694,33794,33829,33837
+[n:1]:[c:3](:[c:2])-[C:4](=[O:5])-[c:6]>>[n:1]:[c:3](:[c:2])-[C:4](-[O:5])-[c:6]	4	33959,38848,56067,57164
+[C:1](=[O:2])(-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[O:8]>>[C:1](=[O:2])-[c:3](:[c:4]:[n:5]):[c:7]:[n:6].[O:8]-[S:10](-[N:9])(=[O:11])=[O:12]	4	33987,34008,34043,34044
+[n:1]:[c:2](-[C:3]=[O:5]):[c:4]>>[n:1]:[c:2](-[C:3](=[O:5])-[N:8](-[O:7]-[C:6])-[C:9]):[c:4]	4	33995,40165,50646,55689
+[c:1](:[c:2](-[C:3](-[N:4])=[O:7]):[n:5]):[n:6]>>[c:1](:[c:2](-[C:3](=[O:7])-[O:9]-[C:8]):[n:5]):[n:6].[N:4]	4	34286,40732,40808,40991
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5]-[c:6]):[o:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[o:7]:1.[C:5](-[c:6])-[Br:8]	4	34293,34294,34295,54752
+[c:1]:[n:9]:[c:4](:[n:3]:[c:2])-[c:5](:[c:6]):[c:8]:[n:7]>>[c:1]:[n:9]:[c:4](:[n:3]:[c:2])-[Cl:10].[c:5](:[c:6])(:[c:8]:[n:7])-[B:12](-[O:11])-[O:13]	4	34655,34656,34657,46482
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:[c:9]:1):[c:10]>>[c:3]:1(:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:[c:9]:1)-[Cl:11].[c:1]:[c:2](:[c:10])-[B:13](-[O:12])-[O:14]	4	34714,34715,39919,53890
+[C:1]=[N:2]-[O:3]-[C:4]-[c:5]>>[C:1]=[N:2]-[O:3].[C:4](-[c:5])-[Br:6]	4	34934,39442,39444,39446
+[C:1]-[c:2]:1:[c:3]:[o:4]:[c:5](-[C:6]=[C:7]):[n:8]:1>>[O:4]=[C:5](-[C:6]=[C:7])-[N:8].[C:1]-[C:2](-[C:3]-[Cl:10])=[O:9]	4	35033,35035,35036,35040
+[n:1]:[c:2](-[C:3]-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1):[c:9]:[n:10]>>[n:1]:[c:2](-[C:3]-[Cl:11]):[c:9]:[n:10].[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1	4	35138,35139,43306,48193
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1):[o:7])-[Cl:8]>>[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1):[o:7])-[O:13]	4	35417,35418,35435,35468
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+[C:1](=[O:2])-[O:6]-[C:5](=[N:4]-[c:3])-[c:7](:[c:8]):[n:9]>>[C:1](=[O:2])-[O:6].[c:3]-[N:4].[C:5](-[c:7](:[c:8]):[n:9])(=[O:10])-[O:11]	4	35991,39958,42425,42508
+[c:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6](-[C:7](-[O:8])=[O:10]):[s:9]:1>>[c:1]-[C:2](-[N:3])=[S:9].[C:4](-[C:5])(-[C:6](-[C:7](-[O:8])=[O:10])-[Cl:12])=[O:11]	4	36129,39404,41990,43359
+[c:1]:[c:2](-[C:3]-1=[C:4]-[N:5]-[C:6]-[C:7]=[C:8]-1):[c:9]>>[C:3]-1(=[C:4]-[N:5]-[C:6]-[C:7]=[C:8]-1)-[Br:11].[c:1]:[c:2](:[c:9])-[B:13](-[O:10])-[O:12]	4	36134,38066,41574,54162
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+[n:1]:[c:2](-[S:3](-[C:4])=[O:5]):[s:6]>>[O:5]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1.[n:1]:[c:2](-[S:3]-[C:4]):[s:6]	4	36627,36676,36706,36712
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+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1>>[c:1]:1:[c:2](:[c:3]:[n:4]:[n:5]:1)-[C:9](-[O:8]-[C:7]-[C:6])=[O:10]	4	38463,38788,51887,55115
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+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7](-[c:8])(-[c:9])-[c:10]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1.[C:7](-[c:8])(-[c:9])(-[c:10])-[Cl:11]	4	40591,40592,50832,52091
+[c:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[I:9].[c:1]-[N:2]	4	40593,42693,48603,48604
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[O:6]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[F:7].[O:6]	4	40623,42931,42981,43011
+[c:1]-[c:2]:1:[c:3]:[n:4](-[c:5]):[n:6]:[n:7]:1>>[N:4](-[c:5])=[N+:6]=[N-:7].[c:1]-[C:2]#[C:3]	4	41232,47893,52791,53629
+[c:1]-[N:2]=[C:3]-[N:4]>>[c:1]-[N:2].[C:3](-[N:4])(-[O:6]-[C:5])-[O:7]-[C:8]	4	41347,42604,42690,43178
+[C:1](=[O:2])(-[c:3])-[N:5](-[O:4])-[C:6]>>[O:4]-[N:5]-[C:6].[C:1](=[O:2])(-[c:3])-[Cl:7]	4	41503,41522,41536,41537
+[N:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:1]=[C:2]=[O:3].[N:4]-[C:5]	4	41737,41738,41741,41745
+[c:1]-[N:2]-[C:3](-[N:4])=[O:5]>>[C:3](=[N:4])=[O:5].[c:1]-[N:2]	4	41739,41740,41742,41744
+[N-:1]=[N+:2]=[N:3]-[C:4]=[O:5]>>[N:2]-[N:3]-[C:4]=[O:5].[N:1](=[O:6])-[O:7]	4	42347,42360,45896,47245
+[C:1]-1(-[N:2]-[c:3]:[c:4]-[N:5]-1)=[O:6]>>[N:2]-[c:3]:[c:4]-[N:5].[C:1](=[O:6])(-[n:14]:1:[c:10]:[n:11]:[c:12]:[c:13]:1)-[n:15]:2:[c:9]:[n:8]:[c:7]:[c:16]:2	4	42471,42700,49534,51710
+[n:1]:[c:2]:[c:5](-[C:4]#[C:3]):[c:6]>>[n:1]:[c:2]:[c:5](:[c:6])-[I:7].[C:3]#[C:4]	4	42799,42814,48685,49041
+[c:1]:[c:2](-[C:3]=[O:4]):[n:5]>>[O:4].[c:1]:[c:2](-[C:3]):[n:5]	4	42939,42940,42948,42993
+[C:1]-[C:2](-[C:3](-[O:4])=[O:6])-[C:5]>>[C:1]-[C:2](-[C:3](-[O:4])=[O:6])(-[C:5])-[C:10](-[O:9]-[C:8]-[C:7])=[O:11]	4	43019,54179,54812,56962
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[B:3](-[O:4]-[C:9])(-[O:5]-[C:10])-[O:8]-[C:7].[c:1]:[c:2](:[c:6])-[I:11]	4	43085,43088,43101,43102
+[C:1]-[C:7]=[C:5](-[C:3](-[N:2])=[O:4])-[O:6]>>[C:1]-[C:7]=[C:5](-[C:3](-[N:2])=[O:4])-[O:6]-[C:8]	4	43229,52320,53387,55602
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[C:6]=[O:5].[O:3]-[O:7]	4	43266,44701,47257,47320
+[n:1]:[c:2](-[C:3]=[O:5]):[n:4]>>[n:1]:[c:2](-[C:3]-[O:5]):[n:4]	4	43301,49211,52136,55863
+[c:1]-[c:2]:1:[c:3]:[n:4]:[c:5]:[o:6]:1>>[c:1]-[C:2]=[O:6].[C:3](-[N+:4]#[C-:5])-[S:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[C:7]):[c:16]:[c:15]:1)(=[O:13])=[O:14]	4	44669,48468,51308,54131
+[c:1]-[C:2]-[N:3]=[N+:4]=[N-:5]>>[N-:3]=[N+:4]=[N-:5].[c:1]-[C:2]-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9]	4	45234,45235,45880,47997
+[O:1]=[S:2](=[O:3])(-[c:4](:[c:5]):[c:6])-[c:7]>>[O:1]=[S:2](=[O:3])(-[c:7])-[Cl:8].[c:4](:[c:5]):[c:6]	4	45472,46044,50546,52256
+[O:1]=[C:2](-[C:3]=[C:4])-[N:5]-[O:6]>>[O:1]=[C:2](-[C:3]=[C:4])-[Cl:7].[N:5]-[O:6]	4	45673,45691,46145,47086
+[c:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[c:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:7](:[c:6])-[N:8]	4	46079,51919,55418,55443
+[c:1]-[C:2]-1-[C:3]-[C:4]-[C:5]-[N:6]-[C:8]-1=[N:7]>>[c:1]-[C:2]-1=[C:3]-[C:4]=[C:5]-[N:6]-[C:8]-1=[N:7]	4	46290,54071,54072,54073
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:[c:9]:1>>[c:5](:[c:6])(:[c:7])-[B:12](-[O:11])-[O:13].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:8]:[c:9]:1)-[Br:10]	4	46421,46536,51907,53405
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[B:6](-[O:5])-[O:7].[O:3]-[O:8]	4	46441,46553,46561,46601
+[c:1]:1:[n+:2]:[c:3]:[c:4]:[c:5](:[c:6]:1)-[N+:8](=[O:7])-[O-:9]>>[O:7]=[N+:8](-[O-:9])-[O:10].[c:1]:1:[n+:2]:[c:3]:[c:4]:[c:5]:[c:6]:1	4	47593,47598,47615,47654
+[N:1](-[C:2]-[c:3](:[n:4]):[c:5])=[N+:7]=[N-:6]>>[N-:1]=[N+:7]=[N-:6].[C:2](-[c:3](:[n:4]):[c:5])-[Br:8]	4	47912,47915,47920,48030
+[c:1]:[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[c:1]:[c:2](:[n+:3](:[c:4]:[c:5])-[O-:7]):[c:6]	4	48117,49234,50744,56272
+[C:1](-[C:2](-[N:3])=[O:7])-[C:4](-[C:5])=[O:6]>>[C:1](-[C:2](-[N:3])=[O:7])-[C:4](-[C:5])-[O:6]	4	48524,52270,55184,56236
+[c:1]:[c:2](-[C:3]-[c:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[I:6].[C:3](-[c:4])-[Zn+:7]	4	50895,51054,52781,54440
+[c:1]-[C:2]-[C:3]-[C:4]=[O:5]>>[c:1]-[C:2]=[C:3]-[C:4]=[O:5]	4	51927,53442,54096,55034
+[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:2:[c:7]:1:[c:8]:[c:10](:[c:9]):[n:11]:2>>[O:1]=[C:2]-1-[C:3]-[C:4]-[C:5]-[c:6]:2:[c:7]-1:[c:8]:[c:10](:[c:9]):[n:11]:2	4	52808,52809,52813,54608
+[n:1]:[c:2]:[c:3](-[C:4]-[O:5]-[c:6]):[n:7]>>[O:5]-[c:6].[n:1]:[c:2]:[c:3](-[C:4]-[Cl:8]):[n:7]	4	52932,55041,56104,57085
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[C:5](-[c:6])(=[O:8])-[Cl:9].[c:1]-[C:2](=[N:3]-[O:4])-[N:7]	4	53529,53567,55508,56801
+[C:1](=[O:2])-[N:3]-[N:4]=[C:5](-[C:6](=[O:7])-[N:8])-[c:9]>>[C:1](=[O:2])-[N:3]-[N:4].[C:5](-[C:6](=[O:7])-[N:8])(-[c:9])=[O:10]	4	53620,53764,53765,53779
+[C:1](=[O:2])-[C:3](-[O:4])=[C:5]-[O:6]>>[C:1](=[O:2])-[C:3](-[O:4]-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1)=[C:5]-[O:6]	4	55239,55432,56572,57003
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6]-[Br:7]>>[Br:7].[O:4]-[C:5]-[C:6]-[O:9].[C:1]-[C:2](=[O:3])-[O:8]	3	12,17,72
+[C:1]-[C:2]-[Br:3]>>[Br:3].[C:1]-[C:2]-[O:8]-[S:5](-[C:4])(=[O:6])=[O:7]	3	19,78,113
+[C:1](-[C:2](-[c:3])-[Br:5])=[O:4]>>[Br:5].[C:1](-[C:2]-[c:3])=[O:4]	3	21,93,106
+[c:1](:[n:2]:[c:3]:[c:4])(:[c:5])-[Br:6]>>[Br:6].[c:1](:[n:2]:[c:3]:[c:4])(:[c:5])-[N:7]	3	67,68,98
+[c:1]:1(:[n:2]:[c:3](-[c:4]):[c:5]:[s:6]:1)-[Br:7]>>[Br:7].[C:1](#[N:2])-[S:6]-[C:5]-[C:3](-[c:4])=[O:8]	3	79,91,105
+[c:1]-[C:2](-[c:3])-[Br:4]>>[Br:4].[c:1]-[C:2](-[c:3])-[O:5]	3	87,90,92
+[N:1]-[C:2]=[C:3](-[c:4])-[Br:5]>>[Br:5]-[Br:6].[N:1]-[C:2]=[C:3]-[c:4]	3	145,223,224
+[C:1]-[C:2](=[O:3])-[C:4](-[Br:5])-[O:6]>>[Br:5]-[Br:7].[C:1]-[C:2](=[O:3])-[C:4]-[O:6]	3	190,192,425
+[c:1](:[n:2]:[c:3](:[c:4])-[Br:6]):[c:5]>>[Br:6]-[Br:7].[c:1](:[n:2]:[c:3](:[c:4])-[N:8]):[c:5]	3	220,285,309
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[Br:4].[c:1]-[C:2]	3	226,336,427
+[c:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:4](=[O:5])(-[C:6])-[Br:7].[c:1]-[N:2]-[C:3]	3	605,618,619
+[c:1]:1:[c:2]:[n:3](-[C:4]-[C:5](=[O:6])-[O:7]):[c:8]:[c:9]:1>>[C:4](-[C:5](=[O:6])-[O:7])-[Br:10].[c:1]:1:[c:2]:[n:3]:[c:8]:[c:9]:1	3	676,18111,28821
+[O:1]=[C:2](-[C:3]-[N:4](-[C:5])-[c:6])-[O:7]>>[O:1]=[C:2](-[C:3]-[Br:8])-[O:7].[N:4](-[C:5])-[c:6]	3	689,18497,30714
+[c:1]-[O:2]-[C:6]-[C:3](-[C:4])=[C:5]>>[C:3](-[C:4])(=[C:5])-[C:6]-[Br:7].[c:1]-[O:2]	3	715,717,719
+[c:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-1>>[C:3](-[C:4]-[C:5]-[C:6]-[Br:8])-[Br:7].[c:1]-[N:2]	3	829,836,841
+[C:1]-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]>>[C:3](-[C:4])-[Br:7].[C:5]-[C:6]-[Br:8].[C:1]-[N:2]	3	885,897,2090
+[c:1]-[C:2](-[C:3]#[N:4])(-[C:5]-[C:6])-[C:8]-[C:7]>>[C:5](-[C:6])-[Br:9].[C:7]-[C:8]-[Br:10].[c:1]-[C:2]-[C:3]#[N:4]	3	886,896,2087
+[N:1](-[C:2]-[c:3]:[c:4]:[n:5])=[N+:7]=[N-:6]>>[C:2](-[c:3]:[c:4]:[n:5])-[Br:8].[N-:1]=[N+:7]=[N-:6]	3	907,40596,47931
+[Br:1]-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:[c:7]:1>>[Br:1]-[P:9](=[O:8])(-[Br:10])-[Br:11].[c:2]:1(:[c:3]:[n:4]:[n:5]:[c:6]:[c:7]:1)-[O:12]	3	918,920,921
+[C:1]-[C:2](=[C:3]-[C:4]-[Br:6])-[C:5]>>[Br:6]-[P:8](-[Br:7])-[Br:9].[C:1]-[C:2](=[C:3]-[C:4]-[O:10])-[C:5]	3	932,943,945
+[c:1]:[c:2](-[C:3]-[Br:4]):[n:5]>>[Br:4]-[P:7](-[Br:6])-[Br:8].[c:1]:[c:2](-[C:3]-[O:9]):[n:5]	3	978,980,1022
+[c:1]-[C:2](-[C:3])-[Br:4]>>[Br:4]-[P:6](-[Br:5])-[Br:7].[c:1]-[C:2](-[C:3])-[O:8]	3	989,1001,1002
+[n:1]:[c:2](-[C:3](=[O:4])-[c:5](:[c:6]):[c:7]):[n:8]>>[c:5](:[c:6])(:[c:7])-[Mg:10]-[Br:9].[n:1]:[c:2](-[C:3](=[O:4])-[O:13]-[C:12]-[C:11]):[n:8]	3	1028,50249,55490
+[c:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1>>[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1.[c:1]-[C:2]-[Cl:8]	3	1038,51119,52286
+[c:1]-[N:2](-[C:3](=[O:4])-[C:5])-[c:8](:[c:6]):[c:7]>>[c:1]-[N:2]-[C:3](=[O:4])-[C:5].[c:6]:[c:8](:[c:7])-[Br:9]	3	1082,50335,51333
+[c:1]:[c:2]:[n:3]:[c:4](-[c:5]:1:[c:6]:[n:7]:[c:8]:[s:9]:1):[c:10]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:10])-[Br:11].[c:5]:1:[c:6]:[n:7]:[c:8]:[s:9]:1	3	1088,9232,39089
+[c:1]:[c:2]:1-[C:3](=[O:4])-[N:5](-[c:6](:[c:7]):[c:8])-[C:9]=[C:10]-[c:11]:1:[c:12]>>[c:6](:[c:7])(:[c:8])-[Br:13].[c:1]:[c:2]:1:[c:3](-[O:4]):[n:5]:[c:9]:[c:10]:[c:11]:1:[c:12]	3	1107,49412,51029
+[O:1]=[C:2]-[N:4](-[C:3])-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]>>[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Br:10].[O:1]=[C:2]-[N:4]-[C:3]	3	1130,28865,49625
+[c:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[c:3](:[c:4])(:[c:5])-[I:7].[c:1]-[N:2]-[C:6]	3	1136,46122,54830
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]):[c:8]):[c:9]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[Br:10].[c:6](:[c:7])(:[c:8])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	3	1171,1176,29033
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:9]-[C:8].[c:1]-[N:2]	3	1186,17888,37396
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[n:7]:1):[s:8]>>[c:1]:[c:2](-[C:3](-[N:7])=[O:14]):[s:8].[N:4]-[N:5].[C:6](-[O:9]-[C:10])(-[N:11](-[C:12])-[C:13])-[O:16]-[C:15]	3	1189,42146,42149
+[C:1]-[N:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[s:7]:1)-[C:8]>>[c:3]:1(:[n:4]:[n:5]:[c:6]:[s:7]:1)-[Br:9].[C:1]-[N:2]-[C:8]	3	1234,1532,28685
+[C:1]#[C:2]-[C:3](-[O:4])(-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[C:6].[C:1]#[C:2]	3	1259,1261,2878
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:7]:[n:6]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7]:[n:6])-[I:8]	3	1262,1411,8911
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6](-[C:7]):[n:8]:[n:9]:1>>[N:6](-[C:7])=[N+:8]=[N-:9].[O:1]-[C:2](=[O:3])-[C:4]#[C:5]	3	1270,1285,21491
+[c:1]:[c:2]:1:[c:3](:[c:4]:[n:5]:[n:6]:1:[c:7]:[c:8])-[C:10](-[O:9])=[O:11]>>[c:1]:[c:2]:[n+:6](-[N:5]):[c:7]:[c:8].[C:3](#[C:4])-[C:10](-[O:9])=[O:11]	3	1271,1274,1282
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[C:8]#[C:7])=[O:9]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[C:8]#[C:7])-[O:9]	3	1287,55110,55690
+[C:1]#[C:2]-[C:3]-[C:4](-[C:5])(-[C:6])-[O:7]>>[C:4](-[C:5])(-[C:6])=[O:7].[C:1]#[C:2]-[C:3]-[Br:8]	3	1308,1309,1314
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]:[c:6]:[s:8]):[c:7]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5]:[c:6]:[s:8])(:[c:7])-[O:12]-[S:10](=[O:9])(=[O:11])-[C:13](-[F:14])(-[F:15])-[F:16]	3	1349,1350,1361
+[C:1]-[c:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[C:1]-[C:2]#[C:3].[C:4](-[c:5])(=[N:6]-[O:7])-[Cl:8]	3	1393,48920,49805
+[C:1]-[C:2]#[C:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[C:1]-[C:2]#[C:3].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:9]	3	1417,6654,20434
+[C:1]#[C:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1>>[C:1]#[C:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[n:7]:1)-[I:8]	3	1431,34090,39390
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5](-[C:6]#[C:7]):[n:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5](:[n:8]:1)-[Br:9].[C:6]#[C:7]	3	1436,27022,51253
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]#[C:6]):[c:7]>>[C:5]#[C:6].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[Cl:8]	3	1438,28774,36020
+[C:1]-[n:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[n:7]:1>>[C:3]#[C:4]-[c:5].[C:1]-[N:2]=[N+:7]=[N-:6]	3	1449,3951,48726
+[c:1]:[c:2](-[C:3]#[C:4]):[n:5]:[n:6]>>[C:3]#[C:4].[c:1]:[c:2](:[n:5]:[n:6])-[I:7]	3	1450,12872,13003
+[C:1]-[C:2]#[C:3]-[C:4]-[C:5]>>[C:1]-[C:2]#[C:3].[C:4](-[C:5])-[Br:6]	3	1454,4118,16269
+[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[N:6]-[c:7]>>[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[O:8].[N:6]-[c:7]	3	1465,13218,14073
+[c:1]-[c:2]:1:[n:3]:[n:4](-[C:5]):[c:6](-[N:7]):[c:8]:1-[C:9]#[N:10]>>[c:1]-[C:2](=[C:8](-[C:6]#[N:7])-[C:9]#[N:10])-[O:12]-[C:11].[N:3]-[N:4]-[C:5]	3	1477,52496,55356
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[C:2]#[N:6].[N:3](=[N+:4]=[N-:5])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:7]-[C:8]	3	1509,3995,3999
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[c:6](:[c:7]):[c:8]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:5].[c:6](:[c:7])(:[c:8])-[O:9]	3	1592,29844,44169
+[C:1](-[C:2]-[C:3])=[O:4]>>[C:1](=[C:2]-[C:3])-[O:4]-[C:5]	3	1599,9295,25863
+[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7]>>[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[Cl:8].[O:6]-[C:7]	3	1604,1605,1606
+[C:1]-[C:2]-[c:3](:[c:4]):[o:5]>>[C:1]-[C:2](-[c:3](:[c:4]):[o:5])=[O:6]	3	1630,51142,57355
+[c:1]:[c:2](-[N+:3](=[O:7])-[O-:8]):[c:4]:[c:5]:[o:6]>>[c:1]:[c:2]:[c:4]:[c:5]:[o:6].[N+:3](-[O:7])(-[O-:8])=[O:9]	3	1631,47707,47722
+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1:[c:6]>>[c:1]:1:[c:2]:[n:3]:[n:4](:[c:5]:1:[c:6])-[C:8](-[C:7])=[O:9]	3	1634,1635,49473
+[C:1]=[C:2]-[C:3](-[C:4](-[F:5])(-[F:6])-[C:7](-[F:8])(-[F:9])-[F:10])=[O:11]>>[C:1]=[C:2]-[C:3](=[O:11])-[N:14](-[O:13]-[C:12])-[C:15].[C:4](-[F:5])(-[F:6])(-[C:7](-[F:8])(-[F:9])-[F:10])-[I:16]	3	1729,37460,37461
+[O:1]=[C:2]-1-[C:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8](=[O:9])-[N:10]-1-[c:11]>>[O:1]=[C:2](-[C:3]-[C:4](=[O:5])-[O:13])-[O:12].[N:6](-[C:7])-[C:8](=[O:9])-[N:10]-[c:11]	3	1751,1753,1772
+[C:1](=[O:2])(-[c:3]:1:[c:4](-[C:5]):[o:6]:[n:7]:[c:8]:1-[c:9])-[O:10]>>[C:1](=[O:2])(-[C:3]#[C:4]-[C:5])-[O:10].[O:6]-[N:7]=[C:8](-[c:9])-[Cl:11]	3	1783,30544,30545
+[c:1]:[c:2](-[C:3]-[C:4](=[O:6])-[O:7]):[n:5]>>[c:1]:[c:2](-[C:3](-[C:4](=[O:6])-[O:7])-[C:11](-[O:10]-[C:9]-[C:8])=[O:12]):[n:5]	3	1870,3159,44245
+[c:1]-[C:2]=[C:3]-[C:4]#[N:5]>>[c:1]-[C:2]=[O:14].[C:3](-[C:4]#[N:5])-[P:9](-[O:8]-[C:7]-[C:6])(=[O:10])-[O:11]-[C:12]-[C:13]	3	1888,36167,43432
+[c:1]:[c:2]:1:[n:3]:[n:4](-[C:5]):[c:6]:[c:7]:1>>[c:1]:[c:2]:1:[n:3]:[n:4]:[c:6]:[c:7]:1.[C:5]-[O+:9](-[C:8])-[C:10]	3	1901,33642,33643
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:10].[N:6]-[c:7](:[n:8]):[c:9]	3	1903,37928,49691
+[c:1](-[C:2](=[O:3])-[Cl:6]):[c:4]:[n:5]>>[Cl:6]-[C:10](-[C:8](=[O:7])-[Cl:9])=[O:11].[c:1](-[C:2](=[O:3])-[O:12]):[c:4]:[n:5]	3	1918,2650,2667
+[n:1]:[c:2](-[N:3]-1-[N:4]=[C:5]-[C:6](-[c:7])-[C:8]-1=[O:9]):[c:10]>>[n:1]:[c:2](-[N:3]-[N:4]):[c:10].[C:5](=[C:6](-[c:7])-[C:8](=[O:9])-[O:13]-[C:12]-[C:11])-[N:14](-[C:15])-[C:16]	3	1944,1945,31985
+[C:1]-1-[C:2](=[O:3])-[N:4](-[C:5])-[C:6](=[O:7])-[N:8]-1-[C:9]>>[N:4](-[C:5])=[C:6]=[O:7].[C:1](-[C:2](=[O:3])-[O:11]-[C:10])-[N:8]-[C:9]	3	1982,1983,1997
+[N:1](-[C:2])-[C:7](-[N:3]-[c:4]:[c:6]:[n:5])=[O:8]>>[N:1](-[C:2])=[C:7]=[O:8].[N:3]-[c:4]:[c:6]:[n:5]	3	2006,2008,27071
+[N:1]-1-[C:2](=[O:3])-[N:4](-[c:5])-[C:6](=[O:7])-[C:8]=[C:9]-1-[C:10]>>[C:2](=[O:3])=[N:4]-[c:5].[N:1]-[C:9](=[C:8]-[C:6](=[O:7])-[O:11]-[C:13]-[C:12])-[C:10]	3	2015,26096,37183
+[C:1]-[C:2]-[N:3]-[c:4](:[n:5]):[c:6]>>[N:3]-[c:4](:[n:5]):[c:6].[C:1]-[C:2]=[O:7]	3	2027,2042,2526
+[N:1]-[c:2]:1:[n:3]:[c:4](-[C:5](=[O:6])-[O:7]):[c:8]:[s:9]:1>>[C:4](-[C:5](=[O:6])-[O:7])(-[C:8]-[Br:11])=[O:10].[N:1]-[C:2](-[N:3])=[S:9]	3	2069,44254,44261
+[C:1]-[N:2](-[C:3]-[C:4]=[C:5]-[C:6](=[O:7])-[N:8]-[c:9])-[C:10]>>[C:3](-[C:4]=[C:5]-[C:6](=[O:7])-[Cl:11])-[Br:12].[C:1]-[N:2]-[C:10].[N:8]-[c:9]	3	2076,2077,2078
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:7]:[n:6]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7]:[n:6])-[Br:8]	3	2180,17138,20066
+[c:1]-[N:2]-1-[C:3](=[O:4])-[C:5](=[C:6](-[C:7])-[C:9]-1=[O:10])-[C:8]>>[C:3]-1(=[O:4])-[C:5](=[C:6](-[C:7])-[C:9](=[O:10])-[O:11]-1)-[C:8].[c:1]-[N:2]	3	2183,11805,11989
+[C:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[c:6](:[c:7]:[n:8]):[n:9]):[n:10]:1>>[C:1]-[C:2](-[C:3]-[Cl:12])=[O:11].[S:4]=[C:5](-[c:6](:[c:7]:[n:8]):[n:9])-[N:10]	3	2239,35044,35046
+[C:1]-[C:2](-[C:3]-[N:4](-[C:5])-[C:6])=[O:7]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](-[C:3]-[Cl:8])=[O:7]	3	2259,17309,37744
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:5](-[C:6])(=[O:8])-[Cl:9].[c:1]-[C:2](=[N:3]-[O:4])-[N:7]	3	2405,3421,43039
+[C:1]-[N:2]-1-[C:3](-[C:4]-[O:5]-[C:6]-[C:7]-1)=[O:8]>>[C:3](-[C:4]-[Cl:9])(=[O:8])-[Cl:10].[C:1]-[N:2]-[C:7]-[C:6]-[O:5]	3	2422,2431,2432
+[N:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6](:[c:7]):[c:9]:[n:8]>>[c:6](:[c:7])(:[c:9]:[n:8])-[Br:10].[N:1]-[C:2](=[O:3])-[C:4]=[C:5]	3	2765,2766,27981
+[C:1](=[O:2])-[N:3](-[C:4]-[C:5])-[C:6](=[O:7])-[N:8]>>[C:4](-[C:5])-[Cl:9].[C:1](=[O:2])-[N:3]-[C:6](=[O:7])-[N:8]	3	2779,4140,25877
+[c:1]-[n:2]:1:[c:3](-[C:4]):[c:5]:[c:6]:[c:7]:1-[c:8]>>[C:3](-[C:4])(-[C:5]-[C:6]-[C:7](-[c:8])=[O:10])=[O:9].[c:1]-[N:2]	3	2826,49052,54521
+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[C:7]-[C:8]-1>>[c:1]-[C:2](-[C:8]-[C:7]-[C:5](=[O:6])-[O:10])=[O:9].[N:3]-[N:4]	3	2837,42256,42274
+[O:1]-[C:2](-[C:3])-[c:4](:[c:5]):[s:6]>>[O:1]=[C:2](-[C:3])-[c:4](:[c:5]):[s:6]	3	2842,10188,51453
+[C:1]#[C:2]-[C:3]-[O:4]-[S:5](=[O:6])(=[O:7])-[c:8]:1:[c:9]:[c:10]:[c:11](-[C:12]):[c:13]:[c:14]:1>>[C:1]#[C:2]-[C:3]-[O:4].[S:5](=[O:6])(=[O:7])(-[c:8]:1:[c:9]:[c:10]:[c:11](-[C:12]):[c:13]:[c:14]:1)-[Cl:15]	3	2865,10575,53512
+[C:1]-[C:2]-1-[C:3]-[C:4]-[C:5](-[O:6])-[C:7]-[C:8]-1>>[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[O:6]):[c:7]:[c:8]:1	3	2870,12066,37391
+[C:1]-[C:2](-[C:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[N:4]-[c:5]:[c:7]:[n:6].[C:1]-[C:2](-[C:3])=[O:8]	3	2886,13938,26350
+[n:1]:[c:6](-[N:4](-[C:3]-[C:2])-[c:5]):[n:7]>>[n:1]:[c:6](-[N:4]-[c:5]):[n:7].[C:2]-[C:3]-[O:8]	3	2918,6397,36138
+[n:1]:[c:8](-[N:4](-[C:3]-[C:2])-[c:5]:[c:6]:[n:7]):[n:9]>>[n:1]:[c:8](-[N:4]-[c:5]:[c:6]:[n:7]):[n:9].[C:2]-[C:3]-[O:10]	3	2922,32517,34670
+[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:6])=[C:7]-[c:8])=[O:9]>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:6])=[O:9].[C:7](-[c:8])=[O:10]	3	2945,48480,48481
+[C:1]-[C:2]-[N:3](-[c:4])-[c:5]>>[C:1]-[C:2]-[Br:6].[N:3](-[c:4])-[c:5]	3	2962,4849,4853
+[c:1]-[C:2]-[N:3](-[C:4]=[O:5])-[C:6]=[O:7]>>[c:1]-[C:2]-[O:8].[N:3](-[C:4]=[O:5])-[C:6]=[O:7]	3	3029,22706,51332
+[C:1](=[O:2])-[N:3]-[N:4]=[C:5](-[C:6])-[c:7](:[n:8]):[c:9]>>[C:1](=[O:2])-[N:3]-[N:4].[C:5](-[C:6])(-[c:7](:[n:8]):[c:9])=[O:10]	3	3034,25559,39304
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[C:1]-[N:2]-[C:3].[N:6](-[C:7])-[C:8].[C:4](=[O:5])(-[O:13]-[C:10](-[Cl:9])(-[Cl:11])-[Cl:12])-[Cl:14]	3	3109,14677,32561
+[C:1](-[C:2](-[C:6](-[O:5])=[O:7])-[C:8](=[O:9])-[O:10])(-[c:3])=[O:4]>>[C:1](-[c:3])(=[O:4])-[Cl:11].[C:2](-[C:6](-[O:5])=[O:7])-[C:8](=[O:9])-[O:10]	3	3171,3184,3185
+[C:1](=[O:2])(-[C:3](-[C:4]-[c:5])-[C:8](-[O:7])=[O:9])-[O:6]>>[C:1](=[O:2])(-[C:3]-[C:8](-[O:7])=[O:9])-[O:6].[C:4](-[c:5])-[Br:10]	3	3182,3195,3197
+[O:1]=[C:2](-[C:3]-[C:4]-[c:5]:1:[c:6]:[o:7]:[n:8]:[c:9]:1)-[O:10]>>[O:1]=[C:2](-[C:3]-[C:12](-[O:11]-[C:16]-[C:15])=[O:13])-[O:10].[C:4](-[c:5]:1:[c:6]:[o:7]:[n:8]:[c:9]:1)-[Cl:14]	3	3183,3192,3201
+[c:1]-[C:2](-[C:5]-[C:3](=[O:4])-[O:7])=[O:6]>>[c:1]-[C:2](=[O:6])-[O:10]-[C:9]-[C:8].[C:3](=[O:4])(-[C:5])-[O:7]	3	3247,21559,21564
+[C:1]-[O:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:1]-[O:2].[C:3](-[c:4](:[n:5]):[c:6])-[O:11]-[S:8](-[C:7])(=[O:9])=[O:10]	3	3267,10911,32376
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]:[s:8]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:9]):[c:7]:[s:8].[N:5]-[C:6]	3	3278,6797,24040
+[O:1]=[C:2](-[N:3]-[C:4])-[c:5](:[n:6]):[c:7]>>[N:3]-[C:4].[O:1]-[C:2](-[c:5](:[n:6]):[c:7])=[O:8]	3	3295,21810,48511
+[c:1]:[c:2](-[C:3]=[C:4]):[n:5]:[c:6]:[c:7]>>[c:1]:[c:2](:[n:5]:[c:6]:[c:7])-[Cl:14].[C:3](=[C:4])-[B:9]-1-[O:8]-[C:16](-[C:11](-[O:10]-1)(-[C:12])-[C:13])(-[C:15])-[C:17]	3	3328,28936,28937
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:9](:[c:10]):[s:11]>>[N:8]-[c:9](:[c:10]):[s:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:19]-[C:17](-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15])=[O:18]	3	3343,21088,21090
+[C:1](=[O:2])-[C:3]=[C:4]-[N:5]>>[C:1](=[O:2])-[C:3].[C:4](-[N:5])=[O:6]	3	3347,7139,32178
+[n:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:2:[n:7]:[c:8]:[c:9]:[c:10]:[c:11]:1:2):[c:12]>>[n:1]:[c:2](-[C:3](-[c:11]:1:[c:6](:[n:7]:[c:8]:[c:9]:[c:10]:1)-[Cl:14])=[O:13]):[c:12].[N:4]-[N:5]	3	3348,42170,42231
+[c:1]:1(:[c:2]:[c:3]:[n:4]:[n:5]:[c:7]:1:[c:6])-[Cl:8]>>[c:1]:1(:[c:2]:[c:3]:[n:4]:[n:5]:[c:7]:1:[c:6])-[O:13].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	3	3367,35248,35260
+[c:1](-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[s:8]):[c:9]:[n:10]>>[c:1](-[N:2]):[c:9]:[n:10].[S:3](=[O:4])(=[O:5])(-[c:6](:[c:7]):[s:8])-[Cl:11]	3	3382,3427,38036
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:[c:6](-[c:7]):[c:8]:2-[c:9]):[c:10]:[c:11]:1>>[c:1]:1:[n:2]:[n:3]:[c:4](-[N:5]):[c:10]:[c:11]:1.[C:6](-[c:7])(-[C:8](-[c:9])-[Br:13])=[O:12]	3	3394,20119,20120
+[C:1]-[C:2](-[N:3]-[c:4](:[c:5]):[s:6])=[O:7]>>[N:3]-[c:4](:[c:5]):[s:6].[C:1]-[C:2](=[O:7])-[Cl:8]	3	3454,15963,43956
+[N:1]-[c:2](:[c:3]):[s:4]>>[N+:1](-[c:2](:[c:3]):[s:4])(=[O:5])-[O-:6]	3	3455,55392,55895
+[c:1]:[c:2](-[C:3]-1=[N:4]-[C:5](=[O:6])-[c:7]:[c:8]-[S:9]-1):[n:10]>>[c:1]:[c:2](-[C:3]#[N:4]):[n:10].[C:5](=[O:6])(-[c:7]:[c:8]-[S:9])-[O:11]	3	3468,21690,21691
+[n:1]:[c:2](-[C:3]=[C:4]-[C:5](=[O:6])-[O:8]):[c:7]>>[C:4](-[C:5](=[O:6])-[O:8])-[P:16](-[O:9]-[C:10]-[C:11])(-[O:15]-[C:14]-[C:13])=[O:17].[n:1]:[c:2](-[C:3]=[O:12]):[c:7]	3	3488,3505,3506
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[C:1]-[C:2]#[N:6].[O:4]-[C:5].[O:3]	3	3547,30384,32836
+[C:1]-[O:2]-[S:3](-[N:4])(=[O:5])=[O:6]>>[C:1]-[O:2].[S:3](-[N:4])(=[O:5])(=[O:6])-[Cl:7]	3	3558,10459,45445
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[Br:11].[c:6]:1(:[c:7]:[n:8]:[n:9]:[c:10]:1)-[B:12]-2-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17](-[C:18])(-[C:19])-[O:20]-2	3	3561,21822,22362
+[c:1]-[N:2](-[C:3])-[C:4]-[C:5]=[C:6]>>[C:4](-[C:5]=[C:6])-[Br:7].[c:1]-[N:2]-[C:3]	3	3604,3615,3652
+[C:1]=[C:2]-[C:3]-[N:4]-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:1]=[C:2]-[C:3]-[N:4].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:9]	3	3662,53952,56570
+[c:1]:1:[c:2]:[n:3](-[c:4]):[c:5]:[n:6]:1>>[C:5]=[O:7].[C:1](-[C:2]=[O:8])=[O:9].[N:6].[N:3]-[c:4]	3	3679,3681,3682
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:6]:[c:7]:1:[c:8]>>[C:4](-[C:5]=[O:10])=[O:9].[c:1]:[c:2](-[N:3]):[c:7](-[N:6]):[c:8]	3	3684,3685,3686
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[c:7]:2:[n:8]:[c:9](-[S:10]-[C:11]-[C:12]):[n:13]:[n:14]:1:2>>[C:11](-[C:12])-[Br:15].[C:1]-[C:2]-1=[C:3]-[C:4](-[C:5])=[N:6]-[C:7]-2=[N:8]-[C:9](=[S:10])-[N:13]-[N:14]-1-2	3	3765,12529,47437
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1-[C:6]-[C:7]>>[C:6](-[C:7])-[O:8].[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1	3	3777,4604,48930
+[N:1]-[C:2](=[O:3])-[C:4]-[c:5]:1:[c:6]:[s:7]:[c:8](-[N:9]):[n:10]:1>>[N:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6]-[Br:12])=[O:11].[S:7]=[C:8](-[N:9])-[N:10]	3	3799,39011,39012
+[N:1]-[C:6](=[C:5](-[C:3](-[N:2])=[O:4])-[N:10]-[C:8](-[C:9])=[O:11])-[N:7]>>[N:1]-[C:6](=[C:5](-[C:3](-[N:2])=[O:4])-[N:10])-[N:7].[C:8](-[C:9])(=[O:11])-[O:12]	3	3846,7103,38165
+[N:1]-[C:9](=[C:5](-[C:3](-[N:2])=[O:4])-[N+:6](=[O:7])-[O-:8])-[C:10]>>[N:1]-[C:9](=[C:5]-[C:3](-[N:2])=[O:4])-[C:10].[N+:6](=[O:7])(-[O-:8])-[O:11]	3	3859,6783,41577
+[c:1](-[O:2]-[C:3]-[C:4]):[c:5]:[n:6]>>[c:1](-[O:2]):[c:5]:[n:6].[C:3](-[C:4])-[Cl:7]	3	3937,4888,7099
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[C:2]#[N:6].[N:3](=[N+:5]=[N-:4])-[Sn:11](-[C:10]-[C:9]-[C:8]-[C:7])(-[C:12]-[C:13]-[C:14]-[C:15])-[C:16]-[C:17]-[C:18]-[C:19]	3	3991,3992,3996
+[n:1]:[c:2]:[c:3](-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1):[c:10]>>[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[n:1]:[c:2]:[c:3](:[c:10])-[Br:11]	3	4002,4003,29923
+[C:1]-[C:2](-[C:3])(-[N:4]-[C:5](-[C:6])=[O:7])-[C:8](=[O:9])-[N:10]-[C:11]>>[C:1]-[C:2](-[C:3])=[O:9].[C-:8]#[N+:10]-[C:11].[N:4].[C:5](-[C:6])(=[O:7])-[O:12]	3	4010,9833,24458
+[C:1]-[c:2]:1:[c:3](-[c:4]):[n:5]:[c:6](-[N:7]-[C:8]=[O:9]):[s:10]:1>>[C:1]-[C:2](-[C:3](-[c:4])=[O:11])-[Br:12].[N:5]-[C:6](-[N:7]-[C:8]=[O:9])=[S:10]	3	4023,12409,12410
+[c:1]-[c:2]:1:[c:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[O:4]=[C:5](-[C:6])-[N:7].[c:1]-[C:2](-[C:3]-[Br:9])=[O:8]	3	4029,44087,52514
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:5]#[N:4]	3	4031,35945,56451
+[C:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[C:1]-[C:2]-[I:9].[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	3	4043,22988,30073
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[N:6]-[C:8](=[O:7])-[O:9]-[C:10]>>[C:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[N:6]=[C:8]=[O:7])-[Cl:11].[O:9]-[C:10]	3	4046,9410,39822
+[N:1](-[C:2](-[C:3]-[C:4]-[C:5](-[O:6])=[O:9])=[O:8])-[C:7]>>[N:1]-[C:7].[C:2]-1(-[C:3]-[C:4]-[C:5](-[O:6]-1)=[O:9])=[O:8]	3	4137,8785,8797
+[c:1]-1:[c:2](:[c:3])-[C:4]-[C:5]-[C:6](=[O:7])-[N:8]-1>>[c:1](:[c:2]:[c:3])-[N:8]-[C:6](-[C:5]-[C:4]-[Cl:9])=[O:7]	3	4202,51016,51170
+[c:1]:1:[n:2]:[n:3](-[C:4]-[C:5]):[c:6]:[c:7]:1>>[C:4](-[C:5])-[Cl:8].[c:1]:1:[n:2]:[n:3]:[c:6]:[c:7]:1	3	4322,4490,34701
+[c:1]-[N:2](-[C:3]-[C:4])-[S:5]>>[C:3](-[C:4])-[Cl:6].[c:1]-[N:2]-[S:5]	3	4355,54988,54989
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]:[s:9]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:12]-[C:11]-[C:10]):[c:8]:[s:9]	3	4464,4472,46854
+[C:1]-[C:2]=[C:3]-[C:4]>>[C:1]-[C:2]#[C:3]-[C:4]	3	4485,53793,57370
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[N:4]-[C:5]-[C:6](=[O:7])-[O:8].[C:1]-[C:2](=[O:3])-[O:16]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	3	4503,8777,19878
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[c:6]:[s:7]):[n:8]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[c:6]:[s:7]):[n:8])-[Cl:9]	3	4523,4525,19729
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]):[n:7]:[c:8]:[c:9]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5](:[c:6]):[n:7]:[c:8]:[c:9]:1)-[Cl:10]	3	4593,18617,30244
+[c:1](:[c:2](-[O:3]-[C:4]-[C:5]):[c:6]:[n:7]):[n:8]>>[C:4](-[C:5])-[Br:9].[c:1](:[c:2](-[O:3]):[c:6]:[n:7]):[n:8]	3	4658,19035,21661
+[C:1]-[C:2]=[C:3]-[Sn:4](-[C:5])(-[C:6])-[C:7]>>[Sn:4](-[C:5])(-[C:6])-[C:7].[C:1]-[C:2]#[C:3]	3	4696,4697,4698
+[c:1]:1(:[c:2]:[c:3]:[c:4]:[s:5]:1)-[Sn:7](-[C:6])(-[C:8])-[C:9]>>[c:1]:1:[c:2]:[c:3]:[c:4]:[s:5]:1.[C:6]-[Sn:7](-[C:8])(-[C:9])-[Cl:10]	3	4701,4704,4714
+[c:1]-[C:2](-[C:3])(-[C:4])-[C:5]#[N:6]>>[c:1]-[C:2]-[C:5]#[N:6].[C:3]-[I:11].[C:4]-[N:8](-[C:7])-[C:9]=[O:10]	3	4731,6329,31349
+[N:1]-[C:2](-[N:3]-[N:4])=[O:5]>>[N:1]-[C:2](=[O:5])-[Cl:6].[N:3]-[N:4]	3	4769,6916,43525
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[c:7]):[n:8]:1>>[C:6](-[c:7])(=[O:9])-[Cl:10].[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[N:8]	3	4772,25539,36319
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]-[C:6](=[O:7])-[N:8]>>[C:4](-[C:5]-[C:6](=[O:7])-[N:8])-[Cl:9].[C:1]-[N:2]-[C:3]	3	4821,32659,32661
+[C:1]-[C:2](-[C:3])(-[C:4]#[N:5])-[C:6]-[C:7]>>[C:6](-[C:7])-[Br:8].[C:1]-[C:2](-[C:3])-[C:4]#[N:5]	3	4835,7588,8971
+[c:1]-[S:2](=[O:3])(=[O:4])-[C:5]-[C:6]>>[C:5](-[C:6])-[I:8].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	3	4878,30059,30061
+[c:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[I:6].[c:1]-[N:2]-[C:5]	3	4883,5287,30048
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](-[O:4])(-[C:5])=[O:6].[C:1]-[N:2]	3	4916,6311,50264
+[N:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[N:1]#[C:2]-[C:3]-[C:4](-[C:5])=[O:8].[N:6]-[O:7]	3	4922,8916,47080
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]=[C:7]>>[N:4]-[C:5]-[C:6]=[C:7].[c:1]-[C:2](=[O:3])-[O:8]	3	4953,9406,53093
+[c:1](:[c:2]):[n:9]:[c:4](:[c:3])-[N:5]-[c:6](:[c:7]):[s:8]>>[c:1](:[c:2]):[n:9]:[c:4](:[c:3])-[Br:10].[N:5]-[c:6](:[c:7]):[s:8]	3	5008,26078,26079
+[O:1]=[C:2](-[N:3]-[C:4]=[O:5])-[N:6]-[c:7]>>[O:1]=[C:2]=[N:3]-[C:4]=[O:5].[N:6]-[c:7]	3	5015,49050,51865
+[C:1]-[C:2]=[C:3]-[C:4]>>[C:1]-[C:2]=[C:5].[C:3](-[C:4])=[C:6]	3	5029,15472,23231
+[c:1]:[c:5]:[n:4]:[c:3](:[c:2])-[O:6]-[C:7]-[C:8](=[O:9])-[O:10]>>[O:6]-[C:7]-[C:8](=[O:9])-[O:10].[c:1]:[c:5]:[n:4]:[c:3](:[c:2])-[Cl:11]	3	5107,5108,5109
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[S:7]-[C:8]-[C:9]):[n:10]:1>>[C:8](-[C:9])-[Br:11].[c:1]:[c:2]-1:[c:3](:[c:4])-[N:5]-[C:6](=[S:7])-[N:10]-1	3	5199,30964,49471
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[C:6]-[C:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:5].[C:6](-[C:7])-[O:8]	3	5220,16528,44170
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Br:9]	3	5221,30516,49117
+[N:1]-[C:10]=1-[N:2]-[C:3](=[O:4])-[N:5]=[C:6](-[O:7]-[C:8])-[C:9]=1>>[O:7]-[C:8].[N:1]-[C:10]=1-[N:2]-[C:3](=[O:4])-[N:5]=[C:6](-[C:9]=1)-[Cl:11]	3	5338,16112,38843
+[N:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[N:1]-[C:2](=[O:3])-[Cl:6]	3	5351,31925,50489
+[n:1]:[c:11](:[c:2])-[N:10]-[C:9]=[C:5](-[C:3](=[O:4])-[O:13])-[C:6](=[O:7])-[O:8]-[C:12]>>[C:3](=[O:4])(-[C:5](-[C:6](=[O:7])-[O:16]-[C:15]-[C:14])=[C:9]-[O:8]-[C:12])-[O:13].[n:1]:[c:11](:[c:2])-[N:10]	3	5396,5403,5404
+[C:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[Br:5].[C:1]-[B:12]-1-[O:11]-[B:9](-[O:8]-[B:7](-[C:6])-[O:13]-1)-[C:10]	3	5417,38849,43625
+[C:1]-[C:2]-1=[N:3]-[N:4](-[c:5](:[n:6]):[c:7])-[C:8](=[O:9])-[C:10]-1>>[C:1]-[C:2](-[C:10]-[C:8](=[O:9])-[O:13]-[C:12]-[C:11])=[O:14].[N:3]-[N:4]-[c:5](:[n:6]):[c:7]	3	5500,50316,53520
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](:[c:9]:1)-[O:10]>>[C:1]-[C:2](-[C:9]-[C:8](=[O:10])-[O:13]-[C:12]-[C:11])=[O:14].[N:3]-[c:4](:[c:5]):[c:7]:[c:6]	3	5503,5515,5519
+[C:1]-[C:2](-[C:3]=[O:7])-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]-[C:4](=[O:5])-[O:6].[C:3](=[O:7])-[O:10]-[C:9]-[C:8]	3	5605,5613,31199
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5])-[C:6]>>[C:3](=[O:4])(-[N:5])-[O:9]-[C:8]-[C:7].[C:1]-[N:2]-[C:6]	3	5659,5660,5661
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:8]:[n:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[c:8]:[n:7])-[O:10]-[C:9].[C:1]-[N:2]	3	5717,41764,41862
+[n:1]:[c:2](-[N:3]-1-[N:4]=[C:5]-[C:6](-[c:7])-[C:8]-1=[O:9]):[c:10]>>[n:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6](-[c:7]):[c:8]:1-[O:9]-[C:11]):[c:10]	3	5797,10229,15422
+[O:1]-[C:2]-[N:3](-[c:4]:[c:6]:[n:5])-[S:7]>>[O:1]-[C:2]-[Cl:8].[N:3](-[c:4]:[c:6]:[n:5])-[S:7]	3	5840,5845,5846
+[C:1]-[C:2](-[C:5]-[C:3]#[N:4])=[O:6]>>[C:1]-[C:2](=[O:6])-[O:9]-[C:8]-[C:7].[C:3](#[N:4])-[C:5]	3	5920,13385,41221
+[C:1]-[C:2]-[N:3](-[C:4]-[C:5]=[C:6])-[C:7]>>[C:1]-[C:2]-[Cl:8].[N:3](-[C:4]-[C:5]=[C:6])-[C:7]	3	5942,10830,16488
+[O:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1>>[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1.[O:1]-[C:2]-[Cl:8]	3	5947,33896,33923
+[c:1]:1:[c:2]:[n:3](-[c:4]:2:[n:5]:[c:6](:[c:7](:[c:8]):[n:10]:2):[c:9]):[n:11]:[c:12]:1>>[c:4]:1(:[n:5]:[c:6](:[c:7](:[c:8]):[n:10]:1):[c:9])-[Cl:13].[c:1]:1:[c:2]:[n:3]:[n:11]:[c:12]:1	3	6003,6005,31170
+[C:1]-[N:2]-[C:3](=[O:4])-[n:5](:[c:6]:[c:7]):[c:8]>>[C:1]-[N:2].[C:3](=[O:4])(-[n:5](:[c:6]:[c:7]):[c:8])-[n:11]:1:[c:10]:[c:9]:[n:13]:[c:12]:1	3	6043,10122,41310
+[c:1]:1:[c:2]:[n:3]:[c:4](-[C:5](-[c:8]:[c:6]:[n:7])=[O:10]):[c:9]:1>>[C:5](-[c:8]:[c:6]:[n:7])(=[O:10])-[Cl:11].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:9]:1	3	6117,6121,6122
+[O:1]=[C:2](-[O:3]-[C:12]-[C:11])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]:[c:9]:[n:10]>>[C:6](=[O:7])(-[c:8]:[c:9]:[n:10])-[O:13].[O:1]=[C:2](-[O:3])-[C:4]-[N:5]-[C:12]-[C:11]	3	6156,30289,30290
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5]-[c:6])-[c:7]>>[O:1]-[C:2](=[O:3])-[C:4](-[c:7])-[Br:8].[O:5]-[c:6]	3	6176,51193,54580
+[C:1]-[C:2](=[O:3])-[N:4]-[N:5](-[N:6])-[C:7]=[O:8]>>[N:4]-[N:5](-[N:6])-[C:7]=[O:8].[C:1]-[C:2](=[O:3])-[O:9]	3	6180,6318,53902
+[c:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1):[n:8]:[c:9]:[c:10]>>[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1.[c:1]:[c:2](:[n:8]:[c:9]:[c:10])-[F:11]	3	6197,30849,41371
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:[n:6]:[c:7]:2-[C:8]):[c:9]:[c:10]:1>>[C:7](-[C:8])(=[O:11])-[O:12].[c:1]:1:[n:2]:[n:3]:[c:4](-[N:5]-[N:6]):[c:9]:[c:10]:1	3	6205,44126,44132
+[C:1](-[C:2]-[c:3])#[N:4]>>[C:2](-[c:3])-[Br:5].[C:1](#[N:4])-[C:6]	3	6299,6347,40321
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1):[c:11]>>[N:5]-[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1.[n:1]:[c:2](-[C:3](=[O:4])-[O:12]):[c:11]	3	6308,18536,49596
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])-[Br:4].[O:3]=[S:6](-[C:5])-[C:7]	3	6349,33607,33608
+[C:1]-[N:2]-1-[N:3]=[N:4]-[N:5]-[C:6]-1=[O:7]>>[N:2]-1-[N:3]=[N:4]-[N:5]-[C:6]-1=[O:7].[C:1]-[I:8]	3	6392,31377,31611
+[C:1]-[C:2](-[C:3]-[c:4])-[C:5](=[O:6])-[O:7]>>[C:3](-[c:4])-[Br:8].[C:1]-[C:2]-[C:5](=[O:6])-[O:7]	3	6517,23335,56193
+[C:1]-[C:2]-[S:3]-[C:5](-[C:4])=[O:6]>>[C:1]-[C:2]-[O:7].[S:3]=[C:5](-[C:4])-[O:6]	3	6591,18033,21521
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]):[o:7])-[C:8]>>[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[Cl:9].[C:1]-[N:2]-[C:8]	3	6616,6623,6624
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[C:7]>>[c:1]-[C:2](-[N:6]-[C:7])=[O:12].[N:3](=[N+:5]=[N-:4])-[Si:9](-[C:8])(-[C:10])-[C:11]	3	6655,34143,34145
+[C:1]-[C:2]-[N:3]-[O:4]>>[C:1]-[C:2]=[N:3]-[O:4]	3	6664,49365,52783
+[O:1]-[C:2](=[O:3])-[C:4](-[N:5]-[C:6])=[O:7]>>[N:5]-[C:6].[O:1]-[C:2](=[O:3])-[C:4](=[O:7])-[Cl:8]	3	6681,44206,44269
+[s:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[C:6]):[n:7]:[c:8]:[c:9]:1>>[N:5]-[C:6].[s:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[c:9]:1)-[Cl:10]	3	6684,7757,22309
+[C:1]-[C:2]-[c:3](:[c:4]):[s:5]>>[C:1]-[C:2](-[c:3](:[c:4]):[s:5])=[O:6]	3	6707,51487,52381
+[C:1](-[C:2]=[C:3])-[O:4]>>[C:1](-[C:2]=[C:3])-[O:4]-[C:6](-[C:5])=[O:7]	3	6732,43029,56114
+[C:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[C:6])-[N:7]-[c:8]:2:[c:9]:[n:10]:[c:11]:[c:12]:2-[C:13]-1-[c:14](:[c:15]):[o:16]>>[C:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:17].[N:7]-[c:8]:1:[c:9]:[n:10]:[c:11]:[c:12]:1.[C:13](-[c:14](:[c:15]):[o:16])=[O:18]	3	6755,25274,30830
+[C:1]-1(=[O:2])-[C:3]-[O:4]-[C:5](=[O:6])-[N:7]-1-[C:8]-[C:9]>>[C:1]-1(=[O:2])-[C:3]-[O:4]-[C:5](=[O:6])-[N:7]-1.[C:8](-[C:9])-[O:10]	3	6766,6767,6768
+[c:1]-[N:2]>>[c:1]-[N:2]-1-[C:4](=[O:3])-[c:5]:2:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:2-[C:11]-1=[O:12]	3	6802,7206,51368
+[c:1](-[C:2]=[C:3](-[O:4])-[C:5]=[O:6]):[c:7]:[n:8]>>[C:3](-[O:4])-[C:5]=[O:6].[c:1](-[C:2]=[O:9]):[c:7]:[n:8]	3	6805,19509,19512
+[C:1]=[C:2]-[C:3]-[N:4]-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:1]=[C:2]-[C:3]-[N:4]-1-[C:21](=[O:20])-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2-[C:28]-1=[O:29].[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:19]-[C:17](-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15])=[O:18]	3	6819,20908,21342
+[S:1](=[O:2])(=[O:3])(-[c:4]:1:[c:5]:[c:6]:[c:7]:[s:8]:1)-[Cl:9]>>[c:4]:1:[c:5]:[c:6]:[c:7]:[s:8]:1.[S:1](=[O:2])(-[O:3])(-[Cl:9])=[O:10]	3	6833,45736,45761
+[C:1](-[C:2](=[C:3]-[N:8])-[C:4](=[O:5])-[C:6])(-[C:7])=[O:9]>>[C:1](-[C:2]-[C:4](=[O:5])-[C:6])(-[C:7])=[O:9].[C:3](-[N:8])(-[O:11]-[C:10])-[O:12]-[C:13]	3	6966,28759,43153
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[N:3](-[C:4])-[C:5].[C:1]-[C:2]-[O:9]-[S:7](=[O:6])(=[O:8])-[c:10]:1:[c:11]:[c:12]:[c:13](-[Br:14]):[c:15]:[c:16]:1	3	7011,13871,16205
+[C:1]-[n:2]:1:[c:3](-[c:4]):[n:5]:[n:6]:[c:7]:1-[N:8]>>[C:1]-[N:2]=[C:7](-[N:8])-[S:10]-[C:9].[C:3](-[c:4])(-[N:5]-[N:6])=[O:11]	3	7090,36820,36821
+[n:1]:[c:2]:[c:3](-[c:4](:[n:5]:[n:6]):[c:7]):[c:8]>>[c:4](:[n:5]:[n:6])(:[c:7])-[Cl:9].[n:1]:[c:2]:[c:3](:[c:8])-[B:11](-[O:10])-[O:12]	3	7111,17540,46557
+[N:1](=[C:2]-[c:3](:[c:4]:[n:5]):[n:6])-[O:7]>>[C:2](-[c:3](:[c:4]:[n:5]):[n:6])=[O:8].[N:1]-[O:7]	3	7119,24303,43081
+[C:1]-[c:2]:1:[n:3]:[n:4](-[C:5]):[c:6](-[c:7]):[c:8]:1>>[C:1]-[C:2](-[C:8]-[C:6](-[c:7])=[O:10])=[O:9].[N:3]-[N:4]-[C:5]	3	7156,17849,42331
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:8](-[c:7]):[c:9]:[n:10]:1>>[C:5](-[C:6])(-[N:8]-[c:7])=[O:11].[O:1]-[C:2](=[O:3])-[C:4]-[N+:10]#[C-:9]	3	7168,7170,30769
+[n:1]:[c:2]:[c:3](-[C:4]#[C:5]-[C:6]):[c:7]:[n:8]>>[C:4]#[C:5]-[C:6].[n:1]:[c:2]:[c:3](:[c:7]:[n:8])-[I:9]	3	7198,7199,19012
+[C:1]=[C:2]-[C:3](-[c:4])-[C:5](-[F:6])(-[F:7])-[F:8]>>[C:1]=[C:2].[C:3](-[c:4])(-[C:5](-[F:6])(-[F:7])-[F:8])-[Br:9]	3	7205,16070,33298
+[N:1]=[C:2](-[N:3])-[C:4]>>[C:2](-[N:3])(-[C:4])=[S:5].[N:1]	3	7290,10741,36922
+[N:1]#[C:2]-[C:3](-[N:4])-[C:5]>>[C:3](-[C:5])=[O:6].[N:1]#[C:2].[N:4]	3	7294,10042,12599
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[n:7]:[c:8]:[c:9]:1>>[c:4](:[c:5])(:[c:6])-[B:10]-1-[O:11]-[C:12](-[C:13])(-[C:14])-[C:17](-[C:16])(-[C:18])-[O:19]-1.[c:1]:1:[n:2]:[c:3](:[n:7]:[c:8]:[c:9]:1)-[I:15]	3	7366,28420,29038
+[N:1]-[C:2](-[C:3])=[C:4](-[C:5](=[O:6])-[N:7])-[Br:8]>>[Br:8]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14].[N:1]-[C:2](-[C:3])=[C:4]-[C:5](=[O:6])-[N:7]	3	7411,8115,8371
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5](-[C:6]):[s:8]:1)-[C:7]>>[C:4](-[C:5](-[C:6])-[Br:10])(-[C:7])=[O:9].[N:1]-[C:2](-[N:3])=[S:8]	3	7435,15338,52191
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6])-[C:7]):[c:8]:1>>[C:5](-[c:6])(-[C:7])-[O:9].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:8]:1	3	7450,36069,38792
+[c:1]-[C:2](-[N:3]-[N:4]-[C:5](-[C:6])=[O:7])=[O:8]>>[N:3]-[N:4]-[C:5](-[C:6])=[O:7].[c:1]-[C:2](=[O:8])-[O:9]	3	7468,23330,42340
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5]-[C:6]#[N:7])(-[C:8])-[C:9]):[n:10]:[c:11]:1>>[C:4](=[C:5]-[C:6]#[N:7])(-[C:8])-[C:9].[c:1]:1:[c:2]:[n:3]:[n:10]:[c:11]:1	3	7576,7863,22499
+[C:1]-[C:2](-[N:3])-[c:4]>>[C:1]-[C:2](=[N:3]-[O:6]-[C:5])-[c:4]	3	7598,12125,25660
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[C:3](=[O:4])(-[C:9])-[O:10].[N:5]-[C:6]	3	7675,12175,15373
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5])-[c:6]>>[N:1]-[C:2](=[O:3])-[C:4]-[c:6].[C:5]-[I:7]	3	7780,31386,31779
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6](-[N:7])=[O:8]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]#[N:7].[O:8]-[O:9]	3	7852,17912,34441
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5]-1):[c:6]>>[c:1]:[c:2](:[c:6])-[Cl:10].[C:3]-1(-[C:4]-[C:5]-1)-[B:8](-[O:7])-[O:9]	3	7916,10330,21371
+[c:1]:1:[n:2]:[c:3](:[n:4]:[c:5]:[c:6]:1)-[I:7]>>[c:1]:1:[n:2]:[c:3](:[n:4]:[c:5]:[c:6]:1)-[Cl:8].[I:7]	3	8031,39319,40426
+[C:1]-[N:2](-[C:3]-[C:4](-[F:5])(-[F:6])-[F:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[C:4](-[F:5])(-[F:6])-[F:7])-[O:12]-[S:10](=[O:9])(=[O:11])-[C:13](-[F:14])(-[F:15])-[F:16]	3	8037,9676,38213
+[c:1]:1(:[c:2]:[n:3]:[c:4]:[c:5]:[n:8]:1:[c:7]:[c:6])-[Br:9]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[n:8]:1:[c:7]:[c:6].[Br:9]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15]	3	8106,8107,8206
+[C:1]-[C:2](=[C:3])-[C:4]-[Br:5]>>[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[C:1]-[C:2](=[C:3])-[C:4]	3	8119,8318,8712
+[c:1]:[c:6]:[n:5](:[c:3](:[c:2])-[Br:4]):[c:8]:[c:7]>>[Br:4]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14].[c:1]:[c:6]:[n:5](:[c:3]:[c:2]):[c:8]:[c:7]	3	8130,8362,8364
+[c:1]:1:[c:2](-[Br:3]):[c:4]:[n:5]:[o:6]:1>>[Br:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1]:1:[c:2]:[c:4]:[n:5]:[o:6]:1	3	8195,8246,8696
+[C:1]-[C:2](-[Br:3])-[C:4]=[O:5]>>[Br:3]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[C:1]-[C:2]-[C:4]=[O:5]	3	8236,8495,8544
+[N:1]-[C:2]=[C:3](-[c:4])-[Br:5]>>[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[N:1]-[C:2]=[C:3]-[c:4]	3	8258,8422,8690
+[c:1]:1(:[c:2]:[c:3]:[c:4](:[c:5]):[n:6]:1)-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[c:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[n:6]:1	3	8260,8312,8674
+[N:1]-1-[C:2](=[O:3])-[C:4](-[Br:5])=[C:6](-[O:7])-[C:8]=[C:9]-1>>[Br:5]-[N:14]-1-[C:12](-[C:11]-[C:10]-[C:16]-1=[O:15])=[O:13].[N:1]-1-[C:2](=[O:3])-[C:4]=[C:6](-[O:7])-[C:8]=[C:9]-1	3	8381,8382,8503
+[c:1]:1:[c:2](:[c:3]:[c:4]:[s:5]:1)-[Br:6]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1]:1:[c:2]:[c:3]:[c:4]:[s:5]:1	3	8408,8528,8603
+[O:1]-[C:2](-[C:3](-[c:4])-[Br:6])=[O:5]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[O:1]-[C:2](-[C:3]-[c:4])=[O:5]	3	8461,8667,8694
+[C:1](=[O:2])(-[C:3]-[N:5](-[C:4])-[C:7](=[O:6])-[O:8])-[O:9]>>[C:1](=[O:2])(-[C:3]-[N:5]-[C:4])-[O:9].[O:6]=[C:7](-[O:8])-[Cl:10]	3	8818,44178,54415
+[C:1]-[C:2](-[C:3](=[O:4])-[O:6])-[C:5]>>[C:2](-[C:3](=[O:4])-[O:6])-[C:5].[C:1]-[I:7]	3	8849,19042,24702
+[C:1](=[O:2])(-[C:3]-[c:4]:1:[c:5](-[C:6]):[c:8](-[C:7]):[n:9]:[n:10]:1-[c:11])-[O:12]>>[C:1](=[O:2])(-[C:3]-[C:4](-[C:5](-[C:6])-[C:8](-[C:7])=[O:14])=[O:13])-[O:12].[N:9]-[N:10]-[c:11]	3	8921,8922,8926
+[O:1]=[C:2](-[O:3])-[C:4]-[N:5]-1-[C:6]-[C:7](-[O:8])=[C:9]-[C:10]-1=[O:11]>>[O:1]=[C:2](-[O:3])-[C:4]-[N:5].[C:6](-[C:7](-[O:8])=[C:9]-[C:10](=[O:11])-[O:14]-[C:13]-[C:12])-[Br:15]	3	8991,26633,26634
+[c:1](-[C:2](-[N:3])=[S:4]):[c:5]:[n:6]>>[c:1](-[C:2](-[N:3])=[O:18]):[c:5]:[n:6].[S:4]=[P:28]-1(-[c:7]:2:[c:8]:[c:9]:[c:10](-[O:11]-[C:12]):[c:13]:[c:14]:2)-[S:15]-[P:25](-[c:24]:3:[c:16]:[c:17]:[c:21](-[O:20]-[C:19]):[c:22]:[c:23]:3)(=[S:26])-[S:27]-1	3	9042,12451,50307
+[O:1]=[C:2]-1-[N:3]-[c:4]:[c:5]-[N:6](-[C:7])-[C:8]-1=[O:9]>>[N:3]-[c:4]:[c:5]-[N:6]-[C:7].[O:1]=[C:2](-[C:8](=[O:9])-[O:15]-[C:10]-[C:11])-[O:14]-[C:13]-[C:12]	3	9079,30891,30909
+[c:1]:[c:2](:[c:3])-[c:4]:1:[c:5]:[c:6]:[c:7](:[c:8]):[n:9]:1>>[c:4]:1(:[c:5]:[c:6]:[c:7](:[c:8]):[n:9]:1)-[Br:10].[c:1]:[c:2](:[c:3])-[B:12](-[O:11])-[O:13]	3	9118,12554,14349
+[n:1]:1:[c:2](:[c:3]):[c:4]:[c:5]:[c:6]:1>>[n:1]:1(:[c:2](:[c:3]):[c:4]:[c:5]:[c:6]:1)-[S:9](=[O:7])(-[C:8])=[O:10]	3	9123,38541,45321
+[C:1]-[N:2](-[N:3])-[C:8](-[N:4]-[c:5](:[n:6]):[s:7])=[O:9]>>[N:4](-[c:5](:[n:6]):[s:7])=[C:8]=[O:9].[C:1]-[N:2]-[N:3]	3	9136,29907,30291
+[C:1]-[C:3](-[c:2])=[N:4]-[S:5]>>[C:1]-[C:3](-[c:2])=[O:6].[N:4]-[S:5]	3	9141,10540,11503
+[C:1]-[C:2](=[C:3]-[O:4])-[C:5]>>[C:1]-[C:2](-[C:5])=[O:6].[C:3](-[O:4])-[P+:11](-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:25]:[c:24]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	3	9184,9550,49388
+[c:1](:[c:2]-[N:3]-[C:4](-[C:5])-[C:6]):[s:7]>>[C:4](-[C:5])(-[C:6])=[O:8].[c:1](:[c:2]-[N:3]):[s:7]	3	9194,10158,42750
+[C:1]-[C:2](=[O:3])-[C:4]>>[C:2](=[O:3])(-[C:4])-[N:7](-[O:6]-[C:5])-[C:8].[C:1]-[Li:9]	3	9202,26151,47543
+[N:1]-[C:2](=[O:3])-[C:4](-[N:5]-[N:6])=[O:7]>>[N:1]-[C:2](=[O:3])-[C:4](=[O:7])-[O:9]-[C:8].[N:5]-[N:6]	3	9271,9537,23789
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5]):[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2:[n:11]:1>>[O:4]-[C:5].[c:1]:1:[n:2]:[c:3](:[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2:[n:11]:1)-[Cl:12]	3	9514,19180,30442
+[C:1]-[N:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2]-[C:9].[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:10]	3	9625,15034,15655
+[N:1](-[C:2](=[O:3])-[N:4](-[C:5])-[C:6])-[C:8](=[O:7])-[O:9]>>[N:4](-[C:5])-[C:6].[N:1](-[C:2](=[O:3])-[O:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)-[C:8](=[O:7])-[O:9]	3	9651,9652,13539
+[c:1]:1:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[c:8]:[n:9]:[o:10]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[c:2](-[C:3](=[O:4])-[O:11]):[c:8]:[n:9]:[o:10]:1	3	9666,15178,15206
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[N:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[N:8])-[O:10]	3	9728,32621,32683
+[N:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[N:1]-[C:2](=[O:3])-[N:4](-[c:5](:[n:6]):[c:7])-[C:9](=[O:8])-[O:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	3	9860,13448,56949
+[C:1]-[c:2]:1:[n:3]:[c:4](-[N:5]):[n:6]:[o:7]:1>>[N:3]=[C:4](-[N:5])-[N:6]-[O:7].[C:1]-[C:2](=[O:8])-[O:9]	3	9862,9863,13456
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8]>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8])-[Cl:10]	3	9875,11630,41870
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]>>[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:6].[N:5]	3	9884,40679,40680
+[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[c:6]):[n:7]:[n:8]:1>>[O:1]=[C:2]-1-[C:3]-[C:4]-[C:5](-[c:6])=[N:7]-[N:8]-1	3	9940,54037,54548
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2](=[O:3])-[N:5].[O:4]-[C:7](-[C:6])=[O:8]	3	10012,44120,44127
+[c:1]:[c:7](:[n:4]:[c:3]:[c:2])-[N:6]-[N:5]>>[c:1]:[c:7](:[n:4]:[c:3]:[c:2])-[Br:8].[N:5]-[N:6]	3	10056,42230,42305
+[C:1]=[C:2]-[C:3]-[O:4]>>[C:1]=[C:2]-[C:3]-[O:4]-[C:5]	3	10080,26273,56588
+[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5]:[n:6]:[n:7]:1>>[c:1]:[c:8](:[n:4]:[c:3]:[c:2])-[N:7]-[N:6].[C:5](-[O:12]-[C:11]-[C:10])(-[O:13]-[C:14]-[C:15])-[O:16]-[C:17]-[C:9]	3	10092,31068,31079
+[c:1]-[S:2](-[C:3])=[O:4]>>[c:1]-[S:2]-[C:3].[O:4]-[O:5]	3	10109,25421,45599
+[c:1]:[c:7](:[n:6]:[c:3](:[c:2])-[N:4]-[N:5]):[c:8]>>[c:1]:[c:7](:[n:6]:[c:3](:[c:2])-[Cl:9]):[c:8].[N:4]-[N:5]	3	10142,27724,42234
+[C:1]-[N:2](-[c:3]:1:[n:4]:[o:5]:[c:6]:[c:7]:1)-[C:8]>>[C:1]-[N:2]-[C:8].[c:3]:1(:[n:4]:[o:5]:[c:6]:[c:7]:1)-[Cl:9]	3	10321,15013,15039
+[N:1]-[c:2](:[c:3]):[n:4]>>[N:1](-[c:2](:[c:3]):[n:4])-[N:5]	3	10329,40119,53029
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]-[C:6](-[N:7])=[O:8]>>[N:3](-[C:4])-[C:5]-[C:6](-[N:7])=[O:8].[C:1]-[C:2]=[O:9]	3	10347,16402,53757
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]-[C:2]-[C:3](-[c:4])=[O:5]	3	10357,48644,51303
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6]:[n:7]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[N:7].[C:6](-[O:9]-[C:8])(-[O:10]-[C:11])-[O:12]-[C:13]	3	10401,43189,43201
+[c:1]:1:[c:2](-[N:3]-[C:4](=[O:5])-[O:6]-[C:7]):[c:8]:[c:9]:[s:10]:1>>[c:1]:1:[c:2](-[C:4](=[O:5])-[O:11]):[c:8]:[c:9]:[s:10]:1.[O:6]-[C:7].[N:3](=[N+:13]=[N-:12])-[P:14](=[O:15])(-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2	3	10403,27937,51013
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[C:4](-[c:5])(-[C:6]-[Cl:9])=[O:8].[N:1]-[C:2](-[N:3])=[S:7]	3	10425,34461,39624
+[C:1](=[C:2])-[C:3]-[O:7]-[C:5](-[C:4])=[O:6]>>[C:1](=[C:2])-[C:3]-[O:7].[C:4]-[C:5](=[O:6])-[Cl:8]	3	10433,10813,43994
+[O:1]=[C:2](-[C:3]-[N:4]-[c:5]:1:[n:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[O:11]>>[O:1]=[C:2](-[C:3]-[N:4])-[O:11].[c:5]:1(:[n:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[Cl:12]	3	10448,30761,52229
+[c:1](-[C:2](=[O:3])-[N:4]-[C:5]):[c:6]:[s:7]>>[N:4]-[C:5].[c:1](-[C:2](=[O:3])-[O:8]):[c:6]:[s:7]	3	10503,17220,41843
+[c:1]:1:[c:2]:[n:3]:2:[c:4](-[C:5]):[c:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:1>>[C:4](-[C:5])(-[C:6]=[O:11])-[Cl:12].[c:1]:1:[c:2]:[n:3]:[c:8](-[N:7]):[n:9]:[c:10]:1	3	10519,10520,54184
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[N:3]-[C:4](-[C:5])=[N:6]-[O:7].[C:1]-[C:2](=[O:8])-[O:9]	3	10670,19921,22562
+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-1-[c:8]>>[C:1]-[C:2](-[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-[c:8])=[O:9]	3	10676,38483,53485
+[c:1]-[O:2]-[c:3](:[n:4]:[n:5]):[c:6]>>[c:3](:[n:4]:[n:5])(:[c:6])-[I:7].[c:1]-[O:2]	3	10698,10699,10700
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:3](-[C:4])-[Br:6].[C:1]-[N:2](-[C:5])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	3	10795,22795,22796
+[O:1]=[C:2](-[N:3]-[C:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[N:3]-[C:4].[O:1]=[C:2](-[c:5](:[c:6]:[n:7]):[n:8])-[O:11]-[C:10]-[C:9]	3	10815,26687,49826
+[C:1](-[O:2])-[C:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Br:7].[C:1]-1-[O:2]-[C:3]-1	3	10828,15254,15259
+[n:1]:[c:2]:[c:3](-[C:4]-[N:5]-[C:6]):[c:7]:[n:8]>>[N:5]-[C:6].[n:1]:[c:2]:[c:3](-[C:4]=[O:9]):[c:7]:[n:8]	3	10835,22669,49203
+[O:1]=[N:2]-[N:3](-[C:4])-[C:5](=[O:6])-[N:7]>>[N:3](-[C:4])-[C:5](=[O:6])-[N:7].[O:1]=[N+:2](-[N+:9](=[O:8])-[O-:10])-[O-:11]	3	10855,44081,48067
+[O:1]=[C:2]-1-[C:3]=[C:4](-[N:5]-[N:6])-[N:7]-[C:8](=[O:9])-[N:10]-1>>[O:1]=[C:2]-1-[C:3]=[C:4](-[N:7]-[C:8](=[O:9])-[N:10]-1)-[Cl:11].[N:5]-[N:6]	3	10873,26760,26772
+[c:1]-[C:2]=[C:3](-[C:4]#[N:5])-[S:6]>>[c:1]-[C:2]=[O:7].[C:3](-[C:4]#[N:5])-[S:6]	3	10925,27703,49680
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:11]:[c:7](:[n:5]:1-[C:6])-[c:8](:[c:9]):[n:10]>>[C:7](-[c:8](:[c:9]):[n:10])=[O:12].[c:1]:[c:4](:[c:3](:[c:2])-[N+:11](=[O:13])-[O-:14])-[N:5]-[C:6]	3	10976,10977,10978
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N:2].[C:3](=[O:4])(-[n:9]:1:[c:8]:[c:7]:[n:16]:[c:15]:1)-[n:10]:2:[c:11]:[c:12]:[n:13]:[c:14]:2	3	11004,11044,26011
+[C:1](-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]=[C:10]>>[C:1](-[N:2])-[C:9]=[C:10].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:11]	3	11086,48608,56164
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5](=[O:6])-[N:7])-[c:8]):[n:9]>>[N:4](-[C:5](=[O:6])-[N:7])-[c:8].[n:1]:[c:2](-[C:3]-[Cl:10]):[n:9]	3	11089,11090,26722
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2].[C:3](-[C:4])-[O:13]-[S:10](-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:5](:[c:14]:1)-[N+:16](=[O:15])-[O-:17])(=[O:11])=[O:12]	3	11100,45864,45865
+[O:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[Br:5].[O:1]-[O:6]	3	11103,25446,28761
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[N:7](-[C:8])-[C:9]):[n:10]:1>>[N:7](-[C:8])-[C:9].[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](:[n:10]:1)-[Cl:11]	3	11107,23318,49846
+[N:1]-[C:2]=[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[N:1]-[C:2]=[C:3]-[C:4]=[O:8]	3	11146,11162,11163
+[c:1](-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:7]:[n:8]:1):[c:9]):[c:10]:[n:11]>>[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:7]:[n:8]:1):[c:9])-[Cl:12].[c:1](-[N:2]):[c:10]:[n:11]	3	11173,14272,14273
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[n:5]:1)-[C:7](=[O:6])-[O:8]	3	11187,28827,48984
+[c:1]:1:[c:2]:[n:3](-[S:4](=[O:5])(=[O:6])-[C:7]):[n:8]:[c:9]:1>>[S:4](=[O:5])(=[O:6])(-[C:7])-[Cl:10].[c:1]:1:[c:2]:[n:3]:[n:8]:[c:9]:1	3	11239,44914,45137
+[C:1]-[C:2](-[C:3]-[C:4]-[C:5](-[c:6](:[n:7]):[s:8])=[O:9])=[O:10]>>[C:1]-[C:2](-[C:3]=[C:4])=[O:10].[C:5](-[c:6](:[n:7]):[s:8])=[O:9]	3	11253,11254,15416
+[c:1]:[c:2](:[c:3])-[Br:8]>>[c:1]:[c:2]:[c:3].[C:4]-1(=[O:5])-[N:6](-[Br:7])-[C:10](=[O:9])-[N:11]-[C:12](=[O:13])-[N:14]-1-[Br:8]	3	11287,41581,41582
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:10](-[C:9])=[O:11].[c:1]-[N:2]	3	11300,14029,52849
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[Br:5].[O:3]	3	11313,42954,42985
+[c:1](:[c:2]:[c:3]):[c:5](:[c:4])-[N:6]>>[c:1](:[c:2](:[c:3])-[N+:6](=[O:7])-[O-:8]):[c:5]:[c:4]	3	11346,14452,43876
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[n:5]:[c:6]:[n:7](-[c:8](:[n:9]):[c:10]):[c:11]:2:[n:12]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](-[N+:5](=[O:15])-[O-:16]):[c:11](-[N:7]-[c:8](:[n:9]):[c:10]):[n:12]:1.[C:6](-[N:13])=[N:14]	3	11358,27431,27432
+[O:1]-[B:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)-[O:8]>>[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:1)-[Br:9].[O:1]-[B:2](-[O:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	3	11457,12022,28201
+[c:1]:1:[n:2]:[n:3]:[n:4]:[n:5]:1>>[c:1]:1:[n:2]:[n:3]:[n:4]:[n:5]:1-[C:9]-[C:8]-[C:7]#[N:6]	3	11486,20037,22078
+[C:1]-[N:2](-[C:3]-[C:4]=[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[C:4]=[C:5])-[Cl:7]	3	11517,37689,42793
+[C:1](-[C:2])-[C:4]-[O:3]>>[C:1](-[C:2])=[C:4]-[O:3]	3	11613,13997,34621
+[c:1]:1:[n:2]:[c:3]:[n:4](-[C:5](-[C:6])-[C:7]):[c:8]:1:[n:9]>>[C:5](-[C:6])(-[C:7])-[Br:10].[c:1]:1:[n:2]:[c:3]:[n:4]:[c:8]:1:[n:9]	3	11682,11683,26360
+[C:1]-[C:2](-[C:3])-[C:4]>>[C:1]-[C:2](-[C:3])=[C:4]	3	11690,25500,46810
+[c:1]:1:[c:2](-[C:3](-[C:4])=[O:8]):[c:5]:[c:6]:[o:7]:1>>[C:3](-[C:4])(=[O:8])-[Cl:9].[c:1]:1:[c:2]:[c:5]:[c:6]:[o:7]:1	3	11707,29858,37724
+[N:1](-[O:2])-[C:3]=[O:4]>>[N:1](-[O:2]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1)-[C:3]=[O:4]	3	11718,54956,56612
+[C:1](-[C:2](=[O:3])-[O:12])-[N:10](-[c:5]:1:[c:4]:[c:9]:[n:8]:[c:7]:[n:6]:1)-[C:11]>>[C:1](-[C:2](=[O:3])-[O:12])-[N:10]-[C:11].[c:4]:1:[c:5](:[n:6]:[c:7]:[n:8]:[c:9]:1)-[Cl:13]	3	11754,13086,27086
+[c:1]:1:[c:2](-[c:3]:2:[n:4]:[c:5](-[N:6]):[n:7]:[c:8]:[c:9]:2):[c:10]:[n:11]:[n:12]:1>>[N:4]-[C:5](-[N:6])=[N:7].[c:1]:1:[c:2](-[C:3](-[C:9]=[C:8]-[N:14](-[C:13])-[C:15])=[O:16]):[c:10]:[n:11]:[n:12]:1	3	11755,11757,32000
+[n:1]:[n:2](:[c:3](:[c:4])-[Cl:8]):[c:6](:[c:5]):[c:7]>>[n:1]:[n:2](:[c:3]:[c:4]):[c:6](:[c:5]):[c:7].[Cl:8]-[C:10](-[Cl:9])(-[Cl:11])-[Cl:12]	3	11770,11781,12221
+[N:1]-[c:2]>>[N:1](-[c:2])-[C:5](-[O:4]-[C:3])=[O:6]	3	11812,48139,52996
+[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[C:7](=[O:8])-[N:9]-[S:10]>>[N:9]-[S:10].[N:1]-[C:2](=[O:3])-[C:4]=[C:5]-1-[O:6]-[C:12](-[C:11])(-[C:13])-[O:14]-[C:7]-1=[O:8]	3	11820,45323,45583
+[C:1]-[C:2]=[C:3]-[C:4]-[O:5]>>[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:8]-[C:7]-[C:6]	3	11844,24955,27046
+[O:1]=[C:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:13]:1:[c:12]:[c:8](:[c:7])-[c:9](:[c:10]):[c:11]>>[c:9](:[c:10])(:[c:11])-[Br:23].[O:1]=[C:2]-[N:21](-[C:20])-[C:22].[c:3]:1:[c:4]:[n:5]:[c:6]:[c:13]:1:[c:12]:[c:8](:[c:7])-[B:17]-2-[O:16]-[C:15]-[C:25](-[C:14])(-[C:19]-[O:18]-2)-[C:24]	3	11885,28807,28808
+[N:1]-[C:7](-[N:3](-[C:2])-[c:4](:[c:5]):[c:6])=[O:8]>>[c:4](:[c:5])(:[c:6])-[Br:9].[N:1]-[C:7](-[N:3]-[C:2])=[O:8]	3	11951,41614,49721
+[N:1]#[C:2]-[c:3](:[c:4]:[c:5]:[n:7]):[c:6]>>[c:3](:[c:4]:[c:5]:[n:7])(:[c:6])-[Br:8].[N:1]#[C:2]	3	12003,40014,41172
+[O:1]=[C:2]-[C:3]#[C:4]>>[O:1]-[C:2]-[C:3]#[C:4]	3	12013,34614,57312
+[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[N:6]-[C:7]-1=[C:8](-[C:9])-[N:10]-[N:11]-[C:12]-1=[O:13]>>[N:6]-[C:7]-1=[C:8](-[C:9])-[N:10]-[N:11]-[C:12]-1=[O:13].[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[O:14]	3	12070,12494,12495
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:7]-[C:6].[C:1]-[O:2]	3	12090,12519,18407
+[C:1](=[O:2])(-[C:3](-[O:4])-[C:5])-[O:6]>>[C:1](=[O:2])(-[C:3](-[C:5])-[N:7])-[O:6].[O:4]	3	12119,26607,42967
+[O:1]=[C:2](-[C:3]=[C:4]-[c:5])-[N:6]>>[C:4](-[c:5])=[O:15].[O:1]=[C:2](-[C:3]-[P:10](-[O:9]-[C:8]-[C:7])(=[O:11])-[O:12]-[C:13]-[C:14])-[N:6]	3	12239,38503,43433
+[c:1]:[c:2](-[C:3](-[N:4])=[O:5]):[o:6]>>[c:1]:[c:2](-[C:3](=[O:5])-[O:9]-[C:8]-[C:7]):[o:6].[N:4]	3	12259,40779,40900
+[C:1](=[O:2])(-[c:3](:[c:4]):[n:5])-[O:6]>>[C:1](=[O:2])-[c:3](:[c:4]):[n:5].[O:6]-[O:10]-[S:8](=[O:7])-[O:9]	3	12261,29742,47399
+[C:1]-[C:2]-1=[C:3]-2-[C:4](=[O:5])-[N:6]=[C:7](-[c:8])-[N:9]=[C:10]-2-[N:11](-[C:12])-[N:13]-1>>[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[N:6]):[c:10](-[N:9]):[n:11](-[C:12]):[n:13]:1.[C:7](-[c:8])=[O:14]	3	12262,12263,12264
+[C:1]-1(-[C:2](-[O:3]-[C:7])(-[c:4])-[O:8]-1)(-[C:5])-[C:6]>>[C:1](-[C:2](-[c:4])=[O:8])(-[C:5])(-[C:6])-[Br:9].[O:3]-[C:7]	3	12294,12651,33137
+[C:1]-[N:2](-[C:3])-[C:6](=[N:5]-[c:4])-[N:7]>>[C:1]-[N:2]-[C:3].[c:4]-[N:5].[C:6](#[N:7])-[Br:8]	3	12492,41205,41206
+[C:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[O:6].[C:1]-[O:2]	3	12525,21891,27154
+[c:1](:[c:2])(:[c:4]:[n:3])-[B:6](-[O:5])-[O:7]>>[c:1](:[c:2])(:[c:4]:[n:3])-[Br:10].[O:5](-[B:6](-[O:7]-[C:18](-[C:8])-[C:9])-[O:14]-[C:12](-[C:11])-[C:13])-[C:15](-[C:16])-[C:17]	3	12534,27189,27210
+[N:1]-1-[N:2]-[C:3]-[N:4](-[c:5](:[n:6]):[s:7])-[C:8]-1=[O:9]>>[N:1](-[N:2])-[C:8](-[N:4]-[c:5](:[n:6]):[s:7])=[O:9].[C:3]=[O:10]	3	12566,16623,16709
+[C:1]-[O:2]-[C:3](=[N:4])-[N:5]>>[C:3](#[N:4])-[N:5].[C:1]-[O:2]	3	12666,14301,29401
+[C:1]-[N:2](-[C:3](-[C:4])=[O:6])-[C:5]>>[C:3](-[C:4])(=[O:6])-[O:8]-[C:7].[C:1]-[N:2]-[C:5]	3	12670,12723,15644
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[s:8]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[c:2]:[n:3]:[c:4](:[s:8]:1)-[Cl:9]	3	12703,14699,41676
+[C:1]-[C:2](=[C:3](-[C:4]-[N:5](-[C:6])-[C:7])-[N:8])-[C:9]>>[N:5](-[C:6])-[C:7].[C:1]-[C:2](=[C:3](-[C:4]-[Br:10])-[N:8])-[C:9]	3	12751,16314,36409
+[c:1]:[c:2](-[N:3]-[c:4](:[c:5]):[c:7]:[n:6]):[n:8]>>[c:4](:[c:5])(:[c:7]:[n:6])-[Br:9].[c:1]:[c:2](-[N:3]):[n:8]	3	12852,20179,23124
+[c:1]:1:[c:2](-[N:3](-[C:4])-[C:5]):[n:6]:[c:7](:[c:8]):[c:9]:1>>[N:3](-[C:4])-[C:5].[c:1]:1:[c:2](:[n:6]:[c:7](:[c:8]):[c:9]:1)-[Cl:10]	3	12891,13817,19469
+[c:1]:[c:2]:1:[c:3](:[o:4]:[c:5](-[N:6](-[C:7])-[C:8]):[n:9]:1):[c:10]>>[N:6](-[C:7])-[C:8].[c:1]:[c:2]-1:[c:3](-[O:4]-[C:5](-[N:9]-1)=[S:11]):[c:10]	3	12893,14985,18711
+[c:1]:[c:2]:1-[N:3]-[C:4](-[C:5])-[C:6]-[C:7]-[c:8]:1:[c:9]>>[c:1]:[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:[c:7]:[c:8]:1:[c:9]	3	12969,35918,56987
+[c:1]-[C:2](-[C:3])-[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[n:8]>>[c:1]-[C:2](-[C:3])-[Cl:10].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[n:8]	3	12974,33321,34385
+[O:1]=[C:2]-[N:6](-[C:4](-[N:3])=[O:5])-[O:7]>>[O:1]=[C:2]-[N:6](-[C:4](-[N:3])=[O:5])-[O:7]-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1	3	12977,56614,56615
+[C:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[C:1]=[C:2]-[c:3](:[n:4]):[c:5]	3	12997,17904,24269
+[N:1](-[c:2]:1:[c:3]:[c:4](:[n:5]):[n:6]:[c:7]:[c:8]:1)-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]>>[c:2]:1(:[c:3]:[c:4](:[n:5]):[n:6]:[c:7]:[c:8]:1)-[Br:16].[N:1]-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]	3	13005,21940,21943
+[c:1](:[c:2]:[c:3](-[N:4](-[C:5])-[C:7](-[C:6])=[O:8]):[c:9]):[n:10]>>[N:4](-[C:5])-[C:7](-[C:6])=[O:8].[c:1](:[c:2]:[c:3](:[c:9])-[Br:11]):[n:10]	3	13070,19761,23138
+[O:1]=[C:2](-[C:3])-[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[N:9]>>[O:1]=[C:2](-[C:3])-[O:17].[N:4](-[C:5])(-[C:6]-[C:7](=[O:8])-[N:9])-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16]	3	13205,19984,22852
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[O:1]-[C:2](=[O:3])-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1	3	13214,13870,13889
+[c:1]:[c:2](-[C:3](=[O:4])-[O:6]-[C:8]):[c:5]>>[c:1]:[c:2](:[c:5])-[Br:9].[C:3](=[O:4])(-[O:7])-[C:10].[O:6]-[C:8]	3	13320,32852,32853
+[C:1](-[C:2](=[C:3](-[C:4])-[Cl:7])-[C:5])=[O:6]>>[C:2](-[C:3](-[C:4])=[O:8])-[C:5].[C:1](=[O:6])-[N:10](-[C:9])-[C:11].[Cl:7]-[P:13](=[O:12])(-[Cl:14])-[Cl:15]	3	13349,29533,32068
+[c:1]:1:[n:2]:[c:3]:[n:4](-[C:5]-[C:6]):[c:7]:1:[n:8]>>[C:5](-[C:6])-[Br:9].[c:1]:1:[n:2]:[c:3]:[n:4](:[c:7]:1:[n:8])-[C:28]-[C:27]-[C:26]-[C:25]-2-[N:20](-[C:11](=[O:10])-[O:12]-[C:13]-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3)-[C:21]-[C:22]-[C:23]-[C:24]-2	3	13432,13451,52582
+[N:1](-[C:2])-[C:3]>>[N:1](-[C:2])(-[C:3])-[C:5]=[O:4]	3	13461,14162,45414
+[N:1]#[C:2]-[c:3](:[c:4]):[n:6]:[n:5]>>[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:7].[N:1]#[C:2]	3	13564,23033,41075
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[n:6]):[n:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](=[O:4])(-[c:5](:[n:6]):[n:7])-[O:11]-[C:10]-[C:9]	3	13658,14664,21641
+[O:1]-[C:2](-[C:3]-[N:4](-[C:5])-[C:6])=[C:7]-[C:8]>>[N:4](-[C:5])-[C:6].[O:1]-[C:2](-[C:3]-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12])=[C:7]-[C:8]	3	13684,15607,15610
+[c:1]:[c:2](-[N:3](-[C:4])-[C:6](-[O:5])=[O:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[N:3](-[C:4])-[C:6](-[O:5])=[O:7]	3	13936,43781,43783
+[c:1]:[c:2](-[N:3]):[n:4]:[c:5]:[c:6]>>[c:1]:[c:2](:[n:4]:[c:5]:[c:6])-[Cl:7].[N:3]=[C:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:20]:[c:19]:1)-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2	3	13952,31938,52116
+[c:1]-1:[c:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])=[N:8]-1>>[c:1](:[c:2]-[C:3](=[O:4])-[O:9])-[N:8]-[C:6](=[O:5])-[C:7]	3	14031,49672,49863
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[B:3](-[O:4])-[O:5]	3	14038,22910,28540
+[c:1]-[C:2]-[S:3]-[c:4](:[n:5]):[n:6]>>[c:1]-[C:2]-[Br:7].[S:3]-[c:4](:[n:5]):[n:6]	3	14092,14255,49453
+[C:1]-1=[N:2]-[N:3](-[C:4])-[C:5](=[O:6])-[N:7]-1>>[C:1]-1=[N:2]-[N:3]-[C:5](=[O:6])-[N:7]-1.[C:4]-[I:8]	3	14104,31475,31699
+[c:1]:1:[c:2]:[s:3]:[c:4]:[c:5]:1>>[c:1]:1:[c:2](:[s:3]:[c:4]:[c:5]:1)-[Br:6]	3	14170,44516,54276
+[N:1]-[C:2](=[S:3])-[C:4]>>[N:1]#[C:2]-[C:4].[S:3]	3	14171,16081,39966
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[N+:3](-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10])(=[O:12])-[O-:13].[c:1]-[C:2]=[O:11]	3	14172,42800,55141
+[c:1]-[C:2]-[F:3]>>[c:1]-[C:2]-[O:12].[F:3]-[S:9](-[N:6](-[C:5]-[C:4])-[C:7]-[C:8])(-[F:10])-[F:11]	3	14182,22123,40239
+[c:1]:[c:2](-[c:3]:1:[c:4](:[n:5]):[n:6]:[n:7]:[c:8]:1):[c:9]>>[c:3]:1(:[c:4](:[n:5]):[n:6]:[n:7]:[c:8]:1)-[Br:10].[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13]	3	14300,30242,53404
+[N:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[N:1]-[C:2](=[O:3])-[N:4]-[O:5]-[C:10]-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:1	3	14323,20551,26018
+[O:1]=[C:2](-[N:3]-[C:4])-[N:5]>>[O:1]=[C:2](-[N:5])-[Cl:6].[N:3]-[C:4]	3	14345,14347,31923
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5]):[c:6]>>[C:3]=[C:4]-[C:5].[c:1]:[c:2](:[c:6])-[Br:7]	3	14365,18361,25923
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[c:7]):[n:8]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:9]):[n:8].[N:5](-[C:6])-[c:7]	3	14423,32400,51421
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]=[O:6]>>[C:3](=[O:4])(-[C:5]=[O:6])-[Cl:7].[c:1]-[N:2]	3	14444,51748,53568
+[s:1]:[c:2]:1:[c:3](:[n:4]:[c:5]:[n:6]:[c:7]:1)-[Cl:8]>>[s:1]:[c:2]:1:[c:3](:[n:4]:[c:5]:[n:6]:[c:7]:1)-[O:13].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	3	14490,35251,35465
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[c:6](:[c:7]:[c:9]:[n:10]:1):[c:8]):[c:11]:[n:12]>>[c:4]:1(:[n:5]:[c:6](:[c:7]:[c:9]:[n:10]:1):[c:8])-[Cl:13].[n:1]:[c:2]:[c:3](:[c:11]:[n:12])-[B:15](-[O:14])-[O:16]	3	14498,14499,20851
+[c:1]-[C:2](=[O:3])-[N:4]>>[c:1]-[C:2]#[N:4].[O:3]=[S:6](=[O:5])(-[O:7])-[O:8]	3	14517,36311,45799
+[c:1](:[n:2]):[c:3]-[C:4](-[N:5])=[O:6]>>[c:1](:[n:2]):[c:3]-[C:4](=[O:6])-[O:8]-[C:7].[N:5]	3	14549,22368,40894
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[c:6])-[c:7](:[c:8]:[n:9]):[n:10]>>[N:3]-[c:4](:[n:5]):[c:6].[O:1]=[C:2](-[c:7](:[c:8]:[n:9]):[n:10])-[O:11]	3	14550,20128,20129
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10].[C:1]-[C:2](=[O:11])-[O:12]	3	14589,28832,42527
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[c:6](:[c:7]:[c:9]:[n:10]:1):[c:8]):[c:11]:[n:12]>>[c:4]:1(:[n:5]:[c:6](:[c:7]:[c:9]:[n:10]:1):[c:8])-[Cl:18].[n:1]:[c:2]:[c:3](:[c:11]:[n:12])-[B:13]-1-[O:14]-[C:15](-[C:16])(-[C:17])-[C:20](-[C:19])(-[C:21])-[O:22]-1	3	14598,15882,22911
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[o:8]>>[c:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[c:6](:[c:7]):[o:8])-[Cl:9]	3	14619,36037,45521
+[C:1]-[C:2](-[C:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](-[C:3])-[O:15]-[S:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[C:7]):[c:17]:[c:16]:1)(=[O:13])=[O:14]	3	14693,32599,46085
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]:[n:7]>>[N:3](-[C:4])-[C:5].[c:1]:[c:2](:[c:6]:[n:7])-[F:8]	3	14819,23506,32564
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[C:4])(-[C:5])-[I:7]	3	14831,22599,26926
+[C:1]-[N:2](-[C:3])-[C:4]>>[C:1]-[N:2]-[C:4].[C:3]-[O:5]	3	14928,29577,33154
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[c:1]-[S:2](=[O:3])(=[O:4])-[O:8]	3	14988,15739,27074
+[N:1]-[C:2](=[O:3])-[c:4]:[c:5]:[o:6]>>[C:2](=[O:3])(-[c:4]:[c:5]:[o:6])-[O:8]-[C:7].[N:1]	3	15152,40848,40953
+[o:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]>>[N:4](-[C:5])-[C:6].[o:1]:[c:2](-[C:3]=[O:8]):[c:7]	3	15160,15774,45151
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[N:6])-[C:7]>>[C:1]-[N:2]-[C:7].[S:3](=[O:4])(=[O:5])(-[N:6])-[N:8]	3	15162,42364,42366
+[O:1]-[C:2]-[C:3]-[n:4]:1:[c:5]:[c:6]:[c:7]:[c:9]:1:[c:8]>>[O:1]-1-[C:2]-[C:3]-1.[n:4]:1:[c:5]:[c:6]:[c:7]:[c:9]:1:[c:8]	3	15257,51391,54066
+[c:1]-[C:2]-[O:3]>>[c:1]-[C:2](-[O:3])(-[C:4])-[C:5]	3	15265,24469,26120
+[O:1]-[C:2](-[C:3])-[O:4]>>[O:1]=[C:2](-[C:3])-[O:4]	3	15270,39699,57033
+[c:1](:[n:2]):[c:4](:[c:3])-[B:6](-[O:5])-[O:7]>>[c:1](:[n:2]):[c:4]:[c:3].[O:5](-[B:6](-[O:7]-[C:15](-[C:16])-[C:17])-[O:11]-[C:9](-[C:8])-[C:10])-[C:12](-[C:13])-[C:14]	3	15308,22920,27216
+[C:1]-[C:2](-[N:3](-[C:4]-[C:5]=[C:6])-[C:7])=[O:8]>>[C:1]-[C:2](=[O:8])-[O:9].[N:3](-[C:4]-[C:5]=[C:6])-[C:7]	3	15354,27846,32531
+[C:1]-[C:2](-[O:3])-[C:4]>>[C:2](=[O:3])-[C:4].[C:1]-[Li:5]	3	15362,26670,27421
+[C:1](=[O:2])(-[O:3]-[C:4])-[Cl:5]>>[O:3]-[C:4].[C:1](=[O:2])(-[Cl:5])-[Cl:6]	3	15374,34939,34960
+[n:1]:[c:2](-[C:3]-[O:4]-[C:5]):[c:6]>>[O:4]-[C:5].[n:1]:[c:2](-[C:3]-[Cl:7]):[c:6]	3	15375,32731,33189
+[C:1]-[N:2](-[C:3](=[O:4])-[Cl:6])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](=[O:4])(-[Cl:6])-[Cl:7]	3	15485,17872,34955
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[s:9]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2](-[N:3]):[s:9].[C:4](=[O:5])(-[Cl:10])-[O:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	3	15515,15516,46074
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[s:6]:1):[c:7]):[c:8]>>[N:1]-[C:2](-[N:3]-[c:4](:[c:5]:[c:7]):[c:8])=[S:6]	3	15521,15923,50424
+[c:1]:1:[c:2](-[Cl:3]):[n:4]:[n:5]:[c:6]:1>>[c:1]:1:[c:2]:[n:4]:[n:5]:[c:6]:1.[Cl:3]-[C:11](-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10])(-[Cl:12])-[Cl:13]	3	15527,34816,34818
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[Cl:4].[N:1]	3	15815,40752,40944
+[c:1]-[N:3](-[C:2])-[N:4]=[O:5]>>[c:1]-[N:3]-[C:2].[N:4](=[O:5])-[O:6]	3	15825,17902,47234
+[c:1]:[c:2](-[C:3]=[C:4]-1-[C:5](=[O:6])-[N:7]-[c:8](:[c:9]-1:[c:10]:[n:11]):[n:12]):[n:13]>>[c:1]:[c:2](-[C:3]=[O:14]):[n:13].[C:4]-1-[C:5](=[O:6])-[N:7]-[c:8](:[c:9]-1:[c:10]:[n:11]):[n:12]	3	15834,32357,48925
+[N:1]-[C:2]=[C:3](-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[c:10](:[c:11]):[o:12]>>[N:1]-[C:2]=[C:3](-[c:10](:[c:11]):[o:12])-[Br:13].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[B:18]-2-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-2)(-[C:21])-[C:22]	3	15850,28326,29253
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]:[n:8]>>[c:3](:[c:4])(:[c:6]:[n:5])-[I:18].[c:1]:[c:2](:[c:7]:[n:8])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	3	15901,28511,29273
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:8]:[c:6](:[n:5]:1)-[C:7]>>[c:1]:[c:4](:[c:3](:[c:2])-[N+:8](=[O:10])-[O-:11])-[N:5]-[C:6](-[C:7])=[O:9]	3	15906,37447,49675
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[s:8]:1>>[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12].[c:1]:1:[n:2]:[c:3]:[c:4](:[s:8]:1)-[Br:9]	3	15932,42780,46728
+[C:1](-[c:2](:[n:3]):[c:4])=[O:5]>>[C:1](-[c:2](:[n:3]):[c:4])(=[O:5])-[O:7]-[C:6]	3	15969,49213,49789
+[S:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:4](-[C:5])-[O:6].[S:1]-[N:2]-[C:3]	3	15996,24827,32377
+[n:1]:[c:2]:[c:3]-[C:4](-[N:5]-[N:6]-[C:7](-[C:8])=[O:9])=[O:10]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:10])-[O:11].[N:5]-[N:6]-[C:7](-[C:8])=[O:9]	3	16093,22557,42335
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8](:[c:9]:[n:10]):[c:12]:[n:11]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8](:[c:9]:[n:10]):[c:12]:[n:11])-[O:13]	3	16128,17447,17505
+[C:1](-[C:2])(-[N:3])=[S:4]>>[C:1](-[C:2])(-[N:3])=[O:14].[S:4]=[P:11]-1-2-[S:10]-[P:7]-3(-[S:6]-[P:18](=[S:5])(-[S:13]-1)-[S:17]-[P:16](-[S:9]-3)(-[S:12]-2)=[S:15])=[S:8]	3	16177,43260,47429
+[N:1]#[C:2]-[C:3]=[C:4](-[c:5])-[c:6]>>[C:4](-[c:5])(-[c:6])=[O:15].[N:1]#[C:2]-[C:3]-[P:10](-[O:9]-[C:8]-[C:7])(=[O:11])-[O:12]-[C:13]-[C:14]	3	16350,33398,43430
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]=[C:9](-[N:10]-[C:11])-[S:12]>>[N:8]-[C:9](=[N:10]-[C:11])-[S:12].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:20]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]	3	16354,21079,21175
+[N:1](-[C:2])-[C:3]>>[N:1](-[C:2])(-[C:3])-[S:9](-[c:8]:1:[c:7]:[c:6]:[c:5](-[C:4]):[c:13]:[c:12]:1)(=[O:10])=[O:11]	3	16386,52078,53968
+[c:1]-[C:2]-[S:3]-[c:4]>>[c:1]-[C:2]-[Cl:5].[S:3]-[c:4]	3	16419,25708,51805
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5](:[n:6]):[n:7]):[c:8](-[C:9]):[c:10]:1>>[N:3]-[N:4]-[c:5](:[n:6]):[n:7].[C:1]-[C:2](-[C:10]-[C:8](-[C:9])=[O:11])=[O:12]	3	16430,16791,16802
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[s:13]:1>>[C:6](=[O:7])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[s:13]:1)-[O:14].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5].[N:8](=[N+:16]=[N-:15])-[P:17](=[O:18])(-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1)-[c:25]:2:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:2	3	16435,17920,17981
+[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[c:7]:2:[c:8]-1:[n:9]:[c:10]:[n:11]:2>>[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[C:7](=[C:8]-1-[N:9])-[N:11].[C:10](=[O:12])-[O:13]	3	16460,36174,41633
+[N:1]-1-[C:2](=[O:3])-[N:4](-[C:5])-[C:6](=[O:7])-[C:8]=[C:9]-1>>[N:1]-1-[C:2](=[O:3])-[N:4]-[C:6](=[O:7])-[C:8]=[C:9]-1.[C:5]-[I:10]	3	16461,16464,24870
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[O:5]-1>>[C:1]-[C:2](-[C:3])=[C:4].[O:5]-[O:8]-[C:7](=[O:6])-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13](-[Cl:14]):[c:15]:1	3	16509,19356,36554
+[C:1](-[C:2])(-[C:3]-[C:4]-[C:5](-[c:6])=[O:8])=[O:7]>>[C:1](-[C:2])(-[C:3]=[C:4])=[O:7].[C:5](-[c:6])=[O:8]	3	16515,16518,16521
+[C:1](-[C:2])(-[N:4]-[c:3])=[O:5]>>[C:1](-[C:2])(=[O:5])-[O:7]-[C:6].[c:3]-[N+:4](=[O:8])-[O-:9]	3	16545,50877,51598
+[C:1](-[C:2](-[O:3]-[c:4])-[C:5])-[O:6]>>[C:1]=[C:2]-[C:5].[O:3]-[c:4].[O:6]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1	3	16546,32028,36588
+[C:1]-[N:2](-[C:3])-[C:4](-[C:5])-[C:6]>>[C:3]=[O:8].[C:4](-[C:5])(-[C:6])=[O:7].[C:1]-[N:2]	3	16613,16614,16615
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]-[O:6])(-[c:7])-[c:8]>>[C:5]=[O:6].[N:1]-[C:2](=[O:3])-[C:4](-[c:7])-[c:8]	3	16665,16728,16733
+[c:1]-[N:2]-1-[C:3]-[N:4](-[c:5])-[C:6]-[C:7]-1=[O:8]>>[C:3]=[O:9].[c:1]-[N:2]-[C:7](-[C:6]-[N:4]-[c:5])=[O:8]	3	16711,16712,16755
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[C:7]):[c:8]:1>>[C:1]-[C:2](-[C:8]-[C:6](-[C:7])=[O:9])=[O:10].[N:3]-[N:4]-[c:5]	3	16794,16801,29649
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[s:7]>>[C:1]-[C:2](=[O:3])-[O:11]-[C:9](-[C:8])=[O:10].[N:4]-[c:5](:[c:6]):[s:7]	3	16834,17059,17078
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:[n:6]:[c:7]:2-[C:8]):[c:9]:[c:10]:1>>[c:1]:1:[n:2]:[n:3]:[c:4](-[N:5]-[N:6]-[C:7](-[C:8])=[O:11]):[c:9]:[c:10]:1	3	17129,50750,54984
+[c:1]-[N:2]>>[c:1]-[N:2]-[C:4]=[O:3]	3	17234,37876,43908
+[C:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[C:1]-[C:2](=[O:3])-[Cl:6].[N:4]-[S:5]	3	17327,17344,29676
+[c:1]:[c:2]:1:[n:3]:[c:4](-[C:5]):[n:7](-[C:6]):[c:8]:1:[c:9]>>[c:1]:[c:2](-[N+:3](=[O:10])-[O-:11]):[c:8](-[N:7](-[C:4](-[C:5])=[O:12])-[C:6]):[c:9]	3	17380,56643,56650
+[C:1]-[C:2](-[C:4](=[C:3]-[N:8])-[C:5](=[O:6])-[O:7])=[O:9]>>[C:1]-[C:2](-[C:4]-[C:5](=[O:6])-[O:7])=[O:9].[C:3](-[N:8])(-[O:11]-[C:10])-[O:12]-[C:13]	3	17469,29650,29652
+[o:1]:[c:2]:1:[c:3]:[c:4](-[O:5]-[C:6]):[n:7]:[c:8]:[n:9]:1>>[O:5]-[C:6].[o:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[n:9]:1)-[Cl:10]	3	17477,19354,52415
+[N:1](=[C:2]-[c:3](:[c:4]):[c:5])-[C:6]>>[N:1](-[C:2]=[O:7])-[C:6].[c:3](:[c:4]):[c:5]	3	17496,26442,56709
+[n:1]:[c:2](-[c:3]:1:[c:4]:[n:5](:[n:6]:[n:7]:1)-[C:9]):[c:8]>>[N:5](=[N+:6]=[N-:7])-[C:9].[n:1]:[c:2](-[C:3]#[C:4]):[c:8]	3	17576,23051,55874
+[C:1]-1-[C:2]-[C:3](=[O:4])-[C:5]-1>>[C:1]-1-[C:2]-[C:3](=[O:4])-[C:5]-1(-[Cl:6])-[Cl:7]	3	17592,35025,52616
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5]-[N:6](-[C:7](-[C:8]-[C:9]-1=[O:10])-[c:11])-[C:12]>>[N:6](=[C:7]-[c:11])-[C:12].[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[O:15]-[C:14]-[C:13])-[C:9](-[C:8])=[O:10]	3	17610,26535,43940
+[C:1]-1=[C:2]-[N:3]-[C:4](=[C:5]-[C:6]-1=[O:7])-[c:8]>>[C:1]-1=[C:2]-[N:3]-[C:4](-[C:5]-[C:6]-1=[O:7])-[c:8]	3	17611,56667,56752
+[C:1]-[C:2]-1-[C:3]-[C:4](=[O:5])-[C:6]-1(-[Cl:7])-[Cl:8]>>[C:1]-[C:2]=[C:3].[C:4](=[O:5])(-[C:6](-[Cl:7])(-[Cl:8])-[Cl:10])-[Cl:9]	3	17615,30961,34831
+[c:1]-[C:2](=[C:3])-[C:4]>>[c:1]-[C:2](-[C:4])=[O:19].[C:3]-[P+:24](-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:23]:3:[c:17]:[c:18]:[c:20]:[c:21]:[c:22]:3	3	17627,28770,36256
+[N:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[N:1]-[C:2](=[O:3])-[O:9]-[C:7](=[C:6])-[C:8]	3	17660,17661,17662
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[N:3]=[C:4](-[C:5])-[N:6]-[O:7].[C:1]-[C:2](=[O:8])-[Cl:9]	3	17694,34830,43989
+[c:1](-[C:2]-[N:3]-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]):[c:11]:[n:12]>>[c:1](-[C:2]#[N:3]):[c:11]:[n:12].[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:20]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]	3	17726,20928,21254
+[N:1]-[S:2](=[O:3])(=[O:4])-[n:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:1>>[n:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:1.[N:1]-[S:2](=[O:3])(=[O:4])-[Cl:10]	3	17728,25746,45527
+[C:1]-[C:2](-[C:3])(-[C:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](-[C:3])(-[C:4])-[Cl:8].[c:5](:[c:6]):[c:7]	3	17746,17747,25874
+[C:1](=[O:2])-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[C:1](=[O:2])-[C:3](=[O:4])-[O:7]	3	17768,36762,37478
+[O:1]-[C:2]-[C:3]=[C:4]>>[O:1](-[C:2]-[C:3]=[C:4])-[Si:9](-[C:6](-[C:5])(-[C:7])-[C:8])(-[C:10])-[C:11]	3	17808,24818,24908
+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[C:7]-[C:8]-1>>[c:1]-[C:2](-[C:8]-[C:7]-[C:5](=[O:6])-[O:10]-[C:9])=[O:11].[N:3]-[N:4]	3	17843,17845,17846
+[n:1]:[c:2]:[c:3](-[C:4](-[N:5])=[O:6]):[c:7]:[n:8]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:6])-[O:9]):[c:7]:[n:8].[N:5]	3	17905,27142,40658
+[c:1](:[n+:2](-[O-:3]):[c:4]:[n:5]):[c:6]>>[c:1](:[n:2]:[c:4]:[n:5]):[c:6].[O:3]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1	3	17910,36595,36716
+[c:1]:[c:2](:[n:3])-[N:5]>>[c:1]:[c:2](:[n:3])-[N:5]-[C:7](-[C:4])(-[C:6])-[C:8]	3	17913,17914,17915
+[O:1]-[C:2]-[C:3](-[O:4])-[C:5]>>[C:2]=[C:3]-[C:5].[O:4]-[C:7](-[C:6])(-[C:8])-[C:9].[O:1]	3	17918,17939,17940
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8]>>[C:1]-[C:2](=[O:3])-[O:9].[O:4]-[C:5](-[C:6])(-[C:7])-[C:8]	3	17919,17990,17991
+[c:1](:[c:2]-[C:3](=[O:4])-[O:6]):[n:5]>>[c:1](:[c:2]-[C:3]=[O:4]):[n:5].[O:6]-[C:8](-[C:7])(-[C:9])-[C:10]	3	17925,17965,17985
+[c:1]-[C:2]-[C:4](=[O:3])-[O:5]>>[c:1]-[C:2](-[C:4](=[O:3])-[O:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	3	17994,17995,18054
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7]	3	18043,18622,21649
+[C:1](-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7])-[C:8](=[O:9])-[O:10]>>[C:1](-[N:2])-[C:8](=[O:9])-[O:10].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:11]	3	18244,30751,36896
+[c:1]:[c:2](:[c:3])-[I:4]>>[c:1]:[c:2](:[c:3])-[Br:5].[I:4]	3	18265,40455,40461
+[n:1]:[c:2](-[C:3]-1=[N:4]-[C:5](=[O:6])-[c:7]:[c:8]-[S:9]-1):[c:10]>>[n:1]:[c:2](-[C:3]#[N:4]):[c:10].[C:5](=[O:6])(-[c:7]:[c:8]-[S:9])-[O:12]-[C:11]	3	18276,21688,43222
+[C:1]-[C:2]=[N:3]-[C:4]-[C:5](=[O:6])-[O:7]>>[N:3]-[C:4]-[C:5](=[O:6])-[O:7].[C:1]-[C:2]=[O:8]	3	18281,18282,18283
+[C:1]-[N:2]>>[C:1]-[N:2]-[C:4](=[O:3])-[O:5]-[C:6]-[C:7]-1-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]-1:3	3	18316,49861,49864
+[C:1]-[N:2]-[c:3](:[n:4]):[s:5]>>[C:1]-[N:2](-[c:3](:[n:4]):[s:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	3	18374,18377,18379
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2]-[O:5].[C:3]#[N:4]	3	18381,41040,41126
+[c:1]:[c:5]:1:[n:4](:[c:3]:[c:2]):[c:8](:[c:7]:[n:6]:1)-[Cl:9]>>[c:1]:[c:5]:1:[n:4](:[c:3]:[c:2]):[c:8]:[c:7]:[n:6]:1.[Cl:9]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15]	3	18433,44362,44388
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]-[O:4].[O-:3]-[I+3:6](-[O-:5])(-[O-:7])-[O:8]	3	18477,37523,44838
+[C:1]-[O:2]-[C:3](-[c:4])-[C:5]>>[C:1]-[O:2].[C:3](-[c:4])(-[C:5])-[O:6]	3	18492,21892,30484
+[C:1](-[C:2])=[O:3]>>[C:1](-[C:2])=[C:4].[O+:3](=[O:5])-[O-:6]	3	18505,40099,48104
+[c:1]:[c:2](-[N:3]-[C:4]):[n:5]>>[c:1]:[c:2](-[N:3](-[C:4])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]):[n:5]	3	18535,21848,21861
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-[C:10]-[O:11]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-1-[C:9]-[C:10]-[O:11]-[C:13]-1(-[C:12])-[C:14]	3	18565,21978,22009
+[n:1]:[c:2]:1:[c:3](-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[c:9]:[n:10]:[n:11]:1>>[N:6](-[C:7])-[C:8].[n:1]:[c:2]:1:[c:3](-[C:4](=[O:5])-[O:12]):[c:9]:[n:10]:[n:11]:1	3	18712,31976,39864
+[c:1]:[c:3](:[n:2]):[c:4](-[C:5]#[N:6]):[c:7]>>[c:1]:[c:3](:[n:2]):[c:4](:[c:7])-[Br:8].[C:5]#[N:6]	3	18735,37709,41076
+[C:1]-[C:2](-[N:3]=[N+:6]=[N-:5])-[C:4]>>[C:1]-[C:2](-[C:4])-[O:15]-[S:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[C:7]):[c:17]:[c:16]:1)(=[O:13])=[O:14].[N-:3]=[N+:6]=[N-:5]	3	18856,28688,48020
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[O:3])-[O:11]-[C:9](-[C:8]-[C:7])=[O:10]	3	18906,41681,44048
+[N:1]-[C:2](=[O:3])-[c:4](:[c:5]:[n:6]):[n:7]>>[N:1]#[C:2]-[c:4](:[c:5]:[n:6]):[n:7].[O:3]	3	18910,24308,43007
+[C:1](=[O:2])(-[c:3]:1:[n:4]:[n:5]:[c:6](:[c:7]:1-[C:8])-[C:9])-[O:10]>>[C:1](=[O:2])(-[C:3](-[C:7](-[C:6](-[C:9])=[O:12])-[C:8])=[O:11])-[O:10].[N:4]-[N:5]	3	18926,19415,42158
+[C:1]-[C:2]>>[C:1]-[C:2]#[N:3]	3	18931,18987,39580
+[c:1]:[c:10]:[n:9]:[c:3](:[c:2])-[N:4]-[c:5](:[n:6]):[c:8]:[n:7]>>[c:1]:[c:10]:[n:9]:[c:3](:[c:2])-[Br:11].[N:4]-[c:5](:[n:6]):[c:8]:[n:7]	3	19094,22612,54385
+[c:1]-[C:2]-[N:3](-[c:4])-[C:5]>>[N:3](-[c:4])-[C:5].[c:1]-[C:2]-[Cl:6]	3	19151,36497,38612
+[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1-[c:7](:[c:8]):[c:9]>>[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1.[c:7](:[c:8])(:[c:9])-[I:10]	3	19261,34538,50302
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1):[c:10]>>[n:1]:[c:2]:[c:3](:[c:10])-[B:19]-1-[O:18]-[C:16](-[C:11](-[C:12])(-[C:13])-[O:20]-1)(-[C:15])-[C:17].[c:4]:1(:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:14]	3	19309,28502,29277
+[C:1]-[C:2](-[N:3])=[O:4]>>[N:3](-[C:5])(-[C:6])-[C:7]=[O:8].[C:1]-[C:2](=[O:4])-[O:9]	3	19389,32079,32213
+[c:1]:1:[c:2]:[n:3](-[C:4]-[C:5]-[O:6]):[n:7]:[c:8]:1>>[C:4]-1-[C:5]-[O:6]-1.[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1	3	19401,28799,28802
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[c:6]:[c:8](:[n:7]):[c:9]:1>>[N:4]-[C:5].[c:1]:1:[n:2]:[c:3](:[c:6]:[c:8](:[n:7]):[c:9]:1)-[Cl:10]	3	19426,41856,51262
+[O:1]=[C:2](-[N:3])-[N:4](-[c:5](:[c:6]):[n:7])-[C:8]>>[N:4](-[c:5](:[c:6]):[n:7])-[C:8].[O:1]=[C:2](-[N:3])-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:9]:[c:15]:1	3	19458,38692,43217
+[n:1]:[c:2]:[c:3]:[c:4](-[N:5]-1-[C:6]=[C:7]-[C:8](-[c:9])=[C:10]-[C:11]-1=[O:12]):[c:13]>>[n:1]:[c:2]:[c:3]:[c:4](:[c:13])-[Br:14].[n:5]:1:[c:6]:[c:7]:[c:8](-[c:9]):[c:10]:[c:11]:1-[O:12]	3	19762,23137,23141
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[o:8]:1>>[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[O:8].[C:1]-[C:2](-[O:10]-[C:9])(-[O:11]-[C:12])-[O:13]-[C:14]	3	19763,23097,43117
+[c:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-1=[O:7]>>[c:1]-[N:2]-[C:6](-[C:5]-[C:4]-[C:3]-[Cl:8])=[O:7]	3	19860,49094,53805
+[C:1]-[C:2](=[N:3]-[c:4])-[N:7](-[C:5]=[O:6])-[c:8]>>[C:1]-[C:2](-[N:3]-[c:4])=[O:9].[C:5](=[O:6])-[N:7]-[c:8]	3	19899,23315,49552
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-1-[C:9]-[C:10]-[O:11]-[C:12]-1(-[C:13])-[C:14]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-[C:10]-[O:11].[C:12](-[C:13])(-[C:14])(-[O:16]-[C:15])-[O:17]-[C:18]	3	20012,20013,23408
+[c:1](:[n:2]):[c:4]-1:[c:3]-[C:8]-[N:7]-[C:5]-1=[O:6]>>[c:1](:[n:2]):[c:4](:[c:3]-[C:8]#[N:7])-[C:5](=[O:6])-[O:10]-[C:9]	3	20180,20181,41351
+[C:1]-[C:3](-[C:2])(-[C:4])-[O:5]>>[C:1]-[C:3](-[C:2])=[O:5].[C:4]-[Li:6]	3	20263,23519,47551
+[C:1]=[C:2]-[C:3]>>[C:2](-[C:3])=[O:4].[C:1]-[P+:9](-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:23]:[c:22]:1)(-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2)-[c:16]:3:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:3	3	20264,24729,56341
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[c:6]:1:[n:7]:[c:8]:[n:9]:[c:10]:[c:11]:1>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[c:6]:1(:[n:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Cl:12]	3	20280,22178,23572
+[C:1]-[C:2]-[N:3](-[C:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]>>[C:1]-[C:2]-[I:12].[N:3](-[C:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]	3	20285,23828,30039
+[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5]-[N:6]=[C:7]-1-[N:8](-[C:9])-[C:10]>>[N:8](-[C:9])-[C:10].[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5]-[N:6]=[C:7]-1-[Cl:11]	3	20315,54069,55613
+[C:1]-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[C:1]-[N:2].[S:3](-[C:4])(=[O:5])(=[O:6])-[O:11]-[S:8](-[C:7])(=[O:9])=[O:10]	3	20380,45242,45243
+[c:1]-[O:2]-[C:3]-[C:4](-[N:5])=[O:6]>>[c:1]-[O:2].[C:3](-[C:4](-[N:5])=[O:6])-[I:7]	3	20432,23815,44091
+[S:1]=[C:2](-[N:3]-[C:4])-[N:5]>>[N:3]-[C:4].[S:1]=[C:2]=[N:5]-[C:7](=[O:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	3	20500,49791,51944
+[c:1]-[N:2]-1-[N:3]-[C:4](-[c:5])=[N:6]-[C:7]-1=[O:8]>>[c:1]-[N:2]-[N:3]-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15].[C:4](-[c:5])(-[N:6]=[C:7]=[O:8])=[O:16]	3	20636,20637,20639
+[n:1]:[c:2]:[c:3](-[N:4]):[s:5]>>[n:1]:[c:2]:[c:3](-[N:4]-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]):[s:5]	3	20647,20870,24231
+[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[N:6]>>[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[N:6]-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	3	20691,24033,24205
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[s:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]):[s:7].[N:5]-[c:6]	3	20692,28379,53325
+[N:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[n:6]:[c:7]:[n:8]:[c:9]:2):[s:10]:1>>[N:1]#[C:2]-[S:10]-[c:5]:1:[c:4](-[N+:3](=[O:11])-[O-:12]):[c:9]:[n:8]:[c:7]:[n:6]:1	3	20715,24053,26133
+[c:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[C:3]-[I:11].[c:1]-[N:2]-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]	3	20727,20752,20789
+[N:1]-[c:2](:[c:3]):[s:4]>>[N:1](-[c:2](:[c:3]):[s:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]	3	20755,20866,24230
+[n:1]:[c:2]:[c:3](-[C:4]-[Cl:6]):[s:5]>>[n:1]:[c:2]:[c:3](-[C:4]-[O:9]):[s:5].[Cl:6]-[C:8]-[Cl:7]	3	20848,35069,35089
+[s:1]:[c:2](-[N:3]-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]):[n:11]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:18]-[C:16](-[O:15]-[C:12](-[C:13])(-[C:14])-[C:19])=[O:17].[s:1]:[c:2](-[N:3]):[n:11]	3	20929,21033,21034
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]=[C:9]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:17]-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[N:8]=[C:9]	3	21022,21181,21293
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	3	21423,21435,24342
+[n:1]:[c:3](:[n:2])-[C:4]-[O:5]-[c:6]>>[O:5]-[c:6].[n:1]:[c:3](:[n:2])-[C:4]-[Cl:7]	3	21483,50494,57120
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:7]-[C:6]=[C:5]	3	21507,52541,54242
+[C:1]-[C:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-[C:7]-1>>[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:[c:7]:1	3	21622,22089,56209
+[C:1]-[C:2]-[N:3](-[C:4])-[S:5]>>[N:3](-[C:4])-[S:5].[C:1]-[C:2]-[I:6]	3	21634,28574,29884
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2](-[O:4])=[O:5].[N:3]	3	21683,40806,40877
+[C:1](#[C:2]-[c:3](:[c:4]):[c:5])-[Si:7](-[C:6])(-[C:8])-[C:9]>>[C:1](#[C:2])-[Si:7](-[C:6])(-[C:8])-[C:9].[c:3](:[c:4])(:[c:5])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17]	3	21698,25478,33663
+[C:1]-[O:2]-[c:3]:[c:5]:[n:4]>>[C:1]-[O:6].[O:2]-[c:3]:[c:5]:[n:4]	3	21785,32869,32930
+[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]):[n:7]:2:[c:8]:[n:9]:[n:10]:[c:11]:1:2):[n:6]>>[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]):[n:7]:[c:11]:1-[N:10]-[N:9]):[n:6].[C:8](-[O:13]-[C:12])(-[O:14]-[C:15])-[O:16]-[C:17]	3	21860,23680,36949
+[c:1]:1:[n:2]:[c:3]-2:[c:4](:[c:5]:[c:6]:1)-[C:7]-[C:8]-[C:9]-[N:10]-2>>[c:1]:1:[n:2]:[c:3]:2:[c:4](:[c:5]:[c:6]:1):[c:7]:[c:8]:[c:9]:[n:10]:2	3	21884,23218,30960
+[C:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[n:7]>>[C:1]-[C:2]-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12].[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[n:7]	3	21906,40060,45224
+[C:1](-[c:2](:[c:3]):[n:4])(=[O:5])-[O:6]>>[C:1](-[c:2](:[c:3]):[n:4])#[N:8].[O:6]-[C:7].[O:5]	3	21969,32839,32841
+[n:1]:[c:2]:[c:3]-[C:4]-[C:5]-[c:6]>>[n:1]:[c:2]:[c:3]-[C:4]#[C:5]-[c:6]	3	22004,25136,50160
+[C:1]-[C:2](=[O:3])-[C:4]>>[C:2](=[O:3])(-[C:4])-[N:8](-[O:7]-[C:6])-[C:9].[C:1]-[Mg:5]-[Cl:10]	3	22128,33635,33639
+[C:1]-[C:2]-[F:3]>>[C:1]-[C:2]-[O:8]-[S:5](-[C:4])(=[O:6])=[O:7].[F:3]	3	22153,37097,37105
+[c:1]:[c:2](-[C:3](-[C:4])-[C:5]):[c:6]>>[C:3](-[C:4])(-[C:5])-[I:7].[c:1]:[c:2](:[c:6])-[I:8]	3	22170,22171,22172
+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[C:7]-[N:8]-1>>[C:1]-[C:2](-[N:8]-[C:7]-[C:5](=[O:6])-[O:11]-[C:10]-[C:9])=[S:12].[N:3]-[N:4]	3	22205,42152,42153
+[C:1]-[N:2]-[C:4](=[O:3])-[O:5]>>[C:1]-[N:2].[O:3]=[C:4](-[O:5])-[O:12]-[N:11]-1-[C:6](-[C:7]-[C:8]-[C:9]-1=[O:10])=[O:13]	3	22230,23387,44451
+[n:1]:[c:3](:[c:2])-[C:4](-[N:5])=[O:6]>>[n:1]:[c:3](:[c:2])-[C:4]#[N:5].[O:6]	3	22249,34731,41392
+[C:1]-[C:2]>>[C:1](-[C:2])-[O:7]-[S:4](-[C:3])(=[O:5])=[O:6]	3	22349,22478,57027
+[c:1]:[c:2](-[S:3]-[C:4]-[c:5](:[c:6]:[s:7]):[n:8]):[n:9]>>[c:1]:[c:2](-[S:3]):[n:9].[C:4](-[c:5](:[c:6]:[s:7]):[n:8])-[Cl:10]	3	22735,53123,54511
+[n:1]:[c:2](-[C:3](-[N:4])=[N:5]-[N:6]):[c:7]>>[n:1]:[c:2](-[C:3]#[N:4]):[c:7].[N:5]-[N:6]	3	22760,22761,22762
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:8]:1-[N:7]-[N:6]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:8]:1-[Cl:9].[N:6]-[N:7]	3	22946,42189,42237
+[C:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1>>[C:1]-[C:2]-[O:16]-[S:13](-[c:12]:1:[c:11]:[c:10]:[c:9](-[C:8]):[c:18]:[c:17]:1)(=[O:14])=[O:15].[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1	3	22985,27814,48696
+[c:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[C:6]):[n:7]:1>>[c:1]-[C:2](-[C:3]-[N:7]-[C:5](-[C:6])=[O:8])=[O:9].[N:4]	3	23128,38974,40935
+[c:1]:[c:2](-[C:3]-[O:5]):[s:4]>>[c:1]:[c:2](-[C:3](=[O:5])-[O:8]-[C:7]-[C:6]):[s:4]	3	23145,30256,31128
+[n:1]:1:[c:2](-[C:3]#[N:4]):[c:5]:[c:6]:[c:7]:1>>[n:1]:1:[c:2]:[c:5]:[c:6]:[c:7]:1.[C:3](=[N:4]-[S:9](=[O:8])(=[O:10])-[Cl:11])=[O:12]	3	23154,45621,45625
+[s:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6](-[N:7]-[c:8]):[c:9]:1>>[s:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6](:[c:9]:1)-[Cl:10].[N:7]-[c:8]	3	23160,32442,41386
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2]-[O:11].[Cl:3]-[N:10]-1-[C:5](=[O:4])-[C:6]-[C:7]-[C:8]-1=[O:9]	3	23182,38602,44377
+[c:1]:[c:2](-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]):[c:9]>>[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8].[c:1]:[c:2](:[c:9])-[B:11](-[O:10])-[O:12]	3	23224,27812,46013
+[C:1]=[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:6].[C:1]=[C:2]-[B:11]-1-[O:10]-[C:8](-[C:7])(-[C:9])-[C:13](-[O:12]-1)(-[C:14])-[C:15]	3	23243,28939,28940
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[C:6]=[C:7]-[c:8](:[c:9]):[c:11]-1:[c:10]>>[C:1]-[C:2]-[O:16]-[S:13](-[C:12])(=[O:14])=[O:15].[n:3]:1:[c:4](-[O:5]):[c:6]:[c:7]:[c:8](:[c:9]):[c:11]:1:[c:10]	3	23538,23539,45223
+[c:1]:[c:2](-[N:3]-[C:4]):[c:5]:[n:6]>>[N:3]-[C:4].[c:1]:[c:2](:[c:5]:[n:6])-[F:7]	3	23553,41328,56355
+[C:1]-[C:2](=[O:3])-[O:4]-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:4].[c:5](:[c:6])(:[c:7])-[O:8]	3	23712,35880,52531
+[C:1]-[C:2](=[O:3])-[C:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[N:10](-[O:9]-[C:8])-[C:11].[C:4](-[C:5])-[Mg:7]-[Br:6]	3	23771,31265,47591
+[C:1]-[S:2](=[O:3])(=[O:4])-[C:5]>>[C:1]-[S:2](=[O:4])-[C:5].[O:3]=[C:8](-[O:7]-[O:6])-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13](-[Cl:14]):[c:15]:1	3	23793,36534,36602
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[n:5]:[c:6]:[n:7](-[c:8]):[c:9]:2:[n:10]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5]):[c:9](-[N:7]-[c:8]):[n:10]:1.[C:6](-[O:12]-[C:11])(-[O:13]-[C:14])-[O:15]-[C:16]	3	23867,38890,43208
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:1]-[N:2]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7].[C:3](-[O:11]-[C:10]-[C:9])(-[O:12]-[C:13]-[C:14])-[O:15]-[C:16]-[C:17]	3	23917,31053,31054
+[C:1](-[c:2])(-[c:3])=[C:4]>>[C:1](-[c:2])(-[c:3])(-[C:4])-[O:5]	3	24158,25337,52648
+[n:1]:[c:2]:[c:3](-[N:4]):[n:5]>>[n:1]:[c:2]:[c:3](-[N:4]-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]):[n:5]	3	24201,24203,24222
+[C:1]=[N:2]>>[C:1]=[N:2]-[S:7](-[C:4](-[C:3])(-[C:5])-[C:6])=[O:8]	3	24421,24422,24433
+[n:1]:[c:2]:[c:3]-[O:4]-[Si:6](-[C:5])(-[C:7])-[C:8]>>[C:5]-[Si:6](-[C:7])(-[C:8])-[Cl:9].[n:1]:[c:2]:[c:3]-[O:4]	3	24529,24558,24585
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](=[O:3])-[N:16]-1-[C:5](=[O:4])-[O:6]-[C:7]-[C:8]-1-[C:9]-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2	3	24667,37794,52253
+[C:1]-[O:2]-[C:3]-[c:4](:[n:5]):[n:6]>>[C:1]-[O:2]-[Si:7](-[C:8])(-[C:9])-[C:12](-[C:11])(-[C:13])-[C:14].[C:3](-[c:4](:[n:5]):[n:6])-[Cl:10]	3	24674,24825,24831
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[c:9](:[c:8]):[n:10]):[n:11]>>[N:6](-[C:7])-[c:9](:[c:8]):[n:10].[c:1]:[c:2](-[N:3]):[n:11].[C:4](=[O:5])(-[n:15]:1:[c:14]:[n:13]:[c:12]:[n:21]:1)-[n:16]:2:[c:17]:[n:18]:[c:19]:[n:20]:2	3	24709,33232,33243
+[O:1]-[N:2]-[C:3]-[C:4]=[C:5]>>[O:1]-[N:2](-[C:3]-[C:4]=[C:5])-[S:15](-[c:14]:1:[c:9](-[N+:7](=[O:6])-[O-:8]):[c:10]:[c:11]:[c:12]:[c:13]:1)(=[O:16])=[O:17]	3	24872,45956,46210
+[c:1]:[c:2]:1:[c:3](-[O:4]):[n:5]:[c:6](-[c:7](:[c:8]):[n:9]):[n:10]:[c:11]:1:[c:12]>>[C:6](-[c:7](:[c:8]):[n:9])=[O:13].[c:1]:[c:2](-[C:3](=[O:4])-[N:5]):[c:11](-[N:10]):[c:12]	3	25049,41975,41977
+[c:1]-[C:2]=[C:3]>>[c:1]-[C:2]=[O:22].[C:3]-[P+:7](-[c:6]:1:[c:5]:[c:4]:[c:23]:[c:21]:[c:20]:1)(-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3	3	25185,39943,56661
+[c:1]:1:[n:2]:[n:3]:2:[c:4]:[c:5](-[c:6](:[c:7]):[o:8]):[n:9]:[c:10]:2:[s:11]:1>>[C:4](-[C:5](-[c:6](:[c:7]):[o:8])=[O:12])-[Br:13].[c:1]:1:[n:2]:[n:3]:[c:10](-[N:9]):[s:11]:1	3	25214,42854,42856
+[c:1]:1:[c:2]:[c:3](-[I:4]):[n:5]:[n:6]:1>>[c:1]:1:[c:2]:[c:3]:[n:5]:[n:6]:1.[I:4]-[N:7]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	3	25234,44401,44419
+[C:1]-[O:2]-[c:3]:1:[n:4]:[n:5]:[c:6]:[s:7]:1>>[C:1]-[O:2].[c:3]:1(:[n:4]:[n:5]:[c:6]:[s:7]:1)-[Br:8]	3	25244,33176,33177
+[C:1]-[O:2]-[C:3]>>[O:2]-[C:3].[C:1]-[O:4]	3	25347,33000,33159
+[c:1]:[c:3](:[c:2])-[S:4]-[C:5]>>[S:4](-[C:5])-[S:8]-[C:7].[c:1]:[c:3](:[c:2])-[N:6]	3	25394,33625,33628
+[N:1]-1-[C:2]=[C:3](-[c:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2)-[C:10]=[C:11](-[N:12])-[C:13]-1>>[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:23].[N:1]-1-[C:2]=[C:3](-[C:10]=[C:11](-[N:12])-[C:13]-1)-[B:18]-2-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-2)(-[C:21])-[C:22]	3	25507,25508,28288
+[c:1]:[c:2](-[S:3]-[C:4]#[N:5]):[c:6]>>[c:1]:[c:2]:[c:6].[S:3]-[C:4]#[N:5]	3	25533,34429,47476
+[c:1]-1:[c:2]-[O:3]-[C:4](-[N:5]-1)=[S:6]>>[c:1](:[c:2]-[O:3])-[N:5].[C:4](=[S:6])(-[O:9]-[C:8]-[C:7])-[S:10]	3	25538,47486,47487
+[s:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[s:1]:[c:2]:[c:3]-[C:4]-[O:5]	3	25550,41342,48562
+[C:1]-[C:2](=[C:3])-[C:4]-[O:5]>>[C:1]-[C:2](=[C:3])-[C:4]=[O:5]	3	25587,36328,54083
+[C:1](-[N:2]-[C:3])-[C:4]-[O:5]>>[C:1]-1-[N:2](-[C:3])-[C:7](-[O:5]-[C:4]-1)=[O:6]	3	25678,36771,41599
+[C:1]-[C:5](-[C:3](-[N:2])=[O:4])=[C:6]-[N:7]>>[C:1]-[C:5](-[C:3](-[N:2])=[O:4])=[C:6]-[N:9](-[C:8])-[C:10].[N:7]	3	25682,31994,40827
+[C:1]-[C:2]-[C:3](-[C:4](=[O:5])-[O:6])-[c:7](:[c:8]:[n:9]):[c:11]:[n:10]>>[C:1]-[C:2]-[I:12].[C:3](-[C:4](=[O:5])-[O:6])-[c:7](:[c:8]:[n:9]):[c:11]:[n:10]	3	25761,29946,29962
+[c:1]:[c:3](:[n:2])-[N:4]-[S:5](=[O:6])(=[O:7])-[c:8](:[c:9]):[s:10]>>[S:5](=[O:6])(=[O:7])(-[c:8](:[c:9]):[s:10])-[Cl:11].[c:1]:[c:3](:[n:2])-[N:4]	3	25781,45474,45522
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[n:7]>>[N:4]-[c:5](:[n:6]):[n:7].[c:1]-[C:2](=[O:3])-[Cl:8]	3	25796,27837,27975
+[n:1]:[c:2](-[C:3]-[N:4]):[c:5]>>[n:1]:[c:2](-[C:3]=[N:4]-[O:6]):[c:5]	3	25804,26883,50222
+[C:1]-[C:2]-1-[O:3]-[C:4]-[C:5]-[O:6]-1>>[C:1]-[C:2]=[O:3].[C:4](-[C:5]-[O:6])-[O:7]	3	25832,46965,46979
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[C:10]-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:1	3	25909,52189,56412
+[c:1]:1:[c:2](-[C:3](-[c:4])-[C:5]-2=[C:6](-[O:7])-[C:8]-[C:9]-2=[O:10]):[n:11]:[c:12](:[c:13]):[c:14]:1>>[c:1]:1:[c:2]:[n:11]:[c:12](:[c:13]):[c:14]:1.[C:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-1=[O:10].[C:3](-[c:4])=[O:15]	3	25953,44314,44315
+[n:1]:[c:2](-[C:3]-[N:4](-[C:7]=[O:6])-[C:8]=[O:9]):[n:5]>>[n:1]:[c:2](-[C:3]-[Cl:10]):[n:5].[N:4](-[C:7]=[O:6])-[C:8]=[O:9]	3	25970,25974,55193
+[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n+:7]:[c:8]:1-[N:9]):[n:10]>>[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n+:7]:[c:8]:1):[n:10].[N:9](=[C:12]=[O:11])-[C:13](=[O:14])-[C:15](-[Cl:16])(-[Cl:17])-[Cl:18]	3	25977,34837,34838
+[C:1]-[N:2]>>[C:1]-[N:2]-[C:4](=[O:3])-[C:5]-[Cl:6]	3	26025,34926,53905
+[C:1](-[N:2]-[c:3])=[O:4]>>[N:2]-[c:3].[C:1](-[O:4])=[O:5]	3	26156,46915,46921
+[C:1]-[C:2](-[C:3])=[C:4]-[C:5]-[O:6]-[c:7]>>[C:1]-[C:2](-[C:3])=[C:4]-[C:5]-[Br:8].[O:6]-[c:7]	3	26258,26575,27910
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[O:7]):[n:8]:[n:9]:1>>[C:1]-[C:2](-[C:3]-[C:4](-[C:5](=[O:6])-[O:7])=[O:10])=[O:11].[N:8]-[N:9]	3	26271,42268,42310
+[c:1]:[c:2](-[O:3]-[N:4]=[C:5]):[c:6]>>[O:3]-[N:4]=[C:5].[c:1]:[c:2](:[c:6])-[F:7]	3	26289,26290,32275
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]-[O:4].[O:3]=[C:6](-[C:5])-[C:7]	3	26293,26303,26330
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]):[n:6]>>[O:5]=[C:8](-[C:7])-[C:9].[c:1]:[c:2](-[C:3](=[O:4])-[C:11](-[Cl:10])(-[Cl:12])-[Cl:13]):[n:6]	3	26300,26301,26302
+[C:1]-[C:2]-1(-[C:3])-[O:4]-[c:5](:[c:6]-[O:8]-1):[c:7]>>[C:1]-[C:2](-[C:3])=[O:4].[c:5](:[c:6]-[O:8])(:[c:7])-[O:9]	3	26319,26322,29635
+[c:1]-[C:2]-1-[N:3]-[c:4]:[c:6](:[c:5])-[C:7](-[C:8]-1(-[C:9])-[C:10])-[O:11]>>[C:7](-[C:8](-[C:9])-[C:10])=[O:11].[c:1]-[C:2]=[N:3]-[c:4]:[c:6]:[c:5]	3	26557,26558,26559
+[C:1](-[C:2]-[N:3]-[C:4](-[c:5])=[O:6])=[O:7]>>[C:1](-[C:2]-[N:3])=[O:7].[C:4](-[c:5])(=[O:6])-[Cl:8]	3	26578,36728,53594
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[N:2].[C:3](-[O:4])(-[c:5]:[c:6]:[n:7])=[O:8]	3	26743,49690,51873
+[c:1]-[C:7]=[C:3](-[C:2])-[C:4](=[O:5])-[O:6]>>[c:1]-[C:7]=[O:8].[C:2]-[C:3]-[C:4](=[O:5])-[O:6]	3	26759,44049,44775
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5]-[c:6]>>[C:1]-[N:2]=[C:3]=[S:4].[N:5]-[c:6]	3	26787,32553,37882
+[C:1](-[C:2]-[C:3])(-[c:4](:[n:5]):[c:6])-[O:7]>>[C:2](-[C:3])-[Mg:9]-[Br:8].[C:1](-[c:4](:[n:5]):[c:6])=[O:7]	3	26868,31283,31287
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5](:[n:6]:[c:7]:1:[c:8])-[O:10]>>[c:1]:[c:2]:1-[C:3]=[C:4]-[C:5](-[N+:6](-[c:7]:1:[c:8])-[O-:9])=[O:10]	3	26876,38033,49281
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](-[O:8]-[C:9]):[n:10]:1>>[O:8]-[C:9].[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[n:10]:1)-[Cl:12])-[Cl:11]	3	26885,32709,32710
+[N:1](-[C:2]-[c:3](:[n:4]):[n:5])=[N+:7]=[N-:6]>>[C:2](-[c:3](:[n:4]):[n:5])-[Cl:8].[N-:1]=[N+:7]=[N-:6]	3	26899,47956,48058
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1>>[c:1]:1:[n+:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[O-:7]	3	27005,48109,48358
+[c:1]:1(:[n+:2]:[c:3]:[c:4]:[n:5]:[c:6]:1)-[Cl:7]>>[c:1]:1:[n+:2]:[c:3]:[c:4]:[n:5]:[c:6]:1.[Cl:7]-[P:9](=[O:8])(-[Cl:10])-[Cl:11]	3	27031,35263,35310
+[O:1]-[C:2](=[O:3])-[C:4](-[F:5])=[C:6](-[C:7])-[c:8]>>[C:6](-[C:7])(-[c:8])=[O:17].[O:1]-[C:2](=[O:3])-[C:4](-[F:5])-[P:12](-[O:11]-[C:10]-[C:9])(=[O:13])-[O:14]-[C:15]-[C:16]	3	27061,28623,29486
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[I:6]>>[c:1](:[n:2]):[c:5]:[c:4]:[n:3].[I:6]-[Cl:7]	3	27145,35165,35170
+[c:1]:1:[c:2](-[N:3]-[C:4](=[O:5])-[O:6]-[C:7]):[n:8]:[n:9]:[n:10]:1>>[O:6]-[C:7].[c:1]:1:[c:2](-[C:4](=[O:5])-[O:11]):[n:8]:[n:9]:[n:10]:1.[N:3](=[N+:13]=[N-:12])-[P:14](=[O:15])(-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2	3	27175,34283,52040
+[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:6]):[c:7]:[c:8](-[C:9]#[N:10]):[c:11](:[n:12]:1)-[O:13]>>[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:6])=[C:7]-[N:15](-[C:14])-[C:16])=[O:17].[C:8](-[C:9]#[N:10])-[C:11](-[N:12])=[O:13]	3	27242,31983,31986
+[c:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[N:4]-[S:5].[c:1]-[C:2](=[O:3])-[Cl:6]	3	27455,45560,53135
+[C:1](-[c:2])=[O:3]>>[C:1]-1(-[c:2])-[O:3]-[C:7]-[C:4]-[C:5]-[O:6]-1	3	27469,56155,56805
+[c:1]-[C:2](-[C:3](-[C:4])-[C:5])=[C:6]-[C:7]>>[C:3](-[C:4])(-[C:5])-[Mg:9]-[Cl:8].[c:1]-[C:2](-[C:6]-[C:7])=[O:10]	3	27492,27493,27494
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5](=[O:6])-[O:7])-[C:8]>>[C:1]-[C:2](=[O:3])-[O:9].[N:4](-[C:5](=[O:6])-[O:7])-[C:8]	3	27522,54021,54540
+[c:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[c:6]):[c:7]:[o:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:7]:[o:8]:1.[C:4](=[O:5])(-[c:6])-[O:9]	3	27705,27706,27707
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[S:10](-[C:9])(=[O:11])=[O:12]	3	27809,45318,52928
+[c:1](-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1):[c:7]:[n:8]>>[c:1](-[C:2]#[N:3]):[c:7]:[n:8].[N-:4]=[N+:5]=[N-:6]	3	27832,47938,48029
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[s:9]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:10].[N:6]-[c:7](:[n:8]):[s:9]	3	27860,27879,39601
+[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1-[C:7](=[O:8])-[C:9]>>[C:7](=[O:8])(-[C:9])-[Cl:10].[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1	3	27908,30230,44038
+[c:1]:1:[c:2](-[N:3]-[C:4](=[O:5])-[O:6]-[C:7]):[c:8]:[n:9]:[o:10]:1>>[O:6]-[C:7].[c:1]:1:[c:2](-[C:4](=[O:5])-[O:11]):[c:8]:[n:9]:[o:10]:1.[N:3](=[N+:13]=[N-:12])-[P:14](=[O:15])(-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2	3	27938,27939,27943
+[n:1]:[c:2](:[c:3](:[c:4])-[B:7](-[O:6])-[O:8]):[c:5]>>[n:1]:[c:2](:[c:3](:[c:4])-[Br:9]):[c:5].[O:6]-[B:7](-[O:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	3	28011,28023,28273
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-1-[B:5](-[O:6]-[C:10](-[C:7]-1(-[C:8])-[C:9])(-[C:11])-[C:12])-[B:22]-2-[O:13]-[C:14](-[C:15])(-[C:16])-[C:19](-[C:18])(-[C:20])-[O:21]-2.[c:1]:[c:2](:[c:3])-[Br:17]	3	28209,28211,28212
+[n:1]:[n:2]:1:[c:3](-[c:4](:[c:5]):[c:7]:[n:6]):[c:8]:[n:9]:[c:10]:1>>[c:4](:[c:5])(:[c:7]:[n:6])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[n:1]:[n:2]:1:[c:3](:[c:8]:[n:9]:[c:10]:1)-[I:20]	3	28352,28503,29070
+[c:1]-[N:2]-[C:3](=[O:4])-[O:7]-[C:6]=[C:5]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:7]-[C:6]=[C:5])-[Cl:8]	3	28366,34719,43051
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1):[c:8]:[n:9]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[n:7]:1)-[Br:10].[c:1]:[c:2](:[c:8]:[n:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	3	28376,28453,28478
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[B:19]-1-[O:18]-[C:16](-[C:15])(-[C:17])-[C:21](-[O:20]-1)(-[C:22])-[C:23].[C:3](=[C:4]-[C:5])(-[C:6])-[O:10]-[S:8](=[O:9])(-[C:11](-[F:12])(-[F:13])-[F:14])=[O:24]	3	28381,28382,29161
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[c:7]:1:[c:8]:[n:9]):[c:10]>>[c:1]:[c:2](:[c:10])-[B:14]-1-[O:13]-[C:11](-[C:12])(-[C:16](-[O:15]-1)(-[C:17])-[C:18])-[C:27].[c:3]:1(:[n:4]:[n:5]:[c:6]:[c:7]:1:[c:8]:[n:9])-[O:22]-[S:20](=[O:19])(=[O:21])-[C:23](-[F:24])(-[F:25])-[F:26]	3	28386,29163,29207
+[n:1]:[c:2]:[c:3](-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]):[c:9]>>[n:1]:[c:2]:[c:3](:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[O:22]-[S:20](=[O:19])(=[O:21])-[C:23](-[F:24])(-[F:25])-[F:26]	3	28392,28954,28955
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[c:6](:[c:7]:[n:8]):[c:9]>>[c:6](:[c:7]:[n:8])(:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[O:22]-[S:20](=[O:19])(=[O:21])-[C:23](-[F:24])(-[F:25])-[F:26]	3	28406,28509,28510
+[n:1]:[c:2]:[c:3](-[c:4]:1:[c:5]:[c:6]:[n:7]:[n:8]:1):[c:9]>>[c:4]:1(:[c:5]:[c:6]:[n:7]:[n:8]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19].[n:1]:[c:2]:[c:3](:[c:9])-[Br:10]	3	28487,28488,29254
+[c:1]-[C:2](-[C:3])(-[C:4])-[O:5]>>[c:1]-[C:2](-[C:3])=[O:5].[C:4]-[Mg:7]-[Cl:6]	3	28733,33634,33638
+[C:1](-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1)-[O:8]>>[C:1]-1-[C:2]-[O:8]-1.[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1	3	28801,37034,56655
+[N:1](-[C:2])-[c:3]>>[N:1](-[C:2])(-[c:3])-[C:5](=[O:4])-[O:6]-[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	3	28824,39093,52586
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:8]:[c:6](:[n:5]:1)-[N:7]>>[c:1]:[c:4](:[c:3](:[c:2])-[N:8])-[N:5].[C:6](#[N:7])-[Br:9]	3	29028,29438,41193
+[c:1]:[c:2]:[n:3]:[c:4](-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1):[c:10]>>[c:5]:1(:[c:6]:[n:7]:[n:8]:[c:9]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19].[c:1]:[c:2]:[n:3]:[c:4](:[c:10])-[O:23]-[S:21](=[O:20])(=[O:22])-[C:24](-[F:25])(-[F:26])-[F:27]	3	29259,29290,29294
+[O:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]=[C:7](-[O:8])-[C:9]>>[C:4](=[O:5])(-[C:6]=[C:7](-[O:8])-[C:9])-[Cl:10].[O:1]-[N:2]-[C:3]	3	29301,29302,29303
+[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[C:9](-[O:8]-[C:7])=[O:10]>>[C:7]-[O:8].[N:1]-[C:2](=[O:3])-[C:4]=[C:5]-1-[O:6]-[C:12](-[C:11])(-[C:13])-[O:14]-[C:9]-1=[O:10]	3	29314,31918,33138
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[O:11]>>[N:5]-[c:6](:[c:7]):[n:10]:[c:9]:[c:8].[C:1](=[O:2])(-[C:3](-[C:4]=[O:12])-[Cl:13])-[O:11]	3	29331,30566,30567
+[O:1]-[C:2].[c:3]-[O:4]>>[O:1](-[C:2])-[C:6](-[O:4]-[c:3])(-[C:5])-[C:7]	3	29400,36772,56682
+[C:1]-[C:2](-[C:3]-[O:4])-[c:5]>>[C:1]-[C:2](=[C:3])-[c:5].[O:4]-[O:6]	3	29503,36255,47292
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5]):[o:6]:1>>[C:4](-[c:5])=[O:6].[C:1](-[N+:2]#[C-:3])-[S:14](-[c:13]:1:[c:7]:[c:8]:[c:10](-[C:9]):[c:11]:[c:12]:1)(=[O:15])=[O:16]	3	29504,38860,44774
+[C:1]-[C:2](-[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1)=[O:9]>>[C:1]-[C:2](=[O:9])-[Cl:10].[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1	3	29715,36293,43983
+[C:1](-[N:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1)-[C:9](-[N:10])=[O:11]>>[C:1](-[N:2])-[C:9](-[N:10])=[O:11].[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:12]	3	29753,37808,44090
+[c:1](:[c:2]-[O:3]):[n:4]>>[c:1](:[c:2]-[O:3]-[C:7]-[O:6]-[C:5]):[n:4]	3	30028,52162,52764
+[C:1]-[N:2]-1-[C:3]-[c:4](:[n:5]):[c:6]-[C:7]-1=[O:8]>>[C:1]-[N:2].[C:3](-[c:4](:[n:5]):[c:6]-[C:7](=[O:8])-[O:10]-[C:9])-[Br:11]	3	30146,30189,30192
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[N:6]):[n:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:10]-[C:9]-[C:8]):[n:7].[N:5]-[N:6]	3	30233,42309,42324
+[C:1](=[O:2])(-[c:3](:[c:4]):[n:6]:[n:5])-[O:8]-[C:7]>>[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:10].[C:7]-[O:8].[C:1](=[O:2])(-[O:9])-[O:11]	3	30302,30407,30408
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[c:6](-[c:7]):[c:8]:[s:9]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[N:5])=[S:9].[C:6](-[c:7])(-[C:8]-[Br:11])=[O:10]	3	30572,30573,30576
+[C:1](=[C:2](-[C:3]-[O:6])-[C:4])-[C:5]>>[C:1](=[C:2](-[C:3](=[O:6])-[O:9]-[C:8]-[C:7])-[C:4])-[C:5]	3	30591,30926,53689
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])=[C:7]-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5]#[N:6].[C:7](-[c:8])=[O:9]	3	30734,30738,30745
+[C:1]-[N:2]-1-[C:3](=[S:4])-[N:5]-[C:6](=[O:7])-[C:8]=[C:9]-1-[N:10]>>[C:6](=[O:7])(-[C:8]-[C:9]#[N:10])-[O:13]-[C:12]-[C:11].[C:1]-[N:2]-[C:3](=[S:4])-[N:5]	3	30736,30739,30744
+[c:1]:1:[c:2]:2-[N:3]-[C:4](-[C:5]=[C:6](-[c:7])-[n:8]:2:[n:9]:[c:10]:1)=[O:11]>>[C:4](-[C:5]-[C:6](-[c:7])=[O:15])(=[O:11])-[O:14]-[C:13]-[C:12].[c:1]:1:[c:2](-[N:3]):[n:8]:[n:9]:[c:10]:1	3	30746,42760,54492
+[c:1]-[C:2]-[N:3]-[c:4]:[c:6](:[n:5]):[n:7]>>[N:3]-[c:4]:[c:6](:[n:5]):[n:7].[c:1]-[C:2]-[Cl:8]	3	30833,48393,50891
+[c:1]:1:[c:2]:[s:3]:[c:4]:2:[n:5]:[c:6](-[c:7]):[c:8]:[n:9]:1:2>>[c:1]:1:[c:2]:[s:3]:[c:4](-[N:5]):[n:9]:1.[C:6](-[c:7])(-[C:8]-[Br:11])=[O:10]	3	30839,42843,42847
+[n:1]:[c:2](:[c:3]-[O:4]-[C:5]-[c:6]):[n:7]>>[n:1]:[c:2](:[c:3]-[O:4]):[n:7].[C:5](-[c:6])-[Br:8]	3	30846,34709,34710
+[O:1]=[C:2]-1-[N:3]-[c:4]:[c:5]-[N:6]-[C:7]-1=[O:8]>>[O:1]=[C:2](-[C:7](=[O:8])-[O:12]-[C:13]-[C:14])-[O:11]-[C:10]-[C:9].[N:3]-[c:4]:[c:5]-[N:6]	3	30888,30893,30896
+[c:1]-[O:2]-[C:3](-[C:4](=[O:5])-[O:6])=[C:7]-[C:8]=[O:9]>>[C:3](-[C:4](=[O:5])-[O:6])(-[O:12]-[C:11]-[C:10])=[O:13].[c:1]-[O:2].[C:7]-[C:8]=[O:9]	3	30895,30904,30914
+[c:1]:[c:2](-[C:3](-[C:4](=[O:5])-[O:7])=[O:8]):[c:6]>>[C:3](-[C:4](=[O:5])-[O:7])(=[O:8])-[O:12]-[C:11]-[C:10].[c:1]:[c:2](:[c:6])-[Br:9]	3	30899,30900,30916
+[c:1]-[N:2]-1-[C:3]=[C:4](-[C:5])-[C:6](=[O:7])-[N:8]-[C:9]-1=[O:10]>>[C:3](=[C:4](-[C:5])-[C:6](=[O:7])-[N:8]-[C:9](=[O:10])-[O:14]-[C:15]-[C:16])-[O:13]-[C:12]-[C:11].[c:1]-[N:2]	3	31001,31002,31003
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[c:10](:[c:9]):[n:11]:1:2>>[C:1]-[C:2](-[O:12]-[C:13]-[C:14])(-[O:15]-[C:16]-[C:17])-[O:20]-[C:19]-[C:18].[N:3]-[N:4]-[c:5]:1:[c:6]:[n:7]:[c:8]:[c:10](:[c:9]):[n:11]:1	3	31004,31005,41565
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[o:7]:1>>[C:5](-[C:6])(-[O:10]-[C:9]-[C:8])(-[O:11]-[C:12]-[C:13])-[O:14]-[C:15]-[C:16].[c:1]-[C:2](-[N:3]-[N:4])=[O:7]	3	31010,38960,43396
+[C:1](=[C:2]-[N:3]-[c:4])(-[C:6](-[O:5])=[O:7])-[C:8](=[O:9])-[O:10]>>[C:2](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[C:1](-[C:6](-[O:5])=[O:7])-[C:8](=[O:9])-[O:10].[N:3]-[c:4]	3	31041,31042,31043
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:[o:6]:1>>[C:5](-[O:9]-[C:8]-[C:7])(-[O:10]-[C:11]-[C:12])-[O:13]-[C:14]-[C:15].[c:1]-[C:2](-[N:3]-[N:4])=[O:6]	3	31059,31062,31070
+[c:1]:1:[c:2]:[n:3](-[c:4](:[c:5]):[c:7]:[n:6]):[n:8]:[c:9]:1>>[c:1]:1:[c:2]:[n:3]:[n:8]:[c:9]:1.[c:4](:[c:5])(:[c:7]:[n:6])-[I:10]	3	31103,31125,40603
+[c:1]:1:[c:2]:[n:3](-[c:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:2):[n:10]:[c:11]:1>>[c:1]:1:[c:2]:[n:3]:[n:10]:[c:11]:1.[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[Cl:12]	3	31116,31117,34419
+[C:1]-[S:2](=[O:3])(=[O:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[S:2](=[O:3])-[O:4].[c:5](:[c:6])(:[c:7])-[F:8]	3	31261,33613,33614
+[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[C:6](-[N:7]-[c:8])=[O:9]>>[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[C:6](=[O:9])-[O:10].[N:7]-[c:8]	3	31309,34279,43291
+[c:1]:1-[N:2]-[C:3](=[O:4])-[C:5](=[O:6])-[N:7]-[c:8]:1>>[c:1](-[N:2]):[c:8]-[N:7].[C:3](=[O:4])(-[C:5](=[O:6])-[O:10])-[O:9]	3	31313,42447,46798
+[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[C:7](-[N:6])-[C:8]>>[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1.[N:6]-[C:7](-[C:8])=[O:9]	3	31343,38473,40328
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1-[C:6]>>[C:6]-[I:7].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1	3	31355,31540,31870
+[c:1]:1:[n:2]:[n:3](-[C:4]):[c:5](:[n:6]):[c:7]:1>>[c:1]:1:[n:2]:[n:3]:[c:5](:[n:6]):[c:7]:1.[C:4]-[I:8]	3	31373,31425,31782
+[n:1]:[c:2](-[S:3]-[C:4]):[n:5]>>[C:4]-[I:6].[n:1]:[c:2](-[S:3]):[n:5]	3	31374,31495,31760
+[C:1]-[N:2]-[c:3]>>[C:1]-[I:4].[N:2]-[c:3]	3	31382,31491,31492
+[N:1]-[C:5](-[N:3](-[C:2])-[C:4])=[O:6]>>[C:4]-[I:7].[N:1]-[C:5](-[N:3]-[C:2])=[O:6]	3	31762,31800,31808
+[c:1]:1:[c:2]:[n:3]:[n:4](-[c:5]:2:[n:6]:[c:7]:[n:8]:[c:9]:[c:10]:2):[c:11]:1:[c:12]>>[c:1]:1:[c:2]:[n:3]:[n:4]:[c:11]:1:[c:12].[c:5]:1(:[n:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[Cl:13]	3	31889,31901,34630
+[c:1]-[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[c:7](:[n:8]):[c:9]>>[c:1]-[C:2](-[C:3]=[C:4]-[N:11](-[C:10])-[C:12])=[O:13].[N:5]-[N:6]-[c:7](:[n:8]):[c:9]	3	32001,41378,41379
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]-[C:16]):[c:6]>>[C:3](=[O:4])-[N:18](-[C:7])-[C:17].[O:5]-[C:16].[c:1]:[c:2](:[c:6])-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15]	3	32044,32045,32046
+[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[O:9].[N:6](-[C:7])-[C:8]	3	32246,44164,44165
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[O:9]):[c:10]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:15]-[C:14]-[C:13]-[C:12]-[C:11]):[c:10].[N:5]-[C:6]-[C:7](=[O:8])-[O:9]	3	32523,44064,44174
+[C:1]-[S:2](-[C:3])=[O:4]>>[C:1]-[S:2]-[C:3].[O:4]-[O:5]	3	32703,47255,47306
+[C:1]-[O:2]-[C:3](-[c:4](:[c:5]):[c:6])(-[O:7])-[C:8]>>[C:1]-[O:2].[C:3](-[O:7])(-[C:8])=[O:10].[c:4](:[c:5])(:[c:6])-[Br:9]	3	32718,32719,32721
+[C:1]-[S:2]-[C:3](=[N:4]-[C:5]#[N:6])-[N:7]-[c:8]>>[C:1]-[O:9].[S:2]=[C:3]=[N:7]-[c:8].[N:4]-[C:5]#[N:6]	3	32747,32804,32805
+[O:1]=[C:2](-[c:3]:[c:4]:[n:5])-[O:6]>>[O:6]-[C:7].[O:1]=[C:2](-[c:3]:[c:4]:[n:5])-[C:9](-[F:8])(-[F:10])-[F:11]	3	32760,32761,32762
+[c:1]:[c:2](-[C:3](=[O:4])-[O:7]-[C:6]):[c:5]>>[C:6]-[O:7].[c:1]:[c:2](:[c:5])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17].[C:3](=[O:4])(-[C:8])-[O:9]	3	32767,32768,32769
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2].[c:3](:[c:4])(:[c:5])-[Br:6]	3	33003,40046,50320
+[C:1]-[C:2]=[O:3]>>[O:3]-[C:5].[C:1]-[C:2]=[C:4]	3	33052,33066,33071
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[C:1]-[O:2].[C:3](=[O:4])(-[C:5]=[C:6])-[O:7]	3	33101,33114,33120
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:8]-[O:7]-[C:6]-[C:5]-[O:4]-[C:3]	3	33249,38544,38568
+[c:1]:[c:2](-[N:3]):[n:4]:[c:5]:[c:6]>>[c:1]:[c:2](:[n:4]:[c:5]:[c:6])-[Cl:15].[N:3](-[Si:8](-[C:7])(-[C:9])-[C:10])-[Si:11](-[C:12])(-[C:13])-[C:14]	3	33281,34163,34164
+[c:1](:[n:2]):[c:4](:[c:3])-[C:5](-[O:6])-[c:7]>>[C:5](=[O:6])-[c:7].[c:1](:[n:2]):[c:4]:[c:3]	3	33299,49824,50623
+[c:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6](-[F:7])(-[F:8])-[F:9]):[n:10]:[c:11]:1-[O:12]>>[c:1]-[C:2](-[N:3])-[C:11](-[N:10])=[O:12].[C:4](-[C:5](-[C:6](-[F:7])(-[F:8])-[F:9])=[O:13])(-[Br:14])-[Br:15]	3	33302,36317,37188
+[c:1](-[O:2]):[c:3]-[O:4]>>[c:1](-[O:2]-[C:5]):[c:3]-[O:4]-[C:6]	3	33312,44722,57090
+[c:1]-[C:2](-[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1)-[O:9]>>[c:1]-[C:2]=[O:9].[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[s:8]:1	3	33352,43288,55783
+[C:1]-[C:6](=[C:5]-[C:3](-[C:2])=[O:4])-[c:7]>>[C:1]-[C:6](-[c:7])=[O:8].[C:2]-[C:3](=[O:4])-[C:5]	3	33428,42643,50004
+[c:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]):[c:9]>>[c:1]:[c:2](:[c:9])-[I:10].[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	3	33537,48642,49979
+[C:1]-[S:2](=[O:3])(=[O:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[S:2](=[O:3])-[O:4].[c:5](:[c:6])(:[c:7])-[Br:8]	3	33612,33615,33616
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]#[C:7]-[Si:8](-[C:9])(-[C:10])-[C:11]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[I:12].[C:6]#[C:7]-[Si:8](-[C:9])(-[C:10])-[C:11]	3	33655,33684,33717
+[c:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6]):[o:7]:1>>[c:1]-[C:2](-[N:3]-[C:4]-[C:5]#[C:6])=[O:7]	3	33949,39618,52728
+[n:1]:[c:2]:1:[c:3](:[c:4](-[c:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:2):[c:11]:[n:12]:1):[c:13]:[n:14]>>[n:1]:[c:2]:1:[c:3](:[c:4](:[c:11]:[n:12]:1)-[I:15]):[c:13]:[n:14].[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[B:17](-[O:16])-[O:18]	3	34040,46100,46101
+[c:1]:[c:2](-[N:3]-[c:4]:[c:6]:[n:5]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[N:3]-[c:4]:[c:6]:[n:5]	3	34092,48703,48704
+[C:1]-[n:2](:[n:3]):[c:5]:[c:4]>>[C:1](-[n:2](:[n:3]):[c:5]:[c:4])-[Si:7](-[C:6])(-[C:8])-[C:9]	3	34129,34130,34131
+[c:1]-[c:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1>>[N:4](=[N+:5]=[N-:6])-[Si:8](-[C:7])(-[C:9])-[C:10].[c:1]-[C:2]#[C:3]	3	34141,34155,34161
+[C:1]-[N:2](-[C:3]-1-[C:4]-[C:5]-1)-[C:6]>>[C:1]-[N:2]-[C:6].[C:3]-1(-[C:4]-[C:5]-1)(-[O:9]-[C:8]-[C:7])-[O:10]-[Si:11](-[C:12])(-[C:13])-[C:14]	3	34173,34174,34175
+[c:1](-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]):[c:7]:[n:8]>>[c:1](-[N:2]-[C:3]):[c:7]:[n:8].[C:4](=[O:5])(-[c:6])-[O:9]	3	34262,36214,43788
+[c:1]:[c:2](-[c:3]:1:[c:4](:[n:5]):[n:6]:[n:7]:[c:8]:1):[c:9]>>[c:3]:1(:[c:4](:[n:5]):[n:6]:[n:7]:[c:8]:1)-[I:10].[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13]	3	34340,46565,46617
+[c:1](:[c:2]):[n:6]:[c:4](:[c:3])-[N+:5](=[O:7])-[O-:8]>>[c:1](:[c:2]):[n:6]:[c:4]:[c:3].[N+:5](=[O:7])(-[O-:8])-[O:9]	3	34411,36248,47691
+[c:1]:[c:4](:[c:3]:[c:2]):[n:5]>>[c:1]:[c:4](:[c:3](:[c:2])-[Br:6]):[n:5]	3	34434,51695,52737
+[c:1]-[C:2]=[C:3](-[C:4](=[O:5])-[O:6])-[c:7]>>[c:1]-[C:2]=[O:8].[C:3](-[C:4](=[O:5])-[O:6])-[c:7]	3	34437,43275,43287
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[S:6]):[n:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]):[n:7].[N:5]-[S:6]	3	34477,34480,45561
+[n:1]:[c:2](-[C:3]-[C:4]-[C:5]):[c:6]>>[n:1]:[c:2](-[C:3]):[c:6].[C:4](-[C:5])-[Br:7]	3	34695,43492,49522
+[c:1]:[c:2]:1:[n:3]:[c:4](:[n:5]:[c:6](-[c:7]):[c:8]:1:[c:9])-[O:10]>>[c:1]:[c:2](-[N:3]-[C:4](=[O:10])-[C:12](-[Cl:13])(-[Cl:14])-[Cl:15]):[c:8](-[C:6](-[c:7])=[O:11]):[c:9].[N:5]	3	34814,34840,34841
+[c:1]:[c:2](-[C:3]=[O:5]):[c:4]>>[C:3](-[Cl:6])(-[Cl:7])-[Cl:8].[O:5].[c:1]:[c:2]:[c:4]	3	34997,34998,34999
+[O:1]=[C:2](-[Cl:3])-[c:4]>>[Cl:3]-[P:6](-[Cl:5])(-[Cl:7])(-[Cl:8])-[Cl:9].[O:1]=[C:2](-[c:4])-[O:10]	3	35176,35177,35178
+[c:1]:1(:[c:2]:[c:4](:[n:3]):[c:5]:[c:6]:[n:7]:1)-[Cl:8]>>[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[c:1]:1(:[c:2]:[c:4](:[n:3]):[c:5]:[c:6]:[n:7]:1)-[O:13]	3	35215,35328,35535
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[Cl:7]):[n:8]:1>>[Cl:7]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[c:1]:[c:2]-1:[c:3](:[c:4])-[N:5]-[C:6](-[N:8]-1)=[O:13]	3	35354,35389,35390
+[c:1]:1(:[c:2]:[c:3]:[n:4]:[c:5](:[n:6]):[c:7]:1)-[Cl:8]>>[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[c:1]:1(:[c:2]:[c:3]:[n:4]:[c:5](:[n:6]):[c:7]:1)-[O:13]	3	35357,35358,35537
+[c:1]:[c:2](:[n+:3]:[c:4](:[c:5])-[Cl:7]):[c:6]>>[Cl:7]-[P:8](-[Cl:9])(-[Cl:10])=[O:11].[c:1]:[c:2](:[n+:3]:[c:4]:[c:5]):[c:6]	3	35359,35378,35421
+[c:1]:[c:2](-[C:3]-[Cl:4]):[s:5]>>[Cl:4]-[S:7](=[O:6])-[Cl:8].[c:1]:[c:2](-[C:3]-[O:9]):[s:5]	3	35575,35579,35853
+[c:1]:1:[c:2](-[C:3](=[O:7])-[Cl:8]):[c:4]:[n:5]:[n:6]:1>>[Cl:8]-[S:10](=[O:9])-[Cl:11].[c:1]:1:[c:2](-[C:3](=[O:7])-[O:12]):[c:4]:[n:5]:[n:6]:1	3	35582,35583,35786
+[c:1]-[C:2](=[N:3]-[c:4])-[Cl:5]>>[Cl:5]-[S:7](=[O:6])-[Cl:8].[c:1]-[C:2](-[N:3]-[c:4])=[O:9]	3	35590,35591,35674
+[O:1]=[C:2](-[C:3](=[C:4])-[C:5])-[Cl:6]>>[Cl:6]-[S:8](=[O:7])-[Cl:9].[O:1]=[C:2](-[C:3](=[C:4])-[C:5])-[O:10]	3	35715,35800,35820
+[C:1]=[C:2]-[C:3](=[O:4])-[Cl:5]>>[Cl:5]-[S:7](=[O:6])-[Cl:8].[C:1]=[C:2]-[C:3](=[O:4])-[O:9]	3	35740,35751,35764
+[c:1]:[c:2](:[n:3]:[c:4]:[c:5])-[O:6]>>[c:1]:[c:2](:[n:3]:[c:4]:[c:5])-[N:7].[O:6]=[N:9]-[O:8]	3	35974,42370,47209
+[c:1]:[c:3](:[c:2])-[c:4](:[c:5]):[c:6]>>[c:1]:[c:3]:[c:2].[c:4](:[c:5])(:[c:6])-[B:8](-[O:7])-[O:9]	3	36127,45266,46706
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:9]:[c:8](:[n:5]:1-[C:6])-[N:7]>>[c:1]:[c:4](:[c:3](:[c:2])-[N:9]-[C:8](-[N:7])=[S:10])-[N:5]-[C:6]	3	36137,41442,41443
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[n:7]:1>>[N:1]-[C:2](=[N:7]-[C:5]#[N:6])-[S:9]-[C:8].[N:3]-[N:4]	3	36179,42172,42293
+[O:1]-[N:2](-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[C:10]>>[O:1]-[N:2]-[C:10].[C:3](=[O:4])(-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[Cl:11]	3	36184,36187,40154
+[c:1]-[N:2]=[C:3]-[c:4]:[c:5]:[n:6]>>[c:1]-[N:2].[C:3](-[c:4]:[c:5]:[n:6])=[O:7]	3	36194,47888,49175
+[n:1]:1:[c:2]:[c:3]:2:[c:4]:[n:5](-[c:6]):[n:7]:[c:8]:2:[c:9]:[c:10]:1>>[n:1]:1:[c:2]:[c:3](-[C:4]=[N:5]-[c:6]):[c:8](-[N:7]=[N+:12]=[N-:11]):[c:9]:[c:10]:1	3	36196,49366,49367
+[c:1]:[c:4](:[n:3]:[n:2])-[O:5]>>[c:1]:[c:4](:[n:3]:[n:2])-[Cl:9].[O:5]=[C:7](-[C:6])-[O:8]	3	36204,41583,44153
+[c:1]:[c:2](-[O:3]-[c:4](:[c:5]:[n:6]):[c:8]:[n:7]):[c:9]>>[c:1]:[c:2](:[c:9])-[F:10].[O:3]-[c:4](:[c:5]:[n:6]):[c:8]:[n:7]	3	36222,39940,54138
+[N:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[s:6]:1>>[N:1]-[C:2](-[N:3])=[S:6].[C:4](-[C:5]-[Cl:8])=[O:7]	3	36230,42080,44585
+[N:1]=[C:2]-[C:3]-[S:4]-[c:5](:[c:6]:[n:7]):[n:8]>>[N:1]=[C:2]-[C:3]-[Cl:9].[S:4]-[c:5](:[c:6]:[n:7]):[n:8]	3	36250,43297,48138
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5](:[n:6]):[n:7]:[c:8]:[c:9]:1):[c:10]>>[c:3]:1(:[c:4]:[c:5](:[n:6]):[n:7]:[c:8]:[c:9]:1)-[Cl:11].[c:1]:[c:2](:[c:10])-[B:13](-[O:12])-[O:14]	3	36302,36866,46577
+[c:1]:1:[c:2]:[n:3](-[c:4](:[c:5]):[n:8]:[c:7]:[c:6]):[c:9]:[n:10]:1>>[c:4](:[c:5])(:[n:8]:[c:7]:[c:6])-[Cl:11].[c:1]:1:[c:2]:[n:3]:[c:9]:[n:10]:1	3	36340,36372,53367
+[c:1]:[c:5](-[c:3](:[c:2]):[c:4]):[c:6]>>[c:1]:[c:5]:[c:6].[c:2]:[c:3](:[c:4])-[Br:7]	3	36394,46470,51231
+[c:1]:1:[c:2]:[n:3]:2-[C:4]-[C:5]-[C:6]-[C:7]-[c:8]:2:[n:9]:1>>[c:1]:1:[c:2]:[n:3]:2:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:2:[n:9]:1	3	36402,51464,53305
+[c:1]:[n:8]:[c:4](:[n:3]:[c:2])-[N:5](-[C:6])-[c:7]>>[N:5](-[C:6])-[c:7].[c:1]:[n:8]:[c:4](:[n:3]:[c:2])-[Cl:9]	3	36462,36969,41463
+[n:1]:[c:2](:[c:3](-[N+:4](=[O:7])-[O-:8]):[c:5]):[c:6]>>[n:1]:[c:2](:[c:3]:[c:5]):[c:6].[N+:4](=[O:7])(-[O-:8])-[O:9]	3	36473,47744,47768
+[C:1]-1-[C:2](-[O:3]-1)-[c:4]>>[O:3]-[O:7]-[C:6](=[O:5])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12](-[Cl:13]):[c:14]:1.[C:1]=[C:2]-[c:4]	3	36539,36557,36606
+[C:1]-[C:2]=[C:3](-[c:4])-[c:5]>>[C:1]-[C:2]-[C:3](-[c:4])(-[c:5])-[O:6]	3	36735,43295,56081
+[C:1]-[C:2]-[C:3](-[c:4])-[c:5]>>[C:1]-[C:2]=[C:3](-[c:4])-[c:5]	3	36736,52190,56109
+[N:1](-[C:2]-[C:3]-[C:4]#[N:5])-[c:6]>>[N:1]-[c:6].[C:2]=[C:3]-[C:4]#[N:5]	3	36790,41250,41253
+[c:1]:[c:2]:1:[n:3]:[c:4](-[N:5]-[c:6]):[c:7]:[c:8]:[n:9]:1>>[N:5]-[c:6].[c:1]:[c:2]:1:[n:3]:[c:4](:[c:7]:[c:8]:[n:9]:1)-[Cl:10]	3	36792,36793,49221
+[c:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:3](-[c:4])=[O:6].[c:1]-[N:2]-[C:5]	3	36849,44645,54550
+[c:1]:[c:2](-[N:3]-1-[C:4]=[C:5]-[C:6]=[C:7]-[C:8]-1=[O:9]):[c:10]>>[c:1]:[c:2](:[c:10])-[I:11].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[O:9]	3	36860,51559,54831
+[n:1]:1:[c:2]:[c:3]:[c:4](-[O:5]):[c:6]:[c:7]:1-[O:8]>>[N+:1]-1(-[C:2]=[C:3]-[C:4](-[O:5])=[C:6]-[C:7]-1=[O:8])-[O-:9]	3	36925,43323,54782
+[c:1]-[C:2](-[N:3]-[N:4]-[C:5]=[S:6])=[O:7]>>[c:1]-[C:2](=[O:7])-[O:8].[N:3]-[N:4]-[C:5]=[S:6]	3	37054,42355,42357
+[C:1]-[N:2]-1-[C:3]-[c:4](:[c:5]-[C:8]-1=[O:9]):[c:7]:[n:6]>>[C:1]-[N:2].[C:3](-[c:4](:[c:5]-[C:8](=[O:9])-[O:12]-[C:11]-[C:10]):[c:7]:[n:6])-[Br:13]	3	37153,37920,49008
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-1(-[c:6])-[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[N:12]-[O:13]-1>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5](-[c:6])=[C:7]-[C:8](-[c:9](:[c:10]):[s:11])=[O:14].[N:12]-[O:13]	3	37179,37180,37184
+[C:1]-[C:2](=[O:3])-[C:4](-[F:5])(-[F:6])-[F:7]>>[C:1]-[C:2](-[O:3])-[C:4](-[F:5])(-[F:6])-[F:7]	3	37373,37422,37618
+[c:1]-[c:2]:1:[n:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[F:8]):[c:9]:[n:10]:1-[c:11]>>[c:1]-[C:2]-1=[N:3]-[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])(-[C:9]-[N:10]-1-[c:11])-[O:12]	3	37690,37691,37696
+[N:1]=[C:2](-[N:3])-[N:4]>>[C:2](-[N:3])(-[N:4])=[S:5].[N:1]	3	37886,37887,40886
+[O:1]=[C:2](-[N:3]-[c:4]:[c:6]:[n:5])-[c:7]:[c:8]:[n:9]>>[O:1]=[C:2](-[c:7]:[c:8]:[n:9])-[O:10].[N:3]-[c:4]:[c:6]:[n:5]	3	37964,37967,42757
+[N:1]-[C:2](-[C:3])=[C:4](-[C:5](-[N:6])=[O:7])-[C:8]>>[N:1]-[C:2](-[C:3])=[C:4](-[C:5](=[O:7])-[O:9])-[C:8].[N:6]	3	38014,38995,39001
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[s:7]:1>>[C:5](-[C:6])#[N:8].[N:1]-[C:2](-[N:3]-[N:4])=[S:7]	3	38163,41313,42352
+[c:1]:[c:2]:[n:3](-[C:4]-1=[C:5]-[C:6]=[C:7]-2-[C:8](=[O:9])-[N:10](-[C:11])-[C:12]-[C:13]-[N:14]-2-[C:15]-1=[O:16]):[c:17]>>[N:10](-[C:11])-[C:12]-[C:13]-[O:19].[c:1]:[c:2]:[n:3](-[c:4]:1:[c:5]:[c:6]:[c:7](-[C:8](=[O:9])-[O:18]):[n:14]:[c:15]:1-[O:16]):[c:17]	3	38474,39054,40231
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5]-[c:6](:[c:7]):[c:9](:[c:8])-[N+:10](-[O-:11])=[O:13])=[O:12]	3	38511,43933,52723
+[c:1]:[c:2](-[C:3]#[N:5]):[c:4]>>[c:1]:[c:2](:[c:4])-[Br:10].[C:3]-1(-[N:5](-[C:6]-[C:7]-[C:8]-1)-[C:11])=[O:9]	3	38512,41605,41607
+[c:1]-[N:2](-[c:3](:[c:4]):[c:5])-[S:6]>>[c:3](:[c:4])(:[c:5])-[F:7].[c:1]-[N:2]-[S:6]	3	38571,48663,51642
+[O:1]-[C:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])-[c:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:9].[O:1]=[C:2]-[c:8]	3	38581,48435,54760
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]:[c:7]:[n:6]):[c:8]>>[C:3](=[O:4])(-[c:5]:[c:7]:[n:6])-[N:12](-[O:11]-[C:10])-[C:13].[c:1]:[c:2](:[c:8])-[Br:9]	3	38670,48718,51765
+[c:1](:[n:2]:[c:3](-[C:4](=[C:5]-[C:6])-[C:7]):[c:8]):[c:9]>>[C:4](=[C:5]-[C:6])(-[C:7])-[B:12](-[O:11])-[O:13].[c:1](:[n:2]:[c:3](:[c:8])-[Br:10]):[c:9]	3	38883,46386,48278
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[o:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Br:11].[c:3]:1(:[c:4]:[c:5]:[c:6](:[c:7]):[o:8]:1)-[B:13](-[O:10])-[O:12]	3	38930,46779,46780
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[O:6]):[n:7]:[c:8]:1-[O:9]>>[N:4]=[C:5](-[O:6])-[N:7].[C:1]-[C:2](-[C:3]=[O:12])-[C:8](=[O:9])-[O:11]-[C:10]	3	38945,39569,39941
+[N:1]-1-[C:2](-[C:3])-[C:4]-[O:5]-[C:14]-1=[O:13]>>[C:2](-[C:3])(-[C:4]-[O:5])-[C:14](=[O:13])-[O:15].[N:1](=[N+:17]=[N-:16])-[P:18](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(=[O:19])-[c:20]:2:[c:6]:[c:24]:[c:23]:[c:22]:[c:21]:2	3	38983,39406,39449
+[C:1]-1-[N:2]-[C:3](=[O:4])-[N:5](-[c:6])-[C:7](=[C:8]-1-[C:9])-[C:10]>>[C:1](-[N:2])-[C:8](=[C:7](-[N:5]-[c:6])-[C:10])-[C:9].[C:3](=[O:4])(-[n:13]:1:[c:12]:[c:11]:[n:20]:[c:19]:1)-[n:14]:2:[c:15]:[c:16]:[n:17]:[c:18]:2	3	39016,39666,39950
+[c:1]-[S:2]>>[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:5]	3	39129,45448,45469
+[C:1]=[C:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:7].[C:1]=[C:2]-[B-:9](-[F:8])(-[F:10])-[F:11]	3	39132,40251,40252
+[N+:1]-[C:2]-[C:3]-[c:4]:[c:6]:[n:5]>>[N+:1]-[C:2]=[C:3]-[c:4]:[c:6]:[n:5]	3	39146,46193,52788
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[c:7]):[n:8]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[N:8]-[C:6](-[c:7])=[O:9]	3	39189,39190,53261
+[O:1]=[C:2](-[O:3])-[c:4]:[c:5]:[n:6]>>[O:1]=[C:2]-[c:4]:[c:5]:[n:6].[O:3]-[S:8](-[N:7])(=[O:9])=[O:10]	3	39323,43554,45785
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[c:7])-[c:8]>>[C:5](-[O:6])(-[c:7])=[O:9].[N:1]-[C:2](=[O:3])-[C:4]-[c:8]	3	39411,44306,54292
+[C:1]-[c:2]>>[C:1](-[c:2])=[O:3]	3	39436,44642,50058
+[c:1](:[c:2]:[s:9])-[C:5](=[N:4]-[c:3])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[c:1](:[c:2]:[s:9])-[C:5](-[N:4]-[c:3])=[N:10]	3	39460,39757,40295
+[c:1](:[c:2]-[N:3]-[S:4](=[O:5])(=[O:6])-[c:7]):[s:8]>>[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:9].[c:1](:[c:2]-[N:3]):[s:8]	3	39541,42751,42753
+[N:1]#[C:2]-[C:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[O:8]-[C:7].[N:1]#[C:2]-[C:3]	3	39623,41217,41218
+[C:1]-[C:2](-[C:3]=[C:4]-[N:6])=[O:5]>>[C:1]-[C:2](-[C:3])=[O:5].[C:4](-[N:6])(-[O:8]-[C:7])-[O:9]-[C:10]	3	39654,40129,40207
+[c:1]-[C:2](-[O:3])-[C:4](-[c:5])(-[S:6])-[S:7]>>[C:4](-[c:5])(-[S:6])-[S:7].[c:1]-[C:2]=[O:3]	3	39688,40083,50615
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10](-[C:9])(=[O:11])=[O:12].[O:4]-[C:5]	3	40031,45315,45320
+[c:1]:1:[c:2](:[n:3](:[n:4]):[c:6](:[c:5]):[n:7]:1)-[I:8]>>[c:1]:1:[c:2]:[n:3](:[n:4]):[c:6](:[c:5]):[n:7]:1.[I:8]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	3	40126,44435,44437
+[c:1](:[c:2]-[O:3]-[C:4]-[c:5]):[s:6]>>[C:4](-[c:5])-[Br:7].[c:1](:[c:2]-[O:3]):[s:6]	3	40127,44211,50825
+[c:1]:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]:[n:7]):[c:8]):[c:9]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:9])-[Cl:10].[c:5](:[c:6]:[n:7])(:[c:8])-[B:12](-[O:11])-[O:13]	3	40213,46672,46769
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:8]:1)-[I:9].[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12]	3	40618,41380,41385
+[c:1]-[C:2]-1(-[C:3])-[N:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]>>[N:7]#[C:8].[N:4].[C:5](-[O:6])(=[O:10])-[O:11].[c:1]-[C:2](-[C:3])=[O:9]	3	40640,40642,40643
+[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[N:6]):[s:7]>>[N:6].[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[Cl:8]):[s:7]	3	40707,40708,40718
+[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:[c:7]:1-[N:8]):[n:9]>>[N:8].[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:[c:7]:1-[O:14]-[c:13]:2:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:2):[n:9]	3	40844,40974,40975
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[o:7]:1>>[C:5](#[N:6])-[Br:8].[c:1]-[C:2](-[N:3]-[N:4])=[O:7]	3	41192,41195,41200
+[N:1]-[c:2]:1:[c:3](-[C:4](-[N:5])=[O:6]):[n:7]:[c:8](-[N:9]-[c:10]):[s:11]:1>>[N:1]#[C:2]-[C:3](-[C:4](-[N:5])=[O:6])-[N:7].[C:8](=[N:9]-[c:10])=[S:11]	3	41237,41238,41239
+[N:1]-[C:7](=[C:5](-[C:3](-[N:2])=[O:4])-[N:6])-[N:8]>>[N:1]-[C:7](=[C:5]-[C:3](-[N:2])=[O:4])-[N:8].[N:6](=[O:9])-[O:10]	3	41578,41586,47205
+[c:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[c:6](:[c:7](:[c:8]):[n:10]:1):[c:9]>>[c:1]-[C:2]-[Cl:11].[S:3]=[C:4]-1-[N:5]-[c:6](:[c:7](:[c:8])-[N:10]-1):[c:9]	3	41601,49579,51396
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5]):[c:6].[C:1]-[C:2](-[O:3])=[O:7]	3	41629,52172,54260
+[C:1]-[N:2]-1-[N:3]=[N:4]-[N:5]-[C:6]-1=[O:7]>>[N:2]-1-[N:3]=[N:4]-[N:5]-[C:6]-1=[O:7].[C:1]-[O:13]-[S:10](-[O:9]-[C:8])(=[O:11])=[O:12]	3	41715,41716,45835
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[n:7]:[c:8]:[c:9]:2):[s:10]:1>>[S:10]=[C:14](-[N:13])-[N:15].[c:1]-[C:2](=[N:3]-[c:4]:1:[c:5](:[c:6]:[n:7]:[c:8]:[c:9]:1)-[F:11])-[Cl:12]	3	42061,42062,42065
+[C:1]-[c:2]:1:[c:3]:2:[c:4]:[n:5]:[c:6]:[c:7]:[c:8]:2:[n:9]:[n:10]:1>>[N:9]-[N:10].[C:1]-[C:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:[c:8]:1-[O:12])=[O:11]	3	42204,42206,42296
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:2>>[N:3]-[N:4].[N:1]#[C:2]-[c:6]:1:[c:5](:[c:10]:[c:9]:[n:8]:[c:7]:1)-[Cl:11]	3	42239,42245,42250
+[N:1]-1-[c:2](:[c:3]-[N:5](-[c:6])-[S:7]-1(=[O:8])=[O:9]):[c:4]>>[N:1]-[S:7](=[O:8])(=[O:9])-[N:10].[c:2](:[c:3]-[N:5]-[c:6])(:[c:4])-[N:11]	3	42365,42368,42369
+[c:1]-1:[c:2]-[N:3]-[C:4](=[O:5])-[O:6]-1>>[c:1](:[c:2]-[N:3])-[O:6].[C:4](=[O:5])(-[n:9]:1:[c:8]:[c:7]:[n:16]:[c:15]:1)-[n:10]:2:[c:11]:[c:12]:[n:13]:[c:14]:2	3	42411,42519,49306
+[O:1]=[C:2](-[N:3]-[c:4](:[c:5]:[n:6]):[c:8]:[n:7])-[c:9]>>[N:3]-[c:4](:[c:5]:[n:6]):[c:8]:[n:7].[O:1]=[C:2](-[c:9])-[Cl:10]	3	42531,50510,50568
+[c:1]-[N:2]-[C:3](-[N:4])=[S:5]>>[c:1]-[N:2].[C:3](=[N:4]-[C:7](=[O:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)=[S:5]	3	42591,51940,51946
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[O:5]-[C:4]	3	42610,43573,48720
+[O:1]=[C:2]-1-[N:3]-[c:4]:[c:6](:[n:5])-[N:7]-1>>[N:3]-[c:4]:[c:6](:[n:5])-[N:7].[O:1]=[C:2](-[n:10]:1:[c:9]:[c:8]:[n:17]:[c:16]:1)-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	3	42787,49178,49743
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[s:7]:1>>[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](:[s:7]:1)-[N:8]	3	42863,42867,48386
+[c:1]:1:[c:2](-[C:3](=[O:4])-[c:5]):[c:6]:[c:7]:[o:8]:1>>[c:1]:1:[c:2]:[c:6]:[c:7]:[o:8]:1.[C:3](=[O:4])(-[c:5])-[Cl:9]	3	43076,51274,51809
+[c:1]:1:[c:2]:[c:3](:[c:4]:[c:5]:[n:6]:1)-[c:8](:[c:7]:[n:10]):[c:9]>>[c:1]:1:[c:2]:[c:3](:[c:4]:[c:5]:[n:6]:1)-[I:11].[c:7](:[c:8](:[c:9])-[B:13](-[O:12])-[O:14]):[n:10]	3	43311,46429,46479
+[c:1]-[C:2]-1(-[C:3])-[O:4]-[C:5]-[C:6]-[O:7]-1>>[c:1]-[C:2](-[C:3])=[O:4].[C:5](-[C:6]-[O:7])-[O:8]	3	43365,46970,46971
+[c:1]:1:[n:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[n:7]:[n:8]:[n:9]:2-[c:10]>>[N:8](-[O:15]-[C:14]-[C:13]-[C:12]-[C:11])=[O:16].[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]:[n:6]:1)-[N:7])-[N:9]-[c:10]	3	43489,43490,43491
+[c:1](-[C:2](-[N:3]-[O:4])=[N:5]):[c:6]:[n:7]>>[c:1](-[C:2]#[N:5]):[c:6]:[n:7].[N:3]-[O:4]	3	43532,47064,47193
+[c:1](:[n:2]):[c:4](:[n:3])-[O:5]>>[c:1](:[n:2]):[c:4](:[n:3])-[O:5]-[C:6]	3	43559,46111,56909
+[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1-[C:7](-[C:8]-[C:9])-[O:10]>>[C:7](=[C:8]-[C:9])-[O:10].[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1	3	43742,43744,43745
+[c:1]:[c:2]:1:[n:3]:[c:4](:[c:5]:[c:12]:1)-[C:10](-[N:9]-[C:6]-[C:7](=[O:8])-[O:13])-[c:11]>>[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:12]:1.[C:6](-[C:7](=[O:8])-[O:13])-[N:9].[C:10](-[c:11])=[O:14]	3	43920,43921,43922
+[O:1]=[C:2](-[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8](:[n:9]):[c:10]>>[O:1]=[C:2](-[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8](:[n:9]):[c:10])-[O:12]-[C:11]	3	44057,44058,44063
+[c:1]:[c:2](-[O:3]):[n:4]:[c:5]:[c:6]>>[O:3]=[C:8](-[C:7])-[O:9].[c:1]:[c:2](:[n:4]:[c:5]:[c:6])-[Cl:10]	3	44125,44128,44136
+[C:1](=[O:2])-[O:6]-[C:4](-[c:3])=[O:5]>>[C:1](=[O:2])-[O:6].[c:3]-[C:4](=[O:5])-[O:7]	3	44186,44284,51356
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:[c:9]:1-[c:10]>>[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[N:8].[c:1]-[C:2](-[C:9](-[c:10])=[O:12])=[O:11]	3	44189,46073,48909
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[I:7]>>[I:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1	3	44399,44406,44442
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[I:6]):[n:7]:1:[c:8]:[c:9]>>[I:6]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:7]:1:[c:8]:[c:9]	3	44426,44427,44438
+[c:1]:[c:2](-[N:3]=[C:4]=[S:6]):[n:5]>>[C:4](=[S:6])(-[N:16]-1-[C:11](=[O:10])-[C:12]=[C:13]-[C:14]=[C:15]-1)-[N:17]-2-[C:8](-[C:7]=[C:20]-[C:19]=[C:18]-2)=[O:9].[c:1]:[c:2](-[N:3]):[n:5]	3	44469,44470,44471
+[c:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[n:9]:1:2>>[C:1](-[C:2]=[O:10])-[Cl:11].[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[n:9]:1	3	44587,44592,44593
+[c:1]-[C:2]-[N:3]-[c:4]:[c:6]:[n:5]>>[c:1]-[C:2]=[O:7].[N:3]-[c:4]:[c:6]:[n:5]	3	44810,50020,54603
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1>>[c:1]:[c:2]:1:[n:3](:[n:4]:[c:5]:[c:6]:1)-[S:12](-[c:11]:2:[c:10]:[c:9]:[c:8](-[C:7]):[c:16]:[c:15]:2)(=[O:13])=[O:14]	3	44873,44874,55473
+[c:1]-[C:2](=[S:3])-[N:4]>>[c:1]-[C:2](-[N:4])=[O:5].[S:3]=[P:16]-1-2-[S:15]-[P:12]-3(-[S:11]-[P:9](-[S:8]-[P:7](=[S:6])(-[S:14]-3)-[S:17]-1)(=[S:10])-[S:18]-2)=[S:13]	3	45273,47428,47430
+[c:1]-[N:2]-[C:4](=[N:3])-[c:5]>>[c:1]-[N:2].[N:3]#[C:4]-[c:5]	3	45289,49284,50680
+[C:1]-[c:2]:1:[c:3](-[O:4]):[c:5](:[c:6]):[c:8](:[c:7]):[n:9]:1>>[c:5](:[c:6]):[c:8](:[c:7])-[N:9]-[N:10].[C:1]-[C:2](-[C:3]-[O:4])=[O:11]	3	45311,54586,54587
+[c:1]:1:[c:2]:[n:3]:[n:4](-[S:5](=[O:6])(=[O:7])-[c:8]):[c:9]:1:[c:10]>>[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:11].[c:1]:1:[c:2]:[n:3]:[n:4]:[c:9]:1:[c:10]	3	45495,51144,53961
+[O:1]=[C:2]-[C:3](-[O:4])=[C:6](-[C:5])-[O:7]>>[O:1]-[C:2]-[C:3](-[O:4])=[C:6](-[C:5])-[O:7]	3	45657,53027,56576
+[c:1]-[C:2](-[O:3])=[O:7]>>[O:3]-[S:5](=[O:4])(-[O:6])=[O:7].[c:1]-[C:2]#[N:8]	3	45797,45800,45802
+[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[O:7]):[c:6]>>[S:3](=[O:4])(=[O:5])(-[O:7])-[O:8].[c:1]:[c:2]:[c:6]	3	45801,45803,45815
+[C:1]-[O:2]-[C:3]=[O:4]>>[C:1]-[O:10]-[S:7](-[O:6]-[C:5])(=[O:8])=[O:9].[O:2]-[C:3]=[O:4]	3	45834,45841,45847
+[c:1]-[O:2]>>[c:1]-[O:2]-[S:4](-[C:3])(=[O:5])=[O:6]	3	45884,45885,45887
+[c:1]-[C:2](-[C:3])(-[C:4])-[O:5]>>[C:4]-[Li:6].[c:1]-[C:2](-[C:3])=[O:5]	3	45996,47548,47549
+[C:1]-[C:2](=[C:3](-[O:4]-[C:5]-[c:6])-[C:7]=[O:8])-[O:9]>>[C:1]-[C:2](=[C:3](-[O:4])-[C:7]=[O:8])-[O:9].[C:5](-[c:6])-[Br:10]	3	46175,46824,46825
+[c:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:1>>[c:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:1-[S:9](=[O:8])(=[O:10])-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2	3	46182,46245,57012
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[n:7]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N+:7](-[O-:8])=[O:11].[C:6](=[O:9])-[O:10]	3	46315,46895,46911
+[O:1]=[C:2]-[c:3]>>[O:1]=[Se:5]=[O:4].[C:2]-[c:3]	3	46351,46353,46355
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[n:7]:[n:8]>>[c:4](:[c:5])(:[c:6])-[B:11](-[O:10])-[O:12].[n:1]:[c:2]:[c:3](:[n:7]:[n:8])-[Br:9]	3	46526,46571,46589
+[C:1](-[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6]):[c:7]:1)=[O:8]>>[N:3](=[O:8])-[O:9].[c:1]:1:[c:2]:[c:7]:[c:5](:[n:4]:1):[c:6]	3	47211,47223,47224
+[O:1]=[S:2](-[C:3])-[c:4](:[n:5]):[n:6]>>[O:1]-[O:7].[S:2](-[C:3])-[c:4](:[n:5]):[n:6]	3	47251,47299,47312
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[c:1]-[C:2](-[N:3]-[c:4](:[c:5](:[c:6])-[O:9]):[c:7])=[O:8]	3	47348,47349,55612
+[C:1]-[C:2]-[S:3]-[c:4]>>[S:3]-[c:4].[C:1]-[C:2]-[O:13]-[S:10](-[c:9]:1:[c:8]:[c:7]:[c:6](-[C:5]):[c:15]:[c:14]:1)(=[O:11])=[O:12]	3	47496,53977,53988
+[c:1]-[C:2](-[C:3])=[O:4]>>[C:3]-[Li:6].[c:1]-[C:2](=[O:4])-[O:5]	3	47544,47545,47546
+[C:1]-[C:2](-[c:3](:[c:4]):[n:5])=[O:6]>>[C:1]-[Mg:11]-[Br:10].[C:2](-[c:3](:[c:4]):[n:5])(=[O:6])-[N:8](-[O:7]-[C:12])-[C:9]	3	47566,47568,47589
+[n:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[N+:6](=[O:8])-[O-:9]):[c:7]:1>>[N+:6](=[O:8])(-[O-:9])-[O:10].[n:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:7]:1	3	47607,47609,47610
+[C:1]-[n:2]:1:[n:3]:[n:4]:[n:5]:[c:6]:1-[c:7]>>[N-:3]=[N+:4]=[N-:5].[C:1]-[N:2]-[C:6](-[c:7])=[O:8]	3	47927,47932,48028
+[n:1]:[c:2]:[c:3]-[C:4]-[N:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[N:5])=[O:6]	3	48252,53311,53707
+[S:1]=[N:2]-[C:3](=[O:4])-[c:5]:[c:7]:[n:6]>>[C:3](=[O:4])(-[c:5]:[c:7]:[n:6])-[O:8].[S:1]=[N:2]	3	48262,49448,53044
+[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[c:6]>>[C:1]-[C:2]#[C:3]-[C:4](-[O:5])-[c:6]	3	48297,53670,55125
+[c:1]-[C:2]-1-[C:3]-[O:4]-1>>[c:1]-[C:2](-[C:3]-[Br:5])=[O:4]	3	48339,53531,55506
+[c:1]:[c:2](-[N:3]-[c:4]):[n:5]:[c:6]:[c:7]>>[c:1]:[c:2](:[n:5]:[c:6]:[c:7])-[F:8].[N:3]-[c:4]	3	48653,49760,50209
+[c:1]:[c:2]:1:[c:3](:[c:4]):[s:5]:[c:6]:[c:7]:1-[C:8]>>[c:1]:[c:2]:[c:3](:[c:4])-[S:5]-[C:6]-[C:7](-[C:8])=[O:9]	3	48811,54598,55482
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:[c:6]:1>>[c:1]:1:[c:2](:[c:3]:[n:4]:[n:5]:[c:6]:1)-[Cl:7]	3	48968,51857,57347
+[c:1]-[C:2]-[C:3](-[C:4])-[N+:5]>>[c:1]-[C:2]=[C:3](-[C:4])-[N+:5]	3	48973,50987,56641
+[C:1]-[C:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Mg:8]-[Br:7].[C:1]-[C:2]=[O:3]	3	49129,51465,57024
+[c:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[c:1]-[C:2]#[C:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10]	3	49179,51060,55983
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[o:6]>>[C:1]-[C:2](-[O:3])-[c:4](:[c:5]):[o:6]	3	49488,53163,53329
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]:[n:7]):[s:8]>>[N:4]-[c:5](:[c:6]:[n:7]):[s:8].[c:1]-[C:2](=[O:3])-[Cl:9]	3	49849,51389,53597
+[c:1]:[c:2](-[C:3]-[O:4]):[o:5]>>[c:1]:[c:2](-[C:3]=[O:4]):[o:5]	3	50091,50730,54634
+[n:1]:[c:3](:[c:2])-[C:4]-[c:5]>>[n:1]:[c:3](:[c:2])-[C:4](-[c:5])-[O:6]	3	50655,53876,54762
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8](-[O:7]-[C:6]):[c:16]:[c:13]:1-[O:14]-[C:15]	3	50741,50743,51875
+[c:1]-[C:2]=[C:3]-[c:4]>>[C:3](-[c:4])=[O:13].[c:1]-[C:2]-[P+:18](-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)(-[c:17]:2:[c:11]:[c:12]:[c:14]:[c:15]:[c:16]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	3	51383,53053,53054
+[c:1]:[c:2]:1:[c:3](-[c:4]):[o:5]:[n:6]:[c:7]:1:[c:8]>>[c:1]:[c:2](-[C:3](-[c:4])=[O:5]):[c:7](-[N:6]):[c:8]	3	51963,52056,52059
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3])(-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)-[c:11]:2:[c:4]:[c:15]:[c:14]:[c:13]:[c:12]:2	3	52082,52083,52084
+[N:1]-[c:2]:[c:3]:[n:4]>>[N:1](-[c:2]:[c:3]:[n:4])=[C:9](-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:17]:[c:16]:1)-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2	3	52125,52130,52131
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[N:4](-[c:5])-[C:15](-[c:14]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)-[c:16]:2:[c:8]:[c:7]:[c:6]:[c:18]:[c:17]:2	3	52149,52160,56143
+[c:1]:1(:[n:2]:[c:3](:[c:4]):[c:6](:[c:5]):[c:7]:[c:8]:1)-[O:9]>>[C:1](-[N:2]-[c:3](:[c:4]):[c:6]:[c:5])(-[C:8]=[C:7]-[c:14]:1:[c:13]:[c:12]:[c:11]:[c:10]:[c:15]:1)=[O:9]	3	52206,52210,52211
+[C:1]-[C:2]=1-[N:3]-[n:4]:2:[c:5](-[C:6]-[C:7](-[C:8])=[O:9]):[n:10]:[c:11](-[C:12]):[c:13]:2-[C:14](=[O:15])-[N:16]=1>>[C:1]-[c:2]:1:[n:3]:[n:4]:[c:13](-[C:11](-[N:10]-[C:5](-[C:6]-[C:7](-[C:8])=[O:9])=[O:17])-[C:12]):[c:14](-[O:15]):[n:16]:1	3	52268,52269,53910
+[N:1](-[C:2])-[C:3]-[C:4](=[O:5])-[O:6]>>[N:1](-[C:2])(-[C:3]-[C:4](=[O:5])-[O:6])-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1	3	52321,52479,56322
+[C:1](=[O:2])-[C:3]=[C:4](-[c:5])-[O:6]-[c:7]>>[C:1](=[O:2])-[C:3]-[C:4](-[c:5])=[O:8].[O:6]-[c:7]	3	52721,53574,53575
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[O:6]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[O:6]-[C:7]	3	53286,55624,57143
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[c:6])-[O:7]	3	53676,56706,56787
+[c:1]:1:[c:2](:[c:3]):[n:6](:[c:5]:[c:4]):[n:7]:[c:8]:1-[c:9]>>[C:1](-[c:2](:[c:3]):[n:6]:[c:5]:[c:4])-[C:8](=[N:7]-[O:10])-[c:9]	3	53738,55116,57072
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:3](-[c:4])-[P+:18](-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)(-[c:17]:2:[c:11]:[c:12]:[c:14]:[c:15]:[c:16]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3.[C:1]-[C:2]=[O:13]	3	53816,53818,54248
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:8](-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:22]:[c:21]:1)(-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2)-[c:15]:3:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:3	3	56088,56089,56090
+[N:1]-[C:2]>>[N:1]-[C:2](=[O:3])-[O:4]-[C:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	3	56439,56447,56509
+[C:1]-[C:2](-[C:3]-[Br:5])=[O:4]>>[Br:5].[C:1]-[C:2](=[O:4])-[Cl:12].[C:3](-[Si:7](-[C:6])(-[C:8])-[C:9])=[N+:10]=[N-:11]	2	3,4
+[C:1](-[C:2]-[C:3]-[C:4](=[O:5])-[O:7]-[C:6])-[Br:8]>>[Br:8].[C:1]-1-[C:2]-[C:3]-[C:4](=[O:5])-[O:9]-1.[C:6]-[O:7]	2	13,39
+[C:1]-[C:2](-[Br:3])-[C:4](=[O:5])-[O:6]>>[Br:3].[C:1]-[C:2](-[C:4](=[O:5])-[O:6])-[N:7]	2	31,94
+[C:1]-[C:2](=[O:3])-[C:4]-[Br:5]>>[Br:5].[C:1]-[C:2](=[O:3])-[C:4]=[N+:7]=[N-:6]	2	74,107
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8]-[C:9](-[C:10]-[Br:12])=[O:11]>>[Br:12]-[Br:13].[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6]-1(=[O:7])-[C:8]-[C:9](=[C:10])-[O:11]-1	2	141,144
+[C:1]=[C:2]-[C:3](-[C:4]-[Br:6])=[O:5]>>[Br:6]-[Br:7].[C:1]=[C:2]-[C:3](-[C:4])=[O:5]	2	181,361
+[C:1]-[C:7]=[C:5](-[C:3](-[C:2])=[O:4])-[Br:6]>>[Br:6]-[Br:8].[C:1]-[C:7]=[C:5]-[C:3](-[C:2])=[O:4]	2	227,358
+[c:1]:1:[c:2](-[Br:3]):[c:4]:[c:5]:[o:6]:1>>[Br:3]-[Br:7].[c:1]:1:[c:2]:[c:4]:[c:5]:[o:6]:1	2	261,364
+[c:1]:[c:2](-[Br:3]):[c:4]:[c:5]:[o:6]>>[Br:3]-[Br:7].[c:1]:[c:2]:[c:4]:[c:5]:[o:6]	2	293,339
+[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:1)-[Br:6]>>[Br:6]-[Br:7].[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1	2	344,385
+[N:1]-[C:2](-[C:3])=[C:4](-[C:5](=[O:6])-[N:7])-[Br:8]>>[Br:8]-[Br:9].[N:1]-[C:2](-[C:3])=[C:4]-[C:5](=[O:6])-[N:7]	2	386,387
+[N:1]-[C:2](-[C:3]-[Br:7])=[C:4](-[C:5])-[C:6]>>[Br:7]-[Br:8].[N:1]-[C:2](-[C:3])=[C:4](-[C:5])-[C:6]	2	411,439
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[Br:6]):[n:7]:1:[n:8]>>[Br:6]-[Br:9].[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:7]:1:[n:8]	2	453,454
+[n:1]:[c:2]:1:[c:3](:[c:4]:[n:5]:[n:6]:1)-[Br:7]>>[Br:7]-[Br:8].[n:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1	2	455,456
+[c:1](:[n:2]):[c:3]-[C:4]-[Br:5]>>[Br:5]-[C:7](-[Br:6])(-[Br:8])-[Br:9].[c:1](:[n:2]):[c:3]-[C:4]-[O:10]	2	516,524
+[C:1]-[C:2]-1(-[Br:3])-[C:4]-[C:5]-1(-[Br:6])-[Br:7]>>[C:5](-[Br:6])(-[Br:7])-[Br:8].[C:1]-[C:2](-[Br:3])=[C:4]	2	576,577
+[C:1]-[C:2]-[Br:3]>>[C:1]-[C:2](-[Br:3])-[Br:4]	2	583,584
+[C:1]-[C:2]#[C:3]-[C:4]-[O:5]-[c:6]>>[C:1]-[C:2]#[C:3]-[C:4]-[Br:7].[O:5]-[c:6]	2	598,600
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[s:7]>>[C:4](=[O:5])(-[C:6])-[Br:8].[c:1]:[c:2](-[N:3]):[s:7]	2	609,615
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[c:5](:[n:6]:1):[s:7]:[c:8](-[C:9](-[N:10])=[O:11]):[c:12]:2-[N:13]>>[C:8](-[C:9](-[N:10])=[O:11])-[Br:14].[c:1]:1:[c:2]:[c:3]:[c:4](:[c:5](:[n:6]:1)-[S:7])-[C:12]#[N:13]	2	629,31145
+[C:1](-[O:2]-[c:3])-[C:4](=[O:5])-[N:6]>>[C:1](-[C:4](=[O:5])-[N:6])-[Br:7].[O:2]-[c:3]	2	632,18864
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]>>[C:1]-[C:2](-[O:3])=[O:7].[N:4](-[C:5])-[c:6]	2	638,49963
+[c:1]-1:[c:2]-[O:3]-[C:4]-[C:5]-[O:6]-1>>[C:4](-[C:5]-[Br:8])-[Br:7].[c:1](:[c:2]-[O:3])-[O:6]	2	731,752
+[c:1]-[C:2]-1(-[C:3]#[N:4])-[C:5]-[C:6]-[C:7]-1>>[C:5](-[C:6]-[C:7]-[Br:9])-[Br:8].[c:1]-[C:2]-[C:3]#[N:4]	2	786,806
+[O:1]-[C:2](=[O:3])-[C:4]-1(-[c:5])-[C:6]-[C:7]-[C:8]-[C:9]-1>>[C:6](-[C:7]-[C:8]-[C:9]-[Br:10])-[Br:11].[O:1]-[C:2](=[O:3])-[C:4]-[c:5]	2	818,834
+[O:1]=[C:2]-[C:5](=[C:4]-[O:3])-[O:6]-[C:7]-[C:8]>>[C:7](-[C:8])-[Br:9].[O:1]=[C:2]-[C:5](=[C:4]-[O:3])-[O:6]	2	821,2088
+[C:1](-[C:2]-1(-[c:3])-[C:4]-[C:5]-[C:6]-[C:7]-1)#[N:8]>>[C:4](-[C:5]-[C:6]-[C:7]-[Br:10])-[Br:9].[C:1](-[C:2]-[c:3])#[N:8]	2	839,843
+[O:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6]-[C:7])-[c:8]>>[C:6](-[C:7])-[Br:9].[O:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:8]	2	842,10811
+[C:1]#[C:2]-[C:3]-[O:4]-[C:5]-[C:6]>>[C:5](-[C:6])-[Br:7].[C:1]#[C:2]-[C:3]-[O:4]	2	855,1382
+[c:1]:[c:2](-[C:3]-[C:4]):[c:5]>>[C:3](-[C:4])-[Br:6].[c:1]:[c:2]:[c:5]	2	866,4060
+[c:1]:1-[C:2]-[N:3](-[C:4]-[c:5]:1)-[C:6]>>[c:1](-[C:2]-[Br:7]):[c:5]-[C:4]-[Br:8].[N:3]-[C:6]	2	905,2143
+[N:1]-1-[C:2]=[C:3]-[N:4]=[C:5](-[C:6]-1=[O:7])-[Br:8]>>[Br:8]-[P:10](=[O:9])(-[Br:11])-[Br:12].[N:1]-1-[C:2]=[C:3]-[N:4]-[C:5](-[C:6]-1=[O:7])=[O:13]	2	916,917
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1)-[Br:7]>>[Br:7]-[P:9](=[O:8])(-[Br:10])-[Br:11].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1)-[O:12]	2	922,923
+[n:1]:[c:2]:[c:3]-[C:4]-[Br:5]>>[Br:5]-[P:7](-[Br:6])-[Br:8].[n:1]:[c:2]:[c:3]-[C:4]-[O:9]	2	941,977
+[C:1]-[C:2](=[C:3])-[C:4]-[Br:5]>>[Br:5]-[P:7](-[Br:6])-[Br:8].[C:1]-[C:2](=[C:3])-[C:4]-[O:9]	2	942,958
+[C:1]-[C:2](=[C:3]-[C:4]-[Br:6])-[C:5]>>[Br:6]-[P:8](-[Br:7])-[Br:9].[C:1]-[C:2](-[C:3]=[C:4])(-[C:5])-[O:10]	2	946,949
+[c:1](:[n:2]:[c:3]:[c:4])(:[c:5])-[Br:6]>>[Br:6]-[P:8](-[Br:7])-[Br:9].[c:1](:[n:2]:[c:3]:[c:4])(:[c:5])-[O:10]	2	954,975
+[c:1]:[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1:[c:7]>>[c:1]:[c:2](-[C:3]):[c:6](-[N:5]):[c:7].[N:4](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:13]	2	1069,24397
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]:[n:7]):[c:8]):[c:9]:[n:10]:1>>[c:5](:[c:6]:[n:7])(:[c:8])-[Br:11].[c:1]:1:[c:2]:[n:3]:[c:4](:[c:9]:[n:10]:1)-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24]	2	1089,7549
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:8]:1)-[Br:9].[c:5](:[c:6])(:[c:7])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	2	1098,29156
+[C:1]-[C:2](-[O:3])(-[c:4]:1:[c:5]:[c:6]:[c:7]:[s:8]:1)-[C:9]>>[c:4]:1(:[c:5]:[c:6]:[c:7]:[s:8]:1)-[Br:10].[C:1]-[C:2](=[O:3])-[C:9]	2	1102,13331
+[C:1]-[C:2](-[O:3])-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:9].[C:1]-[C:2]=[O:3]	2	1122,43797
+[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[N:6]-[c:7](:[n:8]:[c:9]:[c:10]):[c:11]>>[c:7](:[n:8]:[c:9]:[c:10])(:[c:11])-[Br:12].[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[N:6]	2	1128,45631
+[n:1]:[c:2](-[N:3]-[c:4](:[c:5]):[c:7]:[n:6]):[n:8]>>[c:4](:[c:5])(:[c:7]:[n:6])-[Br:9].[n:1]:[c:2](-[N:3]):[n:8]	2	1146,1155
+[c:1]:1:[c:2]:[n:3](-[c:4](:[c:5]):[c:7]:[n:6]):[c:8](:[c:9]):[c:10]:1>>[c:4](:[c:5])(:[c:7]:[n:6])-[Br:11].[c:1]:1:[c:2]:[n:3]:[c:8](:[c:9]):[c:10]:1	2	1153,36478
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]):[c:9]:[n:8]):[c:10]:1>>[c:6](:[c:7])(:[c:9]:[n:8])-[Br:11].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:10]:1)-[B:13](-[O:12])-[O:14]	2	1158,29372
+[c:1](:[n:2]):[c:4](:[c:3])-[N:5](-[C:6])-[C:8](-[C:7])=[O:9]>>[c:1](:[n:2]):[c:4](:[c:3])-[Br:10].[N:5](-[C:6])-[C:8](-[C:7])=[O:9]	2	1162,13068
+[C:1]#[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1>>[c:3]:1(:[c:4]:[c:5]:[c:6]:[s:7]:1)-[Br:8].[C:1]#[C:2]	2	1164,24206
+[C:1](-[c:2](:[c:3]:[n:4]):[n:5])-[Cl:6]>>[C:1](-[c:2](:[c:3]:[n:4]):[n:5])-[O:8].[Cl:6]-[S:10](-[Cl:7])=[O:9]	2	1170,35795
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[C:6](-[C:7])=[O:9]):[c:8]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[Br:10].[C:6](-[C:7])(=[O:9])-[N:13](-[O:12]-[C:11])-[C:14]	2	1177,1178
+[C:1]=[C:2]-[C:3](=[O:4])-[N:6](-[O:5])-[C:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:8].[O:5]-[N:6]-[C:7]	2	1179,41510
+[c:1]:1:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]:[c:7]:[n:8]:[c:9]:1:[n:10]>>[c:1]:1:[c:2](:[c:6]:[c:7]:[n:8]:[c:9]:1:[n:10])-[Br:11].[B:3](-[O:4]-[C:16](-[C:17])-[C:18])(-[O:5]-[C:19](-[C:20])-[C:21])-[O:15]-[C:13](-[C:12])-[C:14]	2	1188,11362
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[c:6](:[c:7]):[c:8]):[n:9]:1:[c:10]:[c:11]>>[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](:[n:9]:1:[c:10]:[c:11])-[Br:12].[c:6](:[c:7])(:[c:8])-[B:14](-[O:13])-[O:15]	2	1205,53126
+[C:1]-[n:2]:1:[c:3](-[c:4]):[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:3](-[c:4])(=[O:10])-[O:11].[C:1]-[N:2]-[c:7](:[c:6](-[N:5]):[c:9]):[c:8]	2	1220,51563
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[c:7]):[s:8]):[n:9]>>[c:1](:[c:2](-[C:3](=[O:4])-[O:10]):[s:8]):[n:9].[N:5](-[C:6])-[c:7]	2	1255,52891
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](-[c:7]):[n:8]:[o:9]:1>>[O:1]-[C:2](=[O:3])-[C:4]#[C:5].[C:6](-[c:7])(=[N:8]-[O:9])-[Cl:10]	2	1275,1281
+[C:1]#[C:2]-[C:3]-[N:4]-[C:5](=[O:6])-[c:7]:[c:8]:[n:9]>>[C:1]#[C:2]-[C:3]-[N:4].[C:5](=[O:6])(-[c:7]:[c:8]:[n:9])-[O:10]	2	1276,17135
+[C:1]-[C:2]#[C:3]-[c:4]:1:[c:5]:[n:6]:[c:7]:[s:8]:1>>[C:1]-[C:2]#[C:3].[c:4]:1(:[c:5]:[n:6]:[c:7]:[s:8]:1)-[Br:9]	2	1278,1279
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1-[S:9]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7](:[c:6])-[N:8]-[S:9])-[I:10]	2	1280,8912
+[c:1]-[n:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[O:9]):[n:7]:[n:8]:1>>[C:3]#[C:4]-[C:5](=[O:6])-[O:9].[c:1]-[N:2]=[N+:8]=[N-:7]	2	1283,1284
+[C:1]#[C:2]-[C:3]-[C:4]-1-[C:5]-[C:6]=[C:7]-[C:8]-1=[O:9]>>[C:4]-1-[C:5]-[C:6]=[C:7]-[C:8]-1=[O:9].[C:1]#[C:2]-[C:3]-[Br:10]	2	1306,1322
+[c:1]:1:[c:2]:[c:3](-[C:4]#[C:5]):[c:6]:[c:7]:[n:8]:1>>[C:4]#[C:5].[c:1]:1:[c:2]:[c:3](:[c:6]:[c:7]:[n:8]:1)-[Br:9]	2	1440,20696
+[c:1](:[n:2]):[c:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[n:8]:1>>[N-:6]=[N+:7]=[N:8]-[Si:10](-[C:9])(-[C:11])-[C:12].[c:1](:[n:2]):[c:3]-[C:4]#[C:5]	2	1445,3436
+[s:1]:[c:2](-[c:3]:1:[c:4]:[n:5](-[C:6]):[n:7]:[n:8]:1):[n:9]>>[s:1]:[c:2](-[C:3]#[C:4]):[n:9].[N:5](-[C:6])=[N+:7]=[N-:8]	2	1453,39485
+[C:1]-[N:2]-[C:3](=[C:4](-[C:5])-[C:6])-[N:7]>>[C:3](=[C:4](-[C:5])-[C:6])(-[N:7])-[S:9]-[C:8].[C:1]-[N:2]	2	1474,41229
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1-[C:9]#[N:10]>>[C:1]-[C:2](=[C:8](-[C:6]#[N:7])-[C:9]#[N:10])-[O:13]-[C:12]-[C:11].[N:3]-[N:4]-[c:5]	2	1475,1476
+[N:1]#[C:2]-[c:3]:1:[c:4](-[S:5]):[n:6]:[c:7](-[N:8]):[c:9](-[C:10]#[N:11]):[c:12]:1-[c:13]>>[C:7](#[N:8])-[C:9](-[C:10]#[N:11])=[C:12]-[c:13].[N:1]#[C:2]-[C:3]-[C:4](=[S:5])-[N:6]	2	1479,41296
+[c:1]-[C:2](=[C:5](-[C:3]#[N:4])-[C:6]#[N:7])-[O:9]-[C:8]>>[c:1]-[C:2](-[C:5](-[C:3]#[N:4])-[C:6]#[N:7])=[O:9].[C:8]-[O:10]-[S:13](-[O:12]-[C:11])(=[O:14])=[O:15]	2	1480,41236
+[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5](=[O:6])-[N:7](-[C:8])-[c:9]:2:[n:10]:[c:11]:[n:12]:[n:13]-1:2>>[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:16]-[C:15]-[C:14])=[O:17].[N:7](-[C:8])-[c:9]:1:[n:10]:[c:11]:[n:12]:[n:13]:1	2	1515,54173
+[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5](=[O:6])-[N:7](-[C:8])-[c:9]:2:[c:10]:[c:11]:[n:12]:[n:13]-1:2>>[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:16]-[C:15]-[C:14])=[O:17].[N:7](-[C:8])-[c:9]:1:[c:10]:[c:11]:[n:12]:[n:13]:1	2	1516,10265
+[O:1]=[C:2]-[c:3]>>[C:2](-[c:3])#[N:4].[O:1]=[S:6](=[O:5])(-[O:7])-[O:8]	2	1517,45808
+[N:1]-[C:7](-[C:5](=[C:3](-[C:2])-[N:4])-[N:6])=[O:8]>>[N:1]-[C:7](-[C:5](=[C:3](-[C:2])-[N:4])-[N+:6](=[O:9])-[O-:10])=[O:8]	2	1520,16444
+[C:1](-[C:2]=[C:11])-[C:9](-[N:8]-[c:4]:1:[c:3]:[n:7]:[n:6]:[c:5]:1)=[O:10]>>[c:3]:1:[c:4](:[c:5]:[n:6]:[n:7]:1)-[N:8].[C:1](-[C:2]=[C:11])-[C:9](=[O:10])-[O:12]	2	1534,1535
+[C:1]=[C:2]-[C:3]-[C:4]-[O:5]-[c:6]>>[C:1]=[C:2]-[C:3]-[C:4]-[Br:7].[O:5]-[c:6]	2	1545,1546
+[C:1]-[C:2]-[n:3]:1:[n:4]:[n:5]:[c:6]:[n:7]:1>>[C:1]-[C:2]-[Br:8].[n:3]:1:[n:4]:[n:5]:[c:6]:[n:7]:1	2	1553,4062
+[O:1]-[C:2](-[C:3])-[C:5]-[O:4]>>[C:2](-[C:3])=[C:5].[O:4]=[Os:7](=[O:6])(=[O:8])=[O:9].[O:1]	2	1562,42911
+[c:1]-[O:2]-[C:5]-[C:3]=[C:4]>>[c:1]-[O:2].[C:3](=[C:4])-[C:5]-[I:6]	2	1563,1565
+[C:1]=[C:2]-[C:3]-[C:4](-[C:5])-[O:6]>>[C:4](-[C:5])=[O:6].[C:1]=[C:2]-[C:3]-[Mg:7]-[Br:8]	2	1584,1585
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1-[C:8]-[C:7]=[C:6]	2	1587,56897
+[C:1](-[C:2]-1-[C:3]-[C:4]-1-[c:5])(=[O:7])-[N:8]>>[C:3]-[S+:10](=[O:6])(-[C:9])-[C:11].[C:1](-[C:2]=[C:4]-[c:5])(=[O:7])-[N:8]	2	1591,33650
+[C:1]-[C:2](-[C:3](=[O:4])-[O:5])-[c:6]>>[C:1]-[C:2](-[C:3](=[O:4])-[O:5])(-[c:6])-[C:7]#[N:8]	2	1603,49683
+[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[N:6]-[C:7]>>[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[Cl:8].[N:6]-[C:7]	2	1607,1609
+[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[O:6]-[c:7]>>[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[Cl:8].[O:6]-[c:7]	2	1610,1611
+[C:1]-[C:2]-1=[N:3]-[C:4](-[N:5]-[C:6]-1=[S:9])(-[c:7])-[C:8]>>[C:1]-[C:2](-[C:6](-[N:5])=[S:9])=[O:10].[N:3]=[C:4](-[c:7])-[C:8]	2	1617,1618
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6](=[O:7])-[O:8])-[C:9]>>[c:1]-[C:2](=[O:3])-[O:10].[N:4](-[C:5]-[C:6](=[O:7])-[O:8])-[C:9]	2	1626,46803
+[c:1]:[c:2]:[n:3]:1:[c:4]:[c:5](-[C:6]):[n:7]:[c:8]:1:[c:9]>>[C:4](-[C:5](-[C:6])=[O:10])-[Br:11].[c:1]:[c:2]:[n:3]:[c:8](-[N:7]):[c:9]	2	1692,18583
+[C:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:10])-[C:8](-[O:7])=[O:9]>>[C:1]-[C:2](=[O:3])-[Cl:11].[C:4](-[C:5](=[O:6])-[O:10])-[C:8](-[O:7])=[O:9]	2	1718,3175
+[c:1]-[C:2](-[N:3]-[N:4]-[C:5](-[C:6])=[O:8])=[O:7]>>[c:1]-[C:2](=[O:7])-[Cl:9].[N:3]-[N:4]-[C:5](-[C:6])=[O:8]	2	1723,26381
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[O:2]-[C:3](=[O:4])-[C:5]=[C:6].[C:1]-[O:7]	2	1744,32849
+[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])-[C:8](=[O:7])-[O:9].[C:1]-[C:2]=[O:10]	2	1754,1756
+[C:1](=[O:2])(-[C:3]=[C:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[O:10]>>[C:1](=[O:2])(-[C:3]-[C:12](=[O:11])-[O:13])-[O:10].[C:4](-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)=[O:14]	2	1758,1773
+[C:1](=[O:2])(-[C:3]=[C:4]-[c:5](:[n:6]):[c:7])-[O:8]>>[C:1](=[O:2])(-[C:3]-[C:10](=[O:9])-[O:11])-[O:8].[C:4](-[c:5](:[n:6]):[c:7])=[O:12]	2	1769,1770
+[c:1]:[c:2](-[C:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[Br:5].[C:3]-[Zn:7]-[C:6]	2	1786,26023
+[O:1]-[C:2](=[O:3])-[n:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:1>>[O:1]-[C:2](=[O:3])-[Cl:9].[n:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:1	2	1824,49461
+[O:1]-[C:2](=[O:3])-[N:4](-[c:5])-[S:6]>>[O:1]-[C:2](=[O:3])-[Cl:7].[N:4](-[c:5])-[S:6]	2	1830,1841
+[O:1]-[C:2](=[O:3])-[N:4](-[N:5]-[C:6]=[O:7])-[c:8]>>[O:1]-[C:2](=[O:3])-[Cl:9].[N:4](-[N:5]-[C:6]=[O:7])-[c:8]	2	1850,30801
+[O:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N:4]-[S:5]	2	1856,29911
+[C:1]-[C:2](-[C:3](=[O:4])-[O:7])(-[C:5]-[C:6])-[C:9](-[O:8])=[O:10]>>[C:1]-[C:2](-[C:3](=[O:4])-[O:7])-[C:9](-[O:8])=[O:10].[C:5](-[C:6])-[Br:11]	2	1869,29847
+[C:1](-[c:2](:[c:3]:[n:4]):[n:5])(=[O:6])-[N:8](-[O:7])-[C:9]>>[C:1](-[c:2](:[c:3]:[n:4]):[n:5])(=[O:6])-[O:10].[O:7]-[N:8]-[C:9]	2	1885,41549
+[C:1]-[C:2]-1=[C:3](-[C:4]=[O:5])-[N:6]-[C:7](=[O:8])-[N:9]-[C:10]-1=[O:11]>>[C:1]-[c:2]:1:[c:3](-[C:4]=[O:5]):[n:6]:[c:7](-[O:8]-[C:12]):[n:9]:[c:10]:1-[O:11]-[C:13]	2	1887,50555
+[C:1](=[O:2])-[O:7]-[C:3](-[C:4])=[N:5]-[c:6]>>[C:1](=[O:2])-[O:7].[C:3](-[C:4])(-[N:5]-[c:6])=[O:8]	2	1900,55646
+[O:1]=[C:2](-[N:3]-[C:4]-[C:5]=[C:6])-[c:7]:[c:8]:[n:9]>>[O:1]=[C:2](-[c:7]:[c:8]:[n:9])-[O:10].[N:3]-[C:4]-[C:5]=[C:6]	2	1939,1941
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[c:7](:[n:8]:[c:9]:[c:10]):[c:11]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1.[c:7](:[n:8]:[c:9]:[c:10])(:[c:11])-[F:12]	2	1950,40622
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6]>>[C:1]-[N:2]=[C:3]=[O:4].[O:5]-[C:6]	2	1979,1987
+[S:1]-[N:2]=[C:3]=[O:4]>>[C:3](=[O:4])=[N:9]-[C:8]-[C:7]-[C:6]-[C:5].[S:1]-[N:2]	2	1989,1992
+[s:1]:[c:2](-[N:3]-1-[C:4]-[C:5]-[N:6]-[C:7]-1=[O:8]):[n:9]>>[C:4](-[C:5]-[N:6]=[C:7]=[O:8])-[Cl:10].[s:1]:[c:2](-[N:3]):[n:9]	2	2005,2014
+[O:1]-[C:2](-[C:3])-[C:4]-1=[C:5](-[O:6])-[C:7](=[O:8])-[C:9]=[C:10]-[O:11]-1>>[O:1]=[C:2]-[C:3].[C:4]-1=[C:5](-[O:6])-[C:7](=[O:8])-[C:9]=[C:10]-[O:11]-1	2	2018,2019
+[C:1]-[C:2](-[c:8]:1:[c:3]:[c:4]:[n:5]:[c:6]:[c:7]:1)-[O:9]>>[C:1]-[C:2]=[O:9].[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:[c:8]:1	2	2039,29807
+[C:1](-[C:2]=[O:3])-[N:4](-[C:5])-[C:6](=[O:7])-[N:8]-[c:9](:[n:10]):[s:11]>>[C:6](=[O:7])=[N:8]-[c:9](:[n:10]):[s:11].[C:1](-[C:2]=[O:3])-[N:4]-[C:5]	2	2049,2052
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5](:[n:6]):[c:7]):[c:8]:[s:9]:1>>[C:4](-[c:5](:[n:6]):[c:7])(-[C:8]-[Br:11])=[O:10].[N:1]-[C:2](-[N:3])=[S:9]	2	2071,27462
+[C:1]-[C:2](=[C:3]-[C:4]-[N:5](-[C:6])-[C:7])-[C:8]>>[C:1]-[C:2](=[C:3]-[C:4]-[Br:9])-[C:8].[N:5](-[C:6])-[C:7]	2	2072,3110
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[N:6]-[C:7]-[C:8]-1=[O:9]>>[C:1]-[C:2]-[Br:10].[N:3]-1-[C:4](=[O:5])-[N:6]-[C:7]-[C:8]-1=[O:9]	2	2103,10790
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[N:6])-[c:7]>>[C:1]-[C:2]-[Br:8].[N:3](-[C:4](=[O:5])-[N:6])-[c:7]	2	2112,6821
+[C:1]-[C:2]-[C:3]-[C:4]>>[C:1]-[C:2]-[Br:6].[C:3](-[C:4])-[Br:5]	2	2118,4255
+[c:1]-1:[c:2]-[O:3]-[C:4]-[O:5]-1>>[C:4](-[Cl:6])-[Br:7].[c:1](:[c:2]-[O:3])-[O:5]	2	2128,2129
+[c:1]:[c:2]:1-[C:3](=[O:4])-[N:5](-[C:6]-[c:7])-[N:8]=[C:9]-[c:10]:1:[c:11]>>[C:6](-[c:7])-[Br:12].[c:1]:[c:2]:1:[c:3](-[O:4]):[n:5]:[n:8]:[c:9]:[c:10]:1:[c:11]	2	2146,25513
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[c:7]>>[C:6](-[c:7])-[Br:8].[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1	2	2151,54488
+[C:1]-[N:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])-[Br:7].[C:1]-[N:2]	2	2158,6207
+[C:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[n:6]:[c:7](-[S:8]-[C:9]-[c:10]):[n:11]:1>>[C:9](-[c:10])-[Br:12].[C:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6]-[C:7](=[S:8])-[N:11]-1	2	2167,6428
+[c:1]:[c:2](:[n:3])-[N:4](-[C:5](=[O:6])-[C:7])-[c:8]>>[C:5](=[O:6])(-[C:7])-[Cl:9].[c:1]:[c:2](:[n:3])-[N:4]-[c:8]	2	2173,14391
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]#[N:4].[O:3]	2	2196,42925
+[C:1]-[C:2]-[S:3]-[c:4](:[n:5]):[n:6]>>[C:1]-[C:2]-[Cl:7].[S:3]-[c:4](:[n:5]):[n:6]	2	2197,25726
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5]):[s:6]>>[c:1]:[c:2](-[C:3]#[C:4]-[C:5]):[s:6]	2	2198,28692
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]#[N:5].[O:3]=[S:7](=[O:6])(-[O:8])-[O:9].[O:4]	2	2201,40336
+[C:1]-[C:2]-[C:3](-[C:4]#[N:5])(-[c:6])-[C:7]-[C:8]>>[C:3](-[C:4]#[N:5])-[c:6].[C:1]-[C:2]-[Cl:9].[C:7](-[C:8])-[Cl:10]	2	2208,6526
+[c:1]-[N:2]-1-[N:3]=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]>>[c:1]-[N:2]-[N:3]=[C:4]-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[O:12]-[C:11]-[C:10]	2	2216,27598
+[C:1](-[C:2])(-[C:3]-[N:4](-[C:5])-[C:8]-[C:7]=[C:6])=[O:9]>>[N:4](-[C:5])-[C:8]-[C:7]=[C:6].[C:1](-[C:2])(-[C:3]-[Cl:10])=[O:9]	2	2230,2243
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:2:[c:6]:1:[n:7]:[c:8](-[C:9]):[c:10]:2>>[C:8](-[C:9])(-[C:10]-[Cl:12])=[O:11].[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:[c:6]:1-[N:7]	2	2232,2251
+[c:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:[s:7]:1>>[C:4](-[C:5])(-[C:6]-[Cl:8])=[O:9].[c:1]-[C:2](-[N:3])=[S:7]	2	2242,17239
+[c:1]-[c:2]:1:[n:3]:[c:4](-[C:5]-[C:6](=[O:9])-[O:10]):[c:7]:[o:8]:1>>[C:4](-[C:5]-[C:6](=[O:9])-[O:10])(-[C:7]-[Cl:12])=[O:11].[c:1]-[C:2](-[N:3])=[O:8]	2	2254,2255
+[C:1]-[C:2](-[C:3]-[O:4]-[C:5])=[O:6]>>[O:4]-[C:5].[C:1]-[C:2](-[C:3]-[Cl:7])=[O:6]	2	2256,12624
+[O:1]=[C:2](-[C:3]-[c:4]:1:[c:5]:[s:6]:[c:7](-[c:8]:2:[c:9]:[n:10]:[n:11]:[c:12]:2):[n:13]:1)-[O:14]>>[S:6]=[C:7](-[c:8]:1:[c:9]:[n:10]:[n:11]:[c:12]:1)-[N:13].[O:1]=[C:2](-[C:3]-[C:4](-[C:5]-[Cl:16])=[O:15])-[O:14]	2	2258,2261
+[O:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[c:7](-[C:8]):[c:9]:1>>[O:1]=[C:2](-[C:9]-[C:7](-[C:8])=[O:13])-[O:12]-[C:11]-[C:10].[N:3]-[C:4](-[C:5])=[N:6]	2	2262,5501
+[O:1]=[C:2]-1-[C:3]=[C:4](-[C:5])-[c:8](:[c:7]-[O:6]-1):[c:9]>>[O:1]=[C:2](-[C:3]-[C:4](-[C:5])=[O:13])-[O:12]-[C:11]-[C:10].[O:6]-[c:7]:[c:8]:[c:9]	2	2265,2267
+[O:1]=[C:2](-[O:3]-[C:4])-[C:5]-[C:6]=[O:7]>>[O:1]=[C:2](-[C:5]-[C:6]=[O:7])-[O:10]-[C:9]-[C:8].[O:3]-[C:4]	2	2271,3790
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]=[C:7]>>[C:1]-[C:2](=[O:3])-[Cl:8].[N:4]-[C:5]-[C:6]=[C:7]	2	2283,4761
+[C:1]-[N:5](-[C:2]-[C:3](-[N:4])=[O:9])-[C:6](=[O:7])-[C:8]>>[C:6](=[O:7])(-[C:8])-[Cl:10].[C:1]-[N:5]-[C:2]-[C:3](-[N:4])=[O:9]	2	2303,4027
+[O:1]=[C:2]-[O:7]-[C:5](=[N:4]-[c:3])-[C:6]>>[C:5](-[C:6])(=[O:8])-[Cl:9].[O:1]=[C:2]-[O:7].[c:3]-[N:4]	2	2370,29679
+[C:1]-[C:2](-[c:3]:1:[c:4]:[n:5]:[c:6](:[n:7]):[c:8]:1)=[O:10]>>[C:1]-[C:2](-[Cl:9])=[O:10].[c:3]:1:[c:4]:[n:5]:[c:6](:[n:7]):[c:8]:1	2	2394,2404
+[c:1]-[C:3](-[c:2])-[S:4]-[C:5]>>[S:4]-[C:5].[c:1]-[C:3](-[c:2])-[O:6]	2	2478,2479
+[N:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6](:[c:7]:[s:8]):[n:9])-[S:10]>>[C:5](-[c:6](:[c:7]:[s:8]):[n:9])=[O:11].[N:1]-[C:2](=[O:3])-[C:4]-[S:10]	2	2491,2492
+[C:1](=[O:2])(-[C:3]-[N:4]-[C:5](=[O:6])-[C:7])-[O:8]>>[C:5](-[O:6])(-[C:7])=[O:9].[C:1](=[O:2])(-[C:3]-[N:4])-[O:8]	2	2495,44071
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5](:[c:6]:[n:7]):[n:8]):[n:9]:[o:10]:1>>[C:1]-[C:2](=[O:11])-[O:16]-[C:13](=[O:12])-[C:14]-[Cl:15].[N:3]=[C:4](-[c:5](:[c:6]:[n:7]):[n:8])-[N:9]-[O:10]	2	2505,2506
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[N:6]-[c:7]>>[N:6]-[c:7].[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[Br:8]	2	2507,2792
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[n:6]:1:[c:7]:[c:8]:[c:9]:[c:11]:1:[c:10]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[Br:12].[n:6]:1:[c:7]:[c:8]:[c:9]:[c:11]:1:[c:10]	2	2513,21497
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5](-[C:6](=[O:7])-[N:8])-[c:9]>>[N:5](-[C:6](=[O:7])-[N:8])-[c:9].[N:1]-[C:2](=[O:3])-[C:4]-[Br:10]	2	2529,49269
+[c:1]:[c:2](-[O:3]-[C:4]-[C:5](=[O:6])-[O:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[O:9].[O:3]-[C:4]-[C:5](=[O:6])-[O:7]	2	2538,55053
+[C:1]-[c:2]:1:[c:3](-[C:4]-[C:5](-[O:6])=[O:11]):[n:7]:[c:8](-[c:9]):[o:10]:1>>[C:1]-[C:2](-[C:3](-[C:4]-[C:5](-[O:6])=[O:11])=[O:12])-[Br:13].[N:7]-[C:8](-[c:9])=[O:10]	2	2550,5544
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[c:7]:1>>[C:1]-[C:2](-[C:7]-[C:5]#[N:6])=[O:8].[N:3]-[N:4]	2	2571,12078
+[c:1](:[c:2](-[C:3](=[O:4])-[Cl:5]):[n:6]):[o:7]>>[Cl:5]-[C:11](-[C:9](=[O:8])-[Cl:10])=[O:12].[c:1](:[c:2](-[C:3](=[O:4])-[O:13]):[n:6]):[o:7]	2	2589,2699
+[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[Cl:6]>>[Cl:6]-[C:10](-[C:8](=[O:7])-[Cl:9])=[O:11].[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:12]	2	2619,2729
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6](=[O:7])-[Cl:8]>>[Cl:8]-[C:12](-[C:10](=[O:9])-[Cl:11])=[O:13].[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6](=[O:7])-[O:14]	2	2640,2665
+[n:1]:[c:2]:[c:3](-[C:4](=[O:6])-[Cl:7]):[n:5]>>[Cl:7]-[C:11](-[C:9](=[O:8])-[Cl:10])=[O:12].[n:1]:[c:2]:[c:3](-[C:4](=[O:6])-[O:13]):[n:5]	2	2641,2647
+[c:1]:[c:2]:[n:3]:[c:4](-[Cl:5]):[c:6]>>[Cl:5]-[C:10](-[C:8](=[O:7])-[Cl:9])=[O:11].[c:1]:[c:2]:[n:3]:[c:4](:[c:6])-[O:12]	2	2652,2653
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5](=[O:6])-[c:7](:[c:8]-1):[c:9]>>[C:3](=[O:4])(-[C:5](=[O:6])-[Cl:11])-[Cl:10].[C:1]-[N:2]-[c:8]:[c:7]:[c:9]	2	2659,2664
+[c:1](:[c:2]-[C:3](=[O:4])-[Cl:6]):[s:5]>>[Cl:6]-[C:10](-[C:8](=[O:7])-[Cl:9])=[O:11].[c:1](:[c:2]-[C:3](=[O:4])-[O:12]):[s:5]	2	2674,2681
+[N:1]-1-[C:2](=[O:3])-[C:4](=[C:5]-[S:6]-1)-[Cl:7]>>[Cl:7]-[C:11](-[C:9](=[O:8])-[Cl:10])=[O:12].[N:1]-1-[C:2](=[O:3])-[C:4](=[C:5]-[S:6]-1)-[O:13]	2	2677,2716
+[O:1]=[C:2](-[C:3](-[C:6]=[C:4]-[c:5])=[O:8])-[O:7]>>[O:1]=[C:2](-[C:3](-[C:6])=[O:8])-[O:7].[C:4](-[c:5])=[O:9]	2	2774,2775
+[o:1]:[c:2]:[c:3]-[C:4]-1=[C:5](-[c:6]:[c:7]:[n:8])-[C:9](=[O:10])-[N:11]-[C:12]-1=[O:13]>>[C:5](-[c:6]:[c:7]:[n:8])(-[C:9](=[O:10])-[O:15]-[C:14])=[O:16].[o:1]:[c:2]:[c:3]-[C:4]-[C:12](-[N:11])=[O:13]	2	2781,32432
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:12])-[C:6](-[c:7])-[C:8]-[C:9](=[O:10])-[N:11]-1>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:12])=[O:20].[C:6](-[c:7])=[O:21].[N:11].[C:8]-1-[C:9](=[O:10])-[O:19]-[C:14](-[C:13])(-[C:15])-[O:16]-[C:17]-1=[O:18]	2	2785,2787
+[C:1]-[C:2](-[C:3](=[O:4])-[O:9])-[N:8](-[C:5](-[C:6])=[O:10])-[c:7]>>[C:1]-[C:2](-[C:3](=[O:4])-[O:9])-[Br:11].[C:5](-[C:6])(-[N:8]-[c:7])=[O:10]	2	2794,2798
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5]=[O:6])-[Cl:7]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5]=[O:6].[Cl:7]-[S:9](=[O:8])(=[O:10])-[Cl:11]	2	2819,45439
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[O:8])-[C:6]=[O:7]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:6]=[O:7].[C:5](-[O:8])(-[O:13]-[C:12]-[C:11])-[O:14]-[C:9]-[C:10]	2	2827,31067
+[c:1](:[n:2]):[c:3]-[C:4]-[N:5]=[N+:7]=[N-:6]>>[c:1](:[n:2]):[c:3]-[C:4]-[Cl:8].[N-:5]=[N+:7]=[N-:6]	2	2844,47914
+[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[c:7]:2:[c:8]-1:[n:9]:[c:10]:[n:11]:2>>[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[C:7](=[C:8]-1-[N:9])-[N:13].[C:10](-[N:11])=[N:12]	2	2854,41751
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5](:[c:6]):[n:7]):[c:8]:[s:9]:1>>[C:1]-[C:2](-[N:3])=[S:9].[C:4](-[c:5](:[c:6]):[n:7])(-[C:8]-[Br:11])=[O:10]	2	2861,3694
+[C:1]-[N:2](-[C:3](-[C:4])-[c:5])-[C:6]>>[C:3](-[C:4])(-[c:5])-[O:7].[C:1]-[N:2]-[C:6]	2	2862,14674
+[C:1]-[C:2]-1=[N:3]-[O:4]-[C:5](=[O:6])-[N:7]-1>>[C:1]-[C:2](-[N:3]-[O:4])=[N:7].[C:5](=[O:6])(-[n:10]:1:[c:9]:[c:8]:[n:17]:[c:16]:1)-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	2	2901,23767
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[c:6](:[c:7]:[n:8]):[c:10]-1:[n:9]>>[C:1]-[N:2]-[c:10](:[c:6](-[N:5]):[c:7]:[n:8]):[n:9].[C:3](=[O:4])(-[n:13]:1:[c:12]:[c:11]:[n:20]:[c:19]:1)-[n:14]:2:[c:15]:[c:16]:[n:17]:[c:18]:2	2	2910,6984
+[c:1]:[c:8]:[n:7]:[c:3](:[c:2])-[c:4](:[c:5]):[c:6]>>[c:1]:[c:8]:[n:7]:[c:3](:[c:2])-[I:9].[c:4](:[c:5])(:[c:6])-[B:11](-[O:10])-[O:12]	2	2911,46713
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:11]:[c:10](:[n:5]:1)-[N:6]-[c:7]:[c:9]:[n:8]>>[c:1]:[c:4]:1:[c:3](:[c:2]):[n:11]:[c:10](:[n:5]:1)-[Cl:12].[N:6]-[c:7]:[c:9]:[n:8]	2	2915,2917
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5](-[C:6])-[C:7])-[c:8]>>[C:1]-[C:2](=[O:3])-[N:4]-[c:8].[C:5](-[C:6])(-[C:7])-[I:9]	2	2939,26925
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2](-[C:3]-[c:4](:[c:5]):[c:7](:[c:6])-[N+:8](=[O:10])-[O-:11])=[O:9]	2	2946,50901
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[c:6](-[C:7]#[N:8]):[c:9](-[O:10]):[n:11]:1>>[C:1]-[C:2](-[C:3]-[C:4](-[C:5])=[O:13])=[O:12].[C:6](-[C:7]#[N:8])-[C:9](=[O:10])-[N:11]	2	2948,10586
+[C:1]-[C:2]-1(-[C:3])-[N:4]-[C:5](=[O:6])-[c:7](:[c:8]-[N:10]-1):[s:9]>>[C:1]-[C:2](-[C:3])=[O:11].[N:4]-[C:5](=[O:6])-[c:7](:[c:8]-[N:10]):[s:9]	2	2951,22530
+[c:1]:[c:2]:1-[C:3](-[C:4](-[C:5])-[C:6]-[c:7]:1:[c:8])=[O:9]>>[c:1]:[c:2]:[c:7]:[c:8].[C:3](-[C:4](-[C:5])(-[C:6])-[Br:11])(=[O:9])-[Br:10]	2	2965,17173
+[C:1]=[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]=[C:2]-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[c:3](:[c:4])(:[c:5])-[O:7]-[S:26](=[O:6])(-[C:8](-[F:9])(-[F:10])-[F:11])=[O:25]	2	2977,2978
+[N:1]-[C:2](=[O:3])-[C:4]-[O:5]-[C:6](=[O:7])-[C:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[Cl:9].[O:5]-[C:6](=[O:7])-[C:8]	2	3014,31913
+[C:1](=[O:2])-[C:3]-[C:4](-[C:5](=[O:6])-[O:7])-[O:8]>>[C:1](=[O:2])-[C:3]=[C:4](-[C:5](=[O:6])-[O:7])-[O:8]	2	3016,3291
+[C:1]-[C:2](-[N:3])=[O:4]>>[N:3](-[C:6]-[C:5])(-[C:7]-[C:8])-[C:9]-[C:10].[C:1]-[C:2](=[O:4])-[O:11]	2	3038,3042
+[c:1]:[c:2](-[C:3]=[O:5]):[n:4]>>[c:1]:[c:2](-[C:3](-[O:5])-[C:7]-[O:6]):[n:4]	2	3083,23797
+[C:1]=[C:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[Cl:18].[C:1]=[C:2]-[B:16]-1-[O:15]-[B:12](-[O:11]-[B:10](-[C:9]=[C:8])-[O:17]-1)-[C:13]=[C:14]	2	3087,21385
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[O:8]-[C:7].[C:1]-[N:2]-[C:3]	2	3097,14911
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]-[S:6]>>[C:1]-[N:2]-[C:3].[C:4]=[C:5]-[S:6]	2	3104,14582
+[C:1]-[N:2](-[C:3])-[C:4](-[C:5])-[C:6]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(-[C:6])-[Cl:7]	2	3138,4781
+[O:1]-[B:2]-[O:3]>>[O:1](-[B:2]-[O:3])-[C:4]-[C:5]	2	3154,30520
+[c:1]:[c:2]:1-[C:3](-[O:4])=[C:5](-[C:6](=[O:7])-[O:12])-[C:8](=[O:9])-[C:10]-[c:11]:1>>[c:1]:[c:2]:[c:11]-[C:10]-[C:8](-[C:5](-[C:3](=[O:4])-[O:15]-[C:14]-[C:13])-[C:6](=[O:7])-[O:12])=[O:9]	2	3158,10141
+[c:1]:1-[O:2]-[C:3](=[O:4])-[C:5](-[C:6](=[O:7])-[O:8])=[C:9]-[c:10]:1>>[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[O:8])-[O:13]-[C:12]-[C:11].[c:1](-[O:2]):[c:10]-[C:9]=[O:14]	2	3172,3173
+[C:1](=[O:2])(-[C:3](=[C:4](-[O:5])-[c:6])-[C:8](-[N:7])=[O:9])-[O:10]>>[C:1](=[O:2])(-[C:3]-[C:14](-[O:13]-[C:12]-[C:11])=[O:15])-[O:10].[C:4](=[O:5])(-[c:6])-[O:16]-[C:8](-[N:7])=[O:9]	2	3177,3199
+[C:1](-[C:2](=[O:3])-[O:9])(-[c:4](:[c:5]):[n:8]:[c:7]:[c:6])-[C:11](-[O:10])=[O:12]>>[C:1](-[C:2](=[O:3])-[O:9])-[C:11](-[O:10])=[O:12].[c:4](:[c:5])(:[n:8]:[c:7]:[c:6])-[Cl:13]	2	3181,3188
+[C:1](=[O:2])(-[C:3](-[C:4](=[O:5])-[O:10])-[C:7](-[C:6])=[O:8])-[O:9]>>[C:1](=[O:2])(-[C:3]-[C:4](=[O:5])-[O:10])-[O:9].[C:6]-[C:7](=[O:8])-[O:11]	2	3194,22565
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[c:9](:[c:8]):[n:10]:2)-[O:11]>>[C:1](-[c:6]:1:[c:5](-[N:4]):[n:10]:[c:9](:[c:7]:1):[c:8])(=[O:11])-[O:14]-[C:13]-[C:12].[N:2]-[C:3]=[O:15]	2	3222,44596
+[c:1]-[C:2]-1-[C:3]-[C:4]-1>>[C:3]=[N+:6]=[N-:5].[c:1]-[C:2]=[C:4]	2	3224,16774
+[C:1]-[C:2](=[C:3](-[C:4]-[N:5](-[C:6])-[C:7]-[C:8](=[O:9])-[O:10])-[N:11])-[C:12]>>[C:1]-[C:2](=[C:3](-[C:4]-[Br:13])-[N:11])-[C:12].[N:5](-[C:6])-[C:7]-[C:8](=[O:9])-[O:10]	2	3284,3285
+[C:1]-[C:2](-[N:3]-1-[C:4](=[O:5])-[C:6]=[C:7]-[N:8]-[C:9]-1=[O:10])-[c:11]>>[N:3]-1-[C:4](=[O:5])-[C:6]=[C:7]-[N:8]-[C:9]-1=[O:10].[C:1]-[C:2](-[c:11])-[O:12]	2	3288,10352
+[C:1](-[C:2]-1=[C:3](-[O:4])-[C:5](-[c:6](:[c:7]):[s:8])=[N:9]-[N:10](-[C:11]-[C:12])-[C:13]-1=[O:14])(-[O:15])=[O:16]>>[C:1](-[c:2]:1:[c:3](-[O:4]):[c:5](-[c:6](:[c:7]):[s:8]):[n:9]:[n:10]:[c:13]:1-[O:14])(-[O:15])=[O:16].[C:11](-[C:12])-[Br:17]	2	3323,3324
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[c:8](:[c:9]):[c:10]>>[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[Cl:11].[c:8](:[c:9])(:[c:10])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	2	3340,3349
+[c:1]-1:[c:2](-[N:3]=[c:4](:[c:5]):[n:8](:[c:7]:[c:6])-[C:9]-1=[O:10]):[s:11]>>[c:1](:[c:2](-[N:3]):[s:11])-[C:9](=[O:10])-[O:12]-[C:15]-[C:14].[c:4](:[c:5])(:[n:8]:[c:7]:[c:6])-[Cl:13]	2	3365,27667
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[c:7](:[c:8]):[c:9]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1.[c:7](:[c:8])(:[c:9])-[Br:10]	2	3373,54706
+[c:1](:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]:[n:7]):[c:8]:[n:9]>>[c:1](:[c:2](:[c:6]:[n:7])-[Br:10]):[c:8]:[n:9].[N:3](-[C:4])-[C:5]	2	3380,19664
+[c:1](:[c:2](-[Cl:3]):[c:4]):[c:5]:[n:6]>>[c:1](:[c:2]:[c:4]):[c:5]:[n:6].[Cl:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	2	3381,44344
+[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1-[C:7]-[O:8]>>[C:7](-[O:8])-[Cl:9].[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1	2	3387,33919
+[n:1]:[c:4]:1:[c:3](:[n:2]):[c:8](:[n:7]:[c:6]:[c:5]:1)-[N:9]-[c:10]>>[n:1]:[c:4]:1:[c:3](:[n:2]):[c:8](:[n:7]:[c:6]:[c:5]:1)-[Cl:11].[N:9]-[c:10]	2	3403,3404
+[c:1](:[c:2](:[c:3]:[n:4])-[Br:7]):[c:5]:[n:6]>>[c:1](:[c:2]:[c:3]:[n:4]):[c:5]:[n:6].[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	2	3408,8302
+[c:1]:[c:2](-[I:3]):[c:4]:[c:5]:[n:6]>>[c:1]:[c:2](:[c:4]:[c:5]:[n:6])-[N:7].[I:3]	2	3410,40436
+[C:1]-[C:2](-[N:3])=[S:4]>>[C:1]-[C:2]#[N:3].[S:4]=[P:8](-[O:7]-[C:6]-[C:5])(-[O:9])-[S:10]-[C:11]-[C:12]	2	3423,7499
+[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n:7]:[c:8]:1-[N:9]):[n:10]>>[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5](:[c:6]):[n:7]:[c:8]:1-[Cl:11]):[n:10].[N:9]	2	3461,40892
+[N:1]-1-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:12])=[C:7](-[O:8])-[c:9](:[n:10]):[c:11]-1>>[N:1](-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:12])-[c:11]:[c:9](-[C:7](=[O:8])-[O:15]-[C:14]-[C:13]):[n:10]	2	3466,50089
+[O:1]-[N:2]-[c:8]:1:[c:3]:[c:4]:[n:5]:[c:6]:[n:7]:1>>[O:1]-[N:2].[c:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:[c:8]:1-[Cl:9]	2	3469,24819
+[c:1]:1:[c:2]:[s:3]:[c:4](-[c:5]:2:[c:6]:[c:7]:[c:8]:[s:9]:2):[c:10]:1>>[c:1]:1:[c:2]:[s:3]:[c:4](:[c:10]:1)-[I:16].[c:5]:1(:[c:6]:[c:7]:[c:8]:[s:9]:1)-[Sn:21](-[C:12]-[C:13]-[C:14]-[C:15])(-[C:20]-[C:19]-[C:18]-[C:17])-[C:22]-[C:23]-[C:24]-[C:11]	2	3477,29934
+[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[O:7])-[c:6]>>[C:3](-[C:4](=[O:5])-[O:7])-[P:11](-[O:10]-[C:9]-[C:8])(=[O:12])-[O:13]-[C:14]-[C:15].[C:1]-[C:2](-[c:6])=[O:16]	2	3487,3503
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]=[C:7]-[C:8](=[O:9])-[O:10]>>[C:7](-[C:8](=[O:9])-[O:10])-[P:14](-[O:13]-[C:12]-[C:11])(=[O:15])-[O:16]-[C:17]-[C:18].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]=[O:19]	2	3491,3492
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]:[c:7]:[n:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[P:12](-[O:11]-[C:10]-[C:9])(=[O:13])-[O:14]-[C:15]-[C:16].[C:5](-[c:6]:[c:7]:[n:8])=[O:17]	2	3498,3502
+[c:1]-[C:2]=[C:3]-[C:4]>>[c:1]-[C:2]-[P:8](-[O:7]-[C:6]-[C:5])(=[O:9])-[O:10]-[C:11]-[C:12].[C:3](-[C:4])=[O:13]	2	3511,22601
+[O:1]-[C:2]-1-[C:3]-[C:4]-1>>[C:4]-[C:8]-[Zn:7]-[C:6]-[C:5].[O:1]-[C:2]=[C:3]	2	3520,3522
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:9]-[C:7](-[N:6])=[O:8]>>[N:4](-[C:5])-[C:9]-[C:7](-[N:6])=[O:8].[c:1]-[C:2](=[O:3])-[O:10]	2	3529,13080
+[c:1]:1:[c:2](:[c:3]):[n:4](-[C:5]-[C:6]-[c:7]:[c:9]:[n:8]):[c:10]:[c:11]:1>>[c:1]:1:[c:2](:[c:3]):[n:4]:[c:10]:[c:11]:1.[C:5]=[C:6]-[c:7]:[c:9]:[n:8]	2	3541,14651
+[N:1]-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[N:7]-[C:8]>>[N:1]-[C:2](=[S:3])-[N:4].[N:7]-[C:8].[C:5](=[O:6])(-[C:9])-[O:10]	2	3545,6160
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[C:1]-[N:2].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:12]-[C:14](-[C:10])(-[C:11])-[C:13]	2	3560,4408
+[C:1](-[C:2]-[N:3]-[c:4]:1:[c:5](:[n:6]):[c:8](:[n:7]):[n:9]:[c:10]:[n:11]:1)=[C:12]>>[C:1](-[C:2]-[N:3])=[C:12].[c:4]:1(:[c:5](:[n:6]):[c:8](:[n:7]):[n:9]:[c:10]:[n:11]:1)-[Br:13]	2	3581,29756
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5])-[C:7](-[C:6])=[O:8]>>[C:1]=[C:2]-[C:3]-[Br:9].[N:4](-[C:5])-[C:7](-[C:6])=[O:8]	2	3592,3605
+[C:1]=[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]=[C:2]-[C:3]-[Br:7].[c:4](:[c:5])(:[c:6])-[Br:8]	2	3639,3646
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5](-[C:6])=[O:7]):[n:8]>>[c:1]:[c:2](-[N:3]-[C:5](-[C:6])=[O:7]):[n:8].[C:4]-[I:9]	2	3669,18512
+[C:1](-[C:2]-[N:3]=[N+:6]=[N-:5])=[O:4]>>[C:1](-[C:2]-[Br:7])=[O:4].[N-:3]=[N+:6]=[N-:5]	2	3691,48043
+[O:1]=[C:2](-[O:3])-[C:4]-1(-[c:5])-[C:6]-[C:7]-1>>[C:6](-[C:7]-[Br:11])-[Cl:10].[O:1]-[C:8]-[C:9]-[O:3].[C:2](-[C:4]-[c:5])#[N:12]	2	3726,3727
+[c:1]-[S:2](=[O:3])(=[O:4])-[C:5]-[C:6]>>[C:5](-[C:6])-[Br:7].[c:1]-[S:2](=[O:3])-[O:4]	2	3759,10783
+[O:1](-[C:2])-[C:4](-[O:3])-[C:5]>>[O:1]-[C:2].[O:3]-[C:4]=[C:5]	2	3792,9176
+[c:1]:[c:2]:1:[n:3]:[c:4](-[N:5]):[c:6](-[C:7]#[N:8]):[c:9](:[c:10]:1:[c:11])-[O:12]>>[N:5]#[C:17]-[C:16]-[C:6](-[C:7]#[N:8])-[O:15].[c:1]:[c:2]:1-[N:3]-[C:4](=[O:13])-[O:14]-[C:9](-[c:10]:1:[c:11])=[O:12]	2	3813,3814
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](-[O:7])(-[c:8])=[O:9]	2	3818,46813
+[C:1](=[O:2])(-[C:3])-[O:4]>>[C:1](-[O:2])-[C:3].[O:4]	2	3833,43006
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[c:7]:1-[C:8]>>[C:1]-[C:2](-[C:7](-[C:5](-[C:6])=[O:10])-[C:8])=[O:9].[N:3]-[N:4]	2	3836,18667
+[C:1]-[S:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[S:2]-[Sn:16](-[C:7]-[C:8]-[C:9]-[C:10])(-[C:15]-[C:14]-[C:13]-[C:12])-[C:17]-[C:18]-[C:19]-[C:6].[c:3](:[c:4])(:[c:5])-[I:11]	2	3847,29916
+[n:1]:[c:2]:[c:3]-[N:4]-[c:5](:[c:6]):[c:8]:[n:7]>>[n:1]:[c:2]:[c:3]-[N:4].[c:5](:[c:6])(:[c:8]:[n:7])-[Br:9]	2	3866,39935
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N+:4](-[c:5])(-[O-:6])=[O:11].[C:1]-[C:2](=[O:3])-[O:10]-[C:8](-[C:7])=[O:9]	2	3879,16952
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[n:8]:[c:7]:[c:6]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[n:8]:[c:7]:[c:6])-[I:9]	2	3906,17264
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2]#[N:3].[N-:4]=[N+:5]=[N:6]-[Si:8](-[C:7])(-[C:9])-[C:10]	2	3909,7320
+[C:1]-[C:2](-[O:3])-[C:4]=[O:5]>>[C:1]-[C:2](-[C:4]=[O:5])-[Br:6].[O:3]-[C:7]	2	3934,32997
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]=[C:7]):[n:8]:1>>[C:1]-[C:2](-[N:3]-[O:4])=[N:8].[C:5](-[C:6]=[C:7])(=[O:9])-[O:10]	2	3945,6275
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[n:7]):[c:8]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6](:[n:7]):[c:8])-[O:11]-[C:10]-[C:9]	2	3959,19470
+[C:1]=[C:2](-[c:3](:[c:4]):[c:5])-[O:6]>>[C:1]=[C:2](-[O:6])-[Sn:17](-[C:8]-[C:9]-[C:10]-[C:11])(-[C:16]-[C:15]-[C:14]-[C:13])-[C:18]-[C:19]-[C:20]-[C:7].[c:3](:[c:4])(:[c:5])-[Br:12]	2	3970,3979
+[C:1]=[C:2](-[O:3])-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[C:1]=[C:2](-[O:3])-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:9]	2	3971,3978
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]:[n:6]):[c:7]>>[C:1]=[C:2](-[O:3]-[C:22]-[C:23])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:4](:[c:5]:[n:6])(:[c:7])-[Br:8]	2	3975,3983
+[C:1](-[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6]:[c:7]:1)(-[O:8])=[C:17]>>[C:1](-[O:8])(=[C:17])-[Sn:22](-[C:12]-[C:13]-[C:14]-[C:15])(-[C:21]-[C:20]-[C:19]-[C:18])-[C:23]-[C:9]-[C:10]-[C:11].[c:2]:1(:[n:3]:[c:4]:[n:5]:[c:6]:[c:7]:1)-[Cl:16]	2	3976,3986
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[N+:4](=[N-:5])=[N:6]-[Sn:11](-[C:10]-[C:9]-[C:8]-[C:7])(-[C:12]-[C:13]-[C:14]-[C:15])-[C:16]-[C:17]-[C:18]-[C:19].[C:1]-[C:2]#[N:3]	2	3993,3997
+[C:1]-[N:5](-[C:3](-[C:2])=[O:4])-[C:6](=[O:7])-[c:8]>>[C:1]-[N:5]-[C:3](-[C:2])=[O:4].[C:6](=[O:7])(-[c:8])-[Cl:9]	2	4033,44453
+[C:1]-[C:2]-[N:3]-[c:4]>>[C:1]-[C:2]-[I:5].[N:3]-[c:4]	2	4041,17254
+[n:1]:[c:4]:[c:3](:[n:2])-[N:8](-[C:6](-[N:5])=[O:7])-[C:9]-[C:10]>>[C:9](-[C:10])-[I:11].[n:1]:[c:4]:[c:3](:[n:2])-[N:8]-[C:6](-[N:5])=[O:7]	2	4042,29887
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1>>[C:1]-[N:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[n:8]:1)-[O:16]-[S:13](-[c:12]:2:[c:10](:[c:9]:[c:21](:[c:19]:[c:17]:2-[C:18])-[C:20])-[C:11])(=[O:14])=[O:15]	2	4049,4239
+[O:1]=[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6]:[o:7]:1>>[c:3]:1:[c:4]:[c:5]:[c:6]:[o:7]:1.[O:1]=[C:2]-[N:9](-[C:8])-[C:10]	2	4086,32138
+[C:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[C:1]-[C:2]-[O:20].[N:3](=[N+:5]=[N-:4])-[P:7](=[O:6])(-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2	2	4089,24668
+[C:1](=[O:2])(-[C:3])-[O:11]-[N:10]-1-[C:5](=[O:4])-[C:6]-[C:7]-[C:8]-1=[O:9]>>[C:1](=[O:2])(-[C:3])-[O:19].[O:4]=[C:5]-1-[C:6]-[C:7]-[C:8](=[O:9])-[N:10]-1-[O:11]-[C:15](-[N:13](-[C:12])-[C:14])=[N+:16](-[C:17])-[C:18]	2	4142,18252
+[C:1]-[S:2]-[C:3]>>[S:2]-[C:3].[C:1]-[I:4]	2	4149,17491
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:1]-[N:2].[C:3](-[O:4])(-[c:5])=[O:6]	2	4164,20537
+[n:1]:1:[n:2]:[c:3]:2:[c:4]:[n:5]:[c:6]-3:[c:7](-[C:8]-[C:9]-[C:10]-[C:11]-3):[c:12]:2:[c:13]:1>>[n:1]:1:[n:2]:[c:3]:2:[c:4]:[n:5]:[c:6]:3:[c:7](:[c:8]:[c:9]:[c:10]:[c:11]:3):[c:12]:2:[c:13]:1	2	4201,31342
+[c:1]:[c:2](-[C:3]-[C:4]=[C:7]):[c:5]:[n:6]>>[C:3](-[C:4]=[C:7])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:1]:[c:2](:[c:5]:[n:6])-[Br:8]	2	4279,4280
+[c:1]:[c:3](:[c:2])-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:[c:9]:1>>[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:[c:9]:1)-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22].[c:1]:[c:3](:[c:2])-[I:23]	2	4286,4287
+[O:1]=[C:2](-[c:3]:1:[n:4]:[o:5]:[c:6](-[C:7]):[c:8]:1)-[O:9]>>[O:1]=[C:2](-[C:3](-[C:8]-[C:6](-[C:7])=[O:11])=[O:10])-[O:9].[N:4]-[O:5]	2	4289,26428
+[N:1](-[C:2])-[C:3]-[c:4](:[n:5]):[n:6]>>[C:3](-[c:4](:[n:5]):[n:6])-[Cl:7].[N:1]-[C:2]	2	4318,25154
+[c:1]:[c:2](-[O:3]-[C:4]):[c:5](:[c:6]:[n:7]):[c:9]:[n:8]>>[O:3]-[C:4].[c:1]:[c:2](:[c:5](:[c:6]:[n:7]):[c:9]:[n:8])-[O:10]	2	4351,18588
+[n:1]:[n:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:7]:1-[N:8]-[C:9]>>[N:8]-[C:9].[n:1]:[n:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:7]:1-[Cl:10]	2	4409,13643
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5](-[C:6])=[C:7](-[C:8])-[C:9]-1=[O:10]>>[C:3]-1(=[O:4])-[C:5](-[C:6])=[C:7](-[C:8])-[C:9](=[O:10])-[O:11]-1.[C:1]-[N:2]	2	4411,6865
+[C:1]-[C:2](=[N:3])-[N:7](-[C:5](-[c:4])=[O:6])-[C:8]>>[C:1]-[C:2](=[N:3])-[O:9]-[C:5](-[c:4])=[O:6].[N:7]-[C:8]	2	4420,41855
+[C:1]-[N:2]-1-[C:3]=[N:4]-[c:5](:[c:6]-[C:7]-1=[O:8]):[s:9]>>[C:1]-[N:2].[C:3](=[N:4]-[c:5](:[c:6]-[C:7](=[O:8])-[O:12]-[C:11]-[C:10]):[s:9])-[O:13]-[C:14]-[C:15]	2	4427,5911
+[c:1]:[c:2](-[N:3]-[C:4]):[c:5]>>[N:3]-[C:4].[c:1]:[c:2](:[c:5])-[I:6]	2	4467,11943
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]-[C:7]=[C:8]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6]-[C:7]=[C:8])-[O:9]	2	4513,13799
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[C:1]-[N:2]-[C:3].[C:4]=[C:5]-[C:6](=[O:7])-[O:8]	2	4517,18084
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6](=[C:7])-[C:8]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6](=[C:7])-[C:8])-[O:9]	2	4518,5035
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6](-[C:7](=[O:8])-[N:9]-[c:10])-[C:11])-[C:12]>>[C:3]-1(=[O:4])-[C:5](=[C:6](-[C:7](=[O:8])-[N:9]-1-[c:10])-[C:11])-[C:12].[C:1]-[N:2]	2	4574,12231
+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[F:9]	2	4583,37063
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]):[c:8]>>[C:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[O:9])-[Cl:10].[c:6](:[c:7]):[c:8]	2	4584,30164
+[n:1]:[c:6](:[c:2])-[C:5]=[C:3]-[c:4]>>[n:1]:[c:6](:[c:2])-[C:5]=[O:20].[C:3](-[c:4])-[P+:25](-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)(-[c:24]:2:[c:18]:[c:19]:[c:21]:[c:22]:[c:23]:2)-[c:26]:3:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:3	2	4638,23002
+[c:1]:[c:2](:[n:3])-[S:5](-[C:4])(=[O:6])=[O:7]>>[c:1]:[c:2](:[n:3])-[S:5]-[C:4].[O:6]=[C:14](-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:9](-[Cl:8]):[c:16]:1)-[O:15]-[O:7]	2	4655,36682
+[n:1]:[c:2]:[c:3](-[S:4]-[C:5]):[c:6]>>[S:4]-[C:5].[n:1]:[c:2]:[c:3](:[c:6])-[Br:7]	2	4673,5336
+[c:1]:[c:3](:[n:2])-[C:4]-[S:5]-[C:6]>>[S:5]-[C:6].[c:1]:[c:3](:[n:2])-[C:4]-[Cl:7]	2	4677,47467
+[C:1]-[Sn:2](-[C:3])(-[C:4])-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]>>[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Br:10].[C:1]-[Sn:2](-[C:3])(-[C:4])-[Cl:11]	2	4702,4706
+[C:1]-[S:2]-[Sn:5](-[C:3])(-[C:4])-[C:6]>>[C:3]-[Sn:5](-[C:4])(-[C:6])-[Cl:7].[C:1]-[S:2]	2	4707,4710
+[c:1](:[n:2]:[c:3](-[c:4]:1:[c:5]:[n:6]:[c:7]:[o:8]:1):[c:9]):[c:10]>>[c:4]:1(:[c:5]:[n:6]:[c:7]:[o:8]:1)-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[c:1](:[n:2]:[c:3](:[c:9])-[Br:11]):[c:10]	2	4717,4718
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])#[N:4].[O:3]=[P:6]-[O:5]	2	4726,44278
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]):[s:6]>>[c:1]:[c:2](-[C:3]=[O:4]):[s:6].[O:5]	2	4753,43014
+[c:1]-[C:2](-[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)=[O:9]>>[c:1]-[C:2](=[O:9])-[Cl:10].[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1	2	4770,42524
+[C:1](-[c:2])(-[N:3]-[c:4]:[c:5]:[s:6])=[O:7]>>[C:1](-[c:2])(=[O:7])-[Cl:8].[N:3]-[c:4]:[c:5]:[s:6]	2	4776,42752
+[N:1]-[C:2](=[O:3])-[c:4]:[c:6]:[n:5]>>[C:2](=[O:3])(-[c:4]:[c:6]:[n:5])-[Cl:7].[N:1]	2	4785,38926
+[c:1]:1:[c:2]:2:[c:3](:[n:4]:[c:5]:[c:6]:1):[s:7]:[c:8](:[c:9]:2-[N:10])-[C:12](-[N:11])=[O:13]>>[c:1]:1:[c:2](:[c:3](:[n:4]:[c:5]:[c:6]:1)-[S:7])-[C:9]#[N:10].[C:8](-[C:12](-[N:11])=[O:13])-[Cl:14]	2	4797,39648
+[O:1]=[C:2](-[C:3]-[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[n:8])-[N:10]>>[O:1]=[C:2](-[C:3]-[Cl:11])-[N:10].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[n:8]	2	4800,12907
+[N:1](-[C:2]-[c:3](:[c:4]):[c:5])-[C:7](=[O:6])-[C:8]>>[N:1](-[C:2]-[O:9])-[C:7](=[O:6])-[C:8].[c:3](:[c:4]):[c:5]	2	4804,37549
+[C:1]-[C:2](-[O:3])-[c:4](:[n:5]):[c:7]:[n:6]>>[C:1]-[C:2](=[O:3])-[c:4](:[n:5]):[c:7]:[n:6]	2	4817,24304
+[C:1](=[O:2])-[N:3](-[C:4]-[C:5])-[C:6]>>[C:4](-[C:5])-[Br:7].[C:1](=[O:2])-[N:3]-[C:6]	2	4841,10774
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1>>[C:1]-[C:2]-[Cl:8].[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1	2	4889,53731
+[N:1]-1-[C:2]-[C:3]-[N:4](-[c:5]:[c:7]:[n:6])-[C:8]-1=[O:9]>>[N:1](-[C:2]-[C:3]-[Cl:10])-[C:8](-[N:4]-[c:5]:[c:7]:[n:6])=[O:9]	2	4890,49722
+[S:1]-[C:2]-[O:3]-[c:4]>>[S:1]-[C:2]-[Cl:5].[O:3]-[c:4]	2	4892,4893
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5]-[c:6]:[c:8]:[n:7])-[C:9]>>[C:5](-[c:6]:[c:8]:[n:7])-[Cl:10].[C:1]-[C:2](=[O:3])-[N:4]-[C:9]	2	4898,16315
+[C:1]-[N:2](-[C:3]-[c:4]:[c:6]:[n:5])-[C:7]>>[C:3](-[c:4]:[c:6]:[n:5])-[Cl:8].[C:1]-[N:2]-[C:7]	2	4899,4902
+[c:1]:[c:3](:[n:2])-[S:4]-[C:5]-[c:6]>>[C:5](-[c:6])-[Cl:7].[c:1]:[c:3](:[n:2])-[S:4]	2	4901,49701
+[C:1](=[O:2])(-[C:3]-[N:4]-[C:5](-[C:6])=[O:7])-[O:8]>>[C:5](-[C:6])(=[O:7])-[O:9]-[C:11](-[C:10])=[O:12].[C:1](=[O:2])(-[C:3]-[N:4])-[O:8]	2	4939,17036
+[N:1]-[c:2]:1:[n:3]:[c:4](-[C:5](=[C:6])-[C:8](-[O:7])=[O:9]):[c:10]:[s:11]:1>>[N:1]-[C:2](-[N:3])=[S:11].[C:4](-[C:5](=[C:6])-[C:8](-[O:7])=[O:9])(-[C:10]-[Br:13])=[O:12]	2	4948,32405
+[C:1](=[C:2]-[N+:3])(-[N:4]-[C:5])-[S:6]>>[N:4]-[C:5].[C:1](=[C:2]-[N+:3])(-[S:6])-[S:8]-[C:7]	2	4975,26264
+[N:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[S:7](=[O:8])(=[O:9])-[c:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:6]-[C:5].[S:7](=[O:8])(=[O:9])(-[c:10])-[Cl:11]	2	5017,20629
+[c:1]:1:[c:2]:[s:3]:[c:4](-[c:5]:2:[n:6]:[n:7]:[c:8]:[c:9]:2):[n:10]:1>>[c:1]:1:[c:2]:[s:3]:[c:4](:[n:10]:1)-[Br:11].[c:5]:1(:[n:6]:[n:7]:[c:8]:[c:9]:1)-[B:13](-[O:12])-[O:14]	2	5018,30837
+[C:1]-[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]-[C:2](-[C:3](=[O:4])-[O:5])-[C:7](=[O:6])-[O:8]	2	5067,16089
+[n:1]:[c:6]:[c:5]:[c:3](:[c:2])-[O:4]>>[n:1]:[c:6]:[c:5]:[c:3](:[c:2])-[N:7].[O:4]	2	5077,42942
+[N:1]-[C:2](=[O:3])-[C:4]-[O:5]-[C:6](=[O:7])-[O:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[O:5].[C:6](=[O:7])(-[O:8])-[Cl:9]	2	5096,55084
+[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:[c:6]:1-[O:7]-[C:8]-[C:9](=[O:10])-[O:11]):[n:12]>>[O:7]-[C:8]-[C:9](=[O:10])-[O:11].[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:13]):[n:12]	2	5105,5110
+[C:1]-[C:2]-[C:3]-[c:4]:[c:6]:[n:5]>>[C:1]-[C:2]#[C:3]-[c:4]:[c:6]:[n:5]	2	5197,19875
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[c:6]):[n:7]:1-[C:8]>>[N:7]-[C:8].[C:1]-[C:2](-[C:3]-[C:4]-[C:5](-[c:6])=[O:10])=[O:9]	2	5254,54271
+[c:1]:[c:2]:[n:3](-[C:4]-1=[C:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10])-[C:11]=[C:12]-1):[c:13]>>[C:9](-[C:10])-[I:14].[c:1]:[c:2]:[n:3](-[c:4]:1:[c:5]:[c:6](-[O:7]):[n:8]:[c:11]:[c:12]:1):[c:13]	2	5288,30040
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]-1=[C:7]-[N:8]-[N:9]-[C:10]-1=[O:11]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[C:6]-1=[C:7]-[N:8]-[N:9]-[C:10]-1=[O:11])-[Cl:12]	2	5298,9750
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6])-[O:9]-[C:8]-[C:7]	2	5308,32629
+[N:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:6]):[c:7]:[n:8]:[n:9]:1-[C:10]>>[N:1]#[C:2]-[C:3](-[C:4](=[O:5])-[O:6])=[C:7]-[O:13]-[C:12]-[C:11].[N:8]-[N:9]-[C:10]	2	5323,5889
+[C:1]-[n:2]:1:[n:3]:[c:4]:[c:5](:[c:6]:1-[C:7])-[C:9](-[C:8])=[O:10]>>[C:1]-[N:2]-[N:3].[C:4](=[C:5](-[C:6](-[C:7])=[O:14])-[C:9](-[C:8])=[O:10])-[N:12](-[C:11])-[C:13]	2	5325,31993
+[c:1](:[n:2]:[c:3](-[S:4]-[C:5]):[c:6]):[c:7]>>[S:4]-[C:5].[c:1](:[n:2]:[c:3](:[c:6])-[F:8]):[c:7]	2	5333,47456
+[c:1]:1:[n:2]:[c:3]:[c:4](-[S:5]-[C:6]):[n:7]:[c:8]:1:[c:9]>>[S:5]-[C:6].[c:1]:1:[n:2]:[c:3]:[c:4](:[n:7]:[c:8]:1:[c:9])-[Cl:10]	2	5335,15228
+[c:1]:1:[c:2]:2:[c:3]:[c:4](-[C:5]):[c:6]:[c:7](-[O:8]-[C:9]-[c:10]):[n:11]:2:[n:12]:[c:13]:1>>[C:9](-[c:10])-[O:14].[c:1]:1:[c:2]:2-[C:3]=[C:4](-[C:5])-[C:6]-[C:7](=[O:8])-[n:11]:2:[n:12]:[c:13]:1	2	5354,34741
+[C:1](=[O:2])(-[C:3]-1=[C:4](-[O:5])-[c:6]:2:[c:7]:[c:8]:[c:9]:[n:10]:2-[N:11]-[C:12]-1=[O:13])-[O:14]>>[C:1](=[O:2])(-[C:3](-[C:4](=[O:5])-[O:20]-[C:21]-[C:22])-[C:18](-[O:17]-[C:16]-[C:15])=[O:19])-[O:14].[c:6]:1:[c:7]:[c:8]:[c:9]:[n:10]:1-[N:11]-[C:12](=[O:13])-[O:27]-[C:24](-[C:23])(-[C:25])-[C:26]	2	5415,5416
+[O:1]=[C:2](-[O:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[O:1]=[C:2](-[O:3])-[C:4]-[C:5](=[O:6])-[Cl:9].[N:7]-[c:8]	2	5426,34809
+[c:1]-[N:2]-[N:3]=[C:4](-[C:5](=[O:6])-[N:7])-[C:8]#[N:9]>>[C:4](-[C:5](=[O:6])-[N:7])-[C:8]#[N:9].[N:3](-[O:10])=[O:11].[c:1]-[N:2]	2	5439,5440
+[N:1]-[C:2]>>[N:1](-[C:2])-[C:6](-[O:5]-[C:4]-[C:3])=[O:7]	2	5443,56227
+[N:1]-[C:2](=[O:3])-[C:4](-[Br:5])=[C:6]-[N:7]>>[N:1]-[C:2](=[O:3])-[C:4]=[C:6]-[N:7].[Br:5]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	2	5444,8090
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](-[C:6]):[c:8](:[n:9]:1)-[O:10])-[C:7]>>[C:4](-[C:5](-[C:6])-[C:8](=[O:10])-[O:13]-[C:12]-[C:11])(-[C:7])=[O:14].[C:1]-[C:2](-[N:3])=[N:9]	2	5463,41724
+[c:1]:1(:[n:2]:[c:3](-[N:4]):[n:5]:[c:6](:[c:7]:1-[C:8])-[C:9])-[O:10]>>[C:1](-[C:7](-[C:6](-[C:9])=[O:14])-[C:8])(=[O:10])-[O:13]-[C:12]-[C:11].[N:2]-[C:3](-[N:4])=[N:5]	2	5464,42020
+[O:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[c:7](:[c:8]:1-[C:9])-[C:10]>>[O:1]=[C:2](-[C:8](-[C:7](-[C:10])=[O:14])-[C:9])-[O:13]-[C:12]-[C:11].[N:3]-[C:4](-[C:5])=[N:6]	2	5465,41720
+[c:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:1:2>>[c:1]-[N:2]-[c:10]:1:[c:5](-[N:4]):[c:6]:[c:7]:[c:8]:[n:9]:1.[C:3](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19]	2	5468,31071
+[c:1]:1:[c:2]:[s:3]:[c:4]:2:[n:5]:[c:6](-[C:7]):[c:8](:[c:9](-[N:10]):[c:11]:1:2)-[C:13](=[O:12])-[O:14]>>[C:6](-[C:7])(-[C:8]-[C:13](=[O:12])-[O:14])=[O:15].[c:1]:1:[c:2]:[s:3]:[c:4](-[N:5]):[c:11]:1-[C:9]#[N:10]	2	5490,5509
+[C:1]-[c:2]:1:[c:3](-[C:4](-[O:5])=[O:10]):[c:6](-[c:7]):[n:8]:[o:9]:1>>[C:1]-[C:2](-[C:3]-[C:4](-[O:5])=[O:10])=[O:12].[C:6](-[c:7])(=[N:8]-[O:9])-[Cl:11]	2	5494,10587
+[C:1](-[C:2]-[C:3](=[O:4])-[N:5]-[c:6])(-[C:7])=[O:8]>>[C:1](-[C:2]-[C:3](=[O:4])-[O:11]-[C:10]-[C:9])(-[C:7])=[O:8].[N:5]-[c:6]	2	5497,5513
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5](-[C:6])-[N:7]-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:9].[N:7]-[c:8]	2	5498,33886
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:6])-[C:7](-[c:8])-[N:9]-[C:10](=[O:11])-[N:12]-1-[c:13]>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:6])=[O:14].[N:9]-[C:10](=[O:11])-[N:12]-[c:13].[C:7](-[c:8])=[O:15]	2	5499,16547
+[C:1]-1(-[C:2]-[C:3](-[C:4])=[N:5]-[c:6]:2:[n:7]:[c:8]:[n:9]:[n:10]-1:2)=[O:11]>>[C:1](-[C:2]-[C:3](-[C:4])=[O:15])(=[O:11])-[O:14]-[C:13]-[C:12].[N:5]-[c:6]:1:[n:7]:[c:8]:[n:9]:[n:10]:1	2	5508,5510
+[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:8])-[C:6]-[C:7]=[O:10])=[O:9]>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:8])=[O:9].[C:6](-[C:7]=[O:10])-[Br:11]	2	5517,9326
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:6])-[C:7](-[c:8])-[c:9]:2:[c:10]:[n:11]:[n:12]:[c:13]:2-[N:14]-1>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:6])=[O:15].[c:9]:1:[c:10]:[n:11]:[n:12]:[c:13]:1-[N:14].[C:7](-[c:8])=[O:16]	2	5523,5524
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[C:7]>>[C:5](=[O:6])(-[C:7])-[Cl:8].[O:1]-[C:2](=[O:3])-[C:4]-[C:10](=[O:9])-[O:11]	2	5525,5528
+[C:1](=[O:2])(-[C:3]-[C:4](=[O:5])-[N:6]-[c:7])-[O:8]>>[C:1](=[O:2])(-[C:3]-[C:4](=[O:5])-[O:9])-[O:8].[N:6]-[c:7]	2	5541,26412
+[O:1]=[C:2](-[C:3]-[C:4]=[O:7])-[N:6]-[c:5]>>[O:1]=[C:2](-[C:3]-[C:4]=[O:7])-[O:10]-[C:9]-[C:8].[c:5]-[N:6]	2	5549,20660
+[C:1]-[C:2]-[N:3](-[C:4])-[c:5](:[n:6]):[c:7]>>[N:3](-[C:4])-[c:5](:[n:6]):[c:7].[C:1]-[C:2]-[I:8]	2	5565,11214
+[C:1]-[C:2](-[C:3])=[N:4]-[N:5]>>[C:1]-[C:2](-[C:3])=[O:6].[N:4]-[N:5]	2	5569,12345
+[c:1]-[O:2]-[C:3]-[C:4]>>[c:1]-[O:2].[C:3](-[C:4])-[O:15]-[S:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[N+:6](=[O:5])-[O-:7]):[c:17]:[c:16]:1)(=[O:13])=[O:14]	2	5594,34541
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[O:9])-[C:10]>>[C:3](=[O:4])=[N:5]-[C:6]-[C:7](=[O:8])-[O:9].[C:1]-[N:2]-[C:10]	2	5625,10553
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[s:6]:1>>[C:4](-[C:5]-[Br:13])(-[O:9]-[C:8]-[C:7])-[O:10]-[C:11]-[C:12].[C:1]-[C:2](-[N:3])=[S:6]	2	5666,5672
+[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5]:[c:6]:[n:7]:1>>[C:5](-[C:6]-[Br:15])(-[O:11]-[C:10]-[C:9])-[O:12]-[C:13]-[C:14].[c:1]:[c:8](:[n:4]:[c:3]:[c:2])-[N:7]	2	5668,5669
+[c:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[N+:10](=[O:9])-[O-:11]	2	5694,37073
+[c:1]:[c:2]:1:[n:3]:[c:4](-[O:5]):[c:6](-[C:7](=[O:8])-[O:12]):[c:9]:[c:10]:1:[c:11]>>[C:4](=[O:5])(-[C:6]-[C:7](=[O:8])-[O:12])-[O:14]-[C:13].[c:1]:[c:2](-[N:3]):[c:10](-[C:9]=[O:15]):[c:11]	2	5699,5704
+[c:1](:[n:2]):[c:4](:[n:3])-[N:5]-[S:6](=[O:7])(=[O:8])-[c:9]>>[c:1](:[n:2]):[c:4](:[n:3])-[N:5].[S:6](=[O:7])(=[O:8])(-[c:9])-[Cl:10]	2	5719,45927
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:2:[o:11]:1>>[N:4]-[c:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:1-[O:11].[C:1]-[N:2]=[C:3]=[S:12]	2	5781,10426
+[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[Br:6]>>[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[C:8](=[O:7])-[O:9].[Br:6]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15]	2	5798,8077
+[n:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6](:[c:7]:1-[O:8]-[C:10])-[C:12](=[O:11])-[O:13]):[c:9]>>[n:1]:[c:2](-[N:3]-1-[N:4]=[C:5]-[C:6](-[C:7]-1=[O:8])-[C:12](=[O:11])-[O:13]):[c:9].[C:10]-[O:14]	2	5800,10225
+[c:1]:[c:2](:[c:3])-[C:4]-[C:5](-[C:6])=[O:7]>>[c:1]:[c:2](:[c:3])-[Br:8].[C:4]-[C:5](-[C:6])=[O:7]	2	5802,17461
+[N:1]-[C:8](-[C:7]-[N:3](-[C:2])-[c:4](:[c:5]):[c:6])=[O:9]>>[N:1]-[C:8](-[C:7]-[N:3]-[C:2])=[O:9].[c:4](:[c:5])(:[c:6])-[F:10]	2	5815,30277
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5](:[n:6]):[n:7]>>[C:1]-[N:2]-[C:3].[C:4](-[c:5](:[n:6]):[n:7])-[O:16]-[S:13](-[c:12]:1:[c:11]:[c:10]:[c:9](-[C:8]):[c:18]:[c:17]:1)(=[O:14])=[O:15]	2	5816,21645
+[C:1]-[N:2](-[C:3])-[c:4]:1:[n:5]:[n:6]:[c:7]:[n:8]:1>>[C:1]-[N:2]-[C:3].[c:4]:1(:[n:5]:[n:6]:[c:7]:[n:8]:1)-[Br:9]	2	5820,13040
+[C:1](=[C:2])-[C:3]-[O:4]-[C:5]-[O:6]>>[C:5](-[O:6])-[Cl:7].[C:1](=[C:2])-[C:3]-[O:4]	2	5834,5865
+[C:1](-[c:2](:[c:3]):[c:4])-[Cl:5]>>[C:1](-[Cl:5])-[O:7]-[C:6].[c:2](:[c:3]):[c:4]	2	5839,5847
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5](:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:[c:11]:1)-[O:12]>>[C:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:12])-[O:15]-[C:14]-[C:13])=[C:11]-[N:10]-[c:9](:[c:6]:[c:7]):[c:8]	2	5886,48327
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+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1-[C:7])-[C:8])-[O:9]>>[C:1]-1(-[N:2]-[C:3](-[N:4]-[C:5](=[C:6]-1-[C:7])-[C:8])=[S:10])=[O:9]	2	7264,41675
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+[c:1]:1:[n:2]:[n:3]:[c:5](:[n:4]):[c:6](-[N:7]-[c:8](:[n:9]):[c:10]):[c:11]:1>>[N:7]-[c:8](:[n:9]):[c:10].[c:1]:1:[n:2]:[n:3]:[c:5](:[n:4]):[c:6](:[c:11]:1)-[Br:12]	2	7283,49746
+[C:1]-[C:2]=[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1]-[C:2]=[C:3]-[C:4]-[Br:8]	2	7285,13215
+[O:1]=[C:2](-[C:3]-[C:4](-[O:5])(-[C:6])-[C:7])-[O:8]>>[O:1]=[C:2](-[C:3])-[O:8].[C:4](=[O:5])(-[C:6])-[C:7]	2	7298,30524
+[O:1]=[C:2]-1-[N:3]=[C:4](-[N:5](-[C:6])-[C:7])-[S:8]-[C:9]-1=[C:10]-[c:11]>>[N:5](-[C:6])-[C:7].[C:10](-[c:11])=[O:12].[O:1]=[C:2]-1-[N:3]-[C:4](-[S:8]-[C:9]-1)=[S:13]	2	7348,15560
+[C:1](=[O:2])-[C:3](-[O:4]-[C:8]-[c:7])=[C:5]-[O:6]>>[C:1](=[O:2])-[C:3](-[O:4])=[C:5]-[O:6].[c:7]-[C:8]-[Br:9]	2	7382,52676
+[N:1]-[C:2](-[C:3](-[C:4])-[O:8])=[C:5](-[C:6])-[Br:7]>>[N:1]-[C:2](-[C:3]=[O:8])=[C:5](-[C:6])-[Br:7].[C:4]-[Mg:10]-[Br:9]	2	7408,40219
+[N:1]-[C:2](-[C:3]=[O:7])=[C:4](-[C:5])-[Br:6]>>[N:1]-[C:2](-[C:3]-[O:7])=[C:4](-[C:5])-[Br:6]	2	7409,16452
+[C:1](-[C:2]-1=[C:3]-[C:4]=[C:5]-[Se:6]-1)=[O:7]>>[C:1](=[O:7])-[N:10]-1-[C:9]-[C:8]-[O:13]-[C:12]-[C:11]-1.[C:2]-1=[C:3]-[C:4]=[C:5]-[Se:6]-1	2	7412,14362
+[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5](=[O:6])-[O:7]-[c:8]:[c:9]-1:[c:10]>>[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:12]-[C:11])=[O:13].[O:7]-[c:8]:[c:9]:[c:10]	2	7441,33543
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[c:6](:[n:7]):[c:8]):[n:9]:[c:10]:1>>[N:5]-[c:6](:[n:7]):[c:8].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:9]:[c:10]:1)-[S:12](-[C:11])=[O:13]	2	7473,11741
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7](-[C:8]):[s:10]:1)-[C:9]>>[C:5](-[C:6](=[C:7](-[C:8])-[Cl:12])-[C:9])=[O:11].[O:1]-[C:2](=[O:3])-[C:4]-[S:10]	2	7477,30767
+[O:1]=[C:2](-[C:3])-[C:4]>>[C:2](-[C:4])#[N:9].[O:1](-[C:5]-[C:6])-[C:11]-[C:10].[C:3]-[Mg:8]-[I:7]	2	7489,11640
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5]-[C:6])-[c:7]>>[C:5](-[C:6])-[Br:8].[O:1]-[C:2](=[O:3])-[C:4]-[c:7]	2	7527,10776
+[O:1]=[C:2](-[C:3])-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1>>[O:1]=[C:2](-[C:3])-[O:16].[n:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:1)-[C:10](=[O:9])-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	2	7550,11882
+[O:1]=[C:2](-[C:3])-[N:5](-[C:4])-[c:6]:1:[n:7]:[c:8]:[c:9]:[n:10]:[c:11]:1>>[c:6]:1(:[n:7]:[c:8]:[c:9]:[n:10]:[c:11]:1)-[Cl:12].[O:1]=[C:2](-[C:3])-[N:5]-[C:4]	2	7553,13073
+[c:1]:1:[c:2]:[n:3]:[n:4](-[C:5](-[C:6])-[C:7]):[c:8]:1:[n:9]>>[C:5](-[C:6])(-[C:7])-[O:10].[c:1]:1:[c:2]:[n:3]:[n:4]:[c:8]:1:[n:9]	2	7573,8027
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1-[C:9]):[c:7]>>[N:3]-[c:4](:[c:5](:[c:6])-[N:8]-[C:9]):[c:7].[C:1]-[C:2](-[O:12]-[C:11]-[C:10])(-[O:13]-[C:14]-[C:15])-[O:16]-[C:17]-[C:18]	2	7575,43394
+[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]:[n:6]):[n:7]:1)-[I:8]>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:[n:6]):[n:7]:1.[I:8]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	2	7617,9571
+[C:1]-[C:2](-[c:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](-[c:3])=[O:7]	2	7642,27952
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[o:8]>>[N:5](-[C:6])-[C:7].[n:1]:[c:2](-[C:3](=[O:4])-[O:11]-[C:10]-[C:9]):[o:8]	2	7659,14462
+[C:1]-[N:2](-[c:3](:[n:4]:[c:5](:[c:6]):[c:7]):[c:8])-[C:9]>>[C:1]-[N:2]-[C:9].[c:3](:[n:4]:[c:5](:[c:6]):[c:7])(:[c:8])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17]	2	7666,14970
+[C:1]-[C:2](-[C:3](=[O:4])-[O:5])=[C:6]>>[C:1]-[C:2](-[C:3](=[O:4])-[O:5])-[C:6](=[O:7])-[O:8]	2	7668,26605
+[C:1]#[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]#[C:2].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[I:8]	2	7685,20825
+[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5](-[c:6](:[c:7]:[c:9]:[n:8]):[c:10]):[n:11]:[c:12]:1>>[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5](:[n:11]:[c:12]:1)-[Cl:22].[c:6](:[c:7]:[c:9]:[n:8])(:[c:10])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21]	2	7688,14577
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[c:7]:2:[n:8]:[c:9](:[c:10]:[c:12]:[n:13]:2):[c:11]>>[c:7]:1(:[n:8]:[c:9](:[c:10]:[c:12]:[n:13]:1):[c:11])-[Cl:14].[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1	2	7689,13495
+[c:1]:1:[n:2]:[c:3](-[S:4]-[c:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[S:10](-[C:9])(=[O:11])=[O:12].[S:4]-[c:5]	2	7701,10736
+[c:1]:1:[n:2]:[c:3](-[N:4](-[C:5])-[C:6]):[n:7]:[c:8]:[c:9]:1>>[N:4](-[C:5])-[C:6].[c:1]:1:[n:2]:[c:3](:[n:7]:[c:8]:[c:9]:1)-[S:11]-[C:10]	2	7726,14993
+[N:1]-[C:2]-1=[C:3](-[N:4]-[C:5])-[C:6](=[O:7])-[C:8]-1=[O:9]>>[N:4]-[C:5].[N:1]-[C:2]-1=[C:3](-[C:6](=[O:7])-[C:8]-1=[O:9])-[O:11]-[C:10]	2	7732,30265
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5](-[C:6])-[O:8]):[o:7]:1>>[C:5](-[C:6])=[O:8].[c:1]:1:[c:2]:[c:3]:[c:4]:[o:7]:1	2	7734,50074
+[N:1]-1-[C:2]=[C:3](-[B:4](-[O:5])-[O:6])-[C:7]=[C:8](-[N:9])-[C:10]-1>>[N:1]-1-[C:2]=[C:3](-[C:7]=[C:8](-[N:9])-[C:10]-1)-[Br:11].[B:4]-1(-[O:5]-[C:17](-[C:18])(-[C:19])-[C:20](-[O:6]-1)(-[C:21])-[C:22])-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:24](-[O:23]-2)(-[C:25])-[C:26]	2	7744,28003
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]>>[N:8]-[C:9].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:13]-[C:11](=[O:10])-[O:12]	2	7756,20883
+[O:1]=[C:2](-[O:3]-[C:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[O:3]-[C:4].[O:1]=[C:2](-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17]	2	7786,11957
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]:[n:7]>>[N:3](-[C:4])-[C:5].[c:1]:[c:2](:[c:6]:[n:7])-[Cl:8]	2	7797,14482
+[C:1]-[N:2](-[c:3]:1:[n:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[C:11]>>[C:1]-[N:2]-[C:11].[c:3]:1(:[n:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[Cl:12]	2	7819,13818
+[n:1]:1:[c:2]:[c:3]:[c:4]:2:[c:5]:3-[C:6](=[O:7])-[N:8]-[C:9](=[O:10])-[c:11]:3:[c:12](-[c:13]):[c:14]:[c:15]:1:2>>[n:1]:1:[c:2]:[c:3]:[c:4]:2-[C:5]-3-[C:6](=[O:7])-[N:8]-[C:9](=[O:10])-[C:11]-3-[C:12](-[c:13])-[C:14]-[c:15]:1:2	2	7833,50256
+[C:1]-[S:2](=[O:3])-[c:4](:[n:5]):[c:6]>>[C:1]-[S:2]-[c:4](:[n:5]):[c:6].[O:3]=[S:8](=[O:7])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[N:15]-2-[O:16]-[C:17]-2-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	2	7853,17909
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]#[N:7]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[Br:8].[C:6]#[N:7]	2	7854,17908
+[C:1]-[C:2]-[C:3]-[O:4]>>[C:1]-[C:2]-1-[C:3]-[O:4]-1	2	7874,29339
+[N:1]#[C:2]-[C:3](-[O:4])(-[C:5])-[C:6]>>[C:3](=[O:4])(-[C:5])-[C:6].[N:1]#[C:2]	2	7920,13334
+[O:1]=[C:2](-[N:3]-[C:4])-[N:5](-[C:6])-[c:7]>>[N:3]-[C:4].[O:1]=[C:2](-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17].[N:5](-[C:6])-[c:7]	2	7928,30133
+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]):[c:7]:[n:6]):[c:8]:[n:9]:1>>[n:1]:1:[c:2]:[c:3](:[c:8]:[n:9]:1)-[I:13].[c:4](:[c:5])(:[c:7]:[n:6])-[B:18]-1-[O:17]-[C:15](-[C:10](-[C:11])(-[C:12])-[O:19]-1)(-[C:14])-[C:16]	2	8024,9573
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[N:6]>>[C:1]-[N:3]-[C:2].[C:4](=[O:5])(-[N:6])-[n:9]:1:[c:8]:[c:7]:[n:11]:[c:10]:1	2	8032,10123
+[c:1]:[c:2](-[O:3]-[C:4]-[C:5]=[C:6]):[c:7]>>[O:3]-[C:4]-[C:5]=[C:6].[c:1]:[c:2](:[c:7])-[O:8]	2	8056,8057
+[N:1]-[C:2]-[C:3]=[C:4]-[C:5]>>[N:1]#[C:2]-[C:3]=[C:4]-[C:5]	2	8060,50052
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[N:10]=[C:11]):[c:12]:[c:13]:1>>[O:9]-[N:10]=[C:11].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:14]):[c:12]:[c:13]:1	2	8062,53565
+[C:1]-[C:4]-1=[C:3](-[C:2])-[N:9](-[C:7](-[C:6](=[C:5]-1)-[Br:11])=[O:8])-[C:10]>>[Br:11]-[N:20]-1-[C:15](=[O:14])-[C:16]-[C:17]-[C:18]-1=[O:19].[C:1]-[C:4](=[C:3](-[C:2])-[N:9]-[C:10])-[C:5]=[C:6]-[C:7](=[O:8])-[O:13]-[C:12]	2	8070,8748
+[C:1](=[C:2])(-[C:4](-[N:3])=[O:5])-[Br:6]>>[C:1](=[C:2])-[C:4](-[N:3])=[O:5].[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	2	8074,8075
+[C:1](-[C:2](=[C:3](-[Cl:4])-[C:5])-[N:6])-[Br:7]>>[C:1]-[C:2](=[C:3](-[Cl:4])-[C:5])-[N:6].[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	2	8096,8151
+[n:1]:1:[c:2](-[Br:3]):[n:4]:[n:5]:[c:6]:1>>[Br:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[n:1]:1:[c:2]:[n:4]:[n:5]:[c:6]:1	2	8141,8719
+[n:1]:[c:2]:1:[c:3](:[c:4]:[n:5]):[c:6](-[Br:7]):[c:8]:[n:9]:1>>[Br:7]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[n:1]:[c:2]:1:[c:3](:[c:4]:[n:5]):[c:6]:[c:8]:[n:9]:1	2	8163,8438
+[C:1](-[C:2](-[c:3])=[O:4])-[Br:5]>>[Br:5]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[C:1]=[C:2](-[c:3])-[O:4]-[C:7]-[C:6]	2	8170,8249
+[c:1]:1:[c:2](-[C:3]-[Br:4]):[c:5]:[n:6]:[n:7]:1>>[Br:4]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[c:1]:1:[c:2](-[C:3]):[c:5]:[n:6]:[n:7]:1	2	8189,8366
+[n:1]:[c:4](:[c:3]:[n:2])-[C:5]-[Br:6]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[n:1]:[c:4](:[c:3]:[n:2])-[C:5]	2	8190,8360
+[n:1]:[c:2]:[c:3](-[C:4]-[Br:5]):[o:6]>>[Br:5]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[n:1]:[c:2]:[c:3](-[C:4]):[o:6]	2	8345,8771
+[s:1]:[c:2](-[C:3]-[Br:5]):[n:4]>>[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[s:1]:[c:2](-[C:3]):[n:4]	2	8379,8552
+[c:1]:[c:2]:1:[c:3](-[Br:4]):[c:5]:[n:6]:[n:7]:1>>[Br:4]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[c:1]:[c:2]:1:[c:3]:[c:5]:[n:6]:[n:7]:1	2	8432,8636
+[C:1](=[C:2]-[N:3])(-[c:5](:[c:4]):[n:6])-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[C:1](=[C:2]-[N:3])-[c:5](:[c:4]):[n:6]	2	8458,8523
+[n:1]:[c:2]:[c:3](:[c:4](:[c:5]):[n:6])-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[n:1]:[c:2]:[c:3]:[c:4](:[c:5]):[n:6]	2	8531,8612
+[C:1](-[C:2](-[O:3])=[C:4]-[C:5])-[Br:6]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[C:1]-[C:2](-[O:3])=[C:4]-[C:5]	2	8558,8621
+[C:1]-[C:2](-[c:3])-[Br:4]>>[Br:4]-[N:5]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[C:1]-[C:2]-[c:3]	2	8669,8671
+[C:1]-[C:2](=[N:3]-[O:4])-[C:5]=[O:6]>>[C:1]-[C:2]-[C:5]=[O:6].[N:3](=[O:4])-[O:12]-[C:11]-[C:10]-[C:8](-[C:7])-[C:9]	2	8809,25665
+[O:1]=[C:2](-[O:3])-[C:4]-[C:5](-[O:6])(-[C:7])-[c:8]>>[C:5](=[O:6])(-[C:7])-[c:8].[O:1]=[C:2](-[O:3])-[C:4]	2	8810,30529
+[N:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[n:6]:[c:7](-[N:8]-[c:9]):[o:10]:1>>[N:1]-[C:2](=[O:3])-[C:4](-[N:5]-[N:6])=[O:10].[C:7](=[N:8]-[c:9])=[S:11]	2	8833,9538
+[c:1]:[c:2](-[C:3](=[O:4])-[O:6]-[C:7]):[n:5]>>[c:1]:[c:2](-[C:3]#[N:8]):[n:5].[O:6]-[C:7].[O:4]	2	8841,32827
+[C:1]-[C:2](-[C:3]=[O:4])-[C:5]>>[C:1]-[C:2](=[O:4])-[C:5].[C:3](-[O:19]-[C:18])-[P+:20](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:3	2	8878,52173
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[N:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5]#[N:6]	2	8888,17247
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:8](-[C:7]#[C:5]-[C:6]):[n:9]:1>>[C:5](-[C:6])#[C:7].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:8](:[n:9]:1)-[Br:10]	2	8913,24795
+[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:10]):[n:6]:[c:7](-[C:8]):[o:9]:1>>[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:10])-[N:6]-[C:7](-[C:8])=[O:9])=[O:11]	2	8917,36742
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[C:6])=[O:7])-[Cl:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:7].[Cl:8]-[S:10](=[O:9])(=[O:11])-[Cl:12]	2	8931,26378
+[C:1]-[C:5]=[C:3](-[C:2])-[O:4]>>[C:1]-[C:5]=[C:3](-[C:2])-[O:4]-[C:6]	2	8993,43228
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[C:1]-[C:2](=[O:3])-[O:10].[N:4]-[O:5]-[Si:7](-[C:6])(-[C:8])-[C:9]	2	8995,34202
+[C:1]-[C:2](-[O:3])-[C:4]-[C:5]>>[C:4](-[C:5])-[Mg:7]-[Br:6].[C:1]-[C:2]=[O:3]	2	9029,20241
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5]:[c:6]:1>>[c:1]:1:[n:2]:[c:3](:[n:4]:[c:5]:[c:6]:1)-[Cl:7]	2	9051,10857
+[N:1]-[C:2](-[N:3])=[N:4]-[C:5]>>[C:2](-[N:3])(-[N:4]-[C:5])=[S:6].[N:1]	2	9071,37890
+[c:1]:1:[n:2]:[c:3]:[n:4](:[c:5]:1:[n:6])-[C:7](-[C:8]-[C:9])-[O:10]>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5]:1:[n:6].[C:7](=[C:8]-[C:9])-[O:10]	2	9082,43734
+[N:1]#[C:2]-[C:3]-[C:4](-[C:5])-[C:6]>>[N:1]#[C:2]-[C:3]=[C:4](-[C:5])-[C:6]	2	9152,22498
+[C:1]-[C:2]-[C:3](-[C:4](=[O:5])-[O:8])(-[C:6])-[C:7]>>[C:3](-[C:4](=[O:5])-[O:8])(-[C:6])-[C:7].[C:1]-[C:2]-[I:9]	2	9154,26504
+[C:1]-[C:2](-[C:3])=[C:4]-[C:5](=[O:6])-[O:9]-[C:8]-[C:7]>>[C:4]-1-[C:5]-[O:9]-[C:8]-[C:7]-1.[C:1]-[C:2](-[C:3])=[O:6]	2	9178,13099
+[c:1]:[c:2](-[C:3](-[C:4])(-[C:5])-[O:7]):[c:6]>>[C:3](-[C:4])(-[C:5])=[O:7].[c:1]:[c:2](:[c:6])-[I:8]	2	9182,9324
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[C:7]-[C:8])-[C:9]>>[O:5]=[C:6](-[C:7]-[C:8])-[C:9].[C:1]-[Si:2](-[C:3])(-[C:4])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17]	2	9186,9192
+[C:1]-[C:2](-[O:3])(-[c:4]:1:[n:5]:[c:6]:[c:7]:[s:8]:1)-[C:9]>>[C:1]-[C:2](=[O:3])-[C:9].[c:4]:1:[n:5]:[c:6]:[c:7]:[s:8]:1	2	9198,11928
+[C:1]-[C:2](-[C:3])(-[C:4]-[C:5](=[O:6])-[O:9])-[C:8]-[N+:7]>>[C:1]-[C:2](-[C:3])=[C:4]-[C:5](=[O:6])-[O:9].[N+:7]-[C:8]	2	9268,28638
+[C:1]=[C:2]-[C:3]-[C:4]-[C:5](=[O:6])-[C:7]>>[C:5](=[O:6])(-[C:7])-[N:10](-[O:9]-[C:8])-[C:11].[C:1]-1-[C:2]-[C:3]-[C:4]-[O:12]-1	2	9281,13098
+[C:1]-1-[C:2]-[O:3]-[C:4](-[C:5])-[O:6]-[C:7]-1>>[O:3]=[C:4]-[C:5].[C:1](-[C:2]-[O:8])-[C:7]-[O:6]	2	9283,39462
+[c:1]:[c:2](:[c:3])-[O:7]-[C:6]-[C:5]#[C:4]>>[c:1]:[c:2](:[c:3])-[O:8].[C:4]#[C:5]-[C:6]-[O:7]	2	9292,17144
+[C:1]-[C:2]=[C:3]-[C:4]>>[C:3](-[C:4])=[O:23].[C:1]-[C:2]-[P+:8](-[c:7]:1:[c:6]:[c:5]:[c:24]:[c:22]:[c:21]:1)(-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2)-[c:15]:3:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:3	2	9298,24877
+[C:1]-[C:2](-[O:3])-[C:4]#[C:5]>>[C:1]-[C:2]=[O:3].[C:4]#[C:5]	2	9318,29867
+[C:1]-[N:2]-[c:3]:1:[c:4](:[n:5]):[c:6]:[n:7]:[c:8]:[c:9]:1>>[C:1]-[N:2].[c:3]:1(:[c:4](:[n:5]):[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:10]	2	9430,12318
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8])-[Cl:10]	2	9434,41847
+[C:1]-[O:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[O:2].[C:3](-[C:4](=[O:5])-[O:6])=[N+:8]=[N-:7]	2	9443,30953
+[C:1]-[N:2](-[C:3])-[c:4]:1:[c:5]:[c:6]:[n+:7]:[c:8]:[c:9]:1>>[c:4]:1(:[c:5]:[c:6]:[n+:7]:[c:8]:[c:9]:1)-[Cl:10].[C:1]-[N:2]-[C:3]	2	9473,32639
+[C:1]-1=[C:2]-[c:3]:[c:4](:[n:5])-[N:6](-[C:7])-[C:8]-1=[O:9]>>[C:1](=[C:2]-[c:3]:[c:4](:[n:5])-[N:6]-[C:7])-[C:8](=[O:9])-[O:12]-[C:11]-[C:10]	2	9527,27141
+[C:1]-[C:2]=[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:6].[C:1]-[C:2]-[P+:11](-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:25]:[c:24]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	2	9551,24763
+[N:1]#[C:2]-[C:3]-[C:4](-[O:5])-[c:6]>>[C:4](=[O:5])-[c:6].[N:1]#[C:2]-[C:3]	2	9577,41216
+[O:1]=[C:2](-[N:3]-[c:4])-[N:5](-[O:6])-[C:7]>>[N:5](-[O:6])-[C:7].[O:1]=[C:2]=[N:3]-[c:4]	2	9578,33269
+[C:1]-[N:2](-[c:3](:[c:4]):[c:7](:[n:5]):[n:6])-[C:8]>>[C:1]-[N:2]-[C:8].[c:3](:[c:4])(:[c:7](:[n:5]):[n:6])-[Br:9]	2	9586,37891
+[C:1]-[N:2](-[C:3]=[O:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](=[O:4])-[O:6]-[C:8]-[C:7]	2	9619,31186
+[n:1]:[c:2]:[c:3](-[C:4]-[N:5](-[C:6])-[C:7]):[s:8]>>[N:5](-[C:6])-[C:7].[n:1]:[c:2]:[c:3](-[C:4]-[Cl:9]):[s:8]	2	9689,14956
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5](=[O:6])-[N:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](=[O:4])(-[C:5](=[O:6])-[N:7])-[O:9]	2	9690,9733
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2]-[C:9].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Br:10]	2	9701,42792
+[N:1]-[C:2](-[N:3])=[N:4]-[O:5]>>[N:1]#[C:2]-[N:3].[N:4]-[O:5]	2	9810,16151
+[S:1]=[C:2]-1-[N:3]-[C:4](-[C:5])=[C:6](-[C:7]#[N:8])-[C:9](=[O:10])-[N:11]-1>>[C:4](-[C:5])=[O:14].[C:6](-[C:7]#[N:8])-[C:9](=[O:10])-[O:13]-[C:12].[S:1]=[C:2](-[N:3])-[N:11]	2	9903,19031
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5]-[N:6]-[C:7]-1=[O:8]>>[N:2]-1-[C:3](=[O:4])-[C:5]-[N:6]-[C:7]-1=[O:8].[C:1]-[I:9]	2	9952,29795
+[c:1]-[N:2]-1-[C:3]=[N:4]-[C:5](=[O:6])-[C:7]-1>>[c:1]-[N:2]-[C:7]-[C:5](-[N:4])=[O:6].[C:3](-[O:10]-[C:9]-[C:8])(-[O:11]-[C:12]-[C:13])-[O:14]-[C:15]-[C:16]	2	10011,31073
+[C:1]-[O:2]-[C:3](=[N:4])-[c:5]>>[C:3](#[N:4])-[c:5].[C:1]-[O:2]	2	10018,32891
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5]:1:[n:6]>>[c:1]:1:[n:2]:[c:3]:[n:4](:[c:5]:1:[n:6])-[C:7]-2-[C:8]-[C:9]-[C:10]-[C:11]-[O:12]-2	2	10073,55335
+[C:1]-[C:2](-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7])-[C:9]>>[C:1]-[C:2](-[C:9])-[O:14]-[S:11](-[C:10])(=[O:12])=[O:13].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	2	10104,48641
+[c:1]:[c:2](:[c:3])-[I:4]>>[c:1]:[c:2](:[c:3])-[Br:5].[I:4]-[Cu:6]	2	10115,13417
+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]):[n:7]:[n:6]):[c:8]:[n:9]:1>>[c:4](:[c:5])(:[n:7]:[n:6])-[Cl:13].[n:1]:1:[c:2]:[c:3](:[c:8]:[n:9]:1)-[B:18]-2-[O:17]-[C:15](-[C:10](-[C:11])(-[C:12])-[O:19]-2)(-[C:14])-[C:16]	2	10129,28526
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]:[s:6]):[n:7])-[C:8]>>[C:3](-[c:4](:[c:5]:[s:6]):[n:7])=[O:9].[C:1]-[N:2]-[C:8]	2	10134,32585
+[s:1]:[c:2](-[C:3](-[F:4])(-[C:5])-[C:6]):[n:7]>>[s:1]:[c:2](-[C:3](-[C:5])(-[C:6])-[O:16]):[n:7].[F:4]-[S:13](-[N:10](-[C:9]-[C:8])-[C:11]-[C:12])(-[F:14])-[F:15]	2	10155,29549
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[N:9]-[C:10](-[C:11])-[C:12]>>[C:10](-[C:11])(-[C:12])=[O:13].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[N:9]	2	10160,24018
+[C:1]-[C:2](-[C:3]-[C:4]-[C:5](-[c:6](:[c:7]):[n:8])=[O:10])=[O:9]>>[C:1]-[C:2](-[C:3]=[C:4])=[O:9].[C:5](-[c:6](:[c:7]):[n:8])=[O:10]	2	10204,15415
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:2):[n:11]:[c:12]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[n:11]:[c:12]:1)-[Br:13].[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[B:15](-[O:14])-[O:16]	2	10232,46748
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6]:[n:7](-[C:8]):[c:9]:2:[n:10]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](-[N:5]):[c:9](-[N:7]-[C:8]):[n:10]:1.[C:6](=[O:11])-[O:12]	2	10237,38324
+[C:1]-1(-[N:2]-[N:3](-[C:4])-[c:5]:2:[c:6]-1:[c:7]:[n:8]:[c:9]:[c:10]:2)=[O:11]>>[C:1](-[N:2]-[N:3]-[C:4])(-[c:6]:1:[c:5](:[c:10]:[c:9]:[n:8]:[c:7]:1)-[I:12])=[O:11]	2	10264,11765
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1>>[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1-[C:10]-[c:9]:2:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:2	2	10275,15328
+[n:1]:[c:2]:[c:3]:1-[N:4]-[C:5](=[O:6])-[N:7](-[C:8])-[c:9]:1:[n:10]>>[n:1]:[c:2]:[c:3](-[N:4]):[c:9](-[N:7]-[C:8]):[n:10].[C:5](=[O:6])(-[Cl:11])-[Cl:12]	2	10277,34945
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[O:8]-[C:9]>>[O:8]-[C:9].[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[Cl:10]	2	10290,30429
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5](:[c:6]):[c:8]):[c:7]):[c:9]:[n:10]>>[c:3](:[n:4]:[c:5](:[c:6]):[c:8])(:[c:7])-[Cl:20].[c:1]:[c:2](:[c:9]:[n:10])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	2	10295,29286
+[C:1]-[C:2](-[C:3])(-[N:4])-[C:6](-[N:5])=[O:7]>>[C:2](-[C:3])(-[N:4])-[C:6](-[N:5])=[O:7].[C:1]-[I:8]	2	10318,15476
+[c:1]:[c:5]:[n:4]:[c:3](:[c:2])-[N:6](-[C:7])-[C:8]-[C:9](=[O:10])-[O:11]>>[N:6](-[C:7])-[C:8]-[C:9](=[O:10])-[O:11].[c:1]:[c:5]:[n:4]:[c:3](:[c:2])-[Cl:12]	2	10349,44209
+[N:1]-[C:2](-[C:3])-[c:4]:[c:5]:[n:6]>>[C:2](-[C:3])(-[c:4]:[c:5]:[n:6])=[O:7].[N:1]	2	10356,40781
+[C:1]-[O:2]-[c:3]:1:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1>>[c:3]:1(:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1)-[Cl:11].[C:1]-[O:2]	2	10366,30439
+[c:1]-[N:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[c:7]:1)-[C:8]>>[c:1]-[N:2]-[C:8].[c:3]:1(:[n:4]:[n:5]:[c:6]:[c:7]:1)-[Br:9]	2	10367,16072
+[c:1]:[c:2](-[C:3]-1=[C:4]-[N:5]-[C:6]-[C:7]=[C:8]-1):[n:9]:[c:10]:[c:11]>>[c:1]:[c:2](:[n:9]:[c:10]:[c:11])-[Cl:21].[C:3]-1(=[C:4]-[N:5]-[C:6]-[C:7]=[C:8]-1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20]	2	10415,10416
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10].[C:1]-[C:2](-[O:13]-[C:12]-[C:11])=[N:14]	2	10427,12800
+[c:1]:1:[n:2]:[c:3]:[c:5](:[c:4]):[n:6]:[c:7]:1-[N:8]-[C:9]>>[N:8]-[C:9].[c:1]:1:[n:2]:[c:3]:[c:5](:[c:4]):[n:6]:[c:7]:1-[F:10]	2	10430,17756
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:[n:6]:[c:7]:2-[C:8]):[n:9]:[c:10]:1>>[C:7](-[C:8])=[O:11].[c:1]:1:[n:2]:[n:3]:[c:4](-[N:5]-[N:6]):[n:9]:[c:10]:1	2	10434,10435
+[C:1]-[O:2]-[S:3](-[C:4])(=[O:5])=[O:6]>>[C:1]-[O:2].[S:3](-[C:4])(=[O:5])(=[O:6])-[O:7]	2	10444,45729
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Br:7].[C:1]-[C:2]#[C:3]-[Si:9](-[C:8])(-[C:10])-[C:11]	2	10492,12007
+[n:1]:1:[c:2]:[c:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:8]>>[c:6](:[c:7])(:[c:8])-[Br:9].[n:1]:1:[c:2]:[c:3]:[c:4]:[c:5]:1-[B:11](-[O:10])-[O:12]	2	10544,46574
+[O:1]=[C:2](-[N:3](-[C:4]-[c:5](:[n:6]):[n:7])-[c:8]:[c:9]:[n:10])-[C:11]>>[O:1]=[C:2](-[N:3]-[c:8]:[c:9]:[n:10])-[C:11].[C:4](-[c:5](:[n:6]):[n:7])-[Cl:12]	2	10546,10547
+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:11](=[O:12])-[N:13]-1.[c:5]:[c:6](-[C:7]#[C:8]-[C:9]):[c:10]>>[C:7]#[C:8]-[C:9].[c:1]-[C:2]=1-[N:3]-[N:4]-[C:11](=[O:12])-[N:13]=1.[c:5]:[c:6](:[c:10])-[I:14]	2	10573,17261
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5].[c:6]-[C:7]-1=[N:8]-[N:9]-[C:10](=[O:11])-[N:12]-1>>[N:4]-[C:5].[c:6]-[C:7]=1-[N:8]-[N:9]-[C:10](=[O:11])-[N:12]=1.[C:1]-[C:2](=[O:3])-[Cl:13]	2	10577,17336
+[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5](-[C:6]#[N:7])=[C:8]-2-[N:9]-[c:10](:[c:11](:[c:12])-[N:14]-2-[C:15]-1=[O:16]):[c:13]>>[C:1]-[C:2](-[C:3](-[C:4])=[O:20])-[C:15](=[O:16])-[O:19]-[C:18]-[C:17].[C:5](-[C:6]#[N:7])-[c:8]:1:[n:9]:[c:10](:[c:11](:[c:12]):[n:14]:1):[c:13]	2	10581,43357
+[c:1]:1:[c:2](-[C:3]):[n:4]:[n:5]:[c:6]:1-[C:7]>>[C:1](-[C:2](-[C:3])=[O:8])-[C:6](-[C:7])=[O:9].[N:4]-[N:5]	2	10584,29647
+[O:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Cl:6].[O:1]-[N:2]	2	10602,44078
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[c:7]):[c:8]:[n:9]:1>>[N:6]-[c:7].[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:10]):[c:8]:[n:9]:1	2	10642,14135
+[c:1]:[c:2](-[c:3](:[c:4]):[c:7](:[n:5]):[c:6]):[c:8]>>[c:3](:[c:4])(:[c:7](:[n:5]):[c:6])-[Br:9].[c:1]:[c:2](:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	2	10643,14045
+[C:1](-[C:2](-[C:3])=[O:6])-[C:4](-[C:5])=[O:7]>>[C:4](-[C:5])(=[O:7])-[O:9]-[C:8].[C:1]-[C:2](-[C:3])=[O:6]	2	10652,22538
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5]:1:[n:6]:[c:7](-[C:8]):[c:9]:[c:10]:2-[C:11](=[O:12])-[O:13]>>[C:7](-[C:8])(-[C:9]-[C:10](-[C:11](=[O:12])-[O:13])=[O:14])=[O:15].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[N:6]	2	10663,44264
+[C:1]-[C:2](-[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-[c:8])=[O:9]>>[C:1]-[C:2](-[N:3]-[N:4])=[O:9].[C:5](=[O:6])(-[O:14]-[C:11](-[Cl:10])(-[Cl:12])-[Cl:13])-[O:15]-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19].[N:7]-[c:8]	2	10680,10681
+[C:1]-[C:2](-[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-[c:8])=[O:9]>>[C:1]-[C:2](-[N:3]-[N:4])=[O:9].[C:5](=[O:6])=[N:7]-[c:8]	2	10682,10683
+[c:1](:[n:2]):[c:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[C:8]):[o:9]:1>>[N:5]-[N:6]-[C:7](-[C:8])=[O:9].[c:1](:[n:2]):[c:3]-[C:4](=[O:10])-[O:11]	2	10691,26380
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5]-[C:6]#[N:7])-[C:8]):[n:9]:[c:10]:1>>[C:4](=[C:5]-[C:6]#[N:7])-[C:8].[c:1]:1:[c:2]:[n:3]:[n:9]:[c:10]:1	2	10746,34077
+[N:1]#[C:2]-[C:3](-[C:4]#[N:5])(-[C:6])-[C:7]-[C:8]>>[C:7](-[C:8])-[Br:9].[N:1]#[C:2]-[C:3](-[C:4]#[N:5])-[C:6]	2	10777,37815
+[O:1]=[C:2](-[C:3](-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[O:10])(-[c:11])-[O:13])-[N:12]>>[O:1]=[C:2](-[C:3](-[c:11])=[O:13])-[N:12].[c:4]:1:[c:8]:[c:7]:[c:6]:[c:5]:[c:9]:1-[O:10]	2	10821,39153
+[O:1]-[C:2]=[C:3](-[C:4]-[O:6])-[N:5]>>[O:1]-[C:2]=[C:3](-[C:4](=[O:6])-[O:7])-[N:5]	2	10862,56832
+[C:1]=[C:2]-[N:3]-[N:4]=[C:5]-[c:6]>>[C:1]=[C:2]-[N:3]-[N:4].[C:5](-[c:6])=[O:7]	2	10863,36294
+[O:1]-[C:2]=[C:3](-[C:4]-[N:5](-[C:8]=[O:7])-[C:9]=[O:10])-[N:6]>>[O:1]-[C:2]=[C:3](-[C:4]-[Cl:11])-[N:6].[N:5](-[C:8]=[O:7])-[C:9]=[O:10]	2	10866,55824
+[O:1]-[C:2]=[C:3](-[C:4]-[Cl:6])-[N:5]>>[O:1]-[C:2]=[C:3](-[C:4]-[O:10])-[N:5].[Cl:6]-[S:8](=[O:7])-[Cl:9]	2	10870,35831
+[n:1]:[c:2](-[c:3]:1:[c:4]:2-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[N:10]-[c:11]:2:[n:12]:[n:13]:1-[C:14]-[c:15]:[c:16]:[n:17]):[c:18]>>[C:4]=1-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[N:10]-[C:11]=1-[N:12]-[N:13].[n:1]:[c:2](-[C:3]=[O:19]):[c:18].[C:14](-[c:15]:[c:16]:[n:17])=[O:20]	2	10872,26777
+[N:1]-[C:2]=[C:3](-[C:4]=[O:6])-[c:5]>>[N:1]-[C:2]=[C:3]-[c:5].[C:4](=[O:6])-[N:8](-[C:7])-[C:9]	2	10876,11802
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]):[n:8]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6](:[c:7]):[n:8])-[O:10]-[C:9]	2	10897,14701
+[c:1]-[n:2]:1:[c:3]:[c:4](-[c:5]:[c:7]:[n:6]):[n:8]:[n:9]:1>>[C:3]#[C:4]-[c:5]:[c:7]:[n:6].[c:1]-[N:2]=[N+:9]=[N-:8]	2	10906,47885
+[C:1]-[C:2](-[O:3])-[C:11]-[O:10]>>[C:1]-[C:2]=[C:11].[O-:3]-[N+:13]-1(-[C:5]-[C:4]-[O:16]-[C:15]-[C:14]-1)-[C:12].[O:6]=[Os:7](=[O:8])(=[O:9])=[O:10]	2	10922,16024
+[c:1]:[c:2](-[I:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[Br:5].[I:3]-[I:6]	2	10936,40506
+[C:1](=[O:2])-[C:3](-[C:4](=[O:5])-[N:6]-[C:7])=[C:8]-[N:9]>>[C:1](=[O:2])-[C:3](-[C:4](=[O:5])-[O:10])=[C:8]-[N:9].[N:6]-[C:7]	2	11117,43539
+[c:1](-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]):[c:7]:[n:8]>>[N:4](-[C:5])-[c:6].[c:1](-[C:2](=[O:3])-[O:9]):[c:7]:[n:8]	2	11120,48977
+[c:1]:[c:2]:1:[c:3](:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:1):[c:9]>>[C:5](=[N:6]-[C:7])=[S:10].[c:1]:[c:2](:[c:3](-[N:4]):[c:9])-[N:8]	2	11123,27073
+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:[c:6]:1-[N:7](-[C:8])-[C:9]>>[N:7](-[C:8])-[C:9].[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:[c:6]:1-[Br:10]	2	11148,12705
+[C:1]-[C:2]-[O:3]-[c:4](:[c:5]):[n:6]>>[O:3]-[c:4](:[c:5]):[n:6].[C:1]-[C:2]-[I:7]	2	11151,30042
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:7]:1-[C:8]>>[C:5](-[C:6])(-[N:7]-[C:8])=[O:9].[C:1]-[C:2](-[N:3]-[N:4])=[O:10]	2	11153,37147
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[c:5](:[n:6]:1):[s:7]:[c:8](-[C:9](=[O:10])-[N:11]):[c:12]:2-[N:13]>>[S:7]-[C:8]-[C:9](=[O:10])-[N:11].[c:1]:1:[c:2]:[c:3]:[c:4](:[c:5](:[n:6]:1)-[Cl:14])-[C:12]#[N:13]	2	11156,38816
+[O:1]=[C:2](-[N:3]-[c:4])-[N:6](-[C:5])-[C:7]>>[N:3]-[c:4].[C:5]-[N:6]-[C:7].[O:1]=[C:2](-[n:10]:1:[c:9]:[c:8]:[n:17]:[c:16]:1)-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	2	11183,42515
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:8](-[O:7]-[C:6])-[C:9]	2	11196,12511
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[c:7]:[c:9]:[n:8]):[n:10]:1-[C:11]>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N:10]-[C:11].[C:6](-[c:7]:[c:9]:[n:8])=[O:12]	2	11203,49693
+[C:1]-[S:2]-[c:3]:1:[n:4]:[c:5](:[c:6]):[n:7]:[c:8]:[c:9]:1>>[c:3]:1(:[n:4]:[c:5](:[c:6]):[n:7]:[c:8]:[c:9]:1)-[Cl:10].[C:1]-[S:2]	2	11207,21847
+[O:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[C:6](=[C:7]-[c:8]:2:[c:9](:[n:10]):[n:11]:[n:12]:[c:13]:2)-[S:14]-1>>[C:7](-[c:8]:1:[c:9](:[n:10]):[n:11]:[n:12]:[c:13]:1)=[O:15].[O:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[C:6]-[S:14]-1	2	11215,44481
+[N:1]-[C:2](=[O:3])-[C:4]-[S:11]-[c:6]:1:[c:5]:[c:10]:[n:9]:[c:8]:[n:7]:1>>[c:5]:1:[c:6](:[n:7]:[c:8]:[n:9]:[c:10]:1)-[Cl:12].[N:1]-[C:2](=[O:3])-[C:4]-[S:11]	2	11216,27796
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[N:6]):[c:7]:2:[c:8](:[n:9]:[c:10]:[n:11]:[c:12]:2):[s:13]:1>>[N:1]-[C:2](=[O:3])-[C:4]-[S:13]-[c:8]:1:[c:7](-[C:5]#[N:6]):[c:12]:[n:11]:[c:10]:[n:9]:1	2	11218,27803
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[N:6]):[c:7]:2:[c:8](:[n:9]:[c:10]:[n:11]:[c:12]:2):[s:13]:1>>[C:5](#[N:6])-[c:7]:1:[c:8](:[n:9]:[c:10]:[n:11]:[c:12]:1)-[Cl:14].[N:1]-[C:2](=[O:3])-[C:4]-[S:13]	2	11220,47489
+[c:1]:[c:2](-[C:3](-[S:4])(-[C:5]-[C:6])-[C:8]-[C:7]):[n:9]>>[c:1]:[c:2](-[C:3]-[S:4]):[n:9].[C:5](-[C:6])-[Cl:10].[C:7]-[C:8]-[Cl:11]	2	11235,35056
+[O:1]-[C:2](=[O:3])-[C:4](-[c:5](:[c:6]):[c:7])=[O:8]>>[c:5](:[c:6]):[c:7].[O:1]-[C:2](=[O:3])-[C:4](=[O:8])-[Cl:9]	2	11259,44205
+[c:1]-[C:2](=[O:3])-[C:4]-1-[C:5]-[C:6]-1>>[C:4]-1(-[C:5]-[C:6]-1)-[Mg:8]-[Br:7].[c:1]-[C:2](=[O:3])-[N:11](-[O:10]-[C:9])-[C:12]	2	11260,11262
+[c:1]:1:[c:2]:[n:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:7]:[n:8]:1.[c:4](:[c:5])(:[c:6])-[B:10](-[O:9])-[O:11]	2	11265,32546
+[C:1]=[C:2]-[C:3](-[O:4]-[C:5]-[c:6])=[C:7]-[C:8]>>[C:1]=[C:2]-[C:3](-[O:4])=[C:7]-[C:8].[C:5](-[c:6])-[Br:9]	2	11278,48682
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]>>[C:4]-[O:5]-[C:14]-[c:13]:1:[c:12]:[c:11](-[C:10]-[N:9]):[c:17](:[c:16]:[c:15]:1)-[C:18]-2-[C:19]-[C:20]-2.[N:6]-[C:7].[n:1]:[c:2](-[N:3]):[c:8]	2	11279,11280
+[C:1]-[C:7](-[C:3]-1(-[C:2])-[O:4]-[C:5]-1-[c:6])=[O:8]>>[C:1]-[C:7](-[C:3](-[C:2])=[C:5]-[c:6])=[O:8].[O:4]-[O:9]	2	11303,29315
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[c:7]>>[C:1]-[C:2](-[N:6]-[c:7])=[O:12].[N:3](=[N+:4]=[N-:5])-[Si:9](-[C:8])(-[C:10])-[C:11]	2	11307,34138
+[C:1](=[O:2])-[N:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:9].[C:1](=[O:2])-[N:3]	2	11330,17116
+[C:1]-[C:7](-[C:5](-[C:3](-[C:2])=[O:4])-[c:6])=[O:8]>>[C:1]-[C:7](-[C:3]-1(-[C:2])-[O:4]-[C:5]-1-[c:6])=[O:8]	2	11365,29316
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]>>[C:3](=[O:4])(-[c:5])-[O:7]-[C:6].[c:1]-[N:2]	2	11366,26414
+[c:1]:[c:2](-[N:3]-[c:4]):[n:5](:[c:6]):[c:8](:[c:7]):[c:9]>>[N:3]-[c:4].[c:1]:[c:2](:[n:5](:[c:6]):[c:8](:[c:7]):[c:9])-[Cl:10]	2	11369,50268
+[c:1](:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8]):[c:10]:[n:11]):[n:12]>>[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8].[c:1](:[c:2](:[c:10]:[n:11])-[I:13]):[n:12]	2	11380,19428
+[C:1]-[O:2]-[c:3](:[c:4](:[n:5]):[c:6]):[c:7]>>[c:3](:[c:4](:[n:5]):[c:6])(:[c:7])-[O:8].[C:1]-[O:2]	2	11389,19174
+[c:1]:[c:3](:[n:2])-[c:4]:1:[n:5]:[c:6](-[C:7]):[n:8]:[o:9]:1>>[c:1]:[c:3](:[n:2])-[C:4](=[O:10])-[O:11].[N:5]=[C:6](-[C:7])-[N:8]-[O:9]	2	11395,18772
+[c:1]:[c:3](:[n:2])-[N:4]-[c:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1>>[c:1]:[c:3](:[n:2])-[N:4].[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[Br:11]	2	11404,50602
+[O:1]=[C:2](-[O:3])-[C:4]-1=[C:5](-[C:6])-[C:7]-[C:8]-[C:9]-[C:10]-1>>[O:1]=[C:2](-[O:3])-[C:4]-1=[C:5](-[C:6])-[C:7]-[C:8]-[C:10]-1.[C:9]-1-[C:19]-[C:18]-[C:17]=2-[C:12](=[O:11])-[O:13]-[C:14](=[O:15])-[C:16]=2-[C:20]-1	2	11435,11988
+[n:1]:[c:2]:[c:3](:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]):[n:9]>>[n:1]:[c:2]:[c:3](:[c:4](:[c:8])-[Br:10]):[n:9].[c:5](:[c:6])(:[c:7])-[B:12](-[O:11])-[O:13]	2	11441,27748
+[C:1]-[C:2](-[N:3]-[C:22](=[O:21])-[O:23]-[C:24]-[c:25])(-[C:4])-[C:5]>>[C:1]-[C:2](-[C:4])(-[C:5])-[C:22](=[O:21])-[O:23].[N:3](=[N+:6]=[N-:27])-[P:7](=[O:8])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2.[C:24](-[c:25])-[O:26]	2	11465,52471
+[C:1]-[C:2](-[N:3]-[C:4](=[O:5])-[O:6]-[C:7])(-[C:8])-[C:9]>>[C:1]-[C:2](-[C:4](=[O:5])-[O:10])(-[C:8])-[C:9].[O:6]-[C:7].[N:3](=[N+:12]=[N-:11])-[P:13](=[O:14])(-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)-[c:21]:2:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:2	2	11483,43811
+[c:1]:[c:2]:1:[c:3](:[n:4]:[c:5](-[c:6]:[c:8]:[n:7]):[n:9]:1):[c:10]>>[c:1]:[c:2](:[c:3](-[N:4]):[c:10])-[N+:9](=[O:12])-[O-:13].[C:5](-[c:6]:[c:8]:[n:7])=[O:11]	2	11555,27010
+[c:1]:1:[c:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[n:8]:1>>[N:4]-[C:5].[c:1]:1:[c:2]:[c:3](:[n:6]:[c:7]:[n:8]:1)-[N:13]-[C:12]-2-[C:11]-[C:10]-[C:9]-[C:14]-2	2	11621,12216
+[C:1](-[C:2](=[O:3])-[O:8])-[N:4]-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])=[O:9].[C:1](-[C:2](=[O:3])-[O:8])-[N:4]	2	11663,26297
+[N:1]#[C:2]-[C:3](-[c:4])-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])-[Br:8].[N:1]#[C:2]-[C:3]-[c:4]	2	11685,26357
+[C:1]-[c:2]:1:[c:3]:2-[C:4](=[O:5])-[N:6]=[C:7](-[c:8])-[N:9]-[n:10]:2:[c:11](-[C:12]):[n:13]:1>>[C:1]-[C:2](-[c:3]:1:[c:4](-[O:5]):[n:6]:[c:7](-[c:8]):[n:9]:[n:10]:1)-[N:13]-[C:11](-[C:12])=[O:14]	2	11691,57232
+[N:1]-[C:2](=[O:3])-[C:4]>>[N:1]#[C:2]-[C:4].[O:3]=[C:6](-[O:5])-[O:7]	2	11693,46873
+[c:1]-[O:2]-[C:3]-[C:4]#[N:5]>>[c:1]-[O:2].[C:3](-[C:4]#[N:5])-[Cl:6]	2	11699,41308
+[C:1](-[C:4](=[C:2]-[C:3])-[C:5])=[O:6]>>[C:2](-[C:3])=[O:7].[C:1](-[C:4]-[C:5])=[O:6]	2	11704,28605
+[C:1]-[C:2](-[N:3]-[c:4])-[c:5]>>[C:1]-[C:2](-[c:5])=[O:6].[N:3]-[c:4]	2	11732,29774
+[c:1]:1(:[n:2]:[n:3](-[C:4]):[c:5]:2:[c:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:2)-[O:14]-[S:12](=[O:11])(=[O:13])-[C:15](-[F:16])(-[F:17])-[F:18]>>[C:1]-1(-[N:2]-[N:3](-[C:4])-[c:5]:2:[c:6]-1:[c:7]:[n:8]:[c:9]:[c:10]:2)=[O:14].[O:11]=[S:12](=[O:13])(-[C:15](-[F:16])(-[F:17])-[F:18])-[O:22]-[S:20](=[O:19])(=[O:21])-[C:23](-[F:24])(-[F:25])-[F:26]	2	11748,15478
+[n:1]:[c:2](:[n:3])-[S:5](-[C:4])=[O:6]>>[n:1]:[c:2](:[n:3])-[S:5]-[C:4].[O:6]=[S:12](=[O:11])(-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)-[N:19]-2-[O:20]-[C:21]-2-[c:22]:3:[c:10]:[c:9]:[c:8]:[c:7]:[c:23]:3	2	11749,27147
+[N:1](-[C:2]-[C:3](=[O:4])-[N:5])-[C:6]-[c:7]>>[N:1]-[C:2]-[C:3](=[O:4])-[N:5].[C:6](-[c:7])=[O:8]	2	11753,44089
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[c:6]:2:[n:7]:[c:8](-[N:9]):[n:10]:[c:11]:[c:12]:2>>[N:7]-[C:8](-[N:9])=[N:10].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[C:12]#[C:11])=[O:13]	2	11756,11760
+[c:1]:1:[c:2](-[c:3]:2:[n:4]:[c:5](-[N:6]):[n:7]:[c:8]:[c:9]:2):[c:10]:[n:11]:[n:12]:1>>[N:4]=[C:5](-[N:6])-[N:7].[c:1]:1:[c:2](-[C:3](-[C:9]=[C:8]-[N:14](-[C:13])-[C:15])=[O:16]):[c:10]:[n:11]:[n:12]:1	2	11758,42022
+[n:1]:[n:2]:1:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:[c:9]:1:[c:10]>>[N:4]-[C:5].[n:1]:[n:2]:1:[c:3](:[n:6]:[c:7]:[c:8]:[c:9]:1:[c:10])-[S:12]-[C:11]	2	11779,11782
+[c:1]-[C:2](=[O:3])-[c:4](:[n:5]):[c:6]>>[c:1]-[C:2]-[c:4](:[n:5]):[c:6].[O:3]=[Se:8]=[O:7]	2	11803,44823
+[c:1]-[C:2]-1(-[c:3])-[C:4]=[C:5]-[C:6](=[O:7])-[C:8]-[C:9]-1>>[C:5]-[C:6](=[O:7])-[C:8]=[C:9].[c:1]-[C:2](-[c:3])-[C:4]=[O:10]	2	11806,16520
+[O:1]=[C:2]-[c:3](:[c:4]):[c:6]:[c:5]:[o:7]>>[c:3](:[c:4]):[c:6]:[c:5]:[o:7].[O:1](-[C:2](-[Cl:9])-[Cl:10])-[C:8]	2	11810,33573
+[C:1](-[C:2])(-[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)=[O:10]>>[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1.[C:1](-[C:2])(-[O:9])=[O:10]	2	11821,39967
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[O:4]-[C:5](-[c:6])=[O:8].[c:1]-[C:2](-[N:3]-[O:9])=[N:7]	2	11853,22059
+[c:1]:[c:9]:[n:8]:[c:3](:[c:2])-[N:4]-[c:5](:[n:6]):[n:7]>>[N:4]-[c:5](:[n:6]):[n:7].[c:1]:[c:9]:[n:8]:[c:3](:[c:2])-[Cl:10]	2	11866,11867
+[N:1](-[O:2])-[C:3](-[C:4])-[C:5]>>[N:1](-[O:2])=[C:3](-[C:4])-[C:5]	2	11875,49364
+[C:1]=[N:2]>>[C:1]=[N:2]-[O:3]	2	11879,54171
+[c:1]-[S:2]-[C:3](-[C:4](=[O:5])-[O:6])(-[C:7])-[C:8]>>[C:3](-[C:4](=[O:5])-[O:6])(-[C:7])(-[C:8])-[Br:9].[c:1]-[S:2]	2	11887,17200
+[C:1]-[O:2]-[c:3](:[c:4]:[c:6]:[n:5]):[c:7]>>[c:3](:[c:4]:[c:6]:[n:5])(:[c:7])-[O:12]-[C:11]-[C:10]-1-[C:9]-[C:8]-[C:13]-1.[C:1]-[O:2]	2	11933,11934
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N:2].[C:3](=[O:4])(-[O:14]-[c:13]:1:[c:12]:[c:11]:[c:10](-[N+:8](=[O:7])-[O-:9]):[c:17]:[c:16]:1)-[Cl:15]	2	11939,19838
+[C:1](-[N:2])=[C:3](-[c:4](:[c:5]):[c:6])-[C:7](=[O:8])-[N:9]>>[C:1](-[N:2])=[C:3](-[C:7](=[O:8])-[N:9])-[Br:10].[c:4](:[c:5])(:[c:6])-[B:12](-[O:11])-[O:13]	2	11952,52874
+[N:1]-[C:2](=[O:3])-[N:4](-[c:5](:[n:6]:[c:7]:[c:8]):[c:9])-[C:10]>>[N:1]-[C:2](=[O:3])-[N:4]-[C:10].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Br:11]	2	11987,14652
+[c:1]-[O:2]-[C:3]-1=[C:4](-[C:5](=[O:6])-[N:7]-[N:8]=[C:9]-1)-[Cl:10]>>[C:3]-1(=[C:4](-[C:5](=[O:6])-[N:7]-[N:8]=[C:9]-1)-[Cl:10])-[Cl:11].[c:1]-[O:2]	2	11999,12000
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[n:7]):[c:10]>>[c:3]:1(:[c:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[n:7])-[Cl:20].[c:1]:[c:2](:[c:10])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	2	12010,19738
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8](:[n:9]):[c:11](:[n:10]):[n:12]:1>>[c:1]:1:[n:2]:[c:3](:[c:8](:[n:9]):[c:11](:[n:10]):[n:12]:1)-[Cl:13].[c:4](:[c:5]:[n:6])(:[c:7])-[B:15](-[O:14])-[O:16]	2	12026,12027
+[C:1]-[N:2]-[c:3]:1:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[n:11]:1>>[c:3]:1(:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[n:11]:1)-[Cl:12].[C:1]-[N:2]	2	12041,12042
+[N:1]-[C:2](=[N:3])-[C:4]>>[N:1]#[C:2]-[C:4].[N:3]	2	12050,38739
+[O:1]=[C:2](-[N:3])-[N:5](-[C:4])-[c:6](:[c:7]):[c:9]:[n:8]>>[c:6](:[c:7])(:[c:9]:[n:8])-[Br:10].[O:1]=[C:2](-[N:3])-[N:5]-[C:4]	2	12062,12245
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:8]:1-[C:7]>>[C:1]-[C:2](-[N:3]-[N:4])=[O:11].[C:5](-[C:6])(=[N:8]-[C:7])-[O:10]-[C:9]	2	12064,13409
+[O:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6](-[C:7](-[C:8])-[C:9](=[O:10])-[O:13])-[N:11]=[C:12]-1>>[C:7](-[C:8])(-[C:9](=[O:10])-[O:13])-[Br:14].[O:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[n:6]:[n:11]:[c:12]:1	2	12121,12122
+[O:1]=[C:2]-[C:3]-[C:4]>>[O:1]=[C:3]-[C:4].[C:2](-[O:6]-[C:5])-[P+:7](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	2	12142,54214
+[n:1]:[c:2]:1:[c:3](-[N:4]-[C:5]):[n:6]:[c:7](:[c:8]):[c:9]:[n:10]:1>>[N:4]-[C:5].[n:1]:[c:2]:1:[c:3](:[n:6]:[c:7](:[c:8]):[c:9]:[n:10]:1)-[Cl:11]	2	12191,26747
+[C:1]-[N:2](-[C:3]-[C:4](=[C:5](-[Cl:6])-[C:7])-[N:8])-[C:9]>>[C:3](-[C:4](=[C:5](-[Cl:6])-[C:7])-[N:8])-[Br:10].[C:1]-[N:2]-[C:9]	2	12199,14838
+[C:1](=[O:2])(-[c:3])-[O:4]>>[C:1](-[c:3])#[N:5].[O:2]=[S:7](=[O:6])(-[O:8])-[O:9].[O:4]	2	12220,13136
+[O:1]=[C:2](-[N:3])-[c:5]:1:[c:4]:[n:8]:[n:7]:[c:6]:1>>[C:2](#[N:3])-[c:5]:1:[c:4]:[n:8]:[n:7]:[c:6]:1.[O:1]-[O:9]	2	12265,19436
+[c:1]:1(:[c:2](-[C:3]):[c:5](-[C:4]):[n:6]:[c:7]:2:[c:8]:[c:9]:[n:10]:[n:11]:1:2)-[Cl:12]>>[C:1]-1(-[C:2](-[C:3])-[C:5](-[C:4])=[N:6]-[c:7]:2:[c:8]:[c:9]:[n:10]:[n:11]-1:2)=[O:17].[Cl:12]-[P:14](=[O:13])(-[Cl:15])-[Cl:16]	2	12277,35425
+[O:1]=[C:2](-[O:3])-[C:4](-[C:6](-[C:5](-[C:8])=[O:10])-[C:7])=[O:9]>>[C:5](-[C:6]-[C:7])(-[C:8])=[O:10].[O:1]=[C:2](-[O:3])-[C:4](=[O:9])-[O:11]-[C:13]-[C:12]	2	12286,22502
+[N:1](-[C:2]-[c:3](:[n:4]):[c:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]>>[N:1]#[C:2]-[c:3](:[n:4]):[c:5].[C:6]-[C:7](-[C:8])(-[C:9])-[O:10]-[C:11](=[O:12])-[O:20]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]	2	12291,21058
+[c:1]:1(:[n:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[C:7])-[Cl:8]>>[C:6](-[C:7])(=[O:9])-[O:10].[c:1]:1(:[n:2]:[n:3]:[c:4]:[c:5]:[c:11]:1)-[Cl:8]	2	12298,17419
+[N:1]-[C:2](=[O:3])-[O:4]-[C:5](-[O:6]-[C:7](=[O:8])-[C:9])-[C:10]>>[N:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:10])-[Cl:11].[O:6]-[C:7](=[O:8])-[C:9]	2	12309,26396
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6](:[c:7]:[n:9]:[c:10]:2):[n:8]):[n:11]:1-[C:12]>>[N:3]-[c:4]:1:[c:5](:[c:6](:[c:7]:[n:9]:[c:10]:1):[n:8])-[N:11]-[C:12].[C:1]-[C:2](-[O:13]-[C:18])(-[O:14]-[C:15])-[O:16]-[C:17]	2	12310,33217
+[C:1](=[O:2])-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1-[c:8](:[c:9]):[c:10]>>[c:8](:[c:9])(:[c:10])-[Br:11].[C:1](=[O:2])-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1-[B:13](-[O:12])-[O:14]	2	12324,21425
+[c:1]:1:[c:2]:[n:3]:[c:4]:2:[n:5]:[c:6](-[C:7]):[c:8]:[c:9]:2:[c:10]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]):[c:9](-[C:8]#[C:6]-[C:7]):[c:10]:1	2	12347,42501
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[N:7]-[C:8]):[s:9]:1>>[N:7]-[C:8].[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](:[s:9]:1)-[Br:10]	2	12372,26966
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5](=[O:6])-[N:7]>>[C:3](-[C:4])(-[C:5](=[O:6])-[N:7])-[Br:8].[c:1]-[O:2]	2	12395,26017
+[C:1](=[O:2])(-[c:3]:1:[n:4]:[c:5]:[c:6]-2:[c:7](:[c:8]:1-[O:9])-[C:10]=[C:11](-[C:12](=[O:13])-[N:14]-2)-[Br:16])-[O:15]>>[C:1](=[O:2])(-[C:7]-1=[C:6](-[C:5]-[N:4](-[C:21]-[C:19](-[O:18]-[C:17])=[O:20])-[S:22](-[c:3]:2:[c:8]:[c:29]:[c:27](:[c:26]:[c:25]:2)-[C:28])(=[O:23])=[O:24])-[N:14]-[C:12](-[C:11](=[C:10]-1)-[Br:16])=[O:13])-[O:15].[O:9]-[C:30]	2	12431,32890
+[N:1]-[C:2](=[O:3])-[C:4]-[C:5]-[N:6]>>[N:1]-[C:2](=[O:3])-[C:4]-[C:5]#[N:6]	2	12489,25942
+[C:1]-1=[C:2](-[C:3])-[N:4](-[C:5])-[N:6]-[C:7]-1=[O:8]>>[C:1]-1=[C:2](-[C:3])-[N:4]-[N:6]-[C:7]-1=[O:8].[C:5]-[I:9]	2	12497,31474
+[N:1]-[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8]>>[N+:1](-[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8])(=[O:9])-[O-:10]	2	12500,48080
+[C:1]-[C:2](-[c:3](:[c:4]):[c:5])(-[O:6])-[c:7]>>[C:1]-[C:2](=[O:6])-[c:7].[c:3](:[c:4])(:[c:5])-[Mg:9]-[Br:8]	2	12558,51057
+[C:1]-[C:2]-[O:3]-[C:4]>>[O:3]-[C:4].[C:1]-[C:2]-[O:11]-[S:8](-[O:7]-[C:6]-[C:5])(=[O:9])=[O:10]	2	12579,37402
+[N:1]-[C:2](=[O:3])-[C:4](-[O:5])=[C:6]-[N:7]>>[N:1]-[C:2](=[O:3])-[C:4](-[O:5]-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1)=[C:6]-[N:7]	2	12589,54787
+[N:1]-[C:2](=[O:3])-[C:4](-[O:5]-[C:10]-[c:9])=[C:6](-[C:7])-[N:8]>>[N:1]-[C:2](=[O:3])-[C:4](-[O:5])=[C:6](-[C:7])-[N:8].[c:9]-[C:10]-[Br:11]	2	12591,29373
+[C:1]-[C:2]-[C:3](-[C:4])(-[C:5]#[N:6])-[c:7]>>[C:3](-[C:4])(-[C:5]#[N:6])-[c:7].[C:1]-[C:2]-[Cl:8]	2	12598,33396
+[C:1]-[C:2]>>[C:1](-[C:2])-[C:3]	2	12600,19918
+[C:1](-[N:2]-[N:3]-[C:4](-[N:5]-[C:6])=[S:8])=[O:7]>>[C:4](=[N:5]-[C:6])=[S:8].[C:1](-[N:2]-[N:3])=[O:7]	2	12606,12607
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]:[c:8]:[n:7]>>[c:1]-[O:2].[S:3](=[O:4])(=[O:5])(-[c:6]:[c:8]:[n:7])-[Cl:9]	2	12635,45499
+[C:1]-[C:2](=[C:3])-[C:4]-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1]-[C:2](=[C:3])-[C:4]-[Br:8]	2	12701,14667
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[c:9]>>[N:6](-[C:7])-[C:8].[n:1]:[c:2](-[N:3]):[c:9].[C:4](=[O:5])(-[Cl:10])-[O:11]-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1	2	12746,15702
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]=[C:2]-[C:3]-[O:10]-[C:8](-[C:7])=[O:9]	2	12782,13753
+[c:1]:[c:2]:1:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:[n:9]:1>>[N:5](-[C:6])-[C:7].[c:1]:[c:2]:1:[n:3]:[c:4](:[n:8]:[n:9]:1)-[Br:10]	2	12783,32691
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[C:7]):[n:8]:[c:9]:2:[n:10]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](-[N:5]-[C:6](-[C:7])=[O:11]):[c:9](-[N:8]):[n:10]:1	2	12799,28830
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[Br:5].[N:1](-[Si:7](-[C:6])(-[C:8])-[C:9])-[Si:10](-[C:11])(-[C:12])-[C:13]	2	12844,19835
+[O:1]-[C:2](=[O:3])-[C:4]-1-[C:5]-[C:6]-[N:7]-[C:8](-[C:9])-[C:10]-1>>[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8](-[C:9]):[c:10]:1	2	12847,38110
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[n:7]):[o:8]>>[N:5]-[c:6].[c:1](:[c:2](-[C:3](=[O:4])-[O:9]):[n:7]):[o:8]	2	12851,39432
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[O:6]-[c:7]:[c:9]:[n:8]):[n:10]:1>>[O:6]-[c:7]:[c:9]:[n:8].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:10]:1)-[S:12](-[C:11])(=[O:13])=[O:14]	2	12866,51585
+[O:1]=[C:2]-1-[N:3]-[C:4](=[C:5]-[c:6])-[C:7](-[N:8]-1)=[O:9]>>[C:5](-[c:6])=[O:18].[O:1]=[C:2]-1-[N:3]-[C:4](-[C:7](-[N:8]-1)=[O:9])-[P:13](-[O:12]-[C:11]-[C:10])(=[O:14])-[O:15]-[C:16]-[C:17]	2	12868,31214
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[N+:4](-[c:5]:[c:7]:[n:6])(=[O:9])-[O-:10].[C:1]-[C:2](=[O:3])-[Cl:8]	2	12881,13000
+[c:1](-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]):[c:7]:[s:8]>>[N:4](-[C:5])-[C:6].[c:1](-[C:2](=[O:3])-[O:9]):[c:7]:[s:8]	2	12885,16190
+[C:1]-[C:2](-[N:3])-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]#[N:3].[c:4](:[c:5])(:[c:6])-[Li:7]	2	12905,26012
+[O:1]=[C:2]-1-[C:3]=[C:4](-[O:5])-[C:6]=[C:7]-[N:8]-1-[c:9](:[c:10]):[c:12]:[n:11]>>[c:9](:[c:10])(:[c:12]:[n:11])-[Br:13].[O:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[c:6]:[c:7]:[n:8]:1	2	12912,31962
+[O:1]-[B:2](-[c:3](:[c:4]:[n:5]):[c:6])-[O:7]>>[c:3](:[c:4]:[n:5])(:[c:6])-[Br:8].[O:1]-[B:2](-[O:7])-[O:12]-[C:10](-[C:9])-[C:11]	2	12930,28301
+[C:1]-[O:2]-[C:3]=[O:4]>>[C:1](-[O:2]-[C:3]=[O:4])-[C:5]	2	12931,30881
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:10]:1:[n:9]>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:10]:1:[n:9])-[O:11].[c:1]-[N:2]	2	12993,55728
+[c:1]:[c:2](-[C:3]#[C:4]):[n:5]:[n:6]>>[C:3]#[C:4].[c:1]:[c:2](:[n:5]:[n:6])-[Cl:7]	2	12996,27821
+[N:1]-1-[C:2]=[C:3](-[C:4])-[C:5](=[S:6])-[N:7]-[C:8]-1=[O:9]>>[N:1]-1-[C:2]=[C:3](-[C:4])-[C:5](-[N:7]-[C:8]-1=[O:9])=[O:31].[S:6]=[P:19]-1(-[S:18]-[P:16](-[c:15]:2:[c:14]:[c:13]:[c:12](-[O:11]-[C:10]):[c:30]:[c:29]:2)(=[S:17])-[S:28]-1)-[c:20]:3:[c:21]:[c:22]:[c:23](-[O:24]-[C:25]):[c:26]:[c:27]:3	2	13004,36472
+[c:1](:[n:2]):[c:5]:1:[c:4](:[n:3]):[n:13]:[c:12]:[c:6]:1-[c:7](:[c:8]):[c:11]:[c:10]:[n:9]>>[c:1](:[n:2]):[c:5]:1:[c:4](:[n:3]):[n:13]:[c:12]:[c:6]:1-[I:23].[c:7](:[c:8])(:[c:11]:[c:10]:[n:9])-[B:18]-1-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-1)(-[C:21])-[C:22]	2	13052,28466
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[s:6])-[c:7]>>[O:1]=[C:2](-[c:7])-[O:9]-[C:8].[N:3]-[c:4](:[n:5]):[s:6]	2	13056,38690
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[n:9]>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[n:9])-[Cl:10]	2	13064,32909
+[C:1]-[C:11](-[N:3](-[C:2])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])=[O:12]>>[C:1]-[C:11](-[N:3]-[C:2])=[O:12].[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:18]-[C:16](-[O:15]-[C:20](-[C:13])(-[C:14])-[C:19])=[O:17]	2	13069,21161
+[O:1]=[C:2](-[C:3])-[N:5](-[C:4])-[c:6](:[n:7]:[c:8]:[c:9]):[c:10]>>[O:1]=[C:2](-[C:3])-[N:5]-[C:4].[c:6](:[n:7]:[c:8]:[c:9])(:[c:10])-[Br:11]	2	13074,28792
+[O:1]-[c:2]:1:[c:3](:[c:4](-[O:5]):[n:6]:[n:7]:[c:8]:1)-[Cl:9]>>[O:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[N:6](-[N:7]=[C:8]-1)-[C:10]-2-[C:11]-[C:12]-[C:13]-[C:14]-[O:15]-2)-[Cl:9]	2	13091,13092
+[C:1]-[C:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:9].[S:7]-[N:8]>>[C:1]-1-[C:2]-[O:12]-[C:10]-[C:11]-1.[C:3](=[O:4])(-[c:5](:[c:6]):[s:9])-[N:15](-[O:14]-[C:13])-[C:16].[S:7]-[N:8]=[C:17]-[N:18](-[C:19])-[C:20]	2	13102,13123
+[C:1](=[O:2])-[c:3]>>[O:2]-1-[C:6]-[C:5]-[C:4]-[C:7]-1.[C:1](-[c:3])#[N:8]	2	13103,13116
+[c:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[C:3]-1-[O:4]-[C:7]-[C:9]-[C:6]-1.[c:1]:[c:2](:[c:5])-[Br:8]	2	13104,13129
+[C:1]-[N:2]-[C:3]>>[C:1]-1-[O:6]-[C:5]-[C:4]-[C:7]-1.[N:2]-[C:3]	2	13125,13126
+[c:1]:[c:2](:[c:3]:[n:4])-[I:5]>>[c:1]:[c:2](:[c:3]:[n:4])-[N:6].[I:5]	2	13203,14307
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[C:7]#[C:8]-[C:9]>>[C:7]#[C:8]-[C:9].[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[I:10]	2	13223,22590
+[C:1](-[C:2]-[C:3])(-[C:4]#[N:5])-[c:6]>>[C:2](-[C:3])-[Cl:7].[C:1](-[C:4]#[N:5])-[c:6]	2	13243,29581
+[C:1]-[N:2]-[C:3]-[c:4](:[c:5]):[o:6]>>[C:3](-[c:4](:[c:5]):[o:6])=[O:7].[C:1]-[N:2]	2	13258,26748
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[N:6]):[n:7]):[n:8]>>[N:5]-[N:6].[c:1](:[c:2](-[C:3](=[O:4])-[O:9]):[n:7]):[n:8]	2	13267,13268
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[n:6]:1:[c:7]:[c:8]:[c:9]:[n:10]:1>>[n:6]:1:[c:7]:[c:8]:[c:9]:[n:10]:1.[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Br:11]	2	13306,38356
+[C:1]-[C:2](=[C:3]-[C:4]-[O:5])-[C:6]>>[C:1]-[C:2](=[C:3]-[C:4](-[O:5])=[O:7])-[C:6]	2	13325,26272
+[c:1]-[N:3](-[C:2])-[C:4](-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])=[O:7].[c:1]-[N:3]-[C:2]	2	13351,51127
+[C:1]-[C:2](-[O:3])(-[C:4]-[c:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[C:6].[C:4](-[c:5])-[Br:7]	2	13352,18702
+[C:1]-[C:2](-[O:3])(-[C:4])-[C:5]>>[C:2](=[O:3])(-[C:4])-[C:5].[C:1]-[Mg+:6]	2	13367,47554
+[N:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:7]:[n:6])-[c:8]>>[c:4](:[c:5])(:[c:7]:[n:6])-[B:11](-[O:10])-[O:12].[N:1]-[C:2]=[C:3](-[c:8])-[Br:9]	2	13396,41596
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2]#[N:6].[N:3](=[N+:5]=[N-:4])-[Si:8](-[C:7])(-[C:9])-[C:10]	2	13419,34152
+[c:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[c:6](-[C:7]):[c:8](-[C:9]#[N:10]):[c:11](-[O:12]):[n:13]:1>>[S:3]=[C:4]-1-[N:5]-[C:6](-[C:7])=[C:8](-[C:9]#[N:10])-[C:11](=[O:12])-[N:13]-1.[c:1]-[C:2]-[Cl:14]	2	13426,19029
+[c:1]-1:[c:2](:[c:3])-[C:4](-[C:5])(-[C:6])-[C:7]-[N:8]-1>>[C:4](-[C:5])(-[C:6])-[C:7]=[O:10].[c:1](:[c:2]:[c:3])-[N:8]-[N:9]	2	13429,29720
+[c:1]:1:[c:2]:[n:3]:[n:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3](:[n:4]:[n:5]:1)-[C:10]-[c:9]:2:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:2	2	13440,52816
+[Cl:1]-[C:2](-[C:3])-[c:4]>>[C:2](-[C:3])(-[c:4])-[O:9].[Cl:1]-[S:6](-[C:5])(=[O:7])=[O:8]	2	13460,25138
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[N:7]-[C:8])=[C:9]>>[N:7]-[C:8].[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:10])=[C:9]	2	13467,19059
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[n:9]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[c:8]:[n:9]:1)-[I:10].[c:5](:[c:6])(:[c:7])-[B:12](-[O:11])-[O:13]	2	13491,44210
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5]-[c:6]:[c:8]:[n:7]>>[C:1]-[N:2]=[C:3]=[S:4].[N:5]-[c:6]:[c:8]:[n:7]	2	13496,14122
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[O:7]-[C:8]):[s:9]:1>>[O:7]-[C:8].[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](:[s:9]:1)-[Cl:10]	2	13581,19170
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[s:7]:1>>[c:1]-[C:2]#[N:8].[N:3]-[N:4]-[C:5](-[N:6])=[S:7]	2	13594,42353
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8]:[n:9]>>[n:1]:[c:2]:[c:3](:[c:8]:[n:9])-[Br:10].[c:4](:[c:5]:[n:6])(:[c:7])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	2	13595,29279
+[C:1]-[C:2](=[O:3])-[N:4]-1-[C:5]-[C:6]-[c:7]:2:[n:8]:[c:9]:[c:10]:[n:11]:[c:12]:2-[C:13]-1>>[n:4]:1:[c:5]:[c:6]:[c:7]:2:[n:8]:[c:9]:[c:10]:[n:11]:[c:12]:2:[c:13]:1.[C:1]-[C:2](=[O:3])-[O:17]-[C:15](-[C:14])=[O:16]	2	13605,14143
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]:[c:6]:[s:8]):[c:7])-[C:9]>>[c:4](:[c:5]:[c:6]:[s:8])(:[c:7])-[Br:17].[C:1]-[C:2]=[C:3](-[C:9])-[B:12]-1-[O:11]-[C:19](-[C:10])(-[C:14](-[O:13]-1)(-[C:15])-[C:16])-[C:18]	2	13616,13617
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[c:7]:[c:9]:[n:8]):[o:10]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5]-[C:6](-[c:7]:[c:9]:[n:8])=[O:11])-[O:10]	2	13647,56055
+[C:1]-[N:2](-[C:3]-[C:4](=[C:5]-[C:6])-[C:8](-[N:7])=[O:9])-[C:10]>>[C:1]-[N:2]-[C:10].[C:3](-[C:4](=[C:5]-[C:6])-[C:8](-[N:7])=[O:9])-[O:15]-[S:12](-[C:11])(=[O:13])=[O:14]	2	13730,52433
+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]>>[C:3](-[c:4])-[N:13]-1-[C:12]-[C:11]-[N:10](-[c:9]:2:[c:8]:[c:7]:[c:6]:[c:17]:[c:16]:2)-[C:15]-[C:14]-1.[C:1]-[N:2]-[C:5]	2	13872,14285
+[C:1](=[O:2])-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1](=[O:2])-[C:3](=[O:4])-[O:8]	2	13909,13910
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5]:[n:6]:1>>[c:1]-[C:2](=[N:3]-[O:4])-[N:6].[C:5](-[O:8]-[C:7])(-[O:9]-[C:10])-[O:11]-[C:12]	2	13926,43206
+[c:1]-[C:2](-[F:3])-[C:4]>>[c:1]-[C:2](-[C:4])-[O:13].[F:3]-[S:10](-[N:7](-[C:6]-[C:5])-[C:8]-[C:9])(-[F:11])-[F:12]	2	14085,40240
+[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2]#[C:3].[C:4](=[O:5])=[O:6]	2	14086,32243
+[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:[c:7]:1>>[O:1]-[c:2]:1:[c:3]:[c:7]:[c:6]:[c:5]:[c:4]:1	2	14115,32398
+[n:1]:[c:2]:[c:3](-[O:4]-[C:5]-[c:6]):[c:7]:[n:8]>>[n:1]:[c:2]:[c:3](-[O:4]):[c:7]:[n:8].[C:5](-[c:6])-[Br:9]	2	14208,34694
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-1-[C:6]=[N:7]-[c:8]:2:[c:9](-[C:10]-1=[O:11]):[c:12]:[c:13]:[s:14]:2>>[n:5]:1:[c:6]:[n:7]:[c:8]:2:[c:9](:[c:10]:1-[O:11]):[c:12]:[c:13]:[s:14]:2.[N:1]-[C:2](=[O:3])-[C:4]-[Cl:15]	2	14219,17831
+[c:1]:[c:4](:[c:3]:[n:2])-[Cl:5]>>[c:1]:[c:4](:[c:3]:[n:2])-[N:6].[Cl:5]-[Cu:7]	2	14233,33981
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7]-[c:8]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1.[C:7](-[c:8])-[Cl:9]	2	14249,48458
+[C:1]-[C:2](-[O:3])-[c:4](:[c:5]:[n:6]):[n:7]>>[C:2](=[O:3])-[c:4](:[c:5]:[n:6]):[n:7].[C:1]-[Mg:9]-[Br:8]	2	14294,28602
+[O:1]=[C:2]-[c:3](:[c:4]):[c:5]>>[O:1]=[C:2]-[N:8]-1-[C:7]-[C:6]-[O:11]-[C:10]-[C:9]-1.[c:3](:[c:4]):[c:5]	2	14360,14361
+[N:1]-[C:2]-[C:3]>>[N:1]-1-[C:5](=[O:4])-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10](-[C:2]-[C:3]):[c:11]:2-[C:12]-1=[O:13]	2	14367,14368
+[c:1]-[C:2]=1-[N:3]-[C:4]-[C:5]-[N:6]=1>>[c:1]-[C:2]#[N:3].[C:4](-[C:5]-[N:6])-[N:7]	2	14392,42115
+[c:1]:1:[c:2]:[n:3](-[C:4]-[C:5]):[c:6](:[n:7]):[c:8]:1>>[C:4](-[C:5])-[Cl:9].[c:1]:1:[c:2]:[n:3]:[c:6](:[n:7]):[c:8]:1	2	14397,14570
+[s:1]:[c:2]:1:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[n:8]:[c:9]:1>>[s:1]:[c:2]:1:[c:3](:[n:6]:[c:7]:[n:8]:[c:9]:1)-[Cl:10].[N:4]-[C:5]	2	14402,18723
+[n:1]:[c:2]:1:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:[n:9]:1>>[N:4]-[C:5].[n:1]:[c:2]:1:[c:3](:[n:6]:[c:7]:[c:8]:[n:9]:1)-[Cl:10]	2	14413,34718
+[c:1]:1:[n:2]:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3](:[n:6]:[c:7]:[c:8]:1)-[Cl:24].[N:4](-[C:5])-[c:17]:1:[n:16]:[c:15](-[N:14]-[c:13]:2:[c:12]:[c:11](-[O:10]-[C:9]):[n:23]:[n:22]:2):[c:20](:[c:19]:[n:18]:1)-[Cl:21]	2	14478,37030
+[N:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[s:6]:1):[c:7]:[n:8]:[c:9]:[c:10]:2>>[N:1]-[C:2](-[N:3]-[c:4]:1:[c:5]:[c:7]:[n:8]:[c:9]:[c:10]:1)=[S:6]	2	14516,50356
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[N:5]-[c:6].[C:1]-[O:2].[C:3](=[O:4])(-[O:11]-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16]	2	14564,22336
+[C:1](=[O:2])-[c:3](:[c:4]):[c:7]:[c:6]:[n:5]>>[c:3](:[c:4])(:[c:7]:[c:6]:[n:5])-[Br:8].[C:1](=[O:2])-[N:10](-[C:9])-[C:11]	2	14605,32154
+[c:1]-[C:2]-[O:3]-[c:4]:1:[n:5]:[n:6](-[c:7]):[c:8]:[c:9]:1-[C:10]=[O:11]>>[c:1]-[C:2]-[O:12].[O:3]=[C:4]-1-[N:5]-[N:6](-[c:7])-[C:8]=[C:9]-1-[C:10]=[O:11]	2	14616,15990
+[n:1]:[c:10]:1:[c:2]:[c:3](-[N:4](-[C:5])-[C:6]):[c:7]:[c:8]:[n:9]:1>>[N:4](-[C:5])-[C:6].[n:1]:[c:10]:1:[c:2]:[c:3](:[c:7]:[c:8]:[n:9]:1)-[Br:11]	2	14702,14813
+[O:1]=[C:2](-[C:3]-[N:4](-[C:5])-[C:6])-[C:7]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2](-[C:3]-[Br:8])-[C:7]	2	14715,19015
+[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5](-[C:6])-[C:7]):[s:8]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[n:2]:[c:3]:[c:4](:[s:8]:1)-[Br:9]	2	14728,15716
+[C:1]-[N:2](-[C:3](-[c:4])(-[c:5])-[c:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](-[c:4])(-[c:5])(-[c:6])-[Cl:8]	2	14815,43231
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[c:6](:[c:7]:[n:8]):[n:9])-[C:10]>>[C:1]-[N:2]-[C:10].[S:3](=[O:4])(=[O:5])(-[c:6](:[c:7]:[n:8]):[n:9])-[Cl:11]	2	14822,46236
+[C:1]-[N:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[C:8]>>[C:1]-[N:2]-[C:8].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[Br:9]	2	14835,15764
+[C:1]-[O:2]-[C:3](-[c:4])-[c:5]>>[C:1]-[O:2].[C:3](-[c:4])(-[c:5])-[O:6]	2	14858,54531
+[C:1]#[C:2]-[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1]#[C:2]-[C:3]-[C:4]-[O:16]-[S:13](-[c:12]:1:[c:11]:[c:10]:[c:9](-[C:8]):[c:18]:[c:17]:1)(=[O:14])=[O:15]	2	15029,29556
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[N:8](-[C:9])-[C:10]>>[N:8](-[C:9])-[C:10].[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[Cl:11]	2	15046,15593
+[N:1]-[C:2](=[O:3])-[C:4]-[C:5]-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[N:1]-[C:2](=[O:3])-[C:4]-[C:5]-[Br:9]	2	15092,49057
+[C:1]-[C:2]-1=[N:3]-[C:4](-[C:5](=[O:6])-[O:9])-[C:7]-[O:8]-1>>[C:1]-[C:2](-[N:3]-[C:4](-[C:5](=[O:6])-[O:9])-[C:7]-[O:8])=[O:10]	2	15284,15285
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[o:6]:[c:7](-[C:8]):[n:9]:1>>[O:1]-[C:2](=[O:3])-[C:4]-1-[C:5]-[O:6]-[C:7](-[C:8])=[N:9]-1	2	15286,15288
+[c:1]:[c:2](-[C:3]-[S:4]-[c:5]:1:[n:6]:[c:7](:[c:8](:[c:9]):[n:11]:1):[c:10]):[n:12]>>[c:1]:[c:2](-[C:3]-[O:13]):[n:12].[S:4]=[C:5]-1-[N:6]-[c:7](:[c:8](:[c:9])-[N:11]-1):[c:10]	2	15363,41705
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](-[C:6]):[c:8](-[O:9]):[n:10]:1)-[C:7]>>[C:4](-[C:5](-[C:6])-[C:8](=[O:9])-[O:12]-[C:11])(-[C:7])=[O:13].[C:1]-[C:2](-[N:3])=[N:10]	2	15366,41726
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[c:8](:[n:9]):[c:10]:1>>[N:6]-[C:7].[n:1]:1:[c:2]:[c:3](:[c:8](:[n:9]):[c:10]:1)-[I:13].[C:4](=[O:5])(-[C:11])-[O:12]	2	15367,15368
+[c:1]-[O:2]-[C:3]-[c:4](:[c:5]:[s:6]):[n:7]>>[C:3](-[c:4](:[c:5]:[s:6]):[n:7])-[Br:8].[c:1]-[O:2]	2	15387,18358
+[O:1]=[C:2](-[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8](=[C:9]-[O:10])-[C:11]=[O:12]>>[C:6](=[O:7])(-[C:8](=[C:9]-[O:10])-[C:11]=[O:12])-[O:15]-[C:14]-[C:13].[O:1]=[C:2](-[O:3])-[C:4]-[N:5]	2	15396,18284
+[c:1]-[N:2]-1-[C:3]=[N:4]-[c:5]:[c:6](:[s:7])-[C:8]-1=[O:9]>>[C:3](=[N:4]-[c:5]:[c:6](:[s:7])-[C:8](=[O:9])-[O:11]-[C:10])-[N:12](-[C:13])-[C:14].[c:1]-[N:2]	2	15402,32034
+[c:1]-[N:3](-[C:2])-[C:4]-[C:5](-[N:6])=[O:7]>>[c:1]-[N:3]-[C:2].[C:4](-[C:5](-[N:6])=[O:7])-[I:8]	2	15408,40168
+[n:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6](-[C:7]):[n:8]:1):[s:9]>>[n:1]:[c:2](-[C:3](-[C:4]-[C:5]-[C:6](-[C:7])=[O:11])=[O:10]):[s:9].[N:8]	2	15417,15418
+[c:1]-[S:2](=[O:3])(=[O:4])-[n:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1>>[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:10].[n:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1	2	15438,31171
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[C:8](-[N:7])=[O:9]):[c:10]>>[C:4](=[O:5])(-[N:6]-[C:8](-[N:7])=[O:9])-[Cl:11].[n:1]:[c:2](-[N:3]):[c:10]	2	15477,28706
+[n:1]:[c:2]:[c:3]-[N:7](-[C:5](-[N:4])=[O:6])-[C:8]>>[n:1]:[c:2]:[c:3]-[N:7]-[C:5](-[N:4])=[O:6].[C:8]-[I:9]	2	15480,31375
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[n:8]:1)-[Br:9].[c:5](:[c:6])(:[c:7])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	2	15484,28425
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6](-[C:7])-[C:8]):[n:9]:1>>[N:6](-[C:7])-[C:8].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:9]:1)-[S:11](-[C:10])(=[O:12])=[O:13]	2	15552,18893
+[C:1](=[O:2])(-[C:3](=[O:4])-[N:5](-[C:6])-[C:7])-[O:8]>>[N:5](-[C:6])-[C:7].[C:1](=[O:2])(-[C:3](=[O:4])-[Cl:9])-[O:8]	2	15622,39567
+[C:1]#[C:2]-[C:3]-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]#[C:2]-[C:3]-[O:7]	2	15723,17411
+[c:1]-[C:2](-[C:3]-[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[c:1]-[C:2]-1-[C:3]-[O:4]-1	2	15743,23623
+[S:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[Cl:5].[S:1]	2	15790,17645
+[Cl:1]-[C:2]-[c:3](:[c:4]):[n:5]>>[C:2](-[c:3](:[c:4]):[n:5])-[O:10].[Cl:1]-[S:7](-[C:6])(=[O:8])=[O:9]	2	15833,17725
+[c:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1>>[c:4]:1:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1.[c:1]-[C:2](=[O:3])-[Cl:10]	2	15846,48692
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]=[O:6]>>[C:4]-[C:5]=[O:6].[O:1]-[C:2](=[O:3])-[O:8]-[C:7]	2	15848,43126
+[N:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8])-[C:9]=[O:10]>>[N:1]=[C:2](-[C:3](-[C:4])=[O:18])-[C:9]=[O:10].[C:5](-[O:12]-[C:11])(-[O:13]-[C:14])-[N:15](-[C:16])-[C:17].[N:6]-[N:7]-[c:8]	2	15864,43157
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[s:7]>>[N:4](-[C:5])-[C:6].[n:1]:[c:2](-[C:3]=[O:8]):[s:7]	2	15884,32587
+[n:1]:[c:2](-[C:3]=[C:4]-[c:5](:[n:6]):[c:7]):[c:8]:[n:9]>>[n:1]:[c:2](-[C:3]=[O:10]):[c:8]:[n:9].[C:4]-[c:5](:[n:6]):[c:7]	2	15888,15891
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]:[c:7]:[n:6]):[c:8]):[n:9]:[c:10]:[c:11]:1>>[c:1]:1:[n:2]:[c:3](:[n:9]:[c:10]:[c:11]:1)-[Cl:12].[c:4](:[c:5]:[c:7]:[n:6])(:[c:8])-[B:14](-[O:13])-[O:15]	2	15914,46486
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[S:7]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8].[N:6]-[S:7]	2	15920,26844
+[c:1]:1:[c:2](-[N:3](-[C:4])-[c:7]:[c:5]:[n:6]):[c:8]:[c:10](:[n:9]):[n:11]:[c:12]:1>>[N:3](-[C:4])-[c:7]:[c:5]:[n:6].[c:1]:1:[c:2](:[c:8]:[c:10](:[n:9]):[n:11]:[c:12]:1)-[Cl:13]	2	15949,15950
+[c:1]:[n:2]:[c:3](-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1):[n:9]:[c:10]>>[c:1]:[n:2]:[c:3](:[n:9]:[c:10])-[Cl:11].[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1	2	15962,32509
+[c:1]:[c:2](-[C:3]=[O:4]):[n:5]>>[O:4]-1-[C:7]-[C:6]-[O:10]-[C:9]-[C:8]-1.[c:1]:[c:2](-[C:3]):[n:5]	2	15992,15993
+[N:1](=[S:2](=[O:3])(-[C:4])-[C:5])-[C:8](-[C:6])=[O:7]>>[S:2](=[O:3])(-[C:4])-[C:5].[N:1]-[C:8](-[C:6])=[O:7]	2	16001,25171
+[c:1]-[C:2](-[O:3])-[C:4]-[O:5]>>[O-:3]-[N+:7]-1(-[C:6])-[C:8]-[C:9]-[O:10]-[C:11]-[C:12]-1.[c:1]-[C:2]=[C:4].[O:5]=[Os:14](=[O:13])(=[O:15])=[O:16]	2	16021,16023
+[c:1](:[c:2](-[F:3]):[c:4]):[n:5]>>[F:3]-[N+:11]-1-2-[C:10]-[C:9]-[N+:8](-[C:7]-[Cl:6])(-[C:13]-[C:12]-1)-[C:15]-[C:14]-2.[c:1](:[c:2]:[c:4]):[n:5]	2	16029,16032
+[c:1]-[C:2](=[O:3])-[C:4]>>[c:1]-[C:2]-[C:4].[O:3]=[C:6](-[C:5])-[C:7]	2	16042,26323
+[O:1]=[C:2](-[C:3])-[N:5]-[c:6].[C:4]-[O:7]>>[O:1]=[C:2](-[C:3])-[O:7]-[C:4].[N:5]-[c:6]	2	16056,40221
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[c:6]>>[C:1]-[N:2]-[c:6].[C:3](-[C:4])(-[C:5])-[I:7]	2	16073,26933
+[C:1](-[C:2](=[O:3])-[C:4])-[P:5]>>[C:2](=[O:3])(-[C:4])-[O:8]-[C:7]-[C:6].[C:1]-[P:5]	2	16082,33270
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[O:2]-[C:3](=[O:4])-[C:5].[C:1](-[Cl:6])-[Cl:7]	2	16132,35120
+[N:1]-[C:10](-[C:9]-[N:3](-[C:2])-[c:4](:[n:5]:[c:6]:[c:7]):[c:8])=[O:11]>>[N:1]-[C:10](-[C:9]-[N:3]-[C:2])=[O:11].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:12]	2	16183,16185
+[c:1]-[n:2]:1:[c:3](-[C:4]):[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[c:1]-[N:2]-[c:7](:[c:6](-[N:5]-[C:3](-[C:4])=[O:10]):[c:9]):[c:8]	2	16238,53646
+[N:1]-[c:2](:[c:3]):[c:5]:[n:4]>>[c:2](:[c:3])(:[c:5]:[n:4])-[Br:6].[N:1]	2	16242,38332
+[n:1]:[c:2]:[c:3](-[N:4]):[c:5]>>[n:1]:[c:2]:[c:3](:[c:5])-[Br:7].[N:4]=[C:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:6]:[c:19]:1)-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2	2	16243,26051
+[n:1]:[c:2]:[c:3]-[O:4]-[c:5](:[c:6]):[c:8]:[n:7]>>[n:1]:[c:2]:[c:3]-[O:4].[c:5](:[c:6])(:[c:8]:[n:7])-[Br:9]	2	16271,26215
+[c:1](:[n:2]:[c:3](-[S:4]):[c:5]):[c:6]>>[c:1](:[n:2]:[c:3](:[c:5])-[Cl:7]):[c:6].[S-2:4]	2	16304,48111
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[O:6])-[C:7]>>[N:3](-[C:4](=[O:5])-[O:6])-[C:7].[C:1]-[C:2]-[Br:8]	2	16306,25037
+[c:1]:[c:3](:[n+:2])-[C:4]-[O:5]>>[c:1]:[c:3](:[n+:2])-[C:4].[O:5]-[C:6]	2	16313,32938
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2]#[N:3].[N+:4](=[N:5]-[Si:8](-[C:7])(-[C:9])-[C:10])=[N-:6]	2	16377,34135
+[n:1]:1:[c:2](-[I:3]):[c:4]:[c:5]:[c:6]:1>>[n:1]:1:[c:2]:[c:4]:[c:5]:[c:6]:1.[I:3]-[N:11]-1-[C:9](-[C:8]-[C:7]-[C:13]-1=[O:12])=[O:10]	2	16401,27576
+[c:1]-[C:2]=[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[C:2]=[O:7].[C:3]-[c:4](:[n:5]):[c:6]	2	16424,34712
+[c:1]-[C:2]-[N:3]-[C:4]=[O:5]>>[N:3]-[C:4]=[O:5].[c:1]-[C:2]=[O:6]	2	16442,16443
+[c:1]:1(:[n:2]:[c:3](-[c:4]):[c:5]:[c:6]:2:[n:7]:[c:8]:[c:9]:[n:10]:1:2)-[Cl:11]>>[C:1]-1(-[N:2]-[C:3](-[c:4])=[C:5]-[c:6]:2:[n:7]:[c:8]:[c:9]:[n:10]-1:2)=[O:16].[Cl:11]-[P:13](=[O:12])(-[Cl:14])-[Cl:15]	2	16470,35188
+[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[c:6](:[c:7]):[c:8])-[C:9]-1=[O:10]>>[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[C:9]-1=[O:10])-[Br:11].[c:6](:[c:7])(:[c:8])-[B:13](-[O:12])-[O:14]	2	16494,19413
+[c:1]:[c:2](-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-1):[c:10]>>[c:1]:[c:2](:[c:10])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[C:3]-1(=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-1)-[I:20]	2	16495,16496
+[C:1]-[C:2](-[C:3])(-[C:4])-[c:7](:[c:5]):[c:6]>>[C:1]-[C:2](=[C:3])-[C:4].[c:5]:[c:7]:[c:6]	2	16506,37410
+[N:1]-1-[C:2](=[O:3])-[N:4](-[C:5])-[C:6](=[O:7])-[C:8]=[C:9]-1>>[N:1]-1-[C:2](=[O:3])-[N:4]-[C:6](=[O:7])-[C:8]=[C:9]-1.[C:5]-[O:12]-[S:15](=[O:10])(=[O:11])-[O:14]-[C:13]	2	16507,17701
+[C:1]-[c:2]:1:[c:3]:[c:4]:[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:1]-[C:2](-[C:3]=[C:4])=[O:10].[N:5]-[c:6](:[c:7]:[c:8]):[c:9]	2	16513,16522
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6](:[c:7]):[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]=[C:5].[c:6](:[c:7])(:[c:8])-[I:9]	2	16539,30603
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[O:7]>>[C:1]=[O:8].[N:2](-[C:3])-[C:4]-[C:5](=[O:6])-[O:7]	2	16584,16620
+[c:1]:[c:2](-[C:3](-[O:4]-[C:6])=[O:7]):[c:5]>>[C:3]=[O:7].[O:4]-[C:6].[c:1]:[c:2](:[c:5])-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15]	2	16608,16641
+[O:1]-[C:2]-[C:3]-[c:4]>>[O:1]=[C:2].[C:3]-[c:4]	2	16666,16726
+[C:1](-[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1)-[O:7]>>[C:1]=[O:7].[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1	2	16674,16751
+[c:1]:[c:8](-[C:3](-[C:2]-[O:10])(-[C:4](=[O:5])-[N:6])-[c:7]):[n:9]>>[C:2]=[O:10].[c:1]:[c:8](-[C:3](-[C:4](=[O:5])-[N:6])-[c:7]):[n:9]	2	16679,16684
+[O:1]-[C:2]-[C:3](-[C:4])(-[C:5]#[N:6])-[c:7]>>[O:1]=[C:2].[C:3](-[C:4])(-[C:5]#[N:6])-[c:7]	2	16738,16752
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:7]:[c:8]:2:[s:9]:[c:10]:[c:11]:[c:12]:2:[c:13]:1-[c:14]>>[C:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:16].[N:7]-[c:8]:1:[s:9]:[c:10]:[c:11]:[c:12]:1-[C:13](-[c:14])=[O:15]	2	16798,37197
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:3]=[C:4](-[c:5])-[N:6]-[O:7].[C:1]-[C:2](-[O:11]-[C:9](-[C:8])=[O:10])=[O:12]	2	16826,16903
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[n:7]>>[C:1]-[C:2](=[O:3])-[O:11]-[C:9](-[C:8])=[O:10].[N:4]-[c:5](:[n:6]):[n:7]	2	16827,16965
+[c:1](-[O:2]-[C:5](-[C:6])=[O:7]):[c:3]:[n:4]>>[c:1](-[O:2]):[c:3]:[n:4].[C:5](-[C:6])(=[O:7])-[O:11]-[C:9](-[C:8])=[O:10]	2	16868,16877
+[c:1]:[c:2]:1-[N+:3](-[C:4](-[C:5]=[C:6]-[c:7]:1:[c:8])=[O:10])-[O-:9]>>[O:10]=[C:15](-[O:14]-[C:12](-[C:11])=[O:13])-[C:16].[c:1]:[c:2]:1:[n+:3](:[c:4]:[c:5]:[c:6]:[c:7]:1:[c:8])-[O-:9]	2	16886,16956
+[O:1]=[C:2]-1-[N+:3](=[C:4]-[C:5]=[C:6]-[C:7]-1-[c:8])-[O-:15]>>[O:1]=[C:13](-[O:12]-[C:10](-[C:9])=[O:11])-[C:14].[c:2]:1:[n+:3](:[c:4]:[c:5]:[c:6]:[c:7]:1-[c:8])-[O-:15]	2	16897,17020
+[c:1](-[N:2]-[C:9](-[C:8])=[O:10]):[c:3](-[N+:4](=[O:6])-[O-:7]):[c:5]>>[C:8]-[C:9](=[O:10])-[O:14]-[C:12](-[C:11])=[O:13].[N+:4](=[O:6])(-[O-:7])-[O:15].[c:1](-[N:2]):[c:3]:[c:5]	2	16929,16930
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[c:11]>>[C:1]-[C:2](-[O:12]-[C:15](-[C:14])=[O:16])=[O:13].[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[c:11]	2	16962,17025
+[n+:1]:[c:2](:[c:3])-[C:5](-[C:4])-[O:6]-[C:12](=[O:7])-[C:11]>>[O:6](-[C:9](-[C:8])=[O:10])-[C:12](=[O:7])-[C:11].[n+:1]:[c:2](:[c:3])-[C:5]-[C:4]	2	16988,16996
+[C:1]-[C:2](=[O:3])-[n:4]:1:[c:5](:[c:6]):[c:7]:[c:8]:[c:9]:1:[c:10]>>[C:1]-[C:2](=[O:3])-[O:14]-[C:12](-[C:11])=[O:13].[n:4]:1:[c:5](:[c:6]):[c:7]:[c:8]:[c:9]:1:[c:10]	2	16994,17071
+[O:1]=[C:2]-1-[C:3]=[C:4](-[O:5])-[C:6]=[C:7]-[N+:8]-1-[O-:15]>>[O:1]=[C:13](-[O:12]-[C:10](-[C:9])=[O:11])-[C:14].[c:2]:1:[c:3]:[c:4](-[O:5]):[c:6]:[c:7]:[n+:8]:1-[O-:15]	2	16999,17042
+[C:1](-[N:2]-[C:3](-[C:4])=[O:5])-[C:6](=[O:7])-[N:8]>>[C:3](-[C:4])(=[O:5])-[O:12]-[C:10](-[C:9])=[O:11].[C:1](-[N:2])-[C:6](=[O:7])-[N:8]	2	17013,17014
+[C:1]-[C:2](-[C:3])=[O:4]>>[C:3]-[C:9](-[O:8]-[C:6](-[C:5])=[O:7])=[O:10].[C:1]-[C:2](=[O:4])-[O:11]	2	17026,17029
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[c:6](:[n:7]):[c:8])-[C:9]-1(-[Br:10])-[C:11](=[O:12])-[N:13]-[C:14]-1>>[C:1]-[C:2](=[O:3])-[O:18]-[C:16](-[C:15])=[O:17].[C:9]-1(-[Br:10])-[C:11](=[O:12])-[N:13]-[C:14]-1.[O:4]=[C:5]-[c:6](:[n:7]):[c:8]	2	17061,17062
+[c:1]-[C:2](-[C:3]#[C:4]-[C:6])-[O:5]>>[C:3]#[C:4]-[C:6].[c:1]-[C:2]=[O:5]	2	17143,43810
+[c:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[C:6]-[O:7]-1>>[c:1]-[C:2](-[C:3]#[C:4]-[C:6]-[O:7])=[O:5]	2	17145,53669
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[n:8]):[c:9]:[n:10]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:11]):[c:9]:[n:10].[N:5]-[c:6](:[n:7]):[n:8]	2	17146,35957
+[c:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1>>[c:1]-[C:2]-[Br:8].[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1	2	17161,48679
+[c:1]-1:[c:2]-[N:3]-[C:4](=[O:5])-[C:6](-[C:7])(-[C:8])-[O:9]-1>>[C:4](=[O:5])(-[C:6](-[C:7])(-[C:8])-[Br:11])-[Br:10].[c:1](:[c:2]-[N:3])-[O:9]	2	17170,17171
+[C:1]-[N:2]-[C:3](-[C:4](=[O:5])-[O:6])-[C:7]>>[C:3](-[C:4](=[O:5])-[O:6])(-[C:7])=[O:8].[C:1]-[N:2]	2	17174,30214
+[C:1]-[C:2]-[O:3]-[C:4](=[O:5])-[C:6]>>[C:1]-[C:2]-[Br:7].[O:3]-[C:4](=[O:5])-[C:6]	2	17185,44144
+[N:1]-1-[C:2](-[C:3]-[c:4](:[n:5]):[c:6]-1)=[O:7]>>[N+:1](-[c:6]:[c:4](-[C:3]-[C:2](=[O:7])-[O:9]-[C:8]):[n:5])(=[O:10])-[O-:11]	2	17195,17196
+[C:1]-[C:2]-1(-[C:3])-[O:4]-[B:5]-[O:6]-[C:7]-1(-[C:8])-[C:9]>>[C:1]-[C:2](-[C:3])(-[C:7](-[C:8])(-[C:9])-[O:11])-[O:10].[O:4]-[B:5]-[O:6]	2	17210,17211
+[c:1](-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]):[c:7]:[s:8]>>[c:1](-[N:2]-[C:6]):[c:7]:[s:8].[C:3](=[O:4])(-[c:5])-[Cl:9]	2	17280,49890
+[c:1](-[N:2]):[c:3]:[s:4]>>[c:1](-[N:2]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]):[c:3]:[s:4]	2	17286,24200
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[C:1]-[C:2](-[C:8]-[C:6]#[N:7])=[O:9].[N:4]-[c:5].[N:3](=[O:10])-[O:11]	2	17303,26427
+[C:1]-[C:2](=[O:3])-[O:4]-[c:5]:[c:7]:[n:6]>>[C:1]-[C:2](=[O:3])-[Cl:8].[O:4]-[c:5]:[c:7]:[n:6]	2	17345,26399
+[N:1]-[c:2]:[c:4]:[n:3]>>[N:1](-[c:2]:[c:4]:[n:3])-[C:9](-[C:6](-[C:5])(-[C:7])-[C:8])=[O:10]	2	17402,17559
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:7](-[C:4](-[C:3])(-[C:5])-[C:6])=[O:8]	2	17427,17568
+[n:1]:1:[c:2]:[c:3]:[c:4](-[N:5](-[C:6])-[C:8](-[C:7])=[O:9]):[n:10]:1>>[n:1]:1:[c:2]:[c:3]:[c:4](:[n:10]:1)-[I:11].[N:5](-[C:6])-[C:8](-[C:7])=[O:9]	2	17428,52617
+[c:1]:1:[c:2]:[n:3]:[n:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3](:[n:4]:[n:5]:1)-[C:13]-[O:12]-[C:10](-[C:7](-[C:6])(-[C:8])-[C:9])=[O:11]	2	17431,17577
+[C:1]-[C:2](-[C:3])-[C:4](=[O:5])-[O:6]>>[C:1]-[C:2](-[C:3])(-[C:4](=[O:5])-[O:6])-[C:8](=[O:7])-[O:9]	2	17435,44176
+[C:1]-[c:2]:1:[c:3](-[N:4]):[n:5]:[n:6]:[c:7]:1-[N:8]>>[C:1]-[C:2](-[C:3]#[N:4])-[C:7]#[N:8].[N:5]-[N:6]	2	17441,38413
+[C:1](-[N:2]-[S:3](-[C:4])(=[O:5])=[O:6])-[C:7](=[O:8])-[O:9]>>[C:1](-[N:2])-[C:7](=[O:8])-[O:9].[S:3](-[C:4])(=[O:5])(=[O:6])-[Cl:10]	2	17456,44072
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6]):[c:7](-[N:8]):[n:9]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5]-[C:6])-[N:9].[C:7](#[N:8])-[Br:10]	2	17462,29436
+[n:1]:[c:11]:[c:3](:[n:2])-[C:4](=[O:5])-[N:6]-[C:7]-[C:8](=[O:9])-[N:10]>>[N:6]-[C:7]-[C:8](=[O:9])-[N:10].[n:1]:[c:11]:[c:3](:[n:2])-[C:4](=[O:5])-[O:12]	2	17503,23109
+[C:1]-[C:7](-[N:3](-[c:2])-[C:4]-[C:5]=[O:6])=[O:8]>>[C:1]-[C:7](-[N:3]-[c:2])=[O:8].[C:4](-[C:5]=[O:6])-[Br:9]	2	17508,23666
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:2:[c:7]:[n:8]:[c:9]:[c:10]:[n:11]:1:2>>[C:1]-[C:2](-[N:3]-[C:4](-[c:5])-[c:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:[n:11]:1)=[O:12]	2	17523,55911
+[n:1]:[c:2]:[c:3]:[c:4](-[O:5]-[c:6]):[c:7]>>[n:1]:[c:2]:[c:3]:[c:4](:[c:7])-[Br:8].[O:5]-[c:6]	2	17556,25697
+[N:1]-[c:2](:[n:3]):[n:4]>>[N:1](-[c:2](:[n:3]):[n:4])-[C:9](-[C:6](-[C:5])(-[C:7])-[C:8])=[O:10]	2	17563,26987
+[C:1]-[O:2].[O:3]-[C:4](-[C:5])(-[C:6])-[C:7]>>[C:1]-[O:2]-[C:4](-[O:3])(-[C:6])-[C:7].[C:5]-[Mg:9]-[I:8]	2	17584,40585
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](:[n:9]:1)-[O:10]>>[C:1]-[C:2]-1=[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:10])-[O:11]-1.[N:9]	2	17614,40818
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:7](-[C:6])=[O:8]>>[C:1]-[C:2](=[O:3])-[Cl:9].[N:4](-[C:5])-[C:7](-[C:6])=[O:8]	2	17633,17634
+[N:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:[n:7]:1>>[c:2]:1(:[n:3]:[c:4]:[c:5]:[c:6]:[n:7]:1)-[S:9]-[C:8].[N:1]	2	17672,27066
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2]#[N:3].[N+:4](=[N:5]-[Sn:8](-[C:7])(-[C:9])-[C:10])=[N-:6]	2	17703,34253
+[n:1]:[c:2](-[N:3]-1-[N:4]-[C:5]=[C:6]-[C:7]-1=[O:8]):[c:9]>>[n:1]:[c:2](-[N:3]-[N:4]):[c:9].[C:5](=[C:6]-[C:7](=[O:8])-[O:12]-[C:11]-[C:10])-[N:13](-[C:14])-[C:15]	2	17723,31992
+[n:1]:[c:2]:[c:3]-[C:4]-[O:5]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:6]	2	17740,39091
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]-[O:4].[O:3]-[Cl:5]	2	17745,41612
+[C:1]=[C:2]-[C:3]-[c:4](:[c:5]:[c:7]:[n:6]):[c:8]-[O:9]>>[C:1]=[C:2]-[C:3]-[O:9]-[c:8]:[c:4]:[c:5]:[c:7]:[n:6]	2	17748,51437
+[c:1](:[n:2]:[c:3](-[N:4]-[C:5]):[c:6]:[c:7]:[n:8]):[c:9]>>[N:4]-[C:5].[c:1](:[n:2]:[c:3](:[c:6]:[c:7]:[n:8])-[Cl:10]):[c:9]	2	17769,50199
+[c:1]:1:[n:2]:[c:3](:[c:4]):[n:6](:[n:5]):[c:7](-[O:8]-[C:9]):[c:10]:1>>[O:8]-[C:9].[c:1]:1:[n:2]:[c:3](:[c:4]):[n:6](:[n:5]):[c:7](:[c:10]:1)-[Cl:11]	2	17801,27640
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1.[c:1]:[c:2](:[c:9])-[Mg:11]-[Cl:10]	2	17822,48974
+[c:1]:1:[n:2]:[n:3]:[c:4]:2-[C:5]-[N:6]-[C:7]-[C:8]-[n:9]:1:2>>[c:1]:1:[n:2]:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[c:8]:[n:9]:1:2	2	17827,57320
+[N:1](-[C:2](-[C:3])-[C:5](-[N:4])=[O:6])=[N+:8]=[N-:7]>>[C:2](-[C:3])(-[C:5](-[N:4])=[O:6])-[Br:9].[N-:1]=[N+:8]=[N-:7]	2	17834,47922
+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-1-[C:8]-[c:9]>>[C:8](-[c:9])-[Br:10].[C:1]-[C:2]=1-[N:3]-[N:4]-[C:5](=[O:6])-[N:7]=1	2	17869,17871
+[C:1]-[N:2]-[c:3]:1:[n:4]:[s:5]:[c:6]:[c:7]:1>>[c:3]:1(:[n:4]:[s:5]:[c:6]:[c:7]:1)-[Cl:8].[C:1]-[N:2]	2	17875,42117
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1>>[c:1]:1:[c:2]:[n:3](:[c:4]:[c:5]:1)-[S:11](-[c:10]:2:[c:9]:[c:8]:[c:7](-[C:6]):[c:15]:[c:14]:2)(=[O:12])=[O:13]	2	17889,55468
+[c:1]:[c:2](-[N:3]):[n:4]>>[c:1]:[c:2](-[N:3]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1):[n:4]	2	17903,56403
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]):[n:6]>>[O:5]-[C:8](-[C:7])(-[C:9])-[C:10].[c:1]:[c:2](-[C:3]=[O:4]):[n:6]	2	17922,17987
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[N:6]-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[O:9]-[C:10](-[C:11])(-[C:12])-[C:13].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:7](=[O:8])-[O:14].[N:6](=[N+:16]=[N-:15])-[P:17](=[O:18])(-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1)-[c:25]:2:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:2	2	17932,17984
+[C:1](-[C:2](-[O:3])-[c:4])-[O:5]>>[O:3]-[C:7](-[C:6])(-[C:8])-[C:9].[C:1]=[C:2]-[c:4].[O:5]	2	17935,17941
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[N:6]-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]>>[C:7]-[C:8](-[C:9])(-[C:10])-[O:11].[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:12](=[O:13])-[O:14].[N:6](=[N+:16]=[N-:15])-[P:17](=[O:18])(-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1)-[c:25]:2:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:2	2	17952,17955
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:9]:1:[c:10]:[s:11]:[c:12]:[c:13]:1>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5].[C:6](=[O:7])(-[c:9]:1:[c:10]:[s:11]:[c:12]:[c:13]:1)-[O:14].[N:8](=[N+:16]=[N-:15])-[P:17](=[O:18])(-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1)-[c:25]:2:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:2	2	17956,17972
+[C:1](-[C:2](=[O:3])-[C:4])-[C:5]=[O:6]>>[C:1](-[C:2](=[O:3])-[C:4])(-[C:5]=[O:6])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	2	18003,21499
+[O:1]-[N:2]=[C:3](-[C:4](=[O:5])-[O:7])-[c:6]>>[O:1]-[N:2].[C:3](-[C:4](=[O:5])-[O:7])(-[c:6])=[O:8]	2	18030,47032
+[c:1]:1:[c:2]:[n:3](-[S:4](=[O:5])(=[O:6])-[C:7]):[c:8]:[c:9]:1>>[c:1]:1:[c:2]:[n:3]:[c:8]:[c:9]:1.[S:4](=[O:5])(=[O:6])(-[C:7])-[Cl:10]	2	18096,41360
+[C:1](=[O:2])(-[C:3]-[N:4](-[c:5])-[S:6])-[O:7]>>[N:4](-[c:5])-[S:6].[C:1](=[O:2])(-[C:3]-[Br:8])-[O:7]	2	18109,30653
+[O:1]=[C:2](-[C:3]-[N:4](-[C:5])-[C:7](-[N:6])=[O:8])-[O:9]>>[O:1]=[C:2](-[C:3]-[Br:10])-[O:9].[N:4](-[C:5])-[C:7](-[N:6])=[O:8]	2	18131,30678
+[O:1]=[C:2](-[O:3])-[C:4]-[N:5](-[C:6](=[O:7])-[N:8])-[c:9]>>[O:1]=[C:2](-[O:3])-[C:4]-[Br:10].[N:5](-[C:6](=[O:7])-[N:8])-[c:9]	2	18158,18634
+[C:1]-[C:2]-1=[C:3]-[C:4]=[C:5](-[N:6]-[C:15](=[O:14])-[O:16])-[C:7](=[O:8])-[N:9]-1-[C:10]-[C:11](=[O:12])-[O:13]>>[C:10](-[C:11](=[O:12])-[O:13])-[Br:17].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[N:6]-[C:15](=[O:14])-[O:16]):[c:7](-[O:8]):[n:9]:1	2	18162,18164
+[C:1]-[C:2](-[O:5]-[N:4]=[C:3])=[O:6]>>[C:1]-[C:2](=[O:6])-[O:7].[C:3]=[N:4]-[O:5]	2	18182,23589
+[O:1]=[C:2](-[C:3]-[c:4](:[c:5]:[n:6]):[c:7])-[O:8]>>[O:1]=[C:2](-[C:3]-[Zn+:10])-[O:8].[c:4](:[c:5]:[n:6])(:[c:7])-[Br:9]	2	18331,18332
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]=[N:6]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5]=[N:6])-[Cl:7]	2	18421,19720
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:1):[c:8]:[c:9]:[c:10]:[n:11]:2>>[C:1]-[C:2](-[C:7])=[O:12].[N:3]-[c:4]:1:[c:5](-[C:6]=[O:13]):[c:8]:[c:9]:[c:10]:[n:11]:1	2	18460,20036
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[c:8]:1:[s:9]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1:[s:9])-[Cl:10].[O:6](-[c:7])-[c:21]:1:[c:20]:[c:19]:[n:18]:[c:17]:2:[c:16]:[c:15](-[c:14]:3:[s:13]:[c:12]:[c:11]:[n:24]:3):[s:23]:[c:22]:1:2	2	18510,41355
+[C:1]-[C:2](-[C:3]-[Cl:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[C:2]=[C:3]-[Cl:4].[c:5](:[c:6])(:[c:7])-[Br:8]	2	18525,21874
+[C:1]-[N:2]-[c:3]:[c:4]:[n:5]>>[C:1]-[N:2](-[c:3]:[c:4]:[n:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	2	18531,21927
+[C:1]-[C:2](-[C:3])-[C:5](-[N:4])=[O:6]>>[C:2](-[C:3])-[C:5](-[N:4])=[O:6].[C:1]-[I:7]	2	18538,31411
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[C:1]-[C:2](=[O:3])-[O:14].[N:4](-[C:5])(-[C:6])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	2	18548,19478
+[O:1]=[C:2](-[C:3]-[N:5]-[C:4])-[O:6]>>[O:1]=[C:2](-[C:3]-[N:5](-[C:4])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13])-[O:6]	2	18557,22335
+[c:1]-[N:2](-[C:3])-[c:4]:[c:6]:[n:5]>>[c:1]-[N:2]-[c:4]:[c:6]:[n:5].[C:3]-[I:7]	2	18613,31752
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[s:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[s:8]:1)-[Br:9].[N:5](-[C:6])(-[C:7])-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16]	2	18683,18819
+[N:1]#[C:2]-[C:3]-[O:4]-[C:5]>>[O:4]-[C:5].[N:1]#[C:2]-[C:3]-[Br:6]	2	18693,18776
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]>>[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8].[C:1]-[C:2]-[O:9]-[S:11](-[C:10])(=[O:12])=[O:13]	2	18695,19587
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]>>[n:1]:[c:2]:[c:3]-[C:4]#[N:6].[O:5]	2	18780,42926
+[O:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:5](-[C:6])(=[O:8])-[O:9].[O:1]-[C:2](-[N:3]-[O:4])=[N:7]	2	18860,38470
+[C:1]-[C:2]-[C:3](-[C:4])-[O:5]>>[C:1]-[C:2]=[C:3]-[C:4].[O:5]-[O:6]	2	18877,47318
+[N:1]#[C:2]-[c:3]:1:[c:4](:[n:5]):[c:6]:[c:7]:[c:8]:[n:9]:1>>[c:3]:1(:[c:4](:[n:5]):[c:6]:[c:7]:[c:8]:[n:9]:1)-[Cl:10].[N:1]#[C:2]	2	18911,41037
+[c:1]:1:[c:2]:[n:3](-[S:4](-[C:5])(=[O:6])=[O:7]):[c:8](:[c:9]):[c:10]:1>>[c:1]:1:[c:2]:[n:3]:[c:8](:[c:9]):[c:10]:1.[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:11]	2	18919,44684
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[C:6]#[N:7]>>[C-:6](#[N:7])~[Cu+2:11]~[C-:10]#[N:9].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[I:8]	2	18945,41396
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]#[N:8].[O:3](-[C:5]-[C:4])-[C:6]-[C:7]	2	18951,24799
+[C:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2:[o:10]:1>>[C:1]-[C:2]#[C:3].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1-[O:10])-[I:11]	2	18958,19011
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:1]-[C:2](=[N:3]-[O:9])-[N:7].[O:4]-[C:5](-[C:6])=[O:8]	2	19013,54717
+[C:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1:[n:8]>>[C:1]-[C:2]-[Br:9].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1:[n:8]	2	19033,29622
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[N:6]-[c:7](:[n:8]):[c:10]:[n:9]):[c:11]:1>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:11]:1)-[Cl:12].[N:6]-[c:7](:[n:8]):[c:10]:[n:9]	2	19089,53713
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[c:7](:[c:8]):[n:11]:[c:10]:[c:9]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1.[c:7](:[c:8])(:[n:11]:[c:10]:[c:9])-[Cl:12]	2	19104,19245
+[N:1]-[C:2]-1(-[C:3])-[C:4]-[C:5]-1>>[N:1]-[C:2](-[C:3])=[O:8].[C:4]-[C:5]-[Mg:7]-[Br:6]	2	19111,22302
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[N:6])-[c:7]>>[N:3](-[C:4](=[O:5])-[N:6])-[c:7].[C:1]-[C:2]-[Cl:8]	2	19128,54949
+[c:1]-[S:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[O:6].[c:1]-[S:2]	2	19188,38852
+[C:1]-[C:2](-[C:3])-[O:4]-[C:5](=[O:6])-[N:7]>>[C:1]-[C:2](-[C:3])(-[O:4]-[C:5](=[O:6])-[N:7])-[C:8]	2	19195,19331
+[O:1]=[C:2]-1-[C:3]-[C:4]-[C:5](-[c:6])=[N:7]-[N:8]-1>>[O:1]=[C:2](-[C:3]-[C:4]-[C:5](-[c:6])=[O:12])-[O:11]-[C:10]-[C:9].[N:7]-[N:8]	2	19212,42295
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:[c:9]:1>>[N:5](-[C:6])(-[C:7])-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:8]:[c:9]:1)-[Cl:17]	2	19310,23053
+[C:1]-[C:2](=[O:3])-[N:4]>>[C:2](=[O:3])(-[N:4])-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8].[C:1]-[C:11](=[O:10])-[Cl:12]	2	19312,24115
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]:[c:7]:[o:8]>>[c:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[c:6]:[c:7]:[o:8])-[Cl:9]	2	19324,25723
+[c:1]:1:[c:2](-[c:3](:[c:4]:[n:5]):[c:6]):[c:7]:[n:8]:[n:9]:1>>[c:1]:1:[c:2](:[c:7]:[n:8]:[n:9]:1)-[Br:10].[c:3](:[c:4]:[n:5])(:[c:6])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	2	19326,22363
+[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:9]	2	19390,32264
+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8]:[n:9]:1>>[c:4](:[c:5]:[n:6])(:[c:7])-[Cl:19].[n:1]:1:[c:2]:[c:3](:[c:8]:[n:9]:1)-[B:14]-2-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-2)(-[C:17])-[C:18]	2	19500,28515
+[O:1]-[C:2](=[C:3]-[c:4](:[n:5]):[c:6])-[C:7]=[O:8]>>[O:1]-[C:2]-[C:7]=[O:8].[C:3](-[c:4](:[n:5]):[c:6])=[O:9]	2	19511,19523
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7](:[c:8]):[o:10]:1):[c:9]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:11].[C:5](-[c:6](:[c:7](:[c:8])-[O:10]):[c:9])=[O:12]	2	19555,29632
+[c:1](:[n:2]:[c:3](-[c:4](:[c:5]:[c:6]:[n:7]):[c:8]):[c:9]):[c:10]>>[c:1](:[n:2]:[c:3](:[c:9])-[Cl:20]):[c:10].[c:4](:[c:5]:[c:6]:[n:7])(:[c:8])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	2	19559,28355
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:[c:7]:1:[n:6]>>[n:2]:1:[c:3]:[n:4]:[c:5]:[c:7]:1:[n:6].[C:1]-[I:8]	2	19582,31586
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[C:6])-[C:7]):[n:8]:1>>[N:5](-[C:6])-[C:7].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:8]:1)-[Cl:9]	2	19625,23617
+[c:1]:[c:10]:[n:9]:[c:3](:[c:2])-[C:4](-[C:5](=[O:6])-[N:7])-[c:8]>>[c:1]:[c:10]:[n:9]:[c:3](:[c:2])-[Cl:11].[C:4](-[C:5](=[O:6])-[N:7])-[c:8]	2	19790,23129
+[C:1](=[N:2])-[N:3]>>[C:1](=[N:2])-[N:3]-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]	2	19842,20144
+[C:1]-[C:2]-1-[C:3](=[O:4])-[N:5]-[C:6]-[C:7](=[O:8])-[N:9]-1-[C:10]>>[C:1]-[C:2]=[O:11].[C:3](=[O:4])(-[N:5]-[C:6]-[C:7](=[O:8])-[O:17])-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15].[N:9]-[C:10]	2	19865,19866
+[C:1](-[C:2]-[N:3])=[C:4]>>[C:1](-[C:2]-[N:3]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11])=[C:4]	2	19939,20433
+[c:1]-[C:2]-[C:3](-[C:4])-[C:6](-[O:5])=[O:7]>>[C:3](-[C:4])-[C:6](-[O:5])=[O:7].[c:1]-[C:2]-[I:8]	2	19945,23336
+[C:1]-[C:2]=[C:3](-[C:4]-[O:5])-[C:6]>>[C:1]-[C:2]=[C:3](-[C:4](-[O:5])=[O:7])-[C:6]	2	19957,56590
+[C:1](-[C:2]=[C:3]-[C:4])-[C:6](-[N:5])=[O:7]>>[C:1](-[C:2]=[C:8])-[C:6](-[N:5])=[O:7].[C:3](-[C:4])=[C:9]	2	19968,23474
+[n:1]:[c:2]:[c:3](-[C:4]-[O:5]):[s:6]>>[n:1]:[c:2]:[c:3](-[C:4]=[O:5]):[s:6]	2	20005,24009
+[C:1]-[C:2](-[C:3])-[O:4]-[C:5](=[O:6])-[C:7]>>[C:1]-[C:2](-[C:3])-[C:5](=[O:6])-[C:7].[O:4]-[O:10]-[C:9](=[O:8])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15](-[Cl:16]):[c:17]:1	2	20142,36699
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[S:11](=[O:9])-[C:10]	2	20209,23532
+[c:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[n:9]:[c:10]:1:2>>[c:1]-[N:2]-[c:10]:1:[c:5](-[N:4]):[c:6]:[n:7]:[c:8]:[n:9]:1.[C:3](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19]	2	20255,31065
+[C:1]-[N:2]-[C:3](=[N:4])-[N:5]-[C:6]=[O:7]>>[C:1]-[N:2].[C:3](=[N:4])(-[N:5]-[C:6]=[O:7])-[S:9]-[C:8]	2	20444,44104
+[c:1]:1:[c:2]:2-[C:3](=[O:4])-[N:5](-[C:6]-[C:7])-[c:8](:[c:9](:[c:10])-[c:12]:2:[n:13]:[n:14]:1):[c:11]>>[C:6](-[C:7])-[Br:15].[c:1]:1:[c:2]:2:[c:3](-[O:4]):[n:5]:[c:8](:[c:9](:[c:10]):[c:12]:2:[n:13]:[n:14]:1):[c:11]	2	20469,20472
+[n:1]:[c:2]:[c:3](-[C:4](-[N:5])=[O:10]):[s:6]>>[n:1]:[c:2]:[c:3](-[C:4](-[O:9]-[C:8]-[C:7])=[O:10]):[s:6].[N:5]	2	20618,40899
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[C:10]=[C:11]-[Cl:12])-[c:13]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:13].[C:9](-[C:10]=[C:11]-[Cl:12])-[Cl:14]	2	20648,20818
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1-[C:9]-[C:10](=[O:11])-[O:12]):[c:7]>>[N:3]-[c:4](:[c:5](:[c:6])-[N:8]-[C:9]-[C:10](=[O:11])-[O:12]):[c:7].[C:1]-[C:2]=[O:13]	2	20732,21720
+[n:1]:[c:2]:[c:3](-[C:4](-[C:5])=[O:6]):[c:7]:[n:8]>>[n:1]:[c:2]:[c:3](-[C:4](-[C:5])-[O:6]):[c:7]:[n:8]	2	20744,38408
+[n:1]:[c:2](-[N:3](-[C:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]):[c:12]>>[n:1]:[c:2](-[N:3]-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]):[c:12].[C:4]-[I:13]	2	20815,25116
+[n:1]:[c:2]:[c:3](-[C:4](-[C:5])-[O:6]):[c:7]:[n:8]>>[n:1]:[c:2]:[c:3](-[C:4]=[O:6]):[c:7]:[n:8].[C:5]-[Mg:10]-[Br:9]	2	20824,38619
+[C:1]-[N:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14]>>[N:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14].[C:1]-[I:15]	2	20836,24032
+[N:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8]>>[N:1]-[C:2](=[O:3])-[O:33]-[C:32]-[C:31]-1-[c:22]:2:[c:21]:[c:20]:[c:19]:[c:24]:[c:23]:2-[c:25]:3:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]-1:3.[O:4](-[C:5](-[C:6])(-[C:7])-[C:8])-[C:17](-[O:16]-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15])=[O:18]	2	20907,21132
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9]>>[C:1]-[N:2]-[S:21](-[c:20]:1:[c:15](-[N+:13](=[O:12])-[O-:14]):[c:16]:[c:17]:[c:18]:[c:19]:1)(=[O:22])=[O:23].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:11]-[C:29](=[O:10])-[O:28]-[C:25](-[C:24])(-[C:26])-[C:27]	2	20918,20920
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:9](=[O:10])-[O:22]-[C:20](-[O:19]-[C:16](-[C:15])(-[C:17])-[C:18])=[O:21].[C:6](=[O:7])(-[N:8])-[C:12](-[F:11])(-[F:13])-[F:14]	2	20971,20973
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[n:8]:1:[c:9]:[c:10]:[c:11](:[n:12]):[c:14]:1:[c:13]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:22]-[C:20](-[O:19]-[C:16](-[C:15])(-[C:17])-[C:18])=[O:21].[n:8]:1:[c:9]:[c:10]:[c:11](:[n:12]):[c:14]:1:[c:13]	2	20988,21107
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]):[n:11]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:19]-[C:17](-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15])=[O:18].[n:1]:[c:2](-[N:3]):[n:11]	2	21030,21356
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[O:9]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:17]-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[N:8]-[O:9]	2	21040,21326
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:8]-[c:9]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:17]-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[O:8]-[c:9]	2	21045,21049
+[C:1]#[C:2]-[C:3]-[O:4]>>[C:1]#[C:2]-[C:3]-[O:4]-[Si:8](-[C:5])(-[C:6])-[C:7]	2	21364,34168
+[C:1]#[C:2]-[C:3]-[O:4]-[C:5]>>[C:5]-[I:6].[C:1]#[C:2]-[C:3]-[O:4]	2	21365,31360
+[n:1]:[c:9]:[c:3](:[n:2])-[S:4](=[O:5])(=[O:6])-[N:7]-[C:8]>>[N:7]-[C:8].[n:1]:[c:9]:[c:3](:[n:2])-[S:4](=[O:5])(=[O:6])-[Cl:10]	2	21405,46235
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[n:7]:[n:6]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[n:7]:[n:6])-[I:8]	2	21415,55645
+[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1>>[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	2	21445,24351
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[o:7]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[o:7]:1)-[Cl:8].[c:1]-[N:2]	2	21460,45701
+[c:1](-[N:2]-[C:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1):[c:9]:[n:10]>>[C:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)=[O:11].[c:1](-[N:2]):[c:9]:[n:10]	2	21478,27737
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[o:6]>>[c:1]-[O:2].[C:3](-[c:4](:[n:5]):[o:6])-[Cl:7]	2	21482,34448
+[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:6]):[n:7]:[c:8](-[c:9]):[n:10]:1>>[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:6])=[N:7]-[O:12])=[O:11].[C:8](-[c:9])-[N:10]	2	21492,38102
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[n:6](:[n:7]):[c:9](:[c:8]):[n:10]:[c:11]:1>>[c:3](:[c:4])(:[c:5])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:1]:1:[c:2](:[n:6](:[n:7]):[c:9](:[c:8]):[n:10]:[c:11]:1)-[Cl:21]	2	21543,24249
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]-[O:8]-[S:5](-[C:4])(=[O:6])=[O:7].[N-:3]=[N+:10]=[N-:9]	2	21584,48049
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[C:1]-[C:2](-[O:7]-[N:6]=[C:4](-[N:3])-[C:5])=[O:8]	2	21619,23568
+[c:1]:[c:2]:[n:3]:[c:4](-[N:5]=[C:6]):[c:7]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[Cl:8].[N:5]=[C:6]	2	21673,22329
+[C:1]-[C:2]-[C:3]-[S:4]-[C:6](-[C:5])=[O:7]>>[C:1]-[C:2]=[C:3].[S:4]=[C:6](-[C:5])-[O:7]	2	21766,46820
+[O:1]-[N:2]=[C:3](-[c:4])-[c:5](:[c:6]):[n:7]>>[O:1]-[N:2].[C:3](-[c:4])(-[c:5](:[c:6]):[n:7])=[O:8]	2	21831,47079
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1>>[c:1]:1:[c:2]:[n:3](:[c:4]:[c:5]:1)-[S:7](=[O:6])(=[O:8])-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2	2	21835,53038
+[C:1]-[N:2](-[C:3])-[c:4](:[n:5]:[c:6]):[s:7]>>[C:1]-[N:2]-[C:3].[c:4](:[n:5]:[c:6])(:[s:7])-[Cl:8]	2	21918,43857
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[n:7]:[c:8]:[c:9]:2>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:6]:1-[N+:7](=[O:13])-[O-:14])-[C:9]=[C:8]-[N:11](-[C:10])-[C:12]	2	21932,56864
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:9](:[n:10]:[c:11]:[c:12]):[c:13]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8].[c:9](:[n:10]:[c:11]:[c:12])(:[c:13])-[Cl:14]	2	21941,21946
+[c:1]:[c:2](-[N:3]-[C:12](=[O:5])-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10]):[c:4]>>[N:3]-[C:12](=[O:5])-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10].[c:1]:[c:2](:[c:4])-[Br:6]	2	21944,21947
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[C:7]>>[C:1]-[C:2](-[N:6]-[C:7])=[O:12].[N:3](=[N+:4]=[N-:5])-[Si:9](-[C:8])(-[C:10])-[C:11]	2	21962,34144
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[c:6]):[n:7]:1>>[C:1]-[C:2](-[N:3]-[C:4]-[C:5](-[c:6])=[O:9])=[O:8].[N:7]	2	22091,40955
+[C:1]=[C:2](-[C:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Br:7].[C:1]=[C:2](-[C:3])-[B:9](-[O:8])-[O:10]	2	22204,46358
+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[c:9]:1:[n:8]>>[n:1]:1:[c:2]:[c:3](:[c:7]:[c:9]:1:[n:8])-[I:19].[c:4](:[c:5])(:[c:6])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	2	22217,28399
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1-[C:11]>>[N:3]-[c:4]:1:[c:5]:[n:6]:[c:7]:[n:8]:[c:9]:1-[N:10]-[C:11].[c:1]-[C:2]=[O:12]	2	22261,42456
+[n:1]:[c:2](-[N:3]-[c:4](:[c:5]):[c:6]):[n:7]>>[n:1]:[c:2](-[N:3]):[n:7].[c:4](:[c:5])(:[c:6])-[I:8]	2	22263,22980
+[c:1]:[n:2]:[c:3](-[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1):[n:10]:[c:11]>>[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1.[c:1]:[n:2]:[c:3](:[n:10]:[c:11])-[Cl:12]	2	22286,29335
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[C:6]-[C:7](=[O:8])-[O:9]>>[C:1]-[N:2]-[C:6]-[C:7](=[O:8])-[O:9].[C:3](=[O:4])(-[c:5])-[Cl:10]	2	22321,34595
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[c:6](:[c:7]):[c:8]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[Cl:9].[c:6](:[c:7])(:[c:8])-[B:11](-[O:10])-[O:12]	2	22354,38072
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[s:7]:1):[c:8]>>[c:3]:1(:[n:4]:[n:5]:[c:6]:[s:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	2	22411,28682
+[C:1]-[C:2]-[C:3](-[c:4](:[n:5]):[n:6])-[C:7]>>[C:1]-[C:2]=[C:3](-[c:4](:[n:5]):[n:6])-[C:7]	2	22418,53258
+[n:1]:[c:2](-[C:3]=1-[N:4]-[N:5]-[C:6](=[O:7])-[N:8]=1):[c:9]>>[n:1]:[c:2](-[C:3](=[N:4]-[N:5])-[N:8]):[c:9].[C:6](=[O:7])(-[n:12]:1:[c:11]:[c:10]:[n:19]:[c:18]:1)-[n:13]:2:[c:14]:[c:15]:[n:16]:[c:17]:2	2	22448,22764
+[c:1](:[n:2]:[c:3](-[N:4]-[c:5](:[n:6]):[s:7]):[c:8]):[c:9]>>[c:1](:[n:2]:[c:3](:[c:8])-[Cl:10]):[c:9].[N:4]-[c:5](:[n:6]):[s:7]	2	22480,25290
+[C:1]#[C:2]-[C:3]-[O:4]-[Si:5](-[C:6])(-[C:7])-[C:8]>>[C:1]#[C:2]-[C:3]-[O:4].[Si:5](-[C:6])(-[C:7])(-[C:8])-[Cl:9]	2	22483,27514
+[C:1]-[C:2](-[C:3]#[N:4])(-[c:5](:[n:6]:[c:7]:[c:8]):[c:9])-[C:10]>>[C:1]-[C:2](-[C:3]#[N:4])-[C:10].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[F:11]	2	22536,26365
+[c:1]:[c:2]:1:[n:3]:[n:4]:2-[C:5](-[C:6])=[C:7]-[C:8](=[O:9])-[N:10]-[c:11]:2:[c:12]:1>>[C:5](-[C:6])(-[C:7]-1-[C:8](=[O:9])-[O:20]-[C:14](-[C:13])(-[C:15])-[O:16]-[C:17]-1=[O:18])=[O:19].[c:1]:[c:2]:1:[n:3]:[n:4]:[c:11](-[N:10]):[c:12]:1	2	22539,22540
+[c:1]:1:[n:2]:[c:3]:2:[c:4](:[n:5]:[n:6]:[n:7]:2-[C:8]):[c:9]:[n:10]:1>>[c:1]:1:[n:2]:[c:3](:[c:4](-[N:5]):[c:9]:[n:10]:1)-[N:7]-[C:8].[N:6](=[O:11])-[O:12]	2	22688,22707
+[O:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6](-[c:7](:[c:8]):[c:9])-[C:10]=[C:11]-1>>[O:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[n:6]:[c:10]:[c:11]:1.[c:7](:[c:8])(:[c:9])-[F:12]	2	22724,46057
+[C:1]#[C:2]-[Si:4](-[C:3])(-[C:5])-[C:6]>>[C:1]#[C:2].[C:3]-[Si:4](-[C:5])(-[C:6])-[Cl:7]	2	22743,34118
+[C:1]-[N:5](-[C:3](-[C:2])=[O:4])-[C:6]-[c:7]>>[C:1]-[N:5]-[C:3](-[C:2])=[O:4].[C:6](-[c:7])-[Cl:8]	2	22789,23488
+[N:1]-[c:2](:[n:3]):[n:4]>>[N:1](-[c:2](:[n:3]):[n:4])-[C:5]-[c:15]:1:[c:6](-[O:7]-[C:8]):[c:9]:[c:12](-[O:11]-[C:10]):[c:13]:[c:14]:1	2	22830,46084
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:10].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:9]	2	22847,51244
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[C:6]):[n:7]:1>>[C:1]-[C:2](-[C:3]-[N:7]-[C:5](-[C:6])=[O:9])=[O:8].[N:4]	2	22848,24037
+[C:1](=[O:2])-[C:3]=[C:4]-[c:5]:[c:7]:[n:6]>>[C:1](=[O:2])-[C:3].[C:4](-[c:5]:[c:7]:[n:6])=[O:8]	2	22915,44688
+[C:1]-[c:2](:[c:3]:[n:4]):[c:5]>>[c:2](:[c:3]:[n:4])(:[c:5])-[Br:6].[C:1]-[B:8](-[O:7])-[O:9]	2	22939,24842
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:2:[c:6]:[n:7]:[n:8]:[c:9]:1:2>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:9]:1-[N:8]-[N:7].[C:6](-[O:12]-[C:11]-[C:10])(-[O:13]-[C:14]-[C:15])-[O:16]-[C:17]-[C:18]	2	22947,31051
+[n:1]:1:[n:2]:[c:3](:[c:4]:[c:6]:1:[n:5])-[I:7]>>[n:1]:1:[n:2]:[c:3]:[c:4]:[c:6]:1:[n:5].[I:7]-[I:8]	2	22952,31136
+[C:1]-[C:2](=[O:3])-[N:4]-[N:5]-[C:6](=[O:7])-[c:8](:[c:9]):[n:10]>>[C:6](=[O:7])(-[c:8](:[c:9]):[n:10])-[O:11].[C:1]-[C:2](=[O:3])-[N:4]-[N:5]	2	22968,42337
+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]):[c:7]:1:[c:6]>>[C:1]-[c:7](:[c:4](-[N+:3](=[O:15])-[O-:16]):[c:5]):[c:6].[C:2](-[O:9]-[C:8])(-[O:10]-[C:11])-[N:12](-[C:13])-[C:14]	2	22989,34290
+[n:1]:1:[c:2](-[c:3]):[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[N:1]-[c:6](:[c:5](-[N:4]-[C:2](-[c:3])=[O:9]):[c:8]):[c:7]	2	22990,53622
+[c:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[c:1]-[C:2]-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	2	22994,50204
+[n:1]:[c:2](-[C:3]-[C:4]-[c:5]):[c:6]>>[n:1]:[c:2](-[C:3]=[C:4]-[c:5]):[c:6]	2	23001,36381
+[c:1]:[n:5]:[c:4]:[n:3]:[c:2]>>[c:1]:[n:5]:[c:4](:[n:3]:[c:2])-[Cl:6]	2	23016,38577
+[c:1]:1:[c:2](:[c:3]):[n:4](-[C:5]):[c:6]:[c:7]:1>>[C:5]-[O:12]-[C:11]-[C:10]-[O:9]-[C:8].[c:1]:1:[c:2](:[c:3]):[n:4]:[c:6]:[c:7]:1	2	23059,23133
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5]#[N:6]):[c:7]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](:[c:7]:1)-[I:8].[C:5]#[N:6]	2	23110,39470
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[C:7]>>[C:1]-[C:2](-[N:6]-[C:7])=[O:12].[N:3](=[N+:5]=[N-:4])-[Si:9](-[C:8])(-[C:10])-[C:11]	2	23196,34160
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]):[n:10]>>[c:1]:[c:2](-[C:3](=[O:11])-[O:12]):[n:10].[N:4]-[c:5](:[c:6](:[c:7])-[N:9]):[c:8]	2	23480,29437
+[C:1]-[C:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-[N:7]-1>>[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:[n:7]:1	2	23495,24001
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[n:6]:[c:7]:1>>[c:2]:1(:[n:3]:[c:4]:[c:5]:[n:6]:[c:7]:1)-[Br:8].[C:1]-[B:10](-[O:9])-[O:11]	2	23530,29585
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[c:1]-[C:2](=[N:3]-[O:4]-[C:5](-[C:6])=[O:8])-[N:7]	2	23569,54827
+[C:1]-[N:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[N:2]-[C:9].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[I:10]	2	23627,23688
+[C:1]-[N:2](-[c:3](:[c:4](:[n:5]):[c:6]):[c:7])-[C:8]>>[C:1]-[N:2]-[C:8].[c:3](:[c:4](:[n:5]):[c:6])(:[c:7])-[Br:9]	2	23806,23808
+[c:1]:1:[n:2]:[c:3](-[N:4](-[C:5])-[S:6]):[c:7]:[c:9](:[n:8]):[c:10]:1>>[N:4](-[C:5])-[S:6].[c:1]:1:[n:2]:[c:3](:[c:7]:[c:9](:[n:8]):[c:10]:1)-[Br:11]	2	23977,46282
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[N:9](-[C:10](=[O:11])-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16])-[c:17](:[c:18]):[n:21]:[c:20](:[c:19]):[c:22]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[N:9]-[C:10](=[O:11])-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16].[c:17](:[c:18])(:[n:21]:[c:20](:[c:19]):[c:22])-[Cl:23]	2	24019,24020
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[N:6]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[N:6]-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	2	24060,38481
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6]:[o:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[I:9].[c:3]:1(:[c:4]:[c:5]:[c:6]:[o:7]:1)-[B:11](-[O:10])-[O:12]	2	24069,27691
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1)-[C:7](=[O:8])-[O:9]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:[c:6]:1.[C:7](=[O:8])=[O:9]	2	24095,24197
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5](-[c:6])-[C:7]):[n:8]:[c:9]:1>>[N:5](-[c:6])-[C:7].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:8]:[c:9]:1)-[Cl:10]	2	24190,26141
+[N:1]-[C:2]-[c:3](:[n:4]):[c:6]:[n:5]>>[N:1]#[C:2]-[c:3](:[n:4]):[c:6]:[n:5]	2	24202,34232
+[c:1]:1:[c:2]:[s:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:1>>[c:1]:1:[c:2]:[s:3]:[c:4](:[n:8]:1)-[Br:9].[c:5](:[c:6])(:[c:7])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	2	24232,28952
+[c:1]-[O:2]-[C:3](-[C:4])-[c:5]>>[c:1]-[O:2].[C:3](-[C:4])(-[c:5])-[O:6]	2	24243,48859
+[c:1]:1:[c:2]:[c:3]:[c:4](-[F:5]):[s:6]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[s:6]:1.[F:5]-[N:16](-[S:8](=[O:7])(=[O:9])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[S:17](=[O:18])(=[O:19])-[c:20]:2:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:2	2	24265,24266
+[C:1]=[C:2]-[C:3]-[O:4]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:7]-[C:6]-[C:5]	2	24332,30619
+[O:1]=[C:2](-[O:3])-[C:4]=[C:5]-[c:6]:[c:7]:[n:8]>>[C:5](-[c:6]:[c:7]:[n:8])=[O:9].[O:1]=[C:2](-[O:3])-[C:4]=[P:14](-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:28]:[c:27]:1)(-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2)-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:3	2	24352,53114
+[C:1]-[S:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:3](-[c:4]:[c:5]:[n:6])-[Br:7].[C:1]-[S:2]	2	24357,47461
+[c:1](:[n:2]):[c:4](:[c:3])-[O:5]-[C:7](-[C:6])=[O:8]>>[O:5](-[C:7](-[C:6])(-[C:9])-[C:10])-[N:11]=[O:8].[c:1](:[n:2]):[c:4](:[c:3])-[N:12]	2	24398,24399
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]>>[C:1]-[C:2](=[O:3])-[N:4]-[O:5]-[C:7](-[C:6])(-[C:8])-[C:9]	2	24401,24402
+[N:1](=[C:2](-[c:3])-[c:4])-[S:5]>>[N:1]-[S:5].[C:2](-[c:3])(-[c:4])=[O:6]	2	24418,24419
+[c:1]:[c:3](:[c:2])-[C:4](-[C:5])-[N:6]-[S:7]>>[C:4](-[C:5])=[N:6]-[S:7].[c:1]:[c:3](:[c:2])-[I:8]	2	24434,24435
+[N:1]-[C:8](-[C:5](=[C:3](-[C:2])-[O:4])-[C:6]#[N:7])=[O:9]>>[N:1]-[C:8](-[C:5]-[C:6]#[N:7])=[O:9].[C:2]-[C:3](=[O:4])-[O:12]-[C:11]-[C:10]	2	24455,25625
+[C:1]-[C:2](-[O:3])-[c:4](:[n:5]):[c:6]>>[C:2](=[O:3])-[c:4](:[n:5]):[c:6].[C:1]-[Mg:8]-[Br:7]	2	24473,27427
+[O:1]-[C:2](=[O:3])-[C:4]-[O:5]-[Si:6](-[C:7])(-[C:8])-[C:9]>>[Si:6](-[C:7])(-[C:8])(-[C:9])-[Cl:10].[O:1]-[C:2](=[O:3])-[C:4]-[O:5]	2	24509,24592
+[C:1]-[C:2](-[N:3]-1-[N:4]=[C:5](-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2)-[C:11]=[C:12]-[C:13]-1=[O:14])-[C:15]>>[C:1]-[C:2](-[C:15])-[I:16].[n:3]:1:[n:4]:[c:5](-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2):[c:11]:[c:12]:[c:13]:1-[O:14]	2	24741,26938
+[C:1]-[n:2]:1:[c:3](:[c:4]):[c:6](:[c:5]):[c:7]:[c:8]:1-[C:9]>>[C:1]-[N:2]-[c:3](:[c:4]):[c:6](:[c:5])-[C:7]#[C:8]-[C:9]	2	24750,56144
+[C:1]-[C:2]-[N:3]-[c:4]>>[C:1]-[C:2](=[O:5])-[O:6].[N:3]-[c:4]	2	24758,39451
+[C:1]-1=[C:2]-[N:3]-[C:4](=[O:5])-[N:6](-[C:7](=[O:8])-[c:9])-[C:10]-1=[O:11]>>[C:1]-1=[C:2]-[N:3]-[C:4](=[O:5])-[N:6]-[C:10]-1=[O:11].[C:7](=[O:8])(-[c:9])-[Cl:12]	2	24762,56042
+[O:1]=[C:2](-[C:3]-[O:4])-[N:5]>>[O:1]=[C:2](-[C:3]-[O:4]-[Si:10](-[C:7](-[C:6])(-[C:8])-[C:9])(-[C:11])-[C:12])-[N:5]	2	24770,24840
+[O:1]=[C:2]-[C:3](-[O:4]-[C:5](=[O:6])-[C:7])-[c:8]>>[O:4]-[C:5](=[O:6])-[C:7].[O:1]=[C:2]-[C:3](-[c:8])-[O:9]	2	24780,51975
+[O:1]=[C:2](-[C:3]-[S:4]-[c:5])-[N:6]>>[O:1]=[C:2](-[C:3]-[Cl:7])-[N:6].[S:4]-[c:5]	2	24787,36800
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[c:6]):[c:7](:[c:8]:1:[n:9]):[c:11]:[n:10]>>[n:1]:1:[c:2]:[c:3](:[c:7](:[c:8]:1:[n:9]):[c:11]:[n:10])-[I:16].[C:4](=[O:5])(-[c:6])-[N:14](-[O:13]-[C:12])-[C:15]	2	24804,27873
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:7]:1-[C:8]>>[C:1]-[C:2](=[N:7]-[C:8])-[S:10]-[C:9].[N:3]-[N:4]-[C:5](-[C:6])=[O:11]	2	24860,24861
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[o:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3]:1:[n:4]:[c:5]:[c:6]:[o:7]:1	2	24866,53070
+[O:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-2-[C:6]-[C:7]-1-[C:8]=[C:9]-[C:10]-2>>[O:1]-[N:2]-[C:7]-1-[C:6]-[N:5]-[C:10]-[C:9]=[C:8]-1.[C:3](=[O:4])(-[O:15]-[C:12](-[Cl:11])(-[Cl:13])-[Cl:14])-[O:16]-[C:17](-[Cl:18])(-[Cl:19])-[Cl:20]	2	24871,31886
+[C:1]=[C:2]-[C:3]-[O:4]-[C:5]>>[C:1]=[C:2]-[C:3]-[O:4].[C:5]-[I:6]	2	24890,31744
+[c:1]:[c:2]:1:[n:3]:[c:4](-[Si:5](-[C:6])(-[C:7])-[C:8]):[c:9](-[C:10]):[c:11]:1:[c:12]>>[C:4](-[Si:5](-[C:6])(-[C:7])-[C:8])#[C:9]-[C:10].[c:1]:[c:2](-[N:3]):[c:11](:[c:12])-[I:13]	2	24953,33734
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]>>[N:2](-[C:3])-[C:4](=[O:5])-[O:6].[C:1]-[I:7]	2	24981,31769
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6](-[c:7])-[C:8]):[c:9]:[n:10]>>[N:6](-[c:7])-[C:8].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[Cl:11]):[c:9]:[n:10]	2	25018,25034
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6]-[N:7])-[C:8]>>[c:1]-[N:2].[C:3](=[O:4])(-[C:5](=[C:6]-[N:7])-[C:8])-[Cl:9]	2	25085,25088
+[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[C:7](-[C:6])-[O:8]>>[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]:1)-[C:7](-[C:6])=[O:8]	2	25090,51285
+[C:1](=[O:2])(-[C:3])-[N:5](-[O:4])-[C:6]>>[C:1](=[O:2])(-[C:3])-[O:8]-[C:7].[O:4]-[N:5]-[C:6]	2	25119,41532
+[c:1]-[C:2]-[C:3]>>[c:1]-[C:2](-[C:3])-[Cl:4]	2	25144,26112
+[c:1]-[C:2](=[O:3])-[C:4]-[C:5]#[N:6]>>[c:1]-[C:2](=[O:3])-[Cl:7].[C:4]-[C:5]#[N:6]	2	25147,41226
+[c:1]-[N:2]=[C:3]=[N:4]-[c:5]>>[c:1]-[N:2]-[C:3](-[N:4]-[c:5])=[S:6]	2	25188,25189
+[c:1]-[C:2](-[C:3])-[O:4]>>[c:1]-[C:2]=[O:4].[C:3]-[Li:5]	2	25227,45697
+[c:1]:1:[c:2]:[c:3]:[c:4](-[S:5]-[c:6]:2:[n:7]:[c:8](:[c:9](:[c:10]):[n:12]:2):[c:11]):[o:13]:1>>[S:5]=[C:6]-1-[N:7]-[c:8](:[c:9](:[c:10])-[N:12]-1):[c:11].[c:1]:1:[c:2]:[c:3]:[c:4](:[o:13]:1)-[N+:15](=[O:14])-[O-:16]	2	25229,44776
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[c:6]):[n:7]:[c:8]:1:[c:9]>>[c:1]:[c:2](-[N:3]):[c:8](-[N:7]):[c:9].[C:4](-[C:5](-[c:6])=[O:10])-[Br:11]	2	25251,50815
+[C:1]-[C:3](-[c:2])-[c:4]>>[C:1]-[C:3](-[c:2])(-[c:4])-[O:5]	2	25261,54007
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1>>[c:1]:[c:2]:1:[n:3](:[c:4]:[c:5]:[c:6]:1)-[Si:7](-[C:8])(-[C:9])-[C:10](-[C:11])(-[C:12])-[C:13]	2	25299,25300
+[c:1]:[c:2](-[C:3](-[N:4])=[O:5]):[n:6]>>[N:4](-[C:7])(-[C:8])-[C:9]=[O:10].[c:1]:[c:2](-[C:3](=[O:5])-[O:11]):[n:6]	2	25306,29940
+[c:1]-[C:2](-[c:3])-[c:4]>>[c:1]-[C:2](-[c:3])(-[c:4])-[O:5]	2	25338,54532
+[c:1]:[c:2](-[Cl:3]):[c:4]:[n:5]>>[c:1]:[c:2]:[c:4]:[n:5].[Cl:3]-[N:10]-1-[C:8](-[N:6](-[Cl:7])-[C:14](-[C:12]-1(-[C:11])-[C:13])=[O:15])=[O:9]	2	25348,27971
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:5](-[O:4]-[C:3])=[O:6]	2	25359,25433
+[c:1]-[C:2]>>[c:1]-[C:2]-[S:4]-[C:3]	2	25392,50853
+[c:1]-[C:2](-[O:3])-[C:4](-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])-[Mg:8]-[Br:7].[c:1]-[C:2]=[O:3]	2	25411,27491
+[C:1]-[C:2](-[C:3])-[O:5]-[c:4]>>[C:1]=[C:2]-[C:3].[c:4]-[O:5]	2	25413,37780
+[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[N:6]>>[c:1]-[O:2].[S:3](=[O:4])(=[O:5])(-[N:6])-[Cl:7]	2	25427,45446
+[C:1]-[N:2](-[c:3])-[c:4]>>[N:2](-[c:3])-[c:4].[C:1]-[I:5]	2	25457,31363
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:3]=[C:4](-[c:5])-[N:6]-[O:7].[C:1]-[C:2](=[O:8])-[Cl:9]	2	25471,44016
+[C:1]-[C:2](=[C:3]-[c:4])-[C:5]>>[C:1]-[C:2](-[C:3](-[c:4])=[O:6])-[C:5]	2	25495,51693
+[C:1](-[C:2](=[O:3])-[O:4])-[c:5]:1:[c:6](:[n:7]:2:[n:8]:[c:9]:[c:10]:[c:11]:2:[n:12]:[c:13]:1-[C:14])-[Cl:15]>>[C:1](-[C:2](=[O:3])-[O:4])-[C:5]-1-[C:6](-[n:7]:2:[n:8]:[c:9]:[c:10]:[c:11]:2-[N:12]=[C:13]-1-[C:14])=[O:20].[Cl:15]-[P:17](=[O:16])(-[Cl:18])-[Cl:19]	2	25521,35368
+[C:1](=[O:2])(-[C:3]-1-[C:4]-[C:5]-1-[c:6](:[c:7]):[s:8])-[O:9]>>[C:4]=[C:5]-[c:6](:[c:7]):[s:8].[C:1](=[O:2])(-[C:3]=[N+:11]=[N-:10])-[O:9]	2	25530,30954
+[C:1](-[C:2])(=[O:3])-[Cl:4]>>[C:1](-[C:2])(=[O:3])-[O:7].[Cl:4]-[C:6]-[Cl:5]	2	25532,35101
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[N:6]-[C:7](=[O:8])-[c:9](:[c:10]:[s:11]):[n:12]>>[C:7](=[O:8])(-[c:9](:[c:10]:[s:11]):[n:12])-[O:13].[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[N:6]	2	25541,25542
+[s:1]:[c:2]:[c:3]-[C:4]-[O:5]>>[s:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:8]-[C:7]-[C:6]	2	25549,49748
+[C:1]-[C:2](-[c:3]:1:[n:4]:[n:5](-[C:6]):[c:7](-[c:8]):[c:9]:1-[O:10])=[O:11]>>[C:7](-[c:8])(-[C:9]=[O:10])=[O:12].[C:1]-[C:2](-[C:3]=[N:4]-[N:5]-[C:6])=[O:11]	2	25568,39394
+[c:1]-[C:2](=[N:3]-[c:4])-[O:7]-[C:5]=[O:6]>>[c:1]-[C:2](-[N:3]-[c:4])=[O:8].[C:5](=[O:6])-[O:7]	2	25575,49599
+[c:1]-[C:2]-1=[C:3]-[n:4](:[n:5]):[c:7](:[c:6])-[C:8](=[O:9])-[N:10]-1>>[c:1]-[C:2](-[C:3]-[n:4](:[n:5]):[c:7](:[c:6])-[C:8](=[O:9])-[O:13]-[C:12]-[C:11])=[O:14].[N:10]	2	25580,40986
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:8].[O:3]=[C:6](-[N:5])-[N:7]	2	25656,42034
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:[c:6]:1>>[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[Cl:7]	2	25668,49735
+[c:1]-[C:2](-[C:3])-[c:4]>>[c:1]-[C:2](=[C:3])-[c:4]	2	25673,52647
+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1:[n:6]>>[c:1]:1:[c:2]:[n:3]:[n:4](:[c:5]:1:[n:6])-[C:14]-[c:13]:2:[c:12]:[c:11]:[c:10](:[c:7]:[c:15]:2)-[O:9]-[C:8]	2	25721,55190
+[n:1]:[c:2](-[C:3]-[C:4]#[N:5]):[c:6]:[o:7]>>[n:1]:[c:2](-[C:3]-[Cl:8]):[c:6]:[o:7].[C:4]#[N:5]	2	25732,39327
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:2:[c:6]:1:[n:7]:[c:8](-[c:9](:[c:10]):[n:11]):[n:12]:2>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1-[N+:12](=[O:14])-[O-:15])-[N:7]-[C:8](-[c:9](:[c:10]):[n:11])=[O:13]	2	25756,38368
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[N:6])=[S:7]):[c:8]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[N:6])=[O:30]):[c:8]:1.[S:7]=[P:18]-1(-[S:17]-[P:15](-[c:14]:2:[c:13]:[c:12]:[c:11](-[O:10]-[C:9]):[c:29]:[c:28]:2)(=[S:16])-[S:27]-1)-[c:19]:3:[c:20]:[c:21]:[c:22](-[O:23]-[C:24]):[c:25]:[c:26]:3	2	25812,54642
+[C:1]=[C:2]-[C:3]>>[C:2](-[C:3])=[O:19].[C:1]-[P+:4](-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:23]:3:[c:17]:[c:18]:[c:20]:[c:21]:[c:22]:3	2	25826,53465
+[C:1]-[C:2](-[O:3])(-[C:4](=[O:5])-[O:10])-[C:6](-[F:7])(-[F:8])-[F:9]>>[C:1]-[C:2](=[O:3])-[C:4](=[O:5])-[O:10].[C:6](-[F:7])(-[F:8])(-[F:9])-[Si:12](-[C:11])(-[C:13])-[C:14]	2	25833,25835
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5](=[O:6])-[C:7]>>[C:3](=[O:4])(-[C:5](=[O:6])-[C:7])-[O:8].[C:1]-[O:2]	2	25834,25954
+[C:1]-[n:2]:1:[n:3]:[c:4](-[C:5](=[O:6])-[O:10]):[c:7]:[c:8]:1-[C:9]>>[C:7]-[C:8](-[C:9])=[O:14].[C:4](-[C:5](=[O:6])-[O:10])(-[O:12]-[C:11]-[C:15])=[O:13].[C:1]-[N:2]-[N:3]	2	25836,29905
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[C:1]-[C:2]=[O:3].[O:4]-[C:5]	2	25866,30488
+[C:1]-[C:2](-[C:3])=[C:4]-[C:5]-[O:6]>>[C:1]-[C:2](-[C:3])=[C:4]-[C:5](=[O:6])-[O:9]-[C:8]-[C:7]	2	25873,54219
+[C:1]-[C:2]-[N:3]-1-[N:4]=[C:5]-[N:6]-[C:7]-1=[O:8]>>[C:1]-[C:2]-[Cl:9].[N:3]-1-[N:4]=[C:5]-[N:6]-[C:7]-1=[O:8]	2	25893,29991
+[C:1]-1-[C:2]-[O:3]-[C:4](-[C:5])(-[c:6])-[O:7]-[C:8]-1>>[C:1](-[C:2]-[O:3])-[C:8]-[O:9].[C:4](-[C:5])(-[c:6])=[O:7]	2	25929,25930
+[C:1]-[C:2](-[C:3])(-[C:4])-[N:5]-[C:7](=[O:6])-[C:8]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:12].[N:5]#[C:7]-[C:8].[O:6]=[C:10](-[C:9])-[O:11]	2	25956,41305
+[n:1]:[c:2]:[c:8]:[n+:7](:[c:4](:[c:3]:[n:6]):[c:5])-[O-:9]>>[n:1]:[c:2]:[c:8]:[n:7]:[c:4](:[c:3]:[n:6]):[c:5].[O:9]-[O:11]-[C:10](-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16](-[Cl:17]):[c:18]:1)=[O:19]	2	25980,36660
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+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[s:7]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[s:7]:1)-[Br:8]	2	25999,42126
+[c:1](:[c:2]):[n:9]:[c:4](:[c:3])-[N:5]-[c:6](:[c:7]):[s:8]>>[c:1](:[c:2]):[n:9]:[c:4](:[c:3])-[Cl:10].[N:5]-[c:6](:[c:7]):[s:8]	2	26077,26081
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[c:7]):[c:8]>>[C:3](=[O:4])(-[c:6](:[c:7]):[c:8])-[O:9].[c:1]-[N:2].[N:5](=[N+:11]=[N-:10])-[P:12](=[O:13])(-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1)-[c:20]:2:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:2	2	26137,44309
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]#[N:7].[O:3]=[C:5](-[C:6])-[O:10]-[C:9]-[C:8].[O:4]	2	26159,30525
+[c:1]:1-[O:2]-[C:3](-[C:4])(-[C:5])-[C:6]-[C:7](-[c:8]:1:[c:9])=[O:10]>>[C:3](-[C:4])(-[C:5])=[C:6]-[C:7](=[O:10])-[O:11].[c:1](-[O:2]):[c:8]:[c:9]	2	26250,26252
+[c:1]:[c:2](-[C:3](-[C:4])(-[C:5])-[C:6]-[C:7](=[O:8])-[O:9]):[c:10]>>[C:3](-[C:4])(-[C:5])=[C:6]-[C:7](=[O:8])-[O:9].[c:1]:[c:2]:[c:10]	2	26251,26253
+[C:1]-[C:2]-1-[O:3]-[C:4]-1(-[C:5])-[C:6]>>[C:1]-[C:2]=[C:4](-[C:5])-[C:6].[O:3]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1	2	26269,26275
+[C:1]-[C:2](-[C:3])(-[C:4](-[C:5])=[N:6]-[O:7])-[Cl:8]>>[C:1]-[C:2](-[C:3])=[C:4]-[C:5].[N:6](=[O:7])-[O:14]-[C:13]-[C:12]-[C:10](-[C:9])-[C:11].[Cl:8]	2	26282,26287
+[c:1]:[n:5](:[c:3](:[c:2]):[c:4])-[N:6]-[C:7](-[C:8])-[C:9]>>[c:1]:[n:5](:[c:3](:[c:2]):[c:4])-[N:6]=[C:7](-[C:8])-[C:9]	2	26291,26292
+[O:1]=[C:2](-[c:3]:[c:4]:[n:5])-[O:6]>>[O:6]=[C:8](-[C:7])-[C:9].[O:1]=[C:2]-[c:3]:[c:4]:[n:5]	2	26305,26314
+[O:1]=[C:2](-[C:3])-[O:4]>>[O:4]=[C:6](-[C:5])-[C:7].[O:1]=[C:2]-[C:3]	2	26333,26344
+[C:1]-[C:2](-[C:3])(-[O:4])-[C:5](-[c:6])-[S:7]>>[C:1]-[C:2](-[C:3])=[O:4].[C:5](-[c:6])-[S:7]	2	26334,26349
+[C:1]-[N:2]-1-[c:3]:[c:4](:[s:5])-[C:6](=[O:7])-[N:8]-[C:9]-1(-[C:10])-[C:11]>>[C:9](-[C:10])(-[C:11])=[O:12].[C:1]-[N:2]-[c:3]:[c:4](:[s:5])-[C:6](=[O:7])-[N:8]	2	26342,29639
+[n:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7](-[C:8])-[C:9]>>[C:7](-[C:8])(-[C:9])-[Br:10].[n:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1	2	26352,26356
+[C:1]-[C:2](-[N:3]-[c:4])=[N:5]>>[C:1]-[C:2]#[N:5].[N:3]-[c:4]	2	26367,54844
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6](-[c:7]):[n:8]:1)-[C:9]#[N:10])-[O:11]>>[C:1]-[C:2](=[N:3])-[N:8].[C:4](-[C:5]-[C:9]#[N:10])(=[O:11])-[O:14]-[C:13]-[C:12].[C:6](-[c:7])=[O:15]	2	26369,30740
+[C:1]-[c:2]:1:[c:3](-[C:4](-[O:5])=[O:10]):[c:6](-[C:7]):[n:8]:[o:9]:1>>[C:1]-[C:2](-[C:3]-[C:4](-[O:5])=[O:10])=[O:12].[C:6](-[C:7])(=[N:8]-[O:9])-[Cl:11]	2	26376,26377
+[C:1]-[c:2]:1:[c:3]:[c:4](:[n:5]:[c:6](-[c:7]):[n:8]:1)-[O:9]>>[C:1]-[C:2](-[C:3]-[C:4](=[O:9])-[O:12]-[C:11]-[C:10])=[O:13].[N:5]-[C:6](-[c:7])=[N:8]	2	26379,29651
+[c:1]-[n:2]:1:[n:3]:[n:4]:[n:5]:[c:6]:1-[C:7]>>[c:1]-[N:2]-[C:6](-[C:7])=[O:8].[N+:3](=[N-:4])=[N-:5]	2	26387,47925
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2](=[O:3])-[N:7].[O:4]-[C:6]-[C:5]	2	26507,30334
+[c:1]-[C:2](-[C:3])-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1>>[c:1]-[C:2](-[C:3])-[O:16].[n:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:1)-[C:10](=[O:9])-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	2	26510,54933
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[c:7]:1:[c:8]>>[c:1]:[c:2](-[N:3]):[c:7](-[C:5](-[C:6])=[O:9]):[c:8].[N:4](=[O:10])-[O:11]	2	26512,26659
+[C:1]-[S:2]-[c:3]:1:[n:4]:[c:5](-[C:6]):[c:7](-[C:8]):[c:9](:[n:10]:1)-[O:11]>>[C:1]-[I:12].[S:2]=[C:3]-1-[N:4]-[C:5](-[C:6])=[C:7](-[C:8])-[C:9](-[N:10]-1)=[O:11]	2	26516,31478
+[C:1](-[C:2](-[F:3])=[C:4]-[C:5])=[O:6]>>[C:1](-[C:2](-[F:3])=[C:4]-[C:5])-[O:6]	2	26519,53716
+[C:1](-[C:2](-[F:3])=[C:4]-[C:5])-[O:6]>>[C:1](-[C:2](-[F:3])=[C:4]-[C:5])(=[O:6])-[O:9]-[C:8]-[C:7]	2	26520,54517
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[Cl:10]	2	26527,53366
+[c:1]:1(:[c:2]:[c:3](:[n:4]:[c:5](-[C:6]):[c:7]:1)-[O:8])-[O:9]>>[C:1]-1(=[C:2]-[C:3](=[O:8])-[O:10]-[C:5](-[C:6])=[C:7]-1)-[O:9].[N:4]	2	26542,40722
+[c:1]-[N:2]>>[c:1]-[N:2]-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4](-[O:3]-[C:11]):[c:10]:[c:9]:1	2	26545,55158
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5](=[O:6])-[O:9]):[c:7]:[s:8]:1>>[C:1]-[C:2](-[N:3])=[S:8].[C:4](-[C:5](=[O:6])-[O:9])(-[C:7]-[Br:11])=[O:10]	2	26588,44250
+[C:1]-[C:2]=[C:3]>>[C:1]-[C:2]=[O:13].[C:3]-[P+:18](-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)(-[c:17]:2:[c:11]:[c:12]:[c:14]:[c:15]:[c:16]:2)-[c:19]:3:[c:4]:[c:23]:[c:22]:[c:21]:[c:20]:3	2	26619,56119
+[C:1](=[O:2])-[N:3]-[C:4]>>[C:1](=[O:2])-[N:3](-[C:4])-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7](-[O:6]-[C:5]):[c:15]:[c:12]:1-[O:13]-[C:14]	2	26649,50740
+[C:1]-[C:2]-1(-[C:3])-[C:5](-[C:4])-[C:6]-1>>[C:1]-[C:2](-[C:3])=[C:5]-[C:4].[C:6](-[I:7])-[I:8]	2	26665,40487
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5](-[N:6]-[S:7])=[N:9]-[c:8])=[C:10]-[O:11]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5](-[O:14]-[C:13]-[C:12])=[O:15])=[C:10]-[O:11].[N:6]-[S:7].[c:8]-[N:9]	2	26693,26695
+[c:1]:[c:2]:1:[n:3](:[n:4]:[c:5]:[c:6]:1:[c:7])-[C:9](-[C:8])=[O:10]>>[N:4](-[O:16]-[C:15]-[C:14]-[C:12](-[C:11])-[C:13])=[O:17].[c:1]:[c:2](-[N:3]-[C:9](-[C:8])=[O:10]):[c:6](-[C:5]):[c:7]	2	26709,26710
+[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[c:7]:1:[c:6]>>[N:2](-[O:13]-[C:12]-[C:11]-[C:9](-[C:8])-[C:10])=[O:14].[N:1]-[c:7](:[c:4](-[C:3]):[c:5]):[c:6]	2	26711,26712
+[C:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[C:2]-[Zn+:7].[c:3](:[c:4])(:[c:5])-[Br:6]	2	26718,30986
+[c:1]-[N:2](-[C:3]-[C:4])-[C:5](=[O:6])-[O:7]>>[C:3](-[C:4])-[I:8].[c:1]-[N:2]-[C:5](=[O:6])-[O:7]	2	26729,29958
+[C:1]-[C:2]-[C:3](-[C:4](=[O:5])-[N:6])-[c:7]>>[C:1]-[C:2]-[I:8].[C:3](-[C:4](=[O:5])-[N:6])-[c:7]	2	26730,26731
+[C:1]-[N:2]-1-[C:3](-[N:4]-[C:5]=[C:6]-1-[C:7])=[S:8]>>[C:1]-[N:2].[C:5]-1-[C:6](-[C:7])(-[O:14]-[C:13]-[C:11](-[C:10]-[O:9])(-[O:12])-[O:16]-1)-[O:15].[C:3](#[N:4])-[S:8]	2	26739,29973
+[c:1](:[c:2](-[C:3](-[N:4])=[O:5]):[s:6]):[n:7]>>[c:1](:[c:2](-[C:3](=[O:5])-[O:30]):[s:6]):[n:7].[N:4]-1=[C:13]-[N:12](-[c:11]:2:[n:10]:[c:9](-[C:8]):[c:26](:[s:25]:2)-[C:27](=[O:28])-[O:29])-[C:23](-[N:14]-1-[C:15]-[c:16]:3:[c:17]:[c:18]:[c:19](-[F:20]):[c:21]:[c:22]:3)=[O:24]	2	26766,54354
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[C:7]>>[C:1]-[N:2]-1-[C:3](-[N:4]-[C:5]=[C:6]-1-[C:7])=[S:8]	2	26768,30002
+[n:1]:[c:2](-[c:3]:1:[c:4]:2-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[N:10]-[c:11]:2:[n:12]:[n:13]:1-[C:14]-[c:15]):[c:16]>>[C:4]=1-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[N:10]-[C:11]=1-[N:12]-[N:13].[n:1]:[c:2](-[C:3]=[O:17]):[c:16].[C:14](-[c:15])=[O:18]	2	26776,26778
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[n:7]>>[O:1]-[C:2](=[O:3])-[Cl:8].[N:4]-[c:5](:[n:6]):[n:7]	2	26821,38328
+[O:1]-[P:2](-[C:3])(=[O:4])-[C:5]-[C:6]-[C:7]#[N:8]>>[O:1]-[P:2](-[C:3])-[O:4].[C:5]=[C:6]-[C:7]#[N:8]	2	26834,41247
+[c:1]:[c:2](-[C:3]-[O:4]):[o:5]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:7]-[C:6]):[o:5]	2	26840,49478
+[c:1]-[C:2](-[N:3])-[c:4]>>[c:1]-[C:2](=[N:3]-[O:5])-[c:4]	2	26846,49578
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[n:6]:[n:7]:[n:8]:1):[c:9]:[n:10]>>[n:1]:[c:2]:[c:3](-[C:4]#[N:5]):[c:9]:[n:10].[N-:6]=[N+:7]=[N-:8]	2	26856,42382
+[c:1]:1:[c:2]:[c:3](-[C:4]-[C:5]):[n:6]:[c:7]:[n:8]:1>>[C:4](-[C:5])-[Mg:10]-[Br:9].[c:1]:1:[c:2]:[c:3](:[n:6]:[c:7]:[n:8]:1)-[Cl:11]	2	26867,31291
+[O:1]-[P:2](=[O:3])(-[O:4])-[O:5]-[C:6]>>[O:1]-[P:2](=[O:3])(-[O:4])-[Cl:7].[O:5]-[C:6]	2	26889,31230
+[c:1]:1:[c:2]:[c:3]:[n:4](-[C:5](-[C:6])-[C:7]):[c:8]:1:[c:9]>>[C:5](-[C:6])(-[C:7])-[I:10].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:8]:1:[c:9]	2	26911,26912
+[c:1]-[C:2]-[N:3]-[C:4]>>[N:3]-[C:4].[c:1]-[C:2]-[O:5]	2	26948,41919
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[C:1]-[N:2].[C:3](=[O:4])(-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)-[O:12]-[C:11]-[C:10]	2	26964,39975
+[C:1]-[N:2]-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9]	2	26970,51531
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5](-[C:6](=[O:7])-[C:8])-[c:9]>>[N:1]-[C:2](=[O:3])-[C:4]-[Br:10].[N:5](-[C:6](=[O:7])-[C:8])-[c:9]	2	26997,51831
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[n:6]:1>>[c:1]:1(:[c:2]:[n:3]:[c:4]:[c:5]:[n:6]:1)-[C:8](=[O:7])-[O:9]	2	27003,53282
+[c:1](:[c:2]:[n:3])(:[n:4])-[C:6](=[O:5])-[O:7]>>[c:1](:[c:2]:[n:3])(:[n:4])-[C:6](=[O:5])-[N:8].[O:7]	2	27004,42975
+[C:1](#[C:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1)-[Si:10](-[C:9])(-[C:11])-[C:12]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:7]:[n:8]:1)-[Br:13].[C:1](#[C:2])-[Si:10](-[C:9])(-[C:11])-[C:12]	2	27020,27477
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:6]:1)-[Cl:7]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:6]:1)-[O:8].[Cl:7]	2	27077,34804
+[c:1]:1:[c:2](-[O:3]):[c:4]:[c:5]:[n:6]:[c:7]:1>>[c:1]:1:[c:2](:[c:4]:[c:5]:[n:6]:[c:7]:1)-[Cl:8].[O:3]	2	27131,43002
+[c:1]:[c:10](:[n:9]:[c:3](:[c:2])-[n:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:1):[c:11]>>[n:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:1.[c:1]:[c:10](:[n:9]:[c:3](:[c:2])-[Cl:12]):[c:11]	2	27132,38357
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]=[C:7]-[C:8](=[O:9])-[O:10]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[I:11].[C:6]=[C:7]-[C:8](=[O:9])-[O:10]	2	27140,30612
+[C:1]-[N:2]>>[C:1]-[N:2]-[C:7](-[O:6]-[C:4](-[C:3])-[C:5])=[O:8]	2	27235,27261
+[c:1]:1:[c:2](-[C:3](=[O:4])-[c:5]):[n:6](:[c:7]:[c:8]):[c:10](:[c:9]):[c:11]:1>>[c:1]:1:[c:2]:[n:6](:[c:7]:[c:8]):[c:10](:[c:9]):[c:11]:1.[C:3](=[O:4])(-[c:5])-[Cl:12]	2	27238,49217
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5](-[F:6])(-[F:7])-[F:8]>>[C:1]-[O:2].[C:3](=[O:4])(-[C:5](-[F:6])(-[F:7])-[F:8])-[O:11]-[C:10](=[O:9])-[C:12](-[F:13])(-[F:14])-[F:15]	2	27274,37307
+[C:1]-[N:2]-[C:3]-[C:4]-[S:5]>>[C:1]-[N:2].[C:3]=[C:4]-[S:5]	2	27295,41791
+[c:1](-[C:2]-[N:3](-[C:4])-[C:5]=[O:6]):[c:7]:[n:8]>>[N:3](-[C:4])-[C:5]=[O:6].[c:1](-[C:2]-[Cl:9]):[c:7]:[n:8]	2	27314,49945
+[c:1]-[C:2](-[C:3])-[O:4]>>[c:1]-[C:2]=[O:4].[C:3]-[I:5]	2	27323,27345
+[c:1]:1:[c:2]:[c:3](-[F:4]):[c:5]:[c:6]:[n:7]:1>>[c:1]:1:[c:2]:[c:3](:[c:5]:[c:6]:[n:7]:1)-[Cl:8].[F:4]	2	27400,37104
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[c:7]:1>>[C:5](-[C:6])(-[O:9]-[C:8])=[O:10].[N:1]#[C:2]-[C:7].[N:3]-[N:4]	2	27422,33417
+[C:1](=[O:2])-[N:3]-[S:4](-[C:5])(=[O:6])=[O:7]>>[C:1](=[O:2])-[N:3].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:8]	2	27441,44987
+[s:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[c:6]:[c:8]:[n:7]):[n:9]:[c:10]:[n:11]:1>>[N:5]-[c:6]:[c:8]:[n:7].[s:1]:[c:2]:1:[c:3]:[c:4](:[n:9]:[c:10]:[n:11]:1)-[Cl:12]	2	27445,42743
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1>>[c:1]:1:[c:2](:[c:3]:[n:4]:[n:5]:1)-[C:7](=[O:6])-[O:8]	2	27466,36901
+[C:1](=[O:2])=[N:3]-[S:4]>>[C:1](=[O:2])(-[N:3]-[S:4])-[N:9]-[C:8]-[C:7]-[C:6]-[C:5]	2	27481,45957
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+[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5]:[c:6]:[n:7]:1>>[c:1]:[c:8](:[n:4]:[c:3]:[c:2])-[N:7].[C:5](-[C:6]-[Cl:10])=[O:9]	2	27532,44583
+[C:1]-[C:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:1]-[C:2]=[C:3]-[c:4]:[c:5]:[n:6]	2	27574,40398
+[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[Cl:7]):[c:6]>>[c:1]:[c:2](:[c:6])-[N:8].[Cl:7]-[Cu:9].[S:3](=[O:4])=[O:5]	2	27587,46310
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[C:5](=[O:4])-[O:6]	2	27593,48700
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[I+:6]-[c:17]:1:[c:7]:[c:8](-[C:9](-[C:10])-[C:11]):[c:14](-[O:13]-[C:12]):[c:15]:[c:16]:1.[c:1]-[O:2]	2	27631,27632
+[N:1]-[C:2]-1(-[c:3])-[C:4]-[C:5]-1>>[N:1]#[C:2]-[c:3].[C:4]-[C:5]-[Mg+:6]	2	27666,31263
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1]:[c:2](:[c:3])-[I:9].[O:4]-[B:5](-[O:6])-[O:8]-[C:7]	2	27670,43099
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]:[c:9]:[n:10]>>[C:6](=[O:7])(-[c:8]:[c:9]:[n:10])-[O:11].[O:1]-[C:2](=[O:3])-[C:4]-[N:5]	2	27713,29908
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[c:7]:[c:9]:[n:8]):[c:10]:[n:11]:1>>[N:6]-[c:7]:[c:9]:[n:8].[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:12]):[c:10]:[n:11]:1	2	27736,42540
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]:[n:8]):[c:9]):[c:10]:1>>[c:6](:[c:7]:[n:8])(:[c:9])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:10]:1)-[Br:11]	2	27754,29215
+[C:1]-1-[C:2](=[O:3])-[N:4](-[C:5]-[C:6](=[O:7])-[N:8])-[C:9](=[O:10])-[N:11]-1>>[C:5](-[C:6](=[O:7])-[N:8])-[Cl:12].[C:1]-1-[C:2](=[O:3])-[N:4]-[C:9](=[O:10])-[N:11]-1	2	27763,27764
+[c:1](-[C:2]):[c:3]:[n:4]>>[c:1](-[C:2]=[O:5]):[c:3]:[n:4]	2	27859,51810
+[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[N:7]-[c:8].[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:9]	2	27874,43259
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[n:7]:[c:8]:[c:9]>>[c:1]:[c:2](:[n:7]:[c:8]:[c:9])-[Br:18].[C:3](=[C:4]-[C:5])(-[C:6])-[B:13]-1-[O:12]-[C:10](-[C:11])(-[C:15](-[O:14]-1)(-[C:16])-[C:17])-[C:19]	2	27897,28291
+[C:1]-[C:2](-[c:3]:[c:5]:[n:4])-[N:6](-[C:7]=[O:8])-[C:9]=[O:10]>>[C:1]-[C:2](-[c:3]:[c:5]:[n:4])-[O:11].[N:6](-[C:7]=[O:8])-[C:9]=[O:10]	2	27933,55826
+[C:1](-[C:2](=[O:3])-[O:4])-[C:5]-[c:6]>>[C:1](-[C:2](=[O:3])-[O:4])-[C:5](-[c:6])=[O:7]	2	27965,50217
+[C:1](=[C:2]-[N:3])(-[c:4])-[B:6](-[O:5])-[O:7]>>[O:5]-[B:6](-[O:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[C:1](=[C:2]-[N:3])(-[c:4])-[Br:8]	2	28004,28254
+[B:1](-[O:2])(-[O:3])-[c:7]:1:[c:6]:[c:5]:[c:9](:[c:4]):[n:8]:1>>[B:1](-[O:2])(-[O:3])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:4]:[c:9]:1:[c:5]:[c:6]:[c:7]:[n:8]:1	2	28017,28113
+[C:1](=[C:2]-[C:3])(-[C:4])-[B:8](-[O:7])-[O:9]>>[O:7]-[B:8](-[O:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[C:1](=[C:2]-[C:3])(-[C:4])-[O:22]-[S:20](=[O:19])(=[O:21])-[C:23](-[F:5])(-[F:6])-[F:24]	2	28025,28026
+[c:1](:[c:2]:[c:3]:[n:4])(:[c:5])-[B:7](-[O:6])-[O:8]>>[O:6]-[B:7](-[O:8])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[c:1](:[c:2]:[c:3]:[n:4])(:[c:5])-[O:21]-[S:19](=[O:18])(=[O:20])-[C:22](-[F:23])(-[F:24])-[F:25]	2	28036,28040
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-[B:5](-[O:6])-[B:11]-1-[O:10]-[C:8](-[C:7])(-[C:9])-[C:13](-[O:12]-1)(-[C:14])-[C:15].[c:1]:[c:2]:[c:3]	2	28094,28106
+[O:1]-[B:2](-[O:3])-[c:4]:1:[c:5]:2:[c:6]:[n:7]:[n:8]:[c:9]:2:[n:10]:[c:11]:[c:12]:1>>[O:1]-1-[B:2](-[O:3]-[C:21](-[C:18]-1(-[C:19])-[C:20])(-[C:22])-[C:23])-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:25](-[O:24]-2)(-[C:26])-[C:27].[c:4]:1(:[c:5]:2:[c:6]:[n:7]:[n:8]:[c:9]:2:[n:10]:[c:11]:[c:12]:1)-[I:28]	2	28214,28265
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[C:3](=[C:4]-[C:5])(-[C:6])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16].[c:1]:[c:2](:[c:7])-[I:17]	2	28294,28926
+[c:1]:1:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]:[n:7]:[n:8]:1>>[c:1]:1:[c:2](:[c:6]:[n:7]:[n:8]:1)-[I:11].[B:3](-[O:4])(-[O:5])-[O:10]-[C:9]	2	28299,28300
+[c:1]:1:[c:2](:[n:3]:[n:4]:[c:5]:1)-[B:7](-[O:6])-[O:8]>>[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1.[O:6]-[B:7](-[O:8])-[O:12]-[C:10](-[C:9])-[C:11]	2	28306,28311
+[N+:1]-[C:2]-[C:3]-1-[O:4]-[B:5](-[O:6])-[c:7]:[c:8]-1>>[C:3](=[O:4])-[c:8]:[c:7]-[B:5]-1-[O:6]-[C:13](-[C:10](-[C:9])(-[C:11])-[O:12]-1)(-[C:14])-[C:15].[N+:1]-[C:2]	2	28329,28970
+[c:1]:[c:2](:[c:3])-[c:5](:[c:4]):[c:6]>>[c:4]:[c:5](:[c:6])-[B:16]-1-[O:7]-[C:8](-[C:9])(-[C:10])-[C:13](-[C:12])(-[C:14])-[O:15]-1.[c:1]:[c:2](:[c:3])-[Cl:11]	2	28343,28991
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1):[c:10]>>[c:1]:[c:2](:[c:10])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7](:[n:8]):[c:9]:1)-[Cl:20]	2	28348,29082
+[c:1]:[c:2](-[C:3]-[C:4](=[N:5])-[C:6]=[O:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[C:3](-[C:4](=[N:5])-[C:6]=[O:7])-[Cl:18]	2	28349,28350
+[c:1]:[c:2](-[c:3]:1:[c:4]:[s:5]:[c:6]:[c:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:12].[c:3]:1(:[c:4]:[s:5]:[c:6]:[c:7]:1)-[B:17]-2-[O:16]-[C:14](-[C:9](-[C:10])(-[C:11])-[O:18]-2)(-[C:13])-[C:15]	2	28359,28360
+[n:1]:[c:2]:[c:3](-[O:4]):[c:5]>>[n:1]:[c:2]:[c:3](:[c:5])-[B:10]-1-[O:9]-[C:7](-[C:6])(-[C:8])-[C:12](-[O:11]-1)(-[C:13])-[C:14].[O:4]-[O:15]	2	28375,28508
+[c:1]:[c:3](:[c:2])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[B:14]-1-[O:13]-[C:11](-[C:7](-[C:8])(-[C:9])-[O:15]-1)(-[C:10])-[C:12].[c:1]:[c:3]:[c:2]	2	28388,29213
+[n:1]:[c:2]:[c:11]:[c:4](:[c:3])-[c:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:[n:10]:1>>[n:1]:[c:2]:[c:11]:[c:4](:[c:3])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:5]:1(:[n:6]:[c:7]:[c:8]:[c:9]:[n:10]:1)-[Cl:21]	2	28408,28477
+[c:1]:[c:2](-[C:3](=[C:4]-[N:5])-[c:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[C:3](=[C:4]-[N:5])(-[c:6])-[Br:8]	2	28421,29008
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[n:7]>>[c:3](:[c:4])(:[c:5])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16].[c:1]:[c:2](:[c:6]:[n:7])-[Cl:17]	2	28443,29098
+[c:1]:[c:4](:[c:3]:[c:2]:[o:9])-[c:5](:[c:6]:[n:7]):[c:8]>>[c:1]:[c:4](:[c:3]:[c:2]:[o:9])-[Br:10].[c:5](:[c:6]:[n:7])(:[c:8])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	2	28451,28452
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[o:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[o:8]:1)-[B:14]-2-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-2)(-[C:17])-[C:18].[c:5](:[c:6])(:[c:7])-[Br:9]	2	28456,28457
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[c:5]:[c:7](:[n:6]):[n:8]:[c:9]:[c:10]:2):[c:11]:[n:12]:1>>[n:1]:1:[c:2]:[c:3](:[c:11]:[n:12]:1)-[B:18]-2-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-2)(-[C:21])-[C:22].[c:4]:1(:[c:5]:[c:7](:[n:6]):[n:8]:[c:9]:[c:10]:1)-[Br:13]	2	28494,28495
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:7]:[n:6]):[c:8]:[c:9](:[n:10]):[c:11]:1>>[c:4](:[c:5])(:[c:7]:[n:6])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:1]:1:[n:2]:[c:3](:[c:8]:[c:9](:[n:10]):[c:11]:1)-[Cl:21]	2	28496,29280
+[c:1]:1:[c:2](-[c:3]:2:[c:4]:[c:5]:[n:6]:[n:7]:2):[c:8]:[c:9]:[o:10]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[n:7]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20].[c:1]:1:[c:2](:[c:8]:[c:9]:[o:10]:1)-[Br:11]	2	28537,28538
+[c:1](:[n:2]):[c:4](:[n:3])-[C:5]-[Br:6]>>[Br:6]-[N:16]-1-[C:8](-[C:7])(-[C:9])-[C:10](=[O:11])-[N:12](-[Br:13])-[C:14]-1=[O:15].[c:1](:[n:2]):[c:4](:[n:3])-[C:5]	2	28552,28558
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]:[n:6]):[n:7]>>[C:1]-[C:2](-[O:3])-[c:4](:[c:5]:[n:6]):[n:7]	2	28604,49808
+[C:1]-[C:4]-1=[C:3](-[C:2])-[N:8](-[N:7]-[C:5]-1=[O:6])-[C:9]-[c:10]>>[C:1]-[C:4]-1=[C:3](-[C:2])-[N:8]-[N:7]-[C:5]-1=[O:6].[C:9](-[c:10])-[Br:11]	2	28607,28608
+[P:1]-[O:2]>>[P:1]-[O:2]-[C:7]-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:9]:[c:8]:1	2	28757,52645
+[C:1]-[C:5](-[C:4]=[C:3](-[C:2])-[N:7]-[c:8])=[O:6]>>[C:1]-[C:5](-[C:4]-[C:3](-[C:2])=[O:9])=[O:6].[N:7]-[c:8]	2	28758,44454
+[c:1]:[c:2](-[F:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[Br:5].[F:3]-[N:15](-[S:7](=[O:6])(=[O:8])-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[S:16](=[O:17])(=[O:18])-[c:19]:2:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:2	2	28781,46172
+[C:1](-[C:2]-[N:3](-[C:4]-[C:5](=[O:6])-[N:7])-[C:8])-[N:9]-[S:10]>>[N:3](-[C:4]-[C:5](=[O:6])-[N:7])-[C:8].[C:1]-1-[C:2]-[N:9]-1-[S:10]	2	28782,28886
+[C:1]-[N:3](-[C:2])-[N:4]=[O:5]>>[C:1]-[N:3]-[C:2].[N:4](=[O:5])-[O:6]	2	28786,29600
+[C:1](-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7])-[O:9]>>[C:1]-1-[C:2]-[O:9]-1.[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	2	28804,43636
+[c:1]:1:[c:2]:[n:3](-[c:4](:[c:5]):[c:6]):[c:7]:[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:7]:[c:8]:1.[c:4](:[c:5])(:[c:6])-[B:10](-[O:9])-[O:11]	2	28822,39114
+[c:1]:1:[c:2]:[n:3](-[c:4](:[c:5]):[c:6]):[c:7]:[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[c:7]:[c:8]:1.[c:4](:[c:5])(:[c:6])-[F:9]	2	28825,28826
+[c:1](:[o:2]):[c:3]-[C:4]-[O:5]>>[c:1](:[o:2]):[c:3]-[C:4](=[O:5])-[O:7]-[C:6]	2	28851,57354
+[c:1]:[c:2](-[N+:3](=[O:5])-[O-:6]):[c:4]>>[c:1]:[c:2]:[c:4].[N+:3](=[O:5])(-[O:6])-[O-:7]	2	28898,47708
+[c:1](:[c:2](-[C:3](=[C:4])-[C:5]):[c:6]):[n:7]>>[C:3](=[C:4])(-[C:5])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[c:1](:[c:2](:[c:6])-[Br:8]):[n:7]	2	28904,28907
+[N:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[c:7]>>[N:1]-[C:2]=[C:3](-[c:7])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[C:8])(-[C:9])-[O:16]-1.[c:4](:[c:5])(:[c:6])-[Br:10]	2	28911,28935
+[N:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[c:7]:[c:8]:[n:9]>>[N:1]-[C:2]=[C:3](-[c:7]:[c:8]:[n:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:4](:[c:5])(:[c:6])-[Br:19]	2	28912,28913
+[C:1]-[C:2]=[C:3](-[c:4](:[n:5]:[c:6]:[c:7]):[c:8])-[C:9]>>[C:1]-[C:2]=[C:3](-[C:9])-[B:18]-1-[O:17]-[C:15](-[C:10](-[C:11])(-[C:12])-[O:19]-1)(-[C:14])-[C:16].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:13]	2	28927,28928
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[n:11]:2:[c:10]:[c:9]):[c:12]:[n:13]:1>>[n:1]:1:[c:2]:[c:3](:[c:12]:[n:13]:1)-[B:22]-2-[O:21]-[C:19](-[C:14](-[C:15])(-[C:16])-[O:23]-2)(-[C:18])-[C:20].[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:11]:1:[c:10]:[c:9])-[Cl:17]	2	28981,29264
+[c:1]:1:[c:2]:[c:3](-[c:4]:2:[n:5]:[n:6]:[c:7]:[c:8]:2:[c:9]:[n:10]):[c:11]:[s:12]:1>>[c:1]:1:[c:2]:[c:3](:[c:11]:[s:12]:1)-[B:25]-2-[O:24]-[C:22](-[C:21])(-[C:23])-[C:27](-[O:26]-2)(-[C:28])-[C:29].[c:4]:1(:[n:5]:[n:6]:[c:7]:[c:8]:1:[c:9]:[n:10])-[O:16]-[S:14](=[O:13])(=[O:15])-[C:17](-[F:18])(-[F:19])-[F:20]	2	29050,29051
+[n:1]:[c:2](:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]):[c:9]>>[c:4](:[c:5])(:[c:6])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[n:1]:[c:2](:[c:3](:[c:7]:[n:8])-[Br:10]):[c:9]	2	29058,29099
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]):[c:8]):[c:9]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:9]:1)-[I:19].[c:6](:[c:7])(:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	2	29088,29090
+[N:1]-1-[C:2]=[C:3](-[F:4])-[C:5](-[c:6](:[c:7]):[c:8])=[C:9]-[C:10]-1=[O:11]>>[c:6](:[c:7])(:[c:8])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[N:1]-1-[C:2]=[C:3](-[F:4])-[C:5](=[C:9]-[C:10]-1=[O:11])-[I:21]	2	29105,29187
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[B:10]-1-[O:9]-[C:17](-[C:12](-[O:11]-1)(-[C:13])-[C:14])(-[C:16])-[C:18].[c:3]:1(:[c:4]:[c:5]:[c:6]:[n:7]:1)-[I:15]	2	29170,29204
+[N:1]-[C:2]-1=[C:3]-[C:4](-[c:5](:[c:6]):[c:7])=[C:8]-[N:9]-[C:10]-1>>[N:1]-[C:2]-1=[C:3]-[C:4](=[C:8]-[N:9]-[C:10]-1)-[Br:11].[c:5](:[c:6])(:[c:7])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	2	29233,29244
+[n:1]:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]:[c:8]:[n:7]):[c:9]):[c:10]>>[c:5](:[c:6]:[c:8]:[n:7])(:[c:9])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[n:1]:[c:2]:[c:3]:[c:4](:[c:10])-[Br:11]	2	29248,29251
+[c:1]:[c:2](:[n:3]:[c:4](-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1):[c:10]):[c:11]>>[c:5]:1(:[c:6]:[n:7]:[n:8]:[c:9]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20].[c:1]:[c:2](:[n:3]:[c:4](:[c:10])-[Cl:21]):[c:11]	2	29257,29296
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[n:7]>>[c:1]:[c:2](:[c:6]:[n:7])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16].[c:3](:[c:4])(:[c:5])-[I:17]	2	29271,29287
+[C:1]-[C:2](-[C:3])(-[O:4]-[C:5](=[S:6])-[N:7])-[c:8]>>[C:1]-[C:2](-[C:3])(-[O:4]-[C:5](-[N:7])=[O:30])-[c:8].[S:6]=[P:18]-1(-[S:17]-[P:15](-[c:14]:2:[c:13]:[c:12]:[c:11](-[O:10]-[C:9]):[c:29]:[c:28]:2)(=[S:16])-[S:27]-1)-[c:19]:3:[c:20]:[c:21]:[c:22](-[O:23]-[C:24]):[c:25]:[c:26]:3	2	29311,29464
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]#[N:5].[O:3].[O:4]-[C:8]-[C:7]-[O:6]	2	29384,42915
+[C:1](-[C:2](-[C:3]-[C:4]=[C:8]-[C:7])-[C:5])=[O:6]>>[C:1](-[C:2]-[C:5])=[O:6].[C:3]=[C:4]-[C:8](-[C:7])-[O:9]	2	29424,36469
+[c:1]:[c:2](-[C:3](-[F:4])(-[F:5])-[C:6](=[O:7])-[O:9]):[c:8]>>[c:1]:[c:2](:[c:8])-[I:11].[C:3](-[F:4])(-[F:5])(-[C:6](=[O:7])-[O:9])-[Br:10]	2	29453,37113
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[c:6]>>[C:1]-[N:2]-[c:6].[c:3](:[c:4])(:[c:5])-[F:7]	2	29523,39236
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[c:6]):[c:7]>>[C:4](=[O:5])(-[c:6])-[O:10]-[C:9]-[C:8].[n:1]:[c:2](-[N:3]):[c:7]	2	29578,48776
+[C:1]-1=[N:2]-[N:3]-[C:4](=[O:5])-[C:6]-1=[N:7]-[N:8]-[c:9]>>[C:1]-1=[N:2]-[N:3]-[C:4](=[O:5])-[C:6]-1.[N:8]-[c:9].[N:7](=[O:10])-[O:11]	2	29610,42458
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:3](:[c:4])(:[c:6]:[n:5])-[B:11](-[C:10]-[C:9])-[C:12]-[C:13].[c:1]:[c:2](:[c:7])-[Br:8]	2	29616,29617
+[c:1]-[C:2](-[C:3])(-[C:4]-[C:5])-[c:6](:[c:7]):[c:8]>>[c:1]-[C:2](-[C:3])=[C:4]-[C:5].[c:6](:[c:7]):[c:8]	2	29633,49845
+[C:1]-[C:2](-[C:3]-[S:4]-[c:5])=[O:6]>>[C:1]-[C:2](-[C:3]-[Br:7])=[O:6].[S:4]-[c:5]	2	29643,29644
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[C:2]#[N:6].[N-:3]=[N+:4]=[N:5]-[Si:8](-[C:7])(-[C:9])-[C:10]	2	29688,34151
+[c:1]:1:[c:2]:[n:3]:2-[C:4]-[C:5]-[N:6]-[C:7]-[c:8]:2:[n:9]:1>>[c:1]:1:[c:2]:[n:3]:2:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:2:[n:9]:1	2	29691,39922
+[C:1]-[n:2]:1:[c:3](-[C:4]):[c:5]:[c:6]:2:[c:7]:1:[n:8]:[c:9]:[n:10]:[c:11]:2>>[C:1]-[N:2]-[c:7]:1:[c:6](-[C:5]#[C:3]-[C:4]):[c:11]:[n:10]:[c:9]:[n:8]:1	2	29732,31011
+[C:1](-[C:2])(-[c:3](:[c:4]):[c:5]-[O:6])=[O:7]>>[C:1](-[C:2])(-[O:6]-[c:5]:[c:3]:[c:4])=[O:7]	2	29771,48364
+[C:1]-[C:2](-[C:3]#[N:4])-[C:5]>>[C:1]-[C:2](-[C:5])-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9].[C:3]#[N:4]	2	29798,41031
+[C:1]-[C:2](-[O:4]-[C:3]-[C:6]=[O:5])=[O:7]>>[C:1]-[C:2](-[O:4])=[O:7].[C:3](-[C:6]=[O:5])-[Cl:8]	2	29833,44138
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[C:1]-[C:2](-[N:3]-[O:4])=[N:7].[C:5](-[c:6])(=[O:8])-[O:9]	2	29872,41729
+[C:1]-[C:2]-[O:3]-[N:4]=[C:5]>>[C:1]-[C:2]-[I:6].[O:3]-[N:4]=[C:5]	2	29883,29947
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22].[c:1]:[c:2](:[c:8])-[Br:9]	2	29917,29928
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[n:8]:[c:9]:[c:10]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Sn:15](-[C:14]-[C:13]-[C:12]-[C:11])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23].[c:1]:[c:2](:[n:8]:[c:9]:[c:10])-[Cl:24]	2	29918,29921
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:8]>>[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[Sn:18](-[C:9]-[C:10]-[C:11]-[C:12])(-[C:17]-[C:16]-[C:15]-[C:14])-[C:19]-[C:20]-[C:21]-[C:22].[c:6](:[c:7])(:[c:8])-[I:13]	2	29925,29926
+[n:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]):[c:10]:1>>[n:1]:1:[c:2]:[n:3]:[c:4](:[c:10]:1)-[Sn:18](-[C:17]-[C:16]-[C:15]-[C:14])(-[C:19]-[C:20]-[C:21]-[C:22])-[C:23]-[C:24]-[C:11]-[C:12].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Cl:13]	2	29933,41375
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1>>[C:1]-[C:2]-[I:8].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1	2	29950,46857
+[c:1]:[c:2](-[C:3]-[C:4]):[c:5]>>[C:3](-[C:4])-[I:6].[c:1]:[c:2]:[c:5]	2	29952,30043
+[n:1]:[c:2](-[C:3]-[N:4]=[N+:7]=[N-:6]):[c:5]>>[n:1]:[c:2](-[C:3]-[Cl:8]):[c:5].[N-:4]=[N+:7]=[N-:6]	2	30015,37963
+[c:1]:[c:2](-[S:3]):[n:4]:[c:5]:[c:6]>>[c:1]:[c:2](:[n:4]:[c:5]:[c:6])-[O:28].[S:3]=[P:16]-1(-[S:15]-[P:13](-[c:12]:2:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:27]:[c:26]:2)(=[S:14])-[S:25]-1)-[c:17]:3:[c:18]:[c:19]:[c:20](-[O:21]-[C:22]):[c:23]:[c:24]:3	2	30018,49717
+[C:1]-[C:2]-[C:3](-[C:4])=[O:5]>>[C:1]-[C:2]-[Mg:11]-[Cl:10].[C:3](-[C:4])(=[O:5])-[N:8](-[O:7]-[C:6])-[C:9]	2	30021,52294
+[c:1]:1:[c:2]:[c:4](-[C:3]=[O:8]):[c:5]:[c:6]:[n:7]:1>>[c:1]:1:[c:2]:[c:4]:[c:5]:[c:6]:[n:7]:1.[C:3](=[O:8])-[N:10](-[C:9])-[C:11]	2	30024,32214
+[C:1]-[C:2]-[O:3]-[c:4]:[c:5]-[O:6]-[C:7]-[C:8]>>[C:8]-[N:16](-[C:9]=[O:10])-[C:15].[C:1]-[C:2]-[I:11].[O:3]-[c:4]:[c:5]-[O:6].[C:7](=[O:12])(-[O:13])-[O:14]	2	30034,30035
+[C:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1>>[C:1]-[C:2]-[I:8].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1	2	30103,30104
+[C:1]-[C:2]-[S:3]-[c:4]>>[C:1]-[C:2]-[I:5].[S:3]-[c:4]	2	30113,40368
+[C:1]-[N:2]-[C:3]-[c:4](:[c:5]:[n:6]):[s:7]>>[C:1]-[N:2].[C:3](-[c:4](:[c:5]:[n:6]):[s:7])-[Cl:8]	2	30177,30981
+[C:1]-[N:2]-[C:3](-[C:4]-[C:5]=[C:6])-[C:7]>>[C:1]-[N:2].[C:3](-[C:4]-[C:5]=[C:6])(-[C:7])=[O:8]	2	30186,41836
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])=[C:7]-[c:8](:[n:9]):[c:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[C:5]#[N:6].[C:7](-[c:8](:[n:9]):[c:10])=[O:11]	2	30259,44793
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](-[c:6]):[n:7]:[o:8]:1):[s:9]>>[c:1]:[c:2](-[C:3](=[O:10])-[O:11]):[s:9].[N:4]=[C:5](-[c:6])-[N:7]-[O:8]	2	30261,30262
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6](-[c:7](:[n:8]):[c:9]):[s:10]:1>>[N:1]-[C:2](-[N:3])=[S:10].[C:4](-[c:5])(-[C:6]-[c:7](:[n:8]):[c:9])=[O:11]	2	30287,41989
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Cl:6]>>[c:1]:[c:5]:[n:4]:[c:3]:[c:2].[Cl:6]	2	30295,34610
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]>>[C:1]-[O:2].[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11]	2	30305,32728
+[C:1](=[O:2])(-[c:3]:[c:4]:[n:5])-[O:6]>>[O:6]-[C:12]-[C:11].[C:1](=[O:2])(-[c:3]:[c:4]:[n:5])-[C:8](-[F:7])(-[F:9])-[F:10]	2	30315,30320
+[C:1](=[O:2])(-[C:3]-[C:4]=[O:7])-[O:6]-[C:5]>>[C:5]-[O:6].[C:1]-1(=[O:2])-[C:3](-[C:4]=[O:7])-[C:12](-[O:11]-[C:9](-[C:8])(-[C:10])-[O:14]-1)=[O:13]	2	30389,30390
+[C:1](=[O:2])(-[c:3](:[n:4]):[c:5])-[O:7]-[C:6]>>[C:6]-[O:7].[O:2]=[S:12](-[O:8])(-[O:9])=[O:11].[C:1](-[c:3](:[n:4]):[c:5])#[N:10]	2	30399,30400
+[C:1]-[C:2](=[O:3])-[O:7]-[C:6]>>[C:6]-[O:7].[O:3]=[C:4](-[O:5])-[O:9].[C:1]-[C:2]#[N:8]	2	30406,32897
+[C:1]-[C:2](=[O:3])-[O:4]>>[O:4]-[C:6]-[C:5].[C:1]-[C:2]=[O:3]	2	30427,30470
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[N:6]	2	30505,33163
+[O:1]=[C:2](-[c:3]:1:[n:4]:[c:5](-[c:6]):[n:7]:[s:8]:1)-[O:9]>>[O:1]=[C:2](-[C:3]#[N:4])-[O:9].[C:5]-1(-[c:6])=[N:7]-[S:8]-[C:11](=[O:10])-[O:12]-1	2	30549,30550
+[C:1](=[O:2])(-[C:3](-[C:4])-[c:5])-[O:6]>>[C:1](=[O:2])(-[C:3](-[C:4])(-[c:5])-[C:7](=[O:8])-[O:11]-[C:10]-[C:9])-[O:6]	2	30556,38548
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6](:[c:7]):[c:9]:[n:8]>>[O:1]-[C:2](=[O:3])-[C:4]=[C:5].[c:6](:[c:7])(:[c:9]:[n:8])-[I:10]	2	30602,30611
+[c:1]-[N:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])=[O:7].[c:1]-[N:2]	2	30624,30626
+[c:1]:[c:2](-[C:3](-[O:4])-[C:5](=[O:6])-[O:7]):[c:8]>>[C:3](=[O:4])-[C:5](=[O:6])-[O:7].[c:1]:[c:2]:[c:8]	2	30625,30627
+[O:1]=[C:2](-[O:3])-[C:4]-[n:5]:1:[n:6]:[n:7]:[c:8]:[n:9]:1>>[O:1]=[C:2](-[O:3])-[C:4]-[Br:10].[n:5]:1:[n:6]:[n:7]:[c:8]:[n:9]:1	2	30694,30729
+[O:1]=[C:2]-1-[N:3]-[C:4](=[S:5])-[N:6](-[c:7])-[C:8](=[C:9]-1)-[N:10]>>[O:1]=[C:2](-[C:9]-[C:8]#[N:10])-[O:13]-[C:12]-[C:11].[N:3]-[C:4](=[S:5])-[N:6]-[c:7]	2	30732,30737
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](=[O:6])-[N:7]-1>>[C:5](=[O:6])(-[O:10]-[C:9]-[C:8])-[Cl:11].[c:1]-[C:2](-[N:3]-[O:4])=[N:7]	2	30810,30815
+[c:1]:1:[c:2]:[s:3]:[c:4](-[C:5]#[C:6]):[n:7]:1>>[c:1]:1:[c:2]:[s:3]:[c:4](:[n:7]:1)-[Br:8].[C:5](#[C:6])-[Si:10](-[C:9])(-[C:11])-[C:12]	2	30836,33718
+[c:1](:[c:2]:[n:7])-[N:6]-[c:4](:[c:3]):[c:5]>>[c:1](:[c:2]:[n:7])-[N:6].[c:3]:[c:4](:[c:5])-[F:8]	2	30874,53886
+[n:1]:[c:4]:[c:3](:[n:2])-[C:7](-[N:5]-[c:6])=[O:8]>>[n:1]:[c:4]:[c:3](:[n:2])-[C:7](=[O:8])-[O:11]-[C:10]-[C:9].[N:5]-[c:6]	2	30884,34376
+[C:1](=[O:2])(-[C:3]-1-[C:4]-[C:5]-1-[c:6])-[O:7]>>[C:1](=[O:2])(-[C:3]=[N+:9]=[N-:8])-[O:7].[C:4]=[C:5]-[c:6]	2	30948,30952
+[C:1]-[n:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[N:2].[C:3](-[O:9]-[C:8]-[C:7])(-[O:10]-[C:11]-[C:12])-[O:13]-[C:14]-[C:15].[N-:4]=[N+:5]=[N-:6]	2	30979,31026
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6]:[c:7]:1>>[c:1]:[c:2]:[c:3](:[c:4])-[O:5]-[C:6]-[C:7](-[O:10]-[C:9]-[C:8])-[O:11]-[C:12]-[C:13]	2	31016,54589
+[c:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[c:1]-[N:2]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7].[C:3](-[O:11]-[C:10]-[C:9])(-[O:12]-[C:13]-[C:14])-[O:15]-[C:16]-[C:17]	2	31020,31066
+[c:1]:[c:4]:1:[c:3](:[c:2]):[o:7]:[c:6]:[n:5]:1>>[C:6](-[O:10]-[C:9]-[C:8])(-[O:11]-[C:12]-[C:13])-[O:14]-[C:15]-[C:16].[c:1]:[c:4](:[c:3](:[c:2])-[O:7])-[N:5]	2	31021,31022
+[O:1]-[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6]:2:[c:7]:1:[n:8]:[c:9]:[c:10]:[c:11]:2>>[C:4](-[O:14]-[C:13]-[C:12])(-[O:15]-[C:16]-[C:17])-[O:18]-[C:19]-[C:20].[O:1]=[C:2](-[N:3])-[c:7]:1:[c:6](-[N:5]):[c:11]:[c:10]:[c:9]:[n:8]:1	2	31025,31034
+[n:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:2>>[C:2](-[O:10]-[C:11]-[C:12])(-[O:13]-[C:14]-[C:15])-[O:18]-[C:17]-[C:16].[N:1]-[c:5]:1:[c:4](-[N:3]):[c:9]:[n:8]:[c:7]:[c:6]:1	2	31027,31058
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5]:[n:6]:1>>[C:5](-[O:10]-[C:9]-[C:8])(-[O:11]-[C:12]-[C:13])-[O:14]-[C:15]-[C:7].[c:1]-[C:2](-[N:3]-[O:4])=[N:6]	2	31029,31030
+[O:1]-[C:2]=[C:3](-[C:4](=[O:5])-[C:6])-[C:7]=[O:8]>>[O:1]-[C:2](-[O:11]-[C:10]-[C:9])-[O:12]-[C:13]-[C:14].[C:3](-[C:4](=[O:5])-[C:6])-[C:7]=[O:8]	2	31044,31045
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:1:2>>[C:3](-[O:15]-[C:14]-[C:13])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:11]-[C:12].[C:1]-[N:2]-[c:10]:1:[c:5](-[N:4]):[c:6]:[c:7]:[c:8]:[n:9]:1	2	31063,31064
+[c:1]:[c:2](:[o:3]):[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[n:9]>>[c:1]:[c:2](:[o:3]):[c:4](:[c:8]:[n:9])-[I:10].[c:5](:[c:6])(:[c:7])-[B:12](-[O:11])-[O:13]	2	31083,31084
+[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[Cl:6]>>[c:1]:[c:2]:[n:3]:[c:4](:[c:5])-[O:10].[Cl:6]-[S:8](=[O:7])-[Cl:9]	2	31144,35639
+[c:1]:1:[c:2]:[n:3](-[C:4]-[C:5]#[N:6]):[n:7]:[c:8]:1>>[c:1]:1:[c:2]:[n:3]:[n:7]:[c:8]:1.[C:4](-[C:5]#[N:6])-[Br:9]	2	31167,41270
+[c:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1>>[n:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1.[c:1]-[C:2]-[O:8]	2	31175,31176
+[C:1]=[C:2](-[C:3]=[O:7])-[c:4](:[n:5]):[n:6]>>[C:3](=[O:7])-[O:10]-[C:9]-[C:8].[C:1]=[C:2]-[c:4](:[n:5]):[n:6]	2	31184,31194
+[C:1]-[C:2](-[C:3](=[C:4]-[O:7])-[C:5])=[O:6]>>[C:4](=[O:7])-[O:8]-[C:10]-[C:9].[C:1]-[C:2](-[C:3]-[C:5])=[O:6]	2	31188,31189
+[c:1]-[C:2]-[C:3](-[c:4])=[O:5]>>[O:5](-[C:8]-[C:7])-[C:9]-[C:10].[C:3](-[c:4])#[N:11].[c:1]-[C:2]-[Br:6]	2	31201,31202
+[C:1](-[c:2])=[O:3]>>[O:3](-[C:5]-[C:4])-[C:6]-[C:7].[C:1](-[c:2])#[N:8]	2	31204,31205
+[N:1]-[C:2]-1(-[c:3](:[c:4]):[n:5])-[C:6]-[C:7]-1>>[C:6](-[C:7])-[Mg:9]-[Br:8].[N:1]#[C:2]-[c:3](:[c:4]):[n:5]	2	31275,31288
+[C:1]-[O:2]>>[C:1]-[O:2]-[Si:5](-[C:4]-[C:3])(-[C:6]-[C:7])-[C:8]-[C:9]	2	31307,37702
+[c:1]:1:[c:2](-[Cl:3]):[n:4]:[c:5]:[c:6]:[n:7]:1>>[c:1]:1:[c:2](:[n:4]:[c:5]:[c:6]:[n:7]:1)-[O:12].[Cl:3]-[P:9](=[O:8])(-[Cl:10])-[Cl:11]	2	31324,35485
+[o:1]:[c:2](-[N:3]-[S:4](=[O:5])(=[O:6])-[c:7]):[c:8]>>[o:1]:[c:2](-[N:3]):[c:8].[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:9]	2	31340,42562
+[c:1]-[N:2](-[C:3])-[C:4]>>[C:4]-[I:9].[C:3]-[N:6](-[C:5])-[C:7]=[O:8].[c:1]-[N:2]	2	31348,31352
+[C:1]-[S:2]-[C:3](=[N:4]-[C:5]-[Si:6](-[C:7])(-[C:8])-[C:9])-[c:10]>>[C:1]-[I:11].[S:2]=[C:3](-[N:4]-[C:5]-[Si:6](-[C:7])(-[C:8])-[C:9])-[c:10]	2	31364,31365
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5]=[C:6](-[c:7])-[c:8](:[c:9]):[c:11]-1:[c:10]>>[C:1]-[I:12].[n:2]:1:[c:3](-[O:4]):[c:5]:[c:6](-[c:7]):[c:8](:[c:9]):[c:11]:1:[c:10]	2	31390,31770
+[C:1]=[C:2]-1-[S:3]-[C:4](=[N:5]-[C:6]-1=[O:7])-[S:9]-[C:8]>>[C:8]-[I:10].[C:1]=[C:2]-1-[S:3]-[C:4](-[N:5]-[C:6]-1=[O:7])=[S:9]	2	31424,31562
+[c:1]-[C:2]-1=[N:3]-[C:4]=[C:5](-[C:6](-[F:7])(-[F:8])-[F:9])-[N:10](-[C:11])-[C:12]-1=[O:13]>>[C:11]-[I:14].[c:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6](-[F:7])(-[F:8])-[F:9]):[n:10]:[c:12]:1-[O:13]	2	31451,31455
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+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[S:6]-[C:7]):[n:8]:1-[C:9]>>[C:7]-[I:10].[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[S:6])-[N:8]-1-[C:9]	2	31497,31719
+[C:1]-[N:2]-[c:3](:[n:4]):[c:5]>>[C:1]-[I:6].[N:2]-[c:3](:[n:4]):[c:5]	2	31522,31679
+[c:1]:[c:2](-[N:3](-[C:4])-[S:5]):[n:6]>>[C:4]-[I:7].[c:1]:[c:2](-[N:3]-[S:5]):[n:6]	2	31524,31528
+[n:1]:1:[c:2]:[c:3]:[c:4]-2:[c:5]:1-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]=[C:11]-2-[Br:12]>>[C:9]-[I:13].[n:1]:1:[c:2]:[c:3]:[c:4]:2:[c:5]:1:[c:6](-[O:7]):[n:8]:[c:10]:[c:11]:2-[Br:12]	2	31552,31856
+[c:1]-[C:2](-[C:3])-[C:4]#[N:5]>>[C:3]-[I:6].[c:1]-[C:2]-[C:4]#[N:5]	2	31657,31767
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1>>[C:1]-[I:7].[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	2	31753,31858
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](:[n:6]:[c:7]:1-[O:8])-[S:10]-[C:9]>>[C:9]-[I:11].[C:1]-[C:2]-1=[C:3]-[N:4]-[C:5](-[N:6]-[C:7]-1=[O:8])=[S:10]	2	31874,31875
+[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[c:7](:[c:8]):[c:9]>>[c:7](:[c:8])(:[c:9])-[I:10].[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	2	31919,48169
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:7]:[n:6]):[n:8]:[c:9]:[c:10]:1>>[c:1]:1:[n:2]:[c:3](:[n:8]:[c:9]:[c:10]:1)-[Cl:11].[c:4](:[c:5])(:[c:7]:[n:6])-[B:13](-[O:12])-[O:14]	2	31920,39931
+[C:1](-[C:2](=[C:3]-[N:5])-[C:4])=[O:6]>>[C:3](-[N:5])(-[N:8](-[C:7])-[C:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14].[C:1](-[C:2]-[C:4])=[O:6]	2	31933,31934
+[c:1]-[c:2]:1:[n:3]:[c:4](-[N:5]):[n:6]:[c:7]:[c:8]:1>>[c:1]-[C:2](-[C:8]=[C:7]-[N:10](-[C:9])-[C:11])=[O:12].[N:3]-[C:4](-[N:5])=[N:6]	2	32003,42024
+[c:1]-[c:2]:1:[n:3]:[c:4](-[N:5]-[c:6]):[n:7]:[c:8]:[c:9]:1>>[c:1]-[C:2](-[C:9]=[C:8]-[N:11](-[C:10])-[C:12])=[O:13].[N:3]-[C:4](=[N:5]-[c:6])-[N:7]	2	32007,32009
+[N:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8])-[C:9]=[O:10]>>[N:1]=[C:2](-[C:3](-[C:4]=[C:5]-[N:12](-[C:11])-[C:13])=[O:14])-[C:9]=[O:10].[N:6]-[N:7]-[c:8]	2	32014,39696
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[c:6]:1:[c:7]>>[c:1]:[c:2](-[C:3]=[C:4]-[N:9](-[C:8])-[C:10]):[c:6](-[N+:5](=[O:11])-[O-:12]):[c:7]	2	32022,38428
+[c:1]:[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6](-[N:7]-[c:8]):[c:9]:1:[c:10]>>[c:1]:[c:2](-[N:3]=[C:4]-[N:12](-[C:11])-[C:13]):[c:9](-[C:6]#[N:5]):[c:10].[N:7]-[c:8]	2	32031,32033
+[C:1](-[c:2]:1:[c:3]:[c:4]:[c:6](:[c:5]):[n:7]:1)=[O:8]>>[c:2]:1:[c:3]:[c:4]:[c:6](:[c:5]):[n:7]:1.[C:1](=[O:8])-[N:11](-[C:9])-[C:10]	2	32078,32145
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[C:6]=[O:7]>>[C:6](=[O:7])-[N:10](-[C:9])-[C:11].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Br:8]	2	32085,32086
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]=[O:7]>>[C:6](=[O:7])-[N:9](-[C:8])-[C:10].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1	2	32097,32194
+[C:1](=[O:2])(-[c:3](:[c:4]):[s:7])-[N:9](-[O:8])-[C:10].[S:5]-[N:6]=[C:11]-[N:12]>>[C:11](-[N:12])=[O:13].[O:8]-[N:9]-[C:10].[C:1](=[O:2])(-[c:3](:[c:4]):[s:7])-[O:14].[S:5]-[N:6]	2	32098,32099
+[c:1]-1:[c:2]-[O:3]-[C:4]-[O:5]-1>>[C:4](-[N:7](-[C:6])-[C:8])=[O:9].[c:1](:[c:2]-[O:3])-[O:5]	2	32104,32105
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1:[c:7]>>[C:4](-[N:9](-[C:8])-[C:10])=[O:11].[c:1]:[c:2](-[N+:3](=[O:12])-[O-:13]):[c:6](-[C:5]):[c:7]	2	32175,32186
+[C:1]-[O:2]-[C:3]=[O:4]>>[C:1]-[N:6](-[C:5])-[C:7]=[O:8].[O:2]-[C:3]=[O:4]	2	32181,32215
+[O:1]=[C:2]-1-[N:3](-[C:4](-[c:5](:[c:6]):[c:7]-1)-[O:9])-[C:8]>>[C:4](=[O:9])-[N:12](-[C:10])-[C:11].[O:1]=[C:2](-[N:3]-[C:8])-[c:7]:[c:5]:[c:6]	2	32223,32225
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5](:[c:6]:[n:7]):[n:8]):[n:9]:[o:10]:1>>[C:1]-[C:2](=[O:11])-[O:12].[N:3]=[C:4](-[c:5](:[c:6]:[n:7]):[n:8])-[N:9]-[O:10]	2	32257,41494
+[c:1](-[C:2]#[N:3]):[c:4]:[n:5]>>[c:1](-[C:2]=[O:6]):[c:4]:[n:5].[N:3]	2	32259,40846
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]-[C:7]>>[C:3](=[O:4])(-[C:5]=[C:6]-[C:7])-[O:8].[c:1]-[N:2]	2	32265,55055
+[c:1]:1:[c:2]:[c:3]:[c:4](-[S:5]-[c:6]):[s:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:7]:1)-[Cl:8].[S:5]-[c:6]	2	32273,36957
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1>>[C:1]-[C:2]-[O:8].[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1	2	32300,40047
+[C:1]-[n:2]:1:[c:3](-[c:4]):[c:5]:[c:6](:[c:7]:1-[C:8])-[C:9]>>[C:1]-[N:2].[C:3](-[c:4])(-[C:5]-[C:6](-[C:7](-[C:8])=[O:11])-[C:9])=[O:10]	2	32333,51928
+[c:1]:1:[c:2]:[n:3]:[c:4]:2:[s:5]:[c:6](-[N:7]):[n:8]:[c:9]:2:[c:10]:1>>[c:1]:1:[c:2]:[n:3]:[c:4]:[c:9](-[N:7]):[c:10]:1.[S:5]-[C:6]#[N:8]	2	32407,37288
+[n:1]:[c:2](-[C:3]-[N:4](-[C:7]=[O:6])-[C:8]=[O:9]):[n:5]>>[n:1]:[c:2](-[C:3]-[O:10]):[n:5].[N:4](-[C:7]=[O:6])-[C:8]=[O:9]	2	32413,51962
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5](:[c:6]):[n:7]>>[C:1]-[O:2].[C:3](=[O:4])(-[c:5](:[c:6]):[n:7])-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11]	2	32729,34853
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[N:18]-1-[C:7](=[O:6])-[O:8]-[C:9]-[C:10]-1-[C:11]-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2	2	32772,33081
+[O:1]=[C:2](-[C:3]=[O:6])-[O:4]-[C:5]>>[C:5]-[O:7].[O:1]=[C:2](-[C:3]=[O:6])-[O:4]	2	32941,33119
+[C:1](=[O:2])(-[c:3])-[O:4]>>[O:4]-[C:5].[C:1](=[O:2])-[c:3]	2	33022,33032
+[C:1]-[O:2]-[c:3](:[c:4](:[n:5]):[c:6]):[c:7]>>[C:1]-[O:2].[c:3](:[c:4](:[n:5]):[c:6])(:[c:7])-[F:8]	2	33129,33135
+[C:1]-[O:2]-[C:3](=[N:4])-[c:5](:[n:6]):[c:7]>>[C:1]-[O:2].[C:3](#[N:4])-[c:5](:[n:6]):[c:7]	2	33131,33181
+[C:1]-[O:2]-[C:3](=[N:4]-[N:5])-[C:7](-[N:6])=[O:8]>>[C:1]-[O:2].[C:3](=[N:4]-[N:5])(-[C:7](-[N:6])=[O:8])-[Br:9]	2	33133,33134
+[O:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8]:[n:9]:1>>[O:1]=[C:2](-[C:3](-[O:11]-[C:10])-[O:12]-[C:13])-[N:9]-[C:8]-[c:7](:[c:4]:[c:5]):[c:6]	2	33221,43127
+[c:1]:[c:2](-[C:3]=[O:5]):[n:4]>>[c:1]:[c:2](-[C:3](-[O:5]-[C:8])-[O:7]-[C:6]):[n:4]	2	33242,43218
+[n:1]:[c:2]:[c:3](-[S:4](=[O:5])(=[O:6])-[Cl:7]):[c:8]>>[n:1]:[c:2]:[c:3](:[c:8])-[N:9].[Cl:7].[S:4](=[O:5])=[O:6]	2	33246,34786
+[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:6]>>[C:3](-[C:4](=[O:5])-[O:6])-[P:9](-[O:8]-[C:7])(=[O:10])-[O:11]-[C:12].[c:1]-[C:2]=[O:13]	2	33273,33275
+[c:1](-[C:2](=[O:3])-[O:6]):[c:4]-[N:5]>>[c:1]:1-[C:2](=[O:3])-[C:8](-[N:5]-[c:4]:1)=[O:7].[O:6]-[O:9]	2	33325,47260
+[c:1]:[c:2](-[C:3](-[C:4](=[O:5])-[N:6])(-[c:7])-[O:9]):[c:8]>>[c:1]:[c:2](:[c:8])-[Mg:11]-[Br:10].[C:3](-[C:4](=[O:5])-[N:6])(-[c:7])=[O:9]	2	33341,50237
+[c:1]:[c:6]:1:[n:2]:[n:3]:[c:4]:[c:5]:1>>[c:1]:[c:6]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:9](-[O:8]-[C:7])=[O:10]	2	33348,57184
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5]#[N:6]):[c:7]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5]=[N:6]-[O:8]):[c:7]:1	2	33353,51880
+[C:1](-[c:2])(-[C:3]-[c:4](:[n:5]):[c:6])=[O:7]>>[C:1](-[c:2])(=[O:7])-[O:9]-[C:8].[C:3]-[c:4](:[n:5]):[c:6]	2	33397,37061
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])(=[O:6])-[O:7]	2	33435,44133
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:[c:11]:1:2)-[Cl:12]>>[n:1]:1:[n:2]:[c:3]:[c:4]:[c:11]:1-[N:10]-[c:9](:[c:6](-[C:5](=[O:17])-[O:18]):[c:7]):[c:8].[Cl:12]-[P:14](=[O:13])(-[Cl:15])-[Cl:16]	2	33483,35224
+[C:1]-[C:2](-[c:3])-[Cl:4]>>[C:1]-[C:2](-[c:3])-[O:5].[Cl:4]	2	33508,34800
+[N:1]#[C:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1>>[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1.[N:1](=[C:2]=[O:12])-[S:9](=[O:8])(=[O:10])-[Cl:11]	2	33512,45620
+[c:1]-[C:2](=[O:3])-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[c:1]-[C:2](=[O:3])-[N:12](-[O:11]-[C:10])-[C:13].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:9]	2	33525,38582
+[C:1]-1-[C:2](-[C:3])(-[O:4]-1)-[c:5]>>[C:2](-[C:3])(=[O:4])-[c:5].[C:1]-[S+:9](-[C:6])(=[O:7])-[C:8]	2	33550,33646
+[c:1](-[C:2]-[C:3]-[N:4](-[C:5])-[C:6]):[c:7]:[n:8]>>[c:1](-[C:2]=[C:3]):[c:7]:[n:8].[N:4](-[C:5])-[C:6]	2	33595,33596
+[c:1]:[c:2](-[S:3](-[C:4])(=[O:5])=[O:6]):[c:7]>>[O:5]=[S:10](-[C:9])-[O:11].[S:3](-[C:4])(=[O:6])-[C:12].[c:1]:[c:2](:[c:7])-[Br:8]	2	33603,33604
+[c:1]-[C:2](=[O:3])-[C:4](=[O:5])-[c:6]>>[c:1]-[C:2]#[C:4]-[c:6].[O:3]=[S:8](-[C:7])-[C:9].[O:5]	2	33605,33606
+[S:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[S:1]-[C:2].[c:3](:[c:4]):[c:5]	2	33619,33620
+[c:1]:[c:2](-[P:3](-[C:4])(-[C:5])=[O:6]):[c:7]>>[P:3](-[C:4])(-[C:5])=[O:6].[c:1]:[c:2](:[c:7])-[Br:8]	2	33644,33645
+[C:1](#[C:2]-[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[Si:12](-[C:11])(-[C:13])-[C:14]>>[C:1](#[C:2])-[Si:12](-[C:11])(-[C:13])-[C:14].[c:3]:1(:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[I:15]	2	33690,33708
+[C:1]#[C:2]-[C:3]=[C:4]>>[C:1](#[C:2]-[C:3]=[C:4])-[Si:6](-[C:5])(-[C:7])-[C:8]	2	33728,56087
+[C:1]-[n:2]:1:[c:3]:[c:4]:[c:5](:[c:6]):[c:8]:1:[c:7]>>[C:3](#[C:4]-[c:5](:[c:6]):[c:8](:[c:7])-[F:13])-[Si:10](-[C:9])(-[C:11])-[C:12].[C:1]-[N:2]	2	33741,38385
+[n:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[c:7]:1:[c:6]>>[N:1]-[c:7](:[c:4](-[C:3]#[C:2]-[Si:9](-[C:8])(-[C:10])-[C:11]):[c:5]):[c:6]	2	33775,38710
+[N:1]#[C:2]-[C:3](-[N:4]-[c:5]:[c:7]:[n:6])-[c:8]>>[N:1]#[C:2]-[Si:10](-[C:9])(-[C:11])-[C:12].[C:3](-[c:8])=[O:13].[N:4]-[c:5]:[c:7]:[n:6]	2	33855,33871
+[N:1]#[C:2]-[C:3](=[C:4]-[C:5])-[c:6]>>[N:1]#[C:2]-[Si:8](-[C:7])(-[C:9])-[C:10].[C:3](-[C:4]-[C:5])(-[c:6])=[O:11]	2	33856,33864
+[c:1]-[C:3](-[C:2])(-[O:4])-[C:5]-[N:6]>>[C:5](#[N:6])-[Si:8](-[C:7])(-[C:9])-[C:10].[c:1]-[C:3](-[C:2])=[O:4]	2	33865,33874
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5](=[O:6])-[c:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[I:9].[C:3]=[C:4]-[C:5](-[O:6])-[c:7]	2	33890,50574
+[O:1]-[C:2]-[n:3]:1:[c:4](:[c:5]:[c:8]:[c:9]:1:[n:10]):[c:7]:[n:6]>>[O:1]-[C:2]-[Cl:11].[n:3]:1:[c:4](:[c:5]:[c:8]:[c:9]:1:[n:10]):[c:7]:[n:6]	2	33915,33916
+[c:1]:[c:2](-[C:3]-1=[C:4](-[C:5])-[C:6](=[O:7])-[N:8]-[C:9](=[O:10])-[N:11]-1):[c:12]>>[C:3]-1(=[C:4](-[C:5])-[C:6](=[O:7])-[N:8]-[C:9](=[O:10])-[N:11]-1)-[Br:14].[c:1]:[c:2](:[c:12])-[B:16](-[O:13])-[O:15]	2	33935,46668
+[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5](:[c:6]:[n:7]):[n:8]:1>>[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5](:[c:6]:[n:7]):[n:8]:1-[C:16]-[O:15]-[C:14]-[C:13]-[Si:10](-[C:9])(-[C:11])-[C:12]	2	33980,33997
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:8]-[C:7]-[Si:4](-[C:3])(-[C:5])-[C:6]	2	34004,34041
+[c:1]:[c:2](-[S:3]-[c:4]:1:[n:5]:[n:6]:[c:7]:2:[c:8]:[c:9]:[c:10](-[c:11]:3:[c:12]:[n:13]:[n:14]:[c:15]:3):[n:16]:[n:17]:1:2):[c:18]>>[S:3]=[C:4]-1-[N:5]-[N:6]=[C:7]-2-[C:8]=[C:9]-[C:10](-[c:11]:3:[c:12]:[n:13]:[n:14]:[c:15]:3)=[N:16]-[N:17]-1-2.[c:1]:[c:2](:[c:18])-[O:22]-[S:20](=[O:19])(=[O:21])-[C:23](-[F:24])(-[F:25])-[F:26]	2	34036,38285
+[n:1]:[c:3](:[n:2])-[C:4]=[N:5]-[O:6]>>[n:1]:[c:3](:[n:2])-[C:4]=[O:7].[N:5]-[O:6]	2	34057,47084
+[O:1]-[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6](:[c:7]:1):[n:8]>>[c:2]:1(:[n:3]:[c:4]:[n:5]:[c:6](:[c:7]:1):[n:8])-[Cl:9].[O:1]	2	34066,43004
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[C:6](-[O:7])-[c:8]>>[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1.[C:6](=[O:7])-[c:8]	2	34109,37092
+[c:1]-[C:2]=[N:3]-[C:4](=[C:5])-[O:6]-[Si:7](-[C:8])(-[C:9])-[C:10]>>[Si:7](-[C:8])(-[C:9])(-[C:10])-[Cl:20].[N:3](-[Si:12](-[C:11])(-[C:13])-[C:14])-[Si:15](-[C:16])(-[C:17])-[C:18].[C:4](-[C:5])(=[O:6])-[Cl:19].[c:1]-[C:2]=[O:21]	2	34115,34116
+[O:1]=[C:2](-[C:3])-[N:4]-[O:5]>>[O:1]=[C:2](-[C:3])-[N:4]-[O:5]-[Si:7](-[C:6])(-[C:8])-[C:9]	2	34203,34204
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[Si:5](-[C:4])(-[C:6])-[C:7]	2	34210,34213
+[c:1]:1:[c:2](-[N:3]-[c:4]):[c:5](:[c:6]:[o:9]:1):[c:8]:[n:7]>>[N:3]-[c:4].[c:1]:1:[c:2](:[c:5](:[c:6]:[o:9]:1):[c:8]:[n:7])-[O:11]-[S:17](=[O:10])(-[C:12](-[F:13])(-[F:14])-[F:15])=[O:16]	2	34217,34218
+[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:11]):[c:6]:[c:7](-[c:8]):[n:9]:1-[c:10]>>[N:9]-[c:10].[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:11])-[C:6]-[C:7](-[c:8])=[O:13])=[O:12]	2	34241,54520
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:1>>[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6](:[c:7]):[c:9]:[c:8])-[N:10]=[N+:12]=[N-:11]	2	34243,56710
+[c:1](-[N:2](-[C:3])-[C:4](=[O:5])-[c:6]):[c:7]:[n:8]>>[c:1](-[N:2]-[C:3]):[c:7]:[n:8].[C:4](=[O:5])(-[c:6])-[Cl:9]	2	34263,50277
+[c:1]-[C:2]-[O:3]-[c:4]:1:[n:5]:[n:6](-[C:7]):[c:8]:[c:9]:1-[C:10](=[O:11])-[O:12]>>[c:1]-[C:2]-[Cl:13].[O:3]=[C:4]-1-[N:5]-[N:6](-[C:7])-[C:8]=[C:9]-1-[C:10](=[O:11])-[O:12]	2	34301,51840
+[c:1]-[C:2]-[O:3]-[c:4]:1:[n:5]:[n:6](-[c:7]):[c:8]:[c:9]:1-[C:10]=[O:11]>>[c:1]-[C:2]-[Cl:12].[O:3]=[C:4]-1-[N:5]-[N:6](-[c:7])-[C:8]=[C:9]-1-[C:10]=[O:11]	2	34303,34304
+[S:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[C:3](=[O:4])(-[C:5]=[C:6])-[O:7].[S:1]-[N:2]	2	34323,36911
+[C:1](-[c:2])-[Br:3]>>[C:1]-[c:2].[Br:3]-[N:11]-[C:9](-[C:8]-[C:7]-[C:5](-[N:4])=[O:6])=[O:10]	2	34328,41433
+[n:1]:[c:2]:[c:3]-[C:8](=[O:7])-[O:9]>>[n:1]:[c:2]:[c:3]-[C:8](=[O:7])-[N:10].[S:4](=[O:5])(-[O:6])(-[O:9])=[O:11]	2	34343,39077
+[c:1](:[c:2]:[n:3])-[O:7]-[S:5](=[O:4])(=[O:6])-[C:8](-[F:9])(-[F:10])-[F:11]>>[c:1](:[c:2]:[n:3])-[O:7].[O:4]=[S:5](=[O:6])(-[C:8](-[F:9])(-[F:10])-[F:11])-[O:15]-[S:13](=[O:12])(=[O:14])-[C:16](-[F:17])(-[F:18])-[F:19]	2	34349,38223
+[c:1]-[C:2](-[c:3])-[N:4]-1-[C:5]=[C:6]-[C:7]=[C:8](-[C:9](=[O:10])-[O:11])-[C:12]-1=[O:13]>>[c:1]-[C:2](-[c:3])-[Br:14].[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8](-[C:9](=[O:10])-[O:11]):[c:12]:1-[O:13]	2	34366,34435
+[c:1]-[C:2]-1-[C:3](-[C:4]#[N:5])=[C:6](-[C:7])-[N:8]-[C:9](-[C:10])=[C:11]-1-[C:12]#[N:13]>>[c:1]-[C:2]=[O:15].[C:3](-[C:4]#[N:5])-[C:6](-[C:7])=[O:14].[N:8]-[C:9](-[C:10])=[C:11]-[C:12]#[N:13]	2	34399,34400
+[c:1]-[O:5]-[C:4]-[C:3]-[C:2](=[O:6])-[O:7]>>[c:1]-[O:5].[C:2]-1(-[C:3]-[C:4]-[O:7]-1)=[O:6]	2	34431,43657
+[c:1](:[c:2])(:[n:3])-[O:10]-[S:7](-[c:6]:1:[c:5]:[c:4]:[c:14](:[c:12]:[c:11]:1)-[C:13])(=[O:8])=[O:9]>>[c:4]:1:[c:5]:[c:6](-[S:7](=[O:8])(=[O:9])-[Cl:15]):[c:11]:[c:12]:[c:14]:1-[C:13].[c:1](:[c:2])(:[n:3])-[O:10]	2	34512,49290
+[n:1]:[c:2](-[N:3]-[C:4]=[C:5]-[C:6](=[O:7])-[N:8]):[c:9]>>[C:4](=[C:5]-[C:6](=[O:7])-[N:8])-[O:10].[n:1]:[c:2](-[N:3]):[c:9]	2	34523,50097
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]:[c:7](:[c:8]):[c:9]):[c:10]>>[c:5](:[n:6]:[c:7](:[c:8]):[c:9])(:[c:10])-[Cl:11].[C:1]-[C:2](=[O:3])-[N:4]	2	34564,44088
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:1]=[C:2]-[C:3]-[c:4]	2	34599,51782
+[n:1]:1:[c:2]:[n:3]:[c:4](-[C:5]#[C:6]):[c:7]:1>>[n:1]:1:[c:2]:[n:3]:[c:4](:[c:7]:1)-[I:8].[C:5]#[C:6]	2	34617,34618
+[c:1]:1:[c:2]:[n:3](-[N:4]-[C:5](=[O:6])-[c:7](:[c:8]:[n:9]):[c:11]:[n:10]):[c:12](:[c:13]):[c:14]:1>>[C:5](=[O:6])(-[c:7](:[c:8]:[n:9]):[c:11]:[n:10])-[O:15].[c:1]:1:[c:2]:[n:3](-[N:4]):[c:12](:[c:13]):[c:14]:1	2	34631,34632
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]):[s:7])-[c:8]>>[C:1]-[N:2]-[c:8].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[O:9]	2	34641,50931
+[N:1]-[C:2](-[c:3]:[c:5]:[n:4])=[N:6]-[O:7]>>[N:1]#[C:2]-[c:3]:[c:5]:[n:4].[N:6]-[O:7]	2	34649,41330
+[N:1](-[c:2]:[c:4]:[n:3])=[C:5]=[S:6]>>[N:1]-[c:2]:[c:4]:[n:3].[C:5](=[S:6])(-[Cl:7])-[Cl:8]	2	34668,34982
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5])-[c:6](:[c:7]:[n:8]):[c:10]:[n:9]>>[O:1]-[C:2](=[O:3])-[C:4]-[c:6](:[c:7]:[n:8]):[c:10]:[n:9].[O:5]-1-[N:20](-[S:12](=[O:11])(=[O:13])-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[C:21]-1-[c:22]:3:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:3	2	34717,50315
+[c:1]:[c:5]:1:[n:4](:[c:3]:[c:2]):[c:8](:[c:7]:[n:6]:1)-[c:9]:2:[n:10]:[c:11]:[n:12]:[c:13]:[c:14]:2>>[c:1]:[c:5]:1:[n:4](:[c:3]:[c:2]):[c:8]:[c:7]:[n:6]:1.[c:9]:1(:[n:10]:[c:11]:[n:12]:[c:13]:[c:14]:1)-[I:15]	2	34732,40628
+[n:1]:[c:2]:[c:3](-[Cl:4]):[c:5]>>[Cl:4].[n:1]:[c:2]:[c:3]:[c:5]	2	34767,34792
+[C:1]-[O:2]-[C:3](-[N:4])=[O:5]>>[C:3](=[N:4]-[C:7](=[O:6])-[C:8](-[Cl:9])(-[Cl:10])-[Cl:11])=[O:5].[C:1]-[O:2]	2	34835,34836
+[c:1]:1:[c:2]:[c:3](-[I:4]):[c:5]:[n:6]:1>>[c:1]:1:[c:2]:[c:3]:[c:5]:[n:6]:1.[I:4]-[I:7]	2	34850,40529
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11]):[n:7].[N:5]-[C:6]	2	34851,34852
+[C:1]-[N:3]-[C:2]>>[C:1]-[N:3](-[C:2])-[C:5](=[O:4])-[O:6]-[C:7]-[C:8](-[Cl:9])(-[Cl:10])-[Cl:11]	2	34857,34861
+[O:1]=[C:2]-1-[N:3]-[c:4](:[c:5]:[n:6]):[c:8](:[n:7])-[N:9]-1-[c:10]>>[O:1]=[C:2](-[O:15]-[C:12](-[Cl:11])(-[Cl:13])-[Cl:14])-[O:16]-[C:17](-[Cl:18])(-[Cl:19])-[Cl:20].[N:3]-[c:4](:[c:5]:[n:6]):[c:8](:[n:7])-[N:9]-[c:10]	2	34880,34911
+[C:1]-1-[N:2]-[C:3](=[O:4])-[N:5](-[c:6](:[c:7]:[n:8]):[c:10]:[n:9])-[C:11]-1=[O:12]>>[C:3](=[O:4])(-[O:17]-[C:14](-[Cl:13])(-[Cl:15])-[Cl:16])-[O:18]-[C:19](-[Cl:20])(-[Cl:21])-[Cl:22].[C:1](-[N:2])-[C:11](-[N:5]-[c:6](:[c:7]:[n:8]):[c:10]:[n:9])=[O:12]	2	34921,34922
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[N:6]):[n:7](-[C:8]):[n:9]:[n:10]:1>>[N:7](-[C:8])=[N+:9]=[N-:10].[N:1]-[C:2](=[O:3])-[C:4]-[C:5]#[N:6]	2	34929,41277
+[c:1]-[O:2]-[C:3]-[C:4]=[C:5](-[Cl:6])-[Cl:7]>>[C:3](-[C:4]=[C:5](-[Cl:6])-[Cl:7])-[Cl:8].[c:1]-[O:2]	2	34931,34932
+[c:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[n:7]:1-[c:8]>>[c:1]-[C:2](-[C:3]-[C:4](-[C:5])=[O:10])=[O:9].[N:6]-[N:7]-[c:8]	2	34994,40033
+[C:1](=[O:2])-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4]):[c:5].[C:1](-[O:7]-[C:6])(-[Cl:8])-[Cl:9].[O:2]	2	35007,35008
+[C:1](-[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1)=[O:7]>>[C:1](-[O:7]-[C:8])(-[Cl:9])-[Cl:10].[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1	2	35015,35016
+[C:1]-[C:2](-[C:3](=[O:4])-[N:5])-[Cl:6]>>[C:1]-[C:2](-[C:3](=[O:4])-[N:5])(-[Cl:6])-[Cl:7]	2	35027,35031
+[C:1]-[c:2]:1:[c:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[C:1]-[C:2](-[C:3]-[Cl:9])=[O:8].[O:4]=[C:5](-[c:6])-[N:7]	2	35042,35045
+[c:1]-[C:4](-[C:3](-[N:2])=[O:9])(-[C:5]-[C:6])-[C:8]-[C:7]>>[C:5](-[C:6])-[Cl:10].[C:7]-[C:8]-[Cl:11].[c:1]-[C:4]-[C:3](-[N:2])=[O:9]	2	35054,35055
+[c:1]-[C:2](-[C:3])-[Cl:4]>>[Cl:4]-[C:6]-[Cl:5].[c:1]-[C:2](-[C:3])-[O:7]	2	35075,35107
+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[Cl:4]-[C:6]-[Cl:5].[C:1](=[O:2])(-[c:3])-[O:7]	2	35118,35119
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1-[C:7]-[c:8](:[n:9]):[c:10]>>[C:7](-[c:8](:[n:9]):[c:10])-[Cl:11].[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1	2	35147,39834
+[n:1]:[c:2]:[c:3](:[c:4])-[I:5]>>[n:1]:[c:2]:[c:3]:[c:4].[I:5]-[Cl:6]	2	35157,35160
+[C:1]-[C:2](=[O:3])-[Cl:4]>>[Cl:4]-[P:6](-[Cl:5])(-[Cl:7])(-[Cl:8])-[Cl:9].[C:1]-[C:2](=[O:3])-[O:10]	2	35172,35173
+[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:5]>>[Cl:5]-[P:7](-[Cl:6])(-[Cl:8])(-[Cl:9])-[Cl:10].[c:1]-[S:2](=[O:3])(=[O:4])-[O:11]	2	35175,35179
+[O:1]=[C:2]-[N:7]-[C:5](=[N:4]-[c:3])-[Cl:6]>>[Cl:6]-[P:9](=[O:8])(-[Cl:10])-[Cl:11].[O:1]=[C:2]-[N:7]-[C:5](-[N:4]-[c:3])=[O:12]	2	35186,35337
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[n:5]:[c:6]:[n:7]:[n:8]:2:[c:9](-[Cl:10]):[c:11]:1>>[C:1]-[C:2]-1=[N:3]-[c:4]:2:[n:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:11]-1)=[O:16].[Cl:10]-[P:13](=[O:12])(-[Cl:14])-[Cl:15]	2	35192,35244
+[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5](-[Cl:6]):[n:7]:[n+:8]:1>>[Cl:6]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5](:[n:7]:[n+:8]:1)-[O:13]	2	35233,35320
+[c:1]:[c:2](:[n:3]):[c:4](-[Cl:5]):[n:6]:[n:7]>>[Cl:5]-[P:9](=[O:8])(-[Cl:10])-[Cl:11].[c:1]:[c:2](:[n:3]):[c:4](:[n:6]:[n:7])-[O:12]	2	35348,35461
+[n:1]:[c:2]:1:[c:3](-[Cl:4]):[c:5]:[c:6]:[n:7]:[c:8]:1>>[Cl:4]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[n:1]:[c:2]:1:[c:3](:[c:5]:[c:6]:[n:7]:[c:8]:1)-[O:13]	2	35363,35403
+[c:1]:1:[n:2]:[n:3]:2:[c:4](-[c:5]):[c:6]:[c:7](:[n:8]:[c:9]:2:[c:10]:1)-[Cl:11]>>[Cl:11]-[P:13](=[O:12])(-[Cl:14])-[Cl:15].[c:1]:1:[n:2]:[n:3]:2-[C:4](-[c:5])=[C:6]-[C:7](-[N:8]-[c:9]:2:[c:10]:1)=[O:16]	2	35377,35408
+[c:1]:1(:[c:2]:[n:3]:[n:4]:[c:5]:[c:6]:1)-[Cl:7]>>[Cl:7]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[c:1]:1(:[c:2]:[n:3]:[n:4]:[c:5]:[c:6]:1)-[O:8]	2	35441,35482
+[c:1]-[N:2]=[C:3](-[Cl:4])-[C:5](=[O:6])-[N:7]>>[Cl:4]-[P:9](=[O:8])(-[Cl:10])-[Cl:11].[c:1]-[N:2]-[C:3](-[C:5](=[O:6])-[N:7])=[O:12]	2	35455,35460
+[C:1]-[C:2](-[Cl:3])-[c:4]:[c:6]:[n:5]>>[Cl:3]-[S:8](=[O:7])-[Cl:9].[C:1]-[C:2](-[c:4]:[c:6]:[n:5])-[O:10]	2	35569,35603
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]-[Cl:7]>>[Cl:7]-[S:9](=[O:8])-[Cl:10].[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]-[O:11]	2	35580,35799
+[c:1]:1(:[n:2]:[c:3](:[c:4](:[c:5]):[o:7]:1):[c:6])-[Cl:8]>>[Cl:8]-[S:10](=[O:9])-[Cl:11].[C:1]-1(-[N:2]-[c:3](:[c:4](:[c:5])-[O:7]-1):[c:6])=[S:12]	2	35682,35716
+[C:1]-[C:2](-[c:3](:[c:4]):[n:5])-[Cl:6]>>[Cl:6]-[S:8](=[O:7])-[Cl:9].[C:1]-[C:2](-[c:3](:[c:4]):[n:5])-[O:10]	2	35685,35802
+[c:1]:[n:11]:[c:4](:[n:3]:[c:2])-[n:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1:[c:10]>>[n:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1:[c:10].[c:1]:[n:11]:[c:4](:[n:3]:[c:2])-[Cl:12]	2	35856,40140
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[c:7]:2:[n:8]:[c:9]:[n:10]:[c:11]:[c:12]:2>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1.[c:7]:1(:[n:8]:[c:9]:[n:10]:[c:11]:[c:12]:1)-[Cl:13]	2	35859,40139
+[O:1]=[C:2](-[C:3]-[N:4]-[c:5])-[N:6]>>[O:1]=[C:2](-[C:3]-[Br:7])-[N:6].[N:4]-[c:5]	2	35864,36126
+[C:1]-[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[c:2](:[n:3]:[c:4]:[c:5])(:[c:6])-[Cl:15].[C:1]-[B:13]-1-[O:12]-[B:10](-[O:9]-[B:8](-[C:7])-[O:14]-1)-[C:11]	2	35873,43629
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[Cl:5].[N:1]	2	35901,40864
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](-[N:6]):[c:7](-[C:8]=[O:9]):[s:10]:1>>[C:7](-[C:8]=[O:9])-[Br:11].[N:4]-[C:5]#[N:6].[c:1]-[N:2]=[C:3]=[S:10]	2	35902,41319
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2]#[N:8].[O:3]=[C:6](-[C:5])-[O:7].[O:4]-[S:10](=[O:9])(=[O:11])-[O:12]	2	35903,44114
+[C:1]-[O:2]-[C:3]=[O:4]>>[O:2]-[C:3]=[O:4].[C:1]-[O:10]-[C:7](-[O:6]-[C:5])-[O:8]-[C:9]	2	35917,43198
+[n:1]:[c:2]:[c:3]-[O:4]-[C:5]-[C:6](-[F:7])(-[F:8])-[F:9]>>[n:1]:[c:2]:[c:3]-[O:4].[C:5](-[C:6](-[F:7])(-[F:8])-[F:9])-[O:17]-[S:15](-[C:10](-[F:11])(-[F:12])-[F:13])(=[O:14])=[O:16]	2	35938,38215
+[c:1]-1:[c:2]-[N:3]=[C:4](-[c:5](:[c:6]):[n:7])-[O:8]-[C:9]-1=[O:10]>>[c:1](:[c:2]-[N:3])-[C:9](=[O:10])-[O:12].[C:4](-[c:5](:[c:6]):[n:7])(-[O:8])=[O:11]	2	35992,36085
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[c:6]):[o:7]:1>>[C:1]-[C:2](-[N:3]-[C:4]-[C:5](-[c:6])=[O:7])=[O:8]	2	36000,43038
+[O:1]-[C:2](-[c:3]:[c:4]:[n:5])-[C:6](-[F:7])(-[F:8])-[F:9]>>[O:1]=[C:2]-[c:3]:[c:4]:[n:5].[C:6](-[F:7])(-[F:8])(-[F:9])-[Si:12](-[C:10])(-[C:11])-[C:13]	2	36015,38333
+[C:1]-1(=[C:2]-[N:3](-[C:4]-[c:5])-[C:6](=[O:7])-[C:8]=[C:9]-1)-[Br:10]>>[C:4](-[c:5])-[Br:11].[c:1]:1(:[c:2]:[n:3]:[c:6](-[O:7]):[c:8]:[c:9]:1)-[Br:10]	2	36027,51587
+[c:1]:1(:[n:2]:[c:3](:[c:4]):[c:6](:[c:5]):[c:7]:[n:8]:1)-[O:9]>>[N:2]-[c:3](:[c:4]):[c:6](:[c:5])-[C:7]=[O:11].[C:1](-[N:8])(=[O:9])-[N:10]	2	36035,42032
+[c:1]:[c:2](-[N:3]=[C:4]-[c:5]):[n:6]>>[c:1]:[c:2](-[N:3]):[n:6].[C:4](-[c:5])=[O:7]	2	36047,36241
+[C:1]-[C:2](=[C:3](-[C:4](=[O:5])-[N:6]-[c:7])-[C:8])-[N:9]>>[C:1]-[C:2](=[C:3](-[C:4](=[O:5])-[O:10])-[C:8])-[N:9].[N:6]-[c:7]	2	36073,42648
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1-[c:8](:[n:9]):[c:10]>>[C:1]-[O:2].[C:3]-1(-[C:4]-[C:5]=[N:6]-[N:7]-1-[c:8](:[n:9]):[c:10])=[O:11]	2	36080,36081
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]:[c:8]:[n:7]>>[c:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[c:6]:[c:8]:[n:7])-[Cl:9]	2	36090,45459
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[N:7].[c:1]:[c:2]:[c:6]	2	36097,51015
+[n:1]:1:[c:2](-[S:3]-[c:4](:[c:5]):[c:6]):[n:7]:[c:8]:2:[c:9]:[n:10]:[c:11]:[n:12]:[c:13]:1:2>>[c:4](:[c:5])(:[c:6])-[I:14].[N:1]-1-[C:2](=[S:3])-[N:7]-[c:8]:2:[c:9]:[n:10]:[c:11]:[n:12]:[c:13]-1:2	2	36172,39510
+[c:1](:[n:2]):[c:4]:1:[c:3]:[n:8]:[n:7]:[c:5]:1-[I:6]>>[c:1](:[n:2]):[c:4]:1:[c:3]:[n:8]:[n:7]:[c:5]:1.[I:6]-[I:9]	2	36303,37040
+[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:6]>>[c:1]-[C:2]=[O:13].[C:3](-[C:4](=[O:5])-[O:6])=[P:18](-[c:17]:1:[c:11]:[c:12]:[c:14]:[c:15]:[c:16]:1)(-[c:19]:2:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:2)-[c:25]:3:[c:10]:[c:9]:[c:8]:[c:7]:[c:26]:3	2	36352,53000
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[C:2]-[O:6].[c:3](:[c:4]):[c:5]	2	36367,53489
+[O:1]=[C:2](-[C:3])-[O:4]>>[C:2](-[C:3])-[O:4].[O:1]	2	36412,42991
+[n:1]:1:[c:2]:[c:3]:[c:4](-[C:5]#[N:6]):[c:7]:1>>[n:1]:1:[c:2]:[c:3]:[c:4]:[c:7]:1.[C:5](#[N:6])-[C:8]	2	36506,41211
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[c:1]-[C:2](=[O:11])-[O:12].[N:3]-[c:4]:1:[c:5]:[n:6]:[c:7]:[n:8]:[c:9]:1-[N:10]	2	36530,42453
+[c:1]:[c:2](-[O:3]-[C:6](-[C:5])=[O:7]):[c:4]>>[O:3]-[O:10]-[C:9](=[O:8])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15](-[Cl:16]):[c:17]:1.[c:1]:[c:2](:[c:4])-[C:6](-[C:5])=[O:7]	2	36613,36632
+[C:1]-[C:2](-[N:3])=[O:4]>>[C:1]-[C:2](-[N:3]-[N:5])=[O:4]	2	36783,56915
+[C:1]-[N:2](-[C:3]-[c:4](:[c:5]:[n:6]):[n:7])-[C:8]>>[C:3](-[c:4](:[c:5]:[n:6]):[n:7])-[Cl:9].[C:1]-[N:2]-[C:8]	2	36898,43723
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]>>[c:1]:[c:2](-[C:3]=[N:4]-[O:6]):[n:5]	2	36954,49869
+[n:1]:[c:2]:[c:3](-[C:4](-[c:5])-[O:8]):[c:6]:[n:7]>>[n:1]:[c:2]:[c:3](:[c:6]:[n:7])-[Br:9].[C:4](-[c:5])=[O:8]	2	36976,44708
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6]:2:[c:7]:[n:8]:[c:9]:[c:10]:2):[n:11]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:11]:1)-[Cl:12].[c:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:1	2	36980,50305
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[C:6]=[C:7]):[c:8]:1>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:8]:1)-[Cl:9].[C:6](=[C:7])-[B:11](-[O:10])-[O:12]	2	37004,46388
+[n:1]:[c:2]:1:[c:3]:[s:4]:[c:5]:[c:6]:1-[c:7](:[c:8]):[c:9]>>[n:1]:[c:2]:1:[c:3]:[s:4]:[c:5]:[c:6]:1-[Br:10].[c:7](:[c:8])(:[c:9])-[B:12](-[O:11])-[O:13]	2	37038,46710
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:9].[c:1]:[c:2](:[c:8])-[O:13]-[B:11](-[O:10])-[O:12]	2	37068,37069
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](-[N:7]):[c:8]:1>>[N:3]-[N:4]-[c:5].[C:1]-[C:2](-[C:8]-[C:6](-[N:7])=[S:10])=[O:9]	2	37071,37072
+[c:1]-[S:2](=[O:3])(=[O:4])-[F:5]>>[F:5].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:6]	2	37098,37110
+[C:1]-[O:2]-[C:3](-[F:4])-[F:5]>>[C:3](-[C:10](-[F:4])(-[F:5])-[S:7](=[O:6])(=[O:8])-[F:9])(=[O:11])-[O:12].[C:1]-[O:2]	2	37129,37130
+[N:1]#[C:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7](-[c:8](:[n:9]):[c:10]):[c:11]:1>>[N-:1]=[C:2]=[C:3]-1-[N+:4](-[C:5]=[C:6]-[C:7](-[c:8](:[n:9]):[c:10])=[C:11]-1)=[O:12]	2	37142,39698
+[c:1]-[N:2]-1-[C:3](=[O:4])-[C:5]=[C:6](-[C:7])-[N:8]-[C:9]-1=[O:10]>>[C:3](=[O:4])(-[C:5]=[C:6](-[C:7])-[N:8])-[O:14]-[C:13]-[C:12].[c:1]-[N:2]-[C:9](=[O:10])-[O:11]-[C:16]-[C:15]	2	37181,37182
+[c:1]-[C:2]-1=[N:3]-[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])(-[C:9]-[N:10]-1-[c:11])-[O:12]>>[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])(-[C:9]-[Br:13])=[O:12].[c:1]-[C:2](-[N:3])=[N:10]-[c:11]	2	37192,37193
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[F:8]):[n:9]:[n:10]:1>>[C:1]-[C:2](-[C:3]-[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])=[O:12])=[O:11].[N:9]-[N:10]	2	37196,37199
+[c:1]-[C:3](-[c:2])-[C:4](-[C:5])-[C:6]>>[c:1]-[C:3](-[c:2])=[C:4](-[C:5])-[C:6]	2	37216,56108
+[N:1]=[S:2]>>[N:1](=[S:2])-[C:8](-[C:3](-[F:4])(-[F:5])-[F:6])=[O:7]	2	37240,37509
+[C:1](-[N:2])-[C:3](=[O:4])-[N:5]>>[C:1](-[N:2]-[C:7](=[O:6])-[C:8](-[F:9])(-[F:10])-[F:11])-[C:3](=[O:4])-[N:5]	2	37242,37245
+[N:1]-[C:2].[c:3]-[C:4]=1-[N:5]-[N:6]-[C:7](=[O:8])-[N:9]=1>>[N:1](-[C:2])-[C:11](=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15].[c:3]-[C:4]-1=[N:5]-[N:6]-[C:7](=[O:8])-[N:9]-1	2	37277,37550
+[n:1]:[c:3](:[c:2])-[N:4]>>[n:1]:[c:3](:[c:2])-[N:4]-[C:6](=[O:5])-[C:7](-[F:8])(-[F:9])-[F:10]	2	37286,37570
+[c:1]-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[c:9]:1-[c:10](:[n:11]):[c:12]>>[c:1]-[C:2]#[C:9]-[c:10](:[n:11]):[c:12].[N:3]-[n+:4](:[c:5]:[c:6]):[c:8]:[c:7]	2	37296,50811
+[N:1]-[c:2](:[c:3]:[n:4]):[n:5]>>[N:1](-[c:2](:[c:3]:[n:4]):[n:5])-[C:7](=[O:6])-[C:8](-[F:9])(-[F:10])-[F:11]	2	37299,37300
+[C:1]-[C:2](=[O:3])-[c:4]>>[O:3]=[C:21](-[O:20]-[c:19]:1:[c:13](-[O:12]-[C:11](=[O:10])-[C:26](-[F:27])(-[F:28])-[F:29]):[c:14](-[I:15]):[c:16]:[c:17]:[c:18]:1)-[C:22](-[F:23])(-[F:24])-[F:25].[C:1]-[C:2]-1(-[c:4])-[S:7]-[C:6]-[C:5]-[C:9]-[S:8]-1	2	37357,37358
+[C:1]-[c:2]:1:[c:3](-[C:4](-[F:5])(-[F:6])-[F:7]):[n:8]:[c:9]:2:[c:10]:[c:11]:[c:12]:[n:13]:[n:14]:1:2>>[C:1]-[C:2](-[C:3](-[C:4](-[F:5])(-[F:6])-[F:7])=[O:15])-[Br:16].[N:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[n:13]:[n:14]:1	2	37371,37372
+[C:1](-[C:8]=[C:2](-[c:3])-[C:4](-[F:5])(-[F:6])-[F:7])=[O:9]>>[C:1](-[C:8]-[C:2](-[c:3])(-[C:4](-[F:5])(-[F:6])-[F:7])-[O:10])=[O:9]	2	37413,37589
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5](-[C:6])=[N:7]-[N:8]-1-[c:9]):[n:10]>>[c:1]:[c:2](-[C:3]=[C:4]-[C:5](-[C:6])=[O:11]):[n:10].[N:7]-[N:8]-[c:9]	2	37444,37445
+[c:1]:[c:2](-[C:3](-[F:4])(-[F:5])-[C:6](-[F:7])(-[F:8])-[F:9]):[c:10]>>[c:1]:[c:2](:[c:10])-[I:11].[C:3](-[F:4])(-[F:5])(-[C:6](-[F:7])(-[F:8])-[F:9])-[C:13](=[O:12])-[O:14]	2	37448,37449
+[c:1]:[c:2](-[C:3]-[O:4]-[c:5]):[o:6]>>[c:1]:[c:2](-[C:3]-[Br:7]):[o:6].[O:4]-[c:5]	2	37489,50648
+[c:1]-[C:2]-[N:3]-[c:4](:[n:5]):[o:6]>>[N:3]-[c:4](:[n:5]):[o:6].[c:1]-[C:2]=[O:7]	2	37590,37591
+[C:1](=[O:2])(-[C:3]-[N:4])-[O:5]>>[C:1]-1(=[O:2])-[C:3]-[N:4]-[C:7](=[O:6])-[N:8]-1.[O:5]	2	37687,42979
+[C:1]-[C:2]-[N:3]-[c:4]>>[C:1]-[C:2]-[O:13]-[S:10](-[c:9]:1:[c:8]:[c:7]:[c:6](-[C:5]):[c:15]:[c:14]:1)(=[O:11])=[O:12].[N:3]-[c:4]	2	37692,52842
+[N:1]-1-[C:2]-[C:3]=[C:4](-[C:5])-[N:6](-[C:7])-[C:8]-1=[O:9]>>[N:1]-1-[C:2]-[C:3]=[C:4](-[C:5])-[N:6]-[C:8]-1=[O:9].[C:7]-[O:15]-[S:12](-[O:11]-[C:10])(=[O:13])=[O:14]	2	37718,37790
+[C:1](-[c:2])-[I:3]>>[C:1](-[c:2])-[O:5].[I:3]-[I:4]	2	37738,40569
+[C:1](-[O:2])(-[C:3]-[N:4])=[O:5]>>[C:1](-[O:2])(-[C:3]-[N:4]=[N+:7]=[N-:6])=[O:5]	2	37799,47838
+[O:1]=[C:2](-[C:3])-[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[O:1]=[C:2](-[C:3])-[Cl:10].[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1	2	37852,42436
+[N:1]-[C:2](=[O:3])-[c:4](:[n:5]):[c:6]>>[N:1]#[C:2]-[c:4](:[n:5]):[c:6].[O:3]-[N:7]	2	37937,39079
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[C:6](=[O:7])-[O:8]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Cl:9].[C:6](=[O:7])-[O:8]	2	37970,49264
+[S:1]-[n:2]:1:[c:3](-[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2):[c:9]:[c:10]:3:[c:11]:1:[c:12]:[c:13]:[n:14]:[c:15]:3>>[C:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)#[C:9].[S:1]-[N:2]-[c:11]:1:[c:10](:[c:15]:[n:14]:[c:13]:[c:12]:1)-[I:16]	2	37991,45180
+[C:1]=[C:2](-[C:3](=[O:4])-[N:5]-[C:6])-[N:7]>>[N:5]-[C:6].[C:1]=[C:2](-[C:3](=[O:4])-[O:8])-[N:7]	2	38044,39331
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[n:6])-[c:7]>>[O:1]=[C:2](-[c:7])-[O:8].[N:3]-[c:4](:[n:5]):[n:6]	2	38048,56827
+[C:1](=[O:2])-[C:3](=[O:4])-[O:5]>>[C:1](=[O:2])-[C:3](=[O:4])-[O:5]-[C:6]	2	38053,43915
+[O:1]-[C:2]-[c:3](:[n:4]):[s:5]>>[O:1]=[C:2](-[c:3](:[n:4]):[s:5])-[O:8]-[C:7]-[C:6]	2	38061,54503
+[c:1]:[c:2](-[N:3]-1-[C:4](=[O:5])-[C:6](-[O:7])=[C:8](-[C:9]=[O:10])-[C:11]-1-[c:12]):[n:13]>>[C:11](-[c:12])=[O:17].[C:4](=[O:5])(-[C:6](=[O:7])-[C:8]-[C:9]=[O:10])-[O:16]-[C:15]-[C:14].[c:1]:[c:2](-[N:3]):[n:13]	2	38096,53576
+[c:1]:1:[n:2]:[n:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]:1>>[c:4](:[c:5])(:[c:6])-[I:9].[c:1]:1:[n:2]:[n:3]:[c:7]:[n:8]:1	2	38111,39069
+[C:1]-[C:2](=[O:3])-[N:4]-1-[C:5]-[C:6](=[O:7])-[N:8]-[c:9]:[c:10]-1:[n:11]>>[C:1]-[C:2](=[O:3])-[O:12].[N:4]-1-[C:5]-[C:6](=[O:7])-[N:8]-[c:9]:[c:10]-1:[n:11]	2	38125,38140
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[B:11](-[O:10])-[O:12]	2	38129,44733
+[N:1]-[N:2]-[c:3](:[n:4]:[c:5]):[n:7]:[c:6]>>[c:3](:[n:4]:[c:5])(:[n:7]:[c:6])-[Cl:8].[N:1]-[N:2]	2	38135,38825
+[n:1]:[c:2]:[c:3]-[N:4]-[C:5](=[S:6])-[N:7]-[c:8]>>[C:5](=[S:6])=[N:7]-[c:8].[n:1]:[c:2]:[c:3]-[N:4]	2	38151,52888
+[N:1]-1-[C:2](=[O:3])-[c:4]:2:[c:5](:[n:6]:[c:7](-[C:8]):[n:9]:2)-[N:10]-[C:11]-1=[O:12]>>[N:1]-1-[C:2](=[O:3])-[C:4](=[C:5](-[N:6])-[N:10]-[C:11]-1=[O:12])-[N:9]-[C:7](-[C:8])=[O:13]	2	38162,54936
+[C:1]-[C:2]-[c:3](:[c:4]):[n:6]:[n:5]>>[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:7].[C:1]-[C:2]-[Zn+:8]	2	38164,41302
+[c:1]:[c:2](-[C:3](=[C:4](-[C:5](=[O:9])-[O:19])-[C:6])-[C:7]):[c:8]>>[C:3](=[C:4](-[C:5](=[O:9])-[O:19])-[C:6])(-[C:7])-[O:11]-[S:21](=[O:10])(-[C:12](-[F:13])(-[F:14])-[F:15])=[O:20].[c:1]:[c:2](:[c:8])-[B:17](-[O:16])-[O:18]	2	38204,38209
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:1]:[c:2](:[c:7])-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15].[c:3](:[c:4])(:[c:6]:[n:5])-[B:17](-[O:16])-[O:18]	2	38265,38291
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[n:6]:[c:7]:[c:8]>>[c:1]:[c:2](:[n:6]:[c:7]:[c:8])-[O:12]-[S:10](=[O:9])(=[O:11])-[C:13](-[F:14])(-[F:15])-[F:16].[c:3](:[c:4])(:[c:5])-[B:18](-[O:17])-[O:19]	2	38280,38317
+[c:1]-[N:7](-[C:5](-[C:3](-[N:2])=[O:4])=[O:6])-[O:8]>>[c:1]-[N+:7](-[O-:8])=[O:12].[N:2]-[C:3](=[O:4])-[C:5](=[O:6])-[O:11]-[C:10]-[C:9]	2	38372,44229
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Zn+:10]	2	38377,48822
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:5]-[C:4]=[C:3]	2	38384,38810
+[C:1]-[C:2](-[C:3]-[c:4])-[C:5]=[O:6]>>[C:1]-[C:2](=[C:3]-[c:4])-[C:5]=[O:6]	2	38427,56185
+[O:1]-[C:2](-[C:3](=[O:4])-[N:8])-[C:5](-[O:6])-[c:7]>>[C:5](=[O:6])-[c:7].[O:1]-[C:2]-[C:3](=[O:4])-[N:8]	2	38429,52254
+[n:1]:[c:4](:[c:3]:[n:2]):[c:5](-[N+:6](=[O:8])-[O-:9]):[c:7]>>[n:1]:[c:4](:[c:3]:[n:2]):[c:5]:[c:7].[N+:6](=[O:8])(-[O-:9])-[O:10]	2	38450,47621
+[N:1]-[C:6](-[C:4](=[C:3]-[C:2])-[O:5])=[O:7]>>[N:1]-[C:6](-[C:4](=[C:3]-[C:2])-[O:5]-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1)=[O:7]	2	38451,55943
+[c:1]:1:[c:2](-[N+:3](=[O:4])-[O-:5]):[c:6]:[n:7]:[n:8]:1>>[c:1]:1:[c:2]:[c:6]:[n:7]:[n:8]:1.[N+:3](-[O:4])(-[O-:5])=[O:9]	2	38464,47703
+[C:1]-[N:2](-[c:3](:[c:4]):[n:5])-[c:7](:[c:6]):[n:8]:[c:9]:[c:10]>>[C:1]-[N:2]-[c:3](:[c:4]):[n:5].[c:6]:[c:7](:[n:8]:[c:9]:[c:10])-[Cl:11]	2	38482,57047
+[c:1]-[C:2](-[N:3]-[c:4])-[N:7](-[C:5]=[O:6])-[C:8]>>[N:3]-[c:4].[C:5](=[O:6])-[N:7]-[C:8].[c:1]-[C:2]=[O:9]	2	38508,44812
+[N:1]-1-[C:2](=[O:3])-[N:4](-[c:5](:[c:6]):[c:7])-[C:8](=[O:9])-[C:10]-1>>[c:5](:[c:6])(:[c:7])-[Br:11].[N:1]-1-[C:2](=[O:3])-[N:4]-[C:8](=[O:9])-[C:10]-1	2	38569,38570
+[N:1](-[C:2]-[C:3])=[N+:5]=[N-:4]>>[C:2](-[C:3])-[O:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13].[N:1](=[N+:5]=[N-:4])-[C:31]-[C:30]-1-[O:29]-[c:21]:2:[c:20](:[c:19]:[c:18](-[Cl:17]):[c:28]:[c:22]:2-[c:23]:3:[c:24]:[c:25]:[s:26]:[c:27]:3)-[C:32]-1	2	38589,47859
+[c:1]-[C:2](-[N:3]-[N:4]-[C:5]=[O:6])=[O:7]>>[N:3]-[N:4]-[C:5]=[O:6].[c:1]-[C:2](=[O:7])-[O:8]	2	38615,49688
+[N:1]#[C:2]-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1>>[N:1]-[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)=[O:8]	2	38621,40092
+[N:1]#[C:2]-[c:4](:[c:3]):[c:5]>>[c:3]:[c:4](:[c:5])-[Cl:6].[N:1]#[C:2]	2	38647,41145
+[n:1]:[c:2](-[C:3](-[N:4]-[N:5])=[O:6]):[c:7]:[n:8]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:10]-[C:9]):[c:7]:[n:8].[N:4]-[N:5]	2	38666,42249
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[n:6]:[c:7]:[c:8]:[n:9]:[n:10]:1:2>>[N:3]-[N:4]-[c:5]:1:[n:6]:[c:7]:[c:8]:[n:9]:[n:10]:1.[C:1]-[C:2](-[O:13]-[C:12]-[C:11])(-[O:14])-[O:15]	2	38688,46865
+[n:1]:1:[n:2]:[c:3](-[I:4]):[c:5]:[c:7]:1:[n:6]>>[n:1]:1:[n:2]:[c:3]:[c:5]:[c:7]:1:[n:6].[I:4]-[N:12]-1-[C:10](-[C:9]-[C:8]-[C:14]-1=[O:13])=[O:11]	2	38780,44422
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6](:[c:5]:[n:8]):[n:7]):[c:9]>>[c:3](:[c:4])(:[c:6](:[c:5]:[n:8]):[n:7])-[I:10].[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13]	2	38796,46701
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[S:7]):[c:8]>>[n:1]:[c:2](-[N:3]):[c:8].[N:6]-[S:7].[C:4](=[O:5])(-[Cl:9])-[O:10]-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1	2	38807,45581
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+[C:1]-[C:10]=[C:5](-[C:3](-[N:2])=[O:4])-[C:6](=[O:7])-[N:8]-[C:9]>>[C:1]-[C:10]=[C:5](-[C:3](-[N:2])=[O:4])-[C:6](=[O:7])-[O:11].[N:8]-[C:9]	2	38814,41597
+[C:1]=[C:2]-[c:3]>>[C:2](-[c:3])=[O:8].[C:1]-[P+:13](-[c:12]:1:[c:6]:[c:7]:[c:9]:[c:10]:[c:11]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:5]:[c:4]:[c:23]:[c:22]:[c:21]:3	2	38840,49524
+[C:1](-[C:2])-[I:3]>>[C:1](-[C:2])-[O:4].[I:3]	2	38842,40448
+[n:1]:[c:2]:[c:3]-[O:4]-[c:5]:1:[n:6]:[c:7]:[n:8]:[c:9]:[c:10]:1>>[c:5]:1(:[n:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[Cl:11].[n:1]:[c:2]:[c:3]-[O:4]	2	38891,39268
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6](:[n:7]):[s:8]>>[c:1]-[S:2](=[O:3])(=[O:4])-[O:16]-[c:15]:1:[c:13](:[c:11](:[c:10](-[F:9]):[c:19](:[c:17]:1-[F:18])-[F:20])-[F:12])-[F:14].[N:5]-[c:6](:[n:7]):[s:8]	2	38892,40265
+[N:1]=[C:2](-[O:3]-[C:4])-[N:5]>>[O:3]-[C:4].[N:1]-[C:2]#[N:5]	2	38944,39204
+[c:1]-[C:2](-[O:3])-[C:4]-[N:5](-[C:6])-[C:7]>>[c:1]-[C:2](=[O:3])-[C:4]-[Br:8].[N:5](-[C:6])-[C:7]	2	38946,50527
+[N:1]-[C:2](-[N:3])=[N:4]-[c:5]>>[N:4]-[c:5].[N:1]#[C:2]-[N:3]	2	38952,41318
+[O:1]-[C:2]-[C:3]-[C:5](-[N:4])=[O:6]>>[O:1]=[C:2](-[C:3]-[C:5](-[N:4])=[O:6])-[O:9]-[C:8]-[C:7]	2	39000,54885
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+[n:1]:[c:2](:[c:3]):[n:11]:1:[c:5](:[c:4]):[n:6]:[c:7](-[C:8](=[O:9])-[O:12]):[c:10]:1>>[n:1]:[c:2](:[c:3]):[n:11]:[c:5](:[c:4])-[N:6].[C:7](-[C:8](=[O:9])-[O:12])(-[C:10]-[Br:14])=[O:13]	2	39081,44251
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[c:8]):[c:9]>>[N:5]-[c:6](:[n:7]):[c:8].[n:1]:[c:2](-[C:3](=[O:4])-[O:10]):[c:9]	2	39086,55641
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+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]):[c:6]:1>>[c:1]:1:[c:2](:[n:3]:[c:4](:[c:5]):[c:6]:1)-[C:9](-[O:7])=[O:8]	2	39106,51424
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]:[n:8]>>[c:1]:[c:2](:[c:7]:[n:8])-[I:9].[c:3](:[c:4])(:[c:6]:[n:5])-[B:11](-[O:10])-[O:12]	2	39112,46770
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+[O:1]=[C:2]-1-[N:3](-[C:4]-[c:5]:[c:7]:[n:6])-[N:8]=[C:9]-[N:10]-1>>[C:4](-[c:5]:[c:7]:[n:6])-[Cl:11].[O:1]=[C:2]-1-[N:3]-[N:8]=[C:9]-[N:10]-1	2	39238,39925
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[c:6]:[c:8]:[n:7]):[n:9]>>[C:4](=[O:5])(-[c:6]:[c:8]:[n:7])-[O:10].[n:1]:[c:2](-[N:3]):[n:9]	2	39240,49689
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+[C:1]-[N:2]-1-[O:3]-[C:4](=[O:5])-[N:6]-[C:7]-1=[O:8]>>[C:1]-[N:2]-[O:3].[C:4](=[O:5])(-[N:6]=[C:7]=[O:8])-[Cl:9]	2	39354,41452
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8]):[c:11]>>[c:1]:[c:2](:[c:11])-[B:14](-[O:13])-[O:15].[c:3]:1(:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[I:12]	2	39386,53409
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[o:9]:1>>[C:1]-[C:2](-[O:9]-[C:8]-[C:13](-[c:5](:[c:6]):[c:7])=[O:12])=[O:14].[N:3]-[C:4](-[C:10])=[O:11]	2	39395,44086
+[O:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:[c:7]:1-[c:8]>>[O:1]=[C:2]-1-[N+:3](=[C:4]-[C:5]=[C:6]-[C:7]-1-[c:8])-[O-:9]	2	39419,53640
+[n:1]:[c:2](-[N:3]-[C:4]-[c:5]):[n:6]>>[C:4](-[c:5])=[O:7].[n:1]:[c:2](-[N:3]):[n:6]	2	39439,43546
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[o:8]:1>>[c:5](:[c:6])(:[c:7])-[I:9].[c:1]:1:[c:2]:[n:3]:[c:4]:[o:8]:1	2	39511,50630
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7]>>[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7].[C:1]-[C:2]-[O:17]-[S:14](-[c:13]:1:[c:12]:[c:11]:[c:10](-[C:9]):[c:19]:[c:18]:1)(=[O:15])=[O:16]	2	39547,43889
+[c:1]:1:[c:2]:[n:3]:[c:4](-[C:5]):[n:6]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:6]:1)-[Br:7].[C:5]-[B:14]-1-[O:13]-[B:11](-[O:10]-[B:9](-[C:8])-[O:15]-1)-[C:12]	2	39561,43627
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]-[C:7]-[C:8](=[O:9])-[O:10]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]=[C:7]-[C:8](=[O:9])-[O:10]	2	39571,39833
+[N:1]-[C:2]-[c:3]:1:[c:4](-[c:5]):[n:6]:[c:7](-[c:8]):[n:9]:[c:10]:1-[N:11]>>[N:6]=[C:7](-[c:8])-[N:9].[N:1]#[C:2]-[C:3](=[C:4]-[c:5])-[C:10]#[N:11]	2	39616,41235
+[O:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[O:9]):[c:10]:1-[c:11]>>[O:1]=[C:2](-[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[O:13]-[C:12])-[C:10]-[c:11]	2	39636,50448
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:8]-[S:5](-[C:4])(=[O:6])=[O:7].[N:1]	2	39722,40699
+[c:1]:1:[c:2]:[c:4](:[c:3]):[n:5]:[n:6]:1-[C:7]-[c:8]>>[c:1]:1:[c:2]:[c:4](:[c:3]):[n:5]:[n:6]:1.[C:7](-[c:8])-[Br:9]	2	39725,51418
+[O:1]=[C:2](-[N:3]-[C:4]-[C:5](=[O:6])-[N:7])-[c:8]:[c:9]:[n:10]>>[N:3]-[C:4]-[C:5](=[O:6])-[N:7].[O:1]=[C:2](-[c:8]:[c:9]:[n:10])-[O:11]	2	39743,41602
+[c:1]:[c:2](-[c:3]:1:[c:4](:[c:5]):[n:6]:[n:7]:[c:8]:1):[c:9]>>[c:3]:1(:[c:4](:[c:5]):[n:6]:[n:7]:[c:8]:1)-[Br:10].[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13]	2	39799,46665
+[C:1]#[C:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[I:9].[C:1]#[C:2]	2	39848,40627
+[c:1](:[n:2]):[c:4](:[c:3])-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]>>[c:1](:[n:2]):[c:4](:[c:3])-[B:10](-[O:11])-[O:13].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Br:12]	2	39890,46764
+[C:1]-[c:2](:[c:3]:[n:4]):[c:5]>>[c:2](:[c:3]:[n:4])(:[c:5])-[Br:6].[C:1]-[B:13]-1-[O:12]-[B:10](-[O:9]-[B:8](-[C:7])-[O:14]-1)-[C:11]	2	39938,43631
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+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](:[n:9]:1)-[O:10]>>[C:1]-[C:2](=[O:11])-[O:12].[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[C:8](-[N:9])=[O:10]	2	40018,40019
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+[n:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5]:1:[n:6]:[c:7](-[C:8]):[n:9]:[c:10]:2-[O:11]>>[C:7](-[C:8])(-[O:14]-[C:13]-[C:12])=[O:15].[n:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:1-[N:6])-[C:10](-[N:9])=[O:11]	2	40084,40113
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[c:6]:[c:7]:[n:8]:1):[c:9]>>[c:4]:1(:[n:5]:[c:6]:[c:7]:[n:8]:1)-[Br:13].[n:1]:[c:2]:[c:3](:[c:9])-[B:11](-[O:10])-[O:12]	2	40095,48245
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+[C:1](-[c:2](:[n:3]):[c:4])(=[O:5])-[N:7](-[O:6])-[C:8]>>[C:1](-[c:2](:[n:3]):[c:4])(-[O:5])=[O:9].[O:6]-[N:7]-[C:8]	2	40162,41551
+[C:1]-[C:2](-[C:3](=[C:4](-[Br:5])-[C:6])-[N:7])-[N:8](-[C:9]=[O:10])-[C:11]=[O:12]>>[C:1]-[C:2](-[C:3](=[C:4](-[Br:5])-[C:6])-[N:7])-[O:13].[N:8](-[C:9]=[O:10])-[C:11]=[O:12]	2	40218,46833
+[C:1](=[O:2])(-[N:3]-[c:4](:[c:5]):[o:6])-[O:7]>>[N:3]-[c:4](:[c:5]):[o:6].[C:1](=[O:2])(-[O:7])-[Cl:8]	2	40223,42563
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5]-1):[c:6]>>[C:3]-1(-[C:4]-[C:5]-1)-[B-:9](-[F:8])(-[F:10])-[F:11].[c:1]:[c:2](:[c:6])-[Br:7]	2	40245,40246
+[c:1]:[c:2](-[F:3]):[c:4]>>[F:3]-[B-:7](-[F:6])(-[F:8])-[F:9].[c:1]:[c:2](:[c:4])-[N:5]	2	40253,40254
+[S:1]=[C:2](-[c:3](:[c:4]:[n:5]):[n:6])-[N:7]>>[C:2](-[c:3](:[c:4]:[n:5]):[n:6])#[N:7].[S:1]	2	40262,47372
+[c:1]:1:[n:2]:[c:3](-[n:4]:2:[n:5]:[c:6]:[c:7]:[c:9]:2:[c:8]):[n:10]:[c:11]:[c:12]:1>>[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[c:8].[c:1]:1:[n:2]:[c:3](:[n:10]:[c:11]:[c:12]:1)-[Cl:13]	2	40285,42789
+[c:1]-[C:2](=[O:3])-[C:4]=[O:5]>>[c:1]-[C:2](-[O:3])-[C:4]=[O:5]	2	40309,40310
+[N:1]-[C:2](=[O:3])-[N:4]-[C:5]=[O:6]>>[N:1]-[C:2](=[O:3])-[N:4](-[C:5]=[O:6])-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:17]:[c:14]:1-[O:15]-[C:16]	2	40338,53100
+[N:1]-[C:2](=[O:3])-[C:4]-[I:5]>>[I:5].[N:1]-[C:2](=[O:3])-[C:4]-[Cl:6]	2	40449,40483
+[n:1]:1:[c:2](-[I:3]):[c:4]:[c:5]:[c:6]:1>>[I:3]-[I:7].[n:1]:1:[c:2]:[c:4]:[c:5]:[c:6]:1	2	40507,40555
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+[C:1]#[C:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[I:9].[C:1]#[C:2]	2	40620,53504
+[c:1]:1:[c:2]:2:[c:3]:[n:4]:[n:5](-[c:6]):[c:7]:2:[n:8]:[c:9]:[c:10]:1>>[c:1]:1:[c:2](-[C:3]=[O:11]):[c:7](:[n:8]:[c:9]:[c:10]:1)-[F:12].[N:4]-[N:5]-[c:6]	2	40624,40625
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1-[C:6]-[C:7]>>[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1.[C:6](-[C:7])-[O:16]-[S:13](-[c:12]:1:[c:11]:[c:10]:[c:9](-[C:8]):[c:18]:[c:17]:1)(=[O:14])=[O:15]	2	40630,55448
+[O:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[C:6](-[C:7])(-[C:8])-[N:9]-1>>[N:3]#[C:4].[N:9].[O:1]=[C:2](-[O:10])-[O:11].[O:5]=[C:6](-[C:7])-[C:8]	2	40641,40644
+[N:1]-[C:2](-[c:3](:[c:4]):[n:5])=[O:6]>>[N:1].[C:2](-[c:3](:[c:4]):[n:5])(-[O:6])=[O:7]	2	40692,40783
+[c:1]:[c:2](-[S:3](-[N:4])(=[O:5])=[O:6]):[c:7]>>[N:4].[S:3](-[O:5])(=[O:6])(=[O:8])-[Cl:9].[c:1]:[c:2]:[c:7]	2	40697,40698
+[c:1]-[c:2]:1:[c:3]:[o:4]:[c:5]:[n:6]:1>>[N:6].[O:4]-[C:5]=[O:9].[c:1]-[C:2](-[C:3]-[Br:8])=[O:7]	2	40723,40724
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5]>>[N:5].[C:1]-[N:2]=[C:3]=[S:4]	2	40729,40891
+[S:1]=[C:2](-[N:3]-[C:4](=[O:5])-[c:6](:[c:7]):[n:8])-[N:9]>>[N:3].[S:1]-[C:2]#[N:9].[C:4](=[O:5])(-[c:6](:[c:7]):[n:8])-[O:10]	2	40730,40731
+[O:1]=[C:2]-1-[N:3]-[C:4]-[c:5]:[c:6]-1>>[N:3].[O:1]=[C:2](-[c:6]:[c:5]-[C:4]-[Br:9])-[O:8]-[C:7]	2	40743,40762
+[c:1]:[c:2](-[N:3]):[c:4]>>[N:3].[c:1]:[c:2](:[c:4])-[O:5]	2	40758,40798
+[c:1]:[c:2](:[n:3]:[c:4](-[N:5]):[c:6]):[c:7]>>[N:5].[c:1]:[c:2](:[n:3]:[c:4](:[c:6])-[Cl:8]):[c:7]	2	40760,40761
+[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[N:7]>>[N:1].[C:2](=[O:3])(-[C:4]-[C:5](=[O:6])-[N:7])-[O:9]-[C:8]	2	40807,40907
+[N:1]=[C:2](-[C:3])-[N:4]>>[N:4].[N:1]#[C:2]-[C:3]	2	40855,40942
+[C:1]-[C:4]-1=[C:3](-[C:2])-[C:9](-[N:8]-[C:6](-[N:5]-1)=[O:7])=[O:10]>>[N:5].[C:1]-[C:4]-1=[C:3](-[C:2])-[C:9](-[N:8]-[C:6](=[O:7])-[O:11]-1)=[O:10]	2	40860,40872
+[c:1]-[C:2](-[N:3])=[N:4]>>[N:4].[c:1]-[C:2]#[N:3]	2	40871,40875
+[N:1]-[C:2](-[C:3])-[c:4]>>[N:1]#[C:7]-[B:6].[C:2](-[C:3])(-[c:4])=[O:5]	2	41190,41191
+[c:1]:1:[n:2]:[n:3]:2:[c:4](-[N:5]):[n:6]:[n:7]:[c:8]:2:[c:9]:[c:10]:1>>[C:4](#[N:5])-[Br:11].[c:1]:1:[n:2]:[n:3]:[c:8](-[N:7]-[N:6]):[c:9]:[c:10]:1	2	41196,41207
+[N:1]-[C:2]-1=[N:3]-[C:4]-[C:5]-[O:6]-1>>[N:1]#[C:2]-[Br:7].[N:3]-[C:4]-[C:5]-[O:6]	2	41198,41204
+[N:1]=[C:2]-1-[N:3]-[C:4]-[C:5]-[O:6]-1>>[N:1]#[C:2]-[Br:7].[N:3]-[C:4]-[C:5]-[O:6]	2	41201,41203
+[N:1]#[C:2]-[c:3]:1:[c:4](-[N:5]):[n:6]:[n:7]:[c:8]:1-[N:9]>>[N:1]#[C:2]-[C:3](-[C:4]#[N:5])=[C:8](-[N:9])-[S:11]-[C:10].[N:6]-[N:7]	2	41230,41231
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](:[n:7]:[n+:8]:1-[O-:9])-[N:10]>>[C:6](-[N:7])#[N:10].[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N+:8](-[O-:9])=[O:11]	2	41317,41320
+[N:1]-[C:2](=[O:3])-[c:4]:[c:6]:[n:5]>>[N:1]#[C:2]-[c:4]:[c:6]:[n:5].[O:3]=[S:8](=[O:7])(-[O:9])-[O:10]	2	41353,45796
+[n:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[n:6]:[n:7]:1):[c:8]>>[N-:4]=[N+:6]=[N-:5].[n:1]:[c:2](-[C:3]#[N:7]):[c:8]	2	41359,47911
+[c:1]-[n:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[c:1]-[N:2]=[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[N+:8](=[O:9])-[O-:10]	2	41421,56026
+[N:1]-1-[c:2]:[c:3](-[C:4](=[O:5])-[C:8]-1=[O:7]):[c:6]>>[N:1](-[c:2]:[c:3]:[c:6])-[C:8](-[C:4]=[N:13]-[O:12])=[O:7].[O:5]-[S:9](=[O:10])(-[O:11])=[O:14]	2	41437,41447
+[c:1]:[c:2](:[n:3]:[c:4](-[c:5](:[c:6]):[c:8]:[n:7]):[c:9]):[c:10]>>[c:1]:[c:2](:[n:3]:[c:4](:[c:9])-[Cl:11]):[c:10].[c:5](:[c:6])(:[c:8]:[n:7])-[B:13](-[O:12])-[O:14]	2	41485,44293
+[O:1]-[N:2](-[C:3])-[C:4](=[O:5])-[c:6](:[c:7]):[s:8]>>[O:1]-[N:2]-[C:3].[C:4](=[O:5])(-[c:6](:[c:7]):[s:8])-[O:9]	2	41501,41548
+[N:1]-1-[C:2](=[O:3])-[C:4](-[Cl:5])=[C:6](-[O:7])-[C:8]=[C:9]-1>>[N:1]-1-[C:2](=[O:3])-[C:4]=[C:6](-[O:7])-[C:8]=[C:9]-1.[Cl:5]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15]	2	41573,44327
+[c:1]:[c:2]:1:[s:3]:[c:4](-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]):[c:10]:[c:11]:1:[n:12]>>[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Br:13].[c:1]:[c:2]:1:[s:3]:[c:4]:[c:10]:[c:11]:1:[n:12]	2	41609,50279
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[c:5]:[n:6]:3:[c:7](-[S:8]-[c:9](:[c:10]):[c:11]):[n:12]:[n:13]:[c:14]:3:[c:15](-[F:16]):[c:17]:2):[c:18]:[n:19]:1>>[n:1]:1:[c:2]:[c:3](-[C:4]-2=[C:5]-[N:6]-3-[C:7](=[S:8])-[N:12]-[N:13]=[C:14]-3-[C:15](-[F:16])=[C:17]-2):[c:18]:[n:19]:1.[c:9](:[c:10])(:[c:11])-[Br:20]	2	41654,41655
+[N:1](-[C:2]-[c:3])-[C:4]=[O:5]>>[N:1](-[C:2](-[c:3])-[O:6])-[C:4]=[O:5]	2	41672,56025
+[O:1]-[C:2]=[C:3]-1-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]-1>>[C:3]-1-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]-1.[O:1]-[C:2](-[O:12]-[C:11]-[C:10])-[O:13]-[C:14](-[C:15])=[O:16]	2	41693,43417
+[N:1]-1-[N:2]=[C:3]-[C:4](-[C:5](=[O:6])-[c:7])-[C:8]-1=[O:9]>>[N:1]-1-[N:2]=[C:3]-[C:4]-[C:8]-1=[O:9].[C:5](=[O:6])(-[c:7])-[Cl:10]	2	41710,41712
+[c:1]:1:[c:2]:[s:3]:[c:4](-[N:5]-[C:6]):[n:7]:1>>[N:5]-[C:6].[c:1]:1:[c:2]:[s:3]:[c:4](:[n:7]:1)-[Cl:8]	2	41797,46102
+[C:1]-[N:2]-[C:3]-[C:4]-[C:5](=[O:6])-[N:7]>>[C:1]-[N:2].[C:3](-[C:4]-[C:5](=[O:6])-[N:7])-[Cl:8]	2	41956,50244
+[c:1]:1(:[n:2]:[c:3](-[c:4]:[c:5]:[n:6]):[n:7]:[c:8](:[c:9]):[c:11]:1:[c:10])-[O:12]>>[C:1](-[N:2])(-[c:11](:[c:8](-[N:7]-[C:3](-[c:4]:[c:5]:[n:6])=[O:13]):[c:9]):[c:10])=[O:12]	2	41979,50370
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[s:7]:1>>[N:1]-[C:2](-[N:3]-[N:4]-[C:5](-[c:6])=[O:8])=[S:7]	2	41985,41986
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](:[n:6]:[c:7]:1-[O:8])-[N:10]-[N+:9]>>[N:4]-[C:5](-[N:6])=[N:10]-[N+:9].[C:1]-[C:2](-[C:3]=[O:14])-[C:7](=[O:8])-[O:13]-[C:12]-[C:11]	2	42027,42028
+[c:1]-[C:2]-1-[N:3]-[C:4](=[O:5])-[N:6]-[C:7](-[c:8])=[C:9]-1-[c:10]>>[N:3]-[C:4](=[O:5])-[N:6].[c:1]-[C:2]=[O:12].[C:7](-[c:8])(-[C:9]-[c:10])=[O:11]	2	42036,42037
+[O:1]=[C:2]-1-[N:3]-[c:4]:[c:5]-[N:6]-1-[C:7]>>[O:1]=[C:2](-[N:8])-[N:9].[N:3]-[c:4]:[c:5]-[N:6]-[C:7]	2	42039,42040
+[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[c:6]):[n:7]:[n:8]:1>>[N:7]-[N:8].[O:1]=[C:2](-[C:3]=[O:10])-[O:11].[C:4]-[C:5](-[c:6])=[O:9]	2	42164,42166
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6]):[c:8]:1:[c:7]>>[N:3]-[N:4].[C:1]-[C:2](-[c:8](:[c:5](:[c:6])-[F:10]):[c:7])=[O:9]	2	42220,42221
+[N:1]-1-[C:2]=[C:3]-[c:4]:2:[c:5](-[C:6]-1=[O:7]):[c:8](-[N:9]):[n:10]:[n:11]:2>>[N:10]-[N:11].[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5](-[C:6]-1=[O:7])-[C:8]#[N:9])-[Cl:12]	2	42232,42240
+[c:1]:1:[n:2]:[n:3]:[c:4](-[N:5]-[N:6]):[n:7]:[c:8]:1>>[N:5]-[N:6].[c:1]:1:[n:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[Cl:9]	2	42248,42316
+[O:1]=[C:2](-[c:3]:1:[c:4]:[c:5](-[c:6]):[n:7]:[n:8]:1)-[O:9]>>[N:7]-[N:8].[O:1]=[C:2](-[C:3](-[C:4]-[C:5](-[c:6])=[O:11])=[O:10])-[O:9]	2	42278,42288
+[C:1]-[c:2]:1:[n:3]:[n:4](-[C:5]):[c:6](-[N:7]):[c:8]:1-[c:9]>>[N:3]-[N:4]-[C:5].[C:1]-[C:2](-[C:8](-[C:6]#[N:7])-[c:9])=[O:10]	2	42327,42328
+[O:1]=[C:2]-1-[C:3]-[C:4](-[c:5])=[N:6]-[N:7]-1-[C:8]>>[N:6]-[N:7]-[C:8].[O:1]=[C:2](-[C:3]-[C:4](-[c:5])=[O:12])-[O:11]-[C:10]-[C:9]	2	42329,42334
+[O:1]=[C:2](-[C:3])-[N:4]-[N:5]=[C:6](-[C:7](=[O:8])-[N:9])-[c:10]>>[O:1]=[C:2](-[C:3])-[N:4]-[N:5].[C:6](-[C:7](=[O:8])-[N:9])(-[c:10])=[O:11]	2	42343,51668
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[n:6]:[c:7]:[c:8]:1-[O:9]>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[C:8](-[C:7])=[O:9].[N:6](=[O:10])-[O:11]	2	42385,42386
+[c:1]-[C:2](=[O:3])-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1>>[c:1]-[C:2](=[O:3])-[O:16].[n:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:1)-[C:10](=[O:9])-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	2	42419,53625
+[c:1](:[n:2]):[c:3]-[c:4]:1:[n:5]:[c:6](:[c:7](:[c:8]):[n:10]:1):[c:9]>>[N:5]-[c:6](:[c:7](:[c:8])-[N:10]):[c:9].[c:1](:[n:2]):[c:3]-[C:4](=[O:11])-[O:12]	2	42451,48548
+[n:1]:[c:2]:[c:3](:[c:4]:[n:5])-[N:6]-[C:7](-[c:8])=[O:9]>>[n:1]:[c:2]:[c:3](:[c:4]:[n:5])-[N:6].[C:7](-[c:8])(=[O:9])-[O:10]	2	42461,48848
+[c:1]-[C:2]>>[c:1]-[C:2]-[C:4](=[O:3])-[O:5]	2	42463,50597
+[n:1]:1:[c:2]:2:[c:3](:[c:4]:[c:5]:[n:6]:[c:7]:2):[c:8]:3:[c:9]:1:[n:10]:[c:11]:[c:12]:[c:13]:3>>[N:1]-[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:[c:7]:1)-[c:8]:2:[c:9](:[n:10]:[c:11]:[c:12]:[c:13]:2)-[F:14]	2	42470,57228
+[c:1]-[N:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:7](-[c:8](:[c:9]):[c:10]):[n:11]:1>>[c:1]-[N:2].[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:7](:[n:11]:1)-[Cl:12])-[c:8](:[c:9]):[c:10]	2	42495,42595
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:[c:7]:1:[c:8]>>[c:1]:[c:2](-[N:3]):[c:7]:[c:8].[c:4]:1:[c:5]:[c:6]:[c:14](:[c:13]:[c:12]:1-[N+:10](=[O:9])-[O-:11])-[S:15](=[O:16])(=[O:17])-[O:18]	2	42513,46153
+[N:1]-1-[C:2](=[O:3])-[c:4]:2:[c:5](-[c:6]):[n:7](-[c:8]):[c:9]:[c:10]:2-[N:11]-[C:12]-1=[O:13]>>[N:7]-[c:8].[N:1]-1-[C:2](=[O:3])-[C:4](-[C:5](-[c:6])=[O:14])=[C:10](-[C:9]-[Br:15])-[N:11]-[C:12]-1=[O:13]	2	42518,55710
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[N:4]-[c:5].[c:1]-[C:2](-[O:3])=[O:6]	2	42559,44307
+[C:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:6].[C:1]-[C:2]-[B:8](-[O:7])-[O:9]	2	42569,46390
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[c:6]:[c:7]:[s:8]>>[c:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[c:6]:[c:7]:[s:8])-[Cl:9]	2	42585,45959
+[c:1]:[c:2]:1:[c:3](-[O:4]):[n:5]:[c:6]:[n:7]:[c:8]:1:[c:9]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:11]-[C:10]):[c:8](-[N:7]):[c:9].[N:5]-[C:6]=[O:12]	2	42600,44607
+[c:1](:[n:2]):[c:4](:[c:3])-[O:5]>>[c:1](:[n:2]):[c:4](:[c:3])-[N:6].[O:5]	2	42638,42887
+[C:1](-[C:2])(-[N:3]-[c:4]:[c:5]:[s:6])=[O:7]>>[N:3]-[c:4]:[c:5]:[s:6].[C:1](-[C:2])(=[O:7])-[O:8]	2	42749,48698
+[c:1]:[c:2](-[N:3]-[c:4](:[c:5]):[n:8]:[c:7]:[c:6]):[n:9]>>[c:1]:[c:2](-[N:3]):[n:9].[c:4](:[c:5])(:[n:8]:[c:7]:[c:6])-[F:10]	2	42761,42766
+[C:1]=[N:2]-[O:3]-[C:4]-[c:5](:[c:6]:[s:7]):[n:8]>>[C:4](-[c:5](:[c:6]:[s:7]):[n:8])-[Cl:9].[C:1]=[N:2]-[O:3]	2	42782,42783
+[c:1](:[c:2]-[S:3](=[O:4])(=[O:5])-[N:6]-[c:7](:[c:8]):[o:9]):[s:10]>>[N:6]-[c:7](:[c:8]):[o:9].[c:1](:[c:2]-[S:3](=[O:4])(=[O:5])-[Cl:11]):[s:10]	2	42851,42852
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:6]>>[O:5].[O:6].[n:1]:[c:2]:[c:3]-[C:4]#[N:7]	2	42870,42875
+[C:1](-[C:2](-[O:3])-[C:4])-[O:5]>>[O:3]=[Os:7](=[O:6])(=[O:8])=[O:9].[O:5].[C:1]=[C:2]-[C:4]	2	42912,42913
+[c:1](:[c:3]:[n:2])-[C:5](=[O:4])-[O:6]>>[O:4].[O:6]-[C:10]-[C:9]-[O:8].[c:1](:[c:3]:[n:2])-[C:5]#[N:7]	2	42916,42917
+[c:1]-[C:2](=[O:3])-[O:4]>>[O:3].[O:4]-[C:8]-[C:7]-[O:6].[c:1]-[C:2]#[N:5]	2	42918,42920
+[c:1]-[S:2](=[O:3])-[C:4]>>[O:3].[c:1]-[S:2]-[C:4]	2	42937,43003
+[c:1]-[C:2]-[C:3]-[O:4]>>[O:4].[c:1]-[C:2]=[C:3]	2	42947,42984
+[O:1]-[c:2](:[c:3]):[c:4]>>[O:1].[c:2](:[c:3])(:[c:4])-[I:5]	2	42951,42952
+[C:1]-[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]-[C:2](-[C:3](=[O:4])-[O:5])-[C:9](-[O:8]-[C:7]-[C:6])=[O:10]	2	43020,43347
+[c:1]-[O:6]-[C:4](-[O:3]-[C:2])-[C:5]>>[C:4](-[C:5])(-[O:8]-[C:7])-[O:9]-[C:10].[c:1]-[O:6].[C:2]-[O:3]	2	43131,43132
+[n:1]:1:[c:2]:[c:3]:[c:4]:2-[C:5]-3-[C:6](=[O:7])-[N:8]-[C:9](=[O:10])-[C:11]-3-[C:12](-[c:13])-[C:14]-[c:15]:1:2>>[C:5]=1-[C:6](=[O:7])-[N:8]-[C:9](=[O:10])-[C:11]=1.[n:1]:1:[c:2]:[c:3]:[c:4]:[c:15]:1-[C:14]=[C:12]-[c:13]	2	43234,44318
+[c:1](:[c:2]-[C:3](=[O:4])-[O:5])-[N:6]>>[O:5]-[C:8](-[C:7])=[O:9].[c:1]-1:[c:2]-[C:3](=[O:4])-[C:11](-[N:6]-1)=[O:10]	2	43298,44145
+[c:1]:1:[n:2]:[c:3](-[c:4]:2:[c:5]:[n:6]:[c:7](:[c:8]):[n:11]:2:[c:10]:[c:9]):[n:12]:[c:13]:[c:14]:1>>[c:1]:1:[n:2]:[c:3](:[n:12]:[c:13]:[c:14]:1)-[Cl:15].[c:4]:1:[c:5]:[n:6]:[c:7](:[c:8]):[n:11]:1:[c:10]:[c:9]	2	43302,43303
+[O:1]=[C:2](-[O:3])-[C:4]-[C:5]-[c:6]:[c:7]:[n:8]>>[O:1]=[C:2](-[O:3])-[C:4]=[C:5]-[c:6]:[c:7]:[n:8]	2	43381,43389
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[o:8]:1):[c:7]>>[C:1]-[C:2](-[O:11]-[C:10]-[C:9])(-[O:12]-[C:13]-[C:14])-[O:15]-[C:16]-[C:17].[N:3]-[c:4](:[c:5](:[c:6])-[O:8]):[c:7]	2	43395,43400
+[C:1](-[C:4]-[C:2](=[O:3])-[O:5])=[O:6]>>[C:2](=[O:3])(-[O:5])-[O:9]-[C:8]-[C:7].[C:1](-[C:4])=[O:6]	2	43404,43409
+[c:1]-[C:2](-[C:3](=[O:4])-[O:5])-[C:6]#[N:7]>>[C:3](=[O:4])(-[O:5])-[O:8]-[C:10]-[C:9].[c:1]-[C:2]-[C:6]#[N:7]	2	43405,43410
+[O:1]=[C:2](-[C:3](-[C:4](-[C:5])=[O:8])-[c:6])-[O:7]>>[O:1]=[C:2](-[O:7])-[O:11]-[C:10]-[C:9].[C:3](-[C:4](-[C:5])=[O:8])-[c:6]	2	43406,43408
+[C:1]-[C:2](=[O:3])-[S:4]-[C:5]-[C:6]>>[C:5](-[C:6])-[Cl:7].[C:1]-[C:2](-[O:3])=[S:4]	2	43501,46821
+[c:1](-[C:2]-[N:3]-[c:4](:[n:5]):[c:6]):[c:7]:[n:8]>>[c:1](-[C:2]=[O:9]):[c:7]:[n:8].[N:3]-[c:4](:[n:5]):[c:6]	2	43538,43555
+[O:1]=[S:2](=[O:3])(-[N:4]-[c:5](:[n:6]):[c:7])-[c:8]:[c:10]:[n:9]>>[N:4]-[c:5](:[n:6]):[c:7].[O:1]=[S:2](=[O:3])(-[c:8]:[c:10]:[n:9])-[Cl:11]	2	43565,43566
+[O:1]=[C:2]-1-[C:3](-[O:4])=[C:5]-[C:6]=[C:7]-[N:8]-1-[C:9]-[c:10]>>[O:1]-[c:2]:1:[c:3](-[O:4]):[c:5]:[c:6]:[c:7]:[n:8]:1.[C:9](-[c:10])-[Br:11]	2	43603,43605
+[c:1]:[c:2]:1:[n:3]:[n:4](-[C:5](-[C:6]-[C:7])-[O:8]):[c:9]:[c:10]:1>>[C:5](=[C:6]-[C:7])-[O:8].[c:1]:[c:2]:1:[n:3]:[n:4]:[c:9]:[c:10]:1	2	43739,43753
+[c:1]-[C:2](=[O:3])-[c:4]>>[c:1]-[C:2]-1(-[O:3]-[C:7]-[C:6]-[O:5]-1)-[c:4]	2	43796,52282
+[O:1]=[C:2](-[C:3]-1=[N:4]-[N:5](-[c:6])-[C:7](-[c:8])-[C:9]-1)-[O:10]>>[O:1]=[C:2](-[C:3](-[C:9]=[C:7]-[c:8])=[O:11])-[O:10].[N:4]-[N:5]-[c:6]	2	43910,50935
+[c:1]-[n:2]:1:[c:3](-[c:4]):[n:5]:[c:6](-[C:7](=[O:8])-[O:11]):[c:9]:1-[C:10]>>[C:6](-[C:7](=[O:8])-[O:11])(-[C:9](-[C:10])-[Br:13])=[O:12].[c:1]-[N:2]=[C:3](-[c:4])-[N:5]	2	43917,43918
+[C:1](-[C:2](-[N:3]-[C:4])=[O:8])-[C:5](-[C:6])=[O:7]>>[C:1](-[C:2](=[O:8])-[O:9])-[C:5](-[C:6])=[O:7].[N:3]-[C:4]	2	43919,48522
+[N:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[O:6])-[C:7](=[O:8])-[N:9]-[C:10]-1>>[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[C:29](-[O:28]-[C:27])=[O:30].[C:7]-1(=[O:8])-[N:9]-[C:10]-[C:24](-[C:22](-[N:12](-[C:11])-[C:13]-[c:14]:2:[c:15]:[c:16]:[c:17](-[Cl:18]):[c:19](-[Cl:20]):[c:21]:2)=[O:23])=[C:25]-1-[O:26]	2	43925,46888
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[n:6](-[c:7](:[c:8]):[n:9]):[c:10](-[c:11](:[n:12]):[c:13]):[c:14]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:14]-[C:10](-[c:11](:[n:12]):[c:13])=[O:16])=[O:15].[N:5]-[N:6]-[c:7](:[c:8]):[n:9]	2	43928,44266
+[C:1](-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2:[n:10]:1)(=[O:11])-[O:12]>>[C:1](-[C:2](=[C:3]-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1-[N+:10](=[O:13])-[O-:14])-[O:15])(=[O:11])-[O:12]	2	43934,56307
+[C:1](-[N:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])-[C:8](=[O:9])-[O:10]>>[C:1](-[N:2])-[C:8](=[O:9])-[O:10].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:11]	2	43935,44067
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[N:3]-[C:4](-[C:5])=[N:6]-[O:7].[C:1]-[C:2](=[O:8])-[Cl:9]	2	43942,44018
+[C:1](=[O:2])(-[C:3]-[O:4]-[C:6](-[C:5])=[O:7])-[O:8]>>[C:5]-[C:6](=[O:7])-[Cl:9].[C:1](=[O:2])(-[C:3]-[O:4])-[O:8]	2	43949,44005
+[C:1]-[C:2](-[c:3](:[c:4]):[c:7]:[c:6]:[n:5])=[O:8]>>[C:1]-[C:2](=[O:8])-[Cl:9].[c:3](:[c:4]):[c:7]:[c:6]:[n:5]	2	43966,44022
+[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[N:6]-[c:7]>>[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[O:8].[N:6]-[c:7]	2	44168,46270
+[C:1]-[O:2]-[N:3]=[C:4]>>[C:1]-[O:10]-[S:7](-[O:6]-[C:5])(=[O:8])=[O:9].[O:2]-[N:3]=[C:4]	2	44215,45827
+[c:1]:1:[n:2]:[n:3]:[c:4]:2:[c:5]:1:[c:6](-[O:7]):[c:8](:[c:9]:[n:10]:2)-[C:12](=[O:11])-[O:13]>>[c:1]:1:[n:2]:[n:3]:[c:4](:[c:5]:1)-[N:10]-[C:9]=[C:8](-[C:6](=[O:7])-[O:16]-[C:15]-[C:14])-[C:12](=[O:11])-[O:13]	2	44235,44237
+[C:1](-[C:2](=[O:3])-[O:4])-[C:5]=[O:6]>>[C:1](-[C:2](=[O:3])-[O:4])(-[C:5]=[O:6])-[C:10](-[O:9]-[C:8]-[C:7])=[O:11]	2	44239,44240
+[C:1](=[O:2])-[C:3]-[C:4](-[N:5]-[C:6](-[C:7])=[O:8])(-[C:9](=[O:10])-[O:11])-[C:12](=[O:13])-[O:14]>>[C:4](-[N:5]-[C:6](-[C:7])=[O:8])(-[C:9](=[O:10])-[O:11])-[C:12](=[O:13])-[O:14].[C:1](=[O:2])-[C:3]-[Cl:15]	2	44242,44243
+[C:1]-[c:2](:[c:3]):[n:4]>>[C:1](-[c:2](:[c:3]):[n:4])(-[C:8](-[O:7]-[C:6]-[C:5])=[O:9])-[C:10](=[O:11])-[O:12]-[C:13]-[C:14]	2	44244,44246
+[C:1](=[O:2])(-[c:3]:1:[n:4]:[n:5](-[c:6]):[c:7](-[C:8]):[c:9]:1)-[O:10]>>[C:1](=[O:2])(-[C:3](-[C:9]-[C:7](-[C:8])=[O:12])=[O:11])-[O:10].[N:4]-[N:5]-[c:6]	2	44262,44263
+[C:1](-[C:2])(-[C:3]=[O:4])-[Cl:5]>>[Cl:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[C:1](-[C:2])-[C:3]=[O:4]	2	44357,44376
+[n:1]:[c:2]:[c:3]:1:[c:4](-[I:5]):[n:6]:[n:7]:[c:8]:1:[n:9]>>[I:5]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[n:1]:[c:2]:[c:3]:1:[c:4]:[n:6]:[n:7]:[c:8]:1:[n:9]	2	44395,44409
+[n:1]:[n:2]:1:[c:3](:[c:4]:[n:5]:[c:6]:1)-[I:7]>>[I:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[n:1]:[n:2]:1:[c:3]:[c:4]:[n:5]:[c:6]:1	2	44396,44436
+[c:1]-[C:2](=[O:3])-[O:4]-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11]>>[c:1]-[C:2](=[O:3])-[O:19].[O:4](-[N:5]-1-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1=[O:11])-[C:15](-[N:13](-[C:12])-[C:14])=[N+:16](-[C:17])-[C:18]	2	44448,44449
+[n:1]:1:[c:2](:[c:3]):[c:5](:[c:4]):[c:6](:[c:7]:1-[C:8])-[C:10](-[C:9])=[O:11]>>[C:6](-[C:7](-[C:8])=[O:13])-[C:10](-[C:9])=[O:11].[N:1](-[c:2](:[c:3]):[c:5]:[c:4])-[N:12]	2	44455,44456
+[c:1](-[C:2]=[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9]):[c:10]:[n:11]>>[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7]-[C:8]-1=[O:9].[c:1](-[C:2]=[O:12]):[c:10]:[n:11]	2	44485,44498
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6])-[C:7](-[C:8](=[O:9])-[O:10])-[C:12](-[O:11])=[O:13]):[c:14]:1>>[C:7](-[C:8](=[O:9])-[O:10])-[C:12](-[O:11])=[O:13].[C:5](-[c:6])=[O:15].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:14]:1	2	44505,44506
+[O:1]=[C:2](-[O:3])-[C:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[O:1]=[C:2]-1-[O:3]-[C:10](-[C:9])(-[C:11])-[O:12]-[C:5](-[C:4]-1)=[O:6].[N:7]-[c:8]	2	44507,44508
+[c:1]-[C:2]-[C:3]-[N:4](-[C:6]=[O:5])-[C:7]=[O:8]>>[c:1]-[C:2]=[C:3]-[N:4](-[C:6]=[O:5])-[C:7]=[O:8]	2	44545,54302
+[n:1]:[c:2](-[N:3]-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8](:[c:9]:1:[s:10]):[n:11]):[c:12]>>[n:1]:[c:2](-[N:3]):[c:12].[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8](:[c:9]:1:[s:10]):[n:11])-[Br:13]	2	44553,46995
+[C:1]-[N:2]=[C:3](-[c:4])-[c:5]>>[C:1]-[N:2]-1-[C:7](=[O:6])-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2-[C:14]-1=[O:15].[C:3](-[c:4])(-[c:5])=[O:16]	2	44554,51367
+[c:1]:[c:2](-[C:3](-[N:4]-[c:5])-[C:6](=[O:7])-[O:8]):[c:9]>>[C:3](-[C:6](=[O:7])-[O:8])=[O:10].[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13].[N:4]-[c:5]	2	44577,44578
+[C:1]-[C:2]=[C:3]-[C:4](=[C:5]-[C:6])-[Se:7]>>[C:3](-[C:4](=[C:5]-[C:6])-[Se:7])=[O:8].[C:1]-[C:2]-[P+:13](-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:27]:[c:26]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	2	44580,53052
+[c:1]:[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6](:[c:7]:1:[c:8])-[O:9]>>[C:4](-[N:5])=[O:11].[c:1]:[c:2](-[N:3]):[c:7](-[C:6](=[O:9])-[N:10]):[c:8]	2	44604,44608
+[C:1]=[C:2]-[c:3]>>[C:2](-[c:3])=[O:20].[C:1]-[P+:5](-[c:4]:1:[c:18]:[c:19]:[c:21]:[c:22]:[c:23]:1)(-[c:6]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2)-[c:12]:3:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:3	2	44623,52795
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[c:5](:[c:6](:[s:7]:1):[c:8]):[c:9])-[O:10]>>[C:4](-[c:5](:[c:6](:[c:8])-[Cl:12]):[c:9])=[O:11].[C:1](=[O:2])(-[C:3]-[S:7])-[O:10]	2	44650,47494
+[C:1]-[C:2](-[O:3])-[c:4]>>[C:1]-[Mg+:5].[C:2](=[O:3])-[c:4]	2	44659,47555
+[N:1]#[C:2]-[c:3]>>[C:2](-[c:3])=[O:4].[N:1]-[O:9]-[S:6](=[O:5])(=[O:7])-[O:8]	2	44665,44726
+[N:1]#[C:2]-[c:3]:[c:4]:[n:5]>>[C:2](-[c:3]:[c:4]:[n:5])=[O:6].[N:1]-[O:7]	2	44690,47037
+[c:1]:1:[c:2](-[C:3](-[c:4])-[O:8]):[s:5]:[c:6]:[c:7]:1>>[C:3](-[c:4])=[O:8].[c:1]:1:[c:2]:[s:5]:[c:6]:[c:7]:1	2	44744,44764
+[n:1]:[c:3](:[c:2])-[c:4]:1:[c:5]:[n:6]:[c:7]:[o:8]:1>>[n:1]:[c:3](:[c:2])-[C:4]=[O:8].[C:5](-[N+:6]#[C-:7])-[S:14](-[c:13]:1:[c:12]:[c:11]:[c:10](-[C:9]):[c:18]:[c:17]:1)(=[O:15])=[O:16]	2	44758,48126
+[n:1]:[c:2]:[c:3]-[C:4]-1-[O:5]-[C:7]-[C:6]-[O:8]-1>>[n:1]:[c:2]:[c:3]-[C:4]=[O:5].[C:6](-[C:7]-[O:9])-[O:8]	2	44788,44797
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5]=[N:6]-[O:8]):[c:7]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5]=[O:9]):[c:7]:1.[N:6]-[O:8]	2	44827,47082
+[S:1]-[N:2]>>[S:1]-[N:2]-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5](-[O:4]-[C:3]):[c:13]:[c:10]:1-[O:11]-[C:12]	2	44840,52053
+[C:1]-[C:2](-[C:5]-[C:3](-[N:4])=[S:7])=[O:6]>>[C:1]-[C:2](-[C:5]-[C:3](-[N:4])=[O:20])=[O:6].[S:7]=[P:8]-1(-[c:9]:2:[c:10]:[c:11]:[c:12](-[O:13]-[C:14]):[c:15]:[c:16]:2)-[S:17]-[P:27](-[c:26]:3:[c:18]:[c:19]:[c:23](-[O:22]-[C:21]):[c:24]:[c:25]:3)(=[S:28])-[S:29]-1	2	44861,53013
+[N:1](-[c:2])-[S:3]>>[N:1](-[c:2])(-[S:3])-[S:5](-[C:4])(=[O:6])=[O:7]	2	45148,45149
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5](-[C:6]=[N:7])=[C:8](-[O:9])-[C:10]-[C:11]-1>>[C:3](=[O:4])(-[C:5]-[C:6]=[N:7])-[O:14].[C:1]-[N:2]-[C:11]-[C:10]-[C:8](-[O:9]-[C:12])=[O:13]	2	45184,45185
+[C:1]-[C:2](-[S:3]-[C:4](-[C:5])=[O:6])-[C:7]>>[C:1]-[C:2](-[C:7])-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11].[S:3]-[C:4](-[C:5])=[O:6]	2	45193,47485
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[s:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[B:11](-[O:10])-[O:12].[c:3]:1(:[n:4]:[n:5]:[c:6]:[s:7]:1)-[Br:9]	2	45269,46524
+[C:1]=[C:2]-[C:3](-[N:4]-[S:5](=[O:6])(=[O:7])-[C:8])=[C:9](-[O:10])-[N:11]>>[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:12].[C:1]=[C:2]-[C:3](-[N:4])=[C:9](-[O:10])-[N:11]	2	45326,50641
+[c:1]:[c:2](-[N:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[C:13](=[O:12])-[O:14].[N:3](=[N+:16]=[N-:15])-[P:17](-[O:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(=[O:18])-[O:19]-[c:20]:2:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:2	2	45360,45680
+[c:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-[S:6]-1(=[O:7])=[O:8]>>[C:3](-[C:4]-[C:5]-[S:6](=[O:7])(=[O:8])-[Cl:10])-[Cl:9].[c:1]-[N:2]	2	45370,45371
+[S:1]-[C:2]-1-[C:3]-[C:4]-1>>[S:1]-[C:2]-[C:4]-[C:3]-[Cl:5]	2	45373,46068
+[C:1]=[C:2]-[S:3](=[O:4])(=[O:5])-[N:6]-[C:7]>>[C:1](-[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:9])-[Cl:8].[N:6]-[C:7]	2	45382,45384
+[c:1]:1:[c:2]:[c:3]:[c:4](-[S:5](=[O:6])(=[O:7])-[Cl:9]):[s:8]:1>>[S:5](=[O:6])(=[O:7])(-[Cl:9])-[Cl:10].[c:1]:1:[c:2]:[c:3]:[c:4]:[s:8]:1	2	45435,45443
+[C:1]-[N:2](-[c:3](:[n:4]):[s:5])-[S:6](=[O:7])(=[O:8])-[c:9]>>[S:6](=[O:7])(=[O:8])(-[c:9])-[Cl:10].[C:1]-[N:2]-[c:3](:[n:4]):[s:5]	2	45461,45463
+[c:1]:1:[n:2]:[n:3](-[S:4](=[O:5])(=[O:6])-[N:7]):[c:8]:[c:9]:1>>[S:4](=[O:5])(=[O:6])(-[N:7])-[Cl:10].[c:1]:1:[n:2]:[n:3]:[c:8]:[c:9]:1	2	45525,45526
+[S:1]-[N:2]-[c:3](:[c:4]):[o:5]>>[S:1]-[N:2](-[c:3](:[c:4]):[o:5])-[C:11]-[O:10]-[C:9]-[C:8]-[O:7]-[C:6]	2	45541,45558
+[c:1]-[C:2](-[N:3])=[N:4]-[S:5]>>[c:1]-[C:2]#[N:3].[N:4]-[S:5]	2	45567,45568
+[c:1]-[N:2]-[C:3]>>[c:1]-[N:2](-[C:3])-[S:13](-[c:12]:1:[c:7](-[N+:5](=[O:4])-[O-:6]):[c:8]:[c:9]:[c:10]:[c:11]:1)(=[O:14])=[O:15]	2	45617,52857
+[S:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[S:1]-[N:2]-[C:6].[c:3](:[c:4])(:[c:5])-[F:7]	2	45634,45636
+[N:1]-[C:6](=[C:4](-[C:2]=[O:3])-[O:5])-[C:7]>>[N:1]-[C:6](=[C:4](-[C:2]=[O:3])-[O:5]-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1)-[C:7]	2	45656,56577
+[O:1]=[S:2](=[O:3])(-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9]>>[O:1]=[S:2](=[O:3])(-[Cl:9])-[O:10].[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1	2	45733,45772
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1>>[O:3]-[S:10](=[O:9])(=[O:11])-[O:12].[N:1]#[C:2]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1	2	45804,45814
+[c:1]:1:[c:2]:[n:3]:[c:4](-[O:5]-[c:6]):[s:7]:1>>[O:5]-[c:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[s:7]:1)-[Br:8]	2	45824,48244
+[C:1]-[n:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1>>[C:1]-[O:10]-[S:7](=[O:8])(=[O:9])-[O:12]-[C:11].[n:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	2	45851,45852
+[C:1]-[C:2]-[O:3]-[c:4]>>[C:1]-[C:2]-[O:11]-[S:8](-[O:7]-[C:6]-[C:5])(=[O:9])=[O:10].[O:3]-[c:4]	2	45860,45861
+[c:1]-[O:2]>>[c:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:12]:1:[c:6]:[c:7]:[c:9](-[C:8]):[c:10]:[c:11]:1	2	45882,53993
+[C:1]-[C:2](-[C:3]-[c:4])=[O:5]>>[C:1]-[C:2](=[C:3]-[c:4])-[N+:7](=[O:5])-[O-:6]	2	45916,54082
+[s:1]:[c:2](-[C:3]#[N:4]):[c:5]>>[s:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]	2	45993,52671
+[N:1]#[C:2]-[C:3](-[C:4]-[C:5])-[c:6]>>[N:1]#[C:2]-[C:3](=[C:4]-[C:5])-[c:6]	2	46036,50714
+[N:1]-[C:2](-[N:3])=[N:4]-[C:5]>>[N:4]-[C:5].[N:1]-[C:2](=[N:3])-[n:9]:1:[n:8]:[c:7]:[c:6]:[c:10]:1	2	46038,54904
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[B:3](-[O:4])(-[O:5])-[c:26]:1:[c:25]:[c:24]:[c:23](-[C:22]-[C:21]-[C:20]-[C:18](-[N:17]-[c:16]:2:[c:15]:[c:14]:[c:13](-[S:10](-[C:9]-[C:8])(=[O:11])=[O:12]):[c:30](:[c:29]:2)-[C:31]#[N:32])=[O:19]):[c:28]:[c:27]:1.[c:1]:[c:2](:[c:6])-[Br:7]	2	46060,46061
+[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:1):[n:7]>>[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:1-[S:13](-[c:12]:2:[c:11]:[c:10]:[c:9](-[C:8]):[c:17]:[c:16]:2)(=[O:14])=[O:15]):[n:7]	2	46103,56293
+[O:1]=[C:2](-[O:3])-[C:4](-[O:5])=[C:7](-[C:6])-[O:8]>>[O:1]=[C:2]-[C:4](-[O:5])=[C:7](-[C:6])-[O:8].[O:3]-[C:25](-[C:24]-1=[C:15](-[C:13](-[C:12]=[C:11](-[C:10](-[N:9])-[S:28](=[O:29])(=[O:30])-[c:31]:2:[c:32]:[c:33]:[c:34]:[c:35]:[c:36]:2)-[O:27]-1)=[O:14])-[O:16]-[C:17]-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3)=[O:26]	2	46203,56569
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6](:[n:7]):[c:8]:1):[c:9]>>[c:3]:1(:[c:4]:[n:5]:[c:6](:[n:7]):[c:8]:1)-[Br:10].[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13]	2	46255,46256
+[N:1]-[C:2](-[C:3])(-[C:4])-[C:5]>>[N-:1]=[N+:10]=[N-:9].[C:2](-[C:3])(-[C:4])(-[C:5])-[C:7](=[O:6])-[O:8]	2	46275,47986
+[c:1]:1:[c:2]:[s:3]:[c:4]:[c:5]:1>>[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1)-[C:7](=[O:6])-[O:8]	2	46283,46885
+[c:1]:[c:2](-[N:3](-[c:4])-[S:5]):[c:6]>>[N:3](-[c:4])-[S:5].[c:1]:[c:2](:[c:6])-[B:8](-[O:7])-[O:9]	2	46295,54508
+[c:1]:[c:2](-[C:3]=[O:4]):[o:5]>>[O:4]=[Os:9](=[O:8])(=[O:10])=[O:11].[c:1]:[c:2](-[C:3]=[C:12]-[c:13]:1:[c:7]:[c:6]:[c:16]:[c:15]:[c:14]:1):[o:5]	2	46331,46332
+[n:1]:[c:8](:[c:2]):[c:4](:[c:3])-[C:5]-1-[C:6]-[C:7]-1>>[n:1]:[c:8](:[c:2]):[c:4](:[c:3])-[Br:9].[C:5]-1(-[C:6]-[C:7]-1)-[B:11](-[O:10])-[O:12]	2	46359,46361
+[n:1]:[n:2](:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]):[c:9](:[c:8]):[c:10]>>[c:4](:[c:5])(:[c:6])-[O:11]-[B:14](-[O:13])-[O:15].[n:1]:[n:2](:[c:3](:[c:7])-[Br:12]):[c:9](:[c:8]):[c:10]	2	46392,46393
+[c:1]:[c:12]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6](-[c:7](:[c:8]):[c:9]):[n:10]:[c:11]:1>>[c:7](:[c:8])(:[c:9])-[B:15](-[O:14])-[O:16].[c:1]:[c:12]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6](:[n:10]:[c:11]:1)-[Br:13]	2	46402,46417
+[C:1]=1-[C:2](-[c:3](:[c:4]):[c:5])=[N:6]-[N:7]-[C:8]-[C:9]=1>>[c:3](:[c:4])(:[c:5])-[B:12](-[O:11])-[O:13].[C:1]=1-[C:2](=[N:6]-[N:7]-[C:8]-[C:9]=1)-[Cl:10]	2	46461,46688
+[c:1]:[c:2](-[c:3](:[c:4]:[c:6]:[n:5]):[c:7]):[c:8]>>[c:3](:[c:4]:[c:6]:[n:5])(:[c:7])-[B:11](-[O:10])-[O:12].[c:1]:[c:2](:[c:8])-[Br:9]	2	46487,46676
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6](:[n:7]):[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[B:12](-[O:11])-[O:13].[c:3]:1(:[n:4]:[n:5]:[c:6](:[n:7]):[c:8]:1)-[I:10]	2	46592,46738
+[c:1]:[c:2]:1:[s:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[c:9]:1:[n:10]>>[c:5](:[c:6])(:[c:7])-[B:13](-[O:12])-[O:14].[c:1]:[c:2]:1:[s:3]:[c:4](:[c:8]:[c:9]:1:[n:10])-[Br:11]	2	46613,51613
+[n:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[n:7]:[c:8]:1:[c:9]>>[c:4](:[c:5])(:[c:6])-[B:12](-[O:11])-[O:13].[n:1]:1:[n:2]:[c:3](:[n:7]:[c:8]:1:[c:9])-[Br:10]	2	46614,53411
+[c:1]:[c:2](-[N:3](-[N:4]=[C:5])-[C:7](-[N:6])=[O:8]):[c:9]>>[c:1]:[c:2](:[c:9])-[B:11](-[O:10])-[O:12].[N:3](-[N:4]=[C:5])-[C:7](-[N:6])=[O:8]	2	46702,46730
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]):[c:8]:[n:9]>>[c:1]:[c:2](:[c:8]:[n:9])-[B:10](-[O:11])-[O:13].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[Br:12]	2	46759,46774
+[C:1]-1(-[c:2](:[n:3]):[c:4])-[O:5]-[C:7]-[C:6]-[O:8]-1>>[C:6](-[C:7]-[O:9])-[O:8].[C:1](-[c:2](:[n:3]):[c:4])=[O:5]	2	46956,46957
+[C:1]-[c:2]:1:[c:3](:[c:4]:[n:5]:[o:6]:1)-[C:7]>>[N:5]-[O:6].[C:1]-[C:2](-[C:3](=[C:4]-[O:9])-[C:7])=[O:8]	2	47085,47169
+[c:1]:1:[n:2]:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[c:8]:[c:9]:1:2>>[N:2](=[O:10])-[O:11].[C:1]-[c:9]:1:[c:4](-[N:3]):[c:5]:[n:6]:[c:7]:[c:8]:1	2	47200,47207
+[S:1]=[C:2](-[c:3]:[c:5]:[n:4])-[N:6]>>[S:1].[C:2](-[c:3]:[c:5]:[n:4])#[N:6]	2	47370,47373
+[c:1]-[S:2](=[O:3])(=[O:4])-[c:5]>>[O:3]=[S:7](-[O:6])-[O:8]-[O:4].[c:1]-[S:2]-[c:5]	2	47403,47408
+[C:1](#[N:2])-[S:5]-[C:4]-[C:3]=[O:6]>>[C:1](#[N:2])-[S:5].[C:3](-[C:4]-[Br:7])=[O:6]	2	47471,47478
+[n:1]:[c:2](-[S:3]-[C:4]-[c:5](:[n:6]):[c:7]):[n:8]>>[n:1]:[c:2](-[S:3]):[n:8].[C:4](-[c:5](:[n:6]):[c:7])-[Cl:9]	2	47497,57152
+[n:1]:[c:2]:[c:3]:[c:4](-[C:5]#[N:6]):[c:7]>>[C-:5](#[N:6])~[Cu+:9].[n:1]:[c:2]:[c:3]:[c:4](:[c:7])-[Br:8]	2	47511,47517
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[s:6]>>[C:1]-[Li:8].[C:2](=[O:3])(-[c:4](:[c:5]):[s:6])-[O:7]	2	47547,47550
+[C:1]-[C:2](-[O:3])(-[c:4])-[c:5]>>[C:1]-[Mg:7]-[Br:6].[C:2](=[O:3])(-[c:4])-[c:5]	2	47582,47584
+[c:1]:[c:2](-[N:3]):[c:4]>>[N+:3](=[O:5])(-[O-:6])-[O:7].[c:1]:[c:2]:[c:4]	2	47675,47745
+[N:1]-[c:2]:[c:5](:[n:3]):[n:4]>>[N+:1](-[c:2]:[c:5](:[n:3]):[n:4])(=[O:6])-[O-:7]	2	47770,57187
+[c:1]:[c:2](-[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1	2	47823,53571
+[C:1]-[C:2](-[N:3]=[N+:8]=[N-:7])-[C:4](=[O:5])-[N:6]>>[N-:3]=[N+:8]=[N-:7].[C:1]-[C:2](-[C:4](=[O:5])-[N:6])-[Cl:9]	2	47916,47934
+[N:1](-[C:2]-[c:3](:[c:4]:[n:5]):[n:6])=[N+:8]=[N-:7]>>[N-:1]=[N+:8]=[N-:7].[C:2](-[c:3](:[c:4]:[n:5]):[n:6])-[O:9]	2	47939,47967
+[n:1]:[c:2]:[c:3]-[N:4]=[N+:6]=[N-:5]>>[N-:5]=[N+:6]=[N-:7].[n:1]:[c:2]:[c:3]-[N:4]	2	48004,48055
+[c:1]-[C:2]=[O:3]>>[O:3]=[O+:6]-[O-:5].[c:1]-[C:2]=[C:4]	2	48103,48105
+[N:1]-[C:2]-[c:3]:[c:4]:[n:5]>>[N:1](=[C:2]-[c:3]:[c:4]:[n:5])-[O:6]	2	48148,50267
+[c:1]:1:[c:2]:[c:3]:[n:4](-[c:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:2):[c:11]:1:[c:12]>>[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[Cl:13].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:11]:1:[c:12]	2	48158,50304
+[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[c:7](:[c:8]):[c:9]>>[c:7](:[c:8])(:[c:9])-[B:11](-[O:10])-[O:12].[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	2	48161,50015
+[c:1]:1:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[c:7]:[n:8]:[o:9]:1>>[c:1]:1:[c:2](-[C:3](=[O:4])-[O:10]):[c:7]:[n:8]:[o:9]:1.[N:5]-[C:6]	2	48253,53105
+[c:1](:[c:2]-[C:3]-[C:4]):[s:5]>>[c:1](:[c:2]-[C:3](-[C:4])=[O:6]):[s:5]	2	48285,52380
+[O:1]-[C:2]=[C:3]-[c:4]:[c:5]:[n:6]>>[C:3](-[c:4]:[c:5]:[n:6])=[O:7].[O:1]-[C:2]-[P+:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:26]:[c:25]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	2	48300,56749
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[c:7](:[c:8]):[c:9]>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1.[c:7](:[c:8])(:[c:9])-[F:10]	2	48302,50230
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:1:[c:6]>>[c:1]:1:[c:2]:[c:3]:[n:4](:[c:5]:1:[c:6])-[S:12](-[c:11]:2:[c:10]:[c:9]:[c:8](-[C:7]):[c:16]:[c:15]:2)(=[O:13])=[O:14]	2	48409,53999
+[C:1]-[C:2]=[C:3]-[c:4]>>[C:3](-[c:4])=[O:20].[C:1]-[C:2]-[P+:5](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:24]:3:[c:18]:[c:19]:[c:21]:[c:22]:[c:23]:3	2	48451,54136
+[C:1](-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:2-[C:7](=[O:8])-[N:9]-[C:10](-[C:11])=[N:12]-[n:13]:1:2)-[C:14](-[C:15])=[O:16]>>[C:1](-[C:2](-[N:3]-[C:4](-[C:5])-[c:6]:1:[c:7](-[O:8]):[n:9]:[c:10](-[C:11]):[n:12]:[n:13]:1)=[O:17])-[C:14](-[C:15])=[O:16]	2	48525,52267
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]:[c:8]:[n:9]):[c:10]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:10]:1)-[Cl:11].[O:6]-[c:7]:[c:8]:[n:9]	2	48600,48602
+[c:1]:[c:2]:[c:3]>>[c:1]:[c:2](:[c:3])-[O:4]	2	48745,53266
+[c:1]-[O:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[c:1]-[O:2].[C:3](=[O:4])(-[C:5]=[C:6])-[Cl:7]	2	48751,53790
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-1-[C:6](=[O:7])-[C:8](-[O:9])-[C:10]-1(-[c:11])-[c:12]>>[C:6](=[O:7])(-[C:8]-[O:9])-[O:13].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]=[C:10](-[c:11])-[c:12]	2	48781,48782
+[O:1]-[C:2]-1(-[C:3](=[O:4])-[O:5])-[C:6]-[C:7]-1>>[O:1]-[C:2](-[C:3](=[O:4])-[O:5])-[C:6]-[C:7]-[Br:8]	2	48852,50707
+[c:1]-[S:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:8].[c:1]-[S:2]	2	48887,49180
+[C:1]=[C:2]-[C:3]=[C:4]-[C:5]=[O:6]>>[C:1]=[C:2]-[C:3]=[O:16].[C:4](-[C:5]=[O:6])=[P:21](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(-[c:20]:2:[c:14]:[c:15]:[c:17]:[c:18]:[c:19]:2)-[c:22]:3:[c:7]:[c:26]:[c:25]:[c:24]:[c:23]:3	2	49273,51685
+[C:1]-1(-[c:2])-[C:3]-[O:4]-1>>[C:1](-[c:2])(-[C:3]-[Cl:5])=[O:4]	2	49431,52735
+[C:1](-[c:2](:[c:3]):[c:4])(-[c:5](:[c:6]):[n:7])-[O:8]>>[C:1](-[c:5](:[c:6]):[n:7])=[O:8].[c:2](:[c:3])(:[c:4])-[Mg:10]-[Br:9]	2	49467,56313
+[c:1]-[C:2]-[N:3]-1-[C:4]=[C:5]-[c:6](:[c:7]):[c:9](:[c:8])-[C:10]-1=[O:11]>>[n:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[c:10]:1-[O:11].[c:1]-[C:2]-[Cl:12]	2	49468,50010
+[c:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7]>>[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7].[c:1]-[C:2]-[Cl:9]	2	49790,50280
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:7](=[O:6])-[O:8]-[C:9]-[C:10]-1-[c:5]:2:[c:4]:[c:20]:[c:19]:[c:18]:[c:17]:2-[c:16]:3:[c:11]-1:[c:12]:[c:13]:[c:14]:[c:15]:3	2	49855,49857
+[O:1]=[C:2]-[N:6]-[C:4](-[c:3])-[O:5]>>[O:1]=[C:2]-[N:6]-[C:4](-[c:3])=[O:5]	2	49958,51281
+[c:1]-[S:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:9].[c:1]-[S:2]	2	50012,50748
+[c:1]:[c:2](-[C:3]=[C:4]-[N:5]):[c:6]>>[C:3]=[C:4]-[N:5].[c:1]:[c:2](:[c:6])-[Br:7]	2	50064,50065
+[C:1]-[C:2](-[N:3]-[C:4]=[O:5])-[n:6]:1:[n:7]:[n:8]:[c:9]:[c:10]:1:[c:11]>>[n:6]:1:[n:7]:[n:8]:[c:9]:[c:10]:1:[c:11].[N:3]-[C:4]=[O:5].[C:1]-[C:2]=[O:12]	2	50144,50145
+[c:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:1-[C:8]-[c:9]>>[c:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:1.[C:8](-[c:9])-[Br:10]	2	50212,56201
+[c:1]:[c:2](-[C:3](-[O:4])-[c:5](:[c:6]:[n:7]):[n:8]):[c:9]>>[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8].[c:1]:[c:2](:[c:9])-[Br:10]	2	50345,50346
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5]#[C:6]):[n:7]:[c:8]:1>>[C:5]#[C:6].[c:1]:1:[n:2]:[c:3]:[c:4](:[n:7]:[c:8]:1)-[I:9]	2	50358,53506
+[c:1]-[C:2]-[C:3]-[C:4]=[O:5]>>[C:3]-[C:4]=[O:5].[c:1]-[C:2]=[O:6]	2	50426,50427
+[c:1]:1:[c:2]:[n:3]:2:[c:4]:[n:5]:[c:6]:[c:7]:2:[c:8]:[n:9]:1>>[c:1]:1:[c:2]:[n:3]:[c:7](-[C:6]-[N:5]-[C:4]=[O:10]):[c:8]:[n:9]:1	2	50638,57053
+[C:1]=[C:2]-[O:3]>>[C:1](-[C:2]-[O:3])-[Cl:4]	2	50766,51600
+[c:1]-[C:2](=[O:3])-[O:4]-[c:5]>>[O:4]-[c:5].[c:1]-[C:2](=[O:3])-[O:6]	2	50848,55066
+[N:1](-[C:2])-[C:3](-[C:4])-[c:6]:[c:5]:[n:7]>>[N:1]-[C:2].[C:3](-[C:4])(-[c:6]:[c:5]:[n:7])=[O:8]	2	50942,51258
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6])-[c:7]):[c:8]:1>>[C:5](-[c:6])(-[c:7])-[O:9].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:8]:1	2	50962,50963
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5]-[c:6]):[s:7]:1>>[C:5](-[c:6])=[O:8].[c:1]:1:[c:2]:[c:3]:[c:4]:[s:7]:1	2	50991,50992
+[c:1]-[n:2]:1:[n:3]:[c:4]:[c:5](:[c:6]):[c:8]:1:[c:7]>>[C:4](-[c:5](:[c:6]):[c:8](:[c:7])-[F:10])=[O:9].[c:1]-[N:2]-[N:3]	2	50995,50996
+[C:1]-[c:2](:[n:3]):[c:5]:[n:4]>>[C:1](-[c:2](:[n:3]):[c:5]:[n:4])-[C:6]	2	51316,51371
+[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:[c:6]:1-[N:7](-[C:8])-[c:9]):[n:10]>>[N:7](-[C:8])-[c:9].[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:[c:6]:1-[Cl:11]):[n:10]	2	51377,51380
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7]>>[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7])-[Cl:10].[c:1]-[O:2]	2	51393,51414
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[C:7](=[O:8])-[O:10]):[c:9]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[O:5]-[C:6]-[C:7](=[O:8])-[O:10])-[C:9]=[O:11]	2	51508,56639
+[c:1](-[C:2](=[O:3])-[O:4]):[c:5]-[N:6]>>[c:1]:1-[C:2](=[O:3])-[C:7](=[O:4])-[N:6]-[c:5]:1	2	51523,51640
+[C:1]-[N:2](-[C:3]-[c:4])-[c:5](:[n:6]):[c:7]>>[C:3](-[c:4])-[Br:8].[C:1]-[N:2]-[c:5](:[n:6]):[c:7]	2	51639,55637
+[C:1]-[C:2]-[C:3]-[C:4](=[C:5]-[C:6])-[Se:7]>>[C:1]-[C:2]=[C:3]-[C:4](=[C:5]-[C:6])-[Se:7]	2	51663,53169
+[C:1]-[C:2](-[N:3])=[O:11]>>[C:1]-[C:2](-[O:10])=[O:11].[n:3]:1:[c:8]:[c:7]:[n:6](:[c:9]:1)-[C:13](=[O:12])-[n:14]:2:[c:5]:[n:4]:[c:16]:[c:15]:2	2	51677,56520
+[C:1]-[C:2]-1=[N:3]-[c:4]:[c:5](:[n:6])-[N:7](-[c:8])-[C:9]-1=[O:10]>>[N:3]-[c:4]:[c:5](:[n:6])-[N:7]-[c:8].[C:1]-[C:2](-[C:9](=[O:10])-[O:12])=[O:11]	2	51796,55617
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](:[c:6]):[c:8](:[c:7]):[c:9](:[c:10]):[c:12]:1:[c:11]>>[c:1]:[c:2](:[c:3]:[c:4])-[c:12](:[c:9](-[c:5](:[c:6]):[c:8]:[c:7]):[c:10]):[c:11]	2	51821,55847
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3](:[c:4]:[n:5]:1)-[S:9](-[N:7](-[C:6])-[C:8])(=[O:10])=[O:11]	2	51839,53242
+[N:1]-[c:2](:[s:3]):[c:4]>>[N:1](-[c:2](:[s:3]):[c:4])-[C:6](-[C:5])=[O:7]	2	51871,56011
+[c:1]-[N:2]-[C:3](-[c:4])=[C:5]-[C:6](=[O:7])-[N:8]>>[C:3](-[c:4])(=[C:5]-[C:6](=[O:7])-[N:8])-[O:11]-[C:10]-[C:9].[c:1]-[N:2]	2	51923,51924
+[C:1](-[C:2]-[C:3](-[c:4])-[c:5])(=[O:6])-[O:7]>>[C:1](-[C:2]=[C:3](-[c:4])-[c:5])(=[O:6])-[O:7]	2	51925,54736
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:5](=[O:4])-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1	2	51932,52021
+[C:1]=[N:2]>>[C:1]=[N:2]-[C:4](=[O:3])-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1	2	51934,51936
+[c:1]:[c:2]:1:[n:3]:[c:4](:[c:5]:[c:7]:1):[n:6]>>[c:1]:[c:2]:1:[n:3](:[c:4](:[c:5]:[c:7]:1):[n:6])-[S:9](=[O:8])(=[O:10])-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2	2	51954,57015
+[c:1]:[c:3](:[c:2])-[C:4](-[c:5])-[C:6]>>[c:1]:[c:3]:[c:2].[C:4](-[c:5])(-[C:6])-[O:7]	2	52042,53798
+[N:1](-[C:2]-[C:3])-[C:5](-[C:4])=[O:6]>>[N:1]#[C:2]-[C:3].[C:4]-[C:5](=[O:6])-[O:9]-[C:8]-[C:7]	2	52079,53856
+[c:1]-[C:2](-[c:3])=[C:4](-[C:5])-[C:6]>>[c:1]-[C:2](-[c:3])(-[C:4](-[C:5])-[C:6])-[O:7]	2	52085,54731
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3](:[c:4]:[n:5]:1)-[C:21](-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2)(-[c:20]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3)-[c:22]:4:[c:8]:[c:7]:[c:6]:[c:24]:[c:23]:4	2	52108,52111
+[c:1]-[C:2](=[O:3])-[c:4](:[c:5]:[n:6]):[n:7]>>[c:1]-[C:2](-[O:3])-[c:4](:[c:5]:[n:6]):[n:7]	2	52109,55470
+[N:1]-[c:2](:[n:3]):[c:4]>>[N:1](-[c:2](:[n:3]):[c:4])=[C:14](-[c:13]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)-[c:15]:2:[c:7]:[c:6]:[c:5]:[c:17]:[c:16]:2	2	52132,52133
+[O:1]-[C:2]-[c:3]:1:[c:4]:[o:5]:[n:6]:[c:7]:1>>[O:1]=[C:2](-[c:3]:1:[c:4]:[o:5]:[n:6]:[c:7]:1)-[O:8]	2	52215,52216
+[c:1]:[c:2]:1-[C:3](=[O:4])-[N:5]-[C:6](-[C:7])=[N:8]-[n:9]:1:[c:10]-[C:11]-[C:12](-[C:13])-[O:14]>>[c:1]:[c:2]:1-[C:3](=[O:4])-[N:5]=[C:6](-[C:7])-[N:8]-[n:9]:1:[c:10]-[C:11]-[C:12](-[C:13])=[O:14]	2	52271,53907
+[N:1]-[c:2]>>[N:1](-[c:2])(-[C:7]-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:16]:[c:15]:1)-[C:8]-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2	2	52311,56305
+[N:1](-[C:2])-[C:5]-[C:4]=[C:3]>>[N:1](-[C:2])(-[C:5]-[C:4]=[C:3])-[C:10]-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:1	2	52414,56345
+[C:1](-[C:2]-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)#[N+:8]>>[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)=[O:9].[C-:1]#[N+:8]	2	52775,55403
+[N:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8](-[O:7]-[C:6]):[c:14]:[c:13]:1	2	52867,55151
+[C:1](=[C:2](-[C:3](=[O:4])-[N:5](-[C:6])-[c:7])-[C:8]=[C:9])-[N:10]>>[N:5](-[C:6])-[c:7].[C:1](=[C:2](-[C:3](=[O:4])-[O:11])-[C:8]=[C:9])-[N:10]	2	52901,52902
+[c:1]:[c:2](-[C:3](-[C:4])-[N:5]-[c:6]):[o:7]>>[N:5]-[c:6].[c:1]:[c:2](-[C:3](-[C:4])=[O:8]):[o:7]	2	52950,53828
+[C:1](=[O:2])-[C:3]=[C:4]-[C:5]=[C:6]>>[C:4](-[C:5]=[C:6])=[O:18].[C:1](=[O:2])-[C:3]=[P:23](-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)(-[c:22]:2:[c:16]:[c:17]:[c:19]:[c:20]:[c:21]:2)-[c:24]:3:[c:9]:[c:8]:[c:7]:[c:26]:[c:25]:3	2	53005,53006
+[C:1](-[c:2]:[c:3]:[n:4])=[O:5]>>[C:1](-[c:2]:[c:3]:[n:4])(=[O:5])-[O:7]-[C:6]	2	53036,55918
+[C:1]-[O:13]>>[C:1]-[O:13]-[Si:18](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[C:15](-[C:14])(-[C:16])-[C:17])-[c:19]:2:[c:2]:[c:3]:[c:4]:[c:5]:[c:6]:2	2	53058,53065
+[C:1]-[O:2]>>[C:1]-[O:2]-[Si:16](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[C:13](-[C:12])(-[C:14])-[C:15])-[c:17]:2:[c:5]:[c:4]:[c:3]:[c:19]:[c:18]:2	2	53076,53080
+[c:1]:1:[n:2]:[c:3]:2:[c:4](:[n:5]:[c:6](:[c:7]:2:[c:8]):[c:9]):[c:10]:[c:11]:1>>[c:1]:1:[n:2]:[c:3](:[c:4](-[N:5]=[N+:13]=[N-:12]):[c:10]:[c:11]:1)-[c:7](:[c:6]:[c:9]):[c:8]	2	53121,56793
+[C:1]=[C:2]-[C:3]=[O:4]>>[C:1]=[C:2]-[C:3]-[O:4]	2	53160,53859
+[O:1]-[C:2]-[C:3]-[C:4]-[O:5]>>[O:1]=[C:2](-[C:3]-[C:4](-[O:5]-[C:10]-[C:11])=[O:9])-[O:8]-[C:7]-[C:6]	2	53215,53450
+[c:1]:[c:2](-[S:3]-[C:4]-[c:5](:[c:6]:[o:7]):[n:8]):[n:9]>>[C:4](-[c:5](:[c:6]:[o:7]):[n:8])-[Cl:10].[c:1]:[c:2](-[S:3]):[n:9]	2	53290,53291
+[N:1]-1-[C:2]-[C:3]-[C:4]-[c:5]:2:[n:6]:[c:7]:[c:8]:[n:9]:[c:10]-1:2>>[n:1]:1:[c:2]:[c:3]:[c:4]:[c:5]:2:[n:6]:[c:7]:[c:8]:[n:9]:[c:10]:1:2	2	53303,55844
+[C:1]=[C:2]-[c:3]:[c:5]:[n:4]>>[C:2](-[c:3]:[c:5]:[n:4])=[O:6].[C:1]-[P+:11](-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:25]:[c:24]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	2	53313,53370
+[C:1]-[c:2]:1:[c:3](-[c:4]):[n:5]:[c:6](-[c:7]):[o:8]:1>>[C:1]-[C:2](-[C:3](-[c:4])-[N:5]-[C:6](-[c:7])=[O:8])=[O:9]	2	53451,53460
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[c:1]:[c:2]:[c:3](:[c:4])-[O:5]-[c:6](:[c:7](:[c:8])-[Br:10]):[c:9]	2	53560,55322
+[C:1](-[C:2]=[C:3])-[O:4]>>[C:1](-[C:2]=[C:3])(=[O:4])-[O:5]	2	53858,56860
+[n:1]:[c:3](:[c:2])-[C:4](-[c:5])-[O:6]>>[n:1]:[c:3](:[c:2])-[C:4](-[c:5])=[O:6]	2	53875,56020
+[N:1]-[C:2](=[O:3])-[C:4](-[O:5])-[c:6]>>[N:1]-[C:2](=[O:3])-[C:4](=[O:5])-[c:6]	2	53892,53893
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5]:[c:6]:[c:7](:[c:8]):[c:10]:1:[c:9]>>[c:1]:[c:2]:[c:3](:[c:4])-[C:5]=[C:6]-[c:7](:[c:8]):[c:10]:[c:9]	2	54104,54105
+[c:1]-[S:2]>>[c:1]-[S:2](-[C:3])=[O:4]	2	54153,55475
+[O:1]=[C:2](-[C:3])-[C:4]-[n:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:1>>[O:1]=[C:2](-[C:3])-[C:4]-[Br:10].[n:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:1	2	54246,56995
+[O:1]-[C:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[s:7]:1)(-[C:8])-[c:9]>>[c:3]:1:[c:4]:[n:5]:[c:6]:[s:7]:1.[O:1]=[C:2](-[C:8])-[c:9]	2	54675,55609
+[O:1]=[C:2]-[c:3](:[c:4]:[n:5]):[n:6]>>[O:1]=[C:2](-[c:3](:[c:4]:[n:5]):[n:6])-[N:9](-[O:8]-[C:7])-[C:10]	2	54678,57182
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5](-[C:6]):[c:7]:1:[c:8]>>[c:1]:[c:2]:1-[C:3]-[C:4]-[N:5](-[C:6])-[c:7]:1:[c:8]	2	54763,57094
+[c:1]:[c:2](-[N:3]-1-[C:4]=[C:5]-[C:6]=[C:7]-[C:8]-1=[O:9]):[c:10]:[n:11]>>[c:1]:[c:2](:[c:10]:[n:11])-[Br:12].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[O:9]	2	55176,55633
+[N:1]-[C:2]-[C:3](=[O:4])-[N:5]>>[N:1](-[C:2]-[C:3](=[O:4])-[N:5])-[C:7](=[O:6])-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1	2	55552,55556
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5](:[c:6]):[n:9]:1:[c:8]:[c:7]>>[C:1]-[C:2](-[N:3]-[C:4]-[c:5](:[c:6]):[n:9]:[c:8]:[c:7])=[O:10]	2	55635,55765
+[O:1]=[C:2]-[O:3]>>[O:1]=[C:2]-[O:3]-[C:7]-[C:6]-[C:5]-[C:4]	2	55668,57359
+[c:1]:1:[c:2]:[n:3](-[C:4]-[c:5]):[c:6]:[c:7]:1>>[C:4](-[c:5])-[Cl:8].[c:1]:1:[c:2]:[n:3]:[c:6]:[c:7]:1	2	55879,55880
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[c:6])-[C:7](-[C:8])=[O:9]	2	55994,56062
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3](:[c:4]:[n:5]:1)-[C:10](-[c:9]:2:[c:8]:[c:7]:[c:6]:[c:24]:[c:23]:2)(-[c:11]:3:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:3)-[c:17]:4:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:4	2	56102,56106
+[N:1]-[C:2]-[C:3](=[O:4])-[N:5]>>[N:1](-[C:2]-[C:3](=[O:4])-[N:5])(-[C:10]-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:19]:[c:18]:1)-[C:11]-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2	2	56289,56290
+[N:1]-[S:2]>>[N:1](-[S:2])-[C:4](=[O:3])-[O:5]-[C:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	2	56461,56554
+[n:1]:[c:2]:[c:3]-[N:4]>>[n:1]:[c:2]:[c:3]-[N:4]-[C:10](=[O:9])-[O:11]-[C:12]-[c:13]:1:[c:8]:[c:7]:[c:6]:[c:5]:[c:14]:1	2	56462,56556
+[C:1]-[N:2]-[C:3]-[C:4](=[O:5])-[O:6]>>[C:1]-[N:2](-[C:3]-[C:4](=[O:5])-[O:6])-[C:7](-[O:8]-[C:9]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)=[O:16]	2	56483,56484
+[C:1]-[c:2]:1:[c:3](-[C:4]):[n:5]:[c:6](-[c:7](:[n:8]):[c:9]):[o:10]:1>>[C:1]-[C:2](-[C:3](-[C:4])-[N:5]-[C:6](-[c:7](:[n:8]):[c:9])=[O:11])=[O:10]	2	56495,56496
+[n:1]:[c:2](-[N:3]):[c:4]>>[n:1]:[c:2](-[N:3]-[C:6](=[O:5])-[O:7]-[C:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1):[c:4]	2	56560,56561
+[C:1]-[O:2]>>[C:1]-[O:2]-[Si:17](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[C:14](-[C:13])(-[C:15])-[C:16])-[c:18]:2:[c:6]:[c:5]:[c:4]:[c:3]:[c:19]:2	2	57028,57036
+[c:1]:1:[c:2]:[c:3](-[n:4]:2:[n:5]:[c:6]:[n:7]:[c:8]:2):[n:9]:[c:10]:[n:11]:1>>[c:1]:1:[c:2]:[c:3](:[n:9]:[c:10]:[n:11]:1)-[Cl:12].[n:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:1	2	57205,57206
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6](-[O:7]):[n:8]:1):[n:9]:[n:10]:[c:11]:2>>[c:1]-[C:2](-[N:3]-[c:4]:1:[c:5](-[C:6](=[O:7])-[N:8]):[n:9]:[n:10]:[c:11]:1)=[O:12]	2	57332,57333
+[c:1](-[C:2]=[O:3]):[c:4]:[o:5]>>[c:1](-[C:2]-[O:3]):[c:4]:[o:5]	2	57353,57357
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:6]-[Br:7])-[C:8]>>[Br:7].[C:5](-[C:6]-[O:10])(-[C:8])-[O:9].[C:1]-[C:2](=[O:3])-[O:4]	1	6
+[c:1]-[C:2]-[Br:3]>>[Br:3].[c:1]-[C:2]-[Cl:4]	1	23
+[C:1](-[C:2](-[C:3](=[N:4])-[C:6]=[C:5])-[Br:8])=[O:7]>>[Br:8].[C:1](-[C:2]-[C:3](=[N:4])-[C:6]=[C:5])=[O:7]	1	33
+[c:1]-[C:2](=[O:3])-[C:4]-[Br:5]>>[Br:5].[C:4](-[Si:7](-[C:6])(-[C:8])-[C:9])=[N+:10]=[N-:11].[c:1]-[C:2](=[O:3])-[Cl:12]	1	40
+[C:1](-[C:2])-[Br:3]>>[Br:3].[C:1](-[C:2])-[Cl:4]	1	47
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[Br:6]>>[Br:6].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[N:7]	1	56
+[n:1]:[c:6]:[c:2]:[c:3](-[Br:4]):[c:5]>>[Br:4].[n:1]:[c:6]:[c:2]:[c:3](:[c:5])-[N:7]	1	59
+[c:1]:[c:2](:[c:3](:[n:4]):[c:5])-[Br:6]>>[Br:6].[c:1]:[c:2](:[c:3](:[n:4]):[c:5])-[N:7]	1	63
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[B:6](-[Br:5])-[Br:7].[c:1]-[C:2]-[O:4]-[C:8]	1	122
+[C:1](=[O:2])-[C:3](-[C:4]-[Br:6])=[O:5]>>[Br:6]-[Br:7].[C:1](=[O:2])-[C:3](-[C:4])=[O:5]	1	124
+[C:1](-[C:2](-[C:3](=[O:4])-[O:5])-[Br:7])=[O:6]>>[Br:7]-[Br:8].[C:1](-[C:2]-[C:3](=[O:4])-[O:5])=[O:6]	1	127
+[C:1]-[C:2](-[Br:3])(-[C:4](=[O:5])-[N:6])-[C:8](-[N:7])=[O:9]>>[Br:3]-[Br:10].[C:1]-[C:2](-[C:4](=[O:5])-[N:6])-[C:8](-[N:7])=[O:9]	1	142
+[n:1]:[c:2](:[c:3])-[C:6](=[C:5]-[N:4])-[Br:7]>>[Br:7]-[Br:8].[n:1]:[c:2](:[c:3])-[C:6]=[C:5]-[N:4]	1	155
+[c:1]:[c:2](-[Br:3]):[c:4](:[c:5]):[s:6]>>[Br:3]-[Br:7].[c:1]:[c:2]:[c:4](:[c:5]):[s:6]	1	159
+[n:1]:[c:2]:[c:3](:[c:4]:[c:5]:[n:6])-[Br:7]>>[Br:7]-[Br:8].[n:1]:[c:2]:[c:3]:[c:4]:[c:5]:[n:6]	1	168
+[C:1]-[C:2]=[C:3](-[F:4])-[C:5]-[Br:6]>>[Br:6]-[Br:7].[C:1]-[C:2]=[C:3](-[F:4])-[C:5]-[O:8]	1	194
+[c:1]:[c:2](-[C:3]-[Br:5]):[n:4]>>[Br:5]-[Br:6].[c:1]:[c:2](-[C:3]):[n:4]	1	233
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](:[n:6]:1:[c:7]:[c:8])-[Br:9]>>[Br:9]-[Br:10].[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:6]:1:[c:7]:[c:8]	1	238
+[N:1]-[C:2](=[O:3])-[C:4](=[C:5])-[Br:6]>>[Br:6]-[Br:7].[N:1]-[C:2](=[O:3])-[C:4]=[C:5]	1	239
+[c:1]:1:[c:2](-[Br:3]):[c:4]:[n:5]:[c:6]:1:[n:7]>>[Br:3]-[Br:8].[c:1]:1:[c:2]:[c:4]:[n:5]:[c:6]:1:[n:7]	1	268
+[c:1]:[c:2](-[Br:3]):[c:4](:[c:5]:[n:6]):[s:7]>>[Br:3]-[Br:8].[c:1]:[c:2]:[c:4](:[c:5]:[n:6]):[s:7]	1	283
+[C:1](-[C:2](-[C:3](=[O:4])-[C:5])-[Br:8])(-[C:6])=[O:7]>>[Br:8]-[Br:9].[C:1](-[C:2]-[C:3](=[O:4])-[C:5])(-[C:6])=[O:7]	1	289
+[c:1](:[c:2])(:[c:4]:[n:3])-[Br:5]>>[Br:5]-[Br:6].[c:1](:[c:2])(:[c:4]:[n:3])-[C:8](=[O:7])-[O:9]	1	307
+[c:1]:1:[s:2]:[c:3]:[c:4](-[Br:5]):[c:6]:1:[n:7]>>[Br:5]-[Br:8].[c:1]:1:[s:2]:[c:3]:[c:4]:[c:6]:1:[n:7]	1	328
+[c:1](:[c:2])(:[c:4](:[c:3]:[n:6]):[n:5])-[Br:7]>>[Br:7]-[Br:8].[c:1](:[c:2]):[c:4](:[c:3]:[n:6]):[n:5]	1	331
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[Br:6]):[c:7]:1>>[Br:6]-[Br:8].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:[c:7]:1	1	343
+[c:1]:[c:3]:1:[c:2]:[n:7]:[c:6]:[c:5](:[n:4]:1)-[Br:8]>>[Br:8]-[Br:9].[c:1]:[c:3]:1:[c:2]:[n:7]:[c:6]:[c:5]:[n:4]:1	1	347
+[n:1]:1:[c:2]:[c:3](:[c:4](:[c:5]:[n:6]):[c:7]:1)-[Br:8]>>[Br:8]-[Br:9].[n:1]:1:[c:2]:[c:3]:[c:4](:[c:5]:[n:6]):[c:7]:1	1	377
+[N:1]-1-[C:2](=[O:3])-[C:4](-[Br:5])=[C:6]-[N:7]=[C:8]-1-[N:9]-[c:10]>>[Br:5]-[Br:11].[N:1]-1-[C:2](=[O:3])-[C:4]=[C:6]-[N:7]-[C:8]-1=[N:9]-[c:10]	1	379
+[O:1]=[C:2]-[C:3](-[Br:4])-[c:5]>>[Br:4]-[Br:6].[O:1]=[C:2]-[C:3]-[c:5]	1	396
+[c:1]:1:[c:2]:[c:3]:[c:4](-[Br:5]):[n:6]:1>>[Br:5]-[Br:7].[c:1]:1:[c:2]:[c:3]:[c:4]:[n:6]:1	1	406
+[c:1]:1:[c:2]:[c:3]:[c:4](-[Br:5]):[o:6]:1>>[Br:5]-[Br:7].[c:1]:1:[c:2]:[c:3]:[c:4]:[o:6]:1	1	408
+[c:1]:1:[n:2]:[c:3]:[c:4](-[Br:5]):[o:6]:1>>[Br:5]-[Br:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[o:6]:1	1	421
+[N:1]-[C:5](=[C:3](-[C:2])-[N+:4])-[C:6]-[Br:7]>>[Br:7]-[Br:8].[N:1]-[C:5](=[C:3](-[C:2])-[N+:4])-[C:6]	1	423
+[n:1]:1:[c:2]:[c:3]:[c:4](-[Br:5]):[c:6]:[c:7]:1>>[Br:5]-[Br:8].[n:1]:1:[c:2]:[c:3]:[c:4]:[c:6]:[c:7]:1	1	437
+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1-[Br:6]>>[Br:6]-[Br:7].[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1	1	457
+[C:1]-[C:2](-[C:3])-[Br:4]>>[Br:4]-[C:6](-[Br:5])(-[Br:7])-[Br:8].[C:1]-[C:2](-[C:3])-[O:9]	1	490
+[c:1]:[c:2](:[n:3]:[c:4]:[c:5])-[Br:6]>>[Br:6]-[C:8](-[Br:7])(-[Br:9])-[Br:10].[c:1]:[c:2]:[n:3]:[c:4]:[c:5]	1	510
+[C:1]#[C:2]-[C:3]-[Br:4]>>[Br:4]-[C:6](-[Br:5])(-[Br:7])-[Br:8].[C:1]#[C:2]-[C:3]-[O:9]	1	513
+[C:1]-[C:2]=[C:3](-[C:4])-[C:5]-[Br:6]>>[Br:6]-[C:8](-[Br:7])(-[Br:9])-[Br:10].[C:1]-[C:2]=[C:3](-[C:4])-[C:5]-[O:11]	1	514
+[o:1]:[c:2](-[C:3]-[Br:4]):[c:5]>>[Br:4]-[C:7](-[Br:6])(-[Br:8])-[Br:9].[o:1]:[c:2](-[C:3]-[O:10]):[c:5]	1	537
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]-[Br:7]>>[Br:7]-[C:9](-[Br:8])(-[Br:10])-[Br:11].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]-[O:12]	1	551
+[C:1]=[C:2]-[C:3]-[C:4]-[Br:5]>>[Br:5]-[C:7](-[Br:6])(-[Br:8])-[Br:9].[C:1]=[C:2]-[C:3]-[C:4]-[O:10]	1	573
+[C:1]-[C:2]-1(-[O:3])-[O:6]-[C:5]-[C:4]-[C:7]-[O:8]-1>>[C:1]-[C:2](-[O:3])=[O:8].[C:4]-1-[C:5]-[O:6]-[C:7]-1	1	575
+[N:1]#[C:2]-[C:3]-1(-[c:4]:[c:6]:[n:5])-[C:7]-[C:8]-1>>[C:7]-[C:8](-[Br:9])-[Br:10].[N:1]#[C:2]-[C:3]-[c:4]:[c:6]:[n:5]	1	578
+[N:1]-[C:2](=[O:3])-[C:4]-1(-[C:5]-[C:6]-1)-[c:7]>>[C:5](-[C:6])(-[Br:8])-[Br:9].[N:1]-[C:2](=[O:3])-[C:4]-[c:7]	1	579
+[C:1](-[C:2]-[O:3]-[c:4])-[Br:5]>>[C:1]-[C:2](-[Br:5])-[Br:6].[O:3]-[c:4]	1	580
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])(-[Br:4])-[Br:5].[O:3]-[S:7](=[O:6])(=[O:8])-[O:9]	1	585
+[O:1]=[C:2]-[c:3]>>[C:2](-[c:3])(-[Br:4])-[Br:5].[O:1]	1	586
+[c:1]-[c:2]:1:[c:3](-[c:4]):[s:5]:[c:6](-[N:7]):[n:8]:1>>[c:1]-[C:2](-[C:3](-[c:4])-[Br:10])=[O:9].[S:5]=[C:6](-[N:7])-[N:8]	1	587
+[C:1]-1-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]-1>>[C:1]-1(-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]-1)(-[Br:8])-[Br:9]	1	588
+[C:1]-1-[C:2]-[C:3]-1>>[C:1]-1-[C:2](-[C:3]-1)(-[Br:4])-[Br:5]	1	590
+[O:1]-[C:2]>>[O:1](-[C:2])-[C:6](-[O:5]-[C:4]-[C:3])-[C:7]	1	591
+[C:1]-[C:2]-1=[C:3]-[C:4]-1>>[C:1]-[C:2]-1(-[C:3](-[C:4]-1)(-[Br:6])-[Br:7])-[Br:5]	1	592
+[N:1]-1-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7](=[C:8](-[C:9]-1)-[C:10])-[Cl:11]>>[N:1]-1-[C:2]=[C:3](-[C:7](=[C:8](-[C:9]-1)-[C:10])-[Cl:11])-[Br:14].[c:4](:[c:5])(:[c:6])-[B:12](-[O:13])-[O:15]	1	593
+[C:1]=[C:2](-[C:3](=[O:4])-[N:5])-[B:7](-[O:6])-[O:8]>>[C:1]=[C:2](-[C:3](=[O:4])-[N:5])-[Br:9].[O:6]-[B:7](-[O:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	1	594
+[N:1]-[C:2](-[C:3](-[C:4])-[N:5]=[N+:9]=[N-:8])=[C:6](-[C:7])-[Br:10]>>[N:1]-[C:2](-[C:3](-[C:4])-[Br:11])=[C:6](-[C:7])-[Br:10].[N-:5]=[N+:9]=[N-:8]	1	595
+[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5]-[C:6]-[C:7]-1=[C:8]>>[C:8](-[Br:9])-[Br:10].[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5]-[C:6]-[C:7]-1=[O:11]	1	596
+[C:1]=[C:2](-[C:3])-[c:4]>>[C:1](-[Br:5])-[Br:6].[C:2](-[C:3])(-[c:4])=[O:7]	1	597
+[C:1]-[C:2]#[C:3]-[C:4]-[O:5]-[C:6]>>[C:1]-[C:2]#[C:3]-[C:4]-[Br:7].[O:5]-[C:6]	1	599
+[C:1]-[O:2]-[C:3]-[C:4](=[C:5])-[Br:6]>>[C:3](-[C:4](=[C:5])-[Br:6])-[Br:7].[C:1]-[O:2]	1	601
+[C:1]-[N:3](-[C:2])-[C:4]-[C:5](=[O:6])-[N:7]-[C:8]>>[C:4](-[C:5](=[O:6])-[Br:10])-[Br:9].[C:1]-[N:3]-[C:2].[N:7]-[C:8]	1	612
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[Br:6].[C:1]-[N:2]	1	614
+[c:1]-1:[c:2]-[O:3]-[C:4]-[C:5](=[O:6])-[N:7]-1>>[C:4](-[C:5](=[O:6])-[Br:8])-[Br:9].[c:1](:[c:2]-[O:3])-[N:7]	1	617
+[C:1](=[O:2])-[c:3]:1:[c:4]:[s:5]:[c:6](-[N:7]):[n:8]:1>>[C:1](=[O:2])-[C:3](-[C:4]-[Br:10])=[O:9].[S:5]=[C:6](-[N:7])-[N:8]	1	623
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])-[C:8](-[C:7])=[O:9]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:10].[C:5](-[C:6])-[C:8](-[C:7])=[O:9]	1	650
+[c:1]:1:[c:2]:[n:3](-[C:4]-[C:5](=[O:6])-[O:7]):[c:8]:[n:9]:1>>[C:4](-[C:5](=[O:6])-[O:7])-[Br:10].[c:1]:1:[c:2]:[n:3]:[c:8]:[n:9]:1	1	656
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:7].[N+:5](-[c:6])(=[O:8])-[O-:9]	1	669
+[C:1](=[O:2])(-[C:3]-[N:4]-1-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-[C:10]-1)-[O:11]>>[C:1](=[O:2])(-[C:3]-[Br:12])-[O:11].[N:4]-1-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-[C:10]-1	1	670
+[C:1](=[O:2])(-[C:3]-[n:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:1)-[O:9]>>[C:1](=[O:2])(-[C:3]-[Br:10])-[O:9].[n:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:1	1	699
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])-[C:7]=[O:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:9].[C:5](-[C:6])-[C:7]=[O:8]	1	707
+[C:1]=[C:2](-[C:3])-[C:4]-[O:5]-[c:6]:[c:7]:[n:8]>>[C:1]=[C:2](-[C:3])-[C:4]-[Br:9].[O:5]-[c:6]:[c:7]:[n:8]	1	714
+[C:1]=[C:2](-[C:3])-[C:4]-[C:5](-[C:6](=[O:7])-[O:8])-[c:9]>>[C:1]=[C:2](-[C:3])-[C:4]-[Br:10].[C:5](-[C:6](=[O:7])-[O:8])-[c:9]	1	716
+[C:1]=[C:2](-[C:3])-[C:4]-[N:5](-[C:6])-[c:7]>>[C:1]=[C:2](-[C:3])-[C:4]-[Br:8].[N:5](-[C:6])-[c:7]	1	718
+[C:1]-[C:2]-[c:3]:1:[c:4]:[s:5]:[c:6]:[c:7]:1>>[C:1]-[C:2]-[Br:8].[c:3]:1(:[c:4]:[s:5]:[c:6]:[c:7]:1)-[Br:9]	1	724
+[c:1]-[S:4]-[C:3]-[C:2]=[O:5]>>[C:2](-[C:3]-[Br:6])=[O:5].[c:1]-[S:4]	1	727
+[c:1]-[N:2]-1-[C:3]-[C:4]-[n:5]:2:[c:6]:[c:7]:[c:8]:[c:9]:2-[C:10]-1=[O:11]>>[C:3](-[C:4]-[Br:13])-[Br:12].[c:1]-[N:2]-[C:10](-[c:9]:1:[n:5]:[c:6]:[c:7]:[c:8]:1)=[O:11]	1	735
+[N:1]-1(-[C:2]-[C:3]-[O:4]-[c:5]:[c:6]-1)-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]>>[C:2](-[C:3]-[Br:15])-[Br:14].[N:1](-[c:6]:[c:5]-[O:4])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	1	736
+[C:1]-[C:2]-[N:3](-[C:4])-[C:6](-[N:5])=[C:7](-[C:8])-[C:9]>>[C:1]-[C:2]-[Br:10].[N:3](-[C:4])-[C:6](-[N:5])=[C:7](-[C:8])-[C:9]	1	746
+[S:1]-[N:2]-1-[C:3]-[C:4]-[O:5]-[c:6]:[c:7]-1>>[C:3](-[C:4]-[Br:8])-[Br:9].[S:1]-[N:2]-[c:7]:[c:6]-[O:5]	1	751
+[N:1]-[C:2](=[O:3])-[C:4]-1(-[C:5](=[O:6])-[O:7])-[C:8]-[C:9]-1>>[C:8](-[C:9]-[Br:11])-[Br:10].[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:7]	1	760
+[N:1]-1-[C:2]-[C:3]-[O:4]-[c:5]:[c:6]-1>>[C:2](-[C:3]-[Br:7])-[Br:8].[N:1]-[c:6]:[c:5]-[O:4]	1	775
+[n:1]:[c:2]-1:[c:3](:[c:4]:[n:5])-[C:6]-2(-[C:7]-[C:8]-2)-[C:9](-[N:10]-1)=[O:11]>>[C:7](-[C:8]-[Br:13])-[Br:12].[n:1]:[c:2]-1:[c:3](:[c:4]:[n:5])-[C:6]-[C:9](-[N:10]-1)=[O:11]	1	777
+[O:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:2:[n:6]:[c:7]:[n:8](-[C:9]-[C:10]):[c:11]:2:[n:12]:1>>[C:9](-[C:10])-[Br:13].[n:3]:1:[c:4]:[c:5]:2:[n:6]:[c:7]:[n:8](:[c:11]:2:[n:20]:[c:19]:1-[N:18]-[C:17]-[C:16]-[C:15]-[C:14])-[C:21]-[C:22]-[C:23]-[C:24]-[C:25]-3-[C:26]-[C:27]-[C:28]-[O:29]-3.[O:1]-[c:2]:1:[n:12]:[c:36](-[N:37]):[c:38]:2:[c:34](:[n:33]:[c:32](-[O:31]-[C:30]):[n:39]:2):[n:35]:1	1	779
+[c:1](-[C:2]-1(-[C:3]#[N:4])-[C:5]-[C:6]-[C:7]-1):[c:8]:[n:9]>>[C:5](-[C:6]-[C:7]-[Br:11])-[Br:10].[c:1](-[C:2]-[C:3]#[N:4]):[c:8]:[n:9]	1	784
+[c:1]-[C:2]-1(-[C:3](=[O:4])-[O:5])-[C:6]-[C:7]-[C:8]-1>>[C:6](-[C:7]-[C:8]-[Br:10])-[Br:9].[c:1]-[C:2]-[C:3](=[O:4])-[O:5]	1	789
+[c:1]-1:[c:2]-[O:3]-[C:4]-[C:5]-[C:6]-[O:7]-1>>[C:4](-[C:5]-[C:6]-[Br:9])-[Br:8].[c:1](:[c:2]-[O:3])-[O:7]	1	796
+[C:1]-1-[C:2]-[C:3]-[C:4](-[C:5]-1)(-[C:6]#[N:7])-[C:9]#[N:8]>>[C:1](-[C:2]-[C:3]-[Br:10])-[C:5]-[Br:11].[C:4](-[C:6]#[N:7])-[C:9]#[N:8]	1	816
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]-[C:7]):[o:8]:1>>[C:6](-[C:7])-[Br:9].[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[o:8]:1	1	840
+[O:1]=[C:2](-[N:3])-[C:6](-[c:4])(-[C:5])-[C:7]-[C:8]>>[C:7](-[C:8])-[Br:9].[O:1]=[C:2](-[N:3])-[C:6](-[c:4])-[C:5]	1	844
+[C:1]-[C:2](-[C:3]-[C:4])(-[C:5](=[O:6])-[O:8])-[c:7]>>[C:3](-[C:4])-[Br:9].[C:1]-[C:2](-[C:5](=[O:6])-[O:8])-[c:7]	1	846
+[O:1]=[C:2]-1-[N:3](-[C:4]-[C:5])-[N:6]=[N:7]-[N:8]-1>>[C:4](-[C:5])-[Br:9].[O:1]=[C:2]-1-[N:3]-[N:6]=[N:7]-[N:8]-1	1	870
+[C:1]-[C:2]-[S:3]-[c:4](:[c:5]):[s:6]>>[C:1]-[C:2]-[Br:7].[S:3]-[c:4](:[c:5]):[s:6]	1	871
+[C:1]-[C:2]-[C:3](-[N:4]-[C:5](-[C:6])=[O:7])(-[C:8](=[O:9])-[O:10])-[C:11](=[O:12])-[O:13]>>[C:1]-[C:2]-[Br:14].[C:3](-[N:4]-[C:5](-[C:6])=[O:7])(-[C:8](=[O:9])-[O:10])-[C:11](=[O:12])-[O:13]	1	872
+[O:1]=[C:2](-[N:3])-[C:5](-[c:4])(-[C:6]-[C:7])-[C:9]-[C:8]>>[C:6](-[C:7])-[Br:10].[C:8]-[C:9]-[Br:11].[O:1]=[C:2](-[N:3])-[C:5]-[c:4]	1	887
+[c:1](-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]):[c:7]:[n:8]>>[C:3](-[C:4])-[Br:9].[C:5]-[C:6]-[Br:10].[c:1](-[N:2]):[c:7]:[n:8]	1	888
+[N:1]#[C:2]-[C:3](-[c:4](:[n:5]):[s:6])(-[C:7]-[C:8])-[C:10]-[C:9]>>[C:7](-[C:8])-[Br:12].[C:9]-[C:10]-[Br:11].[N:1]#[C:2]-[C:3]-[c:4](:[n:5]):[s:6]	1	895
+[C:1](-[C:2](=[O:3])-[O:9])-[N:4](-[C:5]-[C:6])-[C:8]-[C:7]>>[C:5](-[C:6])-[Br:10].[C:7]-[C:8]-[Br:11].[C:1](-[C:2](=[O:3])-[O:9])-[N:4]	1	898
+[C:1](-[C:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])(-[C:8]-[C:9])-[C:11]-[C:10])#[N:12]>>[C:8](-[C:9])-[Br:13].[C:10]-[C:11]-[Br:14].[C:1](-[C:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])#[N:12]	1	899
+[C:1]-[C:2]-1=[C:3]-[C:4](-[O:5])=[C:6](-[Br:7])-[C:8](=[O:9])-[N:10]-1-[C:11]-[c:12]>>[C:11](-[c:12])-[Br:13].[C:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[c:6](-[Br:7]):[c:8](-[O:9]):[n:10]:1	1	908
+[c:1]:[c:2](-[C:3]-[n:4]:1:[n:5]:[n:6]:[c:7]:[c:8]:1:[n:9]):[n:10]>>[c:1]:[c:2](-[C:3]-[Br:11]):[n:10].[n:4]:1:[n:5]:[n:6]:[c:7]:[c:8]:1:[n:9]	1	909
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5]-[N:6](-[C:7]-[c:8]:[c:10]:[n:9])-[C:11](=[O:12])-[C:13](-[F:14])=[C:15]-1-[N:16]>>[C:7](-[c:8]:[c:10]:[n:9])-[Br:17].[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[c:11](-[O:12]):[c:13](-[F:14]):[c:15]:1-[N:16]	1	911
+[c:1]-[C:2](=[O:3])-[O:4]>>[O:4]-[Br:5].[c:1]-[C:2](=[O:3])-[C:6]	1	913
+[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5](-[C:6])-[C:7]-1=[O:8])-[Br:9]>>[Br:9]-[P:11](=[O:10])(-[Br:12])-[Br:13].[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5](-[C:6])-[C:7]-1=[O:8])-[O:14]	1	914
+[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5]-[C:6]-1=[O:7])-[Br:8]>>[Br:8]-[P:10](=[O:9])(-[Br:11])-[Br:12].[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5]-[C:6]-1=[O:7])-[O:13]	1	915
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[P:8](-[Br:4])(-[Br:5])=[O:7].[c:1]-[C:2]-[O:6]	1	919
+[c:1](:[n+:2]:[c:3](:[c:4]):[c:5])(:[c:6])-[Br:7]>>[Br:7]-[P:9](=[O:8])(-[Br:10])-[Br:11].[c:1](:[n+:2]:[c:3](:[c:4]):[c:5]):[c:6]	1	925
+[c:1]:1(:[n:2]:[c:3]:2:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:2:[c:10]:[c:11]:1):[c:8])-[Br:12]>>[Br:12]-[P:14](=[O:13])(-[Br:15])-[Br:16].[C:1]-1(-[N:2]-[c:3]:2:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:2-[C:10]=[C:11]-1):[c:8])=[O:17]	1	926
+[c:1]:[c:2](:[n:3]:[n:4])-[Br:5]>>[Br:5]-[P:7](=[O:6])(-[Br:8])-[Br:9].[c:1]:[c:2](:[n:3]:[n:4])-[O:10]	1	931
+[O:1]=[C:2]-[C:3](=[C:4](-[Br:5])-[c:6])-[C:7]>>[Br:5]-[P:9](-[Br:8])-[Br:10].[O:1]=[C:2]-[N:12](-[C:11])-[C:13].[C:3](-[C:4](-[c:6])=[O:14])-[C:7]	1	951
+[c:1]:1:[c:2](-[Br:3]):[c:4]:[c:5]:[n:6]:[c:7]:1>>[Br:3]-[P:9](-[Br:8])-[Br:10].[c:1]:1:[c:2](:[c:4]:[c:5]:[n:6]:[c:7]:1)-[O:11]	1	952
+[c:1](:[s:2]):[c:3]-[C:4]-[Br:5]>>[Br:5]-[P:7](-[Br:6])-[Br:8].[c:1](:[s:2]):[c:3]-[C:4]-[O:9]	1	953
+[Br:1]-[C:2]-[C:3]=[C:4]>>[Br:1]-[P:6](-[Br:5])-[Br:7].[C:2](-[C:3]=[C:4])-[O:8]	1	971
+[C:1](-[C:2](=[C:3]-[C:4])-[O:5])-[Br:6]>>[Br:6]-[P:8](-[Br:7])-[Br:9].[C:1](-[C:2](=[C:3]-[C:4])-[O:5])-[O:10]	1	990
+[C:1]-[C:2](-[C:3](=[C:4])-[O:5])-[Br:6]>>[Br:6]-[P:8](-[Br:7])-[Br:9].[C:1]-[C:2](-[C:3](=[C:4])-[O:5])-[O:10]	1	994
+[C:1]-[C:2](-[c:3](:[c:4]):[n:5])-[Br:6]>>[Br:6]-[P:8](-[Br:7])-[Br:9].[C:1]-[C:2](-[c:3](:[c:4]):[n:5])-[O:10]	1	998
+[C:1](-[C:2])=[C:3](-[C:4])-[C:5]-[Br:6]>>[Br:6]-[P:8](-[Br:7])-[Br:9].[C:1](-[C:2])=[C:3](-[C:4])-[C:5]-[O:10]	1	1000
+[C:1](-[C:2])-[Br:3]>>[Br:3]-[S:5](=[O:4])-[Br:6].[C:1](-[C:2])-[O:7]	1	1023
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[S:5](=[O:4])-[Br:6].[c:1]-[C:2]-[O:7]	1	1024
+[c:1]:[c:2](:[c:3])-[Br:4]>>[Br:4]-[Cu:6]-[Br:5].[c:1]:[c:2](:[c:3])-[N:7]	1	1025
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[C:3](-[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])=[O:9].[C:1]-[N:2]	1	1039
+[c:1]:[c:2](-[C:3]-[O:4]-[c:5]:[c:7]:[n:6]):[n:8]>>[O:4]-[c:5]:[c:7]:[n:6].[c:1]:[c:2](-[C:3]-[Cl:9]):[n:8]	1	1049
+[C:1](-[C:2]-[O:3]-[c:4]:[c:6]:[n:5])=[O:7]>>[O:3]-[c:4]:[c:6]:[n:5].[C:1](-[C:2]-[Br:8])=[O:7]	1	1051
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5]-1):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:9].[C:3]-1(-[C:4]-[C:5]-1)-[Mg:8]-[Br:7]	1	1062
+[N-:1]=[C:2]=[C:3]-1-[N+:4](-[C:5]=[C:6](-[C:7]=[C:8]-1-[Br:9])-[Br:10])=[O:15]>>[c:3]:1:[n+:4](:[c:5]:[c:6](:[c:7]:[c:8]:1-[Br:9])-[Br:10])-[O-:15].[N:1]#[C:2]-[Si:12](-[C:11])(-[C:13])-[C:14]	1	1067
+[C:1]-[C:2](-[O:3]-[c:4]:[c:5]:[s:6])-[c:7]>>[O:3]-[c:4]:[c:5]:[s:6].[C:1]-[C:2](-[c:7])-[O:8]	1	1071
+[N:1](-[c:2](:[c:3]:[n:4]):[c:6]:[n:5])-[c:7](:[c:8]):[c:9]>>[c:7](:[c:8])(:[c:9])-[Br:10].[N:1]-[c:2](:[c:3]:[n:4]):[c:6]:[n:5]	1	1078
+[c:1]:1:[c:2]:[c:3]:[c:4](-[n:5]:2:[c:6]:[n:7]:[c:8]:[c:9]:2:[c:10]):[s:11]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:11]:1)-[Br:12].[n:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1:[c:10]	1	1101
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[c:3](:[c:4]):[c:6]:[n:5]	1	1109
+[c:1]:[c:2](:[c:3])-[Mg:5]-[Br:4]>>[c:1]:[c:2](:[c:3])-[Br:4].[Mg:5]	1	1111
+[C:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6](-[C:7]-[C:8](=[O:9])-[O:10]):[s:11]:1>>[C:1]-[C:2](-[N:3])=[S:11].[C:4](-[c:5])(-[C:6](-[C:7]-[C:8](=[O:9])-[O:10])-[Br:13])=[O:12]	1	1133
+[c:1]:1:[c:2](-[C:3](-[C:4])(-[C:5])-[O:10]):[c:6]:[c:7]:[n:8]:[c:9]:1>>[c:1]:1:[c:2]:[c:6]:[c:7]:[n:8]:[c:9]:1.[C:3](-[C:4])(-[C:5])=[O:10]	1	1138
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6]:[n:5]):[c:7]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:8].[c:1]:[c:2](:[c:7])-[I:9]	1	1143
+[c:1]:1:[c:2]:[s:3]:[c:4](-[c:5](:[c:6]):[c:8]:[n:7]):[c:9]:1>>[c:5](:[c:6])(:[c:8]:[n:7])-[Br:19].[c:1]:1:[c:2]:[s:3]:[c:4](:[c:9]:1)-[B:14]-2-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-2)(-[C:17])-[C:18]	1	1145
+[O:1]=[C:2]-1-[C:3](=[C:4]-[C:5]=[C:6]-[N:7]-1-[C:8]-[C:9])-[Br:10]>>[O:1]-[c:2]:1:[c:3](:[c:4]:[c:5]:[c:6]:[n:7]:1)-[Br:10].[C:8](-[C:9])-[Br:11]	1	1159
+[C:1]-[N:2]-1-[C:3]=[C:4]-[C:5]=[C:6](-[C:7]-1=[O:8])-[Br:9]>>[n:2]:1:[c:3]:[c:4]:[c:5]:[c:6](:[c:7]:1-[O:8])-[Br:9].[C:1]-[I:10]	1	1160
+[c:1]-[C:2](-[c:3](:[c:4]):[c:6]:[n:5])-[O:7]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Br:8].[c:1]-[C:2]=[O:7]	1	1161
+[n:1]:[c:2](:[c:3]):[c:5](:[c:4])-[c:6]:1:[c:7]:[c:8]:[c:9]:[o:10]:1>>[c:6]:1(:[c:7]:[c:8]:[c:9]:[o:10]:1)-[Br:11].[n:1]:[c:2](:[c:3]):[c:5](:[c:4])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	1	1163
+[C:1]-[O:2]-[C:3]-[c:4](:[c:5]:[n:6]):[n:7]>>[C:3](-[c:4](:[c:5]:[n:6]):[n:7])-[Cl:8].[C:1]-[O:2]	1	1169
+[C:1]-1(=[C:2]-[C:3](=[O:4])-[N:5](-[C:6]-[C:7])-[C:8]=[C:9]-1)-[Br:10]>>[c:1]:1(:[c:2]:[c:3](-[O:4]):[n:5]:[c:8]:[c:9]:1)-[Br:10].[C:6](-[C:7])-[I:11]	1	1184
+[C:1]-[C:2](-[C:3](=[O:4])-[O:12])-[N:5]-1-[C:6]=[C:7]-[C:8](=[C:9]-[C:10]-1=[O:11])-[Br:13]>>[n:5]:1:[c:6]:[c:7]:[c:8](:[c:9]:[c:10]:1-[O:11])-[Br:13].[C:1]-[C:2](-[C:3](=[O:4])-[O:12])-[Br:14]	1	1185
+[C:1]-[C:2]-1=[C:3](-[C:4])-[c:5]:2:[c:6](:[s:7]:[c:8]:[c:9]:2)-[C:10](=[O:11])-[O:12]-1>>[c:5]:1(:[c:6](:[s:7]:[c:8]:[c:9]:1)-[C:10](=[O:11])-[O:12]-[C:13])-[Br:14].[C:1]-[C:2](-[C:3]-[C:4])=[O:15]	1	1191
+[c:1]:1:[c:2]:[s:3]:[c:4](-[C:5](-[O:6])(-[C:7])-[C:8]):[n:9]:1>>[c:1]:1:[c:2]:[s:3]:[c:4](:[n:9]:1)-[Br:10].[C:5](=[O:6])(-[C:7])-[C:8]	1	1212
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[c:9]:[c:10]:1:2>>[C:1]-[C:2](-[c:10]:1:[c:5](:[c:6]:[n:7]:[c:8]:[c:9]:1)-[F:12])=[O:11].[N:3]-[N:4]	1	1218
+[c:1]:[c:4](:[c:3]:[n:2])-[N:5]-[c:6]>>[c:1]:[c:4](:[c:3]:[n:2])-[F:7].[N:5]-[c:6]	1	1219
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:6](:[c:5]):[n:7]:1-[c:8](:[n:9]:[c:10]:[c:11]):[c:12]>>[c:8](:[n:9]:[c:10]:[c:11])(:[c:12])-[Br:13].[c:1]:[c:2]:1:[c:3]:[c:4]:[c:6](:[c:5]):[n:7]:1	1	1224
+[O:1]-[C:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[s:7]:1)-[C:8]>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[s:7]:1)-[Br:9].[O:1]=[C:2]-[C:8]	1	1231
+[C:1](-[C:2]#[N:3])-[C:4](=[O:5])-[c:6](:[c:7]):[o:8]>>[C:4](=[O:5])(-[c:6](:[c:7]):[o:8])-[O:10]-[C:9].[C:1]-[C:2]#[N:3]	1	1237
+[C:1]-[S:2]-[C:3](-[S:4]-[C:5])=[C:6](-[C:7]#[N:8])-[C:9]=[O:10]>>[C:6](-[C:7]#[N:8])-[C:9]=[O:10].[C:1]-[S:12](-[C:11])=[O:13].[C:5]-[I:14].[S:2]=[C:3]=[S:4]	1	1238
+[c:1]:1:[c:2](:[c:3]):[n:4](-[c:5]:2:[n:6]:[c:7]:[c:8]:[s:9]:2):[c:10]:[n:11]:1>>[c:5]:1(:[n:6]:[c:7]:[c:8]:[s:9]:1)-[Br:12].[c:1]:1:[c:2](:[c:3]):[n:4]:[c:10]:[n:11]:1	1	1243
+[c:1]:1:[c:2]:[c:3]:[c:4](-[S:5]-[c:6]):[s:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:7]:1)-[Br:8].[S:5]-[c:6]	1	1249
+[C:1]#[C:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:5].[C:1]#[C:2]	1	1260
+[N:1]-[C:2](=[O:3])-[C:4]#[C:5]-[c:6](:[c:7]):[c:8]>>[N:1]-[C:2](=[O:3])-[C:4]#[C:5].[c:6](:[c:7])(:[c:8])-[I:9]	1	1265
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]-[C:7](=[O:8])-[O:9]):[n:10]:[c:11](-[O:12]):[c:13]:[c:14]:1>>[N:10]-[C:11](=[O:12])-[C:13]#[C:14].[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6]-[C:7](=[O:8])-[O:9])=[O:15]	1	1266
+[C:1]#[C:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[C:1]#[C:2]-[C:3](=[O:4])-[O:7]	1	1267
+[C:1]#[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]>>[C:1]#[C:2]-[C:3](=[O:4])-[O:8].[N:5](-[C:6])-[C:7]	1	1268
+[O:1]=[C:2](-[O:3])-[C:4]#[C:5]-[C:6](-[O:7])-[c:8]>>[C:6](=[O:7])-[c:8].[O:1]=[C:2](-[O:3])-[C:4]#[C:5]	1	1269
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[n:7]:[n:8]:1-[C:9]>>[O:1]-[C:2](=[O:3])-[C:4]#[C:5].[N-:6]=[N+:7]=[N:8]-[C:9]	1	1272
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+[C:1]#[C:2]-[C:3]-[N:4](-[C:5](=[O:6])-[C:7])-[c:8]>>[N:4](-[C:5](=[O:6])-[C:7])-[c:8].[C:1]#[C:2]-[C:3]-[Br:9]	1	1303
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+[c:1]-[C:2](-[C:5](-[C:3]#[N:4])-[C:6]#[N:7])=[O:8]>>[C:3](#[N:4])-[C:5]-[C:6]#[N:7].[c:1]-[C:2](=[O:8])-[Cl:9]	1	1491
+[c:1]-[C:2]-1-[C:3](-[C:4]#[N:5])=[C:6](-[N:7])-[O:8]-[c:9]:2:[c:10]-1:[c:11](-[c:12]):[n:13]:[n:14]:2-[C:15]>>[C:3](-[C:4]#[N:5])-[C:6]#[N:7].[O:8]=[C:9]-1-[C:10]-[C:11](-[c:12])=[N:13]-[N:14]-1-[C:15].[c:1]-[C:2]=[O:16]	1	1492
+[c:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6]-2:[c:7]:1-[C:8](-[c:9])-[C:10](-[C:11]#[N:12])=[C:13](-[N:14])-[O:15]-2>>[C:10](-[C:11]#[N:12])-[C:13]#[N:14].[c:1]-[C:2]-1=[N:3]-[N:4](-[c:5])-[C:6](-[C:7]-1)=[O:15].[C:8](-[c:9])=[O:16]	1	1493
+[C:1]-[C:2](=[O:3])-[C:4]-[C:5]>>[C:1]-[C:2]#[N:12].[C:4](-[C:5])-[Mg:7]-[Br:6].[O:3](-[C:9]-[C:8])-[C:10]-[C:11]	1	1497
+[N:1]-1-[C:2]=[C:3]-[C:4](-[N:5]-[c:6])=[C:7](-[N+:8])-[C:9]-1=[O:10]>>[N:5]-[c:6].[N:1]-1-[C:2]=[C:3]-[C:4](=[C:7](-[N+:8])-[C:9]-1=[O:10])-[Cl:11]	1	1511
+[N:1]-[C:2](-[c:3])=[S:4]>>[N:1]#[C:2]-[c:3].[S:4]=[C:6](-[C:5])-[N:7]	1	1527
+[C:1]-[C:2]=[C:3]-[C:4]-[C:5]>>[C:1]-[C:2]=[C:3].[C:4](-[C:5])-[C:7]=[C:6]	1	1536
+[C:1]=[C:2]-[C:3]-[C:4]-[C:5](-[C:6])=[O:7]>>[C:5](-[C:6])(=[O:7])-[N:11](-[O:10]-[C:9])-[C:12].[C:1]=[C:2]-[C:3]-[C:4]-[Br:8]	1	1544
+[C:1]-[C:2]-[C:3](-[O:4])-[C:5]>>[C:1]-[C:2]-[Br:6].[C:3](=[O:4])-[C:5]	1	1551
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[C:6]=[C:7]-[N:8]-[C:9]-1=[O:10]>>[N:3]-1-[C:4](=[O:5])-[C:6]=[C:7]-[N:8]-[C:9]-1=[O:10].[C:1]-[C:2]-[Br:11]	1	1555
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5])-[C:6]-[C:7]>>[C:6](-[C:7])-[Br:8].[C:5]-[N:11](-[C:10])-[C:12]=[O:13].[C:1](-[C:2]-[C:3]-[N:4])=[C:9]	1	1558
+[C:1]=[C:2]-[C:3]-[C:4]-[C:5](-[O:6])-[c:7]>>[C:1]=[C:2]-[C:3]-[C:4]-[Mg:9]-[Br:8].[C:5](=[O:6])-[c:7]	1	1560
+[C:1]=[C:2]-[C:3]-[C:4]-[C:5](-[O:6])-[C:7]>>[C:1]=[C:2]-[C:3]-[C:4]-[Mg:9]-[Br:8].[C:5](=[O:6])-[C:7]	1	1561
+[C:1]=[C:2]-[C:3]-[C:4](-[C:5])-[C:7](-[N:6])=[O:8]>>[C:1]=[C:2]-[C:3]-[I:9].[C:4](-[C:5])-[C:7](-[N:6])=[O:8]	1	1564
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5](=[O:6])-[N:7]-[C:8])-[C:9](-[O:10]-[C:11](-[C:12])-[C:13])-[C:14]>>[C:5](=[O:6])=[N:7]-[C:8].[C:9](=[O:10])-[C:14].[C:11](-[C:12])(-[C:13])-[O:15].[C:1]=[C:2]-[C:3]-[N:4]	1	1566
+[N:1]-1(-[C:2](-[C:3]-[C:4]-[C:5]-1)=[O:9])-[C:8]-[C:7]=[C:6]>>[C:2](-[C:3]-[C:4]-[C:5]-[Cl:13])(=[O:9])-[O:12]-[C:11]-[C:10].[N:1]-[C:8]-[C:7]=[C:6]	1	1567
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+[C:1]-[N:2](-[C:3]-[C:4])-[C:7]-[C:6]=[C:5]>>[C:1]-[N:2]-[C:7]-[C:6]=[C:5].[C:3](-[C:4])-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11]	1	1574
+[C:1]=[C:2]-[C:3]-[O:4]-[C:5](=[O:6])-[C:7]>>[O:4](-[C:5](=[O:6])-[C:7])-[C:8].[C:1]=[C:2]-[C:3]-[O:9]	1	1575
+[C:1]=[C:2]-[C:3]-[O:4]-[C:5](=[O:6])-[C:7]>>[C:5](=[O:6])(-[C:7])-[O:8].[C:1]=[C:2]-[C:3]-[O:4]	1	1576
+[C:1]-[O:2]-[C:3]-[C:4]=[C:5]>>[C:3](-[C:4]=[C:5])-[O:6].[C:1]-[O:2]	1	1577
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+[s:1]:[c:2](:[c:3])-[C:6]-[C:5]-[N+:4]>>[s:1]:[c:2](:[c:3])-[C:6]=[C:5]-[N+:4]	1	1600
+[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[N:6]-[c:7]>>[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[Cl:8].[N:6]-[c:7]	1	1608
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+[c:1]:1:[c:2]:[c:3](-[N+:4](=[O:5])-[O-:6]):[c:7]:[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:7]:[s:8]:1.[N+:4](=[O:5])(-[O-:6])-[O:9]	1	1633
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]-[C:8](-[N:9])=[O:10]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:11].[N:5](-[C:6])-[C:7]-[C:8](-[N:9])=[O:10]	1	1639
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:6]:[c:8]:[n:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:9].[N:5]-[c:6]:[c:8]:[n:7]	1	1664
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[c:8]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:9].[N:5]-[c:6](:[n:7]):[c:8]	1	1672
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[C:7]=[C:8]>>[C:5](=[O:6])(-[C:7]=[C:8])-[Cl:9].[c:1]-[C:2]-[C:4]-[N:3]	1	1673
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6])-[c:7]>>[C:1]=[C:2]-[C:3](=[O:4])-[Cl:8].[N:5](-[C:6])-[c:7]	1	1685
+[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]>>[C:1]-[C:2]=[C:3]-[C:4](=[O:5])-[Cl:9].[N:6](-[C:7])-[C:8]	1	1688
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+[C:1]-[c:2]:1:[c:3]:[n:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2](-[C:3]-[Br:11])=[O:12].[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1-[N:10]	1	1691
+[C:1]-[C:2](-[c:3]:1:[c:4]:[c:5](:[c:6](:[c:7]):[o:9]:1):[c:8])=[O:10]>>[C:1]-[C:2](-[C:3]-[Br:11])=[O:10].[C:4](-[c:5](:[c:6](:[c:7])-[O:9]):[c:8])=[O:12]	1	1693
+[C:1]-[C:2]-1=[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:10]-1)=[O:11]>>[C:1]-[C:2](-[C:10]-[C:9](=[O:11])-[O:13]-[C:12])=[O:14].[N:3]-[c:4]:1:[c:5]:[c:6]:[n:7]:[n:8]:1	1	1696
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+[n:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:1-[C:6](-[C:7])=[O:8]>>[C:6](-[C:7])(=[O:8])-[N:11](-[O:10]-[C:9])-[C:12].[n:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:1	1	1725
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[s:6]:[c:7]:[c:8]:1>>[C:1]-[C:2](=[O:3])-[N:12](-[O:11]-[C:10])-[C:13].[c:4]:1(:[c:5]:[s:6]:[c:7]:[c:8]:1)-[Br:9]	1	1726
+[C:1]-[C:2](-[C:3]-[c:4])=[O:5]>>[C:1]-[C:2](=[O:5])-[N:8](-[O:7]-[C:6])-[C:9].[C:3]-[c:4]	1	1727
+[C:1]#[C:2]-[C:3]-[N:4]-1-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[N:10](-[c:11])-[C:12]-1=[O:13]>>[C:1]#[C:2]-[C:3]-[N:4]-[C:12](-[N:10]-[c:11])=[O:13].[C:5](=[O:6])=[N:7]-[C:8](=[O:9])-[Cl:14]	1	1732
+[N:1]-[C:2](=[O:3])-[N:4]-[N:5]=[C:6](-[C:7]=[O:8])-[C:9]=[O:10]>>[C:6](-[C:7]=[O:8])(-[C:9]=[O:10])(-[O:11])-[O:12].[N:1]-[C:2](=[O:3])-[N:4]-[N:5]	1	1734
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[C:10]>>[C:1]-[N:2]-[C:10].[C:3](=[O:4])(-[O:5]-[C:6](-[C:7])(-[C:8])-[C:9])-[O:15]-[N:14]=[C:13](-[C:12]#[N:11])-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1	1	1738
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]-1=[O:11]>>[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[O:13])-[O:12].[C:1]-[N:2]-[C:10](-[N:8]-[C:9])=[O:11]	1	1752
+[C:1]-[C:2]-[O:3]-[C:4](=[O:5])-[C:6]-[C:7](=[O:8])-[C:9]>>[O:3]-[C:4](=[O:5])-[C:6]-[C:11](=[O:10])-[O:12].[C:1]-[C:2]-[K:14].[C:7](-[O:8])(-[C:9])=[O:13]	1	1757
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]:[c:8]:[n:7]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:11](=[O:10])-[O:12].[C:5](-[c:6]:[c:8]:[n:7])=[O:9]	1	1766
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8]>>[C:1]-[C:2](=[O:3])-[O:4].[C:5](-[C:6])(-[C:7])(-[C:8])-[O:9]	1	1776
+[C:1](=[O:2])(-[c:3]:1:[c:4](-[C:5]):[c:6]:2:[c:7](:[n:8]:[c:9]:[n:10]:[c:11]:2):[n:12]:1-[C:13])-[O:14]>>[C:1](=[O:2])(-[C:3]#[C:4]-[C:5])-[O:14].[c:6]:1(:[c:7](:[n:8]:[c:9]:[n:10]:[c:11]:1)-[N:12]-[C:13])-[Br:15]	1	1782
+[c:1]:1:[n:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[c:7](-[C:8](=[O:9])-[O:14]):[c:10](-[C:11]):[n:12]:2-[C:13]>>[C:7](-[C:8](=[O:9])-[O:14])#[C:10]-[C:11].[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]:[n:6]:1)-[Br:15])-[N:12]-[C:13]	1	1784
+[C:1]-[C:2](-[C:3](-[O:5])=[O:6])-[C:4]>>[C:1]-[C:2](-[C:3](-[O:5])=[O:6])(-[C:4])-[C:9](-[O:8]-[C:7])=[O:10]	1	1785
+[C:1]=[C:2]-1-[C:3]-[C:4](-[C:5])-[N:6](-[C:7])-[C:8]-1=[O:9]>>[C:1]=[C:2](-[C:3]-[Br:12])-[C:8](=[O:9])-[O:11]-[C:10].[C:4](-[C:5])=[N:6]-[C:7]	1	1789
+[O:1]=[C:2](-[C:3](-[C:4]#[N:5])(-[C:6])-[C:7])-[O:8]>>[O:1]=[C:2](-[O:8])-[Cl:9].[C:3](-[C:4]#[N:5])(-[C:6])-[C:7]	1	1794
+[O:1]-[C:2](=[O:3])-[O:4]-[C:5](=[C:6]-[C:7])-[C:8]>>[O:1]-[C:2](=[O:3])-[Cl:9].[O:4]-[C:5](=[C:6]-[C:7])-[C:8]	1	1804
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1)-[O:8]>>[C:1](=[O:2])(-[O:8])-[Cl:9].[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1	1	1828
+[O:1]-[C:2](=[O:3])-[N:4](-[C:5](=[O:6])-[N:7])-[c:8]>>[O:1]-[C:2](=[O:3])-[Cl:9].[N:4](-[C:5](=[O:6])-[N:7])-[c:8]	1	1839
+[O:1]-[C:2](=[O:3])-[N:4]-[N:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N:4]-[N:5]	1	1842
+[C:1]=[C:2]-[C:3]-[O:4]-[C:5](=[O:6])-[O:7]>>[C:5](=[O:6])(-[O:7])-[Cl:8].[C:1]=[C:2]-[C:3]-[O:4]	1	1858
+[O:1]-[C:2](-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8])-[C:9]>>[O:1]-[C:2](-[C:9])-[O:13]-[C:11](-[C:10])=[O:12].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]	1	1867
+[c:1]:[c:2](-[C:3](-[C:4])=[O:6]):[s:5]>>[c:1]:[c:2](-[C:3](-[C:4])-[O:6]):[s:5]	1	1881
+[c:1]:1(:[c:2](:[c:3]):[c:5](:[c:4]):[n:6]:[c:7](:[c:8]):[c:10]:1:[c:9])-[Cl:11]>>[C:1](-[c:10](:[c:7](-[N:6]-[c:5](:[c:2]:[c:3]):[c:4]):[c:8]):[c:9])(=[O:16])-[O:17].[Cl:11]-[P:13](=[O:12])(-[Cl:14])-[Cl:15]	1	1913
+[C:1]-[O:2]-[C:3](=[N:4]-[C:5])-[C:6](=[O:7])-[c:8]:[c:10]:[c:9]>>[C:1]-[O:2]-[c:10](:[c:8]-[C:6](-[C:3]=[O:11])=[O:7]):[c:9].[N:4]-[C:5]	1	1914
+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[c:6](-[c:7]):[n:8]:[o:9]:1>>[n:1]:[c:2]:[c:3]-[C:4](=[O:10])-[O:11].[N:5]-[C:6](-[c:7])=[N:8]-[O:9]	1	1920
+[O:1]=[C:2](-[c:3]:[c:4]:[n:5])-[O:6]-[C:8](-[C:7])(-[C:9])-[C:10]>>[O:1]=[C:2](-[c:3]:[c:4]:[n:5])-[O:11].[O:6]-[C:8](-[C:7])(-[C:9])-[C:10]	1	1923
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[c:6](:[c:7]):[n:10]:[c:9]:[c:8]>>[c:6](:[c:7])(:[n:10]:[c:9]:[c:8])-[Cl:11].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]	1	1931
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[N:6](-[C:7])-[c:8]):[c:9]:[n:10]:1>>[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:11]):[c:9]:[n:10]:1.[N:6](-[C:7])-[c:8]	1	1946
+[s:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]>>[C:4](=[O:5])=[N:6]-[C:7].[s:1]:[c:2](-[N:3]):[c:8]	1	1953
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[n:8]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5]-[c:6](:[n:7]):[n:8]	1	1954
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5](-[C:6])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	1	1964
+[C:1]-[N:2]-[C:3](=[O:4])-[n:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:1>>[C:1]-[N:2]=[C:3]=[O:4].[n:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:1	1	1966
+[C:1]-[N:2]-[C:3](=[O:4])-[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[c:9]>>[C:1]-[N:2]=[C:3]=[O:4].[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[c:9]	1	1988
+[N:1](-[C:2])-[C:3](=[O:4])-[N:5](-[C:6])-[C:7](-[O:8]-[C:9](-[C:10])-[C:11])-[C:12]>>[N:1](-[C:2])=[C:3]=[O:4].[N:5]-[C:6].[C:7](=[O:8])-[C:12].[C:9](-[C:10])(-[C:11])-[O:13]	1	1998
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[C:6])-[C:7](-[O:8]-[C:9])-[C:10]>>[C:3](=[O:4])=[N:5]-[C:6].[C:7](-[C:10])=[O:11].[O:8]-[C:9].[C:1]-[N:2]	1	1999
+[O:1]=[C:2](-[N:3]-[C:4])-[N:5]-[C:6](=[O:7])-[C:8]>>[O:1]=[C:2]=[N:3]-[C:4].[N:5]-[C:6](=[O:7])-[C:8]	1	2000
+[O:1]=[C:2](-[C:3])-[N:5](-[C:4])-[C:6](=[O:7])-[N:8]-[C:9]>>[C:6](=[O:7])=[N:8]-[C:9].[O:1]=[C:2](-[C:3])-[N:5]-[C:4]	1	2001
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6]:[c:8]:[n:7])-[C:9]>>[C:3](=[O:4])=[N:5]-[c:6]:[c:8]:[n:7].[C:1]-[N:2]-[C:9]	1	2017
+[C:1]-[C:2]-[O:3]-[C:4]>>[O:3](-[C:4])-[Si:9](-[C:6](-[C:5])(-[C:7])-[C:8])(-[C:10])-[C:11].[C:1]-[C:2]=[O:12]	1	2030
+[C:1]-[C:2](-[O:3])-[c:4]:1:[c:5]:[c:6]:[c:7](:[s:8]:1):[c:9]>>[C:1]-[C:2]=[O:3].[c:4]:1:[c:5]:[c:6]:[c:7](:[s:8]:1):[c:9]	1	2037
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1-[C:9]):[c:7]>>[C:1]-[C:2]=[O:10].[N:3]-[c:4](:[c:5](:[c:6])-[N:8]-[C:9]):[c:7]	1	2047
+[N+:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:1>>[N+:1]-[C:2](-[C:3]=[O:11])-[C:10]=[O:12].[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1-[N:9]	1	2050
+[C:1]-[C:2](-[C:3]=[O:4])-[N:5]-[C:6]>>[C:1]-[C:2](-[C:3]=[O:4])-[Cl:7].[N:5]-[C:6]	1	2051
+[c:1]:1-[C:2]=[C:3](-[C:4]=[O:5])-[C:6](=[O:7])-[O:8]-[c:9]:1>>[c:1](-[C:2]=[O:13]):[c:9]-[O:8].[C:3](-[C:4]=[O:5])-[C:6](=[O:7])-[O:12]-[C:11]-[C:10]	1	2056
+[O:1]=[C:2]-[N:3]-[N:4]-[C:5](=[S:6])-[N:7]-[c:8]>>[C:5](=[S:6])=[N:7]-[c:8].[O:1]=[C:2]-[N:3]-[N:4]	1	2061
+[C:1](=[O:2])(-[c:3]:1:[n:4]:[c:5](-[C:6](=[O:7])-[O:11]):[c:8]:[s:9]:1)-[O:10]>>[C:5](-[C:6](=[O:7])-[O:11])(-[C:8]-[Br:13])=[O:12].[C:1](=[O:2])(-[C:3](-[N:4])=[S:9])-[O:10]	1	2068
+[C:1]-[C:2]=[C:3]-[C:4]-[N:5](-[C:6])-[C:7](=[O:8])-[O:9]>>[C:1]-[C:2]=[C:3]-[C:4]-[Br:10].[N:5](-[C:6])-[C:7](=[O:8])-[O:9]	1	2073
+[C:1]-[C:2]=[C:3]-[C:4]-[N:5]-[c:6]>>[C:1]-[C:2]=[C:3]-[C:4]-[Br:7].[N:5]-[c:6]	1	2074
+[C:1]-[C:2]=[C:3]-[C:4]-[N:5](-[C:6])-[c:7]>>[C:1]-[C:2]=[C:3]-[C:4]-[Br:8].[N:5](-[C:6])-[c:7]	1	2075
+[C:1]-[N:2](-[C:3]-[C:4]=[C:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10])-[C:11]>>[C:3](-[C:4]=[C:5]-[C:6](=[O:7])-[O:12])-[Br:13].[C:1]-[N:2]-[C:11].[N:8](-[C:9])-[C:10]	1	2084
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])(-[C:7]-[C:8])-[C:10]-[C:9]>>[C:7](-[C:8])-[Br:11].[C:9]-[C:10]-[Br:12].[O:1]-[C:2](=[O:3])-[C:4]-[C:5]#[N:6]	1	2091
+[c:1]-[C:2](-[C:3]-[C:4])-[S:5]>>[C:3](-[C:4])-[Br:6].[c:1]-[C:2]-[S:5]	1	2094
+[C:1]-[C:2](=[O:3])-[O:4]-[c:5]:[c:6]-[O:7]-[C:8](-[C:9])=[O:10]>>[O:4]-[c:5]:[c:6]-[O:7].[C:1]-[C:2](=[O:3])-[O:11]-[C:8](-[C:9])=[O:10]	1	2121
+[c:1]-[S:2]-[C:3]-[Cl:4]>>[C:3](-[Cl:4])-[Br:5].[c:1]-[S:2]	1	2130
+[O:1]=[S:2](=[O:3])(-[c:4])-[C:5]-[c:6]>>[C:5](-[c:6])-[Br:7].[O:1]=[S:2](-[O:3])-[c:4]	1	2150
+[C:1](-[c:2])=[O:3]>>[C:1](-[c:2])-[Br:4].[O:3]=[N+:8](-[C:6](-[C:5])-[C:7])-[O-:9]	1	2164
+[C:1]-[C:8](-[N:3](-[c:2])-[C:4]-[c:5](:[n:6]):[c:7])=[O:9]>>[C:4](-[c:5](:[n:6]):[c:7])-[Br:10].[C:1]-[C:8](-[N:3]-[c:2])=[O:9]	1	2170
+[C:1]-[C:2]#[C:3]-[C:4](-[O:5])-[C:6]>>[C:4](=[O:5])-[C:6].[C:1]-[C:2]#[C:3]	1	2176
+[O:1]-[C:2](-[C:3]#[C:4]-[C:5])-[O:6]>>[C:3]#[C:4]-[C:5].[O:1]-[C:2](-[O:6])-[O:9]-[C:8]-[C:7]	1	2179
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6]:[c:7]:[o:8]:1>>[C:1]-[C:2](=[O:3])-[O:9].[c:4]:1:[c:5]:[c:6]:[c:7]:[o:8]:1	1	2185
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[C:6]-[C:7](=[O:8])-[O:9])(-[C:10](=[O:11])-[O:12])-[C:13]-1>>[C:5](-[C:6]-[C:7](=[O:8])-[O:9])(-[C:10](=[O:11])-[O:12])=[C:13].[c:1]-[C:2]=[N:3]-[O:4]	1	2215
+[C:1]-[C:2](-[N:3]-[C:4]-[C:5](=[O:6])-[O:8])=[O:7]>>[N:3]-[C:4]-[C:5](=[O:6])-[O:8].[C:1]-[C:2](=[O:7])-[Br:9]	1	2218
+[c:1]:[c:5]:1:[n:4](:[c:3]:[c:2]):[c:9](:[c:7](:[n:6]:1)-[C:8])-[C:10]>>[C:7](-[C:8])(-[C:9](-[C:10])-[Br:12])=[O:11].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]	1	2222
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:2:[c:6]:1:[n:7]:[c:8](-[C:9]):[c:10]:2-[C:11]>>[C:8](-[C:9])(-[C:10](-[C:11])=[O:12])-[Br:13].[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:[c:6]:1-[N:7]	1	2223
+[C:1]-[c:2]:1:[c:3](-[C:4]):[n:5]:2:[n:6]:[c:7]:[c:8]:[c:9]:[c:10]:2:[n:11]:1>>[C:1]-[C:2](-[C:3](-[C:4])-[Br:13])=[O:12].[n:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:[c:10]:1-[N:11]	1	2224
+[c:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6](-[c:7]:[c:9]:[n:8]):[n:10]:1-[O:11]>>[C:4](-[C:5])(-[C:6](-[c:7]:[c:9]:[n:8])=[N:10]-[O:11])=[O:12].[N:3].[c:1]-[C:2]=[O:13]	1	2225
+[C:1]-[C:2](-[c:3]:1:[c:4]:[c:5](:[c:6](:[c:7]):[o:9]:1):[c:8])=[O:10]>>[C:1]-[C:2](-[C:3]-[Cl:11])=[O:10].[C:4](-[c:5](:[c:6](:[c:7])-[O:9]):[c:8])=[O:12]	1	2238
+[C:1]-[c:2]:1:[c:3]:[n:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2](-[C:3]-[Cl:12])=[O:11].[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1-[N:10]	1	2240
+[C:1]-[C:2](-[C:3]-[O:4]-[c:5]:[c:6]:[n:7])=[O:8]>>[C:1]-[C:2](-[C:3]-[Cl:9])=[O:8].[O:4]-[c:5]:[c:6]:[n:7]	1	2246
+[C:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[N:6]):[n:7]:1>>[C:1]-[C:2](-[C:3]-[Cl:9])=[O:8].[S:4]=[C:5](-[N:6])-[N:7]	1	2247
+[C:1]-[c:2]:1:[c:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[c:9]:1-[c:10]>>[C:1]-[C:2](-[C:3]-[Br:12])=[O:11].[n:4](:[c:5]:[c:6]):[c:8](:[c:7])-[C:9]-[c:10]	1	2253
+[C:1](=[O:2])(-[C:3]-[c:4]:1:[c:5]:[o:6]:[c:7](-[C:8]):[n:9]:1)-[O:10]>>[C:1](=[O:2])(-[C:3]-[C:4](-[C:5]-[Cl:12])=[O:11])-[O:10].[O:6]=[C:7](-[C:8])-[N:9]	1	2257
+[C:1]-[C:2](-[C:3]-[S:4]-[C:5])=[O:6]>>[C:1]-[C:2](-[C:3]-[Cl:7])=[O:6].[S:4]-[C:5]	1	2260
+[C:1](=[O:2])(-[C:3]-[c:4]:1:[c:5]:[n:6]:2:[n:7]:[c:8]:[s:9]:[c:10]:2:[n:11]:1)-[O:12]>>[C:1](=[O:2])(-[C:3]-[C:4](-[C:5]-[Cl:14])=[O:13])-[O:12].[n:6]:1:[n:7]:[c:8]:[s:9]:[c:10]:1-[N:11]	1	2264
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-1=[C:6](-[C:7])-[S:8]-[C:9]-2=[N:10]-[C:11](-[C:12])=[C:13]-[C:14](=[O:15])-[N:16]-1-2>>[C:11](-[C:12])(-[C:13]-[C:14](=[O:15])-[O:19]-[C:18]-[C:17])=[O:20].[O:1]-[C:2](=[O:3])-[C:4]-[c:5]:1:[c:6](-[C:7]):[s:8]:[c:9](-[N:10]):[n:16]:1	1	2266
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+[C:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6]-2-[C:7](-[C:8])=[C:9]-[C:10]=[C:11]-[C:12]-2=[N:13]-1>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:15]-[C:14])=[O:16].[n:6]:1:[c:7](-[C:8]):[c:9]:[c:10]:[c:11]:[c:12]:1-[N:13]	1	2789
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+[n:1]:[c:2]:[c:3](-[c:4](:[n:5]:[n:6]):[c:7]):[c:8]>>[n:1]:[c:2]:[c:3](:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:4](:[n:5]:[n:6])(:[c:7])-[Br:9]	1	2851
+[C:1]-[C:2]-[C:3]-[c:4](:[n:5]):[n:6]>>[C:1]-[C:2]#[C:3]-[c:4](:[n:5]):[n:6]	1	2852
+[c:1]:[c:3](:[c:2])-[S:4](=[O:5])(=[O:6])-[c:7]>>[c:1]:[c:3](:[c:2])-[I:8].[S:4](=[O:5])(-[O:6])-[c:7]	1	2855
+[C:1](-[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1)-[N:9](-[C:7])-[C:8]>>[C:1](=[N+:9]=[C:8]-[C:7])-[C:10].[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1	1	2864
+[C:1]-[C:2]-1=[C:3]-[C:4](=[C:5](-[C:6])-[C:7])-[C:8]=[C:9]-1>>[C:1]-[C:2]-1=[C:3]-[C:4]=[C:8]-[C:9]-1.[C:5](-[C:6])(-[C:7])=[O:10]	1	2868
+[c:1]-[C:2]=[C:3]-[c:4]>>[c:1]-[C:2](-[C:5]-[C:6])(-[O:7]-[P:8](=[O:9])-[O:10])-[C:13]-[C:12].[C:3](-[c:4])=[O:11]	1	2882
+[C:1]-[C:2](-[C:3])=[C:4]-1-[C:5]=[C:6]-[C:7]=[C:8]-1>>[C:1]-[C:2](-[C:3])=[O:9].[C:4]=1-[C:5]=[C:6]-[C:7]-[C:8]=1	1	2887
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[N:6]-[C:7](-[C:8])-[C:9]>>[C:7](-[C:8])(-[C:9])=[O:10].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[N:6]	1	2888
+[C:1]-[C:2](=[O:3])-[C:4](-[C:5])-[C:6]-[c:7]>>[C:1]-[C:2](=[O:3])-[C:4]-[C:5].[C:6](-[c:7])-[Br:8]	1	2889
+[C:1]-[C:2](-[N:3]-[c:4])-[c:5](:[c:6]):[s:7]>>[C:1]-[C:2](-[c:5](:[c:6]):[s:7])=[O:8].[N:3]-[c:4]	1	2890
+[c:1]:[c:2](-[C:3](-[C:4])-[C:5]):[n:6]:[c:7]:[c:8]>>[C:3](-[C:4])(-[C:5])-[Zn+:10].[c:1]:[c:2](:[n:6]:[c:7]:[c:8])-[Cl:9]	1	2913
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[s:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:8]:1)-[Br:9].[c:5](:[c:6])(:[c:7])-[Br:10]	1	2926
+[c:1]:[c:4]:1:[n:3](:[n:2]):[c:7](:[c:6]:[n:5]:1)-[c:8]:2:[c:9]:[c:10]:[c:11]:[s:12]:2>>[c:1]:[c:4]:1:[n:3](:[n:2]):[c:7]:[c:6]:[n:5]:1.[c:8]:1(:[c:9]:[c:10]:[c:11]:[s:12]:1)-[Br:13]	1	2927
+[c:1]:[c:4]:1:[c:3](:[c:2]):[n:9]:[c:8](:[n:5]:1-[C:6]-[C:7](=[O:10])-[O:11])-[Cl:12]>>[c:1]:[c:4]-1:[c:3](:[c:2])-[N:9]-[C:8](-[N:5]-1-[C:6]-[C:7](=[O:10])-[O:11])=[O:17].[Cl:12]-[P:14](=[O:13])(-[Cl:15])-[Cl:16]	1	2928
+[c:1]-[N:4](-[C:3](-[N:2])=[O:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]>>[c:1]-[N:4]-[C:3](-[N:2])=[O:5].[C:6]-[C:7](-[C:8])(-[C:9])-[O:10]-[C:11](=[O:12])-[O:20]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]	1	2934
+[C:1]-[O:2]-[C:3](=[O:4])-[Cl:5]>>[C:1]-[O:2].[C:3](-[O:4]-[C:7](-[Cl:8])(-[Cl:9])-[Cl:10])(-[Cl:5])=[O:6]	1	2944
+[C:1]-[C:2]-[C:3](-[C:4]#[N:5])-[c:6]>>[C:1]-[C:2]-[Br:7].[C:3](-[C:4]#[N:5])-[c:6]	1	2961
+[C:1]=[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]=[C:2]-[B:12](-[O:11]-[C:10]-[C:9]-[C:8]-[C:7])-[O:13]-[C:14]-[C:15]-[C:16]-[C:17].[c:3](:[c:4])(:[c:5])-[Br:6]	1	2966
+[c:1]:[c:2](-[C:3]=[C:15]):[n:4]:[n:5]>>[C:3](=[C:15])-[Sn:20](-[C:6]-[C:7]-[C:8]-[C:9])(-[C:10]-[C:11]-[C:12]-[C:13])-[C:19]-[C:18]-[C:17]-[C:16].[c:1]:[c:2](:[n:4]:[n:5])-[Cl:14]	1	2980
+[C:1]=[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]=[C:2]-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:8]	1	2982
+[C:1](-[c:2](:[c:3]):[c:5]:[c:4]:[n:6])=[C:7]>>[C:1](=[C:7])-[Sn:8](-[C:9]-[C:10]-[C:11]-[C:12])(-[C:13]-[C:14]-[C:15]-[C:16])-[C:21]-[C:20]-[C:19]-[C:18].[c:2](:[c:3])(:[c:5]:[c:4]:[n:6])-[Br:17]	1	2984
+[n:1]:[c:7](:[c:2]):[c:4](:[c:3])-[C:5]=[C:6]>>[C:5](=[C:6])-[Sn:21](-[C:8]-[C:9]-[C:10]-[C:11])(-[C:12]-[C:13]-[C:14]-[C:15])-[C:20]-[C:19]-[C:18]-[C:17].[n:1]:[c:7](:[c:2]):[c:4](:[c:3])-[Br:16]	1	2992
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[C:6]=[C:7]):[n:8]:1>>[C:6](=[C:7])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:8]:1)-[Cl:22]	1	2998
+[C:1]=[C:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]=[C:2]-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Br:9]	1	2999
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6](:[c:5]):[n:7]):[c:8]>>[c:3](:[c:4])(:[c:6](:[c:5]):[n:7])-[Br:9].[c:1]:[c:2](:[c:8])-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22]	1	3000
+[c:1](:[n:2]:[c:3](-[c:4]:1:[c:5]:[c:6]:[c:7]:[o:8]:1):[c:9]):[c:10]>>[c:1](:[n:2]:[c:3](:[c:9])-[Cl:24]):[c:10].[c:4]:1(:[c:5]:[c:6]:[c:7]:[o:8]:1)-[Sn:15](-[C:14]-[C:13]-[C:12]-[C:11])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23]	1	3005
+[c:1]:[c:3](:[c:2])-[c:4]:1:[c:5]:[c:6]:[c:7]:[o:8]:1>>[c:4]:1(:[c:5]:[c:6]:[c:7]:[o:8]:1)-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22].[c:1]:[c:3](:[c:2])-[Br:9]	1	3006
+[n:1]:[c:13]:1:[c:3](:[n:2]):[c:4](-[c:5]:2:[c:6]:[c:7]:[c:8]:[o:9]:2):[n:10]:[c:11]:[n:12]:1>>[c:5]:1(:[c:6]:[c:7]:[c:8]:[o:9]:1)-[Sn:15](-[C:14]-[C:27]-[C:26]-[C:25])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23].[n:1]:[c:13]:1:[c:3](:[n:2]):[c:4](:[n:10]:[c:11]:[n:12]:1)-[Cl:24]	1	3007
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[c:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1>>[c:6]:1(:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Sn:23](-[C:14]-[C:15]-[C:16]-[C:17])(-[C:22]-[C:21]-[C:20]-[C:19])-[C:24]-[C:25]-[C:12]-[C:13].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Cl:18]	1	3008
+[c:1](:[n:2]:[c:3](-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1):[c:10]):[c:11]>>[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Sn:25](-[C:12]-[C:13]-[C:14]-[C:15])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:24]-[C:23]-[C:22]-[C:21].[c:1](:[n:2]:[c:3](:[c:10])-[Br:20]):[c:11]	1	3009
+[c:1](:[c:2]):[n:10]:[c:4](:[c:3])-[c:5]:1:[c:6]:[c:7]:[n:8]:[s:9]:1>>[c:5]:1(:[c:6]:[c:7]:[n:8]:[s:9]:1)-[Sn:15](-[C:14]-[C:13]-[C:12]-[C:11])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23].[c:1](:[c:2]):[n:10]:[c:4](:[c:3])-[Cl:24]	1	3010
+[c:1]:[c:2]:[n:3]:[c:4](-[c:5]:1:[c:6]:[n:7]:[c:8]:[s:9]:1):[c:10]>>[c:5]:1(:[c:6]:[n:7]:[c:8]:[s:9]:1)-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[c:1]:[c:2]:[n:3]:[c:4](:[c:10])-[Br:11]	1	3011
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:1):[c:8]>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:1)-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22].[c:1]:[c:2](:[c:8])-[Br:9]	1	3012
+[c:1]:[c:3](:[c:2])-[c:4]:1:[c:5]:[c:6]:[c:7]:[s:8]:1>>[c:1]:[c:3](:[c:2])-[I:22].[c:4]:1(:[c:5]:[c:6]:[c:7]:[s:8]:1)-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21]	1	3013
+[N:1]-[C:2](=[O:3])-[C:4]-[c:7]:1:[c:6](-[c:5]):[n:12]:[c:11](:[c:8]:1:[c:9]):[c:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[C:7]-[C:6](-[c:5])=[O:14].[c:8](:[c:9]):[c:11](:[c:10])-[N:12]-[N:13]	1	3017
+[N:1]-[C:2](=[O:3])-[C:4]-[O:5]-[N:6]=[C:7]>>[N:1]-[C:2](=[O:3])-[C:4]-[Cl:8].[O:5]-[N:6]=[C:7]	1	3019
+[N:1]-[C:2](=[O:3])-[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[N:1]-[C:2](=[O:3])-[Cl:10].[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1	1	3022
+[c:1]:[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[c:7](-[O:8]):[c:9]:1:[c:10]>>[c:1]:[c:2](-[C:3]):[c:9](-[C:7](=[O:8])-[N:13](-[C:12]-[C:11])-[C:14]-[C:15]):[c:10].[C:4](-[C:5])#[N:6]	1	3025
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[N:6]):[s:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:8]):[s:7].[N:5]-[N:6]	1	3028
+[N:1]-[C:2](-[N:3])=[C:7](-[C:5](=[S:4])-[N:6])-[C:8]>>[N:1]-[C:2](-[N:3])=[C:7](-[C:5]#[N:6])-[C:8].[S:4]	1	3032
+[c:1]-[C:2](-[N:3])=[O:4]>>[N:3](-[C:6]-[C:5])(-[C:7]-[C:8])-[C:9]-[C:10].[c:1]-[C:2](=[O:4])-[O:11]	1	3039
+[N:1](-[c:2])(-[S:8](=[O:3])(-[C:7])=[O:9])-[S:11](-[C:10])(=[O:12])=[O:13]>>[C:4]-[C:17]-[N:16](-[C:5]-[C:10])-[C:15]-[C:14].[O:3]=[S:8](-[Cl:6])(-[C:7])=[O:9].[N:1]-[c:2]	1	3040
+[C:1](-[C:2]-[O:3]-[S:4](-[C:5])(=[O:6])=[O:7])-[O:8]-[S:9](-[C:10])(=[O:11])=[O:12]>>[C:10]-[C:18]-[N:15](-[C:14]-[C:13])-[C:16]-[C:17].[S:4](-[C:5])(=[O:6])(=[O:7])-[Cl:19].[C:1](-[C:2]-[O:3])-[O:8]	1	3041
+[C:1]-[C:2](-[S:3]-[C:4])-[S:6]-[C:5]>>[S:3]-[C:4].[C:5]-[S:6].[C:1]-[C:2]=[O:7]	1	3043
+[C:1]#[C:2]-[C:3]-[O:4]-[C:5](=[O:6])-[C:7]>>[C:1]#[C:2]-[C:3]-[O:4].[C:5](=[O:6])(-[C:7])-[O:8]	1	3045
+[c:1]-[C:2](=[S:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[S:3])-[N:6].[N:4]-[C:5]	1	3047
+[c:1]-[C:2](-[C:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[N:7](-[O:6]-[C:5])-[C:8].[C:3]-[Mg:10]-[Cl:9]	1	3077
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]>>[c:1]:[c:2](-[C:3]=[O:6]):[n:5].[N:4]-[O:7]	1	3084
+[s:1]:[c:2](-[N:3]=[C:4]-[c:5](:[c:6]):[s:7]):[c:8]>>[s:1]:[c:2](-[N:3]):[c:8].[C:4](-[c:5](:[c:6]):[s:7])=[O:9]	1	3085
+[N:1]-1-[C:2]=[C:3]-[N:4]=[C:5](-[c:6](:[c:7]):[c:8])-[C:9]-1=[O:10]>>[N:1]-1-[C:2]=[C:3]-[N:4]=[C:5](-[C:9]-1=[O:10])-[Br:11].[c:6](:[c:7])(:[c:8])-[B:13](-[O:12])-[O:14]	1	3091
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]-[C:6]-[C:7]-[O:8]-[c:9]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5]-[C:6]-[C:7]-[Cl:10])-[Br:11].[O:8]-[c:9]	1	3093
+[C:1]-[N:2](-[C:3])-[C:4]-[c:5]:1:[c:6]:[n:7]:[c:8]:[n:9]:1>>[C:1]-[N:2]-[C:3].[C:4]=[O:10].[c:5]:1:[c:6]:[n:7]:[c:8]:[n:9]:1	1	3100
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5]-[N:6]=[C:7]-2-[c:8](:[c:9](:[c:10])-[N:12]=[C:13]-[N:14]-2-[C:15]-1=[O:16]):[c:11]>>[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[N:6]-[c:7]:1:[c:8](:[c:9](:[c:10]):[n:12]:[c:13]:[n:14]:1):[c:11])-[C:15](=[O:16])-[O:19]-[C:18]-[C:17]	1	3155
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5]-[c:6])-[C:7](=[O:8])-[O:9]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:7](=[O:8])-[O:9])-[Br:10].[O:5]-[c:6]	1	3156
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7](:[c:8]):[o:10]:1):[c:9]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:14](-[O:13]-[C:12]-[C:11])=[O:15])-[Br:16].[C:5](-[c:6](:[c:7](:[c:8])-[O:10]):[c:9])=[O:17]	1	3157
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[O:14]):[c:6](-[O:7]):[c:8]:2:[c:9]:[c:10]:[n:11]:[c:12]:[c:13]:1:2>>[N:1](-[C:2]=[C:3](-[C:4](=[O:5])-[O:14])-[C:6](=[O:7])-[O:17]-[C:16]-[C:15])-[c:13]:1:[c:8]:[c:9]:[c:10]:[n:11]:[c:12]:1	1	3161
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:[c:11]:1)-[Cl:12]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[O:15]-[C:14]-[C:13])=[O:16])=[C:11]-[N:10]-[c:9](:[c:6]:[c:7]):[c:8].[Cl:12]-[P:18](=[O:17])(-[Cl:19])-[Cl:20]	1	3162
+[c:1]:1(:[c:2]:[c:3](-[C:4](=[O:5])-[O:6]):[n:7]:[n:8]:1-[c:9])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17]>>[C:1]-1(-[C:2]-[C:3](-[C:4](=[O:5])-[O:6])=[N:7]-[N:8]-1-[c:9])=[O:13].[O:10]=[S:11](=[O:12])(-[C:14](-[F:15])(-[F:16])-[F:17])-[N:21](-[S:19](=[O:18])(=[O:20])-[C:28](-[F:29])(-[F:30])-[F:31])-[c:22]:1:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:1	1	3165
+[c:1]-[N:2]-[C:3]-1=[C:4](-[C:5])-[C:6](=[O:7])-[N:8]-[C:9](-[C:10])=[C:11]-1-[C:12](=[O:13])-[O:14]>>[C:3]-1(=[C:4](-[C:5])-[C:6](=[O:7])-[N:8]-[C:9](-[C:10])=[C:11]-1-[C:12](=[O:13])-[O:14])-[Cl:15].[c:1]-[N:2]	1	3166
+[C:1](=[C:2])-[C:6](=[C:4](-[N:3])-[C:5])-[C:7](=[O:8])-[N:9]-[O:10]>>[N:9]-[O:10].[C:1](=[C:2])-[C:6](=[C:4](-[N:3])-[C:5])-[C:7](=[O:8])-[O:13]-[C:12]-[C:11]	1	3168
+[c:1]-[C:2]-1-[C:3]-[C:4](=[O:5])-[C:6]=[C:7](-[O:8])-[C:9]-1>>[C:7](=[O:8])(-[C:9]-[C:13](-[O:12]-[C:11]-[C:10])=[O:14])-[O:15]-[C:16]-[C:17].[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[C:6]	1	3178
+[c:1]-[C:2]-1-[C:3]-[C:4](=[O:5])-[C:6]-[C:7](-[C:8]-1)=[O:10]>>[C:7](-[C:8]-[C:14](-[O:13]-[C:12]-[C:11])=[O:15])(=[O:10])-[O:16]-[C:17]-[C:9].[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[C:6]	1	3179
+[c:1]:1:[n:2]:[c:3]:2:[c:4](:[c:5]:[c:6](-[C:7](=[O:8])-[O:14]):[c:9](-[O:10]):[n:11]:2):[c:12]:[n:13]:1>>[C:6](-[C:7](=[O:8])-[O:14])-[C:9](=[O:10])-[O:17]-[C:16]-[C:15].[c:1]:1:[n:2]:[c:3](:[c:4](-[C:5]=[O:18]):[c:12]:[n:13]:1)-[N:11]	1	3180
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+[C:1]-[C:2]-[C:3](-[C:4](=[O:5])-[O:6])-[C:8](-[O:7])=[O:9]>>[C:3](-[C:4](=[O:5])-[O:6])-[C:8](-[O:7])=[O:9].[C:1]-[C:2]-[O:14]-[S:11](-[C:10])(=[O:12])=[O:13]	1	3187
+[c:1]:[c:2](-[C:3](-[C:4](=[O:5])-[O:8])-[C:10](-[O:9])=[O:11]):[c:6]:[n:7]>>[C:3](-[C:4](=[O:5])-[O:8])-[C:10](-[O:9])=[O:11].[c:1]:[c:2](:[c:6]:[n:7])-[Br:12]	1	3189
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[O:8]>>[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[O:8])-[O:11]-[C:10]-[C:9].[c:1]-[N:2]	1	3190
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5]-[C:6](=[C:7](-[C:8](-[N:9])=[O:15])-[N:11](-[C:12])-[C:13]-1=[O:14])-[C:10]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:13](=[O:14])-[O:18]-[C:17]-[C:16].[C:5](-[C:6](=[C:7](-[C:8](-[N:9])=[O:15])-[N:11]-[C:12])-[C:10])=[O:19]	1	3198
+[C:1]-1=[C:2](-[O:3])-[C:4]-[C:5](-[c:6])-[C:7]-[C:8]-1=[O:9]>>[C:7](-[C:8](=[O:9])-[O:15]-[C:16]-[C:17])-[C:13](-[O:12]-[C:11]-[C:10])=[O:14].[C:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]	1	3200
+[n:1]:1(:[n:2]:[c:3](-[O:4]-[C:5]):[c:6](:[c:7]):[c:9]:1:[c:8])-[C:10](=[O:11])-[O:13]>>[N:1]-1(-[N:2]-[C:3](=[O:4])-[c:6](:[c:7]):[c:9]-1:[c:8])-[C:10](=[O:11])-[O:13].[C:5]-[I:12]	1	3211
+[c:1]:1:[c:2]:[c:3]:[c:4]:[s:5]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:5]:1)-[N:6]	1	3220
+[c:1]:[c:2]:1:[n:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[F:8]):[c:9](-[C:10]):[n:11]:1:[c:12]:[c:13]>>[c:1]:[c:2](-[N:3]):[n:11]:[c:12]:[c:13].[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])(-[C:9](-[C:10])-[Br:15])=[O:14]	1	3232
+[C:1](-[N:2]-[C:3](=[O:4])-[N:5]-[c:6])-[C:7](=[O:8])-[N:9]>>[N:5]-[c:6].[C:1](-[N:2])-[C:7](=[O:8])-[N:9].[C:3](=[O:4])(-[O:14]-[C:11](-[Cl:10])(-[Cl:12])-[Cl:13])-[O:15]-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19]	1	3249
+[c:1]-[C:2](-[C:5]-[C:3]#[N:4])=[O:6]>>[c:1]-[C:2](=[O:6])-[O:9]-[C:8]-[C:7].[C:3](#[N:4])-[C:5]	1	3252
+[n:1]:1:[c:2]:[c:3]:[c:4](-[S:5]-[c:6]):[c:7]:1>>[S:5]-[c:6].[n:1]:1:[c:2]:[c:3]:[c:4]:[c:7]:1	1	3253
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[Cl:6]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1.[Cl:6]-[C:8]-[Cl:7]	1	3272
+[C:1]-1(=[C:2](-[C:3])-[C:4](=[O:5])-[N:6]-[C:7](-[C:8])=[C:9]-1-[C:10](=[O:11])-[O:12])-[Cl:13]>>[C:1]-1(=[C:2](-[C:3])-[C:4](=[O:5])-[N:6]-[C:7](-[C:8])=[C:9]-1-[C:10](=[O:11])-[O:12])-[O:18].[Cl:13]-[P:15](=[O:14])(-[Cl:16])-[Cl:17]	1	3289
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6](=[O:7])-[O:11]):[c:8](-[C:9]):[n:10]:1>>[C:1]-[C:2](=[N:3])-[N:10].[C:4](=[C:5](-[C:6](=[O:7])-[O:11])-[C:8](-[C:9])=[O:15])-[N:13](-[C:12])-[C:14]	1	3305
+[O:1]-[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6]:2:[c:7]:1:[c:8]:[c:9]:[n:10]:2>>[O:1]=[C:2](-[c:7]:1:[c:6](-[N:5]):[n:10]:[c:9]:[c:8]:1)-[O:13]-[C:12]-[C:11].[N:3]-[C:4]=[N:14]	1	3329
+[C:1](-[c:2]:[c:3]:[o:4])-[O:5]>>[C:1](-[c:2]:[c:3]:[o:4])(=[O:5])-[O:8]-[C:7]-[C:6]	1	3345
+[C:1]-[S:2](=[O:3])(=[O:4])-[C:5]>>[C:1]-[S:2]-[C:5].[O:3]=[C:12](-[O:6])-[O:11].[O:4]-[O:10]-[S:8](=[O:7])-[O:9]	1	3357
+[c:1]:1:[c:2]:[c:3](-[C:4](-[C:5])-[C:6]):[c:7]:[n:8]:1>>[c:1]:1:[c:2]:[c:3]:[c:7]:[n:8]:1.[C:4](-[C:5])(-[C:6])=[O:9]	1	3358
+[n:1]:[c:2]:[c:3]-[C:4]-[O:5]-[C:6]>>[n:1]:[c:2]:[c:3]-[C:4]-[Br:7].[O:5]-[C:6]	1	3400
+[c:1]:[c:2]:1-[N:3]=[C:4](-[n:5](:[c:6]:[c:7]):[n:8])-[N:9](-[C:10]-[O:11])-[C:12](=[O:13])-[c:14]:1:[c:15]>>[c:1]:[c:2]:1:[n:3]:[c:4](-[n:5](:[c:6]:[c:7]):[n:8]):[n:9]:[c:12](-[O:13]):[c:14]:1:[c:15].[C:10](-[O:11])-[Cl:16]	1	3414
+[c:1](-[C:2]=[O:3]):[c:4]:[n:5]>>[c:1](-[C:2]=[C:6]):[c:4]:[n:5].[O:3]	1	3432
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7](:[c:8]):[n:9]:1>>[c:1]:1:[n:2]:[c:3](:[c:7](:[c:8]):[n:9]:1)-[Br:10].[c:4](:[c:5])(:[c:6])-[B:12](-[O:11])-[O:13]	1	3434
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[c:8]):[n:9]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:12]-[C:11]-[C:10]):[n:9].[N:5]-[c:6](:[n:7]):[c:8]	1	3435
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:6]:1:[c:5]>>[n:1]:1(:[n:2]:[c:3]:[c:4]:[c:6]:1:[c:5])-[C:7](=[O:8])-[O:11]-[C:10]-[C:9]	1	3456
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]>>[C:1]-[C:2](-[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[Cl:13])=[O:12].[N:10]-[C:11]	1	3457
+[O:1]-[C:2](-[C:3](=[O:6])-[O:7])=[C:4]-[c:5]>>[O:1]-[C:2]-[C:3](=[O:6])-[O:7].[C:4](-[c:5])=[O:8]	1	3458
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[C:11]-[C:12]#[C:13]>>[C:1]-[C:2](-[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[C:11]-[C:12]#[C:13])=[O:14]	1	3459
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[C:1]-[C:2]#[C:3].[C:4](-[C:5])(=[N:6]-[O:7])-[Cl:8]	1	3460
+[n:1]:[c:4]:1:[c:3](:[n:2]):[c:12]:[n:11]:[c:6]-2:[c:5]:1-[C:10]-[C:9]-[C:8]-[C:7]-2>>[n:1]:[c:4]:1:[c:3](:[n:2]):[c:12]:[n:11]:[c:6]:2:[c:5]:1:[c:10]:[c:9]:[c:8]:[c:7]:2	1	3463
+[N:1]-[C:2](=[O:3])-[C:4]=[C:5]-[C:6]>>[N:1]-[C:2](=[O:3])-[C:4]-[P:10](-[O:9]-[C:8]-[C:7])(=[O:11])-[O:12]-[C:13]-[C:14].[C:5](-[C:6])(-[O:17]-[C:16]-[C:15])-[O:18]-[C:19]-[C:20]	1	3464
+[c:1]-[C:2]=[C:3]-[C:4]=[C:5]-[C:6]>>[C:3](-[C:4]=[C:5]-[C:6])-[P:10](-[O:9]-[C:8]-[C:7])(=[O:11])-[O:12]-[C:13]-[C:14].[c:1]-[C:2]=[O:15]	1	3465
+[n:1]:[c:2](-[N:3]):[n:4]>>[n:1]:[c:2](-[N:3]-[C:6]=[O:5]):[n:4]	1	3470
+[C:1](-[C:2]-[C:3]-[c:4])(=[O:5])-[O:10]>>[C:1](-[C:2]-[P:14](-[O:6]-[C:7]-[C:8])(-[O:13]-[C:12]-[C:11])=[O:15])(=[O:5])-[O:10].[C:3](-[c:4])=[O:9]	1	3490
+[c:1]-[C:2](=[C:3]-[C:4](=[O:6])-[O:7])-[c:5]>>[C:3](-[C:4](=[O:6])-[O:7])-[P:11](-[O:10]-[C:9]-[C:8])(=[O:12])-[O:13]-[C:14]-[C:15].[c:1]-[C:2](-[c:5])=[O:16]	1	3500
+[C:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[C:2]-[Sn:9](-[C:8]-[C:7])(-[C:10]-[C:11])-[C:12]-[C:13].[c:3](:[c:4])(:[c:5])-[Br:6]	1	3519
+[C:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[C:2]-[Zn:9]-[C:8]-[C:7].[c:3](:[c:4])(:[c:5])-[Br:6]	1	3521
+[C:1]-[C:2]-[c:3](:[n:4]:[c:5](:[c:6]):[c:7]):[c:8]>>[C:1]-[C:2]-[Zn:11]-[C:10]-[C:9].[c:3](:[n:4]:[c:5](:[c:6]):[c:7])(:[c:8])-[Cl:12]	1	3523
+[c:1]-[C:2](=[O:3])-[O:4]>>[c:1]-[C:2]#[N:6].[O:3]-[C:5].[O:4]	1	3530
+[c:1]:1:[n:2]:[n:3]:[c:4]:2-[C:5](-[N:6]-[c:7](:[c:8]):[c:10](:[c:9])-[n:11]:1:2)=[O:12]>>[c:1]:1:[n:2]:[n:3]:[c:4]:2:[c:5](:[n:6]:[c:7](:[c:8]):[c:10](:[c:9]):[n:11]:1:2)-[O:12]-[C:13]	1	3546
+[N:1]-[C:2](=[N:3]-[C:4]#[N:5])-[C:6]=[C:7]-[C:8]>>[N:1]-[C:2](-[C:6]=[C:7]-[C:8])=[S:9].[N:3]-[C:4]#[N:5]	1	3552
+[C:1]-[N:3](-[C:2])-[c:4]:1:[n:5]:[c:6]:[n:7]:[c:8](-[c:9](:[c:10]):[c:11]):[c:12]:1>>[C:1]-[N:3]-[C:2].[c:9](:[c:10])(:[c:11])-[B:16](-[O:15])-[O:17].[c:4]:1(:[n:5]:[c:6]:[n:7]:[c:8](:[c:12]:1)-[Cl:14])-[Cl:13]	1	3569
+[c:1]-[S:2](=[O:3])(=[O:4])-[C:5]-[C:6]>>[C:5](-[C:6])-[O:8].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:7]	1	3579
+[C:1](-[C:2]-[N:3]-[c:4]:1:[c:5](:[n:6]):[c:8](:[n:7]):[n:9]:[c:10]:[c:11]:1)=[C:12]>>[C:1](-[C:2]-[N:3])=[C:12].[c:4]:1(:[c:5](:[n:6]):[c:8](:[n:7]):[n:9]:[c:10]:[c:11]:1)-[Cl:13]	1	3582
+[C:1]=[C:2]-[C:3]-[C:4]#[C:5]-[C:6]>>[C:1]=[C:2]-[C:3]-[Br:7].[C:4]#[C:5]-[C:6]	1	3585
+[C:1](=[O:2])-[O:3]-[C:6]-[C:5]=[C:4]>>[C:1](=[O:2])-[O:3].[C:4]=[C:5]-[C:6]-[Br:7]	1	3586
+[C:1]=[C:2]-[C:3]-[N:4]-1-[C:5](=[O:6])-[C:7]=[C:8]-[c:9](:[c:10]):[c:12]-1:[c:11]>>[n:4]:1:[c:5](-[O:6]):[c:7]:[c:8]:[c:9](:[c:10]):[c:12]:1:[c:11].[C:1]=[C:2]-[C:3]-[Br:13]	1	3587
+[C:1]=[C:2]-[C:3]-[S:4]-[c:5]>>[S:4]-[c:5].[C:1]=[C:2]-[C:3]-[Br:6]	1	3589
+[C:1]=[C:2]-[C:3]-[O:4]-[C:5](=[O:6])-[C:7]=[C:8]>>[C:1]=[C:2]-[C:3]-[Br:9].[O:4]-[C:5](=[O:6])-[C:7]=[C:8]	1	3591
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5]-[C:6]=[C:9])(-[C:7])-[C:8]>>[C:5](-[C:6]=[C:9])-[Br:10].[O:1]-[C:2](=[O:3])-[C:4](-[C:7])-[C:8]	1	3593
+[C:1]-[C:2](=[O:3])-[O:4]-[C:7]-[C:6]=[C:5]>>[C:5]=[C:6]-[C:7]-[Br:8].[C:1]-[C:2](=[O:3])-[O:4]	1	3600
+[C:1]=[C:2]-[C:3]-[N:4]-[c:5]:[c:7]:[n:6]>>[C:1]=[C:2]-[C:3]-[Br:8].[N:4]-[c:5]:[c:7]:[n:6]	1	3606
+[C:1]=[C:2]-[C:3]-[N:4]-1-[C:5](=[O:6])-[N:7]-[C:8]-[C:9]=[C:10]-1-[C:11]>>[C:1]=[C:2]-[C:3]-[Br:12].[N:4]-1-[C:5](=[O:6])-[N:7]-[C:8]-[C:9]=[C:10]-1-[C:11]	1	3613
+[C:1]=[C:2]-[C:3]-[N:4](-[C:5])-[c:6](:[n:7]):[c:8]>>[C:1]=[C:2]-[C:3]-[Br:9].[N:4](-[C:5])-[c:6](:[n:7]):[c:8]	1	3614
+[C:1]=[C:2]-[C:3]-[N:4]-[c:5]>>[C:1]=[C:2]-[C:3]-[Br:6].[N:4]-[c:5]	1	3616
+[C:1]=[C:2]-[C:3]-[n:4]:1:[n:5]:[c:6](:[c:7]):[c:8]:[c:9]:1>>[C:1]=[C:2]-[C:3]-[Br:10].[n:4]:1:[n:5]:[c:6](:[c:7]):[c:8]:[c:9]:1	1	3622
+[C:1]=[C:2]-[C:3]-[n:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1:[c:9]>>[C:1]=[C:2]-[C:3]-[Br:10].[n:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1:[c:9]	1	3626
+[C:1]=[C:2]-[C:3]-[n:4]:1:[c:5]:[c:6]:[c:7]:[c:10]:1:[c:9]:[n:8]>>[C:1]=[C:2]-[C:3]-[Br:11].[n:4]:1:[c:5]:[c:6]:[c:7]:[c:10]:1:[c:9]:[n:8]	1	3628
+[C:1](-[C:2]-[C:3](-[O:4])-[C:5])=[C:6]>>[C:1](-[C:2]-[Br:7])=[C:6].[C:3](=[O:4])-[C:5]	1	3636
+[C:1]=[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]=[C:2]-[C:3]-[Br:7].[c:4](:[c:5]):[c:6]	1	3640
+[C:1]-[C:2]-[Br:3]>>[Br:3]-[C:6]-[C:5]=[C:4].[C:1]-[C:2]-[O:7]	1	3642
+[C:1]=[C:2]-[C:3]-[C:4](-[C:5])-[C:6](=[O:7])-[N:8]>>[C:1]=[C:2]-[C:3]-[Br:9].[C:4](-[C:5])-[C:6](=[O:7])-[N:8]	1	3649
+[C:1]=[C:2]-[C:3]-[O:4]-[C:5]-[C:6]=[C:7]>>[C:1]=[C:2]-[C:3]-[Br:8].[O:4]-[C:5]-[C:6]=[C:7]	1	3651
+[c:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[C:6]=[C:7]>>[c:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[C:6]=[C:7])-[Cl:8]	1	3657
+[C:1]-[C:2]=[C:3]-[C:4]-[S:5](=[O:6])(=[O:7])-[c:8]>>[C:1]-[C:2]=[C:3]-[C:4]-[Br:9].[S:5](=[O:6])(-[O:7])-[c:8]	1	3658
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[O:12]):[c:7](:[c:8]):[n:11]:1:[c:10]:[c:9]>>[C:4](-[C:5](=[O:6])-[O:12])-[c:7](:[c:8]):[n:11]:[c:10]:[c:9].[C:1]-[C:2](-[C:3]=[O:13])-[Br:14]	1	3674
+[c:1]-[c:2]:1:[n:3]:[n:4]:2:[c:5](-[C:6]):[c:7]:[n:8]:[c:9]:2:[n:10]:[c:11]:1>>[C:5](-[C:6])(-[C:11]=[O:12])-[Cl:13].[c:1]-[c:2]:1:[n:3]:[n:4]:[c:9](:[n:8]:[c:7]:1)-[N:10]	1	3675
+[c:1]:[c:2](-[C:3]-[C:4](-[Cl:5])-[C:6]=[O:7]):[c:8]>>[C:3]=[C:4]-[C:6]=[O:7].[Cl:5].[c:1]:[c:2](:[c:8])-[N:9]	1	3676
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:[c:7]:1:[c:8]>>[C:4](-[C:5]=[C:6])=[O:9].[c:1]:[c:2](-[N:3]):[c:7]:[c:8]	1	3677
+[n:1]:[c:2]:[c:3]-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1>>[C:8]=[O:9].[C:5](-[C:6]=[O:11])=[O:10].[n:1]:[c:2]:[c:3]-[N:4].[N:7]	1	3678
+[c:1]-[n:2]:1:[c:3]:[c:4]:[n:5]:[c:6]:1>>[C:4]=[O:7].[C:3](-[C:6]=[O:9])=[O:8].[N:5].[c:1]-[N:2]	1	3680
+[c:1]:1:[c:2]:[c:3]:2:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:2:[c:9]:[n:10]:1>>[C:5](-[C:6]=[O:12])=[O:11].[c:1]:1:[c:2]:[c:3](-[N:4]):[c:8](-[N:7]):[c:9]:[n:10]:1	1	3683
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]=[C:9]-1-[N:10]-[C:11](=[O:12])-[N:13](-[C:14]-[C:15])-[C:16]=[C:17]-1>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[c:9]:1:[n:10]:[c:11](-[O:12]):[n:13]:[c:16]:[c:17]:1.[C:14](-[C:15])-[Br:18]	1	3692
+[C:1]-[C:2]-[N:3]-1-[C:4]=[C:5]-[C:6](-[N:7]-[C:8](=[O:9])-[C:10])=[C:11]-[C:12]-1=[O:13]>>[C:1]-[C:2]-[Br:14].[n:3]:1:[c:4]:[c:5]:[c:6](-[N:7]-[C:8](=[O:9])-[C:10]):[c:11]:[c:12]:1-[O:13]	1	3693
+[C:1]=[C:2]-[C:3]-[C:4](-[C:5](=[O:6])-[C:7])-[c:8]>>[C:1]=[C:2]-[C:3]-[Br:9].[C:4](-[C:5](=[O:6])-[C:7])-[c:8]	1	3696
+[C:1](-[C:2]-[C:3]-[O:4]-[c:5])(=[O:6])-[O:7]>>[C:1](-[C:2]-[C:3]-[Br:8])(=[O:6])-[O:7].[O:4]-[c:5]	1	3699
+[c:1]-[O:2]-[C:3]-[C:4]-[C:5]-[C:6]-[N:7](-[C:8])-[C:9]>>[N:7](-[C:8])-[C:9].[C:3](-[C:4]-[C:5]-[C:6]-[Cl:10])-[Br:11].[c:1]-[O:2]	1	3703
+[c:1]:1:[c:2](:[c:3]):[n:4](-[C:5]-[C:6]):[n:7]:[n:8]:1>>[C:5](-[C:6])-[Br:9].[c:1]:1:[c:2](:[c:3]):[n:4]:[n:7]:[n:8]:1	1	3709
+[O:1]-[C:2](=[O:3])-[C:4]-1(-[c:5]:[c:7]:[n:6])-[C:8]-[C:9]-1>>[O:1]-[C:2](=[O:3])-[C:4]-[c:5]:[c:7]:[n:6].[C:8](-[C:9]-[Br:11])-[Cl:10]	1	3713
+[N:1]-1-[C:2]=[C:3]-[N:4]=[C:5](-[N:6]-[C:7])-[C:12]-1=[O:13].[c:8]-[O:9]-[C:10]-[C:11]>>[C:10](-[C:11])-[Br:14].[N:1]-1-[C:2]=[C:3]-[N:4]-[C:5](=[N:6]-[C:7])-[C:12]-1=[O:13].[c:8]-[O:9]	1	3717
+[N:1]-1-[C:2]=[C:3]-[N:4]-[C:5](=[N:6]-[C:7])-[C:12]-1=[O:13].[c:8]-[O:9]-[C:10]-[C:11]>>[C:10](-[C:11])-[Br:14].[N:1]-1-[C:2]=[C:3]-[N:4]=[C:5](-[N:6]-[C:7])-[C:12]-1=[O:13].[c:8]-[O:9]	1	3718
+[N:1]-[C:2](=[O:3])-[C:4]-1(-[C:5]-[C:6]-1)-[c:7]>>[C:5](-[C:6]-[Cl:8])-[Br:9].[N:1]-[C:2](=[O:3])-[C:4]-[c:7]	1	3724
+[N:1]#[C:2]-[C:3]-1(-[c:4](:[n:5]):[c:6])-[C:7]-[C:8]-1>>[C:7](-[C:8]-[Br:10])-[Cl:9].[N:1]#[C:2]-[C:3]-[c:4](:[n:5]):[c:6]	1	3725
+[C:1]-[C:2]-[O:3]-[N:4](-[C:5]=[O:6])-[C:7]=[O:8]>>[C:1]-[C:2]-[Br:9].[O:3]-[N:4](-[C:5]=[O:6])-[C:7]=[O:8]	1	3729
+[n:1]:[c:2](-[C:3]-1(-[C:4]#[N:5])-[C:6]-[C:7]-1):[n:8]>>[C:6](-[C:7]-[Br:10])-[Cl:9].[n:1]:[c:2](-[C:3]-[C:4]#[N:5]):[n:8]	1	3741
+[c:1]-[C:2]-1=[N:3]-[C:4]-[C:5]-[O:6]-1>>[N:3]-[C:4]-[C:5]-[Br:7].[c:1]-[C:2](=[O:6])-[Cl:8]	1	3743
+[O:1]=[C:2]-[C:4](-[C:3])(-[C:5]-[C:6])-[C:8]-[C:7]>>[O:1]=[C:2]-[C:4]-[C:3].[C:5](-[C:6])-[Br:9].[C:7]-[C:8]-[Br:10]	1	3745
+[c:1]:1:[c:2]:2-[C:3](=[O:4])-[N:5](-[C:6]-[C:7])-[C:8]=[C:9]-[c:10]:2:[c:11]:[c:12]:[n:13]:1>>[C:6](-[C:7])-[Br:14].[c:1]:1:[c:2]:2:[c:3](-[O:4]):[n:5]:[c:8]:[c:9]:[c:10]:2:[c:11]:[c:12]:[n:13]:1	1	3754
+[C:1]-[C:2]-[N:3]-1-[C:4]=[C:5](-[C:6]=[C:7]-[C:8]-1=[O:9])-[Br:10]>>[C:1]-[C:2]-[Br:11].[n:3]:1:[c:4]:[c:5](:[c:6]:[c:7]:[c:8]:1-[O:9])-[Br:10]	1	3775
+[N:1]-[C:8](-[C:4](=[C:3]-[C:2])-[O:5]-[C:6]-[C:7])=[O:9]>>[C:6](-[C:7])-[Br:10].[N:1]-[C:8](-[C:4](=[C:3]-[C:2])-[O:5])=[O:9]	1	3778
+[C:1]-[C:2]-[O:3]-[c:4]:1:[n:5]:[o:6]:[c:7](-[c:8]):[c:9]:1>>[C:1]-[C:2]-[O:10].[O:3]=[C:4]-1-[N:5]-[O:6]-[C:7](-[c:8])=[C:9]-1	1	3787
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[c:7](-[N:8]):[n:9]:1>>[C:1]-[C:2](-[C:3]-[C:4](-[C:5])=[O:10])=[O:11].[N:6]=[C:7](-[N:8])-[N:9]	1	3794
+[C:1]-[C:2]#[C:3]-[c:4]:1:[c:5]:[n:6]:[c:7](:[c:8]:1:[c:9]:[n:10]):[n:11]>>[C:1]-[C:2]#[C:3].[c:4]:1(:[c:5]:[n:6]:[c:7](:[c:8]:1:[c:9]:[n:10]):[n:11])-[I:12]	1	3801
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:7](:[c:6])-[N:8])-[I:9]	1	3802
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8])-[O:10]-[C:9]	1	3820
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:11]-[C:9](-[C:8]-[C:7]-[C:6])=[O:10].[N:4]-[c:5]	1	3838
+[C:1](-[C:2](=[O:3])-[O:4])-[N:5](-[C:6])-[C:7](=[O:8])-[C:9]>>[C:1](-[C:2](=[O:3])-[O:4])-[N:5]-[C:7](=[O:8])-[C:9].[C:6]-[I:10]	1	3841
+[N:1]-[C:2](=[O:3])-[C:4](=[N:5]-[N:6]-[c:7])-[C:8](-[C:9])=[O:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[C:8](-[C:9])=[O:10].[N:5]#[N+:6]-[c:7]	1	3852
+[N:1]-1-[C:2](=[O:3])-[N:4](-[C:5]-[c:6])-[C:7](=[O:8])-[C:9]=[C:10]-1>>[N:1]-1-[C:2](=[O:3])-[N:4]-[C:7](=[O:8])-[C:9]=[C:10]-1.[C:5](-[c:6])-[Cl:11]	1	3858
+[C:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[n:6]:[c:8](-[N:7]):[s:9]:1>>[C:1]-[C:2]-[Br:10].[S:3]=[C:4]-1-[N:5]-[N:6]=[C:8](-[N:7])-[S:9]-1	1	3887
+[C:1]-[C:2]-[C:3](-[C:4])(-[O:5])-[c:6]>>[C:1]-[C:2]-[Br:7].[C:3](-[C:4])(=[O:5])-[c:6]	1	3890
+[c:1]-[C:2](-[C:3]#[N:4])(-[C:5]-[C:6])-[S:7]>>[C:5](-[C:6])-[Br:8].[c:1]-[C:2](-[C:3]#[N:4])-[S:7]	1	3905
+[C:1]-[C:2](-[C:3])(-[O:4])-[C:5]-[C:6](=[O:7])-[O:8]>>[C:1]-[C:2](-[C:3])=[O:4].[C:5](-[C:6](=[O:7])-[O:8])-[Br:9]	1	3910
+[C:1]-[C:2](=[O:3])-[C:4]-[n:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:1>>[C:1]-[C:2](=[O:3])-[C:4]-[Br:10].[n:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:1	1	3912
+[C:1](=[O:2])(-[C:3])-[O:11]-[N:10]-1-[C:5](=[O:4])-[C:6]-[C:7]-[C:8]-1=[O:9]>>[C:1](=[O:2])(-[C:3])-[Cl:12].[O:4]=[C:5]-1-[C:6]-[C:7]-[C:8](=[O:9])-[N:10]-1-[O:11]	1	3926
+[C:1]-[C:2](=[O:3])-[C:4](-[C:5](-[N:6]-[S:7])=[N:9]-[c:8])=[C:10](-[O:11])-[c:12]>>[C:1]-[C:2](=[O:3])-[C:4](=[C:5](-[S:14]-[C:13])-[S:15]-[C:16])-[C:10](=[O:11])-[c:12].[N:6]-[S:7].[c:8]-[N:9]	1	3941
+[N:1]-[C:2](=[O:3])-[C:4]-[c:7]:1:[c:6](-[c:5]):[n:12]:[c:11](:[c:8]:1:[c:9]):[c:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[C:7]-[C:6](-[c:5])=[O:14].[c:8](:[c:9])(:[c:11]:[c:10])-[N:12]-[N:13]	1	3955
+[n:1]:[c:2](-[C:3]#[N:4]):[n:5]>>[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[n:5]	1	3957
+[C:1](#[C:2]-[c:3](:[c:4]):[c:5])-[Si:7](-[C:6])(-[C:8])-[C:9]>>[C:1](#[C:2]-[Sn:15](-[C:14]-[C:13]-[C:12]-[C:11])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23])-[Si:7](-[C:6])(-[C:8])-[C:9].[c:3](:[c:4])(:[c:5])-[Br:10]	1	3966
+[C:1]=[C:2](-[O:3])-[C:4](=[C:5]-[C:6])-[C:8](-[N:7])=[O:9]>>[C:1]=[C:2](-[O:3])-[Sn:15](-[C:14]-[C:13]-[C:12]-[C:11])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23].[C:4](=[C:5]-[C:6])(-[C:8](-[N:7])=[O:9])-[Br:10]	1	3967
+[C:1]=[C:2](-[O:3])-[c:4](:[c:5]):[n:8]:[c:7]:[c:6]>>[c:4](:[c:5])(:[n:8]:[c:7]:[c:6])-[Cl:22].[C:1]=[C:2](-[O:3])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21]	1	3968
+[C:1]=[C:2](-[c:3](:[c:4]:[n:5]):[c:6])-[O:7]>>[c:3](:[c:4]:[n:5])(:[c:6])-[Br:8].[C:1]=[C:2](-[O:7])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21]	1	3969
+[C:1]=[C:2](-[O:3])-[c:4](:[n:5]:[n:6]):[c:7]>>[C:1]=[C:2](-[O:3])-[Sn:12](-[C:11]-[C:10]-[C:9]-[C:8])(-[C:13]-[C:14]-[C:15]-[C:16])-[C:17]-[C:18]-[C:19]-[C:20].[c:4](:[n:5]:[n:6])(:[c:7])-[Cl:21]	1	3972
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]:[c:6]:[n:8]):[c:7]>>[C:1]=[C:2](-[O:3]-[C:18]-[C:19])-[Sn:9](-[C:10]-[C:11]-[C:12]-[C:13])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:24]-[C:23]-[C:22]-[C:21].[c:4](:[c:5]:[c:6]:[n:8])(:[c:7])-[Br:20]	1	3980
+[c:1]:[c:2](:[n:3]:[c:4](-[C:5](=[C:6])-[O:7]):[c:8]):[c:9]>>[C:5](=[C:6])(-[O:7])-[Sn:18](-[C:17]-[C:16]-[C:15]-[C:14])(-[C:19]-[C:20]-[C:21]-[C:22])-[C:23]-[C:10]-[C:11]-[C:12].[c:1]:[c:2](:[n:3]:[c:4](:[c:8])-[Cl:13]):[c:9]	1	3981
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[N-:4]=[N+:5]=[N:6]-[Sn:11](-[C:10]-[C:9]-[C:8]-[C:7])(-[C:12]-[C:13]-[C:14]-[C:15])-[C:16]-[C:17]-[C:18]-[C:19].[C:1]-[C:2]#[N:3]	1	3994
+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[n:6]:[n:7]:[n:8]:1>>[N:5](=[N+:7]=[N-:6])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[n:1]:[c:2]:[c:3]-[C:4]#[N:8]	1	3998
+[C:1]-[Sn:2](-[C:3])(-[C:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[Sn:2](-[C:3])(-[C:4])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:5](:[c:6])(:[c:7])-[Br:8]	1	4000
+[c:1]:1:[c:2]:[c:4](:[n:3]):[c:5](-[c:6]:2:[n:7]:[n:8]:[c:9]:[c:10]:2):[n:11]:[c:12]:1>>[c:1]:1:[c:2]:[c:4](:[n:3]):[c:5](:[n:11]:[c:12]:1)-[Cl:26].[c:6]:1(:[n:7]:[n:8]:[c:9]:[c:10]:1)-[Sn:17](-[C:16]-[C:15]-[C:14]-[C:13])(-[C:18]-[C:19]-[C:20]-[C:21])-[C:22]-[C:23]-[C:24]-[C:25]	1	4001
+[c:1]:[c:2](-[C:3]-1=[C:4]-[C:5]=[C:6]-[N:7]-[C:8]-1=[O:9]):[c:10]>>[c:1]:[c:2](:[c:10])-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[C:3]-1(=[C:4]-[C:5]=[C:6]-[N:7]-[C:8]-1=[O:9])-[Br:11]	1	4004
+[c:1]:1:[c:2]:[s:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:9]:[n:8]>>[c:6](:[c:7])(:[c:9]:[n:8])-[Sn:15](-[C:14]-[C:13]-[C:12]-[C:11])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23].[c:1]:1:[c:2]:[s:3]:[c:4]:[c:5]:1-[Br:10]	1	4005
+[c:1]-[C:2]=[C:3](-[C:4])-[C:5]>>[c:1]-[C:2](-[C:3](-[C:4])-[C:5])-[O:6]	1	4006
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[Cl:21].[N:4](-[C:5])-[C:19](-[C:18]-[C:17]-[C:16]-[C:15]-[C:14]-[C:13]-[C:12]-[C:11]-[C:10]-[C:9]-[C:8]-[C:7]-[C:6])=[O:20]	1	4018
+[C:1]#[C:2]-[C:3]-[O:4]-[C:5](-[C:6])=[O:7]>>[C:1]#[C:2]-[C:3]-[O:4].[C:5](-[C:6])(=[O:7])-[O:11]-[C:9](-[C:8])=[O:10]	1	4022
+[C:1]-1-[S:2]-[C:3](-[c:4]:[c:6]:[n:5])-[N:7](-[C:8])-[C:9]-1=[O:10]>>[N:7]-[C:8].[C:1](-[S:2])-[C:9](=[O:10])-[O:12].[C:3](-[c:4]:[c:6]:[n:5])=[O:11]	1	4024
+[c:1](-[C:2](-[C:3])-[O:4]):[c:5]:[n:6]>>[c:1](-[C:2]=[O:4]):[c:5]:[n:6].[C:3]-[Mg:8]-[I:7]	1	4036
+[C:1]-[C:2](=[C:3]-[C:4]-[O:5])-[C:6]>>[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[O:8]-[C:7])-[C:6]	1	4069
+[C:1]-[C:2](=[C:3]-[C:4]=[O:5])-[C:6]>>[C:1]-[C:2](=[C:3]-[C:4]-[O:5])-[C:6]	1	4070
+[C:1]-[C:2](-[C:3])=[C:4]-[C:5]>>[C:4](-[C:5])=[O:20].[C:1]-[C:2](-[C:3])-[P+:25](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:24]:3:[c:18]:[c:19]:[c:21]:[c:22]:[c:23]:3	1	4074
+[S:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[Br:6].[S:1]=[C:4](-[N:5])-[N:7]	1	4077
+[C:1]-[C:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[Mg:8]-[Br:7].[C:1]-[C:2]-[Br:6]	1	4100
+[C:1]-[C:2]-[C:3]-[O:4]>>[C:1]-[C:2]=[C:3].[O:4]	1	4121
+[O:1]-[C:2]-1=[C:3](-[O:4])-[C:5](=[O:6])-[C:7](-[C:8])=[C:9](-[C:10])-[C:11]-1=[O:12]>>[O:1]-[c:2]:1:[c:3](-[O:4]):[c:5](-[O:6]):[c:7](-[C:8]):[c:9](-[C:10]):[c:11]:1.[O:12]=[O:13]	1	4135
+[C:1]-[N:2]-[C:3](=[S:4])-[S:6]-[C:5]>>[C:1]-[N:2].[C:5]-[I:7].[C:3](=[S:4])=[S:6]	1	4145
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]>>[C:1]-[N:2].[C:3](-[O:4])(-[C:5]=[C:6])=[O:7]	1	4163
+[C:1]-[c:2]:1:[c:3](-[O:4]):[c:5]:[c:6]:[n:7]:[c:8]:1-[C:9]-[O:10]-[C:12](-[C:11])=[O:13]>>[C:1]-[c:2]:1:[n+:7](:[c:6]:[c:5]:[c:3](-[O:4]):[c:8]:1-[C:9])-[O-:17].[O:10](-[C:12](-[C:11])=[O:13])-[C:15](-[C:14])=[O:16]	1	4181
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6])-[C:7]>>[C:5](-[C:6])-[I:8].[C:1]-[C:2](=[O:3])-[N:4]-[C:7]	1	4186
+[C:1]-[n:2]:1:[n:3]:[n:4]:[n:5]:[c:6]:1-[C:7]>>[C:1]-[N:2]-[C:6](-[C:7])=[O:8].[N+:3](=[N:4])=[N-:5]	1	4191
+[c:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-1=[O:6]>>[c:1]-[N:2]-[C:5](-[C:4]-[C:3]-[Cl:7])=[O:6]	1	4203
+[C:1]-[C:2]-[C:3]#[C:4]>>[C:1]-[C:2]-[I:5].[C:3]#[C:4]	1	4206
+[C:1]-[C:2]-[O:3]-[C:4]-[C:5](=[O:6])-[O:7]>>[C:1]-[C:2]-[I:8].[O:3]-[C:4]-[C:5](=[O:6])-[O:7]	1	4209
+[C:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-1=[O:7]>>[C:3](-[C:4]-[C:5]-[C:6](=[O:7])-[O:10]-[C:9]-[C:8])-[Cl:11].[C:1]-[N:2]	1	4215
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]-[O:6])(-[c:7])-[c:8]>>[C:5]-1-[O:6]-[c:13]:2:[c:12](:[c:11]:[c:10](-[C:9]-3-[c:18]:4:[c:19](-[Br:20]):[c:21]:[c:22]:[c:23]:[c:24]:4-[N:30](-[C:29]-[C:28]-[C:27]-[C:26]-[C:25])-[C:31]-3=[O:32]):[c:15](:[c:14]:2)-[O:16])-[O:17]-1.[N:1]-[C:2](=[O:3])-[C:4](-[c:7])-[c:8]	1	4231
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-1-[C:6]=[C:7](-[C:8])-[C:9]-[N:10]-[C:11]-1=[O:12]>>[C:1]-[N:2]=[C:3]=[O:4].[N:5]-1-[C:6]=[C:7](-[C:8])-[C:9]-[N:10]-[C:11]-1=[O:12]	1	4235
+[N:1]-[C:2](=[O:3])-[C:4]-[S:5]-[C:6]>>[S:5]-[C:6].[N:1]-[C:2](=[O:3])-[C:4]-[Br:7]	1	4269
+[c:1](:[c:2](-[C:3]=[C:4]-[C:5]):[c:6]:[n:7]):[n:8]>>[C:3](=[C:4]-[C:5])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:1](:[c:2](:[c:6]:[n:7])-[I:22]):[n:8]	1	4273
+[n:1]:[c:2]:[c:3]:[c:4](-[C:5]=[C:6]-[C:7]):[c:8]>>[C:5](=[C:6]-[C:7])-[Sn:20](-[C:11]-[C:12]-[C:13]-[C:14])(-[C:19]-[C:18]-[C:17]-[C:16])-[C:21]-[C:22]-[C:9]-[C:10].[n:1]:[c:2]:[c:3]:[c:4](:[c:8])-[Br:15]	1	4275
+[C:1]=[C:2]-[C:3]-[c:4](:[c:5]):[c:6]>>[C:1]=[C:2]-[C:3]-[Sn:26](-[C:10]-[C:11]-[C:12]-[C:13])(-[C:25]-[C:24]-[C:23]-[C:22])-[C:27]-[C:7]-[C:8]-[C:9].[c:4](:[c:5])(:[c:6])-[O:17]-[S:15](=[O:14])(=[O:16])-[C:18](-[F:19])(-[F:20])-[F:21]	1	4277
+[C:1]=[C:2]-[C:3]-[c:4](:[c:5]:[c:6]:[n:8]):[c:7]>>[C:1]=[C:2]-[C:3]-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22].[c:4](:[c:5]:[c:6]:[n:8])(:[c:7])-[Br:9]	1	4283
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]>>[c:4](:[c:5])(:[c:6])-[Br:8].[n:1]:[c:2]:[c:3](:[c:7])-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21]	1	4288
+[c:1]:1:[c:2](-[N:3]-[C:4](-[C:5])-[C:6]):[c:7]:[n:8]:[o:9]:1>>[C:4](-[C:5])(-[C:6])=[O:10].[c:1]:1:[c:2](-[N:3]):[c:7]:[n:8]:[o:9]:1	1	4292
+[c:1]-[O:2]-[C:3]-[C:4]-[C:5](=[O:6])-[O:7]>>[C:3](-[C:4]-[C:5](=[O:6])-[O:7])-[Cl:8].[c:1]-[O:2]	1	4316
+[C:1]-[C:2]-[N:3](-[c:4](:[c:5]:[n:6]):[c:8]:[n:7])-[C:9]-[C:10]>>[C:1]-[C:2]-[Cl:11].[C:9](-[C:10])-[Cl:12].[N:3]-[c:4](:[c:5]:[n:6]):[c:8]:[n:7]	1	4341
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5]-[N:6](-[C:7]-[C:8])-[c:9]:2:[c:10](:[c:11]:[n:12]:[c:13]:[n:14]:2)-[C:15]-1=[O:16]>>[C:7](-[C:8])-[Cl:17].[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[c:9]:2:[c:10](:[c:11]:[n:12]:[c:13]:[n:14]:2):[c:15]:1-[O:16]	1	4344
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]-[C:6])(-[C:8]-[C:7])-[c:9]>>[N:1]-[C:2](=[O:3])-[C:4]-[c:9].[C:5](-[C:6])-[I:10].[C:7]-[C:8]-[I:11]	1	4373
+[c:1]-[C:2]-1-[S:3]-[C:4]-[C:5](=[O:6])-[N:7]-1-[C:8]>>[N:7]-[C:8].[c:1]-[C:2]=[O:9].[S:3]-[C:4]-[C:5](=[O:6])-[O:10]	1	4382
+[c:1]-[C:2]-1=[N:3]-[C:4]-[C:5]-[O:6]-1>>[C:4](-[C:5]-[O:6])-[N:7].[c:1]-[C:2]#[N:3]	1	4423
+[C:1]-[C:2](-[N:3]-[C:4])-[C:5]>>[N:3]-[C:4].[C:1]-[C:2](-[C:5])-[O:10]-[S:7](-[C:6])(=[O:8])=[O:9]	1	4444
+[C:1]-[N:2]-1-[C:3]-[C:4]-[N:5]=[C:6]-1-[c:7]>>[C:1]-[N:2]-[C:3]-[C:4]-[N:8].[N:5]#[C:6]-[c:7]	1	4508
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]-[C:7](-[C:8])=[O:9]>>[C:4](=[O:5])(-[C:6]-[C:7](-[C:8])=[O:9])-[O:12]-[C:11]-[C:10].[C:1]-[N:2]-[C:3]	1	4516
+[C:1]-[C:2](-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7])=[O:9]>>[C:1]-[C:2](-[O:3])=[O:9].[Si:4](-[C:5])(-[C:6])(-[C:7])-[Cl:8]	1	4553
+[C:1]-[S:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1>>[C:1]-[S:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[n:7]:1)-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15]	1	4554
+[O:1]-[C:2](=[O:3])-[O:4]-[C:5]-[I:6]>>[O:1]-[C:2](=[O:3])-[O:4]-[C:5]-[Cl:7].[I:6]	1	4556
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[C:6])-[N:7]-[C:8](-[C:9])=[C:10](-[C:11]=[O:12])-[C:13]-1-[c:14]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:15].[C:13](-[c:14])=[O:16].[N:7]-[C:8](-[C:9])=[C:10]-[C:11]=[O:12]	1	4557
+[c:1](:[n:2]:[c:3](-[S:4]-[c:5]):[c:6]):[c:7]>>[c:1](:[n:2]:[c:3](:[c:6])-[F:21]):[c:7].[S:4](-[c:5])-[C:20]-[C:19]-[C:17](-[O:16]-[C:15]-[C:12](-[C:11]-[C:10]-[C:9]-[C:8])-[C:13]-[C:14])=[O:18]	1	4558
+[C:1]=[N:2]-[C:3]#[N:4]>>[C:1]=[N:2].[C:3](#[N:4])-[N:5]	1	4559
+[n:1]:[c:2]:[c:3]-[C:4](-[N:5]-[C:6])=[N:7]>>[N:5]-[C:6].[n:1]:[c:2]:[c:3]-[C:4](=[N:7])-[O:11]-[C:10]-[C:9]-[C:8]	1	4560
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[N:6].[N:4]-[C:5]	1	4570
+[C:1]-[N:2]-[C:3](-[C:4]-[C:5](-[N:6])=[O:8])-[C:7]>>[C:3](-[C:4]-[C:5](-[N:6])=[O:8])-[C:7].[C:1]-[N:2]	1	4579
+[C:1]-[N:2]=[C:3]-1-[N:4]-[c:5](:[c:6]-[C:7](=[O:8])-[N:9]-1):[o:10]>>[C:1]-[N:2].[C:3]-1(=[N:4]-[c:5](:[c:6]-[C:7](=[O:8])-[N:9]-1):[o:10])-[S:12](-[C:11])(=[O:13])=[O:14]	1	4580
+[C:1]-[N:2]-[C:3]-[c:4](:[c:5]:[n:6]):[n:7]>>[C:1]-[N:2].[C:3](-[c:4](:[c:5]:[n:6]):[n:7])=[O:8]	1	4595
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[O:2].[C:3](-[c:4])-[O:5]	1	4597
+[C:1]-[O:2]-[c:3](:[c:4]):[n:7]:[c:6]:[c:5]>>[C:1]-[O:2].[c:3](:[c:4])(:[n:7]:[c:6]:[c:5])-[N+:9](=[O:8])-[O-:10]	1	4609
+[C:1]-[O:2]-[C:3]-[C:4]-[C:5]#[N:6]>>[C:1]-[O:2].[C:3]=[C:4]-[C:5]#[N:6]	1	4619
+[C:1](=[O:2])(-[C:3](-[c:4])(-[C:5]-[C:6])-[C:8]-[C:7])-[O:11]>>[C:5](-[C:6])-[Cl:10].[C:7]-[C:8]-[Cl:9].[C:1](=[O:2])(-[C:3]-[c:4])-[O:11]	1	4625
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[O:4]-[C:5].[C:1]-[C:2](=[O:3])-[Br:6]	1	4630
+[O:1]-[N:2]=[C:3](-[C:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[C:3](-[C:4])(-[c:5](:[c:6]:[n:7]):[n:8])=[O:9].[O:1]-[N:2]	1	4641
+[c:1]-[C:2]-[C:4]-[N:3]>>[c:1]-[C:2]=[O:5].[N:3]-[C:4]	1	4648
+[C:1]-[S:2]-[C:3]-[C:4]-[O:5]>>[C:1]-[S:2].[C:3]-1-[C:4]-[O:5]-1	1	4675
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[C:1]-[C:2](=[O:3])-[F:6]	1	4676
+[c:1]:[c:2](-[C:3]-[S:4]-[C:5]):[n:6]>>[S:4]-[C:5].[c:1]:[c:2](-[C:3]-[O:7]):[n:6]	1	4678
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5]-1-[N:6]-[C:7]-[C:8]-[S:9]-1)=[C:10]-[O:11]>>[N:6]-[C:7]-[C:8]-[S:9].[N:1]-[C:2](=[O:3])-[C:4](-[C:5]=[O:12])=[C:10]-[O:11]	1	4679
+[c:1]-[C:2]-1=[N:3]-[C:4]-[C:5]-[S:6]-1>>[N:3]-[C:4]-[C:5]-[S:6].[c:1]-[C:2]#[N:7]	1	4680
+[C:1]-[N:2]-[C:3](=[C:4](-[C:5])-[C:6])-[S:7]>>[C:1]-[N:2].[C:3](=[C:4](-[C:5])-[C:6])(-[S:7])-[S:9]-[C:8]	1	4689
+[c:1]:1(:[n:2]:[c:3]:[c:4]:[c:5]:[n:6]:1)-[Sn:8](-[C:7])(-[C:9])-[C:10]>>[C:7]-[Sn:8](-[C:9])-[C:10].[c:1]:1(:[n:2]:[c:3]:[c:4]:[c:5]:[n:6]:1)-[Cl:11]	1	4699
+[C:1]-[C:2]#[C:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[C:1]-[C:2]#[C:3]-[Sn:13](-[C:12]-[C:11]-[C:10]-[C:9])(-[C:14]-[C:15]-[C:16]-[C:17])-[C:18]-[C:19]-[C:20]-[C:21].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:22]	1	4700
+[C:1]-[Sn:2](-[C:3])(-[C:4])-[c:5]:1:[c:6]:[n:7]:[c:8]:[s:9]:1>>[c:5]:1:[c:6]:[n:7]:[c:8]:[s:9]:1.[C:1]-[Sn:2](-[C:3])(-[C:4])-[Cl:10]	1	4703
+[c:1]:1:[n:2]:[c:3]:[c:4](:[o:5]:1)-[Sn:7](-[C:6])(-[C:8])-[C:9]>>[C:6]-[Sn:7](-[C:8])(-[C:9])-[Cl:10].[c:1]:1:[n:2]:[c:3]:[c:4]:[o:5]:1	1	4705
+[n:1]:1:[n:2]:[c:3](:[c:4]:[c:5]:1)-[Sn:7](-[C:6])(-[C:8])-[C:9]>>[C:6]-[Sn:7](-[C:8])(-[C:9])-[Cl:10].[n:1]:1:[n:2]:[c:3](:[c:4]:[c:5]:1)-[I:11]	1	4708
+[C:1]-[Sn:2](-[C:3])(-[C:4])-[c:5]:1:[c:6]:[n:7]:[c:8]:[n:9]:1>>[C:1]-[Sn:2](-[C:3])(-[C:4])-[Cl:10].[c:5]:1(:[c:6]:[n:7]:[c:8]:[n:9]:1)-[I:11]	1	4709
+[c:1](:[c:2])(:[c:4]:[n:3])-[Sn:6](-[C:5])(-[C:7])-[C:8]>>[C:5]-[Sn:6](-[C:7])(-[C:8])-[Cl:9].[c:1](:[c:2]):[c:4]:[n:3]	1	4711
+[c:1]:1(:[n:2]:[c:3](:[c:4](:[c:5]):[s:7]:1):[c:6])-[Sn:9](-[C:8])(-[C:10])-[C:11]>>[C:8]-[Sn:9](-[C:10])(-[C:11])-[Cl:12].[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]):[s:7]:1):[c:6]	1	4712
+[c:1]:[c:2](:[c:3])-[Sn:5](-[C:4])(-[C:6])-[C:7]>>[C:4]-[Sn:5](-[C:6])(-[C:7])-[Cl:9].[c:1]:[c:2](:[c:3])-[Br:8]	1	4713
+[n:1]:1:[n:2]:[c:3](-[c:4]:2:[c:5]:[n:6]:[c:7]:[c:8](:[n:9]:2):[c:10]):[c:11]:[c:12]:1>>[n:1]:1:[n:2]:[c:3](:[c:11]:[c:12]:1)-[Sn:18](-[C:17]-[C:16]-[C:15]-[C:14])(-[C:19]-[C:20]-[C:21]-[C:22])-[C:23]-[C:24]-[C:25]-[C:26].[c:4]:1(:[c:5]:[n:6]:[c:7]:[c:8](:[n:9]:1):[c:10])-[Br:13]	1	4715
+[c:1]:[c:2](-[c:3]:1:[c:4]:[s:5]:[c:6]:[n:7]:1):[c:8]>>[c:3]:1(:[c:4]:[s:5]:[c:6]:[n:7]:1)-[Sn:14](-[C:13]-[C:12]-[C:11]-[C:10])(-[C:15]-[C:16]-[C:17]-[C:18])-[C:19]-[C:20]-[C:21]-[C:22].[c:1]:[c:2](:[c:8])-[Br:9]	1	4716
+[C:1](=[C:2](-[c:3])-[C:4](=[O:5])-[O:6])-[N:7]>>[C:2](-[c:3])-[C:4](=[O:5])-[O:6].[C:1](-[N:7])=[O:8]	1	4723
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](-[n:6]:1:[n:7]:[n:8]:[c:9]:[c:10]:1:[c:11])-[C:12]>>[C:1]-[C:2](=[O:3])-[N:4].[C:5](-[C:12])=[O:13].[n:6]:1:[n:7]:[n:8]:[c:9]:[c:10]:1:[c:11]	1	4736
+[c:1]:1:[c:2]:[n:3]:[c:5](:[c:4]):[c:6]:1-[C:7]-[c:8](:[n:9]):[c:10]>>[c:1]:1:[c:2]:[n:3]:[c:5](:[c:4]):[c:6]:1.[C:7](-[c:8](:[n:9]):[c:10])=[O:11]	1	4746
+[N:1](-[C:2]-[C:3](=[O:4])-[O:6])-[C:5]>>[N:1]-[C:5].[C:2](-[C:3](=[O:4])-[O:6])=[O:7]	1	4749
+[c:1]:1:[n:2]:[n:3](-[C:4]-[c:5]:[c:6]:[n:7]):[c:8]:[n:9]:1>>[c:1]:1:[n:2]:[n:3]:[c:8]:[n:9]:1.[C:4](-[c:5]:[c:6]:[n:7])-[Br:10]	1	4752
+[C:1]-[C:2](-[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[o:8]:1)=[O:9]>>[C:1]-[C:2](=[O:9])-[Cl:10].[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[o:8]:1	1	4764
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]>>[C:6](=[O:7])(-[c:8])-[Cl:9].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]	1	4773
+[c:1]:1(:[n:2]:[c:3](-[c:4]):[n:5]:[c:6](:[c:7]):[c:9]:1:[c:8])-[O:10]>>[C:3](-[c:4])(=[O:11])-[Cl:12].[C:1](-[N:2])(-[c:9](:[c:6](-[N:5]):[c:7]):[c:8])=[O:10]	1	4775
+[c:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[c:6]:[c:7]:[n:8]:1>>[c:1]-[C:2](=[O:3])-[Cl:9].[c:4]:1:[n:5]:[c:6]:[c:7]:[n:8]:1	1	4778
+[C:1](=[O:2])(-[c:3]:[c:5]:[n:4])-[N:7](-[O:6])-[C:8]>>[C:1](=[O:2])(-[c:3]:[c:5]:[n:4])-[Cl:9].[O:6]-[N:7]-[C:8]	1	4790
+[N:1]-1-[N:2]=[N:3]-[N:4](-[c:5](:[c:6]):[c:7])-[C:8]-1=[O:9]>>[c:5](:[c:6])(:[c:7])-[C:8](=[O:9])-[Cl:10].[N-:2]=[N+:3]=[N-:4].[N:1](=[O:11])-[O:12]	1	4792
+[N:1]-[C:2](-[C:3]-[N:4](-[C:5])-[c:6])=[O:7]>>[N:4](-[C:5])-[c:6].[N:1]-[C:2](-[C:3]-[Cl:8])=[O:7]	1	4796
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[C:7](-[N:8])=[O:9]):[c:10]:1>>[C:6](-[C:7](-[N:8])=[O:9])-[Cl:11].[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[C:10]=[O:12]	1	4798
+[O:1]=[C:2](-[C:3]-[S:4]-[c:5]:1:[n:6]:[c:7](:[c:8](:[c:9]):[s:11]:1):[c:10])-[N:12]>>[O:1]=[C:2](-[C:3]-[Cl:13])-[N:12].[S:4]=[C:5]-1-[N:6]-[c:7](:[c:8](:[c:9])-[S:11]-1):[c:10]	1	4801
+[C:1]=[C:2](-[C:3])-[C:4]-[C:5](-[C:6])(-[C:7])-[O:8]>>[C:1]=[C:2](-[C:3])-[C:4]-[Cl:9].[C:5](-[C:6])(-[C:7])=[O:8]	1	4807
+[C:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-1>>[C:3](-[C:4]-[C:5]-[Cl:6])-[Cl:7].[C:1]-[N:2]	1	4812
+[O:1]=[C:2](-[C:3]-[c:4]:1:[c:5]:[o:6]:[c:7](:[c:8]:1:[c:9]):[c:10])-[O:11]>>[O:1]=[C:2]-1-[C:3]=[C:4](-[C:5]-[Cl:12])-[c:8](:[c:7](-[O:6]-1):[c:10]):[c:9].[O:11]	1	4818
+[C:1]-[n:2]:1:[n:3]:[c:4](-[C:5](=[O:6])-[O:7]):[c:8]:[c:9]:1-[O:10]-[C:11]-[C:12]>>[C:11](-[C:12])-[Br:13].[C:1]-[N:2]-1-[N:3]=[C:4](-[C:5](=[O:6])-[O:7])-[C:8]-[C:9]-1=[O:10]	1	4827
+[c:1]-[O:2]-[C:3]-[C:4]-[C:5]-[N:6](-[C:7])-[C:8]>>[C:3](-[C:4]-[C:5]-[Br:10])-[Cl:9].[N:6](-[C:7])-[C:8].[c:1]-[O:2]	1	4828
+[C:1]-[N:2](-[C:3]-[C:4]-[C:5]-[O:6]-[c:7])-[C:8]>>[C:3](-[C:4]-[C:5]-[Br:10])-[Cl:9].[C:1]-[N:2]-[C:8].[O:6]-[c:7]	1	4838
+[C:1]-[C:2]-[N:3]-1-[N:4]=[C:5](-[C:6])-[c:7](:[c:8]):[c:10](:[c:9])-[C:11]-1=[O:12]>>[C:1]-[C:2]-[Br:13].[n:3]:1:[n:4]:[c:5](-[C:6]):[c:7](:[c:8]):[c:10](:[c:9]):[c:11]:1-[O:12]	1	4839
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+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[n:6]:[c:7](-[S:8]-[C:9]-[C:10]):[n:11]:1-[C:12]):[s:13]>>[C:9](-[C:10])-[Br:14].[n:1]:[c:2]:[c:3](-[C:4]-1=[N:5]-[N:6]-[C:7](=[S:8])-[N:11]-1-[C:12]):[s:13]	1	4843
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+[n:1]:[c:6](:[c:2]-[O:3]-[C:4]-[c:5]):[n:7]>>[C:4](-[c:5])-[Cl:8].[n:1]:[c:6](:[c:2]-[O:3]):[n:7]	1	4897
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+[n:1]:[c:2](-[C:3]-[S:4]-[c:5](:[n:6]):[n:7]):[c:8]:[s:9]>>[n:1]:[c:2](-[C:3]-[Cl:10]):[c:8]:[s:9].[S:4]-[c:5](:[n:6]):[n:7]	1	4903
+[C:1]-[C:2](=[O:3])-[C:4]-[n:5]:1:[c:6]:[n:7]:[c:8]:[n:9]:1>>[C:1]-[C:2](=[O:3])-[C:4]-[Br:10].[n:5]:1:[c:6]:[n:7]:[c:8]:[n:9]:1	1	4921
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+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[O:6]-[c:7]>>[C:1]-[N:2](-[C:4](=[O:5])-[C:16])-[Cl:17].[O:6]-[c:7].[C:3]-[N:9](-[C:8])-[c:10]:1:[c:11]:[c:12]:[n:13]:[c:14]:[c:15]:1	1	4932
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+[N:1](-[C:2])-[C:3]-[C:4](-[C:5])=[C:6]>>[N:1]-[C:2].[C:3](-[C:4](-[C:5])=[C:6])=[O:7]	1	4954
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+[N:1]-1-[C:2](=[O:3])-[N:4](-[C:5](=[O:6])-[c:7]:[c:8]-1:[s:9])-[C:10]>>[N:1]-[c:8](:[c:7]-[C:5](=[O:3])-[O:6]-[C:11]):[s:9].[N:4]-[C:10].[C:2](=[O:12])(-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17])-[O:18]-[C:19](-[Cl:20])(-[Cl:21])-[Cl:22]	1	4978
+[c:1]-1:[c:2](:[s:3])-[N:4]-[C:5](=[O:6])-[N:7](-[C:8]-1=[O:9])-[C:10]>>[N:7]-[C:10].[C:5](=[O:6])(-[O:17]-[C:14](-[Cl:13])(-[Cl:15])-[Cl:16])-[O:18]-[C:19](-[Cl:20])(-[Cl:21])-[Cl:22].[c:1](:[c:2](:[s:3])-[N:4])-[C:8](=[O:9])-[O:12]-[C:11]	1	4983
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[n:5]>>[n:1]:[c:2](-[C:3](=[O:6])-[O:7]):[n:5].[N:4]	1	4995
+[C:1]-[C:2](-[N+:3])=[C:4](-[O:5]-[C:6](-[C:7])-[C:8])-[C:9]=[C:10]>>[C:1]-[C:2](-[N+:3])=[C:4](-[O:5])-[C:9]=[C:10].[C:6](-[C:7])(-[C:8])-[O:11]	1	4996
+[C:1]-[C:2](-[N+:3])=[C:4](-[C:5]=[C:6])-[O:10]-[S:8](=[O:7])(=[O:9])-[C:11](-[F:12])(-[F:13])-[F:14]>>[C:1]-[C:2](-[N+:3])=[C:4](-[C:5]=[C:6])-[O:10].[O:7]=[S:8](=[O:9])(-[C:11](-[F:12])(-[F:13])-[F:14])-[O:18]-[S:16](=[O:15])(=[O:17])-[C:19](-[F:20])(-[F:21])-[F:22]	1	4997
+[c:1]:[c:2](:[c:3])-[B:10](-[O:9])-[O:11]>>[c:1]:[c:2](:[c:3])-[Br:12].[C:4]-[C:21]-1(-[O:11]-[B:10](-[O:9]-[C:18]-1(-[C:19])-[C:20])-[B:17]-2-[O:5]-[C:6](-[C:7])(-[C:8])-[C:14](-[C:13])(-[C:15])-[O:16]-2)-[C:22]	1	5003
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:4]=[O:3]	1	5013
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[n:6])-[C:7](=[N:8])-[C:10](-[N:9])=[O:11]>>[O:1]=[C:2](-[C:7](=[N:8])-[C:10](-[N:9])=[O:11])-[O:12].[N:3]-[c:4](:[n:5]):[n:6]	1	5014
+[N:1]-[C:2](-[C:3](=[C:4]-[C:5])-[c:6])=[S:7]>>[N:1]-[C:2](-[C:3](-[C:4](-[C:5])-[O:8])-[c:6])=[S:7]	1	5026
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+[N:1]-1-[N:2]=[C:3](-[c:4])-[O:5]-[C:6]-1=[O:7]>>[N:1]-[N:2]-[C:3](-[c:4])=[O:5].[C:6](=[O:7])(-[O:10]-[C:13](-[Cl:8])(-[Cl:9])-[Cl:12])-[Cl:11]	1	5043
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]:[c:8]:[n:7]):[o:9]:1>>[c:1]-[C:2](-[N:3]-[N:4]-[C:5](-[c:6]:[c:8]:[n:7])=[O:10])=[O:9]	1	5044
+[c:1]:[c:2](-[c:3]:1:[c:4]:[s:5]:[c:6]:[c:7]:1:[c:8]:[n:9]):[c:10]>>[c:3]:1(:[c:4]:[s:5]:[c:6]:[c:7]:1:[c:8]:[n:9])-[Br:11].[c:1]:[c:2](:[c:10])-[B:13](-[O:12])-[O:14]	1	5050
+[C:1]-1-[C:2]-[C:3](=[O:4])-[N:5](-[c:6])-[C:7]-1=[O:8]>>[C:1](-[C:2]-[C:3](=[O:4])-[O:9])-[C:7](=[O:8])-[O:10].[N:5]-[c:6]	1	5068
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]:[c:6]:[n:8]):[c:7]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5]:[c:6]:[n:8])(:[c:7])-[Br:9]	1	5089
+[n:1]:[c:2]:[c:3]:[c:4](-[C:5]#[C:6]-[C:7]):[c:8]>>[C:5]#[C:6]-[C:7].[n:1]:[c:2]:[c:3]:[c:4](:[c:8])-[I:9]	1	5093
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[C:7]):[n:8](-[C:9]):[c:10]:2:[n:11]:1>>[C:6](-[C:7])(=[O:12])-[O:13].[c:1]:1:[c:2]:[c:3]:[c:4](-[N:5]):[c:10](-[N:8]-[C:9]):[n:11]:1	1	5099
+[n:1]:[c:2]:1:[c:3]:[c:4]:2:[n:5]:[n:6]:[c:7](-[C:8]):[n:9]:2:[c:10]:[c:11]:1>>[C:7](-[C:8])(-[O:12])=[O:13].[n:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[N:6]):[n:9]:[c:10]:[c:11]:1	1	5103
+[O:1]=[C:2](-[C:3]-[O:4]-[c:5](:[n:6]:[c:7]:[c:8]):[c:9])-[O:10]>>[O:1]=[C:2](-[C:3]-[O:4])-[O:10].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Br:11]	1	5111
+[C:1](-[C:2]-[O:3]-[c:4](:[c:5]):[c:6])=[C:7]>>[C:1](-[C:2]-[O:3])=[C:7].[c:4](:[c:5])(:[c:6])-[F:8]	1	5112
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+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5]-2:[c:6]:1-[S:7]-[C:8](=[O:9])-[N:10]-2>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[s:7]:[c:8](-[O:9]-[C:11]):[n:10]:2	1	5116
+[c:1]:[c:3]:1:[c:2]:[n:6]:[c:5](:[s:4]:1)-[Cl:7]>>[c:1]:[c:3]:1:[c:2]:[n:6]:[c:5](:[s:4]:1)-[N:8].[Cl:7]	1	5117
+[C:1]-1-[C:2]-[O:3]-[C:4](-[C:5])(-[C:6](=[O:7])-[O:8])-[O:9]-[C:10]-1>>[C:1](-[C:2]-[O:3])-[C:10]-[O:11].[C:4](-[C:5])(-[C:6](=[O:7])-[O:8])=[O:9]	1	5119
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+[C:1]-1-[C:2]-[O:3]-[C:4](-[c:5])-[O:6]-[C:7]-1>>[C:1](-[C:2]-[O:3])-[C:7]-[O:8].[C:4](-[c:5])=[O:6]	1	5127
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[O:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[O:8])-[O:16]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	1	5128
+[C:1]-[C:2]-[C:3]>>[C:1]-[C:6]-[C:5]-[O:4].[C:2]-[C:3]	1	5144
+[n:1]:[c:2]:[c:3]-[C:4](=[N:5])-[O:7]-[C:6]>>[C:6]-[O:7].[n:1]:[c:2]:[c:3]-[C:4]#[N:5]	1	5145
+[C:1]-[C:2]-1-[C:3]-[C:4](-[C:5]-[C:6]-[O:7]-1)-[O:8]>>[C:3]=[C:4]-[C:5]-[C:6]-[O:8].[C:1]-[C:2]=[O:7]	1	5149
+[n:1]:[c:3](:[c:2])-[C:4]-1-[C:5]-[C:6](-[C:7]-[C:8]-[O:9]-1)-[O:11]-[S:10]>>[C:5]=[C:6]-[C:7]-[C:8]-[O:12].[S:10]-[O:11].[n:1]:[c:3](:[c:2])-[C:4]=[O:9]	1	5150
+[N:1]-1-[N:2]=[C:3](-[O:4]-[C:5])-[C:6]=[C:7]-[C:8]-1>>[O:4]-[C:5].[N:1]-1-[N:2]=[C:3](-[C:6]=[C:7]-[C:8]-1)-[Cl:9]	1	5151
+[C:1]-1(-[C:2]-[C:3]-[O:4]-[C:5](-[c:6])-[C:7]-1)-[O:8]>>[C:1](-[C:2]-[C:3]-[O:4])=[C:7].[C:5](-[c:6])=[O:8]	1	5152
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4]):[c:5].[C:1]-[O:2]	1	5153
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+[C:1]-[C:2]-[O:3]-[C:4]=[C:5](-[C:6])-[N:7]>>[O:3]-[C:4]=[C:5](-[C:6])-[N:7].[C:1]-[C:2]-[O:8]	1	5186
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+[C:1]-[N:2](-[C:3]-[C:4])-[c:5]>>[C:3](-[C:4])-[Cl:6].[C:1]-[N:2]-[c:5]	1	5213
+[O:1]-[C:2]-[C:3].[C:4]-[C:5]-[O:6]-[c:7]>>[O:1]-[C:5]-[C:4].[C:2](-[C:3])-[Cl:8].[O:6]-[c:7]	1	5214
+[O:1]=[C:2]-1-[c:3](:[c:4]):[c:6](:[c:5])-[C:7](-[c:8])=[C:9]-[N:10]-1-[C:11]-[C:12]>>[C:11](-[C:12])-[Cl:13].[O:1]-[c:2]:1:[c:3](:[c:4]):[c:6](:[c:5]):[c:7](-[c:8]):[c:9]:[n:10]:1	1	5227
+[n:1]:[c:2]:[c:7]:[c:4](:[c:3])-[N:5]-[C:6]>>[N:5]-[C:6].[n:1]:[c:2]:[c:7]:[c:4](:[c:3])-[F:8]	1	5249
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5](:[n:6]):[c:8](:[c:7]):[n:9]:1>>[C:1]-[O:2].[c:3]:1(:[c:4]:[c:5](:[n:6]):[c:8](:[c:7]):[n:9]:1)-[Cl:10]	1	5265
+[O:1]=[C:2](-[O:3]-[C:4])-[c:5]>>[O:3]-[C:4].[O:1]=[C:2](-[c:5])-[O:7]-[C:6]	1	5266
+[c:1]-[C:3](-[C:4](-[N:2])=[O:5])(-[O:7]-[C:6])-[O:8]-[C:9]>>[C:6]-[O:7].[O:8]-[C:9].[c:1]-[C:3](-[C:4](-[N:2])=[O:5])=[O:10]	1	5272
+[c:1]-[C:2](-[O:3]-[C:4])-[O:6]-[C:5]>>[O:3]-[C:4].[C:5]-[O:6].[c:1]-[C:2]=[O:7]	1	5275
+[c:1]:1:[c:2]:[n:3](:[c:4]:[n:5]:1)-[C:7](-[c:6])(-[c:8])-[c:9]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1.[c:6]-[C:7](-[c:8])(-[c:9])-[Cl:10]	1	5282
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5](=[O:6])-[O:7]>>[C:3](-[C:4])-[I:8].[C:1]-[N:2]-[C:5](=[O:6])-[O:7]	1	5286
+[C:1]-[N:2](-[C:3])-[C:4]-[C:5]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])-[N:8](-[C:7]-[C:6])-[C:9]-[C:10]	1	5309
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+[C:1]-[N:2](-[C:3])-[C:4](-[C:5])(-[C:6])-[C:7]#[C:8]>>[C:1]-[N:2]-[C:3].[C:4](-[C:5])(-[C:6])(-[C:7]#[C:8])-[Cl:9]	1	5319
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+[N:1]#[C:2]-[c:3]:1:[c:4](-[N:5]):[n:6](-[C:7]):[n:8]:[c:9]:1>>[N:6](-[C:7])-[N:8].[N:1]#[C:2]-[C:3](-[C:4]#[N:5])=[C:9]-[O:12]-[C:11]-[C:10]	1	5326
+[C:1]-[c:2]:1:[c:3](-[C:4]):[n:5](-[C:6]):[n:7]:[c:8]:1>>[N:5](-[C:6])-[N:7].[C:1]-[C:2](-[C:3](-[C:4])=[O:9])-[C:8]=[O:10]	1	5327
+[c:1]-[C:2]-[Cl:3]>>[c:1]-[C:2]-[O:13].[Cl:3]-[C:12]-[c:11]:1:[c:5](-[Cl:4]):[c:6]:[n:7]:[c:8]:[c:9]:1-[Cl:10]	1	5355
+[c:1]-[O:2]-[C:3]-[c:4]:[c:5]:[o:6]>>[C:3](-[c:4]:[c:5]:[o:6])-[O:7].[c:1]-[O:2]	1	5365
+[c:1](-[C:2]-[Cl:3]):[c:4]:[n:5]>>[c:1](-[C:2]-[O:10]):[c:4]:[n:5].[Cl:3]-[S:7](-[C:6])(=[O:8])=[O:9]	1	5370
+[c:1](:[c:2])(:[c:3])-[B:5](-[O:4])-[O:6]>>[c:1](:[c:2])(:[c:3])-[Br:7].[O:4]-[B:5](-[O:6])-[O:10]-[C:9]-[C:8]	1	5387
+[C:1]-[C:2](=[N:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2](=[N:3])-[O:9]-[C:8]-[C:7]	1	5391
+[c:1](-[C:2]-[C:3](=[O:4])-[O:7]):[c:5]:[n:6]>>[c:1](-[C:2](-[C:3](=[O:4])-[O:7])-[C:11](-[O:10]-[C:9]-[C:8])=[O:12]):[c:5]:[n:6]	1	5392
+[c:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6](-[O:10])=[O:16]):[c:7](-[O:8]):[n:9]:1>>[C:4](=[C:5](-[C:6](-[O:10])=[O:16])-[C:7](=[O:8])-[O:13]-[C:14]-[C:15])-[O:12]-[C:11]-[C:17].[c:1]-[C:2](-[N:3])=[N:9]	1	5394
+[C:1]-[N:9](-[c:2])-[C:8]=[C:5](-[C:3](=[O:4])-[O:12])-[C:6](=[O:7])-[O:11]-[C:10]>>[C:3](=[O:4])(-[C:5](-[C:6](=[O:7])-[O:15]-[C:14]-[C:13])=[C:8]-[O:11]-[C:10])-[O:12].[C:1]-[N:9]-[c:2]	1	5395
+[c:1]-[N:2]-1-[C:3](=[O:4])-[C:5](-[C:6](=[O:7])-[O:8])=[C:9]-[N:10]-1>>[C:3](=[O:4])(-[C:5](-[C:6](=[O:7])-[O:8])=[C:9]-[O:13]-[C:12]-[C:11])-[O:14]-[C:15]-[C:16].[c:1]-[N:2]-[N:10]	1	5397
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5]-[N:6]=[C:7]-2-[c:8](:[c:9]):[c:11](:[c:10])-[C:12](-[C:13])=[C:14]-[N:15]-2-[C:16]-1=[O:17]>>[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[O:23]-[C:22]-[C:21])-[C:16](=[O:17])-[O:18]-[C:19]-[C:20].[N:6]-[c:7]:1:[c:8](:[c:9]):[c:11](:[c:10]):[c:12](-[C:13]):[c:14]:[n:15]:1	1	5398
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[c:7](-[c:8]):[n:9]:[c:10]:1-[O:11]>>[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[O:15]-[C:14]-[C:13])-[C:10](=[O:11])-[O:16]-[C:17]-[C:12].[N:6]=[C:7](-[c:8])-[N:9]	1	5412
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5](=[C:6]-[N:7]-[c:8]:[c:9]:[n:10])-[C:11](=[O:12])-[O:13]>>[C:1]-[O:2]-[C:6]=[C:5](-[C:3](=[O:4])-[O:16]-[C:15]-[C:14])-[C:11](=[O:12])-[O:13].[N:7]-[c:8]:[c:9]:[n:10]	1	5413
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[O:11])-[c:10]:[c:8]:[n:9]>>[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[O:11])-[Cl:12].[C:1]-[N:2]-[c:10]:[c:8]:[n:9]	1	5424
+[N:1](-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:10])-[c:9]:[c:7]:[n:8]>>[C:2](=[O:3])(-[C:4]-[C:5](=[O:6])-[O:10])-[Cl:11].[N:1]-[c:9]:[c:7]:[n:8]	1	5425
+[C:1](-[N:2])(-[n:8]:1:[c:4](-[c:3]):[n:5]:[c:6]:[n:7]:1)=[O:9]>>[C:1](-[N:2])(=[O:9])-[O:12]-[C:11]-[C:10].[c:3]-[C:4]#[N:5].[C:6](-[N:7]-[N:8])=[O:13]	1	5445
+[c:1]-[C:2]-[N:3]-1-[N:4]=[C:5](-[c:6])-[C:7]=[C:8]-[C:9]-1=[O:10]>>[c:1]-[C:2]-[O:11].[n:3]:1:[n:4]:[c:5](-[c:6]):[c:7]:[c:8]:[c:9]:1-[O:10]	1	5452
+[c:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5]:1:[n:6]:[c:7]:[n:8]:[c:9]:2-[O:10]>>[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:1-[N:6])-[C:9](=[O:10])-[O:13]-[C:12]-[C:11].[C:7](-[N:8])=[N:14]	1	5456
+[O:1]=[C:2]-1-[C:3](=[C:4](-[C:5])-[N:7]-[N:8]-1-[c:9])-[C:6]>>[O:1]=[C:2](-[C:4](-[C:3](-[C:6])=[O:13])-[C:5])-[O:12]-[C:11]-[C:10].[N:7]-[N:8]-[c:9]	1	5462
+[C:1]-[C:2]-1=[N:3]-[N:4](-[c:5])-[C:6](=[O:7])-[C:8]-1>>[N:3]-[N:4]-[c:5].[C:1]-[C:2](-[C:8]-[C:6](=[O:7])-[O:11]-[C:10]-[C:9])=[O:12]	1	5484
+[c:1]:1-[C:2]=[C:3](-[C:4](-[C:5])=[O:11])-[C:6](=[O:7])-[O:8]-[c:9]:1:[n:10]>>[C:3](-[C:4](-[C:5])=[O:11])-[C:6](=[O:7])-[O:14]-[C:13]-[C:12].[c:1](-[C:2]=[O:15]):[c:9](-[O:8]):[n:10]	1	5487
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:7]:[c:8]:[c:9]:1-[C:10]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:12].[N:7]-[C:8]-[C:9](-[C:10])=[O:11]	1	5488
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[C:6])-[N:7]=[C:8](-[c:9](:[n:10]):[c:11])-[N:12]-[C:13]-1-[c:14]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:15].[C:13](-[c:14])=[O:16].[N:7]-[C:8](-[c:9](:[n:10]):[c:11])=[N:12]	1	5492
+[C:1]-[C:2](-[C:3]-[C:4]-[c:5])=[O:6]>>[C:1]-[C:2](-[C:3])=[O:6].[C:4](-[c:5])-[Br:7]	1	5493
+[C:1]-[c:2]:1:[c:3](:[n:4]:[c:5](:[c:6]):[c:8]:1:[c:7])-[C:12](-[O:9])=[O:11]>>[C:1]-[C:2](-[C:3]-[C:12](-[O:9])=[O:11])=[O:10].[N:4]-[c:5](:[c:6]):[c:8]:[c:7]	1	5496
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[C:6])-[N:7]=[C:8](-[c:9](:[n:10]):[c:12]:[n:11])-[N:13]-[C:14]-1-[c:15]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:16].[N:7]-[C:8](-[c:9](:[n:10]):[c:12]:[n:11])=[N:13].[C:14](-[c:15])=[O:17]	1	5502
+[C:1]-[C:2]=1-[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:10]=1)=[O:11]>>[C:1]-[C:2](-[C:10]-[C:9](=[O:11])-[O:14]-[C:13]-[C:12])=[O:15].[N:3]-[c:4]:1:[c:5]:[c:6]:[n:7]:[n:8]:1	1	5504
+[C:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6]-2-[C:7]=[C:8]-[S:9]-[C:10]-2=[N:11]-1>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:14]-[C:13]-[C:12])=[O:15].[n:6]:1:[c:7]:[c:8]:[s:9]:[c:10]:1-[N:11]	1	5505
+[S:1]-[C:2]-1=[N:3]-[N:4]-2-[C:5](=[O:6])-[C:7]=[C:8](-[C:9])-[N:10]=[C:11]-2-[S:12]-1>>[C:5](=[O:6])(-[C:7]-[C:8](-[C:9])=[O:16])-[O:15]-[C:14]-[C:13].[S:1]-[c:2]:1:[n:3]:[n:4]:[c:11](-[N:10]):[s:12]:1	1	5506
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[C:6])-[N:7]=[C:8](-[c:9](:[n:10]):[s:11])-[N:12]-[C:13]-1-[c:14]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:15].[N:7]-[C:8](-[c:9](:[n:10]):[s:11])=[N:12].[C:13](-[c:14])=[O:16]	1	5507
+[C:1](=[O:2])(-[c:3]:1:[c:4](-[C:5]):[n:6]:[c:7](:[c:8]):[c:10]:1:[c:9])-[O:11]>>[C:1](=[O:2])(-[C:3]-[C:4](-[C:5])=[O:13])-[O:11].[N:6]-[c:7](:[c:8]):[c:10](:[c:9])-[I:12]	1	5511
+[C:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:12])-[O:13])=[C:8]-[N:7]-[c:6]>>[C:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:12])-[O:13].[C:8](-[O:9]-[C:10]-[C:11])(-[O:16]-[C:15]-[C:14])-[O:17]-[C:18]-[C:19].[c:6]-[N:7]	1	5522
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[O:8]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[O:8])-[O:9]	1	5526
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5]-[C:6](-[N:7]=[C:8]-1)=[O:9]>>[C:3](=[O:4])(-[C:5]-[C:6](-[O:9])=[O:13])-[O:12]-[C:11]-[C:10].[C:1]-[N:2]-[C:8]=[N:7]	1	5532
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[c:7]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:10](=[O:9])-[O:11].[C:5](=[O:6])(-[c:7])-[Cl:8]	1	5540
+[C:1]-[c:2]:1:[c:3](-[C:4]-[C:5](-[O:6])=[O:11]):[n:7]:[c:8](-[c:9]):[s:10]:1>>[C:1]-[C:2](-[C:3](-[C:4]-[C:5](-[O:6])=[O:11])=[O:12])-[Br:13].[N:7]-[C:8](-[c:9])=[S:10]	1	5543
+[C:1](-[C:2]-[C:3](-[C:4]=[O:9])-[C:5](=[O:6])-[O:8])=[C:7]>>[C:1](-[C:2]-[C:3]-[C:5](=[O:6])-[O:8])=[C:7].[C:4](=[O:9])-[O:12]-[C:11]-[C:10]	1	5573
+[C:1]-[C:2](-[C:3])(-[O:4])-[C:5](-[C:6])-[C:8](-[C:7])=[O:9]>>[C:1]-[C:2](-[C:3])=[O:4].[C:5](-[C:6])-[C:8](-[C:7])=[O:9]	1	5574
+[C:1]-[C:2](-[C:3](-[O:9])=[O:10])-[C:4](-[C:5](=[O:6])-[O:7])=[O:8]>>[C:1]-[C:2]-[C:3](-[O:9])=[O:10].[C:4](-[C:5](=[O:6])-[O:7])(=[O:8])-[O:13]-[C:12]-[C:11]	1	5575
+[C:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[c:6](-[c:7]):[c:8](-[c:9]):[n:10]:1>>[C:1]-[C:2]-[Br:11].[S:3]=[C:4]-1-[N:5]-[C:6](-[c:7])=[C:8](-[c:9])-[N:10]-1	1	5585
+[C:1]-[c:2]:1:[c:3](-[O:4]-[C:5]):[n:6](-[C:7]-[C:8](=[O:9])-[O:10]):[n:11]:[c:12]:1>>[C:1]-[C:2]-1-[C:3](-[N:6](-[C:7]-[C:8](=[O:9])-[O:10])-[N:11]=[C:12]-1)=[O:13].[O:4]-[C:5]	1	5618
+[N:1]-1-[C:2](=[O:3])-[C:4](=[N:5]-[C:6])-[N:7]-[C:8]=[C:9]-1>>[N:1]-1-[C:2](=[O:3])-[C:4](=[N:7]-[C:8]=[C:9]-1)-[Br:10].[N:5]-[C:6]	1	5620
+[C:1]-[C:2]-[N:3]-1-[C:4]=[C:5](-[C:6])-[C:7]=[C:8]-[C:9]-1=[O:10]>>[C:1]-[C:2]-[I:11].[n:3]:1:[c:4]:[c:5](-[C:6]):[c:7]:[c:8]:[c:9]:1-[O:10]	1	5640
+[O:1]=[C:2]-[C:3]#[C:4]-[C:5]>>[O:1](-[C:2](-[C:3]#[C:4]-[C:5])-[O:8]-[C:7]-[C:6])-[C:9]-[C:10]	1	5664
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1-[C:11]>>[C:1]-[C:2](=[N:3])-[O:13]-[C:12].[c:4]:1(:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10]-[C:11])-[N:14]	1	5665
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:1:2>>[C:6](-[C:7](-[O:12]-[C:11]-[C:10])-[O:13]-[C:14]-[C:15])-[Br:16].[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:9]:1-[N:8]	1	5678
+[C:1]-[P:2](-[O:3])-[O:4]>>[C:1]-[P:2](-[O:3]-[C:12]-[C:13])(=[O:4])-[C:8](-[O:7]-[C:6]-[C:5])-[O:9]-[C:10]-[C:11]	1	5681
+[O:1]-[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6](:[c:7]:1:[c:8]):[c:9])-[C:10]>>[O:1]=[C:2](-[c:7](:[c:6](-[C:5](-[C:10])=[O:14]):[c:9]):[c:8])-[O:13]-[C:12]-[C:11].[N:3]-[N:4]	1	5683
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5](:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:[c:11]:1)-[O:12]>>[C:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:12])-[O:14]-[C:13])=[C:11]-[N:10]-[c:9](:[c:6]:[c:7]):[c:8]	1	5685
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:12])-[N:7](-[C:8])-[C:9](=[O:10])-[c:11]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:12])-[N:7]-[C:8].[C:9](=[O:10])(-[c:11])-[O:13]	1	5687
+[c:1]:[c:2]-1:[c:3](:[c:4])-[N:5]=[C:6]-[N:7]-2-[C:8](=[O:9])-[C:10](-[C:11](=[O:12])-[O:13])=[C:14]-[N:15]=[C:16]-1-2>>[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[n:7]:[c:16]:1-[N:15]-[C:14]=[C:10](-[C:8](=[O:9])-[O:18]-[C:17])-[C:11](=[O:12])-[O:13]	1	5688
+[O:1]-[C:2](=[O:3])-[C:4]-1(-[C:5](=[O:6])-[O:7])-[C:8]-[C:9]-1(-[C:10])-[c:11]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:7])=[N+:13]=[N-:12].[C:8]=[C:9](-[C:10])-[c:11]	1	5689
+[O:1]=[C:2]-1-[O:3]-[C:4](-[C:5])-[C:6](-[O:7])=[C:8]-1>>[O:1]=[C:2](-[C:8]=[C:6]-[O:7])-[O:10]-[C:9].[O:3]=[C:4]-[C:5]	1	5696
+[c:1]:1:[c:2]:2-[N:3]-[C:4](=[O:5])-[C:6]-[C:7](=[O:8])-[n:9]:2:[n:10]:[c:11]:1>>[C:4](=[O:5])(-[C:6]-[C:7](=[O:8])-[O:14]-[C:15])-[O:13]-[C:12].[c:1]:1:[c:2](-[N:3]):[n:9]:[n:10]:[c:11]:1	1	5697
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6]:2:[c:7]:[n:8]:[c:9]:[c:10]:[c:11]:2:[n:12]:[c:13]:1-[O:14]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:13](=[O:14])-[O:16]-[C:15].[C:5](-[c:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:[c:11]:1-[N:12])=[O:17]	1	5698
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:7])-[c:8]:1:[n:9]:[c:10]:[n:11]:[c:12]:[c:13]:1>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:7].[c:8]:1(:[n:9]:[c:10]:[n:11]:[c:12]:[c:13]:1)-[Cl:14]	1	5702
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6])-[C:7](=[O:8])-[O:9]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:7](=[O:8])-[O:9].[C:5](-[c:6])=[O:10]	1	5703
+[N:1](-[c:2]:[c:3]:[s:4])-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(=[C:7])-[O:9]-[C:8].[N:1]-[c:2]:[c:3]:[s:4]	1	5707
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]-[O:4].[O:3]=[C:6](-[O:5])-[O:7]	1	5725
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[s:7]:1>>[c:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[s:7]:1)-[Cl:8]	1	5729
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1:[n:9]):[s:10]>>[c:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1:[n:9]):[s:10])-[Cl:11]	1	5740
+[C:1]-[N:2]=[C:3]=[S:4]>>[C:1]-[N:2].[C:3](=[S:4])(-[n:7]:1:[c:6]:[c:5]:[n:14]:[c:13]:1)-[n:8]:2:[c:9]:[c:10]:[n:11]:[c:12]:2	1	5780
+[C:1]-[C:2]-[C:3](-[O:4])(-[c:5])-[C:6]>>[C:1]-[C:2]-[Cl:7].[C:3](=[O:4])(-[c:5])-[C:6]	1	5789
+[C:1]-[C:2]-[C:3](-[O:4])(-[c:5])-[C:6]>>[C:1]-[C:2]-[Mg:8]-[Cl:7].[C:3](=[O:4])(-[c:5])-[C:6]	1	5792
+[n:1]:[c:6](:[c:2])-[C:5]=[C:3]-[c:4]>>[n:1]:[c:6](:[c:2])-[C:5]=[O:15].[C:3](-[c:4])-[P+:20](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:19]:2:[c:13]:[c:14]:[c:16]:[c:17]:[c:18]:2)-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:3	1	5813
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+[O:1]-[C:2]-[n:3]:1:[c:4](:[c:5](:[s:6]):[c:8]:[c:9]:1):[c:7]>>[O:1]-[C:2]-[Cl:10].[n:3]:1:[c:4](:[c:5](:[s:6]):[c:8]:[c:9]:1):[c:7]	1	5868
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+[c:1]:1:[n:2]:[c:3]:[c:4](:[n:5]:[c:6]:1)-[I:7]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1.[I:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	1	5874
+[C:1](=[O:2])-[N:3]-[O:4]>>[C:1](=[O:2])-[N:3]-[O:4]-[C:8]-1-[C:7]-[C:6]-[C:5]-[C:10]-[O:9]-1	1	5884
+[c:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6](-[C:7](=[O:8])-[O:9]):[c:10]:1-[N:11]):[n:12]>>[C:5](=[C:6](-[C:7](=[O:8])-[O:9])-[C:10]#[N:11])-[O:15]-[C:14]-[C:13].[c:1]:[c:2](-[N:3]-[N:4]):[n:12]	1	5887
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[c:5](-[C:6]#[N:7]):[c:8]:[n:9]:[c:10]:2:[s:11]:1)-[O:12]>>[C:4](-[C:5](-[C:6]#[N:7])=[C:8]-[O:16]-[C:15]-[C:14])(=[O:12])-[O:17]-[C:18]-[C:13].[c:1]:1:[c:2]:[c:3]:[c:10](-[N:9]):[s:11]:1	1	5891
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+[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:7])-[c:8]:1:[c:9]:[s:10]:[c:11](-[N:12]):[n:13]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:7])-[C:8](-[C:9]-[Cl:15])=[O:14].[S:10]=[C:11](-[N:12])-[N:13]	1	5896
+[O:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[s:8]:2):[c:9](-[c:10]):[n:11]:1>>[O:1]=[C:2](-[N:11])-[O:12]-[C:15]-[C:14].[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[s:8]:1)-[C:9](-[c:10])=[O:13]	1	5900
+[N:1](-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1)=[C:10]>>[N:1](-[C:2](-[O:14]-[C:13]-[C:12])=[O:15])=[C:10].[n:4](:[c:5]:[c:6]):[c:8](:[c:7])-[N:9].[N:3]-[O:11]	1	5905
+[C:1]-1(-[C:2]-[C:3](-[C:4](=[O:5])-[O:6])=[N:7]-[N:8]-1-[c:9])=[O:10]>>[C:1](-[C:2]#[C:3]-[C:4](=[O:5])-[O:6])(=[O:10])-[O:13]-[C:12]-[C:11].[N:7]-[N:8]-[c:9]	1	5912
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6]:[c:7](-[C:8]#[N:9]):[c:10]:1-[O:11]>>[c:1]:[c:2]:[c:3](:[c:4])-[N:5]-[C:6]=[C:7](-[C:8]#[N:9])-[C:10](=[O:11])-[O:14]-[C:13]-[C:12]	1	5913
+[N:1]-[C:2](-[C:3]-[C:4]=[C:5])=[O:6]>>[C:2](-[C:3]-[C:4]=[C:5])(=[O:6])-[O:9]-[C:8]-[C:7].[N:1]	1	5914
+[c:1]-[C:2](-[C:3](=[O:4])-[c:5])-[C:7](-[O:6])=[O:8]>>[c:1]-[C:2]-[C:7](-[O:6])=[O:8].[C:3](=[O:4])(-[c:5])-[Cl:9]	1	5933
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[s:6]:[c:7]:[c:8]:1>>[c:1]:1:[c:2]:[s:6]:[c:7]:[c:8]:1.[c:3](:[c:4])(:[c:5])-[I:9]	1	5941
+[O:1]-[C:2]-[N:3](-[C:4](=[O:5])-[C:6])-[c:7]>>[O:1]-[C:2]-[Cl:8].[N:3](-[C:4](=[O:5])-[C:6])-[c:7]	1	5949
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5]-[C:6]-[C:7]-1=[O:8]>>[C:1]-[N:2].[C:3]-1(-[O:4]-[C:7](-[C:6]-[C:5]-1)=[O:8])=[O:9]	1	5961
+[C:1]-[C:2]-[P:3](=[O:4])(-[O:5])-[O:6]>>[C:1]-[C:2]-[I:9].[P:3](-[O:4]-[C:8]-[C:7])(-[O:5])-[O:6]	1	5968
+[C:1]-[S:2]-[C:3](-[c:4])(-[c:5])-[c:6]>>[C:1]-[S:2].[C:3](-[c:4])(-[c:5])(-[c:6])-[Cl:7]	1	5978
+[S:1]-[N:2](-[c:3](:[c:4]):[o:5])-[C:7]-[O:6]>>[O:6]-[C:7]-[Cl:8].[S:1]-[N:2]-[c:3](:[c:4]):[o:5]	1	5985
+[C:1]-[N:2](-[C:3]-[C:4])-[c:5]:[c:7]:[n:6]>>[C:1]-[N:2]-[c:5]:[c:7]:[n:6].[C:3](-[C:4])=[O:8]	1	5998
+[n:1]:[c:2](-[C:3]-[C:4]-[O:5]):[c:6]>>[n:1]:[c:2](-[C:3]):[c:6].[C:4]=[O:5]	1	5999
+[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5]:[n:6]:1>>[c:1]:1:[c:2](:[c:3]):[n:4](:[c:5]:[n:6]:1)-[C:12]-[O:11]-[C:10]-[C:9]-[O:8]-[C:7]	1	6004
+[s:1]:[c:2](-[N:3]-[C:4]-[C:5]):[n:6]>>[s:1]:[c:2](-[N:3]):[n:6].[C:4](-[C:5])=[O:7]	1	6014
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]=[C:7]-[c:8](:[c:9]:[s:10]):[n:11]>>[C:7](-[c:8](:[c:9]:[s:10]):[n:11])-[P:15](-[O:14]-[C:13]-[C:12])(=[O:16])-[O:17]-[C:18]-[C:19].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]=[O:20]	1	6023
+[C:1](-[c:2])-[P:4](-[O:3])(=[O:5])-[O:6]>>[O:3]-[P:4](=[O:5])(-[O:6])-[O:10]-[C:9]-[C:8].[C:1](-[c:2])-[Br:7]	1	6025
+[c:1](:[c:2]):[n:7]:[c:4](:[c:3])-[C:5]-[O:6]-[C:9](-[C:8])=[O:10]>>[c:1](:[c:2]):[n+:7](:[c:4](:[c:3])-[C:5])-[O-:11].[O:6]-[C:9](-[C:8])=[O:10]	1	6026
+[O:1]-[c:2]>>[O:1](-[c:2])-[C:5](-[C:4]-[C:3])=[O:6]	1	6028
+[O:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[c:6]:[c:7]:[c:8]:1>>[O:1]-[c:2]:1:[c:8]:[c:7]:[c:6]:[c:22](-[C:21]=[O:20]):[c:23]:1.[c:3]:1:[c:4](-[C:5]):[c:13]:[c:12](-[O:11]-[C:10]-[C:9]):[c:18](:[c:14]:1-[O:15]-[C:16]-[C:17])-[F:19]	1	6040
+[C:1](-[c:2])(=[N:3]-[S:7])-[c:6]:[c:4]:[n:5]>>[C:1](-[c:2])(-[c:6]:[c:4]:[n:5])=[O:8].[N:3]-[S:7]	1	6052
+[C:1](-[c:2])(-[c:6](:[c:3]:[n:4]):[c:5])=[O:7]>>[C:1](-[c:2])(=[O:7])-[Cl:9].[c:3](:[n:4]):[c:6](:[c:5])-[Br:8]	1	6053
+[C:1]-[C:2](-[C:3])(-[C:4])-[c:6](:[c:5]):[c:7]>>[C:1]-[C:2](=[C:3])-[C:4].[c:5]:[c:6](:[c:7])-[I:8]	1	6057
+[N:1]=[C:2]-1-[N:3]-[C:4](-[c:5])(-[c:6]:2:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:2)-[c:12]:[c:14]-1:[n:13]>>[c:6]:1(:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Br:15].[N:1]#[C:2]-[c:14](:[c:12]-[C:4](=[N:3]-[S:20](-[C:17](-[C:16])(-[C:18])-[C:19])=[O:21])-[c:5]):[n:13]	1	6067
+[O:1]-[C:2](=[O:3])-[N:4]=[S:5]>>[N:4]=[S:5].[O:1]-[C:2](=[O:3])-[Cl:6]	1	6069
+[c:1]-[C:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[C:2]-[Zn+:6].[c:3](:[c:4])(:[c:5])-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1	1	6088
+[c:1]:1:[n:2]:[n:3]:[n:4]:[n:5]:1-[C:6](-[c:7])(-[c:8])-[c:9]>>[c:1]:1:[n:2]:[n:3]:[n:4]:[n:5]:1.[C:6](-[c:7])(-[c:8])(-[c:9])-[Cl:10]	1	6092
+[c:1]:[c:2](-[C:3]-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1):[n:9]>>[c:1]:[c:2](-[C:3]-[Cl:10]):[n:9].[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1	1	6113
+[c:1](:[c:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[c:8]):[n:9]>>[c:1](:[c:2]-[C:3](=[O:4])-[Cl:10]):[n:9].[N:5]-[c:6](:[n:7]):[c:8]	1	6147
+[c:1](:[n:2]):[c:4](:[n:3])-[N:5]>>[c:1](:[n:2]):[c:4](:[n:3])-[N:5]-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8](-[O:7]-[C:6]):[c:16]:[c:13]:1-[O:14]-[C:15]	1	6162
+[c:1]-[C:2]-[N:3](-[N:4]-[C:5]=[O:6])-[c:7]>>[c:1]-[C:2]-[Br:8].[N:3](-[N:4]-[C:5]=[O:6])-[c:7]	1	6163
+[c:1]-[O:2]-[C:3](-[c:4])-[c:5]>>[c:1]-[O:2].[C:3](-[c:4])(-[c:5])-[O:6]	1	6167
+[N:1]-[c:2](:[n:3]):[c:4]>>[N:1](-[c:2](:[n:3]):[c:4])-[C:11](=[O:12])-[c:13]:1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[F:10]	1	6177
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:1:2>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:9]:1-[N:8].[C:6](-[C:7]=[O:10])-[Cl:11]	1	6193
+[c:1]:1:[c:2](:[c:3]:[n:4]:[n:5]:1):[c:7](:[c:6])-[C:8](-[C:9])=[O:10]>>[c:1]:1:[c:2](:[c:3]:[n:4]:[n:5]:1):[c:7](:[c:6])-[C:13](-[O:12]-[C:11])=[O:14].[C:8](-[C:9])(=[O:10])-[O:15]-[C:16]	1	6198
+[n:1]:[c:2]:[c:3](-[N:4]-[C:5](=[O:6])-[c:7]:1:[c:8](:[n:9]):[n:10]:[n:11]:[c:12]:1):[s:13]>>[C:5](=[O:6])(-[c:7]:1:[c:8](:[n:9]):[n:10]:[n:11]:[c:12]:1)-[Cl:14].[n:1]:[c:2]:[c:3](-[N:4]):[s:13]	1	6206
+[O:1]=[C:2](-[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)-[c:9]:2:[c:10](:[n:11]):[n:12]:[n:13]:[c:14]:2>>[O:1]=[C:2](-[c:9]:1:[c:10](:[n:11]):[n:12]:[n:13]:[c:14]:1)-[Cl:15].[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1	1	6208
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-[C:10]>>[N:8]#[C:9]-[C:10].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:18]-[C:16](-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14])=[O:17]	1	6212
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[c:5]:[n:6]:[c:7]:[c:8]:[n:9]:2):[c:10]:[n:11]:1>>[c:4]:1(:[c:5]:[n:6]:[c:7]:[c:8]:[n:9]:1)-[Br:12].[n:1]:1:[c:2]:[c:3](:[c:10]:[n:11]:1)-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21]	1	6213
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[c:6](:[c:7]):[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[c:6](:[c:7])(:[c:8])-[B:10](-[O:9])-[O:11]	1	6225
+[C:1](-[N:2]-[C:3]-[Si:4](-[C:5])(-[C:6])-[C:7])(-[c:8])=[O:9]>>[C:1](-[c:8])(=[O:9])-[O:10].[N:2]-[C:3]-[Si:4](-[C:5])(-[C:6])-[C:7]	1	6227
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5]:[c:6](-[N:7]-[c:8](:[n:9]):[c:10]):[n:11]:[c:12]:1-[O:13]>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5]-[C:6]#[N:11])-[C:12](=[O:13])-[O:14].[N:7]-[c:8](:[n:9]):[c:10]	1	6262
+[C:1]-[S:2](-[C:3])=[N:4]-[C:5](=[O:6])-[C:7]>>[C:1]-[S:2]-[C:3].[N:4]-[C:5](=[O:6])-[C:7]	1	6263
+[c:1]:1:[n:2]:[n:3](-[C:4](=[O:5])-[c:6]):[c:7](:[c:8]):[c:10]:1:[n:9]>>[c:1]:1:[n:2]:[n:3]:[c:7](:[c:8]):[c:10]:1:[n:9].[C:4](=[O:5])(-[c:6])-[Cl:11]	1	6264
+[C:1]=[C:2]-[c:3]:1:[n:4]:[c:5](-[C:6]):[n:7]:[o:8]:1>>[N:4]-[C:5](-[C:6])=[N:7]-[O:8].[C:1]=[C:2]-[C:3](=[O:9])-[O:10]	1	6276
+[N:1]#[C:2]-[C:3]-[c:4]>>[C:3](-[c:4])-[O:5].[N:1]#[C:2]	1	6295
+[C:1](=[O:2])(-[C:3])-[O:7]-[C:6]>>[C:1](=[O:2])(-[C:3])-[O:7].[C:4]-[O:11]-[C:10](-[O:5]-[C:6])-[O:9]-[C:8]	1	6315
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5]=[C:6](-[O:7])-[C:8]=[C:9]-1-[C:10]>>[C:1]-[N:2].[C:3]-1(=[O:4])-[C:5]=[C:6](-[O:7])-[C:8]=[C:9](-[C:10])-[O:11]-1	1	6323
+[c:1]-[C:2]-[C:3](-[C:4])-[c:6]:[c:5]:[n:7]>>[C:3](-[C:4])(-[c:6]:[c:5]:[n:7])=[O:10].[c:1]-[C:2]-[Mg:9]-[Br:8]	1	6337
+[c:1]:1:[n:2]:[n:3](-[C:4]-[c:5]:[c:7]:[n:6]):[c:8](:[c:9]):[c:10]:1>>[C:4](-[c:5]:[c:7]:[n:6])-[Br:11].[c:1]:1:[n:2]:[n:3]:[c:8](:[c:9]):[c:10]:1	1	6357
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](=[O:3])-[O:4]	1	6374
+[n:1]:[c:4](-[C:3]-[N:2]=[N+:7]=[N-:6]):[c:5]>>[n:1]:[c:4](-[C:3]-[O:8]):[c:5].[N-:2]=[N+:7]=[N-:6]	1	6389
+[c:1]-[C:2]=[C:3]-1-[c:8](:[c:6]-[C:4](=[O:5])-[O:9]-1):[c:7]>>[c:1]-[C:2]-[C:3](-[O:9])=[O:13].[C:4]-1(=[O:5])-[c:6]:[c:8](:[c:7])-[C:11](=[O:10])-[O:12]-1	1	6401
+[O:1]=[C:2]-1-[C:3]=[C:4]-[C:5](-[C:6])=[C:7]-[N:8]-1-[C:9]-[c:10]>>[C:9](-[c:10])-[Br:11].[O:1](-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]):[c:7]:[n:8]:1)-[C:12]	1	6406
+[C:1](=[O:2])(-[C:3]-[S:4]-[c:5]:1:[n:6]:[c:7]:[c:8]:[n:9]:1-[c:10])-[O:11]>>[S:4]=[C:5]-1-[N:6]-[C:7]=[C:8]-[N:9]-1-[c:10].[C:1](=[O:2])(-[C:3]-[Br:12])-[O:11]	1	6411
+[c:1]-[C:4](-[C:3](-[C:2])=[O:7])-[C:5]-[c:6]>>[C:5](-[c:6])-[Br:8].[c:1]-[C:4]-[C:3](-[C:2])=[O:7]	1	6431
+[c:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:[s:7]:1>>[c:1]-[C:2](-[N:3])=[S:7].[C:4](-[C:5])(-[C:6]-[Br:9])=[O:8]	1	6441
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](-[C:6]):[s:8]:1)-[C:7]>>[c:1]-[C:2](-[N:3])=[S:8].[C:4](-[C:5](-[C:6])=[O:9])(-[C:7])-[Cl:10]	1	6445
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+[O:1]=[C:2](-[O:3])-[c:4]:1:[c:5]:[n:6]:[c:7]:2:[n:8]:[c:9]:[c:10]:[c:11]:[c:12]:2:[c:13]:1-[O:14]>>[O:1]=[C:2](-[O:3])-[C:4]-1=[C:5]-[N:6](-[c:7]:2:[n:8]:[c:9]:[c:10]:[c:11]:[c:12]:2-[C:13]-1=[O:14])-[C:21]-[c:20]:3:[c:19]:[c:18]:[c:17](-[O:16]-[C:15]):[c:25]:[c:22]:3-[O:23]-[C:24]	1	6465
+[O:1]-[c:2]:1:[c:3](-[c:4]:[c:6]:[n:5]):[c:7](-[O:8]):[n:9]:[c:10]:2:[n:11]:[c:12]:[c:13]:[n:14]:[c:15]:1:2>>[O:1]=[C:2](-[c:15]:1:[c:10](-[N:9]-[C:7](-[C:3]-[c:4]:[c:6]:[n:5])=[O:8]):[n:11]:[c:12]:[c:13]:[n:14]:1)-[O:17]-[C:16]	1	6472
+[c:1]-[c:2]:1:[n:3]:[c:4](-[O:5]):[n:6]:[c:7](-[c:8]):[c:9]:1>>[c:1]-[C:2](-[C:9]=[C:7]-[c:8])=[O:10].[N:3]-[C:4](=[O:5])-[N:6]	1	6504
+[N:1]#[C:2]-[C:3]-1=[C:4](-[N:5])-[c:6]:2:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:2-[N:12](-[C:13]-[c:14])-[C:15]-1=[O:16]>>[C:13](-[c:14])-[Br:17].[N:1]#[C:2]-[c:3]:1:[c:4](-[N:5]):[c:6]:2:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:2:[n:12]:[c:15]:1-[O:16]	1	6514
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:17].[c:3]:1(:[c:4]:[c:5]:[n:6]:[n:7]:1)-[B:12]-2-[O:11]-[C:9](-[C:10])(-[C:14](-[O:13]-2)(-[C:15])-[C:16])-[C:18]	1	6528
+[c:1]-[N:2]-1-[C:3]-[c:4]:[c:5]-[C:6]-1=[O:7]>>[C:3](-[c:4]:[c:5]-[C:6](=[O:7])-[O:9]-[C:8])-[Br:10].[c:1]-[N:2]	1	6584
+[C:1]-[N:2]-1-[C:3]-[c:4]:[c:5]-[C:6]-1=[O:7]>>[C:3](-[c:4]:[c:5]-[C:6](=[O:7])-[O:10]-[C:9]-[C:8])-[Br:11].[C:1]-[N:2]	1	6586
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[O:6]):[c:7]:2:[c:8]:[c:9]:[c:10]:[n:11]:[c:12]:2:[n:13]:[c:14]:1-[O:15]>>[C:1]-[C:2](=[O:3])-[C:4]-[C:14](-[N:13]-[c:12]:1:[c:7](-[C:5](=[O:6])-[O:17]-[C:16]):[c:8]:[c:9]:[c:10]:[n:11]:1)=[O:15]	1	6614
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[Cl:8].[C:1]-[N:2]	1	6620
+[c:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]):[o:7])-[C:8]>>[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[Cl:9].[c:1]-[N:2]-[C:8]	1	6622
+[c:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[N:6]=[C:7]>>[O:5]-[N:6]=[C:7].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	6625
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5](:[c:6]):[s:7]):[c:8]>>[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[Cl:9].[c:1]:[c:2]:[c:8]	1	6627
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[c:7](:[c:8]):[s:9])-[c:10]>>[C:5](=[O:6])(-[c:7](:[c:8]):[s:9])-[Cl:11].[N:1]-[C:2](=[O:3])-[C:4]-[c:10]	1	6628
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[c:6])-[c:7](:[c:8]):[s:9]>>[O:1]=[C:2](-[c:7](:[c:8]):[s:9])-[Cl:10].[N:3]-[c:4](:[n:5]):[c:6]	1	6630
+[c:1]:[n:5](:[c:3](:[c:2]):[c:4])-[N:6]=[C:7](-[C:8])-[C:9]>>[c:1]:[n:5](:[c:3](:[c:2]):[c:4])-[N:6].[C:8]-[C:11]#[N:10].[C:7](-[C:9])(=[O:12])-[O:13]	1	6665
+[C:1]-[c:2]:1:[c:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[c:9]:1-[C:10](=[O:11])-[O:12]>>[n:4](:[c:5]:[c:6]):[c:8](:[c:7])-[C:9]-[C:10](=[O:11])-[O:12].[C:1]-[C:2](-[C:3]-[Br:14])=[O:13]	1	6669
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[C:7]):[c:8]:[n:9]>>[N:6]-[C:7].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[Cl:10]):[c:8]:[n:9]	1	6680
+[n:1]:[c:2]:[c:3]-[C:4]-[N:5]-[C:6]>>[N:5]-[C:6].[n:1]:[c:2]:[c:3]-[C:4]-[Br:7]	1	6686
+[C:1]-[C:2]-1=[C:3]-[C:4]=[C:5](-[C:6])-[N:7](-[C:8])-[C:9]-1=[O:10]>>[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]):[n:7]:[c:9]:1-[O:10].[C:8]-[I:11]	1	6717
+[C:1]=[C:2]-[n:3](:[c:4]:[c:5]):[n:6]>>[C:1](-[C:2]-[n:3](:[c:4]:[c:5]):[n:6])-[Cl:7]	1	6723
+[C:1]-[C:2](-[C:3])=[C:4]-[O:5]-[C:6]>>[C:1]-[C:2](-[C:3])=[C:4]-[O:5].[C:6]-[O:7]	1	6726
+[c:1]-[N:2]-[C:3]-1=[C:4](-[C:5](=[O:6])-[C:7]-1=[O:8])-[O:9]>>[C:3]-1(=[C:4](-[C:5](=[O:6])-[C:7]-1=[O:8])-[O:9])-[O:11]-[C:10].[c:1]-[N:2]	1	6727
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]-1=[C:7](-[C:8])-[N:9]-[N:10]-[C:11]-1=[O:12]):[n:13]):[n:14]>>[N:5]-[C:6]-1=[C:7](-[C:8])-[N:9]-[N:10]-[C:11]-1=[O:12].[c:1](:[c:2](-[C:3](=[O:4])-[O:15]):[n:13]):[n:14]	1	6730
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](:[n:6]:[c:7](-[C:8]#[N:9]):[c:10](-[Cl:11]):[c:12]:1)-[Cl:13]>>[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[N+:6](-[C:7](=[C:8]=[N-:9])-[C:10](-[Cl:11])=[C:12]-1)=[O:14])-[Cl:13]	1	6734
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[c:6]):[n:7]:[c:8](-[C:9]#[N:10]):[c:11](-[Cl:12]):[c:13]:1>>[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[c:6])-[N+:7](-[C:8](=[C:9]=[N-:10])-[C:11](-[Cl:12])=[C:13]-1)=[O:14]	1	6735
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](:[c:7]:1-[C:8](=[O:9])-[C:10])-[C:11]>>[c:1]:[c:2]:[c:3](:[c:4])-[N:5]-[C:6](=[C:7]-[C:8](=[O:9])-[C:10])-[C:11]	1	6736
+[C:1]=[C:2]-[C:3]-[C:4]-[O:5]>>[C:1]=[C:2]-[C:3]-[C:4](-[O:5])=[O:6]	1	6737
+[O:1]=[C:2]-1-[C:3](-[N:4]-[C:5])=[N:6]-[C:7]=[C:8](-[Cl:9])-[N:10]-1.[C:11]-[O:16]-[S:13](-[C:12])(=[O:14])=[O:15]>>[O:1]=[C:2]-1-[C:3](=[N:4]-[C:5])-[N:6]-[C:7]=[C:8](-[Cl:9])-[N:10]-1.[C:11]-[O:16].[C:12]-[S:13](=[O:14])(=[O:15])-[Cl:17]	1	6741
+[O:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[O:6]-[C:7]-[C:8]):[c:9](:[c:10]:1-[Cl:11])-[Cl:12]>>[O:1]=[C:2]-1-[N:3]-[N:4]-[C:5](=[O:6])-[C:9](=[C:10]-1-[Cl:11])-[Cl:12].[C:7](-[C:8])-[Br:13]	1	6745
+[N:1]-[C:8](-[C:5](=[C:4](-[C:2])-[C:3])-[C:6](=[O:7])-[O:10])=[O:9]>>[N:1]-[C:8](-[C:5](=[C:4](-[C:2])-[C:3])-[C:6]#[N:13])=[O:9].[O:10]-[C:12]-[C:11].[O:7]	1	6746
+[O:1]=[C:2]-1-[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[N:8]-[C:9]-1=[O:10]>>[O:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:[c:9]:1-[O:10]	1	6747
+[N:1]-1-[C:2](=[O:3])-[N:4]=[N:5]-[C:6]-1=[O:7]>>[N:1]-1-[C:2](=[O:3])-[N:4]-[N:5]-[C:6]-1=[O:7]	1	6754
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[C:6])-[N:7]-[C:8](=[C:9](-[C:10](=[O:11])-[C:12])-[C:14]-1-[c:15](:[n:16]):[c:17])-[C:13]>>[C:8](-[C:9]-[C:10](=[O:11])-[C:12])(-[C:13])=[O:18].[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:19].[N:7].[C:14](-[c:15](:[n:16]):[c:17])=[O:20]	1	6756
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[s:6]:1)-[C:7](=[O:8])-[C:9])-[C:10]>>[C:4](-[C:5](-[C:7](=[O:8])-[C:9])-[Br:12])(-[C:10])=[O:11].[C:1]-[C:2](-[N:3])=[S:6]	1	6764
+[c:1]:[c:2](-[N:3]=[C:4]):[c:5]:[n:6]>>[c:1]:[c:2](:[c:5]:[n:6])-[Br:7].[N:3]=[C:4]	1	6769
+[O:1]=[C:2]-[N:3]-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]>>[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Br:9].[O:1]=[C:2]-[N:3]	1	6771
+[C:1]-1-[C:2]=[C:3](-[N:4](-[C:5]-[C:6])-[C:7](=[O:8])-[N:9]-1)-[Cl:10]>>[C:1]-1-[C:2]=[C:3](-[N:4]-[C:7](=[O:8])-[N:9]-1)-[Cl:10].[C:5](-[C:6])-[Br:11]	1	6780
+[C:1]-1-[C:2](=[O:3])-[N:4](-[C:5]-[c:6])-[C:7](=[O:8])-[N:9]-1>>[C:1]-1-[C:2](=[O:3])-[N:4]-[C:7](=[O:8])-[N:9]-1.[C:5](-[c:6])-[Cl:10]	1	6782
+[N:1]-[N:2](-[C:3](=[O:4])-[C:5](=[O:6])-[N:7])-[c:8]>>[N:2](-[C:3](=[O:4])-[C:5](=[O:6])-[N:7])-[c:8].[N:1]-[O:13]-[S:10](=[O:9])(=[O:11])-[O:12]	1	6789
+[c:1]:1-[C:2](-[N:3]-[C:4](-[c:5]:1)=[O:7])=[O:6]>>[c:1]:1-[C:2](=[O:6])-[O:8]-[C:4](-[c:5]:1)=[O:7].[N:3]-[C:10]=[O:9]	1	6792
+[O:1]=[C:2]-1-[N:3]-[N:4]-[C:5](-[c:6]:[c:7]-1)=[O:8]>>[O:1]=[C:2]-1-[c:7]:[c:6]-[C:5](=[O:8])-[O:9]-1.[N:3]-[N:4]	1	6794
+[c:1](-[C:2](=[O:3])-[O:4]):[c:5]-[N:6]>>[c:1]:1-[C:2](=[O:4])-[C:7](=[O:3])-[N:6]-[c:5]:1	1	6803
+[c:1]-[N:5](-[C:3](-[C:2]=[O:8])=[O:4])-[C:6]-[C:7]>>[c:1]-[N:5]-[C:3](-[C:2]=[O:8])=[O:4].[C:6](-[C:7])-[I:9]	1	6810
+[C:1](=[O:2])(-[c:3]:1:[n:4]:[n:5]:[c:6](:[c:7]):[c:9]:1:[c:8])-[O:10]>>[C:1]-1(=[O:2])-[C:3](-[c:9](:[c:6](-[N:5]-1):[c:7]):[c:8])=[O:10].[N:4](=[O:11])-[O:12]	1	6811
+[C:1]=[C:2](-[C:3])-[C:4]-[N:5](-[C:6]=[O:7])-[C:8]=[O:9]>>[C:1]=[C:2](-[C:3])-[C:4]-[Br:10].[N:5](-[C:6]=[O:7])-[C:8]=[O:9]	1	6812
+[N:1]-[C:4](=[C:3](-[C:2])-[N:8])-[N:5]-[C:6](-[C:7])=[O:9]>>[N:1]-[C:4](=[C:3](-[C:2])-[N:8])-[N:5].[C:6](-[C:7])(=[O:9])-[O:10]	1	6843
+[N:1]-[C:2]=[C:3](-[C:4]-[C:5])-[C:6]=[C:7]>>[N:1]-[C:2]=[C:3](-[C:4](-[C:5])=[O:8])-[C:6]=[C:7]	1	6845
+[N:1]-1-[C:2]=[C:3]-[C:4]-2=[C:5](-[N:6]-[C:7](=[S:8])-[N:9](-[c:10])-[C:11]-2=[O:12])-[C:13]-1=[O:14]>>[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5](-[N:6])-[C:13]-1=[O:14])-[C:11](=[O:12])-[O:17]-[C:16]-[C:15].[C:7](=[S:8])=[N:9]-[c:10]	1	6846
+[N:1]-[C:2]=[C:3](-[C:4]#[C:5]-[C:6])-[C:7](=[O:8])-[N:9]>>[N:1]-[C:2]=[C:3](-[C:7](=[O:8])-[N:9])-[I:10].[C:4]#[C:5]-[C:6]	1	6850
+[C:1](=[O:2])-[O:3]-[C:4]-1=[C:5]-[C:6](=[O:7])-[C:8]-[C:9]-[C:10]-1>>[C:4]-1(-[C:6](-[C:5]-[C:8]-[C:9]-[C:10]-1)=[O:7])=[O:11].[C:1](=[O:2])-[O:3]	1	6852
+[C:1]-[N:2]=[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:6].[C:1]-[N:2]	1	6866
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[N:6]-[C:7]-[C:9](-[N:8])=[O:10]>>[N:6]-[C:7]-[C:9](-[N:8])=[O:10].[O:1]-[C:2](=[O:3])-[C:4](-[C:5])=[O:11]	1	6876
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:7](-[N:6])=[O:8]>>[N:4]-[C:5]-[C:7](-[N:6])=[O:8].[C:1]-[C:2](=[O:3])-[O:16]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	1	6877
+[C:1]-[C:2]-1=[N:3]-[c:4]:[c:5]-[C:6](=[O:7])-[N:8]-1-[C:9]-[C:11](-[N:10])=[O:12]>>[N:8]-[C:9]-[C:11](-[N:10])=[O:12].[N:3]-[c:4]:[c:5]-[C:6](=[O:7])-[O:15].[C:1]-[C:2](=[O:13])-[Cl:14]	1	6879
+[C:1](-[N:2]-1-[C:3](=[O:4])-[c:5]:[c:6]-[C:7]-1=[O:8])-[C:9](=[O:10])-[N:11]>>[C:1](-[N:2])-[C:9](=[O:10])-[N:11].[C:3](-[O:4])(-[c:5]:[c:6]-[C:7](-[O:8])=[O:13])=[O:12]	1	6882
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[P:6](=[O:7])(-[O:8]-[C:9])-[O:10]-[c:11]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[O:8]-[C:9].[P:6](=[O:7])(-[Cl:12])(-[Cl:13])-[Cl:14].[O:10]-[c:11]	1	6892
+[C:1]-[N:2]-[C:3](=[N:4]-[C:5]-[C:10](-[C:8]-[O:9])-[O:11])-[S:12].[C:6]-[O:7]>>[C:1]-[N:2]=[C:3](-[N:4]-[C:5]-[C:10](-[C:8]-[O:9]-[C:19](-[C:20])=[O:21])-[O:11]-[C:16](-[C:17])=[O:18])-[S:12].[C:6]-[O:7]-[C:14](-[C:13])=[O:15]	1	6893
+[N:1]-1-[C:2]=[C:3](-[C:4]#[C:5]-[C:6])-[C:7](=[N:8])-[N:9]-[C:10]-1=[O:11]>>[N:1]-1-[C:2]=[C:3](-[C:7](-[N:8])=[N:9]-[C:10]-1=[O:11])-[I:12].[C:4]#[C:5]-[C:6]	1	6894
+[c:1]:[c:5]:[n+:4]:[c:3](:[c:2])-[N:6]-[C:7]>>[N:6]-[C:7].[c:1]:[c:5]:[n+:4]:[c:3]:[c:2]	1	6896
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[n:6]:[o:7]:1>>[N:3]=[C:4](-[c:5])-[N:6]-[O:7].[c:1]-[C:2](=[O:8])-[Cl:9]	1	6902
+[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](-[C:6])(-[C:7])-[C:8]-1=[O:9]>>[C:5](-[C:6])(-[C:7])=[O:9].[N:1]#[C:8].[N:4].[C:2](-[O:3])(=[O:10])-[O:11]	1	6905
+[C:1]-[C:2]=[C:3]-[C:4]-[Br:5]>>[C:1]-[C:2]=[C:3]-[C:4].[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11]	1	6908
+[C:1]-[C:2]=[C:3](-[O:4]-[S:5](=[O:6])(=[O:7])-[C:8](-[F:9])(-[F:10])-[F:11])-[C:12]>>[C:1]-[C:2]-[C:3](=[O:4])-[C:12].[S:5](=[O:6])(=[O:7])(-[C:8](-[F:9])(-[F:10])-[F:11])-[N:16](-[S:14](=[O:13])(=[O:15])-[C:23](-[F:24])(-[F:25])-[F:26])-[c:17]:1:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:1	1	6912
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[Cl:6]>>[C:1]-[N:3]-[C:2].[C:4](=[O:5])(-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[O:13]-[C:14](-[Cl:7])(-[Cl:15])-[Cl:16].[Cl:6]	1	6914
+[c:1]-1:[c:2](:[n:3])-[N:4]-[C:5](=[O:6])-[n:7]:2:[n:8]:[c:9]:[n:10]:[c:11]-1:2>>[c:1](:[c:2](:[n:3])-[N:4]-[C:5](=[O:6])-[O:14]-[C:13]-[C:12])-[C:11]#[N:10].[N:7]-[N:8]-[C:9]=[O:15]	1	6923
+[c:1]:[c:2](:[n:3])-[N:4](-[C:5]-[c:6])-[C:7](=[O:8])-[n:9]>>[c:1]:[c:2](:[n:3])-[N:4]-[C:7](=[O:8])-[n:9].[C:5](-[c:6])-[Br:10]	1	6924
+[C:1]-[C:2](=[C:3]-[C:4](=[N:5]-[O:6])-[C:7])-[C:8]>>[C:1]-[C:2](=[C:3]-[C:4](-[C:7])=[O:9])-[C:8].[N:5]-[O:6]	1	6937
+[C:1]-[C:2]-[O:3]-[c:4]:1:[n:5]:[o:6]:[c:7]:[c:8]:1>>[O:3]=[C:4]-1-[N:5]-[O:6]-[C:7]=[C:8]-1.[C:1]-[C:2]-[O:9]	1	6945
+[C:1]-[N:2]-[C:3]-[C:4](=[C:5])-[C:7](-[N:6])=[O:8]>>[C:3](-[C:4](=[C:5])-[C:7](-[N:6])=[O:8])=[O:9].[C:1]-[N:2]	1	6946
+[C:1](-[C:2])(-[C:3]-[C:4](=[O:5])-[N:6]-[c:7])=[O:8]>>[C:1]-1(=[C:2])-[C:3]-[C:4](=[O:5])-[O:8]-1.[N:6]-[c:7]	1	6957
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Br:9]	1	6959
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](=[C:6](-[C:7])-[C:8])-[C:9]>>[O:4]-[C:5](=[C:6](-[C:7])-[C:8])-[C:9].[C:1]-[C:2](=[O:3])-[Cl:10]	1	6960
+[C:1]-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6](:[c:7]:1-[C:8](=[O:9])-[C:10])-[C:11]>>[C:1]-[C:2](-[C:7](-[C:6](-[C:11])=[O:13])-[C:8](=[O:9])-[C:10])=[O:12].[N:3]-[N:4]-[c:5]	1	6963
+[c:1]:1:[c:2]:2:[n:3]:[c:4]:[n:5](-[C:6]-[C:7]=[C:8]):[c:9]:2:[n:10]:[c:11]:[n:12]:1>>[C:4](-[O:14]-[C:13]-[C:21])(-[O:15]-[C:16]-[C:17])-[O:18]-[C:19]-[C:20].[c:1]:1:[c:2](-[N:3]):[c:9](-[N:5]-[C:6]-[C:7]=[C:8]):[n:10]:[c:11]:[n:12]:1	1	6964
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]:[n:7]:1)-[C:8](=[O:9])-[C:10])-[C:11]>>[C:4](-[C:5](=[C:6]-[N:13](-[C:12])-[C:14])-[C:8](=[O:9])-[C:10])(-[C:11])=[O:15].[N:1]-[C:2](-[N:3])=[N:7]	1	6967
+[O:1]-[C:2](=[C:3](-[C:4](-[C:5])=[N:6]-[O:7])-[C:8]=[O:9])-[C:10]>>[O:1]-[C:2](=[C:3](-[C:4](-[C:5])=[O:11])-[C:8]=[O:9])-[C:10].[N:6]-[O:7]	1	6970
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8](:[c:9]):[n:10]>>[C:6](=[O:7])(-[c:8](:[c:9]):[n:10])-[O:13]-[N:12]-1-[C:15](=[O:14])-[C:16]-[C:17]-[C:18]-1=[O:11].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]	1	6974
+[n:1]:[c:2](-[n:3]:1:[c:4]:[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]):[n:10]>>[n:1]:[c:2](-[N:3]-[c:7](:[c:6](-[N:5]):[c:9]):[c:8]):[n:10].[C:4](-[O:12]-[C:11])(-[O:13]-[C:14])-[O:15]-[C:16]	1	6985
+[C:1]-[C:2]-[c:3]>>[C:1]-[C:2](-[c:3])-[O:7]-[C:5](-[C:4])=[O:6]	1	6990
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]-[O:4].[O:3]=[S:8](-[O:5])(-[O:6])=[O:7]	1	6991
+[C:1]-[O:2]-[c:3]:1:[n:4]:[o:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:1]-[O:2].[C:3]-1(-[N:4]-[O:5]-[c:6](:[c:7]-1:[c:8]):[c:9])=[O:10]	1	7033
+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[C:4](=[O:5])(-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[O:14]-[C:12](=[O:11])-[O:13].[C:1]-[N:3]-[C:2]	1	7059
+[n:1]:[c:2]:[c:3]-[O:4]-[C:5](-[C:6])-[c:7]>>[n:1]:[c:2]:[c:3]-[O:4].[C:5](-[C:6])(-[c:7])-[Cl:8]	1	7080
+[N:1]-[C:2]=[C:3](-[N:4])-[C:5](=[O:6])-[N:7]>>[N:1]-[C:2]=[C:3](-[N+:4](=[O:8])-[O-:9])-[C:5](=[O:6])-[N:7]	1	7081
+[N:1]-[C:2]=[C:3](-[N:4]-[S:5](=[O:6])(=[O:7])-[C:8])-[C:9](=[O:10])-[N:11]>>[N:1]-[C:2]=[C:3](-[N:4])-[C:9](=[O:10])-[N:11].[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:12]	1	7082
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[C:1]-[C:2](-[N:3]-[O:9])=[N:7].[O:4]-[C:5](-[c:6])=[O:8]	1	7089
+[C:1]-[n:2]:1:[n:3]:[c:4](-[c:5](:[n:6]):[c:8]:[n:7]):[c:9]:[c:10]:1-[O:14]-[S:12](=[O:11])(=[O:13])-[C:15](-[F:16])(-[F:17])-[F:18]>>[C:1]-[N:2]-1-[N:3]=[C:4](-[c:5](:[n:6]):[c:8]:[n:7])-[C:9]-[C:10]-1=[O:14].[O:11]=[S:12](=[O:13])(-[C:15](-[F:16])(-[F:17])-[F:18])-[N:22](-[S:20](=[O:19])(=[O:21])-[C:29](-[F:30])(-[F:31])-[F:32])-[c:23]:1:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:1	1	7093
+[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[C:7]=[C:8]-1-[N:9]-[C:10]>>[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[C:7]=[C:8]-1-[Cl:11].[N:9]-[C:10]	1	7102
+[C:1]=[C:2](-[N:3]-[C:4](=[O:5])-[N:6]-[c:7])-[C:8](=[O:9])-[N:10]>>[C:1]=[C:2](-[N:3])-[C:8](=[O:9])-[N:10].[C:4](=[O:5])=[N:6]-[c:7]	1	7115
+[N:1]#[C:2]-[c:3](:[c:4]:[n:5]):[n:6]>>[N:1](=[C:2]-[c:3](:[c:4]:[n:5]):[n:6])-[O:7]	1	7118
+[C:1]-1=[C:2]-[C:3](=[O:4])-[N:5](-[C:6]-[O:7])-[C:8](=[O:9])-[N:10]-1>>[C:1]-1=[C:2]-[C:3](=[O:4])-[N:5]-[C:8](=[O:9])-[N:10]-1.[C:6](-[O:7])-[Cl:11]	1	7127
+[O:1]-[c:2]:1:[n:3]:[c:4](-[S:5]-[C:6]-[c:7]):[n:8]:[c:9]:[c:10]:1-[C:11](=[O:12])-[O:13]>>[O:1]=[C:2]-1-[N:3]-[C:4](=[S:5])-[N:8]-[C:9]=[C:10]-1-[C:11](=[O:12])-[O:13].[C:6](-[c:7])-[Cl:14]	1	7128
+[O:1]-[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:[c:7]:1-[O:8]>>[O:1]-[C:2]-1=[C:3]-[N:4]-[C:5](-[N:6]-[C:7]-1=[O:8])=[S:9]	1	7129
+[c:1]-[C:2]=[C:3](-[C:4](=[O:5])-[N:6])-[C:8](-[N:7])=[O:9]>>[C:3](-[C:4](=[O:5])-[N:6])-[C:8](-[N:7])=[O:9].[c:1]-[C:2]=[O:10]	1	7133
+[C:1]-[N:2]-1-[C:3]=[C:4](-[N+:5])-[C:6]-[N:7]-[C:8]-1=[O:9]>>[N:2]-1-[C:3]=[C:4](-[N+:5])-[C:6]-[N:7]-[C:8]-1=[O:9].[C:1]-[I:10]	1	7136
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[S:6]-[C:7]-[C:8]):[n:9]:[c:10]:1-[O:11]>>[C:1]-[C:2]-1=[C:3]-[N:4]-[C:5](=[S:6])-[N:9]-[C:10]-1=[O:11].[C:7](-[C:8])-[I:12]	1	7137
+[C:1]-1=[C:2]-[N:3](-[C:4]-[C:5])-[C:6](=[O:7])-[N:8]-[C:9]-1>>[C:1]-1=[C:2]-[N:3]-[C:6](=[O:7])-[N:8]-[C:9]-1.[C:4](-[C:5])-[Br:10]	1	7138
+[c:1]-[C:2]-1-[C:3]-2=[C:4](-[C:5]-[C:6]-[C:7]-2=[O:8])-[N:9]-[C:10]-3=[C:11]-1-[C:12](=[O:13])-[N:14]-[N:15]-3>>[N:9]-[C:10]-1=[C:11]-[C:12](=[O:13])-[N:14]-[N:15]-1.[C:3]-1-[C:4](-[C:5]-[C:6]-[C:7]-1=[O:8])=[O:16].[c:1]-[C:2]=[O:17]	1	7145
+[O:1]=[C:2]-1-[C:3]=[C:4]-[C:5](=[O:6])-[N:7]-1-[C:8]>>[N:7]-[C:8].[O:1]=[C:2]-1-[C:3]=[C:4]-[C:5](=[O:6])-[N:13]-1-[C:11](-[O:10]-[C:9])=[O:12]	1	7146
+[C:1]-[O:2]-[c:3]:1:[n:4]:[o:5]:[c:6](-[C:7](=[O:8])-[O:10]):[c:9]:1>>[C:3]-1(-[N:4]-[O:5]-[C:6](-[C:7](=[O:8])-[O:10])=[C:9]-1)=[O:11].[C:1]-[O:2]	1	7148
+[O:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:3:[n:8]:[c:9]:[n:10]:[c:11]:3:[c:12]:2:[n:13]:[c:14]:1-[O:15]>>[O:1]=[C:2]-1-[N:3]-[c:4]:2:[c:5]:[c:6]:[c:7](-[N:8]):[c:11](-[N:10]):[c:12]:2-[N:13]-[C:14]-1=[O:15].[C:9](=[O:16])-[O:17]	1	7161
+[C:1](-[C:2]=[O:3])-[Cl:4]>>[C:1]-[C:2]=[O:3].[Cl:4]-[I:6](=[O:5])=[O:7]	1	7166
+[N-:1]=[N+:2]=[N:3]-[C:4]-[C:5]=[O:6]>>[C:4](-[C:5]=[O:6])-[Cl:7].[N-:1]=[N+:2]=[N-:3]	1	7169
+[c:1]-[C:2](-[N:3]-[C:4])=[C:5]-[C:6](=[O:7])-[N:8]>>[c:1]-[C:2](=[C:5]-[C:6](=[O:7])-[N:8])-[O:9].[N:3]-[C:4]	1	7171
+[C:1]-[C:2](-[c:3])-[C:5](-[C:4])-[C:6]>>[C:1]-[C:2](-[c:3])=[C:5](-[C:4])-[C:6]	1	7173
+[c:1]-[N:2]-1-[C:3](=[O:4])-[C:5]=[C:6](-[C:7])-[C:8]-1=[O:9]>>[C:3]-1(=[O:4])-[C:5]=[C:6](-[C:7])-[C:8](=[O:9])-[O:10]-1.[c:1]-[N:2]	1	7176
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[c:6]>>[C:3]-1-[C:4]-[C:15](-[O:7]-[C:8])-[O:14]-[C:13]-1-[O:12]-[C:11].[N:5]-[c:6].[C:1](-[C:2])(=[O:9])-[O:10]	1	7179
+[C:1]-[C:2]-1=[C:3]-[C:4]=[C:5]-[N:6]-2-[C:7](=[O:8])-[C:9](-[C:10]-[C:11]-[Cl:16])=[C:12](-[C:13])-[N:14]=[C:15]-1-2>>[C:7]-1(=[O:8])-[C:9](-[C:10]-[C:11]-[O:22]-1)-[C:12](-[C:13])=[O:21].[Cl:16]-[P:18](=[O:17])(-[Cl:19])-[Cl:20].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:15]:1-[N:14]	1	7185
+[N:1]-[C:2](-[C:3])=[C:4](-[c:5](:[n:6]:[c:7]:[c:8]):[c:9])-[C:10](=[O:11])-[N:12]>>[N:1]-[C:2](-[C:3])=[C:4](-[C:10](=[O:11])-[N:12])-[Br:13].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Sn:18](-[C:17]-[C:16]-[C:15]-[C:14])(-[C:19]-[C:20]-[C:21]-[C:22])-[C:23]-[C:24]-[C:25]-[C:26]	1	7194
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]=[O:6]>>[N:3](-[C:4])-[C:5]=[O:6].[c:1]-[C:2]-[Br:7]	1	7209
+[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1>>[n:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:1)-[C:7](=[O:6])-[O:8]	1	7213
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]=[N:6]):[c:7]:[s:8]:1>>[C:4](-[C:5]=[N:6])(-[C:7]-[Cl:10])=[O:9].[C:1]-[C:2](-[N:3])=[S:8]	1	7219
+[n:1]:[c:2](-[c:3]:1:[n:4]:[c:5](-[C:6]#[N:7]):[c:8]:[c:9]:[c:10]:1):[c:11]:[s:12]>>[n:1]:[c:2](-[C:3]=1-[N+:4](-[C:5](=[C:6]=[N-:7])-[C:8]=[C:9]-[C:10]=1)=[O:13]):[c:11]:[s:12]	1	7247
+[C:1]-[C:2](=[C:3](-[F:4])-[F:5])-[C:6]>>[C:1]-[C:2](-[C:6])=[O:21].[C:3](-[F:4])(-[F:5])-[P:8](=[O:7])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2	1	7254
+[O:1]=[C:2]=[N:3]-[C:4](-[C:5])(-[C:6])-[c:7]>>[O:1]=[C:2](-[C:4](-[C:5])(-[C:6])-[c:7])-[O:8].[N:3](=[N+:10]=[N-:9])-[P:11](=[O:12])(-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)-[c:19]:2:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:2	1	7255
+[C:1]-[C:2]=[C:3]-[C:4]>>[C:1]-[C:2]-[C:3](-[C:4])-[O:5]	1	7256
+[N:1]-[C:10](-[C:5](=[C:4](-[C:2])-[C:3])-[C:6](=[O:7])-[N:8]-[C:9])=[O:11]>>[N:1]-[C:10](-[C:5](=[C:4](-[C:2])-[C:3])-[C:6](=[O:7])-[O:12])=[O:11].[N:8]-[C:9]	1	7259
+[c:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[c:6](:[c:7](-[C:8]):[n:10]:1)-[C:9]>>[S:3]=[C:4]-1-[N:5]-[C:6](=[C:7](-[C:8])-[N:10]-1)-[C:9].[c:1]-[C:2]-[Cl:11]	1	7263
+[C:1]-[n:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1>>[C:3]=1-[C:4]=[C:9]-2-[C:8]-[C:7]-[C:10]=1-[C:11]-2.[C:1]-[N:2]=[N+:6]=[N-:5]	1	7265
+[C:1]-[C:6](-[C:5]-[C:3](-[C:2])=[O:4])-[C:7]>>[C:1]-[C:6](=[C:5]-[C:3](-[C:2])=[O:4])-[C:7]	1	7268
+[C:1]-[O:2]-[C:3]-[c:4]:1:[c:5]:[o:6]:[n:7]:[c:8]:1>>[C:3](-[c:4]:1:[c:5]:[o:6]:[n:7]:[c:8]:1)-[Cl:9].[C:1]-[O:2]	1	7301
+[C:1]-[C:2](=[O:3])-[N:4]=[C:5](-[N:6]-[C:7])-[N:8]>>[C:1]-[C:2](=[O:3])-[O:9]-[C:10].[N:4]-[C:5](=[N:6]-[C:7])-[N:8]	1	7328
+[O:1]-[C:2]-[O:3]-[C:4]>>[O:3]-[C:4].[O:1]-[C:2]-[O:6]-[C:5]	1	7331
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5](-[C:6]#[C:7]-[C:8]):[n:9]:1>>[C:6]#[C:7]-[C:8].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5](:[n:9]:1)-[Cl:10]	1	7333
+[C:1]-[O:2]-[C:3](-[C:4])(-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])(-[C:6])-[Br:7].[C:1]-[O:2]	1	7336
+[c:1]:[c:2](-[C:3](-[C:4])(-[C:5])-[C:6]):[c:7]>>[C:3](-[C:4])(-[C:5])(-[C:6])-[Br:8].[c:1]:[c:2]:[c:7]	1	7337
+[C:1]-[O:2]-[C:3](=[C:4]-[C:5](=[C:6]-[C:7])-[C:8])-[C:9]>>[C:1]-[O:10].[O:2]=[C:3](-[C:4]=[C:5](-[C:6]-[C:7])-[C:8])-[C:9]	1	7353
+[C:1]-[C:2](=[C:3]-[C:4](-[O:5])-[C:6])-[C:7]>>[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[C:6])-[C:7]	1	7354
+[O:1]=[C:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[O:1]-1-[C:11]-[C:10]-[C:9]-[C:12]-1.[C:2](-[C:6])#[N:13].[c:3](:[c:4])(:[c:5])-[Mg:8]-[Br:7]	1	7355
+[C:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[C:6]-[C:7]-[C:8]-1-[C:9]>>[C:1]-[C:2]=1-[C:3]-[C:4](-[O:5]-[C:10])=[C:6]-[C:7]-[C:8]=1-[C:9]	1	7360
+[C:1]-[C:2](-[C:3]-1-[C:4]-[C:5]-1)=[C:6]>>[C:3]-1(-[C:4]-[C:5]-1)-[Mg:9]-[Br:8].[C:1]-[C:2](=[C:6])-[Br:7]	1	7379
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]-[O:11]-[C:17](-[C:16])=[O:18]):[n:7]:[c:8]:1-[C:9]#[N:10]>>[O:11](-[C:13](-[C:12])=[O:14])-[C:17](-[C:16])=[O:18].[C:1]-[C:2]-1=[C:3]-[C:4]=[C:5](-[C:6])-[N+:7](-[C:8]-1=[C:9]=[N-:10])=[O:15]	1	7380
+[C:1](-[N:2]-[C:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)=[C:9])=[O:10]>>[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19].[C:1](-[N:2]-[C:3](=[C:9])-[Cl:20])=[O:10]	1	7388
+[N:1]-1-[C:2]=[C:3]-[C:4](-[c:5](:[c:6]):[c:7])=[C:8](-[C:9])-[C:10]-1=[O:11]>>[c:5](:[c:6])(:[c:7])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21].[N:1]-1-[C:2]=[C:3]-[C:4](=[C:8](-[C:9])-[C:10]-1=[O:11])-[Br:12]	1	7391
+[C:1]-[c:2]:1:[c:3](-[C:4]-[O:11]-[C:16](-[C:15])=[O:17]):[n:5]:[c:6](-[C:7]#[N:8]):[c:9]:[c:10]:1>>[O:11](-[C:12](=[O:13])-[C:18])-[C:16](-[C:15])=[O:17].[C:1]-[C:2]-1=[C:3](-[C:4])-[N+:5](-[C:6](=[C:7]=[N-:8])-[C:9]=[C:10]-1)=[O:14]	1	7392
+[N:1]-1-[C:2]=[C:3]-[C:4](-[c:5](:[c:6]):[c:7])=[C:8]-[C:9]-1=[O:10]>>[c:5](:[c:6])(:[c:7])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[N:1]-1-[C:2]=[C:3]-[C:4](=[C:8]-[C:9]-1=[O:10])-[Br:11]	1	7395
+[N:1]-1-[C:2]=[C:3]-[C:4](-[N:5](-[C:6])-[C:7])=[C:8]-[C:9]-1=[O:10]>>[N:5](-[C:6])-[C:7].[N:1]-1-[C:2]=[C:3]-[C:4](=[C:8]-[C:9]-1=[O:10])-[Br:11]	1	7396
+[C:1]-1(=[C:2]-[C:3](=[O:4])-[N:5]-[C:6]=[C:7]-1)-[B:9](-[O:8])-[O:10]>>[O:8]-[B:9](-[O:10])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[C:1]-1(=[C:2]-[C:3](=[O:4])-[N:5]-[C:6]=[C:7]-1)-[Br:11]	1	7397
+[C:1]-[C:2](-[O:3])(-[C:4](=[C:5]-[N:6])-[C:8]=[C:7])-[C:9](-[F:10])(-[F:11])-[F:12]>>[C:1]-[C:2](=[O:3])-[C:4](=[C:5]-[N:6])-[C:8]=[C:7].[C:9](-[F:10])(-[F:11])(-[F:12])-[Si:14](-[C:13])(-[C:15])-[C:16]	1	7398
+[C:1]-1(-[C:2]-[C:3]-[C:4](-[c:5](:[c:6]):[c:7])-[C:8]-1)=[O:9]>>[C:1]-1(-[C:2]-[C:3]-[C:4]=[C:8]-1)=[O:9].[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12]	1	7400
+[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[N:6](-[C:7])-[C:8])-[C:9]-1=[O:10]>>[N:1]-1-[C:2]=[C:3]-[C:4]=[C:5](-[C:9]-1=[O:10])-[Br:11].[N:6](-[C:7])-[C:8]	1	7405
+[O:1]=[C:2]-1-[C:3](-[c:4](:[c:5]):[c:7]:[n:6])=[C:8]-[C:9]=[C:10]-[N:11]-1>>[O:1]=[C:2]-1-[C:3](=[C:8]-[C:9]=[C:10]-[N:11]-1)-[Br:12].[c:4](:[c:5])(:[c:7]:[n:6])-[B:14](-[O:13])-[O:15]	1	7406
+[O:1]=[C:2](-[C:3])-[N:4]-1-[C:5]-[C:6]=[C:7]-[C:8]-1>>[O:1]=[C:2](-[C:3])-[O:9].[N:4]-1-[C:5]-[C:6]=[C:7]-[C:8]-1	1	7416
+[C:1]-[C:2](=[C:3](-[c:4](:[c:5]):[c:6])-[C:7](=[O:8])-[N:9])-[N:10]>>[C:1]-[C:2](=[C:3](-[C:7](=[O:8])-[N:9])-[I:11])-[N:10].[c:4](:[c:5])(:[c:6])-[B:13](-[O:12])-[O:14]	1	7417
+[C:1]-[C:2](=[C:3](-[C:4](=[O:5])-[N:6])-[I:8])-[N:7]>>[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[N:6])-[N:7].[I:8]-[I:9]	1	7418
+[C:1]-[O:2]-[c:3]:1:[c:4]:[c:5](-[C:6](=[O:7])-[O:11]):[n:8]:[n:9]:1-[C:10]>>[C:3]-1(-[C:4]-[C:5](-[C:6](=[O:7])-[O:11])=[N:8]-[N:9]-1-[C:10])=[O:12].[C:1]-[O:2]	1	7423
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[c:6]:2:[c:7]:[c:8]:[n:9]:[n:10]:2:[c:11](:[c:12]:1)-[Cl:13]>>[O:1]-[C:2](=[O:3])-[C:4]-1=[N:5]-[c:6]:2:[c:7]:[c:8]:[n:9]:[n:10]:2-[C:11](-[C:12]-1)=[O:18].[Cl:13]-[P:15](=[O:14])(-[Cl:16])-[Cl:17]	1	7424
+[c:1]-[N:2]-[C:3](=[C:4](-[C:5])-[C:6](=[O:7])-[C:8])-[C:9]>>[C:3](-[C:4](-[C:5])-[C:6](=[O:7])-[C:8])(-[C:9])=[O:10].[c:1]-[N:2]	1	7425
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:7](-[C:6])=[O:8]>>[C:3](=[O:4])(-[C:5])-[O:9]-[C:7](-[C:6])=[O:8].[C:1]-[N:2]	1	7434
+[O:1]-[C:2]-1=[C:3](-[c:4](:[c:5]):[c:6])-[C:7](=[O:8])-[C:9]-[C:10]-1>>[O:1]-[C:2]-1=[C:3](-[C:7](=[O:8])-[C:9]-[C:10]-1)-[Br:11].[c:4](:[c:5])(:[c:6])-[B:13](-[O:12])-[O:14]	1	7436
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]=[N:7]>>[C:4](=[O:5])(-[C:6]=[N:7])-[O:8].[C:1]-[N:2]-[C:3]	1	7437
+[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](-[O:6]):[n:7]:[c:8](-[c:9]):[n:10]:1>>[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:13]-[C:12]-[C:11])=[O:14].[N:7]=[C:8](-[c:9])-[N:10]	1	7442
+[n:1]:[c:2]:[c:3]-[C:4]-[n:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:1>>[n:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:1.[n:1]:[c:2]:[c:3]-[C:4]-[O:12]-[S:14](=[O:10])(=[O:11])-[C:13]	1	7472
+[C:1]-[C:2](=[O:3])-[S:4]-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])-[O:8].[C:1]-[C:2](-[O:3])=[S:4]	1	7483
+[C:1](-[C:2])(-[C:3])=[O:4]>>[C:1](-[C:2])(-[C:3])(-[O:4])-[C:6]-[O:5]	1	7486
+[C:1]-[C:2](-[C:4](-[C:3](-[C:6])=[O:7])-[C:5])=[O:8]>>[C:1]-[C:2](=[O:8])-[n:11]:1:[c:10]:[c:9]:[n:13]:[c:12]:1.[C:3](-[C:4]-[C:5])(-[C:6])=[O:7]	1	7496
+[C:1]-[N:2]-[C:3](=[O:4])-[O:5]-[C:6]>>[O:5]-[C:6].[C:3](=[O:4])(-[Cl:7])-[Cl:8].[C:1]-[N:2]	1	7501
+[c:1](-[C:2](-[F:3])(-[C:4])-[C:5]):[c:6]:[n:7]>>[c:1](-[C:2](-[C:4])(-[C:5])-[O:16]):[c:6]:[n:7].[F:3]-[S:13](-[N:10](-[C:9]-[C:8])-[C:11]-[C:12])(-[F:14])-[F:15]	1	7504
+[c:1]:1:[c:2]:[n:3](-[C:4](-[C:5])-[C:6]):[c:7](:[c:8]):[c:9]:1>>[C:4](-[C:5])(-[C:6])-[Br:10].[c:1]:1:[c:2]:[n:3]:[c:7](:[c:8]):[c:9]:1	1	7510
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[C:7]):[c:8]:[c:9]:2:[c:10]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5]):[c:9](-[C:8]#[C:6]-[C:7]):[c:10]:1	1	7511
+[c:1]:1:[c:2]:2:[c:3]:[c:4](-[C:5]):[n:6]:[c:7]:2:[n:8]:[c:9]:[c:10]:1>>[C:4](-[C:5])(=[O:11])-[N:21](-[O:20]-[C:19])-[C:22].[c:1]:1:[c:2](-[C:3]):[c:7](-[N:6]-[C:17](-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15])=[O:18]):[n:8]:[c:9]:[c:10]:1	1	7512
+[c:1]:1:[c:2]:[c:3](-[C:4](-[C:5])-[C:6]):[c:7]:[n:8]:[n:9]:1>>[C:4](-[C:5])(-[C:6])-[C:11](=[O:10])-[O:12].[c:1]:1:[c:2]:[c:3]:[c:7]:[n:8]:[n:9]:1	1	7522
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](-[C:6]):[s:8]:1)-[C:7]>>[C:4](-[C:5](-[C:6])=[O:10])(-[C:7])-[Br:9].[C:1]-[C:2](-[N:3])=[S:8]	1	7531
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](-[C:6]):[s:8]:1)-[C:7]>>[C:4](-[C:5](-[C:6])=[O:9])(-[C:7])-[Br:10].[c:1]-[C:2](-[N:3])=[S:8]	1	7532
+[n:1]:[c:2]:[c:3](-[O:4]-[c:5]):[c:6]>>[O:4]-[c:5].[n:1]:[c:2]:[c:3](:[c:6])-[I:7]	1	7542
+[n:1]:[c:2]:[c:3](-[O:4]-[c:5]):[c:6]:[n:7]>>[O:4]-[c:5].[n:1]:[c:2]:[c:3](:[c:6]:[n:7])-[Br:8]	1	7543
+[N:1]-[C:7](-[N:3](-[C:2])-[c:4](:[c:5]):[c:6])=[O:8]>>[c:4](:[c:5])(:[c:6])-[I:9].[N:1]-[C:7](-[N:3]-[C:2])=[O:8]	1	7547
+[c:1]:[c:2](-[C:3](-[C:4])-[C:5]):[c:6]>>[C:3](-[C:4])(-[C:5])-[Zn+:8].[c:1]:[c:2](:[c:6])-[I:7]	1	7556
+[Cl:1]-[c:2]:1:[c:3]:[c:5](:[n:4]):[n+:6]:[c:7]:[c:8]:1>>[c:2]:1:[c:3]:[c:5](:[n:4]):[n+:6]:[c:7]:[c:8]:1.[Cl:1]-[S:10](-[C:9])(=[O:11])=[O:12]	1	7557
+[C:1]-[C:2](-[C:3]-[C:4]=[O:6])=[O:5]>>[C:3]-[C:4]=[O:6].[C:1]-[C:2](=[O:5])-[Cl:7]	1	7560
+[C:1]-[c:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[n:7]:1>>[C:1]-[C:2](-[C:3]-[C:4](-[c:5])=[O:9])=[O:8].[N:6]-[N:7]	1	7561
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[C:6](-[C:7])-[C:8])-[C:9]>>[C:3](=[O:4])(-[C:6](-[C:7])-[C:8])-[O:10].[C:1]-[N:2]-[C:9].[N:5](=[N+:12]=[N-:11])-[P:13](=[O:14])(-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)-[c:21]:2:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:2	1	7592
+[C:1]-[C:2]-1-[C:3]-[C:4](-[c:5]:[c:7](:[c:6])-[O:8]-1)=[O:9]>>[C:1]-[C:2]=[O:8].[C:3]-[C:4](-[c:5]:[c:7](:[c:6])-[O:10])=[O:9]	1	7600
+[N:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[N:6]-[C:7]=[C:8]-1-[F:9]>>[C:2]-1(-[N:3]-[C:4](=[O:5])-[N:6]-[C:7]=[C:8]-1-[F:9])=[O:12].[N:1]#[C:11]-[C:10]	1	7607
+[C:1]-[O:2]-[S:3](=[O:4])(=[O:5])-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1-[C:12]>>[C:1]-[O:2].[S:3](=[O:4])(=[O:5])(-[c:6]:1:[c:7]:[c:8]:[c:11](:[c:10]:[c:9]:1)-[C:12])-[Cl:13]	1	7621
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:5](=[O:4])-[O:6]	1	7624
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]):[s:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[Cl:9]	1	7648
+[O:1]=[C:2](-[C:3](=[C:4](-[C:5])-[N:6])-[C:8]=[C:7])-[N:9](-[C:10])-[C:11]>>[N:9](-[C:10])-[C:11].[O:1]=[C:2](-[C:3](=[C:4](-[C:5])-[N:6])-[C:8]=[C:7])-[O:12]	1	7657
+[c:1]:1:[n:2]:[c:3](-[N:4]-[c:5]:2:[c:6]:[n:7]:[n:8]:[c:9]:2):[n:10]:[c:11](:[c:12]:1):[c:13]>>[c:1]:1:[n:2]:[c:3](:[n:10]:[c:11](:[c:12]:1):[c:13])-[Cl:14].[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1	1	7672
+[N:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]):[n:7]>>[N:1]-[C:2](=[O:3])-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:17]:[c:16]:1.[N:4]-[c:5](:[c:6]):[n:7]	1	7674
+[O:1]=[C:2](-[O:3])-[c:4]:1:[n:5]:[c:6](:[c:7](-[C:8]):[s:10]:1)-[C:9]>>[C:6](-[C:7](-[C:8])-[Cl:12])(-[C:9])=[O:11].[O:1]=[C:2](-[O:3])-[C:4](-[N:5])=[S:10]	1	7748
+[c:1]:[c:2]:[n:3](:[c:4](-[N:5](-[C:6])-[C:7]):[c:8]):[c:10]:[c:9]>>[N:5](-[C:6])-[C:7].[c:1]:[c:2]:[n:3](:[c:4](:[c:8])-[Cl:11]):[c:10]:[c:9]	1	7796
+[c:1]:[c:8]:[n:7]:[c:3](:[c:2])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]:[c:8]:[n:7]:[c:3](:[c:2])-[I:9]	1	7809
+[C:1](-[c:2]:1:[c:3]:[n:4](-[c:5]):[c:6]:[c:7]:1)=[O:8]>>[C:1](-[C:2]-1-[C:3](-[O:10]-[C:9])-[O:11]-[C:6](-[C:7]-1)-[O:12]-[C:13])=[O:8].[N:4]-[c:5]	1	7827
+[C:1](-[C:2](=[C:3]-[N:5])-[C:4])=[O:6]>>[C:1](-[C:2]-[C:4])=[O:6].[C:3](-[N:5])(-[O:8]-[C:7])-[O:9]-[C:10]	1	7834
+[c:1]-[C:2](-[C:4](-[C:3]=[O:7])-[C:5])=[O:6]>>[C:3](-[C:4]-[C:5])=[O:7].[c:1]-[C:2](=[O:6])-[O:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1	1	7837
+[N:1]-[C:11](-[C:2])=[C:4](-[C:3])-[c:5]:1:[c:6]:[s:7]:[c:8](-[N:9]):[n:10]:1>>[N:1]-[C:11](-[C:2])=[C:4](-[C:3])-[C:5](-[C:6]-[Br:13])=[O:12].[S:7]=[C:8](-[N:9])-[N:10]	1	7840
+[C:1]-1-[C:6](-[C:5](=[C:3]-[C:2])-[C:4])-[C:7]-[C:8]-[C:9]-1=[O:10]>>[C:1]-1-[C:6](-[C:5](=[C:3]-[C:2])-[C:4])=[C:7]-[C:8]-[C:9]-1=[O:10]	1	7868
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[C:6](-[C:7])-[C:8]-[O:9]>>[C:6]-1(-[C:7])-[C:8]-[O:9]-1.[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1	1	7871
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]-[C:6]>>[N:4]#[C:5]-[C:6].[C:1]-[C:2](=[O:3])-[O:10]-[C:8](-[C:7])=[O:9]	1	7875
+[C:1]=[C:2](-[C:3])-[C:4]>>[C:2](-[C:3])(-[C:4])=[O:18].[C:1]-[P+:23](-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)(-[c:22]:2:[c:16]:[c:17]:[c:19]:[c:20]:[c:21]:2)-[c:24]:3:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:3	1	7887
+[C:1]-[C:2](-[N:3]-[C:4]-[C:5](=[O:6])-[N:7])-[C:8]>>[C:1]-[C:2](-[C:8])=[O:9].[N:3]-[C:4]-[C:5](=[O:6])-[N:7]	1	7890
+[C:1]-[C:2](-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8])=[C:9](-[C:10]=[O:11])-[C:12]>>[C:1]-[C:2](=[C:9](-[C:10]=[O:11])-[C:12])-[Cl:13].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]	1	7892
+[C:1]#[C:2]-[C:3]>>[C:2](-[C:3])=[O:7].[C:1]-[C:5](=[O:6])-[C:14](-[P:10](-[O:9]-[C:8])(=[O:11])-[O:12]-[C:13])=[N+:15]=[N-:4]	1	7907
+[O:1]=[C:2]=[N:3]-[C:4]>>[N:3]-[C:4].[O:1]=[C:2](-[O:9]-[C:6](-[Cl:5])(-[Cl:7])-[Cl:8])-[O:10]-[C:11](-[Cl:12])(-[Cl:13])-[Cl:14]	1	7927
+[O:1]=[C:2](-[C:3]-[C:4](-[C:5])-[c:6])-[O:7]>>[O:1]=[C:2](-[C:3]=[C:4](-[C:5])-[c:6])-[O:7]	1	7931
+[C:1]-[C:2](-[O:3])(-[C:4])-[C:5]>>[C:1]-[C:2](-[C:4])-[C:5].[O:3]=[O:6]	1	7978
+[c:1]-[C:2]-[C:3]-[N:4]-[C:5]=[O:6]>>[c:1]-[C:2]=[C:3]-[N:4]-[C:5]=[O:6]	1	7985
+[c:1]:[c:8](:[n:7]:[c:3](:[c:2])-[C:4]#[C:5]-[C:6]):[c:9]>>[c:1]:[c:8](:[n:7]:[c:3](:[c:2])-[Cl:10]):[c:9].[C:4]#[C:5]-[C:6]	1	7988
+[O:1]=[S:2](=[O:3])(-[C:4])-[c:5]>>[O:1]=[S:2](-[C:4])-[c:5].[O:3]-[O:8]-[C:7](=[O:6])-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13](-[Cl:14]):[c:15]:1	1	8013
+[n:1]:[c:2]:1:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]:[n:9]:1>>[n:1]:[c:2]:1:[c:3](:[c:7]:[n:8]:[n:9]:1)-[I:19].[c:4](:[c:5])(:[c:6])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	1	8022
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]#[N:4].[O:3]-[C:12](-[C:10](-[C:8](-[C:6](=[O:5])-[O:7])-[O:9])-[O:11])=[O:13]	1	8041
+[c:1]-[N:2](-[C:3]=[O:4])-[C:5]>>[c:1]-[N:2]-[C:5].[C:3](=[O:4])-[O:6]	1	8061
+[O:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[C:6]-[C:7]-1)-[Br:8]>>[O:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[C:6]-[C:7]-1.[Br:8]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	1	8063
+[N:1](-[c:2])-[C:3]-1=[C:4]-[C:5](=[O:6])-[C:7]-[C:8]-1>>[C:3]-1(-[C:4]-[C:5](=[O:6])-[C:7]-[C:8]-1)=[O:9].[N:1]-[c:2]	1	8064
+[C:1](-[c:2](:[n:3]):[c:4])-[Br:5]>>[C:1](-[c:2](:[n:3]):[c:4])-[O:13].[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11]	1	8101
+[C:1](-[c:2](:[c:3]:[s:4]):[n:5])-[Br:6]>>[C:1]-[c:2](:[c:3]:[s:4]):[n:5].[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	1	8104
+[C:1]-[C:2](=[C:3])-[Br:4]>>[Br:4]-[N:6]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:5].[C:1]-[C:2]=[C:3]	1	8116
+[n:1]:[c:2](-[C:3]-[Br:4]):[n:5]>>[Br:4]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[n:1]:[c:2](-[C:3]):[n:5]	1	8122
+[C:1](-[C:2](=[C:3](-[C:4])-[Cl:8])-[C:6](-[N:5])=[O:7])-[Br:9]>>[Br:9]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[C:1]-[C:2](=[C:3](-[C:4])-[Cl:8])-[C:6](-[N:5])=[O:7]	1	8123
+[c:1]:1:[n:2]:[c:3]:[c:4](:[n:5](:[n:6]):[c:7]:1)-[Br:8]>>[Br:8]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14].[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5](:[n:6]):[c:7]:1	1	8131
+[N:1]=[C:2]-[C:3]-[Br:4]>>[Br:4]-[N:11]-1-[C:6](=[O:5])-[C:7]-[C:8]-[C:9]-1=[O:10].[N:1]=[C:2]-[C:3]	1	8135
+[C:1]-[C:2](=[C:3](-[C:4]-[Br:5])-[C:6])-[N:7]>>[Br:5]-[N:9]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:8].[C:1]-[C:2](=[C:3](-[C:4])-[C:6])-[N:7]	1	8158
+[C:1]-[C:2](-[C:3])(-[Br:4])-[c:5]>>[Br:4]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[C:1]-[C:2](-[C:3])-[c:5]	1	8216
+[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[C:6]-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[C:6]	1	8224
+[C:1]-1-[O:2]-[C:3]=[C:4](-[C:5]-1=[O:6])-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[C:1]-1-[O:2]-[C:3]=[C:4]-[C:5]-1=[O:6]	1	8227
+[n:1]:1:[c:2]:[c:3](-[Br:4]):[c:5](:[c:6]:1):[c:8]:[n:7]>>[Br:4]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14].[n:1]:1:[c:2]:[c:3]:[c:5](:[c:6]:1):[c:8]:[n:7]	1	8247
+[c:1]:[c:2](-[Br:3]):[c:4]>>[Br:3]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14].[c:1]:[c:2](:[c:4])-[Si:6](-[C:5])(-[C:7])-[C:8]	1	8262
+[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5](:[c:6]:[c:7]:1)-[Br:13]>>[C:9]-1-[C:10](=[O:11])-[N:12](-[Br:13])-[C:15](=[O:14])-[C:16]-1.[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5]:[c:6]:[c:7]:1	1	8267
+[c:1]:[c:9]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6](:[n:7]:[c:8]:1)-[Br:10]>>[Br:10]-[N:17]-1-[C:12](=[O:11])-[C:13]-[C:14]-[C:15]-1=[O:16].[c:1]:[c:9]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6]:[n:7]:[c:8]:1	1	8284
+[C:1](-[c:2]:[c:3]:[o:4])-[Br:5]>>[Br:5]-[N:10]-1-[C:8](-[C:7]-[C:6]-[C:12]-1=[O:11])=[O:9].[C:1]-[c:2]:[c:3]:[o:4]	1	8306
+[C:1]-[C:3]-1=[C:2](-[C:7](=[C:6]-[N:5]-[C:4]-1)-[Br:8])-[O:9]>>[Br:8]-[N:14]-1-[C:12](-[C:11]-[C:10]-[C:16]-1=[O:15])=[O:13].[C:1]-[C:3]-1=[C:2](-[C:7]=[C:6]-[N:5]-[C:4]-1)-[O:9]	1	8322
+[c:1]:1:[n:2]:[c:3]:[c:4](-[Br:5]):[o:6]:1>>[Br:5]-[N:11]-1-[C:9](-[C:8]-[C:7]-[C:13]-1=[O:12])=[O:10].[c:1]:1:[n:2]:[c:3]:[c:4]:[o:6]:1	1	8353
+[C:1]=[N:2]-[C:3](-[Br:4])=[C:5](-[C:6])-[N:7]>>[Br:4]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[C:1]=[N:2]-[C:3]=[C:5](-[C:6])-[N:7]	1	8358
+[c:1]:1(:[c:2](:[c:3]):[n:4]:[n:5]:[c:6]:1)-[Br:7]>>[Br:7]-[N:17]-1-[C:12](=[O:11])-[C:13]-[C:14]-[C:15]-1=[O:16].[c:1]:1(:[c:2](:[c:3]):[n:4]:[n:5]:[c:6]:1)-[C:9](=[O:8])-[O:10]	1	8361
+[c:1]:[c:2](-[Br:3]):[c:4](:[c:5]:[n:6]):[n:7]>>[Br:3]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[c:1]:[c:2]:[c:4](:[c:5]:[n:6]):[n:7]	1	8365
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5](-[Br:6]):[s:7]:1>>[Br:6]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[s:7]:1	1	8377
+[C:1](-[C:2])=[C:3](-[C:4]-[Br:5])-[C:6](=[O:7])-[O:8]>>[Br:5]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14].[C:1](-[C:2])=[C:3](-[C:4])-[C:6](=[O:7])-[O:8]	1	8412
+[c:1]:[c:3](:[n:2])-[C:4](=[O:5])-[C:6]-[Br:7]>>[Br:7]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[c:1]:[c:3](:[n:2])-[C:4](-[O:5]-[C:9]-[C:8])=[C:6]	1	8413
+[c:1]:1:[c:2]:[c:3](:[n:4]:[n:5]:1)-[Br:6]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1	1	8454
+[C:1]-[N:6]=[C:7](-[N:8])-[S:9].[c:2]:[c:3](-[Br:4]):[c:5]>>[Br:4]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[C:1]-[N:6]-[C:7](=[N:8])-[S:9].[c:2]:[c:3]:[c:5]	1	8474
+[N:1]-[C:2]=[C:3](-[Br:4])-[S:5]>>[Br:4]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[N:1]-[C:2]=[C:3]-[S:5]	1	8504
+[C:1]-1-[C:2]=[C:3]-[C:4](-[Br:5])=[C:6]-[N:7]-1>>[Br:5]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[C:1]-1-[C:2]=[C:3]-[C:4]=[C:6]-[N:7]-1	1	8521
+[c:1]-[O:2]-[C:3](-[C:4]-[Br:6])-[C:5]>>[Br:6]-[N:10]-1-[C:8](-[C:7]-[C:13]-[C:12]-1=[O:11])=[O:9].[c:1]-[O:2].[C:3](=[C:4])-[C:5]	1	8526
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1	1	8546
+[C:1]-[C:7]=[C:5](-[C:3](-[C:2])=[O:4])-[Br:6]>>[Br:6]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[C:1]-[C:7]=[C:5]-[C:3](-[C:2])=[O:4]	1	8557
+[N:1]-1-[C:2](=[O:3])-[C:4](-[Br:5])=[C:6]-[C:7]=[C:8]-1>>[Br:5]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14].[N:1]-1-[C:2](=[O:3])-[C:4]=[C:6]-[C:7]=[C:8]-1	1	8574
+[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]):[n:6]:1)-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1	1	8588
+[N:1]-1-[C:2]=[C:3](-[C:4](=[C:5](-[C:6]-1)-[C:7])-[Cl:8])-[Br:9]>>[Br:9]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5](-[C:6]-1)-[C:7])-[Cl:8]	1	8599
+[n:1]:[c:2]:[c:3](:[n:4]:[n:5])-[Br:6]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[n:1]:[c:2]:[c:3]:[n:4]:[n:5]	1	8607
+[c:1]:1(:[c:2](:[c:3]:[c:4]:[c:5]:[n:6]:1):[n:7])-[Br:10]>>[O:8]=[C:15]-1-[N:9](-[Br:10])-[C:12](=[O:11])-[C:13]-[C:14]-1.[c:1]:1:[c:2](:[c:3]:[c:4]:[c:5]:[n:6]:1):[n:7]	1	8610
+[c:1]:[c:9]:1:[n:4](:[c:3]:[c:2]):[c:5](-[Br:6]):[n:7]:[n:8]:1>>[Br:6]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[c:1]:[c:9]:1:[n:4](:[c:3]:[c:2]):[c:5]:[n:7]:[n:8]:1	1	8617
+[C:1](-[C:2]=[C:3])-[Br:4]>>[Br:4]-[N:11]-1-[C:6](=[O:5])-[C:7]-[C:8]-[C:9]-1=[O:10].[C:1]-[C:2]=[C:3]	1	8651
+[C:1]#[C:2]-[Br:3]>>[Br:3]-[N:4]-1-[C:6](=[O:5])-[C:7]-[C:8]-[C:9]-1=[O:10].[C:1]#[C:2]	1	8655
+[C:1]=[C:2]-[C:3]-[Br:4]>>[Br:4]-[N:11]-1-[C:6](=[O:5])-[C:7]-[C:8]-[C:9]-1=[O:10].[C:1]=[C:2]-[C:3]-[O:12]	1	8657
+[N:1]-1-[C:2](-[C:3])=[C:4](-[C:5](=[O:6])-[N:7]-1)-[Br:8]>>[Br:8]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14].[N:1]-1-[C:2](-[C:3])=[C:4]-[C:5](=[O:6])-[N:7]-1	1	8683
+[C:1](-[c:2](:[n:3]):[o:4])-[Br:5]>>[Br:5]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11].[C:1]-[c:2](:[n:3]):[o:4]	1	8688
+[C:1]-[C:2](-[Br:3])-[c:4](:[n:5]):[c:6]>>[Br:3]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[C:1]-[C:2]-[c:4](:[n:5]):[c:6]	1	8697
+[c:1]:[c:9]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6](:[c:7]:[n:8]:1)-[Br:10]>>[Br:10]-[N:17]-1-[C:12](=[O:11])-[C:13]-[C:14]-[C:15]-1=[O:16].[c:1]:[c:9]:1:[n:5](:[c:4](:[c:2]):[c:3]):[c:6]:[c:7]:[n:8]:1	1	8713
+[O:1]=[C:2]-1-[C:3](-[Br:4])=[C:5](-[N:6])-[C:7]=[C:8]-[N:9]-1>>[Br:4]-[N:16]-1-[C:11](=[O:10])-[C:12]-[C:13]-[C:14]-1=[O:15].[O:1]=[C:2]-1-[C:3]=[C:5](-[N:6])-[C:7]=[C:8]-[N:9]-1	1	8729
+[C:1](-[C:2](=[C:3]-[N:4])-[C:5]=[O:6])-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[C:1]-[C:2](=[C:3]-[N:4])-[C:5]=[O:6]	1	8737
+[c:1]:1:[c:2]:[n:3]:[c:4](:[n:5]:[c:6]:1)-[Br:7]>>[Br:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13].[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:6]:1	1	8756
+[c:1](:[c:2](:[n:3]):[c:4])(:[c:5])-[Br:6]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[c:1](:[c:2](:[n:3]):[c:4]):[c:5]	1	8760
+[o:1]:[c:2](:[c:3]):[c:5](:[c:4])-[Br:6]>>[Br:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12].[o:1]:[c:2](:[c:3]):[c:5]:[c:4]	1	8772
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5]-[C:6]-[C:7](=[O:8])-[O:9])-[C:10]>>[C:1]-[N:2]-[C:10].[C:3]-1(=[O:4])-[C:5]-[C:6]-[C:7](=[O:8])-[O:9]-1	1	8783
+[c:1](-[N:2]-[C:3](=[O:4])-[C:5]-[C:6]-[C:7](=[O:8])-[O:9]):[c:10]:[n:11]>>[C:3]-1(=[O:4])-[C:5]-[C:6]-[C:7](=[O:8])-[O:9]-1.[c:1](-[N:2]):[c:10]:[n:11]	1	8804
+[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](:[c:6]):[c:8](:[c:7]):[n:9]:1-[C:10]=[O:11]>>[C:1]-[C:2](-[C:3]-[C:4])=[O:13].[c:5](:[c:6]):[c:8](:[c:7])-[N:9](-[C:10]=[O:11])-[N:12]	1	8831
+[c:1]:[c:2](-[C:3](=[O:4])-[O:7]-[C:6]):[n:5]>>[c:1]:[c:2](-[C:3]#[N:13]):[n:5].[O:4]-1-[C:9]-[C:8]-[O:12]-[C:11]-[C:10]-1.[C:6]-[O:7]	1	8840
+[C:1]-[C:2](-[O:3])-[C:4]-[c:5]>>[C:1]-[C:2]=[O:3].[C:4](-[c:5])-[Mg:7]-[Cl:6]	1	8859
+[C:1]-[C:2](-[C:3])(-[C:4]=[O:6])-[C:5]>>[C:1]-[C:2](-[C:4]=[O:6])-[C:5].[C:3]-[I:7]	1	8861
+[C:1]-[C:2](-[C:3])(-[c:5]:1:[c:4]:[c:8]:[c:7](:[n:6]:1):[c:9])-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:10])-[O:11].[c:4]:1:[c:5]:[n:6]:[c:7](:[c:8]:1):[c:9]	1	8867
+[O:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[C:6]-[N:7]-1-[c:8]>>[N:3]#[C:4]-[C:6]-[N:7]-[c:8].[O:1]=[C:2]=[N:12].[O:5]=[C:10](-[C:9])-[O:11]	1	8882
+[C:1](=[O:2])-[C:3](=[C:4]-[C:5])-[C:6]>>[C:1](=[O:2])-[C:3](-[C:4]-[C:5])(-[C:6])-[Br:7]	1	8890
+[c:1]:[c:2]-1:[c:3]-[N:4]-2-[C:5]-[C:6]-[C:7]-[N:8]=[C:9]-2-[C:10]-1=[O:11]>>[C:5](-[C:6]-[C:7]#[N:8])-[Cl:17].[c:1]:[c:2]-1:[c:3]-[N:4]-[C:10](-[C:9]-1-2-[O:14]-[C:13]-[C:12]-[C:16]-[O:15]-2)=[O:11]	1	8895
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7]=[O:8]>>[C:1]-[N:2]-[C:7]=[O:8].[N:5]-[c:6].[C:3](=[O:4])(-[n:11]:1:[c:10]:[c:9]:[n:18]:[c:17]:1)-[n:12]:2:[c:13]:[c:14]:[n:15]:[c:16]:2	1	8898
+[c:1]-[C:2](-[N:3]=[N+:4]=[N-:5])(-[C:6])-[C:7]>>[c:1]-[C:2](-[C:6])(-[C:7])-[O:8].[N-:3]=[N+:4]=[N-:5]	1	8904
+[n:1]:[c:2]:[c:3]-[C:4]-1=[N:5]-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]-1>>[C:7](-[C:8])(-[C:9])=[C:10].[n:1]:[c:2]:[c:3]-[C:4]=[N:5]-[O:6]	1	8907
+[O:1]=[C:2]-1-[O:3]-[C:4]-[C:5](-[O:6])=[C:7]-1-[C:8](=[O:9])-[C:10]>>[C:8](=[O:9])(-[C:10])-[O:11].[O:1]=[C:2]-1-[O:3]-[C:4]-[C:5](-[O:6])=[C:7]-1	1	8919
+[C:1](-[O:2])(-[C:3](-[C:4])-[n:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1:[c:10])=[O:11]>>[C:1](-[O:2])(-[C:3](-[C:4])-[Br:12])=[O:11].[n:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1:[c:10]	1	8920
+[c:1]-[C:2]=1-[N:3]-[C:4]-[C:5](-[c:6])-[N:7]=1>>[N:3]-[C:4]-[C:5](-[c:6])-[N:24].[c:1]-[C:2]=1-[N:7]-[C:13](-[c:12]:2:[c:11]:[c:10]:[c:9](-[Cl:8]):[c:23]:[c:22]:2)-[C:14](-[C:15]-[C:16]-3-[C:17]-[C:18]-[C:19]-[C:20]-3)-[N:21]=1	1	8924
+[c:1](:[c:2]-[C:3](-[C:4])-[Cl:6]):[s:5]>>[c:1](:[c:2]-[C:3](-[C:4])-[O:10]):[s:5].[Cl:6]-[S:8](=[O:7])-[Cl:9]	1	8944
+[c:1]:[c:2](-[C:3](-[Cl:4])-[C:5]):[o:6]>>[c:1]:[c:2](-[C:3](-[C:5])-[O:10]):[o:6].[Cl:4]-[S:8](=[O:7])-[Cl:9]	1	8947
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[N:8]-[C:9]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[O:17]-[c:16]:1:[c:15]:[c:14]:[c:13](-[N+:11](=[O:10])-[O-:12]):[c:20]:[c:19]:1)-[Cl:18].[N:8]-[C:9]	1	8955
+[N+:1](-[c:2](:[c:3]):[c:5])(=[O:11])-[O-:12].[c:4]-[N:6]=[C:7](-[C:8])-[N:9]-[S:10]>>[c:2](:[c:3]):[c:5].[c:4]-[N:6]-[C:7](-[C:8])=[N:9]-[S:10].[N+:1](=[O:11])(-[O-:12])-[O:13]	1	8960
+[C:1](=[C:2]-[C:3])-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[s:9]>>[C:1](=[C:2]-[C:3])-[C:4](=[O:5])-[O:10].[N:6]-[c:7](:[n:8]):[s:9]	1	8961
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6](=[O:7])-[O:9]):[c:8]>>[C:3](=[C:4]-[C:5])(-[C:6](=[O:7])-[O:9])-[I:10].[c:1]:[c:2](:[c:8])-[I:11]	1	8962
+[n:1]:[c:3]:1:[c:2]:[c:7](:[n:6]:[c:5]:[n:4]:1)-[C:8](-[C:9])-[O:10]>>[C:8](-[C:9])=[O:10].[n:1]:[c:3]:1:[c:2]:[c:7](:[n:6]:[c:5]:[n:4]:1)-[I:11]	1	8963
+[O:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[C:7]-[C:8]>>[C:7](-[C:8])=[O:9].[O:1]-[C:2](=[O:3])-[C:4]-[N:6]-[C:5]	1	8966
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]#[N:5].[O:3]=[S:7](-[O:4])(=[O:6])-[O:8]	1	8988
+[N:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8](=[O:9])-[N:10]-1-[C:11]>>[N:6](-[C:7])-[C:8](=[O:9])-[N:10]-[C:11].[N:1]#[C:2]-[C:3]-[C:4](=[O:5])-[O:12]	1	9016
+[C:1]#[C:2]-[C:3]-[N:4](-[C:5])-[C:6](=[O:7])-[c:8]>>[C:1]#[C:2]-[C:3]-[N:4]-[C:5].[C:6](=[O:7])(-[c:8])-[Cl:9]	1	9019
+[O:1]-[C:2](-[C:3]-[C:4])(-[C:5])-[C:6]>>[O:1]=[C:2](-[C:5])-[C:6].[C:3](-[C:4])-[Mg:8]-[Br:7]	1	9028
+[c:1]:[c:7]:[n:6]:[c:3](:[c:2])-[C:4]-[C:5]>>[C:4](-[C:5])-[Zn+:9].[c:1]:[c:7]:[n:6]:[c:3](:[c:2])-[Br:8]	1	9030
+[c:1](-[c:2]:1:[c:3]:[s:4]:[c:5](-[C:6]):[n:7]:1):[c:8]:[n:9]>>[c:1](-[C:2](-[C:3]-[Cl:11])=[O:10]):[c:8]:[n:9].[S:4]=[C:5](-[C:6])-[N:7]	1	9034
+[c:1](-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6](-[C:7](=[O:8])-[O:12]):[s:9]:1):[c:10]:[n:11]>>[c:1](-[C:2](-[N:3])=[S:9]):[c:10]:[n:11].[C:4](-[C:5])(-[C:6](-[C:7](=[O:8])-[O:12])-[Cl:14])=[O:13]	1	9038
+[N:1]-[C:2](=[O:3])-[n:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1>>[N:1]-[C:2](=[O:3])-[Cl:9].[n:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1	1	9046
+[C:1]-[C:2]>>[C:1](-[C:2])-[O:3]	1	9056
+[N+:1](-[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8])(=[O:9])-[O-:10]>>[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8].[N+:1](=[O:9])(-[O-:10])-[O:11]	1	9063
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[C:6])-[c:7]>>[C:3](=[O:4])=[N:5]-[C:6].[C:1]-[N:2]-[c:7]	1	9068
+[C:1]-[C:2]-1=[C:3]-[N:4](-[C:5])-[c:6](:[c:7]):[c:8]-[C:9]-1>>[C:1]-[C:2](=[C:3]-[N:4]-[C:5])-[C:9]-[c:8]:[c:6](:[c:7])-[Cl:10]	1	9074
+[c:1]-[C:2]-1-[C:3]-[C:4](-[C:5])=[N:6]-[N:7]-1-[C:8]>>[N:6]-[N:7]-[C:8].[c:1]-[C:2]=[C:3]-[C:4](-[C:5])=[O:9]	1	9076
+[c:1]:[c:2](-[O:3]-[C:4](=[C:5]-[N:6])-[C:7]=[O:8]):[c:9]>>[O:3]-[C:4](=[C:5]-[N:6])-[C:7]=[O:8].[c:1]:[c:2](:[c:9])-[F:10]	1	9077
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[c:1]-[C:2]#[N:6].[N-:3]=[N+:4]=[N:5]-[Sn:8](-[C:7])(-[C:9])-[C:10]	1	9083
+[O:1]-[C:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[c:3](:[c:4])(:[c:5])-[Br:7].[O:1]-[C:2](-[C:6])=[O:8]	1	9090
+[N:1](-[c:2](:[n:3]):[s:4])-[C:6]=[O:5]>>[N:1]-[c:2](:[n:3]):[s:4].[O:5]-[C:6]=[O:7]	1	9095
+[O:1]=[C:2](-[C:3])-[S:4]-[C:5]>>[S:4]-[C:5].[O:1]=[C:2](-[C:3])-[Cl:6]	1	9102
+[O:1]-[C:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:3](-[C:4])(-[C:5])-[Mg:8]-[Cl:7].[O:1]=[C:2]-[C:6]	1	9104
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:8](:[c:7]):[n:9]:1):[c:10]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:8](:[c:7]):[n:9]:1)-[Br:11].[c:1]:[c:2](:[c:10])-[B:13](-[O:12])-[O:14]	1	9105
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6](-[C:7]):[c:8](-[c:9](:[c:10]):[s:11]):[n:12]:1>>[C:5](=[C:6](-[C:7])-[C:8](-[c:9](:[c:10]):[s:11])=[O:16])-[N:14](-[C:13])-[C:15].[c:1]-[N:2]=[C:3](-[N:4])-[N:12]	1	9109
+[O:1]=[C:2](-[O:3])-[c:4]>>[O:1]=[C:2]-[c:4].[O:3]=[C:16]-[c:15]:1:[c:6](-[O:5]):[c:7]:[c:8]:[c:9](-[C:10](-[F:11])(-[F:12])-[F:13]):[c:14]:1	1	9119
+[c:1]-[C:2](-[Cl:3])-[C:4](=[O:5])-[O:6]>>[c:1]-[C:2](-[C:4](=[O:5])-[O:6])-[O:10].[Cl:3]-[S:8](=[O:7])-[Cl:9]	1	9122
+[C:1]-[C:2](-[N:3]=[N+:6]=[N-:5])-[C:4]>>[C:1]-[C:2](-[C:4])-[Br:7].[N-:3]=[N+:6]=[N-:5]	1	9139
+[C:1](=[O:2])-[O:3]>>[C:1](=[O:2])-[O:3]-[C:6]-[C:5]=[C:4]	1	9145
+[C:1]-[C:2](=[C:3]-[O:5])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:19].[C:3](-[O:5])-[P+:24](-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)(-[c:23]:2:[c:17]:[c:18]:[c:20]:[c:21]:[c:22]:2)-[c:25]:3:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:3	1	9167
+[C:1]-[C:2]-1(-[C:3])-[N:4]-[C:5](-[C:6](=[O:7])-[O:8])-[C:9]-[S:10]-1>>[C:1]-[C:2](-[C:3])=[O:11].[N:4]-[C:5](-[C:6](=[O:7])-[O:8])-[C:9]-[S:10]	1	9174
+[C:1]=[C:2]-[C:3](-[O:4])(-[C:5])-[C:6]>>[C:1]=[C:2]-[Mg:8]-[Br:7].[C:3](=[O:4])(-[C:5])-[C:6]	1	9179
+[C:1]-[C:2](-[C:3])-[C:5](-[C:4])=[O:6]>>[C:2](-[C:3])-[C:5](-[C:4])=[O:6].[C:1]-[I:7]	1	9180
+[C:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:7]>>[C:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[O:7])-[C:11](-[O:10]-[C:9]-[C:8])=[O:12]	1	9197
+[C:1]-[C:2](-[O:3]-[c:4](:[c:5]):[n:6])-[C:7]>>[C:1]-[C:2](-[C:7])-[O:8].[O:3]-[c:4](:[c:5]):[n:6]	1	9231
+[C:1]-[C:2](-[N:3])-[C:4]>>[C:1]-[C:2](-[C:4])-[C:14](=[O:13])-[O:15].[N:3](=[N+:17]=[N-:16])-[P:18](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(=[O:19])-[c:20]:2:[c:6]:[c:5]:[c:23]:[c:22]:[c:21]:2	1	9239
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:2-[C:6](=[O:7])-[N:8]-[C:9](-[N:10])=[N:11]-[n:12]:1:2>>[C:1]-[C:2](-[N:3]-[C:4]-[c:5]:1:[c:6](-[O:7]):[n:8]:[c:9](-[N:10]):[n:11]:[n:12]:1)=[O:13]	1	9244
+[C:1](-[C:2])(-[C:3])=[O:4]>>[C:1](-[C:3])(-[O:4])=[O:5].[C:2]-[Li:6]	1	9253
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]=[O:3].[O:4]-[P:6](=[O:5])(-[O:7])-[O:8]	1	9267
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[o:7]):[n:8]>>[C:1]-[N:2].[C:3](-[O:4])(-[c:5](:[c:6]:[o:7]):[n:8])=[O:9]	1	9304
+[C:1]-[C:2](-[C:4]-[C:3](=[O:5])-[O:6])=[O:7]>>[C:1]-[C:2](=[O:7])-[O:8].[C:3](-[C:4])(=[O:5])-[O:6]	1	9312
+[c:1]:[c:2]:1:[c:3]:[c:4](-[C:5]):[o:6]:[c:7]:1:[c:8]>>[c:1]:[c:2](-[C:3]#[C:4]-[C:5]):[c:7](-[O:6]):[c:8]	1	9325
+[C:1]-[N:2](-[C:3])-[S:4](=[O:5])(=[O:6])-[c:7](:[c:8]):[c:9]>>[C:1]-[N:2]-[C:3].[c:7](:[c:8]):[c:9].[S:4](=[O:5])(=[O:6])(-[O:10])-[Cl:11]	1	9335
+[C:1]-[N:2](-[C:3])-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1>>[C:1]-[N:2]-[C:3].[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[Br:10]	1	9356
+[C:1]-[N:2](-[C:3]=[O:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](=[O:4])-[n:14]:1:[c:9]:2:[c:8]:[c:7]:[c:6]:[c:11]:[c:10]:2:[n:12]:[n:13]:1	1	9359
+[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[c:8](-[N:9]):[n:10]:1>>[c:4](:[c:5])(:[c:7](:[c:6])-[C:8]#[N:9])-[F:11].[N:1]-[C:2](-[N:3])=[N:10]	1	9385
+[C:1]-[C:2]=[C:3](-[N:4](-[C:5])-[C:6])-[C:7]>>[N:4](-[C:5])-[C:6].[C:1]-[C:2]-[C:3](-[C:7])=[O:8]	1	9390
+[n:1]:[c:2](-[C:3](=[N:4]-[O:5])-[N:6]):[n:7]>>[n:1]:[c:2](-[C:3]#[N:6]):[n:7].[N:4]-[O:5]	1	9392
+[C:1]-1=[N:2]-[O:3]-[C:4](=[O:5])-[N:6]-1>>[C:1](=[N:2]-[O:3])-[N:6].[C:4](=[O:5])(-[n:9]:1:[c:8]:[c:7]:[n:16]:[c:15]:1)-[n:10]:2:[c:11]:[c:12]:[n:13]:[c:14]:2	1	9397
+[C:1]-[C:2]-1=[C:3](-[C:4])-[N:5](-[C:6])-[N:7]-[C:8]-1=[O:9]>>[C:1]-[c:2]:1:[c:3](-[C:4]):[n:5](-[C:6]):[n:7]:[c:8]:1-[O:9]-[C:10]	1	9403
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](-[C:6](=[O:7])-[O:9]):[c:8]:1>>[C:1]-[N:2].[C-:3]#[N+:4]-[C:5](-[C:6](=[O:7])-[O:9])=[C:8]-[N:11](-[C:10])-[C:12]	1	9409
+[c:1]:[c:2](-[C:3](=[C:4])-[C:6](-[N:5])=[O:7]):[c:8]:[n:9]>>[C:3](=[C:4])(-[C:6](-[N:5])=[O:7])-[Br:10].[c:1]:[c:2](:[c:8]:[n:9])-[B:12](-[O:11])-[O:13]	1	9437
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[C:9]-[C:8]-[C:7]-[C:6]	1	9442
+[C:1]-[O:2]-[C:3](-[C:4])-[C:5](=[O:6])-[O:7]>>[C:1]-[O:2].[C:3](-[C:4])(-[C:5](=[O:6])-[O:7])=[N+:9]=[N-:8]	1	9444
+[O:1]=[C:2](-[C:3]=[C:4]-[c:5]:[c:7]:[n:6])-[N:8]>>[O:1]=[C:2](-[C:3]-[P:12](-[O:11]-[C:10]-[C:9])(=[O:13])-[O:14]-[C:15]-[C:16])-[N:8].[C:4](-[c:5]:[c:7]:[n:6])=[O:17]	1	9449
+[N:1]-[C:2]-[C:3](=[O:4])-[N:5]>>[C:2](-[C:3](=[O:4])-[N:5])-[Cl:6].[N:1]	1	9456
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[c:9](:[s:8]):[c:10]:2:[n:11]:1-[C:12]>>[N:3]-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:9](:[s:8]):[c:10]:1-[N:11]-[C:12].[C:1]-[C:2](-[O:15]-[C:14]-[C:13])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:20]-[C:21]	1	9469
+[O:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1-[C:11]>>[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10]-[C:11].[O:1]-[C:2](-[O:13]-[C:12])(-[O:14]-[C:15])-[O:16]-[C:17]	1	9479
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[n:9]>>[C:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[n:9])-[Cl:10]	1	9482
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[N:7]-[c:8]):[n:9](-[C:10]):[c:11]:2:[n:12]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5]):[c:11](-[N:9]-[C:10]):[n:12]:1.[C:6](=[N:7]-[c:8])=[S:13]	1	9513
+[C:1]=[C:2]-[c:3](:[c:4]):[c:5]>>[c:3](:[c:4])(:[c:5])-[Br:6].[C:1]-[c:2]:1:[c:9]:[c:8]:[c:7]:[c:11]:[c:10]:1	1	9534
+[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](-[C:7]#[N:9]):[n:8]:1):[s:5]>>[c:1]:1:[n:2]:[c:3](:[c:4]:[c:6](:[n:8]:1)-[Cl:10]):[s:5].[C:7]#[N:9]	1	9552
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]#[N:4].[O:3]-[S:6](=[O:5])(=[O:7])-[O:8]	1	9555
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[C:7](=[C:8]-[C:9])-[C:10]>>[C:7](-[C:8]-[C:9])(-[C:10])=[O:11].[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1	1	9598
+[C:1]-[N:2](-[C:3]-[C:4](=[C:5]-[C:6])-[O:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[C:4](=[C:5]-[C:6])-[O:7])-[Br:9]	1	9614
+[O:1]=[C:2]-1-[N:3]=[C:4](-[N:5](-[C:6])-[C:7])-[S:8]-[C:9]-1>>[N:5](-[C:6])-[C:7].[O:1]=[C:2]-1-[N:3]=[C:4](-[S:8]-[C:9]-1)-[S:11]-[C:10]	1	9634
+[O:1]-[C:2](-[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[O:1]-[C:2](-[O:3])-[N:8](-[C:7])-[C:9]	1	9659
+[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[N:6]-[c:7])-[N:8]-[C:9]-1=[O:10]>>[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[N:8]-[C:9]-1=[O:10])-[Cl:11].[N:6]-[c:7]	1	9667
+[C:1](#[C:2])-[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1](#[C:2])-[C:3]-[C:4]-[S:9](-[C:8])(=[O:10])=[O:11]	1	9693
+[C:1]-[N:2](-[C:3](-[C:4]#[N:5])(-[C:6])-[C:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[C:6])(-[C:7])=[O:13].[C:4](#[N:5])-[C:10](-[C:9])(-[C:11])-[O:12]	1	9710
+[O:1]=[C:2](-[c:3](:[c:4]):[o:5])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[O:1]=[C:2](-[c:3](:[c:4]):[o:5])-[O:9]	1	9726
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[C:6]-[C:7]-[N:8](-[C:9])-[C:10])-[C:11]>>[C:1]-[N:2]-[C:11].[N:8](-[C:9])-[C:10].[S:3](=[O:4])(=[O:5])(-[C:6]-[C:7]-[Cl:13])-[Cl:12]	1	9741
+[C:1]-[N:2](-[S:3](-[C:4])(=[O:5])=[O:6])-[C:7]>>[C:1]-[N:2]-[C:7].[S:3](-[C:4])(=[O:5])(=[O:6])-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11]	1	9759
+[C:1]-[C:2](-[C:3])-[S:4]-[c:5]:1:[n:6]:[c:7](:[c:8](:[c:9]):[n:11]:1):[c:10]>>[C:1]-[C:2](-[C:3])-[Br:12].[S:4]=[C:5]-1-[N:6]-[c:7](:[c:8](:[c:9])-[N:11]-1):[c:10]	1	9820
+[C:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[C:1]-[O:2]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:12]:[c:11]:1.[c:3](:[c:4])(:[c:5])-[O:6]	1	9824
+[N:1](-[C:2])-[C:3]>>[N:1](-[C:2])(-[C:3])-[C:7](-[O:6]-[C:5]=[C:4])=[O:8]	1	9829
+[n:1]:[c:2]:[c:10]:[c:4](:[c:3])-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[n:1]:[c:2]:[c:10]:[c:4](:[c:3])-[Br:20].[c:5]:1(:[c:6]:[n:7]:[n:8]:[c:9]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19]	1	9839
+[C:1]-[C:2]-1=[C:3](-[C:4]#[N:5])-[C:6](-[c:7]:[c:9]:[n:8])-[c:10]:2:[c:11]:[n:12]:[n:13]:[c:14]:2-[N:15]-1>>[C:1]-[C:2](-[C:3]-[C:4]#[N:5])=[O:16].[c:10]:1:[c:11]:[n:12]:[n:13]:[c:14]:1-[N:15].[C:6](-[c:7]:[c:9]:[n:8])=[O:17]	1	9848
+[C:1]-[c:2]:1:[n:3]:[c:4](-[N:5]):[n:6]:[o:7]:1>>[N:3]-[C:4](-[N:5])=[N:6]-[O:7].[C:1]-[C:2](=[O:8])-[O:9]	1	9861
+[c:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[N:3]-[C:4](-[C:5])=[N:6]-[O:7].[c:1]-[C:2](-[O:9]-[C:8])=[O:10]	1	9871
+[C:1]=[C:2]-[C:3](-[O:4])-[C:5]>>[C:1]=[C:2]-[Mg:7]-[Br:6].[C:3](=[O:4])-[C:5]	1	9890
+[C:1]#[C:2]-[C:3]-[O:4]-[c:5](:[c:6]):[c:7]>>[C:1]#[C:2]-[C:3]-[O:4].[c:5](:[c:6])(:[c:7])-[F:8]	1	9892
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[c:1]-[C:2]=[O:11].[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10]	1	9925
+[c:1]:1:[n:2]:[n:3]:2:[c:4](:[n:5]:1):[c:6]:[c:7](-[c:8]):[n:9]:[c:10]:2-[Cl:11]>>[c:1]:1:[n:2]:[n:3]-2:[c:4](:[n:5]:1)-[C:6]=[C:7](-[c:8])-[N:9]-[C:10]-2=[O:16].[Cl:11]-[P:13](=[O:12])(-[Cl:14])-[Cl:15]	1	9929
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[O:6]-[C:5].[N:3]-[C:8]=[O:7]	1	9966
+[C:1]-[C:2]-[C:3](-[N:4]-[C:5]=[O:6])-[C:7]-[C:8]>>[C:3]-1(-[N:4]-[C:5]=[O:6])-[C:18]-[C:17]-[N:16](-[C:15]-[C:14]-[N:13]-2-[C:12]-[C:11]-[C:10]-[C:9]-[C:22]-[C:21]-2)-[C:20]-[C:19]-1.[C:1]-[C:2]-[C:24](-[C:7]-[C:8])-[N:23]	1	9978
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5]=[N:6]-[C:7]=[C:8]-1-[C:9]>>[n:2]:1:[c:3](-[O:4]):[c:5]:[n:6]:[c:7]:[c:8]:1-[C:9].[C:1]-[I:10]	1	9991
+[C:1]-[c:2]:1:[c:3](-[C:4]):[o:5]:[c:6](-[C:7]):[n:8]:1>>[O:5]=[C:6](-[C:7])-[N:8].[C:1]-[C:2](-[C:3](-[C:4])-[Cl:10])=[O:9]	1	10020
+[C:1]-[C:2](=[C:3]-[O:4])-[C:5]>>[C:1]-[C:2](-[C:5])=[O:12].[C:3](-[O:4])-[P+:17](-[c:16]:1:[c:10]:[c:11]:[c:13]:[c:14]:[c:15]:1)(-[c:18]:2:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:2)-[c:24]:3:[c:9]:[c:8]:[c:7]:[c:6]:[c:25]:3	1	10040
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:5]:1)-[S:7](-[C:6])(=[O:8])=[O:9]	1	10066
+[C:1]-[C:2](-[N:3]-[C:7](-[C:6])=[O:8])(-[C:4])-[C:5]>>[C:1]-[C:2](-[C:4])(-[C:5])-[O:8].[N:3]#[C:7]-[C:6]	1	10069
+[O:1]=[C:2](-[C:3])-[N:4]-[N:5]=[C:6](-[C:7])-[C:8]>>[C:6](-[C:7])(-[C:8])=[O:9].[O:1]=[C:2](-[C:3])-[N:4]-[N:5]	1	10095
+[N:1]-[C:2](=[O:3])-[C:4]-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]>>[C:2]-1(=[O:3])-[C:4]-[O:5]-[C:6](=[O:7])-[N:8]-1-[C:9].[N:1]	1	10112
+[c:1]:[c:8](:[n:7]:1:[c:3](:[c:2]):[n:4]:[n:5]:[c:6]:1):[c:9]>>[c:1]:[c:8](:[n:7]:[c:3](:[c:2])-[N:4]-[N:5]):[c:9].[C:6](-[O:12]-[C:11]-[C:10])(-[O:13]-[C:14]-[C:15])-[O:16]-[C:17]-[C:18]	1	10143
+[C:1]-[C:2]-[C:3]#[N:4]>>[C:1]-[C:2](-[C:3]#[N:4])-[C:7](-[O:6]-[C:5])=[O:8]	1	10151
+[n:1]:[c:2]:[c:3](:[c:4]:[n:5])-[N:6]-[C:7](-[C:8])-[C:9]>>[C:7](-[C:8])(-[C:9])=[O:10].[n:1]:[c:2]:[c:3](:[c:4]:[n:5])-[N:6]	1	10170
+[N+:1]-[C:2]-[C:3](-[S:4]-[C:5])(-[C:6])-[C:7]>>[C:3](-[C:6])(-[C:7])=[O:8].[N+:1]-[C:2].[S:4]-[C:5]	1	10174
+[c:1]:[c:2](-[N:3]-[C:4](-[C:5])-[C:6]):[s:7]>>[C:4](-[C:5])(-[C:6])=[O:8].[c:1]:[c:2](-[N:3]):[s:7]	1	10176
+[c:1](-[N:2]-[C:3](-[C:4])-[C:5]):[c:6]:[n:7]>>[C:3](-[C:4])(-[C:5])=[O:8].[c:1](-[N+:2](=[O:9])-[O-:10]):[c:6]:[n:7]	1	10178
+[N:1]-1-[C:2](=[O:3])-[C:4]-[N:5]-[C:6]-1(-[C:7])-[C:8]>>[C:6](-[C:7])(-[C:8])=[O:9].[N:1]-[C:2](=[O:3])-[C:4]-[N:5]	1	10181
+[c:1]:[c:2]:1:[c:3]:[c:4](:[c:5](:[c:6]):[n:8]:1-[C:9](-[c:10])-[C:11]):[n:7]>>[C:9](-[c:10])(-[C:11])-[O:12].[c:1]:[c:2]:1:[c:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[n:7]	1	10195
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[c:6](:[c:7]):[n:8]):[n:9]:1>>[C:1]-[C:2](-[C:3]-[C:4]-[C:5](-[c:6](:[c:7]):[n:8])=[O:11])=[O:10].[N:9]	1	10200
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2):[c:11]:1>>[c:6]:1(:[c:7]:[n:8]:[n:9]:[c:10]:1)-[Br:12].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:11]:1)-[B:14](-[O:13])-[O:15]	1	10227
+[N:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:7]:[n:6]>>[N:1]-[C:2](=[O:3])-[O:10]-[C:9]-[C:8].[N:4]-[c:5]:[c:7]:[n:6]	1	10239
+[N:1]-[C:2](=[O:3])-[N:4]-1-[N:5]=[N:6]-[N:7]-[C:8]-1=[O:9]>>[N:1]-[C:2](=[O:3])-[Cl:10].[N:4]-1=[N:5]-[N:6]-[N:7]-[C:8]-1=[O:9]	1	10241
+[C:1](=[O:2])(-[N:3](-[C:4])-[C:6](-[N:5])=[O:7])-[Cl:8]>>[N:3](-[C:4])-[C:6](-[N:5])=[O:7].[C:1](=[O:2])(-[Cl:8])-[Cl:9]	1	10248
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:9](-[N:8])=[O:10]):[n:11]>>[N:6](-[C:7])-[C:9](-[N:8])=[O:10].[C:4](=[O:5])(-[Cl:12])-[Cl:13].[c:1]:[c:2](-[N:3]):[n:11]	1	10249
+[S:1]-[C:2](-[c:3])-[C:4](-[C:5])-[C:6]>>[C:4](-[C:5])(-[C:6])-[O:7].[S:1]-[C:2]-[c:3]	1	10282
+[O:1]=[C:2](-[C:3](-[O:4]-[C:5])-[c:6])-[O:7]>>[O:4]-[C:5].[O:1]=[C:2](-[C:3](-[c:6])=[N+:9]=[N-:8])-[O:7]	1	10285
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[s:7]>>[c:1]:[c:2](-[C:3](=[O:4])-[O:9]-[C:8]):[s:7].[N:5]-[C:6]	1	10299
+[O:1]=[S:2](=[O:3])(-[Cl:4])-[c:5](:[c:6]):[c:7]>>[c:5](:[c:6])(:[c:7])-[Br:8].[O:1]=[S:2](=[O:3])(-[Cl:4])-[Cl:9]	1	10300
+[c:1](:[c:2]-[C:3](-[C:4](-[C:5])-[C:6])-[O:8]):[s:7]>>[C:4](-[C:5])(-[C:6])-[Mg:10]-[Br:9].[c:1](:[c:2]-[C:3]=[O:8]):[s:7]	1	10309
+[N:1]-[C:2](=[O:3])-[c:4](:[c:5]):[s:6]>>[C:2](=[O:3])(-[c:4](:[c:5]):[s:6])-[O:17].[N:1](-[C:8]-[C:7])=[C:9]=[N:10]-[C:11]-[C:12]-[C:13]-[N:14](-[C:15])-[C:16]	1	10314
+[C:1]-[N:2]-1-[C:3]-[C:4]-[C:5](-[C:6]-[C:7]-1)=[O:8]>>[C:3]-1-[C:4]-[C:5](-[C:6]-[C:7]-[N+:11]-1(-[C:10]-[C:9])-[C:12])=[O:8].[C:1]-[N:2]	1	10319
+[C:1]-[N:2]-1-[C:3]-[C:4](-[C:5])-[C:8](-[C:7](-[C:6])-[C:9]-1)=[O:10]>>[C:4](-[C:5])-[C:8](-[C:7]-[C:6])=[O:10].[C:9]=[O:11].[C:3]-[O:12].[C:1]-[N:2]	1	10320
+[C:1]-[C:2](-[C:3])(-[N:4]-[C:5](=[O:6])-[N:7](-[C:8])-[C:9])-[C:10]>>[C:1]-[C:2](-[C:3])(-[C:5](=[O:6])-[O:11])-[C:10].[N:7](-[C:8])-[C:9].[N:4](=[N+:13]=[N-:12])-[P:14](=[O:15])(-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2	1	10326
+[n:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6](=[O:7])-[N:8]-[C:9]-[C:10](=[O:11])-[N:12](-[C:13])-[C:14]):[c:15]:1:[n:16]>>[N:12](-[C:13])-[C:14].[N:8](-[C:9]-[C:10](=[O:11])-[O:24])-[C:22](-[O:21]-[C:18](-[C:17])(-[C:19])-[C:20])=[O:23].[n:1]:[c:2]:1:[n:3](:[c:4]:[c:5](-[C:6](=[O:7])-[O:33]):[c:15]:1:[n:16])-[C:32]-[O:31]-[C:30]-[C:29]-[Si:26](-[C:25])(-[C:27])-[C:28]	1	10331
+[O:1]=[C:2](-[C:3](-[c:4](:[c:5]):[c:6])-[N:7](-[C:8])-[C:9])-[O:10]>>[N:7](-[C:8])-[C:9].[O:1]=[C:2](-[C:3]=[O:11])-[O:10].[c:4](:[c:5])(:[c:6])-[B:13](-[O:12])-[O:14]	1	10333
+[O:1]-[C:2](=[O:3])-[C:4]-[N:8](-[C:6](-[C:5])=[O:7])-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:8]-[C:6](-[C:5])=[O:7].[C:9](=[O:10])(-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])-[O:23]-[C:21](-[O:20]-[C:17](-[C:16])(-[C:18])-[C:19])=[O:22]	1	10346
+[N:1]-[C:2](=[O:3])-[C:4]-[c:5]:1:[n:6]:[c:7](-[c:8](:[n:9]):[c:10]):[n:11]:[o:12]:1>>[N:6]=[C:7](-[c:8](:[n:9]):[c:10])-[N:11]-[O:12].[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:13])-[O:14]	1	10388
+[c:1]-[N:2]=[C:3]-1-[S:4]-[C:5](=[O:6])-[N:7](-[C:8])-[N:9]-1>>[c:1]-[N:2]-[C:3](=[S:4])-[N:9]-[N:7]-[C:8].[C:5](=[O:6])(-[Cl:10])-[Cl:11]	1	10399
+[c:1]:[c:2](-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-1):[n:10]:[c:11]:[c:12]>>[c:1]:[c:2](:[n:10]:[c:11]:[c:12])-[Cl:22].[C:3]-1(=[C:4]-[C:5](=[O:6])-[N:7]-[C:8]=[C:9]-1)-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21]	1	10413
+[F:1]-[C:2](=[C:3]-[C:4])-[C:5]-[O:6]>>[F:1]-[C:2](=[C:3]-[C:4])-[C:5](=[O:6])-[O:8]-[C:7]	1	10432
+[C:1]-[N:2]-[C:3]-[C:4](-[O:5])-[c:6]>>[C:1]-[N:2].[C:3](-[C:4](=[O:5])-[c:6])(-[O:9]-[C:8]-[C:7])-[O:10]	1	10438
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6])-[C:7]=[O:8]>>[C:5](-[C:6])-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12].[N:1]-[C:2](=[O:3])-[N:4]-[C:7]=[O:8]	1	10443
+[C:1]-[O:2]-[S:3](-[N:4])(=[O:5])=[O:6]>>[C:1]-[O:2].[S:3](-[N:4])(=[O:5])(=[O:6])-[O:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1	1	10464
+[c:1]-[N:2]-[C:3](=[S:4])-[N:7](-[N:5])-[C:6]>>[N:5]-[N:7]-[C:6].[c:1]-[N:2]=[C:3]=[S:4]	1	10473
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:9]-1(-[c:10])-[C:11]-[C:12]-1>>[C:6](=[O:7])(-[C:9]-1(-[c:10])-[C:11]-[C:12]-1)-[O:13].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5].[N:8](=[N+:15]=[N-:14])-[P:16](=[O:17])(-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1)-[c:24]:2:[c:25]:[c:26]:[c:27]:[c:28]:[c:29]:2	1	10484
+[F:1]-[C:2](=[C:3]-[C:4])-[C:5]-[c:6](:[c:7]):[c:8]>>[F:1]-[C:2](=[C:3]-[C:4])-[C:5]-[O:13]-[C:11](-[C:10])=[O:12].[c:6](:[c:7])(:[c:8])-[Br:9]	1	10517
+[O:1]=[C:2](-[C:3]-[C:4]-1-[C:5]-[C:6]-[C:7]-[C:8]-[C:9]-1)-[O:10]>>[O:1]=[C:2](-[C:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1)-[O:10]	1	10524
+[C:1]-[C:2](-[N:3])-[c:4](:[c:5]):[n:6]>>[C:1]-[C:2](-[c:4](:[c:5]):[n:6])=[O:7].[N:3]	1	10531
+[n:1]:[c:2](-[C:3]-[N:4](-[C:5](=[O:6])-[C:7])-[c:10]:[c:9]:[n:8]):[c:11]>>[N:4](-[C:5](=[O:6])-[C:7])-[c:10]:[c:9]:[n:8].[n:1]:[c:2](-[C:3]-[O:16]-[S:13](-[C:12])(=[O:14])=[O:15]):[c:11]	1	10545
+[C:1]-1=[N:2]-[C:3]-[N:4]-[C:5]-1=[N:6].[c:7]:[c:8](-[c:9](:[c:10]):[c:11]):[c:12]>>[C:1]-1=[N:2]-[C:3]-[N:4]=[C:5]-1-[N:6].[c:7]:[c:8](:[c:12])-[Br:13].[c:9](:[c:10])(:[c:11])-[B:18]-1-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-1)(-[C:21])-[C:22]	1	10548
+[C:1]-1=[N:2]-[C:3]-[N:4]-[C:5]-1=[N:6].[c:7]:[c:8](-[c:9](:[c:10]):[c:11]):[c:12]>>[C:1]-1=[N:2]-[C:3]-[N:4]=[C:5]-1-[N:6].[c:7]:[c:8](:[c:12])-[Br:13].[c:9](:[c:10])(:[c:11])-[B:15](-[O:14])-[O:16]	1	10549
+[C:1]-1=[N:2]-[C:3]-[N:4]=[C:5]-1-[N:6]>>[C:1]-1=[N:2]-[C:3]-[N:4]-[C:5]-1=[S:7].[N:6]	1	10556
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[n:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:1:[n:13]>>[n:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:1:[n:13].[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[O:21]-[C:19](-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])=[O:20]	1	10557
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[N:6])-[C:7]>>[C:1]-[N:2]-[C:7].[S:3](=[O:4])(=[O:5])(-[N:6])-[Cl:8]	1	10568
+[c:1]-[S:2]-[C:3]-1-[C:4]-[C:5]-1>>[C:3]-1(-[C:4]-[C:5]-1)-[Br:6].[c:1]-[S:2]	1	10571
+[c:1]-[O:2]-[C:3]-[C:4]#[C:5]-[C:6]>>[C:3](-[C:4]#[C:5]-[C:6])-[O:15]-[S:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[C:7]):[c:17]:[c:16]:1)(=[O:13])=[O:14].[c:1]-[O:2]	1	10576
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]-1(-[C:6]#[N:7])-[C:8]-[C:9]-1):[c:10]>>[C:5]-1(-[C:6]#[N:7])-[C:8]-[C:9]-1.[c:1]:[c:2]:[n:3]:[c:4](:[c:10])-[F:11]	1	10579
+[C:1](=[O:2])-[c:3]:1:[c:4](-[C:5]):[o:6]:[n:7]:[c:8]:1>>[C:1](=[O:2])-[C:3](-[C:4](-[C:5])=[O:12])=[C:8]-[O:11]-[C:10]-[C:9].[O:6]-[N:7]	1	10580
+[c:1]-[n:2]:1:[n:3]:[c:4](-[C:5]):[c:6](:[c:7]:1-[c:8](:[c:9]:[n:11]):[s:12])-[C:10]>>[C:4](-[C:5])(-[C:6](-[C:7](-[c:8](:[c:9]:[n:11]):[s:12])=[O:13])-[C:10])=[O:14].[c:1]-[N:2]-[N:3]	1	10583
+[N:1]-[C:2]=[C:3](-[C:4]=[O:5])-[C:6](=[O:7])-[C:8]>>[C:3](-[C:4]=[O:5])-[C:6](=[O:7])-[C:8].[N:1]-[C:2](-[O:10]-[C:9])-[O:11]-[C:12]	1	10585
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[n:5]:[n:6]:[c:7](-[C:8]):[n:9]:2:[c:10]:1:[c:11]>>[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5]-[N:6]-[C:7](-[C:8])=[O:12]):[n:9]:[c:10]:1:[c:11]	1	10639
+[C:1]-[C:2]=[C:3](-[C:4](=[O:5])-[N:6]-[c:7])-[C:8](=[O:9])-[N:10]>>[N:6]-[c:7].[C:1]-[C:2]=[C:3](-[C:4](=[O:5])-[O:11])-[C:8](=[O:9])-[N:10]	1	10640
+[C:1](=[O:2])-[C:3]-[C:4]-[C:5]-[Cl:6]>>[C:1](=[O:2])-[C:3]-1-[C:4]-[C:5]-1.[Cl:6]	1	10647
+[C:1]-[C:2](-[C:5]-[C:3](-[C:4])=[O:7])=[O:6]>>[C:3](-[C:4])(-[C:5])=[O:7].[C:1]-[C:2](=[O:6])-[O:10]-[C:9]-[C:8]	1	10653
+[C:1](-[C:2](=[O:3])-[c:4](:[n:5]):[c:6])-[C:7](=[O:8])-[C:9]>>[C:1]-[C:7](=[O:8])-[C:9].[C:2](=[O:3])(-[c:4](:[n:5]):[c:6])-[O:12]-[C:11]-[C:10]	1	10655
+[C:1]-[C:2]-[C:3](-[C:4](-[C:5])=[O:9])-[C:6](=[O:7])-[O:8]>>[C:3](-[C:4](-[C:5])=[O:9])-[C:6](=[O:7])-[O:8].[C:1]-[C:2]-[Br:10]	1	10668
+[C:1]-[c:8]:1:[n:3](-[C:2]):[c:4](-[C:5]):[n:6]:[n:7]:1>>[C:4](-[C:5])(-[N:6]-[N:7])=[O:9].[C:1]-[C:8](-[N:3]-[C:2])=[S:10]	1	10692
+[c:1]-[n:2]:1:[n:3]:[n:4]:[n:5]:[c:6]:1-[C:7]>>[c:1]-[N:2]-[C:6](-[C:7])=[O:12].[N+:3](=[N:4]-[Si:9](-[C:8])(-[C:10])-[C:11])=[N-:5]	1	10693
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[c:6]):[s:7]):[n:8]>>[N:5]-[c:6].[c:1](:[c:2](-[C:3](=[O:4])-[O:9]):[s:7]):[n:8]	1	10703
+[C:1]-1=[N:2]-[O:3]-[C:4](-[O:5])(-[C:6])-[C:7]-1-[c:8]>>[C:4](=[O:5])(-[C:6])-[O:10]-[C:9].[C:1](=[N:2]-[O:3])-[C:7]-[c:8]	1	10717
+[c:1]-[C:2]=[C:3]-[C:4](-[F:5])=[C:6]-[C:7]>>[C:3](-[C:4](-[F:5])=[C:6]-[C:7])=[O:8].[c:1]-[C:2]-[P+:13](-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:27]:[c:26]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	1	10724
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[Cl:6]):[n:7]:1:[c:8]>>[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:7]:1:[c:8].[Cl:6]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	1	10730
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[I:6]):[n:7]:1:[c:8]>>[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:7]:1:[c:8].[I:6]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	1	10731
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[C:3](-[C:4])=[O:13].[C:5](=[O:6])(-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11])-[O:12]-[C:19](-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])=[O:20].[C:1]-[N:2]	1	10748
+[O:1]-[C:2](-[C:3])-[C:4](-[C:5](=[O:6])-[O:7])-[N:8]>>[O:1]=[C:2]-[C:3].[C:4](-[C:5](=[O:6])-[O:7])-[N:8]	1	10754
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[N:6](-[C:7]-[C:8])-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15]>>[C:7](-[C:8])-[Br:16].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[N:6]-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15]	1	10768
+[N:1]-[C:2]-1=[C:3](-[N:4])-[N:5](-[C:6]-[C:7])-[C:8](=[O:9])-[N:10]-[C:11]-1>>[C:6](-[C:7])-[Br:12].[N:1]-[C:2]-1=[C:3](-[N:4])-[N:5]-[C:8](=[O:9])-[N:10]-[C:11]-1	1	10769
+[N:1]-[O:2]-[C:3]-[C:4]>>[C:3](-[C:4])-[Br:5].[N:1]-[O:2]	1	10778
+[c:1]:[c:2]:1-[C:3](=[O:4])-[N:5](-[C:6]-[C:7])-[C:8]=[C:9]-[c:10]:1:[c:11]>>[C:6](-[C:7])-[Br:12].[c:1]:[c:2]:1:[c:3](-[O:4]):[n:5]:[c:8]:[c:9]:[c:10]:1:[c:11]	1	10785
+[c:1]:1:[n:2]:[c:3]-2:[c:4](:[c:5]:[n:6]:1)-[C:7](=[O:8])-[N:9](-[C:10]-[C:11])-[C:12]=[C:13]-2>>[C:10](-[C:11])-[Br:14].[c:1]:1:[n:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[c:7](-[O:8]):[n:9]:[c:12]:[c:13]:2	1	10797
+[C:1]-[C:2](-[C:3])(-[O:4])-[c:5](:[c:6]):[n:7]>>[C:1]-[C:2](=[O:4])-[c:5](:[c:6]):[n:7].[C:3]-[Mg+:8]	1	10801
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[o:7]:1>>[N:3]=[C:4](-[C:5])-[N:6]-[O:9].[C:1]-[C:2](-[O:7])=[O:8]	1	10806
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:2:[c:6](-[C:7]):[n:8]:[n:9]:[c:10]:1:2>>[c:1]:1:[c:2]:[c:3]:[n:9]:[n:5]:[c:10]:1-[N:4]-[N:8]-[C:6](-[C:7])=[O:11]	1	10807
+[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:7]:1-[N:8]-[C:9]>>[N:8]-[C:9].[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:7]:1-[Cl:10]	1	10844
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]=[C:7]-[C:8](-[O:9])=[O:10]>>[N:4]-[C:5].[c:1]-[C:2](=[O:3])-[O:11]-[C:6]=[C:7]-[C:8](-[O:9])=[O:10]	1	10846
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5]=[O:8]):[n:6]:[c:7]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:6]:[c:7]:1.[C:5](=[O:8])-[N:10](-[C:9])-[C:11]	1	10856
+[N:1]-[C:2]=[C:3]-[C:4]-[O:5]>>[N:1]-[C:2]=[C:3]-[C:4](-[O:5])=[O:6]	1	10867
+[n:1]:[c:2]:[c:3](-[B:4](-[O:5])-[O:6]):[c:7]:[n:8]>>[n:1]:[c:2]:[c:3](:[c:7]:[n:8])-[Br:9].[B:4]-1(-[O:5]-[C:15](-[C:16])(-[C:17])-[C:18](-[O:6]-1)(-[C:19])-[C:20])-[B:14]-2-[O:13]-[C:11](-[C:10])(-[C:12])-[C:22](-[O:21]-2)(-[C:23])-[C:24]	1	10884
+[C:1](-[C:2](=[O:3])-[O:11])-[C:4](=[O:5])-[N:6]-[C:7]-[C:8](=[O:9])-[N:10]>>[N:6]-[C:7]-[C:8](=[O:9])-[N:10].[C:1](-[C:2](=[O:3])-[O:11])-[C:4](=[O:5])-[O:12]	1	10889
+[S:1]-[N:2](-[C:3])-[c:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1>>[S:1]-[N:2]-[C:3].[c:4]:1(:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:10]	1	10899
+[C:1]-[N:2](-[C:3])-[c:4](:[n:5]):[c:7]:[n:6]>>[N:2](-[C:3])-[c:4](:[n:5]):[c:7]:[n:6].[C:1]-[I:8]	1	10904
+[C:1](=[O:2])(-[O:3]-[C:4])-[O:5]>>[O:3]-[C:4].[C:1](=[O:2])(-[O:5])-[O:13]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11]	1	10912
+[C:1]-[C:10]=[C:5](-[C:3](-[N:2])=[O:4])-[O:6]-[C:7](-[F:8])-[F:9]>>[C:1]-[C:10]=[C:5](-[C:3](-[N:2])=[O:4])-[O:6].[C:7](-[F:8])(-[F:9])(-[C:12](=[O:11])-[O:13])-[Cl:14]	1	10931
+[C:1]-[C:12]=[C:5](-[C:3](-[N:2])=[O:4])-[O:6]-[C:7]-[C:8](-[F:9])(-[F:10])-[F:11]>>[C:1]-[C:12]=[C:5](-[C:3](-[N:2])=[O:4])-[O:6].[C:7](-[C:8](-[F:9])(-[F:10])-[F:11])-[O:16]-[S:14](=[O:13])(=[O:15])-[C:17](-[F:18])(-[F:19])-[F:20]	1	10932
+[O:1]=[C:2](-[O:3]-[C:8])-[c:4](:[c:5]:[n:6]):[c:7]>>[c:4](:[c:5]:[n:6])(:[c:7])-[Br:9].[O:3]-[C:8].[O:1]=[C:2]-[N:11](-[C:10])-[C:12]	1	10933
+[c:1]:1:[c:2]:[n:3](-[C:4]-[O:5]):[c:6](:[c:7]:1:[n:8]):[c:10]:[n:9]>>[c:1]:1:[c:2]:[n:3]:[c:6](:[c:7]:1:[n:8]):[c:10]:[n:9].[C:4](-[O:5])-[Cl:11]	1	10943
+[n:1]:1:[c:2]:[c:3](-[N:4]-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]):[c:10]:[n:11]:1>>[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Cl:12].[n:1]:1:[c:2]:[c:3](-[N:4]):[c:10]:[n:11]:1	1	10955
+[n:1]:[c:2](-[C:3]-[N:4]-[C:5]):[n:6]>>[N:4]-[C:5].[n:1]:[c:2](-[C:3]-[O:15]-[S:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[C:7]):[c:17]:[c:16]:1)(=[O:13])=[O:14]):[n:6]	1	10997
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[N:6]-[C:7])-[C:8]=[O:9]>>[N:6]-[C:7].[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[N:11](-[C:10])-[C:12])-[C:8]=[O:9]	1	11010
+[O:1]=[C:2](-[N:3]-[C:4])-[C:5](=[N:6])-[C:7]=[O:8]>>[N:3]-[C:4].[O:1]=[C:2](-[C:5](=[N:6])-[C:7]=[O:8])-[O:9]	1	11023
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:4]-[C:5].[c:1]-[C:2](=[O:3])-[n:8]:1:[c:7]:[c:6]:[n:10]:[c:9]:1	1	11053
+[n:1]:1-[C:2]-[C:3]-[N:4](-[C:5])-[C:6]-[c:7]:1:[c:8]>>[N:4]-[C:5].[n:1](-[C:2]-[C:3]-[Br:9]):[c:7](-[C:6]-[Br:10]):[c:8]	1	11067
+[s:1]:[c:2](-[C:3](-[N:4])=[O:5]):[c:6]>>[s:1]:[c:2](-[C:3](-[O:5])=[O:7]):[c:6].[N:4]	1	11079
+[n:1]:[c:3](:[n:2]):[c:4](-[N:5]-[C:6]):[n:7]>>[n:1]:[c:3](:[n:2]):[c:4](-[N:5](-[C:6])-[C:14]-[c:13]:1:[c:12]:[c:11]:[c:10](-[O:9]-[C:8]):[c:16]:[c:15]:1):[n:7]	1	11080
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[C:10](=[C:11]-[C:12])-[C:14]=[C:13]):[c:15]:[c:16]:1>>[O:9]-[C:10](=[C:11]-[C:12])-[C:14]=[C:13].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:17]):[c:15]:[c:16]:1	1	11081
+[C:1](=[O:2])-[N:3](-[N:4])-[C:5](=[O:6])-[N:7]>>[C:1](=[O:2])-[N:3]-[C:5](=[O:6])-[N:7].[N:4]-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:20]:[c:16]:1-[N+:17](=[O:18])-[O-:19]	1	11085
+[c:1]:[c:2](:[c:3])-[N:7](-[C:5](-[N:4])=[O:6])-[C:8]>>[c:1]:[c:2](:[c:3])-[F:9].[N:4]-[C:5](=[O:6])-[N:7]-[C:8]	1	11124
+[C:1](-[c:2]:[c:4]:[n:3])=[O:5]>>[C:1]-1(-[c:2]:[c:4]:[n:3])-[O:5]-[C:9]-[C:6]-[C:7]-[O:8]-1	1	11131
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[C:7]):[n:8]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[N:11].[C:6](-[C:7])(=[N:8])-[O:10]-[C:9]	1	11133
+[N:1]-[C:2]=[C:3]-[N:4]>>[N:1]-[C:2]=[C:3](-[N:4])-[Br:5]	1	11140
+[c:1]-[N:2](-[C:3]=[N:4]-[c:5])-[C:6]=[O:7]>>[c:1]-[N:2]-[C:6]=[O:7].[N+:4](-[c:5])(=[O:8])-[O-:9].[C:3](-[C:10])-[O:11]	1	11144
+[O:1]=[C:2](-[N:3])-[c:4]:1:[n:5]:[c:6]:2:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:2:[n:12]:1-[c:13]>>[O:1]=[C:2](-[N:3])-[C:4](=[O:14])-[O:15].[N:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:1-[N:12]-[c:13]	1	11152
+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[C:6])-[C:7]>>[N:3](-[C:4](=[O:5])-[C:6])-[C:7].[C:1]-[C:2]-[Cl:8]	1	11154
+[C:1](#[N:2])-[c:3]:1:[c:4](:[n:5]:[c:6](-[N:7]):[n:8]:[c:9]:1-[c:10]:[c:12]:[n:11])-[O:13]>>[N:5]-[C:6](-[N:7])=[N:8].[C:1](#[N:2])-[C:3]-[C:4](=[O:13])-[O:16]-[C:15]-[C:14].[C:9](-[c:10]:[c:12]:[n:11])=[O:17]	1	11157
+[C:1]-[C:2]-[O:3]-[c:4].[C:5]-[N:6]=[C:7]-1-[N:8]-[C:9]=[C:10]-[N:11]-[C:12]-1=[O:13]>>[O:3]-[c:4].[C:5]-[N:6]-[C:7]-1=[N:8]-[C:9]=[C:10]-[N:11]-[C:12]-1=[O:13].[C:1]-[C:2]-[O:22]-[S:19](-[c:18]:1:[c:17]:[c:16]:[c:15]:[c:14](:[c:23]:1)-[N+:25](=[O:24])-[O-:26])(=[O:20])=[O:21]	1	11166
+[c:1]-[N:2]-1-[C:3]=[N:4]-[c:5]:[c:6]-[C:7]-1=[O:8]>>[c:1]-[N:2].[N:4]-[c:5]:[c:6]-[C:7](=[O:8])-[O:10].[C:3](-[O:12]-[C:11])(-[O:13]-[C:14])-[O:15]-[C:9]	1	11168
+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[c:6](:[c:7](:[c:8]):[n:10]:1-[C:11]):[c:9]>>[n:1]:[c:2]:[c:3]-[C:4](-[N:5]-[c:6](:[c:7](:[c:8])-[N:10]-[C:11]):[c:9])=[O:12]	1	11193
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[s:7]):[c:8]:[n:9]>>[C:3](=[O:4])(-[c:5](:[c:6]:[s:7]):[c:8]:[n:9])-[O:10].[c:1]-[N:2]	1	11202
+[N:1](-[c:2]:1:[n:3]:[c:4](:[c:5]):[n:6]:[c:7]:[c:8]:1)=[N+:10]=[N-:9]>>[c:2]:1(:[n:3]:[c:4](:[c:5]):[n:6]:[c:7]:[c:8]:1)-[Cl:11].[N-:1]=[N+:10]=[N-:9]	1	11208
+[N:1]-[C:2]=[C:3](-[N:4]-[S:5](=[O:6])(=[O:7])-[C:8])-[C:9]=[C:10]>>[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:11].[N:1]-[C:2]=[C:3](-[N:4])-[C:9]=[C:10]	1	11246
+[c:1]:[c:2](-[C:3]-[S:4](=[O:5])(=[O:6])-[C:7]):[n:8]>>[S:4](=[O:5])(-[O:6])-[C:7].[c:1]:[c:2](-[C:3]-[I:9]):[n:8]	1	11257
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[C:6])-[c:7]>>[O:1]-[C:2](=[O:3])-[C:4](-[c:7])=[O:8].[C:5](-[C:6])-[P+:13](-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:27]:[c:26]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	1	11258
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[C:6]-1-[C:7]-[C:8]-1>>[C:6]-1(-[C:7]-[C:8]-1)-[Mg:10]-[Br:9].[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:13](-[O:12]-[C:11])-[C:14]	1	11261
+[C:1](-[C:2])(-[c:3])(-[C:4]-1-[C:5]-[C:6]-1)-[O:7]>>[C:4]-1(-[C:5]-[C:6]-1)-[Mg:9]-[Br:8].[C:1](-[C:2])(-[c:3])=[O:7]	1	11263
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2](:[n:3]:[c:4]:[n:5]:1)-[I:6]	1	11264
+[O:1]=[C:2]-1-[C:3]-[N:4]=[C:5](-[n:6]:2:[c:7]:[n:8]:[c:9]:[c:10]:2)-[C:11]=[C:12]-[N:13]-1>>[n:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:1.[O:1]=[C:2]-1-[C:3]-[N:4]-[C:5](-[C:11]=[C:12]-[N:13]-1)=[O:14]	1	11266
+[C:1](=[O:2])(-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])-[O:8]>>[c:3](:[n:4]:[c:5]:[c:6]):[c:7].[C:1](=[O:2])=[O:8]	1	11285
+[O:1]=[C:2](-[N:3](-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[C:10])-[N:11]>>[O:1]=[C:2](-[N:3]-[C:10])-[N:11].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[I:12]	1	11291
+[O:1]=[C:2](-[N:3](-[c:4](:[c:5]:[c:6]:[s:7]):[c:8])-[C:9])-[N:10]>>[O:1]=[C:2](-[N:3]-[C:9])-[N:10].[c:4](:[c:5]:[c:6]:[s:7])(:[c:8])-[Br:11]	1	11292
+[C:1]-[C:6](-[C:3](-[C:2])=[C:4]-[c:5])=[O:7]>>[C:4](-[c:5])=[O:8].[C:1]-[C:6](-[C:3]-[C:2])=[O:7]	1	11304
+[c:1]:[c:2](-[N:3]-1-[C:4]=[C:5]-[C:6](-[O:7])=[C:8]-[C:9]-1=[O:10]):[c:11]:[n:12]>>[c:1]:[c:2](:[c:11]:[n:12])-[I:13].[n:3]:1:[c:4]:[c:5]:[c:6](-[O:7]):[c:8]:[c:9]:1-[O:10]	1	11315
+[c:1]:[c:2](:[c:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[N:4]-[c:5](:[n:6]):[c:7].[c:1]:[c:2](:[c:3])-[F:8]	1	11336
+[c:1]:1:[c:2]:[n:3]:[c:4](-[n:5]:2:[c:6]:[c:7]:[c:8]:[c:10]:2:[c:9]):[n:11]:[c:12]:1>>[n:5]:1:[c:6]:[c:7]:[c:8]:[c:10]:1:[c:9].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:11]:[c:12]:1)-[Cl:13]	1	11356
+[c:1]:[c:2](-[N:3]-1-[N:4]=[C:5]-[c:6](:[c:7]):[c:9](:[c:8])-[C:10]-1=[O:11]):[c:12]>>[n:3]:1:[n:4]:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[c:10]:1-[O:11].[c:1]:[c:2](:[c:12])-[Br:13]	1	11381
+[c:1]:1:[c:2]:[o:3]:[c:4](-[O:5]-[c:6]):[n:7]:1>>[O:5]-[c:6].[c:1]:1:[c:2]:[o:3]:[c:4](:[n:7]:1)-[Cl:8]	1	11386
+[c:1]:1:[n:2]:[c:3]-2:[c:4](:[c:5]:[n:6]:1)-[C:7]=[C:8](-[Br:9])-[C:10](=[O:11])-[N:12]-2-[C:13]-[c:14]>>[C:13](-[c:14])-[Cl:15].[c:1]:1:[n:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[c:7]:[c:8](-[Br:9]):[c:10](-[O:11]):[n:12]:2	1	11387
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5]-1):[n:6]:[c:7]:[c:8]>>[c:1]:[c:2](:[n:6]:[c:7]:[c:8])-[Cl:9].[C:3]-1(-[C:4]-[C:5]-1)-[B:11](-[O:10])-[O:12]	1	11388
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](-[C:6]):[n:7]:[o:8]:1):[n:9]>>[c:1]:[c:2](-[C:3](=[O:10])-[O:11]):[n:9].[N:4]-[C:5](-[C:6])=[N:7]-[O:8]	1	11392
+[C:1](-[c:2](:[n:3]):[s:4])(-[N:5]-[c:6])=[O:7]>>[C:1](-[c:2](:[n:3]):[s:4])(=[O:7])-[Cl:8].[N:5]-[c:6]	1	11401
+[c:1]:[c:2]:1:[c:3](:[c:4]:[c:5](-[c:6](:[n:7]):[s:8]):[n:9]:[c:10]:1:[c:11])-[O:12]>>[c:1]:[c:2](-[C:3](-[C:4])=[O:12]):[c:10](-[N:9]-[C:5](-[c:6](:[n:7]):[s:8])=[O:13]):[c:11]	1	11402
+[C:1]#[C:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[n:7]:1)-[I:12].[C:1]#[C:2]-[Si:9](-[C:8])(-[C:10])-[C:11]	1	11403
+[c:1]:[c:3](:[n:2])-[N:4]>>[c:1]:[c:3](:[n:2])-[N:4](-[C:5])-[C:6]	1	11407
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6](-[c:7](:[n:8]):[c:9]):[n:10]:[c:11]:2:[n:12]:1>>[C:6](-[c:7](:[n:8]):[c:9])=[O:13].[c:1]:1:[c:2]:[c:3]:[c:4](-[N+:5](=[O:14])-[O-:15]):[c:11](-[N:10]):[n:12]:1	1	11414
+[C:1]=[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Cl:8].[C:1]=[C:2]-[B-:10](-[F:9])(-[F:11])-[F:12]	1	11419
+[C:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1:[n:8]>>[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:1:[n:8].[C:1]-[C:2]-[Br:9]	1	11424
+[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5]-[C:6]-1=[O:7])-[Cl:8]>>[N:1]-1-[C:2]=[C:3]-[C:4](=[C:5]-[C:6]-1=[O:7])-[O:13].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	1	11425
+[N:1]-1-[C:2]=[C:3]-[C:4](-[O:5]-[C:6])=[C:7]-[C:8]-1=[O:9]>>[N:1]-1-[C:2]=[C:3]-[C:4](=[C:7]-[C:8]-1=[O:9])-[Cl:10].[O:5]-[C:6]	1	11426
+[O:1]-[C:2]-[C:3]>>[O:1]-[C:2].[C:3]-[C:5]-[I:4]	1	11449
+[C:1]=[C:2]-[C:3](-[O:4]-[C:5]-[c:6](:[c:7]):[s:8])=[C:9]-[C:10]>>[C:1]=[C:2]-[C:3](-[O:4])=[C:9]-[C:10].[C:5](-[c:6](:[c:7]):[s:8])-[Cl:11]	1	11454
+[N:1]-1-[C:2](=[O:3])-[c:4]:2:[c:5](:[n:6]:[c:7](-[C:8]):[n:9]:2)-[N:10]-[C:11]-1=[O:12]>>[C:7](-[C:8])(-[O:15]-[C:14]-[C:13])=[O:16].[N:1]-1-[C:2](=[O:3])-[C:4](=[C:5](-[N:6])-[N:10]-[C:11]-1=[O:12])-[N:9]	1	11466
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[C:7]>>[C:1]-[C:2](-[N:6]-[C:7])=[O:12].[N-:3]=[N+:4]=[N:5]-[Si:9](-[C:8])(-[C:10])-[C:11]	1	11471
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[C:1]-[C:2](-[N:3]-[N:4])=[O:7].[C:5](-[c:6])(=[O:8])-[O:9]	1	11473
+[c:1]:[c:2]:1:[c:3](:[n:4]:[c:5](-[C:6]=[N:7]):[n:8]:1):[c:9]>>[C:5](-[C:6]=[N:7])(=[O:10])-[O:11].[c:1]:[c:2](:[c:3](-[N:4]):[c:9])-[N+:8](=[O:12])-[O-:13]	1	11493
+[c:1]:1:[n:2]:[n:3]:[n:4]:[n:5]:1-[C:6]>>[c:1]:1:[n:2]:[n:3]:[n:4]:[n:5]:1.[C:6]-[I:7]	1	11537
+[c:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[n:7]:1-[c:8]>>[c:1]-[C:2](-[C:3]#[C:4]-[C:5])=[O:9].[N:6]-[N:7]-[c:8]	1	11560
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[c:3](:[c:4])(:[c:5])-[B:8](-[O:7])-[O:9]	1	11575
+[c:1]:[c:2](-[c:3](:[c:4]):[c:6](:[c:5]):[n:7]):[c:8]:[n:9]>>[c:3](:[c:4])(:[c:6](:[c:5]):[n:7])-[Br:10].[c:1]:[c:2](:[c:8]:[n:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	1	11593
+[O:1]=[C:2]-1-[N:3]-[c:4]:[c:5]-[C:6](=[O:7])-[N:8]-1-[C:9]>>[N:8]-[C:9].[O:1]=[C:2](-[O:16]-[C:13](-[Cl:12])(-[Cl:14])-[Cl:15])-[O:17]-[C:18](-[Cl:19])(-[Cl:20])-[Cl:21].[N:3]-[c:4]:[c:5]-[C:6](=[O:7])-[O:11]-[C:10]	1	11596
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[C:6](-[C:7])-[C:8]>>[C:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[C:6]-[C:8]-[C:7])-[Cl:9]	1	11628
+[C:1]-[N:2]=[C:4](-[c:3])-[c:5]>>[C:1]-[N:2].[c:3]-[C:4](-[c:5])=[N:6]	1	11636
+[N:1]-[C:2]-[C:3]-[C:4]-[O:5]>>[N:1]#[C:2]-[C:3]-[C:4](=[O:5])-[O:8]-[C:7]-[C:6]	1	11638
+[C:1]-[N:2]=[N:3]-[C:4]>>[C:1]-[N:2].[N:3]-[C:4]	1	11646
+[N:1]-[C:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[N:1]#[C:2]-[C:6].[c:3](:[c:4])(:[c:5])-[C:11](-[C:10]-1(-[N:8](-[C:7])-[C:9])-[C:13]-[C:14]-[C:15]-[C:16]-1)-[N:12]	1	11650
+[c:1]:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]-[C:7](-[N:8])=[O:9]):[c:10]>>[N:5]-[C:6]-[C:7](-[N:8])=[O:9].[c:1]:[c:2]:[n:3]:[c:4](:[c:10])-[Cl:11]	1	11651
+[O:1]=[C:2](-[C:3])-[N:4]-[O:5]-[C:7](-[C:6])(-[C:8])-[C:9]>>[O:1]-[C:2](-[C:3])=[O:10].[N:4]-[O:5]-[C:7](-[C:6])(-[C:8])-[C:9]	1	11658
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:6](-[C:5]):[c:7](-[C:8]):[c:10]:1-[C:9]>>[C:7](-[C:8])-[C:10](-[C:9])=[O:12].[c:1]:[c:2]:[c:3](:[c:4])-[N:6](-[C:5])-[N:11]	1	11669
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2]-[C:3](-[C:7])=[O:10].[c:4](:[c:5])(:[c:6])-[Mg:9]-[Br:8]	1	11674
+[C:1]-[N:2](-[C:3](-[C:4])-[C:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](-[C:4])(-[C:5])-[Br:7]	1	11676
+[C:1](=[O:2])(-[C:3](-[c:4])-[C:5](-[C:6])-[C:7])-[O:8]>>[C:5](-[C:6])(-[C:7])-[Br:9].[C:1](=[O:2])(-[C:3]-[c:4])-[O:8]	1	11680
+[c:1]:1:[n:2]:[n:3](-[C:4](-[C:5])-[C:6]):[c:7](:[c:8]):[c:9]:1>>[C:4](-[C:5])(-[C:6])-[Br:10].[c:1]:1:[n:2]:[n:3]:[c:7](:[c:8]):[c:9]:1	1	11684
+[c:1](-[O:2]-[C:3](-[C:4])-[C:5]):[c:6]:[o:7]>>[C:3](-[C:4])(-[C:5])-[Br:8].[c:1](-[O:2]):[c:6]:[o:7]	1	11686
+[c:1]:[c:2](-[C:3](=[N:4]-[N:5])-[C:6]):[c:7]>>[C:3](=[N:4]-[N:5])(-[C:6])-[Cl:17].[c:1]:[c:2](:[c:7])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16]	1	11700
+[c:1]-[C:2](-[C:3]-[C:4])-[C:5](=[O:6])-[O:7]>>[c:1]-[C:2](=[C:3]-[C:4])-[C:5](=[O:6])-[O:7]	1	11701
+[n:1]:[c:2](-[C:3](-[C:4]-[C:5])-[c:6]):[c:7]>>[n:1]:[c:2](-[C:3](=[C:4]-[C:5])-[c:6]):[c:7]	1	11702
+[c:1]-[C:2]-1=[N:3]-[N:4](-[c:5])-[C:6](-[C:7])-[C:8]-1-[C:9]>>[c:1]-[C:2](-[C:8](=[C:6]-[C:7])-[C:9])=[O:10].[N:3]-[N:4]-[c:5]	1	11703
+[c:1](:[c:2]-[C:3]-[C:4]):[o:5]>>[c:1](:[c:2]-[C:3](-[C:4])-[O:6]):[o:5]	1	11719
+[c:1](:[c:2]-[C:3](-[C:4])-[O:6]):[o:5]>>[c:1](:[c:2]-[C:3](-[C:4])=[O:6]):[o:5]	1	11720
+[N:1]-[C:2](=[O:3])-[C:4]>>[C:2](=[O:3])(-[C:4])-[O:7].[N:1](-[Si:9](-[C:8])(-[C:10])-[C:11])-[Si:12](-[C:5])(-[C:6])-[C:13]	1	11721
+[C:1]-[C:10]=[C:5](-[C:3](-[N:2])=[O:4])-[C:6](=[O:7])-[N:8]-[C:9]>>[C:1]-[C:10]=[C:5](-[C:3](-[N:2])=[O:4])-[C:6](=[O:7])-[O:13]-[C:12]-[C:11].[N:8]-[C:9]	1	11736
+[c:1]-[C:2]-1=[N:3]-[N:4](-[C:5]-[C:6])-[C:7](=[O:8])-[C:9](-[C:10](=[O:11])-[O:13])=[C:12]-1>>[C:5](-[C:6])-[O:18]-[S:15](-[C:14])(=[O:16])=[O:17].[c:1]-[c:2]:1:[n:3]:[n:4]:[c:7](-[O:8]):[c:9](-[C:10](=[O:11])-[O:13]):[c:12]:1	1	11739
+[C:1]-[C:2]-1=[C:3](-[Cl:4])-[C:5](=[O:6])-[N:7]-[N:8]-1>>[C:1]-[C:2]-1=[C:3]-[C:5](=[O:6])-[N:7]-[N:8]-1.[Cl:4]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	1	11747
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[c:6]:2:[n:7]:[c:8](-[N:9]):[n:10]:[c:11]:[c:12]:2>>[N:7]=[C:8](-[N:9])-[N:10].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[C:12]#[C:11])=[O:13]	1	11759
+[c:1]:[c:2](:[c:3]):[n:6]:[c:5](:[c:4])-[Cl:7]>>[c:1]:[c:2](:[c:3]):[n:6]:[c:5]:[c:4].[Cl:7]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:17](:[c:12]:1)-[C:14](=[O:13])-[O:15]-[O:16]	1	11766
+[c:1]:1:[n:2]:[n:3]:[c:5](:[c:4]):[c:6]:1-[c:7]:2:[c:8]:[c:9]:[n:10]:[c:11]:[c:12]:2>>[c:1]:1:[n:2]:[n:3]:[c:5](:[c:4]):[c:6]:1-[Br:13].[c:7]:1(:[c:8]:[c:9]:[n:10]:[c:11]:[c:12]:1)-[B:15](-[O:14])-[O:16]	1	11772
+[C:1]-[C:2]-1=[C:3]-[c:4](:[c:5](:[n:6])-[N:9](-[C:10])-[C:11]-1=[O:12]):[c:8]:[n:7]>>[C:3](-[c:4](:[c:5](:[n:6])-[N:9]-[C:10]):[c:8]:[n:7])=[O:16].[C:1]-[C:2]-[C:11](=[O:12])-[O:15]-[C:14]-[C:13]	1	11780
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:6])-[C:7]>>[C:5](-[C:6])(-[C:7])-[O:8].[C:1]-[C:2](=[O:3])-[O:4]	1	11785
+[C:1](-[C:2])(-[O:3]-[C:4](=[O:5])-[O:6])-[I:7]>>[C:1](-[C:2])(-[O:3]-[C:4](=[O:5])-[O:6])-[Cl:8].[I:7]	1	11794
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:7](-[C:8])-[O:9]-[C:10](=[O:11])-[O:12]>>[C:7](-[C:8])(-[O:9]-[C:10](=[O:11])-[O:12])-[I:13].[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1	1	11795
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[S:6]-[C:7]>>[S:6]-[C:7].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[Cl:8]	1	11818
+[c:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[c:6]):[c:7]:[s:8]:1>>[C:4](=[O:5])(-[c:6])-[O:9].[c:1]:1:[c:2]:[c:3]:[c:7]:[s:8]:1	1	11839
+[c:1]:[c:2]:1-[C:3](=[O:4])-[N:5]-[C:6](-[c:7])=[N:10]-[n:11]:1:[c:12].[c:8]-[N:9]>>[c:1]:[c:2]:1-[C:3](=[O:4])-[N:5]=[C:6](-[c:7])-[N:10]-[n:11]:1:[c:12].[c:8]-[N+:9](=[O:13])-[O-:14]	1	11849
+[c:1](-[C:2]-1=[N:3]-[n:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[N:10]-1):[c:11]:[c:12](-[N+:13](=[O:15])-[O-:16]):[c:14]>>[c:1](-[C:2]=1-[N:3]-[n:4](:[c:5]):[c:7](:[c:6])-[C:8](=[O:9])-[N:10]=1):[c:11]:[c:12]:[c:14].[N+:13](=[O:15])(-[O-:16])-[O:17]	1	11850
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:1:[c:6]:[o:7]:[n:8]:[c:9]:1>>[N:4]-[c:5]:1:[c:6]:[o:7]:[n:8]:[c:9]:1.[C:1]-[C:2](=[O:3])-[Cl:10]	1	11855
+[c:1]:[c:2](-[N:3]-[c:4](:[n:5]):[n:6]):[n:7]:[n:8]>>[N:3]-[c:4](:[n:5]):[n:6].[c:1]:[c:2](:[n:7]:[n:8])-[Cl:9]	1	11865
+[C:1]-[C:2](=[C:3])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:19].[C:3]-[P+:24](-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:23]:3:[c:17]:[c:18]:[c:20]:[c:21]:[c:22]:3	1	11874
+[C:1]-[C:2]-[C:3](-[C:4])=[O:5]>>[C:3](-[C:4])#[N:9].[C:1]-[C:2]-[Br:10].[O:5](-[C:6]-[C:11])-[C:7]-[C:8]	1	11890
+[c:1]-[N:2]-1-[C:3](=[S:4])-[N:5](-[c:6])-[C:7](=[O:8])-[C:9]-1>>[c:1]-[N:2]-[C:9]-[C:7]#[N:10].[C:3](=[S:4])=[N:5]-[c:6].[O:8]	1	11891
+[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[c:7]:2:[c:8]-1:[n:9]:[c:10](-[C:11]):[n:12]:2>>[N:1]-1-[C:2](=[S:3])-[N:4]-[C:5](=[O:6])-[C:7](=[C:8]-1-[N:9]-[C:10](-[C:11])=[O:13])-[N:12]	1	11931
+[N:1]#[C:2]-[c:3](:[n:4]):[s:5]>>[N:1]-[C:2](-[c:3](:[n:4]):[s:5])=[O:6]	1	11936
+[N:1]=[C:2](-[N:3]-[O:4])-[c:5](:[n:6]):[s:7]>>[N:1]#[C:2]-[c:5](:[n:6]):[s:7].[N:3]-[O:4]	1	11937
+[N:1]-[C:2](-[c:3](:[n:4]):[s:5])=[O:8]>>[C:2](-[c:3](:[n:4]):[s:5])(-[O:7]-[C:6]-[C:9])=[O:8].[N:1]	1	11938
+[c:1]:1:[c:2]:[n:3]:[c:4](-[O:5]-[C:6]):[n:7]:[c:8]:1>>[O:5]-[C:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[F:9]	1	11956
+[c:1]:[c:3](:[n:2]):[n:4]:[c:5]:[c:6]>>[c:1]:[c:3](:[n:2]):[n+:4](:[c:5]:[c:6])-[O-:7]	1	11967
+[C:1]-[C:2]-[O:3]-[C:4](-[O:5]-[C:6])-[c:7]>>[O:3]=[C:4]-[c:7].[C:1]-[C:2]-[O:12]-[C:11](-[O:5]-[C:6])-[O:10]-[C:9]-[C:8]	1	11971
+[c:1]:[c:3](:[n:2]):[n+:4](:[c:5]:[c:6])-[O-:7]>>[c:1]:[c:3](:[n:2]):[n:4]:[c:5]:[c:6].[O:7]-[O:15]-[C:14](=[O:13])-[c:16]:1:[c:12]:[c:10](:[c:9]:[c:8]:[c:17]:1)-[Cl:11]	1	11972
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[C:7](-[C:6])=[O:8]>>[C:4](-[C:5])-[C:7](-[C:6])=[O:8].[O:1]-[C:2](=[O:3])-[O:10]-[C:9]	1	11980
+[O:1]=[C:2](-[N:3]-[C:4])-[c:5](:[c:6]):[c:7]>>[N:3]-[C:4].[O:1]=[C:2](-[C:8])-[O:9].[c:5](:[c:6])(:[c:7])-[I:10]	1	11993
+[C:1]-[N:2]-1-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[c:9]:[c:10]-1>>[N:2]-1-[C:3](=[O:4])-[O:5]-[C:6](-[C:7])(-[C:8])-[c:9]:[c:10]-1.[C:1]-[I:11]	1	11994
+[c:1]-[O:2]-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:7](-[C:8](-[C:9])-[C:10](=[O:11])-[O:14])-[N:12]=[C:13]-1>>[C:8](-[C:9])(-[C:10](=[O:11])-[O:14]-[C:15])-[Br:16].[C:3]-1(=[C:4](-[C:5](=[O:6])-[N:7](-[N:12]=[C:13]-1)-[C:19]-2-[C:20]-[C:21]-[C:22]-[C:23]-[O:24]-2)-[Cl:18])-[Cl:17].[c:1]-[O:2]	1	11998
+[C:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7].[C:1]-[C:2]-[O:13]-[S:10](-[c:9]:1:[c:14]:[c:15]:[c:17](-[C:16]):[c:18]:[c:19]:1)(=[O:11])=[O:12]	1	12018
+[C:1]-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6](:[n:7]):[c:9]:1:[c:8]>>[C:1]-[C:2]-[O:18]-[S:15](-[c:14]:1:[c:13]:[c:12]:[c:11](-[C:10]):[c:20]:[c:19]:1)(=[O:16])=[O:17].[n:3]:1:[c:4]:[c:5]:[c:6](:[n:7]):[c:9]:1:[c:8]	1	12021
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6]:2:[c:7]:[c:8]:[c:9]:[s:10]:2):[c:11]:1>>[c:6]:1(:[c:7]:[c:8]:[c:9]:[s:10]:1)-[Br:12].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:11]:1)-[Sn:14](-[C:13])(-[C:15])-[C:16]	1	12023
+[c:1]-[O:2]-[c:3]:1:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1>>[c:3]:1(:[c:4](:[n:5]):[c:7](:[n:6]):[n:8]:[c:9]:[n:10]:1)-[Cl:11].[c:1]-[O:2]	1	12033
+[c:1]:1:[n:2]:[n:3]:[c:4](:[c:5]):[c:7]:1:[n:6]>>[c:1]:1:[n:2]:[n:3](:[c:4](:[c:5]):[c:7]:1:[n:6])-[C:11]-2-[C:10]-[C:9]-[C:8]-[C:13]-[O:12]-2	1	12034
+[C:1]-[C:2]-1=[C:3](-[O:4])-[C:5](=[O:6])-[N:7](-[C:8]-[C:9])-[C:10]=[C:11]-1>>[C:8](-[C:9])-[O:12].[C:1]-[c:2]:1:[c:3](-[O:4]):[c:5](-[O:6]):[n:7]:[c:10]:[c:11]:1	1	12039
+[C:1]-[N:2]-[c:3]:1:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[n:11]:1>>[c:3]:1(:[c:4]:2:[c:5]:[n:6]:[n:7](:[c:8]:2:[n:9]:[c:10]:[n:11]:1)-[C:13]-3-[C:14]-[C:15]-[C:16]-[C:17]-[O:18]-3)-[Cl:12].[C:1]-[N:2]	1	12040
+[O:1]=[C:2](-[O:3])-[c:4]:1:[n:5]:[c:6](-[C:7]):[n:8]:[c:9](-[O:10]):[c:11]:1-[O:12]>>[N:5]=[C:6](-[C:7])-[N:8].[O:1]=[C:2](-[O:3])-[C:4](=[C:11](-[C:9](-[O:10])=[O:13])-[O:12])-[O:14]	1	12052
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5]-[N:6]-[C:7](=[O:8])-[C:9]>>[N:5]-[N:6]-[C:7](=[O:8])-[C:9].[C:1]-[N:2]=[C:3]=[S:4]	1	12063
+[C:1](=[O:2])(-[c:3]:1:[n:4]:[c:5](-[C:6]):[n:7]:[c:8](-[O:9]):[c:10]:1-[O:11])-[O:12]>>[N:4]-[C:5](-[C:6])=[N:7].[C:1](=[O:2])(-[C:3](=[C:10](-[C:8](-[O:9])=[O:13])-[O:11])-[O:14])-[O:12]	1	12067
+[C:1]-1=[N:2]-[N:3](-[C:4](-[C:5])-[C:6])-[C:7](=[O:8])-[C:9]-1>>[C:1]-1=[N:2]-[N:3]-[C:7](=[O:8])-[C:9]-1.[C:4](-[C:5])(-[C:6])-[O:18]-[S:15](-[c:14]:1:[c:13]:[c:12]:[c:11](-[C:10]):[c:20]:[c:19]:1)(=[O:16])=[O:17]	1	12069
+[O:1]-[C:2](-[C:3]-[C:4](-[S:5]-[c:6])(-[C:7])-[C:8])=[O:9]>>[O:1]-[C:2](-[C:3]=[C:4](-[C:7])-[C:8])=[O:9].[S:5]-[c:6]	1	12073
+[O:1]=[C:2](-[c:3]:1:[c:4](-[C:5]):[o:6]:[n:7]:[c:8]:1-[C:9])-[O:10]>>[O:1]=[C:2](-[C:3](-[C:4](-[C:5])=[O:11])-[C:8](-[C:9])=[O:12])-[O:10].[O:6]-[N:7]	1	12074
+[O:1]=[C:2](-[c:3]:1:[c:4](-[C:5]):[o:6]:[n:7]:[c:8]:1-[c:9])-[O:10]>>[O:1]=[C:2](-[C:3]-[C:4](-[C:5])=[O:11])-[O:10].[O:6]-[N:7]=[C:8]-[c:9]	1	12079
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]):[n:7]:1-[C:8]-[C:9](=[O:10])-[O:11]>>[C:1]-[C:2](-[C:3]-[C:4]-[C:5](-[C:6])=[O:13])=[O:12].[N:7]-[C:8]-[C:9](=[O:10])-[O:11]	1	12080
+[N:1]-1-[C:2](=[O:3])-[N:4]=[C:5](-[N:6]-[c:7])-[C:13]=[C:14]-1.[c:8]-[N:9]-[C:10](=[O:11])-[C:12]>>[C:10](=[O:11])(-[C:12])-[Cl:15].[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[N:6]-[c:7])-[C:13]=[C:14]-1.[c:8]-[N:9]	1	12085
+[C:1]-[C:2](-[O:3])=[C:4](-[c:5]:1:[n:6]:[c:7](-[C:8]):[n:9]:[o:10]:1)-[N:11]>>[C:1]-[C:2](-[O:3])=[C:4](-[C:5](=[O:12])-[O:13])-[N:11].[N:6]=[C:7](-[C:8])-[N:9]-[O:10]	1	12095
+[C:1](=[O:2])(-[C:3](-[C:4])-[N:5]-1-[N:6]=[C:7]-[C:8]=[C:9]-[C:10]-1=[O:11])-[O:12]>>[C:1](=[O:2])(-[C:3](-[C:4])-[Br:13])-[O:12].[n:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:[c:10]:1-[O:11]	1	12123
+[n:1]:[n:2](-[C:3]-[c:4](:[c:5]):[c:6]):[c:7]:[c:8]>>[n:1]:[n:2](-[C:3]):[c:7]:[c:8].[c:4](:[c:5])(:[c:6])-[C:14]-[n:13]:1:[c:12]:[c:11]:[c:10](-[N:9]):[n:15]:1	1	12130
+[C:1]-[N:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[I:6].[C:1]-[N:2]	1	12162
+[N:1]-[C:5](=[C:3](-[C:2])-[N+:4])-[C:6]-[N:7]-[C:8]>>[N:7]-[C:8].[N:1]-[C:5](=[C:3](-[C:2])-[N+:4])-[C:6]-[Br:9]	1	12189
+[C:1]-[C:2](=[O:3])-[C:4](=[C:5]-[C:6])-[C:8](-[N:7])=[O:9]>>[C:1]=[C:2](-[O:3]-[C:11]-[C:10])-[C:4](=[C:5]-[C:6])-[C:8](-[N:7])=[O:9]	1	12198
+[N:1]-[C:2](=[N:3])-[c:4]>>[N:1]=[C:2](-[N:3]-[O:5])-[c:4]	1	12209
+[c:1]:[c:2](-[N:3]-[c:4](:[c:5]):[c:6]):[n:7]>>[c:1]:[c:2](-[N:3]-[C:11]-1-[C:10]-[C:9]-[C:8]-[C:12]-1):[n:7].[c:4](:[c:5])(:[c:6])-[N:13]	1	12217
+[n:1]:[n:2]:1:[c:3](:[n:4]:[c:5]:[c:6]:[c:7]:1:[c:8])-[S:10]-[C:9]>>[n:1]:[n:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:[c:7]:1:[c:8].[C:9]-[S:10]-[S:12]-[C:11]	1	12222
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:6]-[C:7]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[N:12]-[C:11]-1-[C:10]-[C:9]-[C:8]-[C:13]-1.[N:6]-[C:7]	1	12223
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]=[N:7]):[n:8]>>[C:4](=[O:5])(-[C:6]=[N:7])-[O:9].[c:1]:[c:2](-[N:3]):[n:8]	1	12227
+[c:1]-[O:2]-[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])-[O:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13].[c:1]-[O:2]	1	12228
+[C:1]-[N:2]-[C:3]=[C:4]-[C:5]>>[C:1]-[N:2](-[C:3]=[C:4]-[C:5])-[C:9](-[O:8]-[C:7]-[C:6])=[O:10]	1	12236
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6]=[O:7]):[c:8](:[c:9]):[c:11]:1:[c:10]>>[C:1]-[C:2]-1-[N:3]-[C:4]=[C:5](-[C:6]=[O:7])-[c:8](:[c:9]):[c:11]-1:[c:10]	1	12237
+[c:1]:[c:2](-[C:3](-[C:4])-[C:5]):[c:6]>>[C:3](-[C:4])(-[C:5])-[Zn+:8].[c:1]:[c:2](:[c:6])-[Br:7]	1	12240
+[O:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[c:7]:2:[c:8]:1:[n:9]:[n:10]:[c:11]:2>>[O:1]=[C:2](-[N:3])-[c:8]:1:[c:7](-[N:6]-[C:4](-[C:5])=[O:12]):[c:11]:[n:10]:[n:9]:1	1	12242
+[N:1]-[c:2]:1:[c:3]:[o:4]:[n:5]:[c:6]:1>>[N+:1](-[c:2]:1:[c:3]:[o:4]:[n:5]:[c:6]:1)(=[O:7])-[O-:8]	1	12244
+[o:1]:[c:2](:[c:3]):[c:5](:[c:4])-[c:6](:[n:7]:[c:8]:[c:9]):[c:10]>>[c:6](:[n:7]:[c:8]:[c:9])(:[c:10])-[Cl:20].[o:1]:[c:2](:[c:3]):[c:5](:[c:4])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	1	12254
+[c:1](-[C:2](=[N:3]-[c:4])-[N:7](-[C:5]=[O:6])-[c:8]):[c:9]:[n:10]>>[N:3]-[c:4].[C:5](=[O:6])-[N:7]-[c:8].[c:1](-[C:2]=[O:11]):[c:9]:[n:10]	1	12255
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[n:6]:[n:7]:[n:8]:2):[c:9](-[O:10]):[n:11]:1>>[C:1]-[C:2](-[N:3]-[c:4]:1:[c:5](:[n:6]:[n:7]:[n:8]:1)-[C:9](=[O:10])-[N:11])=[O:12]	1	12266
+[O:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[c:7]:2:[c:8]:1:[c:9]:[n:10]:[n:11]:2>>[O:1]=[C:2](-[N:3])-[c:8]:1:[c:7](-[N:6]):[n:11]:[n:10]:[c:9]:1.[C:4](-[C:5])(-[O:13]-[C:12])=[O:14]	1	12272
+[O:1]=[C:2](-[N:3]-[C:4]-[C:5](=[O:8])-[O:9])-[N:6]-[c:7]>>[O:1]=[C:2]=[N:3]-[C:4]-[C:5](=[O:8])-[O:9].[N:6]-[c:7]	1	12300
+[c:1]:1(:[c:2](-[C:3]):[c:5](-[C:4]):[n:6]:[c:7](:[c:8]):[c:10]:1:[c:9])-[Cl:11]>>[C:2](-[C:3])-[C:5](-[C:4])=[O:18].[C:1](-[c:10](:[c:7](-[N:6]):[c:8]):[c:9])(=[O:16])-[O:17].[Cl:11]-[P:13](=[O:12])(-[Cl:14])-[Cl:15]	1	12337
+[n:1]:1:[c:2]:[c:3](:[s:4]):[c:5](-[C:6](-[C:7])=[C:9]-[C:8]):[c:10]:1>>[C:6](-[C:7])(-[C:9]-[C:8])=[O:11].[n:1]:1:[c:2]:[c:3](:[s:4]):[c:5]:[c:10]:1	1	12341
+[c:1]:1:[c:2]:[n:3]:[c:4]:2:[n:5]:[c:6](-[C:7]):[c:8]:[c:9]:2:[n:10]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]):[c:9](-[C:8]#[C:6]-[C:7]):[n:10]:1	1	12348
+[C:1]-[c:2]:1:[c:3](-[C:4](-[C:5])=[O:11]):[o:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:3](-[C:4](-[C:5])=[O:11])-[Br:12].[C:1]-[C:2](-[c:8](:[c:7](-[O:6]):[c:10]):[c:9])=[O:13]	1	12349
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:7]:[c:8](-[c:9]:2:[c:10]:[n:11]:[n:12]:[c:13]:2):[s:14]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[C:6])=[O:15])-[Cl:16].[N:7]-[C:8](-[c:9]:1:[c:10]:[n:11]:[n:12]:[c:13]:1)=[S:14]	1	12354
+[C:1]-[O:2]-[C:5](-[O:4]-[C:3])(-[C:6])-[C:7]>>[C:1]-[O:2].[C:3]-[O:4].[C:5](-[C:6])(-[C:7])(-[O:10]-[C:9])-[O:11]-[C:8]	1	12360
+[C:1]-[O:2].[O:3]-[C:4](-[C:5])-[C:6]>>[C:1]-[O:2]-[C:4](-[O:3])(-[C:5])-[C:6]	1	12389
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[c:6].[c:7]-[N:8]=[C:9](-[C:10])-[N:11]-[S:12]>>[N:5]-[c:6].[c:7]-[N:8]-[C:9](-[C:10])=[N:11]-[S:12].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:13]	1	12390
+[C:1]-[C:2]-[N:3]-[C:4]-[C:5](=[O:6])-[N:7]>>[N:3]-[C:4]-[C:5](=[O:6])-[N:7].[C:1]-[C:2]=[O:8]	1	12403
+[N:1](-[C:2]-[C:3])(-[c:4])-[N:5]>>[C:2](-[C:3])-[Br:6].[N:1](-[c:4])-[N:5]	1	12406
+[C:1]-[C:2]-[C:3]-[C:4]>>[C:1]-[C:2]-[C:5]-[C:3]-[C:4]	1	12433
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[C:7](-[N:6])=[O:8]>>[C:4](-[C:5])-[C:7](-[N:6])=[O:8].[O:1]-[C:2](=[O:3])-[Cl:9]	1	12437
+[c:1](:[c:2]:[c:3]):[c:5](:[c:4])-[O:6]>>[c:1](:[c:2](:[c:3])-[O:6]-[C:7]):[c:5]:[c:4]	1	12446
+[C:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[c:6]:[c:7]:[n:8]):[n:9]:1>>[S:4]=[C:5](-[c:6]:[c:7]:[n:8])-[N:9].[C:1]-[C:2](-[C:3]-[Cl:11])=[O:10]	1	12449
+[c:1]:[c:2](-[B:3](-[O:4])-[O:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[B:3](-[O:4])(-[O:5])-[B:13]-1-[C:12]-[O:11]-[C:9](-[C:8])(-[C:10])-[O:15]-[C:14]-1	1	12491
+[N:1]-[C:2](=[O:3])-[C:4](=[C:5]-[N:6])-[C:7]=[O:8]>>[C:2](=[O:3])(-[C:4](=[C:5]-[N:6])-[C:7]=[O:8])-[O:11]-[C:10]-[C:9].[N:1]	1	12498
+[C:1]-[C:2](-[N:3])=[C:4]-[C:5](=[O:6])-[N:7]>>[C:1]-[C:2](-[C:4]-[C:5](=[O:6])-[N:7])=[O:8].[N:3]	1	12499
+[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1-[c:6]:2:[c:7]:[n:8]:[c:9]:[c:10]:[n:11]:2>>[c:6]:1(:[c:7]:[n:8]:[c:9]:[c:10]:[n:11]:1)-[Cl:12].[c:1]:1:[c:2]:[c:3]:[n:4]:[n:5]:1	1	12514
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[O:6]-[C:7]):[n:8]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:8]:1)-[O:9].[O:6]-[C:7]	1	12517
+[c:1]:[c:9]:1:[c:2]:[n:3]:[c:4]:[c:5](-[O:6]-[C:7]):[n:8]:1>>[O:6]-[C:7].[c:1]:[c:9]:1:[c:2]:[n:3]:[c:4]:[c:5](:[n:8]:1)-[Br:10]	1	12520
+[O:1]=[C:2]=[N:3]-[c:4](:[c:5]):[c:6]>>[O:1]=[C:2](-[c:4](:[c:5]):[c:6])-[O:10].[N:3](=[N+:12]=[N-:11])-[P:13](=[O:14])(-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)-[c:21]:2:[c:9]:[c:8]:[c:7]:[c:23]:[c:22]:2	1	12548
+[N:1](-[c:2](:[n:3]):[s:4])=[C:5]=[O:6]>>[N:1]-[c:2](:[n:3]):[s:4].[C:5](=[O:6])(-[O:9]-[C:8]-[C:7])-[C:10]	1	12565
+[C:1]=[C:2](-[C:3])-[C:4]>>[C:2](-[C:3])(-[C:4])=[O:23].[C:1]-[P+:8](-[c:7]:1:[c:6]:[c:5]:[c:24]:[c:22]:[c:21]:1)(-[c:9]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2)-[c:15]:3:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:3	1	12569
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[C:7]-[O:8]>>[C:6]-1-[C:7]-[O:8]-1.[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1	1	12570
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6](=[C:7]-[C:8])-[C:10]=[C:9]):[s:11]>>[C:4](=[O:5])(-[C:6](=[C:7]-[C:8])-[C:10]=[C:9])-[O:12].[n:1]:[c:2](-[N:3]):[s:11]	1	12575
+[C:1]-[C:2](-[O:3])=[C:4](-[C:5](-[N:6]-[C:7]-[C:8]=[O:11])=[O:9])-[N:10]>>[C:1]-[C:2](-[O:3])=[C:4](-[C:5](=[O:9])-[O:12])-[N:10].[N:6]-[C:7]-[C:8]=[O:11]	1	12590
+[O:1]=[C:2](-[N:3])-[C:4]-1=[C:5]-[N:6](-[C:7]-[C:8])-[c:9](:[c:10]):[c:12](:[c:11])-[C:13]-1=[O:14]>>[C:7](-[C:8])-[Cl:15].[O:1]=[C:2](-[N:3])-[c:4]:1:[c:5]:[n:6]:[c:9](:[c:10]):[c:12](:[c:11]):[c:13]:1-[O:14]	1	12602
+[O:1]=[C:2]-1-[C:3]=[C:4](-[c:5]:[c:7]:[n:6])-[C:8]=[C:9]-[N:10]-1-[C:11]-[C:12]>>[C:11](-[C:12])-[Cl:13].[O:1]-[c:2]:1:[c:3]:[c:4](-[c:5]:[c:7]:[n:6]):[c:8]:[c:9]:[n:10]:1	1	12605
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[o:7]:1>>[c:1]-[C:2](-[N:3]-[N:4]-[C:5](-[N:6])=[S:8])=[O:7]	1	12608
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:2:[n:11]:1-[C:12]>>[N:4]-[c:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:1-[N:11]-[C:12].[c:1]-[N:2]=[C:3]=[S:13]	1	12611
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8]):[c:10]>>[c:1]:[c:2](:[c:10])-[Br:11].[c:3]:1(:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8])-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24]	1	12625
+[C:1](=[O:2])-[C:3](-[C:4])-[C:5]-[N:6](-[C:7])-[C:8]>>[C:5]=[O:9].[N:6](-[C:7])-[C:8].[C:1](=[O:2])-[C:3]-[C:4]	1	12675
+[c:1]:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[s:7]>>[N:4](-[C:5])-[C:6].[c:1]:[c:2](-[C:3]-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11]):[s:7]	1	12683
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[I:9]	1	12684
+[O:1]=[C:2](-[N:3]-[c:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[O:1]=[C:2](-[O:11]-[C:8](-[Cl:9])(-[Cl:10])-[Cl:17])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16].[N:3]-[c:4]	1	12697
+[C:1]#[C:2]-[C:3]-[C:4]-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[C:1]#[C:2]-[C:3]-[C:4]-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11]	1	12714
+[N:1]-[C:2]=[C:3](-[C:4]-[N:5](-[C:6])-[C:7])-[C:8]=[O:9]>>[N:5](-[C:6])-[C:7].[N:1]-[C:2]=[C:3](-[C:4]=[O:10])-[C:8]=[O:9]	1	12762
+[c:1]:[c:2](-[C:3]-[C:4]):[c:5]>>[C:3](-[C:4])#[N:9].[c:1]:[c:2](:[c:5])-[C:8]-[Mg:7]-[Cl:6]	1	12810
+[O:1]=[C:2](-[N:3]-[c:4])-[c:5](:[n:6]):[s:7]>>[N:3]-[c:4].[O:1]=[C:2](-[c:5](:[n:6]):[s:7])-[O:8]	1	12850
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[c:6]>>[N:3](-[C:4])(-[C:5])-[c:14]:1:[c:13]:[c:12]:[c:11](-[S:8](-[C:7])(=[O:9])=[O:10]):[c:19]:[c:15]:1-[C:16](=[O:17])-[O:18].[c:1]:[c:2](:[c:6])-[Cl:20]	1	12867
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[c:5](:[c:6]:1):[c:7](:[c:8](:[n:9]):[n:12]:2):[c:11]:[n:10]>>[C:1]-1-[C:2]-[C:3]-[c:4]:2:[c:5](-[C:6]-1):[c:7](:[c:8](:[n:9]):[n:12]:2):[c:11]:[n:10]	1	12876
+[c:1]:[c:2](-[C:3]-1=[N:4]-[O:5]-[C:6](=[O:7])-[N:8]-1-[C:9](=[O:10])-[N:11]):[n:12]>>[C:9](=[O:10])(-[N:11])-[Cl:13].[c:1]:[c:2](-[C:3]=1-[N:4]-[O:5]-[C:6](=[O:7])-[N:8]=1):[n:12]	1	12901
+[C:1](-[C:2]-[C:3](-[C:4](-[C:5])=[O:8])-[C:6])=[O:7]>>[C:3](=[C:4](-[C:5])-[N:13]-1-[C:12]-[C:11]-[C:10]-[C:14]-1)-[C:6].[O:8].[C:1](-[C:2]-[Br:9])=[O:7]	1	12909
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:8]-[C:7]-[C:6].[C:1]-[O:2]	1	12919
+[n:1]:[c:2](:[c:3])-[N:5](-[c:4])-[C:6]-[C:7]>>[C:6](-[C:7])-[Cl:8].[n:1]:[c:2](:[c:3])-[N:5]-[c:4]	1	12921
+[S:1]-[C:2]-1-[N:3]=[C:4]-[O:5]-[C:6]-1-[C:7]>>[O:5]=[C:6]-[C:7].[S:1]-[C:2]-[N+:3]#[C-:4]	1	12934
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5]:[o:6]:1>>[C:1]-[C:2]=[O:6].[C:3](-[N+:4]#[C-:5])-[S:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[C:7]):[c:16]:[c:15]:1)(=[O:13])=[O:14]	1	12935
+[c:1]:1:[c:2](-[c:3]:2:[c:4]:[c:5](:[c:6](:[s:7]:2):[c:8]):[n:9]):[c:10]:[n:11]:[n:12]:1>>[c:3]:1(:[c:4]:[c:5](:[c:6](:[s:7]:1):[c:8]):[n:9])-[Br:13].[c:1]:1:[c:2](:[c:10]:[n:11]:[n:12]:1)-[B:14]-2-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19](-[C:20])(-[C:21])-[O:22]-2	1	12970
+[O:1]=[C:2]-1-[N:3]-[c:4]:2:[c:5]:[c:6](:[c:7](:[c:8]):[n:10]:[c:11]:2-[N:12]-1):[c:9]>>[O:1]=[C:2]-1-[N:3]-[C:4](=[C:5]-[c:6](:[c:7](:[c:8])-[N+:10](=[O:13])-[O-:14]):[c:9])-[C:11](-[N:12]-1)=[O:15]	1	12979
+[c:1]-[C:2](-[N:3])=[S:4]>>[c:1]-[C:2]#[N:3].[S:4]=[P:15]-1-2-[S:14]-[P:11]-3(-[S:10]-[P:8](-[S:7]-[P:6](=[S:5])(-[S:13]-3)-[S:16]-1)(=[S:9])-[S:17]-2)=[S:12]	1	12985
+[C:1]-[N:2]-[C:3](-[N:4](-[C:5])-[C:6])=[O:7]>>[N:4](-[C:5])-[C:6].[C:3](=[O:7])(-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[Cl:13].[C:1]-[N:2]	1	13014
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:2:[c:6]:1:[c:7]:[n:8]:[c:9]:2-[N:10]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[C:7]-[N:8]-[C:9](-[N:10])=[O:11]	1	13042
+[n:1]:[c:2](-[C:3]-[C:4]-[c:5](:[n:6]):[n:7]):[n:8]>>[n:1]:[c:2](-[C:3]=[C:4]-[c:5](:[n:6]):[n:7]):[n:8]	1	13058
+[c:1]:[c:10]:[n:9]:[c:3](:[c:2])-[N:4](-[C:5])-[C:7](-[C:6])=[O:8]>>[N:4](-[C:5])-[C:7](-[C:6])=[O:8].[c:1]:[c:10]:[n:9]:[c:3](:[c:2])-[Cl:11]	1	13067
+[O:1]=[C:2](-[C:3])-[N:5](-[C:4])-[C:6]-[c:7](:[n:8]):[n:9]>>[O:1]=[C:2](-[C:3])-[N:5]-[C:4].[C:6](-[c:7](:[n:8]):[n:9])-[Cl:10]	1	13078
+[O:1]=[P:2](-[c:3])(-[C:4]=[C:5])-[C:7]=[C:6]>>[C:4](=[C:5])-[Mg:9]-[Br:8].[C:6]-1-[C:7]-[O:12]-[C:10]-[C:11]-1.[O:1]=[P:2](-[c:3])(-[Cl:13])-[Cl:14]	1	13094
+[c:1]-1:[c:2]-[N:3]-[C:4](=[O:5])-[N:6]-1-[C:7]>>[C:4]-1-[O:5]-[C:10]-[C:8]-[C:9]-1.[c:1](:[c:2]-[N:3])-[N:6]-[C:7]	1	13100
+[C:1]-[C:2]-[C:3](-[C:4]-[C:5])(-[c:6])-[O:7]>>[C:4]-1-[O:12]-[C:11]-[C:10]-[C:13]-1.[C:1]-[C:2]-[Mg:9]-[Br:8].[C:3](-[c:6])(=[O:7])-[O:14]-[C:5]	1	13101
+[C:1]-[C:2](=[O:3])-[c:4](:[n:5]):[c:6]>>[O:3]-1-[C:11]-[C:10]-[C:9]-[C:12]-1.[C:2](-[c:4](:[n:5]):[c:6])#[N:13].[C:1]-[Mg:8]-[Br:7]	1	13105
+[O:1]-[C:2]-[C:3]-[c:4]>>[O:1]-1-[C:7]-[C:6]-[C:5]-[C:8]-1.[C:2]=[C:3]-[c:4]	1	13106
+[c:1]:[c:2](:[c:3])-[C:5]=[O:4]>>[O:4]-1-[C:5]-[C:7]-[C:6]-[C:8]-1.[c:1]:[c:2]:[c:3]	1	13108
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]>>[C:4]-1-[C:10]-[C:9]-[O:12]-[C:11]-1.[C:3]-[Mg:8]-[Br:7].[C:1]-[C:2](-[O:5])=[O:6]	1	13110
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]>>[C:4]-1-[C:9]-[C:8]-[O:11]-[C:10]-1.[C:3]-[Mg:7]-[Br:6].[C:1]-[C:2](=[O:5])-[O:14]-[C:13]-[C:12]	1	13111
+[C:1]=[C:2]-[c:3]>>[C:1]-1-[O:6]-[C:5]-[C:4]-[C:7]-1.[C:2](-[c:3])=[O:8]	1	13112
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[O:5]-1>>[C:4]-1-[O:8]-[C:7]-[C:6]-[C:9]-1.[C:1]-[C:2](-[C:3])=[O:5]	1	13113
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[C:6])-[C:7]>>[C:3]-1-[O:4]-[C:10]-[C:8]-[C:9]-1.[C:1]-[N:2]-[C:7].[N:5]-[C:6]	1	13114
+[C:1](-[c:2](:[n:3]):[c:4])=[O:5]>>[O:5]-1-[C:8]-[C:7]-[C:6]-[C:9]-1.[C:1](-[c:2](:[n:3]):[c:4])#[N:10]	1	13118
+[C:1](=[O:2])-[O:3]-[C:4]>>[C:4]-1-[O:7]-[C:6]-[C:5]-[C:8]-1.[C:1](=[O:2])-[O:3]	1	13119
+[c:1]:[c:2](-[C:3]-1(-[c:4])-[C:5]-[C:6]-1):[n:7]>>[C:6]-1-[O:10]-[C:9]-[C:8]-[C:11]-1.[c:1]:[c:2](-[C:3](-[c:4])=[C:5]):[n:7]	1	13120
+[C:1](-[c:2](:[c:3]):[c:5]:[n:4])=[O:6]>>[C:1]-1-[O:6]-[C:7]-[C:9]-[C:10]-1.[c:2](:[c:3])(:[c:5]:[n:4])-[Br:8]	1	13124
+[C:1]=[C:2](-[C:3])-[C:4]>>[C:1]-1-[O:7]-[C:6]-[C:5]-[C:8]-1.[C:2](-[C:3])(-[C:4])=[O:9]	1	13127
+[c:1]-[N:2](-[C:3]=[C:4])-[C:6](-[c:5])=[O:7]>>[C:3](=[C:4])-[O:8]-[C:6](-[c:5])=[O:7].[c:1]-[N:2]	1	13131
+[C:1](=[C:2])-[C:5]-[N:4]-[C:3]>>[C:1](=[C:2])-[C:5]-[N:4](-[C:3])-[C:9](-[O:8]-[C:7]-[C:6])=[O:10]	1	13147
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:6]-[C:7](-[N:8])=[O:9]>>[C:1]-[N:2]-[C:6]-[C:7](-[N:8])=[O:9].[C:3](-[O:4])(-[C:5])=[O:10]	1	13150
+[c:1]:[c:2](-[C:3]-[c:4]):[n:5]:[n:6]>>[c:1]:[c:2](:[n:5]:[n:6])-[Cl:7].[C:3](-[c:4])-[Zn+:8]	1	13152
+[c:1]-[C:2]-1=[N:3]-[C:4]-[C:5]-[O:6]-1>>[c:1]-[C:2](-[N:3]-[C:4]-[C:5]-[O:7])=[O:6]	1	13174
+[N:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[s:7]>>[C:3](=[O:4])(-[c:5](:[n:6]):[s:7])-[O:10]-[C:9]-[C:8].[N:1]-[N:2]	1	13180
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]-[C:6]>>[N:3]-[C:4].[C:1]-[C:2]-[Cl:7].[C:5](-[C:6])-[Cl:8]	1	13199
+[c:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[C:3](=[O:4])-[N:10]-1-[C:9]-[C:8]-[C:7]-[C:12]-[C:11]-1.[c:1]:[c:2](:[c:5])-[Br:6]	1	13216
+[C:1](-[c:2](:[c:3]):[c:4])=[O:5]>>[C:1](=[O:5])-[N:6]-1-[C:7]-[C:8]-[C:9]-[C:10]-[C:11]-1.[c:2](:[c:3]):[c:4]	1	13217
+[n:1]:[c:2]:1:[c:3](:[n:4]:[c:5]:[c:6]:1):[c:7]:[n:8]>>[n:1]:[c:2]:1:[c:3](:[n:4](:[c:5]:[c:6]:1)-[C:15]-[O:14]-[C:13]-[c:12]:2:[c:11]:[c:10]:[c:9]:[c:17]:[c:16]:2):[c:7]:[n:8]	1	13228
+[c:1]-[C:2]-1-[N:3]=[C:4]-[N:5]-[C:6](-[C:7])=[C:8]-1-[C:9](=[O:10])-[O:11]>>[C:6](-[C:7])(-[C:8]-[C:9](=[O:10])-[O:11])=[O:12].[N:3]=[C:4]-[N:5].[c:1]-[C:2]=[O:13]	1	13247
+[O:1]=[C:2](-[O:3])-[C:4]-1=[C:5](-[C:6])-[N:7]=[C:8](-[c:9])-[N:10]-[C:11]-1-[c:12]>>[O:1]=[C:2](-[O:3])-[C:4]-[C:5](-[C:6])=[O:13].[C:11](-[c:12])=[O:14].[N:7]-[C:8](-[c:9])=[N:10]	1	13248
+[O:1]=[C:2](-[O:3])-[C:4](-[c:5](:[c:6]):[c:7])-[N:9](-[C:8])-[S:10]>>[c:5](:[c:6]):[c:7].[C:8]-[N:9]-[S:10].[O:1]=[C:2](-[O:3])-[C:4]=[O:11]	1	13253
+[O:1]=[C:2](-[C:3]-[S:4]-[C:5]-[C:6])-[O:7]>>[C:5](-[C:6])-[Cl:8].[O:1]=[C:2](-[C:3]-[S:4])-[O:7]	1	13261
+[c:1](:[c:2](-[C:3](=[O:4])-[N:5]-[N:6]):[n:7]):[n:8]>>[N:5]-[N:6].[c:1](:[c:2](-[C:3](=[O:4])-[Cl:9]):[n:7]):[n:8]	1	13266
+[C:1]-[C:4](=[C:3]-[C:2])-[O:5]-[C:6](=[O:7])-[C:8]>>[C:1]-[C:4](=[C:3]-[C:2])-[O:5].[C:6](=[O:7])(-[C:8])-[Cl:9]	1	13301
+[C:1]-[N:2](-[C:3]-[C:4]-[O:5])-[C:6](=[O:7])-[C:8]>>[C:3]-1-[C:4]-[O:5]-1.[C:1]-[N:2]-[C:6](=[O:7])-[C:8]	1	13304
+[c:1]:[c:3](:[c:2])-[C:4]=[C:5]-[S:6]>>[C:4]=[C:5]-[S:6].[c:1]:[c:3](:[c:2])-[Br:7]	1	13316
+[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](:[c:6](:[c:7]):[n:9]:1-[C:10]-[C:11](=[O:12])-[O:13]):[c:8]>>[C:1]-[C:2](-[C:3]-[C:4])=[O:16].[C:10](-[C:11](=[O:12])-[O:13])-[Br:14].[c:5](:[c:6](:[c:7])-[N:9]-[N:15]):[c:8]	1	13332
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6]-[C:7]-[C:8](=[O:9])-[O:14]):[c:10](:[c:11]:1-[C:12])-[C:13]>>[C:10](-[C:11]-[C:12])(-[C:13])=[O:17].[C:6](-[C:7]-[C:8](=[O:9])-[O:14])-[Br:15].[c:1]:[c:2]:[c:3](:[c:4])-[N:5]-[N:16]	1	13333
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6]-[C:7]#[N:8]):[c:9](:[c:10]:1-[C:11])-[C:12]>>[C:9](-[C:10]-[C:11])(-[C:12])=[O:15].[C:6](-[C:7]#[N:8])-[Br:13].[c:1]:[c:2]:[c:3](:[c:4])-[N:5]-[N:14]	1	13336
+[n:1]:1:[c:2](:[c:3](:[c:4]):[c:6](:[c:7]:1-[C:8])-[C:9]):[c:5]>>[C:6](-[C:7](-[C:8])=[O:11])-[C:9].[N:1](-[c:3](:[c:2]:[c:5]):[c:4])-[N:10]	1	13342
+[C:1]-[C:2]=[C:3](-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:1)-[C:9]>>[C:1]-[C:2]-[C:3](-[C:9])=[O:11].[c:4]:1(:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Br:10]	1	13347
+[c:1](:[n:2]):[c:4](:[n:3])-[O:5]-[C:6]>>[c:1](:[n:2]):[c:4](:[n:3])-[Cl:7].[O:5]-[C:6]	1	13374
+[N:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[N:1]-[C:2](-[N:3]-[O:9])=[N:7].[O:4]-[C:5](-[C:6])=[O:8]	1	13401
+[C:1]-[C:2](=[O:3])-[O:5]-[C:4]>>[C:1]-[C:2](=[O:3])-[O:5].[C:4](-[Si:7](-[C:6])(-[C:8])-[C:9])=[N+:10]=[N-:11]	1	13411
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:4](-[C:3])-[C:5]	1	13415
+[n:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6](-[C:7]):[o:8]:1):[c:9]>>[C:6](-[C:7])(=[O:10])-[O:11].[n:1]:[c:2](-[C:3](-[N:4]-[N:5])=[O:8]):[c:9]	1	13433
+[N:1]-1-[C:2](=[O:3])-[C:4]-[N:5]=[C:6]-1-[N:7]>>[N:1]-1-[C:2](=[O:3])-[C:4]-[N:5]-[C:6]-1=[S:8].[N:7]	1	13444
+[N:1]-1-[C:2](=[O:3])-[C:4]-[N:5]-[C:6]-1=[S:7]>>[N:1]-1-[C:2](=[O:3])-[C:4]-[N:5]-[C:6]-1=[O:28].[S:7]=[P:16]-1(-[S:15]-[P:13](-[c:12]:2:[c:11]:[c:10]:[c:9](-[O:8]-[C:29]):[c:27]:[c:26]:2)(=[S:14])-[S:25]-1)-[c:17]:3:[c:18]:[c:19]:[c:20](-[O:21]-[C:22]):[c:23]:[c:24]:3	1	13445
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[c:6](:[c:7]):[c:8]>>[c:6](:[c:7])(:[c:8])-[Br:9].[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[I:10]	1	13455
+[c:1]:[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6](:[c:7]:1:[c:8])-[O:9]>>[c:1]:[c:2](-[N:3]):[c:7](-[C:6](=[O:9])-[O:12]-[C:11]-[C:10]):[c:8].[C:4](-[N:5])=[N:13]	1	13485
+[C:1](-[n:2]:1:[c:3]:[c:4](-[c:5]):[n:6]:[n:7]:1)-[Si:9](-[C:8])(-[C:10])-[C:11]>>[C:3]#[C:4]-[c:5].[C:1](-[N:2]=[N+:7]=[N-:6])-[Si:9](-[C:8])(-[C:10])-[C:11]	1	13498
+[c:1]-1:[c:2](:[c:3])-[C:4]-[C:5](=[O:6])-[N:7]-1>>[c:1](:[c:2]:[c:3])-[N:7]-[C:5](-[C:4]-[Cl:8])=[O:6]	1	13503
+[c:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]>>[N:5]-[C:6].[c:1]:[c:2](-[C:3](=[O:4])-[O:15]-[c:14]:1:[c:12](:[c:10](:[c:9](-[F:8]):[c:18](:[c:16]:1-[F:17])-[F:19])-[F:11])-[F:13]):[n:7]	1	13519
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[c:6])-[C:7]=[O:8]>>[N:1]-[C:2](=[O:3])-[N:4]-[C:7]=[O:8].[C:5](-[c:6])-[Br:9]	1	13522
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[c:6](-[N:7]):[n:8]:[c:9]:[c:10]:1):[n:11]>>[N:5]=[C:6](-[N:7])-[N:8].[n:1]:[c:2]:[c:3](-[C:4](-[C:10]=[C:9]-[N:13](-[C:12])-[C:14])=[O:15]):[n:11]	1	13531
+[C:1]-[S:2](=[O:3])(=[O:4])-[O:5]-[c:6]>>[O:5]-[c:6].[C:1]-[S:2](=[O:3])(=[O:4])-[O:11]-[S:8](-[C:7])(=[O:9])=[O:10]	1	13534
+[C:1]-[N:2](-[C:3])-[c:4]:1:[n:5]:[c:6]:[c:7](:[s:8]:1):[c:9]>>[c:4]:1(:[n:5]:[c:6]:[c:7](:[s:8]:1):[c:9])-[S:11](-[C:10])(=[O:12])=[O:13].[C:1]-[N:2]-[C:3]	1	13537
+[c:1]-[C:2]-1=[C:3]-[C:4]=[C:5]-[N:6](-[C:7](-[C:8])-[C:9])-[C:10]-1=[O:11]>>[C:7](-[C:8])(-[C:9])-[O:12].[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:10]:1-[O:11]	1	13568
+[n:1]:[c:2]:[c:3](-[C:4]-1-[C:5]-[C:6]-1):[c:7]>>[n:1]:[c:2]:[c:3](:[c:7])-[Cl:8].[C:4]-1(-[C:5]-[C:6]-1)-[B:10](-[O:9])-[O:11]	1	13589
+[N:1]-[C:2]=1-[N:3](-[O-:4])-[C:5]=2-[C:6](=[C:7]-[C:8](-[C:9])=[C:11](-[C:10])-[C:12]=2)-[N+:13](=[O:14])-[N:15]=1>>[N:1]-[c:2]:1:[n:3]:[c:5]:2:[c:6](:[c:7]:[c:8](-[C:9]):[c:11](-[C:10]):[c:12]:2):[n+:13](-[O-:14]):[n:15]:1.[O:4]-[C:16]	1	13591
+[S:1]-[N:2]-[c:3]:1:[n:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8]>>[c:3]:1(:[n:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[Br:11].[S:1]-[N:2]	1	13601
+[n:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[n:6]:[n:7]:1):[s:8]>>[n:1]:[c:2](-[C:3]#[N:7]):[s:8].[N-:4]=[N+:6]=[N-:5]	1	13602
+[C:1]-[N:2]-1-[C:3]=[N:4]-[c:5]:[c:6](:[s:7])-[C:8]-1=[O:9]>>[C:1]-[N:2].[C:3](=[N:4]-[c:5]:[c:6](:[s:7])-[C:8](=[O:9])-[O:11]-[C:10])-[N:12](-[C:13])-[C:14]	1	13611
+[N:1]-[C:2]>>[N:1](-[C:2])=[C:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1	1	13629
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[O:7]-[c:8]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[F:9].[O:7]-[c:8]	1	13644
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[o:7]:1)-[C:8]>>[C:1]-[N:2]-[C:8].[c:3]:1(:[n:4]:[c:5]:[c:6]:[o:7]:1)-[Cl:9]	1	13660
+[C:1]-[N:2](-[C:3]-[C:4])-[C:6]-[C:5]>>[C:3](-[C:4])-[N:9]-[C:6]-[C:5].[C:1]-[N:2](-[C:7])-[C:8]	1	13664
+[c:1]:1:[n:2]:[c:3](-[N:4](-[C:5])-[C:6]):[c:7]:[c:8](-[N:9]-[N:10]):[n:11]:1>>[N:4](-[C:5])-[C:6].[c:1]:1:[n:2]:[c:3](:[c:7]:[c:8](:[n:11]:1)-[Cl:13])-[Cl:12].[N:9]-[N:10]	1	13676
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[N:7](-[C:8])-[C:9]):[n:10]:2:[n:11]:[c:12](-[C:13]):[n:14]:[c:15]:1:2>>[N:7](-[C:8])-[C:9].[N:10]-[N:11]-[C:12](-[C:13])=[O:19].[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[C:15]#[N:14].[C:6](-[N:17]-[N:16])=[O:18]	1	13687
+[c:1]:1:[c:2]:[c:3](-[N:4](-[C:5])-[C:6]):[c:7]:[c:8]:[n:9]:1>>[N:4](-[C:5])-[C:6].[c:1]:1:[c:2]:[c:3](:[c:7]:[c:8]:[n:9]:1)-[F:10]	1	13701
+[n:1]:[c:2]:[c:3]:[c:4](-[N:5](-[C:6])-[C:7]):[c:8]:[n:9]>>[N:5](-[C:6])-[C:7].[n:1]:[c:2]:[c:3]:[c:4](:[c:8]:[n:9])-[I:10]	1	13704
+[n:1]:[c:2]:[c:8]:[c:4](:[c:3])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[n:1]:[c:2]:[c:8]:[c:4](:[c:3])-[I:9]	1	13710
+[C:1]-[N:2](-[C:3](=[N:4]-[c:5])-[c:7]:[c:6]:[s:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3](-[c:7]:[c:6]:[s:8])(-[O:12]-[C:11]-[C:10])=[O:13].[N:4]-[c:5]	1	13715
+[c:1](:[c:2]:[s:9])-[C:5](=[N:4]-[c:3])-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[c:1](:[c:2]:[s:9])-[C:5](-[N:4]-[c:3])=[O:10]	1	13720
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]):[n:6](:[c:7]:[c:11]):[c:9](:[c:8]):[c:10]>>[N:3](-[C:4])-[C:5].[c:1]:[c:2](:[n:6](:[c:7]:[c:11]):[c:9](:[c:8]):[c:10])-[Cl:12]	1	13745
+[C:1]-[N:2](-[C:3](=[N:4])-[c:7]:[c:6]:[s:5])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](=[N:4])(-[c:7]:[c:6]:[s:5])-[S:10]-[C:9]	1	13758
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7]>>[C:1]-[N:2]-[C:7].[N:5]-[c:6].[C:3](=[O:4])(-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:18]:[c:17]:1)-[Cl:16]	1	13766
+[N:1]-[c:2]:1:[n:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[F:8]):[c:9]:[s:10]:1>>[N:1]-[C:2](-[N:3])=[S:10].[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])(-[C:9]-[Br:12])=[O:11]	1	13772
+[O:1]-[C:2]>>[O:1]-[C:2]-[C:3]	1	13776
+[c:1]-[C:7]=[C:3](-[c:2])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[c:1]-[C:7]-[C:3](-[c:2])=[O:8]	1	13781
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5]:[c:8](:[n:6]):[n:7])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3](-[O:4])(-[c:5]:[c:8](:[n:6]):[n:7])=[O:10]	1	13791
+[C:1]-[N:2](-[C:3]-[C:4]-[C:6](-[N:5])=[O:7])-[C:8]>>[C:1]-[N:2]-[C:8].[C:3](-[C:4]-[C:6](-[N:5])=[O:7])-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12]	1	13822
+[C:1]-[N:2](-[C:3](=[O:4])-[Cl:6])-[C:5]>>[C:1]-[N:2]-[C:5].[Cl:6]-[C:11]-[Cl:10].[C:3](=[O:4])(-[O:16]-[C:13](-[Cl:12])(-[Cl:14])-[Cl:15])-[O:17]-[C:18](-[Cl:7])(-[Cl:8])-[Cl:9]	1	13825
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3](=[O:4])(-[N:5])-[N:15]-1-[C:14]-[C:13]-[N:12](-[c:11]:2:[c:10]:[c:9]:[c:8](-[F:7]):[c:19]:[c:18]:2)-[C:17]-[C:16]-1	1	13865
+[n:1]:[c:2]:[c:11]:[c:4](:[c:3])-[c:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1>>[n:1]:[c:2]:[c:11]:[c:4](:[c:3])-[Br:12].[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21]	1	13894
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:2:[n:6]:[n:7]:[n:8]:[c:9]:1:2>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:[c:9]:1-[N:8]-[N:7].[N:6](=[O:10])-[O:11]	1	13895
+[c:1]:1:[c:2]:[c:3](-[c:4]:2:[c:5](:[n:6]):[c:7]:[c:8]:[c:9]:[n:10]:2):[n:11]:[n:12]:1>>[c:4]:1(:[c:5](:[n:6]):[c:7]:[c:8]:[c:9]:[n:10]:1)-[Br:13].[c:1]:1:[c:2]:[c:3](:[n:11]:[n:12]:1)-[Sn:18](-[C:17]-[C:16]-[C:15]-[C:14])(-[C:19]-[C:20]-[C:21]-[C:22])-[C:23]-[C:24]-[C:25]-[C:26]	1	13914
+[c:1]:1:[n:2]:[n:3](-[c:4]:2:[c:5](:[n:6]):[c:7]:[c:8]:[c:9]:[n:10]:2):[c:11]:[c:12]:1>>[c:4]:1(:[c:5](:[n:6]):[c:7]:[c:8]:[c:9]:[n:10]:1)-[Br:13].[c:1]:1:[n:2]:[n:3]:[c:11]:[c:12]:1	1	13915
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5](-[C:6](=[O:7])-[O:8])-[c:9]>>[N:1]-[C:2](=[O:3])-[C:4]-[Cl:10].[N:5](-[C:6](=[O:7])-[O:8])-[c:9]	1	13921
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[N:6])-[c:7]:2:[c:8]:[c:9]:[c:10]:[n:11]:[c:12]:2-[N:13](-[C:14]-[c:15])-[C:16]-1=[O:17]>>[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[N:6]):[c:7]:2:[c:8]:[c:9]:[c:10]:[n:11]:[c:12]:2:[n:13]:[c:16]:1-[O:17].[C:14](-[c:15])-[Br:18]	1	13942
+[C:1]=[C:2]-[C:3]-[C:4]-[N:5]>>[C:1]=[C:2]-[C:3]-[C:4](-[N:5])=[O:6]	1	13948
+[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5](-[c:6](:[c:7]):[c:9]:[n:8]):[n:10]:[c:11]:1>>[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5](:[n:10]:[c:11]:1)-[Cl:12].[c:6](:[c:7])(:[c:9]:[n:8])-[B:14](-[O:13])-[O:15]	1	13949
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[c:7]>>[n:1]:[c:2](-[N:3]):[c:7].[C:4](=[O:5])(-[C:6])-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11]	1	13962
+[c:1]:[c:7]:[n:6]:[c:3](:[c:2])-[C:4]-[C:5]>>[c:1]:[c:7]:[n:6]:[c:3](:[c:2])-[Br:10].[C:4](-[C:5])-[Zn:9]-[Br:8]	1	13981
+[O:1]=[C:2](-[C:3]-[C:4](=[O:5])-[N:6])-[N:7]-[c:8]:[c:10]:[n:9]>>[O:1]=[C:2](-[C:3]-[C:4](=[O:5])-[N:6])-[O:11].[N:7]-[c:8]:[c:10]:[n:9]	1	13991
+[N:1]#[C:2]-[C:3]-1=[C:4](-[N:5])-[c:6](:[c:7]):[c:9](:[c:8])-[N:10](-[c:11](:[c:12]):[c:13])-[C:14]-1=[O:15]>>[N:1]#[C:2]-[c:3]:1:[c:4](-[N:5]):[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:[c:14]:1-[O:15].[c:11](:[c:12])(:[c:13])-[B:17](-[O:16])-[O:18]	1	13995
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[N:6]-[C:7]):[n:8]:1>>[N:6]-[C:7].[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:8]:1)-[N:9]	1	14006
+[N:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6]:1:[c:7](-[C:8]):[c:9](:[c:10](-[C:11]):[n:13]:1)-[C:12])-[c:14]>>[C:5](-[c:6]:1:[c:7](-[C:8]):[c:10](:[c:9](-[C:12]):[n:13]:1)-[C:11])=[O:15].[N:1]-[C:2](=[O:3])-[C:4]-[c:14]	1	14012
+[C:1]-[N:2]-1-[C:3]-[c:4]:[c:5](:[n:6])-[N:7]-[C:8]-1=[O:9]>>[C:1]-[N:2]-[C:3]-[c:4]:[c:5](:[n:6])-[N:7].[C:8](=[O:9])(-[n:13]:1:[c:12]:[c:11]:[n:10]:[c:19]:1)-[n:14]:2:[c:15]:[c:16]:[n:17]:[c:18]:2	1	14015
+[c:1]:[c:2]:1-[C:3](-[C:4])=[C:5]-[C:6](=[O:7])-[N:8](-[C:9]-2-[C:10]-[C:11]-2)-[c:12]:1:[c:13]>>[c:1]:[c:2]:1:[c:3](-[C:4]):[c:5]:[c:6](-[O:7]):[n:8]:[c:12]:1:[c:13].[C:9]-1(-[C:10]-[C:11]-1)-[B:15](-[O:14])-[O:16]	1	14020
+[n:1]:[c:2]:[c:3](-[Br:4]):[c:5]>>[Br:4]-[c:10]:1:[c:9]:[c:8](-[O:7]-[C:6]):[c:13](:[n:12]:[c:11]:1)-[N:14]-2-[C:15]-[C:16]-[N:17](-[C:18])-[C:19]-[C:20]-2.[n:1]:[c:2]:[c:3]:[c:5]	1	14023
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[c:1]-[N+:2](=[O:8])-[O-:9].[C:3](=[O:4])(-[c:5](:[c:6]):[o:7])-[O:10]	1	14032
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:[n:10]:1:2>>[N:3]-[N:4]-[c:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:[n:10]:1.[C:1]-[C:2](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19]	1	14056
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:8]:[c:7]:[n:6]):[c:9](:[c:10]:[n:11]):[n:12]:1>>[c:1]:1:[n:2]:[c:3](:[c:9](:[c:10]:[n:11]):[n:12]:1)-[I:22].[c:4](:[c:5])(:[c:8]:[c:7]:[n:6])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21]	1	14061
+[c:1]-[C:5]-[C:3](-[c:2])-[N:4]>>[c:1]-[C:5]=[C:3](-[c:2])-[N:4]	1	14072
+[c:1](:[c:2]-[C:3]-1-[N:4]-[C:5](=[O:6])-[c:7]:2:[n:8]:[n:9]:[c:10]:[c:11]:2-[N:12]-1):[n:13]>>[c:1](:[c:2]-[C:3]=[O:14]):[n:13].[N:4]-[C:5](=[O:6])-[c:7]:1:[n:8]:[n:9]:[c:10]:[c:11]:1-[N:12]	1	14089
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]>>[C:1](-[C:2]-[C:3](=[O:4])-[N:5])-[Cl:6]	1	14133
+[O:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6]-[N:7])-[C:8]=[O:9]>>[C:3](=[O:4])(-[C:5](=[C:6]-[N:7])-[C:8]=[O:9])-[O:12]-[C:11]-[C:10].[O:1]-[N:2]	1	14137
+[O:1]=[C:2]-1-[C:3]-[C:4]-[C:5]-[N:6]-1-[C:7]>>[O:1]=[C:2](-[C:3]-[C:4]-[C:5]-[Cl:8])-[N:6]-[C:7]	1	14152
+[N:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1>>[N:1]-[C:2](-[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10])=[S:11]	1	14158
+[c:1]:[c:2](-[N:3](-[C:4])-[S:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[N:3](-[C:4])-[S:5]	1	14174
+[c:1]:1:[c:2]:[c:3](-[C:4]#[C:5]-[C:6]):[n:7]:[c:8]:[n:9]:1>>[C:4]#[C:5]-[C:6].[c:1]:1:[c:2]:[c:3](:[n:7]:[c:8]:[n:9]:1)-[Cl:10]	1	14180
+[N:1]-[C:2]-1=[N:3]-[C:4]=[C:5]-[N:6](-[C:7]-[C:8])-[C:9]-1=[O:10]>>[N:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[n:6]:[c:9]:1-[O:10].[C:7](-[C:8])-[O:15]-[S:12](-[C:11])(=[O:13])=[O:14]	1	14185
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[O:7]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[Cl:8].[O:7]	1	14199
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[Br:8].[N:3]-[C:4](=[O:5])-[C:6]	1	14207
+[N:1]-[C:2](=[O:3])-[C:4]-1-[C:5]-[N:6](-[S:7])-[C:8](=[O:9])-[N:10]-1-[C:11]>>[N:1]-[C:2](=[O:3])-[C:4]-1-[C:5]-[N:6]-1-[S:7].[C:8](=[O:9])=[N:10]-[C:11]	1	14215
+[s:1]:[c:2](-[C:3](=[O:4])-[N:5]-[C:6]):[n:7]>>[s:1]:[c:2](-[C:3](=[O:4])-[O:8]):[n:7].[N:5]-[C:6]	1	14217
+[c:1]-[N:2]-[c:3]:1:[n:4]:[n:5]:[c:7](:[c:6]):[n:8]:1>>[c:1]-[N:2].[c:3]:1(:[n:4]:[n:5]:[c:7](:[c:6]):[n:8]:1)-[Cl:9]	1	14222
+[c:1]:[c:2](-[N:3](-[C:4])-[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[Br:7].[N:3](-[C:4])-[c:5]	1	14258
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[C:3](-[c:5])#[N:6].[C:1]-[O:2].[O:4]-[S:8](=[O:7])(=[O:9])-[O:10]	1	14259
+[n:1]:[c:2]:[c:3](-[C:4]-[C:5]-[c:6]):[c:7]:[n:8]>>[n:1]:[c:2]:[c:3](-[C:4]=[C:5]-[c:6]):[c:7]:[n:8]	1	14264
+[c:1]-[N:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[N:2].[c:3](:[c:4])(:[c:5])-[B:7](-[O:6])-[O:8]	1	14276
+[n:1]:1:[c:2]:[c:3](-[S:4](=[O:5])(=[O:6])-[N:7](-[C:8])-[C:9]):[c:10]:[n:11]:1>>[N:7](-[C:8])-[C:9].[n:1]:1:[c:2]:[c:3](-[S:4](=[O:5])(=[O:6])-[Cl:12]):[c:10]:[n:11]:1	1	14289
+[n:1]:[c:2]:[c:3]:[c:4](-[N+:5](=[O:7])-[O-:8]):[c:6]>>[n:1]:[c:2]:[c:3]:[c:4]:[c:6].[N+:5](-[O:7])(-[O-:8])=[O:9]	1	14293
+[n:1]:[c:2]:1:[c:3](-[c:4](:[c:5]):[c:7]:[n:6]):[c:8]:[n:9]:[n:10]:1>>[n:1]:[c:2]:1:[c:3](:[c:8]:[n:9]:[n:10]:1)-[Br:11].[c:4](:[c:5])(:[c:7]:[n:6])-[B:13](-[O:12])-[O:14]	1	14299
+[O:1]=[C:2](-[N:3]-[O:4])-[c:5](:[c:6]:[n:7]):[s:8]>>[O:1]=[C:2](-[c:5](:[c:6]:[n:7]):[s:8])-[O:10]-[C:9].[N:3]-[O:4]	1	14310
+[c:1]-[N:2]-1-[C:3]-[C:4]-[c:5]:2:[c:6]-1:[n:7]:[c:8]:[n:9]:[c:10]:2>>[C:3](-[C:4]-[c:5]:1:[c:6](:[n:7]:[c:8]:[n:9]:[c:10]:1)-[Cl:11])-[Cl:12].[c:1]-[N:2]	1	14311
+[c:1]:[c:2](-[C:3](=[C:4]-[N:5])-[N:6]):[c:7]>>[C:3](=[C:4]-[N:5])(-[N:6])-[Br:8].[c:1]:[c:2](:[c:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17]	1	14336
+[c:1]:1:[c:2]:[n:3]:[n:4]:[n:5]:1>>[c:1]:1:[c:2]:[n:3](:[n:4]:[n:5]:1)-[C:12]-[c:11]:2:[c:10]:[c:9]:[c:8](-[O:7]-[C:6]):[c:14]:[c:13]:2	1	14363
+[N:1]-[c:2](:[n:3]):[c:4]>>[N:1](-[c:2](:[n:3]):[c:4])-[C:6](=[O:5])-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	14366
+[O-:1]-[N:2]-1-[N:3]=[C:4](-[N:5])-[N+:6](=[O:7])-[C:8]=2-[C:9]-1=[C:10]-[C:11](-[O:12])=[C:14](-[C:13])-[C:15]=2>>[O-:1]-[n+:2]:1:[n:3]:[c:4](-[N:5]):[n:6]:[c:8]:2:[c:9]:1:[c:10]:[c:11](-[O:12]):[c:14](-[C:13]):[c:15]:2.[O:7]-[C:16]	1	14381
+[c:1]-[c:2]:1:[c:3]:[c:4](-[O:5]-[c:6]:2:[n:7]:[c:8]:[n:9]:[c:10]:[c:11]:2):[n:12]:[n:13]:1>>[c:6]:1(:[n:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Cl:14].[c:1]-[C:2]=1-[C:3]-[C:4](=[O:5])-[N:12]-[N:13]=1	1	14390
+[C:1](-[C:2])-[N:7](-[C:4](=[O:3])-[O:5])-[C:6]>>[C:1](-[C:2])-[N:11].[O:3]=[C:4](-[O:5])-[N:7](-[C:6])-[C:9](-[C:8])-[C:10]	1	14404
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[C:6]):[n:7]:[c:8]:1>>[N:5]-[C:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[c:8]:1)-[I:9]	1	14418
+[C:1]-[C:2]-[N:3](-[C:4])-[C:5]>>[C:1]-[C:2]-[O:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13].[N:3](-[C:4])(-[C:5])-[C:21]-[C:20]-1-[O:19]-[C:18](=[O:17])-[N:23](-[C:22]-1)-[C:24]-[c:25]:2:[c:26]:[c:27]:[c:28](-[F:29]):[c:30]:[c:31]:2	1	14419
+[O:1]=[C:2](-[O:3])-[N:5](-[C:4])-[C:6]-[C:7]>>[C:6](-[C:7])-[N:23]-1-[C:17](=[O:16])-[O:18]-[C:19](-[C:20]-[O:21])-[C:22]-1.[O:1]=[C:2](-[O:3])-[N:5](-[C:4])-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[F:8]):[c:15]:[c:14]:1	1	14420
+[C:1]-[n:2]:1:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:2:[c:8]:1:[c:9]:[c:10]:[n:11]:[c:12]:2>>[C:3](=[N:4]-[C:5])=[S:13].[C:1]-[N:2]-[c:8]:1:[c:7](-[N:6]):[c:12]:[n:11]:[c:10]:[c:9]:1	1	14421
+[n:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7](:[c:8]:[n:9]):[c:11]:1:[n:10]>>[n:1]:1:[n:2]:[c:3](:[c:7](:[c:8]:[n:9]):[c:11]:1:[n:10])-[Cl:21].[c:4](:[c:5])(:[c:6])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	1	14431
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[s:6])-[c:7](:[c:8]):[o:9]>>[O:1]=[C:2](-[c:7](:[c:8]):[o:9])-[Cl:10].[N:3]-[c:4](:[n:5]):[s:6]	1	14466
+[c:1]-[C:2]=[C:3]-[c:4](:[n:5]):[c:6]>>[c:1]-[C:2]=[O:7].[C:3](-[c:4](:[n:5]):[c:6])-[P+:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:26]:[c:25]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	1	14487
+[c:1]:1:[n:2]:[c:3]:[c:4](-[O:5]-[c:6]):[n:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[n:7]:[c:8]:1)-[Br:9].[O:5]-[c:6]	1	14489
+[n:1]:1:[c:2](-[C:3]=[O:8]):[n:4]:[c:5](:[c:6]):[c:7]:1>>[n:1]:1:[c:2]:[n:4]:[c:5](:[c:6]):[c:7]:1.[C:3](=[O:8])-[N:10](-[C:9])-[C:11]	1	14492
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](-[c:6](:[c:7]):[c:9]:[n:8]):[n:10]:1>>[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[n:10]:1)-[Cl:20].[c:6](:[c:7])(:[c:9]:[n:8])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	1	14494
+[n:1]:[c:2]:1:[c:3](:[s:4]:[c:5](-[c:6](:[c:7]):[c:8]):[c:9]:1):[c:10]>>[n:1]:[c:2]:1:[c:3](:[s:4]:[c:5](:[c:9]:1)-[I:11]):[c:10].[c:6](:[c:7])(:[c:8])-[B:13](-[O:12])-[O:14]	1	14504
+[n:1]:[c:4]:[c:3](:[n:2]):[c:6](:[c:5])-[B:7](-[O:8])-[O:9]>>[n:1]:[c:4]:[c:3](:[n:2]):[c:6](:[c:5])-[Br:10].[B:7](-[O:8]-[C:13])(-[O:9]-[C:14])-[O:12]-[C:11]	1	14506
+[C:1](=[O:2])-[N:3]-[C:4]-[c:5]>>[C:1](=[O:2])-[N:3].[C:4](-[c:5])-[Br:6]	1	14518
+[n:1]:[c:2](:[c:3]:[n:9]):[c:5](:[c:4])-[B:6](-[O:7])-[O:8]>>[n:1]:[c:2](:[c:3]:[n:9]):[c:5](:[c:4])-[Br:10].[B:6](-[O:7])(-[O:8])-[O:12]-[C:11]	1	14521
+[C:1]-[N:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[c:9]>>[C:1]-[N:2]-[c:9].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:10]	1	14526
+[N:1]-[C:2](=[N:3]-[c:4])-[C:5]>>[C:2](-[N:3]-[c:4])(-[C:5])=[S:6].[N:1]	1	14527
+[n:1]:1:[c:2]:[c:3](-[c:4](:[n:5]:[c:6](:[c:7]):[c:8]):[c:9]):[c:10]:[n:11]:1>>[c:4](:[n:5]:[c:6](:[c:7]):[c:8])(:[c:9])-[Br:12].[n:1]:1:[c:2]:[c:3](:[c:10]:[n:11]:1)-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21]	1	14528
+[n:1]:[c:2]:[c:3](-[c:4](:[n:5]:[c:6](:[c:7]):[c:8]):[c:9]):[c:10]>>[c:4](:[n:5]:[c:6](:[c:7]):[c:8])(:[c:9])-[Br:11].[n:1]:[c:2]:[c:3](:[c:10])-[B:13](-[O:12])-[O:14]	1	14529
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6](:[n:7](:[n:8]):[c:10]:1:[n:9])-[Br:11]>>[c:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[c:6](:[n:7](:[n:8]):[c:10]:1:[n:9])-[c:18]:2:[c:19]:[s:20]:[c:21](-[C:22](-[N:23])=[O:24]):[c:25]:2)-[N:17]-[c:16]:3:[c:15]:[c:14]:[c:13](-[N:12]-4-[C:28]-[C:29]-[N:41](-[C:40])-[C:42]-[C:43]-4):[c:27]:[c:26]:3.[Br:11]-[c:34]:1:[n:33]:[c:32]:[c:31](-[Br:30]):[n:39]:2:[c:35]:1:[n:36]:[c:37]:[n:38]:2	1	14533
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5]:2:[c:6]:[n:7]:[n:8]:[c:9]:2):[n:10](:[n:11]):[c:12]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[n:10](:[n:11]):[c:12]:1)-[Br:13].[c:5]:1(:[c:6]:[n:7]:[n:8]:[c:9]:1)-[B:18]-2-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-2)(-[C:21])-[C:22]	1	14535
+[c:1]:[c:4]:1:[c:3](:[c:2]):[s:10]:[c:6](:[n:5]:1)-[c:7](:[n:8]):[n:9]>>[c:1]:[c:4](:[c:3]:[c:2])-[N:5]-[C:6](-[c:7](:[n:8]):[n:9])=[S:10]	1	14539
+[O:1]=[C:2](-[c:3])-[N:4](-[C:5]-[C:6]=[C:7])-[C:8]>>[O:1]=[C:2](-[c:3])-[Cl:9].[N:4](-[C:5]-[C:6]=[C:7])-[C:8]	1	14542
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[N:6]):[n:7]:[n:8]:[c:9]:1-[N:10]-[c:11]:[c:13]:[n:12]>>[N:10]-[c:11]:[c:13]:[n:12].[N:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])=[C:9](-[S:15]-[C:14])-[S:16]-[C:17].[N:7]-[N:8]	1	14545
+[C:1]-[N:2](-[S:3](=[O:4])(=[O:5])-[C:6]=[C:7])-[C:8]>>[C:1]-[N:2]-[C:8].[S:3](=[O:4])(=[O:5])(-[C:6]-[C:7]-[Cl:9])-[Cl:10]	1	14567
+[C:1](-[c:2](:[c:3]:[s:4]):[n:5])-[Cl:6]>>[C:1]-[c:2](:[c:3]:[s:4]):[n:5].[Cl:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	1	14568
+[c:1](:[n:2])(:[s:3])-[S:5](-[C:4])(=[O:6])=[O:7]>>[c:1](:[n:2])(:[s:3])-[S:5]-[C:4].[O:6]=[S:9](-[O:8])-[O:10]-[O:7]	1	14579
+[C:1](-[c:2](:[c:3]:[s:4]):[n:5])-[P:7](-[O:6])(=[O:8])-[O:9]>>[C:1](-[c:2](:[c:3]:[s:4]):[n:5])-[Cl:12].[O:6]-[P:7](-[O:8]-[C:11]-[C:10])-[O:9]	1	14586
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[n:7]:[c:8]:[c:9]:1>>[c:1]:1:[n:2]:[c:3](:[n:7]:[c:8]:[c:9]:1)-[I:10].[c:4](:[c:5])(:[c:6])-[B:12](-[O:11])-[O:13]	1	14590
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[c:6](-[c:7](:[c:8]:2:[c:9]:[n:10]:[n:11]:[c:12]:2):[c:13]):[n:14]:1>>[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[c:6](:[n:14]:1)-[Cl:24].[c:7](:[c:8]:1:[c:9]:[n:10]:[n:11]:[c:12]:1)(:[c:13])-[B:19]-2-[O:18]-[C:16](-[C:15])(-[C:17])-[C:21](-[O:20]-2)(-[C:22])-[C:23]	1	14597
+[c:1]:[c:2]:[n:3]:1:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[n:9]:[c:10]:[c:11]:1>>[c:1]:[c:2]:[n:3]:1:[c:4](:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Br:12].[c:5](:[c:6])(:[c:7])-[B:14](-[O:13])-[O:15]	1	14607
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[n:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:2:[n:11]:1)-[O:12]>>[n:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1-[N:11].[C:1](=[O:2])(-[C:3](-[C:4]-[Br:14])=[O:13])-[O:12]	1	14612
+[N:1]-[N:2]-1-[N:3]=[C:4](-[N:5])-[c:6](:[c:7]):[c:9](:[c:8])-[C:10]-1=[O:11]>>[n:2]:1:[n:3]:[c:4](-[N:5]):[c:6](:[c:7]):[c:9](:[c:8]):[c:10]:1-[O:11].[N:1]-[O:17]-[P:16](=[O:15])(-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1)-[c:24]:2:[c:14]:[c:13]:[c:12]:[c:26]:[c:25]:2	1	14613
+[C:1]-[N:2]=[S:3]>>[C:1]=[O:4].[N:2]=[S:3]	1	14620
+[c:1](:[n:2]):[c:5]:1:[c:4](:[n:3]):[n:11]:[c:10]:[c:6]:1-[c:7](:[c:8]):[c:9]>>[c:1](:[n:2]):[c:5]:1:[c:4](:[n:3]):[n:11]:[c:10]:[c:6]:1-[Br:12].[c:7](:[c:8])(:[c:9])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21]	1	14622
+[n:1]:[c:2]:[c:3]-[N:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[n:1]:[c:2]:[c:3]-[N:4].[C:5](=[O:6])=[N:7]-[c:8]	1	14628
+[c:1]:[c:2](-[N:3]-1-[C:4]-[C:5]-1):[c:6]>>[N:3]-1-[C:4]-[C:5]-1.[c:1]:[c:2](:[c:6])-[Cl:7]	1	14631
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5](-[C:6]):[c:7](:[c:8]:1-[C:9])-[C:10]>>[C:7](-[C:8]-[C:9])(-[C:10])=[O:12].[c:1]:[c:2]:[c:3](:[c:4])-[N:5](-[C:6])-[N:11]	1	14637
+[c:1]:[c:2](-[N:3]-[C:4]-1=[N:5]-[C:6]-[C:7]-[O:8]-1):[n:9]>>[N:5]-[C:6]-[C:7]-[O:8].[c:1]:[c:2](-[N:3]=[C:4]=[S:10]):[n:9]	1	14639
+[N:1]=[C:2]-1-[N:3]-[C:4]-[C:5]-[O:6]-1>>[N:3]-[C:4]-[C:5]-[O:6].[N:1]=[C:2]=[S:7]	1	14640
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5](-[C:6]-[N:7](-[C:8])-[C:9])-[c:10]>>[C:6]=[O:11].[N:7](-[C:8])-[C:9].[C:1]=[C:2]-[C:3](=[O:4])-[N:5]-[c:10]	1	14654
+[N+:1]-[C:2]=[C:3](-[N:4](-[C:5])-[C:6])-[S:7]>>[N:4](-[C:5])-[C:6].[N+:1]-[C:2]=[C:3](-[S:7])-[S:9]-[C:8]	1	14676
+[O:1]-[c:2]:1:[n:3]:[c:4](-[C:5]-[N:6]-[C:7]):[n:8]:[c:9]:2:[c:10]:1:[o:11]:[c:12](:[c:13]:2:[c:14]:[c:15]):[c:16]>>[C:9]-1-[C:13]-[C:19]-[N:20]-[C:17]-[C:18]-1.[N:6]-[C:7].[O:1]=[C:2](-[N:3])-[C:10]-[O:11]-[c:12](:[c:4](-[C:5]#[N:8]):[c:14]:[c:15]):[c:16]	1	14681
+[c:1](:[c:2](-[C:3]-[N:4](-[C:5])-[C:6]):[n:7]):[n:8]>>[N:4](-[C:5])-[C:6].[c:1](:[c:2](-[C:3]-[Br:9]):[n:7]):[n:8]	1	14684
+[O:1]=[C:2](-[C:3](-[N:4](-[C:5])-[C:6])=[N:7])-[N:8]>>[N:4](-[C:5])-[C:6].[O:1]=[C:2](-[C:3](=[N:7])-[Cl:9])-[N:8]	1	14726
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+[c:1]:[n:2]:[c:3](-[N:4]):[n:5]:[c:6]>>[c:1]:[n:2]:[c:3](:[n:5]:[c:6])-[S:8]-[C:7].[N:4]	1	15849
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+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[c:6](-[c:7](:[c:8]:[c:10]:[n:9]):[c:11]):[n:12]:1>>[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[c:6](:[n:12]:1)-[Cl:13].[c:7](:[c:8]:[c:10]:[n:9])(:[c:11])-[B:15](-[O:14])-[O:16]	1	15883
+[c:1]:[c:2]:1:[n:3]:[c:4](-[O:5]-[C:6]):[n:7]:[c:8]:[c:9]:1>>[O:5]-[C:6].[c:1]:[c:2]:1:[n:3]:[c:4](:[n:7]:[c:8]:[c:9]:1)-[Cl:10]	1	15892
+[n:1]:1:[c:2](-[C:3]):[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[N:1]-[c:6](:[c:5](-[N+:4](=[O:11])-[O-:12]):[c:8]):[c:7].[C:2](-[C:3])(=[O:9])-[O:10]	1	15895
+[O:1]=[C:2](-[C:3]-[N:4](-[c:5](:[c:6]):[c:7])-[C:8])-[N:9]>>[c:5](:[c:6])(:[c:7])-[Br:10].[O:1]=[C:2](-[C:3]-[N:4]-[C:8])-[N:9]	1	15912
+[N:1]-[C:2](-[c:3](:[n:4]):[n:5])=[S:6]>>[N:1]-[C:2](-[c:3](:[n:4]):[n:5])=[O:26].[S:6]=[P:14]-1(-[S:13]-[P:11](-[c:10]:2:[c:9]:[c:8]:[c:7](:[c:25]:[c:24]:2)-[O:28]-[C:27])(=[S:12])-[S:23]-1)-[c:15]:3:[c:16]:[c:17]:[c:18](-[O:19]-[C:20]):[c:21]:[c:22]:3	1	15928
+[c:1]:[c:2](:[s:3]):[c:4](-[c:5](:[c:6]):[c:7]):[c:8]>>[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12].[c:1]:[c:2](:[s:3]):[c:4](:[c:8])-[Br:9]	1	15934
+[C:1]-1(-[N:2]-[c:3](:[c:4](:[c:5])-[C:7](-[C:8])-[C:10]-1-[C:9]):[c:6])=[O:11]>>[c:1]:1(:[n:2]:[c:3](:[c:4](:[c:5]):[c:7](-[C:8]):[c:10]:1-[C:9]):[c:6])-[O:11]	1	15945
+[C:1]-[C:2](-[c:3]:[c:4]:[n:5])=[O:6]>>[C:1]=[C:2](-[c:3]:[c:4]:[n:5])-[O:6]-[C:8]-[C:7]	1	15953
+[N:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]):[n:7]:[c:8]:[c:9]:1>>[c:3]:1(:[n:4]:[c:5](:[c:6]):[n:7]:[c:8]:[c:9]:1)-[Cl:10].[N:1]-[N:2]	1	15957
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]:[c:11]:[n:10]>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:21].[c:1]:[c:2](:[c:9]:[c:11]:[n:10])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	1	15958
+[O:1]=[C:2]-[c:3]:1:[c:4]:[c:5](:[c:6](:[s:7]:1):[c:8]):[n:9]>>[c:3]:1:[c:4]:[c:5](:[c:6](:[s:7]:1):[c:8]):[n:9].[O:1]=[C:2]-[N:11](-[C:10])-[C:12]	1	15974
+[n:1]:[c:2]:[c:3](-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:[n:11]:1:[c:10]:[c:9]):[c:12]>>[c:4]:1(:[c:5]:[n:6]:[c:7]:[c:8]:[n:11]:1:[c:10]:[c:9])-[Br:13].[n:1]:[c:2]:[c:3](:[c:12])-[B:18]-1-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-1)(-[C:21])-[C:22]	1	15982
+[C:1]-[C:2](-[O:3])-[C:4](-[O:5])-[C:6]>>[O-:3]-[N+:8]-1(-[C:7])-[C:9]-[C:10]-[O:11]-[C:12]-[C:13]-1.[O:5]=[Os:15](=[O:14])(=[O:16])=[O:17].[C:1]-[C:2]=[C:4]-[C:6]	1	16022
+[C:1]-1=[C:2]-[N:3]-[C:4](=[O:5])-[C:6](-[F:7])=[C:8]-1-[Cl:9]>>[F:7]-[N+:15]-1-2-[C:14]-[C:13]-[N+:12](-[C:11]-[Cl:10])(-[C:17]-[C:16]-1)-[C:19]-[C:18]-2.[C:1]-1=[C:2]-[N:3]-[C:4](=[O:5])-[C:6]=[C:8]-1-[Cl:9]	1	16028
+[c:1]:[c:2](-[F:3]):[c:4]>>[F:3]-[N+:5]-1-2-[C:6]-[C:7]-[N+:12](-[C:9]-[C:8]-1)(-[C:11]-[Cl:10])-[C:13]-[C:14]-2.[c:1]:[c:2]:[c:4]	1	16030
+[n:1]:1:[n:2]:[c:3]:[c:4](-[F:5]):[c:6]:1>>[F:5]-[N+:12]-1-2-[C:11]-[C:10]-[N+:9](-[C:8]-[Cl:7])(-[C:14]-[C:13]-1)-[C:16]-[C:15]-2.[n:1]:1:[n:2]:[c:3]:[c:4]:[c:6]:1	1	16031
+[C:1](=[C:2](-[C:5])-[c:6])(-[C:3]#[N:4])-[C:8](-[O:7])=[O:9]>>[C:2](-[C:5])(-[c:6])=[O:10].[C:1](-[C:3]#[N:4])-[C:8](-[O:7])=[O:9]	1	16039
+[C:1]-[C:2]-[C:3](-[C:4])(-[c:5])-[O:6]>>[C:3](-[C:4])(-[c:5])=[O:6].[C:1]-[C:2]-[Mg:8]-[Br:7]	1	16040
+[c:1]-[O:2]-[C:3](-[C:4])(-[C:5]-[I:6])-[C:7]>>[c:1]-[O:2].[C:3](-[C:4])(=[C:5])-[C:7].[I:6](=[O:8])(=[O:9])-[Cl:10]	1	16050
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[I:9].[c:1]-[N:2]	1	16062
+[C:1]-[C:2](-[C:3])-[N:4]-[C:5]>>[C:1]-[C:2](-[C:3])-[Br:6].[N:4]-[C:5]	1	16064
+[C:1]-[C:2]-[C:3](-[C:4]=[O:6])-[C:5]>>[C:3](-[C:4]=[O:6])-[C:5].[C:1]-[C:2]=[O:7]	1	16066
+[c:1]:1:[c:2]:[n:3]:[c:4](-[C:5](-[O:6])(-[C:7])-[c:8]):[s:9]:1>>[C:5](=[O:6])(-[C:7])-[c:8].[c:1]:1:[c:2]:[n:3]:[c:4]:[s:9]:1	1	16069
+[C:1](=[O:2])-[C:3](=[O:4])-[c:5]>>[C:1](=[O:2])-[C:3]-[c:5].[O:4]=[Se:7]=[O:6]	1	16071
+[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5](-[C:6])-[c:7]):[n:8]:[c:9]:1:[c:10]>>[N:5](-[C:6])-[c:7].[c:1]:1:[n:2]:[c:3]:[c:4](:[n:8]:[c:9]:1:[c:10])-[Cl:11]	1	16075
+[C:1]-[N:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Cl:7].[C:1]-[N:2]	1	16090
+[c:1](:[c:2])(:[c:4]:[n:3])-[Cl:5]>>[c:1](:[c:2]):[c:4]:[n:3].[Cl:5]-[Cl:6]	1	16091
+[c:1]:[c:2](-[N:3]=[C:4]-[O:6]):[s:5]>>[c:1]:[c:2](-[N:3]):[s:5].[C:4](-[O:6])(-[O:9]-[C:8]-[C:7])-[O:10]-[C:11]-[C:12]	1	16107
+[N:1](-[C:2])(-[C:3])-[C:5]#[N:4]>>[N:1](-[C:2])(-[C:3])-[C:7].[N:4]#[C:5]-[Br:6]	1	16110
+[N:1]-[C:8]=1-[N:2]-[C:3](=[O:4])-[N:5]=[C:6](-[C:7]=1)-[Cl:9]>>[N:1]-[C:8]=1-[N:2]-[C:3](=[O:4])-[N:5]-[C:6](-[C:7]=1)=[O:14].[Cl:9]-[P:11](=[O:10])(-[Cl:12])-[Cl:13]	1	16113
+[n:1]:[c:2](-[N:3]-[C:4]-1=[N:5]-[C:6](-[C:7]-[N:8]-1-[C:11](-[C:10])=[O:12])=[O:13]):[c:9]>>[C:4]-1=[N:5]-[C:6](-[C:7]-[N:8]-1-[C:11](-[C:10])=[O:12])=[O:13].[n:1]:[c:2](-[N:3]):[c:9]	1	16114
+[C:1]-[C:2]-1(-[C:3](=[O:4])-[O:5])-[C:6]-[C:7]-1>>[C:1]-[C:2](-[C:3](=[O:4])-[O:5])=[C:6].[C:7]-[S+:9](-[C:8])(-[C:10])=[O:11]	1	16130
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[c:7]):[n:8]>>[C:1]-[N:2].[N:5]-[c:6](:[c:7]):[n:8].[C:3](=[O:4])(-[n:13]:1:[c:9]:[n:10]:[c:11]:[c:12]:1)-[n:14]:2:[c:15]:[c:16]:[n:17]:[c:18]:2	1	16162
+[C:1](-[C:2])-[Cl:3]>>[C:1](-[C:2])-[O:7].[Cl:3]-[C:6]-[C:5]-[Cl:4]	1	16165
+[c:1]:[c:2](-[C:3]=[O:4]):[c:5]>>[C:3]-1-[N:7]-2-[C:6]-[N:20]-3-[C:12]-[N:11]-1-[C:10]-[N:9](-[C:8]-2)-[C:19]-3.[O:4]=[C:14](-[O:13])-[C:15](-[F:16])(-[F:17])-[F:18].[c:1]:[c:2]:[c:5]	1	16172
+[O:1]=[C:2]-[c:3]:1:[c:4]:[n:5]:[c:6](:[n:7]):[c:8]:1>>[C:2]-1-[N:12]-2-[C:11]-[N:10]-3-[C:9]-[N:14](-[C:13]-2)-[C:15]-[N:16]-1-[C:17]-3.[O:1].[c:3]:1:[c:4]:[n:5]:[c:6](:[n:7]):[c:8]:1	1	16173
+[O:1]=[C:2](-[c:3])-[N:4](-[C:5])-[C:8]-[C:7](-[N:6])=[O:9]>>[N:4](-[C:5])-[C:8]-[C:7](-[N:6])=[O:9].[O:1]=[C:2](-[c:3])-[Cl:10]	1	16186
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:1:[n:9]>>[c:5](:[c:6])(:[c:7])-[B:16]-1-[O:15]-[C:14]-[C:12](-[C:11])(-[C:13])-[C:18]-[O:17]-1.[c:1]:1:[n:2]:[c:3]:[c:4](:[n:8]:1:[n:9])-[Br:10]	1	16231
+[c:1]:[c:2]:[c:3]:[n:4]>>[c:1]:[c:2](:[c:3]:[n:4])-[B:8]-1-[O:7]-[C:6]-[C:5]-[C:10]-[O:9]-1	1	16237
+[N:1]-[C:2](=[N:3]-[C:4])-[S:9].[c:5]:[c:6](-[N+:7](=[O:10])-[O-:11]):[c:8]>>[N:1]=[C:2](-[N:3]-[C:4])-[S:9].[c:5]:[c:6]:[c:8].[N+:7](=[O:10])(-[O-:11])-[O:12]	1	16239
+[c:1](-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[c:7](:[c:8]:1:[c:9]:[n:10]):[n:11]):[c:12]:[n:13]>>[c:4]:1(:[c:5]:[n:6]:[c:7](:[c:8]:1:[c:9]:[n:10]):[n:11])-[I:18].[c:1](-[C:2](=[O:3])-[N:16](-[O:15]-[C:14])-[C:17]):[c:12]:[n:13]	1	16246
+[N:1]-[C:3]-1(-[C:2])-[C:4]-[C:5]-1>>[N:1]-[C:3](-[C:2])=[O:6].[C:4](-[C:5])-[Mg+:7]	1	16250
+[C:1](-[C:2]#[C:3]-[C:4])-[O:5]>>[C:1]=[O:5].[C:2]#[C:3]-[C:4]	1	16264
+[c:1]-[O:2]-[C:3]-[C:4]#[C:5]-[C:6]>>[C:3](-[C:4]#[C:5]-[C:6])-[O:7].[c:1]-[O:2]	1	16265
+[C:1]-[Si:2](-[O:3]-[C:4]-[C:5]#[C:6])(-[c:7])-[c:8]>>[O:3]-[C:4]-[C:5]#[C:6].[C:1]-[Si:2](-[c:7])(-[c:8])-[Cl:9]	1	16266
+[c:1]:[c:2](-[C:3](-[C:4])(-[O:5])-[C:6](-[F:7])(-[F:8])-[F:9]):[c:10]>>[c:1]:[c:2](:[c:10])-[Br:11].[C:3](-[C:4])(=[O:5])-[C:6](-[F:7])(-[F:8])-[F:9]	1	16276
+[C:1](=[O:2])(-[C:3]-[C:4](=[O:5])-[c:6])-[O:7]>>[C:4](=[O:5])(-[c:6])-[O:9]-[C:8].[C:1](=[O:2])(-[C:3])-[O:7]	1	16280
+[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[N:7]-[O:8]>>[N:7]-[O:8].[N:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:9]	1	16296
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[O:7]):[c:8]:[n:9]>>[N:6]-[O:7].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:10]):[c:8]:[n:9]	1	16298
+[c:1]:[c:2](-[C:3](-[N:4]=[N+:8]=[N-:7])-[C:5]):[o:6]>>[c:1]:[c:2](-[C:3](-[C:5])-[O:23]):[o:6].[N:4](=[N+:8]=[N-:7])-[P:10](=[O:9])(-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2	1	16317
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[c:6](:[c:7]):[c:8])(-[C:9])-[C:10]>>[O:1]-[C:2](=[O:3])-[C:4]=[C:5](-[C:9])-[C:10].[c:6](:[c:7])(:[c:8])-[B:12](-[O:11])-[O:13]	1	16328
+[C:1]-[N:2]-[C:3](-[C:4]#[N:5])(-[C:6])-[C:7]>>[C:3](-[C:6])(-[C:7])=[O:12].[C:4](#[N:5])-[Si:9](-[C:8])(-[C:10])-[C:11].[C:1]-[N:2]	1	16332
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:6]>>[N:5]-[C:6].[c:1]-[N:2].[C:3](=[O:4])(-[Cl:7])-[Cl:8]	1	16337
+[C:1]=[C:2]-[C:3](-[C:4](-[N:5])=[O:18])=[C:6]-[N:7]>>[C:1]=[C:2]-[C:3](-[C:4](-[O:17])=[O:18])=[C:6]-[N:7].[n:5]:1:[c:15]:[c:14]:[n:13](:[c:16]:1)-[C:20](-[n:8]:2:[c:9]:[c:10]:[n:11]:[c:12]:2)=[O:19]	1	16355
+[C:1]=[C:2]-[C:3](-[c:4]:1:[n:5]:[n:6]:[n:7]:[n:8]:1)=[C:9]-[N:10]>>[C:1]=[C:2]-[C:3](-[C:4]#[N:5])=[C:9]-[N:10].[N-:6]=[N+:7]=[N-:8]	1	16357
+[C:1]=[C:2]-[C:3](-[C:4]#[N:5])=[C:6]-[N:7]>>[C:1]=[C:2]-[C:3](-[C:4](-[N:5])=[O:8])=[C:6]-[N:7]	1	16358
+[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:[c:7]:1>>[O:1](-[c:2]:1:[c:3]:[c:7]:[c:6]:[c:5]:[c:4]:1)-[C:8]	1	16372
+[n:1]:[c:2]:[c:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[n:8]:1>>[n:1]:[c:2]:[c:3]-[C:4]#[C:5].[N:6](=[N+:7]=[N-:8])-[Si:10](-[C:9])(-[C:11])-[C:12]	1	16373
+[C:1]-[c:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1>>[C:1]-[C:2]#[C:3].[N-:4]=[N+:5]=[N:6]-[Si:8](-[C:7])(-[C:9])-[C:10]	1	16375
+[c:1]-[C:2]-1-[C:3](-[C:4]#[N:5])=[C:6](-[N:7])-[O:8]-[c:9]:[c:10]-1:[c:11]>>[O:8]-[c:9]:[c:10]:[c:11].[c:1]-[C:2]=[C:3](-[C:4]#[N:5])-[C:6]#[N:7]	1	16382
+[C:1](-[c:2])(=[C:3](-[C:4](=[O:5])-[N:6])-[c:7])-[O:8]>>[C:3](-[C:4](=[O:5])-[N:6])-[c:7].[C:1](-[c:2])(-[O:8])(-[O:11]-[C:10]-[C:9])-[O:12]-[C:13]-[C:14]	1	16404
+[N:1](-[C:2](-[C:3])-[C:5](-[N:4])=[O:6])=[N+:7]=[N-:8]>>[C:2](-[C:3])(-[C:5](-[N:4])=[O:6])-[I:9].[N-:1]=[N+:7]=[N-:8]	1	16407
+[C:1](-[C:2]-[C:3])=[O:4]>>[C:1](-[C:2](-[C:3])-[C:7](-[O:6]-[C:5])=[O:8])=[O:4]	1	16411
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+[N:1]#[C:2]-[c:3]:1:[n:4]:[c:5]:[c:6](:[c:7]:[c:8]:1-[Br:9])-[Br:10]>>[N-:1]=[C:2]=[C:3]-1-[N+:4](-[C:5]=[C:6](-[C:7]=[C:8]-1-[Br:9])-[Br:10])=[O:11]	1	16441
+[C:1](=[C:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7])-[C:8]>>[C:1](=[C:2](-[C:3](=[O:4])-[O:9])-[C:7])-[C:8].[N:5]-[c:6]	1	16446
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+[O:1]=[C:2](-[C:3]-1=[C:4](-[C:5])-[N:6]-[C:7](=[O:8])-[C:9](-[F:10])=[C:11]-1-[N:12]-[c:13])-[O:14]>>[O:1]=[C:2](-[C:3]-1=[C:4](-[C:5])-[N:6]-[C:7](=[O:8])-[C:9](-[F:10])=[C:11]-1-[Cl:15])-[O:14].[N:12]-[c:13]	1	16449
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+[O:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:15]):[s:6]:[c:7](-[n:8]:2:[c:9]:[n:10]:[c:11]:[c:12]:2:[c:13]):[c:14]:1>>[O:1]=[C:2]-1-[C:3](-[C:4](=[O:5])-[O:15])(-[S:6]-[C:7]=[C:14]-1)-[Cl:16].[n:8]:1:[c:9]:[n:10]:[c:11]:[c:12]:1:[c:13]	1	16478
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+[C:1]=[C:2]-[C:3]-[C:4](-[C:5]-[C:6]-[C:7](=[O:8])-[O:9])(-[C:10](=[O:11])-[C:12]=[C:13])-[c:14]>>[C:5]=[C:6]-[C:7](=[O:8])-[O:9].[C:1]=[C:2]-[C:3]-[C:4](-[C:10](=[O:11])-[C:12]=[C:13])-[c:14]	1	16542
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+[c:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[c:8]:[c:9]:1:2>>[C:1]=[C:2]-[Mg:11]-[Br:10].[N+:3](-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:[c:9]:1)(=[O:12])-[O-:13]	1	16563
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+[c:1]-[N:2](-[C:3])-[C:4]>>[C:3]=[O:5].[C:4]-[O:6].[c:1]-[N:2]	1	16649
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+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[n:6]:[c:7]-2:[c:8]:1-[C:9](=[O:10])-[N:11]-[C:12](=[O:13])-[N:14]-2>>[C:1]-[C:2](-[C:3]-[C:4](-[C:5])=[O:15])=[O:16].[N:6]-[C:7]-1=[C:8]-[C:9](=[O:10])-[N:11]-[C:12](=[O:13])-[N:14]-1	1	16792
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+[c:1]-[N:2](-[C:3](-[C:4])=[O:5])-[C:6]-1=[C:7](-[N:8])-[C:9]-[C:10]-1=[O:11]>>[c:1]-[N:2]-[C:6]-1=[C:7](-[N:8])-[C:9]-[C:10]-1=[O:11].[C:3](-[C:4])(=[O:5])-[O:15]-[C:13](-[C:12])=[O:14]	1	16824
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+[c:1]:[c:2](-[O:3]-[C:8](-[C:7])=[O:9]):[n+:4]:[c:5]:[c:6]>>[c:1]:[c:2]:[n+:4]:[c:5]:[c:6].[O:3](-[C:8](-[C:7])=[O:9])-[C:11](-[C:10])=[O:12]	1	16860
+[C:1]-[C:2](=[O:3])-[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:1:[n:9]>>[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:1:[n:9].[C:1]-[C:2](=[O:3])-[O:13]-[C:11](-[C:10])=[O:12]	1	16861
+[C:1](=[O:2])(-[C:3])-[c:4]>>[C:1](-[C:3])-[c:4].[O:2]=[C:9](-[O:8]-[C:6](-[C:5])=[O:7])-[C:10]	1	16864
+[c:1]-1:[c:2]-[C:3](=[C:4](-[O:5])-[c:6])-[C:7](=[O:8])-[N:9]-1-[C:10](-[C:11])=[O:12]>>[C:10](-[C:11])(=[O:12])-[O:16]-[C:14](-[C:13])=[O:15].[C:4](-[O:5])(-[c:6])(-[O:19]-[C:18]-[C:17])-[O:20]-[C:21]-[C:22].[c:1]-1:[c:2]-[C:3]-[C:7](=[O:8])-[N:9]-1	1	16869
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+[C:1]=[C:2]-[C:3]-[N:4]-[C:5](-[C:6])=[O:7]>>[C:5](-[C:6])(=[O:7])-[O:11]-[C:9](-[C:8])=[O:10].[C:1]=[C:2]-[C:3]-[N:4]	1	16973
+[c:1]-[C:2]=1-[C:3]-[C:4](=[O:5])-[N+:6](=[C:7]-[C:8]=1)-[O-:15]>>[O:5]=[C:13](-[O:12]-[C:10](-[C:9])=[O:11])-[C:14].[c:1]-[c:2]:1:[c:3]:[c:4]:[n+:6](:[c:7]:[c:8]:1)-[O-:15]	1	16997
+[N+:1]-1(-[C:2]=[C:3]-[C:4](-[c:5])=[C:6]-[C:7]-1=[O:8])-[O-:15]>>[O:8]=[C:13](-[O:12]-[C:10](-[C:9])=[O:11])-[C:14].[n+:1]:1(:[c:2]:[c:3]:[c:4](-[c:5]):[c:6]:[c:7]:1)-[O-:15]	1	16998
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:8]-[C:7]=[C:6]>>[C:1]-[C:2](=[O:3])-[O:12]-[C:10](-[C:9])=[O:11].[N:4](-[C:5])-[C:8]-[C:7]=[C:6]	1	17006
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+[C:1]-[C:2](=[O:3])-[N:4](-[c:5])-[c:6]>>[C:1]-[C:2](=[O:3])-[O:10]-[C:8](-[C:7])=[O:9].[N:4](-[c:5])-[c:6]	1	17016
+[C:1]-[C:2](=[C:3](-[c:4])-[C:5]=[O:8])-[O:7]-[c:6]>>[C:1]-[C:2](-[O:10]-[C:13](=[O:9])-[C:12])=[O:11].[C:3](-[c:4])-[C:5]=[O:8].[c:6]-[O:7]	1	17023
+[C:1]-[C:2](=[O:3])-[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[c:8]>>[C:1]-[C:2](=[O:3])-[O:13]-[C:11](-[C:10])=[O:12].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[c:8]	1	17039
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+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1>>[C:1]-[C:2](=[O:3])-[O:13]-[C:11](-[C:10])=[O:12].[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1	1	17052
+[c:1]-[C:2]-1=[C:3]-[C:4]=[C:5](-[C:6])-[C:7](-[N+:8]-1-[O-:11])=[O:9]>>[O:9]=[C:16](-[C:10])-[O:15]-[C:13](-[C:12])=[O:14].[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]):[c:7]:[n+:8]:1-[O-:11]	1	17057
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[c:6](:[c:7]:[n:8]):[n:9])-[C:10]-1(-[Br:11])-[C:12](=[O:13])-[N:14]-[C:15]-1>>[C:1]-[C:2](=[O:3])-[O:19]-[C:17](-[C:16])=[O:18].[O:4]=[C:5]-[c:6](:[c:7]:[n:8]):[n:9].[C:10]-1(-[Br:11])-[C:12](=[O:13])-[N:14]-[C:15]-1	1	17060
+[C:1](=[O:2])-[O:7]-[C:5](=[N:4]-[c:3])-[C:6]>>[C:5](-[C:6])(-[O:11]-[C:9](-[C:8])=[O:10])=[O:12].[C:1](=[O:2])-[O:7].[c:3]-[N:4]	1	17067
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5]:[c:6]:[s:7]>>[C:1]-[C:2](=[O:3])-[O:11]-[C:9](-[C:8])=[O:10].[N:4]-[c:5]:[c:6]:[s:7]	1	17070
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[C:6](=[O:7])-[O:8]>>[C:1]-[C:2](=[O:3])-[O:12]-[C:10](-[C:9])=[O:11].[O:4]-[C:5]-[C:6](=[O:7])-[O:8]	1	17088
+[C:1]=[C:2]-[C:3]-[O:7]-[C:5](-[C:4])=[O:6]>>[C:4]-[C:5](=[O:6])-[O:11]-[C:9](-[C:8])=[O:10].[C:1]=[C:2]-[C:3]-[O:7]	1	17105
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]:[n:7]):[n:8]>>[C:1]-[C:2](=[O:3])-[O:12]-[C:10](-[C:9])=[O:11].[N:4]-[c:5](:[c:6]:[n:7]):[n:8]	1	17106
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[N:7]):[o:8]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[N:5])-[O:8].[C:6](#[N:7])-[Br:9]	1	17120
+[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[O:6]-[C:7]>>[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[O:13]-[C:11](-[C:9](=[C:8])-[C:10])=[O:12].[O:6]-[C:7]	1	17127
+[C:1]-[C:2](-[C:3])(-[O:4]-[c:5])-[C:7](-[N:6])=[O:8]>>[C:1]-[C:2](-[C:3])(-[C:7](-[N:6])=[O:8])-[Br:9].[O:4]-[c:5]	1	17132
+[n:1]:[c:4]:1:[c:3](:[n:2]):[c:8](:[n:7]:[c:6]:[c:5]:1)-[C:9]#[C:10]-[C:11]>>[n:1]:[c:4]:1:[c:3](:[n:2]):[c:8](:[n:7]:[c:6]:[c:5]:1)-[Cl:12].[C:9]#[C:10]-[C:11]	1	17137
+[C:1]-[C:2]#[C:3]-[c:4](:[c:5]):[c:11].[C:6]-[N:10]-[C:8](-[O:7])=[N:9]>>[C:1]-[C:2]#[C:3].[c:4](:[c:5])(:[c:11])-[I:12].[C:6]-[N:10]=[C:8](-[O:7])-[N:9]	1	17141
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+[C:1]-[C:2](-[C:3])(-[O:4])-[C:5](-[F:6])(-[F:7])-[F:8]>>[C:1]-[C:2](-[C:3])=[O:4].[C:5](-[F:6])(-[F:7])(-[F:8])-[Si:10](-[C:9])(-[C:11])-[C:12]	1	17176
+[N:1]-[C:2](-[C:3])(-[C:4])-[c:5]>>[N:1]-[C:7](-[C:2](-[C:3])(-[C:4])-[c:5])=[O:6]	1	17180
+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[C:7]-1>>[c:1]-[C:2](-[C:7]-[C:5](=[O:6])-[O:9]-[C:8])=[O:10].[N:3]-[N:4]	1	17188
+[C:1]-[N:2](-[C:3](-[C:4])(-[C:5])-[C:6](=[O:7])-[O:9])-[C:8]>>[C:3](-[C:4])(-[C:5])(-[C:6](=[O:7])-[O:9])-[Br:10].[C:1]-[N:2]-[C:8]	1	17197
+[c:1]-1:[c:2]-[O:3]-[C:4](-[C:5])(-[C:6])-[C:7](=[O:8])-[N:9]-1>>[C:4](-[C:5])(-[C:6])(-[C:7](=[O:8])-[O:12]-[C:11]-[C:10])-[Br:13].[c:1](:[c:2]-[O:3])-[N:9]	1	17201
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:6](:[n:5]):[n:7]:[c:8]:[c:9]:1):[c:10]>>[c:1]:[c:2](:[c:10])-[Br:11].[c:3]:1(:[c:4]:[c:6](:[n:5]):[n:7]:[c:8]:[c:9]:1)-[B:13](-[O:12])-[O:14]	1	17214
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[c:8]:[c:9]:[c:10]:1:[c:11](:[c:12]):[c:13](-[O:14]):[c:15](:[c:16]):[c:18](:[c:17]):[n:19]:1>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5].[C:6](=[O:7])(-[c:8]:[c:9]:[c:10]-1:[c:11](:[c:12])-[C:13](=[O:14])-[c:15](:[c:16]):[c:18](:[c:17])-[N:19]-1)-[O:20]	1	17237
+[C:1](-[C:2]-[Cl:4])-[O:3]>>[C:1]-1-[C:2]-[O:3]-1.[Cl:4]	1	17241
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+[C:1]-[C:2]-[N:3]-[S:4]>>[C:1]-[C:2]-[Br:5].[N:3]-[S:4]	1	17249
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+[n:1]:[n:2]:[c:3](-[C:4]#[C:5]-[C:6]):[c:7]>>[C:4]#[C:5]-[C:6].[n:1]:[n:2]:[c:3](:[c:7])-[Cl:8]	1	17271
+[c:1]-[N:2]=[C:3]-[N:4]>>[c:1]-[N:2].[C:3](-[N:4])=[O:5]	1	17272
+[C:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2]#[C:3]-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1-[N:10]-[C:15](-[O:14]-[C:11](-[C:12])(-[C:13])-[C:17])=[O:16]	1	17275
+[C:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2:[n:10]:1-[C:11]>>[C:1]-[C:2]#[C:3]-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1-[N:10]-[C:11]	1	17277
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[n:6]:[n:7]:1>>[N:3]=[C:4](-[C:5])-[O:9]-[C:8].[C:1]-[C:2](-[N:7]-[N:6])=[O:10]	1	17287
+[n:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:1-[C:6]>>[N:4]=[C:5](-[C:6])-[O:9]-[C:8]-[C:7].[N:1]-[C:2]-[C:3](-[O:11]-[C:10])-[O:12]-[C:13]	1	17288
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[C:1]-[C:2](=[N:3]-[O:4])-[N:7].[C:5](-[c:6])(=[O:8])-[Cl:9]	1	17289
+[N:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[n:6](-[c:7]):[c:8](-[O:9]-[C:10]-[C:11](=[O:12])-[C:13]):[c:14]:1>>[N:1]-[C:2](=[O:3])-[C:4]-1=[N:5]-[N:6](-[c:7])-[C:8](=[O:9])-[C:14]-1.[C:10](-[C:11](=[O:12])-[C:13])-[Br:15]	1	17291
+[c:1]-[N:5](-[C:3](-[C:2])=[O:4])-[C:6]-[C:7](=[O:8])-[C:9]>>[C:6](-[C:7](=[O:8])-[C:9])-[Br:10].[c:1]-[N:5]-[C:3](-[C:2])=[O:4]	1	17292
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6](-[C:7])=[O:10])-[C:8]=[O:9]>>[C:5](-[C:6](-[C:7])=[O:10])-[Br:11].[N:1]-[C:2](=[O:3])-[N:4]-[C:8]=[O:9]	1	17300
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:[o:7]:1>>[C:1]-[C:2](-[N:3])=[O:7].[C:4](-[C:5])(-[C:6]-[Cl:9])=[O:8]	1	17366
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5](:[o:6]:1):[c:7]):[c:8]>>[C:1]=[C:2]-[C:3]-[c:4](:[c:5](-[O:6]):[c:7]):[c:8]	1	17384
+[c:1]:[c:3](:[c:2])-[C:4](-[O:5])-[c:6](:[n:7]):[c:8]>>[c:1]:[c:3]:[c:2].[C:4](=[O:5])-[c:6](:[n:7]):[c:8]	1	17399
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2](-[N:8]-[c:7](:[c:4](-[C:3]):[c:5]):[c:6])=[O:9]	1	17401
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5]:2:[c:6]:[n:7]:[n:8]:[c:9]:2:[n:10]:1)-[O:11]>>[C:1]-[C:2](-[N:10]-[c:9]:1:[c:5](-[C:4](-[N:3])=[O:11]):[c:6]:[n:7]:[n:8]:1)=[O:12]	1	17404
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:3](=[O:4])(-[C:5])-[O:12]-[C:10](-[C:7](-[C:6])(-[C:8])-[C:9])=[O:11].[C:1]-[O:2]	1	17420
+[C:1]-[C:2](=[O:3])-[O:4]-[c:5]>>[C:1]-[C:2](=[O:3])-[O:12]-[C:10](-[C:7](-[C:6])(-[C:8])-[C:9])=[O:11].[O:4]-[c:5]	1	17421
+[C:1]-[C:2]-[C:3]-[c:4]>>[C:1]-[C:2].[C:3](-[c:4])=[O:5]	1	17432
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5](=[O:6])-[N:7]-[C:8]-[C:9](-[N:10])=[O:11])-[c:12]>>[N:7]-[C:8]-[C:9](-[N:10])=[O:11].[N:1]-[C:2](=[O:3])-[N:4]-[c:12].[C:5](=[O:6])(-[O:20]-[c:19]:1:[c:18]:[c:17]:[c:16](-[N+:14](=[O:13])-[O-:15]):[c:23]:[c:22]:1)-[Cl:21]	1	17451
+[C:1]-[C:2](=[O:3])-[O:4]>>[C:1]-[C:2]=[O:3].[O:4]-[S:6](-[N:5])(=[O:7])=[O:8]	1	17459
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[c:6](:[n:7]):[c:8]):[o:9]:1>>[C:1]-[C:2](-[C:3]-[N:4]-[C:5](-[c:6](:[n:7]):[c:8])=[O:9])=[O:10]	1	17475
+[C:1]-[C:2]-[S:3]-[C:5](-[C:4])=[O:6]>>[C:1]-[C:2]-[O:11]-[S:8](-[C:7])(=[O:9])=[O:10].[S:3]=[C:5](-[C:4])-[O:6]	1	17481
+[N:1]-[C:3](-[C:2])-[C:4]>>[C:2]-[C:3](-[C:4])=[O:5].[N:1]#[C:7]-[B:6]	1	17495
+[N:1]-[C:2](-[N:3]-[C:4])=[C:5](-[C:6])-[S:7]>>[N:3]-[C:4].[N:1]-[C:2](=[C:5](-[C:6])-[S:7])-[S:9]-[C:8]	1	17500
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[C:6]#[N:7]):[c:8]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[Br:9].[C:6]#[N:7]	1	17524
+[c:1]:[c:2](-[C:3](-[O:4])-[c:5]:[c:7]:[n:6]):[c:8]>>[c:1]:[c:2]:[c:8].[C:3](=[O:4])-[c:5]:[c:7]:[n:6]	1	17555
+[c:1](:[n:2]):[c:4](:[c:3])-[C:5](=[O:6])-[c:7]>>[c:1](:[n:2]):[c:4]:[c:3].[C:5](=[O:6])(-[c:7])-[N:10](-[O:9]-[C:8])-[C:11]	1	17565
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[O:6]-[C:7](=[O:8])-[C:9]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-[Cl:10].[O:6]-[C:7](=[O:8])-[C:9]	1	17570
+[c:1]:[c:2]:1-[N:3]=[C:4]-[N:5](-[C:6](-[c:7]:1:[c:8])=[O:9])-[C:14]-[O:13]-[C:11](-[C:10])=[O:12]>>[C:10]-[C:11](=[O:12])-[O:13]-[C:14]-[Cl:15].[c:1]:[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6](:[c:7]:1:[c:8])-[O:9]	1	17571
+[c:1](:[c:2]-[c:3]:1:[c:4]:[n:5](:[n:6]:[n:7]:1)-[C:9]):[n:8]>>[c:1](:[c:2]-[C:3]#[C:4]):[n:8].[N:5](=[N+:6]=[N-:7])-[C:9]	1	17575
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]-1=[C:6](-[c:7]:[c:9]:[n:8])-[C:10](=[O:11])-[N:12](-[C:13]-[C:14])-[c:15]:2:[n:16]:[c:17]:[c:18]:[n:19]:[c:20]-1:2>>[C:1]-[C:2](=[O:3])-[O:4]-[c:5]:1:[c:6](-[c:7]:[c:9]:[n:8]):[c:10](-[O:11]):[n:12]:[c:15]:2:[n:16]:[c:17]:[c:18]:[n:19]:[c:20]:1:2.[C:13](-[C:14])-[Br:21]	1	17578
+[C:1]-[C:2]-1-2-[O:3]-[C:4]-[C:5](-[C:6]-[O:7]-1)-[C:8]-[O:9]-2>>[C:4]-1-[C:5](-[C:6]-[O:7])-[C:8]-[O:10]-1.[C:1]-[C:2](=[O:3])-[O:9]	1	17585
+[N:1](-[c:2])-[c:3]:1:[c:4]:[c:5](-[C:6]):[c:7](-[O:8]):[c:9](-[C:10]):[c:11]:1>>[N:1](-[c:2])=[C:3]-1-[C:4]=[C:5](-[C:6])-[C:7](=[O:8])-[C:9](-[C:10])=[C:11]-1	1	17586
+[N:1](-[c:2])=[C:3]-1-[C:4]=[C:5](-[C:6])-[C:7]-[C:8](-[C:9])=[C:10]-1>>[C:3]-1(-[C:4]=[C:5](-[C:6])-[C:7]-[C:8](-[C:9])=[C:10]-1)=[O:11].[N:1]-[c:2]	1	17587
+[C:1]-1=[C:2]-[C:3](=[O:4])-[N:5](-[c:6](:[c:7]):[c:8])-[O:9]-1>>[C:1]-1=[C:2]-[C:3](=[O:4])-[N:5]-[O:9]-1.[c:6](:[c:7])(:[c:8])-[Cl:10]	1	17588
+[C:1]-[c:2]:1:[c:3](-[C:4]#[N:5]):[c:6]:2:[n:7]:[c:8](-[C:9]):[n:10]:[n:11]:2:[c:12](:[c:13]:1-[c:14])-[Cl:15]>>[C:1]-[C:2]=1-[C:3](-[C:4]#[N:5])=[C:6]-2-[N:7]=[C:8](-[C:9])-[N:10]-[N:11]-2-[C:12](-[C:13]=1-[c:14])=[O:20].[Cl:15]-[P:17](=[O:16])(-[Cl:18])-[Cl:19]	1	17589
+[C:1]-[C:2](=[C:3]-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2](=[C:3])-[C:7].[c:4](:[c:5])(:[c:6])-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15]	1	17593
+[C:1]-[C:2](-[O:3])-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2]=[O:3].[c:4](:[c:5])(:[c:6])-[I:7]	1	17616
+[C:1]-[C:2]-1-[S:3]-[C:4](=[O:5])-[N:6]-[C:7]-1=[O:8]>>[C:1]-[C:2](-[C:7](-[O:5]-[C:10]-[C:9])=[O:8])-[Cl:11].[S:3]=[C:4](-[N:6])-[N:12]	1	17629
+[C:1]=[C:2]-[S:3](=[O:4])(=[O:5])-[N:6]-[c:7]>>[N:6]-[c:7].[C:1](-[C:2]-[S:3](=[O:4])(=[O:5])-[Cl:9])-[Cl:8]	1	17663
+[N:1]-[c:2].[c:3]-[N:4]=[C:5](-[C:6](=[C:7](-[O:8])-[C:9])-[C:11](-[N:10])=[O:12])-[N:13]-[S:14]>>[N+:1](-[c:2])(=[O:15])-[O-:16].[c:3]-[N:4]-[C:5](-[C:6](=[C:7](-[O:8])-[C:9])-[C:11](-[N:10])=[O:12])=[N:13]-[S:14]	1	17664
+[c:1]-[N:2]-[C:3](-[C:4](=[C:5](-[O:6])-[C:7])-[C:9](-[N:8])=[O:10])=[N:11]-[S:12]>>[C:3](-[C:4](=[C:5](-[O:6])-[C:7])-[C:9](-[N:8])=[O:10])(-[O:15]-[C:14]-[C:13])=[O:16].[c:1]-[N:2].[N:11]-[S:12]	1	17669
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5])-[N:6]=[O:7]>>[N:1]-[C:2](=[O:3])-[N:4]-[C:5].[N:6](=[O:7])-[O:8]	1	17671
+[n:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[C:10](-[C:9])=[O:11]):[n:6]:[c:7]:[c:8]:1>>[n:1]:[c:2]:1:[c:3]:[c:4](:[n:6]:[c:7]:[c:8]:1)-[Cl:12].[N:5]-[C:10](-[C:9])=[O:11]	1	17674
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[O:9]-[C:8]=[C:7]):[n:6]>>[c:1]:[c:2](-[N:3]):[n:6].[C:4](=[O:5])(-[O:9]-[C:8]=[C:7])-[Cl:10]	1	17675
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]>>[N:4](-[C:5])-[C:6].[N:1]-[C:2](=[O:3])-[O:10]-[C:8](=[C:7])-[C:9]	1	17676
+[C:1]-[N:2]-[C:7](-[N:3]-[c:4]:[c:6]:[n:5])=[S:8]>>[C:1]-[N:2].[N:3](-[c:4]:[c:6]:[n:5])=[C:7]=[S:8]	1	17686
+[N:1]-[C:2](=[O:3])-[C:4]-1=[C:5]-[C:6](=[C:7]=[N-:8])-[N+:9](-[C:10]=[C:11]-1)=[O:13]>>[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6]:[n+:9](:[c:10]:[c:11]:1)-[O-:13].[C:7](#[N:8])-[C:12]	1	17693
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](-[C:7]#[N:8]):[n:9]:[c:10]:[c:11]:1>>[N:1]-[C:2](=[O:3])-[C:4]-1=[C:5]-[C:6](=[C:7]=[N-:8])-[N+:9](-[C:10]=[C:11]-1)=[O:12]	1	17705
+[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[N:6])-[N:7](-[C:8])-[C:9]-1=[O:10]>>[N:1]-[C:9](-[N:7]-[C:8])=[O:10].[C:2](=[O:3])(-[C:4]-[C:5]#[N:6])-[O:13]-[C:12]-[C:11]	1	17707
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5](=[O:6])-[N:7](-[c:8]:[c:10]:[n:9])-[C:11]-1=[S:12]>>[C:1]-[N:2]-[C:11](-[N:7]-[c:8]:[c:10]:[n:9])=[S:12].[C:3](=[O:4])(-[C:5](=[O:6])-[Cl:16])-[O:15]-[C:14]-[C:13]	1	17710
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]#[C:7]-[C:8]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[Br:9].[C:6]#[C:7]-[C:8]	1	17714
+[c:1]:[c:2](-[C:3]-[C:4]):[n:5]:[c:6]:[c:7]>>[C:3](-[C:4])-[Mg:9]-[Cl:8].[c:1]:[c:2](:[n:5]:[c:6]:[c:7])-[Cl:10]	1	17724
+[n:1]:[c:2](-[C:3]-1(-[N:4])-[C:5]-[C:6]-1):[c:7]:[s:8]>>[n:1]:[c:2](-[C:3]#[N:4]):[c:7]:[s:8].[C:5](-[C:6])-[Mg+:9]	1	17737
+[C:1]-[N:2]-[C:3]-1=[C:4](-[C:5](=[O:6])-[C:7]-1=[O:8])-[O:9]>>[C:1]-[N:2].[C:3]-1(=[C:4](-[C:5](=[O:6])-[C:7]-1=[O:8])-[O:9])-[O:12]-[C:11]-[C:10]	1	17760
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8])-[Br:10]	1	17772
+[N:1](-[C:2]=[O:3])-[C:5](=[N:4])-[N:6]-[C:7]>>[N:6]-[C:7].[N:1](-[C:2]=[O:3])-[C:5](=[N:4])-[Cl:8]	1	17774
+[O:1]-[C:2]-[C:3](=[C:4](-[C:5])-[Cl:9])-[C:7](-[N:6])=[O:8]>>[C:2](-[C:3](=[C:4](-[C:5])-[Cl:9])-[C:7](-[N:6])=[O:8])-[Br:10].[O:1]	1	17796
+[c:1]-[C:2]-[O:3]-[C:4](=[C:5](-[Cl:6])-[C:7])-[C:8]>>[O:3]-[C:4](=[C:5](-[Cl:6])-[C:7])-[C:8].[c:1]-[C:2]-[O:9]	1	17797
+[C:1]-[N:2]-[C:3]-[C:4]-[C:5]-[O:6]-[c:7]>>[C:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-1.[O:6]-[c:7]	1	17802
+[C:1]-[C:2]-1=[C:3](-[S:4]-[C:5])-[C:6]=[N:7]-[N:8]-[C:9]-1=[O:10]>>[S:4]-[C:5].[C:1]-[C:2]-1=[C:3](-[C:6]=[N:7]-[N:8]-[C:9]-1=[O:10])-[Cl:11]	1	17809
+[C:1]-[C:2]-[C:3]-[B:4](-[O:5])-[O:6]>>[B:4](-[O:5])-[O:6].[C:1]-[C:2]=[C:3]	1	17816
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:9].[c:3]:1(:[c:4]:[c:5]:[c:6]:[n:7]:1)-[B:14]-2-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-2)(-[C:17])-[C:18]	1	17842
+[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](-[c:6]):[n:7]:[n:8]:1-[C:9]>>[N:7]-[N:8]-[C:9].[C:1]-[C:2](-[C:3](-[C:4])-[C:5](-[c:6])=[O:11])=[O:10]	1	17851
+[C:1]-[N:2](-[N:3]-[C:4]=[O:5])-[C:6](=[O:7])-[c:8]>>[C:1]-[N:2]-[N:3]-[C:4]=[O:5].[C:6](=[O:7])(-[c:8])-[Cl:9]	1	17853
+[O:1]-[C:2](=[O:3])-[N:4]-[S:5]>>[O:1]-[C:2](=[O:3])-[Cl:10].[N:4](-[S:5])-[C:7](-[C:6])(-[C:8])-[C:9]	1	17862
+[C:1]-1=[N:2]-[N:3]-[C:4](=[O:5])-[N:6]-1-[C:7]-[c:8]>>[C:7](-[c:8])-[Br:9].[C:1]-1=[N:2]-[N:3]-[C:4](=[O:5])-[N:6]-1	1	17870
+[c:1](:[c:2]-[O:3]):[n:6].[C:4]-[O:5]>>[c:1](:[c:2]-[O:3]-[C:8](-[O:5]-[C:4])(-[C:7])-[C:9]):[n:6]	1	17873
+[n:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:1>>[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12].[n:1]:1:[c:2]:[n:3]:[c:4](:[c:8]:1)-[I:9]	1	17876
+[c:1](:[n:2]):[c:3]-[c:4]:1:[n:5]:[c:6]:2:[c:7](:[c:8]:[c:9]:[n:10]:[c:11]:2):[n:12]:1-[c:13]>>[c:1](:[n:2]):[c:3]-[C:4](-[N:5]-[c:6]:1:[c:7](:[c:8]:[c:9]:[n:10]:[c:11]:1)-[N:12]-[c:13])=[O:14]	1	17916
+[c:1]:[c:2](-[N:3]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]):[c:4]>>[C:5]-[C:6](-[C:7])(-[C:8])-[O:12].[c:1]:[c:2](:[c:4])-[C:10](-[O:9])=[O:11].[N:3](=[N+:14]=[N-:13])-[P:15](=[O:16])(-[O:17]-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1)-[O:24]-[c:25]:2:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:2	1	17923
+[N:1]-[O:2]-[C:3]-[C:4](-[C:5])(-[C:6])-[O:7]>>[C:3]-[C:4](-[C:5])(-[C:6])-[O:7].[N:1]-[O:2]	1	17928
+[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5]-[C:23](-[O:22]-[C:19](-[C:18])(-[C:20])-[C:21])=[O:24]):[s:6]:1>>[C:18]-[C:19](-[C:20])(-[C:21])-[O:22].[c:1]:1:[n:2]:[c:3]:[c:4](:[s:6]:1)-[C:23](=[O:24])-[O:25].[N:5](=[N+:27]=[N-:26])-[P:28](-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)(=[O:29])-[c:30]:2:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:2	1	17934
+[c:1]-[C:2](-[C:3]-[O:4])-[O:5]>>[O:4]-[C:7](-[C:6])(-[C:8])-[C:9].[O:5].[c:1]-[C:2]=[C:3]	1	17942
+[N:1](-[c:2]:1:[c:3]:[c:4]:[n:5]:[c:6]:[c:7]:1)-[C:26](-[O:25]-[C:22](-[C:21])(-[C:23])-[C:24])=[O:27]>>[C:21]-[C:22](-[C:23])(-[C:24])-[O:25].[c:2]:1(:[c:3]:[c:4]:[n:5]:[c:6]:[c:7]:1)-[C:26](=[O:27])-[O:28].[N:1](=[N+:30]=[N-:29])-[P:31](=[O:8])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2	1	17953
+[n:1]:[c:3]:1:[c:2]:[c:8]:[n:7]:[c:5](:[c:4]:1)-[N:6]-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]>>[C:9]-[C:10](-[C:11])(-[C:12])-[O:13].[n:1]:[c:3]:1:[c:2]:[c:8]:[n:7]:[c:5](:[c:4]:1)-[C:14](=[O:15])-[O:20].[N:6](=[N+:22]=[N-:21])-[P:23](=[O:24])(-[c:25]:1:[c:26]:[c:27]:[c:28]:[c:29]:[c:30]:1)-[c:31]:2:[c:19]:[c:18]:[c:17]:[c:16]:[c:32]:2	1	17958
+[c:1]:[c:2](:[n:3]:[c:4](-[N:5]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]):[c:13]):[c:14]>>[O:8]-[C:9](-[C:10])(-[C:11])-[C:12].[c:1]:[c:2](:[n:3]:[c:4](-[C:6](=[O:7])-[O:30]):[c:13]):[c:14].[N:5](=[N+:15]=[N-:31])-[P:16](=[O:17])(-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1)-[c:24]:2:[c:25]:[c:26]:[c:27]:[c:28]:[c:29]:2	1	17963
+[N:1](-[c:2](:[c:3]):[c:4])-[C:23](-[O:22]-[C:19](-[C:18])(-[C:20])-[C:21])=[O:24]>>[C:18]-[C:19](-[C:20])(-[C:21])-[O:25].[c:2](:[c:3])(:[c:4])-[C:23](-[O:22])=[O:24].[N:1](=[N+:27]=[N-:26])-[P:28](=[O:5])(-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2	1	17969
+[C:1]-1-[C:2]-[C:3]-1-[N:4]-[C:5](=[O:6])-[O:7]-[C:8](-[C:9])(-[C:10])-[C:11]>>[O:7]-[C:8](-[C:9])(-[C:10])-[C:11].[C:1]-1-[C:2]-[C:3]-1-[C:5](=[O:6])-[O:22].[N:4](=[N+:24]=[N-:23])-[P:25](-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)(=[O:26])-[c:27]:2:[c:15]:[c:14]:[c:13]:[c:12]:[c:28]:2	1	17980
+[O:1]=[C:2](-[c:3](:[c:4]):[s:5])-[O:6]>>[O:6]-[C:8](-[C:7])(-[C:9])-[C:10].[O:1]=[C:2]-[c:3](:[c:4]):[s:5]	1	17989
+[c:1]:[c:2](-[O:3]):[n:4]:[c:5]:[c:6]>>[O:3]-[C:9](-[C:8])(-[C:10])-[C:11].[c:1]:[c:2](:[n:4]:[c:5]:[c:6])-[Cl:7]	1	17992
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[C:8]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:10](=[N:9])-[C:11](-[Cl:12])(-[Cl:13])-[Cl:14].[C:6](=[O:7])(-[C:8])-[O:15]	1	17993
+[C:1](-[C:2](=[O:3])-[O:11])-[N:4](-[C:5])-[C:9](-[c:6]:[c:7]:[n:8])=[O:10]>>[C:1](-[C:2](=[O:3])-[O:11])-[N:4]-[C:5].[c:6](:[c:7]:[n:8])-[C:9](=[O:10])-[O:12]	1	17999
+[C:1]-[C:2]-[N:3]-1-[C:4]=[C:5]-[C:6]-[N:7]-[C:8]-1=[O:9]>>[C:1]-[C:2]-[O:14]-[S:11](-[C:10])(=[O:12])=[O:13].[N:3]-1-[C:4]=[C:5]-[C:6]-[N:7]-[C:8]-1=[O:9]	1	18001
+[C:1](-[N:2]-[C:3](-[C:4])-[c:5])-[C:6](=[O:7])-[O:8]>>[C:1](-[N:2])-[C:6](=[O:7])-[O:8].[C:3](-[C:4])(-[c:5])=[O:9]	1	18026
+[O:1]=[C:2](-[C:3])-[N:4]-[C:5](=[N:6]-[C:7])-[N:8]>>[O:1]=[C:2](-[C:3])-[O:11]-[C:10]-[C:9].[N:4]=[C:5](-[N:6]-[C:7])-[N:8]	1	18041
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1:2>>[C:1]-[C:2](-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14])=[O:16].[N:3]-[N:4]-[c:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:[n:10]:1	1	18056
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5]-[C:6]=[C:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[C:5]-[C:6]=[C:7])-[O:8]	1	18063
+[O:1]-[C:2](=[O:3])-[C:4]-1(-[C:5]-[c:6])-[C:7]-[C:8]-1>>[O:1]-[C:2](=[O:3])-[C:4]-1-[C:7]-[C:8]-1.[C:5](-[c:6])-[Br:9]	1	18070
+[C:1]-[C:2]-[N:3](-[C:4])-[C:6](-[N:5])=[O:7]>>[N:3](-[C:4])-[C:6](-[N:5])=[O:7].[C:1]-[C:2]-[I:8]	1	18075
+[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5](-[Si:6](-[C:7])(-[C:8])-[C:9]):[n:10]:1-[C:11]-[C:12](=[O:13])-[O:14]>>[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5](-[Si:6](-[C:7])(-[C:8])-[C:9]):[n:10]:1.[C:11](-[C:12](=[O:13])-[O:14])-[Br:15]	1	18114
+[O:1]=[C:2](-[C:3]-[N:4]-1-[C:5](=[O:6])-[C:7]=[C:8](-[c:9])-[C:10]-2=[C:11]-1-[C:12]-[C:13]-[C:14]-2=[O:15])-[O:16]>>[O:1]=[C:2](-[C:3]-[Br:17])-[O:16].[n:4]:1:[c:5](-[O:6]):[c:7]:[c:8](-[c:9]):[c:10]-2:[c:11]:1-[C:12]-[C:13]-[C:14]-2=[O:15]	1	18117
+[c:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6](-[C:7]-[C:8](=[O:9])-[O:10])-[C:11]=[C:12]-1-[Cl:13]>>[C:7](-[C:8](=[O:9])-[O:10])-[Br:14].[c:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[n:6]:[c:11]:[c:12]:1-[Cl:13]	1	18119
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])-[C:7](=[O:8])-[N:9]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:10].[C:5](-[C:6])-[C:7](=[O:8])-[N:9]	1	18126
+[c:1](:[c:2]-[O:3]-[C:4]-[C:5](=[O:6])-[O:7]):[s:8]>>[C:4](-[C:5](=[O:6])-[O:7])-[Br:9].[c:1](:[c:2]-[O:3]):[s:8]	1	18138
+[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-1-[C:6]=[C:7](-[C:8](=[O:9])-[O:10])-[C:11](-[N:12])=[C:13]-[C:14]-1=[O:15]>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:16].[n:5]:1:[c:6]:[c:7](-[C:8](=[O:9])-[O:10]):[c:11](-[N:12]):[c:13]:[c:14]:1-[O:15]	1	18147
+[C:1]-[N:2](-[C:3]-[C:4](=[O:5])-[O:6])-[C:7]-[C:8](=[O:9])-[O:10]>>[C:7](-[C:8](=[O:9])-[O:10])-[Br:11].[C:1]-[N:2]-[C:3]-[C:4](=[O:5])-[O:6]	1	18151
+[C:1]-[C:2](-[C:10]-[C:3](-[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[O:9])=[O:12])=[O:11]>>[C:1]-[C:2](-[C:10]-[C:3](=[O:12])-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:11].[N:4](-[C:5])-[C:6]-[C:7](=[O:8])-[O:9]	1	18170
+[C:1]-[C:2](-[O:7]-[N:6]=[C:4](-[N:3])-[C:5](=[O:8])-[O:9])=[O:10]>>[C:1]-[C:2](=[O:10])-[O:11].[N:3]=[C:4](-[C:5](=[O:8])-[O:9])-[N:6]-[O:7]	1	18181
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5](=[O:8])-[O:9]):[n:6]:[o:7]:1>>[C:1]-[C:2](-[O:7]-[N:6]=[C:4](-[N:3])-[C:5](=[O:8])-[O:9])=[O:10]	1	18185
+[c:1]:1:[c:2](-[C:3]-2-[C:4]-[C:5]-2):[c:6]:[n:7]:[o:8]:1>>[C:3]-1(-[C:4]-[C:5]-1)-[B:18]-2-[O:9]-[C:10](-[C:11])(-[C:12])-[C:15](-[C:14])(-[C:16])-[O:17]-2.[c:1]:1:[c:2](:[c:6]:[n:7]:[o:8]:1)-[I:13]	1	18201
+[c:1]-[C:2]-1=[N:3]-[c:4]:[c:5]-[N:6]-[C:7](=[O:8])-[C:9]-1>>[c:1]-[C:2](-[C:9]-[C:7](=[O:8])-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:15].[N:3]-[c:4]:[c:5]-[N:6]	1	18202
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5](-[C:6])-[c:7]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17].[N:5](-[C:6])-[c:7]	1	18209
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:1]-[N:2]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7].[C:3](-[N:9])=[N:10]	1	18211
+[C:1]-[C:2]-[C:3]-[C:4]#[N:5]>>[C:1]-[C:2]=[C:3]-[C:4]#[N:5]	1	18216
+[C:1]-[C:2]=[C:3]-[C:4]#[N:5]>>[C:1]-[C:2]=[O:14].[C:3](-[C:4]#[N:5])-[P:9](-[O:8]-[C:7]-[C:6])(=[O:10])-[O:11]-[C:12]-[C:13]	1	18219
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[c:8]:[n:9]:2):[c:10](-[O:11]):[n:12]:1>>[C:1]-[C:2](-[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[c:8]:[n:9]:1)-[C:10](=[O:11])-[N:12])=[O:13]	1	18224
+[C:1](-[N:2]-[C:3](=[O:4])-[C:5]=[N:6])-[C:7](=[O:8])-[O:9]>>[C:1](-[N:2])-[C:7](=[O:8])-[O:9].[C:3](=[O:4])(-[C:5]=[N:6])-[O:10]	1	18227
+[C:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[c:6]:[c:8]:[n:7]):[o:9]:1>>[C:1]-[C:2](-[N:3]-[C:4]-[C:5](-[c:6]:[c:8]:[n:7])=[O:10])=[O:9]	1	18241
+[C:1]-[C:2](-[C:3])-[N:4]-[C:5](=[O:6])-[O:7]-[C:8]>>[C:1]-[C:2](-[C:3])-[C:5](=[O:6])-[O:9].[O:7]-[C:8].[N:4](=[N+:11]=[N-:10])-[P:12](=[O:13])(-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1)-[c:20]:2:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:2	1	18271
+[c:1]:[c:2](-[C:3]-1=[N:4]-[C:5](=[O:6])-[c:7]:[c:8]-[S:9]-1):[n:10]>>[c:1]:[c:2](-[C:3]#[N:4]):[n:10].[C:5](-[O:6])(-[c:7]:[c:8]-[S:9])=[O:11]	1	18277
+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]-[C:6](=[C:7]-[C:8])-[C:10](-[N:9])=[O:11]>>[N:5]-[C:6](=[C:7]-[C:8])-[C:10](-[N:9])=[O:11].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:12]	1	18295
+[N:1]-[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6]=[O:7]):[s:8]:1>>[N:1]-[C:2](-[N:3])=[S:8].[C:4](-[C:5](-[C:6]=[O:7])-[Br:10])=[O:9]	1	18308
+[N:1]-[C:2]>>[N:1]-[C:2]-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]	1	18311
+[n:1]:[c:2](-[N:3](-[C:4])-[C:5]-[C:6]):[n:7]>>[C:5](-[C:6])-[Br:8].[n:1]:[c:2](-[N:3]-[C:4]):[n:7]	1	18314
+[c:1]-[C:2](-[C:3])-[O:4]>>[c:1]-[C:2]=[O:4].[C:3]-[Mg:6]-[Cl:5]	1	18319
+[C:1]-[C:2](=[O:3])-[O:5]-[C:4]>>[C:4]-[O:5].[C:1]-[C:2](=[O:3])-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9]	1	18336
+[N:1]-[c:2]>>[N:1](-[c:2])(-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9])-[C:10](=[O:11])-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16]	1	18386
+[N:1]-[c:2](:[n:3]):[c:4]>>[N:1](-[c:2](:[n:3]):[c:4])(-[C:5](=[O:6])-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]	1	18388
+[n:1]:[c:2]:[c:3](-[N:4]):[n:5]>>[n:1]:[c:2]:[c:3](-[N:4](-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12])-[C:13](=[O:14])-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19]):[n:5]	1	18389
+[c:1]:[c:2](-[N:3]):[n:4]>>[c:1]:[c:2](-[N:3](-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11])-[C:12](=[O:13])-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18]):[n:4]	1	18393
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5]:2:[c:6]:[c:7]:[c:8]:[s:9]:2):[n:10](:[n:11]):[c:12]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[n:10](:[n:11]):[c:12]:1)-[Br:13].[c:5]:1(:[c:6]:[c:7]:[c:8]:[s:9]:1)-[B:15](-[O:14])-[O:16]	1	18410
+[C:1]-[N:2]-[c:3]:[c:6](:[n:4]):[n:5]>>[C:1]-[N:2](-[c:3]:[c:6](:[n:4]):[n:5])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	1	18432
+[C:1]-[N:2]-[c:3]>>[C:1]-[O:4].[N:2]-[c:3]	1	18452
+[c:1]:1:[c:2]:[c:3](-[O:4]-[c:5]):[n:6]:[c:7](:[c:8]):[n:9]:1>>[c:1]:1:[c:2]:[c:3](:[n:6]:[c:7](:[c:8]):[n:9]:1)-[Cl:10].[O:4]-[c:5]	1	18474
+[C:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[c:6](:[c:7](:[o:8]:1):[c:9]):[c:10]>>[C:1]-[C:2]-[O:11].[S:3]=[C:4]-1-[N:5]-[c:6](:[c:7](-[O:8]-1):[c:9]):[c:10]	1	18481
+[C:1]-[C:2]-[C:3](-[C:4]#[N:5])(-[c:6](:[n:7]):[c:8])-[C:9]-[C:10]>>[C:1]-[C:2]-[Cl:11].[C:9](-[C:10])-[Cl:12].[C:3](-[C:4]#[N:5])-[c:6](:[n:7]):[c:8]	1	18487
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]>>[C:1]-[N:2](-[C:3])-[C:10](=[O:11])-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16].[C:4](=[O:5])(-[C:6])-[O:9]-[C:8]-[C:7]	1	18500
+[S:1]-[N:2]-[c:3](:[c:4]:[s:5]):[n:6]>>[S:1]-[N:2](-[c:3](:[c:4]:[s:5]):[n:6])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]	1	18532
+[C:1]-[C:2]-[N:3]-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10]>>[C:1]-[C:2](-[N:3]-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])=[O:11]	1	18539
+[c:1]-[N:4]-[C:3](-[N:2])=[O:5]>>[c:1]-[N:4](-[C:3](-[N:2])=[O:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	1	18540
+[O:1]=[C:2]-[N:3]-[C:4]>>[O:1]=[C:2]-[N:3](-[C:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]	1	18541
+[N:1]-[O:2]-[C:3](=[O:4])-[c:5]>>[N:1]-[O:2].[C:3](=[O:4])(-[c:5])-[Cl:6]	1	18567
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[o:10]:1>>[C:1]-[C:2](-[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[O:10])=[O:11]	1	18606
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6](=[C:7]-[C:8])-[C:9]):[c:10]:1>>[C:5](-[C:6](=[C:7]-[C:8])-[C:9])#[C:10].[C:1]-[C:2]=[N:3]-[O:4]	1	18643
+[c:1]:1:[n:2]:[c:3]:[n:4]:[n:5]:1-[C:6]-[C:7]>>[C:6](-[C:7])-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11].[c:1]:1:[n:2]:[c:3]:[n:4]:[n:5]:1	1	18653
+[N:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[N:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	1	18656
+[S:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]:[n:7]:1)-[C:8])-[C:9]>>[C:4](-[C:5](=[C:6]-[N:11](-[C:10])-[C:12])-[C:8])(-[C:9])=[O:13].[S:1]-[C:2](=[N:3])-[N:7]	1	18666
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[n:8]>>[N:5](-[C:6])-[C:7].[n:1]:[c:2](-[C:3](-[Cl:9])(-[Cl:10])-[Cl:11]):[n:8].[O:4]=[C:13](-[O:12])-[O:14]	1	18671
+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[C:7]):[n:8]>>[N:5](-[C:6])-[C:7].[n:1]:[c:2](-[C:3](-[Cl:9])(-[Cl:10])-[Cl:11]):[n:8].[O:4]	1	18672
+[C:1]-[C:3](-[C:2])=[O:4]>>[C:1]-[C:3](-[C:2])(-[O:4]-[C:7])-[O:6]-[C:5]	1	18694
+[C:1]-[N:3](-[C:2])-[c:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1:[n:10]>>[C:1]-[N:3]-[C:2].[c:4]:1(:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1:[n:10])-[O:11]	1	18716
+[N:1]-[C:3](=[O:2])-[C:4](-[F:5])(-[F:6])-[F:7]>>[N:1]-[C:3](=[O:2])-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11].[C:4](-[F:5])(-[F:6])(-[F:7])-[C:14](=[O:13])-[O:15]	1	18726
+[C:1]-[C:2]=1-[N:3]-[O:4]-[C:5](=[O:6])-[N:7]=1>>[C:1]-[C:2]#[N:7].[N:3]-[O:4].[C:5](=[O:6])(-[O:8])-[O:9]	1	18741
+[N:1](-[C:2])-[C:5](-[C:4]=[C:3])-[C:6](-[N:7])=[O:8]>>[N:1](-[C:2])(-[C:5](-[C:4]=[C:3])-[C:6](-[N:7])=[O:8])-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]	1	18824
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[c:9](:[s:8]):[c:10]:2:[n:11]:1-[C:12]>>[c:4]:1(:[c:5]:[n:6]:[c:7]:[c:9](:[s:8]):[c:10]:1-[N:11]-[C:12])-[N:13].[C:1]-[C:2](-[N:3])=[O:14]	1	18837
+[n:1]:[c:2](-[C:3]-1=[N:4]-[O:5]-[C:6](-[c:7])(-[C:8](-[F:9])(-[F:10])-[F:11])-[C:12]-1):[c:13]>>[n:1]:[c:2](-[C:3]=[N:4]-[O:5]):[c:13].[C:6](-[c:7])(-[C:8](-[F:9])(-[F:10])-[F:11])=[C:12]	1	18866
+[C:1]-[N:3](-[C:2])-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[n:11]:1:[c:10]:[c:9]>>[C:1]-[N:3]-[C:2].[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:11]:1:[c:10]:[c:9])-[Cl:12]	1	18894
+[C:1]-[C:2](=[C:3])-[C:4]>>[C:1]-[C:2](-[C:4])=[O:22].[C:3]-[P+:7](-[c:6]:1:[c:5]:[c:24]:[c:23]:[c:21]:[c:20]:1)(-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3	1	18928
+[C:1]-[C:2]-1-[C:3]-[O:4]-1>>[C:1]-[C:2]=[C:3].[O:4]-[O:5]	1	18944
+[N:1]-[C:2](-[C:3])(-[C:4])-[C:5]>>[C:2](-[C:3])(-[C:4])(-[C:5])-[C:19](=[O:18])-[O:20].[N:1](=[N+:22]=[N-:21])-[P:23](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)=[O:24]	1	18953
+[N:1]-[C:2](-[N:3])=[S:4]>>[N:1]-[C:2](-[N:3]-[C:6](=[O:5])-[O:7]-[C:8]-[C:9]-1-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2-[c:16]:3:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]-1:3)=[S:4]	1	18986
+[c:1]-[C:2]-[N:3](-[C:4])-[C:5]-[C:6](-[N:7])=[O:8]>>[N:3](-[C:4])-[C:5]-[C:6](-[N:7])=[O:8].[c:1]-[C:2]-[Cl:9]	1	18991
+[c:1]:[c:2](-[c:3]:1:[c:4]:[s:5]:[c:6]:[n:7]:1):[c:8]>>[c:3]:1(:[c:4]:[s:5]:[c:6]:[n:7]:1)-[Br:9].[c:1]:[c:2](:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	1	19001
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[C:5](-[C:6](=[O:7])-[O:8])=[N:9]-[O:10]-1>>[C:1]-[C:2](-[C:3])=[C:4].[C:5](-[C:6](=[O:7])-[O:8])(=[N:9]-[O:10])-[Cl:11]	1	19002
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[C:5](-[C:6])=[N:7]-[O:8]-1>>[C:1]-[C:2](-[C:3])=[C:4].[C:5](-[C:6])(=[N:7]-[O:8])-[Cl:9]	1	19003
+[c:1]-[C:2](=[C:3](-[C:4])-[C:5])-[c:6](:[c:7]):[c:8]>>[c:1]-[C:2](=[C:3](-[C:4])-[C:5])-[Br:9].[c:6](:[c:7])(:[c:8])-[B:11](-[O:10])-[O:12]	1	19004
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[C:5]-1-[C:6](=[O:7])-[O:8]>>[C:4]-[S+:11](=[O:9])(-[C:10])-[C:12].[C:1]-[C:2](-[C:3])=[C:5]-[C:6](=[O:7])-[O:8]	1	19006
+[C:1]-[C:2](-[C:3])-[O:4]-[c:5]:[c:6]:[n:7]>>[C:1]-[C:2](-[C:3])-[I:8].[O:4]-[c:5]:[c:6]:[n:7]	1	19009
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:[s:7]:1>>[C:1]-[C:2](-[N:3])=[S:7].[C:4](-[C:5])(-[C:6]-[Cl:9])=[O:8]	1	19016
+[C:1]-[S:2]-[c:3](:[c:4]:[n:5]):[c:6]>>[C:1]-[S:2]-[S:9]-[C:8].[c:3](:[c:4]:[n:5])(:[c:6])-[Br:7]	1	19027
+[c:1]:[c:2](-[c:3](:[c:4]):[c:9]:1:[c:5]:[n:6]:[n:7]:[c:8]:1):[c:10]>>[c:3](:[c:4])(:[c:9]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)-[Br:11].[c:1]:[c:2](:[c:10])-[B:13](-[O:12])-[O:14]	1	19030
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[O:2]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:15]:[c:14]:1)(=[O:12])=[O:13].[C:3](=[O:4])(-[C:5])-[O:16]	1	19093
+[N:1]-[C:2](-[C:3]-1-[C:4]-[C:5]-[N:6]-[C:7]-1)=[O:8]>>[N:1]-[C:2](-[C:3]=[C:4])=[O:8].[C:5](-[N:6]-[C:7]-[Si:13](-[C:9])(-[C:10])-[C:14])-[O:12]-[C:11]	1	19116
+[o:1]:[c:2](-[C:3]-[N:4](-[C:5](=[O:6])-[N:7])-[c:9]:[c:8]:[s:10]):[n:11]>>[o:1]:[c:2](-[C:3]-[Cl:12]):[n:11].[N:4](-[C:5](=[O:6])-[N:7])-[c:9]:[c:8]:[s:10]	1	19119
+[N:1]-1-[C:2](=[O:3])-[N:4](-[C:5])-[C:6](=[O:7])-[c:8](:[c:9]-1):[s:10]>>[N:1](-[C:2](=[O:3])-[N:4]-[C:5])-[c:9]:[c:8](-[C:6](=[O:7])-[O:12]-[C:11]):[s:10]	1	19133
+[C:1]-[n:2]:1:[n:3]:[c:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[n:9]:[c:10]:1:2>>[C:1]-[N:2]-[N:3].[C:4](-[c:5]:1:[c:6]:[n:7]:[c:8]:[n:9]:[c:10]:1-[Cl:12])=[O:11]	1	19143
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[n:7]:[c:8]:[c:9]):[c:10]):[c:11]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:11]:1)-[I:12].[c:6](:[n:7]:[c:8]:[c:9])(:[c:10])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21]	1	19157
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:7](-[C:8])-[C:9]>>[C:7](-[C:8])(-[C:9])-[O:10].[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1	1	19163
+[O:1]=[C:2](-[N:3]-[c:4](:[c:5]):[c:6])-[O:7]-[C:8]>>[O:7]-[C:8].[O:1]=[C:2](-[c:4](:[c:5]):[c:6])-[O:9].[N:3](=[N+:11]=[N-:10])-[P:12](=[O:13])(-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1)-[c:20]:2:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:2	1	19177
+[c:1](:[c:2](-[O:3]-[C:4]):[c:5]:[c:6]:[n:8]):[n:7]>>[O:3]-[C:4].[c:1](:[c:2](:[c:5]:[c:6]:[n:8])-[O:9]):[n:7]	1	19191
+[C:1]-[C:2](-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1)-[C:8]>>[C:1]-[C:2](-[C:8])-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1	1	19204
+[N:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[C:6](=[C:7]-[c:8])-[S:9]-1>>[C:7](-[c:8])=[O:10].[N:1]-[C:2]-1=[N:3]-[C:4](=[O:5])-[C:6]-[S:9]-1	1	19218
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](-[N:6](-[C:7])-[c:10]:[c:8]:[n:9]):[c:11]:1>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5](:[c:11]:1)-[Cl:12].[N:6](-[C:7])-[c:10]:[c:8]:[n:9]	1	19249
+[c:1]:1:[n:2]:[c:3](-[C:4]-2-[C:5]-[C:6]-2):[n:7]:[c:8]:[c:9]:1>>[c:1]:1:[n:2]:[c:3](:[n:7]:[c:8]:[c:9]:1)-[Cl:10].[C:4]-1(-[C:5]-[C:6]-1)-[B:12](-[O:11])-[O:13]	1	19274
+[n:1]:[c:2](-[C:3]-[n:4]:1:[c:5]:[c:6]:[c:7]:[c:9]:1:[c:8]):[c:10]>>[n:1]:[c:2](-[C:3]-[O:11]):[c:10].[n:4]:1:[c:5]:[c:6]:[c:7]:[c:9]:1:[c:8]	1	19277
+[C:1]=[C:2](-[C:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[Br:7].[C:1]=[C:2](-[C:3])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16]	1	19280
+[n:1]:[c:2](-[C:3]-[O:4]-[C:5]):[o:6]>>[n:1]:[c:2](-[C:3]-[Cl:7]):[o:6].[O:4]-[C:5]	1	19315
+[c:1](:[n:2]):[c:3]-[O:4]-[c:5]:1:[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2:[n:11]:[c:12]:[n:13]:1>>[c:5]:1(:[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2:[n:11]:[c:12]:[n:13]:1)-[Cl:14].[c:1](:[n:2]):[c:3]-[O:4]	1	19349
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](-[O:6]-[c:7]):[n:8]:[c:9]:[n:10]:[c:11]:1:2>>[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](:[n:8]:[c:9]:[n:10]:[c:11]:1:2)-[Cl:12].[O:6]-[c:7]	1	19350
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5])-[C:6]>>[C:1]-[N:2](-[C:6])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13].[C:3](=[O:4])(-[O:5])-[Cl:14]	1	19362
+[N:1]#[C:2]-[N:3]>>[C:2](-[N:3])(-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:11].[N:1]#[C:5]-[Br:4]	1	19367
+[C:1]=1-[N:2]-[N:3]-[C:4](=[O:5])-[N:6]=1>>[C:1](-[N:2]-[N:3])=[N:6].[C:4](=[O:5])(-[n:9]:1:[c:8]:[c:7]:[n:16]:[c:15]:1)-[n:10]:2:[c:11]:[c:12]:[n:13]:[c:14]:2	1	19372
+[n:1]:[c:2](-[C:3](-[N:4]-[N:5])=[N:6]):[c:7]>>[n:1]:[c:2](-[C:3]#[N:6]):[c:7].[N:4]-[N:5]	1	19373
+[C:1](-[C:2])(-[c:3])=[O:4]>>[C:1](-[C:2])-[c:3].[O:4]=[Mn:6](=[O:5])(=[O:7])-[O:8]	1	19393
+[C:1]-[C:2](-[C:3])=[C:4]>>[C:1]-[C:2](-[C:3])=[O:14].[C:4]-[P+:19](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:18]:2:[c:12]:[c:13]:[c:15]:[c:16]:[c:17]:2)-[c:20]:3:[c:5]:[c:24]:[c:23]:[c:22]:[c:21]:3	1	19414
+[c:1]:1:[n:2]:[c:3](-[O:4]-[C:5]):[c:6]:[c:8](:[n:7]):[c:9]:1>>[O:4]-[C:5].[c:1]:1:[n:2]:[c:3](:[c:6]:[c:8](:[n:7]):[c:9]:1)-[Cl:10]	1	19427
+[c:1]:1:[n:2]:[n:3]:[c:4](-[c:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:2):[c:11]:1>>[c:1]:1:[n:2]:[n:3]:[c:4](:[c:11]:1)-[Br:12].[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[B:14](-[O:13])-[O:15]	1	19434
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[c:7]:1>>[C:1]-[C:2](=[N:3]-[O:4])-[Cl:8].[C:5](-[c:6])#[C:7]	1	19451
+[C:1]=[C:2](-[c:3]:1:[c:4]:[n:5]:2:[c:6]:[c:7]:[s:8]:[c:9]:2:[n:10]:1)-[C:11](=[O:12])-[O:13]>>[C:1]=[C:2](-[C:3](-[C:4]-[Br:15])=[O:14])-[C:11](=[O:12])-[O:13].[n:5]:1:[c:6]:[c:7]:[s:8]:[c:9]:1-[N:10]	1	19459
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5](-[O:6]-[c:7]):[n:8]:1>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5](:[n:8]:1)-[Cl:9].[O:6]-[c:7]	1	19482
+[C:1]-[C:2](-[c:3](:[c:4]):[c:5])=[C:6](-[C:7])-[C:8]>>[C:1]-[C:2](=[C:6](-[C:7])-[C:8])-[Br:9].[c:3](:[c:4])(:[c:5])-[B:11](-[O:10])-[O:12]	1	19503
+[Cl:1]-[C:2](-[Cl:3])=[C:4]-[C:5]-[O:6]-[c:7]>>[O:6]-[c:7].[Cl:1]-[C:2](-[Cl:3])(-[C:4]-[C:5]-[Cl:8])-[Cl:9]	1	19532
+[C:1]-[S:2](=[O:3])(=[O:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])(-[C:7])-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14].[C:1]-[S:2](=[O:3])(=[O:4])-[Cl:15]	1	19558
+[N:1]-[C:2]-1=[N:3]-[c:4](:[c:5]):[c:7](:[c:6])-[N:8](-[C:9]-[C:10])-[C:11]-1=[O:12]>>[N:1]-[c:2]:1:[n:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:[c:11]:1-[O:12].[C:9](-[C:10])-[O:17]-[S:14](-[C:13])(=[O:15])=[O:16]	1	19577
+[c:1](:[c:2]):[n:10]:[c:4](:[c:3])-[C:5](=[O:6])-[c:7]:[c:8]:[n:9]>>[c:1](:[c:2]):[n:10]:[c:4]:[c:3].[C:5](=[O:6])(-[c:7]:[c:8]:[n:9])-[N:12](-[O:11]-[C:14])-[C:13]	1	19579
+[C:1]-[C:2]-[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]>>[C:1]-[C:2]-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12].[n:3]:1:[n:4]:[c:5]:[c:6]:[c:8]:1:[c:7]	1	19588
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:7]-[C:8]>>[C:7](-[C:8])-[O:12]-[S:9](=[O:10])(=[O:11])-[C:13].[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	1	19610
+[C:1]-[N:2](-[C:3]-[C:4])-[C:5]>>[C:1]-[N:2]-[C:5].[C:3](-[C:4])-[C:10]-[S:7](=[O:6])(=[O:8])-[O:9]	1	19615
+[C:1]-[C:2](=[C:3](-[C:4]-[N:5](-[C:6])-[C:7])-[C:8])-[Br:9]>>[C:1]-[C:2](=[C:3](-[C:4]=[O:10])-[C:8])-[Br:9].[N:5](-[C:6])-[C:7]	1	19617
+[C:1]-[C:2](-[C:3]#[C:4])-[N:5](-[C:6])-[C:7]>>[C:1]-[C:2]=[O:8].[N:5](-[C:6])-[C:7].[C:3]#[C:4]	1	19618
+[N:1]#[C:2]-[C:3](-[c:4])-[N:5](-[C:6])-[C:7]>>[N:5](-[C:6])-[C:7].[N:1]#[C:2]-[Si:9](-[C:8])(-[C:10])-[C:11].[C:3](-[c:4])=[O:12]	1	19620
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:7]:[n:9]:1:[n:8]):[c:10])-[C:11]>>[C:1]-[N:2]-[C:11].[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:7]:[n:9]:1:[n:8]):[c:10])-[Cl:12]	1	19677
+[C:1]-[N:2](-[C:3](-[C:4])(-[C:5](=[O:6])-[N:7])-[c:8])-[C:9]>>[C:1]-[N:2]-[C:9].[C:3](-[C:4])(-[C:5](=[O:6])-[N:7])(-[c:8])-[Br:10]	1	19693
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8])-[C:10]>>[C:1]-[N:2](-[C:10])-[C:17](-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15])=[O:18].[c:3]:1(:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8])-[Br:11]	1	19723
+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]:[c:7]:[n:8]):[n:9]:1>>[C:5](-[c:6]:[c:7]:[n:8])(=[O:10])-[O:11].[C:1]-[C:2](-[N:3]-[O:4])=[N:9]	1	19774
+[c:1]-[C:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:1]-[C:2]-[Br:7].[c:3](:[c:4])(:[c:6]:[n:5])-[B:9](-[O:8])-[O:10]	1	19775
+[n:1]:[c:6]:[c:2]-[C:3](-[n:4]:1:[c:8]:[c:7]:[n:10]:[c:9]:1)=[O:5]>>[n:1]:[c:6]:[c:2]-[C:3](=[O:5])-[O:18].[n:4]:1(:[c:8]:[c:7]:[n:10]:[c:9]:1)-[C:12](=[O:11])-[n:13]:2:[c:14]:[c:15]:[n:16]:[c:17]:2	1	19783
+[C:1]-[N:2](-[C:3](=[O:4])-[N:5]-[c:6])-[C:7]>>[C:1]-[N:2](-[C:7])-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14].[C:3](=[O:4])=[N:5]-[c:6]	1	19791
+[c:1](:[c:2]-[c:3]:1:[n:4]:[n:5]:[n:6]:[n:7]:1):[s:8]>>[c:1](:[c:2]-[C:3]#[N:7]):[s:8].[N-:4]=[N+:6]=[N-:5]	1	19792
+[C:1](-[N:2])=[O:3]>>[C:1](-[n:2]:1:[c:5]:[c:4]:[n:7]:[c:6]:1)=[O:3]	1	19805
+[c:1]:1:[c:2]:[s:3]:[c:4]:2:[c:5]:1:[c:6](:[n:7]:[c:8]:[n:9]:2)-[O:10]>>[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1-[C:6](=[O:10])-[O:13]-[C:12]-[C:11])-[N:9].[N:7]-[C:8]=[N:14]	1	19809
+[C:1](=[O:2])-[N:3]-[N:4]-[c:5]>>[C:1](=[O:2])-[N:3]-[N:4](-[c:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	1	19811
+[N:1](-[C:2])-[S:3]>>[N:1](-[C:2])(-[S:3])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]	1	19813
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6]>>[C:5](-[c:6])=[O:21].[O:1]-[C:2](=[O:3])-[C:4]-[P:8](=[O:7])(-[O:9]-[C:10]-[C:11](-[F:12])(-[F:13])-[F:14])-[O:15]-[C:16]-[C:17](-[F:18])(-[F:19])-[F:20]	1	19823
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6].[c:7]:[c:8](-[C:9](=[N:10])-[N:11]-[C:12](=[O:13])-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18]):[s:19]>>[c:1]:[c:2](:[c:6])-[Br:20].[c:7]:[c:8](-[C:9](-[N:10])=[N:11]-[C:12](=[O:13])-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18]):[s:19].[c:3](:[c:4])(:[c:5])-[B:25]-1-[O:24]-[C:22](-[C:21])(-[C:23])-[C:27](-[O:26]-1)(-[C:28])-[C:29]	1	19827
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6].[c:7]:[c:8](-[C:9](=[N:10])-[N:11]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]):[s:12]>>[c:1]:[c:2](:[c:6])-[Br:20].[c:7]:[c:8](-[C:9](-[N:10])=[N:11]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]):[s:12].[c:3](:[c:4])(:[c:5])-[I:21]	1	19828
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5](:[n:6]):[c:7].[C:8]-[N:12]=[C:10](-[O:9])-[N:11]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]>>[c:1]-[N:2].[C:8]-[N:12]-[C:10](-[O:9])=[N:11]-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19].[C:3](=[O:4])(-[c:5](:[n:6]):[c:7])-[O:20]	1	19832
+[N:1]-[C:2](=[N:3]-[C:4])-[S:5]>>[N:1](=[C:2](-[N:3]-[C:4])-[S:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	1	19833
+[C:1]-[O:2]-[C:3]-[C:4]-[C:5](=[O:6])-[O:7]>>[C:1]-[O:2].[C:3](-[C:4]-[C:5](=[O:6])-[O:7])-[Br:8]	1	19840
+[C:1](=[O:2])-[C:3]-[N:4]>>[C:1](=[O:2])-[C:3]-[N:4]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]	1	19843
+[C:1]-[C:2](=[N:3]-[c:4])-[N:7]-[C:5]=[O:6]>>[C:1]-[C:2](-[N:7]-[C:5]=[O:6])=[O:8].[N+:3](-[c:4])(=[O:9])-[O-:10]	1	19847
+[C:1]-[C:2](=[O:3])-[C:4]>>[C:2](=[O:3])(-[C:4])-[N:7](-[O:6]-[C:5])-[C:8].[C:1]-[Mg+:9]	1	19848
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:[c:11]:1-[C:12]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:11](-[C:12])=[O:13].[C:5](-[c:6](:[c:7]):[c:9](:[c:8])-[N:10])=[O:14]	1	19888
+[c:1]-[O:2]-[C:3]-[C:4]#[C:5]>>[c:1]-[O:2].[C:3](-[C:4]#[C:5])-[O:14]-[S:11](-[c:10]:1:[c:9]:[c:8]:[c:7](-[C:6]):[c:16]:[c:15]:1)(=[O:12])=[O:13]	1	19897
+[C:1]-1-[C:2](-[N:3](-[C:4]-[C:5](-[N:6]-1)=[O:8])-[C:9])=[O:7]>>[C:1](-[C:2](=[O:7])-[O:17])-[N:6]-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[N:3](-[C:4]-[C:5](=[O:8])-[O:20]-[C:19]-[C:18])-[C:9]	1	19904
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:15]-[c:14]:1:[c:9](-[N+:7](=[O:6])-[O-:8]):[c:10]:[c:11]:[c:12]:[c:13]:1.[N:4]-[C:5]	1	19916
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5](=[C:6]-[C:7])-[C:9](-[N:8])=[O:10]>>[C:1]-[C:2](=[O:3])-[O:11].[N:4]-[C:5](=[C:6]-[C:7])-[C:9](-[N:8])=[O:10]	1	19975
+[C:1]-[C:2](=[O:3])-[O:5]-[c:4]>>[C:1]-[C:2](=[O:3])-[O:6].[c:4]-[O:5]	1	19986
+[C:1]-1-[C:2]-[C:3]-[N:4](-[c:5])-[C:6]-1=[O:7]>>[C:1](-[C:2]-[C:3]-[S:9]-[C:8])-[C:6](-[N:4]-[c:5])=[O:7]	1	19997
+[C:1]-[S:2]-[C:3]-[c:4]>>[C:1]-[S:2].[C:3](-[c:4])-[O:5]	1	20026
+[N:1]-[C:2](=[O:3])-[O:4]>>[N:1]-[C:2](=[O:3])-[O:4]-[C:6](-[C:5])(-[C:7])-[C:8]	1	20027
+[C:1]-[C:2]-1=[C:3](-[c:4](:[c:5]):[c:7]:[n:6])-[C:8]=[C:9]-[C:10]-[N:11]-1>>[c:4](:[c:5])(:[c:7]:[n:6])-[Br:12].[C:1]-[C:2]-1=[C:3](-[C:8]=[C:9]-[C:10]-[N:11]-1)-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21]	1	20032
+[c:1]-[C:2]-[N:3](-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[C:11](=[O:12])-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17]>>[N:3](-[C:4](=[O:5])-[O:6]-[C:7](-[C:8])(-[C:9])-[C:10])-[C:11](=[O:12])-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17].[c:1]-[C:2]-[Br:18]	1	20070
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8](-[C:9]-[c:10])-[C:11](=[O:12])-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[C:11](=[O:12])-[O:13]-[C:14](-[C:15])(-[C:16])-[C:17].[C:9](-[c:10])-[Cl:18]	1	20071
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[s:9]>>[C:1]-[O:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[s:9])-[Cl:10]	1	20102
+[N:1]=[C:2]-[S:4](-[C:3])(=[O:5])=[O:6]>>[N:1]=[C:2]-[S:4]-[C:3].[O:5]=[S:8](-[O:7])-[O:9]-[O:6]	1	20110
+[n:1]:[c:2]:[c:3]-[n:4]:1:[c:5](:[n:6]:[n:7]:[c:8]:1-[C:9])-[C:10]>>[n:1]:[c:2]:[c:3]-[N:4]-[C:5](-[C:10])=[S:12].[N:6]-[N:7]-[C:8](-[C:9])=[O:11]	1	20115
+[C:1]-[N:2]>>[C:1]-[N:2]-[S:8](-[c:7]:1:[c:6]:[c:5]:[c:4](-[C:3]):[c:12]:[c:11]:1)(=[O:9])=[O:10]	1	20121
+[c:1]-[O:2]-[C:3]-[c:4](:[c:5]):[o:6]>>[c:1]-[O:2].[C:3](-[c:4](:[c:5]):[o:6])-[Cl:7]	1	20136
+[C:1]-[C:2]>>[C:1](-[C:2])-[I:3]	1	20150
+[C:1]-[C:2](=[O:3])-[C:4]>>[C:1]-[C:2](-[C:4])=[C:6].[O:3]=[O+:5]-[O-:7]	1	20191
+[C:1]-[n:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8](:[n:9]):[c:10]:[c:11]:1:2>>[C:1]-[N:2]-[c:11]:1:[c:5](-[N:4]):[c:6]:[n:7]:[c:8](:[n:9]):[c:10]:1.[N:3](=[O:12])-[O:13]	1	20204
+[C:1]-[O:2]-[C:3](=[O:4])-[n:5](:[c:6]:[c:7]):[c:8]>>[C:1]-[O:2].[C:3](=[O:4])(-[n:5](:[c:6]:[c:7]):[c:8])-[n:11]:1:[c:10]:[c:9]:[n:13]:[c:12]:1	1	20251
+[n:1]:[c:2]:[c:3]-[N:4]-[C:5](=[O:6])-[c:7](:[c:8]:[s:9]):[n:10]>>[n:1]:[c:2]:[c:3]-[N:4].[C:5](=[O:6])(-[c:7](:[c:8]:[s:9]):[n:10])-[O:11]	1	20276
+[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[c:6](:[c:7]):[c:8])-[N:9]=[C:10]-1>>[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[N:9]=[C:10]-1)-[Cl:11].[c:6](:[c:7])(:[c:8])-[B:13](-[O:12])-[O:14]	1	20290
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[c:6](:[n:7]:[n:8]):[c:9]>>[c:6](:[n:7]:[n:8])(:[c:9])-[Cl:10].[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1-[B:12](-[O:11])-[O:13]	1	20312
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6])-[C:7]>>[C:1]-[N:2]-[C:7].[C:3](=[O:4])-[N:9](-[C:8])-[C:10].[O:5]-[C:6]	1	20314
+[C:1]-[N:2](-[C:3]-[C:4]-[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[C:3]=[C:4]-[c:5]	1	20328
+[N:1]-[C:2]>>[N:1](-[C:2])-[C:4](-[C:3])-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1	1	20389
+[C:1](=[O:2])-[O:3]-[C:4]-[c:5]>>[C:1](=[O:2])-[O:3].[C:4](-[c:5])-[O:6]	1	20409
+[C:1]-[C:2]-[N:3](-[C:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]>>[C:1]-[C:2]-[Br:12].[N:3](-[C:4])-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]	1	20426
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[C:6]=[C:7]-[c:8](:[c:9]):[c:11]-1:[c:10]>>[C:1]-[C:2]-[Br:12].[n:3]:1:[c:4](-[O:5]):[c:6]:[c:7]:[c:8](:[c:9]):[c:11]:1:[c:10]	1	20480
+[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[N:7]-[C:8]>>[N:7]-[C:8].[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[O:9]	1	20499
+[N:1](-[C:2])-[C:6]-[C:4](-[N:3])=[O:5]>>[N:1](-[C:2])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13].[N:3]-[C:4](=[O:5])-[C:6]-[Cl:14]	1	20521
+[C:1]-[n:2]:1:[n:3]:[c:4](-[O:5]-[C:6]-[c:7]):[c:8]:[c:9]:1-[C:10](=[O:12])-[O:13]>>[C:1]-[N:2]-1-[N:3]-[C:4](=[O:5])-[C:8]=[C:9]-1-[C:10](=[O:12])-[O:13].[C:6](-[c:7])-[Br:11]	1	20523
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]>>[c:1]-[N:2].[C:3](=[O:4])(-[O:5])-[O:13]-[N:12]-1-[C:7](=[O:6])-[C:8]-[C:9]-[C:10]-1=[O:11]	1	20525
+[n:1]:[c:2]:1:[c:3](:[s:4]):[c:5]:[c:6](:[c:7]):[n+:8]:[c:9]:1-[N:10]>>[n:1]:[c:2]:1:[c:3](:[s:4]):[c:5]:[c:6](:[c:7]):[n+:8]:[c:9]:1.[N:10]	1	20545
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6](-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]):[n:15]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:15]:1)-[Cl:16].[N:6](-[C:7])-[C:8](=[O:9])-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14]	1	20623
+[C:1](-[N:2])=[O:3]>>[C:1](-[N:2])(=[O:3])-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7]	1	20624
+[C:1]-[C:4]-1=[C:3](-[C:2])-[N:8]-[N:7]-[C:5]-1=[O:6]>>[C:1]-[C:4](-[C:3](-[C:2])=[O:16])-[C:5](=[O:6])-[N:7]-[N:8]-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]	1	20625
+[c:1]-[C:2]-1=[N:3]-[N:4](-[c:5])-[C:6](=[O:7])-[N:8]-1>>[N:3](-[N:4]-[c:5])-[C:13](-[O:12]-[C:9](-[C:10])(-[C:11])-[C:16])=[O:14].[c:1]-[C:2](-[N:8]=[C:6]=[O:7])=[O:15]	1	20638
+[O:1]-[N:2]>>[O:1]-[N:2]-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]	1	20645
+[c:1]:[c:2]:1:[n:3]:[c:4](-[N:5]):[n:6]:[c:7](-[C:8](=[O:9])-[N:10]):[c:11]:1:[c:12]>>[c:1]:[c:2](-[N:3]-[C:4](-[O:14]-[C:27](-[C:13])(-[C:26])-[C:28])=[O:15]):[c:11](-[C:7](-[C:8](=[O:9])-[N:10])=[O:16]):[c:12].[N:5](-[Si:18](-[C:17])(-[C:19])-[C:20])=[C:21]=[N:6]-[Si:22](-[C:23])(-[C:24])-[C:25]	1	20651
+[C:1]-[n:2]:1:[c:3]:[c:4](-[C:5](=[O:6])-[N:7]):[n:8]:[n:9]:1>>[C:3]#[C:4]-[C:5](=[O:6])-[N:7].[C:1]-[N:2]=[N+:9]=[N-:8]	1	20698
+[O:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[N:6](-[c:7])-[C:8]-1=[O:9]>>[O:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[O:10]-[C:8]-1=[O:9].[N:6]-[c:7]	1	20718
+[C:1](-[c:2])(-[c:3](:[c:4]):[c:5])(-[C:6])-[O:7]>>[c:3](:[c:4])(:[c:5])-[I:8].[C:1](-[c:2])(-[C:6])=[O:7]	1	20761
+[s:1]:[c:2](-[N:3]-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1):[c:10]>>[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[Cl:11].[s:1]:[c:2](-[N:3]):[c:10]	1	20770
+[c:1]:1:[n:2]:[n:3]:[c:4]:2:[n:5]:[c:6]:[n:7]:[c:8](-[N:9]-[c:10]):[c:11]:1:2>>[c:1]:1:[n:2]:[n:3]:[c:4](-[N:5]=[C:6]-[N:13](-[C:12])-[C:14]):[c:11]:1-[C:8]#[N:7].[N:9]-[c:10]	1	20777
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+[n:1]:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]>>[c:4](:[c:5])(:[c:6])-[B:10](-[O:9])-[O:11].[n:1]:[n:2]:[c:3](:[c:7])-[Br:8]	1	20782
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+[c:1]:1:[n:2]:[c:3]:2:[c:4](-[N:5]):[n:6]:[c:7](:[c:8]):[c:10](:[c:9]):[c:11]:2:[c:12]:[c:13]:1>>[N:5](-[c:10](:[c:7](:[c:8])-[B:22](-[O:23])-[O:24]):[c:9])-[C:20](-[O:19]-[C:16](-[C:15])(-[C:17])-[C:18])=[O:21].[c:1]:1:[n:2]:[c:3](-[C:4]#[N:6]):[c:11](:[c:12]:[c:13]:1)-[Br:14]	1	20827
+[N:1]-1-[C:2](=[O:3])-[N:4](-[c:5])-[c:6](:[n:7]:[c:8]:[c:9]):[c:10]-1>>[N:1](-[C:2](=[O:3])-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14])-[c:10]:[c:6](:[n:7]:[c:8]:[c:9])-[Cl:16].[N:4]-[c:5]	1	20829
+[C:1]-[N:2](-[c:3]:[c:4]:[n:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]>>[C:1]-[I:13].[N:2](-[c:3]:[c:4]:[n:5])-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	1	20831
+[n:1]:1:[c:2]:[c:3](:[c:4]:[c:5]:1)-[I:6]>>[n:1]:1:[c:2]:[c:3]:[c:4]:[c:5]:1.[I:6]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	1	20837
+[n:1]:[c:2]:[c:3]-[C:4]-1=[N:5]-[O:6]-[C:7](=[O:8])-[N:9]-1>>[n:1]:[c:2]:[c:3]-[C:4]#[N:9].[N:5]-[O:6].[C:7](=[O:8])(-[O:10])-[O:11]	1	20845
+[O:1]=[S:2](=[O:3])(-[N:4](-[c:5](:[c:6]:[s:7]):[n:8])-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16])-[c:9]>>[N:4](-[c:5](:[c:6]:[s:7]):[n:8])-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[O:1]=[S:2](=[O:3])(-[c:9])-[Cl:17]	1	20861
+[n:1]:1:[c:2]:[c:3](-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]):[c:9]:[c:10]:1>>[n:1]:1:[c:2]:[c:3](:[c:9]:[c:10]:1)-[I:24].[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Sn:15](-[C:14]-[C:13]-[C:12]-[C:11])(-[C:16]-[C:17]-[C:18]-[C:19])-[C:20]-[C:21]-[C:22]-[C:23]	1	20881
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[N:6](-[C:7]-[c:8])-[C:9](=[O:10])-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14]>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[N:6]-[C:9](=[O:10])-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14].[C:7](-[c:8])-[Br:16]	1	20882
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+[n:1]:[c:2](-[N:3]-[c:4](:[c:5]):[c:8](:[n:6]):[n:7]):[c:9]>>[c:4](:[c:5])(:[c:8](:[n:6]):[n:7])-[Br:10].[n:1]:[c:2](-[N:3]):[c:9]	1	21404
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[n:6](:[c:7](:[c:8]):[c:9]:1)-[C:13]=[O:14]>>[c:1]:1:[c:2](:[n:6](:[c:7](:[c:8]):[c:9]:1)-[C:13]=[O:14])-[B:11](-[O:10])-[O:12].[c:3](:[c:4])(:[c:5])-[Br:15]	1	21444
+[n:1]:[c:6](:[c:2]):[c:4](:[c:3])-[Cl:5]>>[n:1]:[c:6](:[c:2]):[c:4]:[c:3].[Cl:5]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	1	21458
+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:[n:6]):[c:7]:1>>[c:1]:1:[c:2]:[n:3](:[c:4](:[c:5]:[n:6]):[c:7]:1)-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14]	1	21461
+[C:1]-[N:2]-[S:3](=[O:4])(=[O:5])-[N:6]>>[C:1]-[N:2].[S:3](=[O:4])(=[O:5])(-[N:6])-[Cl:7]	1	21493
+[C:1](-[N:2]-[C:3](-[C:4])-[C:5](=[O:6])-[O:10])-[C:7](=[O:8])-[O:9]>>[C:1](-[N:2])-[C:7](=[O:8])-[O:9].[C:3](-[C:4])(-[C:5](=[O:6])-[O:10])-[Br:11]	1	21496
+[n:1]:[c:2](-[N:3](-[C:4])-[C:5]-[c:6]):[n:7]>>[n:1]:[c:2](-[N:3]-[C:4]):[n:7].[C:5](-[c:6])-[Br:8]	1	21515
+[C:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[C:1]-[C:2](=[O:3])-[O:4]-[C:5](-[C:6])(-[C:7])-[C:8]	1	21516
+[N:1]-1-[C:2]=[C:3]-[C:4](-[c:5](:[c:6]):[c:7])=[C:8]-[C:9]-1=[O:10]>>[N:1]-1-[C:2]=[C:3]-[C:4](=[C:8]-[C:9]-1=[O:10])-[Br:11].[c:5](:[c:6])(:[c:7])-[B:13](-[O:12])-[O:14]	1	21519
+[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:10]):[c:6]:[c:7](-[c:8]):[n:9]:1>>[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:10])-[C:6]-[C:7](-[c:8])=[O:12])=[O:11].[N:9]	1	21524
+[C:1]-[C:2](=[O:3])-[N:4]-[C:5]=[N:6]>>[C:1]-[C:2](=[O:3])-[O:8]-[C:7].[N:4]-[C:5]=[N:6]	1	21536
+[O:1]=[C:2](-[C:3])-[N:4]=[C:5](-[N:6]-[C:7])-[N:8]>>[O:1]=[C:2](-[C:3])-[O:9].[N:4]-[C:5](=[N:6]-[C:7])-[N:8]	1	21540
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+[N:1]-[C:7](-[N:6]-[C:2]-[C:3](=[O:4])-[O:5])=[O:8]>>[N:1]-[C:7](-[N:6](-[C:2]-[C:3](=[O:4])-[O:5])-[C:10](=[O:9])-[O:11]-[C:12]-[c:13]:1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)=[O:8]	1	21596
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6](-[C:7](=[O:8])-[O:9])-[C:10]):[n:11]:1>>[N:6](-[C:7](=[O:8])-[O:9])-[C:10].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:11]:1)-[Cl:12]	1	21598
+[n:1]:[c:2](-[C:3]-[O:5]):[n:4]>>[n:1]:[c:2](-[C:3](=[O:5])-[O:8]-[C:7]-[C:6]):[n:4]	1	21640
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+[C:1]-[C:2]=[C:3](-[N:4]-[S:5](=[O:6])(=[O:7])-[C:8])-[C:9](=[O:10])-[N:11]>>[C:1]-[C:2]=[C:3](-[N:4])-[C:9](=[O:10])-[N:11].[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:12]	1	21699
+[N:1]-[C:9](-[C:2]-[N:3]-[C:4](-[C:5])-[C:6](=[O:7])-[O:8])=[O:10]>>[N:1]-[C:9](-[C:2]-[N:3])=[O:10].[C:4](-[C:5])(-[C:6](=[O:7])-[O:8])-[Br:11]	1	21703
+[N:1]-[C:2](=[O:3])-[N:4](-[c:5]:1:[n:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[c:11]>>[N:1]-[C:2](=[O:3])-[N:4]-[c:11].[c:5]:1(:[n:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[Cl:12]	1	21707
+[N:1]-[C:2](=[O:3])-[N:4](-[c:5](:[n:6]:[c:7]:[c:8]):[c:9])-[c:10]>>[N:1]-[C:2](=[O:3])-[N:4]-[c:10].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Br:11]	1	21708
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+[c:1]:[c:2]:1:[c:3](:[n:4]:[c:5](-[O:6]):[c:7]:2:[c:8]:1:[c:9]:[c:10]:[s:11]:2):[c:12]>>[c:1]:[c:2]:[c:3](-[N:4](-[C:5](=[O:6])-[c:7]:1:[c:8](:[c:9]:[c:10]:[s:11]:1)-[Br:20])-[C:18](-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16])=[O:19]):[c:12]	1	21797
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+[C:1]-[N:2]-[C:3].[c:4]-[N:5]-[C:6](=[N:7])-[c:8](:[c:9]):[s:10]>>[C:1]-[N:2](-[C:3])-[C:16](-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14])=[O:17].[c:4]-[N:5]=[C:6](-[N:7])-[c:8](:[c:9]):[s:10]	1	21889
+[n:1]:[c:2]:[c:3]-[C:4](-[C:5])-[O:7]-[C:6]>>[n:1]:[c:2]:[c:3]-[C:4](-[C:5])-[O:8].[C:6]-[O:7]	1	21893
+[n:1]:1:[c:2]:[n:3]:[c:4](-[c:5]:2:[c:6]:[c:7](:[n:8]):[c:10](:[c:9]):[s:11]:2):[c:12]:1>>[n:1]:1:[c:2]:[n:3]:[c:4](:[c:12]:1)-[I:13].[c:5]:1:[c:6]:[c:7](:[n:8]):[c:10](:[c:9]):[s:11]:1	1	21902
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+[n:1]:[c:2]-1:[c:3]-[C:4](=[O:5])-[N:6]-[C:7](=[O:8])-[N:9]-1>>[n:1]:[c:2](:[c:3]-[C:4](=[O:5])-[N:6])-[N:9].[C:7](=[O:8])(-[O:14]-[C:11](-[Cl:10])(-[Cl:12])-[Cl:13])-[O:15]-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19]	1	22265
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+[n:1]:[c:2](-[C:3](=[O:4])-[N:5](-[C:6])-[c:7]):[c:8]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:16]):[c:8].[N:5](-[C:6])(-[c:7])-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15]	1	22340
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+[C:1]-[N:2]-[C:3](-[N:4]-[C:7](=[O:6])-[O:8])=[S:5]>>[C:1]-[N:2].[C:3](=[N:4]-[C:7](=[O:6])-[O:8])=[S:5]	1	22470
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+[C:1]-[O:2]-[c:3]:1:[n:4]:[n:5](:[c:6](:[c:7]):[c:9]:1:[c:8])-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16]>>[O:2]=[C:3]-1-[N:4]-[N:5](-[c:6](:[c:7]):[c:9]-1:[c:8])-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[C:1]-[I:17]	1	23162
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+[C:1](=[O:2])(-[C:3](=[C:4])-[C:16]-[C:7](=[N:6]-[c:5])-[N:8]-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])-[O:17]>>[C:1](=[O:2])(-[C:3](=[C:4])-[C:16]-[C:7](-[N:6]-[c:5])=[N:8]-[C:9](=[O:10])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15])-[O:17]-[C:19]-[C:18]	1	23174
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+[N:1](-[C:2]-[C:3](=[O:4])-[N:5])(-[C:6])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13]>>[N:1](-[C:6])-[C:12](-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10])=[O:13].[C:2](-[C:3](=[O:4])-[N:5])-[Br:14]	1	23290
+[n:1]:[c:2]:[c:3]-[O:4]-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]>>[n:1]:[c:2]:[c:3]-[O:4].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Cl:10]	1	23296
+[C:1]-[C:2]-1=[N:3]-[c:4]:[c:5]-[C:6](=[O:7])-[N:8]-1-[c:9]>>[C:1]-[C:2](-[O:10])=[O:12].[N:3]-[c:4]:[c:5]-[C:6](=[O:7])-[O:11].[N:8]-[c:9]	1	23306
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+[C:1]-[C:2]-1-[O:3]-[C:4]-1>>[C:1]-[C:2]=[O:3].[C:4]-[S+:6](-[C:5])(-[C:7])=[O:8]	1	23343
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+[C:1]-[C:2](-[O:3])-[c:4]:1:[n:5]:[c:6]:[c:8](:[c:7]):[o:9]:1>>[C:1]-[C:2]=[O:3].[c:4]:1:[n:5]:[c:6]:[c:8](:[c:7]):[o:9]:1	1	23362
+[N:1]-[C:2]-[C:9](=[O:10])-[O:11].[C:3]-[N:4]=[C:5](-[N:6])-[N:7]-[N+:8]>>[N:1](-[C:2]-[C:9](=[O:10])-[O:11])-[C:17](-[O:16]-[C:13](-[C:12])(-[C:14])-[C:15])=[O:18].[C:3]-[N:4]-[C:5](=[N:6])-[N:7]-[N+:8]	1	23379
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+[n:1]:[c:2]:[c:3]-[N:4]>>[n:1]:[c:2]:[c:3]-[N:4]-1-[C:5](=[O:6])-[c:14]:2:[c:9](-[C:8]-1=[O:7]):[c:10]:[c:11]:[c:12]:[c:13]:2	1	23433
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+[C:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[C:5](-[c:6])(-[O:9]-[C:8])=[O:10].[C:1]-[C:2](-[N:3]-[O:4])=[N:7]	1	23461
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+[c:1]:[c:2]:1-[N:3]=[C:4]-[C:5](=[O:6])-[N:7](-[C:8]-[C:9])-[c:10]:1:[c:11]>>[C:8](-[C:9])-[O:16]-[S:13](-[C:12])(=[O:14])=[O:15].[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[O:6]):[n:7]:[c:10]:1:[c:11]	1	23537
+[C:1]-[C:2](-[N:3]-[C:6](=[O:5])-[O:7]-[C:8]-[c:9])-[C:4]>>[C:1]-[C:2](-[C:4])-[C:6](=[O:5])-[O:7].[C:8](-[c:9])-[O:10].[N:3](=[N+:12]=[N-:11])-[P:13](=[O:14])(-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)-[c:21]:2:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:2	1	23588
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+[n:1]:[c:2]:[c:5](:[c:4]:[o:3])-[C:6](=[O:7])-[N:8]-[c:9]:[c:11]:[n:10]>>[n:1]:[c:2]:[c:5](:[c:4]:[o:3])-[C:6](=[O:7])-[O:12].[N:8]-[c:9]:[c:11]:[n:10]	1	23613
+[C:1]-[N:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:9]:1:[c:8])-[C:10]>>[C:1]-[N:2]-[C:10].[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:9]:1:[c:8])-[Cl:11]	1	23652
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+[C:1](=[C:2])-[C:7]-[C:5](-[N:4]-[c:3])=[N:6]>>[C:1](=[C:2])-[C:7]-[C:5](=[N:4]-[c:3])-[N:6]-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14]	1	23703
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+[c:1]-[N:2]>>[c:1]-[N:2]-[C:4](=[O:3])-[O:5]-[C:6]-[C:7]-1-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]-1:3	1	23906
+[n:1]:[n:2]:1:[c:3](:[n:4]:[c:5]:[c:6]:1-[c:7](:[c:8]:[n:9]):[c:10]):[c:11]>>[n:1]:[n:2]:1:[c:3](:[n:4]:[c:5]:[c:6]:1-[Br:12]):[c:11].[c:7](:[c:8]:[n:9])(:[c:10])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21]	1	23938
+[N:1](-[C:2])-[C:6](-[c:5](:[n:3]):[c:4])=[O:13]>>[N:1](-[C:2])-[C:17](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12].[n:3]:[c:5](:[c:4])-[C:6](=[O:13])-[O:16]-[C:15]-[C:14]	1	23962
+[N:1]-[C:2](=[O:3])-[C:4]-[N:6]-[C:5]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:6](-[C:5])-[C:8](=[O:7])-[O:9]-[C:10]-[C:11]-1-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]-1:3	1	23970
+[C:1](=[O:2])-[O:3]-[C:4]-[C:5]#[N:6]>>[C:1](=[O:2])-[O:3].[C:4](-[C:5]#[N:6])-[Br:7]	1	23979
+[C:1]-[C:2](=[O:3])-[N:4]-[N:5]-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]>>[C:1]-[C:2](=[O:3])-[O:13].[N:4]-[N:5]-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	1	24012
+[c:1]-[C:2](=[O:3])-[N:4]-[N:5]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12]>>[N:4]-[N:5]-[C:6](=[O:7])-[O:8]-[C:9](-[C:10])(-[C:11])-[C:12].[c:1]-[C:2](=[O:3])-[Cl:13]	1	24014
+[C:1]-[O:2]-[C:3](=[O:4])-[N:5]-[N:6]-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13]>>[N:5]-[N:6]-[C:7](=[O:8])-[O:9]-[C:10](-[C:11])(-[C:12])-[C:13].[C:1]-[O:2].[C:3](=[O:4])(-[n:16]:1:[c:15]:[c:14]:[n:23]:[c:22]:1)-[n:17]:2:[c:18]:[c:19]:[n:20]:[c:21]:2	1	24017
+[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[N:9](-[c:10]:1:[n:11]:[c:12]:[n:13]:[c:14]:[c:15]:1)-[C:16]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[N:8]-[N:9]-[C:16].[c:10]:1(:[n:11]:[c:12]:[n:13]:[c:14]:[c:15]:1)-[Cl:17]	1	24024
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:2):[n:10]:1-[N:11]-[C:12](=[O:13])-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18]>>[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:9]:1)-[N:10]-[N:11]-[C:12](=[O:13])-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18].[C:1]-[C:2](=[O:19])-[Cl:20]	1	24025
+[C:1](-[C:2]-[C:3](=[O:4])-[N:5](-[c:6])-[N:7]-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14])=[O:15]>>[C:1](-[C:2]-[C:3](=[O:4])-[Cl:16])=[O:15].[N:5](-[c:6])-[N:7]-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14]	1	24028
+[C:1]-[C:2]-[O:3]-[N:4]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]>>[O:3]-[N:4]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11].[C:1]-[C:2]-[Br:12]	1	24029
+[C:1]-[N:2](-[c:3](:[c:4]):[c:5])-[C:6]>>[C:1]-[N:2]-[C:6].[c:3](:[c:4])(:[c:5])-[O:10]-[B:8](-[O:7])-[O:9]	1	24046
+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:1>>[C:1]-[C:2](-[C:3]-[c:4](:[c:5]):[c:7](:[c:6])-[N:8]-[C:14](-[O:13]-[C:10](-[C:9])(-[C:11])-[C:12])=[O:15])=[O:16]	1	24049
+[N:1]-[C:2](=[O:3])-[C:4](=[O:5])-[N:6]>>[N:1]-[C:2](=[O:3])-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10].[C:4](=[O:5])(-[N:6])-[O:12]-[C:13](-[C:14])(-[C:15])-[C:16]	1	24057
+[c:1]:[c:2](-[c:3]:1:[c:4]:[o:5]:[c:6]:[c:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[I:9].[c:3]:1(:[c:4]:[o:5]:[c:6]:[c:7]:1)-[B:11](-[O:10])-[O:12]	1	24068
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[I:7].[c:3](:[c:4])(:[c:5])-[I:8]	1	24070
+[c:1](-[N:2]=[C:3]=[S:4]):[c:5]:[n:6]>>[c:1](-[N:2]):[c:5]:[n:6].[C:3](=[S:4])(-[n:9]:1:[c:8]:[c:7]:[n:16]:[c:15]:1)-[n:10]:2:[c:11]:[c:12]:[n:13]:[c:14]:2	1	24102
+[O:1]=[C:2]-[c:3](:[n:4]):[c:5]>>[C:2](-[c:3](:[n:4]):[c:5])=[C:6].[O+:1](=[O:7])-[O-:8]	1	24113
+[c:1](:[c:2]-1:[c:3](:[n:4])-[N:6]-[C:7](=[O:8])-[N:9]-1-[c:10](:[c:11]):[c:12]):[n:5]>>[c:1](:[c:2]-1:[c:3](:[n:4])-[N:6]-[C:7](=[O:8])-[N:9]-1):[n:5].[c:10](:[c:11])(:[c:12])-[B:14](-[O:13])-[O:15]	1	24139
+[c:1]-[C:2]-1=[N:3]-[c:4]:[c:5]-[N:6]-[C:7](=[O:8])-[C:9]-1>>[N:3](-[c:4]:[c:5]-[N:6])-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16].[c:1]-[C:2]-1=[C:9]-[C:7](=[O:8])-[O:21]-[C:18](-[C:17])(-[C:19])-[O:20]-1	1	24151
+[N:1]=[C:2](-[N:3]-[C:4])-[c:8](:[n:7]):[n:9].[c:5]-[N:6]>>[N:1]-[C:2](=[N:3]-[C:4])-[c:8](:[n:7]):[n:9].[c:5]-[N:6]-[C:15](-[O:14]-[C:11](-[C:10])(-[C:12])-[C:13])=[O:16]	1	24163
+[C:1]-[C:2]-1=[N:3]-[O:4]-[C:5](-[c:6])(-[c:7])-[C:8]-1>>[C:5](-[c:6])(-[c:7])=[C:8].[C:1]-[C:2]=[N:3]-[O:4]	1	24177
+[n:1]:[c:2](-[N:3]):[n:4]>>[n:1]:[c:2](-[N:3]-[C:10](-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8])=[O:11]):[n:4]	1	24221
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[c:6]):[n:7]>>[c:1]:[c:2](-[N:3]-[C:13](-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11])=[O:14]):[n:7].[C:4](=[O:5])(-[c:6])-[Cl:15]	1	24224
+[C:1]-[N:3](-[C:2])-[C:9](-[O:8]-[C:5](-[C:4])(-[C:6])-[C:7])=[O:10]>>[C:4]-[C:5](-[C:6])(-[C:7])-[O:8]-[C:9](=[O:10])-[O:15]-[C:12](-[C:11])(-[C:13])-[C:14].[C:1]-[N:3]-[C:2]	1	24234
+[C:1](-[C:3]=[C:2]-[N:4])=[O:5]>>[C:2](-[N:4])(-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15].[C:1](-[C:3])=[O:5]	1	24239
+[O:1]-[c:2]>>[O:1](-[c:2])-[C:8](-[O:7]-[C:4](-[C:3])(-[C:5])-[C:6])=[O:9]	1	24242
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](-[c:7](:[c:8]):[c:9]):[s:10]:1>>[c:7](:[c:8])(:[c:9])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](:[s:10]:1)-[Br:11]	1	24248
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1>>[c:1]:1:[c:2](:[n:3]:[c:4]:[c:5]:1)-[C:11](-[O:10]-[C:7](-[C:6])(-[C:8])-[C:9])=[O:12]	1	24256
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5]:[n:6]:1:[c:7]:[c:8]>>[c:1]:[c:2](-[N:3]-[N:4]):[n:6]:[c:7]:[c:8].[C:5](-[O:10]-[C:9])(-[O:11]-[C:12])-[O:13]-[C:14]	1	24273
+[c:1]-1:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]-1=[C:7]-[c:8](:[c:9]):[n:10]):[s:11]>>[c:1]-1:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]-1):[s:11].[C:7](-[c:8](:[c:9]):[n:10])=[O:12]	1	24277
+[N:1]-1-[C:2]=[C:3](-[C:4])-[C:5](-[c:6](:[c:7]):[c:8])=[C:9]-[C:10]-1=[O:11]>>[N:1]-1-[C:2]=[C:3](-[C:4])-[C:5](=[C:9]-[C:10]-1=[O:11])-[Br:12].[c:6](:[c:7])(:[c:8])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21]	1	24294
+[N:1]-1-[C:2]=[C:3](-[C:4])-[C:5](-[c:6](:[c:7]):[c:8])=[C:9]-[C:10]-1=[O:11]>>[N:1]-1-[C:2]=[C:3](-[C:4])-[C:5](=[C:9]-[C:10]-1=[O:11])-[Br:12].[c:6](:[c:7])(:[c:8])-[B:14](-[O:13])-[O:15]	1	24295
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5]:1:[c:6]:[c:7]:[c:8](:[c:9]:[c:10]:1):[n:11].[c:12]-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2-[C:19](=[O:20])-[O:21]>>[C:3](=[O:4])(-[c:5]:1:[c:6]:[c:16]:[c:15]:[c:14]:[c:13]:1-[c:12])-[O:26]-[C:23](-[C:22])(-[C:24])-[C:25].[c:7]:2:[c:8](:[c:9]:[c:10]:[c:18](:[c:17]:2)-[C:19](=[O:20])-[O:21]):[n:11].[C:1]-[N:2]	1	24305
+[c:1]:[c:2]:[n:3]:1:[c:4](:[n:5]:[n:6]:[c:7]:1-[c:8]):[c:9]>>[c:1]:[c:2]:[n:3]:[c:4](-[N:5]-[N:6]-[C:7](-[c:8])=[O:10]):[c:9]	1	24312
+[n:1]:1(:[c:2](-[C:3]#[N:4]):[c:5]:[c:6]:[c:7]:1)-[C:8]=[O:9]>>[n:1]:1(:[c:2]:[c:5]:[c:6]:[c:7]:1)-[C:8]=[O:9].[C:3](=[N:4]-[S:11](=[O:10])(=[O:12])-[Cl:13])=[O:14]	1	24324
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:1-[C:9]=[O:10]>>[c:1]:1:[c:2]:[c:3]:[c:4](:[n:8]:1-[C:9]=[O:10])-[Br:11].[c:5](:[c:6])(:[c:7])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	1	24328
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[n:6](:[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1:2)-[C:16]=[O:17]>>[c:1]:1:[c:2]:2:[n:6](:[c:7](:[c:8]:[c:9]:2:[c:10]:[c:11]:[c:12]:1)-[B:14](-[O:13])-[O:15])-[C:16]=[O:17].[c:3](:[c:4])(:[c:5])-[Br:18]	1	24336
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](=[N:7])-[N:8]-[O:9]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]#[N:7].[N:8]-[O:9]	1	24363
+[c:1]-[O:2]-[C:3](-[F:4])-[F:5]>>[C:3](-[F:4])(-[F:5])(-[P:9](-[O:8]-[C:7]-[C:6])(=[O:10])-[O:11]-[C:12]-[C:13])-[Br:14].[c:1]-[O:2]	1	24365
+[C:1](=[C:2])-[C:6](=[C:5](-[N:3])-[C:4])-[C:7](=[O:8])-[N:9]-[O:10]>>[N:9]-[O:10].[C:1](=[C:2])-[C:6](=[C:5](-[N:3])-[C:4])-[C:7](=[O:8])-[O:11]	1	24380
+[N:1]-1-[C:2](=[O:3])-[C:4]-[N:5](-[Cl:6])-[C:7]-1>>[N:1]-1-[C:2](=[O:3])-[C:4]-[N:5]-[C:7]-1.[Cl:6]-[O:12]-[C:9](-[C:8])(-[C:10])-[C:11]	1	24390
+[C:1]-[O:2]-[C:3](-[O:4]-[C:5](-[C:6])(-[C:10])-[C:11])-[C:7](=[O:8])-[C:9]>>[C:1]-[O:2].[O:4](-[C:5](-[C:6])(-[C:10])-[C:11])-[Cl:12].[C:3](-[C:7](=[O:8])-[C:9])=[N+:14]=[N-:13]	1	24391
+[c:1]:[c:2](-[Cl:3]):[c:4]>>[Cl:3]-[O:9]-[C:6](-[C:5])(-[C:7])-[C:8].[c:1]:[c:2]:[c:4]	1	24392
+[C:1]-[C:2](=[O:3])-[N:4]-[O:5]-[C:7](-[C:6])(-[C:8])-[C:9]>>[N:4]-[O:5]-[C:7](-[C:6])(-[C:8])-[C:9].[C:1]-[C:2](=[O:3])-[O:10]	1	24393
+[O:1]-[P:2](=[O:3])(-[O:4])-[O:5]-[C:6]>>[O:5]-[C:6].[O:3]-[O:11]-[C:8](-[C:7])(-[C:9])-[C:10].[O:1]-[P:2](-[O:4])-[N:15](-[C:13](-[C:12])-[C:14])-[C:16](-[C:17])-[C:18]	1	24403
+[O:1]-[P:2](=[O:3])(-[O:4])-[O:5]-[C:6]-[c:7].[C:8](=[O:9])-[O:10]-[C:12]-[c:11]>>[O:5]-[O:17]-[C:14](-[C:13])(-[C:15])-[C:16].[O:1]-[P:2](-[O:4])-[N:21](-[C:19](-[C:18])-[C:20])-[C:22](-[C:23])-[C:24].[O:3]=[C:28](-[O:27]-[C:26]-[C:25])-[C:29].[C:6](-[c:7])-[O:10]-[C:8]=[O:9].[c:11]-[C:12]-[Cl:30]	1	24404
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:4](-[C:3])(-[C:5])-[C:6]	1	24405
+[n:1]:[c:2](-[O:3]):[c:4]:[n:5]>>[n:1]:[c:2](-[O:3]-[C:9](-[C:6])(-[C:7])-[C:8]):[c:4]:[n:5]	1	24409
+[C:1]-[S:2]-[c:3]:1:[n:4]:[c:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8]>>[C:1]-[S:2].[c:3]:1(:[n:4]:[c:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[Br:11]	1	24416
+[C:1](-[C:2])=[N:3]-[S:4]>>[C:1](-[C:2])=[O:5].[N:3]-[S:4]	1	24417
+[N:1]=[C:2]-1-[N:3]-[C:4](-[c:5])(-[c:6]:2:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:2)-[c:12]:[c:13]-1>>[N:1]#[C:2]-[c:13]:[c:12]-[C:4](=[N:3]-[S:19](-[C:16](-[C:15])(-[C:17])-[C:18])=[O:20])-[c:5].[c:6]:1(:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Br:14]	1	24420
+[c:1]:[c:2](-[C:3]-1(-[c:4])-[N:5]=[C:6](-[N:7])-[c:8](:[n:9]):[c:10]-1):[c:11]>>[C:3](-[c:4])(=[N:5]-[S:17](-[C:14](-[C:13])(-[C:15])-[C:16])=[O:18])-[c:10]:[c:8](-[C:6]#[N:7]):[n:9].[c:1]:[c:2](:[c:11])-[Br:12]	1	24430
+[c:1]-[C:2]-1(-[c:3]:2:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:2)-[N:9]-[C:10](=[N:11])-[c:12]:[c:13]-1>>[c:1]-[C:2](=[N:9]-[S:18](-[C:15](-[C:14])(-[C:16])-[C:17])=[O:19])-[c:13]:[c:12]-[C:10]#[N:11].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[I:20]	1	24431
+[c:1]-[C:2]-1(-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[N:8]-[C:9](=[N:10])-[c:11]:[c:12]-1>>[c:1]-[C:2](=[N:8]-[S:18](-[C:15](-[C:14])(-[C:16])-[C:17])=[O:19])-[c:12]:[c:11]-[C:9]#[N:10].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[Br:13]	1	24432
+[O:1]-[C:2](=[O:3])-[C:4]-[c:5]:1:[c:6](-[S:7]):[c:8](:[c:9]):[c:11](:[c:10]):[n:12]:1>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6]-[S:7])=[O:14].[c:8](:[c:9]):[c:11](:[c:10])-[N:12]-[N:13]	1	24446
+[C:1]-[c:2]:1:[c:3](-[S:4]):[c:5](:[c:6]):[c:8](:[c:7]):[n:9]:1-[C:10]>>[C:1]-[C:2](-[C:3]-[S:4])=[O:12].[c:5](:[c:6]):[c:8](:[c:7])-[N:9](-[C:10])-[N:11]	1	24447
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5]-[c:6])-[c:7](:[c:8]):[n:9]>>[O:1]-[C:2](=[O:3])-[C:4]-[c:7](:[c:8]):[n:9].[C:5](-[c:6])-[Br:10]	1	24449
+[c:1]-[N:2]-[C:3]-[C:4]-[C:5](=[O:6])-[O:7]>>[c:1]-[N:2].[C:3]=[C:4]-[C:5](=[O:6])-[O:7]	1	24454
+[C:1]-[C:2]-1(-[c:3](:[n:4]):[c:5])-[O:6]-[C:7]-[C:8]-[O:9]-1>>[C:1]-[C:2](-[c:3](:[n:4]):[c:5])=[O:9].[O:6]-[C:7]-[C:8]-[O:10]	1	24463
+[C:1]-[C:2](-[c:3](:[n:4]:[c:5]:[c:6]):[c:7])=[O:8]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:9].[C:1]-[C:2](=[O:8])-[N:11](-[C:10])-[C:12]	1	24472
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6]>>[C:1]-[Si:2](-[C:3])-[C:4].[O:5]-[C:6]	1	24476
+[C:1]#[C:2]>>[C:1](#[C:2])-[Si:7](-[C:4](-[C:3])(-[C:5])-[C:6])(-[C:8])-[C:9]	1	24479
+[n:1]:[c:2]:[c:9]:[c:4](:[c:3])-[C:5]-[C:6](=[O:7])-[O:8]>>[C:5]=[C:6](-[O:7]-[Si:14](-[C:11](-[C:10])(-[C:12])-[C:13])(-[C:15])-[C:16])-[O:8].[n:1]:[c:2]:[c:9]:[c:4](:[c:3])-[O:20]-[S:18](=[O:17])(=[O:19])-[C:21](-[F:22])(-[F:23])-[F:24]	1	24665
+[O:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6](-[N:7])-[N:8])-[C:10]=[C:9]>>[O:1]-[N:2].[C:3](=[O:4])(-[C:5](=[C:6](-[N:7])-[N:8])-[C:10]=[C:9])-[O:12]-[C:11]	1	24683
+[O:1]-[C:2](=[O:3])-[C:4]-1-[C:5]-[C:6]-1(-[C:7])-[C:8]>>[O:1]-[C:2](=[O:3])-[C:4]=[N+:10]=[N-:9].[C:5]=[C:6](-[C:7])-[C:8]	1	24735
+[C:1]-[C:2]-1=[C:3]-[C:4]-[C:5]-[C:6]-1(-[C:7])-[O:8]>>[C:1]-[C:2]-1=[C:3]-[C:4]-[C:5]-[C:6]-1=[O:8].[C:7]-[Li:9]	1	24736
+[c:1]-[N:2]-1-[C:3]-[c:4]:[c:6](:[n:5])-[N:7](-[C:8])-[C:9]-1=[O:10]>>[c:1]-[N:2]-[C:3]-[c:4]:[c:6](:[n:5])-[N:7]-[C:8].[C:9](=[O:10])(-[Cl:11])-[Cl:12]	1	24740
+[c:1]:[c:8](-[N:5](-[C:3](-[N:2])=[O:4])-[C:6]-[c:7]):[n:9]>>[c:1]:[c:8](-[N:5]-[C:3](-[N:2])=[O:4]):[n:9].[C:6](-[c:7])-[Br:10]	1	24751
+[C:1]=[C:2]-[C:3](-[O:4]-[S:5](=[O:6])(=[O:7])-[c:8])=[C:9]-[C:10]>>[C:1]=[C:2]-[C:3](-[O:4])=[C:9]-[C:10].[S:5](=[O:6])(=[O:7])(-[c:8])-[Cl:11]	1	24768
+[N:1]-[C:2]=[C:3]-[C:4]-[O:5]>>[N:1]-[C:2]=[C:3]-[C:4]=[O:5]	1	24800
+[C:1]-[O:2]-[C:3]-[C:4](-[O:5])-[C:6](=[O:7])-[O:8]>>[C:1]-[O:2].[C:3]-1-[C:4](-[O:5]-1)-[C:6](=[O:7])-[O:8]	1	24810
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[C:2](=[O:3])-[O:9]-[C:8].[N:4]-[c:5](:[n:6]):[c:7]	1	24811
+[C:1]-[C:2]-[C:3](=[C:4]-[C:5](=[O:6])-[C:7])-[C:8]>>[C:1]-[C:2]=[C:3](-[C:4]-[C:5](-[O:6])-[C:7])-[C:8]	1	24814
+[n:1]:[c:2]:[c:3]-[C:4]-[N:5]-[c:6]>>[n:1]:[c:2]:[c:3]-[C:4]-[Br:7].[N:5]-[c:6]	1	24841
+[C:1](-[O:2]-[c:3]:1:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[n:11]:1)-[C:12](=[O:13])-[O:14]>>[C:1](-[O:2])-[C:12](=[O:13])-[O:14].[c:3]:1(:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[n:11]:1)-[Cl:15]	1	24852
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[c:6]:[c:7](-[C:8]#[N:9]):[n:10]:1>>[C:1]-[C:2]-1=[C:3]-[C:4](-[C:5])=[C:6]-[C:7](=[C:8]=[N-:9])-[N+:10]-1=[O:11]	1	24868
+[N:1]-1-[C:2]=[C:3](-[C:4](-[N:5])=[N:6]-[C:7]-1=[O:8])-[I:11].[C:9]-[O:10]>>[N:1]-1-[C:2]=[C:3](-[C:4](=[N:5])-[N:6]-[C:7]-1=[O:8])-[I:11].[C:9]-[O:10]-[Si:16](-[C:13](-[C:12])(-[C:14])-[C:15])(-[C:17])-[C:18]	1	24902
+[C:1](-[C:2]-[O:3]-[C:4](=[S:5])-[O:6])=[C:7]>>[C:1](-[C:2]-[O:3])=[C:7].[C:4](=[S:5])(-[O:6])-[Cl:8]	1	24931
+[N:1]-[C:2](-[C:3](-[C:4])(-[C:5])-[O:6])=[O:7]>>[C:5]-[I:8].[N:1]-[C:2](-[C:3](-[C:4])-[O:6])=[O:7]	1	24943
+[C:1](-[Si:2](-[C:3])(-[C:4])-[C:5])#[C:6]-[C:7]>>[Si:2](-[C:3])(-[C:4])(-[C:5])-[Cl:8].[C:1]#[C:6]-[C:7]	1	24952
+[c:1]:[c:2]:1-[N:3]=[C:4]-[C:5](=[O:6])-[N:7](-[C:8]-[C:9])-[c:10]:1:[c:11]>>[C:8](-[C:9])-[Br:12].[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[O:6]):[n:7]:[c:10]:1:[c:11]	1	24963
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Br:10].[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[c:8]:1)-[Br:11]	1	24991
+[n:1]:1:[c:2]:[c:3](:[c:4]:[n:5]:1)-[c:8]:2:[c:7](-[C:6]):[s:12]:[c:10](:[n:9]:2)-[N:11]>>[n:1]:1:[c:2]:[c:3](:[c:4]:[n:5]:1)-[C:8](-[C:7]-[C:6])=[O:13].[N:9]-[C:10](-[N:11])=[S:12]	1	25006
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]:[c:7]:[n:8]>>[N:4](-[C:5])-[c:6]:[c:7]:[n:8].[C:1]-[C:2](=[O:3])-[O:9]	1	25016
+[C:1](=[O:2])-[N:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[c:4](:[c:5])(:[c:6])-[I:8].[C:1](=[O:2])-[N:3]-[C:7]	1	25019
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]-[Br:4].[O:3]=[C:8](-[O:7]-[C:6]-[C:5])-[C:9]	1	25045
+[C:1]-[C:2](-[c:3](:[n:4]):[c:5])-[N:6](-[C:7]=[O:8])-[C:9]=[O:10]>>[C:1]-[C:2](-[c:3](:[n:4]):[c:5])-[Br:11].[N:6](-[C:7]=[O:8])-[C:9]=[O:10]	1	25056
+[C:1]-[C:2](-[c:3](:[n:4]):[c:5])-[Br:6]>>[C:1]-[C:2]-[c:3](:[n:4]):[c:5].[Br:6]-[N:12]-1-[C:10](-[C:8](-[C:7])(-[C:9])-[N:15](-[C:13]-1=[O:14])-[Br:16])=[O:11]	1	25057
+[O:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[O:1]-[C:2](=[O:3])-[Cl:8].[c:4](:[c:5])(:[c:6])-[Br:7]	1	25070
+[c:1]:1:[c:2](-[C:3](-[O:4])-[c:5]):[s:6]:[c:7]:[c:8]:1>>[c:1]:1:[c:2](:[s:6]:[c:7]:[c:8]:1)-[Br:9].[C:3](=[O:4])-[c:5]	1	25079
+[C:1]-[C:2]-1=[C:3]-[C:4](-[C:5])=[C:6]-[C:7](=[C:8]=[N-:9])-[N+:10]-1=[O:15]>>[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]):[c:6]:[c:7]:[n+:10]:1-[O-:15].[C:8](#[N:9])-[Si:12](-[C:11])(-[C:13])-[C:14]	1	25109
+[c:1]:[c:2](-[C:3]=[O:7]):[c:4](:[n:5]):[c:6]>>[c:1]:[c:2](:[c:4](:[n:5]):[c:6])-[Br:8].[C:3](=[O:7])-[N:10](-[C:9])-[C:11]	1	25134
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[O:15].[N:3](-[C:6]-[C:5])=[C:7]=[N:8]-[C:9]-[C:10]-[C:11]-[N:12](-[C:13])-[C:14]	1	25140
+[c:1]:[c:2](-[C:3]=[C:4]-[C:5](=[O:7])-[O:8]):[n:6]>>[c:1]:[c:2](-[C:3]=[O:25]):[n:6].[C:4](-[C:5](=[O:7])-[O:8])=[P:10](-[c:9]:1:[c:23]:[c:24]:[c:26]:[c:27]:[c:28]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:3	1	25157
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:1:[c:9]:[c:10]>>[c:1]:1:[n:2]:[c:3]:[c:4](:[n:8]:1:[c:9]:[c:10])-[Br:11].[c:5](:[c:6])(:[c:7])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20]	1	25164
+[c:1]:[c:2](-[C:3](=[N:4])-[N:5]-[O:6]):[s:7]>>[c:1]:[c:2](-[C:3]#[N:4]):[s:7].[N:5]-[O:6]	1	25178
+[c:1]:[c:2](-[C:3]#[N:4]):[s:5]>>[c:1]:[c:2](-[C:3]=[O:6]):[s:5].[N:4]-[O:7]	1	25179
+[c:1]-[C:2](=[C:3]-[C:4]#[N:5])-[c:6]>>[c:1]-[C:2](-[c:6])=[O:26].[C:3](-[C:4]#[N:5])=[C:14](-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:25]:1)-[c:15]:2:[c:16]:[c:17](-[O:18]-[C:19]):[c:20]:[c:21](-[O:22]-[C:23]):[c:24]:2	1	25249
+[C:1]-[C:2](-[c:3](:[c:4]):[c:5])=[C:6](-[C:7](=[O:8])-[O:9])-[C:10]>>[c:3](:[c:4])(:[c:5])-[Br:11].[C:1]-[C:2](=[C:6](-[C:7](=[O:8])-[O:9])-[C:10])-[O:15]-[S:13](=[O:12])(=[O:14])-[C:16](-[F:17])(-[F:18])-[F:19]	1	25258
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[S:6]-[c:7]):[c:8]:1>>[S:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[N+:10](=[O:9])-[O-:11]	1	25289
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1>>[C:1]-[I:7].[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1	1	25305
+[C:1]-[N:2]-[C:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1>>[C:1]-[N:2].[C:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)=[O:9]	1	25310
+[C:1]-[C:2](-[C:3]-[O:4])(-[C:5])-[O:7]-[c:6]>>[C:1]-[C:2](=[C:3])-[C:5].[c:6]-[O:7].[O:4]-[O:10]-[C:9](=[O:8])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15](-[Cl:16]):[c:17]:1	1	25311
+[c:1]:1:[c:2]:2:[n:3]:[c:4]:[c:5]:[c:6]:[n:7]:2:[n:8]:[c:9]:1>>[c:1]:1:[c:2](-[N:3]):[n:7]:[n:8]:[c:9]:1.[C:4](=[C:5]-[C:6]=[O:13])-[N:11](-[C:10])-[C:12]	1	25320
+[c:1]:[c:2]:1-[C:3](=[O:4])-[C:5](-[C:6])-[C:7]-[c:8]:1:[c:9]>>[C:3](=[O:4])(-[C:5](-[C:6])=[C:7])-[O:10].[c:1]:[c:2]:[c:8]:[c:9]	1	25336
+[c:1]:[c:2](-[C:3](-[c:4])(-[c:5])-[O:7]):[c:6]>>[C:3](-[c:4])(-[c:5])=[O:7].[c:1]:[c:2](:[c:6])-[Br:8]	1	25346
+[c:1]-[S:2](=[O:3])(=[O:4])-[S:5]-[c:6]>>[S:5]-[c:6].[c:1]-[S:2](=[O:3])(=[O:4])-[Br:7]	1	25360
+[c:1]:1:[n:2]:[n:3]:2:[c:4]:[c:5](:[c:6]:[n:7]:[c:8]:2:[c:9]:1)-[Br:10]>>[c:1]:1:[n:2]:[n:3]:[c:8](-[N:7]):[c:9]:1.[C:4](-[C:5](-[C:6]=[O:12])-[Br:10])=[O:11]	1	25393
+[n:1]:[c:3](:[c:2])-[N:4]-[C:5](=[O:6])-[N:7]-[c:8]>>[n:1]:[c:3](:[c:2])-[N:4].[N:7]-[c:8].[C:5](=[O:6])(-[n:16]:1:[c:12]:[n:13]:[c:14]:[c:15]:1)-[n:17]:2:[c:11]:[n:10]:[c:9]:[c:18]:2	1	25395
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[c:7]):[n:8]>>[c:1]:[c:2](-[N:3]=[C:4]=[O:5]):[n:8].[N:6]-[c:7]	1	25402
+[c:1]:[c:2](-[C:3]-[N:4]):[s:5]>>[c:1]:[c:2](-[C:3](-[N:4])=[O:6]):[s:5]	1	25407
+[C:1](=[O:2])(-[O:3]-[c:4])-[Cl:5]>>[O:3]-[c:4].[C:1](=[O:2])(-[Cl:5])-[O:10]-[C:7](-[Cl:6])(-[Cl:8])-[Cl:9]	1	25414
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Br:10].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Cl:11]	1	25432
+[c:1]-[O:2]-[P:3](-[O:4])-[O:5]-[c:6]>>[P:3](-[O:4])(-[Cl:7])-[Cl:8].[c:1]-[O:2].[O:5]-[c:6]	1	25441
+[c:1]-[O:6]-[C:3](-[C:2])(-[C:4])-[C:5]>>[c:1]-[O:6].[C:2]-[C:3](-[C:4])-[C:5]	1	25444
+[c:1]:1:[c:2]:[c:3](-[C:4]):[c:5]:[c:6](:[c:7]:1)-[c:9](:[c:8]):[c:10]>>[c:8]:[c:9]:[c:10].[c:1]:1:[c:2]:[c:5]:[c:3](-[C:4]):[c:6]:[c:7]:1	1	25476
+[n:1]:[c:3](:[c:2])-[N:4]-[C:5](=[O:6])-[N:7]>>[n:1]:[c:3](:[c:2])-[N:4].[C:5](=[O:6])(-[N:7])-[O:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1	1	25490
+[c:1]:1:[c:2]:[c:3]:2:[n:4]:[n:5]:[c:6](-[c:7]):[n:8]:2:[n:9]:[c:10]:1>>[c:1]:1:[c:2]:[c:3](-[N:4]-[N:5]):[n:8]:[n:9]:[c:10]:1.[C:6](-[c:7])(=[O:11])-[Cl:12]	1	25493
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:7](-[C:4](-[C:3])(-[C:5])-[C:6])=[O:8]	1	25499
+[c:1]:[c:2](-[N:3]-1-[N:4]=[C:5]-[c:6](:[c:7]):[c:9](:[c:8])-[C:10]-1=[O:11]):[n:12]:[c:13]:[c:14]>>[n:3]:1:[n:4]:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[c:10]:1-[O:11].[c:1]:[c:2](:[n:12]:[c:13]:[c:14])-[Br:15]	1	25512
+[s:1]:[c:2]:[c:3]-[C:4](-[C:5])=[O:6]>>[s:1]:[c:2]:[c:3]-[C:4](-[C:5])-[O:6]	1	25560
+[s:1]:[c:2]:[c:3]-[C:4](-[C:5])-[O:6]>>[s:1]:[c:2]:[c:3]-[C:4]=[O:6].[C:5]-[Mg:8]-[Br:7]	1	25561
+[c:1]:1-[C:2](=[O:3])-[C:4]-[C:5]-[c:6]:1:[c:7]>>[c:1](-[C:2](=[O:3])-[C:4]-[C:5]-[Cl:8]):[c:6]:[c:7]	1	25569
+[C:1](=[O:2])(-[C:3]-1=[C:4]-[N:5]-[N:6]-[C:7]-1=[O:8])-[Cl:9]>>[C:1](=[O:2])(-[C:3]-1=[C:4]-[N:5]-[N:6]-[C:7]-1=[O:8])-[O:13].[Cl:9]-[S:11](=[O:10])-[Cl:12]	1	25582
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1>>[n:1]:1:[n:2]:[c:3](:[c:4]:[c:5]:1)-[C:7](=[O:6])-[O:8]	1	25583
+[n:1]:[c:2](-[N:3]-1-[C:4](=[O:5])-[C:6](-[O:7])=[C:8](-[C:9]=[O:10])-[C:11]-1-[c:12]):[s:13]>>[C:11](-[c:12])=[O:17].[n:1]:[c:2](-[N:3]):[s:13].[C:4](=[O:5])(-[C:6](=[O:7])-[C:8]-[C:9]=[O:10])-[O:16]-[C:15]-[C:14]	1	25593
+[C:1]-[C:2](-[c:3](:[c:4]):[c:5])=[O:6]>>[C:1]-[C:2]#[N:10].[O:6](-[C:7]-[C:12])-[C:8]-[C:9].[c:3](:[c:4])(:[c:5])-[Br:11]	1	25597
+[C:1]-[C:2]-1-[C:3]-[C:4]-[C:5](-[C:6])-[C:7]-[C:8]-1>>[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]):[c:7]:[c:8]:1	1	25598
+[n:1]:[c:2]:[c:3](-[O:4]-[C:6]):[c:5]>>[n:1]:[c:2]:[c:3](:[c:5])-[I:7].[O:4]-[C:6]	1	25611
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:2:[c:10]:[c:11]:1-[C:12](=[O:13])-[N:14]>>[C:1]-[C:2](-[C:11]-[C:12](=[O:13])-[N:14])=[O:15].[N:3]-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[C:10]=[O:16]	1	25613
+[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[O:9]-[C:10]-[C:11]=[C:12]):[c:13]:[c:14]:1>>[O:9]-[C:10]-[C:11]=[C:12].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[S:6](=[O:7])(=[O:8])-[Cl:15]):[c:13]:[c:14]:1	1	25619
+[C:1]-[O:2]-[C:3](=[C:4](-[C:5])-[C:6])-[C:7]>>[O:2]-[C:3](=[C:4](-[C:5])-[C:6])-[C:7].[C:1]-[O:8]	1	25626
+[c:1]:[c:2](-[Cl:3]):[c:4]>>[c:1]:[c:2]:[c:4].[Cl:3]-[C:6]-[Cl:5]	1	25642
+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]:[c:6]:[n:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[Mg:10]-[Br:9].[C:3](=[O:4])(-[c:5]:[c:6]:[n:7])-[N:13](-[O:12]-[C:11])-[C:14]	1	25655
+[c:1](:[n:2]:[c:3](-[Cl:4]):[c:5]):[c:6]>>[c:1](:[n:2]:[c:3]:[c:5]):[c:6].[Cl:4]-[N:13]-1-[C:8](=[O:7])-[C:9]-[C:10]-[C:11]-1=[O:12]	1	25695
+[C:1]-[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[c:2](:[n:3]:[c:4]:[c:5]):[c:6].[C:1]-[Li:7]	1	25698
+[N:1]-[c:2](:[c:3]):[c:5](:[c:4])-[O:6]>>[n:1]:1:[c:2](:[c:3]):[c:5](:[c:4]):[o:6]:[c:11]:1-[C:8](-[C:7])(-[C:9])-[C:10]	1	25738
+[n:1]:1:[c:2](-[C:3]=[O:4]):[c:5]:[n:6]:[c:7]:1>>[n:1]:1:[c:2]:[c:5]:[n:6]:[c:7]:1.[C:3](=[O:4])-[N:9](-[C:8])-[C:10]	1	25748
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+[C:1]#[C:2]-[C:3](-[C:4])(-[C:5])-[O:6]-[c:7]>>[C:1]#[C:2]-[C:3](-[C:4])(-[C:5])-[Cl:8].[O:6]-[c:7]	1	25958
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+[n:1]:[c:2]:[c:8]:[n:7]:[c:4](:[c:3]:[n:6]):[c:5]>>[n:1]:[c:2]:[c:8]:[n+:7](:[c:4](:[c:3]:[n:6]):[c:5])-[O-:9]	1	25979
+[o:1]:[c:2](-[C:3]-1=[N:4]-[C:5]-[C:6]-[O:7]-1):[c:8]>>[N:4]-[C:5]-[C:6]-[O:7].[o:1]:[c:2](-[C:3]#[N:9]):[c:8]	1	25998
+[N:1]-1-[C:2](=[O:3])-[c:4]:[c:6](:[n:5])-[N:7]-[C:8]-1=[N:9]-[C:10]>>[N:9]-[C:10].[N:1]-1-[C:2](=[O:3])-[c:4]:[c:6](:[n:5])-[N:7]=[C:8]-1-[Cl:11]	1	26003
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+[C:1]-1-[C:2]-[O:3]-[C:4](=[O:5])-[N:6]-1-[c:7](:[n:8]):[s:9]>>[C:1](-[C:2]-[O:3])-[N:6]-[c:7](:[n:8]):[s:9].[C:4](=[O:5])(-[O:11]-[C:18](-[Cl:10])(-[Cl:17])-[Cl:19])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16]	1	26038
+[C:1]-[N:3](-[C:2])-[c:4](:[c:5]):[c:6]>>[C:1]-[N:3]-[C:2].[c:4](:[c:5]):[c:6]	1	26046
+[N:1]-1-[C:2]=[N:3]-[C:4](-[O:5]-[C:6])=[C:7]-[C:8]-1=[O:9]>>[N:1]-1-[C:2]=[N:3]-[C:4](=[C:7]-[C:8]-1=[O:9])-[Cl:10].[O:5]-[C:6]	1	26056
+[N:1]-1-[C:2]=[N:3]-[C:4](-[C:5]-2-[C:6]-[C:7]-2)=[C:8]-[C:9]-1=[O:10]>>[N:1]-1-[C:2]=[N:3]-[C:4](=[C:8]-[C:9]-1=[O:10])-[Cl:11].[C:5]-1(-[C:6]-[C:7]-1)-[B:13](-[O:12])-[O:14]	1	26057
+[c:1]:[c:2](-[N:3]-1-[C:4]=[N:5]-[C:6](=[C:7]-[C:8]-1=[O:9])-[Cl:11]):[c:10]>>[c:1]:[c:2](:[c:10])-[B:13](-[O:12])-[O:14].[n:3]:1:[c:4]:[n:5]:[c:6](:[c:7]:[c:8]:1-[O:9])-[Cl:11]	1	26059
+[C:1]-[C:2]-1(-[C:3])-[O:4]-[C:5](-[N:6]-[c:7]:[c:8]-1)=[O:9]>>[C:1]-[C:2](-[C:3])(-[O:4])-[c:8]:[c:7]-[N:6].[C:5](=[O:9])(-[n:12]:1:[c:11]:[c:10]:[n:19]:[c:18]:1)-[n:13]:2:[c:14]:[c:15]:[n:16]:[c:17]:2	1	26073
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+[N:1]-1-[C:2]=[C:3](-[Br:4])-[N:5]-[C:6](=[N:7]-[C:8])-[C:9]-1=[O:10]>>[N:7]-[C:8].[N:1]-1-[C:2]=[C:3](-[Br:4])-[N:5]=[C:6](-[C:9]-1=[O:10])-[Br:11]	1	26122
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+[C:1]-[C:2](=[O:3])-[N:4]=[N+:5]=[N-:6]>>[C:1]-[C:2](=[O:3])-[O:7].[N-:4]=[N+:5]=[N-:6]	1	26147
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+[C:1]-1(=[N:2]-[c:3]:2:[c:4](:[n:5]:[c:6]:[n:7]:2)-[C:8](=[O:9])-[N:10]-1-[C:11]-[C:12])-[Cl:13]>>[C:11](-[C:12])-[Br:14].[c:1]:1(:[n:2]:[c:3]:2:[c:4](:[n:5]:[c:6]:[n:7]:2):[c:8](-[O:9]):[n:10]:1)-[Cl:13]	1	26563
+[C:1]-[c:2]:1:[c:3](-[C:4]-[C:5](=[O:6])-[O:7]):[n:8]:[c:9](-[c:10]):[o:11]:1>>[C:1]-[C:2](-[C:3](-[C:4]-[C:5](=[O:6])-[O:7])-[N:8]-[C:9](-[c:10])=[O:11])=[O:12]	1	26576
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+[C:1](=[O:2])-[N:3]-1-[C:4]-[C:5]-[O:6]-[C:7]-1(-[C:8])-[C:9]>>[C:1](=[O:2])-[N:3]-[C:4]-[C:5]-[O:6].[C:7](-[C:8])(-[C:9])(-[O:11]-[C:10])-[O:12]-[C:13]	1	26625
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+[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[N:6]-[S:7])-[N:9]-[c:8])=[C:10]-[O:11]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:12])=[C:10]-[O:11].[N:6]-[S:7].[c:8]-[N:9]	1	26694
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+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[n:6])-[c:8](:[c:7]:[n:10]):[n:9]>>[C:1]-[C:2]-[I:11].[N:3](-[C:4](=[O:5])-[n:6])-[c:8](:[c:7]:[n:10]):[n:9]	1	26733
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+[C:1](-[N:2]-[N:3]-[C:4](=[O:5])-[N:6]-[C:7])=[O:8]>>[C:4](=[O:5])=[N:6]-[C:7].[C:1](-[N:2]-[N:3])=[O:8]	1	26786
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+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5]-[C:6](=[O:7])-[N:8](-[C:9])-[C:10]-1=[O:11]>>[C:1]-[N:2]-[C:10](-[N:8]-[C:9])=[O:11].[C:3](=[O:4])(-[C:5]-[C:6](=[O:7])-[Cl:13])-[Cl:12]	1	26791
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+[C:1]-[O:2]-[C:3](-[c:4])-[c:5]>>[C:1]-[O:2].[C:3](-[c:4])(-[c:5])-[Cl:6]	1	26814
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+[O:1]-[C:2](=[O:3])-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1>>[O:1]-[C:2](=[O:3])-[Cl:9].[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1	1	26820
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+[n:1]:[c:2]:[c:3](-[C:4](-[N:5])=[O:9]):[c:6]:[n:7]>>[n:1]:[c:2]:[c:3](-[C:4](-[O:8]-[C:11]-[C:10])=[O:9]):[c:6]:[n:7].[N:5]	1	26858
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5]-[C:6]):[c:7]>>[C:5](-[C:6])-[Zn+:9].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[Cl:8]	1	26870
+[c:1]:[c:2]:1-[C:3]=[C:4]-[C:5](-[N+:6](-[c:7]:1:[c:8])-[O-:10])=[O:11]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n+:6](:[c:7]:1:[c:8])-[O-:10].[F:9]-[C:20](-[C:13](=[O:12])-[O:14]-[C:15](=[O:11])-[C:16](-[F:17])(-[F:18])-[F:19])(-[F:21])-[F:22]	1	26877
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+[N:1](-[C:2](-[C:3])-[C:4])-[c:5]>>[N:1]-[c:5].[C:2](-[C:3])(-[C:4])-[I:6]	1	26904
+[C:1]-[C:2](-[C:3])-[N:4]-1-[N:5]=[C:6](-[c:7])-[c:8]:2:[c:9](:[c:10]:[c:11]:[c:12]:[n:13]:2)-[C:14]-1=[O:15]>>[C:1]-[C:2](-[C:3])-[I:16].[n:4]:1:[n:5]:[c:6](-[c:7]):[c:8]:2:[c:9](:[c:10]:[c:11]:[c:12]:[n:13]:2):[c:14]:1-[O:15]	1	26910
+[C:1]-[C:2](-[C:3])-[O:4]-[c:5](:[n:6]):[c:7]>>[C:1]-[C:2](-[C:3])-[I:8].[O:4]-[c:5](:[n:6]):[c:7]	1	26913
+[C:1]-[C:2](-[C:3])-[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[n:8]>>[C:1]-[C:2](-[C:3])-[I:10].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[n:8]	1	26916
+[c:1]:1:[c:2]:[c:4](:[c:3]):[n:5]:[n:6]:1-[C:7](-[C:8])-[C:9]>>[C:7](-[C:8])(-[C:9])-[I:10].[c:1]:1:[c:2]:[c:4](:[c:3]):[n:5]:[n:6]:1	1	26921
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+[C:1]-[C:2](-[C:3])-[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:1>>[C:1]-[C:2](-[C:3])-[I:9].[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:1	1	26934
+[C:1]-[C:2](-[C:3])-[N:4]-1-[N:5]=[C:6](-[c:7](:[c:8]:[n:9]):[c:11]:[n:10])-[C:12]=[C:13]-[C:14]-1=[O:15]>>[C:1]-[C:2](-[C:3])-[I:16].[n:4]:1:[n:5]:[c:6](-[c:7](:[c:8]:[n:9]):[c:11]:[n:10]):[c:12]:[c:13]:[c:14]:1-[O:15]	1	26935
+[C:1]-[C:2](-[C:3])-[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[c:8]>>[C:1]-[C:2](-[C:3])-[I:10].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:9]:1:[c:8]	1	26937
+[C:1]-[C:2](-[C:3])-[N:4]-1-[C:5]=[C:6](-[C:7]=[C:8](-[O:9])-[C:10]-1=[O:11])-[Br:12]>>[C:1]-[C:2](-[C:3])-[I:13].[n:4]:1:[c:5]:[c:6](:[c:7]:[c:8](-[O:9]):[c:10]:1-[O:11])-[Br:12]	1	26939
+[C:1]-[C:2](-[C:3])-[N:4]-1-[C:5](=[O:6])-[N:7]-[c:8](:[n:9]):[c:10]-1>>[C:1]-[C:2](-[C:3])-[I:11].[N:4]-1-[C:5](=[O:6])-[N:7]-[c:8](:[n:9]):[c:10]-1	1	26940
+[C:1]-[C:2](-[C:3])-[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:1:[n:9]>>[C:1]-[C:2](-[C:3])-[I:10].[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:1:[n:9]	1	26941
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+[C:1]-[N:2]-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[I:9]	1	26975
+[c:1]-[N:5](-[C:3](-[C:2]=[O:8])=[O:4])-[C:6]-[C:7]>>[C:6](-[C:7])-[Cl:9].[c:1]-[N:5]-[C:3](-[C:2]=[O:8])=[O:4]	1	26990
+[c:1]-[C:2](=[N:3]-[N:4]-[C:5](-[N:6])=[O:7])-[C:8](=[O:9])-[N:10]>>[c:1]-[C:2](-[C:8](=[O:9])-[N:10])=[O:11].[N:3]-[N:4]-[C:5](-[N:6])=[O:7]	1	26991
+[n:1]:[c:2](-[N:3]):[c:4]:[n:5]>>[n:1]:[c:2](-[N:3]=[C:9]-[N:7](-[C:6])-[C:8]):[c:4]:[n:5]	1	27002
+[S:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[N:5].[S:1]=[C:9](-[O:8]-[C:7]-[C:6])-[S:10]	1	27009
+[N:1]-[C:7](=[C:5](-[C:3](-[N:2])=[O:4])-[O:6])-[C:8]>>[N:1]-[C:7](=[C:5](-[C:3](-[N:2])=[O:4])-[O:6]-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1)-[C:8]	1	27018
+[C:1]-[C:2](=[O:3])-[N:4](-[C:5])-[c:6](:[c:7]:[n:8]):[c:10]:[n:9]>>[C:1]-[C:2](=[O:3])-[N:4]-[c:6](:[c:7]:[n:8]):[c:10]:[n:9].[C:5]-[O:19]-[S:16](-[c:15]:1:[c:14]:[c:13]:[c:12](-[C:11]):[c:21]:[c:20]:1)(=[O:17])=[O:18]	1	27024
+[c:1]-[N:2]-1-[C:3]-[C:4](-[C:5](=[O:6])-[O:10])-[O:7]-[C:8]-1=[O:9]>>[c:1]-[N:2]-[C:3]-[C:4](-[C:5](=[O:6])-[O:10])-[O:7].[C:8](=[O:9])(-[n:12]:1:[c:11]:[c:20]:[n:19]:[c:18]:1)-[n:13]:2:[c:14]:[c:15]:[n:16]:[c:17]:2	1	27060
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1-[C:10]):[c:8]>>[C:1]-[N:2]=[C:3]=[S:11].[N:4]-[c:5](:[c:6](:[c:7])-[N:9]-[C:10]):[c:8]	1	27072
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[s:7]:1):[c:8]:[n:9]>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[s:7]:1)-[Cl:19].[c:1]:[c:2](:[c:8]:[n:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18]	1	27082
+[n:1]:[c:2](-[C:3]=[O:4]):[n:5]>>[n:1]:[c:2](-[C:3](=[O:4])-[O:8]-[C:7]-[C:6]):[n:5]	1	27090
+[N:1]-[C:2](=[C:3](-[c:4](:[c:5]):[c:6])-[C:7](=[O:8])-[N:9])-[N:10]>>[N:1]-[C:2](=[C:3](-[C:7](=[O:8])-[N:9])-[Br:11])-[N:10].[c:4](:[c:5])(:[c:6])-[B:13](-[O:12])-[O:14]	1	27096
+[C:1]-[N:2]-1-[N:3]=[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])-[C:9]-[C:10]-1=[O:11]>>[C:1]-[N:2]-[N:3].[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])(-[C:9]-[C:10](=[O:11])-[O:14]-[C:13]-[C:12])=[O:15]	1	27108
+[n:1]:[c:2]-1:[c:3]-[N:4]=[C:5](-[C:6])-[C:7](=[O:8])-[N:9]-1-[C:10]>>[n:1]:[c:2](:[c:3]-[N:4])-[N:9]-[C:10].[C:5](-[C:6])(-[C:7](=[O:8])-[O:13]-[C:12]-[C:11])=[O:14]	1	27138
+[c:1]:[c:2](-[C:3](-[N:4])=[N:5]-[O:6]):[n:7]>>[c:1]:[c:2](-[C:3]#[N:4]):[n:7].[N:5]-[O:6]	1	27143
+[C:1]-[C:2](=[O:3])-[O:4]>>[O:4]-[C:6](-[C:5])-[C:7].[C:1]-[C:2]=[O:3]	1	27153
+[C:1]-[C:2](=[O:3])-[O:4]>>[O:4]-[C:6](-[C:5])-[C:7].[C:1]-[C:2]-[O:3]	1	27155
+[C:1](=[O:2])(-[C:3])-[O:4]>>[O:4]-[C:7](-[C:6])-[C:8].[C:1](-[C:3])#[N:5].[O:2]	1	27156
+[C:1]-[C:2](-[C:3])-[O:4]-[c:5]:1:[c:6]:[c:7](-[N:8]):[n:9]:[n:10]:1>>[C:1]-[C:2](-[C:3])-[O:11].[O:4]=[C:5]-1-[C:6]-[C:7](=[N:8])-[N:9]-[N:10]-1	1	27159
+[C:1]-[O:2]-[c:3](:[c:4]):[n:9](:[c:6]:[c:5]):[c:8]:[c:7]>>[C:1]-[O:2].[c:3](:[c:4])(:[n:9](:[c:6]:[c:5]):[c:8]:[c:7])-[F:10]	1	27162
+[c:1]:1:[c:2]:[c:3](-[O:4]-[C:5]):[n:6]:[c:7]:[n:8]:1>>[O:4]-[C:5].[c:1]:1:[c:2]:[c:3](:[n:6]:[c:7]:[n:8]:1)-[S:10]-[C:9]	1	27171
+[C:1]-[C:2](-[C:3])-[O:4]-[C:5]=[O:6]>>[C:1]-[C:2](-[C:3])-[O:7].[O:4]-[C:5]=[O:6]	1	27174
+[O:1]-[B:2](-[O:3])-[c:4]:1:[c:5]:[c:6]:[c:7](:[c:8]):[o:9]:1>>[O:1](-[B:2](-[O:3]-[C:17](-[C:18])-[C:19])-[O:13]-[C:11](-[C:10])-[C:12])-[C:14](-[C:15])-[C:16].[c:4]:1:[c:5]:[c:6]:[c:7](:[c:8]):[o:9]:1	1	27184
+[c:1]:1(:[c:2]:[c:3]:[c:4](:[c:5]):[s:6]:1)-[B:8](-[O:7])-[O:9]>>[O:7](-[B:8](-[O:9]-[C:17](-[C:18])-[C:19])-[O:13]-[C:11](-[C:10])-[C:12])-[C:14](-[C:15])-[C:16].[c:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[s:6]:1	1	27196
+[C:1](-[c:2])-[O:3]>>[C:1](-[c:2])(=[O:3])-[O:7]-[C:5](-[C:4])-[C:6]	1	27239
+[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1-[C:6](-[C:7])-[c:8]>>[c:1]:1:[c:2]:[n:3]:[c:4]:[n:5]:1.[C:6](-[C:7])(-[c:8])-[O:9]	1	27241
+[c:1]-[N:2]=[C:3](-[C:4])-[c:5]>>[c:1]-[N:2].[C:3](-[C:4])(-[c:5])=[O:6]	1	27249
+[c:1]-[N:2]-[C:3](-[C:4])-[c:5]>>[c:1]-[N:2]=[C:3](-[C:4])-[c:5]	1	27250
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+[C:1]-[C:2]-[N:3](-[C:4](=[O:5])-[O:6])-[c:7]>>[N:3](-[C:4](=[O:5])-[O:6])-[c:7].[C:1]-[C:2]-[Br:8]	1	27262
+[O:1]-[C:2]=[O:3]>>[O:1](-[C:2]=[O:3])-[C:5](-[C:4])-[C:6]	1	27269
+[c:1](:[c:2]:[c:3](-[N:4]-1-[C:5]=[C:6]-[C:7]=[C:8]-[C:9]-1=[O:10]):[c:11]):[n:12]>>[c:1](:[c:2]:[c:3](:[c:11])-[Br:13]):[n:12].[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[O:10]	1	27279
+[C:1]-[N:2]-1-[C:3]-[C:4]-[C:5]-1>>[C:1]-[N:2]-[C:3]-[C:4]-[C:5]-[Cl:6]	1	27293
+[N:1]-1-[C:2]-[C:3](=[C:4](-[C:5])-[N:7](-[C:8])-[C:9]-1=[O:10])-[C:6]>>[C:8]-[I:11].[N:1]-1-[C:2]-[C:3](=[C:4](-[C:5])-[N:7]-[C:9]-1=[O:10])-[C:6]	1	27307
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+[c:1](-[c:2]:1:[n:3]:[c:4](-[c:5]:[c:7]:[n:6]):[n:8]:[o:9]:1):[c:10]:[n:11]>>[c:1](-[C:2](=[O:12])-[O:13]):[c:10]:[n:11].[N:3]=[C:4](-[c:5]:[c:7]:[n:6])-[N:8]-[O:9]	1	27317
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]:[c:8]:[n:7]):[n:9]:1>>[O:4]-[C:5](-[c:6]:[c:8]:[n:7])=[O:10].[c:1]-[C:2](-[N:3]-[O:11])=[N:9]	1	27319
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+[c:1]:[c:2](-[O:3]):[n:4]>>[c:1]:[c:2](-[O:3]-[C:6](-[C:5])=[O:7]):[n:4]	1	27337
+[c:1]:[c:2](-[C:3](-[c:4](:[c:5]):[c:6])-[O:8]):[s:7]>>[c:4](:[c:5])(:[c:6])-[Br:9].[c:1]:[c:2](-[C:3]=[O:8]):[s:7]	1	27343
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[Cl:10].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[B:12](-[O:11])-[O:13]	1	27347
+[N:1]-[C:9](-[N:8]-[C:5](=[C:4](-[C:2](=[O:3])-[O:11])-[C:7])-[C:6])=[O:10]>>[N:1]-[C:9](-[N:8])=[O:10].[C:2](=[O:3])(-[C:4](-[C:5](-[C:6])=[O:12])-[C:7])-[O:11]	1	27350
+[C:1]=[C:2]-[C:3]-[C:4](-[N:5](-[C:6])-[C:7])-[C:8]>>[C:1]=[C:2]-[C:3]-[C:4](-[C:8])=[O:9].[N:5](-[C:6])-[C:7]	1	27354
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:7]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1.[C:7]-[O:12]-[C:10](-[O:9]-[C:8])=[O:11]	1	27369
+[c:1]:[c:2](-[C:3]-[C:4]-[C:5](=[O:6])-[O:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[Br:11].[C:3](-[C:4]-[C:5](=[O:6])-[O:7])-[Zn:10]-[Br:9]	1	27374
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]):[n:7]:1>>[O:4]=[C:5](-[c:6])-[Cl:8].[c:1]-[C:2](-[N:3]-[O:9])=[N:7]	1	27382
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]:[c:6]:[o:7]):[n:8]:[o:9]:1>>[c:1]-[C:2](=[O:10])-[O:11].[N:3]=[C:4](-[c:5]:[c:6]:[o:7])-[N:8]-[O:9]	1	27383
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]):[c:7]:1:[c:8]>>[c:1]:[c:2](-[N:3]):[c:7](-[C:5]#[N:6]):[c:8].[N:4](=[O:9])-[O:10]	1	27391
+[C:1](=[O:2])-[N:3]-1-[C:4]-[c:5]:[c:6]-[C:7]-1>>[C:1](=[O:2])-[N:3].[C:4](-[c:5]:[c:6]-[C:7]-[Br:9])-[Br:8]	1	27393
+[c:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[c:1]-[C:2](=[O:3])-[N:9](-[C:8]-[C:7])-[C:10]-[C:11].[c:4](:[c:5]):[c:6]	1	27424
+[c:1]:1:[c:2]:[c:3]:[n:4](-[C:5]-[C:6]):[c:7]:1:[c:8]:[n:9]>>[c:1]:1:[c:2]:[c:3]:[n:4]:[c:7]:1:[c:8]:[n:9].[C:5](-[C:6])-[Br:10]	1	27444
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]-[c:7]):[c:8]:1>>[N:6]-[c:7].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:8]:1)-[Br:9]	1	27473
+[c:1]-[C:2](-[C:3](-[C:4])-[C:5])(-[C:6])-[O:7]>>[C:3](-[C:4])(-[C:5])-[Mg:9]-[Cl:8].[c:1]-[C:2](-[C:6])=[O:7]	1	27495
+[c:1]:[c:3](:[c:2])-[Si:4](-[C:5])-[C:6]>>[Si:4](-[C:5])(-[C:6])-[Cl:8].[c:1]:[c:3](:[c:2])-[Br:7]	1	27498
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+[c:1]:1:[c:2]:[n:3](:[c:4](:[n:5]):[c:6]:1)-[Si:8](-[C:7])(-[C:9])-[C:10]>>[C:7]-[Si:8](-[C:9])(-[C:10])-[Cl:11].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:5]):[c:6]:1	1	27507
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[Si:7](-[C:8])(-[C:9])-[C:10]>>[Si:7](-[C:8])(-[C:9])(-[C:10])-[Cl:11].[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1	1	27509
+[C:1]-1=[N:2]-[O:3]-[C:4](=[O:5])-[N:6]-1-[c:7]>>[C:1](=[N:2]-[O:3])-[N:6]-[c:7].[C:4](=[O:5])(-[n:10]:1:[c:9]:[c:8]:[n:17]:[c:16]:1)-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	1	27539
+[C:1]-[Si:2](-[C:3])(-[C:4])-[n:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:1>>[C:1]-[Si:2](-[C:3])(-[C:4])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17].[n:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:1	1	27543
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[O:6]):[n:7]:[c:8]:1:[c:9]>>[c:1]:[c:2](-[N:3]):[c:8](-[N:7]):[c:9].[C:4](-[C:5](=[O:6])-[O:12]-[C:11]-[C:10])=[O:13]	1	27545
+[c:1]-[O:2]>>[c:1]-[O:2]-[Si:6](-[C:4](-[C:3])-[C:5])(-[C:7](-[C:8])-[C:9])-[C:10](-[C:11])-[C:12]	1	27549
+[c:1]:1:[c:2]:[n:3]:[c:4]:[o:5]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[o:5]:1)-[Si:9](-[C:7](-[C:6])-[C:8])(-[C:10](-[C:11])-[C:12])-[C:13](-[C:14])-[C:15]	1	27552
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6]:[o:7]:1):[c:8]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[o:7]:1)-[B:10]-2-[O:11]-[C:12](-[C:13])(-[C:14])-[C:15](-[C:16])(-[C:17])-[O:18]-2.[c:1]:[c:2](:[c:8])-[Br:9]	1	27553
+[c:1](:[c:2](-[C:3](-[c:4]:[c:5]:[n:6])-[O:9]):[c:7]):[n:8]>>[C:3](-[c:4]:[c:5]:[n:6])=[O:9].[c:1](:[c:2](:[c:7])-[Br:10]):[n:8]	1	27554
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1>>[c:1]:1:[c:2]:[n:3](:[c:4]:[c:5]:1)-[Si:10](-[C:8](-[C:7])-[C:9])(-[C:11](-[C:12])-[C:13])-[C:14](-[C:6])-[C:15]	1	27558
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[Si:9](-[C:7](-[C:6])-[C:8])(-[C:10](-[C:11])-[C:12])-[C:13](-[C:14])-[C:15]	1	27560
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:1:[c:6]>>[c:1]:1:[c:2]:[c:3]:[n:4](:[c:5]:1:[c:6])-[Si:10](-[C:8](-[C:7])-[C:9])(-[C:11](-[C:12])-[C:13])-[C:14](-[C:15])-[C:16]	1	27561
+[C:1]-[Si:2](-[C:3])(-[O:4]-[C:5])-[O:11]-[Si:8](-[O:7]-[C:6])(-[C:9])-[C:10]>>[C:1]-[Si:2](-[C:3])(-[O:11]-[Si:8](-[C:9])(-[C:10])-[Cl:13])-[Cl:12].[O:4]-[C:5].[C:6]-[O:7]	1	27565
+[c:1]:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1):[c:11]):[c:12]>>[c:5](:[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1)(:[c:11])-[B:15](-[O:14])-[O:16].[c:1]:[c:2]:[n:3]:[c:4](:[c:12])-[Cl:13]	1	27614
+[N:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6]>>[N:1]-[N:2].[C:3](=[O:4])=[N:5]-[c:6]	1	27671
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2]#[N:3].[O:4]-[C:6]-[C:5]	1	27677
+[c:1]-[C:2]-[P:3](=[O:4])(-[O:5])-[O:6]>>[c:1]-[C:2]-[Br:7].[P:3](-[O:4])(-[O:5])-[O:6]	1	27697
+[N:1](-[c:2](:[c:3]):[c:5]:[n:4])-[C:15](=[O:14])-[O:16]-[C:17]>>[c:2](:[c:3])(:[c:5]:[n:4])-[C:15](=[O:14])-[O:18].[N:1](=[N+:20]=[N-:19])-[P:21](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(=[O:22])-[c:23]:2:[c:7]:[c:6]:[c:26]:[c:25]:[c:24]:2.[O:16]-[C:17]	1	27732
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:8]:[n:7]):[c:9]:[n:10]:1>>[c:5](:[c:6])(:[c:8]:[n:7])-[B:13](-[O:12])-[O:14].[c:1]:1:[c:2]:[n:3]:[c:4](:[c:9]:[n:10]:1)-[Br:11]	1	27740
+[c:1]:[c:2](-[N:3](-[c:4])-[C:7](-[C:6])=[O:8]):[c:5]>>[c:1]:[c:2](:[c:5])-[I:9].[N:3](-[c:4])-[C:7](-[C:6])=[O:8]	1	27753
+[c:1]:[c:2](-[n:3]:1:[c:4](:[c:5]):[c:6]:[c:7]:[c:8]:1:[c:9]):[c:10]>>[c:1]:[c:2](:[c:10])-[Br:11].[n:3]:1:[c:4](:[c:5]):[c:6]:[c:7]:[c:8]:1:[c:9]	1	27757
+[N:1]-[C:6](-[C:3](-[C:2])-[C:4]-[c:5])=[O:7]>>[N:1]-[C:6](-[C:3]-[C:2])=[O:7].[C:4](-[c:5])-[Cl:8]	1	27798
+[n:1]:[c:2](-[C:3]-[N:4]-[C:5]):[c:6]:[s:7]>>[n:1]:[c:2](-[C:3]-[Cl:8]):[c:6]:[s:7].[N:4]-[C:5]	1	27807
+[c:1]:[c:2]:1:[c:3]:[c:4]:[n:5]:[n:6]:1>>[c:1]:[c:2]:1:[c:3](:[c:4]:[n:5]:[n:6]:1)-[C:8](=[O:7])-[O:9]	1	27816
+[C:1]-[S:2]-[c:3](:[c:4]):[n:8](:[c:6]:[c:5]):[c:7]>>[c:3](:[c:4])(:[n:8](:[c:6]:[c:5]):[c:7])-[Cl:9].[C:1]-[S:2]	1	27820
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[c:5](-[c:6]):[n:7]:[c:8]:2:[c:9]:1:[c:10]:[n:11]:[n:12]:2)-[O:13]>>[N:7]-[c:8]:1:[c:9]:[c:10]:[n:11]:[n:12]:1.[C:1](=[O:2])(-[C:3](-[C:4]-[C:5](-[c:6])=[O:15])=[O:14])-[O:13]	1	27836
+[C:1]-[O:2]-[N:3]-[C:4](=[O:5])-[c:6]>>[C:4](=[O:5])(-[c:6])-[O:10].[C:1](-[C:8]-[Cl:7])-[Cl:9].[O:2]-[n:3]:1:[c:14]:2:[c:13]:[c:12]:[c:11]:[c:16]:[c:15]:2:[n:17]:[n:18]:1	1	27838
+[C:1](=[O:2])(-[c:3])-[O:4]>>[C:1](-[c:3])#[N:10].[O:2]=[C:8](-[O:7]-[C:6]-[C:5])-[C:9].[O:4]	1	27839
+[N:1]-[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6](-[c:7](:[c:8]:[n:9]):[n:10]):[n:11]:1>>[C:4](=[C:5]-[C:6](-[c:7](:[c:8]:[n:9]):[n:10])=[O:15])-[N:13](-[C:12])-[C:14].[N:1]-[C:2](=[N:3])-[N:11]	1	27882
+[c:1]:[c:2](-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]):[n:8]:[c:9]:[c:10]>>[c:1]:[c:2](:[n:8]:[c:9]:[c:10])-[Br:11].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[B:13](-[O:12])-[O:14]	1	27900
+[c:1]-[C:2](=[O:3])-[N:4]-[C:5]>>[c:1]-[C:2](=[O:3])-[O:8]-[C:7]-[C:6].[N:4]-[C:5]	1	27901
+[C:1]-[C:2]-1-[O:3]-[C:4]-1(-[C:5])-[C:6]>>[C:1]-[C:2]=[C:4](-[C:5])-[C:6].[O:3]-[O:10]-[C:8](-[C:7])=[O:9]	1	27911
+[C:1]-[n:2]:1:[c:3](-[C:4]):[c:5]:[c:6]:[c:7]:1-[C:8]>>[C:3](-[C:4])(-[C:5]-[C:6]-[C:7](-[C:8])=[O:10])=[O:9].[C:1]-[N:2]	1	27913
+[n:1]:1(-[c:2](:[n:3]):[c:4]):[c:6](-[C:5]):[c:7]:[c:8]:[c:9]:1-[C:10]>>[C:5]-[C:6](-[C:7]-[C:8]-[C:9](-[C:10])=[O:12])=[O:11].[N:1]-[c:2](:[n:3]):[c:4]	1	27917
+[C:1]-[C:2](=[C:3]-[C:4](-[C:5])=[O:7])-[C:6]>>[C:1]-[C:2](=[C:3]-[C:4]-[C:5])-[C:6].[O:7]=[C:9](-[C:8])-[O:10]	1	27940
+[c:1]-[N:2](-[c:3])-[c:4](:[c:5]):[c:6]>>[c:4](:[c:5])(:[c:6])-[I:7].[c:1]-[N:2]-[c:3]	1	27962
+[c:1]:[c:2](:[c:3])-[I:4]>>[I:4]-[N:10]-1-[C:8](-[C:6](-[C:5])(-[C:7])-[N:13](-[C:11]-1=[O:12])-[I:14])=[O:9].[c:1]:[c:2]:[c:3]	1	27970
+[O:1]-[c:2].[c:3]-[C:4]-[O:5]>>[O:1](-[c:2])-[C:4](-[c:3])=[O:5]	1	27973
+[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[B:8](-[O:7])-[O:9]>>[c:1]:1:[c:2](:[c:3]:[c:4]:[n:5]:[c:6]:1)-[Cl:25].[O:7]-1-[B:8](-[O:9]-[C:18](-[C:15]-1(-[C:16])-[C:17])(-[C:19])-[C:20])-[B:14]-2-[O:13]-[C:11](-[C:10])(-[C:12])-[C:22](-[O:21]-2)(-[C:23])-[C:24]	1	27991
+[n:1]:[c:2]:[c:3](:[c:4])-[B:7](-[O:6])-[O:8]>>[C:5]-[C:15]-1(-[C:10](-[C:9])(-[C:11])-[O:12]-[B:13](-[B:7](-[O:6])-[O:8])-[O:14]-1)-[C:16].[n:1]:[c:2]:[c:3]:[c:4]	1	28046
+[N:1]-1-[C:2]=[C:3](-[C:4](=[C:5](-[C:6])-[C:8]-1)-[C:7])-[B:10](-[O:9])-[O:11]>>[O:9]-[B:10](-[O:11])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21].[N:1]-1-[C:2]=[C:3](-[C:4](=[C:5](-[C:6])-[C:8]-1)-[C:7])-[Br:12]	1	28049
+[C:1]-[C:2]-1=[C:3](-[C:4]=[C:5]-[C:6]-[N:7]-1)-[B:9](-[O:8])-[O:10]>>[O:8]-[B:9](-[O:10])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[C:1]-[C:2]-1=[C:3](-[C:4]=[C:5]-[C:6]-[N:7]-1)-[Br:11]	1	28050
+[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1)-[B:7](-[O:6])-[O:8]>>[O:6]-[B:7](-[O:8])-[B:17]-1-[O:16]-[C:14](-[C:9](-[C:10])(-[C:11])-[O:18]-1)(-[C:13])-[C:15].[c:1]:1:[c:2]:[s:3]:[c:4](:[c:5]:1)-[Br:12]	1	28057
+[c:1]:[c:2](:[c:3]:[n:4])-[B:6](-[O:5])-[O:7]>>[O:5]-[B:6](-[O:7])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16].[c:1]:[c:2](:[c:3]:[n:4])-[Cl:17]	1	28059
+[C:1]-1(=[C:2]-[N:3]-[C:4]-[C:5]=[C:6]-1)-[B:8](-[O:7])-[O:9]>>[O:7]-[B:8](-[O:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[C:1]-1(=[C:2]-[N:3]-[C:4]-[C:5]=[C:6]-1)-[Br:10]	1	28077
+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5]:1)-[B:7](-[O:6])-[O:8]>>[O:6]-[B:7](-[O:8])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1	1	28123
+[c:1](:[c:2]:[c:3](:[c:4])-[B:7](-[O:6])-[O:8]):[s:5]>>[O:6]-[B:7](-[O:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:1](:[c:2]:[c:3](:[c:4])-[Br:9]):[s:5]	1	28180
+[n:1]:[c:2]:1:[c:3]:[c:4](-[B:5](-[O:6])-[O:7]):[c:8]:[n:9]:1>>[B:5](-[O:6])(-[O:7])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[n:1]:[c:2]:1:[c:3]:[c:4](:[c:8]:[n:9]:1)-[Br:10]	1	28200
+[c:1](:[c:2]:[n:9])-[C:5](=[C:4]-[N:3])-[B:6](-[O:7])-[O:8]>>[B:6](-[O:7])(-[O:8])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:1](:[c:2]:[n:9])-[C:5](=[C:4]-[N:3])-[Br:10]	1	28264
+[n:1]:[c:2]:[c:3](-[B:4](-[O:5])-[O:6]):[c:7]:[n:8]>>[B:4](-[O:5])(-[O:6])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[n:1]:[c:2]:[c:3](:[c:7]:[n:8])-[Br:9]	1	28278
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]>>[C:1]-[C:2]=[C:3](-[C:7])-[B:18]-1-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-1)(-[C:21])-[C:22].[c:4](:[c:5])(:[c:6])-[O:9]-[S:24](=[O:8])(-[C:10](-[F:11])(-[F:12])-[F:13])=[O:23]	1	28284
+[c:1]:1:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[o:7]:[n:8]:[c:9]:1>>[C:3](=[C:4]-[C:5])(-[C:6])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:1]:1:[c:2](:[o:7]:[n:8]:[c:9]:1)-[Br:10]	1	28285
+[C:1]=[C:2](-[c:3](:[c:4]):[c:5])-[C:6](=[O:7])-[N:8]>>[C:1]=[C:2](-[C:6](=[O:7])-[N:8])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[c:3](:[c:4])(:[c:5])-[I:18]	1	28287
+[n:1]:[c:2]:[c:3](-[C:4](=[C:5]-[C:6])-[C:7]):[c:8]>>[C:4](=[C:5]-[C:6])(-[C:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[n:1]:[c:2]:[c:3](:[c:8])-[I:18]	1	28293
+[c:1]:[c:3](:[c:2])-[C:4]=[C:5]-[C:6]>>[C:4](=[C:5]-[C:6])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[C:7])(-[O:14]-1)-[C:16].[c:1]:[c:3](:[c:2])-[Br:8]	1	28296
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[B:6](-[O:7])-[O:8]>>[B:6](-[O:7])(-[O:8])-[O:12]-[C:10](-[C:9])-[C:11].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[I:13]	1	28307
+[c:1]:[c:2](:[c:3])-[B:5](-[O:4])-[O:6]>>[O:4]-[B:5](-[O:6])-[O:10]-[C:8](-[C:7])-[C:9].[c:1]:[c:2](:[c:3])-[I:11]	1	28312
+[c:1]-[C:2](-[C:3])(-[C:4])-[O:5]-[B:6]-[O:7]>>[c:1]-[C:2](-[C:3])(-[C:4])-[O:12]-[C:11]-[O:10]-[C:9]-[C:8].[O:5]-1-[B:6]-[O:7]-[C:16](-[C:13]-1(-[C:14])-[C:15])(-[C:17])-[C:18]	1	28313
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[s:6]:[c:7]:[c:8]:1>>[c:1]:1:[c:2](:[s:6]:[c:7]:[c:8]:1)-[B:14]-2-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-2)(-[C:17])-[C:18].[c:3](:[c:4])(:[c:5])-[Br:9]	1	28316
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[n:5]:[c:6]:1):[c:7](-[N:8]):[n:9]:[c:10](:[c:11]:2:[c:12]):[c:13]>>[N:9]-[c:10](:[c:11](:[c:12])-[B:14]-1-[O:15]-[C:16](-[C:17])(-[C:18])-[C:19](-[C:20])(-[C:21])-[O:22]-1):[c:13].[c:1]:1:[c:2]:[c:3](:[c:4](:[n:5]:[c:6]:1)-[C:7]#[N:8])-[Cl:23]	1	28323
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[n:5]:[c:6]:1):[c:7](-[N:8]):[n:9]:[c:10](:[c:11]:2:[c:12]):[c:13]>>[N:9](-[c:10](:[c:11](:[c:12])-[B:21]-1-[O:22]-[C:23](-[C:24])(-[C:25])-[C:26](-[C:27])(-[C:28])-[O:29]-1):[c:13])-[C:19](-[O:18]-[C:15](-[C:14])(-[C:16])-[C:17])=[O:20].[c:1]:1:[c:2]:[c:3](:[c:4](:[n:5]:[c:6]:1)-[C:7]#[N:8])-[Cl:30]	1	28332
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:9]:[c:8]:[n:10]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19].[c:6](:[c:7])(:[c:9]:[c:8]:[n:10])-[Cl:20]	1	28339
+[n:1]:[c:2](:[c:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1):[c:9]):[c:10]>>[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[B:19]-2-[O:18]-[C:16](-[C:11](-[C:12])(-[C:13])-[O:20]-2)(-[C:15])-[C:17].[n:1]:[c:2](:[c:3](:[c:9])-[Br:14]):[c:10]	1	28340
+[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[c:6](:[c:7]):[c:8]>>[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[B:11]-2-[O:10]-[C:18](-[C:9])(-[C:13](-[O:12]-2)(-[C:14])-[C:15])-[C:17].[c:6](:[c:7])(:[c:8])-[Br:16]	1	28341
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2):[c:11]):[n:12]:[c:13]:1>>[c:5](:[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1)(:[c:11])-[B:18]-2-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-2)(-[C:21])-[C:22].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:12]:[c:13]:1)-[Cl:23]	1	28344
+[n:1]:[c:2](:[c:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1):[c:9]):[c:10]>>[n:1]:[c:2](:[c:3](:[c:9])-[B:19]-1-[O:18]-[C:16](-[C:11](-[C:12])(-[C:13])-[O:20]-1)(-[C:15])-[C:17]):[c:10].[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[Br:14]	1	28345
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:19]	1	28356
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[n:9]:1>>[c:5](:[c:6])(:[c:7])-[B:10]-1-[O:11]-[C:12](-[C:13])(-[C:14])-[C:17](-[C:16])(-[C:18])-[O:19]-1.[c:1]:1:[c:2]:[n:3]:[c:4](:[c:8]:[n:9]:1)-[I:15]	1	28357
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6]:2:[c:7]:[n:8]:[c:9](:[c:10]):[n:13]:2:[c:12]:[c:11]):[c:14]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:14]:1)-[B:20]-2-[O:19]-[C:17](-[C:16])(-[C:18])-[C:22](-[O:21]-2)(-[C:23])-[C:24].[c:6]:1(:[c:7]:[n:8]:[c:9](:[c:10]):[n:13]:1:[c:12]:[c:11])-[Br:15]	1	28362
+[c:1]:[c:2](-[C:3](=[C:4])-[C:6](-[N:5])=[O:7]):[c:8]>>[c:1]:[c:2](:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[C:3](=[C:4])(-[C:6](-[N:5])=[O:7])-[Br:9]	1	28370
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]:[n:7]>>[c:3](:[c:4])(:[c:5])-[B:23]-1-[O:22]-[C:20](-[C:8](-[C:9])(-[C:10])-[O:24]-1)(-[C:19])-[C:21].[c:1]:[c:2](:[c:6]:[n:7])-[O:14]-[S:12](=[O:11])(=[O:13])-[C:15](-[F:16])(-[F:17])-[F:18]	1	28371
+[C:1]-[C:5](-[c:3]:[c:2]:[s:4])-[O:6]>>[C:1]-[C:5](-[c:3]:[c:2]:[s:4])=[O:6]	1	28380
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-1-[O:6]-[B:7](-[O:8])-[c:9]:[c:10]-1>>[O:1]-[C:2](=[O:3])-[C:4]-[Br:11].[C:5](=[O:6])-[c:10]:[c:9]-[B:7]-1-[O:8]-[C:16](-[C:13](-[C:12])(-[C:14])-[O:15]-1)(-[C:17])-[C:18]	1	28384
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:11]):[c:12].[C:6]-[N:7]=[C:8](-[N:9])-[c:10]>>[n:1]:[c:2]:[c:3](:[c:12])-[B:18]-1-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-1)(-[C:21])-[C:22].[c:4](:[c:5])(:[c:11])-[Br:13].[C:6]-[N:7]-[C:8](=[N:9])-[c:10]	1	28391
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[n:6]:[c:7]:[s:8]:1):[c:9]>>[n:1]:[c:2]:[c:3](:[c:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:4]:1(:[n:5]:[n:6]:[c:7]:[s:8]:1)-[Br:10]	1	28393
+[c:1]:[c:2]:1:[n:3]:[c:4](-[B:5](-[O:6])-[O:7]):[c:8]:[c:9]:1>>[B:5](-[O:6])(-[O:7])-[c:17]:1:[c:16]:[c:15]:2:[c:14]:[c:13]:[c:12]:[c:11](-[Cl:10]):[c:19]:2:[n:18]:1.[c:1]:[c:2]:1:[n:3]:[c:4]:[c:8]:[c:9]:1	1	28407
+[C:1]-[C:2]-[C:3]>>[C:1]-[C:2](-[C:3])-[Br:4]	1	28410
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[n:8]:1):[c:9]>>[c:3]:1(:[c:4]:[c:5]:[c:6](:[c:7]):[n:8]:1)-[Br:10].[c:1]:[c:2](:[c:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]	1	28426
+[O:1]=[C:2](-[N:3]-[C:4])-[N:5]-[c:6]>>[N:5]-[c:6].[O:1]=[C:2](-[O:11]-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10])-[Cl:12].[N:3]-[C:4]	1	28437
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5](:[c:6]):[c:7]):[c:8]):[c:9]>>[c:1]:[c:2](:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:3](:[n:4]:[c:5](:[c:6]):[c:7])(:[c:8])-[Br:19]	1	28440
+[n:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]:[n:7]):[c:8]):[c:9]:1>>[c:5](:[c:6]:[n:7])(:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[n:1]:1:[c:2]:[n:3]:[c:4](:[c:9]:1)-[I:19]	1	28454
+[c:1](:[c:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8]):[s:9]>>[c:1](:[c:2]:[c:3](:[c:8])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19]):[s:9].[c:4](:[c:5]:[n:6])(:[c:7])-[Br:10]	1	28469
+[c:1]:[c:2](-[c:3]:1:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[c:11]:1):[c:12]>>[c:1]:[c:2](:[c:12])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21].[c:3]:1(:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[c:11]:1)-[I:22]	1	28471
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:9]:1:[n:8]):[c:10]>>[c:1]:[c:2](:[c:10])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:3]:1(:[c:4]:[n:5]:[c:6](:[c:7]):[n:9]:1:[n:8])-[I:20]	1	28473
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[n:6]:[c:7]:[c:8]:1):[c:9]:[n:10]>>[c:4]:1(:[n:5]:[n:6]:[c:7]:[c:8]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20].[n:1]:[c:2]:[c:3](:[c:9]:[n:10])-[Br:11]	1	28480
+[N:1]-1-[C:2]=[C:3](-[c:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:2)-[C:10]=[C:11](-[N:12])-[C:13]-1>>[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[B:19]-2-[O:18]-[C:16](-[C:15])(-[C:17])-[C:21](-[O:20]-2)(-[C:22])-[C:23].[N:1]-1-[C:2]=[C:3](-[C:10]=[C:11](-[N:12])-[C:13]-1)-[Br:14]	1	28481
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[c:6]:2:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:2>>[c:6]:1(:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20].[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[Br:21]	1	28483
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[c:5]:[n:6]:[c:7]:[c:9](:[c:8]):[n:10]:2):[c:11]:[n:12]:1>>[c:4]:1(:[c:5]:[n:6]:[c:7]:[c:9](:[c:8]):[n:10]:1)-[Br:13].[n:1]:1:[c:2]:[c:3](:[c:11]:[n:12]:1)-[B:18]-2-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-2)(-[C:21])-[C:22]	1	28493
+[c:1](:[n:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:8]:[n:7]):[c:9]):[c:10]>>[c:4](:[c:5]:[n:6])(:[c:8]:[n:7])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:1](:[n:2]:[c:3](:[c:9])-[Br:11]):[c:10]	1	28507
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]:[n:7]):[c:8]):[s:9]:1>>[c:5](:[c:6]:[n:7])(:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:1]:1:[c:2]:[c:3]:[c:4](:[s:9]:1)-[I:19]	1	28513
+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]:1>>[n:1]:1:[c:2]:[c:3](:[c:7]:[n:8]:1)-[B:13]-2-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-2)(-[C:16])-[C:17].[c:4](:[c:5])(:[c:6])-[I:18]	1	28525
+[n:1]:[c:2]:[c:3](-[c:4]:1:[c:5]:[n:6]:[c:7]:[s:8]:1):[c:9]>>[c:4]:1(:[c:5]:[n:6]:[c:7]:[s:8]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19].[n:1]:[c:2]:[c:3](:[c:9])-[Br:10]	1	28539
+[C:1]-[C:2](-[N:3]-[C:7](=[O:6])-[O:8]-[C:9]-[c:10])-[C:4]>>[C:1]-[C:2](-[C:4])-[C:7](=[O:6])-[O:8].[C:9]-[c:10].[N:3](=[N+:12]=[N-:11])-[P:13](=[O:14])(-[c:15]:1:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:1)-[c:21]:2:[c:5]:[c:25]:[c:24]:[c:23]:[c:22]:2	1	28541
+[C:1]-[C:2]>>[C:1](-[C:2])-[Cl:3]	1	28547
+[C:1]-[C:2]=[O:3]>>[C:1]-[C:2]=[C:5]-[C:4].[O:3]-[C:6]	1	28548
+[n:1]:[c:2]:[c:3](:[c:4])-[Br:5]>>[Br:5]-[N:15]-1-[C:7](-[C:6])(-[C:8])-[C:9](=[O:10])-[N:11](-[Br:12])-[C:13]-1=[O:14].[n:1]:[c:2]:[c:3]:[c:4]	1	28553
+[C:1]-[C:2](-[c:3](:[n:4]):[c:5])-[Br:6]>>[Br:6]-[N:16]-1-[C:8](-[C:7])(-[C:9])-[C:10](=[O:11])-[N:12](-[Br:13])-[C:14]-1=[O:15].[C:1]-[C:2]-[c:3](:[n:4]):[c:5]	1	28559
+[c:1](:[n:2]):[c:8]:1:[n:3]:[c:4]:[c:5]:[c:6]:1-[Br:7]>>[Br:7]-[N:12]-1-[C:10](=[O:11])-[N:18](-[Br:9])-[C:16](-[C:14]-1(-[C:13])-[C:15])=[O:17].[c:1](:[n:2]):[c:8]:1:[n:3]:[c:4]:[c:5]:[c:6]:1	1	28560
+[C:1]-[C:2]-1(-[O:3])-[C:4]-[C:5]-1>>[C:1]-[C:2](=[O:3])-[O:9]-[C:8].[C:4](-[C:5])-[Mg:7]-[Br:6]	1	28566
+[C:1]-[C:2](=[C:3]-[C:4])-[C:5]-[O:6]>>[C:1]-[C:2](=[C:3]-[C:4])-[C:5]=[O:6]	1	28609
+[C:1]-1-[C:2]=[C:3](-[F:4])-[C:5](-[N:6])=[N:7]-1>>[C:1]-1-[C:2]=[C:3](-[F:4])-[C:5](-[N:7]-1)=[O:8].[N:6]	1	28610
+[C:1]=[C:2]-[C:3]-[C:4](-[O:5])-[C:6]>>[C:1]=[C:2]-[C:3]-[C:4](=[O:5])-[C:6]	1	28611
+[C:1]-[C:4]-1=[C:3](-[C:2])-[N:8]-[N:7]-[C:5]-1=[O:6]>>[C:1]-[C:4](-[C:3](-[C:2])=[O:9])-[C:5](=[O:6])-[N:7]-[N:8]	1	28613
+[N:1]-[C:2](-[c:3])-[C:4]-[O:5]>>[C:2]-1(-[c:3])-[C:4]-[O:5]-1.[N:1]	1	28616
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6](-[O:7])-[C:8])-[N:9]>>[C:3](=[O:4])(-[C:5](=[C:6](-[O:7])-[C:8])-[N:9])-[O:10].[C:1]-[N:2]	1	28621
+[c:1]-[O:2]-[C:3](=[O:4])-[c:5]:[c:7]:[n:6]>>[c:1]-[O:2].[C:3](=[O:4])(-[c:5]:[c:7]:[n:6])-[O:8]	1	28625
+[c:1]:[c:2](-[C:3]#[N:4]):[n:5]:[c:6](:[c:7]):[c:8]>>[c:1]:[c:2]:[n:5]:[c:6](:[c:7]):[c:8].[C:3](#[N:4])-[C:9]	1	28635
+[C:1]-1(-[c:2])-[C:4](-[C:3])-[O:5]-1>>[C:1](-[c:2])=[C:4]-[C:3].[O:5]-[O:8]-[C:7](=[O:6])-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13](-[Cl:14]):[c:15]:1	1	28637
+[C:1]-[c:6]:1:[c:5](-[C:3](-[C:2])=[O:4]):[c:9]:[n:8]:[n:7]:1>>[C:1]-[C:6](-[C:5](-[C:3](-[C:2])=[O:4])=[C:9]-[N:11](-[C:10])-[C:12])=[O:13].[N:7]-[N:8]	1	28739
+[o:1]:[c:2]:1:[c:3](-[N:4]-[C:5]):[n:6]:[c:7]:[n:8]:[c:9]:1>>[o:1]:[c:2]:1:[c:3](:[n:6]:[c:7]:[n:8]:[c:9]:1)-[Cl:10].[N:4]-[C:5]	1	28777
+[C:1]-[C:2](=[O:3])-[c:4]>>[C:1]-[C:2]-[c:4].[O:3]=[C:6](-[C:5])-[O:7]	1	28780
+[c:1]:1:[c:2](-[N:3](-[C:4])-[c:7]:[c:5]:[n:6]):[c:8]:[c:9]:[n:10]:[c:11]:1>>[N:3](-[C:4])-[c:7]:[c:5]:[n:6].[c:1]:1:[c:2](:[c:8]:[c:9]:[n:10]:[c:11]:1)-[Cl:12]	1	28797
+[C:1]-[N:3](-[C:2])-[N:4]=[O:5]>>[C:1]-[N:3]-[C:2].[N:4](-[O:5])=[O:6]	1	28814
+[c:1]:1:[c:2]:[n:3](-[c:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:2):[c:10]:[c:11]:1>>[c:1]:1:[c:2]:[n:3]:[c:10]:[c:11]:1.[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[Cl:12]	1	28823
+[n:1]:1:[c:2]:[c:3](-[C:4](-[c:5])-[O:8]):[c:6]:[c:7]:1>>[n:1]:1:[c:2]:[c:3]:[c:6]:[c:7]:1.[C:4](-[c:5])=[O:8]	1	28828
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[c:5]:[c:7](:[c:6])-[C:8](-[c:9])=[N:10]-1>>[C:1]-[C:2](-[C:3])=[C:4]-[c:5]:[c:7]:[c:6].[C:8](-[c:9])#[N:10]	1	28861
+[c:1]:[c:2]-1:[c:3]-[C:4]-[C:5](-[C:6])(-[C:7])-[N:8]=[C:9]-1-[c:10]>>[c:1]:[c:2]:[c:3]-[C:4]-[C:5](-[C:6])-[C:7].[N:8]#[C:9]-[c:10]	1	28863
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5](=[O:6])-[N:7]>>[C:3](=[O:4])(-[C:5](=[O:6])-[N:7])-[O:8].[C:1]-[N:2]	1	28873
+[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[Cl:6])-[N:7]=[C:8]-1>>[N:1]-1-[C:2](=[O:3])-[C:4]-[C:5](-[N:7]=[C:8]-1)=[O:13].[Cl:6]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	1	28885
+[C:1]-[N:2](-[C:3])-[C:6]-[C:5](-[N:4])=[O:7]>>[C:1]-[I:8].[N:2](-[C:3])-[C:6]-[C:5](-[N:4])=[O:7]	1	28887
+[C:1]=[C:2](-[C:3])-[c:4](:[c:5]:[n:6]):[c:7]>>[C:1]=[C:2](-[C:3])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16].[c:4](:[c:5]:[n:6])(:[c:7])-[Cl:17]	1	28905
+[C:1]=[C:2](-[C:3])-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1>>[C:1]=[C:2](-[C:3])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:19]	1	28906
+[C:1](=[C:2])-[B:4](-[O:3])-[O:5]>>[C:1](=[C:2])-[B:4]-1-[O:3]-[C:7](-[C:6])(-[C:8])-[C:9](-[O:5]-1)(-[C:10])-[C:11]	1	28908
+[C:1]-[C:2]=[C:3](-[c:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[C:10]>>[C:1]-[C:2]=[C:3](-[C:10])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:4]:1(:[c:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:20]	1	28909
+[c:1]:[c:2](-[C:3](=[C:4]-[C:5])-[C:6]):[c:7]>>[C:3](=[C:4]-[C:5])(-[C:6])-[B:10]-1-[O:9]-[C:17](-[C:8])(-[C:12](-[O:11]-1)(-[C:13])-[C:14])-[C:16].[c:1]:[c:2](:[c:7])-[Cl:15]	1	28910
+[N:1]-1-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7](=[C:8](-[C:9])-[C:11]-1)-[C:10]>>[N:1]-1-[C:2]=[C:3](-[C:7](=[C:8](-[C:9])-[C:11]-1)-[C:10])-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21].[c:4](:[c:5])(:[c:6])-[Br:12]	1	28914
+[c:1]:[c:2](-[C:3]-1=[C:4]-[N:5]-[C:6]-[C:7](-[N:8])=[C:9]-1):[c:10]>>[c:1]:[c:2](:[c:10])-[Br:11].[C:3]-1(=[C:4]-[N:5]-[C:6]-[C:7](-[N:8])=[C:9]-1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20]	1	28915
+[C:1]-[C:2]=[C:3](-[c:4]:1:[n:5]:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:1)-[C:11]>>[c:4]:1(:[n:5]:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:1)-[Cl:17].[C:1]-[C:2]=[C:3](-[C:11])-[B:12]-1-[O:13]-[C:14](-[C:15])(-[C:16])-[C:19](-[C:18])(-[C:20])-[O:21]-1	1	28917
+[c:1]:1:[c:2]:[c:3](-[C:4](=[C:5]-[C:6])-[C:7]):[n:8]:[c:9]:[n:10]:1>>[C:4](=[C:5]-[C:6])(-[C:7])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:1]:1:[c:2]:[c:3](:[n:8]:[c:9]:[n:10]:1)-[Cl:20]	1	28920
+[c:1]:1:[c:2]:[c:3](-[C:4](=[C:5]-[C:6])-[C:7]):[c:8]:[c:9]:[n:10]:1>>[C:4](=[C:5]-[C:6])(-[C:7])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:1]:1:[c:2]:[c:3](:[c:8]:[c:9]:[n:10]:1)-[I:20]	1	28921
+[C:1]-[C:2]=[C:3](-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:[n:9]:1)-[C:10]>>[C:1]-[C:2]=[C:3](-[C:10])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:4]:1(:[c:5]:[n:6]:[c:7]:[c:8]:[n:9]:1)-[Br:11]	1	28924
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5](=[C:6]-[C:7])-[C:8]):[n:9]:1>>[C:5](=[C:6]-[C:7])(-[C:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:1]:1:[c:2]:[c:3]:[c:4](:[n:9]:1)-[I:19]	1	28925
+[C:1]-[C:2]=[C:3](-[c:4](:[c:5]:[n:6]):[c:8]:[n:7])-[C:9]>>[C:1]-[C:2]=[C:3](-[C:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:4](:[c:5]:[n:6])(:[c:8]:[n:7])-[Br:10]	1	28929
+[C:1]=[C:2]-[c:3](:[c:4]):[c:5]>>[C:1]=[C:2]-[B:10]-1-[O:9]-[C:7](-[C:6])(-[C:8])-[C:12](-[O:11]-1)(-[C:13])-[C:14].[c:3](:[c:4])(:[c:5])-[I:15]	1	28938
+[S:1]-[C:2]-[C:3]-1-[O:4]-[B:5](-[O:6])-[c:7]:[c:8]-1>>[C:3](=[O:4])-[c:8]:[c:7]-[B:5]-1-[O:6]-[C:13](-[C:10](-[C:9])(-[C:11])-[O:12]-1)(-[C:14])-[C:15].[S:1]-[C:2]	1	28945
+[c:1]:[c:2]:1:[n:3]:[c:4](-[N:5]):[c:6]:2:[n:7]:[c:8]:[c:9]:[c:10]:[c:11]:2:[c:12]:1:[c:13]>>[c:1]:[c:2](-[N:5]-[C:28](-[O:27]-[C:24](-[C:23])(-[C:25])-[C:26])=[O:29]):[c:12](:[c:13])-[B:30]-1-[O:14]-[C:15](-[C:16])(-[C:17])-[C:18](-[C:19])(-[C:20])-[O:21]-1.[N:3]#[C:4]-[c:6]:1:[n:7]:[c:8]:[c:9]:[c:10]:[c:11]:1-[Cl:22]	1	28959
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[c:7](:[c:8]):[c:10](:[c:9]):[s:11]>>[c:7](:[c:8])(:[c:10](:[c:9]):[s:11])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:[c:6]:1-[I:21]	1	28977
+[n:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[c:6]:2:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:2):[c:12]:1>>[n:1]:[c:2]:1:[n:3]:[c:4]:[c:5](:[c:12]:1)-[B:17]-2-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-2)(-[C:20])-[C:21].[c:6]:1(:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[I:22]	1	28978
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:[c:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:[c:8]:1)-[Cl:19]	1	28988
+[c:1]:1:[n:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:1>>[c:5](:[c:6])(:[c:7])-[B:13]-1-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-1)(-[C:16])-[C:17].[c:1]:1:[n:2]:[n:3]:[c:4](:[c:8]:1)-[O:21]-[S:19](=[O:18])(=[O:20])-[C:22](-[F:23])(-[F:24])-[F:25]	1	28997
+[c:1]:[c:2](-[O:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[B:12]-1-[O:3]-[C:5](-[C:6])(-[C:7])-[C:9](-[C:8])(-[C:10])-[O:11]-1	1	29003
+[c:1]:[c:2](-[C:3](=[N:4]-[N:5])-[c:6]):[c:7]>>[c:1]:[c:2](:[c:7])-[B:12]-1-[O:11]-[C:9](-[C:8])(-[C:10])-[C:14](-[O:13]-1)(-[C:15])-[C:16].[C:3](=[N:4]-[N:5])(-[c:6])-[Cl:17]	1	29016
+[c:1]:[c:2]:1:[s:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[c:9]:1:[n:10]>>[c:5](:[c:6])(:[c:7])-[B:16]-1-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-1)(-[C:19])-[C:20].[c:1]:[c:2]:1:[s:3]:[c:4](:[c:8]:[c:9]:1:[n:10])-[Br:11]	1	29021
+[c:1]:[c:2](-[C:3]-1=[C:4]-[N:5]-[C:6]-[C:7](-[O:8])=[C:9]-1):[c:10]>>[c:1]:[c:2](:[c:10])-[B:19]-1-[O:18]-[C:16](-[C:11](-[C:12])(-[C:13])-[O:20]-1)(-[C:15])-[C:17].[C:3]-1(=[C:4]-[N:5]-[C:6]-[C:7](-[O:8])=[C:9]-1)-[Br:14]	1	29022
+[c:1]:[c:2](-[C:3]-[c:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[B:10]-1-[O:9]-[C:7](-[C:6])(-[C:8])-[C:12](-[O:11]-1)(-[C:13])-[C:14].[C:3](-[c:4])-[Cl:15]	1	29030
+[c:1]:[c:2](-[C:3]-[c:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[B:11]-1-[O:10]-[C:8](-[C:7])(-[C:9])-[C:13](-[O:12]-1)(-[C:14])-[C:15].[C:3](-[c:4])-[Br:6]	1	29031
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]):[c:10]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[c:10]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Cl:20]	1	29042
+[N:1]-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[c:7](:[c:8]):[n:9]>>[c:4](:[c:5])(:[c:6])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[N:1]-[C:2]=[C:3](-[c:7](:[c:8]):[n:9])-[Br:10]	1	29045
+[c:1]:[c:2](-[c:3](:[n:4]:[c:5](:[c:6]):[c:7]):[c:8]):[c:9]:[n:10]>>[c:1]:[c:2](:[c:9]:[n:10])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:3](:[n:4]:[c:5](:[c:6]):[c:7])(:[c:8])-[O:23]-[S:21](=[O:20])(=[O:22])-[C:24](-[F:25])(-[F:26])-[F:27]	1	29048
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6]:2:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:2):[c:12]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:12]:1)-[B:18]-2-[O:17]-[C:15](-[C:14])(-[C:16])-[C:20](-[O:19]-2)(-[C:21])-[C:22].[c:6]:1(:[c:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Br:13]	1	29049
+[n:1]:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:[n:9]>>[n:1]:[c:2]:[c:3]:[c:4](:[c:8]:[n:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:5](:[c:6])(:[c:7])-[I:19]	1	29065
+[c:1]:[c:4](:[c:3]:[n:2])-[c:5](:[c:6]:[c:7]:[n:8]):[c:9]>>[c:5](:[c:6]:[c:7]:[n:8])(:[c:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:1]:[c:4](:[c:3]:[n:2])-[Br:10]	1	29068
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[c:8]:1:[n:9]>>[c:4](:[c:5])(:[c:6])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:1]:1:[n:2]:[c:3](:[c:7]:[c:8]:1:[n:9])-[Br:10]	1	29084
+[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5](-[c:6](:[c:7]):[c:8]):[c:9]:[n:10]):[c:11]:1>>[c:6](:[c:7])(:[c:8])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21].[n:1]:1:[n:2]:[c:3]:[c:4](:[c:5](:[c:9]:[n:10])-[Br:12]):[c:11]:1	1	29091
+[O:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[B:9]-1-[O:8]-[C:6](-[C:5])(-[C:7])-[C:11](-[O:10]-1)(-[C:12])-[C:13].[O:1]-[O:14]	1	29104
+[c:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[o:8]:1>>[c:5](:[c:6])(:[c:7])-[B:17]-1-[O:16]-[C:14](-[C:9](-[C:10])(-[C:11])-[O:18]-1)(-[C:13])-[C:15].[c:1]:1:[c:2]:[c:3]:[c:4](:[o:8]:1)-[Br:12]	1	29134
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[n:7]:[c:8]:[c:9]:1):[c:10]>>[c:1]:[c:2](:[c:10])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:3]:1(:[n:4]:[c:5](:[c:6]):[n:7]:[c:8]:[c:9]:1)-[Cl:20]	1	29135
+[n:1]:[n:2]:1:[c:3](-[c:4](:[c:5]):[c:13]):[c:14]:[n:15]:[c:16]:1:[c:17].[c:6]-[C:7]-2=[N:8]-[O:9]-[C:10](=[O:11])-[N:12]-2>>[c:4](:[c:5])(:[c:13])-[B:23]-1-[O:22]-[C:20](-[C:19])(-[C:21])-[C:25](-[O:24]-1)(-[C:26])-[C:27].[c:6]-[C:7]=2-[N:8]-[O:9]-[C:10](=[O:11])-[N:12]=2.[n:1]:[n:2]:1:[c:3](:[c:14]:[n:15]:[c:16]:1:[c:17])-[Br:18]	1	29141
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:3]:1(:[n:4]:[n:5]:[c:6]:[n:7]:1)-[Br:9]	1	29171
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1):[c:9]>>[c:1]:[c:2](:[c:9])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[Br:10]	1	29194
+[C:1]-1-[O:2]-[C:3]=[C:4](-[c:5](:[c:6]):[c:7])-[C:8]-1=[O:9]>>[c:5](:[c:6])(:[c:7])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[C:1]-1-[O:2]-[C:3]=[C:4](-[C:8]-1=[O:9])-[Br:10]	1	29196
+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7](:[c:8]:1):[c:10]:[n:9]>>[c:4](:[c:5])(:[c:6])-[B:15]-1-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-1)(-[C:18])-[C:19].[n:1]:1:[c:2]:[c:3](:[c:7](:[c:8]:1):[c:10]:[n:9])-[I:20]	1	29208
+[n:1]:[c:2]:[c:3](-[c:4]:1:[c:5]:[n:6]:[c:8](:[c:7]):[n:9]:1):[c:10]>>[n:1]:[c:2]:[c:3](:[c:10])-[B:14]-1-[O:13]-[C:11](-[C:12])(-[C:16](-[O:15]-1)(-[C:17])-[C:18])-[C:20].[c:4]:1(:[c:5]:[n:6]:[c:8](:[c:7]):[n:9]:1)-[Br:19]	1	29216
+[c:1]:1:[c:2](:[c:3]):[n:6](:[c:5]:[c:4]):[c:7](-[c:8](:[c:9]):[c:10]):[n:11]:1>>[c:8](:[c:9])(:[c:10])-[B:17]-1-[O:16]-[C:14](-[C:13])(-[C:15])-[C:19](-[O:18]-1)(-[C:20])-[C:21].[c:1]:1:[c:2](:[c:3]):[n:6](:[c:5]:[c:4]):[c:7](:[n:11]:1)-[Br:12]	1	29231
+[c:1]-[N:2]-1-[C:3](=[O:4])-[C:5]=[C:6]-2-[C:7](-[Cl:8])=[C:9]-[C:10]=[C:11]-[N:12]-2-[C:13]-1=[O:14]>>[c:1]-[N:2]-[C:3](=[O:4])-[C:5]-[c:6]:1:[c:7](-[Cl:8]):[c:9]:[c:10]:[c:11]:[n:12]:1.[C:13](=[O:14])(-[n:17]:1:[c:16]:[c:15]:[n:24]:[c:23]:1)-[n:18]:2:[c:19]:[c:20]:[n:21]:[c:22]:2	1	29234
+[c:1]:[c:2](-[C:3]-1=[C:4]-[N:5]-[C:6](=[O:7])-[C:8](-[N:9]-[c:10])=[N:11]-1):[c:12]>>[c:1]:[c:2](:[c:12])-[B:13]-1-[O:14]-[C:15](-[C:16])(-[C:17])-[C:20](-[C:19])(-[C:21])-[O:22]-1.[C:3]-1(=[C:4]-[N:5]-[C:6](=[O:7])-[C:8](=[N:9]-[c:10])-[N:11]-1)-[Br:18]	1	29243
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1):[c:8]>>[c:3]:1(:[c:4]:[n:5]:[n:6]:[c:7]:1)-[B:13]-2-[O:12]-[C:10](-[C:9])(-[C:11])-[C:15](-[O:14]-2)(-[C:16])-[C:17].[c:1]:[c:2](:[c:8])-[Cl:18]	1	29255
+[N:1]-[C:2]=[C:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)-[c:9]>>[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[B:19]-2-[O:10]-[C:11](-[C:12])(-[C:13])-[C:14](-[C:15])(-[C:16])-[O:17]-2.[N:1]-[C:2]=[C:3](-[c:9])-[Br:18]	1	29261
+[n:1]:1:[c:2]:[c:3](-[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2):[c:9]:[c:10]:1>>[c:4]:1(:[c:5]:[n:6]:[n:7]:[c:8]:1)-[B:16]-2-[O:15]-[C:13](-[C:12])(-[C:14])-[C:18](-[O:17]-2)(-[C:19])-[C:20].[n:1]:1:[c:2]:[c:3](:[c:9]:[c:10]:1)-[Br:11]	1	29265
+[C:1]-1(=[C:2]-[N:3](-[C:4])-[C:5](=[O:6])-[C:7]=[C:8]-1)-[B:10](-[O:9])-[O:11]>>[c:1]:1(:[c:2]:[n:3]:[c:5](-[O:6]-[C:12]):[c:7]:[c:8]:1)-[B:10](-[O:9])-[O:11].[C:4]-[I:13]	1	29276
+[c:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[n:6]:[c:7]:[c:8]):[c:9]):[o:10]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[o:10]:1)-[B:15]-2-[O:14]-[C:12](-[C:11])(-[C:13])-[C:17](-[O:16]-2)(-[C:18])-[C:19].[c:5](:[n:6]:[c:7]:[c:8])(:[c:9])-[Cl:20]	1	29281
+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1-[c:6](:[c:7]:[n:8]):[c:9]>>[c:6](:[c:7]:[n:8])(:[c:9])-[B:14]-1-[O:13]-[C:11](-[C:10])(-[C:12])-[C:16](-[O:15]-1)(-[C:17])-[C:18].[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1-[I:19]	1	29283
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+[C:1]-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[O:7]-[C:8]>>[O:7]-[C:8].[C:1]-[C:2](=[O:3])-[C:4]-1-[C:5](=[O:6])-[O:15]-[C:10](-[C:9])(-[C:11])-[O:12]-[C:13]-1=[O:14]	1	29305
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+[C:1]-[c:2]:1:[c:3]:[c:4](:[c:5](:[c:6](-[C:7]):[n:8]:1)-[C:9](-[C:10])=[O:11])-[O:12]>>[C:1]-[C:2]-1=[C:3]-[C:4](=[O:12])-[O:17]-[C:14](-[C:13])(-[C:15])-[O:16]-1.[C:5](=[C:6](-[C:7])-[N:8])-[C:9](-[C:10])=[O:11]	1	29317
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+[c:1]:[c:2](-[N:3]-1-[C:4]=[C:5](-[c:6](:[n:7]):[n:8])-[C:9]=[C:10]-[C:11]-1=[O:12]):[c:13]>>[c:1]:[c:2](:[c:13])-[I:14].[n:3]:1:[c:4]:[c:5](-[c:6](:[n:7]):[n:8]):[c:9]:[c:10]:[c:11]:1-[O:12]	1	29337
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+[N:1]-[C:2]-[C:3]-1=[C:4](-[C:5])-[N:6]-[N:7]-[C:8]-1=[O:9]>>[N:1]#[C:2]-[C:3]-1=[C:4](-[C:5])-[N:6]-[N:7]-[C:8]-1=[O:9]	1	29539
+[N+:1](-[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8])(=[O:9])-[O-:10]>>[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8].[N+:1](-[O:9])(-[O-:10])=[O:11]	1	29543
+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[N:7]-1-[C:8](-[F:9])-[F:10]>>[C:1]-[C:2]=1-[N:3]-[N:4]-[C:5](=[O:6])-[N:7]=1.[C:8](-[F:9])(-[F:10])-[Cl:11]	1	29544
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+[C:1](-[C:2])=[C:3](-[C:4])-[C:5]-[N:6](-[C:7])-[C:8]>>[N:6](-[C:7])-[C:8].[C:1](-[C:2])=[C:3](-[C:4])-[C:5]-[Br:9]	1	29589
+[C:1]-[c:2]:1:[c:3](-[C:4]-[C:5](=[O:6])-[O:7]):[c:8](:[c:9]):[c:11](:[c:10]):[c:12](:[n:13]:1)-[O:14]>>[C:1]-[C:2]-1=[C:3](-[C:4]-[C:5](=[O:6])-[O:7])-[c:8](:[c:9]):[c:11](:[c:10])-[C:12](-[N:13]-1-[O:15])=[O:14]	1	29611
+[C:1](-[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8])=[O:9]>>[C:2]-1=[C:3](-[C:4])-[N:5]-[N:6]-[C:7]-1=[O:8].[C:1](=[O:9])-[N:11](-[C:10])-[C:12]	1	29612
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+[c:1]:[c:2]:1-[C:3](=[O:4])-[C:5](-[C:6](=[O:7])-[O:8])=[C:9]-[N:10](-[C:11]-[C:12])-[c:13]:1:[c:14]>>[C:11](-[C:12])-[Br:15].[c:1]:[c:2]:1:[c:3](-[O:4]):[c:5](-[C:6](=[O:7])-[O:8]):[c:9]:[n:10]:[c:13]:1:[c:14]	1	29625
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+[C:1]-[C:2](-[N:3]=[N+:10]=[N-:9])-[C:4](=[C:5](-[C:6])-[I:8])-[N:7]>>[C:1]-[C:2](-[C:4](=[C:5](-[C:6])-[I:8])-[N:7])-[Br:11].[N-:3]=[N+:10]=[N-:9]	1	29702
+[C:1](-[C:2]#[C:3])-[O:4]-[C:5](-[C:6]-[C:7])-[O:8]>>[C:1](-[C:2]#[C:3])-[O:4].[C:5](=[C:6]-[C:7])-[O:8]	1	29705
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+[c:1]:[c:11](:[n:2])-[N:10]-[C:9]=[C:5](-[C:3](=[O:4])-[O:12])-[C:6](=[O:7])-[O:8]>>[c:1]:[c:11](:[n:2])-[N:10].[C:3](=[O:4])(-[C:5](-[C:6](=[O:7])-[O:8])=[C:9]-[O:14]-[C:13])-[O:12]	1	29719
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+[n:1]:1-[C:2]-[C:3]-[N:4](-[c:5])-[c:6]:1:[n:7]>>[n:1](-[C:2]-[C:3]-[O:8]):[c:6](-[N:4]-[c:5]):[n:7]	1	29734
+[C:1](-[N:2]-[C:6](=[O:5])-[C:7](-[F:8])(-[F:9])-[F:10])-[C:3](=[O:4])-[O:11]>>[C:1](-[N:2])-[C:3](=[O:4])-[O:11].[O:5]=[C:6](-[C:7](-[F:8])(-[F:9])-[F:10])-[O:14]-[C:13](=[O:12])-[C:15](-[F:16])(-[F:17])-[F:18]	1	29754
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+[c:1]:1(:[n:2]:[c:3](:[c:4]):[c:6](:[c:5]):[c:7](-[N:8]-[C:9]):[n:10]:1)-[Cl:11]>>[N:8]-[C:9].[Cl:11]-[P:15](=[O:14])(-[Cl:16])-[Cl:17].[C:1]-1(-[N:2]-[c:3](:[c:4]):[c:6](:[c:5])-[C:7](-[N:10]-1)=[O:12])=[O:13]	1	29873
+[C:1]-[C:2]-[N:3]-1-[C:4]=[C:5]-[C:6]=[C:7](-[O:8])-[C:9]-1=[O:10]>>[C:1]-[C:2]-[I:11].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7](-[O:8]):[c:9]:1-[O:10]	1	29882
+[C:1]-[C:2]-[N:3]-1-[C:4]=[C:5](-[C:6](-[C:7])=[O:15])-[C:9](-[C:8])=[C:10](-[C:11]#[N:14])-[C:12]-1=[O:13]>>[C:1]-[C:2]-[I:16].[n:3]:1:[c:4]:[c:5](-[C:6](-[C:7])=[O:15]):[c:9](-[C:8]):[c:10](-[C:11]#[N:14]):[c:12]:1-[O:13]	1	29885
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]=[N:6]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5]=[N:6])-[O:9]-[C:8]-[C:7]	1	29889
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1>>[C:1]-[N:2].[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[c:19]:2:[c:17](:[c:16]:[c:15](:[c:9](-[S:10](=[O:11])(=[O:12])-[O:13]):[c:20]:2-[C:21])-[C:14])-[C:18]	1	29891
+[N:1]-[C:2](=[O:3])-[O:4]-[C:5]-[O:6]-[C:7](=[O:8])-[C:9]=[C:10]>>[N:1]-[C:2](=[O:3])-[O:4]-[C:5]-[Cl:11].[O:6]-[C:7](=[O:8])-[C:9]=[C:10]	1	29900
+[N:1]-[C:2](=[O:3])-[O:4]-[c:5]>>[N:1]-[C:2](=[O:3])-[F:6].[O:4]-[c:5]	1	29902
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[C:6]=[C:7]-[O:9]):[n:8]:1>>[C:6]=[C:7]-[O:9].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:8]:1)-[Cl:10]	1	29913
+[c:1]:[c:2](-[C:3]-[S:4]-[c:5]:1:[n:6]:[c:7](:[c:8](:[c:9]):[n:11]:1):[c:10]):[n:12]>>[c:1]:[c:2](-[C:3]-[O:16]-[C:14](-[C:13])=[O:15]):[n:12].[S:4]=[C:5]-1-[N:6]-[c:7](:[c:8](:[c:9])-[N:11]-1):[c:10]	1	29914
+[c:1]:[c:6](:[n:5]:[c:4](:[c:2]):[c:3])-[c:7](:[n:8]:[c:9]:[c:10]):[c:11]>>[c:7](:[n:8]:[c:9]:[c:10])(:[c:11])-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[c:1]:[c:6](:[n:5]:[c:4](:[c:2]):[c:3])-[Cl:25]	1	29919
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[c:6](:[n:7]:[c:8]:[c:9]):[c:10]>>[c:6](:[n:7]:[c:8]:[c:9])(:[c:10])-[Sn:23](-[C:14]-[C:15]-[C:16]-[C:17])(-[C:22]-[C:21]-[C:20]-[C:19])-[C:24]-[C:11]-[C:12]-[C:13].[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Br:18]	1	29920
+[c:1]:[c:2](-[c:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1):[c:9]:[n:10]>>[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[Sn:23](-[C:14]-[C:15]-[C:16]-[C:17])(-[C:22]-[C:21]-[C:20]-[C:19])-[C:24]-[C:11]-[C:12]-[C:13].[c:1]:[c:2](:[c:9]:[n:10])-[Br:18]	1	29922
+[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1-[c:6]:2:[c:7]:[c:8]:[n:9]:[n:10]:2>>[c:6]:1(:[c:7]:[c:8]:[n:9]:[n:10]:1)-[Sn:12](-[C:11]-[C:24]-[C:23]-[C:22])(-[C:13]-[C:14]-[C:15]-[C:16])-[C:17]-[C:18]-[C:19]-[C:20].[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1-[Br:21]	1	29924
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[c:6]:[s:7]:1):[n:8]:[c:9]:[c:10]>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[s:7]:1)-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[c:1]:[c:2](:[n:8]:[c:9]:[c:10])-[Br:11]	1	29927
+[c:1]:1:[c:2]:[c:3](-[c:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:2):[c:10]:[n:11]:1>>[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[c:1]:1:[c:2]:[c:3](:[c:10]:[n:11]:1)-[I:25]	1	29929
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1):[c:10]>>[c:4]:1(:[n:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24].[n:1]:[c:2]:[c:3](:[c:10])-[Br:11]	1	29930
+[N:1]-[C:2](=[O:3])-[C:4](-[c:5]:1:[n:6]:[c:7]:[c:8]:[s:9]:1)=[C:10]>>[N:1]-[C:2](=[O:3])-[C:4](=[C:10])-[Br:11].[c:5]:1(:[n:6]:[c:7]:[c:8]:[s:9]:1)-[Sn:16](-[C:15]-[C:14]-[C:13]-[C:12])(-[C:17]-[C:18]-[C:19]-[C:20])-[C:21]-[C:22]-[C:23]-[C:24]	1	29931
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5](:[c:6]):[c:8]:[n:7]):[s:9]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[s:9]:1)-[Sn:20](-[C:11]-[C:12]-[C:13]-[C:14])(-[C:19]-[C:18]-[C:17]-[C:16])-[C:21]-[C:22]-[C:23]-[C:10].[c:5](:[c:6])(:[c:8]:[n:7])-[Br:15]	1	29932
+[n:1]:1:[c:2](-[S:3]-[c:4]:2:[n:5]:[c:6](-[c:7]):[c:8]:[s:9]:2):[n:10]:[c:11]:[c:12]:1>>[n:1]:1:[c:2](:[n:10]:[c:11]:[c:12]:1)-[Br:13].[S:3]=[C:4]-1-[N:5]-[C:6](-[c:7])=[C:8]-[S:9]-1	1	29941
+[C:1]-[C:2]-[N:3](-[C:4])-[C:7]-[C:6]=[C:5]>>[C:1]-[C:2]-[I:8].[N:3](-[C:4])-[C:7]-[C:6]=[C:5]	1	29945
+[C:1]-[C:2]-[n:3]:1:[n:4]:[n:5]:[n:6]:[c:7]:1>>[C:1]-[C:2]-[I:8].[n:3]:1:[n:4]:[n:5]:[n:6]:[c:7]:1	1	29959
+[C:1]-[C:2]-[O:3]-[C:4](=[C:5](-[C:6])-[C:7])-[C:9]=[C:8]>>[C:1]-[C:2]-[I:10].[O:3]-[C:4](=[C:5](-[C:6])-[C:7])-[C:9]=[C:8]	1	29960
+[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[O:6]>>[C:1]-[N:2].[N:5]-[O:6].[C:3](=[O:4])(-[n:9]:1:[c:8]:[c:7]:[n:16]:[c:15]:1)-[n:10]:2:[c:11]:[c:12]:[n:13]:[c:14]:2	1	29970
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6]-[N:7])-[C:8]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5](=[C:6]-[N:7])-[C:8])-[O:9]	1	29988
+[N:1]-[C:2](-[c:3]:[c:4]:[n:5])=[S:10]>>[N:1]-[C:2](-[c:3]:[c:4]:[n:5])=[O:11].[S:6]-1-[P:7]-2(-[S:8]-[P:13]-3(=[S:12])-[S:14]-[P:15](-[S:9]-2)(=[S:16])-[S:17]-[P:18]-1(=[S:19])-[S:20]-3)=[S:10]	1	29992
+[c:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[N:6]=[C:7]-1-[c:8]:[c:9]:[n:10]>>[c:1]-[N:2]-[C:7](-[c:8]:[c:9]:[n:10])=[S:14].[C:3](=[O:4])(-[N:5]-[N:6])-[O:13]-[C:12]-[C:11]	1	29993
+[C:1]-[N:2]-[C:3]-[c:4](:[n:5]):[n:6]>>[C:1]-[N:2].[C:3](-[c:4](:[n:5]):[n:6])=[O:7]	1	29994
+[O:1]-[c:2]:1:[c:3](-[C:4]):[c:5](:[n:6]:[c:7]:[c:8]:1)-[O:9]>>[O:1]-[C:2]-1=[C:3](-[C:4])-[C:5](-[N+:6](-[C:7]=[C:8]-1)-[O-:10])=[O:9]	1	30014
+[C:1]-[N:2]-[C:3]=[C:4]-[C:5](=[O:6])-[N:7]>>[C:1]-[N:2].[C:3](=[C:4]-[C:5](=[O:6])-[N:7])-[O:9]-[C:8]	1	30016
+[C:1]-[C:2]-[C:3](-[O:4])-[c:5]>>[C:1]-[C:2]-[Mg:7]-[Cl:6].[C:3](=[O:4])-[c:5]	1	30020
+[C:1]-[C:2]-1-[C:3]-[C:4]-[C:5]-[N:6]-[C:7]-1>>[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:7]:1	1	30026
+[n:1]:[c:7]:[c:3](:[n:2])-[C:4]-[S:5]-[c:6]>>[n:1]:[c:7]:[c:3](:[n:2])-[C:4]-[Cl:8].[S:5]-[c:6]	1	30031
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2-[c:11](:[c:12]-1:[c:13]):[c:14]>>[C:1]-[C:2]-[I:15].[n:3]:1:[c:4](-[O:5]):[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2:[c:11](:[c:12]:1:[c:13]):[c:14]	1	30041
+[C:1]-[C:2]-[N:3]-1-[C:4]=[C:5](-[C:6](=[O:7])-[N:8])-[C:9](=[O:10])-[C:11](-[c:12])=[C:13]-1-[C:14]>>[C:1]-[C:2]-[I:15].[n:3]:1:[c:4]:[c:5](-[C:6](=[O:7])-[N:8]):[c:9](-[O:10]):[c:11](-[c:12]):[c:13]:1-[C:14]	1	30049
+[C:1]-[C:2]-[O:3]-[C:4](=[C:5]-[N:6])-[C:7]=[O:8]>>[C:1]-[C:2]-[I:9].[O:3]-[C:4](=[C:5]-[N:6])-[C:7]=[O:8]	1	30050
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:2:[c:7](-[N:8]):[n:9]:[c:10]:[n:11]:[c:12]:1:2>>[C:1]-[C:2]-[I:13].[n:3]:1:[c:4]:[n:5]:[c:6]:2:[n:11]:[c:10]:[n:9]:[c:7](-[N:8]):[c:12]:1:2	1	30051
+[C:1]-[C:2]-[C:3](-[c:4])-[c:5]>>[C:1]-[C:2]-[I:6].[C:3](-[c:4])-[c:5]	1	30092
+[C:1]-[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1>>[C:1]-[C:2]-[I:8].[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1	1	30101
+[C:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[c:6](:[c:7](:[c:8]):[n:10]:1-[C:11]):[c:9]>>[C:1]-[C:2]-[I:12].[S:3]=[C:4]-1-[N:5]-[c:6](:[c:7](:[c:8])-[N:10]-1-[C:11]):[c:9]	1	30106
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7]>>[C:1]-[C:2]-[I:9].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7]	1	30111
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[C:6](-[C:7](=[O:8])-[O:17])=[C:9](-[O:10])-[c:11]:2:[n:12]:[c:13]:[c:14]:[c:15]:[c:16]-1:2>>[C:1]-[C:2]-[I:18].[n:3]:1:[c:4](-[O:5]):[c:6](-[C:7](=[O:8])-[O:17]):[c:9](-[O:10]):[c:11]:2:[n:12]:[c:13]:[c:14]:[c:15]:[c:16]:1:2	1	30112
+[C:1]-[C:2]-[N:3](-[c:4])-[S:5]>>[C:1]-[C:2]-[I:6].[N:3](-[c:4])-[S:5]	1	30114
+[C:1]-[C:2]-[N:3]-[c:4]:[c:5]:[s:6]>>[C:1]-[C:2]-[I:7].[N:3]-[c:4]:[c:5]:[s:6]	1	30116
+[C:1]-[C:2]-[O:3]-[C:4]-[C:5]=[C:6]>>[C:1]-[C:2]-[I:7].[O:3]-[C:4]-[C:5]=[C:6]	1	30120
+[C:1]-[C:2](-[C:3]-[C:4])(-[C:5](=[O:6])-[O:7])-[O:8]>>[C:3](-[C:4])-[I:9].[C:1]-[C:2](-[C:5](=[O:6])-[O:7])-[O:8]	1	30121
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]-1>>[C:1]-[C:2]-[I:10].[N:3]-1-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]-1	1	30124
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6])-[C:7]=[O:8]>>[C:5](-[C:6])-[I:9].[N:1]-[C:2](=[O:3])-[N:4]-[C:7]=[O:8]	1	30125
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[C:6](-[N+:7])=[C:8](-[N:9])-[N:10]=[C:11]-1-[C:12]>>[C:1]-[C:2]-[I:13].[n:3]:1:[c:4](-[O:5]):[c:6](-[N+:7]):[c:8](-[N:9]):[n:10]:[c:11]:1-[C:12]	1	30127
+[C:1]-[N:2]-[C:3](-[C:4]#[N:5])(-[C:6])-[C:7]>>[C:1]-[N:2].[C:4]#[N:5].[C:3](-[C:6])(-[C:7])=[O:8]	1	30150
+[c:1]:1:[c:2](:[n:3]:[c:4](-[N:5]-[C:6]):[n:7]:1):[c:8]>>[N:5]-[C:6].[c:1]:1:[c:2](:[n:3]:[c:4](:[n:7]:1)-[Br:9]):[c:8]	1	30170
+[C:1]-[N:2]-[c:3](:[c:4]):[c:6]:[c:5]:[n:7]>>[C:1]-[N:2].[c:3](:[c:4])(:[c:6]:[c:5]:[n:7])-[Cl:8]	1	30191
+[c:1]-[C:2]-[C:3]-[C:4]>>[C:3]-[C:4].[c:1]-[C:2]-[Br:5]	1	30206
+[C:1]-[N:2]-[c:3]:1:[n:4]:[n:5]:[c:6]:[c:7]:1:[c:8]:[n:9]>>[C:1]-[N:2].[c:3]:1(:[n:4]:[n:5]:[c:6]:[c:7]:1:[c:8]:[n:9])-[I:10]	1	30207
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5]:[c:6](-[c:7](:[c:8]):[c:9]):[n:10]:[c:11]:1-[O:12]>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5])-[C:6](=[O:12])-[N:15](-[C:14]-[C:13])-[C:16]-[C:17].[c:7](:[c:8])(:[c:9])-[C:11]#[N:10]	1	30223
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5](-[c:6])-[S:7](=[O:8])(=[O:9])-[c:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[Br:11].[S:7](=[O:8])(=[O:9])(-[c:10])-[Cl:12].[N:5]-[c:6]	1	30226
+[N:1]-[c:2]:1:[n:3]:[s:4]:[c:5](-[N:6]):[c:7]:1-[C:8]#[N:9]>>[N:1]-[C:2](-[N:3])=[C:7](-[C:5](=[S:4])-[N:6])-[C:8]#[N:9]	1	30228
+[c:1]:[c:2]:1:[c:3](:[c:4]:[n:5]:[c:6]:1:[c:7])-[C:8]>>[c:1]:[c:2]:1-[C:3](-[C:4]-[N:5]-[c:6]:1:[c:7])-[C:8]	1	30231
+[C:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[o:8]:2):[c:9](:[n:10]:1)-[O:11]>>[C:1]-[C:2]#[N:10].[C:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[o:8]:1)-[C:9](=[O:11])-[N:14](-[C:13]-[C:12])-[C:15]-[C:16]	1	30234
+[c:1]:[c:2](-[N:3]):[n:4]>>[c:1]:[c:2](-[N:3]-[C:7]-[C:6]=[C:5]):[n:4]	1	30235
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[n:6]:[n:7]:1):[s:8]>>[c:1]:[c:2](-[C:3]#[N:7]):[s:8].[N-:4]=[N+:6]=[N-:5]	1	30255
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[c:6]:[c:7]:[n:8]):[n:9]>>[n:1]:[c:2](-[N+:3](=[O:13])-[O-:14]):[n:9].[C:4](=[O:5])(-[c:6]:[c:7]:[n:8])-[O:12]-[C:11]-[C:10]	1	30260
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](-[c:6]):[n:7]:[o:8]:1):[s:9]>>[c:1]:[c:2](-[C:3](=[O:10])-[O:11]):[s:9].[N:4]-[C:5](-[c:6])=[N:7]-[O:8]	1	30263
+[S:1]-[C:2]-1=[C:3](-[C:4])-[N:5]-2-[C:6](-[N:7]-[N:8]=[C:9]-2-[C:10]=[C:11]-1)=[O:12]>>[S:1]-[c:2]:1:[c:3](-[C:4]):[n:5]:[c:9](-[N:8]-[N:7]):[c:10]:[c:11]:1.[C:6](=[O:12])(-[n:20]:1:[c:16]:[n:17]:[c:18]:[c:19]:1)-[n:21]:2:[c:15]:[n:14]:[c:13]:[c:22]:2	1	30264
+[N:1]-[C:7](-[C:6]-[N:3](-[C:2])-[C:4]-[C:5])=[O:8]>>[N:1]-[C:7](-[C:6]-[N:3]-[C:2])=[O:8].[C:4](-[C:5])-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12]	1	30276
+[C:1]-[N:2]-[C:3](=[S:4])-[N:5]-[S:6]>>[C:1]-[N:2]=[C:3]=[S:4].[N:5]-[S:6]	1	30280
+[C:1]-[N:2]-[C:3](=[S:4])-[O:5]-[C:6]>>[C:1]-[N:2]=[C:3]=[S:4].[O:5]-[C:6]	1	30281
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]:2:[c:6]:[n:7]:[n:8]:[c:9]:2):[c:10]:[s:11]:1>>[c:1]-[C:2](-[N:3])=[S:11].[C:4](-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1)(-[C:10]-[Br:13])=[O:12]	1	30286
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[C:6]-[C:7](=[O:23])-[O:26]-[C:25]-[C:24]):[c:8]:[o:9]:1>>[c:1]:[c:2]-1:[c:3](:[c:4])-[C:5](-[C:8]-[O:9]-1)=[O:27].[O:22]-[C:25]-[C:24].[C:6](-[C:7](=[O:23])-[O:26])=[P:32](-[c:14]:1:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:1)(-[c:31]:2:[c:20]:[c:21]:[c:28]:[c:29]:[c:30]:2)-[c:33]:3:[c:13]:[c:12]:[c:11]:[c:10]:[c:34]:3	1	30298
+[C:1]-[O:2]-[C:3]-[c:4]>>[C:1]-[O:2].[C:3](-[c:4])-[I:5]	1	30318
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+[C:1](=[O:2])-[O:3]-[C:4]>>[C:4](-[C:5])-[O:6].[C:1](=[O:2])-[O:3]	1	30352
+[n:1]:[c:2](-[C:3](=[O:4])-[O:5]):[n:6]>>[O:5]-[C:8]-[C:7].[O:4].[n:1]:[c:2](-[C:3]#[N:9]):[n:6]	1	30377
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+[C:1]-[O:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:1]-[O:2].[C:3](-[c:4]:[c:5]:[n:6])-[O:11]-[S:8](-[C:7])(=[O:9])=[O:10]	1	30403
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+[C:1]-[S:2](=[O:3])-[C:4]>>[O:3]-[C:6]-[C:5].[C:1]-[S:2]-[C:4]	1	30405
+[c:1]:1:[n:2]:[n:3]:[c:4]:2:[c:5]:1:[c:6](-[O:7]):[c:8]:[c:9]:[n:10]:2>>[O:7]-[C:12]-[C:11].[c:1]:1:[n:2]:[n:3]:[c:4]:2:[c:5]:1:[c:6](:[c:8]:[c:9]:[n:10]:2)-[Cl:13]	1	30418
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:6]:[c:7]:1:[c:8]>>[C:4](-[C:5])-[O:9].[c:1]:[c:2](-[N:3]):[c:7](-[N:6]):[c:8]	1	30452
+[S:1]-[C:2](-[C:3](=[O:4])-[O:5]-[C:8])=[C:6]-[C:7]>>[O:5]-[C:8].[S:1]-[C:2](-[C:3](=[O:4])-[O:9])=[C:6]-[C:7]	1	30458
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:[c:10]:1:[c:9]>>[C:1]-[O:2].[c:3]:1(:[n:4]:[c:5](:[c:6]):[c:7]:[n:8]:[c:10]:1:[c:9])-[Cl:11]	1	30462
+[C:1](=[O:2])(-[c:3](:[n:4]):[c:5])-[O:7]-[C:6]>>[C:6]-[O:7].[C:1](-[O:2])(-[c:3](:[n:4]):[c:5])=[O:8]	1	30476
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]>>[C:1]-[O:2].[c:3]:1(:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8])-[Cl:10]	1	30478
+[C:1](-[c:2])(=[O:3])-[O:5]-[C:4]>>[C:4]-[O:5].[C:1](-[c:2])(-[O:3])=[O:6]	1	30489
+[C:1]-[O:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:1]-[O:2].[C:3](-[c:4]:[c:5]:[n:6])-[Cl:7]	1	30493
+[O:1]-[C:2]-[C:3]-[C:4]>>[O:1]-[C:6]-[C:5].[C:2]=[C:3]-[C:4]	1	30511
+[C:1](=[O:2])(-[c:3](:[c:4]):[c:5])-[O:7]-[C:6]>>[C:6]-[O:7].[C:1](=[O:2])(-[O:8]-[C:12]-[C:11])-[C:9].[c:3](:[c:4])(:[c:5])-[Br:10]	1	30521
+[C:1]-[O:2]-[C:3](=[O:4])-[C:5]>>[O:4]=[C:9](-[O:8]-[C:7]-[C:6])-[C:10].[C:1]-[O:2].[C:3](-[C:5])#[N:11]	1	30522
+[c:1]:[c:2]:[n:3]:[c:4](-[C:5](-[C:6])=[O:8]):[c:7]>>[C:5](-[C:6])(=[O:8])-[O:12]-[C:11]-[C:10].[c:1]:[c:2]:[n:3]:[c:4](:[c:7])-[Br:9]	1	30526
+[C:1]-[C:2](=[O:3])-[c:4](:[c:5]):[c:6]>>[C:1]-[C:2](=[O:3])-[O:10]-[C:9]-[C:8].[c:4](:[c:5])(:[c:6])-[Br:7]	1	30532
+[c:1]-[C:2]=[O:3]>>[O:3]=[C:8](-[O:7]-[C:6]-[C:5])-[C:9].[c:1]-[C:2]#[N:4]	1	30533
+[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:12]):[n:6]:[n:7]:[n:8]:1-[c:9](:[c:10]):[c:11]>>[C:1]-[C:2]#[C:3]-[C:4](=[O:5])-[O:12].[N-:6]=[N+:7]=[N-:8].[c:9](:[c:10])(:[c:11])-[I:13]	1	30542
+[C:1]-[C:2](-[O:3]-[c:4])=[C:5]-[C:6](=[O:7])-[O:8]>>[C:1]-[C:2]#[C:5]-[C:6](=[O:7])-[O:8].[O:3]-[c:4]	1	30543
+[n:1]:[c:2](-[C:3]-1=[N:4]-[C:5]-[C:6](-[C:7]-[C:8](=[O:9])-[O:12])-[S:10]-1):[c:11]>>[C:5]-[C:6]#[C:7]-[C:8](=[O:9])-[O:12].[n:1]:[c:2](-[C:3](-[N:4])=[O:34]):[c:11].[S:10]-1-[P:19](-[c:18]:2:[c:17]:[c:16]:[c:15](-[O:14]-[C:13]):[c:33]:[c:32]:2)(=[S:20])-[S:21]-[P:22]-1(=[S:23])-[c:24]:3:[c:25]:[c:26]:[c:27](-[O:28]-[C:29]):[c:30]:[c:31]:3	1	30546
+[C:1](=[O:2])-[C:3](-[C:4](=[O:8])-[O:9])=[C:7]-[N:6]-[c:5]>>[C:1](=[O:2])-[C:3](-[C:4](=[O:8])-[O:9])=[C:7]-[O:12]-[C:11]-[C:10].[c:5]-[N:6]	1	30551
+[C:1]-[C:2](-[C:3](=[O:6])-[O:7])-[C:5]-[c:4]>>[C:1]-[C:2](-[C:3](=[O:6])-[O:7])-[C:12](-[O:11]-[C:10]-[C:9])=[O:13].[c:4]-[C:5]-[Br:8]	1	30553
+[C:1]-[C:2](-[C:3](-[O:4])=[O:8])(-[C:5]-[c:6])-[C:10](-[O:9])=[O:11]>>[C:1]-[C:2](-[C:3](-[O:4])=[O:8])-[C:10](-[O:9])=[O:11].[C:5](-[c:6])-[Br:7]	1	30554
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5])(-[C:6]-[C:7]=[O:8])-[C:9](=[O:10])-[O:11]>>[C:6]-[C:7]=[O:8].[O:1]-[C:2](=[O:3])-[C:4](=[O:5])-[C:9](=[O:10])-[O:11]	1	30557
+[C:1](=[O:2])(-[C:3]-[C:4](=[O:6])-[O:7])-[O:5]>>[C:1](=[O:2])(-[C:3]-[C:4](=[O:6])-[O:7]-[C:10]-[C:11])-[O:5]-[C:9]-[C:8]	1	30559
+[C:1](=[O:2])(-[C:3](-[C:4])(-[c:5](:[c:6]):[c:7])-[C:9](=[O:10])-[O:12])-[O:8]>>[C:1](=[O:2])(-[C:3](-[C:4])-[C:9](=[O:10])-[O:12])-[O:8].[c:5](:[c:6])(:[c:7])-[F:11]	1	30560
+[N:1]-[C:2](-[C:3]-[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:1)=[C:9]-[C:10]>>[N:1]-[C:2](-[C:3]-[Cl:11])=[C:9]-[C:10].[n:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:1	1	30565
+[O:1]=[C:2](-[O:3])-[C:4]-1(-[C:5])-[C:6]-[C:7](-[c:8])=[N:9]-[O:10]-1>>[O:1]=[C:2](-[O:3])-[C:4](-[C:5])=[C:6].[C:7](-[c:8])=[N:9]-[O:10]	1	30571
+[C:1]-[c:2]:1:[c:3](-[C:4]):[s:5]:[c:6](-[C:7](=[O:8])-[O:10]):[n:9]:1>>[S:5]=[C:6](-[C:7](=[O:8])-[O:10])-[N:9].[C:1]-[C:2](-[C:3](-[C:4])-[Br:12])=[O:11]	1	30574
+[C:1](=[O:2])(-[c:3]:1:[n:4]:[c:5](:[c:6](-[C:7]):[s:9]:1)-[c:8])-[O:10]>>[C:1](=[O:2])(-[C:3](-[N:4])=[S:9])-[O:10].[C:5](-[C:6](-[C:7])-[Br:12])(-[c:8])=[O:11]	1	30575
+[C:1](-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7])-[C:8](=[O:9])-[O:10]>>[C:1](-[N:2])-[C:8](=[O:9])-[O:10].[C:3](-[O:4])(-[c:5](:[c:6]):[s:7])=[O:11]	1	30577
+[N:1]-[C:6](-[C:4](=[C:3]-[C:2])-[N:5])=[O:7]>>[N:1]-[C:6](-[C:4](=[C:3]-[C:2])-[N+:5](=[O:8])-[O-:9])=[O:7]	1	30578
+[N:1]-[C:9](-[C:4](=[C:3]-[C:2])-[N:5]-[c:6](:[c:7]):[c:8])=[O:10]>>[N:1]-[C:9](-[C:4](=[C:3]-[C:2])-[N:5])=[O:10].[c:6](:[c:7])(:[c:8])-[B:12](-[O:11])-[O:13]	1	30579
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[n:7]:[c:8](:[c:9]:2-[C:10](=[O:12])-[O:13])-[N:11]>>[c:1]:1:[c:2]:[c:3](:[c:4](:[c:5]:[n:6]:1)-[N+:7](=[O:14])-[O-:15])-[C:9](-[C:8]#[N:11])-[C:10](=[O:12])-[O:13]	1	30581
+[c:1]:[c:2](-[C:3]-[O:4]-[c:5](:[c:6]):[n:7]):[n:8]>>[O:4]-[c:5](:[c:6]):[n:7].[c:1]:[c:2](-[C:3]-[Br:9]):[n:8]	1	30587
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](:[c:7]:1-[C:8])-[C:9]-[C:10](=[O:11])-[O:12]>>[C:6](-[C:7]-[C:8])(-[C:9]-[C:10](=[O:11])-[O:12])=[O:14].[c:1]:[c:2]:[c:3](:[c:4])-[N:5]-[N:13]	1	30588
+[N:1]-1-[C:2](=[O:3])-[C:4](-[C:5])=[C:6]-[N:7]-1-[C:8]>>[N:1]-1-[C:2](=[O:3])-[C:4](-[C:5])=[C:6]-[N:7]-1.[C:8]-[O:12]-[S:10](=[O:9])(=[O:11])-[C:13](-[F:14])(-[F:15])-[F:16]	1	30589
+[O:1]=[C:2](-[c:3]:1:[c:4]:[s:5]:[c:6](-[S:7]-[C:8]-[C:9](=[O:10])-[N:11]):[n:12]:1)-[O:13]>>[O:1]=[C:2](-[C:3]-1=[C:4]-[S:5]-[C:6](=[S:7])-[N:12]-1)-[O:13].[C:8](-[C:9](=[O:10])-[N:11])-[Cl:14]	1	30592
+[c:1]:[c:2](-[C:3]=[C:4]-[C:5](=[O:6])-[O:8]):[c:7]>>[C:3]=[C:4]-[C:5](=[O:6])-[O:8].[c:1]:[c:2](:[c:7])-[O:12]-[S:10](=[O:9])(=[O:11])-[C:13](-[F:14])(-[F:15])-[F:16]	1	30598
+[C:1]-[C:2](-[O:3]-[c:4])=[C:5]-[C:6](=[O:7])-[O:8]>>[C:1]-[C:2](=[C:5]-[C:6](=[O:7])-[O:8])-[Cl:9].[O:3]-[c:4]	1	30613
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5](-[C:6])-[c:7](:[c:8]):[c:9]>>[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[C:6].[c:7](:[c:8])(:[c:9])-[Br:10]	1	30614
+[c:1]:1(:[n:2]:[c:3]:2:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:2:[c:9]:[c:10]:1)-[O:11]>>[C:1](-[C:10]=[C:9]-[c:8]:1:[c:3](-[N:2]):[c:4]:[c:5]:[n:6]:[c:7]:1)(=[O:11])-[O:14]-[C:13]-[C:12]	1	30617
+[c:1]:1(:[c:2]:[n:3]:[c:4]:2:[c:5]:[n:6]:[c:7]:[c:8]:[c:9]:2:[n:10]:1)-[O:11]>>[C:1](-[C:2]=[O:15])(=[O:11])-[O:14]-[C:13]-[C:12].[N:3]-[c:4]:1:[c:5]:[n:6]:[c:7]:[c:8]:[c:9]:1-[N:10]	1	30623
+[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5]:2:[c:6]:1:[c:7](-[c:8]):[c:9]:[n:10]:[c:11]:2-[C:12](=[O:13])-[O:14]>>[C:11](-[C:12](=[O:13])-[O:14])=[O:15].[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5]:[c:6]:1-[C:7](-[c:8])-[C:9]-[N:10]	1	30628
+[C:1]-[n:2]:1:[c:3](-[C:4](=[O:5])-[O:11]):[n:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:3](-[C:4](=[O:5])-[O:11])=[O:12].[C:1]-[N:2]-[c:8](:[c:7](-[N:6]):[c:10]):[c:9]	1	30629
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+[C:1]-[C:2](-[C:3](-[C:4]-[C:5](=[O:6])-[O:7])-[N:8]-[C:9]=[O:10])=[O:11]>>[C:4](-[C:5](=[O:6])-[O:7])-[Br:12].[C:1]-[C:2](-[C:3]-[N:8]-[C:9]=[O:10])=[O:11]	1	30695
+[C:1](=[O:2])(-[C:3]-[C:4](-[C:5]=[O:10])-[N:8]-[C:7]=[O:6])-[O:9]>>[C:1](=[O:2])(-[C:3]-[Br:11])-[O:9].[C:4](-[C:5]=[O:10])-[N:8]-[C:7]=[O:6]	1	30704
+[C:1](-[C:2](-[c:3])-[C:4]-[C:5](=[O:6])-[O:7])=[O:8]>>[C:4](-[C:5](=[O:6])-[O:7])-[Br:9].[C:1](-[C:2]-[c:3])=[O:8]	1	30728
+[C:1](=[O:2])(-[C:3]-[N:4]-1-[C:5]=[C:6]-[C:7](-[n:8](:[c:9]:[c:10]):[c:11])=[C:12]-[C:13]-1=[O:14])-[O:15]>>[C:1](=[O:2])(-[C:3]-[Br:16])-[O:15].[n:4]:1:[c:5]:[c:6]:[c:7](-[n:8](:[c:9]:[c:10]):[c:11]):[c:12]:[c:13]:1-[O:14]	1	30731
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[C:6])-[N:7](-[c:8])-[C:9](-[N:10])=[C:11](-[C:12](=[O:13])-[O:14])-[C:15]-1-[c:16](:[c:17]):[o:18]>>[C:9](#[N:10])-[C:11]-[C:12](=[O:13])-[O:14].[O:1]-[C:2](=[O:3])-[C:4]=[C:5](-[C:6])-[N:7]-[c:8].[C:15](-[c:16](:[c:17]):[o:18])=[O:19]	1	30733
+[S:1]-[c:2]:1:[n:3]:[c:4](:[c:5](-[C:6]#[N:7]):[c:8](-[c:9]):[n:10]:1)-[O:11]>>[C:4](-[C:5]-[C:6]#[N:7])(=[O:11])-[O:14]-[C:13]-[C:12].[S:1]-[C:2](=[N:3])-[N:10].[C:8](-[c:9])=[O:15]	1	30735
+[O:1]=[C:2]-1-[N:3]-[C:4](=[S:5])-[N:6](-[c:7]:[c:9]:[n:8])-[C:10](=[C:11]-1)-[N:12]>>[O:1]=[C:2](-[C:11]-[C:10]#[N:12])-[O:15]-[C:14]-[C:13].[N:3]-[C:4](=[S:5])-[N:6]-[c:7]:[c:9]:[n:8]	1	30741
+[N:1]#[C:2]-[C:3](-[C:4](=[O:5])-[O:8])-[C:6]-[C:7]=[O:9]>>[N:1]#[C:2]-[C:3]-[C:4](=[O:5])-[O:8].[C:6](-[C:7]=[O:9])-[Br:10]	1	30742
+[N:1]#[C:2]-[C:3](-[C:4](=[O:5])-[O:9])=[C:6](-[c:7])-[c:8]>>[N:1]#[C:2]-[C:3]-[C:4](=[O:5])-[O:9].[C:6](-[c:7])(-[c:8])=[O:10]	1	30743
+[O:1]-[C:2](=[O:3])-[C:4]-[n:5]:1:[n:6]:[c:7](-[c:8]):[c:9]:[c:10]:1-[N:11]>>[O:1]-[C:2](=[O:3])-[C:4]-[N:5]-[N:6].[C:7](-[c:8])(-[C:9]-[C:10]#[N:11])=[O:12]	1	30764
+[N:1](-[C:2](-[C:3])=[O:7])-[c:5]:[c:4]:[n:6]>>[N+:1](-[c:5]:[c:4]:[n:6])(=[O:11])-[O-:12].[C:2](-[C:3])(=[O:7])-[O:10]-[C:9]-[C:8]	1	30765
+[c:1]:1:[c:2]:[c:3](-[S:4]-[C:5]-[C:6](=[O:7])-[O:11]):[n:8]:[c:9]:[n:10]:1>>[S:4]-[C:5]-[C:6](=[O:7])-[O:11].[c:1]:1:[c:2]:[c:3](:[n:8]:[c:9]:[n:10]:1)-[Cl:12]	1	30766
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6](-[C:7])-[C:8]):[s:9]>>[n:1]:[c:2](-[N:3]):[s:9].[N:6](-[C:7])-[C:8].[C:4](=[O:5])(-[c:13]:1:[n:12]:[c:11]:[c:10]:[n:19]:1)-[c:14]:2:[n:15]:[c:16]:[c:17]:[n:18]:2	1	30768
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[C:6](=[O:7])-[O:10]):[c:8]:1-[c:9]>>[C-:3]#[N+:4]-[C:5]-[C:6](=[O:7])-[O:10].[C:1]-[C:2](=[C:8]-[c:9])-[N+:12](=[O:11])-[O-:13]	1	30770
+[c:1]-[n:2]:1:[c:3]:[n:4]:[c:5](-[C:6]-[O:7]):[c:8]:1>>[N+:4](-[C:5]-[C:6](=[O:7])-[O:11]-[C:10]-[C:9])(=[O:12])-[O-:13].[C:3](-[O:16]-[C:15]-[C:14])(-[O:17]-[C:18]-[C:19])-[O:20]-[C:21]-[C:22].[c:1]-[N:2].[C:8]-[C:24](=[O:23])-[O:25]	1	30771
+[O:1]-[C:2](=[O:3])-[N:4]-1-[C:5](=[O:6])-[N:7]-[C:8](-[C:9])=[C:10]-1>>[O:1]-[C:2](=[O:3])-[Cl:11].[N:4]-1-[C:5](=[O:6])-[N:7]-[C:8](-[C:9])=[C:10]-1	1	30779
+[O:1]=[C:2]-1-[O:3]-[N:4]-[C:5](=[O:6])-[N:7]-1>>[O:1]=[C:2](-[O:10]-[C:9]-[C:8])-[Cl:11].[O:3]-[N:4]-[C:5](=[O:6])-[N:7]	1	30780
+[N:1](-[C:2])(-[C:5]-[C:4]=[C:3])-[C:9](=[O:6])-[O:8]>>[O:6]=[C:9](-[Cl:7])-[O:8].[N:1](-[C:2])-[C:5]-[C:4]=[C:3]	1	30783
+[O:1]-[C:2](=[N:3]-[c:4])-[O:7]-[C:5]=[O:6]>>[O:1]-[C:2](=[O:8])-[Cl:9].[N:3]-[c:4].[C:5](=[O:6])-[O:7]	1	30785
+[N:1](-[C:2])(-[C:5]-[C:4]=[C:3])-[C:16](=[O:6])-[O:15]>>[O:6]=[C:16](-[Cl:7])-[O:15].[N:1](-[C:2])(-[C:5]-[C:4]=[C:3])-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1	1	30805
+[O:1]-[C:2](=[O:3])-[N:4]-1-[C:5]=[C:6]-[C:7](-[c:8]:2:[c:9]:[n:10]:[c:11](:[c:12]):[n:14]:2:[n:13])-[C:15]=[N:16]-1>>[O:1]-[C:2](=[O:3])-[Cl:17].[c:8]:1:[c:9]:[n:10]:[c:11](:[c:12]):[n:14]:1:[n:13].[n:4]:1:[c:5]:[c:6]:[c:7]:[c:15]:[n:16]:1	1	30812
+[O:1]-[C:2](=[O:3])-[N:4]-[c:5]>>[O:1]-[C:2](=[O:3])-[Cl:6].[N+:4](-[c:5])(=[O:7])-[O-:8]	1	30813
+[C:1]-[C:2]-[O:3]-[C:4](=[O:5])-[C:6]>>[C:1]-[C:2]-[O:10]-[C:8](=[O:7])-[Cl:9].[O:3]-[C:4](=[O:5])-[C:6]	1	30817
+[O:1]-[C:2](=[O:3])-[N:4](-[c:5]:[c:7]:[n:6])-[C:8]>>[O:1]-[C:2](=[O:3])-[Cl:9].[N:4](-[c:5]:[c:7]:[n:6])-[C:8]	1	30818
+[O:1]-[C:2](=[O:3])-[N:4]-[N:5]-[c:6](:[c:7]):[n:9]:[n:8]>>[O:1]-[C:2](=[O:3])-[N:4]-[N:5].[c:6](:[c:7])(:[n:9]:[n:8])-[Cl:10]	1	30826
+[O:1]-[C:2](=[O:3])-[N:4]-[N:5]=[C:6](-[C:7])-[c:8]>>[O:1]-[C:2](=[O:3])-[N:4]-[N:5].[C:6](-[C:7])(-[c:8])=[O:9]	1	30827
+[O:1]-[C:2](=[O:3])-[N:4]-[C:5]-1-[C:6]-[C:7]-[C:8]-[N:9]-[C:10]-1>>[O:1]-[C:2](=[O:3])-[N:4]-[c:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:1	1	30828
+[s:1]:[c:2](-[n:3]:1:[c:4]:[c:5](-[C:6]):[n:7]:[n:8]:1):[n:9]>>[s:1]:[c:2](-[N:3]=[N+:8]=[N-:7]):[n:9].[C:4]#[C:5]-[C:6]	1	30845
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[N:6]-[C:7]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[F:8].[N:6]-[C:7]	1	30850
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[n:7]:[c:8]:[c:9]:2)-[O:10]>>[C:1](-[c:6]:1:[c:5](-[N:4]):[c:9]:[c:8]:[n:7]:1)(=[O:10])-[O:13]-[C:12]-[C:11].[N:2]=[C:3]-[N:14]	1	30851
+[c:1](:[c:2]-[c:6]:1:[c:5](-[C:4]):[s:10]:[c:8](:[n:7]:1)-[C:9]):[s:3]>>[c:1](:[c:2]-[C:6](-[C:5](-[C:4])-[Br:12])=[O:11]):[s:3].[N:7]-[C:8](-[C:9])=[S:10]	1	30855
+[c:1]-[c:2]:1:[c:3]:[s:4]:[c:5](-[c:6]:[c:8]:[n:7]):[n:9]:1>>[c:1]-[C:2](-[C:3]-[Br:10])=[O:11].[S:4]=[C:5](-[c:6]:[c:8]:[n:7])-[N:9]	1	30863
+[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[c:7])-[O:8]>>[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1.[C:6](-[c:7])=[O:8]	1	30866
+[c:1]-[O:2]-[C:3]-[c:4](:[n:5]):[s:6]>>[C:3](-[c:4](:[n:5]):[s:6])-[Br:7].[c:1]-[O:2]	1	30873
+[C:1]-[O:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[C:1]-[O:2].[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:11]-[C:10]-[C:9]	1	30885
+[C:1]-[N:2]-1-[C:3](=[O:4])-[C:5](=[C:6](-[c:7])-[S:8]-1)-[O:9]>>[C:3](=[O:4])(-[C:5](=[O:9])-[O:13]-[C:14]-[C:15])-[O:12]-[C:11]-[C:10].[C:1]-[N:2]-[S:8]-[C:6]-[c:7]	1	30894
+[O:1]=[C:2](-[C:3](=[O:7])-[O:8])-[c:4](:[c:5]):[c:6]>>[O:1]=[C:2](-[C:3](=[O:7])-[O:8])-[O:11]-[C:10]-[C:9].[c:4](:[c:5]):[c:6]	1	30897
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5](=[O:6])-[O:7]>>[C:3](=[O:4])(-[C:5](=[O:6])-[O:7])-[O:10]-[C:9]-[C:8].[c:1]-[N:2]	1	30898
+[O:1]=[C:2]-1-[C:3](=[C:4](-[c:5])-[C:6](=[O:7])-[N:8]-1-[c:9])-[O:10]>>[O:1]=[C:2](-[C:3](=[O:10])-[O:14]-[C:15]-[C:16])-[O:13]-[C:12]-[C:11].[C:4](-[c:5])-[C:6](=[O:7])-[N:8]-[c:9]	1	30901
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])=[O:6]>>[O:1]-[C:2](=[O:3])-[C:10](-[O:9]-[C:8]-[C:7])=[O:11].[C:4](-[C:5])(=[O:6])-[O:14]-[C:13]-[C:12]	1	30902
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[c:6]:2:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:2:[n:12]:1-[c:13]>>[O:1]-[C:2](=[O:3])-[C:4](-[O:16]-[C:15]-[C:14])=[O:17].[N:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:1-[N:12]-[c:13]	1	30911
+[C:1]-[n:2]:1:[c:3]:[c:4](-[C:5](=[O:11])-[O:12]):[c:6](-[O:7]-[C:8]-[c:9]):[n:10]:1>>[C:1]-[N:2]-1-[C:3]=[C:4](-[C:5](=[O:11])-[O:12])-[C:6](=[O:7])-[N:10]-1.[C:8](-[c:9])-[Br:13]	1	30932
+[C:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1-[C:9]):[c:7]>>[C:1]-[C:2](-[O:12]-[C:11]-[C:10])=[O:13].[N:3]-[c:4](:[c:5](:[c:6])-[N:8]-[C:9]):[c:7]	1	30934
+[C:1]-[N:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[c:7]:1)-[C:8]>>[C:1]-[N:2]-[C:8].[c:3]:1(:[n:4]:[n:5]:[c:6]:[c:7]:1)-[I:9]	1	30944
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6](=[C:7](-[O:8])-[C:9])-[C:11](-[N:10])=[O:12]):[s:13]>>[C:4](=[O:5])(-[C:6](=[C:7](-[O:8])-[C:9])-[C:11](-[N:10])=[O:12])-[O:16]-[C:15]-[C:14].[n:1]:[c:2](-[N:3]):[s:13]	1	30945
+[c:1]:1:[c:2](-[C:3]-[C:4](=[O:5])-[O:6]):[n:7](:[c:8]:[c:9]):[c:11](:[c:10]):[c:12]:1>>[c:1]:1:[c:2]:[n:7](:[c:8]:[c:9]):[c:11](:[c:10]):[c:12]:1.[C:3](-[C:4](=[O:5])-[O:6])=[N+:14]=[N-:13]	1	30947
+[O:1]-[C:2](=[O:3])-[C:4]-1-[C:5](-[C:6])-[C:10]-1-[c:7]:[c:8]:[n:9]>>[O:1]-[C:2](=[O:3])-[C:4]=[N+:12]=[N-:11].[C:5](-[C:6])=[C:10]-[c:7]:[c:8]:[n:9]	1	30949
+[n:1]:1:[c:2]:[c:3]:[c:4]:[c:5]:1-[C:6]-[C:7](=[O:8])-[O:9]>>[C:6](-[C:7](=[O:8])-[O:9])=[N+:11]=[N-:10].[n:1]:1:[c:2]:[c:3]:[c:4]:[c:5]:1	1	30950
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5]-1-[C:6](-[O:8])=[O:9]):[n:7]>>[C:5](-[C:6](-[O:8])=[O:9])=[N+:11]=[N-:10].[c:1]:[c:2](-[C:3]=[C:4]):[n:7]	1	30951
+[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[n:6]:1:[c:7]:[c:8]:[c:9]:[c:11]:1:[c:10]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5]-[Br:12].[n:6]:1:[c:7]:[c:8]:[c:9]:[c:11]:1:[c:10]	1	30958
+[C:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5](:[n:6]:[c:7]:1-[C:8]):[n:9]:[c:10]:[c:11]:[c:12]:2>>[C:1]-[C:2]-[C:7](-[C:8])=[O:13].[C:3](-[c:4]:1:[c:5](-[N:6]):[n:9]:[c:10]:[c:11]:[c:12]:1)=[O:14]	1	30959
+[C:1](=[O:2])(-[C:3]-[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1)-[O:9]>>[C:1](=[O:2])(-[C:3]-[Cl:10])-[O:9].[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1	1	30996
+[O:1]=[C:2](-[c:3]:1:[c:4]:[c:5](:[c:6](:[c:7]):[o:9]:1):[c:8])-[O:10]>>[O:1]=[C:2](-[C:3]-[Cl:11])-[O:10].[C:4](-[c:5](:[c:6](:[c:7])-[O:9]):[c:8])=[O:12]	1	30997
+[O:1]=[C:2](-[N:3]-[c:4]:[c:5]:[n:6])-[C:7]>>[O:1]=[C:2](-[C:7])-[O:10]-[C:9]-[C:8].[N:3]-[c:4]:[c:5]:[n:6]	1	30999
+[n:1]:1:[c:2](-[C:3]):[n:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:2](-[C:3])(-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:9]-[C:10].[N:1]-[c:6](:[c:5](-[N:4]):[c:8]):[c:7]	1	31006
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10]	1	31007
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[n:5]:[c:6](-[C:7]):[n:8]:2):[c:9]:[n:10]:1>>[C:6](-[C:7])(-[O:15]-[C:14]-[C:13])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:11]-[C:12].[c:1]:1:[c:2]:[c:3](:[c:4](-[N:5]):[c:9]:[n:10]:1)-[N:8]	1	31009
+[C:1]-[c:2]:1:[c:3]:[n:4](-[C:5]):[c:6](:[c:7]):[c:9]:1:[c:8]>>[C:1]-[C:2]-[C:3](-[O:12]-[C:11]-[C:10])-[O:13]-[C:14]-[C:15].[N:4](-[C:5])(-[c:6](:[c:7]):[c:9]:[c:8])-[N:16]	1	31013
+[C:1]-[n:2]:1:[n:3]:[c:4](-[c:5]:[c:7]:[n:6]):[c:8]:[c:9]:1-[N:10]>>[C:1]-[N:2]-[N:3].[C:4](-[c:5]:[c:7]:[n:6])(-[C:8]-[C:9]#[N:10])=[O:11]	1	31014
+[O:1]-[C:2]-[C:3]>>[O:1]-[C:2](-[C:3])-[O:6]-[C:5]-[C:4]	1	31015
+[c:1]:[c:2](-[n:3]:1:[c:4]:[n:5]:[n:6]:[n:7]:1):[n:8]>>[N-:5]=[N+:6]=[N:7]-[Si:11](-[C:10])(-[C:12])-[C:13].[C:4](-[O:16]-[C:15]-[C:14])(-[O:17]-[C:18]-[C:19])-[O:20]-[C:21]-[C:9].[c:1]:[c:2](-[N:3]):[n:8]	1	31018
+[n:1]:[c:2](-[n:3]:1:[c:4]:[n:5]:[n:6]:[n:7]:1):[c:8]>>[n:1]:[c:2](-[N:3]):[c:8].[C:4](-[O:11]-[C:10]-[C:9])(-[O:12]-[C:13]-[C:14])-[O:15]-[C:16]-[C:17].[N-:5]=[N+:6]=[N-:7]	1	31019
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[c:8]:[s:9]:2)-[O:10]>>[C:3](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[C:1](-[N:2])(-[c:6]:1:[c:5](-[N:4]):[s:9]:[c:8]:[c:7]:1)=[O:10]	1	31023
+[n:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[o:7]:1):[c:8]:[n:9]>>[C:6](-[O:14]-[C:13]-[C:12])(-[O:15]-[C:16]-[C:17])-[O:18]-[C:10]-[C:11].[n:1]:[c:2](-[C:3](-[N:4]-[N:5])=[O:7]):[c:8]:[n:9]	1	31024
+[N:1]-[c:2]:1:[c:3](:[n:4]:[c:5]:[n:6]:1-[C:7])-[C:8](=[O:9])-[N:10]>>[C:5](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[N:1]#[C:2]-[C:3](-[N:4])-[C:8](=[O:9])-[N:10].[N:6]-[C:7]	1	31028
+[c:1]:1:[n:2]:[c:3]:2:[n:4]:[c:5]:[c:6]:[c:7]:[c:8]:2:[o:9]:1>>[C:1](-[O:12]-[C:11]-[C:10])(-[O:13]-[C:14]-[C:15])-[O:16]-[C:17]-[C:18].[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[O:9]	1	31033
+[n:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5](:[c:6]:1-[O:7]):[c:8]:[n:9]:[c:10]:[c:11]:2>>[C:2](-[O:14]-[C:13]-[C:12])(-[O:15]-[C:16]-[C:17])-[O:18]-[C:19]-[C:20].[N:1]-[C:6](-[c:5]:1:[c:4](-[N:3]):[c:11]:[c:10]:[n:9]:[c:8]:1)=[O:7]	1	31035
+[C:1]-1(-[C:2](=[C:3]-[N:4]-[c:5])-[C:8](-[O:7]-[C:20]-[O:10]-1)=[O:9])=[O:6]>>[C:1](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[N:4]-[c:5].[C:2]-1-[C:3](=[O:6])-[O:10]-[C:20]-[O:7]-[C:8]-1=[O:9]	1	31036
+[n:1]:[c:2]:1-[N:3]=[C:4]-[N:5](-[C:6])-[C:7](=[O:8])-[c:9]:1:[n:10]>>[C:4](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[n:1]:[c:2](-[N:3]):[c:9](-[C:7](-[N:5]-[C:6])=[O:8]):[n:10]	1	31039
+[c:1](-[c:2]:1:[n:3]:[o:4]:[c:5]:[n:6]:1):[c:7]:[n:8]>>[C:5](-[O:11]-[C:10]-[C:9])(-[O:12]-[C:13]-[C:14])-[O:15]-[C:16]-[C:17].[c:1](-[C:2](-[N:3]-[O:4])=[N:6]):[c:7]:[n:8]	1	31040
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[N:6]-[c:7])-[C:8]=[O:9]>>[C:5](-[O:12]-[C:11]-[C:10])(-[O:13]-[C:14]-[C:15])-[O:16]-[C:17]-[C:18].[O:1]-[C:2](=[O:3])-[C:4]-[C:8]=[O:9].[N:6]-[c:7]	1	31052
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:2:[c:6]:1:[n:7](-[C:8]):[c:9]:[n:10]:2>>[C:9](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1-[N:7]-[C:8])-[N:10]	1	31055
+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[n:5]:[c:6]:[n:7](-[C:8]):[c:9]:2:[n:10]:1>>[C:6](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[c:1]:1:[c:2]:[c:3]:[c:4](-[N+:5](=[O:20])-[O-:21]):[c:9](-[N:7]-[C:8]):[n:10]:1	1	31056
+[c:1]-[N:2]-[C:3]=[C:4](-[C:5]#[N:6])-[C:7](-[N:8])=[O:9]>>[C:3](-[O:12]-[C:11]-[C:10])(-[O:13]-[C:14]-[C:15])-[O:16]-[C:17]-[C:18].[C:4](-[C:5]#[N:6])-[C:7](-[N:8])=[O:9].[c:1]-[N:2]	1	31060
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[n:5]:[c:6]:[n:7](-[C:8]):[c:9]:2:[n:10]:1>>[C:6](-[O:11]-[C:19]-[C:18])(-[O:12]-[C:13]-[C:14])-[O:15]-[C:16]-[C:17].[c:1]:1:[n:2]:[c:3]:[c:4](-[N:5]):[c:9](-[N:7]-[C:8]):[n:10]:1	1	31061
+[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:2:[n:7]:[n:8]:[c:9]:[n:10]:1:2>>[C:9](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6](-[N:7]-[N:8]):[n:10]:1	1	31069
+[c:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:2>>[C:3](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[c:1]-[N:2]-[c:6]:1:[c:5](-[N:4]):[c:10]:[n:9]:[c:8]:[c:7]:1	1	31074
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+[c:1]:1:[c:2]:[n:3]:2:[n:4]:[c:5]:[c:6](-[C:7]#[N:8]):[c:9](-[Cl:10]):[c:11]:2:[c:12]:1>>[c:1]:1:[c:2]:[n:3]:2-[N:4]-[C:5]=[C:6](-[C:7]#[N:8])-[C:9](-[c:11]:2:[c:12]:1)=[O:17].[Cl:10]-[P:14](=[O:13])(-[Cl:15])-[Cl:16]	1	31095
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+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[N:6]-[c:7]):[n:8]>>[c:1]:[c:2](-[N:3]):[n:8].[C:4](=[O:5])=[N:6]-[c:7]	1	31115
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+[c:1]:1:[c:2]:[s:3]:[c:4]-2:[c:5]:1-[N:6](-[C:7])-[C:8]=[C:9](-[C:10](=[O:11])-[O:14])-[C:12]-2=[O:13]>>[C:7]-[I:15].[c:1]:1:[c:2]:[s:3]:[c:4]:2:[c:5]:1:[n:6]:[c:8]:[c:9](-[C:10](=[O:11])-[O:14]):[c:12]:2-[O:13]	1	31121
+[c:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5](:[c:6]:1):[n:7]:[c:8](-[N:9]):[n:10]:2-[C:11]>>[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5](:[c:6]:1)-[N:7])-[N:10]-[C:11].[C:8](#[N:9])-[Br:12]	1	31149
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[n:7]:[c:8](-[N:9]-[c:10]):[n:11]:2>>[c:1]:1:[c:2]:[c:3](:[c:4](:[c:5]:[n:6]:1)-[N:7])-[N:11].[C:8](=[N:9]-[c:10])=[S:12]	1	31154
+[N+:1](-[c:2]:1:[c:3]:[c:4]:[c:5]:[s:6]:1)(=[O:7])-[O-:8]>>[c:2]:1:[c:3]:[c:4]:[c:5]:[s:6]:1.[N+:1](=[O:7])(-[O-:8])-[O:9]	1	31162
+[c:1]:[c:2]:1:[n:3]:[c:4](-[n:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:2):[n:10]:[c:11]:[c:12]:1>>[n:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1.[c:1]:[c:2]:1:[n:3]:[c:4](:[n:10]:[c:11]:[c:12]:1)-[Cl:13]	1	31169
+[c:1]:1(:[n:2]:[c:3](:[c:4]):[c:6](:[c:5]):[n:7]:2:[n:8]:[c:9]:[c:10]:[c:11]:1:2)-[Cl:12]>>[C:1]-1(-[N:2]-[c:3](:[c:4]):[c:6](:[c:5])-[n:7]:2:[n:8]:[c:9]:[c:10]:[c:11]-1:2)=[O:14].[Cl:12]-[P:16](-[Cl:13])(=[O:15])-[Cl:17]	1	31177
+[C:1]-[C:2](-[C:3](-[C:4])=[O:6])-[C:5]=[O:7]>>[C:5](-[O:7]-[C:9]-[C:8])=[O:10].[C:1]-[C:2]-[C:3](-[C:4])=[O:6]	1	31182
+[O:1]=[C:2]-[C:3](-[C:4]#[N:5])-[c:6]>>[O:1]=[C:2]-[O:9]-[C:8]-[C:7].[C:3](-[C:4]#[N:5])-[c:6]	1	31191
+[C:1](=[O:2])-[C:3](-[C:4]=[O:5])-[C:6]>>[C:4](=[O:5])-[O:9]-[C:8]-[C:7].[C:1](=[O:2])-[C:3]-[C:6]	1	31198
+[O:1]=[C:2]-[O:3]-[C:4]>>[C:4]-[C:8]-[O:7]-[C:6]-[C:5].[O:1]=[C:2]-[O:3]	1	31200
+[C:1]-[C:2](-[C:3])(-[O:4])-[c:5]>>[C:3]-[C:13]-[O:12]-[C:11]-[C:10].[C:1]-[Mg:9]-[Br:8].[C:2](=[O:4])(-[c:5])-[O:7]-[C:6]	1	31203
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+[c:1]:[c:2](-[P:3](-[c:4])-[c:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[F:7].[P:3](-[c:4])-[c:5]	1	31221
+[C:1]-[c:2]:1:[c:3]:[c:4](-[C:5]#[N:6]):[n:7]:[c:8](:[c:9]):[c:11]:1:[c:10]>>[C:1]-[C:2]-1=[C:3]-[C:4](=[C:5]=[N-:6])-[N+:7](-[c:8](:[c:9]):[c:11]-1:[c:10])=[O:12]	1	31227
+[C:1]-[C:2](-[N:3])=[S:4]>>[S:4]=[P:8](-[O:7]-[C:6]-[C:5])(-[S:9])-[O:10]-[C:11]-[C:12].[C:1]-[C:2]#[N:3]	1	31231
+[c:1]:[c:2](-[P:3](-[C:4])(=[O:5])-[O:6]):[c:7]>>[P:3](-[C:4])(=[O:5])-[O:6].[c:1]:[c:2](:[c:7])-[I:8]	1	31236
+[C:1]-[N:2]-[C:3](=[C:4]-[N+:5])-[S:6]>>[C:1]-[N:2].[C:3](=[C:4]-[N+:5])(-[S:6])-[S:9](=[O:7])-[C:8]	1	31248
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]=[C:6]-[C:7]>>[C:1]-[N:2].[C:3](=[O:4])(-[C:5]=[C:6]-[C:7])-[O:8]	1	31252
+[P:1]-[O:2]-[C:3]-[C:4]>>[P:1]-[O:2].[C:3](-[C:4])-[O:5]	1	31253
+[C:1]-[S:2]-[C:3](=[O:4])-[c:5](:[c:6]):[s:7]>>[C:1]-[S:2].[C:3](=[O:4])(-[c:5](:[c:6]):[s:7])-[Cl:8]	1	31255
+[C:1]-[S:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[C:1]-[S:2].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:8]	1	31259
+[C:1]-[S:2](=[O:3])(=[O:4])-[C:5]-[C:6]>>[C:1]-[S:2](=[O:3])-[O:4].[C:5](-[C:6])-[Br:7]	1	31260
+[O:1]-[C:2]-1(-[c:3](:[c:4]:[n:5]):[n:6])-[C:7]-[C:8]-1>>[C:7](-[C:8])-[Mg+:10].[O:1]-[C:2](-[c:3](:[c:4]:[n:5]):[n:6])=[O:9]	1	31264
+[C:1]-[C:2]-[C:3](-[c:4])(-[c:5])-[N:9]-[C:7](-[N:6])=[O:8]>>[C:1]-[C:2]-[Mg:11]-[Br:10].[C:3](-[c:4])(-[c:5])(-[N:9]-[C:7](-[N:6])=[O:8])-[O:12]	1	31268
+[c:1]-[C:2]-1(-[O:3])-[C:4]-[C:5]-1>>[C:4]-[C:5]-[Mg:7]-[Br:6].[c:1]-[C:2](=[O:3])-[O:9]-[C:8]	1	31281
+[C:1]-[C:2]-[C:3](-[C:4](=[C:5](-[C:6])-[C:7])-[N:8])-[O:9]>>[C:1]-[C:2]-[Mg:11]-[Br:10].[C:3](-[C:4](=[C:5](-[C:6])-[C:7])-[N:8])=[O:9]	1	31290
+[N:1]-[C:2]-1(-[c:3](:[n:4]):[n:5])-[C:6]-[C:7]-1>>[C:6](-[C:7])-[Mg:9]-[Br:8].[N:1]#[C:2]-[c:3](:[n:4]):[n:5]	1	31292
+[N:1]-[C:2]-1(-[c:3](:[n:4]):[o:5])-[C:6]-[C:7]-1>>[C:6](-[C:7])-[Mg:9]-[Br:8].[N:1]#[C:2]-[c:3](:[n:4]):[o:5]	1	31293
+[C:1]-[C:2]-[C:3](-[c:4]:[c:6]:[n:5])-[O:7]>>[C:1]-[C:2]-[Mg:9]-[Cl:8].[C:3](-[c:4]:[c:6]:[n:5])=[O:7]	1	31294
+[O:1]-[C:2](-[c:3])-[C:4](-[C:5])-[N+:6]>>[C:4](-[C:5])-[N+:6].[O:1]=[C:2]-[c:3]	1	31298
+[C:1]-[C:2]-[O:3]-[c:4](:[c:5]):[n:6]>>[C:1]-[C:2]-[O+:9](-[C:8]-[C:7])-[C:10]-[C:11].[O:3]-[c:4](:[c:5]):[n:6]	1	31299
+[C:1]-[c:2]:1:[c:3](:[n:4]:[c:5]:2:[c:6]:1:[c:7]:[n:8]:[c:9]:[c:10]:2)-[Si:12](-[C:11])(-[C:13])-[C:14]>>[C:1]-[C:2]#[C:3]-[Si:12](-[C:11])(-[C:13])-[C:14].[N:4]-[c:5]:1:[c:6](:[c:7]:[n:8]:[c:9]:[c:10]:1)-[I:15]	1	31300
+[C:1]#[C:2]>>[C:1](#[C:2])-[Si:5](-[C:4]-[C:3])(-[C:6]-[C:7])-[C:8]-[C:9]	1	31301
+[c:1]:1:[c:2]:[c:3](-[C:4]=[O:5]):[c:6]:[s:7]:1>>[c:1]:1:[c:2]:[c:3](:[c:6]:[s:7]:1)-[Br:8].[C:4](=[O:5])-[N:10](-[C:9])-[C:11]	1	31305
+[c:1](-[C:2]-[O:3]):[c:4]:[s:5]>>[c:1](-[C:2]=[O:3]):[c:4]:[s:5]	1	31306
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+[c:1](-[N:2]-[c:3]:1:[c:4]:[c:5](:[c:6]:[c:7]:[n:8]:1):[n:9]):[c:10]:[n:11]>>[c:1](-[N:2]):[c:10]:[n:11].[c:3]:1(:[c:4]:[c:5](:[c:6]:[c:7]:[n:8]:1):[n:9])-[Cl:12]	1	31320
+[c:1](:[n:2]):[c:3]-[C:4]-[N:5]=[N+:7]=[N-:6]>>[c:1](:[n:2]):[c:3]-[C:4]-[O:8].[N-:5]=[N+:7]=[N-:6]	1	31325
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[c:7]>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1.[C:6](-[c:7])-[O:12]-[S:9](-[C:8])(=[O:10])=[O:11]	1	31335
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+[c:1]-[N:2]-[C:3](=[C:4](-[C:5]#[N:6])-[S:7])-[S:9]-[C:8]>>[c:1]-[N:2]=[C:3]=[S:9].[C:8]-[I:10].[C:4](-[C:5]#[N:6])-[S:7]	1	31356
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5])(-[C:6])-[c:7]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5])-[c:7].[C:6]-[I:8]	1	31357
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+[C:1]-[N:2]-1-[C:3]=[C:4]-[C:5](=[C:6](-[N+:7])-[C:8]-1=[O:9])-[Cl:10]>>[C:1]-[I:11].[n:2]:1:[c:3]:[c:4]:[c:5](:[c:6](-[N+:7]):[c:8]:1-[O:9])-[Cl:10]	1	31395
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+[C:1]-[C:2]-1=[C:3](-[c:4])-[C:5](=[O:6])-[c:7](:[c:8]):[c:10](:[c:9])-[N:11]-1-[C:12]>>[C:12]-[I:13].[C:1]-[c:2]:1:[c:3](-[c:4]):[c:5](-[O:6]):[c:7](:[c:8]):[c:10](:[c:9]):[n:11]:1	1	31465
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+[C:1]-[n:2]:1:[n:3]:[c:4](-[O:5]-[C:6]):[c:7](:[c:8]):[c:10]:1:[c:9]>>[C:6]-[I:11].[C:1]-[N:2]-1-[N:3]-[C:4](=[O:5])-[c:7](:[c:8]):[c:10]-1:[c:9]	1	31473
+[C:1]-[S:2]-[c:3]:1:[n:4]:[c:5]:2:[c:6](:[o:7]:1):[c:8]:[n:9]:[c:10]:[c:11]:2>>[C:1]-[I:12].[S:2]=[C:3]-1-[N:4]-[c:5]:2:[c:6](-[O:7]-1):[c:8]:[n:9]:[c:10]:[c:11]:2	1	31477
+[C:1]-[c:2]:1:[c:3]:[c:4](:[n:5]:[c:6](:[n:7]:1)-[S:10]-[C:9])-[O:8]>>[C:9]-[I:11].[C:1]-[C:2]-1=[C:3]-[C:4](-[N:5]-[C:6](-[N:7]-1)=[S:10])=[O:8]	1	31479
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+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[c:6](-[N:7]-[c:8]):[n:9]:[c:10]:[c:11]:1>>[N:5]-[C:6](=[N:7]-[c:8])-[N:9].[n:1]:[c:2]:[c:3]-[C:4](-[C:11]=[C:10]-[N:13](-[C:12])-[C:14])=[O:15]	1	31999
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+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:[n:6]:1>>[c:1]-[C:2](-[N:6]=[C:5]-[N:8](-[C:7])-[C:9])=[O:10].[N:3]-[N:4]	1	32025
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+[n:1]:1:[c:2](-[C:3]=[O:4]):[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]>>[C:3](=[O:4])-[N:11](-[C:10])-[C:12].[n:1]:1:[c:2]:[n:5]:[c:6](:[c:7]:1:[c:8]):[c:9]	1	32147
+[N:1]-[C:2](-[c:3])=[O:4]>>[N:1](-[C:5])(-[C:6])-[C:7]=[O:8].[C:2](-[c:3])(-[O:4])=[O:9]	1	32153
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+[c:1]:[c:2](-[C:3](=[O:4])-[c:5]):[n:6]>>[O:4]=[C:10]-[N:8](-[C:7])-[C:9].[c:1]:[c:2](-[C:3](-[c:5])-[C:12]#[N:11]):[n:6]	1	32157
+[N:1]-[C:2]=[C:3](-[C:4]-1=[N:5]-[N:6]-[C:7](=[O:8])-[O:9]-1)-[C:10]=[C:11]>>[C:7](=[O:8])-[N:13](-[C:12])-[C:14].[N:1]-[C:2]=[C:3](-[C:4](-[N:5]-[N:6])=[O:9])-[C:10]=[C:11]	1	32160
+[O:1]=[C:2]-[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8]>>[O:1]=[C:2]-[N:12](-[C:11])-[C:13].[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8]	1	32169
+[c:1](:[c:2](-[C:3]=[O:4]):[c:5]):[c:6]:[o:7]>>[C:3](=[O:4])-[N:10](-[C:9])-[C:11].[c:1](:[c:2](:[c:5])-[Br:8]):[c:6]:[o:7]	1	32170
+[n:1]:1:[c:2]:[c:3](-[C:4]=[O:5]):[c:6](:[c:7]:[n:8]):[c:9]:1>>[C:4](=[O:5])-[N:12](-[C:11])-[C:13].[n:1]:1:[c:2]:[c:3](:[c:6](:[c:7]:[n:8]):[c:9]:1)-[Br:10]	1	32182
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+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5]-[C:6]-1>>[c:1]-[C:2](-[C:6]-[C:5]-[N:8](-[C:7])-[C:9])=[O:10].[N:3]-[N:4]	1	32272
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+[C:1]-[C:2](-[N:3])=[O:4]>>[N:3](-[C:6]-[C:5])=[C:7]=[N:8]-[C:9]-[C:10]-[C:11]-[N:12](-[C:13])-[C:14].[C:1]-[C:2](=[O:4])-[O:15]	1	32294
+[n:1]:[c:2](-[C:3](-[N:4])=[O:6]):[c:5]>>[N:4](-[C:8]-[C:7])=[C:9]=[N:10]-[C:11]-[C:12]-[C:13]-[N:14](-[C:15])-[C:16].[n:1]:[c:2](-[C:3](=[O:6])-[O:17]):[c:5]	1	32295
+[C:1]=[C:2]-[C:3](=[O:4])-[N:5]>>[C:1](-[C:2]-[C:3](=[O:4])-[N:5])-[O:7]-[C:6]	1	32296
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+[n:1]:[c:2]:[c:3](-[O:4]-[C:5]-[C:6]):[c:7]:[n:8]>>[C:5](-[C:6])-[Cl:9].[n:1]:[c:2]:[c:3](-[O:4]):[c:7]:[n:8]	1	32314
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+[n:1]:[c:2]:[c:3](-[C:4]#[N:5]):[c:6]:[n:7]>>[n:1]:[c:2]:[c:3](:[c:6]:[n:7])-[Cl:8].[C-:4](#[N:5])~[Zn+2:11]~[C-:10]#[N:9]	1	32343
+[C:1]-[N:2]-[c:3]:1:[c:4](-[c:5]:2:[n:6]:[c:7]:3:[c:8]:[c:9]-4:[c:10](:[c:11]:[c:12]:3:[n:13]:2)-[C:14](=[O:15])-[N:16]-[C:17]-4=[O:18]):[c:19]:[n:20]:[c:21]:[c:22]:1>>[c:3]:1(:[c:4](-[c:5]:2:[n:6]:[c:9]:3:[c:8]:[c:7]-4:[c:10](:[c:11]:[c:12]:3:[n:13]:2)-[C:14](=[O:15])-[N:16]-[C:17]-4=[O:18]):[c:19]:[n:20]:[c:21]:[c:22]:1)-[Cl:23].[C:1]-[N:2]	1	32353
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+[C:1](=[O:2])(-[C:3]=[C:4])-[N:6](-[O:5])-[C:7]>>[O:5]-[N:6].[C:1](=[O:2])(-[C:3]=[C:4])-[O:16].[C:7]-[N:9](-[C:8])-[c:10]:1:[c:11]:[c:12]:[n:13]:[c:14]:[c:15]:1	1	33261
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+[C:1]-[C:2]=[C:3](-[C:4])-[C:5]-[P:6](=[O:7])(-[O:8])-[O:9]>>[P:6](-[O:7]-[C:11])(-[O:8])-[O:9].[C:1]-[C:2]=[C:3](-[C:4])-[C:5]-[Br:10]	1	33279
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+[C:1]-[C:2]=[C:3](-[c:4])-[c:5]>>[C:3](-[c:4])(-[c:5])=[O:6].[C:1]-[C:2]-[P+:11](-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:25]:[c:24]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	33333
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+[c:1]:[c:8]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]#[C:7]-[Si:10](-[C:9])(-[C:11])-[C:12]>>[c:1]:[c:8]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[I:13].[C:6]#[C:7]-[Si:10](-[C:9])(-[C:11])-[C:12]	1	33355
+[c:1]:[c:6]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[I:7]>>[c:1]:[c:6]:1:[n:2]:[n:3]:[c:4]:[c:5]:1.[I:7]-[N:14]-1-[C:9](=[O:8])-[C:10]-[C:11]-[C:12]-1=[O:13]	1	33356
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[s:8]:1):[c:7]>>[c:1]-[C:2](=[O:9])-[O:10].[N:3]-[c:4](:[c:5](:[c:6])-[S:8]):[c:7]	1	33378
+[c:1]:1:[c:2](:[c:3]:[n:4]):[c:5](-[I:6]):[n:7]:[n:8]:1>>[c:1]:1:[c:2](:[c:3]:[n:4]):[c:5]:[n:7]:[n:8]:1.[I:6]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	1	33393
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+[O:1]-[C:2](=[O:3])-[C:4](=[C:5])-[N:9](-[C:7](-[c:6])=[O:8])-[C:10]>>[N:9]-[C:10].[O:1]-[C:2](=[O:3])-[C:4](=[C:5])-[O:11]-[C:7](-[c:6])=[O:8]	1	33403
+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]:[c:8]:[n:7]):[n:9]:1>>[N:1]-[C:2](=[N:9])-[S:11]-[C:10].[N:3]-[N:4]-[C:5](-[c:6]:[c:8]:[n:7])=[O:12]	1	33404
+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7]=[C:8]>>[c:1]-[C:2](=[O:3])-[O:9].[N:4](-[C:5])-[C:6]-[C:7]=[C:8]	1	33414
+[c:1]-[N:2](-[C:3](=[O:4])-[c:5])-[c:6](:[n:7]):[s:8]>>[c:1]-[N:2]-[c:6](:[n:7]):[s:8].[C:3](=[O:4])(-[c:5])-[Cl:9]	1	33421
+[N:1](-[c:2]:1:[c:3]:[c:4]:[c:5]:2:[n:6]:[c:7](-[O:8]):[c:9]:[c:10]:[c:11]:2:[c:12]:1)-[C:13]=[O:14]>>[N:1](-[C:2]=1-[C:3]=[C:4]-[C:5]-2=[N+:6](-[C:7](=[O:8])-[C:9]-[C:10]=[C:11]-2-[C:12]=1)-[O-:15])-[C:13]=[O:14]	1	33424
+[C:1](-[C:2](-[c:3](:[c:4]):[c:5])-[C:6])=[O:7]>>[C:1](-[C:2]-[C:6])=[O:7].[c:3](:[c:4])(:[c:5])-[Br:8]	1	33430
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+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:7](=[O:8])-[O:9]>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1.[C:7](=[O:8])(-[O:9])-[Cl:10]	1	33458
+[c:1]-1:[c:2](:[c:3])-[O:4]-[C:5](=[O:6])-[C:7](-[c:8](:[c:9]:[n:10]):[c:12]:[n:11])=[C:13]-1-[C:14]>>[c:1](:[c:2](:[c:3])-[O:16])-[C:13](-[C:14])=[O:15].[O:4]-[C:5](=[O:6])-[C:7]-[c:8](:[c:9]:[n:10]):[c:12]:[n:11]	1	33469
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+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[C:6]):[n:7]:[n:8]:[c:9]:1-[O:10]>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5](-[C:6])=[O:13])-[C:9](=[O:10])-[O:12]-[C:11].[N:7]-[N:8]	1	33471
+[c:1]-[C:2](=[O:3])-[C:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[N:8](-[O:7]-[C:6])-[C:9].[C:4](-[c:5])-[Mg:11]-[Cl:10]	1	33473
+[c:1]-[C:7]-1-[C:3](-[C:2]=[O:8])-[C:4]-[N:5]-[C:6]-1>>[c:1]-[C:7]=[C:3]-[C:2]=[O:8].[C:4](-[N:5]-[C:6]-[Si:11](-[C:12])(-[C:13])-[C:14])-[O:10]-[C:9]	1	33510
+[c:1]-[c:2]:1:[n:3]:[n:4](:[c:5]:[c:6]):[c:8](:[c:7]):[n:9]:1>>[c:1]-[C:2](=[O:10])-[Cl:11].[N:3]-[n+:4](:[c:5]:[c:6]):[c:8](:[c:7])-[N:9]	1	33521
+[C:1]-[N:5](-[C:3](-[C:2])=[O:4])-[C:6]-[c:7]:[c:9]:[n:8]>>[C:1]-[N:5].[C:2]-[C:3](=[O:4])-[O:11]-[C:10].[C:6](-[c:7]:[c:9]:[n:8])=[O:12]	1	33545
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[c:6]:[c:8]:[n:7]):[c:9]:[s:10]:1>>[c:1]:[c:2](:[c:3]:[c:4])-[S:10]-[C:9]-[C:5](-[c:6]:[c:8]:[n:7])=[O:11]	1	33566
+[c:1]:[c:4]:1:[c:3](:[c:2]):[o:11]:[c:6](:[n:5]:1)-[C:7](-[F:8])(-[F:9])-[F:10]>>[c:1]:[c:4](:[c:3](:[c:2])-[O:11])-[N:5].[C:6](-[C:7](-[F:8])(-[F:9])-[F:10])(=[O:12])-[O:13]	1	33569
+[c:1]:1:[n:2]:[c:3]:[n:4](-[C:5]-[C:6]):[c:7]:1:[n:8]>>[c:1]:1:[n:2]:[c:3]:[n:4]:[c:7]:1:[n:8].[C:5](-[C:6])-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12]	1	33593
+[c:1]-[C:2](-[N:3])=[O:4]>>[O:4]=[S:6](-[C:5])-[C:7].[c:1]-[C:2]#[N:3]	1	33609
+[O:1]-1-[C:2](-[C:3])(-[C:4]-1)-[c:5](:[c:6]):[s:7]>>[C:4]-[S:9](-[C:8])=[O:10].[O:1]=[C:2](-[C:3])-[c:5](:[c:6]):[s:7]	1	33610
+[c:1]:[c:2](-[S:3](-[C:4])(=[O:5])=[O:6]):[c:7]:[n:8]>>[S:3](-[C:4])(=[O:5])-[O:6].[c:1]:[c:2](:[c:7]:[n:8])-[Br:9]	1	33617
+[C:1]-[S:2](=[O:3])(=[O:4])-[c:5](:[c:6]):[c:7]>>[C:1]-[S:2](-[O:3])=[O:4].[c:5](:[c:6])(:[c:7])-[I:8]	1	33618
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[O:5]-1>>[C:4]-[S:7]-[C:6].[C:1]-[C:2](-[C:3])=[O:5]	1	33621
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5])=[C:6](-[N:7]-[c:8])-[S:9]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5])=[C:6](-[S:9])-[S:11]-[C:10].[N:7]-[c:8]	1	33622
+[c:1](:[n:2]):[c:3]-[C:4](-[C:5])-[O:6]>>[C:5]-[Mg:8]-[Cl:7].[c:1](:[n:2]):[c:3]-[C:4]=[O:6]	1	33633
+[C:1](-[C:2])(-[O:3])-[C:4]>>[C:2]-[Mg:6]-[Cl:5].[C:1](=[O:3])-[C:4]	1	33636
+[C:1]-[C:2](-[C:3])(-[O:4])-[C:5]>>[C:1]-[Mg:7]-[Cl:6].[C:2](-[C:3])(=[O:4])-[C:5]	1	33637
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[c:6]:[c:7]:[n:8])-[c:9]>>[C:5](-[c:6]:[c:7]:[n:8])-[N+:11](-[C:10])(-[C:12])-[C:13].[N:1]-[C:2](=[O:3])-[N:4]-[c:9]	1	33640
+[c:1]:[c:2](:[c:3])-[N:4]>>[N:4]-[N+:5](-[C:6])(-[C:7])-[C:8].[c:1]:[c:2]:[c:3]	1	33641
+[O:1]-[C:2](=[O:3])-[C:4]-1-[C:5]-[C:6]-1-[c:7]>>[C:5]-[S+:9](-[C:8])(-[C:10])=[O:11].[O:1]-[C:2](=[O:3])-[C:4]=[C:6]-[c:7]	1	33647
+[c:1]-[C:2]-1(-[c:3])-[C:4]-[O:5]-1>>[C:4]-[S+:7](-[C:6])-[C:8].[c:1]-[C:2](-[c:3])=[O:5]	1	33651
+[c:1]-[C:2]-1-[C:3]-[O:4]-1>>[C:3]-[S+:6](-[C:5])-[C:7].[c:1]-[C:2]=[O:4]	1	33652
+[c:1]:1(:[n:2]:[c:3]:[c:4]:[c:5]:2:[n:6]:[n:7]:[c:8]:[c:9]:1:2)-[Br:10]>>[Br:10]-[Si:12](-[C:11])(-[C:13])-[C:14].[c:1]:1(:[n:2]:[c:3]:[c:4]:[c:5]:2:[n:6]:[n:7]:[c:8]:[c:9]:1:2)-[Cl:15]	1	33653
+[c:1]-[C:2]-[Br:3]>>[Br:3]-[Si:5](-[C:4])(-[C:6])-[C:7].[c:1]-[C:2]-[O:8]	1	33654
+[n:1]:[c:2]:[c:7]:[c:4](:[c:3])-[C:5]#[C:6]-[Si:9](-[C:8])(-[C:10])-[C:11]>>[C:5]#[C:6]-[Si:9](-[C:8])(-[C:10])-[C:11].[n:1]:[c:2]:[c:7]:[c:4](:[c:3])-[I:12]	1	33661
+[C:1](-[c:2]:1:[c:3]:[n:4]:[n:5]:[c:6]:1)#[C:7]-[Si:9](-[C:8])(-[C:10])-[C:11]>>[C:1]#[C:7]-[Si:9](-[C:8])(-[C:10])-[C:11].[c:2]:1(:[c:3]:[n:4]:[n:5]:[c:6]:1)-[I:12]	1	33662
+[C:1]-[Si:2](-[C:3])(-[C:4])-[C:5]#[C:6]-[c:7]:1:[c:8]:[c:9]:[n:10]:[c:11]:[c:12]:1>>[C:1]-[Si:2](-[C:3])(-[C:4])-[C:5]#[C:6].[c:7]:1(:[c:8]:[c:9]:[n:10]:[c:11]:[c:12]:1)-[I:13]	1	33669
+[C:1](#[C:2]-[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1)-[Si:9](-[C:8])(-[C:10])-[C:11]>>[C:1](#[C:2])-[Si:9](-[C:8])(-[C:10])-[C:11].[c:3]:1(:[c:4]:[c:5]:[c:6]:[s:7]:1)-[Br:12]	1	33679
+[C:1]-[Si:2](-[C:3])(-[C:4])-[c:5]:1:[c:6]:[n:7](-[c:8]):[n:9]:[n:10]:1>>[C:1]-[Si:2](-[C:3])(-[C:4])-[C:5]#[C:6].[N:7](-[c:8])=[N+:9]=[N-:10]	1	33680
+[c:1](:[n:2]:[c:3](-[C:4]#[C:5]-[Si:9](-[C:8])(-[C:10])-[C:11]):[c:6]):[c:7]>>[C:4]#[C:5]-[Si:9](-[C:8])(-[C:10])-[C:11].[c:1](:[n:2]:[c:3](:[c:6])-[I:12]):[c:7]	1	33696
+[O:1]=[C:2]-1-[N:3]=[C:4](-[c:5])-[N:6]-[N:7]-1.[c:8]:[c:9](-[C:10]#[C:11]-[Si:14](-[C:13])(-[C:15])-[C:16]):[c:12]>>[C:10]#[C:11]-[Si:14](-[C:13])(-[C:15])-[C:16].[O:1]=[C:2]-1-[N:3]-[C:4](-[c:5])=[N:6]-[N:7]-1.[c:8]:[c:9](:[c:12])-[I:17]	1	33711
+[C:1](#[C:2]-[c:3](:[c:4]):[n:6]:[n:5])-[Si:8](-[C:7])(-[C:9])-[C:10]>>[C:1](#[C:2])-[Si:8](-[C:7])(-[C:9])-[C:10].[c:3](:[c:4])(:[n:6]:[n:5])-[Cl:11]	1	33719
+[C:1](#[C:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6])-[Si:9](-[C:8])(-[C:10])-[C:11]>>[C:1](#[C:2])-[Si:9](-[C:8])(-[C:10])-[C:11].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[Br:12]	1	33722
+[c:1]:1:[c:2]:[n:3]:[c:4]:2:[c:5](:[c:6]:1):[c:7](-[C:8]):[c:9](-[Si:10](-[C:11])(-[C:12])-[C:13]):[n:14]:2>>[C:7](-[C:8])#[C:9]-[Si:10](-[C:11])(-[C:12])-[C:13].[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5](:[c:6]:1)-[I:15])-[N:14]	1	33729
+[O:1]=[C:2](-[C:3])-[c:4]:1:[n:5]:[c:6]:[c:7]:[o:8]:1>>[O:1]=[C:2](-[C:3])-[Cl:9].[c:4]:1:[n:5]:[c:6]:[c:7]:[o:8]:1	1	33730
+[C:1]#[C:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[C:1]#[C:2]-[Si:8](-[C:7])(-[C:9])-[C:10].[c:3](:[c:4])(:[c:6]:[n:5])-[I:11]	1	33816
+[c:1]:[c:2]:1:[n:3]:[c:4](:[c:5](-[c:6]):[c:7]:1:[c:8])-[Si:10](-[C:9])(-[C:11])-[C:12]>>[C:4](#[C:5]-[c:6])-[Si:10](-[C:9])(-[C:11])-[C:12].[c:1]:[c:2](-[N:3]):[c:7](:[c:8])-[I:13]	1	33826
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[N+:6](-[C:7](=[C:8]=[N-:9])-[C:10](-[Cl:11])=[C:12]-1)=[O:18])-[Cl:13]>>[C:8](#[N:9])-[Si:15](-[C:14])(-[C:16])-[C:17].[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](:[n+:6](:[c:7]:[c:10](-[Cl:11]):[c:12]:1)-[O-:18])-[Cl:13]	1	33847
+[C:1]-[C:2]-1=[C:3](-[C:4]=[C:5]-[C:6](=[C:7]=[N-:8])-[N+:9]-1=[O:15])-[C:10]>>[C:7](#[N:8])-[Si:12](-[C:11])(-[C:13])-[C:14].[C:1]-[c:2]:1:[c:3](:[c:4]:[c:5]:[c:6]:[n+:9]:1-[O-:15])-[C:10]	1	33848
+[N-:1]=[C:2]=[C:3]-1-[N+:4](-[C:5](=[C:6]-[C:7](-[C:8](-[F:9])(-[F:10])-[F:11])=[C:12]-1)-[Cl:16])=[O:15]>>[N:1]#[C:2]-[Si:18](-[C:13])(-[C:14])-[C:17].[c:3]:1:[n+:4](:[c:5](:[c:6]:[c:7](-[C:8](-[F:9])(-[F:10])-[F:11]):[c:12]:1)-[Cl:16])-[O-:15]	1	33849
+[c:1]:1:[c:2]:2:[o:3]:[c:4](-[N:5]):[c:6](-[N:7]-[c:8]):[c:9]:2:[c:10]:[c:11]:[n:12]:1>>[C:4](#[N:5])-[Si:14](-[C:13])(-[C:15])-[C:16].[c:1]:1:[c:2](-[O:3]):[c:9](-[C:6]=[N:7]-[c:8]):[c:10]:[c:11]:[n:12]:1	1	33850
+[C:1]-[C:2]-1=[C:3]-[C:4](=[C:5]=[N-:6])-[N+:7](-[c:8](:[c:9]):[c:11]-1:[c:10])=[O:16]>>[C:5](#[N:6])-[Si:13](-[C:12])(-[C:14])-[C:15].[C:1]-[c:2]:1:[c:3]:[c:4]:[n+:7](:[c:8](:[c:9]):[c:11]:1:[c:10])-[O-:16]	1	33852
+[N:1]#[C:2]-[C:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1>>[N:1]#[C:2]-[Si:10](-[C:9])(-[C:11])-[C:12].[C:3](-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)-[O:13]	1	33854
+[C:1]-[C:2]-1=[C:3]-[C:4]=[C:5](-[C:6])-[C:9](=[C:7]=[N-:8])-[N+:10]-1=[O:15]>>[C:7](#[N:8])-[Si:12](-[C:11])(-[C:13])-[C:14].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]):[c:9]:[n+:10]:1-[O-:15]	1	33857
+[C:1]-[C:2]-1=[C:3]-[N+:4](-[C:5](=[C:6]=[N-:7])-[C:8]=[C:9]-1)=[O:14]>>[C:6](#[N:7])-[Si:11](-[C:10])(-[C:12])-[C:13].[C:1]-[c:2]:1:[c:3]:[n+:4](:[c:5]:[c:8]:[c:9]:1)-[O-:14]	1	33858
+[c:1]-[C:2]-1=[C:3](-[C:4])-[C:5]=[C:6]-[C:7](=[C:8]=[N-:9])-[N+:10]-1=[O:15]>>[C:8](#[N:9])-[Si:12](-[C:11])(-[C:13])-[C:14].[c:1]-[c:2]:1:[c:3](-[C:4]):[c:5]:[c:6]:[c:7]:[n+:10]:1-[O-:15]	1	33861
+[c:1]-[C:2](-[O:3])-[C:4]#[N:5]>>[C:4](#[N:5])-[Si:7](-[C:6])(-[C:8])-[C:9].[c:1]-[C:2]=[O:3]	1	33868
+[N:1]#[C:2]-[C:3](-[N:4]-[c:5])-[c:6]>>[N:1]#[C:2]-[Si:8](-[C:7])(-[C:9])-[C:10].[C:3](-[c:6])=[O:11].[N:4]-[c:5]	1	33869
+[N:1]#[C:2]-[C:3]-1-[C:4]=[C:5]-[c:6](:[c:7]):[c:9](:[c:8])-[N:10]-1-[C:11](=[O:12])-[c:13]>>[N:1]#[C:2]-[Si:18](-[C:14])(-[C:15])-[C:17].[C:11](=[O:12])(-[c:13])-[Cl:16].[c:3]:1:[c:4]:[c:5]:[c:6](:[c:7]):[c:9](:[c:8]):[n:10]:1	1	33870
+[c:1]-[C:2](-[N:3]-[c:4])-[C:6]#[N:5]>>[N:5]#[C:6]-[Si:8](-[C:7])(-[C:9])-[C:10].[c:1]-[C:2]=[N:3]-[c:4]	1	33873
+[c:1]:1:[n:2]:[n:3](-[C:4]):[n:5]:[n:6]:1>>[C:4](-[Si:8](-[C:7])(-[C:9])-[C:10])=[N+:11]=[N-:12].[c:1]:1:[n:2]:[n:3]:[n:5]:[n:6]:1	1	33875
+[C:1]-[Si:2](-[C:3])(-[C:4])-[C:5]-[C:6]=[C:7]-[C:8]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[C:5]-[C:6]=[C:9].[C:7](-[C:8])=[C:10]	1	33880
+[c:1]-[N:2]-[c:3](:[c:4]-[C:5](=[O:6])-[O:7]):[c:8]>>[c:1]-[N:2].[c:3](:[c:4]-[C:5](=[O:6])-[O-:7])(:[c:8])-[I+:13]-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:1	1	33884
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:6])-[C:7](-[c:8])-[C:9](-[C:10](-[N:11])=[O:12])=[C:13](-[N:14])-[N:15]-1-[c:16]>>[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[O:6])-[N:15]-[c:16].[C:9](-[C:10](-[N:11])=[O:12])-[C:13]#[N:14].[C:7](-[c:8])=[O:17]	1	33885
+[C:1](=[O:2])-[O:3]>>[C:1](=[O:2])-[O:3]-[C:9]-[C:8]-[Si:5](-[C:4])(-[C:6])-[C:7]	1	33889
+[O:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7]>>[O:1]-[C:2]-[Cl:9].[n:3]:1:[c:4]:[n:5]:[c:6]:[c:8]:1:[n:7]	1	33899
+[O:1]-[C:2]-[n:3]:1:[n:4]:[n:5]:[c:6]:[c:7]:1:[c:8]>>[O:1]-[C:2]-[Cl:9].[n:3]:1:[n:4]:[n:5]:[c:6]:[c:7]:1:[c:8]	1	33913
+[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:1-[C:7]-[O:8]):[n:9]>>[C:7](-[O:8])-[Cl:10].[n:1]:[c:2]:1:[c:3](:[c:4]:[c:5]:[n:6]:1):[n:9]	1	33925
+[N:1]-[c:2](:[c:3]):[n:4]>>[N:1](-[c:2](:[c:3]):[n:4])(-[C:5]-[O:6]-[C:7]-[C:8]-[Si:9](-[C:10])(-[C:11])-[C:12])-[C:20]-[O:19]-[C:18]-[C:17]-[Si:14](-[C:13])(-[C:15])-[C:16]	1	33930
+[C:1]-[C:2](-[N:3])-[c:4](:[n:5]):[c:6]>>[C:1]-[C:2](=[N:3]-[O:7])-[c:4](:[n:5]):[c:6]	1	33931
+[n:1]:[c:2]:[c:3]:1-[N:4]-[C:5](=[O:6])-[N:7]-[c:8]:1:[n:9]>>[n:1]:[c:2]:[c:3]:1-[N:4](-[C:5](=[O:6])-[N:7]-[c:8]:1:[n:9])-[C:17]-[O:16]-[C:15]-[C:14]-[Si:11](-[C:10])(-[C:12])-[C:13]	1	33939
+[c:1](:[n:2]):[c:3]-[O:4]-[C:5](=[N:6])-[N:9]-[C:7]=[O:8]>>[C:5](=[N:6])(-[N:9]-[C:7]=[O:8])-[Cl:10].[c:1](:[n:2]):[c:3]-[O:4]	1	33973
+[c:1]:[c:3](:[n:2])-[C:4](=[N:5]-[N:6])-[C:7]>>[c:1]:[c:3](:[n:2])-[C:4](-[C:7])=[O:8].[N:5]-[N:6]	1	33984
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:1-[C:14]-[O:13]-[C:12]-[C:11]-[Si:8](-[C:7])(-[C:9])-[C:10]	1	33985
+[c:1]:1:[n:2]:[c:3]:[c:5](:[n:4]):[n:6]:1>>[c:1]:1:[n:2]:[c:3]:[c:5](:[n:4]):[n:6]:1-[C:14]-[O:13]-[C:12]-[C:11]-[Si:8](-[C:7])(-[C:9])-[C:10]	1	33988
+[c:1]:1:[c:2]:[c:3](:[n:4]):[c:6](:[c:5]):[n:7]:1>>[c:1]:1:[c:2]:[c:3](:[n:4]):[c:6](:[c:5]):[n:7]:1-[C:15]-[O:14]-[C:13]-[C:12]-[Si:9](-[C:8])(-[C:10])-[C:11]	1	33989
+[c:1]:1:[c:2]:[c:3]:[c:4](:[c:5]:[n:6]):[n:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[c:5]:[n:6]):[n:7]:1-[C:15]-[O:14]-[C:13]-[C:12]-[Si:9](-[C:8])(-[C:10])-[C:11]	1	33999
+[c:1]:1:[c:2](-[N:3]-[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2):[n:9]:[c:10](:[c:11]):[c:12]:[n:13]:1>>[c:1]:1:[c:2](:[n:9]:[c:10](:[c:11]):[c:12]:[n:13]:1)-[Br:14].[N:3]-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1	1	34000
+[c:1](-[N:2]-[c:3]:1:[c:4]:[n:5]:[c:6]:[c:8](:[c:7]):[n:9]:1):[c:10]:[n:11]>>[c:3]:1(:[c:4]:[n:5]:[c:6]:[c:8](:[c:7]):[n:9]:1)-[Br:12].[c:1](-[N:2]):[c:10]:[n:11]	1	34006
+[c:1]:[c:9]:1:[c:2]:[n:3]:[c:4]:[c:5](-[N:6]-[c:7]):[n:8]:1>>[c:1]:[c:9]:1:[c:2]:[n:3]:[c:4]:[c:5](:[n:8]:1)-[Br:10].[N:6]-[c:7]	1	34007
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[c:6])-[c:7]:[c:8]:[n:9]>>[N:1]-[C:2](=[O:3])-[N:4]-[c:7]:[c:8]:[n:9].[C:5](-[c:6])-[Br:10]	1	34010
+[S:1]=[C:2]-1-[N:3]-[N:4]=[C:5]-2-[C:6]=[C:7]-[C:8](-[c:9]:3:[c:10]:[n:11]:[n:12]:[c:13]:3)=[N:14]-[N:15]-1-2>>[N:3]-[N:4]-[c:5]:1:[c:6]:[c:7]:[c:8](-[c:9]:2:[c:10]:[n:11]:[n:12]:[c:13]:2):[n:14]:[n:15]:1.[S:1]=[C:2]=[S:16]	1	34020
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[n:9]>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[n:9])-[Cl:10].[c:1]-[O:2]	1	34042
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[c:6](:[c:7]:[n:8]):[c:9]-1>>[C:1]-[N:2]-[c:9]:[c:6](-[C:3](=[O:4])-[O:17]):[c:7]:[n:8].[N:5](=[N+:19]=[N-:18])-[P:20](-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)(=[O:21])-[c:22]:2:[c:10]:[c:26]:[c:25]:[c:24]:[c:23]:2	1	34068
+[c:1]:1:[n:2]:[n:3]:[c:4](:[n:5]):[c:6]:1>>[c:1]:1:[n:2]:[n:3](:[c:4](:[n:5]):[c:6]:1)-[C:14]-[O:13]-[C:12]-[C:11]-[Si:8](-[C:7])(-[C:9])-[C:10]	1	34087
+[n:1]:1:[c:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[n:8]:1>>[n:1]:1:[c:2]:[c:3]:[c:4]:[n:8]:1.[c:5](:[c:6])(:[c:7])-[Br:9]	1	34099
+[c:1]:[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1>>[c:1]:[c:2]:1:[n:3](:[n:4]:[c:5]:[c:6]:1)-[C:14]-[O:13]-[C:12]-[C:11]-[Si:8](-[C:7])(-[C:9])-[C:10]	1	34106
+[N:1]-1-[C:2]-[C:3](-[C:4](=[O:5])-[C:6])-[C:8](-[C:7])-[C:9]-1>>[N:1](-[C:2]-[Si:18](-[C:10])(-[C:11])-[C:12])-[C:9]-[O:17]-[C:16]-[C:15]-[C:14]-[C:13].[C:3](-[C:4](=[O:5])-[C:6])=[C:8]-[C:7]	1	34111
+[C:1](-[n:2]:1:[c:3]:[c:4](-[c:5](:[c:6]):[n:7]):[n:8]:[n:9]:1)-[Si:11](-[C:10])(-[C:12])-[C:13]>>[C:1](-[N:2]=[N+:9]=[N-:8])-[Si:11](-[C:10])(-[C:12])-[C:13].[C:3]#[C:4]-[c:5](:[c:6]):[n:7]	1	34112
+[c:1](:[c:2]:[n:9])-[C:4](-[c:3])-[Si:5](-[C:6])(-[C:7])-[C:8]>>[Si:5](-[C:6])(-[C:7])(-[C:8])-[Cl:10].[c:1](:[c:2]:[n:9])-[C:4]-[c:3]	1	34124
+[C:1]=[C:2](-[C:3])-[O:4]-[Si:5](-[C:6])(-[C:7])-[C:8]>>[Si:5](-[C:6])(-[C:7])(-[C:8])-[Cl:9].[C:1]-[C:2](-[C:3])=[O:4]	1	34125
+[N:1]#[C:2]-[N:3]=[C:4](-[C:5])-[c:6]>>[N:1](=[C:2]=[N:3]-[Si:11](-[C:12])(-[C:13])-[C:14])-[Si:8](-[C:7])(-[C:9])-[C:10].[C:4](-[C:5])(-[c:6])=[O:15]	1	34132
+[C:1]-[N:2]-[C:3](-[N:4])=[O:5]>>[C:3](=[N:4]-[Si:7](-[C:6])(-[C:8])-[C:9])=[O:5].[C:1]-[N:2]	1	34134
+[c:1]-[n:2]:1:[c:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[F:8]):[n:9]:[n:10]:1>>[N:9](=[N+:10]=[N-:15])-[Si:12](-[C:11])(-[C:13])-[C:14].[C:3]#[C:4]-[C:5](-[F:6])(-[F:7])-[F:8].[c:1]-[N:2]	1	34136
+[c:1]-[c:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1>>[N-:4]=[N+:5]=[N:6]-[Si:8](-[C:7])(-[C:9])-[C:10].[c:1]-[C:2]#[C:3]	1	34137
+[N:1]-[C:2](=[O:3])-[C:4](-[c:5]:1:[n:6]:[n:7]:[n:8]:[n:9]:1)=[C:10]-[N:11]>>[N+:7](=[N:8]-[Si:13](-[C:12])(-[C:14])-[C:15])=[N-:9].[N:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])=[C:10]-[N:11]	1	34140
+[n:1]:1:[n:2]:[n:3]:[c:4](-[C:5]-[C:6](=[O:7])-[O:8]):[n:9]:1>>[N-:1]=[N+:2]=[N:3]-[Si:11](-[C:10])(-[C:12])-[C:13].[C:4](-[C:5]-[C:6](=[O:7])-[O:8])#[N:9]	1	34142
+[N-:1]=[N+:2]=[N:3]-[c:4]>>[N-:1]=[N+:2]=[N:9]-[Si:6](-[C:5])(-[C:7])-[C:8].[N:3]-[c:4]	1	34146
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[N-:4]=[N+:5]=[N:6]-[Si:8](-[C:7])(-[C:9])-[C:10].[c:1]-[C:2]#[N:3]	1	34153
+[O:1]=[C:2]-1-[N:3]-[N:4]=[N:5]-[N:6]-1-[c:7]>>[N:3](=[N+:5]=[N-:4])-[Si:9](-[C:8])(-[C:10])-[C:11].[O:1]=[C:2]=[N:6]-[c:7]	1	34156
+[c:1](-[c:2]:1:[c:3](-[c:4]):[n:5]:[n:6]:[n:7]:1):[c:8]:[n:9]>>[N:5](=[N+:6]=[N-:7])-[Si:11](-[C:10])(-[C:12])-[C:13].[c:1](-[C:2]#[C:3]-[c:4]):[c:8]:[n:9]	1	34158
+[C:1]-[Si:2](-[C:3])(-[C:4])-[O:5]-[C:6](=[O:7])-[C:8]=[C:9]>>[C:1]-[Si:2](-[C:3])(-[C:4])-[N:14]-[Si:11](-[C:10])(-[C:12])-[C:13].[O:5]-[C:6](=[O:7])-[C:8]=[C:9]	1	34162
+[N:1]-[C:2](=[N:3])-[c:4]>>[N:3](-[Si:6](-[C:5])(-[C:7])-[C:8])-[Si:9](-[C:10])(-[C:11])-[C:12].[N:1]#[C:2]-[c:4]	1	34165
+[C:1]-[C:5]#[C:4]-[C:2](-[c:3])=[O:6]>>[C:1]-[C:5]#[C:4].[C:2](-[c:3])(=[O:6])-[N:9](-[O:8]-[C:7])-[C:10]	1	34167
+[C:1]-[C:2]=[C:3]-[I:4]>>[C:1]-[C:2]#[C:3].[I:4]-[I:5]	1	34169
+[C:1]-[C:2](-[C:3])(-[C:4](=[O:5])-[O:9])-[C:6](-[c:7])-[c:8]>>[C:1]-[C:2](-[C:3])=[C:4](-[O:5]-[Si:11](-[C:10])(-[C:12])-[C:13])-[O:9].[C:6](-[c:7])(-[c:8])-[O:14]	1	34171
+[O:1]-[C:2](=[O:3])-[C:4]-[O:5]>>[O:1]-[C:2](=[O:3])-[C:4]-[O:5]-[Si:7](-[C:6])(-[C:8])-[C:9]	1	34172
+[C:1](=[O:2])(-[C:3](-[C:4])-[c:5])-[O:6]>>[C:1](-[C:3](-[C:4])(-[c:5])-[O:6]-[Si:8](-[C:7])(-[C:9])-[C:10])#[N:11].[O:2]=[C:13](-[C:12])-[O:14]	1	34176
+[C:1]=[C:2](-[O:3]-[Si:4](-[C:5])(-[C:6])-[C:7])-[c:8]>>[Si:4](-[C:5])(-[C:6])(-[C:7])-[O:12]-[S:10](=[O:9])(=[O:11])-[C:13](-[F:14])(-[F:15])-[F:16].[C:1]-[C:2](=[O:3])-[c:8]	1	34205
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[c:6]:1>>[c:1]:[c:2]:1:[n:3]:[c:4](:[c:5]:[c:6]:1)-[Si:8](-[C:7])(-[C:9])-[C:10]	1	34206
+[n:1]:[n:2]:[c:3](-[c:4](:[n:5]:[c:6]:[c:7]):[c:8]):[c:9]>>[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Zn+:10].[n:1]:[n:2]:[c:3](:[c:9])-[Cl:11]	1	34208
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:[c:6]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:6]:1)-[Si:8](-[C:7])(-[C:9])-[C:10]	1	34209
+[c:1]-[C:2](=[O:3])-[C:4]-[c:5]>>[c:1]-[C:2](=[O:3])-[O:7]-[C:6].[C:4](-[c:5])-[C:9](=[O:8])-[O:10]	1	34214
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6])-[N:7]=[N+:9]=[N-:8]>>[C:5](-[c:6])=[O:10].[O:1]-[C:2](=[O:3])-[C:4]-[N:7]=[N+:9]=[N-:8]	1	34228
+[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1-[C:7]-[c:8]>>[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1.[C:7](-[c:8])-[O:9]	1	34230
+[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5]#[N:6]):[n:7]:[c:8]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[n:7]:[c:8]:1)-[Cl:9].[C:5]#[N:6]	1	34235
+[c:1](-[Si:2](-[C:3])(-[C:4])-[C:5]):[c:6](-[N+:7](=[O:8])-[O-:9]):[c:10]>>[c:1](-[Si:2](-[C:3])(-[C:4])-[C:5]):[c:6]:[c:10].[N+:7](-[O:8])(-[O-:9])=[O:11]	1	34244
+[c:1]-[Si:2](-[C:3])(-[C:4])-[C:5]-[I:6]>>[c:1]-[Si:2](-[C:3])(-[C:4])-[C:5]-[Cl:7].[I:6]	1	34249
+[c:1]:[c:2](-[C:3]):[c:4]>>[C:3]-[Sn:7](-[C:6])(-[C:8])-[C:9].[c:1]:[c:2](:[c:4])-[Br:5]	1	34250
+[C:1]-[c:2](:[c:3]):[c:5](:[c:4]:[n:7]):[n:6]>>[C:1]-[Sn:10](-[C:9])(-[C:11])-[C:12].[c:2](:[c:3])(:[c:5](:[c:4]:[n:7]):[n:6])-[Br:8]	1	34251
+[C:1]-[c:2]:1:[c:3](:[c:4]:[c:5]:[c:6]:[n:7]:1):[n:8]>>[C:1]-[Sn:11](-[C:10])(-[C:12])-[C:13].[c:2]:1(:[c:3](:[c:4]:[c:5]:[c:6]:[n:7]:1):[n:8])-[Br:9]	1	34252
+[c:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1>>[N+:4](=[N:5]-[Sn:8](-[C:7])(-[C:9])-[C:10])=[N-:6].[c:1]-[C:2]#[N:3]	1	34254
+[c:1]-[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Sn:9](-[C:8])(-[C:10])-[C:11].[c:1]-[C:2]-[Cl:12]	1	34255
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+[C:1]-[S:2]>>[C:1](-[S:2])#[N:3]	1	34363
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+[c:1]:1(:[n:2]:[c:3](-[c:4]):[n:5]:[n:6]:2:[c:7]:[n:8]:[c:9]:[c:10]:1:2)-[n:12]:3:[c:11]:[n:15]:[c:14]:[n:13]:3>>[C:1]-1(-[N:2]=[C:3](-[c:4])-[N:5]-[n:6]:2:[c:7]:[n:8]:[c:9]:[c:10]-1:2)=[O:16].[c:11]:1:[n:12]:[n:13]:[c:14]:[n:15]:1	1	34403
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+[C:1]-[c:2]:1:[c:3](-[C:4]):[n:5]:2:[c:6]:[c:7]:[c:8](:[c:9]:[c:11]:2:[n:12]:1):[n:10]>>[C:1]-[C:2](-[C:3](-[C:4])-[Br:14])=[O:13].[n:5]:1:[c:6]:[c:7]:[c:8](:[c:9]:[c:11]:1-[N:12]):[n:10]	1	34406
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+[c:1]-[N:5](-[C:3](-[C:2])=[O:4])-[C:6]-[c:7](:[c:8]):[o:9]>>[c:1]-[N:5]-[C:3](-[C:2])=[O:4].[C:6](-[c:7](:[c:8]):[o:9])-[Br:10]	1	34539
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+[c:1]:[c:2](-[N+:3](=[O:7])-[O-:8]):[c:4]:[c:5]:[n:6]>>[c:1]:[c:2]:[c:4]:[c:5]:[n:6].[N+:3](=[O:7])(-[O:8])-[O-:9]	1	34560
+[C:1]=[C:2]-[c:3](:[c:4]):[c:6](:[c:5]):[n:7]>>[C:1]=[C:2].[c:3](:[c:4])(:[c:6](:[c:5]):[n:7])-[Br:8]	1	34562
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+[n:1](:[c:2]:[c:3]):[c:5](:[c:4])-[O:6]>>[n:1](:[c:2]:[c:3]):[c:5](:[c:4])-[Cl:7].[O:6]	1	34616
+[C:1]-[C:2]-[N:3]-1-[C:4](=[O:5])-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2-[c:11](:[c:12]-1:[c:13]):[c:14]>>[n:3]:1:[c:4](-[O:5]):[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2:[c:11](:[c:12]:1:[c:13]):[c:14].[C:1]-[C:2]-[Cl:15]	1	34620
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+[c:1]:[c:10]:1:[n:4](:[c:3]:[c:2]):[c:5](-[C:6]#[N:7]):[c:8]:[c:9]:1>>[c:1]:[c:10]:1:[n:4](:[c:3]:[c:2]):[c:5](:[c:8]:[c:9]:1)-[Br:12].[C-:6](#[N:7])~[Cu+:11]	1	34730
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[N:6]-2-[C:7](=[O:8])-[N:9]-[c:10](:[c:11]-2):[c:13]:[n:12]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[N:6]-[c:11]:[c:10](-[N:9]):[c:13]:[n:12].[C:7](=[O:8])(-[O:18]-[C:15](-[Cl:14])(-[Cl:16])-[Cl:17])-[Cl:19]	1	34739
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+[C:1]-[C:2]=[C:3](-[C:4]=[O:5])-[N:6]>>[C:1]-[C:2]=[C:3](-[C:4])-[N:6].[O:5]=[Se:8]=[O:7]	1	34750
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+[C:1]-[N:3](-[C:2])-[C:4](=[O:5])-[Cl:6]>>[C:4](=[O:5])(-[O:11]-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10])-[O:12]-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16].[Cl:6].[C:1]-[N:3]-[C:2]	1	34764
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+[c:1]:1:[n:2]:[c:3](-[Cl:4]):[c:5]:[n:6]:[c:7]:1>>[Cl:4].[c:1]:1:[n:2]:[c:3](:[c:5]:[n:6]:[c:7]:1)-[N:8]	1	34779
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+[n:1]:[c:2](-[C:3]-[Cl:5]):[c:4]>>[Cl:5].[n:1]:[c:2](-[C:3]-[O:6]):[c:4]	1	34793
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+[N:1]-1-[C:2](=[O:3])-[C:4]-[C:5](=[O:6])-[N:7](-[c:8])-[c:9]:[c:10]-1>>[C:2](=[O:3])(-[C:4]-[C:5](=[O:6])-[Cl:11])-[Cl:12].[N:1]-[c:10]:[c:9]-[N:7]-[c:8]	1	34808
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+[C:1]-[N:2](-[C:3](=[O:4])-[Cl:6])-[C:5]>>[C:3](=[O:4])(-[O:12]-[C:9](-[Cl:8])(-[Cl:10])-[Cl:11])-[O:13]-[C:14](-[Cl:15])(-[Cl:16])-[Cl:17].[Cl:6]-[C:7]-[Cl:18].[C:1]-[N:2]-[C:5]	1	34876
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+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[c:6](:[n:7]):[c:8]>>[C:3](=[O:4])(-[O:13]-[C:10](-[Cl:9])(-[Cl:11])-[Cl:12])-[O:14]-[C:15](-[Cl:16])(-[Cl:17])-[Cl:18].[N:5]-[c:6](:[n:7]):[c:8].[c:1]-[N:2]	1	34882
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+[O:1]=[C:2](-[N:3]-[c:4])-[N:5]-[c:6]>>[O:1]=[C:2](-[O:14]-[C:11](-[Cl:10])(-[Cl:12])-[Cl:13])-[O:15]-[C:16](-[Cl:7])(-[Cl:8])-[Cl:9].[N:3]-[c:4].[N:5]-[c:6]	1	34897
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+[c:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[c:6]:[c:8]-1:[n:7]>>[C:3](=[O:4])(-[O:13]-[C:10](-[Cl:9])(-[Cl:11])-[Cl:12])-[O:14]-[C:15](-[Cl:16])(-[Cl:17])-[Cl:18].[c:1]-[N:2]-[c:8](:[c:6]-[N:5]):[n:7]	1	34907
+[C:1]-[N:2](-[C:3](=[O:4])-[O:5]-[C:6]=[O:7])-[c:8]>>[C:3](=[O:4])(-[O:13]-[C:10](-[Cl:9])(-[Cl:11])-[Cl:12])-[O:14]-[C:15](-[Cl:16])(-[Cl:17])-[Cl:18].[C:1]-[N:2]-[c:8].[O:5]-[C:6]=[O:7]	1	34908
+[C:1]-[C:2]-1(-[C:3])-[C:4]-[C:5]-[N:6](-[c:7](:[n:8]):[c:10]:[n:9])-[C:11](=[O:12])-[O:13]-1>>[C:11](=[O:12])(-[O:18]-[C:15](-[Cl:14])(-[Cl:16])-[Cl:17])-[O:19]-[C:20](-[Cl:21])(-[Cl:22])-[Cl:23].[C:1]-[C:2](-[C:3])(-[C:4]-[C:5]-[N:6]-[c:7](:[n:8]):[c:10]:[n:9])-[O:13]	1	34910
+[c:1]-[C:2]-1=[C:3](-[C:4]-2=[N:5]-[N:6]-[C:7](=[O:8])-[N:9]-2-[C:10]=[C:11]-1)-[Cl:12]>>[C:7](=[O:8])(-[O:17]-[C:14](-[Cl:13])(-[Cl:15])-[Cl:16])-[O:18]-[C:19](-[Cl:20])(-[Cl:21])-[Cl:22].[c:1]-[c:2]:1:[c:3](:[c:4](-[N:5]-[N:6]):[n:9]:[c:10]:[c:11]:1)-[Cl:12]	1	34912
+[C:1]-1-[N:2]-[C:3](=[O:4])-[N:5](-[c:6])-[C:7]-1=[O:8]>>[C:3](=[O:4])(-[O:13]-[C:10](-[Cl:9])(-[Cl:11])-[Cl:12])-[O:14]-[C:15](-[Cl:16])(-[Cl:17])-[Cl:18].[C:1](-[N:2])-[C:7](-[N:5]-[c:6])=[O:8]	1	34916
+[C:1](=[O:2])(-[O:3]-[C:4])-[Cl:5]>>[C:1](=[O:2])(-[O:11]-[C:8](-[Cl:7])(-[Cl:9])-[Cl:10])-[O:12]-[C:13](-[Cl:5])(-[Cl:6])-[Cl:14].[O:3]-[C:4]	1	34918
+[C:1](=[O:2])(-[C:3]-[N:6]-1-[C:5]-[C:4]-[N:9](-[C:7]-1=[O:8])-[O:10])-[O:11]>>[C:7](=[O:8])(-[O:16]-[C:13](-[Cl:12])(-[Cl:14])-[Cl:15])-[O:17]-[C:18](-[Cl:19])(-[Cl:20])-[Cl:21].[C:1](=[O:2])(-[C:3]-[N:6]-[C:5]-[C:4]-[N:9]-[O:10])-[O:11]	1	34919
+[O:1]=[C:2]-1-[N:3]-[c:4](:[n:5]):[c:8](:[c:7]:[n:6])-[N:9]-1>>[O:1]=[C:2](-[O:14]-[C:11](-[Cl:10])(-[Cl:12])-[Cl:13])-[O:15]-[C:16](-[Cl:17])(-[Cl:18])-[Cl:19].[N:3]-[c:4](:[n:5]):[c:8](:[c:7]:[n:6])-[N:9]	1	34920
+[C:1](-[n:2]:1:[c:3]:[c:4]:[c:5]:[c:7]:1:[c:6])-[Cl:8]>>[C:1](-[n:2]:1:[c:3]:[c:4]:[c:5]:[c:7]:1:[c:6])-[O:12].[Cl:8]-[S:10](=[O:9])-[Cl:11]	1	34923
+[N:1]#[C:2]-[C:3](-[C:4]#[N:5])(-[C:6])-[C:7]-[n:8]:1:[c:9]:[c:10]:[c:11]:[c:13]:1:[c:12]>>[C:7](-[n:8]:1:[c:9]:[c:10]:[c:11]:[c:13]:1:[c:12])-[Cl:14].[N:1]#[C:2]-[C:3](-[C:4]#[N:5])-[C:6]	1	34924
+[O:1]=[C:2]-[O:3]-[C:7](-[N:4]-[c:5])=[O:6]>>[O:1]=[C:2]-[O:3].[N:4]-[c:5].[O:6]=[C:7](-[Cl:8])-[Cl:9]	1	34938
+[O:1]=[C:2]-[N:6](-[C:5](-[N:4]-[c:3])=[O:8])-[C:7]>>[O:1]=[C:2]-[N:6]-[C:7].[c:3]-[N:4].[C:5](=[O:8])(-[Cl:9])-[Cl:10]	1	34940
+[C:1](-[N:2]=[C:3]=[O:4])-[C:5](=[O:6])-[O:7]>>[C:3](=[O:4])(-[Cl:8])-[Cl:9].[C:1](-[N:2])-[C:5](=[O:6])-[O:7]	1	34942
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]-[C:7]>>[C:4](=[O:5])(-[Cl:8])-[Cl:9].[C:1]-[N:2]-[C:3].[N:6]-[C:7]	1	34943
+[O:1]=[C:2](-[Cl:3])-[N:4](-[C:5])-[c:6]>>[O:1]=[C:2](-[Cl:3])-[Cl:7].[N:4](-[C:5])-[c:6]	1	34952
+[C:1](=[O:2])(-[N:3](-[C:4])-[C:5])-[Cl:6]>>[C:1](=[O:2])(-[Cl:6])-[Cl:7].[N:3](-[C:4])(-[C:5])-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1	1	34959
+[C:1](=[O:2])(-[N:3])-[Cl:4]>>[O:2]=[C:5](-[Cl:4])-[Cl:18].[C:1](-[N:3])(-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:17]:[c:16]:1)-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2	1	34963
+[C:1]-[N:2]-1-[C:3]-[C:4]-[N:5](-[c:6])-[C:7]-1=[O:8]>>[C:7](=[O:8])(-[Cl:9])-[Cl:10].[C:1]-[N:2]-[C:3]-[C:4]-[N:5]-[c:6]	1	34965
+[O:1]=[C:2](-[C:3](-[Cl:4])=[N:5]-[c:6])-[N:7]>>[Cl:4]-[C:9](=[O:8])-[Cl:10].[O:1]=[C:2](-[C:3](-[N:5]-[c:6])=[O:11])-[N:7]	1	34966
+[O:1]=[C:2]=[N:3]-[C:4]>>[O:1]=[C:2](-[Cl:5])-[Cl:6].[N:3]-[C:4]	1	34967
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+[C:1]-[N:2]=[C:3]=[S:4]>>[C:3](=[S:4])(-[Cl:5])-[Cl:6].[C:1]-[N:2]	1	34983
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+[C:1](=[O:2])(-[c:3])-[Cl:4]>>[Cl:4]-[C:6](-[Cl:5])-[Cl:7].[C:1](=[O:2])(-[c:3])-[O:8]	1	35006
+[C:1](=[O:2])(-[c:3]:1:[c:4](-[N:5]):[o:6]:[n:7]:[c:8]:1-[c:9])-[O:10]>>[O:6]-[N:7]=[C:8](-[c:9])-[Cl:11].[C:1](=[O:2])(-[C:3]-[C:4]#[N:5])-[O:10]	1	35024
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+[c:1]-[C:2]-[O:3]-[C:4](=[C:5]-[N:6])-[C:8](-[N:7])=[O:9]>>[O:3]-[C:4](=[C:5]-[N:6])-[C:8](-[N:7])=[O:9].[c:1]-[C:2]-[Cl:10]	1	35032
+[s:1]:[c:2](-[c:3]:1:[n:4]:[c:5](-[C:6]):[c:7]:[o:8]:1):[c:9]>>[C:5](-[C:6])(-[C:7]-[Cl:11])=[O:10].[s:1]:[c:2](-[C:3](-[N:4])=[O:8]):[c:9]	1	35037
+[c:1]:1:[n:2]:[n:3]:2:[c:4]:[c:5](-[C:6]):[n:7]:[c:8]:2:[n:9]:[c:10]:1>>[C:4](-[C:5](-[C:6])=[O:11])-[Cl:12].[c:1]:1:[n:2]:[n:3]:[c:8](-[N:7]):[n:9]:[c:10]:1	1	35039
+[O:1]=[C:2]-1-[N:3]-[C:4]=[C:5]-[c:6]:2:[n:7]:[c:8](-[C:9]):[c:10]:[n:11]-1:2>>[C:8](-[C:9])(-[C:10]-[Cl:13])=[O:12].[O:1]=[C:2]-1-[N:3]-[C:4]=[C:5]-[C:6](-[N:7])=[N:11]-1	1	35043
+[O:1]=[C:2](-[C:3]-[S:4]-[C:5](=[N:6]-[c:7])-[N:10]-[C:8]=[O:9])-[N:11]>>[O:1]=[C:2](-[C:3]-[Cl:12])-[N:11].[S:4]=[C:5](-[N:6]-[c:7])-[N:10]-[C:8]=[O:9]	1	35050
+[O:1]-[C:2](=[O:3])-[C:4]-1(-[c:5])-[C:6]-[C:7]=[C:8]-[C:9]-1>>[C:6](-[C:7]=[C:8]-[C:9]-[Cl:10])-[Cl:11].[O:1]-[C:2](=[O:3])-[C:4]-[c:5]	1	35051
+[c:1](:[c:2]-[N:3]-[C:4]-[C:5](=[O:6])-[c:7]):[n:8]>>[c:1](:[c:2]-[N:3]):[n:8].[C:4](-[Cl:10])-[Cl:11].[C:5](=[O:6])(-[c:7])-[Cl:9]	1	35058
+[c:1]:1-[N:2]-[C:3](=[O:4])-[N:5](-[N:6])-[C:7](=[O:8])-[c:9]:1>>[C:3](-[Cl:11])-[Cl:12].[c:1](-[N:2]):[c:9]-[C:7](=[O:4])-[O:8]-[C:10].[N:5]-[N:6]	1	35059
+[C:1](-[n:2](:[c:3]:[c:4]):[n:5])-[Cl:6]>>[Cl:6]-[C:8]-[Cl:7].[C:1](-[n:2](:[c:3]:[c:4]):[n:5])-[O:9]	1	35065
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+[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5](:[c:6]:[n:7]:1)-[I:9]>>[I:9]-[Cl:10].[c:1]:[c:8]:1:[n:4](:[c:3]:[c:2]):[c:5]:[c:6]:[n:7]:1	1	35167
+[c:1]:[c:2](:[c:3](:[c:4]:[n:5]):[s:6])-[I:7]>>[I:7]-[Cl:8].[c:1]:[c:2]:[c:3](:[c:4]:[n:5]):[s:6]	1	35171
+[O:1]=[S:2](=[O:3])(-[C:4])-[Cl:5]>>[Cl:5]-[P:7](-[Cl:6])(-[Cl:8])(-[Cl:9])-[Cl:10].[O:1]=[S:2](=[O:3])(-[C:4])-[O:11]	1	35174
+[c:1](:[n:2]:[c:3](-[C:4]#[N:5]):[c:6])(:[c:7])-[Cl:8]>>[c:1](:[n:2]:[c:3](-[C:4](-[N:5])=[O:13]):[c:6])(:[c:7])-[O:14].[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12]	1	35185
+[c:1]:1:[c:2](:[c:3]):[n+:4]:[c:5](-[Cl:6]):[c:7](:[c:8]:1:[n:9]):[n:10]>>[Cl:6]-[P:12](=[O:11])(-[Cl:13])-[Cl:14].[c:1]:1:[c:2](:[c:3]):[n+:4]:[c:5]:[c:7](:[c:8]:1:[n:9]):[n:10]	1	35190
+[c:1]:1:[c:2]:2:[n:3]:[c:4](:[c:5]:[c:6](-[C:7](-[F:8])(-[F:9])-[F:10]):[n:11]:2:[n:12]:[c:13]:1)-[Cl:14]>>[Cl:14]-[P:15](-[Cl:16])(-[Cl:17])=[O:19].[c:1]:1:[c:2]:2-[N:3]-[C:4](-[C:5]=[C:6](-[C:7](-[F:8])(-[F:9])-[F:10])-[n:11]:2:[n:12]:[c:13]:1)=[O:18]	1	35196
+[C:1]-[c:2]:1:[c:3](:[n:4]:2:[c:5](:[n:6]:[c:7](:[c:8]:2:[c:9]):[c:10]):[c:11](-[C:12]#[N:13]):[c:14]:1-[C:15])-[Cl:16]>>[Cl:16]-[P:18](=[O:17])(-[Cl:19])-[Cl:20].[C:1]-[C:2]=1-[C:3](-[N:4]-2-[C:5](-[N:6]-[c:7](:[c:8]-2:[c:9]):[c:10])=[C:11](-[C:12]#[N:13])-[C:14]=1-[C:15])=[O:21]	1	35230
+[O:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[Cl:6]):[c:7](:[c:8]):[c:10]:1:[c:9]>>[Cl:6]-[P:12](=[O:11])(-[Cl:13])-[Cl:14].[O:1]=[C:2]-1-[N:3]-[N:4]-[C:5](-[c:7](:[c:8]):[c:10]-1:[c:9])=[O:15]	1	35231
+[c:1]:1:[c:2]:[c:3](-[Cl:4]):[c:5]:[c:6](-[Cl:7]):[n:8]:1>>[Cl:4]-[P:10](-[Cl:7])(=[O:9])-[Cl:11].[c:1]:1:[c:2]:[c:3](:[c:5]:[c:6](:[n:8]:1)-[O:13])-[O:12]	1	35234
+[S:1]-[c:2]:1:[c:3](-[C:4]):[n:5]:2:[c:6](-[Cl:7]):[n:8]:[n:9]:[c:10]:2:[c:11]:[c:12]:1>>[Cl:7]-[P:14](=[O:13])(-[Cl:15])-[Cl:16].[S:1]-[C:2]-1=[C:3](-[C:4])-[N:5]-2-[C:6](-[N:8]-[N:9]=[C:10]-2-[C:11]=[C:12]-1)=[O:17]	1	35243
+[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5](:[c:6]:1):[n:7])-[Cl:10]>>[Cl:8]-[P:12](-[Cl:10])(=[O:11])-[Cl:13].[c:1]:1:[c:2]:[n:3]:[c:4](:[c:5](:[c:6]:1):[n:7])-[O:9]	1	35245
+[c:1]:1:[c:2](-[Cl:3]):[c:4]:[c:5]:[n:6]:[c:7]:1:[s:8]>>[Cl:3]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[c:1]:1:[c:2](:[c:4]:[c:5]:[n:6]:[c:7]:1:[s:8])-[O:13]	1	35275
+[c:1]:1:[n+:2]:[c:3]:[c:4]:[c:5](-[Cl:6]):[c:7]:1>>[Cl:6]-[P:14](-[Cl:8])(-[Cl:9])=[O:13].[c:1]:1:[n+:2]:[c:3]:[c:4]:[c:5](:[c:7]:1)-[N+:11](=[O:10])-[O-:12]	1	35276
+[c:1]:1(:[c:2](:[s:3]):[c:4]:[n:5]:[c:6]:[c:7]:1)-[Cl:8]>>[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[c:1]:1(:[c:2](:[s:3]):[c:4]:[n:5]:[c:6]:[c:7]:1)-[O:13]	1	35280
+[c:1]:1(:[n:2]:[c:3](:[c:4](:[c:5]:2:[n:6]:[c:7]:[n:8]:[n:9]:1:2):[c:10]):[c:11])-[Cl:12]>>[Cl:12]-[P:14](=[O:13])(-[Cl:15])-[Cl:16].[C:1]-1(-[N:2]-[c:3](:[c:4](-[c:5]:2:[n:6]:[c:7]:[n:8]:[n:9]-1:2):[c:10]):[c:11])=[O:17]	1	35325
+[C:1](-[C:2](=[O:3])-[O:4])-[c:5]:1:[c:6](:[n:7]:2:[n:8]:[c:9](:[c:10]):[c:11]:[c:12]:2:[n:13]:[c:14]:1-[C:15])-[Cl:16]>>[Cl:16]-[P:18](=[O:17])(-[Cl:19])-[Cl:20].[C:1](-[C:2](=[O:3])-[O:4])-[C:5]-1-[C:6](-[n:7]:2:[n:8]:[c:9](:[c:10]):[c:11]:[c:12]:2-[N:13]=[C:14]-1-[C:15])=[O:21]	1	35360
+[c:1]:1:[n:2]:[n:3]:[c:4]:2:[c:5](-[Cl:6]):[n:7]:[c:8](:[c:9]):[c:11](:[c:10]):[n:12]:1:2>>[Cl:6]-[P:14](=[O:13])(-[Cl:15])-[Cl:16].[c:1]:1:[n:2]:[n:3]:[c:4]:2-[C:5](-[N:7]-[c:8](:[c:9]):[c:11](:[c:10])-[n:12]:1:2)=[O:17]	1	35362
+[C:1]-[C:2]-[Cl:3]>>[Cl:3]-[P:5](=[O:4])(-[Cl:6])-[Cl:7].[C:1]-[C:2]-[O:8]	1	35374
+[c:1]:1(:[n+:2]:[c:3]:[c:4]:[c:5]:2:[n:6]:[n:7]:[c:8]:[c:9]:1:2)-[Cl:10]>>[Cl:10]-[P:12](=[O:11])(-[Cl:13])-[Cl:14].[c:1]:1:[n+:2]:[c:3]:[c:4]:[c:5]:2:[n:6]:[n:7]:[c:8]:[c:9]:1:2	1	35375
+[C:1]-[c:2]:1:[c:3](:[c:4](:[c:5]):[c:7](:[c:6]):[n:8]:[c:9]:1-[c:10])-[Cl:11]>>[Cl:11]-[P:13](=[O:12])(-[Cl:14])-[Cl:15].[C:3](-[c:4](:[c:5]):[c:7](:[c:6])-[N:8])(=[O:17])-[O:18].[C:1]-[C:2]-[C:9](-[c:10])=[O:16]	1	35376
+[c:1]:1(:[c:2]:[c:3]:[n:4]:[c:5]:2:[c:6]:[c:7]:[n:8]:[n:9]:1:2)-[Cl:10]>>[Cl:10]-[P:12](=[O:11])(-[Cl:13])-[Cl:14].[C:1]-1(-[C:2]=[C:3]-[N:4]-[c:5]:2:[c:6]:[c:7]:[n:8]:[n:9]-1:2)=[O:15]	1	35388
+[C:1](-[c:2](:[c:3]:[o:4]):[n+:5])-[Cl:6]>>[Cl:6]-[P:8](=[O:7])(-[Cl:9])-[Cl:10].[C:1]-[c:2](:[c:3]:[o:4]):[n+:5]	1	35432
+[N:1]-1-[C:2](=[O:3])-[c:4]:[c:6](:[n:5])-[N:7]=[C:8]-1-[Cl:9]>>[Cl:9]-[P:11](=[O:10])(-[Cl:12])-[Cl:13].[N:1]-1-[C:2](=[O:3])-[c:4]:[c:6](:[n:5])-[N:7]-[C:8]-1=[O:14]	1	35442
+[C:1]=1-[C:2](=[N:3]-[N:4]-[C:5](-[C:6]=1)=[O:7])-[Cl:8]>>[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[C:1]=1-[C:2](-[N:3]-[N:4]-[C:5](-[C:6]=1)=[O:7])=[O:13]	1	35451
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2:[c:9](:[c:10]:1)-[Cl:11]>>[Cl:11]-[P:13](=[O:12])(-[Cl:14])-[Cl:15].[c:1]-[C:2]=1-[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:10]=1)=[O:16]	1	35452
+[c:1]:1(:[n:2]:[c:3](:[c:4]:[c:6]:[c:8]:1:[n:7]):[c:5])-[Cl:9]>>[Cl:9]-[P:11](=[O:10])(-[Cl:12])-[Cl:13].[c:1]:1(:[n:2]:[c:3](:[c:4]:[c:6]:[c:8]:1:[n:7]):[c:5])-[O:14]	1	35462
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[c:6]:[c:8](:[n:7])-[N:9]-[C:10]-1=[O:11])-[Cl:12]>>[Cl:12]-[P:14](=[O:13])(-[Cl:15])-[Cl:16].[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[c:6]:[c:8](:[n:7])-[N:9]-[C:10]-1=[O:11])-[O:17]	1	35470
+[c:1]:1(:[c:2](:[n:3]):[c:5](:[n:4]):[n:6]:[c:7]:[n:8]:1)-[Cl:9]>>[Cl:9]-[P:11](=[O:10])(-[Cl:12])-[Cl:13].[c:1]:1(:[c:2](:[n:3]):[c:5](:[n:4]):[n:6]:[c:7]:[n:8]:1)-[O:14]	1	35489
+[S:1](=[O:2])(=[O:3])(-[C:4])-[Cl:5]>>[Cl:5]-[P:7](=[O:6])(-[Cl:8])-[Cl:9].[S:1](=[O:2])(=[O:3])(-[C:4])-[O:10]	1	35492
+[c:1]:[c:2](-[C:3]-[Cl:4]):[n:5]>>[Cl:4]-[P:7](=[O:6])(-[Cl:8])-[Cl:9].[c:1]:[c:2](-[C:3]-[O:10]):[n:5]	1	35504
+[C:1]-1(=[N:2]-[C:3]=[C:4]-[C:5](=[O:6])-[N:7]-1)-[Cl:8]>>[Cl:8]-[P:10](=[O:9])(-[Cl:11])-[Cl:12].[C:1]-1(-[N:2]-[C:3]=[C:4]-[C:5](=[O:6])-[N:7]-1)=[S:13]	1	35512
+[c:1]:1(:[n:2]:[c:3](-[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2):[c:9]:[c:10]:3:[n:11]:[c:12]:[c:13]:[n:14]:1:3)-[Cl:15]>>[Cl:15]-[P:17](=[O:16])(-[Cl:18])-[Cl:19].[C:1]-1(-[N:2]-[C:3](-[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2)=[C:9]-[c:10]:3:[n:11]:[c:12]:[c:13]:[n:14]-1:3)=[O:20]	1	35515
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2:[c:9](-[Cl:10]):[c:11]:1>>[Cl:10]-[P:13](=[O:12])(-[Cl:14])-[Cl:15].[C:1]-[C:2]=1-[N:3]-[c:4]:2:[c:5]:[c:6]:[n:7]:[n:8]:2-[C:9](-[C:11]=1)=[O:16]	1	35516
+[C:1](-[c:2])-[Cl:3]>>[Cl:3]-[P:5](=[O:4])(-[Cl:6])-[Cl:7].[C:1](-[c:2])-[O:8]	1	35521
+[c:1](:[n:2]:[c:3])(:[n:5]:[c:4])-[Cl:6]>>[Cl:6]-[P:8](=[O:7])(-[Cl:9])-[Cl:10].[c:1](:[n:2]:[c:3])(:[n:5]:[c:4])-[O:11]	1	35525
+[c:1]:1(:[n:2]:[c:3]:[c:4]:[n:5]:[n:6]:1)-[Cl:7]>>[Cl:7]-[P:9](=[O:8])(-[Cl:10])-[Cl:11].[c:1]:1(:[n:2]:[c:3]:[c:4]:[n:5]:[n:6]:1)-[O:12]	1	35536
+[N:1]-[C:5](=[C:3](-[C:2])-[O:4])-[C:6]-[Cl:7]>>[Cl:7]-[S:9](=[O:8])-[Cl:10].[N:1]-[C:5](=[C:3](-[C:2])-[O:4])-[C:6]-[O:11]	1	35551
+[N:1]-[C:2](-[N:3])=[N:4]-[c:5].[c:6]-[C:7]-[Cl:8]>>[Cl:8]-[S:10](=[O:9])-[Cl:11].[N:1]=[C:2](-[N:3])-[N:4]-[c:5].[c:6]-[C:7]-[O:12]	1	35556
+[c:1]:[c:8]:1:[c:3](:[c:2]):[c:4](:[n:5](-[c:6]):[n:7]:1)-[Cl:9]>>[Cl:9]-[S:11](=[O:10])-[Cl:12].[c:1]:[c:8](:[c:3](:[c:2])-[C:4](-[N:5]-[c:6])=[O:15])-[N:7]=[N+:14]=[N-:13]	1	35565
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[Cl:6]):[s:7]>>[Cl:6]-[S:9](=[O:8])-[Cl:10].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:11]):[s:7]	1	35568
+[c:1]:1:[n:2]:[c:3]:2:[n:4]:[s:5]:[n:6]:[c:7]:2:[c:8]:[c:9]:1>>[S:5](=[O:10])(-[Cl:11])-[Cl:12].[c:1]:1:[n:2]:[c:3](-[N:4]):[c:7](-[N:6]):[c:8]:[c:9]:1	1	35596
+[c:1]:[c:2]:1:[n:3]:[s:4]:[n:5]:[c:6]:1:[c:7]>>[S:4](=[O:8])(-[Cl:9])-[Cl:10].[c:1]:[c:2](-[N:3]):[c:6](-[N:5]):[c:7]	1	35597
+[C:1](-[c:2](:[c:3]:[n:4]):[s:5])-[Cl:6]>>[Cl:6]-[S:8](=[O:7])-[Cl:9].[C:1](-[c:2](:[c:3]:[n:4]):[s:5])-[O:10]	1	35619
+[S:1](=[O:2])(=[O:3])(-[c:4]:1:[c:5]:[c:6]:[c:7](-[C:8]):[c:9]:[c:10]:1)-[Cl:11]>>[Cl:11]-[S:13](=[O:12])-[Cl:14].[S:1](=[O:2])(=[O:3])(-[c:4]:1:[c:5]:[c:6]:[c:7](-[C:8]):[c:9]:[c:10]:1)-[O:15]	1	35631
+[O:1]=[S:2](=[O:3])(-[c:4](:[c:5]):[c:6])-[Cl:7]>>[S:2](=[O:3])(-[Cl:7])-[Cl:8].[O:1]=[N:11]-[O:10].[c:4](:[c:5])(:[c:6])-[N:9]	1	35636
+[c:1]-[C:2](-[Cl:3])(-[C:4](=[O:5])-[N:6])-[c:7]>>[Cl:3]-[S:9](=[O:8])-[Cl:10].[c:1]-[C:2](-[C:4](=[O:5])-[N:6])(-[c:7])-[O:11]	1	35704
+[n:1]:[c:7]:[c:3](:[n:2])-[C:4](=[O:5])-[Cl:6]>>[Cl:6]-[S:9](=[O:8])-[Cl:10].[n:1]:[c:7]:[c:3](:[n:2])-[C:4](=[O:5])-[O:11]	1	35729
+[C:1](-[c:2](:[c:3]:[s:4]):[n:5])-[Cl:6]>>[Cl:6]-[S:8](=[O:7])-[Cl:9].[C:1](-[c:2](:[c:3]:[s:4]):[n:5])-[O:10]	1	35733
+[C:1]-[C:2]=[C:3](-[C:4]-[Cl:6])-[C:5]>>[Cl:6]-[S:8](=[O:7])-[Cl:9].[C:1]-[C:2]=[C:3](-[C:4]-[O:10])-[C:5]	1	35734
+[S:1](=[O:2])(=[O:3])(-[c:4]:1:[c:5]:[c:6]:[c:7](-[c:8]):[c:9]:[c:10]:1)-[Cl:11]>>[Cl:11]-[S:13](=[O:12])-[Cl:14].[S:1](=[O:2])(=[O:3])(-[c:4]:1:[c:5]:[c:6]:[c:7](-[c:8]):[c:9]:[c:10]:1)-[O:15]	1	35744
+[C:1]=[C:2](-[C:3])-[C:4]-[Cl:5]>>[Cl:5]-[S:7](=[O:6])-[Cl:8].[C:1]=[C:2](-[C:3])-[C:4]-[O:9]	1	35767
+[C:1](-[C:2]=[C:3])-[Cl:4]>>[Cl:4]-[S:6](=[O:5])-[Cl:7].[C:1](-[C:2]=[C:3])-[O:8]	1	35768
+[N:1]-[C:2]=[C:3](-[C:4]-[Cl:7])-[C:5]=[C:6]>>[Cl:7]-[S:9](=[O:8])-[Cl:10].[N:1]-[C:2]=[C:3](-[C:4]-[O:11])-[C:5]=[C:6]	1	35776
+[N:1]-[C:3](=[C:2])-[C:4]-[Cl:5]>>[Cl:5]-[S:7](=[O:6])-[Cl:8].[N:1]-[C:3](=[C:2])-[C:4]-[O:9]	1	35830
+[C:1]-[C:2]=[C:3](-[C:4](=[O:5])-[Cl:7])-[O:6]>>[Cl:7]-[S:8](-[Cl:9])=[O:11].[C:1]-[C:2]=[C:3](-[C:4](=[O:5])-[O:10])-[O:6]	1	35838
+[c:1]:1:[c:2]:[n:3]:[c:4](:[s:5]:1)-[Cl:6]>>[Cl:6]-[Cu:8]-[Cl:7].[c:1]:1:[c:2]:[n:3]:[c:4](:[s:5]:1)-[N:9]	1	35854
+[S:1](-[C:2]-[c:3])-[c:4]:1:[n:5]:[c:6]:2:[c:7](:[c:8]:[c:9]:[n:10]:[c:11]:2):[n:12]:1>>[C:2](-[c:3])-[Cl:13].[S:1]=[C:4]-1-[N:5]-[c:6]:2:[c:7](:[c:8]:[c:9]:[n:10]:[c:11]:2)-[N:12]-1	1	35878
+[c:1]-[C:2]-[N:3]-1-[C:4]=[C:5](-[N+:6])-[C:7]=[C:8](-[Cl:9])-[C:10]-1=[O:11]>>[n:3]:1:[c:4]:[c:5](-[N+:6]):[c:7]:[c:8](-[Cl:9]):[c:10]:1-[O:11].[c:1]-[C:2]-[Br:12]	1	35893
+[C:1]-[C:2](-[O:3]-[c:4])-[c:5]>>[O:3]-[c:4].[C:1]-[C:2](-[c:5])-[Br:6]	1	35909
+[c:1]:[c:2](-[C:3]-1-[C:4]-[C:5]-1):[c:6]:[n:7]>>[c:1]:[c:2](:[c:6]:[n:7])-[I:8].[C:3]-1(-[C:4]-[C:5]-1)-[B:10](-[O:9])-[O:11]	1	35921
+[N:1]-[N:2]-[C:3](=[S:4])-[N:5]-[C:6]>>[N:1]-[N:2].[C:3](=[S:4])=[N:5]-[C:6]	1	35937
+[N:1]#[C:2]-[C:3]-[c:4]:1:[c:5]:[o:6]:[c:7](:[c:8]:1:[c:9]):[c:10]>>[C:4]-1(-[C:5]-[O:6]-[c:7](:[c:8]-1:[c:9]):[c:10])=[O:17].[N:1]#[C:2]-[C:3]-[P:12](-[O:11]-[C:19]-[C:18])(=[O:13])-[O:14]-[C:15]-[C:16]	1	35940
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](-[O:6]-[c:7]):[c:8]:[c:9]:[n:10]:[c:11]:1:2>>[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](:[c:8]:[c:9]:[n:10]:[c:11]:1:2)-[Cl:12].[O:6]-[c:7]	1	35946
+[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[c:6])-[N+:7](-[C:8](=[C:9]=[N-:10])-[C:11](-[Cl:12])=[C:13]-1)=[O:15]>>[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[c:6]):[n+:7](:[c:8]:[c:11](-[Cl:12]):[c:13]:1)-[O-:15].[C:9](#[N:10])-[C:14]	1	35954
+[O:1]=[C:2]-1-[C:3]-[N:4](-[C:5](=[O:6])-[c:7](:[n:8]):[c:9])-[C:10]-[N:11]-1>>[O:1]=[C:2]-1-[C:3]-[N:4](-[C:10]-[N:11]-1)-[C:13](=[O:12])-[c:14]:2:[c:15]:[c:16](-[c:17]:3:[c:18]:[c:19](-[F:20]):[c:21]:[c:22](-[Cl:23]):[c:24]:3):[n:25](-[c:26]:4:[c:27]:[c:28]:[c:29]:[c:30]:[n:31]:4):[n:32]:2.[C:5](=[O:6])(-[c:7](:[n:8]):[c:9])-[O:33]	1	35955
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+[O-:1]-[n+:2](:[c:3]:[c:4]:[s:5]):[c:7]:[c:6]>>[O:1]-[O:10]-[C:9](=[O:8])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15](-[Cl:16]):[c:17]:1.[n:2](:[c:3]:[c:4]:[s:5]):[c:7]:[c:6]	1	36596
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+[C:1](=[O:2])-[C:3]-[S:4](=[O:5])(=[O:6])-[C:7]>>[O:5]-[O:10]-[C:9](=[O:8])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15](-[Cl:16]):[c:17]:1.[C:1](=[O:2])-[C:3]-[S:4](=[O:6])-[C:7]	1	36654
+[C:1](=[O:2])-[C:3]-[S:4](=[O:5])-[C:6]>>[O:5]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1.[C:1](=[O:2])-[C:3]-[S:4]-[C:6]	1	36658
+[c:1]-[S:2](=[O:3])-[c:4](:[n:5]):[n:6]>>[O:3]-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14](-[Cl:15]):[c:16]:1.[c:1]-[S:2]-[c:4](:[n:5]):[n:6]	1	36663
+[C:1]-[S:2](=[O:3])(=[O:4])-[C:5]>>[O:3]-[O:8]-[C:7](=[O:6])-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13](-[Cl:14]):[c:15]:1.[C:1]-[S:2](=[O:4])-[C:5]	1	36683
+[n:1]:[c:2]:[c:3]-[S:4](-[C:5])=[O:6]>>[O:6]-[O:13]-[C:12](=[O:11])-[c:14]:1:[c:10]:[c:8](:[c:7]:[c:16]:[c:15]:1)-[Cl:9].[n:1]:[c:2]:[c:3]-[S:4]-[C:5]	1	36709
+[n:1]:[c:2]:[c:3]:[n+:4](-[O-:5]):[c:6]:[c:7]>>[O:5]-[O:10]-[C:9](=[O:8])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15](-[Cl:16]):[c:17]:1.[n:1]:[c:2]:[c:3]:[n:4]:[c:6]:[c:7]	1	36711
+[C:1]-[C:2]-1=[C:3]-[C:4]=[C:5](-[C:6])-[N+:7](-[C:8]-1=[C:9]=[N-:10])=[O:11]>>[O:11]-[O:17]-[C:16](=[O:15])-[c:18]:1:[c:14]:[c:12](-[Cl:13]):[c:21]:[c:20]:[c:19]:1.[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6]):[n:7]:[c:8]:1-[C:9]#[N:10]	1	36715
+[n:1]:[c:2]:[c:3]-[C:4](-[O:5])-[c:6]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[c:6]	1	36723
+[c:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[o:7]:1>>[C:4](-[c:5])(-[C:6]-[Br:9])=[O:8].[c:1]-[C:2](-[N:3])=[O:7]	1	36724
+[C:1]-1-[S:2]-[C:3](=[N:4]-[C:5])-[N:6]-[C:7]-1=[O:8]>>[N:4]-[C:5].[C:1]-1-[S:2]-[C:3](-[N:6]-[C:7]-1=[O:8])=[S:9]	1	36733
+[N:1](=[C:2](-[C:3](=[O:4])-[O:5])-[C:6](-[C:7])=[O:8])-[O:9]>>[C:2](-[C:3](=[O:4])-[O:5])-[C:6](-[C:7])=[O:8].[N:1](-[O:9])=[O:10]	1	36743
+[N:1]-1-[C:2]-[C:3]-[N:4]-2-[C:5](-[C:6])=[N:7]-[C:8](=[O:9])-[C:10](-[O:11])=[C:12]-2-[C:13]-1=[O:14]>>[N:1](-[C:2]-[C:3]-[O:15])-[C:13](-[c:12]:1:[n:4]:[c:5](-[C:6]):[n:7]:[c:8](-[O:9]):[c:10]:1-[O:11])=[O:14]	1	36775
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[N:6]-[c:7]):[o:8]:1>>[C:5](=[N:6]-[c:7])=[S:9].[c:1]-[C:2](-[N:3]-[N:4])=[O:8]	1	36796
+[c:1]:[c:2](-[C:3](-[c:4]:[c:5]:[s:6])-[O:8]):[c:7]>>[c:1]:[c:2](:[c:7])-[Mg:10]-[Br:9].[C:3](-[c:4]:[c:5]:[s:6])=[O:8]	1	36801
+[n:1]:[c:4](:[c:3]:[n:2])-[C:5](-[O:6])(-[c:7]:[c:9]:[n:8])-[c:10](:[c:11]):[c:12]>>[c:10](:[c:11])(:[c:12])-[Br:13].[n:1]:[c:4](:[c:3]:[n:2])-[C:5](=[O:6])-[c:7]:[c:9]:[n:8]	1	36805
+[O:1]=[C:2]-1-[c:3]:2:[c:4](-[C:5]=[C:6]-[N:7]-1-[c:8](:[c:9]):[c:10]):[o:11]:[c:12]:[c:13]:2>>[O:1]-[c:2]:1:[c:3]:2:[c:4](:[c:5]:[c:6]:[n:7]:1):[o:11]:[c:12]:[c:13]:2.[c:8](:[c:9])(:[c:10])-[F:14]	1	36808
+[c:1]-[C:2]=[C:3]-[C:4]>>[c:1]-[C:2]=[O:22].[C:3](-[C:4])-[P+:7](-[c:6]:1:[c:5]:[c:24]:[c:23]:[c:21]:[c:20]:1)(-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3	1	36809
+[c:1]:[c:2](-[N:3]-[c:4](:[n:5]):[s:6]):[c:7]>>[N:3]-[c:4](:[n:5]):[s:6].[c:1]:[c:2](:[c:7])-[F:8]	1	36812
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[n:7]:1-[C:8]>>[C:1]-[C:2](-[N:7]-[C:8])=[O:9].[N:3]-[N:4]-[C:5](-[c:6])=[O:10]	1	36815
+[C:1]-[O:2]-[c:3]:1:[n:4]:[n:5]:[c:6]:[n:7]:1>>[C:1]-[O:2].[c:3]:1(:[n:4]:[n:5]:[c:6]:[n:7]:1)-[S:9](-[C:8])(=[O:10])=[O:11]	1	36819
+[c:1]:[c:2](-[N:3]):[c:6](-[C:4](-[c:5])=[O:8]):[c:7]>>[c:1]:[c:2]:1:[n:3]:[o:8]:[c:4](-[c:5]):[c:6]:1:[c:7]	1	36824
+[c:1]-[C:2]-1=[C:3](-[O:4])-[C:5](=[O:6])-[N:7](-[c:8](:[c:9]):[c:10])-[N:11]=[C:12]-1>>[c:8](:[c:9])(:[c:10])-[Br:13].[c:1]-[c:2]:1:[c:3](-[O:4]):[c:5](-[O:6]):[n:7]:[n:11]:[c:12]:1	1	36826
+[O:1]=[C:2]-[c:3]:1:[c:4](-[c:5]):[o:6]:[n:7]:[c:8]:1-[c:9]>>[O:1]=[C:2]-[C:3]#[C:4]-[c:5].[O:6]-[N:7]=[C:8](-[c:9])-[Cl:10]	1	36828
+[c:1]:[c:2](-[N:3]-[C:4]=[O:5]):[c:6]>>[N:3]-[C:4]=[O:5].[c:1]:[c:2](:[c:6])-[Br:7]	1	36830
+[n:1]:1:[n:2]:[c:3](-[c:4]):[c:5]:2:[c:6](:[c:7]:[c:8]:[c:9]:[n:10]:2):[c:11]:1-[O:12]>>[C:3](-[c:4])(-[c:5]:1:[c:6](:[c:7]:[c:8]:[c:9]:[n:10]:1)-[C:11](=[O:12])-[O:14]-[C:13])=[O:15].[N:1]-[N:2]	1	36831
+[C:1]-1-[C:2]-[O:3]-1>>[C:1](-[C:2]-[O:4])-[O:3]	1	36835
+[c:1]-[C:2]-[c:3]:[c:4]:[s:5]>>[c:1]-[C:2](-[c:3]:[c:4]:[s:5])-[O:6]	1	36838
+[C:1](-[C:2]-[c:3](:[n:4]):[c:5])(-[c:6])-[O:7]>>[C:1](-[c:6])=[O:7].[C:2]-[c:3](:[n:4]):[c:5]	1	36847
+[c:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[c:8]):[o:9]:1>>[c:1]-[C:2]-[Cl:10].[S:3]=[C:4]-1-[N:5]-[N:6]=[C:7](-[c:8])-[O:9]-1	1	36853
+[N:1]-[C:2]-[C:3]-[C:4]=[C:5]>>[N:1]#[C:2]-[C:3]-[C:4]=[C:5]	1	36854
+[N:1]#[C:2]-[C:3]-[C:4]=[C:5]>>[N:1]-[C:2](-[C:3]-[C:4]=[C:5])=[O:6]	1	36855
+[c:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[c:6]):[c:7]>>[S:3](=[O:4])(-[O:5])-[c:6].[c:1]:[c:2](:[c:7])-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15]	1	36863
+[N:1](=[C:2]-[c:3](:[c:4]):[s:5])-[O:6]>>[C:2](-[c:3](:[c:4]):[s:5])=[O:7].[N:1]-[O:6]	1	36882
+[C:1](-[C:2])(-[c:3](:[n:4]):[c:5])=[O:6]>>[C:1](-[c:3](:[n:4]):[c:5])#[N:9].[C:2]-[Mg:8]-[Br:7].[O:6]	1	36905
+[c:1]:[c:2]:[n+:3](:[c:4]:[c:5])-[O-:6]>>[c:1]:[c:2]:[n:3]:[c:4]:[c:5].[O:6]-[O:10]-[C:8](-[C:7])=[O:9]	1	36915
+[c:1]:[c:2](-[O:3]-[c:4]:[c:6]:[n:5]):[c:7]:[n:8]>>[c:1]:[c:2](:[c:7]:[n:8])-[Cl:9].[O:3]-[c:4]:[c:6]:[n:5]	1	36918
+[c:1]:[c:2](-[O:3]-[c:4]):[c:5]:[n:6]>>[c:1]:[c:2](:[c:5]:[n:6])-[Cl:7].[O:3]-[c:4]	1	36919
+[O:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[c:6]:[c:7]:[n:8]:1>>[O:1]=[C:2]-1-[C:3]-[C:4](-[O:5])=[C:6]-[C:7]=[N+:8]-1-[O-:9]	1	36926
+[c:1]:[c:2](-[c:3]:1:[c:4](-[c:5]):[n:6](:[c:7]:[c:8]):[c:10](:[c:9]):[n:11]:1):[n:12]>>[n:6](:[c:7]:[c:8]):[c:10](:[c:9])-[N:11].[c:1]:[c:2](-[C:3](-[C:4]-[c:5])=[O:13]):[n:12]	1	36932
+[c:1](-[C:2](=[O:3])-[N:4]-[c:5]):[c:6]:[n:7]>>[N:4]-[c:5].[c:1](-[C:2](=[O:3])-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11](-[N+:9](=[O:8])-[O-:10]):[c:17]:[c:16]:1):[c:6]:[n:7]	1	36950
+[O:1]=[C:2](-[N:3]-[c:4])-[c:5]>>[N:3]-[c:4].[O:1]=[C:2](-[c:5])-[O:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[N+:7](=[O:6])-[O-:8]):[c:15]:[c:14]:1	1	36951
+[C:1]-1(=[C:2](-[C:3]=[N:4]-[N:5](-[C:6]-[c:7])-[C:8]-1=[O:9])-[Cl:10])-[Cl:11]>>[c:1]:1(:[c:2](:[c:3]:[n:4]:[n:5]:[c:8]:1-[O:9])-[Cl:10])-[Cl:11].[C:6](-[c:7])-[Br:12]	1	36959
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:1>>[c:1]:1:[n:2]:[c:3](:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:1)-[Cl:10]	1	36962
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[C:6]):[n:7]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:7]:1)-[Cl:10].[C:6]-[Mg:9]-[Br:8]	1	36984
+[C:1]-[N:2](-[c:3](:[n:4]):[c:5])-[c:6]:1:[n:7]:[c:8]:[n:9]:[c:10]:[c:11]:1>>[C:1]-[N:2]-[c:3](:[n:4]):[c:5].[c:6]:1(:[n:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Cl:12]	1	36994
+[C:1]-[C:2](-[S:3]-[c:4](:[n:5]):[n:6])-[c:7](:[c:8]):[n:9]>>[S:3]-[c:4](:[n:5]):[n:6].[C:1]-[C:2](-[c:7](:[c:8]):[n:9])-[Cl:10]	1	36995
+[c:1]:1:[n:2]:[c:3](-[n:4]:2:[c:5](:[c:6]):[c:7]:[c:8]:[c:9]:2:[c:10]):[n:11]:[c:12]:[c:13]:1>>[c:1]:1:[n:2]:[c:3](:[n:11]:[c:12]:[c:13]:1)-[Cl:14].[n:4]:1:[c:5](:[c:6]):[c:7]:[c:8]:[c:9]:1:[c:10]	1	37009
+[C:1]-1-[C:2](=[O:3])-[N:4](-[C:5])-[c:6]:2:[c:7]-1:[c:8]:[n:9]:[c:10]:[n:11]:2>>[C:1](-[C:2](=[O:3])-[O:14]-[C:13]-[C:12])-[c:7]:1:[c:6](:[n:11]:[c:10]:[n:9]:[c:8]:1)-[Cl:15].[N:4]-[C:5]	1	37015
+[c:1]:[n:2]:[c:3](:[n:4]:[c:5])-[S:7]-[C:6]>>[c:1]:[n:2]:[c:3](:[n:4]:[c:5])-[Cl:8].[C:6]-[S:7]	1	37020
+[C:1]-[C:2](-[C:3])(-[O:4])-[c:5](:[n:6]):[c:7]>>[C:1]-[C:2](=[O:4])-[c:5](:[n:6]):[c:7].[C:3]-[Mg:9]-[Br:8]	1	37032
+[O:1]=[C:2]-1-[C:3](-[F:4])=[C:5]-[N:6]=[C:7](-[Cl:8])-[N:9]-1-[C:10]-[c:11]>>[O:1]-[c:2]:1:[c:3](-[F:4]):[c:5]:[n:6]:[c:7](-[Cl:8]):[n:9]:1.[C:10](-[c:11])-[Br:12]	1	37033
+[n:1]:[c:2]:[c:5](:[c:4]:[s:3])-[C:6](=[O:7])-[N:8]-[c:9](:[n:10]):[c:11]>>[n:1]:[c:2]:[c:5](:[c:4]:[s:3])-[C:6](=[O:7])-[O:12].[N:8]-[c:9](:[n:10]):[c:11]	1	37039
+[O:1]=[C:2](-[c:3])-[C:4]-[c:5]>>[C:4]-[c:5].[O:1]=[C:2](-[c:3])-[N:9](-[C:6])-[O:8]-[C:7]	1	37057
+[n:1](:[c:2]:[c:3]):[c:5](:[c:4])-[C:6]-[c:7]>>[n:1](:[c:2]:[c:3]):[c:5](:[c:4])-[Cl:8].[C:6](-[c:7])-[Zn+:9]	1	37067
+[n:1]:[c:2]:1:[c:3](-[N:4]-[C:5](-[C:6])=[O:7]):[n:8]:[c:9]:[c:10]:[c:11]:1>>[n:1]:[c:2]:1:[c:3](:[n:8]:[c:9]:[c:10]:[c:11]:1)-[Cl:12].[N:4]-[C:5](-[C:6])=[O:7]	1	37076
+[C:1](-[C:2](-[c:3])-[c:4](:[n:5]:[c:6]:[c:7]):[c:8])#[N:9]>>[c:4](:[n:5]:[c:6]:[c:7])(:[c:8])-[Cl:10].[C:1](-[C:2]-[c:3])#[N:9]	1	37077
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[C:6]=[C:7]>>[C:1]-[N:2]-[C:3].[C:4](-[O:5])(-[C:6]=[C:7])=[O:8]	1	37090
+[n:1]:1:[c:2]:[c:3](-[S:4](=[O:5])(=[O:6])-[Cl:9]):[c:7]:[n:8]:1>>[n:1]:1:[c:2]:[c:3]:[c:7]:[n:8]:1.[S:4](=[O:5])(=[O:6])(-[Cl:9])-[O:10]	1	37093
+[c:1]:1:[n:2]:[c:3]:[c:4](-[F:5]):[n:6]:[c:7]:1>>[F:5].[c:1]:1:[n:2]:[c:3]:[c:4](:[n:6]:[c:7]:1)-[N:8]	1	37096
+[C:1]-[C:2](-[C:3])-[F:4]>>[F:4].[C:1]-[C:2](-[C:3])-[O:5]	1	37099
+[c:1]:[c:2](:[c:3])-[F:4]>>[F:4].[c:1]:[c:2](:[c:3])-[N:5]	1	37101
+[c:1]:[c:2](-[F:3]):[c:4]>>[F:3].[c:1]:[c:2](:[c:4])-[Cl:5]	1	37102
+[C:1]-[C:2]-[F:3]>>[F:3].[C:1]-[C:2]-[O:7]-[S:4](=[O:5])(=[O:6])-[c:14]:1:[c:8]:[c:9]:[c:11](-[C:10]):[c:12]:[c:13]:1	1	37107
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[F:6]):[c:7]:1>>[F:6].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:7]:1)-[N+:9](=[O:8])-[O-:10]	1	37108
+[C:1]-[C:2]-[F:3]>>[F:3].[C:1]-[C:2]-[O:4]	1	37109
+[O:1]=[S:2](=[O:3])(-[F:4])-[C:5]>>[F:4].[O:1]=[S:2](=[O:3])(-[C:5])-[Cl:6]	1	37111
+[O:1]-[C:2](=[O:3])-[C:4](-[F:5])(-[F:6])-[C:7](-[O:8])-[C:9]>>[O:1]-[C:2](=[O:3])-[C:4](-[F:5])(-[F:6])-[Br:10].[C:7](=[O:8])-[C:9]	1	37115
+[F:1]-[C:2](-[F:3])-[O:4]-[c:5](:[n:6]):[c:7]>>[F:1]-[C:2](-[F:3])(-[C:9](=[O:8])-[O:10])-[Cl:11].[O:4]-[c:5](:[n:6]):[c:7]	1	37118
+[n:1]:[c:2]:[c:3]-[O:4]-[C:5](-[F:6])-[F:7]>>[C:5](-[F:6])(-[F:7])(-[C:9](=[O:8])-[O:10])-[Cl:11].[n:1]:[c:2]:[c:3]-[O:4]	1	37126
+[C:1]-[O:2]-[C:3](-[F:4])-[F:5]>>[C:3](-[F:4])(-[F:5])(-[C:7](=[O:6])-[O:8])-[S:9](=[O:10])(=[O:11])-[F:12].[C:1]-[O:2]	1	37131
+[C:1]=[C:2](-[C:3])-[C:4]>>[C:1]-[C:2](-[C:3])(-[C:4])-[O:5]	1	37136
+[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]-[N:7]>>[c:1](:[n:2]):[c:5](:[c:4]:[n:3])-[C:6]#[N:7]	1	37155
+[n:1]:[c:2]:[c:3](-[C:4](-[N:5]-[c:6])=[O:8]):[n:7]>>[n:1]:[c:2]:[c:3](-[C:4](=[O:8])-[Cl:9]):[n:7].[N:5]-[c:6]	1	37158
+[N:1]-[C:2]-[C:3]>>[C:2](-[C:3])-[O:4].[N:1]	1	37172
+[c:1]-[O:2]-[C:3](-[F:4])-[F:5]>>[C:3](-[F:4])(-[F:5])(-[C:8](-[O:7]-[C:6])=[O:9])-[Cl:10].[c:1]-[O:2]	1	37175
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5](-[C:6](-[F:7])(-[F:8])-[F:9]):[c:10]:1-[C:11])-[O:12]>>[C:1](-[C:10](-[C:5](-[C:6](-[F:7])(-[F:8])-[F:9])=[O:16])-[C:11])(=[O:12])-[O:15]-[C:14]-[C:13].[N:2]-[C:3]=[N:4]	1	37189
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+[O:1]=[C:2](-[N:3]-[c:4])-[N:5]>>[O:1]=[C:2](-[N:3](-[c:4])-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8](-[O:7]-[C:6]):[c:14]:[c:13]:1)-[N:5]	1	37704
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+[N:1]#[C:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:7](-[C:8](-[F:9])(-[F:10])-[F:11]):[c:12]:1)-[Cl:14]>>[N-:1]=[C:2]=[C:3]-1-[N+:4](-[C:5](=[C:6]-[C:7](-[C:8](-[F:9])(-[F:10])-[F:11])=[C:12]-1)-[Cl:14])=[O:13]	1	37717
+[c:1]:1:[c:2](-[C:3]):[o:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[C:1](-[C:2]-[O:4]-[c:5](:[c:6]:[c:7]):[c:8])#[C:3]	1	37723
+[C:1]-[n:2]:1:[n:3]:[c:4](-[C:5](-[F:6])(-[F:7])-[F:8]):[c:9](-[C:10]):[c:11]:1-[O:12]-[C:13](-[F:14])-[F:15]>>[C:13](-[F:14])(-[F:15])-[Cl:16].[C:1]-[N:2]-1-[N:3]=[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])-[C:9](-[C:10])-[C:11]-1=[O:12]	1	37733
+[N:1](-[C:2]-1=[N:3]-[C:4]-[C:5]-[C:6]-[S:7]-1)-[C:9]=[O:8]>>[N:1](-[C:2](-[N:3]-[C:4]-[C:5]-[C:6]-[O:10])=[S:7])-[C:9]=[O:8]	1	37736
+[N:1]=[C:2](-[N:3]-[C:4])-[S:5]>>[N:1](-[C:2](=[N:3]-[C:4])-[S:5])-[C:7](=[O:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	37739
+[C:1](=[O:2])-[N:3]-[c:4](:[n:5]:[c:6](-[C:7]-[N:11]-[C:9](-[O:8])=[N:10]):[c:12]):[c:13]>>[c:4](:[n:5]:[c:6](-[C:7]-[N:11]=[C:9](-[O:8])-[N:10]):[c:12])(:[c:13])-[Br:14].[C:1](=[O:2])-[N:3]	1	37740
+[C:1]-[N:5]=[C:3](-[O:2])-[N:4]>>[C:1]-[N:5]-[C:3](-[O:2])=[N:4]-[C:7](=[O:6])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	37742
+[c:1]-[N:2]-[C:3](=[O:4])-[O:5]-[c:6]>>[c:1]-[N:2]=[C:3]=[O:4].[O:5]-[c:6]	1	37779
+[c:1]:[c:2](-[O:3]-[c:4]:1:[n:5]:[n:6](-[C:7]):[c:8](-[C:9](-[F:10])(-[F:11])-[F:12]):[c:13]:1):[c:14]>>[O:3]=[C:4]-1-[N:5]-[N:6](-[C:7])-[C:8](-[C:9](-[F:10])(-[F:11])-[F:12])=[C:13]-1.[c:1]:[c:2](:[c:14])-[F:15]	1	37788
+[N:1]-1-[C:2](=[O:3])-[N:4](-[c:5])-[C:6](=[O:7])-[C:8]=[C:9]-1-[C:10]>>[N:1]-1=[C:2](-[O:3]-[C:6](=[O:7])-[C:8]=[C:9]-1-[C:10])-[N:13](-[C:11])-[C:12].[N:4]-[c:5]	1	37789
+[n:1]:[c:4]-1:[c:3](:[n:2])-[C:10](-[N:8](-[C:6](=[N:5]-1)-[C:7])-[c:9])=[O:11]>>[C:6](-[C:7])(=[O:12])-[O:13].[n:1]:[c:4](:[c:3](:[n:2])-[C:10](-[N:8]-[c:9])=[O:11])-[N:5]	1	37797
+[c:1]:[c:9]:1:[n:4](:[c:3]:[c:2]):[c:5](-[C:6]):[c:7]:[n:8]:1>>[C:5](-[C:6])(-[C:7]=[O:10])-[Br:11].[c:1]:[c:9](:[n:4]:[c:3]:[c:2])-[N:8]	1	37807
+[N:1]#[C:2]-[C:3](-[C:4]#[N:5])(-[C:6])-[C:7]-[n:8](:[c:9]:[c:10]):[n:11]>>[C:7](-[n:8](:[c:9]:[c:10]):[n:11])-[Cl:12].[N:1]#[C:2]-[C:3](-[C:4]#[N:5])-[C:6]	1	37814
+[O:1]=[C:2](-[C:3]-[N:4]-1-[C:5]-[C:6](-[O:7])=[C:8]-[C:9]-1=[O:10])-[O:11]>>[O:1]=[C:2](-[C:3]-[N:4]-[C:5]-[C:6](-[O:7])=[C:8]-[C:9](=[O:10])-[O:14]-[C:13]-[C:12])-[O:11]	1	37821
+[C:1]-[C:2]-[c:3](:[c:4]:[n:5]):[c:6]>>[C:1]-[C:2]-[I:7].[c:3](:[c:4]:[n:5]):[c:6]	1	37826
+[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1>>[C:3](=[O:4])(-[C:5])-[Cl:11].[C:1]-[N:2]-[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1	1	37853
+[c:1]:1:[n:2]:[n:3](-[C:4]-[C:5](-[F:6])(-[F:7])-[F:8]):[c:9]:[c:10]:1>>[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])-[I:11].[c:1]:1:[n:2]:[n:3]:[c:9]:[c:10]:1	1	37858
+[C:1](-[c:2])(-[c:3])(-[N:7](-[C:5](-[N:4])=[O:6])-[C:8])-[O:9]>>[N:7]-[C:8].[C:1](-[c:2])(-[c:3])=[O:9].[N:4]-[C:5](=[O:6])-[n:13]:1:[c:12]:[c:11]:[n:10]:[c:14]:1	1	37864
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6]-[N:7])-[C:8]=[O:9]>>[C:3](-[O:4])(-[C:5](=[C:6]-[N:7])-[C:8]=[O:9])=[O:10].[c:1]-[N:2]	1	37871
+[N:1](-[c:2])-[C:4]=[O:3]>>[N+:1](-[c:2])(=[O:5])-[O-:6].[O:3]=[C:4]-[O:7]	1	37877
+[c:1]:[c:2](-[N:3]-[C:4](-[N:5]-[C:6])=[S:8]):[n:7]>>[C:4](=[N:5]-[C:6])=[S:8].[c:1]:[c:2](-[N:3]):[n:7]	1	37881
+[C:1]-[N:2](-[O:3])-[C:4]=[O:5]>>[C:4](=[O:5])-[O:11]-[C:10]-[C:7](-[F:6])(-[F:8])-[F:9].[C:1]-[N:2]-[O:3]	1	37911
+[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-[N:6](-[C:7])-[C:8]>>[F:1]-[C:2](-[F:3])(-[F:4])-[C:5]-[O:12]-[S:10](=[O:9])(=[O:11])-[C:13](-[Cl:14])(-[Cl:15])-[Cl:16].[N:6](-[C:7])-[C:8]	1	37916
+[c:1]-[O:2]-[C:3]-[C:4](-[F:5])(-[F:6])-[F:7]>>[C:3](-[C:4](-[F:5])(-[F:6])-[F:7])-[O:16]-[S:13](-[c:12]:1:[c:11]:[c:10]:[c:9](-[C:8]):[c:18]:[c:17]:1)(=[O:14])=[O:15].[c:1]-[O:2]	1	37917
+[c:1]:[c:2]:1:[n:3]:[c:4]:[n:5]:[c:6](:[c:7]:1:[c:8])-[O:9]>>[c:1]:[c:2](-[N:3]):[c:7](-[C:6](=[O:9])-[O:12]-[C:11]-[C:10]):[c:8].[C:4](-[N:5])=[O:13]	1	37931
+[N:1]#[C:2]-[C:3]-[c:4](:[n:5]):[c:6]>>[C:3](-[c:4](:[n:5]):[c:6])-[Cl:7].[N:1]#[C:2]	1	37962
+[C:1]-[C:2]-1=[C:3]-[C:4](=[O:5])-[n:6]:[c:8](:[c:7])-[N:9]-1-[C:10]-[c:11]:[c:13]:[n:12]>>[C:1]-[C:2]=1-[C:3]-[C:4](=[O:5])-[n:6]:[c:8](:[c:7])-[N:9]=1.[C:10](-[c:11]:[c:13]:[n:12])-[Cl:14]	1	37972
+[C:1]-[C:2]-[S:3]-[C:4]#[N:5]>>[C:1]-[C:2]-[Cl:6].[S:3]-[C:4]#[N:5]	1	37974
+[C:1](-[C:2]-1-[C:3]-[C:4](-[c:5])-[C:6]-[N:7]-[C:8]-1)(=[O:9])-[O:10]>>[C:1](-[c:2]:1:[c:3]:[c:4](-[c:5]):[c:6]:[n:7]:[c:8]:1)(=[O:9])-[O:10]	1	37975
+[O:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[C:6]):[n:7]:1>>[C:5](-[C:6])(=[O:8])-[O:9].[O:1]-[C:2](=[N:3]-[O:4])-[N:7]	1	37978
+[s:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[n:6]:[n:7]:1-[C:8]):[n:9]>>[s:1]:[c:2](-[c:3]:1:[n:4]:[c:5]:[n:16]:[n:15]:1-[C:14]-[C:11](-[F:10])(-[F:12])-[F:13]):[n:9].[N:6]-[N:7]-[C:8]	1	37987
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[C:8]-[C:7]-[C:6]#[N:9]	1	38013
+[N:1]-[C:2](=[O:3])-[N:4]-[C:5]=[O:6]>>[N:1]-[C:2](=[O:3])-[N:4](-[C:5]=[O:6])-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:15]:[c:14]:1	1	38039
+[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[c:7]:2:[c:8]-1:[n:9]:[c:10](-[C:11]):[n:12]:2>>[C:10](-[C:11])(=[O:13])-[O:14].[N:1]-1-[C:2](=[O:3])-[N:4]-[C:5](=[O:6])-[C:7](=[C:8]-1-[N:9])-[N:12]	1	38040
+[n:1]:[c:3](:[c:2])-[C:4]-[C:5]#[N:6]>>[n:1]:[c:3](:[c:2])-[C:4]-[Cl:8].[C:5](#[N:6])-[C:7]	1	38050
+[N:1](-[O:2]-[C:3](-[C:4])-[C:5])(-[C:8]=[O:7])-[C:9]=[O:10]>>[C:3](-[C:4])(-[C:5])-[O:6].[N:1](-[O:2])(-[C:8]=[O:7])-[C:9]=[O:10]	1	38089
+[O:1]=[C:2](-[N:3]-[O:4])-[N:5]-[c:6]>>[N:3]-[O:4].[O:1]=[C:2]=[N:5]-[c:6]	1	38090
+[O:1]=[C:2]-1-[N:3](-[C:4]-[C:5])-[N:6]=[C:7]-[N:8]-1>>[O:1]=[C:2]-1-[N:3]-[N:6]=[C:7]-[N:8]-1.[C:4](-[C:5])-[O:9]	1	38092
+[N:1]#[C:2]-[C:3](-[C:4]#[N:5])-[C:6]-[c:7]>>[N:1]#[C:2]-[C:3](-[C:4]#[N:5])=[C:6]-[c:7]	1	38093
+[n:1]:[c:2](-[C:3]-[O:4]):[c:5]:[o:6]>>[n:1]:[c:2](-[C:3]-[Cl:10]):[c:5]:[o:6].[O:4]-[C:8](-[C:7])=[O:9]	1	38094
+[N:1]-1-[C:2](=[O:3])-[C:4](-[N:5]-[c:6])=[C:7]-[S:8]-1>>[N:5]-[c:6].[N:1]-1-[C:2](=[O:3])-[C:4](=[C:7]-[S:8]-1)-[Cl:9]	1	38116
+[c:1]:[c:2](:[n+:3](:[c:4]:[c:5])-[O-:7]):[c:6]>>[c:1]:[c:2](:[n:3]:[c:4]:[c:5]):[c:6].[O:7]-[O:8]	1	38154
+[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:11]):[c:6]:[c:7](-[c:8]):[n:9]:1-[C:10]>>[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:11])-[C:6]-[C:7](-[c:8])=[O:13])=[O:12].[N:9]-[C:10]	1	38173
+[c:1](:[c:2]-[O:5]-[S:13](=[O:4])(-[C:6](-[F:7])(-[F:8])-[F:9])=[O:12]):[o:3]>>[O:4]=[S:13](-[C:6](-[F:7])(-[F:8])-[F:9])(=[O:12])-[N:17](-[S:15](=[O:14])(=[O:16])-[C:24](-[F:10])(-[F:11])-[F:25])-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1.[c:1](:[c:2]-[O:5]):[o:3]	1	38184
+[c:1]-[O:5]-[S:3](=[O:2])(=[O:4])-[C:6](-[F:7])(-[F:8])-[F:9]>>[O:2]=[S:3](=[O:4])(-[C:6](-[F:7])(-[F:8])-[F:9])-[N:14]-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:1.[c:1]-[O:5]	1	38201
+[O:1]=[C:2]-1-[C:3](-[Br:4])=[C:5](-[C:6]#[C:7])-[C:8]=[C:9]-[N:10]-1>>[O:1]=[C:2]-1-[C:3](-[Br:4])=[C:5](-[C:8]=[C:9]-[N:10]-1)-[O:14]-[S:12](=[O:11])(=[O:13])-[C:15](-[F:16])(-[F:17])-[F:18].[C:6]#[C:7]	1	38202
+[N:1]-[C:7](=[C:3](-[c:2])-[c:4](:[c:5]):[c:6])-[C:8](=[O:9])-[O:10]>>[N:1]-[C:7](=[C:3](-[c:2])-[O:14]-[S:12](=[O:11])(=[O:13])-[C:15](-[F:16])(-[F:17])-[F:18])-[C:8](=[O:9])-[O:10].[c:4](:[c:5])(:[c:6])-[B:20](-[O:19])-[O:21]	1	38203
+[C:1]#[C:2]-[C:3]-1=[N:4]-[N:5]-[C:6]-[C:7]=[C:8]-1>>[C:3]-1(=[N:4]-[N:5]-[C:6]-[C:7]=[C:8]-1)-[O:12]-[S:10](=[O:9])(=[O:11])-[C:13](-[F:14])(-[F:15])-[F:16].[C:1]#[C:2]	1	38207
+[N:1]-1-[C:2](=[O:3])-[C:4](-[N+:5])=[C:6](-[C:7]-[c:8])-[C:9]=[C:10]-1-[C:11]>>[N:1]-1-[C:2](=[O:3])-[C:4](-[N+:5])=[C:6](-[C:9]=[C:10]-1-[C:11])-[O:16]-[S:14](=[O:13])(=[O:15])-[C:17](-[F:18])(-[F:19])-[F:20].[C:7](-[c:8])-[Br:12]	1	38208
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5](-[N:6]-[C:7])-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]=[C:5](-[c:8])-[O:14]-[S:12](=[O:11])(=[O:13])-[C:15](-[F:9])(-[F:10])-[F:16].[N:6]-[C:7]	1	38210
+[c:1]-[C:6](=[C:5]-[C:3](-[O:2])=[O:4])-[c:7](:[c:8]):[c:9]>>[c:1]-[C:6](=[C:5]-[C:3](-[O:2])=[O:4])-[O:13]-[S:11](=[O:10])(=[O:12])-[C:14](-[F:15])(-[F:16])-[F:17].[c:7](:[c:8])(:[c:9])-[B:19](-[O:18])-[O:20]	1	38211
+[c:1]:1:[c:2]:[n:3](-[C:4]-[C:5](-[F:6])(-[F:7])-[F:8]):[n:9]:[c:10]:1>>[C:4](-[C:5](-[F:6])(-[F:7])-[F:8])-[O:14]-[S:12](=[O:11])(=[O:13])-[C:15](-[F:16])(-[F:17])-[F:18].[c:1]:1:[c:2]:[n:3]:[n:9]:[c:10]:1	1	38214
+[c:1]-[O:2]-[C:3]-[C:4](-[F:5])(-[F:6])-[F:7]>>[C:3](-[C:4](-[F:5])(-[F:6])-[F:7])-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15].[c:1]-[O:2]	1	38216
+[C:1]-[C:2](-[Br:3])=[C:4](-[C:5]=[C:6])-[O:10]-[S:8](=[O:7])(=[O:9])-[C:11](-[F:12])(-[F:13])-[F:14]>>[O:7]=[S:8](=[O:9])(-[C:11](-[F:12])(-[F:13])-[F:14])-[O:18]-[S:16](=[O:15])(=[O:17])-[C:19](-[F:20])(-[F:21])-[F:22].[C:1]-[C:2](-[Br:3])=[C:4](-[C:5]=[C:6])-[O:10]	1	38226
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:2:[c:6]:1:[c:7](:[n:8]:[n:9]:2-[c:10])-[O:14]-[S:12](=[O:11])(=[O:13])-[C:15](-[F:16])(-[F:17])-[F:18]>>[O:11]=[S:12](=[O:13])(-[C:15](-[F:16])(-[F:17])-[F:18])-[O:22]-[S:20](=[O:19])(=[O:21])-[C:23](-[F:24])(-[F:25])-[F:26].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]-2:[c:6]:1-[C:7](-[N:8]-[N:9]-2-[c:10])=[O:14]	1	38227
+[C:1]-[C:2]=[C:3]-[O:9]-[S:7](=[O:6])(=[O:8])-[C:10](-[F:4])(-[F:5])-[F:11]>>[F:4]-[C:10](-[F:5])(-[S:7](=[O:6])(=[O:8])-[O:15]-[S:13](=[O:12])(=[O:14])-[C:16](-[F:17])(-[F:18])-[F:19])-[F:11].[C:1]-[C:2]=[C:3]-[O:9]	1	38238
+[c:1]:[c:2](-[N:3]-[c:4]):[c:5]>>[N:3]-[c:4].[c:1]:[c:2](:[c:5])-[O:9]-[S:7](=[O:6])(=[O:8])-[C:10](-[F:11])(-[F:12])-[F:13]	1	38267
+[n:1]:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]>>[n:1]:[c:2]:[c:3](:[c:7])-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15].[c:4](:[c:5])(:[c:6])-[B:17](-[O:16])-[O:18]	1	38273
+[c:1]:[c:2](:[c:3])-[N:12]=[C:13]>>[c:1]:[c:2](:[c:3])-[O:7]-[S:5](=[O:4])(=[O:6])-[C:8](-[F:9])(-[F:10])-[F:11].[N:12]=[C:13]	1	38276
+[N:1]-[c:2](:[c:3]):[c:4]>>[c:2](:[c:3])(:[c:4])-[O:8]-[S:6](=[O:5])(=[O:7])-[C:9](-[F:10])(-[F:11])-[F:12].[N:1]=[C:17](-[c:16]:1:[c:15]:[c:14]:[c:13]:[c:25]:[c:24]:1)-[c:18]:2:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:2	1	38277
+[c:1]:[c:2](-[C:3](=[O:4])-[O:5]):[c:6]>>[c:1]:[c:2](:[c:6])-[O:11]-[S:9](=[O:8])(=[O:10])-[C:12](-[F:13])(-[F:14])-[F:15].[C:3](=[O:4])(-[O:5])-[C:7]	1	38298
+[c:1]:[c:2](-[C:3]#[C:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[O:9]-[S:7](=[O:6])(=[O:8])-[C:10](-[F:11])(-[F:12])-[F:13].[C:3]#[C:4]	1	38301
+[c:1]:[c:2](-[N:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[O:18]-[S:16](=[O:15])(=[O:17])-[C:19](-[F:20])(-[F:21])-[F:22].[N:3]=[C:6](-[c:5]:1:[c:13]:[c:14]:[c:23]:[c:24]:[c:25]:1)-[c:7]:2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2	1	38315
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[c:6](:[n:7]:[c:8]:[c:9]):[c:10]):[c:11]:1>>[c:6](:[n:7]:[c:8]:[c:9])(:[c:10])-[O:18]-[S:16](=[O:15])(=[O:17])-[C:19](-[F:20])(-[F:21])-[F:22].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[c:11]:1)-[B:13](-[O:12])-[O:14]	1	38316
+[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]-[c:6]):[n:7]:[n:8]:1>>[N:5]-[c:6].[c:1]:1:[c:2]:[n:3]:[c:4](:[n:7]:[n:8]:1)-[S:10](-[C:9])=[O:11]	1	38352
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]:[c:8]:[n:7]):[o:9]:1>>[c:1]-[C:2](-[N:3]-[N:4]-[C:5](-[c:6]:[c:8]:[n:7])=[O:9])=[O:10]	1	38393
+[n:1]:[c:2]:[c:3](-[C:4]-[O:7]):[c:5]:[n:6]>>[n:1]:[c:2]:[c:3](-[C:4](-[O:7])=[O:8]):[c:5]:[n:6]	1	38397
+[c:1](-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[o:8]):[c:9]:[n:10]>>[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[o:8])-[O:11].[c:1](-[N:2]):[c:9]:[n:10]	1	38407
+[c:1]-[N:2]=[C:4](-[c:3])-[c:5]>>[c:1]-[N:2].[c:3]-[C:4](-[c:5])=[O:6]	1	38416
+[C:1]-[N:2]-1-[C:3]-2=[N:4]-[C:5](-[O:6])=[N:7]-[C:8](=[O:9])-[C:10]-2=[N:11]-[c:12]:[c:13]-1>>[C:1]-[N:2]-[c:13]:[c:12]-[N:11].[C:3]-1(-[N:4]-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[C:10]-1=[O:15])=[O:14]	1	38417
+[n:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[c:7]:1:[c:6]>>[N+:1](-[c:7](:[c:4](-[C:3]-[C:2]#[N:8]):[c:5]):[c:6])(=[O:9])-[O-:10]	1	38485
+[c:1]:1:[n:2]:[n:3](-[C:4](=[O:5])-[c:6]):[c:7](:[c:8]):[c:9]:1>>[C:4](=[O:5])(-[c:6])-[Cl:10].[c:1]:1:[n:2]:[n:3]:[c:7](:[c:8]):[c:9]:1	1	38505
+[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5](:[c:6]):[c:8](:[c:7]):[n:9]:1>>[O:1]=[C:2](-[C:3]=[C:4]-[c:5](:[c:6]):[c:8](:[c:7])-[N:9])-[O:12]-[C:11]-[C:10]	1	38528
+[O:1]-[C:2](=[O:3])-[C:4]>>[C:2](-[O:3])-[C:4].[O:1]-[I+3:8](-[O-:5])(-[O-:6])-[O-:7]	1	38549
+[c:1]-[N:2]-1-[C:3](=[S:4])-[N:5](-[c:6])-[C:7](=[N:8])-[C:9]-1>>[C:3](=[S:4])=[N:5]-[c:6].[c:1]-[N:2]-[C:9]-[C:7]#[N:8]	1	38555
+[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1-[C:7]-[c:8](:[n:9]):[o:10]>>[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]):[n:6]:1.[C:7](-[c:8](:[n:9]):[o:10])-[Cl:11]	1	38588
+[c:1]:1:[c:2]:[c:3]:[c:4]:[c:5](-[N:6]):[c:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:5](:[c:4]:[c:7]:1)-[N:6]	1	38594
+[c:1]-[c:2]:1:[n:3]:[o:4]:[c:5](-[c:6]:2:[c:7]:[n:8]:[n:9]:[c:10]:2):[n:11]:1>>[O:4]-[C:5](-[c:6]:1:[c:7]:[n:8]:[n:9]:[c:10]:1)=[O:12].[c:1]-[C:2](=[N:3]-[O:13])-[N:11]	1	38627
+[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5]:[c:6]:1)-[I:7]>>[c:1]:1(:[n:2]:[c:3]:[n:4]:[c:5]:[c:6]:1)-[Cl:8].[I:7]	1	38634
+[C:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]:[n:7]):[c:8]>>[c:5](:[c:6]:[n:7])(:[c:8])-[Br:9].[C:1]-[C:2](=[O:3])-[N:4]	1	38636
+[c:1](:[c:2](-[c:3]:1:[n:4]:[c:5]:2:[n:6]:[c:7]:[c:8]:[c:9]:[c:10]:2:[c:11]:[c:12]:1):[n:13]):[s:14]>>[c:1](:[c:2](-[C:3](-[C:12])=[O:15]):[n:13]):[s:14].[N:4]-[c:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:[c:10]:1-[C:11]=[O:16]	1	38639
+[O:1]=[C:2](-[C:3])-[N:5]-[C:4]>>[O:1]=[C:2](-[C:3])-[N:5](-[C:4])-[C:10]-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:1	1	38641
+[n:1]:[c:2]:[c:3](-[C:4](-[N:5])=[S:6]):[s:7]>>[n:1]:[c:2]:[c:3](-[C:4]#[N:5]):[s:7].[S:6]	1	38642
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:9]>>[C:1]-[N:2]-[C:3].[N:6]-[c:7](:[n:8]):[c:9].[C:4](=[O:5])(-[n:12]:1:[c:11]:[c:10]:[n:19]:[c:18]:1)-[n:13]:2:[c:14]:[c:15]:[n:16]:[c:17]:2	1	38654
+[n:1]:[c:2]:[c:3](-[c:4]:1:[c:5]:[c:6]:[c:7]:[o:8]:1):[c:9]>>[n:1]:[c:2]:[c:3](:[c:9])-[Br:10].[c:4]:1(:[c:5]:[c:6]:[c:7]:[o:8]:1)-[B:12](-[O:11])-[O:13]	1	38667
+[c:1]-[O:2]-[c:3](:[c:4]):[c:5]>>[c:1]-[O:2]-[C:8]-[O:7]-[C:6].[c:3](:[c:4])(:[c:5])-[F:9]	1	38675
+[O:1]=[C:2](-[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8])-[O:11]>>[N:5]-[c:6](:[c:7]):[n:10]:[c:9]:[c:8].[O:1]=[C:2](-[C:3](=[C:4]-[O:12])-[Cl:13])-[O:11]	1	38702
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[c:7]):[c:8]:[n:9]>>[N:6]-[c:7].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:10]):[c:8]:[n:9]	1	38718
+[C:1]-[c:2]:1:[n:3]:[n:4]:[n:5]:[n:6]:1-[c:7]>>[N:6]-[c:7].[N-:3]=[N+:5]=[N-:4].[C:1]-[C:2](=[O:8])-[O:9]	1	38746
+[O:1]=[C:2]-[C:3]=[C:4](-[c:5])-[O:6]-[c:7]>>[O:1]=[C:2]-[C:3]=[C:4]-[c:5].[O:6]-[c:7]	1	38752
+[c:1]-[C:2]-[N:3]-1-[C:4]-[C:5]-[O:6]-[C:7]-1=[O:8]>>[c:1]-[C:2]-[Br:9].[N:3]=1-[C:4](-[C:5]-[O:6]-[C:7]=1)=[O:8]	1	38758
+[n:1]:1:[n:2]:[c:3](-[O:4]-[c:5](:[c:6]):[c:7]):[c:8]:[c:9]:1-[C:10]>>[c:5](:[c:6])(:[c:7])-[F:11].[N:1]-1-[N:2]-[C:3](=[O:4])-[C:8]=[C:9]-1-[C:10]	1	38770
+[C:1](-[c:2](:[c:3]):[c:4])=[O:5]>>[c:2](:[c:3]):[c:4].[C:1](=[O:5])-[O:7]-[C:6]	1	38774
+[n:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:1>>[n:1]:1(:[n:2]:[c:3]:[c:4]:[c:5]:1)-[S:9](-[N:7](-[C:6])-[C:8])(=[O:10])=[O:11]	1	38779
+[c:1]:1:[c:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]:[n:8]:1>>[c:1]:1:[c:2]:[c:3](:[c:7]:[n:8]:1)-[I:9].[c:4](:[c:5])(:[c:6])-[B:11](-[O:10])-[O:12]	1	38783
+[n:1]:[c:2]:[c:3]:[c:4]:[c:5]>>[n:1]:[c:2]:[c:3]:[c:4](:[c:5])-[Cl:6]	1	38800
+[n:1]:[c:2]:[c:3]:[c:7](-[c:6](:[c:4]):[c:5]):[c:8]>>[n:1]:[c:2]:[c:3]:[c:7]:[c:8].[c:4]:[c:6]:[c:5]	1	38802
+[n:1]:1:[c:2]:[c:3]:[c:4](:[c:5]):[c:7]:1:[c:6]>>[N:1]-[c:7](:[c:4](-[C:3]#[C:2]):[c:5]):[c:6]	1	38803
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[C:7]-[C:6]=[C:8]	1	38808
+[N:1]=[C:2](-[C:3](=[C:4](-[C:5])-[N:6])-[C:8]=[C:7])-[N:9]-[O:10]>>[N:1]#[C:2]-[C:3](=[C:4](-[C:5])-[N:6])-[C:8]=[C:7].[N:9]-[O:10]	1	38813
+[O:1]-[C:2](=[C:3]-[N:4])-[C:5]=[O:6]>>[O:1](-[C:2](=[C:3]-[N:4])-[C:5]=[O:6])-[C:7]	1	38815
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:6]-[O:5]-[C:4]-[C:3]	1	38832
+[n:1]:[c:2]:[c:3]-[C:4]-[n:5]:1:[c:6]:[c:7](:[n:8]):[c:9]:[c:10]:[n:11]:1>>[n:1]:[c:2]:[c:3]-[C:4]-[Br:12].[n:5]:1:[c:6]:[c:7](:[n:8]):[c:9]:[c:10]:[n:11]:1	1	38864
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[n:6]:[c:7]:[c:8]:[c:9]:2):[c:10](-[O:11]):[n:12]:1>>[N:3]-[c:4]:1:[c:5](:[n:6]:[c:7]:[c:8]:[c:9]:1)-[C:10](=[O:11])-[N:12].[c:1]-[C:2]=[O:13]	1	38872
+[c:1]:1:[c:2]:[n:3]:[c:4](-[c:5]:2:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:2):[n:11]:1>>[c:1]:1:[c:2]:[n:3]:[c:4](:[n:11]:1)-[Br:15].[c:5]:1(:[c:6]:[c:7]:[n:8]:[c:9]:[c:10]:1)-[B:13](-[O:12])-[O:14]	1	38885
+[c:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1>>[c:1]-[C:2]-[O:8].[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1	1	38911
+[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[S:6]>>[c:1]:[c:5](:[n:4]:[c:3]:[c:2])-[Cl:7].[S:6]=[C:9](-[N:8])-[N:10]	1	38927
+[S:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:9].[S:1]-[N:2]	1	38931
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2]#[N:10].[O:3]-[C:8](-[C:6](-[C:4](-[O:5])-[C:12](=[O:11])-[O:13])-[O:7])=[O:9]	1	38934
+[C:1]-[c:2]:1:[c:3](:[c:4]:[c:5]:[c:6](-[C:7]#[N:8]):[n:9]:1)-[C:10]>>[C:1]-[C:2]-1=[C:3](-[C:4]=[C:5]-[C:6](=[C:7]=[N-:8])-[N+:9]-1=[O:11])-[C:10]	1	38936
+[c:1]:[c:2](-[I:3]):[c:4]>>[c:1]:[c:2](:[c:4])-[N:7].[I:3]-[C:6]-[I:5]	1	38939
+[O:1]=[C:2](-[C:3]-1-[C:4]-[C:5]-[N:6](-[c:7])-[C:8]-1=[O:9])-[O:10]>>[N:6]-[c:7].[O:1]=[C:2]-1-[C:3]-2(-[C:4]-[C:5]-2)-[C:8](=[O:9])-[O:14]-[C:12](-[O:10]-1)(-[C:11])-[C:13]	1	38988
+[N:1]#[C:2]-[C:3]-1=[C:4](-[C:5])-[N:6]-[C:7]-[C:8](-[C:9])=[C:10]-1>>[C:3]-1(=[C:4](-[C:5])-[N:6]-[C:7]-[C:8](-[C:9])=[C:10]-1)-[I:11].[N:1]#[C-:2]~[Cu+:12]	1	39002
+[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1-[C:6]-[C:7]>>[C:6](-[C:7])-[Cl:8].[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:1	1	39003
+[C:1]-[C:5](-[C:4]-1=[C:3](-[C:2])-[N:12](-[C:10](-[N:9]-[C:7]-1-[c:8])=[O:11])-[c:13])=[O:6]>>[C:1]-[C:5](-[C:4]=[C:3](-[C:2])-[N:12]-[c:13])=[O:6].[C:7](-[c:8])(-[N:9]=[C:10]=[O:11])-[Cl:14]	1	39017
+[C:1]-[n:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:1-[C:7]>>[C:1]-[N:2].[C:6](-[C:7])=[O:18].[C:3](-[N+:4]#[C-:5])-[S:13](-[c:12]:1:[c:11]:[c:10]:[c:9](-[C:8]):[c:17]:[c:16]:1)(=[O:14])=[O:15]	1	39035
+[N:1]-1-[C:2]=[C:3](-[c:4](:[c:5]):[c:6])-[C:7]=[C:8](-[O:9])-[C:10]-1>>[c:4](:[c:5])(:[c:6])-[B:13](-[O:12])-[O:14].[N:1]-1-[C:2]=[C:3](-[C:7]=[C:8](-[O:9])-[C:10]-1)-[Br:11]	1	39042
+[O:1]-[C:2]-[c:3]:[c:4]:[s:5]>>[O:1]=[C:2](-[c:3]:[c:4]:[s:5])-[O:7]-[C:6]	1	39063
+[c:1]-[C:2]-[N:3]>>[c:1]-[C:2]=[O:4].[N:3]-[O:5]	1	39119
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+[c:1]:1-[O:2]-[C:3]-[C:4](-[C:5](=[O:6])-[N:7])-[c:8]:1:[n:9]>>[c:1](-[O:2]):[c:8](-[C:4](-[C:3]-[O:10])-[C:5](=[O:6])-[N:7]):[n:9]	1	39158
+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1>>[c:1]:1:[c:2](:[n:3]:[n:4]:[c:5]:1)-[I:6]	1	39172
+[O:1]-[C:2](-[c:3]:[c:5]:[n:4])-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1>>[O:1]=[C:2](-[c:3]:[c:5]:[n:4])-[c:6]:1:[c:7]:[o:8]:[n:9]:[c:10]:1	1	39174
+[c:1]:[c:3](:[n:2])-[c:4]:1:[n:5]:[c:6]:2:[c:7](:[c:8]:[c:9]:[n:10]:[c:11]:2):[n:12]:1>>[c:1]:[c:3](:[n:2])-[C:4]=[O:13].[N:5]-[c:6]:1:[c:7](:[c:8]:[c:9]:[n:10]:[c:11]:1)-[N:12]	1	39179
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[Cl:8].[c:1]:[c:2](:[c:6])-[Br:7]	1	39217
+[O:1]-[C:2](=[O:3])-[C:4]-[c:5]>>[C:4]-[c:5].[O:1]-[C:2](=[O:3])-[O:7]-[C:6]	1	39261
+[N:1]-[C:10](-[C:2]-1-[C:3]-[C:4]-[C:5](-[c:6](:[n:7]):[n:8])=[N:9]-1)=[O:11]>>[N:1]-[C:10](-[C:2](-[C:3]-[C:4]#[C:5]-[c:6](:[n:7]):[n:8])-[N:9])=[O:11]	1	39296
+[c:1](:[c:2](-[C:3]-[N:4]-[c:5]):[s:6]):[n:7]>>[c:1](:[c:2](-[C:3]=[O:8]):[s:6]):[n:7].[N:4]-[c:5]	1	39310
+[c:1]-[C:2]-1=[N:3]-[O:4]-[C:5](=[O:6])-[N:7]-1>>[c:1]-[C:2](-[N:3]-[O:4])=[N:7].[C:5](-[O:6]-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)(=[O:8])-[Cl:9]	1	39316
+[c:1]-[O:2]-[C:3](-[C:4])-[c:5](:[n:6]):[c:7]>>[C:3](-[C:4])(-[c:5](:[n:6]):[c:7])-[O:8].[c:1]-[O:2]	1	39333
+[c:1]-[C:2]-[N:3](-[C:4])-[c:5](:[n:6]):[s:7]>>[N:3](-[C:4])-[c:5](:[n:6]):[s:7].[c:1]-[C:2]-[Cl:8]	1	39334
+[C:1](-[C:2]=[O:3])=[O:4]>>[C:1](-[C:2])=[O:4].[O:3]	1	39393
+[C:1](-[C:2]-[c:3])(-[C:4]=[O:5])-[C:7](=[O:6])-[O:8]>>[C:1](-[C:4]=[O:5])-[C:7](=[O:6])-[O:8].[C:2](-[c:3])-[Br:9]	1	39408
+[c:1]-[C:2](-[C:3]#[N:4])=[C:5]-[c:6]>>[C:5](-[c:6])=[O:7].[c:1]-[C:2]-[C:3]#[N:4]	1	39440
+[O:1]-[C:2]-[C:3]>>[O:1]-[C:2](-[C:3])(-[C:4])-[C:5]	1	39447
+[c:1]:[c:2](:[c:3]:[n:8])-[C:6](=[N:5]-[C:4])-[C:7]>>[c:1]:[c:2]:[c:3]:[n:8].[C:4]-[N:5]-[C:6](-[C:7])=[O:9]	1	39455
+[C:1](-[C:2])=[O:3]>>[C:1]-1(-[C:2])-[O:3]-[C:7]-[C:4]-[C:5]-[O:6]-1	1	39457
+[c:1](:[c:2]:[n:7])-[C:5](-[N:4]-[C:3])-[C:6]>>[c:1](:[c:2]:[n:7])-[C:5](=[N:4]-[C:3])-[C:6]	1	39461
+[c:1]:1:[c:2](-[C:3](-[C:4])-[N:5]-[C:6]):[n:7]:[c:8]:[n:9]:1>>[C:3](-[C:4])=[O:10].[c:1]:1:[c:2]:[n:7]:[c:8]:[n:9]:1.[N:5]-[C:6]	1	39463
+[n:1]:1:[n:2]:[c:3]:[c:4](-[n:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:2):[c:10]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](:[c:10]:1)-[I:11].[n:5]:1:[c:6]:[c:7]:[c:8]:[n:9]:1	1	39471
+[O:1]=[C:2](-[O:3])-[C:4]-[N:5]-[C:6](=[O:7])-[C:8](=[C:9]-[O:10])-[C:12](-[N:11])=[O:13]>>[C:6](=[O:7])(-[C:8](=[C:9]-[O:10])-[C:12](-[N:11])=[O:13])-[O:15]-[C:14].[O:1]=[C:2](-[O:3])-[C:4]-[N:5]	1	39480
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+[O:1]=[C:2]-1-[N:3]-[C:4]-[C:5]-[N:6]-1>>[O:1]=[C:2]-1-[N:3]-[C:4]-[C:5](-[N:6]-1)=[O:7]	1	39521
+[O:1]=[C:2]-1-[N:3]-[C:4]-[C:5](-[N:6]-1-[c:7])=[O:8]>>[O:1]=[C:2](-[N:3]-[C:4]-[C:5](=[O:8])-[O:10]-[C:9])-[N:6]-[c:7]	1	39525
+[n:1]:[c:2](-[C:3]-[C:4]-[c:5]):[n:6]>>[n:1]:[c:2](-[C:3]=[C:4]-[c:5]):[n:6]	1	39535
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+[C:1](-[C:2])(=[O:3])-[N:5](-[O:4]-[C:7])-[C:6]>>[C:1](-[C:2])(=[O:3])-[O:8].[O:4](-[C:6]-[N:5])-[C:7]	1	39544
+[C:1]=[C:2]-1-[N:3]-[C:4](=[O:5])-[C:6]-[N:7]-[C:8]-1=[O:9]>>[C:1]=[C:2]-1-[N:3](-[C:4](=[O:5])-[C:6]-[N:7]-[C:8]-1=[O:9])-[C:11](-[C:10])=[O:12]	1	39552
+[c:1]-[C:2]=[C:3]-1-[N:4](-[C:5](=[O:6])-[C:7]-[N:8]-[C:9]-1=[O:10])-[C:12](-[C:11])=[O:13]>>[c:1]-[C:2]=[O:14].[C:3]-1-[N:4](-[C:5](=[O:6])-[C:7]-[N:8]-[C:9]-1=[O:10])-[C:12](-[C:11])=[O:13]	1	39553
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+[N:1]-[c:2](:[n:3]):[n:4]>>[N:1](-[c:2](:[n:3]):[n:4])=[C:5]=[S:6]	1	39595
+[N:1]-1-[C:2](=[O:3])-[N:4](-[c:5])-[C:6](-[C:7])=[C:8]-1-[c:9](:[c:10]):[n:11]>>[n:1]:1:[c:2](-[O:3]-[C:13]-[C:12]):[n:4](-[c:5]):[c:6](-[C:7]):[c:8]:1-[c:9](:[c:10]):[n:11]	1	39602
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[n:6]:[c:7](:[c:8]):[c:9]>>[c:3](:[c:4])(:[c:5])-[B:12](-[O:11])-[O:13].[c:1]:[c:2](:[n:6]:[c:7](:[c:8]):[c:9])-[Br:10]	1	39615
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+[C:1]-1=[C:2]-[N:3]-[N:4]=[C:5](-[N:6])-[C:7]-1=[O:8]>>[C:1]-1=[C:2]-[N:3]-[N:4]=[C:5](-[C:7]-1=[O:8])-[C:10](=[O:9])-[O:11].[N:6](=[N+:13]=[N-:12])-[P:14](=[O:15])(-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2	1	39657
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+[C:1]-[C:2]-[N:3]-[c:4]>>[N:3]-[c:4].[C:1]-[C:2]-[O:5]	1	39680
+[N:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:[n:8]:1)-[S:10]-[C:9].[N:1]-[N:2]	1	39682
+[C:1](-[C:2]-[c:3])(-[C:4]=[O:5])-[C:7](=[O:6])-[O:8]>>[C:2](-[c:3])-[Cl:9].[C:1](-[C:4]=[O:5])-[C:7](=[O:6])-[O:8]	1	39690
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+[C:1](=[C:2]-1-[N+:3](-[C:4]=[C:5]-[C:6](-[c:7](:[n:8]):[c:9])=[C:10]-1)=[O:13])=[N-:11]>>[c:2]:1:[n+:3](:[c:4]:[c:5]:[c:6](-[c:7](:[n:8]):[c:9]):[c:10]:1)-[O-:13].[C:1](#[N:11])-[C:12]	1	39697
+[C:1](-[C:2]-[Cl:4])=[O:3]>>[C:1](-[C:2])=[O:3].[Cl:4]-[S:6](=[O:5])(=[O:7])-[Cl:8]	1	39711
+[C:1]-[C:2](-[N:3]-[c:4]:[c:5]-[C:6](=[O:7])-[C:8]-[C:9](=[O:10])-[N:11])=[O:12]>>[C:1]-[C:2]-1=[N:3]-[c:4]:[c:5]-[C:6](=[O:7])-[O:12]-1.[C:8]-[C:9](=[O:10])-[N:11]	1	39714
+[N:1]-[C:2]>>[N:1](-[C:2])(-[C:4](-[C:3])(-[C:5])-[C:6])-[C:7](=[O:8])-[O:9]	1	39752
+[O:1]=[C:2]-1-[N:3]-[C:4](-[c:5])=[N:6]-[N:7]-1.[C:8]#[C:9]-[c:10](:[c:11]):[c:12]>>[c:10](:[c:11])(:[c:12])-[I:13].[O:1]=[C:2]-1-[N:3]=[C:4](-[c:5])-[N:6]-[N:7]-1.[C:8]#[C:9]	1	39762
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+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[N:7]-[S:8]>>[N:7]-[S:8].[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:[c:6]:1-[Cl:9]	1	39768
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8]):[c:11]>>[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8].[c:1]:[c:2](:[c:11])-[I:12]	1	39769
+[C:1]=[C:2]-[c:3]:[c:4]:[n:5]>>[C:2](-[c:3]:[c:4]:[n:5])=[O:18].[C:1]-[P+:23](-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)(-[c:22]:2:[c:16]:[c:17]:[c:19]:[c:20]:[c:21]:2)-[c:24]:3:[c:9]:[c:8]:[c:7]:[c:6]:[c:25]:3	1	39785
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[s:10]:1>>[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[S:10].[c:1]-[C:2]=[O:11]	1	39818
+[C:1]-[C:2](=[C:3])-[C:4](=[O:5])-[N:6]-[S:7]>>[C:1]-[C:2](=[C:3])-[C:4](=[O:5])-[O:8].[N:6]-[S:7]	1	39820
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+[c:1]-[C:2](=[O:3])-[N:4](-[C:5])-[C:6]-[C:7]-[N:8]-[c:9](:[n:10]:[c:11]:[c:12]):[c:13]>>[c:9](:[n:10]:[c:11]:[c:12])(:[c:13])-[Cl:14].[c:1]-[C:2](=[O:3])-[O:25].[N:4](-[C:5])-[C:6]-[C:7]-[N:8]-1-[C:16](=[O:15])-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2-[C:23]-1=[O:24]	1	39839
+[c:1]:1:[c:2]:2-[N:3]-[C:4](=[S:5])-[C:6]=[C:7](-[C:8](-[F:9])(-[F:10])-[F:11])-[n:12]:2:[n:13]:[c:14]:1>>[c:1]:1:[c:2]:2:[n:3]:[c:4](:[c:6]:[c:7](-[C:8](-[F:9])(-[F:10])-[F:11]):[n:12]:2:[n:13]:[c:14]:1)-[Cl:15].[S:5]	1	39866
+[N:1]-[C:2]-1=[N:3]-[n:4]:2:[c:5](:[n:6]:[n:7]:[c:8]:2)-[C:9]-[C:10]-1>>[N:1]-[c:2]:1:[n:3]:[n:4]:2:[c:5](:[n:6]:[n:7]:[c:8]:2):[c:9]:[c:10]:1	1	39868
+[n:1]:[c:2]:1:[c:3](-[c:4]:2:[n:5]:[c:6](-[c:7]):[n:8]:[o:9]:2):[c:10]:[n:11]:[n:12]:1>>[n:1]:[c:2]:1:[c:3](-[C:4](=[O:13])-[O:14]):[c:10]:[n:11]:[n:12]:1.[N:5]=[C:6](-[c:7])-[N:8]-[O:9]	1	39870
+[c:1]-[S:2](-[N:3])(=[O:4])=[O:5]>>[c:1]-[S:2](=[O:4])(=[O:5])-[C:6].[N:3]-[O:11]-[S:8](=[O:7])(=[O:9])-[O:10]	1	39880
+[N:1](-[C:2]-[C:3](-[O:4])-[c:5](:[c:6]:[s:7]):[n:8])-[C:9]>>[C:2](-[C:3](=[O:4])-[c:5](:[c:6]:[s:7]):[n:8])-[Br:10].[N:1]-[C:9]	1	39882
+[c:1](:[n:2]):[c:4](:[n:3])-[c:5]:1:[n:6]:[n:7]:[c:8](-[C:9]):[o:10]:1>>[c:1](:[n:2]):[c:4](:[n:3])-[C:5](-[N:6]-[N:7]-[C:8](-[C:9])=[O:11])=[O:10]	1	39891
+[C:1](=[C:2](-[c:3](:[c:4]):[c:5])-[C:6]=[N:7])-[C:9]=[C:8]>>[C:1](=[C:2](-[C:6]=[N:7])-[Cl:10])-[C:9]=[C:8].[c:3](:[c:4])(:[c:5])-[B:12](-[O:11])-[O:13]	1	39926
+[c:1]-[O:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4])(:[c:6]:[n:5])-[F:7].[c:1]-[O:2]	1	39927
+[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[c:7]):[c:8]:[n:9]:1>>[n:1]:1:[c:2]:[c:3](-[C:4](=[O:5])-[Cl:10]):[c:8]:[n:9]:1.[N:6]-[c:7]	1	39964
+[n:1]:1:[c:2]:[c:3](-[C:4](-[C:5])-[O:6]):[c:7]:[n:8]:1>>[n:1]:1:[c:2]:[c:3](-[C:4]=[O:6]):[c:7]:[n:8]:1.[C:5]-[Mg:10]-[Br:9]	1	39977
+[C:1]-[N:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[s:7]:1)-[C:8]>>[c:3]:1(:[n:4]:[n:5]:[c:6]:[s:7]:1)-[Cl:9].[C:1]-[N:2]-[C:8]	1	39985
+[n:1]:[c:2](-[N:3]-[c:4]:1:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1):[s:10]>>[c:4]:1(:[n:5]:[c:6]:[n:7]:[c:8]:[c:9]:1)-[Cl:11].[n:1]:[c:2](-[N:3]):[s:10]	1	40025
+[n:1]:[c:2]:[c:3](-[c:4]:1:[n:5]:[c:6](:[c:7](:[c:8]):[o:10]:1):[c:9]):[n:11]>>[n:1]:[c:2]:[c:3](-[C:4](-[N:5]-[c:6](:[c:7](:[c:8])-[O:10]):[c:9])=[O:12]):[n:11]	1	40029
+[O:1]=[C:2](-[N:3]=[C:4]-1-[C:5]=[C:6]-[C:7]=[C:8]-[N:9]-1-[C:10]-[c:11]:[c:13]:[n:12])-[C:14]>>[O:1]=[C:2](-[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:[n:9]:1)-[C:14].[C:10](-[c:11]:[c:13]:[n:12])-[Br:15]	1	40034
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+[O:1]-[c:2]:1:[c:3](-[C:4]):[n:5]:[c:6]:[n:7]:[c:8]:1-[O:9]>>[O:1]-[C:2]-1=[C:3](-[C:4])-[N:5]=[C:6]-[N:7](-[C:8]-1=[O:9])-[C:16]-[c:15]:2:[c:14]:[c:13]:[c:12](-[O:11]-[C:10]):[c:18]:[c:17]:2	1	40041
+[n:1]:[c:2]:[c:3]-[O:4]-[C:5](-[F:6])-[F:7]>>[C:5](-[F:6])(-[F:7])-[Cl:8].[n:1]:[c:2]:[c:3]-[O:4]	1	40057
+[c:1]:[c:2](-[O:3]-[C:4](-[F:5])-[F:6]):[n:7]>>[C:4](-[F:5])(-[F:6])-[Cl:8].[c:1]:[c:2](-[O:3]):[n:7]	1	40058
+[N:1]-[C:2](=[O:3])-[C:4](=[C:5]-[O:6]-[C:7](-[F:8])-[F:9])-[c:10]>>[C:7](-[F:8])(-[F:9])-[Cl:11].[N:1]-[C:2](=[O:3])-[C:4](-[C:5]=[O:6])-[c:10]	1	40059
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+[n:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6](-[C:7]#[N:8]):[c:9]:1-[N:10]):[c:11]>>[n:1]:[c:2](-[N:3]-[N:4]):[c:11].[C:5](-[C:6](-[C:7]#[N:8])=[C:9]-[O:14]-[C:13]-[C:12])#[N:10]	1	40103
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+[c:1]:1:[c:2]:[c:3]:[c:4]:[n+:5](-[O-:6]):[n:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[n:5]:[n:7]:1.[O:6]-[O:8]	1	40107
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+[c:1]:1:[c:2](-[c:3]:2:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:2):[n:9](:[n:10]):[c:12](:[c:11]):[n:13]:1>>[c:1]:1:[c:2](:[n:9](:[n:10]):[c:12](:[c:11]):[n:13]:1)-[I:14].[c:3]:1(:[c:4]:[c:5]:[n:6]:[c:7]:[c:8]:1)-[B:16](-[O:15])-[O:17]	1	40125
+[O:1]=[C:2](-[C:3]=[C:4]-[c:5]:[c:7]:[n:6])-[C:8]>>[C:4](-[c:5]:[c:7]:[n:6])=[O:15].[O:1]=[C:2](-[C:3]-[P:11](-[O:10]-[C:9])(=[O:12])-[O:13]-[C:14])-[C:8]	1	40137
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+[n:1]:[c:4](:[c:3]:[n:2])-[C:5](-[N:6]-[c:7]:[c:8]:[n:9])-[c:10]>>[N:6]-[c:7]:[c:8]:[n:9].[n:1]:[c:4](:[c:3]:[n:2])-[C:5](-[c:10])-[O:11]	1	40157
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+[N:1]=[C:2](-[C:3](=[O:4])-[O:5])-[c:6]:1:[c:7]:[s:8]:[c:9](-[N:10]):[n:11]:1>>[S:8]=[C:9](-[N:10])-[N:11].[N:1]=[C:2](-[C:3](=[O:4])-[O:5])-[C:6](-[C:7]-[Br:13])=[O:12]	1	42048
+[N:1]=[C:2](-[C:3](=[O:4])-[O:12])-[c:5]:1:[c:6](-[C:7]):[s:8]:[c:9](-[N:10]):[n:11]:1>>[S:8]=[C:9](-[N:10])-[N:11].[N:1]=[C:2](-[C:3](=[O:4])-[O:12])-[C:5](-[C:6](-[C:7])-[Cl:14])=[O:13]	1	42052
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+[c:1](:[c:2]-[c:3]:1:[c:4]:[s:5]:[c:6](-[N:7]):[n:8]:1):[n:9]>>[S:5]=[C:6](-[N:7])-[N:8].[c:1](:[c:2]-[C:3](-[C:4]-[Cl:11])=[O:10]):[n:9]	1	42058
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6](-[C:7](=[N:8])-[C:10]=[C:9]):[s:11]:1>>[N:1]-[C:2](-[N:3])=[S:11].[C:4](-[c:5])(-[C:6](-[C:7](=[N:8])-[C:10]=[C:9])-[Br:13])=[O:12]	1	42067
+[N:1]-[c:2]:1:[n:3]:[c:4](-[c:5]):[c:6]:[s:7]:1>>[N:1]-[C:2](-[N:3])=[S:7].[C:4](-[c:5])(-[C:6])=[O:8]	1	42072
+[C:1]-[c:2]:1:[c:3](-[C:4](=[O:5])-[O:10]):[n:6]:[c:7](-[N:8]):[s:9]:1>>[N:6]-[C:7](-[N:8])=[S:9].[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:10])=[O:11])-[Br:12]	1	42075
+[c:1]-[c:2]:1:[c:3](-[c:4]):[s:5]:[c:6](-[N:7]):[n:8]:1>>[S:5]=[C:6](-[N:7])-[N:8].[c:1]-[C:2](-[C:3]-[c:4])=[O:9]	1	42077
+[N:1]-[c:2]:1:[n:3]:[c:4](-[C:5](=[N:6])-[C:7](=[O:8])-[N:9]):[c:10]:[s:11]:1>>[N:1]-[C:2](-[N:3])=[S:11].[C:4](-[C:5](=[N:6])-[C:7](=[O:8])-[N:9])(-[C:10]-[Br:13])=[O:12]	1	42078
+[O:1]=[C:2]-1-[N:3]-[C:4](=[S:5])-[N:6]-[C:7]=[C:8]-1-[C:9]>>[N:3]-[C:4](=[S:5])-[N:6].[O:1]=[C:2](-[C:8](-[C:7]=[O:13])-[C:9])-[O:12]-[C:11]-[C:10]	1	42079
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+[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[N:6]-[N:7])-[N:8]=[C:9]-1>>[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[N:8]=[C:9]-1)-[Cl:10].[N:6]-[N:7]	1	42087
+[C:1]-[C:2](-[N:3]-[C:4])=[O:5]>>[N:3]-[C:4].[C:1]-[C:2](=[O:5])-[O:6]-[C:9](-[C:8]-[C:7])=[O:10]	1	42097
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:7]:[c:8]:[c:9]:[c:10]:1-[C:11]>>[C:1]-[C:2](=[O:3])-[C:4]=[C:5](-[C:6])-[N:7].[c:8]:1:[c:9]:[c:10](-[C:11]):[c:14]:[c:12]:[c:13]:1	1	42104
+[C:1]-[C:2]-1=[N:3]-[C:4]-[C:5]-[N:6]-1>>[C:4](-[C:5]-[N:6])-[N:7].[C:1]-[C:2]#[N:3]	1	42112
+[C:1]-[C:2]=1-[N:3]-[C:4]-[C:5]-[N:6]=1>>[C:4](-[C:5]-[N:6])-[N:7].[C:1]-[C:2]#[N:3]	1	42114
+[C:1]-[C:2]=1-[N:3]-[C:4]-[C:5]-[N:6]=1>>[N:3]-[C:4]-[C:5]-[N:6].[C:1]-[C:2](-[O:9]-[C:8]-[C:7])=[O:10]	1	42118
+[N:1]-1-[C:2]-[C:3]-[N:4]-[C:5]-[C:6]-1-[c:7](:[c:8]):[o:9]>>[N:1]-[C:2]-[C:3]-[N:4].[C:5](-[C:6](-[c:7](:[c:8]):[o:9])=[O:10])=[O:11]	1	42119
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+[c:1]-[C:2]-1-2-[C:3]-[n:4]:[c:6](:[c:5])-[C:7](=[O:8])-[N:9]-1-[C:10]-[C:11]-[N:12]-2>>[N:9]-[C:10]-[C:11]-[N:12].[c:1]-[C:2](-[C:3]-[n:4]:[c:6](:[c:5])-[C:7](=[O:8])-[O:14]-[C:13])=[O:15]	1	42127
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+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:[n:6]:1>>[N:3]-[N:4].[C:5](-[O:9]-[C:8])(-[O:10]-[C:11])-[N:12](-[C:13])-[C:14].[c:1]-[C:2](-[N:6])=[O:7]	1	42145
+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[n:6]:[c:7]:[n:8]:1>>[N:5]-[N:6].[C:7](-[N:9](-[C:10])-[C:11])(-[O:14]-[C:13])-[O:15]-[C:16].[n:1]:[c:2]:[c:3]-[C:4](-[N:8])=[O:12]	1	42147
+[c:1]:[c:2](-[c:3]:1:[n:4]:[n:5]:[c:6]:[c:7]:1-[c:8]):[n:9]>>[N:4]-[N:5].[C:6](-[N:10](-[C:11])-[C:12])(-[O:15]-[C:14])-[O:16]-[C:17].[c:1]:[c:2](-[C:3](-[C:7]-[c:8])=[O:13]):[n:9]	1	42148
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]-[C:7](=[O:8])-[O:9]):[c:10]:1>>[N:3]-[N:4].[C:1]-[C:2](-[C:10]-[C:5](-[C:6]-[C:7](=[O:8])-[O:9])=[O:11])=[O:12]	1	42151
+[c:1]:1(:[n:2]:[c:3](-[c:4]):[n:5]:[n:6]:[c:8]:1-[C:7])-[O:9]>>[N:6]-[N:14].[C:1](-[C:8](-[C:7])=[O:13])(=[O:9])-[O:12]-[C:11]-[C:10].[N:2]-[C:3](-[c:4])=[N:5]	1	42159
+[C:1]-[c:2]:1:[c:3](-[O:4]):[n:5]:[c:6](-[C:7]):[n:8]:[n:9]:1>>[N:9]-[N:14].[C:1]-[C:2](-[C:3](=[O:4])-[O:12]-[C:11]-[C:10])=[O:13].[N:5]=[C:6](-[C:7])-[N:8]	1	42160
+[C:1]-[c:2]:1:[c:3](-[O:4]):[n:5]:[c:6](-[c:7]):[n:8]:[n:9]:1>>[N:8]-[N:9].[C:1]-[C:2](-[C:3](=[O:4])-[O:12]-[C:11]-[C:10])=[O:13].[N:5]-[C:6](-[c:7])=[N:14]	1	42161
+[c:1]:1:[c:2](-[c:3]:2:[n:4]:[n:5]:[c:6](-[O:7]):[c:8]:[c:9]:2):[c:10]:[n:11]:[n:12]:1>>[N:4]-[N:5].[C:6](=[O:7])(-[C:8]=[O:14])-[O:15].[c:1]:1:[c:2](-[C:3](-[C:9])=[O:13]):[c:10]:[n:11]:[n:12]:1	1	42165
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](=[O:6])-[N:7]-[N:8]):[c:9]:1>>[N:7]-[N:8].[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](=[O:6])-[O:12]-[C:11]-[C:10]):[c:9]:1	1	42168
+[O:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:2:[c:7]:1:[s:8]:[c:9]:[n:10]:2>>[N:3]-[N:4].[O:1]=[C:2](-[c:7]:1:[c:6](-[C:5]=[O:12]):[n:10]:[c:9]:[s:8]:1)-[O:11]-[C:13]	1	42178
+[n:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5]:1:[n:6]:[c:7]:[c:8]:[c:9]:2>>[N:1]-[N:2].[C:3](-[c:4]:1:[c:5](:[n:6]:[c:7]:[c:8]:[c:9]:1)-[Cl:11])=[O:10]	1	42179
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:1>>[N:6]-[N:7].[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5]=[O:10]):[c:8](:[n:9]:1)-[Cl:11]	1	42187
+[c:1]-[C:2]-[c:3]:1:[n:4]:[n:5]:[c:6](-[O:7]):[c:8](:[c:9]):[c:11]:1:[c:10]>>[N:4]-[N:5].[c:1]-[C:2]=[O:23].[C:3]-1(-[O:7]-[C:6](-[c:8](:[c:9]):[c:11]-1:[c:10])=[O:24])-[P+:25](-[c:17]:2:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:2)(-[c:26]:3:[c:27]:[c:28]:[c:29]:[c:30]:[c:31]:3)-[c:32]:4:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:4	1	42196
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[c:5](-[c:6]):[n:7]:[n:8]:[c:9]:2:[n:10]:1>>[N:7]-[N:8].[c:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6])=[O:11]):[c:9](:[n:10]:1)-[Cl:12]	1	42199
+[c:1]:1(:[n:2]:[n:3]:[c:4](-[c:5]:[c:6]:[s:7]):[c:8](:[c:9]):[c:11]:1:[c:10])-[O:12]>>[N:2]-[N:3].[C:1](-[c:11](:[c:8](-[C:4](-[c:5]:[c:6]:[s:7])=[O:13]):[c:9]):[c:10])(=[O:12])-[O:14]	1	42210
+[c:1]:1:[c:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[c:7](-[C:8]):[n:9]:[n:10]:2>>[N:9]-[N:10].[c:1]:1:[c:2]:[c:3](:[c:4](:[c:5]:[n:6]:1)-[C:7](-[C:8])=[O:11])-[Cl:12]	1	42211
+[N:1]-[C:2]=[C:3](-[C:4](-[N:5]-[N:6])=[O:7])-[C:8]=[C:9]>>[N:5]-[N:6].[N:1]-[C:2]=[C:3](-[C:4](=[O:7])-[O:10])-[C:8]=[C:9]	1	42216
+[c:1]:[c:2]:1:[c:3]:[c:4]:2:[c:5](:[n:6]:1):[c:7](:[n:8]:[n:9]:[c:10]:2-[c:11])-[O:12]>>[N:8]-[N:9].[c:1]:[c:2]:1:[c:3]:[c:4](:[c:5](:[n:6]:1)-[C:7](=[O:12])-[O:15]-[C:14]-[C:13])-[C:10](-[c:11])=[O:16]	1	42224
+[c:1]:[c:2]:1:[n:3]:[c:4]:2:[n:5]:[n:6]:[c:7](-[N:8]):[c:9]:2:[c:10]:[c:11]:1>>[N:5]-[N:6].[c:1]:[c:2]:1:[n:3]:[c:4](:[c:9](-[C:7]#[N:8]):[c:10]:[c:11]:1)-[Cl:12]	1	42229
+[O:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:2:[c:7]:1:[c:8]:[c:9]:[n:10]:2>>[N:3]-[N:4].[O:1]=[C:2](-[c:7]:1:[c:6](-[C:5]=[O:14]):[n:10]:[c:9]:[c:8]:1)-[O:13]-[C:12]-[C:11]	1	42242
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[n:6]:[c:7]:1-[N:8]>>[N:5]-[N:6].[c:1]:[c:2](:[c:3]:[c:4])-[C:7]#[N:8]	1	42243
+[n:1]:[c:2]:1:[c:3]:[c:4](-[N:5]-[N:6]):[n:7]:[c:8]:[c:9]:1>>[N:5]-[N:6].[n:1]:[c:2]:1:[c:3]:[c:4](:[n:7]:[c:8]:[c:9]:1)-[Cl:10]	1	42252
+[C:1]-[c:2]:1:[c:3](-[c:4]):[c:5](-[c:6]:[c:7]-[O:8]):[n:9]:[n:10]:1>>[N:9]-[N:10].[C:1]-[C:2]-1=[C:3](-[c:4])-[C:5](-[c:6]:[c:7]-[O:8]-1)=[O:11]	1	42254
+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5]-2:[c:6]:1-[C:7]-[c:8](:[c:9]-2):[s:10]>>[N:3]-[N:4].[c:1]-[C:2](-[C:6]-1-[C:5](-[c:9]:[c:8](-[C:7]-1):[s:10])=[O:12])=[O:11]	1	42255
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+[C:1]-[C:2]-1=[N:3]-[N:4]-[C:5]-[C:6]-1-[c:7]>>[N:3]-[N:4].[C:1]-[C:2](-[C:6](=[C:5])-[c:7])=[O:8]	1	42302
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+[C:1](=[O:2])(-[c:3]:1:[n:4]:[n:5]:[c:6](-[c:7](:[c:8]:[n:9]):[c:11]:[n:10]):[c:12]:1)-[O:13]>>[N:4]-[N:5].[C:1](=[O:2])(-[C:3](-[C:12]-[C:6](-[c:7](:[c:8]:[n:9]):[c:11]:[n:10])=[O:15])=[O:14])-[O:13]	1	42311
+[N:1](-[c:2]:1:[c:3]:[c:4]:[c:6](:[c:5]):[n:7]:1)-[N:8]>>[N:1]-[N:8].[c:2]:1(:[c:3]:[c:4]:[c:6](:[c:5]):[n:7]:1)-[Cl:9]	1	42312
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+[c:1]-[C:2]=[C:3]-[C:4](-[O:8])=[O:9]>>[c:1]-[C:2]=[O:10].[C:3](-[C:4](-[O:8])=[O:9])=[P:15](-[c:14]:1:[c:6]:[c:7]:[c:11]:[c:12]:[c:13]:1)(-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2)-[c:22]:3:[c:5]:[c:26]:[c:25]:[c:24]:[c:23]:3	1	43294
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+[C:1](=[O:2])-[O:3]>>[C:1](=[O:2])-[O:3]-[C:6]-[C:5]#[C:4]	1	43325
+[c:1]:1:[c:2]:[n:3]:2:[c:4](:[n:5]:[c:6](-[C:7]):[c:8]:2-[C:9](=[O:10])-[O:13]):[c:11]:[n:12]:1>>[C:6](-[C:7])(-[C:8](-[C:9](=[O:10])-[O:13])-[Cl:15])=[O:14].[c:1]:1:[c:2]:[n:3]:[c:4](-[N:5]):[c:11]:[n:12]:1	1	43358
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[C:6]):[n:7]:[c:8](-[C:9]):[o:10]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[C:6])=[O:11])-[Cl:12].[N:7]-[C:8](-[C:9])=[O:10]	1	43361
+[C:1]-[c:2]:1:[c:3](-[C:4]):[c:5](-[O:6]):[n:7]:[c:8](-[c:9](:[c:10]):[n:11]):[n:12]:1>>[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:15]-[C:14]-[C:13])=[O:16].[N:7]=[C:8](-[c:9](:[c:10]):[n:11])-[N:12]	1	43363
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])(-[C:6](-[c:7])-[O:9])-[O:8]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[O:8].[C:6](-[c:7])=[O:9]	1	43366
+[C:1]-[C:2]-1=[C:3](-[C:4])-[C:5](=[O:6])-[O:7]-[c:8]:[c:9]-1:[c:10]>>[C:1]-[C:2](-[C:3](-[C:4])-[C:5](=[O:6])-[O:13]-[C:12]-[C:11])=[O:14].[O:7]-[c:8]:[c:9]:[c:10]	1	43374
+[C:1]=[C:2]-[C:3](-[C:4]-[C:5]-[C:6](=[O:7])-[O:10])=[C:8]-[C:9]>>[C:1]=[C:2]-[C:3](-[C:4]=[C:5]-[C:6](=[O:7])-[O:10])=[C:8]-[C:9]	1	43380
+[C:1]-[C:2](=[N:3]-[c:4])-[N:7](-[C:5]=[O:6])-[c:8]>>[C:1]-[C:2](-[O:11]-[C:10]-[C:9])(-[O:12]-[C:13]-[C:14])-[O:15]-[C:16]-[C:17].[N:3]-[c:4].[C:5](=[O:6])-[N:7]-[c:8]	1	43397
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6]):[n:10]:1:[c:9](:[c:7]):[c:8]>>[C:1]-[C:2](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[N:3]-[N:4]-[c:5](:[c:6]):[n:10]:[c:9](:[c:7]):[c:8]	1	43398
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8]:[c:9]:[n:10]:1:2>>[C:1]-[C:2](-[O:13]-[C:12]-[C:11])(-[O:14]-[C:15]-[C:16])-[O:17]-[C:18]-[C:19].[N:3]-[N:4]-[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:[n:10]:1	1	43399
+[C:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[n:8]:[c:10]:2:[n:9]):[n:11]:1-[C:12]>>[C:1]-[C:2](-[O:15]-[C:14]-[C:13])(-[O:16]-[C:17]-[C:18])-[O:19]-[C:20]-[C:21].[N:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[n:8]:[c:10]:1:[n:9])-[N:11]-[C:12]	1	43403
+[C:1](-[C:2]-[c:3](:[n:4]):[c:5])(=[O:6])-[O:7]>>[C:1](=[O:6])(-[O:7])-[O:10]-[C:9]-[C:8].[C:2]-[c:3](:[n:4]):[c:5]	1	43407
+[c:1]-[C:2](-[C:3](=[O:6])-[O:8])-[C:4](=[O:5])-[O:7]>>[C:3](=[O:6])(-[O:8])-[O:11]-[C:10]-[C:9].[c:1]-[C:2]-[C:4](=[O:5])-[O:7]	1	43411
+[c:1]:[c:4]:1:[c:3](:[c:2]):[c:7]:[c:6]:[s:5]:1>>[c:1]:[c:4](:[c:3]:[c:2])-[S:5]-[C:6]-[C:16](-[O:15]-[C:14]-[C:13])-[O:17]-[C:18]-[C:19].[c:7]:1:[c:8](:[c:9]:[c:10]:[c:11]:[c:12]:1)-[Cl:20]	1	43416
+[C:1]-1=[C:2]-[N:3]-[C:4](=[O:5])-[N:6]-1-[C:7]-[c:8]>>[C:7](-[c:8])-[Br:9].[C:1]-1=[C:2]-[N:3]-[C:4](=[O:5])-[N:6]-1	1	43425
+[o:1]:[c:2](-[C:3]=[C:4]-[c:5]):[c:6]>>[o:1]:[c:2](-[C:3]-[P:14](-[O:7]-[C:8]-[C:9])(-[O:13]-[C:12]-[C:11])=[O:15]):[c:6].[C:4](-[c:5])=[O:10]	1	43451
+[O:1]-[P:2](=[O:3])(-[O:4])-[c:5](:[c:6]):[c:7]>>[O:1]-[P:2](-[O:3])-[O:4].[c:5](:[c:6])(:[c:7])-[Br:8]	1	43453
+[C:1](-[C:2])(-[C:4](-[N:3])=[O:5])-[P:7](-[O:6])(=[O:8])-[O:9]>>[O:6]-[P:7](-[O:8]-[C:11]-[C:10])-[O:9].[C:1](-[C:2])(-[C:4](-[N:3])=[O:5])-[I:12]	1	43462
+[c:1]-[O:2]-[P:3](-[O:4])-[c:5]>>[P:3](-[O:4])(-[c:5])-[O:8]-[C:7]-[C:6].[c:1]-[O:2]	1	43468
+[O:1]-[C:2](=[O:3])-[C:4]-[O:5]-[c:6]>>[O:1]-[C:2](=[O:3])-[C:4].[O:5]-[c:6]	1	43481
+[O:1]=[C:2]-1-[C:3](=[N:4]-[C:5])-[N:6]-[C:7]=[C:8](-[Cl:9])-[N:10]-1>>[O:1]=[C:2]-1-[C:3](-[N:4]-[C:5])=[N:6]-[C:7]=[C:8]-[N:10]-1.[Cl:9]-[N:17]-1-[C:12](=[O:11])-[C:13]-[C:14]-[C:15]-1=[O:16]	1	43505
+[c:1]:1(:[n:2]:[c:3](:[c:4](:[c:5]):[n:7]:1):[c:6])-[Cl:8]>>[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]):[n:7]:1):[c:6].[Cl:8]-[N:15]-1-[C:10](=[O:9])-[C:11]-[C:12]-[C:13]-1=[O:14]	1	43510
+[c:1]:[c:2](-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1):[c:8]:[n:9]>>[c:1]:[c:2](:[c:8]:[n:9])-[Br:10].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1	1	43531
+[c:1](-[C:2]-[S:3]-[C:4]):[c:5]:[n:6]>>[c:1](-[C:2]-[Cl:7]):[c:5]:[n:6].[S:3]-[C:4]	1	43537
+[O:1]-[C:2]-1=[C:3]-[N:4](-[C:5]-[c:6])-[N:7]=[C:8](-[C:9]-1=[O:10])-[Cl:11]>>[O:1]-[c:2]:1:[c:3]:[n:4]:[n:7]:[c:8](:[c:9]:1-[O:10])-[Cl:11].[C:5](-[c:6])-[Br:12]	1	43552
+[c:1]-[S:2](=[O:3])(=[O:4])-[n:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:1:[c:10]:[n:11]>>[n:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:1:[c:10]:[n:11].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:12]	1	43560
+[C:1]-[C:2](-[C:3])-[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:1:[c:9]>>[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:1:[c:9].[C:1]-[C:2](-[C:3])-[O:18]-[S:15](-[c:14]:1:[c:13]:[c:12]:[c:11](-[C:10]):[c:20]:[c:19]:1)(=[O:16])=[O:17]	1	43561
+[c:1]:[c:2]:[n:3]:1:[n:4]:[c:5](-[c:6]):[c:7](-[C:8]=[O:11]):[c:9]:1:[c:10]>>[c:1]:[c:2]:[n+:3](-[N:4]):[c:9]:[c:10].[C:5](-[c:6])#[C:7]-[C:8]=[O:11]	1	43562
+[C:1](-[C:2]-[N:3](-[C:4]=[O:5])-[C:6]=[O:7])=[O:8]>>[C:1](-[C:2]-[Br:9])=[O:8].[N:3](-[C:4]=[O:5])-[C:6]=[O:7]	1	43564
+[c:1]-[C:2]=[C:3]-[c:4]>>[c:1]-[C:2](=[O:6])-[Cl:7].[C:3](-[c:4])=[C:5]	1	43571
+[c:1]-[C:2]-1=[C:3]-[c:4](:[c:5]:[n:6]):[c:7]-[N:8](-[C:9])-[C:10]-1=[O:11]>>[c:1]-[C:2]-[C:10](=[O:11])-[O:13]-[C:12].[C:3](-[c:4](:[c:5]:[n:6]):[c:7]-[N:8]-[C:9])=[O:14]	1	43574
+[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[c:6]):[c:7]>>[n:1]:[c:2](-[N:3]):[c:7].[C:4](=[O:5])(-[c:6])-[O:9]-[C:8]	1	43575
+[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[N:6]-[c:7](:[c:8]):[n:9]):[c:10]:[n:11]>>[N:6]-[c:7](:[c:8]):[n:9].[n:1]:[c:2]:[c:3](-[C:4](=[O:5])-[O:13]-[C:12]):[c:10]:[n:11]	1	43576
+[N:1]#[C:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[O:9]>>[N-:1]=[C:2]=[C:3]-1-[N+:4](-[C:5]=[C:6]-[C:7]=[C:8]-1-[O:9])=[O:10]	1	43597
+[c:1]:[c:3](:[n:2])-[N:4]-[C:5](-[n:6](:[c:9]):[c:15]:[c:8])=[S:7]>>[c:1]:[c:3](:[n:2])-[N:4].[C:5](-[n:6](:[c:9]):[c:15]:[c:8])(=[S:7])-[n:14]:1:[c:10]:[n:11]:[c:12]:[c:13]:1	1	43599
+[N:1]-[C:2](-[N:3])=[S:4]>>[N:1]-[C:2](-[n:3]:1:[c:7]:[n:6]:[c:5]:[c:8]:1)=[S:4]	1	43600
+[O:1]-[C:2]-1=[C:3]-[C:4]=[C:5]-[N:6]-2-[C:7](=[O:8])-[N:9]-[N:10]=[C:11]-1-2>>[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:11]:1-[N:10]-[N:9].[C:7](=[O:8])(-[n:14]:1:[c:13]:[c:12]:[n:21]:[c:20]:1)-[n:15]:2:[c:16]:[c:17]:[n:18]:[c:19]:2	1	43602
+[c:1]:[c:2](-[N:3]-1-[C:4]=[C:5]-[C:6]=[C:7](-[O:8])-[C:9]-1=[O:10]):[c:11]>>[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7](-[O:8]):[c:9]:1-[O:10].[c:1]:[c:2](:[c:11])-[I:12]	1	43604
+[c:1]:1:[c:2]:[c:3]:[c:4](-[C:5](=[O:6])-[O:8]):[s:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:4]:[s:7]:1.[C:5](=[O:6])=[O:8]	1	43607
+[O:1]=[C:2]-1-[C:3]=[C:4](-[O:5])-[C:6]=[C:7]-[N:8]-1-[C:9]-[c:10]>>[O:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[c:6]:[c:7]:[n:8]:1.[C:9](-[c:10])-[Br:11]	1	43615
+[c:1]:[c:2](-[C:3]):[n:4]>>[c:1]:[c:2](-[C:3]-[O:5]):[n:4]	1	43617
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1)-[O:18]-[n:17]:2:[c:12]:3:[c:11]:[c:10]:[c:9]:[c:14]:[c:13]:3:[n:15]:[n:16]:2.[c:1]-[N:2]	1	43624
+[n:1]:[n:2]:[c:3](-[C:4]):[c:5]>>[C:4]-[B:14]-1-[O:6]-[B:9](-[C:8])-[O:10]-[B:11](-[C:12])-[O:13]-1.[n:1]:[n:2]:[c:3](:[c:5])-[Cl:7]	1	43626
+[n:1]:1:[c:2](-[C:3]):[c:4]:[c:5]:[c:6]:1>>[C:3]-[B:14]-1-[O:13]-[B:11](-[O:10]-[B:9](-[C:8])-[O:15]-1)-[C:12].[n:1]:1:[c:2](:[c:4]:[c:5]:[c:6]:1)-[Br:7]	1	43628
+[c:1]:[c:2](:[n:3]:[c:4](-[C:5]):[c:6]):[c:7]>>[C:5]-[B:14]-1-[O:13]-[B:11](-[O:10]-[B:9](-[C:8])-[O:15]-1)-[C:12].[c:1]:[c:2](:[n:3]:[c:4](:[c:6])-[Cl:16]):[c:7]	1	43630
+[C:1]-[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]-[C:2]-1-[C:3](=[O:4])-[O:5]-[C:7](-[C:6])(-[C:8])-[O:9]-[C:10]-1=[O:11]	1	43632
+[O:1]=[C:2]-[O:3]-[C:4]-[C:5]>>[C:4](-[C:5])-[Cl:6].[O:1]=[C:2]-[O:3]	1	43660
+[C:1]-[C:2]-[N:3](-[c:4])-[c:5]>>[C:1]-[C:2]-[Cl:6].[N:3](-[c:4])-[c:5]	1	43675
+[B:1](-[O:2])(-[O:3])-[c:5](:[c:4]):[c:6]>>[c:4]:[c:5](:[c:6])-[Br:7].[B:1]-1(-[O:2]-[C:18]-[C:15](-[C:14]-[O:3]-1)(-[C:16])-[C:17])-[B:13]-2-[O:12]-[C:11]-[C:9](-[C:8])(-[C:10])-[C:20]-[O:19]-2	1	43701
+[C:1]#[C:2]-[C:3]>>[C:1](=[C:2]-[C:3])(-[Br:4])-[Br:5]	1	43722
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[n:6]:[c:7]:1-[O:8]-[C:9]-[C:10]>>[C:9](-[C:10])-[O:11].[c:1]:[c:2]-1:[c:3](:[c:4])-[O:5]-[N:6]-[C:7]-1=[O:8]	1	43724
+[c:1]:1:[n:2]:[n:3](:[c:4](:[c:5]):[c:6]:1)-[C:9](-[C:8])-[O:10]-[C:11]=[C:7]>>[C:7]=[C:11]-[O:10]-[C:9]-[C:8].[c:1]:1:[n:2]:[n:3]:[c:4](:[c:5]):[c:6]:1	1	43748
+[c:1]-[O:2]-[C:3]-1-[C:4]-[C:5]-[C:6]-[C:7]-[O:8]-1>>[C:3]-1-[C:4]-[C:5]-[C:6]=[C:7]-[O:8]-1.[c:1]-[O:2]	1	43766
+[c:1]:1:[n:2]:[n:3](-[C:4](-[C:5]-[C:6])-[O:7]):[c:8]:[n:9]:1>>[C:4](=[C:5]-[C:6])-[O:7].[c:1]:1:[n:2]:[n:3]:[c:8]:[n:9]:1	1	43775
+[C:1]-[C:2](=[O:3])-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1>>[C:1]-[Mg:10]-[Br:9].[C:2](=[O:3])(-[c:4]:1:[c:5]:[n:6]:[n:7]:[c:8]:1)-[N:13](-[O:12]-[C:11])-[C:14]	1	43776
+[C:1]-[C:2](-[N:3]-[C:4]-[C:5]-[O:6]-[c:7])=[O:8]>>[C:1]-[C:2]-1=[N:3]-[C:4]-[C:5]-[O:8]-1.[O:6]-[c:7]	1	43780
+[O:1]=[C:2](-[O:3])-[N:5](-[C:4])-[C:6]-[c:7]>>[O:1]=[C:2](-[O:3])-[N:5]-[C:4].[C:6](-[c:7])-[Br:8]	1	43782
+[C:1](-[C:2])=[O:3]>>[C:1](-[C:2])#[N:7].[O:3]=[C:5](-[C:4])-[O:6]	1	43799
+[C:1]=[C:2]-[C:3]-[C:4](-[C:5])=[O:6]>>[C:1]=[C:2]-[C:3]-[C:4]-1(-[C:5])-[O:6]-[C:8]-[C:7]-[O:9]-1	1	43807
+[C:1]-[C:2](=[O:3])-[C:4]=[C:5]-[C:6]>>[C:5](-[C:6])=[O:7].[C:1]-[C:2](=[O:3])-[C:4]=[P:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:26]:[c:25]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	1	43809
+[C:1]-[C:2]=[C:3](-[C:4])-[C:5]>>[C:3](-[C:4])(-[C:5])=[O:22].[C:1]-[C:2]-[P+:7](-[c:6]:1:[c:20]:[c:21]:[c:23]:[c:24]:[c:25]:1)(-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3	1	43830
+[C:1]-[C:2](=[C:3]-[c:4])-[C:5]>>[C:1]-[C:2](-[C:5])=[O:15].[C:3](-[c:4])-[P+:20](-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)(-[c:19]:2:[c:13]:[c:14]:[c:16]:[c:17]:[c:18]:2)-[c:21]:3:[c:6]:[c:25]:[c:24]:[c:23]:[c:22]:3	1	43831
+[C:1]-[C:2](=[C:3]-[c:4])-[C:5]>>[C:1]-[C:2](-[C:5])=[O:6].[C:3](-[c:4])-[P+:11](-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:25]:[c:24]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	43835
+[C:1]-[N:2](-[C:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1)-[C:10]>>[C:1]-[N:2]-[C:10].[C:3](-[c:4]:1:[c:8]:[c:7]:[c:6]:[c:5]:[c:9]:1)=[O:11]	1	43859
+[o:1]:[c:2](-[C:3]-[c:4]):[c:5]>>[o:1]:[c:2](-[C:3](-[c:4])=[O:6]):[c:5]	1	43878
+[n:1]:[c:2]:[c:3]-[C:4]=[O:5]>>[n:1]:[c:2]:[c:3]-[C:4]-1-[O:5]-[C:7]-[C:6]-[O:8]-1	1	43880
+[C:1](-[c:2](:[n:3]):[c:4])=[O:5]>>[C:1]-1(-[c:2](:[n:3]):[c:4])-[O:5]-[C:7]-[C:6]-[O:8]-1	1	43882
+[c:1]:1:[n:2]:[c:3]:[c:5](:[c:4]):[n:6]:[c:7]:1-[N:8]-[c:9]>>[N:8]-[c:9].[c:1]:1:[n:2]:[c:3]:[c:5](:[c:4]):[n:6]:[c:7]:1-[Cl:10]	1	43883
+[C:1]-[C:2](-[O:3]-[c:4])-[C:5](=[O:6])-[N:7]>>[C:1]-[C:2](-[C:5](=[O:6])-[N:7])-[Cl:8].[O:3]-[c:4]	1	43890
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+[S:1]-[N:2]-[C:3](=[O:4])-[N:5]>>[S:1]-[N:2].[C:3](=[O:4])(-[N:5])-[O:6]	1	45900
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+[S:1]-[N:2]>>[S:1]-[N:2]=[C:6]-[N:4](-[C:3])-[C:5]	1	45965
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+[c:1]-[S:2](=[O:3])(=[O:4])-[N:5]=[N+:6]=[N-:7]>>[N-:5]=[N+:6]=[N-:7].[c:1]-[S:2](=[O:3])(=[O:4])-[Cl:8]	1	46129
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+[N:1]-[C:2](-[C:3]-[N:4]-[S:5])=[C:6]-[C:7]>>[N:1]-[C:2](-[C:3](-[N:8])-[S:9](=[O:10])(=[O:11])-[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)=[C:6]-[C:7].[N:4](-[S:5])-[C:24]-[C:23]=1-[O:22]-[C:21](-[C:19](=[O:18])-[O:20])=[C:28](-[C:26](-[C:25]=1)=[O:27])-[O:29]-[C:30]-[c:31]:2:[c:32]:[c:33]:[c:34]:[c:35]:[c:36]:2	1	46167
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+[n:1]:1:[c:2]:[c:3](-[c:4](:[c:5]:[n:6]):[c:7]):[c:8]:[c:9]:1>>[n:1]:1:[c:2]:[c:3](:[c:8]:[c:9]:1)-[Br:10].[c:4](:[c:5]:[n:6])(:[c:7])-[B:12](-[O:11])-[O:13]	1	46192
+[N:1]-[C:2](=[O:3])-[C:4]-[N:5](-[C:6])-[C:7](=[O:8])-[N:9]-[c:10]>>[N:1]-[C:2](=[O:3])-[C:4]-[N:5]-[C:6].[C:7](=[O:8])=[N:9]-[c:10]	1	46194
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+[n:1]:[c:2](-[C:3]-1=[N:4]-[C:5]-[C:6]-[S:7]-1):[c:8]>>[n:1]:[c:2](-[C:3](-[N:4]-[C:5]-[C:6]-[S:7]-[C:13]-[c:14]:1:[c:11]:[c:10]:[c:9]:[c:16]:[c:15]:1)=[O:12]):[c:8]	1	46215
+[O:1]-[c:2]:[c:3]:[n:4]>>[O:1](-[c:2]:[c:3]:[n:4])-[S:5](-[C:6])(=[O:7])=[O:8]	1	46221
+[c:1]:[c:2](-[C:3]-1=[N:4]-[C:5]-[C:6]-[O:7]-1):[n:8]>>[c:1]:[c:2](-[C:3](-[N:4]-[C:5]-[C:6]-[O:7])=[O:9]):[n:8]	1	46229
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7]>>[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:8]:[n:9]:1):[c:7])-[S:12](-[C:11])(=[O:13])=[O:14].[c:1]-[N:2]-[C:10]=[O:15]	1	46232
+[c:1]:1:[c:2]:[c:3](-[O:4]-[C:5]):[n:6]:[c:7]:[n:8]:1>>[c:1]:1:[c:2]:[c:3](:[n:6]:[c:7]:[n:8]:1)-[S:10](-[C:9])(=[O:11])=[O:12].[O:4]-[C:5]	1	46238
+[n:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[N:6]-[c:7]):[n:8]>>[n:1]:[c:2](-[S:3](=[O:4])(=[O:5])-[Cl:9]):[n:8].[N:6]-[c:7]	1	46239
+[S:1]-[N:2]-[C:3]-[N:4]>>[S:1]-[N:2]=[C:3]-[N:4]	1	46291
+[N:1]-[S:2].[c:3]-[N:4]>>[N:1](-[S:2])-[C:6](-[N:4]-[c:3])=[O:5]	1	46293
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+[c:1]-[N:2]=[C:3](-[C:4]-1=[C:5](-[O:6])-[C:7]-[C:8]-[N:9](-[C:10])-[C:11]-1=[O:12])-[N:13]-[S:14]>>[c:1]-[N:2]-[C:3](-[C:4]-[C:11](=[O:12])-[O:15])=[N:13]-[S:14].[C:5](-[O:6]-[C:17]-[C:16])(-[C:7]-[C:8]-[N:9]-[C:10])=[O:18]	1	46305
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+[c:1]:1:[n:2]:[n:3]:[c:5](:[c:4]):[c:6]:1-[N+:7](=[O:8])-[O-:9]>>[N+:7](=[O:8])=[O:9].[c:1]:1:[n:2]:[n:3]:[c:5](:[c:4]):[c:6]:1	1	46323
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+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5]-2-[C:6]-[C:7]-2):[c:8]:1>>[C:5]-1(-[C:6]-[C:7]-1)-[B:11](-[O:10])-[O:12].[n:1]:1:[n:2]:[c:3]:[c:4](:[c:8]:1)-[Br:9]	1	46366
+[n:1]:[c:2]:[c:8]:[c:4](:[c:3])-[C:5]-1-[C:6]-[C:7]-1>>[C:5]-1(-[C:6]-[C:7]-1)-[B:11](-[O:10])-[O:12].[n:1]:[c:2]:[c:8]:[c:4](:[c:3])-[Br:9]	1	46375
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+[N:1]-1-[C:2](-[C:3])=[C:4](-[C:5]-2-[C:6]-[C:7]-2)-[C:8](=[O:9])-[N:10]-1>>[C:5]-1(-[C:6]-[C:7]-1)-[B:13](-[O:12])-[O:14].[N:1]-1-[C:2](-[C:3])=[C:4](-[C:8](=[O:9])-[N:10]-1)-[Br:11]	1	46381
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+[c:1]:[c:3]:[c:2]>>[c:1]:[c:3](:[c:2])-[B:5](-[O:4])-[O:6]	1	46398
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+[C:1]=[C:2]-[O:3]>>[C:1](-[C:2]-[O:3])-[Br:4]	1	48442
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+[c:1]:1:[c:2](-[C:3](-[c:4])-[C:10]#[N:9]):[n:5]:[c:6]:[n:7]:[c:8]:1>>[c:1]:1:[c:2](:[n:5]:[c:6]:[n:7]:[c:8]:1)-[Cl:11].[C:3](-[c:4])-[C:10]#[N:9]	1	48567
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+[n:1]:[c:2](-[N:3]-[c:4]:1:[n:5]:[c:6]:2:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:2:[s:12]:1):[c:13]>>[C:4](=[N:5]-[c:6]:1:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:1-[Cl:14])=[S:12].[n:1]:[c:2](-[N:3]):[c:13]	1	48612
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+[O:1]-[C:2](=[O:3])-[C:4](=[N+:5]=[N:6])-[C:7]=[O:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:7]=[O:8].[N+:5](=[N:6])=[N-:9]	1	48668
+[O:1]=[C:2]-1-[C:3](-[I:4])=[C:5]-[C:6](-[C:7])=[C:8]-[N:9]-1-[C:10]-[c:11]>>[C:10](-[c:11])-[Br:12].[O:1]-[c:2]:1:[c:3](-[I:4]):[c:5]:[c:6](-[C:7]):[c:8]:[n:9]:1	1	48680
+[O:1]=[C:2](-[c:3]:1:[c:4]:[c:5](-[O:6]-[C:7]-[c:8]):[n:9]:[n:10]:1-[C:11])-[N:12]>>[C:7](-[c:8])-[Br:13].[O:1]=[C:2](-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:9]-[N:10]-1-[C:11])-[N:12]	1	48683
+[N:1]-[c:2]:1:[c:3](-[c:4](:[n:5]):[n:6]):[c:7](-[O:8]):[n:9]:[c:10]:2:[c:11]:1:[n:12]:[c:13]:[n:14]:2>>[N:1]#[C:2]-[c:11]:1:[c:10](-[N:9]):[n:14]:[c:13]:[n:12]:1.[C:3](-[c:4](:[n:5]):[n:6])-[C:7](=[O:8])-[O:17]-[C:16]-[C:15]	1	48695
+[c:1]-[C:2](=[O:3])-[N:4]-[c:5](:[c:6]:[n:7]):[s:8]>>[N:4]-[c:5](:[c:6]:[n:7]):[s:8].[c:1]-[C:2](=[O:3])-[O:9]	1	48697
+[c:1]:1-[C:2](=[O:3])-[N:4](-[c:5]:2:[c:6]:[n:7]:[n:8]:[c:9]:2)-[C:10]-[c:11]:1>>[c:1](-[C:2](=[O:3])-[O:13]-[C:12]):[c:11]-[C:10]-[Br:14].[N:4]-[c:5]:1:[c:6]:[n:7]:[n:8]:[c:9]:1	1	48711
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+[n:1]:1:[c:2](-[O:3]):[c:4](-[C:5](-[C:6])=[O:12]):[c:7](:[c:8](:[c:9]:1:[c:10]):[c:11])-[O:13]>>[N:1](-[C:2](=[O:3])-[C:4]-[C:5](-[C:6])=[O:12])-[c:9](:[c:8](-[C:7](=[O:13])-[O:15]-[C:14]):[c:11]):[c:10]	1	48734
+[O:1]=[C:2]-[C:3]-[O:4]>>[O:1]=[C:2]-[C:3]-[O:4]-[C:6](-[C:5])=[O:7]	1	48746
+[c:1]-[C:2]-[N:3]-1-[N:4]=[C:5](-[C:6](-[C:7])=[C:8]-[C:9]-1=[O:10])-[Cl:11]>>[n:3]:1:[n:4]:[c:5](:[c:6](-[C:7]):[c:8]:[c:9]:1-[O:10])-[Cl:11].[c:1]-[C:2]-[Br:12]	1	48749
+[c:1]-[C:2]-[N:3]-1-[N:4]=[C:5](-[C:6]=[C:7]-[C:8]-1=[O:9])-[Cl:10]>>[n:3]:1:[n:4]:[c:5](:[c:6]:[c:7]:[c:8]:1-[O:9])-[Cl:10].[c:1]-[C:2]-[Br:11]	1	48754
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[s:9]>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[s:9])-[Cl:10].[c:1]-[N:2]	1	48769
+[c:1]:1:[c:2]:[n:3]:[n:4](-[C:5]-[C:6]):[c:7]:1:[n:8]>>[c:1]:1:[c:2]:[n:3]:[n:4]:[c:7]:1:[n:8].[C:5](-[C:6])-[Cl:9]	1	48770
+[O:1]-[C:2]-1-[C:3](=[O:4])-[N:5](-[C:6])-[C:8]-1(-[c:7])-[c:9]>>[O:1]-[C:2]-[C:3](=[O:4])-[O:10].[N:5](-[C:6])=[C:8](-[c:7])-[c:9]	1	48780
+[c:1](-[c:2]:1:[c:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[n:10]:1):[c:11]:[n:12]>>[c:1](-[C:2]#[C:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[N:10]):[c:11]:[n:12]	1	48790
+[c:1]:1:[c:2]:[n:3]:2:[c:4]:[c:5](-[c:6]):[n:7]:[c:8]:2:[n:9]:[c:10]:1>>[C:4](-[C:5](-[c:6])=[O:11])-[Br:12].[c:1]:1:[c:2]:[n:3]:[c:8](-[N:7]):[n:9]:[c:10]:1	1	48827
+[C:1]-[C:2]-1=[C:3]-[C:4]=[C:5]-[N:6](-[c:7](:[c:8]):[c:9])-[C:10]-1=[O:11]>>[c:7](:[c:8])(:[c:9])-[F:12].[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:[c:10]:1-[O:11]	1	48830
+[c:1]-[N:2]-1-[C:3]-[C:4]-[O:5]-[C:6]-1=[O:7]>>[c:1]-[N:2]-[C:6](-[O:5]-[C:4]-[C:3]-[Cl:8])=[O:7]	1	48834
+[c:1]:[c:2](-[O:3]-[C:4]):[c:5]>>[c:1]:[c:2](:[c:5])-[O:15].[O:3](-[C:4])-[S:10](-[c:9]:1:[c:8]:[c:7]:[c:6](:[c:14]:[c:13]:1)-[N+:17](=[O:16])-[O-:18])(=[O:11])=[O:12]	1	48855
+[N:1]-[C:2](-[C:3](-[C:4](-[C:5])-[O:8])-[c:6])=[S:7]>>[N:1]-[C:2](-[C:3](=[C:4](-[C:5])-[O:8])-[c:6])=[S:7]	1	48896
+[N:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[c:7])-[c:8]>>[N:1]-[C:2](=[O:3])-[C:4]-[c:8].[C:5](=[O:6])(-[c:7])-[O:9]	1	48897
+[n:1]:[c:2](-[C:3]=[C:4]-[C:5](=[O:7])-[O:8]):[c:6]>>[n:1]:[c:2](-[C:3]=[O:26]):[c:6].[C:4](-[C:5](=[O:7])-[O:8])=[P:11](-[c:10]:1:[c:9]:[c:28]:[c:27]:[c:25]:[c:24]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	48926
+[c:1]:1:[c:2]:[n:3](-[S:4](=[O:5])(=[O:6])-[c:7]):[c:8]:[n:9]:1>>[c:1]:1:[c:2]:[n:3]:[c:8]:[n:9]:1.[S:4](=[O:5])(=[O:6])(-[c:7])-[Cl:10]	1	48927
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+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[c:10]:[n:9]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:11].[N:6]-[c:7](:[n:8]):[c:10]:[n:9]	1	48960
+[C:1]-1-[N:2]-[C:3](=[O:4])-[n:5]:2:[c:6]-1:[n:7]:[c:8]:[c:9]:2:[c:10]>>[C:1](-[N:2])-[c:6]:1:[n:5]:[c:9](:[c:8]:[n:7]:1):[c:10].[C:3](=[O:4])(-[n:13]:1:[c:12]:[c:11]:[n:20]:[c:19]:1)-[n:14]:2:[c:15]:[c:16]:[n:17]:[c:18]:2	1	48972
+[c:1](:[c:2](-[C:3]-[N:4]-[c:5]):[n:6]):[n:7]>>[c:1](:[c:2](-[C:3]=[O:8]):[n:6]):[n:7].[N:4]-[c:5]	1	48978
+[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[c:7])-[C:8]-[N+:9]>>[C:6](-[c:7])=[C:8]-[N+:9].[c:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1	1	48981
+[c:1](:[c:2]:[c:3]:[c:4])-[N:5]>>[c:1](:[c:2]:[c:3](:[c:4])-[Cl:8])-[N+:5](=[O:6])-[O-:7]	1	48987
+[O:1]=[C:2](-[c:3]:1:[c:4]:[n:5]:[c:6](-[S:7]-[C:8]-[c:9]):[n:10]:1-[c:11])-[N:12]>>[C:8](-[c:9])-[Br:13].[O:1]=[C:2](-[C:3]-1=[C:4]-[N:5]-[C:6](=[S:7])-[N:10]-1-[c:11])-[N:12]	1	49036
+[c:1]:[c:2](-[n:3]:1:[n:4]:[c:5]:[c:6]:[n:7]:1):[c:8]>>[c:1]:[c:2](:[c:8])-[I:19].[n:3]:1(:[n:4]:[c:5]:[c:6]:[n:7]:1)-[c:13]:2:[c:12]:[c:11]:[c:10](-[C:9]):[c:18]:[c:14]:2-[C:15](=[O:16])-[O:17]	1	49038
+[c:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:2:[c:10]:[c:11]:1>>[N:3]-[c:4]:1:[c:5]:[c:6]:[c:7]:[n:8]:[c:9]:1-[C:10]=[O:13].[c:1]-[C:2](-[C:11])=[O:12]	1	49055
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6]#[N:7]):[c:8](-[N:9]):[c:10]:1:[c:11]>>[c:1]:[c:2](-[N:3]-[C:4]=[C:5](-[C:6]#[N:7])-[C:8](-[N:9])=[O:12]):[c:10]:[c:11]	1	49056
+[N:1]-1(-[C:2]-[c:3]:[c:5](:[n:4])-[C:6]-1)-[C:9]>>[C:2](-[c:3]:[c:5](:[n:4])-[C:6]-[Br:7])-[Br:8].[N:1]-[C:9]	1	49137
+[c:1]:1:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7](:[s:8]):[c:9]:[c:10]:1>>[c:1]:1:[n:2]:[c:3](:[c:7](:[s:8]):[c:9]:[c:10]:1)-[Br:11].[c:4](:[c:5])(:[c:6])-[B:13](-[O:12])-[O:14]	1	49164
+[C:1]-[C:2]=[C:3]-[c:4](:[c:5]:[n:6]):[n:7]>>[C:3](-[c:4](:[c:5]:[n:6]):[n:7])=[O:8].[C:1]-[C:2]-[P+:13](-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:27]:[c:26]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	1	49207
+[c:1]:[c:2](-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[n:7]):[c:9]>>[n:3]:1:[c:4]:[c:5]:[c:6]:[c:8]:1:[n:7].[c:1]:[c:2](:[c:9])-[Br:10]	1	49218
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+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5](-[N:6]-[c:7]:[c:9]:[n:8]):[c:10]:1>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5](:[c:10]:1)-[Cl:11].[N:6]-[c:7]:[c:9]:[n:8]	1	49224
+[c:1]-[C:2](-[N:3])=[O:4]>>[c:1]-[C:2](=[O:4])-[O:8].[n:3]:1:[c:6]:[c:5]:[n:16](:[c:7]:1)-[C:10](=[O:9])-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	1	49243
+[n:1]:[c:2]:[c:3](-[C:4](-[c:5])=[O:8]):[c:6]:[n:7]>>[n:1]:[c:2]:[c:3](-[C:4](-[c:5])-[O:8]):[c:6]:[n:7]	1	49257
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+[c:1]:1:[c:2]:[o:3]:[c:4]:[c:5]:1>>[c:1]:1:[c:2](:[o:3]:[c:4]:[c:5]:1)-[Br:6]	1	49327
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+[c:1](:[s:2]):[c:3]-[N:4]>>[c:1](:[s:2]):[c:3]-[N+:4](=[O:5])-[O-:6]	1	49350
+[C:1]-[c:2]>>[C:1](-[c:2])-[Br:3]	1	49373
+[O:1]=[C:2](-[C:3])-[O:4]>>[O:1]=[C:2](-[C:3])-[O:4]-[C:7]-[C:6]-[C:5]	1	49376
+[O:1]=[C:2]-1-[N:3]-[c:4](:[c:5]-[C:7](=[O:8])-[C:9]-1-[c:10]):[n:6]>>[O:1]=[C:2](-[N:3]-[c:4](:[c:5]-[C:7](=[O:8])-[O:13]-[C:12]-[C:11]):[n:6])-[C:9]-[c:10]	1	49384
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+[N:1]-[N:2]>>[N:1]-[N+:2](=[O:3])-[O-:4]	1	49455
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+[c:1]:1:[c:2]:[c:3]:[c:4]:2:[o:5]:[c:6](-[C:7]):[n:8]:[c:9]:2:[n:10]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](-[O:5]):[c:9](-[N:8]):[n:10]:1.[C:6](-[C:7])(=[O:11])-[O:12]	1	49504
+[c:1]-[N:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]>>[c:1]-[N:2].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[Br:8]	1	49535
+[N:1](-[C:2])-[C:3](=[O:4])-[c:5]>>[N:1]-[C:2].[C:3](=[O:4])(-[c:5])-[O:9]-[C:8](=[O:7])-[c:10]:1:[c:6]:[c:14]:[c:13]:[c:12]:[c:11]:1	1	49555
+[C:1]-[C:2]-1-[C:3]-[C:4]-[C:5](-[C:6](=[O:7])-[O:8])-[C:9]-[N:10]-1>>[C:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[C:6](=[O:7])-[O:8]):[c:9]:[n:10]:1	1	49571
+[C:1]-[C:2]-1=[N:3]-[N:4](-[C:5]-[c:6])-[C:7](=[O:8])-[c:9](:[c:10]):[c:12]-1:[c:11]>>[C:1]-[c:2]:1:[n:3]:[n:4]:[c:7](-[O:8]):[c:9](:[c:10]):[c:12]:1:[c:11].[C:5](-[c:6])-[Br:13]	1	49575
+[n:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:8](:[c:7]):[c:9](-[N:10]-[c:11]):[n:12]:1):[c:13]>>[n:1]:[c:2](-[C:3](-[O:14])=[O:16]):[c:13].[N:10]-[c:11].[N:4]-[c:5](:[c:6]):[c:8](:[c:7])-[C:9](-[N:12])=[O:15]	1	49595
+[c:1]-[C:2]-1=[N:3]-[N:4]-[C:5](=[O:6])-[O:7]-1>>[c:1]-[C:2](-[N:3]-[N:4])=[O:7].[C:5](=[O:6])(-[n:10]:1:[c:9]:[c:8]:[n:17]:[c:16]:1)-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	1	49598
+[C:1]-[c:2]:1:[c:3]:[c:4]:2:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:2:[n:10]:1>>[C:1]-[C:2]#[C:3]-[c:4]:1:[n:5]:[c:6]:[c:7]:[c:8]:[c:9]:1-[N:10]	1	49607
+[O:1]=[C:2]-1-[C:3]=[C:4](-[N:5]-[C:6])-[C:7]=[C:8]-[N:9]-1>>[O:1]=[C:2]-1-[C:3]=[C:4](-[C:7]=[C:8]-[N:9]-1)-[O:10].[N:5]-[C:6]	1	49624
+[c:1]:1:[c:2](:[c:3]:[n:4]):[c:5](-[N:6]-[c:7]):[n:8]:[c:9]:[n:10]:1>>[N:6]-[c:7].[c:1]:1:[c:2](:[c:3]:[n:4]):[c:5](:[n:8]:[c:9]:[n:10]:1)-[S:12]-[C:11]	1	49632
+[O:1]=[P:2](-[c:3])(-[c:4])-[c:5](:[c:6]):[c:7]>>[c:5](:[c:6])(:[c:7])-[Br:8].[O:1]=[P:2](-[c:3])(-[c:4])-[Cl:9]	1	49638
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+[N:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[C:6]):[n:7]:1-[C:8]=[O:9]>>[N:1]-[C:2](-[N:3]-[N:4]-[C:5](-[C:6])=[O:10])=[N:7]-[C:8]=[O:9]	1	49651
+[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[C:6])-[N:12]-[C:13]-1=[N:14].[c:7]:[c:8](-[Br:9]):[c:10]:[c:11]>>[N:1]-1-[C:2](=[O:3])-[C:4]=[C:5](-[C:6])-[N:12]=[C:13]-1-[N:14].[c:7]:[c:8]:[c:10](-[Br:9]):[c:11]	1	49653
+[c:1]-[C:2](-[C:3]-[c:4])(-[c:5])-[O:6]>>[c:1]-[C:2](-[c:5])=[O:6].[C:3]-[c:4]	1	49657
+[C:1](=[O:2])-[N:3]-[N:4]-[C:5](=[O:6])-[c:7](:[n:8]):[c:9]>>[C:5](=[O:6])(-[c:7](:[n:8]):[c:9])-[O:10].[C:1](=[O:2])-[N:3]-[N:4]	1	49662
+[c:1]:[c:4]:1:[c:3](:[c:2]):[c:7](:[c:6]:[o:5]:1)-[C:8]-[C:9](=[O:10])-[O:11]-[C:38]-[C:37]>>[c:1]:[c:4]-1:[c:3](:[c:2])-[C:7](-[C:6]-[O:5]-1)=[O:12].[c:13]:1:[c:14]:[c:15]:[c:38](:[c:16]:[c:17]:1)-[C:37].[C:8](-[C:9](=[O:10])-[O:11])=[P:22](-[c:21]:1:[c:20]:[c:19]:[c:18]:[c:36]:[c:35]:1)(-[c:23]:2:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:2)-[c:29]:3:[c:30]:[c:31]:[c:32]:[c:33]:[c:34]:3	1	49663
+[N:1]-[C:2](-[N:3]-[c:4](:[c:5]):[n:7])=[S:6]>>[N:3]-[c:4](:[c:5]):[n:7].[N:1](=[C:2]=[S:6])-[C:9](=[O:8])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	49666
+[N:1]-[c:2]:1:[n:3]:[c:4]:2:[c:5](:[s:6]:1):[c:7]:[n:8]:[n:9]:2>>[N:1]-[C:2](-[N:3]-[c:4]:1:[c:5]:[c:7]:[n:8]:[n:9]:1)=[S:6]	1	49667
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[N:6]):[c:7](:[c:8]):[c:10](:[c:9]):[n:11]:[n:12]:1>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5]#[N:6])=[N:12]-[N:11]-[c:10](:[c:7]:[c:8]):[c:9]	1	49671
+[C:1](-[C:2]-[N:3])=[O:4]>>[C:1](-[C:2]-[N:3]=[N+:6]=[N-:5])=[O:4]	1	49685
+[N:1]-[C:2]=[C:3](-[C:4](=[O:5])-[c:6])-[C:7](=[O:8])-[O:9]>>[N:1]-[C:2]=[C:3]-[C:7](=[O:8])-[O:9].[C:4](=[O:5])(-[c:6])-[Cl:10]	1	49686
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+[N:1]-[C:2](-[C:3]-[O:4])=[C:5]>>[N:1]-[C:2](-[C:3](=[O:4])-[O:8]-[C:7]-[C:6])=[C:5]	1	49713
+[c:1]:[c:2](-[N:3]=[C:7]):[n:4]:[c:5]:[c:6]>>[c:1]:[c:2](:[n:4]:[c:5]:[c:6])-[Br:8].[N:3]=[C:7]	1	49714
+[c:1]:[c:2](-[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1):[n:8]:[c:9]:[c:10]>>[c:1]:[c:2](:[n:8]:[c:9]:[c:10])-[Br:11].[n:3]:1:[c:4]:[c:5]:[n:6]:[c:7]:1	1	49715
+[c:1]:[c:2](-[N:3](-[C:4])-[C:5]=[O:6]):[c:7]:[n:8]>>[c:1]:[c:2](:[c:7]:[n:8])-[I:9].[N:3](-[C:4])-[C:5]=[O:6]	1	49720
+[C:1]-[N:2]-[C:3](=[O:4])-[c:5](:[c:6]):[o:7]>>[C:3](-[O:4])(-[c:5](:[c:6]):[o:7])=[O:8].[C:1]-[N:2]	1	49723
+[c:1]-[N:2]-[C:3](=[O:4])-[c:5]:[c:6]:[o:7]>>[C:3](=[O:4])(-[c:5]:[c:6]:[o:7])-[O:8].[c:1]-[N:2]	1	49724
+[c:1]-[c:2]:1:[c:3]:[c:4]:2:[c:5](:[c:6]:[c:7]:[s:8]:2):[c:9](:[n:10]:1)-[O:11]>>[C:3]-[c:4]:1:[c:5](:[c:6]:[c:7]:[s:8]:1)-[C:9](-[N:10]-[C:12])=[O:11].[c:1]-[C:2]#[N:13]	1	49728
+[c:1]:1:[c:2]:[c:3](-[C:4]#[N:5]):[c:6]:[c:7]:[n:8]:1>>[C:4](#[N:5])-[c:17]:1:[c:16]:[c:15](-[C:13](-[O:12]-[C:11]-[C:10])=[O:14]):[n:21]:[c:19](:[c:18]:1)-[C:20].[c:1]:1:[c:2]:[c:3](:[c:6]:[c:7]:[n:8]:1)-[Br:9]	1	49755
+[N:1]-[C:2](=[O:3])-[N:4]-[c:5](:[n:6]):[n:7]>>[N:1]-[C:2](=[O:3])-[N:4](-[c:5](:[n:6]):[n:7])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	49787
+[O:1]=[C:2](-[N:3]-[c:4](:[n:5]):[c:6])-[C:7](=[C:8])-[C:9]>>[N:3]-[c:4](:[n:5]):[c:6].[O:1]=[C:2](-[C:7](=[C:8])-[C:9])-[Cl:10]	1	49814
+[c:1]:[c:2](-[c:3]:1:[c:4]:[n:5]:[c:6](:[c:7]):[n:10]:1:[c:9]:[c:8]):[n:11]>>[N:5]-[c:6](:[c:7]):[n:10]:[c:9]:[c:8].[c:1]:[c:2](-[C:3]=[C:4]-[O:16]-[C:15]-[C:14]-[C:13]-[C:12]):[n:11]	1	49823
+[C:1](=[O:2])(-[c:3]:1:[c:4]:[c:5]:2:[c:6](:[n:7]:[c:8]:[n:9]:[c:10]:2):[s:11]:1)-[O:12]>>[C:1](=[O:2])(-[C:3]-[S:11]-[c:6]:1:[c:5](-[C:4]=[O:13]):[c:10]:[n:9]:[c:8]:[n:7]:1)-[O:12]	1	49833
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:5](-[O:4]-[C:3])-[C:6]	1	49841
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+[n:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:[c:8]:1-[N:9](-[C:10])-[C:11]>>[N:9](-[C:10])-[C:11].[n:1]:[c:2]:1:[c:3](:[n:4]):[c:5]:[c:6]:[n:7]:[c:8]:1-[Cl:12]	1	49859
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+[N:1]-[C:2]=[C:3](-[C:4](=[O:5])-[N:6]-[c:7](:[n:8]):[n:9])-[C:10]=[O:11]>>[N:1]-[C:2]=[C:3](-[C:4](=[O:5])-[O:12])-[C:10]=[O:11].[N:6]-[c:7](:[n:8]):[n:9]	1	49893
+[C:1](=[O:2])-[C:3](-[C:4]#[N:5])=[C:6]-[N:7]>>[C:1](=[O:2])-[C:3](-[C:4](-[N:5])=[O:8])=[C:6]-[N:7]	1	49895
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+[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1-[c:7]:2:[n:8]:[c:9]:[c:10]:[n:11]:[c:12]:2>>[c:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[n:6]:1.[c:7]:1(:[n:8]:[c:9]:[c:10]:[n:11]:[c:12]:1)-[Cl:13]	1	49912
+[c:1](-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8]):[c:9]:[n:10]>>[n:3]:1:[c:4]:[n:5]:[c:6]:[c:7]:1:[c:8].[c:1](-[C:2]-[Br:11]):[c:9]:[n:10]	1	49915
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8]):[c:10]>>[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[n:9]:1):[c:8].[c:1]:[c:2](:[c:10])-[Br:11]	1	49916
+[O:1]=[C:2](-[C:3]-[N:4](-[C:5]-[C:6]=[C:7])-[C:8])-[N:9]>>[O:1]=[C:2](-[C:3]-[Cl:10])-[N:9].[N:4](-[C:5]-[C:6]=[C:7])-[C:8]	1	49918
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+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6](:[n:7]):[c:8]):[s:9]:1>>[C:1]-[C:2](-[N:3]-[N:4]-[C:5](-[c:6](:[n:7]):[c:8])=[O:32])=[O:31].[S:9]=[P:19]-1(-[S:18]-[P:16](-[c:15]:2:[c:14]:[c:13]:[c:12](-[O:11]-[C:10]):[c:30]:[c:29]:2)(=[S:17])-[S:28]-1)-[c:20]:3:[c:21]:[c:22]:[c:23](-[O:24]-[C:25]):[c:26]:[c:27]:3	1	49923
+[c:1](:[c:2]-[C:3]-[c:4]:[c:5]:[n:6]):[n:7]>>[c:1](:[c:2]-[C:3](-[c:4]:[c:5]:[n:6])-[O:8]):[n:7]	1	49946
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:7](=[O:8])-[c:9]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1.[C:7](=[O:8])(-[c:9])-[Cl:10]	1	49949
+[N:1]-1-[C:2](-[C:3]-[C:4]-[c:5]:[c:6]-1)=[O:7]>>[N:1]-[c:6]:[c:5]-[C:4]=[C:3]-[C:2](=[O:7])-[O:10]-[C:9]-[C:8]	1	49965
+[c:1]:[c:2](:[n:3]:[c:4]:[c:5]):[c:6]>>[c:1]:[c:2](:[n:3]:[c:4](:[c:5])-[Cl:7]):[c:6]	1	49996
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+[c:1]:1:[c:2]:[n:3](:[n:4]:[c:5]:1:[c:6])-[C:8]-[c:7]>>[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1:[c:6].[c:7]-[C:8]-[Cl:9]	1	50013
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+[c:1](:[c:2]:[n:3]):[c:4]>>[c:1](:[c:2]:[n:3])(:[c:4])-[F:5]	1	50119
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+[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1>>[n:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:8]-[O:7]	1	50122
+[c:1]:1:[n:2]:[c:3]:[n:4]:[c:5]:[c:6]:1>>[c:1]:1:[n:2]:[c:3](:[n:4]:[c:5]:[c:6]:1)-[S:7]	1	50128
+[n:1]:[c:2](-[C:3]-[N:4]):[n:5]>>[n:1]:[c:2](-[C:3]#[N:4]):[n:5]	1	50132
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+[C:1]-[C:2](-[C:3](=[C:4])-[O:5])-[n:6]:1:[n:7]:[c:8]:[c:9]:[c:11]:1:[n:10]>>[n:6]:1:[n:7]:[c:8]:[c:9]:[c:11]:1:[n:10].[C:1]-[C:2](-[C:3](=[C:4])-[O:5])-[Br:12]	1	50141
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+[N:1]-1-[C:2](-[C:3]-[C:4](-[c:5]:2:[c:6]:[n:7]:[c:8]:[c:9]:2)-[C:10]-1=[O:12])=[O:11]>>[c:5]:1:[c:6]:[n:7]:[c:8]:[c:9]:1.[N:1]-1-[C:2](-[C:3]=[C:4]-[C:10]-1=[O:12])=[O:11]	1	50173
+[N:1]#[C:2]-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:8](:[c:7]):[c:9]:[c:10]:1>>[N-:1]=[C:2]=[C:3]-1-[N+:4](-[c:5](:[c:6]):[c:8](:[c:7])-[C:9]=[C:10]-1)=[O:11]	1	50181
+[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1-[C:7](=[O:8])-[N:9]-[c:10]>>[c:1]:[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:1.[C:7](=[O:8])=[N:9]-[c:10]	1	50206
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+[c:1]:[c:2]:1:[c:3]:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[c:9](-[N:10]-[c:11]):[n:12]:1>>[N:10]-[c:11].[c:1]:[c:2]:1:[c:3]:[c:4]:2:[c:5]:[n:6](:[n:7]:[c:8]:2:[c:9](:[n:12]:1)-[Cl:20])-[C:19]-[c:18]:3:[c:17]:[c:16]:[c:15](-[O:14]-[C:13]):[c:22]:[c:21]:3	1	50213
+[O:1]-[C:2](-[c:3](:[c:4]):[c:6]:[n:5])(-[C:7])-[C:8]>>[O:1]=[C:2](-[C:7])-[C:8].[c:3](:[c:4]):[c:6]:[n:5]	1	50241
+[C:1]-[N:2]-[C:3]-[c:4]:[c:5]:[n:6]>>[C:3](-[c:4]:[c:5]:[n:6])=[O:18].[C:1]-[n:2]:1:[c:9](:[c:8](-[C:7]):[c:17]:2:[c:12]:1:[c:13]:[c:14]:[c:15]:[c:16]:2)-[C:10]=[O:11]	1	50252
+[c:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[s:9]>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7]:[c:8]:1:[s:9])-[Cl:10].[c:1]-[O:2]	1	50257
+[n:1]:[c:2](:[c:3])-[C:5](-[C:4])=[C:6]-[c:7]>>[n:1]:[c:2](:[c:3])-[C:5]-[C:4].[C:6](-[c:7])=[O:8]	1	50271
+[C:1](-[c:2](:[c:3]):[s:4])-[O:5]>>[C:1](-[c:2](:[c:3]):[s:4])(=[O:5])-[O:7]-[C:6]	1	50282
+[C:1]-[C:2]-[N:3]>>[C:1]-[C:2]=[N:3]-[O:4]	1	50284
+[C:1]-[c:2]:1:[c:3]:[n:4]:[n:5]:[n:6]:1-[c:7]>>[C:1]-[C:2]#[C:3].[N-:4]=[N+:5]=[N:6]-[c:7]	1	50286
+[C:1]-[N:2](-[C:3])-[C:4]=[O:5]>>[C:1]-[N:2]-[C:3].[C:4](-[O:5]-[c:12]:1:[c:11]:[c:10]:[c:9](-[N+:7](=[O:6])-[O-:8]):[c:15]:[c:14]:1)=[O:13]	1	50298
+[O:1]-[C:2](=[O:3])-[C:4](=[O:5])-[c:6](:[c:7]:[n:8]):[c:10]:[n:9]>>[O:1]-[C:2](=[O:3])-[C:4](-[O:5])-[c:6](:[c:7]:[n:8]):[c:10]:[n:9]	1	50313
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5])-[c:6](:[c:7]:[n:8]):[c:10]:[n:9]>>[O:1]-[C:2](=[O:3])-[C:4](=[O:5])-[c:6](:[c:7]:[n:8]):[c:10]:[n:9]	1	50314
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[Br:9].[c:1]:[c:2](:[c:6])-[Mg:8]-[Br:7]	1	50348
+[c:1](:[n:2]:[c:3](-[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:1):[c:9]):[c:10]>>[n:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:1.[c:1](:[n:2]:[c:3](:[c:9])-[Br:11]):[c:10]	1	50351
+[C:1](=[O:2])-[C:3]-[C:4](-[c:5])=[O:6]>>[C:1](=[O:2])-[C:3].[C:4](-[c:5])(=[O:6])-[O:9]-[C:8]-[C:7]	1	50368
+[C:1]-[C:2]-[c:3](:[c:4]:[n:5]):[n:6]>>[C:1]#[C:2]-[c:3](:[c:4]:[n:5]):[n:6]	1	50382
+[C:1]=[C:2](-[N:3])-[C:4](=[O:5])-[N:6]>>[N:3](=[N+:20]=[N-:19])-[P:21](-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)(=[O:22])-[c:23]:2:[c:9]:[c:8]:[c:7]:[c:25]:[c:24]:2.[C:1]=[C:2](-[C:4](=[O:5])-[N:6])-[C:17](=[O:16])-[O:18]	1	50402
+[O:1]-[P:2](=[O:3])(-[C:4](=[O:5])-[c:6])-[c:7]>>[C:4](=[O:5])(-[c:6])-[Cl:10].[O:1]-[P:2](-[O:3]-[C:9]-[C:8])-[c:7]	1	50420
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+[c:1]-[c:2]:1:[n:3]:[n:4]:[c:5](-[c:6]):[o:7]:1>>[N:3]-[N:4]-[C:5](-[c:6])=[O:7].[c:1]-[C:2](=[O:8])-[O:9]	1	50429
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:2:[c:6]:1:[n:7]:[c:8](-[c:9]):[n:10]:[c:11]:2-[O:12]>>[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[c:6]:1-[N:7]-[C:8](-[c:9])=[O:13])-[C:11](-[N:10])=[O:12]	1	50479
+[c:1]:[c:3]:1:[c:2]:[n:9]:[c:8]:[c:5](:[n:4]:1)-[N:6]-[C:7]>>[c:1]:[c:3]:1:[c:2]:[n:9]:[c:8]:[c:5](:[n:4]:1)-[Br:10].[N:6]-[C:7]	1	50496
+[c:1]:1:[c:2](-[c:3](:[c:4]):[c:5]):[n:6](:[c:7]:[c:8]):[c:10](:[c:9]):[c:11]:1>>[c:1]:1:[c:2]:[n:6](:[c:7]:[c:8]):[c:10](:[c:9]):[c:11]:1.[c:3](:[c:4])(:[c:5])-[I:12]	1	50498
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[n:6]:[c:7](-[c:8]):[o:9]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[N:5]-[N:6]-[C:7](-[c:8])=[O:9])=[O:10]	1	50529
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+[N:1]-[C:10](-[N:7](-[n:6]:1:[c:2]:[c:3]:[c:4]:[c:5]:1)-[C:8]-[c:9])=[O:11]>>[N:1]-[C:10](-[N:7]-[n:6]:1:[c:2]:[c:3]:[c:4]:[c:5]:1)=[O:11].[C:8](-[c:9])-[Cl:12]	1	50586
+[N:1]-[c:2]>>[n:1]:1(-[c:2]):[c:4](-[C:3]):[c:5]:[c:6]:[c:7]:1-[C:8]	1	50589
+[N:1]-[C:2](-[C:3]-[C:4]=[O:5])=[N:6]-[c:7]>>[N:6]-[c:7].[N:1]=[C:2](-[C:3]-[C:4]=[O:5])-[S:15]-[c:14]:1:[c:8]:[c:9]:[c:11](-[Cl:10]):[c:12]:[c:13]:1	1	50591
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[O:7])-[c:8]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](=[O:7])-[c:8]	1	50603
+[O:1]-[C:2](-[c:3]:1:[c:4](-[C:5]):[n:6](-[c:7]):[n:8]:[n:9]:1)=[O:10]>>[O:1]-[C:2](-[C:3]-[C:4](-[C:5])=[O:11])=[O:10].[N:6](-[c:7])=[N+:8]=[N-:9]	1	50606
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[C:6]#[N:7]):[c:8]:[c:9]:1>>[C:1]-[C:2]-1=[C:3]-[N+:4](-[C:5](=[C:6]=[N-:7])-[C:8]=[C:9]-1)=[O:10]	1	50608
+[c:1]:[c:2](-[c:3](:[c:4]):[c:5]):[c:6]>>[c:3](:[c:4])(:[c:5])-[I:7].[c:1]:[c:2](:[c:6])-[O:11]-[B:9](-[O:8])-[O:10]	1	50625
+[n:1]:[c:8](:[c:2]):[c:4](:[c:3])-[c:5](:[c:6]):[c:7]>>[n:1]:[c:8](:[c:2]):[c:4](:[c:3])-[I:9].[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12]	1	50628
+[N:1]-[C:2]=[C:3](-[N:4])-[C:5]=[C:6]>>[N:1]-[C:2]=[C:3](-[N+:4](=[O:7])-[O-:8])-[C:5]=[C:6]	1	50635
+[C:1]=[C:2]-[C:3](-[N:4])=[C:5](-[O:6])-[N:7]>>[C:1]=[C:2]-[C:3](-[N+:4](=[O:8])-[O-:9])=[C:5](-[O:6])-[N:7]	1	50642
+[C:1]=[C:2]-[C:3](-[N:4])=[C:5](-[S:6])-[N:7]>>[C:1]=[C:2]-[C:3](-[N+:4](=[O:8])-[O-:9])=[C:5](-[S:6])-[N:7]	1	50643
+[C:1]=[C:2]-[C:3](-[N:4]-[S:5](=[O:6])(=[O:7])-[C:8])=[C:9](-[S:10])-[N:11]>>[C:1]=[C:2]-[C:3](-[N:4])=[C:9](-[S:10])-[N:11].[S:5](=[O:6])(=[O:7])(-[C:8])-[Cl:12]	1	50644
+[c:1]-[N:2]-[c:3](:[c:4]):[c:6]:[n:5]>>[c:3](:[c:4])(:[c:6]:[n:5])-[Cl:7].[c:1]-[N:2]	1	50677
+[c:1]:1:[c:2]:[c:3]:[c:4](-[N:5]-[c:6]:2:[n:7]:[c:8]:[n:9]:[c:10]:[c:11]:2):[c:12]:[c:13]:1>>[c:6]:1(:[n:7]:[c:8]:[n:9]:[c:10]:[c:11]:1)-[Cl:14].[c:1]:1:[c:2]:[c:3]:[c:12]:[c:4](-[N:5]):[c:13]:1	1	50682
+[c:1]-1:[c:2]-[N:3]-[C:4](=[O:5])-[N:6]-1-[c:7]>>[c:1](:[c:2]-[N:3])-[N:6]-[c:7].[C:4](=[O:5])(-[n:16]:1:[c:12]:[n:13]:[c:14]:[c:15]:1)-[n:17]:2:[c:8]:[c:9]:[n:10]:[c:11]:2	1	50693
+[C:1]-[C:2]=[C:3](-[C:4]-[O:5]-[c:6])-[C:7]>>[O:5]-[c:6].[C:1]-[C:2]=[C:3](-[C:4]-[Cl:8])-[C:7]	1	50698
+[c:1](:[n:2]:[c:3](-[c:4](:[c:5]):[c:6]):[c:7]):[c:8]>>[c:4](:[c:5])(:[c:6])-[O:13]-[B:11](-[O:10])-[O:12].[c:1](:[n:2]:[c:3](:[c:7])-[Br:9]):[c:8]	1	50716
+[c:1]-[c:2]:1:[c:3](-[C:4]):[c:5]:[c:6]:[c:7](-[C:8]#[N:9]):[n:10]:1>>[c:1]-[C:2]-1=[C:3](-[C:4])-[C:5]=[C:6]-[C:7](=[C:8]=[N-:9])-[N+:10]-1=[O:11]	1	50723
+[n:1]:1:[c:2](:[c:3]):[c:4]:[c:5]:[c:6]:1-[c:7](:[c:8]):[c:9]>>[c:7](:[c:8])(:[c:9])-[I:10].[n:1]:1:[c:2](:[c:3]):[c:4]:[c:5]:[c:6]:1	1	50747
+[n:1]:1:[c:2](:[c:3]):[c:4]:[c:5]:[c:6]:1-[C:7]#[C:8]>>[C:7]#[C:8].[n:1]:1:[c:2](:[c:3]):[c:4]:[c:5]:[c:6]:1-[I:9]	1	50754
+[C:1]-[C:2]=[C:3](-[O:4])-[C:5](=[O:6])-[N:7]-[c:8]>>[N:7]-[c:8].[C:1]-[C:2]=[C:3](-[O:4])-[C:5](=[O:6])-[O:9]	1	50769
+[c:1]-[N:2]-[C:3](=[O:4])-[N:5]-[C:7](-[N:6])=[O:8]>>[C:3](=[O:4])(-[N:5]-[C:7](-[N:6])=[O:8])-[Cl:9].[c:1]-[N:2]	1	50783
+[C:1]=[C:2]-[C:3]-[S:4]-[c:5]>>[C:1]=[C:2]-[C:3]-[Cl:6].[S:4]-[c:5]	1	50799
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+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[c:6]):[n:7]:[c:8](-[c:9]:2:[c:10]:[n:11]:[n:12]:[c:13]:2):[s:14]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[c:6])=[O:15])-[Cl:16].[N:7]-[C:8](-[c:9]:1:[c:10]:[n:11]:[n:12]:[c:13]:1)=[S:14]	1	50826
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+[c:1]-[C:2]-[N:3]=[N+:5]=[N-:4]>>[N:3](=[N+:5]=[N-:4])-[P:7](=[O:6])(-[O:8]-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[O:15]-[c:16]:2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2.[c:1]-[C:2]-[O:22]	1	50867
+[c:1]-[C:2]-[c:3](:[n:4]:[c:5]:[c:6]):[c:7]>>[c:1]-[C:2]-[Br:8].[c:3](:[n:4]:[c:5]:[c:6])(:[c:7])-[Br:9]	1	50871
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+[O:1]=[C:2](-[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1)-[c:8]>>[O:1]=[C:2](-[c:8])-[Cl:9].[c:3]:1:[c:4]:[c:5]:[c:6]:[s:7]:1	1	50971
+[c:1]-[c:2]:1:[n:3]:[c:4](:[c:5](:[c:6]):[n:8]:1):[c:7]>>[c:1]-[C:2](-[N:8]-[c:4](:[c:5](-[N:3]):[c:6]):[c:7])=[O:9]	1	50972
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+[C:1]-[N:2](-[C:3]-[c:4])-[C:5]=[O:6]>>[C:1]-[N:2]-[C:5]=[O:6].[C:3](-[c:4])-[O:7]	1	51009
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+[c:1]:[c:3](:[n:2])-[N:4]-[C:5](=[O:6])-[c:7]>>[C:5](=[O:6])(-[c:7])-[O:10]-[C:9](=[O:8])-[c:11]:1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1.[c:1]:[c:3](:[n:2])-[N:4]	1	51129
+[c:1]:[c:2]-1:[c:3](:[c:4])-[N:5](-[C:6]-[c:7])-[C:8](=[O:9])-[c:10](:[c:11]):[c:13]-1:[c:12]>>[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:8](-[O:9]):[c:10](:[c:11]):[c:13]:1:[c:12].[C:6](-[c:7])-[Br:14]	1	51139
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+[c:1]-[c:2]:1:[c:3]:[n:4]:2:[c:5](:[n:6]:1):[s:7]:[c:8](:[c:9]:2:[c:10]):[c:11]>>[n:4]:1:[c:5](-[N:6]):[s:7]:[c:8](:[c:9]:1:[c:10]):[c:11].[c:1]-[C:2](-[C:3]-[Br:13])=[O:12]	1	51213
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+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[c:6](:[n:7]:[c:8](:[c:9]):[c:10]):[c:11]):[n:12]:1:[c:13]:[c:14]>>[c:6](:[n:7]:[c:8](:[c:9]):[c:10])(:[c:11])-[Cl:15].[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5]:[n:12]:1:[c:13]:[c:14]	1	51440
+[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:[c:7]:1-[O:8]-[c:9]>>[O:8]-[c:9].[n:1]:[c:2]:1:[c:3]:[n:4]:[c:5]:[c:6]:[c:7]:1-[Cl:10]	1	51448
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+[C:1](-[C:2]-[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1)=[O:8]>>[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:1.[C:1](-[C:2]-[Br:9])=[O:8]	1	51493
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+[C:1]-[C:2](-[C:3](-[N:4])=[O:7])-[O:6]-[C:5]>>[C:1]-[C:2](-[C:3](-[N:4])=[O:7])-[Cl:8].[C:5]-[O:6]	1	52287
+[C:1]-[C:2](=[C:3](-[C:4]=[O:5])-[N:6])-[C:7]>>[C:1]-[C:2](=[C:3](-[C:4](-[O:5]-[C:12]-[C:8])-[O:11]-[C:10]-[C:9])-[N:6])-[C:7]	1	52301
+[C:1]-[C:2](=[C:3](-[C:4]-[O:5])-[N:6])-[C:7]>>[C:1]-[C:2](=[C:3](-[C:4]=[O:5])-[N:6])-[C:7]	1	52302
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+[N:1]-[C:2]-[C:3]-[C:4]-[O:5]>>[N:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:7]-[C:6])=[O:8]	1	52322
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+[N:1]-[C:2]-[C:3]-[C:4]-[C:5]-[N:6]>>[N:1]-[C:2](-[C:3]-[C:4]-[C:5](-[N:6])=[O:8])=[O:7]	1	52348
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+[C:1]-[C:2](-[N:3]=[N+:16]=[N-:15])-[C:4](=[C:5]-[C:6])-[C:7]>>[C:1]-[C:2](-[C:4](=[C:5]-[C:6])-[C:7])-[O:14].[N:3](=[N+:16]=[N-:15])-[P:18](-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)(=[O:17])-[c:19]:2:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:2	1	52443
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+[n:1]:[c:2]:[c:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1>>[n:1]:[c:2]:[c:3]:1:[c:4]:[c:5]:[c:6]:[n:7]:1-[C:14]-[O:13]-[C:12]-[c:11]:2:[c:10]:[c:9]:[c:8]:[c:16]:[c:15]:2	1	52635
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+[O:1]-[C:2]-[C:3](=[C:4])-[C:5]>>[O:1]=[C:2](-[C:3](=[C:4])-[C:5])-[O:7]-[C:6]	1	52689
+[O:1]=[C:2](-[C:3](=[C:4]-[c:5])-[C:6])-[O:7]>>[O:1]=[C:2](-[C:3](-[C:4](-[c:5])-[O:8])-[C:6])-[O:7]	1	52690
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+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:2:[c:6]:1:[n:7]:[c:8](:[c:9]):[c:11]:2:[c:10]>>[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5]:[c:6]:1-[N:7]-[c:8](:[c:9]):[c:11](:[c:10])-[Cl:12]	1	52745
+[c:1]-[N:2](-[C:3](=[O:4])-[C:5]=[C:6])-[c:7]>>[c:1]-[N:2]-[c:7].[C:3](=[O:4])(-[C:5]=[C:6])-[O:10]-[C:9]-[C:8]	1	52780
+[N:1]-[C:2](=[O:3])-[N:4](-[C:5]-[C:6])-[C:7]=[O:8]>>[C:5](-[C:6])-[O:9].[N:1]-[C:2](=[O:3])-[N:4]-[C:7]=[O:8]	1	52798
+[C:1]-[C:2]-[C:3](-[c:4])-[c:5](:[c:6]:[n:7]):[n:8]>>[C:1]-[C:2]=[C:3](-[c:4])-[c:5](:[c:6]:[n:7]):[n:8]	1	52800
+[C:1]-[C:2]>>[C:1](-[C:2])-[Br:3]	1	52806
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+[O:1]=[C:2](-[N:3]-[c:4])-[N:5]-[c:6](:[c:7]:[n:8]):[c:10]:[n:9]>>[O:1]=[C:2](-[c:6](:[c:7]:[n:8]):[c:10]:[n:9])-[O:11].[N:5](=[N+:13]=[N-:12])-[P:14](=[O:15])(-[c:16]:1:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:1)-[c:22]:2:[c:23]:[c:24]:[c:25]:[c:26]:[c:27]:2.[N:3]-[c:4]	1	52830
+[c:1]-[N:2]-[c:3]:1:[n:4]:[c:5](:[c:6]:[c:8]:[c:10]:1:[n:9]):[c:7]>>[c:3]:1(:[n:4]:[c:5](:[c:6]:[c:8]:[c:10]:1:[n:9]):[c:7])-[Cl:11].[c:1]-[N:2]	1	52835
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+[n:1]:[c:3](:[n:2]):[c:4]-[N:5]-[c:6]>>[n:1]:[c:3](:[n:2]):[c:4]-[N:5](-[c:6])-[C:13]-[c:12]:1:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:15]:[c:14]:1	1	52860
+[c:1]:1:[c:2](:[c:3]):[n:4]:[c:5](:[c:6]):[c:7]:1>>[c:1]:1:[c:2](:[c:3]):[n:4](:[c:5](:[c:6]):[c:7]:1)-[C:9](-[C:8])=[O:10]	1	52863
+[O:1]=[C:2](-[N:3]-[c:4])-[N:5]-[c:6]>>[N+:5](-[c:6])(=[O:7])-[O-:8].[O:1]=[C:2]=[N:3]-[c:4]	1	52885
+[C:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[n:6]:[c:7](:[c:8]):[c:10]:1:[c:9]>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[N:6]-[c:7](:[c:8]):[c:10]:[c:9])=[O:11]	1	52892
+[O:1]=[C:2]-1-[C:3]-[C:4]-[C:5]-[N:6]-1-[c:7]>>[O:1]=[C:2](-[C:3]-[C:4]-[C:5]-[O:8])-[N:6]-[c:7]	1	52893
+[n:1]:1:[n:2]:[c:3]:[c:4](-[c:5](:[c:6]):[c:7]):[c:8]:1>>[c:5](:[c:6])(:[c:7])-[B:11](-[O:10])-[O:12].[n:1]:1:[n:2]:[c:3]:[c:4](:[c:8]:1)-[I:9]	1	52894
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+[c:1]-[C:2]-1=[N:3]-[N:4](-[c:5])-[C:6](-[C:7]-1)=[O:8]>>[N:3]-[N:4]-[c:5].[c:1]-[C:2](-[C:7]-[C:6](=[O:8])-[O:11]-[C:10]-[C:9])=[O:12]	1	52903
+[c:1]:[c:2]:[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1>>[c:1]:[c:2](:[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)-[F:8]	1	52907
+[S:1]-[c:2]>>[S:1](-[c:2])-[C:3]	1	52912
+[c:1]:[c:6]:1:[c:2]:[c:3]:[n:4]:[n:5]:1>>[c:1]:[c:6]:1:[c:2]:[c:3]:[n:4](:[n:5]:1)-[C:13]-[c:12]:2:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:15]:[c:14]:2	1	52916
+[C:1]-[C:7](-[N:5](-[c:3](:[c:2]):[n:4])-[C:6])=[O:8]>>[C:1]-[C:7](=[O:8])-[O:10]-[C:9].[c:2]:[c:3](:[n:4])-[N:5]-[C:6]	1	52918
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[C:5](=[O:4])-[O:6]-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	52944
+[N:1]#[C:2]-[N:3]=[C:4](-[N:5]-[c:6]:[c:8]:[n:7])-[N:9]-[C:10]>>[N:9]-[C:10].[N:1]#[C:2]-[N:3]-[C:4](=[N:5]-[c:6]:[c:8]:[n:7])-[O:15]-[c:14]:1:[c:13]:[c:12]:[c:11]:[c:17]:[c:16]:1	1	52945
+[c:1]-[O:2]>>[c:1]-[O:2]-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:8]:[c:7]:1	1	52972
+[N:1]-[C:2]-[c:3](:[c:4]):[s:5]>>[N:1]#[C:2]-[c:3](:[c:4]):[s:5]	1	52989
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+[C:1]-[C:2]-[N:3]>>[N:3](=[N+:20]=[N-:19])-[P:21](-[c:4]:1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1)(-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2)=[O:22].[C:1]-[C:2]-[C:17](=[O:16])-[O:18]	1	52993
+[c:1]-[C:2]-1=[N:3]-[N:4](-[N:5])-[C:6](=[O:7])-[c:8](:[c:9]):[c:11]-1:[c:10]>>[N:5]-[O:18]-[P:17](=[O:16])(-[c:19]:1:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:1)-[c:25]:2:[c:15]:[c:14]:[c:13]:[c:12]:[c:26]:2.[c:1]-[c:2]:1:[n:3]:[n:4]:[c:6](-[O:7]):[c:8](:[c:9]):[c:11]:1:[c:10]	1	52997
+[C:1]-[C:2]-[Br:3]>>[C:1]-[C:2]-[O:24].[Br:3]-[P:5](-[Br:4])(-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3	1	52999
+[O:1]-[C:2](=[O:3])-[C:4]=[C:5]-[c:6](:[n:7]):[c:8]>>[C:5](-[c:6](:[n:7]):[c:8])=[O:9].[O:1]-[C:2](=[O:3])-[C:4]=[P:14](-[c:13]:1:[c:12]:[c:11]:[c:10]:[c:28]:[c:27]:1)(-[c:15]:2:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:2)-[c:21]:3:[c:22]:[c:23]:[c:24]:[c:25]:[c:26]:3	1	53003
+[N:1]-[C:2]-[C:3](=[C:4]-[C:5])-[N:6]>>[N:1]-[C:2](-[C:3](=[C:4]-[C:5])-[N:6])-[S:8](=[O:7])(=[O:9])-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1	1	53012
+[C:1](=[C:2]-[C:3])(-[c:4](:[c:5]):[n:6])-[O:15]-[S:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[C:7]):[c:17]:[c:16]:1)(=[O:13])=[O:14]>>[C:1](-[C:2]-[C:3])(-[c:4](:[c:5]):[n:6])=[O:15].[C:7]-[c:8]:1:[c:9]:[c:10]:[c:11](-[S:12](=[O:13])(=[O:14])-[O:26]-[S:23](-[c:22]:2:[c:21]:[c:20]:[c:19](-[C:18]):[c:28]:[c:27]:2)(=[O:24])=[O:25]):[c:16]:[c:17]:1	1	53034
+[O:1]=[C:2]-1-[C:3]-[C:4]-[N:5]-1-[C:6](=[O:7])-[N:8]-[C:9]>>[O:1]=[C:2]-1-[C:3]-[C:4]-[N:5]-1.[C:6](=[O:7])=[N:8]-[C:9]	1	53045
+[C:1]-[C:2]=[C:3]-[c:4](:[c:5]):[s:6]>>[C:3](-[c:4](:[c:5]):[s:6])=[O:7].[C:1]-[C:2]-[P+:12](-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:26]:[c:25]:1)(-[c:13]:2:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:2)-[c:19]:3:[c:20]:[c:21]:[c:22]:[c:23]:[c:24]:3	1	53050
+[C:1]-[C:2]=[C:3]-[c:4]:[c:5]:[n:6]>>[C:3](-[c:4]:[c:5]:[n:6])=[O:18].[C:1]-[C:2]-[P+:23](-[c:10]:1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)(-[c:22]:2:[c:16]:[c:17]:[c:19]:[c:20]:[c:21]:2)-[c:24]:3:[c:9]:[c:8]:[c:7]:[c:26]:[c:25]:3	1	53051
+[n:1]:[c:2](-[C:3]=[C:4]-[c:5](:[n:6]):[n:7]):[n:8]>>[n:1]:[c:2](-[C:3]-[P+:10](-[c:9]:1:[c:23]:[c:24]:[c:26]:[c:27]:[c:28]:1)(-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2)-[c:17]:3:[c:18]:[c:19]:[c:20]:[c:21]:[c:22]:3):[n:8].[C:4](-[c:5](:[n:6]):[n:7])=[O:25]	1	53055
+[C:1]-[O:2]>>[C:1]-[O:2]-[Si:15](-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)(-[C:12](-[C:11])(-[C:13])-[C:14])-[c:16]:2:[c:4]:[c:3]:[c:19]:[c:18]:[c:17]:2	1	53068
+[C:1]-[O:3]>>[C:1]-[O:3]-[Si:8](-[C:5](-[C:4])(-[C:6])-[C:7])(-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[c:15]:2:[c:2]:[c:19]:[c:18]:[c:17]:[c:16]:2	1	53071
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5](-[C:6](=[O:7])-[O:10]):[n:8]:[o:9]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[C:5](-[C:6](=[O:7])-[O:10])=[N:8]-[O:9])-[F:11]	1	53089
+[c:1]:1:[c:2]:[o:3]:[c:4]:[n:5]:1>>[c:1]:1:[c:2]:[o:3]:[c:4]:[n+:5]:1-[O-:6]	1	53091
+[O:1]-[C:2]-1=[C:3](-[C:4]-[c:5])-[C:6](=[O:7])-[N:8]-[C:9]=[C:10]-1>>[C:4](-[c:5])-[Br:11].[O:1]-[C:2]-1=[C:3]-[C:6](=[O:7])-[N:8]-[C:9]=[C:10]-1	1	53098
+[C:1]-[C:2]-1=[N:3]-[C:4](-[C:5])=[C:6]-[C:7](=[O:8])-[N:9]-1-[C:10]-[c:11]>>[C:10](-[c:11])-[Br:12].[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:[c:7](-[O:8]):[n:9]:1	1	53099
+[n:1]:[c:9]:[c:4](:[c:2]:[s:3])-[C:5](-[C:6])-[C:8]-[C:7]>>[n:1]:[c:9]:[c:4](:[c:2]:[s:3])-[C:5](-[C:6])=[C:8]-[C:7]	1	53112
+[c:1]-[N:2]-[C:3](=[O:4])-[C:5](=[C:6]-[N:7])-[C:8]=[O:9]>>[C:3](=[O:4])(-[C:5](=[C:6]-[N:7])-[C:8]=[O:9])-[O:10].[c:1]-[N:2]	1	53118
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[o:9]:1):[c:8]):[c:10]>>[c:1]:[c:2](:[c:10])-[I:11].[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[o:9]:1):[c:8]	1	53119
+[c:1]-[C:2]-[C:3]-[C:4]-[O:5]>>[c:1]-[C:2]=[C:3]-[C:4](=[O:5])-[O:8]-[C:7]-[C:6]	1	53142
+[O:1]-[C:2](=[O:3])-[C:4](-[O:5])-[c:6]:[c:7]:[n:8]>>[O:1]-[C:2](=[O:3])-[C:4](=[O:5])-[c:6]:[c:7]:[n:8]	1	53151
+[C:1]-1-[C:2]-[C:3](=[O:4])-[C:5](-[c:6])-[C:7]-1=[O:8]>>[C:1]-1-[C:2]-[C:3](-[O:4]-[C:9])=[C:5](-[c:6])-[C:7]-1=[O:8]	1	53178
+[C:1]-[C:2]-[C:3]-[c:4](:[c:5]):[s:6]>>[C:1]-[C:2]=[C:3]-[c:4](:[c:5]):[s:6]	1	53191
+[n:1]:[c:2](-[N:3]):[n:4]>>[n:1]:[c:2](-[N:3]=[N+:6]=[N-:5]):[n:4]	1	53231
+[N:1]-[C:6](-[N:5]-[c:4](:[c:2]):[n:3])=[O:10]>>[N:1]-[C:6](-[N:5](-[c:4](:[c:2]):[n:3])-[C:7]-[c:16]:1:[c:8]:[c:9]:[c:13](-[O:12]-[C:11]):[c:14]:[c:15]:1)=[O:10]	1	53234
+[c:1](-[C:2]-[N:3]-[c:4]):[c:5]:[o:6]>>[N:3]-[c:4].[c:1](-[C:2]=[O:7]):[c:5]:[o:6]	1	53235
+[C:1]-[C:2](-[c:3](:[c:4]):[n:5])-[n:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:1>>[C:1]-[C:2](-[c:3](:[c:4]):[n:5])-[Br:11].[n:6]:1:[c:7]:[c:8]:[n:9]:[c:10]:1	1	53257
+[c:1]-[O:2]>>[c:1]-[O:2]-[C:4]-[C:3]	1	53268
+[c:1]-[S:2](=[O:3])(=[O:4])-[C:5]-[c:6](:[c:7]:[o:8]):[n:9]>>[C:5](-[c:6](:[c:7]:[o:8]):[n:9])-[Cl:10].[c:1]-[S:2](=[O:3])-[O:4]	1	53288
+[c:1]:1:[n:2]:[n:3]:2-[C:4]-[C:5]-[C:6]-[N:7]-[c:8]:2:[c:9]:1>>[c:1]:1:[n:2]:[n:3]:2:[c:4]:[c:5]:[c:6]:[n:7]:[c:8]:2:[c:9]:1	1	53317
+[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6](:[c:7]):[n:8])-[O:10]):[c:9]:1>>[n:1]:1:[n:2]:[c:3]:[c:4](-[C:5](-[c:6](:[c:7]):[n:8])=[O:10]):[c:9]:1	1	53318
+[C:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6]:2-[C:7](=[O:8])-[N:9]-[C:10](-[c:11])=[N:12]-[n:13]:1:2>>[C:1]-[C:2](-[N:3]-[C:4](-[C:5])-[c:6]:1:[c:7](-[O:8]):[n:9]:[c:10](-[c:11]):[n:12]:[n:13]:1)=[O:14]	1	53322
+[c:1]-[C:2](-[N:3]-[c:4])-[C:5]-1=[N:6]-[N:7](-[c:8](:[n:9]):[n:10])-[C:11](=[O:12])-[N:13]-1>>[c:1]-[C:2](=[N:3]-[c:4])-[C:5](=[N:13]-[C:11](=[O:12])-[O:15]-[C:14])-[S:16]-[C:17].[N:6]-[N:7]-[c:8](:[n:9]):[n:10]	1	53330
+[c:1]:[c:2](-[N:3]-[C:4](=[O:5])-[O:7]):[s:6]>>[c:1]:[c:2](-[N:3]):[s:6].[C:4](=[O:5])(-[O:7])-[Cl:8]	1	53332
+[o:1]:[c:2](-[c:3](:[c:4]:[c:5]):[c:7]:[c:6]):[c:8]>>[c:4](:[c:5]):[c:30](:[c:7]:[c:6])-[c:29]:1:[c:28]:[c:27]:2:[c:26]:[c:24](:[c:23]:[c:22](-[C:20](-[O:19]-[C:18])=[O:21]):[c:32]:2:[o:31]:1)-[F:25].[o:1]:[c:2](-[c:3]:1:[c:15]:[c:14]:[c:13](-[C:12]-[N:10](-[C:9])-[C:11]):[c:17]:[c:16]:1):[c:8]	1	53340
+[c:1]:1:[c:2]:[c:3](-[C:4]):[c:5]:[c:6]:[c:7]:1>>[c:1]:1:[c:2]:[c:18](-[C:17]-[N:15](-[C:14])-[C:16]):[c:19]:[c:6]:[c:7]:1.[c:3]:1(-[C:4]):[c:5]:[c:13]:[c:10](-[C:9]#[C:8]):[c:11]:[c:12]:1	1	53343
+[c:1]-[N:2](-[C:3]-[c:4])-[S:5]>>[C:3](-[c:4])-[Cl:6].[c:1]-[N:2]-[S:5]	1	53345
+[C:1](=[N:2])-[N:4]-[C:3]>>[C:1](=[N:2])-[N:4](-[C:3])-[C:6](-[C:5])=[O:7]	1	53365
+[n:1]:[c:2](-[C:3]):[c:4]>>[n:1]:[c:2](-[C:3]-[I:5]):[c:4]	1	53373
+[n:1]:[c:2](-[C:3]-[O:5]):[n:4]>>[n:1]:[c:2](-[C:3]=[O:5]):[n:4]	1	53379
+[C:1]-[O:2]>>[C:1]-[O:2]-[C:5](-[C:4]-[C:3])=[O:6]	1	53381
+[C:1]=[N:2]-[C:3]-[C:4]>>[C:1]=[N:2]-[C:3](-[C:4])=[O:5]	1	53398
+[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[C:6]-2=[C:7](-[C:8](=[O:9])-[N:10](-[c:11](:[c:12]):[c:13])-[C:14]=[C:15]-2)-[C:16]=[N:17]>>[c:11](:[c:12])(:[c:13])-[B:19](-[O:18])-[O:20].[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[c:6]:2:[c:7](:[c:8](-[O:9]):[n:10]:[c:14]:[c:15]:2)-[C:16]=[N:17]	1	53406
+[s:1]:[c:2]:[c:3]-[C:4]-[c:5](:[c:6]):[c:7]>>[s:1]:[c:2]:[c:3]-[C:4]-[Br:8].[c:5](:[c:6])(:[c:7])-[B:10](-[O:9])-[O:11]	1	53419
+[c:1]:1:[n:2]:[n:3]:2:[c:4](-[C:5]):[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:1>>[c:1]:1:[n:2]:[n:3]:[c:8](-[N:7]-[N:6]-[C:4](-[C:5])=[O:11]):[n:9]:[c:10]:1	1	53435
+[n:1]:[c:3]:[c:2]-[N:4]>>[n:1]:[c:3]:[c:2]-[N:4]-[C:6](-[C:5])=[O:7]	1	53443
+[n:1]:1:[c:2]:[c:3]:[c:4]:2:[c:5]:1:[c:6](-[O:7]):[c:8](-[C:9]#[N:10]):[c:11](-[O:12]):[n:13]:2>>[n:1]:1:[c:2]:[c:3]:[c:4](:[c:5]:1-[C:6](=[O:7])-[O:16]-[C:15]-[C:14])-[N:13]-[C:11](-[C:8]-[C:9]#[N:10])=[O:12]	1	53444
+[C:1]-1-[C:2]-[O:3]-[C:4]-1>>[C:1](-[C:2]-[O:5])-[C:4]-[O:3]	1	53458
+[C:1](-[C:2]-[C:3])(=[O:4])-[O:5]>>[C:1](-[C:2](-[C:3])-[C:6]#[N:7])(=[O:4])-[O:5]	1	53461
+[C:1](=[O:2])(-[C:3]-[N:4])-[O:5]>>[C:1]-1(-[C:3]-[N:4]-[C:7](=[O:2])-[N:6]-1)=[O:5]	1	53469
+[c:1]-[N:2](-[C:3]-[c:4])-[n:5](:[c:6]):[c:7]>>[C:3](-[c:4])-[Br:8].[c:1]-[N:2]-[n:5](:[c:6]):[c:7]	1	53473
+[c:1]-[C:2]-1-[C:3]-[C:4]-[C:5](-[c:6])-[N:7]-1-[c:8]>>[N:7]-[c:8].[c:1]-[C:2](-[C:3]-[C:4]-[C:5](-[c:6])-[O:14]-[S:15](-[C:16])(=[O:17])=[O:18])-[O:13]-[S:10](-[C:9])(=[O:11])=[O:12]	1	53484
+[C:1](=[C:2](-[O:3]-[c:4])-[c:5])-[S:6]>>[O:3]-[c:4].[C:1](=[C:2](-[c:5])-[Br:7])-[S:6]	1	53490
+[C:1]#[C:2]-[c:3](:[n:4]:[c:5](:[c:6]):[c:7]):[c:8]>>[C:1]#[C:2].[c:3](:[n:4]:[c:5](:[c:6]):[c:7])(:[c:8])-[Br:9]	1	53500
+[C:1]#[C:2]-[c:3](:[c:4]:[n:5]):[c:7]:[n:6]>>[C:1]#[C:2].[c:3](:[c:4]:[n:5])(:[c:7]:[n:6])-[I:8]	1	53501
+[C:1]#[C:2]-[C:3]-[c:4]>>[C:1]#[C:2]-[C:3](-[c:4])-[O:5]	1	53508
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]-[O:7]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]=[O:7]	1	53524
+[c:1]:1(:[c:2]:[c:3](-[C:4]):[c:5](-[c:6]):[n:7]:[n:8]:1)-[O:9]>>[C:1]-1(-[C:2]-[C:3](-[C:4])-[C:5](-[c:6])=[N:7]-[N:8]-1)=[O:9]	1	53536
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5](:[c:6]:[n:7]):[n:8])-[c:9]>>[C:1]-[N:2]-[c:9].[C:3](=[O:4])(-[c:5](:[c:6]:[n:7]):[n:8])-[O:10]	1	53555
+[c:1]:[c:3](:[n:2])-[c:4]:1:[n:5]:[c:6](-[c:7]):[n:8]:[o:9]:1>>[N:5]-[C:6](-[c:7])=[N:8]-[O:9].[c:1]:[c:3](:[n:2])-[C:4](=[O:10])-[O:11]	1	53566
+[C:1]-[c:2]:1:[c:3](-[c:4]):[o:5]:[c:6](-[C:7]):[n:8]:1>>[C:1]-[C:2](-[C:3](-[c:4])=[O:5])-[N:8]-[C:6](-[C:7])=[O:9]	1	53569
+[C:1]=[C:2](-[C:3])-[c:4]>>[C:2](-[C:3])(-[c:4])=[O:17].[C:1]-[P+:22](-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)(-[c:21]:2:[c:15]:[c:16]:[c:18]:[c:19]:[c:20]:2)-[c:23]:3:[c:8]:[c:7]:[c:6]:[c:5]:[c:24]:3	1	53614
+[C:1]-1-[C:2]-[O:3]-[C:4](-[c:5])=[N:6]-1>>[C:1](-[C:2]-[O:3])-[N:6]-[C:4](-[c:5])=[O:7]	1	53639
+[C:1]-[C:2](-[C:3]#[N:4])(-[C:5]-[n:6](:[c:7]):[n:8])-[c:9]>>[C:1]-[C:2](-[C:3]#[N:4])-[c:9].[C:5](-[n:6](:[c:7]):[n:8])-[Cl:10]	1	53672
+[C:1](-[C:2]-[C:3])=[O:4]>>[C:1](-[C:2](-[C:3])-[C:8](-[O:7]-[C:6]-[C:5])=[O:9])=[O:4]	1	53675
+[O:1]-[N:2]-[C:3](-[C:4])-[c:5]>>[O:1]-[N:2]=[C:3](-[C:4])-[c:5]	1	53691
+[c:1]-[C:2](-[C:3])(-[C:4](=[O:5])-[N:6])-[C:8](-[c:7])=[O:9]>>[c:1]-[C:2](-[C:3])-[C:4](=[O:5])-[N:6].[c:7]-[C:8](=[O:9])-[O:10]-[C:11]	1	53696
+[c:1]-[N:2]-[c:3]>>[c:1]-[N:2](-[c:3])-[C:5](-[C:4])=[O:6]	1	53706
+[C:1](=[O:2])-[C:3]-[n:4]:1:[c:5]:[n:6]:[c:7]:[n:8]:1>>[C:1](=[O:2])-[C:3]-[Br:9].[n:4]:1:[c:5]:[n:6]:[c:7]:[n:8]:1	1	53720
+[c:1]-[C:2]-1=[C:3](-[c:4])-[C:5](=[O:6])-[O:7]-[C:8]-1>>[C:3](-[c:4])-[C:5](=[O:6])-[O:7].[c:1]-[C:2](-[C:8]-[Br:10])=[O:9]	1	53721
+[c:1]-[C:2](-[O:3])-[C:4]-[C:5](-[C:6]-[O:7])-[C:8]-[O:9]>>[c:1]-[C:2](=[O:3])-[C:4]-[C:5](-[C:6](=[O:7])-[O:12]-[C:11]-[C:10])-[C:8](=[O:9])-[O:13]-[C:14]-[C:15]	1	53722
+[c:1]:1(:[n:2]:[c:3](-[C:4]):[n:5]:[c:6]:2:[c:7]:1:[s:8]:[c:9]:[c:10]:2)-[O:11]>>[C:1](-[N:2])(-[c:7]:1:[c:6](-[N:5]-[C:3](-[C:4])=[O:12]):[c:10]:[c:9]:[s:8]:1)=[O:11]	1	53742
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N:2](-[C:3](=[O:4])-[C:5])-[C:12](-[c:11]:1:[c:10]:[c:9]:[c:8](-[O:7]-[C:6]):[c:15]:[c:14]:1)-[C:13]	1	53750
+[C:1]-[O:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10]>>[c:3]:1(:[n:4]:[c:5]:[c:6]:[c:7](:[c:8]:1:[n:9]):[n:10])-[Cl:11].[C:1]-[O:2]	1	53752
+[c:1]-[c:2]:1:[n:3]:[c:4]:[n:5]:[n:6]:1-[c:7]>>[N:5]-[N:6]-[c:7].[c:1]-[C:2](-[N:3]=[C:4]-[N:9](-[C:8])-[C:10])=[O:11]	1	53756
+[c:1]-[c:2]:1:[n:3]:[c:4](-[C:5]):[c:6](-[C:7]):[o:8]:1>>[c:1]-[C:2](-[N:3]-[C:4](-[C:5])-[C:6](-[C:7])=[O:9])=[O:8]	1	53759
+[N:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:[c:7]:1>>[N+:1](-[c:2]:1:[c:3]:[c:7]:[c:6]:[c:5]:[c:4]:1)(=[O:8])-[O-:9]	1	53761
+[C:1]-[C:2](=[C:3]-[C:4](=[O:5])-[O:7])-[c:6]>>[C:1]-[C:2](-[C:3]-[C:4](=[O:5])-[O:7])(-[c:6])-[O:8]	1	53783
+[c:1]:[c:2](-[N:3]-1-[C:4]-[C:5]-[C:6]-[C:7]-1=[O:8]):[n:9]>>[c:1]:[c:2](-[N:3]-[C:7](-[C:6]-[C:5]-[C:4]-[Cl:10])=[O:8]):[n:9]	1	53806
+[c:1]-[S:2]-[C:3](-[C:4])-[c:5]>>[C:3](-[C:4])(-[c:5])-[Cl:6].[c:1]-[S:2]	1	53830
+[N:1]-1-[C:2]-[C:3]-[C:4]-[C:5]-1=[O:6]>>[N:1]#[C:2]-[C:3]-[C:4]-[C:5](=[O:6])-[O:9]-[C:8]-[C:7]	1	53855
+[C:1](-[c:2](:[n:3]):[n:4])=[C:5](-[c:6])-[c:7]>>[C:1](-[c:2](:[n:3]):[n:4])-[C:5](-[c:6])(-[c:7])-[O:8]	1	53857
+[c:1]-[C:2](-[c:3](:[c:4]):[c:5])(-[c:6])-[O:7]>>[c:1]-[C:2](-[c:6])=[O:7].[c:3](:[c:4])(:[c:5])-[Mg:9]-[Br:8]	1	53869
+[c:1]:1:[c:2]:[c:3](-[n:4]:2:[c:5]:[c:6]:[n:7]:[c:8]:2):[c:9]:[c:10]:[n:11]:1>>[c:1]:1:[c:2]:[c:3](:[c:9]:[c:10]:[n:11]:1)-[Cl:12].[n:4]:1:[c:5]:[c:6]:[n:7]:[c:8]:1	1	53870
+[c:1]-[C:2]=[C:3]-[n:4]:1:[c:5](:[c:6]:[c:8]:[c:9]:1):[c:7]>>[c:1]-[C:2](-[C:3]-[n:4]:1:[c:5](:[c:6]:[c:8]:[c:9]:1):[c:7])-[O:10]	1	53899
+[O:1]-[C:2](-[C:3](=[O:6])-[O:7])-[C:4]-[c:5]>>[O:1]-[C:2](-[C:3](=[O:6])-[O:7])=[C:4]-[c:5]	1	53903
+[C:1]-[c:2]:1:[n:3]:[n:4]:[c:5]:2:[c:6]:[n:7]:[c:8](:[c:9](:[c:10]):[n:12]:1:2):[n:11]>>[C:1]-[C:2](-[N:3]-[N:4]-[c:5]:1:[c:6]:[n:7]:[c:8](:[c:9](:[c:10]):[n:12]:1):[n:11])=[O:13]	1	54004
+[c:1]-[N:2]-1-[C:3](=[O:4])-[C:5]-[C:6]-[C:7]-1=[O:8]>>[c:1]-[N:2]-[C:7](-[C:6]-[C:5]-[C:3](=[O:4])-[O:9])=[O:8]	1	54006
+[C:1]-[C:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[C:2](-[C:3](=[O:4])-[C:5])-[C:8](-[O:7]-[C:6])=[O:9]	1	54011
+[C:1](-[C:2](-[C:3])-[c:4])=[O:5]>>[C:1]-1-[C:2](-[C:3])(-[c:4])-[O:5]-1	1	54020
+[c:1]:[c:2]:1:[c:3](-[c:4]):[o:5]:[n:6]:[c:7]:1:[c:8]>>[c:1]:[c:2]:[c:7](-[N+:6](-[O-:5])=[O:11]):[c:8].[C:3](-[c:4])-[C:10]#[N:9]	1	54024
+[c:1]-[c:2]:1:[c:3]:[c:4](-[O:5]):[n:6]:[c:7](:[c:8]):[c:10]:1:[c:9]>>[c:1]-[C:2](-[c:10](:[c:7](-[N:6]-[C:4](-[C:3])=[O:5]):[c:8]):[c:9])=[O:11]	1	54026
+[c:1]:1(:[c:2](-[c:3]):[c:4](-[c:5]):[c:6]:[n:7]:[n:8]:1)-[O:9]>>[C:1]-1(-[C:2](-[c:3])=[C:4](-[c:5])-[C:6]=[N:7]-[N:8]-1-[C:16]-[c:15]:2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2)=[O:9]	1	54031
+[N:1]-[c:2].[c:3]-[C:4]-1=[N:5]-[O:6]-[C:7](=[O:8])-[N:9]-1>>[N+:1](-[c:2])(=[O:10])-[O-:11].[c:3]-[C:4]=1-[N:5]-[O:6]-[C:7](=[O:8])-[N:9]=1	1	54036
+[c:1]:[c:2](-[N:3]-1-[N:4]=[C:5]-[C:6]=[C:7]-[C:8]-1=[O:9]):[c:10]>>[c:1]:[c:2](:[c:10])-[Br:11].[n:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[O:9]	1	54041
+[c:1]-[C:2]=[O:3]>>[c:1]-[C:2](-[O:3]-[C:7]-[C:8])-[O:6]-[C:5]-[C:4]	1	54042
+[n:1]:1:[c:2]:[c:3]:[c:4](-[c:5]):[c:6]:[c:7]:1-[O:8]>>[N+:1]-1(-[C:2]=[C:3]-[C:4](-[c:5])=[C:6]-[C:7]-1=[O:8])-[O-:9]	1	54075
+[c:1]:1(:[c:2]:[c:3](-[c:4]):[c:5]:[n:6]:[n:7]:1)-[O:8]>>[C:1]-1(-[C:2]=[C:3](-[c:4])-[C:5]=[N:6]-[N:7]-1-[C:15]-[c:14]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)=[O:8]	1	54076
+[c:1]-[c:2]:1:[c:3](-[O:4]):[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8]>>[c:1]-[C:2]-1=[C:3](-[O:4])-[c:5](:[c:6](:[c:7])-[S:9]-1=[O:10]):[c:8]	1	54077
+[C:1]-[C:2]-1=[C:3](-[C:4](=[O:5])-[O:6])-[C:7](-[c:8])-[C:9](-[C:10](=[O:11])-[O:12])=[C:13](-[C:14])-[N:15]-1>>[C:1]-[C:2](-[C:3](-[C:4](=[O:5])-[O:6])=[C:7]-[c:8])=[O:16].[C:9](-[C:10](=[O:11])-[O:12])=[C:13](-[C:14])-[N:15]	1	54078
+[O:1]-[C:2](=[O:3])-[C:4]-1-[C:5](=[O:6])-[c:7]:[c:9](:[c:8])-[C:10]-1-[c:11]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](=[O:6])-[c:7]:[c:9]:[c:8])=[C:10]-[c:11]	1	54079
+[C:1]=[C:2](-[C:3])-[C:4]-[O:5]>>[C:1]=[C:2](-[C:3])-[C:4](=[O:5])-[O:8]-[C:7]-[C:6]	1	54080
+[c:1]-[C:2]=[C:3]-[C:4](-[O:5])=[O:17]>>[C:3](-[C:4](-[O:5])=[O:17])=[P:23](-[c:9]:1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)(-[c:22]:2:[c:15]:[c:16]:[c:19]:[c:20]:[c:21]:2)-[c:24]:3:[c:8]:[c:7]:[c:6]:[c:26]:[c:25]:3.[c:1]-[C:2]=[O:18]	1	54111
+[n:1]:[c:2](-[C:3]=[C:4]-[c:5]):[n:6]>>[C:4](-[c:5])=[O:7].[n:1]:[c:2](-[C:3]):[n:6]	1	54123
+[C:1](=[O:2])-[C:7](-[C:5](-[O:4]-[c:3])-[c:6])-[c:8]>>[C:5](-[c:6])=[O:9].[C:1](=[O:2])-[C:7]-[c:8].[c:3]-[O:4]	1	54139
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5]=[O:6])=[C:7]-[c:8]>>[O:1]-[C:2](=[O:3])-[C:4]-[C:5]=[O:6].[C:7](-[c:8])=[O:9]	1	54142
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])-[C:6]-[P:7](=[O:8])(-[O:9])-[C:10]>>[P:7](=[O:8])(-[O:9])-[C:10].[O:1]-[C:2](=[O:3])-[C:4](-[C:5])=[C:6]	1	54165
+[n:1]:[c:2]:[c:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[C:8]):[o:9]:1>>[n:1]:[c:2]:[c:3]-[C:4](-[N:5]-[N:6]-[C:7](-[C:8])=[O:9])=[O:10]	1	54167
+[C:1]-[C:2](-[O:3])=[C:4](-[c:5]:1:[n:6]:[c:7]:[c:8](-[C:9]):[o:10]:1)-[N:11]>>[C:1]-[C:2](-[O:3])=[C:4](-[C:5](-[N:6]-[C:7]-[C:8](-[C:9])=[O:12])=[O:10])-[N:11]	1	54188
+[C:1]-[N:2]>>[C:1]-[N:2]-[C:4]=[O:3]	1	54198
+[O:1]=[C:2]-1-[O:3]-[C:4]-[C:5](-[c:6]:[c:8]:[n:7])=[C:9]-1-[c:10]>>[O:1]=[C:2](-[O:3]-[C:4]-[C:5](-[c:6]:[c:8]:[n:7])=[O:11])-[C:9]-[c:10]	1	54201
+[c:1]-[N:2]-[C:3]>>[c:1]-[N:2](-[C:3])-[C:8]-[c:7]:1:[c:6]:[c:5]:[c:4]:[c:10]:[c:9]:1	1	54216
+[c:1]:[c:2](:[c:3])-[C:5](-[N:4])-[C:6]>>[c:1]:[c:2]:[c:3].[N:4]-[C:5](-[C:6])=[O:7]	1	54252
+[C:1]-[C:2]-[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1>>[C:1]-[C:2]-[Br:8].[n:3]:1:[c:4]:[n:5]:[c:6]:[n:7]:1	1	54259
+[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[o:9]>>[c:3]:1(:[n:4]:[c:5]:[n:6]:[c:7](:[c:8]:1):[o:9])-[Cl:10].[C:1]-[N:2]	1	54281
+[C:1]-[N:2](-[C:3])-[C:4](=[O:5])-[N:6]-[S:7]>>[C:1]-[N:2]-[C:3].[C:4](=[O:5])=[N:6]-[S:7]	1	54295
+[c:1]-[C:2]-[N:3]-1-[C:4]=[C:5]-[C:6]=[C:7]-[C:8]-1=[O:9]>>[c:1]-[C:2]-[Cl:10].[n:3]:1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[O:9]	1	54317
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](-[c:6]):[n:7]:[c:8](-[c:9]):[n:10]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5](-[c:6])=[O:11])=[N:10]-[O:12].[N:7]-[C:8]-[c:9]	1	54322
+[C:1](=[O:2])-[O:3].[c:4]-[O:5]>>[C:1](=[O:2])-[O:3]-[C:7](-[O:5]-[c:4])(-[C:6])-[C:8]	1	54326
+[n:1]:[c:2](-[N:3]):[c:4]>>[n:1]:[c:2](-[N:3](-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7](-[O:6]-[C:5]):[c:22]:[c:21]:1)-[C:12]-[c:13]:2:[c:14]:[c:15]:[c:16](-[O:17]-[C:18]):[c:19]:[c:20]:2):[c:4]	1	54328
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+[c:1]-[C:2](-[C:3]-[C:4]#[N:5])-[c:6]>>[c:1]-[C:2](=[C:3]-[C:4]#[N:5])-[c:6]	1	55134
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+[S:1]-[N:2](-[C:3])-[C:4]-[c:5]>>[C:4](-[c:5])-[Cl:6].[S:1]-[N:2]-[C:3]	1	55146
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+[c:1]:[c:2]:1:[c:3](-[O:4]):[n:5]:[c:6]:[c:7]:[c:8]:1:[c:9]>>[c:1]:[c:2]:1-[C:3](=[O:4])-[N:5](-[C:6]=[C:7]-[c:8]:1:[c:9])-[C:16]-[c:15]:2:[c:14]:[c:13]:[c:12](-[O:11]-[C:10]):[c:18]:[c:17]:2	1	55152
+[N:1]=[C:2](-[C:3]-[O:4])-[C:5]=[C:6]>>[N:1]=[C:2](-[C:3](=[O:4])-[O:8]-[C:7])-[C:5]=[C:6]	1	55155
+[O:1]-[C:2](=[O:3])-[c:4]:1:[c:5](:[c:6]:2:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:2:[n:12]:[c:13]:1-[O:14])-[Cl:15]>>[O:1]-[C:2](=[O:3])-[C:4]-1=[C:5](-[c:6]:2:[c:7]:[c:8]:[c:9]:[n:10]:[c:11]:2-[N:12](-[C:13]-1=[O:14])-[C:22]-[c:21]:3:[c:20]:[c:19]:[c:18](-[O:17]-[C:16]):[c:24]:[c:23]:3)-[Cl:15]	1	55156
+[N:1]#[C:2]-[c:3]:1:[c:4](:[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:2:[n:11]:[c:12]:1-[O:13])-[Cl:14]>>[N:1]#[C:2]-[C:3]-1=[C:4](-[c:5]:2:[c:6]:[c:7]:[c:8]:[n:9]:[c:10]:2-[N:11](-[C:12]-1=[O:13])-[C:21]-[c:20]:3:[c:19]:[c:18]:[c:17](-[O:16]-[C:15]):[c:23]:[c:22]:3)-[Cl:14]	1	55157
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+[C:1]=[C:2]-[C:3](=[O:4])-[c:5]>>[C:1]=[C:2]-[C:3](-[O:4])-[c:5]	1	55169
+[N:1]-[C:2]=[C:3](-[C:4]-[O:7])-[C:5]=[O:6]>>[N:1]-[C:2]=[C:3](-[C:4](-[O:7])=[O:8])-[C:5]=[O:6]	1	55170
+[N:1]-[C:2]=[C:3](-[C:4]=[O:7])-[C:5]=[O:6]>>[N:1]-[C:2]=[C:3](-[C:4]-[O:7])-[C:5]=[O:6]	1	55171
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[c:6]:2:[c:7]:[s:8]:[c:9](-[N:10]):[n:11]:2>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[C:7]-[Br:13])=[O:12].[S:8]=[C:9](-[N:10])-[N:11]	1	55188
+[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[c:6]:2:[n:7]:[c:8](:[c:9](:[c:10]):[n:12]:2-[c:13]):[c:11]>>[c:1]:1:[n:2]:[o:3]:[c:4]:[c:5]:1-[C:6](-[N:7]-[c:8](:[c:9](:[c:10])-[N:12]-[c:13]):[c:11])=[O:14]	1	55199
+[S:1]-[C:2]-[N:3]-1-[C:4]=[C:5](-[Cl:6])-[C:7]=[N:8]-[C:9]-1=[O:10]>>[S:1]-[C:2]-[Cl:11].[n:3]:1:[c:4]:[c:5](-[Cl:6]):[c:7]:[n:8]:[c:9]:1-[O:10]	1	55210
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+[O:1]-[c:2]:1:[c:3](-[O:4]):[c:5](:[c:6]):[c:8](:[c:7]):[n:9]:[c:10]:1-[O:11]>>[O:1]-[C:2]-[C:10](-[N:9]-[c:8](:[c:5](-[C:3](-[O:4])=[O:12]):[c:6]):[c:7])=[O:11]	1	55221
+[C:1]-[C:2]-[O:3]>>[C:1]-[C:2](-[O:3])-[Br:4]	1	55244
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+[O:1]-[C:2](=[O:3])-[C:4](-[C:5]-[c:6])-[C:7](=[O:8])-[O:9]>>[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6])-[C:7](=[O:8])-[O:9]	1	55280
+[C:1](-[c:2](:[c:3]):[o:4])#[N:5]>>[C:1](-[c:2](:[c:3]):[o:4])(-[N:5])=[O:6]	1	55331
+[c:1](:[c:2]):[n:5]:[c:4]:[c:3]>>[c:1](:[c:2]):[n:5]:[c:4](:[c:3])-[Br:6]	1	55354
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+[c:1]:[c:2](-[C:3](-[N:4])=[S:5]):[s:6]>>[S:5]=[P:16]-1(-[S:15]-[P:13](-[c:12]:2:[c:11]:[c:10]:[c:9](-[O:8]-[C:7]):[c:27]:[c:26]:2)(=[S:14])-[S:25]-1)-[c:17]:3:[c:18]:[c:19]:[c:20](-[O:21]-[C:22]):[c:23]:[c:24]:3.[c:1]:[c:2](-[C:3](-[N:4])=[O:28]):[s:6]	1	55388
+[C-:1]#[N+:2]-[C:3]>>[C:1](-[N:2]-[C:3])=[O:4]	1	55391
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+[C:1]-[C:2](-[C:3])-[c:4]:[c:5]:[n:6]>>[C:1]-[C:2](-[C:3])(-[c:4]:[c:5]:[n:6])-[O:7]	1	55458
+[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[N:6](-[C:7]-[C:8](=[O:9])-[N:10])-[C:11]>>[n:1]:[c:2]:[c:3]-[C:4](=[O:5])-[O:12].[N:6](-[C:7]-[C:8](=[O:9])-[N:10])-[C:11]	1	55462
+[c:1]:1:[c:2]:[n:3]:[n:4]:[c:5]:1>>[c:1]:1:[c:2]:[n:3](:[n:4]:[c:5]:1)-[S:13](-[c:12]:2:[c:6]:[c:7]:[c:9](-[C:8]):[c:10]:[c:11]:2)(=[O:14])=[O:15]	1	55471
+[c:1]-[C:2]-[C:3](-[c:4])=[O:5]>>[c:1]-[C:2]=[C:3](-[c:4])-[C:7](=[O:5])-[O:6]	1	55479
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+[C:1]-[C:2](=[C:3])-[C:4](=[O:5])-[O:6]-[c:7]>>[O:6]-[c:7].[C:1]-[C:2](=[C:3])-[C:4](=[O:5])-[O:8]	1	55523
+[C:1]-[N:2]-1-[C:3]-[C:4]-[O:5]-[C:6]-1=[O:7]>>[C:1]-[N:2]-[C:3]-[C:4]-[O:5].[C:6](=[O:7])(-[n:10]:1:[c:9]:[c:8]:[n:17]:[c:16]:1)-[n:11]:2:[c:12]:[c:13]:[n:14]:[c:15]:2	1	55546
+[C:1]-[Si:2](-[C:3])(-[C:4]-[n:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:1)-[c:10]>>[C:1]-[Si:2](-[C:3])(-[C:4]-[Cl:11])-[c:10].[n:5]:1:[c:6]:[c:7]:[n:8]:[c:9]:1	1	55593
+[O:1]=[C:2]-1-[N:3]-[C:4](-[c:5])-[N:6]-[c:7]:[c:8]-1:[s:9]>>[O:1]=[C:2](-[N:3])-[c:8](:[c:7]-[N:6]):[s:9].[C:4](-[c:5])=[O:10]	1	55597
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+[c:1]:1:[n:2]:[c:3]:2:[c:4](:[c:5]:[n:6]:1):[n:7]:[c:8](-[c:9]):[o:10]:2>>[c:1]:1:[n:2]:[c:3](:[c:4](:[c:5]:[n:6]:1)-[N:7]-[C:8](-[c:9])=[O:11])-[O:10]	1	55608
+[c:1]-[c:2]:1:[c:3](-[c:4]):[c:5]:[c:6](:[n:7]:[n:8]:1)-[O:9]>>[c:1]-[C:2]=1-[C:3](-[c:4])-[C:5]-[C:6](-[N:7]-[N:8]=1)=[O:9]	1	55614
+[C:1]-[C:2]-1=[C:3]-[C:4]-[N:5](-[C:6]-[c:7])-[C:8]-[C:9]-1>>[C:1]-[c:2]:1:[c:3]:[c:4]:[n:5]:[c:8]:[c:9]:1.[C:6](-[c:7])-[Br:10]	1	55621
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+[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1-[C:6](-[O:7])(-[c:8])-[c:9]>>[C:6](=[O:7])(-[c:8])-[c:9].[n:1]:1:[c:2]:[n:3]:[c:4]:[c:5]:1	1	55696
+[n:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6](:[c:7]):[s:9]:1):[c:8]):[c:10]>>[N:4]-[c:5](:[c:6](:[c:7])-[S:9]):[c:8].[n:1]:[c:2](-[C:3](=[O:11])-[O:12]):[c:10]	1	55724
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+[n:1]:[c:2]:[c:3]-[C:4]-[c:5]>>[n:1]:[c:2]:[c:3]-[C:4](-[c:5])=[O:6]	1	55737
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+[n:1]:[c:2]:[c:3]-[C:4]-1-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[C:10]-1-[c:11]:[c:12]:[n:13]>>[n:1]:[c:2]:[c:3]-[C:4]=1-[C:5](=[O:6])-[N:7]-[C:8](=[O:9])-[C:10]=1-[c:11]:[c:12]:[n:13]	1	55778
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+[O:1]=[C:2](-[C:3]-[N:4](-[C:5]=[O:6])-[C:7]=[O:8])-[N:9]>>[O:1]=[C:2](-[C:3]-[Cl:10])-[N:9].[N:4](-[C:5]=[O:6])-[C:7]=[O:8]	1	55821
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+[N:1]#[C:2]-[N:3]=[C:4](-[N:5]-[c:6])-[N:7]-[C:8]>>[N:7]-[C:8].[N:1]#[C:2]-[N:3]-[C:4](=[N:5]-[c:6])-[S:10]-[C:9]	1	55830
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+[N:1]-[C:2]#[N:3]>>[N:1]-[C:2](-[N:3])=[S:4]	1	55856
+[n:1]:1:[c:2]:2:[c:3]:[c:4]:[c:5]:[c:6](-[O:7]):[c:8]:2:[c:9]:[c:10]:1>>[n:1]:1:[c:2]:2-[C:3]-[C:4]-[C:5]-[C:6](=[O:7])-[c:8]:2:[c:9]:[c:10]:1	1	55861
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+[N:1]-[C:2]-[c:3]>>[N:1](=[C:2]-[c:3])-[O:5]-[C:4]	1	55898
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+[O:1]=[C:2]-1-[N:3]-[N:4](-[c:5])-[C:6]=[C:7]-1-[C:8]=[O:9]>>[O:1](-[c:2]:1:[n:3]:[n:4](-[c:5]):[c:6]:[c:7]:1-[C:8]=[O:9])-[C:14]-[c:13]:2:[c:12]:[c:11]:[c:10]:[c:16]:[c:15]:2	1	55966
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+[n:1]:[c:2]:[c:7](:[c:4](:[c:3])-[C:5]#[C:6]):[n:8]>>[C:5]#[C:6].[n:1]:[c:2]:[c:7](:[c:4](:[c:3])-[I:9]):[n:8]	1	55980
+[C:1]-[C:2](-[Br:3])=[C:4](-[C:5]-[C:6]-[c:7])-[C:8]=[C:9]>>[C:1]-[C:2](-[Br:3])=[C:4](-[C:5]#[C:6]-[c:7])-[C:8]=[C:9]	1	55981
+[C:1]-[c:2]:1:[c:3](-[C:4]-[C:5](=[O:6])-[O:11]):[o:7]:[c:8](-[c:9]):[n:10]:1>>[C:1]-[C:2](-[C:3](-[C:4]-[C:5](=[O:6])-[O:11])=[O:12])-[N:10]-[C:8](=[O:7])-[c:9]	1	55998
+[O:1]=[C:2](-[C:3])-[N:4]-[O:5]>>[O:1]=[C:2](-[C:3])-[N:4]-[O:5]-[K:6]	1	56002
+[O:1]=[C:2]-[O:3]-[C:4]-[O:5]-[C:6](=[O:7])-[C:8]>>[O:5]-[C:6](=[O:7])-[C:8].[O:1]=[C:2]-[O:3]-[C:4]-[Cl:9]	1	56009
+[C:1]-[S:2]>>[C:1]-[S:2]-[C:4](=[O:3])-[c:5]:1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1	1	56010
+[c:1]:[c:2](-[c:3]:1:[n:4]:[c:5](:[c:6]):[c:8](:[c:7]):[c:9](-[c:10]):[c:11]:1):[s:12]>>[N:4]-[c:5](:[c:6]):[c:8](:[c:7])-[C:9](-[c:10])=[O:13].[c:1]:[c:2](-[C:3](-[C:11])=[O:14]):[s:12]	1	56012
+[N:1]-[C:2](=[O:3])-[C:4]-[c:5]>>[N:1]-[C:2](=[O:3])-[C:4](-[c:5])-[S:7]-[C:6]	1	56019
+[c:1]:[c:2]:1:[n:3]:[c:4]:[c:5](-[C:6]=[O:7]):[c:8](:[c:9]:1:[c:10])-[O:11]>>[c:1]:[c:2](-[N:3]-[C:4]=[C:5](-[C:6]=[O:7])-[C:8](=[O:11])-[O:14]-[C:13]-[C:12]):[c:9]:[c:10]	1	56023
+[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5](-[c:6]):[n:7]:1-[C:8]>>[c:1]-[C:2](-[C:3]-[C:4]-[C:5](-[c:6])=[O:10])=[O:9].[N:7]-[C:8]	1	56035
+[C:1]-[C:2]-[c:3](:[n:4]):[c:5]>>[C:1]-[C:2](-[c:3](:[n:4]):[c:5])-[O:6]	1	56040
+[C:1](-[C:2]-[C:3]=[C:4]-[C:5])-[C:7](-[N:6])=[O:8]>>[C:1](-[C:2]-[C:10]=[C:9])-[C:7](-[N:6])=[O:8].[C:3]=[C:4]-[C:5]	1	56054
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:[c:6]:1:[n:7]>>[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5](:[c:6]:1:[n:7])-[Cl:8]	1	56069
+[C:1]-[N:2]>>[C:1]-[N:2]-[C:7](-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:21]:[c:20]:1)(-[c:8]:2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c:14]:3:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:3	1	56093
+[c:1]:1:[n:2]:[n:3]:[c:4](:[c:5]:1):[c:6]>>[c:1]:1:[n:2]:[n:3](:[c:4](:[c:5]:1):[c:6])-[C:22](-[c:10]:2:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:2)(-[c:21]:3:[c:16]:[c:17]:[c:18]:[c:19]:[c:20]:3)-[c:23]:4:[c:9]:[c:8]:[c:7]:[c:25]:[c:24]:4	1	56100
+[N:1]#[C:2]-[C:3](-[C:4]-[C:5])(-[c:6])-[c:7]>>[N:1]#[C:2]-[C:3](-[c:6])-[c:7].[C:4](-[C:5])-[Cl:8]	1	56113
+[c:1]-[C:2]-1(-[C:3]-[O:4]-[c:5](:[c:6]):[c:8]-1:[c:7])-[C:9](=[O:10])-[N:11]>>[c:1]-[C:2](-[C:3]-[O:4])(-[c:5](:[c:6]):[c:8](:[c:7])-[O:12])-[C:9](=[O:10])-[N:11]	1	56141
+[C:1]=[C:2]-[C:3](=[O:4])-[O:5]>>[C:1]=[C:2]-[C:3](=[O:4])-[O:5]-[C:10](-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:18]:[c:17]:1)-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2	1	56146
+[c:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[n:6]:2:[c:7]:[c:8]:[n:9]:[c:10]:1:2>>[c:1]-[C:2]-1=[C:3]-[C:4]-[C:5]-[n:6]:2:[c:7]:[c:8]:[n:9]:[c:10]-1:2	1	56162
+[N:1]#[C:2]-[C:3](-[C:4]-[c:5])-[C:6](=[O:7])-[O:8]>>[N:1]#[C:2]-[C:3](=[C:4]-[c:5])-[C:6](=[O:7])-[O:8]	1	56184
+[C:1](-[C:2]-[C:3](-[c:4])-[O:5]-[c:6])=[O:7]>>[C:1](-[C:2]=[C:3]-[c:4])=[O:7].[O:5]-[c:6]	1	56188
+[c:1]:[c:2]:1:[c:3](:[c:4]):[o:5]:[c:6](-[c:7]):[n:8]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[O:5])-[N:8]=[C:6]-[c:7]	1	56190
+[C:1]-[C:2]=[C:3]-[O:4]-[C:5]-[c:6]>>[C:1]-[C:2]=[C:3]-[O:4].[C:5](-[c:6])-[Br:7]	1	56198
+[c:1]-[C:2]-[S:3]-[c:4]:1:[n:5]:[n:6]:[c:7](-[c:8]):[o:9]:1>>[S:3]=[C:4]-1-[N:5]-[N:6]=[C:7](-[c:8])-[O:9]-1.[c:1]-[C:2]-[Br:10]	1	56199
+[c:1](:[n:2]):[c:5]:1:[c:4](:[n:3]):[c:10]:[c:9]:[n:6]:1-[C:7]-[c:8]>>[C:7](-[c:8])-[Br:11].[c:1](:[n:2]):[c:5]:1:[c:4](:[n:3]):[c:10]:[c:9]:[n:6]:1	1	56203
+[C:1]-1-[O:2]-[C:3](=[O:4])-[C:5]-1>>[C:1](-[O:2])-[C:5]-[C:3](=[O:4])-[O:6]	1	56253
+[C:1]-[C:2]-1=[C:3](-[N:4]=[C:5](-[N:6]-[C:7])-[C:8](=[O:9])-[N:10]-1-[C:11]-[C:12](=[O:13])-[O:14])-[Cl:15]>>[C:1]-[C:2]-1=[C:3](-[N:4]-[C:5](=[N:6]-[C:7])-[C:8](=[O:9])-[N:10]-1-[C:11]-[C:12](=[O:13])-[O:14]-[C:20]-[c:19]:2:[c:18]:[c:17]:[c:16]:[c:22]:[c:21]:2)-[Cl:15]	1	56258
+[C:1]-[C:2](=[C:3]-[N:4]=[C:5])-[N:6]>>[C:1]-[C:2](=[C:3](-[N:4]=[C:5])-[Cl:7])-[N:6]	1	56261
+[c:1]:1:[c:2](-[N:3]-[C:4]):[n:5]:[n:6]:[c:7]:1>>[N:3]-[C:4].[c:1]:1:[c:2](:[n:5]:[n:6]:[c:7]:1)-[Br:8]	1	56279
+[N:1]-[c:2](:[c:3]):[n:4]>>[N:1](-[c:2](:[c:3]):[n:4])(-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:18]:[c:17]:1)-[C:10]-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2	1	56311
+[C:1]-1=[N:2]-[C:3]-2=[C:4](-[C:5]-[C:6]-[C:7]-[N:8]-2)-[C:9](=[O:10])-[N:11]-1>>[C:1]-1=[N:2]-[c:3]:2:[c:4](:[c:5]:[c:6]:[c:7]:[n:8]:2)-[C:9](=[O:10])-[N:11]-1	1	56323
+[n:1]:[c:2]:[c:3]:[c:4](:[c:5])-[C:8]=[C:7]-[C:6]>>[n:1]:[c:2]:[c:3]:[c:4]:[c:5].[C:6]-[C:7]#[C:8]	1	56324
+[O:1]=[C:2]-1-[C:3]-[C:4]-[C:5]-[C:6]-1>>[O:1]=[C:2]-1-[C:3]=[C:4]-[C:5]-[C:6]-1	1	56351
+[O:1]=[C:2]-[c:3](:[c:4]:[n:5]):[n:6]>>[O:1]=[C:2](-[c:3](:[c:4]:[n:5]):[n:6])-[O:9]-[C:8]-[C:7]	1	56383
+[C:1]-[C:2](-[C:3](=[C:4]-[C:5])-[C:6])=[O:7]>>[C:1]=[C:2](-[C:3](=[C:4]-[C:5])-[C:6])-[O:7]-[C:9]-[C:8]	1	56387
+[c:1]:1:[c:2]:[s:3]:[c:4](-[N:5]-2-[C:6]=[C:7]-[C:8](-[C:9](=[O:10])-[N:11])=[C:12]-[C:13]-2=[O:14]):[n:15]:1>>[n:5]:1:[c:6]:[c:7]:[c:8](-[C:9](=[O:10])-[N:11]):[c:12]:[c:13]:1-[O:14].[c:1]:1:[c:2]:[s:3]:[c:4](:[n:15]:1)-[Br:16]	1	56396
+[s:1]:[c:2](-[N:3](-[C:4]-[C:5])-[C:7](-[C:6])=[O:8]):[n:9]>>[s:1]:[c:2](-[N:3]-[C:7](-[C:6])=[O:8]):[n:9].[C:4](-[C:5])-[Br:10]	1	56397
+[s:1]:[c:2](-[N:3]-1-[C:4]-[C:5]-[C:6]-[C:7]-1=[O:8]):[n:9]>>[s:1]:[c:2](-[N:3]-[C:7](-[C:6]-[C:5]-[C:4]-[Br:10])=[O:8]):[n:9]	1	56398
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6])-[N:7]-[C:8](=[O:9])-[O:10]>>[C:5](-[c:6])=[O:17].[O:1]-[C:2](=[O:3])-[C:4](-[N:7]-[C:8](=[O:9])-[O:10])-[P:13](-[O:12]-[C:11])(=[O:14])-[O:15]-[C:16]	1	56438
+[N:1]-[C:2](=[O:3])-[c:4]:1:[c:5](:[n:6]:[c:7](-[C:8]):[n:9]:1)-[c:10]>>[N:1]-[C:2](=[O:3])-[C:4](=[C:5](-[N:6])-[c:10])-[N:9]-[C:7](-[C:8])=[O:11]	1	56445
+[C:1](=[O:2])-[N:3](-[C:4])-[c:5](:[c:6]:[n:7]):[c:8]>>[C:1](=[O:2])-[N:3]-[C:4].[c:5](:[c:6]:[n:7])(:[c:8])-[F:9]	1	56453
+[C:1]-[c:2]:1:[c:3]:[n:4]:[c:5](-[C:6]):[o:7]:1>>[C:1]-[C:2](-[C:3]-[N:4]-[C:5](-[C:6])=[O:7])=[O:8]	1	56454
+[C:1]-[N:2]-1-[C:3](=[O:4])-[N:5]-[N:6]-[C:7]-1=[O:8]>>[C:1]-[N:2]-[C:3](=[O:4])-[N:5]-[N:6]-[C:7](=[O:8])-[O:10]-[C:9]-[C:11]	1	56455
+[c:1]-[C:2]-[C:3](-[N:4]-[C:9](=[O:8])-[O:10])-[C:5](=[O:6])-[O:7]>>[c:1]-[C:2]=[C:3](-[N:4]-[C:9](=[O:8])-[O:10])-[C:5](=[O:6])-[O:7]	1	56512
+[N:1]-[C:2](=[O:3])-[O:4]-[C:5]>>[N:1]-[C:2](=[O:3])-[O:6]-[C:13]-[c:12]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1.[O:4]-[C:5]	1	56522
+[n:1]:[c:8](:[c:2]):[c:7](:[c:3])-[C:6]=[C:5]-[C:4]>>[n:1]:[c:8](:[c:2]):[c:7]:[c:3].[C:4]-[C:5]#[C:6]	1	56526
+[c:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:1:[c:6]>>[c:1]:1:[c:2]:[c:3]:[n:4](:[c:5]:1:[c:6])-[C:8](=[O:7])-[O:9]-[C:10]-[c:11]:2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2	1	56568
+[N:1]=[C:2](-[N:3]-[C:4])-[S:7].[C:5]-[O:6]>>[N:1]-[C:2](=[N:3]-[C:4])-[S:7].[C:5]-[O:6]-[C:12]-[c:11]:1:[c:10]:[c:9]:[c:8]:[c:14]:[c:13]:1	1	56585
+[N:1](-[O:2])-[C:3](-[O:4])=[O:5]>>[N:1]-[O:2].[C:3](-[O:4])(=[O:5])-[Cl:6]	1	56611
+[O:1]=[C:2](-[C:3]=[C:4]-[O:5])-[N:6]>>[O:1]=[C:2](-[C:3](=[C:4]-[O:5])-[C:10](-[O:9]-[C:8]-[C:7])=[O:11])-[N:6]	1	56613
+[O:1]=[C:2]-[N:8](-[C:6](-[N:4](-[c:3])-[c:5])=[O:7])-[O:9]>>[O:1]=[C:2]-[N:8]-[O:9].[c:3]-[N:4]-[c:5].[C:6](=[O:7])(-[n:17]:1:[c:13]:[n:14]:[c:15]:[c:16]:1)-[n:18]:2:[c:12]:[n:11]:[c:10]:[c:19]:2	1	56616
+[O:1]-[c:2]:[c:4](:[n:3]):[n:5]>>[O:1](-[c:2]:[c:4](:[n:3]):[n:5])-[C:10]-[c:9]:1:[c:8]:[c:7]:[c:6]:[c:12]:[c:11]:1	1	56694
+[c:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[c:6]:[c:7]:[s:8]:1>>[c:1]-[C:2](=[O:3])-[O:10]-[C:9].[c:4]:1:[n:5]:[c:6]:[c:7]:[s:8]:1	1	56705
+[O:1]-[C:2](=[O:3])-[C:4](=[C:5]-[c:6])-[O:7]>>[C:5](-[c:6])=[O:8].[O:1]-[C:2](=[O:3])-[C:4](-[O:7])-[P+:13](-[c:12]:1:[c:11]:[c:10]:[c:9]:[c:27]:[c:26]:1)(-[c:14]:2:[c:15]:[c:16]:[c:17]:[c:18]:[c:19]:2)-[c:20]:3:[c:21]:[c:22]:[c:23]:[c:24]:[c:25]:3	1	56707
+[O:1]-[C:2]-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1>>[O:1]=[C:2](-[c:3]:1:[c:4]:[n:5]:[n:6]:[c:7]:1)-[O:9]-[C:8]	1	56711
+[N:1]-[c:2]:1:[n:3]:[o:4]:[c:5](:[c:6]:1:[c:7]):[c:8]>>[N:1]#[C:2]-[c:6](:[c:5](-[O:4]-[N:3]=[C:10](-[C:9])-[C:11]):[c:8]):[c:7]	1	56717
+[O:1]-[C:2](=[O:3])-[c:4]:1:[n:5]:[c:6](:[c:7]):[c:9](:[c:8]):[c:10](-[O:11]):[c:12]:1>>[O:1]-[C:2](=[O:3])-[C:4](-[N:5]-[c:6](:[c:7]):[c:9]:[c:8])=[C:12]-[C:10](=[O:11])-[O:13]	1	56740
+[C:1]-[N:2]-[C:3](=[O:4])-[C:5]>>[C:1]-[N+:2](-[O-:6])=[O:9].[C:3](=[O:4])(-[C:5])-[O:8]-[C:7]	1	56742
+[c:1](-[C:2]-[C:3]=[O:4]):[c:5]:[n:6]>>[c:1](-[C:2]=[C:3]-[O:4]-[C:7]):[c:5]:[n:6]	1	56748
+[C:1]-[C:2](-[C:3])(-[C:4])-[c:6](:[c:5]):[c:7]>>[C:1]=[C:2](-[C:3])-[C:4].[c:5]:[c:6](:[c:7])-[Br:8]	1	56769
+[N:1]-[C:3](=[C:2])-[C:4]-[O:5]>>[N:1]-[C:3](=[C:2])-[C:4](=[O:5])-[O:6]	1	56833
+[c:1]:[c:2](-[C:3](-[C:4])-[O:6]):[o:5]>>[c:1]:[c:2](-[C:3](-[C:4])=[O:6]):[o:5]	1	56855
+[O:1]=[C:2](-[C:3]-1=[C:4]-[C:5](=[O:6])-[N:7]-[N:8]-1-[C:9])-[N:10]>>[O:1]=[C:2](-[c:3]:1:[c:4]:[c:5](-[O:6]-[C:15]-[c:14]:2:[c:13]:[c:12]:[c:11]:[c:17]:[c:16]:2):[n:7]:[n:8]:1-[C:9])-[N:10]	1	56876
+[O:1]=[C:2]-1-[N:3]-[N:4](-[C:5])-[C:7](-[C:6])=[C:8]-1>>[O:1](-[c:2]:1:[n:3]:[n:4](-[C:5]):[c:7](-[C:6]):[c:8]:1)-[C:13]-[c:12]:2:[c:11]:[c:10]:[c:9]:[c:15]:[c:14]:2	1	56877
+[C:1]-[S:2]>>[C:1]-[S:2]-[C:7]-[c:6]:1:[c:5]:[c:4]:[c:3]:[c:9]:[c:8]:1	1	56882
+[S:1]-[c:2](:[n:3]):[n:4]>>[S:1](-[c:2](:[n:3]):[n:4])-[C:9]-[c:8]:1:[c:7]:[c:6]:[c:5]:[c:11]:[c:10]:1	1	56885
+[c:1](:[c:2](-[N:3]):[c:4]:[n:5]):[n:6]>>[c:1](:[c:2](-[N:3]=[O:7]):[c:4]:[n:5]):[n:6]	1	56895
+[N:1]-[C:2](-[c:3](:[c:4]):[c:5])(-[C:6])-[C:7]>>[c:3](:[c:4])(:[c:5])-[Mg:9]-[Br:8].[N:1]-[C:2](-[C:6])(-[C:7])-[C:11]#[N:10]	1	56925
+[C:1](=[O:2])-[O:5].[C:3](=[O:4])-[O:6]>>[C:1](=[O:2])-[O:5]-[C:7].[C:3](=[O:4])-[O:6]-[C:8]	1	56939
+[c:1]:[c:2]:1:[c:3](:[c:4]):[n:5]:[c:6](:[c:7]):[c:9]:1:[c:8]>>[c:1]:[c:2]:[c:3](:[c:4])-[N:5]-[c:6](:[c:7]):[c:9]:[c:8]	1	56941
+[O:1]=[C:2](-[C:3])-[c:4]:1:[n:5]:[c:6]:[c:7]:[o:8]:1>>[O:1]=[C:2](-[C:3])-[O:9].[c:4]:1:[n:5]:[c:6]:[c:7]:[o:8]:1	1	56965
+[n:1]:[c:2](-[C:3](=[O:4])-[C:5]):[o:6]>>[n:1]:[c:2](-[C:3](-[O:4])-[C:5]):[o:6]	1	56978
+[c:1]-[P:2](-[c:3])-[c:4]>>[c:1]-[P:2](-[c:3])(-[c:4])=[O:5]	1	56991
+[O:1]-[C:2](=[O:3])-[C:4](-[C:5])=[C:6]>>[O:1]-[C:2](=[O:3])-[C:4](-[C:5]=[P:11](-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:25]:[c:24]:1)(-[c:12]:2:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:2)-[c:18]:3:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:3)=[C:6]	1	56993
+[C:1]-[N:2]-[C:3]>>[C:1]-[N:2](-[C:3])-[S:5](=[O:4])(=[O:6])-[c:7]:1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1	1	57000
+[N:1]-[C:2](=[O:3])-[C:4]-1-[C:5]-[N:6]-1-[S:7]>>[N:1]-[C:2](=[O:3])-[C:4](-[C:5]-[O:8])-[N:6]-[S:7]	1	57001
+[N:1]-[C:2]-[C:3]=[C:4]>>[N:1](-[C:2]-[C:3]=[C:4])-[S:6](=[O:5])(=[O:7])-[c:8]:1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1	1	57004
+[C:1](=[O:2])-[c:3]:1:[c:4](-[C:5]-[C:6](=[O:7])-[O:8]):[c:9](:[c:10]):[c:12](:[c:11]):[n:13]:1>>[C:4](=[C:5]-[C:6](=[O:7])-[O:8])-[c:9](:[c:10]):[c:12](:[c:11])-[N:13]-[S:16](=[O:15])(=[O:17])-[c:18]:1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1.[C:1](=[O:2])-[C:3]-[Br:14]	1	57005
+[c:1]-[O:2]>>[c:1]-[O:2]-[Si:16](-[c:6]:1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)(-[C:13](-[C:12])(-[C:14])-[C:15])-[c:17]:2:[c:5]:[c:4]:[c:3]:[c:19]:[c:18]:2	1	57030
+[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](-[N:6]-[c:7](:[c:8]:[n:9]):[n:10]):[n:11]:1>>[N+:6](-[c:7](:[c:8]:[n:9]):[n:10])(=[O:13])-[O-:14].[c:1]:1:[n:2]:[c:3]:[c:4]:[c:5](:[n:11]:1)-[Cl:12]	1	57057
+[N:1]-1-[N:2]=[C:3]-2-[C:4](-[c:5])=[C:6](-[c:7])-[C:8]=[C:9]-[N:10]-2-[C:11]-1=[O:12]>>[N:1]-[N:2]-[c:3]:1:[c:4](-[c:5]):[c:6](-[c:7]):[c:8]:[c:9]:[n:10]:1.[C:11](=[O:12])(-[n:15]:1:[c:14]:[c:13]:[n:22]:[c:21]:1)-[n:16]:2:[c:17]:[c:18]:[n:19]:[c:20]:2	1	57060
+[c:1]-[O:9].[C:2]-1-[N:3]-[C:4](=[N:5])-[c:6](:[n:7]):[c:8]-1>>[c:1]-[O:9]-[C:10].[C:2]-1-[N:3]=[C:4](-[N:5])-[c:6](:[n:7]):[c:8]-1	1	57075
+[C:1](-[C:2]-[S:3]-[c:4])=[N:5]>>[S:3]-[c:4].[C:1](-[C:2]-[Cl:6])=[N:5]	1	57087
+[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6]-[O:7]>>[c:1]:1:[n:2]:[n:3]:[c:4]:[c:5]:1-[C:6](=[O:7])-[O:8]	1	57097
+[C:1]-[N:2](-[C:3](=[O:4])-[c:5])-[c:6](:[n:7]):[c:8]>>[C:1]-[N:2]-[c:6](:[n:7]):[c:8].[C:3](=[O:4])(-[c:5])-[O:9]	1	57114
+[C:1](-[O:2]-[c:3]:1:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[n:11]:1)-[C:12](=[O:13])-[N:14]>>[C:1](-[O:2])-[C:12](=[O:13])-[N:14].[c:3]:1(:[c:4]:2:[c:5]:[n:6]:[n:7]:[c:8]:2:[n:9]:[c:10]:[n:11]:1)-[Cl:15]	1	57115
+[C:1]-[C:2](-[O:3])-[c:4](:[n:5]):[n:6]>>[C:1]-[C:2](=[O:3])-[c:4](:[n:5]):[n:6]	1	57118
+[O:1]=[C:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:2:[n:7]:[c:8]:[c:9]:[c:10]:[n:11]:1:2>>[O:1]=[C:2]-[C:3](-[N:4]-[C:5]-[c:6]:1:[n:7]:[c:8]:[c:9]:[c:10]:[n:11]:1)=[O:12]	1	57121
+[n:1]:1:[c:2]:[c:3]:[n:4]:[c:5]:1>>[n:1]:1:[c:2](:[c:3]:[n:4]:[c:5]:1)-[Br:6]	1	57123
+[n:1]:[c:2](:[n:3])-[O:4]>>[n:1]:[c:2](:[n:3])-[O:4]-[C:5]	1	57128
+[c:1](:[c:2]:[n:3])(:[c:5]:[n:4])-[O:6]>>[c:1](:[c:2]:[n:3])(:[c:5]:[n:4])-[O:6]-[C:8]-[C:7]	1	57144
+[n:1]:[c:2]:[c:3](-[O:4]):[c:5]:[n:6]>>[n:1]:[c:2]:[c:3](-[O:4]-[C:11]-[c:10]:1:[c:9]:[c:8]:[c:7]:[c:13]:[c:12]:1):[c:5]:[n:6]	1	57145
+[c:1]:[c:2](-[S:3]):[c:4](-[N:5]):[c:6]>>[c:1]:[c:2]:1:[s:3]:[c:7]:[n:5]:[c:4]:1:[c:6]	1	57150
+[O:1]=[C:2](-[C:3]-[C:4]-[c:5](:[c:6]:[n:7]):[c:9]:[n:8])-[O:10]>>[O:1]=[C:2](-[C:3]=[C:4]-[c:5](:[c:6]:[n:7]):[c:9]:[n:8])-[O:10]	1	57158
+[C:1](-[c:4]:[c:3]-[N:2])(=[O:5])-[N:6]>>[C:1](-[c:4]:[c:3]-[N+:2](=[O:5])-[O-:7])#[N:6]	1	57161
+[c:1]:[c:2]:1:[c:3](:[c:4]):[c:5]:2:[c:6](:[c:7]:[n:8]:[n:9]:2):[c:10](-[O:11]):[n:12]:1>>[c:1]:[c:2](:[c:3](:[c:4])-[c:5]:1:[c:6](:[c:7]:[n:8]:[n:9]:1)-[C:10](=[O:11])-[N:12])-[F:13]	1	57172
+[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n:6]:[n:7]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:5]):[n+:6](:[n:7]:1)-[O-:8]	1	57188
+[C:1](-[c:2](:[n:3]):[c:4])-[O:5]>>[C:1](-[c:2](:[n:3]):[c:4])(=[O:5])-[O:6]	1	57189
+[n:1]:[c:2](-[N:3]-1-[C:4](=[O:5])-[C:6]-[C:7]-[C:8]-1=[O:9]):[s:10]>>[n:1]:[c:2](-[N:3]-[C:4](=[O:5])-[C:6]-[C:7]-[C:8](=[O:9])-[O:11]):[s:10]	1	57212
+[O:1]=[C:2]-1-[C:3]=[C:4]-[C:5]=[C:6]-[N:7]-1-[c:8](:[n:9]:[c:10]:[c:11]):[c:12]>>[c:8](:[n:9]:[c:10]:[c:11])(:[c:12])-[Br:13].[O:1]-[c:2]:1:[c:3]:[c:4]:[c:5]:[c:6]:[n:7]:1	1	57216
+[n:1]:[c:2]:1:[n:3]:[n:4]:[c:5]:[c:6]:1>>[n:1]:[c:2]:1:[n:3]:[n:4]:[c:5](:[c:6]:1)-[N:7]	1	57224
+[c:1](-[C:2]=1-[N:3]-[n:4]:2:[c:5](-[C:6]):[n:7]:[c:8](-[C:9]):[c:10]:2-[C:11](=[O:12])-[N:13]=1):[c:14]:[n:15]>>[c:1](-[c:2]:1:[n:3]:[n:4]:[c:10](-[C:8](-[N:7]-[C:5](-[C:6])=[O:16])-[C:9]):[c:11](-[O:12]):[n:13]:1):[c:14]:[n:15]	1	57233
+[n:1]:[c:13](:[c:3]:[n:2]):[c:12]-1:[c:5](:[c:4])-[N:6]-[C:7](=[O:8])-[C:9](=[O:10])-[N:11]-1>>[n:1]:[c:13](:[c:3]:[n:2]):[c:12]:1:[c:5](:[c:4]):[n:6]:[c:7](-[O:8]):[c:9](-[O:10]):[n:11]:1	1	57247
+[c:1]:1:[n:2]:[c:3]:[c:4]:2:[n:5]:[c:6]:3:[n:7]:[c:8]:[c:9]:[c:10]:[c:11]:3:[c:12]:2:[c:13]:1>>[c:1]:1:[n:2]:[c:3]:[c:4](:[c:12](-[c:11]:2:[c:6](-[N:5]):[n:7]:[c:8]:[c:9]:[c:10]:2):[c:13]:1)-[Cl:14]	1	57274
+[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1>>[c:1]:1:[n:2]:[c:3]:[c:4]:[n:5]:1-[O:6]	1	57280
+[C:1]-[C:2]-[C:3](-[c:4](:[c:5]:[n:6]):[c:8]:[n:7])-[C:9]>>[C:1]-[C:2]=[C:3](-[c:4](:[c:5]:[n:6]):[c:8]:[n:7])-[C:9]	1	57294
+[c:1](:[c:2](-[c:3]:1:[n:4]:[c:5]:2:[c:6](:[c:7]:[c:8]:[n:9]:[c:10]:2):[o:11]:1):[n:12]):[n:13]>>[c:1](:[c:2](-[C:3](-[N:4]-[c:5]:1:[c:6](:[c:7]:[c:8]:[n:9]:[c:10]:1)-[O:11])=[O:14]):[n:12]):[n:13]	1	57302
+[C:1]-[N:2]=[C:3]-1-[N:4]-[C:5]-[C:6]-[C:7]-[N:8]-1>>[C:1]-[N:2]-[c:3]:1:[n:4]:[c:5]:[c:6]:[c:7]:[n:8]:1	1	57316
+[c:1]:1:[c:2]:[c:3]:[c:4](-[O:5]-[c:6]):[s:7]:1>>[c:1]:1:[c:2]:[c:3]:[c:4](:[s:7]:1)-[Br:8].[O:5]-[c:6]	1	57374
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/assets/single_step_policy_data.tsv b/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/assets/single_step_policy_data.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..af10e40649be53029fe3b9c9a10b0ddee6fbc5dd
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/assets/single_step_policy_data.tsv
@@ -0,0 +1,57382 @@
+product_smiles	rule_id
+O=S(=O)(Nc1ccc2COB(c2c1)O)c3ccc(cc3CC(=O)OCC)OC	69
+C1CC1c2cc(C#N)c(nc2Oc3cc4c(cc3)B(O)OC4)OCCCC(=O)C	136
+C(=O)(OC)C(C)c1c(F)cc(Br)c(c1)F	369
+C(C(=O)CBr)c1c(F)cccc1Cl	3173
+C(CCC(=O)CBr)(OC)=O	3173
+C(CCC)CNC(NCCCCCBr)=O	1064
+C(CCN1C(=O)N(c2ncn(c2C1=O)C)C)CCCCCCCC(OC(=O)C)CBr	5109
+c1ccc(cc1CCO)CCBr	1064
+c1(ccc2ncccc2c1CBr)[N+]([O-])=O	540
+C(c1cc(OC)ccc1Br)Br	540
+C(c1ccc(OCC)cc1C)Br	540
+C(OCC)(=O)C1(C(OCC)=O)CCC(=O)N1c2cnc(cc2)Oc3ccc(cc3)CBr	540
+C(CCCCN1C(=O)N(C)C=C(C1=O)C)(OC(C)=O)CBr	2307
+CCOC(C(CCBr)F)=O	3174
+c1cc(ccc1C(C(CC2CCCCC2)Br)=O)OC	1784
+C1CCC(C1)c2c(ccc(c2)Br)O	428
+C1CCCCC1c2c(ccc(c2)Br)O	428
+C1CN(CCC1)CCCCCCCCCC(CBr)OC(=O)C	2307
+C1COCCC1N(C)c2ccc(Br)cn2	1455
+O=S1(=O)CCC(CC1)CCBr	2308
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc3c(cc2Br)OCC4=NNC(=O)C(C)N34	428
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)C(=O)C(Br)c3ccccc3	2309
+CC(C)(C)OC(N1CC(C1)Oc2cc3N4C(C)C(=O)NN=C4COc3cc2Br)=O	428
+CC(C)(C)OC(=O)N1CCc2ccc(c(c2CC1)CBr)Cl	5110
+CC(C)(C)OC(Nc1ccc(Br)c(C)c1C(O)=O)=O	428
+CC(C)(C)c1cc(Br)ccc1N	428
+CC(C)(C)c1cc(C(=O)CBr)cc2NC(=O)COc12	380
+CC(C)(C)c1cc(OCCOC)cc(C(CBr)=O)c1	380
+CC(C)(C)c1cc2ccc3c4c(ccc(c24)c1)c(Br)cc3	428
+CC(C)(C)c1cc(Br)ccc1O	428
+CC(C)C(C(N1C(C(=O)OCC(=O)c2cc3c(-c4cc5c(cc4OC3)C(C(Br)CC5)=O)cc2)CCC1C)=O)NC(=O)OC	1784
+CC(C)CC(C(O)=O)Br	3175
+CC(C)Cc1c(Br)cccc1	369
+c1cc(ccc1)C(=O)C(Br)C=2C=CC(=O)N(C(C)C)N=2	5111
+CC(C)N1c2c(cc(c(c2)C)Br)CCC1	428
+CC(C)N1C(c2cc(ccc2C(=N1)Br)CBr)=O	540
+CC(C)Oc1cc(c(cc1)CBr)C	540
+CC(C)c1c(OC)ccc(Br)c1C	428
+CC(C)c1cc(Br)ccc1O	428
+c1cc(ccc1)CC(C(=O)OCC)CCBr	3174
+c1cc(cc(OC(C)=O)c1OC)C(CBr)=O	5112
+c1(C)cc(cc(C)c1C(=O)CBr)Oc2ccc3OCOc3c2	380
+Clc1cc(C#N)cc(Oc2c(c(OC)ncc2CO)Br)c1	1455
+c1(cc(cc(Cl)c1C)Br)Cl	369
+Clc1ccc2c(nccc2NCCOCCBr)c1	1064
+Clc1cnc(C(CBr)=O)c(Cl)c1	380
+FC(F)(F)C(=O)N1CC(C1)Cc2cc(ccc2OC)Br	428
+FC(F)(F)C(Nc1ccc(cc1)C#CCCCBr)=O	5113
+FC(F)(F)CCNC(c1ccc(cc1)C(=O)CBr)=O	380
+FC(F)(F)COc1cc(c(C(CBr)=O)nc1)Cl	380
+FC(F)(F)c1cc(ccc1O)Br	428
+FC(F)(F)c1c2C(=O)C(CCc2[nH]n1)Br	1784
+FC(F)(F)c1c(ccc(c1)N(S(=O)(=O)C)c2cc3oc(c(C(NC)=O)c3cc2C4CC4)-c5ccc(cc5)F)Br	369
+FC(F)(F)c1ccc(cc1)Oc2cc(C)c(c(c2)C)C(CBr)=O	380
+FC(F)(F)c1cccc(c1F)C(CBr)=O	380
+FC(F)(F)c1cc(NCCBr)c2c(n1)cccc2	1064
+FC(F)Oc1n(nc(c1Cl)-n2c(c(cn2)C#N)Br)C	5114
+c1(ccc(Br)c(C)c1F)C#N	369
+c1(ccc(Br)c(C)c1F)C(=O)O	369
+c1(c2cc(C)n(C(=O)OC)c2ccc1Cl)Br	5115
+c1c(cc(C)c(c1)[N+]([O-])=O)Br	369
+n1c(c(C)cc(Br)c1)CCCCN	1455
+c1c(cc(c(c1)CC)[N+]([O-])=O)Br	369
+c1(cc2cccnc2c(c1)Br)OC	5116
+c1c(Br)cc2CC(CCCc2c1)=O	369
+Nc1c(c(c(cc1)Br)F)C	428
+c1(c(cccc1Br)C(=O)O)Cl	369
+c1(ncc(cc1[N+]([O-])=O)Br)Br	2310
+Brc1ncc(C)cc1[N+](=O)[O-]	2310
+c1c(Br)cc2c(c1)N(CCC2)CCCCC(OCC)=O	428
+CCc1cc(c(OCC)cc1O)Br	428
+O(c1cc(Cl)c(C(=O)CBr)nc1)C	380
+C(CCCN1C(=O)N(c2ncn(C)c2C1=O)C)(OC(C)=O)CBr	2307
+O=C(c1c(O)c(O)c(Br)cc1)O	369
+c1ccc2C(=O)N(C(=O)c2c1)C(CF)(C(OC)=O)CC(=O)CBr	3176
+O=S(=O)(CC)c1ccccc1C(CBr)=O	380
+O=S(=O)(N)c1c(c(SC)cc(CBr)c1)Cc2ccccc2	540
+C1CCCCC1NS(=O)(=O)c2cccc(c2)C(CBr)=O	380
+C(Br)C(OC)CSCCCCCCCCCCCCCCCC	2308
+c1(csc(Br)n1)-c2cccc(c2F)F	2311
+c1(C)cc(Br)cnc1CCCN	1455
+c1c(CC)c(c([N+]([O-])=O)cc1)Br	369
+Cc1cc(cc(C)c1C(CBr)=O)Cl	380
+c1c(C)c(c(cc1OC)C)C(CBr)=O	380
+c1c(cc2c(c1)nc(N)nc2)Br	369
+c12c(cc(cc1cccc2)Br)C(OC)=O	369
+c1c(cc([N+]([O-])=O)cc1Br)C(=O)O	369
+Cc1cc(cc(C)c1)C(c2cc(C)cc(C)c2)Br	2312
+c1c(cc(-c2ccc(cn2)C)c(Cl)c1)Br	369
+c1(c(C)c(F)c(cc1F)C(=O)O)Br	369
+c1c(Cl)c(ccc1)C(c2ccccc2Cl)Br	2312
+c1(csc(Br)n1)-c2ccc(cc2F)Br	2311
+Cc1c(cccc1)C(c2c(C)cccc2)Br	2312
+c1cc(ccc1)C(C(=O)c2ccc3c(NC(=O)CO3)c2)Br	2309
+c1cc(ccc1)COC(CCC(C(O)=O)Br)=O	3175
+c1ccccc1Cc2ccccc2CBr	540
+c1ccccc1Cc2cc(ccc2O)Br	428
+c1cc(ccc1)Oc2cc(C)c(c(c2)C)C(CBr)=O	380
+c1cc(ccc1)Sc2ccc(nc2)Br	2310
+c1c(OC)c(Br)cc(-c2ccc(cc2C)C(=O)OC)c1	428
+c1cc(ccc1N(C)C)-c2nc(OC)ccc2Br	1455
+c1cc(ccc1Cl)-c2ccc(Br)c(I)c2	369
+c1cc(ccc1-c2oc3c(cc(c(N(S(=O)(=O)C)c4cc(Cl)c(Br)cc4)c3)C5CC5)c2C(NC)=O)F	369
+c1cc(ccc1-c2oc3cc(N(S(=O)(=O)C)c4cc(F)c(c(F)c4)Br)c(C5CC5)cc3c2C(NC)=O)F	369
+c1cc(ccc1OC)C(=O)C(Br)C	1784
+c1cc(ccc1-c2nc(sc2)Br)Br	2311
+c1cc(ccc1C(C(c2ccc(cc2)C)=O)Br)SC	2309
+c1cc(ccc1I)CC(=O)CBr	3176
+c1cc(ccc1CCCBr)[N+]([O-])=O	1064
+c1cc(ccc1Br)CCc2ccccc2CBr	540
+c1cc(ccc1CNc2cc(cc(c2)CBr)F)OC	540
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(N(S(=O)(=O)C)c4cc(Cl)c(Br)cc4)cc3o2)C5CC5	369
+c1cc(ccc1OCCCCCCCCCCCCCC)C(Nc2cccc(c2)CBr)=O	540
+c1cc(ccc1C#N)OCCN(S(=O)(=O)C)CCBr	2308
+c1c(C)c(c(cc1Oc2ccc(cc2)F)C)C(CBr)=O	380
+c1cc(ccc1[N+]([O-])=O)-c2cc(c(C(=O)CBr)cc2)C	380
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CBr	540
+c1ccccc1C2CC(CCBr)c3ccccc23	1064
+c1ccccc1CCCCCBr	1064
+c1ccccc1COc2cc(ccc2[N+]([O-])=O)CBr	540
+c1ccccc1COc2ccc(c3SC(=O)Nc23)C(CBr)=O	380
+n1c2cc(ccc2ccc1)CBr	540
+O=S(=O)(c1sc2c(cc(cc2)CBr)c1)N	5117
+BrC1(Br)C(=O)Nc2c1cc(Br)cn2	301
+BrCC(=O)C(c1c(cccc1)C)=O	5118
+C(C(=O)c1c(-c2ccc3c(ccc(c3Br)O)c2)oc4ccccc14)CCC	63
+C(C(O)C)Cc1nc(N)c2c(n(c(Br)n2)C)n1	1065
+c1cccc(C)c1C(=O)C(C(OCC)=O)Br	5119
+C(C(OC)=O)C(=O)C(CC)Br	1785
+c1(C(=O)OCC)c(Cl)c(ccc1OC)Br	63
+CCOC(=O)c1c2CCC(C(c2c(SC)s1)=O)Br	504
+c1c2c(cc(Br)c1NC(C)=O)C(CCC(=O)O)CC2	63
+C(CC(CCCC)CBr)CC	1224
+c12c(ccc(c1cccc2)C(C(Br)CCCC(=O)OCC)=O)F	504
+Nc1ncc(Br)nc1C(=O)OC	1786
+C(Oc1ccc(C(CBr)=O)c(C)c1)CCCl	288
+Cc1nc(sc1Br)-c2ccc(C(=O)O)cc2C	1066
+c1c(Br)c(cc(OC)c1F)CC(=O)O	63
+C(c1cc(c(cc1)O)C(CBr)=O)(=O)O	288
+C(c1cc2ccc(cc2cc1)OC)Br	1787
+C(c1cccc(c1)Cn2c3nc(nc(N)c3nc2Br)NCCCC)P(OCC)(=O)C	1065
+C(CC(=O)CBr)(NC1C(=O)N2C(C(=O)O)=C(CSC12)COC(=O)N)=O	3177
+O=C1NC(NC(=O)C1(Br)CCCCCCCCCC)=O	5120
+c12C(=O)C(Nc1c(C)cc(c2)Br)=O	63
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3C(NC(=O)CC(=O)CBr)C(=O)N23)=O	3177
+N1(C=C(c2cc(OC)c(cc2C1=O)OC)Br)CC	2313
+C1CC(CCC1)(C(c2c(c(C)cc(c2)C)OC)=O)Br	1788
+C1CCCCC1CC(C(=O)c2c(cc(cc2)OC)OC)Br	504
+C1CCCCC1CCC(Br)C(=O)c2cc(OC)c(cc2OC)Cl	504
+C1CCCCC1CCC(Br)C(=O)c2cc(c(cc2OC)C)OC	504
+C1CC(CCC1C(OC)=O)c2ccc(cc2)Br	63
+C1CC(CCC1O)c2ccc(cc2)Br	63
+C1CN(CCC1C(CBr)=O)C(C)=O	400
+COc1c2c(C(C(C2)Br)=O)ccc1C	504
+C1CC12C(Nc3c(F)cc(cc23)Br)=O	63
+C1CC1CN2C=C(c3c(cnc(SC)n3)C2=O)Br	5121
+C1CC1c2c(cc(c(O)c2)C(OC)=O)Br	63
+C1CC1c2cnc(N)c(Br)c2	301
+C1CC1n2ncc(c2)Br	635
+C1CCC(C1)c2cc(-c3c4ccccc4c(Br)c5c3c(C)c(C)s5)ccc2OC(C)=O	5122
+C1CCC1(c2ccc3ccccc3c2)C(CBr)=O	400
+C1C(CC1)N2CCC(=O)C(CC2)Br	1785
+C1CCCC1(c2cc(c(Cl)cc2)Cl)C(=O)CBr	400
+C1CCCCC12C(Nc3ccc(Br)cc23)=O	63
+C1CCCCC1C(=O)CBr	400
+C1CC(CCC1)C(CCBr)C(=O)NCc2c(cc(cc2Cl)OC)Cl	1224
+c12cc3c(CC(C)C3=O)c(Br)c1CCC2	63
+C1CN(CCC1)c2c(Br)cnc(c2)C	301
+C1CN(CCC1C(=O)OC)c2c3ccncc3c(c(-c4cc(Cl)ncc4)n2)Br	5123
+C1CN(CCN1c2ccc(Br)c([N+]([O-])=O)c2)C	63
+O=S(=O)(c1c(C(N)=O)[nH]c2c1ccc(Br)c2N)N3CCOCC3	1067
+C1COCCN1c2ccc3c(Br)c(ccc3n2)N	1067
+c1(F)c(Br)cc2C3(N=C(N)SCC3COc2c1)C	63
+CCC(N(C1Cc2ccc(Br)cc2C1)CCC)=O	63
+CC(=O)Nc1cc(F)c(cc1)C(CBr)=O	288
+CC(C)(C(CBr)=O)CCl	400
+CC(C)(C(CBr)=O)CO	400
+CC(C)(C)C(=O)Oc1cccc(CBr)c1	1787
+CC(C)(C)C(Nc1c(cc(cc1)Br)-c2ncccn2)=O	63
+CC(C)(C)Nc1ccc(cc1Br)[N+](=O)[O-]	63
+CC(C)(C)OC(N1CCC(CC1)n2c(nc3c2ncnc3N)Sc4c(cc5OCOc5c4)Br)=O	63
+CC(C)(C)OC(=O)N1CCCN(c2ccc3c(n2)OC(=O)C(=C3)C(CBr)=O)CC1	3178
+CC(C)(C)OC(C1=C(c2ccc(c(C)c2)C)c3c(cc(Br)cc3)C(=O)N1C)C(=O)OC	63
+CC(C)(C)OC(=O)N1C(C)CCC(C1)C(=O)CBr	400
+CC(C)(C)OC(N1CCN(CC1)c2ccc(Br)c(-c3cc(ncc3)Cl)n2)=O	301
+CC(C)(C)c1cc2C(C(CC(C)C)Cc2c(Br)c1OC)=O	63
+CC(C)(C)c1c(c(Br)c2CC(C(=O)c2c1)C)OCC(C)C	63
+CC(C)(C)c1cc(Br)c(O)cc1	63
+CC(C)(C)c1ccc(Br)c(c1)C(C)(C)C	63
+CC(C)(C)c1nn(-c2c(cccc2)C)c(N)c1Br	635
+c1cc(ccc1OC(Br)C(C(C)(C)CCl)=O)-c2ccc(cc2)Cl	2314
+CC(C)(C(CBr)=O)CF	400
+CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br	2314
+CN(C)C1CCc2c(c(Br)ccc2NC(C(C)(C)O)=O)C1	63
+c1cc(ccc1C(C)(C)C=C(CBr)F)Cl	5124
+C1CCCCN1c2ccc(cc2)C(=O)C(C)(C)Br	1788
+CC(C)C1(C(=O)c2c(C1)c3c(c(C)c2C)oc(c3)C(O)=O)Br	1788
+CC(C)CC(C(CBr)=O)C(=O)OCC	400
+CC(C)c1c(cc(cc1)Br)C=O	63
+CC(C)c1c(c(Br)cc(C(C)C)c1)O	63
+CC(C)c1cc(cc2C(C(=O)Nc12)=O)Br	63
+CC(C)c1nc(N)sc1Br	1066
+c1(c(c(ccc1NC(C)=O)Br)F)C	63
+c1c(cccc1C(=O)CBr)C#N	288
+CC(c1nnc2n1nc(cc2)C(=O)OC)c3ccc4c(cc(Br)cn4)c3	301
+CC1(C)c2c(C(C)(C)CC1)cc(c(Br)c2)CCCO	63
+CC1(C)c2cc(c(Br)cc2C(CC1)=O)C	63
+CC1(C)c2cc(cc(Br)c2OC1)C=O	63
+CC1(C)Cc2c3c(cc(c2)Br)C(C(=CN13)C(=O)OCC)=O	63
+CC1(C)C(=O)N(c2ccc(c(Br)c2C(c3c(cccc3)F)=N1)N)C	63
+CC1(C)Cc2cc(Br)cc(c2O1)C(O)=O	63
+CC1(C)c2cc(ccc2NC1=O)Br	63
+CC1(C)CCC(C)(C)c2c1cc(Br)c(CCCCCC)c2	63
+C(C(C(Br)C)=O)C(OC)=O	1785
+CCC(CO)Nc1c(Br)cncn1	1225
+c1c(Br)c(cc(Cl)c1F)NC(CC)=O	63
+CCC(c1cc(c(O)c(c1)CN)Br)=O	63
+C(C(c1cccnc1F)=O)(C)Br	504
+C(C)OC(=O)c1c(N)ccc(Br)n1	1068
+CCOC(c1cc(Br)cnc1N)=O	301
+Brc1nc(c(cc1[N+]([O-])=O)Br)CC	2315
+c1(Br)sc(N)nc1CC	1066
+CN(C)C1CCc2c(ccc(c2C1)OC)Br	63
+CN1C=C(c2c(ccc(-c3cnn(C)c3)c2)C1=O)Br	2313
+CN1C=C(c2c(ccc(c2)-c3ncccc3)C1=O)Br	2313
+COC(OC)c1c(c(Br)ncc1F)N	1068
+C(Br)c1c(OC)c(Br)cc(c1)Br	2316
+c12C3=C(C(CCC3(C)Cc1cc(OC)cc2)=O)Br	3179
+COc1ccc(CCBr)c([N+]([O-])=O)c1	1224
+c1cc(Br)c(F)c(c1OC)[N+]([O-])=O	63
+COc1ccc(c(CCO)c1)Br	63
+c1c(OC)c2c(c(c1)Br)ccc(CC)n2	1067
+Cc1c(C(CBr)=O)n(c(C)n1)C	288
+C(c1c2n(ncn2)cnc1CBr)CC	5125
+Cc1nc(O)c(cc1C(CBr)=O)C#N	288
+c1c(C)c(Br)cc(c1O)C(=O)O	63
+c1c(c(cc(O)c1F)C)Br	63
+c12CCCC(c1c(c(Br)cc2C)C)=O	63
+Brc1n2c(nc1)cc(cc2)C	5126
+Cc1nc(N)nc2N(C(C(Br)=Cc12)=O)CC	5127
+ClC(Cl)(Cl)C(NC(=O)Nc1c(cc(s1)Br)C(OC)=O)=O	1069
+Nc1c(cc(Br)c(Cl)c1)C(=O)O	63
+c1(Cl)cc(O)c(Br)nc1	1068
+Clc1cc(c(O)c([N+]([O-])=O)c1)Br	63
+Clc1c(O)ncc(Br)c1	301
+Clc1cnc(Oc2cccc(CBr)c2)cc1	1787
+Nc1c(Br)cc(Cl)cn1	301
+c1(Br)c(Cl)cc(-c2nc(ccc2)C)s1	1069
+FC(F)(F)C(C(Br)CC1CCC(F)(F)CC1)=O	1785
+FC(F)(F)C1(c2cc(Cl)c(c(c2)Cl)Cl)CCN(C1)c3nc(C)c(Br)cc3	301
+FC(F)(F)CC(C=O)Br	504
+FC(F)(F)Oc1ccccc1-c2cc(C(=O)CBr)ccc2	288
+FC(F)(F)c1n[nH]cc1Br	635
+FC(F)(F)c1cc([N+]([O-])=O)cc(Br)c1N	63
+FC(F)(F)c1c(O)ncc(c1)Br	301
+FC(F)(F)c1c(c(cc(-n2c(C)nc(c2)C)c1)Br)N	63
+FC(F)(F)c1c(c(O)ncn1)Br	1225
+FC(F)(F)c1c(F)cc(-c2cc(c(N)c(c2)F)Br)cc1	63
+FC(F)(F)c1cc(ccc1)NC(=O)CC(=O)CBr	400
+FC(F)(F)c1c(ncc(c1)Br)N2CCNCC2	301
+FC(F)(F)c1c(Br)nc(C(OCC)=O)c(N)n1	1786
+FC(F)(F)c1cc(c2cc(-c3oc4c(cccc4)c3Br)ccc2n1)OC	3180
+FC(F)(F)c1c(c(C)n(-c2ccc(cc2)CCO)n1)Br	635
+FC(F)Oc1c(ncc(c1)Br)O	301
+FC(F)c1ncnc(c1Br)O	1225
+FC1(F)CCN(CC1)c2sc(c(C3C(CCCC3)C(OC)=O)n2)Br	1066
+C(F)C(CF)(C(=O)CBr)C	400
+Fc1cc(cc(F)c1-c2c(ccc(C(OC)=O)n2)F)CBr	1787
+c1c(F)c(c(cc1NC(=O)C)F)Oc2c3c(ncc2)[nH]cc3Br	5128
+Fc1cccc(F)c1COc2cc(cnc2N)Br	301
+c1c(cc(c(C)c1)C#N)Br	63
+N1(C(=O)C)c2cc(C)c(Br)c(c2C(CCC(OCC)=O)C1)C	63
+Nc1c(cc(Br)c2CCCN(C)c12)C(=O)OC	63
+c1c(c(OC)cc(c1Br)CCN)OC	63
+Nc1ccc(Br)c(F)c1OC	63
+COc1cc([N+]([O-])=O)cc(Br)c1N	63
+n1c(nc(N)c(c1Cl)Br)SC(c2ncc3c(c2)cccc3)C	1225
+C(C)c1cc(Br)c(N)c([N+]([O-])=O)c1	63
+Nc1c(cc(cc1[N+]([O-])=O)F)Br	63
+n1cc([N+]([O-])=O)c(N)c(Br)c1	301
+Nc1c(Br)csc1C(=O)OC	1789
+Nc1nc(-c2nc(SC)ncc2)c(s1)Br	1066
+Nc1sc2C(C(CCCc2n1)Br)=O	504
+Nc1sc2c(ccc(F)c2Br)n1	5129
+C(CCC(OCC)=O)C(C(=O)c1sc(cc1)Cl)Br	504
+O(C)c1c(F)ccnc1Br	2315
+O(CC)P(OCC)(Cc1ccc(cc1)Cn2c(Br)nc3c(N)nc(nc23)OCCOC)=O	1065
+O(c1c(OCC)cc(Br)cn1)C	301
+O=C(C(=NOC)C(CBr)=O)OC	400
+C1(=O)CCCC(=O)C1Br	5130
+O=Cc1cc(c(OC)cc1O)Br	63
+O=Cc1cc(c(OC)cc1F)Br	63
+c1c(cc(c(C)c1)C=O)Br	63
+c1c(OC)c2oc(C=O)cc2c(c1)Br	3181
+O=S(=O)(C)Nc1cc(C(=O)CBr)c(cc1)F	288
+O=S(=O)(c1cc(c(c(Br)c1)O)[N+]([O-])=O)CC	63
+O=S(=O)(c1sccc1)Nc2c3c(c(O)c(Br)c2)cccc3	63
+O=S(=O)(Nc1c(cc(cc1)C(CBr)=O)Sc2ccc(F)cc2F)C	288
+O=S(=O)(c1cc(ccc1F)C(=O)CBr)N	288
+O=S(=O)(c1cc2C(=O)N(C)C(C(C)Br)=Nc2cc1)C	1070
+O=S1(=O)Nc2c3c(cccn3)c(cc2-c4ccccc14)Br	1067
+OCC1OC(C(O)C1O)n2c3nc(I)nc(N)c3nc2Br	1065
+c1(Br)c(c(cc(C(=O)c2ccccc2Cl)c1)CC)O	63
+c1c(cc2c(c1)ncc(O)n2)Br	1067
+[N-]=[N+]=NC1CCc2c(c(NC(C)=O)ccc2Br)C1	63
+Nc1c([N+]([O-])=O)cc([N+]([O-])=O)cc1Br	63
+C(CBr)(c1c(c2n(cccc2)n1)-c3cc(F)ncc3)=O	288
+Brc1c(O)nc2c(ccnc2)c1	5131
+c1(F)c(Br)cc(C)c(NC(C)=O)c1	63
+c1(C)cc(I)cnc1Br	2315
+Cc1c(c(c(c(c1)C=O)C)Br)C	63
+FC1CCC(C(C(OC)=O)C1)c2nc(C)sc2Br	1066
+C(n1nc(c(Br)c1CCCCCl)C#N)C	635
+c1(c2c(ccc1Br)N(C(C2)=O)C)Cl	63
+C(CCCC(C(=O)c1cc(OC)c(cc1OC)Cl)Br)CCCC	504
+Brc1c(OC)c(C)c(cc1C(OC)=O)OC	63
+Brc1c(cc(OCC)c(c1F)OCC)Br	63
+c1c(Cl)c(ccc1Cl)Oc2cc(Br)c(Cl)cc2O	63
+c1([N+]([O-])=O)c(C)ccc(C(CBr)=O)c1	288
+COc1cc(cc([N+]([O-])=O)c1N)Br	63
+c1(c(C(=O)O)cnc(C)c1Br)O	301
+c1(c(c(C(CBr)=O)ccc1)F)F	288
+c1(c(Br)cc([N+]([O-])=O)c(F)c1Cl)F	63
+O1c2c(CCC1)c(C)c(Br)cc2F	63
+C(c1cc(c(NC(C)=O)c(Br)c1O)[N+]([O-])=O)(=O)OC	63
+c1([N+]([O-])=O)cc(C(CBr)=O)c(Cl)cc1	288
+O=Cc1c(c(ccc1)O)Br	63
+c1c(c(O)c(cc1C(=O)OC)F)Br	63
+c1(ccc2c(n1)c(Br)cs2)C(=O)OC	5132
+c1(C)c(sc(Br)c1)COC(=O)C	1069
+c1(nc(c(c(c1)OCc2ccc(cc2F)F)Br)O)C	301
+c12c(nc[nH]1)c(c(N)cc2)Br	5133
+c1ccc2c(C(=O)N(C2=O)CCc3n(nc(C#N)c3Br)CCC)c1	635
+O1c2c(CCC1)c(C)c(Br)cc2Cl	63
+c1cncc2cccc(c12)Br	63
+c1c2c3c(cccc3)c(nc2ccc1Br)O	63
+n1c2c(nn1-c3c(O)ccc(CBr)c3)cccc2	2316
+c1c2C(C(CCCc2ccc1F)Br)=O	504
+c1c2ccc(Br)c(O)c2nc(C)c1	1067
+c1cc(Br)c(c2oc3c(c12)cccc3)C	3181
+c12cnc(cc1c3c([nH]2)ncc(c3)Br)C(=O)OC	301
+c1(c(Br)c(O)c(cc1)C(=O)C)O	63
+c1ccc(cc1C(CBr)=O)F	288
+c1(cc(c(O)nn1)Br)C(=O)OC	5134
+C(C)OC(=O)c1c(c(c([nH]1)C)Br)C	3182
+c1(C)cccc(C)c1-c2nc(Br)c(N)nc2	1786
+Brc1sc(-c2cc(c(cc2)CCCCC)F)cc1	1069
+c1c(CSc2nc3nc(c(Br)nc3c(n2)NC(C)CO)O)c(c(F)cc1)F	5135
+c1c(Cl)c(c(cc1)Cl)C=2C(=O)N(c3nc(nc(N)c3C=2)Nc4ccc(cc4)Br)C	63
+c1c(c(N)c(c(F)c1C#N)Br)F	63
+c1c(F)c(ccc1OCCCCl)C(CBr)=O	288
+[nH]1cc(C(=O)OC)c2cc(I)c(cc12)Br	1067
+Clc1cc(c(Br)cc1C)NC(C)=O	63
+c1c(c(cc(OC)c1F)Br)O	63
+C(O)(c1c(OC)ccc(Br)c1OC)=O	63
+c1c(cc([N+]([O-])=O)cc1Br)C(=O)O	63
+c1c(c(Cl)cc(C(CBr)=O)c1)OC	288
+c1c(c(c(F)cc1)C)CC(=O)CBr	400
+c1c(c(c2CC3(CCCC)CCC(C(=C3c2c1)Br)=O)C)OC	3179
+c1c(cc(cc1)CCCBr)C#N	1224
+c1c(cc2C(C(CCOc2c1)Br)=O)Br	504
+c1c(cc2c(OC(C(CBr)=O)=CC2=O)c1)Br	3178
+c1c(OC)c(-c2ncccc2)ccc1C(CBr)=O	288
+n1c(Br)c(ccc1C)O	1068
+o1c(cc(Br)c1C)C(=O)OC	3180
+c1c2c(ccc1)CC(C2)Nc3c4c([nH]cn4)nc(-n5nc(c(Br)c5C)C)n3	635
+c1cc(C(CBr)=O)c(cc1F)O	288
+C1(Nc2c(OC1)cc(C)c(Br)c2)=O	63
+c1(ccc(Br)nc1C(=O)OC)O	1068
+c1([N+]([O-])=O)c(ccc(Br)n1)O	1068
+COc1ccc(C(CBr)=O)cc1OC	288
+c1cc(OCCc2sc(Br)cc2)cc(C)c1OCC(OCC)=O	1069
+c12c(CCN1)cc([N+]([O-])=O)cc2Br	63
+c1(OC)c(Br)cc(cc1CCCC(=O)O)C	63
+c1ccccc1CN2C(C(CC)Br)=NC3=C(CCC3)C2=O	1070
+c1ccccc1CN2C(c3cccnc3N=C2C(Br)CC)=O	1070
+c1ccccc1COc2cc(cnc2N)Br	301
+c1cc(ccc1)COc2nncc3c(c(C)n(Cc4ccc(cc4)OC)c23)Br	5136
+c1ccccc1Cn2nc(C#N)c(Br)c2C	635
+c1ccccc1NC=2N(C)C(C(Br)=CN=2)=O	5137
+c1cc(ccc1)NC(=O)CC(=O)CBr	400
+c1cc(ccc1)Oc2cc(cnc2N)Br	301
+c1ccccc1S(=O)(=O)CC(CBr)=O	400
+O=S(=O)(CCCc1c(Br)c(C#N)nn1CCCC)c2ccccc2	635
+c1cc(ccc1)S(=O)(=O)N(C)CC(c2cc(Cl)ccc2)CCCBr	1224
+O=S(=O)(c1ccccc1)n2cc(Br)c3ccc(F)cc23	3182
+c1cc(ccc1CN2C(SCC)=NC(=C(C2=O)Br)C)-c3c(C#N)cccc3	3183
+c1cc(ccc1CN2C(CCC)=NC(=C(Br)C2=O)CC)-c3c(C#N)cccc3	3183
+Cc1ncccc1-c2cc(Br)c(cc2)OC	63
+c1ccccc1COCc2nc(N)nc(c2-c3cc(Br)c(N)cc3)N	63
+c1cc(ccc1OC)-c2ccc3c(ccc(OC)c3Br)c2	63
+c1cc(ccc1-c2cc(Br)c(OC)cc2)C(=O)OCC	63
+c1cc(ccc1CCC(CBr)=O)Br	400
+c1cc(ccc1C#N)OCCCCCOc2ccc(cc2)-c3c(sc(n3)C)Br	1066
+c1cc(ccc1Oc2cc(cnc2N)Br)C#N	301
+c1cc(ccc1C(CBr)=O)S(=O)(=O)C	288
+c1cc(ccc1C(C(Br)c2c(cccc2F)Cl)=O)F	5138
+CC(C)(c1cc(Br)c(CC(C)CCl)cc1)CCCC	63
+CC(C)CC(c1cc(c(cc1)O)Br)C(OCC)=O	63
+c1cc(ccc1NC(=O)C)C(=O)C(CC)Br	504
+c1cc(ccc1C)C2C(C)(C)Oc3c(C)c(C)c(Br)c(c23)C	63
+c1cc(ccc1C(C)C)C2COc3c(c(c(c(C)c23)Br)C)C	63
+c1cc(ccc1C)CC(OCC)CBr	1224
+C(OCC)(Cc1ccc(c(Br)c1)O)=O	63
+c1cc(ccc1CCC(CBr)=O)[N+]([O-])=O	400
+c1cc(ccc1CC(C(=O)c2cccc(Cl)c2)Br)Cl	504
+c1cc(ccc1CCc2cc([nH]c2Br)C(=O)O)Cl	5139
+c1cc(ccc1Cc2c(cc(c(Br)c2)OC)C)C	63
+c1cc(ccc1F)Cc2ccc(Br)o2	5140
+c1cc(ccc1Cl)Oc2cc(c(cc2)C(CBr)=O)CCC	288
+c1cnccc1CNc2nc3c(nc(Br)n3Cc4ccc(cc4)CO)c(N)n2	1065
+c1cc(ccc1N2N(C)C(CBr)=C(C3CC3)C2=O)F	3184
+c1cc(ccc1N2C(=O)c3c(N=C2C(Br)C)cccc3)F	1070
+c1cc(ccc1F)N2C(C=CN=C2C(C)Br)=O	1070
+c1cc(ccc1C(CBr)=O)NC(=O)C	288
+c1cc(c(Br)cc1CCCC)NC(C)=O	63
+c1c(Br)c(ccc1C(=O)OC)O	63
+c1c(ccc(c1Br)O)C(=O)C	63
+C(OC(CCCc1ccc(c(Br)c1)O)=O)C	63
+c1cc(cc(Br)c1OC)OC(C)=O	63
+c1cc(ccc1OC)-c2c3c(-c4cc(Br)sc4C3)n[nH]2	1069
+c1cc(ccc1OC)-c2nc(C)oc2Br	5141
+c1c(OC)c(cc(-c2sc(c(C)c2C)C(=O)OC)c1)Br	63
+c1cc(ccc1OC)CN2C(=O)N(CCC)C(=C([N+](=O)[O-])C2=O)CBr	5142
+Nc1ccc(cc1Br)OC	63
+FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C	2314
+c1cc(ccc1C(CBr)=O)OCCC	288
+c1cc(ccc1Oc2ccc(cc2)[N+]([O-])=O)CBr	2316
+C1CCCCC1(Br)C(=O)c2ccc(cc2)SC	1788
+c1([N+]([O-])=O)cc(Br)c(cc1)O	63
+Nc1ccc([N+]([O-])=O)cc1Br	63
+c1cnccc1-c2c(ncc(N(C)C)n2)Br	1786
+c1cc(ccn1)-c2nn(cc2Br)C	635
+COc1c(Br)cc(Br)cn1	301
+c1ccc2c(c1)c(c3c(cccc3)c2-c4ccc(C)c5c4cccc5)Br	63
+c1ccccc1-c2c(ccc(Br)c2Cl)SC	63
+c1ccccc1-c2c3c(sc2Br)nc(nc3)Cl	1069
+c1cc(ccc1)-c2n3ccc(Br)cc3c(c2Cc4cccc(F)c4C)C(=O)OC	5143
+c1cc(ccc1)-c2c(Br)c(Cl)nc(n2)N	1225
+c1ccccc1C(=O)C=2C(N(C(=O)N(C=2CBr)C)C)=O	3184
+CC(C)(C(=O)C(=O)O)c1ccc(cc1)Br	63
+c1cc(ccc1)C2(CCC2)C(=O)CBr	400
+c1cc(ccc1)C2CN(C)CCc3c2sc(c3Br)CO	1789
+CC(C)C(C=1N(C(=O)c2nc3c(nc2N=1)cccc3)Cc4ccccc4)Br	1070
+c1ccccc1CN2C(C(CC)Br)=Nc3onc(C)c3C2=O	1070
+c1ccccc1COc2c(C)cc(c(C=O)c2)Br	63
+c1ccccc1COc2ccc(O)c(c2)Br	63
+c1ccccc1COc2c(c(cc(Br)c2)C)N	63
+c1cc(ccc1)Cn2c3nc(N(C)C)nc(N)c3nc2Br	1065
+c1cc(ccc1)Cn2c3nc(nc(N)c3nc2Br)NCCOC	1065
+c1(cc(Br)cnc1OC)OC	301
+c1(C)c2c(c(ncc2Br)O)ccc1	301
+c1cnccc1-c2nc(ccc2Br)NCC(N)Cc3ccccc3	301
+c1(c(nn2c(ncc2Br)c1)Cl)C	3185
+n1c(ccc2ncc(n12)Br)F	3185
+n12c(c(Br)cn1)nc(Cl)cc2	3186
+n12c(c(Br)cn1)nc(NCCOC)cc2	3186
+n1[nH]c2cnc3c(cc(OC)c(c3)OC)c2c1Br	5144
+n1(C)ncc(C(CBr)=O)c1	288
+c1c(cc2c(C(=O)O)n[nH]c2c1)Br	63
+n1c(C#N)c(Br)c(C)n1CCCC	635
+c1(c(nc(nc1CC)N)N)Br	1225
+Nc1c(nc(OC)cc1)Br	1068
+Cc1nccc2c3cc(ccc3[nH]c12)Br	63
+n1ccnn1-c2c(C(N3CC(CCC3C)C(CBr)=O)=O)cccc2	400
+n1n(c(C)c(Br)c1C#N)C	635
+n1nsc(c1C)C(=O)CBr	288
+c1(cc(Br)c(Cl)s1)C(=O)OC	1789
+c1(C(=O)O)cc(Br)c(C)s1	1789
+C(Br)CCCCOCCCCBr	114
+C(Br)CCCOCCCBr	114
+C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O	114
+C(C)OC(C1(Oc2cc(ccc2CC1)OCCCBr)CC)=O	114
+C(CCCCCCCCCCCCBr)CCCCOC(C)=O	114
+C(CCCCBr)SCC(=O)N(C)CCCC	114
+n1c(c2c(nc1NCc3ccc(c(Cl)c3)Cl)ncn2CCCCBr)O	114
+C(CCCBr)CN(C(Nc1c(F)cc(cc1)F)=O)CCCCCCC	114
+C(CCCCBr)(NCCCCCBr)=O	114
+BrCCC1CCCOC1	114
+BrCCCC1CCOC1	114
+Nc1c2n(c(CCCBr)cc2Br)ncn1	114
+C(c1c(Cl)ccc([N+]([O-])=O)c1)Br	302
+C(Br)c1cc(c(Cl)cc1F)OC	302
+C(c1ccc(F)c(F)c1C)Br	302
+C1CC(CC1CBr)CC	114
+C1CCCCC1OCCBr	114
+C1CC(CCC1CCCCC)CBr	114
+c1nc(ncc1)NC2CCC(CC2)CCBr	114
+C1CC(CCC1c2ccc(cc2)-c3ccc(cc3)CBr)CCCCC	302
+C1CC(CCN1c2nc(CN3CCCC3=O)nc4c2c(cs4)-c5ccccc5)CBr	114
+C1CC(CCC12C(=O)C(c3cc(ccc3)C)=C(O2)c4cn5ncnc5cc4)Br	5145
+C1COCCC1Nc2c3c(n(nc3)CC)nc(c2CNC(=O)c4ccc(cc4)CCCCCCCCBr)CC	114
+CC(C)(Cc1ccc(cc1)CCBr)C(=O)OC	114
+CC(C)(C)OC(=O)COCCCCBr	114
+CC(C)(C)OC(=O)NC(CCBr)C(OC)=O	114
+CC(C)(C)OC(NC(Cc1cnccc1)CBr)=O	114
+CC(C)(C)OC(N1CC(CC1)NC(=O)COCCBr)=O	114
+CC(C)(C)OC(NC(CCC(=O)OC1CCCCC1)CBr)=O	114
+CC(C)(C)OC(NC(C)CCCBr)=O	114
+CC(C)(C)OC(NC(CBr)C)=O	114
+CC(C)(C)[Si](C)(C)OCc1cc(cc(c1)CBr)Br	302
+CC(C)(CC(Nc1ccc(cc1)CBr)=O)C=2C(=O)C(C)=C(C)C(=O)C=2C	302
+CC(C)(c1nc(CBr)ccc1)OC	1790
+CC(C)c1n(CCCCCBr)c2ccccc2n1	114
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cc(CBr)ccc4)nc12	302
+CC(C)n1ncc2c(cc(nc12)-c3ccc(cc3)CBr)C(NCc4c(nc(C)cc4C)O)=O	302
+CC1(C)C(N(CCBr)c2cc3c([nH]c(n3)-c4cc([nH]n4)C)cc12)=O	114
+BrCCCSCCCCCCCCCCCC	114
+Cc1cccc(C)c1COc2cccc(c2C)CBr	302
+Clc1cc2c(cc1)C(CBr)CC2	114
+c1c(C)cc(nc1Cl)Br	5146
+FC(F)(F)c1cc(CBr)c(-c2c(OC)ccc(c2)-c3ccc(C(=O)OC)cc3C)cc1	302
+N1(C(=O)C)c2cc(C)cc(C)c2C(C1)CCBr	114
+O(C)C(c1sc(cc1)C#CCBr)=O	5147
+O(C)c1c(c(O)c2C(OCc2c1C)=O)CC=C(CBr)C	5148
+O(CC1C(CC=CC1)CBr)C(=O)C	114
+O(c1c(cccn1)CBr)C	3187
+O1C(c2c(cc(cc2)CCBr)C1)=O	114
+BrCc1ccnc(c1)C(=O)N	302
+O=C(c1cc(cc(C(=O)OC)n1)CCCBr)OC	114
+c1ccccc1COC(=O)CN2C(c3c(cc(N(S(=O)(=O)C)CCBr)cc3)C2=O)=O	114
+Oc1ccc2C(CCCCCCBr)=C(CCCc2c1)c3cc(ccc3)O	114
+S(c1ccc(cc1F)CBr)C	302
+c1(ccc(C)n1C(C)CBr)C	114
+c1(CBr)c(Cl)nc2c(cccc2)c1	3187
+c1(cc(ccc1F)Br)COCCCCBr	114
+c1(cc(ccc1[N+]([O-])=O)CBr)OC	302
+c1(cccc(C)c1CCCBr)C	114
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCBr	114
+c1(nc(CBr)ccc1)N2CCCC2=O	1790
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4CCC(CC4)(c5ccc(cc5)Br)CBr	114
+c12c(NC(=O)N1CCCBr)cc(C=O)cc2	114
+C1CCc2c1cc(c(I)c2)CBr	302
+c1[nH]c2c(c1CCCBr)cc([N+]([O-])=O)cc2	114
+c1c(C)c(c(cc1-c2nc(O)c3c(OC)cc(OC)cc3n2)C)OCCCBr	114
+c1(cc(cc(Cl)c1NCC(OCC)=O)CCBr)Cl	114
+c1c(OC(C)=O)cc(cc1)CCCCBr	114
+c1c(OC)c2oc(CBr)cc2c(c1)Br	5149
+c1c(OC)ccc2c(c(C(CCBr)CCCC)sc12)C	114
+c1c(OCCBr)cc(c(OC)c1)OC	114
+C(c1c(C#N)ccc(CBr)c1)#N	302
+c1c(c([N+]([O-])=O)ccc1)CCBr	114
+c1c(cc(CBr)c(F)c1)Br	302
+c1c(ccc(OCCBr)c1F)F	114
+c1cc(CCBr)c(cc1F)[N+]([O-])=O	114
+c1cc(CBr)ncc1Br	1790
+c1cc(c(CBr)cc1Br)OCc2cccs2	302
+c1cc(cc(C)c1OCC(OCC)=O)CBr	302
+c1cc(ccc1)-c2nc(nc(OC)n2)-c3c(Cl)ccc(CBr)c3	302
+c1cc(ccc1)-c2ncc(N(C(C)C)CCCCBr)nc2-c3ccccc3	114
+c1cc(ccc1)C2=C(c3c(CCC2)cc(O)cc3)CCCCCCBr	114
+c1cc(ccc1)Cn2nc(c(c2)CBr)[N+](=O)[O-]	5150
+c1cc(ccc1-c2c(sc(n2)NC(=O)C)-c3ccc(cc3)S(=O)(=O)C)CCCBr	114
+c1cc(ccc1C#N)CCCBr	114
+c1cc(ccc1C)-c2oc(C)c(n2)Cc3cccc(CBr)c3	302
+c1cc(ccc1CCCBr)CCc2nc(NC(=O)C)sc2	114
+c1cc(ccc1OCCOCc2cc(ccc2)C#N)CCBr	114
+c1cc(ccc1CCc2nc(NC(=O)C)sc2)CCBr	114
+c1cc(ccc1CCCOCc2ccccc2)CBr	302
+c1cc(ccc1NC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)CBr	302
+c1cc(ccc1CBr)OP(OCC)(OCC)=O	302
+C1CC(CCC1)C(CBr)n2c3cc(F)c(cc3nc2-c4ccc(cc4)Cl)F	114
+c1cc(ccc1F)CCc2c(cc(CBr)cc2)C(OC)=O	302
+c1cc(ccc1F)N2CC(CBr)CC2=O	114
+c1cc(ccc1OC(=O)C)CBr	302
+c1cc(ccc1CCCBr)OCC(=O)OC	114
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=O)(=NCCBr)C	114
+c1ccccc1COc2ccc(cc2)SCCCBr	114
+c1ccccc1-c2ccc(cc2)CCCCCBr	114
+c1ccccc1-n2cc(C)c(CBr)n2	1790
+c1ccccc1C(N2C(CC(C2)(CCBr)COC)=O)C	114
+c1ccccc1COC(N2CCCCC2CCCBr)=O	114
+c1ccccc1COCCCCCBr	114
+c1ccccc1COc2ccc3c(c2)OC(=O)C=C3CCBr	5151
+c1ccccc1OCCCOCCOCCCBr	114
+O1CC2(COC1(OC2)C3CCC(CC3)C=C(Br)Br)CCC	5152
+BrC1(Br)CC1(CCOC(C)OCC)Br	3188
+BrC1(Br)CC1(COCCCCCC)Br	3188
+C1CC1(c2c(Cl)nc(Cl)cc2)C#N	5153
+C1CC12C(Nc3c(cccc23)F)=O	5154
+c1(C=O)cc(c(F)cc1)OCCBr	5155
+BrC(Br)COc1cc2c(cc1OC)ncnc2Nc3cc(ccc3)Br	1791
+BrC(Br)COc1ccc([N+](=O)[O-])cc1-n2cccc2	1791
+c1(cc(ccc1)Nc2c3c(cc(OC)c(OCCBr)c3)ncn2)Br	3189
+c1cccn1-c2c(OCCBr)ccc([N+](=O)[O-])c2	3189
+FC(F)Oc1n(C)nc(-c2cc(C=O)c(cc2Cl)Cl)c1Cl	5156
+O=Cc1ccc(C(=O)O)cc1F	5157
+Nc1nc(c(-c2cc(F)ncc2)s1)-c3cc(C)ccc3	5158
+N1c2c(CC1=O)cc(Br)cn2	5159
+c1ccccc1S(=O)(=O)OCCC2(CC2(Br)Br)Br	1226
+Nc1c(c2OCC3C(c2c(F)c1)C3)C(=O)OC	5160
+BrC1(Br)C(CCO)(Br)C1	5161
+C(CCOCC=1CC=1)CCC	5162
+c1cc(ccc1)C=2C(=C(C#N)C(N(c3c(cccc3)C)C=2)=O)Cl	5163
+CC1(C)C(C)(C)OB(O1)C=2C(N(C)c3c(cnc(n3)NC)C=2)=O	5164
+C(C=1N=C2SC=C(C)N2C(C=1Br)=O)(C)N=[N+]=[N-]	5165
+CC(C)(C)[Si](C)(C)OC1CC(=C)C(=C1C)CC=C	5166
+C(c1ccc(c(F)c1OC)F)(=C)CC	5167
+c1(OCC#CC)c2ccccc2c(C=O)c(C)c1	3190
+c1cc(ccc1Cc2c(Cl)cc(CCCOCC#CC)c(Br)c2)OCC	5168
+c1cc(ccc1OCC#CC)C(=O)OC	3190
+O(CC(=C)Br)CCCCCC	5169
+CCN(CC)C(CBr)=O	1227
+c1(cc(I)ccc1NC(CBr)=O)C(=O)c2ccccc2Cl	829
+C1CN(CCO1)C(CBr)=O	1227
+CC(C)(C)OC(NC(C)(C)CN(c1ccccc1C)C(=O)CBr)=O	2317
+CCCCN(C)C(=O)CBr	1227
+c1(cc(Cl)c(OC)cc1OC)NC(CBr)=O	829
+Clc1cc(c(cc1)C(=O)O)NC(CBr)=O	829
+NC(=O)c1c(sc2c1CCCC2)NC(CBr)=O	3191
+Clc1c(C(=O)O)c(ccc1)NC(CBr)=O	829
+c1(OC)cc(cc(OC)c1OC)NC(=O)CBr	829
+c1ccccc1CNC(=O)CN2CCc3c(cc(OC)c(c3)OC)C2Cc4cc(c(cc4)O)OC	5170
+c1c2c(ccc1C(CBr)=O)N(CC2)C(=O)C	1792
+N(CCOCCOCCOCCNC(=O)CBr)C(CCCCC(=O)O)=O	5171
+c12c(C(=O)NCCO)c(sc1CCCC2)NC(CBr)=O	3191
+BrCC(Nc1cccc(c1)F)=O	829
+c1ccccc1Oc2c3c(ccc2Br)OCC(=O)N3	5172
+c1cc(ccc1)COC(Nc2ccc(cc2)CN3c4c(N(C5C(C3=O)CCC5)C(CBr)=O)cccc4)=O	2317
+CC(C)N(c1ccc(cc1)C)C(=O)CBr	2317
+C1CC(CCC1CC(=O)OCC)c2ccc(cc2)C(CBr)=O	1792
+c1cc(ccc1)CN(C(C)C)C(CBr)=O	1227
+c1ccccc1COc2nn3c(c2)CN(C(=O)CBr)CC3	1227
+CC(C)(C)OC(=O)NCCCNc1scc(C(=O)c2c(cccc2)C)n1	5173
+CC(C)(C)OC(=O)N1CC2(C1)CCN(CC2)C(CBr)=O	58
+CCOC(OCC)CCN(C(=O)CBr)CC1OCCO1	58
+O=S(=O)(c1ccccc1-c2ccc(c(c2)F)NC(=O)CBr)C	26
+c1(OCCC)ccc(C(=O)CBr)cc1-c2nc(c3c(c(nn3C)CCC)n2)O	94
+CC(C)c1ccc(cc1)-c2c(cccc2C)C(Nc3cnc(N4CCN(CC4)CC(N)=O)cc3)=O	1228
+c1(cc(c2c(c(sc2n1)C(=O)N)N)C(=O)OCC)C	3192
+Cc1cc(n[nH]1)Nc2c(cnc(Nc3c(C)cc(c(c3)C)C4CCCCN4CC(N)=O)n2)Cl	1228
+Cc1cccc(C)c1-c2nc(C)c(c(N3CCN(C(C3)C)CC(=O)N)n2)COc4cc(ccc4C)C(C)C	1228
+c1cc(OCC(N)=O)c(C#N)cc1Br	3193
+c1cc(ccc1Br)C2CC2NCC(N)=O	1229
+C1CN(CCN1c2c(cccc2)F)C(=O)c3cn(CC(=O)O)c4cc(ccc34)Cl	256
+c1cc(ccc1Cl)C(Nc2scc(n2)CC(N3CCN(CC3)C(CBr)=O)=O)=O	10
+CC(C)(C)OC(=O)N1CCC(CC1)OCC(=O)O	337
+FC1(F)Oc2c(O1)cc(N(C(=O)CBr)CC)cc2	429
+O=C(CBr)N(c1ccc2nc(oc2c1)C)C	3194
+O(c1cccnc1Br)CC(=O)OC	1456
+C(CSC)N(CCSC)CC(OC)=O	303
+C1(N)Cc2ccccc2N(CC(=O)OC)C1=O	933
+c1c2CCCC(N(C)Cc3n(c4c(n3)cccc4)CC(=O)OC)c2ncc1	1457
+C1C2CC3CC(CC1C3)C2OC(=O)N4CCC(CC4)(COCC(=O)OC)c5ccccc5	337
+c1cc(ccc1)COC(N2CCC(N(CC(OC)=O)C3CCCCC3)C2)=O	303
+C1CC(CCC1O)Nc2nc3c(c(ccc3cn2)C)OCC(=O)OC	1456
+FC1(F)CCN(CC1)CC(=O)OC	303
+C1CC1NC(c2cc(-c3cc4c(cc3)n(nc4)CC(OC)=O)c(C)c(F)c2)=O	1458
+C1CN(CCC12CCc3ccccc23)CC4C(N(CC(OC)=O)c5c(cccc5)C4)=O	933
+C1CN(CCC1CN(CC(=O)OC)C2CCC2)c3c4c(csc4ncn3)-c5ccccc5	303
+C(CC1C(CCCCC1)=O)(OC)=O	5174
+C1CC(CCN1CC(=O)OC)O	303
+C1CN(CCC1Oc2ccc(cc2)-n3c(nc4cnccc34)-c5nonc5N)CC(=O)OC	303
+C1c2c(cccc2CCC1)OCC(OC)=O	52
+CC(C)(C)OC(=O)N1CC(N(Cc2ccc(cc2)Cl)CC(OC)=O)CC1	303
+CC(C)(C)OC(N1CC(N(C(=O)C12COCCOC2)CC(OC)=O)c3cccc(F)c3)=O	584
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(-c3ccc(cc3)OC)c(n2CC(OC)=O)-c4ccc(cc4)OC	5175
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC(=O)OC)C	52
+CC(C)(C)OC(=O)NC1C(=O)N(CCCC1)CC(OC)=O	584
+CC(C)(C)OC(=O)NC1CN(c2cc(OCC(OC)=O)ccc2)CCC1	52
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(cc2)OCC(OC)=O)c1-c3ccc(cc3)C)=O	52
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)OCC(=O)OC	52
+CC(C)NCC(OC)=O	1459
+CC(C)C1C(=O)N(CC(OC)=O)c2c(c(C(C)C)ccc2)O1	933
+c1(C(=O)C)c(ccc(OC)c1)OCC(OC)=O	52
+Clc1c([N+]([O-])=O)cc(OCC(OC)=O)cc1	52
+Clc1ccc(c(C=O)c1)OCC(OC)=O	52
+FC(F)(F)C1CCN(CC1)CC(=O)OC	303
+FC(F)(F)c1c(Br)ccc(NCC(=O)OC)c1	1230
+FC(F)(F)c1ccc(cc1)-c2nc(n(-c3ccc(cc3)NCC(=O)OC)c2)Cc4ccc(cc4)Br	5176
+FC(F)(F)c1cc(ccc1)N2C(=O)N(C(C3=C2CCCC3=O)c4ccc(cc4)C#N)CC(=O)OC	5177
+N#Cc1ccccc1OCC(OC)=O	52
+C(C(=O)OC)NCCNC(c1nc(c(nc1N)N)Cl)=O	1459
+Nc1cc(OCC(OC)=O)ccc1F	52
+c1cc(c2c3c(n(c2c1)Cc4c5ccccc5ccc4)cccc3OCC(OC)=O)C(=O)N	52
+O(CC(=O)OC)Cc1nccs1	337
+Clc1cc(cc(Cl)c1)-c2cn(CC(=O)OC)cc2C#N	2318
+c1cccc(c1OCC(OC)=O)Oc2cc(ccc2[N+](=O)[O-])F	52
+C=CC(c1c(OCC(OC)=O)c([N+]([O-])=O)ccc1)C	52
+c1(cccc(OCC(OC)=O)c1)Br	52
+c12c(cc([N+]([O-])=O)cc1)ccn2CC(OC)=O	256
+Cc1cc(cc(C)c1OCC(OC)=O)Br	52
+Cc1cc(cc(C)c1OCC(OC)=O)C=O	52
+c1(cc(C)cc(C)c1OCC(OC)=O)-c2occc2	52
+c1c(CO)c(c(OCC(OC)=O)cc1)Cl	52
+c1(cc(cc(Cl)c1)Oc2c(CC)nn(c2CC)CC(OC)=O)Cl	764
+c1c(c(OCC(OC)=O)c([N+]([O-])=O)cc1)CC=C	52
+c1c(c(ccc1)F)-c2ncc(OCC(OC)=O)cc2	1456
+c1c(OCC(OC)=O)c(cc(c1)C(=O)C)Br	52
+C1Cc2c(cccc2)N1CC(=O)OC	2319
+O(CC(=O)OC)c1cccnc1	1456
+c1cc(ccc1)-c2cc(nc3ccccc23)-c4ccc(cc4)OCC(OC)=O	52
+c1cc(ccc1)C(Oc2cc(c(cc2)OCC(OC)=O)[N+](=O)[O-])=O	52
+c1cc(ccc1)C=CC(=O)Nc2cc(ccc2)OCC(OC)=O	52
+c1cc(ccc1)COc2cc(OCC(=O)OC)cc(c2[N+](=O)[O-])OC	52
+c1cc(ccc1)Cc2c3cc(ccc3n(C)c2C)-c4ccc(cc4)OCC(OC)=O	52
+c1ccccc1Cn2c3c(c4c(OCC(=O)OC)cccc24)c(ccc3)C(N)=O	52
+c1cc(ccc1)Cn2c3cc4CCCCc4c(OCC(=O)OC)c3c5c(cccc25)C(N)=O	52
+c1cc(ccc1-c2c3c(n(C)c(-c4ccccc4)c3C)ccc2)OCC(=O)OC	52
+c1cc(ccc1-c2nc(-c3ccc(cc3)F)n(CC(=O)OC)n2)F	5178
+c1cc(ccc1-n2cccn2)Cc3c(c4c(nc3O)c(Cl)ccc4OCC(=O)OC)C	52
+c1cc(ccc1Cc2c(nn3c2nc(cc3C)C)CC)OCC(OC)=O	52
+c1cc(ccc1N(C)c2c3c(nc(C)n2)cccc3)OCC(OC)=O	52
+c1cc(ccc1OCC(OC)=O)N=Nc2ccc(cc2)CO	52
+c1cc(ccc1OCC(=O)OC)CCCO	52
+c1cc(ccc1OC)C(=O)c2ccc(cc2)OCC(=O)OC	52
+c1cc(ccc1Cl)Oc2c(C)n(c3ccc(SC)cc23)CC(OC)=O	256
+c1cc(ccc1SC)C(C(C)CC(OC)=O)=O	5179
+c1ccccc1CN2C(=O)c3ccccc3C(=N2)Cc4c(C)n(c5ccc(Cl)cc45)CC(OC)=O	256
+c1ccccc1COc2ccc3c(c(C(C)=O)nn3CC(OC)=O)c2	1458
+c1cc(ccc1)Cc2cn(CC(OC)=O)c3c2cccc3	256
+c1ccccc1Cn2c(ccc2-c3cc4ccc(cc4cc3)OCC(OC)=O)-c5ccccc5	52
+c1ccccc1Cn2c(cc3c2cccc3OCC(OC)=O)C	52
+c1cc(ccc1)OCC(=O)c2c(c3ccccc3o2)C	702
+Ic1cc(CO)nc(Cl)c1OCC(C)=C	5180
+C=C(C)COc1cc(C)cc(C)c1C	2320
+c1cc(ccc1)-c2cc(ccc2)C(CC(=C)C)C(O)=O	5181
+c1cc(ccc1Br)OCC(=C)C	2320
+c1cc(ccc1OCCOCCCC)-c2cc3c(cc2)N(CC(C)=C)CCCC(=C3)C(=O)OC	5182
+c1ccccc1COc2ccc(Br)c(OCC(=C)C)c2	2320
+FC(F)(F)c1cc(c(c(SC)c1)C(NC2CCCCC2N3CCC(O)C3)=O)OC	1793
+C(C(CCCC)COCCCCCCCCCCO)C	176
+C(#N)CC(CCCC)CC	830
+C(COc1ccc(cc1[N+]([O-])=O)C)(CCCC)CC	8
+C(c1cscc1)C(CCCC)CC	5183
+c1(nn(cc1)CC(Nc2cccc(c2)F)=O)[N+]([O-])=O	1460
+c1cc(ccc1OCC(c2cccnc2C)=O)CC(=O)OC	702
+COc1cccc(c1)SCC(c2cccnc2)=O	5184
+c1cc(ccc1CC(OCC(c2cccnc2)=O)=O)OCc3ccc4ccccc4n3	1231
+n1c(Br)cc(-c2csc(n2)Nc3cccc(C)c3)cc1	354
+C1CC1(c2c(Cl)c(C(=O)OC)ccc2)C#N	934
+c1cc2c(OCCO2)c(c1C(OCC)=O)[N+](=O)[O-]	3195
+C1COCCN1c2cc(c([N+](=O)[O-])cc2)OCCBr	8
+CC(C)(Oc1ccc(cc1C)OCCBr)C(OC)=O	8
+CC(C)(C)C1CCC(CC1)c2cccc(NC(=O)Cc3cc(c(cc3)OCCBr)OC)c2	8
+CC(C)(C)OC(NCCOc1ccc(cc1OC)N2C(c3cc(-c4ccc(cc4)Cl)cn3CC2)=O)=O	5185
+CC(C)(C)OC(=O)N1CCOc2ccc(Br)cc12	5186
+CC(C)(C)c1cc(cc([N+](=O)[O-])c1OCCBr)C(=O)C	8
+CC(C)(Oc1c(C)cc(c(C)c1)SCCBr)C(=O)OC	636
+c1c(cc2c3c4c(ccc3n(CCBr)c2c1)C(CC4)=O)C(C)=O	935
+C1CC1(C#N)c2c(Cl)cc(cc2Cl)Cl	934
+c1c(ccc(Cl)c1F)OCCBr	8
+FC(F)(F)C(=NOCCBr)c1ccccc1	1071
+FC(F)(F)COc1ccccc1OCCBr	8
+FC(F)(F)c1nc(cs1)-c2ccccc2OCCBr	8
+FC(F)Oc1ccc(cc1-c2c(NC(=O)c3c4n(cccn4)nc3)cn(n2)CCBr)Cl	338
+C(#N)C(C#N)=C1N(CCN1CCCO)CCBr	5187
+C1CC1(c2ccnc(c2)Br)C#N	934
+Nc1ccc(OCCBr)cc1[N+]([O-])=O	8
+O(C(=O)CCCN(CCC1Cc2c(cccc2)OC1)CCBr)CC	28
+O=S(=O)(Cc1c(cc(C(Nc2ccc(Cl)c(-c3ccccn3)c2)=O)cc1)OCCBr)C	8
+O=S(=O)(N1CCOc2ccc(cc12)C(OC)=O)c3cc(Cl)ccc3OC	5188
+c1cc2c(cc1C(OCC)=O)OCCO2	3195
+c1c(c(ccc1)OCCBr)Br	8
+c1([N+]([O-])=O)cc(OCCBr)c(cc1)C#N	8
+C1CC1(c2cc([N+]([O-])=O)ccc2)C#N	934
+c1(OCCBr)cccc2nc(C)ccc12	8
+c1(OCCBr)cccc2c1ccc(C#N)n2	8
+c1(cc(cc(Cl)c1OCCBr)Cl)Cl	8
+c1cc(OCCBr)cc([N+]([O-])=O)c1OCC(OC)=O	8
+C1CC1(C(Nc2c(C)cc(cc2)Br)=O)C(OCC)=O	5189
+c1cc(c(cc1Br)C=O)OCCBr	8
+c1cc(OCCBr)c(N)cc1Br	8
+C1CC1(c2ccc(Br)cc2F)C#N	934
+c1c2cccnc2ccc1OCCBr	8
+c1cc(ccc1)C(=NOCCBr)CC(C)C	1071
+c1cc(ccc1)CC2COC(=O)N2C(CC(c3nocc3)c4ccc(cc4)OCCBr)=O	8
+C1CC1(c2ccc(cc2)Br)C#N	934
+c1cc(ccc1Br)OCCBr	8
+c1cc(ccc1C(c2cccs2)=O)C3(CC3)C#N	934
+c1cc(ccc1OCCBr)C=O	8
+C1CC1(c2ccc(cc2)C(O)=O)C#N	934
+c1cc(ccc1F)-c2cc(C(=O)OCC)n(n2)CCBr	338
+c1cc(ccc1C#N)OCCBr	8
+c1cc(ccc1OCCBr)CC=2c3ccc(cc3OC(=O)C=2c4c(Cl)cc(Cl)cc4)OC	8
+c12ccccc1OCCN2	5190
+c1ccc(cc1C(=O)OC)OCCBr	8
+c1ccccc1COc2cc(N3C(=O)C4(CC4)c5c(nc(-c6ccc(OC)c(c6)F)nc35)C)ccc2	5191
+c1c(OC(CCBr)C(OC)=O)ccc([N+]([O-])=O)c1F	289
+C1OCCCC1CCn2c(OC)nc3c2nc(nc3N)OC(CCC)C	5192
+C(OC(CC1c2c(cc(cc2)OCCCBr)CC1)=O)C	8
+C(c1c(OCCCBr)c(cc2CCC(C)(Oc12)CCC(OCC)=O)C(=O)C)CC	8
+C(c1c(ccc(c1OCCCBr)C(=O)C)OCC(OCC)=O)CC	8
+CC(C)(C)OC(N1CCN(CC1)CCCBr)=O	28
+CC(C)(C)OC(=O)n1cc(C2(CCC2)C#N)c3cc(C(OC)=O)ccc13	5193
+CC1(C)C(c2c(C1)c(ccc2)OCCCBr)N3CCCCC3	8
+C1CCC1(c2cccc(OC)c2)C#N	3196
+c1c(Cl)cc(cc1Sc2n(CCCBr)c3c(n2)c(ncn3)N)Cl	637
+Clc1ccc2c(cc(C(=O)OCC)n2CCCBr)c1	339
+FC(F)(F)COc1c(Br)cc(C2(CCC2)C(=O)OCC)cc1Cl	5194
+FC(F)(F)c1c(cnn1-c2cccc(-c3cc(F)ccc3CCc4ccc(cc4C)OCCCBr)n2)C(=O)OCC	8
+FC(F)(F)c1cc(ccc1)N=C2c3ccccc3N(c4ccc(cc4)OCCCBr)C2=O	8
+FC(F)(F)c1c2c(c(c(cc2)OCCCBr)CCC)on1	8
+CN(c1cc(ccc1)OC)CCCBr	936
+C(Oc1ccc(N)c([N+]([O-])=O)c1)CCBr	8
+O(CC)C(C(O)c1cccc(OCCCBr)c1)=O	8
+C1CCOc2c(cc(C=O)cc2O1)Cl	5195
+O=S(=O)(N(CCCBr)CC)c1ccccc1[N+](=O)[O-]	831
+O=S(=O)(N(CCCBr)CCC)c1c([N+](=O)[O-])cccc1	831
+C(COc1ccccc1NC(c2c3c([nH]cc3)ccc2)=O)CBr	8
+Cc1cc(cc(C)c1OCCCBr)-c2nc3c(o2)nc(Cc4ccc(cc4)Cl)nc3OCCC	8
+C(Oc1c(Cl)cc(CO)c(c1)OC)CCBr	8
+C(Oc1cccc([N+]([O-])=O)c1)CCBr	8
+C(Oc1ccc(c([N+]([O-])=O)c1)C)CCBr	8
+C(Oc1cc([N+]([O-])=O)ccc1Cl)CCBr	8
+C(COc1cc(nc2ccc(cc12)OCCCC(OCC)=O)C)CBr	8
+C1C(CC1)(C#N)c2cc3c(cccc3)cc2	3196
+C(Oc1cccc(CC)c1)CCBr	8
+c1cc(C)cc(OCCCBr)c1OC	8
+C(Oc1cc2c(n(CC(OC)=O)cc2)cc1)CCBr	8
+c1cc(ccc1OCCCBr)Br	8
+c1cc(ccc1C(OCC)=O)-c2ccc(OCCCBr)c(-c3ccc4C(C)(C)CCC(C)(C)c4c3)c2	8
+c1cc(ccc1Cc2c(OCCCBr)cccc2)C(N(CC)CC)=O	8
+c1cn(c2cccc([N+]([O-])=O)c12)CCCBr	339
+c1cc2c(cc1)n(c3ccccc23)CCCBr	935
+C1CC1CCOc2nc3n(CCCC4CCOC4)c(OC)nc3c(n2)N	637
+N#CC1(C#N)CCCC1	5196
+c1(ccc(c(O)c1CCC)C(=O)C)SCCCCBr	636
+C1CC1COc2c([N+](=O)[O-])ccc(c2)C3(CCCC3)C(OCC)=O	3197
+N1(CCCC1=O)CCCCBr	638
+C1CCN(C1)Cc2c(N3CCN(CC3)C)c(C)cc([N+]([O-])=O)c2	1793
+C1OC(CCC1)OCC=2OC=C(OCCCCBr)C(=O)C=2	3198
+C(Br)CCCOCCCCCOC1CCCCO1	176
+C(Br)CCCOCCCOC1OCCCC1	176
+CC(C)(C)OC(=O)NC1CCC(CC1)N2CCCC2	1793
+CC(C)(C)OC(c1ccc(cc1)CCCCOCCCCBr)=O	176
+CC(C)(C)OC(=O)N1CCc2cc(OCCCCBr)ccc12	8
+CC(C)(C)OC(N1c2c(cc(OCCCCBr)cc2)CCC1)=O	8
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)OCCCCBr	8
+CC(C)(C)c1cc(ccc1N2CCCC2)Br	2321
+CC(C)CCCC(CCOCCCCBr)C	176
+CC(C)Oc1c(C#N)cc(-c2onc(-c3ccc(cc3Cl)OCCCCBr)n2)cc1	8
+CC1(C)CCC(Nc2cc(ccc12)OCCCCBr)=O	8
+C1CCCN1CCc2c[nH]c(c2)C(OCC)=O	1793
+FC(F)(F)COc1c(ccc(c1)C2(CCCC2)C(OCC)=O)[N+](=O)[O-]	3197
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(OCCCCBr)c3	8
+C1CCCN1c2ccc(C#N)c(Cl)c2	2321
+O=S1(=O)C2(CC(=O)N(CCCCBr)CC1)C(CCCC2)Cc3ccccc3	638
+C1(=O)CSCN1CCCCBr	638
+C1CCC(C1)(C#N)c2cc(Cl)c(cc2)Cl	3199
+c1c2c(oc1CCCCBr)cc(C(=O)O)cc2	5197
+C1CCCN1c2c3c(ccc2)c(ccc3)OC	2321
+C(Br)CCCN1C(=O)C(=O)c2c1cccc2	3200
+C1CCC(C1)(c2c3c(ccc2)cccc3)C#N	3199
+C(C12C(=O)Nc3cccc(CCC1)c23)CCCBr	5198
+c1cc(ccc1)-c2c(c3ccccc3o2)C(=O)c4ccc(cc4)OCCCCBr	8
+c1cc(ccc1)C(C)(CCCCBr)C(=O)OCC	5199
+C1CC(CCC1COCCCCBr)CN(C)C(Oc2ccc(cc2)Cl)=O	176
+c1cc(ccc1F)-n2ccc3cc(ccc23)OCCCCBr	8
+c1cc(ccc1OCCCCBr)C=Cc2nc3c(C(N(C(N3CC)=O)CC)=O)n2C	8
+c1cc(ccc1[N+]([O-])=O)OCCCCBr	8
+c1cc(ccc1)C(=O)N2C3CCCCC3N(CCCCBr)C2=O	1794
+c1c2c(ccc1OCCCCBr)scn2	8
+c1cn(CCCCBr)cn1	541
+O(CCC#C)CCCCCCBr	176
+C(CCOCC#C)CCCBr	3201
+C(CCOCCCc1ccccn1)CCCBr	176
+C(CCOCCOc1cnccc1)CCCBr	176
+C(Br)CCCCCN(Cc1c(cccc1)OC)Cc2ccccn2	28
+C(CCBr)CCCOCCCCCCc1ccccn1	176
+C(CCOCCc1ccccn1)CCCBr	176
+c1cc(ccc1N2CCN(CC2)C(=O)C)OCCCCCCBr	8
+CC(C)(C)OC(NCCN(Cc1ccccc1OC(C)(C)C)CCCCCCBr)=O	28
+CC(C)(C)[Si](C)(C)OCCOCCCCCCBr	176
+CC(C)(C(OCC)=O)CCCCCCBr	1232
+CC(C)CCOCCCCOCCCCCCBr	176
+c1(c(OC)c(ccc1)CCCCCCBr)OC	3202
+c1cc(ccc1F)-n2ccc3cc(OCCCCCCBr)ccc23	8
+c1cc(ccc1C(OC)=O)OCCCCCCBr	8
+CC(C)(CN1C(c2[nH]c3ccccc3c2CC1C)c4c(cc(cc4F)OC5CN(C5)CCCF)F)F	28
+c1cc(ccc1F)COc2cc(F)c(N3N=NN(CCCF)C3=O)cc2	5200
+C(Sc1cccs1)CCNC(=O)C	5201
+C(OCC)(=O)C(C(OCC)=O)(NC(C)=O)CCCSCCCCCCCCCCCC	5202
+C(c1c(ccc(c1O)C=O)OCCF)CC	8
+C1CC1COc2cc3C=CN(C(=O)c3cc2)c4cc(c(N5CC6(CCN(CCF)C6)CC5)cc4)F	28
+C1CN(CCN1CCF)c2cnc([N+]([O-])=O)cc2	28
+C1CN(CCN1CCF)c2nc(C)nc(c2)Nc3sc(C(Nc4c(C)cccc4Cl)=O)cn3	28
+O=S(=O)(c1c2c(cccc2nn1C)OCCF)N=CN(C)C	8
+c1c(c(OCCF)ccc1)Br	8
+c1cc(ccc1)COC(=O)N2CC(C(C2)Nc3c(CC)nc(c(n3)CC)-c4ccc(OC)cc4Cl)OCCF	176
+C1COCCN1c2ccc3c(c2)N(C(=O)C)CC3(C)C	765
+C1CN(CCO1)c2cc(Br)c3c(nc(C)[nH]3)c2	765
+FC(F)(F)c1c(c(Cn2c3c(nc2CF)c(Br)cc(c3)N4CCOCC4)ccc1)C	765
+FC(F)(F)c1cc(N2CCOCC2)cc(Br)c1N	765
+FC(F)(F)c1c(C)c(Cn2c3cc(N4CCOCC4)cc(c3nc2C(F)F)Br)ccc1	765
+FC(F)(F)c1cc(c(C(NC2C(N3CCOCC3)CCC2)=O)c(SC)c1)OC	2322
+C1COCCC1(c2cc(F)c(c(c2)F)-c3nc(C(OC)=O)ccc3F)C#N	2323
+C1COCCC12c3ccncc3NC2=O	5203
+C1CN(CCO1)c2c(F)ncc(Br)c2	5204
+C(OCCBr)COc1ccc(C=O)c(c1)O	8
+O=S1(=O)N(c2ccccc2N1c3ccccc3F)CCOCCBr	1233
+C1COCCN1c2cc(ccc2)Br	765
+C1CN(CCO1)c2cccc(Oc3cnc(Cl)cc3)c2	765
+C1CN(CCO1)c2cccc(Oc3cc(c(Cl)nc3)F)c2	765
+C1CN(CCO1)c2cc(Br)c3nc(CF)n(Cc4cccc(Cl)c4C)c3c2	765
+C1CC(CCO1)(C#N)c2nc(-c3ccccc3)cs2	5205
+C1CC(CCO1)(c2ccc(cc2)Cl)C#N	2323
+c1cc(ccc1OCC(C)CCC)C(CN2CCOCC2)NC(=O)C(C)c3ccccc3	2322
+C1COCCN1C(C)C(OCc2ccccc2)=O	5206
+c1nc(ncc1C2(CCOCC2)C#N)C	5207
+N#CCc1c(Br)cccn1	1461
+Clc1c(OC)cc(CC#N)c(Cl)c1	163
+CC(C)(C)[Si](C)(C)OC1c2c(CCC1)cnc3cc(OCc4c([N+]([O-])=O)cccc4)ccc23	22
+CC(C)C(CN1CCC(CC1)Cc2cc(c(Cl)cc2)Cl)NCc3ccccc3[N+]([O-])=O	370
+[O-][N+](=O)c1c(CSCC)cccc1	639
+c1cc(ccc1)CN2Cc3ccc(cc3C2)C(=O)OC	3203
+C(c1cccc2c1c(C)ccc2)n3c(nc4ccccc34)SCCCC(=O)OCC	505
+N(Cc1cccc2cccnc12)=[N+]=[N-]	2324
+C1(N(C(=CC(=C1Br)OCc2ccc(cc2F)F)C)Cc3cccc(CBr)c3)=O	5208
+n1(Cc2cccc(CBr)n2)nnc3c(-c4oc(cc4)C)nc(N)nc13	5209
+CC(C)(C)OC(=O)NC(c1n(ccn1)Cc2ccccc2OC)Cc3ccccc3	371
+c1c(cc(c(c1)NC=2C(=CN(C(=O)C=2F)Cc3cnccc3)C(=O)OC)F)Br	5210
+n1c(cc(COc2c(OC)cc3c(c2)ncnc3Nc4c(cc(Cl)cc4)F)cc1)Br	22
+c1cc(ccc1-c2cc(F)c(cc2)OC)C(=O)O	5211
+C1=CC(=C(C#N)C(N1CCCC)=O)Br	5212
+C1=CC(Br)=CC(N1CCCC)=O	5213
+C(C)N1C=CN=C(Br)C1=O	3204
+C(OC(CN1C=CN=C(Br)C1=O)=O)C	3204
+C1CCN(C1)c2nncc(Br)c2	2325
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3c(C)ccc(CBr)c3)n2)=O	5214
+COc1c(cc2c(nncc2Br)c1)CC	2325
+COc1c(cc2nncc(Br)c2c1)CC	2325
+Clc1cc2c(cc1)nc(cc2Br)N	3205
+Clc1ccc2ncc([N+]([O-])=O)c(Br)c2c1F	3205
+Brc1ncc(C)cc1[N+](=O)[O-]	1462
+c1(cc(Br)[n+](c2ccccc12)[O-])[N+]([O-])=O	5215
+n12c3ccccc3nc1nc(Br)cc2	5216
+c1ccccc1-c2c(ncc([N+]([O-])=O)c2)Br	1462
+c1cc(ccc1Oc2ccc3c(Br)nc(C(OCCCC)=O)c(O)c3c2)OCCC	1462
+c1cc(ccc1Oc2ccc3c(c(nc(c3c2)Br)C(OCCCC)=O)O)F	1462
+c1ccccc1CN2Cc3ccnc(Br)c3CC2	1462
+c1cc(ccn1)-c2c(-c3cc4ccccc4cc3)nnc(c2)Br	5217
+C(Br)C=C(C[N+](=O)[O-])C	2326
+c1cccc(CCCCCCCCC)c1CBr	148
+C(Br)c1cc(c(OC)cc1F)Br	148
+C(c1ccc([N+]([O-])=O)cc1Cl)Br	148
+c1c2c(ccc1CBr)C(Cc3c(S2)cccc3)=O	148
+C(c1cc2c(cc1)cc(F)cc2)Br	148
+C(c1cc2ccc(cc2cc1)OC)Br	148
+C1CN(CCN1CC)c2c(c(Cl)ccc2)CBr	148
+C1CN(CCN1c2ccc(c(Cl)c2)CBr)CC	148
+CC(C)(C)OC(n1cnc2c(cccc12)CBr)=O	3206
+CC(C)(C)c1ccc(cc1)C=C(C)CBr	3207
+CC(C)(CCCC(CC=CC(=CCBr)C)C)OC	2326
+c1cc(ccc1CC(CBr)C)C(C)(C)CC	703
+CC(C)=CCCC(C)CC=CC(=CCBr)C	2326
+CC(C)CC(=CCCC(=CCBr)CC)C	3208
+CC(C)c1cc(cc(C(C)C)c1CBr)C(C)C	148
+CC1(C)OB(OC1(C)C)c2cc(c(F)cc2)CBr	148
+CC(CC=C(CC)C)C(CC)=CCBr	3208
+CN(C)C(c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCBr)=O	703
+O=CC=1CCc2ccc(cc2C=1Br)F	5218
+COc1cccc2nccc(Br)c12	5219
+Cc1cc(cc(C)c1Nc2sc3c(n2)cccc3CBr)C	5220
+n1c(Br)c(Cl)cc(Br)c1	3209
+Clc1cc(c(cc1)Oc2cc(ccc2OC)CC(=O)OCC)CBr	148
+Clc1cc(c(c(CBr)c1)Cl)OC	148
+Clc1cc(cc(CBr)c1)Br	148
+Clc1ccc(C=C(CCCCC)CBr)c(Cl)c1	3207
+FC(F)(F)c1c(CBr)ccc(I)c1	148
+FC(F)(F)c1c(ccc(CBr)c1)CC2CCCCC2	148
+FC(F)(F)c1cc(CBr)c(cc1)Oc2cccc(c2)C(C(=O)O)C	148
+Fc1cc(CBr)c(F)cc1Cl	148
+N#Cc1cc(F)c(cc1F)CBr	148
+O(C)CCOc1cccc(CBr)c1	148
+O=S(=O)(C)CCCOc1ncc(c(C)c1)-c2ccc(F)c(c2)CBr	148
+O=S(=O)(c1ccc(c(c1)Cl)CBr)C	148
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCBr	703
+O=S(=O)(C)c1cc(Br)ccc1CBr	148
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CBr)cc1)Br)CC	148
+[N+](c1cc(CBr)cc(Br)c1)([O-])=O	148
+c1(c(cccc1)Br)C=CCBr	5221
+c1(cc(cc(Br)c1Oc2cc(C(C)C)c(cc2)O)CBr)Br	148
+c1c(Cl)c(c(cc1OC)Cl)CBr	148
+c1cc(CCBr)cc2c1CCC2	703
+c1(nn2c(cc1)ncc2-c3cccc(Br)n3)N4CCCC4c5cc(ccc5)F	3209
+c12c(cc(c(c1)C)CBr)cccc2	148
+c1c(CBr)cnc2ccccc12	3206
+c1(cccc(C)c1-c2nc(c(cc2)F)CBr)C	2327
+c1(C)cc(cc(C)c1CBr)OCc2ccccc2	148
+c1c(C)nc(CBr)cc1	2327
+c1c(CCBr)cnc(c1)Br	703
+BrCc1c(Cl)cc(Cl)c(c1)OC	148
+c1c(CBr)cccc1O	148
+c1(cncc(Cl)c1CBr)Cl	148
+Fc1cc(cc(F)c1CBr)Br	148
+O(C)c1cc(cc(OC)c1OC)CCCBr	703
+c1c(OC)ccc(CBr)c1OC	148
+c1c(c(Cl)cc(c1)CBr)OCC=C	148
+c1c(cc(F)c(c1)C(Br)C)Br	2328
+c1c(cc2c(OC(CBr)=CC2=O)c1)Br	5222
+c1cc(CBr)cc([N+]([O-])=O)c1OC	148
+c1cc(cc(OCCC)c1OC)CBr	148
+c1cc(ccc1)C(c2ccccc2)C(=O)N3CCC(CC3)CCBr	703
+c1cc(ccc1)C=2c3ccccc3C(OC=2C(C)Br)=O	5223
+c1cc(ccc1)CCCCBr	703
+c1c(Cl)c(c(cc1OCc2ccccc2)Cl)CBr	148
+c1cc(ccc1)COc2ccc(CBr)c(c2F)F	148
+c1cc(ccc1-c2cnc(cc2)C(CC)Br)C(N)=O	5224
+c1cc(ccc1CBr)Oc2ccc(cc2)C(C(OC)=O)=Cc3cc(OC)cc(c3)OC	148
+c1cc(ccc1C(=C(CBr)C)C)C(C)(C)CC	5225
+c1cc(ccc1C(Br)C)Br	2328
+c1cc(ccc1C(C)Br)F	2328
+c1ccccc1-c2onc(c2CCC)-c3onc(-c4ccc(cc4)CCBr)n3	703
+c1cc(ccc1Cl)CCBr	703
+c1cc(ccc1CN2C(C(OC)=NN(c3ccccc3CBr)C2=O)=O)Cl	148
+c1cc(ccc1)CCC2=CC(N(CCc3ccc(cc3)CBr)C=C2)=O	148
+c1cc(ccc1CBr)CCN2C=CC(=CC2=O)OCc3c(F)cccc3	148
+c1cc(ccc1N2C=C(C(OCC)=O)C(c3cc(c(c(Cl)c23)N4CCN(CC4)c5ccccn5)F)=O)CBr	148
+c1cc(ccc1CBr)O	148
+c1cc(ccc1Cn2nc(-c3cc(ccc3)CBr)nn2)OC	148
+c1cc(ccc1OCCOC)CBr	148
+c1cc(ccc1CBr)OCCOCCOC	148
+c1cc(ccc1F)S(=O)(=O)c2c(cccc2)CBr	148
+c1cccc2CCC(CBr)Cc12	703
+c1ccccc1COC(Nc2c(CCCC)cc(cc2F)CBr)=O	148
+c1ccccc1COc2c(CBr)cc(cc2)Br	148
+c1ccccc1COc2ccc(c(Cl)c2)CBr	148
+c1ccccc1COc2cc(Cl)ccc2CBr	148
+c1ccccc1COc2cc(c(CBr)cc2)C	148
+c1ccccc1COc2ccc(Cl)c(c2)CBr	148
+n1ccnn1-c2ccccc2CBr	148
+n1(CCBr)nc(cc1CBr)[N+]([O-])=O	2327
+C1Cc2nn(cc2-c3c1c4c(ncnc4s3)Nc5cc(c(cc5)OCc6ncccc6)Cl)CCBr	5226
+Clc1ccc(-n2ncnc2)c(CBr)c1	5227
+CC(C)Cc1c(cc(Br)cc1)C#N	5228
+c1cc(c([N+](=O)[O-])c2ncccc12)C(O)c3ccc(cc3C)F	704
+CC(C)(C)OC(=O)N1CC(C(c2cc(F)c(Cl)cc2)=O)CC1	832
+c1cc(cc(OC)c1F)C(c2nc(Cl)c3c(cccc3)n2)=O	2329
+c1c(cc(C)cc1)C(=O)c2cc(ccc2)Br	705
+CC(C)(C)OC(=O)NC(C)C(c1cccc(c1)OC)=O	832
+C(c1cccc(OC)c1)(c2ccc3c(cc(CCN4C(CCC4)C)o3)c2)=O	705
+FC(F)(F)c1ccc(cc1)-c2nc(nc(C)c2)-n3cc(Br)nc3C	937
+FC(F)(F)c1cc(ccc1-c2[nH]cc(C(OC)=O)c2C)F	1072
+c1cc(ccc1C(=O)Nc2c(ccc(-c3ncc[nH]3)c2)Cl)OCc4ccccn4	1795
+CC(C)Oc1c(cccc1)-c2c[nH]cn2	1234
+C[Si](C)(C)CCOCn1cnc(Br)c1	1073
+FC(F)(F)c1ccc(cc1)-c2nc(-n3cnc(c3)Br)nc(c2)C	937
+c1n(Cc2ccc3nc(SC)sc3c2)cnc1Br	2330
+FC(F)(F)c1cc(C#N)cc(Oc2c(ccc(CNC(c3[nH]cnc3Br)=O)c2F)Cl)c1	5229
+Brc1[nH]cnc1C(=O)O	1
+[O-][N+](=O)c1c(C)cc(Br)c(c1)Br	31
+C1(=O)Nc2c(c(c(Br)c(Br)c2)[N+]([O-])=O)NC1=O	31
+c1cc(ccc1-c2cscc2Br)OC	1074
+c1cc(ccc1-c2c(C)nccc2)OC	89
+FC(F)(C(=O)OCC)c1ncc(C)cc1F	1796
+c1c(Br)c(F)ccc1OCC2CO2	267
+CC(C)(C)C(NC(=O)c1[nH]c2ccccc2c1)C(N3C4CC(C3)N(C4)C(=O)c5ccc(-c6c(F)cccn6)cn5)=O	1797
+N(C(c1c(Cl)ccc(OC)c1)=O)N(C)c2c(cnc(SC)n2)Br	1798
+Cc1ccnc(COc2cccnc2Br)c1	5230
+O(c1cccnc1Br)C	542
+c1c(F)c(c(cc1)F)C(COc2cccnc2Br)=O	5231
+c1c(I)nc(Br)c(c1)O	1463
+c1(Cl)c(Br)cc(c(C)n1)[N+](=O)[O-]	137
+c1(Cl)c(Br)cnc(C)n1	64
+c1cc(ccc1-c2cc3ccncc3nc2O)N4C(C(C)(C)OC4=O)c5ccccc5	156
+O(c1c(Br)cc(C)cn1)C	766
+O(c1cc(C)cc(Oc2c(cc(c(C)c2OC)OC)C(OC)=O)c1)C	304
+c1(cc([N+]([O-])=O)c(nc1-c2cc(F)ccc2)N)Br	119
+CC1(C)OB(OC1(C)C)c2c3c(ccc2C)cccc3	585
+c1(CCOC2OCCCC2)ccccc1Br	219
+c1(Cl)c2c(Br)csc2ccn1	1799
+C1CC1c2c3c(ccc2)cccc3	5232
+CC(C)(C)OC(N1CCC(CC1)c2nc(cs2)C#Cc3c4c(ccc3)cccc4)=O	1800
+c1c(Cl)ccc(Oc2c3c(cccc3)ccc2)c1C	304
+O=Cc1c(ccc2ccccc12)C=C	146
+c1cc(ccc1)S(=O)(=O)n2cc(Br)c3cccnc23	276
+C=1(Br)C=C(Br)C(=C=[N-])[N+](=O)C=1	5233
+COc1c2ccccc2c(cc1C=O)Br	146
+c1c(c(C)cc2n[nH]cc12)Br	3210
+c1c(-c2cccnc2)c(C)cc(c1C)N	305
+O(C(C)c1ccccc1Cl)c2cc(sc2C(=O)OC)Br	5234
+CC(C)(C)OC(c1ncc(Br)cc1[N+](=O)[O-])=O	1075
+CC(C)(C)[Si](C)(C)OCC1CCCCN1c2sc(c(Br)c2)C=O	1801
+Brc1cc(cc(Br)c1)CC#N	177
+Brc1cc(cc(Br)c1)CCl	109
+c1cc(ccn1)-c2cc(cc(Cl)c2)Br	1802
+CC1(C)c2cc(-c3cc(Br)cc(c3)Cl)ccc2-c4ccccc14	11
+n1cc(cnc1)Nc2cc(Br)cc(c2)Cl	5235
+c1(Br)cc(cc(Br)c1)NC(=S)N	401
+c1(OC)cc(cc(Br)c1)C(=O)OC	833
+Brc1cc(cc(Br)c1CO)F	41
+C1CC(=O)N(c2cc(cc(Br)c12)OC)c3c(C)ccc(c3)C(=O)OC	2331
+c1(Br)cc(cc(Br)c1COC(C)=O)F	204
+c1c(Br)c(c(cc1C=O)Br)OCc2ccc(cc2)OC	139
+c1(cc(cc(Br)c1O)C(=O)N2c3ccncc3OCC2)Br	5
+FC(F)(F)c1cc(ncc1)Nc2nc(Br)cc(C)c2	834
+c1c(C)c(cnc1Nc2cc(C)cc(Br)n2)F	834
+c1c(C)cc(nc1-c2scnc2)Br	2332
+C1Cc2cc(cnc2NC1)-c3nccnc3	3211
+CC(C)(C)OC(N1Cc2c(CC1)sc(c2)Br)=O	23
+Nc1c2cc(Br)cnc2[nH]c1	13
+C1CN(CCO1)C(c2cccc(-c3cc4c(nc3)[nH]cc4)c2)=O	89
+CC(C)(C)OC(NC1CN(C1)c2cnc3[nH]ccc3c2)=O	244
+O=S(=O)(CCC)Nc1ccc(F)c(c1)C(O)c2c[nH]c3c2cc(Br)cn3	1235
+c1(cc(-c2cc3cc[nH]c3nc2)ccc1)C=O	89
+c1cc(c(c(F)c1OCCOC2OCCCC2)C(O)c3c4c([nH]c3)ncc(c4)Br)F	1235
+c1ccccc1S(=O)(=O)n2ccc3c2ncc(Br)c3	276
+c1cc(ccc1Oc2c(Cl)ccc(c2)F)-c3sc(C(=O)N)cc3	3212
+Brc1ccc(C(=O)OC)s1	128
+O(C)C(c1sc(C#CCO)cc1)=O	1236
+c1c2ncn(c2ccc1)-c3ccc(s3)C(CCCC)=O	5236
+C1CN(CCC1(c2ccc(Cl)s2)O)C(OCC)=O	3213
+C1CN(CCC1NC(=O)C)c2cc(ccc2)Br	79
+C1CN(CCN1C)c2cc(ccc2)Br	79
+C1CC(CCN1c2cccc(c2)Br)C(=O)OCC	79
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(c2)Br	79
+CN(C)c1ccc2c(C=CN(c3cc(Br)ccc3)C2=O)c1	2333
+C[Si](C)(C)c1cc(ccc1)Br	1803
+C1OB(OCC1)c2cc(-c3cccc(Br)c3)cnc2	5237
+c1cccc(-c2cc(ccc2)Br)c1OC	11
+c1(cccc([Mg]Br)c1)Br	5238
+c1(cc(ccc1)Br)C(c2cc(ccc2)Br)O	257
+C1CC1c2cc(c3c(c2)OCCN(C3=O)c4c(c(ccc4)Br)C=O)F	1464
+CC(C)(O)c1ccc2c(CCN(C2=O)c3cccc(Br)c3C=O)c1	1464
+O=Cc1cccc(Br)c1CC	146
+CC1(C)Cc2c(sc3C(N(CCc23)c4cccc(Br)c4COC(=O)C)=O)C1	1464
+c1(cccc(Br)n1)NCc2cc(ccc2)F	340
+c1c(nc(N2CCC(NCCCCO)CCC2)cc1)Br	323
+CC(C)(O)c1cccc(Br)n1	938
+CC(C)Oc1nc(ccc1)Br	640
+c1ccccc1COc2c3cc(ccc3ncc2)-c4nc(Br)ccc4	245
+c1c(Br)nc(C(CCCC)O)cc1	3214
+CN(C)c1cccc(n1)Br	323
+c1ccc(C)c(c1N2N=NN(C2=O)C)COc3cccc(Br)n3	640
+c1ccc(C(C)Nc2cccc(Br)n2)cc1[N+]([O-])=O	340
+c1cc(ccc1)-c2nc(Br)ccc2	119
+c1cc(ccc1)Oc2nc(ccc2)Br	1237
+c1cc(ccc1-c2c(c(C)no2)Nc3nc(ccc3)Br)-c4ccc(cc4)C5(CC5)C(=O)OCC	3215
+c1cc(ccc1OC)CNc2cccc(n2)Br	340
+c1ccccc1COc2cc3n(n2)CCN(C3=O)c4nc(ccc4)Br	2334
+c1cnccc1-c2nc(Br)ccc2	1238
+c12c(c(ccc1[N+]([O-])=O)Br)nccc2	1804
+c1cc(ccc1-c2nc(Cc3ccccc3Br)sc2CC(O)=O)F	5239
+C1CCN(C1)c2ccccc2CC(O)=O	79
+O=C(OCC)Cc1ccccc1Br	939
+c1cc(ccc1OC)CN(c2nccs2)S(=O)(=O)c3ccc4c(OCCN4c5c(Br)cccc5)c3	2335
+c1cc(ccc1-c2c3n(ccc2)cc(C)n3)O	1805
+C1CCCC1(O)c2ccncc2Br	5240
+C1CC(CCN1CC23c4c(cccc4)C(c5c2cc(cc5)Cl)C3)(O)c6cccnc6	1239
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)NC(=O)C3CN(C3)c4cnccc4	244
+CC(C)(C)OC(N1CCN(CC1)c2cccnc2)=O	244
+CC(C)(C)OC(N1CCC2(CCCN2c3cnccc3)C1)=O	244
+CC(C)(C)OC(Nc1c(cc(cc1)-c2cnccc2)[N+]([O-])=O)=O	5241
+CC(C)c1c(c2c(n1Cc3ccccn3)cc(Oc4cccnc4)cc2)C(NCc5cc(F)c(cc5)F)=O	706
+O(C(C)c1ccccc1Cl)c2c(C(=O)OC)sc(-c3cccnc3)c2	5242
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(C2=O)Cc3nc(ncc3)Nc4cccnc4	3216
+FC(F)(F)c1ccc(cc1)-c2cnccc2	1806
+O=S(=O)(C)c1cc(-c2cccnc2)ccc1	89
+c1(c(c(ccc1)-c2cnccc2)C)Br	89
+c1ccc(cc1[N+]([O-])=O)C=Cc2cnccc2	1807
+COc1nc2c(cc(-c3cnccc3)cc2)cc1	1806
+c1c(C=Cc2cc(ccc2)Nc3c(cccn3)[N+]([O-])=O)cccn1	1807
+c1(cnccc1)-n2cc(CCC(OCC)=O)c3ccccc23	3217
+c1cc(ccc1C)-c2cccnc2	89
+n1cc(cnc1Nc2cnccc2)[N+]([O-])=O	3216
+C1=C(CCOC1)c2cccnc2F	1076
+C1CC1c2c(nccc2)F	940
+n1cccc(c1F)-c2cc(ncc2)C	3218
+C1=CC=C(Br)C(N1CCCCCl)=O	5243
+C=1N(C(C(Br)=CC=1)=O)C	5244
+CC(C)c1ccc(cc1)-c2n(CCOC)c3c(cc(cc3OC)C(O)c4cccnc4SC)n2	5245
+N1(CCCC1=O)c2cccnc2[N+](=O)[O-]	3219
+n12CCNC(c1c(c3c2c(cc(c3)F)-c4occc4)C)=O	5246
+C1C(C)OC(CN1c2c(c(c(C#Cc3cccs3)cc2C=O)F)F)C	3220
+Brc1ccc(C(CCCC)=O)s1	1808
+c1ccc(-c2cccs2)cc1OCC	268
+c1cc(ccc1-c2sccc2)-c3nc4ccc(S(=O)(=O)C)cc4[nH]3	268
+c1cc(ccc1OCC)-c2sccc2	268
+Brc1ccn2c(c1)nc(c2)COC	5247
+Brc1ccn2c(c1)nc(CCl)c2	3221
+c1(CC(OC)=O)ccc(cc1Cl)-c2cc(ncc2)C(=O)NC	2336
+FC(F)(F)c1cc(NC(c2cc(Br)ccn2)=O)ccc1	187
+Brc1ccnc(C(=O)NC)c1	81
+c1(cc2ccc(cc2cc1)-c3ccnc(C(=O)O)c3)OC	835
+c1ccccc1NC(c2nccc(Br)c2)=O	187
+c1cc(ccc1N)-c2ccnc(C)c2	2336
+c1cc(ccc1Br)C(CC(c2cc(ncc2)C)=O)c3c(cccc3)C	3222
+c1ccc(C(CC(=O)c2ccnc(C)c2)c3cccc(c3)Br)c(C)c1	3222
+C(=O)(N(OC)C)C=Cc1nccc(Br)c1	3223
+C(NC=O)c1nccc(Br)c1	707
+C(Oc1nccc(Br)c1)CCF	430
+n1cccnc1-c2c(C(N3CC(CCC3C)Oc4cc(Br)ccn4)=O)ccs2	430
+CC1(C)OB(OC1(C)C)c2cc(NC(C)=O)ncc2	1809
+C1=CC(Br)=CC(N1CCO)=O	5248
+CC(C)(C)OC(C(C)N1C=CC(Br)=CC1=O)=O	5249
+CC(C)c1ccc(cc1C)NC(c2cc(Br)ccn2)=O	2337
+c1ccccc1CN(C)c2cc(ncc2)C(OC)=O	1465
+OB(O)c1ccnc2[nH]c(C)cc12	3224
+n1nc[nH]c1-c2c(Br)ccs2	2338
+Brc1ccsc1C(=O)N	767
+CC(C)(C)C1OCC=2c3c(C(OC=2C1)=O)scc3	5250
+CC(C)(C)[SiH2]OC(C)(C)C1N(CCC1)c2cc(cnc2)Br	244
+CC(C)(c1cc(cnc1)Br)O	1239
+CC(C)Oc1cncc(Br)c1	1810
+n1cc(cc(-c2cc3CC(N(c3cc2)C)=O)c1)Br	156
+n1cc(cc(c1)-c2c(c3c(cc2)N(C(C3)=O)C)Cl)Br	156
+n1cc(Br)cc(OC)c1	1810
+c1ccc(cc1C#Cc2cncc(Br)c2)OC	1240
+Brc1c[n+](cc(Br)c1)[O-]	341
+c1ccc(cc1[N+]([O-])=O)C=Cc2cncc(Br)c2	1807
+c1ccccc1COc2cncc(c2)Br	1810
+CC(C)c1ccc(cc1)-c2cncc(Br)c2	89
+c1(Br)cncc(NCc2ccccc2O)n1	941
+FC(F)(F)c1ccnc(n1)Nc2cc(-c3scnc3)cc(Br)c2	836
+c1c(N)cc(-c2n3c(nc2)cc(C)cc3)cc1	3225
+CC(C)(C)[Si](C)(C)OCc1ccn2c(ncc2Br)n1	19
+CC1CCCC(C)N1C(=O)c2csc(n2)Br	837
+C(O)(Cn1c(c(nc1Br)Br)Br)=O	4
+CC(C)Nc1c([N+]([O-])=O)cc(c(CC)n1)Br	340
+c1(C)cccc(C)c1-c2nc(c(Cl)n2CCCC)Cl	1795
+CC(C)(C)OC(N1CCCN(c2c3c(cc(Br)n2)cccc3)CC1)=O	323
+CC(C)(C)OC(=O)N1CCC(CC1)(c2nc(cs2)Br)O	5251
+c1(F)cc(cc(F)c1-c2scc(C(=O)OC)n2)OC	1241
+C1(CN(CCC1)c2nc3c(n2Cc4c(F)cccc4Cl)C(N(C(=O)N3C)C)=O)C(=O)OCC	1811
+FC(F)(F)c1cc(c(c(F)c1)[N+](=O)[O-])-n2c(nc(c2)C)Br	431
+Nc1cc(C)cnc1Br	13
+N#Cc1ncc(C)cc1[N+](=O)[O-]	942
+c12[nH]nc(c1cc(Br)nc2)C	5252
+c1c(I)cc(c(Nc2c(cc(Br)nc2)C(=O)O)c1)F	5253
+c1nc(Br)cc(c1F)-c2n(C)c3ccccc3n2	3226
+Nc1c(NC)cc(Br)nc1	13
+BrCc1ccnc(Br)c1	29
+C1CN(CCN1C(NC2CCCCC(Oc3nccc(C)c3)C2)=O)c4ccnc5cc(Cl)ccc45	640
+c1cnc(cc1C)-n2c3c(c4c2cc(cc4)OC)cccc3	5254
+CC(C)(C)OC(N1C(CC(C1)F)C(NCc2ccnc(Br)c2)=O)=O	9
+O=S(=O)(C)OCc1ccnc(Br)c1	7
+C1CC1COc2ccnc(Br)c2	8
+c1ccccc1COc2cc(ncc2)Br	22
+c1cc(ccc1C#Cc2c([N+]([O-])=O)cccn2)CCC(=O)OC	943
+C(O)CN(C)c1nccs1	641
+C1CC1C(c2sccn2)O	5255
+s1ccnc1-c2cc(c(F)cc2)C#N	1241
+c1cc(ccc1F)-c2sccn2	1241
+C1CN(CCC1Oc2sc3cc(ccc3n2)Br)c4nnc(C)s4	2339
+C(OCC)(Cc1cccc(NC(c2oc(Br)cc2)=O)c1)=O	768
+Brc1oc(cc1)C(Nc2cccc(c2)CC(OC)=O)=O	768
+Brc1oc(cc1)C(CC#N)=O	5256
+CSC(SC)=C(C(c1ccc(o1)Br)=O)C#N	5257
+c1cc(ccc1C)-c2oc(cc2)C(=O)Nc3cc(CC(OC)=O)ccc3	1242
+c1cc(ccc1C)-c2sc(-c3cc(c(cc3)CCCCC)F)cc2	268
+Brc1sc(-c2nc(ncc2)S(=O)C)cc1	172
+CC1(C)CC(CC(C)(C)N1)Nc2nccc(n2)-c3sc(cc3)Br	306
+c1(cc2ncn(-c3sc(c(Br)n3)C(OC)=O)c2cc1OC)OC	5258
+c1cc(ccc1Cl)-c2sc(C)cc2	268
+C(C)N(CC)c1ccc(C=O)s1	1801
+CC(C)CNCc1ccc(Br)s1	1466
+c1cc(ccc1-c2cc(F)c(-c3sc(C=O)cc3)cc2)CC	268
+c1cc(ccc1-c2ccc(C=O)s2)CO	268
+c1cc(ccc1Sc2sc(C=O)cc2)Cl	5259
+c1cc(c(-c2sc(CC(OC)=O)cc2)cc1)N	268
+O=S(=O)(c1cccc(Cl)c1)NCc2ccc(Br)s2	71
+N#Cc1c(C)nc(Br)s1	1812
+C(NC(=O)c1c(C)nc(Br)s1)c2cccnc2	454
+c1ccccc1CNC(c2sc(Br)nc2C)=O	454
+c1ccccc1N(Cc2c3c(nc(c2)O)cccc3)C(c4c(nc(s4)Br)C)=O	3227
+O=S(=O)(C)c1cccc(-c2sc(-c3ccn(C)n3)cc2)c1	268
+c1cc(ccc1-c2ccc(CCCCC)s2)OC	268
+C1CN(CCN1C2CCC2)C(=O)CN3CCc4c(sc(n4)Br)C3	224
+C12CCC(O)(CC1CCCC2)C#C	2340
+CC(C)(C)[Si](C)(C)OCCCCCCCCCCCCC#C	5260
+C(C(C)(O)CCCC(C)CCC)#C	2340
+Nc1c(cc(F)cn1)C#CC	2341
+c1(c(c(Cl)ccc1CNC(c2[nH]cnc2Cl)=O)Oc3cc(cc(C#N)c3)C#CC)F	197
+c1cc(ccc1OC)Cn2cnc3c2nc(C#CC)nc3Cl	1467
+FC(F)(F)c1ccc(c(NC(=O)Nc2cccc(C#CC(N)=O)c2)c1)F	5261
+C(OCC)(c1ccc(nc1CC(=O)OCC)O)=O	5262
+CC(C)(C)OC(=O)Nc1cc(C)c(CNC(=O)C#C)c(C)n1	5263
+c1cc(ccc1Oc2ccccc2)-c3c(ncnc3N)NC4CC5(C4)CN(C5)C(=O)C#C	5264
+c1(C(O)C#CC(OC)=O)cc2c(OCO2)cc1	5265
+CC(C)(C)OC(=O)NCCn1nnc(C(OC)=O)c1	2342
+CC(C)(C)[Si](C)(C)OCc1cc2n(cc1)ncc2C(OC)=O	2343
+c1c(Br)nc(Cn2nncc2C(=O)OC)cc1	5266
+c1cc(ccc1C(C2=C(N(C(C=C2)=O)c3c(F)cc(cc3F)Br)N)=O)F	5267
+c1ccccc1COc2cc(Cl)cn3c2c(C(=O)OC)cn3	2343
+c1cc(ccc1-c2noc(C(=O)OC)c2)Oc3c(ccc(F)c3)Br	3228
+c1c(F)cc(cc1Nc2c(C(=O)NC(C#C)(C)CC)cccn2)F	3229
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CCCC(C2)C(NC(C#C)CC(OCC)=O)=O)=O)=O	5268
+c1cc(ccc1Oc2sc(cn2)C#CC(NC(C)=O)C)O	3230
+c1cc(ccc1Oc2sc(cn2)C#CC(NC(C)=O)C)S(=O)(=O)N(C(C)C)C	3230
+FC(F)(F)c1c(cc2cc(C(CSCC)(C)O)n(c2c1)S(=O)(=O)C)C#N	3231
+FC(F)(F)c1ccc(cc1)-c2noc(C(=O)OCC)c2	3228
+CCOC(c1c2n(nc1)ccc3OCCc23)=O	2343
+n1c(C(=O)OCC)cn(n1)-c2ccc(C(NCC)=O)cc2O	3232
+n1c2c(ccc(-n3cc(nn3)C(=O)OCC)c2)n(CC)c1Cn4ccnc4-c5cc(ccc5F)F	3232
+c1c(Cl)c(c(cc1Cn2cc(C(=O)OCC)nn2)Cl)Cl	2342
+c1c(c(cc(-c2noc(C(=O)OCC)c2)c1)C)OCOC	5269
+n1n2c(Cl)cccc2c(c1-c3occc3)C(=O)C#C	2344
+C1(N(CCC1(O)C#Cc2ccnc(-n3nc(C(=O)N)c4cc(OC)ccc34)c2)C)=O	1243
+C(C)OC(=O)c1nn(-c2cccc(C#CC3(C(N(CC3)C)=O)O)c2)c4CCN(Cc14)c5ccncn5	197
+C1(N(CCC1(O)C#Cc2cccc(-n3nc(C(=O)OC)c4cc(C#N)ccc34)c2)C)=O	197
+C1(N(CCC1(O)C#Cc2ccnc(-n3c4cccc(F)c4c(C(=O)OC)n3)c2)C)=O	1243
+c1(C#CC2C(CO)C2)cc3c(cc(cc3)C(O)=O)cc1	197
+c1cc(ccc1C#CC#CC2CC2CO)C(=O)O	5270
+c1(c(OCc2ccc(nc2)OC)ccc(c1)Cn3cnc4cc(-n5nnc(C6CCCNC6)c5)ccc34)OC	5271
+CC(C)(C)OC(N1CCc2c(nc3ccnn3c2N4CC(C4)C(N5CC(C#C)CC5)=O)CC1)=O	10
+C(CN(CCCCO)CCCCCCCCCCCCCCCCCC)#C	1813
+c1cc(cc(c1OCC#C)OC)CCC(OCC)=O	476
+C(COCC#C)OCCOCCOCCO	1244
+C(c1c(OCC#C)cccc1F)CC	476
+C1CN(CCN1CC)CC#C	1813
+C1CN(CCN1c2c(F)cc(F)cc2)CC#C	1813
+CC(C)(C)C(Nc1cc(F)cc(OCC#C)c1C(=O)OC)=O	476
+CC(C)(C)OC(NC1C(=O)N(CC#C)c2c(OC1c3ccccc3)cccc2)=O	5272
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCC#C)=O	476
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c(N)nc3cc(OCC#C)ccc3c12	476
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(c(C)c2)C3=C(OC)CC(CC#C)C3=O	3233
+CCC(c1ccc(OCC#C)cc1O)=O	476
+CCCC(O)(CC#C)CCCC	2345
+C#CCC(CCCC)(CF)O	2345
+Cc1nnc(c2ccc(OCC#C)cc12)Cl	476
+FC(F)(F)C=1N(C)C(C(c2c(cc(c(c2)OCC#C)Cl)F)=NC=1)=O	476
+FC(F)(F)c1nc(Cl)sc1C(=O)OCC#C	5273
+FC(F)(F)c1c(c(N2CC(CC2)OCC#C)ccc1)CN3CCN(CC3)C(=O)OC(C)(C)C	1244
+FC(F)C(CCCC)(CC#C)O	2345
+c1c(F)c(c(cc1C(OC)=O)F)OCC#C	476
+Nc1c(N2N=NN(CCCF)C2=O)c(cc(Cl)c1OCC#C)F	476
+C(COCCOCC#C)OCCO	1244
+O=S(=O)(CC)NC(C(=O)NC1C(c2ccc(OCC#C)c(OC)c2)CCCC1)C(C)C	476
+O=C(c1c(cccc1)SCC#C)O	5274
+c12n(CCOCC#C)c(nc1cnc3ccccc23)CCOC	1244
+c12cc(OCC#C)ccc1[nH]cc2	476
+c1cc(ccc1-c2cc(c(C=3C(C(CC=3OC)CC#C)=O)c(F)c2)Cl)Cl	3233
+c1cc(ccc1Cl)Oc2ccc(C(Cn3cncn3)(OCC#C)CC)c(Cl)c2	1244
+c1cc(ccc1-c2oc3c(cccc3)n2)OCC#C	476
+c1ccc(OCC#C)cc1C(=O)OC	476
+c1cc2c(CN(CC2)CC#C)cc1	1813
+c1ccccc1COC(NC(Cn2c3cc(ccc3cn2)OCC#C)C)=O	476
+C[Si](C)(C)OC(CF)(CC#C)CCCC	19
+C[Si](C)(C)OC(CC#C)(CCOC)C	19
+CC(C)(C)OC(NC1(C(=O)N(C)CC1)CC#C)=O	1245
+COCCC(CCOC)(CNC(OCC1c2ccccc2-c3ccccc13)=O)NCCCC#C	110
+c12c(N)nc(C#CCCCC)nc1n(C3C(O)C(C(CO)O3)O)c(NCC)n2	1467
+C1CN(CCC1)CCCC#C	53
+FC(F)(F)C(Nc1ccc(cc1)C#CCCCCl)=O	121
+C1c2c(CC1Nc3ncc4c(n3)CCN(C(CNCCCC#C)=O)C4)cccc2	402
+CC(C)(C)OC(=O)NCCCC#C	37
+FC(F)(F)C(=O)NC(C(=O)NCCCC#C)CC	9
+c1cc(ccc1C(c2ccc(cc2)C#CCCCO)=C3CCCCCC3)O	197
+C1CN(CCO1)Cc2cc3c(c(C#CCCCO)c2)N(C=C(C3=O)C(=O)NCc4ccc(cc4)Cl)C	121
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(=O)OCCCC#C)cccc2	1468
+CC(C)N(C(C)C)CC#CCCCO	1469
+CC(C)(C)OC(N(C)C1CCC(c2ccc(cc12)C#CCCCO)c3ccc(c(Cl)c3)Cl)=O	121
+CC(C)(C)[Si](C)(C)OCCCC#C	19
+FC(F)(F)C(=O)N(c1ccc(cc1)C#CCCCO)C	121
+FC(F)(F)C(=O)NCCC(c1cc(C#CCCCO)ccc1)O	197
+FC(F)(F)Oc1ccc(cc1)C#CCCCO	121
+FC(F)(F)Oc1cc(c(C#CCCCO)cc1)I	5275
+FC(F)(F)Oc1cccc(C#CCCCO)c1	121
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCO	2346
+FC(F)(F)c1ccc(cc1)-c2c3c(sn2)cc(C#CCCCO)cc3	2346
+FC(F)(F)c1ccc(cc1)C#CCCCO	121
+c1ccccc1-c2ccc(cc2)C#CCCCO	197
+C(CCO)C#Cc1ccccn1	769
+CC(C)(C)C(=O)NCCC#C	68
+O=S(=O)(Cc1ccc(c(c1)Cl)Cl)NCCC#C	111
+c1c(oc2c1cc(cc2)C(N(OC)C)=O)CCN3CCCC3C	1246
+c1cc(ccc1-c2ccc3oc(CCN4C(C)CCC4)cc3c2)C#N	1246
+CC(C)(C)OC(c1ccc(cc1)C#CCCO)=O	121
+Clc1ccc(C#CCCO)c(Cl)c1	121
+C=1C(Oc2c(ccc(C#CCCO)c2)C=1)=O	1247
+c1cc(ccc1Cl)-c2nsc3cc(C#CCCO)ccc23	2346
+FC(F)(F)c1cc(ccc1-c2cc(CCO)on2)Br	1814
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(-n4nnc(CCO)c4)c3)ccc1F)F	5276
+c1c(oc2c1cc(-c3n4c(ccn4)nc5c3CCC5)cc2)CCO	1246
+C(C#Cc1cccc(CF)n1)CO	769
+C(C#Cc1cccc(OC(C)=O)c1)CO	121
+C(C#Cc1cc(Br)c(Cl)cc1)CO	121
+C(C#Cc1cc(C)c(cc1)OC)CO	197
+c1cc(ccc1-c2ccc3oc(cc3c2)CCO)C#N	1246
+c1cc(ccc1C#CCCO)-c2cn3c(cc(C)cc3)n2	197
+c1cc(ccc1CC(=O)OC)C#CCCO	121
+c1cc(ccc1C#CCCO)OCCCN2CCCCCC2	121
+c1cc(ccc1C(=COC(F)F)C(NCCc2cc(OC)c(OCC#C)cc2)=O)Cl	5277
+N(C)C(c1nn(C2CCCCO2)c3cc(ccc13)Nc4ccccc4C(NCC#C)=O)=O	1815
+CC(C)c1n(Cc2ccccc2)c3cc(C(NCC#C)=O)ccc3c1C(=O)NCc4cc(F)c(cc4)F	1815
+C[Si](C)(C)CCOCOc1cc(cc(OCc2ccccc2)c1Br)C(=O)NCC#C	1815
+FC(F)(F)c1cccc(C(=O)NCC#C)c1	5278
+c1c(c(ccc1OC)CNCC#C)OC	5279
+c1cc(ccc1)COc2cc(cc(c2Br)OC)C(NCC#C)=O	1815
+FC(F)(F)C1(ON=C(c2sc(C(=O)NCC(=O)NCC#C)c3CCCc23)C1)c4cc(Cl)c(c(Cl)c4)F	1816
+C(C)N(CC)CC#CCO	1469
+C(CCOCC#C)CCCCBr	3201
+C12CC3CC(C1)CC(C2)(C3)CNC(c4c(cnc(c4)C#CCO)Cl)=O	769
+CC(C)(C)C(Nc1nc(Cl)ncc1F)Cn2cc(nn2)CO	642
+CC(C)(C)N1c2c(C(C(C(NCc3ccc(cc3)Cl)=O)=C1)=O)cc(cc2)C#CCO	121
+CC(C)(C)OC(N(c1ccc(cc1)C#CCO)C)=O	121
+CC1(C)Cc2c3N1C=C(C(=O)OCC)C(=O)c3cc(c2)C#CCO	197
+CCC(=O)N(Cc1cccc(C#CCO)c1)c2cc(-c3[nH]nnn3)ccc2	121
+Cc1n(C2CCCCO2)nc-3c1C(N(c4ccc(C#CCO)cc-34)CC)=O	121
+Clc1c(F)c(C#CCO)ccc1	121
+Clc1cc2oc(CO)cc2c(Cl)c1	1246
+C#CCOc1cnc(c(C)n1)C(=O)OC	5280
+FC(F)(F)c1ccc(cc1)-c2noc(CO)c2	2347
+c1cccc(c1-c2noc(c2)CO)F	1814
+O(c1c(OCC#C)ncnc1)C	1470
+O=S(=O)(c1cc(ccc1)Cl)Nc2cc(nc3sc(c(c23)-c4cccc(c4)OC)C#CCO)C	1236
+c1(nc(-c2nc(CCC)ccc2)nc(c1)C)OCC#C	1470
+Cc1cccc(C)c1C#CCO	121
+c1(C)nc(-c2cccc(n2)C#CCO)cc(OC)c1	769
+C(C#N)Cc1ccsc1C#CCO	1236
+c12oc(-c3cn4nc(sc4n3)OC)cc1c(OCC#C)cc(OC)c2	5281
+C1CCCC(n2c3ccc(C#CCO)cc3cn2)O1	197
+c1c2c(c[nH]c2ccc1)CC(CO)NC(c3cc(cc4c3OCCCC4)C#CCO)=O	197
+o1nc(-c2c(F)ccc(F)c2Cl)cc1CO	1814
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)C#CCO)cnc23	197
+c1cc(ccc1B(O)O)C#CCO	121
+c1cc(ccc1CNS(=O)(=O)c2ccc(cc2)C#CCO)C(=O)Nc3cccnc3	121
+c1cc(ccc1C#CCO)C(OC)=O	121
+c1cc(ccc1CNC(=O)c2cnc3c(OC)cc(C#CCO)cc3c2O)Cl	121
+c1cc(ccc1CNC(c2cnc3ccc(C#CCO)cc3c2O)=O)Cl	121
+c1cc(ccc1Cl)CNC(=O)C2=CN(c3c(cc(C#CCO)c(OC)n3)C2=O)C	2341
+c1cc(ccc1Cl)CNC(C=2C(c3cc(C#CCO)cc4OCCN(c34)C=2)=O)=O	121
+c1cc(ccc1Cl)CNC(C=2C(=O)c3cc(C#CCO)cc4N(C(=O)CN(C=2)c34)C)=O	121
+o1c2cccc(C#CCOC)c2c(C)c1C(=O)OCC	5282
+COCC#Cc1c2OCOc2c(N)c(Cl)c1	121
+Nc1c(cc(C#CCOC)cc1)F	121
+c1cc(ccc1Cl)-c2c(C#CCOC)ncc(C(=O)NC3CCCCC3O)c2	2348
+C#CCOc1cnc(c(C)n1)C(=O)O	1
+C1CC1C(C2CC2)(C#C)O	5283
+CC(C)(C)c1cc(cc(c1N(C)C)Cl)C(O)C#C	1471
+CC(C)(C)c1c(ccc(c1)C(C#C)O)N2CCCCC2	1471
+CC(C)(C)c1c(ccc(c1)C(C#C)O)N2CCCC2	1471
+CC1(C)CCC(C)(C)c2cc(C(O)C#C)cc(c12)OCCOCC	1471
+c1c(Cl)cc(cc1C#C)Cl	5284
+Clc1cccc(c1)-c2c(C(C#C)O)c3n(n2)cncc3	1817
+c1cc2n(c(c1)Cl)nc(c2C(O)C#C)-c3cccc(c3)C	1817
+C#CC(c1c2n(nc1-c3occc3)c(Cl)ccc2)O	1817
+c1cc(ccc1OC)-c2nn3ccc(Cl)cc3c2C(C#C)O	1817
+C1CN(CCO1)CCNc2ncc(cn2)C#Cc3c(ncc(N)c3)C	1472
+C#Cc1c(N)c(c2n[nH]cc2c1)C(=O)O	1
+c1(c(nccc1C(OC)=O)C#Cc2n(nc3c2ccc(OC)c3)C)N	2349
+FC(F)(F)c1ccc(cc1)C#Cc2c(c(c(N)nc2)C#N)C	129
+o1nc(cc1-c2cc(Cl)c(nc2)SC)CC	5285
+c1(OC)cc2c(C#Cc3c(ncc(c3)Cl)N)cn(c2cc1OC)C	5286
+C(C)c1ccc(c(c1)F)C#N	1818
+c1cc(ccc1-c2nc(C#Cc3nc(ccc3)N)c(nc2)N)S(=O)(=O)C(C)C	2350
+C1CCC(C1)CC(c2ccc(cc2)C#Cc3ncccc3)C(OC)=O	129
+c1cc(ccc1Cl)-c2cc(C(=O)OC)cnc2C#Cc3ccccn3	2351
+c1cc(ccc1N)C#Cc2ncccc2	129
+c1(ncc(c(C#Cc2ccccn2)c1)-c3cncc(c3)C=4OC(NN=4)=O)NC(NCC)=O	3234
+C1CC1NC(C=2C(c3cccnc3N(c4cccc(C#Cc5cccnc5)c4)N=2)=O)=O	455
+C1CN(CCO1)Cc2cc3C(C(=CN(C)c3c(C#Cc4cccnc4)c2)C(=O)NCc5ccc(cc5)Cl)=O	129
+N#Cc1c(c2c(sc(C#Cc3cccnc3)c2)nc1)Nc4cc(c(Cl)cc4Cl)OC	5287
+c12ccc(cc1[nH]c(c2)-c3cnccc3)F	5288
+n1c(-c2cccnc2N)c[nH]n1	3235
+c1cc(ccc1Oc2cccc(F)c2)Cc3cc(-c4cccnc4N)on3	1248
+c1cc(ccc1Cc2noc(c2)-c3c(nccc3)N)COc4nccc(c4)F	1248
+c1ccccc1COc2ccc(cc2)Cc3cc(-c4cccnc4N)on3	1248
+c1cc(ccc1OC)Cn2nnc(c2)-c3cc(Br)ncc3	2352
+FC(F)(F)c1nc2n(nc(C#Cc3n(cc(N4CCCC4=O)n3)C)cc2)c1C	2353
+FC(F)(F)c1c(CN2CCN(CC2)C)ccc(C(Nc3ccc(c(C#Cc4n5ncccc5nc4)c3)C)=O)c1	129
+FC(F)(F)c1cc(NC(=O)c2cc(c(cc2)C)C#Cc3n4ncccc4nc3)ccc1CN5CCN(CC5)CCO	129
+FC(F)(F)c1ccc(cc1)Cn2cc(nn2)-c3nc(c(C(=O)OCC)s3)C	3236
+C1OC(OCCCCC#CCCCCCCCC#C)CCC1	2354
+C1CCCCC1Oc2ccc(cc2)Cc3noc(c3)-c4ccc(N)nc4N	1248
+c1cc(ccc1CCc2ccccn2)Cc3noc(-c4ccc(N)nc4N)c3	1248
+c1ccccc1COc2ccc(cc2)Cc3noc(c3)-c4ccc(N)nc4N	1248
+n1n(c(c(C#Cc2cnn3c2c(OC)cc(-c4cnn(C)c4)c3)c1)C)-c5ncccc5	1249
+c1cc(ccc1OC)CNc2ncc3c(c(ncn3)Nc4ccc(Cl)c(c4)C#C)c2	182
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(ncnc2cn1)Nc3ccc(Cl)c(c3)C#C	142
+c1c(C#Cc2c(cccc2)CC#N)cc3C(c4c(-c3c1)ccc(C#N)c4)=O	455
+n1c(C#N)c(Cl)cc(c1)C#Cc2ccc(OC)cc2C	5289
+FC(F)(F)c1cnc(nc1C#Cc2ccc(F)cc2CC(N)=O)Nc3ccc(cc3)C4CCN(CC4)C(=O)OC(C)(C)C	838
+CC(C)(C)[Si](C)(C)OCCc1noc(c1)-c2cnc(Nc3cccc(F)c3)nc2NCCC	5290
+C(#CC(=O)Nc1cc2c(ncnc2cc1)Nc3cc(ccc3)Br)C(C)(CCOC)N	2355
+C(#CC)C1N(C(CCl)=O)C(CC1)C#N	143
+C1CCCC1(CO)NCC(N2C(C#N)CCC2C#CC)=O	402
+C(C#CCCC(OC)=O)CC(O)=O	4
+O=Cc1c(OC)cc(OC)c(c1)C#Cc2ccccc2NC(=O)C	26
+c1cc(ccc1S(=O)(=O)N)C(=O)C=Cc2c(cc(c(c2)C#Cc3c(N)cccc3)OC)OC	307
+O=S(=O)(c1ccc(cc1)C(C=Cc2c(cc(c(c2)C#Cc3c(N)cccc3)OC)OC)=O)NCC(=O)O	307
+c1cc(ccc1S(=O)(=O)NCCCn2cncc2)C(C=Cc3c(cc(c(c3)C#Cc4c(N)cccc4)OC)OC)=O	307
+c1cc(ccc1S(=O)(=O)Nc2ncccc2)C(=O)C=Cc3c(cc(c(c3)C#Cc4c(N)cccc4)OC)OC	307
+C(#N)C(C#N)=C(N1CCC(CC1)CN2CCCCC2)NCCN3CCCC3C	3237
+C1CC(CCO1)Nc2cc(ccc2C#N)-n3c(c(C#N)c(n3)C)N	3238
+Cc1c(C#N)c(n(-c2ccc(cc2F)OC)n1)N	3238
+c1c(OC)c(cc(c1)-c2c(c(n(CCO)n2)N)C#N)OCC	2356
+C(#N)C(C#N)=C1N(CCN1CCCO)CCN2C(CCC2)C	28
+c1cc(ccc1OC2CCCC2O)-c3c(c(nc(c3C#N)N)S)C#N	3239
+C(#N)C(C#N)=C(c1ccc(c(OCC)c1)OC)OC	3240
+FC(F)(F)c1c(c(ccc1)CN2C(N(c3ccc4N(C(=O)N(c4c3)C)C)C=C(C#N)C2=O)=O)C	1819
+c1(OCOC)ccccc1-c2cc(c(c(n2)N)C#N)-c3ccccc3C(=O)OC	5291
+N#CC(C#N)=C(SC)Nc1cc(ccc1)Cl	5292
+N#CC(C#N)=Cc1ccc(cc1Cl)Cl	1250
+FC(F)(F)Oc1ccc(cc1)C=C(C#N)C#N	1250
+FC(F)(F)c1c(C)c(CC(C#N)C#N)ccc1	5293
+N#CC(C#N)=Cc1cc(Br)c(c(OC)c1)OC	1250
+c1cc(O)c2ccc3c(OC(N)=C(C#N)C3c4cc(c(c(c4)OC)OC)Br)c2c1	5294
+c1c2C(c3cc(c(c(c3)OC)OC)Br)C(C#N)=C(N)Oc2c4c(ccc(N)n4)c1	5295
+c1(C)cncc(C)c1-c2c(C)cc(cc2C)C(C#N)C#N	5296
+C(#N)C(C#N)C(=O)c1ccc(OC)c(OCC)c1	5297
+c1ccccc1-c2nn(c3OC(N)=C(C(c4ccc(cc4)OC)c23)C#N)C	5298
+c1cc(ccc1-c2c3c(n(n2)-c4ccccc4)OC(N)=C(C3c5ccccc5)C#N)OC	5299
+c1cc(ccc1O)C=C(C#N)C#N	1250
+c1cc(ccc1C=C(C#N)C#N)OC2CCOC2	1250
+C(#N)C(C#N)=Cc1ccc(cc1)OC2CCCC2O	1250
+C(C(CCCC)CC(CC(CC)CCCC)=O)C	5300
+FC(F)(F)Oc1c(cc(cc1)Br)C(=O)NC(Cc2c[nH]c3c2cccc3)CC#N	14
+C(C(O)c1cc(ccc1)O)CN	51
+C(#N)COc1c(cccc1C)CO	41
+C(c1cccc(c1OCC#N)C)Br	543
+c1ccccc1COc2c([N+]([O-])=O)cc(OCC#N)cc2	22
+c1c2c3CN(C)CCc3n(CCN)c2ccc1C	51
+c1(ccc2c(n(cc2)CC#N)c1)N3C(c4cc(OC)ccc4C3)=O	1473
+C(#N)Cn1c2c(ccc(N)c2)cc1	0
+c1(C(=O)Cl)[nH]c(C#N)c(c1Cl)Cl	1077
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(C#N)c(C(CCC)=O)nc3CCC)=O	371
+CC1(C)C(C)(C)OB(O1)c2cc(-c3c(cccc3)C#N)cc(c2)F	17
+n1[nH]c(nn1)-c2c(cccc2)-c3cc(N)c(cc3)-n4cccn4	2357
+C(#N)c1c(-c2cc(Br)cc(F)c2)cccc1	1078
+C(#N)c1c(cccc1)-c2cc(ccc2)NC3=C([N+]([O-])=O)C(=O)N(C)C=C3	5301
+C(#N)c1c(-c2cc(O)ccc2)cccc1	477
+FC(F)(F)S(=O)(=O)Oc1cc(-c2c(C#N)cccc2)ccc1	166
+C(#N)c1c(-c2ccc(cc2C)CC(C(OCC)=O)C(CCC)=O)cccc1	1251
+C1COC2(O1)CCC(CC2)N3C(=O)C(Cc4sc(cc4)-c5c(C#N)cccc5)=C(CCC)n6c3ncn6	3241
+C1COC2(O1)CCC(CC2)N3C(C(=C(CCC)n4nccc34)Cc5cc(c(-c6ccccc6C#N)cc5)C)=O	3242
+C(=O)c1c(cccc1)C=2CCCCC=2	3243
+NC(=O)c1c(ccc(F)c1N)F	1079
+C(#N)c1c(-c2cc(N)cc(F)c2)cccc1	0
+C(#N)c1c(cccc1)-c2cc(ccc2)NC3=C(C(=O)N(C)C=C3)N	3244
+c1(I)ccc(C(=O)O)c2ccccc12	944
+CC(C)(C)[Si](C)(C)OC1C(C(Nc2c3c(cccc3)c(C#N)cc2)=O)N(CC1)C(=O)OC(C)(C)C	33
+C(#N)c1c2c(c(I)cc1)cccc2	1252
+c1cc(ccc1C#N)C(=O)NNC(=O)C(C(O)C)Nc2ccc(c3ccccc23)C#N	708
+c1cc(C#N)c2c(cccc2)c1CBr	29
+NC(=O)c1c2c(cc(CC(C)NCCOc3ccccc3OCC)c1)CCN2CCCO	216
+NC(=S)c1cc(c2sccc2c1)O	5302
+C(#N)c1c2ccccc2c(NC(C(C)O)C(O)=O)cc1	945
+C(#N)c1ccccc1-c2cc(ccc2F)Br	1078
+C(#N)c1ccccc1-c2c(ccc(N)c2)F	0
+CC1(C)OB(OC1(C)C)c2ccc(c(-c3c(C#N)cccc3)c2)F	17
+C1CN(CCC1Oc2cc(ccc2Br)F)c3nnc(C#N)s3	2339
+O=S(=O)(c1ccc(c(Cl)c1C=2CC(ON=2)C)C(=O)OC)C	1820
+CC(C)(C)OC(=O)NC(CC=C)c1cccc(-c2n(ncc2NC(C(C=C)C)=O)C)n1	3245
+CC(C)(C)OC(NC(c1ccnc(-c2c(cnn2C(F)F)NC(C(C=C)C)=O)c1)CC=C)=O	3245
+c1ccccc1-c2nc3CCCN(CCCC=CCC(=O)OC)c3nc2-c4ccccc4	5303
+c1cc(ccc1)C(CO)NC(C(CC=C)C)=O	9
+c1ccccc1C(NC(C(C)CC=C)=O)COC(C(C)CC=C)=O	27
+C(CC)C(CCC)C(NC(C(OC)=O)CC=C)=O	188
+CC(C)(C)OC(=O)N(C)C(CC=C)C	23
+CC(C)(C)OC(NC(C(=O)O)CC=C)=O	403
+Clc1cccc(Cl)c1C(=O)NC(CC=C)C(O)=O	946
+CC(C)(C)[Si](C)(C)OC1CC(C(=C1)CC=C)=O	947
+C(CCC=C)(=O)CCCCl	5304
+O=Cc1cc(cc(c1OCCC=C)F)Br	3246
+c1cc(ccc1OCCC=C)C#N	3246
+c1cc(ccc1)-c2c(nc3CCCN(c3n2)CCCC=C)-c4ccccc4	1821
+C(=C)CCCn1c2c(cccc2C=C)cc1	339
+C1N(CCCC=C)C(=O)CCCCC1	638
+CC(C)(C)OC(C(CN(S(=O)(=O)c1c(cccc1)[N+](=O)[O-])CCCC=C)C(=O)OC)=O	831
+c1cc(ccc1)C(c2ccccc2)(C(CCCC=C)O)CC(C)N(C)C	5305
+c1nc2N(C(N(C(=O)c2n1C)CCCC=C)=O)C	1474
+c1(cc2c(O)nc(nc2cc1)CCCC)-c3nnn(n3)CCCC=C	3247
+C(OC)(=O)C(C(C)O)CCCC=C	770
+C1(N(CCCCC=C)C(C(=CN1C)C)=O)=O	5306
+c1cc(ccc1C)S(=O)(=O)OCCCCC=C	36
+O=S(=O)(CCC(OC)=O)NCCCC=C	111
+CC(C)(C)OC(=O)N1CCc2cc(OCCCCN(C)CC=C)ccc12	5307
+c1cc(ccc1)C(=O)N(CCC=C)C	115
+C(O)(CCC=C)c1cc2c(c(c1C=C)F)n(cc2)C	5308
+c1ccccc1CCCCOCCC(O)CCC=C	5309
+OC(CCc1ncsc1)CO	3248
+Cc1c2c(c(OCC=C)cc1)c(c(c(n2)O)C)C	3249
+FC(F)(F)c1cccc(C2N(C(=O)C(CC=C)C2)c3ccc(cc3)Oc4ccc(cc4)Cl)c1	5310
+c1c(c(c(c(C(C)=O)c1)C)C)OCC=C	3249
+O=C(N(CC=C)C1C(C(C(O)C(O1)CO)O)O)NCCCl	5311
+CC1(C2CN(C(=O)C12)CC=C)c3cc([N+]([O-])=O)ccc3	5312
+O=S(=O)(c1c(c(c(C(O)=O)cc1)C)NCC=C)C	5313
+CCCCCCCCCCCCNc1c2c(nc(NCC=C)n1)ccc(c2)[N+](=O)[O-]	5314
+c1ccccc1COC(NCCCCCCCC(NCC=C)=O)=O	1475
+CC(C)NC(N1CCN(C(=O)C1)CC=C)=O	5315
+CC(C)(C)OC(N1c2c(cc(cc2)OCCCCN(C)CC=C)CCC1)=O	1822
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(CC2CCC(CC2)CCCCCN(CC=C)C)C	1822
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c3C=CN(C(c3ccc2C)=O)C(CN(C)CC=C)C	5316
+C1CCCC=C1CCC(OCC=C)=O	5317
+CC(C)(C)OC(NC(CCc1ccccc1)C(=O)OCC=C)=O	5318
+[O-][N+](=O)C([N+]([O-])=O)(C)COCC=C	5319
+c1cc(ccc1C2=NOC(C2)CO)Br	1820
+c1cc(ncc1Br)C2=NOC(CO)C2	5320
+c1cc(ccc1)Cn2cc(c3ccccc23)C=NOCC=C	506
+C(=C)CON1C(N2CC1C=C(C2C(=O)N)C)=O	5321
+O(c1nnc(SCC=C)c(c1C)C)CC	5322
+C1CCCCC1(CC=C)O	5323
+CC(C)(C)[Si](C)(C)OC(c1cc(Br)ccc1)CC(CC=C)O	3250
+c1cc(ccc1S(=O)(=O)C2C(COc3c(ccc(c23)F)F)CCC(CC=C)O)Cl	3250
+O=S(=O)(n1c2ncc(c(Cl)c2cc1)CC=C)c3ccc(cc3)C	276
+C1(N(C(N(c2c1nc(Cl)[nH]2)CCCCC)=O)CCCCC#N)=O	3251
+C1CN(CCP1(c2ccc(cc2)F)=O)Cc3ccccc3	5324
+CC(C)[Si](C(C)C)(C(C)C)Oc1ccc2cccc(C=C)c2c1	154
+c1cnc(c2c1c([N+]([O-])=O)ccc2)C#N	5325
+c1cc2cc[nH]c2cc1C3C(C(N(OC)C)=O)C3	3252
+c1cc(ccc1OC(=O)C=CC)C=O	2358
+c1c(OC)ccc(CCC(OC)=O)c1OC	159
+c1c(OC)c(ccc1C(=O)OC)Cn2c3cc(C=CC(NCCC)=O)ccc3cc2	190
+c1(CCC(OCC)=O)[nH]cc(c1)CCCC	1253
+CC(C)(C)OC(=O)N(CC(NCCNC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)C	9
+CC(C)(C)OC(=O)NCCNC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O	9
+c1cc(ccc1CO)NC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC	33
+C(C=O)C1CCCOC1	2359
+c1(CC[N+](=O)[O-])cc(C)cs1	5326
+C(NC(=O)C1C(CCCCCCCC)C1)CCCNC(=N)N	68
+Clc1cccc(Cl)c1-c2c(NC(NCCCCCCCC)=O)nc3c(cnc(n3)NCCCN4CCN(CC4)C)c2	1254
+CCOC(=O)C(C)c1c(OC)c(Oc2c(F)cccc2)ccc1	3253
+CC(C(=O)OCCN(C)CCOC)=C	2360
+C(CCCCCCCO)OC(=O)C(=C)C	2360
+C1CC(CCC1CCC)C2CCC(CC2)CCCOC(=O)C(C)=C	2360
+C1CN(CCN1CCNC(=O)C(C)=C)C=O	3254
+CC(C)(C)OC(N(CCN(Cc1c(-c2ccc(cc2)NC(C(=C)C)=O)nn(C3OCCCC3)c1)C)C)=O	5327
+CC(C)(C)[Si](C)(C)CCCOCC(O)CNC(=O)C(=C)C	3254
+c1cc(ccc1OC(=O)C(C)=C)C=O	3255
+c1cc(ccc1S(=O)(=O)ON=C(C#N)c2cccs2)OC(=O)C(C)=C	3255
+C(OC(=O)C(C)=C)(CC=C)C	5328
+C(c1ccc(C)c(c1)F)NC(C(CCBr)Br)=O	68
+FC(F)(F)c1ccc(cc1)CNC(C(Br)CCBr)=O	68
+O1N(CCC1)C(=O)C(Cl)C	1080
+c1cc(ccc1)CN(C(=O)C(C)Cl)C(CO)C	58
+C1CC12CCc3ccc(cc3C24N=C(C(N4)=S)C)Br	3256
+C1CC(CCC12Cc3ccc(OCCCF)cc3C24N=C(C(N4)=S)C)OC	3256
+CC(C)(C)OC(=O)NC(C(C)C(=O)OC)C(O)=O	403
+CC(NC(C(=O)NCC)CSC)=O	9
+c1(ncc(c(n1)C#Cc2c(cccc2)C(C(=O)N)C)Cl)Cl	838
+CC(C)(C)OC(N1CCC(CC1)n2cc(Nc3nc(C#Cc4ccccc4C(C)C(=O)N)c(cn3)C(F)(F)F)cn2)=O	838
+C(=O)(C)N1c2ccc(cc2CCCC1)O	173
+c12c(CCCCN1C(=O)C)cc(c(Br)c2)O	38
+C(CCS(C)=O)(C(=O)NCCCCCCCC)O	948
+CC(C)(C)OC(=O)CN(C(c1cccc(c1SC(C)=O)C)=O)C2CCCC2	3257
+CN(C)C=CC(=O)c1sc2ccc(Br)cc2c1C	277
+C1CC1(c2ccccc2CCc3nc(ncc3Cl)Nc4ccc(C(=O)C)nc4)C(N)=O	949
+O=C(C(CC(c1ccccn1)=O)=O)OC	5329
+c1c(oc2c1cc(cc2)F)CC	2361
+c1cc([N+]([O-])=O)c2cc(C(=O)C)oc2c1OC	2362
+C(=O)(C)c1oc2cc(C(=O)O)ccc2c1	1
+c1(C(=O)C)cc(c(Cl)s1)[N+](=O)[O-]	5330
+c1cc(c(CC)c2c[nH]nc12)Br	2363
+c1c2c[nH]nc2cc(C)c1I	2363
+C(OC)(=O)C1COCC(C1)O	167
+C(Nc1cccc(Cn2ncc3cnc(nc23)Nc4cnn(c4)C)c1)(C=C)=O	324
+C1C(CN1C(C=C)=O)CNc2nc(nc3c2scc3)Cl	709
+c1c(C#N)c(Cl)cc2c1c(ncn2)N3CC(C(=O)N)N(C(C=C)=O)CC3	5331
+C1C2(CC1)CNC(c3n2c4cc(ccc4c3)C(Nc5cc(c(cc5)F)NC(C=C)=O)=O)=O	324
+C1N(CC12CCCN2C)c3cc(OC)c(cc3NC(C=C)=O)Nc4nc(ccn4)-c5cnn6c5CCCC6	324
+C1C2CC3(CC(CC1(C3)O)C2)C(OC(=O)C=C)C	1255
+C1CC(CCC1CCCCCOC(=O)C=C)c2cccc(F)c2F	1255
+C1CN(CCC1)C(c2ccc(cc2)S(=O)(=O)N3CCC(CC3)NC(=O)C=C)=O	771
+O=S(=O)(c1ccc(cc1)NC(=O)C=C)NC2CCN(CC2)C(=O)OCc3ccccc3	324
+C1CN(CCN1C)c2nc(SC3CCN(CC3)C(=O)C=C)nc(c2)Nc4ncc(C#N)s4	709
+C1CN(CCN1C)c2ccc(Nc3nc4c(C=C(C(N4c5cccc(c5)NC(C=C)=O)=O)CC)cn3)c(OC)c2	324
+C1CN(CCN1C)c2ccc(cc2)Nc3nc4c(cccc4-c5cc(NC(=O)C=C)ccc5)cn3	324
+C1CN(CCO1)CCCOc2c(NC(=O)C=C)cc3c(c2)ncnc3N(C(C)=O)c4ccc(F)c(c4)Cl	324
+C1CN(CCN1c2cc(c(C#N)cc2)F)C(C=C)=O	709
+CC(C)(C)OC(=O)N1C(C(=O)OC)CC(CCNC(=O)C=C)C1	771
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC(=O)C=C	324
+CC(C)(C)OC(=O)N1CCC(CC1)CCNC(=O)C=C	771
+CC(C)(C)OC(NC(CCCCNC(C=C)=O)C(O)=O)=O	771
+CN(C)C1CN(CC1)c2cc(OC)c(Nc3nccc(n3)-c4c5n(nc4)cccc5)cc2NC(C=C)=O	324
+CN(C)C1CN(c2c(cc(Nc3nc(-c4c5ccccc5n(c4)C)ccn3)c(c2)OC)NC(C=C)=O)CC1	324
+CN(C)CCN(c1c(cc(Nc2nc(c(C)cn2)-c3cn(c4c3cccc4)C)c(c1)OC)NC(=O)C=C)C	324
+CN(C)CCN(c1c(cc(Nc2nccc(-c3c4c([nH]c3)cccc4)n2)c(c1)OC)NC(=O)C=C)C	324
+CN(C)CCN(C)c1cc(c(cc1NC(C=C)=O)Nc2ncc(C#N)c(-c3c4n(nc3)cccc4)n2)OC	324
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(c2c(F)c1)Oc4cccc(NC(C=C)=O)c4	324
+Clc1ncc(F)c(NC2CN(CCC2)C(=O)C=C)n1	709
+FC(F)(F)c1cc(Nc2nc(c(cn2)Cl)Nc3c(C(=O)NC)cccc3)cc(NC(C=C)=O)c1	324
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N(C2CCN(CC2)C(C=C)=O)C3CC3	709
+N#Cc1c(c2cc(cnc2nc1)NC(=O)C=C)Nc3cccc(c3)Br	5332
+C(Nc1cc(C)ccc1O)(C=C)=O	324
+O=C1C2CCCCC2C(=O)N1CCOCCOC(=O)C=C	1255
+c1cc(ccc1N(C)C(C2CCOCC2)=O)S(=O)(=O)N3CCC(CC3)NC(=O)C=C	771
+C(COC)Oc1ccc(Nc2nc(c(F)cn2)Nc3cccc(c3)NC(=O)C=C)cc1O	324
+c1(c(F)c(c(c(OC)c1)F)N2Cc3cnc(cc3C4(CC4)C2=O)CNC(C=C)=O)OC	771
+c1(c(Nc2c(cccc2)C(=O)NC)nc(nc1)Nc3cccc(CNC(C=C)=O)c3)Cl	771
+C(C(N(Cc1c(F)cccc1)CCn2c3ncnc(N)c3c(-c4cc(O)cc(c4)F)n2)=O)=C	709
+c12OCCOc1ccc(Oc3cc(Nc4cccc(NC(=O)C=C)n4)ncn3)c2	5333
+c1ccc(Cl)c(OCCC)c1CN(C)C(=O)C=C	5334
+c1cc(ccc1)Oc2cccc(c2)Nc3cc(Nc4cc(NC(C=C)=O)ccc4)ncn3	324
+c1cc(ccc1Oc2ccccc2)-c3c(c(nn3C4CCCN(C(=O)C=C)C4)N)C(N)=O	709
+c1cc(ccc1C(O)=O)C=Cc2ccc(cc2)OCCCCCCOC(C=C)=O	1255
+c1cc(ccc1N(CCCCCCOC(C=C)=O)CC)N=Nc2c(cc(cc2)[N+]([O-])=O)C#N	1255
+c1cc(ccc1C(=O)N2CC3(CC2CC(C)(C)C3)C)NC(=O)C=C	324
+c1cc(ccc1F)NC(=O)C=C	324
+c1cc(ccc1N2C(C(C)C)=Nc3c(Br)c(ccc3C2=O)NC(=O)C=C)Cl	324
+c1cc(ccc1OCCCCCCOC(=O)C=C)C=CC(=O)O	1255
+c1cc(ccc1Oc2c(cc(cn2)N3CCC4(C3)CN(C(=O)C=C)CC4)C(=O)N)Oc5cc(ccc5)F	709
+O=S(=O)(N1CCC(CC1)NC(=O)C=C)c2ccc(cc2)[N+]([O-])=O	771
+c1ccccc1NC(=O)c2ccc(cc2)-c3c(C(N)=O)ccc(C4CCN(CC4)C(=O)C=C)n3	709
+c1ccccc1N(C(=O)C=C)CCn2c3c(c(-c4cc(cc(O)c4)F)n2)c(N)ncn3	5335
+C(C(N(Cc1n(c2c(cccc2)c1)C)C)=O)=C	709
+n1c(NC(=O)c2ccc(-c3c4c(N)nccn4c(C5N(C(C=C)=O)CCC5)n3)cc2F)cccc1	709
+c1cc(ccc1Oc2c(cc(cn2)N3CCC4(C3)CCN(C4)C(C=CC)=O)C(=O)N)Oc5cc(ccc5)F	5336
+CC(C)c1ccc2nc(cn2n1)C	1823
+Cc1cn2ccc(cc2c1)C#N	5337
+c1(Br)c2n(cc(C(=O)OC)n1)cc(C)n2	5338
+n12cc(C)nc1c(cc(C(=O)OC)c2)OCc3c(F)cccc3	3258
+c1c(cc2c(oc(C(=O)C)c2)c1)Br	5339
+FC(F)(F)c1ccccc1C(=O)N2CCN(CC2)c3ccc4nc(cn4n3)CCCCC	1823
+c1cc(ccc1COC(CC(=O)OC)CCCCCCCCCCC)OC	1476
+CCCCC=1CC(n2c(N=1)ccn2)=O	5340
+C(C1c2ccccc2C(=O)N1)C(=O)OC	325
+c1cc(ccc1Cl)C(=O)CCC(C)=O	94
+C1COC(O1)(CCCCBr)C	381
+c1(ccc(c(C)c1)NC(c2cc([N+]([O-])=O)ccc2NC(=O)CF)=O)C	26
+n1nc([nH]c1)-c2c(NC(CN3C(=O)C=Cc4ccc(C#N)cc34)=O)scc2Br	1477
+c1cc(ccc1N2CCN(CC2)CCCNC(=O)CN3c4nccc(C)c4-n5cccc5C3=O)OC	9
+n1c([nH]c(C)n1)NC(C)COC	1478
+C1CN(CCN1C(COC)=O)c2c(C(C)=O)cc(c3cccnc23)Cl	58
+CC(C)(C)OC(=O)N1C(C)(C)OCC1CC(C(C)C)C(c2cc3c(cc2)n(cc3CCCOC)C)OC(COC)=O	204
+CC(C)(C)OC(=O)NC1c2ccccc2C(OCc3cc(ncc3)NC(=O)COC)CC1	195
+O=C(COC)N(OC)C	1080
+c1(nc2cc(Cl)c(Cl)c(NC(=O)COC)c2nc1OC)OC	308
+C(COC)(=O)Nc1cc(ccn1)Oc2ccc([N+](=O)[O-])c3ccccc23	195
+c1cc(ccc1Cl)CN2C(C(=NN(c3cccc(NC(=O)COC)c3)C2=O)OC)=O	26
+c1cc(ccc1F)NC(C2(CC2)C(=O)Nc3cc(c(cc3F)Oc4cc(ncc4)NC(COC)=O)F)=O	195
+c1cccn1-c2c(cc(cc2OCC)CN3CCC(CC3)Nc4nc5c(o4)cccc5NC(=O)COC)OCC	308
+s1c2sccc2c(C)c1	5341
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCC(OCC)=O)c1	1824
+C(=O)(Cc1ccc(c(c1)OC)Oc2ccc3c(cccn3)c2N)OCC	0
+c1cc(C(C)C(=O)OCC)cc2c1SCc3c(cccc3)C2=O	643
+C(=O)(Cc1cccc(NC(=O)c2cccc(-c3cc(ccc3)F)n2)c1)OCC	119
+CC1(C)OC(=O)C(C(=O)O1)C(=O)CCCCCCCCC	3259
+c1(OC)c(cc(OC)c(C(=O)CCCCCCCCC)c1)Cl	94
+c1cc(ccc1)COC(C(C)(C)CCOC(=O)CCCCCCCCC)=O	204
+O=S(=O)(Nc1scnn1)c2ccc(cc2)NC(=O)CCCCCCCCC	26
+c12OCOc1cc3C4(C(=O)N(c5c4cccc5)CCCNC(=O)c6sccc6Cl)COc3c2	1256
+O=C(NNC(=O)CCCCCC)c1cc2Cc3cc(CCCCCCCC)ccc3-c2cc1	3260
+C(=O)(N(C1Cc2cc(N)ccc2OC1)CCC)CC	0
+CC[Si](CC)(CC)OCc1nc(C(=O)C)n(COCC)c1	5342
+C1COCCN1Cc2cc(C(C)=O)c(Cl)s2	5343
+CC(C)(C)OC(Nc1c(CC(C)=O)c(F)ccc1)=O	5344
+c1(cccc(F)c1Cc2cc(c(OC)c(OC)c2)C(C)=O)F	586
+FC(F)(F)C(F)(F)C(=O)C=Cc1nccc(c1)Br	2364
+CC1(C)OB(OC1(C)C)c2cnc3N(CCCc3c2)C(N)=O	234
+O=S(=O)(OC(C)CCCCN1C(=O)c2n3c(N(CC3)C(C)=O)nc2N(C)C1=O)C	710
+c1(N2C(=O)NC(N(CC#C)C2=O)=O)c(Cl)cc(F)c(c1)NC(C)=O	5345
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)N2CC(CCC2)C(NCCC(=O)OC)=O	10
+c1ccc2C(=O)C(C(=O)c2c1)=NNC(=O)Nc3ccccc3O	5346
+CC(C)(C)OC(=O)CN(C(C(CSC(C)=O)C)=O)C1CC1	478
+CC(C)(NC(C(CC)Oc1cc2c(ccc(Br)c2)cc1)=O)COC	9
+O=S(=O)(NC1C(CCC1)C(O)=O)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4	71
+CC(C)(C)OC(=O)N1CC(NCC1)C(O)=O	5347
+C1C2COCC(CN1C(C=Cc3cc(OC)c(cc3NC(C)=O)Cl)=O)N2Cc4ccc(cc4)F	404
+C1CN(CCN1C(C=Cc2cccc(O)c2)=O)C	404
+c1ccccc1COc2cccc(C=CC(O)=O)c2	22
+c12CCC(Nc1ncc(C=CC(=O)N(C)Cc3c4ccccc4n5CCCc35)c2)=O	404
+c1c(CN(C(=O)C=Cc2cc3CN(C)CC(=O)Nc3nc2)C)c4[nH]ccc4cc1	404
+C(C=Cc1ccc(NC(C)=O)nc1)(OC)=O	3261
+C(c1ccc(cc1C)F)CC(=O)O	159
+C(c1ccc(cc1Cl)F)CC(=O)O	159
+c12n(C)c(CN(C(=O)C=Cc3ccc(nc3)N)C)cc1ccs2	404
+c1cc(C=CC(N(Cc2n(c3c(cccc3)c2)C)C)=O)cnc1N	404
+C(=CC(NCCC)=O)c1ccc2cc[nH]c2c1	711
+FC(F)(F)Oc1cc(C(C)NC(=O)C=Cc2ccccn2)ccc1	711
+C1CC1N2C(CC(=O)N(c3ccc(cc3F)I)C2=O)=O	2365
+C1CCCCC1N2C(=O)CC(=O)N(CCCC)C2=O	5348
+C1CCCCC1N2C(CC(N(c3ccccc3S(=O)(=O)F)C2=O)=O)=O	2365
+CC(C)CC=CC(O)=O	3262
+CC(C)Oc1cccc(c1)C(CC(=O)O)N	1479
+CCCCCCCCCCCC=CC(O)=O	3262
+C(CC(=O)CC(OCC)=O)CCCCCCCCCOC1OCCCC1	5349
+Cc1c(c(-n2c3c(cc(Cl)cc3)cc2)n(C)n1)C=CC(=O)O	3263
+OC(=O)C=Cc1ccc(C)c(C)c1	1081
+Clc1cc(cc(Cl)c1)C=CC(O)=O	1081
+FC(F)(F)c1ccc(C=CC(=O)O)c(c1)F	1081
+c1(ccccc1Cl)C(N)CC(O)=O	1479
+c1c(cc(cc1F)C(N)CC(=O)O)Br	1479
+Fc1c(ccc(C(N)CC(O)=O)c1)F	1479
+c1cc(ccc1)C(N)CC(O)=O	1479
+C(=O)(O)C=Cc1ccc(NC(C)=O)nc1	5350
+C(=O)(O)C=Cc1ccc(cc1C)F	1081
+C(=O)(O)C=Cc1ccc(cc1Cl)F	1081
+C(=O)(O)C=Cc1ncccc1	3264
+O=S(=O)(n1c2ccccc2cc1C=CC(O)=O)c3ccc(cc3)Br	3264
+C(c1cc(c(OC)cc1)OC)=CC(O)=O	1081
+c1ccccc1N2C(=O)CC(=O)N(C)C2=O	2365
+c1cc(ccc1-c2c(C=CC(=O)O)cnn2C)F	3263
+c1cc(ccc1C=CC(=O)O)OC(F)F	1081
+C(CC1c2c(CC1)cc([N+]([O-])=O)cc2)C(=O)O	31
+CC(C)(C)OC(CCCCBr)=O	5351
+c1cccnc1N2C(N(CC(Nc3cc4c(CC5(c6cccnc6NC5=O)C4)cc3)=O)CC2)=O	33
+C(C)C(CC)Nc1c(NC(=O)Cn2nccc2)cc(cc1)C(OC)=O	33
+[nH]1c(C(NC2CN(c3cccc(C(=O)OC)c3)C2=O)=O)c(Cl)c(c1C)Cl	712
+c1cc(ccc1NC(=O)c2c(Cl)c(c(C)[nH]2)Cl)C#C	187
+c1cc(c(c(C(Cl)=O)c1OC)F)OC	82
+C1CCC(C1)n2c(c(c3cnc(nc23)Cl)C)C(OC)=O	5352
+c1c(F)c(c(cc1)F)-c2noc(C)c2C(=O)OC	2366
+c1ccccc1C(n2c(C)c(c3c2nc(Cl)nc3)C(OC)=O)C	5353
+c1cc(ccc1)C(C)N2C(=O)CC(C2)CC(C)C(=O)OC	5354
+C(=O)(OC)C(C)c1c(F)cc(C)c(F)c1	3265
+C(=O)(OC)C(C)c1cc(F)c(cc1F)CBr	29
+C(=O)(OC)C(C)c1cc(F)c(cc1F)N	0
+c1ccccc1C2CC2C3CC(=C)C(=O)N3C	5355
+c1cc(ccc1C(=O)O)SCCCCCCCCCC(OC)=O	636
+C(OC1CN(CC1Nc2nc(cnc2CC)CC)C(OC)=O)C	66
+C(CNC(OC)=O)ON=C(C)c1nc2n(Cc3ccc4ncccc4c3)nnc2nc1	101
+O=C(OC)N1CC(C(OCCF)C1)Nc2c(nc(c(CC)n2)-c3ccc(OC)cc3Cl)CC	66
+C1C2CC3CC(CC1C3(C#N)C(OC)=O)C2	5356
+C1CCCCC1(C)c2cc(ccc2OC(=O)OC)F	644
+c1cc(ccc1)CN2CCC(CC2)(c3cccnc3)N(C)C(=O)OC	66
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ccc(cn5)CN(C(OC)=O)CCOC)s4)ncc3	66
+C1CC1NC(Nc2ccc(cc2)-c3nc(N4C(COCC4)C)c5CN(Cc5n3)C(OC)=O)=O	66
+C1CC1Nc2cc(nc3c(C=O)cnn23)NC(=O)OC	278
+C1CCC(C1)c2cc(Cl)ccc2OC(=O)OC	644
+C1CCC(C1)c2c(ccc(c2)CCC(OCC)=O)OC(=O)OC	644
+c1cc(ccc1OC)CCN(C(OC)=O)C2CCCC2	66
+C1CN(CCC1OC(=O)NC2(CCCCC2)C(OCc3ccccc3)=O)C(OC)=O	66
+C1CN(CCC12NC(=O)C(c3c(C)ccc(C)c3)=C2OC(OC)=O)OC	5357
+C1CN(CCN1C(=O)OC)C(C#Cc2cccc(c2)Cl)CC	66
+c1ccccc1Cc2c3ccccc3c(N4CCN(CC4)c5ncc(NC(=O)OC)cc5)nn2	950
+C1CN(CCC1CCC(O)=O)C(OC)=O	66
+C1CN(CCC1CO)C(=O)OC	66
+C1CN(CCN1c2ncc(cc2)-c3cn4c(nc3)ncc4C5(CC5)c6cc7cccnc7cc6)C(OC)=O	66
+C1C(CN1C(OC)=O)c2nc(no2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C	66
+CC(C)(C)C(C(=O)O)NC(OC)=O	544
+CC(C)(C)NS(=O)(=O)c1c(C(OC)=O)ccc(CCNC(=O)OC)c1	101
+CC(C)(C)OC(=O)N1CC(CCC1)C(c2cc(Cl)cc(c2)F)OCCNC(=O)OC	101
+CC(C)(C)OC(=O)N1CCN(C(=O)OC)CC1CCO	66
+CC(C)(C)OC(=O)NC1C(=O)N(Cc2ccc(cc2)-c3c(cccc3)CNC(=O)OC)c4c(cccc4)CC1	101
+CC(C)(C)OC(N(Cc1c(ccc(CCNC(=O)OC)c1)Cl)C2CC2)=O	101
+CC(C)(C)c1ccc(c(Cl)c1)OC(OC)=O	644
+CC(C)C(NC(=O)OC)C(O)=O	544
+CC1(C)C=C(C)c2c(N1)ccc(c2CNc3ccccc3OC)-c4ccc(OC(OC)=O)cc4OC	644
+CC1(C)Nc2ccc(c(COc3c(C)ccc(c3)F)c2C(=C1)C)-c4c(OC)cc(OC(=O)OC)cc4	644
+Clc1c(c2cc(C)n(C(=O)OC)c2cc1)[N+]([O-])=O	1825
+c1(ccc(C)n1-c2c(Cl)c(C(=O)OC)c(cc2)F)C	1826
+Clc1cc(NC(OC)=O)c(c(Cl)c1)[N+]([O-])=O	90
+c1c(Cl)cc(cc1-c2nn(cc2Cl)C(=O)OC)Cl	3266
+Clc1cc(ccc1)NCCCNC(OC)=O	101
+Clc1cccc(c1)-c2c(ccc(COC(=O)OC)c2F)OC	405
+Clc1c(c(F)ccc1)C(=O)OC	1826
+c12c(Br)cccc1c(n(C)n2)C(=O)OC	5358
+FC(F)(F)Oc1ccc(cc1)CC2CC(CCN2C(OC)=O)C(OC)=O	66
+FC(F)(F)S(=O)(=O)N(c1ccccc1CN2CC(C)(C)COC2=S)C(=O)OC	3267
+FC(F)(F)c1c(C(NC(CNC(=O)OC)C(=O)NC)=O)cn(C)n1	101
+FC(F)(F)c1ccc(c(CN(Cc2ccccc2)C(OC)=O)c1)-c3c(ccc(c3)CC(OC)=O)OC	66
+O=C1C=C(OCc2c(cc(cc2)F)CNC(OC)=O)C=C(C)N1c3c(ccc(C(=O)OC)c3)C	101
+c1(COc2nc3c(c(N4CCN(CC4=O)C(=O)OC)cn3CC)cc2)ncccc1	1827
+C(NC(CO)C)(=O)OC	101
+C(OC)(=O)NC1(C(CO)C1)c2cc([N+]([O-])=O)ccc2	101
+C(OC)(=O)Nc1cc(Cl)c(C)cc1	90
+N=1OCC2C(O)C(C(CC=12)OCOC)OC(=O)OC	405
+O=S(=O)(C)N(N1C(N(c2c(cc(-c3ccnn3C)c(C(C)C)c2)C1=O)C(=O)OC)=O)C(=O)C	5359
+O=S(=O)(Nc1ccc(F)c(NC(=O)OC)c1)CC	90
+O=S(=O)(c1ccc(cc1Br)F)N(c2ccc3c(c2C(=O)OC)OCC4CC34)C(=O)OC	3267
+S(CCOc1ccccc1NNC(=O)OC)C	5360
+c1(N2CC(CNC(OC)=O)OC2=O)ccc(I)c(F)c1	101
+c1(N2CC(OC2=O)Cn3nncc3)ccc(N4CC(NC(OC)=O)CC4)c(F)c1	101
+c1(c(F)ccc(c1)NC(OC)=O)[N+]([O-])=O	90
+c1cc(OC(=O)OC)c(C)cc1Br	644
+c1c(cc(c(Cl)c1)CNC(OC)=O)Br	101
+c1cc(cc(CC)c1OC(=O)OC)F	644
+c1cc(cc(Oc2cccc(C#N)c2)c1OC)COC(=O)OC	405
+c1cc(ccc1)-c2nc3ccccc3c(C(=O)NN(C(=O)OC)c4ccccc4)c2C	3268
+C1CN(CCN1C(=O)C2N(C(OC)=O)CC(CC2C(=O)OC)OC)c3ccccc3	1827
+c1cc(ccc1)S(=O)(=O)n2ccc3c4n(C5CC(NC(=O)OC)CC5)nnc4cnc23	101
+c1cc(ccc1-c2nn(CC)cc2-c3c4cc[nH]c4ncc3)NC(=O)OC	90
+c1cc(ccc1Br)C2(CCN(CC2C)C(OC)=O)O	66
+c1cc(ccc1Br)C2CCN(C(=O)OC)C2	66
+c1cc(ccc1CCNc2nc(nc(-c3cc(ccc3)S(=O)(=O)NC(=O)OC)c2)OC)OC	3269
+c1ccccc1-c2nc(no2)-c3ccc(cc3)NC(=O)OC	90
+c1ccccc1C(c2ccccc2)C(=O)N(CC)CC=CCOC(=O)OC	5361
+c1cc(ccc1)CC(C)N(Cc2cc(ccc2Oc3cc(ccc3)CC(OC)=O)Br)C(=O)OC	66
+c1cc(ccc1)CN(Cc2cc(Br)ccc2Oc3c(ccc(CC(=O)OCC)c3)OC)C(=O)OC	66
+n1(Cc2c3c(cccc3)ccc2)c(C(=O)OCC)c(CNC(OC)=O)c4cc(F)ccc14	101
+Fc1cc(ccc1F)COc2c(Cl)cc(C(=O)O)cc2	1
+Cc1cc(C#N)ccc1C(=O)O	1
+c1c(C#N)c(cc(C(=O)OC)c1C)[N+]([O-])=O	77
+C(c1c(C(=O)OC)ccc([N+]([O-])=O)c1)Br	29
+C(C1CN(c2c3c(nc(n2)-c4ccccc4O)cc(C)cc3)CCC1)NC(=O)OC5COCC5	101
+C1(C(C(n2cnc3cc(F)c(F)cc23)OCC1OC(=O)C)OC(=O)C)OC(C)=O	5362
+C(O)C(CO)CCC=C	1257
+c1cc(ccc1F)OCCC(C(OCC)=O)(C(OCC)=O)CCC=C	3270
+C(Cc1nc(ccc1)OC)(OCC)=O	2367
+CCOC(=O)C(C(=O)OCC)c1nc(NC(CCl)=O)sc1	290
+C1CCCc2c(C(=O)O)[nH]nc2C1	6
+O=C(CNC(c1c(OC(=O)C)c2c(cn(Cc3ccc(F)c(F)c3)c2c(n1)C#N)Cl)=O)O	1480
+C(O)(=O)c1sc(N2CCN(C2=O)Cc3ccc4nonc4c3)nc1C	6
+CCN(CC)CCOc1c(Cl)cc(Cl)c(c1)-c2nc(N)nc3sc(cc23)C(OCC)=O	8
+Nc1cc(cc(N)c1)C(=O)OCCCCCCCCOC(=O)C(=C)C	0
+C(c1c(C(=O)OC)cc([N+]([O-])=O)cc1)Br	29
+C(=O)(c1c(c(I)ccc1F)C)O	235
+c1(c(c(I)ccc1F)C)C(=O)OC	128
+c1c(OC(C)=O)c(c(C(=O)O)c(C)c1)C	225
+C(c1sc(C(=O)OC)c2c1CCC2)(C)=O	5363
+c1(c2c(c(F)ccc2)[nH]n1)C(=O)OC	226
+C(C)OC(c1c2ccc(O)cc2[nH]n1)=O	226
+C(=O)(c1c2ccc(O)cc2[nH]n1)O	5
+n12c(Br)nc(c1cccc2)C(N(OC)C)=O	3271
+c1cc(ccc1Cn2c(cc(n2)C(OC)=O)-c3ccc(Cl)c(C)c3)C	309
+C1(=C(C(NC(=O)N1)=O)CC)C(c2cc(C)cc(C=CC#N)c2)=O	3272
+C(=O)(c1cc(C)cc(C=CC#N)c1)c2nc(OC)nc(OC)c2CC	2368
+C(=O)(c1cc(C)cc(C=O)c1)c2nc(OC)nc(OC)c2CC	39
+C(c1c(C(=O)OC)cc(Cl)c([N+]([O-])=O)c1)Br	29
+CC1(C)OB(OC1(C)C)c2cc(c(Cl)cc2C)C(=O)OC	372
+n1c(c2occc2nc1Cl)Nc3cc(C(=O)O)[nH]n3	1
+C(=O)(c1cc([N+]([O-])=O)c(cc1Cl)OCC)OC	116
+Nc1cc(C(=O)OC)c(Cl)cc1OCC	0
+C(c1cc(cc(Br)c1CBr)F)(=O)OC	29
+c1c(C(OC)=O)nc(cc1Br)C(=O)O	1
+n1c(-c2cc(C)c(F)cc2)c(ccc1)-c3cc(C(=O)OC)c4n[nH]cc4c3	140
+c1cc(Cc2c3c(ccc(C(=O)OC)c3)n(C)c2)c(cc1C(=O)O)OC	1
+C(O)c1ccc([N+]([O-])=O)cc1F	98
+c1c2C(OC(=Nc2cc([N+]([O-])=O)c1)Cc3ccc(c(Cl)c3)Cl)=O	3273
+C(=O)(c1ccc(c2nn(C)cc12)F)OC	2369
+O(Cc1ccc(c2c1cn(C)n2)F)C	49
+Brc1ccc(cn1)C(=O)Nc2ncc(C(Nc3ncc(cc3)Br)=O)cc2	2370
+c1c(CO)cn2nc(nc2c1)Br	382
+c1ccccc1CNC(=O)c2ccc3n(ccn3)c2	56
+C(c1cc(ccc1)C(=O)OC)C(=O)O	4
+FC(F)(F)S(=O)(=O)Oc1cc2c(C(OC)=O)cccc2cc1	166
+C(=O)(c1cccc2ccccc12)c3c4cc(ccc4n(CCCCC)c3)O	5
+CC(C)(C)OC(=O)COc1cc2c(n(cc2C(c3cccc4ccccc34)=O)CCCCC)cc1	52
+c1cc(ccc1)CCNC(=O)c2ccccc2NC(=O)c3ccc(OC)c(Cl)c3	14
+c1(c(c(ccc1C)Cl)Nc2ccccc2C(OC)=O)Cl	128
+Cc1c(c(ccc1)Nc2ccccc2C(OC)=O)C	47
+c12c(c3c(Br)cccc3nc1cccc2)Cl	5364
+c1cc(ccc1)C(C(OC)=NC(C)(C)Cc2cc3OCOc3cc2)=O	5365
+c1cncc(NC(c2sc(cc2)Cl)=O)c1C(=O)O	1
+C1C(CC1)(C2CN(CC2)CC(O)c3c(C)c4COC(c4cc3)=O)NC(=O)c5ccc(-n6nnnc6)nc5	56
+C1CC(CCN1CC(c2ccc3c(COC3=O)c2C)O)(C)NC(c4ccc(-n5nnnc5)nc4)=O	56
+c1c(C(Cl)=O)ccc(C)n1	2371
+n1cc(Cl)nc(NC(C)c2cc(ccc2)NC(c3cnc(C)cc3)=O)c1	246
+FC(F)(F)C(C)(C)c1ccc(cc1)-c2noc(-c3cnc(O)cc3)n2	5366
+C1CC(CCN1c2cnc(CC)cn2)N(C3CC3)C(c4cnc(-c5ocnc5)cc4)=O	211
+C1CN(CCC1N(C2CC2)C(c3cnc(-c4ocnc4)cc3)=O)c5nc(no5)C(C)C	211
+CC(C)(C)OC(c1ccc(Br)nc1)=O	5367
+n1cc(C(=O)O)ccc1-c2ccc3cc(OC)ccc3c2	119
+C(=O)(c1cnc(cc1)CCC)O	587
+c1cc(cnc1C(=O)OC)C(Cl)=O	1082
+c1ccc(c2cc[nH]c12)-c3noc(-c4cnc(cc4)CCC)n3	1828
+C1CCC(C1)Oc2ccc(C(=O)O)cn2	91
+C1CCN1C(=O)c2cnc(Cl)cc2	211
+CC(C)(C)NC(=O)c1ccc(nc1)Cl	56
+CC(C)(C)Oc1ncc(cc1)C(=O)O	5368
+C(=O)(c1cnc(cc1)NCC)O	70
+FC(F)(F)Oc1ccc(cc1NC(=O)CN2CCOCC2)NC(c3cnc(cc3)Cl)=O	246
+C(=O)(c1cnc(cc1)NN)O	383
+c1(cc(F)ccc1)-c2ccc(C(=O)O)cn2	140
+c1cc(ccc1C(C)C)NC(=O)c2ccc(nc2)Cl	246
+c1cc(N)c(NC(c2cnc(Cl)cc2)=O)cc1	246
+c1ccccc1CNC(c2cnc(cc2)Cl)=O	56
+c1cc(ccc1)N2C=C(C(=O)c3ccc(cc23)Cl)CNC(c4cnc(cc4)Cl)=O	3274
+O=C(c1cnc(cc1)N)N2CCOCC2C	211
+CCC(=CC)C=CCNC(c1cnc(cc1)N)=O	3274
+C(C)OC(=O)c1cnc(cc1)N	342
+c1nc(ccc1C(=O)OC)NCC	342
+N1(N=CC(C1=O)c2c(OC)cc(C#N)cc2)c3ccc(C(=O)O)cn3	2372
+c1cc(ccc1C#N)C2C(=O)N(N=C2)c3ncc(C(O)=O)cc3	2372
+C1CC1CN2c3[nH]c(Cc4ccc(cc4)N(C(c5cnn(C)c5)=O)C)nc3C(=O)N(Cc6ccccc6F)C2=O	5369
+Cc1cc(cc(c1)NC(c2cc(nn2C)C)=O)O	772
+c1(Cl)ccc(cc1NC(c2cc(nn2C)C)=O)O	772
+c1ccc(NC(c2cc(nn2C)C)=O)cc1C#C	772
+C(=O)(c1nn(-c2cc(I)ccn2)c3ccc(OC)cc13)O	3275
+COc1cc2c(cc1)n(-c3cc(I)ccn3)nc2C(=O)N	247
+C1CC(CCN1CCNC(=O)NC)Nc2nc3c(cccc3)n2Cc4ccc(C)o4	588
+C(C)N(CC)c1nsc(NC(NC)=O)c1C#N	5370
+FC(F)(F)c1cc(ccc1F)NC(=O)c2c3ccc(cc3ccc2)Oc4ccnc(NC(=O)NC)n4	5371
+FC(F)(F)c1cccc(c1)NC(=O)Cc2nc(sc2)NC(=O)NC	1481
+N(C)C(Nc1cc2OCCc3c(-c2cc1)sc(c3)C(N(c4c(Cl)cccc4)C)=O)=O	406
+c12c(C(=O)N(C1=O)C3CCCN(C3)C(=O)NC)cccc2	384
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)NC(=O)NC)C	406
+c1cc(ccc1)NC(NC)=O	406
+c1ccccc1-c2c([nH]c(n2)SCCCCCN(C(NC)=O)CCCCCCC)-c3ccccc3	384
+C(C)OCc1nc2c(N)nc3c(c2n1NCCCNC(NCC)=O)cccc3	588
+C1CN(CCC1Nc2ccc(C(=O)c3c(F)cccc3)c(N)n2)C(NCC)=O	384
+C1CC2(CCN1C(NCC)=O)Oc3ccc(C=CC(=O)OC)cc3C(C2)=O	384
+C1CC1COc2cc3oc(N4CCC(CC4)OCC(C)NC(=O)NCC)nc3cc2	5372
+CC1(C)OB(OC1(C)C)c2cnc(NC(NCC)=O)cc2	1254
+FC(F)(F)c1cc(Cl)c(c(Cl)c1)Oc2cc(C)n(C(=O)NCC)n2	5373
+c1(cnc(NC(NCC)=O)cc1C(=O)OC)Br	1254
+CCNC(=O)Nc1ncc(I)c(Br)c1	1254
+CCNC(=O)Nc1nccc(Br)c1	1254
+c12c(sc(NC(NCC)=O)n1)c(nc(Br)c2)Br	1481
+COc1cc2sc(NC(NCC)=O)nc2cc1Br	1481
+C(NCC)(Nc1sc2cc(C#N)ccc2n1)=O	1481
+O=C(N1C(COc2c(c([N+]([O-])=O)ccc2)C#N)CCCC1)NCC	384
+c1(cc2c(ccc(c2)NC(NCC)=O)nc1O)C(=O)O	406
+c1c2C(c3cc(c(c(c3)OC)OC)Br)C(C#N)=C(N)Oc2c4nc(ccc4c1)NC(NCC)=O	1254
+c1cc(ccc1-n2c(nc3c2ncnc3NC4CCCN(C(NCC)=O)C4)-c5c(cccc5)Cl)Cl	384
+c1cc(ccc1Br)C2CC2CC(=O)NNC(=O)NCC	1829
+c1cc(ccc1-c2sc(nc2C)NC(=O)NCC)OC	1481
+c1cc(ccc1SC(CC)C)OCCOC(=O)NCC	3276
+c1ccccc1COc2cc(-c3c4c(N)ncnc4n(C5CC(C5)CNC(NCC)=O)c3)ccc2	588
+n1c2c(cccc2)c([nH]1)C=Cc3ccccc3NC(NCC)=O	406
+c1c(cccc1C2N3C(N(CCBr)C(=O)C3(C)Cc4c5cc(OC)ccc5[nH]c24)=O)O	2373
+c1c(cccc1C2N3C(N(CCBr)C(=O)C3(C)Cc4c5cc(OCC)ccc5[nH]c24)=O)O	2373
+C1CN(CCN1c2nccc(NC(=O)NCCC)c2)CC	406
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(=O)NNC(=O)NCCC	1829
+C1CCCCC1NC(NCCCC)=O	588
+CC(C)(C)OC(=O)N1CC(OC(=O)NCCCC)C(c2ccc(cc2)F)C1	3276
+O=C(n1c2cccc(c2cc1)C=O)NCCCC	5374
+O=S(=O)(c1ccccc1[Se]C)N=C=O	3277
+O=S(=O)(c1cc(I)ccc1C(=O)OC)NC(=O)NCCCC	1830
+O=S(=O)(c1c(csc1)C)NC(=O)NCCCC	1830
+O=S(=O)(N=C=O)c1ccccc1C(C)=C	3277
+O=S(=O)(NC(NCCCC)=O)c1ccccc1S(=O)C	1830
+CC(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)NCCCC	1830
+c1ccccc1COc2cc(-c3c4c(N)ncnc4n(C5CC(C5)CNC(NCCCC)=O)c3)ccc2	588
+c1(c(cccc1)-n2c3cccc(NC(NCCCCl)=O)c3cn2)F	406
+c1ccccc1C2c3[nH]c4ccc(OC)cc4c3CC5(C)C(=O)N(C(=O)N25)CCCCl	2373
+C1CC1CN(C(NCCCl)=O)C2OC(C(O)C(O)C2O)CO	5375
+c1cc(ccc1OC)CN(C(=O)NCCCl)C2OCC(C(C2O)O)O	5376
+C1CCCC1CC(C(NC(=O)NCCCl)=O)c2ccc(c(c2)Cl)Cl	5377
+C(Cl)CNC(=O)N1CCCC1=O	5378
+C1COCCC1NC(=O)NCCCl	588
+CC(C)(C)CCNC(NCCCl)=O	588
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)NC(=O)NCCCl	406
+CCOC(=O)c1c(C)nc(N2CCNC2=O)s1	3278
+C(Cl)CNC(=O)Nc1cccnc1	2374
+Clc1nccc(NC(=O)NCCCl)c1	406
+c1(ccncc1NC(=O)NCCCl)C	2374
+c1cc(ccc1C(OC)=O)-c2ccc(NC(=O)NCCCl)cc2C	406
+c1cc(ccc1-n2c(CCCNC(NCCCl)=O)c(C(NC3CC3)=O)nn2)C(=O)NCC	588
+c1cc(ccc1NC(=O)NCCCl)-c2nc3n(ncc3)c(NCc4c(cc(cc4)Cl)Cl)c2	406
+c1cc(ccc1NC(NCCCl)=O)NC(C)=O	406
+c1cc(ccc1)C(CC#C)NC(=O)NCCCl	588
+c1ccccc1CNC(c2sc(N3C(=O)NCC3)nc2C)=O	3278
+FC(F)(F)C1=CC(=O)N(C(N1)=O)c2c3OCCCc3c(Cl)cc2F	2375
+c1(cc2c(cccc2)cc1)NC(OCCN(C)C(=O)NCc3c(Cl)cccc3)=O	589
+C1N(CC1Oc2ccc(cn2)I)C(Nc3cnccc3)=O	5379
+OC(C)C1=C(C(C=C(C)O1)=O)O	3279
+OC(C)C1=C(C(C=CO1)=O)O	3279
+C1CC(CCO1)N(c2cccc(C(OC)=O)c2Br)CC	713
+C1CC(CCS1)N(c2c(c(cc(Br)c2)C(=O)OC)C)CC	713
+C1CC1(C#N)NC(=O)C2N(CC(S(=O)(=O)c3ccccc3Cl)C2)C(=O)C4(CC4)N5CCN(CC5)CC	61
+C1CN(CCN1c2ncccc2NCC)C(c3ncc(cc3)C(OC)=O)=O	839
+CC(C)(C)OC(=O)N1c2c(C3(CCN(CC3)Cc4ccccc4)C1)c(ccc2)C(C)O	1482
+CC(C)(C)OC(N1CC(c2ccccc2)N(CC)CC1)=O	61
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cccc(c2CC=C)C(=O)OC)CC	713
+CC(C)(C)OC(=O)n1nc(NCC)c2cc(C3C(=C(C)NC(=C3C#N)C)C#N)ccc12	2376
+CC(C)(C)OC(=O)N1CCC(CC1)N(CC)c2c(c(cc(Cl)c2)C(=O)OC)C	713
+CC(C)(C)OC(NC1C(N(Cc2ccccc2)c3c(cccc3C1)NCC)=O)=O	291
+C1(=O)c2ccccc2C(=O)N1C3CCC(CC3)OCC	5380
+CC(C)C(CN1CCC1)NCC	110
+CC(C)Oc1cc(ccc1[N+]([O-])=O)N2CCC3(N(CCC3)CC)C2	61
+CC1(C)OC2C(O1)C(OC2n3cnc4c(N)ncnc34)CNCC	110
+C[Si](C)(C)CCOCN1C(c2cc(ccc2N=C1n3ncc(C(OCC)=O)c3)NCC)=O	291
+FC(F)(F)c1ccc(C(N(OC)C)=O)c(c1)NCC	291
+FC(F)(F)c1cccc(C(Nc2ccc(c(-c3c(cnn3C)Cl)c2)OCC(C)(C)NCC)=O)c1	110
+c1(sc2c(c1)cc(O)c(Cl)c2Cl)C(O)C	5381
+c1cc(-c2nc3cccc(C(=O)N)c3[nH]2)c(cc1C4CCCN4CC)F	61
+OC(c1c(F)cnc(Br)c1)C	3280
+CC(O)c1c(Cl)c2c(cccc2)nc1	1831
+c1cc(cc(c1Cl)Cl)N=C(N)Nc2nc(cc(n2)C)NC3CN(CC)CCC3	61
+c1cc(ccc1)C(NC(=O)Nc2cc3c(c(NCC)n[nH]3)c(COC)n2)C	2376
+c1cc(ccc1NCC)C2(C(=O)c3c(cc(Cl)cc3NC2=O)Cl)C	291
+C1CC2(CCN1CC)Nc3c(sc(-c4ccncc4)c3)C(=O)N2	61
+C(C)(c1cc2c(nc1Cl)c(F)ccc2)O	1831
+C1CC1(c2ccc(cc2)-c3ccc(cc3)-c4c(c(C)no4)CN(CC)CC(C)c5ccccc5)C(=O)OCC	61
+c1ccccc1Cn2c(C)nc3cc(-c4oc5c(cccc5)n4)ccc23	5382
+c1ccccc1COc2c(C=CC=O)c(Cl)cc(c2)Cl	307
+CC(C)(C)c1nnc(NC(N(C(C)C=O)C)=O)s1	3281
+c1cc(ccc1)-n2cc3cc(cnc3n2)[N+](=O)[O-]	5383
+C(=O)C(NCCl)COC	5384
+ClCc1nnc(NC(=O)N(C(C=O)COC)CCl)s1	3281
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	110
+c1(cc(c(cc1)CNCC)-c2c(ccc(c2)CC(OC)=O)OC)OC	42
+FC(F)(F)C(O)c1c(cccc1)-c2csc(C)c2	714
+c1ccccc1C(=O)C2=Cc3c(cc(cc3OC2=O)OC)OC	5385
+C1CCCCC1c2ccccc2C=O	191
+c1(CO)cc2ccccc2nc1Cl	269
+FC(F)(F)C(O)c1c(cccc1)-c2cscc2C	714
+Oc1ccccc1C(CNC(=S)NC(c2cccc(O)c2)C)O	1832
+FC(F)(F)c1cccc(C(Nc2cccc(C(NNC(=S)Nc3c(cccc3)Cl)=O)c2)=O)c1	5386
+CN(C)S(=O)(=O)c1c(ccc(NC(Nc2c(cccc2)Cl)=S)c1O)Cl	773
+c1c(ccc(c1Cl)-c2nc(N(CCC)c3c(OC)ccc(C(=O)O)c3)sc2C)OC	1258
+c1cc(ccc1CN2c3sc(CC)cc3C(=O)N(C2=O)CC(c4n(C)c5c(cccc5)n4)=O)-c6c(cccc6)C#N	1833
+c1ccccc1CN2C(CN(CC2)c3cc(OC)cc(c3)OC)C(N)=O	1834
+C(N1C(C(N)=O)CN(CC1)c2cc(cc(Br)c2)OC)c3ccc(OC)c(c3)OC	1834
+c1ccccc1CN2CCN(CC2C(N)=O)c3ccccc3	1834
+C(C)OC(=O)c1nc(cs1)C(=O)O	5387
+COc1cc(ccc1Cl)Nc2scc(n2)C(=O)O	2377
+c1cc(ccc1O)-c2scc(C(=O)O)n2	1835
+C1CC(CCC1NS(=O)(=O)C(C)C)CNc2nc(cs2)-c3ccccn3	3282
+C1CN(CCO1)CC=C(C[N+](=O)[O-])C	3283
+O(C)C(OC)CN(C(=O)OCC)CC=CC	5388
+O=S(=O)(c1c(-c2ccccc2)c(cc(c1)C(O)=O)NCC=CC)N	5389
+c1cc(ccc1OCCOCCCC)-c2ccc3N(CCC(C(=O)OC)=Cc3c2)CC=CC	5390
+c1cc(ccc1C(N2CCC(C2)Nc3nc(c(C#N)cn3)-c4c5ccccc5[nH]c4)=O)NC(C=CCN(CCO)C)=O	2378
+c1cc(ccc1NC(C=CCN(C)C)=O)C(=O)Nc2cc(Nc3ccc(Cl)c(-c4c5ccccc5[nH]c4)n3)ccc2	2378
+c1cc(ccc1C(N2CCC(C2)Nc3nc(c(C#N)cn3)-c4c5ccccc5[nH]c4)=O)NC(C=CCN(C)C)=O	2378
+N(c1c(OC)cc2c(c(Nc3cc(Cl)c(F)cc3)c(C#N)cn2)c1)C(=O)C=CCBr	1259
+N(c1c(OCC)cc2c(c1)c(ncn2)Nc3c(F)c(c(Cl)cc3)Cl)C(=O)C=CCBr	1259
+N(c1c(OCC)cc2c(c1)c(ncn2)Nc3cccc(C#C)c3)C(=O)C=CCBr	1259
+c1c(c(cc(c1)Nc2c3c(cc(OCC)c(NC(=O)C=CCBr)c3)ncn2)Cl)OCc4cccc(F)c4	1259
+c1cc(ccc1Oc2ccccc2)N3c4c(N)ncnc4N(c5cc(ccc5)NC(=O)C=CCBr)C3=O	1259
+CC(C)(C)N(C)CC=CC(N1Cc2sc3ncc(c(Nc4ccc(F)c(Cl)c4)c3c2CC1)C#N)=O	5391
+C(Br)CCCCOc1ccc(cc1CCC(=O)OCC)CCCCC(=O)OCC	8
+c1(OC)n(c2nc(nc(N)c2n1)OCCCC)CCCCCBr	637
+C1CCCCC1(c2cc(Br)cc(Br)c2OC)C#N	2323
+C(CCCCBr)OC1=COC(CO)=CC1=O	3198
+CC(C)(C)OC(=O)N1CCC(CC1)OCCCCCBr	176
+C1CCCCN1CC(C)(C)O	2322
+C1CC(CCC1)(C(=O)OCC)C#N	5392
+Clc1ccc2c(OCCCCCBr)ccnc2c1	8
+c1ccccc1OCCCCCBr	8
+c1cc(ccc1SC(c2ccc(OC)c(c2)OC)CCCCCBr)C	5393
+C1CC(CCC1N(C(Oc2ccc(cc2)Cl)=O)C)OCCCCCBr	176
+c1ccc2ccc3c4c(ccc1c24)ccc3COCCCCCBr	176
+c1cc(ccc1C(c2ccccc2)=O)OCCCCCBr	8
+C(Br)CCCCCNc1c(O)cccc1	15
+c1c(c(ccc1)[N+]([O-])=O)NC(CCCCCN=[N+]=[N-])=O	310
+C(CCCC)CCOc1ccc2c(ncc(c2)C=O)c1	8
+O=Cc1cc(ccc1OCCCCCCC)Br	8
+c1ncn(c1)CCCCCCC#N	541
+CCC1(NC(C)(CC)CC2(C1C)C(N(C(N2)=O)CCCCCCCC)=O)C	3284
+O(CC)C(=O)C(C(=O)C)=NOCCCCCCCC	1071
+C(CCC)CCCCN=[N+]=[N-]	310
+O=Cc1cc(ccc1OCCCCCCCC)Br	8
+c1cc(ccc1-c2ccc(OCCCCCCCC)c(F)c2)C(=O)O	8
+n1cc(cnc1-c2c(F)c(F)c(cc2)OCCCCCCCC)-c3cnc(cc3)OCCCCCCCC	8
+C(Br)CCCCCCC(Cl)=O	130
+C1CN(CCC1Nc2c3c(nc(CC)c2CNC(CCCCCCCBr)=O)n(CC)nc3)C(N)=O	68
+CC(C)Oc1c(-c2cn(cn2)CCCCCCCC(OC)=O)cccc1	541
+O(C(=O)CCCCCCCN1C(Nc2ccccc12)=O)C	3285
+c1cc(ccc1OCCCCCCCCCCCCCC)C(OC)=O	8
+C1CC(CCN1CCCCCCCCCCCCO)C(=O)N	28
+CC(C)(C)[Si](C)(C)OCCCCCCCCCCCCBr	19
+c1cc(ccc1OCCCCCCCCCCCCO)C=O	8
+C1CN(CCO1)CCCCCCCCCCCCc2c3C(NC(c3ccc2)=O)=O	28
+C(CCCCCCCCCCCCCCl)CC=C	3286
+c1ccnc(c1)CN(CCCCCCN2CCc3c(cccc3)C2)Cc4ccccc4OC	28
+C(Br)CCCCCc1cccc(c1O)O	5
+c1(c(c(OC(C)=O)ccc1)OC(=O)C)CCCCCCBr	5394
+O(c1ccc(cc1CCC(=O)OCC)CCCCC(=O)OCC)CCCCCOc2ccc3c(OCCC3=O)c2CCC	8
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCCN4C(=O)C(=O)c5c4cccc5	28
+C(Br)CCCOCCCCCO	168
+C(Br)CCCOCCCO	168
+c12c(C(CCC3CCN(CCSc4c(ccc(F)c4)F)CC3CC(=O)OC)O)c(cnc1ccc(c2)OC)F	28
+O(C(=O)C1CN(CCSc2c(ccc(F)c2)F)CCC1CCC(=O)c3c4c(ccc(OC)c4)ncc3F)C	28
+O=Cc1c2c(c(cc1)[N+]([O-])=O)OCO2	3287
+c1c(F)c2c(OCO2)cc1F	3287
+c1cc(ccc1OC)SCCl	5395
+C1CC(CCC1)Cn2c3cc(c(F)cc3nc2-c4ccc(cc4OCc5c(cccc5)Cl)Cl)F	22
+CC(C)(C)c1nc2c(c(N3CC4(COC4)C3)n1)ccn2Cc5c(cccc5)Cl	1836
+CC(C)C(NC1Cc2c(CC1)n(c3ccc(cc23)OC)Cc4c(cccc4)Cl)=O	190
+c1c(C(=O)OC)cc2c(c(C(=O)CC)c(CC)n2Cc3ccccc3Cl)c1	190
+C(OP(OCC)(=O)Cc1ccccc1Cl)C	590
+O=S(=O)(C)N1CC(N(Cc2ccccc2Cl)c3ccc(C#N)c(Cl)c3)CC1	507
+c1c(C(=O)OC)cc2c(c1)c(c(n2Cc3ccccc3Cl)CCC)C(C)=O	190
+c12cc(n(Cc3ccccc3Cl)c1cc(C(=O)OC)cc2)CCC	190
+C1CN(CCN1Cc2c(ccc([N+](=O)[O-])c2)F)C	131
+CN(C)Cc1c(F)ccc([N+]([O-])=O)c1	131
+c1(COC)c(F)ccc([N+]([O-])=O)c1	149
+C(c1c(OC)c(Br)cc(c1)Br)C#N	163
+c1cc(ccc1)CN2Cc3c(C#N)cccc3C2	3203
+C(Br)c1cc(CO)c(cc1F)Br	49
+c1cc(ccc1-c2noc(c2)C(N)=O)OCc3cc(c(cc3)C)C	22
+CC(C)(C)c1cc2c(c(F)c1)C(N(N=C2)Cc3c(F)cc(c(CO)c3)Br)=O	3288
+C(C#N)c1cc(c(Cl)cc1F)OC	163
+c1(cc(c(OC)cc1F)Br)CSC	639
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(Br)cc(c3OC)C)=O	149
+O=S(=O)(Cc1c(F)ccc(F)c1)c2ccc(cc2)Cl	5396
+CC(C)(C)OC(C1=C(c2ccc(cc2)C)c3c(n(cc3)Cc4ccc5c(non5)c4)C(N1C)=O)C(OC)=O	3289
+C(=O)(OCC)c1sc(N2CCN(C2=O)Cc3ccc4nonc4c3)nc1C	1083
+[N-]=[N+]=NCc1ccc(Cl)c(Oc2c(c(F)cc(c2)Br)Cl)c1F	545
+[N-]=[N+]=NCc1ccc(Cl)c(Oc2cc(cc(Br)c2)C#N)c1F	545
+O(CC)P(OCC)(Cc1c([N+](=O)[O-])cc(OC)cc1)=O	590
+O=Cc1ccc(OCC)cc1[N+]([O-])=O	1837
+c1c(CCNCc2ccc3c(c2)nc(NC(C)=O)cc3)cc(cc1)F	370
+CNCc1ccc2cccc(Br)c2n1	3290
+O=Cc1c(c(C)ccc1)Cl	1483
+C1COCCN1c2cc3c(nc(C)n3Cc4cccc(C)c4F)c(C(=O)OC)c2	505
+C1CN(CCO1)c2cc(c3nc(n(Cc4cccc(c4Cl)Cl)c3c2)C)Br	505
+C1CN(CCO1)c2nc3c(c(c2)C(=O)OC)nc(n3Cc4c(c(Cl)ccc4)Cl)C	1484
+FC(F)(F)c1nc2c(C(OC)=O)cc(cc2n1Cc3c(c(Cl)ccc3)Cl)N4CCOCC4	505
+O=Cc1c(F)c(Cl)ccc1	5397
+Clc1ccc(c(C=O)c1)OCc2cccc(F)c2F	22
+C(n1c2c(c(I)n1)cnc(C)n2)c3cccc(F)c3F	1485
+c1(cc(nc(SCc2cccc([N+]([O-])=O)c2Cl)n1)O)C	3291
+O(CC)C(C(Cc1cccc([N+]([O-])=O)c1F)C(C)=O)=O	1251
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cccc3C(=O)COc23	131
+CC(C)(C)OC(=O)NC(C(NC1C(N(c2c(cccc2N3CCCC3=O)C1)Cc4ccccn4)=O)=O)CC(C)C	5398
+CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(c2CC1)OCc3ncccc3	951
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCc3nc(oc3C)-c4ccc(cc4)OCc5ncccc5	951
+c1cccc2C(=O)Nc3cccnc3N(C(=O)CCC#C)c12	3292
+C(O)C(NC(=O)c1cc(ccc1)C#CCCCC(=O)O)C	121
+c1cc(ccc1)Cn2cc(CCCC(O)=O)nn2	642
+C(CCCC(=O)O)CCC1C(C(O)C#CCCCCC)CCC1OC2CCCCO2	5399
+COc1ccc(C(=O)OC)c(C#CCCCCC)c1	1247
+C(OC)CCCCC#C	76
+C(OC(OCC)C#CCCCCCl)C	5400
+C(O)CCCC#Cc1cc2c(nc1)cccc2	2379
+c1(ncn(n1)-c2ccc(cc2OC)C#CCCCCO)C	197
+c1cc(ccc1C)S(=O)(=O)OCCCCC#C	36
+C1C2=C(CCC1)C(=O)N(C2=O)c3c(cc(c(c3)N4C(NC(=O)N(C4=O)CC#C)=O)Cl)F	2380
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)C1)CC#C	19
+o1cccc1C(CCC#CCCC(OC)=O)=O	5401
+c1cc(Cl)c(Br)cc1CCCCO	213
+c1cc(cc(C)c1OC)CCCCO	213
+O=S(=O)(OCCC#Cc1nc(ccc1)CF)C	7
+c1c(OC(C)=O)cc(cc1)CCCCO	213
+Clc1cccc(Cl)c1COc2ccc3n(CCCC#N)c(cc3c2)C(OCC)=O	339
+c1c(c(ccc1)N(C(c2cc(c(cc2)Cl)Br)=O)C)OCCCC#N	8
+c1cc2c(csc2cc1F)N3CCCN(CCCC#N)CC3	28
+c1ccccc1C2=CCN(CC2)CCCC#N	1822
+c1ccccc1CN(Cc2ccccc2)CCCC#N	28
+c1cc(ccc1OCCCC#N)CCCCNC(=O)OCc2ccccc2	8
+C(CC=O)CC(=CCc1c(OC)c(c(c(OC)c1C)C)C)C	3293
+Nc1ccnc(SCCCC#N)n1	3294
+C(CC#N)c1c(scc1)CCCO	3295
+C1CC1(C#N)c2c(F)cc3c(OCO3)c2	1486
+COc1cc2c(cc1)nc(Cl)cc2CCN	51
+c1c2c(cccc2)c(c(C)c1)CC(O)=O	3296
+C(N)(=O)Cc1cc(N)c(cc1)N	645
+COc1ccc(Br)c(c1)CC(=O)O	270
+c1(CC(OC)=O)ccc(C)c(C)c1	1838
+c1(F)c(F)c(c(cc1)CC(=O)O)C	508
+O=S(=O)(C)Nc1ccc(c(C)c1F)CC#N	80
+C(C#N)c1ccc(N)c(F)c1C	0
+c1cc(ccc1S(=O)(=O)N2CCC(CC2)(c3c(C)cc(cc3)F)C#N)C	3297
+c1c(c(c(Cl)cc1)C)CC(=O)O	479
+O=S(=O)(C)Nc1c(c(CC#N)ccc1)C	80
+c1(OCCOC)cccc(C(C(C)=O)C#N)c1OC	1260
+C(C#N)c1cccc(N)c1C	0
+c1c(c(C)c([N+]([O-])=O)cc1)CC(=O)O	508
+c1c(c(c(cc1)OC)F)CC(=O)O	479
+C1CCCC1Oc2cc(C3=NOC(CC(OC)=O)(C3)C(=O)OC)ccc2OC	5402
+C1(N(N=C(C#N)C(N1)=O)c2c3c(OC(C3)C)c(Cl)cc2)=O	3298
+c1(c(C(CCC2CCN(CCSc3c(ccc(F)c3)F)CC2CC(=O)OC)N)c4cc(ccc4nc1)OC)F	840
+CC(C)(NC(C(C)Br)=O)C(=O)O	5403
+O=S(=O)(c1ccccc1[N+]([O-])=O)N2c3ccc(C(C(C)Br)=O)cc3CC2	1792
+c1(ccccc1C)C(N2CCc3cc(C(C(C)Br)=O)ccc23)=O	1792
+c1c(C(=O)C)cc(NC(C(Br)C)=O)cc1	829
+c1c(c2n(cc1C(=O)N)c(C)c(n2)C)N	5404
+c1(Cl)nn2c(c(nc2c(OC)c1)C)C	5405
+c1(c(n2c(n1)ccc(I)n2)C)C	5406
+n1cc(ccc1)-c2c(C)nc(-c3ccc(OC)c(OC)c3)n2O	5407
+CC(C)(C)OC(=O)N1CC(N2c3nc(ccc3CC2C1)C(CCCCl)(C)O)C	938
+CN(C)CCCC(=O)C	53
+C(c1cccc(SCC(=O)C)c1)C(=O)O	1839
+C(c1cccc(c1)SCC(=O)C)(=O)O	1839
+C(CN1CCC2=C(C(Oc3cc(OC)ccc23)=O)C1)(=O)C	3299
+CC(C)(C)NS(=O)(=O)c1cc(cn2cc(nc12)C)Br	1261
+C(C)C(CC)c1cc(C)nn2c1nc(C)c2	3300
+C(Oc1cccc(C)c1)C(=O)C	1084
+c1(SCC(=O)C)ccc(F)c(Cl)c1	1839
+FC(F)(F)c1cccn2c1nc(C)c2	1261
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCC(=O)C)CC2	1084
+Fc1cccc(F)c1COc2c3nc(cn3ccc2)C	1261
+C(=O)(C)c1oc2c(cc(cc2)F)c1	5408
+c1c(nc(s1)-c2c3c(nc(N)n2)n(Cc4c(F)cccc4)cn3)C	2381
+n12c(c(Cl)ncc1)nc(C)c2	5409
+c1(cccc(c1)SCC(=O)C)Br	1839
+Cc1cc(ccc1-c2scc(C)n2)C(=O)OC	3301
+c12c(cc(C)c(Cl)c1)OC(C3=C2CCN(CC(=O)C)C3)=O	3299
+c1c(Cl)c(OCc2cccc(F)c2)ccc1Nc3ncnc4cccc(OCC(=O)C)c34	1084
+ClC(Cl)=CCOc1cc(Cl)c(c(Cl)c1)OCC(C)=O	1084
+c1c(cc2C3(c4cc(cnc4Oc2c1)OCC(=O)C)N=C(N)OC3)Br	5410
+c1cc(ccc1)Oc2cc(Cl)cnc2Nc3scc(C)n3	5411
+c1cc(ccc1OCC(=O)C)CO	1084
+c1cc(ccc1OCC(=O)C)F	1084
+c1cc(ccc1OCC(C)=O)OCC=C(C)C	1084
+c1c(nn2cc(C)nc2c1)Cl	3300
+c1(ccccc1NC(C)Cc2onc(C)c2)Br	231
+c1ccccc1-c2c3n(cccc3)cc2Cc4c(F)cccc4Cl	5412
+c1cc(ccc1OCCCCl)-c2nc(CC(=O)OC)co2	3302
+c1cc(ccc1-c2occ(CC(=O)OC)n2)O	3302
+[N-]=[N+]=NCCOCC(=O)CC(OCC)=O	3303
+C1CC1c2occ(n2)CC(=O)OCC	5413
+C1CCCCC1n2ncc(c2-c3ccc(cc3)F)-c4scc(CC(=O)OCC)n4	3304
+C1CN(CCC1)CC(CC(OCC)=O)=O	2382
+CC(C)(C)SCC(=O)CC(OCC)=O	5414
+CC(C)(C)n1c(Br)c(cn1)-c2nc(CC(=O)OCC)cs2	3304
+ClC(Cl)(Cl)c1nc(cc(O)n1)CCl	3305
+n1c(-c2ccco2)cc3N=C(CC(n13)=O)CCl	1085
+n1n2c(sc1C)nc(CC(OCC)=O)c2	5415
+C(Cl)C1=CC(Oc2c1ccc(c2Cl)O)=O	3306
+CCOC(=O)C(C1=C(SC2=NC(CCl)=CC(N12)=O)C)C	5416
+C(Cl)C1=CC(Oc2cc(ccc12)O)=O	3306
+C1=CC=C(C)N2C(C=C(CCl)N=C12)=O	5417
+FC=1C=CC2=NC(=CC(=O)N2C=1)CCl	5418
+c1cc(ccc1)-c2c3c(ccc(Cl)c3)nc(CCl)c2C(OCC)=O	5419
+c1ccccc1CCCOC(=O)CC(CCl)=O	3307
+c1c(OC)c(c(cc1C)OC)OC(=O)C(C(C)OC)Br	385
+c1c(ccc2N(C(CCc12)=O)C)C(C(Br)C)=O	94
+Cc1cccc(C)c1NC(CCBr)=O	26
+c1(c(NC(=O)CCBr)ccc(c1)F)[N+]([O-])=O	26
+c1cc(ccc1NC(=O)CCBr)N	26
+C1CC(CCN1C(=O)CCC(Br)C)C	58
+c1cc(ccc1)CC2COC(=O)N2C(=O)CCC=C	1840
+C1CC(CCN1c2snc(C(C)C)n2)NC(CCCBr)=O	68
+C1CC(CNC(CCCBr)=O)Cc2[nH]c3c(c12)c(ccc3C(=O)N)Br	68
+c1cc(ccc1O)NC(CCCBr)=O	26
+NC(=O)c1ccccc1NC(=O)CCCBr	26
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(=O)CCCCl	3308
+C1CN(CCN1Cc2ccccc2)CCC3(CCCC3)CNC(CCCCl)=O	68
+C1CN(CCN1c2c(OC)cncn2)CCCc3c4cc(NC(CCCCl)=O)ccc4[nH]c3	26
+CC(C)(C)OC(CCCCl)=O	5420
+CC(C)(C)OC(=O)NC(C(=O)NC1Cc2c(NC1=O)c(NC(CCCCl)=O)ccc2)CC(C)C	26
+c1(c(ccc(OC)c1Cl)C(=O)CCCCl)Cl	94
+C(C(=O)N(OC)C)CCCl	1080
+c1(c(c(C(=O)OC)cc([N+]([O-])=O)c1)F)NC(CCCCl)=O	26
+[nH]1cc(C(CCCCl)=O)c2cc(ccc12)F	432
+c1c2NC(CCc2cc(C(CCCCl)=O)c1)=O	94
+c1cc(ccc1-c2c(c3cc(Br)c(N4CCCC4=O)cc3o2)C(OCC)=O)F	5421
+c1cc(ccc1C(OC)=O)-c2c(cc(NC(=O)CCCCl)cc2)C	26
+c1cc(ccc1C(OC)=O)-c2c(nc(NC(CCCCl)=O)cc2)C	195
+c1ccccc1CN2CCC(CC2)N(C(C)C)C(=O)CCCCl	58
+CCN(CC)CC(=O)Nc1ccccc1S(=O)(=O)Nc2ccc3c(c2C(O)=O)CCCC3	5422
+c1c(CCNC(CCl)=O)ccc2OCOc12	68
+OCC(CO)(NC(=O)CCl)c1cccc(Br)c1	68
+C1(=O)C(C2N1C(=C(CS2)COC(C)=O)C(=O)OC)NC(CCl)=O	952
+C(Cl)C(=O)N1CC(CC1)F	58
+c1c2NC(Cc2cc(c1)C(CCl)=O)=O	94
+C1CC(C)N(C1C(=O)N)C(=O)CCl	3309
+C12C(CN(C1)C(CCl)=O)CCC2	58
+CC1CCC(C)N1C(CCl)=O	58
+C1CC(CCC1)Cn2c3c(OC)cccc3c(C(=O)CCl)c2	432
+C1CC(CCC1NC(CCl)=O)Nc2nn3c(ncc3-c4cccc(Cl)c4)cc2	68
+C1CC(CCC1NC(CCl)=O)O	68
+C1CN(CCC1COc2cc3c(c(ncn3)Oc4cc5c(c[nH]c5cc4)C)cc2OC)C(=O)CCl	58
+C1COCCC1Cn2c3c4c(ncc3nc2CCl)cccc4	546
+C1CC1(C(OC)=O)c2ccc(cc2)C(CCl)=O	94
+C1CC1C(CO)(NC(CCl)=O)c2cc(Br)ccc2F	68
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(cc5)CN6CCN(CC6)C(=O)CCl)s4)ncc3	58
+C1CC1c2sc(nn2)N3C(CCN(C)C3=O)OC(=O)CCl	204
+C1CCCC1n2c(NC(CCl)=O)c(nn2)C(N)=O	1841
+C1CN(CCN1C)CC(=O)Nc2sc3c(C#N)c(Oc4cc(ccc4)NC(=O)c5cc(C(C)(C)C#N)ccc5)ccc3n2	5423
+C1CN(CCO1)C(COc2cc(ccc2)NC(=O)CCl)=O	26
+CC(C)(C)OC(=O)NC1CN(C(CN2CCC(CC2)O)=O)CC1	5424
+C1CN(CCN1c2nc(N3CCC(CC3)C)c(cc2)[N+]([O-])=O)C(=O)CCl	58
+C1COC(O1)(C)C(O)CN(C(CCl)=O)Cc2ccccc2	58
+C1COCCN1c2cc(-c3c4c(ccc3)Sc5c(S4)ccc(NC(CCl)=O)c5)nc(O)c2	26
+O(c1cc(C23C(CC(CC2)NC(=O)Nc4ccc(F)c(F)c4)N(C(=O)CCl)CC3)ccc1OC)C	58
+C1c2c(CC1Nc3ncc4c(n3)CCN(C(=O)CCl)C4)cccc2	58
+CC(C)(C)NC(CCl)=O	68
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(NC(=O)CCl)c(cc2)Cl	26
+CC(C)(C)OC(N1CCN(CC1)C(CCl)=O)=O	58
+CC(C)(C)OC(=O)NCCc1ccc(cc1)NC(=O)CCl	26
+CC(C)(C)OC(=O)Nc1ncc(cn1)-c2nc3c(ncc(-c4cccc(NC(=O)CCl)c4)c3)c(N5CCOCC5)n2	26
+CC(C)(C)OC(N1CCC(CC1)(CN(C(CCl)=O)CC)O)=O	58
+CC(C)(C)OC(N1CCC(CC1)C(=O)NNC(=O)CCl)=O	5425
+CC(C)(C)OC(N1CCC(CC1)N(C2CCCCC2O)C(=O)CCl)=O	58
+CC(C)(C)OC(=O)NCCN(C1Cc2ccc(Br)cc2C1)C(CCl)=O	58
+CC(C)(C)[Si](C)(C)OC1CN(c2ccc3c(ccc(c3NC(=O)CCl)Cl)n2)CC1	26
+CC(C)(C)[Si](C)(C)OCC(C)n1c(nc2c1c(c(nc2Cl)C)C)CCl	546
+CC(C)(C)c1cc(c(c(NC(CCl)=O)c1)OC)S(=O)(=O)NC(C)(C)C	26
+CC(C)(C)c1c2OCC(=O)Nc2cc(c1)C(=O)C	646
+CC(C)(C)c1cccc(CN2C(=O)OC3C(CS(=O)(=O)CC23)Cc4cc(c(NC(=O)CCl)c(CC)c4)F)c1	26
+CC(C)Nc1cc(ncc1-c2nnc(CCl)o2)Cl	5426
+CC(C)[Si](C(C)C)(C(C)C)n1c2c(c(N(c3ccccc3)C(=O)CCl)ccc2)cc1	5427
+CC(C)c1cccc(C(C)C)c1NC(CCl)=O	26
+CC1(C)CN(c2cc(Cc3ccc(cc3)F)c(cc12)C#N)C(CCl)=O	192
+C[Si](C)(C)CCOCn1ccc(-c2nc3ccc(c(NC(=O)CCl)c3cc2)Cl)n1	26
+Cc1cc(cc(C)c1C(=O)CCl)NC(C)=O	94
+Cc1cc(cc(C)c1-n2c3nc(C)cc(c3nc2C)NC(CCl)=O)C	308
+c1(C)cc(cc(C)c1-n2cnc3c(cc(nc23)C)NC(CCl)=O)C	308
+Cc1cccc(C)c1NC(=O)CCl	26
+Cc1nc(nc(O)c1C)-c2ccc(NC(CCl)=O)cn2	308
+Clc1cc2C(=O)N(c3c(Cl)cccc3)C(=Nc2cc1)CCl	1842
+Clc1cc(cc(Cl)c1N2C=3C(=C(N2)C(C)C)C(=O)N=C(Cc4ccc(cc4)NC(=O)CCl)N=3)Cl	26
+c1(Cl)cc2C(=O)COc2cc1O	5428
+FC(F)(F)CN(CC)C(CCl)=O	58
+FC(F)(F)Oc1c(NC(CCl)=O)cc(cc1)C(=O)Nc2ccc(-c3ccccc3F)nc2	26
+FC(F)(F)c1cc(NC(CCl)=O)ccc1Cl	26
+FC(F)(F)c1c2N=C(N(c3c(Cl)cccc3)C(=O)c2ccc1)CCl	1842
+FC(F)(F)c1cc(C(Nc2cccc(c2)-c3n4c(cc(n4)-c5ccncc5)ncc3)=O)cc(NC(CCl)=O)c1	26
+FC(F)(F)c1cccc(N(C(CCl)=O)C)c1	192
+FC(F)(F)c1ccc(c(CN(C(=O)CCl)CC)c1)-c2cc(ccc2OC)CC(OCC)=O	58
+FC(F)(F)c1ccc(cc1)-c2cc(CO)c(cc2)NC(=O)CCl	26
+FC(F)(F)c1ccccc1-c2nc(c3cc(NC(=O)CCl)ccc3c2)O	26
+c1c(F)cc(cc1CC(NC(=O)CCl)c2ncccc2-c3cc(c(cc3)F)C(N)=O)F	68
+C(Cl)C(NC(CO)C)=O	68
+c1c(cc(c(Nc2c(c3n(ccn3)cc2C(=O)NNC(CCl)=O)Cl)c1)F)Br	1086
+c1c(cncc1C(=O)NNC(CCl)=O)Br	1086
+c1(C)c(cc(C#N)cc1)NC(CCl)=O	26
+C1(=O)Nc2c(F)c(ccc2OC1)CCCl	646
+C(C(Cc1c(c(NC(=O)CCl)c(cc1I)I)I)C(O)=O)C	26
+O1c2ccncc2NC(C1)=O	5429
+O1c2c(NC(C1)=O)ccnc2	5430
+C1CN(CC(C1NC(CCl)=O)O)c2c(c(N)cc(C#N)c2)Cl	68
+c1([N+]([O-])=O)ccc2N=C(OC(=O)c2c1)CCl	3310
+C1(=O)Nc2c(c(F)ccc2OC1)F	646
+c1([N+]([O-])=O)ccc(Br)c(NC(CCl)=O)c1	26
+N(C)c1ccc(Oc2ccnc(c2)NC(=O)CCl)cc1[N+]([O-])=O	195
+c1c2NC(=O)COc2c(c(F)c1)F	646
+C1(Nc2cccc(c2OC1)C(=O)C)=O	646
+C1(Nc2cccc(C(=O)OC)c2OC1)=O	646
+c1c(c(c(F)cc1)C)NC(CCl)=O	26
+O1c2c(NC(C1)=O)cccn2	5431
+O(C)c1cc2CCC(c3c(cc(cc3)OC)N(CC)C(CCl)=O)Cc2cc1	192
+c1c(OC)c(ccc1)N2C(=Nc3cccc(Cl)c3C2=O)CCl	1842
+c1cc(c(cc1CN2CCOC(C2)CNC(CCl)=O)Cl)Cl	68
+O=C(C(=NOC)c1csc(NC(CCl)=O)n1)OC	290
+c1cc(ccc1CCC(C(=O)OCC)(C(=O)OCC)NC(C)=O)Sc2ccc(cc2)C(=O)CCl	94
+O=Cc1c(c(C(CCl)=O)c(C)[nH]1)C	432
+O=S(=O)(c1cc(NC(=O)CCl)cc([N+](=O)[O-])c1)C	26
+O=S(=O)(c1c(cc(NC(=O)CCl)cc1)Cl)N	26
+O=S(=O)(c1ccc(c(Cl)c1)NC(=O)CCl)N	26
+O=S(=O)(c1cc(c(cc1)NC(CCl)=O)C)N	26
+c1cc(ccc1S(=O)(=O)C(F)F)-c2ccc(cc2)C(CCl)=O	94
+O=S(=O)(c1ccccc1)c2ccc3NC(=O)COc3c2	646
+OC(CO)CNC(CCl)=O	68
+c1c(c(ccc1C(CCl)=O)O)OC	94
+C1(=O)Nc2c(OC1)cccc2O	646
+C(Cl)C(c1c2cccnc2[nH]c1)=O	3311
+C1(Nc2c(c(c(c(Cl)c2)CC)Cl)OC1)=O	646
+O(C)c1cc2N=C(CCl)N(c3c(cccc3)Cl)C(=O)c2cc1OC	1842
+c1(OC)cc(cc(Br)c1)NC(CCl)=O	26
+C1CN(c2cc([N+]([O-])=O)ccc2S1)C(=O)CCl	192
+c1(c(sc(n1)NC(CCl)=O)C(=O)c2ccccn2)-c3occc3	290
+c1(c(C=2c3c(ccc(F)c3)-n4c(CN=2)nnc4CCl)cccc1)F	5432
+c1cc([N+]([O-])=O)cc2OCC(Nc12)=O	646
+c1cc(C)cc2OCC(Nc12)=O	646
+c12c(-c3c(c4c(cccc4)c(n3)O)C1)ccc(NC(=O)CCl)c2	26
+c1(C(CCl)=O)c2cc(Br)cnc2[nH]c1C	3311
+c12c(cccc1)CN(C2)C(=O)Nc3ccc(cc3)-c4noc(CCl)n4	2383
+c1c2c(C(NC(CCl)=O)C(O)C2)ccc1	68
+c12c(cccc1)nc(c3c2cccc3)CNC(=O)CCl	68
+c1(cccc(C)c1N(C(C)C(OC)=O)C(=O)CCl)C	5433
+c1c(F)cc(cc1C(NC(=O)CCl)CO)F	68
+c1c(cc(C(C)O)c(NC(CCl)=O)c1)Br	26
+ClCC(NC1c2c(CC1)cccc2)=O	68
+C(Cl)C(=O)N1CCCc2ccccc12	192
+C1N(c2ccc([N+]([O-])=O)cc2C1)C(=O)CCl	192
+c1cc(c(cc1Cn2c3cccc(NC(=O)CCl)c3cc2C(=O)OCC)Cl)Cl	26
+C1CN(C(=O)CCl)c2ccc(cc2S1)[N+]([O-])=O	192
+c1ccccc1C(CO)NC(=O)CCl	68
+c1cc(ccc1)C(C)(c2cc(Br)ccc2NC(CCl)=O)O	26
+c1cc(ccc1)C(c2c([nH]cc2NC(=O)CCl)C)=O	308
+c1ccccc1CN(C(CC)C(O)C)C(=O)CCl	58
+c1ccccc1NC(=O)CCl	26
+C(c1ccc(c(c1)-c2cc(C(CCl)=O)c(OC)cc2)OC)C	94
+c1ccccc1C(C)N2C(COC(c3ccc(cc3)Br)C2)=O	2384
+c1cc(ccc1C(C)C)C2=NC(=O)N(c3ccc(cc23)OCC#C)Cc4cc(NC(CCl)=O)ccc4	26
+c1cc(ccc1C)C(=O)NNC(CCl)=O	1086
+c1cc(ccc1OC(CCl)=O)C=C	385
+c1cc(ccc1Cl)-c2sc(c(C(=O)CCl)c2)C	1487
+C1CN(CCN1C(=O)CCl)c2ccc(cc2)F	58
+c1cc(ccc1C#N)NC(=O)CCl	26
+CC1(C)CC2(CC(C1)N(C(c3ccc(cc3)NC(=O)CCl)=O)C2)C	26
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3c4ccccc4C(NC(=O)CCl)CCC3	68
+c1cc(ccc1CN2C(C)COCC2=O)OC	2384
+c1cc(ccc1CC(N2CC(c3cccc(n3)Cl)OCC2=O)C)OCCO	2384
+c1cc(ccc1S(=O)(=O)n2ncc3c(-c4oc(CCl)nn4)cc(cc23)Br)C	5434
+c1cc(ccc1Sc2ccc(cc2)CCCC)C(=O)CCl	94
+c1c(cnc(c1)NC(CCl)=O)F	195
+c1ccc(cc1C#N)C(=O)NNC(=O)CCl	1086
+c1cc(ccc1)C(c2ccccc2)(CCN(C(CCl)=O)Cc3ccccc3)O	58
+c1cc(ccc1)C2c3ccccc3N(C2)C(=O)CCl	192
+c1ccccc1C=2c3c4c(c(OCC)cc3CC(C)(CNC(=O)CCl)N=2)OC(C)(C)C4	68
+c1ccccc1CCNC(=O)CCl	68
+c1ccccc1CN2CCC(CC2)NC(CCl)=O	68
+c1cc(ccc1)C(N(Cc2ccccc2)C(=O)CCl)C(C)O	58
+c1ccccc1COC(=O)C2OCCN(C2)C(CCl)=O	58
+c1ccccc1COc2cc(ccc2OCc3ccccc3)NC(=O)CCl	26
+c1ccccc1COc2cccc(c2)-c3ccc(Cl)cc3NC(CCl)=O	26
+c1cc(ccc1C(CCl)=O)Oc2ccc(cc2)CCCC	94
+O=S(=O)(c1ccccc1)c2ccc3c(NC(=O)CO3)c2	646
+c1ccccc1S(=O)(=O)n2c3cc(F)ccc3c(-c4cc(O)c(cc4)NC(CCl)=O)c2	26
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)-c4noc(CCl)n4	5435
+n1cc(-c2cc(NC(=O)CCl)ccc2)nc3ccccc13	26
+C(C1=C(N2C(=O)C(NC(Cc3c(cccc3)CN=[N+]=[N-])=O)C2SC1)C(O)=O)(Sc4nnn[nH]4)CC(=O)O	952
+C1CC23CCCCC2C(Cc4ccc(C(=O)C)cc34)N1C(Cc5occc5)=O	58
+CC1(C)CCOc2cc(C(CCCCC)=O)ccc12	586
+c1cc(ccc1)CC(CCCCC)=O	5436
+C(C(=O)C)c1cc(C)no1	591
+C1CN(CCN1CCCO)CC(NCCCCCCC)=O	1228
+C(C(=O)Cl)(C(OC)C)Br	141
+N1(C(C(=O)O)C)C=C(C(=CC1=O)c2c(ccc(Cl)c2)C#N)OCC	5437
+N#CC1=CN(C(C=C1Br)=O)C(C(=O)O)C	5438
+O1COc2c(cccc12)C(CO)CCCCC	21
+C1CC(CCC1)N2CC(CC2=O)C(=O)O	5439
+c1(N2C(CC(C(=O)O)C2)=O)ccc(c(C)c1)O	5440
+c1cc(ccc1N2C(=O)CC(C(O)=O)C2)C	1843
+c1cc(ccc1N2C(CC(C2)C(O)=O)=O)C3C(C3)C(=O)NCCCCCCCCCC	1843
+c1cc(ccc1N2CC(C(O)=O)CC2=O)F	1843
+c1ccccc1COc2ccc(cc2)N3CC(C(O)=O)CC3=O	1843
+C(C(CCC(Cl)=O)OC(C)=O)(=O)OCC=C	141
+C(O)CCC1CCOC1	647
+c1(cc2OCCc2cc1)C(NC(CCC3CCc4c(C3)nc5c(CCCN5)c4)=O)CC(OCC)=O	9
+[nH]1c2C(NC(CCC(OC)=O)Cc2c3cc(OC)ccc13)=O	5441
+FC(F)(F)c1c(c(F)ccc1)CN2C(C)=C(C(N(C2=O)CC(NCCCC(=O)O)c3ccccc3)=O)c4ccccc4Cl	110
+c1ccccc1CNC(c2sc(nc2C)NC(=O)CCCBr)=O	373
+c1(cc2c3c(C(N(C(=O)c3cc(c2)C(O)=O)CCCC(O)=O)=O)c1)[N+]([O-])=O	5442
+c12c3c(cc(c1)[N+]([O-])=O)C(N(C(c3ccc2)=O)CCCC(=O)O)=O	5443
+C(OCCOCC=CCBr)COCCOCCC(=O)OC	167
+c1(c2c(c(C)cc1)C(CCO2)=O)F	214
+c1(c(Cl)ccc2C(CCOc12)=O)Cl	214
+Clc1ccc2ccc(COc3cc4c(OCc5c(C4SCCC(=O)O)cccc5)cc3)nc2c1	3312
+c12c(nc(C=Cc3cc4c(OCc5c(C4SCCC(=O)O)cccc5)cc3)cc1)cc(Cl)c(F)c2	3312
+CN(C)CCNC(CCl)=O	9
+FC(F)(F)c1csc(-c2c(-c3cncc(C(=O)NNC(CCl)=O)c3)cnc(NC(=O)NCC)c2)n1	5444
+O(CC(=O)O)CCc1cccc(F)c1	1844
+c1c(Cl)c(c(cc1)Cl)CCOCC(=O)O	1844
+c1(n(c2cccc(F)c2n1)C)CCl	953
+c12ccccc1c(ccc2)CCOCC(=O)O	1844
+c12c(cccc1)ccc(c2)OCC(O)=O	1845
+c1cc(ccc1S(=O)(=O)C)C	5445
+c1cc(ccc1Cn2c3c(nc2CCl)cccc3)Cl	953
+c1ccccc1CCOCC(=O)O	1844
+OC(CN(CC(O)=O)CCNCC(OCC)=O)=O	1459
+C1CN(CCC1)c2nc(C=C3SC(=S)N(CC(=O)O)C3=O)cs2	3313
+s1c(nc(C=C2C(N(CC(O)=O)C(=S)S2)=O)c1)Nc3c(C)cccc3	3313
+C(N1C(C(=C(O)C=C1C)[N+](=O)[O-])=O)C(=O)OC	27
+C1C(C(OC)=O)N(C(=O)CN2CCCC2=O)CC1	478
+C(OC(CNC(CN1CCCC1=O)=O)=O)C	3314
+O=C(N(OC)C)Cc1c(F)cccc1Cl	164
+C(C(=O)N(OC)C)c1cc(C)no1	164
+c1cc(ccc1-c2cc(ccc2C)C(=O)NC3CC3)-c4nnc(CNC(Cc5cc(no5)C)=O)o4	9
+CCOC(Cc1ccco1)=O	939
+CCOC(Cc1ccsc1)=O	27
+C(C(=O)OC)c1n[nH]c2c1cccn2	27
+c1(c(c(ccc1)NC(Cc2c(Cl)cccn2)=O)C)Br	33
+CC(C)(C)NC(Cn1c(c(C)nc1)CN=[N+]=[N-])=O	9
+C1C(CN1C(=O)CCl)OC	5446
+c1nc(c2n1-c3cccc(Cl)c3C(N4C2CCC4)=O)-c5noc(CCl)n5	3315
+c1nc(c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C)-c4noc(CCl)n4	3315
+c1c(C)c(c(cc1)C)NC(C(OC)=O)C	3316
+Clc1cc(OC(C)C(OC)=O)c(cc1)C=O	289
+FC(F)(F)C1=CC(=O)N(c2cc(Oc3ccc(cc3)OC(C(=O)OC)C)c(cc2F)Cl)C(=O)N1C	289
+FC(F)N1C(=NN(C1=O)c2c(Cl)cc(c(OC(C)C(=O)OC)c2)C)C	289
+c1(C=O)cccc(OC(C)C(OC)=O)c1	289
+c1cc(ccc1C=O)OC(C)C(=O)OC	289
+c1ccccc1COc2ccc3c(ccn3C(C(OC)=O)C)c2	3317
+C(C(=O)OC)(C)c1ccc2Sc3ccc(N)cc3CC(=O)c2c1	0
+C1(Cc2cc(N)ccc2Sc3ccc(cc13)C(C)C(O)=O)=O	4
+c1ccccc1CC(C(NC(CCCc2cnc[nH]2)C(OC)=O)=O)NC(CCc3ccccc3)=O	188
+C1COC(O1)(c2ccc(CC(=O)NC(CO)C(OC)=O)s2)C	188
+C1COC(O1)(c2cc(ccc2)CC(NC(CO)C(OC)=O)=O)C	188
+O=S(=O)(NC(CO)C(=O)OC)c1ccc(cc1)Cl	592
+c1ccccc1COC(NC(C(OC)=O)CO)=O	544
+c1cc(ccc1S(=O)(=O)NC(CO)C(=O)OC)OC	592
+c1c2C(CC(=O)OC)c3ccccc3C(N(C)c2cc(OCCCCNc4[n+](cccc4)[O-])c1)=O	20
+C1CCC(C1)c2c(OCCCC(=O)OC)ccc(-c3c4c(c(Br)c5ccccc35)sc(C)c4C)c2	8
+CC(C)(C)OC(=O)N1CCN(c2c(c(C)cc3cccnc23)OCCCC(=O)OC)CCC1	8
+c1cc(ccc1-c2c(oc3ncnc(OC4CCCN(C4)CCCC(OC)=O)c23)-c5ccccc5F)OC	28
+n1ccccc1NCCCCC(OC)=O	2376
+c1cc(ccc1F)-c2cc(no2)C(NCCCC(=O)OC)=O	81
+c1ccccc1CN2C(=O)CCC(C2c3c(ccc(F)c3)F)[N+]([O-])=O	5447
+c12N(C(N(C(=O)c1cccc2)CC(OC)=O)=O)CC(=O)Nc3cc(Cl)c(OC)cc3OC	3318
+N(CCNC(c1nc(c(nc1N)N)Cl)=O)CC(NCCN)=O	248
+C1CCCC(n2nc(c3cccnc23)CC(OC)=O)O1	1846
+c1cc(ccc1[N+]([O-])=O)Cn2c3c(c(n2)CC(=O)OC)cccn3	1485
+O(C)c1c(ccc(c1)C=2CC(=O)NN=2)OC	5448
+FC(F)(F)S(=O)(=O)Oc1cc2ccccc2c(CC(OCC)=O)c1	166
+C(C(=O)c1c(-c2cc3ccc(cc3cc2)O)oc4ccccc14)CCC	5
+C(C(=O)c1c(-c2ccc3c(c2)ccc(OCC(=O)O)c3Br)oc4ccccc14)CCC	3
+C(C(=O)c1c(-c2ccc3c(c2)ccc(OCC(=O)OCC)c3Br)oc4ccccc14)CCC	52
+c1cc(ccc1)CC(C(=O)OCC)Oc2c(Br)c3ccc(-c4c(c5c(cccc5)o4)C(=O)CCCC)cc3cc2	3319
+C(C(=O)c1c(ccc(Cl)c1)O)CC(OCC)=O	27
+c1cc(ccc1F)CN2CC(C)N(CC2C)C(COc3ccc(cc3C(CCC(OCC)=O)=O)Cl)=O	648
+C(C(=O)c1cc(NC(C)=O)ccc1O)CC(=O)O	125
+C(C(=O)c1c(ccc(OC)c1)O)CC(OC)=O	27
+C(C(c1c(ccc(OC)c1)OCC2CO2)=O)CC(OC)=O	8
+C(C(=O)c1c(ccc(N)c1)O)CC(=O)O	0
+C(C(=O)c1c(sc2c1cccc2)-c3ccc4c(c3)ccc(OCC(=O)O)c4Br)CCC	3
+C(C(=O)c1cc(NC(C)=O)ccc1O)CC(OC)=O	167
+C(C(c1cc(NC(C)=O)ccc1OCC2CO2)=O)CC(OC)=O	8
+c1ccccc1NC(c2cccc(F)c2)C(OC)=O	5449
+c1(C(=O)OC)c(COC)nc(N)s1	5450
+c1ccccc1-c2nc(c(C)o2)CC(=O)OC	3320
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CC(OC)=O	5451
+C(C)(CCCC(C)CCC)(C=C)O	5452
+c12c(-c3c(cccc3)C1)ccc(CCC(=O)C)c2	1847
+OC(=O)C(C)Cc1c(cccc1)-c2ccccn2	3
+CC(C)(C)[Si](C)(C)OCC(CCCC(C1CCC2C3CC=C4C(C3CCC12C)(CCC(O)C4)C)C)C	19
+Cc1cc2c(OCC(=O)N2CC(C)CI)cc1	343
+O=S(=O)(OCC(C)Cn1c2ccc(cc2cn1)C)C	7
+c1c(cc(CC(C)N)c(C)c1)F	157
+c1c(cc(c(F)c1)CC(C)N)F	157
+CC(C(O)=O)c1ccccc1F	4
+O=Cc1c(O)c(cc(C(C(=O)O)CC(=O)O)c1)-c2cc([N+]([O-])=O)ccc2	4
+CC(C)(C)OC(NC(CC(=O)OCC)Cc1c(F)ccc(F)c1)=O	37
+c1[nH]c2CCCC(c2c1CCC(=O)O)=O	5453
+CC(C)(C)OC(N(C(C#N)CCCC(O)C)C)=O	23
+C(CCCCCCCCCOCC1OC1)OCC(CCCC)CC	649
+C1CN(CCO1)c2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2	79
+C1COCCC1Nc2c(c(C(=O)NCC(CN3Cc4c(CC3)cccc4)O)ccc2)C	231
+C(C(CNC(=O)c1cccc(c1C)N)O)N2CCc3ccccc3C2	0
+C1OC(CCC1)OCC(C)C=O	24
+C(C(Cc1c(c(NC(=O)CNCCNCCN)c(cc1I)I)I)C(O)=O)C	402
+Cc1cc(ccc1)Cc2[nH]nc(N)c2	3321
+C(C)OC(c1cnn(CC(Cl)=O)c1)=O	141
+c1(ccccc1C(Cl)=O)SCC	138
+O=C(C(c1c[nH]c2cc(CC)ccc12)=O)OC	715
+O=C(c1sc(C(NCc2ccc(c(Cl)c2)Cl)=O)cc1)Cl	1488
+C(Oc1cccc(C(Cl)=O)c1)CCF	138
+C(c1ccc(cc1Cl)F)CC(Cl)=O	141
+C1C(CC1CC#N)C(=O)Cl	141
+C1C(CC1C(Cl)=O)N=[N+]=[N-]	141
+C1CC(CCC1)C(C2CCCCC2)CC(Cl)=O	141
+C1COCCC1C(NC(Nc2ncc(cc2)Oc3ccnc(NC(=O)C)c3)=O)=O	1489
+C1CC1C=2Nc3ccccc3C4=NN(C(C=24)=O)c5ccc(cc5)C(Cl)=O	138
+C1CC1NC(=O)NC(c2c(F)c(C)c(I)c(F)c2)=O	5454
+C1CC1c2c(COc3c(cc(cc3)-c4c(C)c(n(C)n4)C(Cl)=O)C)c(N5C(=O)N(N=N5)C)ccc2	954
+C1CC1c2c(C)cc(C)c(CC(=O)Cl)c2	141
+C1CC2(CCC1)N(CC(=O)Cl)C(=O)C(c3ccc(cc3)OC)=N2	141
+C1CC(CCC1)CC(C(=O)Cl)C	141
+C1CCCCC1CCCCC(=O)Cl	141
+C1CCCCC1c2nc(c(C)o2)C(=O)Cl	3322
+C1CCCCN1CCC(Cl)=O	141
+C1CC(CCN1C(OC)=O)CCC(=O)Cl	141
+C1COCCC1CC(=O)Cl	141
+c1ccccc1CC(C)(C)C(Cl)=O	141
+CC(C)(C(=O)Cl)CCCCOCCCCCl	141
+c1cc(ccc1CCCC(=O)Cl)OC(C)(C)C(OCC)=O	141
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2cc3ccc(C(Cl)=O)cc3cc2)cc1)C	138
+CC(C)(C)OC(Nc1nccc(Oc2ccc(nc2)NC(NC(C(C)(C)C)=O)=O)c1)=O	1489
+CC(C)(C)C(NC(Nc1ncc(Oc2ccnc(NC(N3CC(N(C)C)CC3)=O)c2)cc1)=O)=O	1489
+CC(C)(C)C(NC(Nc1ncc(Oc2ccnc(NC(=O)N3CCN(CC3)Cc4ccccc4)c2)cc1)=O)=O	1489
+CC(C)(C)C(=O)Oc1cc2c(CC(CC2)c3ccc(cc3NCCCc4ccc(cc4)CC(Cl)=O)OC)cc1	141
+CC(C)(C)C1CCC(CC1)C(Cl)=O	141
+CC(C)(C)OC(CCSCc1cc(C(=O)Cl)ccc1)=O	138
+CC(C)(C)Oc1c(c(Cl)ccc1)C(Cl)=O	138
+CC(C)(C)[Si](C)(C)OCC1CCn2c(c(c3ccccc23)C(C(=O)OC)=O)C1	715
+CC(C)(C)c1ccc(C2CC2C(Cl)=O)o1	141
+CC(C)(C)c1sc(cc1)C2CC2C(=O)Cl	141
+CC(C)(CCCCCC)C(Cl)=O	141
+CC(C)(c1cccc(C(=O)Cl)c1)C#N	138
+CC(C)=CCCC1=CCC(CC(Cl)=O)CC1	141
+CC(C)n1c2c(ccc(c2)COC)c(c1)C=3C(NC(=O)C=3c4c5c(cccc5)n(c4)C)=O	5455
+CC(C)Oc1c(cc(C(Cl)=O)cc1)C#N	138
+CC(C)Oc1ccc(C(=O)Cl)cc1Cl	138
+c1ccccc1COc2c(C(C)C)cc(cc2)C(=O)Cl	138
+CC(C)c1cccc(C(C)C)c1C(Cl)=O	138
+CC1(C)C(OC(=O)C)CCC2(C1CCC3(C2CCC4C5C(CCC34C)(C(Cl)=O)CCC5C(=C)C)C)C	141
+C1C(CC1(C)C)C(NC(Nc2ccc(cn2)Oc3ncnc(-c4cnn(C)c4)c3)=O)=O	1489
+CC1(C)CC(CC(C)(C)O1)C(Cl)=O	141
+CCC(C)C(C(=O)Cl)F	141
+CCCCCCCCCCCC=CC(=O)Cl	3323
+CCCCCCCCCCCCC(=O)Cl	141
+O=C(C(=O)c1cn(c2c1cc(F)c(Br)c2)C)OCC	715
+O=C(C(=O)c1c2c(Cl)cccc2[nH]c1)OCC	715
+c1cc(ccc1)Cn2c3c(c(C(=O)C(OCC)=O)c2)ccc(c3)-c4cccc(Cl)c4	715
+C1(C(C(=O)Cl)=Cc2c(cccc2)N1C)=O	5456
+FC(F)(F)Oc1ccc(cc1)-c2ccc3c(C(=O)C(=O)OC)cn(c3c2)C	715
+O=S(=O)(c1cc(ccc1Cl)-c2[nH]c3c(cccc3c2C(=O)C(OC)=O)Cl)NC4CCCCC4	715
+O=S(=O)(c1cc(ccc1Cl)-c2c(c3c(cccc3)[nH]2)C(C(=O)OC)=O)Cc4cc(Cl)ccc4	715
+O=C(C(=O)c1c2cccc3c2n(CC3)c1)OC	715
+c1ccccc1COc2cc3c(cc2)c(c[nH]3)C(C(=O)OC)=O	715
+O=S(=O)(Nc1c(Cl)ccc(-c2[nH]c3c(cccc3)c2C(=O)C(=O)OC)c1)c4ccccc4	715
+COc1cc(cc(OC)c1)-c2cccc(C(Cl)=O)c2	138
+c1(C(Cl)=O)ccc(OC)cc1[N+]([O-])=O	138
+COc1cccc2n(CCF)c3c(C(C(Cl)=O)CCC3)c12	141
+c1c(C)c(c(cc1OCC2CN(C)c3ccccc3O2)C)C(=O)Cl	138
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(n(C)n4)C(Cl)=O	954
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(no3)-c4cc(c(cc4)C(Cl)=O)F	138
+C(Cl)(c1c(cc(Cl)c(c1)OCC=C)F)=O	138
+Clc1cc(c(cc1)C(=O)N=C=O)F	1490
+Clc1ccc(c(Cl)c1)CCCC(Cl)=O	141
+C(c1c(C)nc(Cl)nc1)(=O)Cl	3324
+FC(F)(C)c1nn2c(nc(c2)C(Cl)=O)s1	3325
+FC(F)(F)C(=O)NCc1c(cc(c(c1)C(N=C=O)=O)Cl)F	1490
+FC(F)(F)C(=O)NCc1ccc(Cl)c(C(=O)N=C=O)c1	1490
+FC(F)(F)C1(ON=C(c2c3c(c(s2)C(Cl)=O)CCCC3)C1)c4cc(Cl)cc(Cl)c4	1488
+FC(F)(F)C1=C(C(N(C(c2cc(-c3ccc4cc([nH]c4c3)C(=O)Cl)ccc2)=C1)Cc5c(cc(cc5)C)C)=O)C#N	954
+FC(F)(F)C=1N(C)C(=O)N(c2cc(c(Cl)cc2F)C(=O)Cl)C(=O)C=1	138
+FC(F)(F)CCOc1ccc(cc1)-n2c(nc(C(=O)Cl)c2C)-c3ccc(cc3Cl)Cl	3325
+FC(F)(F)c1nn(-c2c(Cl)cccc2)c(c1)C(=O)Cl	954
+FC(F)(F)c1cccc(c1)CC(Cl)=O	141
+FC(F)(F)c1cc(c(nc1)Cl)C(=O)Cl	2371
+FC(F)Oc1n(nc(c1Cl)-c2cc(c(cc2Cl)Cl)C(=O)Cl)C	138
+FC(F)c1nc(c(cc1C(=O)OCC)Cl)Cl	3326
+FC(F)c1c(cc(C#N)c(n1)Cl)C(OCC)=O	3326
+Fc1cc(c(C)cc1F)C(Cl)=O	138
+c1(F)cc(cc(F)c1)CC(=O)Cl	141
+Fc1cc(cc(F)c1C(=O)Cl)F	138
+C(Cl)(c1cccc(I)c1C)=O	138
+n1c(SC)nc2c(c(c(CC)n2Cc3cc(Cl)ccc3)C(=O)C(N)=O)c1OCC(OC)=O	5457
+c1ccc2C(=O)C(N3CCC(C(OC)=O)c1c23)=O	3327
+O=S(=O)(NC1CCCCC1)c2cc(ccc2Cl)-c3c(C(=O)C(=O)NC)c4c([nH]3)cccc4	5458
+O=S(=O)(C=C)c1ccc2c(sc(NC(=O)NC(=O)c3ccccc3Cl)n2)c1	5459
+C(=NC(=O)c1c(F)c(c(c(c1)F)F)OCF)=O	1490
+COP(OC)(C(C(Cl)=O)OC)=O	141
+CCN1c2c(c(OC)ccc2C3CCc4c(ccc(OC)c4)C3)C(C1=O)=O	3327
+O(CC)C(OCC)c1nc(C)c(C(Cl)=O)cn1	3324
+O(CC=C)P(OCC=C)(=O)OCc1c(cccc1Cl)C(Cl)=O	138
+c1ccc2n(cc(C(Cl)=O)c2c1F)Cc3c(F)cc(-c4cnn(C)c4)cc3	2371
+c1(c(c(ccc1F)C(Cl)=O)Cl)Cl	138
+O=S(=O)(CCC)Nc1ccc(Cl)c(C(Cl)=O)c1F	138
+O=S(=O)(N)c1c(cc(NCc2occc2)c(C(OCCCOC(CCC(=O)Cl)=O)=O)c1)Cl	141
+O=S(=O)(Nc1cc(C(Cl)=O)ccc1)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3	138
+O=S(=O)(c1cc2CCCN(C)c2cc1)Cl	1491
+c1cc(ccc1S(=O)(=O)Cl)O	1491
+O=S(=O)(Cl)c1cc(c(C)s1)C(=O)Cl	3328
+O=S(=O)(c1cc(F)c(C(Cl)=O)cc1)C	138
+c1cc(ccc1N(CC(OCC)=O)C)S(=O)(=O)Cl	1491
+O=S1(=O)N(C(C(Cl)=C1c2ccccc2)=O)C(C)C	3329
+C1(C(C(=O)Cl)CCCC1)C(=O)OC	141
+c1c(C)cc(cc1CC(Cl)=O)C	141
+c1(C)cc(cc(C)c1Oc2ccc(c(S(=O)(=O)Cl)c2)OCc3ccccc3)[N+]([O-])=O	1491
+C(Cl)(c1c(Cl)sc(c1)Cl)=O	3328
+C(Cl)(c1c(c(Cl)c(F)cc1)C)=O	138
+c1(cc([N+]([O-])=O)ccc1CC(Cl)=O)[N+]([O-])=O	141
+c1(c(cccc1)-n2c(OC)cc(C(=O)Cl)n2)F	954
+C(Cl)(c1c(c(C)ccc1)Cl)=O	138
+C(c1c2c(cc(Oc3ncnc(Cl)c3)cc2)ccc1)(Cl)=O	138
+O=C=NC(c1cc(F)c(I)cc1)=O	1490
+c1c(F)c(c(cc1OC)F)C(=O)Cl	138
+c1c(OC)c(c(cc1C(=O)Cl)OC)Br	138
+c1ccc(-c2ccc(OC)cc2OC)cc1C(=O)Cl	138
+c1c(C(Cl)=O)ccc(Cl)c1Br	138
+c1(ccc(OC)c(c1)OC)C(C(=O)Cl)C	141
+c1ccc(Oc2cc(C)c(OCC(=O)OCC)cc2)cc1C(=O)Cl	138
+Cc1cc(cc(C)c1F)C(Cl)=O	138
+c1c(F)c(c(cc1)F)N2C=C(C=CC2=O)C(Cl)=O	5460
+O(C)c1cc(cc(OC)c1OC)-c2ccccc2C(Cl)=O	138
+c1c(c(C(Cl)=O)cc(-c2nnn[nH]2)c1)OC	138
+c1c(cc(C)c(C(Cl)=O)c1)Br	138
+c1(C(Cl)=O)nc(Cc2cc(ccc2)C(=O)C)oc1	3322
+c1c(cccc1OCC(Cl)=O)OC	141
+c1cc2c(-c3c(cccc3)C2(C(=O)Cl)CCCCBr)cc1	141
+c1cc(Br)c(c(C(Cl)=O)c1OC)Cl	138
+c1cc(Br)c(C(Cl)=O)cc1I	138
+c1cc(C(Cl)=O)cc([N+]([O-])=O)c1OC	138
+c1cc(Cl)c(C(Cl)=O)cc1I	138
+c1cc(OC)cc(OC)c1C(CCCCC)CC(Cl)=O	141
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(Cl)=O)s3	1488
+c1cc(cc(OC(C)=O)c1OC)C(Cl)=O	138
+c1cc(cc(c1OC)OCC)C(Cl)=O	138
+c1cc(ccc1)-c2c(C)c(C(Cl)=O)c3ccccc3n2	138
+c1cc(ccc1)-c2c(cccc2)Cn3c4c(c(OCC(OC)=O)nc(SC)n4)c(C(=O)C(N)=O)c3CC	5461
+c1ccccc1-c2cccc(C(Cl)=O)c2F	138
+c1cc(ccc1)-c2c(CCCC(=O)Cl)c(Cl)ccc2	141
+c1cc(ccc1)-c2ccc(c(F)c2)C(=O)Cl	138
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCCC(=O)Cl	141
+c1ccccc1C=2S(=O)(=O)N(CCCC)C(C=2Cl)=O	3329
+c1cc(ccc1)C2=C(C(=O)N(c3c(cccc3)Cl)C2=O)Cl	5462
+CC(C)(S(=O)(=O)CC(Cc1ccccc1)C(OCc2ccccc2)=O)C(Cl)=O	141
+c1cc(ccc1)COC(=O)N2CC(CCC2)C(Cl)=O	141
+c1cc(ccc1)COC(=O)OC2Cc3c(CC2)ncc(c3Cl)C(OCC)=O	5463
+c1cc(ccc1)COC(CCC(C)(C)C(=O)Cl)=O	141
+c1cc(ccc1)COCC(Oc2ccc(F)c(c2F)C(=O)N)C(=O)Cl	141
+O=S(=O)(c1ccccc1)Nc2c(scc2)C(=O)Cl	1488
+c1cc(ccc1-c2c(C)c(nn2-c3c(Cl)cc(cc3)Cl)C(=O)Cl)OCCCF	954
+c1cc(ccc1C(=O)Cl)-c2c(C)ccc(-c3nnc(C)o3)c2	138
+c1cc(ccc1C(=O)CNC(OCc2ccccc2)=O)C(Cl)=O	138
+c1cc(ccc1C(=O)Cl)OCCCCCCCCCCCCCC	138
+c1cc(ccc1OCCCN(C)C)C(Cl)=O	138
+c1cc(ccc1C(CC=CC=CC(Cl)=O)OC)OC	3323
+c1cc(ccc1C(=O)Cl)-c2nc(-c3ccc4c(c3)OCO4)c(-c5ccccn5)[nH]2	138
+c1cc(ccc1C=2C(N(C3(CCCCC3)N=2)CC(=O)Cl)=O)C	141
+c1cc(ccc1C=CC(Cl)=O)OC	5464
+c1cc(ccc1C=CCCCCCCCC(=O)Cl)F	141
+c1cc(ccc1C(Cl)=O)C=O	138
+c1cc(ccc1OCCCCCCCCCCCCCC)CC(=O)Cl	141
+c1cc(ccc1COC(CC(=O)Cl)CCCCCCCCCCC)OC	141
+c1ccccc1COc2ccc(cc2)CS(=O)(=O)Cl	5465
+c1cc(ccc1Cl)Sc2ccc(cc2)CCC(=O)Cl	141
+c1cc(ccc1Cn2nc(-c3cccc(c3)C(Cl)=O)nn2)OC	138
+c1cc(ccc1F)-c2nn(c3ccc(cc23)C(Cl)=O)C(=O)C	138
+c1cc(ccc1C(c2ccc(cc2)F)=C(C#N)C(=O)Cl)F	5466
+c1cc(ccc1C2(CCCCC2)CCC(=O)Cl)F	141
+c1cc(ccc1F)C2CC(=O)NC=C2C(Cl)=O	5467
+c1cc(ccc1OC)Cn2ncc(C(Cl)=O)c2	5468
+c1cc(ccc1C#N)OCC(=O)Cl	141
+c1ccccc1COc2ccc(cc2)S(=O)(=O)Cl	1491
+c1cc(ccc1C(Cl)=O)OCc2ccccn2	138
+c1cc(ccc1OCc2nc3c(cccc3C)n2CCC(C)C(Cl)=O)Cl	141
+c1cc(ccc1C(Cl)=O)Oc2c([N+](=O)[O-])cc(cc2)Cl	138
+c1cc(ccc1C(Cl)=O)S(=O)(=O)Cl	138
+O=S(=O)(c1ccc(cc1)C)NC(C(Cl)=O)C	141
+c1cc(ccc1[N+]([O-])=O)C(C)C(Cl)=O	141
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(C)c(n(C)n3)C(Cl)=O)c1N4N=NN(C4=O)C	954
+c1ccc2C(=O)N(C(c2c1)=O)CCOCCOCCOCCC(=O)Cl	141
+c1cc(ccc1)-c2c(C(C(Cl)=O)=O)n3CCCCc3c2	5469
+c1cc(ccc1)-c2sc(CCCOC)c(n2)C(=O)Cl	5470
+c1ccccc1COc2cc(C(=O)Cl)c(cc2)C	138
+c1ccccc1Oc2nccc(n2)C(=O)Cl	954
+s1c(C2C(C(Cl)=O)C2)ccc1CCCC	141
+O=C(c1cc2CCCCc2s1)Cl	1488
+CN(C)C(=O)Cc1c(ccc(c1)OC)Br	58
+C(C)N(CC)C(Cc1c(cc(cc1)[N+](=O)[O-])Cl)=O	58
+C1CN(CCC1C)C(Cc2ccc(cc2Cl)[N+](=O)[O-])=O	58
+c1c(cc(c(C(O)=O)c1F)NC(=O)Cc2ccc3OCOc3c2)F	26
+C1COCCN1Cc2c(ncc(C=CC(N(Cc3c4ccccc4n(c3)C)C)=O)c2)N	2385
+c1c2COC(Nc2ncc1C=CC(N(Cc3n(c4c(cccc4)c3)C)C)=O)=O	2385
+C(=O)(C(N)C(C(OC)=O)C)O	4
+n1c(OC)ccc(C(CO)Nc2ncnc3CCN(Cc23)c4ccc(cn4)C)c1	40
+c1cc(ccc1C)-c2cc(C(NC(c3cnc(cc3)OC)CO)=O)cc(C(=O)N(CC(C)C)C)c2	14
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(cc4c(C(=O)C)c3)C(=O)N5CC6CCC5C6	30
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(C(=O)O)cc4c(C(=O)C)c3	1
+C(OC)CCC(N1CCCc2c(Br)cccc12)=O	21
+FC(F)(F)c1ccc2[nH]c(C(O)=O)cc2c1	5471
+c1(F)c(ccc(C=CC(C(O)=O)=O)c1)Br	3330
+c1cc(ccc1C=CC(=O)C(O)=O)-c2cc(OCC)ccc2	3330
+CC(C)(C)[Si](C)(C)OC(CCC1NC(CC1)=O)Cc2cc(F)ccc2	19
+CC(C)(C)OC(=O)NCCC(O)c1cccc(O)c1	37
+NC1=CC(=O)N(C(=O)N1C)CCCCC(OC(C)=O)C	5472
+c1ccccc1Cn2c(C)nc3N(C(N(C(c23)=O)CCCCC(C)OC(=O)C)=O)C	2386
+C1CN(CCN1C)c2ccc(c(c2)C3=C(c4c[nH]c5c4cccc5)C(NC3=O)=O)N	1492
+CN(C)Cc1ccc2c(c(C=3C(NC(=O)C=3c4c[nH]c5c4cccc5)=O)co2)c1	3331
+CN(C)Cc1cnc2c(c(C=3C(NC(C=3c4c[nH]c5ccccc45)=O)=O)c(Cl)cc2)c1	1492
+O=C(C(C(C)=O)CCCCC)O	4
+CC(C)(C)[Si](C)(C)OCCOc1ccc(cc1)C2(CC(O)=CC(=O)O2)CCc3ccccc3	5473
+Clc1cc(c(C2C(C(=O)OC)=C(NC(=O)C2)C)cc1)F	3332
+FC(F)(F)c1nc2c(cc1)cc(c(C)n2)C(=O)OC	5474
+c1cc(ccc1F)C2C(=C(C)NC(=O)C2)C(OC)=O	3332
+c1ccccc1COc2c(c(Cl)cc(c2)Cl)C=CC(CC(=O)CC(=O)OC)O	5475
+C=1(N=C2C=CC=C(C)N2C(C=1)=O)C(CC)Br	5476
+OC(CO)CC(=O)OC	95
+c1cc(Cl)c(c(Cl)c1OC(C)C(OCC)=O)C	289
+FC(F)(F)C1=CN=C(c2cc(c(cc2Cl)Cl)NC(C)C(OCC)=O)C(=O)N1C	3316
+FC(F)(F)c1ccc(Oc2ccc(cc2)OC(C(OCC)=O)C)nc1	289
+O(CC)C(C(N1c2cc([N+]([O-])=O)ccc2SCC1=O)C)=O	3333
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3c1ccc(c3)OC(C)C(=O)OCC)C	289
+O(CC)C(C(C)Oc1c(c(c(Cl)cc1C(=O)C)F)I)=O	289
+O(CC)C(C(C)Oc1cc2cccnc2cc1)=O	289
+O(CC)C(C(N1C(COc2cc(C)ccc12)=O)C)=O	3333
+O=C(OCC)C(Oc1cc(ccc1)Oc2ccccc2[N+]([O-])=O)C	289
+c1cc(ccc1CCOC(C)C(OCC)=O)-c2ccc(cc2)Cl	5477
+c1cc(ccc1OC(C(=O)OCC)C)N(c2nc(Cl)c3cc(ccc3c2)Cl)C	289
+c1(F)cc(cc(F)c1)Oc2ccc(cc2)OC(C(OCC)=O)C	289
+c1cc(ccc1OC(C(OCC)=O)C)Oc2ncc3c(ccc(c3)Cl)c2	289
+c1(c(CCC)c(O)nc(n1)C)C(=O)OCC	5478
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CON=C(c4cnccc4)C(OCC)=O	5479
+C(OC(CC1CCCC(C)C1)=O)C	774
+O(CCC1n2c(cc(I)c2)C(NC1)=O)CC	21
+C(OC(NCCS(=O)CC(=O)O)=O)C	3
+C12C(C1)C(c3n(nc(c23)C#N)CC(OCC)=O)=O	955
+C(C(OCC)=O)n1nc(C#N)c2c1C(C3C2C3)O	1262
+CN(C)C=C(n1nnc(C#N)c1)C(=O)OCC	5480
+c1cc(ccc1OC(C)C)-c2nc(c(o2)C)COc3cc(C)c(cc3)CC(C(OC)=O)OCC	547
+c1(c(cc(OC(C)c2sc(nn2)N)cc1)Cl)Cl	1087
+CC(C)(C)OC(n1ccc(n1)NC(=O)c2cc(cc(Oc3ccc4c(OCN(C)C4=O)c3)c2)OC(C)COC)=O	650
+[N+]([O-])(=O)c1ccccc1Oc2cc(OC(C(N)=O)C)ccc2	83
+c1cc(cc(CCCC(=O)O)c1OC)C	165
+C(C(c1c(ccc(C)c1)OC)=O)CC(=O)O	3
+CC(C)(C)NCC(O)COc1c(C(CCC(=O)OC)=O)cc(cc1)OC	122
+c1c(c(C(C(Cl)C(=O)OCC)=O)ccc1)F	3334
+c1cc(ccc1Nc2c3cc(-c4ccco4)ccc3nc(n2)-n5cc(c6c5ccc(Br)c6)C(=O)CCC(OC)=O)OC	5481
+C(C(c1cc(C)c(F)cc1)=O)CC(OC)=O	27
+c1(C)cc(C(CCC(OC)=O)O)ccc1F	74
+C(C(c1cc(C)c(cc1)OC)=O)CC(OCC)=O	456
+c1ccccc1Cc2sc(NC(=O)CCC(c3cc(c(OC)cc3)CC)=O)cc2-c4ccccc4	1477
+C1CC1(C(=O)NC(CO)c2cc(Cl)ccc2)Nc3nc(ncc3Cl)Cl	9
+c1(ccc(Cl)cc1-c2ccc(C)n2-c3cc(c(C)cc3)C(=O)O)OCc4cccc(F)c4F	2387
+CCOC(=O)C(C(=O)c1cc(F)c(cc1F)C=2CCN(C(C)=O)CC=2)=COCC	3335
+CC(C)(C)NCC(O)COc1c(cc(NC(C)=O)cc1)C(CCC(=O)OC)=O	122
+O=S(=O)(C)c1ccc(C(CCC(C)=O)=O)cc1F	593
+Oc1c(ccc(C(CCC(=O)O)=O)c1)O	5
+CC(C)(C)[Si](C)(C)OC(CC=C)CC(c1cc(Br)ccc1)=O	19
+c1cc2c(cc1CCCC(=O)O)CCO2	165
+C(C(c1ccc(C)cc1O)=O)CC(OC)=O	167
+C(C(c1ccc(C)cc1OCC2CO2)=O)CC(OC)=O	8
+CC(C)(C)NCC(COc1cc(C)ccc1C(=O)CCC(=O)OC)O	122
+C(C(c1ccc(c(c1)O)F)=O)CC(=O)O	956
+c1c(c(Cl)cc(C2=NNC(CC2)=O)c1)OC	2388
+C(C(c1ccc(c(Cl)c1)OC)=O)CC(=O)O	594
+C(C(c1ccc(F)c(N)c1)=O)CC(=O)O	0
+C(C(c1ccc(c(N)c1)OC)=O)CC(=O)O	0
+O(CC)C(C(C#N)C(C(c1cccnc1F)=O)C)=O	5482
+OC(CCCCl)c1cccs1	2389
+c1cc(ccc1S(=O)(=O)N)-n2cc(C)cc2-c3cc(C)cc(C)c3	5483
+c1(c(cc(C(C)=C)c(C)n1)CN=[N+]=[N-])C	3336
+[N-]=[N+]=NCC(O)C(CC(=O)C)OC(C)=O	152
+O=S(=O)(c1ccc(cc1)C)OCC(O)C(CC(C)=O)O	36
+c1cc(ccc1C)S(=O)(=O)n2ccc3c2ncc(n3)NNC(C4C(CC)CC(C4)NC(=O)C)=O	355
+Nc1ccc(N2CC(NC(C)=O)CC2)cc1-n3ccnc3	0
+O1C(N2C(Cc3cc(ccc23)Br)C1CNC(C)=O)=O	38
+C1COCCN1CCC(=O)c2c(cccc2)[N+]([O-])=O	1493
+O=S(=O)(Nc1cc(cnc1OC)-c2nn3c(ncc3C#CC(O)C)cc2)c4ccc(cc4)F	5484
+C(C(O)C)Cc1nc(c2c(n1)n(cn2)C)N	5485
+C(C)(Oc1c(Cl)cccc1)c2nnc(N=C=O)s2	775
+C(C)(N1C(NC(=O)c2[nH]cnc12)=S)c3[nH]c4ccccc4n3	3337
+c1cc(ccc1-c2ccc3c(c2)ccc(S(=O)(=O)c4c(cccc4C)C(O)C)c3)F	5486
+C(C)(c1cc2c(c(Cl)c(Cl)c(OCC(=O)O)c2)s1)=O	3
+C(C)(c1cc2cc(O)c(Cl)c(Cl)c2s1)=O	5
+c12nc(Cl)c(cc1cccc2F)C(=O)C	716
+C(C)(c1cc2c(c(Cl)c(Cl)c(OCC(=O)OCC)c2)s1)=O	52
+Cc1ccc(cc1F)C(=O)C	155
+CC(c1ccc2N(C(Sc2c1)=O)COC)c3nc(cs3)-c4nnccc4	3338
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1C)c(C(=O)N4CCN(CC4C)C(C)c5cc(C#N)ccc5)cn2	3339
+[N-]=[N+]=NC(C)c1cccc([N+]([O-])=O)c1	841
+CN(C)Cc1c[nH]c2cc(Br)ccc12	5487
+CCC(CC)(O)C#CCOS(=O)(=O)c1ccc(cc1)C	2390
+C(C)C(CC)(c1nnc(N)s1)C	1087
+FC1(F)CN(C1)c2c(nc(cc2)C(=O)NC(CC)(CC)C(=O)O)OCC3CC3	3
+C(C)C(CC)(C)C1=CC(C=C1)=C(C)C	5488
+C(C)C(CC)(C)c1ccc(cc1)O	957
+C1CC(CCC1O)C(CC)(CC)C	2391
+O=S(=O)(c1nc(ccc1C2CC2)C(NC(CC)(CC)C(NC)=O)=O)CC(C)C	712
+C(C)C(CC)(C(NC)=O)NC(=O)c1ccc(OC)c(-c2cc(ccc2)Cl)n1	712
+C(C)C(CC)(C(=O)OCC)NC(=O)c1nc(c(N2CC(F)(F)C2)cc1)OCC3CC3	244
+C(C)C(CC)(c1cc(c(C#CC2(CCCC2)O)cc1)C)c3ccc(C(NC(C)(C)C(O)=O)=O)c(c3)C	4
+CCC(CC)(c1cc(c(cc1)C(=O)O)C)c2ccc(c(c2)C)C#CC3(CCCC3)O	1
+CC(C)(C)C(=O)COc1c(C)cc(C(CC)(CC)c2cc3c(cc(C(=O)OCC)o3)cc2)cc1	717
+CCC(CC)(c1ccc(O)c(C)c1)c2cc3c(oc(C(=O)OCC)c3)c(c2)C	1848
+C(C)C(CC)(c1cc(c(cc1)C#CC2(CCCC2)O)C)c3ccc(C(OC)=O)c(C)c3	2340
+CCC(CC)(c1cc(C)c(O)cc1)c2nc3cc(C(=O)OC)ccc3o2	16
+c1cc(ccc1Br)C(CC)(CC)c2ccc(c(C)c2)OCc3ccccc3	22
+c1cc(ccc1C(CC)(CC)c2c[nH]c3c2cccc3N)F	1263
+c1cc(ccc1C=Cc2c(C#N)cc(F)cc2)F	5489
+CCC(CC)(c1cc(c(O)cc1)C)c2cc3sc(cc3cc2)C(OCC)=O	1848
+C(C)c1cccc(CC)c1C(=O)Nc2sc(nn2)C(CC)(CC)C	548
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2sc3ccc(OC)cc3c2)C)=O	717
+C(C)C(CC)Nc1c(nccc1)N2CCN(CC2)C(OCc3ccccc3)=O	2392
+C=1C=CC(C=1)=C(CC)CC	5490
+CCC(CC)Nc1c2n(nc1CC)c(-c3c(OC)cc(C)cc3C)ccc2OC	5491
+c1ccccc1COc2cc(ccc2[N+]([O-])=O)CC(C(=O)CC)C	5492
+c1cc(ccc1C(OC)=O)NC(c2c(c3c(s2)cccc3)C)C(CC)CC	5493
+CCC(CC)C(CO)NS(=O)(=O)c1sc(cc1)Cl	21
+CC(C)(C)OC(N1CCN(CC1)C(c2c(cccc2)F)CNCC(CC)CC)=O	132
+C(C)C(CC)CC(OC(c1ccc(cc1)OC(=O)C)=O)C	279
+c1cc(ccc1C(OC(C)CC(CC)CC)=O)O	173
+C(C)C(CC)CNC(c1ccc2cccc(c2c1)Cc3c(cc(C(=O)OC)cc3)OC)=O	14
+C(C)C(CC)CNC(=O)CN1C=CC=C(NC(=O)OCc2ccccc2)C1=O	9
+CCC(CC)CNC(CN1C=CC=C(N)C1=O)=O	1849
+C(C)C(CC)CNC(c1ccc2cccc(c2c1)Cc3ccc(C(O)=O)cc3OC)=O	1
+O=S(=O)(c1ccccc1C)NC(=O)c2cc(c(Cc3c4c(ccc3)ccc(C(NCC(CC)CC)=O)c4)cc2)OC	258
+C1CN(CCN1c2ccc(cc2)Nc3nc4c(NC(=O)N4C(CC)CC)cn3)C(C)=O	55
+c1cc(ccc1C2C(CC(CC3=NOC(=O)N3)(C(N2C(CC)CC)=O)C)c4cccc(c4)Cl)Cl	3340
+c1cc(ccc1C2N(C(CC)CC)C(=O)C(CC#N)(CC2c3cccc(Cl)c3)C)Cl	143
+CCC(CC)NC(c1ccc(cc1)-c2scc(-c3c(cccc3)Cl)c2CC(OC)=O)=O	1074
+C(C)C(CC)NC(n1c2c(cc1)cc(cc2)Oc3ccnc(NC(Oc4ccccc4)=O)c3)=O	278
+CCC(CC)Nc1ccc(cc1N)C(OC)=O	0
+C(C)C(CC)Nc1nc(c(-c2cc3c(cc2OC)CCC3)nc1CC)CC	356
+c1c(C)c(c(cc1C)C)Oc2c(c(cc(C)n2)NC(CC)CC)[N+](=O)[O-]	136
+C(C)C(CC)n1c2ccc(cc2nc1Cc3sc(cc3)Cl)C(=O)OC	1264
+C(C)C(CC)Nc1nc(ncc1N)Cl	193
+C(C)C(CC)N1C(=O)Nc2cnc(nc12)Cl	3341
+CCC(CC)Oc1cc(c(-c2c(cc(cc2)OC)Cl)nc1NC)Br	3342
+CCC(CC)Oc1ccc(nc1NC)I	70
+CCC(CC)c1cc(C(=O)OC)cc(n1)OC	5494
+C(C)C(CC)c1c2c(c(Cl)cc1)nc(Cl)n2CCCC(=O)OCC	1088
+CN(C)c1ncc(c(C)c1)Nc2nc3c(c(C(CC)CC)ccc3Cl)n2CCCC(=O)OCC	3343
+C(C)C(CC)c1ccc(Cl)c2nc(n(CCCC(=O)OCC)c12)Nc3c(Br)cc(C)cc3	1494
+C(C)C(CC)c1c2c(nc(Nc3c(cc(OC)nc3)C)n2CCCC(=O)OCC)c(Cl)cc1	3343
+C(C)C(CC)c1c2n3c(nc2c(Cl)cc1)N(c4ccc(cc4Br)C)CCCC3	2393
+C(C)C(CC)c1c2n(CCCCO)c(nc2c(Cl)cc1)Nc3c(cc(OC)nc3)C	44
+C(C)C(CC)c1c2c(nc3N(c4cnc(cc4C)O)CCCCn23)c(Cl)cc1	104
+C(C)C(CC)c1ccc(c2c1n(c(Oc3c(Cl)cc(cc3N(C)C)Cl)n2)C)Cl	79
+C(C)C(CC)c1c2c(nc3N(c4cnc(cc4C)OC)CCCCn23)c(Cl)cc1	2394
+CCC(CC)c1c2n(c(Nc3ccc(Cl)cc3Cl)nc2c(Cl)cc1)CC(=O)OCC	1494
+C(C)C(CC)c1cc(C)nn2c(-c3sc(cc3C)Br)c(nc12)C	407
+CN(C)c1[n+](cc(N2CCCCn3c4c(c(Cl)ccc4C(CC)CC)nc23)c(c1)C)[O-]	103
+c1cc(ccc1F)-c2sc(-c3n4c(nc3C)c(C(CC)CC)cc(C)n4)c(c2)C	5495
+C(C)C(CC)c1c2nc(C)c(-c3sc(cc3Cl)-c4nc(ccc4)C)n2nc(C)c1	5496
+C(C)C(CC)c1c2n(c(Cl)nc2c(Cl)cc1)CC(OCC)=O	5497
+C(C)C(CC)c1c2c(nc(Nc3c(Br)cc(C)cc3)n2CCCCO)c(Cl)cc1	44
+C(C)C(CC)c1ccc(c2nc(n(C)c12)Oc3c(cc(SC)cc3Cl)C)Cl	1850
+C(C)C(CC)c1ccc(c2nc(n(C)c12)Oc3c(cc(cc3Cl)C(O)=O)C)Cl	595
+C(C)C(CC)c1ccc(c2nc(Oc3c(cc(cc3C)S(=O)C)Cl)n(C)c12)Cl	357
+C(C)C(CC)c1ccc(c2nc(n(C)c12)Oc3c(cc(C(=O)N)cc3C)Cl)Cl	169
+CC(C)(C)OC(=O)N1C(Nc2c1cccc2C(CC)CC)=O	5498
+C(C)C(CC)n1c2c(nc1Cc3sc(cc3)Cl)cc(C(O)=O)cc2	1
+C(C)C(CC)n1c(C(=O)N(C)C)cc2cnc(Cl)nc12	147
+c1cc(ccc1C=Cc2c(cc([N+](=O)[O-])c(OCC(CC)CCCC)c2)OCC(CCCC)CC)C#N	1265
+O=S(=O)(c1c(N)cc(Cl)cc1Cl)NC(CNc2ccc(C)cc2C)CC	71
+CCC1(CC)c2cc(ccc2N(C(C)C)C1=O)[N+]([O-])=O	3344
+C(C)C1(CC)c2c(N(C)C1=O)cc([N+](=O)[O-])c(N)c2	106
+CCC1(CC)C(N(C)c2ccc(cc12)NC(C)=O)=O	1089
+C(C)C=CCC=CCC=CCC=CCC=CCCCCOC(CC)C(=O)NCCO	9
+CC(C)(C)OC(NCCNC(C(OCCCCC=CCC=CCC=CCC=CCC=CCC)CC)=O)=O	9
+C(C)C=CCC=CCC=CCC=CCC=CCCCCOC(C(=O)NCCOC(=O)Cl)CC	5499
+c1cc(ccc1C=C(C(CCC)=O)C(OCCC#N)=O)[N+]([O-])=O	2395
+c12cc(CCC)[nH]c1cc(cc2)C(=O)OC	3345
+c1c([N+]([O-])=O)cc(cc1C(=O)OCCC(C)(CCC)S)[N+]([O-])=O	279
+c1(c(C#N)c(O)nc(CCC)c1)C	3346
+C(CC)C(CCC)(C(=O)OCC)Oc1c(cc(cc1)Cl)C=C2c3ccc(cc3NC2=O)Cl	1495
+CCCC(CCC)(CO)COC	76
+c1cc(ccn1)-c2cc3c(C(NC(CCC)(CCC)N3)=O)s2	3347
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1NC(=O)CCC)[N+](=O)[O-]	166
+c1c(N)cc(cc1)NC(=O)CCC	0
+Cc1cc(c(c(C)c1)CCCC)O	165
+C1(CCC)CCC(CCC)N1	25
+c1(C(CCCC)N)cc(c(OC)cc1)OC	840
+C(CC)CCOCCCCCO	176
+c1n(CCCCC)c2ccccc2c1C(Cc3c(cccc3)OC)=O	339
+C(=O)(c1cccc2ccccc12)c3c4c(n(CCCCC)c3)ccc(OC)c4	339
+C(CCCC)Oc1cccc(O)c1	8
+c1cc(ccc1F)C(C#N)CCCCC	5500
+c1cc(ccc1S)N(c2ccc(cc2)[N+](=O)[O-])CCCCC	2396
+C(Cn1nc(c2c1cccc2)C(OC)=O)CCC	1090
+c1cc(ccc1CN(CCCCCC)c2cc3c(OC(C)(C)OC3=O)cc2)C#Cc4ccc(cc4)OC	713
+CCCCCCC1(CCCCCC)c2c(-c3c1cc4C(=O)C(Cc4c3)C)cccc2	3348
+C1CN(CCN1c2ccc([N+]([O-])=O)cc2C=C)C	5501
+C1CC(CCC1)C(NCCc2csc3ccc(cc23)C=C)=O	1496
+C1CN(CCC1Nc2c([N+](=O)[O-])ccc(C=C)c2)C3CCC(CC3)OCCC	651
+C1CC1N2c3c(F)c(F)c(c(C=C)c3C(C(C(OCC)=O)=C2)=O)F	651
+C1CC(CCO1)N2CCC(CC2)Nc3c([N+](=O)[O-])ccc(C=C)c3	651
+CC(C)(C)C(=O)Nc1ccc(C=C)cn1	1851
+CC(C)(C)OC(Nc1ccc(c(c1C(OCc2ccccc2)=O)C)C=C)=O	651
+CC(C)(C)OC(N1CCC1COc2cnc(Cl)c(c2)C=C)=O	1851
+CCCCC1(CCCC)c2ccc(cc2C(O)=C(C1=O)C=3NS(=O)(=O)c4cc(ccc4N=3)C=C)F	1496
+Clc1ccc(CC(OC)=O)c(C=C)c1	1496
+FC(F)(F)Oc1ccc(cc1)-n2ncc3c2ccc4cc(ccc34)C=C	651
+FC(F)(F)C(C)(C)c1c(cc(cc1F)C=C)F	3349
+c1cc(ccc1CC(OCC)C(OCC)=O)C=C	3349
+FC(F)(F)c1c(C#N)ccc(C=C)c1	651
+FC(F)(F)c1c(C)n2c(ccc(C=C)n2)n1	5502
+FC(F)(F)c1ccc(cn1)C=C	1851
+C1CCN(C1)c2nc(C=C)cc(c2)S(=O)(=O)c3ccc(cc3)N	5503
+O=S(=O)(c1ccccc1F)c2cnc(cc2)C=C	1852
+O=S(=O)(n1ccc2c(cccc12)C=C)c3sccc3	5504
+c1([N+]([O-])=O)ccc(C=C)c(C)c1	651
+c12-c3c(cccc3)C(c1cccc2)COC(=O)NC(c4cc5c(c(C=C)n4)c(Cl)ccc5)C	1852
+C(=C)c1c2c(ccc(O)c2)ccc1	1496
+C(C)OC(=O)c1cc(C=C)c(F)cc1	651
+CC(=O)NCCc1coc2c1cc(cc2)C=C	1496
+c12cc(ccc1nccc2Cl)C=C	651
+c1c(Br)ccc2ccc(C=C)cc12	651
+C(=C)c1cccc2cc[nH]c12	5505
+c1cc(ccc1)COc2nc(C=C)ccc2[N+]([O-])=O	1852
+c1cc(ccc1-c2nc3n(c2)cc(C=C)c(C)c3)N(C)C	1851
+c1cc(ccc1-c2noc3-c4ccc(cc4CCc23)C=C)CCC	651
+c1cc(ccc1OC)CN(c2nccs2)S(=O)(=O)c3ccc4c(c3)OCCN4c5ccccc5C=C	651
+c1cc(ccc1OC)Cn2c3c(c(ncn3)NC(c4cc5c(c(C=C)n4)c(Cl)ccc5)C)nc2	1852
+c1(SC)nc(C=C)cc(n1)-n2c(C)nc(n2)C	5506
+n1ccc(C=C)c2cc(C#N)ccc12	5507
+C1C(CC1)N2Cc3c(C2=O)c(c4cccc(c4n3)-c5c(cc(F)cc5)C#N)N	5508
+c1ccccc1C=2C(=O)N(Cc3ccccc3)c4c(c(c(C(OC)=O)nc4-c5cccnc5)O)C=2	1853
+c1cc(ccc1)C(N2c3c(C=C(C2=O)c4ccccc4)c(O)c(C(=O)OC)nc3-c5cnccc5)C	1853
+c1cc(ccc1)CN2C(C(=Cc3c(c(C(=O)OC)nc(c23)-c4cnccc4)O)Cc5ccccc5)=O	1853
+c1cc(ccc1)CCC=2C(=O)N(Cc3ccccc3)c4c(C=2)c(O)c(C(OC)=O)nc4-c5cnccc5	1853
+C(c1ccc(cc1OC)OC)N2c3c(cc(c(-c4occc4)n3)F)C(=O)C(C(=O)OCC)=C2	5509
+N#Cc1ccccc1Oc2c(O)cc(c(-c3ccco3)c2)C	5510
+c1cc(ccc1OC)Cn2cnc3c(nc(nc23)N)-c4occc4	5511
+C(OC(=O)C(C(=O)OCC)c1cnc(c(C)c1)-c2ccnc(C)c2)C	5512
+c1cnccc1-c2nc(C(OC)=O)c(O)c3C=C(C(N(CC4CCCCC4)c23)=O)c5ccccc5	5513
+CC(C)(C)OC(NC1CCCCC1Nc2c(F)c3CN(C(c3c(-c4sncc4)n2)=O)C(=O)OC(C)(C)C)=O	5514
+FC(F)(F)c1cc(Nc2nc(-c3scnc3)cc(N)c2)ncc1	5515
+c1cc(ccc1-c2nccn2C)Cc3c(nc4c(F)ccc(c4c3OC(F)F)OCC(=O)OC)CC	5516
+CC(C)(C)OC(=O)NC1CCCc2c1sc(-c3c(c4c(C(NC(=O)N4C5CC5)=O)cc3F)C)c2	5517
+CC(C)(C)OC(=O)NCCC(=O)OCC(N(CCC)CCC)=O	3350
+C(CC)N(CCC)c1ccc(Br)c2c1n(c(Nc3c(cc(cc3C)C)C)n2)C	1494
+C(CC)c1c(ccc2C(=O)CC(Oc12)C(=O)OCC)OCCCCCOc3ccc(c(c3CCC)O)C(C)=O	3351
+C(C)N(CC)C(=O)C1Sc2c(cccc2)-c3[nH]c4c(cc(cc4)OC)c13	5518
+C(C)N(CC)C(=O)C1Sc2ccccc2-c3n(c4c(cc(OC)cc4)c13)CCF	1854
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N2CCC(CC2)=NOCC(=O)N(CC)CC	5519
+FC(F)(F)c1cnc(Oc2cc(OCC(N(CC)CC)=O)ccc2CCC(=O)OCC)c(Cl)c1	648
+CCN(CC)C(Cc1cccc(Oc2c(F)cccc2)c1N)=O	0
+CCN(CC)C(Nc1c(nn(c1)C2OCCCC2)-c3nc4c(cc(c(c4)NCCN(C)C)F)[nH]3)=O	5520
+CCN(CC)C(=O)c1cc(Br)c2ccccc2c1OC	38
+C(C)N(CC)C(=O)c1ccc(cc1)C(c2c(cccc2)OC)OC(=O)C	152
+c1(c2c(cc(CCN3C(CO)CC(O)C3)n1)c(C)ccc2)O	5521
+C[Si](C)(c1ccc2c(cccc2)c1C(N(CC)CC)=O)CCl	1091
+CCN(CC)C(c1cnc(c(c1)NC(=O)Cc2ccc(cc2)OCC)NCC=C)=O	308
+C(C)N(CC)C(c1ccc(C(NN)=O)s1)=O	5522
+C1CN(CCN1c2ccc(CN3C(=O)c4ccccc4C3=O)cc2F)C(c5ccccc5)C(=O)N(CC)CC	2397
+C(C)N(CC)C(C(c1ccccc1)N2CCN(CC2)c3c(F)cc(cc3)CO)=O	41
+C(C)N(CC)CCc1c(cc(cc1)[N+](=O)[O-])Cl	15
+CCN(CC)C(N)=C(C(N)=S)C#N	5523
+C(C)N(CC)C(=O)c1cnc(c(N)c1)NCC=C	13
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(C)=NNC(c3ccc(s3)C(N(CC)CC)=O)=O)c2O	2398
+c1cc(ccc1Cc2c(cccc2)O)C(N(CC)CC)=O	5
+C(C)N(CC)C(c1cnc(nc1)C2(CCN(CC2)CC(CCC)C)c3cccc(N)c3)=O	1497
+C(C)N(CC)C(c1cnc(nc1)C2(CCN(CC2)CC(CCC)C)c3cccc(NS(=O)(=O)C)c3)=O	80
+CC(C)(C)OC(=O)N1CC(CCC1)C(N)=O	3352
+Cc1ccc(c(C(=O)N)c1)[N+]([O-])=O	5524
+O=S(=O)(C)N(S(=O)(=O)C)c1ccc(cc1I)[N+](=O)[O-]	5525
+c1cc(ccc1OC)Cn2ncc3c2cc(cc3)C(COS(=O)(=O)C)OS(=O)(=O)C	5526
+c1cc(ccc1Br)C(C)C(N)=O	3352
+C1SC(SCC1)CCC#CCN(CC)CC	5527
+C(C)N(CC)CC#CCCC=O	24
+C1CCCCC1C(C(OCC#CCN(CC)CC)=O)(c2ccccc2)O	5528
+C(C)N(CC)CC(N1c2cc(ccc2Sc3ccccc13)C(N)=S)C	1855
+CC(C)CNC(c1ccc2Sc3c(N(C(CN(CC)CC)C)c2c1)cccc3)=S	5529
+C(C)N(CC)CC=Cc1cc(ccc1S(=O)(=O)Nc2cc(c3c(OCC4CC34)c2C(O)=O)F)F	1
+CCN(CC)CCCc1cc(F)ccc1S(=O)(=O)Nc2ccc3c4ccoc4cnc3c2C(=O)OC	374
+c1cc(ccc1Cn2c3c(cc2)cc(cc3)OCCCCN(CC)CC)Br	190
+CCN(CC)CCCNc1cc(ccc1[N+](=O)[O-])OCCCN(CC)CC	60
+Fc1cccc(F)c1N2C(=O)C=Cc3c(nc(NCCCN(CC)CC)nc23)Cl	306
+Fc1cccc(F)c1N2C(=O)C=Cc3c(-c4cc(C(O)=O)ccc4C)nc(nc23)NCCCN(CC)CC	306
+c1cc(ccc1)-c2cnn(CC(NCCCN(CC)CC)=O)c2	271
+c1cc(ccc1N)OCCCN(CC)CC	0
+C(C)N(CC)CCCc1ccc2c(cc(CO)[nH]2)c1	194
+c1ccccc1-c2cc3c(cc2)C(=Cc4cc5c([nH]4)ccc(CCCN(CC)CC)c5)C(=O)N3	292
+C(C)N(CC)CCCc1ccc2[nH]c(cc2c1)C=O	178
+Ic1cc(cc(I)c1OCCN(CC)CC)C(=O)c2c(CCC(=O)OC(CC)C)oc3c2cccc3	72
+C(C)N(CC)CCOc1c(cc(cc1)Br)F	72
+C(C)N(CC)CCOc1c(CC(=O)OCc2ccccc2)cccc1	72
+c1cc(ccc1Br)OCCN(CC)CC	72
+CCN(CC)CCOc1ccc(cc1)C(CCC)=O	72
+C(C)N(CC)CCOc1c2c3c(c(ccc3)C)n(Cc4ccc(cc4)F)c2ccc1	72
+c1ccccc1Cn2c3cccc(OCCN(CC)CC)c3c4c2c(F)ccc4	72
+CCN(CC)CCNC(=O)c1cc(C)[nH]c1C=O	56
+CCN(CC)CCNC(Cc1c(c([nH]c1C)C=O)C)=O	9
+CCN(CC)CCNC(=O)c1cc(c([nH]1)C=O)C	81
+CCN(CC)CCNC(=O)c1cc(c(Nc2cncc(-c3ccc(cc3)O)n2)cc1OC)Cl	14
+CCN(CC)CCNC(c1cc(C=C2c3c(Cl)nc(nc3N(C2=O)Cc4ccncc4)N)[nH]c1)=O	56
+Clc1cc(cc(Cl)c1)OC2CCN(C(=O)N(CC)CCN(CC)CC)C2	776
+CC1(C)C(C)(C)OB(O1)c2cc(F)c(cc2)OCCN(CC)CC	17
+C(C)N(CC)CCc1c(Cl)cc(cc1)N	0
+C(C)N(CC)Cc1c(C(O)C)c(c2cc(OC)c(cc2n1)OC)-c3ccc(OC)c(OC)c3	652
+C(C)N(CC)Cc1sc(-c2onc(-c3cc(c(NC(COCc4ccccc4)=O)c(Cl)c3)C)n2)cc1C	26
+C(C)N(CC)N=Nc1c(c(C(O)C)cc(Cl)c1C#C)-c2cc(F)ccc2	74
+C(C)N(CC)N=Nc1c(-c2cccc(c2)F)c(C(=O)C)cc(Cl)c1C#C	5530
+C(C)N(CC)N=Nc1c(c(C(O)=O)cc(Cl)c1C#C)-c2cc(ccc2)F	1
+C(C)N(CC)N=Nc1c(C#C)c(Cl)cc(c1-c2cc(ccc2)F)C(N(OC)C)=O	280
+CC(C)(C)[Si](C)(C)OCCCOc1c(-c2ccc(c(C)c2)N(CC)CC)cc(cc1)-c3ccc(cc3)C(=O)OCC	11
+C(C)N(CC)c1c(C)cc(cc1)B(O)O	281
+CCN(CC)c1nc(cc(C)c1)C(NO)=N	958
+C(C)N(CC)c1cc(cc(C=O)n1)C	3353
+C(C)N(CC)c1cc(C)cc(C#N)n1	5531
+C(C)N(CC)c1ccc(C=Nc2sc(c(c2C(OCC)=O)C(OCC)=O)N)s1	5532
+C[Si](C)(C)C#Cc1ccc(cc1)N(CC)CC	311
+CCN(CC)c1nc(cc(c1)C)C=C	3354
+CCN(CC)c1nc(nc2c1cccc2)N3CCC(CC3)CN	549
+C(C)N(CC)c1nsc(NC(=O)NC)c1C(=O)N	1856
+O=S(=O)(OCCN(CC)c1ccc(c(c1)NC(=O)C)N=Nc2c(cc(cc2)[N+](=O)[O-])OC)c3ccccc3	1226
+c1cc(ccc1Cl)C2=NC=CN(CC)C2=O	5533
+n1cc(cnc1N2CCCN(CC2)CC)C(=O)OC	117
+c1cc(ccc1OCCCCN(CC)CC)C#N	5534
+CCN(CC)C(c1c2ccccc2[nH]c1C(OCC)=O)=O	211
+C(C)N(CC)CCC1(C=CCC=C1)c2ccccc2	123
+C1C2CC3CC(CC1C3)C2NC(=O)c4c(n(C)nc4)N(CC)CC	959
+C1CC(CCN1Cc2ccccc2)(c3cc(OC)ccc3)c4ccc(cc4)C(N(CC)CC)=O	3355
+C1CCCN1c2nc(N(CC)CC)nc(c2)Cl	117
+C1CN(CCC1c2c[nH]c3c(C(=O)N)cc(-c4ccc(cc4)CN(CC)CC)cc23)S(=O)(=O)CC	48
+CCN(CC)Cc1[nH]c(nc1)[N+](=O)[O-]	5535
+c1cccc2nn(nc12)-c3c(c(CN(CC)CC)cc(C)c3)O	1092
+n1c2ccccc2nn1-c3c(c(CN(CC)CC)cc(CCO)c3)O	1092
+CC(C)(Oc1ccc2c(c(C(=O)OCc3ccccc3)c(C)[nH]2)c1)C(N(CC)CC)=O	10
+CC(C)(C)CCN1C(=O)C(C=2NS(=O)(=O)c3cc(NS(=O)(=O)CCN(CC)CC)ccc3N=2)=C(C(=N1)c4cccs4)O	3356
+CC(C)(C)OC(=O)N1CCC(CC1)=C(Br)c2ccc(cc2)C(N(CC)CC)=O	30
+CC(C)(C)OC(=O)NCC(c1c([nH]c2c1cc(C(C)(C)C(N(CC)CC)=O)cc2)-c3cc(C)cc(C)c3)C	10
+CC(C)(C)OC(=O)Nc1c(cc(c(N(CC)CC)c1)C#N)[N+]([O-])=O	34
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)OCCCCN(CC)CC	28
+CC(C)(C)OC(=O)N1CCC(CC1)N(C(N(CC)CC)=O)C2CCCCC2	2399
+CCN(CC)CC=C(C=CCC(CCC=C(C)C)C)C	3283
+CC(C)Oc1ccccc1-c2c(OC)cccc2C(=O)N(CC)CC	30
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4cc([nH]n4)C)[nH]3)CCN(CC)CC	28
+CCN(CC)C(CC#N)=O	1857
+CCN(CC)C(c1c([nH]cc1)C)=O	1858
+C(C)N(CC)C(CCC#Cc1cn(c2c1c(nc(n2)N)Cl)Cc3c(c(c(C)cn3)OC)C)=O	10
+C(C)N(CC)Cc1nc2cc(c(cc2c(c1C(C)=O)-c3cc(c(cc3)OC)OC)OC)OC	596
+CCN(CC)C(=O)c1c(C)cc(OC)cc1	30
+C(C)N(CC)c1nc(cc(C)c1)Cl	43
+FC(F)(F)COc1cc(ccc1CC(OC)=O)OCC(O)CN(CC)CC	170
+FC(F)(F)c1cc(ccc1)N=C2c3ccccc3N(c4ccc(cc4)OCCCN(CC)CC)C2=O	28
+FC(F)(F)c1cccnc1N2CCN(CC2)c3nc(N(CC)CC)nc(-c4ccc(F)c(Cl)c4)c3	117
+CCN(CC)CC(O)COc1cc2nccc(c2cc1C#N)Oc3ccc(c(Cl)c3)N	170
+CCN(CC)C(COc1cccnc1Br)=O	10
+C(C)N(CC)CC(c1c([nH]c(C=O)c1C)C)=O	1498
+C(C)N(CC)CC1Oc2cc(S(=O)(=O)C)ccc2OC1	236
+C(C)N(CC)S(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2	92
+CCN(CC)Cc1sc(cc1C)C(O)=O	509
+c1(C)cccc(C)c1N(S(=O)(=O)C)CC(N(CC)CC)C	1499
+CCN(CC)C(=O)c1c(cccc1)Cl	115
+CCN(CC)C(c1ccoc1C)=O	1859
+CCN(CC)C(=O)CCCn1nnnc1C	10
+C(C)N(CC)CCCN1c2c(cccc2)Oc3ccccc13	53
+C(C)N(CC)C(=O)Cc1cccc(Oc2ccccc2F)c1[N+]([O-])=O	10
+CCN(CC)c1cccc(C(=O)Nc2cc(cc3n[nH]cc23)-c4cccc5c4cc[nH]5)n1	43
+C(C)N(CC)C(=O)C1CC(=O)c2c(cccc2)S1	10
+C(C)N(CC)CCCOc1ccccc1-c2c3c(N=C(SCC(=O)OCC)N(C3=O)c4cc(F)ccc4)sc2	53
+C(C)N(CC)CCCCOc1ccc(cc1)C(=O)c2c3ccccc3oc2-c4ccccc4	28
+c1(C)cccc(C)c1N(C(c2ccccc2)=O)CC(C)N(CC)CC	3357
+CCN(CC)CCOc1cc2c(c(C)n(C)c2cc1)C(=O)OCc3ccccc3	53
+c1cc(ccc1-c2c(cnn2C)C=CC(Nc3ccc(cc3)CC(N(CC)CC)=O)=O)F	10
+c1cc(ccc1F)-c2nc(CCCC)n(Cc3ccc(cc3)-c4c(C#N)cccc4)c2C(=O)N(CC)CC	777
+CCN(CC)Cc1cccc(C(=O)Nc2cc(ccc2C)NC(c3ccc(cc3)C#N)=O)c1	171
+c1cc(ccc1C(N(CC)CC)=O)CO	30
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C	28
+c1cc(ccc1SC)C(=O)C2(CCCCC2)N(CC)CC	1860
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCN(CC)CC	123
+c1cc(ccc1NC=C2c3ccccc3NC2=O)OCCCN(CC)CC	183
+O=S(=O)(N(CC)CC)c1ccc(cc1)[N+]([O-])=O	92
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4ccc(cc34)-c5c(CN(CC)CC)ccc(F)c5)N	171
+CCN(CC)Cc1onc(-c2c3C4CCCN4C(=O)c5c(cccc5Cl)-n3cn2)n1	960
+C(C)N(CC)c1nc(nc2ccccc12)Cl	54
+c1cc(ccc1-c2cc3c(cc2)oc(CCN(CC)CCC)c3)C#N	123
+Cc1cc(cc(C)c1-n2c3c(c(C)c2)c(N(CCCC)CC)nc(C)n3)C	778
+CCOB(O)c1cc2c(cc1OC)CCC2	3358
+CCOC(C1=CN=C2N(C1=O)C=Nc3c2cccc3)=O	5536
+c1ccccc1COC(n2ccc3c(OC(C(=O)OCC)C(=O)OCC)cccc23)=O	5537
+c1cc(ccc1)Cc2ccc3oc(C(OCC)=O)cc3c2	5538
+CC1(C)c2c(C(=C(C(=O)OCC)C1=O)O)ccc(O)c2F	3359
+C(Cc1ccc([N+]([O-])=O)cn1)(OCC)=O	2367
+C(C)OC(c1c(O)c2c(c(C)cc(OC)c2)nc1)=O	1861
+CCOC(c1c(O)c2c(c(Cl)nc(C)c2)nc1)=O	5539
+c1(cnc2ccc(OC)cc2c1Cl)C(=O)OCC	5540
+c1c(cc2ncc(c(O)c2c1)C(=O)OCC)Br	1861
+c1ncc(nc1C)C(NC23CC(CCC2)(CC3)C(=O)OCC)=O	312
+FC(F)(F)S(=O)(=O)Oc1n(-c2c(ccc(c2)F)F)nc(c1)C(=O)OCC	5541
+C(C)OC(=O)C=1C(=C(C(=O)N(C=1C)C)C)Nc2c(F)cc(C)cc2	5542
+C(C)OC(C=1C(=C(C(N(C=1CBr)C)=O)C)Nc2c(F)cc(C)cc2)=O	1093
+C1CC1CONC(C=2C(=C(C(=O)N(C)C=2C)C)Nc3c(F)cc(cc3)C)=O	5543
+O(C(=O)C(C(OCC)=O)CCCCCCC=C)CC	1862
+C(OCC)(=O)C(C(OCC)=O)CCCCCCCCCC	1862
+O=C(OCC)C(C(=O)OCC)C(=O)c1c(C)c([N+](=O)[O-])ccc1	2400
+C(c1c2c(ccc1OC)C=C(C(=O)OCC)C(=O)O2)CC	3360
+C(c1c2c(ccc1OCCF)C=C(C(=O)OCC)C(=O)O2)CC	3360
+O(CC)C(=O)C(C(OCC)=O)CC1CCCCC1	1862
+C1CC(CCC1C(=O)C(C(=O)OCC)C(=O)OCC)CCC	3259
+C1CC1COc2c([N+]([O-])=O)ccc(C(C(OCC)=O)C(OCC)=O)c2	1266
+CC(C)CN1c2ccccc2C(O)=C(C1=O)C(OCC)=O	3361
+CC1(C)Cc2c(c(c(C3CC(=O)C=C(O)C3)c(c2O1)Cl)C)C	5544
+C1(CC(CC(=O)C1)c2c(F)ccc(C)c2)=O	5545
+Cc1c2cc(C(=O)OCC)c(O)nc2nc(OC)n1	5546
+O=C(OCC)C(C(=O)OCC)c1c(cccn1)Cl	3362
+O(CC)C(=O)C(C(OCC)=O)Cc1c(cccc1Br)Cl	2401
+Clc1ccc(c(-c2oncc2CCC(OCC)=O)c1)Cl	2402
+CCOC(=O)C(C(=O)OCC)C(=O)c1c(F)c(OC(F)F)c(c(F)c1)F	2400
+O=C(OCC)C(C(=O)OCC)C(=O)c1cc(F)c(cc1Br)F	2400
+CCOC(C=1C(N(C)C(C)=CC=1O)=O)=O	5547
+O(C(=O)C(C(OCC)=O)CC(CCCCC)c1c2OCOc2ccc1)CC	5548
+O=C(OCC)C(C(=O)OCC)c1ncc(cc1Cl)Br	3362
+O(CC)C(=O)C(C(OCC)=O)c1cc(c(nc1)Cl)C	5549
+c1c(cc(C)c(NC(CC(OCC)=O)=O)c1)Br	5550
+O(CC)C(=O)C(C(OCC)=O)c1cc(c([N+]([O-])=O)cc1)OC	1266
+c1c(ccc(-c2oncc2CCC(OCC)=O)c1F)F	2402
+O(C(=O)C(C(OCC)=O)c1c(ccc(F)c1)[N+](=O)[O-])CC	1266
+C1CC(CCO1)(C(=O)C(C(=O)OCC)C(=O)OCC)c2ccccc2	3363
+CCOC(=O)C(C(=O)OCC)Cc1ccc(cc1)Br	2401
+c1cc(ccc1OCCC(C(OCC)=O)C(OCC)=O)Br	1862
+O(C(=O)C(C(OCC)=O)Cc1cccc(Cc2nc(oc2C)-c3ccc(cc3)C)c1)CC	2401
+c1cc(ccc1CN2C(C3=C(C=N2)C=C(C(=O)N3C)C(OCC)=O)=O)OC	5551
+c1cc(ccc1F)CN2C(=O)C(=C(c3ccccc23)O)C(OCC)=O	3361
+c1cc(ccc1SC)C2CC(C=C(O)C2)=O	5552
+c1ccccc1-c2ccc(cc2)-c3c(CCC(OCC)=O)con3	2402
+c1nc(ncc1Br)NC2CC(CC)N(C(=O)OCC)c3ccc(OC)nc23	96
+O(CC)C(=O)N1CC(N(CC1C)CC=C)C	1863
+C1CCC(C1)Oc2c(OC)cc3c(C=CN(C(=O)OCC)C3Cc4cccc(OC)c4)c2	313
+C1CN(CCC1(C(OCC)=O)F)C2CCN(CCC2)C(OCC)=O	85
+O1CCOC12CCN(C(OCC)=O)CCC2	381
+c1cc(ccc1)CNC2CCN(C(OCC)=O)CCC2	87
+c1cc(ccc1)CN2CCN(CCC2)C(=O)OCC	131
+N1(Cc2sc3c(c2C1)c(ncn3)Nc4cc(c(cc4)Cl)Cl)C(OCC)=O	1500
+C(C)OC(=O)N1Cc2c(C1)sc3c2c(ncn3)Cl	779
+C(C)OC(n1c2c(cc([N+]([O-])=O)cc2)c(n1)OC)=O	5553
+C(c1c(C(=O)OCC)cc(OC)cc1)Br	29
+O=S(=O)(CCC)Nc1ccc(Cl)c(C(OCC)=O)c1F	80
+C1COCCN1c2nc(N(CC)C)c(C(OCC)=O)c(c2)C	43
+COc1cc2c(N)c(cnc2cc1)C(=O)O	6
+C(C)OC(=O)c1c(N)ccc(-c2cnn(CCCCO)c2)n1	1864
+Nc1c(C(NC)=O)nc(cc1)Br	780
+FC(F)(F)c1ccccc1-c2c([nH]c(C(=O)OCC)c2C)C	550
+CC(C)(C)C(NCc1ccc(c(C(OCC)=O)c1F)Cl)=O	68
+c1(csc(c1C)C)C(=O)OCC	5554
+c12CCCC(c1scc2C(=O)O)=O	6
+c12ccc(C#N)cc1[nH]c3c2c(ncn3)O	3364
+c1c(C)c(ccc1CO)Br	217
+C1CC1c2c(ccc(C(OCC)=O)c2)F	3365
+CCCCc1n[nH]c(C(=O)O)c1	6
+c1c(C(=O)O)ccc(C)c1OCOC	6
+c1c(c(F)ccc1CO)Oc2cnccn2	217
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(Nc4c(cc(cc4)C(OCC)=O)F)=O)C5CCCCC5	33
+CC(C)(C)OC(=O)N1CCC(CC1)COc2ccc(cc2OC)C(=O)OCC	267
+O=C(N1C(C)CCC1)c2n3CCOCc3c(c2)C(=O)O	6
+C(C)OC(=O)c1cc(n2CCOCc12)C(=O)N3C(C)CCC3	147
+FC(F)(F)c1c(n2c(cc(C(OCC)=O)cc2Cl)n1)CC3CCC(CC3)(F)F	5555
+CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c2c(n[nH]c2C)-c3[nH]c4cc(C(OCC)=O)ccc4n3	597
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(c(C)c4c3ccc(C(=O)OCC)c4)C)=O	190
+C(c1cc2c(cc1)cccc2[N+]([O-])=O)(=O)O	6
+c1c2cc(n3c2c(CC3)cc1)C(=O)O	6
+c1cc2n3c(nc2cc1CO)CN(C)CC3	217
+c1cc2nc(SC)sc2cc1CO	217
+Fc1cccc(F)c1S(=O)(=O)Nc2c(F)ccc(c2)C(OCC)=O	69
+CC(C)(C)OC(Nc1ccc(C(=O)OCC)cc1[N+](=O)[O-])=O	150
+C(C)OC(=O)c1ccc(N)cc1F	0
+c1([N+]([O-])=O)cc(C(=O)O)ccc1NCCOC	6
+NNC(c1ccc(c(c1)O)C)=O	1094
+c1c(C)c(c(cc1)C)COc2cc(ccc2F)C(=O)OCC	139
+C(C)OC(=O)c1cc(c(F)cc1)Oc2cnccn2	842
+c1(-c2csc(n2)-c3cnccc3C)cc(C(=O)O)ccc1	6
+CC(C)(C)OC(CC(c1cccc(-n2ccnc2SCOC)c1)=O)=O	2403
+C1CN(CCN1)c2cc(ccc2)C(=O)OCC	386
+CC(C)(C)C(CN1C(C(CN(C2CCCCC2)c3ccc(C)cc13)NC(Nc4cc(ccc4)C(=O)OCC)=O)=O)=O	5556
+Clc1ccc2c(Nc3cccc(C(=O)OCC)c3)c(cnc2c1)C(=O)N	179
+c1c(F)c(c(cc1)F)C(=O)Nc2cccc(c2)C(OCC)=O	50
+COc1cccc(c1)C(CC#N)=O	5557
+Clc1ccc2c(n(cc2Sc3cc(ccc3)C(=O)OCC)-c4cn(CCC)nc4)c1	5558
+C(C)OC(=O)c1cccc(-c2ccc(N)c(Br)n2)c1	408
+C(C)OC(=O)c1cccc(c1)-c2ccc(N)cn2	13
+C[Si](C)(C)C#Cc1cccc(C(OCC)=O)c1	311
+FC(F)(F)c1c2c(c(n(Cc3c(cc(cc3F)F)F)n2)-c4cc(ccc4)C#Cc5cccc(C(=O)OCC)c5)ccc1	129
+O(C(=O)Nc1cccc(C(Cc2ccnc(Cl)n2)=O)c1)CC=C	1501
+C(c1cccc(c1)Nc2ncnc3c2[nH]cc3)(=O)O	6
+c1cc(ccc1Oc2cc(C(OCC)=O)ccc2)OCC	304
+c1cc(ccc1[N+]([O-])=O)Oc2cc(C(OCC)=O)ccc2	46
+C(C)OC(=O)c1cccc(c1)Sc2c3c([nH]c2C)c(F)c(Cl)cc3	1502
+Clc1ccc2c(Sc3cc(ccc3)C(=O)OCC)c([nH]c2c1)C	1502
+CC(C)(C)[Si](C)(C)OCCn1ncc(c1)-n2c3c(c(Sc4cccc(c4)C(OCC)=O)c2C)ccc(c3F)Cl	1865
+O=C(N)c1nccc(CO)c1	217
+C(O)c1ccnc2ccc(OC)cc12	217
+C(OCc1ncccc1)c2cc(ccc2)-n3cnc(C(=O)OCC)c3	2404
+C1CC1Nc2ccc(C(=O)OCC)cn2	70
+O=C(c1cnc(cc1)Cl)N2CCNCCC2	1858
+CC(C)(C)OC(=O)Nc1ncc(C(=O)OCC)cc1	718
+c1(CO)sc(NC(=O)C)nc1	1503
+c1(n(C)nc(CC)c1Cl)C(=O)OCC	5559
+CCc1c(Cl)nc(C(=O)O)[nH]1	6
+C1CN(CCC1(F)F)C(c2csc(C(OCC)=O)n2)=O	837
+n1cc(Br)n2c1cnc(C(=O)O)c2	6
+C1(N(CCC1(O)C#Cc2cccc(-n3c4CCN(Cc4c(n3)C(=O)N)c5ccncn5)c2)C)=O	314
+s1c(c(c(Br)c1C(=O)O)C#N)Br	6
+CC(C)NC(=O)c1nc(Cl)sc1C(=O)OCC	2405
+c12c(c(C(=O)O)sc1ncnc2O)C	6
+c1cc(ccc1)C(C)(C)NC(=O)c2cc3c(n(C(=O)OCC)nc3NC(=O)c4c([N+]([O-])=O)cccc4)s2	227
+C(CCCCCCCCC)CCC(C(=O)OCC)Oc1cc(ccc1)[N+]([O-])=O	289
+FC(F)(F)c1c2c(on1)c(CCC)c(cc2)OCCCOc3ccc4c(OC(CC)(C(OCC)=O)CC4)c3	8
+C(C)OC(C1=C(N=C(NC1c2ccc(cc2Cl)F)c3nccnc3)CBr)=O	1093
+C(C)OC(C=1C(NC(=NC=1CN2C(COCC2)C(=O)O)c3nccnc3)c4ccc(cc4Cl)F)=O	3366
+C(C)OC(C=1C(NC(c2sccn2)=NC=1CN3CCOC(C)C3C(=O)O)c4ccc(cc4Cl)F)=O	3366
+CN1c2nc3c(cc2C(C(C(=O)O)=C1)=O)cc(F)c(Cl)c3	108
+c1cc(ccc1Cl)CNC(C2=CN3c4c(cc(I)cc4C2=O)OCC3)=O	1267
+C1(=O)C(C(=O)OCC)=CN(c2cc3c(N(C(S3)=O)C)cc2)C(=O)N1C4c5cccc(c5CC4)OC	3367
+C(C)OC(=O)C=1C(=C(C(=O)N(C=1C)C)C)Cl	5560
+C1CN(CCN1c2c3OC(C(=O)OCC)=CC(=O)c3cc(OC)c2)CCOC	79
+O1c2c(C(=O)CC1C(OCC)=O)ccc(c2)O	3351
+C(C)OC(C=1Sc2ccc(cc2C(=O)C=1)OCC=C)=O	220
+C=CCOc1cc2c(SC(C(=O)O)=CC2=O)cc1	108
+O=C1N2C(C(CNCC2)NC(=O)c3ccccn3)=NC(=C1)c4ccncn4	215
+C(C)OC(N1CC(C=2N(C(=O)C=C(N=2)c3ccncn3)CC1)NC(=O)c4ccccn4)=O	2406
+C1N(C)c2c3N(C1)C4C(CN(C(=O)OCC)CC4)c3ccc2	15
+Clc1c2CCN(CCc2ccc1N)C(OCC)=O	0
+C1(CCc2ccc3c(c12)CCN(CC3)C(OCC)=O)O	74
+c12CCNCCc1ccc3CCC(OC)c23	215
+C1NCCc2ccsc2C1	215
+C(C)OC(N1Cc2c3cccc([N+]([O-])=O)c3n(C)c2CC1)=O	144
+C(C)OC(N1Cc2c3cc(C)ccc3n(CC4CO4)c2CC1)=O	339
+c1(cccc(OC)c1)NCC(Cn2c3CCN(Cc3c4cc(C)ccc24)C(=O)OCC)O	843
+C(C)OC(N1Cc2c3c(c(N)ccc3)n(C)c2CC1)=O	13
+C(C)OC(OCC)c1ncc(C(OCC)=O)c(n1)C	5561
+CCOC(OCC)C(NCc1cccc2cccnc12)C	249
+c12c3c(cccc3)ncc1nc(CCC)n2CCCC=O	598
+c1cc(ccc1C)NC(CC2(NC(Nc3cccc(c3)OC)=O)C(N(c4ccccc24)CC=O)=O)=O	598
+C(C)OC(OCC)CN1c2c(cccc2)C(CC(Nc3ccc(cc3)C)=O)(NC(Nc4cccc(c4)OC)=O)C1=O	33
+O(CC)C(OCC)CNCCCCCCNCc1ccc(cc1)C=C	42
+c1ccccc1COCC(CC=C)OCC=O	598
+ClC(Cl)=CCOc1cc(CC)c(c(c1)CC)OCCCCOCC=O	598
+Clc1cc(cc(Cl)c1OCc2ccccc2Cl)OCC=O	598
+CCOC(OCC)Cn1c(Nc2c(C)c(cc([N+](=O)[O-])c2)C)cc(-c3cnccc3)n1	781
+C[Si](C)(C)C#Cc1ncc(C(OCC)OCC)cc1	961
+O(CC)C(OCC)c1ncc(c(C)n1)C(O)=O	6
+CN(C)CCNC(=O)Cc1[nH]cc(C)c1C(=O)OCC	9
+c1(-c2ncccc2)cc(c[nH]1)C(=O)OCC	1866
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2nc(ncc2C(OCC)=O)Cl	40
+C(C)OC(c1c(nc(Cl)nc1)Nc2cccc3n(ccc23)C)=O	73
+C(Nc1nc(Cl)ncc1C(=O)OCC)c2cnn(C)c2	40
+C(C)OC(c1c(nc(Cl)nc1)NC(C)c2ncc(cc2)F)=O	40
+CC(C)(C)CCN1N=C(C(=C(C(=O)OCC)C1=O)O)c2sccc2	3368
+CC(C)(CCN1N=C(c2sccc2)C(=C(C(=O)OCC)C1=O)O)CC	3368
+c1(N)c(cc(c(O)c1C)C(=O)O)C#N	6
+c1(cnc2cc(ccc2c1Cl)F)C(=O)OCC	120
+Oc1c(cnc2ccc(C)nc12)C(=O)O	6
+C(C)OC(c1c([nH]c(-c2cc(ncc2)C=Cc3cccnc3)c1)N)=O	2407
+n1c(C=Cc2cccnc2)cc(-c3cc4c(ncnc4[nH]3)O)cc1	5562
+c12c(c(I)ccc1)ncc(c2O)C(=O)O	6
+Cc1cc(cc(C)c1Cl)OCCCc2c(C(=O)OCC)[nH]c3c(Br)cccc23	20
+C(C)OC(=O)c1c(N(C)CC)nc(cc1C)Cl	43
+c1ccccc1C=Nc2cc(c(cc2)O)C(=O)OCC	457
+C(C)OC(c1cc(ccc1Br)O)=O	5
+c1c(-c2ccc(cc2C(OCC)=O)NC(C)=O)c(ccc1)Br	11
+C(c1c(cccc1C)O)(=O)O	6
+n1c(NC(C)c2ncc(cc2)F)c(cnc1Cl)C(=O)O	6
+n1c(Nc2cccc3n(ccc23)C)c(cnc1Cl)C(=O)O	6
+CCc1c(C(=O)O)con1	6
+C1CC1COc2c(ccc(F)c2)-c3ncnc4c(C(=O)OCC)c([nH]c34)C	3369
+C(C)OC(c1c2c(c(ncn2)Cl)[nH]c1C)=O	1268
+Clc1cc(ccc1)Nc2ncc(c3c2ccn3CC)C(=O)OCC	1504
+CC(C)(C)OC(=O)Nc1sc2ccc(nc2c1C(OCC)=O)Cl	2408
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3cc4c(c(n[nH]4)C(=O)OCC)cc3	1505
+C(O)c1c2ccc(cc2oc1)F	5563
+C1COCCN1C(=O)c2n3c(c(C(=O)OCC)c2C)cccn3	147
+CN(C)C=CC(=O)c1cc(c[nH]1)C(=O)OCC	2409
+CCOC(c1cc([nH]c1)-c2n[nH]c3c2cccn3)=O	2410
+C1CC1COc2c(cc(C(=O)C)cc2)-c3c4[nH]cc(C(OCC)=O)c4ncn3	3369
+CCOC(c1c(c(Br)[nH]c1)C)=O	653
+c1c(C)ccc(-c2cc(nn2-c3cccnc3)C(=O)O)n1	6
+c1c(C)ccc(-c2cc(nn2-c3ncccc3)C(=O)O)n1	6
+n1c(cc(C)n1CCCC)C(=O)N	314
+c1c(C(=O)C)ncnc1Cl	1867
+c1c(c(N)c(C)c(F)c1C(=O)O)F	6
+c1ccccc1C(Nc2c(O)cc(c([N+](=O)[O-])c2)C(=O)OCC)=O	50
+O=S1(=O)CCCC(C1)c2c3cc(cc(c3[nH]c2)C(OCC)=O)Br	5564
+CC(C)C1CC(CCS1)c2c3cc(cc(c3[nH]c2)C(OCC)=O)Br	5565
+c1cc(ccc1COc2cc(C(OCC)=O)c(-c3cc(OC)ccc3F)cc2)OC	139
+C(C)OC(c1cc(ccc1-c2cc(OC)ccc2F)O)=O	11
+c1ccccc1COc2ccc(O)c(c2)C(=O)OCC	139
+CC(C)(C)OC(=O)N1CC2CN(CC2C1)c3cc(C(OCC)=O)cnc3	244
+[N+]([O-])(=O)c1cc(c(-n2c(C)cc(n2)C(=O)OCC)cc1)C(=O)N3Cc4ccccc4CC3CO	30
+c12c(c(ncn1)O)cc(CC)s2	1868
+c1cc(cn2C(c3c(N=c12)sc(CC)c3)=O)C(=O)N	3370
+Cc1c(cc2CCCCC(c2n1)OC(C)=O)C(=O)OCC	174
+C(C)OC(c1cc2n(c1)ncc(C#N)c2Cl)=O	2411
+c1c2c(cccc2n(c1C(=O)OCC)Cc3ccc(c(c3)Cl)Cl)[N+]([O-])=O	962
+C(C)OC(c1cc2c(cc(C)cc2OCC3CO3)[nH]1)=O	72
+CC(C)(C)NCC(O)COc1cc(cc2c1cc(C(OCC)=O)[nH]2)C	122
+C(C)OC(c1cc2c(ccc(c2)C(=O)N)[nH]1)=O	216
+C1CC1(C(=O)Nc2cc3cc(C(=O)OCC)[nH]c3cc2)c4cc5OCOc5cc4	33
+c1cc(ccc1)-n2c3ccc(cc3cc2C(=O)OCC)[N+]([O-])=O	3371
+c1(cc2c(ccc([N+]([O-])=O)c2)nc1O)C(=O)O	6
+c1c2c(ccc(c2)C(=O)N)[nH]c1C(=O)O	6
+C1CCC1COc2cccc3[nH]c(C(OCC)=O)cc23	126
+c1(c2cc(C(=O)O)[nH]c2ccc1)OCc3c4ccc(cc4oc3)F	6
+c1(c2cc(C(=O)O)[nH]c2ccc1)OCc3cocc3	6
+c1(C(=O)O)cc2c(cncc2Br)nc1	6
+FC1(F)CCN(CC1)c2cncc3ncc(cc23)C(=O)OCC	3372
+C(C)OC(c1n(c2c(c(Cl)ccc2N)c1)COC)=O	3373
+O=S(=O)(c1cccs1)Nc2c3n(COC)c(cc3ccc2)C(=O)OCC	2412
+CC(C)(C)c1ccc(cc1)Cn2c3c(cc2C(OCC)=O)cc(cc3)OC	190
+c12[nH]c(cc1cc(cc2N)OCCOC)C(=O)OCC	13
+c12cc(n(c1c(cc(c2)F)Br)C)C(=O)OCC	144
+c1c2cc(ccc2[nH]c1C(=O)O)OCCSC	6
+C(C)OC(c1cc2cccc([N+]([O-])=O)c2n1COC)=O	3374
+C(C)OC(c1cc2c(n1COC)c(N)ccc2)=O	13
+C(C)OC(c1cc2n(c1)ncc(C(=O)N)c2Cl)=O	1869
+CC1(C)C(C)(CCC1Nc2c3n(ncc2C(=O)N)cc(c3)C(OCC)=O)N	719
+Nc1c(C)c(c(cc1)C(=O)O)F	6
+c1([N+]([O-])=O)ccc(CO)nc1	194
+[N-]=[N+]=Nc1c(C)c(c(cc1)C(=O)OCC)F	1870
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(-c4ccccc4)n5nc(ccc5n3)C(=O)OCC	2413
+C(C)OC(c1cccc(F)c1CBr)=O	29
+CCOC(=O)c1cccc(F)c1COc2cccc(F)c2	22
+Cc1cccc(C)c1COc2c(C)c(ccc2)C(=O)OCC	139
+n1cccc(-n2cc(c(Cl)n2)C(=O)O)c1	6
+n1n2c(sc1CC)nc(C(=O)O)c2	6
+C(C)OC(c1c(COC)c2n(c1)ncc(C#N)c2Cl)=O	5566
+C(C)OC(c1cnc(c2c(COc3cc(ccc3C)NC(c4ccc(NCCO)c(Cl)c4)=O)csc12)N)=O	1871
+c1n(C)c2c(cnc(Cl)c2n1)C(=O)O	6
+Clc1cc(ccc1)Nc2ncc(c3c2ncn3C)C(=O)OCC	3375
+c1(cc(ccc1)Nc2ncc(c3c2ncn3C)C(=O)OCC)Br	3375
+c1(C(=O)O)cnc(c(C)c1)Nc2ccc(C)nc2	6
+c1(NCCO)c(Cl)cc(C(Nc2cc(c(C)cc2)OCc3c4c(sc3)c(cnc4N)C(=O)O)=O)cc1	6
+CCOC(c1c(c2CC(CCc2nc1)O)O)=O	100
+C(C)OC(c1cc2c(cncc2Br)nc1)=O	3376
+c1cc(cc2ncc(cc12)C(=O)OCC)NC(c3c(cccc3)Br)=O	50
+c1cc2c(cc1I)ncc(C(=O)OCC)n2	3377
+C(C)OC(c1cnc2c(ccc(N)c2)n1)=O	0
+NNC(=O)c1cncc(-c2cnc(NC(NCC)=O)cc2Br)c1	1872
+C(=O)(c1cnn(-c2[nH]c3cc(c(Cl)cc3n2)Sc4cc(C)ccc4)c1)O	6
+C[Si](C)(C)CCOCN1C(c2c(N=C1n3ncc(C(OCC)=O)c3)ccc([N+](=O)[O-])c2)=O	5567
+C(=O)(c1cnn(C)c1)O	6
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)OCC)n2	187
+C1COCCN1c2nn3cc(ccc3n2)NC(c4n(ncc4C(=O)OCC)C)=O	510
+CN(C)c1nn2c(n1)cc(cc2)NC(=O)c3c(cnn3C)C(=O)OCC	187
+c1(cc(ccc1)OC)-c2nc3n(ccc(c3)NC(c4c(cnn4C)C(=O)OCC)=O)n2	187
+c1cc(ccc1)-c2nc(CCNC(=O)c3n(C)ncc3C(OCC)=O)c(C)o2	81
+FC(F)(F)c1cc(ccc1)-c2nc(on2)Cn3cc(C(=O)OCC)cn3	2383
+c1(cccc(-c2csc(Cn3ncc(c3)C(=O)OCC)n2)c1)Br	963
+C(C)OC(c1cnn(CC(N)=S)c1)=O	3378
+c1c2c(ccc1O)c(cs2)C(=O)OCC	5
+c1(nccc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)n1)N	511
+c1(cc(Oc2ccccc2[N+]([O-])=O)cc3n(C)c(cc13)C(=O)OCC)Cl	46
+O=S(=O)(Nc1ccc(Cl)c2cc(n(COC)c12)C(OCC)=O)c3cccs3	2412
+c1cc(ccc1Oc2ccc(c3cc(C(=O)OCC)n(C)c23)Cl)[N+]([O-])=O	551
+c1c2n(C)c(cc2c(cc1)O)C(=O)O	6
+c1cc(ccc1C(c2n(CC)c(C(OCC)=O)cc2C)=O)CCl	1873
+CC(C)(C)NC(=O)c1nnc2cnccn12	1506
+O=Cc1ccc2ncc(n2c1)C(=O)OCC	5568
+CCc1cccc(CC)c1NC(=O)N2Cc3[nH]nc(c3C2)C(OCC)=O	326
+c1cc(ccc1-c2nc(C(=O)OCC)n3ccccc23)F	5569
+c1c(cnc(c1)NC(c2nc(CC)cc(Br)c2)=O)F	5570
+C(C)OC(c1nc2n(cc(-c3[nH]nnc3)cc2)c1)=O	3235
+C1CN(CCN1)c2nn3cc(C(=O)OCC)nc3cc2	212
+CC(C)NC(c1[nH]c(C(=O)OCC)nc1)=O	312
+c1(nc(ccc1C)Cl)C(Nc2c(c(ncc2C)C(=O)OCC)C)=O	187
+C(C)OC(c1ncc(C)c(N)c1C)=O	0
+C(C)OC(=O)c1nc(Cl)c(CC)[nH]1	844
+n1n(C)c(CC)cc1C(=O)O	6
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5cc(C(OCC)=O)nn5ccc4	56
+C1CC1c2nc(Nc3c(nnc(Cl)c3)C(OCC)=O)ccc2	845
+CC(C)(O)c1cccc(n1)Nc2c(nnc(c2)Cl)C(OCC)=O	845
+CC(C)(c1nc(ccc1)Nc2c(nnc(c2)Cl)C(OCC)=O)C#N	845
+CC(C)c1c(nc(cc1)Nc2c(nnc(c2)Cl)C(OCC)=O)OC	845
+CN(C)c1c(ccc(Nc2c(nnc(Cl)c2)C(OCC)=O)n1)C	845
+FC(F)(F)c1cccc(Nc2c(nnc(c2)Cl)C(OCC)=O)n1	845
+c1(nc(Nc2c(nnc(Cl)c2)C(=O)OCC)cc(C)c1)C	845
+c1ccc(nc1Nc2cc(nnc2C(=O)OCC)Cl)OCC	845
+c1c(c(cc(-c2noc(C(=O)OCC)c2)c1)C)OCCc3cc4C(=O)N(c5c(N(c4nc3)CC)nccc5)C	126
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(c3sc(cc3)C(=O)OCC)C)C	20
+C(CCCCCCCCCC(Nc1sc(C(=O)OCC)cc1)=O)CCCCC	2414
+C(C)OC(c1sc(cc1)N)=O	2415
+c1(c2cc([N+]([O-])=O)ccc2[nH]n1)OC	5571
+CC(C)(O)Cn1c(COCC)nc2c1c3ccccc3nc2	5572
+c1cc(ccc1C)C=C(OCC)C(OCC)=O	5573
+C(C)OCc1n(CC#C)c2c(n1)c(nc3c2cccc3)Cl	5574
+C(C)OCc1n(c2c(n1)c(nc3c2cccc3)Cl)Cc4cc(C)no4	5575
+C(C)OCc1n(c2c3c(cccc3)nc(N)c2n1)Cc4cc(C)no4	3379
+c1ccccc1NC(NCCCNn2c3c(c(N)nc4c3cccc4)nc2COCC)=O	282
+C(C)OCc1n(NCCCNC(NCC)=O)c2c(c(N)nc3CCCCc23)n1	5576
+CN(C)CC=CC(Nc1cc2c(ncnc2cn1)Nc3ccc(Cl)c(c3)C#C)=O	5577
+c1(cc(cc(C)c1OCOCCOC)C=CC=CC(OCC)=O)C	5578
+CCOP(OCC)(=O)CCCN1C(=O)C(=C(O)c2ncc(cc12)Cc3ccc(cc3)F)C(OCC)=O	3380
+CC(C)(C)OC(N(C1CCN(CC1)Cc2ccccc2)CCP(OCC)(OCC)=O)=O	23
+O(CC)P(OCC)(=O)CCc1ccnc(C=2Sc3c(ccc(Cl)c3)C(N=2)=O)c1	2416
+O(CC)P(OCC)(COCCCONc1nc(nc(Cl)c1NC=O)NC=O)=O	3381
+C(C)OP(OCC)(=O)COCCCOn1c2c(nc1)c(N)nc(N)n2	5579
+C(C)OP(OCC)(=O)COCCCOn1c2c(c(N)nc(NC=O)n2)nc1	1095
+C(COn1cnc2c(ncnc12)N)OCP(=O)(OCC)O	228
+C(C)OP(OCC)(=O)COCCOn1c2c(nc1)c(ncn2)N	1095
+c1ccccc1COC(CC(C)(C)c2c(ccc(P(OCC)(=O)CP(OCC)(OCC)=O)c2)O)=O	283
+C1CC(CCN1Cc2ccccc2)=Cc3ccc(cc3)C#N	846
+C(C)OP(OCC)(c1cc2c(cc1)c(C(N)=O)nn2CC(=O)N3CC(CC3C(NCc4c(F)c(ccc4)Cl)=O)F)=O	247
+CCOP(OCC)(c1cc(-c2sccc2P(OCC)(OCC)=O)sc1)=O	3382
+O=C(OCC)C(C)=Cc1cc(Br)cc2CCCN(C)c12	1096
+O=C(OCC)C(C)=Cc1c(ccc(c1)Br)N2C(C)CCC2	1096
+c1cc(ccc1C=C(C)C(OCC)=O)C	1096
+c1cc(ccc1C=C(C)C(OCC)=O)CCc2n3cncc3ccc2	1096
+c1cc(ccc1CC2=C(n3c(ncn3)N(C2=O)C4CCC(CC4)=CC(=O)OCC)CCC)-c5ccccc5C#N	1874
+CC(C)(C)OC(=O)NC(CCc1ccc(cc1)OCCCCCCC)(C)C=CC(=O)OCC	1875
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2c(C=1c3ccccc3)cc(C=CC(=O)OCC)cc2)=O	1097
+CC(C)(C)[Si](C)(C)OCC1C(CC)CC(C1)=CC(OCC)=O	1874
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)C=CC(=O)OCC	1875
+CC(C)N1CCCc2cc(ccc12)C(C)=CC(=O)OCC	3383
+CC(C)Oc1nn(c(C=CC(=O)OCC)c1)Cc2ccc(cc2Cl)Cl	2417
+C1C(C)CC(CC1=CC(OCC)=O)C	1874
+FC(F)(F)c1ccc(cc1)CCC(OCC)=O	5580
+FC(F)(F)c1ccc(nc1)-n2cc(C=CC(=O)OCC)c(CCC)n2	3384
+FC(F)(F)c1cnc(cc1)-n2nc(C(C)C)c(c2)C=CC(=O)OCC	3384
+O(CC)C(C=Cc1c2c(nn(C)c2)c(F)cc1)=O	1097
+O(CC)C(C=Cc1ccc(cc1F)OC)=O	1097
+COc1c(OC)c(cc2cc(ccc12)C=CC(OCC)=O)OC	1097
+c1ccccc1CCC(=CC(=O)OCC)C	1874
+c1cc(ccc1)COc2ccc(C=CC(=O)OCC)cc2OC	1097
+c1ccccc1-c2cn(Cc3cc4c(cc3)cc(cc4)OCc5ccccc5)cc2C=CC(OCC)=O	3385
+c1cc(ccc1)S(=O)(=O)N2CCN(C(OCc3ccccc3)=O)CC2CCC=CC(=O)OCC	1875
+c1cc(ccc1F)C(c2ccc(cc2)F)=CC(OCC)=O	5581
+C1CC(CCC1)(c2ccc(cc2)F)C=CC(OCC)=O	1875
+c1cc(ccc1Cn2cc(-c3ccccc3)c(C=CC(OCC)=O)c2)OCc4ccccc4	3385
+c1ccccc1C(CC)Oc2c(cc(C(C)=CC(=O)OCC)cc2)[N+]([O-])=O	3383
+c1ccccc1CCOc2ccc(Cl)cc2C=CC(OCC)=O	1097
+c1ccccc1COc2cc3c(c(nn3C4OCCCC4)C=CC(=O)OCC)cc2	2417
+c1ccccc1Cn2nc(cc2C=CC(=O)OCC)OCCC	2417
+O(CC)P(OCC)(CCCN)=O	18
+O(CC)P(OCC)(CCC=1C=C[N+](C(=C=[N-])C=1)=O)=O	1269
+c1n(c2c(c(ncn2)N)n1)OC(COCP(=O)(OCC)O)CO	228
+C(C)OP(OCC)(=O)COCCOn1c2ncnc(Cl)c2nc1	1876
+CC(C)(C)OC(=O)NC1CCC(CC=Cc2c3c(ccc(OC)c3F)ncc2Cl)OC1	3386
+c1cc(ccc1CP(OCC)(=O)O)OCC2(CCCCC2)C	228
+n1(nc(c2ccc(P(=O)(O)OCC)cc12)C(=O)N)CC(N3CC(F)CC3C(NCc4cccc(Cl)c4F)=O)=O	228
+C(C)Oc1cc(cc(OCC)c1-c2ccc(cc2)F)CN3CCC4(CC3)CC(=O)N(c5ccc(cc5)C#N)C4	654
+O(CC)c1cc(cc(OCC)c1-n2cccc2)CO	217
+O=S(=O)(CC)c1ccccc1C(=O)C	720
+C(Sc1ccccc1CO)C	98
+CC[Si](CC)(CC)OC(CC)(CC)CCC=C(CC)c1cc(Br)cs1	655
+[N+]([O-])(c1cc(cc(c1N)CC)[N+]([O-])=O)=O	5582
+CC(C)(C)OC(N1CCC(CC1)COC2CC2)=O	3387
+O=Cc1cc(CC)cc(C(=O)O)c1	5583
+C1CC1Oc2c(cc(cc2)Br)Cl	3387
+c1ccccc1-c2c(CC)nc3c(c2Cl)cc(F)cc3	5584
+C1N(CC1N2CC(NCC2)=O)Cc3sc4nc(-n5c6ccccc6nc5CC)nc(N7CCOCC7)c4n3	1098
+C1N(CC1(C)O)CCc2nc3c(N4CCOCC4)nc(-n5c6c(nc5CC)cccc6)nc3n2C	1098
+C(C)c1c(cccc1)-c2c3n(C)c(Cl)nc3ccc2	1088
+c1(nnc(Cl)c(CC)c1C)NN	599
+c1c(c(c([N+]([O-])=O)cc1)NC(C)=O)CC	31
+C(C)c1c(cc(Oc2c(cc(C(N3CC(=O)NCC3)=O)cc2)F)c(c1)OC)F	3388
+C(C)c1c(cc(Oc2c(F)cc(C(=O)O)cc2)c(c1)OC)F	5585
+C(C)c1c(cc(c(O)c1)Oc2c(cc(C(N3CC(=O)NCC3)=O)cc2)F)F	5
+O=C1CN(C(=O)c2cc(c(cc2)Oc3cc(F)c(CC)cc3OC)F)CCN1C	782
+C(C)c1c(cccc1)-c2cccc3nc(n(C)c23)Nc4c(C)cc(cc4OC)Br	1494
+C(C)c1cc(Br)cc([N+]([O-])=O)c1	480
+Nc1cc(cc(CC)c1)Br	0
+C(C)c1cc(cc(CC)c1-c2cc(COc3ccc4c(OCC4CC(O)=O)c3)ccc2)OCCCS(=O)(=O)C	4
+C(C)c1ccc(c(c1)F)CNC(CC#N)=O	248
+C1COCCN1c2c(F)ccc(c2)CC	79
+C(C)c1ccc(CN)c(c1)F	107
+c1cc(ccc1OCC(c2ncc(cc2)CC)O)C=O	8
+FC(F)(F)c1ccc(cn1)CCn2c3c(CN(CC3)C)c4c2ccc(CC)c4	3389
+C1C(C(CN(C(=O)Nc2cccc(CC)c2)C1)C(OCC)=O)=O	326
+Cc1c(cccc1)-c2c3c(nc(Cl)n2)CCN(C3)C(Nc4cc(CC)ccc4)=O	326
+NC(=S)Nc1cccc(CC)c1	1099
+FC(F)(F)Oc1ccc(cc1)-n2nc(-c3ccc(cc3)CCCNC(=O)NC(Nc4ccccc4CC)=S)nc2	3390
+c12n(c(nn1)CC)-c3c(cc(OC)cc3)NC2=O	5586
+O(C(CCC1(c2ccc(OC)cc2N(C1=O)c3c(cccc3)F)NC(=O)c4cc5c(cn4)cccc5)=O)C	2418
+C1CN(CCN1CCCCC23c4c(NC2=O)cccc4CCC3)C5c6c(cccc6)CCCC5	28
+C(C12C(=O)Nc3cccc(CCC1)c23)CCCN4Cc5c(CC4)c6cc(OC)ccc6[nH]5	28
+C(C12C(=O)Nc3cccc(CCC1)c23)CCCN4Cc5c(CC4)c6c(ccc(O)c6)[nH]5	5
+C(C1=C(N2C(=O)C(NC(=O)Cc3c(cccc3)CN)C2SC1)C(O)=O)(Sc4nnn[nH]4)CC(=O)O	18
+c1([N+]([O-])=O)ccc2c(C(=CC(C)(COC)O2)C(=NC#N)NC)c1	5587
+C1CC1S(=O)(=O)NC(C2(CC2C=C)NC(=O)C3CC(O)CC3C(N(C)CCCCC=C)=O)=O	344
+C(C1C(CC(O)C1)C(=O)N(CCCCC=C)C)(=O)NC2(CC2C=C)C(=O)O	3
+C(NC1(CC1C=C)C(=O)OCC)(C2CC(CC2C(=O)N(CCCCC=C)C)OCOCC)=O	433
+C(O)C1CC(CC1CC)=O	86
+C1CCCC(C1CBr)C(NCC#N)=O	552
+O=S(=O)(N)OCC1CC(CC1OC(C)=O)n2c3ncnc(NC4c5ccccc5CC4)c3cc2	2419
+C(C)(=O)NC1CC(C(=O)N)CCC1	327
+CC(C)(C)OC(NC1CCC(CC1O)C(=O)OC)=O	3391
+CC(C)(C)OC(=O)n1cc(-c2c(OCC3C(C3)c4ncc(cc4)OC)nc(C)nc2)cn1	2420
+C1C(CCC(=C1)CCCCC)CO	21
+C1C(CO)CCC1CC	95
+C1CC1C=C(C(N2CCCC2Cn3c4c(c(n3)-c5c(F)cc(cc5)Oc6cccc(F)c6F)c(N)ncn4)=O)C#N	847
+C12CC3CC(C1)CC(C2)(C3)NC(c4ccc(nc4SCCC)N5CCCC(C5)CC(OC)=O)=O	43
+FC(F)(F)Oc1ccc(cc1)CCNc2cc(N3CC(CCC3)CC(=O)OCC)nc(n2)OC	54
+C1CC1C(N2CCC(C2)CC(OCC)=O)=O	58
+c1c(-c2cc(F)c(cc2)C#N)nc(N)nc1N3CC(C(=O)O)CCC3	198
+C1(CCC(C(=O)O)CN1c2cc(-c3cc(F)c(cc3)C#N)nc(N)n2)C	5588
+CC(C)(C)OC(=O)N1C(C)CCC(C1)C(=O)OC	23
+FC(F)(F)c1nc(-c2cccc(C(=O)N3CC(N(c4ccc(C#N)cn4)CC3)C(=O)OC)c2)no1	30
+O=S(=O)(C)NCC1COCc2n1c3c(c(nc4c3cccc4)N)n2	111
+C(OCC)(Oc1cc(C)c2c(B(OC2CC(=O)O)O)c1)=O	644
+Oc1nc2c(C)cc3c(c2cc1)OC(CCCl)C3	1507
+CN(C)CCOCCCC1Sc2c(C)c(OCOC)c(c(C)c2O1)C	481
+c1cc2c(CCC2C(=O)O)cc1F	270
+CC(C)(C)OC(NC1Cc2ccccc2C1Cc3cc(Cl)c(cc3)Cl)=O	37
+C(C1c2ccccc2C(=O)N1)COC	21
+c1cc(ccc1S(=O)(=O)CCC2NC(c3ccccc23)=O)C	5589
+C(C1c2ccccc2C(=O)N1)CO	88
+c12c(ncnc1nc[nH]2)NC(C)C=3N=C4N(C(=O)C=3c5cc(F)ccc5)C(=CS4)C	3392
+c1(cc(F)ccc1)C=2C(N3C(=CSC3=NC=2C(C)Nc4ccnc5nc[nH]c45)C)=O	5590
+c1c(Cl)c(ccc1)C2=C(C(N=[N+]=[N-])C)N=C3N(C(C)=CS3)C2=O	1100
+[N-]=[N+]=NC(C)C=1N=C2N(C(=O)C=1c3cc(F)ccc3)C(=CS2)C	1100
+C12C(CCCC1)CC(CC2)(O)C#CCC=C	5591
+C1CC(CCC12CC2)COc3c(C(=O)OCC=C)cnc(Cl)n3	5592
+C1CCCCC1n2c(CCCOc3ccc4N(C(=O)C=Cc4c3)CC=C)nnn2	5593
+C1CCCN1c2cc(C)nc3c2ccc(OCC=C)c3	220
+C1COCCN1C(C)(C)C(c2ccc(cc2)SCC=C)=O	5594
+CC(C)(C)Cc1coc2cc(OCC=C)ccc12	220
+CC(C)(C)OC(=O)N1CCN(c2c(F)cc3c(N(C=C(C(OCC=C)=O)C3=O)C4CC4)c2OC)CC1C	5595
+CC(C)(C)OC(N1CCN(CC=C)C(=O)C1)=O	3393
+CC(C)(C)OC(N1CCC(CC1)(C(=O)OC)CC=C)=O	5596
+CC(C)(C)OC(N1CCC(C(O)C1)c2ccc(cc2)OCC=C)=O	220
+CC(C)(C)OC(NC(COCC=C)C(O)=O)=O	848
+CC(C)(C)[Si](C)(C)OCC1OC(N2C=C(C(NC2=O)=N)I)CC1OCC=C	848
+CC(C)(C)[Si](C)(C)OCc1c2N(CCC(c2ccc1)OCC=C)CC	848
+CC(C)(C)c1c(OC(C(C)(C)C)=O)ccc(c1)OCC=C	220
+CC(C)(C)c1cc(cc(C(C)(C)C)c1OC(C)=O)OCC=C	220
+CC(C)CC(C(C(=O)OC)O)C(=O)OCC=C	5597
+CC(C)CCC(COCC=C)C(C)O	848
+CC1(C)CC(CC(C)(C)N1CC=C)N2C(=O)c3ccccc3C2=O	1863
+CN(C)C=NS(=O)(=O)c1c(Cl)ccc(C(=O)c2ccc(OCC=C)c(Cl)c2Cl)c1	220
+C(CN(C)c1ccccc1CC=C)=C	2421
+COc1cccc(c1)C2(CC)C(N(CCCC2)CC=C)=O	3393
+Cc1cc(cc(C)c1Oc2nc(C)cc(NC(CC)CC)c2NCC=C)C	5598
+Cc1ccccc1-c2c(Cl)cccc2OCC=C	220
+Clc1c2c(ccc(c2)OCC=C)ccn1	220
+Clc1cc(c(C(=O)OC)cc1)OCC=C	220
+FC(F)(F)C(N1C(Cc2cc(c(cc2C(C)C1)Br)OCC=C)C)=O	220
+FC(F)(F)C(=O)NC(COCC=C)c1ccccc1	848
+FC(F)(F)C(=O)N1CC(C)c2c(cc(OCC=C)c(Br)c2)CC1	220
+FC(F)(F)C=1N(C(N(c2ccc(c(c2)C(=O)OC(C)(C)C(OCC)=O)Cl)C(=O)C=1)=O)CC=C	5599
+FC(F)(F)c1c(c(nc(N(CC=C)Cc2ccccn2)c1)Cl)Cl	5600
+CN(c1cc(ccc1)O)CC=C	2421
+c1([N+]([O-])=O)cc(C#N)ccc1NCC=C	5601
+O=Cc1cc(c(cc1Cl)OCC=C)Br	220
+O=S(=O)(N1CCN(CC1)C)c2cc(-c3nc(c4c(c(CCC)nn4C)n3)O)c(cc2)OCC=C	220
+c1c(cc(C(=O)O)cc1N2CCCC2=O)OCC=C	220
+c1(C=O)cc(c(cc1)OCC=C)Cl	220
+c1([N+]([O-])=O)cc(OCC=C)c(cc1)C#N	220
+c1(c2cccc(c2nn1CC=C)F)-c3ccc(OC)cc3OC	5602
+O(CC=C)c1c(Cl)cccc1	220
+c1(cc(Cl)c(cc1Br)OCC=C)F	220
+c12c(ccc(OCC=C)c1)cc(cc2)OC	220
+C(Cn1c(nc2c1cccc2)-c3c([N+]([O-])=O)c(Cl)ccc3)=C	5603
+C1CN(CCN1CC=C)c2nc3c(n2)ccccc3	1863
+c12c(n(CC=C)c(c1)C)c(nc(c2)C#N)N3Cc4c(cccc4)CC3	5604
+c1cc(c2c(c(C)co2)c1OCC=C)C(=O)c3sccc3	220
+c1(C)cc(cc(C)c1)OCC=C	220
+c1c(cccc1OC(=O)C)OCC=C	220
+c1cc(c(cc1I)C=O)OCC=C	220
+c12cc(ccc1[nH]cc2)OCC=C	220
+c1c2cccnc2ccc1OCC=C	220
+c1cc(ccc1)-c2c(-c3c(ccc(c3)F)OCC=C)cccc2	220
+c1ccccc1CCC(O)CC=C	5605
+c1cc(ccc1)COC(N2c3c(OC(COCC=C)C2)cccc3)=O	848
+c1cc(ccc1-c2ccccc2C)OCC=C	220
+c1cc(ccc1Br)CC=C	3394
+c1(C=O)ccc(c(c1)CC=C)O	5606
+c1cc(ccc1OCC=C)CCC(=O)OC	220
+c1cc(ccc1CCCBr)C(OC)=O	5607
+c1cc(ccc1Cc2cc(Br)ccc2Cl)CCOCC=C	848
+c1cc(ccc1CCc2oc3cccc(OCC=C)c3c2C)OC	220
+c1cc(ccc1COC(C)C(Cc2ccccc2)C(Cc3ccccc3)OCC=C)OC	848
+c1cc(ccc1CC=C)Cl	3394
+c1cc(ccc1Oc2ccc(cc2)C)OCC=C	220
+c1cccc(-c2c(Cl)cccc2OCC=C)c1Cl	220
+c1ccccc1C2C(C)N(C(=O)C(CC=C)CCCC)C(=O)O2	5608
+c1cc(ccc1)CCOCC=C	848
+c1ccccc1COc2cc(ccc2)C=CCOCC=C	5609
+c1cc(ccc1)N(CC=C)CC	2421
+c1cnn(c1C(=O)c2c(Cl)c(c(OCC=C)cc2)Cl)C	220
+o1c2cccc(c2c(c1CC)C)OCC=C	220
+C(CC(CC=C)(c1ccc(cc1)C(OC)=O)CO)=C	272
+C(C=C)C(CC=C)OCCCCCCCCCCOc1ccc(cc1)C(=O)O	1
+c1cc(ccc1C=CS(=O)(=O)Nc2c(S(=O)(=O)N(CC=C)CC=C)cncc2)Br	5610
+c1cc(ccc1)S(=O)(=O)CC=CC=CC(=O)OC	5611
+CN(CCNC(=O)c1ccccc1O)C(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC	93
+C(C=CCC=CCCCCC)C=CCC=CCCCCN	18
+C(C=CCC=CCCCCC)C=CCC=CCCCCN=[N+]=[N-]	600
+c1cc(ccc1S(=O)(=O)NCC=CCCCC(O)=O)Cl	2422
+C(CCCc1ccc(F)c(Br)c1)(OC)=O	783
+c1ccc(CO)cc1CCC(OC)=O	159
+C(OC)CCCc1cc(ccc1)Br	374
+C(=O)(O)C=Cc1cc2c(nccc2)cc1[N+]([O-])=O	127
+c1c(Oc2cnc(C)cc2)c(cc(c1)Nc3c4cc(ccc4ncn3)C=CCNC(C)=O)Cl	1475
+C(c1ccc(N)cc1C)CC(OC)=O	159
+C(C=Cc1ccc(nc1)N(C(C)=O)C)(OC)=O	3395
+C(c1ccc(cc1C)CO)CC(OC)=O	159
+c1(cc(ccc1C=CC(OC)=O)F)OC(CC)C	313
+c1cc(ccc1OCCN2CCOCC2)C=CC(CC(C=Cc3cc4[nH]ccc4cc3)=O)=O	964
+C(=O)(O)C=Cc1ccc2cc[nH]c2c1	127
+CCOC(=O)c1c2c(Cl)cccn2c(CCOCC)c1	5612
+Fc1c(ccc(-c2nn3c(Cc4ccc5nccnc5c4)cnc3nc2)c1)Br	5613
+C(C(Cl)Cc1cc(ccc1OC)F)=O	5614
+c12cc(OC)cc(OC)c1nccc2	5615
+c12c(CCCC1N(C)Cc3nc4cccc(-n5ccnc5)c4[nH]3)cccn2	5616
+c1cc(ccc1C)S(=O)(=O)N2CCOc3cc(ccc3OCC2)-n4cncc4	2423
+c1cc(ccc1-n2cncc2)NC(=O)C3N(CCN(c4cc(Cl)c(cc4)Cl)C3)CC	5617
+c1cc(ccc1-n2ccnc2)OC(C)CCN3CCOCC3	2423
+c1cc(ccc1-n2cncc2)OC3CCCN(Cc4ccc5c(c4)OCO5)C3	2423
+n1ccnc2c(nc(cc12)Cl)Cl	5618
+c1ccc2nccnc2c1[N+]([O-])=O	2424
+c1cc(C)cc2nccnc12	2424
+c1cc(ccc1)C(=O)c2ccc3nccnc3c2	2424
+C(O)CC1CCCOC1	237
+c1cc(ccc1[N+]([O-])=O)CCN2CCN(CC2)CCc3ccc(c(c3)F)C#N	61
+CC(C)=CCn1c(Cl)nc2N(C(N(CC(=O)c3c(OC)cccc3)C(=O)c12)=O)C	1833
+c1c(c(-c2csc(N)n2)ccc1)OC	354
+c1(ccccc1OC)C(=O)CN=[N+]=[N-]	3396
+CC(C)(C)OC(=O)N=C1NC(=O)N(CCC(F)CBr)C=C1	5619
+c1ccccc1CC(NC2=CC(N(CCC(CBr)F)C=C2)=O)=O	5620
+c1(nc(cs1)-c2nn3c(cccc3)c2-c4cc(F)ncc4)C	3338
+c1cc(ccc1OCC(=O)c2ccc(Br)s2)Cl	702
+c1cc(ccc1)C(C(=O)C)CC=Cc2ccccc2C	5621
+FC(F)Oc1c(-c2nn(cc2NC(=O)c3c4n(cccn4)nc3)CCC#N)cc(Cl)cc1	338
+O(CCOCCc1cccc2ccccc12)CCC#N	176
+C(CC(=O)O)Oc1c(F)cccc1	5622
+O(C(=O)CCN(CCNC(c1nc(c(nc1N)N)Cl)=O)C)C	1877
+C1C2CC3CC(CC1C3)C2NC(c4nc(N5CCN(CC5)CCC(=O)OC)ccc4)=O	1877
+c1(OC)n(c2nc(nc(N)c2n1)OC(CCC)C)CCCCCl	637
+c1cc(ccc1OCCCCN2CCOCC2)C#N	5623
+Clc1cccc(c1)-c2c(C(=O)N)sc(-n3cnc4c3cc(cc4)OCCCCCl)n2	8
+N1(C(Nc2c(ccc(OCCCCCl)c2)CC1)=O)C	8
+N1c2c(ccc(OCCCCCl)c2)CCC1=O	8
+O=S1(=O)c2ccn(CCCCCl)c2C(=O)CN1C	1878
+n1c2c(n(CCCCCl)c1)cccc2	656
+c1cc2n(CCCCCl)nnc2cc1	5624
+c1cc(ccc1OCOC)C2(COc3c(C2c4cccc(c4)OCCCCCl)ccc(OCOC)c3)C	8
+c1cc(ccc1OCCCCCl)Cn2c(nc3c2nc(nc3N)OCCCC)OC	8
+O(CCCOCCCBr)c1c(c2c(ccc(OCC(OC)=O)c2)cc1)C(C)=O	8
+C1CC1(c2cnc(cc2)Cl)C(=O)OCC	5625
+C(c1cc(c(C)cc1)N2C(=O)c3cc(ccc3N=C2)OCCCl)(=O)O	8
+C1CC(CCC1NC(C=Cc2cc(c(OCCCl)cc2)OC)=O)C	8
+C1CC1NC(=O)c2cc(c(cc2)C)N3C=Cc4c(cc(OCCCl)cc4)C3=O	8
+C1CCC1(c2c(OCCCl)cccc2)NC=3C(N(C=CN=3)c4cc(ccc4C)C(NC5CC5)=O)=O	5626
+C1CC1(c2ccccc2OCCCl)N=C3NC=CN(c4cc(C(NC5CC5)=O)ccc4C)C3=O	5627
+C1CC1NC(c2ccc(c(N3C(=O)c4cc(ccc4N=C3)OCCCl)c2)C)=O	8
+CC(C)(C)OC(=O)c1sc2c(c(C)c(OCCCl)c(n2)C)c1N	458
+CC(C)CN(CC(C)C)c1ccc(C2(CC2)C#N)cc1[N+]([O-])=O	1486
+FC(F)(F)c1cc(ccc1)N2CCN(CC2)CCCl	28
+FC(F)(F)c1ccc(c2n(C)c(C(OCC)=O)cc12)OCCCl	458
+c1(c(F)c(c(c(OC)c1)F)N2Cc3c(cc(nc3)Cl)C4(CC4)C2=O)OC	5628
+C1CC1(C#N)c2c(Cl)cc(cn2)Br	5629
+C1CC1(c2ccc(cc2)Br)C(O)=O	3397
+C1CC1(c2c3c(ncc2)cccc3)C(O)=O	3397
+c1c(Cl)c(OCc2cccc(F)c2)ccc1Nc3ncnc4cccc(OCCCl)c34	8
+O=C1c2ccccc2C(=O)N1OCCCl	5630
+c1cc(ccc1)COc2ccc(C3(CC3)C#N)cc2OCc4ccccc4	1486
+c1cc(ccc1-c2n(c3c(c2C#N)ccc(OCCCl)c3)CC)NC(=O)C4CC4	8
+c1cc(ccc1-c2nc(CC(=O)OC)co2)OCCCl	8
+c1cc(ccc1C2(CC2)C#N)C=C	1486
+c1cc(ccc1OCCCl)CCC(=O)OC	8
+c1cc(ccc1Cc2ccc(cc2)-c3occn3)OCCCl	8
+c1cc(ccc1C2C(C)(c3ccc(cc3)OCOC)CSc4cc(ccc24)OCOC)OCCCl	8
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCCl)c(OC)cc45)C)C	8
+c1cc(ccc1SCCCl)C=O	636
+C(COc1cccc(c1)Nc2cc(nc3ccccc23)C)Cl	8
+c1ccccc1-c2c(-c3ccccc3)n(cn2)CCCl	541
+C1CC1(C#N)c2ncc(cn2)C	5631
+C1CC1(c2cc3cccnc3cc2)C#N	1486
+O=S(=O)(c1c(C=2OCCN=2)c(c(cc1)C(=O)OC)Cl)C	5632
+c1ccccc1COC(=O)NCCBr	101
+C1CC2(CCN1C(OCC)=O)C(=O)c3ccc(F)cc3C2	5633
+C1C2CC3CC(CC1C3)C2NC(c4nc(ccc4)N5CCN(CC5)CCO)=O	28
+C1CC(Nc2cccc(OCCO)c12)=O	8
+C1CC1NC(=O)c2cc(-n3c(c(cn3)C(c4cccc(c4)OCCBr)=O)N)c(cc2)C	20
+O=S(=O)(N(CCO)c1c(C2CC2)cc3c(nn(-c4ccc(C)cn4)c3C(NC)=O)c1)C	1233
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(c(c(C)c4)OCCO)CC)c2)OC	8
+C1CN(CCO1)c2nc(Cl)nc3c2cc(cc3OCCO)Br	458
+c1cc(ccc1C#N)NC(C(=O)OCC)c2c(F)c(OC3CCN(CC3)CCO)cc(OCC)c2	28
+C1C(CN1CCO)Oc2nc3c(n2-c4ccnc(N)n4)cc(Br)cc3	28
+CC(C)(C)Nc1c2c(cc(n1)Cl)C=CN(CCO)C2=O	5634
+CC(C)(C)OC(=O)NC1CCN(CC1)CCO	28
+CC(C)(C)OC(NC(Cc1ccc(cc1)OCCBr)C(=O)OC)=O	20
+c1ccccc1C2=NC(C)(C)Cc3c2c4CC(C)(C)Oc4c(OCCO)c3	8
+c1c(OC)c(OC)ccc1CCN(C)CCO	28
+O=S(=O)(CCO)c1ccc(Cl)c(c1)[N+]([O-])=O	3398
+FC(F)(F)c1cc(F)ccc1OCCBr	20
+n1n(cc(I)c1)CCO	338
+C1N(C(CN(CCO)C1)=O)C	1508
+O1C2CN(CC2OC1)CCO	28
+c1c(c(OCCO)ccc1)Br	8
+S(c1nc2nc(C)cc(C)n2n1)CCO	2425
+C(O)CN1CC(C(CC1)N=[N+]=[N-])O	28
+c1(C)c(ccc(OCCO)c1)[N+]([O-])=O	8
+c1ccc(cc1NCCO)Nc2nc(c(cn2)F)Nc3cc4c(OCCO4)cc3	601
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCO)=O)O	28
+c1cccc2C(=O)N(C(=O)c12)CCN(CC)CCO	28
+C(O)Cn1ccc2ccccc12	339
+c1c(OCCO)cc(c(OC)c1)OC	8
+c1c(ccc(OCCO)c1F)F	8
+c12c(cccc1)ccc(c2)OCCO	8
+N1(C(=O)C=CC(Br)=C1)CCO	5635
+c1ccccc1NCCO	601
+c1cc(ccc1)OCc2nn(CCBr)c(C(OCC)=O)c2	2426
+c1cc(ccc1-n2cc(nc2)CNC(c3sc(cc3)Cl)=O)N4C(C(=CC=C4)OCCO)=O	5636
+c1cc(ccc1OCCO)Br	8
+c1cc(ccc1CC)Cc2c(Cl)cc(c(Br)c2)OCCO	8
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3c4ccc(OCCO)cc4CCC3)C(C)C	8
+c1cc(ccc1N(C)C)-c2nc3c(ccc(OCCO)c3)nc2	8
+C1CN(CCN1CCO)c2ccc(cc2)[N+]([O-])=O	28
+O=S(=O)(N(c1c(c([N+]([O-])=O)cc(C)c1)N)CCO)c2ccc(cc2)C	1233
+c1cc(ccn1)C(Cn2c3c(c4c2ccc(c4)C)CN(CC3)CCO)O	28
+c1(Nc2c3cccc(c3ncc2C(CC)=O)OCCO)c(C)cccc1	458
+c1ccccc1-c2onc(OCCBr)c2	5637
+C(c1ccc(C(NC)=O)c(NCC)n1)CCCN	587
+c1cc(nc(CF)c1)C#CCCNC(=O)c2c(cccc2)Cl	93
+C(C)CC(=O)CC(OCCC#N)=O	3307
+Brc1cc(CCC#N)c(CCCO)s1	407
+C(CCOC(C)OCC)(=C)Br	3399
+c1cc(ccc1)[Si](c2ccccc2)(OCCC(=C)Br)C(C)(C)C	328
+c1ccccc1Nc2nc(C)cc(n2)COC	5638
+C=1(C(=O)NC(=O)C=1c2cc(NC(CCO)C)ccc2)c3c4ccccc4n(C)c3	231
+C(OC(=O)OCCC(=O)C)C	405
+Cc1c2nc(nn2c(C)cn1)CCc3ccc(O)c(NC(C)CCO)n3	1270
+c1cc(ccc1)COCCC(C)=O	149
+Nc1nc(CC(NC2C(=O)N3C(C(=O)O)=C(CSC23)COC(=O)N)=O)cs1	2427
+C(OC(CCC#C)=O)CCC	456
+COc1c(c(Cn2c3nc(nc(Cl)c3c(C#CCCC(=O)O)c2)N)ncc1C)C	5639
+c1c2c([nH]c1CCC(=O)O)c(F)cc(c2)Br	5640
+C(CC(=O)NOC1OCCCC1)C(OC)c2cc(C)c(F)cc2	293
+C(CCCCCC(OCC)=O)CCCCCCCCCO	27
+C1CC1c2nc(N3CCN(C(CCO)=O)C(C4CC4)C3)c(cc2N(C)c5ccnc(Cl)c5)C#N	10
+C1OC(CCC1)OCCC(=O)O	219
+c12c(F)cccc1C(CCO2)=O	214
+C(CC(=O)O)c1c(Cl)c(C(N)=O)c(cc1Cl)Cl	1079
+C(CC(=O)O)c1c(Cl)c(c(cc1Cl)Cl)C#N	1879
+C(CO)Cc1cccc(F)c1	21
+C(OC)(CCc1cccc(F)c1)=O	27
+c1([N+]([O-])=O)cccc(c1)CCCO	21
+C1CN(CCN1C)c2ccc3c(c2)c(O)c(c(N)n3)C#N	3400
+CN(C)c1ccc2nc(N)c(c(c2c1)O)C#N	3400
+CC(C)(C)OC(C(C1C(CC)CCN1)N2CCCC2C(=O)NC(CCSC)C(=O)OC)=O	188
+Cc1ccccc1-c2c(ccc([N+]([O-])=O)c2)C(=O)NC(CCSC)C(=O)OC	259
+FC(F)(F)c1cccc2c1CN(C2=O)C(C(OC)=O)CCSC	1880
+c1cc(ccc1-c2cc(ccc2C(NC(CCSC)C(OC)=O)=O)O)F	3401
+c1cc(ccc1)-c2cc(CBr)ccc2C(NC(CCSC)C(OC)=O)=O	259
+c1ccccc1-c2cc(ccc2C(=O)NC(CCSC)C(OC)=O)I	5641
+C=C(C)CCOc1cccc(NC(C)=O)c1	20
+c1c(OCCC(=C)C)c(Cl)cc([N+]([O-])=O)c1	20
+C(=O)(CC(O)CCCCCCCCCCC)OC	770
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(OC)=O	20
+C(CC(CC=C)OCCCCCCCCCCBr)=C	176
+C(C=C)C(CC=C)OCCCCCCCCCCOc1ccc(cc1)C(OC)=O	8
+FC(F)(F)C(=O)NCC(C)(C)Cc1cccc(c1)C#CC(CCC)(CCC)O	197
+c1cc(ccc1C(=O)O)OCCCCCCCCCCOC(CCC=C)CCC=C	1
+CC(C)(C)[Si](C)(C)OCC(CCCC)(CCCC)COC	19
+c1cc(ccc1)CONC(=O)C(CO)CCCCC=C	293
+C1CC(c2c1c(Cl)ccc2)=O	94
+C(CC(C(=O)OC)N)SC	27
+C(CC(N)C(=O)O)SC	3402
+C(C(OCC)=O)Cc1cc(ccc1O)CCCCC(=O)OCC	165
+O=S(=O)(OCCOCCOC(=O)CCCCCCCCCCCCCCCCCCCCC)c1ccc(cc1)C	36
+c1cc(ccc1Br)Cc2c(CC)n[nH]c2CC	3403
+c1(OC)c(nccc1C(CC)=O)OC	155
+c1ccccc1Oc2c(NC(=O)CCC)cc(Cl)cc2	5642
+CC(CCCC(=O)C)CCC	1101
+CC(C)(C)OC(N1c2cc(Cl)ccc2C(=Cc3cc(ccc3OC(CCC)(CCC)C(=O)OCC)Cl)C1=O)=O	1881
+CCCC(CCC)C(=O)N(C)C(C(OC)=O)CC=C	5643
+C(CCC)C(CCCC)CO	44
+O=S(=O)(C)OCCCCCCCCCC	7
+OB(O)c1ccc(c(F)c1F)CCCCCCCCC	1509
+C(CCCCOCCCCC#N)OCCCCC	176
+c1cc(ccc1NC(=O)C)CC(NC=2C(=O)NC(N(CCCC)C=2N)=O)=O	2428
+c1(c2nnc(c(Cl)c2cc(SCC)c1)C(=O)N)F	3404
+c1ccccc1C2=Cc3c(c(C(=O)OC)ncc3N(CC4CCCCC4)C2=O)O	1510
+c1cc(ccc1)C=2C(N(c3cnc(c(c3C=2)O)C(=O)OC)Cc4sccn4)=O	1510
+c1ccccc1CN2c3cnc(C(OC)=O)c(O)c3C=C(c4ccccc4)C2=O	1510
+c1cc(ccc1)C2=Cc3c(c(C(=O)OC)ncc3N(C2=O)C(C)c4ccccc4)O	1510
+C(C)CN(CCC)C(C(=NNc1ccccc1)C(C)=O)=O	5644
+O=S(=O)(c1cccc(c1)C(O)=O)NCCC(=O)OCC(N(CCC)CCC)=O	71
+c1(F)cc(cc(F)c1)CC(C(CNCc2cccc(OC)c2)O)NC(c3cc(cc(c3)C(=O)N(CCC)CCC)C)=O	14
+C(CC)N(CCC)CCCCN	51
+CCCN(CCC)CCCCN1CCc2c(ccc(C(OC)=O)c2)C1	61
+c1cc(ccc1CNCCCCN(CCC)CCC)C#N	42
+c1cc(ccc1OC)CN2C(N(C(C)=C(C2=O)[N+]([O-])=O)CCC)=O	5645
+C(CC)N1C(=C(C(NC1=O)=O)[N+]([O-])=O)C	2429
+C(CC)N1C(C(N)=C(N)NC1=O)=O	721
+CC(C)(C)OC(NCC(CNc1cc(c2c(CC(=O)N2CCC)c1)F)O)=O	843
+C(CC)N1C(Cc2c1c(F)cc(N)c2)=O	0
+C(CC)N1C(C(=C(N)NC1=O)N=O)=O	1882
+C(C)Cc1c(c(C(C)=O)ccc1OCCCCCOc2ccc3c(OC(CC3=O)C(O)=O)c2CCC)O	3
+Cc1n(-c2cn(CCC)nc2)c3cc(Cl)ccc3c1Sc4cccc(c4)CC(OCC)=O	1865
+FC(F)(F)c1ccc(cn1)Nc2ccc(-c3cc4CCC(CC(=O)OCC)(C(c4cc3)=O)C)nc2	3405
+C(CC1(C(=O)c2ccc(cc2CC1)-c3ccc(N)cn3)C)(OCC)=O	13
+Clc1cccc(c1)COc2cc3OC(C=C(CC(N)=O)c3cc2)=O	657
+C1CN(CCN1Cc2ccccc2)C3C(CCCCC3)CC(OC)=O	85
+C(CC1CCc2cc(ccc2O1)NC(OCC)=O)C#N	90
+C(CC1CCc2cc(N)ccc2O1)C#N	0
+N1(C(=O)C)c2cc(C)cc(C)c2C(CCC(=O)O)C1	459
+c1ccccc1COC(N2CCCCC2CCCO)=O	66
+c1ccccc1CN2CCCCC2CCCO	131
+C(CC1Oc2c(cc(N)cc2)C1)C#N	0
+C(CC1Oc2c(cc(cc2)NC(OCC)=O)C1)C#N	90
+C(CN)CC1Oc2c3ccc(O)nc3c(C)cc2C1	51
+O1CC(CCOC)Oc2ccccc12	21
+C(CC1c2c(CC1)cc(NC(C)=O)cc2)C(=O)O	3406
+O=C1Nc2c(cccc2)C(CCO)C1	88
+C(CCC(CCC=C)OCCCCCCCCCCBr)=C	176
+C(CCC=C)(N=[N+]=[N-])c1ccccc1OC	841
+C(CC=CCC=CCCCC(Nc1ccc(c(c1)C(=O)O)O)=O)=CCC=CCCCCC	1
+C(CC=CCC=CCCCC(=O)Nc1ccc(O)c(c1)C(=O)OC)=CCC=CCCCCC	33
+C(C=CCC=CCCCCC)C=CCC=CCCCCO	95
+C(CCCCC)Oc1cccc(C)c1	8
+Nc1sc(SCCCCCC)nn1	5646
+c1cc(ccc1)-c2nc(nc(-c3ccccc3)n2)-c4c(cc(OCCCCCC)c(c4)Cl)O	8
+c1cc(ccc1OCCCCCC)I	8
+c1ccccc1COc2cc(C(O)(C)CCCCCC)ccc2	5647
+Nc1sc(nn1)CCCCCBr	1087
+CC(C)(C)OC(=O)N1CCC(CC1)c2cccc(NC(CCCCCBr)=O)c2	26
+c1(OC)cc2c(ccnc2c(NC(CCCCCBr)=O)c1)C	308
+C(Br)CCCCC(=O)Nc1ccccc1[N+]([O-])=O	26
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCNC(=O)CCCCCBr	68
+C(Br)CCCCC(=O)Nc1ccccc1O	26
+c1ccccc1-c2c(nc(n2CCCCCCCBr)-c3ccccc3)-c4ccccc4	541
+c1ccccc1CNCCCCCCOCCCCCCc2ccccn2	132
+c1(OC)n(c2nc(nc(N)c2n1)OC(CCC)C)CCCCCCl	637
+c1(OC)n(c2nc(nc(N)c2n1)OCCCC)CCCCCCl	637
+CC(C)CCSCCCCCCl	965
+FC(F)(F)CSc1cc(ccc1C)OCCCCCCl	8
+O=Cc1cn(c2ccc(OC)cc12)CCCCCCl	339
+c1cc(ccc1OCCCCCCl)C#N	8
+c1cc(ccc1SC(c2cc(c(OC)cc2)OC)(CCCCCCl)C#N)C	5648
+O(C(CCc1nc(C#CCCC(OC)=O)ccc1O)=O)C	3407
+c1cc(ccc1-c2c(NC(=O)OC(C)c3c(cccc3)Cl)c(no2)C)C#CCCCCC(O)=O	197
+c1(ccc(cc1Cl)C(CCCC#Cc2cc(c(-n3nc(C)nc3)cc2)OC)=O)Cl	155
+c1(nnn[nH]1)CCC(=O)OC	3408
+C(OC(CC(CCCCCC)(C)O)=O)C	5649
+c1cc(ccc1)Oc2cc(Br)cnc2Nc3nc(CCC(=O)OC)cs3	1102
+c1cc(ccc1Cl)-c2nn(c(C)c2)CC(CCC(=O)OC)=O	5650
+C1COCCC1Nc2c(CNC(=O)CCC(=O)OC)c(nc3c2cnn3CC)CC	9
+c1cc(ccc1-c2ccccc2)COCc3ccc(nc3)NC(=O)CCC(=O)OC	142
+c1cc(ccc1)C(NNC(=O)CCC(OC)=O)=O	708
+CC(C)(C)OC(NCCOCCOCCOCCNC(=O)CCCCC(=O)O)=O	9
+CC(C)(C)OC(NCCCCCCCC(=O)O)=O	37
+c1ccccc1COC(NCCCCCCCC(=O)O)=O	101
+C[Si](C)(C)c1cccc(Cl)c1C(=O)N(CC)C(CCCCCC)C	115
+O=S(=O)(C)OC(CC)CCCCCC	7
+C(CC(CCC=C)OCCCCCCCCCCOc1ccc(cc1)C(OC)=O)C=C	8
+N1(CCCC1=O)CCCNC(CCC(OC)=O)=O	68
+CC(C)(C)c1c(N2CCN(CC2)C(CCC(=O)OC)=O)cccc1	58
+CC(C)c1cc(c(I)cc1Oc2c(N)nc(NC(CCC(OC)=O)=O)nc2)OC	784
+n1c(NC(CCC(OC)=O)=O)sc(c1)C#N	290
+C1(=O)CCC(=O)N1OC(=O)CCC(=O)OC	5651
+c1cc(ccc1C(CCC(OC)=O)=O)-c2c(cc(Cl)cc2)F	94
+c1cc(ccc1Br)C(CCC(OC)=O)=O	94
+c1cc(ccc1)COc2cc(CCCNC(=O)CCC(OC)=O)ccc2	68
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4c5c(nc(n4)NC(=O)CCC(OC)=O)sc(CC)c5)=O	784
+n1cc(cnc1-c2c(c(F)c(cc2)OCC(CCCCCCCC)F)F)-c3ccc(nc3)OCCCCCCCC	20
+C(CCCNc1cccc(C)c1C)(OC)=O	15
+C(CCC(O)C)CCCCC(=O)O	4
+C(OC(CCCC(C(=O)c1sc(cc1)Cl)O)=O)C	3409
+C(c1cnc2c(C)cccc2c1Cl)(CCC)=O	120
+C(c1cnc2c(cccc2c1Cl)C(=O)C)(CCC)=O	120
+C(CCC)(c1c(c2c(nc1)c(OCCOC)ccc2)Nc3ccc(cc3C)F)=O	2430
+CC(C)CC(C)N(CC(CCCC)CC)CCCCCCCCCCCC	61
+c1cc(ccc1N(C(CC(C)C)C)CC(CC)CCCC)OCC	713
+C(CC(CCCC)(CO)COC)CC	76
+CCCCC1(CCCC)c2ccc(cc2C(O)=C(C1=O)C=3NS(=O)(=O)c4cc(I)ccc4N=3)F	5652
+C(CCC)C1(CCCC)CN(c2ccc(cc2S(=O)(=O)C1)O)c3ccc(cc3)N	5
+CC(C)(C)OC(=O)Nc1ccc(cc1)N2c3ccc(cc3S(=O)(=O)CC(CCCC)(CCCC)C2)O	150
+c1cc(ccc1C=O)C#CCCCCCCCC	197
+o1nc(CCCCCCCC)nc1C=Cc2ccc(OC)c(OC)c2	3410
+CC(C)(C)OC(N1C(C(NCCCCCCCC)=O)CCCC1)=O	9
+CC(C)N(C(C)C)c1nc(nc(n1)NCCCCCCCC)N2C(C)(C)CC3(OCCO3)CC2(C)C	387
+S(CCC(C(=O)NCCCCCCCC)OC(=O)C)C	9
+c1cc(ccc1-c2cccc(C(=O)NCCCCCCCC)c2)C=C3C(NC(S3)=O)=O	14
+c1ccccc1C(=O)OCCN2C(CC)(C)C(C3(NC(N(C3=O)CCCCCCCC)=O)CC2(C)CC)C	279
+N#CC(C#N)=C1C(=C(c2ccc(cc2)-c3cn(nn3)CCCCCCCC)C(C)(C)O1)C#N	2352
+CC(C)(C)OC(=O)C(C)(C)Sc1scc(CC(=O)NCCCCCCC)n1	9
+C(CCCCCC)NC(C)=O	68
+c1ccccc1-c2c([nH]c(SCCCCC(NCCCCCCC)=O)n2)-c3ccccc3	9
+C(CCCC)CN(CCCCCC)C(=O)C1Sc2ccccc2-c3[nH]c4c(cccc4)c13	5653
+s1c(NC(C)=O)nc2c(OCCCCCNC(NCCCCC)=O)cccc12	458
+n1(c(C#N)nc2N(C(=O)N(CCCC)C(c12)=O)CCCC)CC=C	5654
+CCCCN(CCCC)C(=O)OCCl	66
+CCCCN(CCCC)C(=O)c1[nH]nc(c1Cl)C	3411
+C[Si](C)(C)CCOCn1c(Br)nc(c1)C(=O)N(CCCC)CCCC	777
+C(CCN(CCCC)C(c1nn(c(c1)C)-c2c(cc([N+](=O)[O-])cc2)C(N3Cc4c(CC3CO)cccc4)=O)=O)C	147
+C(CCN(CCCC)C(c1nn(-c2c(C(=O)N3C(Cc4c(cccc4)C3)CO)cc(Br)cc2)c(C)c1)=O)C	147
+C(CCC)N(CCCC)C(Cn1c2CCCC(=O)c2c3ccc(cc13)OC)=O	10
+CCCCN(CCCC)C(=O)c1ncc2c(n(CCCN3CCCCC3)c(Nc4ccc(cc4)OC)n2)c1	147
+C(CCC)N(CCCC)CCCOc1ccccc1	53
+C[Si](C)(C)C#Cc1c2c(cc(c1F)F)C(=O)C(C(OCC)=O)=CN2c3ccc(F)cc3F	5655
+C1CCCC1N2C(C(=C(C)c3cnc(Nc4ccc(N5CC(C)OC(C)C5)cn4)nc23)C(=C)OCC)=O	5656
+C1CC1CC(C#N)c2ccc(C(=C)OCC)nc2	5657
+C1COCCN1c2cnc3c(cc(Sc4nnc5ccc(cn45)C(OCC)=C)cc3)c2	5658
+CC(C)(C)OC(NC(Cc1ccc(cc1)C(=C)OCC)CCO)=O	3412
+CC(C)n1ncc2c1nc(C(OCC)=C)cc2C(=O)NCc3c(nc(C)cc3C)O	3413
+CC(c1nnc2n1nc(cc2)C(=C)OCC)c3c(cc4ncccc4c3F)F	5659
+CC1(C)C=C(c2c(O1)cc(c(C(C)=O)c2)OC)C(C)C	1271
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(cc(cc2)C(=O)C)C=3CCCCC=3	1271
+C[Si](C)(C)CCOCn1c2c(cc1)c(NC3CCCCC3)c(C(C)=O)cn2	3414
+CCOC(c1c(F)cnc(Cl)n1)=C	3415
+FC(F)(F)c1cc(C(C)=O)ccc1[N+]([O-])=O	1271
+O(c1cccnc1C(OCC)=C)C	3413
+C1(=O)c2c(C(=O)N1C(CC(C)C)COc3cc4N(C(=O)c5c(C)nccc5-c4cc3C(OCC)=C)C)cccc2	3412
+c12c3c(-c4c(C)c([N+]([O-])=O)ccc4)nnc(O)c3[nH]c1cc(cc2)C(=O)C	5660
+c1c(cc2ccc(C(=C)OCC)nc2c1)Br	5661
+c1cc(ccc1C(C)=O)-c2cocn2	1271
+c1cc(ccc1Cl)Nc2c(cc(cn2)C(=O)C)Cl	3414
+c1ccccc1-n2ncc3C(N(c4ccc(cc4)Cl)C(=Nc23)c5ccc(cc5)C(C)=O)=O	1271
+c1ccccc1C(c2c(F)ccc(C(C)=O)c2)O	1271
+C(C)OC(c1cc(Cl)ncn1)=C	3415
+C(C)N(CC)CC=Cc1c(ccc(c1)F)S(=O)(=O)Nc2c(c3c(C4CC4CO3)c(c2)F)C(OC)=O	1511
+C(C)N(CC)CC=Cc1cc(ccc1S(=O)(=O)Nc2c(C(=O)OC)c3ncc4c(cco4)c3cc2)F	1511
+O=S(=O)(c1ccc(cc1C=CCN(CC)CC)F)Nc2c(C(OC)=O)c3c(c4ccnn4cc3)cc2	1511
+O=S(=O)(Nc1c(c2c(n3CCCc3c2)cc1)C(=O)OC)c4ccc(cc4C=CCN(CC)CC)F	1511
+c1(cc2sc(NC(NCC)=O)nc2cc1)-c3nnn[nH]3	2431
+c1c(Cl)c(c(cc1-c2nnn[nH]2)Cl)C(OC)=O	2431
+Clc1ccc2c(nc(C=Cc3cc(ccc3)CN4c5c(cccc5CC4)CCc6nnn[nH]6)cc2)c1	3416
+Clc1ccc2c(nc(C=Cc3cccc(OC(c4[nH]nnn4)C)c3)cc2)c1	5662
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+C(CCCCO)SCC(=O)N(C)CCCC	5691
+OCc1nccc(c1C)SCCCCS	1275
+C(CCSC)N(CCC)C1CCc2c(C1)cccc2O	5
+C(CCSc1[nH]c2cc(C(O)=O)ccc2n1)CSc3c(c(O)c(cc3)C(=O)C)CCC	6
+CC(C)(c1ccc(cc1)F)C=Cc2c(N)nc(nc2C)N	5692
+O=S(=O)(N(C(=O)OC)c1c(C(=O)OC)c2c(cc1)C3CC3CO2)c4c(cc(F)cc4)C=CCO	1511
+c1n(c(nc1)Sc2ccc(cc2Cl)Nc3c4ccc(cc4ncc3C#N)C=CCO)C	5693
+C1COCCC1N(c2cccc(C(=O)OC)c2CC=C)CC	1276
+C12CC3(CC(C1)CC(C3)C2)c4cc5c(ccc(-c6ccc(cc6)C(OC)=O)c5)cc4CC=C	5694
+FC(F)Oc1cc(ccc1C#N)CC=C	1276
+N1(c2c(C(=O)N(c3ccc(nc13)F)C)cc(CC=C)cn2)CC	3427
+N1(c2ncc(cc2C(Nc3c1nc(cc3C)Cl)=O)CC=C)CC	3427
+c1cc(c(cc1CC=C)F)C#N	1276
+c1c(ccc(C#N)c1OC)CC=C	1276
+c1cc(F)c(c(F)c1OCc2nc3cc(ccc3s2)CC=C)C(=O)N	5695
+c12c(CC=C)c(ccc1C=CC(=O)N2C)OC	1276
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(-c5ccnc(c5)C)c6cc(CC=C)c([N+]([O-])=O)cc46	1276
+n1ncc(-c2cc(c(cc2O)Cl)-c3ccccc3F)cc1	3428
+c1(Cl)cc(-c2cnncc2)c(cc1-c3cc(F)ccc3)O	3428
+C1CC1CN2C(Cc3c[nH]c4c3cc(cc4)-c5cncc(C(N)=O)c5)CCC2	5696
+C(CCc1cc2c(cccc2)cc1)c3onc(C(OCC)=O)c3	3429
+C(c1onc(C(O)=O)c1)CCc2cc3c(cccc3)cc2	6
+C[Si](C)(CCCC)CCCOc1ccc(cc1)OC(c2sc(CCCCCCCC)cc2)=O	852
+c1cc(ccc1Br)-c2c(NC(C)CCc3ccccc3Cl)c(no2)C	5697
+c1cc(ccc1S(=O)(=O)NCCCCC(SCC(OCC)=O)CCCc2cccnc2)Cl	71
+C(CCc1cccnc1)C(SCC(=O)OCC)CCCCN	18
+C(CCCC(CCCc1cccnc1)SCC(=O)OCC)O	168
+C1CN(CCC1C=C(c2cccc(OC)c2)c3cccc(OC)c3)CCCCCCCCc4cccnc4	53
+c1ccccc1C(c2ccccc2)=CC3CCN(CC3)CCCCCCCCc4cccnc4	53
+C(CCc1cccnc1)CCCCCCl	221
+s1c(C=O)ccc1CCCCCC	968
+Oc1c(ccc(C=Cc2onc(CCCCCCCC)n2)c1)O	5
+c1cc(c(cc1C(CCc2nnn[nH]2)=NOC)Cl)Cl	189
+c1cc(ccc1OCCC#N)O	72
+C1CN(CCN1CCc2ccc(cc2)Cl)C(c3ccc(cc3)NC(CCCl)=O)=O	26
+CC(C)(C)c1ccc(cc1)C(=O)CCCl	94
+CC1(C)CC(Nc2c1cc(cc2CC)C(CCCl)=O)=O	94
+c1c(ccc(Br)c1Cl)NC(=O)CCCl	26
+C(Cl)CC(Nc1cc([N+]([O-])=O)ccc1)=O	26
+c1c(cc(Cl)c(NC(=O)CCCl)c1)Br	26
+C(CCCl)(Nc1c(cccc1)F)=O	26
+c1ccccc1S(=O)(=O)c2ccc3OCCN(C(=O)CCCl)c3c2	192
+c1cc(ccc1NC(=O)CCCl)Nc2nc(c(cn2)Br)Nc3ccccc3	26
+c1cc(ccc1N2CCOCC2)-c3nc(OCC4CN(CCO4)C(CCCl)=O)c5c(nccn5)c3	58
+c1c2CN(CCOc2ccc1C(CCCl)=O)C=O	94
+C(Cl)CC(=O)NCc1cnccn1	68
+Nc1sc(nn1)CCCl	1087
+O=S(=O)(C)Nc1cc(ccc1Oc2ccccc2)OCCC(=O)O	5698
+c1cc(ccc1)CN(CCCN2N=C(c3cc(c(OC)cc3C2=O)OC)C)CCc4ccc(c(c4)OC)OC	53
+C1CCCC1n2nnc3c(O)nc(nc23)CNCCCl	3430
+C1CN(CCN1C(=O)c2cn(CCN)c3cc(Cl)ccc23)c4c(cccc4)F	1277
+CC(C)(C)OC(NCCCl)=O	37
+c1([N+]([O-])=O)cc(ccc1NCCCl)C(=O)OC	60
+c1c(Cl)cc(cc1Cc2c(CC)nn(CCN)c2CC)Cl	2441
+c1c(cc(Cl)c(NC(NCCCl)=O)c1)Br	282
+c1cc(ccc1C(NCCCl)=O)I	93
+c1cc(ccc1OC)SCCN	1107
+c1ccccc1S(=O)(=O)N2CCN(CC2)c3ccc4oc(cc4c3)C(=O)OC	386
+C1CNCCN1c2c3c([nH]c(C(OC)=O)c3)ccc2	386
+C1CN(CCN1)c2cccc3ccc(OCC4CC4)cc23	386
+CC(C)(C)OC(=O)N(CCCl)CCCl	23
+CC(C)(C)c1c(c(N2CCNCC2)cc(Br)c1)OC	386
+CC(C)(C)c1ccccc1N2CCNCC2	386
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)N2CCNCC2	386
+CC1(C)C(C)(C)CC(c2c(cccc2)N3CCNCC3)=C1	386
+C1CN(CCN1)c2c(c(C)ccc2)C=3CC(C)(C)CC(C)(C)C=3	386
+CC1(C)CC(C)(C)C=C(C1)c2c(N3CCNCC3)cccc2F	386
+C1CNCCN1c2cc(OC)ccc2C=3CCC(C)(C)CC=3	386
+FC(F)(F)COc1ccc(cc1N2CCNCC2)F	386
+c1cc(ccc1N2CCNCC2)CC(C(OCC)=O)(C(OCC)=O)C	386
+c1cc(ccc1N2CCNCC2)C(C(=O)OCC)(C(=O)OCC)C	386
+C1CN(CCN1)c2cccc3n(ccc23)S(=O)(=O)c4c5ccccc5ccc4	386
+C1CN(CCN1)c2c[nH]c3cccnc23	5699
+c1cc(ccc1N2CCNCC2)N3C(=O)c4ccccc4C=C3	386
+c1cc(ccc1Oc2cc(-c3ccccc3)ccc2N4CCNCC4)OC	386
+C1CN(CCN1C)c2nc3N(C=C(C(=O)c3cn2)C(OCC)=O)CCO	5700
+CCC(CC)NC(C=Cc1ccc(cc1)OCCO)=O	72
+O(CCCl)CC(OCC)=O	337
+N#CC(C#N)=C(C)c1cc2ccc(cc2cc1)N(CCOCCO)C	649
+O=S(=O)(c1ccc(cc1)NC(=O)CC2CCN(CC2)CCO)C	53
+c1(cc(ccc1[N+]([O-])=O)OCCO)OC	72
+c1([N+]([O-])=O)cc(Cl)c(NC(=O)OCCCl)cc1	589
+c12cc(cc(OCCCl)c1c(Nc3cc([nH]n3)CC(Nc4cccc(c4)F)=O)ncn2)OC	3431
+c1cc(ccc1OCCO)C(=O)O	72
+c1cc(ccc1OCCN(CCO)CC)C	53
+c1cc(ccc1OCCO)C(c2c[nH]c3c2cccc3)=O	72
+c1ccccc1S(=O)(=O)N(c2cccc(c2)OCCc3ccc(cc3)C#N)CCO	2442
+c1(OCCCl)cccc2ncccc12	1520
+CC(C)(C)OC(=O)N1CC2(CN(C2)C3CCN(CC3)CCOC)C1	53
+c1c([N+]([O-])=O)ccc(OCCOC)c1I	72
+CC(C)N1N=C(Br)c2ccc(SCCSC)cc2C1=O	1107
+c1(C=O)cccc(OCCSC)c1	72
+FC(F)(F)c1cc2scc(N3CCN(CC3)CCC4(CC4)C(=O)NCCCn5ccnc5)c2cc1	9
+C1CCCCC1N2C=C(C(c3cnc(nc23)NCCCn4ccnc4)=O)C(OCC)=O	435
+N12C(COc3c(NCCCn4ccnc4)c(c(N)c(c13)C(=O)C(=C2)c5nnn[nH]5)F)C	60
+c1cc(ccc1[N+](=O)[O-])C(=O)NCCCn2ccnc2	93
+c1ccccc1Nc2c(Cl)cnc(Nc3ccc(cc3)C(NCCCn4ccnc4)=O)n2	14
+c1cc(ccc1C=O)OCCF	72
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)NCCF	238
+c1c(CNCCF)cc2c(CC(=O)OCC)c(ccc2c1)Cl	42
+c1ccccc1COc2c(c(cc(OCc3ccccc3)c2)Oc4ccc(cc4)[N+]([O-])=O)-c5onc(C(=O)NCCF)c5	81
+c1ccccc1-n2nc(cc2OCC(=O)N3C(CCC3)C(NCCF)=O)C(OCC)=O	9
+c1c(F)c(c(c(OCCF)c1)Cl)-c2nc3n(c2Nc4cc5c(OCCO5)cc4)c(OC)ccc3	1891
+C(CF)Oc1ccc(F)c(c1Cl)C=O	151
+C1CCCCC12c3c(cccc3)NC2=O	5701
+CC(C)(C)OC(=O)N1CC(N(C(C1)=O)c2ccc(cc2)OCCCOCc3c(cccc3)OC)CO	116
+c1cc(ccc1[N+]([O-])=O)C=Cc2ccc(N(CC=C)C)c(CC=C)c2	1521
+C(CN(C)c1ccc(C=O)cc1CC=C)=C	151
+C(CC)N(CCC)C1Cc2cc(ccc2C1)C=O	146
+C(CC)N(CCC)CCC(=O)NCCO	248
+CC(C)(C)OC(N1C(C(NCCC#N)=O)CC2CCCCC12)=O	9
+CC(C)(C)OC(NC(C(=O)NCCC#N)Cc1ccc(cc1)-c2cc(Cl)ccc2)=O	9
+C1CCCCC1C(=O)c2cc([N+]([O-])=O)c(NCCC(=O)N)cc2	60
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C2N(CCC(O)=O)C(=O)CS2	5702
+FC(F)(F)c1cc(ccc1)C2=Cc3c(c(ncc3N(Cc4ccccc4)C2=O)C(=O)NCCC(O)=O)O	658
+C(CCNC(=O)CCC(=O)Nc1cccc2c1cccc2)(=O)O	9
+c1ccccc1C2=Cc3c(c(nc(-c4cccnc4)c3N(C(C)c5ccccc5)C2=O)C(=O)NCCC(O)=O)O	658
+c1cc(ccc1)C2=Cc3c(cnc(c3O)C(=O)NCCC(O)=O)N(C2=O)Cc4sccn4	658
+c1cc(ccc1)CCC=2C(=O)N(Cc3ccccc3)c4c(C=2)c(O)c(C(=O)NCCC(O)=O)nc4-c5cnccc5	658
+C1CCCCC1CN2C(C(=Cc3c2c(nc(C(NCCC(O)=O)=O)c3O)-c4ccncc4)c5ccccc5)=O	658
+CC(C)(C)OC(=O)N1C(C(=O)NCCC(=O)OC)CCC1	9
+CC(C)(C)OC(=O)NC1C(C)(C)C(C1)C(=O)NCCC(=O)OC	9
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(C)c3sc(C(NCCC(=O)OC)=O)cc3)C	227
+CC(C)CC(Sc1ccc(cc1)Br)c2ccc(cc2)C(NCCC(=O)OC)=O	14
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(=O)NCCC(=O)OC	14
+O=C(NCCC(OC)=O)c1c([N+]([O-])=O)cc(c(Cl)c1)[N+](=O)[O-]	14
+c1cc(ccc1C(=O)NCCC(=O)OC)C(=O)CCC	14
+c1cc(ccc1C(NCCC(=O)OC)=O)C(Oc2ccc(cc2)Br)CCCCCC	14
+c1cc(ccc1F)-c2cc(no2)C(=O)NCCC(=O)OC	81
+c1ccccc1COc2ccc(cc2)C(NCCC(=O)OC)=O	14
+c1cc(ccc1Oc2cc(ncc2)-c3cc(C(=O)NCCC(=O)OC)sc3)NC(Nc4cc(ccc4F)C)=O	227
+c1(Cl)cc(cc(Cl)c1Oc2cc(C(=O)NCCCCCCCCC)c(OC)cc2)[N+](=O)[O-]	14
+c1cc(ccc1C(c2ccccc2)=CC(NCCCCCCCCCC)=O)[N+]([O-])=O	771
+c1cc(ccc1C2CC2C(NCCCCCCCCCC)=O)[N+](=O)[O-]	9
+c12c(ccnc1cccc2)NCCCCCCCCOc3cc(F)ccc3	105
+C1CC1C(=O)NCCCc2c3CCOc3ccc2Br	68
+c1(nc(nc(C)c1C(OCC)=O)NCCCc2cccc(OC)c2)C	96
+C(CN)Cc1c(ccc2OCCc12)Br	38
+c1ccc2ccc(OC)cc2c1CCCNC(C)=O	68
+CC(C)(C)OC(=O)NCCN(C)CCN	3391
+C1CC(CCN1C)c2nn3c(NCCNc4ncc(cc4)C#N)nc(-c5ccc(cc5Cl)Cl)cc3n2	3432
+Clc1ccc(c(c1)Cl)-c2c3CN(CCc3nc(NCCNc4ccc(C#N)cn4)n2)C(C)=O	435
+CC1=C(C)C(=O)N(C1=O)CCO	3433
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4c5c(ccc4)C(=O)N(C=C5)CCO	1892
+C1CC1NC(=O)c2cc(c(c(c2)N3C=CNC(=NC(C)(C)c4c(SCCNCCO)cccc4)C3=O)C)F	284
+C1CC1c2nc(c(Oc3c(cccc3)OC)c(n2)NS(=O)(=O)c4ncc(cc4)C(C)C)OCCN	145
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(C)c(OCCNCCO)c(CC)c4)c2)OC	285
+C1C(CC1)(NC=2C(N(C=CN=2)c3cc(ccc3C)C(NC4CC4)=O)=O)c5ccccc5OCCNCCO	284
+C1CCCCC1CCCNCCO	110
+C1CN(C(=O)CNCCO)c2ccc(cc2S1)[N+]([O-])=O	402
+C1CN(CCO1)c2c3c(cc(-c4cccc(c4)C(=O)NCCO)s3)nc(n2)-c5cnc(nc5)N	14
+N=1c2ccccc2C(N(C=1CC)CCO)=O	3434
+CC(C)(C)C1CCC(CC1)c2cccc(NC(=O)Cc3ccc(c(OC)c3)OCCNCCO)c2	132
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2nc(NCCO)nc(n2)OC	387
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)C3=NCCO3)=O	5703
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(NCCO)=O)=O	238
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)CNCCO	463
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(NCCO)=O	238
+C1N(CCc2c3C(N(C=Nc3sc12)CCO)=O)C	3435
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(cc(C3CCN(CC3)C(NCCO)=O)cc2)C4=CCCCC4	1893
+c1(NCCO)c(Cl)cc(C(Nc2cc(c(C)cc2)O)=O)cc1	60
+Clc1ccc2c(c(n(c2c1)C)-c3cncc(CNCCO)c3)C#N	249
+FC(F)(C)C(NCCO)=O	271
+FC(F)(F)CCS(=O)(=O)CCCNCCO	284
+FC(F)(F)c1c(F)cc2n(cc(CNCCO)c2c1)C	249
+FC(F)(F)c1nc2c(c(NCCO)c1)cccc2	105
+FC(F)(F)c1cc(ccc1OCCNCCO)F	132
+FC(F)(F)c1ccccc1-c2nc(O)c3cc(ccc3c2)NC(CNCCO)=O	402
+FC(F)(F)c1nc(cs1)-c2c(cccc2)OCCNCCO	132
+FS(F)(F)(F)(F)c1ccc2[nH]cc(CNCCO)c2c1	249
+C(CNc1c(Cl)cc([N+]([O-])=O)c(NCCN)c1)O	205
+O(Cc1cc(N)ccc1Cl)c2cnc(cc2)NCCO	182
+n1c(n(Cc2c(F)cccc2Cl)c3C(N(C(=O)N(c13)C)C)=O)N4CCCC(C(NCCO)=O)C4	9
+c1(NCCO)c(ccc(N2C(=O)C=CC=C2)c1)-n3cnc(CNC(c4sc(cc4)Cl)=O)c3	60
+Fc1c(cccc1)CNCCO	42
+C1CC(CCC1)CC(Nc2c3c(nc(cc3)N4CCC(NCCO)C4)ccc2C)=O	5704
+C(c1c(F)ccc([N+]([O-])=O)c1)(NCCO)=O	14
+N(CCO)c1c([N+]([O-])=O)cccc1Br	205
+N(CCO)c1c(ccc(F)c1Cl)[N+]([O-])=O	60
+c1(cc([N+]([O-])=O)ccc1C(CNCCO)O)Br	284
+c1(F)c(ccc(C(CNCCO)O)c1)Br	122
+c1(cccnc1OCC(C)F)Nc2c3c(c(sc3ncn2)C(NCCO)=O)C	227
+c12C=CN(C(c1ccc(Cl)c2[N+]([O-])=O)=O)CCO	1892
+c12cc[nH]c1ccc(C(NCCO)=O)c2	14
+c1c(c(ccc1)OCCNCCO)Br	132
+c1c(ccc(COC2=C(Br)C(N(C(=C2)C)c3c(C)ccc(C(NCCO)=O)c3)=O)c1F)F	14
+c1(ccc([N+]([O-])=O)c(n1)N)NCCO	70
+c1(C)cc(C(CNCCO)O)ccc1[N+]([O-])=O	122
+c1cc(ccc1)-c2c(c(on2)C)COc3ccc(C(=O)NCCO)nn3	81
+c1cc(ccc1-c2c(n(nc2)CC(NCCO)=O)-c3ccc(cc3)C#N)C#N	271
+c1cc(ccc1C#N)CCCNCCO	132
+c1cc(ccc1OCCNCCO)C#N	132
+c1cc(ccc1C(=O)NCCO)[N+](=O)[O-]	93
+c1cc(ccc1CC2=C(C)C(=O)C(OC)=C(C2=O)OC)CCC(=O)NCCO	9
+c1cc(ccc1[N+]([O-])=O)CCNCCO	132
+c1cc(ccc1COc2cc(OCc3c4c(c(cnc4N)C(NCCO)=O)sc3)ccc2)Cl	2443
+c1cc(ccc1C2CC(CNCCO)CCC2)Cl	110
+c1cc(ccc1-c2cnnc(NCCO)c2)F	232
+c1cc(ccc1I)NCCO	3436
+c1cc(ccc1Nc2sc(C(c3cc([N+](=O)[O-])c(NCCO)cc3)=O)c(N)n2)N4CCN(CC4)C	205
+c1cc(ccc1[N+]([O-])=O)C(O)CNCCO	122
+C(NCC(O)c1ccc(nc1)Cl)CO	122
+OCCNC(=O)c1nc(c2c(c1O)cccc2)Cl	81
+c1ccccc1C(Nc2ccc(c(OCc3c4c(c(cnc4N)C(=O)NCCO)sc3)c2)C)=O	2443
+c1ccccc1COC(=O)NC(CC2CCCCC2)C(=O)NCCO	9
+c1ccccc1COc2cccc(c2)-c3c(NC(=O)CNCCO)cc(cc3)Cl	402
+c1ccccc1COc2c(CNC(=O)NCCO)cccc2	588
+Clc1cnc2nc(NCCO)c(Cl)nc2c1	464
+Nc1c(NCCO)nc(nc1Cl)C	40
+CC(C)(C)OC(=O)NCCOCCN	37
+CC1(C)CC(CCC1O)Nc2c(cnc(NCCc3c4c(n(C)c3)cccc4)n2)C#N	435
+c1(cc(F)c(cc1)F)CCNc2nc(OC)nc(Cl)c2	40
+N(c1c2c(sc(C)c2C)nc(n1)Cl)CCc3cc4c(OCO4)cc3	1108
+CC(NCCc1ccccc1Br)=O	206
+CC(C)C1C(C(NCCc2ccccc2Br)=O)CC(CC1)C	68
+FC(F)(F)C(NCCc1ccccc1Br)=O	659
+C(CCCC=CCN1C(=O)CCCC1C=CC(=O)CCCCC)(OC)=O	2444
+C(CN1C(=O)CCCC1C=CC(=O)CCCCC)#CCCCC(OC)=O	1278
+C(CN1C(=O)CCCC1C=O)#CCCCC(OC)=O	24
+c12nc(Cl)n(c1cccc2)CCOCC	1088
+COc1cc2OC(C3=C(CCN(CC(C)NCC)C3)c2cc1)=O	87
+N1(CCCC1=O)CCn2ncc([N+]([O-])=O)c2	2441
+CC(C)(C)c1nc(c(-c2ccnc(NCCN3C(=O)CCC3)n2)s1)-c4c(c(ccc4)NS(=O)(=O)c5c(F)ccc(c5)F)F	96
+c12c(cccc1NCCN3CCCC3CO)C(c4c(cccc4)C2=O)=O	205
+C1CN(CCO1)C(=O)c2ccc(s2)-c3nc(ncc3)NCCN4C(=O)NCC4	435
+C1CN(CCO1)c2ccccc2OCC(=O)NCC(O)CN3Cc4c(cccc4)CC3	271
+CC(C)(C)OC(N1CCC(CC1)n2ncc3cc(ccc23)OCC(NCC(O)CN4Cc5c(cccc5)CC4)=O)=O	271
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)O)ccn2)=O	14
+C(C(CNC(c1cccc([N+](=O)[O-])c1C)=O)O)N2CCc3ccccc3C2	14
+C(C(CNC(=O)c1cc(ccc1)Br)O)N2CCc3ccccc3C2	14
+C(C(O)CNC(=O)COc1cc(NC(=O)C)ccc1)N2CCc3ccccc3C2	9
+C1CC1COc2cc3cc(c(NCCNC(C)=O)nc3cc2)C=O	554
+c12ncc(CCc3c(C)cc(cc3)C(NCCNC(C)=O)=O)cc1c4ccc(C)cc4nc2N	93
+c1cc(ccc1)-c2nc(cc(Cl)n2)NCCNC(C)=O	40
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C(=O)NC(CCCNC(=O)N)C(=O)O	2445
+C1CC2(CCN1C(=O)c3cc(NC(=O)NCCC(=O)OCC)ccc3)CNC(=NC(c4nc(c(nc4N)N)Cl)=O)N2	30
+FC(F)(F)c1ccc(cc1)-c2c(cc(cc2)C(CCCCCC)Oc3c(cc(C(=O)NCCC(OCC)=O)cc3)F)C	20
+Fc1ccc(C#Cc2cc(C#N)cnc2)cc1CN(CCC#N)C	48
+FC(F)(F)C(=O)NCCNC	605
+c1cc(ccc1C=2N(C)CCN=2)N	5705
+c1ccccc1C(c2ccccc2)N(CCNC)C	1109
+c1cc(ccc1CN(CCNC)C)-c2cc(C)cc(-n3c(C)ccc3C)n2	48
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(nc5ccc4Cl)N6CCC(NCCC#N)C6	286
+C1CC(CCC1)CC(=O)Nc2c(ccc3nc(N4CCC(NCCC#N)C4)ccc23)Cl	286
+[nH]1c2cccc3C4=CC(CN(C)C4Cc(c23)c1)C(N(CC)CCC(OCC)=O)=O	3437
+C(CBr)N(CCBr)C(=O)OCC	66
+c1cc(ccc1N2CCNCC2)NC(=O)CCBr	765
+C(CC)N(CCC)C(=O)CC(C)=O	5706
+C(CN(CCC)CCC(=O)OC)C	3438
+CC(C)(C)OC(NC1=Nc2cc(Br)ccc2C=C(C(=O)N(CCC)CCC)C1)=O	3439
+FC(F)(F)c1cccc(CNC(=O)c2ccnc(-c3cc(ccc3[N+]([O-])=O)N(CCC)CCC)c2)c1	34
+C(CC)N(CCC)CCOCCc1ccc2c(ccs2)c1	123
+C(CC)N(CCC)CCCCc1c(OCCc2ccccc2)ccc(c1)Cl	53
+C(CN(CCC)CCCc1cc(ccc1OCCc2ccccc2)Cl)C	53
+C(CN(CCC)Cc1nc(sc1)-c2ncn3-c4c(c(c(cc4)F)Cl)C(N(Cc23)C)=O)C	2446
+C(CN(CCC)Cc1nc(-c2c3CN(C(c4c(c(ccc4-n3cn2)F)Cl)=O)C)no1)C	960
+C(CC)N(CCC)Cc1nc(sc1)-c2ncn3-c4c(C(=O)N(Cc23)C)cccc4	2446
+C(N(CCC=O)CCC)(Nc1nnc(SC)s1)=O	1110
+C(CCO)N(CCCn1c2c3c(cccc3)nc(N)c2nc1CCCC)Cc4cccc(CC(OC)=O)c4	131
+C1CC(CCC1COCCCCN(CCO)CCO)CN(C)C(Oc2ccc(cc2)Cl)=O	28
+C(CO)N(CCO)c1ccc([N+]([O-])=O)cc1C(NCCOC2CCCCO2)=O	34
+CC1(C)CC(CC(C)(C)N1O)OCC(O)CN(CCO)CCO	170
+CC1(C)CC2(OCCO2)CC(C)(C)N1c3nc(N(CCO)CCO)nc(n3)N4CCOCC4	436
+C(CO)N(CCO)c1c(cc(cc1F)C#N)F	34
+C(O)CN(CCO)CCCCc1ccc2c(nsc2c1)-c3ccc(cc3)Cl	123
+C(O)CN(CCO)CCCCOc1ccc(cc1)[N+]([O-])=O	28
+c1ccccc1SCCCN(CCO)CCO	53
+n1c2c(nn1-c3c(O)ccc(c3)CN(CCO)CCO)cccc2	131
+c1c2c(ccc1OCCCN(CCO)CCOC)c(Nc3cc([nH]n3)CC(Nc4cccc(c4)F)=O)ncn2	53
+CC(C)(C)OC(N(CCn1cnc(I)c1)CCOC)=O	23
+C(CNc1ccc(CC(=O)O)c(F)c1)CCCCCCCCCCCCCC	3
+CC(C)(C)[Si](C)(C)OCCNc1c2c(cccn2)ccc1	19
+FC(F)(F)c1ccc(cc1)C(=O)COC(=O)C(Oc2ccc(c(C(N)=O)c2F)F)CO	1231
+c1c(c(cc(c1Br)C#N)[N+]([O-])=O)N(C)C(C)CO	34
+c12c(cc(cc1)Nc3c4c(cccc4ncn3)OCC(NC)C)ccn2Cc5ncccc5	1111
+CC(C)(C)[Si](C)(C)OCCC(C)(C)CCO	19
+CC(C)(C)[Si](C)(C)OCCOCCC(C)(C)CCO	176
+c1cc(ccc1)[Si](c2ccccc2)(OCCC3(CCCCC3)CCO)C(C)(C)C	328
+CC1(C)OCC(O1)CCCO	1522
+CC(C)(C)c1c(O)c(c(c(C)c1)CC(=O)OCCCCCCCCCCCCCCCCCC)C	456
+C(c1cccc(F)c1)CC=O	24
+Nc1cc2c(cc1)N(CCC2)CCCN(CCO)C	0
+C(CO)N(CCO)c1c(F)cc(cc1F)C(=O)O	329
+c1(nc2c(s1)cccc2)Oc3ccc4c(CCO)coc4c3	1523
+CC(C)(C)[Si](C)(C)OC(Cc1ccc(s1)CCO)=O	5707
+C(COC(CCSc1n(-c2c(F)ccc(c2)F)nc(C(=O)OCC)c1)=O)(CCCC)CC	5708
+C(COC(CCSc1ccc2c(ccc3nnc(-c4ncccc4)n23)c1)=O)(CCCC)CC	1524
+C(COC(=O)OCI)NC(C)=O	5709
+c1cc(ccc1C(C2=C(C)NC(=C(C(=O)OCCC)C2c3c4OC(=CC(=O)c4ccc3)C)C)=O)F	5710
+C1COCCC1(C#N)c2nc(ccc2)Sc3cc4c(cc3)n5c(-c6ncccc6)nnc5cc4	5711
+C(COC(c1cncc(N)c1)=NC#N)C	5712
+C(CO[N+]([O-])=O)NC(=NC#N)c1cncc(N)c1	5713
+C1COCCN1c2c(F)cc(NN=C(C(=O)COC)C(=O)OC)c(c2)F	1894
+FC(F)(F)c1cccc(NN=C(C(=O)OC)C(COC)=O)c1	1894
+FC(F)Oc1c(cccc1)NN=C(C(=O)OC)C(=O)COC	1894
+O=C(C(=NNc1c(F)cc(cc1)I)C(COC)=O)OC	1894
+C(COC)(=O)Nc1cc(ccn1)Oc2c3c(c(cc2)N)cccc3	0
+CC(C)(C)OC(=O)N(CCOCCn1c2c(nc1CCOC)cnc3c2cccc3)C	546
+CC(C)(C)OC(=O)NCCCCn1c2c3c(cc(cc3)OCc4ccccc4)ncc2nc1CCOC	546
+CC(C)(C)c1cc(n(n1)-c2ccc(cc2)NC(CCOC)=O)NC(=O)Nc3ccc(cc3)Oc4ccncc4	26
+c1ccccc1COc2cc3c4c(cnc3cc2)nc(CCOC)n4C	546
+CN(C)CCCNC(CCOC)=O	5714
+C1N(c2nc3c(ncnc3cc2)N)CCCC1NC(=O)CCOC	9
+C1CC(CCC1C(=O)NCc2nccnc2Cl)NCCOC	87
+C1CC1NC(=O)Nc2c(Cl)cc(cc2)Oc3c4c(cc(c(C(=O)NCCOC)c4)OCCOC)ncc3	14
+C1CCCC1Oc2cc(c(F)cc2Cl)NC(=O)C=3CCCCC=3C(NCCOC)=O	3440
+C1CCN(C1)S(=O)(=O)c2c(c(cc(c2)C(=O)O)Br)NCCOC	60
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4c(nn(-c5c(F)cccc5C=NCCOC)c4)C	853
+C1COCCC1c2c3sc(NC(c4cc(ncc4)CNCCOC)=O)nc3c(OC)cc2	1279
+C1COCCN1c2cc(nc(n2)Cl)CNCCOC	294
+N1(CCC(CC1=O)NCCOC)C	5715
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3oc4NC(N(C)C(=O)c4c3-c5ccccc5)=NCCOC	5716
+c1cc(ccc1F)Cc2cnc3c(N(CCCP(OCC)(OCC)=O)C(=O)C(C(NCCOC)=O)=C3O)c2	1112
+FC(F)(F)c1nc(NCCOC)c(cc1)C=CC(NCc2cc(c(NS(=O)(=O)C)c(c2)C#C)F)=O	70
+Nc1ncc(C#N)c(NCCOC)c1	3441
+CC(C)n1c(ncc1-c2ccnc(Nc3ccc(cc3)S(=O)(=O)NCCOC)n2)C=O	3442
+c1c(Cl)c(c(cc1CCNC(C(c2ccc(cc2)O)O)C)Cl)NCC(=O)NCCOC	271
+c12CN(C(=O)c1cccc2[N+]([O-])=O)CCOC	854
+c12c(nc(nc1)NCCOC)nc(C)cc2	785
+c1cc(ccc1Oc2c([N+](=O)[O-])cc(cc2)Cl)C(=O)NCCOC	93
+O=S(=O)(c1cc2OC(CNCCOC)COc2c(c1)F)C	463
+c1cc(ccc1)CCCOc2cc(C(=O)NCC)ccc2-n3cc(C(=O)NCCOC)nn3	312
+c1ccccc1COC(=O)CN2C(=O)c3c(ccc(c3)N(CCNCCOC)S(=O)(=O)C)C2=O	132
+c1ccccc1Cn2c3nc(NCCOC)nc(N)c3nc2	96
+c1n2nccc2nc(c1)NCCOC	2447
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ccc(CNCCOC)cn4	249
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4n(c(cn4)CNCCOC)C	5717
+C1CN(CCO1)CCOc2c(cc3c(c2)c(c(cn3)C#N)Nc4c(cc(Cl)c(OC)c4)Cl)OCCOC	724
+CC(C)(C)c1nn(-c2ccc(cc2)COCCOC)c(NC(=O)Nc3c(F)cc(Oc4cc(ncc4)C)cc3)c1	5718
+CC(C)NC(=O)C1CCC(CC1)Nc2cc(ncc2[N+](=O)[O-])OCCOC	91
+O(C)CCOc1ccnc(Cl)c1	1895
+FC(F)(F)C1CCC(CC1)NC(=O)c2ccc(Cl)nc2OCCOC	91
+FC(F)(F)Oc1ccc(cc1)NC(c2cc(Br)c(nc2)OCCOC)=O	91
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3nc(cs3)C4=NOC(c5c(COCCOC)cccc5)C4	555
+O=Cc1ccc(OCCOC)cc1O	20
+c1(c(F)c(c(c(OC)c1)F)N2C(C3(CC3)c4c(cnc(c4)-c5c([N+](=O)[O-])cnn5CCOC)C2)=O)OC	2426
+c1cc(C(=O)O)cc([N+]([O-])=O)c1OCCOC	57
+c12c(O)c(C#N)cnc1cc(OCCOC)c(OC)c2	724
+c12c3c(ccc1cccn2)c(cc(C)n3)OCCOC	260
+c1(cc(ccc1F)Br)COCCOC	149
+c1cc(ncc1Br)OCCOC	5719
+O(CC)P(OCC)(=O)Cc1ccc(cc1)Cn2cnc3c(N)nc(nc23)OCCOC	482
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2)C)OCCOC	57
+c1ccccc1COc2cc(OCCOC)ccc2C=CC(=O)OCC	126
+c1ccn(c1)-c2cc(c(cc2OCCOC)N)[N+](=O)[O-]	556
+O=S(=O)(NC(c1ccc2n(c(-c3ccc4n(c5c(cccc5)c4c3)CC)nc2c1)CCOC)=O)C	258
+C1C(NC(c2nc(Cl)c(CC)[nH]2)=O)C(OCCC)CN(C1)c3cccc(c3)C(=O)OC	855
+c1cc(ccc1)COC(=O)c2cccc(c2)C#CCOCCOCCOCCOCCO	121
+C(COCC(=O)NCCOCCOCCOCCN)(=O)O	18
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(OCCOCC)=O	47
+C(COCCC#N)OCC	5720
+c1(cc(cc(C)c1-c2cc(COc3ccc(cc3)CCC(=O)OC)ccc2)OCCOCC)C	20
+n1(Cc2cccc(n2)COCCOCC)nnc3c(-c4oc(cc4)C)nc(N)nc13	1896
+C(COCCC(=N)NO)OCC	409
+C(OCCCl)CC(Cl)=O	130
+FC(F)(F)c1c(N)c(Cl)cc(N2CCOCC2)c1	386
+c1cc(ccc1)COc2cc(F)cc(C3(CCOCC3)C(=O)OCC)c2	5721
+C1COCCN1c2ccc(cc2)Nc3ncn(-c4ccnc(N5CC(C)N(C(C5)C)C(=O)C)c4)n3	386
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5c4cc(c(OCCOCCCl)c5)OC)C)C	72
+FC(F)(F)c1cc(ccc1C#N)N2C(N(CCCC(=O)NCCOCCOCC)C(C)(C)C2=O)=S	9
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCOCC(=O)N	83
+CC(C)(Br)C(=O)OCCOCCOCCN=[N+]=[N-]	5722
+O=S(=O)(OCCOCCOCCN=[N+]=[N-])C	7
+O(CC#C)CCOCCN	18
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCC#C)C	36
+C(OCC(=O)O)COCCNC(COCCOCCNC(CCCCCCCCCCCNC(=O)CI)=O)=O	1280
+c1ccccc1COCCOCCOCCOCCOCCOCCO	555
+c1ccccc1COCCOCCOCCOCCOCCOCCO	149
+C1C(CN1C(=O)CCOCCc2ccc3c(ccs3)c2)O	10
+c1cccc(C=Cc2cccn2CCOCCOCC)c1Cl	3443
+CC(C)(C)[Si](C)(C)OCCOCc1nccs1	19
+OC12C(C(CC=NOCCN)CC1)(C)CCC3C2CCC4C3(CCC(O)C4)C	410
+C(c1ccc2ncccc2c1)n3nnc4c3nc(C(=NOCCO)C)cn4	5723
+COCC#Cc1cc(F)c(Nc2c(F)c(ccc2C(=O)NOCCO)F)cc1	514
+c1cc(c(F)c(Nc2c(F)cc(cc2)C#CCOC3OCCCC3)c1C(=O)NOCCO)F	514
+C(CON=C(C(OCC)=O)C(=O)CCl)OCC	969
+C(CON=C(c1nc(sc1)NC=O)C(=O)OCC)OCC	1274
+N(C=O)c1scc(C(C(O)=O)=NOCCOCC)n1	3
+C(CO[N+]([O-])=O)NC(=NC#N)c1cncc(NC(C)=O)c1	308
+c1c(c(c(Cl)cc1)OCCC)CCN	5724
+C(OC)COc1ccc(CCl)cc1OCCOC	109
+C(COc1c(ccc(c1)OC)Br)C	65
+C(COc1cc(OC)ccc1C#N)C	160
+C(COc1c2c(ccc1)ccnc2Cl)C	174
+CC(C)(C)OC(=O)N(C)CC(COc1ccc(F)c(c1)Br)O	23
+C(COc1ccc(c(c1)O)C)C	606
+O=S(=O)(c1ncnc(c1)OCC#CC)C	3444
+c1c(C(OCC)=O)cc(c(Br)c1OCC)OCCC	116
+c1cc(ccc1C)S(=O)(=O)Nc2ccc(Oc3cc(c(cc3)[N+](=O)[O-])OCCC)cc2C(OC)=O	46
+O(C(CCCOc1ccc2nc(cc(c2c1)OCCCOc3c(nc(N)nc3N)CC)C)=O)CC	2448
+c1cc(ccc1N=Nc2cc(c(cc2C)N)OCC(CCCC)CC)CCCC	725
+C(COc1cc(N)c(C)cc1)C	0
+C(COc1ccc(C)cc1N)(CCCC)CC	0
+c1c2ncccc2ccc1OCCCNCC3Oc4c(OC3)ccc(c4)O	5
+c1c(C(=O)O)cccc1OCC(Nc2cccc(C#N)c2)=O	1
+C1(c2c(C(=O)N1CC(O)COc3cccc(C=O)c3)cccc2)=O	851
+C(Oc1cccc(N)c1)CN	15
+O=S(=O)(c1ccccc1)N2CCN(CC2)CCOc3cc(Nc4c5c(nc(C)c4)cccc5)ccc3	53
+C(COc1cccc2cc[n+](cc12)[O-])C	103
+C(COc1c2c(ccc1)cc[n+]([O-])c2Cl)C	375
+C1CCC(C1)NCCCOc2ccccc2NC(=O)c3cccc4[nH]ccc34	132
+S(Cc1nccc(OCCO)c1C)c2[nH]c3c(ccc(OC)c3)n2	602
+CC(C)(C)[Si](C)(C)OCCOc1c([N+](=O)[O-])c(cc(Cl)n1)N	19
+OP(O)(=O)COCCOn1c2c(nc1)c(ncn2)N	228
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(SCCC(OC)=O)cc3Oc4ccccc4)sc2	3445
+c1(c2[nH]c(C(=O)NC3Cc4ccccc4C3CSCCC(OC)=O)cc2sc1Cl)Cl	786
+c1ccccc1COc2c(cccc2CC(O)CSCCC(=O)OC)C3CCCC3	5725
+CC(C)(C)OC(=O)NC(C(=O)NCCS)C(C)C	5726
+CCOc1cccnc1CSCCN	3446
+CN(C)Cc1nc(CSCCN)ccc1	5727
+c12cc(C)ccc1N(CCCCCC)C(C(C3NCCS3)=C2OC)=O	5728
+c1cc(ccc1C2=NCCS2)CNS(=O)(=O)c3ccc(cc3)F	5729
+C12CC3(CC(C1)CC(C3)C2)CNC(c4c(Cl)ccc(c4)NCCNCCSC)=O	284
+CSCC(=O)NCCSC	9
+CC(C)(C)OC(n1c2ccc(cc2cc1C(=O)OCC)OCCSC)=O	20
+S(CCOc1c([N+]([O-])=O)cccc1)C	57
+c1nc(ncc1OCCSC)NC(=O)CCCCC	1897
+O=S(=O)(CCCl)CCC(NCCSC=C)=O	68
+c1(Nc2nccc(CSCCO)c2)cc(c(cn1)F)-c3c(OC)cc(cc3)F	346
+n1c(ncc(CC2=CC(=O)N(CCCC)C=C2)c1O)NCCSCc3nc[nH]c3C	1898
+N#CC(C#N)=C(NCCSCc1c([nH]cn1)C)SC	5730
+n1c(ncc(c1O)Cc2ccc(nc2)OC)NCCSCc3nc[nH]c3C	1898
+n1c(ncc(c1O)Cc2cc(ccc2)OC)NCCSCc3nccs3	1898
+C(CSc1ccnc(CSc2nc3ccccc3[nH]2)c1C)CCSCCn4c(cnc4C)[N+]([O-])=O	602
+C(CSc1c(c(ncc1)CCl)C)CCSCCn2c(cnc2C)[N+]([O-])=O	515
+c1ccc(cc1OCC)CCN	157
+c1cc2c(cc1CCN)NC(=O)C(C)O2	157
+C[Si](C)(C)OC(CCCC)(CC=C[Sn](CCCC)(CCCC)CCCC)C(F)F	2449
+C(CC[Sn](CCCC)(CCCC)C=CCC(C)(CCOC)O[Si](C)(C)C)C	2449
+C(CC)C[Sn](CCCC)(CCCC)C=CCC(CF)(CCCC)O[Si](C)(C)C	2449
+CCCC[Sn](CCCC)(CCCC)c1nccc(Cl)n1	5731
+c1(cccc(C)c1CNc2cc(Cl)nc(C#CC)c2[N+]([O-])=O)C	5732
+CCCC[Sn](CCCC)(CCCC)c1sccc1P(OCC)(OCC)=O	2450
+CCCC[Sn](CCCC)(CCCC)c1nccc(c1)OCC2CC2	3447
+C(C)CC[Sn](CCCC)(CCCC)c1sc(nc1)C2(CCC2)OCOC	5733
+CCCC[Sn](CCCC)(CCCC)c1sc(cc1)C2OCCO2	2450
+C(C[Sn](CCCC)(CCCC)c1oc(nc1)C(C2CCc3cc(ccc3C2)-c4ccccc4)O[Si](C)(C)C(C)(C)C)CC	5734
+CCCC[Sn](CCCC)(CCCC)c1nc(ccc1)OC(C)C	3447
+C(CC)C[Sn](CCCC)(CCCC)SCC	3448
+C(C[Sn](CCCC)(CCCC)c1c2ccc(cc2n(n1)C)Cl)CC	5735
+CCCC[Sn](CCCC)(CCCC)c1cn(-c2nc(C(F)(F)F)cc(-c3cc(Cl)c(Cl)cc3)n2)cn1	5736
+CCCC[Sn](CCCC)(CCCC)SC	3448
+C(CCC)[Sn](CCCC)(CCCC)c1cccnc1F	5737
+CCCC[Sn](CCCC)(CCCC)c1sc2ccccc2n1	5738
+C(C)CC[Sn](CCCC)(CCCC)c1ccc(F)cc1C#N	5739
+CCCC[Sn](CCCC)(CCCC)c1ccc(-c2ccc(cc2)OC)s1	2450
+C[Si](C)(C)CCOCn1cc(c2nc(-c3c4c(n(C)n3)cc(cc4)Cl)cnc12)C=O	5740
+FC(F)(F)c1nn(-c2cnc(cc2)S(=O)(=O)N)c(-c3ccc(cc3)-c4cscn4)c1Cl	5741
+CC(C)(C)[Si](C)(C)OC(C1Cc2ccc(Oc3ccccc3)cc2CC1)c4ncc(-c5nc(C(=O)OC)ccc5)o4	3449
+CC(C)(C)[Si](C)(C)OC(C1Cc2ccc(cc2CC1)-c3ccccc3)c4oc(-c5ncccc5)cn4	3449
+c1c(OC(Cc2c(C)ccc3c2cccc3)C)c([N+]([O-])=O)ccc1	57
+C(Cc1cc(N)ccc1Cl)(OCC)=O	0
+Clc1cccc(Cn2c(c(CC(OCC)=O)c3cc(OC)ccc23)CC)c1	962
+n1c2c(ccc1Cc3c4cc(C#N)ccn4c(c3C)CC(=O)O)cc(cc2)F	3
+CN(C)C=C(C(=O)OCC)c1ccc(cc1OC)C#N	5742
+n1ccc2n1c(Cl)c(c(n2)Cl)CC=O	465
+n1ccc2n1c(Cl)c(CCCO)c(n2)Cl	347
+c1(C=O)ccc2c(ccc(Cl)c2CC(OCC)=O)c1	3450
+c1cc(ccc1F)S(=O)(=O)c2c(cccc2)Cn3c(C)c(c4ccc(F)cc34)CC(=O)OCC	190
+c1c(OC)ccc2c(CCO)coc12	44
+c1c(c(ccc1C)[N+]([O-])=O)CC(=O)O	3
+c1(Cl)cc(CC(OCC)=O)c(cc1O)C	5
+CC(C)(C#N)c1cc(OC)c(OC)cc1	2451
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c3cc(CCC)cc(CCC)c3	92
+O(CC)c1cc(c(cc1)[N+]([O-])=O)CC(=O)OCC	57
+CC(C)(C)OC(=O)NC(C(N1CCN(CC1CC)C(Cc2ccc3ccccc3c2)C(OC)=O)=O)Cc4ccc(cc4)Cl	10
+O=C(Cc1cc(c(-c2ccc(cc2F)F)cc1)F)Cl	130
+CC(C)(C)C(NC(Cc1ccc(C)c(F)c1)=O)n2c3ccccc3nn2	5743
+CC(C)(C)OC(=O)Nc1ccc(nc1)CC(OCC)=O	970
+COc1ccc(c([N+]([O-])=O)c1)CC(=O)O	3
+C(Cc1ccc(N)cn1)(OCC)=O	13
+C(c1cccc(n1)N)CO	44
+C(c1cccc(n1)N)CS	1113
+CC(C)(C)OC(=O)N(CCc1ccccc1Cl)CCCSCCO	23
+O=S(=O)(c1ccc(cc1)F)NCCc2n(ccc2)C	71
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CCCCNC(CCc4cnccc4)=O	248
+c1cc(ccc1NCCc2cnccc2)[N+](=O)[O-]	60
+C(Cc1c(c(c2cc(C#N)ccn12)Cc3nc4c(cc3)cc(cc4)F)C)(OCC)=O	5744
+C(c1nc(Cl)ccc1)CO	44
+n1c(NC)cccc1CCO	44
+C(OC(=O)CNCCCc1nc(ccc1)Br)C	5745
+COc1nc(CCO)ccc1	44
+c1cc(ccc1CC(NCCN(C)C)=O)NC(=O)CCc2onc(n2)-c3cc4c(cccc4)cc3	33
+C(CCC)c1nc(nn1Cc2ccc(Br)nc2)CCCC	5746
+CCCCCCCCCCCCc1ccc(C(O)=O)s1	3451
+C1CCc2ccc(cc2-c3nc(NC(CCCCBr)=O)sc13)F	290
+c1ccccc1CNC(c2sc(NC(CCCCBr)=O)nc2C)=O	290
+c1(c[nH]c2c1cc(cc2)NC(CCCCC)=O)Cc3c(cc(cc3)C(=O)OC)OC	26
+c1cc(ccc1NC(CCCCC)=O)C(=O)OC	26
+c1ccccc1C2C(N(C(=O)CCCCC)C(O2)=O)C	1840
+C(c1sccc1)(CCCCC)=O	1808
+c1nc(ncc1OC)NC(=O)CCCCC	784
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(CCCCCl)=O	3308
+c1c2CCOc2ccc1C(CCCCCl)=O	94
+CC(C)C(NC(CCCCCl)=O)C(=O)OC	726
+o1c2c(c(c1C(CCCCCl)=O)C)cc(OC)cc2	5747
+C(CCCCCl)(c1cc(Cl)c(NC(C)=O)cc1OC)=O	94
+c1c([N+]([O-])=O)cc(NC(CCCCCl)=O)cc1C(=O)OC	26
+c1cc(ccc1C(OC)=O)-c2c(cc(NC(CCCCCl)=O)cc2)C	26
+c1ccccc1C(CCCCCl)=O	94
+O=C(NNc1ccc(cn1)F)N2C(C)CCCC2	2452
+n1n(c(C(N)=O)c(NC(c2ccccc2OCC=C)=O)c1CCC)C	3452
+S1c2cccc(c2C(c3c1ccc(C)c3)=O)C(=O)OCCCCCCCCCCCC	279
+CC(C)Oc1ccc(cc1)-c2ccc3oc(-c4cc(ccc4Cl)[N+](=O)[O-])nc3c2	2453
+CC(C)NC(=O)CNC(=O)c1cc(ccc1[N+]([O-])=O)F	5748
+C1CN(CCC1(CNC(c2ccccc2OC)=O)c3ccccc3)Cc4ccccc4	93
+c1(-c2ccccc2OC)nc3ccc(cc3c(O)n1)F	5749
+NC(c1sccc1NC(c2ccccc2OC)=O)=O	3453
+c1c(cccc1Nc2nc(ccn2)-c3c(-c4cc(NC(c5ccccc5OC)=O)ccc4)nn6ccccc36)F	50
+c1cnc(C(=O)c2ccccc2OC)n1CC(c3ccc(c(c3)Cl)Cl)CCOC4OCCCC4	5750
+c1c(CCC)c(c(C(N)=O)nc1)NC(c2ccccc2OCC)=O	660
+NC(=O)c1c(C)nn(CCC)c1NC(c2ccccc2OCCC)=O	330
+c1cc(ccc1C#N)CC(NC2CCN(CC2)C(CO)C)=O	3357
+c1(Cl)c(C(Nc2c(cc(C)cc2)O)=O)cc(Cl)s1	1899
+c1cc(ccc1OC)C(=O)c2c(Cl)c(C)ccc2	222
+n1cnsc1-c2nnc3CN(C(=O)c4c(c(Cl)c(F)cc4)C)CCn23	115
+c1(c(cccn1)C(=O)N)Nc2cc([N+]([O-])=O)ccc2	3454
+CC(C)(C)[Si](C)(C)OCc1ccc2c(nc(CN(C(=O)c3c(ccc(F)c3)F)CCC)n2CCC)c1	115
+COc1nccc(c1)NC(c2cc(ccc2F)F)=O	50
+C12CC3CC(C1)CC(C2)(C3)NC(=O)c4c(Cl)nc(cc4)Cl	1281
+FC(F)(F)C1CCC(CC1)NC(c2ccc(nc2Cl)Cl)=O	1281
+c1cc(c(Cl)nc1Cl)C(N(OC)C)=O	5751
+c1cc(ccc1C(N2Cc3ccnn3Cc4ccccc24)=O)NC(=O)c5c(c(F)ccc5)C	50
+N=1NC(=O)N(c2cccc(I)c2C)N=1	5752
+O=S(=O)(Nc1ccc(c(c1Cl)NC(c2c3c(c(Cl)ncn3)ccc2)=O)Cl)CCC	971
+O=S(=O)(CCC)Nc1c(F)c(NC(c2cccc3c2ncnc3Cl)=O)c(cc1)F	971
+C1CN(CCN1C(CCl)=O)C2CCC2	1227
+c1cc2c(cc1)N(CC3CCCCCN23)CC(N)=O	5753
+CC1(C)OCc2c(c3c(c(C(=O)N)sc3nc2N4CCCC4)N)C1	3455
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc3oc(C(=O)N)cc3c2	5754
+C(COc1cccc(N)c1)(N)=O	648
+c1ccccc1-c2c(c3c(nn(c3nn2)CC(=O)N4CCC(F)C4)I)Cl	3456
+[O-][N+](c1cc2nc(sc2cc1)SCC(N3CCCc4ccccc34)=O)=O	5755
+O=S(=O)(c1ccc2CCC(Oc2c1)CNCC(=O)NC)c3cc(ccc3)F	402
+c1(ccc(C(=O)NCc2c(OCC(=O)NC)cc(cc2)C#N)cc1C)F	648
+ClC(Cl)=C(Cl)c1cc(O)c(cc1)CNC(=O)CCl	3457
+c1cc(ccc1Cl)C(c2cn(c(C(=O)CCl)c2)C)=O	787
+CC(C)(C)c1cc2OC3(CCCCCC3)Cc2cc1OCC(=C)C	1282
+CC(C)C(O)(CC(C)=C)CCNC(c1ccc(cc1)Br)C	5756
+C(Oc1cccc(OC)c1I)C(=C)C	1282
+O(CC(=C)C)c1c(NC(C)=O)cccc1	1282
+O(CC(=C)C)c1c(C)c(C)c2c(c1)CCN2C=O	1282
+C1CCCC1C(C(OC)=O)c2ccc(cc2)OCC(=C)C	1282
+CC(C)(C)N1CC(C1)OCc2ccccc2	5757
+n1n(cc([N+]([O-])=O)c1)CC(NC(C)CO)=O	1114
+c1(c2cccnc2[nH]c1)CCCl	1283
+C1CC(CCN1CC(=O)c2ccc(c(F)c2)O)(O)c3ccc4CCOCc4c3	1498
+c1ccccc1COc2c(F)cc(C(=O)CCl)cc2	22
+n1ccncc1C(CCl)O	3458
+c12ccc(c(c1occ2CC(=O)O)Cl)O	5758
+c1ccccc1COc2ccc3c(c2)OC(C=C3CCl)=O	22
+c1nc(n2c1cncc2)CCCl	856
+CN(C)CCC(=O)Nc1cccc([N+]([O-])=O)c1	2454
+CC(C)(COC)C1N2C(=CC(C(C(OCC)=O)=C2)=O)c3cc(c(cc3C1)OCCC4CCCN4C)OC	72
+C1(CCCN1C)CCN2c3ccc([N+]([O-])=O)cc3OCC2=O	1525
+c1(OC)n(c2nc(nc(N)c2n1)OCCCC)CCCCl	637
+C1(C2(C)C(CC1)C3C(C4(C)CCC(CC4=CC3=NOCCCCl)OC(=O)C)CC2)OC(C)=O	1071
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(ccc(OCCCCl)c4)Cl	8
+n1n(C)c(OCCCCl)cc1C(=O)OC	5759
+CC(C)(C)NC(CN1C(=O)c2cc(ccc2C=C1c3cc(c(F)cc3)OC)OCCCN4CCCC4)=O	5760
+C1CC(CCN1CCCCl)n2ccc3ccccc23	28
+C1CN(CCN1CCCCl)C=O	28
+C1CN(CCN1CCCCl)Cc2ccc3ccccc3n2	28
+CC(C)(C)OC(=O)N1CCC(C1)N(CCCCl)c2cc(Cl)c(cc2)F	936
+CC(C)(C)OC(=O)N1CCN(CC1)CCc2ccc(cc2)OCCCCl	8
+CC(C)(C)c1nc(cc(C2CC2)n1)N3CCN(CC3)CCCCl	28
+CC(C)(C#N)CCCCl	2455
+CC1(C)C(N(c2c(N(C)C1=O)cc(OCCCCl)cc2)CC)=O	8
+C(Cl)CCN1CCCC1C	28
+c1cc(ccc1OCCCN2CCCC(C2)C)C=O	5761
+C(CCl)CN1C(=O)c2c(C(=N1)C)cc(OC)c(OC)c2	5762
+C(Oc1ccc(C(=O)C)c(C)c1)CCCl	8
+Cc1c2c(n(C)c1)C(CCN(C2=O)CCCCl)=O	3459
+c12c(nc(C)cc1)cccc2-c3nnc(SCCCCl)n3C	5763
+Cc1c(-c2nnc(SCCCCl)n2C)sc(C)n1	5764
+O=S1(=O)N(CCC(=O)c2n(C)ccc12)CCCCl	831
+c1(Cl)cccc(Cl)c1C(=O)NC(C(OC)=O)Cc2ccc(cc2)OCCCCl	8
+c1(cc(cc(F)c1OCCCCl)C(C)=O)F	8
+c1(cccc(-c2cnn(CCCCl)c2)n1)C(=O)OC	338
+c1(cccc(OCCCCl)c1)Br	8
+S(C)c1c2Sc3ccc(OC)cc3N(c2ccc1)CCCCl	2396
+c12cc(cc(c1c(ncn2)Nc3cc(Cl)c(F)cc3)OC4CCOC4)OCCCCl	8
+c1c(OCCCCl)c(cc(C(COC(C)=O)=O)c1)OC	8
+c1cc(OCCCCl)c(F)cc1Br	8
+c12c(cccc1)Oc3c(cccc3)N2CCCCl	2396
+c1cc(F)cc(N2C(SCC(=O)OCC)=Nc3scc(c3C2=O)-c4ccccc4OCCCCl)c1	8
+c1cc(ccc1)N2c3c(cccc3)CC(CCCCl)C2=O	5765
+c1ccccc1OCCCCl	8
+c1ccccc1SCCCCl	636
+c1cc(ccc1-c2n3c(ccn3)nc4CCCCCc24)OCCCCl	8
+c1cc(ccc1OCCCCl)C=C(C)C(OC)=O	8
+c1cc(ccc1CCCCN2C(CCC2)CN3C(=O)c4c(C(Cc5ccc(cc5)Cl)=N3)cccc4)OCCCCl	8
+c1cc(ccc1COc2c(cc(cc2)C(=O)c3cn(c4ccccc34)CCCC(=O)OCC)OCCCCl)C	8
+c1cc(ccc1F)-n2c(N)c(cn2)C(=O)c3cccc(c3)NCCCCl	601
+c1cc(ccc1OCCCCl)I	8
+c1cc(ccc1-c2ccc(cc2)OCCCCl)C(OC)=O	8
+c1cc(ccc1OCCCCl)-c2ccc(cc2C)C#N	8
+c1cc(ccc1C(N)=O)OCCCCl	8
+c1cc(ccc1OCCCCl)C(=O)OC	8
+c1cc(ccc1OCCCCl)NC=C2c3ccccc3NC2=O	8
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(c(cc45)OC)OCCCCl)C)C	8
+C(Oc1cccc(c1)C(=O)OC)CCCl	8
+c1(c(c2c(OCC(N2CCCCl)=O)cc1)F)F	727
+c1(Cl)c(CC)c(c2c(N(CCCCl)C(CO2)=O)c1)Cl	727
+CC(C)(C)c1cc2N(C(COc2cc1)=O)CCCCl	727
+CC(C)c1cc(c(C)cc1OC)C(CCCCl)C(=O)OC	434
+COc1cccc2c(C(=O)C)cn(CCCCl)c12	557
+FC(F)(F)c1cc(Cl)ccc1C(C(=O)OC)CCCCl	434
+C1COC(O1)(CCC#CCCCCl)C	5766
+O=S(=O)(c1ccc(c(F)c1F)F)CCCCl	2456
+O=S(=O)(CCCCl)c1cc(c(cc1)O)C(=O)O	5767
+C1(N(CCCCl)c2c(CC1)cc(F)c(F)c2)=O	727
+c1(F)ccc2N(CCCCl)C(COc2c1F)=O	727
+C1(CCc2c(ccc([N+]([O-])=O)c2)N1CCCCl)=O	727
+C1CSc2cc([N+]([O-])=O)ccc2N1CCCCl	2457
+C(Oc1cncc(Br)c1)CCCl	788
+c1cc(OCCCN2CCCC2C)c(F)cc1Br	72
+Clc1c(SCCCCl)c([N+]([O-])=O)ccc1	972
+c1cc(ccc1[N+]([O-])=O)SCCCCl	411
+c12cc(C3=CC4N(CCOc5cc(cc6cccnc56)OC)C(C3)CC4)ccc1cccc2	2430
+O=C(NCCn1ncnc1)N2C(=O)CCC2	3460
+N1(CCNC1=O)c2cccnc2	3461
+FC(F)(F)c1cc(-c2ccc(cc2)-c3cc(ccc3)S(=O)(=O)C)n(CC(OCSC)=O)n1	5768
+c1(c(NC(C)=O)ccc(c1)OCSC)[N+]([O-])=O	3462
+c1(C=O)cccc(OCSC)c1	3462
+c1(CC#N)c(Oc2cc(ccc2)F)cccc1	177
+c1ccnc(N)c1OCc2c(Cl)cccc2	1900
+c1cc(ccc1)C(Oc2cc(Cl)c(c(c2)Cl)OCc3ccccc3Cl)=O	139
+O(Cc1c(Cl)cccc1)c2c3n(ccc2)cc(C)n3	5769
+CC(C)(C)OC(NC1C(N(Cc2cnccc2)CC(O[Si](C)(C)C(C)(C)C)CC1)=O)=O	3463
+C1CN(CCN1Cc2cnccc2)c3nc(nc(NCCc4ccc(cc4)O)n3)N(C)CCCc5ccc(cc5)Cl	3464
+c1cc(ccc1-c2c(c(SCc3cnccc3)nc(c2C#N)N)C#N)OC4CCCC4O	5770
+n1c(SCc2cc(F)ncc2)c(ccc1)C(=O)O	3465
+C1CCCN1Cc2cnc3c(nc(-c4c(cccc4)[N+](=O)[O-])s3)c2	3464
+c1(C)scc(CSc2nc3c(c(n2)NC(C)CO)sc(N)n3)n1	5771
+Clc1c2c(nc(CCl)n1)cc(OCC)c(OCC)c2	64
+C(CSc1ccnc(c1C)CO)CCSCCn2c(cnc2C)[N+]([O-])=O	1105
+NCCn1c2c(cc(C(=O)N3C4C(CCCC4)CCC3)cc2)nc1	18
+c1c(CN)c2c(cc1)ccn2CC(=O)O	388
+C(Cn1c2c3c(cccc3)nc(N)c2nc1CCC)CCCC(=O)N	461
+C(Cn1c(nc2c[n+]([O-])c3ccccc3c12)CCC)CCCC(=O)N(OC)C	359
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)N(OC)C	164
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)O	3
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)N	728
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(O)cc4c(C(=O)C)c3	348
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(cc4c(C(=O)C)c3)C(=O)OC	348
+Nc1ncn(CCC#N)c1	1901
+CC(C)(C#N)c1cc(C)c(C(C)NC(=O)Cn2c3c(cccc3nc2)F)cc1	2458
+c1(C(O)=O)nn(CCCCC)c2ccccc12	1
+n1cc2cc([N+]([O-])=O)ccc2n1CC(C#N)(C)N	661
+O=C(OC)C(CF)(Cc1cc(ccc1)O)N	27
+c1cc(ccc1OCC(C(CF)(CF)C)=O)Cl	717
+C(F)C(CF)(C(=O)Cn1ncnc1)C	5772
+FCC(CF)(C)c1noc(N)c1	2459
+C1OC(OCC1CO)(CF)CF	1526
+c1cc(ccc1C)S(=O)(=O)OCCOCCF	36
+C1CN(CCN1c2n3c(ccc2)nc(c3)CN(C4c5c(OCC4)cccn5)C)C	1902
+c1c2n(c(c(n2)CN(C)C3c4c(CCC3)cccn4)Br)c(cc1)F	973
+C1CN(CCN1c2cccc3nc(CN(C)C4CCCc5c4nccc5)cn23)CC	1902
+c1c(I)cc2c([nH]nc2C(N(OC)C)=O)c1	184
+C(N(C)c1n[nH]c2ccc(N)cc12)C(NC)=O	0
+O=S(=O)(C)Nc1cc(cc(N(CCC)C)n1)C(OC)=O	5773
+s1c(N2C(O)CCN(CCC)C2=O)nnc1SC	1903
+c1cc(ccc1)CCN2C3C(c4cccc(OC(=O)N(C)C)c4CC3)CC2	5774
+Clc1cc(c(cc1)C(C2CC2C#N)=O)F	586
+FC(F)(F)c1cc(F)c(cc1)C(=O)C2CC2C#N	586
+N#CC1CC1C(c2ccc(cc2Cl)F)=O	586
+c1cc(ccc1Cl)S(=O)(=O)NC2CCCCC2C(N)=O	71
+c1ccccc1CNc2c(cnc(c2)Cl)CC(N)=O	105
+CC(C)(C)OC(NC(C1CCCCC1)C(=O)NC(C(=O)N)Cc2cnccc2)=O	207
+C(=O)(C(NC(C)=O)CSC)O	3466
+C(C)(c1ccc2N(C(Sc2c1)=O)COC)C(N)=S	199
+Clc1cc(ncc1)C(C)Nc2nc3c(o2)c(cc(c3)C(=O)OC)OC	1527
+CC(C)(C)OC(NC(C=1N=C2SC=C(C)N2C(=O)C=1Br)C)=O	5775
+CC(C)(C)OC(NC(Cc1ccccc1)C(=O)NC(CCCNC(N[N+]([O-])=O)=N)C(O)=O)=O	5776
+CC(C)(C)OC(NC(C(O)=O)CCl)=O	5777
+Oc1c(CNC(CO)C(=O)O)cccc1	1528
+O=S(=O)(c1ccccc1)NC(CO)C(=O)O	592
+CC(C)(C)OC(=O)NC(Cc1sccc1F)C(O)=O	403
+n1c(Nc2c(cccc2)OCCC)scc1C3=Cc4cccc(Cl)c4OC3=O	3467
+O(CCC#Cc1cccc(c1)NC(=O)N)CCCCCCBr	121
+C(N)(Nc1cccc(CC2CCCN2CC)c1)=O	5778
+CC(C)(NCC(F)(F)CN)C(=NO)CCn1c([N+]([O-])=O)ncc1	5779
+O=S(=O)(c1c(Cl)cc(cc1)Cl)NCC(O)CN	71
+C1CC(CCC1N(Cc2cc(OC)ccc2)C)N(c3cc(Cl)cc(C(NCC4=C(C)N(NC4=O)C)=O)c3C)CC	2460
+c1cc(ccc1)C=C(C)CNCCC2N(CCC2)C	5780
+C1CC(CCN1CCCN)(C(=O)OC)c2ccccc2	28
+C(c1ccc2OCOc2c1)NCCCBr	42
+CC(C)(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCCBr	1904
+c1ccccc1COC(NCCCBr)=O	101
+c1ccccc1NC(=O)NCCCBr	282
+n1c(c2c([nH]cc2)nc1Cl)NCCCCCN	974
+c1cc(ccc1NC(=O)NCCCCl)[N+](=O)[O-]	282
+c1ccc2Oc3c(cccc3)-c4c(-c2c1)c(sc4)COCCCN	649
+c1cc(ccc1-c2nc3cc(ccn3c2)NCCCF)OC	5781
+Fc1cccc(F)c1S(=O)(=O)Nc2c(ccc(-c3nc(sc3-c4ccnc(NCCCN5CCCC5=O)n4)C(C)C)c2)F	96
+c1cc(ccc1)-c2ccc3c(c(cnc3c2)[N+](=O)[O-])NCCCN4C(=O)CCC4	105
+FC(F)(F)C(NCCCNC)=O	605
+O=S(=O)(c1ccccc1[N+]([O-])=O)N(C)CCCN	92
+CCOC(c1cc(c(NCCCOC)nc1)[N+](=O)[O-])=O	70
+n1c(Cl)cc(nc1NCCCOC)Cl	96
+C(OC)CCNc1nccc(-c2nc3c([nH]2)ncc([N+]([O-])=O)c3)c1	70
+c1cc(ccc1)C(N(S(=O)(=O)c2ccc(cc2)Cl)Cc3ccc(cc3)C(=O)NCCCOC)CC	14
+c1cc(ccc1)COc2cc(c(Br)cc2C(=O)NCCCOC)OCc3ccccc3	14
+c1cc(ccc1CCNCCCOC)-c2nc(c(nc2)N)C(=O)Nc3cccnc3	285
+C1CN(CCO1)c2nc(c(-c3ccnc(NCCCSC)n3)s2)-c4cccc(NS(=O)(=O)c5c(cccc5F)F)c4F	96
+S(C)C(=C[N+](=O)[O-])NCCCSc1ncco1	3468
+c1nc(c[nH]1)CNC(c2sc(cc2)Cl)=O	227
+CC(C)Oc1cc(CCc2[nH]nc(c2)Nc3ccnc(n3)NCc4onc(c4)C)ccc1	96
+C1CC1c2sc3NC(=O)N(C(=O)c3c2)Cc4ccc(cc4OC)OC	5782
+CC(C)(C)[Si](C)(C)OCc1n(C)c2c(cc3C(CCCCc3c2)=NCc4ccc(OC)cc4OC)c1	1529
+CC(C)(C)[Si](C)(C)OCc1n(C)c2c(cc3C(CCCCCc3c2)=NCc4ccc(OC)cc4OC)c1	1529
+CC(C)(c1cc(NCc2ccc(cc2OC)OC)nc(C)c1)O	70
+c1cc(ccc1)C=Cc2nccc(-c3[nH]c(c(C(NCc4ccc(cc4OC)OC)=O)c3)C(C)C)c2	56
+C1(c2cc(CC)sc2NC(N1Cc3ccc(cc3OC)OC)=O)=O	5783
+c1ccccc1CS(=O)(=O)NCc2c(OC)cc(OC)cc2	111
+C(c1c(cc(OC)cc1)OC)Nc2nc3c(cc(F)cc3)nc2OC	1284
+c1ccccc1N2c3c(nc(NCc4c(OC)cc(OC)cc4)cc3)CN(Cc5ccccc5)C2=O	182
+c1cc(ccc1)COc2cccc(CS(=O)(=O)NCc3c(OC)cc(OC)cc3)c2	111
+c1cc(ccc1OCc2ccccc2)CS(=O)(=O)NCc3c(OC)cc(OC)cc3	111
+c1c(c(ccc1OC)CNc2ncc(cc2)F)OC	182
+[O-][N+](c1ccc2nc(ccc2c1)NCc3c(cccc3)OC)=O	554
+c1(ccccc1CNc2ccc3cc(ccc3n2)Br)OC	554
+C1CN(CCN2C(=O)C=Cc3ccc(C#N)cc23)CC(OC)C1NCc4ccc5c(n4)NC(=O)CO5	294
+C(N1C(=O)C=Cc2ncc(OC)cc12)CN3CC(CCC3)CNCc4nc5NC(=O)COc5cc4Cl	294
+C1CCCN(CC1)CCCOc2ccc(cc2)CCCCN3C(CN4C(=O)c5ccccc5C(Cl)=N4)CCC3	123
+C(CCC)N1C(=O)c2c(nc(C(N)=O)n2CC=C)N(C1=O)CCCC	5784
+CC(C)OC=1C=C(C)N(C(=O)C=1[N+](=O)[O-])CC(=O)OC	5785
+FC(F)(F)S(=O)(=O)OC=1C=C(C)N(C(=O)C=1[N+](=O)[O-])CC(=O)OC	5786
+C(N1C(C(O)(c2c(Br)cccc12)c3cc4c(cc3O)OCC4)=O)c5ncccc5	1115
+c1(CN2C(CN)CN(c3cc(cc(Br)c3)OC)CC2)ccc(OC)c(c1)OC	15
+C(c1ncccc1)N2C(=O)C(c3c(cc4c(CCO4)c3)O)c5c(Br)cccc25	462
+C(N1c2c(c(Br)ccc2)C3(COc4cc5c(cc34)CCO5)C1=O)c6ncccc6	20
+C(N1C(c2c(C(=C1)C(=O)OC)cc(c(c2)OC)Br)=O)C	1078
+OB(O)c1cc2C(=CN(CC)C(c2cc1OC)=O)C(OC)=O	5787
+C(C1=CN(C(c2c1cc(c(OC)c2)OCCc3nc4c(cc3)cccc4)=O)CC)(=O)OC	126
+CC(C)(C)OC(CC(C(O)CF)NC(C(C)N1C=CC=CC1=O)=O)=O	9
+C(CN1CCCC1C)N	51
+C(CN1CCCC1CO)N	51
+c1(cc(cc(F)c1-c2sc(Nc3nc(ccc3)CN4CCOCC4C)c(c2)C(=O)N)C(C)(C)O)F	2461
+C1c2cc(ccc2CCN(CCC)C1)CO	98
+C(N1c2cccc(-c3cnccc3)c2C4(COc5cc6c(cc45)CCO6)C1=O)c7ncccc7	305
+C(N1c2c(ccc(c2)-c3nc(cs3)C(=O)O)CC1)(Nc4sc5c(cccc5)n4)=O	6
+C1C(C(CN(CCN2c3cc(cc(F)c3C=CC2=O)F)C1)O)NCc4ccc5c(n4)NC(=O)CO5	294
+C1(=O)C(C(Nc2[nH]nnn2)=O)=Nc3c(cccc3)N1CCO	5788
+C(N1c2ccccc2N=C(C(Nc3[nH]nnn3)=O)C1=O)COC=O	5789
+c1cc(ccc1NC(NC(c2c([N+](=O)[O-])cccc2)=O)=O)Sc3ncc(cn3)Br	2462
+NCC1Cc2c(O1)c3c(c(c(nc3c(C)c2)O)C)C	18
+O=S(=O)(N1C(CC(F)C1)C(=O)NCc2ccnc(Br)c2)c3ccc(cc3)F	3469
+Cc1nc(sc1C(NCc2cnccc2)=O)-c3[nH]ncc3	3470
+COc1cc2c(C(CNC(C)=O)=O)cccc2cc1	155
+CC(C)n1nc(I)c(-c2nc(NCC(C)NC(=O)OC)ncc2)c1	96
+N(=[N+]=[N-])CC(NC(=O)OC)C	600
+C1CC1NC(Nc2ccc(cc2)-c3nc(N4C(COCC4)C)c5CN(C(=O)CCNC(N)=O)Cc5n3)=O	10
+c1cc(ccc1CCCN(CCNC(c2c(N)nc(N)c(Cl)n2)=O)C)OCC(OC)=O	28
+c1(NC(=O)CCNC(c2sc(cc2)Cl)=O)c(C(=O)OC)cc(N3C(=O)C=CC=C3)cc1	33
+[nH]1c(c(c2c1cccc2)CC)CNC	729
+C(C1=CC(C)(COC)Oc2ccc([N+]([O-])=O)cc12)(=S)NC	5790
+CC(C)(C)OC(N(C)Cc1ccccc1I)=O	23
+C(C1C(CC(O)C1)C(=O)N(CCCCC=C)C)(NC2(CC2C=C)C(=O)OCC)=O	10
+N1C(C2CC(CC2C(N(CCCCC=CC3C1(C(OCC)=O)C3)C)=O)OCOCC)=O	2463
+c1ncc2cc(Br)ccn12	1905
+CC(C)(C)OC(N(CCO)CC(O)c1cnc(Cl)cc1)=O	23
+C(c1cc2sc(NC(NCC)=O)nc2cc1)(=O)O	5791
+C(OC(N(CCCC)CCO)=O)C	66
+C(CCNC(c1ccc2ccccc2c1)=O)C=O	24
+CC(C)(C)OC(NC=1CC(C(N(CCCF)CCC)=O)=Cc2ccc(Br)cc2N=1)=O	3439
+c1ccccc1-c2ccc(cc2)C(NC(=O)CNC(NCCCNc3ccccn3)=O)CC#N	9
+c1cc(ccc1CN(CCCN2C(Nc3c(nc(nc23)OCCCC)N)=O)CCCO)CC(=O)O	48
+c1cc(ccc1OCC(O)CNCCNC(=O)Nc2ccc(O)c(F)c2)OCCOC3CCCC3	122
+C(NCCO)(c1c(Nc2c(cc(CC)cc2)F)cc(O)nc1)=O	1818
+c1cc(ccc1)CN2CCC(CC2)N(CCCO)CCO	85
+CC1(C)C(N(CC)c2ccc(CN(CCc3cccnc3)Cc4scnc4C)cc2N(C)C1=O)=O	48
+C(NCc1ccc(c(Cl)c1)Cl)(c2ccc(C(=O)O)s2)=O	6
+c1c(O)c(C=2OC(NN=2)=O)ccc1	5792
+c1(cc(ccc1)C#N)-c2nnc(o2)-c3cccnc3	5793
+CC(C)OC(=O)COc1ccc(c(c1C)NCc2cc(cc(OC)c2)-c3cccc(F)c3)C	52
+c1cc(c(c(F)c1OCC(OCC)=O)NCc2cc(OC)cc(-c3cc(F)ccc3)c2)F	52
+O=S(=O)(C)N(Cc1cccc(CC(=O)OC)c1)CCCc2c(C)nc(nc2NCCCCC)N	112
+c1cc(C)nc2NCC(Nc12)=O	1530
+CCOC(=O)CCCCCCCCCCCn1c(nc2cnc3ccccc3c12)CCC	730
+c1ccccc1-c2c3c(nccc3sc2)NCc4ncccc4	5794
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCC(=O)Nc4c(O)ccc(C)c4	1531
+C(Nc1cccc(N)c1)(C=C)=O	0
+c12cc(OC)cc(c1c(Nc3cc([nH]n3)CC(Nc4cccc(c4)F)=O)ncn2)O	5
+c1cc(ccc1)COc2cccc(CC(=O)Nc3ccc(c(c3)Cl)Cl)c2	22
+C1CN(CCC1)CCNc2ccc3c(COC3=C4C(=O)Nc5ccccc45)c2	53
+N(c1cc(NC(=O)C=C)ccc1)c2ncnc(n2)Nc3cccc(Cl)c3	360
+Clc1ccc2CCCN(c3nc(Nc4cccc(c4)NC(=O)C=C)ncn3)c2c1	360
+COc1cc(cc(OC)c1OC)Nc2ncnc(Nc3cccc(NC(=O)C=C)c3)n2	360
+C1COCCN1c2c(cc(cc2)Nc3nc(-c4cccc(NC(C=C)=O)c4)c5cnn(c5n3)C6CCCCO6)O	55
+O(n1nnc2c1cccc2)c3nc(c(cn3)C(=O)N)NCc4cnn(C)c4	1906
+C(Nc1nc(Cl)ncc1C(=O)O)c2cnn(C)c2	6
+CN(C)Cc1cc(Cc2c(NCCCCC)nc(N)nc2C)ccc1	171
+C(Nc1nc(N)nc(c1Cc2cc(CCl)ccc2)C)CCCC	109
+Clc1ccc2oc(nc2c1)NCC3N(CCCC3C)C(=O)c4c(ccc(C)c4)-c5cc(ncc5)C	30
+COc1cc(cc(OC)n1)CCc2[nH]nc(c2)Nc3ccnc(n3)NCc4onc(c4)C	349
+N1(CCl)CCC(O)N(c2sc(nn2)CC=C)C1=O	1903
+O=C(CCCCCC#C)O	3471
+C1(N(c2cccc([N+]([O-])=O)c2)C(CC1(CC)C)=O)=O	5795
+C(C)(Oc1c(Cl)cccc1)c2sc(nn2)N	1087
+n1ccc(O)c(c1)NC(c2nccnc2N)=O	1285
+c1cc(N)c(NC(c2nccnc2N)=O)cc1	466
+C1c2c(CN(C(c3c4ccccc4nc(-c5cc(ccc5)F)n3)=O)C1)ccc(OC)c2O	147
+c1cc(cc2nonc12)CN3C(N(CC3)c4nc(c(s4)C(=O)NCc5cnccc5)C)=O	454
+c1ccc2c(sc(c2C)C(=O)OC)c1	1532
+CC(C)NCC(OC(C(O)C(C(O)C(CO)O)O)=O)c1c(c(C)cs1)C	27
+C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O	10
+C(O)(C)Cn1c2c3c(CCCc3n1)cc(c2)O	3472
+c1cc(ccc1)COc2cc3CCCc4c3c(n(n4)CC(C)O)c2	22
+c12c(c(c(C(CCC=C)=O)cc1ccn2C)C=C)F	155
+c1cc(ccc1OCCO)CC(NCC(c2cccc(n2)Cl)O)C	87
+n1oc2c(c1CCO)cccc2	21
+O=S(=O)(N1c2c(CC1)cc(cc2)-c3nc(NC(Cc4cc5c(OCO5)cc4)=O)sc3C)c6ccccc6[N+]([O-])=O	373
+C1C2(CC1)CN(c3c2cccc3)C(Cn4c(Cl)c(c5ccc(Cl)c(F)c45)Sc6c(F)c(C(OCC)=O)ccc6)=O	429
+c1nc(ncc1)N2CCN(CC2)C(Cn3c(Br)nc(Br)c3Br)=O	10
+n1c2c(c(O)nc1)cc3OCOc3c2	1116
+COc1c(Br)cc(c(OC)c1C(=O)O)Cl	662
+CC(C)(C)OC(N1CCN(CC1)C(=O)c2c3c(ccc2OC)cc(cc3)-c4cccc(OC)c4)=O	30
+c1(OC)c(c2c(cc1)cc(-c3cc(ccc3)OC)cc2)C(=O)NC	14
+C1C(CN1CCO)Oc2nc3c(cc(cc3)C#CC(C)(O)c4cc(on4)C)n2-c5nc(N)ncc5	5796
+c1c(ccnc1-n2nc(c3c2CCCC3)C(N)=O)C#CC(C)(O)c4cc(on4)C	1243
+c1c(cc(C(CCC)=O)c(F)c1)Br	155
+c1c(cc(F)c(C(CCC)=O)c1)Br	155
+Cc1c2ccc(C#CC(O)(C)c3cocn3)cc2n(-c4ccnc(N)n4)n1	5797
+C1(N(c2ncnc(OCC#CC)c2F)CC(C)CCC1)C	1470
+C(COc1cc(SC)ncn1)#CC	1470
+c1cc(ccc1OC(OCC(NC)=O)=O)[N+]([O-])=O	3473
+C1CN(CCC1COc2c3c(Nc4ccc(c(Cl)c4)O)ncnc3ccc2)C(CO)=O	10
+C1CC(CCN1C(CO)=O)c2c3CC(C)Oc3c(Nc4nc(Nc5ccccc5S(=O)(=O)C(C)C)ncn4)cc2C	731
+n1c2ccc(OCC)nc2n(C)c1CO	5798
+c1(C(=O)NCC2N(CC2)C(=O)CO)cc(F)c(nc1NCCc3cccc(F)c3)-c4cnn(C)c4	731
+c12c(cc(cc1)Nc3c4c(cccc4ncn3)OCC(C)N(C(=O)CO)C)ccn2Cc5ncccc5	731
+c12cc(cc(OCC3CC(CN3C(=O)CO)O)c1c(ncn2)Nc4cc(Cl)c(F)cc4)OC	10
+c1cc(ccc1-c2c(cc3c4nnc(CO)n4ccc3n2)-c5ccccc5)C6OCCO6	5799
+c1cc(ccc1)C(Nc2cncc(c2)Br)CNC(CO)=O	9
+n1c(c2cc(n(Cc3cc(Cl)ccc3)c2nc1SC)CC)OCC(OC)=O	3474
+FC(F)(F)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3cccc(COCC(=O)OC)c3	1907
+O(CC(=O)OC)c1ncc(Br)cc1[N+](=O)[O-]	2464
+O(CC(=O)OC)c1ncccc1[N+](=O)[O-]	2464
+c1([N+]([O-])=O)ccc(nc1)OCC(OC)=O	2464
+c1cc(ccc1)-c2c(Cn3c(cc4c3nc(nc4OCC(=O)OC)SC)CC)cccc2	3474
+c1cc(ccc1F)NC(=O)c2ccc(OCC(OC)=O)nc2	5800
+C=C(C)COc1cc(ccc1[N+]([O-])=O)F	5801
+C(O)C(CO)(C(OC)=O)c1cc(-c2nc3cc(C(=N)N)ccc3[nH]2)c(c(-c4cc(CN)ccc4O)c1)O	107
+OCC(CO)(c1cc(-c2c(O)ccc(CN)c2)c(O)c(c1)-c3[nH]c4cc(ccc4n3)C(=N)N)C(=O)O	4
+C(O)C(CO)(C)Nc1nc(nc2nc(OC)sc12)SCc3c(c(F)ccc3)F	5802
+C(O)C(CO)(Nc1c2SC(=O)Nc2nc(SCc3c(c(F)ccc3)F)n1)C	5803
+C(O)C(CO)(C)Nc1nc(nc2c1sc(n2)Cl)SCc3c(c(F)ccc3)F	5804
+C1(=O)COCC(c2cc(Br)cnc2Cl)(CO)N1	467
+O1CC(COC1(C(=O)OCC)C)CCC=C	5805
+c1cc(ccc1C)S(=O)(=O)OCC(CO)CCOc2ccc(cc2)Br	36
+C(O)C(CO)Cc1ccc(cc1)-c2ccc(cc2)O	16
+C(O)C(CO)Nc1nc(-c2cc(NC(C)=O)ccc2)c3c(N(C(C=C3)=O)c4ccc(cc4F)F)n1	198
+C(OC1COCC1Oc2c(OC)ccc(C(=O)O)c2)C	5806
+CC(C)=CCCC(=CCCC(=CCCCOCC(CO)O)C)C	1117
+c1(c(cc2c(nccc2)c1)[N+]([O-])=O)OC	5807
+CC(C)CCCC(CCCC(C)=CCCCOCC(CO)O)C	1117
+c1cc(ccc1C(=O)Nc2ccc(cc2)Cl)C3OCC(CO3)SC(C(Cn4cncn4)(c5c(F)cc(F)cc5)O)C	5808
+c12ccccc1-c3c(cccc3)C2COC(=O)NC(CO)(C(O)=O)C	5809
+CN(C)C(CCCC#Cc1cc(C(=O)NC(CO)C)ccc1)=O	10
+C1CCN1C(=O)c2cc(F)c(Oc3cc(cc(c3)OC(C)CO)C(=O)Nc4nn(C)cc4)cc2	46
+c1(cc(Oc2c(cc(cc2)C(=O)OCC)F)cc(OC(C)CO)c1)C(=O)Nc3ccn(C)n3	46
+C1N(CC1)C(c2cnc(Oc3cc(cc(C(OC)=O)c3)OC(CO)C)c(Cl)c2)=O	136
+O=S(=O)(C)OCC(C)(c1c(F)cnc(Br)c1)O	7
+C1(NC(C)(COC1)c2cc(ccc2)Br)=O	467
+O=S(=O)(C)OCC1C(C2(C(COC(C)=O)CC(CC2)OC(C)=O)C)CCC3(C)C(C(OC(C)=O)CC13)=C	7
+CC(C)(C)[Si](C)(C)OCC1CC(CC1CC)=O	19
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(O2)c(ccc3)Br)C	36
+c1cc(ccc1S(=O)(=O)OCC2Cc3cc(cc(c3O2)F)Br)C	36
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(=O)OCCC)n2)c1	204
+c1(c[n+]([O-])ccc1OCCC)C	857
+c1ccccc1C(N)CC(OCCC)=O	27
+c1cc(ccc1-c2cnc(C)c(C(OCCC)=O)c2)Cl	342
+c1cc(ccc1-c2scc(CSc3nc(c(c(c3C#N)-c4ccccc4)C#N)OCCC)n2)Cl	91
+c1cc(ccc1OC(C(=O)OCCC)C)N(c2nc(Cl)c3cc(ccc3c2)Cl)C	5810
+C(COC(c1cncc(N)c1)=N)C	5811
+CC(C)(C)[Si](C)(C)OCCC(CC(=O)OC)C	19
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCOCC4CCO	85
+O=S(=O)(OCCC1n2cc(I)cc2C(=O)NC1)C	7
+CC(C)(C)C1OCCC(O)C1	5812
+O=S(=O)(C)OC1CC(c2cc(Br)nn2C)OCC1	5813
+c1(CN2N=C(OCCC=C)C=CC2=O)cc(ccc1)C(=O)OC	5814
+c1cc(ccc1C2OCCC(O)C2)Cl	5815
+c1(O)c(Cl)ccc(OCCCBr)c1C(=O)OC	5816
+C1CN(CCC1c2c3c(cc(F)cc3)[nH]n2)CCCO	28
+C1CC1c2c(cc3nn(c(C(=O)NC)c3c2)-c4ccc(cc4)Br)N(S(=O)(=O)C)CCCO	1233
+C1CN(CCN1C)CCCO	28
+C1CN(CCN1CCCO)C(C)=O	28
+CC(C)(C)C(=O)OCN1C=Nc2cc(c(cc2C1=O)OC)OCCCBr	126
+CC(C)(C)OC(=O)N1CC(COCc2ccc(cc2)OC)N(c3ccc(cc3)OCCCO)CC1	8
+CC(C)(C)OC(=O)NC(Cc1cccc(OCCCO)c1)C2OC(=O)N(Cc3cc(ccc3)C(C)C)C2	8
+CC(C)(C)OC(NC(CCSCCCO)C(OC(C)(C)C)=O)=O	965
+CC(C)(C)c1cc(ccc1)OCCCO	8
+CCCCCCCCCCCCSCCCO	965
+Cc1c(-c2sc(c(C#N)c2-c3cccnc3)SC)cc(cc1)Nc4cccc(OCCCO)c4	8
+N(c1c(C)cccc1Cl)CCCO	601
+O=Cc1c(OCCCO)cc(c(-c2cccs2)c1)OC	8
+O=S(=O)(N)c1cc(C(=O)OCCCO)c(NCc2ccco2)cc1Cl	1908
+O=S1(=O)N(c2ccccc2N1CCCBr)c3ccccc3C	1909
+O=S1(=O)N(c2ccccc2N1c3ccc(cc3C)F)CCCBr	1909
+c1(c(Cl)nc(CCCC)[nH]1)C(OCCCBr)=O	1910
+Fc1ccccc1COCCCBr	149
+c1cc(Br)nc([N+]([O-])=O)c1OCCCBr	1286
+n1(nc(c(c1Br)[N+](=O)[O-])Br)CCCO	338
+c1(cc(cc(C)c1OCCCO)C=O)C	8
+C(Oc1cccc(c1)CC(OC)=O)CCBr	20
+c1c(nc(cc1)C(=NOCCCO)C)C	1071
+c1ccccc1C(c2ccccc2)CN(Cc3c(Cl)c(C(F)(F)F)ccc3)CCCO	28
+O=S(=O)(C)N(c1cc2oc(-c3ccc(cc3)F)c(c2cc1Br)C(=O)NC)CCCO	1233
+c1cc(ccc1OCCCO)-c2cn3cc(ccc3n2)Br	8
+c1cc(ccc1CC(OC)C(OCC)=O)OCCCBr	20
+c1cc(ccc1Cc2c(NCCCCC)nc(N)nc2C)OCCCO	8
+c1ccccc1C2(CCN(CC2)CCCO)c3ccccc3	28
+c1cc(ccc1)C(CCCO)c2c(C)c(c(c(C)c2OC)C)OC	5817
+c1cc(ccn1)SCCCO	636
+C1CC(CCC1N2c3c(c(nc(n3)N)C)C=C(C(OCCCC)=O)C2=O)O	5818
+C1CC1CN2C(=O)c3ccc(cc3C(OCCCC)=C2C(OCC)=O)Br	5819
+C1CCCC(n2cnc3c2nc(nc3N)OCCCC)O1	482
+C(Oc1cc[n+]([O-])c(c1C)C)CCC	857
+N#Cc1cnc2c(cc(OCCCC)c(c2)OCCOC)c1Cl	126
+O(CC1OC1)CCCC	649
+O=Cc1cc(O)c(OCCCC)c(Cl)c1	20
+c1cc(ccc1Cl)-c2oc(-c3cscc3)c(CC(OCCCC)=O)n2	27
+C1CC1c2cc(c(OCCCC(=O)C)nc2Cl)C(=O)N	91
+FC(F)(F)c1ccc(cc1)-c2csc(CCCO)n2	963
+n1cc(cnc1-c2ccc(cc2)C=CCCCO)OCC	858
+c1cc(ccc1Cl)-n2nc3cc(c(cc3c2C(=O)NC)C4CC4)N(S(=O)(=O)C)CCCC=C	1909
+C(O)CCCCCc1cc2c(cccc2)nc1	3475
+CCCCCCCNCCCCCO	15
+C(O)CCCCCSc1nc2ccccc2[nH]1	2465
+c1cc(ccc1N(CC)CCCCCCO)Br	936
+C(CCCC)CCOC1CCC(=O)N1	1515
+C1CCC(C1)C2N(c3ccc(C#N)c(Cl)c3)N=C4C2CCc5cc(C(OCCCCCCC)=O)ccc45	47
+FC(F)(F)c1cc(C(=O)O)ccc1OCCCCCCC	57
+Fc1cccc(F)c1C(Nc2ccn(Cc3ccc(cc3Cl)OCCCCCCCO)n2)=O	8
+c1ccccc1OCCCCCCCO	8
+C1CC(CCN1C(CCc2nccn2CC(=O)OCCCCCCCC)=O)N(C)C	456
+C(CCOc1ccsc1)CCCCC	5820
+O1CCOC12C(C(C#N)CC2)CCCCCCCO	381
+c1c(COCCCCCCCCO)cc(F)c(c1)F	149
+c1c(c(C#N)c(cc1)[N+](=O)[O-])OCCCCCCCCO	1118
+C(O)CCCCCN=[N+]=[N-]	558
+C(O)CCCCCOc1ccc2cc(ccc2c1)C(=O)O	72
+c1ccccc1N(C)CCCCCCO	5821
+c1cc(ccc1C=O)OCCCCCCO	5822
+c1cc(ccc1OCCCCCCO)C=CC(=O)O	72
+CC(C)(C)OC(=O)NCCCCCCO	37
+[N-]=[N+]=NCCCCCC=O	24
+c1cc(ccc1C)S(=O)(=O)OCCCCCCN=[N+]=[N-]	36
+c1cc(ccc1C(OCCCCCCOC(=O)C(C)=C)=O)OC(=O)C=Cc2ccc(cc2)OC	47
+C(OC(C=C)=O)CCCCCOc1cc2c(cc(cc2)C(O)=O)cc1	2466
+c1cnccc1OCCCCCCSc2[nH]c3c(cccc3)n2	2467
+C(CCCCl)CCc1cc2c(cccc2)nc1	221
+c1cc(ccc1Cl)-c2c(OCCCCCO)ncc(c2)C(=O)NC3CCCCC3O	89
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCCO	53
+c1(c(cc(OC)c(COCCCCl)c1)F)F	555
+c1c(c(Nc2cc([N+]([O-])=O)c(cc2)C(=O)c3c(C)ccc(OCCCO)c3)ccc1F)F	72
+c1cc(ccc1)C=2c3ccccc3C(N(CCCO)C=2)=O	5823
+c1cc(ccc1OCCCO)C(c2c[nH]c3c2cccc3)=O	72
+c1cc(ccc1O)SCCCO	1107
+c1cc(ccc1SCCCO)NC(=O)C	1107
+c1cc(ccc1-c2c(C)c(C(=O)OCC)nn2-c3ccc(Cl)cc3Cl)OCCCF	20
+c1cc(ccc1[N+]([O-])=O)OCCCI	20
+CC(C)(C)c1ccc(cc1)NC(=O)NCCCO	282
+C[Si](C)(C)OCCCN	19
+Cc1nc(Cl)c(c(NCCCO)c1C)[N+]([O-])=O	105
+Clc1c(Cl)cc(c([N+](=O)[O-])c1)NCCCO	205
+c1(C)c(NCCCO)nc(Cl)nc1	40
+C(O)CCNc1c(F)cnc(Cl)n1	40
+FC(F)(F)CCS(=O)(=O)CCCNCCCO	284
+FC(F)(F)c1cccc(Nc2nc(NCCCO)nc3n(CC)cnc23)c1	96
+FC(F)(F)c1ccc(cc1)C(NCCCO)=O	93
+OCCCNCCC#N	1287
+O=S(=O)(NC(C)CNCCCO)c1ccccc1[N+]([O-])=O	285
+N(CCCO)c1c([N+]([O-])=O)cccc1Cl	205
+c1c([n+](ccc1)[O-])NCCCO	1911
+c1ccccc1-n2c3ncnc(NCCCO)c3nc2-c4ccccc4	516
+c1cc(ccc1)CC(C)(N(C)C)C(c2ccc(cc2)NCCCO)=O	60
+c1ccccc1COC(NCCCO)=O	101
+c1cc(ccc1)COc2c(OC)cc(cc2)Cc3nc4c(ccc(NCCCO)c4)c5nc(nn35)N	5824
+c1cc(ccc1C#N)NCCCO	60
+c1cc(ccc1COC(NCCCO)=O)[N+]([O-])=O	101
+c1cc(ccc1-c2nc3CN(C)Cc3c(N4CCOCC4C)n2)NC(=O)NCCCO	238
+O=S(=O)(Nc1ccc(NCCCO)c([N+]([O-])=O)c1)c2ccc(cc2)NC(C)=O	60
+c1ccccc1COc2ccc(cc2)-c3n(CCCO)c(C)cc3	3476
+C(O)CCNc1nccc(Cl)n1	96
+C(CCN(C)c1c(cnc(Cl)n1)F)Oc2cc3c(n(CC(OC)=O)cc3)cc2	20
+c1cc(ccc1C)S(=O)(=O)OCCCN=[N+]=[N-]	36
+CC(C)(C)OC(=O)N(CC)CCCO	23
+CC(C)(C)[Si](C)(C)OCCCNc1nc(Cl)ncc1F	19
+n1c(NCCCOc2cc3c(cc2)n(cc3)C(C(OC)=O)C)c(cnc1Cl)F	126
+n1c(nc(cc1)Oc2ccc([N+]([O-])=O)cc2F)NCCCO	185
+c1cc(ccc1Oc2ccnc(NCCCO)n2)[N+]([O-])=O	185
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2nc(nc(OCCCO)c2Oc3ccccc3OC)N4CCOCC4	145
+CC(C)OCOCCCO	433
+C[Si](C)(C)CCOCn1c(cc2c1cc(c(-c3ccc(cc3)-c4ccccc4)n2)Cl)OCCCO	5825
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)OCCCO	5826
+C1OC(CCC1)OCCCO	219
+O=S(=O)(c1cccc2cnccc12)Oc3cc(C)cc(OCCCO)c3	126
+O=S(=O)(c1c(OC)cccc1)Oc2cc(C)cc(OCCCO)c2	126
+O=S(=O)(c1cc(Cl)ccc1OC)Oc2cc(cc(C)c2)OCCCO	126
+O=S(=O)(Nc1cc(O)c(cc1)C(OCCCO)=O)c2cc(c(Cl)s2)-c3cccc(OC)c3F	1533
+C1OC2(OCC1)C(Nc3c2cc(cc3)S(=O)(=O)N4CCCC4COC)=O	5827
+O=S(=O)(Oc1cc(C)cc(c1)OCCCO)c2cccc3nsnc23	126
+O=S(=O)(c1c([N+]([O-])=O)cccc1)Oc2cc(C)cc(c2)OCCCO	126
+C1OC(OCC1)c2ccc3c(c(Cl)n[nH]3)c2	5828
+c1c2c(c(ncn2)O)ccc1OCCCO	724
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCO	604
+n1cc(C#N)ccc1OCCCO	91
+C(OC)CCOc1cc[n+]([O-])c(c1C)C	857
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4cc(ccc4Cl)OCCCSCCCO	1105
+c1cc2c(c(SCCCO)c(C#N)cn2)cc1I	1275
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCCO	5829
+CC(C)(C)[Si](C)(C)OCCCc1ncsc1	19
+C(CF)Oc1ccc(cc1Cl)F	20
+n1cc(cnc1OCCF)C#Cc2ccc(cc2)C(C)C(=O)NCC	482
+c1ccccc1COC(N(CCO)C2CCC(CC2)N(C)C)=O	5830
+c1cc(ccc1)N(C(C)C)CCO	2457
+c1c(cc(C)cc1)C#Cc2nc(C)n(C3=CC(=O)N(CCO)C=C3)c2	3477
+c1cc(ccc1OCCN(c2sccn2)C)C=O	57
+O=S(=O)(C)OCCN1CC(C(N=[N+]=[N-])CC1)O	7
+FC(F)Oc1c(Cl)c(-c2c(Cl)cc(Cl)c(C(=O)OCCN3C(=O)CCC3)c2)nn1C	279
+N1(CCCC1=O)CCOc2cnc3c(n2)ccnc3Cl	1534
+C(CO)N(C)CCOC	28
+C1(CCc2c(ccc([N+]([O-])=O)c2)N1CCCN(CCO)C)=O	53
+C1COCCC1Nc2c3c(n(nc3)CC)nc(c2CNC(=O)c4ccc(cc4)CCCCCCCCN(CCO)C)CC	28
+CC(C)(C)OC(=O)N1CCC(c2cc(nc(N(CCO)C)c2)Cl)=CC1	43
+CC(C)(C)[Si](C)(C)OCCNC	19
+CC(C)(C)c1ccc(cc1)C=2N(C)N(c3ccc(cc3)C#N)C(=O)C=2C(=O)N(C)CCO	3478
+CC(C)(C)c1nnc(NC(=O)N(C)CCO)s1	1110
+c1(Cl)ccccc1CNC(=O)N(C)CCO	384
+C1CC1C(=O)c2cnc3c(c2NC4CCC(CC4)CN(C)CCO)cc(cc3)Br	123
+C(O)CN(C)c1n(C)ncc1[N+](=O)[O-]	959
+c1c(cc(c(c1)N(C)CCO)[N+]([O-])=O)Br	34
+c1cc(ccc1)CN(Cc2ccccc2)c3ccc(CN(CCO)C)nc3	315
+c1cc(ccc1CN(C)CCO)C(OC)=O	131
+c1cc(ccc1NC(c2cc(Br)c(nc2)N(C)CCO)=O)OC(F)(F)Cl	43
+c1ccc2nc(N(C)CCO)sc2c1	1912
+c1cc(ccc1)C(=O)N(CCO)C	3479
+c1ccccc1C(c2ccccc2)(CN)CN(C)CCO	5831
+c1ccccc1C2Oc3c(CC2)c(cc4nc(C)n(CCOC)c34)C(N(C)CCO)=O	30
+c1ccccc1COc2cc(cc3nc(n(CCOC)c23)C)C(N(CCO)C)=O	30
+c1ccccc1N2N(C(=C(C(Nc3ncc(Oc4ccnc(NC(=O)N(C)CCO)c4)cc3)=O)C2=O)C)C	437
+c1nc(ncc1)N(C)CCO	117
+C(COC(=O)OCCl)NC(C)=O	405
+c1ccccc1COC(=O)NC(Cc2c[nH]cn2)C(=O)N3C(CCC3)C(NCCO)=O	5832
+CC(C)CC1N(C(C)(C)OC1)C(=O)c2cnc(OCCNC(CC)=O)c(-c3ccc(cc3)Cl)c2	91
+c1cc(ccc1)-c2csc3nc(nc(NCc4ncccc4)c23)N5CCCC(C(NCCO)=O)C5	117
+C1CN(CCC1NC(=O)c2cnc(-c3cc(F)ccc3)cc2)c4ccc(C(=O)N(CCO)CC)cn4	211
+CC(C)(N(CC)CCO)C#C	5833
+FC(F)(F)c1ccc(cc1)S(=O)(=O)NC2CCC(CC2)CCCCCN(CC)CCO	28
+c1cc(ccc1[N+]([O-])=O)OCCNCC	57
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4ccc(cc34)-c5ccc(cc5CN(CC)CCO)F)N	48
+C(O)Cn1ncc(C(OCC)=O)c1N	3480
+CC(C)(C)c1cc(n(CCO)n1)N	5834
+n1cc2c(n1CCO)CCCC2=O	3481
+C(O)Cn1ncc(C#N)c1N	5835
+O=S(=O)(c1ccc(cc1)Cl)N2C3Cc4c(cnn4CCO)C2CCC3	5836
+CC(C)(C)C#Cc1cc(Cl)ncc1NCCO	1243
+C(COCCNc1n[n+]([O-])c2ccccc2n1)N=[N+]=[N-]	600
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(=O)CCCSCCO	1105
+CC(C)(C)OC(=O)N1CCc2cc(SCCO)ccc12	607
+CC(C)(C)OC(N1CCC(CC1)Nc2c(ccc(c2)[N+]([O-])=O)SCCO)=O	972
+Cc1nc(SCCO)ccc1[N+]([O-])=O	3482
+c1(OC)cc(cc([N+]([O-])=O)c1)SCCO	607
+c1c(OC)ccc2ncc(SCCO)nc12	3483
+c1c2c(ccc1OC)ncc(SCCO)c2	3445
+c1ccccc1-c2c(SCCO)c3c(ccc(c3)F)nc2CC	1275
+C1CN(C2=CC(OCCc3cc(c(Oc4cc(F)c(Cl)cc4)cc3)F)=NC(N2C1)=O)C	2468
+c1cc([N+](=O)[O-])c2ccccc2c1OCCc3c(cncc3)N	20
+C(O)Cc1ccncc1N	13
+c1(c(ccs1)CCO)Br	407
+c12ccn(CCOC(=O)C)c1cccc2	152
+O=S(=O)(C)OCCn1c2ccccc2cc1	7
+Nc1c(C#N)cnn1CCCl	1883
+C(O)Cn1ncc(C(=O)O)c1N	6
+Clc1[nH]c(-c2cccnc2)nc1CO	844
+C1OC(CCC1)OCc2c(Br)cccc2Cl	219
+O=Cc1cc(c(cc1Cl)OC)Br	39
+C1OC(CCC1)OCc2c(Cl)cc(c([N+]([O-])=O)c2)C	219
+O=Cc1cc(ccc1Cl)CCNC(C)=O	39
+CC(C)(C)OC(=O)N1CC(N(C(OCc2c(c(ccc2F)Br)F)=O)CC1)CC	2469
+ClCc1c(F)ccc(I)c1C	109
+C1CN(CCN1c2ccc(cc2CO)[N+]([O-])=O)C	34
+Cc1c(C(=O)OCC)c2n(c(cc(C)c2)OCc3c(F)cccc3Cl)n1	3484
+Clc1cnc(c(c1CCl)Cl)N	5837
+c1(CO)c(sc(c1C)C)Br	407
+O=Cc1c(ccc(C)c1C)[N+]([O-])=O	39
+C(OCc1c(ccc(CBr)c1)Br)OC	433
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1[N+]([O-])=O)OC	19
+c1ccccc1COc2c(cc(cc2)[N+](=O)[O-])CO	22
+CC(C)(C)[Si](C)(C)OCc1c(OC)cccc1Br	19
+CC(C)(C)[Si](C)(C)OCc1c(nnc(C(=O)OC)c1)OC	19
+CC1(C)C(C(OCc2c3c(ccc2)-c4c(cccc4)CCC3)=O)C1C=C(F)F	204
+O=Cc1ccc(Cl)c2c1n3CCCN(c4ccc(cc4C)C(=O)N)c3n2	200
+CC(C)(C)OC(=O)n1c(cc2c(cccc12)OCc3c4c(oc3)cc(F)cc4)C(OCC)=O	5838
+c12ccccc1nccc2CCl	109
+c1(F)cc([N+]([O-])=O)cc(CO)c1NC	60
+FC(F)(F)c1cc(OCc2cc(ccc2O)F)c(cc1)C(Nc3ccnc(c3)O)=O	57
+COc1c(cc2c(c1)ncnc2Nc3cccc(Cl)c3F)CCl	109
+c1c2c(ccc1F)cc(CCl)c(Cl)n2	5839
+O=Cc1c2nc(oc2c(cc1)Br)C	200
+CC(C)(C)OC(=O)N(C)Cc1ccc(c(c1)F)CO	23
+O=Cc1ccc(N)cc1Cl	39
+CC(C)(C)OC(=O)NCC(=O)Nc1ccc(c(Cl)c1)CO	33
+c1cc(ccc1)OC(=O)Nc2cc(F)c(cc2)CO	90
+c1ccccc1COc2cc(Cl)c(CO)cc2	22
+C(O)c1ccc(N)cc1F	0
+O=Cc1c2c(nn(C)c2)c(F)cc1	39
+O=S(=O)(OCc1ccc(C(OC)=O)cc1C)C	7
+c1cc(CCl)c(C)cc1F	109
+c1ccccc1COc2cc(c(cc2)CO)C	22
+C(O)c1ccc(CNC)cc1F	370
+NC1=C(NCCCOc2cc(CCl)ccc2)C(=O)C1=O	109
+c1(ccccc1Cl)Cn2cc(-c3nccc(c3)C=O)nc2	39
+COc1cc2c(ccnc2cc1)CCl	438
+OB(O)c1ccc(cc1C2CCCC2)OCc3ccccc3	1913
+C(C)OB(OCC)c1c(OC)cc2CCCc2c1	5840
+OB(O)c1cc2c(CCC2)cc1OC	1913
+c1ccccc1COc2c(cc(B(O)O)c(OC)c2)CC	1913
+CC(C)c1c(B(O)O)ccc(c1)OCc2ccccc2	1913
+C1CN(CCC1)C(=NC#N)CC#N	5841
+C(OCC)(Cc1cc(C)c(-c2cc(ncc2)C)nc1)=O	5842
+CC(C)(C)c1ccc2c(c(C(=O)OCC)cnc2c1)O	975
+CC(C)COc1ccccc1-c2ncc(c(O)n2)C(OCC)=O	5843
+O=C(OCC)C(C(=O)OCC)=CN1C(C)(C)Cc2c1cccc2	5844
+O=C(OCC)C(C(=O)OCC)=CNc1ccnn1CC	2470
+CCOC(=O)C=1C(N(NC=1)c2ccccc2OC)=O	5845
+C1(N2C=C(c3ccc([N+]([O-])=O)cc3C2=NC=C1C(=O)OCC)C)=O	5846
+C(C)OC(=O)C(C(OCC)=O)=CNc1c(C)cc(cc1)OC	1535
+C(C)OC(=O)C(C(OCC)=O)=CNc1cccc(Br)c1	1535
+C(C)OC(c1c(O)c2ccc(cc2nc1)F)=O	975
+c12c(c(cnc1cc(c(OC)c2)F)C(=O)OCC)O	975
+O=C(OCC)C(C(=O)OCC)=CNc1cc(C)nn1-c2ncccc2	2470
+C(C)OC(=O)C(C(=O)OCC)=CNc1ncnc2c1cccc2	2470
+C(OCC)(=O)C(C(OCC)=O)=CNc1ccccc1I	1535
+c1c(c(c(Cl)cc1)Cl)Cc2ccc3c(c2)c(c(cn3)C(=O)OCC)O	975
+c12cc(ccc1ncc(c2O)C(=O)OCC)C(=O)c3c(c(OC)c4ccccn34)C	975
+c1cc2c(c(c(cn2)C(=O)OCC)O)cc1I	975
+C1COCCN1c2ccc(cc2)NC=C(C(OCC)=O)C(OCC)=O	1535
+C(C)OC(=O)C(C(OCC)=O)=CNc1ccc(cc1)OC	1535
+c12cc(OC)ccc1ncc(c2O)C(=O)OCC	975
+c1ccccc1-c2nc(O)c(C(OCC)=O)cn2	5847
+C(OCC)(=O)C(C(OCC)=O)=CNc1cnc(NCc2ccccc2)cc1	5848
+c1ccccc1Oc2cc3c(c(C(OCC)=O)cnc3cc2)O	975
+c1c(CN2C(C(=C(c3cccn23)O)C(OCC)=O)=O)cc4c(cccc4)c1	3485
+C1(C(C(OCC)=O)=C(O)c2cccn2N1Cc3c(F)cccc3)=O	3485
+C(OC(=O)C(C(OCC)=O)c1c(cc(C)c(N)c1)Cl)C	2471
+c1(C)c(N)cc(c(Cl)c1)CC(OCC)=O	976
+C(C(OC(=O)C(C)=C)C)C1OC1	553
+c1(c(cc2n(C3C(O)C(C(C3)COC(=O)C)O)c(nc2c1)Br)Cl)Cl	59
+c1ccccc1COC(=O)Nc2ccc3CC(C(OCC)=O)C(Nc3c2)=O	90
+C(C)(=O)NC1CC(C(=O)O)C(CC)C1	3
+CC(C)(C)OC(=O)N1C(Cc2c(ccc([N+](=O)[O-])c2)C1)C(=O)OCC	663
+C(C)OP(OCC)(=O)CCCN(C(=O)CC(=O)OCC)c1cc(Cc2ccc(cc2)F)cnc1C(=O)OCC	5849
+c1cc(ccc1Cc2cc(NC(CC(OCC)=O)=O)c(nc2)C(=O)OCC)F	5850
+c1cc(ccc1C(=O)c2ccc(cc2)NC(=O)CC(OCC)=O)Cl	3486
+c1(Oc2cccnn2)cc(C)c3c(B(OC3CC(=O)O)O)c1	3
+CN(C)c1nccc(n1)Oc2cc3c(C(OB3O)CC(OCC)=O)c(C)c2	117
+C(OC(=O)CC1OB(c2c1c(C)cc(Oc3cccnn3)c2)O)C	1288
+C(OC(=O)CC1OB(c2c1c(Cl)cc(OC)c2)O)C	65
+C(C1OB(c2cc(cc(C)c12)O)O)C(=O)O	3
+C(OC(=O)CC1OB(c2c1c(C)cc(Oc3nnc(cc3)Cl)c2)O)C	1119
+C(OC(=O)CC1OB(c2c1c(C)cc(Oc3ccnc(n3)Cl)c2)O)C	185
+CC(C)Oc1cc(cc2B(OC(CC(OCC)=O)c12)O)Oc3nccnc3	313
+C(COCCCl)C(=O)O	3
+C(OC(=O)CCOCCCl)C	221
+CC(C)(C)OC(N(CCCc1nc(ccc1)Br)CC(=O)OCC)=O	663
+c1(cccc2N(CCCc12)C(=O)CCCOc3cc(c(Cl)cc3Cl)Cl)-c4cnn(c4)CC(OCC)=O	20
+CC(C)c1c(O)nnc(Sc2c(Cl)cc(cc2Cl)NN=C(C#N)C(=O)NC(OCC)=O)c1	3487
+C(C(=NNc1c2c(OC(C2)C)c(Cl)cc1)C(=O)NC(OCC)=O)#N	3487
+C(OC(Nc1nc2n(n1)c(Br)cc(C)c2)=O)C	977
+C(OC(Nc1nc2n(cc(Oc3cc(C)cc(NC(c4cc(nn4C)C)=O)c3)cc2)n1)=O)C	977
+C1CCN2C(C(=C(c3ccncn3)N=C2C(N)C1)Br)=O	3488
+C(OC(=O)NC1C2=NC(c3ccncn3)=C(C(N2CCCC1)=O)Br)C	3489
+c1-2c(c(ccc1NC(n3ncnc-23)=O)Br)F	5851
+O=S(=O)(C)Nc1ccc(F)c(NC(OCC)=O)c1	80
+C(OC(=O)Nc1c(F)ccc(N)c1)C	0
+CC(C)(C)c1ccc(cc1)NCc2ccc(NC(=O)OCC)c([N+](=O)[O-])c2	608
+c1c2c(ccc1O)c(NC(OCC)=O)cs2	5
+C(OC(=O)Nc1ccc2C(C)=NCCc2c1)C	1120
+O=S(=O)(C)OCCc1cc(ccc1)NC(OCC)=O	7
+c1cc(ccc1C=2C=CC(N(Cc3cc(NC(OCC)=O)ccc3)N=2)=O)C#N	5852
+C1N(CCC1COC(=O)Nc2ccccc2Br)C	113
+C(OC(=O)OCCC(O)C)C	100
+c1cc(ccc1)C(OC(C)CCOC(OCC)=O)=O	279
+C(C)OC(c1c2c(c(ncn2)O)[nH]c1C)=O	5853
+c1cc(ccc1-c2noc(COC(=O)C)n2)CN(C3C(NCCCC3)=O)S(=O)(=O)c4ccc(cc4)Cl	1289
+c1cc(ccc1C2(CC3CC2CC3)c4ccc(cc4)-c5nc(on5)COC(=O)C)OCc6ncccc6	859
+C(OC(C)=O)C(N1C(c2ccc(C)c(N)c2C=C1)=O)C	0
+C1CCCC(CC1)(O)CC(Nc2c(C)ccc3c2C=CN(C(C)COC(C)=O)C3=O)=O	33
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c3c(C(N(C(C)COC(C)=O)C=C3)=O)ccc2C	33
+FC(F)Oc1c(cc(F)c(c1)N2NC3=C(CCCC3)C2=O)Cl	5854
+n1c(nc2c(CCCC2)c1O)C	3490
+c1(nc(c2c(CCCC2)n1)O)N	3491
+c1cc(ccc1)C2=CCN(CCCc3nc4CCCCc4c(O)n3)CC2	3492
+s1c(C2C(C(=O)O)C2)ccc1CCCC	3
+CC(C)(C)OC(N1C2C(CC(C1C(OCC)=O)C2)O)=O	663
+c1n(c2ncccc2n1)-c3ccc4C(C(OCC)=O)CC(=O)c4c3	3493
+C(N(OC)C)(=O)C1CC1C#N	978
+c1ccccc1C(c2ccccc2)N3CCN(CC3)C(C4CC4C(OCC)=O)=O	10
+c12nn(C)cc1c(ccc2)C3C(CO)C3	44
+C(C1CCC(=CC1)CCCCC)(=O)O	3
+c1ccccc1COC(=O)N2C(C(=O)N)CC(C(OCC)=O)CC2	1827
+C(C1Cc2c3cc(OC)ccc3[nH]c2C1)(=O)NCCC	271
+COc1cc2c3c([nH]c2cc1)CC(C(=O)NC)C3	271
+CC(C)(C)OC(=O)NC(C(=O)N1C(CC)CCC1C(=O)OCC)CC(C)C	478
+C1(CCC(c2cc(F)cnc2)N1)CO	44
+CC(C)(C)OC(=O)N1CC(C(=O)OCC)NCC1	23
+COc1cccc2n(CCF)c3c(C(C(=O)O)CCC3)c12	3
+C1CC(CCC1)Oc2c3c(nc(C)c(C(=O)OCC)c3N)ccc2	979
+C1CC(CCC1Oc2cccc3nc(C)c(C(=O)OCC)c(N)c23)CNC(COC)=O	979
+C1CC(CCN1C(=O)CC)COc2cccc3nc(C)c(C(=O)OCC)c(c23)N	979
+C1CC(CCN1C(C(C)C)=O)Oc2cccc3c2c(N)c(C(=O)OCC)c(C)n3	979
+O=C1CC(C)=NN1c2ccc3CCCc3c2	5855
+CC(C)(COc1cccc2nc(C)c(c(N)c12)C(OCC)=O)C(NCc3cccc(OC)c3)=O	979
+CC(C)(C)CCc1c2c(c(C(=O)OCC)c(nc2ccc1)C)N	979
+CC(C)(C)OC(=O)N1CCCN(c2nc3c(C=C(C(C)=O)C(=O)O3)cc2)CC1	5856
+CC(C)c1c(C(=O)OCC)c([nH]c1)C	5857
+CC(C)C(=O)NC1C(CCCC1)Oc2cccc3c2c(c(C(=O)OCC)c(C)n3)N	979
+Cc1nc2c(c(N)c1C(=O)OCC)c(cs2)-c3cc(ccc3)OC	3494
+Cc1cc(cc(C)c1-c2c(C)nn3c2N=C(C)CC3=O)Cl	1085
+Clc1ccc(c(Cl)c1)C2NC(c3ncccc3F)=NC(C)=C2C(=O)OCC	5858
+Clc1cccc(CCC(=O)CC(OCC)=O)c1	5859
+Clc1cccc(-c2noc(C)c2C(=O)OCC)c1	3495
+FC(F)(F)COc1nn2c(c1)N=C(CC2=O)C	1085
+FC(F)(F)c1cc2c(cc1OC)c(c([nH]2)C(=O)OCC)C	5860
+FC(F)(F)c1cccc(NC(=O)CC(=O)C)c1	3496
+FC(F)(F)c1cccc(c1)NC(=CC(=O)OCC)C	3497
+FC(F)(F)c1cc(N2C(=O)NC(c3ccc(cc3)C#N)C(C(OCC)=O)=C2C)ccc1	3498
+N#Cc1ccnc(c1)N2N=C(CC2=O)C	2472
+c1(cc(O)nc(C)n1)C	3305
+C(C)OC(C1=C(C)N=C(NC1c2ccc(cc2Cl)F)c3nccnc3)=O	5861
+c1(c2c(ccc(c2nc(c1)C)F)F)O	2473
+n12c(cc(C)n1)NC(C)=CC2=O	5862
+C1=CSC2=NC(C)=CC(N12)=O	5863
+C1=C(N=C2N(N=C(S2)SCCCCCC)C1=O)C	5864
+c1(ccc(cc1Br)F)C2NC(c3sc(OC)cn3)=NC(C)=C2C(=O)OCC	5865
+O=S(=O)(Nc1c(ccc(C)c1Cl)Cl)c2nc3n(C(=O)CC(C)=N3)n2	3499
+Cc1nc2scc(C)c2c(N)c1C(=O)OCC	3494
+Clc1cccc(Cl)c1NS(=O)(=O)c2nc3N=C(C)CC(n3n2)=O	3499
+c1(C)[nH]c2ccccc2c1C(=O)OCC	5866
+c1ccccc1C=2c3ccccc3C(=O)N(C=2C=CC(CC(=O)CC(=O)OCC)O)C	1536
+c1cc(ccc1)NC(=O)CC(=O)C	3496
+c1cc(ccc1Cl)-c2c3n(C(=O)CC(=N3)C)nc2-c4c(cccc4)Cl	1085
+c1(nc2ccc(cc2c(c1)O)Br)C	2473
+c1cc(ccc1C(c2ccc(cc2)F)=C(C=CC(O)CC(=O)CC(OCC)=O)c3n(nnn3)C)F	1536
+c1cc(ccc1Cl)C(=O)CC(C(=O)OCC)C(C)=O	3500
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(n3nnnc3)C=CC(CC(=O)CC(OCC)=O)O	1536
+c1cc2nc(C)cc(c2cc1I)O	2473
+c1cc(ccc1CC(C(OCC)=O)C(=O)C)[N+]([O-])=O	1251
+c1cc(ccn1)C(NC2CCC(CC2)COc3cccc4nc(C)c(C(=O)OCC)c(c34)N)=O	979
+c1(C)c(cccc1)NC=C(C(OCC)=O)C(CCC)=O	5867
+C1(=C(CCC)Nc2c(C1c3cccc(C)c3Cl)c[nH]n2)C(=O)OCC	3501
+C1(=C(CCC)Nc2c(C1c3cccc(c3Cl)C#N)c[nH]n2)C(=O)OCC	3501
+C1C(CC1CC#N)C(CC(OCC)=O)=O	3502
+C1COCCC1Nc2c3c(nc(CC)c2CNC(CC(=O)OCC)=O)n(CC)nc3	5868
+C1CC1C(CC(OCC)=O)=O	1914
+C1CCCC1C(CC(OCC)=O)=O	3502
+CC(C)(C)OC(N1CCC(CC1)C(=O)CC(OCC)=O)=O	1914
+CC(C)(C)OC(=O)NC(C(CC(OCC)=O)=O)C	1914
+CC(C)(CCC)CC(CC(OCC)=O)=O	1914
+CC1(C)NC=2N(C(=O)CC(=O)N=2)CC1	5869
+FC(F)(F)COc1cc(C(=O)CC(OCC)=O)ccc1Cl	980
+c1(F)cccc(F)c1C(=O)CC(OCC)=O	980
+C(C(c1cc(F)c(cc1F)C=2CCN(C(C)=O)CC=2)=O)C(OCC)=O	980
+c1(cc(c(c(C)c1F)Br)F)C(CC(OCC)=O)=O	980
+C(OC(CC(c1c(c(c(c(c1)C)F)[N+]([O-])=O)Cl)=O)=O)C	980
+C(OC(CC(c1ccc(Br)c(C)c1F)=O)=O)C	980
+c1c(F)c(cc(C(=O)CC(OCC)=O)c1)OCC	980
+c1c(cc(c(c1)C(CC(OCC)=O)=O)C)Br	5870
+c1ccccc1-c2ccc(cc2)NC(=O)CC(=O)OCC	3503
+c1cc(ccc1NC(=O)C)C(=O)CC(OCC)=O	980
+FC(F)(F)c1ccc(cc1)-c2nc(c(C)s2)CC(OCC)=O	5871
+c1cc(ccc1-c2nc(c(o2)C)CC(OCC)=O)F	3320
+C(C(C)(CCO)O)CCCCC	44
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(N4C=CC(=O)NC4=O)CC(=O)OCC	604
+N(C(CCC)CC(OCC)=O)c1cc(C)ccc1[N+]([O-])=O	60
+c1c(OC)ccc2c(c(C(CC(=O)O)CCCC)sc12)C	3
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(=O)CC(c3cc(-n4cnnn4)ccc3)=O)=O	3504
+c1(C(NC(C)=O)CC(OCC)=O)cccc(F)c1	68
+c1ccccc1C(CC)C(NC(CC(OCC)=O)c2cc(ccc2)[N+](=O)[O-])=O	68
+c1cc(ccc1)C(NC(c2cc([N+]([O-])=O)ccc2)CC(=O)OCC)=O	93
+c1(c2NC(=CC(=O)n2nc1N)c3cc(F)ccc3)-c4ncccc4	1915
+c1ccc2c(sc(n2)N3NC(c4cccc(I)c4)=CC3=O)c1	1916
+C1CC(CCC1c2c3c(ncc2)ccc(F)c3)CC(=O)OCC	191
+C1C(CC(=O)O)CC(C)CC1	3
+CCOC(OCC)COc1cc2c(C(CC(=O)OCC)CC2)cc1	8
+C(OC(CC1c2c(cc(cc2)OCCc3nc(Cl)ccc3)CC1)=O)C	126
+FC(F)(F)c1c(nc(NCCCOc2ccc3c(CCC3CC(OCC)=O)c2)cc1)Cl	126
+C(OC(CC1c2c(cc(cc2)OCCCNc3nc(Cl)ncc3C)CC1)=O)C	20
+c1cc(ccc1)-c2oc(c(C)n2)CCOc3ccc4c(CCC4CC(OCC)=O)c3	20
+C(OC(CC1c2c(CC1)cc(cc2)O)=O)C	5
+CCOC(CC1CCc2cc(OCCCOc3ccc(-c4nc(co4)CC)cc3OC)ccc12)=O	8
+CCOC(CC1CCc2cc(OCCCOc3ccc(cc3OC)C#N)ccc12)=O	8
+C(OC(CC1c2c(cc(cc2)OCCCN(CCC)c3c(C)cnc(Cl)n3)CC1)=O)C	3505
+c1cc(c(C)nc1C)OCCOc2cc3CCC(CC(=O)OCC)c3cc2	981
+c1cc(ccc1OC)CNc2cccc(C#CCCC(=O)OCCCC)n2	769
+C1COC(O1)(CCC(OCC)=O)C	381
+CC(C)(CC)NN=C(CCC(OCCCC)=O)C	3506
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cc(-c3c(cccc3NC(CCC(OCC)=O)=O)C)ccc2)c(SC)s1	26
+C(C(c1c(ccc(C)c1)OC)=O)CC(OCC)=O	94
+C(CC(=O)O)C(c1cccc2OCOc12)CCCCC	3
+O(CC)C(=O)C(C=O)CC1=CC(=O)N(CCCC)C=C1	5872
+CC(C)(C)[Si](C)(C)OC(C=CC1CCC2C1CC(C(O)(C)CCCC(=O)OCC)C2=O)C3CCCCC3	5873
+C(C(OCC)=O)(CCC)C(=O)C(=O)OCC	5874
+O(C(CCCCN(C1c2ccc(nc2CCC1)C#N)CCc3ccccc3OC)=O)CC	28
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(OCC)=O	28
+CC(C)(C)OC(NCc1ccc(F)cc1OCCCCC(OCC)=O)=O	8
+CC(C)(C)OC(NCc1c(c2c(ccc(OCCCCC(OCC)=O)c2)nc1CC(C)C)-c3ccc(cc3)C)=O	8
+c1cc(ccc1OCCCCC(=O)OCC)-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2	8
+CC(C)c1n(CCCCC(OCC)=O)c2ccccc2n1	656
+O(C(CCCCOc1c(c(OC)c(cc1)OC)C=O)=O)CC	8
+c1c(Cl)c(c(cc1)Cl)S(=O)(=O)N(C)CCCCC(OCC)=O	831
+O(C(CCCCN1c2ccccc2CCC1)=O)CC	936
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCC(=O)OCC	5875
+C(CC)CC(CCCC)C(=O)OCC	1917
+c1cc(ccc1C)-c2nc3c(nc2-c4ccc(cc4)C)CCCN3CCCCCC(OCC)=O	1821
+CC1(C)c2cc(ccc2N=C1C)OCCCCCC(=O)OCC	8
+c1ccccc1C(c2ccccc2)NCCCCCC(=O)OCC	132
+c1cc(ccc1-c2nc3N(CCCCCCC(=O)OCC)CCCc3nc2-c4ccc(cc4)C)C	1821
+c1cc(ccc1-c2c(-c3ccccc3)nc4c(CCCN4CCCCCCC(OCC)=O)n2)C	1821
+O=S(=O)(OCCCCCC(=O)OCC)C	7
+O(C(=O)CCCN(Cc1ccc2ccoc2c1)C(C3(C)CCN3C(=O)Cc4c5c(cccc5)sc4)=O)CC	10
+c1cc(cc(C#N)c1OCC2CO2)CCCC(OCC)=O	3507
+C(OC(CCCc1ccc(O)c(C#N)c1)=O)C	180
+c1nnnn1CCCC(=O)O	3
+N(C)C(CCc1c(Br)cccc1Cl)=O	271
+CC(C)(C)Cc1nc(COc2cc(cc(c2)OC)CCC(=O)OCC)ccc1-c3cc(ccc3F)OC	412
+O=S(=O)(OCC(c1cc(CCC(OCC)=O)cc(c1F)F)O)c2ccc(cc2)C	36
+CC(C)(CC1Cc2c(C1)cccc2)NCC(c3c(F)c(F)cc(c3)CCC(OCC)=O)O	1918
+C(OC(CCc1cc(c(Nc2ccc([N+]([O-])=O)cn2)cc1)OC)=O)C	201
+c1(c(cc(CCC(OCC)=O)cc1)OC)N(C)c2ncc([N+]([O-])=O)cc2	1121
+FC(F)(F)S(=O)(=O)Oc1cc(cc(c1F)F)CCC(OCC)=O	166
+c1c(cccc1CCCO)O	44
+O(CC)C(=O)C(Cc1cc(ccc1)OC)C=O	2474
+C(OC(CCc1cc2c([nH]1)c(cc(C#N)c2)F)=O)C	180
+c1(c(C)c(c(c(C)c1-c2cc(CNc3cc(c(cc3)CCC(OCC)=O)F)ccc2)C)OCCOCC)C	208
+Cc1cc(cc(C)c1-c2cc(CNc3cc(c(cc3)CCC(OCC)=O)F)ccc2)OCCOCC	208
+c1ccccc1Oc2ccc(cc2)COc3ccc(cc3F)CCC(=O)OCC	657
+FC(F)(F)c1cnc(Oc2cc(OCCOC)ccc2CCC(=O)OCC)c(Cl)c1	136
+c1cc(ccc1C(O)CCC)COc2ccc(c(F)c2)CCC(=O)OCC	657
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(CCC(=O)OCC)ccc(c2)OCOC	136
+O(CC)C(=O)C(Cc1ccc(nc1)OC)C=O	2474
+C(OC(CCc1ccc(Br)n1-c2ccc(C#N)cc2C)=O)C	653
+c1c2c3CN(C)CCc3n(CCC(=O)O)c2ccc1C	3
+c1cc(CCN(C)CC(=O)O)c(cc1F)[N+]([O-])=O	3
+CN(CC(=O)O)c1n[nH]c2ccc([N+]([O-])=O)cc12	3
+FC(F)(F)c1cnc(-n2nc(c(c2)CCCOc3c(cnn3CC(OCC)=O)CC)C(C)C)cc1	5876
+N(C)C(CN1C(=O)C=C(C=C1)n2cc(nc2C)C#Cc3cccc(C)c3)=O	271
+c1ccccc1CC(N=C2NC=CN(CC(OCC)=O)C2=O)CN=[N+]=[N-]	5877
+C1CC(C)N(CCO)CC1	44
+C1CC(CCC1)N2C(N(C3CCCC3)C(C(C(NCC(=O)OCC)=O)C2=O)=O)=O	1537
+CC(C)(C)N1C(=O)C(C(=O)N(Cc2c(cccc2)Br)C1=O)C(NCC(=O)OCC)=O	1537
+CC(C)(C)c1ccc(cc1)CN2C(C(C(N(C3CCCCC3)C2=O)=O)C(=O)NCC(=O)OCC)=O	1537
+CC(C)(C)c1c(cccc1)N2CCN(CC2)C(NCC(OCC)=O)=O	3508
+CC(C)CN1C(=O)C(C(=O)N(CC(C)C)C1=O)C(NCC(=O)OCC)=O	1537
+CC(C)N1C(=O)C(C(=O)N(C(C)C)C1=O)C(NCC(=O)OCC)=O	1537
+C1C(N(CC1)CC(=O)NCC(=O)NC)=O	271
+N1C(=O)CNc2c1cccc2F	1290
+COc1c(cc(I)c(Cl)c1)NCC(=O)O	3
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(NCC(OCC)=O)c2[N+](=O)[O-])=O	54
+C(O)c1cc(Cl)c(OCC(=O)O)cc1OC	3
+c1ccccc1-n2ccc(CN3CCN(c4c(OCC(=O)OCC)c(cc5cccnc45)C)CCC3)n2	315
+C1c2c(CN1CC(CNC(COc3c4c(ccc3)OCCN4C)=O)O)cccc2	271
+c1cc(OCC(=O)O)cc2N(CCc12)c3c4CSCc4nc(Cl)n3	3
+C(OC(COc1cc2N(CCc2cc1)c3c4CSCc4nc(Cl)n3)=O)C	860
+c1ccc(I)cc1OCC(=O)O	3
+c1c(cc(C(Nc2cccc(OCC(OCC)=O)c2)=O)c(F)c1)Br	67
+c1ccc(NC(C)=O)cc1OCC(=O)O	3
+c1cc(ccc1)C(c2ccccc2)C=3C=CC(=O)N(CCCc4cc(ccc4)OCC(OCC)=O)C=3	5878
+O=S(=O)(C)OCCCc1cccc(OCC(OCC)=O)c1	7
+C(OC(COc1c2N(CCOc2ccc1)C)=O)C	15
+O=S(=O)(Nc1ccc2n(CC(OCC)=O)c(cc2c1)C)C	80
+C(OC(Cn1c(cc2cc(N)ccc12)C)=O)C	0
+C1CCCCC1S(=O)(=O)c2ccccc2Cc3c(n(CC(OCC)=O)c4ccc(cc34)F)C	1919
+FC(F)(F)Oc1ccc(cc1)-c2nn(c(c2)CCOc3ccc4c(n(CC(=O)OCC)cc4)c3)C	1520
+FC(F)(F)Oc1ccc(cc1)-c2nn(c(c2)CCCOc3ccc4c(c3)n(CC(=O)OCC)cc4)C	1520
+FC(F)(F)Oc1cccc(C#CCCCOc2ccc3ccn(CC(=O)OCC)c3c2)c1	126
+FC(F)(F)c1ccc(cc1)-c2nn(c(COc3ccc4ccn(CC(=O)OCC)c4c3)c2C)C	1538
+FC(F)(F)c1ccc(cc1)-c2cc(n(n2)C)CCOc3cc4c(cc3)ccn4CC(=O)OCC	126
+FC(F)(F)c1ccc(cc1)-c2cc(n(C)n2)COc3cc4n(CC(=O)OCC)ccc4cc3	1538
+FC(F)(F)c1ccc(cc1)C#CCCCOc2cc3c(cc2)ccn3CC(=O)OCC	126
+C(Cn1c2c(cccc2C#N)cc1)(=O)O	3
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2c3n(CC(OCC)=O)ccc3ccc2	1920
+C(OC(N(CCCC)CCCl)=O)C	723
+C1CN(CCC1)Cc2cc(OCC=CCNC(CS(=O)CCNC(=O)OCC)=O)ccc2	1475
+C(OC(=O)Nc1c2ccc(cc2sc1)OC)C	1539
+C(OC(Nc1c(C(=O)O)sc2cc(OC)ccc12)=O)C	1
+C1CN(CCN1c2ccc(cc2)OC)C(Nc3c(nc4c(cc(C)cc4)n3)OC)=O	2475
+C1CN(CCN1C(Nc2c(nc3c(ccc(F)c3)n2)OC)=O)c4cc(ccc4)C	2475
+C1CN(CCN1c2ccccc2OC)C(=O)Nc3nc4ccc(cc4nc3OC)F	2475
+n1c(N)nn2cc(Oc3cc(C)cc(NC(c4cc(nn4C)C)=O)c3)ccc12	982
+n1c(nn2c(Br)cc(C)cc12)N	982
+C(C=O)#CCCCCCl	5879
+CCOC(OCC)c1nc2c(n1C)nccc2	5880
+CC(C)(C)OC(NC(c1sccn1)Cc2ccccc2)=O	3509
+C(C)OC(OCC)COc1cc(Cl)c(c(Cl)c1)OCc2ccccc2Cl	8
+c1(c2n(ccc1)ccn2)C(=O)O	3510
+n12cc(cc(C)c1ncc2)Br	3510
+CCOC(OCC)COc1c(cc(Cl)c(-c2nc(N)nc3c2cc(C(NCC)=O)s3)c1)Cl	8
+C(C)OC(OCC)COC(COCc1ccccc1)CC=C	176
+c1cc(ccc1[N+]([O-])=O)C(c2sccn2)c3ccc(cc3)Cl	3509
+CCOC(OCC)COc1ccc(cc1)C	8
+c1cc(ccc1Cl)OCC(OCC)OCC	8
+c1cc(ccc1O)-c2ccc(cc2)OCC(OCC)OCC	8
+O(CC)C(OCC)CSc1ccccc1C	636
+CCOC(OCC)COc1ccc(cc1)Oc2ccccc2	8
+n1cc(n2c(ncc2)c1Br)Br	5881
+Clc1cc(cc(Cl)c1OCCCCOCC(OCC)OCC)OCC=C(Cl)Cl	20
+c1cc(ccc1)C(Oc2cc(CC)c(c(c2)CC)OCCCCOCC(OCC)OCC)=O	20
+OP(O)CC(CN)c1ccc(cc1)OC	5882
+c1(C)cc(nc(SCCCCCC)n1)C=O	1921
+c1cc(ccc1C2C(c3c4c(c(O)nn3)cccc4N2)c5ccc(cc5)F)C(OCC)OCC	5883
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)C(OCC)OCC	23
+CCC(c1c(c2c(c(ccc2)OC)nc1)O)=O	5884
+O=C(O)C(C(C)O)CCCC=C	4
+c1cc(ccc1-c2ccc(cc2)COC)C(N(C)C(C(OC)=O)C(NC)=O)=O	5885
+CCC(CC)C(=O)Nc1cc2c(N=CN3C(=O)C(C(OC)=O)=CN=C23)cc1	5886
+c1cc(ccc1)[Si](c2ccccc2)(OCCC3(C(C(=O)OC)(C(=O)OC)C3)c4cc(Cl)c(Cl)cc4)C(C)(C)C	5887
+c1c(CC(OC)=O)c([N+]([O-])=O)c(F)cc1	1540
+O=S(=O)(C)OCCC1(C(=O)N2CC=CC(C(OC)=O)N2C1=O)C	7
+COC1CC(C(OC)=O)COC1	1541
+C1c2c(cc(c(OC)c2)F)CCC1C(=O)O	4
+C1CC1C(=O)Nc2nccc(c2)Oc3c(F)cc4c(CC(C(OC)=O)CC4)c3	3511
+FC(F)(F)S(=O)(=O)Oc1ccc2c(c1)CC(CC2)C(OC)=O	166
+C1CC(CCC1)CC2C(OC)=CC(O2)=O	5888
+FC(F)(F)c1cccc(c1C)Cc2c3n(nc2N)C(=O)CC(=O)N3	5889
+C(c1cc2c(nc1O)cc(nc2)Cl)(=O)OC	5890
+c12nc(O)c(cc1cc(OC)c(OC)c2)C(OC)=O	3512
+COC(=O)C(C(OC)=O)c1c(cc(-c2cc(OCC)ccc2)cc1)[N+]([O-])=O	1266
+O(C(=O)C(C(OC)=O)c1ccc([N+](=O)[O-])cc1F)C	1266
+COC(=O)C(C(=O)OC)c1nc(nc(c1SC)OC)OC	5891
+c1cc(ccc1OCCOc2cc3CCCCc3cc2)C=C(C(OC)=O)C(OC)=O	5892
+c1ccccc1COc2c(cc3nc(c(C(OC)=O)cc3c2)O)OC	3512
+O=S(=O)(C)OCC1C(C1)(NC(=O)OC)c2cc(ccc2)[N+]([O-])=O	7
+C(c1ccc(cc1Cl)NC(OC)=O)Br	29
+CC(C)Nc1c(sc(c1)-c2ccccc2)C(OC)=O	5893
+c1c(cc2c(c(cnc2c1)C(=O)OCC)NCC(C)OC)Br	105
+c1cc(ccc1-c2c(C)c3c(N(C)C(=O)N(CCC(OC)=O)C3=O)s2)Cl	268
+C(CC(=O)O)c1cccc(F)c1	4
+Nc1ncc(CCC(=O)OC)nc1Br	439
+CC(C)(C)OC(=O)Nc1cn2c(ncc2cc1)C(=O)c3cc(c([N+](=O)[O-])cc3)C(OC)=O	1291
+C(OC)(c1ccccc1-c2ccc(CNc3nccc(c3[N+](=O)[O-])C)nc2)=O	70
+C(OC)(c1ccccc1-c2ccc(CN)nc2)=O	18
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)COc3cc4OC5=CC(C=CC5=C(c6c(cccc6)C(OC)=O)c4cc3)=O	22
+O=C(O)c1cn2c(c(ncn2)C3c4c(NC3=O)cccc4)c1C	1
+N(C(c1nc(c(nc1N)N)Cl)=O)CCN	2476
+Nc1ncc(Br)nc1C(=O)OC	439
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)Nc2c(nccn2)C(=O)OC)Cl	3513
+c1c(c(ccc1Br)F)C(Nc2c(C(OC)=O)nccn2)=O	1542
+c1cc(ccc1C(=O)Nc2c(C(=O)OC)nccn2)Cl	1542
+c12c(ccc(OC)c1CC=O)cccc2	1292
+COCC(COC)(NC(=O)c1sc(cc1)Cl)C(Nc2ccc3CCN(CCc3c2)C)=O	33
+C(OC)C(COC)(NC(=O)c1ccc(Cl)s1)CO	1256
+C(OC)C(COC)(C(=O)O)NC(=O)c1sc(Cl)cc1	5894
+C(O)C(Oc1cc(C(Nc2ccn(C)n2)=O)cc(O)c1)C	88
+C1N(CC1)C(=O)c2cnc(cc2)Oc3cc(C(Nc4nn(C)cc4)=O)cc(OC(C)COC)c3	136
+CN(C)S(=O)(=O)c1ccc(Oc2cc(cc(C(=O)Nc3nn(C)cc3)c2)OC(C)COC)c(c1)Cl	46
+c1(cc(Oc2sc3C(NCCCc3n2)=O)cc(OC(COC)C)c1)C(=O)Nc4ccn(C)n4	5895
+c1cc(ccc1Oc2cc(cc(c2)OC(C)COC)C(=O)Nc3nn(C)cc3)C#N	46
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(OC(C)COC)cc(C(=O)Nc4cnc(cn4)C)c3	706
+O=S1(=O)CCCOc2c1ccc(Oc3cc(cc(OC(C)COC)c3)C(=O)Nc4cnc(cn4)C)c2	46
+C(O)C(Oc1cc(cc(O)c1)C(=O)OC)C	88
+c1(O)nnc(c2ccc(OC)cc12)COC	1922
+O=S(=O)(c1ccc2c(C(C(N2)=O)=O)c1)N3CCCC3COC	92
+c1(C)cc(C#N)cnc1N2CCCC2COC	361
+C(OC)C1N(c2cccc([N+]([O-])=O)c2)CCC1	79
+CC(C)(C)OC(=O)NC1CCCCC1CN2CC(COC)CCC2	61
+c1cc(Nc2nc(-c3cccc(C(=O)OC)c3)nc4scnc24)cc(N5CCCC5COC)c1	261
+C(OC)C1N(c2cc(ccc2)Nc3nc(nc4c3ncs4)Cl)CCC1	5896
+C(OC)C1N(c2cccc(N)c2)CCC1	0
+c1(C)cc(N)c2c(CC(COC)O2)c1Br	38
+C(OC)C1Oc2c(N)cc(C)cc2C1	0
+C1C2CC3CC(CC1C3(CCOC)C(OC)=O)C2	1232
+C1CC(CCN1Cc2ccccc2)(CCOC)C(=O)OCC	1232
+C1CC1COc2c(C#N)cc(-c3ccnc(c3)Nc4cn(CCOC)nc4)cc2	338
+C1CCCC(n2c3ccc(cc3c(C=O)n2)OCCOC)O1	8
+C1CCCC1(CCOC)C(=O)OC	1232
+c1cc2CCCN(c2cc1CO)CCOC	936
+C1N(CC1Oc2ncc(cc2)-c3cccc(OCCOC)c3)C(Nc4cnccc4)=O	8
+c1(ccc(NC(C)=O)cc1-c2ccnn2C)OCCOC	8
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3ncnc(OC4CCN(CC4)CCOC)c3	28
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cc(-c3ccc(cc3)OCCOC)cc(c2C)C(OC)=O)CCC	8
+CC(C)(C)c1cc(C(=O)OC)cc(OCCOC)c1	8
+n1c(C)cc(C(OCC)=O)n1CCOC	338
+C[Si](C)(C)CCOCn1cc(-c2ccc(cc2)Br)nc1C3N(CC(C3)OCCOC)C(=O)OC(C)(C)C	176
+FC(F)(F)C(=O)c1cn(c2c1c(ccc2)Cl)CCOC	339
+FC(F)(F)c1cc(I)cc(OCCOC)c1	8
+c1(C(=O)OC)cc(Cl)c(N)cc1OCCOC	8
+O=Cc1cc(Br)c(OCCOC)c(c1)OC	8
+O=S(=O)(c1ccc(C(OC)=O)c(c1OCCOC)C)C	8
+c1(OCCOC)cccc(C(=O)OC)c1OC	8
+Clc1cnc(c(c1)OCCOC)[N+]([O-])=O	458
+O(C)CCOc1cccc([N+]([O-])=O)c1	8
+c1cc(c(c(F)c1OCCOC)C#N)I	8
+c1(nc2ccc(OCCOC)cc2[n+]([O-])n1)N	8
+c12n(CCOC)ccc1c(C)ccc2F	339
+c1c(OCCOC)c(cc(C#N)c1)OC	8
+O(C)CCOc1cccc(CO)c1	8
+c1cc(cc(Br)c1OC)OCCOC	8
+c1c(OCCOC)c(cc(c1)C(=O)OC)OC	8
+c1cc(N2C(CCC2)c3cc(cc(F)c3)OCCOC)nc4c(cnn14)C(=O)OCC	8
+c1cc(ccc1-c2c(C#N)c3c(n2CC)cc(cc3)OC)OCCOC	8
+CC(C)c1ccc(cc1)-c2nc3c(c(ccc3Br)OC)n2CCOC	656
+c1cc(ccc1C#N)-c2nnn(Cc3cc(C(Nc4sc5CC(CCc5n4)NCCOC)=O)ccc3)c2	132
+c1cc(ccc1C=O)OCCOC	8
+c1cc(N)c(cc1)SCCOC	636
+c1c(OCOC)ccc(n1)OCCOC	1923
+O(CCN1Cc2n(CC1)nc([N+]([O-])=O)c2)C	28
+C(OC)CC(N=C=S)C	5897
+C1C(CO1)(C)c2nc(-c3c(F)cc(cc3)F)c(-c4ccc5nc(oc5n4)NC(CCOC)C)[nH]2	3514
+c1cc(C)cc(c1OCCCOC)OC	8
+C(OC)CCOc1c(c(F)cc(c1)Br)F	8
+c1(C=O)cc(OCCCOC)c(cc1)OC	8
+C(OC)CCOc1ccc(c(CCO)c1)Br	8
+c1cc(cc(OCCCOC)c1OC)C(=O)OC	8
+C1CCN(C(=O)CCCO)c2cccc(Br)c12	88
+c1cc(ccc1C#CCCCCCOC)C2CC(CC2)(N)C(=O)OC	197
+CC(C)(C)OC(N1CC(CCC1)C(c2cccc(c2)Cl)(CCCCOC)O)=O	5898
+O(C)CCCCNc1cccc(Cl)c1-c2cccc(c2)CC	250
+[n+]1([O-])c(C)cc(cc1)OCCCCOC	857
+CC(C)(C)OC(=O)N1CCCC(C1)C(CCCCOC)(O)c2ccccc2Oc3ccccc3	5899
+c1(cc(ccc1)CCCCOC)C=O	146
+c1cc(C)cc(OCCCOC)c1OCC	72
+C(OC)CCOc1cc(Br)cnc1O	788
+C(OC)CCNC(c1cnc(-n2ncc(c2OC)-c3cc(C)c(cc3)C#N)cc1)=O	1122
+c1c(C2C=NN(C2=O)c3ccc(cn3)C(NCCCOC)=O)cc(C)c(c1)C#N	2477
+C(OC)CCNC(c1cnc(-n2ncc(Br)c2OC)cc1)=O	3515
+C(OC)CCNC(c1cnc(-n2ncc(c2OC)C(=O)O)cc1)=O	6
+C(OC)CCNC(c1cnc(-n2ncc(c2OC)C(=O)OCC)cc1)=O	3516
+C(OC)CCOc1c(OC)cc(C)c(c1)C(=O)O	789
+CC(C)C(Cc1cc(F)c(F)c(c1)OCCCOC)=O	3517
+O(C)CCCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2	602
+C(OC)CCOc1c(c(ncc1)CCl)C	512
+C(OC)CCOc1c(c(ncc1)CO)C	59
+C(OC)CCOc1c(OC)ncc(c1)Br	766
+FC(F)(F)S(=O)(=O)Oc1ccc(CCC(OCC)=O)cc1OCCCOC	376
+C(OC)CCOc1c(OC)cc(C)c(C=O)c1	146
+C(OC)CCOc1cc[n+](c(COC(C)=O)c1C)[O-]	983
+C(OC)CCOc1c(c(ncc1)COC(C)=O)C	174
+CC(C)[Si](C(C)C)(C(C)C)OCCc1cc(OCCCOC)ccc1Br	19
+c1c(c(c(cc1C(=O)OC)CCCO)C)Br	88
+O(C)CCCn1cccc1C=Cc2c(cccc2)Cl	5900
+c12nc(ncc1N(C(CCN2CCOC)=O)C)Nc3c(cc(C(=O)O)cc3)OC	55
+N1(C(=O)CN(c2ccc([N+]([O-])=O)cc2F)CC1)CCOC	3518
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2onc(n2)CN(CCOC)C)=O	3519
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(C)CCOC	468
+CC(C)(C)OC(NC(C(=O)OC)CCN(C)CCOC)=O	183
+CC(C)(C)OC(=O)Nc1c([N+](=O)[O-])cc(c(N(CCOC)C)c1)Cl	202
+c1ccccc1-c2ccc(cn2)-c3n(c(nn3)N(C)CCOC)-c4c(Br)cccc4	3520
+O=S(=O)(C)N(C)c1cc(C(O)=O)cc(N(CCOC)CC2C(C)C2)n1	43
+O(CCOC)c1cc(C(C#N)C(=O)C)ccc1OCCOC	1260
+C(OC)COc1c(OCCOC)cc(cc1)CC#N	177
+FC1(F)C(CC(CNC(=O)c2cc(n3cccc(Cl)c23)CCOC)CC1)C	56
+FC1(F)CCCC(C1)CNC(=O)c2cc(n3cccc(Cl)c23)CCOC	56
+C(OCC)(Cc1cc(ccc1)OCOC)=O	175
+C12CC3CC(C1)CC(C2)(C3)c4cc(cc(c4OCOC)C(c5ccccc5)=O)Br	175
+C1CCC1(OCOC)c2nccs2	433
+C1C(CN1C(CCOCCc2ccc3c(ccs3)c2)=O)OCOC	433
+C1CC(c2c1c(OCOC)ccc2)=O	175
+CC(C)(C)OC(CC(COCOC)NC(OCc1ccccc1)=O)=O	433
+CC(C)(C)OC(=O)N(CCC(=O)OC)C(CC(N(C1CC1)Cc2cccc(c2Cl)Cl)=O)COCOC	433
+CC(C)(C)OC(c1ccc(cc1NC(c2cc(ccc2OCOC)C)=O)-c3ccccc3)=O	175
+CC(C)(C)[Si](C)(C)OC1C=C(C(OCOC)(C)C1)CC=C	3521
+CC(C)(C)[Si](C)(C)Oc1ccc(Br)c(c1)COCOC	433
+CC1(C)c2cc(c(OCOC)cc2C(C)(C)CC1)C(CC)=O	175
+CN(C)c1cc(C=O)ccc1OCOC	175
+C(OCc1nc(OC)ccc1Br)OC	433
+FC(F)(F)C(=O)N1CCc2c(ccc(CCl)c2)CC1	3522
+FC(F)(F)c1c(ccc(S(=O)(=O)N(c2c(ncc(c2)C)Br)COC)c1)Cl	2478
+O=Cc1cc(cc(OC)c1OCOC)Br	175
+c1c(c2c(C)cccc2c(c1)C=O)OCOC	175
+O=Cc1ccc(cc1O)OCOC	175
+O=Cc1ccccc1OCOC	175
+O=S(=O)(c1cc(c(Cl)cc1)C)N(c2c(ncc(c2)Cl)Br)COC	2478
+O=S(=O)(N(COC)c1c(ncc(c1)Cl)Br)c2cc(c(cc2)Cl)CC	2478
+S(c1cc(F)c(cc1C)CCl)C	3522
+c1(c(C)c2SC(CCCO)Oc2c(c1C)C)OCOC	175
+c1(Br)cc(cc(Br)c1)OCOC	175
+c1(C=O)cc(C)c(cc1)OCOC	175
+C(Oc1ccccc1C(C)=O)OC	175
+O(COC)Cc1c(cc(c(c1OC)OC)OC)[N+](=O)[O-]	433
+c1ccc([N+]([O-])=O)cc1OCOC	175
+C1Oc2c(c(F)c(OCOC)cc2CC1)F	175
+c1(c(c(OCOC)ccc1)C)Br	175
+c1c(c(c2c(cc(OC)cc2)c1)Br)OCOC	175
+COc1c(OCOC)c(ccc1O)Br	175
+c1(cc(cc(C)c1Br)OCOC)C	175
+c1cc(cc(c1C(=O)C)O)OCOC	175
+c1c(c2c(OCOC)c(Cl)cc(C=O)c2cc1)CC	175
+c1c2c(c(c(Br)c(C)c2)OCOC)ccc1OC	175
+c1cc(c2c(c(F)ccc2)c1)OCOC	175
+c1cc(ccc1)C(Oc2cc(Cl)c(OCOC)c(C)c2)=O	175
+c1cc(ccc1)COc2ncc(OCOC)cc2	5901
+c1cc(ccc1-c2oc3c(cc(c(N(c4cc(Cl)c(cc4)C(OCOC)C=C)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	3521
+c1cc(ccc1Br)OCOC	175
+c1cc(ccc1-c2ccc(C=O)nc2)COCOC	433
+c1cc(ccc1Cl)-c2c(c3sc(cc3n2COC)C(=O)OC)C4CCCCC4	5902
+c1cc(nc2c([N+](=O)[O-])c(OCOC)ccc12)C	175
+c1c2ccc(OCOC)c(C#N)c2nc(C)c1	175
+c1cc(ccc1)COc2ccc(cc2OCOC)C=O	175
+c1cc(ccc1-c2cc(OCOC)no2)OCc3ccccc3	5903
+CC(C)c1c(c2ccc(cc2n1Cc3ccccc3)OCOC)C(NCc4cc(F)c(cc4)F)=O	175
+O=C(OC)N1CC(C(C1)OCC)Nc2nc(c(nc2CC)I)CC	5904
+C(OCC(N1Cc2ccc(cc2CC1)C(NOC3OCCCC3)=O)=O)COC	10
+CC(C)(C)c1c(OC)c(N2CCN(CC2)C(=O)COC(=O)C)cc(Br)c1	58
+CC(C)(c1cccc(c1)C(Nc2cc(Oc3nc4c(nc(NC(=O)COC(C)=O)s4)cc3)c(CC)cc2)=O)C#N	290
+CC(C)n1c(cnc1C)-c2nc(ncc2)Nc3ccc(cc3)N4CCN(CC4)C(=O)COC(=O)C	58
+FC(F)(F)CCCn1c2c(cc(C#N)cc2)nc1COC(C)=O	849
+FC(F)(F)c1c(C#N)cc(NC(=O)COC(C)=O)cc1	26
+c1c(OC)ccc2nc(NC(COC(C)=O)=O)sc12	290
+c1cc(ccc1F)-n2ncc3cc(c(C)cc23)OC(C(NC(COC(=O)C)=O)C)c4cccc(OC)c4	68
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3CCN(CC3)C(=O)COC(=O)C	58
+C(OCC(N1Cc2ccc(cc2CC1)C(NO)=O)=O)COC	5905
+c1cc(ccc1C)S(=O)(=O)OCC(OCCCCCCCC)COCCCCCCCC	36
+C(CCC)(c1c(c2cccc(C(=O)C)c2nc1)O)=O	3523
+CC(C)(C)OC(=O)N(C)c1ncnc(-n2ncc(C(OCC)=O)c2N)c1	5906
+FC(F)(F)c1cc(F)c(c(Cl)c1)-n2c(c(cn2)C(OCC)=O)N	1924
+CCOC(c1c(N)n(C)nc1)=O	3480
+c1c(ccc(c1F)-n2c(c(cn2)C(=O)OCC)N)F	1924
+c1(CCCC(=O)OC)cc2c(c(C#N)cnc2s1)O	5907
+c1cc(ccc1F)-n2ncc(C(=O)OCC)c2N	1924
+c1cc(ccc1OC)-n2ncc(c2N)C(=O)OCC	1924
+c1(CC(c2c(ccc(OC)c2F)OC)=O)cccc(c1)OC	5908
+C(C)OC(c1c(c2c(c(I)ccc2)nc1)O)=O	1861
+C(=O)(OCC)C(C(=O)OCC)c1nc(sc1)N	5909
+C1(=O)NC(NC(=O)C1CCCCCCCCCC)=O	3524
+C(Cc1ccc(OC)cc1[N+]([O-])=O)(OCC)=O	976
+c1cc(ccc1Cn2nccc2)Oc3ccc(cn3)N4C(C(OCC)=O)(C(OCC)=O)CCC4=O	309
+Oc1nc(c2ccsc2n1)-c3c(cccc3)F	5910
+O=S(=O)(C)OCCN(C)C(=O)OCC	7
+C1CC1c2cc(Br)c(NC(NC(=O)OCC)=S)nc2	1123
+CC(C)(C)OC(Nc1cc(Oc2cnc(cc2)NC(NC(OCC)=O)=S)ccc1C)=O	1123
+C(OC(=O)NC(Nc1cc(C)cc(Br)n1)=S)C	1123
+FC(F)(F)c1cccc(-c2c(c(cn3nc(N=C=S)nc23)Br)C)c1	5911
+CCOC(=O)NC(Nc1c(Br)cccn1)=S	1123
+CCOC(=O)NC(Nc1c(O)cccn1)=S	1123
+C(OC(=O)NC(Nc1ccc(Oc2cc(C)cc(NC(c3cc(nn3C)C)=O)c2)cn1)=S)C	1123
+c1cc(ccc1-c2c(nccc2)NC(NC(=O)OCC)=S)F	1123
+C1(C(CCCC1)NC)O	1925
+C1CN(CCN1c2ccccc2OC)CCN3C(c4c5CN(Cc5sc4N=C3)C(OCC)=O)=O	3435
+C(C)OC(=O)C1=NN(c2c(F)ccc(c2)F)C(C1)=O	5912
+C(c1c(O)c2c(nc1)cc(c(OC)c2)OC)#N	5913
+C(CC1=CC(Oc2cc(ccc12)O)=O)(N)=O	5914
+c12c3c(cccc3)ncc1nc(CCC)n2CCC(OCC)=O	730
+C(OCC)(CCNc1c(cnc2ccccc12)N)=O	13
+FC(F)(F)COc1c(cc(cc1Cl)CC(OCC)=O)Br	3525
+C(c1cc(C)c(-c2cc(ncc2)C)nc1)C(=O)O	3
+C(c1cccc(CC(=O)OCC)c1)Br	29
+C(C(Cc1cc(C)ccc1)=O)C#N	2479
+C(OCC)(Cc1cc(c(C)cc1)O)=O	5
+c1c(OC)c(ccc1CCO)C#N	44
+Cc1cccc(C)c1COc2cc(CC(=O)OCC)ccc2C	139
+O=S(=O)(C)c1cc(c(Oc2c(Cl)ccc(CC(=O)OCC)c2)cc1)Cl	46
+c1(c(OCCC(CCCC)c2sc3cc(ccc3c2C)OC)ccc(CC(=O)OCC)c1)OC	8
+c1cc(ccc1-c2c(c(no2)C)NC(=O)OC(C)c3c(cccc3)Cl)-c4cc(ccc4)CC(=O)OCC	99
+C(OCC)(Cc1cc(ccc1)C#N)=O	1926
+c1cc(cc(CC(=O)OCC)c1)CN	107
+c1(cc(ccc1)CC(OCC)=O)C=O	1543
+FC(F)(F)c1ccc(cc1)COc2cccc(CC(=O)OCC)c2	22
+c1c(C)c(c(cc1)C)COc2cccc(CC(=O)OCC)c2	20
+COc1cccc(OC)c1COc2cc(CC(=O)OCC)ccc2	657
+C(OCC)(=O)C(C(=O)c1c(ccc(OC)c1F)OC)c2cccc(OC)c2	5915
+O(CC)C(C(C)c1cccc(OCOC)c1)=O	643
+c1(ccc(CC(OCC)=O)cc1Cl)N=C=O	861
+C(OCC)(Cc1cc(Br)c(O)c(Cl)c1)=O	662
+c1cc(ccc1C(CC)(CC)c2cc(C)c(C=CC(CC)(CC)O)cc2)-c3ncc(cc3)CC(OCC)=O	362
+C(=O)(Cc1cccc(NC(=O)c2cccc(Br)n2)c1)OCC	187
+c1c(cc(Cl)c(C(Nc2cccc(c2)CC(OCC)=O)=O)c1)Br	67
+c1cc(ccc1N(C)C)-c2ccc(C(=O)Nc3cc(CC(OCC)=O)ccc3)o2	1242
+c1cc(ccc1-c2c(CC(=O)OCC)cc(C(=O)c3occc3)s2)C#N	5916
+c1ccccc1C=2CCN(CCCCN(c3cc([N+]([O-])=O)ccc3C(OC)=O)C(=O)OCC)CC=2	2480
+C(OCC)(N(c1cc(Cl)nc(c1[N+]([O-])=O)N)Cc2ccc(C)nc2)=O	664
+C1CC(CCO1)COc2cc(c(c(N)n2)[N+](=O)[O-])N(C(OCC)=O)Cc3cnc(cc3)C	91
+c1(C)[nH]c(cc1Cl)C(NC2C(CN(C(OCC)=O)CC2)OCC)=O	81
+COc1nc(CC(=O)OCC)c(C(OCC)=O)cc1	766
+c1cc(c(cc1-c2n(c(c(C#N)c2Cl)Cl)COCC)Cl)Cl	2481
+FC(F)(F)c1cccc(OCOCC)c1	175
+c1(nc2c(o1)ccc(c2)C(C)C(=O)N(COCC)c3ccnc4c(cccc34)F)-c5c(Cl)cccc5F	5917
+CC(C)(C)OC(C(C)(C)Oc1cccc(CC(OCC=C)=O)c1)=O	517
+C(OCCOCCSc1cc(OC)cc(c1)[N+]([O-])=O)COC	176
+c1ccccc1CN(Cc2ccccc2)C(COCCOCCOC)C	176
+c1cc(ccc1C(OCC)=O)OCCOCCOC	8
+[N-]=[N+]=NCCOCCOc1ccc(C=O)c(c1)O	310
+c1[nH]c2c(c1CCCO)c(C)c(cc2)[N+]([O-])=O	665
+C(OCCCl)CC(Nc1ccc(cc1C)C(=O)OC)=O	26
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOCCO	53
+c1ccccc1C2(CCN(CC2)CCOCCO)c3ccccc3	53
+CC(C)(C)OC(NCCOCCO)=O	37
+Clc1ccc2c(nccc2NCCOCCO)c1	105
+O=C1C2CCCCC2C(=O)N1CCOCCO	5918
+O=S(=O)(Cc1c(cccc1)[N+]([O-])=O)NCCOCCO	111
+C(O)COCCNc1n[n+]([O-])c2ccccc2n1	1888
+CC1(C)NC(C)(C)N(CCCOCCOCCOC)C1=O	481
+C(COCCN=[N+]=[N-])OCCO	558
+c1cc(ccc1OCCOCCOCCO)-c2ccc3c(c2)ccc(c3)N	72
+COCCOCCOCCOCCOCCO	649
+CCOP(OCC)(=O)CCOCCOCCOC	5919
+C(OCCOCCCl)COC	221
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOC)C	1293
+c1cccc2nc(-c3c(OCCOCCOCCOC)cc([N+](=O)[O-])cc3)sc12	126
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOC)C	36
+c1ccccc1COC(NC(C(=O)N2CC(CC2)OCCOCCOCCOCCOCCOC)c3ccccc3)=O	10
+OP(O)(=O)CCOCCOCCOC	228
+C(OCCOCCS(=O)c1cc(cc(N)c1)OC)COC	0
+C(OCCOCCS(c1cc(cc(OC)c1)[N+]([O-])=O)=O)COC	357
+CC1(C)OB(OC1(C)C)c2ccc(cc2C)OCCOCC	17
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCOCCO	5920
+CC(C)(C)OC(N1CCN(CC1)c2ccccc2OCOCCOC)=O	175
+CC(C)(C)OC(Nc1c2c(ccc(OCOCCOC)c2)ccc1)=O	175
+CC(C)(C)c1ccc(c(Br)c1)OCOCCOC	175
+Clc1ccc(c(C=O)c1)OCOCCOC	175
+FC(F)(F)c1c(OCOCCOC)ccc(Br)c1	175
+O=C1CC(CC(=C1)OCC)c2c(OCOCCOC)cccc2	175
+O=S(=O)(N(COCCOC)c1c(Cl)c(no1)C)c2csc3ncccc23	5921
+C(OCOc1cccc(I)c1)COC	175
+C(OCn1c(Cl)nc2c(Cl)cccc12)COC	1544
+C(OCn1cnc2c1cc(Cl)c(c2)Sc3cc(C)ccc3)COC	1544
+C(OCOc1ccc(cc1Br)C#N)COC	175
+c1c(C)c(c(cc1C=O)C)OCOCCOC	175
+c1cc(ccc1[N+]([O-])=O)OCCOCOCCOC	433
+O(CCOC)Cn1cnc2c(c(Cl)c(cc12)Cl)Cl	1544
+c1cc(ccc1Cl)Nc2c3c(nc(Cl)n2)n(cn3)CCOCC	1545
+CC(C)(C)OC(NC(C)C(N(c1c2cc(OCOCCOC)ccc2ccc1)C)=O)=O	429
+CC(C)(C)OC(NCc1cc(Br)c(OCOCCOC)cc1)=O	37
+C(OCOc1ccc(CN)cc1Br)COC	107
+C[Si](C)(C)C#Cc1cc(ccc1)OCOCCOC	311
+C1CCCC1CN(CC)c2ccc(nc2COCOC)OC	5922
+C(OCc1ccc(CCO)nc1)OC	5923
+c1cc(ccc1OCCc2ncc(cc2)COCOC)[N+]([O-])=O	57
+C(OCc1c(NCC)ccc(OC)n1)OC	3526
+C(COCc1nccs1)O	88
+C(OCn1c(-n2ncc(C(=O)OCC)c2)nc3c(Cl)cccc13)COC	2482
+C(C)OC(c1cnn(-c2[nH]c3cc(c(Cl)cc3n2)Sc4cc(C)ccc4)c1)=O	5924
+C(OCn1c2cc(Cl)c(cc2nc1-n3ncc(C(=O)OCC)c3)Sc4cc(C)ccc4)COC	2482
+O(CCO)Cn1c2ncccc2nc1	59
+C1CC1c2ccc(Nc3c(ccc4cncn34)C(=O)NOCCOC=C)c(F)c2	1546
+C1CN(CCN1c2ccc(cc2)Nc3ncc(cn3)CCc4cc(C(=O)NOCCOC=C)cc(OC)c4)CC	514
+Fc1c(c(Nc2ccc(I)cc2C)c(C(=O)NOCCOC=C)cc1F)F	514
+c1c(I)cc(c(Nc2c3cnsc3ccc2C(NOCCOC=C)=O)c1)F	514
+c1c(cc(c(NC2=CC(=O)N(C)C=C2C(NOCCOC=C)=O)c1)F)Br	3527
+c1c(cc(c(Nc2c(c3c(cc2C(NOCCOC=C)=O)n(cn3)C)Cl)c1)Cl)Br	514
+c1c(cc(c(Nc2c(C(NOCCOC=C)=O)ccc3cncn23)c1)F)Br	1546
+c1ccccc1CCCNc2scc(CON=C(c3cc(SC)ccc3)c4n(nnn4)C)n2	5925
+C1COC(O1)CCCC(C(=O)OCC)=Cc2ccc(-n3cc(nc3)C)c(c2)OC	1096
+O=C(OCC)C(=Cc1cc(c(cc1)-n2cc(nc2)C)OC)CCCCl	1096
+N(=[N+]=[N-])CCP(OCC)(=O)O	228
+c1(C=O)ccc(c(c1)CP(=O)(OCC)O)O	228
+Clc1cc(c(O)cc1)C=Cc2c(cccc2)Br	1265
+Clc1cc(c(O)cc1)C=Cc2c(cccc2)Cl	1265
+C(C)OP(OCC)(=O)c1csc(I)c1	1927
+c1cc(ccc1C(=O)OC)C2N3C(CCC2)CCC(C3=O)=Cc4cc(c(-n5cc(nc5)C)cc4)OC	3528
+c1cc(ccc1)-n2cc(C=Cc3nc(sc3C)N4CCOCC4)c(n2)OCOC	5926
+C(OP(OCC)(Cc1cc(ncc1)C(N)=O)=O)C	862
+O(CC)P(OCC)(Cc1cc(c(cc1F)[N+]([O-])=O)F)=O	5927
+C(Oc1nc(COC(C)=O)ccc1)CCC	5928
+C1CC(CCC1N(CCCOc2c(Cl)cc(c(c2)OC)CO)C)OC(C(c3cccs3)(c4cccs4)O)=O	28
+c1(OC)cc(c(c(OC)c1O)C(=O)c2c(OC)ccc(Cl)c2C)C	5929
+n1(c(c(nc1Sc2c(Cl)cc(cc2)Nc3c(cnc4cc(OCCCCl)c(OC)cc34)C#N)C)C)CC	179
+c1c(N)cc(cc1)Sc2c3c(cc(OC)c(OCCCCl)c3)ncn2	1124
+C(Oc1c(OC)cc2c(c(ncn2)Cl)c1)CCCl	64
+C1CCN(C1)CCCOc2cc3nccc(O)c3cc2OC	53
+COCC#Cc1c2OCOc2c(Nc3ncnc4cc(OCCCCl)c(cc34)OC)c(c1)Cl	73
+O=S(=O)(NCCOc1c(cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)cc1Br)OCC)C	111
+C(Oc1c(OC)cc2c(c(ncn2)O)c1)CCCl	3529
+C1CCN(C1)c2nc(N3CCCC3)nc(N4CCN(CC4)CCCOc5cccc6[nH]c(C(=O)N)cc56)c2	53
+C(Oc1cc(OC)ccc1NC(C)=O)CCBr	26
+c1cc(ccc1Cl)CC2(O)C(C)(C)CN(CC2)CCCOc3c(NC(C)=O)ccc(c3)OC	28
+c1ccccc1N2CCN(CC2)CCCOc3cc(ccc3Cl)[N+]([O-])=O	28
+c1c(OCC)c(c(cc1CN2CCC(CC2)Nc3nc4cc(OCC(O)CO)ccc4o3)OCC)Cl	5930
+c1ccc2c(cc(OCCC)c(N)c2)c1	106
+c1(ccc(C#N)cc1CCC)OCCCOc2ccc3c(c2)ccn3CC(=O)OC	8
+O=C(NCCCOc1cc2ccc(O)nc2cc1)n3cncc3	2483
+[n+]1([O-])ccc(OCCCC)c(C)c1COC(=O)C	983
+C1CN(CCC1)CCCOc2cc(C)c(-c3cn4c(cc(C)cc4)n3)cc2	53
+C(Oc1ccc(-c2cn3ccc(C)cc3n2)c(C)c1)CCCl	440
+C1CN(CCN1CCCOc2ccc(N)c(c2)[N+](=O)[O-])C	28
+c1ccccc1CNC(C)COc2ccc(c(C(N)=O)c2)O	87
+C1CN(CCO1)CCCOc2cc([N+](=O)[O-])c(C)cc2	28
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)C(NCCOc3cc(ccc3)C#N)=O)=O	14
+c1cc(ccc1C(c2cc(OC)c(OC)cc2)=O)C(NCCOc3cc(ccc3)C#N)=O	14
+CC(C)(C)S(N=C(c1c(C#N)nccc1)c2cc(OCCCF)ccc2)=O	5931
+C(Oc1cccc(C(=O)c2cccnc2C#N)c1)CCF	5932
+Cc1cc(ccc1)OCC(C)=NO	350
+c1(cc(ccc1Br)OCCCBr)CC	38
+C1(c2ccccc2C(=O)N1CCCOc3cccc(CO)c3)=O	851
+CC1(C)COc2cccc(OC)c12	5933
+c1c(N)cc(cc1)OCCCBr	0
+C(Oc1cccc(c1)C(=O)OC)CCI	363
+C1CN(CCC1)CCCOc2cc(ccc2)C(OC)=O	183
+c1cc(ccc1)C(c2ccccc2)CNCCCOc3cc(ccc3)CC(=O)OC	132
+O=S(=O)(C)OCCOc1cccc2c1cccc2	7
+C(Oc1cncc(Br)c1)CCNC	284
+C(Oc1nc(CO)ccc1)CCC	59
+c1cc(ccc1)COC(N2CC(CCC2)CCn3c4c(nc3OC)c(nc(OC(CCC)C)n4)N)=O	637
+c1ccccc1COC(N2C(CCCC2)CCCn3c4c(c(nc(OCCCC)n4)N)nc3OC)=O	637
+c1c(C2(c3ccnc(OCCCF)c3)c4cccnc4C(N2)=N)cccc1Br	5934
+C1CCN(C1)CCCOc2noc(C(Nc3cc(c(cc3)F)Cl)=O)c2	28
+S(C)(Cc1cccc([N+]([O-])=O)c1)(=O)=NC(OCC)=O	5935
+C(Sc1ccnc(CO)c1C)CCS	1275
+FC(F)(F)c1cccc(c1)C2SCCCS2	3530
+c1c(F)cc(cc1C2SCCCS2)F	3530
+O=S(=O)(C)c1ccc(C(=O)c2cnn(CC)c2OC(=O)SCC)c(c1OCCOC)C	3531
+O=S(=O)(C)c1ccc(C(=O)c2c(n(C)nc2)OC(=O)SCC)c(c1OCCOC)C	3531
+O=S(=O)(Cc1cccc(NC(C)=O)c1)CC	1547
+FC(F)(F)Oc1ccc(cc1)C=2OC(SN=2)=O	1928
+Cc1cc(C=2OC(SN=2)=O)ccc1	1928
+c1cc(ccc1Cl)C=2OC(SN=2)=O	1928
+c1ccccc1COc2ccc(cc2)C=3OC(SN=3)=O	1928
+C(C(=NO)c1c(F)cnc2ccc(OC)cc12)CC3CCN(CCSc4c(ccc(F)c4)F)CC3CC(=O)OC	189
+C(c1ccccc1SCC)Cl	109
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CSc4ccccc4OC)O	604
+C(Sc1ccccc1OC)C(C=O)OC	24
+Brc1sc(SCCCNC(C)=O)cc1	407
+c1nc2ccc(SCCCSc3ccnc(c3C)CO)nn2c1[N+]([O-])=O	1929
+CC(C)(C)OC(=O)NC1CCN(CC1)CCSc2cnc3c(cc(cc3)OC)c2	61
+CC(C)(C)OC(=O)NC1CCN(CC1)CCSc2nc3cc(ccc3nc2)OC	61
+c1(ccc(cc1C#N)Cc2ccc(c(OC)c2)OC)N	5936
+C(#N)c1[nH]c(C(=O)O)c(Cl)c1Cl	1
+O=S(=O)(N(C)C)c1cc2c(cc1)NC(=O)C2=Cc3c(c4ccccc4[nH]3)C	292
+s1c(nc2-c3cc([N+]([O-])=O)ccc3CCc12)Cc4nc[nH]c4	3532
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nnnc4CCCCC#N	5937
+C(OC(=O)C)c1c(Br)c(C)cc(OC(=O)C)c1	283
+C(c1c(Br)c(C)cc([N+]([O-])=O)c1)C#N	163
+c1(c(Br)c(C)cc([N+]([O-])=O)c1)CC(=O)O	508
+c1cc(ccc1CCCC)C#Cc2c(CCC)c(ccc2)F	455
+c1cc(ccc1C(O)=O)-c2scc(Br)c2CC(=O)OC	268
+C(c1c(C(NC)=O)[nH]c2cc(c(OC)cc12)F)CNC(C)=O	81
+n1cccc(C)c1CN(Cc2ncccc2C)Cc3ccc(cc3C(OC)=O)C#N	131
+Clc1c([N+]([O-])=O)cc2CN(C(c2c1)=O)C	854
+c1(C(=O)OC)cc([N+]([O-])=O)ccc1COC	149
+O(Cc1c(C(=O)OC)ccc([N+]([O-])=O)c1)c2cccc(NC(C)=O)c2	22
+N1(Cc2c(C1=O)ccc([N+]([O-])=O)c2)CC	854
+c1([N+]([O-])=O)ccc2C(=O)N(Cc2c1)C	854
+c1(cc2cccnc2cc1)N3C(c4cc(OC)ccc4C3)=O	1473
+COc1c(c(C)c(C#N)c(Cl)n1)Cl	91
+FC(F)Oc1cc(cc(C)c1CC=C)C	1548
+C1CC(CCC1C(=O)OC)NC(c2cc(cnc2C)Cl)=O	1281
+[N+](=O)(c1c(C(O)=O)c(cc(c1OC)Cl)Cl)[O-]	65
+CCCc1cc(c(N)c(Br)c1Cl)C#N	38
+O(Cc1c(Cl)ccc([N+]([O-])=O)c1)c2cccnc2	483
+O(Cc1c(Cl)ccc([N+]([O-])=O)c1)c2cnc(cc2)F	483
+C(c1c(Cl)nc(nc1Cn2ccnc2-c3cccc(F)n3)C)CC	5938
+[N-]=[N+]=Nc1c(CCC)c(nc(C)n1)Cn2ccnc2-c3cccc(F)n3	3533
+c1ccnc(NCC)c1NC(c2cc(Br)cnc2Cl)=O	1549
+C1CC1Nc2ccccc2NC(=O)c3cccnc3Cl	971
+C(C)OC(c1c[nH]c(C(c2cccnc2Cl)=O)c1)=O	2484
+FC(F)(F)c1cc(nc(Cl)c1NC(=O)c2cccnc2Cl)C	1549
+n1c(Br)c(NC(c2cccnc2Cl)=O)ccc1OC	1549
+n1ccc(C)c(c1OC)NC(c2cccnc2Cl)=O	1549
+c1cc(c(Cl)nc1)C(=O)c2ccc(C(NC)=O)[nH]2	2484
+c1(C(=O)c2ccc[nH]2)cccnc1Cl	2484
+c1cc(ccc1)CN(CCO)C(=O)Cc2cccnc2Cl	10
+Nc1cc(C(=O)OC)c(F)c(c1)N2CCCC2=O	0
+C1OC(CCC1)OCCNC(c2c(F)ccc([N+]([O-])=O)c2)=O	219
+C1(N(Cc2c(F)cccc2)C(C(N=O)=C(N)N1)=O)=O	863
+C(c1c(O)c(cc2CCC(C)(Oc12)CCC(OCC)=O)C(=O)C)CC	27
+CCOC(=O)CCC1(C)Oc2c(cc(C(=O)C)c(c2CCC)OCCCOc3ccc(C(=O)C)c(O)c3CCC)CC1	8
+c1(c(ccc(C(C)=O)c1OCCCOc2ccc(C(=O)C)c(O)c2CCC)OCC(=O)OCC)CCC	8
+CC(C)(CCCCOc1ccc(c(c1CCC)O)C(C)=O)C(=O)OC	8
+C(c1c(ccc(c1O)C(=O)C)OCC(OCC)=O)CC	52
+CC(c1cc(c(c(c1O)CCC)O)Cl)=O	1550
+C(c1c2cc(OCC(OC)=O)ccc2ccc1OCCCOCCCOc3ccc(c(c3CCC)O)C(C)=O)(=O)C	8
+c1cc(ccc1COc2c(c(O)c(cc2)C(C)=O)CCC)C=CC(=O)OC	22
+c1cc(ccc1C(=O)CCCCC(OC)=O)SCCCOc2c(c(c(cc2)C(C)=O)O)CCC	8
+C=CCc1c(O)c(ccc1OCCCOc2cccc(c2CCC)OCC(=O)OCC)C(=O)N	72
+C(c1c(O)c(ccc1O)C(NC)=O)CC	732
+C1(C(=O)OC)CCc2c(c(c(cc2)OCCCOc3ccc(c(c3CCC)O)C(=O)NC)CCC)O1	116
+Clc1c2cc(c(cc2ncc1C#N)OC)OC	120
+O=C1c2ccccc2C(=O)N1Cc3ccc(cc3OC(C)=O)[N+]([O-])=O	1930
+O(C)c1c(cc(C(=O)OC)cc1OC)CCC=CCC	1516
+C(c1cc(c(C(=O)OC)cc1O)F)CC	5
+c1(ccccc1Cl)Oc2cc(c(cc2)OC)C(C(=O)OCC)(C#N)C	3534
+C(c1c(OC)nc(C)cc1)n2c3cccc(NC(=O)c4n5c(cccc5)nc4)c3c(CC)n2	466
+C(n1c2cccc(NC(=O)c3n4c(cccc4)nc3)c2c(CC)n1)c5ccc(nc5O)C	104
+C(c1c(OC)nc(C)cc1)n2c3c(c(CC)n2)c(N)ccc3	0
+c1(c[nH]c2c1cc(cn2)C)Cc3c(nc(cc3)NC(c4cc(cnc4OC)F)=O)F	5939
+CN(C)C(Cc1c(Sc2c[nH]c3ccccc23)cccc1)=O	10
+O=Cc1c(c(CC(=O)O)c(C)[nH]1)C	413
+C(c1c(O)c(ccc1O)C(=O)N)C=C	666
+C(c1c(O)c(ccc1O)C(NC)=O)C=C	513
+C1CN(CCO1)CCNc2c(cccc2F)C(=O)OC	60
+C(CCCC)CCc1c(F)c(ccc1)F	414
+C(CCCCc1sc(C(Oc2c(C#N)c(c(cc2)OCCCCCCCC)C#N)=O)cc1)CCCCCCC	852
+C(=O)(O)c1c(F)c(OC)ccc1OC	6
+c1cc(-c2cc3c(c(C(=O)NCC(=O)OCC)c2O)ncc(n3)-c4sccc4)cc(F)c1F	2485
+c12c(c(Cl)ccc1)ncc(C(Nc3nccs3)=O)c2O	1931
+c1c2c(c([nH]c2ccc1)C#N)Cl	331
+c1(c(cc(Br)c(C)c1Cl)C(=O)OC)O	196
+FC(F)(F)Oc1ccc(cc1)-n2nc(nc2)-c3ccc(cc3)CCCNC(NC(=S)Nc4c(ccc(C)c4)CCC)=O	3390
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2c(OC)cc(c(C(CCCCCl)=O)c2)OC	69
+c1c(ccc2c1nc(OC)c(N)n2)F	5940
+N1(NC(c2c1cc([N+]([O-])=O)cc2)=O)Cc3c(cc(cc3)C(=O)OC)OC	5941
+C(c1ccc(F)cc1C(=O)OCC)Oc2cc(F)ccc2	22
+CC(C)N(C(C)C)C(c1ccc(cc1OC)OC)=O	115
+Nc1cc(C(=O)OC)c(cc1)Br	0
+c1ccc(c(c1)C(c2c(F)cccc2)Oc3ccc([N+]([O-])=O)cc3C(=O)OC)F	5942
+c1c(c(C(=O)OC)cc(c1)C(=O)C)OC	65
+c1cc(ccc1C(O)CCCc2ccccc2)OCCCOc3ccc(C(C)=O)c(c3CCC)O	8
+C(C)Cc1c(c(C(C)=O)ccc1OCCCCCOc2ccc3c(c2CCC)OC(=CC3=O)C(OCC)=O)O	8
+C(c1c(ccc2c1OC(CCC(OCC)=O)CC2)OCCCI)CC	363
+C1CC1Cc2c(OCCCOc3c(CCC)c4c(cc3)CCC(CCC(=O)OCC)O4)ccc(C(NC)=O)c2O	116
+FC(F)(F)S(=O)(=O)Oc1ccc2c(ccc(OC)c2)c1CC=C	166
+c1cc(ccc1)COc2ccc3c(cccn3)c2CC=C	22
+FC(F)(F)c1ccc(OCCCOc2c(cc(cc2C#Cc3c(Cl)cccc3)OCC=C(Cl)Cl)Cl)nc1	129
+c1cc(ccc1C)OC(C(OC)=O)c2ccccc2Cl	2486
+n1c(ccc(c1)-c2cc3c(cc2Br)CCO3)N	5943
+CC(C)(C)[Si](C)(C)OCC(Cc1c(cccc1)OC)O	19
+Oc1c(CC(N)=O)cccc1	5
+C1COCCN1C=2c3ccccc3C(N(N=2)NC(=O)Cc4c(OC)cccc4)=O	2487
+C1(C(c2ccccc2OC)=COc3cc(O)c(Cl)cc13)=O	3535
+FC(F)(F)c1cc(ccc1)S(=O)(=O)CCSc2c(NC(Cc3c(cccc3)OC)=O)cccn2	469
+FC(F)(F)c1ccc(cc1)CCN(C(=O)Cc2ccccc2OC)c3ccc(OC)c(F)c3	429
+C(c1c(cccc1)OC)C(N)=O	3536
+c1ccccc1C2(O)CC(CC#N)CC3CN(C(=O)Cc4c(OC)cccc4)CC23	10
+c1(ccc(O)c(C(=O)O)c1C)Br	38
+C(c1c(cccc1F)O)CC	5
+c1cc(ccc1)COc2c(CC=C)c(ccc2)C(OCC)=O	22
+CN(C)CCON=Cc1cc2ncc(-c3cccc(c3)-c4c(scc4)C#N)n2cc1	135
+C(c1c(ccs1)-c2cc(ccc2)-c3cnc4n3ccc(C=NO)c4)#N	135
+FC(F)(F)S(=O)(=O)OCCn1c(c(c(n1)C)CC(=O)NCc2c(cc(F)cc2)Cl)C	1932
+n1c(c(ncc1OC)CO)OC	1125
+c1(-c2nc(F)ccc2)n(Cc3c(CCC)c4n(ccn4)c(C)n3)ccn1	5944
+O=Cc1sccc1CC(CCCC)CC	3537
+CC(C)(C)c1cc(n(-c2ccc(cc2)F)n1)NC(=O)c3cccc4cc(ccc34)Oc5ncnc(Cl)c5	330
+C(c1c2c(ccc1OCCF)C=C(C(=O)O2)C(=O)O)CC	108
+Ic1cc(ncc1)-n2c3c(c(n2)C(O)=O)CCCC3	2488
+Cc1c2c(nn1C)ccc3CCC(c23)=O	5945
+C(c1c2c(ccc1OCCCOCCCOc3ccc(c(c3CCC)O)C(C)=O)ccc(OCC(=O)O)c2)(=O)C	4
+c12c(CC(=NO)N)coc1c(Cl)ccc2	609
+CC(C)(C)ONC(=O)C1(C)COCCC1NS(=O)(=O)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4	139
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=O	139
+C(c1c2ccccc2nc(n1)CCNC(C)=O)(O)=O	206
+CN(C)c1ccc2CN(CCc2c1O)C(=O)c3c4ccccc4nc(n3)CCNC(=O)C	147
+c1(c[nH]c2ncccc12)Cc3nnc4n3nc(-c5cnn(C)c5)cc4	2489
+Cc1ccccc1-c2nc(C)sc2NC(c3c4n(ccc(n4)Cl)nc3)=O	5946
+CC(C)CNCc1ncn2c(ncn2)c1CCC	3290
+C[Si](C)(C)CCOCn1c(-c2cc(Cl)ccc2OC(F)F)c(cn1)NC(=O)c3c4n(cccn4)nc3	5947
+CC(C)(C)OC(n1cc(CC#N)c2c1ccc(c2)C(=O)OC)=O	389
+FC(F)(F)c1ccc(cc1)-c2sc(c(C)n2)CCOc3ccc4c(CCC)c[nH]c4c3	126
+C(c1c[nH]c2c1ccc(N)c2)C#N	0
+CC(C)(C)OC(NCCc1c[nH]c2cc(ccc12)[N+](=O)[O-])=O	5948
+C(c1c[nH]c2ncccc12)n3nnc4c3nc(-c5cnn(C)c5)cn4	5949
+C1CNCCN1Cc2cccc(c2)-c3nc4cccc(C(=O)OC)c4o3	131
+c12c(nnc(c1c([N+]([O-])=O)ccc2)O)Cc3ccc(F)c(Br)c3	3538
+C1Cc2c(c(cc(Br)c2)C(=O)O)OCC1	1
+C(c1cc(C#N)cc(-c2onc(n2)-c3ncccc3)c1)N	1551
+C(c1cc(C#N)ccc1I)C#N	158
+C1CN(CCN1C(C)=O)c2cnc(NC(Cc3cc(c(-c4cc(F)ncc4)nc3)C)=O)cc2	142
+C(c1cc(C)c(-c2cc[n+](c(C)c2)[O-])nc1)C(=O)O	103
+c1c(cc([n+](c1)[O-])C)-c2c(cc(CC(=O)Nc3ccc(cn3)-c4nccnc4)cn2)C	142
+C(c1cc(C)c(CNC(N2CC(N(c3cccc(F)c23)CCO)=O)=O)cc1)(N4c5c(cccc5)CCCC4)=O	21
+C(c1cc(C)c(CNC(N2CC(N(c3cccc(F)c23)CCNC)=O)=O)cc1)(N4c5c(cccc5)CCCC4)=O	110
+C(c1cc(C)c(CNC(N2CC(=O)N(c3cccc(F)c23)CC=O)=O)cc1)(N4c5c(cccc5)CCCC4)=O	24
+c1(cc(cc(C)c1F)NC(C(OC)=O)CCCCOCc2cc(C)c(F)cc2)C	5950
+CC(C)(C)OC(c1ccc(c(c1)C)Br)=O	1933
+C[Si](C)(C)CNC(=O)c1cc(c(cc1)Br)C	5951
+c1(cc(C)c(cc1)C#N)C(N2c3ccccc3N(CCC2)CC)=O	610
+N#Cc1c(cc(C(Nc2ccccc2-c3ccco3)=O)cc1)C	67
+O=Cc1cc(C(=O)O)cc(C)c1O	1934
+c1(C)c(ccc(c1)C(=O)OC)O	128
+C1CN(CCC1S(=O)(=O)NC(Cc2cc(C)c(cc2)OC)=O)c3c(C#N)cc(C(=O)OCC)c(n3)C	344
+O=C(N(OC)C)Cc1cc(C)ccc1	164
+c12ccc(-c3cccc4n(C)nc(c34)N)cc1CCN2C(=O)Cc5cc(ccc5)C	429
+C1CC(CCN1OC)(C(OC)=O)NC(Cc2cc(C)ccc2C)=O	726
+C1CN(CCC1(N(C(=O)Cc2c(C)ccc(C)c2)O)C#N)OC	1080
+O(c1c2cc(c(OC)cc2ncc1)OC)c3ccc(C)cc3C(=O)CC	155
+CC(C)(C)OCC1=C(C(c2cc(ccc2)CC(O)=O)C=3C(=O)OC(CC=3N1)c4c(cc(cc4C)C)C)C(=O)OCC	3539
+c1(nc(c(C(=O)OC)cc1Cl)-c2cc(F)ccc2)CNC(C)=O	206
+C(c1cc(Cl)c2nccn2c1-c3cc(F)ccc3)(=O)OC	1935
+Clc1cc(c(n2c1ncc2)-c3cc(F)ccc3)C(=O)O	1
+c1cc(ccc1Cl)-c2oc3c(c2)cc(cc3Cn4nc(C(=O)OCC)cc4C)Cl	1936
+FC(F)(F)CCC(c1cc(Cl)ccc1)C(O)=O	434
+Clc1cccc(Cc2nc(no2)C(=O)OCC)c1	3540
+c1cc(ccc1)Nc2nc(-c3c(nn4ccccc34)-c5cccc(c5)NC(Cc6cccc(c6)Cl)=O)ccn2	1294
+n1nc(-c2cnc(cc2)NC(=O)Cc3cc(F)c(-c4cc(F)ncc4)nc3)ccc1	142
+CCC(=O)N(Cc1cccc(I)c1)c2cccc(C#N)c2	1126
+CCOP(OCC)(=O)Cc1cccc(I)c1	590
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(OCc5cc(I)ccc5)cc4C	22
+COc1cncnc1OCC#Cc2cccc(CC#N)c2	121
+c1csc(c1)C(=O)Nc2cccc(C(=O)c3cc4NC(Cc4cc3)=O)c2	864
+C(c1cccc(NC(=O)c2n(nc(C)c2)C)c1)(=O)c3cc4NC(Cc4cc3)=O	187
+c1cc(COC2=C(Br)C(N(C(=C2)C)c3c(C)ccc(c3)C(NC)=O)=O)c(cc1F)CNC(OC)=O	14
+Nc1c(C(=O)OC)cc(N2C(=O)C=CC=C2)cc1	0
+C(OCC)(Cc1cc(OC)c(C)cc1)=O	27
+C(c1cc(c(Cl)cc1)O)C(=O)O	5
+C1CCCN1C(=O)Cc2ccc([N+](=O)[O-])c(c2)OC	10
+c1(I)cc(c(cc1)NCc2cc(OC)c(cc2F)OCc3ccc(nc3)OC)N	0
+c1c(OC)ccc(OC)c1C(=O)Cc2cc(cc(OC)c2)F	214
+FC(F)(F)c1ccc(cc1)CNCc2cc(ccc2Br)OC	370
+C(C#N)c1cc(OC)ccc1Br	163
+c1c2c(c(O)nc(Nc3ccn[nH]3)c2)ccc1OC	5952
+FC(F)(F)C(N=S(C)Cc1cc(nc(c1)OC)Nc2ncc(c(-c3c(OC)cc(cc3)F)c2)F)=O	5953
+C1CCC(C1)c2c(C(n3nc(c4ncccc34)-c5c(cc(cc5)C(O)=O)F)=O)c(Cl)ccc2	5954
+N#Cc1cc(c(cc1F)COc2cc(c(Cl)cc2)Cl)Br	22
+C(c1cc(c(cc1O)C(=O)O)F)CC	1
+CC(C)(C)c1cc(NC(c2ccc(c(-n3cc(-c4ccc(Cl)nc4)nn3)c2)C)=O)c(c(c1)NS(=O)(=O)C)OC	67
+C(c1cc(c(C)cc1)N2C(=O)c3cc(ccc3N=C2)O)(=O)O	5
+C1CCCCN1CCOc2cc3C(N(c4cc(C(O)=O)ccc4C)C=Nc3cc2)=O	53
+c1c2C(N(c3c(C)ccc(c3)C(=O)OC)C=Cc2ccc1O)=O	128
+C(OCC)(Cc1cc(c(Cl)cc1)O)=O	456
+C(c1cc(c(Nc2nc(-c3n4c(cccc4)nc3)c(Cl)cn2)cc1)OC)C(=O)O	55
+Nc1c(NC(C)=O)c(Br)c(O)c(C(=O)OC)c1	0
+c1cccn2c(-c3nc(ncc3Cl)Nc4c(cc(cc4)CC(N5CC(CC5)O)=O)OC)cnc12	10
+C1CCCCC1Cc2noc(C=Cc3ccc(OC)c(c3)OC)n2	3410
+C1CC1c2noc(C=Cc3cc(c(OC)cc3)OC)n2	5955
+C1CN(CCC1N(C2CC2)C(=O)c3ccc(-c4cnco4)c(c3)F)c5ncc(C)nc5	30
+c1(C=O)cc2c(cc1)cccc2Cc3c(cc(cc3)C(=O)OC)OC	1937
+c1cc2CCC(NC(OCC)=O)C(Cc3cc(c(cc3)Cl)Cl)c2cc1OC	101
+C(Br)C(=O)c1c(ccc(c1)C(=O)OC)O	47
+C(CNC(c1cc(c(cc1)O)F)=O)C(OCC)=O	14
+c1c(ccc(c1OC)O)CC(OC)=O	27
+c1c(cc(OC)c(Oc2c([N+](=O)[O-])c3c(nccc3)cc2)c1)CC(O)=O	415
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1OC)CC(OC)C(=O)O	154
+C(c1cc(c(cc1)O)OC)C(OC)C(=O)O	4
+c1cc(cc(c1OC)O)CC(OCC)=O	27
+C1CC(CCN1C)N(C(=O)Cc2ccc(OC)c(O)c2)Cc3ccc(cc3)C	10
+CC(C)CCN(CCC(C)C)C(=O)c1ccc([N+]([O-])=O)c(F)c1	30
+CCCc1c(O)c(c(C(=O)O)c(F)c1)[N+](=O)[O-]	31
+c1cnccc1-c2c(-c3ccc(cc3)OCc4nc5ccccc5c(Cl)c4)nn(c2)C	1538
+C(O)c1cc(cc(c1CBr)Br)F	98
+c1nc(ncc1C(=O)NCc2cc(cc(c2)C(=O)OC)C)N3CC(Oc4ccccc4OCC)CCC3	484
+CCc1cc(cc(CC)c1-c2cc(C=O)ccc2)OCCCS(=O)(=O)C	267
+C(C)c1cc(cc(CC)c1-c2cc(COc3cc4OCC(CC(OC)=O)c4cc3)ccc2)OCCCS(=O)(=O)C	20
+c1(cc(CC#N)cc(c1)CO)I	5956
+Clc1cc(cc(c1)CC(OC)=O)Br	27
+c1cc(ccc1CN2C(c3c(cc(Br)cc3Cl)C2)=O)CC	854
+c1cc(ccc1-c2oc3c(cc(F)cc3C(=O)OC)c2)CN(C)C	1936
+C(c1cc(cc(c1O)Br)Br)C#N	2490
+c1c(c(O)c(Br)cc1Br)CC(=O)O	508
+CC(C)(C)OC(Cc1cccc(Br)c1)=O	3541
+C(OCC)(Cc1cc(ccc1)Br)=O	939
+C(OCC)(Cc1cc(ccc1)Br)=O	27
+c1(cccc(c1)CC(OC)=O)Br	27
+c1(cccc(c1)CC(NNC=2N(CCCCC)c3[nH]cnc3C(N=2)=O)=O)Br	355
+c1c(NC(=O)Cc2cc(ccc2)Br)c3c(CCC(O)C3)cc1	33
+c1cc(ccc1CCO)OCCOCc2cc(ccc2)C#N	8
+C[Si](C)(C)CCOCn1nc(c2c1cc(cc2)Br)C(Nc3cn(nc3)Cc4cccc(c4)C#N)=O	2491
+C(c1cc(ccc1)C#N)n2ncc(N)c2	209
+CC(C)(C)[Si](C)(C)OCCN(C(=O)Cc1cc(C(=O)OC)ccc1)c2ccccc2	429
+CC(C)NC(Cc1cc(O)ccc1)=O	2458
+C(OCC)(Cc1cc(ccc1)O)=O	27
+c1c(cccc1O)CC(OC)=O	27
+FC(F)(F)c1ccc(Oc2cc(CC(O)=O)ccc2)c(c1)C=O	46
+c1c(cccc1O)CC(OC)=O	5957
+C(Nc1ccc(Cl)c(c1)Cl)(=O)Cc2cccc(c2)O	33
+c1csc(C(NCC(C(=O)OC)NC(=O)c2ccc(C(=O)NCc3cc(O)ccc3)cc2Cl)=O)c1	259
+C1COCCN1C2=NN(C(=O)c3ccccc23)NC(Cc4cc(ccc4)OC)=O	2487
+CC(C)(CO)C(=O)NCc1cc(ccc1)OC	9
+CC(C)(C)OC(NC(C(O)CNCc1cc(ccc1)OC)Cc2cc(F)cc(F)c2)=O	122
+CC1(C)C(C)(C)OB(O1)c2sc(cc2)C(=O)NCc3cccc(c3)OC	227
+C(c1cc(ccc1)OC)Nc2nc(Cl)ncc2Cl	40
+C=1(N(Cc2cc(ccc2)OC)C(=O)C=C(O)C=1)C	5958
+c1cc(ccc1-c2cc(ccc2C)-c3nnc(C)o3)C(NCc4cc(ccc4)OC)=O	14
+c1cc(ccc1C(=O)NCc2cc(ccc2)OC)C(=O)C	14
+c1c(cc(cc1)Nc2ncc(c(n2)NCc3cc(ccc3)OC)Cl)CCCO	55
+C(c1cc(ccc1)OC)OCCBr	552
+c1(Cl)cc2c(cc1O)OC=C(c3cc(ccc3)OCCCCC#N)C2=O	3535
+CC(C)(C#N)c1cc(F)ccc1C	2451
+c1ccccc1COc2cc(c(cc2)O)C(=O)OC	22
+c1c(ccc([N+]([O-])=O)c1COC(C)=O)C(=O)OC	283
+c1cc([N+]([O-])=O)c(cc1F)CSC	639
+CC(C)(C)Nc1nc(Nc2ncnc(c2)C=C)cc3C=CN(C(=O)c13)CCO	346
+c1cc(CC2c3cc(C(=O)O)[nH]c3CC2)c(C)cc1F	1
+CC(C)(C)OC(=O)n1c(C(=O)OC)cc2C(=O)CCc12	1552
+C(c1cc2c(CCC2c3cc(ccc3)Br)[nH]1)(=O)OC	3542
+C(c1cc2C(Cc3ccc(cc3C)F)CCc2[nH]1)(=O)OC	5959
+c1cc(ccc1Cl)C2CCc3[nH]c(cc23)C(OC)=O	3542
+C(c1cc2c(CCC2c3cc(ccc3)C#N)[nH]1)(=O)OC	160
+c1c(C#N)cc(cc1)C2c3cc(C(=O)O)[nH]c3CC2	1
+c1c(cc2c(OC(C)C(=O)N2)c1)CO	49
+c12OCOc1ccc(COc3c(C(=O)OC)c(C(OC)=O)ccc3)c2	20
+C(c1cc2c(N)cccc2[nH]1)(=O)OC	0
+CC(C)(C)OC(=O)n1c2c(cc(C)cc2cc1C(OC)=O)[N+]([O-])=O	389
+c1(cc2c(cc1)OCCO2)CCl	109
+c12ccc(cc1n[nH]c2)C(NC)=O	14
+c1(CC#N)ccc2c(c1)ccc(F)c2	2490
+c1c2cc[nH]c2cc(c1)C(N(OC)C)=O	280
+c1c(C=O)ccc2ccc(C#N)cc12	2492
+c1(cc2c(cc1)cccc2[N+]([O-])=O)C(=O)N	169
+n1n(CCCC)c2ccc(cc2n1)CO	49
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	82
+CC(C)(c1cc(C(Nc2cc(c(cc2)C)NC(c3cc4ncc(Cl)nc4s3)=O)=O)ccc1)C#N	864
+c1(CC#N)ccc2cc(OC)ccc2c1	163
+O=S(=O)(C)NCCc1ccc2cc(ccc2c1)OC	111
+C(c1cc2ccccc2cc1)(=O)Nc3ccc(CBr)cn3	223
+c12c(cccc1)c(CC(=O)OCC)nn2Cc3ccc(nc3)NC(c4cc5ccccc5cc4)=O	5960
+c12cc(CC(O)=O)n(c1cccc2)C	3
+n1c2cc(ccc2n(c1C)CC)C(=O)OC	47
+n1c(C)sc2ccc(cc12)C(=O)OC	272
+c1cc(ncc1Br)C(NCc2ccc(-c3cc(F)ncc3)nc2)=O	81
+O=S(=O)(C)NCc1ccc(nc1)-c2n(nc(C(N(CC)C)=O)c2)-c3ccc(OC)nn3	111
+c1(ccccc1COc2cc(C)c3c(c2)n(c(C)n3)Cc4c(cc(-c5occn5)cc4)Cl)C(OC)=O	505
+Clc1c(ccc(c1)C(N(OC)C)=O)Br	280
+c1ccccc1C(=O)c2cc(Cl)c(Br)cc2	358
+O(Cc1ccc(Br)c2oc(nc12)C)C	382
+CC(C)(C)OC(NCc1cnc(cc1)Br)=O	37
+c1(C=O)cc(Cl)c(CBr)cc1	1295
+CC(C)(C)OC(NCc1ccc(c(Cl)c1)C(=O)OC)=O	37
+c1cc(C(=O)OC)c([N+]([O-])=O)cc1CO	49
+O=S(=O)(C)OCCc1ccc(cn1)C(C)OCOC	7
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1ncc(C=CC(=O)NCCCCc2nc(NCC)c(C(NC)=O)cc2)cc1	711
+C1CC1NC(=O)c2cc(C=3C(=O)N(C)c4nc(ncc4C=3)SC)c(C)cc2	14
+c1(C=O)cc(I)c(C)cc1	5961
+C1CN(CCN1C)Cc2cc3nc(-c4cc(I)c(C)cc4)[nH]c3cc2	1127
+FC(F)(F)c1cccc(c1)NC(=O)c2cc(I)c(cc2)C	67
+FC(F)(F)c1c(-n2cnc(c2)C)ccc(c1)NC(=O)c3cc(I)c(cc3)C	67
+C(Cc1ccc(C)c(c1)F)(N)=O	83
+c1(ccc(C)c(c1)F)CN2C(=O)C(CC2)Br	1553
+Nc1c(C)ccc(C(=O)OC)c1C	0
+c1cc(ccc1Cl)C(=O)c2ccc(cc2Cl)C	222
+c1cc(ccc1)C(=O)NC(Nc2cc(ccc2CCC)C)=S	865
+C(c1ccc(C)nc1)NC(=O)c2cc(cc(c2)-c3ccc(cn3)C)Br	14
+N(Cc1cnc(cc1)C)C(c2nnn(CC(CCc3cc4c(nn3)[nH]c(-c5c(cccc5)F)c4)F)c2)=O	312
+c1(ccc(C)cn1)-c2cc(cc(-c3ccccc3F)c2)C(=O)NCc4cnc(cc4)C	11
+CC(C)C(=O)NNc1c(C(OC)=O)ccc(C)n1	1296
+Nc1cc(C(=O)O)ccc1CC	0
+C(c1ccc(nc1Cl)CNC=O)(=O)OC	707
+[N-]=[N+]=NCc1ccc(C(=O)OC)c(Cl)n1	5962
+C1CC(CCO1)Nc2c3c(n(CC)nc3)nc(CC)c2CNC(=O)CCC(=O)NCc4cc(Br)c(cc4)Cl	9
+C(c1ccc(Cl)c(c1)C=O)NC(CC)=O	39
+N1=NN(c2c(Cl)ccc(C(=O)OC)c2Cl)C(=O)N1C	2493
+c1([N+]([O-])=O)cc(C(=O)O)ccc1NCCCC	205
+CC(C)(C)OC(NCc1cc(C(=O)O)c(cc1)Cl)=O	37
+C1CC1NCc2c(ccc(c2)CNC(=O)CC)Cl	42
+C(O)c1c2c(c(Cl)cc1)nc3n2CCCN3c4ccc(cc4C)C(=O)N	295
+C(c1ccc(Cl)c2c1n3CCCN(c4ccc(cc4C)C(=O)N)c3n2)(=O)OC	2393
+C(c1ccc(Cl)nc1NCCc2cccc(F)c2)(=O)OC	70
+C(#N)c1c(cccc1)-c2nc(c(C(OC)=O)cc2)NCCc3cccc(F)c3	140
+CC(C)C(=O)NNc1nc(ccc1C(=O)OC)Cl	1296
+O1C(=Cc2ccc(F)c(Br)c2)c3c(C1=O)cccc3	5963
+C1CC(CCO1)Nc2c(c(nc3c2cnn3CC)CC)CNC(=O)CC(NCc4cc(Br)c(cc4)F)=O	3543
+c1c(CO)cc(Cl)c(F)c1	611
+c1(c(Cl)c(F)ccc1C(=O)O)C	1297
+C(=O)(OC)c1cc(Cl)c(OCc2cc(F)c(cc2)F)cc1	22
+c1cc(ccc1)OCC2=CN(C(C=C2)=O)Cc3cc(F)c(cc3)F	5964
+C(C#N)c1ccc(F)c(F)c1C	163
+OC(c1cc(F)ccc1COc2cc(F)ccc2)=O	6
+Nc1cc(C)c(CCC(OC)=O)cc1Br	38
+Nc1cc(c(cc1)CCN)F	51
+C(c1ccc(c2c1cccc2)-n3ccnc3SCC(OCC)=O)#N	5965
+c1(cc(C(=O)OC)c(O)cc1NC(C)=O)[N+]([O-])=O	77
+CC(C)(C)OC(=O)NCc1cc(C(O)=O)c(O)cc1	37
+c1cc(O)c(cc1CCO)F	21
+C1CN(CCC1Oc2ncnc(c2C)Oc3c(F)cc(cc3)CC(=O)O)C(=O)OC(C)C	185
+c1cc(O)c(cc1CC(OC)=O)F	27
+c1(ccc(OC(C)=O)cc1Cl)Cn2c3nc(cc(C)c3nc2C)C(=O)OC	1484
+c1cc(cc(Br)c1OC)CC(OCC)=O	27
+c1cc(cc(Br)c1OC)CC(OC)=O	27
+c12ccc(cc1CCN(C2)Cc3ccc(OCC)cc3C)C(C)NC(C)=O	131
+c1ccccc1CN(C(C)COc2cc(c(cc2)O)C(=O)N)CC(O)COc3ccc(c(c3)O)C(=O)OC	170
+S(C)c1ccc(CC(OC)=O)cc1Cl	27
+C1CN(CCO1)C(=O)Cc2ccc([N+]([O-])=O)c(F)c2	10
+Cc1ccccc1-c2c(C(OC)=O)ccc([N+]([O-])=O)c2	11
+c1([N+]([O-])=O)cc(Cl)c(cc1)C(=O)O	1
+c1ccccc1-c2cc([N+](=O)[O-])ccc2C(OC)=O	667
+CC(C)(C)OC(=O)N1CCN(CC1C)Cc2c(cc([N+](=O)[O-])cc2)Cl	131
+c1(cc(nc(SCc2ccc([N+]([O-])=O)cc2Cl)n1)O)C	3291
+c1ccccc1COc2cc(ccc2C(=O)OC)[N+]([O-])=O	22
+[N-]=[N+]=NCc1c(ccc(CC(=O)O)c1)O	1298
+c1cc2c(cc1OC)C(Cc3cc(c(cc3)Cl)Cl)C(CC2)=O	5966
+c1cc(c(cc1Cn2c3c(c(c(cc3)OC)OC(=O)C)cc2C(OC)=O)Cl)Cl	190
+Clc1c(n[nH]c1C)C(=O)N(Cc2cc(c(cc2)Cl)Cl)CCCC	147
+c1(Cl)c(ccc(CC(OC)=O)c1)O	27
+c1ccccc1NC(=O)c2cc(c([N+]([O-])=O)cc2)Cl	67
+c1ccccc1SCc2ccc(Br)c(OC)c2C(=O)OC	1128
+c1(C(Cl)=O)ccc(c([N+]([O-])=O)c1)O	82
+c1cc(c([N+]([O-])=O)cc1CC(OC)=O)O	27
+c1cc(ccc1)C(c2ccc(Cl)cc2C)NC(=O)Cc3cc(c(O)cc3)[N+]([O-])=O	9
+c1cc(CC)cc(c1OC)-c2cc(c(cc2)O)C(CCl)=O	5
+c1(c(cc(cc1)-c2scc(CC)n2)CCC)OCCCOc3ccc4c(c3)ccn4CC(=O)OC	5967
+Cc1nc(N)nc(NCCCCC)c1Cc2ccc(cc2F)CC(OC)=O	27
+C(C)OC(=O)c1ccc(c(c1)O)C	47
+C(C)OC(=O)c1ccc(c(c1)O)F	47
+c1(sc2CCCCc2n1)-c3ccc(c(OC)c3)OCCCOc4cc5CCC(CC(=O)OCC)c5cc4	5968
+c1cc(ccc1C#N)OCCCCOc2c(C)c(c(cc2)C(CCC)=O)O	8
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(OCC)=O)#N	984
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(NCC(=O)O)=O)#N	3
+C(c1ccc(c2ccccc12)-n3c(SCC(=O)O)ncc3Br)#N	3
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(NCC(=O)OCC)=O)#N	188
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(NCCC(=O)OCC)=O)#N	9
+c1c(Br)c(CNC(C)CO)ccc1C(=O)OC	370
+CC(C)(C)CCN1CCN(CC1)C(=O)CCc2ccc(cc2C)C(OC)=O	10
+[N-]=[N+]=NCc1cc(C)c(CCC(OC)=O)cc1	1298
+C(c1ccc(cc1C)CCl)CC(OC)=O	109
+C1CC(=O)c2cc(cc(C)c12)F	214
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CCOc3ccc(CCC(OC)=O)c(C)c3	267
+c1cc(ccc1)CN2CCC(Oc3cccc(NC(c4c(cc(cc4)F)Cl)=O)n3)CC2(C)C	330
+C1CC(=O)c2cc(cc(Cl)c12)F	94
+CC1(C)CON(Cc2ccc(NC(OC)=O)cc2Cl)C1=O	5969
+FC(F)(F)CCC(N(S(=O)(=O)c1ccc(cc1)Cl)Cc2ccc(C#N)cc2F)C(N)=O	3544
+[N-]=[N+]=NCc1ccc(cc1F)C(=O)OC	545
+C(c1ccc(OCC2CO2)cc1O)(=O)OC	72
+c1(c(OC)c(ccc1)CCCCCCOc2ccc(C(OC)=O)c(O)c2)OC	8
+c1(c(C(=O)O)cnc2c1cc(F)c(-c3ccco3)n2)O	5970
+C(c1ccc(cc1OC)OC)N2C=C(C(c3c2nc(-c4occc4)c(c3)F)=O)C(=O)O	108
+c1cc(ccc1NC(=O)Cc2cnc(cc2)Cl)C	33
+C1CCCCC1NCc2cnc(cc2)Cl	87
+C(c1ccc(-c2cc(F)ncc2)nc1)N	1299
+c1cc(ccc1C)-c2cc(cc(C(=O)N(CC(C)C)C)c2)C(NCc3cnc(Cl)cc3)=O	14
+c12n(c(Cl)c(C(=O)OC)cc1)cnc2	1905
+Oc1nc2nccnc2c(c1-c3ccc(nc3Cl)Cl)O	5971
+FC(F)(F)Oc1ccc(cc1)C=Cc2occ(n2)COc3ccc(CCCCn4ccnn4)nn3	485
+C(c1ccc2CCCN(c2c1)CCOC)n3ncc(C(=O)O)c3	6
+c1cc(ccc1)CN2CCCC(Cc3ccc4OCOc4c3)C2=O	1554
+CC(C)(C)OC(N(Cc1cc2c(OCO2)cc1)CCCBr)=O	23
+c1cc(ccc1)C(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)CN4CC(CC4)O	9
+c1c(C=O)cc2cc(c(OC)c(c2c1)OC)OC	39
+Clc1ccc(c(Cl)c1)CCNC(c2ccc3c(c2)ccn3-c4ccc(CC(OC)=O)cc4C#N)=O	14
+c1cc(ccc1OC)C(=O)NNC(Cc2cc3c(cc(C(OCC)=O)s3)cc2)=O	708
+C(c1ccc2c(cc(C)n2C)c1)n3ncc(C(=O)O)c3	6
+c12ccc(nc1ccc(c2)C(=O)OC)C	47
+C1CN(CCN1Cc2cc(C(NCc3ccc4c(nccc4c3)N)=O)cnc2)Cc5c(cccc5)F	56
+CC(C)(C(C(N1C(C(NCc2cc3c(c(N)ncc3)cc2)=O)CCC1)=O)NC(OCC)=O)SC(C)C	9
+c1cc(ccc1C(=O)c2cc(cnc2)C(=O)NCc3ccc4c(ccnc4N)c3)Cn5ncc(c5)C	56
+CC(C)(C)c1ccc(cc1)-c2oc3c(N4CCN(CC4)Cc5ccc6nccnc6c5)cccc3n2	131
+C(Cc1cc2nccnc2cc1)#N	163
+c1ccccc1NC=2C(N(C=CC=2)C(C(NCc3ccc4c(noc4c3)N)=O)OCC)=O	271
+C1CCCC1CNC(=O)Cc2cc3[nH]ccc3cc2	9
+n1c2c(ccc1)cc(cc2)C(=O)OC	47
+C(c1ccc2ncccc2c1)Nc3c(ncc(Br)n3)N	941
+C(c1ccc2ncccc2c1)n3nnc4c3nc(cn4)Br	3545
+c12c(C(=O)N(C1=O)CCON=C(c3cnc4c(n3)n(Cc5ccc6c(cccn6)c5)nn4)C)cccc2	332
+c1c(c(ccc1)F)-c2nc3c(nc2)nnn3Cc4cc5c(nccc5)cc4	356
+c1cc(ccc1)C(NC(Cc2cc3c(oc(Cc4cccnc4C)c3)cc2)=O)c5ccc(Cl)cc5C	9
+c1(ccc[nH]1)C(=O)NC	1938
+C1CC1NC(c2cccc(-c3csc4cnc(Cl)nc34)c2)=O	14
+c1cc(ccc1NC(C2CN(CC(C2)N=[N+]=[N-])C(=O)c3cc(-c4occc4)ccc3)=O)Cl	30
+c1cc(ccc1NC(=O)C2CN(C(=O)c3cccc(-c4occc4)c3)CCN2C(=O)OCc5ccccc5)Cl	30
+c1ccc(cc1C#N)C(=O)NN	296
+c1c(cc(C)cc1)C(NC)=O	14
+C1CN(CCO1)c2cc(c3nc(C)n(c3c2)Cc4c(C)c(C)ccc4)Br	505
+c1cc(ccc1)COc2c(cccc2C(OC)=O)C	22
+O=C(c1cccc(-c2cc(-c3ccc(O)c(C)c3)nc(O)n2)c1)O	5972
+c1cc(CO)cc(CC(=O)OCC)c1	1555
+C1CN(CCC1N(C(C)C)Cc2cccc(CC(=O)OC)c2)c3sc4c(ccc(c4)Cl)n3	131
+C1CCC(C1)CCC(Nc2c(CC)ccc([N+](=O)[O-])c2CC)=O	31
+C(c1cccc(Cn2c3c(nc2)c(nc(NCCCC)n3)N)c1)P(OCC)(=O)C	1484
+C(c1cccc(Cl)c1CBr)(=O)OC	29
+c1c(c(c(Cl)cc1)C)Cn2c(nc3c(cc([N+]([O-])=O)cc23)Br)CF	505
+C(c1c(CC#N)c(Cl)ccc1)(=O)OC	163
+Nc1c(Cl)cccc1C(=O)OC	0
+O(Cc1cccc(F)c1)c2cc3CCNC(=O)c3cc2	22
+C1CN(CCN1C(c2cccs2)=O)C3=C(C(=O)N(Cc4cc(ccc4)F)c5ncc(cc35)F)C#N	5973
+C1NCC2C(C)c3cc(Cl)c(cc3C12)OCc4cccc(F)c4	22
+CC(C)(C)OC(=O)N1CCC(CC1)Sc2ccc(cc2)OCc3cccc(F)c3	22
+CC(C)(C)OC(=O)NC(C1CC(C(=O)O1)Cc2cc(ccc2)F)Cc3ccccc3	2494
+CC(C)c1[nH]nc(c1Cc2ccccc2OCc3cc(F)ccc3)OC4OC(C(C(C4O)O)O)CO	22
+C[Si](C)(C)c1c2n(c(C(=O)OCC)cc2ccc1)Cc3cc(F)ccc3	190
+N1(C(=O)N(C)Cc2c(Br)cccc12)Cc3cccc(F)c3	1939
+c1(N2C(CC(C(OC)=O)C2)=O)ccc(c(C)c1)OCc3cccc(F)c3	22
+c1c(c(F)cc([N+]([O-])=O)c1)OCc2cccc(F)c2	22
+O(c1c(C(=O)OC)c(C(OC)=O)ccc1)Cc2cccc(F)c2	22
+c1cc(ccc1S(=O)(=O)C)C(Cc2cccc(F)c2)C(=O)OC	3546
+c1cc(ccc1)CNC(c2c(nc(N3CCN(Cc4cc(F)ccc4)C3=O)s2)C)=O	1083
+CC(C)(C)OC(N1CCC(CC1)(C#N)c2cc(ccc2)F)=O	3297
+N1(Cc2c(ccc(-c3n(C)ncc3Cl)c2)C1=O)C(Cc4cccc(F)c4)C=O	24
+C(c1cccc(F)c1)C(CO)N2Cc3c(ccc(-c4n(C)ncc4Cl)c3)C2=O	5974
+C1CN(CCC1NCCCc2cc(F)ccc2)CC3N4C(=O)C=NC=5C=CC(=O)N(C4=5)C3	110
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ncc(Cl)c(-c3nc(ccc3)NCc4cc(F)ccc4)c2	182
+FC(F)(F)c1cc2c(c(O)c(c(SCC)n2)C(NCc3cc(ccc3)F)=O)cc1	1556
+COC(OC)C(=O)NCc1cccc(F)c1	248
+O=C(OCC)C(=Cc1cc(c(cc1)-n2cc(nc2)C)OC)CCCCNCc3cccc(F)c3	110
+C(c1cccc(F)c1)N=C=S	985
+C(c1cccc(F)c1)NC(=O)c2c(cc(Cl)nc2Cl)C	56
+C(c1cccc(F)c1)Nc2cc(C#N)cc(Cl)n2	70
+C(c1cccc(F)c1)Nc2nc(Cl)cnc2	464
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F	285
+C1CN(CCN1C)CC=2N(Cc3cc(F)ccc3)C(=S)NN=2	3547
+C(c1cccc(F)c1)NC(c2c(cc(Cl)nc2NCC)C)=O	70
+C1CN(CCO1)c2cc(c(c(NCC)n2)C(=O)NCc3cc(ccc3)F)C	43
+C(c1cccc(F)c1)Nc2cc(cc(-c3cc(ncc3Cl)F)n2)C#N	1299
+C1CC(CCC1Nc2cc(c(Cl)cn2)-c3cc(C#N)cc(NCc4cccc(c4)F)n3)N	182
+C1CC(CCC1N)Nc2cc(ccn2)-c3nc(cnc3)NCc4cccc(c4)F	182
+C(c1cccc(F)c1)Nc2nc(-c3cc(F)ncc3)cnc2	1940
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3	142
+c1cc(Oc2cc(ccc2)CN3C(c4c(cccc4C3)I)=O)c(OC)cc1	854
+c1cc(ccc1OC)CN2C(c3c(cccc3C2)I)=O	854
+C(OCC)(Cc1cccc(N)c1)=O	27
+C(c1cccc(c1)NC(OCC)=O)C(=O)O	90
+c1c(N)cc(cc1)CC(OC)=O	27
+O=C1c2c(cccc2)C(=O)N1c3cc(CC(O)=O)ccc3	668
+C(c1cccc(NC(=O)c2n(nc(C)c2)C)c1)(=O)c3ccc4c(c3)NC(=O)C4C=O	1557
+c1cc(ccc1CCN(C)C)NC=C2C(Nc3c2ccc(C(=O)c4cc(NC(=O)c5cc(nn5C)C)ccc4)c3)=O	1300
+c1cc(ccc1NC(C)CN(C)C)NC=C2C(=O)Nc3cc(ccc23)C(=O)c4cc(ccc4)NC(c5cc(C)nn5C)=O	1300
+c1cc(ccc1-n2ncc3cc(ccc23)OC(c4cccc(c4)OC)C(C)N)Cl	669
+c1cc(ccc1F)-n2ncc3c2cc(C)c(c3)OC(C(N)C)c4cc(ccc4)OC	669
+C(c1cccc(Sc2c([nH]c3cc(Cl)ccc23)C)c1)C(=O)O	1502
+Clc1ccc2c(Sc3cccc(c3)CC(OCC)=O)c([nH]c2c1)C	27
+CC(C)(C)OC(NCc1cccc([N+](=O)[O-])c1)=O	37
+c12cc([nH]c1ncc(c2)CNCc3cc(ccc3)[N+]([O-])=O)C(OC)=O	249
+c1cc(ccc1)-c2c(F)cc(OC)c(c2)C(=O)NCc3cc(ccc3)[N+](=O)[O-]	14
+O=S(=O)(Cc1cc([N+](=O)[O-])ccc1)C	1547
+C(c1cccc([N+]([O-])=O)c1)n2ncc3cnc(nc23)Nc4cnn(c4)C	486
+C(c1cccc(N)c1)n2ncc3cnc(nc23)Nc4cnn(c4)C	0
+c1([N+]([O-])=O)cccc(C(=O)OC)c1CBr	29
+Nc1c(c(C(=O)OC)ccc1)F	0
+Nc1cccc(C(=O)OC)c1O	0
+NNC(=O)c1cccc([N+]([O-])=O)c1O	296
+c1(C(NCC)=O)cccc(C(=O)OC)c1	14
+c1c(cc(cc1)CCl)C(NC)=O	14
+CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCCNC(=O)c3cccc(F)c3)C4CCC4	14
+O1C(=O)C(C(OC1(C)C)=O)C(c2cc(F)ccc2)=O	3548
+[nH]1c2c(c(NC(c3cccc(c3)F)=O)c1)c(F)c(cn2)Br	487
+CC(C)(C)OC(c1cc(ccc1)I)=O	1075
+c1ccc(cc1C(=O)OC)I	47
+c1c(C(NC(C)CO)=O)cc(I)cc1	14
+c1ccccc1COC(=O)c2cccc(I)c2	470
+C(OC(=O)Nc1cccc(CCO)c1)C	21
+C1CN(CCC1)C(c2cc(ccc2)Nc3c4c(cc[nH]4)ncn3)=O	30
+C1C2CC3CC(CC1(C3)CO)C2NC(c4cccc(OCCc5ccccn5)c4)=O	14
+C(C)OC(=O)c1cccc(c1)SCC(=O)C	47
+c1(cccc(c1Br)C#N)COC(C)=O	283
+CC(C)(C)c1ccc(cc1)N2Cc3c(C2=O)c(ccc3)Br	5975
+c1nc(ncc1)-c2cccc(c2)CCN3C(=O)c4c(cccc4C3)Br	854
+FC(F)Oc1ccc(C(N2Cc3c(C2=O)c(ccc3)[N+](=O)[O-])CC(=O)OC)cc1OCC	5976
+c1(c(c(C)ccc1)OCC#N)COCCCNc2ccc3c(cccc3)n2	149
+O(Cc1c(c(C)ccc1)OCC#N)c2cccc(O)c2	22
+c1ccc2ccc(nc2c1)COCCCCOCc3cccc(C)c3OCC#N	149
+Nc1c(C(=O)OC)cccc1O	0
+C(Cc1cccc(n1)N)SC(=O)C	2495
+C(c1cccc2c1c(C)ccc2)n3c(nc4ccccc34)SCCCC(=O)O	3
+c1c(c2c(cc1)ccn2C)CC(N)=O	645
+c1c2c(cccc2ccc1F)Cn3c4ccc(cc4c(CC(OCC)=O)c3C(OCC)=O)F	190
+c1(ccccc1-c2[nH]nc(N)c2)Br	1941
+C1(C(CC)=CN(C2CC(O)C(CN(C)C(Cc3ccccc3Br)=O)O2)C(N1)=O)=O	58
+CC(C)CC(Cc1c(cccc1)Br)C(O)=O	1917
+C(C(=O)Cl)c1ccccc1CN=[N+]=[N-]	130
+c1(-c2cn(CCc3ccccc3Cl)cn2)nccc(C(=O)N)c1	541
+C(C(C)c1ccccc1F)(=O)OC	643
+C1C2(CC1(C2)NC(C)=O)OC(c3c(cccc3)OC(=O)C)=O	279
+c1(C(Nc2cc(ccc2)F)=O)ccccc1OC(=O)C	50
+O=S(=O)(c1ccccc1CCl)CC	593
+CC(C)C(N1CCN(CC1)c2ccc(NC(c3ncccc3)=O)cc2Cl)=O	772
+c1(nsc2ccc([N+]([O-])=O)cc12)NCCNC(=O)c3ccccn3	1938
+c1cc(ccc1)NC(c2ccccn2)=O	772
+O=S(=O)(c1ccc(cc1)NC(c2ccccn2)=O)Nc3c(cccc3)Cl	772
+C1CC(CCC1NC(c2cccnc2)=O)=Cc3cc([N+]([O-])=O)ccc3	1281
+C1COCCN1Cc2c(nc(NC(=O)c3cnccc3)s2)-c4occc4	1931
+CC(C)(C#N)c1cccc(C(Nc2cc(ccc2)N(C)c3ncc4c(sc(NC(c5cnccc5)=O)n4)n3)=O)c1	1931
+c1c(C(=O)Nc2c(C(=O)N)cc(cc2C)Br)cncc1	971
+C1CN(CCC1Oc2c3cnn(c3ncn2)-c4ccc(cc4)S(=O)(=O)C)C(c5cccnc5)=O	1558
+c1ccccc1CNc2nccc(-c3c(-c4cccc(C)c4)nc(NC(c5cnccc5)=O)s3)c2	1931
+c12c(c(C(=O)C)c(O)nc1nccc2)O	5977
+c1(cccnc1NC(c2sc(cc2)Cl)=O)C(=O)O	1
+C1CN(CCN1C(=O)c2occc2)C=3c4cc(ccc4N(C)C(=O)C=3C#N)F	2496
+C(OCC)(Cc1csc(C(=O)c2occc2)c1)=O	3549
+FC(F)(F)C(c1c(cccc1)NC(c2occc2)=O)O	1129
+Clc1ccc(cc1C(=O)O)NC(=O)c2occc2	1129
+c1cc(ccc1)C(C(NC(=O)c2occc2)C)Oc3cc4cnn(c4cc3)-c5ccc(cc5)C(OC)=O	5978
+c1cc(ccc1-c2sc(cc2C)C(=O)c3occc3)F	3549
+c1cc(ccc1S(=O)(=O)C)-c2cc3c(N(C(=O)C)C(CN3C(c4occc4)=O)C)cn2	5979
+c1cc(ccc1F)CN2c3ccc(cc3C(=C(C#N)C2=O)N4CCN(CC4)C(=O)c5occc5)C	2496
+c1ccccc1CN2c3ccc(cc3C(=C(C2=O)C#N)N4CCN(CC4)C(=O)c5occc5)Cl	2496
+c1cc(ccc1S(=O)(=O)ON=C(C#N)c2cccs2)OC(=O)C	5980
+C1CC(CCN1CCc2c(ccc(NC(c3cccs3)=O)c2)C)c4c5cccc(Cl)c5[nH]c4	864
+c1(ccc(C(c2cccs2)=O)c3CCCCc13)OCC(OC)=O	5981
+Clc1ccc2N(C(=O)C)C(=O)C(C(c3sccc3)=O)c2c1	5982
+c1ccc(NC(c2sccc2)=O)cc1C#C	864
+c1cc(ccc1)CNc2nc(NC(c3cccs3)=O)c(-c4nnn[nH]4)cn2	5983
+c1cc(ccc1C(=O)OCC)-c2c(C)ccc(NC(c3cccs3)=O)c2	864
+c1cnccc1OCCCNC(=O)c2cccs2	1256
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCN(C(=O)c4cc(ncc4)-n5ccnc5)C3)C(N)=N1	30
+C1CN(CCO1)CCOc2ccc(c3c2cccc3)NC(c4cc(ncc4)Cl)=O	50
+c1cc(ccc1F)C2CN(CC23CCN(CC3)Cc4ccccc4)C(=O)c5cc(Cl)ncc5	115
+c1(nccc(c1)C(=O)OC)N2NC=C(c3cnccc3)C2=O	47
+c1ccccc1CNC(c2cc(N3NC=C(C3=O)c4cccnc4)ncc2)=O	14
+CCCc1c(N)c(ncc1)C(=O)N	314
+FC(F)(F)c1cnc(c(c1)NC(=O)c2ccncc2Cl)O	660
+C1CCCC1CC(Nc2cc3c(cc2)n(cc3Cc4c(cc(C(=O)O)cc4)OC)C(=O)C)=O	33
+C1CCCC1OC(=O)Nc2cc3c(cn(C)c3cc2)Cc4ccc(C(=O)OC)cc4OC	90
+C(c1cn(c2ccc(N)cc12)C(=O)C)c3c(cc(C(=O)O)cc3)OC	0
+C(c1cn(c2ccc(N)cc12)C)c3c(cc(cc3)C(=O)OC)OC	0
+CC(C)c1n(nnn1)-c2cc(C(=O)NCc3ncc(nc3)C)cc(-c4ccc(cn4)Cl)c2	14
+Cc1cccc2c1ncc(C(=O)CCC)c2Nc3cc(OC)ccc3OC	179
+Cc1cccc2c1ncc(C(=O)CCC)c2Nc3ccccc3OC	179
+C(CCC)(c1c(c2cccc(C(=O)C)c2nc1)Nc3ccc(cc3C)O)=O	179
+C(CCC)(c1c(c2cccc(c2nc1)O)Nc3ccc(cc3C)F)=O	179
+C(c1cnc2c(cccc2c1Cl)O)(CCC)=O	390
+c1c(nc(cc1)NC(=O)Cc2cncc(-c3cc4CCC(N(c4cc3)C)=O)c2)C	142
+C(c1cncc(-c2cc3CCC(N(c3cc2)C)=O)c1)C(=O)O	156
+CN(C)C(=O)Cc1cc(Br)cnc1	10
+n1cc(cc(c1)CC(OC)=O)Br	167
+c1ccccc1Nc2nc(ccc2C(NC)=O)C#CCCNC(=O)NCc3cccnc3	2348
+C(c1cnccc1)n2c(nnn2)-c3c(Cl)c(Br)ccc3	2497
+C(c1c(scc1)Br)C(CCCC)CC	407
+Clc1cccnc1-n2cc(Br)cc2C=O	986
+n1(c(CNC)cc2ccccc12)C	729
+C(c1nc2c(C)cc(cc2n1CCO)Br)CC	44
+FC(F)(F)C(C)(C)c1c(cc(cc1F)C2CC2C(=O)NCC(=O)c3nccn3CC)F	612
+c1(nc(C)ccc1Cl)C(=O)OC	128
+FC(F)(F)COc1ccc(OCc2ccccc2)cc1C(=O)NCc3nc(ccc3)O	93
+O=S(=O)(OCCn1c2c(nc1CCC)c(C)cc(c2)Br)C	7
+CONCCCCn1c(CCC)nc2c(N)nc3cccnc3c12	2498
+CC(C)=Nn1c2c3ccc(Br)cc3ncc2nc1CCC	5984
+C(c1nc2c(N)nc3cccnc3c2n1CCCC=NOC)CC	461
+C(c1nc2cnc3cccnc3c2n1CCCC=NOC)CC	410
+C(c1ncccc1)(O)c2cc(c(N)cc2)OCC	0
+c1c(Cc2cn3c(cccc3)c2C(=O)OC)c(c(F)cc1)C	5985
+c1c[n+]([O-])c(cc1)CCC	341
+C(c1ncccc1)CCCCCl	723
+N#CCOc1c(COc2cccc(c2)OCCc3ccccn3)cccc1C	20
+c1cc(ccc1)CN2CCC(CC2)Nc3nc(ncc3Br)NCc4ccccn4	96
+CC(C)(C)NS(=O)(=O)c1cc(cnc1)-c2nnc(c3c2cccc3-c4ccccc4)NCc5ccccn5	232
+CC(C)(C)OC(NCc1ccccn1)=O	37
+Cc1c(-c2cc3c(cc2OC)c(c([N+]([O-])=O)cn3)NCc4ncccc4)c(C)on1	105
+Cc1nc(nc(O)c1C)NCc2ncccc2	785
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)CCN(c3cc([N+]([O-])=O)c(C(NCc4ccccn4)=O)cc3)C1	14
+FC(F)(F)c1cc(nc(NCc2ncccc2)c1)Cl	70
+C(OC(OCC)c1ncc(C(=O)NCc2ccccn2)c(C)n1)C	5986
+O=C(OCC)C(=O)NCc1ncccc1	2499
+O=S(=O)(c1cc(ccc1)C(O)=O)NCc2ccccn2	71
+C(NCc1c(cccc1)OC)c2ccccn2	3550
+C(Nc1c2c(Br)csc2ccn1)c3ncccc3	2500
+c1([N+]([O-])=O)ccc(nc1)NCc2ncccc2	70
+c1(ccc(OC)cc1-c2nc3c(cccc3CNCc4ncccc4)o2)OCOC	5987
+c1c2CCCC(N(C)Cc3nc4c(cccc4)n3CC(=O)NCc5ncccc5)c2ncc1	9
+c1ccccc1-c2c(c(on2)C)COc3ccc(cn3)C(=O)NCc4ccccn4	56
+c1cc(ccc1)-c2c3c(ccc2)nc(Cl)nc3NCc4ncccc4	40
+c1ccccc1-n2ncc3c2ncnc3NN=Cc4ccc(cc4)C(NCc5ncccc5)=O	14
+c1cc(ccc1F)CN2C(N(CC2)c3nc(c(C(=O)NCc4ccccn4)s3)C)=O	454
+c1cnccc1SCCCNCc2ccccn2	1130
+c1ccccc1-c2c3c(nc(nc3NCc4ncccc4)Cl)sc2	1108
+c1ccccc1CN2C(CCC2=O)C(NC(Cc3ccccc3)C(C(NCc4ncccc4)=O)O)=O	9
+C(c1nccs1)N2C(C(Br)=CC(C(=O)OC)=C2CBr)=O	1093
+O=S(=O)(c1ccc(cc1)C)N(CC=2N(C(C(Br)=CC=2C(OC)=O)=O)Cc3sccn3)CC(=O)OC	3551
+C(c1nnc2N(CCCCC)c3nc([nH]c3C(=O)n12)Br)c4cc(ccc4)Br	866
+n1c(cc(CCCc2cc3c(cccc3)cc2)o1)C(=O)NCC4OCOC4	81
+C1CN(CCO1)C(=O)c2ccc(-c3nc(ncc3)SC)s2	867
+FC(F)(F)C(CC(=O)c1sc(c2c1CCC2)C(OC)=O)(c3cc(Cl)c(c(c3)Cl)F)O	3552
+CC(C)(C)OC(CCNC(c1ccc(Cl)s1)=O)=O	227
+s1c(C(=O)OC)ccc1Cl	1532
+c1cc(-n2cnc(CNC(c3sc(cc3)Cl)=O)c2)ncc1Br	227
+c1cc(ccc1I)-n2cnc(CNC(c3sc(cc3)Cl)=O)c2	227
+C(C)C(CC)Nc1ccc(cc1NC(Cc2ccc(Cl)s2)=O)C(OC)=O	33
+CN(C)C=CC(c1c(c2cc(ccc2s1)Cl)CC)=O	277
+C(CCc1cccs1)CCC	2501
+C(n1c(-c2c(ccc3[nH]ncc23)C)nc(c1Cl)Cl)CCC	1559
+C(n1c(-c2c(C)ccc(c2C)N)nc(c1Cl)Cl)CCC	0
+c1(ccccc1Br)Cn2c(N3CC(N)CCCC3)nc4c2C(NC(=O)N4C)=O	1811
+c1cc(ccc1)CCN2C(=O)c3c(nc(Br)n3Cc4ccccc4Br)N(C)C2=O	1474
+c1c(CC)nn(CC(O)=O)c1CC	3
+CC(C)(c1c(nc(nn1)-c2c3c(n(Cc4c(F)c(F)ccc4)n2)nc(C)cc3)O)C(=O)OC	3553
+C(n1c2c(c(n1)C(NN)=N)ccc(C)n2)c3cccc(F)c3F	3554
+O=S(=O)(c1ccccc1[N+]([O-])=O)NCCCCn2c3c4c(cccc4)nc(N)c3nc2CCOC	71
+C(COC)n1c2ccc(C(=O)O)cc2nc1-c3cc4c5ccccc5n(CC)c4cc3	1301
+c1cccn2c1ncc2C(Nc3cccc4n(CC=5C(=O)N(C(=CC=5)C)C)nc(CC)c34)=O	5988
+CC(C)CC(NC(C1CCCCC1NC(c2n(c3ccccc3c2)CCCCl)=O)=O)C#N	81
+c1cc(ccc1OCCn2cncc2)[N+]([O-])=O	57
+Clc1nc(nc(Cl)n1)Nc2cn(CC#N)cn2	3555
+[N-]=[N+]=NCCn1cnc2cc(ccc12)C(=O)OC	558
+c12c(cccc1)C(=O)N(C2=O)CCCCc3n(CC)nc(C#N)c3Br	851
+n1(C=C)cc(cn1)C(=O)OCC	5989
+CC(C)(C)OC(=O)n1nc(N)c2c1ccc(C3C(=C(C)NC(=C3C#N)C)C#N)c2	868
+C1CCCCC1NC(C2=C(O)c3c(ccc(c3)F)N(C2=O)C)=O	1112
+c12cc(C)ccc1N(C(C(C(=O)OCC)=C2OC)=O)CCCCCC	5990
+c1(C(CNCC(=O)OC)=O)c(O)c(NC2=C(OC)C(=O)C2=O)ccc1	5991
+C=1(O)c2c(N(C(=O)C=1C(C=Cc3cc(ccc3)NC(=O)COC)=O)C)nccc2	3556
+CN(C)C=CC1=C([N+]([O-])=O)C(=O)NC(=O)N1	3557
+C1CC1c2cc(ccc2-n3nnc(c3C)C(=O)NC=4C(=O)N(c5ccccc5F)N(C=4C)C)Cl	5992
+C1(=C(N=C2N(C1=O)C=C(F)C=C2)COC(C)=O)Br	3558
+C=1(C(N2C(=NC=1CO)C=CC(F)=C2)=O)Br	2502
+C1(CCCC(c2ccc(OCOC)cc2OCOC)C1)CO	3559
+n1c(C#N)c(Cl)cc(C(=O)OC)c1Cl	5993
+n1c(C#N)c(Cl)cc(C(=O)OC)c1-c2cc(F)ccc2	5994
+COc1ccc2c3C(CCCc3[nH]c2c1)=O	5995
+C1(=CC(Oc2cc(ccc12)O)=O)CCO	5996
+c1ccccc1COc2cc3c(cc2)C(=CC(=O)O3)CCO	22
+CC(C)(C)OC(=O)CN1C(N(C)C=C([N+](=O)[O-])C1=O)=O	3560
+FC(F)(F)c1cc(Oc2ccc(cc2)CSc3ncc(Cn4ccc5ccccc45)c(O)n3)ccc1Cl	3561
+O=S(=O)(OCCN1C(Cl)=CN=C(NCCc2ccccn2)C1=O)C	5997
+C1(=NCCc2ncccc2)C(N(C(=CN1)Cl)CCO)=O	59
+C(=O)(c1n(-c2c(Cl)cccn2)nc(Cl)c1)Nc3c(C)cc(C#N)cc3C(=O)NC	1302
+C1(=Nc2c(C)cc(C#N)cc2C(O1)=O)c3cc(nn3-c4ncccc4Cl)Cl	1942
+c1cc(ccc1)SCCCOc2nnc(O)c(c2Cl)Cl	5998
+C12=C(C(=O)N(CCCC)C=C1CCCC2)C(=O)O	5999
+C1(=O)C(=O)Nc2c(cc(c(c2[N+](=O)[O-])N)Cl)N1	6000
+C1(Nc2cc(c(c(c2NC1=O)N)N)Cl)=O	0
+OC(c1c(cc2c(c1)CCC2)N)=O	3562
+C1CC(c2cccc(Cl)c12)N3C(N(c4cc5c(N(C(S5)=O)C)cc4)C=C(c6nnn[nH]6)C3=O)=O	3563
+C1(C(=CN(c2cc3c(N(C(S3)=O)C)cc2)C(=O)N1C4c5cccc(c5CC4)OC)C(=O)O)=O	108
+c1c(nccc1)CN(Cc2ccccn2)CC(NC3C(=O)N4C3SCC(=C4C(OC)=O)COC(C)=O)=O	224
+C1(=O)C(=O)Nc2c(cc(c(c2[N+](=O)[O-])N)Cl)N1	3564
+C1(=O)C=CC(=O)N1CCCCN2C(=O)N=NC2=O	6001
+CC1(C)CC2=C(C(c3ccc(Sc4[nH]c5ccccc5n4)o3)c6c[nH]c(c6N2)C(=O)OCC)C(=O)C1	2503
+CC1(C)CC(=O)C2=C(NC(=C(C2c3ccccn3)C(=O)OCC)COCCN=[N+]=[N-])C1	6002
+C1c2c(cccc2OC)C3CCNC3C1	15
+CC(C)CC(C(=O)NC)NC(=O)C(CC(C)C)CP(=O)(O)CN1C(CCC1=O)=O	1560
+C1(=O)CCC(=O)N1Cc2ccc3c(nc(cc3-c4ccc(cc4)F)C(N)=O)c2F	247
+C1(=O)CCC(=O)N1Cc2c(F)c3c(cc2)c(cc(n3)C(=O)O)-c4ccc(cc4)F	1
+C1CN(CCN1C=2c3c(Nc4c(cc(CNC(=O)CCC(=O)OC)cc4)N=2)sc(c3)C)C	1280
+O=S(=O)(c1cnc(cc1)OCCC2CC2C3CCN(CC3)C(OCC4CC4)=O)C	613
+C1CC(CCN1C(OCC2CC2)=O)C3CC3CCOc4cc(F)c(CC(=O)N5CCC5)cc4	613
+n1c(C)sc2c1CCCC2=O	6003
+c12sc(nc1CCCC2=O)NC	3565
+C1CC(CCN1c2nc3c(cccc3)cc2)CCN4C(OCC4=O)=O	2504
+c1cc(ccc1CCN2C(COC2=O)=O)-n3ccc4cccnc34	2504
+c1cc(ccc1Br)CCN2C(COC2=O)=O	2504
+c1cc(ccc1)C(c2ccccc2)=Nc3cnc(c(C4(NC(=O)COC4)CF)c3)Cl	6004
+C1(=O)COCC(CF)(c2cc(Br)cnc2Cl)N1	559
+Clc1cnc(cc1)C(Nc2nc(C3(CF)COCC(=O)N3)ccc2)=O	6005
+C1(=O)COCC(c2nc(ccc2)Br)(CF)N1	559
+C1CN(CCN1c2ccccc2OC)CCCCN3C(CSC3)=O	28
+CC(C)(C)OC(=O)C(ON=C(c1cc(Cl)c(O)cc1)C(=O)NC2C3SCC(CSc4nnnn4C)=C(N3C2=O)C(=O)O)C	471
+CC(C)ON=C(C(NC1C2SCC(CSc3nnnn3C)=C(N2C1=O)C(=O)O)=O)c4csc(NC=O)n4	471
+O=C(C(=NOC)c1csc(N)n1)NC2C(=O)N3C(=C(CSc4n(C)nnn4)CSC23)C(=O)O	471
+[N-]=[N+]=NCCON=C(C(=O)NC1C(=O)N2C(=C(CSc3n(C)nnn3)CSC12)C(=O)O)c4csc(NC=O)n4	471
+O=S(=O)(c1n(CC(=O)NC2C3N(C2=O)C(C(=O)O)=C(CSc4nnnn4C)CS3)ccn1)C	952
+CC(C)(C)OC(CON=C(C(NC1C(N2C(C(O)=O)=C(CSC12)COC(=O)CC(=O)C)=O)=O)c3nc(sc3Br)N)=O	471
+C1CC1CN2C(NC(C=C2Cl)=O)=O	6006
+C1(=O)NC(C(=O)N1)CC(OC)=O	27
+c1cc(ccc1OC)CN2C(C(NC2=O)CC(OC)=O)=O	6007
+C1(=C(C(NC(=O)N1)=O)[N+]([O-])=O)C	2429
+C1(=O)NC(NC(=O)C12C3N(c4c(cc5c(CO)noc5c4F)C2)CC(C)OC3C)=O	194
+O=C1NC(NC(=O)C12C3C(OC(C)CN3c4c(cc(CO)c(F)c4F)C2)C)=O	59
+C1(COc2c(c(F)c(cc2)CCCl)N1C)=O	239
+C1(=O)Nc2c(OC1)cccc2OCC(OCC)=O	52
+C(OC(COc1cccc2OCC(=O)N(c12)C)=O)C	239
+c12c(N(C(C(N1)=O)=O)N)cc(Br)c(c2[N+]([O-])=O)Br	6008
+c12ccccc1OCCN2	15
+c1cc(ccc1)CC(c2ccc3OCC(Nc3c2)=O)=O	94
+c1(OC)cccc2C(NC(=O)c12)=O	6009
+c1c2CC(C3CC(N(C)C3=O)=O)C=Cc2ccc1	3566
+N1NC(c2cc(Br)ccc2C1=O)=O	6010
+c1ccccc1C(=O)c2cc(ccc2C(=O)O)Br	1943
+c1cccc2C(=O)N(C(=O)c12)CC(Cc3ccc(cc3)F)NC(c4cc(-c5c(Br)cnn5C)c(s4)Cl)=O	227
+c1cccc2C(=O)N(C(=O)c12)CC(NC(=O)c3csc(-c4n(ncc4Cl)C)n3)Cc5cccc(F)c5	2405
+c1cccc2C(=O)N(C(=O)c12)CC(NC(c3cc(-c4c(C)cnn4C)c(Cl)s3)=O)Cc5cccc(F)c5	227
+c1ccccc1Cn2c(CN)nnn2	45
+c1cc(ccc1[N+]([O-])=O)COC(c2cc(cc(c2C)O)N3C(=O)c4c(C3=O)cccc4)=O	470
+C1(=O)c2c(C(=O)N1c3ccc(c(c3)F)CC#N)cccc2	163
+C(c1ccc(N)cc1F)C#N	2505
+c1(N)c(c(Cl)ccc1C(=O)O)C	6011
+C1(=O)c2c(Oc3c(CBr)cccc13)cc(Cl)cc2	29
+CN(C)C(C1CCN(CC1)c2ccnc3c2c(C=C4Oc5cccc(O)c5C4=O)cn3C)=O	2506
+C1(=O)c2ccc(C(Cl)=O)cc2Sc3ccc(cc13)C	82
+C1(=O)c2ccc(cc2Sc3ccc(cc13)C)C(=O)OC	279
+c12OCCc1c3[nH]ccc3cc2	1561
+N1(c2c(F)cccc2C(=O)C1=O)C	3567
+c12c(F)cccc1C(=O)C(N2CCF)=O	6012
+C(=O)(c1c2c(c(F)ccc2)[nH]n1)O	6013
+O=C1c2c(C(=O)N1C(CC(CN3C(=O)c4ccccc4C3=O)=C)C(F)F)cccc2	6014
+C1CC(CCC1N)C2Oc3c(cnc4ccc(OC)nc34)NC2=O	45
+C1CC(CCC1N)OCC	45
+C1CC(CCC1OCCC)N	45
+C1CC(CCC1Oc2ccc(cc2)C(OCC)=O)N	45
+C1C(c2cccnc2)CC(N)C1	45
+NC1Cc2c3cc(C#N)ccc3n(Cc4nc(ccc4)F)c2C1	45
+CC(C)(C)OC(NCC=1N(C(=O)c2c(C=1OCCCC)cc(cc2)Br)CC3CC3)=O	2507
+c1ccc2c(c1)C(=O)N(C2=O)CCN3C(C)COCC3C	28
+C1CN(CCC1N2c3c(N(CCN4C(c5c(C4=O)cccc5)=O)C2=O)cccc3)C6CC7c8c(cccc68)CCC7	3285
+c1cccc2C(=O)N(C(=O)c12)CCOc3ccn4c(c(c(-c5ccccc5)n4)C=6C=CC(N(N=6)C(C)C)=O)c3	8
+c1ccc2C(=O)N(C(=O)c2c1)CCn3cnc(C(OC)=O)c3	541
+O=C1c2ccccc2C(=O)N1CCOc3c(-c4ccccc4)nc5c(cccc5)c3C(=O)NC(CC)c6ccccc6	458
+O=C1c2ccccc2C(=O)N1CCOc3c(cc(c(-c4ccccc4Cl)n3)-c5ccc(cc5)Cl)C#N	1923
+c1cc(ccc1CC=2c3c(cccc3)C(N(N=2)CC4CCCN4CCN5C(c6c(C5=O)cccc6)=O)=O)Cl	28
+c1cc(ccc1)C(c2ccccc2)OCC3CCN(CC3)CCN4C(=O)c5c(C4=O)cccc5	28
+C(CCCCCCCCCCCCCCC(O)=O)CN	45
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3C(=O)C(c4cc5c(OCO5)cc4O)c6ccccc36	462
+CC1(C)C(N(c2ccc(OCCCN)cc2N(C)C1=O)CC)=O	45
+c1cc(ccc1)C=2C=CC(N(CCN)N=2)=O	45
+c1(CN)c(C)onc1CCCC	45
+O=S(=O)(c1sc(cc1)CN2C(c3c(C2=O)cccc3)=O)Cl	2508
+FC(F)(F)c1cccc(S(=O)(=O)N2CCC(CC2)ON3C(=O)c4ccccc4C3=O)c1	92
+c12c(C(=O)N(C1=O)OCCOS(=O)(=O)C)cccc2	7
+C1(=O)c2ccccc2C(=O)N1c3nc(c(c(C)c3)C)Cl	174
+c1c2c(ccc1)C(=O)N(C2=O)c3cc(Br)n(Cc4ncccn4)n3	3568
+c1cccc2C(=O)N(C(=O)c12)c3cc(CC)n(n3)Cc4cc(ccc4OCC(C)C)Cl	309
+O=C1c2ccccc2C(=O)N1c3nn(c(c3)C)Cc4c(cccc4)OC	1944
+n1c(Cl)c(c(C)cc1N)C	1131
+[nH]1c(nc2c1C(=O)n3c(nnc3N2CCCCC)CCN)Br	866
+C1(=S)N(CCCCC)C(N)=C(N)C(=O)N1	721
+C1CCC1C(NC=2N(CCCCC)C(NC(=O)C=2N)=S)=O	6015
+C1(=S)N(C(=C(C(=O)N1)N=O)N)CCCCC	863
+C1(=O)C(=C2CCCCC2=CN1CCCC)C#N	6016
+FC(F)(F)COc1ccc(cc1)N2C(=S)NC=3C(=O)N(C=CC=3C2=O)Cc4c(OC)cc(cc4)OC	6017
+C(CC)CN1C(N)=C(N)C(NC1=O)=O	721
+NC=1C(NC(=O)N(CCCCC)C=1N)=O	721
+NC1=C(N)C(NC(=O)N1)=O	721
+FC(F)(F)C(NCC#CC1=CN(C2OC(C(O)C2)CO)C(NC1=O)=O)=O	6018
+c1ccccc1C(c2ccccc2)(c3ccc(cc3)OC)OCC4OC(N5C(=O)NC(C(I)=C5)=O)CC4O	604
+O=S1(=O)CCC(c2c1c(cc(c2C)C(OC3=CC(=O)CCC3)=O)C)OC(c4ccccc4)=O	6019
+c12N(C(CF)C)C(Cc1cccc2)=O	1562
+C1(=O)Nc2c(c(Br)c([N+](=O)[O-])c(Br)c2)NC1=O	77
+c12c(c(c(CC)cc1NC(=O)C(=O)N2)CC)[N+]([O-])=O	31
+C(OC(C1Cc2c3cc(OC)ccc3[nH]c2C1)=O)C	27
+O=C1CCC(=O)N1CCOc2c(OC)cc3C=4N(C=C(C(=O)C=4)C(=O)OCC)C(CC)Cc3c2	8
+CC(C)COc1cc2c(C=3N(C=C(C(=O)C=3)C(=O)OCC)C(CC)C2)cc1OC	8
+O=C1N(c2cc(OC)ccc2C(C)=C1)CCN3CC(C(OCC)=O)N(CC3)CCc4ccc5c(c4)OCCO5	61
+C1CC(C(C(=O)C=[N+]=[N-])CC1)C(=O)OC	1945
+c1(SC)nc(OC)c(I)c(NC2CC(CO)C(O)C2O)n1	40
+c1(ccc(CNC2C3CCC(C3)C2C(OC)=O)cc1C)F	42
+O=C(CNC(=O)C=1C(=O)N(Cc2c(F)cccc2)n3cccc3C=1O)O	3569
+C1C(OC(=O)C)C(OC(C)=O)C(OC(=O)C)C(O1)n2c(Br)nc3cc(c(F)cc23)F	3570
+C1CN(CCN1c2cc(ccc2OC(C)C)F)CCCN3C(C(=C(C3=O)C)C)=O	3433
+C1C(c2c([nH]c3c2cccc3)SC1)C(=NC)C	6020
+FC(F)(F)Oc1cccc(-c2cc(NC(=O)C3CNC(=O)C3C)nn2-c4ccccc4)c1	142
+CC(C)(C)[Si](C)(C)OCC1CC(OC(=O)C)CCC1(C2CCC3(C)C(CCC3=C)C2CO)C	19
+FC(F)(F)CSCC(=O)NC1C2N(C(C(O)=O)=C(COC)CS2)C1=O	952
+C1(c2cc(OC)c(cc2)OC)CC(CCC1[N+](=O)[O-])OC(=O)C	152
+C1(C(CC)=CN(C(N1)=O)C2CC(OC(=O)C)C(O2)CN(C)C(Cc3ccccc3Br)=O)=O	152
+c1(c(Cl)cccc1)C2CCC2N	733
+CC(C)(C)OC(N(C)C1C(O)CCCC1)=O	23
+OC1C(O)CN(C1)C(=O)CNC(=O)c2[nH]c3ccc(Cl)cc3c2	731
+OC1C(O)CN(C1)c2cc(nc(Cl)n2)C(=O)OC	54
+C1CC(CCN1C(=O)OCc2ccccc2)CCCCC(NC3C(=O)Nc4ccccc4SC3)C(=O)OCC	6021
+CC(C)(C)OC(=O)NC(CC(=O)NC1Cc2ccccc2NC1=O)Cc3ccccc3F	6022
+O=S(=O)(c1ccccc1)NC2C(=O)Nc3c(C2)cccc3	1946
+CC(C)(C)OC(=O)NCc1c2C(N(C3C(=O)NC(CC3)=O)C(C)=Nc2ccc1)=O	6023
+N(C(N)=O)Cc1cccc2c1C(N(C3C(=O)NC(CC3)=O)C2=O)=O	3571
+O(C)c1ccccc1Nc2cccc3C(=O)N(C4C(=O)NC(CC4)=O)C(c23)=O	3571
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)Nc4ccc5OCOc5c4)=O)=O	6024
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)OCc4cc5c(OCO5)cc4)=O)=O	3572
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)OCc4cccc(F)c4)=O)=O	3572
+c1c(Br)cc2c(C(N(C3CCC(=O)NC3=O)C2)=O)c1	3573
+CC(C)(C)OC(=O)NC(C(NC1Cc2c(NC1=O)c(N)ccc2)=O)CC(C)C	207
+CC(C)(C)OC(NC1Cc2c(NC1=O)c(cc(c2)Br)[N+](=O)[O-])=O	1245
+C=1(N(C(=S)NC(C=1N)=O)c2cc(CC)ccc2)N	721
+N1C(C(Nc2c1cc(c(c2C#N)Cl)N)=O)=O	0
+C1(C(O)C(C(O1)n2ccc3c(ncnc23)N)(O)C#C)CO	869
+CC(C)(C)OC(=O)NC(C(C)C)C(OC1C(OC(C1(C#C)O)n2c3c(cc2)c(N)ncn3)CO)=O	27
+c1cc(ccc1OP(OCC2C(C(C(N3C=CC(NC3=O)=O)O2)(C)F)O)(=O)NC(C(OC(C)C)=O)C)-c4cccc(F)c4	6025
+OCC1C(O)C(O)C2N=C(SC2O1)NC	6026
+FC(F)(F)C(NCC#CC=1C(NC(=O)N(C2OC(C(OCC=C)C2)CO)C=1)=N)=O	6027
+C1CC(C(=O)O)CN2C1CCOC2=O	4
+CC(C)(C)Nc1[n+]([O-])cc2CCC3N(CC(C(=O)OC)CC3)C(=O)c2c1	6028
+C1CC(C(=O)O)CN2C(c3c(cnc(F)c3)CCC12)=O	4
+C1(C(OC)=O)CN2C(c3c(CCC2CC1)c[n+](cc3)[O-])=O	103
+C1(C(OC)=O)CN2C(c3c(cnc(F)c3)CCC2CC1)=O	3574
+C1(C(OCC)=O)CCc2c3cc(ccc3[nH]c12)C(NO)=N	181
+C1(C(OCC)=O)CCc2c3cc(C#N)ccc3[nH]c12	180
+FC(F)(F)Oc1cc(C#N)cc(-c2nc(no2)-c3ccc4[nH]c5c(CCC5C(=O)OCC)c4c3)c1	6029
+CC(C)(C)OC(=O)NCC1Oc2c(Cl)cc(cc2C1O)Br	37
+c1c(c(ccc1)OC)-c2c(-c3cc(Cl)c(cc3O)O)n[nH]c2	3575
+CCC1(NC(C)(CC)CC2(C1C)NC(=O)NC2=O)C	6030
+CC12CCC(C(OC(C)=O)C1CCC2=C)C3(C(CC(OC(=O)C)CC3)CC=O)C	24
+c1cc(ccc1C)S(=O)(=O)OCCC2C(C)(CCC(OC(=O)C)C2)C3C(OC(C)=O)C4CCC(=C)C4(C)CC3	36
+c1cc(cc2c1C(CBr)=C(c3cnc(OC)nc3OC)C(=O)O2)OC	6031
+O(c1c(c2OC(=O)C(=C(C)c2cc1)C)C)C(=O)C	225
+C1(CN(CCC1=O)C(OCC)=O)C	66
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(C3(C(C)C)CC(CC3)NC4C(COCC4)C)=O	87
+FC(F)(F)S(=O)(=O)OC1=CCC(C(OCC)=O)CC1C	6032
+c1ccccc1CNC2C(C)CC(C(OCC)=O)CC2	87
+C1(C)CCCC(C)N1C(Cl)=O	6033
+CC1CCCC(C)N1Cc2nc(nc(c2)C)SCCCCCC	315
+C1(CCCC(C)N1C(=O)NNc2ccc(F)cn2)C	2452
+C1C(C)N(CCC1)c2n3cc(ccc3nn2)OC4CCC(N)c5ccccc45	870
+C1(C)CN(CC(C)C1)c2c(cc(cc2)B3OCC(CO3)(C)C)N	734
+C1(C)CN(CC(C)C1)c2c(N)cc(Br)cc2	0
+C1(CN(CC(C)N1S(=O)(=O)c2cccc(C#N)c2)CC(Nc3cccc(c3C)OC)=O)C	92
+C1(CN(CC(C)N1S(=O)(=O)c2ccc(cc2)C#N)CC(=O)Nc3cccc(c3C)F)C	92
+O=S(=O)(Nc1cc(ccc1Cl)N2CC(C)NC(C)C2)c3ccc(cc3)Br	69
+C1(C)CN(CC(C)O1)Cc2cc3-c4n(C(Nc3nc2)=O)ncn4	6034
+FC(F)(F)Oc1ccc(cc1)CN2c3ncc(cc3-c4ncnn4C2=O)CN5CC(C)OC(C)C5	6035
+C1(C)CN(CC(C)O1)Cc2cc(C#N)c(NC(=O)OCC)nc2	278
+c1cc(ccc1N2CC(C)NC(C)C2)OCCCN3CCCCC3	560
+CC(C)(C)OC(=O)n1nc(cc1)CN2CC(C)NC(C2)C	596
+C1(C)CN(CC(C)N1)CC(=O)Nc2c(c(OC)ccc2)C	224
+C1(C)CN(CC(C)N1)CCOCCN2c3ccccc3N(S2(=O)=O)c4ccccc4F	28
+C1(C)CN(CC(C)N1)CC(=O)Nc2cccc(c2C)F	224
+C1(C)CN(CC(C)N1)c2cc(c(cc2)Cl)N	560
+C1C(C)NC(CN1c2cc([N+]([O-])=O)c(OC)cc2)C	79
+CC1CN(CC(C)N1)c2ccc(cc2)C(=O)OCC	34
+C1CCN(C1)c2c3CC(N4c3c(c(c2F)N)C(C(C(O)=O)=C4)=O)C	34
+c1ccccc1C(Nc2ccc3C(CC(=O)c3c2)C)=O	3576
+CN(C)CCOC1C2(C(CC1)C3C(c4ccc(OC)cc4CC3)CC2)CC	649
+C1(C2(C)C(CC1)C3C(C4(C)C(=CC3=NO)CC(CC4)OC(=O)C)CC2)OC(C)=O	6036
+C1(C2(C)C(CC1)C3C(C4(C)CCC(CC4=CC3=NOCCCn5cncc5)OC(=O)C)CC2)OC(C)=O	871
+O=C1C=2CCCCC=2C(=O)N1c3cc(ccc3F)OC(C)C	313
+C12C(C(=O)C(C1=O)c3c(CC)sc(-c4ccc(cc4)Cl)c3)C5CCC2O5	460
+C1CC1c2nsc(n2)-c3c4CCCCc4sc3NC(=O)C5=C(C(O)=O)CCC5	3577
+Cc1noc(-c2c(sc3CCCc23)NC(=O)C=4CCCC=4C(=O)O)n1	3577
+CCCc1ccnc(C#N)c1	1303
+O(Cc1nc(ccc1)C#N)C2CCOC2	1304
+c1(N2CC(COc3ccon3)OC2=O)ccc(I)c(F)c1	6037
+C1CN(CCN1C)C2(CCC=COC2)CNCC3=Cc4c(cccc4)N(C)C3=O	6038
+C1CC(Nc2cccc(OCCOC(CC(=O)C)=O)c12)=O	1305
+C1CC1C(=O)N2CCC(C2)CNC(=O)CC(=O)C	3578
+C1CCCCC1N2CCN(CC2)C(=O)CC(C)=O	3579
+CC(C)(C)OC(C(C)(C)Sc1nc(CCN(CCCCCCC)C(CC(C)=O)=O)cs1)=O	3579
+C[Si](C)(C)CCOC(=O)CC(C)=O	1305
+c1cc(ccc1)CN(CC(C)(C)COC(CC(C)=O)=O)C	1305
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOC(CC(C)=O)=O	1305
+c1ccccc1C2(CCN(CC2)CCCOC(=O)CC(C)=O)c3ccccc3	1305
+c1ccccc1C2(CCN(CC2)CCNC(=O)CC(C)=O)c3ccccc3	3578
+c1ccccc1C2(CCN(CC2)CCOCCOC(=O)CC(C)=O)c3ccccc3	1305
+c1ccccc1COc2cc(ccc2)NC(=O)CC(=O)C	6039
+c1nn(c2c1C(CCO)CCC2)-c3cc(c(cc3)Cl)Cl	44
+n1cccnc1NCCCOc2cc3c(cc2)CC(c4c(C3)cccc4)CC(OCC)=O	6040
+C1(CC(OC(C)=O)=C(C(C1)=O)C(=O)C)C2CSCCC2	6041
+C1(C(CCCc2sc(C(=O)OC)cc2)C(C=CC(O)CCCC(O)C)C(O)C1)Cl	168
+CC(C)(C)[Si](C)(C)OC(CCCC(C=CC1C(CC(Cl)C1CCCc2ccc(C(OC)=O)s2)OC3CCCCO3)=O)C	1278
+CC1(C)CC(c2c(nn(-c3ccc4c(c(Br)cnc4N)c3)c2C1)C)=O	6042
+c1n(c2c(c(ncn2)Cl)n1)C3CC(C=C3)CO	6043
+NC=1CC(c2cc(C)ccc2F)CC(=O)C=1	3580
+C1(CC(CC(=O)C1=CN(C)C)c2ccc(cc2)Cl)=O	2509
+c1cc(ccc1Cl)C2Cc3c(C(C2)=O)cnc(N)n3	6044
+FC(F)(F)C(C)OCc1cc(Cl)cc(c1)-c2cc(nn2-c3ccc(cc3)F)NC(C4CC(NC4)=O)=O	142
+FC(F)(F)COCc1cccc(c1)-c2cc(NC(C3CC(NC3)=O)=O)nn2-c4ccc(cc4)F	142
+C(ON=C(C=1C(CC(CC=1OC(C)=O)C2CSCCC2)=O)C)c3sc(cc3)Cl	6045
+c1cc(ccc1COC(NCCCOc2ccc3c(CN(C)C(C(C3)CC(OC)=O)=O)c2)=O)[N+]([O-])=O	126
+C1(CC(OC)=O)C(=O)N(Cc2c(ccc(c2)O)C1)C	5
+C1(CC)Oc2c(OC1)ccc(C(=O)O)c2	872
+CC(C)(C)OC(CN1C(=O)C(C(c2ccccc2)Sc3ccccc13)NC(=O)c4[nH]c5c(cccc5)c4)=O	6046
+c1c(-c2ccc(C#N)c(F)c2)nc(nc1N3CC(CCC3C)C(NCc4ccccc4F)=O)N	9
+C1(CCC(N1C(CCl)=O)C(=O)N)C#C	83
+C1(C(=O)O)Cc2c3cc(OC)ccc3[nH]c2C1	518
+C1CCCC1NCC(N2C(C#C)CCC2C#N)=O	402
+C1CCCCC1NCC(N2C(C#C)CCC2C#N)=O	402
+CC(C)(NCC(=O)N1C(C#C)CCC1C#N)CNc2ncc(C#N)cc2	402
+C1(CCC(N1C(CCl)=O)C#N)C#C	143
+CC(C)(C)OC(N1CC(CO)CCC1C)=O	23
+n1ccnn1-c2c(C(=O)N3C(CCC(C3)CO)C)cccc2	30
+C1(c2c(cccc2)C(CC1)N3C(Nc4c3nc(nc4)-n5cnc6c5cc(F)cc6)=O)=O	3341
+C1(CCC(Nc2nc(ncc2[N+]([O-])=O)-n3cnc4c3cc(F)cc4)c5c1cccc5)=O	6047
+C1(CCC(Nc2nc(-n3cnc4c3cc(F)cc4)ncc2N)c5c1cccc5)=O	193
+c1cc(N2C(c3cc(F)cnc3)CCC2CO)nc4c(cnn14)C(=O)OCC	790
+CC(C)(C)C(=O)c1c2c(cc(OC)cc2)n(CC(=O)N3C(CCC3CCC)CCC)n1	10
+c1c(F)c(c(cc1N2CCOCC2)F)NC(CC3CCC=C3)=O	33
+c1c2CCCCC(Nc2ccc1)=O	6048
+c1(ccc(OCOC)cc1OCOC)C2CCCC(C(=O)O)C2	6049
+NC1CCCCC1c2cc(c(O)cc2)OC	157
+c1cc(ccc1CNC2C(C(=O)OC)CCCCCC2)F	42
+C1(CCCCCCC1C(OC)=O)N	167
+CC(C)C(C(N(C(C(C)C)CC(c1nc(cs1)C(OC)=O)O)CCC)=O)NC(=O)C2N(CCCC2)C	207
+FC(F)(F)c1cc(ccc1OCCCN(C(C2N(C)CCCC2)=O)C)-c3nc(C#N)c4ncn(C)c4c3	10
+CC1(C)OB(OC1(C)C)c2cn(CCC3CCCCN3C)nc2	338
+Cc1cc(cc(C)c1)-c2c(O)nc3c(cc([N+]([O-])=O)c(Cl)c3)c2OCCC4CCCCN4C	72
+c1cc(ccc1)COC(=O)N2CC(CO)CCCC2	66
+c1cc(ccc1C2(CCC2)C(N3CC(CO)CCCC3)=O)Cl	10
+C(C)OC(=O)N1CCC(CCC1)N=C=S	985
+C1COc2cc(N)ccc2N1CCC3CCCN3C	15
+C1(CCCN1C)CCN2c3ccc(N)cc3OCC2=O	0
+C1(COc2c(cccc2)O1)CN3CC(CCC3)C(=O)N	28
+c1cc(ccc1)COC(=O)N2CCCC(C(N)=O)C2	66
+Clc1ccc(c(Cl)c1)CCNc2cc(N3CC(C(=O)O)CCC3)nc(n2)OC	54
+C(C1CN(CCC1)c2cc(Cl)nc(N)n2)(=O)O	54
+c1cc(ccc1)COC(=O)N2CCCC(C(O)=O)C2	66
+c1cc(ccc1)CN2CCCC(C2)C(O)=O	48
+c1nc2c(nc(N3CCCC(C(OC)=O)C3)nc2s1)Nc4ccc(OC)c(c4)OC	117
+c12c(OC(CO1)CN3CC(Cc4c[nH]c5cc(F)ccc45)CCC3)c6c(nc(cc6)C)cc2	2510
+Clc1cc(N2CC(F)CCC2)c(cc1)[N+]([O-])=O	34
+O=S(=O)(c1c(ccc(C(=O)OC)c1)Br)N2CCCC(O)CC2	92
+c12c(cccc1)C(=O)N(C2=O)CCCCNC3CCCc4cccnc34	110
+O=S(=O)(Nc1ccc(cc1)CNC2c3ncccc3CCC2)c4ccccn4	42
+C1COCCN1CCn2c3c(cccc3)nc2CN(C)C4CCCc5cccnc45	3581
+c1cc(ccn1)Cn2c3c(nc2CN(C)C4c5ncccc5CCC4)cccc3	1947
+CCC1CNCCC1N	215
+c1c(C)cc(cc1CC(=O)N2C(CC2)(C)C(=O)OCC)C	478
+c1cc(ccc1)C(c2ccccc2)CN3CC(O)(CC3)C	123
+C1C2CCC(CC1O)N2c3nc(nc4scc(-c5ccccc5)c34)N6CC(CC6)C(=O)N	117
+C1CN(CCC1CN(C2CN(CC2)C)C)c3nc(N4CC(C(N)=O)CC4)nc5scc(c35)-c6ccccc6	117
+C1CC(CCN1c2ccc([N+](=O)[O-])c(OC)c2)N3CCC(F)C3	85
+c1cc(ccc1-n2ncc3CC4(CN(CCC4=Cc23)S(=O)(=O)c5ccc(cc5)N6CCC(F)C6)COCC7CC7)F	79
+Clc1c2c(nccc2)c(c(C(=O)C)c1)N3CC(CC3)F	1563
+c1cc(ccc1I)S(=O)(=O)N2CCC(F)C2	92
+c1(C)cc(Cl)nc(N2CC(CC2)F)c1[N+](=O)[O-]	43
+N1(C(=O)NC2CC(CC(C2)Nc3nc(ncc3F)Cl)C)CC(CC1)F	1132
+C1CNCCN1CCC2OCCc3ccccc23	1306
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4c(cc(cc4)NC(=O)C5CCOC5)C#N	1294
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2cccc(-c3nc(C4CCOC4)sc3-c5nc(ncc5)Cl)c2F	873
+C1(CCOC1)Oc2cccc(c2C(NO)=O)O	1133
+CC(C)(C)OC(=O)N1CCC(CC1)COc2c3c(OC4CCOC4)cccc3on2	6050
+c1(cc(Oc2cc3c(cc2)C(N(CO3)C)=O)cc(c1)OC4CCOC4)C(=O)Nc5ncc(C)nc5	46
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(cc(OC4CCOC4)c3)C(=O)OC	706
+C1(CCOC1)Oc2c3C(NOc3ccc2)=O	3582
+CC(C)(C)OC(NC1CCOc2cc(ccc12)C#N)=O	37
+C1CC(CCN1CCC2c3ccccc3OCC2)NC(C)=O	61
+C(CO)N(C)CCCN1c2ccc([N+]([O-])=O)cc2CCC1	15
+C1Cc2c(c3c(OCC3)nc2)C1=O	155
+c1cc(cc2C(O)CCc12)-c3cc(ccc3)F	74
+C(C1c2c(CC1)cc(cc2)F)#N	3583
+C(C)OC(N1CCc2c(ccc3CCC(OC)c23)CC1)=O	76
+c1c2CCC(Oc2c3ccccc3c1)C(=O)OCC	27
+c1cc([N+]([O-])=O)cc2C(C(CC(=O)O)CCc12)=O	77
+C1N(C(=O)Cc2cccs2)CCCC1C(=O)O	3
+CC1CNCC(C)C1NC	215
+C1C(C)OC(CN1CC(=O)NN)C	561
+c1ccccc1C(c2cc(c(N3CC(C)OC(C3)C)c(c2F)F)C=O)=O	39
+c1cc(ccc1)[Si](c2ccccc2)(OCc3c(N4CC(C)OC(C4)C)c(F)c(cc3)F)C(C)(C)C	328
+C1(CN(CC(C)O1)c2ccc(C(=O)O)c(C)c2)C	1
+C1(C)CN(CC(C)O1)c2cc(c(C(=O)Nc3cnc(Cl)c(-c4nc5ccccc5[nH]4)c3)cc2)C	487
+C1C(C)OC(CN1c2cnc(cc2)N)C	161
+O=C(C1CCCN(c2nc3c(n2Cc4c(F)cccc4Cl)C(N(C(=O)N3C)C)=O)C1)O	3
+C1CN(C(=O)OCC)CC(C)C1NCC	87
+CCOC(=O)N1CC(C)C(CC1)N	316
+C1CC1c2cccc(-c3nc4c(nc(N5CCCC(C(OCC)=O)C5)cc4)[nH]3)n2	3584
+C1(CN(c2nc(c(N)cc2)N)CCC1)C(OCC)=O	13
+CC(C)(C)OC(=O)N1CC(CO)NCC1C	6051
+C1(CN(CC(C)N1S(=O)(=O)c2cccc(c2)C#N)CC(=O)Nc3c(ccc(c3)C#N)C)C	224
+O=S(=O)(C)OCC1CNc2ccccc12	7
+c1cc(ccc1S(=O)(=O)OCC2(c3c4N(C(C=Cc4ncc3Cl)=O)C2)O)C	36
+c1ccccc1CN(CC(O)c2cccc(c2)[N+]([O-])=O)CCOCc3ccccc3	170
+C1CN(CCN1c2c3c(nc(cc3)C)ccc2)CCc4ccc5OCC(N(C)c5c4F)=O	53
+C1(COc2c(cccc2)O1)CN3CC(CCC3)CN	15
+FC(F)(F)c1c(Cn2nc(-c3ccc(cc3)F)c4c2ccc(C=C5SC(=O)N(CC(O)=O)C5=O)c4)ccc(Cl)c1	377
+Nc1cc(F)c2N(C(Cc2c1)=O)CCF	0
+C(=O)(N(C1Cc2cc([N+]([O-])=O)ccc2OC1)CCC)CC	1564
+C1(Cc2c(N1CCF)c(F)cc([N+]([O-])=O)c2)=O	31
+c1cc2NC(Cc2cc1Br)=O	38
+C1c2c(cccc2)N(C(=O)C)C1=O	1948
+c1c2NC(Cc2cc(C(CCC)=O)c1)=O	94
+c1c2NC(Cc2cc(c1)C(=O)C)=O	94
+c12ccccc1NC(C2=Cc3[nH]cc(C)c3C)=O	292
+O=S(=O)(Cl)c1cc2c(NC(=O)C2)cc1	240
+c12ccccc1NC(=O)C2=Cc3cc4c([nH]nn4)cc3	1495
+C(Nc1ccc2c(c1)COC2=C3C(Nc4ccccc34)=O)CCl	3585
+c1c2CC(Nc2ccc1C(c3cc(ccc3)[N+]([O-])=O)=O)=O	222
+c1cc(ccc1[N+](=O)[O-])C(c2cc3CC(Nc3cc2)=O)=O	222
+CN(C)C(=O)c1cc(c2nc(n(c2c1)C)C)OC3CCOc4c3ccc(F)c4	6052
+C1(N(C(=O)C(N)=CN1COC)CC(OCC)=O)=O	6053
+c1ccccc1CS(=O)(=O)NC2=CN(C(=O)N(C2=O)CC(=O)OCC)COC	6054
+O(C(=O)CCCCCCN1C(=O)CCCC1C=CC(O)CCCCC)C	1565
+N1(C2(CC(C)(N(C(CC)(C2C)C)C)CC)C(N(C)C1=O)=O)C	1949
+C1(N(C(=O)NC12C(C(CC)(N(C(C)(C2)CC)C)C)C)C)=O	113
+[nH]1c(nc2c1N(C(N(C2=O)CC)=O)CCCC)Cl	1950
+CN(C)C1CCN(C(=O)CN2C(=O)c3c(cccc3)N(CC(Nc4cc(c(cc4OC)OC)Cl)=O)C2=O)C1	10
+C1(N(C(N(c2c1nc(Cl)[nH]2)CCCCC)=O)CCCCC(=N)NO)=O	409
+c1cc(ccc1)-c2onc(n2)CCCCN3C(N(c4c([nH]c(Cl)n4)C3=O)CCCCC)=O	6055
+c1cnccc1-c2nnc(N3CCOCC3c4cc(on4)-c5cccc(Cl)c5)n2C	2511
+CC(C)(C)[Si](C)(C)OCC(N1C(c2c(c(ccc2)[N+]([O-])=O)C=C1)=O)C(=O)OC	19
+C1C(COC)N(C(=O)C2N(C(=O)CN3CCCC3=O)CCC2)CC1	21
+FC(F)(F)S(=O)(=O)Oc1cc(-c2cnccn2)nn1CC	6056
+C1(N(CCC1(O)C#Cc2cccc(-n3nc(C(=O)N)c4cc(C#N)ccc34)c2)C)=O	1134
+C1(N(CCC1(O)C#Cc2ccnc(-n3c4cccc(F)c4c(n3)C(=O)N)c2)C)=O	1134
+C12(c3c(cc(Br)cc3)OC1)C(N(CCCCC)c4ccccc24)=O	20
+C1(N(CCCCC(CO)O)C(C(=CN1C)C)=O)=O	1951
+CC(C)(C)C(OCC1CCN(CC1)CCCN2c3c(cc(c(F)c3)F)CCC2=O)=O	53
+c1cc(ccc1)C(CC)NC(=O)c2c3ccccc3nc(-c4ccccc4)c2OCCN5C(=O)c6ccccc6CC5	2430
+C1(N(CCc2c1cccc2)CCCl)=O	1307
+O=C1OCc2cc(CCN3CCN(CCc4ccc5nonc5c4)C(=O)C3)ccc12	1508
+c1cc(ccc1CCNC=2N(CCCC)C(=O)N(C(C=2)=O)Cc3c(F)cccc3)[N+]([O-])=O	6057
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O	2428
+C1(N(Cc2c(F)cccc2)C(C(N)=C(N)N1)=O)=O	721
+C1(N(c2c(Cl)cccc2)N=C(C1)C(=O)Cl)c3ccc(Br)c(F)c3	3586
+C1(N(N=C(C1)C(=O)O)c2c(Cl)cccc2)c3ccc(Br)c(F)c3	4
+C1(N(c2c(c(ccc2)C(=O)O)OC1)C)=O	1
+CC(C(c1cc2N(C(COc2cc1)=O)C)=O)c3cc(OC)ccc3Cl	1566
+CC(c1ccc(OC)cc1Cl)C(c2cc3N(C(COc3cc2)=O)C)=O	1566
+c1c(Nc2c3nccn3nc(-c4cc(CO)ccc4)c2)nc(cc1)N5CCCC5C	519
+C1(N(c2cccc(Nc3c4nccn4nc(-c5cncc(OC)c5)c3)n2)CCC1)C	2512
+C1(N(c2cccc(N)c2)C(CC1(CC)C)=O)=O	0
+c1(cc(N2C(CC(C)C2)C(NCC#N)=O)ccc1)Br	9
+C(c1ccc(C)c(C=2C(N(c3nc(SC)ncc3C=2)C)=O)c1)(=O)O	1
+c1cc(ccc1NC(NC=2C(N(c3cc(C)c(C)cc3C=2c4c(Cl)cccc4)C)=O)=O)Cl	6058
+c1cc(ccc1F)CNC2C3CC(C2C(OCC)=O)CC3	42
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(C3=O)CC(=O)OC	712
+C1(N2CCCC2c3n(-c4ccccc14)cnc3C#N)=O	6059
+C1(N2C(CCC2)c3n(-c4ccccc14)cnc3C=NO)=O	2513
+O=S(=O)(C)Nc1ccc2c(c1)C3=NC=C(C(OCC)=O)C(=O)N3C=C2C	80
+C1(N2C=C(c3ccc(N)cc3C2=NC=C1C(=O)OCC)C)=O	0
+C1(N2CCCC2c3n(cnc3CO)-c4ccccc14)=O	874
+C1(N2C(CCC2)c3n(-c4ccccc14)cnc3C=O)=O	614
+c1(F)c(Br)cc2N3C(c4c(cc(cc4)F)Oc2c1)C(NC(OC)=O)CCC3	15
+c1cc(ccc1)CNCCN2c3c(cc(C)c(Cl)c3)N=C4C(N=C(N=C24)O)=O	110
+c12c(ccc(c1)C=C3SC(=NC3=O)NCc4c(C)cccc4Cl)nc(NC)nc2OCC	3587
+C[Si](C)(C)CCOCN1C(C(C)=C(N(C1=O)C)Br)=O	6060
+FC(F)(F)c1cc(Oc2ccc(cc2)CSc3nc(c(cn3)C(=O)OCC)O)ccc1Cl	6061
+O(c1c(O)ncnc1)C	6062
+c1(cccc(C2(C)COCC(N2)=S)c1)Br	199
+C1(=O)NC(NC(=O)C12Cc3c(c(c(F)c(COC(=O)C)c3)F)N4C2C(OC(C)C4)C)=O	3588
+C1(=O)NC(NC(=O)C12Cc3c(N4C2C(C)OC(C)C4)c(F)c5c(c(no5)C(=O)OCC)c3)=O	3588
+C1(NC(NC(=O)C1=Cc2ccc(cc2)C=Cc3nc(N)nc(N)n3)=O)=O	6063
+C1C(Cc2cc(OC)ccc2C1)N(C)CCC#N	987
+C[Si](C)(C)C#CC1=CNC(NC1=O)=O	3589
+C1(=CN(C)C(NC1=O)=O)[N+]([O-])=O	6064
+FC(F)(F)c1cc(Oc2ccc(cc2)CCSc3ncc(c(O)n3)Cc4cn(C)nc4)ccc1Cl	6065
+O(C)C(OC)CCN1C(=O)NC(=O)C(=C1)c2c(F)nc(C)cc2	6066
+CN(C)C=CC(c1c2CCN3C(c2ccc1)=CC(=O)NCC3=O)=O	2409
+CC(C)(C)OC(=O)N1CC2C(C1CO)CC(C)C2	23
+n1c2cccc(C(=O)N)c2[nH]c1-c3sc(C4N(C)CCC4)cc3	113
+CC(C)(C)[Si](C)(C)OC1C(=O)NCC1	1952
+c1ccccc1[Si](c2ccccc2)(OCC3C(=O)NCCC3)C(C)(C)C	328
+c12c(C(NCC1)=O)c(c(cc2Cl)Br)Cl	38
+c1c(cc(I)c(C)c1)C2C=3C(CCC=3NC4=C2C(NN4C)=O)=O	6067
+C1(=O)C=CC(=O)N1CCCCN2C(NNC2=O)=O	6068
+C1(NNC(=O)N1CCCCN)=O	102
+CC(C)(C)OC(=O)NC(COc1cc(on1)C(OC)=O)C	6069
+CC(C)(C)OC(=O)C=Cc1cc2CC(C(OC)=O)C(=O)Nc2nc1	1953
+Clc1cc2NC(C(=O)Nc2cc1N=[N+]=[N-])=O	615
+Cc1cc2OCCNc2cc1Br	15
+c1c(cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2c1)CC(OCC)=O)Br	610
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(OCC)=O	610
+CC(C)(C)[Si](C)(C)OCC(CN1c2c(OCC1=O)ccc(c2)C)C	988
+C1CN(CCN1CCOc2cc3c(cc2)OCC(N3)=O)c4c5c(nc(cc5)C)ccc4	28
+C1(Nc2cc(-c3cc(nn3C)C)ccc2OC1)=O	2514
+Cc1nn(C)c(-c2cc3NC(=O)COc3cc2)c1Br	875
+C1(Nc2cc(CO)cnc2N3CCCC13)=O	382
+C1(Nc2cc(C(=O)O)cnc2N3CCCC13)=O	1
+C1CN(CCN1c2ncc(cc2)C(OCC)=O)Cc3cc4NC(=O)C5CCCN5c4nc3	1954
+C1(C(Nc2c3[nH]cnc3c(Cl)cc2N1)=O)=O	6070
+C(c1ccc2c(NC(=O)CO2)c1)C(=O)O	4
+C(C)N(CC)CCNC(=O)c1c([nH]c(C)c1)C=C2C(Nc3cccc(-c4c(cccc4)F)c23)=O	292
+C1(Nc2cccc(c2OC1)C(=O)O)=O	1
+C1(N(c2c(c(C(=O)OC)ccc2)OC1)C)=O	239
+C1(Nc2cccc(c2OC1)C(CCl)=O)=O	6071
+Cc1nc(C(N2CC3C(C2CNC(c4cccc5NC(COc45)=O)=O)C3)=O)c(s1)-c6cccc(c6)C	14
+c1nc(c2n1-c3c(c(C(C)C=C)ccc3)OC2)C(=O)OCC	2515
+[N-]=[N+]=NCC(c1cccc2NC(=O)COc12)=O	6072
+c1nc(c2n1-c3c(c(ccc3)CC=C)OC2)C(=O)OCC	2515
+C1CN(CCC1NC=2c3cc(ccc3N(C)C(=O)C=2)OC)C(OCC)=O	6073
+c1cccc2[nH]cc(CNC(C3N(C(=O)C(C)N4Cc5ccccc5C4=O)CC(O)C3)=O)c12	9
+C1(C2(C(CC1)C3C(c4c(cc(OC)cc4)CC3)CC2)CC)O	6074
+C1(O)CC(C(O)=O)N(C(=O)C(C)N2Cc3ccccc3C2=O)C1	4
+O=S(=O)(OCC1C(O)c2cc(cc(Cl)c2O1)Br)C	7
+CC(C)(C)OC(=O)Nc1cc(cc([N+](=O)[O-])c1)N2C(C=C(C)C2=O)=O	6075
+c1ccn(c1)-c2c(ccc(c2)Cl)CC	1567
+FC(F)(F)c1c(c2c3c(c1)NC(=O)C(N3C(P(OCC)(OCC)=O)CC2)=O)-n4cccc4	1567
+c1ccn(c1)-c2c(F)ccc([N+]([O-])=O)c2	6076
+c1ccn(c1)-c2c(ccc([N+]([O-])=O)c2)O	1567
+c1cccn1-c2cc([N+](=O)[O-])c(N)cc2Cl	1567
+c1cccn1-c2cc([N+]([O-])=O)cc(c2)[N+]([O-])=O	1567
+C1C(C(CN(c2oc(c(C)n2)C(=O)OCC)C1)OC)NC(c3nc(Cl)c(CC)[nH]3)=O	855
+C1(OC2CC(CC(C(NC(NC)=O)=O)c3ccc(c(c3)Cl)Cl)CC2)CCCCO1	3590
+C=1C=C(C=2N(C(C(=C(C)N=2)CCCl)=O)C=1)C	6077
+C(CCCCCCCCCO)COCc1occc1	168
+C1CC(CCC1CCC)C#Cc2c(c(c(F)c3OC(CCc23)CCCCC)F)O	121
+C1(Oc2c(c(I)c(O)c(F)c2F)CC1)CCCCC	241
+C(Br)c1cccc2OC(CC)(Oc12)C	29
+FC(F)(F)c1cc(C(c2c(scc2)N)=O)ccc1	3591
+c1cc(ccc1)C(=O)c2ccsc2N	3591
+C1(CCCCC1c2cc(c(O)cc2)OC)[N+](=O)[O-]	460
+C1CCc2cccnc2C(OC(C)=O)C1	174
+c1c2c(ccc1)C(=O)N(C2=O)C(C3=C(c4ccccn4)C(N5C(=CC=CC5=N3)C)=O)C	6078
+c12c(cc(c(-c3nnc(C)s3)n1)C(C)N)cccc2Cl	45
+Clc1cc2c(cc1)Oc3ccccc3CN2C(CN)=O	1955
+c1ccccc1COc2cc(-c3cn(c4c3c(N)ncn4)C5CC(C5)CN)ccc2	45
+C1(c2c(C(=O)N1CCCC#Cc3c(N4CCCC4)nc(Cl)nc3)cccc2)=O	2516
+c1ccc2C(=O)N(C(=O)c2c1)CCCC#Cc3c(nc(nc3)Nc4ccc(cc4)C#N)NCCC	2516
+c1cc(ccc1Nc2ncc(C#CCCCN3C(=O)c4ccccc4C3=O)c(n2)N5CCCC5)C#N	55
+c1cc(ccc1)C(C)(CCCCCN)CO	45
+C12C(C3(CCC(CC3CC1O)OCCN)C)CC(O)C4(C)C2CCC4C(C)CCC(OC)=O	45
+O=S(=O)(NC(C)C)CCN	45
+C1(c2c(C(=O)N1CCc3cc(C(=O)O)nn3C)cccc2)=O	6
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2c3c(cccc3)c(cc2)CN4C(c5c(C4=O)cccc5)=O	2517
+c1cc(c(N=[N+]=[N-])cc1)N	2505
+C(OC(C)=O)C(N1C(c2c(C=C1)c(c(C)cc2)[N+]([O-])=O)=O)C	152
+C1CC(c2c1c(N)c(N)cc2)=O	562
+CC(C)(C)OC(C(C1CCCC1)c2ccc(cc2)CN3Cc4c(cc(F)c(F)c4)C3=O)=O	6079
+C1(c2c(Oc3ncccc13)ccc(c2)C=NO)=O	135
+C1(c2c(Oc3ncccc13)ccc(C#N)c2)=O	1308
+CC(C)NCC(O)c1scc(C)c1C	122
+c12C3N(C(c4c(cccc4)-n1cnc2)=O)CC3	6080
+C(N1Cc2c(cccc2)C(OC)C1)CN	15
+N1C(C)(C(COCC1=N)F)c2c(F)ccc([N+]([O-])=O)c2	3592
+C1(c2cc(ccc2Oc3ncccc13)CBr)=O	29
+c1cc(ccc1-c2c(C#N)cccc2)CN3c4c(cc(CC)s4)C(=O)N(Cc5ccc(OC)cc5OC)C3=O	3593
+C1(c2cc(F)ccc2)=CN(C(=O)C=C1)CCOc3c4ccc(cc4ncc3)OC	260
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(C=4CC(c5cc(I)ccc5)ON=4)n3)n1)C	6081
+c1(cc(C2CC(OC(=O)C)CCC2N)ccc1OC)OC	157
+CC(C)(C)OC(=O)N1CCN(CC1)CC(O)c2ccc3C=Cc4c(cc(Cl)cn4)C(c3c2)=O	170
+C1(c2cc(ccc2C=Cc3ncc(Cl)cc13)C4CO4)=O	3594
+C1(c2cc(ccc2Oc3ncccc13)CC#N)=O	163
+C1(c2c(Oc3ncccc13)ccc(C=O)c2)=O	1483
+C1(c2cc(CC(=O)O)ccc2Oc3ncccc13)=O	508
+C1(c2cc3[nH]c(-c4c(nccc4Cl)O)nc3cc2C(N1C)=O)=O	104
+[nH]1c2cc3C(N(C)C(=O)c3cc2nc1-c4c(ccnc4O)NC(Cc5cc(ccc5F)F)C)=O	105
+n1cc(cnc1N2CCc3c4ccccc4[nH]c3C2c5ccc6c(OCO6)c5)Br	117
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(ccc3c2OCC3=O)O	1092
+C(Br)c1cccc2C(=O)COc12	29
+c1cccc2C(=O)N(C(=O)c12)C3CCC(CC3)O	1889
+c1cccc2C(=O)N(C(=O)c12)C(CC(C)=C)C(F)F	1889
+c12c(cccc1)C(=O)N(C2=O)C(CCCC)c3cc(OC)c(OC)cc3	1889
+c1ccc2C(=O)N(C(c2c1)=O)C3COC4C(COC34)N	18
+c1ccc2C(=O)N(C(=O)c2c1)CCC(CC(C(OCC)=O)=O)=O	1135
+c1cc(ccc1)COc2c(nccc2)Nc3nc(CCN4C(c5c(C4=O)cccc5)=O)cs3	1102
+c1c(OCCCN)c(Cl)cc(C2=NNC(CC2)=O)c1	45
+C(Oc1cc2ccc(O)nc2cc1)CCN	45
+c1cc(cc([N+]([O-])=O)c1OCCCN)F	45
+c1cc(ccc1N)OCCCN2C(c3ccccc3C2=O)=O	106
+c1cc(ccc1NS(=O)(=O)C)OCCCN	45
+c1cc(N2C(CCC2)c3nc(ccc3)OCCCN)nc4c(cnn14)C(=O)OCC	45
+C(Oc1cccc(CO)c1)CCN	45
+C1(c2ccccc2C(=O)N1CCc3ccc(cc3)CCOS(=O)(=O)C)=O	7
+CC(C)(Cn1c(CON)nc2c1c3c(nc2N)cccc3)O	670
+c1cccc2C(c3c(C=Cc12)ccc[n+]3[O-])=O	103
+c1(nc(-c2nc(C#N)ccc2)cs1)-c3ccc(c(OCC)c3)OCC	6082
+c1cccc2c1cc3C(N(C(N)=O)O)CCn23	3595
+c1cc(ccn1)NC(=O)c2[nH]nc(Nc3c4c(cco4)nc(N5C(CCC5)c6ccccn6)n3)c2	549
+COc1cccc(NC(c2cc(Nc3c4occc4nc(N5C(CCC5)c6ncccc6)n3)n[nH]2)=O)c1	549
+C1(CCCc2cccnc12)N(C)Cc3nc4c([nH]3)cccc4	113
+C1(N(C(SC)=NC)CCOC1)c2noc(-c3cc(Cl)ccc3)c2	1956
+C12(C(CCC1C3CCc4cc(ccc4C3C(OC)C2)OC5OCCCC5)=O)C	1136
+FC(F)=C1C2(C)C(CC1)C3C(c4c(CC3)cc(cc4)OC5OCCCC5)C(OC)C2	6083
+c12c(cccc1)C3(N=C=O)C(CCCC3)CO2	6084
+C12CC=CC1(CCC3C4(C)C(CCC23)=CC(=O)CC4)C	6085
+C1CC1(c2ccnc3c2cccc3)C(=O)N4CCC5(OC(=O)c6c5ccnc6F)C4	731
+C12(c3c(OC1)cc(-c4cnccc4)cc3)C(N(CCCCC)c5ccccc25)=O	305
+c1ccccc1CNC(=O)C2=C3C(=CN(CCCC)C2=O)CCCC3	6086
+c12c(cc(c([N+]([O-])=O)c1)C)OC(C3=C2CCNC3)=O	31
+c1cc(ccc1CN2CCC3=C(C2)C(Oc4cc(ccc34)OC)=O)OC	3596
+c1cc(ccn1)CN2CC3=C(CC2)c4c(cc(cc4)OC)OC3=O	3596
+c1cc(N)c(cc1)CSc2[nH]c3c(n2)CCCC3	6087
+c12c(ncnc1CCC2)O	3597
+CC(C)(C)OC(NC1CCN(c2c(F)cc(N3C(=O)OC(Cn4ccnn4)C3)cc2)C1)=O	6088
+c1ccccc1CN2CC3N(C(C2=O)CC3)C	3598
+C1C2C(CC3C1O3)C(=O)N(C2=O)CCCN4CCN(CC4)c5cc(F)ccc5OC6CCCC6	53
+C1CC(C(O)=O)C2(CC(O)C3C4(CCC(CC4CCC3C12)=O)C)C	6089
+CC(C)(C)OC(=O)N1CC(NC(=O)NC2C3C(OC2)C(CO3)Oc4c(nccc4)C)CCC1	1957
+C12C(C3(CCC(CC3CC1O)OCCNC(c4cc(ccc4)Br)=O)C)CC(O)C5(C)C2CCC5C(C)CCC(OC)=O	14
+c1cc(ccc1O)CC(NCCOC2CCC3(C(CC(O)C4C5CCC(C5(C)C(CC34)O)C(CCC(OC)=O)C)C2)C)=O	9
+C12C(C3(CCC(CC3CC1O)OCCNC(c4cc(ccc4)Br)=O)C)CC(O)C5(C)C2CCC5C(C)CCC(=O)O	4
+O=S(=O)(c1ccc(cc1)C)OCCOC2CC3CC(O)C4C5CCC(C5(C)C(CC4C3(CC2)C)O)C(CCC(OC)=O)C	36
+C1(c2c(C(=O)N1CCOC3CC4CC(O)C5C6CCC(C6(C)C(CC5C4(CC3)C)O)C(CCC(OC)=O)C)cccc2)=O	332
+C12C(CC(C1)COc3cc4c(c(ccn4)Oc5c(cc(cc5)[N+]([O-])=O)F)cc3OC)CN(C2)C(OCc6ccccc6)=O	262
+C1C2CNCC2CC1COc3cc4c(c(ccn4)Oc5c(cc(cc5)[N+]([O-])=O)F)cc3OC	62
+CC(C)(C)OC(=O)N(CC(N1C(C#N)CCC1)=O)C2CC3C(C2)CC(C3)OC(NC(C)C)=O	1568
+C12C(CCC1)c3cc(Cl)c(cc3NC2=O)CCO	59
+Clc1cccc(CNCCc2cc3NC(C4C(CCC4)c3cc2Cl)=O)c1	1130
+C1C2C(CN1C(CN3CCC(CC3)N4C(=O)Cc5cc(ccc45)C(=O)NC)=O)CCC2	224
+C12C(CNC1)C2(c3cccc(NS(=O)(=O)C)c3)C	1569
+c1cc(ccc1)CN2CC3C(C2)C3(C)c4cccc(NS(=O)(=O)C)c4	80
+C1C2C(CN1c3cccc(Nc4cc(-c5cc(C(=O)OC)ccc5)nn6ccnc46)n3)C2	3599
+C1C2C(CN1C(=O)CCc3[nH]c4ccc(F)cc4c3C)C2(c5cc(NS(=O)(=O)C)ccc5)C	10
+O1CCOC2C1CN(C2)CC=CC(=O)Nc3c(OCC)cc4c(c3)c(ncn4)Nc5cc(ccc5)C#C	3600
+c1cc(ccc1-c2ccc(cc2)N3N=CCCC3=O)N4CCC5CN(CC45)C	79
+c1cc(ccc1N2C3CN(C)CC3CC2)Br	79
+c1cc(ccc1)C(c2ccc(cc2)N3CCC4CN(C)CC34)=O	34
+C12C(c3c(NC1=S)cccc3)CCC2	199
+C1(=N)Nc2c(C3CCCC13)cccc2	2518
+C12C(c3c(cc(CCOC(=O)C)cc3)NC1=O)CCC2	152
+C12C(CCC1)c3cc(Cl)c(CCOC(=O)C)cc3NC2=O	196
+C12C3CN(C1)CC23C=O	1137
+C12C3CN(C1)CC23C(C#N)N	2519
+C12C3NCCC1(COCC2)c4c(ccc(c4)O)C3	5
+C1CC1C(N2C3Cc4c(cc(cc4)O)C5(CC2)C3CCOC5)=O	58
+C(Cl)CN1C2C=C(CC1CC2)c3cc4c(cccc4)cc3	1507
+CC(C)(C)OC(CC1(CC2c3c(C1CC2)cccc3)O)=O	3601
+C12CC(=O)CC1C(CC2)CCCCC(CC)OC(C)=O	27
+C12CC(=O)CC1C(CC2)CCCCC(CC)O	88
+Clc1cccc(Cl)c1-c2noc(C3CC3)c2COC4(CC5CCC(C4)C56OCCO6)C	6090
+FC(F)(F)C(=O)N1C2CC(CC1CC2)=C3c4c(cc(cc4)Br)Oc5ccccc35	520
+C12CCC(CC(C1)O)N2c3c4c(-c5ccccc5)csc4nc(n3)Cl	1570
+C12CC(CC(CCC1)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O)C(N)=O	83
+CC(C)(C)OC(NCCNC(=O)C1C2(C(CC1)C3C(C(O)C2)C4(C(CC3)CC(CC4)O)C)C)=O	9
+N(C(C1CCC2C1(CC(O)C3C2CCC4CC(CCC34C)O)C)=O)C	9
+C1CC1N2c3c(c(c(c(C=C)c3C(C(C(=O)O)=C2)=O)F)N4C5CC(N(C)C5)C4)F	34
+CC(C)c1c2c(ncnc2sc1)N3C4CC(C(C4)OCCO)C3	1570
+C12CC3(CC(C1)CC(C3)C2)CC(Nc4c5c(ccc4)nc(cc5)CCCNCCCO)=O	2
+C12CC3CC(C1)CC(C2)(C3)CNC(c4c(Cl)ccc(c4)CCCNCCCCO)=O	285
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(Cl)ccc(NCCN(C(OC(C)(C)C)=O)CCS(C)=O)c4	441
+C12CC3(CC(C1)CC(C3)C2)CNC(c4c(Cl)ccc(c4)CCCO)=O	21
+C12CC3(CC(C1)CC(C3)C2)CNC(c4c(ccc(c4)-c5c(N6CC(C6)C(=O)OC)nccc5)Cl)=O	89
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4cc(-c5ccc(nc5Cl)C)ccc4Cl	89
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(nc5ccc4Cl)N6CC(N)CCC6	286
+C12CC3CC(C1)CC(C2)(C3)CNC(c4cccn5c4cc(n5)CO)=O	194
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5cc(COCC(=O)O)nn5ccc4	3
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(N6CC(CCC6)NCCC(O)=O)nc5ccc4Cl	479
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(N6CC(CCC6)NCCC#N)nc5ccc4Cl	1287
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(nc5ccc4Cl)N6CCC(NCCc7nnn[nH]7)C6	3408
+C12CC3(CC(C1)CC(C3)C2)CNC(c4cc(ccc4Cl)-c5c(nc(C)cc5)C#N)=O	1958
+C12CC3(CC(C1)CC(C3)C2)CNC(c4n5c(ccc4)nc(c5)C(OCC)=O)=O	1959
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(Cl)ccc(CCCOS(=O)(=O)C)c4	7
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(Cl)ccc(NCCN(CCSC)C(OC(C)(C)C)=O)c4	23
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(ccc(c4)-c5ccc(C)nc5C(O)=O)Cl	876
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(Cl)ccc(c4)CCC(O)=O	4
+C12CC3(CC(C1)CC(C3)C2)CNC(c4n5cc(C(O)=O)nc5ccc4)=O	6
+C12CC3(CC(C1)CC(C3)C2)COC(NC(CNC(c4sc(CCC(=O)N=C5NCCCN5)cc4)=O)C(=O)OC(C)(C)C)=O	6091
+C12CC3(CC(C1)CC(C3)C2)COC(NC(CNC(c4sc(CCC(=O)N=C5NCCCN5)cc4)=O)C(=O)OCC(C)C)=O	27
+C12CC3(CC(C1)CC(C3)C2)COC(NC(CNC(=O)c4sc(CCC(=O)N=C5NCCCN5)cc4)C(O)=O)=O	32
+C1C2CC3CC1(CC(C2)C3)c4c(CCCOCOC)cc5ccc(-c6ccc(cc6)C(OC)=O)cc5c4	6092
+C12CC3(CC(C1)CC(C3)C2)c4c(CCCO)cc5ccc(-c6ccc(cc6)C(OC)=O)cc5c4	347
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C#Cc5nc(cnc5)C	6093
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C(=O)OC	14
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C=O	24
+C1C2CC3CC1CC(C2)(C3)OCCOCCOCCOCCOCCO	6094
+C12CC3CC(C1)CC(C2)(C3)c4ccc(c(C)c4)OC	6095
+C1C2CC3CC1CC(C2)(C3)C(Nc4ccc5nc(N)sc5c4)=O	33
+C12CC3CC(C1)CC(C2)(C3)CNC(c4cc(ncc4Cl)CCC=O)=O	24
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(Cl)ccc(OCCCS(=O)(=O)CCCO)c4	1547
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(Cl)cnc(CCCO)c4	587
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5cc(nn5ccc4)COCC(=O)OCC	337
+C1C2CC3CC1(CC(C2)C3)NCc4ccc(cc4)C=CC(=O)OC	42
+CC(C)(C)OC(N1C2(CN(C2)C(NC34CC5CC(CC(C5)C3)C4)=O)CC1)=O	384
+C12CC3CC(C1)CC(C2)(C3)NC(c4ccc(nc4SCCC)Cl)=O	1272
+C12CC3CC(C1)CC(C2)(C3)NC(c4ccc(nc4SCCC)N5CCCC(CC(O)=O)C5)=O	4
+C1C2CC3CC1CC(C2)(C3)OCCOCCOCCOCCOCCN=[N+]=[N-]	133
+C12CC3CC(C1)CC(C2)(C3)c4cc(-c5cc(C=C6C(N=C(N7CCSCC7)S6)=O)ccc5)cc(F)c4O	3602
+C12CC3CC(C1)CC(C2)(C3)c4cc(c(OCC(NCCN(C)C)=O)cc4)C	9
+C1C2CC3CC1(CC(C2)C3)c4c(OCOC)c(C(=O)c5ccccc5)cc(-c6cccc(C=O)c6)c4	11
+C1C2CC3CC1(CC(C2)C3)c4ccc(c(C)c4)O	5
+C12CC3CC(C1)CC(C2)(C3)c4cc(C)c(cc4)OCC(=O)O	3
+C12CC=CC1(CCC3C4(C(=CCC23)C=C(OC)CC4)C)C	6096
+C12CCC(C1(CCC3C4C(=CC(CC4)O)CCC23)C)=C	6097
+c1ccccc1C(=O)C2CC3CCC(C2)S3	6098
+c1ccccc1-c2nnc(N3CC4CCC(C3)N4C)cc2	212
+CN(C)Cc1nc(Cl)nc(N2C3CCC2COC3)c1	1309
+c1cc(ccc1)COc2ccc3CC4CCC(Cc3c2)C4=O	22
+c1c(c(-c2n(c3c(c(N4CC5N(CC4)C(=O)CC5)nc(n3)C)n2)CCO)ccc1)Cl	1310
+C12CCC(C1(CCC3C4C(=CC(CC4)=O)CCC23)C)=C	6099
+CC(C)(C)OC(N1Cc2n(nc(C(=O)N3C4CCCC3CC(C4)C(OCC)=O)c2)CC1)=O	147
+CC(C)(C)OC(Nc1cc(ccc1C=CC(=O)N2C3CCCC2CN(C3)Cc4ccc(cc4)F)Cl)=O	404
+c1ccccc1COC(N2CCC34c5cc(ccc5CC2C3CCCC4)O)=O	66
+CC(C)(C)OC(=O)N1C(C(=O)O)CC2CCCCC12	663
+C1CC2CN(CC1C2NC)Cc3ccccc3	87
+C1C2CCC(CN1c3nc(nc(c3)Cl)-c4ccc(cc4)[N+](=O)[O-])O2	2520
+c1cc(ccc1S(=O)(=O)NCCN2CC3CN(CC(C2)O3)CCc4noc5c4cccc5)C#N	123
+C1N2CCOCC2CNC1	15
+Clc1ccc2c(cnnc2N3CC4COC(=O)N4CC3)c1	212
+c1cc(ccc1[N+](=O)[O-])-c2nc(NC(C)C)cc(N3C4COCC3CC4)n2	40
+C1C2C[Se]CC(CN1CCc3ccccc3)C2	1571
+CC(C)(C)[Si](C)(C)OCC1NCC2COCCN2C1	19
+CC(C)(C)OC(=O)N1CCOC2C1CCN(c3cc(cc(c3Cl)N)C#N)C2	23
+C1COCCN1c2c3C4CCC(c3c5n(c(nn5)C)n2)C4	212
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCOCC(OCC)=O	53
+CC(C)(C)OC(N1CC=C(c2cc3c(OCC4=NNC(=O)C(C)N34)cc2-c5ccccc5F)CC1)=O	563
+C1=2COc3cc(c(cc3N1C(C)C(NN=2)=O)Br)-c4ccccc4F	38
+c1cc(ccc1C)S(=O)(=O)OCCN2C(N(N3C4=C(N=CN(N)C4=NC23)c5ccco5)C)=O	36
+C1CC1C=2Cc3c(Cl)cccc3C=2	6100
+Cc1c(nc(cc1)COC(C)=O)C#N	6101
+c12N(C=C(C(=O)OCC)C(=O)c1cc(c(N3CCC(N)C3)c2F)F)C(CCl)C	34
+c1ccccc1COC2=COC(=CC2=O)CN=[N+]=[N-]	3603
+N#Cc1cc(F)c(cc1F)C2=CCN(CC2)C	1572
+n1c2c(ccc(Nc3cc(C=4CCN(C)CC=4)ncn3)c2)ccc1	1960
+C1CNCCC1c2cc3c(cc2OC)nnc(c3Nc4c(cc(cc4)C)F)C(N)=O	191
+C1CC(CCO1)c2c(nccc2)F	671
+C1COCCC1c2ccnc(F)c2	191
+n1(C)ncc(C=2NC(n3c(ncc3)C=2)=O)c1	6102
+c1cc(ccc1)Oc2cc(C)c([N+](=O)[O-])cc2C=3C=CC(=O)N(C)C=3	46
+C1CC(CCN1)c2cccc(c2F)F	191
+c1(C)cc(cc(C)n1)Oc2c(cc(C3=C(C(N(CCCC)C=C3)=O)C#N)cc2)F	6103
+c1(nc(ccc1C)C#N)COC(C)=O	6104
+C1=CC(Br)=CC(N1CC(CO)C)=O	95
+C1=CC(Br)=CC(N1CC(COC)C)=O	76
+c1cc(ccc1C2=CC(N(C=C2)CC(COC)C)=O)C(C)N3CCC(c4ccccc4)(OC3=O)CC(C)(C)O	6105
+c1cc(ccc1)C2CCN(CC2)C3=CC(=O)N(C=C3)CCCC	6106
+CC1(C)C(C)(C)OB(O1)C=2C=CN(CCO)C(C=2)=O	6107
+FC(F)(F)C(O)(C(C)c1c(Cl)c(Cl)c(OC)cc1)C=2C=CC(N(C)C=2)=O	6108
+C(C)N(CC)C(C)CC1(C=CCC=C1)c2ccccc2	15
+c1cc(ccc1C2CC(CC2)=O)Br	6109
+Cc1c2ccc(N3CC(OC3=O)Cn4nncc4)cc2on1	1961
+[nH]1c(C(NC2CCN(CC2n3nncc3)c4sc(C(OC)=O)cn4)=O)c(Cl)c(c1C)Cl	1961
+c1cc(ccc1C=2CC(Cn3nncc3)ON=2)Br	1961
+c1cc(ccc1I)N2C(=O)OC(Cn3ccnn3)C2	1961
+FC(F)(F)Oc1ccc(cc1)N2C(C3(CCN(CC3)C=4C(N(CCC)C=CC=4)=O)CC2)=O	6110
+n1cc(C=2C(N(C=CC=2)CCCCCl)=O)ccc1F	6111
+O(C(=O)C)CC=1N=C2C=CC=C(C)N2C(C=1Br)=O	3558
+OC(C=1N=C2C=CC=C(C)N2C(C=1Br)=O)C	3604
+C1=CC=C(C)N2C(C(Br)=C(N=C12)C=O)=O	3605
+c1(cc(F)ccc1)C=2C(N3C(=NC=2CO)C=CC=C3C)=O	1100
+C1=CC=C(C)N2C(C(Br)=C(CCl)N=C12)=O	2521
+O=CC1=CC=C([Se]1)c2c(c(F)c(cc2)OCC)F	3606
+C1=CCC(C1)(C(=O)OC)c2cc(O)cc(F)c2	5
+C1=CC(C=CC1)(c2ccccc2)CCOS(=O)(=O)C	7
+C1CCCC2(CC1)CCC(C2)CO	460
+C1C=CCN1C(C2CCCN(c3ccc4c([nH]c(-c5nc(ccc5)C6CC6)n4)n3)C2)=O	6112
+c1(cc(cc(F)c1)C=2C(=O)N3C(SC=C3)=NC=2C)F	6113
+C1=CSC2=NC(C)=C(I)C(N12)=O	6114
+c1c2c(c(c(F)c1)F)OCCC2	374
+c1cc2CCCOc2cc1F	374
+CC1(C)C(N(c2cc(CNCCN3C(=O)c4cc(oc4C=C3)C)ccc2N(CC)C1=O)C)=O	42
+CC(C)(C)OC(=O)NC1CC(=C)CC1C(O)=O	37
+Cc1c(COc2n(C)nc(C(=O)OC)c2)c(no1)-c3ncccc3	6115
+Clc1n2c(ccn2)nc(c1)C(=O)OC	6116
+c1(c(NC2=C(C(CCC2)=O)C)cc([N+]([O-])=O)cc1)Cl	6117
+C1(C(CC1)=NO)c2ccccc2Cl	350
+Nc1cc2CC(CCCc2cc1)=O	0
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C3=CCCCC3)C4CC(=O)N(C(C4)=O)C	616
+C1C(=O)N(C(CC1c2cc(c(cc2)N)C=3CCCCC=3)=O)C	989
+C1C(=O)N(C(CC1c2ccc(N)c(c2)Br)=O)C	38
+C1CN(CCC12CCNC(C2)=O)Cc3ccccc3	3598
+CC1(C)CCC(c2cc(ccc2N)C3CC(=O)NC(C3)=O)=CC1	989
+C1C(=O)NC(CC1c2cc(c(cc2)N)Br)=O	38
+CC(C)CC(CP(CN1C(CCCC1=O)=O)(=O)OCC)C(NC(CC(C)C)C(NC)=O)=O	6118
+C1N(CCc2c1sc(N)n2)C(=O)C	2522
+c1cc(ccc1F)C=2C(=O)CCC=2OCC	6119
+Clc1cc(cc(Cl)c1)COC(N2CCC(CC2)CCN(C)C(C=3CC(=O)NN=3)=O)=O	6120
+C1(N(CC(=O)N2CCCC2C(=O)N3C(C(=O)OC)CCC3)CCC1)=O	478
+N1(c2ccc(C)c(c2C)COc3cccc4ccc(C)nc34)C(CO)CCC1	21
+c1cnc(Cl)c(CNC(C2c3cnn(C)c3CCC2)=O)n1	9
+C12=C(CCNC1)c3c(cc(OC)cc3)OC2=O	3607
+c1(cc(NC(N2Cc3c(CC2)nc(nc3O)-c4ccc5OCOc5c4)=O)ccc1)CC	6121
+C1(CCN(CC1CC)C(=O)OCC)N	316
+C1C(C(CN(c2oc(C(=O)O)c(C)n2)C1)OC)NC(c3nc(Cl)c(CC)[nH]3)=O	6
+O=S(=O)(N(c1ccncn1)Cc2ccc(cc2OC)OC)c3ccc(c(c3F)F)OC4CCCC4c5ccnn5C	57
+c1(cc(ccc1F)CNC2C(CCC2)C(OC)=O)C	42
+c1c(C(C2CC2C(OC)=O)=O)cc(c3OCCCc13)Cl	94
+C1C(C(=O)O)N(C(=O)CN2CCCC2=O)CC1	4
+CC(C)(C)OC(=O)NC1C(N2C(C(=O)OC)CCCC2SCC1)=O	1245
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	2523
+C1C(C)C(C(CN1C(OCC)=O)C)N	316
+C1(CN(CC(C)C1NC)C(OCC)=O)C	87
+C1CN(C(=O)OC)CC(C)C1Nc2c([N+]([O-])=O)cc(Cl)cc2	205
+C1C(NC(=O)c2c(c(Cl)c([nH]2)C)C#N)C(C)CN(C1)C(=O)OC	81
+Fc1cc(cc(F)c1OCC#C)C(NC2C(CCC2)C)=O	93
+C1C(C)CC(CC1CC(=O)OCC)C	774
+CC1CC(CC(C)C1)CC(O)=O	3
+N(C(C)=O)C1C(=O)NC(C(NC(CC(C)CCCCCCC1)C(O)CC(C)C(NCCCC)=O)=O)C	952
+CC1CN(CC(C)N1Cc2ccccc2)c3cc4c(C(=O)N(C)C)coc4cc3	79
+C1(CNCC(C)N1S(=O)(=O)c2cccc(C#N)c2)C	25
+c1cc(ccc1Nc2ncn(-c3ccnc(N4CC(C)N(C(C4)C)C(=O)C)c3)n2)N	1497
+C1(COCC(C)N1CCNC(C2CCCCN2c3nc4c(cccc4)o3)=O)C	9
+CC(C)(C)c1onc(c1)NC(NC2CCC(c3c2cccc3)Oc4ccc5nnc(N6CCCCC6C)n5c4)=O	1962
+C1C(C)NC(CN1c2ccc(c(N)c2)OC)C	0
+O=S(=O)(c1ccc(Br)cc1Cl)Nc2c(OC)ccc(N3CC(C)NC(C3)C)c2	69
+C1(CN(CC(C)N1C)c2ccc3occ(c3c2)C(=O)N(C)C)C	113
+CC1CC(CC(C)O1)(c2nc(COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC)cs2)O	1963
+c1cc(ccc1S(=O)(=O)n2c3cc(cc(c3cn2)C(=O)NNC(=O)CN4CC(C)OC(C4)C)Br)C	2524
+CC1CN(CC(C)O1)CCNC(=O)Nc2nc3c(cc(cc3)SC#N)s2	238
+CC1(C)C(C)(C)OB(O1)c2cc(C=O)c(c(c2F)F)N3CC(C)OC(C)C3	17
+C[Si](C)(C)C#Cc1cc(c(N2CC(C)OC(C2)C)c(c1F)F)C=O	263
+C1C(C)OC(CN1c2ncc(cc2)C=C(F)c3nn(Cc4ccc(nc4)F)c(C)c3)C	6122
+C1(C)CN(CC(C)O1)c2ccc(Nc3nc4N(C(=O)C(Br)=C(C)c4cn3)C5CCCC5)nc2	3608
+C1C(C)OC(CN1c2ncc(cc2)C=C(F)c3nn(Cc4cnc(cc4)NC)c(C)c3)C	182
+c1cc(ccc1C)CCN(C)CCCCCC2C3C4C(C)(CC(C3c5ccc(O)cc5C2)F)C(CC4)O	28
+ClC(=NO)C1CCC2CC2C1	1964
+N1(Cc2cc(C(OCC)=O)sc2CC1)C(OCC)=O	3609
+C1C(C=NO)CCC2CC12	410
+c1(cccc(C2CN(C(C2)=O)c3cccc(C(=O)N)c3)c1)Oc4ccccc4C#N	472
+C1C(CC(N)=O)CC(C)CC1	83
+C1C(CC(NCC(N)=O)=O)CC(C)CC1	207
+C1CC(CCC1(c2cccnc2)C#N)=O	1965
+N1(C(CC(SC(=O)C)C1)C(=O)N)C	6123
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3cc4c(ncnc4cc3)NC5CCNC(C5)=O	40
+C1C(c2cccnc2)CC(O)C1	59
+C1C(CC1=O)c2nc(c3c(Cl)nccn23)I	6124
+c1cc(ccc1C2(CC(C2)=O)CC(OCC)=O)O	86
+C1C(CC1OS(=O)(=O)C)(C#N)c2ccccn2	7
+C1CCC1(C(=O)C)c2ccc3ccccc3c2	3610
+C1C(CC1)(C(=O)N2CCC(Nc3cc(c4c(ccc(c4)O)n3)C)C2)c5ccc(cc5)Cl	5
+C1CN(CCO1)c2nc(Nc3ccc(cc3)C4(CCC4)C(OC)=O)nc5c2CCC5	55
+c1cc(ccc1Nc2nc(Cl)nc3CCCc23)C4(CCC4)C(OC)=O	73
+C1C(CC1)(C(O)CN2CCCCC2)c3ccccc3	100
+C1CCC1(C)C(Nc2c(cnc(n2)Cl)F)CC(=O)OC	40
+FC(F)(F)Oc1ccc(cc1)C#CCC2(CCC2)C(=O)OCC	121
+CC(C)(C)OC(=O)N1CC(C(=O)CC1)C(=O)C2(CCC2)C	6125
+C1C(CC1)(c2c(cc(cc2)Cl)OC)C=3c4cc(O)ccc4CCN=3	16
+O=S(=O)(CCC)NCCOc1cc2C(C3(CCC3)c4nc(Cl)ccc4)=NCCc2cc1	111
+C1C(CC1)(CC(N)=S)COCc2ccccc2	3378
+c1cc(ccc1)-c2csc(CC3(CCC3)COCc4ccccc4)n2	963
+c1cc(ccc1)-c2nc(sc2)CC3(CCC3)COC(=O)NC(C(O)C(NC(c4ccccc4)C)=O)CCCC	6126
+C1C(CC1)(F)c2ccc(C)[n+]([O-])c2Cl	103
+C1C(CC1)(O)c2sc(cn2)-c3cc(cc(c3)Nc4nc(-c5cnn(c5)CC(C)(C)O)ccn4)C	55
+C1C(CC1)(F)c2ccc(nc2Cl)C	6127
+CC(C)(C)OC(NCCOc1cc2C(C3(CCC3)c4nc(Cl)ccc4)=NCCc2cc1)=O	8
+C1CCC1(c2ncc(s2)Br)O	617
+C1CCC1=CC(Nc2cc(F)ccc2)=O	1966
+C1CCC1Oc2c3CCC(N(c3ccc2Br)C(C4CC4)=O)C	521
+CC(C)(C)OC(NC(C)COC1CCN(CC1)c2nc3c(cc(OC4CCC4)cc3)o2)=O	521
+C1CCC1n2c3cc(ccc3c(C#N)c2)OC	6128
+C1C(CC1)c2[nH]c3cnc(cc3c2)Cl	6129
+C1CCC1c2cc3c(nccc3)[nH]2	6130
+c1cc(ccc1-c2csc(NC(C3CCC3)=O)n2)C(C)C	290
+C1C(CC1)C(N2CC(Nc3c(cnc(-c4c[nH]c5ncc(cc45)Cl)n3)F)CCC2)=O	58
+C1C(CC1)C(=O)N2CC(c3c4cccc5CCCn(c3)c45)C(c6c7c(cccc7)[nH]c6)C2	58
+c1cc(ccc1C(=O)C2CCC2)C	94
+C1C(CC1)C(NNC(c2ccc(cc2)C3(CCN(CC3)Cc4ccccc4)c5cc(OC)ccc5)=O)=O	1086
+c1cc(ccc1NC(C=2C(=O)N(c3ccccc3)N(C=2C)C)=O)Oc4cc(ncc4)NC(C5CCC5)=O	195
+C1C(CC1)C(N(CCCNc2c(cnc(Cl)n2)Br)C)=O	58
+C1CC(CCN1Cc2ccccc2)(c3cccc(c3)OC)c4ccc(cc4)-c5oc(nn5)C6CCC6	877
+c1cc(ccc1COC2=CC(N(C=C2)c3ccc4c(c3)n(c(C5CCC5)n4)C)=O)Cl	953
+C1C(CC1)c2c(nnc(Cl)c2)Cl	6131
+C1CCC1C(c2c(c(ccc2)C(C)C)O)C	564
+c1cc(ccc1)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN3Cc4ccccc4C(C5CCC5)(C(O)C3)O	61
+C1CN(CCN1CC2CCC2)c3c(cc(N4CC(C)OC(C)C4)cc3)C5CCC(C)(C)CC5	28
+CC(C)(C)OC(=O)N1CCC(CC1)(COCc2ccccc2)COCC3CCC3	176
+FC(F)(F)COc1cc(ccc1[N+]([O-])=O)C(C(=O)OC)CC2CCC2	3611
+C1C(CC1)CN2C3=C(C=C(c4cc(ccc4)Cl)C2=O)CN(S(=O)(=O)C)CC3	990
+C1C(CC1)N2C(=O)Cc3cc(NCC(O)C(OC)=O)ccc23	1967
+C1C(CC1)N2C(Cc3cc(ccc23)N)=O	0
+CC(C)(C)OC(N1CCC(CC1)c2nc3CCN(C4CCC4)CCc3s2)=O	6132
+C1CCC1N2CCc3sc(-c4ccc(cc4)Br)nc3CC2	6133
+C1C(CC1)N2CCC3(CCN(CC3)c4nnc(SC)cc4)CC2	1929
+c1cc(ccc1)COC(N2CC(C2)C(=O)N3CCCN(C4CCC4)CC3)=O	10
+C1C(CC1)N2CCc3cc(Nc4ccc(N5C(=O)CCC5)cn4)ccc3CC2	201
+C1C(CC1)N2CCc3cc(NC(=O)c4ncc(Br)cc4)ccc3CC2	187
+C1C(CC1)N2CCc3c(cc(cc3)Oc4ccc(nc4)O)CC2	104
+C1C(CC1)N2CCc3cc(ccc3CC2)OCCCC(=O)OCC	8
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4ncc(nc4)Cl	842
+C1C(CC1)N2CCc3ccc(OCc4c(F)cc(F)cc4)cc3CC2	22
+C1C(CC1)N2CCc3c(CC2)cc(cc3)Oc4cnc(cc4)OC	706
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4cnc(cc4)C#N	6134
+C1C(CC1)N2CCc3c(cc(cc3)Oc4cnc(nc4)C#N)CC2	6135
+C1C(CC1)N2CCc3c(ccc(c3)Oc4c(N5C(=O)CCC5)nccn4)CC2	842
+C1C(CC1)N2CCc3nc(C4CCN(CC4)C(=O)N5CCCC5)sc3CC2	776
+C1C(CC1)N2CCc3c(CC2)ccc(O)c3	16
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4ccc(cc4F)N5CCN(C)C5=O	6136
+c1nc(ncc1C(NCc2cc3c(cc2)CCN(C4CCC4)CC3)=O)N5CC(C5)OC	484
+C1C(CC1)N2CCc3cc(NC(=O)c4ccc(-c5cnccn5)cn4)ccc3CC2	3211
+C1C(CC1)N2CCc3cc(OCCCC(n4cncc4)=O)ccc3CC2	3612
+C1C(CC1)N2CCc3cc(OCCCC(=O)O)ccc3CC2	3
+C1C(CC1)N2CCc3c(CC2)cc(cc3)N	0
+C1C(CC1)N2CCc3c(CC2)cc(Oc4ncc(nc4)N5CCCC5=O)cc3	3613
+C1CCC1N(c2cccc(c2)F)S(=O)(=O)c3ccc(cc3)F	416
+CC(C)(C)OC(CCC(C(=O)N1CCN(CC1)C(=O)OC2CCC2)NC(OCc3ccccc3)=O)=O	10
+CC(C)(C)OC(N1CC(C1)N2CCN(CC2)C(CNc3cc(c(cc3OC)Cl)C4CCC4)=O)=O	6137
+C1CCC1c2[nH]c3c(c(cc[n+]3[O-])Cl)c2	6138
+C1C(CC1)c2cc3cc(ncc3[nH]2)N	664
+C1CCC1c2cc(c(cc2-c3cc(CC)n[nH]3)C(O)=O)C	1
+C1C(CC1)c2c(C(=O)CC(CC)=O)cc(c(C)c2)C(=O)OC	6139
+C1C(CC1)c2c(-c3cc(CC)[nH]n3)cc(c(c2)C)C(=O)OC	6140
+c1cc(ccc1O)C=NNc2nnc(Cl)c(C3CCC3)c2	878
+C1CCC1c2cc(Br)cc(c2OC)C=O	297
+C1C(CC1)c2c(Cl)nnc(c2)NN	599
+C1C(CC1)c2cc3n(nc2Cl)c(nn3)-c4ccccc4F	1968
+C1C(CC1)c2cc3n(nc2Cl)c(nn3)-c4ccccc4	1968
+c1cc(ccc1C2(CCN(CC2)C(=O)c3cc(C(OC)=O)c(C4CCC4)cc3CC)F)C#N	30
+CC(C)(CNc1nn2c(cc1C3CCC3)nnc2-c4ccccc4)CN(C)C	232
+C1C(CC1)c2cc3nnc(-c4ccccc4)n3nc2N	1969
+C1CCC1c2c(NCc3ncn(C)n3)nn4c(nnc4c2)-c5ccccc5	232
+C1CCC1c2c(c(F)c(cc2)-c3cc4OCCNc4nc3)O	5
+C1C(CC1)c2c(O)c(cc(c2)Br)C=O	38
+c1cc(ccc1)Oc2ccc(cc2)-c3c4c(N)ncnc4n(n3)C5CC6(C5)CN(C(=O)OCc7ccccc7)CCC6	3614
+C1C2(CO1)CC(C2)=CC#N	1573
+O=S1(=O)CC2(CC(C2)n3c(nc4c3ccc(Cl)c4)CCl)C1	3615
+C[Si](C)(C)CCOCn1c2ncnc(-c3cn(C4(CC(C4)C(OC)=O)CC#N)nc3)c2cc1	2525
+c1cc(ccc1OCc2cc3c(-c4ccc(OCCOCC)cc4C)csc3cc2)C5(CC(C5)=O)CC(O)=O	3
+c1cc(ccc1OCc2cc3c(cc2)scc3-c4c(cc(cc4)C5=CCS(=O)(=O)CC5)C)C6(CC(C6)=O)CC(O)=O	3
+C1C(CC1C(=O)OC)=O	167
+C1C(CC1=O)C(N(OC)C)=O	164
+C1C(CC1c2nc(no2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)=O	859
+C1C(CC1O)C(=O)N(OC)C	100
+FC(F)(F)c1c(Cl)cc(c(NC(CCC2CC(C2)=O)=O)c1)N	1294
+C1C(CC1=O)CCC(=O)O	3
+C1CN(CCC1)C2(CC(C2)COCc3ccccc3)C#N	735
+C1C(CC1c2n3c(c(Cl)ncc3)c(n2)I)N4CCN(CC4)C	85
+C1CN(CCN1C2CC(C2)c3n4c(c(Cl)ncc4)c(n3)I)C(=O)C	85
+C1C(CC1CSCCC)(CC2CC2)C#N	2455
+C1C(CC1n2c3c(c(N)ncn3)c(-c4cccc(c4)OCc5ccccc5)c2)CN(C)C	15
+CC1(C)CC(C1)C(=O)N	83
+CC(C)(C)OC(Nc1cc(-c2noc(C3CC(F)(F)C3)n2)ccc1C)=O	1289
+C1C(CC1COC(F)F)NC(N2Cc3n(nc(c3C(=O)N)-c4cccc(c4)Cl)CC2)=O	6141
+C1C(CC1=CC#N)C(=O)OC	1573
+C1C(CC1C(OC)=O)(C)O	736
+c1cc(ccc1)COC2CC(C2)c3[nH]c4c(cccc4)n3	791
+C1C(CC1(C)F)C(=O)OC	1138
+C1C(CC1N=[N+]=[N-])C(=O)O	4
+C1C(CC1C2Oc3ccccc3C(N)C2)C(=O)OCC	2526
+C1C(CC1C2CC(=NOC)c3ccccc3O2)C(=O)OCC	189
+C1C(CC1C2CC(c3ccccc3O2)=O)C(=O)OCC	6142
+C1C(CC1C(=O)O)CC#N	4
+C1CC2(CCC1O2)COc3c(F)ccc(c3)-c4cn(C5CC(C5)CN6CCS(CC6)=O)c7c4c(N)ncn7	1311
+C1CN(CCS1=O)CC2CC(C2)n3cc(-c4cccc(OCC5OCCC5)c4)c6c(N)ncnc36	1311
+C1C(CC1C=O)C(OCC)=O	24
+O=S(=O)(OCC1CC(C1)O)c2ccc(cc2)C	36
+O=S(=O)(CCC)CC1CC(C1)(C#N)CC2CC2	991
+C1C(CC1CO)N2C=C(C(=N)NC2=O)F	6143
+C1C(CC1OCC(C)(C)O)N2C(=O)C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)=C(CCC)n6ncnc26	618
+C1C(CC1N)(c2ncccc2)C#N	18
+c1ccccc1[Si](c2ccccc2)(OC3CC(C3)C(N(OC)C)=O)C(C)(C)C	328
+c1ccccc1COC(=O)C2CC(C2)Oc3c(C)cc(cc3C)-c4nc5c(nc(Oc6c(cccc6)F)nc5)o4	20
+C1C(CC1COc2ccc(c(C)n2)Br)=O	86
+C1C(CC1(c2ccc(cc2)O)CC(OCC)=O)O	59
+c1cc(ccc1Br)OCCC2CC(C2)OC3OCCCC3	20
+C1C(CC1N=[N+]=[N-])(c2ncccc2)C#N	298
+C1CN(CCN1C2CC(C2)c3n4ccnc(N)c4c(n3)I)C	522
+C1C(CC1(CO)O)c2nc(c3c(Cl)nccn23)I	3616
+O1CCOC12CC(C2)c3onc(-c4cc(NC(=O)c5n6ccccc6nc5)c(cc4)C)n3	381
+C1C(CC1CN2CCS(CC2)=O)n3cc(c4c3ncnc4N)I	1306
+O=S(=O)(OCC1CC(C1)n2cc(c3c2ncnc3N)I)c4ccc(cc4)C	1312
+O=S(=O)(c1c(cccc1)C)OCC2CCC(=CC2)CCCCC	6144
+CC(C)(C)OC(=O)N(C1CC(c2c3cc(ccc3[nH]c2)[N+](=O)[O-])CCC1)CC	23
+c1cc(ccc1F)C(=O)N2CC(NC(=O)NC3C4C(OC3)C(CO4)Oc5c(nccc5)C)CCC2	115
+n1n(c2nc(-c3cnn(C)c3)cnc2n1)CC4CCCNC4	6145
+C1C(CCCN1C(=O)c2cnc(c(Cl)c2)Nc3ccc(C)nc3)CCC	1970
+C1CN(CCC1CN(C2CCN(C)C2)C)c3c4c(csc4nc(Cl)n3)-c5ccccc5	61
+c1(cccnc1N2CC(CC2)F)CO	295
+CC(C)(C)OC(=O)N1CCCC(CN)C1	23
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)CN6CC(F)(F)C6	48
+C1CC1COc2nc(ccc2N3CC(F)(F)C3)C(=O)NC(CC)(CC)C(N4CC(C4)(F)F)=O	10
+C1C(CN1C(c2cc(N(C(c3cc4c(-c5c(OCC4)cc(cc5)Br)s3)=O)C)c(cc2)Cl)=O)(F)F	30
+C1N(CC1(F)F)c2cnc(C(OC)=O)cn2	317
+C1N(CC1(O)c2cc(cc(F)c2)Cl)CC	183
+C1N(CC1C(=O)N2CCCN(C3CCC3)CC2)C(CC)=O	58
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(-c3c(c(ccc3)CCCN4CC(C4)C(O)=O)CC)s2	61
+c1cc(ccc1CN2CC(C2)C(=O)O)-c3onc(-c4cc(C#N)c(OC(C)C)cc4)n3	48
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(-c4ccc(cc4)CN5CC(C5)C(O)=O)n3	48
+FC(F)c1nc(N2CC(C2)C(O)=O)c(cc1C(OCC)=O)C#N	43
+C1C(CN1c2c(C#N)cc(c(CC)n2)C(=O)OCC)C(O)=O	43
+C1C(CN1Cc2cc(ccc2C)NC(CC)c3cc(c(Cl)cc3)C)C(=O)O	48
+C1C(CN1c2nc(-c3cc(ncc3)Cl)cc4c2ccnc4)C(O)=O	43
+c1cc(ccc1)Cc2cc3c(cc2)oc(-c4ccc(cc4F)C(C)N5CC(C5)C(=O)O)c3	3617
+C1C(CN1Cc2ccc-3c(c2)CCc4c(noc-34)-c5ccc(cc5)CCC)C(=O)O	48
+CC(C)(C)[Si](C)(C)Oc1cc2c(cc(cc2)CN3CC(C3)C(OC)=O)cc1	48
+C1C(CN1c2cc(nc(C)n2)-n3nc(nc3C)C)C(OC)=O	54
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(=O)N6CC(C6)C(=O)OC)CCC3)n2	10
+c1ccccc1COc2ccc(cc2)C3(CC3)c4nc5c(nc(-c6c(F)cc(cc6)CN7CC(C7)C(OC)=O)s5)cc4	48
+C1C(CN1C(c2sc3ccc(-c4ccccc4)cc3c2F)=O)NC5CCN(C(=O)c6ccccc6)C5	6146
+C1N(CC1O)c2c(F)c3N(C=C(C(=O)OCC)C(c3cc2F)=O)C4CC4	34
+C1N(CC1O)CCc2ccccc2N3CCCCC3=O	61
+CC(C)(C)OC(NC(C(CC)C)C(N1CC(C1)O)=O)=O	10
+FC(F)(F)Oc1ccc(C2CC(CN(C(=O)N3CC(C3)O)C2)c4nc(OCC)no4)cc1F	468
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c(C)ccc3c2C=CN(C(CN4CC(C4)O)C)C3=O	123
+C1C(CN1c2c(cc([N+]([O-])=O)cc2)F)O	34
+C1N(CC1O)c2ncc(cc2)[N+](=O)[O-]	43
+C1N(CC1O)C(c2cc(-c3ccc(C)cc3C#N)cc(C(=O)OCC)c2)=O	30
+C1N(CC1O)C(=O)C2=C3CCCN3C(=O)C(F)=C2Nc4c(F)cc(I)cc4	6147
+C1N(CC1O)C(=O)OCc2ccccc2	66
+C1N(CC1O)C(=O)c2nnc(o2)-c3ccc(cc3)OC	3618
+CC(C)c1ccc(cc1)CN2CC(C2)O	48
+c1cc(ccc1CN2c3c(ncc(N4CC(C4)O)c3)C=CC2=O)OC	244
+C1CC(CCO1)c2cc(ncc2)N3CC(C3)c4[nH]c5c(cc(Cl)cc5)n4	361
+C1N(CC1c2nc3cc(Cl)ccc3[nH]2)c4c(cnc(Cl)n4)Cl	54
+O=S(=O)(C)N1CC(C1)c2ccc(c(F)c2)N(C)c3ncc4c(n(C)cn4)c3	112
+C1C(CN1c2ncc3ccc(Cl)cc3n2)c4c(nccn4)-c5cc(c(cc5)C(NC)=O)F	549
+C1C(CN1c2ccc3c(cc(cc3)F)n2)c4c(-c5cc(c(cc5)C(NC)=O)F)nccn4	3619
+CC(C)(C)[Si](C)(C)OCc1cccc(N2CCN(CC2)CC(=O)N3CC(C3)OC)c1F	224
+C1N(CC1C(=C)C(OCC)=O)C(OCc2ccccc2)=O	3620
+C1CN(CCC1O)c2nccnc2C3CN(C3)C(c4[nH]c5ccccc5n4)=O	317
+C1N(CC1NC)C(c2ccc(c(F)c2Nc3c(cc(cc3)I)F)F)=O	1971
+C1C(CN1CC(NC)C(C)CC)O	15
+C1N(CC1CNc2c3sccc3nc(n2)Nc4cnn(C)c4)C(C=C)=O	6148
+C1C(CN1C(OCc2ccccc2)=O)C3(CC3)C(=O)O	3
+C1N(CC1Oc2ccc(Br)cn2)C(Nc3cccnn3)=O	6149
+C1N(CC1(F)F)C(=O)c2ccc(c(c2)N(C(c3cc4CCOc5cc(C(=O)NCCS(=O)(=O)C)ccc5-c4s3)=O)C)Cl	2527
+c1cc(ccc1C(c2cccc(c2)C#N)N3CC(C3)C(c4cc(C(O)=O)cc(c4)F)C(C)(C)F)Cl	6
+c1cc(ccc1Cl)C(c2cc(ccc2)C#N)N3CC(C3)C(C(C)(C)F)c4cc(cc(F)c4)CO	217
+C1N(CC1O)CC(C(CC)C)N(C)C(c2cc(c(cc2)F)F)=O	30
+C1N(CC1Oc2ccc(cc2)Cl)CC3C(CCCC3)NC(=O)Nc4nnc(s4)CC	238
+c1ccccc1OC2CN(C2)CCC(CO)NC(=O)Nc3sc(nn3)CC	992
+c1c(OC)cc(cc1NC(=O)NC(CCN2CC(C2)Oc3ccc(cc3)Cl)CO)OC	282
+C1C(CN1CCC(CO)NC(=O)Nc2sc(nn2)CC)Oc3ccc(cc3)Cl	238
+c1cc(ccc1Cl)OC2CN(C2)CCC(NC(Nc3cc(CC)nn3C)=O)COC	238
+c1cc(ccc1)C(c2cc3c(oc(c3)-c4c(F)cc(CN5CC(C5)C(OC)=O)cc4)cc2)O	488
+C1C(CN1Cc2cc(c(C#Cc3ccc(Br)cn3)cc2)F)C(OC)=O	3621
+C1C(CN1Cc2cc(F)c(-c3oc4c(cc(cc4)C(c5ccccc5)=O)c3)cc2)C(OC)=O	1936
+C[Si](C)(C)C#Cc1c(F)cc(CN2CC(C2)C(OC)=O)cc1	263
+CC(C)(C)[Si](C)(C)n1c2c(c(c(cc2)F)-c3nc(c4nc(CN5CC(C5)N6CC(NCC6)=O)ccc4n3)N7CCOCC7)cc1	3622
+C1C(CN1Cc2ccc3nc(-n4c(nc5c4cccc5)C(F)F)nc(N6CCOCC6)c3n2)N7CCOCC7	3623
+O=S(=O)(NC(C1CN(C1)c2c(C#N)cc(c(CC)n2)C(=O)OCC)=O)Cc3ccc(F)cc3F	344
+c1cc(ccc1CS(=O)(=O)NC(C2CN(C2)c3c(C#N)cc(c(CC)n3)C(=O)OCC)=O)Cl	344
+C1C(CN1c2ccc(N)cc2F)O	0
+C1N(CC1C(N2CC(C#C)CC2)=O)c3n4nccc4nc5CCN(CCc35)C	113
+C1N(CC1C(Nc2ccccc2N)=O)c3cc(nc(C)n3)-n4nc(nc4C)C	33
+C1C(CN1c2cc(nc(C)n2)-n3nc(nc3C)C)C(O)=O	4
+c1cc(ccc1)OC(=O)Nc2cc(c(cc2)N3CC(C3)O)F	90
+c1cc(ccc1Oc2cc(OC)ncc2[N+](=O)[O-])N3CC(C3)OCCOC4CCCCO4	242
+C1N(CC1Oc2cc(ccc2Br)F)c3cnc(cn3)C(=O)O	1
+C1N(CC1C(=O)NC(C)C)c2nc(-c3cc(ncc3)Cl)cc4cnccc24	9
+C1N(CC1c2nc3ccccc3n2CC)c4nc(C)nc(-n5c(C)nc(C)n5)c4	1519
+FC(F)(F)CC(=O)Nc1ccc(cc1)Sc2nc(c(c(N3CC(C3)(F)C4CC4)n2)F)Nc5cc(n[nH]5)C	3624
+C1N(CC1OC)c2ncc(cn2)C(=O)O	1
+CCNCC1(CCCNC1)O	1574
+c1n(ccn1)-c2nnc(OC3CN(CCC3)Cc4cc5c(OCO5)cc4)cc2	171
+FC(F)(F)C(=O)N1CC(c2c3c(ccc2)[nH]cc3)CCC1	520
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(N(CC3CCCO3)Cc4nc(O)c5c(n4)CCOC5)=O	10
+C1CC1CN2CCC(CO)C2	61
+CC(C)(C)OC(=O)N1CC(CO)CCC1	23
+CC(C)(C)[Si](C)(C)OCC1CCCNC1	19
+c1(N2CC(CO)CCC2)c(cccc1)C=O	34
+c1cc(ccc1)COC(=O)N2CC(CO)CCC2	66
+c1cc(ccc1C2(CCC2)C(=O)N3CCCC(C3)CO)Cl	10
+C1COC(O1)(CCCN2CC(CCC2)CO)c3ccc(cc3)F	53
+c1cc(ccc1Oc2ccccc2)NC(=O)Nc3ccc4cn(CCCN5CCCC(CO)C5)nc4c3	61
+C1c2c(CC1CO)ccc(Oc3ncc(cc3)C(=O)N)c2	136
+CC(C)(C)OC(=O)N1CCc2c(n3nccc3nc2CC1)N4C(CO)CC4	1575
+C1CC(CCC1)C(C)NC(c2c3ccccc3nc(-c4cccs4)c2CN5CCN(CC5)C(N6C(CO)CCC6)=O)=O	776
+CC(C)(C)OC(N1C(CO)CCC1)=O	23
+OCC1N(CCC1)CCCOc2c(cc3c(Nc4c(cc(c5OCOc45)C#CCOC)Cl)ncnc3c2)OC	53
+Cc1c(c2n(c(cc(n2)N3C(CO)CCC3)-c4cc(Cl)ccc4)n1)I	790
+Clc1cc(cc(Cl)c1)C(C)(C)C(=O)N(c2c(cc(N3C(CO)CCC3)nc2)-c4ccccc4Cl)C	43
+c1c(F)cc(cc1-c2cc(N3CCCC3CO)nc4n2nc(C)c4I)F	790
+C(N1CCCC1CO)C#N	1576
+C(CC(NCCCN1CCCC1=O)=O)C(N2CCCC2CO)=O	731
+c1(cc(ccc1O)Nc2c3c(OCC4NCCC4)cccc3ncn2)Cl	1111
+c1cc(CNc2c(cnc(N3C(CO)CCC3)n2)C=O)cc(Cl)c1OC	3625
+OCC1N(c2cc(n3nc(C)c(I)c3n2)-c4ccc(c(c4)F)F)CCC1	790
+c1cc(ccc1S(=O)(=O)OCC2OC(C(C2)OC(C)=O)n3cnc4c(N)ncnc34)C	36
+FC(F)(F)S(=O)(=O)OCC1OCCCC1	1932
+C1C(CO1)(C(c2ccc(C)o2)NC3=C(Nc4cccc5NC(=O)Oc45)C(=O)C3=O)C	993
+C1C(CO1)(C(c2ccc(C)o2)NC3=C(C(=O)C3=O)Nc4cccc(C(O)=O)c4O)C	993
+C1C(CO1)(C(c2ccc(C)o2)NC3=C(Nc4c(c(ccc4)C(=O)CNCC(OC)=O)O)C(C3=O)=O)C	3626
+C1OCC1(C(c2ccc(C)o2)NC=3C(C(C=3Nc4c5c(NC(=O)N5)ccc4)=O)=O)C	993
+C1OCC1(C(c2oc(C)cc2)O)C	3627
+C1CCCCC1C2(COC2)C=O	24
+C1CC(CCO1)Oc2c3[nH]c(cc3cc(c2)Oc4ccc(S(=O)(=O)C)nc4)C5=NCC(CC(NCC6(COC6)C)=O)S5	9
+C1C(CO1)(COS(=O)(=O)C)Cn2cc(cn2)[N+]([O-])=O	7
+C1C(CO1)(COC)COc2c(ccc(OC)c2OCC3CC3)-c4cccc5C(=O)CCc45	8
+CN(C)CC1(COC1)Cn2ncc(c2)[N+]([O-])=O	123
+C1OCC1(C)COc2ccc(Cl)cc2C=C3c4c(cc(cc4)Cl)NC3=O	1495
+C1CC(CCC1N(C2COC2)C3CC3)CO	44
+C1OCC1N(C)Cc2n(C)nc(c2)NC3=CC(=CN(C)C3=O)Br	523
+C1C(CO1)N(Cc2n(nc(N)c2)C)C	161
+OB(O)C1=CN(C)C(C(Nc2nn3CCN(Cc3c2)C4COC4)=C1)=O	3628
+OCC1N(C(=O)C2N(C(=O)CN3CCCC3=O)CCC2)CCC1	88
+C1C(Cc2cc(OC)ccc2C1)N(C)CCCN	51
+c1c2c(CC(N(CCCNC(=O)Cc3cc(OC)c(OC)cc3[N+]([O-])=O)C)CC2)cc(c1)OC	9
+C1c2c(nc(C(=O)OCC)s2)CC1	6150
+N(c1cc2c(C=3C(CN(C)CC=3)F)c[nH]c2cc1)C(c4sccc4)=N	1139
+C1C(F)C(c2c3cc(N)ccc3[nH]c2)=CCN1C	0
+CC(C)(C)OC(N1CCCC2C1CN(C2)c3c(cc4C(=O)C(=CN(C5C(F)C5)c4c3Cl)C(O)=O)F)=O	34
+c1cc(ccc1)CC(=O)C=CC2CCC(N2CCCCCl)=O	1278
+CC(C)(C)OC(N1CCC(CC1)(N2CCC(CC2)NC3CCCCC3N)C)=O	87
+FC(F)(F)c1cc(OC)c(c(c1)SC)C(NC2C(CCCC2)N)=O	14
+FC(F)(F)c1cc(c(C(=O)NC2C(N)CCCC2)cc1)C3CC3	14
+CC(C)(C)OC(=O)NC1C(N)COC1	3629
+s1c2c(c(ncc2C#N)NC3C(NC(C)CC3)C)cc1Br	2500
+FC(F)(F)c1c(ccc(NC2CCCC(C2)N)c1)C#N	60
+n1c(Cl)ncc(F)c1NC2CC(N)CC(C)C2	40
+c1cc(ccc1Cl)-c2nc(c(C(NC3CCCN(c4cc(OCC(OC)=O)ccc4)C3)=O)s2)C	454
+C1CCC(C1)CCC(Nc2c(ccc3nc(ccc23)N4CCC(C4)N)Cl)=O	286
+O=S(=O)(c1ccc(cc1)NC2CCNC2)C	60
+c1cc(ccc1N2CCC(N)C2)C(OC)=O	34
+c12c(C(=O)N(C1=O)C3CCCNC3)cccc2	672
+n1c(N2CCCC(N)C2)c3CCCCc3nc1Cl	54
+C1CC1Cc2nc(ncc2-c3nc(NC4COCCC4)ncc3)N	306
+c1(NC2CCCOC2)c3c(ccs3)ncc1[N+](=O)[O-]	1972
+O=C(NC1CCCOC1)c2cc3nonc3cc2	93
+c1(F)c(F)c(c(c(F)c1C(=O)CC(=O)OCC)F)N2CCC(NC(=O)C)C2	34
+C(C)(=O)NC1CN(CC1)c2ccc([N+]([O-])=O)c(-n3ccnc3)c2	34
+c1cc(ccc1[N+]([O-])=O)N2CCC(NC(C)=O)C2	34
+C1CC1N2C=C(C(c3cc(F)c(N4CCCC(NC(C)=O)C4)c(F)c23)=O)C(O)=O	34
+N#Cc1c(C(=O)NC2CCNCC2C)[nH]c(C)c1Cl	1574
+FC(F)(F)c1c(Nc2cc(F)c(cc2)CNC(C3(NC(=O)c4cc(cnc4)N)CCOC3)=O)ccc(OC)c1	9
+FC(F)(F)c1c(Nc2ccc(cc2)CNC(=O)C3(CCOC3)NC(=O)c4cc(cnc4)N)ccc(OC)c1	9
+FC(F)(F)c1cc(OC)ccc1Nc2cc(c(nc2)CNC(=O)C3(COCC3)NC(=O)c4cc(cnc4)N)F	9
+C1CCCN1CCN2C(c3c(C)c(C=C4C(Nc5c4cc(F)c(N)c5)=O)[nH]c3CC2)=O	292
+C1COCCN1CC(O)CN2CCc3c(C2=O)c(c([nH]3)C=C4c5cc(c(cc5NC4=O)NC(=O)CO)F)C	292
+C1C(Nc2c1cc(c(NC(=O)CO)c2)F)=O	948
+COc1ccc2C(C(=O)Nc2c1)C	2528
+c1c2c(ccc1OC)C(C(=O)N2)=Cc3c(CCCO)c4c([nH]3)CCCCC4	292
+c1cc2CC(=O)N(c2cc1F)C(=O)C	1948
+c1ccccc1COC2CC(O)CCC2	149
+C1OC(CCC1)OC2CC(CC2)CI	219
+CC(C)(C)[Si](C)(C)OCC1CCC(O)C1	19
+C12CC3(CC(CC(C1)C3)C2OC(=O)N4CCC(O)C4)O	3630
+C1C2CC3CC1CC(C2)(C3)CC(Nc4c(C)ccc5nc(N6CC(O)CC6)ccc45)=O	286
+C1CC(CCC1)CC(Nc2c3c(ccc2C)nc(N4CC(O)CC4)cc3)=O	286
+C1CC(CCC1)CC(=O)Nc2c(ccc3c2ccc(n3)N4CC(O)CC4)Cl	286
+c1cc(ccc1Cl)C2(CC2)C(N3CCC(O)C3)=O	10
+CC(C)(C)OC(=O)Nc1ncc(cc1)CN2CC(CC2)O	619
+CC(C)(C)OC(N1CC(CC1)O)=O	23
+CC(C)(C)c1nc(N2CCC(C2)O)c3c(n(Cc4ccc(cc4)OC)nc3)n1	1577
+CC(C)Oc1ccc(S(=O)(=O)C)cc1C(N2CC(O)CC2)=O	30
+C[Si](C)(C)CCOCn1c2c(ccc(N3CC(CC3)O)c2)c(C(Nc4cn(nc4)Cc5cccc(c5)C#N)=O)n1	1578
+Clc1cc(-c2cc3[nH]c(NC(c4nc5cccc(N6CC(CC6)O)n5c4)=O)nc3cc2)cc(c1)F	6151
+c1c(ncc(c1)N2CC(CC2)O)C#N	3631
+FC(F)(C(F)(F)Cl)c1ccc(cc1)NC(c2cc(Br)c(N3CC(O)CC3)nc2)=O	43
+FC(F)(F)Oc1ccc(cc1)NC(c2cc(Br)c(N3CC(O)CC3)cc2)=O	34
+Clc1c2c(nccc2)c(c(c1)C(=O)N(OC)C)N3CC(CC3)O	1563
+FC(F)(F)c1c(c(N2CC(O)CC2)ccc1)C=O	34
+FC(F)(F)c1ccc(N2CC(O)CC2)nc1	43
+C1CN(CC1O)c2nc3ccc(Cl)c(N)c3cc2	286
+O=C(CNC(c1ccc(c(Cl)c1)Cl)=O)N2CCC(O)C2	10
+C1CC1C(=O)c2cnc3c(c2NC4CCC(CC4)CN5CC(O)CC5)cc(cc3)Br	123
+C1CN(CC1O)c2ccc([N+]([O-])=O)cc2F	34
+c1(C(=O)N2CC(CC2)O)cc3nccc(Cl)c3s1	867
+c1(CN2CCC(O)C2)cc(ccc1)OC	48
+c1cc(N2CC(CC2)O)ncc1Br	6152
+c1cc(N2CC(CC2)O)ncc1Br	323
+c1cc(ccc1)COC=2C=CN(C(=O)C=2)c3ccc(N4CC(O)CC4)nc3	361
+c1cc(ccc1S(=O)(=O)N2CC(O)CC2)C#N	92
+c1cc(ccc1I)C(N2CC(O)CC2)=O	115
+c1cc(ccc1Cc2[nH]c3ccccc3n2)C(=O)N4CCC(O)C4	30
+c1cc(ccc1OC(F)(F)C)NC(c2cc(Br)c(N3CC(O)CC3)nc2)=O	43
+C1CN(CC1O)c2ccc(cn2)C(=O)N	43
+c1cc(ccc1)CN2CC(O)CC2	48
+c1ccccc1NC(c2cc(ccn2)N3CC(O)CC3)=O	1465
+c12nnc(n1cc(cc2)F)N3CC(CC3)O	3632
+C1CC(CCN1c2ccc([N+](=O)[O-])c(OC)c2)N3CC(CCC3)O	85
+C1CCC(C1)n2cnc3c(nc(N4CC(CCC4)O)nc23)Nc5ccc6CCCc6c5	117
+C1CCC(C1)n2cnc3c(nc(nc23)N4CCCC(C4)O)NCc5cc(OC)c(cc5)OC	117
+FC(F)(F)c1ccc(c([N+](=O)[O-])c1)N2CC(O)CCC2	34
+c1c(cc2c(nc(N3CC(CCC3)O)s2)c1)Br	1912
+C1OC(n2c3cc(c(cc3nc2Br)F)F)C(OC(C)=O)C(O)C1OC(=O)C	59
+c1cc(ccc1)N2CCN(CC2)C(=O)C3C(C(OC)=O)CC(CN3)OC	10
+FC(F)(F)S(=O)(=O)c1ccc(cc1)-n2ccc(c2)C=O	6153
+C1CN(CCN1c2ncccc2COC)CC3Oc4ccccc4OC3	28
+CC(C)(C)c1c(C2CCN(CC2)C(C3SCCC3)=O)cccc1	10
+c1(cccnc1C2CCCC(c3c(cccn3)C)N2)C	1571
+CN(C)c1nccc(-c2c(nc3n2cccc3)CN(C4CCCc5c4nccc5)C)c1	879
+C(N(C)C1c2c(CCC1)cccn2)c3nc4cccc(F)n4c3	879
+c12n(c(cc1c3c(C(NC3=O)=O)c(-c4ccccc4Cl)c2)C=O)CCCOC	3633
+CN(C)C=C1C(c2c(C(C1)c3c(F)cccc3)cccc2)=O	6154
+C1CC(CCC1CCCCC)c2cccc(F)c2F	191
+C1(=O)c2ccccc2C(=O)N1C3CCC(c4cnccc4)C3	1579
+c1cc(ccc1C(=O)C2C(=O)c3c(C2)scc3)Br	6155
+O=S(=O)(c1c(F)cc(c(F)c1)OC2C(c3n(ncc3)CC)CCC2)N(c4ccncn4)Cc5ccc(cc5OC)OC	57
+O=S(=O)(Nc1scc(C=2CCCC3(CC(N(Cc4cc(OC)ccc4)C=23)=O)C)n1)c5ccc(c(F)c5)F	1140
+C1C2(C(N(C(=O)C2)Cc3cc(ccc3)OC)=C(CC1)c4csc(N)n4)C	6156
+C1C2(CC1(C2)NC(C)=O)OC(C)=O	68
+C1C2(CC1(C2)NC(C)=O)O	59
+C1C2(CC1)c3c(NCC2)cccc3F	15
+C1C2(CC1)CNC(c3n2c4cc(C(=O)Nc5ccc(F)c([N+]([O-])=O)c5)ccc4c3)=O	67
+C1C2(CC1)CNC(c3n2c4cc(C(Nc5cc(c(F)cc5)N)=O)ccc4c3)=O	0
+C1C2(CC1)CNC(c3cc4c(cc(C(=O)O)cc4)n23)=O	6
+C1C2(CC1)S(=O)(=O)CC(NC2=N)(c3cc(ccc3F)N)C	0
+O=S1(=O)C2(CCC2)C(NC(c3c(F)cccc3)(C1)C)=N	562
+C1C2(CC1)C(=N)NC(CS2(=O)=O)(c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F)C	187
+C1CN(CCC12CC3(C2)Cc4cc(C=5CCN(S(=O)(=O)C)CC=5)ncc4O3)c6nc(no6)CCC	880
+C1C2(CC1C2)NC(=O)c3nc(nc(N4CCC(CC4)c5n[nH]c6ncccc56)c3)OCC7CC7C#N	482
+C1C2(CC1C2)Nc3ncc(C(N)=O)c(SC)n3	2529
+C1C2(CC1C2)Nc3ncc(C(=O)N)c(S(=O)C)n3	3634
+C1C2(CC1C2)Nc3nc(SC)c(C#N)cn3	3635
+C1CN(CCC1C(=O)OCC)C2CC3(C2)CCN(C(OCC)=O)C3	66
+c1ccccc1C(N2CC3(CN(C3)C(NCc4ccc(cc4Cl)Cl)=O)C2)=O	115
+C1C2(CN1C(OCC)=O)Oc3ccc(cc3C(=O)C2)C=CC(O)=O	127
+C1C2(CN1C(OCC)=O)Oc3ccc(cc3C(=O)C2)C=CC(=O)NO	792
+C1C2(CN1C(OCC)=O)Oc3ccc(C=CC(NOC4OCCCC4)=O)cc3C(=O)C2	793
+C1C2(CN1c3cc(OC)c(Nc4nc(ccn4)-c5cnn6c5CCCC6)cc3N)CCCN2C	0
+C1CN(CCC12CN(C2)c3nc4ncccc4c(Nc5cc(n[nH]5)C)n3)C(=O)C	58
+N1(C(C2CC2(C=O)C1)=O)Cc3ccc(cc3OC)OC	24
+C1C2(CC1(n3cc(-c4nc(-c5cnn(C)c5)cc6nccn46)cn3)CC#N)COC2	2525
+CC(C)(C)c1nc(c2cc[nH]c2n1)N3CC4(C3)COC4	778
+C1N(CC12COC2)c3ccc(cc3)I	560
+O=S1(=O)CC2(CC(C2)Nc3c([N+](=O)[O-])cc(cc3)Cl)C1	60
+C1C(CNCC)(CCCN1C(=O)OC)O	122
+COc1cc2CCC3=C(CCC4(CC)C3CCC4=O)c2cc1	6157
+FC(F)(F)c1nc(C(=O)NCC2N(C(c3nc(C)sc3-c4cccc(C)c4)=O)CC5CC(CC25)C)ccc1	81
+C1C2C(CC(C)C2)C(N1C(=O)c3nc(C)sc3-c4cc(C)ccc4)CNC(c5ccnc(C)c5)=O	14
+C1C(C(O)CC1)c2ccnn2C	6158
+C1C2C(CC1COc3cc4c(cc3OC)c(ccn4)Oc5c(cc(cc5)N)F)CN(C2)C	0
+C1C2CC(CC2CN1C(CC#N)=O)Nc3c(cnc(Nc4ccc5c(C)n(C)nc5c4)n3)Cl	10
+C1CN(CCN1c2c(OC3CCCC3)ccc(c2)F)CCCN4C(=O)C5C(CCC(C5)O)C4=O	3636
+C(C)(NCC1(CCC2CCC1C2)NC(C)=O)=O	6159
+C12C(CN(C1)c3nc(N)ccc3)C2	361
+c1cc(ccc1-c2n(cc(C(=O)N3CC4C(C3)C4)c2C)C)Cl	211
+C1C2C(CN1CCCc3c(C)c4c(ccc(c4)F)[nH]3)C2(c5cccc(NS(=O)(=O)C)c5)C	15
+C1C2CNCC2CN1C(=O)c3c(cc(OC)cc3)-n4nccn4	25
+CN(C)C(N1CC2C(CC(C2)C#N)C1)=O	881
+c1cc(ccc1)COC(=O)N2CC3C(CC(C3)(c4ccccc4)O)C2	251
+C12C(CN(C1)CC=C)C2(c3cccc(NS(=O)(=O)C)c3)C	80
+C1C2C(CN1c3cccc(Nc4cc(nn5ccnc45)-c6cc(ccc6)C(=O)O)n3)C2	1
+c1cc(I)c2c(CC3C(C2)OCCN3C)c1OC	184
+C1C2C(Cc3cccc(OC)c13)OCCN2	15
+c1ccccc1COC(N2CCOC3Cc4cccc(c4CC23)OC)=O	66
+C1CC(C2(C)CCC3C(C12)CCc4cc(O)ccc34)=C	6160
+C12CC(CC(CCC1)N2C(=O)c3cc4CN(CCn4n3)C(NCc5cc(Cl)cc(c5)Cl)=O)C(O)=O	3
+C1C2CC(CC(CC1)N2C(=O)c3cc4CN(CCn4n3)C(NCc5cc(Cl)cc(c5)Cl)=O)C(OCC)=O	1893
+C12C(CC(C1)OC(NC(C)C)=O)CC(C2)NCC(=O)N3C(C#N)CCC3	6161
+C1C2C(CN1C(N(C)C)=O)CC(C2)C#[N+]CS(=O)(=O)c3ccc(cc3)C	1141
+c1c2ncn(c2ccc1)C=3C4(C)CCC5C6(C)C(CCC5C4CC=3C=O)CC(CC6)OC(=O)C	6162
+C1C2(CC1C2)NC(=O)c3cc(nc(Cl)n3)N4CCC(CC4)c5n[nH]c6ncccc56	81
+C1C2(CC1C2)Nc3ncc(c(n3)SC)Br	96
+C1C2CC1(C2)NC(=O)c3c(F)ccc(-c4cc5c(c(-c6ccc(cc6)F)oc5cc4CC(=O)OC)C(=O)NC)c3	14
+C1C2CC1(C2)NC(c3c(ccc(-c4cc5c(C(NC)=O)c(-c6ccc(cc6)F)oc5nc4Cl)c3)F)=O	14
+C1C2CC1(C2)NC(=O)c3c(F)ccc(c3)-c4cc5c(cc4CC(O)=O)oc(-c6ccc(cc6)F)c5C(=O)NC	4
+C1C2CC1(C2)NC(=O)c3c(ccc(c3)-c4c(CC(=O)N)cc5c(c(C(=O)NC)c(-c6ccc(cc6)F)o5)c4)F	83
+CC(C)(C)OC(N1CC2CC1CN2c3cc(nc(n3)N4CC5CC4C5)-c6cnc(N)c(c6)C(F)(F)F)=O	117
+C1C2CC1N(C2)C(=O)c3ccc(c(F)c3)Oc4cc(cc(c4)OC(C)CO)C(=O)Nc5nn(C)cc5	30
+Clc1cnc(cc1)C(Nc2ccc(c(c2)C34NC(COCC3C4)=S)F)=O	187
+Cc1nc(C(N2CC3C(C2CNC(=O)c4c5C=CCOc5ccc4)C3)=O)c(s1)-c6cccc(c6)C	14
+c1ccc2OCCCc2c1C(NCC3C4C(CN3C(c5nc(C)sc5-c6cccc(c6)C)=O)C4)=O	14
+C1C2CC3(CC(CC1(C(O)C)C3)C2)O	100
+CC(C)(C)OC(=O)NC12CC3CC(CC(C1)C3)(O)C2	37
+C12CC3(CC(CC(C1)(NC(=O)c4cccc(Cl)c4)C3)C2)CO	95
+C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O	6163
+C1C2CC3CC(CC1(C(OC)=O)C3)C2N	316
+C1C2CC3(CC(CC1C3)C2O)O	100
+C1C2CC3CC(CC1(C3)CO)C2N	95
+CC(C)(C)OC(=O)NC12CC3CC(CC(C1)C3=O)C2	37
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)C2O)=O	37
+C1C2CC3CC(CC1C3(CO)C#N)C2	95
+C1C2CC3CC(CC1C3)C2(CO)CCOC	95
+C1C2CC3CC(CC1C3)C2(C#N)COc4cc(F)c(cc4Cl)C(OC(C)(C)C)=O	57
+C1C2CC3CC(CC1C3)C2(COc4cc(c(C(OC(C)(C)C)=O)cc4C5CC5)F)C#N	2530
+C1C2CC3CC(CC1C3)C2(COc4c(cc(C(NS(=O)(=O)C)=O)c(F)c4)C5CC5)C#N	258
+C1C2CC3CC(CC1C3)C2(COc4cc(F)c(cc4C5CC5)C(=O)O)C#N	153
+C1C2CC3CC(CC1C3)C2(O)CN	51
+C1C2CC3CC(CC1C3)C2(O)C#N	3637
+C1C2CC3CC(CC1C3)C2C#[N+]CS(=O)(=O)c4ccc(cc4)C	1141
+C1C2CC3CC(CC1C3)C2C#N	881
+C1C2CC3CC(CC1C3)C2NC(=O)c4c(n(-c5ccc(cc5)C(OC)=O)nc4)SC6CCCC6	597
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)CC(C(C(OCC)=O)C)c6c5c(ccc6)Br	1132
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)CC(=CC(=O)OCC)c6cccc(Br)c56	1132
+C1C2CC3CC(CC1C3)C2NC(c4cnn(c4Cl)C(C)(C)C)=O	597
+C1C2CC3CC(CC1C3N=C=O)C2	6164
+C1C2CC3CC(CC1C3)C2NC(N4c5c(OCC4)cccc5)=O	3638
+C1C2CC3CC(CC1C3)C2NC(c4c(n(C)nc4)Cl)=O	597
+C1C2CC3CC(CC1C3)C2NC(c4cccc(Br)n4)=O	81
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)CC(c6cccc(Br)c56)CC(OCC)=O	6165
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)c6c(cccc6C(C(C)C(O)=O)C5)Br	3
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)CC(c6cccc(Br)c56)CCO	44
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)c6c(C(CCOS(=O)(=O)c7ccc(cc7)C)C5)cccc6Br	36
+C1C2CC3CC(CC1C3)C2NC(=O)c4c(n(-c5ccc(cc5)C(=O)O)nc4)SC6CCCC6	1
+C1C2CC3CC(CC1C3)C2NC(c4cccc(N5CCN(CC5)C(OC(C)(C)C)=O)n4)=O	323
+C1C2CC3CC(CC1C3)C2NC(=O)c4nc(ccc4)N5CCNCC5	2
+C1C2CC3CC(CC1C3)C2NC(=O)c4c(n(nc4)C(C)(C)C)N5CCCC5	959
+C1C2CC3CC(CC1C3)C2NC(c4nc(N5CCN(CC5)CCC(=O)N)ccc4)=O	327
+C1C2CC3CC(CC1C3)C2OC(=O)N4CCC(CC4)(COCC(=O)O)c5ccccc5	4
+C1C2CC3CC(CC1C3)C2OC(N4CCC(CC4)(CO)c5ccccc5)=O	88
+C1C2CC3CC(CC1C3)C2OC(N4CCC(CC4)(COC)c5ccccc5)=O	21
+C1C2CC3CC(CC1C3C(=O)OC)C2	27
+C1C2CC3CC(CC1C3N(CC(COc4ccccc4C(NCc5ccc(cc5)C6(N=N6)C(F)(F)F)=O)O)C)C2	14
+C1C2CC3CC(CC1C3N(C)CC(COc4ccccc4C(O)=O)O)C2	1
+C1C2CC3CC(CC1C3NC(N4CCC5(CC4)OCc6ccccc56)=O)C2	384
+C1C2CC3CC(CC1C3N(CC(O)COc4c(cccc4)C(=O)OC)C)C2	170
+C1C2CC3CC(CC1C3)C2OC(N4CCC(CC4)(c5ccccc5)C(=O)OC)=O	66
+C1C2CC3CC(CC1C3OC(NC(C(=O)OC)(Cc4ccc(cc4)O)C)=O)C2	544
+C1C2CC3CC(CC1C3OC(NC(C(=O)OC)(Cc4ccc(cc4)OC)C)=O)C2	65
+C1C2CC3CC(CC1C3OC(NC(C)(C(=O)O)Cc4ccc(cc4)OC)=O)C2	4
+C1C2CC3CC1CC(C2)(C3)C(O)CNc4ncnc5c4CCN(Cc6ccccc6)C5	40
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4c5ccc(nc5ccc4C)Cl	26
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4c5c(ccc4)C(OC=C5)=O	26
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4cccc5nc(ccc45)Cl	26
+C1C2CC3CC1CC(C2)(C3)CCOCCOCCO	481
+C1C2CC3CC1(CC(C2)C3)CCN(C(=O)NCCCc4cc[n+](cc4)[O-])CCCCC	103
+C1C2CC3CC1(CC(C2)C3)CCN(C(=O)NCCCc4ccncc4)CCCCC	1132
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4cccc(N)n4	81
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(N)nn(-c5ncccn5)c4	597
+C1C2CC3CC1CC(C2)(C3)COS(=O)(=O)C	7
+C1C2CC3CC1(CC(C2)C3)COc4ccc(C#N)cc4Br	57
+C1C2CC3CC1CC(C2)(C3)COc4ccc(C#N)cc4C5(CCC5)O	251
+C1C2CC3CC1CC(C2)(C3)COc4ccc(C#N)cc4-c5cccnc5OC	305
+C1C2CC3CC1CC(C2)(C3)n4nnc(CSc5c(ccc(Cl)c5)Cl)c4	642
+C1C2CC3CC1CC(C2)(C3)NC(N4CC5(C4)CCN5S(=O)(=O)c6ccc(cc6)Cl)=O	92
+C1C2CC3CC1(CC(C2)C3)NCc4ccc(cc4)C=CC(=O)Nc5ccccc5N	1313
+C1C2CC3CC1(CC(C2)C3)NCc4ccc(cc4)C=CC(=O)O	127
+C1C2CC3CC1CC(C2)(C3)c4c(O)cc(c(c4)Br)C	957
+C1C2CC3CC1CC(C2)(C3)OCc4cc(F)c(cc4Cl)Br	1476
+C12CC3CC(C1)CC(C2)(C3)c4cc(Br)cc(C(c5ccccc5)=O)c4O	957
+C1C2CC3CC1CC(C2)(C3)c4cc(ccc4O)Br	957
+C1C2CC3CC1(CC(C2)C3)c4cc(cc(C(=O)c5ccccc5)c4O)-c6cccc(C=O)c6	241
+C12CC3CC(C1)CC(C2)(C3)c4cc(-c5cc(C=O)ccc5)cc(F)c4O	186
+C1C2CC3CC1(CC(C2)C3)c4c(ccc(c4)C#Cc5ccc(cc5)C(=O)N)OCOCCOC	1580
+C1C2CC3CC1(CC(C2)C3)c4c(ccc(c4)C#Cc5ccc(cc5)C(=O)Cl)OCOCCOC	82
+C12CC3CC(C1)CC(C2)(C3)c4ccc(c(C)c4)OCC(=O)OCC	1845
+C1C2CC3(CC(CC1(C(=O)C)C3)C2)O	6166
+C1C2CC3CC1CC(C2)(C3)C(O)CNc4ncnc5CN(CCc45)C(C6N(C(=O)OC(C)(C)C)CCC6)=O	10
+C1C2CC3CC1CC(C2)(C3)C(O)CNc4ncnc5CN(CCc45)C(C(Cc6ccccc6)NC(OC(C)(C)C)=O)=O	10
+C12CC3(CC(C1)CC(C3)C2)C(Nc4ccc(cc4[N+]([O-])=O)S(=O)(=O)NC(c5ccc(cc5)-c6ccc(cc6)F)=O)=O	26
+C1C2CC3CC1CC(C2)(C3)C(Nc4cc5c(nc(s5)NC(C)=O)cc4)=O	1973
+C1C2CC3CC1CC(C2)(C3)C(O)CNc4ncnc5CN(C(=O)C(Cc6ccccc6)N)CCc45	84
+C1C2CC3CC1CC(C2)(C3)C(CNc4c5c(ncn4)CNCC5)O	25
+C1C2CC3CC1CC(C2)(C3)CC(Nc4c5CCN(C(=O)c5ccc4)CCO)=O	6167
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4cccc5c4C=CN(C(CO)C(C)C)C5=O	1892
+C12CC3(CC(C1)CC(C3)C2)CC(Nc4c5c(nc(cc5)CCCN(C(OC(C)(C)C)=O)CCCO)ccc4)=O	587
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4c5ccc(nc5ccc4)C#CCN(C(=O)OC(C)(C)C)CCCO	6168
+C1C2CC3CC1CC(C2)(C3)CC(Nc4c(C)ccc5nc(N6CC(CC6)OS(=O)(=O)C)ccc45)=O	7
+C1C2CC3CC1CC(C2)(C3)CCOCCOCCOS(=O)(=O)C	7
+C1C2CC3CC1CC(C2)(C3)CCOCCOCCN=[N+]=[N-]	133
+C1C2CC3CC1CC(C2)(C3)COc4cc(F)c(C#N)cc4Br	262
+C1C2CC3CC1CC(C2)(C3)COc4cc(F)c(C(NS(=O)(=O)N5CCC(OCc6ccc(cc6)OC)C5)=O)cc4Cl	258
+C1C2CC3CC1CC(C2)(C3)COc4cc(F)c(cc4Cl)C(=O)NS(=O)(=O)N5CCC(O)C5	1974
+C1C2CC3CC1CC(C2)(C3)COc4ccc(cc4-c5cccnc5OC)C(=O)N	216
+C1C2CC3CC1CC(C2)(C3)COc4c(cc(cc4)C#N)C5CCC5	564
+C1C2CC3CC1CC(C2)(C3)OCCOCCOCCOCCOCCCCN=[N+]=[N-]	967
+C1C2CC3CC1CC(C2)(C3)OCCOCCOCCOCCOCCCCN	18
+C12CC3CC(C1)CC(C2)(C3)OCCOCCOCCOCCOCCOS(=O)(=O)C	7
+C1C2CC3CC1CC(C2)(C3)c4c(OCc5ccccc5)cc(C)c(Br)c4	22
+C1C2CC3CC1CC(C2)(C3)c4cc(ccc4OC(C)C)CCN(C)C(C(F)(F)F)=O	782
+C1C2CC3CC1CC(C2)(C3)c4c(OCc5ccccc5)cc(c(B(O)O)c4)C	281
+C1C2CC3CC1CC(C2)(C3)c4c(ccc(c4)CC[N+](=O)[O-])OC(C)C	364
+C1C2CC3CC1CC(C2)(C3)c4c(ccc(C=C[N+]([O-])=O)c4)OC(C)C	417
+C1C2CC3CC1CC(C2)(C3)c4cc(CCN)ccc4OC(C)C	157
+C1C2CC3CC1CC(C2)(C3)c4c(OC(C)C)ccc(CCNC(C(F)(F)F)=O)c4	659
+C1C2CC3CC1CC(C2)(C3)c4cc(ccc4O[Si](C)(C)C(C)(C)C)Br	154
+C1C2CC3CC1CC(C2)(C3)c4c(ccc(CCNC)c4)OC(C)C	318
+C1C2CC3CC1CC(C2)(C3)c4ccc(cc4)NC(=O)OC(C)(C)C	673
+C1C2CC3CC1CC(C2)(C3)c4ccc(cc4)NC(C(OCC)=O)=O	994
+C1C2CC3CC1CC(C2)(C3)c4ccc(cc4)N	78
+C1C2CC3CC1CC(C2)(C3)c4ccc(cc4)NC(=O)C(O)=O	1581
+C1C2CC3CC1CC(C2)(C3)n4nnc(CS(=O)(=O)c5c(Cl)ccc(Cl)c5)c4	6169
+C1C2CC3CC1CC(C2)(C3)n4nnc(CS(=O)c5c(Cl)ccc(c5)Cl)c4	357
+C1C2CCC(CC1N)N2Cc3ccccc3	733
+C1C2CCC(CC1C#[N+]CS(=O)(=O)c3ccc(cc3)C)S2	1141
+C12CCC(CC(C1)C#N)S2	881
+C1CC2CC(CC1N2Cc3ccccc3)NC(=O)C(C)C	68
+Clc1cc(cc(Cl)c1)COC(N2C3CCC2CC(C3)NC(CCCc4cnn[nH]4)=O)=O	66
+C1CC2CC(CC1N2c3nc(nc4c3c(-c5ccccc5)cs4)N6CC(CC6)C(=O)N)=O	86
+C1C2CCC(CC1c3n4c(c(c(-c5ccncc5)n4)I)ncc3)N2CC	183
+CC(C)(C)OC(=O)Nc1ccc(cc1OC)-c2c(-c3ccncc3)nn4c2nccc4C5CC6CCC(C5)N6CC	6170
+C1CC2CC(CC1N2C(OCC)=O)n3cc(cn3)-c4cnc(N)c(c4)-c5sc6ccccc6n5	1142
+C1C2CCC(CC1n3ncc(-c4cnc(N)c(c4)-c5sc6ccccc6n5)c3)N2C	3639
+c1cc(ccc1-c2nc3n(C4CCCCO4)ncc3c(N5CC6CCC(C5)O6)n2)NC(=O)C	345
+C1C2CCC(CN1c3nc(N4CCC(CC4)=O)nc(-c5ccc(cc5)N)n3)O2	1582
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3nc(Cl)nc(N4CC5CCC(C4)O5)c3cn2	3614
+C1C2CCC(CN1c3c4c(n(nc4)C5CCCCO5)nc(Cl)n3)O2	1846
+C1C2CCC(CN1c3nc(nc(NC(C)C)c3)-c4ccc(cc4)N)O2	0
+C1C2CCC(CN1c3nc(nc(NC(C)C)c3)-c4ccc(cc4)[N+](=O)[O-])O2	40
+C12CN(CC(CC1)O2)c3cc(Cl)nc(I)n3	2531
+C1C2CCC(CN1c3ccnc(n3)Nc4cnn(C)c4)N2C(NCC#N)=O	3640
+CC(C)(C)c1ccc(cc1)NC(N2C3CN(CC2CC3)c4ncccc4Cl)=O	326
+O=S(=O)(c1ccc(cc1)Cl)N2C3CCCC2CC(C3)=O	92
+C1C2CCCC(CC1C(OC)=O)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O	91
+C12CC(CC(CCC1)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O)C(=O)O	4
+FC(F)(F)CN1CCCN(CC1)c2ccc3N4CC(N(c3n2)C(=O)Nc5ccncn5)CCC4	2532
+C1C2CN(CC(CN1C(=O)NCC)C2)CCNC(Cn3c(-c4ccc(cc4)C#N)c(cn3)-c5ccc(cc5)C#N)=O	28
+C1C2CN(CC(CN1C(=O)Nc3ccccc3)C2)Cc4ccccc4	326
+C1C2CNCC(CN1C(Nc3ccccc3)=O)C2	25
+C1CCCCC1CC2(CC3C(C2)CN(C3)C(N(C)C)=O)C=O	6171
+C12CN(CC(CN(C1)C(=O)Nc3ccccc3)C2)CC(O)COc4cccc5c4cc(C#N)[nH]5	170
+c1cc(ccc1CN2CC3CN(CC(C2)O3)CCN(S(=O)(=O)C)CCOc4ccc(cc4)C#N)F	131
+C1C2C(CC1COc3cc4c(c(ccn4)Oc5c(cc(cc5)[N+]([O-])=O)F)cc3OC)CN(C2)C	113
+C1C2CN(CC2CN1c3cc(N(C)C)ncn3)C(=O)c4c(cc(OC)cc4)-n5nccn5	54
+C12C(CN(C1)c3nc(C)c(cn3)F)CN(C2)C(=O)c4c(cc(OC)cc4)-n5nccn5	117
+C1C2CN(CC2CN1C(c3c(-c4nnc[nH]4)cccc3)=O)c5nc(C)c(c(C)n5)C	117
+C1C2C(CN1C(=O)c3c(cc(OC)cc3)-n4nccn4)CN(C2)Cc5ccccc5	30
+CC(C)(C)OC(N1CCC2C(c3c(scc3)C2)C1)=O	23
+CC(C)(C)OC(N1CCC2Cc3c(C2C1)scc3)=O	23
+C(CN1CCC2N3c4c(C2C1)cc(-c5c(c(Cl)ccc5)Cl)cc4CCC3)C	28
+FC(F)(F)C(N1CC2c3c(C(C1)C2)cccc3)=O	520
+N(C=O)c1scc(C(=NOCc2ccon2)C(=O)NC3C(N4C3SCC=C4C(=O)O)=O)n1	471
+N(C=O)c1scc(C(=NOCCOCC)C(=O)NC2C(N3C2SCC=C3C(=O)O)=O)n1	471
+Nc1c(NC(=O)N(C)CCC)cc(cc1)C=2CCCC=2	0
+c12c(CCCCN1C(=O)C)cc(OCC3=CCN(C)CC3)c(Br)c2	3641
+C1N(CC=C(COc2ccccc2I)C1)C	3641
+c1ccccc1COC(=O)Nc2cc(F)c(C=3CCSCC=3)cc2	90
+O=S(=O)(C)OCC1CN(c2ccc(c(c2)F)C3=CCSCC3)C(=O)O1	7
+C1CC(=CCN)c2c1cnc3OCCc23	3642
+C=1(CCN(c2c(cc(-c3cc(c(cc3)OCC)F)cc2)C=1)C=O)C(=O)OC	6172
+O=S(=O)(ON=C1CCc2ccccc12)c3ccc(cc3)C	3643
+C1C(C(=C(C1)OCC)Br)=O	6173
+FC(F)c1cccc(NC2=CC(CC2)=O)c1	6174
+c1cc(ccc1CBr)OCC2(CCCCC2)C	29
+C1CC(CCC1)C(NC(c2c(CBr)c(nc3ccc(F)cc23)-c4ccccc4)=O)C	223
+C1CC(CCC1)C(NC(c2c(c(nc3cc(Cl)ccc23)-c4ccccc4)CBr)=O)C	223
+C1CC(CCC1)CCCCCCBr	552
+C1CC(CCC1)CN2C(C(=CC(C(OC)=O)=C2CBr)Br)=O	1093
+C1CC(CCC1)CN2C(C(=CC(C(=O)OC)=C2C)Br)=O	3644
+C1CC(CCC1)NS(=O)(=O)c2ccc(CBr)c3c2cccc3	29
+C1CC2(OCCO2)CCC1(C#N)c3ncc(Br)s3	617
+C1CC(CCC1C(=O)OCCCC)C(O)(c2ncc(Br)s2)C	617
+C1CC(CCC1N2C(=O)C(Br)=Cc3c(C)nc(nc23)N)OC	3645
+C1CC(CCC1O)N2C(=O)C(Br)=Cc3c(C)nc(nc23)N	3645
+C1CC(CCN1)(C2Cc3cc(Br)cc(F)c3O2)O	38
+C1CC(CCO1)CNC(c2cnc(-n3ncc(c3OC)Br)cc2)=O	3515
+C1CC(CCO1)CNc2ccc(c(n2)-c3c(cnc(F)c3)Cl)Br	203
+C1CC(CCO1)CNc2nc(-c3cc(F)ncc3Cl)c(nc2)Br	439
+C1CC1C(O)(c2cccc(Br)c2O)C	38
+C1CC1C(N2C(C)CCc3c2ccc(c3O)Br)=O	38
+C1CC1CCNc2nc3c(nc(Br)n3C4OCCCC4)c(n2)N	995
+C1CCCC1(c2cc(c(N)c(c2)OCC3CC3)Br)C(=O)OCC	38
+C1CC1NS(=O)(=O)c2c(n(c(Br)c2)CC3CCCCC3)C	653
+c1cc(ccc1-c2cnc(c(Br)c2)N)S(=O)(=O)NC3CC3	203
+C1CC2CCC(=O)N2CC1c3n4ccnc(Cl)c4c(Br)n3	794
+C1CC2CCOC(=O)N2CC1c3n4ccnc(Cl)c4c(Br)n3	794
+C1CC2COCC(=O)N2CC1c3n4ccnc(Cl)c4c(Br)n3	794
+C1CCC(C1)CCCCCCCCBr	552
+C1CCC1N2c3c(C(=C(C2=O)Br)N)cnc(n3)SC	3489
+C1CCC1Oc2nc(c3nc(n(C4OCCCC4)c3n2)Br)N	995
+C1CCCC(n2c(Br)nc3c(nc(OC(CC)C)nc23)N)O1	995
+C1CCCC(n2c(Br)nc3c(nc(OC(CCC)C)nc23)N)O1	995
+C1CCCC(n2c(Br)nc3c(nc(OCC(C)CC)nc23)N)O1	995
+C1CCCC(n2c(Br)nc3c(nc(OCCCC)nc23)N)O1	995
+C1CCCC1N2C(C(=C(CBr)N2C)Cl)=O	3646
+C1CCCCN1N2CCc3c(c(C)c(Br)n3-c4ccc(cc4Cl)Cl)C2=O	653
+C1CN(C(CC1c2n3ccnc(Cl)c3c(Br)n2)=O)C	794
+C1CN(CCC1)CCCN2C=CC(=CC2=O)c3cnn4c(ncc4Br)c3	1975
+C1CN(CCO1)C(c2c(c3c(cc(c(c3)OC)OC)s2)CBr)=O	795
+C1CN(CCO1)c2nc(Cl)nc3c2nc(CBr)cc3	6175
+C1CNCCC1C2Oc3c(cc(Br)cc3F)C2	38
+C1COCCC1(c2ccc(c(c2)Br)N)C(OC)=O	38
+C1COCCC1(F)c2scc(CBr)n2	6176
+C1COCCN1Cc2c(c(N)n3c(c(-c4cnc5ccccc5c4)cn3)n2)Br	1583
+C1COCCN1c2ncc(n3cc(nc23)CO)Br	2533
+C1COCCN1c2c3n(c(cn2)Br)cc(C(OCC)=O)n3	2533
+C1CC(CCS1(=O)=O)(C#N)c2ccc(c(Br)c2)N	38
+C1CC(c2ccc(OC)c(c12)Br)=O	38
+C1Cc2c(NC1=O)c(F)cc(Br)c2	38
+C1N(CC1(F)F)c2c(Br)nc(C(OC)=O)cn2	439
+C1N(CCCNC1=O)c2sc(c(Cl)n2)Br	617
+C1NC(=O)CC1c2cc(N)c(cc2Br)Cl	38
+c1c(Br)cc2CC(CC)Oc2c1	38
+BrC=1C(N2C(=NC=1C(C)Br)SC=C2C)=O	2521
+C1=C(Br)Cc2c(Cl)cccc12	6177
+CC(C)(C#N)c1cc(Br)c(OC)cc1Cl	38
+CC(C)(C#N)c1cc(cc(C(C)(C)C#N)c1)CBr	29
+CC(C)(C)C(=Cc1c(Cl)cc(cc1)Cl)CBr	2534
+CC(C)(C)C(=O)Nc1c(-c2ncccc2)cc(Br)c(F)c1	38
+CC(C)(C)COS(=O)(=O)c1c(ccc(c1)[N+](=O)[O-])CBr	29
+CC(C)(C)Cn1c(nc2cnc(nc12)C#N)CBr	6178
+CC(C)(C)N1C(=O)C(CBr)=C(C=N1)Cl	6179
+CC(C)(C)NS(=O)(=O)c1c(OC)ccc(CBr)c1	29
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)CBr	29
+CC(C)(C)NS(=O)(=O)c1cn(c(Br)c1)CC2CCCCC2	653
+CC(C)(C)OC(=O)CON=C(c1nc(sc1Br)N)C(=O)O	617
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C(CCCBr)(C(=O)OC1CCCC1)C	552
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1noc2cc(c(cc12)Cl)CBr	29
+CC(C)(C)OC(N(c1c2nc(C(F)(F)F)c(n2c(Br)cc1)Cl)C)=O	2535
+CC(C)(C)OC(=O)N(C)C1CN(C1)c2ncc(Br)n3c2nnn3	6180
+CC(C)(C)OC(=O)N(CC)CCCBr	552
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)CCBr	552
+CC(C)(C)OC(=O)N1CC(C)(C)c2cc(c(Cc3ccc(cc3)F)cc12)Br	38
+CC(C)(C)OC(=O)N1CCC(CC1)CCCN2C(c3cccc(c3N=C2CBr)OC)=O	6181
+CC(C)(C)OC(N1CCC(C1)n2c(c(c3c(N)ncnc23)-c4ccc(cc4)Oc5ccccc5)Br)=O	653
+CC(C)(C)OC(N1CCN(CC1)c2c(nc(Br)cn2)Cl)=O	439
+CC(C)(C)OC(=O)N1CCc2cc(c(F)c(c12)C(O)=O)Br	38
+CC(C)(C)OC(=O)N1CCc2cc(Br)sc2CC1	407
+CC(C)(C)OC(N1Cc2n(CC1)c(Br)nc2C(OC)=O)=O	866
+CC(C)(C)OC(=O)N1CCn2c(nnc2Br)C1	3647
+CC(C)(C)OC(NC1C(CCC1)Nc2ncc(C(F)(F)F)nc2Br)=O	439
+CC(C)(C)OC(NCC1Cc2cc(cc(Cl)c2O1)Br)=O	38
+CC(C)(C)OC(=O)NCc1cc(Br)c(N)nc1C	203
+CC(C)(C)OC(Nc1c(c(c(CBr)c(OC)c1)OC)Br)=O	29
+CC(C)(C)OC(=O)Nc1ccc(cc1)CBr	543
+CC(C)(C)OC(=O)Nc1ccc2cc(C#N)ccc2c1Br	38
+CC(C)(C)OC(=O)Nc1sc2c(c(cc(c2)CBr)-c3cc(ccc3)[N+](=O)[O-])n1	543
+CC(C)(C)OC(=O)Nc1ncc(cc1)CBr	223
+CC(C)(C)OC(=O)c1cc(c(cc1)CBr)OC	29
+CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(=C(Cl)C=C(C2=O)Cl)CBr	3646
+CC(C)(C)OC(c1c(-c2ccc(cc2)CBr)cccc1)=O	29
+CC(C)(C)OC(=O)n1c(C(=O)OCC)cc2cc(cc(CBr)c12)Cl	223
+CC(C)(C)OC(=O)n1c(cc2c1c([N+](=O)[O-])cc(c2)CBr)C(OC)=O	29
+CC(C)(C)OC(n1ccc2cccc(CBr)c12)=O	223
+CC(C)(C)OC(C(=O)OC)c1nc(sc1Br)C	617
+CC(C)(C)OC(C1C(N(c2c(CC1)cc(Br)c(OC)c2)CC)=O)=O	38
+CC(C)(C)OC(C=1N2C(C(C2S(CC=1CBr)=O)NC=O)=O)=O	6182
+CC(C)(C)OC(COc1cc(Br)cc(c1N)[N+]([O-])=O)=O	38
+CC(C)(C)OC(=O)N(c1ccc(cc1)C#N)c2ccc(c(CBr)c2)Br	29
+CC(C)(C)OC(N1C(C(c2ccccc2)O)CCC1Cc3ccc(N)c(Br)c3)=O	38
+CC(C)(C)OC(N1CCC2(CC1)c3n(-c4c(O2)cc(cc4)CBr)c(cc3)C#N)=O	29
+CC(C)(C)OC(=O)N1CCCC(C1)Cn2c3nc(ncc3c(c2-c4c(cccc4Cl)Cl)Br)Cl	3648
+CC(C)(C)OC(N1CCN(CC1)c2cnc(Br)cc2)=O	408
+CC(C)(C)OC(N1CCN(CC1)c2nc(N)c(cc2)Br)=O	203
+CC(C)(C)OC(=O)N1CCOC(Cc2ccc(c(Br)c2)O)C1	38
+CC(C)(C)OC(N1CCc2n(C3CCOCC3)nc(N4CCCc5c4cc(c(Br)c5)C#N)c2C1)=O	38
+CC(C)(C)OC(N1CCc2c(CC1)oc(Br)c2)=O	1314
+CC(C)(C)OC(=O)NC(CC=C(F)F)COc1cc2N(C(=O)c3c(-c2cc1Br)ccnc3C)C	38
+CC(C)(C)OC(NC(Cc1ccc(cc1)C(=O)CBr)CCO)=O	3649
+CC(C)(C)OC(=O)NC(c1c(cc(N)c(Br)n1)Br)Cc2cc(F)cc(F)c2	408
+CC(C)(C)OC(NCCOc1c(OC)cc(-c2ccc3n(c(Br)c(C)n3)n2)cc1)=O	1975
+CC(C)(C)OC(=O)Nc1c(C(OC)=O)cc(s1)Br	407
+CC(C)(C)OC(=O)Nc1c(F)c(ccc1OCc2ccccc2)Br	38
+CC(C)(C)OC(=O)Nc1cc(OC)c(c(c1Br)OC)C	38
+CC(C)(C)OC(Nc1c(c2c(ccc(c2)C#N)c(OCc3ccccc3)c1)Br)=O	38
+CC(C)(C)OC(=O)Nc1c(Br)c2c(ccc(c2)S(=O)(=O)C)cc1	38
+CC(C)(C)OC(Nc1ccc2c(c1Br)cc(cc2)C(=O)C)=O	38
+CC(C)(C)OC(C(OC)=O)c1c(n2nc(c(Br)c2nc1C)-c3ccccc3)Cl	1976
+CC(C)(C)OC(c1ccc(cc1NC(=O)c2c(ccc(CBr)c2)OCOC)-c3ccccc3)=O	29
+CC(C)(C)OC(c1c(c2c(c(Br)ccc2o1)O)C)=O	38
+CC(C)(C)OC(n1c2c(cc1)c(Cl)c(CBr)cc2)=O	29
+CC(C)(C)OC(=O)n1ccc(n1)CBr	299
+CC(C)(C)[Si](C)(C)OC1CN(CC1Nc2c(nc(-c3ccc(nc3OC)C(C)C)c(C)c2)Br)C(OCc4ccccc4)=O	408
+CC(C)(C)[Si](C)(C)OCC(N1c2c(cc(c(n2)OC)CBr)C(=O)C(=C1)C(OCC)=O)C(C)C	223
+CC(C)(C)[Si](C)(C)OCCCN1C(N(C)c2sc(c(C)c2C1=O)Br)=O	407
+CC(C)(C)[Si](C)(C)OCCOc1cc(cc(CBr)c1)C	29
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1Cl)CBr	29
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c2c(c(C(NC3CCC(CC3)(F)F)=O)nn2-c4ccc(cc4Cl)Cl)CBr	3650
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-n2c(c(C(=O)NC3CCC(CC3)(F)F)nc2-c4ccc(Cl)cc4Cl)CBr	3651
+CC(C)(C)[Si](C)(C)Oc1cccc(c1)-c2nc(N3CCOCC3)nc4n(C(C)CC)c(nc24)Br	995
+CC(C)(C)[Si](C)(C)Oc1c2c(ccc(n2)C)c(cc1)Br	1977
+CC(C)(C)c1cc(CBr)cc(c1)Cl	29
+CC(C)(C)c1cc(CBr)nc(Cl)c1	299
+CC(C)(C)c1onc(N)c1Br	2536
+FC(F)(F)Sc1cc(C(C)(C)C)cc(Br)c1N	38
+CC(C)(C)c1cc(Br)ccc1O	38
+CC(C)(C)c1ccccc1Oc2nc(Br)ccc2N	408
+CC(C)(C)c1nc(sc1Br)N	617
+CC(C)(c1cc(Br)c(c(C=O)c1)O)C(OC)=O	38
+CC(C)C(N1CCC(CC1)CBr)=O	552
+c1cc(ccc1N2C(=Nc3c(ccc(c3Br)N)C2=O)C(C)C)Cl	38
+CC(C)C=1Oc2c(c(N)ccc2C(C=1c3ccc(cc3)Cl)=O)Br	38
+CC(C)CCCCCCBr	552
+CC(C)CN1C(=O)n2cnnc2-c3[nH]c(nc13)Br	866
+c1cc(ccc1)-c2nc(NCC(C)C)c3n(ccn3)c2Br	2533
+CC(C)COc1c(cc(cc1)Cl)CBr	29
+CC(C)N1C(C=CC(c2nc(c(nc2-c3ccccc3)N)Br)=N1)=O	439
+CC(C)Oc1ccc(cc1)-c2cc3c(Br)c([nH]c3cc2)C(=O)OCC	986
+CC(C)S(=O)(=O)c1ccc(cc1)-c2cnc(N)c(n2)Br	439
+CC(C)[Si](C(C)C)(C(C)C)n1c(c(-c2ccncc2)c(c1)Br)-c3ccc(cc3)F	986
+CC(C)c1c(n2ncc(Br)c2nc1C)Cl	1976
+CC(C)c1cc(Br)ccc1O	38
+CC(C)c1c(c[nH]c1Br)C(=O)OC	653
+CC(C)c1c(cc(C(OC)=O)[nH]1)Br	986
+CC(C)(Br)c1ccc2C(c3ccccc3C(c2c1)=O)=O	6183
+CC(C)c1nc(c(-c2c(nc(c(Br)n2)NC(C)COC)Cl)cc1)OC	439
+CC1(C)OB(OC1(C)C)c2c(cccc2CBr)C	29
+CC1(C)OB(OC1(C)C)c2c(CBr)cc(Cl)cc2	29
+CC1(C)C(=O)N2CC(CCC2C1)c3n4ccnc(Cl)c4c(Br)n3	794
+CC1(C)Oc2c(cc(Br)c(C)c2)NC1=O	38
+CC1(C)c2cc(c(cc2C(C)(C)CC1=O)C=Cc3cc(C)c(C(O)=O)cc3)CBr	29
+CC1(C)CC(=O)c2cc(c(cc2O1)OC)Br	38
+CC1(C)COC(c2c(c(OCC)no2)CBr)=N1	6184
+CC1(C)Oc2c(c(c(Br)c(c2C)C)C)C1	38
+CC1(C)C(C)(C)OB(O1)c2c3c(ccc2CBr)cccc3	29
+c1cc(ccc1C#N)C2=C(C(=O)C(C)(C)O2)Br	6185
+CC1(C)Oc2c(cc(cc2C1)Cl)CBr	543
+CC1(C)c2cc3[nH]c4ccc(Br)cc4c3cc2-c5ccccc15	38
+CC1(C)CCc2cc(c(cc12)Br)OC	38
+CC1(C)c2c(Br)c(c(C(C)=O)cc2CCC1)O	38
+CC1(C)c2cc(c(cc2CCC1=O)Br)OC	38
+CC1(C)CCC(C)(C)c2cc(c(cc12)Br)CBr	29
+CC1(C)CCc2c1cc(C=O)c(O)c2Br	38
+C(C)C(CC)Oc1c(NC)nc(c(Br)c1)I	203
+C(Br)(C(c1ccc2occc2c1)=O)C	2537
+CCCCn1c(Br)nc(c1N)C(=O)N	866
+CCCN(CCC)c1ccc(Br)c2NC(=O)N(C)c12	38
+c1(OCCC)c(-c2nc(c3c(n2)n(nc3C)CCC)O)cc(cc1)Br	38
+c1(Br)c(C)nc(C(OCC)=O)s1	617
+CCOC(=O)c1cn(c(Br)n1)CC=C	866
+CCOC(c1cccnc1CBr)=O	299
+CCOC(c1cc(Br)[nH]c1C)=O	653
+c1cc([nH]c1Br)C(=O)OCC	653
+c1(c(Cl)nccc1C(OCC)=O)CBr	223
+CCc1noc(N)c1Br	2536
+c12cnc(cc1n(CC)cc2Br)C(=O)OC	6186
+CN(C)C(c1c(ccs1)C)Cc2c(ccc(c2)Br)N	38
+CN(C)C(c1oc2c(F)c(c(C)c(c2n1)C#N)C(CBr)=O)=O	3649
+O(C)P(OC)(=O)Cc1c(CBr)nc2c(cc(cc2)Cl)c1	299
+COc1cccc([N+]([O-])=O)c1CBr	29
+COc1cccc(Cl)c1CBr	29
+c1c(OC)c(Cl)ccc1CBr	29
+COc1cc2OCCC(=O)c2cc1Br	38
+C(c1cc(OC)ccc1Br)Br	29
+C(Br)c1ccc(OC)cc1[N+]([O-])=O	29
+COc1ccc(-c2c3c(cc(OC)c(c3)OC)nc(CBr)c2C(C)=O)cc1OC	299
+COc1cc2C(Br)=CN(c3cccc(C#N)c3)C(c2cc1)=O	2538
+c1(c(OC)ccc(Br)c1OC)-c2ccccn2	38
+C[Si](C)(C)CCOCn1c(c(Cl)c2c(O)nncc12)Br	2539
+C[Si](C)(C)CCOCn1c(nc(c1)C(OC)=O)Br	866
+c1c(cc(c(Nc2c(ncc(CNC=O)n2)C(=O)OC)c1)F)Br	6187
+C(Br)c1cccc(Br)c1Cl	29
+c1c(C#N)ccc2c1c(c(c(CBr)n2)C(=O)OC)Cl	299
+C(c1cccc2ccsc12)Br	795
+c12c(nn(C)c1ncnc2Cl)CBr	299
+Cc1nccn2c(ccc12)Br	6188
+C(c1cc(C#N)cc(-c2onc(n2)-c3ncccc3)c1)Br	29
+Clc1cc(CBr)c(OCC#N)c(C)c1	29
+c1(cc(cc(C)c1[N+](=O)[O-])CBr)C	29
+c1cc(Br)c(cc1CBr)C(=O)O	29
+c1cc(I)c(Cl)cc1CBr	29
+c1c2c(nc(-c3cc(c(cc3)CBr)-c4cc(ccc4)C#N)o2)ccc1	29
+C(c1ccc(cc1F)C#N)Br	29
+C(c1ccc(cc1F)C(=O)OC)Br	29
+c1cc2c(ccc(NC(C)=O)n2)cc1CBr	29
+c1c(CBr)cc2c(occ2)c1	29
+C(c1cccc(c1Br)C#N)Br	29
+c1c(ccs1)-c2ccccc2CBr	29
+c1(CBr)c(-c2nnsc2)cccc1	29
+Clc1c(c(nc(c1)Cl)CBr)C#N	299
+Cc1nc2c(c(N)c1C(=O)OCC)c(c(Br)s2)-c3cc(ccc3)OC	407
+Cc1nc2ccc(Cl)cc2cc1CBr	223
+c1(F)cc2c(cc1)nc(c3c(nc(Br)n23)C)C	6189
+Cc1nc2c(c(C)c(Br)s2)c(N)c1C(=O)OCC	407
+Cc1nc(Br)c(nc1-c2ccc(Oc3nccc4c3cco4)cc2C)N	439
+ClC(Cl)=C(Cl)c1cc(CBr)cc(c1)C	29
+ClC(Cl)=C(Cl)c1cc(cc(C(Cl)=C(Cl)Cl)c1)CBr	29
+C(c1ccc(C#N)cc1Cl)Br	29
+c1(cc(Br)cnc1N)OCc2c(Cl)ccc(F)c2Cl	203
+C(c1cc(c(Cl)cc1C#N)[N+]([O-])=O)Br	29
+c1(c(c(Br)cc2CCN(CCc12)C(OCC)=O)N)Cl	38
+Clc1cc(cc(CBr)c1)Br	29
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(CBr)c2F)c1	29
+Nc1cc(Cl)c(Br)cc1C#N	38
+Nc1c(cc(Br)c(Cl)c1)[N+]([O-])=O	38
+Nc1cc(F)c(Br)c(Cl)c1	38
+C(c1ccc(OC(C)=O)cc1Cl)Br	29
+Clc1cc(c(CBr)cc1)C(=O)OCC	29
+c1c(Cl)c(c(c(N)c1[N+]([O-])=O)Br)Cl	38
+C(c1cc(cc(Cl)c1C(=O)OC)Br)Br	29
+c1c(Cl)c(c(cc1C(C)(C)O)Cl)Nc2nc3ccncc3c4c(O)ncc(c24)Br	3376
+Clc1cc(ccc1)Nc2ncc(Br)s2	617
+Clc1cc2c(c(C(=O)OCC)sc2cc1)CBr	795
+c1(Cl)ccn2c(ncc2Br)c1	973
+Clc1ccc(C(c2oc3cc(ccc3c2CBr)Br)=O)c(Cl)c1	6190
+Clc1ccc(CBr)nc1Cl	299
+Clc1ccc(CC)c(-c2[nH]c(-c3c(cnc(N)n3)Br)cc2C(=O)OCC)c1	1583
+Clc1cc(Br)c(N)c([N+]([O-])=O)c1	38
+Clc1ccc(c(Cl)c1)C2C(=C(N=C(c3ncccc3F)N2)CBr)C(=O)OCC	1093
+N1c2c(cc(Br)c(Cl)c2)CCC1=O	38
+Clc1ccc2c(c1)n(c(Br)c2Sc3cc(ccc3)C(=O)OCC)-c4cn(CCC)nc4	2539
+Clc1ccc2cnc(CBr)cc2c1CC(OC)=O	299
+Clc1cccc(-c2[nH]nc(c2Br)N)c1	875
+Clc1cccc(Oc2cc(ccc2OC)CBr)c1	543
+Clc1cccc(c1)-c2c(ccc(CBr)c2F)OC	543
+Clc1cccc(c1)-c2nn(-c3cc(CBr)c(Cl)cc3)cc2	29
+FC(F)(CCCCCCCCCCCCCCCC)C(=C)CBr	2534
+FC(F)(F)C(N1CC(C)c2cc(Br)c(cc2CC1C)OC)=O	38
+FC(F)(F)C(=O)N1CC(C)c2cc(c(OC)cc2CC1)Br	38
+FC(F)(F)C(NNc1ncc(nc1Cl)Br)=O	439
+FC(F)(F)C(N1C(=O)C(=C(C(=C1)Br)OC)C#N)C2CC2	6191
+FC(F)(F)C1(CC(C)(C)c2c(cccc2)CBr)OC1	29
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(CBr)c(c3)Cl	29
+FC(F)(F)C=1N(C(=O)N(C(C=1)=O)c2ccc3snc(-c4sccc4CBr)c3c2)C	795
+FC(F)(F)COc1cc(ccc1F)CBr	29
+FC(F)(F)COc1nc(Br)c(N)cc1Cl	408
+FC(F)(F)COc1c(CBr)cccc1Cl	29
+FC(F)(F)COc1cc(cc(Br)c1N)C(C(OC)=O)CC2CCC2	38
+FC(F)(F)Oc1ccc(cc1Br)C=O	38
+FC(F)(F)Sc1cnc(c(Br)c1)NC	203
+FC(F)(F)c1c(Cl)cccc1CBr	29
+FC(F)(F)c1c(c(C(=O)OC)ccc1)CBr	29
+FC(F)(F)c1c(N)c(cc(Br)c1)Cl	38
+FC(F)(F)c1c(Br)c(-c2ccc(cc2)-c3cc(ccc3)S(=O)(=O)C)n(CC(OCSC)=O)n1	875
+FC(F)(F)c1cc(cc(c1)CBr)-c2ccc(cc2)C#N	543
+FC(F)(F)c1cc(-c2nc3ccc(CBr)cc3s2)ccc1-c4ccccc4	29
+FC(F)(F)c1c(cc(Cl)c(c1)N)Br	38
+FC(F)(F)c1c2c(O)c(Br)ccc2nc(O)c1	38
+FC(F)(F)c1cc(cc(c1)C#N)Oc2c(ccc(CBr)c2F)Cl	29
+FC(F)(F)c1cc([N+](=O)[O-])c(c(c1)Br)NC	38
+FC(F)(F)c1cc([N+]([O-])=O)ccc1-c2ncc(CBr)cc2	223
+FC(F)(F)c1cc(c(c(CBr)c1)I)[N+](=O)[O-]	29
+FC(F)(F)c1c(c(Cl)cc(N)c1)Br	38
+FC(F)(F)c1cc(-c2oc(cn2)CBr)ccc1	3652
+FC(F)(F)c1c(CBr)ccc(C(=O)OC)c1	29
+FC(F)(F)c1cc(Nc2cc(cc(n2)Br)CBr)ncc1	29
+FC(F)(F)c1cc2c(Cl)c(C(OC)=O)c(CBr)nc2cc1	299
+FC(F)(F)c1ccc(c(c1)Br)CBr	29
+FC(F)(F)c1c(cc(c(Br)c1)N)F	38
+FC(F)(F)c1ccc(cc1)-c2c(ccc(c2)CBr)C(OC)=O	29
+FC(F)(F)c1ccc(cc1)-c2nc(CBr)c(C(OC)=O)cc2	299
+FC(F)(F)c1ccc(cc1)-c2c(Br)oc(CCOC(=O)C)n2	6192
+FC(F)(F)c1ccc(cn1)-n2c(Br)nc(c2-c3c(F)cc(cc3F)OC)Cl	866
+FC(F)(F)c1cc(-c2nc(CBr)ccc2OC)ccc1	299
+FC(F)(F)c1cc(ccc1)-c2nc3ccc(S(=O)(=O)C)cc3c(C(OC)=O)c2CBr	223
+FC(F)(F)c1cccc(c1)-n2c(C)c(Br)nc2OCC	984
+FC(F)(F)c1cc(ccc1)N2C(=C(N=C(C(=O)NC)C2=O)Br)C	6193
+FC(F)(F)c1cc(ccc1)-c2n3ncc(c3ncc2)Br	1976
+FC(F)(F)c1c2nc(c(n2ccc1)-c3cc(Oc4cccc(S(=O)(=O)C)c4)ccc3)CBr	3651
+FC(F)(F)c1cn2c(cc1)c(Br)c(-c3cc(F)ccc3)n2	6194
+FC(F)(F)c1cn2c(c(ccc2Br)NC)n1	2535
+FC(F)(F)c1cnc(NC)c(Br)c1	203
+FC(F)(F)c1cn2c(c(ccc2Br)N)n1	2535
+FC(F)(F)c1nc2c(c(Br)ccc2OC)[nH]1	6195
+FC(F)(F)c1nn(C(C)C)c(OC(F)F)c1CBr	3650
+FC(F)(F)c1n2CCC(Cc2nn1)c3nc(c4c(Cl)nccn34)Br	794
+FC(F)(F)c1nnc2n1CCN(c3nc(c4c(Cl)nccn34)Br)C2	794
+FC(F)Oc1c(c(-c2cc(CBr)c(cc2)Cl)nn1C)Cl	29
+FC(F)c1nc(Br)c(N)cc1	408
+C1(=C(N=C2N(C1=O)C=C(F)C=C2)CCl)Br	2521
+c1(c(ccc(c1)-c2cc(ccc2)OC)CBr)F	29
+[N+]([O-])(=O)c1cc(F)c(cc1F)CBr	29
+c1(cc(c(F)cc1C(OC)=O)CBr)F	29
+CCOC(c1c(cc(c(F)c1)CBr)F)=O	29
+Fc1cccc(F)c1COc2c3n(c(Br)c(C)n3)ccc2	973
+N#Cc1c2c(c(O)nc1)cc(Br)s2	6196
+N#Cc1ccccc1Oc2c(O)cc(c(Br)c2)C	38
+N#Cc1csc(CBr)n1	3653
+C(Br)c1ccc2c(nc(NC(C)=O)cc2)c1	29
+C(c1cc(N2C(=CC(=C(Br)C2=O)OCc3ccc(cc3CNC(OC)=O)F)C)c(C)cc1)(=O)O	2540
+c1c(ccc(COC2=C(Br)C(N(C(=C2)C)c3c(C)ccc(C(=O)O)c3)=O)c1F)F	2540
+N1(C=CC=C(C1=O)C(=O)NC(CC(OC)=O)c2sc(cc2)Br)Cc3ccc(F)c(F)c3	407
+N1=NN(c2c(c([N+]([O-])=O)ccc2)CBr)C(=O)N1C	29
+N1=NN(c2cccc(Br)c2CBr)C(=O)N1C	29
+N1=NN(c2cccc(Cl)c2CBr)C(=O)N1C	29
+N1=NN(c2cccc(I)c2CBr)C(=O)N1C	29
+N1=NN(c2c(c(ccc2)OC)CBr)C(=O)N1C	29
+N1=NN(c2c(c(ccc2)OCC)CBr)C(=O)N1C	29
+c1(cc2NC(CCc2cc1Br)=O)F	38
+c1(c(N)ccc(Br)c1F)C#N	38
+Nc1c(F)cc(Br)cn1	203
+c1(cc2c(s1)C(NCC2)=O)-c3cc(Br)cnc3N	203
+Nc1c(C(=O)OC)nc(Br)c(F)c1	408
+c1(C)cc(N)c2OCCc2c1Br	38
+c1(C)cc(N)c2c(CC(C)O2)c1Br	38
+Nc1cc(C)c(cc1[N+]([O-])=O)Br	38
+Nc1cc(c(cc1Br)Cl)OC	38
+Nc1c(c2n[nH]cc2cc1Br)C(=O)OC	38
+Nc1c(c(Cl)c(cc1)Br)C	38
+Nc1ncc(Br)c(C#N)c1	203
+Nc1ncc(Br)c(C)n1	1583
+Nc1ncc(Br)c(Cl)c1	203
+C(c1c(OC(C)=O)cc([N+]([O-])=O)cc1)Br	29
+C(OC)C(COC)(C(OC)=O)c1cc(c(O)c(c1)Br)C=O	38
+O(C)c1c(Cl)cc(c(F)c1[N+](=O)[O-])CBr	543
+O(C)c1ncc(Br)c(Cl)c1	203
+c1(cc(sc1OC)C(=O)OC)Br	2541
+O(CC)C(C(N1C(COc2c1cc(c(C)c2)Br)=O)C)=O	38
+O(CC)P(OCC)(=O)C(F)(F)c1ccc(CBr)cc1Br	29
+O(CC)P(OCC)(=O)C(F)(F)c1c(Cl)cc(CBr)cc1	29
+c1c(OC(C)=O)c(c2c(c1)C(=C(C(=O)O2)CBr)C)C	6197
+O(c1cccnc1C(=O)CBr)C	6198
+C1COC2(CCC(CC2)Nc3c(O)cc(Br)cc3)O1	38
+C1CC(CCC12OCCO2)c3nc(c(N)nc3)Br	439
+O1CCOC12CC3CCOc4cc(N)c(cc4C3(CC2)CC)Br	38
+O=C(C)OCC(COC(=O)C)c1ccc(c(c1)Br)N	38
+c1c(cc2NC(=O)CC3N(c2c1)CCNC3)Br	38
+O=C1c2c(C(=O)N1C(COc3cc4N(C(=O)c5c(ccnc5C)-c4cc3Br)C)CC(C)C)cccc2	38
+C1(=O)c2c(C(=O)N1c3ccc(CBr)c(F)c3)cccc2	29
+O=Cc1cc(cc(c1O)Br)C(=O)OC	38
+c1(ccc2C(=O)N(C=C(c2c1)Br)c3cc(c(cc3)C=O)OC)OC	2538
+O=Cc1cc(c(cc1N)OC)Br	38
+O=S(=O)(C)Nc1cc(Nc2ncc(Br)s2)ccc1	617
+O=S(=O)(Oc1ccc(Cl)c(c1)CBr)C	29
+O=S(=O)(c1cc(-c2sc(cc2)-c3nn(C)cc3Br)ccc1)C	875
+O=S(=O)(c1ccc(cc1CBr)C#N)CC	29
+O=S(=O)(Cl)c1c(cc(Br)cc1)CBr	29
+O=S(=O)(Cl)c1cc(CBr)ccc1	29
+O=S(=O)(N(C)C)NC(c1cc(F)c(cc1F)CBr)=O	29
+O=S(=O)(N(COC)c1cccc(-c2nc(sc2Br)N)c1F)c3c(F)ccc(F)c3	617
+O=S(=O)(c1cc2c(Br)cnn2cc1)N(C3CC3)c4ccc(C#N)cn4	3654
+O=S(=O)(Cl)c1cc2n(cc(Br)c2cc1)C	986
+O=S1(=O)Cc2cc(ccc2N1C)Br	38
+c1c(cc(CCO)c(c1)O)Br	38
+Oc1c2sccc2c3c(Br)c(OC)c(c(c3n1)F)F	1977
+CCOC(c1cc(Br)c(C)[nH]1)=O	986
+c12c(c[nH]c1ncnc2Cl)Br	3648
+Brc1c2cccnc2[nH]c1	1978
+Nc1c(cc(Br)c(-c2ncco2)n1)[N+](=O)[O-]	203
+C(c1cc(-c2nc3cccc(c3o2)C(OC)=O)ccc1)Br	29
+n1ccc(cc1-c2c(Br)n(CCc3ccccc3Cl)cn2)C#N	984
+n1c2n(c(c1-c3cc([N+]([O-])=O)c(C)cc3)Br)nc(OC)cc2	1975
+Nc1c(cc(Br)c(-c2cccnc2)n1)[N+](=O)[O-]	203
+c1(-c2ncon2)cc(F)c(CBr)cc1	29
+c1(C(=O)O)cc(-c2n(C)ncc2Br)c(Cl)s1	875
+C(Br)c1c(F)ccc([N+]([O-])=O)c1	29
+C(c1ccc(cc1Br)C(=O)OC)Br	29
+c1(CBr)c(ncc(Br)c1)C(=O)OC	223
+c1(cc(C)cc(c1)CBr)CC(O)=O	29
+c1(cc(-c2cnc(OC)c(OC)c2)cc(c1C(=O)OC)CBr)C	29
+C(Br)c1ccc(Cl)c(Oc2c(c(F)cc(c2)Br)Cl)c1F	29
+c1(CCCC)[nH]c(c(C=O)n1)Br	984
+c1(C=O)cc2c(Br)n[nH]c2cc1	6199
+O=Cc1cc(cc(C(=O)O)c1)Br	38
+C(Br)c1cc(cc(C)c1OC)Br	543
+c1(cccc(Cl)c1COc2cc(cnc2N)Br)Cl	203
+c1(Cl)cccc(Cl)c1N2C=C(Br)c3c(cnc(SC)n3)C2=O	3655
+c12n(c(Cl)cc(n1)Cl)ncc2Br	1976
+Fc1cc(cc(F)c1Br)N	38
+C(C(Br)c1cccc(F)c1)(OC)=O	2542
+c1(I)cc(ccc1F)CBr	29
+Nc1ccnc(Cl)c1Br	203
+Nc1c(Br)nc(-c2cc3cnn(C)c3cc2)cc1	408
+c1(OC)cc(CBr)cc(Br)c1	543
+c1(cc(cc(OC)c1CBr)C#N)OC	29
+C(Br)c1ccc(Cl)c(Oc2cc(cc(Br)c2)C#N)c1F	29
+C(c1ccc([N+]([O-])=O)cc1Cl)Br	29
+C(Br)c1ccc(OCC)cc1[N+]([O-])=O	29
+c1([N+]([O-])=O)cccc(-c2nc3c(o2)ccc(CBr)n3)c1	299
+c1(c(-c2ccncn2)cc(Br)c(n1)N)-c3occc3	203
+c1([N+]([O-])=O)cccc(c1CBr)Br	29
+Nc1c(C#N)c(C)c(Br)cn1	203
+c1c(cc(c(F)c1)C23COC(C)C2CSC(N)=N3)Br	6200
+COc1cnc2ccc(c(c2n1)CBr)F	223
+c1(O)c(cc(cc1F)Br)C=O	38
+Ic1c(CBr)cc(Br)cn1	223
+Nc1c(cc(cc1C)F)Br	38
+c1(ccc([N+]([O-])=O)c(c1C(=O)OC)CBr)Br	29
+C(c1cccc(c1C(=O)OC)Br)Br	29
+C(Br)c1cccc([N+]([O-])=O)c1Cl	29
+c1(c(F)ccc(Br)c1F)CBr	29
+C(Br)c1cccc([N+]([O-])=O)c1F	29
+c1(O)c(F)cc(cc1C#N)Br	38
+O(C)c1c(c(c(C(=O)O)cc1Br)O)F	38
+c1(c(cc(c(CBr)c1)C(=O)OC)[N+]([O-])=O)OC	29
+CCOC(c1c2c(c(CBr)cs2)c(Cl)nc1)=O	795
+c1(cc(cs1)-c2n(C)ncc2Br)C(=O)OC	875
+c1(cc(-c2c(Br)[nH]c(CC)n2)ccc1F)C	984
+c1(cc(CNc2nc(F)c(cc2)Br)cnc1OC)F	203
+O(C)c1c(C(=O)C)cc(Cl)c(C)c1Br	38
+c1(cc(F)ccc1)C2=CC(Oc3cc(ccc23)CBr)=O	29
+C(c1c(Br)c(C)cc([N+]([O-])=O)c1)Br	29
+c1(Cl)cc(cc(Cl)c1CBr)Br	29
+c1(cc2OCCC(C(c2cc1)=O)Br)N3CC(CNC(C)=O)OC3=O	2537
+c1(c(OCc2ncccc2)nc3c(c(Br)cn3C)c1)F	1978
+c1(c(c2c(cc(OC)cc2)cc1)Br)O	38
+c1(ccc(cc1F)CBr)C(=O)O	29
+c1c(cc(c(N)c1)Nc2cc(F)c(cc2)C(=O)OCC)Br	38
+c1(ccc(OC)cc1-c2nc3c(cccc3CBr)o2)OCOC	223
+c1(ccc(cc1Br)F)C2C(=C(N=C(c3sc(OC)cn3)N2)CBr)C(=O)OCC	1093
+c1c(nc(CC)c(c1)Br)N	203
+c1(cccc(F)c1)CN2C=CC(O)=C(Br)C2=O	2540
+c1(cccc(N=C2N(C=C(Br)S2)COC)n1)C(=O)OC	6201
+c1c([N+](=O)[O-])cc(cc1Br)[N+](=O)[O-]	38
+c12ccc(Br)c(c1cccc2)O	38
+c12ccccc1c(O)ccc2Br	38
+c1cc(c(cc1Br)CC)OC	38
+c1c(c(ncc1Br)N)Cc2ncccc2	203
+Clc1ccc(F)c(c1C(C)Oc2cc(Br)cnc2N)Cl	203
+Brc1sc(cc1)CCCCC	407
+o1c(Br)cc(c1C)C(=O)OC	1314
+c1(ccsc1CNC(=O)C)CBr	795
+c1(CO)cc(Br)sc1Cl	407
+C(C)OC(c1cn2ncc(C#N)c(Cl)c2c1CBr)=O	223
+Cc1nc(c2ccc(OC)cc2c1Br)O	203
+c1(nc(N)c2nc(n(C3CCCCO3)c2n1)Br)NC(CCC)C	995
+c1(cccc(CBr)n1)C(=O)OC	299
+n1c2c(occ2)ccc1CBr	299
+c1cc(Br)c2c3N(C(Nc13)=O)C(c4ncccc4)(C(=O)N)CO2	38
+c1(ncccc1)N2C=C(Br)C=CC2=O	6202
+c1c(Br)cc2c(N(CCC2)C)c1	38
+BrC=1c2n[nH]c(c2C(N(c3c(cccc3)C)C=1)=O)N	3655
+C(c1csc2cc(Cl)c(F)cc12)Br	795
+c12c(c(Cl)c(C(=O)OC)c(n1)CBr)cccc2	299
+c1(C)c2c(c(c(c(n2)O)C)C)c3OC(CBr)Cc3c1	6203
+c1c(c(O)c2c(ccc(n2)OC)c1Br)F	1977
+c1cc2scc(Br)c2cc1CO	2541
+c12nc(SC)ncc1cc(Br)c(O)n2	203
+Cc1nc2nc(ncc2cc1Br)NCCOC	203
+c1(c2c(c(cn1)Br)ncnc2)O	3656
+n1cc2ccc(C(=O)O)cc2c(Br)c1	203
+CCCCC1C(c2c(C1)c(c(O)c(F)c2)Br)=O	38
+c1cc2c(cc1F)c(cnc2N)Br	203
+C(Br)c1ccc2cccc(Br)c2n1	299
+n1c2c(ccc1CBr)cc([N+]([O-])=O)cc2	299
+c1cccc2ccc3c(cc(c4ccccc34)CBr)c12	29
+c12CCNc1c(F)cc(Br)c2	38
+c1(c(Cl)cc2n(c(Br)nc2c1)C3CC(C(C3OC(=O)C)OC(=O)C)COC(=O)C)Cl	3570
+c1c2c(ncc1CBr)sc(n2)-c3c([N+]([O-])=O)cccc3	223
+c1c(-c2cc(CBr)ccc2)csc1	29
+c1(Br)cccc(Br)c1CBr	29
+C(Br)c1c(cc(Br)c(C(=O)O)c1)F	29
+c1c(C#N)ccc2C(C(CCc12)Br)=O	2537
+C(Br)c1cccc(C)c1Cl	29
+c1(C)cc(cc(C)c1Oc2c3c(nc(Nc4ccc(cc4)C#N)n2)c(cn3C)Br)C#N	6204
+C(c1c(Br)c(C)cc(OC(C)=O)c1)Br	29
+COc1nc2c(-c3ccc(CBr)cn3)ccnc2cc1	223
+c1cc(Br)ncc1CBr	223
+c1cc(ncc1CBr)N2CCCC2=O	223
+c1c(CCCBr)c(F)c(Cl)cc1	552
+c1c(-c2ccccc2Cl)sc(n1)CBr	3653
+Clc1cc(c(cc1)Oc2c3c(cccc3)ccc2)CBr	29
+c12c(c(Br)ccc1)cc(Cl)nc2Cl	38
+c1c(Br)c(F)c(C#N)c(F)c1	38
+c1cc(CBr)c([N+]([O-])=O)cc1I	29
+c1c(NC(C)=O)c(cc2C3=C(C(CCC3(CCCC)Cc12)=O)Br)F	6205
+c1c(OC(CBr)=CC(OCC)=O)c2c(cccc2)cc1	3657
+c1(Oc2ccc([N+]([O-])=O)cc2Cl)cccc(C(=O)OC)c1CBr	29
+C(c1cc(c(C#N)cc1Br)F)Br	29
+c1c(c(C#N)cc(Br)c1O)F	38
+C(OC(=O)Nc1c([N+]([O-])=O)cc(cc1)CBr)C	29
+c1(F)c(Cl)cc(c(O)c1Br)C(=O)C	38
+n1c(c(Br)cc(c1N)[N+]([O-])=O)-c2c(cccc2)F	203
+c1(cc(Br)c(C#N)cc1NC)[N+]([O-])=O	38
+c1c(cc(c(CBr)c1)C(=O)OC)Br	29
+c1c(cc(CBr)c(C(=O)OC)c1)Br	29
+c1c(cc(CBr)c(Cl)c1)Br	29
+c1c(cc(CBr)c(I)c1)Br	29
+c1c(cc(CBr)cc1)C(NC)=O	29
+c1c(cc(CBr)cc1F)Br	543
+c1c(cc(c(CBr)c1)I)Br	29
+c1c(cc(c(CBr)c1)C(=O)OCC)Br	29
+c1c(cc(c(NC2=C(C(=O)OC)C=C(C(N2C)=O)Br)c1)F)Br	6206
+O1c2cc(c(Br)cc2CC1)Br	38
+c1c(cc2ccc(nc2c1)CBr)Br	299
+n1c(cccc1CBr)F	299
+Cc1c(Br)n2c(n1)ccc(Cl)n2	1975
+c1c2c(ccc1)CC(C2Nc3nc(c(nc3CC)Br)CC)O	439
+c1c2c(CBr)ccc(F)c2oc1	29
+COc1cc2c(c(ncc2Br)O)cc1	203
+c1cc2c(CCCN2)cc1Br	38
+c12ccc(cc1c3ccccc3n2C)Br	38
+c1cc2c(cc1CBr)c(Cl)ncc2	29
+c1c(c(OC)cc(c1)-c2nc3ccccc3o2)CBr	29
+c1cc2ccc(nc2c(CBr)c1F)OC	223
+c1cc2c(c(c1OC)Br)ccc(n2)C	1977
+C(C)OC(c1nc(Br)c2ccccn12)=O	6207
+CCOC(c1ccccc1CBr)=O	29
+c1(c(CBr)cccc1Oc2c(F)cccc2)OC	29
+c1cc(cc(OCCCOC)c1OCC)CBr	29
+C(OC)CCOc1cc(c(C)cc1OC)Br	38
+C(c1ccc2c(nccn2)c1)Br	29
+c1cc(CBr)ncc1Br	299
+c1cc2c(n(CC)cc2Br)nc1F	1978
+ClCc1cc(Br)c(O)c(C(=O)C)c1	38
+C(c1cc(ccc1[N+]([O-])=O)F)Br	29
+O=Cc1c(O)c(cc(C2CCOC2=O)c1)Br	38
+BrC1=CN(C(=O)C(C#N)=C1Cl)c2c(cccc2)C	6208
+c1cc(ccc1-c2c(-c3ccccc3)cc(C#N)c(n2)Cl)CBr	29
+c1cc(ccc1)-c2onc3c2cccc3CBr	223
+c1ccccc1-c2c(c(n[nH]2)CCC#N)Br	875
+c1ccccc1-c2cc3c(csc3cc2)Br	2541
+C1CC(CCC1CC=2OC(=O)NN=2)c3c(Br)c(N)n4c(n3)c(cn4)-c5cnc(cc5)-c6ccccc6	1583
+c1ccccc1-c2ncc(CBr)cc2	223
+c1ccccc1-c2cc3c4c(ccc(c4)-c5ccccc5)n6-c7ccc(cc7C(C)(C)c(c2)c36)Br	38
+c1ccccc1-c2nc(N)nnc2Br	6209
+c1cc(ccc1)-c2nc3c(c(c2CBr)C(=O)NN(C(=O)OC)c4ccccc4)cccc3	223
+c1cc(ccc1)-c2c3ccc(CBr)cc3no2	29
+c1ccccc1-n2c(c(C#N)c3c(O)c(nc(Br)c23)C(OCC)=O)-c4ccc(cc4)F	6210
+c1cc(ccc1)C(NC(=O)c2c3n(c(c2)Br)CCOC3)CC	653
+c1cc(ccc1)C(NC(=O)Nc2ncc3c(c2Br)[nH]nc3NCC)C	3656
+c1cc(ccc1)-c2nc3ccccc3c(C(NC(c4ccccc4)CC)=O)c2CBr	223
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(c5c4cc([N+](=O)[O-])c(c5)CBr)Br	29
+c1ccccc1C(c2ccccc2)=Nc3c(c(C(F)(F)F)c(cc3)C#N)CBr	29
+c1cc(ccc1)C=2C(N(c3c(c(O)c(C(OC)=O)nc3Br)C=2)C(c4ccccc4)C)=O	408
+C1CC(CCN1c2c(C#N)c3nnc(Br)n3cc2)c4ccccc4	6211
+c1cc(ccc1)C2CCc3c4c(NC(=O)N24)ccc3Br	38
+c1ccccc1CCC2=Cc3c(c(C(OC)=O)nc(c3N(C2=O)Cc4ccccc4)Br)O	408
+c1cc(ccc1)CCCCBr	552
+c1ccccc1OC(=CC(OCC)=O)CBr	3657
+c1cc(ccc1)Oc2c3c(O)c(nc(Br)c3ccc2)C(OC)=O	408
+c1ccccc1Oc2c3c(nc(c(O)c3ccc2)C(=O)OC)Br	408
+c1cc(ccc1)Oc2c3c(NC(CC3)C)ccc2Br	38
+O=S(=O)(c1ccccc1)n2c(CBr)c(cc2)C(=O)OCC	299
+c1cc(ccc1)Sc2cn3c(c(NC(=O)OC)nc3cc2)Br	973
+c1cc(ccc1OCCBr)-c2c(C#N)c3c(n2CC)cc(cc3)OC	552
+c1cc(ccc1Cl)-c2sc3c(C(=O)N(C(=O)N3C)CCC(OC)=O)c2CBr	795
+c1cc(ccc1-c2c(c(cnc2N)Br)CC)OC	203
+c1cc(ccc1-c2c(cnn2CC(NCCBr)=O)-c3ccc(cc3)C#N)C#N	552
+c1cc(ccc1-c2c(sc(Br)c2)CO)Cl	407
+c1cc(ccc1OC)-c2c(oc3ncnc(c23)NCCCCCC(OC)=O)Br	1314
+c1cc(ccc1-c2c3c(cc(CBr)cc3)nc(C#N)c2)F	29
+c1cc(ccc1-c2cc(C(=O)OC)nc3c(c(ccc23)CBr)F)F	29
+c1cc(ccc1-c2cc(CBr)cc(c2)Br)F	543
+c1cc(ccc1F)-c2c(Br)c3cccc(Cl)n3n2	3654
+Fc1cccc(F)c1CN2n3c(c(CBr)c(c3)-c4ccc(cc4)[N+](=O)[O-])C(N(c5cccc(c5F)OC)C2=O)=O	223
+c1cc(ccc1-c2c(ncnc2)C#N)CBr	29
+c1cc(ccc1F)-c2c(Br)c(nn2C)C	875
+c1cc(ccc1-c2nc(cc(OC)n2)C)CBr	29
+c1cc(ccc1-c2oc3cccc(CBr)c3n2)Cl	223
+c1cc(ccc1-c2c(c3c(o2)cc(N(S(=O)(=O)C)C)c(-c4ccc5ncc(Br)n5c4)c3)C(NC)=O)F	973
+c1cc(ccc1-c2c(CBr)cc(s2)C(=O)c3occc3)F	795
+c1cc(ccc1[N+](=O)[O-])-n2c(c3c(n2)N(Cc4c(F)cccc4F)C(N(c5c(c(ccc5)OC)F)C3=O)=O)CBr	299
+c1cc(ccc1C#Cc2cc3c(OC(C)(C)CC3(C)C)c(CBr)c2)CC(=O)OC	543
+c1cc(ccc1-c2oc(cc2)Br)C#N	1314
+c1cc(ccc1C#N)Oc2cc(c(cc2Br)F)OC	38
+c1cc(ccc1Oc2c(C(C)CC)c(OC)ccc2Br)C#N	38
+c1cc(ccc1C#N)Oc2ncc(CBr)cc2	223
+c1cc(ccc1C(C2CCC2)=O)CBr	29
+c1cc(ccc1C(=C)CBr)F	6212
+c1cc(ccc1C(C)=O)CBr	29
+c1c(ccc(N)c1Br)C(=O)C	38
+c1cc(ccc1C(O)=O)-c2sc(cc2)Br	407
+c1cc(ccc1C(OC)=O)C#CBr	6213
+c1cc(ccc1C(c2c(ccc(Br)c2)Cl)=O)CBr	29
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(CBr)n3nnnc3	6214
+c1cc(ccc1C(c2cc(CBr)ccc2)=O)Cl	29
+c1cc(ccc1Cl)C(=O)c2cc(Br)ccc2N	38
+c1cc(ccc1-c2c(F)cccc2)CBr	29
+c1cc(ccc1CBr)-n2cc(c(Cl)c2C#N)Cl	29
+c1cc(ccc1CBr)C(=O)Cl	29
+c1cc(ccc1OC(C(OC)=O)c2ccccc2Cl)CBr	29
+O=S(=O)(CC)c1ccc(cc1)CBr	29
+C1CC(CCO1)c2cc(c(cc2)OC)Br	38
+c1cc(ccc1C=CC(=O)OC)CBr	29
+c1cc(ccc1S(=O)(=O)C2CCOCC2)C(Br)C(OC)=O	2542
+c1(cc(c(cc1)CC)Br)C=O	38
+c1cc(ccc1C(C)Br)[N+]([O-])=O	3658
+Nc1ccc(CCC(N)=O)cc1Br	38
+c1cc(ccc1C(Br)CCOC)Cl	3658
+c1cc(ccc1CNC(=O)c2cc(c(Cl)nc2N)Br)OCc3ccccc3	203
+c1cc(ccc1-c2ccc(F)cn2)CBr	543
+c1cc(ccc1Cl)Cc2c([nH]c3c2cccc3)Br	2539
+c1cc(ccc1-c2c(CBr)cnc(F)c2)Cl	223
+c1cc(ccc1-c2c3c4c(cc2Br)ccc5c4c(ccc5)cc3)Cl	38
+c1cc(ccc1Cl)-c2n(c(C(CC)=O)c(c2C)Br)CC	986
+c1cc(ccc1-n2c(nc(Cl)c2-c3c(F)c(C#N)ccc3F)Br)Cl	866
+c1cc(ccc1Cl)C(c2c(Cl)cc(CBr)cc2)=O	29
+c1cc(ccc1Cn2ncc(-c3c(Br)sc(n3)Nc4ccccn4)c2)OC	617
+c1cc(ccc1-c2c(Br)n3c(n2)CCCC3)F	984
+c1cc(ccc1F)CNC(c2sc(Br)cc2C)=O	407
+c1cc(ccc1N2N(C)C(C)=C(C2=O)Br)F	6215
+C1CC2CCN1CC2Oc3nnc(-c4ccc(c(c4)Br)N)cc3	38
+O=S(=O)(CCc1ccc(N)c(c1)Br)N(C)C	38
+c1c(Br)c(ccc1C(=O)OCC)O	38
+c1cc(ccc1-c2cc(CCC)cc(Br)c2N)OC	38
+c1cc(ccc1OC)-c2c(Br)oc(CBr)n2	6216
+c1cc(ccc1OC)COc2c3n(c(c(n3)C)Br)cc(N4C(C=CC=C4)=O)c2	973
+c1cc(ccc1OC)N2C=C(c3cc(ccc3C2=O)OC)Br	2538
+c1cc(ccc1S(=O)(=O)N(c2c(cccc2C(OC)=O)CBr)C)OC	29
+c1cc(ccc1OCc2ccccc2)N(C(c3c(C)n(c(c3)Br)C)=O)C	653
+c1cc(ccc1Oc2cccc3c(O)c(C(OC)=O)nc(Br)c23)OC	408
+c1cc(ccc1Cl)Oc2ccc(cc2)C(C(OC)=O)Br	2542
+c1cc(ccc1CBr)Oc2c(cccc2)C(=O)OC	29
+c1cc(ccc1OC)-c2ccc(cc2)S(=O)(=O)Nc3c(Br)c(no3)C	2536
+c1cc(ccc1Cl)Sc2ncnc(C(Br)C)c2F	6217
+c1cc(ccc1-c2ccc(CBr)c(C(=O)OC)c2)[N+]([O-])=O	29
+c1cc(ccc1-c2c(c(C(=O)OC)[nH]c2Br)-c3ccncc3)F	653
+c1cc(ccn1)-c2cc(c3ccncc3c2)Br	38
+c1cnccc1-c2c(-c3occc3)nc(c(n2)Br)N	439
+c1(F)nc(NCc2c(Cl)cccc2)ccc1Br	203
+c1(cc2N(C(CCc2cc1Br)=O)C)F	38
+c1(F)c(cc2CCCOc2c1)Br	38
+C(c1cccc2ccc(cc12)F)Br	29
+c1ccc2c(cc3c(ccc(c3)CBr)c2)c1	29
+BrCc1c2c(ccc1)cccc2C	29
+c1cc(c(C)cc1Br)OCC(OC)=O	38
+N12CCCc3cc(cc(CC1)c23)Br	38
+c1ccc2c(sc(-c3c(N)ncc(c3)Br)n2)c1	203
+c1ccc2c(c(C(=O)OC)sc2c1)CBr	795
+C1(=O)c2ccccc2C(=O)N1C(C(F)F)CC(CBr)=C	2534
+c1nc2c(Cl)nc3ccccc3n2c1Br	6218
+c1ccccc1-c2cc(CBr)ccc2C(=O)O	29
+c1cc(ccc1)-c2c(c(C(OC)=O)c3c(cccc3)n2)CBr	223
+c1ccccc1-c2ccc(N)c(n2)Br	408
+c1cc(ccc1)-c2c(n3-c4cccnc4Nc5ccccc5-c3n2)Br	984
+c1ccccc1-c2nc3c(ccc(CBr)c3)o2	29
+c1ccccc1-c2ccc(cn2)-c3n(c(Br)nn3)-c4ccccc4Br	3647
+c1ccccc1-c2c3cc(CBr)ccc3no2	29
+c1ccccc1-c2nc3c(s2)cccc3CBr	223
+c1cc(ccc1C(=O)c2ccccc2)CBr	29
+c1cc(ccc1)C(CCBr)c2cccc(OC)c2	552
+c1ccccc1C=2C(N(c3c(nc(c(c3C=2)O)C(OC)=O)Br)CC4CCCCC4)=O	408
+c1ccccc1CC=2C(=O)N(Cc3ccccc3)c4c(nc(C(=O)OC)c(c4C=2)O)Br	408
+c1cc(ccc1)C2=Cc3c(c(C(=O)OC)nc(Br)c3N(Cc4ccccc4)C2=O)O	408
+c1ccccc1CNC(c2sc(Br)cc2C)=O	407
+c1ccccc1CNC(c2oc(Br)cc2C)=O	1314
+c1ccccc1CNC2=C(C(=O)N(C=C2)Cc3cccc(c3)F)Br	6219
+c1ccccc1COC(N2C(c3n4c(c(Cl)ncc4)c(Br)n3)CCC2)=O	794
+c1ccccc1COC(=O)N2C(C#N)CC(CC2)c3nc(Br)c4c(Cl)nccn34	794
+c1ccccc1COc2c(CC)cc(Br)c(c2)OC	38
+C1CCC(C1)c2c(Br)ccc(OCc3ccccc3)c2	38
+c1ccccc1COc2ccc3c(c(nc(Br)c3c2)C(=O)OCC)O	408
+c1ccccc1COc2cc(C(C)C)c(cc2)Br	38
+c1cc(ccc1)N2N(C(=C(C2=O)C(=O)OC)CBr)C	1093
+c1ccccc1N2C=C(CBr)C(c3c2cc(cc3)Cl)=O	6220
+c1cc(ccc1Nc2c(cc3c([nH]cn3)c2F)C(OC)=O)Br	38
+c1cc(ccc1Br)Nc2c(cc3[nH]cnc3c2Cl)C(=O)OC	38
+C1CC1C(=O)N2c3c(CCC2C)c(Oc4ccccc4)c(cc3)-n5ncc(Br)c5	875
+c1cc(ccc1)Oc2ccc(c(C)c2)Br	38
+c1cc(ccc1)Oc2cccc(CBr)c2OC	29
+O=S(=O)(c1ccccc1)n2c(CBr)c(C(=O)OC)c3c2ncc(Br)c3	299
+c1cc(ccc1)S(=O)(=O)n2cc(Br)c3cc(cnc23)-c4cnn(C)c4	1978
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3ccc(c(CBr)c3)Cl	29
+c12c([N+]([O-])=O)cccc1n(CC)cc2Br	986
+C(c1ccc(-c2occn2)cc1Cl)Br	29
+C(c1nccs1)N2C(C(Br)=CC(C(=O)OC)=C2C)=O	3644
+n1cccnc1-c2c(N)ncc(Br)c2	203
+c1nn(C)c2CCCC(c3n4ccnc(Cl)c4c(Br)n3)c12	794
+n1cn(C)c(Br)c1-c2cc(C#N)ccn2	984
+Cc1nc2n(c1Br)ccnc2Cl	973
+n1c(C#N)cn2c(cnc2c1SC)Br	973
+c1(C)nc(nc(C)c1Br)O	1583
+CCc1c(O)nc(C)c(Br)c1	203
+n1c(Cl)c(c(nc1Br)Cl)N	6221
+c1c(c2c(cc1F)nc(c(OC)n2)OC)CBr	223
+o1c(Br)ccc1-c2nc(cc(Cl)n2)-n3nccc3	1314
+Nc1ncc(C(=O)OC)nc1Br	439
+[N+](c1cc(Br)c2c(cccn2)c1)([O-])=O	6222
+n1c2c(n(c1-c3cc(Br)cnc3N)-c4cccc(c4F)F)ccnc2	203
+n1c2cccc(C(=O)OC)c2oc1-c3cc(Br)cnc3N	203
+c12c(c3c(cccc3)c(n1)CBr)cccc2	299
+n1cc(N)nc(-c2cc(F)ccc2)c1Br	439
+n1c(ccc(CBr)c1)F	223
+c1(Cl)nc(NC(COC)C)cnc1Br	439
+c1nc(ncc1)-c2cccc(c2)CBr	29
+n1n(c(nn1)-c2cc(Br)cnc2N)-c3cccc(c3F)F	203
+n1sc2c(c1-c3cc(CBr)ccc3)ncnc2O	29
+n1c(-c2nc(cnc2N)Br)oc3c1cncc3	439
+o1c(ncc1CBr)C(OCC)=O	3652
+c12c(cc(C#N)cc1)c3c(o2)c(c(O)c(F)c3)Br	6223
+o1c2c(c(c(cc2)Br)O)c(C)c1C(=O)OCC	38
+s1c(-c2ncc(CBr)cc2)nc3ccccc13	223
+c1(Br)sc2c(ccs2)c1C	407
+c1(Br)cnc(s1)-c2cc(c(F)cc2)C#N	617
+CC(C)C(C(=O)NC(C)C(O)=O)NC(=O)OCC=C	2445
+CC(C)(C)OC(=O)NOCCCCNC(COc1ccc2C(=CC(Oc2c1)=O)C)=O	1280
+c1(ccccc1Cl)-c2cc(OC)cc3N(c4c(ccc(C(=O)OC)c4)C)C(=O)CCc23	11
+C1CN(CCN1CC)Cc2c(C)cc(C(NC3C4c5c(ccc(Oc6ccnc7NC(CCc67)=O)c5)OC34)=O)cc2	14
+C1CN(CCN1Cc2ccc3ccccc3n2)CCCOc4ccc(C)c5NC(=O)CCc45	72
+C1CCCCC1c2cc(c(C(=O)CCC(O)=O)cc2)OC	882
+C1CN(CCN1C(CCC(O)=O)=O)c2nc(c([N+](=O)[O-])c(n2)N3CCS(CC3)=O)OCC	6224
+C(C(c1cc2CCOc2cc1)=O)CC(=O)O	882
+CC(C)(C)NC(CCC(O)=O)=O	2439
+CC(C)(C)OC(N1CCN(CC1)CCOC(=O)CCC(O)=O)=O	996
+CC(C)=CCCC(CCOC(=O)CCC(O)=O)C	996
+C1(=O)CCC(=O)N1CP(=O)(OC)CC(CC(C)C)C(NC(C(NC)=O)CC(C)C)=O	3566
+CN(C)CC(OCCCCCCCCC=CCC=CCCCCC)COC(CCC(O)=O)=O	996
+c1c(NC(CCC(=O)O)=O)c(c(C)cc1)C	1979
+c1c(c2c(cccc2)cc1)NC(CCC(=O)O)=O	1979
+O=S(=O)(N)c1c(cc(NCc2occc2)c(C(OCCCOC(CCC(=O)O)=O)=O)c1)Cl	996
+c1(F)cccc(F)c1Nc2n(c3c(n2)cnc(NC4CCC(CC4)OC(=O)CCC(=O)O)n3)C5CCCC5	996
+c1c(cc(c(OC)c1)OC)C(=O)CCC(O)=O	882
+C(C(c1cc(CC)c(cc1)OC)=O)CC(=O)O	882
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+C1CC(Cc2[nH]c3c(c12)c(ccc3C(=O)N)Br)C(N(OC)C)=O	164
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+c1c2NC(C(CCc2c3ccccc3c1)N)=O	1584
+C12CC(CCC1(C)C3C(O)CC4(C(CCC4C3CC2)C(O)=O)C)O	100
+C1CC(C(OCC)=O)Cc2sc3ncnc(c3c12)Nc4cc5c[nH]nc5cc4	1500
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+C1CC(CCC1(C)C)CNCc2ccccc2	110
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+c12CCC3C4CCC(C4(C)CCC3c1ccc(OC)c2)=C	297
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+C1CC(CCC1(C)C)c2sc3nc(nc(c3c2)CO)C	194
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+C1CC(CCC1(C)C)c2cc3c(nc(C)nc3s2)C(=O)N4CCC(CC4)(O)C	147
+C1CC(CCC1c2cc3c(nc(nc3Cl)C)s2)(C)C	779
+C1CC(CCC1O)(C)O	100
+C1CC(CCC12CC(NC2)=O)C(OCC)=O	1980
+C1CC(CCC1(F)CO)(C#N)NC(=O)OCc2ccccc2	101
+C1CC(CCC1(CO)F)(N)C#N	661
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+C1CC(CCC1(F)F)NC(c2nn(-c3c(Cl)cc(cc3)Cl)c(-c4ccc(cc4)OCc5ccccc5)c2C)=O	81
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-n2c(nc(C(NC3CCC(CC3)(F)F)=O)c2C)-c4c(Cl)cc(cc4)Cl	154
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+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c2c(C)c(C(NC3CCC(CC3)(F)F)=O)nn2-c4c(Cl)cc(cc4)Cl	154
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+FC(F)(F)c1cc2CN(CCc2cc1)C(C3(CC(NC4CCC(CC4)(c5cncs5)O)CC3)C(C)C)=O	87
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+CC(C)[Si](C(C)C)(C(C)C)OCC1(CCCCC1)N	19
+c1ccccc1CN(Cc2ccccc2)c3nc(C)c(c(NCC4(CCCCC4)O)c3[N+](=O)[O-])C	43
+C1CC(CCC1)(O)Cn2c3c(c(nc4cccnc34)N)nc2CCC	461
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+C1CC(CCC1)(N=[N+]=[N-])c2cc(C(C)C)ccc2	6235
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+C1CC2(CCC1)ON=C(c3cnc4c(c3NC5CC5)cnn4CC)C2	6236
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+C1CC(CCC1)CCCCCCO	1101
+C1CCCCC1C#Cc2cc(cnc2N)Br	2341
+C1CC(CCC1)c2cc3c(ccc(c3)[N+]([O-])=O)n2S(=O)(=O)C	3231
+C1CCCCC1C#Cc2nc(Br)cnc2N	3665
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+C1CC(CCC1)C(n2c3c(cc(c(F)c3)F)nc2-c4ccc(cc4)Cl)C(=O)OCC	6238
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+C1CCCCC1C(C2CCCCC2)CC(=O)NCC(OC(C)(C)C)=O	726
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+c1cc(ccn1)OCC(C2CCCCC2)n3c4c(nc3-c5ccc(cc5)Cl)cc(c(c4)F)F	8
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+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(-c3ccccc3)nc4c(cc(F)cc4)c2C(=O)NC(C5CCCCC5)C	619
+c1cc(ccc1)-c2nc3cc(Cl)ccc3c(C(NC(C)C4CCCCC4)=O)c2CN5CCC(CC5)N6CCCCC6	619
+C1CC(CCC1)C(NCCc2c3cc(C(=O)Cl)ccc3sc2)=O	82
+C1CC(CCC1)C(NCCc2c3c(sc2)ccc(c3)C(=O)O)=O	1144
+C1CC(CCC1)C(NCCc2c3cc(C=O)ccc3sc2)=O	674
+C1CC(CCC1)C(c2c(CC)sc(C3CCOCC3)c2)Nc4ccc(cc4)C(NCCC(=O)OCC)=O	14
+c1cc(ccc1)C(O)(C(O)=O)C2CCCCC2	4
+C1CC(CCC1)C(=O)CC#N	1982
+C1CC(CCC1)C(Nc2ccc(cc2)C(O)=O)c3c(CC)sc(C4CCOCC4)c3	1
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+C1COCCC1c2cc(C(Cl)C3CCCCC3)c(s2)CC	6240
+C1CCCCC1C(c2n(-c3ccc(cc3)Cl)nc4CCCCCc24)C(O)=O	3
+c1cc(ccc1Cl)-n2c(C(C3CCCCC3)COc4c(cc(cc4C)C(OC)=O)C)c5ccccc5n2	20
+c1ccccc1COc2ccc3c(c2)c(c(C(Cl)C4CCCCC4)o3)C	6241
+c1cc(ccc1-c2n(C(C(=O)Nc3ccc(OC4(CC4)C(OC)=O)cc3F)C5CCCCC5)c6c(cc(F)c(F)c6)n2)Cl	1294
+FC(F)(F)c1cc(C#N)ccc1NC(=O)C(C2CCCCC2)n3c(nc4cc(F)c(F)cc34)-c5ccc(cc5)Cl	33
+c1cc(ccc1-c2nc3cc(F)c(cc3n2C(C(Nc4c(cc(cc4F)C(=O)OC)F)=O)C5CCCCC5)F)Cl	1294
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+c1cc(ccc1Cl)-c2nc3c(cc(c(F)c3)F)n2C(CO)C4CCCCC4	44
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+CC(C)(C)OC(NCCN(CC1CCCCC1)S(=O)(=O)c2ccccn2)=O	831
+C1C2CN(CC2CC1(C#N)CC3CCCCC3)C(N(C)C)=O	2455
+C1CC(CCC1)Cn2c3c(cc2)cccc3OC	339
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+C1CC(CCC1)COc2cccnc2N	458
+C1CCCCC1CN2CCCCC2=O	638
+C1CC(CCC1)COc2c(ncc(C)c2)[N+](=O)[O-]	458
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+C1CCCCC1Cc2cn(C3C4OCC(N=[N+]=[N-])C4OC3)nn2	642
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+C1CC(CCC1)CC(=O)Nc2c(ccc3nc(N4CCC(C4)NCCC(O)=O)ccc23)Cl	479
+CC(C)(C)OC(=O)CCCNc1nc2ccc(Cl)c(c2cc1)NC(=O)CC3CCCCC3	554
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+C1CC(CCC1)CC2OC(C=C2O)=O	3668
+C1CC(CCC1)CCCC(CC(NO)=O)c2nc(no2)C(N3CC(C3)C(=O)O)=O	4
+C1CC(CCC1)CCCC(CC(NO)=O)c2nc(no2)C(=O)N3CC(C3)N(C)C	3669
+C[Si](C)(C)ONC(=O)CC(c1onc(n1)C(N2CC(C2)C(OC)=O)=O)CCCC3CCCCC3	293
+CCOP(OCC)(CCCCCCCCCCCCC1CCCCC1)=O	1586
+C1CC(CCC1)CCCCCCCCCCCCOCC2CO2	649
+C1CC(CCC1)CCCCCCCCCCCCO	168
+O=S(=O)(OCC(COCCCCCCCCCCCCC1CCCCC1)OC)C	7
+c1cc(ccc1)COCC(COCCCCCCCCCCCCC2CCCCC2)O	850
+C1CC(CCC1)CCCCCCCCCCCCP(O)(O)=O	228
+C1CCCCC1CCC=O	24
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+C1CCCCC1CN(CC)c2nc3c(cc2CO)ccc(c3)F	269
+C1CCCCC1CN2C(C(=CC(C(OC)=O)=C2CN(S(=O)(=O)c3ccc(cc3)C)CC(=O)OC)Br)=O	3551
+C1CCCCC1CN2C(C(O)=O)CC(NC(=O)c3c(O)c4c(cccc4)cc3)C2	4
+C1CC(CCC1)CN2C(C(=O)NCCC)CC(NC(=O)c3c(O)c4c(cccc4)cc3)C2	248
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+C1CN(CCN1CCC2=NNC(=O)N2CC3CCCCC3)c4cc(ccc4)NC(C)=O	26
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+C1CN(CCN1c2cc(ccc2)[N+](=O)[O-])CCC(NNC(=O)NCC3CCCCC3)=O	1829
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+C1CC(CCC1)Cn2c3c(c(-c4nc(C)c(CO)s4)c2)cccc3OC	1503
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+C1CCCCC1N2C(C(C(=O)NCC(O)=O)C(=O)N(C3CCCC3)C2=O)=O	3
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+FC1(F)CN(c2c(cnc(Cl)n2)N(C1=O)C)C3CCCCC3	998
+C1CC(CCN1C)NC(=O)c2cc(F)c(cc2)Nc3nc4N(C5CCCCC5)CC6(CC6)C(=O)N(C)c4cn3	55
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+C1CCC(C1)N2C(=O)N(C(CC2=O)=O)C3CCCCC3	1984
+CC(C)(C)[Si](C)(C)OC1C2C(C(CO2)NC(NC3CCCCC3)=O)OC1	588
+CC(C)(C)c1ccc(cc1)CN2C(CC(=O)N(C3CCCCC3)C2=O)=O	1984
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+FC(F)(F)S(=O)(=O)OC1COC2C(NC(NC3CCCCC3)=O)COC12	1932
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+C1CCCCC1NC(=O)c2ccc(Cl)nc2OCCc3ccc(cc3)F	91
+C1CC(CCC1)N2c3c(ccc(c3)I)C(C(C(=O)OCC)=C2)=O	6259
+O(C)C(OC)CN(C1CCCCC1)C(CCOCCc2cc(Br)ccc2)=O	10
+FC(F)(F)C(F)(F)C1=NN(C2CCCCC2)C(c3cccc(-c4ccc(cc4)SC)c3)C1	6260
+C1CCCC1N2c3c(cc(F)c(NC4CCCCC4)c3)C(C(Oc5ccc(cc5)C#N)=C2)=O	6261
+C1CC(CCC1)Nc2c(cc(-c3[nH]nnn3)cc2)N	0
+C1CC(CCC1)N2C(C(=O)Nc3cc(Cl)ccc23)=O	2548
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+C1CCCCC1Nc2c3c(n(C4OCCCC4)cn3)nc(Cl)n2	3673
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+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1c2ccc(c(Cc3ccc(cc3)OCCOC4CCCCC4)c2)Cl)CO[Si](C)(C)C	6263
+C1CC(CCC1)ON=C(c2nc(N)sc2)C(=O)OCC	1145
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(=O)C(=NOC4CCCCC4)c5nc(NC=O)sc5)=O	471
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+C1CC(CCC1)Oc2c(cc(-c3cc(Cl)nnc3CCCC)cc2)Br	218
+C1CC(CCC1)Oc2ccccc2NS(=O)(=O)C	80
+C1CCCCC1Oc2cc(ccc2NS(=O)(=O)C)[N+](=O)[O-]	77
+C1CC(CCC1)SC(=O)CCC(F)(F)Cl	6265
+C1CCCCC1Sc2c(cccc2)C=O	411
+FC1(F)CCC(CC1)C(O)C2CCCCC2	6266
+C1CC(CCC1)c2[nH]c3c(nc(cn3)-c4ccc(cc4C)S(=O)(=O)N(C)C)c2	6267
+C1CC(CCC1)c2ccc(cc2C#N)CO	88
+CC(C)(C)OC(N1CCC(CC1)OC(Nc2ccccc2C3CCCCC3)=O)=O	589
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+C1CC(CCC1)c2c3ccc(C(=O)NS(=O)(=O)C4CC4)cc3n5CC(C(=O)OC)=Cc6cc(OC)ccc6-c25	258
+CC(C)(C)OC(=O)NCCC(=O)N(C1Cn2c3cc(C(OC)=O)ccc3c(c2-c4ccccc4OC1)C5CCCCC5)C	10
+C1CC(CCC1)c2c-3n(c4cc(C(OC)=O)ccc24)CC(N(CCCN)C)COc5c-3cccc5	15
+C1CC(CCC1)c2c3ccc(C(=O)OC)cc3n(CCC(OC)=O)c2-c4ccccc4CNCCN(C)C	42
+CN(C)CCN1C(CCn2c(c(c3ccc(C(=O)OC)cc23)C4CCCCC4)-c5ccccc5C1)=O	10
+C1CC(CCC1)c2c3ccc(C(=O)NS(=O)(=O)C4CC4)cc3n5c2-c6ccc(cc6C=C(C(O)=O)C5)OC	127
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+C1CC(CCC1)c2c([nH]c3c2ccc(C(OC)=O)c3)-c4ccccc4CCO	168
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+C1CCCCC1c2ccc(O)c(C(O)=O)c2	6269
+C1CC(CCC1)c2cc(c(cc2)OCCCOc3cc(C(C(OCC)=O)O)ccc3)CCC	8
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+C1CC(CCC1)c2cc(c(cc2)OCCCOc3cc(ccc3)C(C(=O)OCC)Cl)CCC	6270
+C1CCCCC1c2[nH]c3c(cc([N+](=O)[O-])cc3)c2	2550
+C1CC(CCC1)c2cc(c(CC(=O)OC)cc2)OC	27
+C1CC(CCC1)c2ccc(cc2)C(CCC(O)=O)=O	3
+C1CC(CCC1)c2ccc(cc2)CCCC(=O)O	165
+C1CC(CCC1)c2ccc3c(C(CCC3)=O)c2	214
+CC(C)(C)OC(N(Cc1ccc(cc1)C(OC)=O)c2ccc(cc2)C3CCCCC3)=O	603
+C1CCCCC1c2ccc(O)c(C(C)=O)c2	214
+C1CC(CCC1)c2ccc(cc2C#N)COc3ccc4c(c5CCC(c5[nH]4)CC(OCC)=O)c3	139
+C1CC(CCC1)c2ccc(cc2C#N)CCl	109
+C1CC(CCC1)c2ccc(cc2C#N)COc3ccc4c(c5c(C(CC(=O)O)CC5)[nH]4)c3	3
+C1CC(CCC1)c2cc3C(=O)C(C(=O)OC)CCc3cc2	1985
+C1CC(CCC1)c2n(CC)c3ccc(N)cc3c2	0
+C1CCCCC1c2n(cc(C)n2)-c3cc(-n4c(C5CCCCC5)nc(C)c4)ccc3[N+](=O)[O-]	431
+C1CCCCC1c2sc(nn2)NC(=O)N(C)N	2551
+C1CCCCC1c2nc(C)c(C(=O)OCCC(C)=C(F)F)s2	1986
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c2nc3cc(C#N)ccc3n2C4CCCCC4	154
+C1CC(CCC12C(C(c3cc(ccc3)C)=C(c4cn5ncnc5cc4)O2)=O)N=[N+]=[N-]	6271
+O=S(=O)(NC1CCC2(CC1)C(C(c3cc(ccc3)C)=C(c4cn5ncnc5cc4)O2)=O)C	111
+CC(C)(C)S(=O)N=C1c2cc(c(cc2CC13CCC(CC3)OC)F)Br	2552
+C1CC(CCC12C(=O)C(c3cc(ccc3)C)=C(c4cn5ncnc5cc4)O2)N	18
+c1cc(ccc1)N2CC3(CCC(CC3)C(OCC)=O)CC2=O	883
+C1CC(CCC12CC2)COc3c(C(=O)OCC=C)cnc(n3)C#N	738
+C1CC(CCC12CC2)COc3nc(ncc3C(=O)O)C#N	6272
+C1CC2(CCC1O)Cc3ccc(cc3C2=O)OCCCF	100
+CC(C)(C)OC(=O)c1c(F)cc(OCC2(CCC3(CC2)OCCO3)C)c(Cl)c1	57
+O1CCOC12CCC(CC2)(CC)COS(=O)(=O)c3ccc(cc3)C	36
+C1CC(CCC1=O)(O)c2ccc3c(OCO3)c2	97
+C1CC(CCC12OCCO2)(c3ccc(OCc4ccccc4)cn3)O	483
+C1CC(CCC1=O)(O)c2ncc(cc2)OCc3ccccc3	97
+C1COC2(O1)CCC(CC2)CC#N	3674
+C1CC(CCC1=O)=CCC(C)C	97
+C1COC2(CCC(CC2)(C(=O)OC)CC)O1	3675
+C1CC(CCC1C2CCC(CC2)=O)c3c(cc(cc3)C4CCC(CC4)CCCCC)F	97
+C1CC(CCC1CC(=O)OC)=O	97
+C1CC(CCC1CC(OCC)=O)=O	97
+C1COC2(CCC(CC2)CCO)O1	44
+C1CC(CCC1=O)COc2c(F)cc(cc2)S(=O)(=O)C	97
+C1CC(CCC1=O)N(C(OCc2ccccc2)=O)CC	97
+O1CCOC12CCC(CC2)N(C(C3CCC(CC3)C)=O)c4ccsc4C(OC)=O	1987
+C1CC(CCC1c2ccc(cc2OCOC)OCOC)=O	97
+O1CCOC12CCC(CC2)c3nc(-c4cc(c(C(NCc5ccccc5)=O)cc4)F)c(nc3)N	356
+C1CC(CCC1C=CCCC)C=O	1143
+FC(F)(F)c1ccc(nc1)Nc2cccc(C=C3CCC(CC3)NC(c4cccnc4)=O)c2	201
+C1CC(CCC1(C)C)(c2ccc(cc2)OCc3ccccc3)O	251
+C1CC(CCC1(C)C)=COC	6273
+FC(F)(F)c1cc(C(NCC(NC2CN(C2)C3CCC(CC3)(c4cc5OCOc5cc4)O)=O)=O)ccc1	85
+CC(C)(C)OC(=O)N1CCN(CC1)C2CCC(CC2)(Cc3ccccc3C)OC	85
+C1CC(CCC1(c2cc(ccc2F)F)C#N)O	100
+C1CC2(CCC1(c3ccc(cc3)Br)C(=O)OC)OCCO2	381
+c1cc(ccc1F)C2(CCC(CC2)=O)C(O)=O	1588
+FC(F)(F)c1cc(C(NCC(NC2CN(C2)C3CCC(CC3)(O)c4ccc(nc4)F)=O)=O)ccc1	85
+C1CC(CCC12SCC(C(=O)O)N2)=CCC(C)C	6274
+CN(C)C1(CCC(CC1)C(Cc2ccccc2)OC(OCC)C)C#N	735
+C1CC(CCC1=O)C(Cc2ccccc2)OC(OCC)C	3399
+C1CC(CCC1NC2CC2)C(OCC)=O	87
+C1CC(CCC1C(OCC)=O)=CC(=O)OCC	3676
+C1CC(CCC1(O)C=C)C(OCC)=O	6275
+C1(C)CC(CCC1=O)C(OCC)=O	6276
+O1CCOC12CCC(CC2)C(OCC)=O	381
+C1CC(CCC1(c2c(cc(Br)cc2)C)O)C(=O)OCC	3677
+C1CC(CCC1C=C)(O)c2ccc(c(c2F)F)OCC	251
+C1CC(CCC1=COC)C=CCCC	2553
+c1ccccc1C(NC(=O)CC2CCC(CC2)=O)C	9
+CC(C)(C)[Si](C)(C)OC=1CCC(COc2ccc(S(=O)(=O)C)cc2F)CC=1	3678
+C1CC(CCC1N(C)C)(O)c2cccc(Br)c2F	1589
+C1CC(CCC1N(C)C)(c2cc(cc(F)c2)Br)O	251
+CC(C)C(NC1Cc2c3cc(ccc3[nH]c2CC1)OC)=O	518
+C1CC(CCC1O)Oc2cc3CCC(Oc3cc2)c4ccccc4	100
+C1CC(CCC1CCCCC)c2ccc(C3(CCC(CC3)c4c(c(c(cc4)OCC)F)F)O)c(F)c2F	1589
+CC(C)[Si](C(C)C)(C(C)C)OC1=CCC(CC1)c2c(cc(c(F)c2)F)F	3678
+C1CC(CCC1c2nc(ccc2F)C(OC)=O)O	100
+CC(C)(C)C#Cc1sc(c(c1)NC2CCC(CC2)n3nncc3)C(=O)OC	2554
+C1CC(CCC1N(c2ccc(nn2)Cl)C)C#CCO	212
+C1CC(CCC1C2=NC(=O)ON2)C(OC)=O	1988
+C1CC(CCC1CCC)C(CC(OCC)=O)=O	6277
+C1CC(CCC1C(=O)OCCCC)C(O)(C)c2sccn2	3679
+BrC(Br)=CC1CCC(CC1)C(OCC2(COC2)CCC)=O	204
+FC(F)(F)c1ccc2c(C(CC(N2C(=O)C3CCC(CC3)CC(=O)OCC)CC)NC(=O)OCc4ccccc4)c1	192
+C1CC(CCC1C(C)=O)CN2Cc3c(C2=O)c(c(cc3)O)F	591
+C1CC(CCC1C(=O)C)OCc2ccccc2	2555
+C1CC(CCC1CN2C(N(c3ccccc3C2=O)C)=O)C(=O)N4CCN(CC4)C(CCC)=O	58
+CC(C)NC(=O)C1CCC(CC1)Nc2cc(Cl)ncc2[N+](=O)[O-]	105
+c1ccccc1COC(=O)N(CCOC)C2CCC(CC2)C(NCc3nccnc3Cl)=O	613
+C1CC(CCC1C(NCC)=O)CC(=O)OCC	9
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)C(=O)O)ccc(Br)c1	71
+C1CC(CCC1C(=O)O)CNC(OCc2ccccc2)=O	101
+FC(F)(F)c1cc(ccc1)C(=O)CNC(=O)C2CCC(CC2)CNC(=O)OCc3ccccc3	612
+C1CC(CCC1CNC(=O)OCc2ccccc2)C(NCc3nccnc3Cl)=O	9
+C1CC(CCC1CO)C(=O)OC	27
+C1CC(CCC1C(OCc2ccccc2)=O)CO	283
+C1CC(CCC1NC(c2cc(cnc2C)Cl)=O)CO	21
+C1CC(CCC1Nc2nc(c(C)cn2)N(C)C)C(=O)NC(C)c3ccc(cc3)C	9
+C1CC(CCC1C(=O)N2CCC(CC2)N(C)C)Nc3nc(ccn3)-n4ccc5c4cccc5OCCCS(=O)(=O)C	10
+C1CCCN(CC1)c2nc(nc(NC)n2)NC3CCC(CC3)C(O)=O	387
+C1CC(CCC1CN2c3cc(c(cc3N(C)C2=O)F)OC)C(=O)O	4
+C1CC(CCC1C(=O)OC)CNc2cc(OC)c(cc2N)F	0
+C1CC(CCC1CN2c3c(cc(c(OC)c3)F)NC2=O)C(=O)OC	1989
+C1CC(CCC1Cc2c(F)cccc2)C(=O)O	4
+C1CC(CCC1C(=O)O)NC(c2cc(cnc2C)Cl)=O	4
+C1CC(CCC1COC)NC(c2cc(cnc2C)Cl)=O	21
+c1cc(ccc1)[Si](c2ccccc2)(OCCOC3CCC(CC3)C(=O)OC)C(C)(C)C	328
+CC(C)(O)c1c2ncc(-c3ccnc(NC4CCC(CC4)C(=O)OCC)n3)n2ccc1	306
+C1CC(CCC1C(=O)OCC)Nc2nc(c(C)cn2)N(C)C	96
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+C1CC(CCC1C(=O)OCC)Nc2nccc(-n3ccc4c3cccc4Br)n2	306
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+FC(F)(F)C(=O)N1CCC(CC1)=O	520
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+c1ccccc1-c2[nH]c3ccccc3c2C=4CCNCC=4	888
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+c1nc(ncc1F)NCC2CCN(CC2)C(C3C(c4ccccc4)C3)=O	10
+C1CCCN1CCOCC2CCN(CC2)c3c4c(scc4-c5c(OC)cccc5)nc(n3)C6CC6	1570
+C1CCN(C1)CCOCC2CCN(CC2)c3ncc4c(c(Br)sc4n3)-c5ccccc5	117
+FC(F)(F)CN1CCC(CC1)COc2c(cc(c(F)c2)C(=O)OC)C3CC3	2532
+C1CN(CCC1COc2c(cc(c(F)c2)C(=O)OC)C3CC3)S(=O)(=O)C	112
+C1CC(CCN1CC2(CCOCC2)O)COc3c4c(OC5CCOC5)cccc4on3	170
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+CC(C)(C)OC(=O)NC1CCC(CC1)CCC(N2CCC(CC2)Cc3c(ccc(OC)c3)Br)=O	10
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+CC(C)(C)OC(=O)NC1CC(CN2CCC(CC2)Cc3ccccc3)CC1	236
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+C1COCCN1c2c3c(cc(CN4CCC(CC4)Cn5ccnc5C)s3)nc(Cl)n2	509
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+C1CN(CCC1F)c2ccn3c(n2)nc4ccccc34	3698
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+CC(C)(C)OC(=O)N1CCC(CC1)N2c3ccccc3NC2=O	23
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+c1cc(ccc1Cc2ccccc2OCCCN3CCC(CC3)N4c5ccccc5NC4=O)C(N(CC)CC)=O	28
+c1ccccc1CN(Cc2ccccc2)CCCCN3CCC(CC3)N4c5ccccc5NC4=O	61
+C1CC(CCN1CCCCn2cnc3c2cccc3)N4c5c(cccc5)NC4=O	53
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+FC(F)(F)c1ccc(cc1)-n2cc(cc2)CN3CCC(CC3)NC(CSc4cccc(Cl)c4)=O	565
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+FC(F)(F)C(=O)N1CCC(CC1)c2ccc(cc2)[N+]([O-])=O	520
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+C1CC(CCN1C)c2ccc(cn2)Nc3nc(c(cn3)C)CCc4ccccc4CC(=O)N	113
+CC(C)(C)OC(N1C(C)(C)CCC1C(c2ccc(cc2)Cl)C(=O)N3CCC(CC3)c4c5C(C)CCc5ncn4)=O	10
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+C1CC(CCN1c2nc(C(C)C)no2)C3CC3CCO	880
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+C1CN(CCC1CCCO)c2onc(n2)CCC	880
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+C1CNCCC1N2CCc3c2cccc3	215
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+C1CNCCC1CN2CCCc3cc(-c4cn(C5CCCCO5)nc4)ccc23	62
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+C1CC(CCN1)Cn2ccc3nc(ccc23)-c4cn(nc4)C5CCCCO5	62
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+c1cc(ccc1C2CCN(CC2)C(=O)c3cc(c(C)cc3)N)-c4cnn(c4)C	320
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+C1CC(CCN1CC23c4c(cccc4)C(c5ccccc25)C3)O	15
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+C1CN(CCN1c2ccc(NC(c3cc(C#N)c[nH]3)=O)c(N4CCC(CC4)C)n2)C	510
+C1CN(CCC1C)c2c(ncn2-c3c(F)cc(cc3F)F)Cl	6333
+C1CN(CCC1Oc2ccc(F)cc2F)c3c(nc4c(n3)ccnc4)NC5COCC5	1284
+C1CN(CCC1Oc2ccc(F)cc2F)c3c(NC4CC(C4)(F)F)nc5c(ccnc5)n3	1284
+C1CN(CCC1(NC(C)=O)C)c2c3c(ccc2)OCCO3	6334
+C1CN(CCC1C(=O)O)c2c3c(n(C)cc3C=O)ncc2	3
+c1cc(ccc1-c2c3cnccc3c(N4CCC(CC4)C(NCC(C)C)=O)nc2-c5ccnc(Cl)c5)F	1151
+C1CC(CCN1c2nc(Cl)nc(C(O)=O)c2)c3n[nH]c4ncccc34	1
+C1CCCCC1Nc2c3c(nc(Nc4ccc(N5CCC(CC5)N6CC(CCC6)O)cc4OC)n2)nc[nH]3	3704
+C1CN(CCC1C)c2cc(C(=O)Nc3ccc(OCC#N)c4ccccc34)cc(c2)F	67
+CC1(C)OB(OC1(C)C)c2cc(N3CCC(CC3)N(C)C(C)=O)ccc2	17
+C1CN(CCC1NC(=O)c2[nH]c(c(c2Cl)Cl)C#N)c3cc(nc4ccccc34)C(OC)=O	1938
+CC(C)COC(=O)N(C1CN(C(C2CCN(CC2)c3ccc(C#N)cn3)=O)CC1c4ccc(cc4)Cl)C	66
+CC(C)(C)OC(=O)N(C)C1C(c2ccc(cc2)Cl)CN(C1)C(C3CCN(CC3)c4ccc(C#N)cn4)=O	10
+c1cc(ccc1Cl)C2CN(CCC2C(Nc3ncc(cc3)C#N)C)C(C4CCN(CC4)c5ccc(cn5)C#N)=O	10
+C1CN(CCC1=CCO)c2ccc(Cl)c(c2)OC	2569
+C1CC(CCN1c2cc(OC)c(Nc3nc(c4c(n(C5OCCCC5)cn4)n3)NC6CCCCC6)cc2)N7CCCC(C7)O	55
+C1CC(CCN1c2ccc(N)c(OC)c2)N3CC(CCC3)O	0
+C1CC(CCN1c2cc(c([N+](=O)[O-])cc2)OC)=O	86
+c1cc(ccc1C(NNC(=O)c2ccc(cc2)C(=O)OC)=O)N3CCC(CC3)(OC)CCCC	1601
+C1CC(CCN1c2ccc(cc2)C(=O)NN)(CCCC)OC	1094
+c1cc(ccc1N2CCC(CC2)(OC)Cc3c(F)cccc3)C(N)=O	1602
+C1CN(CCC1NCC(O)COc2cccc3NC(Nc23)=O)c4ccc(cc4)NS(=O)(=O)c5ccc(cc5)NC(C)=O	87
+C1CN(CCC1NCCCc2ccccc2)c3ccc(cc3)OC	15
+CN(C)C(C1CCN(CC1)c2cccc(c2)Br)=O	10
+C1CC(CCN1c2cccc(c2)Br)C(=O)O	3
+C1CC(CCN1c2c3OCCOc3ccc2)(C)O	736
+c1cc(ccc1)C2CCN(CC2)c3ccn4c(c3C#N)nnc4	2570
+C1CC(CCN1c2ccnc3ccc(F)cc23)C(CC)C(=O)O	3
+c1cc(ccc1Cl)NC(=O)C(C2CCN(CC2)c3ccnc4ccc(F)cc34)CC	33
+C1CC(CCN1c2cnccc2)=NN3CCN(CC3=O)S(=O)(=O)c4ccc5c(c4)ccc(c5)Cl	6335
+CC(C)NC(=O)C1CCN(CC1)c2nc(-c3cc(ncc3)Cl)cc4c2ccnc4	9
+c1cc(ccc1OCCC2C(C3CCN(CC3)c4onc(C(C)C)n4)C2)CC(=O)OC	20
+C1CN(CCC1CCCOc2cc(C)c(Br)cc2)c3nc(no3)C(C)C	126
+C1CN(CCC1CCCOS(=O)(=O)C)c2nc(C(C)C)no2	7
+C1CN(CCC1CCCOc2ccc(S(=O)(=O)C)c(F)c2)c3nc(no3)C(C)C	20
+O=S(=O)(c1cnc(cc1)OCCCC2CCN(CC2)c3nc(no3)C(C)C)C	430
+C1CN(CCC1CCCOc2cc(C)c(Br)cn2)c3nc(C(C)C)no3	91
+C1CN(CCC1CCCOc2cnc(C(OC)=O)cc2)c3nc(no3)C(C)C	981
+C1CC(CCN1c2nc(no2)C(C)C)n3c4cc(F)c(Br)cc4cc3	3705
+C1CC(CCN1c2c(ccc(n2)N3CCN(CC3)C(=O)CN4CCOCC4)N)C	13
+O=S(=O)(C)c1ccc(NC(=O)c2cc(Cl)ccc2)c(n1)N3CCC(CC3)CC(=O)OCC	660
+C1CC(CCN1c2cc(C(N)=O)cc(n2)Cl)NC(=O)c3[nH]c(c(Cl)c3)C	81
+C1CC(CCN1c2c(ccc(N3CCN(CC3)C)n2)[N+]([O-])=O)C	43
+C1CC(CCN1c2nc(no2)C(C)C)COc3ccc(-c4c(cc(cc4)S(C)=O)F)nc3	2571
+C1CC(CCN1c2nc(no2)C(C)C)n3ccc4cc(-c5ccc(cc5)S(=O)(=O)C)c(cc34)F	99
+C1CC(CCN1c2nc3c(c(C)c2)cc(cc3)C#Cc4ccc(-c5ccc(cc5)Cl)cn4)C	129
+C1CC(CCN1c2nc3c(cccc3)cc2)CCNC(OCC(N)=O)=O	6336
+CC(C)NC1CCN(CC1)c2nc3ccc(Cl)cc3s2	87
+C1CN(CCC1C(OCC)=O)c2nc3ccc(c(C(=O)NCCc4c(C)cccc4)c3cc2)Cl	14
+C1CC(CCN1c2nc3c(cc(cc3)I)c(C)c2)C	3706
+C1CN(CCC1=O)c2cnc(C)cn2	86
+C1CN(CCC1Nc2nc(ncc2Cl)Nc3cn(C)nc3)c4ncc(cc4)C#N	486
+C1CC(CCN1c2ncc(cn2)CC)n3ccc4c3cc(c(-c5ccc(cc5)-n6cnnn6)c4)F	99
+CC(C)(C)OC(=O)N1CCC(c2cc(c3OC(C4(CCN(CC4)c5ncc(cn5)CCC)O)Cc3c2)F)=CC1	563
+C1CC1NC2CCN(CC2)c3ncc(cn3)Cl	87
+C1CN(CCC1=O)c2cnc(CC)cn2	86
+C1CC(CCN1c2ncccc2)NC(=O)n3cncc3	2483
+CC(C)(C)OC(NC1CCN(CC1)C(=O)NC2CCN(CC2)c3ncccc3)=O	3640
+C1CN(CCC1CCNC(=O)c2cc(ccc2)C(NCC)=O)c3c4sc(cc4ncn3)C(N)=O	14
+C1CCCN1CC2(CCN(CC2)c3ncnc4nc[nH]c34)c5cccc(-c6cnn(C)c6)c5	61
+C1CC(CCN1c2ncncc2)C(N3CCNCC3)=O	25
+C1CN(CCC1C(=O)N2CCN(CC2)C(c3ccc(cc3)C#N)=O)c4ccncn4	115
+C1CC(CCN1c2nnc(-c3cnn(c3)CCOCC)cc2)N4CCc5ccc(cc45)F	338
+C1CC(CCN1c2nnc(-c3c[nH]nc3)cc2)N4CCc5ccc(cc45)F	3707
+C1CC(CCN1c2ccc(nn2)-c3cncc(c3)C(=O)O)Oc4c5ccccc5ncc4	6
+CC(C)(C)OC(NC(c1c(F)cc(OCCC(C)C2CCN(CC2)c3onc(C(C)C)n3)cc1)C(OC)=O)=O	126
+C1CN(CCC1(CC)CCO)c2sc3c(ccc(Cl)c3)n2	95
+C1CN(CCC1(CC)CCOc2cc(CC(OC)=O)ccc2Cl)c3sc4c(ccc(Cl)c4)n3	72
+C1CN(CCC1O)c2scc(n2)CN3CCN(c4c5c(cccn5)cc(C)c4OCCCC(=O)OC)CCC3	3708
+CC(C)c1nc(N2CCC(CC2)N3CCCC3=O)sn1	1553
+C1CC(CCN1c2snc(n2)C)Nc3nn4cccc(-c5cccc(N(C)C)c5)c4n3	1478
+c1cc(ccc1F)-c2c3n(ccc2)nc(n3)NC4CCN(CC4)c5snc(n5)C	1478
+C1CN(CCC1Nc2nn3ccc(Br)cc3n2)c4snc(n4)C	1478
+C1COCCC1(c2ccc(cc2)CCCNC(c3cccc4ccccc34)C)C(=O)O	479
+C1CC(CCO1)(CN)c2nc(-c3ccccc3)cs2	51
+C1COCCC12C(=O)C(=C(O)c3ccccc23)C(OCC)=O	3359
+C1CC(CCO1)(C(=O)OC)c2cc(cc(OCc3ccc4c(cc(NN)nc4c3)Cl)c2)F	2572
+C1CC(CCO1)(C(=O)OC)c2cc(cc(c2)OCc3cc4n5cnnc5cc(Cl)c4cc3)F	6337
+C1COCCC1(c2nc(ccc2)C#N)O	1304
+c1ccccc1-c2nc(C3(CCOCC3)CNC)sc2	1971
+FC(F)(F)c1onc(-c2ccc(C(=O)NCC3(CCOCC3)c4nc(cs4)-c5ccccc5)s2)n1	227
+C1CC(CCO1)(O)Cn2c3c(cnc4ccccc34)nc2COCC	546
+c1cc(ccc1COc2cc(F)cc(C3(CCOCC3)C(=O)OCC)c2)-n4ccnc4C	139
+c1cc(ccc1C2(CCOCC2)C(NCC(O)=O)=O)CCCNC(c3cccc4ccccc34)C	4
+C1COCCC1(c2ccc(cc2)Cl)C(O)=O	459
+C1COCCC1(CC#N)c2ccc(cc2)F	6338
+C1CCN(C1)CCCOc2ccc(cc2)C3(CCOCC3)C=O	24
+C1CC(CCO1)(c2cnc(nc2)C)C(N(OC)C)=O	164
+C1COCCC1(O)c2[n+](cccc2)[O-]	103
+C1COCCC1(c2nc(cs2)C)F	3709
+C1CN(CCN1c2ccc(C(Nc3c4c(n[nH]3)ccc(Cc5cc(F)cc(c5)F)c4)=O)c(NC6CCOCC6)c2)C	231
+C1CC(CCO1)N2CCC3(CC2)C(C3)C(OCC)=O	85
+CC(C)(C)C#Cc1cc(c(C(OC)=O)s1)NC2CCOCC2	2554
+CC(C)(C)OC(=O)NC1CCN(CC1)C2CCOCC2	85
+CC(C)(C)OC(NNC1CCOCC1)=O	3710
+CC(C)(C)[Si](C)(C)OCc1cccc(C2(CCOCC2)O)n1	938
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC3CCOCC3	231
+C1COCCC1NCC	87
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2nccc2nc(c1)C(NC3CCOCC3)C	87
+Cc1cc(cc(C)c1-c2c3n(nc2C)c(NCCNC4CCOCC4)cc(C)n3)Cl	87
+C1CC(CCO1)Nc2c(C)c(cc(Cl)c2)C(=O)OC	231
+FC(F)(F)c1cc(c(c(OC)c1)C(=O)NC2C(NC3CCOCC3)CCC2)SC	87
+C1COCCC1(C#N)N	661
+C1CC(CCO1)Nc2ccc(F)c(C3(NC(COCC3F)=N)C)c2	231
+C1COCCC1Nc2c(Cl)nc(Cl)nc2	6339
+C1CC(CCO1)Nc2c(c(ccc2)C(=O)OC)Br	231
+C1COCCC1=Cc2c(cc(OC)cc2)[N+](=O)[O-]	846
+C1CC2(OCC(CO2)CO)CCO1	1526
+c1cc(ccc1)CSC2(CCOCC2)C[N+](=O)[O-]	6340
+Fc1cc(cc(F)c1)C2(CCOCC2)O	251
+C1COCCC1Nc2c(C(=O)OC)cc(s2)-c3ccc(F)cc3F	6341
+C1COCCC1N(CC)Cc2cc(ccc2-c3ccccc3)C(=O)OCC	85
+c1cc(ccc1)-c2c3cc(Cl)cc(NC4CCOCC4)c3[nH]c2	6342
+C1COCCC1N(C)CCc2ccc3[nH]c(c(c3c2)C(OCc4ccccc4)=O)C	85
+C1CC(CCO1)Nc2ccnn2Cc3ccccc3	1270
+C1COCCC12NC(=O)C(c3ccc(cc3)Cl)N2	6343
+C1COCCC1N2CCN(CC2)C=3N=CN(C(N=3)=O)Cc4ccc(cc4)Cl	85
+C1CNCCN1C(=O)C2CCOCC2	1324
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)N(C)C(C3CCOCC3)=O	192
+C1COCCC1C(Nc2cnc3cc(-c4c(noc4C)C)c(cc3c2NC(C)COC)OC)=O	308
+FC(F)(F)c1cc2N(C(=O)C3CCOCC3)CCc2c(c1)Br	192
+C1CC(CCO1)C(Nc2c(cc(cc2Cl)O)[N+]([O-])=O)=O	26
+C1COCCC1C(O)c2cc3N=CN(C(c3s2)=O)c4ccc(cc4)N5CCN(CCC5)C	2389
+O=S(=O)(C)OC(C1CCOCC1)C	7
+C1COCCC1c2nc3c(c(Cl)cc(O)c3)[nH]2	791
+C1CC(CCO1)C(Nc2c(Cl)cc(cc2N)O)=O	0
+CC(C)(C)OC(Nc1nc(c(NC(C2CCOCC2)=O)cc1)C#Cc3ccccc3)=O	469
+C1COCCC1C(=O)Nc2nnc(cc2)N3CCN(C(=S)Nc4cccc5c4cccn5)C(C(C)C)C3	142
+C1CC(CCO1)C(N)=O	83
+C1CC(CCO1)C(c2ccccc2)n3c4c(c(cc(F)c4F)S(=O)(=O)C)c5c3cc(Br)cn5	6344
+FC(F)(F)c1cc(SC)c(C(=O)NC2(CN(C)CCC2)C3CCOCC3)c(OC)c1	93
+C1COCCC1C2CCN3c4c(CNCC3)cccc24	1603
+C1CN(CCO1)c2nc(Cl)nc3c2nc(CN4CC(C4)C5CCOCC5)cc3	596
+C1CC(CCO1)C2CCN(c3ccccc23)CCN	15
+C1CC(CCO1)CC(c2ccc([nH]2)-c3ccc(cn3)C(C(C)(C)O)O)n4ncc5c(ccnc45)OC	6345
+C1COCCC1CC(c2cc(n(C)n2)SC)C(C=C)=O	1152
+C1CC(CCO1)CC(C(Nc2ncc(C(=O)O)s2)=O)c3ccc(cc3)S(=O)(=O)C	6
+C1CC(CCO1)CC(C(=O)Nc2ncc(C(OCC)=O)s2)c3ccc(cc3)S(=O)(=O)C	373
+C1CC(CCO1)CC(C(=O)CCC(c2ncc(C(C(C)(C)O)O)cc2)=O)n3ncc4c(OC)ccnc34	3711
+C1CC(CCO1)CC(C(C=C)=O)n2ncc3c2nccc3OC	1152
+C1CC(CCO1)CC(C(Nc2sc(C(=O)NC)cn2)=O)c3ccc(cc3)S(=O)(=O)C	454
+C1CC(CCO1)CC(C(=O)N(C)OC)c2nn(C)c(SC)c2	164
+C1CC(CCO1)CC(c2cc(SC)n(C)n2)C(=O)O	4
+C1CC(CCO1)CC(c2ncc(cc2)SC)C(=O)N(OC)C	978
+C1COCCC1CC(C(C=C)=O)c2ncc(cc2)SC	1152
+C1CC(CCO1)CNC(=O)Cc2csc(-c3c(n(C4CCCCC4)nc3)-c5ccc(cc5)F)n2	9
+CC(C)(C)n1c(Br)c(cn1)-c2nc(cs2)CC(NCC3CCOCC3)=O	9
+FC(F)(F)c1ccc(cc1)CON=C(CC)c2ccc(cc2)OCC(NCC3CCOCC3)=O	9
+C1COCCC1CNc2c([N+]([O-])=O)cc(cc2)N(S(=O)(=O)c3ccccc3)C	60
+C1COCCC1CNc2c([N+]([O-])=O)cc(NC(=O)C)cc2	60
+C1CC(CCO1)CNc2c3c(cccc3)nc(Cl)c2[N+](=O)[O-]	105
+C1CC(CCO1)CNC(c2cnc(Cl)c3c2c(ccc3)C)=O	56
+C1COCCC1CNc2n3c(nc(c2)Cl)c(Br)cn3	1005
+C1CC(CCO1)CNc2cncc(Cl)n2	464
+C1CC(CCO1)CNc2c(ncc(Br)n2)N	941
+C1CC(CCO1)CNc2nc(Br)ccc2	182
+C1CC(CCO1)CNc2c([N+]([O-])=O)ccc(Cl)n2	70
+C1CC(CCO1)CNc2c(cnc3ccccc23)[N+](=O)[O-]	105
+C1CC(CCO1)CNc2ccc(F)c(n2)-c3c(Cl)cnc(c3)N	182
+C1CC(CCO1)CNC(c2cnc(-n3ncc(c3OC)C(OCC)=O)cc2)=O	3516
+C1COCCC1CNC(c2ccc(nc2)-n3ncc(-c4ccc(cc4C)C#N)c3OC)=O	800
+C1CC(CCO1)CNC(c2cnc(cc2)-n3ncc(-c4cc(C)ncc4)c3OC)=O	6346
+C1CC(CCO1)CNC(c2cnc(cc2)-n3c(OC)c(C(O)=O)cn3)=O	6
+C1CC(CCO1)CNC(c2cnc(cc2)N3C(=O)C(c4cc(ncc4)C)C=N3)=O	2477
+C1CC(CCO1)CNc2nc(ccc2N)Cl	13
+C1CC(CCO1)CNc2c(N)cnc3ccccc23	13
+C1CC(CCO1)CNc2nc(-c3c(cnc(F)c3)Cl)cnc2N	3712
+C1COCCC1CNc2c3ccccc3nc(Cl)c2N	13
+C1CC(CCC1Nc2cc(c(cn2)Cl)-c3nc(ccc3Br)NCC4CCOCC4)NCCOC	463
+C1CC(CCO1)CNc2nc(-c3cc(ncc3Cl)F)cnc2	1940
+C1CC(CCO1)CNc2nc(-c3c(Cl)cnc(c3)F)ccc2	1238
+C1COCCC1Cn2cnc3c2nc(Cl)cc3	3713
+C1CC(CCO1)COc2nc(c(N)c(c2)N(C(=O)OCC)Cc3ccc(nc3)C)N	13
+C1CC(CCO1)COc2cc3c(NC(=O)N3Cc4cnc(C)cc4)c(N)n2	6347
+C1COCCC1Cn2c3c(nc2C(C)(C)OC)cc(N(C(=O)C)CC)cc3	76
+C1COCCC1N(C(N2C(=O)N(c3c(cccc3)Cl)N=N2)=O)CC	6348
+CN(C)Cc1ccc(-c2cc(c(C)c(c2)C(=O)NCc3c(nc(C)cc3C)O)N(CC)C4CCOCC4)cn1	315
+C1CN(CCO1)Cc2ccc(cc2F)-c3cc(C(NCc4c(O)nc(C)cc4C)=O)c(c(c3)N(C5CCOCC5)CC)C	48
+C1CC(CCO1)N(CC)c2c(C)c(cc(c2)-c3cc(F)c(cc3)C=O)C(=O)NCc4c(nc(C)cc4C)O	11
+C1CC(CCO1)N(CC)c2c(C)c(cc(-c3ccc(nc3)C=O)c2)C(=O)NCc4c(nc(C)cc4C)O	305
+C1CC(CCO1)N2C(=O)C3(N(CCOC3)c4c2cnc(-c5ccc(cc5)NC(=O)NC)n4)C	261
+C1COCCC1N2C(=O)N(Cc3ccc(OC)c(c3)OC)C(c4cc(ccc24)CNC(=O)C)=O	206
+C1COCCC1N2CCN(C2=O)C(=O)Cl	6349
+C1COCCC1N2CCN(C2=O)C(Nc3nc(c(Oc4cc(-c5ccc(C)nc5)ncc4)cc3)CC)=O	6350
+C1CC(CCO1)N2CCC(CC2)Nc3ccc(S(=O)(=O)N)cc3[N+]([O-])=O	205
+C1CN(CCC1Nc2c(ccc(Br)c2)[N+](=O)[O-])C3CCOCC3	60
+C1CN(CCC12CC2C(N3CCN(CC3)C4CC4)=O)C5CCOCC5	10
+c1cc(ccc1N2CCN(CC2)C(C3CC34CCN(CC4)C5CCOCC5)=O)OC	10
+C1CC(CCO1)N2CCC3(CC2)C(C(=O)O)C3	3
+C1COCCC1N2c3c(N(C)C2=O)cnc4ccc(cc34)-c5ccc(nc5)OCCCN(C)C	391
+C1CC(CCO1)N2C(=O)Nc3c2nc(Nc4cc(C#N)ccc4N)nc3Cl	0
+C1CC(CCO1)N2c3c(NC2=O)c(Cl)nc(Nc4cc(C#N)ccc4[N+](=O)[O-])n3	490
+C1CC(CCO1)N2c3nc(Nc4c(ccc(F)c4)[N+](=O)[O-])nc(Cl)c3NC2=O	490
+C1COCCC1N2c3c(cc(cc3)C#N)C(=O)N(C2=O)Cc4cc(c(OC)cc4)OC	160
+C1CC(CCO1)NC(=O)c2cc3c(cnn3C4OCCCC4)cc2Oc5c(cc(N)cc5)F	0
+C1CC(CCO1)NCCCCN2C(Nc3c(nc(nc23)OC(CCC)C)N)=O	1604
+C1COCCC1n2c(-c3cc(c(cc3NC(=O)C)C)Br)ccn2	2008
+C1CC(CCO1)NNC(c2c(ccnc2OC)I)=O	1325
+C1COCCC1N2c3c(C(=O)N2)c(ncc3)OC	3714
+c1cc(ccc1CC=2C(N(C3CCOCC3)c4n(C=2CCC)ncc4)=O)-c5ccccc5C#N	3242
+C1CC(CCO1)N(c2c(c(C(OC)=O)cc(Cl)c2)C)C	891
+C1COCCC1Nc2c3cnn(CC)c3nc(CC)c2CNC(=O)c4nc(ccc4)C(OC)=O	81
+C1COCCC1Nc2c3c(n(nc3)CC)nc(c2CNC(=O)c4ccc(cc4)CCCCCCCCO)CC	14
+c1ccccc1C(CO)NC(=O)c2cnc3c(cnn3CC)c2NC4CCOCC4	56
+C1COCCC1Nc2c3c(C)nn(C(C)C)c3nc(c2C(O)=O)-c4cc(O)ccc4	6
+C1CC(CCO1)Nc2c(CN)c(nc3n(ncc23)CC)CC	18
+C1CC(CCO1)Nc2n3c(nc(N4CCCC4)c2)cc(C(=O)N(C)OC)n3	1006
+FC(F)(F)C(=O)N(c1c(ccc(c1)[N+](=O)[O-])C(=O)O)C2CCOCC2	1326
+C1CC(CCO1)Nc2n3c(nc(N4CCCC4)c2)cc(C(=O)OCC)n3	790
+C1CC(CCO1)Nc2[nH]ncc2	3715
+C1CC(CCO1)Nc2cc(N3CCCC3)nc4cc(nn24)C(=O)O	6
+C1CC(CCO1)N2c3c(NC2=O)c(nc(N)n3)Cl	3716
+C1COCCC1Oc2ncc(C(=O)N3CCCN(CC3)C4CCC4)cc2	91
+C1COCCC1Oc2cccc3C(=O)c4c(CCc23)cc(cc4)Cl	419
+C1COCCC1Oc2cc(N)ncc2C#N	2009
+C1COCCC1OS(=O)(=O)C	7
+C1CC(CCO1)C(S(=O)(=O)c2ccc(cc2)Cl)c3c(F)ccc(c3)F	6351
+Fc1cc(cc(F)c1)OC2CCOCC2	20
+C1COCCC1Oc2cc(ccc2[N+](=O)[O-])F	419
+C1COCCC1OC(c2ccc(Cl)c(Cl)c2)C(=O)OC	6352
+C1CC(CCO1)Oc2ccc(cc2)Br	20
+C1CC(CCO1)Oc2ccc(cc2)C(=O)c3ccc(cc3)[N+]([O-])=O	20
+c1cc(ccc1NC(c2cc(-c3cncnc3)c(nc2)OC4CCOCC4)=O)OC(F)(F)Cl	91
+C1COCCC1n2cc(cn2)[N+]([O-])=O	2010
+C1CC(CCO1)Oc2c3c(ccc(Cl)n3)ncn2	3717
+C1CC(CCO1)OC(c2cc(c(cc2)Cl)Cl)C(=O)Nc3sccn3	373
+C1CC(CCO1)Oc2cc(Oc3ccc(S(=O)(=O)C)nc3)cc4cc([nH]c24)C(O)=O	6
+C1CC(CCO1)Oc2c3[nH]c(C4=NCC(CC(N5CCS(=O)(=O)CC5)=O)S4)cc3cc(c2)Oc6ccc(S(=O)(=O)C)nc6	10
+C1CC(CCO1)Oc2c3[nH]c(C4=NCC(S4)CC(=O)O)cc3cc(c2)Oc5ccc(S(=O)(=O)C)nc5	3
+C1CC(CCO1)Oc2ncnc3ccc(-c4cncc(NS(=O)(=O)c5c(Cl)cc(cc5)Br)c4)nc23	3718
+C1CC(CCO1)Oc2c3[nH]c(cc3cc(c2)Oc4ccc(S(=O)(=O)C)nc4)C5=NCC(S5)CC(=O)OCC	892
+C1CC(CCO1)Oc2cc(Oc3ccc(S(=O)(=O)C)nc3)cc4cc(C(=S)N)[nH]c24	742
+C1CC(CCO1)Oc2cc(Oc3ccc(S(=O)(=O)C)nc3)cc4cc([nH]c24)C(N)=O	247
+C1CC(CCO1)Oc2cc(ccc2Nc3c4c(C)c(sc4ncn3)C(NCCCCN(C)C)=O)F	6353
+C1CC(CCO1)Oc2ccc(cc2)S(=O)(=O)Cl	6354
+C1COCCC1Sc2cc3c(ccnc3cc2OC)Nc4n[nH]c(c4C)C	607
+C1COCCC1Sc2cc3c(Cl)ccnc3cc2	1524
+C1COCCC1c2c(nccc2)Oc3ccc(cc3)N	1605
+CC1(C)C(C)(C)OB(O1)c2c(cc(cc2F)C3CCOCC3)F	1327
+c1cc(ccc1)CNc2cc(ccc2OC)C3CCOCC3	250
+C1COCCC1c2ccc(cc2)[N+]([O-])=O	31
+C1CC(CCO1)c2cnc(c(n2)-c3ccc(c(c3)F)C(=O)O)N	1
+CC(C)(C)OC(=O)NCC(c1cc(cc(Br)c1)F)NC(c2c(F)cc(-c3c(ncc(C4CCOCC4)n3)N)cc2)=O	14
+C1CC(CCC1)C(c2cc(sc2CC)C3CCOCC3)O	6355
+C1CC(CCO1)n2ncc(N)c2Cl	209
+C1CC(CCO1)n2c3ccc(cc3nc2C)-c4nc5cc(Cl)ccc5o4	1328
+C1CC(CCO1)n2nc(c3c(nccc23)O)-c4cc(C(=O)OC)sc4	104
+C1CC(CCO1)n2nc(c3c(nccc23)O)-c4cc(sc4)C(=O)O	1
+C1CC(CCO1)n2nc(c3c(nccc23)O)-c4csc(C(N)=O)c4	6356
+CC1(C)CC=C(CC1)c2c(N)ccc(C3(CCS(CC3)(=O)=O)C#N)c2	563
+C1CC1NC(Nc2ccc(cc2)-c3nc4N5CCOCC5(C)C(=O)N(C6CCS(CC6)(=O)=O)c4cn3)=O	261
+C1CS(=O)(=O)CCC1CCO	991
+C1CSCCC1N2c3c(N4C(C2=O)(COCC4)C)nc(nc3)Cl	3719
+CC(C)(C)N1CCC(CC1)=O	6357
+C12C[Se]CC(CN(C1)CCc3ccccc3)C2=O	6358
+C1N2CCN(CC2CCC1CO)c3c4c(cccc4)on3	2573
+C1CC(CN2CCCC2=O)Cc3[nH]c4c(c13)c(ccc4C(=O)N)Br	1553
+C1c2c3c([nH]c2CC(C=O)C1)c(ccc3Br)C(=O)N	378
+C1CC(Cc2c1c(OCC3CO3)ccc2)O	72
+c1nc(ncc1F)N2CCN3C(CCC(C3)Cn4ccc5c4ccc(F)c5)C2	117
+CC(C)(C1CCC(CC1)(F)F)NC(=O)N2Cc3c(C(=O)N)c(-c4cc(Cl)c(F)cc4)nn3CC2	6359
+CC(C)(C)C(NCc1ccc(c(c1F)C(Nc2cccc3c2nc(nc3NC4CCC(F)(F)CC4)C)=O)Cl)=O	487
+C1CC(F)(F)CCC1Nc2nc(nc(NC3CCC(F)(F)CC3)n2)-c4nc(NN)ccc4F	1606
+C1CC(F)(F)CCC1Nc2nc(nc(NC3CCC(F)(F)CC3)n2)-c4c(ccc(N)n4)F	2574
+C1CC(CCC1(F)F)Oc2cc(F)c(C(=O)OC)cc2C3CC3	2530
+C1CC(CCN1C(=O)C(NC(=O)c2c3nc(-c4cn(CC)nc4)cnc3[nH]c2)C5CC5)(F)F	6360
+C1CN(CCC1(F)F)C(=O)c2sc3ccc(OC4CCN(CC4)C(C)C)cc3c2	867
+c1cc(ccc1)C(N2CCC(F)(F)CC2)C(=O)O	6361
+FC1(F)CCN(CC1)Cc2c3n(c(n2)Br)cccc3	879
+C1CN(CCC1(F)F)c2nc(Cl)cc(C)c2[N+]([O-])=O	43
+C1CC(CCN1CCOc2ccccc2Br)(F)F	236
+C1CN(CCC1(F)F)C(=O)Oc2ccc(cc2)[N+]([O-])=O	66
+CC(C)(C)OC(N1CCC(CC1)n2cc(cn2)-c3c(OCCC)c4c(cc3)N(C(=O)OC)C(C)CC4)=O	320
+C1CC(N(C(=O)OC)c2ccc(Br)c(OCCC)c12)C	8
+C1(Nc2cc(C(=O)OC)cnc2N3CCCC13)=O	1530
+O=S(=O)(c1ccc(cc1)F)NC2Cc3c(c(n4ccccc34)CC(=O)OCC)CC2	71
+Cc1nc(N2CCC(N3C(C)CCC3)C2)ccc1[N+]([O-])=O	43
+CC(C)(C)OC(NC(C1CCCCC1)C(=O)N2CCCC2c3cc(-n4cnc5ccccc45)ncc3)=O	10
+C1CC(NC1C(=O)OC)=O	27
+c1cc(ccc1C(Nc2c(CNC(=O)C3NC(CC3)=O)cc(F)c(Nc4[nH]nc(c4)C5CC5)n2)C)F	9
+CC(C)(C)OC(=O)N1C(CCC1=O)C(OC)=O	6362
+CC(C)CN1C(C(=O)N)CCCC1	2575
+C1CC(NCC1)C(=O)N	327
+C1CCN(c2c([N+]([O-])=O)cc(cn2)C(=O)OC)C(C1)C(OC)=O	3720
+C1CN(CCN1)CCCOc2cccc3c2CCC(=O)N3	53
+[N-]=[N+]=NC1CCc2c(C)cccc12	841
+C1(=O)C(C#N)=CN(c2cc3c(N(C(S3)=O)C)cc2)C(=O)N1C4c5cccc(Cl)c5CC4	3367
+c1cc(ccc1C#N)Nc2c3CCC(c3ncn2)OC	73
+c12C(CCc1c(cc(Br)c2F)F)O	74
+CC1(C)C(C)(C)OB(O1)c2c3c(C(=O)CC3)ccc2	17
+C1c2c(C(N)C1)cncc2Br	3721
+C=1c2cccc(Cl)c2CC=1	2576
+c12ccc(c(O)c1CCC2)C	165
+C1CC(c2ccc(C)c(OC)c12)=O	297
+C1c2c(OCOC)cccc2C(NC)C1	1607
+C1CC(c2c1c(cc([N+]([O-])=O)c2OC)Br)=O	65
+C1c2c(c(c(cc2Br)[N+]([O-])=O)OC)C(C1)=CC#N	2011
+C1CC(O)c2cccc(c12)OC	74
+C1CC(c2ccc(c(c12)Br)O)=O	5
+FC(F)(F)S(=O)(=O)Oc1ccc2C(=O)CCc2c1Br	166
+CC(C)(C)[Si](C)(C)OCC1CCC(Oc2ncnc3c2nc(-c4c5c(cccc5)ccc4)n3C6OCCCC6)C1	3722
+C1CC1n2ncc(-c3ccc4c(c3)N(c5nn(c6c5cccc6)C7OCCCC7)CC(C)N4C(=O)C)c2	3723
+c1cc(ccn1)N2CCC(CC2)C(Nc3ccc4n(C5OCCCC5)nc(-c6[nH]c7c(n6)cccc7)c4c3)=O	33
+c1(nn(C2OCCCC2)c3cc(-c4c(c(cc(OC)c4F)OC)Cl)ncc13)I	662
+C1CC1(NC(C(NC(N2CCC3(CC3)CC2)=O)CC(F)(F)C)=O)C#N	9
+CC(C)(C)OC(=O)N1C(CC(C1)S(=O)(=O)c2c(cccc2)Cl)C(NC3(CC3)C#N)=O	9
+CC(C)(C)OC(=O)NC(C[Si](C)(C)C)C(NC1(CC1)C#N)=O	9
+C[Si](C)(C)CC(NC(=O)c1cccc(I)c1)C(=O)NC2(CC2)C#N	9
+FC(F)(F)C(NC(CCC)C(NC1(CC1)C#N)=O)c2ccc(cc2)Br	9
+C1CC1(NC(C2CCCCC2c3nc(sc3-c4ccc(cc4)N5CCS(=O)(=O)CC5)N6CCC(F)(F)CC6)=O)C#N	9
+O=S1(=O)CCN(CC1)c2ccc(cc2)-c3nc(-c4cccc(Cl)c4F)oc3C5CCCCC5C(=O)NC6(CC6)C#N	9
+C1CC1(C#N)NC(=O)C2C(c3c(nc(-c4cc(c(cc4)F)F)o3)-c5ccc(cc5)Br)CCCC2	9
+C1CC1(C#N)NC(=O)C2C(c3c(nc(o3)-c4cccc(c4)Cl)-c5ccc(cc5)Br)CCCC2	9
+O=S(=O)(C1CC(C(NC2(CC2)C#N)=O)C(COCc3ccc(cc3)OC)C1)c4ccc(F)cc4Cl	271
+c1cc(ccc1N2CCOCC2)-c3sc(nc3C4CCC(F)CC4C(=O)NC5(CC5)C#N)C	9
+c1cc(ccc1-c2c(C3CCCCC3C(=O)NC4(CC4)C#N)oc(n2)-c5cc(c(cc5)F)F)N6CCS(=O)(=O)CC6	79
+c1cc(ccc1-c2nc(-c3cccc(c3)Cl)oc2C4CCCCC4C(=O)NC5(CC5)C#N)N6CCS(=O)(=O)CC6	79
+C1CC1(C#N)c2c(c(ccc2)C(=O)Nc3cccc(Oc4cc5sc(NC(C)=O)nc5cc4)c3)Cl	67
+c1(cc(cc(Cl)c1C2(CC2)CN)Cl)Cl	51
+C1CC1(c2ncc(cc2Cl)Br)CN	51
+c1ccccc1C2C(NCc3c(ccc(C4(CC4)C#N)c3)OC)CCCN2	42
+n1cc(cnc1C2(CC2)CN)C	51
+C1CC1(C(N)=O)c2onc(n2)-c3cc(c(C4CC4)cn3)OCC5CC5	6363
+C1CC1(C(=O)N)NC(=O)c2cccc(N)c2	0
+C1CC1(c2ccccc2C#Cc3nc(Cl)ncc3Cl)C(=O)N	838
+C1CC1(c2c(cccc2)C#Cc3nc(ncc3C)Cl)C(=O)N	838
+FC(F)(F)c1cnc(Nc2cnc(OC)cc2)nc1C#Cc3c(cccc3)C4(CC4)C(=O)N	838
+C1CC1(C(Nc2cc3cc([nH]c3cc2)C(=O)O)=O)c4cc5OCOc5cc4	6
+CN(C)C(=O)c1ccc(cc1)-c2cc(ccc2CO)NC(=O)C3(CC3)c4cc5OCOc5cc4	11
+C1CC1(C(N2CC(C(C2)Nc3c4n(cc(Br)c4)ncc3C(=O)N)OC)=O)C#N	10
+C1CC1(C#N)C(=O)N2CCC(C)C(N(c3c4c([nH]cc4)ncn3)C)C2	10
+c1cc(ccc1CCCCCCCCCCCC)C(=O)NNC(C2(CC2)C#N)=O	708
+C1CC(CCC1)C2(CC2)C(=O)Nc3c(ccc4c3ccc(Cl)n4)Cl	33
+C1CC1(Sc2cc(N=C3SC(N4N3CCCC4)=O)c(F)cc2Cl)C(=O)OC	6364
+C1CC1(Sc2cc(c(F)cc2Cl)N=C=S)C(=O)OC	333
+C1CC1(c2cc3c(cc2)ocn3)C(=O)OC	2577
+C1CC1(C(OCC)=O)Oc2cc(NC(OCC)=O)c(F)cc2Cl	90
+C1CC1(C(=O)OCC)c2ccc(cc2)-c3c(OC)cc(cc3)-c4c(cc(F)s4)NC(=O)OC(C)c5cscc5Cl	2578
+c1cc(ccc1-c2c(OC)cc(cc2)-c3c(cc(F)s3)NC(=O)OC(C)c4cscc4Cl)C5(CC5)C(=O)O	3
+c1c(C)cc(cc1CC(C(NCC#N)=O)NC(c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(N)=O)=O)C	1007
+CC(C)(C)OC(N1CCC(CC1)n2ncc(Nc3nc(CCc4ccccc4C5(CC5)C(N)=O)c(cn3)C)c2)=O	486
+c1cc(ccc1OC)-c2cc3c(NC4C(CN(C(=O)C5(CC5)C#N)C4)OC)c(C(=O)N)cnn3c2	550
+c1cc(ccc1CNC(C2(CC2)NC(c3onc(OC)c3)=O)=O)-n4c5c(c(Cl)c4-c6noc(n6)C)cccc5	1585
+C1CC1(C(=O)Nc2c(C)cc(cc2)Br)C(O)=O	3
+C1CC1(C(=O)Nc2ccc(CO)c(Br)c2)c3cc4OCOc4cc3	88
+CC(C)(C)NC(c1cc2c([nH]1)ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)=O	81
+C1CC1(C(Nc2cc(c(nc2)C)-c3cccc(S(=O)(=O)N(C)C)c3)=O)c4ccc5OCOc5c4	89
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4ccc(c(n4)C5=CC(N(C=C5)CCO)=O)C	6365
+FC1(F)Oc2ccc(C3(CC3)C(Nc4ccc(c(-c5c(OC)ncc(C)c5)n4)C)=O)cc2O1	1608
+O=S(=O)(CCN1C(C=CC(c2c(ccc(NC(=O)C3(CC3)c4ccc5OC(F)(F)Oc5c4)n2)C)=C1)=O)C	3724
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4nc(C5=CN(C)C(=O)C=C5)c(C)cc4	3724
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4ccc(c(n4)-c5cc(cc(C(OC)=O)c5)O)C	362
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4ccc(C)c(-c5cccc(C(O)=O)c5)n4	140
+CC(C)(C)OC(N1CCN(CC1)C2(CC2)C(O)=O)=O	23
+C1CC1(C(OC)=O)c2cc(O)c(cc2)O	27
+c1cc(ccc1Cl)C2(CC2)C(N3CC(S(=O)(=O)c4ccccc4Cl)CC3C(OC)=O)=O	478
+c1cc(ccc1C2(CC2)C(OC)=O)OC	167
+C1CC1(C(=O)O)Nc2c(Cl)cnc(Cl)n2	4
+C1CC1(Oc2ccc(N)c(F)c2)C(OC)=O	0
+c1cc(ccc1C2(CC2)C(=O)OC)-c3csc(n3)N	2579
+C1CC1(c2[nH]c(c(n2)-c3ccc(F)cc3F)-c4nc5c(cc4)nc(NC(COCC)C)o5)C(OC)=O	3514
+C1CCN(C1)C(C2CCCN(c3ccc4c(nc(C5(CC5)c6ccccc6OC)[nH]4)n3)C2)=O	3725
+C1CC1(NC(=O)c2cccc([N+]([O-])=O)c2)C(O)=O	3
+C1CC1(NC(c2cncnc2)=O)C(O)=O	3
+C1CC1(Nc2nc3c(nc2C)cccc3Br)C	3726
+CC1(C)OCC(C2(CC2)O)N(C(=O)c3cn4c(nc(n4)NCc5cccc(Cl)c5)c(OC)c3)C1	211
+C1CC1(C=C(F)CO)c2ccc3c(c2)OCO3	6366
+C1CC1(c2ccc3c(OCO3)c2)C=C(F)COC(=O)C	2580
+C1CC1(c2ccc3c(cccn3)c2)c4nnc5ncc(-c6cc(F)c(C(OC)=O)cc6)nn45	3727
+c1cc(ccc1-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)C(=O)OC	3727
+C1CC1(c2cc(ncc2)Br)C(=O)O	1329
+c1cc(ccc1C(=O)OC)CCC(C=O)CCC2(CC2)CC(OCC)=O	24
+C1CC1(CCN2c3ccccc3C(C)(C)OC2=O)NCC(c4ccc(c5NC(COc45)=O)OCc6ccccc6)O	6367
+C1CC1(CCN2c3ccccc3C(C)(C)OC2=O)NCC(c4c5OCC(Nc5c(O)cc4)=O)O	16
+C1CC1(NC(=O)c2cnc(N3C(=O)C(C=N3)c4ccc(C#N)cc4OC)cc2)CCOC	56
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2cc(F)c(NC(=O)NCC3(CC3)C#N)cc2	675
+c1(-c2cc(cc(-c3cccc(Cl)c3)c2OCOC)C(NCC4(CC4)COCCCCc5ccccc5)=O)cccc(Cl)c1	176
+FC(F)(F)Oc1cc(Oc2nc3N(C)C(N(CC4(CC4)CO)C(=O)c3n2Cc5ccc(cc5)Cl)=O)ccc1	6368
+O=S(=O)(OCC1(CC1)c2[nH]c(-c3ccc4c(n3)oc(NC(COCC)C)n4)c(-c5ccc(F)cc5F)n2)C	3728
+C1CC1(Nc2cccc(c2)C3Nc4c(Cl)cc(C#N)cc4C(C)(C)C3)C(=O)O	2012
+C1CC1(Nc2cccc(C3CC(C)(C)c4c(c(cc(C#N)c4)C)N3)c2)C(=O)O	2012
+CC(C)(C)[Si](C)(C)Oc1c(OC)ccc(CNC2(CC2)C(OC)=O)c1	1528
+C1CC1(C(OC)=O)Nc2c(Cl)cnc(Cl)n2	2581
+c1cc(ccc1)CN2c3c(-c4cccnc4)nc(C(NC5(CC5)C(OCC)=O)=O)c(c3C=C(c6ccccc6)C2=O)O	1008
+CC(C)(C)OC(NC1(CC1)CCO)=O	37
+c1cc(ccc1)-c2cc(Nc3ccc(cc3)CC(C(O)CNC4(CC4)c5cc(ccc5)C(C)C)NC(C)=O)ncn2	122
+Fc1cccc(F)c1COc2c3n(c(C(=O)NC4(CC4)c5ccc(c(c5)F)F)c(C)n3)cc(n2)C	312
+c1cc(ccc1F)-c2c(C(=O)NC)c3cc(ccc3o2)-c4c(C)ccc(C(=O)NC5(CC5)c6ncc(C)o6)c4	14
+C1CSCCN1C2(CC2)C(=O)N3C(C(NC4(CC4)C#N)=O)CC(S(=O)(=O)c5ccccc5Cl)C3	348
+C1CC1(C(=O)N)NC(=O)c2cccc([N+]([O-])=O)c2	83
+c1cc(ccc1CNC(C2(CC2)NC(=O)c3cncnc3)=O)Oc4c(cc(cc4)Br)Cl	9
+C1CC1NC(c2cc(N3C=CN=C(NC4(CC4)c5c(O)cccc5)C3=O)c(C)cc2)=O	513
+C[Si](C)(C)C#Cc1ccc(cc1)C2(CC2)NCc3ccccc3	263
+O=S(=O)(N)OC1(CC1)C	2419
+CC(C)(C)OC(=O)Nc1onc(c1)-c2cc(-c3ccc(cc3)C(=O)N4CCN(CC4)C(C5(CC5)O)=O)ccc2	10
+FC(F)(F)c1ccc(c(c1)CN(C(C2(CC2)O)=O)CC)-c3cc(ccc3OC)CC(OCC)=O	10
+CC(C)(C)[Si](C)(C)OC1(CC1)CC(c2c(F)ccc(Br)c2)=O	655
+C1CC1(OC(=O)c2ccccc2)CCOC3OCCCC3	47
+C1CC1(COC)OS(=O)(=O)N	6369
+CC(C)(C)[Si](C)(C)OC1(CC1)c2c[nH]cn2	19
+CC(C)(C)OC(=O)NC(C)(C)CCNc1c(C2(CC2)O)cccc1	291
+c1ccccc1C(OC2(CC2)CCO)=O	168
+C1CC1(C(=O)OCC)Oc2c(cc(c(N)c2)F)Cl	0
+C1CCCCC1C(n2c(nc3c2cccc3)-c4ccc(cc4)Cl)C(=O)Nc5ccc(cc5F)OC6(CC6)C(=O)OC	33
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(Nc4ccc(cc4F)OC5(CC5)C(OC)=O)=O)C6CCCCC6	33
+CC(C)(C)OC(N1C(CC2(C(C)(C)C23CCC3)C1)C(NC4(C(NS(=O)(=O)C5(CC5)CCC)=O)CC4C=C)=O)=O	207
+C1CC1(C(=O)OC)Sc2cc(c(F)cc2Cl)N	27
+C1CC1(C(=O)OC)Sc2cc(NC(N3NCCCC3)=S)c(F)cc2Cl	6370
+C1CC1(CO)c2nc(-c3ccc(F)cc3F)c([nH]2)-c4ccc5c(n4)oc(NC(COCC)C)n5	95
+C1CC1(C#N)c2c(Cl)c(ccc2)C(=O)O	1
+C1CC1(c2ccc(nc2Cl)Cl)CN	51
+C[Si](C)(C)C#Cc1ccccc1C2(CC2)C(N)=O	311
+C1CC12COc3c2c(OCOC)ccc3C	126
+C1CC1(C(N)=O)c2ccccc2CCc3nc(ncc3C)Cl	801
+C1CC1(C(O)=O)c2cc(O)c(O)cc2	459
+C1CC1(c2ccc(O)c(c2)[N+](=O)[O-])C(=O)OC	5
+C1CC1(c2cc(ccc2)[N+]([O-])=O)C(=O)N	527
+C1CC1(c2cc(N)ccc2)C(=O)N	0
+CC(C)(C)OC(=O)NC1(CC1)c2ccnc(Br)c2	6371
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4nc(c(c(C)c4)C)-c5cc(c(nc5)O)C)=O	104
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4cc(c(C)c(-c5ccc(O)nc5)n4)C)=O	104
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)C3(CC3)c4cc5OCOc5cc4)ccc2C	17
+c1cc(ccc1CO)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C	11
+C1CC1(C(Nc2cc(c(cc2)COC)Br)=O)c3cc4OCOc4cc3	49
+C1CC1(C(=O)O)c2ccc3ocnc3c2	4
+C1CC1(C=O)c2ccc3ncccc3c2	2013
+C1CC1(c2ccc(cc2F)C#CC(CC=3OC(C)(C)OC(=O)C=3)(O)C4CCCC4)C#N	3729
+C1CC(CCC1)NC(C2(CC2)c3c(F)cc(cc3)Br)=O	68
+C1CC1(c2ccc(Br)cc2F)C(=O)Cl	130
+C1CC1(C(=O)OC)c2ccc(O)c(c2)N	0
+C1CC1(c2cc(O)c(O)cc2)C#N	16
+C1CC1(c2ccc(cc2)Br)C(O)=O	1588
+C1CC1(C(N)=O)c2ccc(cc2)-c3ccc(cc3)C(O)=O	11
+C1CCC(C1)(O)c2ccc(cc2)C3(CC3)C(=O)O	251
+c1cc(ccc1C2(CC2)C(OCC)=O)Br	27
+c1cc(ccc1Br)C2(CC2)C(=O)NS(=O)(=O)C	344
+CC(C)(C)OC(=O)NC1(CC1)c2ccc(cc2)Br	37
+FC(F)(F)c1ccc(cc1)Cc2c(c(sc2C)C)C(NC3(CC3)c4ccc(cc4)C#N)=O	2582
+c1cc(ccc1C2(CC2)C#N)N	1497
+CC1(C)OC(=CC(=O)O1)CC(C2CCCC2)(CCc3cc(c(C4(CC4)C#N)cc3)F)O	213
+C1CC1(c2ccc(cn2)Br)C(=O)N	1004
+c1cc(ccc1-c2cnc(C3(CC3)C(N)=O)cc2)C(N4C(=O)NC(CC4)(CC(C)(C)O)c5ccccc5)C	156
+C1CC1(CNC(c2c(nccc2)Cl)=O)c3c(nc(cc3)Cl)Cl	56
+C1CC1(C(Nc2nc(c(C)cc2)Cl)=O)c3ccc4OC(F)(F)Oc4c3	195
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4cc(C)c(c(Cl)n4)C	195
+CC(C)(C)c1[nH]c2ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)cc2c1	33
+CC(C)(c1[nH]c2ccc(cc2c1)NC(=O)C3(CC3)c4cc5OCOc5cc4)CO	33
+C1CC1(c2ccc3c(c2)OCO3)C(=O)Cl	130
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4ccc5[nH]c(cc5c4)C(CO)C	33
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4cc5cc([nH]c5cc4)C(C(OCC)=O)C	33
+C1CC1(C(Nc2cnc(C)c(c2)Br)=O)c3ccc4OCOc4c3	469
+c1ccccc1Oc2c(F)ccc(c2)CC(F)=CC3(CC3)c4ccc5c(OCO5)c4	6372
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4cccc(-c5ccc(cc5)S(=O)(=O)NC)c4	26
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncc(cc2)-c3cn4c(nc3)ncc4C5(CC5)c6cc7cccnc7cc6	2583
+C1CC1(c2cnc3ncc(cn23)-c4ccc(cc4)OCC(N5CCCC5)=O)c6cc7cccnc7cc6	2583
+C1CC1(c2ccc3c(cccn3)c2)c4nnc5ncc(nn45)-c6ccc(C(O)=O)c(F)c6	1
+C1CC1(c2ccc3c(cccn3)c2)c4nnc5ncc(-c6ccc(c(F)c6)C(NCC)=O)nn45	14
+c1cc(ccc1Nc2cc(ccn2)-c3ccccc3)CC(NC(C)=O)C4OC(N(C5(CC5)c6cccc(C(C)C)c6)C4)=O	201
+C1CC1(C(=O)O)C2CCCCC2	6373
+C1CC1(c2ccccc2)C(OC)=O	325
+C1CC1(c2ccccc2I)C(O)=O	184
+C1CC1(c2ccccc2)Nc3cc(ncc3C(=O)N)Cl	105
+c1cc(ccc1N2CCN(CC2)C(CC)=O)Nc3ncc(c(NC4(CC4)c5ccccc5)c3)C(N)=O	201
+C1CC1(c2ccccc2CCc3c(cnc(n3)Cl)Cl)C(N)=O	801
+C1CN(CCC1n2cc(Nc3nc(CCc4c(cccc4)C5(CC5)C(N)=O)c(cn3)Cl)cn2)C	486
+C1CC1(c2ccccc2CCc3c(cnc(Nc4cnc(C(N)C)cc4)n3)Cl)C(N)=O	6374
+C1CC1(c2c(I)cccc2)C(=O)N	83
+C1CC1NC(c2cc(N3C(C(NC=C3)=NC4(CC4)c5ccccc5OCCNCC(O)C)=O)c(C)cc2)=O	284
+C1CC1(C=O)c2ccnc(Br)c2	2013
+C1CCCN1c2ncc(cc2)C3(CC3)C(=O)OCC	43
+C1CCCN1C(C2CCCN(C2)c3ccc(c(N)n3)NC(=O)C4(CC4)c5cccnc5)=O	469
+FC(F)(F)c1nccnc1C(=O)NCC2(CC2)c3c(Cl)cc(Br)cn3	312
+c1nc(ncc1C)C2(CC2)NC(c3ccc(C)c(c3)-c4cc5c(c(-c6ccc(cc6)F)oc5cc4)C(=O)NC)=O	14
+CC(C)(C)OC(NC1(CC1)c2ncccc2)=O	37
+CC(C)(C)S(N=C1c2cc(ccc2CCC13CC3)Br)=O	2552
+C1CC12C(CN(c3c(cc(c(F)c3OC)C(O)=O)F)C2)NC(c4ccccc4)C	6
+FC(F)(F)Oc1cc(ccc1)N2CCN(C(=O)CC2)C(CCN3CCC4(CC4)C(O)C3)C(OC)=O	61
+C1CC12C(CN(C(=O)CCN3C(=O)C(C)N(CC3)C(=O)C=Cc4cc(Cl)c(cc4)F)CC2)O	10
+C1CC12c3c(c(F)cc(c3)-c4ccc(C#N)n4C)NC2=O	3730
+C1CC12c3ccncc3N(Cc4cc5c(c(cc(Cl)c5)F)n4CCC(OCC)=O)C2=O	6375
+C1CC12c3ccncc3N(Cc4nc5c(c(cc(c5)Cl)F)n4C6CCS(=O)(=O)C6)C2=O	3731
+O=S1(=O)CC2(CC(C2)n3c4ccc(Cl)cc4nc3CN5C(=O)C6(CC6)c7ccncc57)C1	3731
+Fc1cc(cc(F)c1)-c2ccc3c(c2)C4(NC(=N)C(C)=N4)C5(CC5)CC3	6376
+C1CC12C3(NC(=N)C(C)=N3)c4cc(ccc4CC2)-c5cc(C#N)cc(F)c5	6377
+FC(F)(F)c1ccc(cc1)CN2CCC3(CC3)CC2(C)C(NC(C)c4ccc(cc4)C(OC)=O)=O	1330
+C1CC12N(C(CC2)CO)C	168
+c1cc(ccc1)CN2CC(O)C3(CC3)CC2	100
+FC(F)(C)CC(C(OC)=O)NC(=O)N1CCC2(CC2)CC1	3508
+n1cc(cnc1Oc2c3C4(CC4)CCOc3ccc2)[N+]([O-])=O	893
+C1CC12CCOc3c2c(O)ccc3	241
+C1CC12C3(c4cc(ccc4CC2)Br)N=C(C(C)=N3)N	6378
+CC(C)(C)OC(=O)n1ccc2c(ncnc12)N3CC4(CC4)N(S(=O)(=O)NC5CCC5)CC3	6379
+C1CC(CCC1)N2CC3(CC3)C(=O)N(c4c2nc(nc4)Cl)C	998
+CC(C)(C)OC(=O)N1C(CC2(CC2)C1)CO	23
+CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O	123
+CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(Oc2ccc(c3c2C4(CC4)CO3)C)nc1)CC	469
+C1CC12COc3c(ccc(c23)Oc4ccc(N)cn4)C	13
+C1CC12COc3c(ccc(c23)Oc4ncc(cc4)[N+](=O)[O-])C	136
+c1nc(ncc1[N+]([O-])=O)Oc2ccc(c3c2C4(CC4)CO3)C	893
+C1CC12COc3c2c(O)ccc3C	241
+c1(C)cc(cc(C)c1-c2c(c(CNc3ccc4C(CC(=O)OC)C5(CC5)Cc4c3)ccc2)C)OCC6COC(C)(C)O6	208
+C1CC12CCC(COS(=O)(=O)C)N2C	7
+C1CC12CN(CCN2S(=O)(=O)NC3CCC3)c4c5cc[nH]c5ncn4	6380
+C1CC12CN(c3c2c(C)nc(n3)-c4ccc(OC)c(c4)F)c5cc(OCC(=O)N(C)C)ccc5	648
+C1CC12c3ccncc3N(Cc4cc5c(c(cc(Cl)c5)F)n4CCC(O)=O)C2=O	3
+C1CC1Sc2c(cccc2)Br	6381
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)Nc2c(C#CC3CC3)cccc2	121
+FC(F)(F)C(=O)NCc1cc(C2=NN(C(=O)N2)c3c(F)cc(cc3)C#CC4CC4)c(Cl)cc1	3732
+CC(C)Oc1cc(ccc1C#CC2CC2)C(=O)NS(=O)(=O)c3ccccc3S(=O)(=O)N	197
+C1CC1C#CCOS(=O)(=O)c2ccc(cc2)C	2390
+C1CC1C#CCOc2ccc(cc2)Cc3c(ccc(C4C(O)C(O)C(O)C(CO)O4)c3)Cl	6382
+CC(C)(C)C(NCc1cc(C2=NN(C(=O)N2)c3c(F)cc(cc3)C#CC4CC4)c(Cl)cc1)=O	3733
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C	792
+C1CC1(c2ccc(cn2)Br)C#N	6383
+O=S(=O)(c1cc(ccc1C(=O)c2c(onc2)C3CC3)Cl)C	6384
+C1CC1C=2C(=C3N(C(=O)C=2CCCC)c4ccccc4N3)C#N	3734
+c1cc(ccc1Cl)-c2c(n[nH]c2N)C3CC3	2014
+C1CC1c2c3c(n(-c4c(Cl)cc([N+](=O)[O-])cc4)n2)-c5sc(NC(C)=O)nc5CC3	6385
+C1CC1c2n[nH]c(c2)C3CC3	3735
+C1CC1C(=O)C(=CN(C)C)C(c2ncc(cc2Cl)Cl)=O	6386
+C1CC1c2nc(O)c(C#N)c(c2)C	3346
+FC(F)(F)Oc1ccccc1-c2noc(C3CC3)c2C(OC)=O	3495
+C1CN(CCN1c2cc([N+]([O-])=O)ccc2OC)C(C3CC3)=O	58
+C1CN(CCN1C(C2CC2)=O)c3ccc(cc3)C(=O)O	58
+C1CC1C(Nc2cc(ccc2)-c3ccc(nn3)N4CCN(CC4)C5CC5)=O	26
+C1CC1C(N2CCC(CC2)C(=O)OCC)=O	58
+C1CC1C(N2C(C)CCc3c2cccc3OC)=O	192
+C1CC1C(N2CC(CC2)C#N)=O	1324
+C1CC1C(N2CCC(C2)CC(OCC)=O)=O	1324
+c1cc(ccc1Br)-c2nc(C)c(C)n2CC3CN(C(=O)C4CC4)CC3	1324
+CC(C)(C)OC(=O)NCc1ccc(cc1)-c2csc(NC(C3CC3)=O)n2	290
+CC(C)(C)OC(=O)Nc1cc(Oc2cn3c(nc(n3)NC(=O)C4CC4)cc2)ccc1Cl	784
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(ncc2Cl)[nH]cc3NC(C4CC4)=O)C1	308
+CC(C)(C)OC(NC1CN(CC1)C(=O)C2CC2)=O	58
+CC(C)(C)OC(Nc1c(F)ccc(Oc2ccc3nc(sc3n2)NC(C4CC4)=O)c1)=O	290
+CC(C)(C)OC(Nc1c(ccc(c1)Oc2ccc3nc(nn3c2)NC(=O)C4CC4)C)=O	784
+CC(C)(Cn1c2c3ccccc3nc(N)c2nc1CONC(C4CC4)=O)O	3736
+FC(F)(F)C(N1c2c(N(CC1C)C(C3CC3)=O)cc(cc2)Br)=O	192
+FC(F)(F)C(=O)Nc1cc(N(c2nc3sc(NC(C4CC4)=O)nc3cc2)C)ccc1F	290
+FC(F)(F)c1c(CN(C(=O)C2CC2)Cc3ncccc3)ccc(C=CC(C(F)(F)F)c4cc(Cl)c(c(c4)Cl)Cl)c1	58
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3sc(NC(=O)C4CC4)nc3cc2)c(Cl)cc1F)=O	290
+FC(F)(F)C1(Cc2cc(ccc2O1)-c3c(F)c(NC(C4CC4)=O)ccc3)c5cc(Cl)cc(Cl)c5	26
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)Cc3c(O1)ccc(-c4cccc(NC(C5CC5)=O)c4)c3	26
+FC(F)(F)c1ccc(-c2cc(CC#N)ccc2OC)c(CN(CC)C(C3CC3)=O)c1	58
+FC(F)(F)c1cc(cc(c1)NC(=O)C2CC2)-c3cnco3	26
+C1CC1C(Nc2cc(-c3nn(C)c(OC(F)F)c3Cl)ccc2Cl)=O	26
+C1CC1C(Nc2c(ccc([N+](=O)[O-])c2)F)=O	26
+C1CC1C(=O)Nc2cc(ccn2)[N+](=O)[O-]	195
+c1cc(ccc1)S(=O)(=O)c2c([nH]c3ccc(cc23)Cl)NC(=O)C4CC4	195
+C1CC1C(Nc2c[nH]c3ncc(OCC)c(F)c23)=O	308
+C1CC1C(N2CC(CNc3c([N+]([O-])=O)ccc(c3)F)CC2)=O	58
+C1CC1C(Nc2cccc(Br)c2)=O	26
+C1CC1C(N2CC(CC2)Nc3c4c(n(CC)c(C(=O)OC)n4)ncn3)=O	58
+C1CC1C(Nc2ncc3cc(ccc3c2)Br)=O	195
+C1CC1C(Nc2cn3c(ccc(n3)I)n2)=O	1841
+C1CC1C(N(CC)Cc2c(ccc(F)c2)-c3c(OC)ccc(CC(OCC)=O)c3)=O	58
+C1CC1C(Nc2ccc(c(OC)c2)-c3oc(-c4c(-c5ccccc5)noc4C)nn3)=O	26
+C1CC1C(=O)N(Cc2ccccc2)CCn3c4ncnc(N)c4c(-c5cc(cc(O)c5)F)n3	58
+c1cc(ccc1)N2C(=O)C(=C3COCCN23)C(=O)Nc4cc(c(Oc5ccnc(c5)NC(C6CC6)=O)cc4)F	195
+c1cc(ccc1-c2ccc3nnc(n3c2)Sc4ccc5c(sc(NC(=O)C6CC6)n5)c4)F	290
+c1cc(ccc1-c2n(c3cc(ccc3c2C#N)OCC)CC)NC(=O)C4CC4	26
+c1cc(ccc1CC2N(C(=O)C3CC3)CCC2)Cl	58
+C1CC1C(Nc2ccccc2Oc3nc(Cl)ncc3Cl)=O	26
+C1CC1C(=O)Nc2nn3c(ccc(c3)Oc4cc(C)cc(c4)NC(=O)c5n(nc(C)c5)C)n2	784
+C1CC1C(=O)NC2c3c(c(-c4ccc5N(C)C(=O)CCc5c4)cnc3)CCC2	68
+C1CC1C(=O)Nc2nn3cccc(Br)c3c2	195
+C1CC1C(=O)Nc2ncc(c(c2)NC(=O)c3c(Cl)cc(cc3Cl)Cl)F	1153
+C1CC1C(=O)N2C(C)CCc3c(OC4CCC4)c(-c5c(n(C6CC6)nc5)NS(=O)(=O)C)ccc23	802
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-n3c4c(C(=O)N(C=N4)CC5(CCN(CC5)C(=O)C6CC6)O)cn3	17
+C1CN(CCC1C(=O)N2CC(C(CC2)N(C(c3ccc(cc3)Br)=O)C)c4cc(c(Cl)cc4)Cl)C(=O)C5CC5	10
+c1cc(ccc1-c2cc3c(c[nH]n3)cc2)-c4nc5c(cc(F)cc5)n4CC6CN(CC6)C(=O)C7CC7	803
+C1CNCCN1CC2CC2	15
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c2)N(CC(C)N3)C(C4CC4)=O	17
+C1CC1c2n3c4cc(Br)ccc4ncc3nn2	6387
+c1cc(ccc1N2C(=CC=C(C(Nc3ccc(cc3)Oc4ccc5n(c4)cc(NC(=O)C6CC6)n5)=O)C2=O)CC)F	6388
+C1CC1C(=O)Nc2nc3n(n2)cc(cc3)Oc4cc(c(cc4)C)NC(=O)c5c(C)sc(C)n5	2015
+C1CC1C(=O)Nc2nc3n(cc(Oc4ccc(c(c4)NC(c5c(nn(CC)c5)C)=O)Cl)cc3)n2	3737
+CC(C)(C)OC(=O)N1CCC(C1)Oc2ccc(cc2)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5	3738
+c1cc(ccc1-c2c3n(ccc2)nc(c3)NC(=O)C4CC4)C=O	1009
+FC(F)(F)Oc1cc(ccc1)C(=O)Nc2c(cc(Cl)c(Oc3c(C#N)c4sc(NC(=O)C5CC5)nc4cc3)c2)F	67
+C1CC1C(=O)C(c2ccc(cc2)Cl)C#N	1260
+c1ccc(C)cc1C(CCCCl)=O	6389
+Clc1cc(cc(Cl)c1O)-c2ccc3ncc(c(c3c2)NC4CCC(CC4)CN5CC(O)CC5)C(C6CC6)=O	99
+C1CC1C(c2cnc3c(c2Cl)cc(Br)cc3)=O	120
+C1CC1C(Oc2cccc3ccccc23)C(OCC)=O	289
+C1CC1C(C(Nc2ccc(cc2)Cl)=O)Oc3c4c(cccc4)ccc3	33
+C1CC1C(=O)CC(=O)C2CC2	3739
+C1CC1C(=O)CC(C)=O	6390
+C1CC1C(CC(=O)C(=O)OCC)=O	1135
+C1CC1C(=O)CC(=O)c2c(cc(cn2)Cl)Cl	6391
+C1CC1C(Nc2c3cc(cn3ncc2C(=O)N)Br)C	719
+C1CC1C(NCCCn2c3ncnc(N)c3nc2Sc4cc(Cl)cc(c4)Cl)C	132
+c1cc(ccc1Cl)Cn2c3c(NC(C4CC4)C)nc(nc3nc2-c5c(ccc(C)c5)OCCC=C)Cl	516
+C1CC1C(C)n2ncc(-c3nc(cc4nccn34)-c5cnn(C)c5)c2	2010
+C1CC1C(C)Oc2cccc(C(OC)=O)c2	20
+C1CC1C(Oc2cccc(c2)C(O)=O)C	1
+C1CC1C(C2CC2)(O)C#Cc3ccc(cc3)C(NS(=O)(=O)c4c(cccc4)S(=O)(=O)N)=O	121
+c1cc(ccc1OC)Cn2ncc3c2nc(cc3C(OCC)=O)C4CC4	3740
+CC(C)(C)Cc1nc(ccc1-c2cc(ccc2F)OC)COc3cc(ccc3F)C(CC(=O)OC)C4CC4	412
+CC(C)(C)Cc1c(ccc(n1)COc2cccc(C(CC(=O)OC)C3CC3)c2)-c4cc(OC)ccc4F	1538
+CC(C)COc1cc(COc2cccc(C(CC(OC)=O)C3CC3)c2)c(nc1-c4cc(OC)ccc4F)OC	20
+CC(C)(C)CCc1c(OCc2cccc(C(C3CC3)CC(=O)OCC)c2)ccc(-c4cc(ccc4F)OC)c1	20
+C1CC1C(=O)C(CCCC)C(=O)OCC	6392
+C1CC1C2(COCC(=O)N2)c3c(ccc(c3)Br)F	467
+C1CC1c2nc(on2)C3CN(CC(C3)c4ccc(cc4)OC(F)F)C(=O)N5CCS(CC5)(=O)=O	2584
+c1ccccc1Oc2c3c(ccc2Br)N(C(C4CC4)=O)C(CC3)C	472
+C1CC1C(N2C(C)CCc3c(cccc23)O)=O	5
+C1CC1CN2C3Cc4ccc(OCC)cc4C5(CC2)COCCC35	15
+C1CC1C(N2C3C4CCOCC4(CC2)c5c(C3)ccc(OCC)c5)=O	116
+C1CC1C(=O)N2CC(CC2)CN	51
+C1CC1C(N2CC(CC3=NNC(=O)N3c4c(F)cc(c(c4)F)Br)CC2)=O	2585
+C1CC1C(N2CC(CC3=NNC(=O)N3c4cc(F)c(-c5ccc6occc6c5)cc4F)CC2)=O	99
+C1CC1C(=O)N2CCC(Cn3c(-c4ccc(cc4)Br)nc5c3cc(F)cc5)C2	1301
+C1CC1C(N2CC(CNc3c(N)ccc(c3)F)CC2)=O	0
+C1CC1C(N2CC(CC2)CC(=O)NNC(Nc3c(F)cc(c(c3)F)Br)=O)=O	3741
+C1CC1C(N2CC(CC2)CC(=O)NNC(Nc3ccc(c(F)c3F)Br)=O)=O	3741
+FC(F)(F)c1c(NC(NNC(=O)CC2CN(C(=O)C3CC3)CC2)=O)ccc(Br)c1	3742
+c1cc(ccc1Br)NC(=O)NNC(=O)CC2CN(C(=O)C3CC3)CC2	3742
+C1CC1C(N2CCC(C2)CC(=O)NN)=O	743
+C1CC1C(=O)N2CCC(CC2)C(O)=O	3
+c1ccccc1C(C)NC(C2CC2)CN	51
+C1CC1C(NC2COC3C(N)COC23)=O	18
+CCC(CC)Oc1cc(C(NC2COC3C(COC23)NC(C4CC4)=O)=O)ccc1	14
+c1cc(ccc1Oc2cccc(C(NC3C4OCC(C4OC3)NC(C5CC5)=O)=O)c2)OCC	14
+CC(C)(C)OC(=O)NNc1cc(CNC(C2CC2)=O)ccc1Cl	1609
+C1CC1c2oc(-c3c(N)ncc(Br)c3)nn2	3743
+c1cc(ccc1-c2nc(C3c4nnc(C5CC5)n4CCC3)n6c2c(ncc6)NCc7c(OC)cc(cc7)OC)C(=O)OC	6393
+C1CC1c2nnnn2-c3c(F)ccc(c3)[N+](=O)[O-]	6394
+C1CC1C(Nc2c(cnn3cc(cc23)-c4cc(ccc4)C=C)C(=O)N)C	550
+CC(C)(C)OC(NC1CN(CCC1)c2c3c(NC(C4CC4)=O)c[nH]c3ncc2OCC)=O	1610
+c1cc(ccc1)-c2noc(C)c2-c3oc(nn3)-c4ccc(cc4OC)N(C(C5CC5)=O)C	239
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)C3CC3)ccc2	17
+C1CC1C(Nc2nc3n(nc(Oc4ccc(Cl)c(NCc5cc(C)nn5C)c4)cc3)c2)=O	2586
+C1CC1C(Nc2nc3n(nc(cc3)Oc4ccc(c(N)c4)C)c2)=O	2586
+C1CC1C(Nc2nc3n(nc(Oc4ccc(F)c(N)c4)cc3)c2)=O	2586
+FC(F)(F)c1cc(Cl)c(cc1)NC(Nc2cc(N(c3nc4sc(NC(=O)C5CC5)nc4cc3)C)ccc2F)=O	124
+FC(F)(F)c1cccc(CNC(Nc2c(ccc(c2)Oc3ccc4nc(sc4n3)NC(C5CC5)=O)F)=O)c1	675
+C1CC1C(Nc2nc3n(nc(Oc4cc(NC(c5sc(C)nc5OC)=O)c(cc4)F)cc3)c2)=O	6395
+C1CC1C(Nc2nc3n(nc(Oc4cc(NC(c5cc(C)nn5CCOC)=O)c(cc4)F)cc3)c2)=O	187
+C1CC1C(=O)Nc2nc3ccc(Oc4cc(NC(=O)C5CCCC5)c(C)cc4)nn3c2	26
+C1CC1C(Nc2ncc3cc(-c4cc(ccc4C)NC(N5CCOC(CO)C5)=O)ccc3c2)=O	2016
+C1CC1C(Nc2ncc3c(ccc(-c4c(C)ccc(N)c4)c3)c2)=O	99
+C1CC1C(Nc2ncc3c(ccc(-c4c(cc(cc4)Cl)C)c3)c2)=O	11
+C1CC1C(c2c(O)c(Br)ccc2)C	564
+C1CN(CCN1c2ncc(c3ccccc23)[N+]([O-])=O)C(=O)C4CC4	10
+C1CN(CCN1C(OCc2ccccc2)=O)C(=O)C3CC3	10
+C1CC1C(NC2C3C(OC2)C(CO3)N=[N+]=[N-])=O	9
+FC(F)(F)c1ccc(-c2c(ncc(Br)c2)OC)c(c1)CN(CC)C(C3CC3)=O	10
+C1CC1C(=O)Nc2sc3nc(ccc3n2)Cl	373
+C1CC1C(=O)NNc2cnc3c(n2)cc(cc3)Br	355
+C1CC1C2Oc3cc(Cl)ccc3-c4c2cncc4	57
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C=2C(c3ccccc3)C(O)(ON=2)C4CC4	6396
+C1CC1C(Oc2cccc(c2)CCl)C	1331
+C1CC1C(Oc2cc(ccc2)CO)C	49
+C1CC1C(C(O)=O)Oc2c3c(cccc3)ccc2	3
+C1CC1C(c2cccc(Br)c2OCc3ccccc3)C	22
+C1CC1C(CC(=O)OC)c2cc(c(F)cc2)O	5
+C1CC1C(=O)c2cc3c4c(ccc3cc2)ccc(c4)Cl	155
+c1cc(ccc1C(=C(C=Cc2ccc(F)c(Oc3ccccc3)c2)F)C4CC4)Cl	6397
+C1CC1C(CC(=O)OC)c2cccc(c2)O	27
+C1CC1C(c2cnc3ccc(cc3c2Nc4ccc(nc4)NCCN(C)C)Br)=O	1332
+C1CC1C(=O)c2c(Nc3ccc(nc3)NCCN(C)C)c4cc(ccc4nc2)-c5cc(Cl)c(O)c(F)c5	99
+CC(C)COc1nc(CNc2ncnc(c2)C(CC(=O)OCC)C3CC3)ccc1-c4c(F)ccc(OC)c4	40
+CC(C)(C)[Si](C)(C)OC(c1nccs1)C2CC2	19
+C1CC1C(CC#N)n2cc(cn2)-c3nc(cc4n3c(cn4)Cl)-c5cn(C)nc5	6398
+C1CC1C(CC#N)n2ncc(-c3nc(-c4cn(C)nc4)cc5n3c(I)cn5)c2	6399
+CC(C)(CO)n1ncc(c1)Nc2nc(N3C(=O)C(C4CC4)(C#N)CC3)ccn2	486
+C1CC1C2(C(N(c3ccnc(Nc4ncc(cc4)C=5NC(ON=5)=O)c3)CC2)=O)C#N	834
+C1CC1C2(C3CC3)c4c(NC(O2)=O)ccc(-c5cc(C#N)cc(F)c5)c4	160
+C1CC1C2(C3CC3)OC(Nc4ccc(cc24)-c5cc(cc(c5)Br)F)=O	11
+FC(F)(F)CC(=O)Nc1ccc(cc1)Sc2nc(cc(N3CC(C3)(C4CC4)F)n2)Nc5n[nH]c(c5)C	3624
+C1CC1C2(CN(C2)c3cc(Nc4n[nH]c(c4)C)nc(S(=O)(=O)C)n3)F	528
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C4(NC(=O)COC4)C5CC5)c(F)cc3	2017
+C1CC1C2(c3c(ccc(c3)NC(=O)c4ccc(cn4)Cl)F)NC(=S)COC2	187
+C1CC1C(c2cc(Br)ccc2F)(CO)N	886
+C1CC1C2(c3c(ccc(c3)NC(=O)c4ccc(cn4)Cl)F)NC(=N)COC2	2518
+c1nc(ncc1)NC2C(C)C(N(c3c2cc(cc3)Br)C(=O)C)C4CC4	1333
+C1CC1C2N(c3ccc(cc3C(C2C)Nc4cccc(n4)C)-c5cn(nc5)CCOC)C(=O)C	340
+CC(C)(C)OC(NC(COc1cc2OC(C3CC3)c4c(ccnc4)-c2cc1)CC(C)C)=O	556
+c1cc(ccc1C(NCCCN(C)C)=O)N2C(C=3C(=N2)c4ccccc4NC=3C5CC5)=O	93
+C1CC1C(n2cc(cn2)-c3n4c(ncc4)cc(-c5cnn(C)c5)n3)CC#N	3744
+C1CC1CN2CCN(CC2)c3c(cccc3)Br	61
+CC(C)(C)OC(N(CC1CC1)C2CC2c3cc(C(=O)OC)ccc3)=O	6400
+CC(C)(C)OC(N1CCC(CC1)N2CCN(CC2)CC3CC3)=O	61
+C1CC1CN2CCc3c(ccc(Oc4ncc(-c5onc(n5)C)cc4)c3)CC2	61
+C1CC1C(c2cc3c(cc2)ccc4ccc(Cl)cc34)O	1482
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(N)ncnc4n(CC5N(CCC5)C(C(=CC6CC6)C#N)=O)n3)F	847
+C1CC1CN2Cc3c(nc(nc3N4C(C)COCC4)Cl)C2	61
+c1cc(ccc1)CN(Cc2ccccc2)C(C(O)C3CC3)C(=O)OCC	6401
+c1cc(ccc1-c2c3c(N)ncnc3n(CC4N(CCC4)C(C(=CC5CC5)C#N)=O)n2)Oc6cc(F)cc(c6)F	847
+c1cc(ccc1-c2nn(C3CN(CCC3)C(C(=CC4CC4)C#N)=O)c5ncnc(c25)N)Oc6c(cccc6)F	847
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6c(ccc(F)c6)F	847
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6cccc(F)c6	847
+C1CC1CN(CC2CC2)CCn3ccc4c3ccc(C#Cc5ncc(cc5)-c6ccc(cc6)Cl)c4	61
+Clc1cc(cc(Cl)c1)NC(N(CC2(CCN(CC2)CC3CC3)c4ccc(cc4)I)C)=O	61
+C1CC(CCN1CC2CC2)Oc3ccc(cc3)NC(=O)C4CN(C4)c5cnccc5	61
+c1ccccc1Oc2cc(c(cc2)-c3nn(CC4N(CCC4)C(C(=CC5CC5)C#N)=O)c6ncnc(N)c36)F	847
+FC(F)(F)c1cc(N(C(C)(C)C)CC2CC2)ccc1[N+]([O-])=O	936
+CC(C)(C)OC(=O)N1CC2(CN(CC2)c3ccc(cc3F)N4C(=O)c5c(cc(OCC6CC6)cc5)C=C4)CC1	8
+CC(C)(C)OC(=O)N1CCC(CC1)OCC2CC2	176
+CC(C)(C)OC(N1CCC=2C(COCC3CC3)(C1)Cc4cnn(c4C=2)-c5ccc(cc5)F)=O	176
+CC(C)(C)OC(NC1C(c2ccccc2)Oc3c(cccc3)N(CC4CC4)C1=O)=O	988
+CC(C)(C)OC(N(c1c(CC)nn2c(cccc12)Br)CC3CC3)=O	6402
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(=O)NC2=C(N(C(N(Cc3ccccc3F)C2=O)=O)CC4CC4)N	6403
+CC(C)(C)OC(N1CC(c2cc(OCC3CC3)ccc2C1)O)=O	8
+CC(C)(C)OC(N1CCC(CC1)CCc2noc3c(CO)c(ccc23)OCC4CC4)=O	8
+CC(C)(C)OC(NC(C)COC1CCN(CC1)c2oc3cc(OCC4CC4)ccc3n2)=O	8
+CC(C)(C)OC(=O)NC1C(=O)N(C(CCC1)c2ccccc2)CC3CC3	638
+CC(C)N1CCC(CC1)Oc2ccc3c(c2)cc4n3C(CN(C4=O)CC5CC5)C	3459
+C1CC1CN2CCN(c3sc(c(n3)C)C(OCC)=O)C2=O	1794
+FC(F)(F)COc1c(Cl)cc(C(CC2CC2)C(OCC)=O)cc1Br	3611
+FC(F)(F)Oc1ccc(cc1)CC(C#N)(C#N)CC2CC2	3745
+FC(F)(F)c1cccc(F)c1C(=N)NOCC2CC2	6404
+C1CC1Cn2c3c(c(Nc4cc(ccc4)C(=O)OC)n2)CN(CC3)C(=O)C	338
+C1CC1COc2c(ccc(C(OC)=O)c2)C=O	8
+C1CC1COc2c(OCOC)cccc2Br	8
+C1CC1COc2ccccc2[N+]([O-])=O	8
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(OC)c(S(=O)(=O)CC3CC3)c2	3398
+C1CC1COc2cc(c(OC)cc2Br)F	8
+C1CC1CN2C(c3ccc(cc3C=C2)Br)=O	6405
+C1CC1CN2C(Cc3c[nH]c4c3cc(Br)cc4)CCC2	28
+C1CC1COc2ccc(nc2)Br	458
+C1CC1COc2c(cc(cc2)C(C)=O)Br	8
+C1CC1COc2ccc3c(c2)cc(c(Cl)n3)C=O	8
+c1cc(ccc1CCN2C3(CCN(CC3)Cc4ccccc4)C(N(C2=O)CC5CC5)=O)OC	3284
+C1CC(CCN1CC2CC2)Oc3ccc(cc3)-n4cc(C(N5CCCC5)=O)cn4	28
+C1CC1COc2ccc(cc2)C(CN3C(=O)c4c(N(Cc5ccc(cc5)-c6c(C#N)cccc6)C3=O)sc(c4)CC)=O	8
+c1cc(ccc1OCC2CC2)I	8
+C1CC1Cn2nc(c(Cc3ccc(cc3)OC(C)C)c2C)OC4OC(C(C(O)C4O)O)CO	338
+c1ccccc1CN(Cc2ccccc2)CC(CN3CCN(CC3)CC4CC4)OC	2587
+c1ccccc1CN(Cc2ccccc2)CC(CN3CCN(CC3)CC4CC4)OC	28
+C1CC1CN2C=Cc3nc(SC)ncc3C2=O	6406
+C1CC1CC(NNc2nccc(I)c2Cl)=O	1296
+C1CC1CC(NNc2c(c(OCc3ccccc3)ccn2)C#N)=O	1296
+C1CC1CC(C#N)c2ccc(C(=O)C)nc2	1867
+C1CC1CC(C#N)c2cnc(cc2)C(C)(C)O	6407
+FC(F)(F)COc1cc(ncc1C2CC2)C(NC(CC3CC3)(C)C#N)=O	81
+c1ccccc1COC(=O)NC(C)(C#N)CC2CC2	101
+FC(F)(F)COc1cc(ncc1Cl)C(=O)NC(C)(c2nc(on2)C)CC3CC3	81
+C1CC1CC(CC2CC2)n3cc(-c4n5c(ncc5)cc(n4)-c6cnn(C)c6)cn3	2010
+C1CC1CC(c2nc(on2)C)(NC(=O)OCc3ccccc3)C	6408
+C1CC2(CCN1c3cnn4c(c3Cl)nnc4CC5CC5)C=Cc6ccccc26	6409
+C1CC1CC(NNc2c(Cl)c(N3CCC4(CC3)C=Cc5ccccc45)cnn2)=O	355
+C1CN(CCN1C(CC2CC2)=O)S(=O)(=O)c3cccc4ccccc34	10
+C1CC1CC(C)(c2nc(on2)C)N	102
+C1CC1CCN2c3ccccc3C(=O)C2=O	3200
+c1cc(ccc1C(C)C)NC(C2CCN(CC2)C(CCC3CC3)=O)=O	10
+C1CC1CCCCCCCCC(=O)OCC=Cc2ccc(cc2)C	2580
+C1CC1CCCCCCCCC(=O)Cl	130
+FC(F)(F)c1ccc(cc1C(N2CCN(CC2)c3ccc4nc(C(=O)NCCCC5CC5)cn4n3)=O)F	2588
+C1CC1CCNc2nc(c3c(n(cn3)C4OCCCC4)n2)N	96
+C1CC1CCNCc2ccc(c(c2)F)Oc3cc4c(cc3)C(OC(C)(C)O4)=O	42
+c1cc(ccc1C#N)C2C(=O)N(c3ncc(C(NCCC4CC4)=O)cc3)N=C2	56
+C1CC1CCNC(c2ccc(nn2)Cl)=O	81
+C1CC1CCN2c3ccccc3C(c4cc5c(cc4O)OCO5)C2=O	462
+C1CC1CCN2C(C(c3cc4OCOc4cc3O)(O)c5c2cccc5)=O	3746
+C1CN(CCN1)c2nnc(cc2)C(NCCC3CC3)=O	212
+c1cc(ccc1F)C(=O)C2CCN(CC2)c3nnc(C(NCCC4CC4)=O)cc3	212
+CC(C)(C)OC(N(CCC1CC1)Cc2ccc(c(F)c2)Oc3cc4c(cc3)C(OC(C)(C)O4)=O)=O	23
+C1CC1CCNc2nc3c(c(N)n2)nc(OC)n3C4CCCCO4	1010
+C1CC1CCOc2cc3c4c(ccc(Br)c4)ccc3cc2	20
+C1CC1CCOc2ccc(cc2)OC3C(=O)NCC3	20
+C1CC1CCOc2cc3c(cc2)ccc4ccc(cc34)CC(C)(C)O	2589
+C1CC1COc2ccc3cccc(NC(=O)C)c3c2	72
+C1CC1CN2CC(c3cccc(OC)c3)=CCC2	2480
+C1CC1COc2cc(F)c(c(c2)F)-c3c(C(=O)c4ccc(cc4Cl)F)c(nn3C)C	116
+CC(C)(C)OC(=O)NNc1cccc(C(=O)NCC2CC2)c1	14
+CC(C)(C)OC(NC(C)c1nc2c(c(C(NCC3CC3)=O)c1-c4ccccc4)cc(cc2)F)=O	14
+C1CC1CNc2c([N+]([O-])=O)cc(S(=O)(=O)C(C)C)cc2	205
+FC(F)(F)c1c(cnc(N)n1)CNCC2CC2	2590
+FC(F)(F)c1nc(ncc1C(=O)NCC2CC2)Nc3c(Cl)cc(cc3)Cl	484
+C1CC1CNc2ccnc(n2)N	40
+C1CC1CNS(=O)(=O)C	111
+c1cc(ccc1Cl)-c2ccc(nc2)C#Cc3cc4c(cc3)n(CCNCC5CC5)cc4	285
+O=S(=O)(c1ccccc1-c2cc(c(NC(=O)CNCC3CC3)cc2)F)C	1229
+C1CC1CNC(c2nccc(c2)Cl)=O	81
+C1CC1CN2C(Cc3c2ccc([N+]([O-])=O)c3)=O	1611
+C1CC1CNc2nc(C)nc(c2C)O	40
+C1CC1CNc2nccc3c2nc(nc3)Nc4ccc(cc4C)-c5cn(nc5)C	6410
+C1CC1CNc2cncc(Cl)n2	464
+C1CC1CN2C(c3c(cc(cc3)Br)C(C(OC)=O)=C2)=O	6411
+C1CC1CNCCN2C(=O)N3C(C)(C2=O)Cc4c([nH]c5ccc(OC)cc45)C3c6cc(ccc6)O	132
+c1cc(ccc1)Nc2ncc(c(n2)NCC3CC3)CC(C(OC)=O)c4ccc(cc4)OC	40
+c1cc(ccc1-c2cncc3ccc(C(=O)NCC4CC4)cc23)Cl	14
+c1cc(ccc1C(NCC2CC2)=O)-c3cc(ccc3C)-c4nnc(C)o4	93
+c1cc(ccc1COc2cccc(c2)CNCC3CC3)Cl	42
+c1cc(ccc1S(=O)(=O)Nc2c3c(nc(NC4c5c(CC4)cccc5)cc3)ccc2)NCC6CC6	60
+C1CC1CNc2c3ncn(C)c3nc(n2)Cl	516
+C1CC1CNc2nc(cnc2)-n3cnc4ccc(N)cc34	464
+C1CC1CN(C(N(N=O)CCCl)=O)C2OC(CO)C(C(O)C2O)O	2591
+C1CC1CN(c2nc(Cl)c(nc2)C=O)C	6412
+C1CC1CN(c2ncnc(C(=O)OC)c2)CCC	3671
+c1cc(ccc1NC(c2ncnc(N(CC3CC3)CCC)c2)=O)Cn4ccnc4	187
+c1ccccc1CN2Cc3c(OCC2)nc(N(CC4CC4)C)cn3	799
+C1CC1CN(c2cnc(c(Cl)n2)CN(CCO)Cc3ccccc3)C	879
+C1CC1CN(CCC)c2ncnc(C(=O)O)c2	1
+C1CC1CN2C(CO)=C(OCCCC)c3cc(ccc3C2=O)Br	3747
+C1CC1CN2C(NC(=O)C=C2NN=Cc3ccnc4ccc(cc34)Cl)=O	3748
+c1cc(ccc1)C2Oc3ccccc3N(C(=O)C2NC(C(NC(=O)Cc4cc(F)cc(F)c4)C)=O)CC5CC5	207
+C1CC1CN2C(=O)N(c3nc(c(C(NCc4ccccc4)=O)s3)C)CC2	454
+C1(=O)c2ccccc2C(=O)N1CC=3N(C(=O)c4ccc(cc4C=3OCCCC)Br)CC5CC5	3749
+C1CC1CN2C(=O)c3c(C(CO)=C2)cc(-c4c(ccc(C(NC5CC5)=O)c4)C)cc3	6413
+C1CC1CN2C(=C(c3cc(Br)ccc3C2=O)OCCCC)C(O)=O	108
+C1CC1CN2c3ccccc3-c4ccccc4C(NC(=O)C(C)(F)C(O)=O)C2=O	3
+C1CC1CN2C(=O)c3c(C(OCCCC)=C2CCl)cc(cc3)Br	3750
+C1CC1CN2c3c(cc(cc3)N)CC2=O	0
+C1CC1CN2c3nn(Cc4c[nH]c5ccc(cc45)C)c(-c6cc(cn6C)C(=O)O)c3C(=O)N(C)C2=O	3751
+C1CC1CN2C(=CC(=O)NC2=O)NN	2592
+CC(C)N1CCCN(CC1)CC=2c3cc(-c4c(ccc(C(NC5CC5)=O)c4)C)ccc3C(N(CC6CC6)C=2)=O	85
+C1CC1CN2C=C(C(OC)=O)c3c(C2=O)ccc(c3)-c4cc(C(NC5CC5)=O)ccc4C	99
+C1CC1CN2C=C(c3cc(Br)ccc3C2=O)C=O	3752
+c1ccccc1COc2c3c4c(cc2)CC5N(CCC46C(C(O)CCC56O)O3)CC7CC7	22
+C1CC1CN2C(=O)c3ccc(cc3C(C(O)=O)=C2)-c4cc(C(NC5CC5)=O)ccc4C	127
+c1cc(ccc1N2CCN(CC2)C)Nc3nc4c(C(=O)N(C=C4Br)CC5CC5)cn3	1334
+C1CC1NC(=O)c2ccc(c(-c3ccc4c(C(=CN(C4=O)CC5CC5)C=O)c3)c2)C	99
+C1CC1NC(c2cc(F)c(c(-c3cc4c(cc3)C(=O)N(C=C4C=O)CC5CC5)c2)C)=O	99
+C1CC1CN2CC(CC2)COS(=O)(=O)C	710
+C1CC1CN2C3Cc4c5C6(CC2)C3(CCC(O)C6Oc5c(cc4)O)O	100
+n1cc(cnc1C(=O)N2CCN(CC2)CC3CC3)B(O)O	6414
+CC1(C)CC(CC(C)(C)C1)(O)c2c(N3CCN(CC3)CC4CC4)cccc2	251
+C1CC1CN2C(=O)N(CC2)c3sc(c(n3)C)C(O)=O	6
+c1cc(ccc1-c2nc(N3CCOCC3C)c4c(CN(C4)CC5CC5)n2)NC(NCCC)=O	261
+CC(C)(C)OC(NCC(CNc1cc2c(cc1)N(CC3CC3)C(=O)C2)O)=O	843
+C1CC1CN2C(C(c3c(cccc3)-c4ccccc24)NC(C(C(=O)OCC)(F)C)=O)=O	6415
+FC(F)(F)C(F)(F)CCNC(C(C)(F)C(NC1C(N(c2c(-c3c1cccc3)cccc2)CC4CC4)=O)=O)=O	3543
+C1CC1CN2c3nn(c(-c4n(C)cc(c4)C(NC)=O)c3C(=O)N(C)C2=O)Cc5c[nH]c6ccc(cc56)C	56
+c1cc(ccc1-c2nc(NCC3CC3)sc2)Br	354
+c1cc(ccc1NC(NCC2CC2)=O)C(O)=O	6
+c1cc(ccc1[N+]([O-])=O)Oc2ccnc(C(=O)NCC3CC3)c2	242
+C1CC1CN(CC)Cc2nnc3CN=C(c4c(ccc(c4)F)-n23)c5ccccc5F	894
+C1CC1CN(CC2CC2)c3c(C#N)cc4nc(C)n(C)c4n3	43
+C1CC1CN(CCC)C(c2n(C)nc3c(cccc23)-c4ccc(cc4Cl)Cl)=O	3753
+C1CC1CN(CCC)c2nc(nc(C(=O)OC)c2)Cl	54
+C1CC1CN(c2ccnc(Cl)n2)S(=O)(=O)C	6416
+CC(C)(C)c1c(N2CCN(CC2)C(CCC(NS(=O)(=O)NCC3CC3)=O)=O)cccc1	344
+CC(C)S(=O)(=O)c1ccc(NCC2CC2)c(c1)N	0
+C1CC1CNc2nc(nc3n(cnc23)C)NC(CO)CC	96
+C1CC1CNc2c(cnc(N)n2)I	1154
+C1CC1CN(C)c2cncc(Cl)n2	6417
+CC(C)(C)c1cc(c(S(C)=O)cc1)NC(=O)c2cc(-n3nnc(-c4cnc(NCC5CC5)cc4)c3)c(cc2)C	67
+C1CC1CNc2ncc(cc2)-c3nnn(c3)-c4c(C)ccc(C(=O)O)c4	3754
+C1CCC(C1)NS(=O)(=O)c2cc(cc3c2ccc(OCC4CC4)n3)-c5c(noc5C)C	1155
+FC1(F)CN(C1)c2ccc(nc2OCC3CC3)C(=O)OC	91
+FC1(F)CN(C1)c2c(OCC3CC3)nc(cn2)C(=O)O	1335
+C1CC1COc2nccc(c2)OC3CN(C3)c4ccc(cc4)C(NC(C)=O)C	430
+FC(F)(F)COCc1cc(COCC2CC2)nc(Cl)n1	2404
+C1(=O)CCC(=O)N1OC(OCC2CC2)=O	6418
+C1CC1COc2cc(Br)cc(Br)c2	20
+C1CC1COc2c(cc(cn2)C(O)=O)Br	91
+C1CC1COc2c(Cl)cc(Br)cn2	91
+C1CC1COc2c(C#N)cc(cc2)Br	57
+C1CC1COc2c([N+](=O)[O-])ccc(F)c2	57
+c1cc(ccc1-c2c(OCC3CC3)ncc(C(=O)O)c2)Cl	91
+C1CC1COC(=O)Oc2ccc(cc2)[N+]([O-])=O	405
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2n3ncc(cc3nc2)-c4cnn(C5(CN(C5)C(=O)OCC6CC6)CC#N)c4	1011
+C1CC1CONC(=O)C2=CN(C(=O)C=C2Nc3ccc(Br)cc3F)C	3527
+C1CC1CONC(c2c(Nc3c(C)cc(Br)cc3)c(c4ncn(CCCC(CO)O)c4c2)F)=O	3755
+C1CN(CCN1C)CCCCn2cnc3c(c(c(C(NOCC4CC4)=O)cc23)Nc5c(C)cc(cc5)Br)F	61
+C1CC1CONC(c2c(Nc3c(C)cc(Br)cc3)c(c4c(n(cn4)CCCC=O)c2)F)=O	1156
+c1cc(ccc1)S(=O)(=O)C(=Cc2cc(-c3ncn(C)c3-c4ccc(cc4OCC5CC5)F)ncc2)C#N	2593
+C1CC1COc2cc(ccc2-c3n(C)cnc3-c4nccc(CO)c4)F	49
+C1CCN(C1)c2ccc(C(=O)O)nc2OCC3CC3	244
+C(C)C(CC)(NC(=O)c1ccc(Br)c(OCC2CC2)n1)C(=O)OCC	1008
+C1CC1c2ccc(nc2OCC3CC3)C(O)=O	940
+CC1(C)OB(OC1(C)C)c2cc(c(OCC3CC3)cc2)C#N	17
+C1CC1COc2ccc(S(=O)(=O)CC)cc2C3=CN(C(C(=C3)OC(F)F)=O)C	6419
+FC(F)(F)COC=1C(=O)N(C=C(c2c(OCC3CC3)ccc(S(=O)(=O)CC)c2)C=1)C	6420
+C1CC1COc2c(cc(C(=O)OC)cn2)Cl	6421
+C1CC1COc2c(nc(cc2)C(NC3(COC3)CC(N)=O)=O)Cl	81
+C1CC1COc2c(OC)ccc(-c3cccc4C(CCc34)=O)c2O	241
+C1CC1COc2c(cccc2I)OCOC	3756
+C1CC1COc2cc(C3(CCCC3)C(OCC)=O)ccc2N	0
+C1CC1COc2cc(ccc2[N+](=O)[O-])CC(OCC)=O	976
+C1CC1COc2c(Cl)cc(cn2)C(=O)O	1
+CC1(C)C(C)(C)OB(O1)c2cc(C(C)=O)ccc2OCC3CC3	17
+C1CC1COc2ncc(cc2Br)C(NC3C(O)CCCC3)=O	56
+C1CC1COc2cc(ccc2C=O)C(O)=O	1
+C[Si](C)(C)CCOCn1c(c(C(=O)OCC)c2c1c(ncn2)-c3c(OCC4CC4)cc(cc3)F)C	6422
+C1CC1COc2c(I)cccc2O	241
+C1CC1COc2cc(cc(Br)c2)Sc3cc(c(cc3)OCC(=O)OCC)C	1336
+C1CC1COc2cc(ncc2)CS(c3nc4c(cc(F)cc4)[nH]3)=O	172
+C1CC1COc2cc(Sc3ccc(OCC(=O)O)c(C)c3)cc(C#CCN4CCOCC4)c2	3
+CC1(C)OB(OC1(C)C)c2c(cc(c(OC)c2)F)OCC3CC3	585
+C1CC1COc2cc(Sc3ccc(OCC(=O)OCC)c(C)c3)cc(C#CCN4CCOCC4)c2	197
+C1CC1COc2c(-c3c(-c4nccc(C=O)c4)ncn3C)ccc(c2)F	39
+C1CC1COc2c(C=NOC)ccc(c2)C(O)=O	135
+C1CC1COc2cc(ccc2[N+](=O)[O-])CC(OCC)=O	27
+C1CC1COc2cc(ccc2[N+](=O)[O-])CC(O)=O	3
+C1CC1COc2cc3c(nc(c(CO)c3)NCCNC(C)=O)cc2	269
+C1CC1COc2c(C#N)cc(-c3ccnc(Nc4cn[nH]c4)c3)cc2	6423
+c1cc(ccc1S(=O)(=O)Cl)OCC2CC2	895
+C[Si](C)(C)C#Cc1ccc(cn1)OCC2CC2	961
+CC(C)(C)OC(=O)NC(C)COc1ccc(cc1)C#Cc2ncc(cc2)OCC3CC3	129
+C1CC(CCC1OCC(C)O)c2cc3ccc(OCC4CC4)cc3o2	100
+C1CC(CCC1c2cc3ccc(OCC4CC4)cc3o2)OCC(C)N=[N+]=[N-]	298
+C1CC1COc2ccc3cccc(N)c3c2	106
+C1CC1COc2ccccc2NS(=O)(=O)C	80
+O=S(=O)(C)Nc1c(OCC2CC2)cc(cc1)[N+]([O-])=O	31
+C1CC1COc2ccccc2N	0
+C1CC1COc2cc(CSc3nc4c(cc(F)cc4)[nH]3)ncc2	602
+C1CC1COc2ccc(cn2)OC3C(N(c4cc(F)c5CCC(O)c5c4F)CC3)=O	654
+c1cc(ccc1-c2c(ncc(C(=O)NC3CCCCC3O)c2)OCC4CC4)C#N	89
+C1CC1Cc2c(-c3nc(ncc3)S(C)=O)cnc(N)n2	172
+C1CC1Cc2c(OCCCOc3c(CCC)c4c(cc3)CCC(CCC(=O)OCC)O4)ccc(C(=O)NC)c2OC	297
+C1CC1Cc2c(O)c(ccc2O)C(=O)NC	513
+C1CC1Cn2c3c(nc2Cc4ccc(cn4)OCC)cc(C#N)cc3	788
+CC(C)(C)OC(=O)NC1C(CCN(C1)C(c2cc(c3c(c2)nc(-c4cc5cccnc5n4CC6CC6)n3C)OC)=O)O	30
+C1CC1Cn2c(cc3cccnc23)-c4nc5c(c(cc(C(=O)O)c5)OC)n4C	1
+C1CCN(C1)C(c2ccc3c(nc(n3CC4CC4)Cc5ccc(cn5)OCC)c2)=O	30
+C1CC1Cn2c3c(c(Nc4cc(C(O)=O)ccc4)n2)CN(CC3)C(=O)C	1
+CC(C)(C)OC(NC1CN(C(=O)c2cc(c3c(c2)nc(-c4cc5cccnc5n4CC6CC6)n3C)OC)CCC1)=O	2594
+CC(C)(C)OC(NC1CN(CCC1)C(=O)c2ccc3c(c2)nc(-c4cc5c(nccc5)n4CC6CC6)n3C)=O	2594
+C1CC1Cn2c(cc3cccnc23)-c4nc5cc(C(OC)=O)cc(c5n4C)OC	2594
+C1CC1Cn2c(nc3cc(ccc23)C(O)=O)Cc4ccc(cn4)OCC	872
+C1CC1Cn2nc(OC3C(O)C(O)C(C(O3)COC(OCC)=O)O)c(Cc4ccc(cc4)OC(C)C)c2C	405
+C1CCC(C1)Nc2cc(Cl)cc3c(c(-c4ccc(cc4)OC)nn23)-c5ccnc(NC6CC6)n5	306
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(s4)-c5cn(CCN6CCCC6)nn5)ncc3	1337
+C1CC1NC2CCN(CC2)c3ncc(C)nc3	87
+C1CC1NC2CCN(CC2)c3ncc(nc3)CC	87
+C1CN(CCC1NC2CC2)c3onc(n3)C(C)C	87
+C1CN(CCN1C)c2c(c(NC3CC3)c([N+]([O-])=O)c(c2F)Cl)C	60
+C1CN(CCN1C)c2c(cc(c(c2CC)NC3CC3)[N+]([O-])=O)F	60
+C1CC1NC(=O)c2cnc(N3CCN(CC3)Cc4cc5NC(=O)C6CCCN6c5nc4)cc2	56
+C1CN(CCO1)c2c3ncc(cc3nc(Cl)n2)-c4ccc(cc4)C(NC5CC5)=O	14
+CC(C)(C)NS(=O)(=O)c1cc(S(=O)(=O)NC2CC2)ccc1	71
+CC(C)(C)OC(CNC1CC1)=O	1459
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(Oc4ccc(cc4F)NC(NC5CC5)=O)c3s2)cc1)CCOC	675
+CC(C)(C)OC(=O)N1C(CCCC1)CCOc2c3c(cc(c(NC(NC4CC4)=O)c3)Cl)nc(O)c2-c5cc(C)cc(C)c5	675
+CC(C)(C)OC(=O)N1CCC(CC1)CCOc2c(cc3c(c2)nccc3Oc4ccc(c(Cl)c4)NC(NC5CC5)=O)C#N	1337
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cc3c(c(Oc4ccc(c(F)c4)NC(NC5CC5)=O)ccn3)cc2C#N	238
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)C(C)C(NC3CC3)=O	9
+CC(C)(C)OC(=O)CC(CCCC1CCCCC1)c2onc(n2)CNC3CC3	6424
+CC(C)(C)OC(N(C)C1c2c(C(c3ccc(c(Cl)c3)Cl)CC1)ccc(C(=O)NC4CC4)c2)=O	14
+CC(C)(C)OC(N1CC(F)(C(Cc2ccccc2)C1)CNC3CC3)=O	110
+CC(C)(C)OC(N1Cc2c(CC1)nc(nc2)NC3CC3)=O	435
+CC(C)(C)OC(=O)NC1CCN(c2ccc(C(OCC)=O)c(NC3CC3)c2F)C1	60
+CC(C)(C)[Si](C)(C)OCc1cc(c2c(cccn2)c1)CNC3CC3	249
+CC(C)(C)c1nc(NC2CC2)c3cc(I)ccc3n1	40
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)NC3CC3)ccc2C	2595
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(=O)NC3CC3	14
+CCN(CC)CC(O)COc1cc2nccc(Oc3ccc(c(Cl)c3)NC(NC4CC4)=O)c2cc1C#N	1337
+C1CC1NC=C(C(c2c(cc(F)c(c2C)F)F)=O)C(OCC)=O	2018
+C1CC1NC=C(C(=O)c2c(cc(c(c2)F)C=3CCN(CC=3)C(C)=O)F)C(=O)OCC	2018
+C1CC1NCC(=O)OCC	1459
+C1CC1NC=C(C(OCC)=O)C(c2c(c(c(F)c(F)c2)C#N)F)=O	6425
+C[Si](C)(C)CCOC(=O)c1cccc(S(=O)(=O)NC2CC2)c1	71
+C1CC1NC(c2ncc(OCc3c(C)onc3-c4ccccn4)cc2)=O	81
+C1CC1NC(c2nnc(OCc3c(noc3C)-c4cccc(F)c4)cc2)=O	780
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ccc(CN6CCOCC6=O)cn5)s4)ncc3	675
+ClC(Cl)=C1C2CCC1c3c2cccc3CNC4CC4	42
+C1CC1NCc2c(Cl)cc(cc2)Cl	42
+C1CC1Nc2c(cc(cc2)Cl)[N+](=O)[O-]	205
+Clc1nc(nc(Cl)n1)NC2CC2	387
+C1CC1NCc2nc(Cl)ncc2	1279
+FC(F)(F)C1(O[Si](CC)(CC)CC)CC2CCCc3c(cc4c(n(nc4)-c5ccc(cc5)F)c3)C2(CC1)C(NC6CC6)=O	9
+FC(F)Oc1c(c(c(c(c1F)F)[N+](=O)[O-])C(=O)C(=CNC2CC2)C(=O)OCC)F	2018
+C1CC1NC(c2ccc(Cn3c(c(c(n3)C)-c4cc(c(C#N)cc4)Cl)C)cn2)=O	81
+C1CC1NC(=O)C=2C(=O)c3c(N(c4cccc(Br)c4)N=2)nccc3	6426
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5cn(cn5)CC(OCC)OCC)s4)ncc3	1337
+C1CC1NC(c2ccccc2N)=O	1338
+C1CC1NCc2cc(C=CCOC)c(c(Br)c2)C	42
+C1CC1NCc2c(Cl)ccc(c2)CCNC(C)=O	42
+O=S(=O)(NC1CC1)c2c(Cl)ccc(c2Cl)[N+](=O)[O-]	71
+O=S(=O)(c1cc(ccc1F)[N+]([O-])=O)NC2CC2	71
+C1CC1NS(=O)(=O)c2c(OC)ccc(Oc3c(cc(cc3Cl)CC4C(=O)NC(=O)S4)Cl)c2	71
+O=S(=O)(c1ccc(cc1)C)n2c3c(c(nc(n3)Cl)NC4CC4)c(c2)I	974
+C1CC1NC(c2cc([N+]([O-])=O)c([N+]([O-])=O)cc2Cl)=O	14
+C1CC1Nc2cc(c(cc2[N+](=O)[O-])F)F	60
+C1CC1N2c3c(cc(cc3F)[N+]([O-])=O)CC2=O	1611
+C1CC1Nc2c([N+](=O)[O-])cccc2	60
+C1CC1Nc2cc(nc3ccnn23)Cl	1005
+C1CC1Nc2c(F)c(N3CCN(CC3)C)c(c(F)c2[N+]([O-])=O)F	60
+C1CC1Nc2c([N+](=O)[O-])ccc(c2Br)F	60
+C1CC1NC(=O)c2cccc3sc(cc23)-c4nc(ncc4Br)Cl	14
+C1CC1NCc2ccc(cc2OC(CC=C)C)C	42
+c1(cccc(F)c1N2C(=O)C=Cc3c(nc(NCCCN(CC)CC)nc23)-c4cccc(C(=O)NC5CC5)c4C)F	14
+C1CC1Nc2c(cnc3n(ncc23)CC)C(OCC)=O	1594
+c1c(F)c(c(cc1)F)N2c3nc(NCCCN(CC)CC)nc(-c4cc(ccc4)C(=O)NC5CC5)c3C=CC2=O	14
+C1CC1NC(=O)Nc2ccc(I)cc2F	2595
+C1CC1Nc2cc(C#N)ccc2[N+]([O-])=O	60
+C1CC1NC(=O)c2c(ccc(Br)c2)Cl	14
+C1CC1NCCN2C(=O)C3(N(C2=O)C(c4cc(ccc4)O)c5[nH]c6ccc(OC)cc6c5C3)C	132
+C1CC1NC(c2cnn3ccc(nc23)N4C(c5cc(cc(OCCOC)c5)F)CCC4)=O	1339
+c1cc(ccc1)CC(NC(c2cccnc2-c3nc(sc3)-c4ccccc4)=O)C(O)C(NC5CC5)=O	9
+C1CC1NC(Nc2ccc(cc2)Oc3ccnc(NC(CCC)=O)c3)=O	238
+C1CC1NC(=O)Nc2cccc(c2)C(=O)c3c4c(ncnc4N)n(C5CCCC5)c3	238
+c1cc(ccc1)Oc2ccc(CNC(c3ccc(nc3N)NC4CC4)=O)s2	70
+c1cc(ccc1C(NC2CC2)=O)-c3oc(nn3)-c4c(noc4C)-c5ccccc5	6427
+c1cc(ccc1Br)CC(=O)NC2CC2	9
+c1cc(ccc1C(NC2CC2)=O)-c3nc(N)sc3	14
+c1cc(ccc1C(OCC)=O)-c2cc(-c3ccc4C(C)(C)CCC(C)(C)c4c3)c(cc2)OCCCNC5CC5	1918
+c1cc(ccc1CNC2CC2)C#C	42
+C1CC1Nc2c3cc(ccc3ncn2)-c4ccc(cc4)F	40
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4ccnc(n4)NC5CC5)C	435
+c1cc(ccc1C(c2ccc(cc2)F)CCNC3CC3)F	110
+c1cc(ccc1)CC(C(C(NC2CC2)=O)O)NC(c3c(-n4cc5ccccc5n4)nccc3)=O	9
+c1cc(ccc1)OC(NC2CC2)=O	101
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(CCN6C(CCC6)=O)cc5)s4)ncc3	1337
+C1CC1NC(Nc2c(Cl)cc(cc2)Oc3ccnc4cc(OCCOC)c(C(=O)OC)cc34)=O	238
+c1ccccc1S(=O)(=O)c2n[nH]c3c2cc(cc3)OCCNC4CC4	463
+C1CC1Nc2ncc(cc2)C#N	340
+C1CC1N2CCn3nc(cc3C2)[N+](=O)[O-]	6428
+C1CC1NC(=O)c2ccc(C)c(-c3cc4cnnc(C#N)c4cc3)c2	513
+C1CC1Nc2ncccc2C(Nc3c(nccc3C)OC)=O	70
+C1CC1N(C)Cc2c(ccc(C#Cc3ccc(cc3)CC(=O)OC)c2)C(=O)OC(C)C	129
+C1CC1N(C)Cc2c(ccc(C#Cc3ccc(cc3)CC(=O)O)c2)C(=O)OC(C)C	4
+C1CC1N(Cc2cccc(c2Cl)Cl)C(CC(N)CO)=O	102
+CC(C)(C)OC(=O)N(C(CO)CC(=O)N(C1CC1)Cc2cccc(c2Cl)Cl)CCC(=O)OC	23
+C1CC1N(Cc2cccc(c2Cl)Cl)C(CC(CO)NCCC(=O)OC)=O	1340
+C1CC1N(C(=O)C)Cc2nc(ncc2)NC(C)c3cc4cc(ccc4nc3O)Cl	96
+C1CC1N(c2cc(ccc2)NC(c3cc(C(C)(C)C#N)ccc3)=O)c4nc5c(nc(s5)NC(C)=O)cn4	67
+C1CC1N(c2cccc(C#N)c2Cl)C(c3cc(N4C(=O)Nc5c(c(C(=O)OC)sc5)C4=O)c(s3)Cl)=O	160
+C1CC1N(c2cccc(C#N)c2Cl)C(c3cc(c(s3)Cl)N4C(Nc5c(c(sc5)C(=O)O)C4=O)=O)=O	1
+C1CC1N(c2cccc(C#N)c2Cl)C(c3cc(N4C(=O)Nc5c(c(sc5)C(=O)N)C4=O)c(s3)Cl)=O	6429
+C1CC1Nc2c3ncc(n3nc(Nc4cc(C#N)cc(C(CCO)C)c4Cl)n2)C#N	6430
+O=S(=O)(c1ccc(cc1)C)OC=2C=3C(N(C4CC4)C(=O)N(c5cccc([N+](=O)[O-])c5)C=3N(C)C(C=2)=O)=O	6431
+C1CC1N2C(=O)COC3(CCN(CC3)C(CC(N)=O)c4ccc(cc4)-c5ccc6cccnc6c5)C2	83
+C1CC1N2C(=O)COC3(CCN(CC3)C(CC(O)=O)c4ccc(cc4)-c5ccc6cccnc6c5)C2	4
+C1CC1N2C(=O)N(Cc3ccc(c(Br)c3)C(F)(F)P(O)(O)=O)C(c4ccc(cc4)S(=O)(=O)C)=C2	228
+C1CC1N2C(N(N)C(=O)c3c2cc(F)c(F)c3)=O	6432
+C1CC1N2C(C(Nc3c(-c4nnn(C)n4)c(ncn3)N)C)=Cc5c(c(Cl)ccc5)C2=O	2596
+CC(C)(C)OC(NC1CN(c2c(F)cc3c(N(C4CC4)C(=O)N(N)C3=O)c2)CC1)=O	34
+CC(C)(C)OC(=O)NC(C1CN(c2c(C)c3c(C(N(N)C(=O)N3C4CC4)=O)cc2F)CC1)c5occn5	37
+CC(C)(C)OC(NCc1cc2nc(n(CCC(C)C)c2cc1)CN3c4ccccc4C(=O)N(C5CC5)C3=O)=O	2597
+CC(C)CCn1c2ccc(C(=O)OC)cc2nc1CN3c4ccccc4C(=O)N(C5CC5)C3=O	2597
+C1CC1N2C(C(Nc3c(-c4nc(on4)C)c(ncn3)N)CC)=Nc5cccc(Cl)c5C2=O	40
+C1CC1N2C(c3c(Cl)cccc3N=C2C(C)Nc4c(-c5noc(n5)C)c(ncn4)N)=O	40
+C1CC1N2C=C(C(c3cc(c(N4CCNC(C4)c5ccco5)cc23)F)=O)C(=O)O	202
+C1CC1N2C=C(C(c3c2cc(c(F)c3)N4CC(CCC4)(O)CNCC)=O)C(=O)O	34
+C1CC1N2c3c(c(N4CCNC(C4)C)c(F)c(N)c3C(C(C(O)=O)=C2)=O)OC(F)F	34
+C1CC1N2c3c(c(c(F)cc3C(C(C(O)=O)=C2)=O)N4CCCC(NC(C)=O)C4)OC	57
+CC(C)(C)OC(=O)N1CCN(c2c(c3N(C=C(C(c3cc2F)=O)C(O)=O)C4CC4)OC)CC1C	23
+C1CC1N2C=C(C(c3cc(F)c(N4CC(c5ccco5)N(C)CC4)cc23)=O)C(=O)O	113
+C1CC1N2c3c(C#N)c(c(cc3C(C(=C2)C(=O)OCC)=O)F)N4CC5NCCCC5C4	34
+C1CC1N2CCC(CC2C)Nc3nc(-c4cc(ccc4Cl)OCC5OC5)nc(-c6c(C)noc6C)c3C	2598
+CN(C)CC(O)COc1cc(-c2nc(c(c(-c3c(C)noc3C)n2)C)NC4CCN(C5CC5)C(C4)C)c(Cl)cc1	170
+C1CC1N2CCN(c3ccccc23)C(c4cnccc4Oc5c(cc(OCC(=O)OCC)c(c5)Cl)Cl)=O	52
+C1CC1N2CCN(C(c3cnccc3Oc4c(cc(O)c(c4)Cl)Cl)=O)c5ccccc25	2599
+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4c(cnc(CN5CCN(CC5)C6CC6)c4)nc3)C)cccc1	2019
+FC(F)Oc1cc(ccc1[N+]([O-])=O)N2CCN(CC2)C3CC3	34
+C1CN(CCN1c2nnc(cc2)-c3cc(ccc3)[N+]([O-])=O)C4CC4	212
+C1CN(CCN1c2nc3c(ccc(C#N)c3)o2)C4CC4	2600
+C1CC1N2CCc3cc(ccc3CC2)N	0
+C1CC1N2CCc3c(CC2)ccc(Nc4nc(c(cn4)F)NC5CCCN(C(C=C)=O)C5)c3	55
+C1CC1N2CCn3c(C2)cc(NC4=CC(=CN(C4=O)C)Br)n3	523
+C1CC1N2CCn3nc(cc3C2)N	161
+C1CC1N2c3cc(c(F)c(C)c3C(=O)C(C(=O)O)=C2)F	108
+CC(C)(C)OC(NCC(CNc1cc2c(c(F)c1)N(C(=O)C2)C3CC3)O)=O	843
+C1CC1N2C=C(C(c3c2c(c(F)c(F)c3C=C)F)=O)C(=O)O	108
+C1CC1N2C=C(C(c3c2c(c(c(F)c3N)F)OC(F)F)=O)C(O)=O	108
+C1CC1N2C(N(N)C(c3cc(c(N4CC(CC4)C(N)c5occn5)c(C)c23)F)=O)=O	34
+C1CC1N2c3c(cc(c(c3Cl)F)F)C(=O)C(C(=O)NCc4c(Cl)cc(cc4)Cl)=C2	3757
+C1CC2(CCN1c3c(F)cc4c(N(C5CC5)C=C(C(=O)NCc6c(Cl)cc(cc6)Cl)C4=O)c3Cl)CNC(C2)=O	34
+C1CC1N2c3c(CC2=O)cc(N)cc3F	0
+C1CC1N2CCN(C(c3cnccc3Oc4c(cc(c(Cl)c4)Br)Cl)=O)c5ccccc25	3758
+C1CC1N2c3cc(c(c(C)c3C(C(C(=O)O)=C2)=O)F)N4CC(NCC4)C	34
+CC(C)(C)OC(=O)N(C)C(Cc1ccccc1)CNC(=S)NC2CC2	1832
+C1CC1Nc2[nH]c3c(c(Br)c(Cl)c(Cl)c3)n2	3759
+C1CC1N2C(NC(=O)c3c2c(C)c(I)c(F)c3)=O	6433
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(s4)-c5cn(CC=O)cn5)ncc3	598
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ccc(cn5)CN(C(C)COC)C(=O)C)s4)ncc3	319
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(cc5)CN6CCN(CC6)C(CNC)=O)s4)ncc3	402
+C1CN(CCN1Cc2ccc(-c3sc4c(nccc4Oc5ccc(cc5F)NC(=O)NC6CC6)c3)nc2)CCF	123
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(CNC(COC)C)cc5)s4)ncc3	249
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncn(c5)CCN6CCN(CC6)C)s4)ncc3	61
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(s4)-c5ccc(C=O)cn5)ncc3	6434
+C1CC1NC(=O)c2c(cc(c(c2)N)N)Cl	0
+ClC(Cl)(Cl)c1[nH]c2cc(Cl)c(cc2n1)C(=O)NC3CC3	6435
+C1CC1NCc2c(ccc(c2)Br)Cl	162
+C1CN(CCN1C)CCOc2cc(ccc2)C(c3cnn(c3N)-c4cc(ccc4C)C(=O)NC5CC5)=O	28
+c1cc(ccc1OCCOc2cc(C(c3cnn(-c4c(ccc(C(NC5CC5)=O)c4)C)c3N)=O)ccc2)Cl	8
+O=S(=O)(c1nc2c(cn1)C=C(c3cc(C(=O)NC4CC4)ccc3C)C(=O)N2C)C	528
+CC(C)(C)C(NC(c1ccc(-c2cc(cc(c2C)F)C(NC3CC3)=O)nc1)=O)C	140
+CC(C)(C)OC(=O)n1ncc2cc(ccc12)-c3cc(C(NC4CC4)=O)cc(F)c3C	11
+C1CC1NC(=O)c2cc(c(c(c2)N3C=CNC(=NC(C)(C)c4c(SCCOCc5ccccc5)cccc4)C3=O)C)F	6436
+C1CC1NC(=O)c2cc(c(cc2)C)N3C=Cc4ccc(cc4C3=O)O	5
+CC(C)(N=C1NC=CN(c2c(C)c(cc(C(=O)NC3CC3)c2)F)C1=O)c4c(SCCO)cccc4	118
+C1CC1NC(=O)c2cc(c(cc2)C)N3C=Cc4ccc(cc4C3=O)OCCN5CCCOCC5	53
+C1CC1NC(c2ccc(c(N3C(c4cc(ccc4N=C3)OCC5NCCC5)=O)c2)C)=O	6437
+CC1(C)C(=O)N(C)c2c(N(C1)C3CC(F)(F)CC3)nc(nc2)Nc4ccc(cc4OC)C(NC5CC5)=O	55
+C1CC1CN2C(c3c(C(CN4CCCNCC4)=C2)cc(-c5c(ccc(C(NC6CC6)=O)c5)C)cc3)=O	2601
+CC(C)(C)OC(=O)N1CCC(CC1)(CCNc2ncc(Br)c(-c3cc4c(cccc4C(NC5CC5)=O)s3)n2)C	96
+C1CC1NC(=O)c2n[nH]c3CCN(Cc23)c4c5cc(c(cc5nnc4)CC)OC	3760
+C1CC1NC(=O)c2nnn(c2CCCOS(=O)(=O)C)-c3ccc(cc3)C(=O)NCC	7
+c1cc(ccc1-n2nnc(c2CCCN3C(c4c(cccc4)C3=O)=O)C(=O)NC5CC5)C(=O)NCC	896
+C1CC1NC(c2sc3nc(c(c(C)c3c2N)Cl)OCC)=O	3761
+C1CC1NC(=O)c2nc3cccnc3n2-c4cc(F)c(cc4)Cl	6438
+CC(C)(c1n(C2CC2)c(nn1)C3CC3)c4sccc4	3762
+C1CC(CCC1CN(c2ncc(cn2)Br)C)C(=O)N(CCN(C)C)C3CC3	6439
+C1CC1NC(C=2C(c3cccnc3N(c4cc(C#Cc5ccc[n+]([O-])c5)ccc4)N=2)=O)=O	103
+C1CC1NC(c2c(c3c(s2)nc(c(Cl)c3C)OC)N)=O	3763
+C1CC1Nc2nc(O)c(C#N)c(n2)-c3cccnc3	6440
+C1CC1NC(Nc2c(Cl)cc(Oc3ccnc4cc(c(C(O)=O)cc34)OCCOC)cc2)=O	1
+C1CC1NC(=O)c2sc3c(c(c(Cl)c(n3)O)C)c2N	104
+CC(C)(C)CNC(Cn1ncc2cc(ccc12)-c3cc(C(NC4CC4)=O)cc(F)c3C)=O	248
+c1cc(ccc1CNC(=O)Cn2c3c(cn2)cc(-c4c(c(cc(C(NC5CC5)=O)c4)F)C)cc3)C(NC)=O	248
+C1CN(CCN1CCO)CC=2c3c(C(=O)N(CC4CC4)C=2)ccc(-c5cc(C(NC6CC6)=O)cc(F)c5C)c3	2601
+CC(C)(C)OC(=O)N1C(C)CN(CC1)CC2=CN(CC3CC3)C(c4c2cc(cc4)-c5cc(C(NC6CC6)=O)cc(F)c5C)=O	2601
+CC(C)(C)[Si](C)(C)OCC(C)(C)CN1C(c2c(C(C=O)=C1)cc(-c3c(c(F)cc(C(NC4CC4)=O)c3)C)cc2)=O	19
+C1CC1NC(c2cc(N3C(C(NC=C3)=NC4(CC4)c5ccccc5OCC(O)CNCC)=O)c(C)cc2)=O	122
+C1CC1NC(c2cc(N3C(C(NC=C3)=NC4(CC4)c5c(OCC6OC6)cccc5)=O)c(C)cc2)=O	6441
+C1CC1NC(=O)c2c(Cl)cc([N+]([O-])=O)c(c2)N	0
+C1CC1NC(c2ccc(c(N3C=Nc4c(cc(OC)cc4)C3=O)c2)C)=O	6442
+CN(C)CCOc1ccc2N=CN(C(c2c1)=O)c3c(ccc(C(=O)NC4CC4)c3)C	72
+C1CC1NC(c2ccc(c(N3C(c4c(ccc(OCCN5CCCOCC5)c4)N=C3)=O)c2)C)=O	53
+C1CC1NC(c2ccc(c(N3C(c4cc(ccc4N=C3)OCC5N(C)CCC5)=O)c2)C)=O	113
+C1CC1NC(c2ccc(C)c(N3C(=O)c4cc(O)ccc4N=C3)c2)=O	5
+C1CN(CCN1c2ccc(cn2)Nc3ncc4scc(-c5cccc(C(NC6CC6)=O)c5)c4n3)CC	2602
+C1CC1NCc2c(cccc2)N	162
+c1cc(ccc1-c2ocnc2)C(N(C3CCN(CC3)C(=O)OC4(CC4)C)C5CC5)=O	30
+C1CC1N(C2CCN(CC2)c3ncc(cn3)Cl)C(=O)c4ccc(cc4)-n5ncnc5C	30
+C1CC1N2C=C(C(c3cc(c(c(C#N)c23)F)F)=O)C(=O)OCC	2020
+C1CC1N2c3c(C(=O)C(=C2)C(OCC)=O)c(C)c(c(F)c3)F	2020
+CC(C)(C)OC(N(CC(OCC)=O)C1CC1)=O	663
+c1(C)cc(cc(C)c1S(=O)(=O)N(CCO)C2CC2)OC	92
+C1CC1N(Cc2c(Cl)cc(Cl)cc2)CC(=O)c3ccccc3	676
+CC(C)(C)OC(=O)N(C1CC1)Cc2cc(Br)ccc2Cl	23
+C1CC1N2Cc3c(cccc3)NC2=O	3764
+CC(C)(C)OC(N(C1CC1)Cc2cc(C=CCOC)c(c(c2)Br)C)=O	23
+C1CC1N(Cc2nc(ncc2)Cl)C(=O)C	58
+c1(cc(cc(Cl)c1Oc2cc(S(=O)(=O)NC3CC3)c(cc2)O)CC4C(=O)NC(=O)S4)Cl	5
+C1CC1NS(=O)(=O)c2c(C)n(cc2)CC3CCCCC3	2603
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(S(=O)(=O)NC3CC3)c(C)n2CC4CCCCC4	1072
+C1CC1NS(=O)(=O)c2c(n(CC3CCCCC3)c(C(O)=O)c2)C	6
+CC(C)(C)OC(=O)NC(C)C(=O)Nc1ccc(F)c(Br)c1NC2CC2	33
+C1CC1Nc2c(N)ccc(F)c2Br	0
+C1CC1Nc2ccccc2N	0
+C1CC1n2c(nc3cc(F)c(cc23)F)-c4cc(C(C)(C)O)cnc4	6443
+C1CC1Nc2c(cc(F)c(F)c2)NC(=O)c3cc(cnc3)C(C)(C)O	246
+O=S(=O)(N(c1c(cc(Cl)cc1)[N+]([O-])=O)C2CC2)c3ccc(cc3)C	416
+C1CC1Nc2c3c(n(CC)nc3)ncc2C=O	3765
+C1CC1Nc2c3cnn(CC)c3ncc2C(O)=O	6
+C1CC1Nc2c3c(ncc2C=NO)n(CC)nc3	506
+CC(C)(C)OC(=O)n1c2c(c(n1)C)ccc(Nc3nc4c(occ4)c(n3)NC5CC5)c2	744
+C1CC1Nc2c(cnc3n(CC)ncc23)C(=O)N(C)OC	1012
+FC(F)(F)c1cc(ccc1-n2cnc(c2)C)C(Nc3ccc(C)c(c3)NC(c4csc5c4ncnc5NC6CC6)=O)=O	67
+CC(C)(C)OC(Nc1ccc(C)c(NC(c2csc3c(ncnc23)NC4CC4)=O)c1)=O	6444
+C1CC1n2c3c(nc2-c4cccnc4)ccc(c3)C#N	3766
+C1CC1Nc2cc(C#N)ccc2N	0
+CC(C)(C)OC(N1CCN(CC1)c2cc(NC3CC3)n4ncc(c4n2)C=O)=O	790
+CC(C)(C)OC(N(C1CC1)c2n3c(c(C=O)cn3)nc(Cl)c2)=O	1157
+C1CC1Nc2cc(SC)nc3n2ncc3C=O	3767
+C1CC1Nc2cc(N=[N+]=[N-])nc3c(cnn23)C=O	6445
+C1CC1Nc2n3c(c(C=O)cn3)nc(c2)N	1341
+C1CC1Nc2cc(nc3c(cnn23)C=C4NC(=O)NC4=O)SC	2021
+C1CC1Nc2c(cc(c(F)c2)F)N	0
+C1CC1Nc2n3c(c(C=C4NC(=O)NC4=O)cn3)nc(NC(=O)OC)c2	2021
+C1CC1Nc2cc(Cl)nc3n2ncc3C=O	2022
+C1CC1N(CC)c2ncc(cc2)C(=O)OCC	3505
+C1CC1Nc2n3ncc(C=C4SC(=O)NC4=O)c3nc(-c5ccnc(F)c5)c2	3768
+C1CC1Nc2nc(c(c(-c3cccc([N+]([O-])=O)c3)n2)C#N)SCC(N)=O	3769
+C1CC1Nc2nc(c(c(-c3cnccc3)n2)C#N)Cl	64
+C1CC1Nc2nc3c(c(-c4cccc(c4)[N+]([O-])=O)n2)c(c(C(N)=O)s3)N	3770
+C1CC1Nc2nc(Cl)c(C#N)c(-c3cc(ccc3)[N+]([O-])=O)n2	64
+C1CC1Nc2nc3c(c(c(s3)C(N)=O)N)c(-c4cnccc4)n2	3771
+C1CC1Nc2nc(cc(-c3cncc(-c4cc(ccc4)CN5CCN(CC5)C)c3)c2)-c6nc(C)ccc6	89
+Nc1nc(nc(N)n1)NC2CC2	1342
+C1CC1Nc2ncc3CN(c4cc(-c5nccs5)c(Cl)cn4)CCc3n2	43
+C1CC1Nc2nc3sc(c(N)c3c(-c4cc(ccc4)N)n2)C(N)=O	0
+FC(F)(F)c1ccc(cc1)NC(=O)Nc2cc(ccc2)-c3nc(nc4c3c(N)c(C(N)=O)s4)NC5CC5	124
+O=S(=O)(c1cc2n(cc1)ncc2)N(C3CC3)c4ccc(C#N)cn4	2023
+C1CN(CCN1C)Cc2cc3[nH]c(-c4ccc(c(C#Cc5ccc(NC6CC6)nn5)c4)C)nc3cc2	129
+FC(F)(F)c1c(-n2cnc(c2)C)ccc(NC(c3cc(c(C)cc3)C#Cc4ccc(NC5CC5)nn4)=O)c1	129
+C1CC1OC2CC(CO)N(C(c3cc(c4c(c3)nc(NCc5nccc(Cl)c5)o4)OC)=O)C2	30
+C1CC1OC2CC(CO)NC2	62
+CC(C)(C)OC(Cc1cc(Cl)c(cc1)OC2CC2)=O	2024
+CC1(C)C(C)(C)OB(O1)c2ccc(c(OC3CC3)c2)OC(F)F	17
+c1cc(ccc1SC2CC2)[N+]([O-])=O	411
+CC(C)(C)OC(=O)N1CCC(CC1)(c2cc(nc(Cl)n2)N3CCOCC3C)S(=O)(=O)C4CC4	23
+c1cc(ccc1)CN2CCC(CC2)(c3cc(nc(Cl)n3)N4CCOCC4C)S(=O)(=O)C5CC5	3772
+CC(C)(C)OC(N1CCOCC1CNS(=O)(=O)C2CC2)=O	111
+CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCN(CC3)S(=O)(=O)C4CC4)cn2)c5ccccc15	112
+CC(C)(C)OC(NCC1CCN(CC1)CCNS(=O)(=O)C2CC2)=O	111
+CC1(C)OB(OC1(C)C)c2cnn(S(=O)(=O)C3CC3)c2	2604
+C[Si](C)(C)CCOCn1c2ncc3ncc(n3c2cc1)C4CC(CC4C)NS(=O)(=O)C5CC5	111
+O=S(=O)(Nc1c(ccc(c1)C(=O)OC)F)C2CC2	80
+O=S(=O)(Nc1c(cc(cc1Oc2c(c(ccc2)NS(=O)(=O)CC)C)F)Nc3ccc(I)cc3F)C4CC4	80
+C1CC1S(=O)(=O)NC(C(Oc2cc3cnn(c3cc2)-c4cnccc4)c5cnc(OC)cc5)C	111
+O=S(=O)(C1CC1)Nc2cc(C)nc3c2c(c(Br)s3)-c4cc(OC)ccc4	80
+C1CC1S(=O)(=O)N2CC=C(CC2)c3cncc4cc(oc34)C=O	990
+O=S(=O)(C1CC1)NC2=CN(C(=O)C=C2Nc3c(F)cc(I)cc3)C	6446
+O=S(=O)(C1CC1)NCc2ccc(c(C(=O)Nc3ccc(OC)c(c3)C(Nc4ccc(cc4)Br)=O)c2)Cl	111
+O=S(=O)(N1CC(Nc2sc3cc(ccc3n2)Oc4cc(ncc4)-c5cnn(C)c5)CCC1)C6CC6	112
+C1CC1S(=O)(=O)N2CC=C(CC2)c3c4c(cc(C=C5C(=O)NC(=O)S5)o4)cnc3	2025
+CC(C)(C)OC(NC(C(C)CC(CCC=C)C)C(N1C(CC(O)C1)C(=O)NC2(C(C2)C=C)C(=O)NS(=O)(=O)C3CC3)=O)=O	207
+C1CC1S(=O)(=O)NC(C2(CC2C=C)NC(=O)C3C(C(N(CCCCC=C)C)=O)CC(Oc4ccnc(Cl)n4)C3)=O	145
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)C(=O)N(C)OC	164
+C1COCCC1CC(c2ccc(cc2)S(=O)(=O)C3CC3)C(CCC(c4ncc(C5OC(C)(C)OC5)s4)=O)=O	2605
+C1COCCC1CC(c2ccc(cc2)S(=O)(=O)C3CC3)C(=O)CCC(=O)c4ncc(C(C)(O)C(OC)OC)s4	2605
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)C(=O)C=C	1152
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)c4ccc([nH]4)-c5ncc(C(O)CO)s5	265
+C1CC1S(=O)(=O)Cc2cc(nc(n2)Cl)N3CCOCC3C	6447
+C1CC1Sc2c(Br)cc(C(C(=O)OCC)=CC3CCOCC3)cc2	6448
+C1CC1Sc2c(Br)cc(cc2)C(=O)C(=O)OCC	3773
+CC(C)(C)OC(=O)CCCCc1c(-c2ccc(cc2)F)nc3c(cc(C(C4CC4)=O)cc3)n1	3774
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cc2Cl)C(=O)C3CC3)=O	6449
+C1CC1C(=O)c2cccc(C)c2	3774
+c1cc(ccc1C(C2CC2)(O)C)Cl	6450
+C1CC1c2[nH]c(cn2)I	6451
+C1CC1c2n(-c3ccc(cc3)F)cc(n2)I	3775
+C1CC1c2ncn(C=3C=C4N(C(=O)CN=3)CCc5c(cccc45)-c6oncc6)c2	6452
+c1cc(ccc1C(C)Nc2c(cc([N+](=O)[O-])c(Nc3[nH]nc(C4CC4)c3)c2F)F)F	60
+C1CC1c2cc(n[nH]2)Nc3nc(NC(C)c4ncc(cn4)F)ncc3[N+](=O)[O-]	96
+C1CC1c2[nH]nc(Nc3nc(Cl)ncc3CO)c2	897
+CC(C)(C)[Si](C)(C)OCc1c(nc(Cl)nc1)Nc2n[nH]c(C3CC3)c2	19
+FC(F)Oc1c(c(nc2c(F)ccc(c12)OCC(=O)OC)CC)Cc3ccc(cc3)-n4nccc4C5CC5	1158
+CN(C)CCOc1cc(C2CC2)c(cc1)-c3cccc(N)n3	72
+C1CC1c2cc(OC)c(F)cc2-c3ncc4c([nH]nc4)c3	804
+C1CC1c2c(cncc2F)-c3cc4CCc5nnc(C)n5-c4c(F)c3	89
+C1CC1c2c(C#N)cc(Nc3nc(c(Cl)cn3)Cl)cc2	64
+C1CC1c2c(CO)c(F)ccc2	98
+C1CC1c2cc(C3=C(C4(CCN(CC4)OC)NC3=O)O)c(C)cc2C	997
+C1CC1c2c(C)n3c(ccc(c3)N4C=CC(OCc5ccc(F)cc5F)=CC4=O)n2	3776
+FC(F)(F)Oc1ccc(cc1CNC(Nc2n(-c3ccccc3)nc(C(=O)NC)c2C)=O)COC	3777
+FC(F)(F)Oc1c(CNC(=O)Nc2c(C)c(Oc3ccccc3)nn2-c4ccccc4)cc(COC)cc1	3777
+C1CC1c2cccc(c2CCl)F	229
+C1CC1c2c(COc3c(C)cc(cc3)-c4nn(c(C(=O)O)c4C)C)c(N5C(=O)N(N=N5)C)ccc2	6
+C1CC1c2c(COc3c(cc(-c4nn(C)c(c4C)C#N)cc3)C)c(N5C(=O)N(N=N5)C)ccc2	331
+C1CC1c2c(COc3c(C)cc(cc3)-c4c(c(C(=O)N)n(n4)C)C)c(N5C(=O)N(N=N5)C)ccc2	1612
+C1CC1c2cnc(C(=O)O)cc2Cl	6453
+C[Si](C)(C)CCOCN1C(=O)C(C)=C(c2c(cc(Oc3c(cccn3)C4CC4)cc2)C)N(C)C1=O	136
+C1CC1c2c(F)c(O)c(cc2Br)C=O	2606
+C1CC1c2c(c(c(O)c(C=O)c2)F)C3CC3	365
+C1CC1c2c(F)c(O)c(C=O)cc2	5
+C1CC1c2cc(C)c(cc2C#N)C(OC)=O	1013
+C1CC1c2ccncc2N3C(=O)N(c4ccnc(Cl)c4)CC3	6454
+C1CC1c2c(N3C(N(CC3)c4c(F)cc5ccsc5c4)=O)cncc2	6455
+C1CC1c2cnc(cc2Nc3c(cccc3)C(NOC)=O)Nc4cc(nn4CC)C	346
+C1CC1c2c(Nc3c(cccc3)C(NOC)=O)cc(nc2)Nc4n(C)nc(C)c4	346
+CC(C)(C)OC(c1cc(c(Oc2cc(c(C3CC3)nc2)OC(F)(F)C)cc1F)Cl)=O	551
+C1CN(CCC1(C)C)C(c2nc(c(C3CC3)cc2)OCC4OCCC4)=O	147
+c1cc(ccc1NC(=O)Nc2c(OCCC)c(C3CC3)cc(c2)Br)C4CC4	124
+C1CC1c2cc3c(cc2[N+](=O)[O-])nn(-c4ccc(cc4)Cl)c3C(=O)NC	81
+C1CC1c2cc3c(nn(c3C(=O)NC)-c4ccc(cc4)Br)cc2[N+](=O)[O-]	81
+c1cc(ccc1N2CCN(CC2)C)Nc3ncc4C=C(C(=O)N(Cc5c(F)cccc5C6CC6)c4n3)Br	2607
+C1CC1c2c(c(F)ccc2)CN3C(=O)C(=Cc4cnc(nc34)S(=O)C)Br	172
+C1CC1c2c(cc(c(OC(C)C)c2F)C=O)C3CC3	313
+CC1(C)OC(C)(C)C2(OC2c3cc(-c4c(cc(cc4)Cl)Cl)ccc3C5CC5)C1=O	3778
+C1CC1c2c(cc(-c3c(Cl)cc(cc3)Cl)cc2)C=C4C(C(C)(C)OC4(C)C)=O	6456
+C1CC1c2c(CN)cc(COC)cc2	107
+C1CC1c2cc(c(C)cc2C)CC(O)=O	4
+C1CC1c2c(cc(c(F)c2)[N+]([O-])=O)-n3c(nnn3)C(C)C	3779
+FC(F)(F)S(=O)(=O)Oc1c(cc(c(c1)C2CC2)Cc3ccc(cc3)-n4cccn4)C(=O)OC	376
+CC1(C)OB(OC1(C)C)c2cc(c(O)cc2C3CC3)C(OC)=O	17
+C1CC1c2c(cc(COC)cc2)C#N	76
+C1CC1c2cnc(C#N)cc2OCC3CC3	942
+C1CC1c2cc3c(C(NC)=O)n(nc3cc2NS(=O)(=O)C)-c4ccc(C)cn4	80
+c1cc(ccc1-n2nc3cc(c(cc3c2C(=O)NC)C4CC4)N(S(=O)(=O)C)CCCO)O	2608
+C1CC1c2cc3c(cc2N(S(=O)(=O)C)CCCO)nn(-c4ccc(cc4)Nc5ccccc5F)c3C(=O)NC	230
+c1cc(ccc1)COC=2C=CN(c3ccc4n(c(C)c(C5CC5)n4)c3)C(=O)C=2	6457
+C1CC1c2cc(c(Cl)nc2Cl)C(N)=O	745
+C1CN(CCN1C(=O)c2c(cc(cc2)Br)S(=O)(=O)C)c3ncc(cc3C4CC4)C5CC5	30
+c1cc(ccc1Nc2sc3c(cccc3)n2)Oc4ncccc4C5CC5	1605
+CC1(C)CC2(CC2)Oc3c(cc(C#Cc4cc(F)c(cc4)C(=O)OC)cc13)C5CC5	129
+C1CC1c2ccc(c3c(C(OC)=O)cn(Cc4ccc(-c5cnn(c5)C)cc4F)c23)F	962
+C1CC1c2c3ccccc3c(cc2)[N+](=O)[O-]	2026
+C1CC1c2c3c(n(n2)-c4ccc(cc4Cl)N)-c5sc(NC(C)=O)nc5CC3	0
+C1CC1c2c3c(n(n2)-c4c(cc(cc4)NC)Cl)-c5sc(NC(C)=O)nc5CC3	1159
+C1CC1c2ccc(c3ccccc23)N	0
+C1CC1c2cc(Br)c3nc(NC(OCC)=O)nn3c2	977
+C1CC1c2cc(c3nc(N)nn3c2)Br	982
+c1ccccc1-c2ccc(cc2)-c3c4c(cc(Nc5ncc(cc5C(=O)OC)C6CC6)c3)ccn4C	201
+c1cc(ccc1F)-c2c(C3CC3)cc(C=O)c(c2)OCC	39
+C1CC1c2cc(Cl)ccc2CCNC(=O)c3ccc(cc3)Oc4cc5c(cc4Cl)C(C(=O)O)CCO5	3
+CC1(C)C(C)(C)OB(O1)c2ccc(c(c2)C)C(Nc3cc(ccn3)C4CC4)=O	3780
+C1CC1c2cc(c3c(OCCN(c4cccc(Br)c4COC(=O)C)C3=O)c2)F	204
+C1CC1c2cc(Nc3c(F)cc(C#N)c(n3)Cl)n[nH]2	346
+C1CC1c2cc(Nc3nc(Cl)ncc3Cl)[nH]n2	349
+C1CC1c2[nH]nc(Nc3c(cnc(Cl)n3)[N+]([O-])=O)c2	349
+C1CC1c2n[nH]c(c2)Nc3c(F)c(I)c(c(Cl)n3)C#N	346
+C1CC1c2[nH]nc(Nc3c(F)c(F)c(F)cc3[N+](=O)[O-])c2	6458
+C1CC1c2cc(n[nH]2)Nc3c4c(nc(SC)n3)CN(CC4)C(=O)OCc5ccccc5	349
+c1cc(ccc1F)C(Nc2c(C#N)cc(c(n2)Nc3[nH]nc(c3)C4CC4)F)C	70
+C1CC1c2cc(n[nH]2)Nc3cc(NC(c4ccc(cc4)F)C)ncc3[N+](=O)[O-]	70
+C1CC1c2cc([nH]n2)Nc3c(Cl)cnc(NC(c4ccc(F)cn4)C)n3	96
+C1CC1c2cc([nH]n2)Nc3c(Cl)cnc(NC(C)c4ncc(cc4F)F)n3	96
+FC(F)(F)c1ccc(cc1)-c2csc(CCCOc3cc(c(OCC(OC)=O)cc3C4CC4)C)n2	126
+C1CC1c2c(Cl)nc(OCCCC(C)=O)c(c2)C#N	1014
+C1CC1c2ccc(N)c(F)c2	0
+C1CC1c2c(O)c(c(c(c2)[N+](=O)[O-])C)C=C	443
+C1CC1c2cc(N)c(N)cc2	2609
+C1CC1c2c(cc(c(F)c2)[N+](=O)[O-])NC(=O)C(C)C	26
+C1CC1c2c(cc(c(c2)C(NS(=O)(=O)C3CC3)=O)F)OCC4CCN(CC4)S(=O)(=O)C	258
+C1CC(CCN1)COc2c(cc(c(F)c2)C(=O)OC)C3CC3	47
+CC1(C)C(C)(C)OB(O1)c2c(COC(=O)C)c(N3C(c4c(OCC3)cc(C5CC5)cc4F)=O)ccc2	17
+C1CC1c2cc(F)c3c(OCCN(c4cccc(Br)c4CO)C3=O)c2	41
+c1cc(ccc1-c2c3nc(nn3cc(C4CC4)c2)N)Cl	1805
+c1cc(ccc1Nc2cc(nc(C3CC3)c2)-c4cc(Cl)ccc4)CC(OCC)=O	179
+C1CC1c2c(OCCC)c(N)cc(c2)Br	0
+c1cc(ccc1C#Cc2cc(c3OC(C)(C)CC(C)(C)c3c2)C4CC4)C(OCC)=O	129
+n1cc(cnc1-n2c3c(cc2)cc([N+]([O-])=O)cc3C4CC4)C	6459
+c1cc(ccc1C(C)Nc2ncc(c(c2)Nc3cc(n[nH]3)C4CC4)N)F	13
+C1CC1c2cc([nH]n2)-n3c4nc(ncc4nc3)NC(C)c5ncc(cn5)F	2610
+C1CC1c2c(cc3c(c2)c(C(=O)NC)n(n3)-c4ccc(cc4)Br)NS(=O)(=O)C	80
+c1cc(ccc1Cl)-n2c(c3c(n2)cc(NS(=O)(=O)C)c(C4CC4)c3)C(=O)NC	80
+CC1(C)C(C)(C)OB(O1)c2c(c(ccc2)N3C(=O)c4c(C=N3)cc(cc4)C5CC5)C	17
+OB(O)c1c2cc(C3CC3)[nH]c2ncc1	3224
+C1CC1c2cc3c(C(=O)NC)n(nc3cc2N)-c4ccc(cc4)Cl	0
+C1CC1c2cc3c(C(=O)NC)n(-c4ccc(cc4)Br)nc3cc2N	0
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(Br)ccc2C3CC3	3781
+CC1(C)C(C)(C)OB(O1)c2c(C)c(cc(F)c2)NC(c3c(cc(C4CC4)cc3)F)=O	3782
+C1CC1c2c(cc(cc2)CO)C#N	41
+C1CC1c2ccc(c(c2)N)F	0
+C1CC1c2ccc(Nc3n4cncc4ccc3C(OC)=O)c(F)c2	3783
+C1CC1c2c(C#N)cc(cc2)Nc3ncc(c(n3)O)Cl	55
+C1CC1c2ccc(Nc3c(ccc4cncn34)C(NOCCO)=O)c(F)c2	1000
+C1CC1c2ccc(c(F)c2)Nc3c(C(O)=O)ccc4cncn34	1
+C1CC1c2c(I)cc(C(=O)OC)c(C)c2	184
+C1CC1c2cc(c(cc2)F)NC(c3cc4c(nc(Nc5c(cccc5Cl)Cl)[nH]4)c6c3OC(C)(C)C6)=O	67
+C1CC1c2c3c(c(F)cc2)c(cn3Cc4c(cc(-c5cnn(c5)C)cc4)F)C(=O)O	1
+C1CC1c2c3c(cccc3)c(N=C=S)cc2	333
+C1CC1c2ccc(cc2)CO	41
+c1cc(ccc1COc2c(OC)cc(I)cc2)C3CC3	657
+CC(C)(C)C(NC(c1ccc(c(OCC2CC2)n1)C3CC3)=O)CC(N)=O	81
+CC(C)(C)OC(=O)N1CCCC(C1)Nc2c(c(OC)nc(N3CCOCC3)n2)-c4sc5c(n4)cc(cc5)C6CC6	3784
+C1CC1c2cc3c(C(N(N=C3)c4c(C)c(ccc4)Br)=O)cc2	6460
+C1CC1c2cccc(-c3nc4c(nc(N5CC(C(O)=O)CCC5)cc4)[nH]3)n2	3
+C1CC1c2cccc(n2)C(N3CCN(C(OCc4ccccc4)=O)C(C)(C)C3)=O	147
+c1cc(ccc1-c2c(C3=NOC(=O)N3)cccc2)CC=4C(=O)N(c5cc(ccc5)C6CC6)C(=NC=4CCCC)C	618
+C1CC(CCC1)Nc2cc(Nc3nc(ccc3)C4CC4)c(C(=O)N)nn2	232
+Fc1cc(cc(F)c1NS(=O)(=O)C)C(NC(=O)c2coc(n2)Oc3cc(C4CC4)ccc3)C	6461
+C1CC1c2c(c(F)ccc2)CN3c4c(C=C(C3=O)Br)cnc(SC)n4	6462
+C1CC1c2nccc(N3CCN(c4cnccc4C5CC5)C3=O)c2	6463
+CC(C)(C)OC(=O)NCC(C)(C)COc1c2c(ccc(n2)-c3nnc4ccc(cn34)C5CC5)ccc1	3785
+C1CC1c2cnc(C(=O)O)cc2OCC3CC3	876
+C1CC1c2c(cc(nc2)C(NO)=N)OCC3CC3	958
+CC(C)(C)c1nc(on1)-c2ncc(C3CC3)c(c2)Cl	6464
+FC(F)(F)C(C)Oc1cc(C(O)=O)ncc1C2CC2	260
+FC(F)(F)COc1cc(C(O)=O)ncc1C2CC2	260
+C1CC1c2cnc(-c3nc(C4CCCC4)no3)cc2OCC5CC5	3786
+CC(C)(C)C(O)CNC(=O)c1ncc(c(c1)OCC2CC2)C3CC3	81
+CC(C)(C)OC(=O)N1C(CC(Oc2ncc(C3CC3)nc2)C1)CN=[N+]=[N-]	1335
+C1CC1c2cnn(c2-c3csc(C(=O)O)c3)C	1
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(=O)c4scc(c4)-c5n(C)ncc5C6CC6	227
+C1CC1c2nc(-c3nc4c(C)c(OC)ccc4c(c3)Cl)sc2	120
+C1CC1c2csc(C(=O)Nc3c(C(C)=O)ccc(OC)c3C)n2	6465
+C1CC1c2csc(-c3nc4c(c(c3)O)ccc(c4C)OC)n2	6466
+c1cc(ccc1F)-n2c(nc(C#Cc3cc(C)ncc3)c2)C4CC4	6467
+C1CC1c2n(nc(-c3nc(Nc4ccncc4)c(OC)cn3)c2C)Cc5ccc(cc5)OC	3787
+c1cc(ccc1)COC2=CC(N(C=C2)c3ccc4c(c3)n(c(C5CC5)n4)C)=O	2027
+c1cnccc1Nc2nc(ncc2OC)-c3c(C)c(C4CC4)n[nH]3	1613
+C1CC1c2n(Cc3ccc(cc3)OC)nc(c2C)-c4ncc(c(N)n4)OC	6468
+c1cc(ccc1F)C(C)Nc2nc(Nc3cc(n[nH]3)C4CC4)c(c(c2C#N)I)F	70
+O=S(=O)(Nc1c(F)c(cc(Cl)c1)-c2nc(C3CC3)oc2-c4ccnc(SC)n4)C	80
+C1CC1c2nc(-c3cc(NC(=O)NCC)ncc3-c4cc5C(C(=CN(c5cc4)C(CO)CC(C)C)C(=O)O)=O)sc2	108
+OB(O)c1cnc(NC(NCC)=O)cc1-c2nc(C3CC3)cs2	2028
+C1CC1c2nc(Cl)c(Cl)c(n2)C(O)=O	64
+C1CC1c2cccc(C(O)=O)n2	6
+C1CCCN1C(C2CCCN(c3ccc4c([nH]c(-c5nc(ccc5)C6CC6)n4)n3)C2)=O	6469
+CC(C)n1c2c(c(C(c3cc(NC(Cc4coc(C5CC5)n4)=O)ncc3)=O)n1)cncc2	142
+C1CC1c2nc(C(=O)OC)c(c(OC)n2)Cl	145
+c1cc(ccc1)CNc2nc(C3CC3)nc(c2Cl)C(OC)=O	40
+C1CC1c2nc(Cl)c(Cl)c(n2)C(=O)OC	1343
+C1CC1c2c(cc(c(N3CCN(C(CCO)=O)C(C4CC4)C3)n2)C#N)N(C)c5ccnc(C=C)c5	6470
+C1CC1c2cccc(Nc3c(C(=O)N)nnc(Cl)c3)n2	314
+O=S(=O)(CC)NCCOc1nc(C2CC2)nc(NS(=O)(=O)c3ncc(cc3)C(C)C)c1Oc4c(cccc4)OC	111
+O=S(=O)(Nc1c(c(-c2c(sc(n2)C3CC3)-c4nc(ncc4)SC)cc(Cl)c1)F)C	80
+C1CC1c2cc(cc(-c3cc(Cl)ccc3)n2)Cl	140
+CC(C)(C)OC(NCCn1c2nc(cc(c2cn1)C(OCC)=O)C3CC3)=O	6471
+C1CC1c2nc3ccc(cc3n2C)N4C(C=C(C=C4)Cl)=O	6472
+FC(F)(F)c1cc(COC=2C=CN(C(=O)C=2)c3ccc4c(c3)n(c(C5CC5)n4)C)cs1	6473
+CC(C)(C)OC(=O)c1c(cc(Oc2cnc(c(Cl)c2)C3CC3)c(c1)Cl)Cl	551
+C1CC1c2ncc(cc2Cl)Oc3cc(c(C(=O)NS(=O)(=O)C)cc3Cl)Cl	258
+C1CC1c2sc(nn2)N3C(CCN(C3=O)C)OC(Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)=O	204
+C1CC1c2sc(nn2)NC(=O)N(CCC=O)C	1110
+c1cc(ccc1C(=O)N)-c2c3c(nccn3c(C4c5nnc(C6CC6)n5CCC4)n2)NCc7c(OC)cc(cc7)OC	169
+CC(C)(C)[Si](C)(C)OCCOc1c(-n2nnnc2C3CC3)cc(cc1)[N+](=O)[O-]	57
+C1CC1c2noc(C=Cc3ccc(c(O)c3)OC)n2	5
+C1CC1c2noc(C=Cc3ccc(c(c3)O)O)n2	5
+C1CC1c2nc(-c3c(NC(C4=C(C(O)=O)CCCC4)=O)sc5c3CCCC5)sn2	3788
+C1CC1c2nnc(o2)-c3c(ncc(c3)-c4ccc5[nH]ccc5c4)N	89
+C1CC1c2nc(CC(=O)O)co2	3
+C1CC1c2nnc(N=C=O)s2	775
+C1CC1c2nnc(N3C(=O)N(C)CCC3O)s2	1903
+Fc1cc(cc(F)c1CN2c3sc(cc3C(=O)N(Cc4ccc(OC)cc4OC)C2=O)C5CC5)-c6c(cccc6)C#N	3593
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+CC(C)(C)OC(=O)NC1C(CCCC1)O	37
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+C(OCC)(=O)NC1CCCCC1O	101
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+C(O)CCCCOc1c(Br)cc(cn1)C(=O)NC2CCCCC2O	56
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+C1CCCC1(C(O)=O)c2scc(c2Cl)C	1588
+C1CCCC1(c2cc(Cl)c(cc2)Cl)C(=O)C	3610
+c1cc(ccc1CC(NC(=S)C2(CCCC2)CCCCS(=O)(=O)C)C(=O)OC)[N+]([O-])=O	199
+C1CCCC1(CO)C#N	95
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+C1CCCC1(CO)c2c3ccccc3ccc2	237
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+N1=NCC2(C1)CCCC2	6488
+c1cc(ccc1Oc2ccccc2)NC(=O)CNCC3(CCCC3)CN	1229
+C1CCC(C1)(COC)c2cc(ccc2-c3c(cnc(c3)OC)F)C(=O)OC	76
+C1CCC(C1)(c2c(-c3cc(ncc3F)OC)ccc(CO)c2)COC	98
+C1CCC(C1)(N2CCCC2)C(c3ccccc3)N	6489
+C1CCC(C1)(Nc2c(F)cc(c(Cl)n2)C#N)C(=O)N	6490
+C1CCC(C1)(N)CC(OC)=O	167
+C1CCCC1(CC(=O)OC)NCc2ccc(cc2)F	42
+C1CCC(C1)(Nc2nc(Nc3cnc4c(cccc4)c3)c(C#N)cc2F)C(N)=O	1970
+C1CCC(C1)(Nc2c(F)cc(c(Nc3cc4ccccc4nc3)n2)C(N)=O)C(N)=O	745
+C1CCCC1c2ccc(cc2)C3(CC3)C(O)=O	564
+c1cc(ccc1S(C2(CCCC2)CC(=O)NO)=O)Oc3ccccc3	2033
+CC(C)(C)ONC(=O)CC1(CCCC1)Sc2ccc(cc2)Oc3ccccc3	6491
+C1CCC(C1)(C=O)c2cccc3c2cccc3	2013
+C1CCC(C1)(c2ccc(cc2)Nc3c4c(nc(C5CCCC5)n3)CCC4)C(OC)=O	73
+c1cc(ccc1C2(CCCC2)C(=O)O)Nc3c4c(nc(C5CCCC5)n3)CCC4	4
+C1CCCN1C2(CCCC2)C#N	735
+C1CCC(C1)NC(CC)C(=O)OC	3794
+C1CCC(C1)NCCC(=O)OCC	87
+C1CCCC1NCCNc2nc(C)nc3cc4n(c23)cccc4-c5c(C)cc(cc5C)C	87
+FC(F)(C(=O)OCC)CNC1CCCC1	87
+FC(F)(F)c1ccc(C(=O)NC2CCCCC2NC3CCCC3)c(C4CC4)c1	87
+FC(F)(F)c1cccc(C(O)C(c2cc(ncc2)F)NC3CCCC3)c1	87
+N1(C)CCc2ccc(c3c2n(c4CCCc34)CC1)F	6492
+C1CCC(C1)N2CCc3c(CC2)cc(cc3)Oc4ncc(C(NC)=O)cc4	85
+C1CCC(C1)Nc2c(cc3c(ccnc3O)c2)C	231
+C1CCCC1(c2ccc(cc2)Cc3ccccc3OCc4ccccc4)O	251
+C1CN(CCN1C2CCCC2)c3ccc(cc3)I	85
+c1cc(ccc1C2=CCCC2)F	6493
+C1CCCC1Oc2ccc(c(c2)OCCN3CCCCC3)Br	521
+C1CCC(C1)N2CCC3(CC2)COC(c4ccc(cc4)OCCCN5CCCC5C)=N3	6494
+C1CCC(C1)Oc2cc(cnc2OC)C(=O)OC	2034
+C1CCC(C1)Oc2c(Cl)cc(cc2Cl)C(OC)=O	521
+C1CCCC1Oc2c(ccc(C(=O)OC)c2)SC	521
+C1CCC(C1)C(c2cccc(F)c2)C(OC)=O	6495
+C1CCC(C1)Oc2c(OC)ccc(C=O)c2	521
+C1CCCC1n2c3nc(Cl)nc(NCc4cc(OC)c(cc4)OC)c3nc2	2615
+C1CCC(C1)n2c3c(c(Nc4ccc5CCCc5c4)nc(Cl)n3)nc2	2615
+c1cc(ccc1-c2c3c(n(C4CCCC4)n2)c(F)ccc3)OC	6496
+C1CCC(C1)C(c2ccc(cc2)OCc3ccc4ccccc4n3)C#N	3795
+C1CCC(C1)Oc2c3c(c4c(cccc4)o3)ccc2	6497
+c1cc(ccc1Sc2ccccc2)OC3CCCC3	521
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(ncc2Cl)[nH]cc3NC(C4CCCC4)=O)C1	1610
+CC(C)(C)OC(C1(CC1)Cc2cc(NC(C(c3ccc(cc3)CN4C(=O)c5c(cccc5)C4)C6CCCC6)=O)ccc2)=O	33
+C1CCC(C1)C(c2ccc(c(c2)CC(C)C)O)C(OC)=O	2616
+C1CCC(C1)c2n3NC(=NC(=O)c3c(n2)CC)c4cccc([N+](=O)[O-])c4	3796
+C1CCCC1(C(=O)OCC)Cc2ccccc2	1161
+C1CCC(C1)C(c2ccc(cc2)OCc3ccc4ccccc4n3)C(=O)N	3797
+C1CCCC1C(c2cc(F)ccc2)(C(OC)=O)C	2035
+C1C2(CN1c3ccc(cc3)-c4[nH]nc5ccc(C(=O)NC(C6CCCC6)c7ccccn7)cc45)COC2	1016
+C1CCCC1C2(CCN(CC2)c3ccc(cc3)C(=O)OCC)OC	34
+C1CCC(C1)C2CCc3cc(O)c(c(Cl)c3C2=O)Cl	5
+C1CCC(C1)C2C(=O)c3c(CC2)cc(c(Cl)c3Cl)OCc4[nH]nnn4	420
+C1CCC(C1)C2C(c3c(CC2)cc(OCC#N)c(Cl)c3Cl)=O	3798
+C1CCC(C1)C2N(c3nc(c(C#N)cc3)C)N=C(c4cc(c(CC(O)=O)cc4)OC)C2	6498
+C1CCC(C1)CC(C(OC)=O)c2cc(F)c(-n3c(nnn3)C)cc2	6499
+CC(C)Oc1cnc2[nH]c(cc2c1)C(CC3CCCC3)c4ccc(cc4)S(=O)(=O)C	6500
+C1CCCC1C2N(N=C3c4ccc(cc4CCC23)C(=O)OC)c5cc(Cl)c(C#N)cc5	6501
+C1CCC(C1)C=C2C(c3c(CC2)cc(cc3)C(=O)OC)=O	3799
+C1CCC(C1)Cc2n(c3ccc(S(=O)(=O)C(C)C)cc3n2)CC4CC4	849
+FC(F)(F)c1ccc(cc1)CNc2nc(c(c(N)n2)NC(CC3CCCC3)=O)C	1616
+C1CCC(C1)CC(c2c(-c3ccc4cc(ccc4c3)OC)oc5ccccc25)=O	2617
+c1c(C)c(c(cc1[N+](=O)[O-])C)NC(=O)CC2CCCC2	26
+c1ccccc1Nc2nn(-c3cc(ncc3)NC(=O)CC4CCCC4)cn2	195
+FC(F)(F)c1ccc(cc1)CNc2cc(C)c(c(C)c2)NC(CC3CCCC3)=O	208
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cnc3n(ccc23)S(=O)(=O)c4ccccc4)NC(CC5CCCC5)=O)=O	469
+C1CCCC1CC(C(=O)Nc2nn(cc2)CC(C)(C)O)N3C(C=C(C=N3)Oc4c(C)ccc(C)c4C)=O	142
+C1CCCC1CC(c2cc(C#N)c(cc2)S(=O)(=O)C)C(O)=O	4
+C1CCC(C1)CC(C(=O)OC)c2cc(c(S(=O)(=O)C)cc2)C#N	180
+C1CCCC1CC(C(=O)O)c2cc(F)c(-n3c(nnn3)C)cc2	4
+C1CCCC1CC(C(O)=O)c2cc(c(SC)cc2)Cl	4
+C1CCCC1CC(C(=O)O)c2ccc(cc2)-c3cnccc3	4
+C1CCCC1CC(C(=O)NNc2nc(nc(N3CCN(CC3)C)c2F)CC)CN(O)C=O	2618
+C1CCC(C1)CCc2c(oc3c2cccc3)-c4cc5ccc(OC)cc5cc4	6502
+C1CCC(C1)CC(c2c(-c3ccc4c(ccc(OC)c4)c3)oc5ccccc25)O	6503
+C1CCCC1CC(c2cc(Cl)c(Cl)cc2)C(=O)N	6504
+C1CCCC1CC(c2ccc(cc2)C#Cc3ncccc3)C(=O)O	4
+C1CCCCC1(C#Cc2ccc(cc2)C(C(OC)=O)CC3CCCC3)O	121
+c1cc(ccc1C(C(OC)=O)CC2CCCC2)C#CCN(C)C	121
+c1cc(ccc1C(CC2CCCC2)C(OC)=O)-c3ccc4c(c3)cc[nH]4	134
+C1CCC(C1)CC(C(OC)=O)c2ccc(cc2)-c3cnccc3	1617
+c1cnccc1-c2ccc(cc2)C(CC3CCCC3)C(OC)=O	2036
+c1cc(ccc1C(C(=O)O)CC2CCCC2)OCc3ccccc3	4
+C1CCCC1CC(C(=O)O)c2ccc(cc2)[N+]([O-])=O	3
+c1cc(ccc1CNc2ccc(CC)c(NC(CCC3CCCC3)=O)c2CC)F	208
+C1CCC(C1)CCC(Nc2c(CC)c(ccc2CC)N)=O	0
+FC(F)(F)c1ccc(cc1)NC2CCc3cc(c([N+](=O)[O-])cc23)NC(=O)CCC4CCCC4	3800
+CC(C)(C)[Si](C)(C)OCCNC1CCN(C1)c2nc3ccc(c(NC(=O)CCC4CCCC4)c3cc2)Cl	110
+C1CCC(C1)CCCCCCCCOc2ccc(cc2)-c3ncc(CCCCCCC)cc3	8
+C1CCC(C1)CCCN2C3CCc4c(cccc4C3CC2)O	5
+C1CCC(C1)CN2C(C(C(NCc3ccccc3)=O)=CC(c4ccc(cc4)OC)=N2)=O	6505
+C1CN(CCC1Oc2c3cnn(c3ncn2)-c4ccc(cc4)S(=O)(=O)C)C(=O)OCC5CCCC5	1468
+c1cc(ccc1Oc2ncc(C#CC(C)NC(C)=O)s2)OCC3CCCC3	20
+C1CCC(C1)CN2N=C(C=C(C(OCC)=O)C2=O)c3ccc(cc3)OC	6506
+c1cc(ccc1)Oc2nccc3c2cc(c(N(C4CCCC4)C(=O)C)c3)C	136
+C1CN(CCC1)c2cnc(Nc3ncc4C=C(C(N(c4n3)C5CCCC5)=O)COCC)cc2	3608
+C1CCC(C1)N2C3=NC(c4cc(OCC(=O)O)ccc4)=NC(=O)C3=C(N2)CC	3
+CC(C)(C)C(C(=O)N1C2C(c3c4ccc(cc4[nH]c3)F)CN(C2CC1)C5CCCC5)NC(OC(C)(C)C)=O	10
+C1CCC(C1)N2C=3C(C(N=C(N=3)c4c(cccc4)OCC(=O)O)=O)=C(CC)N2	3
+C1CCC(C1)N2CC3(CCC3)C(N(C)c4cnc(nc24)Nc5c(cc(C(=O)O)cc5)F)=O	55
+C1CCC(C1)N2CC3(CCC3)C(N(C)c4cnc(nc24)Nc5ccc(C(NN6CCN(CC6)C)=O)cc5F)=O	898
+C1CCCC1N2N(C)C(=C(C2=O)Cl)C	6507
+FC(F)(F)S(=O)(=O)Oc1nn(c2ccnc(OC)c12)C3CCCC3	3801
+C1CCC(C1)N2C(=O)C(COCC)=Cc3c2nc(nc3)S(=O)C	3802
+C1CCC(C1)N2c3nc(ncc3N(C(=O)C(F)(C)C2)C)Nc4ccc(C(=O)NC5CCN(CC5)C)cc4OC	14
+C1CCCC1NC(Nc2ccc(cc2)-c3nn(CC)cc3-c4c5cc[nH]c5ncc4)=O	406
+C1CCC(C1)N(C)c2nc(ccn2)N3CCC(CC3)c4ccc(cc4)C(C)C(NCC)=O	117
+c1cc(ccc1S(=O)(=O)n2c3ncc(c(CNC(C(NC4CCCC4)=O)CC#N)c3c(C(=O)O)c2)Cl)C	3803
+C1CCCC1N(c2nc(ncc2[N+]([O-])=O)Cl)C(C(OC)=O)CC	2619
+C1CCC(C1)Nc2n3nc(-c4ccncc4)c(-c5nc(ncc5)NC6CCCC6)c3ccc2	2620
+C1CCCC1Nc2nccc(-c3c(-c4cc(Cl)ccc4)nn5cnccc35)n2	3804
+FC(F)(F)c1cn2nc(c(-c3ccnc(NC4CCCC4)n3)c2cc1)-c5ccc(cc5)F	2620
+C1CCC(C1)Nc2nccc(-c3c4ccnc(SC)n4nc3-c5ccc(cc5)F)n2	3805
+C1CCC(C1)Nc2nc(-c3c(-c4cc(ccc4)C)nn5c(cccc35)Cl)ccn2	6508
+C1CCCC1Nc2nc(-c3c4cccc(n4nc3-c5occc5)Cl)ccn2	3804
+C1CCCC1NCC(C(=O)OCC)CCC	1917
+c1cc(ccc1CNC2CCCC2)N3C=C(C(c4cc(c(N5CCN(CC5)c6ccccn6)c(Cl)c34)F)=O)C(O)=O	108
+C1CCCC1n2nccc2-c3ccc(Br)cc3[N+]([O-])=O	2008
+C1CCC(C1)NNC(c2c(ccnc2OC)I)=O	1325
+C1CCC(C1)N2NC(c3c(nccc23)OC)=O	3714
+C1CCC(C1)NS(=O)(=O)c2c3ccc(nc3cc(-c4c(noc4C)C)c2)Cl	6509
+C1CCC(C1)N(c2cc3ccnc(c3cc2C)Cl)C(=O)C	192
+C1CCC(C1)Nc2c(cc3c(ccnc3Cl)c2)C	137
+C1CCC(C1)Nc2cc(cc3c(-c4ccnc(S(=O)C)n4)c(nn23)-c5ccc(cc5)OC)Cl	172
+C1CCC(C1)Nc2cc(ccn2)-c3c4cccc(n4nc3-c5csc(C)n5)Cl	2621
+C1CCCC1Nc2cc(ccn2)-c3c4cccc(NC5CCCC5)n4nc3-c6csc(C)n6	1162
+C1CCC(C1)Nc2cccc3n2nc(-c4ccc(cc4)F)c3-c5cc(F)ncc5	6510
+C1CCC(C1)Nc2n3c(c(c(-c4ccncc4)n3)C(=O)C=CN(C)C)ccc2	277
+C1CCC(C1)Nc2cccc3c(c(-c4ccc(cc4)F)nn23)-c5cc(ncc5)NC6CCCC6	182
+C1CCC(C1)Nc2cccc3c(-c4ccnc(NN)c4)c(nn23)-c5ccc(cc5)F	1606
+C1CCC(C1)Nc2cccc3n2nc(c3-c4ccnc(NC5CCCC5)n4)-c6cccc(C)c6	1162
+Clc1cccc(Cl)c1C(NC(C(=O)OC)Cc2ccc(cc2)OCCc3nc(ccc3)NC4CCCC4)=O	20
+C1CCC(C1)Nc2nc(CCO)ccc2	168
+C1CCC(C1)Nc2nccc3n2nc(-c4cc(Cl)ccc4)c3-c5nc(NC6CCCC6)ncc5	3806
+C1CCC(C1)N2c3c(cnc(SC)n3)C=C(COCC)C2=O	6511
+C1CCCC1Nc2nccc(n2)-c3c4cccc(Cl)n4nc3Cc5ccccc5	2621
+CC(C)(C)Nc1nccc2c(-c3ccnc(NC4CCCC4)n3)c(nn12)-c5ccc(cc5)F	3806
+CC(C)(C)OC(=O)N(CCN1c2c(cc(c(OC3CCCC3)c2)C)N=C4C(N=C(N=C14)O)=O)Cc5ccccc5	556
+CC(C)(C)OC(N1CCC(CC1C(OC2CCCC2)=O)=O)=O	27
+CC(C)(C)[Si](C)(C)OCCC(NC(=O)OC(C)(C)C)C(=O)OC1CCCC1	6512
+C1CCC(C1)OCC(=O)OCC	337
+C1CCC(C1)OC(=O)OC(Cl)C	405
+C1CCC(C1)Oc2c(C(N3CCN(CC3)c4ccc(S(=O)(=O)C)cc4F)=O)c(F)c(cc2)S(=O)(=O)C	57
+C1CCC(C1)Oc2c(C(O)=O)cc(cc2)S(=O)(=O)C	556
+C1CCC(C1)Oc2c(Br)cc(C(=O)OC)cn2	91
+C1CCCC1Oc2c(OC)cc(CC(OC)=O)cc2	419
+c1cc(ccc1C(N2CC(=NOC)CC2C(=O)OC3CCCC3)=O)-c4ccccc4C	27
+C1CCC(C1)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	1117
+C1CCC(C1)OC(=O)OC(I)C	6513
+FC(F)(F)COc1ccnc(c1C)CSc2n(c3ccccc3n2)C(C)OC(=O)OC4CCCC4	6514
+C1CCCC1OCC(O)=O	3
+c1cc(ccc1OCC(CNCCNC(=O)Nc2c(cccc2)O)O)OCCOC3CCCC3	122
+FC(F)(F)c1ccc(c(c1)-c2cc(C(=O)OC)cnc2OC3CCCC3)Cl	89
+FC(F)(F)c1nc(sc1)N2CCN(CC2)C(c3c(ccc(S(=O)(=O)C)c3)OC4CCCC4)=O	30
+c1cc(ccc1C(=O)OC)NC(=O)c2cc(Cl)c(c(c2)Cl)OC3CCCC3	67
+C1CCC(C1)Oc2c(Cl)cc(cc2Cl)C(=O)O	1
+C1CCCC1Oc2cc3c(C(N(C=C3C=O)C(=O)OCC)Cc4cccc(OC)c4)cc2OC	3752
+C1CCC(C1)Oc2cc3c(C=O)cnc(C(=O)c4cccc(OC)c4)c3cc2OC	3807
+C1CCC(C1)Oc2cc(ccc2OC)C=NO	135
+C1CCCC1Oc2c(cc(c(c2)N3C(=O)C4=C(CCCC4)C3=O)F)Cl	2380
+c1cc(ccc1Br)C2(c3ccc(c(OC4CCCC4)c3)OC)C=CC(CC2)=O	3808
+C1CCC(C1)Oc2c(cccc2OC)C=Cc3nc4ccccc4n3-c5ccc(C#N)nn5	331
+C1CCC(C1)Oc2c(cccc2OC)C=Cc3nc4ccccc4n3-c5nnc(cc5)C(=O)O	6
+C1CCC(C1)Oc2c(cccc2OC)C=Cc3n(c4ccccc4n3)-c5ccc(nn5)C(=O)N	247
+C1CCC(C1)Oc2c3c(c(C=O)cc2)c4ccccc4o3	3809
+C1CCC(C1)Oc2cc(ccc2OC)Cc3nc4cccc(c4o3)[N+](=O)[O-]	2037
+C1CCC(C1)Oc2c(cc(F)c(N)c2)Cl	2622
+C1CCC(C1)Oc2cc(ccc2OC)C3=NOC(CC(O)=O)(C(=O)O)C3	4
+C1CCC(C1)Oc2cc(CC(=O)Nc3c(O)c([N+](=O)[O-])ccc3)ccc2OC	33
+C1CCCC1Oc2cc(cnc2OC)C(=O)O	1
+C1CCCC1Oc2c(OC)cc3c(c(cnc3C(c4cc(OC)ccc4)=O)C(O)=O)c2	2038
+C1CCC(C1)Oc2ccc(cn2)C(=O)OCCC(C)=C(F)F	1986
+CC(C)(C)OC(=O)c1c(SC2CCCC2)n(nc1)-c3ccc(cc3)C(=O)OC	6515
+c1ccccc1COc2c(cc(SC3CCCC3)c4cccnc24)Cl	2039
+C1CCC(C1)S(=O)(=O)NC(C(=O)CC(=O)N(Cc2ccc(cc2)F)OC)=O	2623
+C1CCCC1c2c(c(C(=O)N)[nH]n2)NC(CNC(=O)C)=O	3810
+C1CCC(C1)c2cc(ccc2-c3nc(N)ccc3)O	899
+C1CCCC1c2c(c(Cl)ccc2)C(Cl)=O	82
+c1cc(ccc1OCc2c(C3CCCC3)onc2C4CCCC4)-c5ccc6c(ccc(C(OC)=O)n6)c5	20
+C1CCC(C1)c2ccccc2N=C=S	333
+c1ccccc1COc2c(CC=C)cccc2C3CCCC3	139
+c1ccccc1COc2ccc(cc2C3CCCC3)Br	22
+C1CCC(C1)c2cc(CCC(=O)OCC)c([N+]([O-])=O)cc2OC(OC)=O	77
+C1CCC(C1)c2c(O)ccc(c2)-c3c4c(cccc4)c(c5sc(c(c35)C)C)Br	173
+C1CCC(C1)c2c(OC(=O)OC)cc(c(CCC(=O)OCC)c2)N	0
+C1CCCC1c2cc(Cl)c(cc2OC(OC)=O)[N+]([O-])=O	31
+C1CCC(C1)c2ccc(C=O)c(OC)c2	65
+C1CCC(C1)c2c(-c3cccc(n3)-n4c(ccc4C)C)ccc(c2)O	16
+C1CCC(C1)c2c(ccc(OCCN3CCCC3)c2)-c4cccc(N)n4	72
+CN(C)CCOc1ccc(c(C2CCCC2)c1)-c3cccc(N)n3	72
+C1CCC(C1)c2cc(-c3c4c(sc(C)c4C)cc5ccccc35)ccc2OC(C)=O	225
+CC(C)(C)[Si](C)(C)Oc1ccc(C(OC)=O)cc1C2CCCC2	154
+C1CCC(C1)c2cc(C(=O)c3c(sc(C)c3C)Cc4ccc(cc4)Br)ccc2OS(=O)(=O)c5cc(O)c(C(O)=O)cc5	1163
+c1cc(ccc1Cc2sc(C)c(C)c2C(=O)c3ccc(OC)c(c3)C4CCCC4)Br	6516
+FC(F)(F)c1cc(ccc1)C(Nc2ccc(cc2)Nc3nc(C)cc(n3)Nc4cc([nH]n4)C5CCCC5)=O	55
+FC(F)(F)c1cc(ccc1)NC(=O)c2ccc(cc2)Nc3nc(cc(Nc4cc(C5CCCC5)[nH]n4)n3)C	55
+C1CCC(C1)c2cc(Nc3cc(nc(Nc4ccc(cc4)N)n3)C)n[nH]2	55
+C1CCCC1c2ccc(cc2)-c3cc(ncc3)Cl	1164
+c1cc(ccc1C(=CCO)C)C2CCCC2	2624
+c1cc(ccc1C(O)(C)CC(=O)OCC)C2CCCC2	2040
+C1CCC(C1)c2c(N)cccc2	0
+C1CCCN1S(=O)(=O)c2ccccc2Cc3c(n(c(C4CCCC4)c3C#N)CC(O)=O)C	3
+CC(C)(C)C(Nc1cc(ccc1)C=2NC(=O)c3n(c(C4CCCC4)nc3CC)N=2)=O	26
+C1CCC(C1)c2n3N=C(NC(=O)c3c(CC)n2)c4cc(N)ccc4	6517
+C1CCCC1c2n3N=C(NC(=O)c3c(C)n2)c4cc(ccc4OCCC)[N+]([O-])=O	6518
+C1CCCC1c2nc(Cl)c3c(CCC3)n2	64
+CC(C)(C)OC(=O)CCCOc1c(Cl)cc(cc1C)-c2noc(n2)-c3cc(nc(C4CCCC4)c3)OC	529
+C1CCC(C1)c2nc(cc(-c3nc(-c4cc(C)c(c(CC)c4)O)no3)c2)OC	3811
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(c(OCCOS(=O)(=O)C)c(c4)C)CC)c2)OC	7
+c1cc(ccc1OC)CC(Nc2c(noc2C(N)=O)C3CCCC3)=O	6519
+O=S(=O)(NCC)c1cc(C(Nc2sc(C3CCCC3)nn2)=O)c(F)cc1F	900
+CC(C)(C)OC(N1CCN(CC1)c2ccc(Nc3ncc4c(C)c(C(OC)=O)n(c4n3)C5CCCC5)nc2)=O	1618
+CC(C)(C)COC(=O)Nc1c(OC)cc(cc1)-c2c3c(n(C4CCCC4)c2)ncnc3N	90
+c1ccccc1CNC(=O)Nc2ccc(cc2OC)-c3c4c(n(C5CCCC5)c3)ncnc4N	406
+CC(C)(C)NC(Oc1ccc(cc1)-c2c3c(n(C4CCCC4)n2)c(F)ccc3)=O	1890
+c1cc(ccc1-c2c3c(n(C4CCCC4)n2)c(F)ccc3)OC(CC)=O	385
+c1cc(ccc1)OC(=O)Nc2cccc(C(=O)c3c4c(ncnc4N)n(C5CCCC5)c3)c2	90
+CC(C)(C)OC(N1CCN(CC1)c2nnc(Nc3nc4c(cn3)cc(C(N(C)C)=O)n4C5CCCC5)cc2)=O	1618
+c1cc(ccc1NC(=O)c2ccc3c(n(nc3CC)C4CCCC4)c2)C(=O)OC	67
+C1CCC(C1)n2c3c(c4cnc(nc24)Nc5nnc(Cl)cc5)ccnc3	6520
+CC(C)(C)[Si](C)(C)OCC1CCN(CC1)c2cnc(cc2)Nc3nc4n(C5CCCC5)c6c(nccc6c4cn3)F	3812
+CC(C)(C)[Si](C)(C)OCCN1CCN(CC1)c2cnc(cc2)Nc3nc4n(C5CCCC5)c6c(nccc6c4cn3)F	3812
+C1CCC(C1)n2c3c(c(-c4cc(OC)c(cc4)N)c2)c(N)ncn3	869
+C1CCC(C1)n2c3c(c(C(=O)c4cccc(N)c4)c2)c(ncn3)N	0
+C1CCC(C1)n2c3ncnc(N)c3c(c2)C(c4cccc([N+]([O-])=O)c4)=O	869
+C1CN(CCN1C)CCCOc2c(cccc2)Nc3nc(nc4n(cnc34)C5CCCC5)Cl	53
+FC(F)(F)c1ccc(cc1)-c2noc(C(NC3CC(O)CCC3)=O)c2	1619
+c1(ccc(OCOC)cc1OCOC)C2CC(=NO)CCC2	350
+C1(=C)CCCC(c2c(cc(OCOC)cc2)OCOC)C1	6521
+C1CC(CCCCC1)NO	3813
+C1CCCCC(CCCCCC1)C=O	24
+C1CCCCCCCCCCCCCC1C=O	24
+C1CCC(N(C1)c2ccccc2CC=O)=O	24
+C1CCC(Nc2c3cccn3ncc2C(N)=N)C(C1)C	3814
+c1cc(ccc1Oc2c(C3CC(CCC3)O)cccn2)Nc4ccccn4	1605
+C1CCC1(C#N)c2cccc(c2)OCc3ccc(cc3)-n4ccnc4C	139
+C1C(CC1)(C)C(=O)n2ccnc2	3612
+c1ccccc1COc2ccc(cc2)CCNC(=O)C3(CCC3)c4ccc(cc4OC)Cl	9
+c1cc(ccc1Br)C2(CCC2)CO	647
+c1cc(ccc1-c2cc3c(cc2Cl)[nH]cc3C=O)C4(CCC4)C(O)=O	2625
+C1CCC1(Oc2cccc(I)c2)C(=O)OCC	517
+C1CCC1(Sc2c3c(ccc(Br)c3)ncc2)C(OCC)=O	3815
+CC1(C)C(C)(C)OB(O1)c2cnc(OCC3(CCC3)C(OCC)=O)cc2C	234
+c1cc(ccc1C)S(=O)(=O)n2cc(c3cc(cnc23)F)-c4ncc(c(NC(CC(=O)OC)C5(CCC5)C)n4)F	1344
+C1CCC1(c2ccc(Cl)c(Cl)c2)CC(=O)CC	6522
+FC(F)(F)c1cc(ccc1C#N)N2C(=S)N(C3(CCC3)C2=O)c4ccc(cc4)CCCC(=O)N(C)C	6523
+CC1(C)C(C)(C)OB(O1)c2c(cc(cc2F)C3(CCC3)O)F	1327
+c1cc(ccc1)-c2nc(CCOc3cccc(c3)-c4cccc(c4)OC5(CCC5)C(=O)OCC)c(C)o2	267
+c1ccccc1COc2cccc(-c3cccc(OC4(CCC4)C(=O)OCC)c3)c2	134
+C1CCC1(C(O)=O)Sc2c3cc(ccc3ncc2)Br	3
+C1CCC1(Sc2c3c(ncc2)ccc(C#N)c3)C(OCC)=O	1572
+FC(F)(F)c1cc(ccc1)-c2cc3c(ccnc3cc2)SC4(CCC4)C(OCC)=O	11
+C1C(CC1)(C(O)=O)Sc2ccnc3c2cc(C#N)cc3	3
+C1CCC1c2c(c(F)ccc2)OC	564
+C1CCC1(CC(CC)=NO)c2cc(Cl)c(cc2)Cl	350
+C1CCC1(C#N)c2cc(O)ccc2	5
+FC(F)(F)c1nc(ncc1)Nc2cc(-c3sc(C4(CCC4)O)nc3)cc(C#N)c2	836
+C1C2(CC1)CC(Nc3cccc(F)c23)=O	1620
+C1CC(CCN1C2CCC2)CC(=O)OCC	85
+C1CC(CCN1C2CCC2)Oc3c(F)cc(cc3F)C4=NNC(=O)CC4	85
+C1CN(CCC1Oc2ccc(cc2)-n3ncc(C(OCC)=O)c3)C4CCC4	85
+c1cc(ccc1OC2CCN(CC2)C3CCC3)N4C(C)=Nc5ccccc5C4=O	85
+CC(C)(C)OC(N1CCN(CCC1)C2CCC2)=O	85
+CC(C)(C)OC(N1CCC(CC1)CC2CCN(CC2)C3CCC3)=O	85
+C1CCC1(Nc2ccc(cc2)CCCC(=O)N(C)C)C#N	1345
+C1CCC1(c2c(c(ccc2)F)OC)O	251
+C1CCC1(Nc2ccc(cc2)CCCC(NC)=O)C#N	1345
+C1C(CC1)(c2ccc(nc2Cl)C)O	1239
+FC(F)(F)c1cc(OC)c(C(NC2C(CCCC2)NC3CCC3)=O)c(SC)c1	87
+c1cc(ccc1C)NC2(CCC2)C#N	1621
+C1CCC1N2CCN(CCC2)C(=O)c3ccc(nc3)Cl	85
+O=S(=O)(c1ccc(cc1)-n2cc3CCN(CCc3n2)C4CCC4)C	85
+O=S(=O)(c1ccc(cc1)N2C(C=CC(c3cc4CCN(CCc4cc3)C5CCC5)=N2)=O)C	85
+C1C(CC1)N2CCc3ccc([N+]([O-])=O)cc3CC2	85
+C1C(CC1)N2CCc3c(cc(Oc4c(cc(cc4)I)F)cc3)CC2	85
+C1C(CC1)N(CCCc2c3cc(F)ccc3[nH]c2)C4Cc5c(ccc(F)c5OC4)C(N)=O	85
+C1C(CC1)N(CCCc2c[nH]c3c2cc(C#N)cc3)C4COc5cccc(OC)c5C4	85
+C1CCC1(O)c2cc(F)cc(F)c2	251
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4ccc(C(NC)=O)cc4OC	85
+C1CN(CCC1Oc2ccc(cc2)N3CCN(C(OCc4ccccc4)=O)CC3=O)C5CCC5	85
+c1cc(ccc1-n2nc3CCN(CCc3c2)C4CCC4)NS(=O)(=O)C	85
+C1C(CC1)N2CCc3c(cc(OCc4ccccc4)cc3)CC2	85
+C1C(CC1)(c2nccs2)O	3679
+CC(C)(C)OC(=O)Nc1c(C#CC2CCC2)cc(Cl)nc1	1243
+CC(C)c1c(O)c(C(=O)C2CCC2)ccc1	805
+C1C(CC1)c2nc3c(N(CCCCC)C(NC3=O)=S)[nH]2	6524
+C1CN(CCO1)C(=O)N2CCN(CCC2)c3nc(c4cc(c(cc4n3)OC)OCC5CCC5)N	116
+c1ccnc(OC)c1CCOc2c3cc(C(=O)O)[nH]c3ccc2	3816
+OC(=O)c1cc2c(cccc2OCCc3ccccc3OC)[nH]1	3816
+C1CCC1COc2c3c(ccc2)[nH]c(c3)C(O)=O	6
+C1CCC1Cc2csc(n2)C#N	6525
+C1CCC1Cc2nc(C(=N)NO)sc2	6526
+C1CCC1Cc2csc(C(N)=O)n2	6527
+CC(C)(C)NC(c1cc(CN2C(C)(C)CN(C(=O)c3cc(F)c(cc3)NC(NC4CCC4)=O)CC2)ccc1)=O	3817
+FC(F)(F)c1ccc(C(NC2CCC2)=O)c(O)n1	56
+C1CCC1NCCC#N	1287
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(c(S(=O)(=O)NC3CCC3)c2)OC	71
+C1C(CC1)Nc2cccc(F)c2	3436
+C1C(CC1)N2C(Cc3cc(ccc23)[N+]([O-])=O)=O	1611
+c1(cc(cc(Cl)c1Oc2ccc(c(C(=O)NC3CCC3)c2)OC)COC)Cl	14
+C1CCC1NCc2ccc(cc2)N3CCN(CC3)C(C)=O	42
+FC1(F)CN(C2CCC2)c3nc(Cl)ncc3NC1=O	1622
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)S(=O)(=O)N(C3CCC3)c4cccc(F)c4	57
+C1C(CC1)N2CCC3(CCN(CC3)S(=O)(=O)c4ccc(cc4)C(=O)C)CC2	92
+C1C(CC1)N2CCC3(CCN(CC3)c4nnc(cc4)Cl)CC2	212
+C1CCC1N2CCc3sc(nc3CC2)-c4ccc(cc4)N5CCN(C5=O)C	2626
+c1cc(ccc1)C2=C(N)c3cnc(nc3N(C4CCC4)C2=O)SC	3818
+FC1(F)C(N(c2c(nc(nc2)Nc3ccc(cc3)C(O)=O)N(C1)C4CCC4)C)=O	55
+C1C(CC1)NCCCN	51
+C1CCC1N(Cc2ccc(cc2)N3CCN(CC3)C(C)=O)S(=O)(=O)Cc4ccccc4	112
+C1CCC1Oc2nc(N)c3c(n2)n(C4OCCCC4)cn3	6528
+C1CCC1OC(=O)N2CCN(CC2)C(=O)OCc3ccccc3	3630
+COc1cc(cc(OC)c1Br)COC2CCC2	555
+C1C(CC1)OC(N2CCC(CC2)N(C)Cc3ccc(nc3)-c4ccc(cc4)S(=O)(=O)C)=O	1468
+C1C(CC1)OC(=O)N2CCNCC2	62
+CC1(C)OB(OC1(C)C)c2ccc3N(C(C)CCc3c2OC4CCC4)C(C5CC5)=O	17
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3ccc4c(CCC(C)N4C(C5CC5)=O)c3OC6CCC6)cn2	320
+C1CCC1Oc2c(-n3nccc3)ccc4N(C(C5CC5)=O)C(C)CCc24	901
+CC1(C)OB(OC1(C)C)c2c(c3CCC(C)N(c3cc2)C(OC)=O)OC4CCC4	17
+C1CCC1Oc2nc(c3nc(OC)n(C4OCCCC4)c3n2)N	1010
+CC1(C)OB(OC1(C)C)c2ccc(cc2OC)S(=O)(=O)C3CCC3	17
+C1CCC1c2[nH]c3nccc(Cl)c3c2	6529
+c1cc(ccc1C#N)COc2c(ccc(c2F)-c3cc4OCCNc4nc3)C5CCC5	22
+CC(C)OB(OC(C)C)c1ccc(C2CCC2)c(OC)c1F	1327
+OB(O)c1ccc(C2CCC2)c(c1F)OC	1509
+CCOC(OCC)c1cc(Br)cc(C2CCC2)c1OC	6530
+C1C(CC1)c2[nH]c3c(ccc[n+]3[O-])c2	6531
+C1CCC1n2cc(C#N)c3ccc(O)cc23	5
+CC(C)(C)OC(=O)NC1CN(c2c(cncc2)NC(c3nc4n(C5CCC5)ccc4cc3)=O)CC(C)C1	510
+C1CCCC12CCCC(C2O)C(OC)=O	770
+c1cc(ccc1)COc2cc(C(N3CCC(CC3)N4C(C5(CCCC5)C(c6cc(c(OC)cc6)OC)=N4)=O)=O)c(C)cc2	30
+C1CCC2(C1)c3ccc(N)cc3C(C2)=O	0
+C1CCC2(C1)CC(CC=O)(CCO2)n3nccc3	1981
+C1CCCC12CC(CCNCc3cccs3)(CCO2)n4nccc4	110
+C1CCC2(C1)C(=O)C(CCC2)C(OC)=O	6532
+c1cc(ccc1)CN2C3(CCCC3)CNC(C)(C)C2	15
+C1CCC2(C1)c3ccc(cc3C(=O)C2)O	477
+C1CCCC12CC(c3cc(OC)ccc23)=O	65
+C1CCC2(C1)CC(=O)c3cc(ccc23)[N+](=O)[O-]	77
+C1CCN2CCCC1(CN)C2	15
+CC(C)(C)[Si](C)(C)OC1CCCC2(C(CCCC12)=O)C	19
+C[Si](C)(C)C#Cc1ccc(N2C3CCCC3N(C)C2=O)nc1	3819
+C1CC(C(O)=O)=C(C(=O)Nc2sc3CCCc3c2-c4onc(C)n4)CC1	3788
+C1(C2=C(C(=O)N1c3cc(ccc3F)O)CCCC2)=O	2380
+c1cc(ccc1SCC2CCCCC2C(NCC#N)=O)SC	636
+C1CCCC(CC1)(NC(=O)c2ccc(OC)c(OC(C)=O)c2)C(OC)=O	259
+C1CCCC(CC1)(O)CC(Nc2c(C)ccc3C(=O)N(C=Cc23)C(CO)C)=O	59
+C1CCCC(CC1)(CNC(c2cccc3C(=O)N(C=Cc23)Cc4ccc(cc4)F)=O)O	6533
+C1CCCC(CC1)N2CCC3(CC2)OC(N(C)c4ccccc34)=O	6534
+C1CCCCC(C1)Oc2ccc(nc2)Cl	1346
+C1CN(CCN1C(=O)NC2CCCCC(O)C2)c3ccnc4cc(Cl)ccc34	2041
+CC(C)(C)OC(N1CCC(CC1)NC2CCCCC2CN=[N+]=[N-])=O	87
+c1cc(ccc1OC=2C=NN(C(C(=O)O)CC3CCCC3)C(C=2)=O)OC	6535
+C1CCOC(N2C(C(Cl)=C(Oc3c(cccc3)C(C)=O)C=N2)=O)C1	3820
+C1CCOC(N2C(C(=C(Oc3c(C)c(C)ccc3C)C=N2)Cl)=O)C1	3820
+FC(F)(F)c1c(ccc(c1)-c2cc3c(ncn3C4CCCCO4)c(C#N)n2)OCCCO	1165
+CC1(C)OB(OC1(C)C)c2cc(C)c3c(n(C4CCCCO4)cn3)c2	1623
+C1CCCC(O1)n2cnc3c2ccc(C#N)c3Cl	2627
+C1CCCC(n2c(OC)nc3c(nc(OC(CC)C)nc23)N)O1	1010
+C1CCCC(n2c(OC)nc3c(nc(OC(CCC)C)nc23)N)O1	1010
+C1CCCC(n2c(OC)nc3c(nc(OCC(C)CC)nc23)N)O1	1010
+CCC#Cc1ccc2c(c1Cl)cnn2C3CCCCO3	3729
+c1cc([N+]([O-])=O)cc(F)c1Oc2c(cc3n(C4CCCCO4)ncc3c2)C(=O)OCC	46
+c12ccc(-c3c(CC)cc(OC)c(c3)F)cc1n[nH]c2	804
+C1CC1c2c(-c3ncc4c(c3)n(nc4)C5CCCCO5)cc(F)c(c2)OC	3821
+c1ccccc1COc2ccc3c(nn(c3c2)C4OCCCC4)C(OCC)=O	22
+[N-]=[N+]=NCc1ccc2c(c1)n(C3CCCCO3)nc2	545
+C1CCCC(n2c3ccc(C#CC=O)cc3cn2)O1	2628
+CC(C)COc1ccc2c(c(nn2C3OCCCC3)C=O)c1	116
+c1cc(ccc1Oc2ccc3c(c(nn3C4OCCCC4)C=O)c2)[N+](=O)[O-]	46
+c1cc([N+]([O-])=O)cc2c(nn(C3CCCCO3)c12)-c4[nH]c5c(cccc5)n4	567
+c1(ccccc1-c2nn(C3CCCCO3)c4ccc(C#N)cc24)OC	1624
+c1cc(ccc1)CN2C(C)CC(Cn3c4ccc(-c5cn(C6CCCCO6)nc5)cc4cn3)C2	6536
+c1cc(ccc1)CCC(=O)N2C(C)CC(C2)Cn3ncc4c3ccc(-c5cn(C6CCCCO6)nc5)c4	58
+c1ccccc1S(=O)(=O)n2ccc3c2ncc(-c4c(-c5ccnc(SC)n5)cn(C6CCCCO6)n4)c3	276
+C1CC(CCN1C(=O)OCc2ccccc2)Cn3c4c(nc(cc4)-c5cn(nc5)C6CCCCO6)cc3	6537
+CC1(C)OB(OC1(C)C)c2cn(C3CCCCO3)nc2	2611
+C1CCCC(n2cnc(-c3sc(-c4ccnc(NC(OC)=O)c4)c(C#N)c3Br)n2)O1	6538
+C1CCCC(n2cnc3c2nc(nc3N)OCC(C)CC)O1	482
+C1CCCC(n2cnc3c2nc(nc3N)OC(CCC)C)O1	482
+CC(C)(C)OC(=O)N1CCN(C(C)c2cnc(F)c(-c3nc(nc4n(cnc34)C5CCCCO5)C)c2)C(C1)C	3822
+CC(C)(C)OC(N1CCN(CC1)Cc2cc(-c3c4c(n(cn4)C5CCCCO5)nc(n3)C)c(nc2)F)=O	3822
+CC(C)(C)OC(=O)N1CCCC(Nc2nc(Cl)nc3n(C4OCCCC4)cnc23)C1	516
+C1CCCC(n2cnc3c2nc(Cl)nc3N)O1	1095
+c1cc(ccc1)C(c2ccccc2)CNc3nc(Cl)nc4c3ncn4C5OCCCC5	516
+c1(nc(c2c(n1)n(cn2)C3CCCCO3)N)NC(CCC)C	1333
+CC(C)(C)OC(=O)N1CC(C1)c2c(OC)c(cc(c2C)Cl)C(C)Nc3c4ncn(c4ncn3)C5CCCCO5	2042
+c1cc(ccc1[N+]([O-])=O)Oc2c3ncn(C4OCCCC4)c3ncn2	6539
+n1c2cccnc2c(-c3ccc(cc3F)C(=O)OC)[nH]1	6540
+C1CCCCN1CCOc2cc3c([nH]c(-c4nn(cc4[N+]([O-])=O)C5OCCCC5)n3)cc2F	567
+N1(C)CCN(c2c(cc3nc([nH]c3c2)-c4c([N+]([O-])=O)cn(C5CCCCO5)n4)F)CCC1	567
+CN(C)CCNc1c(F)cc2[nH]c(nc2c1)-c3nn(cc3[N+]([O-])=O)C4OCCCC4	567
+C1CCCC(n2nc(c3cccnc23)CCO)O1	95
+Clc1cc(C#N)cc(c1)OC2=C(C)C=CN(CCc3c4cccnc4n(n3)C5CCCCO5)C2=O	6541
+FC(F)(c1ccccc1)c2nc(on2)C3CCC(Nc4c5c([nH]nc5)ncn4)C3	6542
+c1ccccc1-c2nc(on2)C3CCC(Nc4ncnc5c4cnn5C6OCCCC6)C3	3823
+C1CN(CCC1Nc2c3c(ncn2)n(C4OCCCC4)nc3)CC(F)(F)Cc5ccccc5	3823
+c1cc(ccc1C2(CCCC2)C(NCC(=O)OC)=O)-c3ccc(cc3)CCN4C(CCC4)C	188
+C1CCCC1(C(O)=O)Cc2ccccc2	3
+C1CCCC1(c2c(Cl)c(cs2)C)C(=O)NN	1296
+c1c(Cl)c(c(cc1)Cl)C(Nc2ccc(cc2)CC(NC(=S)C3(CCCC3)CCCCS(=O)(=O)C)C(=O)OC)=O	50
+c1cc(ccc1NC(c2c(Cl)cccc2Cl)=O)CC(NC(=O)C3(CCCC3)CCOC)C(OC)=O	188
+c1cc(ccc1CC(C(OC)=O)NC(C2(CCCC2)Cc3ccccc3)=O)[N+]([O-])=O	188
+C1CCCC1(C(Cl)=O)c2c(Cl)c(cs2)C	130
+C1CCC(C1)(CC(N)=N)c2c3c(ccc2)cccc3	3824
+C1CCC(C1)(CC(Cl)=C)C(O)=O	4
+CC(C)(C)OC(c1c(OCc2ccccc2)c(O)nc(CC3(CCCC3)c4ccc(cc4)Br)n1)=O	6543
+C1CCCC1(C(O)=O)CCOC	4
+C1CCCC1(C#N)COCc2ccccc2	149
+CC(C)(C)OC(=O)NCC1(CCCC1)CO	37
+C1CCCC1(COS(=O)(=O)C)c2c3ccccc3ccc2	7
+C1CCCC1(CC#N)c2cccc3ccccc23	300
+C1CCCC1(NC(=O)c2ccc3c(c2OCC4Oc5ccccc5OC4)cccc3)C(=O)OC	259
+C1CCCC1(C(O)=O)NC(c2ccc3ccccc3c2OCC4Oc5ccccc5OC4)=O	4
+C1CCCC1(c2ccc(cc2)O)C	957
+C=1CCCC=1c2ccncc2Br	252
+C1CCCC1(O)c2c(cncc2)N3C(N(c4cc(ncc4)Cl)CC3)=O	3825
+C1CCC(C1)(c2scc(c2Cl)C)C(NNC(NC)=S)=O	6544
+C1CCCC1(c2c(c(cs2)C)Cl)c3nnc4n3CCCCC4	3826
+c1cc(ccc1Br)C2(CCCC2)CC#N	300
+C1CC(CCC1C2(CCCC2)C)O	2391
+CC(C)(C)OC(=O)c1nc(CC2(CCCC2)c3ncccc3)nc(O)c1OCc4ccccc4	6545
+C1CCCC12C(CN(C(CC#N)=O)C2)Nc3nc(Nc4cn(C)nc4)ncc3C	10
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(C3(CCCC3)C(c4cc(c(OC)cc4)OC)=N2)=O	6546
+C1CC(CCC1)N2N(C(C)=C(NC(c3noc(C4=CCC5(CCCC5)CC4)c3C)=O)C2=O)C	2629
+C1CCCC12CC=C(c3c(C)c(C(=O)O)no3)CC2	6
+C1CCC2(C1)C(OS(=O)(=O)C)C(C(=O)OC)CCC2	7
+C1CCC(C1)(Sc2ccc(cc2)Oc3ccccc3)CC(=O)O	6547
+C1CCCC1c2c(C(=O)OCC)c(C3CCCC3)on2	6548
+C1CCCC1C(CC#N)=O	1982
+C1CCCC1C(c2ccc(cc2)Cl)C(O)=O	4
+C1CCC(C1)C(C(OC)=O)c2cc(CC(=C)C)c(O)cc2	1625
+C1CCCC1c2cc(n[nH]2)N	3321
+Clc1cccc(Cl)c1-c2noc(C3CCCC3)c2C(=O)OCC	6549
+C1CCCC1c2n(CC(OCC)=O)c(cc2)C	6550
+C1CN(CCN1C2CCCC2)c3nccc(NC(C4CCCC4)=O)n3	195
+FC(F)(F)c1cc(cc(NC(=O)C2CCCC2)c1)-c3cnco3	26
+c1cc(ccc1NC(=O)C2CCCC2)S(=O)(=O)C	26
+C1CCC(C1)C(=O)Nc2c3c([nH]c2)ncc(Cl)c3F	308
+C1CCCC1C(=O)Nc2cccc(NC=3C=C4N(CCc5c4ccc(OC)c5)C(=O)N=3)c2	6551
+C1CCC(C1)C(NC(CC)c2c(nc(-c3cc(ccc3)[N+](=O)[O-])nn2)O)=O	68
+C1CCC(C1)C(NC(c2c(nc(C3OCCC3)nn2)O)CC)=O	68
+CC(C)(C)OC(N1CCCC(c2nc(C3CCCC3)on2)C1)=O	1166
+C1CCC(C1)C(=O)NCCn2c3CCN(Cc3c4cc(ccc24)C)C	9
+C1CC(CCN1C)OC(C(c2cccc(F)c2)(C)C3CCCC3)=O	2630
+CC(C)(C)OC(C1(CC1)Cc2cc(ccc2)NC(=O)C(c3ccc(cc3)COC(C)=O)C4CCCC4)=O	33
+CC(C)(C)OC(C1(CC1)Cc2cc(ccc2)NC(=O)C(C3CCCC3)c4ccc(cc4)Cl)=O	33
+c1ccccc1C(C2CCCC2)(C(O)=O)C	4
+C1CCCC1C2(CCN(CC2)c3ccc(cc3)C(=O)NN)OC	1094
+c1cc(ccc1F)Cc2nc(on2)C3=C(OCc4ccccc4)C(=O)N(C(=N3)C5CCCC5)C	6552
+CC(C)OC(c1cc2c(cc1)C3=NN(C(C4CCCC4)C3CC2)c5cc(Cl)c(C#N)cc5)=O	47
+C1CCCC1C2N(N=C3c4ccc(cc4CCC23)C(=O)O)c5cc(Cl)c(C#N)cc5	1
+C1CCCC1C2=NC(=C(C(=O)N2C)OCc3ccccc3)C(O)=O	108
+C1CCCC1C=C(c2n(c3ncc(OC(C)C)cc3c2)S(=O)(=O)c4ccccc4)c5ccc(cc5)S(=O)(=O)C	2034
+C1CCCC1C=C(c2ccc(cc2)S(=O)(=O)C)c3cc4c(ncc(c4)O)n3S(=O)(=O)c5ccccc5	390
+C1CCC(C1)C=C(c2cc3c(ncc(c3)OC(C)C)[nH]2)c4ccc(cc4)S(=O)(=O)C	1017
+C1CCCC1CC#Cc2cc(C(=O)NC(CO)Cc3c[nH]c4ccccc34)c(OC(C)C)cc2	121
+C1CCCC1CC(=O)Nc2cnc3n(ccc3c2NC4CCN(CC4)S(=O)(=O)C)S(=O)(=O)c5ccccc5	112
+c1cc(ccc1C(CC2CCCC2)=O)CCl	109
+C1CCC(C1)CC(CN(OCc2ccccc2)C=O)C(=O)NNc3nc(nc(N4CCN(CC4)C)c3F)CC	355
+C1CCCC1CC(C(=O)Nc2ccn(CC(C)(C)O)n2)N3N=CC=CC3=O	142
+C1CCCC1CC(C(OC)=O)O	27
+C1CCCC1CC(C(Nc2ncc(Br)cc2)=O)c3ccc(c(F)c3)-n4c(nnn4)C	142
+C1CCC(C1)CC(C(=O)Nc2sccn2)c3ccc(cc3)-c4ccc5c(c4)cc[nH]5	373
+c1cc(ccc1C(C(Nc2ccccn2)=O)CC3CCCC3)-c4cnccc4	142
+C1CCC(C1)CC(c2ccc(cc2)I)C(OC)=O	27
+c1ccccc1C(=O)Nc2ccc(cc2)C(CC3CCCC3)C(=O)Nc4sccn4	373
+c1cc(ccc1N)C(CC2CCCC2)C(=O)O	0
+c1cc(ccc1C(C(=O)Nc2sccn2)CC3CCCC3)[N+]([O-])=O	373
+C1CCCC1CC(C(NC2CCCN(S(=O)(=O)c3ccccn3)CC2O)=O)NC(=O)c4occc4	2043
+C1CCCC1CC(C(NC2C(O)CNCCC2)=O)NC(=O)c3occc3	62
+C1CCCC1CC(NC(=O)c2occc2)C(=O)NC3CCCN(S(=O)(=O)c4ccccn4)CC3=O	86
+C1CCCC1CC(N)C(OC)=O	27
+C1CCCC1CC(C(=O)O)O	2631
+C1CCCC1CC(c2ccc(S(=O)(=O)C)c(c2)Cl)C(O)=O	902
+C1CCCC1CC(C(OC)=O)N2C(C=C(Oc3c(C)ccc(C)c3C)C=N2)=O	3827
+C1CCCC1CC(N2C(=O)C=C(C=N2)Oc3c(cccc3)C(=O)C)C(OC)=O	3827
+C1CCCC1CC(N2C(C=CC=N2)=O)C(OC)=O	6553
+C1CCC(C1)CC(C(=O)O)N2C(C=C(Oc3c(C)ccc(C)c3C)C=N2)=O	4
+c1cc(ccc1C(C(N)CC2CCCC2)N)Cl	2526
+FC(F)(F)c1cccc2c1CN(C2=O)C(C(OC)=O)CC3CCCC3	1880
+C1CCC(C1)CC(N2C(C=C(Oc3c(cccc3)C(=O)C)C=N2)=O)C(=O)O	4
+C1CCCC1CC(C(=O)O)N2N=CC=CC2=O	4
+C1CCCC1CC(C(=O)Nc2nc3ccccc3cc2)c4cc(C#N)c(cc4)S(=O)(=O)C	142
+c1cc(ccc1C#N)Cn2ccc(NC(=O)C(c3cc(c(S(=O)(=O)C)cc3)Cl)CC4CCCC4)n2	6554
+C1CCCC1CC(c2cc(c(S(=O)(=O)C)cc2)Cl)C(=O)Nc3ccn(n3)C	142
+C1CCCC1CC(C(=O)Nc2ncc(nc2)CC#N)c3cc(c(S(=O)(=O)C)cc3)Cl	1018
+c1cc(ccc1C(C(=O)Nc2sccn2)CC3CCCC3)Br	373
+CN(C)CC#Cc1ccc(cc1)C(C(=O)Nc2sccn2)CC3CCCC3	373
+c1cc(ccc1C#Cc2ncccc2)C(C(=O)Nc3sccn3)CC4CCCC4	373
+C1CCCC1CCC(=O)N2CCC3c4cccc(OC)c4CCC23	58
+CC(C)(C)OC(C(O)=O)c1c(nc2cc(nn2c1-c3cc(c4c(CCCO4)c3C)F)NC(=O)CCC5CCCC5)C	195
+C(c1cccc(CC)c1NC(CCC2CCCC2)=O)C	26
+FC(F)(F)c1cc(Br)cc(Cl)c1NC(=O)CCC2CCCC2	26
+C1CCC(C1)CCC(Nc2c([N+](=O)[O-])cc3C(CCc3c2)=O)=O	26
+C1CCC(C1)CCCN2C3CCc4c(cccc4C3CC2)OC	15
+C1CCCC1CCCC=O	3828
+C1CCCC1CCCCO	237
+C1CCCC1CCC=O	24
+FC(F)(F)c1c(cc(C(C(OC)=O)CC2CCCC2)cc1)F	434
+FC(F)(F)c1cc(C(C(O)=O)CC2CCCC2)ccc1F	434
+C1CCC(C1)CC(C(OC)=O)c2cc(c(SC)cc2)Cl	434
+C1CCC(C1)CC(c2ccc(c(Cl)c2)Cl)C(O)=O	434
+C1CCCC1CC(c2ccc(cc2)Br)C(=O)O	434
+C1CCC(C1)CC(c2ccc(cc2)OCc3ccccc3)C(OC)=O	434
+c1cc(ccc1C(C(OCC)=O)CC2CCCC2)S(=O)(=O)CC(C)=O	434
+C1CCCC1CC(C(=O)O)c2ccc(cc2)I	434
+C1CCC(C1)CC(c2ccc(cc2)[N+]([O-])=O)C(OCC)=O	434
+C1CCCC1CNc2c([N+]([O-])=O)cc(cc2)N(S(=O)(=O)c3ccccc3)C	60
+C1CCCC1CN(c2ccc(nc2C=O)OC)CC	178
+C1CCCC1CN(CC)c2c(nc(cc2)OC)CO	1262
+CC(C)(C)OC(=O)c1ccc(Cn2cc(C=O)c3c2cc(cc3)CC(NCC4CCCC4)=O)c(OC)c1	190
+C1CCCC1CNC(=O)Cc2cc3[nH]cc(C=O)c3cc2	287
+C1CCCC1CNc2c(N)cc(cc2)N(C)S(=O)(=O)c3ccccc3	0
+C1CCCC1CS(=O)(=O)NC(=O)C2CCN(CC2)c3nc(C)c(cc3C#N)C(OC(C)C)=O	344
+C1CCCC1Oc2cc(O)c(C=O)cc2	313
+C1CCCC1NCCc2ccc(cc2)OC	6555
+C1CCCC1Oc2ccc(cc2)Cc3cc(ccc3Cl)Br	313
+C1CCC(C1)Nc2n3nc(-c4ccco4)c(c3ccc2)-c5nc(NC6CCCC6)ncc5	1162
+C1CCC(C1)Nc2nccc(n2)-c3c(nn4c(NC5CCCC5)cccc34)Cc6ccccc6	1162
+C1CCC(C1)Nc2nc(ccc2)CCOC3OCCCC3	340
+CC(C)(C)OC(=O)NC(C(=O)NC1CCCC1)CC#N	9
+C1CCCC1Nc2cc(ccn2)-c3c(c4ccccn4n3)-c5ccnc(NC(C)C)n5	182
+C[Si](C)(C)CCOCn1c2nc(Cl)nc(c2c(I)c1)NC3CCCC3	974
+C1CCCC1Nc2c(C)c(C)nc(NCc3ccccn3)n2	40
+C1CCCC1Nc2cc(ccc2C#N)Cl	60
+C1CCCC1Nc2ncccc2C(=O)c3c4c([nH]c3)cc(Cl)cc4	70
+C1CCCC1Nc2nc(Cl)ncc2[N+](=O)[O-]	40
+c1(nc(nc(Cl)c1)NC2CCCC2)Cl	96
+FC(F)(C)C(=O)NC(C)C(Oc1cc2cnn(-c3cccc(c3)C(=O)NC4CCCC4)c2cc1)c5ccc(OC)nc5	2527
+C1CCC(C1)NCC(=O)N2C(C#N)CCC2C	402
+C1CCC(C1)Nc2c(nc(c(n2)C#N)C#N)N	464
+C1CCC(C1)Nc2ccc(cc2)S(=O)(=O)Oc3ccc4nc(Nc5cc(c(cc5)OC)OC)n(c4c3)Cc6ccccc6	60
+C1CCC(C1)NS(=O)(=O)c2cc(cc3ncccc23)-c4c(noc4C)C	71
+C1CCCC1NCc2cccc(OCC3OC3)c2	42
+C1CCC(C1)Nc2cc(ccn2)-c3c(nn4ccccc34)-c5nc(sc5)C	182
+C1CCCC1Nc2cc(Cl)nc(NC3CCCC3)n2	40
+C1CCC(C1)Nc2cc(cc3c(c(nn23)-c4ccc(cc4)OC)-c5nc(SC)ncc5)Cl	1162
+c1cc(ccc1C(CBr)=O)S(=O)(=O)NC2CCCC2	71
+C1N(CC1)C2=NC3C(O)C(O)C(CNC4CCCC4)OC3S2	463
+C1CCC(C1)Nc2cccc3c(c(nn23)-c4ccc(cc4)F)Br	1162
+c1cc(ccc1F)-c2n(-c3nc(ncc3)NC4CCCC4)c5ccc(nc5n2)Cl	306
+C1CCC(C1)NCc2ccc(cc2)N3c4c(cc(c(c4Cl)N5CCN(CC5)c6ccccn6)F)C(=O)C(C(OCC)=O)=C3	370
+c1cc(ccc1OC)CN2C(=O)C(=C(CNC3CCCC3)N(CCC)C2=O)[N+](=O)[O-]	6556
+C1CCC(C1)Nc2cccc3c(c(nn23)-c4ccncc4)C(C)=O	1162
+C1CCCC1Nc2c3n(c4c(cccc4)n2)c(C)nn3	3829
+C1CCCC1Nc2c(I)c(Cl)nc(CC)n2	40
+C1CCCC1N2CC(C(Nc3cnc(Cl)nc23)=O)CCC	1622
+C1CCCC1N2c3c(cnc(Cl)n3)NC(C(C)(C2)F)=O	1622
+C1CCCC1N2CC(F)(F)C(=O)Nc3cnc(Cl)nc23	1622
+c1cc(ccc1C(=O)NN(c2c(Br)cnc(C#N)n2)C3CCCC3)CCl	1798
+C1CCCC1N2c3c(NC(C2CC)=O)cnc(Cl)n3	2044
+C1(C)CN(CC(C)O1)c2ccc(Nc3ncc4C(=C(C(=O)N(C5CCCC5)c4n3)C(C)=O)C)nc2	6557
+C1CCCC1N2N(C(CN3CCN(CC3)c4c(ccc(Cl)c4)OC)=C(C2=O)Cl)C	3830
+C1CCCC1N2C(CC)C(=O)N(C)c3cnc(nc23)-c4c(cncc4)CNS(=O)(=O)C	111
+C1CCCC1N2CCc3c(cc(cc3)O)C2=O	5
+C1CCC(C1)N2c3nc(ncc3N(C(=O)C(F)(C)C2)C)Nc4ccc(cc4OC)C(=O)O	55
+CC1(C)C(N(c2c(N(C3CCCC3)C1)nc(Cl)nc2)C)=O	998
+C1CCCC1N2c3c(cc(F)c(NC4CCCCC4)c3)C(=O)C(Oc5ccc(cc5)C(O)=O)=C2	872
+FC1(F)C(N(c2c(nc(Nc3cc(F)c(C(=O)OC)cc3OC)nc2)N(C4CCCC4)C1)C)=O	55
+C1CCCC1N2CC(C(=O)N(C)c3c2nc(Cl)nc3)(C)F	998
+C1CCCC1N2c3c(cnc(Nc4c(cc(C(=O)NC5CN6CCC5CC6)cc4)OC)n3)N(C)C(C(C)(C)C2)=O	14
+C1CCCC1NC(C2(C(=O)NCCC2)COc3cccc(N)c3C#N)=O	623
+C1CCCC1NC(=O)C2(C(=O)NCCC2)COc3c(C(N)=N)c(ccc3)N	6558
+C1CCCC1NC(=O)C2(COc3cccc(N)c3C(NO)=N)C(=O)NCCC2	181
+C1CCCC1NC(=O)C2(C(=O)NCCC2)COc3cccc(c3C#N)F	57
+C1CCCC1N(CC(C(=O)OCC)CCC)c2nc(Cl)ncc2[N+](=O)[O-]	54
+C1CCCC1N(CC(C(OCC)=O)(C)F)c2nc(Cl)ncc2[N+]([O-])=O	54
+c1cc(ccc1)CN(C2CCCC2)CC(C(OCC)=O)(O)C	131
+CC(C)(C)OC(N(Cc1cc(ccc1)OCC2OC2)C3CCCC3)=O	23
+O=S1(=O)CCC(Nc2c(C)c(C)nc(NCc3ccccn3)n2)C1	3793
+c1(F)cc(Nc2nc(NCc3ccccn3)nc(c2C)C)ccc1F	6559
+C1CCC(C1)Nc2c(C(=O)Nc3cc4c(CCC(=O)N4C)cc3)ccc(c2)Cl	67
+C1CCC(C1)Nc2nc(N3CCNCC3)cc(n2)NC4CCCC4	54
+C1CCCC1Nc2cc(Cl)ccc2C(=O)O	3831
+C1CCCC1Nc2nccc(-c3nn4c(cccc4Cl)c3-c5nc(NC(C)C)ncc5)c2	2621
+C1CCC(C1)Nc2nc(ccn2)-c3c(nn4c(nccc34)SC)-c5cc(Cl)ccc5	6560
+c1ccccc1CCNc2ncccc2C(c3c[nH]c4cc(Cl)ccc34)=O	6561
+C1CCC(C1)OC(=O)Nc2ccc3c(n(Cc4ccc(C(=O)OC)cc4OC)nc3OC)c2	90
+C1CCCC1OCC(Nc2nn3c(nc(cc3C)C)c2-c4cc(C)c(cc4)Cl)=O	195
+C1CCCC1OCC(Cl)=O	130
+O=S(=O)(C)c1c(Cl)cc(cc1)C(=NOC2CCCC2)C(Nc3nn(CCC)cc3)=O	6562
+C1CCC(C1)Oc2cc(c(F)cc2Cl)NC(OC)=O	6563
+C1CCCC1Oc2c(OC)cc(cc2)CC(O)=O	4
+C1CCCC1Oc2cc(C(=O)Cl)ccc2SC	82
+C1CCCC1Oc2cc(NC(=O)C=3CCCCC=3C(NCCCC)=O)c(F)cc2Cl	3440
+C1CCCC1Oc2c(SC)ccc(C(O)=O)c2	1
+Clc1cncc(Cl)c1NC(c2ccc(SC)c(OC3CCCC3)c2)=O	50
+C1CCC(C1)Oc2cc(ccc2OC)C=3CC(ON=3)(CC(=O)OC)C(O)=O	4
+FC(F)(F)S(=O)(=O)Oc1cc(OC2CCCC2)ccc1C=O	166
+C1CCCC1Oc2cc3c(cc2OC)C(Cc4cc(OC)ccc4)NC=C3C=O	6564
+C1CCC(C1)Oc2c(OC)cc3c(Cc4cc(OC)ccc4)ncc(C=O)c3c2	6565
+FC(F)(F)c1nn(-c2ccc(cc2)CNS(=O)(=O)C3CCCC3)c4c1CCCC4	111
+C1CCC(C1)Sc2c(C=CC(=O)NC3C(CCCC3)O)cccc2	2632
+C1CCCC1c2ccc(cc2)-c3c(cn(C)c3C(OCC)=O)C#N	6566
+C1CCC(C1)c2c(CO)c(on2)C3CCCC3	903
+C1CCCC1c2c3c(c(O)nc(CNC(C)=O)n3)[nH]n2	6567
+C1CCC(C1)c2c(C(O)=O)c(Cl)ccc2	1
+C1CCC(C1)c2noc(C(=O)N)c2N	6568
+C1CCCC1c2ccncc2N3C(=O)N(c4ccnc(Cl)c4)CC3	3825
+C1CCCC1c2c3c(n[nH]2)c(nc(CN)n3)O	524
+C1CCCC1c2n[nH]c3c(O)nc(CNCCCl)nc23	110
+O=S(=O)(Cl)c1ccc(OCC)c(-c2nc3c(noc3c(O)n2)C4CCCC4)c1	240
+C1CCCC1c2c(OCc3ccccc3)ccc(C=CC(=O)OCC)c2	530
+C1CCCC1c2c(OC(=O)OC)cc(N)c(c2)Cl	0
+C1CCC(C1)c2cc(O)c(cc2)C=O	491
+c1ccccc1COc2cc(ccc2)C3CCCC3	22
+C1CCC(C1)c2cc(n[nH]2)Nc3cc(C)nc(Cl)n3	349
+c1cc(ccc1C2CCCC2)-c3ccnc(c3)-c4c5c(c6ccc(C)nc6o5)ccc4	6569
+c1cc(ccc1N2C(=O)c3ccccc3N=C2c4cnc(Cl)cc4)C5CCCC5	6570
+O=S(=O)(N1CCCC1)c2ccccc2Cc3c(n(CC(OCC)=O)c(C4CCCC4)c3)C	1919
+C1CCCC1c2nc(C)c3C(NC(=Nn23)c4cc(N)ccc4OCCC)=O	0
+C1CCCC1c2n3N=C(NC(=O)c3c(C)n2)c4cc(NS(=O)(=O)c5cc(C#N)ccc5)ccc4OCCC	69
+C1CCCC1c2c(c(on2)C(=O)N)[N+](=O)[O-]	2633
+c1(Cl)cccc(Cl)c1-c2noc(c2COc3ccc(cc3)-c4cc5c(cc4)nc(cc5)C(OC)=O)C6CCCC6	20
+C1CCCC1n2c(cc3c2nc(Cl)nc3)C(O)=O	2634
+C1CCC(C1)N2C=3C(C(=O)N=C(c4c(OCC(OCC)=O)cccc4)N=3)=C(CC)N2	2635
+C1CCC(C1)N2C3=NC(c4cc(OCC(OCC)=O)ccc4)=NC(=O)C3=C(N2)CC	2635
+C1CCC(C1)N2C3=NC(c4cccc(OCc5ccncc5)c4)=NC(=O)C3=C(N2)CC	2635
+C1CCCC1n2ncc(c2N)C(N)=O	3832
+C1CCCC1n2c3nc(nc(c3nn2)O)CCl	6571
+C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3	147
+C1CCCC1n2c(C=O)cc3c2nc(Cl)nc3	1921
+C1CCCC1n2nc(-c3cc(CC#N)ccc3)c4c2ccnc4O	104
+CC(C)(C)OC(Nc1c(OC)cc(cc1)-c2c3c(ncnc3Cl)n(c2)C4CCCC4)=O	1311
+C1CCCC1n2nc(-c3cc(CC(=O)N)ccc3)c4c2ccnc4O	527
+C1CCC(C1)n2ncc3c2nc(nc3O)CC4CCCCC4	6572
+C1CCC(C1)n2c(-c3ccc(cc3N)Br)ccn2	0
+c1cc(ccc1OC)CN(Cc2nc3n(nnc3c(O)n2)C4CCCC4)CCCl	48
+C1CCCC2(CC1)CCC(COc3ccc(cc3)CCC(=O)OC)C2	20
+C1CCCC2(CC1)CCC(COc3ccc(cc3)CCC(=O)O)C2	4
+C1CCCc2c(Cl)n3nccc3nc2C1	3833
+C(Cn1c2c(cc(C(=O)N3C4C(CCCC4)CCC3)cc2)nc1)N=[N+]=[N-]	30
+C1CCCC=C1CCC(OC)=O	27
+C1CCCC=C1CCC(=O)O	1317
+C(COc1cccc(-c2noc3cc(ccc23)F)c1)(CNCCC=4CCCCC=4)O	122
+c1cc(ccc1C(c2ccc(cc2)O)=C3CCCCCC3)C=CC(=O)N	2045
+C1CCCCC(C1)=C(c2ccc(cc2)OC(C)(C)CO)c3ccc(cc3)O	44
+c1ccccc1N2CNC(=O)C23CCN(CC3)C4(CCCCCC4)C#N	735
+C1CCCC(CC1)N2CCC3(CC2)OC(Nc4ccccc34)=O	85
+O=C(OCC)C(=O)C1C(CCCCC1)=O	3834
+C1CCCCCC12OC2	1626
+C1CCCCCC1=C(c2ccc(cc2)O)c3ccc(cc3)Br	904
+C1CC(CCCC1)=C(c2ccccc2)c3ccc(cc3)Br	904
+c1cc(ccc1O)C(c2ccc(cc2)O)=C3CCCCCC3	904
+CC(C)(C)OC(=O)NCc1ncc(OC2CCCCCC2)cc1	3835
+C1CCCCC(C1)Oc2ccc(C#N)nc2	1958
+C1CCCCCCCCCC(C1)C=CCc2ccccc2	1516
+c1cc(ccc1C2(C3(CCCCC3)O2)OC)SC	2636
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+C1CCCCC1N2CCN(CC2)C(C=C(C)N)=O	6590
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+C1CCCCC1NC(C2(C(=O)NCCC2)COc3cccc(N)c3C#N)=O	623
+c1ccccc1CN2c3ccc(Cl)cc3C(=C(C2=O)C#N)Cl	2050
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+C1CCCCC1Nc2c3cnn(CC)c3ncc2C(O)=O	6
+C1CC(CCC1)Nc2cncc(-n3c(C)cc(C)n3)n2	6591
+C1CC(CCC1)N(c2ccc(cn2)[N+]([O-])=O)C	1347
+C1CCCCC1Oc2ccc3c(ccc(CN4CCC(CC4)C(=O)OCC)n3)c2	419
+C1CC(CCC1)Oc2nc(CN3CCN(CC3)S(=O)(=O)c4ccc(cc4)OC)nc5ccccc25	6592
+CC(C)(C)OC(=O)N1CC(COc2c(OC3CCCCC3)cccc2)CCC1	419
+C1CCCCC1OC(C2CCC3C2(C)CC(NCCC(C)C)C4C5(CC(O)C(O)CC5CCC34)C)=O	2630
+C[Si](C)(C)CCOCn1cc(c2nc(cnc12)OC3CCCCC3)C(=O)NC(C(C)(C)C)C(N4CCC(CC4)C#N)=O	6593
+C1CC(CCC1)Oc2cccc(N)c2C#N	57
+C1CCCCC1Oc2cc(ccc2C=CC(=O)OCC)OCCOC	419
+O=S(=O)(C)Nc1c(OC2CCCCC2)ccc([N+]([O-])=O)c1	57
+C1CCCCC1Oc2c([N+](=O)[O-])cccc2	57
+C1CC(CCC1)OCc2cc(c(cc2Cl)Br)F	2638
+C1CCCCC1Oc2ccc(nc2)Cl	1346
+C1CC(CCC1)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	1117
+C1CCCCC1Oc2ccc(Br)cn2	91
+C1CCCCC1OCCSc2nn3c(cc(nc3n2)C)C	2425
+C1CC(CCC1)ON=C(C(=O)CCl)C(OCC)=O	969
+C1CC(CCC1)Oc2ccccc2N	0
+C1CC(CCC1)Oc2c(CCC(=O)OCC)ccc(c2)OCCOC	159
+C1CCCCC1Oc2ncc(cc2)-c3c(N)ncc(F)c3	1168
+C1CCCCC1Oc2ccc(B(O)O)cn2	2639
+C1CCCCC1Oc2ccc(CN)nc2	421
+FC(F)(F)C(N1CCc2ccc(c(NCc3ncc(cc3)OC4CCCCC4)c2CC1)Cl)=O	1627
+C1CCCCC1Oc2ccc(cc2)-c3cc(nnc3CCCC)Cl	218
+C1CCCCC1Oc2ccc(cc2)-c3c(CCCC)nnc(OCC4C(CCN(C4)C)O)c3	113
+CC(C)(C)OC(=O)N1CCC(OCOC)C(C1)COc2nnc(CCCC)c(-c3ccc(cc3)OC4CCCCC4)c2	485
+C1CCCCC1Oc2ccc(C#N)nc2	1958
+C1CCCCC1Oc2ccc3c(ccc(CN4CCC(CC4)C(=O)O)n3)c2	3
+C1CCCCC1S(=O)(=O)NCCc2cc(cc(CCC(OCC)=O)c2)Cc3cccnc3	111
+O=S(=O)(c1c(C=O)cccc1)C2CCCCC2	720
+C1CC(CCC1)c2nc(C)cn2-c3c([N+]([O-])=O)ccc(F)c3	431
+C1CC(CCC1)c2n(CC)c3ccc(cc3c2)[N+]([O-])=O	557
+CC1(C)C(C)(C)OB(O1)c2cnc3[nH]c(cc3c2)C4CCCCC4	234
+C1CC(CCC1)c2c3ccc(cc3n(CCC(=O)OC)c2Br)C(=O)OC	167
+C1CC(CCC1)c2c(N=C=O)cccc2	6594
+C1CC(CCC1)c2c(-c3c(C)cnc(Nc4cc(ccc4)NCCN(CC)CC)n3)sc(SC)c2C#N	601
+C1CCCCC1c2c(c(sc2-c3c(cnc(n3)Nc4cc(ccc4)N)C)SC)C#N	0
+CC(C)(C)[Si](C)(C)Oc1c(cc(Br)cc1)C2CCCCC2	154
+c1cc(ccc1NCC(COc2c(C3CCCCC3)cccc2)O)N4C(NCC4)=O	843
+C1CN(CCO1)C(Cn2c(Br)c(c3c2cc(cc3)C(OC)=O)C4CCCCC4)=O	10
+C1CC(CCC1)c2c3ccc(C(OC)=O)cc3[nH]c2-c4ccccc4CCOC5CCCCO5	2549
+C1CCCCC1c2cc(c(cc2)C(CCC(O)=O)O)OC	74
+C1CCCCC1c2cc(OC)c(CCO)cc2Cl	95
+C1CC(CCC1)c2cc(c(cc2)CCCC(=O)O)OC	414
+c1cc(ccc1)C(C)(c2c(ccc(C3CCCCC3)c2)O)O	3847
+C1CCCCC1c2ccc3nc(c(n3c2)-c4nc(c(s4)C(O)=O)-c5ccccc5)C	6
+C1CCCCC1c2ccc3nc(C)c(-c4nc(-c5ccccc5)c(s4)C(N)=O)n3c2	1169
+C1CCCCC1c2nc(C)cn2-c3cc(-n4c(C5CCCCC5)nc(C)c4)c(cc3)N	0
+C1CC(CCC1)c2sc(c(C)n2)C(O)=O	6
+C1CCCCC1c2nc(cn2-c3ccc4nnc5c(nc(n5c4c3)C6CCCCC6)C)C	2051
+C1CCCCC1c2oc(c(C(O)=O)n2)C	1
+C1CC(CCC1)c2sc(N=C=O)nn2	6595
+C1CC(CCC1)c2sc(nn2)N3C(=O)N(C)NC3	2640
+C1CCCCC1n2c(CCCOc3ccc4c(ccc(O)n4)c3)nnn2	72
+C1CCCCC1n2ncc(c2-c3ccc(cc3)F)-c4scc(CC(O)=O)n4	3
+C1CCCCCCCCCC(CCCC1)=C	6596
+C1CC(CCCC1)(Cn2c(C#N)ccc2C)O	6597
+CC(C)(C)OC(C=Cc1ccc(cc1)C(c2ccc(cc2)O)=C3CCCCCC3)=O	233
+c1cc(ccc1C(c2ccc(cc2)-c3cocc3)=C4CCCCCC4)O	1628
+C1CC(CCCC1)CO	647
+c1ccccc1COc2c(cc(cc2)Nc3nc(Cl)nc(n3)NC4CCCCCC4)Cl	387
+C1CCCCCC=2C(=O)N3C(C=C(C(=O)Nc4sc(C)cn4)C=C3)=NC1=2	6598
+C1CCCCCC=2C(=O)N3C(C=C(C(O)=O)C=C3)=NC1=2	127
+C1CCC(CCCC1)=NO	350
+C1CCCCCCC1NC(=O)N2CCN(CC2)c3ccnc4cc(Cl)ccc34	2041
+C1CCCCCCCCCCC1C(C)COCC	3848
+c1ccccc1CCCC2CCCCCCCCCCC2	460
+C1CCC(CCCCCCCCCCC1)CO	3559
+C1CCCN(CC1)CCC2CCCc3n(ncc23)-c4ccccc4	15
+O=S(=O)(C)OCCCCc1ccc(cc1)OCCCN2CCCCCC2	7
+C1CCCCCN1CCN2CCC(CC2)NC(c3[nH]c4cccc(OCc5cocc5)c4c3)=O	81
+C1CCCCN1C(CN2C=3N(C=C2)C(C(OCc4ccccc4)=C(N=3)C(=O)O)=O)=O	127
+c1cc(ccc1-c2occ(CCN3CCCCC3)n2)OCCN4CCCC4C	15
+C1CCCCN1CC2CCCCC2	15
+C1CCCCN1C(C2CCc3c2nc(s3)-c4ccc(cc4)OCCCN5CCCC5C)=O	53
+C1CCCCN1C(CN2C=CN3C(=O)C(=C(c4ncc(o4)Cc5ccc(cc5)F)N=C23)O)=O	3849
+c1cc(ccc1CC(CNC(C2=C(OCc3ccccc3)C(N4C=CN(CC(=O)N5CCCCC5)C4=N2)=O)=O)=O)F	6599
+C1CCCCN1C(=O)CN2C=3N(C(=O)C(OCc4ccccc4)=C(N=3)C(=O)OC)C=C2	3850
+C1CCCCN1C2Cc3cc(ccc3C2)O	5
+C1CCCCN1C2Cc3cc(Oc4ncc(cc4)C(=O)NC)ccc3C2	136
+c1cc(ccc1OC(C)(C)CN2CCCCC2)[N+]([O-])=O	57
+c1cc(ccc1OCCCN2CCCC2C)N3C(CCC3=O)CN4CCCCC4	883
+C1CCCCN1CCC=O	378
+C1CN(CCC1)CCC(=O)N2c3cc[nH]c3CCCC2	2052
+c1ccccc1CN(CCC(C#N)(c2c(cccc2)Cl)CCN3CCCCC3)C(C)C	3851
+C1CCCCN1CCC(N)C#N	2519
+C1CCCCN1CCCCCn2c3c(nc2OC)c(nc(n3)OC(C)CC)N	3852
+C1CN(CCC1)CCCOc2c(cc(Br)cc2)F	72
+c1cc(ccc1Cl)CNC(=O)C2=CN(CCCN3CCCCC3)c4c(cc(C#CCO)cc4)C2=O	6600
+C1CN(CCC1)CCCOc2ccc(cc2)I	72
+c1cc(ccc1OC)Nc2nc3c(cc(C(OCC)=O)nc3)n2CCCN4CCCCC4	3581
+C1CN(CCC1)CCCN2C=CC(=CC2=O)c3cc4nccn4nc3	6601
+C1CCCCN1CCCNC(=S)NNC(c2c(OCC)cc(cc2)[N+]([O-])=O)=O	3853
+C1CN(CCC1)CCCNC(NNC(c2ccc(cc2)NC(=O)c3c(cccc3)F)=O)=S	3853
+C1CCCCN1CCCNc2nnc(-c3c(cc([N+](=O)[O-])cc3)OCC)o2	6602
+c1cnccc1NC(c2cc(Nc3cc(C(NCCCN4CCCCC4)=O)ccc3)ccc2)=O	230
+C1CN(CCC1)CCCNc2c(ccc(n2)NCCCC)[N+](=O)[O-]	70
+c1cc(ccc1OC)Nc2nc3ccc(nc3n2CCCN4CCCCC4)Br	6603
+C1CCCCN1CCCNc2c(ccc(Br)n2)N	13
+C1CN(CCC1)CCCOc2ccc3nc(C(=O)OCC)ccc3c2	126
+C1CCCCN1CCCOc2cc(C#Cc3ccc(cc3)Cl)cc(Sc4ccc(OCC(OCC)=O)c(Cl)c4)c2	126
+C1CCCCN1CCCOc2cc(C#Cc3ccc(cc3)Cl)cc(Sc4cc(Cl)c(OCC(=O)O)cc4)c2	3
+C1CN(CCC1)CCNC(=O)c2ccc(cc2NCC)Cl	14
+FC(F)(F)c1cccc(Oc2cc(ccc2)CNCCN3CCCCC3)c1	42
+C1CN(CCC1)CCNC(c2ccc(Cl)nc2NCC)=O	56
+c1ccccc1-c2ccc(cc2)C(=O)Nc3ccsc3C(NCCN4CCCCC4)=O	227
+C1CN(CCN1c2c(cc(cc2F)OCCN3CCCCC3)F)C(C)=O	20
+C1CCCCN1CCOc2cc(N)c([N+](=O)[O-])cc2F	57
+c1cc(ccc1C)S(=O)(=O)NCCc2c(OCCN3CCCCC3)cccc2	20
+C1CN(CCC1)CCOc2ccccc2CCNS(=O)(=O)c3ccc(cc3)Oc4ccc(cc4)F	126
+C1CN(CCC1)CCOCC(=O)CC(=O)OCCCc2ccccc2	3303
+C1CN(CCC1)CCOc2ccc(cc2F)C(Nc3cc(ccc3-c4nc5ccccc5s4)OC)=O	6604
+C1CCCCN1CCOc2c3ccc(nc3c(cc2)Cl)Cl	532
+C1CCCCN1CCOc2cc(N)c(N)cc2F	0
+c1cc(ccc1)C=CC(=O)Nc2cc(OCCN3CCCCC3)ccc2Cl	324
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)CN6CC(F)(F)CC6	48
+C1CCCCN1N2C(=O)c3c(CC2)n(c(c3C)-c4ccc(cc4)C=CCCC)-c5ccc(Cl)cc5Cl	2053
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)CCCCC	374
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)C=O	1072
+FC(F)(F)CCCS(=O)(=O)Oc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C	444
+O=S(=O)(CC)Oc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C	444
+c1cc(ccc1OS(=O)(=O)c2cnccc2)-n3c(c(nc3-c4c(Cl)cc(cc4)Cl)C(NN5CCCCC5)=O)C	3854
+CC(C)(C)OC(COCc1c(Cl)ccc(c1)S(=O)(=O)N2CCCCC2)=O	337
+C1CN(CCC1)S(=O)(=O)c2ccc(c(COCC(=O)N3CCCC3)c2)Cl	10
+C1CN(CCC1)c2cc(-n3ccnc3)ccc2NC(c4oc(C#N)cc4)=O	1129
+FC(F)(F)c1cccc(c1)COc2ncnc(-c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c2	145
+FC(F)(F)c1cc(ccc1)Nc2cc(ncn2)-c3cc(N4CCCCC4)ccc3[N+](=O)[O-]	73
+FC(F)(F)c1cccc(Oc2cc(ncn2)-c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c1	185
+FC(F)(F)c1cccc(c1)CNc2ncnc(c2)-c3cc(N4CCCCC4)ccc3[N+](=O)[O-]	40
+C1CCCCN1c2c(N)ccc(c2)-n3ccnc3	0
+CC1(C)OB(OC1(C)C)c2cc(N3CCCCC3)ccc2[N+]([O-])=O	17
+C1CN(CCC1)c2ccc(c(C(Nc3ncc(-c4ccc(c(C)c4)C)nc3)=O)c2)N	0
+C1CN(CCC1)c2cc(NC)ccc2[N+](=O)[O-]	60
+C1CCCCN1c2cc(nc(N3CCCC3C)n2)N4CCN(c5c(C)cc(cn5)CO)CC4C	351
+C1CCCCN1c2nc(nc(C(O)=O)c2)-c3ccc(cc3)-c4ccccc4	1
+C1CCCCN1c2cc3c(nc(c(C(=O)N4CCCCC4)c3-c5ccc(cc5)F)C)cc2	211
+c1cc(ccc1F)-c2c3c(ccc(c3)N4CCCCC4)nc(C)c2C(=O)OC	1170
+C1CCCCN1c2ccc(cc2)C3(OC)OC3(C)C	2636
+CC(C)(C)n1nc(cc1-c2ccc(cc2)N3CCCCC3)C(OCC)=O	2054
+c1cc(ccc1C(C(C)(C)N2CCOCC2)=O)N3CCCCC3	1860
+C1CCCCN1c2ccc3c(c2)c(c(c(C)n3)C(Oc4ccccn4)C)-c5ccc(cc5)F	2055
+c1cc(ccc1OCc2c(nc3ccc(cc3c2-c4ccc(cc4)F)N5CCCCC5)C)Cl	20
+C1CN(CCC1)c2nc(cs2)C=O	1348
+C1CN(CCC1)c2nc(-c3ccc(cc3C)C)c(C(CCC)C(=O)OC)c(C)n2	198
+C1CN(CCC1)c2nc(c(c(-c3ccc(cc3)C)n2)C(CCC)C(OC)=O)Cl	198
+C1CCCCN1c2nc(-c3ccc(cc3)C)c(c(CC)n2)C(C(O)=O)CCC	4
+C1CCCCN1c2nc(c(c(n2)CC)C(C(OC)=O)CCC)O	27
+C1CCCCN1c2nc(c(C(CCC)C(=O)OC)c(n2)CC)-c3ccc(cc3)C	198
+C1CCCCN1c2nc(Cl)c(c(C)n2)C(CCC)C(OC)=O	64
+C1CCCCN1c2nc(c(c(Cl)n2)C(C(=O)OC)CCC)CC	64
+C1CCCCN1c2nc(CO)cs2	1171
+C1CCCCN1c2c(c(ncn2)CO)C	88
+C1CCCCCN1C(OC)=N	2641
+C1CCCN(CC1)C(c2csc(c2)C=3CCN(CC=3)C(C)=O)=O	2046
+C1CC(CCN1C(CN2CCCC2)=O)COc3cc4c(c(ncn4)Oc5cc6c(c[nH]c6cc5)C)cc3OC	224
+C1CCCN1CC(=O)N2c3c(SCC2)ccc([N+]([O-])=O)c3	224
+C1COC2(O1)CC(C(N3CCCC3)=O)NCC2	2642
+C1CCCN1CCCN2CCSc3cc([N+](=O)[O-])ccc23	53
+C1CCCN1C2CCc3ccc(cc3CC2)[N+]([O-])=O	85
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)C1)CC#CCN2CCCC2	1469
+c1cc(ccc1)OC(Nc2cc3n(cc(c3cc2)CN4CCCC4)Cc5c(cccc5Cl)Cl)=O	1015
+C1CCN(C1)CC(C(=O)c2cc(no2)-c3ccc(cc3)OC)C	6605
+C1CCCN1C(=O)C(C)(C)CCl	58
+CC(C)(C(N1CCCC1)=O)Sc2cc3sc(N)nc3cc2	10
+CC(C)(C)OC(N1CC(CC(C(=O)N2CCCC2)C1)N(C(c3n(c4c(cccc4)n3)CCCCOC)=O)CC(C)C)=O	10
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(Oc3ccc(N4CCCC4)cn3)ccc2	244
+CC(C)(C)OC(N1CCCC(C(=O)N2CCCC2)C1)=O	10
+CC(C)(C)OC(=O)Nc1nc(CN2CCCC2)ccc1	2019
+CC(C)(C)OC(N1CCN(CC1)C(C)(C)C(=O)N2CCCC2)=O	1857
+CC(C)(C)OC(N1Cc2cc(sc2CC1)CN3CCCC3)=O	6606
+CC(C)(C)OC(N1Cc2c(N3CCCC3)cnn2CC1)=O	6607
+CC(C)(C)OC(=O)NC(C(O)C)C(N1CCCC1)=O	10
+CC(C)(C)OC(Nc1cc(c(cc1[N+]([O-])=O)Cl)N2CCCC2)=O	202
+CC(C)(C)ON=C1C=C(Oc2ccc(OCCN3CCCC3)cc12)c4ncn5c(c4)ccc5	53
+CC(C)(C)[Si](C)(C)Oc1cccc(CN2CCCC2)c1F	48
+C1CCN(C1)C(C)(C)C#N	735
+CC1(C)CCCC(C)(C)N1c2nc(cc(Cl)n2)N3CCCC3	54
+CC1(C)OB(OC1(C)C)c2ccc(c(C#N)c2)N3CCCC3	34
+C1CCN(C1)CC(OCC)=O	303
+CN(C)c1ccnc(c1)CN(C)Cc2nc(cc(c2)O)-c3cc(ccn3)N4CCCC4	264
+C1CCN(C1)C(CC2C(=O)c3c(cc(OC)cc3)C2)=O	10
+C1CCN(C1)c2nc(OC)cc(n2)C(=O)OC	117
+C1CCCN1Cc2sc(cc2)-c3ccc4c(c3)-c5c(c(n(n5)C6CCCCO6)C)C(=O)N4CC	509
+c12c(cccc1)C(=O)N(C2=O)CCCCSc3cc(cc([N+](=O)[O-])c3)NC(N4CCCC4)=O	6608
+C1CCCN1c2cc(N)c(cc2)[N+]([O-])=O	202
+Clc1cc(cc(Cl)c1C(C(N2CCCC2)=O)c3ccc(cc3)Cl)N4N=CC(NC4=O)=O	58
+C1CCCN1c2cc(ncc2)-c3cc(cc(CN(C)Cc4ncccc4)n3)O	264
+C1CCCN1CC(CCCCC)=Cc2c(Cl)cc(Cl)cc2	3855
+C1CCCN1c2ccc(Cl)cc2C=O	34
+C1CCN(C1)c2nc3c(s2)C=Cc4cc(Cl)ccc4C3C5=CN(C(=O)NC5=O)C	2643
+C1CCCN1c2cc(nc(n2)Cl)Cl	54
+C1CCN(C1)c2cc(Cl)nnc2Cl	3760
+FC(F)(F)c1c(ccc(NC(=O)c2ccc(C)c(Br)c2)c1)CN3CCCC3	48
+FC(F)(F)c1cc(cc(c1)NC(CN2CCCC2)=O)C(Nc3cccc(c3)-c4n5c(cc(n5)-c6ccncc6)ncc4)=O	224
+FC(F)(F)c1ccc(c(CN(CC)C(CN2CCCC2)=O)c1)-c3cc(ccc3OC)CC(OCC)=O	224
+FC(F)(F)c1nc(c(C=CC(=O)NCc2cc(F)c(cc2)NS(=O)(=O)C)cc1)N3CCCC3	43
+FC(F)(F)c1nc(C(=O)N2CCCC2)c3CNCCn13	777
+FC(F)(F)c1nn(-c2ccc(cc2)CC(=O)N3CCCC3)c4c1CCCC4	10
+C1CCCN1C2(CCC3(CC2)OCCO3)C#N	735
+C1CCN(C1)CC(N2c3c(Sc4c2cc(cc4)C#N)cc(Cl)cc3)C	123
+C1CCCN1CCC#Cc2ccc(cc2)-c3cn4c(cc(C)cc4)n3	6609
+C1CCN(C1)CC2OCc3c(F)cc(S(=O)(=O)C)cc3O2	28
+O=S(=O)(CCCN1CCCC1)N2CCC(CC2)c3[nH]nc4c(cc(Br)cc34)C(=O)N	53
+C1CCN(C1)CC2CCN(CC2)C(CC3C(=O)NC=CN3S(=O)(=O)c4cc(C)c(Cl)cc4C)=O	123
+C1CCN(C1)c2c(c3c(cc(nc3s2)C)NS(=O)(=O)c4cc(ccc4)Cl)-c5cccc(OC)c5	1801
+C1CCN(C1)C2CCN(c3ccc(Br)cn3)C2	1499
+C1CCCN1c2ccc(S(=O)(=O)C)cc2C(=O)O	202
+C1CCCN1S(=O)(=O)c2cc(cc(Br)c2F)C(O)=O	92
+O=S1(=O)Nc2c3ncccc3c(N4CCCC4)cc2-c5ccccc15	1578
+C1CCN(C1)C(C(C)O)=O	2642
+C1CCN(C1)C(=O)c2ccc3c(c2)Oc4c(cccc4)C3=O	115
+C1CCCN1Cc2cc3ccn(CC#C)c3cc2	48
+C1CCCN1c2c(cnc(Cl)n2)I	54
+C1CCN(C1)c2c(c(C(C)=O)cc(c2C#N)Cl)OCC	560
+C1CCCN1C(=O)c2ccc3c(CCC3)c2OC	30
+C1CCCN1C(c2c3c(n(C)c2)cc([N+](=O)[O-])cc3)=O	211
+C1CCCN1C(=O)Nc2cccc([N+]([O-])=O)c2	326
+C1CCCN1c2nc(Cl)cc(C)c2[N+]([O-])=O	43
+C1CCCN1CC(c2cc(Br)ccc2)=O	676
+C1CCCN1Cc2cc(ccn2)C(OC)=O	1309
+c12c(cccc1)C3(c4c(cccc4)C2C3)CN5CCC(CC5)(O)c6cccnc6N7CCCC7	361
+C1c2ccccc2CC1N3CCCC3	85
+C1CCN(C1)Cc2nc(O)c3c(cc(Br)s3)n2	894
+C1CCCN1CCN2CCc3cc(Br)ccc3C2=O	61
+Cc1cc(cc(C)c1OCCCN2CCCC2)-c3nc(O)c4c(OC)cc(OC)cc4n3	28
+Clc1cc(cc(Cl)n1)N2CCCC2	264
+C1CCN(C1)Cc2cc(-c3nn4c(c(Nc5nc(N6C(CCC6)C)ccc5)c3)ncc4)ccc2	48
+C1CCN(C1)Cc2ccc3cc(ccc3n2)Br	596
+C1CCCN1CC(COc2cc3nccc(Oc4cc(c(cc4)NC(=O)Nc5sccn5)F)c3cc2C#N)O	170
+C1CCCN1c2nc(c3ccc(cc3n2)OC)O	549
+C1CCN(C1)CCCOc2c(cc(Br)cc2)F	53
+C1CCCN1c2nc(ccc2[N+]([O-])=O)Cl	43
+C1CCCN1C(Nc2cc(ncn2)Oc3ccc(cc3F)[N+]([O-])=O)=O	3856
+c1cc(ccc1)CCC2=CC(N(CCc3ccc(cc3)CN4CCCC4)C=C2)=O	131
+c1cc(ccc1)COc2c(C)c(c(nc2C)N3CCCC3)C	323
+C1CCN(C1)c2c(Cc3ccccc3)c(Cl)nc(n2)SC	54
+c1cc(ccc1)N2N=C(CC(=O)N3CCCC3)c4c(n(c5ccccc45)C)C2=O	10
+c1cc(ccc1)N2N(C(=C(C(OC)=O)C2=O)CN3CCCC3)C	2644
+C1CCN(C1)c2ccc(cc2)-c3c(ncn3-c4ccc(cc4)S(=O)(=O)C)Cl	34
+c1cc(ccc1N2CCCC2)-c3ccccc3	79
+C1CCCN1CC(Nc2ccc(cc2)Br)=O	224
+C1CCCN1C(=O)COc2ccc(cc2)Br	10
+C1CCN(C1)C(c2ccc(cc2)C3(SC(=NC(c4ccc(cc4)F)C)NC3=O)C)=O	115
+C1CCCN1c2ccc(cc2)C(=O)Cc3c(ccc(-c4sccc4)c3)OC	34
+C1CCN(C1)C(=O)c2ccc(cc2)I	30
+C1CCN(C1)Cc2ccc(cc2)C3(CC3)C#N	48
+C1CCCN1CCOc2ccc(cc2)CC3=C(C(Oc4c(c(ccc34)O)I)=O)c5c(Cl)cc(Cl)cc5	28
+C1CCN(C1)CCc2ccc(cc2)Br	236
+c1cc(ccc1COc2c(cc3N(C=C(C(=O)c3c2Cl)CN4CCCC4)CC)OCc5ccc(cc5)OC)OC	6610
+c1cc(ccc1[N+]([O-])=O)Cc2nc(C)c(CC(OC)=O)c(n2)N3CCCC3	54
+c1cc(ccc1Cl)Cn2c3ccccc3nc2CN4CCCC4	894
+C1CCN(C1)Cc2ccc(cc2)NC(=O)c3ccc(Cc4cc(cc5c4oc(C(C)C)c5)Cl)o3	48
+c1cc(ccc1Nc2ncnc(c2N)N3CCCC3)Cl	54
+C1CCN(C1)C(=O)c2ccc(cc2)Nc3nc(-c4cn[nH]c4-c5cc(ccc5)OCc6ccccc6)ccn3	30
+C1CCCN1C(=O)Cc2nc(oc2)-c3ccc(cc3)OCCCCl	10
+C1CCN(C1)CCCOc2ccc(cc2)Cc3c(NCCCCC)nc(N)nc3C	53
+c1cc(ccc1OCc2ccccn2)-c3nc(CCN4CCCC4)c(C)o3	123
+O=S(=O)(c1cc(nc(c1)N2CCCC2)Br)c3ccc(cc3)N	323
+C1CCCN1Cc2ccc(Br)cn2	315
+C1CCCN1c2ncc(cc2)Br	43
+C1CCN(C1)C2C(Cc3cc(c(cc3)Cl)Cl)c4cc(OC)ccc4CC2	85
+C1CCN(C1)c2nc3n(c(C)c(c3cn2)C(=O)NCc4c(cc(nc4O)C)C)C(C)c5ccccc5	117
+C1CCCN1CCCCc2c3c(n(c2C)COCc4ccccc4)c(nc(n3)CCCC)N	61
+c1ccccc1CON2C(=O)N(c3c(F)cc(cc3)F)c4c(cc(c(c4)N5CCCC5)F)C2=O	34
+C1CCN(C1)c2c(cc3c(N(C(N(OCc4ccccc4)C3=O)=O)CCF)c2)F	34
+c1ccccc1CON2C(=O)N(c3ccc(cc3F)F)c4c(cc(F)c(n4)N5CCCC5)C2=O	43
+C1CCN(C1)c2c3cc(c(cc3nc(c2)C)OCc4ccccc4)Br	264
+c1ccccc1COc2ccc3c(nc(C)cc3N4CCCC4)c2	264
+C1CCN(C1)CC=Cc2cc3c(c(Nc4cc(c(Sc5n(C)ccn5)cc4)Cl)c(cn3)C#N)cc2	3857
+C1CCN(C1)c2nn3c(cc(Br)cc3)n2	3858
+C1CCN(C1)c2c(c(nc(Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)n2)Cl)CC(OC)=O	54
+C1CCN(C1)c2ccc(cc2-c3nc(O)c4nccnc4n3)Br	34
+C1CCN(C1)c2nncc(c2)O	212
+C1CCCN1C(=O)C(C(O)C)NC(CN2CC3(CCCN3)C2=O)=O	679
+C1CCN(C1)CC(C)(C)CCl	15
+C1CCCN1C(=O)C(C(O)C)NC(CN2C(=O)C3(C2)CCCN3C(OCc4ccccc4)=O)=O	207
+c1cc(ccc1-c2cnc(nc2)N)OCC(N3CCCC3)=O	1629
+C1CCCN1C(=O)Cc2ccc(c(OC)c2)N	0
+C1CCN(C1)CCc2cc(c(cc2)N)OC	15
+C1CCCN1C(=O)Cc2nc(oc2)-c3ccc(cc3)OCCCN4CCCC4C	53
+C1CCN(C1)CCc2coc(-c3ccc(cc3)OCCCN4CCCC4C)n2	15
+C1CCCN1C(=O)Nc2ccc(cn2)N	13
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnc(cc2)NC(N3CCCC3)=O)F)CCC	660
+C1CCCN1C(Nc2cc(N)ccc2)=O	0
+C1CCN(C1)C(c2cscc2)C(=O)Nc3cc4c([nH]nc4I)cc3	33
+C1CCCN1C(C2CCCN(c3ccc4[nH]c(C5(CC5)c6cccnc6)nc4n3)C2)=O	3859
+C1CCCN1C(C2CCCN(c3ccc4c(n3)[nH]c(C(C)(C)n5ncc(Cl)c5)n4)C2)=O	3725
+FC(F)(F)c1nc(ccc1)-c2nc3ccc(N4CC(CCC4)C(N5CCCC5)=O)nc3[nH]2	3584
+C1CCCN1C(C2CN(c3ccc([N+](=O)[O-])c(n3)N)CCC2)=O	43
+C1CCCN1C(C2CCCN(C2)c3ccc(c(n3)N)N)=O	13
+C1CCCN1CCC2C(c3c(cc(cc3)OC)C2)O	15
+C1CCCN1CCc2cc(N)n(CC)n2	15
+C1CCN(C1)c2ccc(cc2C#N)-c3ccnc(n3)Nc4cc(NC(=O)N5CCCC5)ccc4	55
+c1ccccc1N2N(C(=C(C(=O)Nc3ccc(Oc4ncnc(NC(=O)N5CCCC5)c4)c(F)c3)C2=O)C)CC(C)(C)O	1349
+C1CCCN1C(Nc2cc(ncn2)Oc3c(cc(N)cc3)F)=O	0
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)-n3cc(C(N4CCCC4)=O)cn3	568
+C1CC2(OCCO2)CCC1(Cc3ccccc3)N4CCCC4	6611
+CC(C)(C)OC(=O)NCCOc1ccc2c(c1)C(C(N3CCCC3)CC2)Cc4cc(c(cc4)Cl)Cl	8
+C1CCCN1C2CCc3cc(N)ccc3CC2	0
+C1CCCN1C2Cc3c(ccc(Oc4ncc(nc4)C(=O)O)c3)C2	1
+C1CCCN1C2Cc3c(ccc(c3)Oc4cnc(cn4)C(NC)=O)C2	312
+C1CCCN1C2Cc3c(ccc(Oc4ncc(C(OC)=O)nc4)c3)C2	842
+C1CCCN1CCN2CCSc3c2cc([N+](=O)[O-])cc3	15
+c1cc(ccc1Br)NCCN2CCCC2	15
+C1CCCN1CC(OC(=O)C)COc2cc3ncnc(O)c3cc2OC	152
+C1CCCN1CC(OC(=O)C)COc2cc3ncnc(Cl)c3cc2OC	569
+C1CCN(C1)CC(NC)c2cccc(Br)c2	1607
+C1CCCN1CCC2C(=O)c3ccc(OC)cc3C2	155
+C1CCCN1CCCN2c3c(SCC2)cc(cc3)N	0
+C1CCCN1CCCN2CCSc3c2ccc(c3)NC(=N)c4sccc4	1139
+C1CCN(C1)CCCOc2ccc(Br)cn2	430
+C1CCCN1CCN2C(c3c(C)c([nH]c3CC2)C=C4c5cc(OC)ccc5NC4=O)=O	292
+C1CCCN1CCN2C(c3c(C)c(C=O)[nH]c3CC2)=O	413
+C1CCCN1CCN2C(c3ccc(-c4c(F)cc(cc4)C(OC)=O)cc3CC2)=O	11
+C1CCN(C1)CCN2C(=O)N(C)c3c2ccc(Br)c3	620
+C1CCN(C1)CCN(C)CCSC2CCC3(C)C(CCC4C5(CCC(c6ccoc6)C5(CCC34)C)O)C2	236
+O=S(=O)(c1ccc2NC(=O)C(c2c1)=Cc3c(C)c(C(=O)NCCN4CCCC4)c(C)[nH]3)Nc5cnccc5	292
+c1ccccc1-c2cc3C(=Cc4c(C)c(C(=O)NCCN5CCCC5)c(C)[nH]4)C(=O)Nc3cc2	292
+C1CCCN1CCN2CCc3c(C2=O)c(C)c[nH]3	1858
+C1CCCN1CCNc2ccc(cc2N)Br	0
+CC1(C)C(C)(C)OB(O1)c2cc(cc(c2)F)NCCN3CCCC3	17
+C1CCCN1CCN2c3ccc(cc3NC2=O)Br	1019
+c1c(C)nc(cc1-c2nc(c3c(OC)cc(cc3n2)OCCN4CCCC4)O)C	724
+C1CCN(C1)CCOc2cc3cc([N+](=O)[O-])cnc3cc2	126
+C1CCN(C1)CCOc2nc(nc(Cl)c2)-c3cnc4n3cc(F)cc4	145
+C1CCCN1CCSc2cccc(c2)Nc3nnc4c(c(cc(c4)-c5c(ccc(OC)c5)Cl)C)n3	490
+C1CCCN1CCSc2cccc(c2)Nc3nnc4c(c(cc(c4)-c5c(Cl)ccc(O)c5)C)n3	5
+C1CCCN1CCc2c3c([nH]c2)ccc(c3)NC(=N)c4sccc4	1139
+C1CCCN1CCc2cc(C=O)[nH]c2	178
+C1CCCN1CCc2c[nH]c(CO)c2	194
+C1CCCN1CCc2c3c([nH]c2)ccc(N)c3	3860
+C1CCN(C1)CCc2cc(n(CC)n2)Nc3cc(Nc4c(cccc4)C(=O)NC)c(Cl)cn3	346
+C1CCCN1CCn2cc(-c3cc4nccc(Oc5ccc(N)cc5F)c4s3)nn2	0
+C1CCN(C1)CC2NCCC(C(=O)OC)C2	3861
+C1CCCN1Cc2cc3ccn(CC#Cc4ncc(Br)cc4)c3cc2	769
+C1CCN(C1)Cc2ccc3c(ccn3CC#Cc4ncc(cc4)-c5ccc(cc5)Cl)c2	2056
+c1cc(ccc1)-c2nc(C(=O)Nc3ccccc3-c4sc5ncc(cc5n4)CN6CCCC6)sc2	6612
+C1CCCN1Cc2cc3c(sc(-c4c(NC(c5c(C)oc(-c6ccccc6)n5)=O)cccc4)n3)nc2	3862
+FC(F)(F)Sc1ccc(cc1)N2C(=O)N(Cc3ccnc(Nc4cnc(CN5CCCC5)cc4)c3)C(C)(C)C2=O	2645
+C1CCCN1Cc2cc3nc(-c4c(cccc4)N)sc3nc2	0
+C1CCCN1Cc2sc(cc2)-c3ccc4c(c3)-c5n[nH]c(c5C(N4CC)=O)C	747
+O=S(=O)(N1CCCC1)Nc2c(c(C(c3c4c(ncc(F)c4I)[nH]c3)=O)c(cc2)F)F	1630
+C1CCCN1c2c(c(nc(n2)Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)C)CC(O)=O	4
+C1CCN(C1)c2cccc3c(cccc23)O	5
+C1CCCN1c2cc(nc3cc(OCC(OCC)=O)ccc23)C	52
+c1cc(ccc1C)S(=O)(=O)OCCOc2ccc3c(nc(C)cc3N4CCCC4)c2	36
+c1ccccc1C(=O)Nc2c([N+](=O)[O-])ccc(N3CCCC3)c2	50
+C1CCCN1c2ccc(N)c(c2)[N+](=O)[O-]	106
+C1CCCN1c2cc(C)nc3cc(OCCO)ccc23	44
+C1CCN(C1)c2cc(SC)c(cc2)C#N	972
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cc(ccc2N3CCCC3)Cl	48
+CC(C)(C)OC(Nc1ccc(N2CCCC2)cc1[N+]([O-])=O)=O	150
+n1c(OC)cc(nc1Oc2c(C(=O)OC)nc(cc2)N3CCCC3)OC	3863
+O=S(=O)(NCC1CC1)c2ccc(N3CCCC3)c(c2)C(O)=O	6613
+C1CCN(C1)c2cc(C=C3NC(NC3=O)=O)c([N+]([O-])=O)cc2	3864
+C1CCCN1c2cc([N+](=O)[O-])c(NC(C)=O)cc2	77
+C[Si](C)(C)C#Cc1nc(N2CCCC2)ccc1	961
+C1CCCN1c2ccccc2CC(N3CC4C(C3)CC(CC4(O)c5ccccc5F)COS(=O)(=O)c6ccc(cc6)C)=O	36
+FC(F)(F)c1nc2n(c1C)nc(C#Cc3nn(C)c(N4CCCC4)n3)cc2	2353
+C1CCCN1c2ccc(O)c(C(=O)OC)n2	321
+C1CCN(C1)c2nc(N3CCc4ncccc4C3)cc(C)c2[N+](=O)[O-]	43
+CCN(CC)c1nc(cc(NCCN)n1)N2CCCC2	40
+C1CCN(C1)c2nc(N3CCCC3)c4c(n(CCO)c5ccccc45)n2	6614
+C1CCCN1c2nc3c(c(Cl)n2)ccc(OC)c3	64
+C1CCCN1c2nc(ccc2[N+]([O-])=O)NCc3ccc4OCOc4c3	70
+C1CCCN1c2nc(ccc2[N+]([O-])=O)NCc3ccc(cc3)F	70
+c1cc(ccc1CNc2ccc(N)c(n2)N3CCCC3)F	13
+CC(C)(C)CC(Nc1c(N2CCCC2)nc(cc1)NCc3ccc4OCOc4c3)=O	3865
+C1CCN(C1)c2ncc(-c3cc(ccc3)NC(Nc4ccc(cc4)Cl)=O)cc2	89
+C1CN(CCO1)C(c2c(n(C)nc2)C(=O)Nc3cc4n(nc(N5CCCC5)n4)cc3)=O	1020
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)O)n2	6
+CC(C)(C)OC(N1CCC(c2cc(cs2)C(N3CCCCCC3)=O)=CC1)=O	3866
+C1CN(CCCC1)Cc2cc(cs2)-c3cc4c(c(c3)C(=O)N)[nH]cc4C5CC(C)(C)S(=O)(=O)CC5	509
+C1CCCN(CC1)C#N	739
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3CCCCCC3	28
+C1CCCCCN1C(=O)CC2CCCc3n(ncc23)-c4ccccc4	10
+c1cc(ccc1)-c2nc(C)c(C(CCC)C(=O)OC)c(n2)N3CCCCCC3	54
+c1cc(ccc1)-n2c3c(cccc3)c(C=O)c2N4CCCCCC4	2646
+c1cc(ccc1)COC(=O)N2CCCCC(N)C2	613
+n1c(N2CCCCNCC2)oc3c1cc(C)cc3C	2647
+FC(F)(F)Oc1ccc(cc1)-c2n(CC3OCCCC3)c(C)c(C(NN4CCCCC4)=O)n2	541
+C1CCCOC1CCO	237
+O=S(=O)(C)OCCC1CCCCO1	7
+C1CCCOC1CCN2c3c(c(nc(n3)NCCCC)N)NC2=O	1604
+c1cc(ccc1-c2n3c(ccn3)nc4CCCCCc24)OCc5ccccc5	2057
+c12ccccc1CCCC=C2C	252
+C(OC(=O)Cn1ncc(-c2cccc3N(C(=O)CCCO)CCCc23)c1)C	320
+FC(F)(F)c1nc(nc(C2=NOC(N2C(N3CCCC3)=O)=O)c1)C(C)C	6615
+FC(F)(F)c1nn(c2CCOCc12)-c3ccc(cc3)C(=O)N4CCCC4	568
+C1CCN(C1)Cc2ccc(cc2)Nc3nc(-c4cn[nH]c4-c5cc(ccc5)OCc6ccccc6)ccn3	162
+CC(C)(C)[Si](C)(C)OC(C(N1CCCC1)=O)C	1952
+CC(C)(C(c1ccccc1)N)N2CCCC2	3867
+C1CCCN1C(CC2C(O)c3c(cc(cc3)OC)C2)=O	74
+c1ccccc1-c2c(c3c(nn(CC(N4CCCC4)=O)c3nn2)I)Cl	3456
+C1COCCC1N(C)c2ccc(cc2)-c3n[nH]c4c3cc(cc4)NC(=O)C(c5cscc5)N6CCCC6	1016
+c1cc(ccc1C(CC2CSCCC2=O)=O)Cl	6616
+C1CCCN1C2CCc3ccc(cc3C2Cc4cc(c(cc4)Cl)Cl)O	5
+C1CCN(C1)C2CCCC3C2N(CCN3Cc4cnc[nH]4)C(Cc5ccc(c(c5)Cl)Cl)=O	879
+C1CCN(C1)C2CCN(c3ccc(cn3)N4C(=O)C=C(OCc5ccc(cn5)Cl)C=C4)C2	3868
+C1CCCN1C2Cc3cc(N)ccc3C2	0
+C1CCN(C1)CC#Cc2cc3-c4nn(C5CCCCO5)c(c4C(=O)N(c3cc2)CC)C	121
+C1CCN(C1)CC#Cc2ccc3c(-c4c(c(C)n[nH]4)C(=O)N3CC)c2	747
+C1CCCN1CCCc2ccc3N(CC)C(=O)c4c(C)[nH]nc4-c3c2	213
+C1CCN(C1)CC(N2c3cc(ccc3Sc4cc(Cl)ccc24)C(N)=S)C	1855
+C1CCN(C1)CC(N(C(=O)CN(C)c2ccc(c(c2)Cl)Cl)C)c3cccc(Br)c3	10
+C1CCN(C1)CC(OCCN(C)C)=O	6617
+C1CCN(C1)CCC(Nc2nc3c(cc(cc3)Sc4n5cccnc5nc4)s2)=O	373
+C1CCN(C1)CCCN2c3nc(ccc3C(N(c4ccccc24)C)=O)C	6618
+c1cc(ccc1OCCCN2CCCC2)-n3c(cc(n3)CC)CC	72
+c1cc(ccc1OCCCN2CCCC2)-c3c4ccccc4nc5CCCCc35	72
+c1cc(ccc1OCCCN2CCCC2)-n3c4ccccc4cc3CCOC	72
+C1CCCN1CCCNC(=O)c2c(c3c(C4c5ccccc5NC4=O)ncnn3c2)C	56
+OB(O)c1ccc(OCCCN2CCCC2)c(F)c1	422
+C1CCN(C1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4c(cc(cc4)[N+]([O-])=O)F	242
+C1CCN(C1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4c(cc(cc4)N)F	0
+C1CCN(C1)CCCOc2cc3c(cc2OC)c(ccn3)Cl	120
+CC1(C)OB(OC1(C)C)c2cnc(cc2)OCCCN3CCCC3	3869
+C1CCN(C1)CCCOc2ccc(c(OCCF)c2)N3C(c4cc(C(=O)OC)ccc4N=C3C)=O	3870
+C1CCN(C1)CCCOc2ccc(c(OCCF)c2)N3C(=O)c4cc(C(OCC)=O)ccc4N=C3C	807
+C1CN(CCN1CC2(CCOCC2)c3ccc(cc3)OCCCN4CCCC4)C	61
+O=S(=O)(C1C(C2(CCOCC2)c3ccc(cc3)OCCCN4CCCC4)OC=N1)c5ccc(cc5)C	6619
+c1cc(ccc1C2(CCOCC2)c3cnco3)OCCCN4CCCC4	6620
+CC(C)(C)OC(N1CCC(CC1)COCCN2CCCC2)=O	649
+C1CCCN1CCn2ncc3c2ccc(N4C=Cc5oc(-c6cccc(Cl)c6)cc5C4=O)c3	2058
+C1CCN(C1)CCOc2c(cc([N+](=O)[O-])cc2)Cl	72
+C1CCCN1CCSc2cccc(Br)c2	1107
+C1CCN(C1)CCOc2ccc(Br)cc2C=O	72
+C1CCCN1CCNc2cc(F)cc(Br)c2	1350
+C1CCN(C1)CCOc2ccc(cc2)I	72
+C1CCN(C1)CCOc2ccc(cc2)[N+]([O-])=O	72
+C1CCN(C1)CCOc2cc(ccc2)C(OC)=O	72
+C1CCCN1CCNc2nccc(Oc3ccc4c(C(NCCN5CCOCC5)=O)cccc4c3)n2	96
+C1CCN(C1)CCNCc2cncc(-c3n(C)c4c(ccc(c4)Cl)c3C#N)c2	249
+C1COC2(O1)CCC(CC2)NCCN3CCCC3	87
+C1CCCN1CCNC(=O)c2c(c(C=C3c4cc(F)ccc4NC3=O)[nH]c2C)C	56
+C1CCCN1CCNCCc2c(C(OCC)=O)c(C)c[nH]2	15
+C1CCN(C1)CCOc2c(CN)cc(cc2)Br	18
+C1CCN(C1)CCOc2ccc(Br)cc2CCl	109
+c1cc(ccc1-c2cc([nH]c2)C(=O)Nc3ccc(OCCN4CCCC4)c(c3)Cl)Cl	187
+C1CCN(C1)CCOc2c(Cl)cc(N)cc2	0
+C1CC(CCN1c2c3c([nH]cc3C)ncn2)NC(=O)c4cc(OCCN5CCCC5)ccc4	14
+C1CCN(C1)CCOc2cc(C(=O)O)ccc2	1
+C1CCN(C1)CCOc2ccc3ncc(N)cc3c2	13
+C1CCN(C1)CCOc2c(CO)cc(Br)cc2	41
+C1CCN(C1)CCOc2c(CN=[N+]=[N-])cc(cc2)Br	1298
+C[Si](C)(C)C#Cc1ccc(cc1)OCCN2CCCC2	311
+c1cc(ccc1OCCN2CCCC2)N	0
+C1CCN(C1)CCOc2nc(OC)c(NS(=O)(=O)c3ccc(cc3)CCCF)cc2	322
+CC(C)(C)OC(N1CCCC(Nc2nc(nc(OCCN3CCCC3)c2)-c4cnc5n4cc(F)cc5)C1)=O	40
+C1CCN(C1)CCc2ccc(N)c(C(O)=O)c2	1
+C1CCN(C1)CCc2cc(c(N)cc2)C(OC)=O	0
+C1CCN(C1)CCc2ccc(N)c(c2)C(=O)N	169
+C1CCN(C1)CCc2ccc3nc(nc(c3c2)O)-c4cc(C)nc(C)c4	748
+C1CN(CCN1c2c(C)cc(N)cc2CN3CCCC3)C	0
+C1CCN(C1)Cc2ccc(cc2)C3(CC3)C(O)=O	459
+C1CCN(C1)CC2Nc3ccc(cc3CC2)Br	2648
+CC(C)(C)OC(n1cc(-c2sc3c(nc(nc3O)CN4CCCC4)c2)c(C)n1)=O	6621
+c1cccn1-c2c(cc(cc2OCC)CN3CCC(CC3)Nc4nc5cccc(S(=O)(=O)N6CCCC6)c5o4)OCC	48
+O=S(=O)(C)c1nc(c(c(N2CCCC2)n1)Cc3ccccc3)Cl	737
+C1CCN(C1)c2c(c(cc(c2OCC)C(O)C)Cl)C#N	74
+C1CCCN1c2c(OCC)c(cc(Cl)c2C#N)C(n3c4ncnc(N)c4c(C)n3)C	2649
+C1CCN(C1)c2c(c(C(C)Cl)cc(Cl)c2C#N)OCC	525
+C1CCN(C1)c2nc(nc(Cl)c2CC(=O)O)Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O	4
+C1CCN(C1)c2cc3N(C(N(C(=O)c3cc2F)O)=O)CCF	2650
+C1CCN(C1)c2cc(nc3cc(O)c(Br)cc23)C	16
+C1CCCN1c2cc3cc4c(NC(N4)=O)nc3cc2	6622
+C1CCN(C1)c2cc(Cl)c(C(Nc3c(C=NC(C)CO)cccc3)=O)cc2	853
+C1CCN(C1)c2ccc(c(c2)Cl)C(=O)Nc3c(cccc3)CNC(CO)C	1172
+C1CCN(C1)c2cc(c(C(=O)N3CC(=O)N(Cc4c3cccc4)CCO)cc2)Cl	21
+C1CCN(C1)c2cc(NN)nnc2Cl	599
+C1CCN(C1)c2cc(nnc2Cl)NN=Cc3ccccc3	878
+C1CCN(C1)c2cc(c(C(N)=S)cc2)SC	6623
+C1CCN(C1)c2cc(c(C(=O)N3c4ccccc4CN(CCN5C(=O)c6c(C5=O)cccc6)C(C3)=O)cc2)Cl	332
+C1CCN(C1)c2cc(c(cc2)C(N3CC(N(CCN)Cc4c3cccc4)=O)=O)Cl	45
+C1CCN(C1)c2cc(c(cc2)C(=O)N3CC(=O)N(CCNC(=O)c4ccccc4)Cc5c3cccc5)Cl	93
+C1CCN(C1)c2c(nc(C(=O)N3CCSCC3)cc2)OCC4CC4	147
+CC(C)(C)OC(N(Cc1ccccc1NC(=O)c2ccc(N3CCCC3)cc2Cl)C(CO)C)=O	23
+CC(C)(C)[Si](C)(C)OCC(C)NCc1ccccc1NC(=O)c2c(cc(cc2)N3CCCC3)Cl	19
+c1cc(ccc1-n2c(-c3ccc(c(c3)Cl)N4CCCC4)c(nc2)Cl)S(=O)(=O)C	196
+C1CCN(C1)c2ccc(Br)cc2-c3nc4nccnc4c(Nc5ccncc5C)n3	3871
+C1CCCN1c2ccccc2CC(N3CC4C(CC(CO)CC4(c5c(cccc5)F)O)C3)=O	10
+C1CN(CCC1=Cc2cc(Oc3ccc(N4CCCC4)cn3)ccc2)C(=O)Nc5nnccc5	437
+C1CCN(C1)c2nc(n(C)n2)C#Cc3cc(OC)c4nc(C)c(n4n3)C	3872
+c1cc(ccc1N)S(=O)(=O)c2cc(CC)nc(c2)N3CCCC3	2651
+O=S(=O)(C)OCCn1c2nc(nc(c2c3ccccc13)N4CCCC4)N5CCCC5	7
+C1CCN(C1)c2nc(N3CCCC3)nc(N4CCN(CC4)CCCOc5c6c(ccc5)[nH]c(c6)C#N)c2	331
+C1CCN(C1)c2nc(N3CCc4ncccc4C3)cc(C)c2NC(=O)Cc5cc(F)cc(c5)F	3865
+FC(F)(F)Oc1c(cc(cc1)C(NC(=O)c2nc(nc(OC)c2)N3CCCC3)COC)F	81
+C1CCN(C1)c2nc(OC)cc(C(O)=O)n2	1
+C1CCCN1c2nc(C#Cc3ccc4n(c(C)c(C)n4)n3)ccc2	2353
+C1CCN(C1)c2nc3c(s2)C=Cc4cc(ccc4C3C5=CN(C)C(=O)NC5=S)Cl	3873
+CC(C)(C)OC(Nc1ccn2nc(nc2c1)N3CCCC3)=O	2652
+c1(cc(ncn1)N2CCOCCC2)NN	1021
+C1CC2N(c3c(cc(cn3)C(=O)OC)NC2=O)CC1	1530
+CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c2c(F)cc(Oc3c(cc(cc3)Cl)-c4cc(CN5CCC5)ncc4)c(F)c2	315
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(Br)cn2CCN3CCC3	123
+CC(C)(C)OC(=O)Nc1cc(ccc1)C(N2CCC2)=O	30
+CC(C)(C)OC(N1CCC(CC1)C(N2CCC2)=O)=O	10
+CC(C)(C)OC(NC(C(N1CCC1)=O)C(C)C)=O	10
+CC1(C)C(C)(C)OB(O1)c2cc(CN3CCC3)sc2	509
+C1CCN1C(=O)NCc2c(nccn2)Cl	6624
+C1CCN1c2c3c(nc(Cl)n2)nc(c(Cl)n3)Cl	1310
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4nc(CC(F)(F)F)cn4CCN5CCC5	123
+FC(F)(F)c1ccc(cc1)-c2c3c(cc(cc3)C#CCCCN4CCC4)sn2	123
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(c(OC)c3)C=4NOC(=O)N=4)c(n2)CCCN5CCC5	123
+C1N(CC1)C(c2ccc(c(c2)F)F)=O	30
+c1(F)cc(cc(F)c1CC(=O)N2CCC2)OCCC3C(C4CCN(CC4)c5ncc(cn5)OCC)C3	10
+C1CCN1c2ncc(cc2Cl)Oc3ccc(cc3C#N)S(=O)(=O)Nc4ncc(cc4)F	361
+C1CCN1CC2CC(C2)n3cc(c4c3ncnc4N)I	236
+C1CCN1C(=O)c2cc3c(s2)c(ccn3)Cl	867
+C1CCN1C(c2cc(c3OC(=CC(=O)c3c2)N4CCOCC4)C5CCCN5c6cc(F)cc(F)c6)=O	1997
+C1N(CC1)CCCCCn2c(nc3c(nc(nc23)OCCCC)N)OC	53
+C1CCN1C(c2c(n(C)nc2)C(=O)Nc3cc4nc(nn4cc3)-c5cccc(c5)OC)=O	1020
+C1CCN1C(c2c3c(C)cccc3c(Cl)nc2)=O	211
+c1c(F)c(c(cc1O)F)CC(=O)N2CCC2	10
+C1N(CC1)c2c3c(ccc([N+]([O-])=O)c3)nc(CCC)c2	264
+C1CN(CCN1C(c2ccccc2)=O)CC(=O)N3CCC3	10
+C1CCN1C(Cc2ccc(cc2)Br)=O	10
+C1N(CC1)C(=O)c2ccc(cc2)C(OC)=O	115
+C1CCN1C(=O)c2ccc(cc2)I	30
+C1CCN1C(=O)Cc2ccc(cc2)OCCC3C(C4CCN(CC4)c5onc(C(C)C)n5)C3	10
+C1CCN1c2ncc(S(=O)(=O)N3CCC=4C(Cc5c(n(nc5)-c6ccc(cc6)F)C=4)(COCC)C3)cc2	43
+c1ccccc1C(c2ccccc2)N3CC(C3)C(=O)N4CCC4	10
+c1ccccc1COc2ccc(CC(N3CCC3)=O)c(c2)C#N	10
+C1CCN1C(Oc2ccccc2)=O	66
+c1(F)cc(cc(F)c1CC(=O)N2CCC2)OCCC3C(C4CCN(CC4)c5ncc(cn5)COC)C3	10
+C1CCN1c2nn(c(n2)C=Cc3nn4c(C)cc(C)nc4n3)C	3520
+c1cc(ccc1CC(=O)N2CCC2)-c3c(cc4c(c(C=O)c[nH]4)c3)Cl	749
+C1CCN1c2n3ccnc(Cl)c3cn2	6625
+C1CCN1C(=O)c2cc(c(Oc3cc(OC(CO)C)cc(C(O)=O)c3)cc2)F	1
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(Oc2ccc(cc2F)C(=O)N3CCC3)cc(C(O)=O)c1)C	19
+C1CCN1C(c2sc3c(Oc4ccc5c(C(NC)=O)c(n(c5c4)CC)C)ccnc3c2)=O	680
+FC(F)(F)c1nn(-c2ccc(cc2)C(N3CCC3)=O)c4CN(CCc14)C	568
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(C(Nc4cnc(cn4)C)=O)cc(OC5COCC5)c3	1351
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(OC4CCOC4)cc(C(O)=O)c3	1
+C1CCN1C(=O)Cc2ccc(cc2)B3OCC(CO3)(C)C	734
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCOc4ccc(CC(N5CCC5)=O)c(C#N)c4)C3	126
+C1N(CC1)C=2SC3C(N=2)C(O)C(C(COC(=O)C)O3)OC(C)=O	59
+C1C(CC1n2c3c(c(c2)-c4ccc5ccc(nc5c4)-c6ccccc6)c(ncn3)N)CN7CCC7	3874
+CC(C)Oc1ncc(OCc2c(cc(C(=O)NS(=O)(=O)N3CCC3)c(c2)F)F)cc1Cl	258
+O=S(=O)(NC(=O)c1cc(c(COc2cc(c(cc2)Cl)Cl)cc1F)Cl)N3CCC3	258
+c1cc(ccc1)CNc2c(Cl)nc3c(nc(Cl)nc3N4CCC4)n2	464
+FC(F)(F)c1c(c(-c2nc(sc2)NC(=O)c3ccc(cc3)Nc4ncnc(N5CCC5)c4)ccc1)F	3875
+C1CCN1c2cc(ncn2)Nc3ccc(cc3)C(=O)OC	128
+C1N(CC1)c2nc(n(n2)C)CCc3nc4n(n3)c(cc(n4)C)C	6626
+C(OC(=O)NC1C=2N(C(=O)C=C(N=2)c3ccncn3)CCCC1)C	101
+C1CCC2(CCCN1C2)C(=O)N	327
+C1CCN2CCCC1(CNC(=O)c3c4c([nH]c3)cccc4)C2	56
+FC(F)(F)c1ccc(cc1)NS(=O)(=O)c2cccc(C(=O)N3CCN4CCCCC4C3)c2	30
+CC(C)(C)[Si](C)(C)OCC1CCCCN1	19
+C[Si](C)(C)CCOCn1c2c(c3c(ccnc13)OCC4CCCCN4)cc(C#N)nc2	3876
+Cc1cc(cc(C)c1S(=O)(=O)N2CCCCC2CO)OC	92
+CC(C)(C)C(=O)Nc1c(C(OC)=O)c([N+](=O)[O-])c(N2CCCC2=O)cc1	654
+CC(C)(C)OC(=O)N1c2cc(ncc2C(C)(C)C1)N3C(CCC3)=O	6627
+CC(C)(C)OC(=O)N1CCc2c(CC1)cc(Oc3ccc(cn3)N4C(CCC4)=O)cc2	3219
+CC(C)(C)OC(=O)N1C(=O)CCC1	3877
+CC(C)OCCCn1c(nc2cnc3c(ccc(c3)N4CCCC4=O)c12)COCC	2653
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CN3CCCC3=O)cc1)Br)CC	806
+c1c(cc(cc1)-c2nc(-c3cnccc3)no2)N4C(=O)CCC4	654
+n1c(c(Cl)ncc1)N2CCCC2=O	3613
+c1c(C)ccc(n1)N2CCCC2=O	3878
+N1(CCCC1=O)CCc2ccc(Br)nc2	638
+c1c(C(=O)O)cc(cc1[N+]([O-])=O)N2CCCC2=O	654
+c1(nc2c(c(Cl)c1)cc(cc2)N3CCCC3=O)C	883
+C1CC(CCN1c2nc(CN3CCCC3=O)nc4c2c(cs4)-c5ccccc5)CO	6628
+c1ccccc1CSc2c(c(N3CCCC3=O)ccc2)C	654
+C1CN(CCC1COc2ncc(nc2)-c3ccc(C(=O)N4CCCC4C(=O)N)c(F)c3)CC(C)(C)F	3388
+CC(C)(C)OC(=O)N1C2CC(C1C(N3CCCC3C(=O)N)=O)CC2O	348
+CC(C)(C)OC(=O)N1C(Cc2c(C1)cc(O)cc2)C(N3CCCC3C(=O)N)=O	348
+CC(C)(C)OC(=O)NC(C(=O)N1C(CCC1)C(=O)N)C2CCC(CC2)NC(=O)OCc3ccccc3	348
+CC(C)(C)OC(=O)NC(CCC(=O)OCC)C(N1C(CCC1)C(N)=O)=O	348
+CC(C)(C(C(=O)N1CCCC1C(OC)=O)NC(OCC)=O)SC(C)C	478
+C1C(C(OC)=O)N(c2nc(ncc2)-c3cnc4ccc(cn34)F)CC1	2619
+FC1CN(CC1)c2nc(cc(C)c2[N+]([O-])=O)N3CCOCCC3	43
+c1cc(ccc1C#Cc2ccc(cc2)CN3CCOCCC3)C(=O)OCC	48
+c1cc(ccc1C#Cc2ccc(cc2)C(N(C(C)(C(=O)NOC3OCCCC3)C(=O)NC)C)=O)CN4CCOCCC4	48
+C1CCN(CCO1)c2cc(Cl)ncn2	54
+c1(c(C)c(C)ccc1C)Oc2cnnc(O)c2Cl	3879
+n1nc(O)c(Cl)c(c1)Oc2c(cccc2)C(C)=O	3879
+C(OC)(=O)C1C=CCN2N1C(C(C2=O)(C)CCO)=O	168
+C(=C)P(C=C)(=O)c1ccc(cc1)F	6629
+CC(C)(C=O)c1cc(c(F)cc1)Br	1137
+CC(C)(C=O)c1c(cc(OC)c(Br)c1)Cl	1137
+CC(C)(C)OC(N1C2CC(CC1CC2)C=O)=O	1137
+CC(C)(C)OC(=O)N(Cc1ccc(cc1)-c2ccccc2)C3CC(CC3)C(=O)CCC=C	3681
+CC(C)(C)OC(=O)N1CC(F)(F)C(=CC(=O)OCC)CC1	3676
+CC(C)(C)OC(=O)N1CCC(CC1)N2c3c(cc(c(c3)C)F)NC2=O	6630
+CCC(CC)(c1ccc2oc(cc2c1)C)O	6631
+c1cc(ccc1S(=O)(=O)N)-c2c(c(sc2C(CC)=O)N3CCOCC3)C	3880
+O=Cc1c(C)cc(cc1OC)Br	3881
+Cc1cc(cc(C)c1Oc2nc(cc(NC(CC)CC)c2C)C)C=O	3882
+FC(F)(F)c1cnc(C(C)=O)cc1	6632
+FC(F)(F)c1ccc(Oc2ccc(cc2)CCO)cn1	6633
+FC(F)(C1(OC1)c2c(F)cc(cc2)F)SCC	2059
+c1cc(F)c(c(OC)c1OC)C=O	6634
+OC12C(C(CC=O)CC1)(C)CCC3C2CCC4C3(CCC(O)C4)C	1137
+CC(C)(OCC)COC1CC(C1)N2c3n(ncn3)C(CCC)=C(C2=O)Cc4ccc(cc4)-c5ccccc5C#N	6635
+C1CC(CCC1N2c3n(ncn3)C(=C(C2=O)Cc4ccc(cc4)-c5ccccc5C#N)CCC)OC(C(C)(C)O)CC	6636
+c1c(Br)c(F)ccc1C=C	6637
+c1(cccc(Cl)c1CCOCCN2CCC3(CC2)CO3)Cl	6638
+c1ccc2C(=O)N(C(c2c1)=O)CCCC(CO)N(C(=O)NCc3cccc(c3Cl)F)C	6639
+C1OC1(c2ccc(cc2F)F)C(C)c3cccnc3	2059
+c1c(cc(c(I)c1)C=O)Br	3881
+c1cc(ccc1)C(c2ccccc2)(C=O)CC(C)N(C)C	1137
+c1cc(ccc1)CN(Cc2ccccc2)c3ccc(C=O)nc3	6640
+c1cc(ccc1-c2oc3c(cccc3c2)C(=O)OC)[N+](=O)[O-]	6641
+c1ccccc1COc2ccc(cc2)C3(CC3)c4nc5c(nc(-c6ccc(cc6F)C7OCCCO7)s5)cc4	6642
+c1cc(ccc1Cl)Oc2ccc(c(Cl)c2)C3(CC)CO3	2059
+c1cc(ccc1F)CCN2CCC(CC2)C=O	1137
+c1cc(ccc1-c2cc(-c3ccc(cc3)Cl)sc2C(CC)=O)S(=O)(=O)N	3880
+c1(cc(cnc1)C#Cc2cccc(c2)OC)C=O	6643
+c1ccccc1CN2CC(NC)C(c3cc(F)c(cc3)Cl)C2	3883
+c1cc(ccc1)CN2CC(NC)C(c3cc(c(Cl)cc3)Cl)C2	3883
+C1CC(CCC1CCOCc2ccccc2)=C	6644
+c1ccccc1COc2c(cc(Cl)cc2)C3(C)OC3	2059
+O=Cc1c2ccncc2c(cc1)Br	3882
+C1CC1c2c(OCC3OCCC3)nc(cc2)C(O)=O	2060
+c1(F)c(ccc(N2C(c3c(C=C2)cc(OCC4CCCO4)cc3)=O)c1)Br	6645
+CC1(C)OB(OC1(C)C)c2cccc(c2)OCC3OCCC3	17
+FC(F)(F)C(=O)c1cn(CC2OCCC2)c3cccc(Cl)c13	531
+CC(C)CNCc1cc2OCCCOc2c(c1)Cl	42
+C1CC(CCN1C(=O)c2cc(Cc3c4c(c(O)nn3)CCCC4)ccc2F)C(OCC)=O	30
+C1CCc2c(C1)c(nnc2Cc3ccc(F)c(C(=O)O)c3)O	3831
+O=S(=O)(c1c(cc(cc1)F)NC2c3c(ccc(c3CCC2)OC)OC)C	60
+C1c2c(CCC1)ccc(OC)c2O	1991
+OC1c2c(CCCC1)cccn2	59
+c12c(cccc1)nc(N)c3nc4n(OCCCC4)c23	445
+FC(F)(F)Oc1cc(ccc1)S(=O)(=O)Nc2cc(c(cc2)OC)C3CN(CC3)C(=O)CC	69
+C1CN(C(=O)CC)CC1c2c(ccc(N)c2)OC	0
+CC(C)(C)OC(N(CC(=O)N1CCSc2c1ccc([N+](=O)[O-])c2)CCO)=O	1568
+Clc1ccc2c(NC(N2C3C(C)CN(CC3)C(=O)OC)=O)c1	1595
+C1CN(C(=O)OC)CC(C)C1Nc2c(N)cc(Cl)cc2	0
+CCNC1CCNCC1C	215
+N1CC(c2cc(ccc2)OC)=CCC1	6646
+C1CN(C(CC1c2n3c(c(N)ncc3)c(Br)n2)=O)C	522
+CC(C)(C)OC(N(CC(=O)N1c2cc(ccc2SCC1)[N+]([O-])=O)C)=O	1568
+FC(F)(F)COc1c(Cl)cccc1CC(N2CCN(c3c(C)cccc3)CC2C(=O)N)=O	6647
+CC(C)(C)OC(N1C(C)CN(CC1)c2nccnc2Cl)=O	23
+c1ccccc1Cc2c(C)c(c(nn2)N3CC(C)NCC3)C	6648
+N1(CCN(c2ncc(C(OC)=O)nc2)C(C)C1)c3nnc(c(C)c3C)Cl	317
+Nc1c(c(N2CCC3C(C2)OCC(=O)N3)cc(C#N)c1)Cl	467
+CC(C)(C)[Si](C)(C)OC1CN(CC1)c2ccc(cc2F)[N+]([O-])=O	19
+c1cc(ccc1OC(OC2CCN(C2)c3ncc(C(=O)N)cc3)=O)[N+]([O-])=O	405
+CC(C)(C)[Si](C)(C)OC1CN(c2ccc3c(c(Cl)ccc3n2)N)CC1	19
+c1c(ccc2n1c(C3CN(C)CC3)nn2)OC4CCC(N)c5ccccc45	870
+C1CN(CCC)CC(c2cc(ccc2)O)=C1	5
+c1c(C)c(c(cc1C)C)CC(=O)NC2(CCN(CC2)OCC)C#N	68
+c1cc(ccc1)C(N2CCC3(CC2)C(c4c(C3)cccc4)=O)=O	214
+c1cc(ccc1)CN2CCC(CC2)(Nc3ccccc3)C(=O)OC	325
+C1CN(CCC1(F)C(O)=O)C2CCCN(CC2)C(OCC)=O	3
+C1CC(CCN1Cc2ccccc2)(Nc3cccc(c3)C)CO	44
+CC(C)(C)OC(NC1(CCN(CC1)C(OCC)=O)CC#N)=O	37
+C1CC(CCN1c2sc3c(ccc(Cl)c3)n2)(CCCl)CC	221
+C1CN(CCC1(CC)CCOc2cc(ccc2Cl)CC(O)=O)c3sc4c(ccc(Cl)c4)n3	4
+C1CC(CCN1C(c2ccccc2)=O)(c3ccccc3)CCN4CCC(CC4)c5nc(Cc6cccnc6)no5	61
+CC(C)(C)OC(NCCC1(CCN(CC1)Cc2ccccc2)O)=O	37
+C1CN(CCC1(c2c(cccc2)C)CNC(=O)OCC)C(=O)OCC	101
+C1CN(CCC1(CN2CCNCC2)c3ccccc3)C	25
+c1ccccc1C(c2ccccc2)NC(=O)N3CCN(CC3)CC4(CCN(CC4)C)c5ccccc5	384
+c1ccccc1C2(CCNCC2)CNC(c3ccccc3OC)=O	25
+c1cc(ccc1)CN2CCC3(CC2)COC(c4ccc(cc4)OCCCN5CCCC5C)=N3	6649
+C1CN(CCC1(COc2ccc(cc2)C#N)O)Cc3ccccc3	57
+C1CN(CCC1(F)CN=[N+]=[N-])C(=O)OCc2ccccc2	133
+CC(C)(C)NC(=O)C1(CCN(CC1)C2CCCN(CC2)C(OCC)=O)F	9
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+FC(F)(F)c1ccc(cc1)-c2nnc(N3CCN(C(C)C3)C(N4CCC(CC4)(F)F)=O)c5c2ccnc5	468
+C1CN(CCC1(F)F)C(=O)c2nc(sc2)C(NN)=O	6650
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(OCC)=O)o3	126
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(=O)O)o3	6
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+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)(C(=O)N)N)N3C(NC(=O)C3(C)C)=O	527
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+C1CN(CCC1(CN)c2ccccc2C)C(=O)OCC	51
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+C1CC(CCN1c2ncnc3nc[nH]c23)(C=O)c4cccc(-c5cn(nc5)C)c4	24
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+C1CC(CCN1C)(c2ccc(Cl)c(Cl)c2)C(=O)OCC	27
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+c1cc(ccc1)C2(CCN(CC2)Cc3ccccc3)CN4CCN(CC4)C	6651
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+C1CN(CCC1)C(c2ncc(cc2)I)=O	3884
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+C1CN(CCC1)C(Cc2ccccc2)C(=O)N3C(CCC3)C(=O)N4C(CCC4)C(O)COc5ccccc5	2654
+c1cc(ccc1OCc2ccccc2)S(=O)(=O)NCC(N3CCCCC3)C(=O)OC	71
+C1CCCCN1C(NCc2cccnc2)=C[N+](=O)[O-]	2063
+C1COCCN1c2cnc(C(=O)N3CCCCC3)cc2	2064
+c1cc(ccc1)COCC2CC(C2)(N3CCCCC3)CN	51
+C1CN(CCC1)C2(CC(C2)CO)CNC(=O)c3c(Cl)cc(cc3)Cl	118
+C1COCCN1c2c3c(cc(CN4CCC(CC4)N5CCCCC5)s3)nc(Cl)n2	509
+C1CN(CCC1N2CCCCC2)c3c(C(C)=O)cc(c4cccnc34)Cl	1563
+FC(F)(F)c1cc(-c2nc3c(c(c2CN4CCC(CC4)N5CCCCC5)C(OC)=O)cc(cc3)S(=O)(=O)C)ccc1	619
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+CC(C)(C)[Si](C)(C)OCCCc1cc2C(C)(C)CCC(C)(C)c2cc1C=O	6652
+c1ccccc1-c2cc(C=O)c(cc2)CO	6653
+C1CN(CCC1)CC#CC(=O)Nc2ccc3ncc(C#N)c(Nc4cccc(Br)c4)c3c2	2355
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+C1CN(CCC1)CCCC#Cc2c3nc(nc(c3n(COCc4ccccc4)c2)N)CCCC	3885
+C1CN(CCC1)CCCCCc2c3nc(CCCC)nc(N)c3n(c2)COCc4ccccc4	2065
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+C1CN(CCC1)CCCCCc2c[nH]c3c(nc(CCCC)nc23)N	6654
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+O(C)C(OC)CNCCCN1CCCCC1	110
+C1CCCCN1CCCN=C=S	985
+C1CCCCN1CCCNC(c2cc(Br)ccc2)=O	93
+C1CCCCN1CCCNc2c([N+]([O-])=O)ccc(Cl)n2	70
+C1CCCCN1CCCNc2nc(ccc2[N+](=O)[O-])Br	340
+C1CN(CCC1)CCCN2CCC(CC2)CCCN3C(=Nc4c(OC)cccc4C3=O)C=Cc5ccc(cc5)Cl	2066
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(c(OCCCN3CCCCC3)cc2)F	79
+C1CN(CCC1)CCCOc2c(OC)cc3c(ncnc3Oc4ccc5c(c4)cc(C(O)=O)[nH]5)c2	185
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+C1CN(CCC1)CCOCC=2NC(=NC(c3cc(c(cc3)C)[N+](=O)[O-])C=2C(=O)OCCCc4ccccc4)c5occc5	6655
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+C1CN(CCC1)CCOc2ccc(cc2)C3c4c(ccc5c4ccc(OC)c5)-c6ccc(cc6O3)CO	98
+FC(F)(F)S(=O)(=O)Oc1c(Oc2ccc(cc2)OCCN3CCCCC3)c4ccc(cc4cc1)OC	166
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+C1CCCCN1CCn2c3c(c(-c4ccc(cc4)NC(NCc5cccnc5)=O)n2)cccc3	1016
+C1CN(CCC1)Cc2ccc(OCCCCCOc3c4c(cc(Cl)cc4)ncc3)c(c2)OC	8
+C1CN(CCC1)Cc2cc(ccc2)OCCCCN	51
+c1cc(ccc1C(c2ncccc2)CCN(CCNC(=O)NCCCCOc3cccc(c3)CN4CCCCC4)C)Cl	1957
+C1CN(CCC1)Cc2oc(cc2)CNCCN3c4c(NC3=O)cccc4	3887
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+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(CCCCSCCOC(C)=O)=O	152
+Cc1cccc(C)c1CCCn2c3c(nc2CN4CCCCC4)cccc3	656
+C[Si](C)(C)c1ccc(cc1)-n2c(c(cc2-c3ccc(cc3Cl)Cl)C(=O)NN4CCCCC4)C	1872
+FC(F)(F)CCOc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C	6659
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+c1ccccc1COc2ccc(cc2)-n3c(c(nc3-c4c(Cl)cc(cc4)Cl)C(NN5CCCCC5)=O)C	3888
+C1CN(CCC1)c2cc([n+](cc2Br)[O-])C	103
+C1CN(CCC1)c2cc(N(C)C(C)=O)ccc2N	0
+C1CN(CCC1)c2cc(N(C)C(C)=O)ccc2[N+](=O)[O-]	808
+O=S(=O)(C)N(c1cc(c([N+](=O)[O-])cc1)N2CCCCC2)C	1632
+C1CCCCN1c2c(N)ccc(OCC)c2	0
+C1CN(CCC1)c2cc(c(cc2)OC)CCN3CCC(CC3)n4ccc5c4cc(C(=O)N)cc5	61
+C1CN(CCC1)c2cc(ccc2NC(=O)c3oc(C#N)cc3)N(C)S(=O)(=O)C	1129
+C1CN(CCC1)c2cc(OCC)ccc2[N+]([O-])=O	556
+C1CCCCN1c2cc(-n3ccnc3)ccc2[N+](=O)[O-]	2067
+FC(F)(F)c1c(nccc1)N2CCN(CC2)c3nc(N4CCCCC4)cc(n3)Cl	117
+C1CN(CCN1c2ccc(C(C)=O)cc2F)C(=O)c3cc(S(=O)(=O)C)ccc3N4CCCCC4	30
+C1CN(CCC1)c2cc(c(N)cc2)C(=O)N	0
+FC(F)(F)c1cccc(-n2cc(NC(=O)c3c([N+](=O)[O-])ccc(N4CCCCC4)c3)nc2)c1	1351
+O=S1(=O)c2ccc(-c3ccc(cc3)N4CCCCC4)cc2C=C(CC1)C(=O)OC	750
+C1CN(CCC1)c2ccc(N)nc2	161
+C1CN(CCC1)c2nc(-c3ccc(cc3C)C)c(c(C)n2)C(CCC)C(O)=O	4
+O=C1c2c(C(=O)N1CCN3CCNc4c(nc(C#N)nc34)N5CCCCC5)cccc2	332
+c1cc(ccc1C)-c2c(C(CCC)C(OC)=O)c(nc(N3CCCCC3)n2)O	1173
+C1CCCCN1c2cc(nc(n2)-c3ccc(cc3)-c4ccccc4)C(OC)=O	345
+C1CN(CCC12NC(C(=C2O)c3cc(c(cc3C)F)-c4ccc(cc4)Cl)=O)OC	11
+C1CN(CCC12c3c(NC2)cccc3Br)Cc4ccccc4	15
+c1cc(ccc1)CN2CCC3(CC2)C(c4c(C3)ccc(OC)c4)O	74
+c1cc(ccc1F)C2C3(CCN(CC3)Cc4ccccc4)CNC2	15
+C1CN(CCC12CC(C(C2)NCc3nc4c(SCC(N4)=O)cc3)O)c5ccnc6ccc(nc56)OC	294
+C1CC2(CCN1C(c3ccccc3OC)=O)Oc4c(C(O)C2)cccc4	74
+C1CN(CCC12CC(c3cc(ccc3O2)C=CC(O)=O)=O)CCc4c[nH]c5ccccc45	127
+C1CCC1N2CCC3(CC2)CCNCC3	25
+C1CC2(CCN1Cc3ccccc3)CCNCC2	15
+C1CN(CCC12CCc3ccccc23)CC4Cc5ccccc5N(CC(O)=O)C4=O	4
+C1CN(CCC12CCc3ccccc23)CC4Cc5ccccc5N(CC(N(C)C)=O)C4=O	10
+C1CC2(CCN1)c3ccc(cc3OC2)O	25
+C1CN(CCC12COc3cc(ccc23)O)Cc4ccccc4	5
+CC(C)(C)C(=O)OC1=C(c2c(cc(c(c2)-c3ccc(cc3)Cl)F)C)C(NC14CCN(CC4)OC)=O	6660
+C1CC2(CCN1C(=O)c3ccc(cc3)-c4cn5c(-c6ccc(cc6)C#N)cnc5cc4)N(CCCC2)C(=O)C	58
+C1CN(CCC1(O)CN)C(c2ccc(cc2)F)=O	906
+CC(C)(C)OC(N1CCN(CC2(CCN(CC2)c3ncnc(Cl)c3)O)C(=O)C1)=O	6661
+C1CC1N2C(=O)COC3(CCN(CC3)C(C)c4c(F)cc(-c5ccc(cc5)OC)cc4)C2	11
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4cn(nc4C)-c5ncccc5COC	3889
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4c(C)nn(c4)-c5c(C=O)cccc5F	39
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4c(nn(-c5c(F)cccc5CO)c4)C	98
+CC(C)(C)OC(CCOCCc1cc(CCN2CCC3(CC2)OCCN(C(c4nc(sc4)C(C)C)=O)C3)cs1)=O	1615
+C1CN(CCC12OCCN(C(c3nc(sc3)C(C)C)=O)C2)CCc4cc(sc4)CCO	59
+C1CN(CCC12OCCO2)CCN	51
+C1CC(CCN1CCc2c(OC)cc3c(N(CCC3)C)c2)=O	97
+C1CN(CCC12OCCO2)CCc3c(cc4c(NCCC4)c3)OC	1352
+C1CN(CCC12OCCO2)CCc3c(OC)cc4c(N(CCC4)C)c3	1353
+O(c1cc(cc(OC)c1OC)-c2nccc(CN3CCC(CC3)=O)c2)C	97
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC3(CC2)OCCO3)N4C(NC(=O)C4(C)C)=O	6662
+C1CN(CCC1=O)c2cc(ncn2)Cl	97
+C1CN(CCC12Oc3c(C(=O)C2)cc(NS(=O)(=O)C)cc3)C	80
+C1CN(CCC12Oc3ccc(cc3C(C2)=O)C#N)C(=O)c4cc(OC)c5cccc(OC)c5n4	160
+c1ccccc1COC(c2ccc3c(C(=O)CC4(CCN(CC4)C(=O)c5cc(OC)c6cccc(OC)c6n5)O3)c2)=O	2656
+C1CN(CCC12Oc3c(cc(N)cc3)C(=O)C2)C	0
+C1CC2(CCN1C(=O)c3cc(OC)c4cccc(OC)c4n3)CC(=O)c5cc(ccc5O2)-c6[nH]nnn6	1174
+C1CN(CCC12c3c(CCO2)cc(F)s3)Cc4c(nn(c4)-c5ncccc5C(=O)N)C	745
+CC(C)(C)OC(=O)N1CC2(CCN(CC2)Cc3ccccc3)c4c1cccc4Br	603
+C1CC(CCN1c2ccc(Cl)c(c2)OC)=CCOC	3890
+C1CN(CCC1CC(OCC)=O)OC	774
+c1cc(ccc1OC)N2CCC(CC2)N	733
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+C1CC(CCN1c2nc(Cl)c(CO)nc2Cl)=NOC3CCN(CC3)C(=O)OC(C)C	2068
+CC1(C)CC(CC(C)(C)N1)Nc2nc(ccn2)-c3ccc(cc3)C4(CCN(CC4)C)O	251
+CC1(C)CC(CC(C)(C)N1)Nc2nccc(-c3sc(C4(CCN(CC4)C)O)cc3)n2	3213
+Clc1cc2c3CN(C)CCc3n(CC(OCC)=O)c2cc1	6663
+C(OC(CCn1c2CCN(Cc2c3cc(C)ccc13)C)=O)C	6664
+C1CC(CCN1C)(O)C#N	3637
+c1cc(ccc1C)NC2(CCN(CC2)C)C#N	1621
+C(#N)Cn1c2CCN(Cc2c3cc(C)ccc13)C	6665
+c12c(C)cc(OC)cc1c(C=3CCN(C)CC=3)c[nH]2	888
+[nH]1c2CCN(Cc2c3cccc(Br)c13)C	518
+c1c2c(CCN2C(=O)C)cc3[nH]cc(c13)C=4CCN(C)CC=4	888
+C1CC(CCN1C)(c2cc(F)c(Br)cc2F)O	251
+c1c(cc2c(C=3CCN(C)CC=3)c[nH]c2c1)Br	888
+c1ccc2c(c1)[nH]c3CCN(Cc23)C	6666
+c1cc(ccc1CNC2CCN(CC2)C)C	87
+c1cc(ccc1CNC2CCN(CC2)C)F	87
+c1ccccc1CN2C(CN(C3CCN(CC3)C)CC2)C	85
+c1ccccc1S(=O)(=O)Oc2cc3c(C=4CCN(C)CC=4)c[nH]c3c(c2)Br	888
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+C1C(C=O)=C(Cl)CCN1C(OCC)=O	2657
+c1cc(ccc1NC2(CCN(CC2)C(=O)OCC)C#N)F	1621
+C1CC(CCN1C(=O)OCC)N2CCc3c2cccc3	3891
+C1CN(CCC1(O)Cc2ccc(cc2)C)C(=O)OCC	3892
+C(C)OC(N1Cc2c3cc(C)ccc3[nH]c2CC1)=O	518
+C1CN(CCC12OC2)C(c3ccc(cc3)F)=O	1626
+C1CN(CCC1Nc2ccccc2N)C3CC4CCCc5cccc3c45	231
+C1CN(CCC12OCCO2)CC#N	381
+CC1CN(CC(C)O1)C2CCN(CC2)CC34c5c(cccc5)C(C3)c6c4cc(cc6)Cl	85
+C1COCCN1c2c3c(cc(CN(C4CCN(CC4)CCOC)C)s3)nc(n2)Cl	85
+c1cc(ccc1COc2c(cc(Br)cc2)CN3CCC4(CC3)CO4)Cl	1626
+C1CN(CCC1NC)Cc2cc(c(F)cc2)F	87
+C1CC(CCN1S(=O)(=O)c2cccc(Cl)c2)(C#N)N	661
+CC1(C)OB(OC1(C)C)c2cccc(c2)N3CCC(CC3)=O	17
+C1CN(CCC12OC2)c3ncnc(Cl)c3	1626
+C1CN(CCC1=CC(=O)OC)c2ccc(Cl)c(c2)OC	1513
+C1CC(CCN1c2cccc(c2)-c3ccnc(Cl)n3)O	100
+c1cc(ccc1)C2C(NC3CCN(CC3)c4nccc(n4)N)C2	87
+C1N(CC1c2nccnc2N3CCC(CC3)(C)O)C(c4[nH]c5ccccc5n4)=O	3893
+c1cc(ccc1)C(N2CCC(CC2)C#Cc3cccc(c3)Br)=O	121
+c1cc(ccc1N2CCOCC2)-c3cnc(N)c(c3N4CCC(CC4)C#N)Cl	89
+C1CN(CCC1C(C)=O)c2c(nnc(Cl)c2)OC3CN(C3)c4ccc5c(cccc5)n4	485
+CC(C)(C)OC(n1ccc2c(NC(C3CCN(CC3)C(OCc4ccccc4)=O)=O)ccnc12)=O	26
+c1cc(ccc1)CN2CCCC(CN3CCC(CC3)C(=O)Nc4ccc(c(Cl)c4)Cl)C2	48
+c1cc(ccc1)NC(=O)C2CCN(CC2)Cc3ccc(cc3)-c4nc5c(cc4-c6ccccc6)cnc7n5nc(C)c7	33
+c1cc(ccn1)COc2c(nsn2)N3CCC(CC3)C(=O)O	6668
+C1CC(CCN1c2c(ccnc2)-c3sc(C)cn3)C(N4CCCC4C#N)=O	10
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+CC(C)C(N)CN1CCC(CC1)Cc2cc(c(Cl)cc2)Cl	15
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+C1CC(CCN1CCNC(=S)Nc2c(ccnc2)N)Cc3nc4cccnc4n3CCOCC	3902
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+C[Si](C)(C)Cn1nnc(c1)-c2cc3c(cc2)n(cc3)CC4CCN(CC4)C(CCc5ccccc5)=O	6677
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+CC1(C)C(C)(C)OB(O1)c2cc3c(n(cc3)CC4CCN(CC4)C(CCc5ccccc5)=O)cc2	17
+C[Si](C)(C)C#Cc1cc2c(n(CC3CCN(CC3)C(CCc4ccccc4)=O)cc2)cc1	263
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+CC(C)(C)C(Nc1cc(NC2CCN(CC2)C)c(Cl)cn1)=O	105
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+C1CN(CCC1NC(=O)c2cc(-c3sccc3)on2)CCOc4nc5c(ccc(OC)c5)nc4	81
+C1CN(CCC1NC(=O)c2cc(-c3sccc3)on2)CCSc4nc5cc(ccc5nc4)OC	81
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+C1CC(CCN1CCSc2nc3cc(OC)ccc3nc2)NCc4cc5OCCOc5cc4	42
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+FC(F)(F)c1cc(ccc1CNC2CCN(CC2)c3c4c(cccc4)c(nn3)-c5ccnn5C)F	42
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+CC(C)n1c(cnc1C)-c2ccnc(NC3CCN(CC3)C(=O)OCc4ccccc4)n2	6681
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+CC(C)(C)OC(=O)N(CC1CC1)C2CCN(CC2)C(OCc3ccccc3)=O	23
+CC(C)(C)OC(=O)N(Cc1c(cc2c(NC(=O)CS2)n1)Cl)C3CCN(CC3)CCN4C(=O)C=Nc5ccc(cc45)OC	23
+c1ccccc1CN2CCC(CC2)Nc3c(Br)cnc(NCc4ccncc4)n3	96
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+C1CC(CCN1)Nc2c(cc3c(c(ncn3)Nc4cc(ccc4)C#C)c2)OC	62
+c1cc(ccc1CCCCOCCCCBr)C(NCc2c(CC)nc3n(ncc3c2NC4CCN(CC4)C(=O)N)CC)=O	93
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+C1CN(CCC1N2C(=O)Nc3ccccc23)C4CC5CCCc6c5c4ccc6	1019
+C1CN(CCC1Nc2n(Cc3ccc(cc3)F)c4c(cccc4)n2)CCNC(NCc5cnccc5)=S	1832
+C1CN(CCC1Nc2nc3c(cccc3)n2Cc4ccc(C)o4)CCN	51
+C1CN(CCC1Nc2nc3cc(ccn3n2)-c4ccccc4)c5snc(n5)C	2070
+C1CN(CCC1Nc2ccc(C#N)nn2)Cc3ccccc3	2660
+CC(C)(C)C(OCN1C(=O)c2c(N=C1)cc(OC)cc2OC3CCN(CC3)C)=O	419
+C1CN(CCC1Oc2cc(C#N)ccn2)C	91
+C1CC(CCN1C)Oc2cc(Br)ccc2C	57
+c1cc(ccc1C=2C(=O)N(C=CC=2)C3CCN(CC3)C)C(OC)=O	6684
+C1CN(CCC1O)c2nc(C(C)C)no2	880
+c1(cccc(Cl)c1CCOCCN2CCC(CC2)O)Cl	15
+C1CN(CCC1O)CC23CC(c4ccc(cc24)Cl)c5ccccc35	15
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+C1CN(CCC1Oc2sc3cc(ccc3n2)Br)c4onc(C(C)C)n4	3903
+C1CN(CCC1Oc2c(nccn2)Cl)c3ccc4ccccc4n3	799
+C1CN(CCC1Oc2cc(ccc2Br)F)c3ccc(-c4cc(cnc4)C(=O)OCC)cn3	20
+C1CN(CCC1=O)c2nccnc2C3CN(C3)C(c4[nH]c5ccccc5n4)=O	86
+C1CN(CCC1O)c2ccc(-c3cncc(C(OCC)=O)c3)nn2	1633
+C1CN(CCC1O)c2scc(n2)CN3CCN(c4c(c(C)cc5cccnc45)OCCCC(O)=O)CCC3	4
+C1CC(CCC1)(C(O)=O)NC(OC2CCN(CC2)C(OC)=O)=O	210
+C1CN(CCC1OC(Nc2ccccc2-c3ccccc3)=O)CCCCCCCCCNCc4c(O)cc(Cl)c(F)c4	42
+C1CC(CCN1c2c(C3CC3)cc(cn2)[N+](=O)[O-])OC(c4ccccc4)=O	6685
+C1CN(CCC1OC)C(=O)c2cc(Cc3c4cc(N)ccc4c(nn3)O)ccc2F	1599
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+C1CC(CCN1c2onc(n2)C(C)C)Oc3c(c(ncn3)Oc4c(cc(Br)cc4)F)C	185
+c1cc(ccc1C(=O)Nc2cc(c(C)cc2)OC3CCN(CC3)C)F	50
+C1CNCCN1c2c(OC3CCN(CC3)c4ccc5ccccc5n4)nccn2	317
+C1CN(CCC1Oc2nccc(CN)c2)C	107
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+C1CN(CCC1Oc2cc(ccc2Br)F)c3sc(nn3)-c4nnn[nH]4	6688
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+CC(C)(C)OC(=O)COc1c(Cl)ccc(c1)C(NCC(O)CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3C)=O	14
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+C1CN(CCC1Oc2ccc(cc2)-n3cc(C(N)=O)cn3)C4CCC4	1356
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+C1CN(CCC1Oc2sc3cc(C4=CCN(S(=O)(=O)CCC(=O)OC)CC4)ccc3n2)c5nnc(C)s5	990
+C1CN(CCC1Oc2sc3cc(C4=CCN(S(=O)(=O)CCC(=O)OC)CC4)ccc3n2)c5onc(C(C)C)n5	990
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+C1CN(CCC1c2c3cc(-c4cc(ccc4)CO)cc(C(=O)N)c3[nH]c2)S(=O)(=O)CC	11
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+C1CN(CCC1c2[nH]nc3c2ccc(F)c3)CCCOC(Nc4ccc5OCOc5c4)=O	589
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+c1cc(ccc1C=NOC)-c2cc3c(C4CCN(CC4)S(=O)(=O)CC)c[nH]c3c(C(=O)N)c2	135
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+C1CN(CCC1c2c3c(c(cc(c3)-c4cccc(c4)CNCc5cscc5)C(=O)N)[nH]c2)S(=O)(=O)CC	42
+C1CC(CCN1)c2c(nnc(C)c2)O	62
+C1CN(CCC1c2ccc(N3CC(OC3=O)CN)cc2F)C(COCc4ccccc4)=O	6690
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+C1CN(CCC1c2ccc(cc2)-c3cc4c([nH]cc4C(O)=O)cc3Cl)C(=O)C	1
+C1CN(CCC1c2ccc(cc2)-c3c(Cl)cc4c(c(C(=O)OC)c[nH]4)c3)C(=O)C	749
+c1(Cl)cccc(Cl)c1C(=O)NC(Cc2ccc(cc2)C3CCN(CC3)S(=O)(=O)C)C(OC)=O	259
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+c1ccccc1C2CCN(CC2)C(=O)C3CNCC34CCCc5ccccc45	25
+C1CN(CCC1c2ccccc2)Cc3nc4c(cc(cc4)N)cc3	0
+C1CN(CCC1c2ccccc2)Cc3cnc(NC(C)=O)s3	290
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+C1CC(CCN1C)c2cn(CCc3ccccc3)c4c(C)cc(cc24)O	5
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+C1CNCCC1c2nc(-c3c4c(CCO4)c(N)c(c3)Cl)on2	215
+C1CNCCC1c2oc(-c3ccc(cc3)F)c(COC)n2	526
+C1CN(CCC1n2ncc(-c3cc(c(nc3)N)-c4oc5c(ccc(OC)c5)n4)c2)C	3908
+C1CN(CCC1n2cc(-c3cnc(c(c3)C(Nc4c(O)cc(OC)cc4)=O)N)cn2)C	246
+C1CN(CCC1n2cc(cn2)-c3cnc(N)c(C(O)=O)c3)C	1
+C1CN(CCN1C)c2c(CN3CCN(CC3)C)cc(cc2)[N+](=O)[O-]	889
+C1CN(CCO1)Cc2ccc(cc2)N3CCC(CC3)N4CCN(CC4)C	85
+C1COCCN1c2c3c(cc(s3)CN4CCN(CC4)C)nc(Cl)n2	509
+C1CN(CCN1CCn2nc3c(-c4c(c5c(Nc6cc(c(OCc7ncccc7)cc6)Cl)ncnc5s4)CC3)c2)C	28
+c1cc(ccc1)CC(C(=O)N2CCN(CC2)C)CC(=O)N3Cc4cscc4C3	10
+CC(C)(C)C(=O)OCN1C=Nc2cc(OCC(CN3CCN(CC3)C)O)c(OC)cc2C1=O	170
+CC(C)(C)OC(=O)N1CCC(CC1)Sc2nc(cc(n2)Nc3ncc(C#N)s3)N4CCN(CC4)C	54
+CC(C)(C)OC(NCc1c(c(C)cc([N+]([O-])=O)c1)N2CCN(CC2)C)=O	79
+CC(C)(C)OC(CC(c1nc(C(N2CCN(CC2)C)=O)no1)CCCC3CCCCC3)=O	2661
+C1CN(CCN1c2n(C(C)C)c3ccc(Cl)cc3n2)C	2071
+CC1(C)c2c(N(C)C1=O)cc(-c3oc(N4CCN(CC4)C)nc3)cc2	6692
+C1CN(CCN1C)CCC2CC(CCC2(C)C3C(OC(C)=O)C4CCC(=C)C4(C)CC3)OC(=O)C	61
+C1CN(CCN1c2cc(N(CC)C(C)=O)c([N+](=O)[O-])cc2F)C	202
+C1CN(CCN1c2ncc(c(CC(=O)OCC)c2)[N+]([O-])=O)C	323
+C1CN(CCN1C)CCCc2c3c([nH]c2C=O)CCCC3	6693
+C1CN(CCN1c2cnc(O)c3c2cc(cc3)OC)C	244
+C1CN(CCN1c2cc(ccc2)Cc3c(C)nc(C(OCC)=O)s3)C	79
+C1CN(CCN1C)C(=O)Nc2cccc3nc(ccc23)NC4c5c(CC4)cccc5	2016
+C1CN(CCN1C)C(Nc2cc(c(cc2)NCC)[N+](=O)[O-])=O	2016
+C1CN(CCN1C)c2cc(cc(Cl)c2)C#N	34
+C1CN(CCN1C)c2cc(c(cc2)[N+](=O)[O-])N3CCCC(F)C3	202
+C1CN(CCN1c2c(cc(c(c2)NC)[N+](=O)[O-])Cl)C	202
+C1CN(CCN1c2cc(C(O)=O)c(cc2)[N+](=O)[O-])C	202
+C1CN(CCN1C)c2c([N+](=O)[O-])ccc(Cl)c2	34
+C1CN(CCN1C)Cc2nn3c(C(=O)NC(c4c(Cl)cc(cc4)Cl)=C3)c2	315
+C1CN(CCN1C)CCCCOc2ccc3c(n(-c4sc(c(n4)-c5cc(ccc5)Cl)C(N)=O)cn3)c2	53
+C1CN(CCN1c2nc(CC)nc(NN)c2F)C	6694
+C1CN(CCN1c2cc(c3CCCCc3c2)CC(=O)OCC)C	908
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+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4c(cnc(c4)CN5CCN(CC5)C)nc3)C)cccc1	2019
+FC(F)(F)c1ccccc1CNC(=O)C2CCN(CC2)c3nc(nc(Cl)n3)N4CCN(CC4)C	436
+FC(F)(F)c1c(OCC)ccc(-c2cc3c(c(C#N)n2)nc([nH]3)CN4CCN(CC4)C)c1	894
+FC(F)(F)c1cc(Nc2cc(NC(=O)c3ccc(cc3)CN4CCN(CC4)C)ccc2C)nc(-c5ccncc5)n1	171
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+C1CN(CCN1c2cc(cc([N+]([O-])=O)c2)F)C	34
+C1CN(CCN1C)CCOc2cc3c(cc2OC)cc4c(c(C#N)cnc4c3)Nc5ccc(Sc6nccn6C)c(Cl)c5	53
+C1CN(CCN1c2nc3ccc(OC)cc3c4nc(C)nn24)C	6695
+C1CN(CCN1c2c(c(cc(Cl)n2)N)[N+](=O)[O-])C	43
+C1CN(CCN1c2cc(c([N+]([O-])=O)c(CS(=O)(=O)c3c4ccccc4ccc3)c2)OCCCl)C	34
+O=S(=O)(c1ccc(O)c(c1)-c2nc(O)c3n(C)nc(c3n2)CCC)N4CCN(CC4)C	92
+O=S(=O)(N(C)c1cccc2c1[nH]c(C3=NCC(S3)CC(=O)N4CCN(CC4)C)c2)c5cccs5	10
+C1CN(CCN1CCn2ncc(-c3cc(-c4nc5ccccc5o4)c(nc3)N)c2)C	123
+C1CN(CCN1S(=O)(=O)c2sc(Br)c(c2)-c3sc(NC(C)=O)nc3C)C	1147
+O=S(=O)(c1cc([N+]([O-])=O)c(Cl)cc1)N2CCN(CC2)C	92
+C1CN(CCN1C)Cc2cccc(B(O)O)c2	48
+C1CN(CCN1c2c([N+]([O-])=O)cc(Nc3nccc(-c4c5ccccc5n(c4)C)n3)c(OC)c2)C	34
+C1CN(CCN1c2cc(NC(Cc3ccc4OCOc4c3)=O)c(C(=O)OC)c(c2)F)C	34
+c1(C)cc(cc(C)c1)NC(c2cccnc2SCc3ccnc(c3)N4CCN(CC4)C)=O	361
+C1CN(CCN1C)c2c(F)c(Cl)c([N+]([O-])=O)c(F)c2C	34
+c1(c(F)c(c(c(F)c1[N+](=O)[O-])F)N2CCN(CC2)C)F	34
+C1CN(CCN1C)c2cc(F)nc(F)c2	6696
+C1CN(CCN1c2nccc(N)c2)C	43
+C1CN(CCN1c2c(nccn2)Cl)C	317
+C1CN(CCN1C)c2cc3ncn(c3nc2)Cc4ccc(c(OC)c4)OCc5cnc(cc5)OC	6697
+C1CN(CCN1C(=O)c2cc(c([N+](=O)[O-])cc2)[N+](=O)[O-])C	30
+C1CN(CCN1C)c2cc3c(c(c2)C#N)N=CN(c4cc(C(=O)OC)ccc4C)C3=O	560
+C1CN(CCN1C)c2nc(nc(NN)c2)CC	54
+C1CN(CCN1C)c2cc(Cl)nc(N)n2	54
+C1CN(CCN1C)c2nc(N)nc(N3Cc4cc(Br)ccc4CC3C)c2	54
+C1CN(CCN1c2cc3ncn(Cc4cc(c(OCc5ccc(nc5)OC)cc4F)OC)c3cc2)C	6698
+C1CN(CCN1c2c(cc([N+](=O)[O-])c(F)c2CC)F)C	34
+C1CN(CCN1c2c(cc(Br)cc2)C#N)C	34
+C1CN(CCN1c2cc(CC(=O)OCC)c(cc2)[N+](=O)[O-])C	79
+C1CN(CCN1C)c2ccc3C(COc3c2)=O	34
+C1CN(CCN1C)C=2c3c(Nc4cc(F)ccc4N=2)sc5c3ccc(Br)c5	6699
+C1CN(CCN1c2c3n(ccn2)c(cn3)-c4cccc(Br)n4)C	2072
+C1CN(CCN1C)c2n3c(nc(CN(C)C4c5ncccc5CCC4)c3Br)ccc2	1902
+C1CN(CCN1c2cccc3nc(CO)cn23)C	1902
+C1CN(CCN1C)c2ccc(c(Br)c2)[N+]([O-])=O	34
+C1CN(CCN1C=2c3cc(C)sc3Oc4c(N=2)ccc(c4)[N+](=O)[O-])C	6700
+c1ccccc1-c2c3ccccc3nc(N4CCN(CC4)C)n2	549
+c1cc(ccc1)CNC(=O)c2cnc(N3CCN(CC3)C)cc2-c4c(C)cccc4	43
+C1CN(CCN1C)c2c(cccc2)-c3ccc(cc3)Cn4ccc5cc(ccc45)C	79
+C1CN(CCN1C)Cc2ccc(cc2)-c3c(cc(cc3)CCC(OCC)=O)OCCCOC	48
+C1CN(CCN1C(c2cc(OC)c(cc2)Nc3nc(cnc3)-c4ccc(cc4)O)=O)C	30
+C1CN(CCN1C(c2ccc(cc2)-c3nc4n(ncc4)c(NCc5c(cc(cc5)Cl)Cl)c3)=O)C	30
+C1CN(CCN1C(C(CCCC(=O)OC)NC(=O)c2ccc(cc2)F)=O)C	10
+c1cc(ccc1C(Nc2ccc(c(c2)C(OC)=O)C)=O)CN3CCN(CC3)C	171
+C1CN(CCN1C(c2ccc(cc2)Nc3nc(Cl)ccc3C(=O)N)=O)C	30
+C1CN(CCN1CC2=CC(c3ccc(cc3)S(C)=O)=NN(C2=O)CC4CC4)C	3909
+C1CN(CCN1C)C(=O)c2ccc3CN(c4c(cccc4)Cn23)C(c5ccc(cc5)C6CCCCC6)=O	147
+c1cc(ccc1C=2CCCCC=2C)C(N3c4c(cccc4)Cn5c(C(=O)N6CCN(CC6)C)ccc5C3)=O	147
+C1CN(CCN1C(=O)c2ccccc2-c3ccc(cc3)CN(C(=O)CCCC)c4ccccc4)C	30
+C1CN(CCN1c2nc(C)nc3c2nc(-c4c(cccc4)F)n3-c5ccc(cc5)Cl)C	1310
+C1CN(CCN1C)C(c2cccc(c2)Br)c3ccc(cc3)Cl	2073
+c1cc(ccc1F)-c2cc(no2)C(NCCC(=O)N3CCN(CC3)C)=O	10
+c1cc(ccc1N2CCN(CC2)C)C(=O)Nc3c(nc(Nc4c5ccccc5ncc4)s3)C(N)=O	34
+C1CN(CCN1c2ccc(cc2)C(Nc3c(nc(Nc4cc5cccnc5cc4)s3)C(N)=O)=O)C	34
+C1CN(CCN1C)CCCOc2ccc(cc2)NC=C3c4ccccc4NC3=O	183
+C1CN(CCN1c2ccc(cc2)C(Nc3sc(nc3C(N)=O)Nc4ccc(cc4)OC)=O)C	34
+c1cc(ccc1O)CCNc2nc(-c3cc(CN4CCN(CC4)C)ccc3)ccn2	48
+c1cc(ccc1OCCCN2CCN(CC2)C)Br	28
+c1cc(ccc1S(=O)(=O)N(c2c(CN3CCN(CC3)C)cccc2C(=O)OC)C)OC	131
+C1CN(CCN1C)c2ncc(cc2)C(OC)=O	43
+C1CN(CCN1C)c2c(CCCCCC)c(c(c3n2c4c(cccc4)n3)C#N)C	6701
+C1CN(CCN1C)CC(c2ccccc2)O	170
+c1ccccc1COC(NC2CCC(N3CCN(CC3)C)CC2(C)C)=O	85
+C1CN(CCN1c2nc(C)c(s2)C(N(Cc3c4c(nc(c3)O)cccc4)c5ccccc5)=O)C	641
+C1CN(CCN1C(c2n[nH]c(-c3cnc(nc3)Oc4ccccc4)c2)=O)C	147
+C1CN(CCN1Cc2nc3c(o2)cc(cc3)-c4c5c(cc(F)cc5)n(S(=O)(=O)c6ccccc6)c4)C	960
+C1CN(CCN1Cc2oc3ccc(cc3n2)-c4c5c(cc(F)cc5)n(S(=O)(=O)c6ccccc6)c4)C	960
+C1CN(CCN1CCn2nc(c(c2)-c3ccncc3)-c4cccc(N(S(=O)(=O)c5c(F)ccc(F)c5)COC)c4F)C	1306
+C1CN(CCN1CC=Cc2cc3c(c(Nc4cc(c(Sc5n(C)ccn5)cc4)Cl)c(cn3)C#N)cc2)C	3857
+c1ncncc1-c2c(-c3ccc(cc3)NCCN4CCN(CC4)C)[nH]c5ncc(Cl)cc25	53
+C1CN(CCN1C)c2cc(-c3nc(sc3)Nc4cccc(c4)C)ccn2	323
+C1CN(CCN1C)c2c(F)cc3c(nc(cc3CO)O)c2	2074
+c1nc(ncc1-c2cc(c(CN3CCN(CC3)C)cc2)F)N4CCOC(Cn5c6nc(-c7cn(C)nc7)cnc6nn5)C4	48
+C1CN(CCN1C2=Nc3c(N(c4cscc24)C)cccc3)C	6702
+FC(F)(F)c1c(ccc(NC2CCC(CC2)OCC(N3CCN(CC3)C(C4Oc5ccc(Cl)cc5C4)=O)=O)c1)[N+]([O-])=O	10
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CCC(CC2)C)C(=O)Nc3ncc(CN4CCN(CC4)C(CC(=O)OC)=O)s3	2075
+CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)C(CN2C(c3c(cccc3)S2)=O)=O	10
+C1CN(CCN1C(CNC(=O)c2ccc(cc2)Oc3ccccc3)=O)C(c4ccc(cc4Cl)Cl)=O	30
+C1CN(CCN1CCn2ccc3c4nc(-c5occc5)nn4c(nc23)N)C(Cc6ccc(cc6F)F)=O	123
+c1cc(ccc1C#N)CNC(N2CCN(CC2)C(=O)CNC(=O)OCc3ccccc3)=O	10
+CC(C)(C)OC(=O)N1CC(CC1)N2CCN(CC2)C(=O)Nc3cc(Cl)c(Cl)cc3	85
+c1cc(ccc1N2CCC(CC2)O)NC(=O)N3CCN(CC3)C(=O)c4cccn4C	6703
+C1CN(CCN1C(=O)c2cccs2)c3c4c(ncc(c4)F)nc(c3C(=O)OCC)O	1635
+C1CN(CCN1C(=O)c2cccs2)c3c4cc(cnc4nc(O)c3C#N)F	1635
+C1CN(CCN1C=2c3ccccc3N(C(=O)C=2C#N)Cc4ccc(cc4)F)C(c5cccs5)=O	1636
+C1CN(CCN1C(c2cccs2)=O)c3c4c(nc(O)c3C#N)cccc4	264
+CC(C)(C)OC(N1CC(C1)N2CCN(CC2)C(c3sccn3)=O)=O	85
+FC(F)(F)c1csc(n1)N2CCNCC2	6704
+C1CN(CCN1C(C)(C)C(N)=O)Cc2nc3c(nc(Cl)nc3cc2)N4CCOCC4	596
+c1cc(ccc1Cl)OCC(N2CCN(CC2)C(C=3N(c4ccccc4O)C(c5c(cccc5)N=3)=O)C)=O	58
+C1CN(CCN1)C(C)C=2N(C(=O)c3c(cccc3)N=2)c4ccccc4O	5
+C1CN(CCN1)C(C)C=2N(c3c(OC)cccc3)C(=O)c4c(cccc4)N=2	6705
+C1CN(CCN1C(COc2ccc(cc2)Cl)=O)C(C=3N(C(=O)c4ccc(cc4N=3)[N+](=O)[O-])c5ccccc5OCC)C	10
+C1CN(CCN1C(C#Cc2cccc(c2)Cl)CC)C(=O)OCCOC	66
+C1CN(CCN1C(OCC(NC)=O)=O)c2ncc(cc2)[N+](=O)[O-]	43
+C1CN(CCN1C(OCC)=O)C2Cc3c(Sc4ccc(SC)cc24)cc(cc3)OC	1148
+C1CN(CCN1C=2c3c(ccc(C)c3)Oc4c(C=2)cc(cc4)C)C(OCC)=O	6706
+C1CN(CCN1C(OCC)=O)CCCCCCCCCC	123
+C1CN(CCN1C(OCC)=O)CCCCCCCCCCCCCCC	123
+C1CN(CCN1c2c(F)cc([N+](=O)[O-])c(F)c2CO)C(=O)OCC	34
+C1CN(CCN1C(=O)OCC)C2Cc3c(ccc(c3)C)Sc4ccccc24	1148
+c1cc(ccc1C(N2CCN(CC2)C(=O)OCC)c3c(cccc3)Cl)Cl	2073
+c1ccccc1N(c2ccccc2)CC(=O)N3CCN(CC3)C(c4ccc(cc4)Cl)c5ccccc5	10
+c1cc(ccc1)C(=O)N2CCN(CC2)C3(Cc4cccc(Cl)c4)c5ccc(cc5NC3=O)Cl	115
+C1CN(CCN1CCN2CCOC2=O)C3c4ccccc4Sc5c(C3)cc(cc5)C	53
+c1cc(ccc1F)C(CN2CCN(CC2)C(=O)c3cc(C)n[nH]3)=O	147
+C1CN(CCN1CC(=O)c2ccc(cc2)F)C(c3c4nccn4ccc3)=O	6707
+C1CN(CCN1CC(COc2ccc3c(nc(s3)C)c2)O)CC4CN(c5ccc(cc5)F)C(C4)=O	28
+C1CN(CCN1)CCN(C2CCc3ccc(OC)cc3C2)CCC	15
+c1cc(ccc1C=Cc2cccc(c2)-n3c(CC)c(C(=O)N4CCN(CC4)CC5CCN(CC5)C)c(CC)n3)Cl	1020
+c1cc(ccc1S(=O)(=O)C)CCCN2CC(CCC2)CN3CCN(CC3)C(=O)Nc4ccc(F)c(Cl)c4	326
+FC(F)(F)c1c(ccc(NC2CCC(CC2)OCC(=O)N3CCN(CC3)CC4Cc5ccccc5O4)c1)[N+]([O-])=O	10
+C1CN(CCN1C(=O)NC)CCC#C	2041
+C1CN(CCN1c2nc(ccc2)-c3nc4c(c(O)n3)c(OC)cc(OC)c4)CCC(=O)OC	361
+CC(C)(C)OC(=O)N1CC=C(C(c2ccc(cc2)F)C(=O)N3CCN(CC3)CCCCc4cccc5ccccc45)CC1	3437
+C1CN(CCN1C(C)=O)CCCOc2cc(OC3CCOC3)c4c(ncnc4c2)Nc5cc(c(F)cc5)Cl	319
+C1CN(CCN1C(C)=O)CCCOc2cccc3c2CCC(=O)N3	319
+C1CN(CCN1C(=O)N2CC(C(C)Oc3ccc(cn3)Cl)C(c4cc(c(Cl)cc4)Cl)C2)CCN(C)C	776
+c1cc(ccc1N2CCN(CC2)CCN(C)C)C=O	34
+C1CN(CCN1)CCN(C2Cc3cc(ccc3CC2)O)CCC	5
+C1CN(CCN1Cc2ccc3c(cc[nH]3)c2)CCN(C4Cc5cc(O)ccc5CC4)CCC	48
+C1CN(CCN1c2ccnc3c2cccc3OC)CCN(C4Cc5cc(ccc5CC4)O)CCC	264
+CC(C)(C)OC(=O)N1CCN(CC1)CCO	23
+CC(C)(C)[Si](C)(C)OCCN1CCNCC1	19
+C1CN(CCN1CCO)C2Cc3c(c(OC)c([N+](=O)[O-])cc3)CCC2	85
+C1CN(CCN1CCO)c2cc(nc(C)n2)Cl	54
+C1CN(CCN1c2ncc(s2)C(OC)=O)CCO	641
+C1CN(CCN1CCO)CCCn2c3c(nc2OC)c(nc(OCCCC)n3)N	53
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCO	1109
+c1cc(ccc1C(=O)N2CCN(CC2)CCO)C(N3CCN(CC3)c4c(NC(C)C)cccn4)=O	30
+c1cc(ccc1COC(N2C(CC(C2)SCc3ccc(cc3)OC)C(N4CCN(CC4)CCO)=O)=O)[N+](=O)[O-]	10
+c1cc(ccc1SC)CN2CCN(CC2)CCO	171
+c1ccccc1-n2c(N3CCN(CC3)CCO)c(c4c2cccc4)C=O	2646
+C1CN(CCN1CCO)c2nnc3ccc(F)cn23	3632
+C1CN(CCN1CCO)c2nc(cnc2)NC(NCC)=O	317
+C1CN(CCN1c2cc(N)ncn2)CCOC	54
+C1CN(CCN1CCc2cc(Nc3ncc4CC(c5c(cccc5)-c4n3)c6c(cccc6)F)ccc2)CCOC	123
+c1cc(ccc1Cl)N2CCC(C2=O)CN3CCN(CC3)CCOCC#C	6708
+C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F	61
+C1CN(CCN1c2nc3c(cncc3)nc2Cl)Cc4ccc(cc4F)F	1322
+C1CC(CCC1)C(C)NC(c2c3ccccc3nc(c2CN4CCN(CC4)C(=O)Cl)-c5cccs5)=O	6709
+C1CN(CCN1Cc2cncc(C(=O)OC)c2)Cc3c(cccc3)F	48
+C1CN(CCN1C(=O)ON2C(CCC2=O)=O)Cc3ccc(Cl)cc3N4Cc5ncnn5CC4	613
+FC(F)(F)c1ccc(cc1)-c2nc(CN3CCN(CC3)Cc4ccc(c(OC)c4OC)OC)c(C)n2C	879
+C1CN(CCN1C(c2cc(ccc2)OCc3ccccc3)c4ccc(cc4)Cl)Cc5cccc(c5)C	2073
+C1CN(CCN1C(c2ccccc2)=O)Cc3nc(N=C4SC(=CN4COC)Br)ccc3	115
+c1cnccc1CN2CCN(CC2)c3c(Br)cnc(N)c3[N+]([O-])=O	264
+C1CN(CCN1C)Cc2nc3c(ccc(F)c3)cc2C(C)Nc4ncnc(N)c4C#N	1022
+C1CN(CCN1c2c(cc(-c3ccnc(c3)Cl)[nH]2)C(=O)N)C(OCc4ccccc4)=O	66
+C1CN(CCN1c2c(C)cc(cn2)C)C(=O)c3ccc(cc3Cl)Br	1997
+C1CNCCN1c2c(cc(c(N)c2)N)F	0
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cc3NC(=S)Nc3c2)F	23
+C1CN(CCN1CCC#N)c2cc(ccc2OC(C)C)F	987
+FC(F)(F)CCN1CCN(CC1)c2c([N+]([O-])=O)cc(c(c2)Cl)Cl	28
+C1CN(CCN1c2c(c(C)ccc2)C)CCC3CO3	28
+CC1(C)CC(C)(C)CC(c2c(cccc2C)N3CCN(CC3)CCC)=C1	61
+C1CN(CCN1Cc2cnc([nH]2)-c3ccccc3)c4c(cc(C(=O)OCC)c(n4)C)C#N	879
+C1CN(CCN1c2ccccc2OCCC)CCCCN3C(=O)NC(=O)c4c3cccc4	53
+C1CN(CCN1c2c(COC)cccn2)C(=O)C3Oc4ccccc4OC3	58
+C1CN(CCN1c2ccc(cc2)C#N)c3c(nc(nc3C)N)N	34
+C1CN(CCN1c2c3CCC(N4c3c(C(C(C(=O)O)=C4)=O)cc2F)C)Cc5ccc(cc5)[N+]([O-])=O	131
+C1CN(CCN1c2c3ccsc3ccc2)CCCOc4n(C)nc(C(=O)OC)c4	53
+CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCN(CC2)c3c4cc(ccc4on3)F	61
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3c([nH]c2)cccn3	23
+c1ccccc1S(=O)(=O)NC(CO)C(=O)N2CCN(CC2)c3cc(C)ccc3C	10
+C1CN(CCN1)c2ccnnc2N(C)C	1288
+C1CN(CCN1c2nc(-c3ccccc3)nc(c2)NCCNC(=O)C)C(=O)c4nc5ccccc5cc4	147
+C1CN(CCN1Cc2cc(cc(OC)c2O)[N+]([O-])=O)c3cc(O)ncn3	48
+C1CN(CCN1c2cc(ncn2)O)Cc3ccccc3C	48
+CC(C)(C)OC(N1CCN(CC1)c2cc([N+]([O-])=O)ccc2OC)=O	23
+c1cc(ccc1)C(c2ccccc2)CCN3CCN(CC3)c4cc(ccc4)C(=O)OCC	28
+C1C(CO1)N2CCN(CC2)c3ncc(-c4nc(OC(C5CNC(=O)C5)C)c6c(c4)ncn6C)cc3	85
+C1CN(CCN1)c2c(N)cc(cc2)C(=O)c3ccccc3C(=O)OC	0
+C1CN(CCN1Cc2cc(OCC)c3c(NC(C(O3)C)=O)c2)c4c(cc(C(NC5CC5)=O)cc4)C	48
+CC(C)(C)n1c(cc(CCCN2CCN(CC2)c3ccc(c(c3)C)C)n1)-c4ccc(cc4)Cl	61
+C1CN(CCN1c2cc(OC)c(cc2)Nc3nc(-c4n5c(cccc5)nc4)c(cn3)Cl)C(CC)=O	58
+FC(F)(F)CCN1CCN(CC1)c2ccc(cc2)-c3cccc4c3-c5nc(N)nc(-c6ccc(cc6)F)c5C4=O	183
+c1cc(ccc1N2CCN(CC2)Cc3cc(OC(F)F)c4OC(C(=O)Nc4c3)C)C(NC)=O	48
+C1CN(CCN1CCC#N)c2ccc(cc2)OC	987
+c1cc(ccc1N2CCN(CC2)C(=O)CCCc3c[nH]c4c3cccc4)OC	10
+c1cc(ccc1N2CCN(CC2)C(=O)NCCN(C)C)OC	6710
+c1cc(ccc1OC)N2CCN(CC2)c3ccc(cc3)[N+]([O-])=O	202
+C1CN(CCN1c2ccncc2)c3ccc(cc3)OC	264
+C1CN(CCN1c2ccc(cc2)OCCOC)CCN3C4N=C5N(N)C=NC(=C5N4N(C)C3=O)c6ccco6	236
+CC1(C)Cc2c(C)c(N3CCN(CC3)c4c(OC)cc(OC)cc4)c(c(C)c2O1)C	79
+C1CN(CCN1C(OCC(=O)OCC)=O)c2ccc(cn2)Br	2655
+C1CN(CCN1c2ccc3cc(OC)ccc3n2)CC4Oc5c(ccc6c5ccc(C)n6)OC4	2510
+c1cc(ccc1)-c2ccccc2CN3CCN(CC3)c4cc(ccc4)C	3910
+CC(C)(C)OC(N1CC(CC1C(N2CCN(CC2)c3nc(ccc3)C)=O)CCNC(=O)C=C)=O	10
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2nc(ccc2)C)CCCCNC(C=C)=O)=O	10
+C1CN(CCN1CCCCOc2ccc3c(c2)NC(CCC3(C)C)=O)c4c(Cl)c(ccc4)Cl	28
+C1CN(CCN1c2c(Cl)c(ccc2)Cl)CC#N	1321
+c1ccccc1-n2c3c(c(ncn3)NCCCN4CCN(CC4)c5cccc(Cl)c5Cl)nc2-c6ccccc6	61
+C1CN(CCN1c2cc(ccc2)[N+](=O)[O-])CCC(OCC)=O	1877
+C1CN(CCN1c2cc(ccc2)[N+](=O)[O-])C(=O)c3ccccc3	115
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(c2)Br	23
+C1CN(CCN1C(=O)c2c([nH]cc2)-c3ccccc3)c4cccc(C#N)c4	211
+C1CN(CCN1c2cc(Cl)ccc2)C(c3c(C)c4c(ncnc4s3)O)=O	867
+C1CN(CCN1c2cccc(Cl)c2)CCCC(=O)c3cc4CCC(Nc4cc3)=O	53
+C1CN(CCN1CCCNC(=O)OCc2ccccc2)c3cccc(Cl)c3	28
+C1CN(CCN1CCC2CC(Nc3ccccc23)=O)c4cccc5c4cc(cc5)OC	53
+C[Si](C)(C)CCOCn1c2nc(nc(O)c2cc1)N3CCN(CC3)c4c(F)cccc4	117
+C1CN(CCN1c2c(cccc2)F)C(c3c4ccc(Cl)cc4[nH]c3)=O	211
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(O)cccc2	23
+C1CN(CCN1C(OCC(=O)OCC)=O)c2cnc(Br)cc2	2655
+C1CN(CCN1C(c2cc(C=C3SC(N4CCSCC4)=NC3=O)ccc2)=O)c5cccc(n5)Cl	30
+C1CN(CCN1Cc2nccc(OC)n2)c3nc4N(CCCc4c(O)n3)C	566
+C1CN(CCN1Cc2ncc(cc2F)F)c3nc4N(CCCc4c(O)n3)C	1309
+c1ccccc1CC(=O)N2CCN(CC2)c3ccc(c(Nc4ccc(cc4)C(N5CCOCC5)=O)n3)C(=O)N	58
+c1cnccc1-c2cc3[nH]c4c(c3c(c2)OC)nc(N5CCNCC5)nc4OCC	6711
+C1CNCCN1c2nc3ccc(Cl)cc3c4n2nnn4	6712
+C1CN(CCN1C(Nc2nnccc2)=O)c3ccnc(n3)-c4c(F)c(ccc4)F	2076
+C1CN(CCN1Cc2ccc[nH]2)c3ncc(cc3)NC(c4cccc(c4-c5ccc(cc5)C(C)C)C)=O	315
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3ccc([N+]([O-])=O)cn3	115
+c1cc(ccc1F)-c2nc(n(CC(=O)N3CCN(CC3)c4cc(OC)ccn4)n2)-c5ccc(cc5)F	10
+C1COC2(O1)CCCC(C(N3CCN(CC3)c4ncccc4)=O)C2	10
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCN3CCN(CC3)c4ncccc4)OC)OC	183
+C1CN(CCN1c2ncccc2)Cc3cc4ccc(C)cc4cc3	171
+c1cc(ccc1CO)N2C=C(C(OCC)=O)C(c3cc(c(c(Cl)c23)N4CCN(CC4)c5ccccn5)F)=O	34
+C1CN(CCN1c2ncccc2C(OCC)=O)CC3Oc4c(OC3)ccc(c4)F	236
+CC(C)(C)OC(NC(Cc1ccc(c(F)c1)Cl)C(N2CCN(CC2)c3c4c(ncn3)CSC4CC)=O)=O	10
+FC(F)(F)c1ccc(cc1C(N2CCN(CC2)c3ccc4nc(C(=O)OCC)cn4n3)=O)F	115
+C1CN(CCN1c2nnc(C(NCCC3CC3)=O)cc2)C(c4ccccn4)=O	147
+c1cc(ccc1)C(=O)N2CCN(CC2)c3nnc(C(NCCC4CC4)=O)cc3	115
+C1CN(CCN1C(=O)C(c2c[nH]c3c(Cl)ncc(OC)c23)=O)c4nnnn4-c5ccccc5	3911
+C1CN(CCN1C(=O)C(c2c[nH]c3c(ncc(F)c23)Br)=O)c4nnnn4-c5ccccc5	3911
+C1CN(CCN1c2noc3c2cc(cc3)C)CCN4C=Nc5c(c6CCN(Cc6s5)C)C4=O	53
+C1CN(CCN1c2oc(nn2)C3CCC4N(C(=O)N3C4)OCc5ccccc5)C	1022
+O=S(=O)(c1cccs1)N2CCN(CC2)c3sc(cn3)C(OC)=O	1147
+C1CN(CCN1C(C(c2c[nH]c3c(ncc(F)c23)-c4[nH]nc(C(OCC)=O)c4)=O)=O)c5nnnn5-c6ccccc6	6713
+C1CN(CCN1C(C(c2c3c(F)cnc(-n4nc(C)cc4)c3[nH]c2)=O)=O)c5nnnn5-c6ccccc6	6714
+C1CNCCN1c2ccc(cc2)N3C4CN(CC4CC3)C	526
+c1cc(ccc1CCc2ncc(cc2)N3CCN(CC3)C(=O)C)CN=[N+]=[N-]	1298
+C1CN(CCN1C(=O)C)c2ccc(nc2)CCc3ccc(cc3)CCl	229
+c1cc(ccc1)N2CCN(CC2)C(C3N(CC(OC)CC3C(=O)NO)C(=O)OC)=O	909
+c1cc(ccc1Cl)-c2n(C)c3ccc(cc3c2CCC(=O)N4CCN(CC4)c5c(OC)cccc5)Cl	144
+C1CN(CCN1C(=O)CN2c3c(OC2=O)cc(cc3)C#N)c4ccc(Cl)c(c4)OC	6715
+c1cc(ccc1F)N2CCN(CC2)C(Cn3cc(C(OCC)=O)cn3)=O	1114
+FC(F)(F)C(F)(F)C(F)(F)c1nn(CC(N2CCN(CC2)c3ccc(cc3)F)=O)c(C)c1N	1114
+c1cc(ccc1-c2c(Cl)c(nn2CC(N3CCN(CC3)c4ccc(cc4)F)=O)SC)F	1114
+c1cc(ccc1F)N2CCN(CC2)C(Cn3nccc3)=O	1114
+C1CN(CCN1C(CN2c3c(OC2=O)cc(-c4ncon4)cc3)=O)c5ccc(Cl)c(c5)OC	3912
+C1CN(CCN1C(=O)CN2c3c(OC2=O)cc(C(N)=NO)cc3)c4ccc(Cl)c(c4)OC	253
+C1CN(CCN1C(=O)CN2c3c(OC2=O)cc(OCC(=O)O)cc3)c4ccc(Cl)c(c4)OC	3
+c1cc(ccc1)CN2CCN(CC2)C(=O)Nc3nccc(c3)Oc4cnc([N+](=O)[O-])cc4	2077
+C1CNCCN1C(=O)Nc2c(cccc2)C(OC)=O	25
+C1CN(CCN1)C2Cc3cc(ccc3Sc4ccccc24)C	215
+c1cc(ccc1F)C(N2CCN(CC2)C(C)C)CN3CCN(CC3)C(OCC)=O	1148
+c12c(nc(n1)N3CCNCC3)ccccc2	215
+C1CNCCN1c2scc(n2)-c3ccccc3F	62
+C1CN(CCN1C(OCC2N(C)CCOC2)=O)c3ccc(F)cc3F	2078
+C1CN(CCN1c2ncc(cc2C3CC3)C4CC4)C(c5ccc(cc5S(=O)(=O)C)N6C(=O)OCC6)=O	2663
+C1CN(CCN1C)Cc2ccc([N+](=O)[O-])c(c2)[N+](=O)[O-]	162
+c1cc(ccc1C(OC)=O)C(=O)N2CCN(CC2)c3c(cccn3)NC(C)C	2392
+C1CN(CCN1C(c2ccc(cc2)N)=O)C	0
+c1cc(ccc1)C(=O)N2CCN(CC2)c3cc(c(C(=O)O)cc3)NCc4ccccc4	208
+C1CN(CCN1C(=O)c2ccccc2)c3ccc(C(=O)O)c(N)c3	0
+c1cc(ccc1)CN2C(=O)C(=C(c3cc(F)cnc23)N4CCN(CC4)C(=O)c5cccs5)C(OCC)=O	6716
+C1CN(CCN1C(c2c3c(cc(cc3)Cl)n(c2)CCNS(=O)(=O)C)=O)c4c(cccc4)F	111
+C1CN(CCN1C(C(CCCC(O)=O)NC(=O)c2ccc(cc2)F)=O)C	4
+c1cc(ccc1F)C2CC2NC(CCCC(NC(=O)c3ccc(cc3)F)C(=O)N4CCN(CC4)C)=O	9
+c1cc(ccc1C2C(NC(=O)CCCC(NC(=O)c3ccc(cc3)F)C(N4CCN(CC4)C)=O)C2)OC	9
+C1CN(CCN1C(C(c2c[nH]c3c(ncc(F)c23)-c4cc(n[nH]4)C(=O)O)=O)=O)c5nnnn5-c6ccccc6	6
+C1CN(CCN1CC(c2ccc(cc2)F)C=3CCN(C)CC=3)CCCCc4cccc5ccccc45	6717
+C1CN(CCO1)c2nc(nc3ccc(CN4CCN(CC4)C(C)(C)C(N)=O)nc23)-c5cnc(N)cc5	6718
+C1CN(CCN1C(C)=O)C(c2cc(ccc2)-c3c4cc(-c5cc(c(nc5)OC)C#N)ccc4ncn3)=O	391
+C1CN(CCN1C(C)=O)CCCOc2cc3c(c(ncn3)Oc4ccc5[nH]ccc5c4F)cc2OC	185
+C1CN(CCN1Cc2c(c(ncc2)N)C)C(C)=O	2664
+C1CN(CCN1C(C)=O)c2cc(C)c(N)c(c2)N	0
+C1CN(CCN1C(=O)C)c2cc3c([nH]c(-c4c(c5ccccc5nc4Cl)Cl)n3)c(C)c2	1637
+CC(C)(C)OC(=O)NCCNC(c1cc(-c2sc(Nc3nccc(N4CCN(CC4)C(=O)C)c3)nc2)cnc1)=O	56
+C1CNCCN1c2cc(c(NS(=O)(=O)C)cc2)C	526
+C1CN(CCN1C(C)=O)c2c(c(OC)c([N+](=O)[O-])cc2)OC	57
+C1CN(CCN1c2cc(C#N)c(cc2)Nc3nc(-c4n5c(cccc5)nc4)c(Cl)cn3)C(C)=O	55
+C1CN(CCN1c2cc(OC)c(cc2)Nc3nc(-c4n5c(cccc5)nc4)c(cn3)Cl)C(C)=O	55
+C1CN(CCN1C(C)=O)c2cnc(N)cc2	161
+FC(F)(F)c1cc(CC(Nc2ncc(N3CCN(CC3)C(C)=O)cc2)=O)ccc1Br	142
+FC(F)(F)c1c(-c2ccnc(c2)C)ncc(CC(Nc3ncc(N4CCN(CC4)C(C)=O)cc3)=O)c1	6719
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)I)=O	142
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(Nc3ncc(N4CCN(CC4)C(C)=O)cc3)=O	372
+c1cc(ccc1Nc2c3nccn3c(cn2)Br)N4CCN(CC4)C(C)C	1638
+C1CN(CCN1C(C23CCC4(C5(C)CCC6C(CCC(O)C6(C)C)(C5CCC4C2C(C(C)=C)CC3)C)C)=O)CC	59
+C1CC1CN2CCN(CC2)c3c(OC)ccc(N)c3	15
+C1CN(CCN1C(C2CCOCC2)=O)Cc3ccc4CN(CCc4c3)C(=O)COc5cnccc5	10
+C1CN(CCN1C)C(=O)CCc2cccc(c2)O	1320
+C1CN(CCN1C(c2cc(F)c(c(F)c2)F)=O)C(=O)CC(=O)O	3
+C1CN(CCN1C2CCC2)C(=O)CN3CCc4nc(O)ccc4C3	224
+C1CN(CCN1C(=O)CN2c3c(cc(cc3)OCC(OCC)=O)OC2=O)c4ccc(Cl)c(c4)OC	1845
+C1CN(CCN1)C(=O)CNC(=O)c2ccc(cc2)Oc3ccccc3	25
+C1CN(CCN1C(COC)=O)c2c3c(c(Cl)cc2C(N)C)cccn3	1354
+C1CN(CCN1C(COc2ccc(cc2)Cl)=O)C(C=3N(c4ccccc4OCC)C(=O)c5ccc(N)cc5N=3)C	0
+C1CN(CCN1C(COc2ccc(cc2)Cl)=O)C(C=3N(C(c4ccc(cc4N=3)NC(=O)C)=O)c5ccccc5OCC)C	125
+FC(F)(F)c1ccc(cc1)-c2cnc(N3CCN(CC3)C(OCC(OCC)=O)=O)cc2	89
+FC(F)(F)c1cc(-c2ccc(cn2)N3CCN(CC3)C(OCC(=O)OCC)=O)ccc1	119
+C1CN(CCN1C(OCC(NC)=O)=O)c2cnc(Br)cc2	271
+C1CN(CCN1C(OCC(C)C)=O)c2c3c(nc(-c4c(O)cccc4)n2)ccs3	5
+CC(C)Cc1ccc(N2CCN(CC2)C(OCC(NC)=O)=O)cn1	6720
+C1CN(CCN1c2ncc(cc2)N)C(OCC(NC)=O)=O	13
+C1CNCCN1C2c3cc(SC)ccc3Sc4c(ccc(OC)c4)C2	215
+C1CN(CCN1)CCCCCCCCCC	215
+C1CN(CCN1)CCCCCCCCCCCCCCC	215
+C1CN(CCN1C(=O)CN)C(OCCCC)=O	334
+c1cc(ccc1)COC(N2CCN(CC2)C(C(NC(c3cc4ccccc4s3)=O)CC(C)C)=O)=O	1816
+C1CC1C(=O)N2CCNCC2	62
+C1CN(CCN1)CC2CN(CCC2)CCCc3ccc(cc3)S(=O)(=O)C	62
+C1CN(CCN1c2c(cc([N+](=O)[O-])c(c2)NC(=O)c3ccc(cc3)OC)Cl)C(c4c(C)onc4-c5ccccc5OC)=O	50
+c1cc(ccc1)-c2ncc(NC(CC(=O)N3CCN(CC3)C(c4cc(F)c(c(F)c4)F)=O)=O)cc2	6721
+C1CN(CCN1C)C(=O)c2ccc(cc2)NC(=O)Nc3ccc(cc3)Br	124
+C1CN(CCN1C(c2ccc(cc2)Nc3nc(-c4ccc(F)cc4F)ccc3C(=O)N)=O)C	140
+c1cc(ccc1)C(N2CCN(CC2)CC(O)=O)=O	3
+C1CN(CCN1C=2c3c(cccc3)N(C(=O)C=2C#N)c4ccccc4)C(c5cccs5)=O	6722
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)C	17
+C1CC(CCC1)C(=O)N(CC2=Cc3ccccc3N(C)C2=O)CC4(N5CCN(CC5)C)COCCCC4	2614
+C1CN(CCN1C)C2CCC(CC2)n3cc(I)c4c3ncnc4N	869
+C1CN(CCN1C)C2CCC(CC2)n3c4ncnc(N)c4c(-c5c(cc(cc5)Oc6ccccc6)C)c3	1311
+c1nc(ncc1Br)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C	55
+C1CN(CCN1C)CC#Cc2cc3c(c(cnc3s2)C#N)Nc4cc(c(Cl)cc4Cl)OC	1990
+C1CN(CCN1CC(NN)=O)C	561
+C1CN(CCN1C)CC(OC)CNC(c2ccc(c3c2CCO3)Nc4nc5c(cn4)N(C)C(C(CC)N5C(C)C)=O)=O	14
+FC(F)(F)c1ccc(cc1)OC(c2ccccc2)CN3CCN(CC3)C	20
+C1CN(CCN1CCC2CC(CCC2(C3C(C4C(C(=C)CC4)(CC3)C)OC(=O)C)C)O)C	59
+Clc1cccc(Cl)c1-c2cc3c(nc(nc3)NCCCN4CCN(CC4)C)nc2N	6723
+C1CN(CCN1C)CCCNC(c2cc(Br)ccc2)=O	93
+c1cc(ccc1NCCCN2CCN(CC2)C)[N+](=O)[O-]	60
+c1cnccc1NC(c2cc(Nc3cccc(c3)C(NCCCN4CCN(CC4)C)=O)ccc2)=O	230
+c1cc(ccc1C)S(=O)(=O)OCCCN2CCN(CC2)C	36
+C1CN(CCN1C)CCCOc2ccccc2Nc3c4c(n(cn4)C5CCCC5)nc(C#N)n3	738
+C1CN(CCN1C)CCCc2c3CCCCc3[nH]c2C=C4C(=O)Nc5ccc(cc45)S(=O)(=O)CC	6724
+C1CN(CCN1C)CCNCc2c(N)ncc(c2)Br	249
+CC(C)(C)OC(=O)C=Cc1cnc2NC(=O)N(Cc2c1)CCN3CCN(CC3)C	1953
+C1CN(CCN1C)CCN2C(=O)Nc3ncc(Br)cc3C2	6725
+FC(F)(F)c1ccc(Cn2c3cccc(c3cn2)NC(=O)c4cnc5cc(OCCN6CCN(CC6)C)ccn45)nc1	466
+C1CN(CCN1Cc2ccc(N)c([N+](=O)[O-])c2)C	0
+C1CN(CCN1C)S(=O)(=O)c2cc(cs2)-c3c(nc(N)s3)C	1176
+C1CN(CCN1Cc2c(ccc(N)c2)N3CCN(CC3)C)C	0
+C1CC1N2c3c(cc(c(N4CCN(CC4)C)c3)F)C(=CC2=O)CO	6726
+O=S(=O)(Cc1c([N+](=O)[O-])c(N2CCN(CC2)C)cc(Cl)c1)c3ccc(cc3)F	1177
+C1CN(CCN1C)c2c3nc(-c4[nH]nc5c4ccc(Br)c5)[nH]c3ccc2	567
+CC(C)(C)OC(N1CCN(C(C)C1)c2ncc(c(OCCN3CCOCC3)c2)Br)=O	6727
+C1CN(CCN1C)c2cccc3OCC(Cc23)NC(=O)c4ccc(cc4)N5CCN(CC5)C(=O)C	58
+C1CN(CCN1c2nc(N)nc(N3Cc4c(ccc(Br)c4)CC3)c2)C	54
+c1cc(ccc1CNc2nc(F)cc(N3CCN(CC3)C)c2)OC	182
+C1CN(CCN1C)c2cc3c(cc2F)NC(=S)N3	1357
+FC(F)(F)C1(CC1)C(=O)NCc2cc(Nc3nc4c(cc(c(Cl)c4)N5CCN(CC5)C)n3C)c(cc2)Cl	1023
+CC(C)(C)OC(Nc1cccc(N2C(C(=Cc3c2nc(Nc4ccc(N5CCN(CC5)C)cc4OC)nc3)CC)=O)c1)=O	2607
+C1CN(CCN1C)c2ccc(Nc3nc4c(cccc4Br)cn3)c(OC)c2	744
+C1CN(CCN1C)c2cc3c(c(c2)F)C(=O)OC(Cc4ccc5OCOc5c4)=N3	2665
+C1CN(CCN1C)c2ccc(c(-c3ccccc3F)c2)NC(c4oc(cc4)C#N)=O	6728
+C1CN(CCN1c2ncc([N+]([O-])=O)c(Cl)c2)C	120
+c1c(F)cc(cc1Cc2ccc3c(c(NC(=O)c4c(cc(N5CCN(CC5)C)cc4)[N+]([O-])=O)[nH]n3)c2)F	394
+C1CN(CCN1c2cc(N3CCCC(F)C3)c(cc2)N)C	0
+C1CN(CCN1c2cc(cc(c2)Cl)C(=O)O)C	329
+c1nc(ncc1C#Cc2cccc(NC(=O)Nc3cc(cc(F)c3)N4CCN(CC4)C)c2)N	446
+CC1(C)OB(OC1(C)C)c2cccc(N3CCN(CC3)C)c2	2666
+c1cc(ccc1-c2ccc(nc2)N3CCc4ccc(cc4C3)-c5nc(N)nc(N6CCN(CC6)C)c5)C#N	361
+C1CN(CCN1C)c2cc3c(c(c2)C#N)N=CN(c4cc(ccc4C)C(=O)Nc5ccon5)C3=O	650
+C1CN(CCN1C)c2cc3c(c(c2)C#N)N=CN(C3=O)c4c(C)ccc(C(O)=O)c4	1
+c1cc(ccc1)-c2cc3c4ccc(N5CCN(CC5)C)cc4[nH]c3c(c2)C(=O)N	11
+FC(F)(F)COc1ccnc(CSc2nc3cc(N4CCN(CC4)C)c(F)cc3[nH]2)c1C	602
+O=S(=O)(Nc1cc(N2CCN(CC2)C)ccc1Br)c3ccc4ccccc4c3	69
+C1CN(CCN1C)c2ccc(c(OC)c2)Nc3ncc4cccc(-c5cccc(N)c5)c4n3	3738
+C1CN(CCN1C)c2cc(c([N+](=O)[O-])cc2)-c3ccccc3F	11
+C1CN(CCN1c2ccc(c(c2)CS(=O)(=O)c3cccc4ccccc34)N)C	0
+C1CN(CCN1C)c2ccc(cc2C=C)Nc3ncc(c(n3)Nc4c(N(S(=O)(=O)C)C)ccc(Br)c4)Cl	55
+C1CN(CCN1C)c2ncc(cc2)C(=O)NCc3ccccc3	56
+C1CN(CCN1C)c2ccc3c(c2)C(=O)N(C=C3)c4c(C)ccc(C(O)=O)c4	1
+C1CN(CCN1C)c2ccc3c(c2)c(c(C#N)c(n3)N)Cl	120
+C1CN(CCN1c2cc3c(NCc4ccccc4)c(c(N)nc3cc2)C#N)C	105
+C1CN(CCN1C)c2cccc3OCC(Cc23)NC(=O)c4ccc(cc4)N5CCN(CC5)Cc6ccccc6	14
+C1CN(CCN1C)c2c3CC(COc3ccc2)NC(=O)c4ccc(cc4)N5CCNCC5	25
+C1CN(CCN1C)c2cc(nc(N)n2)N3Cc4cc(-c5cc6N(C(COc6cc5)=O)C)ccc4CC3C	99
+C1CN(CCN1c2cc3n(c(CC)n2)c(CC)nn3)C	6729
+C1CN(CCN1C)c2nc3c(C(C(C(OCC)=O)=CN3CCCl)=O)cn2	1307
+C1CN(CCN1C)c2ccc(cn2)C(O)=O	1
+C1CN(CCN1C=2c3c(Nc4ccc(cc4N=2)CN)sc(c3)C)C	107
+C1CN(CCN1C2CC(C2)c3n4ccnc(N)c4c(n3)I)C(=O)C	522
+C1CN(CCN1C)C2CC(C2)c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4F)c7n3ccnc7N	6730
+O=S(=O)(C)c1cccc(-c2sc3CN(CC(N4CCN(CC4)C5CCC5)=O)CCc3n2)c1	1241
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CCN(CC3)C4CCCC4	372
+C1N(CC1N2CCN(CC2)C(=O)c3sccn3)C(=O)c4cc5CCN(c6ccc(cc6)F)c5cc4	30
+c1cc(ccc1C(N2CC(C2)N3CCN(CC3)C(=O)c4sccn4)=O)Oc5ccccn5	30
+C1CN(CCN1C2COC2)c3c(F)cc(cc3)Nc4nc(ncn4)-c5cc(C#N)c(OC6CCOCC6)cc5	2079
+C1CN(CCN1C2COC2)c3ccc(N)cc3F	0
+C1CN(CCN1C2COC2)c3c(F)cc(Nc4nc(Cl)ncn4)cc3	360
+c1cc(ccc1N2CCN(CC2)C3COC3)Nc4nc(Cl)ncn4	360
+C1CN(CCN1)C2c3c(ccc(C)c3)Oc4ccc(C)cc4C2	215
+C1CN(CCN1C=2c3c(Nc4c(cc(cc4)CNC(=O)CCC(O)=O)N=2)sc(c3)C)C	4
+C1CN(CCN1C2c3c(ccc(C)c3)Oc4c(cc(cc4)C)C2)C(OCC)=O	6731
+C1CN(CCN1CC#CC(=O)Nc2cc3c(ncnc3cc2)Nc4cc(ccc4)Br)CC	2355
+C1CN(CCN1CCN)Cc2n(CCOCC)c3ncccc3n2	51
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)C(CN3CCN(CC3)Cc4ccccc4)=O)=O	10
+C1CN(CCN1CC(O)c2cc(c(OC)cc2)OC)C=3C(C=CC=CC=3)=O	74
+C1CN(CCN1c2cccc3nc(C)ccc23)CC(C)c4cc(NC(=O)c5c(F)cccc5)ccc4	67
+C1CN(CCN1CC(O)CN)C	102
+C1CN(CCN1CC(COc2cc3ncnc(O)c3cc2OC)OC(=O)C)C	152
+C1CN(CCN1CC(COc2cc3ncnc(Cl)c3cc2OC)OC(=O)C)C	569
+CN(C)C(CN1CCN(CC1)c2cc(OC)c(cc2N)Nc3nc(-c4c5n(nc4)cccc5)c(cn3)Cl)=O	0
+C1CN(CCN1CC2CO2)C(C3CCCO3)=O	2080
+C1CN(CCN1CC(O)CNC(=O)c2ccc(c3OCCc23)Nc4nc5c(cn4)N(C)C(C(CC)N5C(C)C)=O)C	14
+C1CN(CCN1CC(c2ccc(cc2)OC)O)c3nc(-c4ccc(cc4)Cl)ns3	74
+c1cc(ccc1C(F)CN2CCN(CC2)c3nc(-c4ccc(cc4)Cl)ns3)OC	3913
+C1CN(CCN1CC#CC(O)=O)CC	3914
+C1CN(CCN1CC)CC(=O)Nc2nccc(c2)Oc3cc(N)c(NC)cc3	0
+C1CN(CCN1CC)Cc2c(cc(C(=O)O)cc2)C	1
+C1CN(CCN1CC)S(=O)(=O)c2cnc(OCC)c(C3Nc4c(n(Cc5ccccn5)nc4C(=O)N3)CC)c2	6732
+C1CN(CCN1S(=O)(=O)c2cnc(c(C(=O)OCC)c2)OCC)CC	91
+C1CN(CCN1CC)c2cccc(Cl)c2CO	41
+C1CN(CCN1CC)c2cccc(Cl)c2CSc3nc(cc(n3)C)O	2667
+C1CN(CCN1CC)c2cc(C#N)c3c(C(N(c4cc(ccc4C)C(=O)Nc5ccon5)C=N3)=O)c2	650
+C1CN(CCN1CC)c2cc(C#N)c3c(C(N(C=N3)c4c(C)ccc(C(O)=O)c4)=O)c2	1
+C1CN(CCN1CC)c2cc(C)c3c(n2)ccc(c3)N	0
+C1CN(CCN1CC)c2nc3c(cc(cc3)[N+](=O)[O-])c(C)c2	31
+C1CN(CCN1c2nccc(N)c2)CC	0
+C1CN(CCN1c2cc(ccc2OC(C)C)F)CCCN	51
+C1CN(CCN1CCCN)c2ccc(cc2)OC	51
+C1CN(CCN1c2ccccc2OC)CCCN	51
+c1cc(ccc1)C(C(O)C2CCCCC2)CCN3CCN(CC3)c4ccccc4OC	100
+C1CCC(C1)(CN2C(=O)CCC2)CCN3CCNCC3	25
+C1CC(CCC1)CN2C(CCN3CCN(CC3)c4cc(N)ccc4)=NNC2=O	0
+C1CC(CCC1)CN2C(CCN3CCN(CC3)c4cc(ccc4)[N+](=O)[O-])=NN(C2=O)C	2668
+C1CN(CCN1CCC2C(C3CCC4(C(CCC4=C)C3O)C)(CCC(O)C2)C)C	59
+C1CN(CCN1c2cccc(Cl)c2)CCC=Cc3ccc4c(c3)CCC(N4)=O	1358
+C1CN(CCN1c2ccc(cc2)OCCF)CCCCc3c4c([nH]c3)cccc4	267
+C1CN(CCN1CCCCc2c3c([nH]c2)cccc3)c4ccc(cc4)O	5
+c1cc(ccc1CC#N)NCCCN2CCN(CC2)C=O	1350
+C1CNCCN1CCCNC(C2CCCCC2)=O	25
+C1CN(CCN1C(C)=O)CCCOc2cc3c(cc2OC)c(Cl)ncn3	126
+C1CN(CCN1CCCO)CCNCCCCCCC	15
+C1CN(CCN1CCCO)CCN(CCCCCCC)C(=O)Nc2c(cc(nc2SC)C)SC	437
+c1ccccc1C(=O)Nc2sc3cc(ccc3n2)Nc4c5c(cc(OC)c(c5)OCCCN6CCN(CC6)C)ncn4	73
+C1CN(CCN1CCCOc2ccc(c(N)c2)[N+]([O-])=O)C	3915
+C1CN(CCN1C)CCCOc2ccc(c(N)c2)N	0
+C1CN(CCN1CCCOc2ccc(cc2)-c3c(Cl)cc4c(c(C(O)=O)c[nH]4)c3)C	1
+C1CN(CCN1CCF)c2cnc(cc2)NC3=CC(=CN(C3=O)C)Br	523
+C1CN(CCN1CCF)c2ccc(N)nc2	161
+C1CN(CCN1CCN=C=S)Cc2n(CCOCC)c3ncccc3n2	985
+CC(C)(C)n1nc(cc1CC(C)C)CNCCN2CCN(CC2)c3c(C)cc(C)cc3	294
+C1CN(CCN1Cc2n(CCOCC)c3ncccc3n2)CCNC(=S)Nc4cnccc4N	3902
+CC(C)(C)OC(=O)N(CCCCCCC)CCN1CCN(CC1)CCO	23
+C1CN(CCN1CCO)C2Cc3ccc(N)c(OC)c3CCC2	0
+C1CN(CCN1CCO)CCCN2C(Nc3c2nc(OCCCC)nc3N)=O	1604
+CC(C)(C)[Si](C)(C)OCCN1CCN(CC1)c2cc(nc(C)n2)Cl	19
+c1cc(ccc1N2CCN(CC2)CCCl)[N+]([O-])=O	1518
+C1CN(CCN1c2cncc(NC(NCC)=O)n2)CCOC(Nc3c(cccc3)OCC)=O	589
+CC(C)[Si](C(C)C)(C(C)C)OCCN1CCN(CC1)c2nnc3ccc(F)cn23	655
+C1CN(CCN1CC(=O)O)CCOc2c(cc3c(c(Nc4cc(ccc4)Br)ncn3)c2)OC	3
+C1CN(CCN1CCOc2ccc3OCC(N(C)c3c2)=O)c4c5c(nc(cc5)C)ccc4	239
+C1CN(CCN1c2nsc3c2cccc3)CCc4c(cccc4)N	0
+C1CN(CCN1CCc2ccc(cc2)Cl)C(c3ccc(cc3)NC(=O)C=C)=O	6733
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+c1cc(ccc1NC(=O)c2cn(nc2N)-c3nc(ccn3)-c4ccc(cc4)N(C)C)CCN5CCN(CC5)C	3737
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+C1CN(CCO1)CCc2cn(CC)c3cc(cc(O)c23)F	15
+C1CN(CCO1)C(=O)N2CCN(CCC2)c3nc(N)c4c(n3)cc(OC)c(O)c4	16
+FC(F)(F)c1c(NC)nc(nc1)Nc2c(cc(C(=O)N3CCOCC3)c(C)c2)Cl	55
+FC(F)(F)c1ccc(Nc2c3ccn(C)c3c(cn2)C(=O)N4CCOCC4)c(C)c1	1504
+C1CN(CCO1)C(=O)c2c(cc(N)c(Cl)c2)C	0
+C1CN(CCO1)Cc2ccc(-c3cc(-c4nnn(c4)C(C)C)c(nc3)N)cc2C	162
+C1CN(CCO1)C(=O)c2sc(cc2)-c3nc(ncc3)S(=O)(=O)C	528
+C1CN(CCO1)Cc2ccc(cc2)-c3[nH]c4ncc(c(c4n3)I)Cl	162
+C1CN(CCO1)C(=O)c2ccc(cc2)N=C3C(=O)N(C=C(N3)c4cccc(c4C)N)C	6754
+c1cc(ccc1Nc2c3n(ccn3)cc(-c4cc(C(=O)O)ccc4)n2)C(N5CCOCC5)=O	356
+C1COCCN1C(=O)c2c(c3c(cc(c(c3)O)O)s2)CBr	5
+CC1(C)Cc2[nH]nc(-c3cc4c(cc(N(C)C(=O)C(C)N5CCOCC5)cc4)[nH]3)c2CC1	429
+C1CN(CCO1)C(C2CN(c3c4ccccc4nc(NCc5ccccc5Sc6ccccc6CO)n3)CCC2)=O	798
+C1CN(CCO1)C(=O)CCc2ccc(c(c2)-c3nc(O)c4c(nn(CCC)c4n3)C)OCCC	1320
+CC(C)CNCC(=O)N1CCOCC1	1229
+C1CN(CCO1)C(COc2cc(ccc2)N)=O	0
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(nc4ccccc34)-c5cc(ccc5)NC(N6CCOCC6)=O)c2	2083
+CC(C)(C)OC(NCCNC(=O)N1CCOCC1)=O	2675
+C1COCCN1C(=O)Oc2c(cccc2OCC=C)C(=O)C	2047
+C1CN(CCO1)C(NC2CCCC(Nc3nc(ncc3F)-c4cn(c5ncc(cc45)F)S(=O)(=O)c6ccc(cc6)C)C2)=O	2675
+C1CN(CCO1)C(Cn2c(Br)c(c3ccc(C(=O)O)cc23)C4CCCCC4)=O	1
+C1CN(CCO1)C(Cn2c(-c3ccc(cc3)C(=O)C)c(c4c2cc(cc4)C(O)=O)C5CCCCC5)=O	2549
+C1CN(CCO1)C(=O)N2CCN(CCC2)c3nc(N)c4c(cc(c(OCc5ccccc5)c4)OC)n3	549
+C1CN(CCO1)C(NC2CCCC(Nc3c(cnc(n3)-c4c[nH]c5ncc(cc45)F)F)C2)=O	392
+FC(F)(F)c1c(NC2CC2)nc(Nc3cc(c(cc3O)C(N4CCOCC4)=O)F)nc1	55
+C1CN(CCO1)C(=O)c2sc3c(cc(c(c3)O)OC)c2CBr	5
+C1CN(CCO1)C(c2c(F)cc(c(O)c2)N)=O	5
+C1CN(CCO1)C(c2cccc(c2)-c3cc4c(c[nH]c4nc3)I)=O	1361
+c1cc(ccc1S(=O)(=O)n2cc(I)c3c2ncc(-c4cccc(c4)C(=O)N5CCOCC5)c3)C	276
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(Cl)cc(cc2)Cl)=O)N3CCOCC3	93
+C1COCCN1C2CCN(CC2F)c3cccc(-c4n(C)c5ccccc5n4)c3	79
+C1CN(CCC1N2CCOCC2)C(c3ccc(-c4ccnc(c4C#Cc5ccc(N)nc5)CC)cc3Cl)=O	30
+C[Si](C)(C)c1c(c(C=O)c(cc1F)Cl)F	3921
+O=Cc1c(F)cc(C)cc1Cl	3921
+c1cc(ccc1-c2cc(F)c(C=3[Se]C(C=O)=CC=3)cc2)CC	3606
+CC(C)(NC(Cn1c(cc(-c2cnn[nH]2)n1)Cc3ccc(cc3)F)=O)CN4CCOCC4	6755
+c1cc(ccc1-c2ccc(cc2)C(OCC)=O)C(N(C)C(=O)CN3C(COc4cc(c(Cl)cc34)Cl)=O)CN5CCOCC5	10
+FC(F)(F)c1cc(cc(NC(=O)C)c1)CCCN2CCOCC2	2676
+C1CN(CCO1)CCC(c2cc(-c3ccnc(c3)N)ccc2)=O	6756
+C1CN(CCO1)CCCCCCCCCCCCN	3922
+C1CN(CCO1)CCCCCCCCN	3922
+CC(C)(C)C1N2C(c3cc(OC)c(OCCCN4CCOCC4)cc3C1)=CC(=O)C(C(OCC)=O)=C2	72
+C1CN(CCO1)CCCOc2c(cccc2OC)C=O	72
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)OCCCN3CCOCC3	72
+C1COCCN1CCCNC(=O)c2cccc(-c3cc(-c4cc(C)c(cc4)O)nc(O)n3)c2	14
+C1CN(CCO1)CCCNc2nc3cc4c(cc3[n+]([O-])n2)OCCC4	1888
+c1c(Cl)c(c(cc1)Cl)Cc2n(c3ccccc3n2)Cc4ccc(cc4)C(NCCCN5CCOCC5)=O	14
+C1CN(CCO1)CCCNC(Nc2snc(-c3ccc(cc3)[N+](=O)[O-])c2C#N)=O	238
+c1cc(ccc1-c2c(C)ccc(NC(=O)c3ccoc3)c2)C(=O)NCCCN4CCOCC4	14
+C1COCCN1CCCN(C)Cc2ccc(c(Nc3sc(c(-c4cccc(c4)Cl)n3)C(N)=O)c2)[N+]([O-])=O	48
+C1CN(CCO1)CCCNC(Nc2snc(c2C(=O)N)-c3ccc(cc3)N)=O	0
+C1CN(CCO1)CCCNC(Nc2c(c(-c3ccc(cc3)[N+](=O)[O-])ns2)C(=O)N)=O	1856
+FC(F)(F)c1cc(c(cc1)F)NC(=O)Nc2ccc(cc2)-c3nsc(c3C(=O)N)NC(=O)NCCCN4CCOCC4	124
+C1CN(CCO1)CCCNC=2[N+](=O)c3cc4CCCOc4cc3N(N=2)[O-]	6757
+C1CN(CCO1)CCCOc2cc3ccc(C#C)cc3cc2	20
+c1cc(ccc1C)S(=O)(=O)OCCCN2CCOCC2	36
+c1ccccc1COc2ccc(cc2)-c3cc(nnc3CCCC)OCCCN4CCOCC4	485
+c1ccccc1CCNCc2c(OCCCN3CCOCC3)c(OC)ccc2	1172
+C1CN(CCO1)CCCOc2c(cc3c(c2)ncnc3N(c4ccc(F)c(c4)Cl)C(C)=O)N	0
+C1CN(CCO1)CCCOc2c(C=NCCc3ccccc3)cccc2OC	853
+C1CN(CCO1)CCCOc2c(ccc(C)c2)O	5
+C1CN(CCO1)CCCOc2cc(c(cc2)C)N	0
+C1COCCN1CCCOc2cc3c(c(Oc4cc(n[nH]4)-c5cc(c(cc5)OC)OC)ncn3)cc2OC	6758
+C1CN(CCO1)CCCOc2c([N+]([O-])=O)cc3c(N(C(C)=O)c4ccc(F)c(c4)Cl)ncnc3c2	3292
+C1CN(CCO1)CCCOc2c(c(c(cc2)C3=NCCN3)N)OC	3923
+C1CN(CCO1)CCCOc2ccc(C#N)c(N)c2OC	0
+C[Si](C)(C)c1nn(-c2ccc(cc2)OCCN3CCOCC3)c(C(=O)OCC)c1	72
+C1CN(CCO1)CCn2c3cc(Cl)ccc3cc2C	1277
+O=S1(=O)CCCN1c2ccc(cc2)-c3c(c4c(cc(OCCN5CCOCC5)cc4)n3CC)C#N	72
+C1COCCN1CCn2c(C)cc3cccnc23	3924
+C1CN(CCO1)CCOc2ccc([N+](=O)[O-])c3ccccc23	72
+C1CN(CCO1)CCOc2c(ccc([N+]([O-])=O)c2)OC	72
+c1cc(ccc1-c2cn3c4c(sc3n2)cc(cc4)OCCN5CCOCC5)[N+](=O)[O-]	72
+C1CN(CCO1)CCCn2ccc3c(N)cccc23	0
+C1COCCN1c2nc3sc4c(ncnc4NCCN5CCOCC5)c3c6CC(C)(C)N(Cc26)C	3925
+CC(C)(C)ON=C1c2c(OC(=C1)c3ncn4c(c3)ccc4)ccc(c2)C(=O)NCCN5CCOCC5	14
+C1CN(CCO1)CCN2CC(OC2=O)CO	6759
+C1CN(CCO1)CCNc2ncc3ncc(c(c3c2)Nc4cccc(C(C)C)c4)C#N	182
+C1CN(CCO1)CCNC(=O)Nc2ccc3c(c2)ccc(n3)NC4CCc5c4cccc5	675
+O=S(=O)(c1c[nH]c(C(=O)c2c(nccc2)Cl)c1)NCCN3CCOCC3	1362
+C1COCCN1CCNC(=O)c2cc(c([nH]2)C=O)C	81
+C1CN(CCO1)CCNC(c2cccc3cc(ccc23)O)=O	14
+C1CN(CCO1)CCNc2c3c(c(ccc3)-c4c(cc(cc4C)C)C)nc(C)c2	105
+c1cc(ccc1Nc2nc3c(C=C(c4c(cccc4Cl)Cl)C(N3C)=O)c(N)n2)NCCN5CCOCC5	250
+C1CN(CCO1)CCNC(=O)c2c(Nc3ccc(I)cc3F)cnc(Br)c2	14
+C1CN(CCO1)CCNc2nccn3c(cnc23)-c4nc(ccc4)Br	3926
+C1CN(CCO1)CCNC(=O)Nc2nc3c(cc(cc3)SC#N)s2	238
+c1cc(ccc1OCCNCCN2CCOCC2)Cc3ccc(cc3)-c4occn4	1918
+C1CN(CCO1)CCNC2=C(c3ccccc3)S(=O)(=O)N(CCCC)C2=O	1904
+c1nc(ncc1Br)NCCN2CCOCC2	96
+C1CN(CCO1)CCNc2ncc(cn2)NC(c3cc(ccc3C)[N+]([O-])=O)=O	6760
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CC4OC(N(CCN5CCOCC5)C4)=O	6761
+C1CN(CCO1)CCN2C(OC(COS(=O)(=O)c3ccc(cc3)C)C2)=O	6762
+C1CN(CCO1)CCNc2nc3cnc4c(c3n2C(C)COC)cc(OC)c(-c5c(noc5C)C)c4	6763
+C1CN(CCO1)CCNC(=O)Nc2nc3ccc(S)cc3s2	1180
+C1CN(CCO1)CCNC(=O)c2ccc3cc([nH]c3c2)C(=O)N4c5c(ccc([N+](=O)[O-])c5)C(CCl)C4	2677
+C1CN(CCO1)CCNC(c2cccc3c2ccc(Oc4nc(ncc4)Cl)c3)=O	185
+C1CN(CCO1)CCNc2c(cccc2C=O)F	39
+CC(C)(C)CCN=Cc1c(NCCN2CCOCC2)c(ccc1)F	853
+C1CN(CCO1)CCNc2c(CO)cccc2F	98
+CC(C)(C)OC(=O)NCCC(c1ccccc1)Nc2nccc(n2)-c3n[nH]c4nc(NCCN5CCOCC5)ncc34	435
+CC(C)(C)c1cc(no1)NC(Nc2ccc(cc2)-c3c4cnc(nc4n(C)n3)NCCN5CCOCC5)=O	446
+C1CN(CCO1)CCNc2ncc(cn2)C#Cc3c(C)ncc(c3)NC(c4cc(ccc4)C(C#N)C)=O	487
+C1CN(CCO1)CCNc2nc3n(C)nc(c3cn2)-c4ccc(cc4)N	6764
+CC(C)(C)OC(NCCC(c1cc(Cl)ccc1)Nc2nc(-c3n4ccnc(c4nc3)NCCN5CCOCC5)ccc2)=O	340
+c1cc(ccc1C(N)=O)C(=O)C=Cc2cc(-c3cccs3)c(OC)cc2OCCN4CCOCC4	307
+c1c(C)c(c(cc1-c2nc(O)c3c(OC)cc(OC)cc3n2)C)OCCN4CCOCC4	748
+C1CN(CCO1)CCOc2cc(ccc2O)[N+](=O)[O-]	5
+C1CN(CCO1)CCOc2c3ccccc3c(NC(c4cc(-c5ccc(cc5C)F)ccc4)=O)cc2	11
+C1CN(CCO1)CCOc2c3ccccc3c(NC(c4cc(-c5c(cccc5)F)ccc4)=O)cc2	11
+C1CN(CCO1)CCOc2c(O)ccc(N)c2	0
+CC(C)(C)OC(N1CC(N(c2cc(OCCN3CCOCC3)ccn2)CC1)C)=O	43
+C1CN(CCO1)CCOc2c(cc3c(c(Nc4c(cc(Cl)c(OC)c4)Cl)c(cn3)C#N)c2)F	179
+C1CN(CCO1)CCOc2ccc(NC(=O)c3cccc(c3)OC)cc2-c4ccnn4C	50
+C1CN(CCO1)CCOc2ccc(c3c2cccc3)N	0
+C1CN(CCO1)CCOc2ccc(N)cc2-c3n(C)ncc3	0
+CC(C)(C)c1cc(c(c(c1)NC(C(=O)c2c3ccccc3c(cc2)OCCN4CCOCC4)=O)OC)Cl	2678
+C1CN(CCO1)CCOc2c3ccccc3c(NC(c4cccc(Br)c4)=O)cc2	67
+C1CN(CCC1O)c2cc(C(=O)Nc3ccc(c4ccccc34)OCCN5CCOCC5)ccn2	43
+C1CN(CCO1)CCc2cc(ccc2N)C	0
+C1COCCN1CCn2c(C)c(c3ccc(cc23)Cl)C(=O)c4c5c(cccc5)c(cc4)C	787
+C1CN(CCO1)Cc2[nH]c3cccc4C5CC(CN(C#N)C5Cc2c34)COC	21
+C1CN(CCO1)Cc2[nH]c3c4c(C5CC(CO)CN(C#N)C5Cc24)ccc3	88
+C1CN(CCO1)Cc2cc(ccc2)-c3cncc4cc(oc34)C=C5C(=O)NC(=O)S5	2025
+C1CN(CCO1)Cc2cc(c([N+](=O)[O-])cc2)N	2609
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2F)CN3CCOCC3	17
+C1CN(CCO1)Cc2cc(c(cc2)N)N	0
+C1CN(CCO1)Cc2cc(-c3cncc4c3oc(C=O)c4)ccc2	2084
+C1CN(CCO1)Cc2cc3C(C(C(NCc4ccc(cc4)Cl)=O)=CN(C)c3cn2)=O	1267
+CC(C)(C)OC(N1CC(C1)Oc2cc(c(cc2)CN3CCOCC3)OC)=O	624
+c1cc(ccc1C=NNc2ccc(cc2)-c3cnco3)CN4CCOCC4	878
+C1CN(CCC1N2CCCCC2)c3ccc(cc3)CN4CCOCC4	85
+c1cc(ccc1Sc2ccc(cc2)C(=O)NC(C(O)C)C(=O)OC)CN3CCOCC3	259
+C1CN(CCO1)Cc2ccc(cc2)Sc3ccc(cc3)C(=O)O	1
+c1cc(ccc1)-c2oc(C(N3CC(C3)Oc4cc(c(cc4)CN5CCOCC5)OC)=O)nn2	3618
+c1cc(ccc1)CC(NC(=O)c2cccnc2-n3nc(CN4CCOCC4)cc3)C(=O)C(N)=O	1363
+C1CN(CCO1)Cc2ccn(-c3c(C(O)=O)cccn3)n2	6
+C1CN(CCO1)Cc2ccn(-c3c(C(=O)NC(Cc4ccccc4)C(C(=O)N)O)cccn3)n2	56
+C1COCCN1Cc2ccc(o2)C(=O)Nc3sc4c([nH]nc4n3)-c5c(cccc5)Br	6765
+C1CN(CCO1)S(=O)(=O)c2cccc(c2)C(=O)OC	47
+C1CN(CCO1)S(=O)(=O)c2cc(ccc2)C(NN=C(C)c3c(ccc(Cl)c3)Cl)=O	2085
+O=S(=O)(N1CCOCC1)c2cc(ccc2)C(NN=C(c3c(F)c(Cl)ccc3)C)=O	2085
+C1CN(CCO1)S(=O)(=O)c2ccc(cc2)C=Cc3cc(O)c(cc3)O	241
+CC(C)(C)c1cc(Nc2n(C)c3c(cc(Nc4ccnc(n4)Nc5cccc(c5)S(=O)(=O)N6CCOCC6)cc3)n2)no1	55
+C1CN(CCO1)S(=O)(=O)c2cccc(N)c2	0
+C1CN(CCO1)S(=O)(=O)c2cc(ccc2)C(NN)=O	296
+C1CN(CCO1)c2ccc(-c3nc(no3)-c4ccccc4OC)cc2C	910
+CC(C)(C)OC(N(Cc1c(ccc([N+]([O-])=O)c1)N2CCOCC2)C)=O	23
+C1COCCN1c2c(COc3cccc(O)c3C=O)cccn2	241
+C1CN(CCO1)c2c(OC)nnc(c2)Cl	485
+n1cc(cnc1C(C)Nc2nc(Nc3cc(n[nH]3)C)c(c(N4CCOCC4)n2)F)F	3927
+C1COCCN1c2c(OC(C)C)ncc(Br)c2	430
+C1COCCN1c2c(nnc(-c3c(C)ccc(c3)N)c2)OC	746
+C1COCCN1c2c(OCCOC3CCCCO3)ncc(c2)-c4c(C)ccc(c4)N	156
+C1COCCN1c2cnc(N3CCOCC3)c([N+]([O-])=O)c2	3631
+C1CN(CCO1)c2c(c(c(s2)C(O)=O)C(c3cc(c(Cl)cc3)Cl)CCO)C#N	6
+C1CN(CCO1)c2c(c(nc(-c3cc(ccc3)OCC(CNC)O)n2)NC4COCC4)C	122
+C1CN(CCO1)c2c(c(nc(-c3cc(ccc3)OCC4OC4)n2)NC5COCC5)C	72
+C1CN(CCO1)c2c(C)cc(C(O)=O)cc2	1
+C1COCCN1c2ccc(C=Cc3n[nH]c4ccccc34)cc2[N+](=O)[O-]	6766
+C1COCCN1c2c(cccc2)OCC(=O)OCC	52
+c1ccccc1Oc2nc(c(nc2)N)N3CCOCC3	6767
+C1CN(CCO1)c2c3c(c4c(sc5c(Cl)ncnc45)n2)CC(C)(C)N(C)C3	2679
+C1COCCN1c2c3ccc(-c4cccc(c4)S(=O)(=O)C)cc3nc(n2)-c5ccc(nc5)N	1323
+C1COCCN1c2nc(Cl)nc3n(c(nc23)C=O)CC	6768
+C1CN(CCO1)c2nc(nc3c2cc(cc3OCCO)-c4c(c(ccc4)NS(=O)(=O)CCC)F)-c5ccc(N)nc5	1323
+C1CC(CCN1C)N(c2sc3c(nc(-c4cnc(N)cc4)nc3n2)N5CCOCC5)C	6769
+c1cc(ccc1)OC(Nc2nc3c(OC)cnc(N4CCOCC4)c3s2)=O	810
+C1CN(CCO1)c2c3nc(CN4CCN5CCOCC5C4)n(C6OCCCC6)c3nc(Cl)n2	566
+C1COCCN1c2nc(nc3sc(C=O)cc23)Cl	968
+CC(C)(C)OC(=O)Nc1ncc(cn1)-c2nc3c(c(N4CCOCC4)n2)ncc(-c5cccc(c5)N)c3	2680
+CC(C)(C)OC(=O)Nc1ncc(cn1)-c2nc(c3ncc(cc3n2)-c4ccc(cc4)C(=O)NC5CC5)N6CCOCC6	2680
+C1COCCN1c2nc(nc3cc(sc23)CO)Cl	1364
+C1COCCN1c2c3c(cc(CN4CCC5(CC4)CNC5=O)s3)nc(Cl)n2	509
+FC(F)(F)S(=O)(=O)N1CCN(CC1)Cc2cc3c(c(N4CCOCC4)nc(Cl)n3)s2	509
+C1COCCN1c2c3sc(cc3nc(Cl)n2)CNC	1466
+C1CN(CCO1)c2nc(nc3cc(sc23)-c4cc(ccc4)C(=O)O)Cl	6770
+C1CN(CCO1)c2cc(c3c(n(c(n3)C)Cc4cc(ccc4)Cl)c2)Br	505
+C1COCCN1c2cc(B(O)O)c3c(c2)n(c(n3)CF)Cc4cccc(Cl)c4C	6771
+C1COCCN1c2nc(-c3ccccn3)nc(c2)CNC(C)C	1279
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1[N+](=O)[O-])N2CCOCC2	19
+c1cc(ccc1OC)COc2cc(cc(Cl)n2)N3CCOCC3	91
+Fc1cc(cc(F)c1N)N2CCOCC2	0
+C1COCCN1c2ccc(c(Nc3c4c(nc(-c5ccccc5F)c3C)cccc4)c2)C#N	179
+C1COCCN1c2cc(N)c(C3=NCCN3)cc2	2086
+FC(F)(F)c1[nH]c2c(c(cc(c2)N3CCOCC3)C(=O)OC)n1	1640
+C1COCCN1c2cc3c([nH]c(n3)C(F)F)c(C(=O)OC)c2	442
+C1CN(CCO1)c2ncc(I)c(N)c2	625
+C1CN(CCO1)c2c3c(nc(N)s3)c(cn2)OC	3928
+C1CN(CCO1)c2cc(c(C(=O)N)c(C)c2)S(=O)(=O)CC	2681
+c1cc(ccc1CNC(=O)c2c(cc(cc2C)N3CCOCC3)S(=O)(=O)CC)Cl	6772
+C1CN(CCO1)c2nc(c(c(c2)C(=O)OC)N)N	13
+c1cc(ccc1CNC(=O)c2c(O)cc(cc2F)N3CCOCC3)Cl	5
+C1CN(CCO1)c2cc3c(nc(C)n3Cc4cc(ccc4)Cl)c(B(OC)OC)c2	6773
+C1COCCN1c2nc(c([N+]([O-])=O)c(Cl)c2)Cl	1026
+C1COCCN1c2cc(cc(N3CCOCC3)c2)N	0
+C1CN(CCO1)c2cc(N)ccn2	0
+CC(C)(C)OC(N1CCC(CC1)(S(=O)(=O)C)c2cc(N3CCOCC3)nc(n2)Cl)=O	1365
+CC1(C)c2c(N(c3c4c(ccc(Cl)c4)nc5C(C)(C)CCc35)C1)cc(N6CCOCC6)cc2	6774
+C1COCCN1c2ccc3c(c2)N=C(N)C4CCCC34	6775
+C1CN(CCO1)c2cc3c(c4c(c(cc(-c5cnn(C)c5)n4)C(=O)N)[nH]3)cc2	6776
+C1CN(CCO1)c2cc3c(cc2)c4nc(cc(C(=O)N)c4[nH]3)-c5cc(cnc5)C	6777
+C1COCCN1c2cc3n(Cc4cc(ccc4)Cl)c(C)nc3c(B(O)O)c2	493
+C1CN(CCO1)c2cc3c(nc(C)n3Cc4cc(ccc4)Cl)c(B(OC)O)c2	493
+C1COCCN1c2cc3c(nc(C)n3Cc4cccc5c4cccc5)c(C(=O)O)c2	1
+C1CN(CCO1)c2ccc(Nc3ncc(Br)n4ncnc34)c(c2)F	6778
+C1COCCC1Oc2ccc(cc2C#N)-c3ccnc(Nc4ncc(cc4)N5CCOCC5)n3	1618
+C1CN(CCO1)c2ccc(c(c2)F)Nc3c4ncnn4c(cn3)-c5c[nH]nc5	6779
+C1COCCN1c2ccc(c(C=O)c2)[N+](=O)[O-]	494
+C1COCCN1c2c(cc(N)cc2)C	0
+C1COCCN1c2cc(C(NC)=O)c(N)cc2	0
+C1COCCN1c2ccc(OC)c3nc(-c4[nH]c5ccccc5n4)sc23	6780
+C1CN(CCO1)c2ccc(c3c2sc(NC(Cc4ccccc4)=O)n3)OC	290
+c1cc(ccc1)OC(=O)Nc2sc3c(ccc(OC)c3n2)N4CCOCC4	810
+c1ccccc1C=2CCN(CC=2)C(=O)c3cc([N+](=O)[O-])ccc3N4CCOCC4	6781
+C1CN(CCO1)c2ccc(cc2C(Cl)=O)[N+]([O-])=O	82
+c1c(OC)c(c(cc1Nc2nn3c(nc(C)c3cn2)-c4cc(Nc5cc(Cl)c(N6CCOCC6)cc5)ccc4)OC)OC	230
+C1CN(CCO1)c2ccc(cn2)Nc3c(C(N)=O)c(N)[nH]n3	6782
+C1CN(CCO1)c2ccc(cn2)Nc3[nH]nc(c3C(N)=O)NCc4ccc(cc4)O	811
+C1CN(CCO1)c2cc3c(C4CCCC4C(=S)N3)cc2	199
+C1CN(CCO1)c2ccc3N(C(=O)C)C(C(C(Nc4ncc(cc4)C#N)c3c2)C)C5CC5	340
+C1CN(CCO1)c2cc3c(cc2)c4nc(Br)cc(C(=O)N)c4[nH]3	2682
+C1CN(CCO1)c2nc(NC(=O)c3n4c(nc3)ccc(-c5c(cccc5)OCC6OC(C)(C)OC6)n4)ccc2	2683
+C1CN(CCO1)c2cc(ccc2)Oc3cc(c(Nc4cc(OC)c(cc4F)F)nc3)F	201
+C1CN(CCO1)c2cccc(Oc3cnc(cc3)Nc4ccc(F)c(OC)c4F)c2	201
+C1CN(CCO1)c2c(cccc2)O	5
+C1CN(CCO1)c2cc(c(nc2)N3CCOCC3)Nc4c(C)c(-c5ccccc5S(=O)(=O)C)nc6c4c(F)cc(F)c6	1332
+C1CN(CCO1)c2ncc(cc2Nc3cc(nc4cc(cc(c34)F)F)-c5ccccn5)N6CCOCC6	1332
+C1CN(CCO1)c2ncc(cc2Nc3c(CC)c(-c4ccccn4)nc5cc(cc(F)c35)F)N6CCOCC6	1332
+CC(C)(C)OC(N1CCN(CC1)c2nc3c(c(c2C)Nc4cc(cnc4)N5CCOCC5)c(cc(F)c3)F)=O	1332
+O=S(=O)(c1cnccc1)N2CCN(CC2)c3nc4c(c(Nc5cc(cnc5)N6CCOCC6)c3C)c(cc(F)c4)F	1027
+c1cc(ccc1O)C=NNc2nc3cc(-c4ccccc4)nn3c(N5CCOCC5)c2	878
+C1COCCN1c2cc(NN=Cc3ccc(cc3)Cl)nc4cc(-c5ccccc5)nn24	878
+C1CN(CCO1)c2sc(c(-c3cccc(N)c3F)n2)-c4ccnc(n4)Cl	2087
+C1CN(CCO1)c2sc(-c3nc(NC(C)C)ncc3)c(-c4c(c(ccc4)NS(=O)(=O)c5c(F)ccc(c5)F)F)n2	96
+C1CN(CCO1)c2nc(nc3cc(sc23)CN(C(=O)C=C)C)-c4cc(ccc4)O	404
+C1CN(CCO1)c2nc(-c3ccc(cc3)NC(=O)OC)nc4c5c(n(cc5)CCN(C)C)ccc24	3929
+c1cc(ccc1-c2nc(c3ccc4c(ccn4CCN(C)C)c3n2)N5CCOCC5)NC(Nc6ccccc6)=O	124
+c1cc(ccc1NC(=O)Nc2ccncc2)-c3nc(c4ccn(c4n3)CCNC)N5CCOCC5	110
+C1CN(CCO1)c2nc(N3CCN(CC3)S(=O)(=O)C=C)nc(-n4c5cccc(OC)c5nc4C(F)F)n2	6783
+C1CN(CCO1)c2nc(c(C)s2)CCl	6784
+CC(C)(C)OC(N1CCN(CC1)c2nc(nc(-n3c4cccc(OC)c4nc3C(F)F)n2)N5CCOCC5)=O	436
+C1CN(CCO1)c2nc(Cl)nc3c2ccn3CCN(C)C	3924
+CC(C)(c1cc2c(nc(Cl)nc2s1)N3CCOCC3)OC	76
+C1CN(CCO1)c2c3c(nc(Cl)n2)c(OCCO)cc(c3)-c4c(c(ccc4)NS(=O)(=O)CCC)F	99
+c1cc(ccc1-c2nc(c3ccn(CCN(C)C)c3n2)N4CCOCC4)N	261
+C1CC(CCN1Cc2nc3c(n2C)nc(nc3N4CCOCC4)Cl)C5COC5	566
+C1C(CN1Cc2nc3c(nc(nc3N4CCOCC4)Cl)cc2)N5CCOCC5	596
+C1C(CN1Cc2nc3c(nc(Cl)nc3cc2)N4CCOCC4)N5CC(NCC5)=O	596
+CC(C)(C)[Si](C)(C)n1c2c(c(c(cc2)F)-c3nc(c4c(ccc(CN5CC(C5)C6CCOCC6)n4)n3)N7CCOCC7)cc1	3622
+CC(C)(C)OC(N1CCN(CC1)Cc2c(c3c(c(N4CCOCC4)nc(n3)Cl)s2)C)=O	509
+C1CN(CCO1)c2c3sc(S(=O)(=O)C)nc3nc(Cl)n2	6785
+C1CN(CCC1Cc2nc3c(nc(Cl)nc3N4CCOCC4)cc2)C(C)=O	10
+c1cc(ccc1-c2nc(N3CCOCC3)c4c(n(cc4)CC(OC)OC)n2)N	261
+C1CN(CCO1)c2nc(nc(n2)-n3c4cccc(OC)c4nc3C(F)F)N5CCN(CC5)S(=O)(=O)CCN6CCSCC6	3356
+C1CN(CCO1)c2nc(NC(=O)c3cnc4n3nc(cc4)-c5ccccc5OCC(CO)O)ccc2	265
+C1COCCN1c2cc(c(c(SCC)n2)C(=O)NCc3cc(F)cc(c3)F)C	56
+C1CN(CCO1)c2nc(-c3c(F)c(ccc3)NS(=O)(=O)c4ccco4)c(s2)-c5ccnc(N)n5	911
+C(OP(OCC)(Cc1c(C)sc(N2CCOCC2)n1)=O)C	6786
+C1CN(CCO1)c2sc(C)c(COc3ccc(C=O)cc3OC)n2	2088
+C1CN(CCO1)c2cc(c([N+](=O)[O-])c(N)n2)C(=O)OC	128
+C1CN(CCO1)c2nc3c([nH]c(n3)C)c(c2)C(=O)OC	2684
+C1COCCN1c2nc(-c3ccccc3)nc(Cl)c2	6787
+C1CN(CCO1)c2c3cc(cc(c3nc(Cl)n2)O)Br	390
+C1CN(CCO1)c2nc(Cl)nc3c2nc(CO)cc3	59
+C1CN(CCO1)c2c3ncc(-c4cc(N)ccc4)cc3nc(Cl)n2	1151
+C1CN(CCO1)c2c3ncc(cc3nc(Cl)n2)-c4ccc(cc4)C(O)=O	1151
+c1cc(ccc1NS(=O)(=O)C)-c2nc(N3CCOCC3)c4ccc5c(c4n2)ccn5C	80
+C1CN(CCO1)c2c3c(cc(cc3)-c4cccc(S(=O)(=O)C)c4)nc(Cl)n2	495
+C1CN(CCO1)c2nc(-c3cccc4n[nH]cc34)nc5c2sc(c5)NC(=O)C	6788
+C1CN(CCO1)c2c3c(cc(s3)-c4cc(ccc4)C(=O)O)nc(n2)-c5cnc(nc5)N	2685
+C1CN(CCO1)c2nc(-c3ccc(cc3)NC(=O)Nc4ccncc4)nc5n(CC=O)ccc25	571
+C1CN(CCO1)c2nc(c3c(N(c4ccnc(N5CCN(CC5)C)c4)CC3)n2)-c6cccc(O)c6	5
+C1COCCN1c2nc3n(Cc4cccc5ccccc45)c(nc3c(C(OC)=O)c2)C	1484
+C1COCCN1c2nc3c(c(C(O)=O)c2)nc(n3Cc4c(c(Cl)ccc4)Cl)C	1
+CC(C)(C)C(Nc1c(c(c(c(c1)F)F)C(O)c2ccc3ncc(nc3c2)N4CCOCC4)F)=O	1641
+CC(C)(C)C(=O)Nc1ccc(cc1)C(c2cc3nc(N4CCOCC4)cnc3cc2)O	257
+C1CN(CCO1)c2nc3c(ccc(C=O)c3)nc2	3930
+C1CN(CCO1)c2nc3cc(ccc3cc2C4CCCN4c5c(C#N)c(ncn5)N)F	54
+C1CN(CCO1)c2c3n(c(-c4ccc(cc4)-c5[nH]nnn5)cn2)cc(n3)COc6ccc7c(cccc7)n6	6789
+C1COCCN1c2cc(c(cn2)-c3ccc(c(F)c3)OC(F)F)N	1642
+C1COCCN1c2cc(Nc3c(C)c(nc4cc(F)cc(F)c34)-c5ccccn5)c(I)cn2	179
+C1COCCN1c2cc(c(cn2)Br)Nc3c4c(cc(F)cc4F)nc(c3C)-c5ccccn5	179
+C1CN(CCO1)c2c(COc3c(c(ccc3)OCOC)C=O)cccn2	751
+C1COCCN1c2nccn3c2nc(C(OCC)=O)c3	6790
+C1COCCN1C2=NN(N)C(=O)c3ccccc23	6791
+C1COCCN1c2c(C#N)c(-c3c(cc(cc3)Cl)Cl)c(s2)C(=O)N	767
+C1CN(CCO1)c2sc(C)c(COc3ccc(cc3OC)CO)n2	41
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(cc3)OCc4c(C)sc(N5CCOCC5)n4)OC)n2	3931
+C1CN(CCO1)c2sc(c(n2)-c3cccc(NS(=O)(=O)c4c(cccc4F)F)c3F)-c5ccnc(Cl)n5	69
+C1CN(CCO1)c2nc(-c3c(c(ccc3)NS(=O)(=O)c4c(F)ccc(c4)F)F)c(-c5ccnc(n5)Cl)s2	69
+C1CN(CCO1)c2nc(c(-c3ccnc(n3)Cl)s2)-c4c(F)c(ccc4)NS(=O)(=O)c5ccco5	2686
+C1CS(CCN1c2ncc(cc2)C#N)(=NC)=O	6792
+c1cc(ccc1C2CN(C(=O)N3CCS(CC3)(=O)=O)CC(C2)C(OC)=O)OC(F)F	468
+c1cc(ccc1)C2=CCc3ccc(cc3O2)-c4c5c(N)ncnc5n(C6CC(C6)CN7CCS(CC7)(=O)=O)c4	6793
+C1CN(CCS1(=O)=O)CC2CC(C2)n3cc(c4c(ncnc34)N)Br	869
+O=S1(=O)CCN(CC1)CCNS(=O)(=O)c2ccccc2[N+]([O-])=O	71
+C1CS(CCN1C(Oc2ccc(cc2)[N+]([O-])=O)=O)=O	441
+C1CN(CCS1)C=2SC(=Cc3cccc(C(O)=O)c3)C(N=2)=O	1149
+C1CN(CCS1=O)C2CC(C2)n3cc(-c4cccc(OCC5OCCC5)c4)c6c(N)ncnc36	1311
+FC(F)(F)c1ccc(c(c1)NC(=O)Nc2ccc(nc2)N3Cc4c(CC3)c(C(=O)N)[nH]n4)F	6794
+CC(C)c1cc(ccc1)NC(c2cc(ccc2)N3Cc4c(CC3)c(cnc4)C(OC)=O)=O	67
+FC(F)(F)CNC(=O)C1(c2ccccc2-c3c1cccc3)CCCCN4CCN(c5ccc6c(n5)cccc6)CC4C	28
+C1CN1c2cc(c(cc2[N+]([O-])=O)[N+]([O-])=O)C(NCCC(=O)OC)=O	6795
+C1CC2CCN1CC2Cc3cc(ccc3)F	1028
+C1CN2CCC1C(C(CCc3ccc(cc3)CO)(O)c4ccccc4)C2	88
+C1CN2CCC1C(C2)C(c3ccccc3)(O)CCc4ccc(cc4)C(OC)=O	213
+C1CN2CCC1C(C(O)(c3ccccc3)CCc4ccc(cc4)COC)C2	49
+C1CC2CCN1Cc3c2[nH]c4c3cccc4Br	518
+C1CC2CCN1Cc3c4c(n(CCc5cnc(cc5)Cl)c23)ccc(C)c4	6796
+C1CN2CCC1c3[nH]c4ccc(cc4c3C2)C	518
+C1CC2CCN1CC23OC(=NC3)Nc4cc(ncn4)Oc5ccccc5	6797
+c1cnccc1-c2cc(N=C3NCC4(CN5CCC4CC5)O3)ncn2	6798
+CC(C)(c1cccc(Br)c1)NC(NC2CN3CCC2CC3)=O	1957
+FC1(F)C(N(c2c(nc(nc2)Nc3c(cc(C(=O)NC4CN5CCC4CC5)cc3)OC)N(C6CCCCC6)C1)C)=O	14
+C1CN2CCC1C(NC(Cc3cc4ccccc4n3C)=O)C2	9
+C1CC2CCN1CC2NC(c3ccc(Sc4ccc(cc4)Cl)s3)=O	227
+C1CN2CCC1C(NCCc3n(C)c4ccccc4c3)C2	15
+C1CN2CCC1C(C2)OC(C(c3c4c(sc3)cccc4)Nc5cccc(c5)F)=O	27
+C1CC2CCN1CC2OC(=O)C(c3ccccc3)N4CCC(F)(F)CC4	27
+C1CN2CCC1C(OC(=O)C(Nc3ccccc3)c4cc(F)ccc4)C2	1643
+c1ccccc1-c2ccc(cc2NC(OC3C4CCN(CC4)C3)=O)Br	589
+C1CC(CCN1C(c2ccccc2)C(OC3CN4CCC3CC4)=O)C(N)=O	27
+FC(F)(F)c1ccc(CCn2c3c(c4CN5CCC(CC5)c24)cc(C)cc3)cn1	3389
+N1(C(=O)NCC1)c2ncccc2	3819
+C1n2c(cc3cc(OC)ccc23)CNC1	729
+C1CCCCN1CN2C(C(=C3c4ccc(N(C)C)cc4CO3)c5c2ccc(Cl)c5)=O	6799
+C1CN(CCC1)CC#CCCC(=O)N2c3ncccc3NC(=O)c4ccccc24	1469
+CC(C)(C)C(=O)OCN1C=Nc2cc(c(cc2C1=O)OC)OCCCN3CCCCC3	28
+CC(C)(C)OC(=O)N(c1ccc(cc1)NC(c2ccc(C)nc2N3CCCCC3)=O)CCc4ccccn4	43
+CC(C)(C)OC(N1CCN(CC1)c2nccnc2N3CCCCC3)=O	317
+CC(C)(C)OC(=O)N1CCc2onc(c2C1)C(N3CCCCC3)=O	147
+CC(C)(C)OC(=O)NC(C(CN1CCCCC1)O)CC(C(C)C)Cc2cc3c(cccc3OCCOC)cc2	170
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(N3CCCCC3)=O	30
+CC(C)(C)OC(=O)NCc1cnc(cc1)CN2CCCCC2	1309
+CC(C)(C)OC(c1ccc(cc1[N+](=O)[O-])C(=O)N2CCCCC2)=O	30
+CC(C)(C)OC(CC(c1nc(no1)C(=O)N2CCCCC2)CCCC3CCCCC3)=O	2661
+CC(C)(C)OC(c1c(nc2ccc(N3CCCCC3)cc2c1-c4ccc(cc4)F)C)=O	79
+CC(C)(C)OC(c1ccc(cc1NC(c2cc(ccc2OCOC)CN3CCCCC3)=O)-c4ccccc4)=O	131
+CC(C)(C)c1ccc(cc1)C=C(C)CN2CCCCC2	3855
+CC(C)(C)c1sc2c(n1)cc(c(NC(N3CCCCC3)=S)c2)N4CCN(CC4)C	1366
+CC(C)(C)n1nc(cc1N=C2NN(c3ccc(cc3)N4CCCCC4)C(c5ccccc25)=O)C	202
+CC(C)(c1ccc(c(c1)Br)CC(C)CN2CCCCC2)CCCC	53
+CC(C)C(c1ccc(cc1)N2CCCCC2)=O	34
+C1CCCCN1CCCn2c3ccccc3cc2C(NC4C(CCCC4)C(NC(CC(C)C)C#N)=O)=O	53
+C1CN(CCC1)CCCCCS(=O)CCC(C)C	53
+CC1(C)Cc2c(OC)cccc2C1N3CCCCC3	3339
+C1CCCCN1CC(Nc2ccc(cc2)C(=O)N3CC4(CC3CC(C)(C)C4)C)=O	224
+C1CN(CCC1)C(SC)=C[N+]([O-])=O	6800
+FC(F)(F)Oc1ccc(cc1)N2C(=O)C3(CCN(CC3)C(N4CCCCC4)=O)CC2	2399
+C1CN(CCC1)c2cc(ccc2[N+](=O)[O-])Cl	34
+Clc1cc(cc(Cl)c1Oc2ccc(O)c(c2)CN3CCCCC3)N4C(=O)NC(C=N4)=O	48
+C1CCCCN1c2cc(C(Nc3ncc(nc3)-c4ccc(c(C)c4)C)=O)c(cc2)[N+](=O)[O-]	202
+Clc1cccc(CNCc2nc3c(oc4c3cc(cc4)Br)c(O)n2)c1	6801
+C1CN(CCC1)c2cc(nc(n2)Cl)Cl	54
+FC(F)(F)C(N(c1ccc(CCC(OCC)=O)c(F)c1)Cc2ccc3c(c2C)N(CCN4CCCCC4)CCC3)=O	123
+FC(F)(F)c1c2nc(CN3CCCCC3)c(-c4cc(Oc5cccc(S(=O)(=O)C)c5)ccc4)n2ccc1	6802
+FC(F)(F)c1cc(-c2ncc(nc2)NC(c3c([N+](=O)[O-])ccc(N4CCCCC4)c3)=O)ccc1	202
+FC(F)(F)c1cc([N+](=O)[O-])c(N2CCCCC2)c(C(Nc3cc(Cl)c(cc3)Cl)=O)c1	202
+FC(F)(F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	202
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(c3)OCCCCN4CCCCC4	28
+FC(F)(F)c1cccc2c(n(nc12)-c3ccccc3)N4CCCCC4	959
+C1CCCCN1CC(N(c2c(ccc(c2)OC)C3CCc4c(C3)ccc(OC)c4)CC)=O	224
+C1CCCN1c2c3c4ccccc4n(c3nc(N5CCCC5)n2)CCN6CCCCC6	123
+O=S(=O)(c1ccc(cc1)C)N2C(CC(=O)NCCc3ccc(cc3)CN4CCCCC4)C(NC=C2)=O	171
+C1CCCCN1C(C)CCOc2ccccc2	2687
+c1cc(ccc1CCN2CCCCC2)-c3cc4c(CN(CC4)C(=O)COC(C)=O)cc3	236
+C1CN(CCC1)Cc2nc3c(cccc3)[nH]2	894
+C1CCCCN1C(c2cc(C)c(Nc3cnc(C)cc3)nc2)=O	211
+C1CN(CCC1)Cc2cc(c(O)cc2)OC	48
+C1CN(CCC1)c2ccnc(C)c2	264
+C1CCCCN1c2nc(cs2)C(OCC)=O	2643
+C1CCCCN1CCCCCn2c3c(c(nc(OC(C)CCC)n3)N)nc2OC	53
+C1CN(CCC1)C(=O)c2ccc([N+]([O-])=O)cn2	3753
+C1CN(CCC1)c2c3c(C=O)cn(C)c3ncc2	3932
+C1CCCCN1C(=O)c2ccc(Oc3cc(cc(c3)OC(C)CO)C(=O)Nc4nn(C)cc4)c(F)c2	30
+C1CCCCN1c2cc(nc(N3CCCC3C)n2)N4C(CN(c5c(cc(cn5)C(=O)OCC)C)CC4)C	54
+C1CN(CCC1)CCCOc2cc(OC3CCOC3)c4c(ncnc4c2)Nc5cc(c(F)cc5)Cl	53
+C1CN(CCC1)CCCOc2cc(F)c(-c3cn4c(n3)cc(C)cc4)cc2	53
+C1CCCCN1Cc2[nH]c3cc(Oc4sc5ccccc5n4)ccc3c2	315
+C1CCCCN1c2cc(ccc2[N+](=O)[O-])F	34
+C1CN(CCC1)CCCCN2CCN(CCC2=O)C(C=Cc3ccc(c(c3)Cl)Cl)=O	183
+C1CN(CCC1)CC(O)CCN2CCN(CCC2=O)C(C=Cc3ccc(c(c3)Cl)Cl)=O	170
+C1CN(CCC1)c2nc(nc(C(=O)OC)c2)Cl	54
+C1CCCCN1c2cc(Br)c([N+]([O-])=O)cc2	34
+C1CN(CCC1)c2cnc(cc2)[N+]([O-])=O	244
+C1CN(CCC1)c2ccc(c(C(=O)N)c2)[N+]([O-])=O	34
+C1C(CC1)(C(CN2CCCCC2)=O)c3ccccc3	3933
+c1cc(ccc1)C2=CN(C(c3ccccc23)=O)CCCN4CCCCC4	53
+c1cc(ccc1)N2C=C(C(=O)c3ccc(cc23)Cl)CNC(=O)c4ccc(nc4)N5CCCCC5	43
+C1CCCCN1c2ccc3c(c2)c(-c4ccc(cc4)F)c(c(n3)C)C(C)O	79
+c1cc(ccc1S(=O)(=O)N2CCCCC2)C#N	92
+C1CN(CCC1)CCC(=O)Nc2ccc(cc2)C(=O)N3CC4(CC3CC(C)(C)C4)C	1531
+c1cc(ccc1C(=O)Nc2ccc(cc2)OC(=O)N(C)c3ccccc3)CN4CCCCC4	171
+c1cc(ccc1CN2CCCCC2)C(C)n3nnc(CC4N(C=CNC4=O)S(=O)(=O)c5ccc(Cl)c(Cl)c5)c3	48
+C1CN(CCC1)C(=O)c2ccc(cc2)C=O	30
+c1cc(ccc1Cl)-c2cc(C(CN3CCCCC3)=O)c(C)s2	1498
+C1CN(CCC1)CC(c2cc(C(c3ccc(cc3)Cl)=O)cn2C)=O	1498
+c1cc(ccc1Cl)N2c3c(N=C(N4CCCCC4)C2=O)cccc3	6803
+C1CCCCN1CC2CCc3n(c4c(cccc4)c3C2=O)Cc5ccc(cc5)C(OC)=O	6804
+c1cc(ccc1Cn2cc(cn2)-c3nc(sc3N4CCCCC4)Nc5ccccn5)OC	3934
+C1CCCCN1CCCCCCOc2cc3ccn(-c4ccc(cc4)F)c3cc2	28
+C1CCCCN1C(C2CCc3c2nc(s3)-c4ccc(cc4)OCCCCl)=O	10
+C1CN(CCC1)CCCOc2ccc(cc2)I	53
+C1CCCCN1C(=O)Cc2nc(oc2)-c3ccc(cc3)OCCN4CCCC4C	10
+c1cc(ccc1Oc2ccc(C(=O)N3CCCCC3)cn2)C=O	211
+C1CN(CCC1)c2ccc(nc2)C(Nc3cc(cc4[nH]ncc34)-c5c6cc[nH]c6ccc5)=O	244
+C1CN(CCC1)CC2CC(c3ncc(Br)cc3)=NO2	53
+C1CCCCN1C2Cc3c(C2)ccc(OC)c3	85
+C1CCCCN1c2ncnc(COC)c2C	54
+c1ccccc1CCOCCN2CCC(CC2)(C#N)C	236
+O=S(=O)(CCC)N1CCC(CC1)(c2ncccc2)C#N	112
+CN(C)C(=O)Oc1cc(NC(C2(CCN(CC2)c3ncnc4[nH]cc(c34)C)COC)=O)ccc1	778
+c1cc(ccc1C(=O)N2CCC(CC2)(c3ccccc3)C(=O)OC)-c4nc(C)no4	30
+C1CC(CCC1)C2(CCNCC2)CO	44
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)N2CCC(C)(C)CC2	92
+CC(C)(C)OC(N1CCC(CC1)(O)C)=O	23
+C1CC(CCN1C(Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)=O)(O)C	437
+c1cc(ccc1F)C2c3nc(nc(N4CCC(CC4)(O)C)c3CC2)Cl	54
+C1CN(CCC1(c2cc(ccc2)-c3cnn(C)c3)CO)c4ncnc5nc[nH]c45	1310
+C1CC(CCN1C(C)=O)(Cn2c3c(nc2COCC)cnc4ccccc34)O	58
+C1CC(CCN1C(=O)Nc2ccccc2)(O)Cn3c4c(nc3COCC)cnc5ccccc45	326
+FC(F)(F)c1nnc2ccc(nn12)N3CCC(CC3)(c4ccc(cc4)O)O	212
+C1CN(CCC1(c2c(C)cccc2)C#N)C(OCC)=O	66
+CC(C)(O)CN1CCC(CC1)(C#N)c2ccc(cn2)Br	170
+C1CC(CCN1CCc2ccc3NC(CCc3c2)=O)(O)c4sc(cc4)Cl	53
+CC(C)(C)OC(=O)Cc1cc(N2CCC3(CC2)C(=O)N(C(=O)N3CCc4ccc(cc4)OC)CC5CC5)ccc1	79
+c1ccccc1N2C3(CCN(CC3)CCCN4C(Nc5c4c(Cl)ccc5)=O)C(NC2)=O	1306
+C1CC2(CCN1CCc3cc(ccc3)OC)CC(c4cc(ccc4O2)C=CC(=O)OC)=O	28
+C1CN(CCC12CC(c3c(ccc(C=CC(=O)OC)c3)O2)=O)CCc4c[nH]c5ccccc45	28
+C(C)Oc1cc(cc(OCC)c1-c2ccc(cc2)F)CN3CCC4(CC3)CC(NC4)=O	171
+C1CN(CCC12CC(c3c(O2)cccc3)=O)C(c4ccccc4OC)=O	30
+CC(C)(C)OC(=O)Nc1cc(cc(c1Cl)N2CCC3(CC2)C(=O)N(CC3)C)C#N	79
+CC(C)(C)OC(N1CC(c2ccccc2)C(CN3CCC4(CC3)CCN(Cc5ccc(cc5)Br)C4=O)C1)=O	61
+c1cc(ccc1)C(CCN2CCC3(CC2)CCN(C3=O)Cc4ccc(cc4)Br)=O	1644
+CC(C)(C)[Si](C)(C)OCCc1ccc(CCN2CCC3(CC2)CN(CCO3)C(=O)c4nc(sc4)C)s1	61
+CC(C)(C)OC(=O)NCCCN1CCC2(CC1)CN(C(=O)OCc3ccccc3)CC2	53
+CC(C)(C)[Si](C)(C)OCCc1c(F)c(CN2CCC3(CC2)CN(C(=O)c4csc(n4)C(C)C)CCO3)ccc1	48
+C1CN(CCC12OCCN(C(c3nc(sc3)C(C)C)=O)C2)CCc4csc(CCOC(=O)C)c4	123
+C1CC2(CCN1CCc3cccc(CCO)c3)CN(C(=O)c4nc(C(C)C)sc4)CCO2	28
+CC(C)(C)OC(=O)CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CNC(=NC(c4nc(c(nc4N)N)Cl)=O)N3)c1	30
+c1cc(ccc1N2C3(CCN(CC3)C(=O)C)C(NC2=O)=O)C	58
+CC(C)(C)OC(N1CCC(CC1)N2CCC3(CC2)OC(Nc4ccccc34)=O)=O	85
+C1COCCC1c2nc3c(cc(Oc4cc(N5CCC6(CC5)c7c(NC(=O)O6)nccc7)ncn4)cc3[nH]2)Cl	54
+C1CN(CCC12c3c(NC(=O)O2)nccc3)c4cc(C(=O)c5cc6c(c(C)c5)N(C)C(=O)O6)nc(C)n4	54
+C1CN(CCC12c3c(NC(=O)O2)nccc3)c4ncnc(c4)C(c5cc(C)c6c(OC(=O)N6C)c5)=O	54
+C1CN(CCC12c3c(CCO2)cc(F)s3)Cc4cn(nc4C)-c5c(C#N)cccn5	678
+CC(C)(C)OC(=O)N1CCC2(CC1)CCCc3ccccc23	23
+C1CN(CCC12C=Cc3ccccc23)c4c(Cl)c(nnc4)NN	6805
+C1CC(CCN1CC(OCC)=O)=C2c3ccc(cc3CCc4c2nccc4)C#N	303
+C1CC(CCN1CCOc2cccc3nc(ccc23)C)=Cc4cc(-c5ccccn5)ccc4	28
+C1CC(CCN1CCOc2cccc3nc(C#N)ccc23)=Cc4cccc(Br)c4	28
+C1CN(CCC1C#N)CC(N(C(c2cc(c(cc2)F)C)=O)C)C(C)C	61
+C1CN(CCC1C#N)c2c(cnc(N)c2Cl)Br	264
+C1CC(CCN1C(N2CCOc3c(cc(-c4cnc(cc4)-c5[nH]ccn5)cc3)C2)=O)C#N	776
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCC(CC4)C(=O)N5CCC5	85
+CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCC(CC2)C(=O)c3cc(Cl)ccc3Cl	61
+FC(F)(F)CCN1CCC(CC1)C(=O)N	183
+FC(F)(F)c1nccc(n1)N2CCC(CC2)C(=O)N	54
+O(c1cc(cc(OC)c1OC)-c2nccc(CN3CCC(CC3)C(=O)N)c2)C	171
+C1CN(CCC1C(N)=O)S(=O)(=O)c2c3c(ccc2)cccc3	92
+c1c(Cl)c(c(cn1)Cl)N2CCC(CC2)C(=O)N	264
+C1CN(CCC1C(N)=O)C(C(=O)OCC)c2ccccc2	6806
+c1ccccc1C(c2ccccc2)N3CCC(CC3)C(N)=O	1109
+C1CC(CCN1Cc2ccccc2)C(N)=O	171
+C1CN(CCC1C(N)=O)C(=O)OCc2ccccc2	66
+C1CN(CCC1C(N)=O)CCOc2ccc(cc2)Oc3nc4ccccc4s3	28
+C1CN(CCC1C(=O)N2CC(C(Oc3ccc(C#N)cn3)C)C(c4cc(c(Cl)cc4)Cl)C2)CC#N	6807
+c1cc(ccc1Cl)S(=O)(=O)CCCN2CCC(CC2)C(c3ccc(cc3)F)Nc4cc(F)c(F)cc4	53
+CC(C)(C)OC(=O)N1CCCC(CN2CCC(CC2)C(=O)Nc3ccc(c(Cl)c3)Cl)C1	61
+CC(C)(C)CCN1CCC(CC1)C(=O)OCC	61
+CC(C)(C)OC(n1c(-c2cc(N3CCC(CC3)C(OCC)=O)ccc2Cl)nc4c1cccc4)=O	79
+CC(C)(C)OC(n1c2ccc(OC)cc2nc1-c3c(ccc(N4CCC(CC4)C(=O)OCC)c3)F)=O	79
+CC(C)(C)[Si](C)(C)Oc1ccc2nc(ccc2c1)CN3CCC(CC3)C(=O)OCC	315
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)C(OCC)=O)=O)c4c(cccc4)Br	10
+CC(C)Oc1ccc(-c2onc(-c3cccc4c3n(cc4CN5CCC(CC5)C(=O)OCC)C)n2)cc1Cl	565
+CC1(C)Oc2c(c(CCN3CCC(CC3)C(=O)OCC)ccc2)CO1	123
+C1CC(CCN1c2c(Cl)nsn2)C(=O)OCC	6808
+C1CN(CCC1C(=O)OCC)c2ncnc(c2F)Cl	54
+FC(F)(F)CCN1CCC(CC1)C(=O)OCC	61
+FC(F)(F)c1c(ccc(-c2ncc(cn2)-c3cccc(CN4CCC(CC4)C(=O)OCC)c3CC)c1)OC(C)C	48
+C1CN(CCC1C(=O)OCC)C(C)=O	58
+C1CC(CCN1S(=O)(=O)C)C(=O)OCC	112
+C1CC(CCN1CCc2c3c(oc2)cc(cc3)Oc4sc5ccccc5n4)C(OCC)=O	123
+C1CC(CCN1c2nc3ccc(c(c3cc2)C(O)=O)Cl)C(=O)OCC	286
+C1CC(CCN1c2c3c(n(C)cc3C=O)ncc2)C(=O)OCC	3932
+C1CC(CCN1c2ccc(Cl)c(-c3ccc(cn3)C)c2)C(=O)OCC	79
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)C(=O)OCC	3935
+C1CN(CCC1C(=O)OCC)Cc2ccc(cc2)-c3c(-c4ccccc4)cc5c(n6nc(C)cc6nc5)n3	48
+c1cc(ccc1OCCCCN2CCC(CC2)C(OCC)=O)Cn3c(nc4c3nc(nc4N)OCCCC)OC	53
+C1CN(CCC1C(=O)OCC)Cc2cc3c(cc2)cc(cc3)O	48
+C1CN(CCC1C(=O)OCC)c2c(ccnc2)-c3sc(C)cn3	2688
+CC(C)(C)OC(N1CCC(CC1)C(c2ccc(cc2)Br)=O)=O	23
+FC(F)(F)C(C)OC(N1CCC(CC1)C2(Oc3cnc(cc3C2)-c4ccc(cc4)S(=O)(=O)C)C)=O	1011
+O=S(=O)(c1ncn(C)c1)N2CCC(CC2)C3=NCCc4cc(OC)ccc34	3936
+O=S(=O)(c1cnc(cc1)OCCC2CC2C3CCN(CC3)C#N)C	739
+C1CN(CCC1C2C(C2)CCO)c3ccc(C=O)cn3	43
+c1nc(ncc1COC)N2CCC(CC2)C3CC3CCO	117
+c1nc(ncc1OCC)N2CCC(CC2)C3CC3CCO	117
+n1cc(cnc1N2CCC(CC2)C3CC3CCO)CC	117
+C1CNCCC1C2N=C3NC(=CC(=O)N3CC2)c4ccncc4	6809
+c1cnccc1C2=CC(=O)N3C(=NC(C4CCN(CC4)C)CC3)N2	113
+c1nc(ncc1CCC)N2CCC(CC2)C3Oc4c(C3)cc(Br)cc4F	117
+CC(C)N1CCC(CC1)CC#Cc2c3c(c(nc(CCCC)n3)N)n(COCc4ccccc4)c2	2689
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)CC(=O)OCC)=O)c4c(cccc4)Br	10
+CC(C)CC1C(N(CC(N2CCC(CC2)CC(=O)OCC)=O)CC(c3ccccc3Cl)c4cc(Cl)ccc14)=O	10
+C1CC(CCN1c2c(cc(cc2)Cl)[N+]([O-])=O)CC(=O)OCC	202
+FC(F)(F)c1ncc(cn1)N2CCC(CC2)CC3CCN(CC3)C(C)C	3937
+C1CN(CCC1CC2CCN(CC2)C(C)C)c3ncc(nc3)C(=O)OC	317
+C1CC(CCN1c2ccc(cc2)C(=O)C)CC3CCN(CC3)C4CCC4	34
+CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(CN3CCC(CC3)CCC)=C(Cl)C=C(C2=O)Cl	3830
+C1CC(CCN1CC)CCCCCCn2c(nc3c(nc(nc23)OCCCC)N)OC	183
+C1CN(CCC1CCNC(=O)C=C)C(=O)CNc2c(O)cc(Cl)c(Cl)c2	10
+CC(C)(C)OC(=O)NC(C(=O)N1CCC(CC1)CCc2c(nc(C)nc2N)Cl)C	10
+C1CN(CCC1CCc2noc3c(CO)c(ccc23)OCC4CC4)Cc5nc(C#N)cs5	6810
+C1CC(CCN1C(=O)OCc2ccccc2)CN	613
+c1cc(ccc1CN2CCC(CC2)CN)Cl	171
+C1CC(CCN1S(=O)(=O)C)CN(CCC)C2CCc3ccc(cc3C2)[N+](=O)[O-]	112
+C1CC(CCN1C(=O)N)CNc2cc(nc3n2ncc3Br)-c4c(Cl)cccc4	6811
+CC(C)(C)[Si](C)(C)OCC1CCNCC1	19
+CC(C)C(N1CCC(CC1)CO)=O	10
+C1CN(CCC1CO)C(OC(C)C)=O	66
+C1CC(CCN1C(=O)CC)CO	58
+C1CN(CCC1CO)c2nccc(c2)C	361
+C1CC(CCN1C#N)CO	739
+C1CN(CCC1CO)C(=O)C	10
+O=S(=O)(c1ccc(c(c1)C(=O)O)Cl)N2CCC(CC2)CO	92
+C1CC(CCN1C(=O)CC2C(=O)NC=CN2S(=O)(=O)c3cc(C)c(Cl)cc3C)CO	10
+C1CNCCC1COc2c3c(Nc4ccc(c(Cl)c4)O)ncnc3ccc2	1111
+C1CC(CCN1Cc2cnc(-c3ccccn3)s2)CO	2075
+c1ccccc1C(c2ccccc2)OCC3CCNCC3	3938
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3CCNCC3	328
+c1ccccc1-c2csc3nc(nc(c23)N4CCC(CC4)CO)CCl	1570
+c1ccccc1-c2csc3nc(Cl)nc(c23)N4CCC(CC4)CO	1570
+C1CN(CCC1CO)C(c2ccccc2)=O	115
+C1CN(CCC1CO)c2ncc(cn2)CC	117
+C1CC(CCN1C(Nc2sc3c(N4CCOCC4)ncc(OC)c3n2)=O)COC	437
+CC(C)N1CCC(CC1)COc2c(C(NC(C)(C(=O)OCC)CC)=O)cc(c3ccccc23)Cl	85
+C1CC(CCN1C(C)=O)COc2c3c(cccc3)c(Cl)cc2C(NC(C)(C(=O)OCC)CC)=O	58
+CC(C)(C)Oc1nc(CCN2CCC(CC2)COc3c(cccc3)F)cnc1	6812
+C1CC(CCN1CCOc2cccc3c2ccc(n3)C)Cc4ccc5c(c4)NC(=O)CO5	28
+C1CC(CCN1CC#N)Cc2n(c3ncccc3n2)CCOCC	1321
+c1cc(ccc1Oc2ccccc2)CCN(C3CCN(CC3)Cc4ccc(cc4)C(OC)=O)C	131
+C1CC(CCN1CC(C)(C)O)N(C(c2ccc(cc2)-c3ocnc3)=O)C4CC4	170
+C1CC(CCN1)N(Cc2scnc2Cl)CC(C)C	6813
+C1CC(CCN1C(=O)NC(Cc2cc3c(n[nH]c3)c(C)c2)C(=O)OC)N4Cc5cccc(F)c5NC4=O	6814
+C1CN(CCC1N2C(NC(=O)c3cc(ccc23)OCC(F)F)=O)C=O	1003
+C1CC(CCN1c2cc(ccn2)C(=O)N3CCc4cc(c(F)cc34)F)N5C(=O)Nc6ncccc56	43
+C1CN(CCC12OC(Nc3ccccc23)=O)C4CCN(CC4)c5nccnc5	6815
+C1CN(CCC1N2CCN(CC2)C)c3cc(OC)c([N+]([O-])=O)cc3C	34
+C1CN(CCC1N2CCN(CC2)C)c3c(cc4c(Nc5ccc(c(Cl)c5)Sc6n(C)ccn6)c(cnc4c3)C#N)OC	2074
+FC(F)(F)S(=O)(=O)c1ccc(cc1)-n2cc(cc2)CN3CCC(CC3)NC(COc4cccc(Cl)c4)=O	565
+c1cc(ccc1-n2cc(cc2)CN3CCC(CC3)NC(COc4cccc(Cl)c4)=O)Br	565
+c1(cc(cc(OCC)c1F)CN2CCC(CC2)NC(=O)c3cccc(OC(C)(C)C(OCC)=O)c3)OCC	48
+O=S(=O)(NC1CCN(CC1)C(=O)OCc2ccccc2)c3ccc(cc3)[N+]([O-])=O	66
+C1CN(CCC1Nc2c3nnc(C)n3nc(-c4cc5ccccc5n4Cc6ccccc6)c2)C	113
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C	10
+C1CC(CCN1c2ncccc2Br)Nc3ccc(cc3)F	43
+C1CN(CCC1Nc2ncc(C(=O)OC)cc2)C(Nc3ccccc3)=O	326
+C1CN(CCC1Nc2nccc(-c3n(C(C)C)c(nc3)C)n2)CCc4ccccc4	28
+C1CN(CCC1Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2)C(C)=O	58
+c1ccn(c1)-c2c(CN3CCC(CC3)Nc4nc(NCCCN(C)C)nc5ccccc45)cccc2	48
+c1(cc(cc(OCC)c1F)CN2CCC(CC2)Nc3nc(NCCO)nc(OC)n3)OCC	48
+C1CC(CCN1CC(F)(F)c2ncc(C(F)F)cc2)Nc3ncnc4n(S(=O)(=O)c5ccc(cc5)C)ccc34	1645
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1-c4nnc(o4)NC5CCN(CC5)S(=O)(=O)C	112
+C1CN(CCO1)c2nc(cc(N)c2)N3CCC(CC3)O	43
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(c4C(=O)N(C(N5CCC(CC5)O)=Nc4o3)C)-c6ccccc6	6816
+CC(C)(C)[Si](C)(C)OC1CCNCC1	19
+CC(C)(O)c1c2ncc(-c3ccnc(NC4CCC(CC4)C(N5CCC(CC5)O)=O)n3)n2ccc1	10
+CC(C)C(N1CCC(CC1)O)=O	10
+CC(C)C(N(C(c1cc(c(cc1)F)C)=O)C)CN2CCC(CC2)O	61
+C1CN(CCC1O)C(C23c4c(cccc4)C(c5c2cc(Cl)cc5)C3)=O	10
+C1CNCCC1Oc2ncc(cc2)Cl	91
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N(C2CC2)C3CCN(CC3)C(CCN4CCC(CC4)O)=O	1531
+FC(F)(F)c1ccc(cc1)C2CC(CN(C(N3CCC(CC3)O)=O)C2)NC(c4ccccc4)=O	468
+C1CN(CCC1O)C#N	739
+C1CN(CCC1O)Cc2ccccc2C#N	131
+C1CC(CCN1c2c(cc(cn2)[N+]([O-])=O)Cl)O	43
+C1CN(CCC1O)c2ccc(O)nn2	212
+C1CC(CCN1c2ccc([N+](=O)[O-])c(c2)OC)O	34
+C1CC(CCN1c2ncc(nc2)CC)O	2089
+C1CN(CCC1O)C(=O)COCCc2c(cccc2Cl)Cl	10
+C1CN(CCC1O)c2ccc(Br)cn2	323
+C1CC(CCN1C(c2ccc3-c4c(cc(C(N(C)c5c(Cl)cccc5)=O)s4)CCOc3c2)=O)O	3355
+C1CN(CCC1O)c2ccc(cn2)C(=O)NCC=3C(=O)c4ccc(cc4N(C=3)c5ccccc5)Cl	43
+c1cc(ccc1CC)C2CC(C(=O)OCC)CN(C(=O)N3CCC(CC3)O)C2	468
+c1cc(ccc1CN2CCC(CC2)O)C	171
+c1cc(ccc1C)S(=O)(=O)n2c(-c3cn(C)c4cc(OC)c(OC)cc34)cc5c(ccnc25)CN6CCC(CC6)O	171
+C1CN(CCC1O)c2nnc(Cl)cc2	212
+C1CC(CCN1C(C23c4c(cccc4)C(c5c2cccc5)C3)=O)O	10
+C1CN(CCC1O)C(=O)Nc2nccc(Oc3cc4c(cc3)n(C(NCCC(C)C)=O)cc4)c2	437
+C1CC(CCN1c2nccc(-c3cccc(n3)-c4n5c(ccc(N6C(c7cccc(F)c7)CCC6)n5)nc4)c2)O	361
+C1CN(CCC1O)c2nc3c(cccc3)cc2	286
+n1cc(cnc1N2CCC(CC2)O)Br	117
+n1cc(cnc1N2CCC(CC2)O)CC	117
+n1cc(cnc1N2CCC(CC2)O)CCC	117
+C1CC(CCN1CC(C)CN2C(COc3c2cc(cc3)C)=O)OCCC	183
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+C1CN(CCC1Oc2cc3n(-c4cc(OC(C)c5ccccc5Cl)c(C(OC)=O)s4)cnc3cc2)C	2690
+C1CNCCC1Oc2cc3c(cc2)ncn3-c4cc(c(C(N)=O)s4)OC(c5c(Cl)cccc5)C	1355
+CC(C)(C)OC(C(CS(=O)(=O)N1CCC(CC1)Oc2c(Br)cc(cc2)F)C3CCCC3)=O	112
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+c1cc(ccc1CN2CCC(CC2)c3nnc([nH]3)-c4cnc(cc4)OC)-c5c(cc6c(ccnc6O)n5)-c7ccccc7	48
+C1CN(CCC1c2nccnc2F)C(C)=O	58
+C1CN(CCC1c2c(c(ccc2)Cl)Cl)CCCCOc3cc4c(cc3)scn4	28
+c1cc(ccc1)C(N2CCC(CC2)c3c4cc(-c5ccccc5)nc(C(N)=O)c4[nH]c3)=O	115
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+C1CC(CCN1c2cc(C(=O)OC)nc(n2)Cl)c3n[nH]c4ncccc34	54
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+O=S(=O)(C)N1CCC(CC1)c2cc3c(nnc(c3Nc4c(cc(cc4)C)F)C(N)=O)cc2OC	112
+c1ccccc1CN2CCC(CC2)c3ccc(c(C(=O)N)c3)Cl	131
+c1cc(ccc1)COc2cc(ccc2C3CCN(CC3)C(=O)Nc4ccccn4)OCc5ccccc5	468
+C1CC(CCN1)c2cccc3c2C(C(N3)=O)=Cc4[nH]c(C)cc4C	292
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+CC(C)(C)OC(NCCN(CCCCCCN1CCC(CC1)c2ccccc2)Cc3ccccc3OC(C)(C)C)=O	28
+CC(C)(C)OC(Nc1ncc(CN2CCC(CC2)c3ccccc3)s1)=O	3696
+C1CN(CCC1c2ccccc2)C(=O)C3C4(c5ccccc5CCC4)CN(C3)Cc6ccccc6	10
+c1cc(ccc1N2CCC(CC2)c3ccccc3)S(=O)(=O)NC4C(=O)N(OCc5ccccc5)CC=CC4	34
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+C1CN(CCC1c2ccccc2)Cc3ccc4c(n3)ccc([N+](=O)[O-])c4	596
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+C1CN(CCC1c2nc(C(N(C3c4c(cccc4)CCC3)C)=O)cs2)C(Cn5c(cc(CC)n5)CC)=O	10
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+c1ccccc1-c2c(-c3ccc(cc3)CN4CCC(CC4)n5c6c(nc5C)cccc6)nc(N)c(c2)[N+]([O-])=O	48
+C1CC(CCN1CCc2cc3NC(CCc3cc2OC)=O)n4ccc5c4cc(C(=O)N)cc5	61
+C1CN(CCC1n2ccc3c2cc(cc3)C(N)=O)CCc4c(OC)ccc5c4cccc5	61
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+O=S(=O)(N1CCCNCC1)c2c3ccnc(c3ccc2OC)Cl	2691
+c1(cccc(Cl)c1Cl)N2CCCNCC2	79
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+C(C)N1CCCNCC1	15
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+C1CN(CCS1=O)c2c([N+](=O)[O-])c(nc(n2)N3CCNCC3)OCC	3625
+C1CNCCN1c2c(F)c3N4C(=C(C(=O)OCC)C(c3cc2F)=O)SC4C	34
+CC(C)(C)OC(N1CC(CC1C(N2CCNCC2)=O)N(C(C)=O)C3CCC(C)(C)CC3)=O	10
+CC(C)(C)OC(=O)C1C(N(CC)c2c(CC1)cc(c(c2)OC)N3CCNCC3)=O	79
+CC(C)(C)[Si](C)(C)N1CCNCC1	6820
+CC(C)(C)c1nc(cc(C2CC2)n1)N3CCNCC3	54
+CC(C)(C)c1nc(cc(n1)N2CCNCC2)C3CCC3	54
+CC(C)(C)c1nn2c(N3CCNCC3)c(-c4ccccc4)c(C)c(C#N)c2n1	6821
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+CC(C)CCNC(=O)c1nnc(N2CCNCC2)cc1	212
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+CC1(C)CCCC(C)(C)N1c2nc(N3CCNCC3)cc(N4CCCC4)n2	54
+O=S(=O)(n1c(ncc1)N2CCNCC2)N(C)C	1811
+C[Si](C)(C)CCOCn1c(Br)c(Br)nc1N2CCNCC2	1811
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+C1CN(CCN1)c2nc(c3c(ccc(c3)Cl)n2)NN	549
+C1CNCCN1c2c3c(cc(cc3)Cl)on2	2573
+C1CN(CCN1)c2ccnc3cc(Cl)ccc23	264
+C1CN(CCN1)c2nc(Cl)ccc2	43
+FC(F)(F)Oc1cc2ccc(nc2cc1)N3CCNCC3	286
+FC(F)(F)S(=O)(=O)N1CCNCC1	6822
+C1CNCCN1c2c(C(=O)C)cc(Cl)c3cccnc23	1563
+FC(F)(F)c1cc(C(N2CCNCC2)c3ccccc3)ccc1	6823
+C1CNCCN1Cc2ccc3c(OC(F)(F)O3)c2	48
+C1CNCCN1c2sc(C#N)c(C)n2	641
+C1CN(CCN1)Cc2cccc(N=C3SC(=CN3COC)Br)n2	6824
+C1CNCCN1c2ccc(cc2N)[N+]([O-])=O	34
+C1CNCCN1CC(O)COc2c(OC)cccc2	170
+C1CNCCN1c2c(cccn2)OC	43
+C1CNCCN1c2ncc(Cl)cc2OC	323
+C1CN(CCN1)c2nccc(OC)c2	43
+C1CN(CCN1)c2ccc(S(=O)(=O)C)c(NC3CCCc4c(ccc(OC)c34)OC)c2	34
+C1CN(CCN1)CCC#C	3939
+C1CN(CCN1)c2cccc3n(ccc23)S(=O)(=O)c4c(C)cccc4	1578
+C1CNCCN1CCCC(c2c3cc(ccc3[nH]c2)F)=O	53
+C1CN(CCN1)c2sc(C(OC)=O)cn2	641
+C1CNCCN1c2nc(C)cc(C)c2	43
+C1CNCCN1c2cc(Cl)nnc2Cl	2558
+C1CNCCN1c2c3c4N(CCC3)C=C(C(=O)c4cc2)C(O)=O	202
+C1CNCCN1CCCCCC(=O)Nc2cc(OC)cc3c2nccc3C	28
+C1CNCCN1c2c(cc(OC)c(F)c2)F	79
+C1CN(CCN1)c2nc(c3c(c4c(cc(Br)cc4OC)[nH]3)n2)OCC	549
+C1CN(CCN1)c2noc3c2cc(cc3)C	2573
+C1CNCCN1c2c3c(ccc(C)n3)cc(Br)c2	6825
+C1CN(CCN1)CCCOc2cc(OC3CCOC3)c4c(ncnc4c2)Nc5cc(c(F)cc5)Cl	53
+C1CNCCN1c2ncc3ccccc3c2	43
+C1CNCCN1c2ccc(c(F)c2)C#N	34
+C1CNCCN1c2sc3c(n2)ccc(OC)c3	1912
+C1CNCCN1c2nc3ccc(cc3s2)[N+]([O-])=O	1912
+C1CN(CCN1)c2ncnc3ccc(nc23)-c4ccc(OC)c(C)c4	3940
+C1CNCCN1CCOc2c(cc(F)cc2)F	28
+C1CN(CCN1)Cc2c(F)cc(F)cc2	171
+C1CNCCN1C2=C(C(=O)N(C)c3ccc(cc23)F)C#N	1636
+C1CN(CCN1)c2c3ccccc3c([N+]([O-])=O)cn2	43
+C1CNCCN1c2nc3ccccc3cn2	549
+C1CN(CCN1)c2ccc3cc(OC)ccc3n2	286
+C1CN(CCN1)c2cnc(cc2)[N+]([O-])=O	244
+C1CN(CCN1)C(=O)Nc2cc(Cl)c(Cl)cc2	326
+C1CN(CCN1)c2cc(NCCNC(C)=O)nc(n2)-c3ccccc3	54
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCNCC4	1499
+c1cc(ccc1)C2=[N+](c3ccc(cc3N4CCN=C24)N5CCNCC5)[O-]	34
+C1CNCCN1c2nc(c3nc(Cl)c(NCc4ccccc4)nc3n2)N5CCC5	117
+c1cc(ccc1)S(c2ccc(cc2)Cc3csc(N4CCNCC4)n3)=O	641
+c1cc(ccc1S(=O)(=O)Nc2ncncc2)N3CCNCC3	79
+c1cc(ccc1N2CCNCC2)C(=O)OCC	34
+c1cc(ccc1Cl)-c2ccc(cc2)C(C)N3CCNCC3	1148
+C1CC(CCN1C)C(N2CCNCC2)c3ccc(cc3)F	1148
+C1CN(CCN1)C(c2ccc(cc2)Cl)c3ccccc3	2073
+c1cc(ccc1N2CCNCC2)C(=O)N	34
+C1CN(CCN1)c2nc(c(C(=O)N)cc2)Nc3ccc(cc3)C(N4CCOCC4)=O	43
+C1CN(CCN1)c2ccc(cc2)C(NCC)=O	34
+c1cc(ccc1F)CN2C(=O)C(=C(c3cc(C)ccc23)N4CCNCC4)C#N	1636
+C1CN(CCN1)C2=C(C#N)C(=O)N(Cc3ccc(cc3)F)c4ccccc24	1636
+C1CNCCN1c2ccc3c(c(ccc3)Br)n2	286
+C1CN(CCN1)CC2Oc3c(cccc3)C2	183
+C1CN(CCN1)c2ccc(C(=O)c3ccccc3C(OC)=O)cc2[N+]([O-])=O	202
+c1ccccc1CN2c3ccc(Cl)cc3C(N4CCNCC4)=C(C2=O)C#N	1636
+c1ccccc1Cc2c3ccccc3c(nn2)N4CCNCC4	212
+c1ccccc1Nc2c(ccc(c2)N3CCNCC3)[N+]([O-])=O	79
+O=S(=O)(N1CCNCC1)c2ccccc2	92
+c1ccccc1Sc2c(cc(cc2)N3CCNCC3)[N+]([O-])=O	34
+C1CNCCN1c2ccn3ncc(Br)c3n2	790
+C1CNCCN1c2cc(nc(C)n2)Nc3sc(C(Nc4c(C)cccc4Cl)=O)cn3	54
+C1CNCCN1Cc2nnc3nc(N)nc(c3n2)N	894
+C1CN(CCN1)CC(=O)Nc2cccc(-c3cnc4c(n3)cccc4)c2	224
+c1cc(ccc1N2CCNCC2)-c3cnc(nc3)N	79
+CC(C)(C)OC(=O)NC(C(=O)N1CCN(CC1)C(C(CC(C)C)NC(=O)c2sc3c(cccc3)c2)=O)CO	10
+CC(C)(C)OC(N1Cc2ccc(cc2CC1)CN3CCN(CC3)C(C4CCOCC4)=O)=O	48
+C1CN(CCN1CC(O)CCl)C(C2CCCO2)=O	170
+C1CN(CCN1c2nc3c(nc2)cccc3)C(=O)Nc4ccccc4C(OC)=O	1322
+C1CN(CCN1C(OCCCC)=O)C(=O)CNC(=O)OCc2ccccc2	10
+CC(C)(C)OC(=O)N1CCN(c2ncc(N3CCN(CC3)C(=O)OCc4ccccc4)cc2)c5ccccc15	244
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)C(OCc2ccccc2)=O	28
+CC(C)(C)OC(=O)NC(C(=O)N1CCN(CC1)C(OCc2ccccc2)=O)CC(C)C	10
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)C(N3CCN(CC3)C(OCc4ccccc4)=O)=O	30
+Cc1cccc(C)c1NC(=O)CCN2CCN(CC2)C(OCc3ccccc3)=O	3941
+O=S(=O)(Cc1c(ccc(N2CCN(CC2)C(OCc3ccccc3)=O)c1)[N+](=O)[O-])c4cccc5ccccc45	34
+C1CN(CCN1C(C)C)C(=O)c2c3c(c(c[nH]3)CN4CCOCC4)ccc2	85
+CC(C)(C)OC(Nc1cc(C)cc(CN2CCN(CC2)C(C)=O)c1)=O	48
+C1CN(CCN1C(C)=O)c2ccc([N+](=O)[O-])c(c2F)OC	34
+C1CN(CCN1C(C)=O)c2cc(ncc2)Nc3ncc(-c4cc(C(=O)O)cnc4)s3	264
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCC(N5CCN(CC5)C(=O)C)C)CC2	85
+C1CN(CCN1C(C)=O)c2cc(C)c(N)c([N+](=O)[O-])c2	79
+C1CN(CCN1C(C)=O)Cc2ccnc(c2C)Cl	171
+C1CN(CCN1C(C)=O)C(=O)c2cc(ccc2)-c3c4cc(ccc4ncn3)Br	30
+C1CN(CCN1c2cc(c([N+](=O)[O-])cc2)C#N)C(C)=O	34
+C1CN(CCN1C(C)=O)c2ccc(nc2)[N+]([O-])=O	244
+C1CN(CCN1c2cc(C)c([N+]([O-])=O)cc2)C(C)=O	34
+C1CN(CCN1c2cc(c([N+]([O-])=O)cc2)Nc3ccccc3)C(C)=O	202
+c1cc(ccc1C=C)N2CCN(CC2)C(C)=O	79
+c1cc(ccc1N2CCN(CC2)C(C)=O)C=O	34
+C1CN(CCN1C(=O)C)c2ccc(cc2)N3C4CN(CC4CC3)C	79
+C1CN(CCN1C(=O)C)c2cc(c(CN3CCCCN(S3(=O)=O)c4ccccc4)cc2)F	79
+C1CN(CCN1Cc2cc(Cl)nc(Nc3ncc(C#N)s3)c2)C(=O)NC	171
+C1CN(CCN1C(=O)NC)Cc2c(cnc(Nc3ncc(C#N)s3)c2)C	171
+c1cc(ccc1Oc2cccc(CN3CCN(CC3)C(=O)Nc4noc5c4cccc5)c2)Cl	48
+C1CN(CCN1c2ncnc3c2CCN(Cc4ccccc4)CC3)C5CCC5	54
+C1CN(CCN1C2CCC2)C(=O)OC3CCN(CC3)c4nnc(O)cc4	1011
+C1CN(CCN1c2nc(N)ccn2)C3CCCC3	117
+C1CCCCC1N2CCN(CC2)CCCCn3c4ccccc4nn3	53
+C1CN(CCN1C2COC2)c3c(cc([N+]([O-])=O)cc3)F	34
+C1CN(CCN1CCN2c3c(cccc3)NC2=O)C4Cc5ccc(OC)cc5Sc6c4cc(SC)cc6	53
+C1CN(CCN1CC(=O)c2cc(OC)c(cc2)OC)C=3C(=O)C=CC=CC=3	676
+C1CN(CCN1C(C23CCC4(C(CCC5C6(C(CCC45C)C(C)(C)C(OC(=O)C)CC6)C)C2C(C(C)=C)CC3)C)=O)CC	58
+C1CN(CCN1CC)c2nccc([N+]([O-])=O)c2	43
+FC(F)(F)c1cc(ccc1C(N2CCN(CC2)CC)=O)N	30
+C1CN(CCN1CC)CC(=O)Nc2nccc(c2)Oc3ccc(c([N+](=O)[O-])c3)NC	224
+C1CN(CCN1CC)c2c(C=O)c(ccc2)Cl	34
+C1CN(CCN1c2cc(Cl)c(cc2)C=O)CC	34
+C1CN(CCN1c2cccc(N(C(C)=O)C)c2)CC	79
+C1CN(CCN1CC)c2cc(C#N)c3c(C(N(C=N3)c4cc(C(=O)OC)ccc4C)=O)c2	560
+C1CN(CCN1CC)c2nc3c(cccc3)c(C)c2	286
+C1CN(CCN1CC)C(=O)OCc2cnc(C)cc2	1011
+C1CN(CCN1S(=O)(=O)c2sc3cc(ccc3c2)Cl)CC#N	1147
+C1CN(CCN1CC(COc2c(OC)cccc2)O)CC(Nc3c(cccc3C)C)=O	224
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N2CCN(CC2)CC(O)COc3cccc4[nH]c5c(cccc5)c34	92
+C1CN(CCN1CCOc2c(cc3c(c(Nc4cc(ccc4)Br)ncn3)c2)OC)CC(=O)OCC	28
+C1CN(CCN1C(c2ccccc2)=O)CC(=O)OCC	115
+C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC	61
+C1CC1CN2CCN(CC2)C(c3ncc(cn3)Br)=O	2090
+C1CNCCN1CCCCc2c3cc(F)ccc3[nH]c2	1283
+CC(C)(C)OC(N1CCN(CC1)CCCC(c2c3cc(ccc3[nH]c2)F)=O)=O	23
+C1CNCCN1CCCCCCNc2c3nccc(C)c3cc(OC)c2	15
+c1cc(ccc1CBr)C(=O)N2CCN(CC2)CCCCCCCCCCCCCCCCCC	115
+C1CN(CCN1C(=NC#N)SC)CCCCCCNc2c3nccc(C)c3cc(OC)c2	6826
+C1CN(CCN1CCCNC(C2CCCCC2)=O)c3nc(ccc3)[N+](=O)[O-]	43
+CC(C)(C)OC(N1CCN(CC1)CCCO)=O	23
+C1CN(CCN1C=O)CCN	6827
+FC(F)(F)c1[nH]c2c(c(OCCN3CCNCC3)ccc2)n1	1640
+C1CNCCN1CCOc2cccc(c2N)N=[N+]=[N-]	0
+C1CNCCN1CCOc2c(c(N)ccc2)N	912
+C1CN(CCN1CCc2ccc(cc2)Cl)C(c3ccc(cc3)[N+](=O)[O-])=O	30
+c1cc(ccc1CCN2CCN(CC2)CC(c3ccc(cc3)[N+](=O)[O-])=O)[N+]([O-])=O	676
+C1CN(CCN1C(CCc2cc(c(cc2)N(C)c3ccc([N+](=O)[O-])cn3)OC)=O)Cc4ccc5OCOc5c4	1857
+C1CN(CCN1Cc2cc3OC(F)(F)Oc3cc2)C(=O)Nc4cccnc4	437
+C1CNCCN1Cc2cc(-c3oc4c(cccc4C(=O)N)n3)ccc2	2692
+C1CN(CCN1CC#N)Cc2n(CCOCC)c3ncccc3n2	1321
+C1CN(CCN1Cc2cc3ccccc3cc2)Cc4nnc5c(c(N)nc(N)n5)n4	131
+CC(C)(C)OC(=O)N1CCN(CC1)N	23
+O=S(=O)(N1CCN(CC1)Cc2sc3c(c2)c(nc(Cl)n3)N4CCOCC4)C	509
+c1cc(ccc1N2CCN(CC2)S(=O)(=O)C)C(c3ccccc3C)CC(=NO)c4ccnc(C)c4	79
+O=S(=O)(C)N1CCN(CC1)C(=O)C(CCC(=O)OC)NC(=O)c2ccc(cc2)F	10
+c1cc(ccc1)-c2nn(CC(=O)N3CCN(CC3)S(=O)(=O)C)c4c2c(c(nn4)-c5ccccc5)Cl	10
+O=S(=O)(N1CCN(CC1)Cc2cc3c(C(Br)=CN(C3=O)C)o2)C	2693
+O=S(=O)(CC)N1CCN(CC1)c2cnc3N=CN(C(c3n2)=O)C	2089
+C1CN(CCN1S(=O)(=O)N)S(=O)(=O)CC	2694
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)CC	183
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)C(=O)c3ccccc3	115
+C1CN(CCN1)c2[nH]c(cc2C(=O)N)-c3ccnc(c3)Cl	1869
+CC(C)(C)OC(N1CCN(CC1)c2c3c(n[nH]c3)ncc2-c4ccccc4)=O	23
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4c(cc([N+]([O-])=O)cc4)C#N	1109
+C1CNCCN1c2ccccc2CO	49
+c1cc(ccc1C(C)C)CC(N2CCN(CC2)c3c(c(ncn3)N)C=NOCC)=O	10
+C1CNCCN1c2c(F)cc3C(=O)C(C(O)=O)=C4SC(C)N4c3c2F	108
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2c(N(S(=O)(=O)C)C)cccc2)Cc3ccc(cc3)Cl)=O	10
+C1CN(CCN1C(=O)C)c2c(nccn2)OC3CCN(CC3)c4ccc5ccccc5n4	58
+CC1(C)C(Nc2ccc(cc2C1)C(=O)OCC)c3cc(N4CCN(CC4)c5c(cc(C)cc5)C)ccc3	79
+CC1(C)CC(c2cccc(N3CCN(CC3)c4c(cc(C)cc4)C)c2)Nc5ccc(cc15)C(OCC)=O	79
+CC(C)(C)c1ccc(cc1)C(CCCN2CCN(CC2)c3cc(F)c(OC)cc3F)=O	53
+c1cc(ccc1)C(=O)CCN2CCN(CC2)c3cc(F)c(OC)cc3F	1644
+C1CN(CCN1)c2c(F)cc3c(NC(=S)N3)c2	1357
+C1CN(CCN1C(c2c(C)onc2-c3ccccc3OC)=O)c4cc(N)c(cc4Cl)[N+](=O)[O-]	2560
+C1CN(CCN1c2c(cc(cc2)[N+](=O)[O-])Cl)C(C(C)C)=O	58
+C1CN(CCN1c2ccccc2OC)CCC(=O)OCC	1877
+C1CN(CCN1CCC#N)c2ccccc2OC	987
+C1CN(CCN1)c2cc([N+]([O-])=O)ccc2OC	31
+C1CN(CCN1C(=O)CCc2c([nH]c3ccc(cc23)Cl)-c4ccc(cc4)Cl)c5c(OC)cccc5	10
+c1cc(ccc1C2(CCC2)C(N3CC(CN4CCN(CC4)c5c(OC)cccc5)CCC3)=O)Cl	123
+FC(F)(F)c1ccc(cc1)-c2nn(c3c2CN(CC3)S(=O)(=O)C)CCCN4CCN(CC4)c5c(cccc5Cl)[N+](=O)[O-]	61
+C1CN(CCN1CCC(C(=O)N2CCCCCC2)c3ccccc3)c4c5cc([nH]c5ccc4)C(OC)=O	53
+C1CN(CCN1c2noc3cc(ccc23)Cl)CCCCOc4cc5NC(=O)CCc5cc4	53
+CC(C)(C)OC(N1CCN(CC1)c2cc(Br)cc3c2nc(C)cc3)=O	23
+c1cc(ccc1CCN2CCN(CC2)c3cccc4c3nc(CCC(=O)OC)cc4)OCCCN5CCCCCC5	123
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(nc5c4cc(CC)s5)Cl)=O	115
+C1CN(CCN1c2ccc3c4c2CCCN4C=C(C3=O)C(O)=O)S(=O)(=O)C	112
+C1CN(CCN1c2cccc3c2ccc(C)n3)CCc4cccc([N+](=O)[O-])c4	123
+C1CN(CCN1c2c3c(nc(cc3)C)ccc2)CCc4cc(ccc4F)Br	61
+C1CN(CCN1c2c3ccccc3sn2)C(=O)c4c(ccc(c4)S(=O)(=O)C)OC(C)C	30
+CC1(C)CC(Nc2c(cc(cc12)CCCN3CCN(CC3)c4nsc5c4cccc5)CC)=O	53
+c1cc(ccc1)C(=O)N2C(N(C3CCCCC23)CCCCN4CCN(CC4)c5nsc6ccccc56)=O	28
+C1CN(CCN1CCc2cccc(C)c2[N+](=O)[O-])c3nsc4c3cccc4	236
+C1CN(CCN1CCc2c(cccc2)[N+]([O-])=O)c3nsc4c3cccc4	236
+C1CN(CCN1c2nsc3c2cccc3)CCc4ccc(cc4)[N+]([O-])=O	236
+C1CN(CCN1c2cc(cc3c2nccc3)C)CCc4c5c(oc4)cc(cc5)OC	183
+C1CN(CCN1)c2cc(Cl)nnc2N(C)C	212
+C1CN(CCN1CCCCC)c2c(C=3CCC(C)(C)CC=3)ccc(OC)c2	61
+C1CN(CCN1c2cc(c(cc2)NS(=O)(=O)C)C)CCc3ccc(cc3)NS(=O)(=O)C	123
+C1CN(CCN1c2cccc(-c3c(F)cc(F)cc3)c2)C(Nc4nnccc4)=O	2076
+C1CN(CCN1c2cc(ccc2)OC)Cc3ccc(cc3)[N+]([O-])=O	171
+C1CN(CCN1c2cccc(OC)c2)C(=O)c3c(-c4cc(ccc4)F)noc3N	2560
+C1CN(CCN1c2c(OC)ccc(-c3ccccc3)c2)C(=O)Nc4cc(c(cc4OC)C)C	437
+C1CN(CCN1C(Nc2c(C)c(C)no2)=O)c3nccc(c3)-c4c(F)c(F)ccc4	2076
+CC(C)(C)OC(c1c(-c2ccc(cc2)Cl)c3sc(nc3cc1C)-c4ccnc(N5CCNCC5)c4)C(OCC)=O	6828
+CC(C)(C)OC(N1CCN(CC1)c2ccc3[nH]nc(S(=O)(=O)c4c5c(ccc4)cccc5)c3c2)=O	23
+C1CN(CCN1CCCCc2c3c(ccc(C#N)c3)[nH]c2)c4cc5cc(C(=O)OC)oc5cc4	236
+C(C)N(CC)C(C(c1ccccc1)N2CCN(CC2)c3c(cc(cc3)C=O)F)=O	6829
+C1CN(CCN1C(CN2C(Oc3cc(ccc23)O)=O)=O)c4ccc(Cl)c(c4)OC	10
+C1CN(CCN1C(=O)Oc2ccc(cc2)[N+]([O-])=O)c3ccc(F)cc3F	66
+C1CN(CCN1S(=O)(=O)C)c2ccc(cc2)-c3c4c5c(scc5)c(O)nc4ccc3OC	112
+C1CN(CCN1c2nnc(cc2)Cl)c3ccc(cc3)N4C5CN(CC5CC4)C	212
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)O)=O	23
+C1CN(CCN1c2c(N)cc(cc2)[N+]([O-])=O)C(=O)c3ccccc3	115
+C1CN(CCN1c2cccc3c2cccc3)CCc4ccc5NC(Cc5c4)=O	53
+C1CN(CCN1CCc2c3ccc(cc3oc2)OC)c4c5ncccc5ccc4	183
+CC(C)(C)OC(NC(Cc1ccc(cc1)Cl)C(=O)N2CCN(CC2)c3ccccc3CN(C)C)=O	10
+c1cnccc1OCc2c(N3CCNCC3)cccc2	260
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccccc2[N+]([O-])=O	23
+C1CN(CCN1c2c(cccc2)[N+]([O-])=O)Cc3ccccc3	131
+C1CN(CCN1c2nc3c(Br)cnn3cc2)C(=O)OC(C)C	66
+C1CN(CCN1c2cc(C)cc(n2)C)c3ccc(c(C)c3)[N+](=O)[O-]	202
+C1CN(CCN1c2nc3c(c(N)n2)cc(OC)c(OC)c3)C#N	739
+C1CNCCN1c2nc3c(nc(c(N4CCS(CC4)=O)n3)SCCC)c(N5CCOCC5)n2	3483
+CC(C)c1cc(nc(n1)N2CCN(CC2)S(=O)(=O)c3ccc(cc3)OC)Nc4ccc(cc4)C	92
+CC(C)Oc1c(cc(S(=O)(=O)C)cc1)C(N2CCN(CC2)c3nc4c(cc([N+]([O-])=O)cc4)s3)=O	30
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3nc(OC4CC(C=C4)OC5OCCCC5)c6ccccc6n3	66
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncc3c(c2)cccc3	23
+C1CN(CCN1c2ncccc2[N+]([O-])=O)C(OCc3ccccc3)=O	66
+CC(C)(C)OC(N(C)CCN1CCN(CC1)c2c(nccn2)Cl)=O	61
+C1CN(CCN1c2c(OC)cncn2)CCCc3c4c(ccc([N+](=O)[O-])c4)[nH]c3	28
+CC(C)c1onc(N2CCN(CC2)c3c(C#N)cc(cn3)Br)n1	43
+C1CN(CCN1CCCCc2c3cc(ccc3[nH]c2)C#N)c4sc(C#N)c(n4)C	236
+CC(C)Oc1c(cc(S(=O)(=O)C)cc1)C(N2CCN(CC2)c3sc4c(n3)ccc(OC)c4)=O	30
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2nc3c(cc(cc3)C(OC)=O)s2)Cc4cccs4)=O	10
+C1CN(CCN1c2scc(-c3ccccc3F)n2)C(OCC(C)C)=O	66
+C1NCCN(CCNCCNC1)CC(=O)NCc2nc3c(c4ccccc24)cccc3	224
+C1CNCCNCCNCCN1Cc2ccc(cc2)[N+](=O)[O-]	131
+C1CNCCNCCN(CCN1)Cc2ccc(cc2)N	0
+C1CS(=O)(=O)CCN1C(c2n(c3c(cc(cc3)O)c2)C(C)C)=O	147
+c1cc(ccc1-c2c(oc(n2)-c3cccc(Cl)c3F)C4CCCCC4C(=O)OC)N5CCS(=O)(=O)CC5	79
+C1CN(CCS1(=O)=O)C(=O)c2ccc(OCc3c(noc3C)-c4ccc(cc4)F)nc2	211
+C1CN(CCS1(=O)=O)C(=O)Oc2ccc(cc2)[N+]([O-])=O	66
+c1cc(ccc1Cl)-c2cc(C(=O)N3CC[Si](C)(C)CC3)c(C)n2-c4ccc(cc4)Cl	211
+C1CCC2c3c(F)ccc4c3N(CCNCC4)C12	6830
+CC(C)(C)OC(N1CCc2occc2CC1)=O	23
+CC(C)(C)NC(N1Cc2c(C(=O)N)c(c(Br)n2CC1)-c3cc(ccc3)F)=O	384
+CC(C)(C)OC(=O)N1CCn2c(c(C(OCC)=O)c(-c3cccc(F)c3)c2Cl)C1	23
+c1ccccc1CC(N2CCCc3c2c4c(cn3)cccc4)=O	2052
+CC(C)(C)c1cc(c(CCO)cc1)C(C)(C)C	2589
+C(CCC)CCCCN1C(=O)C2(C(C)C(N(CCO)C(CC)(C)C2)(CC)C)NC1=O	170
+FC(F)(F)Oc1ccc(cc1)OC2CCN(CC2)CCO	170
+C(O)Cn1ccc2ccccc12	2695
+c1cc(ccc1C(OC)=O)COCCO	850
+c1cc(ccc1CCOC2OCCCC2)CCO	2589
+c1(CCO)cc(C)cs1	6831
+C1COC(O1)(C2OCC(N(Cc3ccccc3)C2)=O)C	467
+C1COC(O1)(C)Cc2cccc(NC(=O)NCc3ccccc3)c2	406
+C1COC(O1)(C)Cc2cc(N)ccc2	0
+c1cc(ccc1)CNC(=O)Nc2cc(ccc2)CC(=O)C	97
+C1COC(O1)(C)c2cc(CO)ccn2	2696
+O=S(=O)(C)OCc1cc(C2(OCCO2)C)ncc1	7
+C1COC(O1)(C)c2ccc(s2)CC(O)=O	459
+c1cc(ccc1)CN2CC(OCC2)C3(OCCO3)C	15
+C1COC(O1)(COc2cc3c(cccc3)cc2)C=CC4C(O)CC5OC(CC45)=O	682
+O1CCOC1(C=CC2C(OC3CCCCO3)CC4OC(O)CC24)COc5cc6c(cccc6)cc5	2697
+O1CCOC1(CC2(CC2)O)c3c(ccc(c3)Br)F	6832
+O=C(CC(CC(OC)=O)O)C	97
+C1COC(O1)(C)CCC#CCCCC#N	913
+O1CCOC1(C)CCC(=O)O	3
+C1COC(O1)(CCC)CCOc2ccnc(CS(c3nc4ccccc4[nH]3)=O)c2C	172
+c1ccccc1[Si](c2ccccc2)(OC3CC4OC(CC4C3CCC5(OCCO5)COc6cccc(Cl)c6)=O)C(C)(C)C	328
+C1COC(O1)(CCCCn2ncc([N+](=O)[O-])c2)C	338
+C1COC(O1)(CCCCn2cc(N)cn2)C	209
+O1CCOC1(C)CCCNc2c([N+]([O-])=O)cnc3ccccc23	105
+c1cc(ccc1F)C(=O)CCCN2CC(CCC2)CO	1367
+CC(C)(C)OC(N(CC(=O)OCC)CCCC1(OCCO1)C)=O	663
+O1CCOC1(CCOc2c(C)c(C)[n+]([O-])cc2)CCC	857
+C1COC(O1)(C=CC2C3C(OC(=O)C3)CC2OC4OCCCC4)COc5cc6c(cccc6)cc5	1646
+C1COC(O1)(c2cccc(CC3=NC(CO3)C(=O)OC)c2)C	3942
+C1COC(O1)(c2ccc(s2)CC3=NC(CO3)C(=O)OC)C	3942
+C1COC(O1)(C)c2ccc(s2)Cc3occ(C(=O)OC)n3	3943
+c1(Cl)cc2c(o1)ccc(c2)C(CC)=O	1367
+C1COC(O1)(c2cccc(Cc3occ(C(=O)OC)n3)c2)C	3943
+c1c(cc(Cc2occ(n2)C(=O)OC)cc1)C(=O)C	1367
+C1COC(O1)(C)c2cccc(CC(O)=O)c2	3
+CC(C)(C)OC(N1CC(C1)OCCO)=O	6833
+CC(C)(C)OC(Nc1cc(Cl)c(c(c1)Cl)OCCO)=O	2091
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCCO)CC2	2091
+c1(C=O)cccc(OCCO)c1	2091
+c1cc(ccc1OCCO)SC(CC)C	2091
+O=C(OCC)C(=Cc1cc(c(cc1)-n2cc(nc2)C)OC)CCCC=O	812
+O1CCOC1CCN(C(c2cc(-c3c(Cl)c(OC(F)F)n(n3)C)c(cc2Cl)Cl)=O)C	30
+COc1cc2c(cc1)C(=CC(=O)N2CC=O)C	812
+c12ncc(OC)cc1N(C(=O)C=C2)CC=O	812
+N1(C(c2cc(ccc2C=C1)C(=O)OC)=O)CC=O	812
+COc1cccc2c1C=CC(=O)N2CC=O	812
+O1C(c2c(cc(CC=O)cc2)C1)=O	812
+O1CCOC1c2ncc(F)cc2N	13
+CC(C)(C)OC(NCCOCCOCCOCCOc1cc(C2OCCO2)cc(OC)c1OC)=O	37
+C1COC(O1)c2cc(OCCOCCOCCOCCN)c(OC)c(c2)OC	18
+c1(C=O)ccc(Oc2ncc(nc2)C(=O)N)c(F)c1	494
+c1cc(ccc1C=O)-c2nnc(-c3ccccc3[N+](=O)[O-])o2	494
+OB(O)c1c(ncc(C2OCCO2)c1)F	2698
+O1CCOC1c2cc(C(C)(C)CO)ccc2	95
+COC(OC)C(O)(C)c1sc(C=O)nc1	6834
+O1CCOC1c2ncccc2N	13
+C1CC(CCC12OCCO2)(CC)CO	95
+C1CC(CCC1(C)O)=O	97
+O1CCOC12CCC(CC2)(C)OC	76
+C1CC(CCC1=O)(OC)Cc2ccccc2C	97
+C1COC2(O1)CCC(c3c(OCOC)cc(OCOC)cc3)=CC2	252
+C1CC(CCC1=O)C=C	97
+C1COC2(O1)CCC(CC2)C3CO3	553
+C1CC2(CCC1C(N(C)C)C#N)OCCO2	6835
+C1CC(CCC1CCO)=O	97
+c1ccccc1COCCC2CCC3(CC2)OCCO3	149
+C1CC(CCC1CO)=O	97
+C1CC2(CCC1COS(=O)(=O)C)OCCO2	7
+C1CC2(OCCO2)CCC1COCc3ccccc3	149
+C1CC(CCC1N(S(=O)(=O)c2ccc(cc2)Nc3nccc(Nc4ccc(cc4)F)n3)CCN5CCCC5)=O	97
+C1COC2(O1)CCC(CC2)N3C(C(CC3)Cc4c(Cl)cc(cc4Cl)OC)=O	1554
+C1CC(CCC12OCCO2)N(CC)C(OCc3ccccc3)=O	66
+C1COC2(CCC(CC2)Nc3[nH]ncc3)O1	3715
+C1COC2(CCC(CC2)OS(=O)(=O)C)O1	7
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(nc3)C4CCC5(OCCO5)CC4)ncnc12	1647
+C1CC(CCC1n2cc(cn2)I)=O	97
+C1CC(CCC12C(=C(c3c(ccc(c3)Br)C)C(=O)N2)O)=O	97
+c1cc(ccc1)C23c4c(CCC2C(C5(OCCO5)CC3)C)c(OC)nc(n4)-c6ccccc6OC	145
+C1COC2(O1)CCCCC2COCc3ccccc3	149
+c1ccccc1C=2CCN(CC3CCCC4(OCCO4)C3)CC=2	15
+C1COC2(O1)CC(NCC2)CN3CCCC3	15
+c1ccccc1COC(=O)NC2CCC3(OCCO3)CC2(C)C	101
+c1cc(ccc1F)C2CC3(OCCO3)Cc4sc(Nc5cc(c(-n6cc(nc6)Cl)cc5)OC)nc24	2522
+C1COC2(O1)CC=C(CC2)c3c(ccc(C(OC)=O)n3)F	128
+C1CC2(CCC1(N)C)OCCO2	102
+c1cc(ccc1C2(CCC(CC2)=O)CO)Br	97
+O1CCOC12CCC(CC2)Cc3c(cccc3)Cl	1028
+C1CC(CCC12OCCO2)C3CCC(CC3)c4c(cc(cc4)C5CCC(CC5)CCCCC)F	191
+C1COC2(CCC(CC2)C(CN=[N+]=[N-])O)O1	1648
+C1CC(CCC1=O)CC(=O)O	97
+C1CC(CCC1=O)N2C(=O)C(=C(n3ncnc23)CCC)Cc4ccc(cc4)-c5ccccc5C#N	97
+C1CC2(OCCO2)CCC1N3c4n(C(CCC)=C(Cc5ccc(cc5)-c6c(C7=NOC(=O)N7)cccc6)C3=O)ncn4	618
+c1(Cl)cc(cc(Cl)c1CC2C(N(C3CCC(CC3)=O)CC2)=O)OC	97
+C1CN(CCO1)C2CCC(CC2)=O	97
+FC(F)(F)C(=O)N(C(C)c1ccccc1)C2CCC3(OCCO3)CC2	520
+C1COC2(CCC(CC2)N(CCN3CCCC3)S(=O)(=O)c4ccc(cc4)Nc5nccc(Nc6ccc(cc6)F)n5)O1	92
+C1CC(CCC12OCCO2)c3c(cc(OCOC)cc3)OCOC	191
+C1CN(CCN1c2ccccn2)CC3CCCC4(OCCO4)C3	15
+C1COC2(O1)CC(C(N3CCC(=CC3)c4ccccc4)=O)CCC2	2699
+c1cc(ccc1)COCC2C(CCCC2)=O	97
+C1CN(CCC1=O)Cc2cc(c(cc2)F)F	97
+O1CCOC12CCN(CC2)c3nc4ccccc4n3Cc5ccc(cc5)F	505
+O1CCOC12CCc3c(sc4c3c(O)ncn4)C2	1868
+CC(C)C(NC(=O)OC)C(N1CC2(OCCO2)CC1C(=O)O)=O	4
+C1COC2(O1)COC(CCCC=O)(C)CCC2	24
+C1COC2(O1)CCCC(CCCC(C)=O)(C)OC2	86
+C1COC2(O1)COC(CCCC(O)C)(CCC2)C	2700
+C1COC2(O1)COC(OC2)(CCOc3ccnc(CSc4nc5ccccc5[nH]4)c3C)CC	3944
+C1COC2(O1)COC(OC2)(CC)CCOc3ccnc(CO)c3C	813
+C1COC2(O1)COC(OC2)(CCOc3c(C)c(CS(c4nc5ccccc5[nH]4)=O)ncc3)CC	172
+c1ccccc1COC(=O)NCc2nc(c3COCCc3n2)O	3945
+CC(C)(C)OC(n1cc(c2nccc(Cl)c12)C(NC3CCOCC3O)=O)=O	3946
+CC(C)(C)OC(n1c2c(c(C(NC3CCOCC3O)=O)c1)nccc2C)=O	3946
+CC(C)(C)OC(NCC1CCC(CC1)CNC(c2cc(nc3ccccc23)-c4cnc(cc4)OCC5COCC5)=O)=O	430
+O=S(=O)(OCC1COCC1)C	710
+c1cc(ccc1S(=O)(=O)OCC2CCOC2)C	36
+n1c(nc(Cl)c(C)c1NC2COCC2)Cl	40
+FC(F)(C)C(=O)NC(C)C(Oc1cc2cnn(-c3cccc(C(NC4COCC4)=O)c3)c2cc1)c5ccc(OC)nc5	2527
+C(=O)(OC1CCOC1)Cl	2701
+c1(COC2CCOC2)ncccc1	2702
+[N+]([O-])(=O)c1ccccc1OC2CCOC2	57
+c1cc(ccc1C=O)OC2CCOC2	20
+CC(C)(C)OC(NC1(CCOCC1)C#N)=O	37
+C1COCCC1(C#N)c2cc(cc(c2)F)Sc3ccc4c(ccc5cnc(C)n45)c3	1336
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(cc(C3(CCOCC3)C(=O)OC)cc2)C=4CCCCC=4	616
+c1cc(ccc1C2(CCOCC2)C(OC)=O)OCCCN3CCCC3	27
+C1COCCC1(CN)C	51
+c1cc(ccc1C2(CCOCC2)CCN)F	51
+C1COCCC1(C)CNc2cccc(n2)Br	182
+C1COCCC1(O)CNc2c3ccccc3ncc2[N+]([O-])=O	105
+O=S(=O)(C)OCC1(CCOCC1)F	7
+C1COCCC1(c2scc(COc3cc(Cl)cc4oc(-c5nc6n(nc(OC)s6)c5)cc34)n2)F	3947
+C1CC(CCO1)(CNc2c3ccccc3ncc2N)O	13
+C1CC(CCO1)(C2=CC=CC(=C=[N-])[N+]2=O)O	1649
+C1CC(CCO1)(C(=O)OC)c2cc(cc(OCc3ccc4c(c3)nc(cc4Cl)Cl)c2)F	22
+c1cc(ccc1)COc2cc(cc(F)c2)C3(CCOCC3)C=O	24
+C1COCCC1(C(=O)OC)c2cc(C3=CCCCC3)c(N)cc2	563
+C1CC(CCO1)(c2ccc(cc2)CCCNC(c3cccc4ccccc34)C)C(=O)NCC(=O)OC	188
+C1COCCC1(OC)c2cccc(COc3c4c(cc(c3)OC)oc(-c5nc6n(nc(C(C)F)s6)c5)c4)n2	1963
+C1COCCC1(O)c2cccc(n2)CN	421
+CC(C)(C)OC(=O)CNC(=O)C=1C(=O)C2(CCOCC2)c3ccccc3C=1O	3948
+c1cc(ccc1Cl)C=2C(NC3(CCOCC3)N=2)=O	6836
+C1COCCC1Cc2ccc(OC)cc2[N+](=O)[O-]	1028
+C1COCCC1(C)C#N	6837
+C1COCCC1CNC	6838
+C1COCCC1C(=O)c2sc(C(OC)=O)c(c2)N=CN(C)C	6839
+C1CC(CCO1)C(=O)c2cc3c(s2)C(=O)N(c4ccc(cc4)N5CCN(CCC5)C)C=N3	3949
+C1COCCC1C(C)Nc2nc(Br)c(Cl)cc2	395
+C1COCCC1C(C)Nc2cccc(Br)n2	182
+CC(C)(C)OC(=O)N(C(C(=O)NC(C1CCOCC1)C(=O)N2C(Cc3cccnc23)C(OCC)=O)C)C	207
+C1COCCC1C(N)C	18
+C1CC(CCO1)c2nc3cnc4cc(-c5c(noc5C)C)c(cc4c3n2C(COC)C)OC	6840
+C1CC(CCO1)C2c3ccccc3N(CC(N)=O)CC2	3950
+C1COCCC1C2c3c(NCC2)cccc3	15
+CC1(C)CC(C)(C)C=C(C1)c2c(N3CCN(CC3)CC4CCOCC4)cccc2F	61
+C1CC(CCO1)C(C2CC(OC)=C(c3c(C)cc(cc3C)Br)C2=O)O	6841
+C1COCCC1CN2c3ccccc3C4(c5cc(OC)ncc5OC4)C2=O	988
+c1cc(ccc1C=CC(=O)OC)C2CCCN2CCc3c(C)nn(c3C)CC4CCOCC4	338
+FC(F)(F)c1nc(ncc1NC(CC2CCOCC2)=O)Nc3cccc(Cl)c3	1616
+C1CC(CCO1)CC(c2ncc(cc2)SC)C(=O)CCC(=O)c3ccccn3	3711
+C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4	2605
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)c4ccc(-c5sc(cn5)C(O)(C)C(OC)OC)[nH]4	3951
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)c4ccc(-c5sc(C6OC(C)(C)OC6)cn5)[nH]4	3951
+c1cc(ccc1C(C)(C)O)-c2cnc3NC(=O)CN(CCC4CCOCC4)c3n2	1368
+FC(F)(F)c1c(C(=O)N(CC2CCOCC2)C)cnc(Nc3cccc(Cl)c3)n1	1369
+C1CC(CCO1)CN(C)C(=O)c2ccc3c(non3)c2	115
+C1COCCC1CNC(=O)c2cnc(cc2)N3C(C(c4ccc(cc4C)C#N)C=N3)=O	2477
+FC(F)(F)Cc1nc2cc(N(S(=O)(=O)c3ccccc3)C)ccc2n1CC4CCOCC4	953
+CC(C)(CC)C(Nc1cc(ccc1NCC2CCOCC2)NC(C)=O)=O	26
+C1COCCC1CNc2c(N)cc(cc2)NC(C)=O	0
+C1COCCC1CNc2c(N)cc(cc2)N(C)S(=O)(=O)c3ccccc3	0
+CC(C)(C)c1n(c2ccc(N(C(=O)C)CC)cc2n1)CC3CCOCC3	849
+C1CC(CCO1)Cn2c(nc3c2ccc(N(C(=O)C)CC)c3)C(C)(C)O	953
+C1COCCC1CNc2c(cc(cc2)N(C(C)=O)CC)N	0
+CC(C)(C)OC(=O)N(CC1CCOCC1)c2n3ncc(c3nc(Cl)c2)Br	1157
+c1cc(ccc1N2CCN(CC2)C3COC3)Nc4ncnc(-c5cc(c(cc5)OCC6CCOCC6)C#N)n4	57
+C1COCCC1COc2cc(ccc2)Br	885
+FC(F)(F)C(=O)NCC=Cc1cccc(OCC2CCOCC2)c1	858
+C1COCCC1Cc2c(cc(cc2)OC)N	0
+C1COCCC1Cn2c3c(nc2C(C)(C)CC)cc(cc3)N	106
+C1COCCC1Cn2c(nc3c2ccc(S(=O)(=O)n4ncc(c4)C(=O)NC(C)C)c3)C(C)(C)CC	597
+C1COCCC1Cn2c(nc3c2ccc(S(=O)(=O)n4cc(C(O)=O)cn4)c3)C(C)(C)CC	6842
+C1COCCC1Cn2c(nc3c2ccc(S(=O)(=O)n4ncc(c4)C=O)c3)C(C)(C)CC	3952
+C1COCCC1Cn2c3c(nc2C(C)(C)OC)cc(cc3)NCC	621
+C1COCCC1Cn2c(nc3c2c4c(nc3N)cccc4)CCl	461
+CC(C)(C)OC(N1CCN(CC1)c2c3ccncc3cc(n2)-c4ccnc(NC5CCOCC5)c4)=O	70
+CC(C)(OCC)c1c(CC2CCC(CC2)(F)F)n3c(n1)cc(cc3C)C(NC4CCOCC4)=O	14
+CC(C)NC(=O)C1CCN(CC1)c2c3c(cc(n2)-c4ccnc(NC5CCOCC5)c4)cncc3	70
+C1CC(CCO1)Nc2c3c(n(C(C)C)nc3C)nc(-c4cc(O)ccc4)c2C(=O)OCC	1594
+C1CC(CCO1)Nc2cc(-n3c4c(c(C)c3)C(CC(C)(C)C4)=O)ccc2C(N)=O	6843
+C[Si](C)(C)CCOCn1cc(C(NC2CCOCC2)=O)c(n1)-c3sc4c(CCCC4)n3	597
+C[Si](C)(C)CCOCn1c2c(c(NC3CCOCC3)nc(Cl)n2)c(-c4ccncc4)c1	974
+C1COCCC1NC(=O)c2nn(c(OCc3c(onc3-c4ccccn4)C)c2)C	658
+C1COCCC1NC(c2ccc(NCc3c(noc3C)CCCC)nc2)=O	56
+C1CC(CCO1)Nc2cc(nc3cc(nn23)C(=O)OCC)Cl	1005
+C1COCCC1Nc2nc(Cl)ncc2Br	40
+C1CC(CCO1)Nc2nc(N)nc(c2N)Cl	40
+C1COCCC1Nc2c(C#N)ccc(c2)-c3cccc4C(CCCc34)=O	60
+C1COCCC1Nc2ncc3C=C(c4cc(C(=O)NC5CC5)ccc4C)C(=O)N(C)c3n2	435
+C1COCCC1Nc2ncc3C=C(C(=O)N(C)c3n2)c4cc(-c5nnc[nH]5)ccc4C	785
+C1CC(CCO1)NCCCCn2c(nc3c2nc(nc3N)OC(CCC)C)OC	284
+C1COCCC1Nc2c(cc(cc2)C(=O)O)[N+]([O-])=O	60
+C1COCCC1Nc2c(cnc(-c3c4cnccn4nc3)n2)[N+]([O-])=O	40
+C1COCCC1Nc2c3cnn(CC)c3ncc2C(OCC)=O	1594
+c12-c3c(cccc3)C(c1cccc2)COC(NC(c4nc(c5c(Cl)cccc5c4)C(=O)NC6CCOCC6)C)=O	81
+C1COCCC1Nc2cc(ccc2C#N)F	60
+C1CC(CCO1)NC(c2cnc(OCc3c(noc3C)-c4ccccc4F)cc2)=O	1650
+C1CC(CCO1)NC(=O)c2c(Oc3ccc([N+]([O-])=O)cc3F)cc4cnn(C5OCCCC5)c4c2	14
+c1cc(ccc1)-c2noc(C)c2-c3oc(-c4c(OC)cc(cc4)NC5CCOCC5)nn3	60
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(cn3)C(NC4CCOCC4)=O)F	1650
+c1cc(ccc1F)-c2c(n(nn2)C)C#Cc3ccc(C(NC4CCOCC4)=O)cn3	56
+c1ccccc1CCCN2c3nc(ncc3N(C(=O)C(F)(F)C2)C)Nc4ccc(cc4OC)C(=O)NC5CCOCC5	14
+CC1(C)C(C)(C)OB(O1)c2cnc(N(C)C3CCOCC3)cc2	234
+C1COCCC1N(c2ncc(N)cc2)C	13
+C1COCCC1N(CC)c2c3c(ccc2)C(NCc4c(O)nc(C)cc4C(CC=CC3)C)=O	104
+C1COCCC1N(c2cccc3C(=O)NCc4c(nc(cc4C(C)CCCCc23)C)O)CC	460
+C1COCCC1N(CC)c2c3CC=CCC(C)c4c(CNC(c3ccc2)=O)c(nc(c4)C)OC	2463
+C1COCCC1N(c2c(CC=C)c(C(=O)NCc3c(nc(cc3C(CC=C)C)C)OC)ccc2)CC	14
+C1COCCC1N(c2c(c(C(O)=O)ccc2)CC=C)CC	1
+C1COCCC1N2c3nc(ncc3NC2=O)Nc4c(O)nccc4	104
+C1CC(CCO1)N2C(=O)C3(COCCN3c4c2cnc(Cl)n4)C	3719
+C1COCCC1N2CCN(C(Nc3ccc(Oc4cc(ncc4)-c5cn(nc5)C)cn3)=O)C2=O	3953
+FC(F)(F)S(=O)(=O)Oc1c2c(n(C3CCOCC3)n1)ccnc2OC	3801
+C1CC(CCO1)N2C(=O)N(C(=O)c3cc(CN)ccc23)Cc4ccc(OC)c(c4)OC	107
+C1CC(CCO1)N2c3c(N(C)C2=O)cnc4ccc(Br)cc34	3954
+C1COCCC1N(C)c2ccc(cn2)[N+]([O-])=O	323
+C1CC(CCO1)N2C(NCC2)=O	6844
+C1COCCC1NC(=O)c2cc(n(CC3CCCCC3)c2C)-c4cc(C(C)(C)O)c(cc4)-c5n(ncc5)C(C)C	6845
+CC(C)(C)c1c(ccc(c1)-c2n(CC3CCCCC3)c(C)c(C(=O)NC4CCOCC4)c2)O	3955
+C1CC(CCO1)N(CC)C(=O)Cl	2703
+C1CC(CCO1)Nc2c(ccc(c2)-c3c4c(ccc3)C(CCC4)=O)C(N)=O	216
+C1COCCC1Nc2c(CNC(CCC(O)=O)=O)c(nc3c2cnn3CC)CC	4
+C1COCCC1N2C(C3N(CCOC3)c4nc(Cl)ncc24)=O	6846
+C1COCCC1Nc2ccc(cc2N)C(O)=O	0
+C1COCCC1Nc2nc(ncc2N)-c3cnn4ccncc34	193
+CN(C)C(c1c(-c2cc(O)ccc2)nc3n(C(C)C)nc(c3c1NC4CCOCC4)C)=O	211
+C1COCCC1Nc2c3c(nc(CC)c2CNC(=O)CC(=O)O)n(CC)nc3	3
+C1COCCC1Nc2c3cnn(CC)c3nc(CC)c2CNC(c4cccc(C(=O)O)n4)=O	1
+C1CC(CCO1)Nc2c(c(nc3n(CC)ncc23)CC)CNC(c4nc(C(NCc5ccc(c(c5)Br)OC)=O)ccc4)=O	81
+C1CC(CCO1)Nc2c(cnc3c2cnn3CC)C(O)=O	6
+C1CC(CCO1)Nc2cc(ccc2C(=O)O)[N+]([O-])=O	6
+C1COCCC1Nc2cc(NN)ccc2C#N	2092
+C1CC(CCO1)n2c(nc3c2ccc(C(O)=O)c3)C	849
+C1COCCC1Nc2nc(N)ncc2Br	911
+C1CC(CCO1)Nc2c(-c3c(Cl)cncc3)cnc(n2)N	6847
+C1CC(CCO1)OC(C(=O)O)c2cc(Cl)c(Cl)cc2	4
+CC(C)(C)OC(N1Cc2c(nn(C3CCOCC3)c2CC1)Br)=O	1647
+C1CC(CCO1)Oc2ccc(cc2C=O)I	624
+C1CC(CCO1)Oc2cc(ccc2Nc3c4c(sc(C(OC)=O)c4C)ncn3)F	1500
+C1COCCC1Oc2c(N)ccc(F)c2	0
+CC1(C)OB(OC1(C)C)c2cc(C#N)c(OC3CCOCC3)cc2	17
+C1COCCC1Oc2c3c(ccc2)C(c4c(cc(Nc5ccc(F)cc5F)cc4)CC3)=O	1370
+C1COCCC1S(=O)(=O)C(C)(C)C(=O)Nc2onc(C(C)(C)CNC(=O)C)c2	6848
+C1COCCC1S(=O)(=O)C(C)(C)C(=O)Nc2onc(C(C)(C)CN(Cc3ccc(cc3)OC)C(C)=O)c2	58
+C1COCCC1S(=O)(=O)C(C)(C)C(=O)Nc2onc(c2)C(C)(C)CNCc3ccc(cc3)OC	110
+C1COCCC1S(=O)(=O)C(C)(C)C(Nc2onc(C(C)(C)C=O)c2)=O	24
+C1COCCC1Sc2cc3c(Nc4ccc(Cl)c(OC)c4)ccnc3cc2	179
+C1COCCC1S(c2cc3c(nccc3Nc4ccc(Cl)c(OC)c4)cc2)=O	2033
+C1COCCC1S(=O)(=O)c2c(OC)cc3c(c(ccn3)Nc4n[nH]c(c4C)C)c2	593
+C1CC(CCO1)c2c3sc(NC(=O)N4CCOCC4)nc3c(OC)cc2	2704
+C1COC2(O1)CCN(CC2)C(=O)Nc3nc4c(s3)c(C5CCOCC5)ccc4OC	2704
+C1COCCC1c2c3sc(NC(c4cc(ncc4)CCl)=O)nc3c(OC)cc2	900
+C1CC(CCC1)C(c2c(CC)sc(C3CCOCC3)c2)Nc4ccc(cc4)C(=O)OC	6849
+c1cc(ccc1)C(=O)NC(Nc2c(OC)ccc(c2)C3CCOCC3)=S	6850
+c1cc(ccc1)C(=O)NC(Nc2c(OC)ccc(c2)C3CCOCC3)=S	865
+C1COCCC1c2c3sc(N)nc3c(OC)cc2	2705
+c1cc(ccc1C2CCOCC2)O	606
+C1COCCC1c2ccc(cc2)N	0
+C1COCCC1c2nc3c(cc(Oc4cc(Cl)ncn4)cc3[nH]2)Cl	185
+C1COCCC1n2c(ccn2)-c3cc(Br)c(cc3N)C	106
+C1COCCN1Cc2c(F)cc(c(F)c2)Nc3nc(-c4cnc(C)n4C5CCOCC5)c(cn3)F	490
+C1CC(CCO1)n2c(Cl)c([N+]([O-])=O)cn2	2706
+C1COCCN1c2ccc(cc2)C(C(C)(C)N3CCOCC3)=O	34
+C1N(CC1c2nc3cc(Cl)ccc3[nH]2)c4nc(N5CCOCC5)ncc4Cl	117
+CC(C)[Si](C(C)C)(C(C)C)n1ccc(c1)CN2CCOCC2	1015
+FC(F)(F)c1ccc(cc1)-c2c(n3c(n2)ccc(-c4ccccc4)c3)CN5CCOCC5	2093
+FC(F)(F)c1ccnc(NC(Nc2ccc(cc2)-c3c(c(n4c3c(ncn4)N)CN5CCOCC5)CC)=O)c1	6851
+C1CN(CCO1)Cc2cnc3n2c(ccc3)SCCNS(=O)(=O)C	2093
+C1CN(CCO1)Cc2[nH]c3c4c2CC5N(C#N)CC(CC5c4ccc3)C(OC)=O	6852
+C1CN(CCO1)CCC(c2cc(ccc2)-c3cc(ncc3)NC(=O)c4ccccc4)=O	1493
+C1COCCN1Cc2c(nc3n2cc(cc3)Br)-c4ccc(cc4)Cl	2093
+c1ccccc1C(N2CCn3c(ccc3C2)CN4CCOCC4)=O	6853
+CC(C)(C(=O)OC)c1c([N+](=O)[O-])cc(cn1)N2CCOCC2	244
+CC(C)(C)C(Nc1cc(ccc1)C(c2ccc3ncc(N4CCOCC4)nc3c2)=O)=O	1322
+CC(C)(C)NC(c1c(-c2ccccc2C)cc(nc1)N3CCOCC3)=O	43
+CC(C)(C)OC(N1CC(C(=O)N2CCOCC2)N(C(OCc3ccccc3)=O)CC1)=O	10
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2c3c(c(c[nH]3)CN4CCOCC4)ccc2	565
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(C(N3CCOCC3)=O)cc(Cl)cc2	30
+CC(C)(C)OC(=O)NC1CC(C(=O)N2CCOCC2)C1(C)C	10
+CC(C)(C)OC(=O)NC1CC(CN2CCOCC2)CC1	236
+CC(C)(C)OC(NCc1cc([N+]([O-])=O)cc(C)c1N2CCOCC2)=O	79
+CC(C)(C)OC(=O)Nc1sc(c(-c2ccco2)n1)CN3CCOCC3	2075
+CC(C)(C)OC(=O)c1sc2nc(C)c(c(C)c2c1N)OCCN3CCOCC3	53
+CC(C)(C)OC(C(C)(C)Sc1nc(CCOc2ccc(-c3ccc(cc3)F)cc2C(N4CCOCC4)=O)cs1)=O	30
+CC(C)(C)OC(N(Cc1cn(c(-c2ccccc2)c1)S(=O)(=O)c3cccc(C(=O)N4CCOCC4)c3)C)=O	30
+CC(C)(C)OC(=O)N1CC(NC(OCc2ccccc2)=O)CC(C(N3CCOCC3)=O)C1	10
+CC(C)(C)OC(N1CCCC(C1)Nc2cc(OC)nc(N3CCOCC3)n2)=O	3956
+CC(C)(C)OC(N1C(c2c(N3CCOCC3)nc4cc(ccc4c2)F)CCC1)=O	286
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)Nc3nc(nc(C)c3C(=O)OCC)N4CCOCC4)=O	117
+CC(C)(C)OC(=O)Nc1c(Br)c(OC)c(c(OC)c1)CN2CCOCC2	131
+CC(C)(C)OC(=O)Nc1ccc(cn1)CN2CCOCC2	6854
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(=O)N2CCOCC2)n1	10
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2nc(nc(Cl)c2Oc3ccccc3OC)N4CCOCC4	117
+CC(C)(C)c1nn(-c2ccc(cc2)C)c(NC(=O)NCc3cc(F)ccc3Oc4nc(ncc4)N5CCOCC5)c1	117
+C1CN(CCO1)C=2SC(C(=O)N=2)=Cc3cccc(-c4ccc(c(C(C)(C)CC)c4)O)c3	3602
+c1cc(ccc1CN2CCOCC2)C#Cc3ccc(cc3)NC(=O)C(C(=O)OC)C(C)C	48
+C1COCCN1Cc2nnc(-c3cnc(cc3NC(C)C)Cl)o2	960
+CC(C)OCCCn1c(nc2cnc3c(ccc(N4CCOCC4)c3)c12)COCC	1578
+CC(C)c1nc(nc(c1)N2CCOCC2)-c3ccc(cc3)Cl	54
+C1CN(CCO1)C(=O)c2ccc(-c3cnc(c(-c4nnn(c4)C(C)C)c3)N)cc2C	30
+c1cc(ccc1-c2cc(C(NCc3c(nc(C)cc3C)O)=O)c4cnn(C(C)C)c4n2)CN5CCOCC5	131
+CC1(C)C(C)(C)OB(O1)c2cncc(CN3CCOCC3)c2	565
+C1COCCN1C(C)(C)C(=O)c2ccc(cc2)Cl	1860
+CC1(C)CC2(OCCO2)CC(C)(C)N1c3nc(nc(n3)N4CCOCC4)Cl	436
+C1COCCN1c2nc3oc4c(ncnc4NCc5cnccc5)c3c6CC(C)(C)CCc26	6855
+C1COCCN1C(C)(C)C(=O)c2ccc(cc2)F	1860
+C1(CN(CC(C)O1)c2nc(nc(N3CCOCC3)c2)-n4c(nc5c(OC)cccc45)C(F)F)C	6856
+C1COCCN1Cc2nc(c3N(C=C(C(=O)c3c2)C(OCC)=O)C)Cl	6857
+C1COCCN1CCOc2cc(c(Cl)cc2Cl)-c3nc(N)nc4c3cc(C(NCC)=O)s4	6858
+C1CN(CCO1)Cc2cc(ccc2)-c3cncc4cc(C(OCC)OCC)oc34	48
+C1COCCN1c2cc(c(NC(=O)C)c([N+](=O)[O-])c2)OC	79
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2c(nc(CN3CCOCC3)c1)c(-c4cc5ccccc5nc4)cn2	315
+C1COCCN1C(c2ccc(OCc3c(noc3C)-c4ccncn4)nc2)=O	211
+C1COCCN1c2c(c(nc(Cl)n2)C)[N+](=O)[O-]	54
+C1CN(CCO1)c2c(cc(C(OC)=O)cc2)C	79
+Cc1cc(cc(C)c1OCCCN2CCOCC2)-c3nc4c(o3)nc(Cc5ccc(cc5)Cl)nc4OCCC	28
+c1cc(ccc1OC2CC(C2)N3CCCCC3)-c4sc5CN(CCc5n4)C(=O)N6CCOCC6	6859
+c1cc(ccc1OCCCN2CCCC2C)-c3sc4CN(CCc4n3)C(=O)N5CCOCC5	6860
+C1CN(CCO1)c2cc(CCl)nc(n2)-c3ccccn3	54
+C1COCCN1Cc2cc(c(s2)Cl)Br	509
+C1CN(CCO1)C(=O)c2cc(c(cc2C)[N+]([O-])=O)Cl	30
+C1COCCN1C(CCCOc2cc3ncnc(c3cc2OC)Nc4c(F)cc(Cl)cc4)=O	10
+C1CN(CCO1)C(=O)c2c3n(ccc3c(nc2)Nc4cccc(Cl)c4)CC	1369
+C1COCCN1C(=O)c2cnc(c3ncn(c23)C)Nc4cccc(c4)Cl	1369
+C1COCCN1c2ccnc(Nc3sc(-c4cc(Br)cnc4)cn3)c2	264
+C1COCCN1c2ccc(c([N+](=O)[O-])c2)C#N	202
+C1CN(CCO1)c2cccc(N)n2	43
+C1CN(CCO1)c2nc(nc3c2nc(COC(C)=O)cc3)Cl	3940
+C1CN(CCO1)c2c3c(n(cn3)CC)nc(Cl)n2	1310
+C1CN(CCO1)c2cc(ccn2)[N+](=O)[O-]	43
+FC(F)(F)Oc1ccc([N+](=O)[O-])cc1NC(CN2CCOCC2)=O	224
+FC(F)(F)Oc1ccc(cc1NC(CN2CCOCC2)=O)C(=O)Nc3ccc(-c4ccccc4F)nc3	224
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2c(N3CCOCC3)cc(c([N+]([O-])=O)c2)NCC(C)(C)O	202
+FC(F)(F)Oc1ccc(cc1)Nc2nc(Cl)nc(N3CCOCC3)n2	436
+C1CN(CCO1)CCn2nc(C)c(c2C)CC(=O)NCc3c(cc(F)cc3)Cl	1645
+FC(F)(F)c1c(ccc(N2CCOCC2)c1)C=O	34
+FC(F)(F)c1c(CN2CCOCC2)ccc(NC(=O)c3ccc(C)c(Br)c3)c1	48
+FC(F)(F)c1c(ccc(C#N)c1)Oc2ccc(C=C3SC(N4CCOCC4)=NC3=O)cc2OC	6861
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)Nc2c(nccn2)C(=O)N3CCOCC3)Cl	777
+FC(F)(F)c1c(ccc(N2CCOCC2)c1)[N+]([O-])=O	34
+FC(F)(F)c1cc(cnc1N2CCOCC2)Br	43
+FC(F)(F)c1cc2ncc(c(OCCCCCOC=3C(=O)C=C(CN4CCOCC4)OC=3)c2cc1)C(=O)OCC	2662
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(cc3)OCC(N4CCOCC4)=O)C	10
+FC(F)(F)c1cccc(c1C)Cc2c3n(nc2C)c(N)cc(N4CCOCC4)n3	790
+FC(F)(F)c1cccc2c1nccc2OCCCCCOC=3C(=O)C=C(CN4CCOCC4)OC=3	2662
+FC(F)(F)c1cnc(cc1)Nc2nccc(C(=O)Nc3cncc(c3)N4CCOCC4)c2	244
+C1CN(CCO1)C(CC(c2cc(c(cc2)OC(F)F)OCC)N3C(c4c(C3)cccc4NC(=O)C)=O)=O	10
+FC(F)c1nc2ccccc2n1-c3cc(N4CCOCC4)nc(SC)n3	54
+C1COCCN1c2ccc(c([N+](=O)[O-])c2)C#N	6862
+C1CN(CCO1)c2ncc(c(c2)N)Br	43
+C1CN(CCO1)C(c2cc(c(cc2F)N)OC)=O	30
+C1CN(CCO1)CCCc2cc(c3n2ncnc3N)Br	28
+C1CN(CCO1)CCc2nnc(s2)N	53
+C1COCCN1CC(CCl)O	170
+C1COC2(O1)CCC(CC2)N3CCOCC3	85
+O1CCOC12CCN(CC2)c3ccc(cc3)CN4CCOCC4	48
+C1COCCN1C(=O)C(=O)OCC	3957
+C1COCCN1c2c(cc(cc2)[N+](=O)[O-])C=O	202
+C1CN(CCO1)Cc2ccc(O)cc2OC	48
+C1COCCN1Cc2cc(c(Nc3ccc(nc3)OC)nc2)-c4nc(SC)nc(n4)C	565
+C1COCCN1Cc2c(F)cc(Br)c(c2)F	48
+C1COCCN1CCCCc2ccc3ncn(-c4sc(C(=O)OCC)c(n4)-c5cccc(Cl)c5)c3c2	123
+C1CN(CCO1)CC2Oc3c(ccc(S(=O)(=O)C)c3)CC2	236
+C1CN(CCO1)c2cc(S(=O)(=O)CC)c(c(c2)C)C#N	202
+O=S(=O)(Cc1nc(nc(N2CCOCC2)c1)Cl)C	54
+C1COCCN1S(=O)(=O)c2cc(c(OCCC)cc2)-c3nc4c(c(O)n3)c(nn4CCC)C	92
+C1COCCN1S(=O)(=O)c2cc3c(cc2)CCN(CC3)C(C)=O	92
+C1CN(CCO1)C2CCN(CC2)S(=O)(=O)Nc3cc(OC)nc(n3)SCc4c(c(F)ccc4)F	85
+C1CN(CCO1)CCCN2c3c(C=4C=CC(=O)N(c5c(cccc5)C)N=4)c(-c6ccc(cc6)F)nn3CC2	123
+C1COCCN1CCc2sc3c(c2)c(N)nc(-c4cccc(C#N)c4)n3	123
+C1COCCN1S(=O)(=O)c2cc(ccc2OC)F	92
+O=S(=O)(c1cc(ccc1)Cl)Nc2cc(nc3sc(C#CCN4CCOCC4)c(c23)-c5cc(ccc5)OC)C	6863
+C1CN(CCO1)S(=O)(=O)c2cccc([N+](=O)[O-])c2	92
+C1COCCN1c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-]	34
+c1cc(ccc1Br)S(=O)(=O)N2CCOCC2	92
+C1CN(CCO1)Cc2cccc(S(=O)(=O)c3ccc(nc3)C=Cc4ccc(cc4F)F)c2	48
+C1CN(CCO1)S(=O)(=O)c2cc(C(O)=O)ccc2	92
+C1COCCN1CCC(O)C	53
+C1COCCN1C(=O)C[N+]#[C-]	2642
+C1COCCN1c2c(cc([N+](=O)[O-])cn2)-n3cccn3	43
+C1COCCN1c2cc(F)c([N+]([O-])=O)cc2F	34
+C1COCCN1c2ncnc3[nH]cc(c23)-c4cccc(c4)C#N	778
+C1CN(CCO1)c2nc(Cl)nc3[nH]ccc23	778
+C1CN(CCO1)c2c(c(nc(n2)-c3cccc(O)c3)NC4COCC4)C	54
+C1CN(CCO1)c2ccc([N+](=O)[O-])cc2C	34
+C1COCCN1c2nc(N3CCC(F)C3)c(c(C)c2)[N+]([O-])=O	43
+C1COCCN1c2c(Br)cc(c(C)n2)[N+](=O)[O-]	43
+C1CN(CCO1)C(=O)c2c3c(c(Cl)nc2)ccn3C	1369
+C1CN(CCO1)c2c([N+](=O)[O-])cc(Cl)cn2	361
+C1CN(CCO1)c2c(Cl)nnc(Cl)c2	2558
+C1COCCN1c2cc(Cl)nc(-c3cccc(OC)c3)n2	54
+C1COCCN1c2nc(Cl)nc(N(C)c3ccccc3)n2	436
+C1CN(CCO1)c2nccnc2N	317
+C1COCCN1c2c3c(cc(Br)c(c3)F)nc(Cl)n2	54
+C1CN(CCO1)c2cc(F)c(c(F)c2)[N+](=O)[O-]	34
+C1COCCN1c2c(F)cc3c(c2)ncnc3O	2074
+C1COCCN1c2c(C)cc(C)c(N)c2C	79
+C1COCCN1CC(=O)c2ccc(OCCC)c(c2)-c3nc(c4n(C)nc(c4n3)CCC)O	676
+C1COCCN1c2c(cc(cc2)[N+]([O-])=O)Br	34
+C1COCCN1CC(Nc2cc([N+](=O)[O-])ccc2Br)=O	224
+C1COCCN1c2ccc([N+](=O)[O-])cc2O	79
+C1CN(CCO1)c2nc(SCC)c(c(c2)C)C(O)=O	43
+C1COCCN1C(c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2)=O	30
+C1COCCN1C(c2cc(OC)c(cc2C)[N+](=O)[O-])=O	30
+C1CN(CCO1)C(C=Cc2ccc(OCCC)c(-c3nc(c4c(n3)n(nc4C)CCC)O)c2)=O	404
+C1COCCN1c2cc3c(c(c2)[N+]([O-])=O)nc(C)n3Cc4cccc5ccccc45	1578
+C1COCCN1c2c3CCN(c4ncnc5cc(c(OC)cc45)OC)c3ccc2	79
+C1COCCN1c2ccc3c(O)nnnc3c2	2074
+C1COCCN1C(c2ccc(c(F)c2)Br)=O	30
+C1CN(CCO1)c2c(cc(cc2)C=O)[N+](=O)[O-]	34
+C1CN(CCO1)CCCCOCc2cc(Br)ccc2F	28
+C1CN(CCO1)c2ccc(c(C(NC)=O)c2)[N+]([O-])=O	34
+C1COCCN1c2cc(O)c([N+]([O-])=O)cc2	34
+c1cnccc1-c2nc3c(cc(nn3c2)Cl)N4CCOCC4	6864
+C1COCCN1c2nc(Cl)nc3CCCc23	54
+C1COCCN1c2cc(Cl)nc3c2cc(OC)cc3	264
+C1COCCN1c2cnc3cc(F)c(CC(OC)=O)c(F)c3c2	244
+c12c(cccc1)CN(C2)C(=O)Nc3ccc(cc3)-c4noc(n4)CN5CCOCC5	960
+C1COCCN1c2c3c4ccncc4[nH]c3ncn2	778
+C1COCCN1c2c3ccc4c(c3nc(Cl)n2)ccn4C	54
+C1COCCN1c2cc3c(C(CC3)=O)cc2OC	79
+C1CN(CCO1)c2nc(nc3c(cc(Br)cc23)OC)Cl	54
+C1COCCN1c2ccc3c(ccc([N+](=O)[O-])c3)n2	286
+C1COCCN1c2nc(nc3c2scc3)Cl	2094
+C1CN(CCO1)c2cc(C=C)ccc2F	79
+C1CN(CCO1)c2cc(cc(Cl)n2)Cl	43
+C1COCCN1c2nc(Cl)cc(N)c2	43
+C1CN(CCO1)C(=O)Cc2cc(ccc2[N+](=O)[O-])C	10
+C1CN(CCO1)c2nc(nc3cc(Br)ccc23)Cl	54
+C1CN(CCO1)CCCN2C(=O)CCN(CC2)C(C=Cc3ccc(c(c3)Cl)Cl)=O	183
+C1COCCN1Cc2cc3c(cc2)n(c(CN(C(=O)c4c(ccc(F)c4)F)CCC)n3)CCC	171
+C1CN(CCO1)c2c(ncc(Br)n2)N	2089
+C1COCCN1c2nc(nc(C(=O)OC)c2)Cl	54
+C1COCCN1CCOc2cc3ccc[n+](c3cc2)[O-]	28
+C1CN(CCO1)C(=O)Cc2cn(CC)c3c2c(O)cc(F)c3	10
+C1CN(CCO1)CCCOc2cc(C)ccc2OC	28
+C1COCCN1C(=O)Nc2nccc(c2)Oc3c(F)cc([N+]([O-])=O)cc3	3856
+C1COCCN1c2cc(ncc2)-c3nn(c(-c4ncoc4)n3)Cc5c(cccc5)F	1465
+c1ccccc1-c2c(ccc(CC3=C(C)C(=O)C(=C(OC)C3=O)OC)c2)C(N4CCOCC4)=O	30
+C1CN(CCO1)Cc2c(nc3ccccc3c2C(=O)NN(c4ccccc4)C(OC)=O)-c5ccccc5	619
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(N5CCOCC5)c6c(nc(cc46)Cl)C	6865
+c1ccccc1COC(=O)N2Cc3ccccc3CC2C(=O)N4CCOCC4	10
+c1cc(ccc1)COC(=O)N2CCc3nc4ccnn4c(N5CCOCC5)c3CC2	1575
+c1cc(ccc1)COc2c(CC=3C(=O)C(OC)=C(OC)C(=O)C=3C)cccc2C(N4CCOCC4)=O	30
+c1cc(ccc1)Oc2cc(ncc2C(=O)OCC)N3CCOCC3	43
+C1CN(CCO1)C(=O)c2ccc(cc2)-c3[nH]c4ncc(c(c4n3)I)Cl	30
+C1CN(CCO1)C(=O)c2[nH]cc(C)c2-c3ccc(cc3)Cl	147
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCCl	115
+c1cc(ccc1[N+](=O)[O-])-c2ncc(OC)c(N3CCOCC3)n2	54
+c1cc(ccc1N2CCOCC2)C#N	34
+C1COCCN1c2c(nc(s2)C)-c3ccc(cc3)OCCCCCOc4ccc(cc4)C#N	3934
+C1COCCN1CC(c2ccc(cc2)-c3ccccc3)=O	676
+C1CN(CCO1)Cc2ccc(cc2)C(=O)Nc3ccc(cc3)OC(=O)N(C)c4ccccc4	171
+C1COCCN1C(c2ccc(cc2)[N+]([O-])=O)C	2030
+c1cc(ccc1C(=O)N2CCOCC2)-c3nn4c(cc3)ncc4C#C	30
+C1CN(CCO1)Cc2ccc(cc2)-c3cc(ccn3)-c4n5c(nc4-c6nc(C)ccc6)ccc(c5)Cl	48
+C1CN(CCO1)c2cc(c(c(OC)c2)C(NCc3ccc(cc3)Cl)=O)F	79
+c1cc(ccc1S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3)C#CCN4CCOCC4	3958
+C1COCCN1c2cc3c(nc2NCc4ccc(cc4)OC)ccc(Br)c3	2064
+C1COCCN1Cc2ccc(cc2)CCC#Cc3ncc(Br)cc3	889
+c1cc(ccc1COc2c(cc(CN3CCOCC3)cc2)C(=O)Nc4cccnc4)F	48
+c1cc(ccc1C(OC)=O)Cc2ccc(cc2)CN3CCOCC3	889
+C1CN(CCO1)c2cc3c(C(=O)N(C)CC3c4ccc(cc4)Cl)s2	1801
+C1COCCN1Cc2cc(I)c3c(c2)C(=O)C(C(=O)NCc4ccc(cc4)Cl)=CN3C	171
+c1cc(ccc1F)-c2nc3c(ccc(N4CCOCC4)n3)n2-c5nc(ncc5)NC6CCCC6	43
+C1CN(CCO1)CCCNc2cc(ccc2)C(=O)c3c(N)n(-c4ccc(cc4)F)nc3	53
+c1cc(ccc1F)NC(=O)Nc2ccc(cc2)Oc3ncnc4[nH]c(cc34)CN5CCOCC5	315
+C1COCCN1CC(COc2cc3nccc(Oc4cc(c(cc4)NC(=O)Nc5ccc(cc5)F)F)c3cc2C#N)O	170
+C1CN(CCO1)C(=O)c2ccc(cc2)Nc3c4n(ccn4)cc(Br)n3	30
+c1cc(ccc1Nc2nc(N3CCOCC3)nc4CCCc24)C5(CCC5)C(OC)=O	117
+c1cc(ccc1Nc2sc(C(=O)c3cc([N+](=O)[O-])c(cc3)N4CCOCC4)c(N)n2)N5CCN(CC5)C	202
+C1CN(CCO1)C(=O)OCc2cnc(C)cc2	1011
+c1cc(ccc1OC)-c2ccc(CC3=C(C)C(C(=C(C3=O)OC)OC)=O)cc2C(N4CCOCC4)=O	30
+c1cc(ccc1OC)-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3nc2-c5ccc(cc5)OC	2691
+C1COCCN1CCc2nc(C(C)Nc3ncnc4c3ncn4Cc5ccc(cc5)OC)cc6cccc(Cl)c26	6866
+C1COCCN1CC(COc2ccc(cc2)C=3C(c4c(OC=3)cc(OC)cc4)=O)O	170
+c1cc(ccc1OCCCCl)-c2nc(C(N3CCOCC3)=O)co2	6867
+C1CN(CCO1)C(CO)c2cc(NS(=O)(=O)c3ccc(cc3)-c4ccc(F)cc4F)ccc2	3959
+c1cc(ccc1S(=O)(=O)Nc2ccsc2C(OC)=O)N3CCOCC3	79
+c1cc(ccc1S(=O)(=O)n2c(cc3c2nccc3)-c4c5c(n(c4)CCN6CCOCC6)cc(c(OC)n5)OC)C	183
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCN6CCOCC6)c(cc45)OC)C)C	183
+c1cc(ccc1S(=O)(=O)n2ncc3c(cc(cc23)Br)-c4nnc(CN5CCOCC5)o4)C	960
+c1cnccc1-c2cc(nnc2-c3cc4c(cccc4)cc3)N5CCOCC5	6868
+C1COCCN1C(=O)c2ccc(nc2)Cl	1558
+C1CN(CCO1)c2nnc(O)c3ccccc23	212
+C1CN(CCO1)c2ccc3c(c(O)ccc3)n2	286
+C1CN(CCO1)CCCCCCCCc2c3C(NC(c3ccc2)=O)=O	28
+C1CN(CCO1)c2ccccc2OC	560
+C1CN(CCO1)C(COc2cc([N+]([O-])=O)ccc2)=O	10
+c1cc(ccc1)-c2[nH]c3c([N+]([O-])=O)cc(cc3c2CN4CCOCC4)Cl	565
+C1COCCN1c2n3nc(cc3nc(Cl)c2)-c4ccccc4	1575
+c1ccccc1C(CN2CCOCC2)C(=O)OCC	6869
+c1cc(ccc1)C2(c3ccccc3)C(CCN4CCOCC4)CN(C2=O)CC	53
+c1ccccc1COC(NC2c3cc(ccc3N(C(C4CC4)C2C)C(=O)C)N5CCOCC5)=O	79
+C1COCCN1c2ccc(cn2)-c3cn(c4c3ccc(F)c4)S(=O)(=O)c5ccccc5	43
+C1CN(CCO1)CCCn2ccc3c(cccc23)[N+](=O)[O-]	28
+C1COCCN1C(=O)c2cnc(c3c2n(cn3)C)Cl	1369
+C1COCCN1C(=O)CN2N=Nc3c(C(=O)N)ncn3C2=O	10
+C1COCCN1c2cnc(nc2)NC3CC(CC)N(C(=O)OCC)c4ccc(OC)nc34	3937
+C1COCCN1c2nc(nc(Nc3cn(CC#N)cn3)n2)NC(C)c4ncc(cn4)F	436
+C1CN(CCO1)CCCOc2cc3cc4ncc(c(Nc5c(cc(c(c5)OC)Cl)Cl)c4cc3cc2OC)C#N	53
+C1COCCN1C(c2cn[nH]c2)=O	1020
+C1CN(CCO1)C(=O)c2c3c(cc(-c4cccnc4-c5cc(C)c(cc5)F)c2)c[nH]n3	211
+CN(C)c1nc(nc(N2CCOCC2)n1)Cl	436
+C1CN(CCO1)CCCCn2cnc3nc(NCc4ccc(c(Cl)c4)Cl)nc(O)c23	28
+C1CN(CCO1)c2c(F)c(nc(Cl)n2)Nc3[nH]nc(c3)C	54
+C1CN(CCO1)c2cncc(N)c2	244
+C1CN(CCO1)Cc2ccn(-c3c(C(=O)OCC)cccn3)n2	315
+C1COCCN1Cc2cc3c(C(Br)=CN(C)C3=O)o2	2693
+CC(C)(C)c1cc(ccc1O)CC(N(C(C(C(C)C)N(C)C(OCc2ccccc2)=O)=O)C)C(N)=O	6870
+CC(C)(C)c1nc(ncc1C(=O)OCC)N2CCOCC2	6871
+C1CN(CCO1)C(C(NN)=O)=O	6872
+C1COCCN1C(=O)COC2CCN(CC2)C(=O)c3c(ccc(c3)Cc4c5c(c(O)nn4)cccc5)F	1997
+C1CN(CCO1)C(=O)C2N=COC2c3cccnc3	6873
+C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O	9
+C1COCCN1C(=O)NC2(CCCCC2)C(=O)O	210
+C1COCCN1C(=O)Nc2nccc(c2)Oc3ccc(N)cc3F	0
+C1COCCN1C(=O)Nc2nccc(c2)Oc3c(cc(NC(=S)NC(=O)Cc4ccccc4)cc3)F	2095
+C1CN(CCO1)C(c2c(c3cc(O)c(c([N+](=O)[O-])c3s2)O)CBr)=O	6874
+C1COCCN1C(=O)c2cc(Cl)ccc2CN3CCN(CC3)C(=O)ON4C(CCC4=O)=O	613
+C[Si](C)(C)CCOCn1nc(-c2ccccc2OC)c3c1ncc(-c4ccc(O)c(C(N5CCOCC5)=O)c4)c3	391
+C1COCCN1C(=O)c2cnc(NN)cc2	383
+CC1(C)OB(OC1(C)C)C=2C=C(Nc3ccc(C(=O)N4CCOCC4)cn3)C(=O)N(C)C=2	1371
+C1COCCN1C(c2n3c(c(c2C)C(=O)O)cccn3)=O	6
+C1COCCN1C(C)(C)C(=O)c2ccc(cc2)S	3960
+C1COCCN1C(C)(C)C(=O)c2ccc(cc2)SCCS	411
+C1CN(CCO1)C(C)C(O)=O	210
+c1ccccc1-c2ccc(cc2)NC(c3ccc(OC)c(c3)NC(C(CC)N4CCOCC4)=O)=O	33
+CC(C)(C)OC(=O)N1CCC(CC1)OCC(N2CCOCC2)=O	467
+c1ccccc1COc2ccc(cc2)OCC(CNCCNC(N3CCOCC3)=O)O	122
+FC(F)(F)c1cnc(Nc2c(OC)cc(C(=O)N3CCOCC3)c(C)c2)nc1NC	55
+C1COCCN1C(c2c(cc(N)c(c2)OC)C)=O	0
+C1CN(CCO1)Cc2cc([N+](=O)[O-])c(cc2)[N+](=O)[O-]	162
+C1CN(CCO1)Cc2cc(c(Br)cc2)F	162
+C1COCCN1C(c2cnc(cc2)Nc3cc(cc4cccnc34)Cl)=O	6875
+C1CN(CCO1)C(=O)c2cnn(-c3ccc(OCCCN4CCCC4C)c(c3)F)c2	901
+c1cc(ccc1-n2cc(C(=O)N3CCOCC3)cn2)OCCCN4CCCC4C	568
+C1COCCN1C(=O)c2n3ncccc3c(C(NCc4c(cc(nc4O)C)C)=O)c2C	56
+CC(C)(C)OC(Nc1cc2c(cc1)Sc3c(C=4OC(=CC(C=4)=O)N5CCOCC5)cccc3S2)=O	6876
+c1(F)cc(cc(F)c1)N2CCCC2c3cc(cc4C(C=C(Oc34)N5CCOCC5)=O)C(OC)=O	79
+C1COCCN1C=2N=C(N(C(=O)C=2)C)CC(N3c4cccc(F)c4CC3C)=O	429
+C1COCCN1C=2OC(c3cccc4Sc5c(ccc(c5)O)Sc34)=CC(C=2)=O	477
+C1COCCN1CC#Cc2cc(cc(OCC(C)C)c2)Sc3c(cc(c(C)c3)OCC(=O)OCC)C	197
+FC(F)(F)c1cc(Oc2cc(cc(c2)Sc3cc(C)c(cc3)OCC(OCC)=O)C#CCN4CCOCC4)ccc1	197
+FC(F)(F)c1ccc(Oc2cc(Sc3ccc(OCC(=O)OCC)c(C)c3)cc(C#CCN4CCOCC4)c2)nc1	197
+C1COCCN1CC#Cc2n(C)c(c(-c3ccncc3)c2-c4ccc(cc4)F)C(=O)OC	6877
+C1COCCN1CC#Cc2cc(cc(OCC(C)C)c2)Sc3cc(C)c(cc3C)OCC(O)=O	3
+c1cc(ccc1C(Nc2ccc(c(c2)NC(=O)CN3CCOCC3)Br)=O)-c4ccccc4	67
+C1CN(CCO1)CC(C)(C)NC(=O)Cn2nc(-c3cn(nn3)Cc4ccc(cc4)OC)cc2Cc5ccc(cc5)F	9
+C1COCCN1CC(O)CN	2707
+C1COCCN1CC(O)CN2C(=O)c3c(CC2)[nH]c(C=O)c3C	413
+c1ccccc1C(CCl)CN2CCOCC2	221
+C1COCCN1CC(=O)Nc2c(Br)ccc(N)c2	0
+C1COCCN1CC(=O)Nc2cc(ccc2SC)C(Nc3ccc(-c4ccccc4F)nc3)=O	33
+c1cc(ccc1CC(NC(C(NC(=O)CN2CCOCC2)CC#N)=O)C(=O)NC(CC=3CCCC=3)C(=O)C4(CO4)C)OC	207
+C1CN(CCO1)CC(CN2CCc3c(c(C)c([nH]3)C=C4c5c(cccc5NC4=O)-c6c(c(ccc6)F)F)C2=O)O	292
+c1cc(ccc1-c2ccccc2)C(CN3CCOCC3)NC	1607
+C1CN(CCO1)CC2COc3cccc4c(C(c5ccc(cc5)OC)=O)c(n2c34)CC	6878
+C1COCCN1CC2COc3c(cccc3)N2N	1651
+C1COCCN1CC2COc3c(cccc3)N2N=O	2708
+C1COCCN1CC2Cc3ccccc3CN2	62
+C1COCCN1CCC(c2ccccc2N)=O	0
+c1cc(ccc1[N+]([O-])=O)OC(C)CCN2CCOCC2	57
+C1COCCN1CCCCc2ccc3ncn(-c4sc(c(-c5cc(ccc5)Cl)n4)C(N)=O)c3c2	1169
+C1COCCN1CCCCc2ccc3ncn(-c4nc(c(C(=O)O)s4)-c5cc(ccc5)Cl)c3c2	6
+C1COCCN1CCCN2C=3c4cc5OCOc5cc4C(C=3c6c(cc(c(OCCCN)c6)OC)C2=O)=O	18
+C1COCCN1CCCN2C=3c4cc5OCOc5cc4C(C=3c6c(cc(OC)c(OCCCN=[N+]=[N-])c6)C2=O)=O	310
+C1COCCN1CCCc2cccc(CCl)n2	3961
+C1CN(CCO1)CCNC(=O)c2cc(C)c([nH]2)C=C3c4c(ncnc4N(C)C3=O)Nc5ccc(F)c(c5)Cl	2709
+CC(C)(C)[Si](C)(C)OCCCN1C(N(C)c2nc(n(Cc3ccc(cc3)Cl)c2C1=O)OCCN4CCOCC4)=O	6879
+C1CN(CCO1)CCOC(N2CC(OCCF)C(n3c4c(nc(-c5ccc(C(C)C)nc5OC)c(C)c4)c(C)c3)C2)=O	1468
+C1CN(CCO1)CCOc2cc(ncc2)Cl	1895
+C1CN(CCO1)CCOc2cc(cc(-c3cc(nc(n3)-n4c(cc(n4)C)C)NC(C)=O)c2)F	126
+C1CN(CCO1)CCOc2ccc([N+]([O-])=O)cc2-c3n(C)ncc3	126
+C1CN(CCO1)CCOc2cc3c(ncc(c3Cl)C#N)cc2F	126
+C1CN(CCO1)CCOc2c(cc(cc2C)C=O)C	126
+c1cc(ccc1Br)OCCN2CCOCC2	20
+c1(nc(nc(C)c1C(=O)NC(CNC(c2cccs2)=O)C(OCCN3CCOCC3)=O)NCCCc4cc(O)ccc4)C	456
+C1COCCN1CCOc2cccc(c2)-c3sc4c(nccc4Oc5ccc([N+]([O-])=O)cc5F)c3	20
+CC(C)(C)OC(CCOCCOCCOCCN1CCOCC1)=O	1615
+C1COCCN1CCn2c(c(C(c3c4ccccc4c(C)cc3)=O)c5c2nccc5)C	3962
+c1cc(ccc1Cl)-c2nc3n(c2CN4CCOCC4)cc(cc3)-c5ccccc5F	89
+C1COCCN1Cc2sc(Cl)c(C(=O)CC(=O)OC)c2	3963
+C1COCCN1Cc2cc(c(Nc3ccc(nc3)OC)nc2)-c4nc(nc(N)n4)C	6880
+C1CC(CCO1)COc2nccc(C3=CN(C(=O)c4cc(oc34)CN5CCOCC5)C)c2	2710
+C1COCCN1Cc2ccc(cc2)CCC#Cc3ccc(-c4ccc(cc4)Cl)cn3	2056
+C1CN(CCO1)Cc2cc3c(cn2)N(C=C(C(OCC)=O)C3=O)C	1372
+CC(C)(C)c1ccc(cc1)Nc2c3c(nc(n2)CN4CCOCC4)CN(CC3)Cc5ccccc5	73
+CC(C)Nc1cc(ncc1-c2nnc(CN3CCOCC3)o2)Nc4ccc(cc4)C#N	201
+C1CN(CCO1)NC(c2ccc(OCc3c(onc3-c4ccc(cn4)F)C)cn2)=O	2096
+C1COCCN1NC(=O)c2cc(n(Cc3cc(Cl)cc4cc(oc34)-c5ccc(cc5)Cl)n2)C	2096
+C1CN(CCO1)NC(=O)c2cc(ccn2)Oc3cc(ccc3)NC(Nc4cc5c(cc4)n(nc5)C)=O	2096
+O=S(=O)(Nc1cc(cnc1Cl)Nc2ncccc2-c3nc(C)nc(N)n3)N4CCOCC4	2097
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1S(=O)(=O)N2CCOCC2)F	166
+C1COCCN1S(=O)(=O)c2cc(F)ccc2O	5
+CN(C)C=NC(=O)c1sc(c(C#N)c1-c2ccc(cc2Cl)Cl)N3CCOCC3	2098
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2c(C(Nc3c(C)c(N4CCOCC4)c(C)cc3C)=O)scc2	6881
+C1COCCN1c2c(C)cc(cc2)Nc3c4c(ccc(c4)-c5cccs5)ncn3	1373
+c1cc(ccc1)-n2c(ccn2)C=3C(C(OC)=CN(c4cc(F)c(N5CCOCC5)cc4F)N=3)=O	3964
+C1COCCN1c2cc(c(N3C=C(OC)C(C(=N3)C(O)=O)=O)cc2F)F	4
+C1COCCN1c2c(F)cc(N3N=C(C(=O)C(OC)=C3)C(=O)OC)c(c2)F	1181
+C1COCCN1c2cc3ncnc(Cl)c3cc2F	64
+C1CN(CCO1)c2cc(cc(c2F)C=O)CC	151
+CC(C)Oc1c(cc(cn1)-c2c(C)ncc(N)c2)N3CCOCC3	907
+FC(F)(F)c1cccc(C(=O)Nc2ccc(c(-c3cc(c(nc3)OCCOC4OCCCC4)N5CCOCC5)c2)C)c1	67
+C1CN(CCO1)c2sc(C(O)=O)c(-c3ccc(cc3Cl)Cl)c2C#N	6
+C1COCCN1c2sc(c(C(CC=O)c3cc(c(cc3)Cl)Cl)c2C#N)C(=O)OCC	465
+c1ccccc1COc2cc(-c3nc(c([N+](=O)[O-])c(C)n3)N4CCOCC4)ccc2	345
+C1COCCN1c2c(C)cc(Nc3ncnc4c3cc(cc4)I)cc2	73
+C1CN(CCO1)c2ncc(cc2-n3nccc3)N	13
+C1COCCN1c2c(O)cc(cc2)Nc3nc(c4cn[nH]c4n3)-c5cccc(NC(C=C)=O)c5	1002
+C1CN(CCO1)c2c(CNC)cc([N+](=O)[O-])cc2	42
+CC(C)(C)OC(Nc1cccc(C#Cc2cc(ccc2N3CCOCC3)[N+]([O-])=O)c1)=O	455
+C1COCCN1c2ncccc2CO	295
+O=S(=O)(C)c1cccc(-c2cc3c(cc2F)c(N4CCOCC4)nc(Cl)n3)c1	495
+C1CN(CCO1)c2nc(-c3ccc(N)nc3)nc4cc(sc24)CN5CCC(CC5)C(=O)NC	1323
+C1CN(CCC1)C2CCN(CC2)Cc3sc4c(c3)nc(-c5cnc(nc5)N)nc4N6CCOCC6	2685
+C1COCCN1c2c3sc(CN4CCN(CC4)C)cc3nc(-c5cccc6[nH]ccc56)n2	6882
+C1CN(CCO1)c2c3nc(CN4CC(C4)N5CC(NCC5)=O)sc3nc(n2)Cl	3965
+ClC(Cl)(Cl)COC(Nc1ncc(cc1)-c2nc(c3ccc(-c4cccc(c4)S(=O)(=O)C)cc3n2)N5CCOCC5)=O	278
+C1COCCN1c2nc(nc3c4c(ccc23)n(cc4)CCN(C)C)Cl	1277
+C1CN(CCO1)c2nc(nc3c4c(ccc23)n(cc4)C)-c5ccc(cc5)N	2099
+C1COCCN1c2ncc(n3cc(nc23)C=Cc4nc5ccccc5cc4)Br	3966
+C1COCCN1c2ncc(n3cc(nc23)C(NN)=O)Br	2100
+C1COCCN1c2ccnn3c2nc(CO)c3	874
+C1CN(CCO1)c2c3nc(cn3ncc2)C=Cc4nc5ccccc5cc4	3966
+C1COCCN1c2c3n(ccn2)cc(COc4ncc5c(cccc5)n4)n3	6883
+C1COCCN1c2cc(-c3c4c(ccc3)Sc5cc(NC(=O)CN(C)C)ccc5S4)nc(O)c2	224
+C1CN(CCO1)c2cc(N)c(N)c(C(=O)OC)c2	0
+C1COCCN1c2cc(C(OC)=O)c3nc([nH]c3c2)C	6884
+C1CN(CCO1)c2cc3n(c(nc3c(c2)C(OC)=O)C)Cc4cccc5c4cccc5	505
+C1COCCN1c2nc(c(N)c(Cl)c2)OC	13
+C1COCCN1c2nc(nc(c2)Cl)-c3cccc(c3)O	5
+FC(F)(F)Oc1ccc(cc1)CC(=O)N2CCC(Nc3nc4ccc(cc4c(c3)N5CCOCC5)OC)C2	554
+C1COCCN1c2cc(c(cc2F)N)F	0
+C1CN(CCO1)c2ncc(-c3cc(F)c(nc3)OC)c(Nc4c(C)c(-c5ccccn5)nc6cc(F)cc(F)c46)c2	2711
+C1COCCN1c2cc(nc(-c3ccccc3Oc4ccc(cc4C(O)=O)Br)c2)OCc5ccc(cc5)OC	1182
+C1COCCN1c2ccc(N)c(c2)[N+](=O)[O-]	106
+C1COCCN1c2c(F)cc(N3N=C(C(=O)C(=C3)OC)C(C)=O)c(F)c2	1183
+C1COCCN1c2cc(c(N3C=C(OC)C(C(=N3)C(=O)N(OC)C)=O)cc2F)F	2101
+C1COCCN1c2cc3nc([nH]c3c(c2)OC)C	2712
+C1COCCN1c2ccc([N+](=O)[O-])c(OCCC#N)c2	830
+C1CN(CCO1)c2cc(c(cn2)-c3cc(c(OC(F)F)cc3)F)Nc4c(C)c(-c5ccccn5)nc6cc(F)cc(F)c46	179
+C1COCCN1c2ncc(-c3cnc(cc3)N)c(c2)Nc4c(C)c(nc5cc(F)cc(c45)F)-c6ccccn6	1168
+O=S(=O)(Nc1c2c(cc(c1)N3CCOCC3)n(c(C)n2)Cc4c5c(ccc4)cccc5)C	1374
+C1CN(CCO1)c2cc(cc(N3CCOCC3)c2)Nc4nccc(N(C)c5cccc(Cl)n5)n4	55
+C1CN(CCO1)c2cccc(N3CC(=O)N(CC(O)CN4Cc5c(cccc5)CC4)CC3)c2	6885
+C1COCCN1c2cc(OCc3ccc(cc3)OC)nc(-c4ccccc4Oc5ccc(Br)cc5C=O)c2	46
+C1CN(CCO1)c2cc(CNCCOC)nc(n2)-c3cccc4[nH]ccc34	3967
+C1COCCN1c2c3n(ncc2)cc(C(OCC)=O)n3	1288
+FC(F)(F)c1c(C=C2Cc3c(cc(c(N4CCOCC4)c3)OC)C2=O)cc(Cl)cc1	1103
+FC(F)(F)c1c(c(Cn2c(nc3c2cc(N4CCOCC4)cc3C(OC)=O)C(F)F)ccc1)C	505
+C1COCCN1c2cc(c3nc(C)n(c3c2)Cc4c5c(ccc4)cccc5)N	13
+C1CN(CCO1)c2cc3n(Cc4cccc(C)c4F)c(C)nc3c(c2)C(=O)O	1
+C1CN(CCO1)c2cc(c3nc(C)n(Cc4cccc5c4cccc5)c3c2)C(=O)NS(=O)(=O)C	3968
+CC1(C)C(C)(C)OB(O1)c2ccc3nc(c(cc3c2)N4CCOCC4)NCc5ccc(cc5)OC	17
+C1CN(CCO1)c2c(cc(cc2)C=Cc3c4c(cccc4)[nH]n3)N	0
+C1CN(CCO1)c2ccc(c3nc(N)sc23)OC	2705
+C1COCCN1c2c3sc(-c4nc5c(n4C)cccc5)nc3c(cc2)OC	1652
+C1COCCN1c2c(cc(S(=O)(=O)NC)cc2)N	0
+C1CN(CCO1)c2ccc(N)cc2O	0
+C1CN(CCO1)c2cc(CO)c([N+](=O)[O-])cc2	41
+C1CN(CCO1)c2ccc(c(c2)NC(c3[nH]c4c(cccc4)n3)=S)OC	6886
+C1CN(CCO1)c2cc(N)c(C#N)cc2	0
+CC(C)(C)OC(=O)N1CC(CC(C1)O)CNc2c3c(nccn3)cc(-c4ccc(cc4)N5CCOCC5)n2	1165
+FC(F)(F)Oc1ccc(-c2ccc(cc2)N3CCOCC3)cc1C(=O)NC(Cc4c[nH]c5c4cccc5)CC#N	11
+c1cc(ccc1N2CCOCC2)-c3c(nc(C)s3)C4CCC(CC4C(=O)OC)F	2713
+c1cc(ccc1N2CCOCC2)-c3c(N)c(C(=O)OC)cc(n3)Br	119
+c1cc(ccc1-c2cccc3cc(sc23)C(=O)OC)N4CCOCC4	6887
+c1cc(ccc1-c2nc(N3CC4C(NCC4)C3)c5nccnc5c2)N6CCOCC6	1165
+C1COCCN1c2ccc(cc2)CNC(=O)Nc3cccc4cnccc34	282
+C1COCCN1c2cc([N+](=O)[O-])c(NC(C)=O)cc2	77
+C1COCCN1c2ccc3c(c2)c(c(cn3)C(OCC)=O)O	1861
+C1COCCN1c2ccc(cc2)Nc3nc(c4ccnc(c4n3)-c5cc(ccc5)[N+]([O-])=O)Cl	64
+C1COCCN1c2nc3ccc(c(c3cc2)Br)NC(OCc4ccccc4)=O	90
+C1CN(CCO1)c2cc3c(C(C)(C)CN3)cc2	621
+C1CN(CCO1)c2ccc3c(c(c(C(=O)OCC)cn3)Cl)c2	120
+C1COCCN1c2ccc3c(ccc(N)c3-c4c(cccc4)C)n2	890
+C1COCCN1c2nc3ccc(cc3cc2)N	0
+C1CN(CCO1)c2ccc3c(NC(=O)C4CCCC34)c2	6888
+C1CN(CCO1)c2ccnc(Nc3sc(cn3)-c4cncc(-c5cnn(c5)C)c4)c2	1029
+C1COCCN1c2c3n(ncc2)cc(C=O)n3	614
+C1CN(CCO1)c2cnc(c(c2)N)N3CCOCC3	13
+CC1(C)CN(c2c(C)c(-c3ccccc3)nc4c2cccn4)c5c1ncc(N6CCOCC6)c5	3969
+CC1(C)CN(c2c1ncc(N3CCOCC3)c2)c4c5cccnc5nc(c4C)-c6cc(F)cnc6	3969
+C1COCCN1c2cc3c(c(Cc4n5nc(Cl)ccc5nn4)c(cc3nc2)F)F	2102
+FC(F)(F)c1cccc(C(=O)Nc2cc(c(c(c2F)C(=O)c3cc4c(cc3)ncc(N5CCOCC5)n4)F)F)c1	50
+C1COCCN1c2cnc3c(cc(cc3)Sc4nnc5ccc(cn45)C(C)=O)c2	6889
+C1COCCN1c2cnc3c(cc(cc3)Sc4n5cc(ccc5nn4)C(C)=NO)c2	1375
+C1COCCN1c2cnc3c(c2)c(F)c(CC(=O)NN)c(F)c3	561
+C1COCCN1c2nc3c(ccc(C(c4cccc(NC(=O)Nc5cccc(F)c5)c4)=O)c3)nc2	124
+C1CN(CCO1)c2n3nc(-c4ccccc4)cc3nc(c2)NN	6890
+C1COCCN1c2cc(-c3cc(F)cc4c3cc[nH]4)nc(n2)-c5ccccc5	6891
+C1COCCN1c2scc(COc3ccc(C=O)cc3OC)n2	2088
+c1ccccc1CCS(=O)(=O)Nc2c(Oc3cccc(c3)OC)c(Cl)nc(n2)N4CCOCC4	570
+c1cc(ccc1)CNCc2nc(nc(N3CCOCC3)c2)Cl	294
+c1cc(ccc1)N(c2nc(N3CCOCC3)nc(-n4cncc4)n2)C	3970
+C1CN(CCO1)c2nc(nc3cc(NC(=O)C)sc23)Cl	2414
+C1N(CC1N(C)C(C)(C)C(=O)N)Cc2n(CC)c3c(c(N4CCOCC4)nc(Cl)n3)n2	566
+CN(C)C1CCN(CC1)Cc2n(CC)c3nc(Cl)nc(c3n2)N4CCOCC4	566
+c1cc(ccc1F)CNC(=O)c2c(cc(nc2N(C)CC)N3CCOCC3)C	1556
+C1CN(CCO1)c2nc(nc(c2)Cl)I	1653
+C1COCCN1c2cc(Cl)c([N+]([O-])=O)c(OC)n2	91
+C1COCCN1c2nc(Cl)nc(C=O)c2	2714
+C1CN(CCO1)c2nc(nc(Nc3ccccc3)c2)-c4cccc(O)c4	73
+C1CN(CCO1)c2cc(Oc3ccccc3)nc(-c4cc(ccc4)O)n2	185
+CC(C)(C)OC(Nc1cc(OC)c2nc(C(F)F)n(-c3nc(Cl)cc(N4CCOCC4)n3)c2c1)=O	1098
+C1COCCN1c2c3c(cc[nH]3)nc(-c4cc(ccc4)O)n2	16
+C1CN(CCO1)c2c3sc(C=O)cc3nc(Cl)n2	6892
+C1CN(CCO1)c2nc(nc3ccsc23)-c4ccc(C)c(N)c4	2099
+C1CN(CCO1)c2nc(-c3ccc(cc3)N)nc4c5c(n(cc5)CCN(C)C)ccc24	2099
+C1COCCN1c2nc(nc3n(c(CCN4CC(C4)(O)C)nc23)C)Cl	61
+C1COCCN1c2ccc3c(ccc(NC(=O)OCc4ccccc4)c3-c5ccccc5C)n2	495
+CC(C)(C)[Si](C)(C)Oc1cccc(c1)-c2c3ncn(C(C)CC)c3nc(N4CCOCC4)n2	154
+C1COCCN1c2cc(c3c(n2)n(c(n3)C)Cc4cccc5ccccc45)C(=O)O	1
+C1COCCN1c2ncc(-c3cnc(NS(=O)(=O)C)cc3)c(c2)Nc4c(C)c(nc5cc(F)cc(c45)F)-c6ccccn6	802
+CC(C)(C)OC(Nc1ncc(cc1)-c2n3c(nc(C=Cc4nc5ccccc5cc4)c3)c(nc2)N6CCOCC6)=O	6893
+C1COCCN1c2c3n(c(Br)cn2)cc(n3)C=O	614
+C1CN(CCO1)c2ncc(Br)n3cc(nc23)COc4ccc5c(cccc5)n4	1155
+C1CN(CCO1)c2ncccc2CCl	447
+C1COCCN1c2c3nc(CO)cn3ccn2	874
+C1COCCN1c2nn3cc(NC(c4c(cnn4C)C(N5CC(C5)F)=O)=O)ccc3n2	1020
+C1COCCN1c2nn3cc(ccc3n2)NC(=O)c4n(C)ncc4C(=O)O	6
+C1CN(CCO1)c2c(c(c(C(OCC)=O)s2)C(c3cc(c(Cl)cc3)Cl)CCO)C#N	237
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4csc(N5CCOCC5)n4)cc3)OC)n2	3931
+C1COCCN1c2scc(COc3c(OC)cc(cc3)CO)n2	41
+Cc1nc(ccc1[N+]([O-])=O)C=O	3971
+Cc1cccc(C)c1-c2nc(c(cc2)F)C=O	3971
+C1CS(=O)(=O)CCC1CCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc3c(n(C(C)C)c(C(=O)N4CCS(=O)(=O)CC4)c3)cc2	20
+C1CN(CCS1(=O)=O)CCN(CCN2CCS(CC2)(=O)=O)S(=O)(=O)c3c([N+](=O)[O-])cccc3	2715
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C4=NCC(S4)CC(=O)N5CCS(CC5)=O)[nH]3)c2)CC)cn1	10
+C1CS(CCN1C(=O)N2CC(c3ccc(cc3)OC(F)F)CC(C(O)=O)C2)=O	4
+C1CS(CCN1C(=O)N2CC(CC(C(OC)=O)C2)c3ccc(cc3)OC(F)F)=O	468
+c1cc(ccc1-c2cc(NC(c3sccc3)=O)ccc2C)C(Nc4ccc(cc4)CN5CCS(=O)(=O)CC5)=O	67
+FC(F)(F)C(=O)N=S1(CCN(CC1)c2ncc(cc2)C#N)=O	3972
+C1CSC2(S1)c3c(c(C)cc(C(O)=O)c3C)CCC2	595
+Cc1cc(cc(C)c1-c2cc(ccc2)C=O)OCC3(CCSCC3)O	626
+C1CC(CCS1)Nc2cc(cc(c2C)C(OC)=O)Br	231
+c1cc(C)n(c1C)-c2cc(F)c(c(F)c2)C3(CCSCC3)O	1589
+C1CC(CCS1)CCO	44
+C1CC(CCS1(=O)=O)N2c3c(N4C(C2=O)(COCC4)C)nc(nc3)Cl	991
+CC(C)(C)NC(c1sc2c(c1N)c(-c3cc(ccc3)NC(=O)N4CCSCC4)nc(n2)-c5ccccc5)=O	468
+C1CN(CCS1)C(c2c3n(ccc3c(Nc4cccc(Cl)c4)nc2)C)=O	1369
+FC(F)(F)Cc1ccc(cc1)C2CN(C(=O)N3CCSCC3)CC(C(OC)=O)C2	468
+FC(F)(F)c1c(F)cc(C2CC(C(OC)=O)CN(C2)C(=O)N3CCSCC3)cc1	468
+c1cc(ccc1)-c2nc(CCNC(=O)c3c(C(=O)N4CCSCC4)cnn3C)c(C)o2	1020
+c1cc(ccc1CC(F)F)C2CC(c3onc(n3)CCOC)CN(C(N4CCSCC4)=O)C2	468
+C1CSCCN1C(=O)N2CC(c3ccc(cc3)CC)CC(C(OC)=O)C2	468
+C1CSCCN1c2ncc(cc2)C#N	43
+c1cc(ccc1C2CN(C(N3CCSCC3)=O)CC(C2)C(O)=O)CC	4
+c1cc(ccc1NS(=O)(=O)C)C(NCCN2CCSCC2)=O	93
+C1CSCCN1c2ncc(cc2)CNC(c3ccc(cc3)-c4cc(F)ccc4)=O	14
+C1CSCCN1c2ncc(CN)cc2	388
+CC(C)(C)OC(=O)CN(CCN1c2c(cc([N+](=O)[O-])cc2)SCC1)C	303
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(nc23)-c4n5ccc(C(O)CO)cc5nn4)=O	3973
+c1ccccc1C2OC(CCC(C(CC(C(=O)N(C)C2C)CC(=O)NCc3ccc(cc3)Cl)O)O)=O	6894
+c1cc(ccc1OC)CN(c2nccs2)S(=O)(=O)c3cc4c(cc3)N(CCO4)c5ccccc5C(O)CO	3973
+c1nc(c2n1-c3c(c(C(C)C(CO)O)ccc3)OC2)C(=O)OCC	3755
+c1c(cc(c(I)c1)C=O)Br	1837
+c1c(cc(I)c(c1)C=O)Br	1837
+c1c2c(ccc(F)c2oc1)C=O	1837
+C=1(C(C(=O)OC)=C2N(CCC2)C(C=1F)=O)Cl	6895
+c1c2c(ccc1)c(F)c(nc2)O	3974
+C1CC(n2nc(c3cnc(cc23)-c4c(F)c(OC)cc(OC)c4)I)OCC1	6896
+c1(cc(-c2n(C)ncc2F)c(Cl)s1)C(=O)OC	6897
+c1c(cc2c(c(ncc2F)O)c1)Br	3974
+C1Cc2c(-c3c1c(sc3OCC)C(=O)N)n(C)nc2	767
+C(O)c1c2c(-c3c(CCC2)cccc3)ccc1	1146
+C1(c2c(CC1)cc(c(O)c2[N+]([O-])=O)O)=NO	189
+O=C1C(Cc2cc(c(c([N+](=O)[O-])c12)O)O)=Cc3ccc(c(OC)c3)OC	1103
+c1cc(ccc1CCCC)-c2c(c3[nH]c-4c(Cc5c-4ccc(N)c5)c3cc2)F	1150
+C1Cc2c(ccc(c2)F)C1O	74
+O=C(C(C#N)=C1CCc2cc(ccc12)F)OCC	6898
+c1c(cc2CCC(CC)(O)c2c1)F	6899
+[nH]1c-2c(Cc3c-2ccc(c3)F)c4c(C)cc(C)cc14	1150
+CC(Nc1c2c(CCCC2=O)c(c(F)c1)C)=O	3975
+C1Cc2c(cc(N)cc2)CCC1=O	0
+Clc1cc(Br)cc2CCC(=O)N(c12)C	239
+c12c(F)cc(Br)cc1CCC(=O)N2C	239
+N1c2c(CCC1=S)cc(cc2F)Br	199
+COc1cc([N+]([O-])=O)cc2c1NC(CC2)=O	297
+[N+](c1cc(F)c2c(CCN2)c1)([O-])=O	621
+CC(C)(C)OC(=O)Nc1c2c(ccc1)CCCN2	150
+c12c(c(C)c(c3c1CC(C)(O3)CI)C)N(CC2)C=O	6900
+c1c2c(c[nH]c2ccc1)CC(CO)NC(=O)c3cc(cc4c3OCCCC4)Br	14
+O=C1c2ccccc2C(=O)N1CC3Cc4c(O3)c5c(CCC5)cc4	332
+C1CC(=CC#N)c2c1cnc3OCCc23	2011
+c1cc(ccc1)COC(=O)Nc2ccc3c(CCC(=O)CC3)c2	90
+c1(F)c(c2CCNC(CC(OC)=O)c2cc1)Br	526
+c1cc(ccc1)NC(C(N2CCc3c(Cl)c(F)ccc23)CCO)=O	3976
+c1ccc(N)c(Nc2cc3c(C(c4ccc(OC)cc4CC3)=O)cc2)c1	1370
+C1(CCc2cc(ccc12)F)Cl	525
+c12ccccc1N(CCO)CC2	95
+C1Cc2c(nc(C)s2)-c3c(sc(C(=O)O)c13)SC	6
+C1Cc2c(nc(nc2)I)-c3c1c(nn3C)C(=O)N	247
+n1n(c2-c3c(CCc2c1C(N)=O)cnc(Nc4c(cccc4)C(C)=O)n3)C	6901
+Brc1cc2CCCNc2nc1	15
+CC(=O)N1c2c(cc(cc2C#N)CC(C)NCCOc3ccccc3OCC)CC1	6902
+FC(F)(F)COc1ccccc1OCCNC(C)Cc2cc(C#N)c3N(C(C)=O)CCc3c2	132
+COc1cc2c(cc1)C(C(CCCC)C2)=O	6903
+C1Cc2cc(OC)ccc2Sc3cccc(C(Cl)=O)c13	82
+c1cc(ccc1F)S(=O)(=O)N2CCCc3c2cc(c(c3)C)[N+](=O)[O-]	416
+FC(F)(F)c1cc(Nc2cc(cc(-c3sc(nc3)C4(O)c5c(CC4)cc(C(=O)OC)cc5)n2)C)ncc1	6904
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2cc3c(C(CC3)=O)cc2	2517
+C1(C(=O)c2c(ccc(Br)c2)CCc3c(c(ccc13)OC)C)=O	6905
+CC(C)(C)OC(N1CCc2n(nc(N3CCCc4ccc(cc34)C#N)c2C1)C5CCOCC5)=O	3723
+CC(C)N1CCCc2c1cc(C)cc2	3977
+C1Cc2ccc(nc2NC1)CCCl	221
+c1(nc2cc(ccc2nc1O)C(=O)OC)N3c4cc(OC)ccc4CCC3	6906
+c12cc([N+]([O-])=O)ccc1CCCN2C(=O)C	808
+O=S(=O)(c1c(OC)ccc(c1)Cl)N2CCCc3c2cc([N+]([O-])=O)cc3	416
+CC(C)(C)OC(N1c2c(CCC1)ccc(C(C)=O)c2)=O	603
+C1Cc2ccc(cc2NC1)COC	49
+C1Cc2ccc(cc2NC1)CO	88
+C1Cc2ccc(nc2NC1)CCC(N)=S	2670
+COP(OC)(CC(CCc1nc2NCCCc2cc1)=O)=O	3978
+C1Cc2ccc(nc2NC1)CCC#N	913
+c1c2CCC(=O)Nc2c(cc1C(=O)C)F	94
+CC1(C)C=Cc2cc(CC(NC3CCCc4ccccc34)=O)ccc2O1	9
+c12c(cccc1)CCc3c(cccc3)C2=CC4CNCCO4	215
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NC2CCC(CC2)=C3c4ccccc4CCc5ccccc35	71
+c12c(cccc1)CCc3c(cccc3)C2=CC4CNCCO4	25
+c12ccccc1CCc3c(cccc3)C2CC(O)=O	3471
+C1Cc2c(cc(c(n2)O)NC)-c3c1cccc3	6907
+C1Cc2nc(O)c(cc2-c3c1cccc3)Cl	6908
+c1c[n+](c2c(c1)CCCCC2)[O-]	341
+c1cc(ccc1CC(=O)NNC(=O)c2c(OC)c3n(c2)CCN(C)C3=O)F	2716
+C1Cn2c(C(N1C)=O)c(OC)c(c2)C(=O)O	6
+CC(C)(C)[Si](C)(C)OCC1CCn2c3ccccc3cc2C1	19
+C1Cn2c(C(N1C)=O)c(OC)c(c2)C(=O)OCC	542
+FC(F)(F)c1c(NC)nc(nc1)Nc2cnn3CCN(c23)C	486
+C1CN(C(=O)CC)CC1c2cc([N+]([O-])=O)ccc2OC	1564
+C1N(C(=O)CC)CCC1CC(NN)=O	743
+c1ccccc1COC(Nc2ccc(N3CC(N(CC3)C)=O)c(F)c2)=O	90
+C1N(C(=O)CN(c2ccc(N)cc2F)C1)C	0
+C1N(C(=O)Cc2cccs2)CCCC1C(Cl)=O	130
+C(=O)(C1CN(C(=O)Cc2cccs2)CCC1)NCC	68
+Cc1ccccc1-c2cc(c(C(=O)N3Cc4cccn4Cc5c3cccc5)cc2)OC	134
+c1cc(ccc1C)S(=O)(=O)OCCC2CCCCN2CCCCCCCCCCCCCCCCCC	36
+FC(F)(F)c1nnc2ccc(nn12)N3CCC(CC3)(c4ccc(cc4)OCCN5CCN(C(=O)C5)C)O	20
+C(OCC)(=O)c1c(sc2c1CN(C(OCC)=O)C2)N=COCC	6909
+C(C)OC(=O)N1Cc2c(C1)sc3ncnc(O)c23	1868
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(Cc2ccc(cc2)-c3cnc4C(=O)N(Cc4c3)C)C(=O)N)=O	156
+Clc1c2c(ccc1)CCN(C#N)CC2	6910
+C1C2c3cccc4N(CCN(c34)C2CCN1)C	215
+FC(F)(F)c1cccc(Oc2c(cc(COC=3C=C4N(C)CCN4C(N=3)=O)cc2)C#N)c1	2468
+C1N(C2=CC(=NC(=O)N2C1)Cl)C	6911
+c1cc(ccc1-n2nc(cc2NC3=NC(=O)CN3C(=O)C)C)F	6912
+C1N(CC1(F)F)c2c(nc(C(=O)O)cn2)Br	1
+FC(F)(F)COc1c(ncc(n1)C(=O)O)N2CC(F)(F)C2	1335
+C1N(CC1)C(c2cnc(Oc3cc(cc(OC(C)COC)c3)C(=O)Nc4nn(cc4)CC)c(Cl)c2)=O	136
+C1N(CC1)C(c2ccc(cc2)C(=O)O)=O	1
+C1N(CC1)C(c2cnc(c(Cl)c2)Oc3cc(cc(C(O)=O)c3)OC(CO)C)=O	1
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(Oc2c(Cl)cc(cn2)C(N3CCC3)=O)cc(c1)C(O)=O)C	19
+C1N(CC1)C2=NC3C(OC(CO)C(O)C3O)S2	59
+c1cc(ccc1C)S(=O)(=O)OCC2C(O)C(O)C3C(O2)SC(N4CCC4)=N3	36
+C1N(CC1)C2=NC3C(O)C(C(OC3S2)CO)OC(C)=O	59
+C1CCN1c2cc(nc3ccc(N)cc23)CCC	0
+C1CCN1c2cc(ncn2)Nc3ccc(cc3)C(O)=O	73
+C1CC2(CCN1C(Cc3cn4nc(C)sc4n3)=O)CN(C2)C5c6c(CC5)cc(-c7cc(C)ncn7)cc6	10
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CC4(C3)COC4	372
+C[Si](C)(C)CCOCn1cc(C(=O)NC(C2CC2)C(N3CC(C3)C#N)=O)c4nc(N5C(=O)c6c(C5)c(Cl)ccc6)cnc14	2717
+C1N(CC1C(=O)O)c2ncccc2Br	270
+C1C(CN1C(OCc2ccccc2)=O)C3(CC3)C(OCC)=O	6913
+C1N(CC1C(=O)N2CCCN(C(C)C)CC2)C(=O)c3cnc(C)cc3	85
+C1C(CN1c2ncccc2Br)C(=O)OC	3979
+C1C(CN1c2nc(C)nc(-n3nc(nc3C)C)c2)c4nc5ccccc5[nH]4	791
+FC(F)(F)C1CCC(CC1)Oc2ccc3cc(ccc3c2)CN4CC(C4)C(OC)=O	20
+C1N(CC1CCCCNC(c2cc3cnccc3[nH]2)=O)C(c4ccccc4)=O	81
+CC(C)(C=C(C(N1CC(C1)Cn2c3c(nc2NC(c4sc(cc4)C(F)F)=O)cccc3)=O)C#N)N(C)C	847
+C1C(CN1c2ncccc2)NC3=C(S(=O)(=O)N(C(C)C)C3=O)c4ccccc4	1904
+CC(C)(C)[Si](C)(C)OC1CN(C1)C(=O)OCc2ccccc2	19
+O=S(=O)(OC1CN(C1)C(c2nnc(-c3ccc(cc3)OC)o2)=O)C	7
+C1C(CN1C(=O)c2cc(-c3c(cc(C)cc3)C#N)cc(C(=O)O)c2)O	6
+C1C(CN1CCc2c(cccc2)N3CCCCC3=O)OS(=O)(=O)C	7
+O=S(=O)(OC1CN(C1)c2c(c3N(C=C(C(=O)OCC)C(c3cc2F)=O)C4CC4)F)C	7
+CC(C)(C)[Si](C)(C)OCCN(C(c1nc(N2CC(C2)O)sc1)=O)C	19
+C[Si](C)(C)c1c2n(Cc3cc(F)ccc3)c(C(=O)Nc4cnc(cc4)N5CC(C5)O)cc2ccc1	510
+C[Si](C)(C)c1cc2c(cc(C(=O)Nc3cnc(cc3)N4CC(C4)O)n2Cc5cccc(F)c5)cc1	510
+C1N(CC1O)c2ncc(cc2)N	13
+c1ccccc1NC(c2cnc(cn2)N3CC(C3)Oc4cc(ccc4Br)F)=O	466
+C1C(CN1C(Nc2cccnn2)=O)Oc3ncc(-c4c(c(ccc4)OC)F)cc3	89
+C1C(CC1)(CCN2CC(C2)Oc3ccc(cc3)Cl)NC(Nc4nnc(CC)s4)=O	238
+C1N(CC1Oc2ncc(cc2)-c3cc(O)ccc3)C(Nc4cnccc4)=O	796
+C1C(CN1C(N)=NO)c2onc(-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)n2	3699
+c1c2c([nH]c3C(CC=C)(CN(Cc23)C)C)ccc1C	518
+c1cc(ccc1C2C(c3ccc(c(c3)F)Cl)=C(c4cc(ccc4O2)OC5OCCCC5)C)OCC(C)N6CCC(CF)C6	669
+C1N(CCC1COC(=O)Nc2c(cccc2)-c3cc(CO)ccc3)C	11
+FC(F)(F)c1cc(C(NCC(=O)NC2CCN(C2)C3CCCCC3N=[N+]=[N-])=O)ccc1	9
+FC(F)(F)C(NCCNC1CN(c2ccnc3ccc(OC)nc23)CC1)=O	605
+Clc1cccc(C(NCc2cc(OCC3CN(C)CCC3)c(Cl)cc2)C)c1	72
+C1N(C)CCCC1Cn2cc(-c3cc(C#N)ccn3)nc2	871
+C1N(CCCC=O)C(=O)CCCCC1	465
+Nc1cc(C)cc(-c2sc(nc2Cl)N3CCCNC(=O)C3)c1	836
+Cc1nc(N)nc(NCCCC)c1Cc2c(OC)cc(cc2)N3CCN(CC3=O)C	654
+c1ccccc1-n2c(cc(n2)-c3cccnc3)NC(NC4C(c5cc(F)c(cc5)F)CN(CCOC)C4)=O	6914
+C(COc1cc(C(Nc2sc3CN(CCc3n2)C)=O)ccc1)(Nc4cccc(C#N)c4)=O	900
+Nc1sc2CNCCc2n1	526
+C1N(CCc2c3C(N(C=Nc3sc12)CCCl)=O)C	6915
+C1N(CCc2ccnc3c2nc(OC)cc3)CCCC1CNCc4ccc5c(n4)NC(=O)CS5	294
+CN(C)CC(=O)N1c2ccc([N+]([O-])=O)cc2CC1	224
+CN1C=C(C=C(C1=O)Nc2cccc(N3CC(NC(C=C)=O)CCC3)n2)Br	523
+c1cc(ccc1S(=O)(=O)Cl)C(=O)N2CCN3CCCC3C2	115
+O(c1nnc(cc1)Cl)C2CCN3CCCC2C3	485
+O=S(=O)(C)OCC1CN2C(CC1)CN(CC2)c3noc4ccccc34	7
+O=Cc1cc(ccc1O)-n2nncn2	6916
+c1(Cl)cc2c(C=O)c[nH]c2nc1	6917
+Fc1cc(cc(F)c1O)C=O	1934
+O=Cc1cc(cc(Cl)c1O)Br	1934
+c1(O)c(cc(cc1F)Br)C=O	1934
+N1C(CN=C(c2c([N+]([O-])=O)cccc2)c3ccsc13)=S	2718
+N#Cc1c(OCCOCCOC)cc2c(C(c3c(cccc3)Cl)=NCC(N2)=S)c1	199
+Clc1cc(c(cc1)C2CNC(=O)C2)Br	480
+C1NC(=O)CC1c2ccc(Cl)c(N)c2	0
+c1ccccc1CCCOc2cc(ccc2OC)C3CNC(=O)C3	8
+c1c(ccc(c1Cl)Cl)C=CC(=O)N2CCNC(CC2)=O	404
+FC(F)(F)c1cnc(cc1)N2CC(NCC2)=O	3980
+O=S(=O)(Cc1c(OCCN2CC(NCC2)=O)cc(C(Nc3ccc(Cl)c(-c4ccccn4)c3)=O)cc1)C	1508
+c1([N+]([O-])=O)ccc(N2CC(=O)NCC2)nc1	3980
+O=C(N1CC(=O)NCC1)c2c(c(c(cc2)F)Cl)Cl	6918
+c1cc(ccc1C2CN(CC(=O)N3CCNC(=O)C3)C(=O)C2)Cl	348
+c1cc(ccc1)CCN2CCNC(=O)C2	1508
+CC(C)(C)OC(=O)N1C(Cc2c3c(cccc3)[nH]c2C1)C(=O)O	663
+n1cccnc1-c2c(C(N3C(CCC(O)C3)C)=O)ccs2	3866
+C(C)OC(=O)N1C(CNC(C1)C)C	66
+c1([N+]([O-])=O)ccc(c(F)c1)N2C(CNC(C)C2)C	34
+C1NC(NCC1)=NCCCOc2ccc3CC(CC(O)=O)c4c(Cc3c2)cccc4	3
+c1cc(ccc1[N+]([O-])=O)N2CCC3C2CCN3	34
+O=S(=O)(N1CC(Nc2c(C(=O)N)cnn3c2cc(Br)c3)C(C)C1)C	112
+c1(NC2CN(c3ccc(cn3)C#N)CC2C)c(C(=O)N)cnn4c1cc(c4)Br	323
+C1CC1C2(CN(C2)c3cc(Nc4n[nH]c(c4)C)nc(n3)SC)F	54
+C1C(CN1c2nc(S(=O)(=O)C)nc(c2F)Nc3cc(n[nH]3)C)(F)C4CC4	54
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(ccc(F)c2Cl)F)=O)C3CCCCN3C	112
+C1N(CC1(C(=O)N)NCC)c2ccnc3c(c(nn23)-c4c(cccc4)Cl)I	1575
+C1C2(CN1c3c([N+](=O)[O-])cc(c(c3)OC)Nc4nccc(n4)-c5cnn6c5CCCC6)N(CCC2)C	34
+CC(C)(C(c1cc(cc(c1)F)C(=O)OCC)C2CN(C2)C(c3ccc(cc3)C#N)c4cccc(c4)C#N)F	1109
+C1C(CN1C(c2cccc(c2)C#N)c3ccc(cc3)Cl)C(C(C)(C)F)c4cc(cc(F)c4)C(=O)OCC	1109
+CC(C)(C)OC(=O)NCCCN1CC(C1)Cc2ccc(cc2)Cl	28
+C1C(CN1CC2Oc3c4ccc(C)nc4ccc3OC2)Cc5cn(c6c5cc(F)cc6)C	2510
+C1C(CN1C(c2cnn(C)c2C(=O)Nc3ccn4nc(nc4c3)N(C)C)=O)F	1020
+FC(F)(F)COc1cc(ccc1Br)C(N2CC(C2)F)=O	30
+C1C(CN1c2ncnc3c2c(I)nn3C)F	1577
+FC(F)(F)c1cc(Br)cc(C(N(CC(CCN2CC(C2)N3C(COCC3)CCO)c4ccc(cc4)F)C)=O)c1	61
+C1N(CC1N2CC(C2)NC(=O)C=C)C(CNc3cc(c(Cl)cc3O)Cl)=O	10
+c1cc(ccc1C(Nc2nc(Nc3cnccn3)cc(n2)N4CC(C4)NC(C)=O)C)F	54
+O1CCOC1c2cnc(cc2)-c3sc4c(nccc4Oc5ccc(cc5F)NC(=O)NC6CN(C6)C)c3	113
+C1OCC1N2CCC(CC2)c3cc(N4CC(C4)OC)nc(c3)Cl	43
+C1C(CN1c2ncc(cn2)C(=O)OC)OC	117
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)N2CC(C2)OCCOC3CCCCO3	560
+C1C(CN1c2cnc(cn2)C(OC)=O)Oc3cc(ccc3Br)F	317
+CC(C)(C)OC(NC(CCN1CC(C1)Oc2ccc(cc2)Cl)COC)=O	183
+CC(C)(C)OC(=O)NC1(CCC1)CC(=O)N2CC(C2)Oc3ccc(cc3)Cl	10
+C1C(CN1C(Oc2ccc(cc2)[N+]([O-])=O)=O)Oc3ccc(Br)cn3	66
+c1cc(ccc1)C(c2ccccc2)(O[SiH2]C(C)(C)C)C(CCN3CC(C3)S(=O)c4ccc(cc4)Cl)NC(OC(C)(C)C)=O	183
+c1(Cl)cncc(Cl)c1N2CC(C2)c3[nH]c4c(n3)ccc(C)c4	264
+C1N(CC1c2onc(n2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)C#N	739
+C1C(CN1C(=O)c2[nH]c3ccccc3n2)c4nccnc4Cl	2090
+C1NCC2C(C)c3cc(Cl)c(cc3C12)O	5
+C1NCC2C(C)c3cc(Cl)c(cc3C12)OC	196
+c1cc(ccc1)COC(=O)N2CC3C(=O)CCC3C2	66
+c1nc(ncc1C(OCC)=O)N2CC(Oc3ccccc3OCC)CCC2	117
+CC(C)c1c(C)nc(SC)nc1N2CCOc3ccc(cc3C2)-c4cc5nc([nH]c5cc4)C	54
+CC(C)(C)OC(=O)N1CCc2sccc2CC1	23
+c1ccccc1CSc2nc(N3Cc4n(CC3)ccn4)c(C(OC)=O)c(NCc5ccc(c(c5)Cl)OC)n2	54
+FC(F)(F)c1cnn2c(ncc2-c3cccc(c3)-c4cnccc4)n1	6919
+C(#N)c1c(-c2cc(N)c(cc2)-n3nccc3)cccc1	749
+C(#N)c1c(cccc1)-c2cc([N+]([O-])=O)cc(F)c2	749
+c1cc(ccc1OCCN2CCOCC2)-c3cc4c(C=O)c[nH]c4cc3Cl	749
+c1cc(ccc1OCCO)-c2c(F)c3c(C=O)c[nH]c3cc2F	749
+c1cc(ccc1NC(Nc2c(c(C3CC3)cc(-c4c(cccc4)C#N)c2)OCCC)=O)C5CC5	749
+c1ncccc1-c2cccc(Br)c2	6920
+C1(c2nc3cc(ccc3n2-c4cccc(C(=O)OC)c4C)F)CCCO1	3981
+C1SC(N)=NC2(c3c(F)ccc([N+]([O-])=O)c3)C1CC(CO)OC2	6921
+C1(OC2CC(CC(c3ccc(c(c3)Cl)Cl)C(=O)OC)CC2)CCCCO1	434
+O=C(O)c1ccc(c(F)c1Nc2c(F)cc(cc2)C#CCOC3OCCCC3)F	275
+C1OC(CCC1)OCC(n2c3c(c(C(=O)c4cncc(N)c4)c2)cncn3)C	3982
+C1OC(CCC1)OCC(n2c3c(c(C(=O)c4cncc(N)c4)c2)cncn3)C	3983
+CC(C)c1cn(nn1)CC(=O)Nc2cncc(c2)C(=O)c3c4c(ncnc4)n(c3)C(COC5CCCCO5)C	469
+c1c2c(ccc1)nn(n2)CC(Nc3cc(cnc3)C(=O)c4c5c(ncnc5)n(c4)C(COC6CCCCO6)C)=O	469
+C1OC(CCC1)OCC(n2c3c(c(C(=O)c4cc(cnc4)Br)c2)cncn3)C	6922
+C1OC(CCC1)OCC2CCc3cc(NC(C)=O)ccc3O2	125
+CC(=O)Nc1ccc2c(CCC(CO)O2)c1	168
+C1OC(CCC1)OCC2CCc3cc(N)ccc3O2	0
+C1CC12CCC(COC3CCCCO3)N2C	6923
+C1OC(CCC1)OCC2Oc3c(N)cc(cc3CC2)F	0
+C=1C(=O)C(OCCCCn2ccc3ccccc23)=COC=1COC4OCCCC4	339
+CC(C)(C)[Si](C)(C)OC1(CCN(CC1)C(=O)OC(C)(C)C)c2n(CCOC3CCCCO3)cc(n2)-c4ccc(c(C)c4)F	541
+c1c(OCCOC2OCCCC2)c(cc([N+]([O-])=O)c1)OC	8
+c1cc(c(C=O)c(F)c1OCCOC2OCCCC2)F	8
+c1cc(OC)cc(C=O)c1OCCOC2OCCCC2	8
+O=S(=O)(c1c(F)ccc(F)c1)N(COC)c2c(c(ccc2)-c3nn(cc3Br)CCOC4OCCCC4)F	338
+C1OC(CCC1)OCCOc2cccnc2CO	458
+c1ccccc1CCCC(C)(Cc2ccc(cc2)OCCOC3CCCCO3)C(=O)OCC	8
+c1cc(ccc1CC(Oc2ccccc2)C(OCC)=O)OCCOC3CCCCO3	8
+c1cc(ccc1C(C)C)OC(Cc2ccc(cc2)OCCOC3OCCCC3)(C)C(=O)OCC	8
+c1cc(ccc1)COc2ccccc2OCCOC3OCCCC3	8
+c1c2nccc(c2ccc1OCCOC3OCCCC3)-c4c5n(nc4-c6ncccc6)CCC5	8
+C1OC(CCC1)OCCC#CCO	6924
+c1cc(ccc1OCC#CCCOC2OCCCC2)S(=O)(=O)N3C(C(=O)OC)C(C)(C)SCC3	6925
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC#CCCOC3OCCCC3	6926
+c1cc(ccc1)COC(=O)CCOC2OCCCC2	283
+c1(C)cc(cc(C)c1Br)OCCCOC2CCCCO2	8
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCCCCCCCCCC#CCCCCOC3CCCCO3	2354
+CC(C)(C)OC(COCCCCOC1CCCCO1)=O	337
+O=C1N(c2c(cc(cn2)Oc3cncc(Cl)c3)C(N1CCCOC4OCCCC4)=O)C	3984
+CC(C)(C#N)c1nn(-c2cc(OCCOC3CCCCO3)ccc2)c(N)c1	20
+C1OC(CCC1)OCCOc2nc(Oc3ccc(Br)c(C=O)c3)ccc2C#N	136
+O=S(=O)(C)OCc1ncccc1OCCOC2CCCCO2	710
+CC1(C)OB(OC1(C)C)c2c(C=O)cc(Oc3ccc(c(OCCOC4CCCCO4)n3)C#N)cc2	17
+FC(F)(F)C(c1ccc(cc1CCOC2CCCCO2)OC)(O)C	6927
+c1(cc(CCOC2OCCCC2)ccc1)C=O	146
+c12c(c(c(Cl)cc1C)COC3OCCCC3)cc[nH]2	1654
+CC(C)C(NCc1cncc(c1COC2OCCCC2)Cl)=O	68
+CC(C)(C)OC(=O)CC(c1cc(-n2c(cnn2)COC3OCCCC3)ccc1)=O	6928
+CC(C)(C)OC(N1CCC2(CC1)Oc3ccc(C=CC(NOC4OCCCC4)=O)cc3C(C2)=O)=O	793
+CC(C)CC(C(=O)NOC1CCCCO1)C(CCC)O	293
+CC(C)CC(C(=O)NC(CCc1ccccc1)C(=O)NC)CC(=O)NOC2CCCCO2	293
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCC(S(=O)(=O)C)(C(NOC3CCCCO3)=O)C	293
+CN(C)c1ccccc1CN2CC(CC2)Nc3cnc(C=CC(NOC4CCCCO4)=O)cn3	793
+O=S(=O)(C(CCc1ccc(cc1)Br)(C(NOC2CCCCO2)=O)C)C	293
+O=S(=O)(C)C(CCn1ncc(-c2cnccn2)c1)(C)C(NOC3CCCCO3)=O	1376
+C1CC1C#Cc2cc(no2)CCC(S(=O)(=O)C)(C)C(NOC3CCCCO3)=O	293
+O=S(=O)(c1ccc2ncnc(Nc3cc(ccc3)C#C)c2c1)n4cc(cc4)C=CC(=O)NOC5OCCCC5	793
+O=S(=O)(n1cc(cc1)C=CC(=O)NOC2OCCCC2)c3cc(ccc3)Br	793
+c1cc(ccc1)C=2C=CN(C(=O)C=2C)CCC(C)(C(NOC3CCCCO3)=O)S(=O)(=O)C	293
+c1cc(ccc1)CN2CCC3(CCC2)Oc4c(cc(C=CC(NOC5OCCCC5)=O)cc4)C(C3)=O	793
+O=S(=O)(C(CCc1ccc(cc1)-n2cccn2)(C(NOC3CCCCO3)=O)C)C	293
+c1cc(ccc1CCC(C(=O)NOC2CCCCO2)(S(=O)(=O)C)C)Oc3ccccc3	293
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(NOC3OCCCC3)=O)=O	793
+c1cc(ccc1C(=O)N(C(C(NOC2CCCCO2)=O)(C(NC)=O)C)C)I	6929
+c1ccccc1CS(=O)(=O)n2cc(C=CC(=O)NOC3OCCCC3)cc2	793
+c1nc(ncc1C(=O)NOC2CCCCO2)N3Cc4[nH]c5ccccc5c4CC3	6930
+C(OC(=O)CC1OB(c2cc(cc(C)c12)O)O)C	805
+C(OC(=O)CC1OB(c2cc(O)cc(Cl)c12)O)C	805
+FC(F)(F)S(=O)(=O)Oc1cc(OC2OCCCC2)cc(c1C=O)Cl	166
+FC(F)(F)Oc1ccc(cc1)COc2nc3c(cc2)cc(OC4CCCCO4)cc3	1155
+C1OC(CCC1)c2c(c(nc(C)c2C#N)Cl)C#N	1655
+C(#N)c1c(nc(c(c1C2OCCCC2)C#N)C)S	3985
+C(F)C1(CF)OCC(CO1)COc2c(C)c(CO)ncc2	813
+c1cc(OC)c(CC2COC(=O)N2CCC)cc1Br	3986
+c1(c(F)c(OCC(O)C)c(cc1)[N+]([O-])=O)F	168
+C1OC(CF)(CF)OCC1COc2c(C)c([n+]([O-])cc2)C	857
+C(C#CCCCCCCCC#C)CCCO	168
+O=C(C)OC1COC(n2c(Br)nc3cc(c(F)cc23)F)C(O)C1O	59
+c1c(F)c(ccc1F)C(C(C)c2ncccc2)(Cn3ncnc3)O	1377
+c1c(F)c(ccc1F)C(C(C)c2cccnc2)(Cn3ncnc3)O	1377
+C1CC2(OCC(CO2)COc3cc[n+]([O-])c(c3C)CO)CCO1	3987
+c1(ccc(cc1Br)F)C2C(C(=O)OCC)=C(N=C(c3sc(OC)cn3)N2)CN4C(CO)COCC4	2644
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ccc(CN5CCOCC5=O)cn4	3463
+C1C(CO1)(C)C(c2ccc(C)o2)N	18
+C1OCC1(C(N=[N+]=[N-])c2oc(C)cc2)C	6931
+CC(C)(C)OC(=O)N1c2cc(Cl)ccc2C(=Cc3c(ccc(c3)Cl)OCC4(COC4)C)C1=O	1881
+C1C(CO1)(COC)CBr	76
+C1C(CO1)(CO)Cn2cc(cn2)[N+]([O-])=O	338
+C1OCC1(CC(=O)N)N	728
+c1cc(ccc1S(=O)(=O)OCC2(COC2)C)C	36
+C1OCC1(CC(=O)O)c2ccc(cc2)OCc3cc(-c4c(C)cc(cc4C)OCC5COCC5)ccc3	3
+c1cc(ccc1-c2cc(COc3ccc(cc3)C4(COC4)CC(OCC)=O)ccc2)O	11
+C1OCC1(c2ccc(cc2)OCc3cc(-c4c(C)cc(cc4C)OCC5COCC5)ccc3)CC(=O)OCC	267
+FC(F)(F)COc1c(C2CC2)ccc(C(NC3(COC3)c4nccs4)=O)n1	81
+c1cc(ccc1)CNC2CCC3(CC2)COC3	87
+c1cc(ccc1O)C2(COC2)CC(=O)OCC	6932
+CC(C)(C)OC(N1CCN(C2COC2)C(C1)CO)=O	85
+CC1(C)N(CCN(C1)c2ccc(cc2OC)[N+](=O)[O-])C3COC3	85
+C1OCC1N2CCN(C(C2)CC)c3ccc(nc3)NC4=CC(=CN(C4=O)C)Br	85
+O=S(=O)(CCC)NCc1ccc2c(C(Cc3ccccc3)C(CC2)NC4(COC4)C#N)c1	6933
+FC(F)Oc1cc(-c2nc(nc(c2)C3CCN(CC3)C4COC4)C5CC5)cnc1N	85
+C1C(CO1)N(Cc2n(nc(c2)[N+]([O-])=O)C)C	85
+C1C(CO1)N2Cc3cc(NC4=CC(=CN(C4=O)C)Br)nn3CC2	85
+c1cc(ccc1CN2c3c(C(=O)N(C2=O)Cc4ccc(cc4)C(NCC5COC5)=O)cccc3)C	14
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)NC3COC3	6934
+FC(F)(F)c1c(N)ncc(c1)-c2nc(N3CC(C3)OC)cc(C4CCN(CC4)C5COC5)c2	1608
+CC1(C)OB(OC1(C)C)C=2C=C(Nc3ncc(N4C(CN(CC4)C5COC5)CC)cc3)C(=O)N(C)C=2	1371
+C1C(NC(=O)c2cncc(N)c2)(CCO1)C(=O)O	1317
+CC(C)(C)OC(=O)N1CC(c2cccc(c2)F)NC(=O)C13COCCOC3	1568
+c1([N+]([O-])=O)cc-2c(OCc3n-2cc(C(=O)OC)n3)cc1	31
+C1c2c(c(F)c(F)c(OCOC)c2I)OCC1	184
+O=S(=O)(c1ccccc1F)Nc2ccc3C4C(COc3c2C(OC)=O)OCC4	69
+FC(F)(F)S(=O)(=O)Oc1cccc2c1NC(CNC(=O)C)CO2	166
+c1cc(ccc1C)SC(CCCCCN2Cc3cc4c(cc3CC2)OCO4)c5ccc(c(c5)OC)OC	28
+C(NCCCNc1cc2OCOc2cc1)C3COc4ccccc4O3	15
+c1cc(ccc1OC2CCCN(Cc3ccc4c(c3)OCO4)C2)N	171
+c1ccccc1C(c2ccccc2)(C3CN(Cc4ccc5OCOc5c4)CC3)C(N)=O	171
+C1Oc2ccc-3c(c2C1)C(=CC#N)c4c-3cccc4	2719
+C1Oc2cccc(c2NC1CNC(C)=O)OC	206
+C1Oc2c(c(ccc2)O)NC1CNC(C)=O	5
+O=S(=O)(c1ccc(cc1)C)OCC2Nc3c(OC)cccc3OC2	36
+CC(C)(C)OC(N=C1NC2(COC(CC2CS1)CO)c3cc([N+](=O)[O-])ccc3F)=O	2720
+C1SC=2C(N3C(C=CC(C(=O)N)=C3)=NC=2C1)=O	6935
+C1SC=2C(N3C(C=CC(=C3)C(=O)O)=NC=2C1)=O	108
+C1SC=2C(N3C=C(c4nnn[nH]4)C=CC3=NC=2C1)=O	6936
+C1SC=2C(N3C(C=CC(C#N)=C3)=NC=2C1)=O	6937
+C(=O)(Cc1ccc2SCc3c(cccc3)C(=O)c2c1)OCC	1643
+c1ccccc1COC(N2CCc3c([nH]c4c3cccc4)C2)=O	613
+c1ccccc1COC(N2CCc3c([nH]c4c3cccc4)C2)=O	66
+C1c2c(cncc2C(NC(CC)=O)C1)-c3cc4CCC(N(c4cc3)C)=O	156
+c1c(sc(-c2cc3CN(C(c3cc2)=O)C)c1)I	1927
+C1Cc2c(C(c3cccc(c13)O)=O)ccc(Cl)c2	5
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(=O)c2cc1	166
+c1c2CCCC(c2ccc1OCCCl)=O	267
+O(c1cc2CCCC(c2cc1)=O)c3ncc(cc3)C(=O)N	136
+C1c2c(Br)cncc2C(NC(CC)=O)C1	9
+C1CC(Cc2c1c(ccc2)O)O	100
+c12c(CC(C1)(C(NC)=O)CCCCCCCCO)c(c(OC)c(OC)c2OC)OC	9
+C1C(Cc2cc(Oc3ncc(cc3)C(=O)N)ccc12)C=O	24
+C1C(CO)Cc2ccc(O)cc12	6938
+C1c2c(CC1Nc3nc4CCN(C(c5ncc(cc5)-c6nn[nH]c6)=O)Cc4cn3)cccc2	6939
+C[Si](C)(C)C#Cc1cnc(cc1)C(N2Cc3c(CC2)nc(NC4Cc5c(C4)cccc5)nc3)=O	683
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(OCCCc5c[nH]nn5)=O)cccc2	6940
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(OCCCC#N)=O)cccc2	913
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(=O)OCCCc5nnn[nH]5)cccc2	3988
+C[Si](C)(C)C#Cc1cc(C(=O)N2Cc3cnc(NC4Cc5ccccc5C4)nc3CC2)cnc1	683
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(=O)OCCCCl)cccc2	66
+C1c2c(CC1Nc3nc4c(CN(C(=O)c5cncc(Br)c5)CC4)cn3)cccc2	211
+C1c2c(CC1Nc3nc4CCN(C(c5ncc(Br)cc5)=O)Cc4cn3)cccc2	147
+c12c(OC(N)=C(C#N)C1c3cc(c(c(c3)OC)OC)Br)c4CCCCc4cc2	6941
+CC(C)Oc1c(ccc2c1CCCC2)OC	521
+FC(F)(F)c1cc(NC(=O)c2nccc(N3Cc4c(C3)cnc(SC)n4)c2)ccc1	1465
+FC(F)(F)c1cc(ccc1)N2C3=C(C(=O)CCC3)C(c4ccc(cc4)C#N)N(CC(=O)N5Cc6c(n(nc6)C)C5)C2=O	10
+Clc1c2c(c(Cl)s1)CNC2	2721
+OC1c2cc(cc(F)c2CCC1)Br	74
+c12N(C)C(=O)CCc1cc(cc2)-c3cc(ccc3)F	239
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCO)OC)OC	44
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCN3C(c4c(cccc4)C3=O)=O)OC)OC	1656
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCNC(=O)C)OC)OC	68
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCN)OC)OC	45
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCOS(=O)(=O)C)OC)OC	7
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCI)OC)OC	572
+c1ccccc1-c2c(-c3ccccc3)ncc(N(C)C4CCc5c4cccc5OCOC)n2	317
+C(c1cc2c(cc1)C(Cc3c(S2)cccc3)=O)O	49
+C1CCOc2c1c(I)c(O)c(F)c2F	241
+C1c2c(cc(c(c2)O)F)CCC1C(=O)O	5
+C(OC)(=O)C1Cc2c(cc(c(c2)O)F)CC1	27
+C1c2c(cc(cc2Cl)F)C(C1)(O)CC(=O)O	3
+Ic1cc2c(CCNC2=O)[nH]1	3989
+C1c2c(ccc(Br)c2)CC1N3C(=O)CN(CCc4cc5COC(=O)c5cc4)CC3	2575
+C(OC)(=O)C1Cc2c(ccc(c2)O)CC1	27
+c1cc(ccc1)C(=C2c3ccccc3N(C2=O)C(C)=O)OCC	6942
+c1([N+]([O-])=O)ccc2c(CC(=O)N2C(=O)C)c1	31
+c1cc(ccc1C(=O)N2c3c(cccc3)Cn4c(C2)ccn4)[N+]([O-])=O	448
+[N-]=[N+]=NC1CCc2c(cccc2F)NC1=O	6943
+CC(C)(C)OC(COc1cccc2c1CCCC2=O)=O	52
+Clc1ccc(c(COc2c3CCCC(c3ccc2)=O)c1)Br	22
+c1cc(ccc1)COc2c3c(ccc2)C(CCC3)=O	22
+c12CCCC(c1cncc2Br)=O	6944
+C1c2c(nc(C(=O)O)s2)CC1	6
+FC(F)(F)c1cc(COc2ccc3c(c4CCC(c4[nH]3)CC(OCC)=O)c2)ccc1CC5CCCCC5	22
+FC(F)(F)c1cc(ccc1OCC2CC2)COc3ccc4c(c5CCC(c5[nH]4)CC(OCC)=O)c3	139
+c1cc(ccc1COc2ccc3c(c2)c4CCC(c4[nH]3)CC(OCC)=O)-c5csnn5	22
+c1cc(ccc1COc2ccc3c(c2)c4CCC(c4[nH]3)CC(OCC)=O)-c5nccnc5	6945
+C1CC(CN)Cc2[nH]c3c(c12)c(ccc3C(=O)N)Br	6946
+C1c2c3c([nH]c2C(CC(OCC)=O)C1)ccc(O)c3	5
+c1cc(ccc1C(C)C)SCc2cc3CCN(CCc3cc2)CCC	2722
+CC(C)CN(CC(OC)=O)C(CNC(=O)C1COc2ccc(cc2C1)OC)=O	207
+C1c2cc(CCl)ccc2CCN(CCC)C1	438
+C1c2ccc(c3c2c(ccc3)C1)N4CCNC(C)C4	79
+C1c2ccc(N3CC(C)N(CCC4c5c(CCO4)cc(cc5)C(=O)N)CC3)c6c2c(ccc6)C1	123
+c12c(nc(C=Cc3cc4C(=O)c5c(COc4cc3)cccc5)cc1)cc(Cl)c(F)c2	3990
+c1cccc2CC(Cc12)(NC(=O)c3ccc(c(OCCc4cc(C)ccc4)c3)Br)C(=O)OC	259
+c1cccc2CC(Cc12)(C(=O)OC)NC(=O)c3cc(Br)c(c(c3)F)OC	259
+c1c2CC3(N(C)C(=O)NC3=O)Cc2cc([N+]([O-])=O)c1	77
+C1CCN(C1)C2Cc3c(C2)cc(cc3)[N+](=O)[O-]	31
+c1ccccc1N(CCCC2CCCCN2Cc3ccccc3)C4Cc5c(cccc5)C4	79
+c1c2c(ccc1)CC(C2)Nc3c4nc[nH]c4nc(-n5nc(C)cc5C)n3	2723
+C1c2ccccc2CC1Nc3c4nc[nH]c4nc(NN)n3	1657
+CC(C)(C)OC(Nc1cc(N2CCc3c(cnc4ccnn34)C2)ccc1)=O	79
+CC(C)(C)OC(=O)N1Cc2c(cc(cn2)Br)C1	23
+c1(CN2Cc3c(C2)nccc3)nn4c(c5c(nc4N)c(ccc5)COC)n1	894
+CC(C)(C)OC(=O)Nc1cc2c(CCC2)s1	2724
+C1c2sc(C(=O)O)cc2CC1	1
+c1(c2C(C)NCCc2sc1)C	6947
+CC(C)(C)OC(=O)N1Cc2cc3cc(ccc3n2CC1)OC	23
+C1n2c3ccc(cc3nc2CNC1)C(=O)OCC	47
+C(C)OC(=O)c1cc2nc3n(c2cc1)CCN(C)C3	113
+n1c(c(Br)cc(Br)c1)C#N	6948
+O=C1C(C(=O)C)=C(C=C2C1(c3c(cc(c(C(=O)NCc4c5c(cccc5)ccc4CC)c3O2)OC)O)C)O	3991
+c12c(OC=3C1(C(=O)C(C(C)=O)=C(C=3)O)C)c(c(cc2O)OC)C(=O)NCc4c5ccccc5c(OCC#CC)cc4C	3991
+O=C1N(C(C)=C(N)C(=O)N1C)CCCC	3244
+C=1(C(=O)NC(C=1c2cc(N)ccc2)=O)c3c4ccccc4n(C)c3	0
+c1cc(ccc1NC(=O)C=2CCCC=2c3cccc(C#N)c3)N4C(=O)CCCC4	6949
+CC(C)(C)C(C)NC1=C(C(=O)C1=O)Nc2c(cc(cc2)C#N)CC	993
+c1c(I)cc(c(c1)NC=2C(=C3CCCN3C(C=2Cl)=O)C(=O)O)F	6950
+c1c(I)cc(c(c1)NC=2C(=C3CCCN3C(=O)C=2F)C(=O)O)F	6951
+C=1(C(C(=O)O)=C2N(CCC2)C(C=1F)=O)Cl	127
+c1c(C=CC(=O)C2=C(O)C=C(C)N(C2=O)C)cccc1NC(=O)OCCOC	3556
+FC=1C=CC2=NC(=C(C(N2C=1)=O)Br)C=O	3605
+C1(N(C(=O)C(=CN1COC)[N+]([O-])=O)CC(OCC)=O)=O	3560
+CC(C)(C)[Si](C)(C)OC1CC(=O)C(CC=C)=C1C	947
+n1c(C)ccc(Br)c1C#N	6952
+n1c(C)ccc(Cl)c1C#N	6953
+c12C=C(C(O)=O)CCN(c1ccc(c2)-c3cc(c(cc3)OCC)F)C=O	127
+C1(=C(CCC1)CCl)c2c(cccc2)F	6954
+c1cc(ccc1Cc2ccc(cc2)N=C3NCCN3)CS(=O)(=O)NCc4ccccc4	6955
+S=C1N(c2[nH]cnc2C(=O)N1)c3cc(CC)ccc3	2725
+N1(C(=O)N(C(=CC1=O)C)CCCC)C	2726
+C=1(N(Cc2cc(ccc2)OC)C(C(=C(O)C=1)I)=O)C	6956
+C=1(N(C(C(=C(O)C=1)Cl)=O)Cc2cc(ccc2)OC)C	6957
+C=1(NC(N(C(=O)C=1)C)=O)N	2726
+C1(C(=C(N)NC(=O)N1)N=O)=O	863
+n1c(O)cc(nc1SC)N	6958
+CCC(C=1N=C2C=CC=C(C)N2C(C=1I)=O)Br	6959
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCN(CC3)CCC4=C(N=C5N(C(=CS5)C)C4=O)C	2000
+NC1=C(N=O)C(N(C(=O)N1)C)=O	1882
+c12n(ccn1)c(Cl)nc(-c3cc(Cl)ncc3)c2	3992
+c1cc(ccc1N2C(=Nc3ccccc3C2=O)CC)F	2103
+c1c2N=C(N(C(=O)c2ccc1)c3c(OCC)cccc3)CC	2103
+C=12C(CC(CC=1NC(=C(C#N)C2c3cc(Br)c(OCc4cccc([N+]([O-])=O)c4)c(N)c3)C)CCC)=O	22
+O=S(=O)(C)Nc1c(c(Br)cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)c1)OCc4cccc([N+]([O-])=O)c4	80
+C=12C(CC(CC=1NC(=C(C#N)C2c3cc(Br)c(O)c(N)c3)C)CCC)=O	0
+c1(ccnc(O)c1C)SC	6960
+O=S(=O)(c1nc2c(cn1)C=CC(=O)N2Cc3c(cccc3)Br)C	528
+c1c(c(C(=O)OC)sc1-n2cnc3ccccc23)O	6961
+C=1C(Oc2c(ccc(c2)CCCCO)C=1)=O	213
+FC(F)(F)S(=O)(=O)Oc1cc2OC(=O)C=Cc2cc1	166
+c1cccc2[nH]cc(C=3CCN(CC=3)CCC=4C(N5C(=NC=4C)C(=CC=C5)C)=O)c12	6962
+C=1C=C(CCO)C(N(c2ccc([N+]([O-])=O)cc2OC)C=1)=O	6963
+c1cc(ccc1)[Si](c2ccccc2)(OCCC=3C(=O)N(c4ccc(cc4OC)[N+](=O)[O-])C=CC=3)C(C)(C)C	328
+[n+]1(c(cccc1)-c2nc(ccc2C)COC(C)=O)[O-]	6964
+C(C)C(CC)(C)C=1CC=CC=1	6965
+C1CCCC1c2c(cncc2)Br	191
+C=1CN(c2c(cccc2CS(=O)c3[nH]c4c(n3)cccc4)C=1C)C	172
+c1(OCCN2CC=C(c3c[nH]c4ncccc34)CC2)c5c(nccc5)ccc1	2480
+C1CN(C)CC=C1c2cnc(cc2)[N+]([O-])=O	1960
+CCC(c1ccc2c(C3C(C(OCC)=O)C3CO2)c1O)=O	6966
+C=1COc2cccc(c2C=1)C(=O)O	1
+c1(cccc2OCCCc12)C(=O)O	374
+C=1N(C(C(C(=O)O)=CC=1)=O)C	127
+c1ccccc1COc2ccc(cc2)C3=CC=CN(C)C3=O	3993
+c1cc(ccc1C(C)N2CCC(c3ccccc3)(CCc4nnc(C)o4)OC2=O)C5=CC(=O)N(C)C=C5	3994
+c1cc(ccc1C(C)N2CCC(OC2=O)(C(C)C)CCCO)C3=CC(=O)N(C)C=C3	3994
+C1=C(C(=O)OCC)C(=O)c2cc(c(F)c(F)c2N1C(C)CCl)F	221
+C=1N(C(c2c(cccc2)N=1)=O)c3c(c(ccc3)-c4cnc(c5[nH]c6c(ccc(OCC(C)O)c6)c45)C(N)=O)C	684
+C=1N(C(c2c(cccc2)N=1)=O)c3c(c(ccc3)-c4cnc(c5[nH]c6c(ccc(OCC=O)c6)c45)C(N)=O)C	24
+C=1N(C(c2c(cccc2)N=1)=O)c3c(c(ccc3)-c4cnc(c5[nH]c6c(ccc(OCCO)c6)c45)C(N)=O)C	88
+Nc1cccc2C(OC=Cc12)=O	0
+c1cnc(c2c1c([N+]([O-])=O)ccc2)O	6967
+C=1c2c(c(cc(I)c2)C(=O)O)OC(C=1)C	1
+c1c2c(c[nH]c2ccc1)CC(CO)NC(=O)c3cc(I)cc4c3OC(C=C4)C	14
+CN1c2c(C=C(C(=O)O)C1=O)cccc2	108
+CC1(C)CCOc2cc(ccc12)NC(=O)C	3995
+N1(C(=O)N(CC(=C)C)C(N)=CC1=O)C	3996
+Cc1c(C)c(c(CC(=C)C)c(C)c1)O	1625
+C(C1(C)CO1)Oc2cc(ccc2[N+]([O-])=O)F	2727
+CC1(C)Cc2c(ccc(c2O1)[N+]([O-])=O)Cl	1658
+c1cc(ccc1CN2C(CC(OC)=O)c3ccccc3C(=C)C2)C(=O)Nc4ccccc4N	6968
+CC(C)(C)OC(=O)N1CCC2(CC1)C=CC(=O)CC2	6969
+CC1(C)C=Cc2c(cc3c(nccc3C)c2)O1	3997
+COc1cc2CC(CCC(=O)C)(C(=O)c2cc1)C	2104
+C(C(c1cc(Cl)ccc1OCc2cccc(F)c2F)=O)CC(=O)C	2728
+Nc1cc2CC(CCC(=O)C)(C(c2cc1F)=O)CCCC	2104
+n1c(C2(C=CC(=O)CC2)C)c(Cl)ccc1	6970
+C(C(c1cc(c(SC)cc1)F)=O)CC(=O)C	2728
+c12c(c(c(cc1)OC)C)CC(CCC(=O)C)(C2=O)CCCC	2104
+c1c(cc(cc1)Cl)C2(c3cccc(Cl)c3)CCC(=O)C=C2	3808
+c1cc(ccc1Oc2cccc(c2)C(CCC(C)=O)=O)F	2728
+n1ccc(C)c2cc(C#N)ccc12	3997
+CC(C)(C)OC(=O)N1CCC(CC1)N(Cc2ccccc2)C(=O)C=C	404
+CC(C)(C)OC(Nc1nc(N2CCCC(NC(=O)C=C)C2)ccc1)=O	711
+C(C(N(C)Cc1c2ccccc2n(C)c1)=O)=C	404
+C(Nc1c(Cl)cc(c(OC)c1)C=O)(C=C)=O	1313
+C(Nc1cc([N+]([O-])=O)ccc1)(C=C)=O	1313
+c1cc(ccc1OCCCCOC(C=C)=O)C(O)=O	2466
+c1cc(ccc1NC(=O)C=C)Sc2nc(ncc2)Cl	1313
+CC(C)(C)OC(N1CCC2(Oc3c(C(C2)=O)cc(cc3)C=CC(=O)OC)CCC1)=O	233
+CC(C)(C)OC(N1CCC2(CC1)Oc3ccc(C=CC(=O)OC)cc3C(C2)=O)=O	233
+CC1(C)C(Cc2c(ccc(F)c2)O1)CCNCCC(=O)OC	1340
+c1(C=CC(=O)OC)ccc2nn(C)c(C)c2c1C(=O)OC	233
+c12c(C(=O)N(C1=O)c3c(cc(Cl)c(CC(C(OC)=O)Cl)c3)F)cccc2	1659
+c1c(F)c(c(cc1C=CC(=O)OC)F)C=O	233
+Nc1c(ccc(F)c1)C=CC(OC)=O	233
+C(C=Cc1ccc(N)cc1C)(OC)=O	233
+O=S(=O)(c1ccc(cc1)C=CC(=O)OC)N(Cc2ccc(cc2)OC)C	233
+C(C=Cc1cc(CO)ccc1)(OC)=O	3998
+c1c(c(c(c(NC(C)=O)c1)[N+](=O)[O-])C(=O)OC)C=CC(=O)OC	233
+c1cc(ccc1C(CC(=O)OC)C(CCC(OC)=O)[N+](=O)[O-])Cl	6971
+c1cc(ccc1C=CC(C(CCC(OC)=O)(c2ccccc2)CC=Cc3ccccc3C)=O)Cl	6972
+c1cc(ccc1CCNCCC(=O)OC)OC	1340
+c1ncncc1C=CC(=O)OC	6973
+C1(Nc2cccc(c2OC1)C(C)C=C)=O	2729
+C1(O)c2c(OC1CO)c(Cl)cc(c2)Br	2730
+FC(F)(F)c1cc(N2C(=C(C(=O)OCC=C)C(NC2=O)c3ccc(C#N)cc3S(=O)(=O)C(C)C)C)ccc1	3498
+O(CC=C)P(OCC=C)(OCc1c(cccc1C(=O)O)Cl)=O	6974
+C(Nc1sc(nn1)CC=C)(N(CCC=O)CCl)=O	1110
+n1(c2c(N(CCCC)C(NC2=O)=O)nc1Cl)CC=C	1950
+C=CCn1cnc2c1C(=O)N(C(=O)N2CCCCC)C	6975
+c12n(c(nc1N(C(=O)N(C2=O)C)CCCCC)C=O)CC=C	1378
+O=S1(=O)CCN(CC1)c2c(cccc2F)F	6976
+CC(C)(C)OC(=O)N1CC(C1)Oc2c3cc[nH]c3c(cc2)Br	1654
+CC(C)(C)OC(NC(C(=O)C=C)CC1CCCC1)=O	1152
+CC(C)(C)[Si](C)(C)Oc1cc2c(c(Br)c1)[nH]cc2	1660
+Clc1ccc(Br)c2[nH]ccc12	1660
+Clc1ccc2c(nc(C=Cc3cc(C(C=C)O)ccc3)cc2)c1	1184
+c1cccc(c1C(O)C=C)SCC#C	1184
+C=CC(c1cc(cc(Cl)c1O)Br)O	1184
+O=S(=O)(N(C)c1cccc2c1[nH]c(c2)C=3SC(CC(=O)C=C)CN=3)c4cccs4	1152
+c1c(c2[nH]ccc2cc1)CSCC	1654
+Clc1nccc2cc[nH]c12	6977
+c1cc(Br)c(F)c2[nH]ccc12	1654
+c12c(F)ccc(C)c1cc[nH]2	1660
+c1(ncc(Br)c2[nH]ccc12)Br	6978
+c1cc(ccc1OC)COc2c(Br)cc(cc2Br)C(C=C)O	1184
+c1c(F)c(F)cc2c1nc(C=Cc3cccc(C(C=C)O)c3)cc2	1184
+c1(ccc(c2[nH]ccc12)CC)Br	1660
+c1c(c2[nH]ccc2cc1F)CSC	1660
+c1cc(ccc1)C(O)(CCCl)C=C	6979
+c1cc(ccc1-c2oc3c(cc(c(c3)N(c4cc(Cl)c(C(C=C)O)cc4)S(=O)(=O)C)C5CC5)c2C(NC)=O)F	1184
+c1cc(ccc1CC=2C(N(c3n(ncn3)C=2CCC)C4CCC(CC4)OCC(C=C)=O)=O)-c5ccccc5C#N	1152
+c1cc(ccc1Sc2c(C(O)C=C)c(F)ccc2)F	1184
+c1ccccc1COc2c(F)cc(Br)c3[nH]ccc23	1654
+Clc1cccc(c1)C(O)C=C	6980
+c1c2nc(OC)c(nc2c(c(c1Cl)Cl)C=O)OC	6981
+C(NC)(=O)c1[nH]c2c(c1CC)cccc2	1661
+c1cc(ccc1Nc2nc(Cl)nc3n(C=C)cnc23)P(C)(C)=O	1185
+FC(F)(F)c1cccc(C(Nc2cc(C=Cn3cnc4c(NC)ncnc34)c(cc2)C)=O)c1	914
+C=Cn1c2c(c(NC)ncn2)nc1	516
+CC(C)(C)OC(C1C(N(C)CC2(CC2)C1)C(Nc3ccc(cc3)OCc4c5c(nc(c4)C)cccc5)=O)=O	1662
+CC(C)(C)OC(N(C(C)C)CCc1ccc(C=O)c(c1)O)=O	491
+CC(C)(C)OC(N1CC(C(O)=O)N(CC1)C)=O	3999
+CC(C)(C)OC(N1CCC(CC1)N(C)CCc2ccc(cc2)Oc3ccccc3)=O	113
+CC(C)(C)OC(=O)N1CCC(CC1)N(C)Cc2ccc(nc2)-c3ccc(cc3)S(=O)(=O)C	113
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3cc(C=O)ccc3ncc2	6982
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(O)c(cc3C(COc23)=O)Cl	1092
+CC(C)(C)OC(N1CCc2c1ccc(C(=O)OC)c2)=O	807
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC	1159
+CC(C)(C)OC(Nc1cc(NC)ccc1)=O	1159
+CC(C)(C)OC(=O)Nc1c2c(ncn1)n(-c3cccc(c3)NC)c(c2-c4ccc(cc4)Cl)Cl	1159
+CC(C)(C)OC(=O)N(C1CCC(CC1)C#CCO)C	6983
+CC(C)(C)OC(=O)N1CC(C1)N(C)C(C)(C)C(=O)N	1662
+CC(C)(C)OC(N1CCC(C(N(C)C)C1)NC(OCc2ccccc2)=O)=O	1001
+CC(C)(C)OC(=O)N1C2C(CN(C2)C)CC1	113
+CC(C)(C)OC(N1CCN(CC1)C(=O)C2N(C)CCCC2)=O	1662
+CC(C)(C)OC(N1CCc2c(CC1)c(Cl)c3N(C)CCCc3c2)=O	1353
+CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C2CCC(CC2)N(C)Cc3ccccc3)C)=O	113
+CC(C)(C)OC(NC(C)(C)Cc1cccc(C(=O)OC)c1)=O	807
+CC(C)(C)OC(NC1CCN(C)CC1OC)=O	113
+CC(C)(C)OC(=O)NCC(C1CC1)NC	1971
+CC(C)(C)OC(NCc1c(-c2ccccc2)c3cc(C(=O)OC)ccc3nc1CC(C)C)=O	807
+CC(C)(C)OC(Nc1c(cccc1F)NC)=O	1159
+CC(C)(C)OC(Nc1c2c(ncn1)n(-c3ccc(cc3)NC)nc2I)=O	1159
+CC(C)(C)[Si](C)(C)OCCOc1ccc2c(nc(cn2)-c3ccc(cc3)NC)c1	1159
+CC(C)(C)[Si](C)(C)OCCc1ccc(C=O)c(c1)O	491
+CC(C)(C)c1ccc(C(=O)OC)c(c1)Cl	4000
+CC(C)(C)c1cc(cc(C=O)c1O)CCl	915
+CC(C)(C)c1cccc(c1O)C=O	491
+CC(C)(C)n1c(NC(C(C)NC(OCc2ccccc2)=O)=O)cc(n1)C3(CCN(CC3)C)c4ccccc4	113
+CC(C)(O)C(=O)Nc1cccc2CC(N(C)C)CCc12	1001
+c1ccccc1COC(=O)NC2CCN(C2=O)C3C(CCC)CC(CC3)N(C)C(C)C	2731
+c1ccccc1COC(=O)NC2C(=O)N(CC2)C3C(CS(=O)(=O)C(C)C)CC(CC3)N(C(C)C)C	2731
+c1ccccc1COC(NC2C(=O)N(CC2)C3CCC(N(C(C)C)C)CC3C(CC)O)=O	2731
+CC(C)C1CC(C(C(C=O)=C)C)CCC1	2105
+CC(C)C(=C)C(c1cc2cc(C(=O)O)oc2c(C)c1C)=O	2105
+CC(C)c1cc2c(OCO2)cc1CCl	915
+CC(NCCc1c(CCl)cc2OCOc2c1)=O	915
+CC1(C)CN(C)C(C(O)=O)C1	3999
+CC1(C)CN(CCO)C(C(C)(C)N1C)=O	1662
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N(C)C3CCOCC3	1353
+C1(=O)N(CC)NCN1c2sc(C)nn2	2640
+FC(F)Oc1cnc(C(=O)OCC)cc1	6984
+c1(C)nc2c(NCc3c(C)cccc3CC)cc(cc2n1C)C(=O)OCC	6985
+CN(C)C1C(CN(CC1)C(=O)OCC)C	1001
+CN(C)CCNC(=O)c1c2nc3c(ccc4c(c(ccc34)O)CN(C)C)nc2ccc1	1092
+Clc1cc(cc(Cl)c1N2NC(=C3C(=O)N=C(N=C23)Cc4cc(c(cc4)CN(C)C)O)C(C)C)Cl	1092
+CN(C)Cc1c(nc2c(OCc3c(Cl)cccc3)cccn12)C	2093
+O=S(=O)(c1ccc(s1)S(=O)(=O)CCCc2cc(c(O)cc2)CN(C)C)N	1092
+CN(C)Cc1c[nH]c2c(cccc12)[N+](=O)[O-]	1015
+CN(C)CCC(c1sc(Cl)c(c1)[N+]([O-])=O)=O	1493
+CN(C)Cc1c2c(cnc(Cl)c2[nH]c1)Br	1015
+CN(C)Cc1c[nH]c2cc(ccc12)[N+](=O)[O-]	1015
+CN(C)CCC(=O)c1c2ccccc2[nH]c1-c3c(CC)noc3C	1493
+CN(C)CCC(c1cc(OC)c(OC)cc1)=O	6986
+CN(C)CCC(c1c2ccccc2n(C)c1-c3ccccc3)=O	1493
+c1cc(ccc1)C(=O)c2cc(C(=O)N3CCc4oc(cc4C3)CN(C)C)ccc2	6987
+c1cc(ccc1CC(NCC(O)c2cccc(Cl)c2)C)OCC3=CC(C(O)=C(O3)CN(C)C)=O	6988
+CN(C)CCC1CCCN(C(c2cnc(cc2)NC(c3ccccc3Cl)=O)=O)c4ccc(Cl)cc14	1001
+C1CC(CCC1)N(C2Cc3c(ccc(F)c3OC2)C(OC)=O)CCC	4000
+FC(F)(F)c1cc(ccc1)N2C(=O)N(C)C(c3ccc(C#N)cc3C(OC)=O)C(C(=O)OCC)=C2C	807
+FC(F)(F)c1cc(ccn1)N2C3=C(C(CC3)=O)C(N(C2=O)C)c4ccc(C#N)cc4C(=O)OC	807
+FC(F)(F)c1cccc(N2C(N(C)C(C=3C(NCCC2=3)=O)c4ccc(C#N)cc4C(=O)OC)=O)c1	807
+N#Cc1c(Cl)cc(cc1)-c2c(n(Cc3ccc(C(OC)=O)nc3)nc2C)C	6989
+Nc1cc(-c2ocnc2)nc(C(=O)OC)c1Cl	6990
+c1(cc(C(=O)OC)c(c(c1)F)C)-c2cc(F)ccc2	807
+CN(C)C1Cc2c(OC)cccc2CC1	1001
+CN(C)c1cc(Nc2ncnc3c2scc3)cc(OC)c1	6991
+c12cc(ccc1cncc2)C(=O)OC	807
+c1cc(ccc1C2(SC(=NC(c3ccc(cc3)F)C)NC2=O)C)C(OC)=O	807
+c1cc(ccc1Cl)CC2C(=O)N(CC3N(CC(N(C)C)C(=O)N23)S(=O)(=O)c4c(Cl)cc(cc4)Cl)C(C)C	6992
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CN(C)C	1001
+c1c(c(c(O)c(c1)C=O)F)OC	491
+C[Si](C)(C)CCOCn1c2c(c3c1cnc(C#N)c3)c(OCC4CCCCN4C)ccn2	113
+O=Cc1c(c(ccc1C)Br)O	491
+ClCc1cc(c(F)cc1OC)F	915
+c1cccc2nn(nc12)-c3c(O)c(cc(C)c3)CCl	915
+c1ccccc1Cc2c3ccccc3ccc2CCl	915
+c1(C=O)ccc(c(c1)CCl)O	915
+C(c1ccc(c(CCl)c1)O)C(=O)O	915
+c1c2c(cc(CCl)c1)CCC2	915
+ClC(Cl)(F)Sc1c2ccccc2n(CO)c1	6993
+O=S(=O)(c1c(Cl)cc(NCc2occc2)c(C(OCCCOC(=O)CCC(OCCl)=O)=O)c1)N	6994
+Clc1ccc(c(c1)O)C2(CO)C(=O)N(c3ccccc23)CC(=O)OC	2732
+Clc1ccc(CCO)c([N+]([O-])=O)c1	4001
+FC(F)(F)C(O)C1=CC(=O)C(O)=C(N1C)CO	6995
+FC(F)(F)C(=O)N1CCc2c(Br)cccc2C1	6996
+FC(F)(F)C(=O)Nc1ccc(cc1Cl)N(Cc2ccc(Cl)s2)C	1353
+FC(F)(F)C1c2cccc3CNCC(N(c23)CC1)C	1603
+FC(F)(F)c1ccccc1CCC2CN(CCN2C)C3=Nc4ccccc4Nc5sc(C)cc35	113
+FC(F)(F)c1cc(ccc1)N2CCN(CC2)Cc3cc(-c4ccc(cc4)Cl)n(-c5ccc(cc5)Cl)c3C	1015
+FC(F)(F)c1c(CN(C2CCN(CC2)c3c4c(c(-c5ccnn5C)nn3)cccc4)C)ccc(F)c1	113
+FC(F)(F)c1ccc(cc1)-c2n(C)c(c(CO)n2)C	4002
+FC(F)(F)c1ccc(cc1)CCC2N(CCN(C2)C3=Nc4ccccc4Nc5sc(C)cc35)C	113
+FC(F)(F)c1ccc(cc1)CN(C)c2cc(C)c(c(C)c2)NC(CC3CCCC3)=O	1353
+FC(F)(F)c1cc(c(O)cc1)C=O	491
+FC(F)(F)c1cc(c(cc1)O)CO	6997
+FC(F)(F)c1ccc(CN2c3cccc(c3C(C2=O)(c4nc(OC)ccc4O)CO)Br)o1	4003
+FC(F)(F)c1ccccc1-c2nc(O)c3c(ccc(N4C(=O)CN(C4)CCO)c3)c2	6998
+FC(F)(F)c1cnc(nc1CCc2ccc(F)cc2CC(=O)N)Nc3ccc(cc3)C4CCN(CC4)C	113
+FC(F)(F)c1c(cn(n1)CO)Br	6999
+FC(F)(F)c1nc(NC(Nc2c3cc(ccc3ncc2)C=4CCN(CC=4)C)=O)ccc1	1960
+FC(F)(F)c1oc(CN2C(C(c3ccccc23)(CO)c4nc5OCOc5cc4O)=O)cc1	4003
+FC(F)Cn1c(CO)ncn1	7000
+FC1(F)C(C2CCN3CCNCc4c3c2ccc4)C1	1603
+Fc1cc2c(Nc3c(C(N4CC(CCOC)N(CC4)C)=N2)ccs3)cc1F	113
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4ccc(cc4)N(C)C)O	1186
+c1cc(ccc1-c2cc3c(cc(OCCOCCOCCF)cc3)cc2)N(C)C	1186
+CN(C)c1ccc(cc1)C=2Oc3c(C(=O)C=2)cc(cc3)OC	1186
+CN(C)c1ccc(cc1)C=2Oc3c(cc(cc3)Br)C(=O)C=2	1186
+c1cc(ccc1C=Cc2ccc(nc2)OCCOCCOCCO)N(C)C	1186
+c1cc(ccc1-c2cc3c(cc(cc3)N(C)C)cc2)OCCOCCOCCF	1186
+C1CN(CCC1N2c3c(C=CC2=O)ccc(c3)N(C)C)Cc4ccccc4	1186
+CN(C)c1cccc(OC(C(OC)=O)C)c1C	7001
+CN(C)c1c(C)cccc1Br	2106
+c1cc(ccc1)C(c2c(N(C)C)c(CC(=O)OC)ccc2)=O	2106
+c1cc(ccc1)COc2cc3CCC4C(CCC5(C)C(CCC45)=O)c3cc2N(C)C	2106
+c1ccccc1COc2c(c3CCC4C5CCC(C5(CCC4c3cc2)C)=O)N(C)C	2106
+C(N(C)C1c2c(CCC1)cccn2)c3nc4cccc(F)n4c3	113
+C1C(F)C(c2c3cc([N+]([O-])=O)ccc3[nH]c2)=CCN1C	1960
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)N3CC(C)N(CC3)C)Br	113
+CN1c2nc3c(cc2C(C(C(=O)O)=C1)=O)cc(c(N4CC(C)N(CC4)C)c3)F	113
+C(=O)c1c(O)cc(OC)cc1OC	491
+C1C(CC(N1C)C(=O)N)O	1662
+c1(c(cc2c(c1)C(=O)C(=CN2CC)C(O)=O)N3CC(N(C)CC3)COCCCCCCCCCCCC)F	113
+O=S(=O)(C(c1cnc(C(NCO)=O)cc1C)c2cc(F)ccc2F)c3ccc(cc3)F	7002
+O=S(=O)(Cc1ccc2c(c1)C3=CN(C(c4[nH]c(C(=O)OCC)c(c34)CN2c5ccc(cc5)Cl)=O)C)C	7003
+O=S(=O)(C)c1nnc(N2C(=O)N(NC2)CCCC)s1	2640
+O=S(=O)(c1ccccc1)NCC=2OC(=C(C(C=2)=O)O)CO	7004
+c1ccccc1N2CC(=O)N(c3cc(Cl)c(S(=O)(=O)N)cc3)C2	2733
+O=S(=O)(c1cc(C)c(cc1)N2CN(c3ccccc3)CC2=O)N	2733
+O=S(=O)(c1cccc2ccccc12)c3n[nH]c4ccc(OC5CCN(C)C5)cc34	113
+O=S(=O)(n1cc2c3c1cccc3CN(C)CC2)c4ccccc4	113
+c1(ccc(CO)nc1Cl)O	7005
+c1c(I)cc(c(c1)C=O)O	491
+c12cc(cc(c1CNCC2)Br)OC	1603
+CN1CC(N(CC1C)c2ccc([N+]([O-])=O)cc2F)C	113
+O=C(C(=C)CCCl)c1c(Cl)c(Cl)c(OC)cc1	2105
+O=Cc1ccc2CCCc2c1O	491
+c12c(CN(C)C1)c(N3CCOCC3C)nc(Cl)n2	113
+C1CN(CCN1Cc2c3c(Cl)cccc3[nH]c2)C(c4c(cccc4)Cl)c5ccc(cc5)Cl	1015
+C1CN(CC1c2nnc3n2cc(cc3)F)C	113
+O=Cc1c(C)cc(C)cc1O	491
+c1c(c(c2CCN(Cc2c1)C=O)C)OC	7006
+c1cc(CCO)c(cc1F)[N+]([O-])=O	4001
+c1c(cc2n(c3c(CCN(C)C3)c2c1)C)Br	113
+Oc1c(cc(F)cc1)C2(C(N(CCCCC)c3ccccc23)=O)CO	2732
+N1(c2ccc([N+]([O-])=O)cc2OCC1)C	1353
+c1ccccc1-c2cccc(c2O)C=O	491
+c1cc(ccc1)-c2[nH]c3c(c2C4CCN(CC4)C)cccc3	113
+c1cc(ccc1)-c2n3CCCN(Cc3c(C(OCC)=O)n2)C	113
+c1ccccc1C(c2ccccc2)N3c4c(C(CO)(C3=O)c5c(O)cc6c(OCO6)c5)cc(cc4)C	2732
+c1ccccc1C(=C)C(CCCCC)=O	7007
+c1ccccc1CCCN(Cc2cccc(-c3ccc(nc3)C#N)c2)C	113
+c1cc(ccc1)COC(=O)NC2CCCCC2CN(C3CCc4cc(ccc4C3)F)C	113
+c1cc(ccc1)S(=O)(=O)Nc2c3c(cn(c3ncc2)C4CN(C4)C)-c5cc6c(CCN6C)cc5F	113
+c1cc(ccc1C(C#N)(C)CO)Br	4004
+c1cc(ccc1C#CC#CCO)C(=O)NC(C(NC)C)C(NO)=O	1971
+c1cc(ccc1C#N)-c2nnn(Cc3cc(C(=O)Nc4sc5CC(CCc5n4)N(CCOC)C)ccc3)c2	113
+c1cc(ccc1C#N)Sc2cc(C=O)c(O)cc2	491
+CC(C)(c1ccc(O)c(c1)C=O)C(OC)=O	491
+O(C)CC(COC)(C(OC)=O)c1ccc(O)c(C=O)c1	491
+c1cc(ccc1N2CC(N(C)CC2)C)C(OC)=O	113
+c1cc(ccc1C)-c2c(cccc2)C(Nc3ccc(cc3)C(N(c4c(cccc4)CN(C)C)C)=O)=O	113
+c1cc(ccc1C(O)C#CCN2CCC(CC2)(c3ccc(cc3)Cl)O)F	1469
+O=S(=O)(c1ccc(cc1)CN(Cc2ncc[nH]2)Cc3nccn3C)NCCCCN(C)C4CCCCC4	113
+c1cc(ccc1Cl)NS(=O)(=O)c2ccc(OC)c3CC(N(C)C)COc23	113
+c1cc(ccc1Cl)OC=2C=CC(N(N=2)CO)=O	7008
+c1cc(ccc1Cn2c3ccccc3c4C(C(=C)CCc24)=O)C(OC)=O	2105
+c1cc(ccc1F)-c2[nH]c(nc2CO)CCCC	4002
+c1cc(ccc1F)C(C#N)(CO)CCCCC	4004
+O=C(OCC)C(C(=O)OCC)(C)c1ccc(cc1)N2CCN(CC2)C	113
+c1cc(ccc1CC(C(OCC)=O)(C(OCC)=O)C)N2CCN(CC2)C	113
+O=S(=O)(c1cc(Cl)c(N2CN(CC2=O)c3ccc(cc3)Cl)cc1)N	2733
+c1cc(c(C=O)cc1C2CCOC2=O)O	491
+c1cc(ccc1[N+](=O)[O-])N2CCC3C2CCN3C	113
+c1cc(ncc1Br)C(C2CN(CC2)C)=O	113
+N1Cc2ccc(OCC)cc2CC1	1603
+c1cc(ccc1)C(=O)c2cc(Br)ccc2-n3ccnc3CO	7009
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CC(CCOC)N(CC4)C	113
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCNC(CCCCCN(CCNC(=O)OC(C)(C)C)C)=O	113
+c1ccccc1C=2c3c(-n4c(CCO)nnc4CN=2)ccc(F)c3	7010
+c1cc(ccc1)CN(CCCCCCCCCCCC)C	113
+C1CC(CCN1C)c2c(OC)cc(NC(OCc3ccccc3)=O)cc2	113
+CN(C)Cc1cccc(c1)CCNC2=NC(=C(N(C2=O)CC(OCc3ccccc3)=O)C)Cl	7011
+c1ccccc1COC(N2C(CN(CC2)C)C(N(C)OC)=O)=O	113
+c1ccccc1COC(NC2CCN(C3CCC(N(Cc4ccc(cc4)OC)C)CC3NC(C)=O)C2=O)=O	113
+c1ccccc1COC(NC2CCN(C3C(NC(C)=O)CC(CC3)N(C(C)C)C)C2=O)=O	113
+C1CCCN(c2oc3c(C)cc(C)cc3n2)CCN1C	113
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)OC	1187
+CC(C)(C)OC(=O)NC1(C(OC)=O)CCCC1OCc2ccccc2	1187
+CC(C)(C)OC(=O)N1CCC2(CC2)CC1C(=O)OC	7012
+CC1(C)c2cc(cc(C3CC3)c2OC4(CC4)C1)Br	3365
+FC(F)(F)C1CCC(CC1)C(CCl)=O	7013
+c1cc(ccc1)COC(n2c3ccccc3c(CC(CCl)=O)c2)=O	7014
+FC(F)(F)C(C(OC)=O)(C)O	1187
+c12c(cc(cc1cccc2)Br)C(OC)=O	1343
+O=S(=O)(c1c(cc(c(C(OC)=O)c1)OCC)OC)Cl	1343
+Clc1cc(cc(C)c1C(=O)OC)Br	1343
+c1(c(Cl)c(Cl)nc(n1)-c2c(c(OC)c(Cl)cc2)F)C(=O)OC	1343
+c1cc(cc(c1OC)F)C2C(CC(OC)=O)C2	1187
+c1cc(ccc1)COc2cc(F)cc(c2)C(C(=O)OC)(CC)O	1187
+c1cc(ccc1[N+]([O-])=O)CC(C(=O)OC)NC(C)=O	1187
+c1cc(ccc1F)C(=O)c2c(nccc2)C(=O)OC	1343
+O=C1c2c(C(=O)N1C(CC(C=[N+]=[N-])=O)(C(OC)=O)CF)cccc2	7015
+c1ccccc1C(C(=O)OC)C2CCN(CC2)C(OCc3ccccc3)=O	1187
+c1(c2c(NC(=C(C(=O)C)C2c3ccc(cc3CC)C#N)C)ccn1)O	7016
+O=S(=O)(Oc1c(cc(c(-n2c(c(c(C)n2)C)C)c1)F)Cl)C	7017
+c1cc(ccc1Cl)Nc2nc(-n3c(C)c(C)c(n3)C)nc4n(C)cnc24	7018
+FC(F)(F)c1ccc(cc1)Nc2nc(-n3nc(cc3C)C)nc4n(cnc24)C	2723
+c1(nc2c(c(C)c1)C(N(C(=O)N2C)CCCCC(OC(C)=O)C)=O)C	7019
+CC(=O)C(C(C)=O)=Cc1ccc(C#N)cc1CC	7020
+O=S(=O)(C)Oc1c(Cl)cc(F)c(-n2nc(cc2C)C)c1	2734
+S=C1NN2C(=CC(C)=NC2=N1)C	7021
+c1(C)nc2c(ccc(n2)N)c(C)c1	7022
+c1ccccc1-c2c3c(nc(C)c2C(C)=O)sc4c3cccc4	7023
+c1ccccc1-c2sc3nc(c(C(=O)C)c(-c4ccccc4)c3c2)C	4005
+c1cc(ccc1)Nc2c(c3c(cc2C(=O)OC)[nH]c(n3)C)F	7024
+c1cc(ccc1Br)CCC(=O)C	7025
+c1cc(ccc1-n2nc(cc2C)C)Br	2734
+c1cc(ccc1Cl)Nc2c3c(n(cn3)CCOCC)nc(-n4c(cc(n4)C)C)n2	2723
+c1cc(ccc1F)-c2c(C(C)=O)c(C)nc3ccc(Br)cc23	7026
+CC(=O)CCCCCCCC(=O)OC	27
+C(CCC(O)C)CCCCC(OC)=O	100
+CC(=O)N1Cc2ccccc2S(CC1)=O	357
+CC(C)(C)OC(=O)N(C(C)Cc1cc2CCN(C(=O)C)c2c(C#N)c1)CCOc3c(cccc3)OCC	23
+C(CCC(C)NCC)CCC	15
+c1c(cc(c(c1)C(=O)NNC(CNC(C)=O)=O)OC)Br	708
+c1cc(ccc1C=2C=CC(N(N=2)Cc3cc(NC(OCC)=O)ccc3)=O)CNC(CNC(C)=O)=O	9
+c1(C=O)cc2c(occ2CCNC(C)=O)cc1	674
+O=C(c1cc(c(c2c1OCO2)NC(C)=O)Cl)O	1
+c1cc(ccc1OC(C(O)CCc2cnccc2)C)-c3c(C)cc(cc3)NC(=O)C	11
+c1cc(ccc1)C2(NC(N(CC(=O)c3ccc(NC(C)=O)cc3F)C2=O)=O)CCC	7027
+c1(cc(c(O)cc1NC(C)=O)C(=O)O)[N+]([O-])=O	31
+C(C)OC(c1c(ccc(c1)NC(C)=O)Br)=O	47
+c1(NC(C)=O)c(c(c(cc1)Br)C(=O)O)[N+]([O-])=O	31
+c1cc(ccc1C)C(c2c(C)c3c(cc(cc3)NC(C)=O)o2)=O	7028
+c1(cc(NC(C)=O)ccc1OC)C(=O)C	65
+c12c(cc(C(=O)O)cc1)ncn2-c3cc(ccc3)NC(C)=O	7029
+C(SCc1cccc(NC(C)=O)c1)C	639
+C(OC(COc1cccc(NC(C)=O)c1)=O)C	52
+CC(C)(C)OC(=O)NNC(OCCc1ccc(cc1)NC(=O)c2csc(NC(C)=O)n2)=O	2015
+CC(C)(C)C(C)NC=1C(=O)C(=O)C=1N(c2ccc(cc2CC)C#N)C(=O)C	7030
+CC(C)(C)C(=O)Nc1ccc(Cl)cc1C2Cc3c(cccc3)N2C(=O)C	808
+CC(C)(C)CCC(=O)N1CCN(CC1)c2nccc(-c3noc(C)n3)c2	4006
+CC(C)(C)CCNC(Nc1c(F)cc(C)c(-c2c(nc3nc(NC(C)=O)ncc3c2)C)c1)=O	4007
+CC(C)(C)OC(=O)C1N(CCCCC1COC(C)=O)S(=O)(=O)c2ccc(cc2)OC	152
+CC(C)(C)OC(=O)COc1c(C(OC)=O)sc2c1cc(cn2)NC(C)=O	2107
+CC(C)(C)OC(N1CC(N(C2CCC(C)(C)CC2)C(C)=O)CC1C(OC)=O)=O	319
+c1cc(ccc1C)CC2(CO)CN(CCC2)C(=O)C	1663
+CC(C)(C)OC(=O)N1CCC(CC1)CN(Cc2ccc(cc2)Cl)C(C)=O	319
+C1CN(CCN1C(=O)C)c2ccc(nc2)CCc3ccc(cc3)CO	1663
+CC(C)(C)OC(=O)N1Cc2c(CC1)c(C#N)c(NC(C)=O)s2	2735
+CC(C)(C)OC(NC(CC)(COC(C)=O)CCc1ccc(cc1)OCc2ccccc2)=O	152
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2csc(NC(C)=O)n2	1973
+CC(C)(C)OC(=O)N1CCC(CC1)(NC(=O)C)Cc2ccccc2C	206
+c1cc(ccc1[N+]([O-])=O)CC(NC(=O)C)C2CN(C(=O)O2)C3(CC3)c4cccc(c4)C(C)C	1663
+CC(C)(C)OC(=O)NC1(C(OC(=O)C)CCC1)CNc2c(c(c(cc2)C#N)Cl)C	152
+c1(N2CC(CNC(C)=O)OC2=O)ccc(-c3scc(n3)Cn4ccnc4)c(F)c1	1663
+CC(C)(C)OC(NCCC1CCC(CC1)COC(C)=O)=O	152
+C1CC(CCN1C(c2cc3c(cc2)n(cc3)CCNC(=O)C)=O)Oc4ccc(cc4)Cl	1663
+CC(C)(C)OC(=O)Nc1c(COC(=O)C)[n+](c(Cl)cc1)[O-]	983
+CC(C)(C)OC(Nc1cc(Cl)c(c(Cl)c1)OCCOC(=O)C)=O	152
+CC(C)(C)[Si](C)(C)OCC1CC(CC1OC(=O)C)n2ccc3c(ncnc23)NC4c5ccccc5CC4	152
+CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(N)ncnc23)C(C1)OC(C)=O	152
+CC(C)(C)[Si](C)(C)OCCCOc1ccc(Cc2c(C)nc(nc2NC(CCC)CCOC(=O)C)N)c(OC)c1	152
+CC(C)(C)c1cc(cc(C(C)(C)C)c1OC(C)=O)OC	225
+CC(C)(C)c1cc2c(C(=O)N(c3nccc(Cl)c3COC(C)=O)N=C2)c(F)c1	152
+CC(C)(F)Cn1c(nc2cnc3cccnc3c12)COC(C)=O	152
+CC(C)(O)Cn1c(nc2cnc3c(ccc(OCc4ccccc4)c3)c12)COC(C)=O	152
+CC(C)(Cc1c2c([nH]c1)cc(cc2)C)NC(=O)C	206
+CC(C)(O)c1ccc2c(CCN(C2=O)c3cccc(Br)c3COC(=O)C)c1	152
+CC(C)C(NC(=O)C1N(CCCC1)C)C(=O)N(C(C(C)C)CC(OC(=O)C)c2nc(C(O)=O)cs2)CCC	152
+CC(C)CC1(COc2ccc(cc2)[N+](=O)[O-])Oc3c(c(C)c(OC(C)=O)c(C)c3C(=O)C1)C	225
+O1CCOC1c2ccc(cc2)Oc3cc4cnn(c4cc3)C(=O)C	7031
+CC(C)Cn1c(nc2c1c3c(cccc3)nc2N)CNC(C)=O	206
+CC(C)N(c1c(C(=O)OC)sc(-c2ccccc2)c1)C(C3CCC(CC3NC(=O)C)C)=O	7032
+CC(C)N1C(=O)C(CC)(CC)c2cc(NC(C)=O)ccc12	125
+CC(C)Oc1cc(c2c(c(OC(=O)C)[n+]([O-])cc2)c1C)Br	7033
+CC1(C)C(C)(C)OB(O1)c2ccc3c4cnn(C(=O)C)c4ncc3c2	7034
+CC1(C)C(OC(=O)C)CCC2(C1CCC3(C2CCC4C5C(CCC34C)(C(=O)O)CCC5C(C)=C)C)C	152
+CC1(C)CCC(c2c1ccc(c2)Br)(CC(=O)OCC)OC(C)=O	152
+CC1(C)c2ccc(Br)cc2C(=O)CC1	7035
+CC1(C)CN(c2ccc(cc12)Br)C(C)=O	808
+CC1(C)Cc2c(c(OC(C)=O)ccc2)O1	225
+CC1(C)CCCc2cc(C(C)OC(C)=O)c(c(Br)c12)OC	152
+O(C(=O)C)c1c2c(c(C#N)nc1C(=O)OCC)n(cc2)Cc3ccc(F)c(F)c3	4008
+c1ccccc1C(=C2c3cc(C(CCC)=O)ccc3N(C(C)=O)C2=O)OCC	7036
+C(C)OC(=O)c1cnc(s1)NC(C)=O	1973
+c1(NC(=O)C)c(Cl)cc(F)c(OCC)c1Br	125
+CN(C)CC1Cc2c(NC1)cc(cc2)NC(=O)C	125
+C(c1c(C(=O)O)[nH]c2cc(c(OC)cc12)F)CNC(C)=O	206
+COc1cc([N+]([O-])=O)cc(c1NC(C)=O)Br	125
+COc1c(NC(C)=O)c(cc(c1)Br)[N+]([O-])=O	125
+COc1cccc(CCNC(C)=O)c1	206
+Cc1c(ccc([N+]([O-])=O)n1)OC(C)=O	4008
+Cc1cc(cc(C)c1OC)NC(=O)C	125
+Clc1cc(OC(C)=O)ccc1C	225
+Clc1cc(NC(C)=O)cc(C)c1	125
+Clc1cc(F)c(NC(C)=O)cc1	125
+Clc1cc(ccc1)Nc2nccc(-c3cccnc3NCCCNC(C)=O)n2	206
+Clc1cc2CC(=O)N(C(=O)C)c2cc1	1948
+Clc1ccc(OC(C)=O)c(Cc2ccc(C(=O)O)o2)c1	225
+FC(F)(F)C(N(C1c2c(c(ccc2)-n3c4c(ccc(c4)F)nc3C)CC1)c5cc6OCC(CC(OC)=O)c6cc5)=O	7037
+FC(F)(F)Oc1cc2c([NH+]([O-])C(C=C2)=O)cc1	4009
+FC(F)(F)c1cc(cc(COC(=O)C)[n+]1[O-])CC	983
+FC(F)(F)c1[n+]([O-])c(c(CN2C(=O)N3C(C(c4ccncc4)=C(c5ccc(cc5)Cl)C=C3)=N2)cc1)COC(C)=O	983
+FC(F)(F)c1c(O)cc2c(N(CC2)C(C)=O)c1	808
+FC(F)(F)c1c(F)c(F)c(c(F)c1F)-n2nccc2NC(C)=O	533
+FC(F)(F)c1cc(ccc1NC(=O)C)Cl	125
+FC(F)(F)c1cc2ncn(-c3ccccc3)c2c(-c4cc(ccc4)NC(C)=O)c1	125
+FC(F)(F)c1cc(F)ccc1NC(=O)C	125
+FC(F)(F)c1cc(ccc1)N2C(=C(c3noc(C)n3)C=C(C(=O)NCc4ccc(cc4)S(=O)(=O)C)C2=O)C	7038
+FC(F)(F)c1cc(c(c(Cl)c1)-n2c(NC(=O)C)ccn2)F	533
+FC(F)(F)c1cc(NC(=O)C)cc(Br)c1	125
+FC(F)(F)c1ccc(cc1)C2C=CC=[N+]([O-])C2=O	4010
+FC(F)(F)c1ccc(cc1)CCNC(C)=O	206
+FC(F)(F)c1cn2c(cc1)c(C(=O)C)c(-c3ccc(cc3)F)n2	2108
+FC(F)(F)c1cccc(c1C)Cc2c3nc(cc(NC(C)=O)n3nc2C)N4CCOCC4	533
+FC(F)(F)c1cccc2c1nc(C(CC)NC(C)=O)c(C(Nc3nccs3)=O)c2O	206
+FC(F)(F)c1cnc(Nc2cn(nc2)C3CCN(CC3)C(C)=O)nc1CCc4c(C(C(=O)N)C)cccc4	319
+c1(-c2noc(n2)C)cc(C(=O)O)ccc1	4006
+N(C)C(COc1cc(C#N)ccc1CNC(=O)c2cc(NC(C)=O)c(c(Cl)c2)F)=O	125
+c1(C)c(cc(cc1)F)NC(C)=O	125
+c12c(ncnc1cc(c([N+]([O-])=O)c2)NC(C)=O)O	125
+CC(Nc1cccc2c1cc(cc2)O)=O	125
+CC(=O)Nc1cc(O)c(cc1)C(=O)O	125
+[N+](c1cc(cc(Br)c1)NC(C)=O)([O-])=O	125
+c1c(NC(C)=O)ccc(C)c1Cl	125
+c1(c(CC)c(ccc1NC(C)=O)Br)C	125
+CC(Nc1cccc(c1C)F)=O	125
+[nH]1nc(cc1)NC(=O)C	533
+Brc1ccnc(NC(=O)C)c1	533
+O(C)c1c(c(c(OC)c(OC)c1OC)C)Cc2cccc(c2OC(C)=O)C(=O)O	225
+c1cc2ccc(OCOC)c(C#N)c2nc1COC(=O)C	152
+O1CCOC1(CCOc2c(C)c([n+](cc2)[O-])COC(C)=O)CCC	983
+O1CCc2c3n(ncc3CCNC(=O)C)ccc12	206
+Clc1cccc(CCC(=O)C(C(OCC)=O)NC(C)=O)c1	7039
+O=C(c1ccc(c(Cl)c1)Cl)NC2c3c(CCC2OC(=O)C)ccc([N+]([O-])=O)c3	152
+O=Cc1c(OC(=O)C)cc2CCC3C4CCC(=O)C4(CCC3c2c1)C	225
+O=S(=O)(c1nc2CCN(C(C)=O)Cc2c(n1)-c3c(Cl)cc(Cl)cc3)C	319
+O=S(=O)(c1c(C(=O)OC)cccc1)NC(=O)Nc2nc(C)cc(COC(C)=O)n2	152
+O=S(=O)(c1ccc(cc1)C)n2cc(C(C)=O)cc2	7040
+C1(CCCC(=O)Nc2c1cccc2)OC(=O)C	152
+c1(c2c(cccc2)c(N)cc1[N+](=O)[O-])CCOC(=O)C	152
+Oc1c2c(nc(-c3cc(ccc3)OC(=O)C)n1)cccc2	225
+C(=O)(C)Sc1c(cccc1C)C(=O)O	7041
+n1(ccnc1)-c2cc([N+]([O-])=O)c(NC(C)=O)c(C)c2	4011
+CC(Nc1c(ccc2CCCCc12)[N+]([O-])=O)=O	4011
+COc1ccc(COC(C)=O)[n+](c1)[O-]	983
+c1(-c2nc3c(c(n2)O)cc(OC(C)=O)c(OC)c3)cc([N+]([O-])=O)ccc1	225
+c1(OC(C)=O)cc(C)cc(c1C)C(=O)O	225
+c1(I)c(F)cc(NC(C)=O)c(C)c1	125
+c1(C)c(NNC(=O)C)ncc(c1)[N+](=O)[O-]	7042
+c1(C)c(F)ccc(NC(C)=O)c1	125
+c1(C)cc(NC(=O)C)ncc1[N+](=O)[O-]	533
+Cc1cc(cc(C)c1)NC(=O)C	125
+Cc1cc(cc(C)c1-n2c(NC(=O)C)c(C#N)c(C)c2)C	533
+c1(CCNC(=O)C)cc(C)cs1	206
+C(C)(c1cc2c(c(c(Cl)c(OC)c2)Cl)s1)=O	7043
+c1(Cl)cncc(Cl)c1CSc2nc(cc(C)n2)NC(C)=O	533
+c1(F)cc(cc(F)c1-c2cnccc2)N3C(OC(CNC(=O)C)C3)=O	206
+c1ccc(NC(=O)C)cc1-c2ccnc(n2)NCCc3ccc(c(OC)c3)OC	125
+s1c2c(nc1C=CC=Cc3ccc(nc3)NC(=O)C)cc(c(OC)c2)OC	533
+c1c(c(c2cc(C(=O)OC)[nH]c2c1)OC(C)=O)OC	225
+O(C(C)=O)c1cc([N+]([O-])=O)ccc1C	225
+O(C(C)=O)CCc1cccc([N+]([O-])=O)c1	152
+c1([n+](c(ccc1)Cl)[O-])COC(C)=O	983
+O(C)c1cc2CCC(c3c(NC(C)=O)cc(cc3)OC)Cc2cc1	125
+c1(c(F)ccc(c1)NC(C)=O)[N+]([O-])=O	125
+Fc1c(F)cc(c(c1)NC(=O)C)CCCC(=O)O	3406
+CCCOC=1C=C[NH+]([O-])C(C=1C)=O	7044
+C(c1cn(c2ccc([N+]([O-])=O)cc12)C(=O)C)c3c(cc(C(=O)O)cc3)OC	7045
+CCN(c1cc(Cl)c(F)cc1)C(C)=O	808
+c1(cc(F)ccc1Oc2c(ccc3c2C=CC([NH+]3[O-])=O)OC)F	4009
+c1c(C)c(c(cc1OC(=O)C)C)Br	225
+c1(cc(ccc1)Nc2c3c(cc(NC(C)=O)nc3)ncn2)Br	533
+c12c3c(C(N(C(=O)c3cc(C(O)=O)c1)CCCC(O)=O)=O)cc(NC(=O)C)c2	125
+COc1cc2C(N(C3=CC4=CCC([N+]([O-])=C4C=C3)=O)Cc2cc1)=O	7046
+c1(cc(ccc1)NC(C)=O)Br	125
+n1(-c2cc3CC(C#N)Cc3cc2)c(C)nc4cnccc14	4012
+c1(ccsc1CNC(=O)C)C	206
+c1(ccsc1COC(=O)C)C	152
+N(c1ncc2cc(c(OC)cc2n1)Br)C(C)=O	4007
+c1-2[nH]c3ccccc3c1Cc4cc(ccc-24)N(C(=O)C)CC	808
+O(CCN1C(c2c(C=C1)c([N+]([O-])=O)c(Cl)cc2)=O)C(C)=O	152
+c12c(CCC1)cccc2NC(C)=O	125
+CC(N1CCc2c(cccc2Cl)CC1)=O	319
+c12c(-c3c(cccc3)C1)ccc(CCC(OC(=O)C)C)c2	152
+c1cc(ccc1C(NC2Cc3ccc(C(C)=O)cc3C2)=O)F	2109
+c12c(c(F)cc(F)c1OC(c3cc(F)c(cc3)NC(C)=O)=CC2=O)N	125
+c12c(ccc(N)c1OC)CCC2=CCNC(C)=O	7047
+c12c(cccc1)C(=O)N(C2=O)CCCCC(OC(=O)C)c3ccccc3	152
+c12c(CCN(C1)C(=O)C)cccc2Cl	319
+O(c1c(OC)cc2c(c(ncn2)O)c1)C(C)=O	225
+c1[nH]c2c(c1CCNC(C)=O)cc([N+]([O-])=O)cc2	206
+c1[nH]c2c(ccc(C)c2)c1CNC(C)=O	206
+c1c(C)c(c(cc1-c2nc3ccc(cc3c(O)n2)NC(C)=O)C)O	125
+c1c(Cl)c2ccc(cc2c(c1Cl)N)OC(=O)C	225
+c1c(I)cc(Cl)c(NC(C)=O)c1	125
+c1(cc(ccc1)NC(C)=O)-c2nnc(O)cc2	125
+CC(=O)Nc1cccc(c1)-c2sc(nc2C(=O)OC)C	125
+c1cc(cc(OC(C)=O)c1OC)C(=O)O	225
+c1c(OC)cc(cc1NC(NC(CCN2CC(C2)Oc3ccc(cc3)Cl)COC(=O)C)=O)OC	152
+c1c([N+]([O-])=O)cc([N+]([O-])=O)c(Sc2ccccc2NC(C)=O)c1	125
+c1c([N+]([O-])=O)cc(cc1NC(C)=O)[N+]([O-])=O	125
+C(C)OC(c1cc2CCCCC(OC(C)=O)c2[n+]([O-])c1C)=O	4013
+CC(Nc1c(SC)c2ccccc2nc1)=O	2107
+c1(c(c(c2c(OC(c3cc(F)c(cc3)NC(C)=O)=CC2=O)c1F)N)F)C	125
+c1cc(cc(c1OC(C)=O)OC)CC=C	225
+c1c(ccc2c1CC(=O)N2C(=O)C)C(=O)C	1948
+CC(=O)N1CCSc2ccccc2C1	319
+CC(n1c2ccc(cc2c3c1cccc3)Br)=O	4014
+c1c2nc(cc(Cl)c2ccc1OC)COC(C)=O	152
+C1(c2[n+](cccc2CCCC1)[O-])OC(C)=O	4013
+Clc1cc(c(C2=CC=[N+](C(C2)=O)[O-])cc1)OC	7048
+c1cc(ccc1C=2C=C[NH+]([O-])C(=O)C=2)Cl	7049
+O(C=1C=C[NH+]([O-])C(C=1)=O)C	4015
+c1(cccc2CCCCCc12)NC(C)=O	125
+c1(c(OC(C)=O)c(ccc1C=O)OC)Cl	225
+c1cc(cc([N+]([O-])=O)c1OCCCNC(C)=O)F	206
+c1cc(ccc1)-c2c(cc(cc2)-c3nc4cc(c(OC(C)=O)cc4c(O)n3)OC)F	225
+C1=CC(C=CC1)(c2ccccc2)CC(C)N(C(C)=O)CC	319
+c1ccccc1C23CC2CN(C3)C(C)=O	319
+c1cc(ccc1)C=2CCN(C(C)=O)CC=2CO	7050
+c1ccccc1C2CCCCC2OC(=O)C	152
+c1cc(ccc1C(C)=O)CC	2109
+c1ccccc1CC(C)NC(=O)C	206
+c1cc(ccc1)CCC(NC(C(=O)C)CC(=O)OC)=O	7051
+c1cc(ccc1)CN2CC(CCOC(C)=O)OCC2	152
+c1cc(ccc1)CN2CC(N(CC2)C(=O)C)C	319
+c1cc(ccc1)CNC(=O)C(NC(=O)C)COC	4016
+FC(F)OCC(C(=O)NCc1ccccc1)NC(=O)C	4016
+c1cc(ccc1)N2N3CCCC3=C(C2=O)C(=O)Nc4ccc(cn4)Oc5ccnc(NC(=O)C)c5	533
+c1ccccc1N(C(C)=O)c2ccnc3ccccc23	7052
+c1cc(ccc1C(=O)C)OC(C)C(=O)OC	2109
+c1cc(ccc1)S(=O)(=O)N2CCc3cc(C(=O)C)ccc23	2109
+c1cc(ccc1OCCC2CCCCN2C(C)=O)-c3[nH]c4cc(ccc4n3)C(N)=O	319
+c1cc(ccc1C(=O)OC)C2C=CC=[N+]([O-])C2=O	4010
+c1cc(ccc1-c2cc(n(n2)CC(OCC)=O)NC(C)=O)F	533
+c1cc(ccc1-c2c(C(C)=O)c3cccc(Cl)n3n2)F	2108
+c1cc(ccc1Br)C2=C(C)Oc3c(C2=O)cc(c(O)c3)Cl	7053
+c1cc(ccc1Br)CN(c2ccc(cc2)NC(=O)C)n3cnnc3	125
+c1cc(ccc1C#N)-n2c3cc(C)nc(C)c3nc2C	4012
+c1cc(ccc1C(NC(Cc2cc(Br)ccc2)C(C)=O)=O)C	4017
+c1cc(ccc1NC(=O)C)C(C)C	125
+c1cc(ccc1Br)C(C)NC(C)=O	206
+c1cc(ccc1OC)C(=O)NC(C(=O)C)CC=C	4017
+c1cc(ccc1-c2ccccc2NC(C)=O)C	125
+c1cc(ccc1C=2c3c(CC(NN=2)=O)cc4OCOc4c3)NC(C)=O	125
+c1cc(ccc1OC(=O)C)C=C(C)C(O)=O	225
+c1cc(ccc1C=CC(=O)OCC)-c2nc(NC(C)=O)sc2	1973
+c1cc(ccc1OC(=O)C)C=O	225
+c1cc(ccc1C=O)Oc2cc(c(Nc3snc(C4CCN(CC4)C(C)=O)n3)nc2)Sc5ccccc5Cl	319
+c1cc(ccc1CC(C(=O)O)NC(C)=O)[N+]([O-])=O	3466
+c1cc(ccc1CC(C)NC(=O)C)Br	206
+c1cc(ccc1OC(=O)C)Cc2ccc(nc2)C(O)=O	225
+c1cc(ccc1F)-c2c3cc(C(=O)O)ccc3n(C(=O)C)n2	7054
+c1cc(ccc1-c2c(C(C)=O)c3ccnc(SC)n3n2)F	2108
+c1cc(ccc1F)C(=O)C2CCN(CC2)CCCCN3C(=O)c4c(NC3=O)cc(cc4)NC(=O)C	125
+c1cc(ccc1F)COC2=CC([NH+](C=C2)[O-])=O	4015
+c1cc(ccc1F)Cc2cnc3c(c2)N(C(C(C(=O)NCCOCC)=C3O)=O)CCNC(C)=O	206
+c1cc(ccc1I)C(=NOC(C)=O)N	7055
+CN(C)Cc1c2C(=O)N(C(N(Cc3c(F)cccc3F)c2nn1-c4ccc(cc4)NC(=O)C)=O)c5cccc(c5F)OC	125
+CC(C)(CC)c1ccc(cc1)NC(=O)C	125
+c1cc(ccc1NC(=O)C)CCCC	125
+c1cc(ccc1NC(=O)C)I	125
+c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl	125
+C1COCCN1c2ccc(cc2)NC(=O)C	125
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(N3CCCC(c4c3cccc4)COC(C)=O)=O	152
+c1cc(ccc1NC(=O)c2[nH]ncc2NC(=O)C)F	7056
+c1cc(ccc1C(C)C)N(Cc2ccc3c(c2)cc(C(O)=O)c(O)c3)C(C)=O	808
+c1cc(ccc1CC2=Nc3c(N(c4cccc(c4)-c5ccccc5)C2=O)nccc3)OC(=O)C	225
+c1cc(ccc1OC(=O)C)OC	225
+c1cc(ccc1OCC2(CCc3c(C)c(OC(C)=O)c(c(C)c3O2)C)C)[N+](=O)[O-]	225
+c1cc(ccc1OCCCCCCCC)C2=CC=C(C([NH+]2[O-])=O)CCCCCCCC	7057
+c1cc(ccc1C=O)OCCCCCCCCCCCCOC(C)=O	152
+c1cc(ccc1F)-c2sc(cc2-c3ccc(cc3)S(=O)(=O)C)NC(C)=O	2735
+c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3C(Br)(C(c4nc5n(CCN(Cc6ccccc6)C5)c4)OC(=O)C)C(N23)=O)=O	7058
+c1cc(ccc1[N+](=O)[O-])COC(C=2N3C(C(C(OC(C)=O)c4c5C6CC(CC6)c5n(C)n4)(Br)C3SC=2)=O)=O	4018
+c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3N2C(C3(Br)C(c4cc5COCCn5n4)OC(C)=O)=O)=O	4018
+c1cc(ccc1[N+]([O-])=O)OCC2(Oc3cc(Cl)c(cc3C(C2)=O)OC(C)=O)C	225
+c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F	125
+c1cc(ccn1)-c2c(c3cccc(Cl)n3n2)C(C)=O	2108
+C(C)(=O)NCc1cc(ccc1)-c2ccc3[nH]c4c(ccnc4C)c3c2	206
+c12ccccc1C(OC(=N2)C)=O	7059
+c1ccc2C(=O)C(C(=O)c2c1)=NNC(=O)Nc3c(cccc3)OC(C)=O	225
+c1c2CCN(CCc2ccc1)C(C)=O	319
+s1c2c(cccc2)c(NC(C)=O)c1C(O)=O	7060
+c1cc2c(cc1)c3c(cccc3)n2C(=O)C	4014
+c1c2CC(Cc2ccc1)NC(C)=O	206
+c1ccccc1-c2cc(NC(C)=O)n(n2)CC(OCC)=O	533
+c1cc(ccc1Nc2ncnc(c2)-c3ccccc3)CC(C(O)CCl)NC(C)=O	206
+c1ccccc1C(=O)c2c(OC(=O)C)cc3c(CCC3C(OC)=O)c2	225
+c1ccccc1C(=O)c2cc3c(C(C(=O)O)CC3)cc2OC(=O)C	225
+c1cc(ccc1)C(OC(C)=O)C(C)[N+]([O-])=O	152
+c1cc(ccc1)C(c2c(NC(C)=O)sc3CCCCc23)=O	2735
+c1cc(ccc1)C2(CCN(CC2)C(=O)C)CNC(=O)c3ccccc3OC	319
+c1ccccc1C2=CN(C(C)=O)C(C(C)C)C(N2CC(=O)NC(C(C#N)OC(C)=O)Cc3ccccc3)=O	152
+c1ccccc1C=Nc2ccc(OC(C)=O)c(c2)C(=O)OCC	225
+c1ccccc1CC(C(CC(CCC(C)(C)F)C(=O)N)OC(C)=O)NC(=O)c2nc3c(nc2)cccc3	152
+c1ccccc1CN2CCC(CC2)NC(=O)C	206
+c1ccccc1COC(N2CCCC2(C(=O)NC(C(OC)=O)C(OC(C)=O)C)Cc3ccccc3)=O	152
+c1ccccc1COC(=O)Nc2ccc(cc2O)NC(=O)C	125
+c1ccccc1COC(=O)C2CN(CCO2)C(C)=O	319
+c1ccccc1COC(N2c3c(cc(cc3)N4CC(CNC(=O)C)OC4=O)CCCC2)=O	206
+c1ccccc1COC(=O)NC(C(C)C)C(C(O)=O)OC(=O)C	7061
+c1ccccc1COC(NC(C(=O)OC)CNC(=O)C)=O	206
+c1ccccc1COC(c2c(ccc(c2)COC(C)=O)OC)=O	152
+c1ccccc1COC2CC(OC2COC(C)=O)N3C=C(C(NC3=O)=O)F	152
+c1ccccc1COCCCC(C)(C)COS(=O)(=O)CCCNC(C)=O	206
+c1ccccc1COCCOc2c(CN(C(C)=O)c3cc(F)ccc3Oc4ccccc4)cc(cc2)OC	808
+c1ccccc1COc2c3ccccc3c(CCOC(=O)C)c([N+]([O-])=O)c2	152
+c1ccccc1COc2c(OC)cc(c(NC(C)=O)c2)Br	125
+c1ccccc1COc2cccc([N+](=O)[O-])c2NC(C)=O	125
+c1ccccc1CSc2c(cc(cn2)NC(C)=O)C(C)C	2107
+c1ccccc1NC(=O)Nc2ccc(cc2)Oc3ncnc(c3)NC(=O)C	533
+c1ccccc1Nc2ccnc3[nH]c4CCN(C(C)=O)Cc4c23	319
+c1ccccc1Oc2c(NC(=O)C)cc(Cl)cc2	125
+c1cc(ccc1)Oc2c(cc(F)cc2)N(Cc3cc(OC)ccc3OCCOC4OCCCC4)C(=O)C	808
+c1ccccc1Oc2cc(C(C#N)COC(=O)C)ccc2	152
+c1ccn(c1)-c2cc([N+]([O-])=O)cc(NC(=O)C)c2	125
+c1ccn(c1)-c2cc(C(OC)=O)cc(COC(=O)C)c2	152
+c1n(c(nc1)Sc2ccc(cc2Cl)Nc3c4ccc(cc4ncc3C#N)C=CCOC(C)=O)C	7062
+c1n2nc(ccc2nc1NC(C)=O)Cl	7063
+c1(OC)c2c(c(cc1)OC)nccc2NC(=O)C	125
+c1c(-n2ccnc2)cccc1NC(C)=O	125
+n1(c(cc(C)n1)C)-c2nc(cc(NC(C)=O)n2)Cl	533
+N1(Cc2c(CC1)[nH]nc2Nc3cccc(c3)C(=O)OC)C(=O)C	319
+n1n(c2c(c1I)cc(NC(=O)C)cn2)C	2107
+C(CCCCCCCCCCCCO)CCCCOC(C)=O	168
+C(C)(c1c(n(Cc2ccccc2Cl)c3cc(ccc13)C(=O)N)CCC)=NO	1375
+CC(=O)c1c2c(cc(cc2)C(=O)N)n(c1CCC)Cc3ccccc3Cl	169
+CC(c1cc(cc(c1)Cl)C(=O)OC)=O	1030
+c1cc(ccc1)C(=O)Nc2cc(-c3cc(ccc3)C(=O)C)ccn2	3780
+FC(F)(F)c1ccc(c(N2CCCC2)n1)CNC(C(C)c3ccc(C#N)c(C)c3)=O	9
+Clc1cn(nc1)-c2ccc(cc2Cl)C(C)C(=O)O	1188
+FC(F)(F)c1ccc(c(-c2cccc(c2)C)n1)CNC(=O)C(C)c3ccc(C#N)c(Cl)c3	9
+CC(C(=O)O)c1cc2oc(N)nc2cc1	7064
+FC(F)(F)c1ccc(Oc2cc(ccc2)C(C(=O)O)C)c(c1)C=O	46
+CC(c1ccc([N+]([O-])=O)c(F)c1)C(OC)=O	27
+FC(F)(F)c1nc(c(CNC(C(c2ccc(nc2)C#N)C)=O)cc1)N3CCC(CC3)C	9
+C(N)(C(C)c1ccc2N(C(Sc2c1)=O)COC)=O	83
+CC(C(NNc1nnc(cc1)C(=O)OC)=O)c2ccc3ncccc3c2	355
+CC(C(=O)O)c1cc(ccc1)O	5
+FC(F)(F)c1ccc(cc1)C=C(c2ccc(cc2)OCCCCCCCCOC(C(C)=C)=O)C#N	7065
+c1ccccc1COC(NC(C(N)C)C)=O	101
+CC(c1nnc2n1nc(cc2)C(=O)OC)c3ccc4ncccc4c3	2736
+C1CN(CCN1Cc2ccccc2)C(=O)C(c3c(F)cccc3)C	10
+FC(F)(F)C(C(c1c(ccc(OC)c1)Cl)C)(O)c2ccc3c(N(C)C(=O)CO3)c2	1379
+CC1(C)Oc2c(cccc2)NC1=O	7066
+CC1(C)CC(CC(C)(C)N1)Nc2nc(ccn2)-c3ccc(cc3)C#CC(C)(C)N	197
+CC1(C)CC(CC(C)(C)N1)Nc2nccc(-c3ccc(s3)C#CC(C)(C)N)n2	1236
+FC(F)(F)CNc1c(cc(Cl)cn1)C(NC(C)(C)C#C)=O	3229
+CC(C)(C#Cc1ccc(c(C(c2ccc(cc2)Nc3c(cc(F)cc3)F)=O)c1)OC)N	197
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cnc(c3nc(-c4c(N)non4)n(CC)c23)C#CC(C)(C)O	7067
+CC(C)(C#Cc1ccc2nc(C(=O)OCC)cn2c1C)O	2379
+CC(C)(O)C#Cc1ccc(F)c(F)c1F	197
+CC(C)(C#Cc1cc(F)c(C#N)cc1)O	197
+CC(C)(C#Cc1cc2c(Oc3c(cc(Br)cn3)C24COC(=N)N4)cc1)O	7068
+c1cc(ccc1C#CC(C)(C)O)CCCCC	197
+c1cc(ccc1OC)C(C#CC(C)(C)O)O	4019
+c1cc(ccc1OC)OC(C)(C)C#C	3683
+CC1(C)OC(=CC1=O)c2ccc(cc2)OC	4020
+FC(F)(F)c1cc(ccc1)-c2cc3c(cc2)[nH]c(NC(=O)c4nc5ccc(c(n5c4)C)C#CC(C)(C)O)n3	4021
+C#Cc1cc(F)c(cc1)C#N	2110
+CC(C)(C#Cc1cc2c(cc1)Oc3c(cc(Br)cn3)C24COC(=N)N4)OC	7069
+CC(C)(C#Cc1cc2c(cc1)Oc3c(cc(cn3)-c4cnccc4)C25NC(=N)OC5)OC	1168
+CC(C)(C#Cc1c(n2c(nc(c2)C(O)=O)cc1)C)O	6
+CC(C)(C#N)c1nn(c(N)c1)-c2cccc(O)c2	752
+C[Si](C)(C)CCOCn1cc(C(NC(C2CC2)C(C)(C)C#N)=O)c3c1ncc(C4CC4)n3	484
+CC(C)(C#N)CCCC#N	913
+CC(C)(CN)Cc1cccc(Br)c1	51
+CC(C)(C)OC(=O)NC(CCCC)C(C#N)O	7070
+CC(C)(c1ccc(N)cc1C=C)C#N	7071
+c1cc(ccc1C)-c2cc(N)ccc2C(C)(C)C#N	11
+CC(C)(C#N)c1c(Br)cc(cc1)N	0
+CC(C)(c1c(C)ccc(F)c1)C=O	2013
+CC(C)(CN)c1cc(c(cc1)OC)OC	51
+CC(C)(c1cc(cc(C(C)(C)C#N)c1)Cn2ncnc2)C#N	4022
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)(C)C#N	17
+CC(C)(C#N)c1ncc(cc1)Nc2c3cc(Br)ccc3ncc2N	13
+CC(C)(c1ncc(cc1)N)C#N	13
+CC(C)(c1nc(ccc1)N)C#N	1380
+CC(C)(C#N)c1nc(ccc1)O	104
+ClC(Cl)(Cl)COC(=O)Nc1cc(C(C)(C)C#N)nn1-c2cccc(OCCOC3CCCCO3)c2	278
+CC(C)(C(=O)OCC)c1nsc2ccc(cc12)[N+](=O)[O-]	2061
+CC(C)(n1ncc(Cl)c1)C(OCC)=N	1664
+CC1(C)C(Nc2c(O1)cc(cc2)C)=O	4023
+CC1(C)Oc2c(NC1=O)cc(Br)c(F)c2	4023
+CC(C)(Br)C(Nc1ccccc1O)=O	829
+C1CCc2c1cc3CC(C)C(=O)c3c2	3348
+c1cc(ccc1C(C)(C)C(C(=O)O)NC)Br	4024
+c1ncncc1Cn2nc(-c3nc(c(nn3)C(C)(C)C(=O)OC)O)c4cc(cnc24)F	3553
+FC(F)(F)C(C)(C(C)(C)C(c1cc2c(n(-c3ccc(cc3)F)nc2)cc1)c4ccccc4)O	7072
+CC(C)(CCCCOCCCCCl)C(=O)OCC	204
+CC(C)(C(=O)N)c1ccccc1OCc2ccccc2	22
+CC(C)(c1ccccc1CCc2c(cnc(n2)Cl)Cl)C(N)=O	801
+CC(C)(c1c(cccc1)OCc2ccccc2)N	7073
+CC(C)(CN(c1nc(Nc2ccc(cc2OC)C(=O)OC)ncc1Br)C3CCCC3)C(NC)=O	55
+CC(C)(N(C)C)C(=O)NNc1ncc(F)cc1	355
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc(c(c1)Cl)[N+]([O-])=O)=O	10
+CC(C)(c1cc(c(cc1)F)OC)C(=O)N(OC)C	164
+CC(C)(C(OCCCC)=O)c1cc(O)c2c(OC(C)(C)C3CCC(CC23)O)c1	4025
+c1cc(ccc1C(C)(C)C(=O)O)O	5
+c1cc(ccc1C(C)(C)C(Nc2cc(ccc2)OCCOC)=O)S(=O)(=O)C=CC#N	33
+CC1(C)C(=O)NN=C1c2c3ccc(CC)nc3c(cc2)OC	7074
+c1cc(ccc1CN(CCC)C(=O)CCC(C)(C)C(=O)OC)-c2c(C#N)cccc2	58
+c1cc(ccc1)COCC(C)(C)C(=O)O	4
+c1cc(ccc1)COCC(C)(C)C(CC#N)=O	1982
+CC(C)(C(=O)OC)COc1ncc(-c2ccc3c(cc(nc3c2)C)C(=O)Nc4ccccc4)cc1	67
+c1cc(ccc1)NC(=O)c2cc(nc3c2ccc(-c4cnc(cc4)OCC(C)(C)C(=O)O)c3)C	4
+c1c(C)c(c(cc1CC(C)(C)C(=O)O)C)-c2[nH]c3ccc(cc3n2)-c4oc(-c5ccccc5C)nn4	4
+CC1(C)C(Nc2cc(N3CCOCC3)cnc12)=O	4026
+CC1(C)c2c(NC1=O)cc(Br)cn2	4026
+CC(C)(C)OC(N1CCN(CC1)C(C)(C)C(=O)OCC)=O	7075
+CC(C)(C)OC(=O)Nc1cccc(OC(C)(C)C(OCC)=O)c1	517
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(C)C(CCCc3cc(C)c(OC(C)(C)C(OCC)=O)cc3)C2	517
+CC(C)(Sc1ccc2c(c1)sc(N)n2)C(=O)OCC	3815
+O=S(=O)(CC)c1cc2c(OC(C)(C)C(=O)N2)c(c1)Br	7076
+CC(C)(C(OCC)=O)Oc1ccc([N+]([O-])=O)c(c1)F	517
+c1ccccc1-c2c3c([nH]c2C)cccc3OC(C)(C)C(=O)OCC	517
+CC(C)(Oc1ccc2c(c1)c(C(=O)OCc3ccccc3)c(C)[nH]2)C(OCC)=O	517
+C1CCCCC(C1)=C(c2ccc(cc2)O)c3ccc(cc3)OC(C)(C)C(OCC)=O	517
+CC(C)(C(OCC)=O)Oc1ccc(cc1)CCCC(=O)O	517
+FC(F)(F)c1ccc(cc1)-c2ccc(c(C)n2)CCOc3c4c(cccc4)cc(c3)OC(C)(C)C(OCC)=O	20
+CC(C)(C(=O)OCC)c1nsc2ccc(N)cc12	0
+CC(C)(C(C(N1CCCC1C(O)=O)=O)NC(OCC)=O)SC(C)C	4
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2C)Cl	4027
+CC1(C)C(C)(C)OB(O1)c2sc(cc2)C(=O)O	4027
+CC(C)(C(C)=O)c1cc(c(cc1)F)C#N	180
+c1cc(ccc1C=CC(C(C)(C)C(C)C)=O)Cl	964
+CC(C)(C(C)NS(=O)(=O)c1ccc(cc1)-c2c3cc([nH]c3ncc2)C4CC4)O	7077
+CC(C)(CCl)C(COc1ccc(cc1)-c2ccc(cc2)Cl)=O	717
+CC(C)(CF)C(COc1ccc(Cl)cc1Cl)=O	717
+c1cc(ccc1)[Si](c2ccccc2)(OCC(C)(C)C(=O)CBr)C(C)(C)C	328
+CC(C)(C(=O)N)c1ccccc1C#Cc2nc(Cl)ncc2Cl	838
+c1cc(ccc1)CSC(C)(C)C(C(=O)O)N	639
+c12c(C(=O)N(C1=O)CC(NC(c3cc(sc3)-c4ccnn4C)=O)C(C)(C)c5ccccc5)cccc2	2582
+CC(C)(Sc1cc2sc(N)nc2cc1)CN3CCCC3	15
+CC(C)(C(=O)NC)CN(C1CCCC1)c2nc(ncc2Br)Cl	54
+O=S(=O)(c1ccccc1)Nc2cc3c(n(c(C(C)(C)CC)n3)CC4CCCCC4)cc2	953
+CC(C)(CCC)C(=O)Cl	130
+CC(C)(CO)C(OCC)=O	939
+c1ccccc1COC(NC(C)(C)C(NC(CCc2ccccc2)C(OCC=C)=O)=O)=O	188
+CC(C)(C(O)=O)c1cncc(-c2ccc3c(CCC(=O)N3C)c2)c1	156
+CC(C)(O)C(Oc1c(cnc(Cl)n1)I)C	145
+CC(C)(O)C(C)Oc1ncnc(Cl)c1	145
+CC(C)(C(C)=O)c1cc(c(cc1)F)Br	86
+CC(C)(Oc1cc(C)c(SC#N)cc1C)C(=O)OC	517
+c1ccccc1COc2cc(c(cc2)OC(C)(C)C(OC)=O)C	517
+CC(C)(C(OC)=O)CC(c1ccc(cc1)-c2ccc(cc2)NC=O)=O	2111
+CC(C)(C(OC)=O)CC(c1ccc(cc1)-c2ccc(cc2)N)=O	2737
+CC(C)(COc1ccc(cc1)OC)CO	95
+C(C)C(CC)(c1cc(c(C#CC2(CCCC2)O)cc1)C)c3cc(c(C(NC(C)(C)C(OC)=O)=O)cc3)C	259
+CC(C)(C(=O)OC)NC(=O)c1ccc2c(nc3c(c2O)cccc3)c1	7078
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(c3)-c4cc(ccc4)C(=O)NC(C)(C)C(=O)OC)o2	259
+CC(C)(C(OC)=O)OCCCCCCCc1csc(n1)-c2ccccc2	3301
+CC(C)(C(OC)=O)OCCCCCCCC(=O)CCl	86
+CC(C)(C(OC)=O)OCCCCCCCC(O)CCl	7079
+CC(C)(C(OC)=O)OCCCCCCCC1OC1	553
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3c(cc(OC(C)(C)C(OC)=O)c(Cl)c3)Cl)c2	20
+c1ccccc1C#Cc2ccc(cc2)OCCc3csc(SC(C)(C)C(OC)=O)n3	129
+CC(C)(C(OC)=O)c1cc(c(OC)c(-c2c(ccc(C#N)c2)OC)c1)C=O	11
+CC(C)(c1cc(-c2[nH]c3c(cc(cc3)C(=N)N)n2)c(c(c1)-c4c(ccc(C#N)c4)OC)OC)C(=O)OC	622
+CC(C)(C(OCC)=O)CN	3664
+CC(C)(C)SCC(CC(C)(C)C(OCC)=O)=O	7080
+c1cc(ccc1S(=O)(=O)NCCCCCCC(C)(C)C(OCC)=O)Cl	7081
+CC(C)(CNC(c1c(c2ccc(cc2c(C#N)n1)Oc3cc4ccccc4cc3)O)=O)C(OCC)=O	658
+CC(C)(Oc1cc(c(N)cc1)F)C(OCC)=O	0
+c1cc(ccc1OCCN2C(=O)Sc3c2ccc(c3)C(=O)c4ccccc4)OC(C)(C)C(OCC)=O	7082
+FC(F)(F)c1ccc(cc1)-c2ncc(C(=O)NCc3cccc(c3)OC(C)(C)C(OCC)=O)c(C4CC4)n2	484
+FC(F)(F)c1ccc(cc1)CCNc2cccc(OC(C)(C)C(OCC)=O)c2	3418
+CC(C)(C(=O)O)c1cc(Cl)c([N+]([O-])=O)cc1	3
+CC(C)(CO)n1ncc([N+]([O-])=O)c1	44
+CC(C)(C(C)Oc1ncnc(OCC#CCC)c1)F	1138
+CC(C)([N+](=O)[O-])C(c1ccc2OCOc2c1)Cl	525
+CC(C)(C)C#Cc1sc(c(NC(OC(C)(C)C)=O)c1)C(OC)=O	1236
+CC(C)(C)C#Cc1c(NC(OC(C)(C)C)=O)cnc(c1)Cl	1243
+CC(C)(C)C#Cc1ccc(cc1F)C=2NC(=O)N(N=2)c3cc(ccc3Cl)CNC(C(C)C)=O	3732
+CC(C)(C)C#Cc1sc(c(N(C(C)C)C(=O)C2CCC(CC2)C)c1)C(=O)OC	1236
+CC(C)(C)C#Cc1ccc(C(=O)C)cc1Cl	197
+CC(C)(C)C#Cc1nc(Cl)ccc1N	3407
+CC(C)(C)C#Cc1cc(c(s1)C(=O)OC)N(C2CCC3(OCCO3)CC2)C(C4CCC(CC4)C)=O	1990
+CC(C)(C)C#Cc1ccc(cc1)CCS(=O)(=O)Nc2ccc(cc2S(=O)(=O)N)C	197
+CC(C)(C)C#Cc1cccc(N)c1C#N	197
+CC(C)(C)C#Cc1c(Cl)cc(cc1Cl)[N+](=O)[O-]	121
+CC(C)(C)C#Cc1c(c(C#N)cc([N+](=O)[O-])c1)N	197
+CC(C)(C)C#Cc1c(C)cc(c(C)c1)N	121
+CC(C)(C)C#Cc1c2c(c(nn1)Nc3ccc(cc3)Oc4ccnc5c4ncc(c5)OC)cccc2	7083
+CC(C)(C)C#Cc1cc(C)c(N=CN(C)C)cc1C	7084
+CC(C)(C)C#Cc1c(cc(cc1Cl)N=C=S)Cl	333
+CC(C)(C)C#Cc1c(Cl)cc(cc1Cl)N	0
+CC(C)(C)c1cc2cc(Cl)ncc2[nH]1	7085
+CC(C)(C)c1cc2c(c(C#N)cc([N+]([O-])=O)c2)[nH]1	2112
+CC(C)(C)c1n(CCO)c2cnc(Cl)cc2c1	7086
+CC(C)(C)C#Cc1sc(C(O)=O)c(N(C2CCOCC2)C(=O)c3ccc(cc3Cl)Cl)c1	1
+CC(C)(C)C#Cc1sc(c(N(C2CCC(CC2)O)C(=O)C3CCC(CC3)C)c1)C(=O)OC	100
+CC(C)(C)C#Cc1cc(N(C(c2ccc(cc2Cl)Cl)=O)C3CCOCC3)c(C(=O)OC)s1	4028
+CC(C)(C)C#Cc1cc(N(C2CCC(CC2)=O)C(C3CCC(CC3)C)=O)c(s1)C(=O)OC	97
+CC(C)(C)CCc1c(cc(C(C)=O)cc1)Cl	213
+CC(C)(C)CCc1cccc(N)c1C#N	213
+CC(C)(C)C#Cc1c(ccc(Cl)n1)NC(=O)CCC	308
+CC(C)(C)C#Cc1cc(N(C(C)C)C(C2CCC(CC2)C)=O)c(C(=O)O)s1	1
+CC(C)(C)C#Cc1sc(c(N)c1)C(=O)OC	4029
+CC(C)(C)c1nnc(CC#N)[nH]1	7087
+CC(C)(C)c1ncc[nH]1	7088
+CC(C)(C)c1noc(-c2ccc(cc2)C#Cc3cc(F)ccc3)n1	7089
+CC(C)(C)C1(CO1)C(F)(C)n2ncnc2	2113
+CC(C)(C)C(COc1n(-c2ccccc2)nc(C(=O)NC(C(=O)OC)CCC(=O)OC(C)(C)C)c1)=O	7090
+CC(C)(C)C(=O)CN1C(=O)C(CN(C2CCCCC2)c3ccc(C)cc13)NC(=O)OC(C)(C)C	7091
+CC(C)(C)C(=O)COc1c(C)cc(cc1)C(CC)(CC)c2nc3cc(C(=O)OC)ccc3o2	717
+CC(C)(C)C(=O)COc1ccc(cc1C)C(CC)(CC)c2cc3sc(cc3cc2)C(OCC)=O	717
+CC(C)(C)C(=O)COc1c(cc(cc1)C(CC)(CC)c2cc(c3oc(C(=O)OCC)cc3c2)C)C	717
+CC(C)(C)C(=O)COc1c(cc(cc1)C(CC)(CC)c2ccc3cc(C(OC)=O)ccc3c2)C	717
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2nc3ccc(C(=O)OC)cc3o2)cc1)C	717
+CC(C)(C)C(COc1ccc(cc1C)C(CC)(CC)c2oc3c(ccc(c3)OCc4ccccc4)c2)=O	717
+CC(C)(C)c1nc(N)sc1	1102
+CC(C)(C)C(CN1C(N(c2c(cc(s2)CC)C1=O)Cc3ccc(cc3)-c4c(C#N)cccc4)=O)=O	7092
+CC(C)(C)c1cc(N)n(n1)-c2cc(OC)ccc2	752
+CC(C)(C)c1cc(N)n(n1)-c2cc(c(cc2)C)I	752
+CC(C)(C)c1cc(N)n(-c2ccc3CCN(C(=O)C(F)(F)F)c3c2)n1	4030
+FC(F)(F)C(NCCc1cccc(c1)-n2c(N)cc(C(C)(C)C)n2)=O	752
+CC(C)(C)c1nn(-c2ccccc2C)c(c1)N	752
+CC(C)(C)c1nn(c(c1)N)-c2ccc(cc2)F	752
+CC(C)(C)c1cc(N)n(n1)-c2ccc(cc2)C	752
+CC(C)(C)c1cc(N)n(-c2ccc(cc2)[N+]([O-])=O)n1	752
+CC(C)(C)OC(=O)N1CC2CN(CC(C1)O2)CC(C(C)(C)C)=O	2382
+CC(C)(C)C(CN1C(C(CN(C2CCCCC2)c3c1cc(cc3)C)N)=O)=O	84
+CC(C)(C)C(CN1C(=O)c2cc(CC)sc2N(C1=O)Cc3ccc(cc3)-c4c(cccc4)C5=NOC(=O)N5)=NOC	350
+CC(C)(C)C(=O)COc1c(C)cc(cc1)C(CC)(CC)c2ccc3cc(oc3c2)C(O)=O	6
+CC(C)(C)C(COc1c(C)cc(cc1)C(CC)(CC)c2ccc(cc2)-c3nnn[nH]3)O	100
+CC(C)(C)C(=O)COc1c(C)cc(cc1)C(CC)(CC)c2ccc(cc2)C#N	1013
+CC(C)(C)C(=O)COc1c(C)cc(C(CC)(CC)c2ccc(cc2)-c3nnn[nH]3)cc1	1174
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2cc3ccc(cc3cc2)C(=O)N(C)C)cc1)C	115
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2oc3c(ccc(c3)C(O)=O)n2)cc1)C	1
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2nc3c(o2)cc(cc3)C(N(C)C)=O)cc1)C	30
+CC(C)(C)C1(OCCO1)COc2c(cc(cc2)C(CC)(CC)c3cc(c4oc(C(=O)OCC)cc4c3)C)C	381
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2ccc3c(ccc(C(=O)O)c3)c2)cc1)C	1
+CC(C)(C)C(COc1c(C)cc(cc1)C(CC)(CC)c2cc3c(cc(C(=O)N(C)C)s3)cc2)O	100
+CC(C)(C)C(COc1c(C)cc(cc1)C(CC)(CC)c2cc3sc(cc3cc2)C(O)=O)O	100
+CC(C)(C)C(=O)COc1ccc(C(CC)(CC)c2cc3c(cc(C(=O)N(C)C)s3)cc2)cc1C	867
+CC(C)(C)C(=O)COc1ccc(cc1C)C(CC)(CC)c2cc3sc(cc3cc2)C(O)=O	6
+CC(C)(C)C(OCC1CCN(CC1)C(=O)OC(C)(C)C)=O	204
+CC(C)(C)C(N1c2c(cccc2)NC(C(NC(OC(C)(C)C)=O)C1)=O)=O	192
+CC(C)(C)C(NS(=O)(=O)c1ccccc1NC(=O)c2cc(ccc2)OCc3ccc(cc3)C(C)(C)C)=O	2738
+CC(C)(C)C(=O)NCc1cc(c(cc1)Cl)Nc2[nH]c3cc(c(Cl)cc3n2)N4C(CCC4)CN(C)C	68
+CC(C)(C)C(=O)Nc1nc2ccc(cc2cc1)-c3ccccc3C	195
+CC(C)(C)C(Nc1c(cc(Cl)cc1)C2Nc3ccccc3C2)=O	26
+CC(C)(C)C(=O)Nc1ccc(cn1)Cl	195
+CC(C)(C)C(=O)Nc1nn(C)c(c1C#N)N	195
+FC(F)(F)c1ccc(-c2nc3ccc(cn3c2)Br)cc1NC(C(C)(C)C)=O	26
+FC(F)(F)c1ccc(cc1NC(C(C)(C)C)=O)-c2nc3ccc(Cl)nn3c2	26
+CC(C)(C)C(NCc1ccc(Cl)c(Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(cc3n2C)OCC(F)F)c1)=O	68
+CC(C)(C)C(NCc1cc(c(cc1)Cl)C=2NC(=O)N(c3cc(Cl)c(cc3)F)N=2)=O	3733
+CC(C)(C)C(=O)NCc1c(cc(Cl)c(c1)C2=NC(=O)N(N2)c3cc(Cl)c(F)cc3)F	68
+CC(C)(C)C(=O)NCc1ccc(Cl)c(N)c1Cl	68
+CC(C)(C)C(=O)NCc1ccc(c(N)c1F)Cl	68
+CC(C)(C)C(Nc1c(ccc(-c2nc3ccc(Cl)nn3c2)c1)C)=O	26
+CC(C)(C)C(=O)Nc1ccc(c(OC)c1)Cl	26
+CC(C)(C)C(=O)Nc1ccc(C#N)c(OCC=C)c1	26
+CC(C)(C)C(Nc1nccc(c1)Cl)=O	195
+CC(C)(C)C(=O)NS(=O)(=O)c1cc(Cl)ccc1OCC(=O)N2CC(C)N(CC2C)Cc3ccc(cc3)F	2738
+CC(C)(C)C(Oc1c(c(O)nc2c1nccn2)-c3ccc(nc3Cl)Cl)=O	4031
+CC(C)(C)C(=O)NCc1c(F)c(c(F)cc1)N	68
+CC(C)(C)C(=O)Nc1ccc(c(c1)[N+]([O-])=O)F	26
+CC(C)(C)C(=O)Nc1c(c(c(Br)cc1)[N+]([O-])=O)C(OC)=O	26
+CC(C)(C)C(=O)Oc1cccc(C=O)c1	385
+CC(C)(C)C(Oc1c(-c2nnn[nH]2)cccc1)=O	385
+CC(C)(C)C(Nc1c(Cl)cccc1CO)=O	26
+CC(C)(C)C(=O)Nc1c(ccc(OC)c1)-c2ccccc2	26
+CC(C)(C)C(=O)NC(C)C(c1ccccc1)Oc2cc3c(n(-c4ccc(cc4)F)nc3)cc2C	68
+CC(C)(C)C(Nc1c(C)ccc(-c2c(n3nc(ccc3n2)OC)-c4ccc(cc4)F)c1)=O	26
+CC(C)(C)C(=O)Nc1n(Cc2ccc(cc2)OC)ncc1C(N)=O	195
+CC(C)(C)C(Nc1ccc(cc1)C#N)=O	26
+CC(C)(C)C(Nc1ccc(cc1)Cl)=O	26
+CC(C)(C)C(Nc1ncc(cc1)Br)=O	195
+CC(C)(C)C(=O)Nc1ccccc1C	26
+CC(C)(C)C(NC(c1nccnc1Cl)c2ccc3ccc(-c4ccccc4)nc3c2)=O	68
+CC(C)(C)C(=O)Nc1ccc(-c2ccccc2)cn1	195
+CC(C)(C)C(=O)Nc1c(C)ccc(c1)-c2nc3n(c2Br)nc(cc3)OC	26
+CC(C)(C)C(=O)Nc1cc(F)cnc1	308
+CC(C)(C)C(Nc1cncc(c1)Br)=O	308
+CC(C)(C)C(=O)Nc1n(C)nc(C)c1	195
+CC(C)(C)c1nc(co1)CCl	7093
+CC(C)(C)C(N(c1ccc(cc1)CN)C)=O	107
+CC(C)(C)C(N(C1CN(C(C(=O)N)C1)C(=O)OC(C)(C)C)C2CCC(CC2)C)=O	83
+FC(F)(F)C(N1CCc2c(C#CCCNC(C(C)(C)C)=O)c(ccc2CC1)Cl)=O	1247
+CC(C)(C)C(NCc1ccc(c(Nc2nc3c(cc(F)c(c3)C(Nc4ccc(c(Cl)c4)F)=O)n2C)c1Cl)Cl)=O	1023
+CC(C)(C)C(=O)NCc1ccc(c(N=C=S)c1F)F	1381
+CC(C)(C)C(=O)NCc1c(F)c(C(Nc2cccc3c(ncnc23)Oc4cccc(C(F)(F)F)c4)=O)c(cc1)Cl	487
+CC(C)(C)C(=O)NCc1c(Cl)c(N=C=S)c(cc1)Cl	1381
+CC(C)(C)C(=O)NCc1ccc(c(c1F)N=C=S)Cl	1381
+CC(C)(C)C(=O)NCc1c(F)c(c(cc1)F)Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(OCC(F)F)cc3n2C	1023
+Nc1c(-c2ncccc2)cc(Br)c(F)c1[N+]([O-])=O	685
+CC(C)(C)C(=O)Nc1c(-c2ccccn2)cc(Br)c(F)c1[N+]([O-])=O	31
+CC(C)(C)C(Nc1c(B(O)O)ccc(OC)c1)=O	281
+CC(C)(C)C(=O)Nc1c(C(=O)OC)c(cc(c1)F)O	16
+CC(C)(C)C(Nc1c(c2nc3n(c2cc1)CCC3)C(=O)OC)=O	2739
+Clc1cc(c(N)cc1)C(=O)c2cccnc2	685
+n1cccnc1-c2c(N)c(cc(Br)c2)[N+]([O-])=O	685
+CC(C)(C)C(Nc1c(F)c(C(=O)c2ccc3nccnc3c2)c(cc1)F)=O	335
+CC(C)(C)C(Nc1ccc(C#N)c2c1cc(C)o2)=O	7094
+CC(C)(C)C(=O)Nc1c(C(OC)=O)c(OCc2ccccc2)cc(F)c1	128
+CC(C)(C)C(=O)Nc1cncc(F)c1I	916
+CC(C)(C)C(=O)Nc1cc(c(cc1)NCC2CCCCC2)N	0
+CC(C)(C)C(Nc1c(C=O)cc(-c2ccccc2)cn1)=O	1031
+CC(C)(C)C(=O)Nc1c(c(O)c(C#N)cc1)CC=C	423
+CC(C)(C)C(=O)Nc1ncc(cc1)CC	1661
+CC(C)(C)C(Nc1ccc(CO)c(C)n1)=O	269
+CC(C)(C)C(=O)Nc1c(C=O)c(OC)c(cc1)Cl	151
+C1COCCN1c2cnc3ccc(cc3n2)C(c4ccc(cc4)N)=O	685
+CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)c2ccc3ncc(N4CCOCC4)nc3c2	335
+CC(C)(C)C(=O)Nc1ncc(Cl)cc1C=O	1031
+CC(C)(C)C(Nc1c(I)cc(N2CCN(CC2)C)nc1)=O	916
+CN(C)CCc1c(cc(-c2nc(ccc2)N)c(c1)OC)OC	1189
+CC(C)(C)C(=O)Nc1nc(ccc1)-c2c(cc(CCO)c(c2)OC)OC	35
+CC(C)(C)C(Nc1c(C(O)c2c(cc(Cl)cn2)NS(=O)(=O)c3ccc(c(C(F)(F)F)c3)Cl)c(ccc1)OC)=O	7095
+CC(C)(C)C(Nc1cc(ccc1)C(c2ccc3ncc(nc3c2)Cl)=O)=O	335
+CC(C)(C)c1[nH]c2c(cccc2)c1	7096
+Nc1cncc(F)c1I	4032
+CC(C)(C)CNc1n(nc(C)c1)C	15
+CC(C)(C)c1nc(O)c2c(n1)n(Cc3ccc(cc3)OC)nc2	7097
+CC(C)(C)C(=O)Nc1nc(-c2cc(CC)c(cc2OC)CCO)ccc1	35
+CN(C)CCc1cc(OC)c(-c2nc(N)ccc2)cc1CC	1189
+CC(C)(C)C(=O)Nc1nc(ccc1)-c2cc(c(CC=O)cc2OC)CC	24
+n1c(ccc(Cl)c1Cl)N	1189
+CC(C)(C)C(Nc1nc2c(c3c(cccc3)[nH]2)c(n1)Nc4cc(ccc4)Br)=O	1665
+CC(C)(C)C(=O)Nc1nc(Cl)c2c([nH]c3ccccc23)n1	1032
+CC(C)N(C(C)C)CC#Cc1c2c(nc(NC(=O)C(C)(C)C)nc2n(c1)Cc3c(c(c(C)cn3)OC)C)Cl	3958
+CC(C)(C)C(=O)Nc1cccc(-c2c(cc(CCN(C)C)c(c2)OC)OC)n1	61
+CC(C)(C)C(=O)Nc1nc(ccc1)-c2c(OC)cc(CC=O)c(c2)OC	24
+CC(C)(C)C(=O)Nc1nc(-c2cc(CC)c(CCN(C)C)cc2OC)ccc1	61
+CC(C)(C)C(=O)Nc1nc(Cl)c(Cl)cc1	395
+CC(C)(C)C(=O)Nc1c(I)cc2c(n1)ccc(-c3ccccc3C)c2	625
+Nc1c(cc(Cl)cn1)C=O	1189
+CC(C)(C)C(=O)Nc1[n+](cc(cc1)CC)[O-]	341
+CC(C)(C)c1c(Cl)nnc(Cl)c1	3836
+CC(C)(C)C(OC(CC)c1c2c(nc3N(CCCn23)c4c(Cl)cc(Cl)cc4)c(cc1)Cl)=O	7098
+CC(C)(C)C(=O)Oc1ccc(cc1)C(c2sc(S(=O)(=O)N)cc2)=O	7099
+CC(C)(C)C(OC1CC(C1)O[Si](C)(C)C(C)(C)C)=O	655
+C1CN(CCN1CC(COc2c(OC)cc3c(ncnc3O)c2)O)C	1666
+C1CCCN1CC(O)COc2c(OC)cc3c(ncnc3O)c2	1666
+CC(C)(C)C(=O)OCN1C=Nc2c(C1=O)cc(OC)c(O)c2	16
+C1CN(CCC1)CCCOc2cc3ncnc(c3cc2OC)O	1666
+C1CC(CCC1)Cn2c3c(OC)cccc3c(-c4nc(sc4)CO)c2	4033
+CC(C)(C)C(=O)OCn1nc(cc1)N2C(C(C(O)C(OC(C)(C)C)=O)OCC2)=O	4034
+CC(C)(C)C(=O)OCn1nc(cc1)N2CCOC(C(O)C(=O)O)C2=O	32
+CC(C)(C)C(=O)OCn1nc(N2C(C(C(O)C(Nc3ccc(cc3C(N)=O)I)=O)OCC2)=O)cc1	33
+C(C)OC(OCC)c1ccc(nc1)-c2c[nH]nn2	4035
+CC(C)(C)C(=O)Oc1cc2c(CC(CC2)c3ccc(cc3NCCCc4ccc(cc4)CC(=O)O)OC)cc1	7100
+CC(C)(C)C(=O)Oc1cccc(CO)c1	41
+CC(C)(C)C(=O)Oc1cc(CP(OCC)(OCC)=O)ccc1	590
+CC(C)(C)C(c1ccc(CC(C)C(=O)O)c(Br)c1)=O	4036
+CC(C)(C)[Si](C)(C)OCc1ccc(c(c1)C(=O)C(C)(C)C)-c2cc(ccc2F)OC	19
+CC(C)(C)C(=O)c1c2c(cc(OC)cc2)n(CC(=O)O)n1	3
+CC(C)(C)c1nc(c(s1)-c2nc(ncc2)Cl)-c3cccc(c3F)NC(OCC=C)=O	873
+CC(C)(C)c1sc(c(-c2c(c(ccc2)NS(=O)(=O)c3c(cccc3F)F)F)n1)-c4nc(Cl)ncc4	873
+CC(C)(C)C(O)C#Cc1ccc(cc1)C(CC)(CC)c2cc(C)c(OCc3ccccc3)cc2	197
+CC(C)(C)c1c(N)n[nH]c1N	4037
+CC(C)(C)C(NC(C(NCC)C(C)(C)c1ccccc1)=O)C(N(C)C(C=C(C(=O)OCC)C)C(C)C)=O	207
+CC(C)(C)C(C(N)=O)N	334
+CC(C)(C)C(C(=O)N1CCC2N(CC(c3c4ccc(cc4[nH]c3)F)C12)C5CCCC5)N	84
+CC(C)(C)C(NC(=O)c1[nH]c2ccccc2c1)C(N3C4CC(N(C(=O)c5ccc(-c6ncc(C#N)cc6)cn5)C4)C3)=O	147
+CC(C)(C)C(NC(=O)c1[nH]c2ccccc2c1)C(N3C4CC(C3)N(C(=O)c5ccc(cn5)Br)C4)=O	147
+C[Si](C)(C)CCOCn1cc(C(NC(C(C)(C)C)C(N2CCC(CC2)C#N)=O)=O)c3c1ncc(Br)n3	2717
+CC(C)(C)C(NC(=O)OC)C(NC(C(CC(NC(=O)OC(C)(C)C)Cc1ccccc1)O)Cc2ccccc2)=O	9
+CC(C)(C)C(C(NNCc1ccccc1)=O)NS(=O)(=O)C	355
+CC(C)(C)C(C(=O)O)NC(=O)C(C1CCCCC1)NC(=O)c2cnccn2	4
+CC(C)(C)C(NC(=O)N1C(N(c2ccccc12)CCC(C)(C)O)=O)C(=O)N	7101
+CC(C)(C)C(C(N)=O)NC(c1c2c(n(Cc3noc(C)c3)n1)cccc2)=O	712
+CC(C)(C)C(N)C(N1CCC(CC1)(O)c2ccccc2)=O	84
+CC(C)(C)C(C(NC)=O)NC(c1c2n(CCN(C(OC(C)(C)C)=O)C2)c(n1)-c3ccccc3)=O	1795
+CC(C)(C)C(NC(=O)c1c2CNCCn2c(-c3ccccc3)n1)C(NC)=O	2
+CC(C)(C)C(C(=O)O)NS(=O)(=O)C	4038
+CC(C)(C)C(NC(=O)c1ccccc1C)C(O)=O	946
+CC(C)(C)OC(=O)C(C(C)(C)C)NCCN	45
+CC(C)(C)C(O)(C)C(=O)O	7102
+CC(C)(C)C(=Cc1c(Cl)cc(cc1)Cl)C	846
+CC(C)(C)C(Cc1cc(c(cc1)OC)OCc2ccccc2)=O	3517
+CC(C)(C)C(C)N(Cc1ccc2n(COC(N3CCCC3)=O)c(nc2c1)N)C(=O)OCc4ccccc4	4039
+CC(C)(C)C(C)N(C(=O)OCc1ccccc1)Cc2ccc(NCOC(=O)N3CCCC3)c(c2)N	0
+CC(C)(C)C(Nc1nc(ncc1F)-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)F)CCC(=O)OCC	783
+CC(C)(C)C(C=CC(OCC)=O)Nc1nc(ncc1F)-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)F	1344
+CC(C)(C)C(Nc1c(F)cnc(n1)Cl)CC(OC)=O	40
+CC(C)(C)C(Nc1nc(ncc1F)-c2c[nH]c3ncc(cc23)F)CC(=O)O	4
+CC(C)(C)C(CC(OC)=O)Nc1c(F)cnc(-c2c[nH]c3ncc(cc23)F)n1	392
+CC(C)(C)C(C(C(=O)OCC)=CN(C)C)=O	2740
+CC(C)(C)C(CN1C(C(CN(C2CCCCC2)c3ccc(C)cc13)NC(=O)Nc4cc(C(O)=O)ccc4)=O)=O	6
+CC(C)(C)C(=O)CN1C(N(c2sc(cc2C1=O)CC)Cc3ccc(cc3)-c4c(cccc4)C5=NOC(=O)N5)=O	618
+CC(C)(C)C(CN1CC2CN(CC(C1)O2)CCc3ccc(cc3)C#N)=O	123
+CC(C)(C)C(O)CN1C(=O)C(=C(n2c1nc(C)n2)CCC)Cc3ccc(cc3)-c4ccccc4C#N	100
+CC(C)(C)C(OC)CN1c2n(nc(C)n2)C(=C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)C1=O)CCC	618
+CC(C)(C)c1oc(-c2cc(OCC3CC3)c(C4CC4)cn2)nc1	7103
+CC(C)(C)C(C)(C=O)O	24
+CC(C)(C)C(COc1c2c(ncn1)oc(c2-c3ccc(cc3)CC)-c4ccccc4)CO	2741
+CC(C)(C)C(Nc1nc(ncc1F)Cl)C=O	24
+CC(C)(C)C(COS(=O)(=O)C)Nc1nc(ncc1F)Cl	7
+CC(C)(C)C(COC)(COC)COC(C)(C)C(C)C	76
+CC(C)(C)C(CSC(=O)C)Nc1nc(Cl)ncc1F	7104
+CC(C)(C)C(CN=[N+]=[N-])Nc1c(F)cnc(n1)Cl	133
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2cc3cc(ccc3s2)OS(=O)(=O)C)C)=O	444
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2cc3cc(O)ccc3s2)C)=O	5
+CC(C)(C)OC(COCC(C(C)(C)C)COc1ncnc2oc(c(-c3ccc(cc3)CC)c12)-c4ccccc4)=O	337
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2cc3ccc(OS(=O)(=O)C)cc3o2)C)O	100
+CC(C)(C)C(COc1ccc(cc1C)C(CC)(CC)c2cc3ccc(OS(=O)(=O)C)cc3o2)=O	444
+CC(C)(C)C(COc1ccc(cc1C)C(CC)(CC)c2cc3ccc(cc3o2)O)=O	16
+CC(C)(C)C(COc1n(nc(C(NC(CCC(=O)OC(C)(C)C)C(O)=O)=O)c1)-c2ccccc2)=O	4
+CC(C)(C)C(Nc1c(F)cnc(-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)F)n1)CS(=O)(=O)C	1344
+CC(C)(C)C(CSC)Nc1nc(ncc1F)Cl	3424
+CC(C)(C)C(CS)Nc1c(F)cnc(Cl)n1	1113
+CC(C)(C)C(CS(=O)(=O)C)Nc1nc(ncc1F)Cl	991
+CC(C)(C)C(Cc1ccc(c(OCc2ccccc2)c1)OC)NC=O	707
+CC(C)(C)C(Cc1cc(c(OC)cc1)OCc2ccccc2)N	7105
+CC(C)(C)C1Cc2c(C=N1)cc(c(c2)OCc3ccccc3)OC	2742
+CC(C)(C)C(Nc1c(cnc(-c2c[nH]c3ncc(cc23)F)n1)F)Cn4cc(nn4)CO	392
+CC(C)(C)C(=O)N(C1CC(C#N)N(C(OC(C)(C)C)=O)C1)C2CCC(CC2)C	143
+CC(C)(C)C(N(c1ccc(cc1)CNc2c3c(CCN(C(C(F)(F)F)=O)CC3)ccc2Cl)C)=O	1627
+CC(C)(C)C(C)NC(Nc1cc(OC)cc(OC)c1)=C(S(=O)(=O)C)C#N	7106
+CC(C)(C)C(NCCc1c(oc(n1)COc2ccccc2)C(=O)OCC)C	285
+FC(F)(F)C(C)Oc1c(C2CC2)cnc(C(NC(C(C)(C)C)C#N)=O)c1	81
+CC(C)(C)C(C(NC)=O)NC(=O)c1c2n(CCN(C(OC(C)(C)C)=O)C2)c(n1)Br	4040
+CC(C)(C)C(NC(=O)c1c2cccc(c2n(n1)Cc3ccc(cc3)C#N)F)C(=O)NCCO	712
+C[Si](C)(C)CCOCn1cc(c2nc(C3CC3)cnc12)C(NC(C(N4CCC(CC4)(O)c5ccccc5)=O)C(C)(C)C)=O	2717
+CC(C)(C)C(CO)Nc1c(F)cnc(Cl)n1	40
+CC(C)(C)C(NC(c1nn(c2C3CC3Cc12)-c4cc(Br)ccn4)=O)CO	81
+CC(C)(C)OC(=O)NC1C(N(c2c(cccc2)N(C1)C(=O)C(C)(C)C)CC(c3ccccc3C)=O)=O	4041
+CC(C)(C)C(=O)N1c2ccccc2N(CC(c3ccccc3C)=O)C(C(C1)NC(Nc4cccc(c4)C)=O)=O	1631
+CC(C)(C)C(NC(=O)OC)C(NC(Cc1ccccc1)C(O)CC(N)Cc2ccccc2)=O	12
+CC1(C)C(C)(C)OB(O1)c2ccc(C(N3CC4CC3CN4C(C(NC(=O)c5[nH]c6ccccc6c5)C(C)(C)C)=O)=O)nc2	234
+CC(C)(C)C(C(NC)=O)NC(c1nc(n2CCN(S(=O)(=O)CC)Cc12)-c3ccccc3)=O	112
+CC(C)(C)C(NC(c1ccccc1C)=O)C(=O)N	83
+CC(C)(C)C(NC(C(NCC)C(C)(C)c1ccccc1)=O)C(N(C(C(C)C)C=C(C)C(=O)O)C)=O	108
+CC(C)(C)C(C(NC(C1CCCCC1)C(NC)=O)=O)N	84
+CC(C)(C)C(NC(OC(C)(C)C)=O)C(NC(C(=O)NC)C1CCCCC1)=O	248
+CC(C)(C)OC(=O)NC(C(C)(C)C)C(=O)N1C(C(NC(Cc2ccc3ccccc3c2)C(=O)OC)=O)C(CC1)N=[N+]=[N-]	348
+CC(C)(C)C(C(=O)N)NC(=O)OCc1ccccc1	83
+CC(C)(C)C(NC(=O)c1ccc([n+](c1)[O-])-c2c(c(F)cc(C(NC3CC3)=O)c2)C)C	103
+CC(C)(C)C(NC(c1ccc(cc1)-c2cnc3n(n2)c(C4(CC4)c5ccc6ncsc6c5)nn3)=O)C(O)=O	32
+CC(C)(C)C(C(=O)N(C)C)NC(c1ccc(cc1)-c2cnc3n(n2)c(C4(CC4)c5ccc6ncsc6c5)nn3)=O	10
+CC(C)(C)C(NC(c1ccc(cc1)-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)=O)C(O)=O	32
+CC(C)(C)c1n2ccnc(Cl)c2c(-c3cc4nc(-c5ccccc5)ccc4cc3)n1	4042
+CC(C)(C)C(NC(c1c2c(C3CC3C2)n(-c4nccc(C#N)c4)n1)=O)CO	7107
+CC(C)(C)C(NCCc1nc(COc2ccccc2)oc1C(O)=O)C	6
+CC(C)(C)C(=O)NCc1c(c(C(O)=O)c(cc1)Cl)F	6
+CC(C)(C)C(C)N(C(=O)OCc1ccccc1)Cc2ccc(c(c2)[N+]([O-])=O)NCOC(=O)N3CCCC3	66
+CC(C)(C)C(Nc1c(-c2c(n(nc2C#N)CC)CC)ccc(c1)OC)=O	800
+c1cc(ccc1)C(=O)c2c(N)nccc2Cl	1189
+CC(C)(C)C(Nc1ncc(-c2ccccc2)cc1-c3[nH]c4ccccc4n3)=O	1637
+C1CC1c2nc(c(s2)-c3nc(ncc3)SC)-c4cc(cc(c4F)N)Cl	685
+C1COCCN1c2cnc3c(cc(C(=O)c4c(F)c(cc(F)c4F)N)cc3)n2	685
+CC(C)(C)C(Nc1nc(ncc1F)-c2c[nH]c3ncc(cc23)F)CS(=O)(=O)C	392
+CC(C)(C)C(CC(OC)=O)Nc1nc(ncc1F)-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)F	1344
+CC(C)(C)C(Nc1cnc(N2CCN(CC2)C)cc1-c3c(C)cccc3)=O	1164
+CC(C)(C)C(Nc1c(F)c(c(F)c(c1)F)C(c2cc3c(cc2)ncc(N4CCOCC4)n3)=O)=O	335
+BrC1(Br)C2C1COc3c(c(N)cc(c23)F)C(OC)=O	685
+Nc1ccc2c(nc3CCCn23)c1C(=O)OC	685
+CC(C)(C)C(=O)Nc1c([N+](=O)[O-])cc(cc1-c2ncccn2)Br	31
+CC(C)(C)C(Nc1c(ccc(-c2nc3ccc(nn3c2)-c4c(ccnc4)C(F)(F)F)c1)C)=O	2512
+CC(C)(C)C(Nc1ccc(c(C(c2cc3c(cc2)nccn3)O)c1)F)=O	257
+CC(C)(C)C(=O)Nc1c(c2c(C=CCO2)c(F)c1)C(=O)OC	1318
+C1CN(CCC1Nc2c(cnc(c2)N)Cl)C	1189
+C1COCCN1c2cnc3ccc(cc3n2)C(c4cccc(c4)N)=O	685
+CC(C)(C)C(Nc1ccc(c(C)n1)COCC)=O	481
+CC(C)(C)C(=O)Nc1c(C(c2cccnc2)=O)cc(cc1)Cl	814
+c1cc2c(cc1C(c3cc(ccc3F)N)=O)nccn2	685
+CC(C)(C)C(=O)Nc1c(c(C(O)c2cc3c(cc2)nccn3)c(cc1)F)F	1641
+CC(C)(C)C(Nc1ccc(F)c(c1)C(c2cc3c(nccn3)cc2)=O)=O	335
+Cc1nc(ccc1COCC)N	1189
+c1cc(ccc1N)-c2ncccn2	685
+CC(C)(C)C(Nc1ccc(cc1)-c2ncccn2)=O	345
+CC(C)(C)C(Nc1ccc(cc1)B(O)O)=O	422
+CC(C)(C)C(=O)N(C)c1ccc(cc1)C#N	239
+CC(C)(C)C(Nc1ccc(Cl)cc1C(O)c2cnccc2)=O	7108
+CC(C)(C)C(=O)Nc1ccc(cc1)Oc2cc3nc(cnc3cc2)N4CCN(CC4)C(=O)OC(C)(C)C	4043
+CC(C)(C)C(=O)Nc1cccc(c1)C(O)c2ccc3ncc(Cl)nc3c2	257
+CC(C)(C)C(=O)Nc1c(cccc1)-c2c(C)n(Cc3ccccc3)nc2C#N	800
+C1CN(CCN1C)c2cc(-c3c(C)cccc3)c(cn2)N	4032
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cc(cnc3)NC(=O)C(C)(C)C	156
+CC(C)(C)C(Cn1cc(nn1)CO)Nc2nc(ncc2F)-c3c4cc(cnc4n(S(=O)(=O)c5ccc(cc5)C)c3)F	1344
+CC(C)(C)C(C=CC(OCC)=O)Nc1nc(ncc1F)Cl	1667
+n1c(N)nc2[nH]c3c(cccc3)c2c1Nc4cccc(c4)Br	4044
+CC(C)(C)C(Nc1cc(Cl)c(cn1)Cl)=O	395
+CC(C)(C)C(Nc1c(C(c2ccccc2)=O)c(ccn1)Cl)=O	7109
+CC(C)(C)C(CN1c2nc(C)nn2C(CCC)=C(C1=O)Cc3ccc(cc3)-c4ccccc4C#N)OC	76
+CC(C)(C)C(CNC(=O)c1ncc(C2CC2)c(c1)OCC3CC3)=O	86
+CC(C)(C)[Si](C)(C)OC1CC(C1)O	4033
+CC(C)(C)C(=O)OCC1CCNCC1	2
+CC(C)(C)C(OCOC(=O)C(Cc1cc2c(nc(cc2)-c3c(cccc3Cl)Cl)cc1)NC(c4c(Cl)cccc4Cl)=O)=O	7110
+CC(C)(C)C(=O)OCN1C=Nc2cc(OCc3ccccc3)c(cc2C1=O)OC	7111
+C1CC(CCN1C)Oc2cc(OC)cc3ncnc(c23)O	1666
+c12cc(cc(OCCCl)c1c(ncn2)O)OC	1666
+CC(C)(C)C(OCN1C=Nc2c(C1=O)c(OCCCl)cc(OC)c2)=O	1668
+CC(C)(C)C(OCn1cc(-c2ccc(nc2C)Cl)nn1)=O	7112
+CC(C)(C)C(=O)OCn1nnc(-c2ccc(C(OCC)OCC)cn2)c1	2743
+Cc1c(ccc(n1)Cl)-c2[nH]nnc2	4035
+CC(C)(C)C(OC1=C(c2c(nc(cc2)Cl)Cl)C(N(c3nccnc13)CC(F)F)=O)=O	7113
+CC(C)(C)C(=O)c1nn(c2cc(OC)ccc12)CC(=O)OCC	1458
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)C(C(C)(C)C)(c3cncnc3)O)C	17
+CC(C)(C)Cc1cc(Br)c(CC(C)C(=O)O)cc1	165
+CC(C)(C)C(c1c(cc(I)cc1)[N+](=O)[O-])OC(=O)C2CC3CCC2(C)C3(C)C	204
+CC(C)(C)C(COc1ccc(cc1)F)(O)C(C)(F)n2cncn2	626
+CC(C)(C)C(COC)(CO)COC(C)(C)C(C)C	4045
+C1OC2(OCC1(CO2)C(C)(C)C)CCCCCC#C	7114
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)Nc2ccc(cc2)C(O)=O	7115
+CC(C)(C)C1=CC(C=C(C(C)(C)C)C1=O)=Nc2ccc(cc2)C(=O)O	7116
+CC(C)(C)C=1ON(C(=O)C=1)c2ccc(cc2[N+]([O-])=O)S(=O)(=O)CCO	7117
+CC(C)(C)c1nc2n(c(c(c(C)c2C#N)-c3ccccc3)Cl)n1	7118
+CC(C)(C)C1C(=C(C(N1Cc2cc(Cl)c(cc2)F)=O)C=3N=S(c4c(ccc(N)c4)N=3)(C)=O)O	0
+CC(C)(C)C1C(=C(C=2N=S(C)(c3cc(ccc3N=2)NS(=O)(=O)C)=O)C(N1Cc4cc(Cl)c(cc4)F)=O)O	80
+CC(C)(C)C1CC(C1)=O	2744
+CC(C)(C)C1CCC(CC1)=Cc2ccc3cc(CN4CCC(CC4)C(=O)OCC)ccc3c2	7119
+CC(C)(C)C1CCC(CC1)=Cc2ccc3cc(ccc3c2)CN4CCC(CC4)C(O)=O	3
+CC(C)(C)C1CCC(CC1)=C	2114
+CC(C)(C)C1CCC(CC1)C(NC(CC)c2nnc(-c3cc(ccc3)[N+](=O)[O-])nc2O)=O	68
+CC(C)(C)C1CCC(CC1)NC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl	14
+CC(C)(C)C1CCC(CC1)NC(=O)c2ccc(cc2)Oc3cc4c(cc3Cl)C(C(=O)O)CCO4	3
+CC(C)(C)C1CCC(CC1)Oc2cccc3cc(ccc23)C=O	1669
+CC(C)(C)C1CCC(CC1)Oc2ccc3c(c2)ccc(c3)CNC45CCC(CC4)(C(C5)O)C(=O)O	3
+CC(C)(C)C1CCC(CC1)Oc2ccc3cc(ccc3c2)CNCCC(=O)NS(=O)(=O)C	42
+CC(C)(C)C1CCC(CC1)Oc2ccc3c(ccc(c3)C=O)c2	146
+CC(C)(C)C1CCC(CC1)Oc2cccc3cc(ccc23)CNC4C(C)(C)C(C4)C(=O)OCC	42
+CC(C)(C)C1CCC(CC1)Oc2cccc3cc(CNC4C(C)(C)C(C(O)=O)C4)ccc23	3
+CC(C)(C)C1CCC2(CC1)CC(CN)(CO2)O	51
+CC(C)(C)C1CCN(CC1)CCCNC(Nc2cc(N3C(=C(C)NC(C)=C3C(OC)=O)C(OC)=O)ccc2)=S	1167
+CC(C)(C)C1CCc2c(cc3c(n2)sc(c3)C(NC(c4cccc(Br)c4)CN)=O)C1	18
+CC(C)(C)C1CCc2nc3sc(cc3cc2C1)C(Cl)=O	2115
+CC(C)(C)C1CCc2c(cc3c(n2)sc(C(NC(CN=[N+]=[N-])c4cc(ccc4)Br)=O)c3)C1	1256
+CC(C)(C)C1Cc2c(cc(c(OCc3ccccc3)c2)OC)C4CC(=O)C(=CN14)C(=O)OCC	2745
+CC(C)(C)C1N2C(c3cc(OC)c(OCc4ccccc4)cc3C1)=CC(=O)C(C(OCC)=O)=C2	2746
+CC(C)(C)C1Cc2c(C3=CC(=O)C(C(OCC)=O)=CN13)cc(c(c2)O)OC	16
+CC(C)(C)C1OCCC(=O)C1	86
+CC(C)(C)c1nc(c2cc(I)ccc2n1)O	4046
+CC(C)(C)C1CC(=O)C1(Cl)Cl	2747
+CC(C)(C)C(c1ccc(cc1[N+](=O)[O-])I)O	7120
+CC(C)(C)Cc1nnc(-c2ccc(cc2)[N+](=O)[O-])o1	877
+CC(C)(C)CC(=O)Nc1c(C)c2c(OCC2c3ccc(cc3)C(C)(C)O)c(c1C)C	1033
+CC(C)(C)CC(=O)Nc1c(c(c2c(C(CO2)c3ccc(cc3)C=O)c1C)C)C	494
+CC(C)(C)CC(=O)Nc1c(c(c2c(C(c3ccc(c(OCC(OCC)=O)c3)C(C)C)CO2)c1C)C)C	52
+CC(C)(C)CC(=O)Nc1c(c(c2c(C(c3ccc(cc3)C(C)O)CO2)c1C)C)C	449
+CC(C)(C)CC(=O)Nc1c(c(c2c(C(c3ccc(c(OCCO)c3)C(C)C)CO2)c1C)C)C	44
+CC(C)(C)CC(=O)Nc1c(C)c2C(COc2c(c1C)C)c3ccc(cc3)C(C)=O	155
+CC(C)(C)CC(=O)Nc1c(c(C)c2c(c1C)C(CO2)c3cc(O)c(cc3)C(C)C)C	5
+CC(C)(C)CC(=O)Nc1c(c2c(OCC2c3ccc(c(OC)c3)C(C)=O)c(c1C)C)C	94
+CC(C)(C)CC(=O)Nc1c(c(c2c(c1C)C(CO2)c3cc(OC)c(C(C)C)cc3)C)C	1382
+CC(C)(C)CC(=O)Nc1c(c2c(OCC2c3ccc(C(=C)C)c(OC)c3)c(c1C)C)C	2748
+CC(C)(C)CC(C)(C)c1c(cc2C(CC(Oc2c1)(COc3ccc(cc3)CC(Cl)C(OCC)=O)C)=O)OC(C)=O	1659
+CC(C)(C)CC(C)(C)c1c(cc2C(CC(Oc2c1)(COc3ccc(cc3)CC4SC(=O)NC4=O)C)=O)OC(C)=O	7121
+CC(C)(C)CC(C)(C)c1c(cc2C(CC(Oc2c1)(C)COc3ccc(cc3)N)=O)OC(C)=O	0
+CC(C)(C)Cc1nc2c(ccc(S(=O)(=O)C(C)C)c2)n1CC3CC3	849
+CC(C)(C)CC(Nc1c(C)cccc1C)=O	26
+CC(C)(C)CC(=O)N1CCC2(CCN(c3ccc(cc3)CC(F)(F)F)C2=O)CC1=O	4047
+CC(C)(C)CC(=O)N1CCC2(C(N(CC2)c3ccc(cc3)OC(F)(F)F)=O)CC1=O	4047
+FC(F)(F)c1cc(Br)cc(Cl)c1NC(=O)CC(C)(C)C	26
+CC(C)(C)CC(Nc1c(cc(cc1OC)Br)OC)=O	26
+CC(C)(C)CC(Nc1ccc2c(c1)cc(C(=O)OCC)n2-c3ccccc3)=O	26
+CC(C)(C)CC(=O)NNC(c1ccc(cc1)[N+](=O)[O-])=O	1086
+FC(F)(F)c1ccc(cc1)CNc2ccc(C)c(c2C)NC(=O)CC(C)(C)C	208
+CC(C)(C)CC(Nc1c(C)c(N)ccc1C)=O	0
+CC(C)(C)CC(Nc1c(C)ccc([N+]([O-])=O)c1C)=O	77
+CC(C)(C)CC(=O)Nc1c(OC)cc(cc1OC)N2CCc3c(C2)cccc3	79
+CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(n2-c3ccccc3)C(Nc4ccc(cc4)NC(OC(C)(C)C)=O)=O	187
+CC(C)(C)CC(Nc1cc2cc(n(-c3ccccc3)c2cc1)C(=O)O)=O	6
+CC(C)(C)CC(c1ccc(cc1)S)=O	3960
+CC(C)(C)CCc1ccc(cc1)S	165
+CC(C)(C)CC1C(c2cnc(Cl)cc2)(C(C(C(O)=O)N1)c3cccc(Cl)c3)C#N	32
+CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O	9
+CC(C)(C)CC1NC(C(c2cccc(Cl)c2F)C13c4cc(F)c(Cl)cc4NC3=O)C(=O)Nc5ccc(cc5OC)C#N	33
+CC(C)(C)CC1NC(C(C12c3c(cc(cc3)Cl)NC2=O)c4cc(Cl)cc(c4)F)C(Nc5c(cc(cc5)C#N)OC)=O	33
+CC(C)(C)CC1NC(C(C12c3c(cc(cc3)Cl)NC2=O)c4cc(Cl)cc(c4)F)C(Nc5ccc(C(N)=O)cc5OC)=O	216
+CC(C)(C)CC1NC(C(NCCC(O)CO)=O)C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3	265
+CC(C)(C)CC1NC(C(Nc2c(cc(C(N)=O)cc2)OC)=O)C(c3cccc(Cl)c3F)C14c5cc(F)c(Cl)cc5NC4=O	216
+CC(C)(C)CCn1c2CCCC(=O)c2c3ccc(cc13)OC	339
+CC(C)(C)CCC(=O)N1CCN(CC1)c2cc(ccn2)C(NO)=N	181
+CC(C)(C)CCC(N1CC(Oc2c(cccc2)Cl)=CC1=O)C(O)=O	4
+CC(C)(C)CCC(C(Nc1ccn(CC(CO)O)n1)=O)N2CC(Oc3c(cccc3)Cl)=CC2=O	265
+CC(C)(C)CCC(N1CC(Oc2c(cccc2)Cl)=CC1=O)C(Nc3ccn(CC4OC(C)(C)OC4)n3)=O	142
+CC(C)(C)CCCNCc1ccc(Oc2ncc(C(=O)N)nc2)c(OC)c1	42
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C	2749
+CC(C)(C)CCNC(Nc1cc(c(Br)cc1F)-c2c(nc3c(cnc(SC)n3)c2)C)=O	2749
+CC(C)(C)CCNC(Nc1c(F)cc(c(c1)-c2c(nc3cc(NC)ncc3c2)C)F)=O	2749
+CC(C)(C)CCN1C(=O)C(C=2NS(=O)(=O)c3c(ccc(NS(=O)(=O)C=C)c3)N=2)=C(C(=N1)c4cccs4)O	7122
+CC(C)(C)CCN1C(=O)C(C2=Nc3c(S(=O)(=O)N2)cc(cc3)N)=C(C(=N1)c4cccs4)O	7123
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C	9
+CC(C)(C)CCN1CCC(CC1)C(=O)O	3
+CC(C)(C)CCN1CCN(CC1)C(=O)CCc2c(cc(C(=O)N3CCc4c([nH]c(C)n4)-c5ccccc35)cc2)C	610
+CC(C)(C)CCN1CCN(CC1)C(=O)CCc2ccc(C(=O)O)cc2C	1
+CC(C)(C)CCN1C(C(=C(C(=N1)c2cccs2)O)C3=NS(=O)(=O)c4c(N3)ccc([N+](=O)[O-])c4)=O	7124
+CC(C)(C)CCNC(C(CC(O)C(NC(=O)c1cc(O)cc(N2CCCC2=O)c1)Cc3ccccc3)C)=O	14
+CC(C)(C)CCNC(N(N=O)CCCl)=O	7125
+CC(C)(C)CCNC(Nc1c(F)cc(C)c(c1)-c2c(nc3c(cnc(N)n3)c2)C)=O	4048
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(nc3cc(N)ncc3c2)C)c1)F)=O	1670
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(C)nc3c(cnc(NC(C)=O)c3)c2)c1)F)=O	7126
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(nc3cc(NC(OC(=C)C)=O)ncc3c2)C)c1)F)=O	7127
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(nc3c(c2)cnc(c3)NC(=O)N(C)C)C)c1)F)=O	7128
+CC(C)(C)CCNC(Nc1cc(-c2cc3cnc(NC)nc3nc2C)c(Br)cc1F)=O	785
+CC(C)(C)CCc1c(OCc2cccc(C(CC(=O)O)C3CC3)c2)ccc(-c4cc(ccc4F)OC)c1	3
+CC(C)(C)Cn1c2c(cc(OCC=C)cc2)cc1	557
+CC(C)(C)COc1cnc(cc1)Cl	788
+CC(C)(C)COc1ccc(cc1)N2C(C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)N=C2CC)=O	116
+CC(C)(C)OC(NC(C(O)CC(C)C(=O)NCC(C)(C)C)CN1CC(=O)N(CC1(C)C)c2cc(F)ccc2Cl)=O	248
+CC(C)(C)OC(NC(CN1C(C)(C)CN(C(C1)=O)c2c(C)cccc2)C(CC(CC)C(NCC(C)(C)C)=O)O)=O	248
+CC(C)(C)CNCc1cc2c(cc1)n(CC3N(CCC3)C(=O)CC#N)c(NC(c4sc(C(F)F)cc4)=O)n2	42
+CC(C)(C)CNS(=O)(=O)c1c(ccc(Oc2c(C)cc(cc2C)[N+]([O-])=O)c1)OCc3ccccc3	71
+CC(C)(C)CNC(=S)Nc1cccnc1	7129
+c1cc(ccc1)C(c2ccccc2)(CNC(OC(C)(C)C)=O)CNCC(C)(C)C	110
+CC(C)(C)CN(c1c([N+](=O)[O-])c(ncn1)Nc2c(C)ccc(C(NC)=O)c2)C	73
+CC(C)(C)CN(C)c1c(c(ncn1)Nc2cc(C(NC)=O)ccc2C)NC(=O)C	1616
+CC(C)(C)CN(C)c1ncnc(Nc2cc(C(NC)=O)ccc2C)c1N	193
+CC(C)(C)CN1c2c(C(c3c4c(ccc3)cccc4)SC(C1=O)CC#N)cc(cc2)Cl	143
+CC(C)(C)CN1C(=O)C(OC(c2cc(Cl)ccc12)c3cccc(c3OC)OC)CC#N	143
+CC(C)(C)CN1c2ccccc2CN(C(CC(=O)NCc3c(F)cccc3)C1=O)C(C4=CC([N+](=O)C=C4)=C=[N-])=O	7130
+CC(C)(C)CN1c2ccc(Cl)cc2C(c3cccc(c3OC)OC)OC(C1=O)Cc4noc(CCCCC(=O)OC)n4	2750
+CC(C)(C)CN1C(=O)C(OC(c2c1ccc(Cl)c2)c3cccc(c3OC)OC)CC(NO)=N	409
+CC(C)(C)CN1C(=O)C(CC(=O)N)SC(c2c3c(ccc2)cccc3)c4cc(ccc14)Cl	83
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3cc(CC#N)ccc3C)n2)=O	163
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3cc(ccc3C)CCN)n2)=O	51
+CC(C)(C)CN1C(N(C)c2nc(-c3c(C)ccc(CO)c3)ccc12)=O	88
+CC(C)(C)CN1C(N(C)c2nc(-c3c(ccc(c3)COC)C)ccc12)=O	49
+CC(C)(C)CN1C(=O)N(C)C(=O)C=C1N	3996
+CC(C)(C)CN1C(=O)C(CC(N)=O)OC(c2cccc(c2OC)OC)c3c1ccc(Cl)c3	83
+CC(C)(C)CN1c2ccc(cc2C(SC(Cc3nnn[nH]3)C1=O)c4cccc5ccccc45)Cl	4049
+CC(C)(C)CN1C(=O)C(N(Cc2ccccc12)C(=O)c3cc[n+](cc3)[O-])CC(=O)NCc4c(F)cccc4	103
+CC(C)(C)CN1c2c(CN(C(CC(=O)NCc3c(F)cccc3)C1=O)C(c4ccnc(C#N)c4)=O)cccc2	7131
+CC(C)(C)CN(C)c1ncnc(Cl)c1[N+]([O-])=O	54
+CC(C)(C)CN1C(N)=CC(NC1=O)=O	7132
+CC(C)(C)CNC(c1ccc(-c2cc(C(=O)NCC(O)C)cc(F)c2C)c(C(=O)N)c1)=O	14
+CC(C)(C)CNC(=O)c1cc(C(N)=O)c(-c2c(c(cc(c2)C(=O)O)F)C)cc1	153
+CC(C)(C)CN1C(N(c2cccnc2)C(=O)C1=O)=S	7133
+CC(C)(C)CNC(=O)c1cc(c(cc1)-c2cc(C(OC(C)(C)C)=O)cc(F)c2C)C(N)=O	169
+CC(C)(C)CNCc1cc2c(cc1)n(c(NC(c3sc(C(F)F)cc3)=O)n2)CC4CCCN4C(=O)C(=CC(C)C)C#N	847
+CC(C)(C)CNS(=O)(=O)c1c(ccc(Oc2c(cc(cc2C)N)C)c1)OCc3ccccc3	0
+CC(C)(C)CNc1c(cnc(n1)C#N)C#CCN2Cc3ccccc3CC2	7134
+CC(C)(C)COC(c1cc(c(N2CCC(CC2)C(=O)OC(C)(C)C)nc1C)C#N)=O	342
+CC(C)(C)COS(=O)(=O)c1c(C)ccc(c1)[N+]([O-])=O	1226
+CC(C)(C)COC(NC1CN(CC1)c2nc(-c3c(cccc3)O)nc4c2ccc(c4)C)=O	101
+CC(C)(C)COC(c1cc(C#N)c(nc1C)N2CCC(CC2)C(=O)O)=O	32
+CC(C)(C)COS(=O)(=O)c1cc([N+]([O-])=O)ccc1C=Cc2ccc(cc2)[N+](=O)[O-]	1265
+CC(C)(C)COS(=O)(=O)c1c(CP(OCC)(OCC)=O)ccc(c1)[N+](=O)[O-]	590
+CC(C)(C)COc1ccc(cc1)N2C(=O)C(=C(CCC)N=C2CC)Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4	1671
+CC(C)(C)COc1cnc(cc1)NN	383
+CC(C)(C)COc1cnc(N2NC=C(C2=O)n3nncc3)cc1	4050
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3nc(CC(C)(C)C)c(cc3)-c4cc(OC)ccc4F	7135
+CC(C)(C)Cc1nc(CCl)ccc1-c2cc(OC)ccc2F	3961
+CC(C)(C)OC(=O)NCc1c(c(CO)c(nc1CC(C)(C)C)C)-c2ccc(cc2)C	2751
+CC(C)(C)Cc1c(ccc(n1)COc2cccc(c2)C(CC(=O)O)C3CC3)-c4cc(OC)ccc4F	4
+CC(C)(C)Cc1cn(cn1)S(=O)(=O)N(C)C	2752
+CC(C)(C)Cc1ccc(c(Br)c1)CC(C)C(=O)Cl	130
+CC(C)(C)Cc1ccc2C(=O)c3ccccc3C(c2c1)=O	358
+CC(C)(C)Cc1ccc(cc1)C(c2ccccc2C(=O)O)=O	1943
+CC(C)(C)Cc1cn(c(n1)C=O)S(=O)(=O)N(C)C	1378
+CC(C)(C)Cc1c2c(oc1)cc(O)cc2	5
+CC(C)(C)Cc1n(c2c(cc(C(O)=O)cc2)n1)CC3CC3	1
+CC(C)(C)Cc1n(c2ccc(cc2n1)CO)CC3CC3	49
+CC(C)(C)Cc1nc2c(ccc(CCl)c2)n1CC3CC3	229
+CC(C)(C)Cc1nc(C2(CC2)N)cs1	7136
+CC(C)(C)OC(NC(Cc1cc(F)cc(F)c1)C(O)CNC2(CC2)c3csc(n3)CC(C)(C)C)=O	122
+CC(C)(C)Cc1nc(COc2cc(cc(CCC(=O)O)c2)OC)ccc1-c3cc(ccc3F)OC	3
+CC(C)(C)Cc1c(C#N)c(c(CO)c(n1)C)-c2ccc(cc2)C	4051
+CC(C)(C)Cc1nc(ccc1-c2cc(ccc2F)OC)COc3c(F)ccc(C(CC(=O)O)C4CC4)c3	4
+CC(C)(C)Cc1nc2cc(ccc2n1CC3CC3)CSC(C)C	1672
+CC(C)(C)Cc1onc(c1)-c2onc(c2C3CC3)C(CCCO)CC(Nc4ccc(Cl)cc4Cl)=O	118
+CC(C)(C)Cc1onc(c1)-c2c(c(C(CCCOCc3ccccc3)CC(Nc4ccc(Cl)cc4Cl)=O)no2)C5CC5	33
+CC(C)(C)Cc1onc(c1)-c2c(C3CC3)c(no2)C(CC(Nc4ccc(Cl)cc4Cl)=O)CCC(O)=O	4052
+CC(C)(C)c1cc2ccc3cccc4ccc(c1)c2c34	2753
+CC(C)(C)c1ccc(cc1)NC(=O)C	2753
+CC(C)(C)Cn1ccc2c(CC=C)c(ccc12)O	4053
+CC(C)(C)Cn1c(nc2cnc(C#N)nc12)C	738
+CC(C)(C)Cn1ccc2c(CCC)c(ccc12)O	732
+CC(C)(C)c1cc(c(c(S(=O)(=O)NC(C)(C)C)c1)OC)[N+](=O)[O-]	71
+CC1(C)OB(OC1(C)C)c2c3c(ccc2CNC(C)(C)C)cccc3	370
+CC(C)(C)Nc1nc(SC)ncc1C(OCC)=O	40
+C[Si](C)(C)CCOCn1c2nc(C)c(Br)nc2c(c1)C(NC(C)(C)C)=O	484
+C[Si](C)(C)CCOCn1c2ncc(nc2c(C(NC(C)(C)C)=O)c1)Br	484
+CC(C)(C)Nc1nc2c(-c3[nH]c4CCNC(c4c3)=O)cccc2nc1C	3726
+CC(C)(C)Nc1nc(c(cc1F)C#N)Cl	70
+CC(C)(C)Nc1nc(c(cn1)Br)SC	96
+CC(C)(C)Nc1cc(C(F)(F)F)c([N+]([O-])=O)cc1	60
+CC(C)(C)NC=1C(C(=O)C=1OCC)=O	7137
+CC(C)(C)NCC(O)COc1ccccc1-c2ccc(nn2)Cl	122
+CC(C)(C)NCc1c(cc(cc1)-c2cnc3ccc(nn23)NCCCC)F	42
+CC(C)(C)NC(=O)CC1CCN(CC1)c2nc(ccc2NC(=O)c3cc(Cl)ccc3)S(=O)(=O)C	9
+CC(C)(C)NS(=O)(=O)c1cc(S(=O)(=O)Cl)ccc1	71
+CC(C)(C)NS(=O)(=O)c1cc(Br)cnc1N	1362
+CC(C)(C)NS(=O)(=O)c1cn(C)c(C(OC)=O)c1	1362
+CC(C)(C)NC(c1cncc(c1)Oc2c(cc(cc2)[N+](=O)[O-])Cl)=O	56
+CC(C)(C)NC(=O)C(c1cn(c(C(Nc2cc(c(F)cc2)C)=O)c1)C)=O	2754
+CC(C)(C)Nc1nc(cc2ccnc(O)c12)Cl	4054
+CC(C)(C)Nc1ncccc1C(=O)Nc2c(Nc3cccc(c3F)F)ccnc2	182
+CC(C)(C)NC1=C(C(=O)C1=O)Nc2c(C)cccc2O	993
+CC(C)(C)Nc1n(c2c(cc(c(c2)Cl)Cl)n1)C3CC(CO)C(O)C3O	7138
+CC(C)(C)Nc1nc(nc(Cl)c1)N	40
+CC(C)(C)NC=1N(CC)C(=O)c2cccc(Br)c2N=1	7139
+CC(C)(C)NC(c1cc(-c2ncc(C)cc2)n(-c3cccnc3)n1)=O	81
+CC(C)(C)Nc1ccc(cc1[N+]([O-])=O)Br	60
+CC(C)(C)Nc1cc(Br)ccc1[N+]([O-])=O	60
+CC(C)(C)NC(=O)c1cc(CCl)ccc1	93
+CC(C)(C)NC(=O)c1ncc(cc1)O	81
+CC(C)(C)NC(=O)C(CC)Oc1ccc2ncc(Br)cc2c1	9
+CC(C)(C)NC(=O)c1cnn2ccc(nc12)N3CCCC3c4cc(ccc4F)F	1339
+CC(C)(C)Nc1cc(nc(Cl)n1)-c2ccccc2	40
+CC(C)(C)Nc1ccccc1	250
+CC(C)(C)NCC(O)COc1ccc2c(C(=O)C=C(c3cc(c(cc3)OCc4ccccc4)OCc5ccccc5)O2)c1	122
+c1cc(ccc1)COc2cc(cc(OCc3ccccc3)c2)C4=CC(c5c(O4)cc(cc5)OCC(O)CNC(C)(C)C)=O	122
+CC(C)(C)NCC(COc1ccc(cc1)C2(C(N(C)c3c(S2)cccc3)=O)C#N)O	122
+CC(C)(C)Nc1ccc(cc1)[N+](=O)[O-]	60
+CC(C)(C)NC(=O)C1(CCC1)c2cc3c(nc(nc3C(N4Cc5ccccc5C4)=O)N)cc2	9
+CC(C)(C)NCCCOc1c(cccc1)C(C)=O	284
+CC(C)(C)NC(=O)c1c(N)c2c(nc(-c3ccccc3)nc2-c4cccc(N)c4)s1	227
+c1ccccc1C(c2ccccc2)N3CCN(CC3)C(C4C(CNC(C)(C)C)C4)=O	110
+CC(C)(C)N(C(=O)C(OCC)=O)CCCCCC=O	24
+CC(C)(C)N(C(=O)C(OCC)=O)CCCCCC#C	1596
+CC(C)(C)N1C(C(=C(S1(=O)=O)c2ccccc2)NCCCOc3cnccc3)=O	458
+CC(C)(C)N1C(C(C(=O)NCC(=O)O)C(=O)N(Cc2c(cccc2)Br)C1=O)=O	3
+CC(C)(C)N1N=CC(=C(CO)C1=O)Cl	7140
+CC(C)(C)N1N=CC(=C(Cl)C1=O)OCc2ccc(cc2)OCC(O)C	7141
+CC(C)(C)N1C(C(=C(S1(=O)=O)c2ccccc2)NCCCOc3ccc[n+]([O-])c3)=O	103
+CC(C)(C)N1C(N(C2CCN(CC2)Cc3cnc(cc3)Oc4ccc(cc4)-c5[nH]nnn5)C(C1)c6ccccc6)=O	424
+CC(C)(C)N1C=C(C(=O)c2cc(I)ccc12)C(NCc3ccc(cc3)Cl)=O	1267
+CC(C)(C)N1CC(C1)Oc2cc(C)nc3c(c(nn23)-c4ccccc4Cl)-c5ccc(cc5)Cl	4055
+CC(C)(C)NCC(COc1ccc(cc1)N)O	7142
+CC(C)(C)N1CC(C1)O	118
+CC(C)(C)N1C(N(C2CCN(CC2)Cc3cnc(cc3)Oc4ccc(cc4)C#N)C(C1)c5ccccc5)=O	619
+CC(C)(C)N1CCC(CC1)NCc2ccccc2	87
+CC(C)(C)N1CCC(CC1)N	273
+CC(C)(C)N1N=CC(Cl)=C(C1=O)CO[Si](C)(C)C(C)(C)C	947
+CC(C)(C)c1ccc(cc1)CSC2=C(CO)C(=O)N(N=C2)C(C)(C)C	2755
+CC(C)(C)N1N=CC(=C(CO[Si](C)(C)C(C)(C)C)C1=O)SCc2ccc(cc2)C(C)(C)C	7143
+CC(C)(C)N1c2ccc(CCCO)cc2C(=O)C(C(NCc3ccc(cc3)Cl)=O)=C1	213
+CC(C)(C)N1C(CC(N(C1=O)Cc2c(Br)cccc2)=O)=O	1984
+FC(F)(F)c1ccc(cc1)C2N(C(=O)NC(C)(C)C)CCc3c2cccc3OC	384
+CC(C)(C)NC(N1CCn2c(c(-c3ccccc3)c(C#N)c2C1)Cl)=O	384
+CC(C)(C)NC(=O)Oc1ccc(cc1)CCOc2ccc(cc2)C=O	1890
+CC(C)(C)NC(=S)N1CCC(CC1)OC(c2ccccc2Cl)c3ccc(cc3)Cl	1383
+CC1(C)C(C)(C)OB(O1)CCCCC(NC(=O)C)(C(NC(C)(C)C)=O)C2CCN(CC2)C(=O)OCc3ccccc3	7144
+CC(C)(C)NC(CN1C(c2cc(ccc2C=C1c3cc(c(F)cc3)OC)O)=O)=O	686
+CC(C)(C)NC(=O)Oc1ccc(cc1)CCOc2ccc(cc2)CC3SC(NC3=O)=O	534
+CC(C)(C)NC(=O)Oc1ccc(cc1)CCOc2ccc(cc2)C=C3C(NC(=O)S3)=O	377
+CC(C)(C)NC(c1sc2c(c1N)c(nc(n2)-c3ccccc3)-c4cc(ccc4)NC(Oc5ccc(cc5)[N+](=O)[O-])=O)=O	90
+CC(C)(C)NC(c1cc(CN2C(C)(C)CN(C(=O)c3ccc(N)c(c3)F)CC2)ccc1)=O	171
+CC(C)(C)NC(c1c(cc(nc1)Cl)-c2ccccc2C)=O	4056
+CC(C)(C)NC(=O)c1ncc(Oc2ccc(Nc3c4n(CCOC(c5ccccc5)=O)ccc4ncn3)cc2Cl)cc1	1190
+CC(C)(C)NC(=O)c1ncc(Oc2ccc(Nc3ncnc4c3n(CCO)cc4)cc2Cl)cc1	682
+CC(C)(C)NC(=O)c1ncc(Oc2ccc(N)cc2Cl)cc1	0
+CC(C)(C)NC(=O)c1ncc(Oc2ccc(cc2Cl)[N+](=O)[O-])cc1	551
+CC(C)(C)NC(=O)c1n2CCNCc2nn1	4057
+CC(C)(C)NC(C1(CCNCC1)C2CCCCC2)=O	62
+CC(C)(C)NC(=O)C1(CCN(CC1)C(C2C(CC(=C)C2)c3ccc(F)cc3F)=O)C4CCCCC4	10
+CC(C)(C)NC(CCC(N1CCC(CC1)N2c3c(cccc3)CCc4ccccc24)=O)=O	10
+CC(C)(C)NC(CN1C(c2c(C)c(C(=O)OC)sc2N=C1)=O)=O	3917
+CC(C)(C)NC(CN1C(=O)C(N)CC(c2ccccc2)c3c1cccc3)=O	1584
+CC(C)(C)NC(=O)CN1C(C(CC(c2c1cccc2)c3ccccc3)NC(=O)Nc4cccc(C)c4)=O	1631
+CC(C)(C)NC(CN1C(=O)C(CC(c2ccccc12)c3ccccc3)N=[N+]=[N-])=O	4058
+CC(C)(C)NC(CN1C(=O)c2c(C)c(C(O)=O)sc2N=C1)=O	1
+CC(C)(C)NC(Cn1cnc(c1CN)C)=O	18
+CC(C)(C)NC(N1Cc2n(CC1)c(Cl)c(-c3ccccc3)c2C(=O)N)=O	745
+CC(C)(C)NC(N1Cc2n(cc(-c3ccccc3)c2C(N)=O)CC1)=O	1866
+CC(C)(C)NC(c1cncc(c1)Oc2c(cc(N)cc2)Cl)=O	0
+CC(C)(C)NC(c1sc2c(c(nc(n2)-c3ccccc3)-c4cc(ccc4)NC(=O)N(C)C)c1N)=O	468
+FC(F)(F)c1cccc(CNC=2C(C(=O)C=2NC(C)(C)C)=O)c1	993
+CC(C)(C)NC1=Nc2c(cccc2-c3cc4C(NC(c4[nH]3)C)=O)C(=O)N1CC	7145
+CC(C)(C)NCC(O)COc1c(C2=NNC(=O)CC2)ccc(c1)C	2756
+CC(C)(C)NCC(O)COc1cc2C(C=C(Oc2cc1)c3cc(c(cc3)O)O)=O	16
+CC(C)(C)NCC(O)COc1c(C=2CCC(=O)NN=2)cc(cc1)OC	2756
+CC(C)(C)NCC(O)COc1ccc(cc1C2=NNC(=O)CC2)NC(C)=O	2756
+CC(C)(C)NCC(COc1ccc2c(c1)C(C=C(c3ccc(c(c3)OCc4ccccc4)O)O2)=O)O	16
+CC(C)(C)NCCCOc1c(C(=O)C=Cc2c3cc[nH]c3ccc2)cccc1	307
+CC(C)(C)n1nc(CCCO)cc1-c2ccc(cc2)Cl	2514
+CC(C)(C)n1nc(cc1-c2ccc(cc2)F)C(OCC)=O	2054
+CC(C)(C)n1nc(-c2ccncc2)c3CC(C(OC)=O)CCc13	7146
+CC(C)(C)NNC(=O)c1ccccc1	1798
+CC(C)(C)N(C(c1ccncc1)=O)NC(=O)c2ccccc2	7147
+c1cc(ccc1CC2=C(CCCC)N=C(N(c3ncc(cn3)OC)C2=O)C)-c4c(cccc4)S(=O)(=O)N	627
+c1cc(ccc1-c2c(cccc2)S(=O)(=O)N)CN3C(=O)N(N=C3CCCC)c4c(Cl)cccc4	627
+c1cc(ccc1-c2c(cccc2)S(=O)(=O)N)CN3C(=O)N(N=C3CCCC)c4c(ccc(C(=O)OC)c4)Cl	627
+O=S(=O)(c1c(C(OC)=O)ccc(CCNC(=O)OC)c1)N	627
+O=S(=O)(c1c(C)nc(NC(C)=O)s1)N	627
+O=S(=O)(N)c1c(OC)cccc1I	627
+CC(C)(C)NS(=O)(=O)c1c(ccc(CC#N)c1)OC	163
+CC(C)(C)NS(=O)(=O)c1c(cc(CC(C)C)s1)-c2cc(ccc2)Cn3nccc3	309
+CC(C)Cc1sc(S(=O)(=O)NC(OCCCC)=O)c(-c2cc(ccc2)Cn3nccc3)c1	7148
+c1cc(ccc1-c2c(S(=O)(=O)N)sc(c2)CCCC)Cn3ccnc3	627
+CC(C)(C)NS(=O)(=O)c1c(cc(CCCC)s1)-c2ccc(cc2)Cn3ccnc3	1384
+O=S(=O)(N)c1cc(ccc1OC)CC#N	627
+CC(C)(C)NS(=O)(=O)c1cc(ccc1S(=O)(=O)CC)NC=O	753
+CC(C)(C)NS(=O)(=O)c1c(ccc(N)c1)S(=O)(=O)CC	0
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)CNCCCC	370
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CN3C(=O)N(N=C3CCCC)c4c(ccc(C(=O)OC)c4)Cl)cccc1	4059
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CN3C(=O)N(N=C3CCCC)c4c(Cl)cccc4)cccc1	7149
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CN3C(CCCC)=NN(c4c(Cl)ccc([N+](=O)[O-])c4)C3=O)cccc1	4059
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)CN(CCCC)C(Cl)=O	2703
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)NCc3cnc(C)c(O)c3CO	7150
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)NCc3c(CO)c(OCc4cc(ccc4)C#N)c(nc3)C	483
+CC(C)(C)NS(=O)(=O)c1cccc2c(NCCCN)nsc12	4060
+CC(C)(C)NS(=O)(=O)c1cccc(c1)-c2ncn(-c3nc(-c4ccc(c(c4)Cl)Cl)cc(C)n3)c2	7151
+CC(C)(C)NS(=O)(=O)c1c(C(OC)=O)ccc(CCN)c1	51
+O=S(=O)(CC)c1ccc(cc1S(=O)(=O)N)NC=O	627
+O=S(=O)(N)c1cc(Br)cn2c1nc(C)c2	627
+O=S(=O)(c1cc(-c2c3cccc(c3c(NCc4ccccn4)nn2)-c5ccccc5)cnc1)N	627
+O=S(=O)(c1cccc(-c2ncn(-c3nc(-c4ccc(c(c4)Cl)Cl)cc(C)n3)c2)c1)N	627
+CC(C)(C)NS(=O)(=O)c1cccc2c(NCCCNC(=O)c3ccc(cc3)I)nsc12	14
+CC(C)(C)NS(=O)(=O)c1cccc2c(nsc12)NCCCNC(c3ccc(cc3)-c4ccc(cc4)OC)=O	134
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)NCc3c4c(OC(C)(C)OC4)c(nc3)C	2116
+CC(C)(C)NS(=O)(=O)c1ccccc1-c2ccc(-c3ncc(nc3)N)c(c2OC)F	11
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CC3=C(CCCC)N=C(N(c4ncc(cn4)OC)C3=O)C)cccc1	11
+O=S(=O)(N)c1c([Se]C)cccc1	627
+CC(C)(C)NS(=O)(=O)c1cn(C)c(c1)C(=O)Nc2cc(c(cc2)F)C#N	2337
+CC(C)(C)NS(=O)(=O)c1c[nH]cc1	4061
+CC(C)(C)Nc1ncc2CCC3N(CC(C(=O)OC)CC3)C(=O)c2c1	174
+CC(C)(C)n1c2c(cc(-c3cnc(nc3)N)cc2)nc1-c4c(ccc(Cl)c4)-n5nc(cc5)C	1301
+CC(C)(C)n1c2c(nc1-c3c(ccc(Cl)c3)-c4nc(C)no4)cc(-c5cnc(nc5)N)cc2	1301
+CC(C)(C)Nc1c(N)cc(cc1)-c2cnc(nc2)N	0
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3cc(ncn3)OC4CCNCC4	2
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3ncnc(OC4CCN(CC4)C(=O)OC(C)(C)C)c3	346
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(Nc3cc(-c4c[nH]nc4C(F)(F)F)ncn3)n1	346
+CC(C)(C)Nc1c(N)ccc(Br)c1	0
+CC(C)(C)Nc1cc(nc(Nc2ccc(cc2)C3(CCC3)c4ncco4)n1)-c5ccccc5	55
+CC(C)(C)n1c2c(nc1-c3c(C#N)cccc3)cc(cc2)Br	1301
+C[Si](C)(C)C#Cc1c(ccc([N+](=O)[O-])c1)NC(C)(C)C	263
+CC(C)(C)Nc1c([N+]([O-])=O)cc(-c2cnc(nc2)N)cc1	1629
+CC(C)(C)N(N=O)c1ccccc1	2708
+CC(C)(C)Nc1c(F)cc(c(N)n1)C#N	4062
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3ncnc(CC)c3	2651
+CC(C)(C)Nc1nc(SC)ncc1C(=O)N	2757
+CC(C)(C)Nc1nc(SC)ncc1C(=O)O	6
+CC(C)(C)Nc1nc(NCc2ccccc2)c(cc1F)C#N	70
+CC(C)(C)Nc1ncc(C#N)c(SC)n1	3635
+CC(C)(C)Nc1nc(S(=O)C)c(C(=O)N)cn1	3634
+CC(C)(C)Nc1cc(nc([n+]1[O-])N)Cl	2758
+CC(C)(C)Nc1nc2c(-c3[nH]c4c(C(NCC4)=O)c3Cl)cccc2nc1C	573
+CC(C)(C)Nc1nc(c(cn1)C(N)=O)SC	2529
+C1(C(OC)=O)CN2C(c3cc(ncc3CCC2CC1)N)=O	2759
+n1c2c(n(c1-c3cccnc3N)-c4cccc(c4F)F)ccnc2	2759
+n1n(c(-c2cccnc2N)nn1)-c3cccc(c3F)F	2759
+CC(C)(C)Nc1ncccc1-c2n(c3ccncc3n2)-c4cccc(F)c4F	7152
+CC(C)(C)OC(=O)N1CC(C(CC1)c2ccc(cc2)F)C(=O)O	1329
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(CC(CO)O)cn2)F)=O	2760
+CC(C)(C)OC(=O)C(NC(OC(C)(C)C)=O)CCC(OCc1ccccc1)=O	2761
+CC(C)(C)OC(Nc1c(NC(OC(C)(C)C)=O)sc(SC)c1C#N)=O	2724
+CC(C)(C)Oc1cccc(c1C(=O)O)Cl	789
+CC(C)(C)c1nc(C(=O)O)c(Cl)c(N)c1F	4063
+CC(C)(C)c1cc(NC(OC(C)(C)C)=O)cc(C#N)c1	7153
+CC(C)(C)OC(=O)Nc1ccc(nc1)C(C)C	1291
+CC(C)c1n(c2c(ccc(C(OCC)=O)c2)c1C(=O)O)Cc3ncco3	2762
+CC1(C)C(N(c2c(cc(cc2)C(=O)O)N(C)C1=O)CC)=O	789
+CC(C)(C)OC(=O)NCCc1ccc2c(c1)N(C)C(C(C)(C)C(=O)N2CC)=O	1590
+CC1(C)CC(CC(C)(C)N1OCC(C)(C)O)=O	7154
+CC(C)(C)OC(NCCc1cc(Cc2cccnc2)cc(c1)CCC(OCC)=O)=O	1590
+FC(F)(F)C1(CCC2(C(=O)O)C(C1)CCCc3c2cc4cnn(c4c3)-c5ccc(cc5)F)O[Si](CC)(CC)CC	1329
+CC(C)(C)OC(=O)Nc1c(N(C)C)ncc([N+](=O)[O-])c1	1291
+CC(C)(C)OC(=O)Nc1c(C)nn(-c2cnccc2)c1	4064
+CC(C)(C)OC(=O)Nc1c(c(cc(C)c1)Br)F	673
+CC(C)(C)OC(=O)Nc1c(-c2ccccc2C)nc(C)s1	7155
+Clc1cccc(c1)C(O)CO	4065
+CC(C)(C)OC(=O)Nc1ccc(nc1)C(F)(F)Cl	1291
+FC(F)(F)c1cc(C(C)(C)C)ccc1O	957
+FC(F)Oc1c(CC(=O)O)c(C)cc(C)c1	1329
+[N+]([O-])(=O)c1ccccc1-c2n(c3c(cccc3)n2)CC(CO)O	2760
+c1c(c(OC)cc2c1N(C(=O)OC2)C)CC(CO)O	2760
+c1cc(ccc1C(CO)O)Cl	4065
+c1cc(ccc1Cn2c3c(ccc(c3)C(CO)O)cn2)OC	7156
+CC(C)(C)OC(=O)Nc1c(c(c(F)cc1)Cl)Cl	673
+CC(C)(C)OC(Nc1c(c2c(OCCO2)cc1)[N+]([O-])=O)=O	673
+COc1c(C(=O)O)c(C)cc(c1)Br	789
+COc1c(c(F)cc(c1)Br)C(=O)O	789
+c1(F)cc(cc([N+]([O-])=O)c1C(=O)O)Br	789
+c1(C(=O)O)cc(C)c(O)c(Cl)c1	789
+O=S(=O)(c1nccc(C(CC(=O)O)NC(=O)c2cncc3c2cnn3-c4ccc(cc4)F)c1)C	1329
+CC(C)(C)OC(=O)Nc1cc2c(nc1)CCCN2S(=O)(=O)c3cc(ccc3)C	1291
+CC(C)(C)OC(Nc1cc2c(cc1)ccc(c2)S(=O)(=O)C)=O	2117
+CC(C)(C)OC(Nc1c(Oc2cccc(C#N)c2)nc(-c3cnccc3)nc1)=O	4066
+CC(C)(C)OC(=O)Nc1c(c(Cl)ncc1)F	7157
+CC(C)(C)OC(=O)Nc1c(c(ccc1)OC)[N+](=O)[O-]	673
+CC(C)(C)OC(=O)Nc1cnc(nc1Oc2c(cccc2)C)SC	4066
+CC(C)(C)OC(=O)Nc1c2CCCC(=O)c2sc1	4067
+CC(C)(C)OC(=O)Nc1cc2c(CC3(c4c(cccc4)NC3=O)C2)cc1	673
+CC(C)(C)OC(Nc1ncc2c(cn(c2c1)CC)Br)=O	7158
+CC(C)(C)OC(=O)Nc1cc2ccc(cc2cc1)Br	673
+CC(C)(C)OC(Nc1cc(Br)cc(n1)C(OC)=O)=O	1673
+c1(cc(cc(Cl)c1Oc2ccc(c(C(O)=O)c2)OC)[N+](=O)[O-])Cl	789
+CC(C)(C)OC(Nc1cc(F)c(c(c1)F)CSc2n(c(cn2)C(C)(C)c3ccc(Cl)c(OC)c3)-c4ccc(cc4)F)=O	673
+CC(C)(C)OC(=O)Nc1ccc2c(c(OC)ccc2Br)n1	7159
+c12c(C)cccc1c(ccc2C(=O)O)OC	789
+c1c(OC)ccc2c1n(Cc3ncccc3)c(C(=O)OC)c2C(=O)O	2762
+CC(C)(C)OC(=O)Nc1nccc2COCc12	1673
+CC(C)(C)OC(=O)Nc1ccc2c(ccc(C#N)c2)c1	2117
+CC(C)(C)OC(Nc1cc2c(ccc(C(C)=O)c2)cc1)=O	2117
+CC(C)(C)OC(Nc1cc(ccc1)CC2CCCC=C2c3oc(c(-c4ccccc4)n3)-c5ccccc5)=O	7160
+CC(C)(C)OC(Nc1nc(cc(Cl)c1)-c2ccccc2)=O	1673
+CC(C)(C)OC(Nc1cc(C=2C=CC(=O)N(C(C)C)N=2)c(nc1)-c3ccccc3)=O	1291
+CC(C)(C)OC(Nc1c(scc1)-c2ccccc2)=O	4067
+CC(C)(C)OC(NCC(c1cc2cc[nH]c2cc1)c3ccccc3)=O	1590
+CC(C)(C)OC(Nc1cc(c2c(cc(C#N)cc2)c1)OCc3ccccc3)=O	2117
+CC(C)(C)OC(Nc1cc(cc(c1)OCc2ccccc2)OCCCCCCCCCCCCCCCCCC)=O	673
+CC(C)(C)OC(=O)Nc1cc(Cl)c(CSc2ncc(n2-c3ccc(cc3)F)C(C)(C)c4ccc(c(OC)c4)Cl)c(F)c1	673
+CC(C)(C)OC(NCCc1cc(cc(c1)CCC(OCC)=O)Cc2ccc(cc2)F)=O	1590
+CC(C)(C)OC(=O)Nc1ncc(C)c(C(S(=O)(=O)c2ccc(cc2)Cl)c3c(F)ccc(F)c3)c1	1673
+CC(C)(C)OC(=O)Nc1cc(c(c(Cl)c1)CCc2n(-c3ccc(cc3)F)c(C(C)(C)c4cc(c(cc4)Cl)OC)cn2)F	673
+CC(C)(C)OC(NC1CC1c2cccc(C(=O)OC)c2)=O	7161
+CC(C)(C)OC(Nc1sc(cc1)C(=O)c2ccccc2)=O	2724
+CC(C)(C)OC(=O)Nc1nccc(c1)Oc2ccc(NC(=O)OCc3ccccc3)cc2F	1673
+CC(C)(C)OC(=O)Nc1c(cc2c(cc(cc2)OCc3ccccc3)c1)OCc4ccccc4	673
+CC(C)(C)OC(=O)Nc1c(nn(-c2cnccc2)c1)Cl	4064
+c1cc(ccc1-c2c(O)cccc2)-c3c(cc4[nH]cc(C(O)=O)c4c3)F	2762
+c1cc(ccc1-c2nnc(-c3ccccc3[N+](=O)[O-])o2)C(=O)O	789
+c1cc(ccc1Cc2c(c(c(Cl)c(C(O)=O)n2)N)F)F	4063
+c1cc(ccc1F)CCCC(=O)O	1329
+c1cc(ccc1Cl)Sc2sc(C(O)=O)cc2	7162
+CC(C)(C)OC(C(c1ccc(cc1)[N+]([O-])=O)C)=O	2761
+CC(C)(C)OC(=O)C1CNC(=O)N1C(=O)OCc2ccccc2	2761
+n1ccc(cc1O)-n2cc(nc2C)C#Cc3cccc(C)c3	7163
+CC(C)(C)OC(=O)C(Br)CCC(=O)OCc1ccccc1	7164
+CC(C)(C)OC(=O)Cc1cc(F)cc(N)c1[N+]([O-])=O	2763
+CC(C)(C)OC(Cc1cc(c(cc1F)C#N)F)=O	2763
+CC(C)(C)C(C(OC(C)(C)C)=O)NCCNCc1ccccc1	42
+CC(C)(C)OC(=O)C(C(C)C)NCc1c(F)cnc2n(cc(C(O)=O)c12)S(=O)(=O)c3ccc(cc3)C	1528
+CC(C)(C)OC(C(N1C(c2c[nH]c3ncc(c(C1)c23)F)=O)C(C)C)=O	392
+CC(C)(C)OC(=O)C(C(C)C)N1C(=O)c2cn(c3ncc(c(C1)c23)F)S(=O)(=O)c4ccc(cc4)C	7165
+CC(C)(C)OC(=O)C(NS(=O)(=O)c1ccc(cc1)Sc2cccc(C)c2)C(C)C	815
+CC(C)(C)OC(C(CCN1C(N(C(=O)C=C1)C)=O)C(CCc2ccc(cc2)I)OCc3ccc(cc3)OC)=O	7166
+CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1c(c(N)cc(F)c1)[N+]([O-])=O	623
+O=S(=O)(C)c1ccc(C(=O)CC(=O)CC)c(Cl)c1	4068
+CC(C)(C)OC(=O)C(C)(C)Oc1c(cccc1)CC(N)=O	517
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)C=O)=O	517
+CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1CCC(=O)NCCOc2ccc(cc2)Cl	517
+CC(C)(C)OC(C(C)(C)Oc1c(ccc(OC)c1)C(c2ccc(cc2)OCc3ccccc3)=O)=O	517
+c1cc(ccc1CC(C)(C)C(=O)O)CN(CC(=O)Nc2c(C)cc(C)cc2)Cc3ccco3	32
+CC(C)(C)OC(=O)C(C)(C)Cc1ccc(cc1)CN(Cc2occc2)CC(O)=O	3
+CC(C)(C)OC(=O)C(C)(C)Cc1ccc(cc1)CN(CC(=O)Nc2c(C)cc(C)cc2)Cc3ccco3	33
+CC(C)(C)OC(=O)C(C)(C)Cc1ccc(cc1)CN(CC(=O)OCC)Cc2ccco2	303
+CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1CCN	15
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(ccc1)CCCO	21
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(CCC(O)=O)ccc1	3
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(ccc1)CCCN2C(=O)c3ccccc3C2=O	896
+CC(C)(C)OC(=O)C(C)(C)Oc1cccc(CCCN)c1	45
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(CCCOS(=O)(=O)C)ccc1	7
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(CCC(OCC)=O)ccc1	159
+CC(C)(C)OC(C(C)(C)Oc1cccc(CCCNc2oc3c(cccc3)n2)c1)=O	1527
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(O)=O	1
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(OCc2nnn(Cc3ccccc3)c2)=O	47
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(=O)OC(C2=NN(C(=O)N2CCC)Cc3ccc(cc3)C)C	47
+c1cc(ccc1SC(C)(C)C(=O)O)C(OCc2nnn(Cc3ccccc3)c2)=O	32
+c1cc(ccc1[N+](=O)[O-])-c2ccc(cc2)OCCc3nc(sc3)SC(C)(C)C(=O)O	32
+CC(C)(C)OC(=O)C(C)(C)Sc1scc(CCNCCCCCCC)n1	15
+CC(C)(C)OC(=O)C(NC(CO)c1ccc(cc1)C#N)C	7167
+CC(C)(C)OC(=O)C(C)NC(CC(O)C(CC(C)C)NC(=O)OCc1ccccc1)=O	188
+Clc1ccc(C#N)c(C2=CC(=O)N(C(C(=O)O)C)C=C2)c1	32
+c1ccccc1COC(=O)NC(C(CC(=O)NC(C(O)=O)C)O)CC(C)C	32
+CC(C)(C)OC(=O)C(C)ON=C(C(O)=O)c1ccc(c(c1)Cl)O	4069
+c1cc(ccc1)CCN2CCC(C(C(=O)O)CNS(=O)(=O)c3ccc(cc3)OC)(CC(C)C)C2=O	32
+C(C)C=CCC=CCC=CCC=CCC=CCCCCOC(C(O)=O)CC	32
+CC(C)(C)OC(NC(CCCSC(C)=O)C(OC(C)(C)C)=O)=O	2495
+CC(C)(C)OC(=O)C(C(CCc1ccc(cc1)I)OCc2ccc(cc2)OC)CCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)C(CCO)C(CCc1ccc(cc1)I)OCc2ccc(cc2)OC	35
+CC(C)(C)OC(=O)C(C1(CCN(C1=O)CCc2ccccc2)CC(C)C)CNS(=O)(=O)c3ccc(cc3)OC	71
+CC(C)(C)OC(C(NC(OCc1ccccc1)=O)CNC(=O)c2ccc(cc2)CCC(=O)OC)=O	14
+CC(C)(C)OC(C(Cc1c[nH]c2c1cccc2)NC(=O)C(C)NC(OCc3ccccc3)=O)=O	188
+CC(C)(C)OC(=O)C(Cc1ccc(cc1)OCCCC(=O)OCC)NC(OCc2ccccc2)=O	8
+c1ccccc1COC(NC(C(=O)O)Cc2ccc(cc2)OCCCC(=O)NC3=NCCN3)=O	32
+CC(C)(C)OC(=O)C(Cc1ccc(cc1)OCCCC(=O)NC2=NCCN2)NC(OCc3ccccc3)=O	7168
+CC(C)(C)OC(=O)C(Cc1oc(C(Nc2ccccc2)=O)cc1)C(O)C	770
+c1ccccc1NC(=O)c2oc(CC(C(O)C)CO)cc2	2764
+CC(C)(C)C(NS(=O)(=O)c1cc2c(c(Cl)cnc2Cl)cc1)C(OC(C)(C)C)=O	592
+CC(C)(C)C(NC(c1ccc(cc1)-c2cnc3n(n2)c(C4(CC4)c5ccc6ncsc6c5)nn3)=O)C(=O)OC(C)(C)C	259
+CC(C)(C)C(NC(c1ccc(cc1)-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)=O)C(=O)OC(C)(C)C	259
+c1cc(ccc1OCC#CC)CC(C(O)=O)N	32
+CC(C)(C)OC(C(NS(=O)(=O)c1ccccc1)Cc2ccc(cc2)OCCCC(O)=O)=O	592
+CC(C)(C)OC(C(N1C(C(O)=O)CCC1)C2C(CC)CCN2)=O	4
+CCOC(C(CSCCCCCCC)NC(C(O)=O)C)=O	32
+CC(C)(C)[Si](C)(C)OCC(NC(C)C(=O)OC(C)(C)C)c1ccc(cc1)C#N	19
+CC(C)(C)OC(NC(CCC(=O)O)C(=O)OC(C)(C)C)=O	210
+c1c(cc2nonc2c1)Oc3ncccc3C(NCc4ccc(cc4F)OC(C(O)=O)C)=O	32
+c1cc(ccc1)COc2cc(CC(=O)OCC)cc(Br)c2	2763
+CC(C(=O)O)c1ccc2N(C(Sc2c1)=O)COC	32
+c1ccccc1-c2ccc3n(n2)c(C(c4ccc5c(c4)cc(OC)cn5)C)nn3	7169
+C1CCC(C1)C(C(=O)O)c2ccc(cc2)CN3C(=O)c4c(cccc4)C3	32
+CC(C)(C)OC(C(c1ccc(cc1)N2C(c3c(C2)ccc(Cl)c3)=O)C)=O	1473
+CC(C)(C)OC(C(c1ccc(cc1)N2C(=O)c3cc(Br)ccc3C2)C)=O	1473
+CC(C)(C)OC(C1(CC1)Cc2cc(NCc3ccccc3)ccc2)=O	250
+CC(C)(C)OC(C1(CC1)Cc2cc(NCc3ccccc3)c(cc2)F)=O	250
+CC(C)(C)OC(C1(CC1)Cc2ccc(c(NC(C(NC(OCc3ccccc3)=O)C(C(F)(F)F)C)=O)c2)F)=O	33
+CC(C)(C)OC(C1(CC1)Cc2ccc(F)c(c2)NC(C(N3Cc4c(cccc4)CC3)C5=CCCC5)=O)=O	7170
+CC(C)(C)OC(=O)C1(CCOCC1)CN2CCC(CC2)C#[N+]CS(=O)(=O)c3ccc(cc3)C	1141
+CC(C)(C)OC(C1(CCOCC1)CN2CCC(CC2)C#N)=O	881
+CC(C)(C)OC(=O)C1C(CN(C1)C(OC(C)(C)C)=O)C=NO	410
+CC(C)(C)OC(=O)C1CN(CC1C(=NO)Cl)C(OC(C)(C)C)=O	1964
+CC(C)(C)OC(C1CC2(CCC1(CC2)CN)CN)=O	51
+CC(C)(C)OC(=O)C1CC2(CCC1(CC2)C(N)=O)CN	83
+CC(C)(C)OC(=O)C1(CC1)Cc2cc(ccc2)Br	7171
+CC(C)(C)OC(=O)C1C2(CCC(CC2)(CN)C1)C#N	143
+CC(C)(C)OC(C1N(C(=O)CNC(=O)OC(C)(C)C)C(c2ccccc2)CC1)=O	478
+CC(C)(C)OC(=O)C1CCN(CC1)c2c(C#N)cc(C(=O)O)c(n2)C	6
+CC(C)(C)OC(=O)C1CCN(CC1)c2c(C#N)cc(C(=O)OCC)c(n2)C	43
+CC(C)(C)OC(C1CN(C(N1C(=O)OCc2ccccc2)=O)CC)=O	7172
+CC(C)(C)OC(N1CC(O)CC1C(=O)OC(C)(C)C)=O	2118
+CC(C)(C)OC(C1CCC(N1C(CNC(Nc2cc(ccc2)C(C)C(O)=O)=O)=O)c3ccccc3)=O	210
+CC(C)(C)OC(C1N(C(=O)OC(C)(C)C)CC(C1)N=[N+]=[N-])=O	298
+CC(C)(C)OC(C1N(C(=O)C2N(C(C(NC(CSCCCCCCC)C(=O)OCC)C)=O)CCC2)CCC1)=O	348
+CC(C)(C)OC(=O)C1C(CCCCN1S(=O)(=O)c2ccc(cc2)OC)CO	21
+c1cc(ccc1OC)S(=O)(=O)N2C(C(COC(C)=O)CCCC2)C(O)=O	32
+CC(C)(C)OC(=O)C=1N2C(=O)C(NC(=O)Cn3c(S(=O)(=O)C)ncc3)C2SCC=1COC(C)=O	207
+O=S(=O)(c1n(CC(=O)NC2C3SCC(COC(C)=O)=C(C(O)=O)N3C2=O)ccn1)C	628
+CC(C)(C)OC(CCN1CCC(CC1)CN(C2C(c3scc(C(=O)Nc4sc(nn4)C)c3)C2)C(=O)C(F)(F)F)=O	3438
+CC(C)(C)OC(CCOCCOCCOCCO)=O	1615
+CC(C)(C)OC(=O)C=Cc1cnc2NC(CN(C)Cc2c1)=O	1953
+CC(C)(C)OC(CCNCCc1cc(F)ccc1)=O	1340
+CC(C)(C)OC(=O)C=Cc1ccc(OCCC)c(-c2nc(c3c(n2)n(nc3C)CCC)O)c1	233
+CC(C)(C)OC(CCOCCc1ccc2c(ccs2)c1)=O	1615
+CC(C)(C)OC(=O)C=Cc1ccc(c(F)c1)C=O	233
+CC(C)(C)OC(=O)C=Cc1ccc(cc1)-c2ccn(CC)n2	233
+CC(C)(C)OC(C=Cc1ccc(cc1)C=O)=O	233
+CC(C)(C)OC(C=Cc1ccc(cc1)Oc2c(sc3cc(ccc23)OC)-c4ccc(cc4)OC)=O	233
+CC(C)(C)OC(=O)C=Cc1c(cccc1)N2CCC3(CCC(CC3)C(=O)N)CC2	327
+C1CC2(CCC(CC2)C(=O)N)CCN1c3ccccc3C=CC(O)=O	628
+CC(C)(C)OC(C=Cc1cn(S(=O)(=O)Cc2ccccc2)cc1)=O	4070
+CC(C)(C)OC(=O)C=Cc1ccn(S(=O)(=O)c2cc(ccc2)Br)c1	917
+CC(C)(C)OC(=O)CCc1cc(Cl)cc(Cl)c1	159
+c12cc(C=CC(=O)O)cnc1NC(=O)C(C2)C(OC)=O	628
+c1(c(cc(cc1)C=CC(O)=O)-c2nc(c3c(n2)n(nc3C)CCC)O)OCCC	628
+O=Cc1ccc(C=CC(=O)O)cc1F	628
+c1cc(ccc1C=CC(=O)c2cc(c(F)cc2)F)C=CC(=O)O	628
+O=S(=O)(n1ccc(C=CC(=O)O)c1)c2cc(ccc2)Br	628
+C(=O)(O)C=Cc1cc2CN(C)CC(=O)Nc2nc1	628
+CC(C)(C)[Si](C)(C)Oc1ccc2c(n(CC(=O)OC(C)(C)C)cc2)c1	256
+CC(C)(C)[Si](C)(C)Oc1ccc2c(nn(CC(=O)OC(C)(C)C)c2c1)I	1458
+CC(C)(C)[Si](C)(C)Oc1cc2n(cc(Cl)c2cc1)CC(=O)OC(C)(C)C	256
+CC(C)(C)OC(COCCN(C)C(=O)C1=C(c2ccc(cc2)C(C)(C)C)N(C)N(C1=O)c3ccc(cc3)C#N)=O	337
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CC(=O)OC(C)(C)C)c2cc3c(cc2)nccc3	4071
+CC(C)(C)OC(CN(Cc1cc(ccc1)-c2noc(-c3cc(c(-c4ccccc4C)cc3)COC)n2)C(C)C)=O	303
+CC(C)(C)OC(=O)Cn1c(ccc1-c2cc3C(C)(C)OC(=O)Nc3cc2)C#N	2318
+CC(C)(C)OC(=O)Cn1c(c(Sc2c(F)c(C(OCC)=O)ccc2)c3ccc(Cl)c(F)c13)Cl	256
+CC(C)(C)OC(Cn1ncc(C(OCC)=O)c1)=O	764
+CC(C)(C)OC(Cn1c2c(c(C3CCCCC3)c1[Si](C)(C)C)cc(cn2)C(=O)OC)=O	7173
+CC(C)(C)OC(=O)COCC1N(S(=O)(=O)c2c(C)cc(cc2C)OC)CCCC1	337
+CC(C)(C)OC(COc1c(cc(cc1)Cl)Br)=O	52
+CC(C)(C)OC(CN1C(=O)C=C(c2cc(ccc2Br)Cl)C3=C1CCC3=O)=O	7174
+CC(C)(C)OC(COc1c(C=O)cc(cc1)Cl)=O	52
+CC(C)(C)OC(CN1C(C=C(c2cc(Cl)ccc2C#N)C(Cl)=C1)=O)=O	7175
+CC(C)(C)OC(COc1cc(C(=O)OC)ccc1Cl)=O	52
+FC(F)(F)C(C=Cc1ccc(cc1)OCC(OC(C)(C)C)=O)=O	52
+FC(F)(F)C(c1cn(c2c1ccc(Br)c2)CC(=O)OC(C)(C)C)=O	256
+FC(F)(F)Oc1ccc(cc1)OCC(=O)OC(C)(C)C	52
+CC(C)(C)OC(=O)COC1CCC(CC1)Nc2cc(c(cc2)[N+]([O-])=O)C(F)(F)F	337
+CC(C)(C)OC(CN1CCN(CC1)C(c2ccccc2)c3cccc(C(F)(F)F)c3)=O	303
+CC(C)(C)OC(=O)CC(Cc1cc(c(N)c(c1)C(F)(F)F)Cl)C(N2C(Cc3ccccc3)COC2=O)=O	7176
+FC(F)(F)c1ccc(cc1)-c2sc(c(C)n2)CCOc3ccc4c(c3)n(CC(OC(C)(C)C)=O)cc4CCC	256
+CC(C)(C)OC(=O)COCc1cc(ccn1)C(F)(F)F	337
+CC(C)(C)OC(Cn1c2ccc(c(Cl)c2cc1C(F)F)C#N)=O	256
+CC(C)(C)OC(=O)Cn1cc(c2cc(NC(=O)C3CCC(F)(F)C3)ccc12)C(=O)C	256
+CC(C)(C)OC(CN1C(=O)N(CC1)c2ccccn2)=O	4072
+CC(C)(C)OC(=O)CN1c2cccc(F)c2NCC1=O	933
+CC(C)(C)OC(=O)CN1C(C(CSC(C1)c2occc2)N3C(=O)c4ccccc4C3=O)=O	584
+CC(C)(C)OC(COc1ccc(C=O)cc1-c2cc(c(cc2)F)S(=O)(=O)C)=O	52
+CC(C)(C)OC(=O)COc1ccccc1CC(c2c3ccccc3n(CCCCC)c2)=O	52
+CC(C)(C)OC(=O)COc1cccc2n(Cc3ccccc3Cl)c4c(c12)c(C(N)=O)ccc4	52
+CC(C)(C)OC(COCCN(C1CC1)S(=O)(=O)c2c(C)cc(cc2C)OC)=O	337
+CC(C)(C)OC(COc1c2c(sc1C(OC)=O)ncc(c2)[N+]([O-])=O)=O	7177
+CC(C)(C)OC(COc1c(C(=O)C)c(O)ccc1)=O	52
+CC(C)(C)OC(COc1cccc([N+](=O)[O-])c1N)=O	52
+CC(C)(C)OC(COc1ccc(cc1Br)C=O)=O	52
+CC(C)(C)OC(COc1cccc(c1)Sc2cc(Nc3scc(n3)C)ncc2)=O	52
+CC(C)(C)OC(COc1c2CCCCC(=O)c2ccc1)=O	52
+CC(C)(C)OC(Cn1c2c(c(C(N)=O)n1)cccc2)=O	1458
+CC(C)(C)OC(COc1cccc(CO)c1C)=O	52
+CC(C)(C)OC(COc1c(Cl)cc(cc1Cl)[N+](=O)[O-])=O	52
+CC(C)(C)OC(=O)CN1C(C=C(C(C(=O)OCC)=C1)Nc2ccc(cc2F)I)=O	7178
+CC(C)(C)OC(=O)COCCCCN(C(C)C)c1nc(-c2ccccc2)c(-c3ccccc3)nc1	337
+CC(C)(C)OC(=O)CN1C(=O)C(N)C(c2ccccc2)Sc3ccccc13	933
+CC(C)(C)OC(COc1ccc(cc1Cl)CCC(OCc2ccccc2)=O)=O	52
+CC(C)(C)OC(CN(CC)CC(OCc1ccccc1)=O)=O	7179
+CC(C)(C)OC(=O)COc1ccc(cc1)-c2ccc(cc2)C#N	52
+CC(C)(C)OC(CN1CCC(CC1)n2c3c(c(N)ncn3)c(n2)-c4ccc(cc4)Oc5ccccc5)=O	303
+CC(C)(C)OC(=O)COc1c(C(=O)OCC)n(c(C(OCC)=O)c1OCc2ccccc2)-c3ccc(cc3)OC	1456
+CC(C)(C)OC(COCc1ccc(cc1)Oc2ccc(cc2)C(=O)OC)=O	337
+CC(C)(C)OC(COCCOc1ccc2c(c1)c(c(c(CC(C)C)n2)C#N)-c3ccc(cc3)C)=O	337
+CC(C)(C)OC(COc1ccc(cc1)C=O)=O	52
+CC(C)(C)OC(=O)CN1c2ccccc2C(=O)N(C1=O)c3ccc(cc3)CC(OCC)=O	4073
+CC(C)(C)OC(=O)Cn1c(Cc2ccc(cc2)F)cc(-c3cn(nn3)Cc4ccc(cc4)OC)n1	764
+CC(C)(C)OC(COc1ccc(cc1)OCCOCCOCCOCCCCCCCCCC=C)=O	52
+CC(C)(C)OC(=O)COc1cccc(C(OC)=O)c1	52
+CC(C)(C)OC(CN1C(=CC=C(NC(=O)OCc2ccccc2)C1=O)C)=O	4074
+CC(C)(C)OC(=O)Cn1c2c(CCN(C(=O)OCc3ccccc3)C2)c4c1cccc4	256
+CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)OCc2ccccc2)=CC=C1C(C)C	4074
+CC(C)(C)OC(COCCOCCOCCOCc1ccccc1)=O	337
+CC(C)(C)OC(=O)CNc1ccc(cc1OCc2ccccc2)I	1230
+CC(C)(C)OC(=O)Cn1c2ccc(OCc3ccccc3)cc2c(c1)C(C)=O	256
+CC(C)(C)OC(CC(=O)CC(O)C=CC(=C(c1ccc(cc1F)C)c2ccc(cc2F)C)c3n(C)nnn3)=O	1536
+CC(C)(C)OC(CC(=O)CC(C=CC(c1nnnn1C)=C(c2ccc(F)cc2C)c3ccc(F)cc3C)O)=O	1536
+c1cc(ccc1)S(=O)(=O)C2CN(C(=O)CC(C)=O)C(C(=O)OC)C2	7180
+CC(C)(C)OC(=O)CC(CC(CCCC)C)O	770
+CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1cc(F)c(C#N)cc1F	1266
+FC(F)(F)c1ccc(NC(=O)OC(C)(C)C)c(NC(CC(c2cccc(-c3cnccc3C)c2)=O)=O)c1	496
+CC(C)(C)OC(=O)Nc1cc(c(C)cc1NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)N(C)C	496
+CC(C)(C)OC(Nc1cc(c(cc1NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)C#N)N(CC)CC)=O	496
+FC(F)(F)c1c(cc(c(NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)c1)NC(=O)OC(C)(C)C)C	496
+FC(F)(F)c1c(cc(c(c1)NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)NC(=O)OC(C)(C)C)N4CCSCC4	496
+CC(C)(C)OC(=O)Nc1cc(NC(C)C)c(cc1NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)Cl	496
+FC(F)(F)c1cc(c(NC(OC(C)(C)C)=O)cc1OCC)NC(=O)CC(c2ccnc(-c3cnccc3)c2)=O	496
+CC(C)(C)OC(Nc1c(NC(=O)CC(=O)c2ccnc(-c3onc(c3)C)c2)cc(Cl)c(c1)N(C)CCOC)=O	496
+CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C(ON=C(N)C(=O)OCC)=O	7181
+CC(C)(C)OC(CC(CCCC1CCCCC1)C(ONC(=N)Cc2ccncc2)=O)=O	4075
+CC(C)(C)OC(CC(CO)Nc1ccc(c(Cl)c1)C#N)=O	21
+CC(C)(C)OC(=O)CC(CO)CC(CCCCC)C	21
+CC(C)(C)OC(CC(c1nc(C(OCC)=O)no1)CCCC2CCCCC2)=O	7182
+CC(C)(C)OC(=O)CC(CCCC1CCCCC1)c2onc(n2)CN(CC(=O)OCC)C	303
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2onc(n2)CN(CC(O)=O)C)=O	3
+CC(C)(C)OC(=O)CC(CNC)Nc1ccc(C#N)c(c1)Cl	1385
+CC(CC(CN)CC(=O)O)CCCCC	32
+CC(C)(C)OC(=O)CC(CN)CC(CCCCC)C	18
+CC(C)(C)OC(=O)CC(Nc1ccc(C#N)c(c1)Cl)CN	18
+CC(C)(C)OC(=O)CC(COS(=O)(=O)c1ccc(cc1)C)CC(C)CCCCC	36
+CC(C)(C)OC(=O)CC(CN=[N+]=[N-])CC(CCCCC)C	254
+CC(C)(C)OC(=O)CC(CN=[N+]=[N-])Nc1cc(Cl)c(cc1)C#N	254
+CC(C)(C)OC(CC(NS(=O)(=O)c1ccc(NC(=O)C)cc1OCCc2cccc3ccccc23)C=O)=O	378
+CC(C)(C)OC(=O)CC(NS(=O)(=O)c1ccc(cc1OCCc2cccc3ccccc23)N)C(N(C)OC)=O	0
+CC(C)(C)OC(=O)CC(NS(=O)(=O)c1c(cc(NC(=O)C)cc1)OCCc2cccc3ccccc23)C(N(C)OC)=O	26
+CC(C)(C)OC(=O)CC(c1ccccc1)Nc2c(N)cccc2	0
+CC(C)(C)OC(CC(Nc1cc(c(C#N)cc1)Cl)CNS(=O)(=O)c2c([N+]([O-])=O)cccc2)=O	71
+CC(C)(C)OC(CC(CNCc1ccccc1)Nc2cc(Cl)c(cc2)C#N)=O	42
+CC(C)(C)OC(CC(c1c(c(-c2cc(CC(C)(C)C)on2)on1)C3CC3)CCCOCc4ccccc4)=O	7183
+FC(F)(F)c1c(cc2N=C(CC(=O)Nc2c1)c3cccc(-c4cc(C)nc(N)n4)c3)C	7184
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(c1)NC(=O)CC(=O)c2cccc(-c3ccc(OC)nn3)c2)N(C)C	496
+CC(C)(C)OC(Nc1cc(c(Cl)cc1NC(=O)CC(=O)c2cc(-n3c(COC4CCCCO4)cnn3)ccc2)N(C)C)=O	496
+CC(C)(C)OC(CC(N)c1cccc(c1)F)=O	1191
+FC(F)(F)c1ccc(NC(=O)OC(C)(C)C)c(NC(CC(c2cc(ccc2)-c3c(cc(nc3)C4CC4)C)=O)=O)c1	496
+CC(C)(C)OC(Nc1cc(c(Cl)cc1NC(CC(=O)c2cccc(c2)-n3cc(cn3)COC4OCCCC4)=O)N(C)C)=O	496
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(CC(=O)c3sc(C#N)cc3)=O)=O	496
+CC(C)(C)OC(CC(c1ccc(cc1)NC(Cc2ccc(c(c2)OC)NC(N3c4ccccc4CC3)=O)=O)C)=O	7185
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(c1)NC(=O)CC(=O)c2cc(ccc2)-c3ccnn3C)N(C)C	496
+CC(C)(C)OC(CC(n1cnc2ccccc12)c3ccccc3)=O	7186
+CC(C)(C)OC(CC(c1onc(COS(=O)(=O)c2ccc(cc2)C)n1)CCCC3CCCCC3)=O	36
+CC(C)(C)OC(=O)CC1(C(OCc2ccccc2)=O)CN(CC1C)C(=O)OCc3ccccc3	283
+CC(C)(C)OC(=O)CC1(C(=O)O)CN(C(=O)OCc2ccccc2)CC1C	66
+c1cc(ccc1)C2OC(=O)CCC=CCC(C(N(C)C2C)=O)CC(O)=O	32
+CC(C)(C)OC(=O)CC1CC(C(c2ccc(cc2)Cl)N(C1=O)C(CC)CCC#N)c3cc(Cl)ccc3	7187
+CC(C)(C)OC(=O)CC1C(N(C(CO)CC)C(C(c2cccc(Cl)c2)C1)c3ccc(cc3)Cl)=O	44
+CC(C)(C)OC(=O)CC1CC(C(N(C(CC)C=O)C1=O)c2ccc(cc2)Cl)c3cc(Cl)ccc3	24
+CC(C)(C)OC(=O)CC1C(=O)N(C(C=CC#N)CC)C(c2ccc(cc2)Cl)C(C1)c3cccc(c3)Cl	7188
+c1cc(ccc1Cl)C2C(c3cc(Cl)ccc3)CC(CC(O)=O)C(=O)N2C(CC)CCC#N	32
+C1CC(CCC1CC(O)=O)C(OCC)=O	32
+c1cc(ccc1-c2c(ccc(c2)F)OC)CC(CC(OCC)=O)NC(=O)CCC(=O)O	32
+CC(C)(C)OC(=O)CCC(=O)NC(Cc1ccc(cc1)-c2c(ccc(F)c2)OC)CC(=O)OCC	11
+CC(C)(C)OC(=O)CCc1nc(c2c(nccc2)n1)O	7189
+CC(C)(C)OC(=O)CCC(C(=O)N1CCN(CC1)C(=O)OCC)NC(c2nc3c(c(C(O)=O)c2)cccc3)=O	1
+CC(C)(C)OC(=O)CCC(C(=O)N1CCN(CC1)C(=O)OCC)NC(c2cc(C(OC)=O)c3c(n2)cccc3)=O	712
+CC(C)(C)OC(=O)CCC(C(=O)OC)NC(=O)C1=NN(C(C1)=O)c2ccccc2	7190
+Clc1ccc(c(Cl)c1)CNC(c2cnc(nc2O)NC(CCC(=O)O)=O)=O	32
+c1cc(ccc1Oc2ccc(c(c2)CC)OC)C(=O)CCC(O)=O	32
+CC(C)(C)OC(CCc1cccc(C#N)n1)=O	1304
+CC(C)(C)OC(=O)CCCOc1c(cc(C#N)cc1Cl)C	8
+CC(C)(C)OC(CCCOc1c(NC(c2ccc(c(Br)c2)Cl)=O)c(C)ccc1)=O	8
+CC(C)(C)OC(=O)CCCCC1=Cc2c(ccc(c2)-c3noc(n3)C4Cc5c(C4)cccc5)C(=O)N1c6ccc(cc6)F	859
+CC(C)(C)OC(=O)CCCCC1=Cc2cc(C#N)ccc2C(=O)N1c3ccc(cc3)F	1308
+CC(C)(C)OC(=O)CCCCC1=Cc2cc(C(=O)O)ccc2C(=O)N1c3ccc(cc3)F	1
+CC(C)(C)OC(=O)CCCCC1=Cc2c(C(=O)N1c3ccc(cc3)F)ccc(C(NO)=N)c2	181
+CC(C)(C)OC(=O)CCCCC1=Cc2cc(CO)ccc2C(=O)N1c3ccc(cc3)F	49
+CC(C)(C)OC(=O)CCCCC1=Cc2c(C(=O)N1c3ccc(cc3)F)ccc(c2)C=NO	135
+CC(C)(C)OC(=O)CCCCC1=Cc2cc(C=O)ccc2C(=O)N1c3ccc(cc3)F	39
+CC(C)(C)OC(CCCCCI)=O	1273
+CC(C)(C)OC(CCCCCC(c1oc(cn1)-c2cc3c(cccc3)nc2OC)NC(=O)OCc4ccccc4)=O	7191
+c1ccccc1-c2c(c3c(cccc3)[nH]2)CCNC(C(CCCCCC(=O)O)NC(=O)c4sccc4)=O	32
+CC(C)(C)OC(=O)CCCCCC(NC(c1cccs1)=O)C(O)=O	4
+CC(C)(C)OC(=O)CCCCCC(C(OC)=O)NC(=O)c1sccc1	2765
+CC(C)(C)OC(=O)CCCCCC(C(NCCc1c(-c2ccccc2)[nH]c3ccccc13)=O)NC(=O)c4sccc4	9
+C(C(NC(=O)CCCCCCCCCCCCCCC(O)=O)CCN=[N+]=[N-])(=O)O	32
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)NC(CCN=[N+]=[N-])C(=O)O	4
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)NC(CCN=[N+]=[N-])C(OC)=O	188
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(NC(C(O)=O)CCN=[N+]=[N-])=O	4
+O=C(C(CCN=[N+]=[N-])NC(=O)CCCCCCCCCCCCCCCCC(O)=O)O	32
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)NC(CCN=[N+]=[N-])C(OC)=O	188
+CC(C)(C)OC(CCCCCCCCCCCCCCCCC(=O)ON1C(CCC1=O)=O)=O	3423
+c1ccccc1OCCCCCC(O)=O	32
+CC(C)(C)OC(CCCCNC(=O)NCCCCC1C2C(CS1)NC(=O)N2)=O	588
+FC(F)(F)c1ccc2c(C(CC(N2)CC)Nc3ncc(cn3)OCCCCC(=O)OC(C)(C)C)c1	96
+c1cc(ccc1F)-c2c(CCCCC(=O)O)nc3cc(C(C4CC4)=O)ccc3n2	32
+CC(C)(C)OC(=O)CCCCc1c(-c2ccc(cc2)F)nc3c(n1)cc(cc3)C(N(OC)C)=O	280
+C1CC(CCC1)CC(=O)Nc2c3c(nc(NCCCC(=O)O)cc3)ccc2Cl	32
+C1CCC(C1)c2nc(cc(c2)-c3onc(n3)-c4cc(c(c(Cl)c4)OCCCC(O)=O)C)OC	32
+CC(C)(C)OC(=O)CCCOc1c(cc(cc1Cl)C(=N)NO)C	181
+CC(C)(C)OC(=O)CCCOc1cnc(nc1)NCc2cc(ccc2-c3cc(C(C)C)ccc3OC)C(F)(F)F	96
+CC(C)(C)OC(=O)CCNCc1cc2c(cc1)nc(-c3cc(c(-c4ccccc4)cc3)C(F)(F)F)s2	370
+CC(C)(C)OC(CCNS(=O)(=O)c1cc2c(ncc(Cl)c2cc1)Cl)=O	71
+CC(C)(C)OC(CCNS(=O)(=O)c1cccc(C(=O)OC)c1)=O	71
+CC(C)(C)OC(=O)CCN1CCSC(c2ccc(cc2)I)C1	2766
+CC(C)(C)OC(CCN1CC(SCC1)c2ccc(cc2)Oc3ccccc3Cl)=O	754
+FC(F)(F)c1cc(ccc1-c2ccccc2)-c3sc4cc(CNCCC(=O)O)ccc4n3	32
+C1CC2(CCN1C(=O)c3cc(ccc3)S(=O)(=O)NCCC(O)=O)CNC(=NC(c4nc(c(nc4N)N)Cl)=O)N2	32
+C1CC2(CCN1CCc3cccc(c3)CCOCCC(O)=O)CN(C(=O)c4nc(C(C)C)sc4)CCO2	32
+Clc1ccc(c(C(Nc2nn(cc2)-c3ccc(c(C)c3)C)=O)c1)NC(=O)c4cccc(CSCCC(=O)O)c4	32
+CC(C)(C)OC(=O)CCc1cc(cc(CC(NC(OCc2ccccc2)=O)C)c1)Cc3cnccc3	7192
+CC(C)(C)OC(=O)CCc1cc(CC(C(O)=O)C)cc(c1)Cc2cnccc2	4
+CC(C)(C)OC(CCc1cc(Cl)c(c(Cl)c1)C=O)=O	151
+C1(c2nc(ccc2)CCC(=O)O)=NC(c3ccc(C)cc3S1)=O	32
+CC(C)(C)OC(=O)CCC=1[N+](=O)C(=C=[N-])C=CC=1	1649
+CC(C)(C)OC(CCc1ccnc(C=2Sc3ccccc3C(=O)N=2)c1)=O	2767
+CC(C)(C)OC(CCc1ccnc(C2=NC(c3ccc(cc3S2)F)=O)c1)=O	7193
+c1(c2cccnc2nc(n1)CCC(=O)O)O	32
+CC(C)(C)OC(=O)CCc1cccc[n+]1[O-]	103
+CC(C)(C)OC(=O)CNc1c([N+](=O)[O-])cc(NC(=O)OC(C)(C)C)cc1	945
+CC(C)(C)[Si](C)(C)OCCOCCC(C)(C)CC=NCC(=O)OC(C)(C)C	2768
+CC(C)(C)OC(=O)CN=CCC(C)(C)CCN=[N+]=[N-]	2768
+CC(C)(C)OC(=O)CN=CCC(C)(C)c1ccc(o1)C	2768
+CC(C)(C)OC(CNC(C=1C(=O)C(C)(C)c2c(ccc(c2F)O)C=1O)=O)=O	3948
+CC(C)(C)OC(=O)CNC(=O)c1ccc(cc1)OCc2ccccc2	259
+CC(C)(C)OC(=O)CNC(c1cc(Cl)c(cc1)NC(=O)OCc2ccccc2)=O	259
+CC(C)(C)OC(=O)CNC(=O)c1ncc(cc1OCc2ccccc2)OCc3ccccc3	1008
+C1CC1N(C(C(C)CSC(C)=O)=O)CC(=O)O	32
+C1CCCC1N(C(=O)c2cccc(c2SC(C)=O)C)CC(O)=O	32
+CC(C)(C)OC(=O)CN(CCN1c2ccc(cc2SCC1)N)C	0
+CC(C)(C)OC(=O)CN(CCN1c2ccc(cc2SCC1)NC(=N)c3sccc3)C	1139
+CC(C)(C)OC(=O)CN1C(C(N)=CC=C1C(C)C)=O	1849
+CC(C)(C)OC(CN1C(=O)C(CSC(c2ccco2)C1)N)=O	1955
+c1cc(ccc1-c2ccccc2C#N)CC3=C(n4ncnc4N(C3=O)CC(O)=O)CCC	32
+CC(C)(C)OC(=O)CN1C(C(NS(=O)(=O)c2cccc(c2)C)=CC=C1C(C)C)=O	7194
+O=S(=O)(c1cccc(c1)C)NC2=CC=C(N(C2=O)CC(O)=O)C(C)C	32
+CC(C)(C)OC(=O)CN1C(C=C(C(C(=O)O)=C1)Nc2ccc(cc2F)I)=O	108
+c1cc(ccc1)CCC(NC2CSC(CN(CC(O)=O)C2=O)c3ccco3)C(=O)OCC	32
+c1cc(ccc1OC)S(=O)(=O)N2CCN(CC2)CC(O)=O	32
+CC(C)(C)OC(=O)CN1c2ccccc2C(=O)N(c3ccc(cc3)CC(=O)NCCc4ccccc4)C1=O	9
+CC(C)(C)OC(=O)CN1c2ccccc2C(=O)N(C1=O)c3ccc(cc3)CC(=O)O	3
+c1cc(ccc1N2C(=O)N(c3ccccc3C2=O)CC(=O)O)CC(=O)NCCc4ccccc4	32
+C1CC2(CCO1)c3ccccc3C(=C(C2=O)C(NCC(=O)O)=O)O	32
+CC(C)(C)OC(CNC(=O)c1ccc(cc1)OCCc2c(F)cccc2)=O	126
+CC(C)(C)OC(=O)CNC(=O)c1ccc(cc1)O	16
+CC(C)(C)OC(=O)CNC(c1c(cc(cn1)O)O)=O	321
+CC(C)(C)OC(=O)CNC(=O)c1ncc(OCc2ccccc2)cc1O	321
+CC(C)(C)OC(CNc1ncc(s1)C=O)=O	7195
+c1(cc(cnc1C(NCC(=O)O)=O)O)O	32
+CC(C)(C)OC(=O)Nc1cc(c(cc1)NCC(OC(C)(C)C)=O)N	0
+c1(C(C)O)cccc(NC)n1	7196
+FC(F)(F)c1c(ccc(c1)NC2CCC(CC2)OCC(=O)O)[N+]([O-])=O	32
+O=S(=O)(c1c(C)cc(cc1C)OC)N2CCCCC2COCC(O)=O	32
+CC(C)(C)OC(=O)COCCCCN(c1nc(c(-c2ccc(cc2)C)cn1)-c3ccc(cc3)C)C	7197
+c1cc(ccc1)-c2c(-c3ccccc3)nc(N(CCCCOCC(O)=O)C(C)C)cn2	32
+CC(C)(C)OC(=O)COCCOCCN	2769
+FC(F)(F)c1ccnc(c1)COCC(=O)O	32
+c1ccccc1COc2c(OCC(O)=O)c(n(-c3ccc(cc3)OC)c2C(=O)OCC)C(=O)OCC	32
+CC(C)(C)OC(=O)COc1c(c(ccc1)C(C)O)C	7198
+c1cc2n(CCCCC)cc(C(=O)c3cccc4ccccc34)c2cc1OCC(=O)O	32
+CC(C)(C)OC(=O)COc1ccc(C(NO)=N)cc1F	181
+CC(C)(C)OC(COc1ccc(cc1F)-c2nc(-c3cc(c(-c4ccccc4C)cc3)COC)on2)=O	529
+c1cc(ccc1OCC(O)=O)-c2c(c(CN3C(=O)CCC3=O)nc4c2c5CCS(=O)Cc5s4)Cl	32
+CC(C)(C)OC(=O)COc1ccc(cc1)-c2c(c(CN3C(=O)CCC3=O)nc4c2c5CCS(=O)Cc5s4)Cl	441
+c1cc(ccc1-c2ccc(cc2)OCC(=O)O)C#N	32
+CC(C)(C)OC(COc1ccc(Cl)cc1C#C)=O	75
+c1ccc(OCC(=O)O)cc1C(=O)OC	32
+c1cc(c2c3c(n(Cc4c(cccc4)Cl)c2c1)cccc3OCC(O)=O)C(=O)N	32
+CC(C)(C)OC(=O)C=Cc1cc(c(cc1)O[Si](C)(C)C(C)(C)C)C2CCCC2	1097
+CC(C)(C)OC(Cc1c(F)cc(cc1F)OCCC2C(C3CCN(CC3)c4ncc(cn4)OCC)C2)=O	2024
+CC(C)(C)OC(=O)Cc1cnc(c(c1)F)Cl	4076
+CC(C)(C)OC(Cc1cnc(Cl)c(C)c1)=O	4076
+CC(C)(C)OC(Cc1ccc(OCc2ccccc2)cc1C#N)=O	2024
+CC(C)(C)OC(=O)Cc1c(cc(OCCC2C(C3CCN(CC3)c4ncc(cn4)COC)C2)cc1)Cl	2024
+c1nc(ncc1COC)N2CCC(CC2)C3C(CCOc4cc(c(cc4)CC(O)=O)Cl)C3	32
+c1cc(nc2c1ccc(c2CC(=O)OCC)Cl)C	7199
+CC(C)(C)OC(Cc1ccc(c(CN)c1)Oc2ccc(cc2)C(=O)OC)=O	107
+C(c1cc(F)c(-c2cc(F)ncc2)nc1)C(=O)O	32
+Nc1c([N+]([O-])=O)c(cc(F)c1)CC(=O)O	32
+CC(C)(C)OC(=O)Cc1cc(C#N)c(Oc2ccc(cc2)C(=O)OC)cc1	46
+c1cc(ccc1Oc2c(cc(cc2)CC(O)=O)CNS(=O)(=O)C)C(Nc3ccc(c(Cl)c3)Cl)=O	32
+CC(C)(C)OC(=O)Cc1cc(F)c(-c2ccnc(F)c2)nc1	1299
+CC(C)(C)OC(=O)Nc1cc2nc(n(CC(=O)O)c2cc1)CCC	32
+CC(C)(C)OC(Cn1c(CCC)nc2c1ccc(N)c2)=O	78
+c1cc(ccc1OC)Cn2cc(-c3nn(CC(=O)O)c(c3)Cc4ccc(cc4)F)nn2	32
+C(O)(Cn1c(Cl)c(c2ccc(Cl)c(F)c12)Sc3cccc(c3F)C(OCC)=O)=O	32
+CC1(C)OC(=O)Nc2c1cc(-c3n(c(cc3)C#N)CC(O)=O)cc2	32
+CC(C)(C)OC(=O)Cn1c2c(cccc2)c3CCNCc13	62
+C(Cn1c2ccc(cc2c(C(=O)C)c1)C(=O)OC)(=O)O	32
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(COc3cc4c(c(Cl)cn4CC(=O)OC(C)(C)C)cc3)s2	2119
+CC(C)(C)OC(Cn1c2c(c3ccccc13)CCN(C(=O)Nc4cc(ccc4)C)C2)=O	326
+CC(C)(C)OC(Cn1cc(c2cc(ccc12)O)C(=O)C)=O	16
+CC(C)(C)OC(=O)Cn1cc(CC#N)c2c(cccc12)N	0
+n1(c2cnccc2c(n1)C(=O)N)CC(=O)O	32
+CC(C)(C)OC(Cn1c2c(c(c(cc2)Cl)N)c(CC#N)c1)=O	196
+c1cc(ccc1)-c2nc(COc3cc4c(ccn4CC(=O)O)cc3)c(C)s2	32
+FC(F)(F)c1ccc(c(c1F)F)-c2sc(COc3ccc4ccn(CC(OC(C)(C)C)=O)c4c3)c(C)n2	2119
+CC(C)(C)OC(=O)Cn1ccc2ccc(OCc3nc(-c4ccccc4)sc3C)cc12	3947
+c1ccccc1-c2c3c(C(N(c4ccc(cc4)Cl)C(=N3)c5ccc(cc5)C(C)C)=O)n(CC(=O)O)n2	32
+n1(c2ccc(cc2c(n1)C(=O)N)Nc3nnccc3)CC(=O)O	32
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)CCCc1cc2c(cc1)OC(CC)C2	2676
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)Cc1c(cccc1)O	16
+C1COCCC1C(NC(C(NC)C)=O)C(=O)N2C(C(=O)Nc3c(cccc3F)C)Cc4cccnc24	255
+CC(C)(C)OC(=O)N(C(C(=O)NC(C(=O)N1C(C(=O)Nc2c(cccc2F)C)Cc3cccnc13)C4CCOCC4)C)C	33
+CC(C)(C)OC(=O)N(C(C(=O)NC(C(N1C(Cc2c1nccc2)C(=O)O)=O)C3CCOCC3)C)C	3
+c1ccccc1CC(C(C)NC(C(NC)CC(C)C)=O)=O	255
+CC(C)(C)OC(=O)N(C(C(NC(C(Cc1ccccc1)=O)C)=O)CC(C)C)C	612
+CC(C)(C)OC(=O)N(C(C)C(NC(C(=O)N1CCC2N(CC(C(=O)OC)C12)S(=O)(=O)C)C3CCCCC3)=O)C	112
+CC(C)(C)OC(N(Cc1cc(ccc1)N)C(C)C(F)c2ccccc2)=O	0
+CC(C)(C)OC(=O)N(C(C)C(=O)NC(C1CCCCC1)C(=O)N2CCC3NCC(C(=O)OC)C23)C	62
+CC(C)(C)OC(=O)N(C(C)C(NC(C(N1C2C(CN(C2CC1)S(=O)(=O)C)C(O)=O)=O)C3CCCCC3)=O)C	4
+CC(C)(C)OC(=O)N(C(C)C)C1CCNCC1	25
+CC(C)(C)OC(=O)N(Cc1ccc(cc1)C(=O)O)C(C)C	1
+CC(C)Nc1sc(-c2cn3c(c(c2)-c4ccccc4)nc(CO)c3)cn1	2770
+CC(C)(C)OC(=O)N(C(C)C)c1ncc(-c2cc(c3n(c2)cc(CO)n3)-c4ccccc4)s1	874
+CC(C)(C)OC(=O)N(C(C)C)c1ncc(-c2cn3c(c(-c4ccccc4)c2)nc(C(=O)O)c3)s1	6
+CC(C)Nc1sc(-c2cn3cc(nc3c(c2)-c4ccccc4)C(=O)OCC)cn1	2770
+CC(C)(C)OC(=O)N(C(C)C)c1ncc(s1)-c2cc(c3nc(C(NC)=O)cn3c2)-c4ccccc4	312
+CC(C)Nc1sc(-c2cn3c(nc(C(NC)=O)c3)c(-c4ccccc4)c2)cn1	2770
+CC(C)(C)OC(=O)N(CCOc1c(cccc1)OCC)C(C)Cc2cc(c3NCCc3c2)C#N	621
+CC(C)(C)OC(=O)N(C)C(CCC#N)c1ccc(cc1)OCc2ccccc2	2771
+CC(C)(C)OC(N(C(CCN1c2c(N(c3c(F)cccc3)S1(=O)=O)cccc2)c4ccccc4)C)=O	1909
+CC(C)(C)OC(=O)N(CC(=O)N(C)OC)C(C=C)COC	1541
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C(CCCO)(C)C(OC1CCCC1)=O	35
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)Cc1c(cc(cc1OC)C(=NO)N)OC	253
+C1Oc2c(c(N)ccc2C3C1OCC3)C(=O)OC	7200
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2nn(CCC)c(c2c3ccccc3n1)CCCCOC(C)=O	2120
+c1c2c(cc(c1COc3cc(Cl)c(F)cc3)Cl)c(N)no2	7201
+C(CCCc1n(nc2c1c3ccccc3nc2N)CCC)O	7202
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2nn(CCC)c(CCCC=O)c2c3ccccc3n1	24
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2nn(CCC)c(c2c3ccccc3n1)CCCCO	59
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1ncc(cc1)C=CC(=O)O	108
+n1c(ccc(C=CC(NCCCCc2ccc(C(NC)=O)c(NCC)n2)=O)c1)N	7203
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2cc(Cl)c(cc2on1)COc3cc(c(cc3)F)Cl	22
+c1(C)cc(C=CCC(C)NC)cnc1N	2
+CC(C)(C)OC(N(C(Cc1ccccc1)CCN)C)=O	51
+CC(C)(C)OC(=O)N(C)C(C)CC=Cc1cc(cnc1)OC(C)C	1514
+CC(C)(C)OC(=O)N(C)C(C)CC=Cc1cnc(c(C)c1)N	1514
+CC(C)(C)OC(N(C(C)CC=Cc1ccc2OCOc2c1)C)=O	858
+CC(C)(C)OC(=O)N(C(CCO)c1ccc(cc1)OCc2ccccc2)C	665
+CNC(CNC(=O)c1cc(ccc1)C(OCCNC(=O)OC)c2cccc(c2)Cl)CC3COCCC3	2
+CC(C)(C)OC(N(C)C(CNS(=O)(=O)C)Cc1ccccc1)=O	111
+CC(C)(C)OC(N(C(c1ccc(cc1)OCc2ccccc2)CC(OCC)=O)C)=O	22
+c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC	2
+C1CC(CCN1c2ccc(C#N)cn2)C(=O)N3CC(c4ccc(cc4)Cl)C(NC)C3	2
+C1CC(CCC1N(c2c(C)c(C(NCc3c(C)n(nc3OC)C)=O)cc(Cl)c2)CC)NC	2
+CC(C)(C)OC(N(C)C1CCC(CC1)OC(C(c2cccs2)(c3cccs3)O)=O)=O	2630
+CC(C)(C)OC(N(C1CCN(CC1)c2nnc(c(c2C)C)Cl)C)=O	212
+C1N(CC1NC)c2c3nnnn3c(cn2)-c4cccs4	2
+CC(C)(C)OC(=O)N(C)C1CN(C1)c2c3n(c(cn2)-c4cccs4)nnn3	7204
+CC(C)OC(c1c(N2CCC(NC)C2)nccc1)=O	2
+CC(C)(C)[Si](C)(C)OCC1OC2SC(=NC2C(O)C1O)N(C)C(=O)OC(C)(C)C	19
+CC(C)(C)OC(N(CC(=O)N1C(CC(C1)N=[N+]=[N-])C(=O)OC)C)=O	298
+CC(C)(C)OC(=O)N(CC(N(c1cccc(Cl)c1)CCCNC(OC)=O)=O)C	429
+CC(C)(C)OC(N(C)CCCC#Cc1c(N)ccc(c1)C(=O)Nc2ccc(c(c2)OC)OC)=O	121
+CC(C)(C)OC(=O)N(C)CCCCN(Cc1c(C)cc(cn1)C)Cc2nccc3c2cccc3	315
+C(COC)CCN(CCNC)c1c(-c2cccc(c2)CC)c(Cl)ccc1	2
+CC(C)(C)OC(N(CCN(C)Cc1c2cc(ccc2n(C3OCCCC3)n1)Oc4ccc(cc4)[N+](=O)[O-])C)=O	315
+CC(C)(C)OC(N(CCN(Cc1c(nn(C2OCCCC2)c1)-c3ccc(cc3)[N+](=O)[O-])C)C)=O	678
+CC(C)(C)OC(=O)N(CCN(Cc1nn(c2ccc(I)cc12)C3OCCCC3)C)C	315
+CC(C)(C)OC(N(CCN(CC1=Nc2ccc(cc2C(N1c3ccccc3)=O)[N+](=O)[O-])C)C)=O	4077
+CC(C)(C)OC(N(CCOCCNc1c(cnc2ccccc12)[N+](=O)[O-])C)=O	105
+CC(C)(C)OC(N(Cc1c(cccc1Br)N)C)=O	0
+CC(C)(C)c1onc(NC(n2c3c(cc2C)c(c(cc3)Oc4cc(CNC)ncn4)F)=O)c1	2
+CC(C)(C)OC(=O)N(C)Cc1cc(Oc2c(c3c(n(c(c3)C)C(Nc4cc(on4)C(C)(C)C)=O)cc2)F)ncn1	2121
+C1CN(CCO1)c2nc(-c3cc(ccc3)O)nc4c2sc(CNC)c4	2
+CC(C)(C)OC(=O)N(C)Cc1cc(F)c(C=NO)cc1	135
+CC(C)(C)OC(=O)N(C)Cc1ccc(c(F)c1)C=O	39
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)N	0
+CC(C)(C)OC(N(Cc1cccc(CCN)c1)C)=O	51
+CC(C)(C)OC(=O)N(C)Cc1cc2c(c(nc(n2)-c3cc(ccc3)O)N4CCOCC4)s1	2099
+FC(F)(F)c1cn2c(n1)c(ccc2)NC	7205
+CC(C)(C)OC(=O)N(C)c1cccn2c1nc(C(F)(F)F)c2Cl	2772
+CC(C)(C)OC(N(c1cc(Nc2nc(ncc2F)Nc3ccc(cc3)OCCOCOCCOC)ccc1)C)=O	55
+CC(C)(C)OC(N(c1ncnc(c1)NN)C)=O	1021
+CC(C)(C)OC(=O)N(C)c1cc(Nc2nc(ncc2F)Cl)ccc1	73
+CC(C)(C)OC(=O)N(C)c1cc(-n2c(N)c(cn2)C(=O)O)ncn1	6
+CC(C)(C)OC(=O)N(C1(CCC(CC1)Oc2ncnc3sc4CCC(CC(=O)N)c4c23)C)C	527
+C1CC(CCC1(C)NC)Oc2ncnc3sc4CCC(CC(=O)N)c4c23	2
+c1ccccc1CN2CC(NCc3c(F)cc(cc3)F)CC2C(=O)N4CCC(CC4)c5ccccc5	2
+C1C(CCCC1c2c3cc(NC(c4sccc4)=N)ccc3[nH]c2)NCC	2
+CC(C)(C)OC(=O)N(C1CC(CCC1)c2c[nH]c3ccc(NC(=N)c4sccc4)cc23)CC	1139
+CC(C)(C)OC(=O)N(C1CC(c2c3c(ccc(c3)N)[nH]c2)CCC1)CC	0
+CC(C)(C)OC(=O)N(C1CCC(=CC1)c2c[nH]c3ccc(cc23)N)C	0
+CC(C)(C)OC(=O)N(C1CCC(c2c3c(ccc(c3)NC(=N)c4sccc4)[nH]c2)=CC1)C	1139
+CC(C)(C)OC(N(Cc1ccc(cc1)-c2ccccc2)C3CC(C(=O)N(OC)C)CC3)=O	164
+C1CC(CCC1C#CCO)NC	2
+N(c1cc2c(C=3CCC(CC=3)NC)c[nH]c2cc1)C(c4sccc4)=N	2
+CN(C)C1CCC(=CC1)c2c3ncccc3[nH]c2	352
+C1CN(CCC1C(CCN2CCC(CC2)NCC3CC3)c4cc(F)cc(c4)F)S(=O)(=O)C	2
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2C(C=Cc3c2cccc3N)=O)Cc4cc5OCCOc5cc4	0
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2C(C=Cc3c2cccc3NC)=O)Cc4cc5OCCOc5cc4	7206
+C1N(CC1NC)c2c3nncn3c4c(n2)ncc(N)c4	2
+CC(C)(C)OC(=O)N(C1CN(C1)c2c3nncn3c4c(n2)ncc(N)c4)C	13
+CC(C)(C)OC(N(C1CN(C1)c2nc3ncc(cc3nc2NN)[N+](=O)[O-])C)=O	1386
+c1cc(ccc1[N+]([O-])=O)N2CC(CC2)NC	2
+CC(C)(C)OC(=O)N(C1CN(C1)c2c3n(ccn2)nnn3)C	2072
+CC(C)(C)OC(N(CC#C)CCNC(C)C)=O	285
+CC(C)(C)OC(N(CC=O)C(COC)C=C)=O	378
+CC(C)(C)OC(N(CCCc1ccc2cccnc2n1)CC(=O)OCC)=O	4078
+CC(C)(C)OC(N(CC(C(O)C1CCCCC1)N)C)=O	45
+CC(C)(C)OC(N(C)CC(CN(C(=O)OC(C)(C)C)C)O)=O	35
+Clc1cccc(c1)N(C(=O)CNC)CCCNC(OC)=O	255
+CC(C)(C)OC(=O)NC1CC(N(C(CN(C)C(=O)OC(C)(C)C)=O)C1)C(=O)OC	37
+C(=CCCC(=O)NCCNC(CNC)=O)CC=CCC=CCC=CCC=CCC=CCC	255
+CC(C)(C)OC(N(CC(NCC)=O)CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F)=O	9
+CC(C)(C)OC(N(Cc1ccccc1)CC(=O)Nc2ccc(cc2)-c3nc(sc3)N(C)C)=O	33
+CC(C)(C)OC(N(CCc1ccc(cc1)-c2ccc(c(CC(C)C)c2)C(OC)=O)CC(O)c3cccnc3)=O	11
+CC(C)(C)OC(N(c1nc(ccc1)CO)CC(OC(C)(C)C)=O)=O	194
+CC(C)(C)OC(=O)N(CC(O[Si](C)(C)C(C)(C)C)c1cnc(-n2c(ccc2C)C)cc1)CC3CCc4c(ccc(I)c4)O3	19
+CC(C)(C)OC(=O)N(CC(O)c1cnccc1)CCCc2ccc(cc2)-c3cc(c(cc3)C(=O)OC)OCC(C)C	11
+CC(C)(C)OC(N(CC1(c2ccccc2)CC1C=O)C)=O	24
+CC(C)(C)OC(=O)N(C1CCNCC1)CC2CC2	62
+CC(C)(C)OC(=O)N(c1n2ncc(Br)c2nc(Oc3ccccc3)c1)CC4CCOCC4	7207
+CC(C)(C)OC(=O)N(CCN1C(C(C(NC)=O)CC1)c2cc(nc(n2)-n3ccnc3)C)Cc4ccc5OCOc5c4	61
+CC(C)(C)OC(=O)N(Cc1ccc(c(c1)F)-c2cccc(C#N)c2)CCC(C)C	11
+CC(C)(C)OC(N(C)CCC1CCC(CC1)C(=O)O)=O	2773
+CC(C)(C)OC(=O)N(CCC1CCC(CC1)CO)C	59
+CC(C)(C)OC(N(CCCC(N1CCN(CC1)c2cc(nc(n2)C(C)(C)C)C3CCC3)=O)C)=O	10
+CC(C)(C)OC(=O)N(CCCCC(=O)O)c1ncccc1	4
+CC(C)(C)OC(=O)N(CCN1CCN(CC1)CCSc2oc3c(C(F)(F)F)cccc3n2)CCCCCCC	7208
+CCCN(CCC)CCCCNCc1ccc(cc1)CN(Cc2ncc[nH]2)Cc3nccn3C	2
+CC(C)(C)OC(=O)N(C)CCCCNCc1c(C)cc(C)cn1	294
+CC(C)(C)OC(=O)N(CC(O)=O)CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F	3
+n1c(NCCCNC)c(cnc1Cl)Br	2
+N(C)CCCc1cc2c(ccc(C(=O)Nc3ccc(OC)c(c3)OC)c2)[nH]1	2
+CC(C)(C)OC(=O)N1CCC(CC1)(C#N)c2ncccc2Br	7209
+CC(C)(C)OC(N(CCN(C)Cc1c2c(ccc(Oc3cc(Cl)ccc3)c2)n(C4OCCCC4)n1)C)=O	754
+CC(C)(C)OC(=O)N(CCN(c1cc2c(C(=O)N(CC(=O)O)C2=O)cc1)S(=O)(=O)C)CCOC	210
+C(NCCN1CCC(C(NC)=O)C1c2cc(nc(n2)-n3ccnc3)C)c4ccc5OCOc5c4	2
+C1CCCC1Oc2c(cc3c(N(CCNCc4ccccc4)C5=NC(=NC(C5=N3)=O)O)c2)C	2
+CC(C)(C)OC(=O)N1CC(OCC1)c2ccc(Br)c(c2)F	2774
+CC(C)(C)OC(N(Cc1c(cccc1)F)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N(CCOCCn1c(nc2c1c3ccccc3nc2N)CCOC)C	445
+CC(C)(C)OC(=O)N(CCOCCn1c2c3c(cccc3)[n+]([O-])cc2nc1CCOC)C	359
+CC(C)(C)OC(=O)N(CCOCCn1c(nc2c1c3ccccc3[n+]([O-])c2N)CCOC)C	574
+CC(C)(C)OC(=O)N(C(C)Cc1cc2CCN(CC(OCC)=O)c2c(C#N)c1)CCOc3c(cccc3)OCC	2319
+CC(C)(C)OC(=O)N(CCOc1ccc(cc1)N=C=S)CC	1034
+CC(C)(C)OC(=O)N(CCOc1ccc(cc1)N)CC	0
+N1(CCNCC1=O)CCc2ccc3c(c2)COC3=O	7210
+CC(C)(C)OC(=O)N(Cc1ccc(cc1)F)CCc2c(cc(cc2)N)Cl	0
+CC(C)(C)OC(N(CCc1ccc(cc1)-c2cc(NC(C)C)c(cc2)C(=O)OC)Cc3ccccc3)=O	11
+CC(C)(C)OC(N(Cc1ccccc1)CCc2ccc(cc2)Oc3ccc(cc3)[N+]([O-])=O)=O	46
+CC(C)(C)OC(=O)N(CCc1ccc(cc1)N)Cc2ccccc2	0
+CC(C)(C)OC(=O)N(CCc1ccc2c(COC2=O)c1)CC=O	2775
+CC(C)(C)OC(=O)N(CCc1cc2COC(=O)c2cc1)CCNCC(OCC)=O	1315
+CC(C)(C)OC(=O)N(CCc1ccccc1Cl)CCCSCCNCC(c2ccc(c3NC(Sc23)=O)O)O	110
+CC(C)(C)OC(=O)N(CCc1ccccc1Cl)CCCSCC=O	24
+CC(C)(C)OC(=O)N(Cc1cc(CCO)ccc1)CCc2ncccc2	168
+CC(C)(C)OC(=O)N(CCn1cc(cn1)-c2cc3nccc(Oc4ccc([N+]([O-])=O)cc4F)c3s2)C	4079
+CC(C)(C)OC(N(Cc1c(cccc1)N)C(C)C)=O	0
+CC(C)(C)OC(=O)N(Cc1nc2c(SCC(=O)N2C)cc1Cl)C3CCN(CC3)CCN4C(=O)C=Nc5ccc(cc45)OC	3395
+CC(C)(C)OC(N(C)Cc1ccc(OC)c(N)c1)=O	0
+CC(C)(C)OC(=O)N(Cc1cc(c(cc1)-c2ccc(cc2)N)C)CCC(C)C	0
+CC(C)(C)OC(=O)N(Cc1cc(c(-c2ccc(cc2)[N+](=O)[O-])cc1)C)CCC(C)C	11
+CC(C)(C)OC(=O)N(Cc1cc(c(-c2ccc(cc2)NS(=O)(=O)C)cc1)C)CCC(C)C	80
+CC(C)(C)OC(=O)N(Cc1ccc(c(c1)F)-c2cc(ccc2)C(=O)N=CN(C)C)CCC(C)C	2098
+CC(C)(C)OC(=O)N(Cc1ccc(-c2cccc(c2)C(N)=O)c(c1)F)CCC(C)C	216
+CC(C)(C)OC(=O)N(CCCCN(CCC)CCC)Cc1ccc(cc1)CN(Cc2n(C)ccn2)Cc3[nH]ccn3	566
+CC(C)(C)OC(=O)N(Cc1cn(c2c1ccc(c2)C(O)=O)S(=O)(=O)c3cnccc3)C	1
+CC(C)(C)OC(=O)N(C)Cc1cn(S(=O)(=O)c2cnccc2)c3c1ccc(c3)CO	49
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(cc5)CNCCOC)s4)ncc3	2
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)cc1)CCOC	680
+C1CN(CCC1NCc2c(Cl)cc3c(n2)N(C)C(CS3)=O)CCN4C(=O)C=Nc5ccc(cc45)OC	2
+CC(C)(C)OC(N1CC(CCl)c2c3c(ccc12)ccc(S(=O)(=O)C)c3)=O	4080
+CC(C)(C)OC(N(c1c(NC(COc2ccc(cc2)CC3SC(=O)NC3=O)=O)ccc(SC)c1)C)=O	33
+CC(C)(C)OC(=O)N(c1nc(c(cc1)C=O)F)Cc2cnc(OC)c(F)c2	687
+CC(C)(C)OC(=O)N(c1ccc(cc1)NC(=O)c2ccc(nc2Cl)C)CCc3ccccn3	246
+C1CCCCN1c2nc(ccc2C(=O)Nc3ccc(cc3)NCCc4ccccn4)C	396
+c1ccccc1COc2c(c(ccc2)NCC)[N+](=O)[O-]	396
+c1c2ccc(NC)cn2c(n1)C(=O)c3cc(C(=O)OC)c(cc3)[N+]([O-])=O	4081
+C1N(CC1)Cc2nccc(-c3cc(ccc3Oc4cc(F)c(S(=O)(=O)Nc5cscn5)cc4F)Cl)c2	7211
+CC(C)(C)OC(N(C1CN(Cc2ccc3c(CCO3)c2)CC1)c4ncc(C=CC(=O)OCC)cc4)=O	889
+CC(C)(C)OC(N(C1CN(CC1)Cc2ccc(cc2)OC)c3ncc(C=CC(=O)OCC)cc3)=O	48
+C1CC1CNc2cc(ccn2)-c3cccc(n3)C(Nc4c(C(N)=O)nn(C)c4)=O	2776
+CC(C)(C)OC(=O)N(c1nccc(-c2cccc(C(Nc3c(C(N)=O)nn(C)c3)=O)n2)c1)CC4CC4	2491
+CC(C)(C)OC(=O)N(c1nccc(-c2cccc(n2)C(=O)O)c1)CC3CC3	1
+CC(C)(C)OC(=O)N1C(=O)C(CC1)C	4082
+CC(C)(C)OC(N1C(C(=O)N(CC1)Cc2ccccc2)CCCC)=O	7212
+CCC(CC)c1cccc2NC(=O)N(CC(OCC)=O)c12	7213
+O=Cc1c2CCNC(c2c[nH]1)=O	7214
+CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC(N)=O	327
+CC(C)(C)OC(N1C(C(=O)O)CC(CCNC(=O)C=C)C1)=O	4
+CC(C)(C)OC(=O)N1CCn2c3c(cc(c(S(=O)(=O)C)c3)COC)nc2C1C(C)C	49
+CC(C)(C)OC(=O)N1C(CN(CC1)c2c3cc(C#N)c(Cl)cc3ncn2)C(N)=O	1572
+CC(C)(C)OC(=O)N1C(CN(c2c3c(cc(Cl)c(C4CC4)c3)ncn2)CC1)C(N)=O	365
+CC(C)(C)OC(N1C2CC(C1C(N3C(C#N)CCC3)=O)CC2OCC(=O)O)=O	3
+CC(C)(C)OC(N1CCCC1C(N2CCCC2C(O)COc3ccccc3)=O)=O	4083
+CC(C)(C)OC(=O)N1CCCC1C(N)=O	83
+CC(C)(C)OC(N1CCCC1C(=O)NC(Cc2ccccc2)C(=O)NC(CCCNC(N[N+]([O-])=O)=N)C(O)=O)=O	207
+CC(C)(C)OC(N1CCCC1C(=O)Nc2cc(ccc2)-c3ccc(cc3)Cl)=O	33
+CC(C)(C)OC(N1C(C(NCCCc2ccccc2)=O)CCC1)=O	9
+CC(C)(C)OC(N1C(CCC1c2ccccc2)C(Nc3nc(cs3)-c4ccc(cc4)C(NC5CC5)=O)=O)=O	373
+CC(C)(C)OC(=O)N1C(C(N)=O)CN(c2ncnc3c2cc(c(Cl)c3)Br)CC1	1360
+CC(C)(C)[Si](C)(C)OCC1C(CCN1C(=O)OC(C)(C)C)O	19
+CC(C)(C)OC(N1CC(N)CC1C(OCC)=O)=O	18
+c1ccccc1CONC2CCC(NC2)C(OCC)=O	4084
+CC(C)(C)OC(=O)N1C(C)(C)CNC2(CCCC2)C1	25
+FC(F)(F)c1c(CN2CCNC(C)(C)C2)ccc(N3CCOCC3)c1	2
+CC1(C)NCCN(c2ccc(cc2OC)[N+](=O)[O-])C1	2
+CC1(C)NCC(N(c2c(C)cccc2)C1)=O	255
+CC(C)(C)OC(=O)N1C(C)(C)CN(c2c(OC)cc(cc2)[N+](=O)[O-])CC1	34
+CC(C)(C)OC(=O)N1C(C)(C)CN(CC1)Cc2ccc(N3CCOCC3)cc2C(F)(F)F	48
+CC(C)(C)OC(=O)N1CCN(Cc2ccc(cc2)C(C)Nc3nc(N4C(=O)OCC4C(C)C)ccn3)CC1(C)C	48
+CC(C)(C)OC(NC(CC1COCCC1)CO)=O	2777
+c1cc(ccc1)C(C)=CCC(CO)N	2122
+CC(C)(C)OC(N1C(C)CCC(C(NOC(c2ccc(cc2)F)=O)=N)C1)=O	7215
+CC(C)(C)OC(=O)N1CC(C(O)=O)CCC1C	4
+CC(C)(C)OC(N1C(C)CCC(C1)COC)=O	21
+C1CC1NC(c2cc(-c3cc4C(=CN(CC5CC5)C(c4cc3)=O)CN6CCNC(C)C6)c(c(F)c2)C)=O	2
+CC(C)(C)OC(N1C(CN(Cc2cnc(cc2)NC)CC1)C)=O	565
+CC(C)(C)OC(=O)N1CCN(c2cnc(cc2)[N+]([O-])=O)CC1C	244
+C1CC1C2CN(CCN2)c3nc(C4CC4)c(N(C)c5ccnc(Cl)c5)cc3C#N	2
+CC(C)(C)OC(=O)N1C(CN(CC1)c2nc(c(cc2C#N)Nc3cc(ncc3)Cl)C4CC4)C5CC5	1674
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3cnc(C4N(C(OC(C)(C)C)=O)C5CCC4C5)[nH]3	17
+CC(C)(C)OC(=O)N1CCCC1C(COc2ccccc2)O	626
+Fc1cc(cc(F)c1)CC2NC(OC2C3NCc4c(C3)cccc4)=O	2
+CC(C)(C)OC(=O)N1CC(N(OCC=C)S(=O)(=O)c2c(cccc2)[N+](=O)[O-])C(=CC1COC)C(=O)N(C)C	76
+CC(C)(C)OC(=O)N1C(CCOC)CCCC1	21
+CC(C)(C)OC(N1C(C(=O)N2CCSC2)CC(CN)C1)=O	51
+CC(C)(C)OC(=O)N1C(CO)CC(OC)C1	35
+O=S(=O)(C1CC(NC1)C(=O)NC2(CC2)C#N)c3ccccc3Cl	255
+CC(C)(C)OC(N1CCCCC1Cc2cn3c(n2)cc(C(F)(F)F)cc3)=O	3258
+CC(C)(C)OC(N1CC(CC1CO)N)=O	18
+CC(C)(C)OC(=O)N1CC(CC1C(OCC)=O)O	27
+CC(C)(C)OC(N1CC(CC1C(NC2(CC2C=C)C(=O)OCC)=O)O)=O	188
+CC(C)(C)OC(N1C(CC(O)C1)C(N)=O)=O	83
+CC(C)(C)OC(N1CC(CC1COc2c3c(ncnc3cc(c2)OC)Nc4cc(c(F)cc4)Cl)O[Si](C)(C)C(C)(C)C)=O	3431
+CC(C)(C)OC(=O)N1C(CCC(O)=O)CC(Oc2c3c(c(-c4ccccc4)oc3ncn2)-c5ccc(cc5)OC)CC1	4
+CC(C)(C)OC(=O)N1CCC1CN	18
+CC(C)(C)OC(N1C(C)(CC2(CC2)CC1)C(=O)NC(C)c3ccc(cc3)C(=O)OC)=O	9
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	273
+CC(C)(C)OC(=O)N1C(CC(F)(F)C1)CCC(=O)O	3
+CC(C)(C)OC(N1C(CCOC)CCC(C1)N(C(OCc2ccccc2)=O)C(C)C)=O	76
+c1cc(ccc1)-c2c(c3c(ncnc3o2)OC4CC(CCC(O)=O)NCC4)-c5ccc(cc5)OC	2
+c1cc(ccc1Cl)CC=2c3ccccc3C(N(N=2)CC4NCCC4)=O	2
+c1ccccc1Cc2ccc(cc2)OCC3NCCC3	2
+c1ccccc1Oc2ccc(cc2)OCC3NCCC3	2
+c1(Cl)c(Cl)nc2c(oc(C3NCCC3)c2)c1	2
+CC(C)(C)OC(=O)N1C(CCC1)c2nn(-c3cccc(c3)C#N)nn2	160
+c1(cccc(C#N)c1)-n2nc(C3NCCC3)nn2	2
+CC(C)(C)OC(=O)N1C(CCCC1)CCOc2c3cc(c(cc3nc(O)c2-c4cc(C)cc(C)c4)Cl)N	0
+Cc1cc(cc(C)c1)-c2c(c3c(nc2O)cc(Cl)c([N+]([O-])=O)c3)OCCC4CCCCN4	2
+Cc1cc(cc(C)c1)-c2c(O)nc3c(cc(c(c3)Cl)NC(NC4CC4)=O)c2OCCC5CCCCN5	2
+CC(C)(C)OC(=O)N1CCCCC1CCNc2nccc(O)c2[N+]([O-])=O	70
+CC(C)(C)OC(=O)N1C(CCNc2c3c(ccn2)oc(Cc4cc(Cl)ccc4-n5cncn5)n3)CCCC1	7216
+n1c(Cc2cc(Cl)ccc2-n3ncnc3)oc4c1c(NCCC5NCCCC5)ncc4	2
+CC(C)(C)OC(N1CCCCC1CCO)=O	88
+c1cc(ccc1-c2[nH]c3cc(ccc3n2)C(N)=O)OCCC4CCCCN4	2
+c1cc(ccc1NS(=O)(=O)c2cccc3cnccc23)CCC(N)CO	2122
+CC(C)(C)OC(=O)N1CCN(CC1CCOS(=O)(=O)C)C(OCc2ccccc2)=O	7
+C1C(NCCN1c2ncnc3cc(Cl)c(cc23)C#N)C(=O)N	255
+CC(C)(C)OC(=O)N1C(C2CC2)CN(c3c(cc(N(C)c4ccnc(Cl)c4)c(C5CC5)n3)C#N)CC1	4085
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(=O)O)C	4
+CC(C)(C)OC(N1C(C)CN(c2c3CN(CCc3nc(-c4c(C)cccc4C)n2)Cc5ccccc5)C(C)C1)=O	345
+CC(C)(C)OC(=O)N1C(CNC(=O)C(F)(F)F)C2CCC1C2	605
+CC(C)(C)OC(=O)N1CCCC1CNc2ccn3nccc3n2	2447
+C(N1C(=O)c2c(cccc2)C(=N1)Cl)C3NCCC3	2
+FC(F)(F)C(NCC1NC2CC1CC2)=O	2
+C1C(NCC1)(CNCc2c(Cl)cccc2)C	2
+c1cc(ccc1)-c2cc(Oc3ccc(cc3)C#N)c(NCC4NCCC4)cc2	2
+CC(C)(C)OC(N1C(COC1(C)C)CC(COS(=O)(=O)c2ccc(cc2)C)CCCO)=O	2764
+CC(C)(C)OC(=O)N1C(CCc2ccc(cc2)NS(=O)(=O)c3cccc4cnccc34)COC1(C)C	69
+CC(C)(C)OC(N1C(C)(C)OCC1CCc2ccc(cc2)Nc3ccc(cc3)Cl)=O	230
+c1cc(ccc1F)N2CCN(CC2)C(OCC3NCCOC3)=O	2
+CC(C)(C)OC(N1C(Cc2cc([N+](=O)[O-])ccc2C1)C(O)=O)=O	3
+CC(C)(C)OC(=O)N1Cc2[nH]c3c(c2CC1C(N)=O)cccc3	83
+CC(C)(C)OC(N1C(Cc2c(n(c3c2cccc3)Cc4ccc(cc4)F)C1)C(=O)O)=O	190
+CC(C)(C)OC(N1C(Cc2c(C1)n(c3ccccc23)Cc4ccc(cc4)F)CN)=O	15
+C(C1CCCCN1)c2nc3ccccc3o2	2
+c1ccccc1Oc2cc(c(cc2)-c3nn(CC4NCCC4)c5ncnc(N)c35)F	2
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(ncnc4N)n(CC5NCCC5)n3)F	2
+c1cc(ccc1-c2c3c(ncnc3N)n(CC4NCCC4)n2)Oc5cc(F)cc(c5)F	2
+CC(C)(C)OC(=O)N1C(=O)N(CC(=O)OCC)c2c(cccc12)C(CC)CC	4073
+CC(C)(C)OC(=O)N1C(=O)c2c(c([nH]c2)C=O)CC1	413
+O(c1ncc(F)cc1C2CCCN2)C	2
+CC(C)Oc1c(cc(cc1)-c2onc(-c3cc4c(C(CCC(=O)OC)NCCC4)cc3)n2)Cl	2
+CC(C)(C)OC(=O)N1C(c2nc(no2)N3CCC(CC3)C(C)CCOc4ccc(cc4)S(=O)(=O)C)CCC1	20
+c1cc(ccc1OCCC(C2CCN(CC2)c3nc(on3)C4NCCC4)C)S(=O)(=O)C	2
+CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]ccc23)CC14CC4	778
+C1CN(CCC12NCCCC2)C(c3ccc(cc3)-c4cn5c(-c6ccc(cc6)C#N)cnc5cc4)=O	2
+C12C(NCC1)CN(C)C2	2
+CC(C)(C)OC(=O)N1CC2CC1C(c3onc(C)c3)=CC2	7217
+[N-]=[N+]=NCC1C2NC(CC2)C1	2
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(COS(=O)(=O)C)C3CCCCC3	7
+CC(C)(C)OC(N1C2CC(CC1CC2)(c3ccccc3)CO)=O	21
+CC(C)(C)OC(N1C2CCC1CC(C2)C#[N+]CS(=O)(=O)c3ccc(cc3)C)=O	1141
+CC(C)(C)OC(N1C2CCC1CC(C2)NC(CCCc3cnn[nH]3)=O)=O	9
+CC(C)(C)OC(N1C2CC2CC1CN)=O	273
+CC(C)(C)OC(N1C(C=O)CC2CC12)=O	24
+CC(C)(C)OC(=O)N1C2CC(CC1CC2)(C3CCCCC3)CO	21
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(CSC)C3CCCCC3	786
+CC(C)(C)OC(N1C2CC(CC1CC2)(Cn3cncn3)C4CCCCC4)=O	7218
+C1C2CCC(CN1c3ncccc3Cl)N2	2
+CC(C)(C)OC(N1C2CCCC2CC1C=O)=O	24
+C1CCC2NC(N(C)C12)=O	7219
+CCOC(=O)c1c(C)nc(s1)N2CC3C2CCN3	2
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4CC5CCC(C4)N5	2
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)c3cc4C(C(C(N(C(C)=O)c4cc3)C)C)Nc5ccccc5	250
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)c3ccc4N(C(C)=O)C(C)C(C)C(c4c3)N	102
+CC(C)(C)OC(=O)N1C2CCC1CN(C2)c3ccnc(Nc4cc(C)c(C(OCC)=O)nc4)n3	949
+CC(C)(C)OC(=O)N1C2CCC1CN(C2)c3c(cccn3)Cl	323
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)C(=O)OCC3c4c(-c5c3cccc5)cccc4	66
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)c3ccc4c(c3)C(NC(=O)OCc5ccccc5)C(C(C)N4C(C)=O)C	79
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)c3ccnc(n3)Cl	54
+CC(C)(C)OC(N1Cc2c(nc(nc2)SC)C1)=O	7220
+CC(C)(C)OC(=O)N1Cc2c(C3(CCC3)C)[nH]nc2CC1	3403
+CC(C)(C)OC(N1CC(CCC1C)C(=O)C)=O	591
+CC(C)(C)OC(=O)N1CC(CC(CO)C1)N(C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C)C	21
+CC(C)(C)OC(=O)N1CC(C(=O)OC)CC(NCC(C)C)C1	110
+CC(C)(C)OC(N1CC(N(CC(C)C)C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C(=O)OC)C1)=O	7221
+CC(C)(C)OC(=O)N1CC(C(OC)=O)CC(N(CC(C)C)C(=O)c2nc3c(cccc3)[nH]2)C1	7222
+CC(C)(C)OC(=O)N1CC(C(=O)OCC)C(NC(=O)OCc2ccccc2)C1	101
+CC(C)(C)OC(N1CC(NC(=O)OCc2ccccc2)C(C(O)=O)C1)=O	3
+CC(C)(C)OC(N1CCN(C(C(=O)OCC)C1)S(=O)(=O)c2ccc(cc2)OCC#CC)=O	1387
+CC(C)(C)OC(N1CCN(S(=O)(=O)c2ccc(cc2)F)C(C(=O)OCC)C1)=O	1387
+CC(C)(C)OC(=O)N1CC(C(C(=O)OCC)C1)CNC(C)C	110
+CC(C)(C)OC(=O)N1CC(C(CN(C(C)C)C(=O)c2cc(c(cc2)OC)OCCCOC)C1)C(=O)OCC	30
+c1ccccc1CC2C(CNC2)CN(C(C)C)C(=O)C3CC(Nc4ccccc34)=O	2
+CC(C)(C)OC(=O)N1CC(C(=O)N2CC(CCC2)Cc3ccc(cc3)F)C(NC(Nc4cccc(C(C)=O)c4)=O)CC1	282
+CC(C)(C)OC(=O)N1CCC(C(C(N2CC(CCC2)Cc3ccc(cc3)F)=O)C1)NC(OCc4ccccc4)=O	10
+c1ccccc1COC(=O)NC2C(CNCC2)OC	2
+c1ccccc1COC(NC2CN(c3nc(c(C(OCC)=O)s3)C)CCC2NC(c4[nH]c(Cl)c(CC)n4)=O)=O	4086
+CC(C)(C)OC(=O)N1CC(C(O)=O)C(C1)CN(C(C)C)C(=O)c2cc(c(cc2)OC)OCCCOC	3
+CC(C)(C)OC(=O)N1CC(C(C1)CN(C(C)C)C(C2CC(Nc3ccccc23)=O)=O)Cc4ccccc4	10
+CC(C)(C)OC(N1CC(c2ccccc2)C(C1)C=O)=O	24
+CC(C)(C)OC(N1CC(C(OCC)=O)C(C1)CO)=O	21
+CC(C)(C)OC(=O)N1CC(CN(C(C)C)C(c2cc(c(cc2)OC)OCCCOC)=O)C(CO)C1	21
+CC(C)(C)OC(N1CC(C(=O)NCc2ccccc2)C(CN(C(=O)c3cc(c(cc3)OC)OCCCOC)C(C)C)C1)=O	9
+CC(C)(C)OC(N1CC(C(=O)Nc2cc(Cl)ccc2O)CCC1C)=O	33
+CC(C)(C)OC(=O)N1CC(C(=O)N(C)OC)CCC1C	164
+c1(-c2cc(ccc2)CN3C(CNCC3)C(=O)O)ccnc(Cl)n1	2
+CC(C)(C)OC(=O)N1CCCC(C(OCC#N)c2cc(Cl)cc(c2)F)C1	4087
+CC(C)(C)OC(N1CC(C(CC1)=O)OC)=O	7223
+CC(C)(C)OC(=O)N1CC(N(C(=O)c2n(c3c(cccc3)n2)CCCCOC)CC(C)C)CC(C1)C(=O)OC	4088
+Clc1cccc(C=CC(=O)N2C(C(OC)=O)CNCC2)c1	2
+CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O	74
+CC(C)(C)OC(N1CCOC(c2ccc(c(Cl)c2)Cl)C(CNS(=O)(=O)C)C1)=O	111
+CC(C)(C)OC(=O)N1CC(C=O)C(CC1)c2ccc(cc2)F	24
+CC(C)(C)OC(=O)N1CCC(c2ccc(cc2)OCCCOCc3c(F)cccc3)C(=NOCc4ccccc4)C1	350
+CC(C)(C)OC(=O)N1CCC(C(C)(C)C1)N	316
+CC(C)(C)OC(=O)N1CC(C)(C)C(Cc2ccc(cc2)Cl)(CC1)O	3892
+CC(C)(C)OC(=O)N1CCC(C(C)(C)C1)NCc2ccccc2	87
+c1cc(ccc1CC2(O)CCNCC2(C)C)Cl	2
+CC(C)(C)OC(=O)N1CC(C)(C)c2cc(c(Cc3ccc(cc3)F)cc12)C#N	160
+CC1(C)c2c(NC1)cc(c(C#N)c2)Cc3ccc(cc3)F	396
+CC(C)(C)OC(=O)N1CC(CCC1CNCc2ccccc2)C	110
+c1(-c2ccsc2)cc(cc(c1)N3C(CNCC3)C)F	2
+CC(C)(C)OC(N1CC(N(c2c3CN(c4cc(C(C)C)ccc4C)CCc3nc(n2)-c5c(C)cccc5C)CC1C)C)=O	908
+CN(C)C(c1cc(Cl)cc2c1oc(N3CCNCC3C)n2)=O	2
+CC(C)(C)OC(=O)N1CC(N(c2nc3c(c(cc(Cl)c3)C(=O)OCC)o2)CC1)C	2647
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1C)c(C(=O)N4C(CN(CC4)C(OC(C)(C)C)=O)C)cn2	2778
+CC(C)(C)OC(=O)N1CC(C)N(c2cc(-c3cscc3)cc(F)c2)CC1	79
+CC(C)(C)OC(N1CC(C)N(CC1)c2ccc([N+]([O-])=O)nc2)=O	244
+CC(C)(C)OC(N1CC(N(Cc2ccc(cc2)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5)CC1)C)=O	48
+CC(C)(C)OC(=O)N1CCN(C(C)C1)c2c3c(nc(n2)N)ccc(n3)-c4ccc(cc4)F	7224
+CC(C)(C)OC(N1CC(N(CC1)Cc2ccccc2)C)=O	131
+CC(C)(C)OC(N1CC(N(CC1)c2c3c(COC3C)ncn2)C)=O	54
+CC(C)(C)OC(N1CC(C1)(C2N(CCCC2)C)CN)=O	51
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2n3ncc(-c4cnn(C5(CNC5)CC#N)c4)cc3nc2	2
+C1NCC1(C2CCCCN2C)CNC(=O)c3c(ccc(F)c3Cl)F	2
+CC(C)(C)OC(N1CC(C1)C2CCN(CC2)C(=O)c3sccn3)=O	1999
+CC(C)(C)OC(=O)N1CC(C1)CNc2nc(nc3c2scc3)Cl	3925
+C1C(CN1)CNc2nc(nc3c2scc3)Cl	2
+CC(C)(C)OC(N1CC(C1)COS(=O)(=O)C)=O	7
+FC(F)(F)C(N1CC(C1)Cc2c(OC)cccc2)=O	7225
+C1NCC1Cc2onc(-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)n2	2
+FC(F)c1sc(C(Nc2n(CC3CNC3)c4ccccc4n2)=O)cc1	2
+C1NCC1N(C)C(C)(C)C(N)=O	2
+C1NCC1N2CCNC(=O)C2	2
+CC(C)(C)OC(N1CC(C1)N2CCN(CC2)C(CNc3c(OC)cc(Cl)c(I)c3)=O)=O	10
+C1COCCN1C2CNC2	2
+C1NCC1NC(Nc2cc(F)c(cc2)Oc3c4c(ncc3)cc(s4)-c5ccc(cn5)C6OCCO6)=O	2
+CC(C)(C)OC(N1CC(C1)Oc2ccc(Br)c(c2)[N+]([O-])=O)=O	624
+CC(C)(C)OC(=O)N1CC(C1)Oc2c3c([nH]cc3)c(cc2)C#N	2779
+CC(C)(C)OC(N1CC(C1)c2c(OC)c(cc(Cl)c2C)C(C)N)=O	1354
+CC(C)(C)OC(=O)N1CC(C1)c2c(c(cc(c2F)Cl)C(O)C)OC	74
+C1NCC1c2nc(no2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C	2
+CC(C)(C)OC(N1CCC(C1)c2cc(Cl)n3c(ccn3)n2)=O	1591
+CC(C)(C)OC(=O)N1C(C(=O)OC)CC(CCO)C1	21
+CC(C)(C)OC(N1CC(N(CC(C)C)C(=O)c2nc3c(cccc3)n2CCCCOC)CC(C1)C=4NOC(=O)N=4)=O	7226
+CC(C)(C)OC(N1CC(CC(C(N2CCOCC2)=O)C1)NS(=O)(=O)c3c(cccc3)[N+](=O)[O-])=O	71
+CC(C)(C)OC(N1CC(O[Si](C)(C)C(C)(C)C)CC(C1)CN=[N+]=[N-])=O	600
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	18
+CC(C)(C)OC(N1CC(C(=O)N)CC(N(C(c2n(c3c(cccc3)n2)CCCCOC)=O)CC(C)C)C1)=O	83
+CC(C)(C)OC(N1CC(CC(N(C(c2nc3c(cccc3)n2CCCCOC)=O)CC(C)C)C1)c4onc(C)n4)=O	1166
+CC(C)(C)OC(N1CC(C(=O)O)CC(N=[N+]=[N-])C1)=O	4
+CC(C)(C)OC(=O)N1CC(CC1)(N2CCC(CC2)Nc3cc(c(F)cc3[N+](=O)[O-])C)C	60
+CC(C)(C)OC(=O)N1CCC(C)(N2CCC(CC2)=O)C1	86
+c1cc(ncc1Br)C(=O)C2CCNC2	2
+C(C1CCNC1)C(OCC)=O	2
+C1N(C(=O)CC)CCC1CC(OCC)=O	1324
+CC(C)(C)OC(=O)N1CC(CS(Cc2ccc(cc2)F)=O)CC1	441
+CC(C)(C)OC(=O)N1CCC(N(Cc2ccc(cc2)Cl)CC(NCC)=O)C1	9
+C1CN(CCN1C(=O)Nc2cc(Cl)c(Cl)cc2)C3CNCC3	2
+O=S(=O)(N)c1cc(c(NC2CCNC2)cc1)[N+]([O-])=O	2
+c1(ncnc2n(c(nc12)C(=O)OC)CC)NC3CNCC3	2
+CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(cc3)Oc4ccccc4)c5c2ncnc5N)C1	2123
+CC(C)(C)OC(=O)N1CC(F)CC1C#N	2124
+CC(C)(C)OC(N1C(CC(C1)F)C(=O)NCc2ncc(c(-c3ccc(nc3)C(F)(F)F)c2)Cl)=O	9
+CC(C)(C)OC(N1C(C(=O)NCc2cc(C(OC)=O)cc(Cl)c2F)CC(C1)F)=O	9
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)CCP(OCC)(OCC)=O	1586
+CC(C)(C)OC(N1C(CC(C1)Nc2c3c(cccc3)nc(-c4ccccc4OC)n2)C(OC)=O)=O	40
+N1(CCSC1)C(=O)C2NCC(CNC(c3cccc(-c4nnn[nH]4)c3)=O)C2	255
+CC(C)(C)OC(=O)N1CC(OC)CC1C(=O)Nc2ccc(cc2F)-n3ccc(C)n3	33
+CC(C)(C)OC(=O)N1CC(OC)CC1C(=O)Nc2c(cc(N3CCCCC3=O)cc2)F	33
+CC(C)(C)OC(=O)N1CC(c2ccccc2)CC1COC	21
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)c2ccc(cc2)C)CC1C(OCC)=O	36
+c1cc(ccc1)C2CNC(C)C2	2
+CC(C)(C)OC(N1C(CC(NS(=O)(=O)c2c(ccc(Br)c2)OC)C1)CN3C(c4ccccc4C3=O)=O)=O	71
+CC(C)(C)OC(N1CC(c2ccccc2)CC1COS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1CCCC(c2nc(-c3cc(C(C)C)c[nH]3)on2)C1)=O	3786
+CC(C)(C)OC(=O)N1CC(CCC1)C(c2cc(ccc2C)F)O	74
+CC(C)(C)OC(=O)N1CC(C(O)c2cc(cc(c2)Cl)F)CCC1	74
+CC(C)(C)OC(N1CC(C#N)CCC1)=O	143
+CC(C)(C)OC(=O)N1CCCC(C(c2cc(ccc2C)F)OCC#N)C1	4087
+CC(C)(C)OC(=O)N1CCCC(C1)CNc2c3nccnc3cc(-c4cn(Cc5ccccc5)nc4)n2	1675
+CC(C)(C)OC(=O)N1CCCC(COc2ccccc2O)C1	16
+c1cc(ccc1-n2c(nc3c(NC4CCCNC4)ncnc23)-c5c(cccc5)Cl)Cl	2
+CC(C)(C)OC(N1CC(CCC1)c2cc(nc(N)c2C(N)=O)-c3ccccc3OCc4ccccc4)=O	4089
+FC1(F)Oc2ccc3c4n(nc(C5CNCCC5)n4)c(N)nc3c2O1	2
+CC(C)(C)OC(N1C(CCC(C1)C#N)C)=O	143
+CC(C)(C)OC(=O)N1C(CCC(N(C(OCc2ccccc2)=O)C(C)C)C1)CCO	21
+CC(C)(C)OC(N1CC(C)CCC1CN)=O	273
+CC(C)(C)OC(=O)N1c2cc(OC(=O)C)c3c(cccc3)c2C(CCl)C1	385
+CC(C)(C)OC(N1CC(c2c1cc(N)c3ccccc23)CCl)=O	0
+CC(C)(C)OC(N1CC(C(CN(C(=O)c2cc(c(cc2)OC)OCCCOC)C(C)C)C1)CNC(C)C)=O	110
+CC(C)(C)OC(=O)N1CC(CN(C(C)C)C(=O)c2cc(c(cc2)OC)OCCCOC)C(C=O)C1	24
+CC(C)N(CC1CNCC1CO)C(c2ccc(c(c2)OCCCOC)OC)=O	2
+CC(C)(C)OC(N1CCCC(CNc2c(cnc(n2)NCc3cc(c(F)cc3)F)[N+](=O)[O-])C1)=O	96
+CC(C)(C)OC(N1CCCC(F)(C1)CNc2nc(cc3c2cccn3)-c4cn(nc4)CC)=O	1675
+CC(C)(C)OC(N1CCC(C(COc2c(cc(I)cc2)C#N)C1)c3ccc(cc3)Cl)=O	57
+CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(N1CC(C=O)CC1)=O	24
+CC(C)(C)OC(=O)N1CCC(C1)COc2c(I)nc(c(Br)c2)Cl	1286
+CC(C)(C)OC(N1CC(COS(=O)(=O)C)CC1)=O	7
+CC(C)(C)OC(N1CC(CCC1)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1CC(CCC1)COc2ccccc2OCc3ccccc3	126
+CC(C)(C)OC(N1CC(N(Cc2ccccc2)CC1C)CO)=O	48
+CC(C)(C)OC(N1c2c(c3cccnc3c(OCc4ccccc4)c2)C(COS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(=O)N1CC(COCc2ccc(cc2)OC)N(c3ccc(cc3)OCCCOCc4ccc(cc4)Cl)CC1	555
+c1cc(ccc1N2CCNCC2COCc3ccc(cc3)OC)OCCCOCc4ccc(cc4)Cl	2
+c1cc(ccc1)COCC2CNCC(=O)N2c3ccc(cc3)OCCCOCc4c(cccc4)OC	255
+CC(C)(C)OC(=O)N1CC(c2cc(OC)ccc2C1)CC#N	300
+CC(C)(C)OC(N1CC(COc2nc(-c3cnn(c3)CC)cc4c2cccn4)(CCC1)F)=O	1675
+c1cc(ccc1)CS(=O)CC2CNCC2	2
+c1cc(ccc1CS(CC2CNCC2)=O)F	2
+CC(C)(C)OC(=O)N1CC(CS(=O)Cc2ccccc2)CC1	441
+CC(C)(C)OC(N1CC(Cc2ccccc2)C(C=O)(F)C1)=O	24
+C1CC1C#Cc2cnc(nc2)N3CCN(CC3)c4nc(ncn4)Nc5cn(nc5)CC6CNCCO6	2
+CC(C)(C)OC(=O)N1CCCC(F)(C1)CN	18
+CC(C)(C)OC(=O)N1CC(F)(F)C(CC(=O)OCC)CC1	774
+CC(C)(C)OC(N1CC(F)(F)C(CCO)CC1)=O	44
+CC(C)(C)OC(=O)N1C(CCC(=O)OCC)CC(F)(F)C1	783
+CC(C)(C)OC(N1CC(F)(F)CC1C=O)=O	24
+C1CN(CCO1)C2C(CNCC2)F	2
+CC(C)(C)OC(=O)N1CC(CC(N(C(=O)c2nc3ccccc3n2CCCCOC)CC(C)C)C1)C(=O)O	4
+CC(C)(C)OC(=O)N1CC(COCc2ccccc2)N(C(=O)C1)c3ccc(cc3)OCCCOCc4c(cccc4)OC	149
+CN(C)C1CN(CCC1NC(=O)c2nc(c(Cl)[nH]2)CC)c3sc(C(OCC)=O)c(C)n3	4086
+CC(C)(C)OC(=O)N1CC(C)N(c2nc3c(c(cc(Cl)c3)C(N(C)C)=O)o2)CC1	1859
+CC(C)(C)OC(=O)N1CC(CC1)N(Cc2ccc(cc2)Cl)CC(=O)O	4
+c1cc(ccc1CN(C2CNCC2)CC(=O)OC)Cl	2
+O=S(=O)(c1ccccc1[N+](=O)[O-])N(OCC=C)C2CNC(COC)C=C2C(N(C)C)=O	366
+O=S(=O)(c1c(cccc1)[N+]([O-])=O)N(OCC=C)C2CNC(C(=O)N)C(C)=C2	7227
+CC(C)(C)OC(=O)N1CC(N(CC1)c2oc3c(cc(cc3C(=O)O)Cl)n2)C	6
+CC(C)(C)OC(=O)N1CC(CO)CC(C1)N2c3cccc(Cl)c3-c4noc(c4C2=O)C	647
+CC(C)(C)OC(N1CC(CNC(=O)c2ccccc2)CC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C1)=O	93
+CC(C)(C)OC(=O)N1C(CC(N=[N+]=[N-])C1)CO	95
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N	18
+C1C(N=[N+]=[N-])CNC1Cc2c3c(cccc3)[nH]c2C	2
+C1C(CCCN1)NC(=O)NC2C3C(OC2)C(CO3)Oc4c(nccc4)C	2
+CC(C)(C)OC(=O)N1CC(C(CC1)NC(c2[nH]c(Cl)c(CC)n2)=O)NC(OCc3ccccc3)=O	855
+CC(C)(C)OC(N1C(CC(C1)NC(=O)c2ccc(s2)Cl)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1CC(CC(C(=O)N2CCOCC2)C1)N	102
+CC(C)(C)OC(N1CC(N(CCC1)Cc2ccccc2)=O)=O	806
+Clc1ncc(F)c(NC2CCCNC2)n1	2
+CC(C)(C)OC(=O)N1CC(n2c3c(cnc4c3scc4)nc2C(C)O)CCC1	7228
+CC(C)(C)OC(=O)N1CC(Nc2c(N)cnc3c2scc3)CCC1	13
+CC(C)(C)OC(=O)N1CCCC(N(C)c2ncc(C#N)c3sc(Br)cc23)C1	1347
+CC(C)(C)OC(N1CCC(N(c2c3ccccc3cc(C#N)n2)C)C1)=O	1347
+CC(C)(C)OC(N1CC(OS(=O)(=O)C)CC(C1)C(OC)=O)=O	7
+C[Si](C)(C)CCOCn1c(nc(-c2ccc(cc2)Br)c1)C3N(C(=O)OC(C)(C)C)CC(C3)O	1073
+c1cc(ccc1C2C(OC(NCCCC)=O)CNC2)F	2
+C1(OC)C(CCNC1)N=[N+]=[N-]	2
+c1(ccc(NC(=O)C2NCC(OC)C2)c(F)c1)N3CCCCC3=O	255
+COC1CNC(C1)C(Nc2c(F)cc(cc2)-n3nc(C)cc3)=O	255
+CC(C)(C)OC(=O)N1CC(OCC1)C(NCCc2cc(OC)c(NC(=O)Nc3ncc(C#N)nc3)cc2Cl)=O	446
+CC(C)(C)OC(=O)N1CC(OCC1)C(NCCc2c(cc(c(OC)c2)N)Cl)=O	0
+c1cc(ccc1Cl)NC(=O)NCC2CNCCO2	2
+O1CCN(CC1CO)C	352
+CC(C)(C)OC(N1CC(COS(=O)(=O)C)OCC1)=O	7
+c1cc(ccc1N2CCOCC2)-c3nc(OCC4CNCCO4)c5c(nccn5)c3	2
+CC(C)(C)OC(N1C(C(=O)OC)CC(O)C1)=O	118
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1C(=O)OC	298
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1Cc2c(C)[nH]c3c2cccc3	298
+CC(C)(C)OC(=O)N1C(C(OCC)=O)CC(N=[N+]=[N-])C1	2780
+CC(C)(C)[Si](C)(C)OC1C(CN(C(OC(C)(C)C)=O)C1)C=O	24
+CC(C)(C)OC(=O)N1CC(COS(=O)(=O)C)c2cc(ccc2C1)OC	7
+CC(C)(C)OC(=O)N1CC(c2cc(c(N)cc2)C)OCC1	0
+FC(F)(F)Oc1ccc(cc1F)C2CN(CC(c3nc(OCC)no3)C2)C(OC(C)(C)C)=O	4090
+CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2	88
+c1cc(ccc1-c2n(C3CNCCC3)nc(N)c2C(=O)N)Oc4ccccc4	2
+CC(C)(C)OC(=O)N1CC(CC1)n2nc(-c3ccc(cc3)Nc4oc5c(cc(C)cc5C)n4)c6c(N)ncnc26	918
+CC(C)(C)OC(=O)N1CC2(C1)CCN(CC2)C(COc3ccc(cc3C(C)C)C#N)=O	3193
+C1C2(CN1)CCN(CC2)C(COc3ccc(cc3C(C)C)C#N)=O	2
+CC(C)(C)OC(N1CC2(C1)OCc3c2cnc(C4=NOC(C(F)(F)F)(c5cc(Cl)c(c(Cl)c5)F)C4)c3)=O	7229
+CC(C)(C)OC(=O)N1CC2(C1)OCc3c2cnc(C=NO)c3	688
+c1cc(ccc1Oc2ccccc2)-c3c(ncnc3N)NC4CC5(CNC5)C4	2
+CC(C)(C)OC(N1CC2(C1)CC(C2)OS(=O)(=O)C)=O	7
+C1CCCC12C(CNC2)Nc3c(cnc(n3)Nc4cn(C)nc4)C	2
+C1C2(CN1C(NCc3ccc(cc3Cl)Cl)=O)CNC2	2
+CC(C)(C)OC(=O)N1CC2(CN(C2)C3CCNCC3)C1	25
+C1CC1COc2ccc3C(=O)N(c4cc(c(cc4)N5CC6(CC5)CCNC6)F)C=Cc3c2	2
+CC(C)(C)OC(N1CC2(CN(c3cc(c(Oc4ccc(cc4)Oc5cc(ccc5)F)nc3)C(OC)=O)CC2)CC1)=O	2064
+CC(C)(C)OC(N1CC2CC(CC#N)CC(c3ccccc3)(O)C2C1)=O	677
+CC(C)(C)OC(=O)N1CC2C(CC(CC2=O)COS(=O)(=O)c3ccc(cc3)C)C1	36
+CC(C)(C)OC(N1CC2C(CCC(O)C2)C1)=O	4091
+C1C2C(CN1C(=O)c3ccccc3)CNC2	2
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)c3cncc(C(=O)Nc4ccc(cc4)Cl)c3	246
+CC(C)(C)OC(=O)N1CC2CN(CC2C1)c3ccc4n(c(-c5ccnc(N)c5)c(n4)-c6ccc(cc6)Cl)n3	212
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)C(c3ccccc3)=O	115
+CC(C)(C)OC(N1CC2CC(C)CC2C1C=O)=O	24
+CC(C)(C)OC(N1CC2CC(CC2C1)Nc3c(Cl)cnc(n3)Cl)=O	40
+CC(C)(C)OC(=O)N1CC2CC(CC(C2C1)(c3ccccc3OC)O)COS(=O)(=O)c4ccc(cc4)C	1035
+n1ccnn1-c2c(cccc2F)C(N3CC4CCNCC34)=O	2
+CC(C)(C)OC(=O)N1CC2CC(CC#N)CC(c3ccccc3OC)(O)C2C1	677
+CC(C)(C)OC(N1CC2C(CC(C2)NCc3ccccc3)C1)=O	87
+CC(C)(C)OC(N1CC2CC(CCC2C1)N)=O	316
+O=C1CC2N(CCNC2)c3c(cccc3)N1	2
+o1nc(cc1C=2C3CC(CC=2)CN3)C	366
+CC(C)(C)OC(N1CC2CC1CN2c3cc(C(=O)NCC(NC(C)C)=O)c([N+](=O)[O-])cc3)=O	34
+CC(C)(C)OC(N1C2CN(c3nc(Cl)nc(-c4cnc(N)c(C(F)(F)F)c4)c3)C(C1)C2)=O	54
+CC(C)(C)OC(=O)N1CC2CC1CN2c3nc(cc(-c4cc(ncc4)Cl)n3)C	3956
+CC(C)(C)OC(N1C2CN(c3nc(-c4ccnc(c4)Cl)cc5nccn35)C(C1)C2)=O	7230
+CC(C)(C)OC(=O)N1CC2CC1CN2c3nc(cc(n3)-c4cc(NC(c5ccccc5)C)ncc4)C	70
+c1ccccc1C(Nc2nccc(-c3nc(N4C5CNC(C4)C5)nc(c3)C)c2)C	2
+CC(C)(C)OC(=O)N1CC2CC2(C1)c3ccc(cc3)NCc4ccccc4	250
+CC(C)(C)C(CN1CC2CNCC(C1)O2)=O	2
+CN(C)C(=O)N(CCN1CC2CNCC(C1)O2)CCOc3ccc(cc3)C#N	2
+C1C2CNCC(CN1CCN(S(=O)(=O)C)CCOc3ccc(cc3)C#N)O2	2
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)c3cncc(C(=O)O)c3	6
+C1C2C(CN1c3ccc4n(n3)c(-c5ccnc(N)c5)c(n4)-c6ccc(cc6)Cl)CNC2	2
+c1cc(ccc1S(=O)(=O)N2C3CNCC2Cc4c3cn[nH]4)Cl	2
+CC(C)(C)OC(=O)N1CCN2CC(COS(=O)(=O)C)CCC2C1	7
+CC(C)(C)OC(N1C(c2ccn(n2)Cc3ccc(cc3)F)CN4CCCC4C1)=O	1944
+CC(C)(C)OC(=O)N1CCC2CCCC(C1)N2C(=O)CC	2781
+CC(C)(C)OC(N1CC2c3c(C(C1)C2)cc([N+](=O)[O-])c(N)c3)=O	0
+C1CN(CCN1C(C(c2ccc(cc2)F)C3=CCN(C)CC3)=O)CCCCc4cccc5ccccc45	352
+FC(F)(F)c1c(C=2CCNCC=2)cccc1	366
+CC(C)(C)OC(=O)N1CC=C(CC1)c2c[nH]c3c2cc(nc3C(N)=O)-c4ccccc4	2782
+CC(C)(C)OC(=O)N1CC=C(CC1)c2c3c([nH]c2)c(nc(c3)-c4ccccc4)C#N	4092
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3cc(nc(C(N)=O)c3[nH]c2)-c4ccccc4	671
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(Nc3nccc(c3)C)nc(N(CCO)C)c2	191
+CC(C)(C)OC(=O)N1CCC(CC1)c2c[nH]c3c(cc(Br)cc23)C(N)=O	671
+C1=C(CCNC1)c2cc3c(c(nnc3cc2OC)C(=O)N)Nc4c(F)cc(C)cc4	366
+CC(C)(C)OC(N1CC=C(CC1)c2cc3c(ncnc3[nH]2)-c4cc(F)ccc4OC)=O	1017
+c1(sc(-c2c(OC)cc(-n3cccn3)cc2)nn1)C4=CCNCC4	366
+CC(C)(C)OC(N1CC(C(=O)O)=C(c2ccc(cc2)OCc3onc(-c4c(F)ccc(F)c4Cl)c3)CC1)=O	127
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3cc(ccc3n(c2)S(=O)(=O)C)[N+](=O)[O-]	4093
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3C(C)CCc3ncn2	1676
+CC(C)(C)OC(=O)N1CCC(CC1)c2c[nH]c3ccc(C#N)cc23	671
+CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(c3ccccc23)-c4ccc(cc4)[N+]([O-])=O	1995
+c1nc(ncc1CCC)N2CCC(CC2)C3Cc4c(O3)c(cc(c4)C5=CCNCC5)F	366
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(c(C(N)=O)cc2)-c3ccc(cc3)C(OC)=O	1676
+C1CC(=Cc2c(ccc(-c3cc(c(cc3)OCC)F)c2)N1)C(=O)OC	396
+CC(C)(C)OC(N1Cc2c([nH]nc2CC1)C(=O)OCC)=O	2783
+CC(C)(C)OC(=O)N1CCC(=O)CC1C(=O)OC	325
+CC(C)(C)OC(N1CCC(=C)CC1C(=O)OC)=O	7231
+CC(C)(C)OC(=O)N1CCC(N(CCCCN(C2Cc3c(CC2)ccc(OC)c3)CCC)CC1)=O	61
+CC(C)(C)OC(=O)N1CCC(N(CC1)CCCC(OC)OC)=O	638
+CC(C)(C)OC(=O)N1CC(CC1)(N2CCC(CC2)O)C	2784
+CC(C)(C)OC(N1CC(C(=O)N(CC(C)C)Cc2cc3c(OCCCO3)c(Cl)c2)CC1)=O	10
+CC(C)(C)OC(N1CC(C(N(OC)C)=O)CC1)=O	164
+CC(C)(C)OC(=O)N1CC(C(NCC=2C(c3ccc(cc3N(C=2)c4ccccc4)Cl)=O)=O)CC1	1475
+CC(C)(C)OC(=O)N1CC(C(CC1)N)C(=O)N2CCCC(C2)Cc3ccc(cc3)F	102
+CC(C)(C)OC(=O)N1CCC(Nc2c(C(=O)N)cnn3cc(Br)cc23)C(C)(C)C1	719
+CC(C)(C)OC(=O)N1CCC(C(C)(C)C1)NC(=O)CC2N(S(=O)(=O)c3ccc(cc3)C)C=CNC2=O	9
+c1cc(ccc1C)S(=O)(=O)N2C=CNC(=O)C2CC(=O)NC3C(C)(C)CNCC3	2
+CC(C)(C)OC(=O)N1CCC(C(C)(C)C1)N	273
+CC(C)(C)OC(=O)N1CC(CO)C(CC1)c2ccc(cc2)Cl	88
+CC(C)(C)OC(=O)N1CCC(N2CCC(CC2)N3c4ccccc4NC3=O)(C)C1	1989
+CC(C)(C)OC(=O)N1CC(CC1)(C)N2CCC(CC2)N	316
+CC(C)(C)OC(=O)N1CCC(C)(C1)N2CCC(CC2)Nc3c(cccc3)N	231
+CC(C)(C)OC(N1CCC(C1)C2OC2)=O	7232
+CC(C)(C)OC(=O)N1CCC(C1)COc2cc(Br)c(Cl)nc2C#N	4094
+CC(C)(C)OC(=O)N1CC(CC1)N(CCCN(C)C)c2ccc(c(Cl)c2)F	53
+CC(C)(C)OC(=O)N1CCC(N(C(c2ccc(cc2)-n3c4ccccc4nc3C)=O)C)C1	497
+Clc1ccc(c(Cl)c1)CNC2CNCC2	2
+c1c(NC2CNCC2)ccc(C#N)c1Cl	2
+c1cc(ccc1OC2CCNC2)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5	2
+CC(C)(C)OC(N1CCC(CC1)(C=O)COCc2ccccc2)=O	4095
+CC(C)(C)OC(=O)N1CCC(CC1)(COC)C(=O)Nc2cccc(OC(N(C)C)=O)c2	33
+CC(C)(C)OC(N1CCC(CC1)(Cc2ccccc2C)N)=O	7233
+CC(C)(C)OC(=O)N1CCC(CC1)(COCc2ccccc2)CO	95
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)CO	95
+CC(C)(C)OC(N1CCC(CC1)(N)CO)=O	44
+C1CC(CCC1)COC(C2(CCNCC2)Cc3ccc(cc3)C#N)=O	2
+CC(C)(C)OC(N1CCC(CC1)(c2oc3cnc(cc3c2)Cl)C)=O	4096
+C1CNCCC1(C)CCC=C	2
+CC(C)(C)OC(=O)N1CCC(CC1)(C)COS(=O)(=O)C	7
+CC(C)(C)OC(N1CCC(CC1)(C)CC#N)=O	300
+CC(C)(C)OC(N1CCC(CC1)(C)N2CCC(CC2)NC3C(CC#N)CCCC3)=O	87
+CC(C)(C)OC(=O)N1CCC(CC1)(C)N2CCC(CC2)=O	86
+CC(C)(C)OC(=O)N1CCC(CC1)(C2CCCCC2)C=O	24
+CC(C)(C)OC(=O)N1CCC(CC1)(COS(=O)(=O)C)C2CCCCC2	7
+CC(C)(C)OC(N1CCC(CC1)(CNC2CC2c3ccccc3)COCC4CCC4)=O	110
+CC(C)(C)OC(=O)N1CCC(CC1)(CCC=O)C(=O)OCC	465
+CC(C)(C)OC(N1CCC(CC1)(CCCNc2ccc(nc2C)N3CC(CC3)N4CCCC4C)C(=O)OCC)=O	839
+CC(C)(C)OC(N1CCC(CC1)(CCO)C#N)=O	35
+C1CC(CCN1)(C(=O)OCC)CCOc2ccccc2	2
+C1CNCCC1(C2CCCCC2)CN=[N+]=[N-]	2
+FC(F)(F)CNCC1(CCNCC1)CO	2
+CC(C)(C)OC(N1CCC(CC1)(COS(=O)(=O)C)CCC=C)=O	7
+CC(C)(C)OC(N1CCC(CC1)(NC(=O)OCc2ccccc2)CF)=O	559
+C1CNCCC1(C(Nc2cccc(OC(N(C)C)=O)c2)=O)COC	2
+CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)COC	3
+CC(C)(C)OC(=O)N1CCC(CC1)(C=O)COCC2CCC2	24
+CC(C)(C)OC(=O)N1CCC(CC1)(COCC2CCC2)CO	118
+CC(C)(C)OC(=O)N1CCC(CC1)(CN=[N+]=[N-])C2CCCCC2	133
+CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)Cc2c(cccc2)C	210
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)CNC3CC3c4ccccc4	110
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)C=O	24
+C1CNCCC1(O)Cn2c3c4c(cccc4)ncc3nc2COCC	2
+C1CNCCC1(Cn2ncc(-c3cnc(c(OC(C)c4c(ccc(F)c4Cl)Cl)c3)N)c2)O	2
+CC(C)(C)OC(N1CCC(CC1)(CN)F)=O	45
+CC(C)(C)OC(N1CCC(CC1)(F)CNC(N)=S)=O	7234
+CC(C)(C)OC(=O)N1CCC(CC1)(C)N2CCC(CC2)O	2784
+CC(C)(C)OC(=O)N1CCC(CC1)(C(OCC)=O)N	1388
+CC(C)(C)OC(=O)N1CCC(CC1)(NC(OCc2ccccc2)=O)C(N)=O	83
+CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)N)N	334
+CC(C)(C)OC(=O)N1CCC(CC1)(N(Cc2c(cc3ncnc(c3c2)Nc4c(c(ccc4)Cl)F)OC)C)C(N)=O	7235
+CC(C)(C)OC(N1CC=C(CC1)c2c(C)cccc2F)=O	252
+CC(C)(C)OC(=O)N1CCC(c2ccc(cc2)Oc3ccccc3)=CC1	252
+CC(C)(C)OC(=O)N1CCC(c2cccc(c2F)F)=CC1	252
+CC(C)(C)OC(=O)N1CCC(CC1)(OC)c2n(C)ccn2	76
+C1CC(CCN1)(OC)C	2
+C1CNCCC1(OC)c2n(C)ccn2	2
+CC(C)(C)OC(N1CCC(CC1)(COc2cc(ccc2)OC)c3ccc(cc3)Br)=O	8
+CC(C)(C)OC(N1CCC(CC1)(CO)c2ccc(cc2)F)=O	21
+CC(C)(C)OC(N1CCC(CC1)(CO)c2ccccc2)=O	21
+CC(C)(C)OC(N1CCC(CC1)(c2scc(n2)-c3c(c4c(cc3)N(C(C)CC4)C(OC)=O)OC5CCC5)O)=O	7236
+CC(C)(C)OC(N1CCC2(CC1)ON=C(C(=O)OCC)C2)=O	7237
+CC(C)(C)OC(N1CCC2(CC1)ON=C(C2)Cc3ccccc3)=O	7238
+CC(C)(C)OC(N1CCC(CC1)=C(c2ccc(cc2)C(N(CC)CC)=O)c3c(O)cccc3)=O	7239
+Fc1cc(cc(F)c1)C#CC=C2CCNCC2	2
+CC(C)(C)OC(=O)N1CCC2(CC1)C(C(OCC)=O)C2	7240
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(Oc3ccc(C4CC4)cn3)ccc2	940
+C1CCN(C1)c2cnc(Oc3cc(C=C4CCNCC4)ccc3)cc2	2
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(Oc3ccc(cn3)OC(C)C)ccc2	7241
+CC(C)Oc1ccc(Oc2cc(C=C3CCNCC3)ccc2)nc1	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc3cnc(cc3c2)Cl	4096
+CC(C)(C)OC(N1CCC(CC1)C#Cc2c(nc(C)nc2Cl)N)=O	2516
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(COCc3ccccc3)on2	4097
+C1CC(CCN1)C(N2Cc3c(CC2)cc(OC)c(OC)c3)=O	2
+CC(C)(C)OC(N1CCC(CC1)C(CN2CCN(CC2)c3ccc(cc3)S(=O)(=O)C)=O)=O	3933
+CC(C)(C)OC(N1CCC(CC1)c2nc(CCl)cs2)=O	7242
+CC(C)(C)OC(=O)N1CCC(CC1)c2sc(-c3nc(ncc3)Cl)c(n2)-c4cccc(c4F)NC(OCC=C)=O	873
+CC(C)(C)OC(=O)N1CCC(CC1)c2sc(c(n2)-c3cccc(NC(=O)c4c(cccc4F)F)c3)-c5nc(ncc5)Cl	873
+FC(F)(F)c1ccccc1CNC(C2CCNCC2)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(O)c3c(cccc3-c4ccccc4)n2	1677
+CC(C)(C)OC(=O)N1CCC(CC1)c2[nH]c3ccc(cc3n2)-c4cn(c5cc(F)ccc45)S(=O)(=O)c6ccccc6	791
+CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(c2cc(c(Cl)cc2)Cl)CC	988
+C1CNCCC1C(=O)Nc2ccc(cc2)C(C)C	2
+CC(C)(C)OC(N1CCC(CC1)C(OC)c2ccccc2)=O	76
+CC(C)(C)OC(N1CCC(CC1)C(c2ccc(cc2)Br)Oc3cccc(Cl)n3)=O	91
+C1CC(CCN1)C2(C)Oc3ccc(cc3C2)Br	2
+CC(C)(C)OC(=O)N1CCC(CC1)C2C(C2)COCc3ccc(SC)cn3	7243
+C1CNCCC1C2COC2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(c(nc(n2)SCc3cc(C)ccc3C)O)C#N	3896
+CC(C)(C)OC(=O)N1CCC(CC1)C=2n3nc4c(c(ccc4)-c5c(OCC)cccc5)c3NC(C=2)=O	7244
+CC(C)(C)OC(=O)N1CCC(CC1)C=2NC(=S)NC(C=2C#N)=O	3700
+CC(C)(C)OC(N1CCC(CC1)CNC2C(C2)c3ccc(cc3)Br)=O	110
+FC(F)(F)c1cn(CC2CCN(CC2)C(=O)OC(C)(C)C)c3c1c(ncn3)Cl	4098
+CC(C)(C)OC(N1CCC(CC1)COc2cccc(Oc3c(N)cc4c(c3)N(C(=O)N4C)C)c2)=O	8
+CC(C)(C)OC(=O)N1CCC(CC1)COc2c3c(c(nc2)Cl)nc(-c4c(N)non4)n3CC	2448
+C1CNCCC1CC#Cc2c3c(c(nc(CCCC)n3)N)n(COCc4ccccc4)c2	2
+O=S(=O)(c1ccc(cc1)NC(CC2CCNCC2)=O)C	2
+C1CC(CCN1)CC(C)(C)C(OC)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)CC(C)(C)C(OC)=O	1389
+CC(C)(C)OC(N1CCC(CC1)CC(=O)N(C2CCNCC2)CC)=O	62
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)N2CC(C(=O)NCCC(O)=O)CCC2	4
+CC(C)(C)OC(=O)N1CCC(CC1)CC(C)C(=O)OC	2544
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C2)C(NC(CC(O)=O)c3ccc(cc3)OCCF)=O)=O	4
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C(=O)NC(CC(OC)=O)c3ccc(cc3)OCCF)C2)=O	116
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C2)C(=O)ON3C(CCC3=O)=O)=O	884
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C(NC(c3ccc(cc3)O)CC(OC)=O)=O)C2)=O	9
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C(NC(c3cc(F)cc(Br)c3)CC(=O)OC)=O)C2)=O	1280
+C1CC(CCN1)CCCC(N)=O	2
+C1CC(CCN1)CCCC(OCC)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)CCCC(=O)N	2125
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCNC(c2cc3cnccc3[nH]2)=O	81
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCN	45
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCN2C(c3c(cccc3)C2=O)=O	332
+C1CC(CCN1)CCCN2C(=O)c3c(N=C2C)c(OC)ccc3	2
+CC(C)(C)OC(=O)N1CCC(CC1)CCCOc2cccc(c2)CC(O)=O	4
+C1CNCCC1CCNC(=O)C=C	2
+C1CNCCC1CCOc2c(cc3c(c2)nccc3Oc4ccc(c(Cl)c4)NC(NC5CC5)=O)C#N	2
+C1CNCCC1CCOc2cc(F)cc(Nc3ccc(I)cc3F)c2[N+](=O)[O-]	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)C2=Cc3c(C)cccc3N(C(C)C)C2=O	3900
+CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)Nc2c([N+](=O)[O-])ccc(c2)-c3cccs3	675
+CC(C)(C)OC(N1CCC(CC1)CNc2c(cnc(Br)c2)[N+]([O-])=O)=O	105
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(ccc2)Cl	250
+FC(F)(F)Cc1sc2ncnc(NCC3CCN(CC3)C(=O)OC(C)(C)C)c2c1	1108
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ncc3c([nH]nc3-c4ccnc(SC)n4)n2	96
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(nc3n2ncc3Br)-c4c(Cl)cccc4	1005
+CC(C)(C)OC(=O)N1CCC(CC1)CNC(c2cc(C)n(Cc3cc(Cl)cc4cc(oc34)-c5ccc(cc5)Cl)n2)=O	81
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ccc(cc2)Cl	250
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ncnc(Cl)c2	40
+CC(C)(C)OC(N1CCC(CC1)CNc2ncc(cn2)Br)=O	96
+c1cc(ccc1N(C(CC)=O)CC2CCNCC2)Cl	2
+CC(C)(C)OC(=O)N1CCC(CC1)CN(C(OC(C)(C)C)=O)C2CC2c3ccc(cc3)C4CC4	365
+C1CNCCC1CN(CCC)C2CCc3ccc(cc3C2)[N+](=O)[O-]	2
+C1CNCCC1CN(c2cccc(Cl)c2)C(CC)=O	2
+CC(C)N1C(C(=Cc2c(C)cccc12)C(=O)NCC3CCNCC3)=O	2
+C1CC(CCN1)CNC(=O)Nc2c([N+](=O)[O-])ccc(c2)-c3cccs3	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2nc(ncc2C(N)=O)On3c4c(nn3)cccc4	1906
+CC(C)(C)OC(=O)N1CCC(CC1)CN(c2cccc(Cl)c2)C(CC)=O	192
+C1CNCCC1CNc2cc(nc3n2ncc3Br)-c4c(Cl)cccc4	2
+C1CC(CCN1)CNc2cc(ncc2Cl)Nc3ncc(C#N)nc3	2
+C1CC(CCN1)CNc2cc(ncc2N)Nc3ncc(C#N)nc3	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(ncc2N)Nc3ncc(C#N)nc3	13
+CC(C)(C)OC(=O)N1CCC(CC1)CN(C(CC)=O)c2ccc(cc2)Cl	192
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2c(cnc(Cl)n2)C(O)=O	6
+C1CC(CCN1)CNc2nc3c(C(=O)OC)cccc3[nH]2	2
+C1CC(CCN1)CNc2ncc3c(n2)[nH]nc3-c4ccnc(n4)NCc5cccc(Cl)c5	2
+n1cc(cnc1NCC2CCNCC2)-c3ccc(cc3)S(=O)(=O)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2nc3c(c(n[nH]3)-c4ccnc(n4)NCc5cccc(Cl)c5)cn2	306
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ncc3c(-c4ccnc(S(C)=O)n4)n[nH]c3n2	172
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(Nc3cnc(cn3)C#CCO[Si](C)(C)C(C)(C)C)ncn2	4099
+CC(C)(C)OC(N1CCC(CC1)COC(C(c2cccc(c2)O)(c3ccccc3)O)=O)=O	16
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(Br)cc4F	267
+CC(C)(C)OC(=O)N1CCC(CC1)Cn2ccc3cc(ccc23)Br	1854
+CC(C)(C)OC(=O)N1CCC(CC1)COC(=O)C(c2ccccc2)(O)c3cccc(OCc4ccccc4)c3	7245
+CC(C)(C)OC(N1CCC(CC1)COc2c(cnc(Nc3ncc(C#N)nc3)c2)[N+]([O-])=O)=O	2785
+C1CC(CCN1)COc2c3c(OC4CCOC4)cccc3on2	2
+C1CC(CCN1)COc2cc(ccc2)C(OC)=O	2
+C1CC(CCN1)COc2cc3c(c(Oc4ccc(c(F)c4)NC(NC5CC5)=O)ccn3)cc2C#N	2
+C1CC(CCN1)COc2cc3c(c(ncn3)Oc4cc5c(c[nH]c5cc4)C)cc2OC	2
+C1CN(CCC1COc2cc3c(cc2OC)c(ncn3)Nc4ccc(Br)cc4F)C	352
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cc3c(c(ncn3)Oc4cc5c(c[nH]c5cc4)C)cc2OC	185
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cc3ncnc(c3cc2OC)Nc4c5c(ncc4Cl)OCO5	73
+C1CC(CCN1)COc2cc3ncnc(c3cc2OC)Nc4c5c(ncc4Cl)OCO5	2
+C1CC(CCN1C)COc2ccc(cc2OC)C(=O)OCC	352
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cnc(-n3ccc4c3ccc(NC(=O)C(C)C)c4)cc2	4100
+C1CC(CCN1)COc2ccc3c(ncnc3Nc4[nH]nc(c4)CC(Nc5c(c(F)ccc5)F)=O)c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)Cc2cn(S(=O)(=O)c3ccccc3)c4ccc(F)cc24	367
+CC(C)(C)OC(N1CCC(CC1)CC2CCNCC2)=O	2126
+C1CC(CCN1)Cc2oc3c(ccc(c3)-c4c5c(cc(F)cc5)n(S(=O)(=O)c6ccccc6)c4)n2	2
+C1CC(CCN1)Cn2ccc3c2ccc(Br)c3	2
+C1CC(CCN1)N(Cc2c3c(nc(n3CC)-c4c(N)non4)cnc2)C(=O)C	2
+CC(C)(C)OC(N1CCC(CC1)N(C2(CC2)C3CCN(C3)Cc4ccccc4)Cc5ccccc5)=O	4101
+CCN(CC)C(=O)N(C1CCNCC1)C2CCCCC2	2
+c1cc(ccc1S(=O)(=O)C)-c2ccc(CN(C3CCNCC3)C)cn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)N(c2cc(Cl)cc(C(=O)O)c2C)CC	1
+C1CNCCC1N(Cc2c(Cl)nc(Cl)s2)CC(C)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)N(C(=O)C2CN(Cc3ccccc3)CC2)Cc4ccccc4	7246
+CC(C)(C)OC(=O)N1CCC(CC1)N(c2cc(Cl)cc(C(NCc3c(nc(C)cc3C)O)=O)c2C)CC	14
+C1CC(CCN1)N(CC)c2c(C)c(C(NCc3c(nc(C)cc3C)O)=O)cc(Cl)c2	2
+CC(C)(C)OC(N1CCC(CC1)N2C(N(Cc3onc(CC)n3)c4c(sc(Br)c4)C2=O)=O)=O	7247
+C1CCC2(C1)C(=O)N(C3CCNCC3)N=C2c4cc(c(OC)cc4)OC	2
+c1cc(ccc1)COc2ccc3c(C(=O)N(C(=O)N3C4CCNCC4)Cc5ccc(OC)c(c5)OC)c2	2
+C1CNCCC1N2C(NC(=O)c3cc(ccc23)OCC(F)F)=O	2
+C1CN(CCC1N2C3CCCCC3OCC2=O)C4CCNCC4	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2CCNC(C2)C(=O)N3CCOCC3	679
+CC(C)(C)OC(=O)N1CCC(CC1)N2c3c(cc(cc3)-c4nnn[nH]4)Oc5c2cccc5	424
+C1CC(CCN1)N2c3c(NC2=O)cc(c(C)c3)F	2
+C1CC(CCN1)N2c3ccc(-c4nnn[nH]4)cc3Oc5c2cccc5	2
+CC(C)(C)OC(N1CCC(CC1)N2c3c(cccc3)N(CCN(C)C)C2=O)=O	4102
+CC(C)(C)OC(=O)N1CCC(CC1)N(c2ncccc2)C	323
+CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c2c(-c3[nH]c4c(n3)ccc(C(O)=O)c4)n[nH]c2C	6
+C1CNCCC1NC(c2cc(ccc2)OC(C)(C)C(OCC)=O)=O	2
+C1CC(CCN1)NC(=O)c2cc3ccccc3n2Cc4cc(on4)-c5ccc(Cl)s5	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(=O)Nc3cc(Br)sc3C2=O	7248
+FC1(F)C(N(c2c(nc(nc2)Nc3ccc(cc3)C(NC4CCNCC4)=O)N(C1)C5CCC5)C)=O	2
+FC(F)(F)c1c(cccc1Cl)CN(CC(C)C)C2CCN(CC2)C(=O)OC(C)(C)C	131
+CC(C)(C)OC(=O)N1CCC(CC1)N(Cc2ccc(cc2Cl)S(=O)(=O)C)CC(C)C	48
+CC(C)(C)OC(=O)N1CCC(CC1)N(Cc2c(Cl)nc(Cl)s2)CC(C)C	2075
+c1cc(ccc1)OCC(O)CNC2CCNCC2	2
+CC(C)(C)OC(=O)N1CCC(CC1)NCCc2c(cccc2)N	0
+CC(C)(C)OC(=O)N1CCC(CC1)N(C(=O)C)Cc2c3c(nc(n3CC)-c4c(N)non4)cnc2	58
+CC(C)(C)OC(=O)N1CCC(CC1)N(S(=O)(=O)C)Cc2cc(ccc2F)-c3ccnc(n3)Cl	112
+CC(C)(C)OC(N1CCC(CC1)N(Cc2ccc(cc2)[N+]([O-])=O)C(c3ccc(cc3)CCCCC)=O)=O	115
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc3c(ncnc23)Cl	7249
+CC(C)(C)OC(N1CCC(CC1)n2cnc3cnccc23)=O	919
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ncc(-c3cc4ccccc4cc3)cc2[N+](=O)[O-]	89
+C1CNCCC1Nc2nc(NCCCN(C)C)nc3ccccc23	2
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2cc(-c3cc4ccccc4n3Cc5ccccc5)nn6c(nnc26)C	190
+C1CNCCC1Nc2cc(-c3cc4ccccc4n3Cc5ccccc5)nn6c(nnc26)C	2
+C1CC(CCN1)Nc2ccc(c(N)n2)C(=O)c3c(F)cccc3	2
+C1CNCCC1Nc2ccc(cc2)F	2
+CC(C)(C)OC(N1CCC(CC1)N(c2ccc(cc2)SC)Cc3ccnc(-c4cc(OC)c(c(OC)c4)OC)c3)=O	2786
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(N)cncc2	13
+C1CNCCC1Nc2nc(NCCO)nc(n2)OC	2
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c3ccccc3nc(NCCCN(C)C)n2	798
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(N)cc(-c3ccc4c(c3)cccc4)cn2	13
+C1CC(CCN1)Nc2cc(c(cn2)Cl)-c3nc(ccc3)NCc4cc(F)ccc4	2
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(-c3nc(F)ccc3)c(cn2)Cl)=O	7250
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(c(cc(Cl)c2)C(OC)=O)C	20
+FC(F)(F)CCCc1c2c(cnc1)ccc(OC3CCN(CC3)C(=O)OC(C)(C)C)c2	20
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc3CCC(=O)Nc3c2	20
+CC(C)(C)OC(N1CCC(CC1)Oc2cc3n(-c4cc(OC(C)c5ccccc5Cl)c(C(OC)=O)s4)cnc3cc2)=O	419
+CC(C)(C)OC(=O)N1CCC(CC1)OS(=O)(=O)C	7
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(nc2-c4nonc4N)cccc3	7251
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(c3ccncc3cc2)[N+]([O-])=O	57
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ncc(cc2)[N+](=O)[O-]	91
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc3c(OC(C(=O)N3)C)cc2	419
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3c(cc(c2)CC(OC)=O)ccc(F)c3	20
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(c(c2)[N+](=O)[O-])OCC(OC)=O	419
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(Br)cc(cc2)F	419
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2sc3cc(ccc3n2)Br	3903
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(F)cc2F	20
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cnc(cc2)Cl	981
+CC(C)(C)OC(N1CCC(CC1)Oc2ncc(c3ccccc23)[N+](=O)[O-])=O	91
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cccc3ccc(-c4n5ccc(cc5nc4)OCCOC)nc23	3785
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(ccc2Br)F	419
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ncc(cc2)Br	640
+CC(C)(C)OC(=O)N1CCC(CC1)OC(Nc2c(cc(F)cc2)Br)=O	7252
+CC(C)(C)OC(=O)N1CCC(CC1)OCC2CCN(Cc3ccccc3)C2	967
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc3CC4(CCN(CC4)Cc5ccccc5)Cc3c2)=O	20
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3cnn(c3ncn2)-c4ccc(cc4)S(=O)(=O)C	2557
+CC(C)(C)OC(N1CCC(CC1)Oc2cc(OCC)cc(c2F)C(Nc3ccc(cc3)C#N)C(=O)OCC)=O	20
+CC(C)(C)OC(=O)N1CCC(CC1)OS(=O)(=O)c2ccc(cc2)C	36
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)[N+]([O-])=O	57
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)I	57
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)I	20
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc(cc2)N3C(C)=Nc4ccccc4C3=O)=O	20
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)-n3c(nc4cnccc34)-c5nonc5N	20
+CC(C)(C)OC(=O)N1CCC(CC1)Sc2ccc(cc2)O	4103
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(Br)cc3C(=O)N(Cc4ccc(cc4)OC)C=Cc3c2	57
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3cc(I)ccc3ncc2	260
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3c4c(n(S(=O)(=O)c5ccccc5)c3cnc2C#N)ncc(c4)Br	7253
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ncnc(Cl)c2	145
+c1ccccc1COc2c(Cl)cc(cc2)-c3cc(F)ccc3NC(=O)OC4CCNCC4	2
+CC(C)(C)OC(=O)N1CCC(CC1)OC(=O)Nc2ccc(F)cc2-c3ccc(OCc4ccccc4)c(Cl)c3	11
+C1CN(CCC1OC2=CC(N(c3c(cc(C#N)cc3)F)C=C2)=O)C(=O)OC(C)C	4104
+CC(C)(C)OC(=O)N1CCC(CC1)OCC#N	143
+CC(C)(C)OC(=O)N1CCC(CC1)OCCN2CCCCC2	15
+CC(C)(C)OC(=O)N1CCC(CC1)OCC(=O)N	83
+C1COCCN1C(=O)COC2CCNCC2	2
+C1CC(CCN1)OCC2CC2	2
+CC(C)(C)OC(=O)N1CCC(CC1)OCC2CCNC2	25
+CC(C)(C)OC(N1CCC(CC1)OCCCCCOC)=O	176
+C1CNCCC1OCCN2CCCCC2	2
+CC(C)(C)OC(N1CCC(CC1)n2cnc(C=O)c2)=O	7254
+CC(C)(C)OC(=O)N1CCC(CC1)n2nc(-c3ccccc3)cc2	1647
+CC(C)(C)OC(N1CCC(CC1)Oc2cc(ncc2)O)=O	624
+C1CNCCC1Oc2ccc(F)cc2Br	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(c(cc(Cl)c2)C(NCc3c(O)cc(C)nc3C)=O)C	14
+C1CNCCC1Oc2c(F)cc(cc2F)C3=NNC(=O)CC3	2
+C1CC(CCN1)Oc2cc(Cl)cc(C(NCc3c(O)cc(C)nc3C)=O)c2C	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(C)c(C(O)=O)cc(c2)Cl	1
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(F)cc(cc2F)C3=NNC(=O)CC3	4105
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(F)ccc2C(=O)Nc3c(cccc3)C(Nc4ccc(Cl)cn4)=O	67
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(ccc(F)c2)C(O)=O	1
+C1CNCCC1Oc2c3c(cc(c2)CC(OC)=O)ccc(F)c3	2
+O=S(=O)(n1c2c(cc(cn2)Br)c3c(c(C#N)ncc13)OC4CCNCC4)c5ccccc5	2
+C1CNCCC1Oc2c3cc(C=C4C(=O)NC(S4)=N)ccc3ncc2	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3cc(C=C4C(=O)NC(S4)=N)ccc3ncc2	7255
+O=S(=O)(c1ccc(cc1)-n2ncc3c(OC4CCNCC4)ncnc23)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(C=O)cc(Br)c2	39
+C1CC(CCN1)Oc2cc(C)c(c(C)c2)-c3cc(ccc3)COc4cc5OCC(CC(OC)=O)c5cc4	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(Br)cc(c2)C#N	1308
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(C=NO)cc(c2)Br	135
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(Br)cc(CO)c2	49
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(cc(Br)c2)C(=O)O	1
+C1CNCCC1Oc2c(Br)ccc(c2)F	2
+C1CC(CCN1)Oc2cc3c(OC(C(=O)N3)C)cc2	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc3c(c2)c4n(c(COCC)nc4c(N)n3)CCC	445
+C1CS(=O)(=O)CCN1C(=O)c2n(c3c(cc(cc3)OC4CCNCC4)c2)C(C)C	2
+C1CC(CCN1)Oc2ccc(F)cc2F	2
+C1CNCCC1Oc2ccc(cc2)-n3c(nc4cnccc34)-c5nonc5N	2
+c1cc(ccc1-n2cc(C(N3CCCC3)=O)cn2)OC4CCNCC4	2
+C1CNCCC1Oc2ccc(cc2)-n3ncc(C(OCC)=O)c3	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)-n3ncc(C(OCC)=O)c3	568
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc(cc2)N3CCN(C(=O)OCc4ccccc4)CC3=O)=O	883
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc(cc2)NCc3cc4c(cc3)ccc(C#N)c4)=O	208
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc(cc2)NC(=O)C3CN(C3)C(OCc4ccccc4)=O)=O	33
+c1cc(ccc1NC(=O)C2CN(C2)c3cnccc3)OC4CCNCC4	2
+C1CNCCC1Oc2ccc(cc2)S(=O)(=O)N(C3CCC3)c4cccc(F)c4	2
+c1cc(ccc1[N+]([O-])=O)OC2CCNCC2	2
+C1CC(CCN1)Oc2ccc3CCC(=O)Nc3c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc3c(cc2)[n+](c(c4nc(COCC)n(c34)CCC)N)[O-]	574
+C1CC(CCN1)Oc2ccc3c(c4n(c(COCC)nc4c(N)n3)CCC)c2	2
+C1CC(CCN1)Oc2cccc3ccc(-c4n5ccc(cc5nc4)OCCOC)nc23	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(-n3c4c(cc3)cc(cc4)C(NCCO)=O)nc2	4100
+CC(C)(C)OC(N1CCC(CC1)Oc2ncc(cc2)-c3ccc(cc3)F)=O	89
+C1CNCCC1Oc2ccc(cn2)[N+](=O)[O-]	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(N)ncn2	266
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(ncn2)N3CCc4nc(ccc34)Cl	7256
+C1CC(CCN1)Oc2sc3cc(ccc3n2)Br	2
+CC(C)(C)OC(=O)N1CCC(CC1)S(=O)(=O)Nc2ccc3c(c2)CCN(C3)C(=O)COc4cnccc4	80
+C1CC(CCN1)S(=O)(=O)Nc2ccc3c(c2)CCN(C3)C(=O)COc4cnccc4	2
+C1CC(CCN1)Sc2ccc(cc2)OCc3cccc(F)c3	2
+C1CN(CCN1C)c2cc(nc(SC3CCNCC3)n2)Nc4ncc(C#N)s4	2
+C1CC(CCN1)Sc2ncnc(Cl)c2C	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc3ccc(-c4c[nH]c5c4ccc(c5)F)cc3[nH]2	741
+C1CC(CCN1)c2cc(OC)ccc2Br	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(cccc2)COc3c(F)cc(cc3F)F	885
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccccc2N(S(=O)(=O)C)C	418
+c1ccccc1COC(=O)Nc2ccc(C3CCNCC3)c(OC)c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3ccc(cc3n(c2CC)-c4ccccc4)F	2787
+C1CNCCC1c2nc(nc(c2C#N)O)SCc3cc(C)ccc3C	2
+c1ccccc1COC(Nc2ccc(c(c2)C3CCNCC3)C)=O	2
+CC(C)(C)OC(N1CCC(CC1)c2ccccc2CO)=O	49
+C1CC(CCN1)c2ncnc3c2C(C)CC3	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3ccc(OCCO)cc3ncn2	724
+C1CC(CCN1)c2c3c(c(C(N)=O)cc(-c4c(cc(F)cc4)F)c3)[nH]c2	2
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+CC(C)(C)OC(=O)N1CCC(CC1)c2c3ccc(cc3ncn2)OCCOS(=O)(=O)C	7
+C1CNCCC1c2c3c(cc(cc3)F)n(c2CC)-c4ccccc4	2
+C1CNCCC1c2c[nH]c3c(cc(Br)cc23)C(N)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3cc(-c4c(cc(F)cc4)F)cc(c3[nH]c2)C(N)=O	11
+C1CC(CCN1)c2c3cc(ccc3[nH]c2)C#N	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(nc(n2)C3CC3)-c4cnc(N)c(OC(F)F)c4	7257
+CC(C)(C)OC(=O)N1CCC(CC1)c2cccc(NC(CC)=O)c2	26
+C1CNCCC1c2cc(nc(Nc3nccc(c3)C)c2)N(CCO)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(c(nc2)Cn3ccc4cc([N+](=O)[O-])cc(F)c34)F	7258
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(ccc(NC(OCc3ccccc3)=O)c2)C	90
+FC(F)Oc1cc(-c2nc(nc(C3CCNCC3)c2)C4CC4)cnc1N	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc3c(cc2C(=C)C)OCC4=NNC(=O)C(N34)C	7259
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C(C)C)cc3OCC=4N(C(C)C(=O)NN=4)c3c2	1382
+O=S(=O)(c1ccc(c(c1)F)-c2ncc3c(cc(o3)C4CCNCC4)c2)C	2
+C1CC(CCN1)c2ccc(cc2)C(C)C(NC3CC3)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)C(C(=O)O)C	4
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)NC(Nc3ccccc3Oc4n(-c5ccccc5Cl)nc(c4)C)=O	124
+c1cc(ccc1C2CCNCC2)NC(Nc3ccccc3Oc4n(-c5ccccc5Cl)nc(c4)C)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(OC)cc(NC(OCc3ccccc3)=O)cc2	90
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cn2)Nc3nc(c(cn3)C)CCc4ccccc4CC(=O)N	83
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cn2)Nc3nc(CCc4ccccc4CC(=O)O)c(cn3)C	4
+C1CC(CCN1)c2ncc(Nc3nc(c(cn3)C)CCc4ccccc4CC(=O)N)cc2	2
+C1CC(CCN1)c2cccc(NC(=O)C(C)C)c2	2
+C1CC(CCN1)c2cc(NC(CC)=O)ccc2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(NS(=O)(=O)C)cccc2	80
+CC(C)(C)OC(=O)N1CCC(CC1)c2cn(c3ncc(NC(=O)c4cccc(C#N)c4)c(c23)C)C	660
+C1CC(CCN1)c2c3c(C)c(cnc3n(C)c2)NC(=O)c4cccc(C#N)c4	2
+C1CNCCC1c2cnc(C(OC)=O)cn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cnc(cc2)COc3ccc(cc3)S(=O)(=O)C	885
+C1CC(CCN1)c2ccc(nc2)COc3ccc(cc3)S(=O)(=O)C	2
+C1CC(CCN1)c2sc(c(-c3c(c(NS(=O)(=O)c4cocc4)ccc3)F)n2)-c5ccnc(N)n5	2
+c1ccccc1NC(=O)c2ccc(cc2)-c3nc(ccc3C(N)=O)C4CCNCC4	2
+C1CNCCC1c2n(c(c(-c3ccc(cc3)OC)n2)-c4ccc(cc4)OC)CC(=O)OC	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(cn2CCN3CCC3)-c4cc(c(cc4)F)C	1234
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(Br)cn2CCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(Nc3ncc(cc3Sc4ccccc4Cl)Oc5ccc(cc5)C=O)sn2	146
+c1cc(ccc1C=O)Oc2cc(c(nc2)Nc3nc(C4CCNCC4)ns3)Sc5ccccc5Cl	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(-c3ccc(cc3)C(Nc4ccccc4)=O)c(C(N)=O)cc2	67
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(c(C(N)=O)cc2)-c3ccc(cc3)C(O)=O	1
+c1cc(ccc1)C(N(C)C(c2csc(C3CCNCC3)n2)=O)CC	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(-c3cnc(N)c(c3)OC(F)F)nc(Cl)n2	2788
+C1CC(CCN1c2ncc(cn2)CC)c3nc(no3)COc4ccc(cc4)S(=O)(=O)C	4106
+C1CC(CCN1)c2nc3cc(ccc3[nH]2)-c4c[nH]c5c4ccc(c5)F	2
+C1CN(CCC1c2nc3ccc(c4OCC(c5ncccc5)n2c34)-c6c(noc6C)C)C(=O)C	4107
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cn2)Nc3nc(CCc4ccccc4CC(OC)=O)c(cn3)C	801
+C1CNCCC1c2oc(-c3cc(-c4cc(OC)ccc4)cnc3N)nn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc(COCc3c(N)ccc(Cl)c3)nn2	7260
+c1cc(ccc1)Cc2[nH]c(C3CCNCC3)nn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nnc(-c3cc(-c4cc(OC)ccc4)cnc3N)o2	89
+C1CC(CCN1)c2oc(C)nn2	2
+CC(C)(C)OC(N1CCC(CC1)c2oc3c(cc(cc3n2)-c4ccc(cc4F)S(=O)(=O)C)F)=O	492
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc3c(cnc(-c4ccc(cc4F)S(=O)(=O)C)c3)o2	140
+C1CNCCC1c2onc(Cc3cccnc3)n2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(-c3c(c(NS(=O)(=O)c4cocc4)ccc3)F)c(-c5ccnc(N)n5)s2	911
+CC(C)(C)OC(=O)N1CCC(CC1)c2sc(c(n2)-c3cccc(c3F)N)-c4nc(ncc4)Cl	2087
+CC(C)(C)OC(=O)N1CCC(CC1)c2sc(-c3nc(ncc3)Cl)c(n2)-c4c(c(NS(=O)(=O)c5cocc5)ccc4)F	4108
+C1CC(CCN1)n2c(c(cn2)-c3cnc(N)c(-c4oc5c(n4)cccc5)c3)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c(C)c(cn2)-c3cnc(N)c(-c4oc5c(n4)cccc5)c3	4109
+C1CC(CCN1)n2nnc3c(N4CCOCC4)nc(nc23)-c5cc(ccc5)O	2
+C1CNCCC1n2nnc3c(N4CCOCC4)nc(-n5c6cccc(c6nc5C(F)F)OC)nc23	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3nc(-c4ccc(cc4)NC(=O)NCCN(C)C)nc(c3nn2)N5CCOCC5	675
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(cn2)c(nc(-c4ccc(cc4)N)n3)N5CC6CCC(C5)O6	0
+c1ccccc1Oc2c3cnn(c3ncn2)C4CCN(CC4)C(OC(C)C)=O	4104
+C1CC(CCN1)n2c3c(cccc3)nc2-c4nonc4N	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3ccc(cc3cn2)OCC(OCC)=O	52
+c1cc(ccc1-c2nc(c3nnn(c3n2)C4CCNCC4)N5CCOCC5)NC(=O)NCCN(C)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(cn2)c(N4CC5CCC(C4)O5)nc(-c6ccc(cc6)[N+](=O)[O-])n3	345
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(c(N4CCOCC4)nc(-c5cc(ccc5)O)n3)nn2	345
+C1CC(CCN1)n2ncc3c(Oc4cccnc4C)ncnc23	2
+C1CC(CCN1)n2cc(-c3cc(-c4nc5c(c(C(NC)=O)ccc5)o4)c(nc3)N)cn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3cc(-c4nc5c(c(C(NC)=O)ccc5)o4)c(nc3)N)cn2	1036
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3cc(-c4nc5c(c(ccc5)C(O)=O)o4)c(nc3)N)cn2	1
+C1CNCCC1n2cc(-c3ccc4c(CCC(C)N4C(C5CC5)=O)c3OC6CCC6)cn2	2
+c1cc(ccn1)-c2c(-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F)nn(C5CCNCC5)c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc(-c3cnc4[nH]cc(c4c3)I)c2	1361
+FC(F)(F)c1cnc(Nc2cnn(C3CCN(CC3)C(=O)OC(C)(C)C)c2)nc1Cl	486
+CC(C)(C)OC(N1CCC(CC1)n2ncc(Nc3nc(CCc4ccccc4C(C(=O)N)C)c(Cl)cn3)c2)=O	486
+C1CC(CCN1)n2ccc(-c3ccccc3)n2	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc(c2)-c3cnc4c(c3)c(cn4S(=O)(=O)c5ccc(cc5)C)I	276
+C1CNCCC1n2ncc(c2)-c3nc(OC(C4CNC(=O)C4)C)c5c(nn(c5)C)c3	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3ncnc(Oc4cccnc4C)c3cn2	7261
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(cn2)c(Oc4ccccc4)ncn3	7262
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(=O)OC	282
+CC(C)(C)OC(N1CCC(CC1C(OC2CCCC2)=O)N)=O	273
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(Nc3c(cccc3)N)=O	33
+CC(C)(C)OC(=O)N1C(CC(Oc2c3c(c(-c4ccccc4)oc3ncn2)-c5ccc(cc5)OC)CC1)CCC(OC)=O	2741
+CC(C)(C)OC(=O)N1CCC(OC)CC1c2ccccc2OC	76
+CC(C)(C)OC(N1CCCC2(CO2)CC1)=O	2727
+C1NCCCC(NCCCCO)C1	2
+C(OC(=O)Nc1ccccc1Br)C2CNCC2	2
+CC(C)(C)OC(=O)N1CCC(=O)N(CC1)CCCC=O	571
+C(CCCN1CCNCCC1=O)N(CCC)C2CCc3ccc(OC)cc3C2	2
+c1cc(ccc1CN(C2CNCC2)CC(=O)NCC)Cl	2
+C1CC(CCN1C2(CN(C(OCCF)=O)CC2)C)N3c4ccccc4NC3=O	7263
+CC(C)(C)OC(N1CCC(C(C1)F)N)=O	18
+CC(C)(C)OC(=O)N1CCC(CC1C(O)=O)NC(=O)Nc2ccc(cc2)C#N	4
+CC(C)(C)OC(N1CCC(N(C)C(=O)c2ccc(cc2)Br)C(c3ccc(c(Cl)c3)Cl)C1)=O	497
+c1ccccc1C(=O)NC2C(OC)CNCC2	2
+O=S(=O)(NC1CCN(C#N)C1)c2cc([N+](=O)[O-])ccc2Br	7264
+CC(C)(C)OC(N1CCC(C(N)C1)O)=O	18
+CC(C)(C)OC(N1CC(CN=[N+]=[N-])C(O)CC1)=O	254
+C1CNC(CC1OC)c2ccccc2OC	2
+CC(C)(C)OC(N1CCC(O)C(C1)COc2nnc(CCCC)c(c2)-c3ccc(cc3)OC4CCCCC4)=O	1262
+CC(C)(C)OC(=O)N1CCC(Oc2c3c(cccc3cc(C=4NNC(=O)N=4)n2)Cl)C1	7265
+CC(C)(C)OC(=O)N1CCC(Oc2c3c(Cl)cccc3cc(C(=N)NN)n2)C1	7266
+c1cc(ccc1OC2CCNC2)F	2
+CC(C)(C)OC(=O)N1CC=C(CC1)c2cc(nc(Nc3cc(ccn3)C)c2)N(CCO)C	346
+c1cc(ccc1Oc2ccccc2)C3=CCNCC3	366
+C1=C(c2cccc(c2F)F)CCNC1	366
+CC(C)(C)OC(=O)N1CCC1CNC(c2cc(F)c(nc2NCCc3cccc(F)c3)-c4cnn(c4)C)=O	56
+c1(C(=O)NCC2NCC2)cc(F)c(nc1NCCc3cccc(F)c3)-c4cnn(C)c4	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)C(N)=S	199
+CC(C)(C)OC(=O)N1CCC2(CC(C2)C(N)=O)CC1	83
+C1CNCCC12CCN(C)C2=O	2
+c1cnn(n1)-c2c(cccc2)CN3C(=O)C4(CCNCC4)CCC3	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CC2C(O)=O	3
+c1cc(ccc1C)S(=O)(=O)n2cc(CN3C(C4(CCNCC4)CCC3)=O)c5ccccc25	2
+CC(C)(C)OC(N1CCC2(CCC(CC2)=O)CC1)=O	1678
+CC(C)(C)OC(=O)N1CCC2(CC1)CN(c3cc(F)c(N)cc3)C(C2)=O	0
+CC(C)(C)OC(=O)N1CCC2(CC(C2)C(O)=O)CC1	270
+CC(C)(C)OC(=O)N1CCC2(CC1)CC2C(N)=O	2789
+CC(C)(C)OC(N1CCC2(CC1)c3c(C(C(N(C)C)=O)=CC2)cccc3)=O	4110
+CC(C)(C)OC(=O)N1CCC2(CC1)c3c(cccc3)C(=NC(C)c4ccccc4)CC2	1529
+C1CC2(CCN1)N(C(CCC2)=O)Cc3cccc4n(S(=O)(=O)c5ccc(cc5)C)ccc34	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CCC(=O)c3c2cccc3	7267
+c1cc(ccc1C(=O)N2CC3(CCNCC3)CC2)-c4nc5cc(C#N)cc(c5o4)C(C)C	2
+C1CC2(CCN1)CCN(C2)c3ccc(S(=O)(=O)C)c(C)n3	2
+C1C2(CN1c3nc4ncccc4c(Nc5cc(n[nH]5)C)n3)CCNCC2	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CC(N(C2)c3ccc(-n4nnnc4)c(c3)F)=O	797
+CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)N(C2)c3ccc([N+](=O)[O-])c(c3)F	654
+C1CNCCC12CNC2=O	2
+c1ccccc1CC2C(N(Cc3ccccc3)C4(CCNCC4)N2)=O	2
+CC1(C)OB(OC1(C)C)c2cnn(CC3(CCN(CC3)C(OC(C)(C)C)=O)O)c2	2790
+CC(C)(C)OC(N1CCC(CC1)(O)CNCC)=O	122
+C1CC2(CCN1)c3c(cccc3)CS2=O	2
+C1CNCCC12OC(=O)Nc3ccccc23	2
+CC(C)(C)OC(=O)N1CCC2(CC1)S(Cc3c2cccc3)=O	441
+CC(C)(C)OC(=O)N1CCC2(CC2)CC1C(O)=O	4
+CC(C)(C)OC(=O)N1CCC2(CC1)CN(C2)c3nc4ncccc4c(Nc5cc(n[nH]5)C)n3	117
+CC(C)(C)OC(N1CCC2(CCCN2)C1)=O	25
+N1(C2CCCC1CNCC2)C(=O)CC	2
+CC(C)(C)OC(=O)N1CC2NC(CC1)CCC2	25
+CC(C)(C)OC(N1CCC=2C(C1)(COCC)Cc3cnn(c3C=2)-c4ccc(cc4)F)=O	481
+C1C(CC1)CN2C(C(c3cc(ccc3)Cl)=CC=4CNCCC2=4)=O	366
+CC(C)(C)OC(=O)N1CCC=2N(CC3CCC3)C(=O)C(=CC=2C1)c4cc(ccc4)Cl	3993
+CC(C)(C)OC(=O)N1CCC(CCC1)=C	7268
+CC(C)(C)OC(=O)N1CCCc2n[nH]c(c2C1)C(=O)OCC	2783
+CC(C)(C)OC(=O)N1CC(C(OCCN)c2cc(Cl)cc(F)c2)CCC1	51
+CC(C)(C)OC(=O)N1CC(CCC1)(Cc2ccc(cc2)C)CO	44
+CC(C)(C)OC(N1CCCC(C(N(OC)C)=O)C1)=O	164
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCCCN3C(C4CN(CCC4)C(OC(C)(C)C)=O)=O)=O	348
+c1cc(ccc1)Cn2cc(-c3cc4nccnc4c(NCC5CCCNC5)n3)cn2	2
+CC(C)(C)OC(N1CCCC(C1)Cn2c(c(Br)c3cnc(NCc4ccc(F)c(F)c4)nc23)-c5c(cccc5Cl)Cl)=O	96
+CC(C)(C)OC(N1CC(CNCc2ncc3c(c2)OCCO3)CCC1)=O	294
+CC(C)(C)OC(=O)N1CCCC(C1)CNC(=O)CCc2ncc(cn2)-c3ccc(c(OC)c3)OC	9
+CC(C)(C)OC(=O)N1CC(CCC1)CNc2c3nccnc3cc(n2)Cl	1679
+C1CN(CCC1C(=O)Nc2ccc(c(Cl)c2)Cl)CC3CCCNC3	2
+CC(C)(C)OC(=O)N1CC(CNc2nc(cc3ncccc23)Cl)(F)CCC1	2791
+CC(C)(C)OC(=O)N1CC(COc2c3cccnc3cc(n2)Cl)(F)CCC1	7269
+CC(C)(C)OC(=O)N1CCCC(C1)Nc2nc(N3CCOCC3)nc(OC)c2-c4nc5cc(Br)ccc5s4	3784
+CC(C)(C)OC(=O)N1CC(CCC1)Nc2c3c(nc(n2)Nc4ccc(cc4)N(C)C(=O)CC)n(C5OCCCC5)cn3	55
+C1NCCCC1Oc2ccccc2OCC	2
+n1n(c(nn1)-c2cc(cnc2N)C3=CCNCCC3)-c4cccc(c4F)F	366
+CC(C)(C)OC(N1C(C(=O)Nc2cc3c(cc2)n[nH]c3)C(CCC1)c4ccccc4)=O	33
+c1cc(ccn1)-c2c3c([nH]n2)ccc(-c4nc(C5CCCNC5)n(C)n4)c3	2
+CC(C)(C)OC(=O)N1CCCC(c2nc(-c3cc4c(-c5ccncc5)n[nH]c4cc3)nn2C)C1	7270
+c1cc(ccc1Oc2c(cccc2)F)-c3nn(c4c3c(N)ncn4)C5CNCCC5	2
+CC(C)(C)OC(=O)N1CC(n2c(-c3ccc(cc3)Oc4ccccc4)c(c(n2)N)C(N)=O)CCC1	3832
+CC(C)(Cc1c[nH]c(C2(Cc3ccc(cc3)-c4ccc(F)cn4)CCCN2)n1)CC	2
+CC(C)(C)OC(=O)N1C(c2nnn[nH]2)CCC1	420
+c1cc(ccc1)OCC(O)C2NCCC2	2
+CC(C)(C)OC(=O)N1CCCC1C#N	143
+CC(C)(C)OC(=O)N1C(CNc2ccc(cc2Oc3ccc(cc3)C#N)-c4ccccc4)CCC1	291
+CC(C)(C)OC(=O)N1C(CCC1)CNc2nc3n(ncc3I)cc2	1390
+CC(C)(C)OC(=O)N1CCCC1CNCCC	285
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)I)=O	450
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCc3ccccc3)=O	450
+CC(C)(C)OC(=O)N1C(CCC1)COc2ccc(cc2)Cc3ccccc3	450
+CC(C)(C)OC(=O)N1C(CCC1)COc2ccc(cc2)Oc3ccccc3	450
+CC(C)(C)OC(=O)N1CCCC1Cn2c3ccc(CO)cc3nc2NC(c4sc(C(F)F)cc4)=O	98
+FC(F)c1sc(C(=O)Nc2nc3c(ccc(CO)c3)n2CC4NCCC4)cc1	2
+c1c(C2NCCC2)cc(c(-c3nc4cccc(C(=O)N)c4[nH]3)c1)F	2
+CC(C)(C)OC(N1CCCCC1c2cc(-c3cccc(C#N)c3)on2)=O	7271
+CC(C)(C)OC(N1CCCCC1CC(=O)Nc2c(O)cccc2)=O	33
+CC(C)(C)OC(=O)N1C(CCNc2c(c(O)ccn2)NC(=O)Cc3cc(ccc3-n4cncn4)Cl)CCCC1	469
+CC(C)(C)OC(=O)N1CCCCC1CCNc2c(N)c(O)ccn2	13
+CC(C)(C)OC(=O)N1CCCN(c2nc(C(c3cccnc3N)=O)cc4c2cccc4)CC1	905
+c1cc(ccc1)-n2c3ccccc3c(C=O)c2N4CCNCCC4	2
+C1C2CCCN1c3ccc(nc3N2C(Nc4ccncn4)=O)N5CCCNCC5	2
+CC(C)(C)OC(=O)N1CCCN(c2ccc3c(N(C4CN3CCC4)C(=O)Nc5ccncn5)n2)CC1	2792
+CC(C)(C)OC(=O)N1CCCN(c2nc3c(C=C(c4nc5sccn5c4)C(O3)=O)cc2)CC1	7272
+CC(C)(C)OC(N1CCCN(c2nc3c(cccc3)n2CCOS(=O)(=O)C)CC1)=O	7
+CC(C)(C)OC(=O)N1CCCN(c2n(C)ncc2N)CC1	209
+c1(n(C)ncc1[N+]([O-])=O)N2CCCNCC2	2
+CC(C)(C)OC(=O)N1CCN(CCC1)C(=O)c2nn(-c3ccsc3)c4-c5cc(CC(C)C)c(OC)cc5OCc24	147
+CC(C)(C)OC(=O)N1CCN(c2c(Cl)cc(Cl)cc2)CCC1	79
+CC(C)(C)OC(=O)N1CCCN(CC1)c2ccc(c(n2)O)C=O	43
+CC(C)(C)OC(=O)N1CCCN(c2n(ncc2[N+](=O)[O-])C)CC1	959
+CC(C)(C)OC(=O)N1CCCN(c2ccc3c(n2)NC4CCCN3C4)CC1	43
+CC(C)(C)OC(N1CCN(CCC1)c2ccc(Br)cn2)=O	323
+CC(C)(C)OC(=O)N1CCCN(c2c(C=O)c3c(n2-c4ccccc4)cccc3)CC1	2646
+CC(C)(C)OC(N1Cc2c([nH]nc2CCC1)C(N3CCC(CC3)c4c(cccc4)C(F)(F)F)=O)=O	3411
+c1(nc2c(cc1)cc(C#N)cc2)N3C(CNCC3)=O	255
+CC(C)(C)OC(=O)N1CCN(C(=O)OC)CC1CCOc2ccccc2	20
+c1ccccc1OCCC2NCCN(C(=O)OC)C2	2
+CC(C)(C)OC(N1CCN(C(=O)OCc2ccccc2)C(C(Nc3ccc(cc3)Cl)=O)C1)=O	33
+c1cc(ccc1F)-c2ccc3c(c(nc(N)n3)N4CCN(C(=O)COc5ccc(cc5)Cl)CC4C)n2	1324
+CC(C)(C)OC(=O)N1CCN(c2ccc(nc2)N)C(CC)C1	161
+CC(C)(C)OC(N1CC(CNc2nc(Cl)cc3c2nccn3)N(CC1)C)=O	1679
+CC(C)(C)OC(=O)NC(C(C)C)C(N1CC(N(CC1)C(c2ccc(cc2)Cl)=O)C(=O)OC)=O	4083
+CC(C)(C)OC(N1CCN(CC1)C(NO)=N)=O	2001
+CCN(CC)CCN(C(=O)N1CCNCC1)Cc2ccc(cc2)Cl	2
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2cc(COS(=O)(=O)C)ccc2F)=O	7
+CC(C)(C)OC(N1CCN(CC1)C(c2c(Oc3c(C)ccc(F)c3)n(-c4ccccc4)c5cnc(cc25)OC)=O)=O	7273
+C1CNCCN1C(=O)c2cccc3c(c[nH]c23)CN4CCOCC4	2
+C1CN(CCN1)C(=O)c2ccc(cc2)NC(NCC3CC3)=O	2
+C1CN(CCN1)C(CC)C#Cc2cccc(c2)Cl	2
+O=C(OC)C(C(=O)OC)(CNC(c1ccc(cc1)OCC#CC)=O)N2CCNCC2	2
+CC(C)(C)OC(N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNS(=O)(=O)c2ccc(cc2)OCC#CC)=O	71
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	93
+C1CNCCN1C(=O)OCCCC	2
+CC(C)N1CCC(CC1)Oc2cc3c(cc2Cl)[nH]c(c3)C(N4CCNCC4)=O	2
+C1CN(CCN1)C(=O)c2ccc(cc2)-c3nc(-c4nc5cnccc5o4)c(N)nc3	2
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)C(=O)O	1
+c1cc(ccc1F)C(N2CCNCC2)C	2
+C1CNCCN1C(=O)c2ccc3n(c(c(C)n3)-c4ccccc4)c2	2
+C1CC1(C(=O)N2C(C(NC3(CC3)C#N)=O)CC(S(=O)(=O)c4ccccc4Cl)C2)N5CCNCC5	2
+C1CNCCN1C2CCC(CC2)(Cc3ccccc3C)OC	2
+C1CNCCN1CC#N	2
+c1cc(ccc1Oc2ccccc2)NC(=O)CN3CCNCC3	2
+C1CN(CCN1)CC(=O)c2ccc(cc2)F	2
+CC(C)(C)OC(=O)N1CCN(CC1)CC(O)c2ccc3C=Cc4c(cc(-c5cn(C)nc5)cn4)C(=O)c3c2	4111
+C1CN(CCN1)CC=2CC(C)(C)CCC=2c3ccc(cc3)Cl	2
+C1CN(CCN1)CC2=Nc3ccc(cc3C(N2c4ccccc4)=O)[N+](=O)[O-]	2
+CC(C)(C)OC(=O)N1CCN(CC1)CC2=C(c3ccc(cc3)Cl)CCC(C)(C)C2	7274
+CC(C)(C)OC(=O)N1CCN(CC1)CCn2ncc3cc(ccc23)Oc4ccc(cc4CN)F	107
+C1CC(CCC1)C(NC(c2c3c(ccc(F)c3)nc(-c4ccccc4)c2CN5CCNCC5)=O)C	2
+C1COCCN1C(=O)c2c(ccc(Cl)c2)CN3CCNCC3	2
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(C(O)=O)c3c(nc2-c4ccccc4)cccc3	1
+CC(C)(C)OC(N1CCN(CC1)Cc2c(cc(-c3cc(ncc3)C)cc2)F)=O	498
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c3OC(=Cc4c[nH]c5c4cccc5)C(=O)c3cc(Cl)c2O	2506
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2nc3c(ccc(F)c3)cc2C(C)Nc4ncnc(N)c4C#N	40
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(ccc3C(=O)C(=Cc4[nH]nc5c4cc(cc5)Cl)Oc23)O	4112
+CC(C)(C)OC(N1CCN(CC1)Cc2c(ccc3C(C(Oc23)=Cc4cn(c5ccccc45)S(=O)(=O)C)=O)O)=O	2506
+C1CNCCN1Cc2cc(ccc2N3CCCC3)Cl	2
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc3sc(-c4c(cccc4)N)nc3c2	0
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(Cl)cc2N3Cc4ncnn4CC3	79
+C1CN(CCN1)Cc2ccc(Cl)cc2N3Cc4ncnn4CC3	2
+c1cc(ccc1C2Nc3cccc4c3c(C2c5ccc(cc5)F)nnc4O)CN6CCNCC6	2
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCOc3ccc(cc3)C	20
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCO	35
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(cc(cc2)Cl)C(O)=O	1
+CN(C)c1cc(ccc1)C(=O)Nc2cccc(c2)-c3nc4c(ccc(CN5CCNCC5)n4)o3	2
+C1CNCCN1Cc2cccc3C(=O)C(Oc23)=Cc4n[nH]c5ncccc45	2
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cccc3C(=O)C(Oc23)=Cc4n[nH]c5ncccc45	4112
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc3c(nc(s3)-c4ccccc4NC(c5cccc(-c6[nH]nnn6)c5)=O)c2	67
+C1CN(CCN1)Cc2nc3c(ccc(F)c3)cc2C(C)Nc4ncnc(N)c4C#N	2
+CC(C)(C)OC(N1CCN(CC1)NC(=O)c2cc3ccccc3n2Cc4noc(c4)-c5ccc(Cl)s5)=O	2096
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2c(ccc(c2)[N+](=O)[O-])Oc3cc(ccc3Cl)Cl	415
+O=S(=O)(c1c(ccc(c1)[N+](=O)[O-])Oc2cc(ccc2Cl)Cl)N3CCNCC3	2
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2cc(ccc2Cl)C(N(C)C)=O	30
+C1CNCCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C	2
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)N	0
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(Cl)cc(cc2Cl)OCC=C(Cl)Cl	7275
+c1(cc(cc(Cl)c1N2CCNCC2)OCC=C(Cl)Cl)Cl	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(cnc2N)OCc3cccc(Cl)c3	1335
+CC(C)(C)OC(N1CCN(CC1)c2ccc(C(=O)OC)cc2I)=O	158
+C1CN(CCN1)c2ccc(C(NC3CC3)=O)cc2C	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(Cl)cc(cc2Cl)O	5
+CC(C)(C)OC(N1CCN(CC1)c2c(cccc2)-c3ccc(cc3)C=O)=O	11
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)CN(C)C	48
+C1CNCCN1c2ccccc2CN(C)C	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)NS(=O)(=O)C	80
+CC(C)(C)OC(N1CCN(CC1)c2ccccc2N(S(=O)(=O)C)C)=O	418
+C1CNCCN1c2nc(N)nc3-c4ccccc4OCCc23	2
+C1CNCCN1c2c3c(ccc(CCC(OC)=O)n3)ccc2	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(-c3nc4c(n3C)cccc4)c2	1652
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(c(-n3c(C)ccc3C)c2)N	0
+CC(C)(C)OC(N1CCN(CC1)c2cccc(c2)C(Nc3ccccc3N)=O)=O	67
+CC(C)(C)OC(N1CCN(CC1)c2cc(NC(CNc3cc(c(cc3)F)F)=O)c(cc2)Cl)=O	1391
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(ccc(c2)O)NC(c3c4ccccc4ccc3)=O	16
+C1CN(CCC1)CCCOc2ccc(N3CCNCC3)cc2F	2
+c1nc(ncc1)NC2c3c(N(C(=O)C)C(C4CC4)C2C)ccc(N5CCNCC5)c3	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(C(=O)c3cccnc3N)c4c(cccc4)c2	905
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(c(cc2)NC(=O)c3ccc(o3)C#N)-n4c(C)ccc4C	1129
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(Cl)c(c2)N	1497
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc3c(c2)cc(C(OCC)=O)o3	4113
+CC(C)CC(C(NCC#N)=O)Cc1ccccc1-c2ccc(cc2)N3CCNCC3	2
+C1CN(CCN1)c2ccc(cc2)-c3ccc(Cl)c(N4C(C(NCC#N)=O)CC(C4)C)c3	2
+FC(F)(F)c1ccc(nc1)C#Cc2cnc(cc2)N3CCN(CC3)S(=O)(=O)C	7276
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(nc(-c3cc(OC(C4CC(=O)NC4)C)c5scnc5c3)cc2)OC	4114
+C1CNCCN1c2cc(ccc2)-c3c(F)cc(F)cc3	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(c2)-c3ccnc4[nH]c5ccccc5c34	2070
+C1CN(CCN1)c2cccc(c2)C#N	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(C(=O)O)ccc2	6
+C1CNCCN1c2cc(ccc2)CN3C(CCCc4ccccc34)=O	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(B(O)O)c2	281
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(-c3c(F)cc(F)cc3)c2	11
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)N	0
+CC(C)(C)OC(N1CCN(CC1)c2c(Cl)c(Cl)ncc2)=O	395
+C1CNCCN1c2nc(cnc2N)OCc3cccc(Cl)c3	2
+c1cc(ccc1CCNc2nc(nc(n2)N(C)CCCc3ccc(cc3)Cl)N4CCNCC4)O	2
+c1cc(ccc1NC(=O)Nc2ccncc2)-c3nc(nc(N4CCNCC4)n3)N5CC6CCC(C5)O6	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc(N3CC4CCC(C3)O4)n2)-c5ccc(cc5)NC(=O)Nc6ccncc6	1680
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc3ccccc23)NC4CCN(C4)Cc5ccccc5	798
+c1ccccc1CC(=O)N2CC(CC2)Nc3nc4c(c(n3)N5CCNCC5)cccc4	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc3ccccc23)NC4CNCC4	25
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc3ccccc23)NC4CCN(C(=O)Cc5ccccc5)C4	58
+CC(C)(C)OC(=O)N1CCN(CC1)C=2C(=O)N(CCOc3c(cc(F)c(F)c3)F)c4ccccc4N=2	7277
+C1CNCCN1c2ccc(-c3cn4c(nc3)ncc4C5(CC5)c6cc7cccnc7cc6)cn2	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc3ccccc3c(C(=O)c4cccnc4F)n2	7278
+c1cc(ccc1Cl)-c2nccnc2N3CCNCC3	2
+C1CNCCN1c2nccnc2Cl	2
+CC(C)(C)OC(N1CCN(CC1)c2c3ncn(C)c3ncn2)=O	4115
+C1CN(CCN1)c2oc(C3CCC4N(C(=O)N3C4)OCc5ccccc5)nn2	2
+CC(C)(C)OC(=O)N1CCN(Cc2c(Cl)cc(cc2)N)CC1C	0
+CC(C)(C)OC(=O)N1CCN(c2ccc(nc2)NC3=CC(=CN(C3=O)C)Br)CC1C	523
+CC(C)(C)OC(=O)N1CCN(CC1CCOc2c(cccc2)F)C(OCc3ccccc3)=O	262
+CC(C)(C)OC(=O)N1C(CCn2cnc3c2cccc3)CN(C(=O)OCc4ccccc4)CC1	4088
+CC(C)(C)OC(N1C(CCn2c3ccccc3cn2)CN(CC1)C(=O)OCc4ccccc4)=O	7279
+CC(C)(C)OC(N1CCN(C(=O)OCc2ccccc2)CC1CCNc3ccc(cc3)C(=O)C)=O	2127
+CC(C)Cc1cc-2c(OCc3c(nn(-c4cscc4)c-23)C(=O)N5CCNCCC5)cc1OC	2
+N1(CCCNCC1)c2oc(nn2)C	2
+CC(C)C1COC(=O)N1c2nc(ncc2)NC(C)c3ccc(cc3)CN4CC(C)(C)NCC4	2
+CC(C)(C)OC(=O)N1CCNCC1CCO	25
+Clc1ccc(N2CCCNCC2)c(Cl)c1	2
+C1CC1N2C=C(C(OCC=C)=O)C(c3cc(F)c(c(c23)OC)N4CCNC(C4)C)=O	2
+c12c(c(OCCCC(OC)=O)c(C)cc1cccn2)N3CCCNCC3	2
+CC(C)(C)OC(=O)N1CCN(c2c3ccc(nc3n(CC)c2)OCc4ccccn4)C(C1)=O	430
+N1CC(=O)N(c2c3ccc(nc3n(CC)c2)OCc4ncccc4)CC1	255
+O=S(=O)(N1CCN(CC1)c2cnc(cc2)N3CCNc4ccccc34)C5CC5	396
+C1CN(CCN1c2ccc(N3CCNc4ccccc34)nc2)S(=O)(=O)CC	396
+CC(C)(C)OC(=O)N1CCN(c2ccc(nc2)NC3=CC(=CN(C3=O)C)Br)C(CC)C1	523
+CN1C=C(C=C(C1=O)Nc2ccc(N3C(CC)CNCC3)cn2)Br	2
+N1CCN(CC1C)c2ccc(NC3=CC(=CN(C)C3=O)Br)nc2	2
+CC(C)(C)OC(=O)N1CCN(CC1C)c2cnc(cc2)N	161
+CC(C)(C)OC(=O)N1CCN(c2ncc(cc2)N3CCNCC3)c4ccccc14	62
+CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCN(CC3)S(=O)(=O)CC)cn2)c4ccccc14	112
+C1CC12NCCN(c3c4c(ncn3)[nH]cc4)C2	2
+c1cc(ccc1OCC2CN3C(CNCC3)CC2)F	2
+C1CC(Cn2c3c(cc(cc3)F)cc2)CN4CCNCC14	2
+CC(C)(C)OC(=O)N1CCN2C(CCC(Cn3c4ccc(cc4cc3)F)C2)C1	7280
+CC(C)(C)OC(N1CCN(C(OCc2ccccc2)=O)C(C1)c3ccccc3)=O	66
+C1CNCCN1	2
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(N2CCN(CC2)C(OC(C)(C)C)=O)=O	10
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCO[Si](C)(C)C(C)(C)C	48
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)CCN2CCN(CC2)C(=O)OC(C)(C)C	7281
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2[nH]c3cc(Cl)c(OC4CCN(CC4)C(C)C)cc3c2)=O	147
+CC(C)(C)OC(=O)N1CCN(CC1)CC=2CC(C)(C)CCC=2Br	7282
+CC(C)(C)OC(=O)N1CCN(CC1)C(C#Cc2cccc(c2)Cl)CC	7283
+CC(C)(C)OC(=O)N1CCN(CC1)C(OCCCC)=O	66
+CC(C)(C)OC(N1CCN(CC1)C(c2c(F)cccc2)C#N)=O	7284
+CC(C)(C)OC(N1CCN(CC1)C(NCc2ccc(cc2)C#N)=O)=O	1893
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(Cl)cc2Br	48
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2C(=O)OC)Cl	48
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccnc(c2)Cl	264
+CC(C)(C)OC(N1CCN(CC1)c2n(-c3ccccc3Cl)c4c(N(C)C(N(C)C4=O)=O)n2)=O	4116
+CC(C)(C)OC(N1CCN(CC1)c2nc(ccc2)N)=O	43
+FC(F)(F)C(N1CCN(CC1)C(=O)OC(C)(C)C)=O	520
+FC(F)(F)C(C)(C)NC(=O)c1cc(CN2CCN(CC2)C(=O)OC(C)(C)C)ccc1	171
+FC(F)(F)COc1ccc(cc1)N2CCN(CC2)C(OC(C)(C)C)=O	79
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3nc(ccc3ccc2)CCC(OC)=O	1563
+CC(C)(C)OC(N1CCN(CC1)c2cccc(C)c2[N+](=O)[O-])=O	908
+FC(F)(F)c1ccccc1C(=O)N2CCN(CC2)C(=O)OC(C)(C)C	115
+FC(F)(F)c1cc(C(=O)OC)ccc1CN2CCN(CC2)C(=O)OC(C)(C)C	131
+FC(F)(F)c1cccc(N2CCC(C2)O)c1CN3CCN(CC3)C(=O)OC(C)(C)C	48
+FC(F)(F)c1cc(Br)cc(c1)N2CCN(CC2)C(OC(C)(C)C)=O	34
+FC(F)(F)c1cc(ccc1C#N)-n2nnnc2CN3CCN(CC3)C(=O)OC(C)(C)C	894
+CC(C)(C)OC(N1CCN(CC1)C(=O)c2nc3ccc(Oc4ccc(C(F)(F)F)nc4)cc3cc2)=O	147
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)OC(C)(C)C	92
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(OC(C)(C)C)=O	361
+FC(F)(F)c1n2c(nn1)ccc(N3CCN(CC3)C(OC(C)(C)C)=O)n2	212
+CC(C)(C)OC(=O)N1CCN(CC1)CCc2ccc(C#N)c(c2)OC(F)F	61
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(c(-c3nc4N(S(=O)(=O)N(c4cc3)CC5CC5(F)F)C)c2)C)=O	889
+CC(C)(C)OC(N1CCN(CC1)c2cccnc2Cl)=O	2064
+CC(C)(C)OC(N1CCN(CC1)C(c2cc(nc3c2c(nn3C4CCCCO4)I)Cl)=O)=O	30
+CC(C)(C)OC(=O)N1CCN(CC1)C#N	739
+CC(C)(C)OC(=O)N1CCN(CC1)CC#N	1576
+CC(C)(C)OC(N1CCN(CC1)c2cc(c([N+]([O-])=O)c(N)c2)C)=O	34
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(N)c(F)c2	30
+CC(C)(C)OC(N1CCN(CC1)C(=O)C2Oc3ccc(Cl)cc3C2)=O	10
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)C=O	34
+CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O	123
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2cc(ccc2Cl)C(=O)O	92
+CC(C)(C)OC(N1CCN(CC1)S(=O)(=O)c2cccc3ccccc23)=O	92
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(F)c(F)c(S(=O)(=O)C3CC3)cc2	34
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2	92
+CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4	1148
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(O)c2)=O	54
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncnc3nc[nH]c23	1310
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(cn2)C(=O)O)Cl)=O	43
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(CN3C(CCCc4ccccc34)=O)c2	79
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cc2)[N+](=O)[O-])=O	43
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc3c(n2)nc(-c4cccc(c4)[N+]([O-])=O)o3)=O	596
+CC(C)(C)OC(N1CCN(CC1)c2c(cccc2Cl)[N+](=O)[O-])=O	202
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3ccn(C)c3c2)C(C)N)=O	3372
+CC(C)(C)OC(=O)N1CCN(CC1)c2nccnc2Cl	317
+CC(C)(C)OC(N1CCN(CC1)c2c(ccc(F)c2C#N)F)=O	34
+CC(C)(C)OC(N1CCN(CC1)c2nccc(c2)-c3c(F)c(F)ccc3)=O	43
+CC(C)(C)OC(N1CCN(CC1)c2ccc(C(OC)=O)cc2[N+](=O)[O-])=O	34
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(nc2OC)Cl	244
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(-n3c(C)ccc3C)c([N+](=O)[O-])cc2	202
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2cccc3c(C=O)c[nH]c23)=O	211
+CC(C)(C)OC(N1CCN(CC1)c2scc(n2)-c3c(c(F)ccc3)F)=O	641
+CC(C)(C)OC(N1CCN(CC1)c2cc(cc(C)n2)OCC)=O	323
+CC(C)(C)OC(=O)N1CCN(CC1)C2Cc3c(ccc(N4C(c5c(C4=O)cccc5)=O)c3)CC2	85
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3c(-c4ccccc4OCC3)nc(N)n2	54
+CC(C)(C)OC(N1CCN(CC1)CCCCN2C(c3c(C2=O)cccc3)=O)=O	28
+CC(C)(C)OC(N1CCN(CC1)c2nc3c(c4ncnn24)c(c(Br)cc3)F)=O	7285
+CC(C)(C)OC(N1CCN(CC1)C(CCc2c3C(CCCc3[nH]c2)=O)=O)=O	10
+CC(C)(C)OC(N1CCN(CC1)c2c(F)cc(C(=O)OC)cc2)=O	34
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2c(F)ccc(CO)c2	30
+CC(C)(C)OC(N1CCN(CC1)c2cncc(n2)Cl)=O	317
+CC(C)(C)OC(N1CCN(CC1)Cc2cc3c([nH]c(n3)-c4c(cn[nH]4)NC(c5c(cccc5F)F)=O)cc2)=O	48
+CC(C)(C)OC(N1CCN(CC1)c2nc3cc(F)cc(F)c3c(c2C)Cl)=O	286
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)Br	79
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2C(OC)=O)F)=O	34
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(c(c2)C=O)O	79
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(F)cc(cc2)Br	48
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc3C(C=C(c4nc5cc(C)ccn5c4)Oc3cc2)=O	79
+CC(C)(C)OC(N1CCN(CC1)c2cnc3c(cc(Br)cc3)n2)=O	1322
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(N)ncc(Br)n2	2089
+CC(C)(C)OC(N1CCN(CC1)c2c3ccncc3cc(n2)-c4cc(ncc4)Cl)=O	43
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cc3nc(-c4c(cccc4)[N+](=O)[O-])sc3nc2	619
+CC(C)(C)OC(N1CCN(CC1)C2(c3c(cc(Cl)cc3)NC2=O)Cc4cccc(Cl)c4)=O	7286
+CC(C)(C)OC(=O)N1CCN(CC1)CCn2ncc3cc(ccc23)Oc4c(cc(cc4)F)C#N	61
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(C(OC)=O)c3ccccc3nc2-c4ccccc4	619
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2c(n(-c3ccccc3)c4cnc(cc24)OC)Cl	211
+c1cc(ccc1)C(c2ccccc2)CC(=O)N3CCN(CC3)C(=O)OC(C)(C)C	10
+CC(C)(C)OC(N1CCN(CC1)CCCCc2cn(c3c(nc(CCCC)nc23)N)COCc4ccccc4)=O	61
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc(cc2-c3ccc(cc3)Cl)F	619
+CC(C)(C)OC(=O)N1CCN(CC1)c2nccnc2-c3ccc(cc3)Cl	317
+CC(C)(C)OC(=O)N1CCN(CC1)c2n3nc(c(-c4ccc(cc4)Cl)c3nc(C)c2)-c5c(cccc5)Cl	1575
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)C(=O)OCC)=O	34
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)C(C)=O)=O	171
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)F)C	2030
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)C(OC)=O)=O	30
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)C3Nc4cccc5c4c(C3c6ccc(cc6)F)nnc5O	48
+CC(C)(C)OC(N1CCN(CC1)CCc2ccc(cc2)CCc3nc(NC(=O)C)sc3)=O	28
+CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)c2ccc(cc2)F	676
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)NCC3CC3	30
+CC(C)(C)OC(N1CCN(CC1)c2nc(C(C)C)cc(Nc3ccc(cc3)C)n2)=O	117
+CC(C)(C)OC(N1CCN(CC1)C(=O)Oc2ccc(cc2)[N+](=O)[O-])=O	66
+CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)Nc2ccc(cc2)Oc3ccccc3	1228
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)[N+]([O-])=O	92
+CC(C)(C)OC(N1CCN(CC1)C(c2c(c(-c3ccccc3)n4c2cc(cc4)Br)Cc5c(C)c(F)ccc5)=O)=O	211
+CC(C)(C)OC(N1CCN(CC1)c2nnc(c(-c3ccccc3)c2)Cl)=O	212
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2cn3c(-c4ccccc4)c(nc3cc2)C)=O	211
+CC(C)(C)OC(N1CCN(CC1)C(C2CCCCN2C(OCc3ccccc3)=O)=O)=O	10
+CC(C)(C)OC(N1CCN(CC1)c2cc(OCc3ccccc3)ccc2[N+]([O-])=O)=O	34
+CC(C)(C)OC(N1CCN(CC1)c2cncc(OCc3ccccc3)c2)=O	244
+CC(C)(C)OC(=O)N1CCN(CC1)CC2=Nc3ccc(cc3C(=O)N2c4ccccc4)[N+](=O)[O-]	4077
+CC(C)(C)OC(N1CCN(CC1)C(=O)Nc2noc3c2cccc3)=O	437
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc3c(cc2)N(C(=O)C)C(C4CC4)C(C3Nc5ncccn5)C	79
+C1CNCCN1c2sc3cc(ccc3n2)C(OC)=O	7287
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(Cl)c2)=O	54
+CC(C)(C)OC(N1CCN(CC1)c2ccnc(Cl)n2)=O	54
+CC(C)(C)OC(N1CCN(CC1)Cc2cnc(F)cc2)=O	619
+CC(C)(C)OC(N1CCN(CC1)c2c3n(cc(n2)Br)cnn3)=O	2072
+CC(C)(C)OC(N1CCN(CC1)c2c3c(nc(cc3)C)ncn2)=O	778
+CC(C)(C)OC(N1CCN(CC1)Cc2cscn2)=O	2446
+CC(C)(C)OC(N1C(CN(c2c3c(ncn2)cc(Cl)c(Br)c3)CC1)C(=O)OC)=O	54
+CC(C)(C)OC(=O)N1C(C(OC)=O)CN(CC1)Cc2cc(ccc2)-c3ccnc(Cl)n3	48
+CC(C)(C)OC(N1C(CCCC)CN(CC1)C(=O)c2cccc3ccccc23)=O	30
+CC(C)(C)OC(=O)N1C(CN(CC1)C(=O)OCc2ccccc2)CCO	66
+CC(C)(C)OC(=O)N1CCOC(C1)CNc2c3c(cc(-c4cn(nc4)C)n2)nccn3	1675
+CC(C)(C)OC(=O)N1CCOC(C1)Cc2cc(CO)ccc2	41
+CC(C)(C)OC(=O)N1CCOC(Cc2cc(COC)ccc2)C1	76
+CC(C)(C)OC(=O)N1CCOC(C1)Cc2cc(C=O)ccc2	146
+CC(C)(C)OC(=O)N1CC(OCC1)COc2nc(-c3ccc(cc3)N4CCOCC4)cc5nccnc25	3821
+CC(C)(C)OC(=O)N1CC(C(c2ccc(Cl)c(c2)Cl)OCC1)CN	18
+CC(C)(C)OC(N1CCOCC(n2c3ncnc(c3c(n2)-c4ccc(cc4)Oc5ccccc5)N)C1)=O	918
+CC(C)(C)OC(=O)N1CCOCC1CO	21
+C1COCC(CO)N1C	352
+CC(C)(C)OC(=O)N1C(COCC1)COC(=O)N2CCN(CC2)c3ccc(cc3)F	2078
+Clc1cccc(c1)-c2onc(C3NCCOC3)c2	2
+CC(C)(C)OC(N1c2cc(C=O)ccc2OCC1)=O	146
+CC(C)(C)OC(N1C(CSCC1)CCN)=O	51
+N1(CCCC1=O)c2ccc(Oc3cc4CCNCCc4cc3)nc2	2
+c1(cc2CCNCCc2cc1)Oc3c(F)cc(I)cc3	2
+n1c(oc2ccc3c(c12)CCNCC3)C	2
+CC(C)(C)OC(N1CCc2c(CC1)cn(-c3ccc(cc3)NS(=O)(=O)C)n2)=O	1158
+CC(C)(C)OC(N1CCc2nn(-c3ccc(cc3)S(=O)(=O)C)cc2CC1)=O	1158
+CC(C)(C)OC(N1CCc2c(c(ccc2CC1)Cl)CCl)=O	438
+CC(C)(C)OC(=O)N1CCc2c3ccc(cc3n(c2C1)C)Br	144
+c1c(C)cc(C)c2c1c3CNCCc3n2C	2
+c1cnccc1N2CCC(CC2)COc3ccc4c(CNCC4)c3	2
+CC(C)(C)OC(=O)N1CCc2cc(OC)c(N)cc2CC1	0
+c1ccc(OCc2nccc(C)c2)c(-c3cc4c(cc3)CCNCC4)n1	2
+CC(C)(C)OC(=O)N1CCc2c(nc3ccnn3c2N4C(COC)CC4)CC1	76
+c1c(cc2n(C)c3CNCCc3c2c1)Br	2
+FC(F)(F)c1ccc(cn1)COC2=CC(=O)N(C=C2)c3ccc4c(c3)n(c5c4CCN(C5)C(=O)OC(C)(C)C)C	2027
+CC(C)(C)OC(=O)N1CCc2c(n(C)c3c2ccc(c3)N4CCN(CC4=O)CCc5ccccc5)C1	2653
+CC(C)(C)OC(=O)N1CCc2c(C1)n(c3c2ccc(N4C=CC(=CC4=O)c5ccc(cc5)Cl)c3)C	2793
+CC(C)(C)OC(N1CCc2cc3nc(oc3cc2CC1)C)=O	2794
+CC(C)(C)OC(=O)N1CCc2cc(c(cc2CC1)OC)NS(=O)(=O)c3ccc(cc3)-c4sc(cc4)Cl	1373
+CC(C)(C)OC(=O)N1CCc2cc(NS(=O)(=O)c3ccc(cc3)I)c(cc2CC1)OC	69
+CC(C)(C)OC(=O)N1CCc2c(cc(c(c2)[N+]([O-])=O)OC)CC1	77
+c1cc(cc2CCNc12)OCCCCN(CC=C)C	396
+CC(C)(C)OC(=O)N1CCc2cc(Oc3ccc(C(NC)=O)cc3OC)ccc2CC1	14
+c1c(c(ccc1C(NC)=O)Oc2cc3CCNCCc3cc2)OC	2
+c1cc(cc2CCNc12)SCCO	396
+c12c(c(F)c(Br)cc1CCN2)C(=O)O	396
+CC(C)(C)OC(=O)N1CCc2cc(Oc3c(cc(cc3)C(O)=O)OC)ccc2CC1	1
+O=C(c1ccc(Oc2cc3CCNCCc3cc2)nc1)NC	2
+CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Oc3ncc(-c4onc(n4)C)cc3	7288
+CC(C)(C)OC(N1CCc2c(CC1)c(Cc3cccnc3)c(cc2)Cl)=O	7289
+c1(-c2onc(C)n2)ccc(Oc3cc4CCNCCc4cc3)nc1	2
+CC(C)(C)OC(N1CCc2c3ccccc3n(c2CC1)CCOCC)=O	21
+C1CCCCN1C(=O)c2c3c(on2)CCNC3	2
+CC(C)(C)OC(N1CCn2c(c(cn2)I)C1)=O	1160
+CC(C)(C)OC(N1Cc2n(cc(-c3cc(ccc3)F)c2C(OCC)=O)CC1)=O	1866
+CC(C)(C)OC(=O)N1CCn2c(c(c(C(O)=O)c2C1)-c3cccc(c3)F)Br	6
+C1CNCc2c(c(-c3cc(F)ccc3)c(Br)n12)C(=O)N	2
+CC(C)(C)OC(=O)N1Cc2n(c(Br)c(c2C(n3cncc3)=O)-c4cccc(c4)F)CC1	7290
+O=S(=O)(C)c1cc2n3c(C(NCC3)C(C)C)nc2cc1COC(C)=O	2
+CC(C)(C)OC(=O)N1Cc2ncc(Cl)n2CC1	844
+CC(C)(C)OC(=O)N1CCn2c3c(nc2C1C(C)C)cc(CO)c(S(=O)(=O)C)c3	88
+CC(C)(C)OC(=O)N1CCn2c(nc3cc(COC(C)=O)c(S(=O)(=O)C)cc23)C1C(C)C	204
+CC(C)(C)OC(=O)N1C(Cc2c3c(cccc3)n(Cc4ccc(cc4)F)c2C1)C(=O)N	190
+N1Cc2n(nc(-c3cc(F)ccc3)c2C(=O)N)CC1	2
+CC(C)(C)OC(=O)N1Cc2c(ccc(C3C(Nc4ccc(C#N)cc34)=O)n2)C1	4117
+C1CCC1(c2c3CN(C(Nc4cc(ccc4)Cl)=O)CCc3[nH]n2)C	7291
+CC(C)(C)OC(N1Cc2c(c(-c3nnn[nH]3)c(s2)NC(C)=O)CC1)=O	7292
+CC(C)(C)OC(N1Cc2sc3ncnc(Cl)c3c2CC1)=O	779
+C[Si](C)(C)CCOCn1c2c(nc1I)CN(CC2)C(OC(C)(C)C)=O	1073
+C1c2c(CC1Nc3nc4c(CNCC4)cn3)cccc2	2
+c1cc(CNc2c3c(nc4ccc(cc24)C#N)CCNC3)cc(Cl)c1OC	2
+c1nc2c(c(Nc3cc4c(nc3)cccc4)n1)CNC2	2
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(c2CC1)C)Br)=O	144
+CC(C)(C)OC(N1Cc2c(ccc(-c3ccc(cc3)-c4n(ccn4)C(=O)OCC(C)C)c2)OCC1)=O	11
+CC(C)(C)OC(N1CCn2c(C1)c(C=O)c3cc(OC)ccc23)=O	287
+CC(C)(C)OC(=O)N1CCOc2c(ccc(O)c2)C1	16
+CC(C)(C)OC(=O)N1Cc2c(c(c(C#N)n2CC1)-c3cccc(c3)F)C(=O)O	6
+CC(C)(C)OC(N1Cc2c(C(=O)N)ccn2CC1)=O	745
+n1cnsc1-c2nnc3CNCCn23	2
+CC(C)(C)OC(=O)N1CCn2c(c(c(C(=O)N)c2C1)-c3cc(ccc3)F)Br	7293
+CC(C)(C)OC(=O)N1Cc2c(CC1)c3c(ccc(N4C=CC(=CC4=O)OCc5ccccc5)c3)n2C	1614
+CC(C)(C)OC(N1Cc2c(C1)c(N3C(COCC3)C)nc(n2)-c4ccc(cc4)NC(NC5CC5)=O)=O	261
+Clc1n2CCNCc2nc1	2
+CC(C)(C)OC(=O)N1Cc2c(CC1)c3c(O)ncnc3s2	7294
+CC(C)(C)OC(=O)N1N(C)C(c2c1cc(cc2)N)=O	0
+Clc1ccc(C#N)c(C2=CC(=O)N(C(C(Nc3cc4NN(C(=O)c4cc3)C)=O)C)C=C2)c1	7295
+CC(C)(C)OC(=O)N1N(C)C(=O)c2ccc(cc12)NC(C(N3C=CC(c4c(ccc(Cl)c4)C#N)=CC3=O)C)=O	33
+O=S1(=O)N(c2ccccc2)CCCCN1	7296
+CC(C)(C)OC(=O)N1c2cc([N+](=O)[O-])c3c(cccc3)c2C(COC)C1	21
+CC(C)(C)OC(N1c2c(C)c(ccc2CC1)N)=O	0
+c1cc(c(c2c1CCN2)C)[N+]([O-])=O	396
+c1cc2c(cc1Br)C=C(CCN2)C(=O)OC	396
+CC(C)(C)OC(=O)N1CCC(=Cc2cc(ccc12)-c3cc(c(OCC)cc3)F)C(=O)OC	750
+C1Oc2cc(ccc2NC1CC(OCC)=O)Br	396
+CC(C)(C)OC(=O)N1CC(CCl)c2c3ccccc3c(cc12)O	16
+CC(C)(C)OC(=O)N1c2ccc(cc2CC1)C(=O)Nc3cnc4c(cccc4)c3	487
+c1([N+]([O-])=O)ccc2C(CNc2c1)CCl	396
+CC(C)(C)OC(=O)N1c2c(cccc2CCC1)C=CC(OC)=O	7297
+c12C(CCl)CNc1cc(OC(C)=O)c3c2cccc3	396
+CC(C)(C)OC(N1c2c(C(CO)C1)c3c(cccc3)c([N+]([O-])=O)c2)=O	88
+CC(C)(C)OC(=O)N1c2c(cccc2CCC1)C=O	151
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cc(-c3c(C)cccc3N)ccc2)c(SC)s1	7298
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cccc(-c3c(C)cccc3CO)c2)c(SC)s1	7299
+CC(C)(C)OC(=O)N=C1NC(=O)N(CCC(F)CN=[N+]=[N-])C=C1	310
+CC(C)(C)OC(=O)N=C1NC(C)(c2cc(NC(c3ccn(C(F)F)n3)=O)ccc2F)Cn4c(C#N)c(Cl)nc14	187
+CC(C)(C)OC(=O)N=C1NC2(c3c(F)ccc(NC(=O)c4ccc(cn4)Cl)c3)C(CCS1)C2	187
+CC(C)(C)OC(NC1=NC2(c3c(ccc(c3)NC(c4ccc(Br)cn4)=O)CC(C)(C)C2)CO1)=O	7300
+Clc1cnc(cc1)C(Nc2ccc(c(C34C(CCSC(N)=N3)C4)c2)F)=O	7301
+CC(C)(C)OC(=O)N=C1NC2(C(CCS1)C2)c3c(ccc(N)c3)F	0
+CC(C)(C)OC(=O)N=C1NC2(CC(C)(C)Cc3ccc(cc23)N)CO1	3860
+CC(C)(C)OC(=O)NC(=N)c1c(cc(OCCON)cn1)O	670
+CC(C)(C)OC(=O)NC(=N)c1c(O)cc(cn1)OCCON2C(c3c(cccc3)C2=O)=O	1920
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cccc(-c3c(NC(NCCN)=O)cccc3C)c2)c(SC)s1	3817
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cc(-c3c(cccc3NC(CCC(=O)O)=O)C)ccc2)c(SC)s1	3
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cccc(-c3c(C)cccc3COCCC(=O)OCC)c2)c(SC)s1	7302
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cccc(-c3c(cccc3C)COCCC(O)=O)c2)c(SC)s1	3
+O=S(=O)(c1c(SC)sc(c1)C(=N)N)c2cccc(c2)-c3c(cccc3C)COCCC(O)=O	4118
+c1cc(ccc1)COC(COc2cc(C)c(c(c2)C)S(=O)(=O)OCC(C(C(N)CC(C)C)=O)(O)C)=O	7303
+CC(C)C(CC(O)c1nc(cs1)C(OC)=O)N(CCC)C(=O)C(N)C(C)C	84
+c1cc(ccc1CC(N)C(=O)N(C)C)OCC#CC	84
+CC(C)(C)OC(NC(CCCC)C=O)=O	378
+CC(C)(C)OC(NC(C1=Nc2c(c(Cl)ccc2)C(=O)N1C3CC3)C)=O	7304
+CC(C)(C)OC(=O)NC(C(=O)C)CCCNC(=O)OCc1ccccc1	7305
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=S)N	199
+NC(Cc1ccc(Br)nc1)C(N)=O	84
+CC(C)(C)OC(=O)NC(CC(C)C)C(N1C(C(O)=O)CCC1CC)=O	3
+CC(C)(C)OC(=O)NC(C(=O)N1C(CCC1)C#N)CCC(=O)O	3
+C1CC(CCN1C(=O)C(N)C)CCc2c(nc(C)nc2N)Cl	84
+CC(C)(C)OC(=O)NC(C(C)C(O)=O)C(N1CCCC1)=O	4
+C1CN(CCN1C(OCc2ccccc2)=O)C(=O)C(N)CC(C)C	84
+CC(C)(C)OC(=O)NC(C(NC(Cc1c[nH]c2c1cccc2)C(=O)NN)=O)CC(C)C	561
+CC(C)(C)OC(=O)NC(C(NC(C(C)C)C(=O)NC(C(C)C)C(=O)O)=O)COCC=C	4
+CC(C)(C)OC(NC(Cc1c(F)ccs1)C(NC2(C(C2)c3ccccc3)C(=O)N)=O)=O	83
+C1CCC(C1)NC(=O)C(CC#N)N	84
+CC(C)(C)OC(=O)NC(C(NC1C(Nc2c(cccc2C1)N3CCCC3=O)=O)=O)CC(C)C	2795
+CC(C)C(C(NCCS)=O)N	84
+C1CC12COc3c(ccc(Oc4ccc(cn4)NC(=O)C(N)CC)c23)C	84
+c1cc(ccc1Oc2cc3c(COC3)cc2)NC(=O)C(C)N	84
+n1cc(cnc1Oc2ccc(c3c2C4(CC4)CO3)C)NC(C(N)CC)=O	84
+c12c(CC(C1)C3NC(=O)C(N(Cc4ccccc4[N+]([O-])=O)C3=O)C(CC)CC)cccc2	4119
+c12c(CC(C1)C3NC(=O)C(N(Cc4ccccc4CO)C3=O)C(CC)CC)cccc2	4119
+CC(C)(C)OC(=O)NC1C(Nc2c(ccc(c2)F)OC1)=O	33
+CC(C)(C)OC(=O)NC(C(=O)O)COc1ccc(cc1N)F	0
+CC(C)(C)OC(NC(C(N(c1ccc(cc1)OC)C)=O)Cc2cc(Br)ccc2)=O	429
+CC(C)(C)OC(NC(C(=O)O)C1CCC(CC1)NC(=O)OCc2ccccc2)=O	4
+CC(C)(C)OC(=O)NC(C(=O)OC)CCC(OS(=O)(=O)C)CNC(OCc1ccc(cc1)[N+](=O)[O-])=O	7
+CC(C)(C)OC(NC(CCC(SC(C)=O)CNC(=O)OCc1ccc(cc1)[N+](=O)[O-])C(OC)=O)=O	2128
+c1ccccc1COC(NCCCCC(C(OC)=O)N)=O	689
+CC(C)(C)OC(NC(C=O)Cc1ccc(cc1)Oc2ccc(cc2)Cl)=O	59
+CC(C)(C)OC(=O)NC(Cc1ncc(cc1)CCCC(C)O)C(=O)OC	3475
+CC(C)(C)OC(NC(CCCC(C)N)C(=O)OCC)=O	499
+CC(C)(C)OC(NC(C(=O)O)CCc1nc2cc(Cl)c(cc2n1CCC)Cl)=O	210
+CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NC(CC(C)C)C(O)=O	2445
+CC(C)(C)C(N)C(N1CCC(N=[N+]=[N-])C1C(=O)NC(Cc2ccc3ccccc3c2)C(=O)OC)=O	84
+CC(C)(C)OC(NC(C(C)C(OC)=O)c1[nH]c2ccc(cc2n1)C(C)(C)C)=O	442
+CC(C)(C)OC(=O)NC(C(c1onc(-c2c(Cl)cc(cc2)NS(=O)(=O)C)n1)C)C(=O)N3CCCC3	859
+CC(C)CC(N(C)C(=O)C(N)C(C)C)C(NC(C(Cc1ccccc1)=O)C)=O	84
+C1CN(CCC1Cc2ccc(Cl)c(Cl)c2)C(C(C(C)C)N)=O	84
+CC(C)C(C(N1CCCC1Cc2c3ccccc3oc2CCC(OCC)=O)=O)N	84
+CC(C)(C)OC(=O)NC(C(C)C)C(N1CC(N(CC1)C(=O)c2ccc(cc2)Cl)C(=O)O)=O	4
+CC(C)C(C(=O)OC1C(C#C)(C(OC1CO)n2c3c(cc2)c(N)ncn3)O)N	689
+C1C(CN1CC(NC)C(C)CC)O	352
+CC(C)(C)OC(NC(C)c1c(cc2c(F)cccc2n1)C(OCC)=O)=O	7306
+C1CCCCC1CC(N)C(CCC(C)C)O	12
+CC(C)(C)OC(NC(Cc1ccccc1)(C(CNC(=O)c2cc(nc(N(S(=O)(=O)C)C)c2)Cl)=O)C)=O	86
+CC(C)(C)OC(=O)NC(C(CN(C(OCc1ccccc1)=O)CC(C)C)O)Cc2ccccc2	66
+CC(C)(C)OC(NC(C(=O)N(c1ccc(cc1)OC)C)Cc2cccc(CO)c2)=O	41
+c1cc(ccc1CC(C(=O)N)N)S(=O)(=O)c2ccccc2	84
+CC(C)(C)OC(=O)NC(C(=O)N1C(CC)CN(CC1)C(Cc2ccc3ccccc3c2)C(NC)=O)Cc4ccc(cc4)Cl	9
+CC(C)(C)OC(=O)NC(C(N1CCN(CC1CC)C(Cc2cc3ccccc3cc2)C(=O)O)=O)Cc4ccc(cc4)Cl	4
+CC(C)(C)OC(NC(CC1CCCCC1)C(N)C)=O	18
+CC(C)(C)OC(=O)NC(C(NCCc1cc(c(OCC#Cc2ccc(cc2)Cl)cc1)OC)=O)C(C)C	7307
+CC(C)(C)OC(=O)NC(C(NCCc1cc(OC)c(O)cc1)=O)C(C)C	16
+CC(C)(C)OC(=O)NC(C1=Nc2cccc(c2C(=O)N1c3ccc(cc3)F)Cl)CC	2796
+CC(C)(C)OC(NC(C(=O)NCCc1ccc(c(OC)c1)OCc2cccc3ccccc23)C(CC)C)=O	9
+CC(C)(C)OC(=O)NC(C(Nc1cccc(Cl)c1C(Nc2ccc(cc2)F)=O)=O)CC	33
+CC(C)(C)OC(=O)NC(C(=O)Nc1cnc(nc1)Oc2ccc(c3c2C4(CC4)CO3)C)CC	1681
+CC(C)(C)OC(=O)NC(C(=O)N(C)OC)CCCC	164
+c1cc(ccc1)CN2CC(NC(CCCC)C2=O)=O	7308
+CC(C)(C)OC(=O)NC(C(=O)N)Cc1cnc(cc1)Br	83
+CC(C)(C)OC(NC(C(Nc1ncccc1C(=O)c2ccc(cc2)F)=O)c3sccc3)=O	142
+C1CCCN1C(=O)C(N)C(C)O	84
+CC(C)(C)OC(NC(CO)C(C)C)=O	95
+CC(C)(C)OC(NC(C(=O)O)CC=1CCCC=1)=O	4
+CC(C)(C)OC(NC(CO)C(=O)NCCN)=O	248
+CC(C)(C)OC(NC(C(O)=O)Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC)=O	4
+CC(C)(C)OC(=O)NC(C(OCc1ccccc1)=O)CCC(=O)Nc2cc(c(cc2NCCC)Cl)Cl	291
+CC(C)(C)OC(NC(C(=O)OCc1ccccc1)CCc2nc3c([nH]2)cc(C)c(C)c3)=O	791
+CC(C)(C)OC(=O)NC(C(=O)OCc1ccccc1)CCc2n(c3cc(c(Cl)cc3n2)Cl)CCC	1264
+CC(C)(C)OC(NC(C(O)=O)Cc1c2c(cccc2)n(c1)CC(OCC)=O)=O	210
+CC(C)(C)OC(=O)NC(CCCNC(OCc1ccccc1)=O)C(NC(C)(C)c2ccccc2)=O	7309
+CC(C)(C)OC(=O)NC(C)C(c1ccc(cc1)CC)O	74
+CC(C)(C)OC(NC(C(=O)c1ccccc1)CC)=O	3852
+C(C)C(C)(C(=O)Nc1ccc(nc1)Oc2c3c(OCC(C3)C)ccc2)N	84
+CC(C)(C)OC(=O)NC(C)(C)C(=NO)N	609
+CC(C)(C)OC(=O)NC(C)(C)c1noc(n1)C	2584
+CC(C)(C)OC(NC(C)(C)C=O)=O	378
+n1cc(cnc1Oc2cccc3OCC(C)(C)c23)NC(=O)C(C)(C)N	84
+CC(C)(c1nc(C)on1)N	12
+Fc1cccc(F)c1COc2n3c(c(C(NCC(CCC)(C)N)=O)c(C)n3)ccc2	12
+c1cc(ccc1)C#Cc2cc(cc(NC(=O)C(N)C)n2)Cl	84
+CC(C)(C)OC(=O)NC(c1n(C2CC2)c3c(Br)c(ccc3n1)F)C	1264
+c1cc(ccc1OC)CC(NC(=O)C(C)N)C(NC(CC2=CCCC2)C(=O)C3(CO3)C)=O	84
+C(c1cccc(OC)c1)(O)C(C)N	12
+c1cc(ccc1C(O)C(C)N)CC	12
+CC(C)(C)OC(=O)NC(C)C(O)c1cccc(c1)OC	74
+CC(C)(C)OC(=O)NC(C)Cn1c2c3c(ccc2cn1)OCC(CN=[N+]=[N-])O3	600
+CC(C)(C)OC(=O)NC(Cn1c2c(c(N)ncn2)c(-c3ccc(cc3F)Oc4ccccc4)n1)C	920
+CC(C)(C)OC(NC(C)c1c(c(c2c(ccc(c2)F)n1)-c3nnc(C)o3)-c4ncccc4)=O	877
+c1cc(-n2c3c(c(c2C(N)C)Cl)cccc3)cc(c1)F	12
+CC(C)(C)OC(=O)NC(c1cccc(c1)Oc2cc(Cl)ccc2N)C	0
+CC(C)(C)OC(=O)NC(C)c1c(c2c(cccc2)n1-c3cccc(F)c3)Cl	573
+FC(F)(F)c1[n+]([O-])cc(C(C)NC(=O)OC(C)(C)C)cc1	103
+C(C=1N=C2N(C(=O)C=1c3cc(F)ccc3)C(=CS2)C)(C)N	4120
+C1CC1N2C(c3c(N=C2C(CC)N)cccc3Cl)=O	12
+CC(C)(C)OC(=O)NC(C)C1=Nc2c(C(=O)N1c3cc(ccc3)C(N)=O)c(ccc2)Cl	1079
+c1cc(ccc1F)N2C(c3c(cccc3Cl)N=C2C(N)CC)=O	12
+CC(C)(C)OC(NC(C(CC(Cc1cccc(F)c1)C(O)=O)O)Cc2ccccc2)=O	1392
+CC(C)(C)OC(NC(Cc1ccccc1)C(CC(Cc2c(cc(cc2)OC)OC)C(=O)O)O)=O	1392
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccccc2)C3CC(Cc4ccc(cc4)OC)C(=O)O3	4121
+c1ccccc1COC(N2C(CC(CC2)C(CC)N)C(N)=O)=O	12
+CC(C)(C)OC(NC(C(O)CC(Cc1ccc(cc1)OC)C(O)=O)Cc2ccccc2)=O	1392
+CC(C)(C)OC(NC(CO)CCc1ccc(cc1)Br)=O	374
+CC(C)(C)OC(=O)NC(CC#CC)CNc1cccc(c1)Cl	291
+CC(C)(C)OC(=O)NC(CC#CC)C(O)=O	3
+CC(C)(C)OC(NC(C(=O)N(C)OC)CC#CC)=O	164
+CC(C)(C)OC(=O)N(C)C(CC#N)Cc1ccccc1	397
+c1cc(ccc1C(CC#N)N)-c2ccccc2	12
+CC(C)(C)OC(NC(c1ccc(cc1)Cl)CCN)=O	51
+c12c(CC(NC(CC(Cc3ccccc3F)N)=O)C(N1)=O)cccc2	12
+CC(C)(C)OC(NC(C=O)CC(C(C)C)Cc1cc2c(cccc2OCCOC)cc1)=O	24
+CC(C)(C)OC(=O)NC(C(O)C=C(CCOC1OCCCC1)CO)CC(C)C	4122
+CC(C)(C)OC(=O)NC(CC(C)C)C(C=C(C(O)=O)CCOC1CCCCO1)O	108
+CC(C)(C)OC(=O)NC(CC(C)C)C(N1C(CC)CCC1C(N)=O)=O	83
+CC(C)(C)OC(NC(C(O)=O)CC#N)=O	143
+CC(C)(C)OC(NC(c1ccccc1Cl)CCO)=O	21
+CC(C)(C)OC(=O)NC(CC)(CC)C(NC)=O	9
+C(C)C(CC)(N)C(NC)=O	84
+CC(C)(C)OC(NC(CN)CC)=O	18
+CC(C)(C)OC(=O)NC(CC)CN=[N+]=[N-]	133
+CC(C)(C)OC(NC(CO)CC=C(F)F)=O	95
+CC(C)(C)OC(=O)NC(c1nc(-c2n(ncc2N)C)ccc1)CC=C	209
+CC(C)(C)OC(=O)NC1c2nc(ccc2)-c3c(cnn3C)NC(C(C)C=CC1)=O	4123
+CC(C)(C)OC(NC(CCI)C(OC)=O)=O	1273
+CC(C)(C)OC(=O)NC(CCOc1ccc(cc1)CCCCNC(OCc2ccccc2)=O)C(=O)OC	8
+c1cc(ccc1CCC(N)(C)CCC(=O)O)OCCCCCCC	12
+CC(C)(C)OC(=O)NC(C(=O)N1C(CCC1)C#N)CCC(=O)OCC	143
+CC(C)(C)OC(=O)NC(CCC(OC)=O)COS(=O)(=O)c1ccc(cc1)C	36
+CC(C)(C)OC(=O)NC(CN=[N+]=[N-])CCC(OC)=O	254
+CC(C)(C)OC(NC(CCC=CC(OCC)=O)C(NC=1C(N(CC(=O)NCC(CC)CC)C=CC=1)=O)=O)=O	7310
+CC(C)(C)OC(NC(C(OC(C)(C)C)=O)CCCCNCC(CCl)O)=O	122
+CC(C)(C)OC(NC(CCCCNCc1ccccc1)C(OC(C)(C)C)=O)=O	42
+CC(C)(C)OC(=O)NC(CN)CCCCNC(=O)OC(C)(C)C	18
+CC(C)(C)OC(=O)NC(CCCCNC(=O)OC(C)(C)C)CN=[N+]=[N-]	133
+CC(C)(C)OC(NCCCCC(NC(OC(C)(C)C)=O)CO)=O	21
+CC(C)(C)OC(NC(C(=O)N)CCCCN)=O	102
+CC(C)(C)OC(=O)NC(C(=O)OC)CCCCNC(OCc1ccccc1)=O	325
+CC(C)(C)OC(NC(C(=O)N1C(C(=O)NCCCc2ccccc2)CCC1)CCCN)=O	102
+CC(C)(C)OC(=O)NC(CCCNC(=O)OCc1ccccc1)C(=O)N2C(C(NCCCc3ccccc3)=O)CCC2	2654
+CC(C)(C)OC(=O)NC(C(=O)N(OC)C)CCCNC(=O)OCc1ccccc1	164
+CC(C)(C)OC(=O)NC(C(Oc1c(cccc1)[N+]([O-])=O)=O)CCCNC(=O)OCc2ccccc2	7311
+c1(ncn(n1)-c2c(cc([N+]([O-])=O)cc2)OCCCC(C)N)C	12
+CC(C)(C)OC(NC(C(=O)OC)CCCc1nc[nH]c1)=O	27
+c1cc(ccc1S(=O)C2CN(C2)CCC(N)CO)Cl	12
+c1cc(ccc1Cl)C(CCNS(=O)(=O)C)N	12
+CC(C)(C)OC(=O)NC(CCOc1ccccc1)C(OC)=O	20
+CC(C)(C)OC(=O)NC(COC)CCI	343
+c1cccc2-c3ccccc3C(c12)COC(=O)NCC(CCOC)(CCOC)N	12
+CC(C)(C)OC(NC(c1cc(c(cc1)Cl)Cl)CCI)=O	572
+CC(C)(C)OC(NC(C(N)=O)CCOc1ccc(cc1)CCCCNC(OCc2ccccc2)=O)=O	327
+c1ccccc1OCCC(N)C(=O)OC	689
+CC(C)(C)OC(=O)NC1C(=O)N(c2ccc(cc2)OCc3ccccc3)CC1	7312
+CC(C)(C)OC(=O)NC(CCSC)C(Nc1ccc(cc1)OCc2ccccc2)=O	33
+CC(C)(C)OC(NC(CCc1ccc(cc1)Br)C(C)O)=O	684
+CC(C)(C)OC(NC(CCc1ccc(cc1)OCCCCCCC)(C=CC(=O)O)C)=O	108
+CC(C)(C)OC(NC(CCc1ccc(cc1)OCCCCc2ccccc2)(CO)CC)=O	59
+CC(C)(C)OC(=O)NC(C)CNc1nc(ccn1)-c2oc(nc2-c3c(F)c(NS(=O)(=O)C)cc(c3)Cl)C4CC4	306
+CC(C)(C)OC(=O)NC(CNCC(Cn1c2ccc(F)cc2c3c1ccc(F)c3)O)C	122
+CC(C)(C)OC(NC(CNC(=O)C1CC(CN1C(=O)OCc2ccccc2)O)CCCCNC(=O)OC(C)(C)C)=O	9
+CC(C)(C)OC(=O)NC(CNC(CNc1sc(cn1)CO)=O)C(=O)OC	4124
+CC(C)(C)OC(=O)NC(CCS(=O)(=O)C)CN(Cc1cc(ccc1)Cl)C(=O)OCc2ccccc2	66
+OCC(CO)(N)CN1CCc2cc(ccc12)OCc3oc4c(c(Cl)cc(Cl)c4)c3	12
+CC(C)(C)OC(NC(C(C)(C)c1ccccc1)CN2C(=O)c3c(C2=O)cccc3)=O	332
+CC(C)(C)OC(NC(CO[Si](C)(C)C(C)(C)C)CC=C)=O	19
+C1C(CN1CCC(N)CO)Oc2ccc(cc2)Cl	12
+c1cc(ccc1Cl)SC2CN(C2)CCC(N)CO	12
+CC(C)(C)OC(=O)N1C(Cc2ccc(c(Cl)c2)O)COC1(C)C	2797
+CC(C)(C)OC(N1C(C)(C)OCC1Cc2ccc(cc2)O)=O	2797
+CC(C)(C)OC(=O)NC(COS(=O)(=O)C)c1cc([N+]([O-])=O)ccc1	7
+c1cc(ccc1)CNC(=O)C(COC)N	84
+CC(C)(C)OC(NC(COC)CN)=O	18
+CC(C)C(COCc1ccccc1)N	12
+CC(C)(C)OC(=O)NC(COc1ccc(cc1C(C)(C)C(F)(F)F)Cl)C	262
+CC(C)(C)OC(NC(CC#N)C)=O	300
+CC(C)(C)OC(=O)NC(CSC)C	786
+CC(C)(C)OC(=O)NC(COc1ccc-2c(OCc3cnc(cc-23)NC(=O)C)c1F)CC(C)C	262
+CC(C)(C)OC(=O)NC(CC#N)Cc1ccccc1	677
+CC(C)(C)OC(=O)NC(COc1noc(c1)C(=O)O)C	1
+FC(F)(F)C(C)(C)c1cc(ccc1OCC(C)N)Cl	12
+CC(C)(C)OC(=O)NC(COc1cc(on1)C(=O)Nc2cc(ccc2O)O)C	768
+CC(C)(C)OC(NC(C(=O)OC)CSCc1ccc(cc1)-c2cc(ccc2)CN3c4cc(ccc4CCC3)C(F)(F)F)=O	7313
+C[Si](C)(C)CC(NC(O)=O)C(=O)NC1(CC1)C#N	7314
+CC(C)(C)OC(=O)NC(C(=O)NC1(C(O)=O)C(c2ccccc2)C1)Cc3c(F)ccs3	4
+CC(C)(C)OC(NC(Cc1c[nH]c2c1cccc2)C(=O)NC(C(=O)N(C(CCCC)C(N)=O)C)CC(C)C)=O	348
+c1c2c(c[nH]c2ccc1)CC(N)C(N)=O	84
+c1(C)cc(cc(C)c1)CC(C(NCC#N)=O)N	84
+CC(C)(C)OC(=O)NC(Cc1cc(F)cc(c1)F)c2c(ccc(n2)C#CC(C)(C)O)C=3C=CC=4N(C=3C)C(NN=4)=O	7315
+Fc1cc(cc(F)c1)CC(c2c(C3=C(N4C(C=C3)=NNC4=O)C)ccc(C#CC(C)(C)O)n2)N	12
+c1cc(ccc1)COc2cccc(CC(N)C(=O)OCC)c2	689
+CC(C)(C)OC(NC(C(CNCc1cc(ccc1)C(C)C)O)Cc2cccc(c2)CC=C)=O	122
+CC(C)(C)OC(NC(C(=O)OC)Cc1ncc(CCCc2ccc3cccnc3n2)cc1)=O	4078
+CC(C)(C)OC(=O)NC(c1[nH]nnn1)Cc2ccc(cc2)-c3cc(Cl)ccc3	2612
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)-c2cc(Cl)ccc2)C(=O)O	11
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)CF)c2nc3ccccc3[nH]2	442
+c1cc(ccc1CC(N)c2[nH]c3c(cccc3)n2)CF	12
+CC(C)(C)OC(NC(C(=O)N)Cc1ccc(cc1)I)=O	83
+c1cc(ccc1OC(C)C)CC(N)C(=O)N(C)C	84
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OC(C)C)C(=O)N(C)C	10
+CC(C)(C)OC(NC(Cc1ccc(cc1)OC)C(NC(CC=2CCCC=2)C(C3(CO3)C)=O)=O)=O	612
+CC(C)(C)OC(=O)NC(c1nc2ccccc2[nH]1)Cc3ccc(cc3)OC	442
+CC(C)(C)OC(=O)NC(C(=O)N(C)C)Cc1ccc(cc1)OCC#CC	10
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)c2[nH]nnn2	1104
+CC(C)(C)OC(NC(C(=O)N)Cc1ccc(cc1)OCC=C)=O	83
+CC(C)(C)OC(NC(C=O)Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC)=O	24
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccccc2)C(CC(Cc3ccc(cc3)OC)C(=O)O)O	1392
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)Oc2ccc(cc2)C(=O)NO)C(=O)N(C)C	514
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)Oc2ccc(cc2)C(O)=O)C(=O)N(C)C	500
+CC(C)(C)OC(NC(C(O)=O)Cc1ccc(cc1)S(=O)(=O)c2ccccc2)=O	4
+CC(C)(C)OC(=O)NC(Cc1cc(ccc1)OCCCOS(=O)(=O)C)C2OC(=O)N(Cc3cc(ccc3)C(C)C)C2	7
+CC(C)(C)OC(=O)NC(Cc1cc(OCc2ccccc2)ccc1)C(=O)OCC	22
+CC(C)(C)OC(=O)NC(Cc1ccccc1)(C)c2cnc(-c3cc(N(C)S(=O)(=O)C)nc(c3)NC(C)C4CC4C)o2	70
+CC(C)(C)OC(NC(C(CCl)O)Cc1ccccc1)=O	100
+CN(C)C(=O)C(Cc1ccccc1)N	84
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C=O	378
+CC(C)(C)CCNC(=O)C(CC(C(Cc1ccccc1)N)O)C	12
+CC(C)(C)OC(=O)NC(C(CNCC(C)C)O)Cc1ccccc1	122
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(CN(Cc2ccccc2)C)O	170
+CC(C)(C)OC(=O)NC(Cc1ccccc1)CNc2ccccc2	291
+C1CN(CCC1(Cc2ccc(cc2)C#N)C(OCC3CCCCC3)=O)C(=O)C(Cc4sccc4)N	84
+C(N)(C(=O)N)Cc1cccnc1	84
+CC(C)(C)OC(=O)NC(C(=O)OC)Cc1ccc(cn1)C#CCC(O)C	2379
+CC(C)(C)OC(=O)NC(Cc1ccc(CCCC(C)=O)cn1)C(=O)OC	86
+CC(C)(C)OC(=O)NC(Cc1c(F)ccs1)C(=O)NC2(C(OC)=O)CC2c3ccccc3	188
+c1ccccc1Oc2cc(c(-c3nn(CC(C)N)c4ncnc(N)c34)cc2)F	12
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)Cc1c(cc(cc1OC)C#N)OC	7316
+CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)Cc1ccccc1OCc2ccccc2	7317
+c1cc(ccc1-c2cc(Cl)ccc2)CC(c3[nH]nnn3)N	12
+CC(C)(C)OC(NC(c1c(c(C)ccc1)C)CC#Cc2cccc(C)c2)=O	121
+CC(C)(C)OC(=O)NC(CCOS(=O)(=O)C)c1ccc(c(Cl)c1)Cl	7
+CC(C)(C)OC(=O)NC(CO)c1cccc([N+]([O-])=O)c1	95
+CC(C)(C)OC(=O)NC(C)c1cc(Oc2cc(Cl)ccc2[N+](=O)[O-])ccc1	46
+c1cc(ccc1Cl)C(CC(OC)=O)N	12
+CC(C)(C)OC(=O)NC(c1cc(ccc1)O)C	5
+CC(C)(C)OC(=O)NC(C)c1cccc(Oc2c(NCCCC(=O)OCC)ccc(c2)Cl)c1	601
+CC(C)(C)OC(=O)NC(C)c1cccc(N)c1	0
+C(c1c(c(Cl)ccc1)Cl)(CCO)N	12
+CC(C)(C)OC(=O)NC(c1ccccc1)COc2ccc(N)c(N)c2	0
+C1CC1n2c(nc3c2c(Br)c(cc3)F)C(C)N	12
+C1COCCC1C(c2n(Cc3ccccc3)cc(-c4c(ccc(F)c4)F)n2)N	12
+c1cc(ccc1)CC(c2nccn2Cc3c(cccc3)OC)N	12
+c1cc(ccc1OC)CC(N)c2[nH]c3c(cccc3)n2	12
+c1(C(N)C)nc(C)no1	12
+FC(F)(F)c1ccc(cc1)-c2cc(nc(n2)C#CCC3(CCN(C)C3=O)N)C	84
+CC(C)(C)OC(NC1(C(=O)OC)CCCC1O[Si](C)(C)C(C)(C)C)=O	19
+C1CC1(S(=O)(=O)NC(=O)C2(CC2C=C)N)CCC	84
+CC(C)(C)OC(=O)NC1(C)CCCC1NC(=O)OC2CC(C)CCC2C(C)C	101
+CC(C)(C)OC(NC1(C(CCC1)NC(=O)c2c(-n3nccn3)cccc2)C)=O	14
+CC(C)(C)OC(=O)NC1(CC1CC)C(NS(=O)(=O)OC2(CC2)C)=O	344
+NC1(C(OC(C)=O)CCC1)CNc2ccc(C#N)c(Cl)c2C	12
+CC(C)(C)OC(=O)NC1(C(=O)OC)C(CCC1)O	118
+FC(F)(F)c1ccc(cc1)-c2ccnc(n2)C#CCC3(CCN(C)C3=O)N	84
+CC(C)(C)OC(NC1(CC(C1)=O)C2CC(=O)N(C2)Cc3ccccc3)=O	86
+CC(C)(C)OC(NC1(CC(C1)OCc2ccccc2)C3CNC(=O)C3)=O	1980
+CC(C)(C)OC(NC1(CC(F)(F)C1)c2onc(-c3ccc(c(NC(=O)c4n5ccccc5nc4)c3)C)n2)=O	859
+C1CC1(C(NCc2ccc(cc2)-n3c4c(c(Cl)c3-c5noc(n5)C)cccc4)=O)N	84
+c1cc(ccc1C2(CC2)N)-c3c(-c4ccccc4)nc-5n3-c6c(Nc7ccccc-57)nccc6	12
+CC(C)(C)[Si](C)(C)OCC1c2c3c(ncnc3sc2CC1)OC4CCC(CC4)(NC(OC(C)(C)C)=O)C	7318
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2ncnc3c2c4C(CCc4s3)CC#N)C	300
+CC(C)(C)OC(=O)N(C1(CCC(CC1)Oc2ncnc3c2c4C(CCc4s3)CC#N)C)C	397
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2ncnc3sc4CCC(CC(=O)N)c4c23)C	527
+C1CC(CCC1Oc2ncnc3sc4CCC(CC(=O)N)c4c23)(N)C	12
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2c3c4c(CCC4COS(=O)(=O)C)sc3ncn2)C	7
+CC(C)(C)OC(=O)NC1(CCC1)CCN2CC(C2)Oc3ccc(cc3)Cl	15
+C1N(CC1Oc2ccc(cc2)Cl)CCC3(CCC3)N	12
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(c4C(=O)N(C(S(=O)(=O)C)=Nc4o3)C)-c5ccccc5	7319
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3nc4ccc(C(=O)O)nn4c3-c5ccccc5	6
+c1ccccc1-c2n3nc(ccc3nc2-c4ccc(cc4)C5(CCC5)N)C(=O)OCC	12
+c1cc(ccc1)-c2c(nc3n2nc(Cl)c(C)c3C)-c4ccc(cc4)C5(CCC5)N	12
+c1cc(ccc1-c2nc3c(c(c(nn3c2-c4ccccc4)SC)C)C)C5(CCC5)N	12
+FC(F)(F)Cc1nnc2n1-c3c(nc(-c4ccc(cc4)C5(CCC5)NC(=O)OC(C)(C)C)c(-c6ccccc6)c3)OC2	7320
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(n4nc(ccc4n3)C(=O)OC)-c5ccccc5	272
+c1ccccc1-c2cn3c(nc2-c4ccc(cc4)C5(CCC5)N)c6c(ccc(F)c6)n3	12
+C1CCC1(c2ccc(cc2)-c3oc4NC(N(C)C(=O)c4c3-c5ccccc5)=NCCOC)N	12
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(n4c(c(C)c(C)c(Cl)n4)n3)-c5ccccc5	2413
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(n4nc(c(c(c4n3)C)C)SC)-c5ccccc5	2413
+CC(C)(C)OC(=O)NC1(C(CCC1)N)C	7321
+CC(C)(C)OC(=O)NC1(CCCCC1)CNc2c3ccccc3ncc2N	13
+CC(C)(C)OC(NC1(CN(CCC1)c2c3c(ncc2N)CCC3)C)=O	13
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2cccnc2N)C	161
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(NC(c4ccc(cc4)Cl)CC(=O)O)=O	4
+CC(C)(C)OC(NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(=O)NC(CCO)c4ccc(cc4)Cl)=O	21
+O=S(=O)(C)c1cnc(N2CCC(CC2)(C)N)cc1	12
+FC(F)(F)c1c(-c2nc(C(Nc3ncccc3N4CCC(CC4)(NC(=O)OC(C)(C)C)C)=O)c(nc2)N)nccc1OC	2683
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2cccnc2NC(=O)c3c(N)ncc(-c4ncccc4F)n3)C	2683
+C1CN(CCC1(C)N)c2c(NC(=O)c3c(N)ncc(-c4ncccc4F)n3)nccc2	12
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(C(=O)N)Cc2ccc(cc2)I)=O	207
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc(C)c(cc3)C#N)=O	143
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc(F)c(cc3)F)=O	143
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc4c(OC(N4CCCOC)=O)cc3)=O	143
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3ccc4c(N(C(CO4)=O)C)c3)=O	143
+CC(C)(C)OC(=O)NC1(COC(C)(C)OC1)CN2CCc3cc(ccc23)OCc4oc5c(c(Cl)cc(Cl)c5)c4	7322
+CC(C)(C)OC(=O)NC(CO)(CO)CN1c2c(cc(cc2)OCc3oc4c(c(Cl)cc(Cl)c4)c3)CC1	1192
+CC(C)(C)OC(NC1(COC(C)(C)OC1)c2oc3ccc(cc3c2)-c4nc(on4)-c5cc(Cl)c(cc5)OCCC)=O	1246
+CC(C)(C)OC(=O)NC12CC3CC1CC(C2)(C3)CN4C(c5c(cccc5)C4=O)=O	332
+CC(C)(C)OC(=O)NC12C3CC(C1)CC(CO)(C3)C2	118
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)(OS(=O)(=O)C)C2)=O	7
+CC(C)(C)OC(=O)NC12CC3CC(C1)OC(C(C2)C3)=O	4125
+c12c(C(=O)N(C1=O)CC34CC5(CC(CC5C3)C4)N)cccc2	12
+FC(F)C1(COCC(=N1)N)c2c(F)c(F)cc(c2)NC(=O)c3ncc(C#N)cc3C	4118
+c1cc(ccc1)C2N(C(=O)C(CCC2)N)CC3CC3	84
+C1CCN(CC(OC)=O)C(=O)C(N)C1	84
+CC(C)(C)OC(=O)NC1C(=O)N(Cc2ccc(cc2)-c3ccccc3CN)c4c(cccc4)CC1	107
+CC(C)(C)OC(=O)NC1C(N(c2ccc(cc2)O)CC1)=O	16
+CC(C)(C)OC(=O)NC1C(=O)N(Cc2ccc(cc2)-c3c(C#N)cccc3)c4c(cccc4)CC1	1126
+CC(C)(C)OC(=O)NC1COC(=O)C(CC)C(C(C)OC1=O)OC(=O)C(C)C	7323
+CC(C)(C)OC(=O)NC1COC(=O)C(C(OC(C(C)C)=O)C(OC1=O)C)CCOS(=O)(=O)C	7
+CC(C)(C)OC(NC1CN(CC(C2CC2)C1O)c3c4CCCc4ncc3[N+]([O-])=O)=O	264
+CC(C)(C)OC(=O)NC1CC(=C)CC1C(O)=O	4
+CC1(C)C(CC1N)C(NCCC(=O)OC)=O	12
+CC(C)(C)OC(=O)NC1C(CC(O)C1)C(OC)=O	167
+CC(C)(C)OC(NC1CC(Oc2cc(nc3cc(OC)ccc23)-c4ccccc4)CC1C(=O)O)=O	260
+O=S(=O)(c1cc(Nc2c3c(CNC3=O)cc(NC4C(N)CCC4)n2)ccc1)C	12
+O(C(=O)C1CCCCC1N)C	12
+N#CCC1CCCCC1N	12
+Clc1c(nc(c2c1CNC2=O)-c3cn(C)nc3)NC4CCCCC4N	12
+n1cccnc1-c2cc(ccc2)Nc3c(C#N)ncc(n3)NC4CCCCC4N	12
+CC(C)(C)OC(NC1CCCCC1OS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)NC1C(CCNC1)N2C(c3ccccc3C2=O)=O	62
+CC(C)(C)OC(=O)NC1CN(CCC1N2C(c3c(cccc3)C2=O)=O)C(=O)C	58
+CC(C)(C)OC(NC1CN(CC1O[Si](C)(C)C(C)(C)C)Cc2ccccc2)=O	19
+CC(C)(C)OC(NC1C(CNCC1)OC)=O	62
+CC(C)(C)OC(=O)N(C1C(F)CN(C1)C(OCc2ccccc2)=O)C	397
+C1CC(CCC1)C(N2CC(C(N(CC(=O)c3ccccc3C)c4cc(C)ccc24)=O)N)=O	84
+CC(C)(C)C(N1c2ccccc2N(C(C(N)C1)=O)CC(c3ccccc3C)=O)=O	84
+CC(C)(C)OC(=O)NC1C(=O)N(c2ccc(cc2)OCc3c(cccc3F)F)CC1	22
+CC(C)(C)OC(NC1C(=O)N(C)c2ccccc2N(C1)C(=O)c3ccccc3)=O	448
+FC(F)(F)c1cc(c(C(=O)NC2CCCC2NC(OC(C)(C)C)=O)c(SC)c1)OC	14
+CC(C)(C)OC(=O)NC1CCCC1Nc2ncc(nc2)C(F)(F)F	464
+CC(C)(C)OC(=O)NC1C(Nc2nc(c(c(c2)C#N)C(OC)=O)Nc3cc(ccc3)S(=O)(=O)C)CCC1	70
+CC(C)(C)OC(=O)NC1CCSC2N(C(C(=O)O)CCC2)C1=O	4
+CC(C)(C)OC(NC1CCN(Cc2ccc3ccnc(Cl)c3c2)C1=O)=O	806
+CC(C)(C)OC(NC1C(=O)N(c2c(ccc(F)c2)OC1)C)=O	239
+Cc1cc(cc(C)c1)Nc2cc(NC3CCCCC3N)nnc2C(N)=O	12
+CC(C)(C)OC(=O)NC1CCS(=O)(=O)CC1Nc2cnc(C#N)c(Nc3cc(OC)cc(C)n3)c2	2645
+CC(C)(C)OC(=O)NC1CCCCC1Nc2cc3c(C(=O)NC3)c(n2)-c4cnn(C)c4	2798
+CC(C)(C)OC(=O)NC1C(CCC1)Nc2cc3CNC(c3c(Nc4cccc(S(=O)(=O)C)c4)n2)=O	2798
+CC(C)(C)OC(NC1CNCCC1O)=O	62
+CC(C)(C)OC(=O)NC1C(CCN(C(=O)OCc2ccccc2)C1)N3C(=O)c4ccccc4C3=O	1579
+C(N1C(=O)C=Nc2ccc(OC)cc12)CN3CCC(N)C(C3)OC	12
+C(N1C(=O)C=Cc2ccc(C#N)cc12)CN3CCC(N)C(C3)OC	12
+CC(C)(C)OC(=O)NC1C(OC)CN(CC1)CCN2C(C=Cc3c2cc(cc3)C#N)=O	160
+c1c2CC(OC)C(N)c2ccc1	12
+CC(C)(C)OC(=O)NC1C2(CC2)CN(C1)c3c(cc(c(F)c3OC)C(O)=O)F	6
+CC(C)(C)OC(NC1C2C1CN(C2)C(c3ccc(cc3)NC(c4ccc(cc4)F)=O)=O)=O	30
+c1cc(ccc1NC(=O)C2CC(CC2N)=C)Cl	12
+CC(C)(C)OC(=O)NC1CC(CC1C(=O)O)=O	7324
+CC(C)(C)OC(=O)NC1CC(=C)CC1C(Nc2ccc(cc2)Cl)=O	33
+c1(cc2NC(=O)COc2cc1)N3CC(N)CC3=O	12
+C1CN(CCO1)C(=O)C2CC(C2(C)C)N	12
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(=O)C3(CC(CC3)NC(=O)OC(C)(C)C)C(C)C	10
+CC(C)(C)OC(=O)NC1CCC(C(N2Cc3cc(C(F)(F)F)ccc3CC2)=O)(C(C)C)C1	10
+CC(C)(C)OC(=O)NC1CN(CC(C)C1)c2ccncc2[N+](=O)[O-]	264
+CC(C)(C)OC(NC1CC(C1)CN=[N+]=[N-])=O	133
+CC(C)(C)OC(=O)NC1CC(c2c(cncc2)NC(=O)c3ccc(c(Br)n3)F)CC(C)C1OC(=O)C	510
+CC(C)(C)OC(=O)NC1CC(CC(c2c(cncc2)NC(=O)c3nc(c(F)cc3)-c4c(F)cc(cc4F)C=C)C1)C	443
+CC(C)(C)OC(=O)NC1CC(CC(c2c(cncc2)NC(=O)c3nc(-c4c(cc(cc4F)CC)F)c(F)cc3)C1)C	1393
+CC(C)(C)OC(=O)NC1CCC(C(=O)N)C1	327
+CC(C)(C)OC(=O)NC1CC(CC1)COS(=O)(=O)c2ccc(cc2)C	36
+CC(C)(C)OC(=O)NC1CC(CC1)n2c3c4ccn(c4ncc3nn2)S(=O)(=O)c5ccccc5	7325
+c1ccccc1-c2nc(C3CCC(N)C3)on2	12
+c1cc(ccc1)S(=O)(=O)n2ccc3c2ncc4nnn(C5CC(CC5)N)c34	12
+CC(C)(C)OC(=O)NC1C(CC(C1)O)C(=O)O	100
+CC(C)(C)OC(NC1CCCC(NC(c2ccc(nc2)-c3cccc(F)c3)=O)C1)=O	56
+CC(C)(C)OC(=O)NC1CC(CCC1)Nc2nc(ncc2F)-c3cn(c4ncc(cc34)F)S(=O)(=O)c5ccc(cc5)C	4126
+c1cc(ccc1C)S(=O)(=O)n2cc(c3cc(cnc23)F)-c4nc(c(F)cn4)NC5CCCC(N)C5	12
+C1CN(CCO1)CC2CC(N)CC2	12
+CC(C)(C)OC(=O)NC1CC(N(C1)C(=O)CN(C(=O)OC(C)(C)C)C)C(=O)O	4
+c1ccccc1COC(NC2C(=O)N(C3C(CC(N)CC3)NC(C)=O)CC2)=O	12
+CC(C)(C)OC(=O)NC1CC(CC1)Nc2c(N)cnc3n(S(=O)(=O)c4ccccc4)ccc23	13
+CC(C)(C)OC(NC1CC(OC)C(CC1)CO)=O	95
+FC(F)(c1ccccc1)c2nc(on2)C3CC(N)CC3	12
+CC(C)(C)OC(NC1CC(O)CC1)=O	100
+CC(C)(C)OC(=O)NC1CCC(C(Nc2cc(ccn2)-c3ccc(cc3OC)F)=O)C1	1153
+FC(F)(F)c1cc2c(cc1)CCN(C(C3(CC(CC3)N)C(C)C)=O)C2	12
+n1ccc(-c2ccc(cc2OC)F)cc1NC(=O)C3CC(N)CC3	12
+CC(C)(C)OC(NC1CCC(C)NCC1O)=O	62
+O=S(=O)(N1CC(C(CCC1C)N)O)c2ncccc2	12
+CC(C)(C)OC(=O)NC1COC(CCO)CC1	21
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2cc(Br)cc(C(OC)=O)c2C	231
+CC(C)(C)OC(=O)NC1CCC(CC1)C(N(OC)C)=O	164
+CC(C)(C)OC(=O)NC1CCC(CC1)COC	21
+CC(C)(C)OC(N(C1CCC(CC1)C(=O)N(OC)C)C)=O	397
+CC(C)(C)OC(NC1CCC(CC1)CNc2ccccc2)=O	291
+C1CC(CCN1C(CCC2CCC(CC2)N)=O)Cc3c(ccc(OC)c3)Br	12
+C1CC(CCC1N)CCCCCBr	12
+C1CN(CCC1C(=O)c2cc(Cl)ccc2Cl)CCC3CCC(CC3)N	12
+C1CC(CCC1CNC(OCc2ccccc2)=O)N	12
+CC(C)(C)OC(=O)NC1CCC(CC1)C=O	24
+CC(C)(C)OC(=O)NC1CCC(CC1)CO	88
+CC(C)(C)OC(NC1CCC(CC1)NC(=O)c2cc(c(cc2)F)F)=O	14
+CC(C)(C)OC(NC1CCC(CC1)NC(c2cnc(-c3cccc(F)c3)cc2)=O)=O	56
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cc(-c3ccc(cc3)O)cc(c2C)C(OC)=O)CCC	11
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2c(c(C(=O)NCc3c(cc(C)nc3OC)CCC=C)ccc2)CC=C)CC	14
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cccc(C(O)=O)c2CC=C)CC	1
+CC(C)(C)OC(N(C1CCC(CC1)N2CCCC2)C)=O	397
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2ncnc3sc4CCC(CC(CC)O)c4c23	3670
+C1CC(CCC1N)Nc2c3ncc(n3ccn2)-c4ccnc(NCc5ccccc5)n4	12
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2c3ncc(-c4nc(ncc4)S(=O)C)n3ccn2	172
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2c3n(c(cn3)-c4nc(NCc5ccccc5)ncc4)ccn2	306
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cc(cc(c2C)C(=O)OC)Br)CCC	713
+C1CC(CCC1Nc2ncc3c([nH]nc3-c4nc(NCc5ccc(cc5)Cl)ncc4)n2)N	12
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2ncc3c(n2)n[nH]c3-c4nc(ncc4)S(C)=O	172
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2nc3[nH]nc(-c4nc(ncc4)NCc5ccc(cc5)Cl)c3cn2	306
+C1CC(CCC1N)Nc2ncnc3c2c4C(CCc4s3)CC(O)CC	12
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2c3c(sc4c3C(CC=O)CC4)ncn2	24
+CC(C)(C)OC(=O)NC1CCC(CC1)OC(=O)n2cncc2	7326
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC#N	143
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC(=O)N	83
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC(=O)O	3
+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(c2)Nc3nc4c(cn3)ncn4-c5ccc(cc5)OCC	4127
+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(Nc3nc(Nc4ccc(cc4)OCC)c(cn3)N)c2	193
+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(Nc3nc(c([N+](=O)[O-])cn3)Nc4ccc(cc4)OCC)c2	486
+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(c2)N	209
+CC(C)(C)OC(NC1CC(CCC)C(CC1)N2CCC(N)C2=O)=O	334
+c1ccccc1COC(=O)NC2C(N(CC2)C3CCC(CC3CCC)N)=O	12
+c1c2c(ccc1OC)c(cc(n2)NC3CCC(N)C3)C	12
+FC(F)n1ncc2NC(=O)C(CCCC(c3cc(ncc3)-c12)N)C	12
+CC(C)(C)OC(NC1CCCC1(O)C)=O	2799
+CC(C)(C)OC(=O)NC1CCCC1C=C	2800
+c1cc(ccc1CN2CC3(CCC2)CCCCC3N)F	12
+C1C(CN1CC2CCCCC2N)Oc3ccc(cc3)Cl	12
+c1cc(ccc1C)S(=O)(=O)n2cc(c3cc(Cl)cnc23)-c4ncc(c(n4)NCC5CCCCC5N)F	12
+CC(C)(C)OC(NC1C(CCCC1)C=O)=O	24
+CC(C)(C)OC(NC1C(CCCC1)COS(=O)(=O)C)=O	7
+C1c2cc(NC3CCCCC3N)nc(-c4cn(C)nc4)c2C(N1)=O	12
+CC(C)(C)OC(=O)NC1C(CCCC1)Nc2c(Cl)c3CNC(=O)c3c(-c4cnn(C)c4)n2	395
+c1ccc(nc1Nc2c(nnc(NC3CCCCC3N)c2)C(N)=O)OCC	12
+CC(C)(O)c1nc(Nc2c(nnc(c2)NC3CCCCC3N)C(=O)N)ccc1	12
+CC(C)(C)OC(NC1CCCN(c2n(c3C(=O)N(C)C(N(C)c3c2C(O)C)=O)Cc4ccccc4Cl)C1)=O	2129
+CCCC(=O)Nc1c2c([nH]c1)ncc(Cl)c2N3CC(CCC3)N	12
+CC(C)(C)OC(=O)NC1CN(c2c(cnc3CCCc23)NC(c4nc(sc4)-c5c(cccc5F)F)=O)CCC1	7327
+CC(C)(C)OC(=O)NC1CCCN(c2ccc(Nc3c(cnc4ccc(nc34)-c5cc(c(c(F)c5)O)Cl)C(C)=O)cn2)C1	1592
+c1cc(ccc1C(N2CCOCC2)=O)Nc3nc(N4CCCC(N)C4)ccc3C(=O)N	12
+c1cc(ccc1Nc2nc(N3CCCC(N)C3)ccc2C(=O)N)N(CC)CC	12
+CC(C)(C)OC(NC1C(C)N(C(=O)CNc2c3c(ncn2)cc(Cl)c(Cl)c3)CC1)=O	2801
+CC(C)(C)OC(=O)NC1CCN(C(=O)CN)C1C	334
+c1ccccc1-c2ccccc2NC(OC3CCN(CC3)CC(=O)N4CCC(N)C4)=O	12
+c1cccc(-c2nc(c3c(n2)cc(C)cc3)N4CC(N)CC4)c1O	12
+CC(C)OC(c1c(nccc1)N2CCC(N)C2)=O	12
+CC(C)(C)OC(N(C1CN(CC1)c2c(cccn2)C(OC(C)C)=O)CC)=O	2802
+CC(C)(C)OC(=O)N(C)C1CN(c2ncccc2C(OC(C)C)=O)CC1	397
+C1CC(CCN1C(=O)OCc2ccccc2)N3C(C(N)CC3)=O	84
+c1cc(ccc1)CC(F)(F)C(=O)N2CCC(CC2)N	12
+Clc1cc(cc(Cl)c1)COC(N2CCC(CC2)N)=O	12
+CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC(c3cc(c(C#N)cc3)F)=CC(=O)N2CC	7328
+C1CN(CCC1N)C2=NC(c3cc(c(C#N)cc3)F)=CC(=O)N2CC	12
+C1CC(CCO1)N2CCC(CC2)N	12
+C1CN(CCC1N)CC2(O)c3c(Cl)cnc4C=CC(=O)N(c34)C2	12
+C1CC(CCN1CCN2C(=O)C=Nc3ccc(cc23)OC)N	12
+C1CC(CCN1CCN2c3cc(OC)cnc3C=CC2=O)N	12
+C1CC(CCN1CCO)N	12
+CC(C)(C)OC(=O)NC1CCN(CC1)CCOc2nc3c(ccc(OC)c3)nc2	1534
+C1CN(CCC1N)CCOc2nc3c(ccc(OC)c3)nc2	12
+C1CC(CCN1CCSc2cnc3c(cc(cc3)OC)c2)N	12
+C1CN(CCC1N)CCSc2nc3cc(ccc3nc2)OC	12
+C1CC(CCN1Cc2cc(c(Cl)cc2)OCC)N	12
+C1CC(CCN1Cc2ccc(OC)c(OCC)c2)N	12
+C1CC(CCN1Cc2ccc3c(OCCO3)c2)N	12
+C1CN(CCC1)C(c2ccc(cc2)S(=O)(=O)N3CCC(CC3)N)=O	12
+O=S(=O)(N1CCC(CC1)N)c2ccc(cc2)N(C)C(C3CCOCC3)=O	12
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)N	0
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)N2CCC(CC2)N	12
+c1cc(ccc1Br)N2CCC(CC2)N	12
+C1CN(CCC1N)c2cc(c(F)cn2)-c3nc4ccccc4n3C	12
+C1CN(CCC1N)c2ccc(C#N)cn2	12
+C1CN(CCC1N)c2c3ccccc3c(nn2)-c4ccnn4C	12
+CC(C)(C)OC(=O)NC1CCN(CC1)c2nnc(-c3ccnn3C)c4ccccc24	7329
+CC(C)(C)OC(=O)NC1CCN(C1)c2ccc(C(O)=O)c(NC3CC3)c2F	6
+CC(C)(C)OC(=O)NC1CCN(CC1)C(OCc2cc(Cl)cc(Cl)c2)=O	7330
+CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC(Cl)=CC(=O)N2CC	2803
+CC(C)(C)OC(=O)NC1CCN(CC1)CC2CN3C=4N2C(=O)C=CC=4N=CC3=O	123
+CC(C)(C)OC(NC1CCN(CC1)c2c3cc(F)ccc3nc(-c4c(cccc4)O)n2)=O	54
+CC(C)(C)OC(=O)NC1CCN(CC1)Cc2cc(c(Cl)cc2)OCC	48
+CC(C)(C)OC(=O)NC1CCN(CC1)Cc2ccc(OC)c(OCC)c2	48
+CC(C)(C)OC(=O)NC1CCN(CC1)Cc2ccc3c(OCCO3)c2	48
+CC(C)(C)OC(=O)NC1CCN(CC1)CCN2c3cc(OC)cnc3C=CC2=O	61
+CC(C)(C)OC(=O)NC1CCN(CC1)c2ccc(cc2)Br	560
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(O)=O	92
+CC(C)(C)OC(=O)NC1CCN(CC1)CC2(O)c3c(Cl)cnc4C=CC(=O)N(c34)C2	236
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)[N+]([O-])=O	92
+CC(C)(C)OC(=O)NC1CCN(CC1)c2ncc(cc2)C#N	43
+CC(C)(C)OC(=O)NC1CCN(CC1)c2ncc(c(c2)-c3nc4ccccc4n3C)F	323
+CC(C)(C)OC(=O)NC1CCN(CC1)CCc2c3c(ncc2)ccc(C#N)c3	7331
+CC(C)(C)OC(NC1CCCN(CC1)CCN(C)C)=O	236
+CC(C)(C)OC(NC1CCOCC1COc2c(F)cc(cc2)-c3ncc(cc3)Cl)=O	20
+CC(C)(C)OC(=O)NC1CCOCC1COc2ccc(cc2)-c3ccc(C#N)cn3	20
+O=S1(=O)CCC(N)C(Nc2cc(c(nc2)C#N)Nc3cc(OC)cc(C)n3)C1	12
+CC(C)(C)OC(=O)NC1CCSC2N(C(CCC2)C(NCCC)=O)C1=O	9
+CC(C)(C)OC(NC1c2cccc(C(NO)=N)c2CC1)=O	181
+CC(C)CC(N1CCC(N)C1)C(Nc2cc(c(cc2)-c3ocnc3)OC)=O	12
+CC(C)(C)OC(=O)NC1CCN(C(CN2CCC(CC2)OC(=O)Nc3ccccc3-c4ccccc4)=O)C1	589
+CC(C)(C)OC(=O)NC1CN(CC(C1)C)c2ccncc2N	13
+CC(C)(C)OC(=O)NC1CN(c2ccncc2NC(c3nc4c(csc4cc3)Br)=O)CC(C)C1	510
+CC(C)(C)OC(=O)NC1CN(c2c(NC(=O)c3ccc4cc(oc4n3)C5CC5C)cncc2)CC(C)C1	510
+CC(C)(C)OC(=O)NC1CN(CC1)C(CN(c2ccc(cc2)Oc3ccccc3)C(=O)C=Cc4ccccc4)=O	472
+c1ccccc1C=CC(=O)N(CC(=O)N2CCC(N)C2)c3ccc(cc3)Oc4ccccc4	12
+c1cc(ccc1)COC(N2CC(N)CC2)=O	12
+O=S(=O)(c1c(C)c(Cl)ccc1)N2CC(N)CCC2	12
+CC(C)(C)OC(=O)NC1CCCN(C1)c2n(c3C(N(C(N(C)c3c2C=O)=O)C)=O)Cc4ccccc4Cl	287
+CC(C)(C)OC(NC1CN(CCC1N)C(C)=O)=O	45
+c1c(F)c(c(cc1)F)-c2nc(C(=O)Nc3cnc4CCCc4c3N5CC(N)CCC5)cs2	12
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(ncc2N)CCC3)C1	13
+C1C(CC1)n2c3nc(C(=O)Nc4c(ccnc4)N5CC(CC(C5)C)N)ccc3cc2	12
+CC(C)(C)OC(=O)NC1CN(c2c3c(OCC3)ncc2N)CC(C1(C)O)C	13
+C1C(N)CN(c2cc(ccc2)OCC(OC)=O)CC1	12
+CC(C)(C)OC(=O)NC1CCCN(c2cc(O)ccc2)C1	16
+C1C(N)CN(c2nc3c(ncnc3cc2)N)CC1	12
+CC(C)(C)OC(NC1C(CC)N(c2nc(C)c(s2)C(=O)OCC)C1)=O	641
+CC(C)(C)OC(=O)NC1C2(CC2)CN(c3c(c(c(C(OCC)=O)cc3F)F)OC)C1	34
+CC(C)(C)OC(=O)NC1C(=O)OC(C)C(C(CCI)C(=O)OC1)OC(C(C)C)=O	572
+CC(C)(C)OC(=O)NC1C(=O)OC(C)C(C(CCO)C(=O)OC1)OC(C(C)C)=O	21
+CC(C)(C)OC(=O)NC1CCC(CC(=O)O)OC1	4
+CC(C)(C)OC(=O)NC1COC(CC1)CC=O	24
+CC(C)(C)OC(NC1C(O)C(Cc2cc(F)c(c(F)c2)[N+]([O-])=O)CSC1)=O	100
+CC(C)(C)OC(NC1Cc2ccc(cc2C1)Oc3ncc(C(=O)N)cc3)=O	136
+CC(C)(C)OC(=O)NC1Cc2cc(ccc2C1)C#N	160
+C1CC1C2C(C)C(N)c3cc(Br)ccc3N2C(C)=O	12
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3cccc4c3CCC4N)cc1	12
+CC(C)(C)OC(=O)NC1c2ccccc2C(CC1)OCc3ccnc(c3)N	149
+C(Nc1nccc(c1)COC2CCC(N)c3ccccc23)(COC)=O	12
+CC(C)(C)OC(=O)NC=1COCC(c2cc(cc(c2F)F)N)(N=1)C(F)F	0
+CC(C)(C)OC(=O)NC1=NC(c2c(c(F)cc(c2)NC(=O)c3ncc(C#N)cc3C)F)(COC1)C(F)F	187
+CC(C)(C)OC(NCC#CC=1c2nc(Nc3ccc(cc3)N4CCOCC4)ncc2C(N(c5c(cccc5Cl)Cl)C=1)=O)=O	1334
+CC(C)(C)OC(NCCCc1c(nc(nc1NCCCCC)N)C)=O	2065
+C1(c2c(cccc2)CN(C1)C(=O)CN)OC	84
+C1CN(CCN1C(CN)=O)C(CN2C(c3c(cccc3)S2)=O)=O	84
+CC(C)(C)OC(NCC(=O)NC(C(=O)NC)Cc1ccccc1)=O	9
+CC(C)(C)OC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O	4
+CC(C)(C)OC(=O)NCC(Nc1cc(c(C=O)cc1)Cl)=O	39
+CC(C)(C)OC(=O)NCC(C=O)C	378
+c1cc(ccc1COC(c2c(C)cc(cc2)C)=O)C(C(Nc3cc(c(C(=O)N)cc3)F)=O)CN	12
+NCC(C(Oc1c2nc(-c3n4ccccc4nn3)ccc2ccc1)CC)CC	12
+CC(C)(C)OC(NCC(C)(C)CNS(=O)(=O)c1cccc2c1ccnc2)=O	71
+CC(C)(C)OC(=O)NCC(C)(C)COc1c2nc(ccc2ccc1)-c3nnc4cc(C)ccn34	1920
+CC(C)(C)OC(NCC(C)(C)NS(=O)(=O)C)=O	2804
+CC(C)(C)OC(=O)NCC(C)(C)NC(=O)c1ccc2c(nccc2-c3c(-c4cccc(n4)C)nn5CCCc35)c1	14
+c1cc(ccn1)-c2c(nc(C(C)(C)CN)[nH]2)-c3ccc(Cl)c(OC)c3	12
+CC(C)(C)OC(=O)NCC(C(N(C)OC)=O)C	164
+CC(C)(C)OC(NCC(C)NC(=O)c1ccccc1O)=O	14
+CC(C)(C)OC(NCC(C)OCCOC)=O	76
+CC(C)(C)OC(=O)NCC(C)c1c([nH]c2ccc(C(C)(C)C(=O)O)cc12)-c3cc(C)cc(C)c3	3
+c1cc(ccc1C(CN)C)C#Cc2ccc(cc2)OCCC	12
+CC(C)(C)OC(NCC(C1CC1)N(C(=O)c2c(sc(C)n2)-c3ccccc3)C)=O	837
+CC(C)(C)OC(NCC(N)C1CC1)=O	7332
+CC(C)(C)OC(NCC(CNC(C(=O)OC)C)C)=O	1315
+CC(C)(C)OC(NCC(CN1CCC(CC1)Oc2ccc(cc2)F)NC(OCc3ccccc3)=O)=O	183
+c1cc(ccc1F)OC2CCN(CC2)CC(CN)NC(C=Cc3c(ccc(c3)C#N)OC)=O	12
+CC(C)(C)OC(=O)NCC1COCc2nc3c(c4ccccc4nc3)n12	2130
+CC(C)(C)OC(=O)NCC(COCC)N	45
+CC(C)(C)OC(NCC(N1CCC(CC1)(C(NCc2ncccc2C)=O)COC(Nc3ccc(cc3)CC)=O)=O)=O	589
+CC(C)(C)OC(=O)NCC(N1CCC(CC1)(C(=O)NCc2c(cccn2)C)CO)=O	9
+CC(C)(C)OC(=O)NCC(N1CCC(CC1)(C(=O)O)CO)=O	4
+FC(F)(F)c1ccccc1C(N2CCN(CC2)C(=O)CN)=O	84
+n1cc(cnc1N)-c2nc3c(sc(c3C)CN4CCN(CC4)C(CN)=O)c(n2)N5CCOCC5	84
+CC(C)(C)OC(=O)NCC(CI)NC(=O)OCc1ccccc1	343
+c1cc(ccc1C=2c3c(-n4c(C(CC(NCCNC(=O)CN)=O)N=2)nnc4C)ccc(c3)OC)Cl	84
+CC(C)(C)OC(=O)NCC(N1C(=O)c2ccccc2C1=O)Cc3ccccc3	1579
+CC(C)(C)OC(=O)NCC(c1ncc(C(=O)O)cc1)O	1
+c1cc(ccc1COC(CN)=O)Nc2cc(-c3c(ccc(Cl)c3)OCC)nc(N)n2	689
+CC(C)(C)OC(NCC(SC(C)=O)C)=O	2128
+CC(C)(C)OC(NCC(N=[N+]=[N-])C)=O	298
+CC(C)(C)OC(=O)NCC(c1c(C)cccc1C)COCc2c(F)cccc2F	149
+CC(C)(C)OC(=O)NCC(O)c1ccc(C(=O)OC)cn1	1394
+CC(C)(C)OC(=O)NCC(C(Nc1cc(c(C(=O)N)cc1)F)=O)c2ccc(cc2)COC(c3c(C)cc(cc3)C)=O	7333
+c1cc(ccc1Cl)C(CN)CC(=O)Nc2ccccc2	12
+CC(C)(C)OC(NCC(c1ccccc1)N)=O	45
+CC(C)(C)OC(=O)NCC(c1ccccc1)N2C(c3ccccc3C2=O)=O	2131
+CC(C)(C)OC(=O)NCC(c1ncc(C(=O)NCc2ccccc2)cc1)O	56
+C1CC1(c2nnc(o2)C3CCC4N(C(=O)N3C4)OCc5ccccc5)CN	12
+C1CN(CCO1)C2(CN(C2)S(=O)(=O)CCC)CN	12
+CC(C)(C)OC(NCC1(CCNC1)O)=O	25
+CC(C)(C)OC(=O)NCC1(CN(C1)S(=O)(=O)CCC)N2CCOCC2	112
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(c2c(C=1OCCCC)cc(cc2)O)=O	16
+CC(C)(C)OC(NCC1CCC(CC1)c2ccc(cc2)N)=O	890
+CC(C)(C)OC(NCC1CCNC1)=O	25
+CC(C)(C)OC(NCC1C(=NOC)CNC1)=O	62
+CC(C)(C)OC(=O)NCC1n2c3c(nc2COC1)c[n+](c4c3cccc4)[O-]	359
+C(C1COCc2nc3c(N)nc4c(c3n12)cccc4)N	12
+CC(C)(C)OC(NCC(CNc1cc2c(N(CCF)C(C2)=O)c(c1)F)O)=O	843
+CC(C)(C)OC(NCC(O)CNc1cc2CCOC(N(C)c2cc1)=O)=O	843
+CC(C)(C)OC(N(CCCC(C)C)CC1CCCc2c(Oc3ncc(cc3)C#N)cccc12)=O	7334
+CC(C)(C)OC(=O)NCC1n2c3c4c([n+]([O-])c(c3nc2COC1)N)cccc4	574
+CC(C)(C)OC(=O)NCC1COCc2nc3c(nc4c(c3n12)cccc4)N	445
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(=O)c2c(C=1OCCCC)cc(cc2)-c3sc(c(C)n3)C#N	1812
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(=O)c2c(C=1OCCCC)cc(cc2)-c3sc(c(C)n3)C(N)=O	1169
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(=O)c2c(cc(-c3nc(c(C(=O)O)s3)C)cc2)C=1OCCCC	6
+CC(C)(C)OC(=O)NCC1=C(c2c(ccc(OCC(=O)N)c2)C(=O)N1CC(C)C)OCCCC	2805
+C(C=Cc1cc2c(ncnc2cc1)Nc3cc(c(cc3)Oc4cnc(C)cc4)Cl)N	4120
+CC(C)(C)OC(NCCC#Cc1ccc(c(NCC)n1)C(NC)=O)=O	2348
+C1CC(CCC1)c2c3-c4ccccc4OCC(Cn3c5cc(C(OC)=O)ccc25)N(C)C(CCN)=O	12
+CC(C)(C)OC(NCCC(=O)Nc1ccc(cc1)C#CCCNC(=O)OCc2ccccc2)=O	121
+C(CC)N(CCC)C(COC(CCN)=O)=O	12
+CC(C)(C)OC(NCCC(NC(OC(C)(C)C)=O)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)NCCC(c1ccccc1)Nc2nccc(-c3n4ccnc(N5CCN(CC5)C)c4nc3)n2	435
+CC(C)(C)OC(NCCC(N)c1cc(ccc1)Cl)=O	45
+CC(C)(C)OC(=O)NCCc1nnc(C(C)C)o1	1037
+CC(C)(C)OC(=O)NCCc1oc(C)nn1	1037
+O=S(=O)(C)NC(=O)CCN	12
+CC(C)(C)OC(NCCC(Nc1ccc(cc1)CCCCNC(=N)NC(=O)c2c(nc(N)c(n2)Cl)N)=O)=O	4128
+CC(C)(C)OC(=O)NCCC(NNC(=O)C(C)C)=O	1038
+CC(C)(C)OC(NCCC(=O)N(CC(C)C)Cc1cc2OCCCOc2c(Cl)c1)=O	10
+CC(C)(C)OC(=O)NCCC(NNC(=O)C)=O	1038
+CC(C)(C)OC(=O)NCCC(NS(=O)(=O)C)=O	344
+CC(C)(C)OC(NCCC(Nc1ccc2c(n(S(=O)(=O)c3c4c(cccc4)ccc3)nc2)c1)=O)=O	33
+CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(cc1)I	33
+C1CCOC1COc2cccc(C(CCN)O)c2	12
+CC(C)(C)OC(NCCC(=O)c1cc(O)ccc1)=O	155
+CC(C)(C)OC(=O)NCCC(O)c1cc(OCC2OCCC2)ccc1	450
+CC(C)(C)OC(NCCC(O)c1cc(OCc2cccc(n2)C)ccc1)=O	885
+CC(C)(C)OC(=O)NCCC(c1cc(ccc1)OCc2ccncc2)O	22
+CC(C)(C)OC(NCCC(c1ccccc1)N2C(=O)c3c(C2=O)cccc3)=O	2131
+CC(C)(C)OC(=O)NCCC(O)c1cccc(O)c1	16
+CC(C)(C)OC(=O)N(CCC(c1ccc(cc1)N(C)c2ccc(cc2)OCc3ccccc3)C)C	397
+c1ccccc1C(CCN)Nc2nc(-c3n4ccnc(N5CCN(CC5)C)c4nc3)ccn2	12
+c1ccccc1C(CCN)Nc2nccc(n2)-c3n[nH]c4nc(NCCN5CCOCC5)ncc34	12
+CC(C)(C)OC(NCCC1(CCCC1)C(NC(Cc2ccc(cc2)[N+]([O-])=O)C(=O)OC)=S)=O	199
+c1cc(c(cc1CN2C(CCN)CC=CC2)Cl)Cl	12
+CC(C)(C)OC(N(C)CCC1CCN(CC1)C(OCc2cc(Cl)cc(Cl)c2)=O)=O	397
+C1CN(CCC1CCN)c2c3sc(C(N)=O)cc3nc(C)n2	12
+C1CC(CCN1c2ncnc3cc(C(N)=O)sc23)CCN	12
+CC(C)(C)OC(=O)NCCC1CCN(CC1)C(OCc2cc(Cl)cc(Cl)c2)=O	66
+CC(C)(C)OC(=O)NCCC1CCN(CC1)c2c3sc(C(N)=O)cc3nc(C)n2	2094
+CC(C)(C)OC(NCCC1CNCC1)=O	25
+CC(C)(C)OC(=O)NCCCN1c2c(cc3ccccc3c2)-c4nn(c(c4C1=O)C)C(OC(C)(C)C)=O	4129
+CC(C)(C)OC(=O)NCCCOc1c2CCCCc2c(C=O)cc1	8
+CC(C)(C)OC(=O)NCCCOc1cc(ccc1C(OC)=O)Br	8
+CC(C)(C)OC(=O)NCCCN1c2c(-c3nn(Cc4ccccc4)c(c3C1=O)C)cc5CCCCc5c2	4129
+CC(C)(C)OC(=O)NCCCN1C(CCC1)CN2N=C(Cc3ccc(cc3)Cl)c4ccccc4C2=O	28
+CC(C)(C)OC(=O)N(C)CCCC#C	397
+CC(C)(C)OC(NCCCC(C)(C)COS(=O)(=O)CCCNC(=O)C)=O	7
+C1N(CC1CCCCN)C(c2ccccc2)=O	12
+CC(C)(C)OC(=O)NCCCCC1CN(C1)C(c2ccccc2)=O	115
+CC(C)(C)OC(N(C)CCCCCC(OC)=O)=O	397
+CC(C)(C)OC(=O)NCCCCCC(C)O	684
+CC(C)(C)OC(=O)NCCCCCCN1C(=O)C=Cc2c1cccc2	7335
+CC(C)(C)OC(NCCCCCCNCCCn1c(nc2c(N)ncnc12)Sc3cc(Cl)cc(c3)Cl)=O	132
+c1cccc2N(C(C=Cc12)=O)CCCCCCN	12
+CC(C)(C)OC(=O)NCCCCCC=O	24
+CC(C)(C)OC(=O)NCCCCCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)NCCCCCn1cnc(-c2ccccc2)c1-c3ccccc3	1193
+c12cnc(-c3cnn(CCCCCN)c3)cc1c4cc(cnc4[nH]2)OC	12
+CC(C)(C)OC(NCCCCNCc1c(cccn1)-c2ccccc2)=O	294
+CC(C)(C)OC(NCCCCNc1c2c(cc(cc2)OCc3ccccc3)ncc1[N+]([O-])=O)=O	105
+CC(C)(C)OC(=O)NCCCCN1CCNCC1	62
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(=O)O	3
+CC(C)(C)OC(=O)NCCCCc1ccc(cc1)NCCCC(=O)OCC	601
+CC(C)(C)OC(=O)NCCCCc1ccc(cc1)NCCCC(N)=O	728
+c1cc(ccc1CCCCN)NCCCC(N)=O	12
+CC(C)(C)OC(NCCCCc1ccc(cc1)OCCNC(OCc2ccccc2)=O)=O	8
+CC(C)(C)OC(=O)NCCCCn1c(nc2c[n+](c3cc(OCc4ccccc4)ccc3c12)[O-])CCOC	359
+CC(C)(C)OC(=O)NCCCNC(C(C)C)C1=Nc2nc3c(cccc3)nc2C(=O)N1Cc4ccccc4	1682
+CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	71
+CC(C)(C)OC(=O)NCCCNC(Nc1cc([N+]([O-])=O)ccc1)=O	282
+CC(C)(C)OC(NCCCNc1c2ccccc2ncc1[N+]([O-])=O)=O	7336
+CC(C)(C)OC(=O)NCCCNC(=S)N	2806
+CC(C)(C)OC(=O)NCCCNC(=O)c1cnc(Nc2ccc(cc2)C#N)nc1NCCC	484
+CC(C)(C)OC(NCCCNC(CC)C=1N(C(c2c(N=1)onc2C)=O)Cc3ccccc3)=O	1682
+c1cc(ccc1Cl)CC=2c3ccccc3C(N(CC4CCCN4CCCN)N=2)=O	12
+c1cc(ccc1Cl)CC2CN(C2)CCCN	12
+C1CN(CCC12CCN(C2)c3ncnc4[nH]cc(c34)Cl)CCCN	12
+CC(C)(C)OC(NCCCN1CCC2(CC1)CCNC2)=O	62
+CC(C)(C)OC(=O)NCCCNC(=O)c1cnc(Nc2ccc(cc2)C(=O)N)nc1NCCC	216
+c1([N+]([O-])=O)cc(ccc1)NC(NCCCN)=O	12
+CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2c(Cl)c(ccc2)Cl)c1O	124
+CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(c([N+](=O)[O-])ccc1Cl)O	1683
+CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(Cl)ccc(N)c1O	0
+CC(C)(C)OC(NCCCn1c(CCCC)nc2cnc3c(c12)cccc3)=O	546
+CC(C)(C)OC(NCCCn1c(Nc2cc(OC)c(c(OC)c2)OC)nc3c1cc(cc3)C(OC)=O)=O	1023
+CC(C)(C)OC(=O)NCCCNc1cc(ccc1N)C(=O)OC	0
+CC(C)(C)OC(=O)NCCCOCCOCCOCCCNC(c1ccc(cc1)C#CC#N)=O	93
+CC(C)(C)OC(=O)NCCCOc1c2c(CCCC2)c(C=CCCN=[N+]=[N-])cc1	2053
+c1c(cc(c(C(=O)OC)c1)OCCCN)Br	12
+C(C=CCC=CCCC(N(CCN)C)=O)C=CCC=CCC=CCC=CCC	12
+CC(C)(C)OC(=O)NCCN(C)CCNC(CCC(=CCc1c(OC)c(C)c2c(C(OC2)=O)c1O)C)=O	9
+CC(C)(C)OC(=O)NCCN(C(OC(C)(C)C)=O)C1CCC(CC1)(O)CC(=O)O	210
+C1c2c(ccc(Br)c2)CC1N3CCNCC3=O	7337
+c12cc(C3=CC4N(CCN)C(C3)CC4)ccc1cccc2	12
+CC(C)(C)OC(NCCn1nc(cc1C(OCC)=O)OCc2ccccc2)=O	7338
+CC(C)(C)OC(NCCNC(=O)CCN)=O	102
+CC(C)(C)OC(NCCNC(=O)Nc1ccc(cc1)NC(=O)ON2C(CCC2=O)=O)=O	7339
+C(=CCC=CCC=CCCC(=O)NCCN)CC=CCC=CCC=CCC	12
+C1CN(CCN1C(C)=O)c2cc(ncc2)Nc3sc(cn3)-c4cc(cnc4)C(NCCN)=O	12
+n1c(Nc2c(Cl)cccn2)sc(c1)-c3cncc(C(NCCN)=O)c3	12
+CC(C)(C)OC(=O)NCCN(C(=O)c1ccccc1)Cc2ccc(OCc3ccccc3F)c(c2)OC	115
+CC(C)(C)OC(=O)NCCNS(=O)(=O)c1c2c(cc(-c3ccccc3)c1)cncc2	11
+n1c2c(cccc2)c(cc1-c3ccccc3O)NCCN	12
+CC(C)(C)OC(NCCOc1c(I)c(c(Cl)cc1C(C)=O)C#N)=O	20
+CC(C)(C)OC(=O)NCCON1C(=O)c2ccccc2C1=O	1395
+CC(C)(C)OC(NCCOc1ccc2c(ccn2S(=O)(=O)c3ccccc3)c1)=O	20
+CC(C)(C)OC(NCCOc1cc(Br)cnc1)=O	981
+CC(C)(C)OC(=O)NCCOCCOc1cc2c(c3c(cn2)nc(s3)CCC)cc1	116
+CC(C)(C)OC(=O)NCCOCCNC(c1ccccc1O)=O	3425
+CC(C)(C)OC(=O)NCCOCCNC(c1cnccc1)=O	56
+CC(C)(C)OC(NCCOCCNc1c(cnc2ccccc12)[N+](=O)[O-])=O	105
+CC(C)(C)OC(=O)NCCOCCN	18
+CC(C)(C)OC(=O)NCCOCCOc1c(OC)cc([N+]([O-])=O)cc1	262
+CC(C)(C)OC(=O)NCCOCCN=[N+]=[N-]	133
+CC(C)(C)OC(=O)NCCOCCOc1ccc(cc1OC)N	0
+CC(C)(C)OC(=O)NCCOCCOc1cc(N)ccc1	0
+CC(C)(C)OC(=O)NCCOCCOc1cc2c(cc1)c3c(nc(CCC)s3)c([n+]2[O-])N	7340
+CC(C)(C)OC(=O)NCCOCCOc1cc2[n+]([O-])cc3nc(CCC)sc3c2cc1	359
+CC(C)(C)OC(=O)NCCOCCOc1ccc2c3c(c(nc2c1)N)nc(CCC)s3	445
+c1c2c(ccc1OCCOCCN)c3sc(nc3c(N)n2)CCC	12
+CC(C)(C)OC(=O)NCCONC(=O)C1CCC2CN1C(=O)N2OCc3ccccc3	293
+CC(C)(C)OC(=O)NCCON	670
+CC(C)(C)OC(=O)NCCONC(=O)C1N2C(=O)N(O)C(CC1)C2	2674
+c1c(C)c(c(cc1OCCN)C)Br	12
+CC(C)Oc1ncc(c(C(=O)OC)c1C)OCCN	12
+CC(C)(C)OC(=O)NCCSCCCn1ncc(-c2nc(C(=O)OC)ccc2)c1	1105
+Clc1c[n+]([O-])cc(CCN)c1	12
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2cccc(Oc3nc(ncc3)Cl)c2	185
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2cccc(c2)Oc3ccnc(C#N)n3	738
+c1cc(ccc1-c2cccc(c2)Oc3ccnc(C#N)n3)CCN	12
+CC(C)(C)OC(=O)NCCc1ccc(cc1)C#N	160
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2cc(O)ccc2	11
+c1cc(ccc1C#N)CCN	12
+CC(C)(C)OC(NCCc1ccc(cc1)CO)=O	49
+CC(C)(C)OC(=O)NCCc1ccc(cc1)NCc2ccccc2	208
+CC(C)(C)OC(=O)NCCc1ccc(cc1)Oc2ccc(cc2)Cl	472
+c1cc(ccc1Oc2ccc(cc2)Cl)CCN	12
+c1cc(ccc1F)Oc2ccc(cc2)CCN	12
+CC(C)(C)OC(NCCc1c(cc(cc1)C(C)C)OCCCC(=O)OCC)=O	8
+CC(C)(C)OC(NCCc1cc(C#N)ccc1)=O	160
+CC(C)(C)OC(=O)NCCc1cc(Cl)c[n+](c1)[O-]	103
+Clc1cnc(CCN)c(Cl)c1	12
+CC(C)c1oc(CCN)nn1	12
+n1c(oc(CCN)n1)C	12
+c1c(c(I)ccc1OC)Sc2n(c3ncnc(N)c3n2)CCN	12
+FC(F)(F)Oc1cccc(c1)Oc2ccc(Nc3c4c(ncn3)ccn4CCN)cc2C	12
+CC(C)(C)OC(=O)NCc1ccc(-c2cc(nc(Cl)c2)OC)cc1F	91
+CC(C)(C)OC(NCc1c(cc(F)cc1)OCCCCS(=O)(=O)NC)=O	116
+FC(F)(F)c1cc(ccc1Nc2cc(F)c(CN)nc2)OC	12
+CC(C)(C)OC(=O)NCc1c(O)cc(F)cc1	16
+CC(C)(C)OC(=O)NCc1c2c(OC)cc(cc2c(cn1)C(=O)N(CCN(C)C)Cc3ccccc3)OC	211
+CC(C)(C)OC(NCc1ncc(c2cc(OC)cc(c12)OC)C(N3Cc4ccccc4CC3)=O)=O	211
+CC(C)(C)OC(=O)NCc1ncc(C(=O)N(Cc2ccccc2)C)c3cc(OC)cc(OC)c13	211
+CC(C)(C)OC(=O)NCc1c2c(OC)cc(OC)cc2c(C(O)=O)cn1	6
+c1ccccc1CN(CCN(C)C)C(c2cnc(c3c(OC)cc(OC)cc23)CN)=O	12
+CC(C)(C)OC(NCc1ncc(CC(O)=O)c2cc(c(OC)cc12)OC)=O	3
+CC(C)(C)OC(NCc1c(C)nc(c(C#N)c1)N)=O	1684
+CC(C)(C)OC(=O)NCc1ccc(O)c(C(N)=O)c1	169
+CC(C)(C)OC(=O)NCc1cc(Nc2nc3c(n2C)cc(c(c3)C(O)=O)OCC(F)F)c(Cl)cc1	6
+CC(C)(C)OC(=O)NCc1cc(Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(cc3n2C)OCC(F)F)c(Cl)cc1	67
+FC(F)COc1c(C(=O)Nc2ccc(cc2)Br)cc3nc(Nc4c(ccc(CN)c4)Cl)n(C)c3c1	12
+c1(c(Nc2c(cccc2)C(=O)NC)nc(nc1)Nc3cccc(CN)c3)Cl	12
+CC(C)(C)OC(=O)NCc1ccc(cc1F)-c2cc(nc(OC)c2)-c3cnn(C)c3	1396
+CN(C)CC1CCCN1c2c(Cl)cc3nc(Nc4cc(ccc4Cl)CN)[nH]c3c2	12
+c1cc(ccc1NC(=O)c2cc(ccc2OC)NC(c3cc(CN)ccc3Cl)=O)Br	12
+CC(C)(C)OC(=O)NCc1ccc(CO)c(Cl)c1	88
+CC(C)(C)OC(NCc1ccc(cc1)-c2cccc(OCCCCOCc3ccccc3)c2)=O	20
+CC(C)(C)OC(=O)NCc1ccc(cc1)-c2cc(O)ccc2	16
+c1cc(ccc1CN)-c2csc(NC(C3CC3)=O)n2	12
+CC(C)(C)OC(=O)NCc1ccc(cc1)-n2c3ccccc3c(Cl)c2C#N	1194
+CC(C)(C)OC(=O)NCc1ccc(cc1)-c2cccc(OCc3ccccc3)c2	11
+CC(C)(C)OC(=O)NCc1ccc(cc1)CO	98
+C1CCCCC1(c2ccc(cc2)CN)O	12
+CC(C)(C)OC(NCc1ccc(cc1)CNCCCCNC(=O)OCc2ccccc2)=O	42
+CC(C)NC(=O)Cc1ccc(cc1)CN	12
+CC(C)(C)OC(=O)NCc1ccc(cc1)CC(=O)NC(C)C	9
+CC(C)(C)OC(NCc1ccc(cc1)CNCc2ccc(cc2)F)=O	42
+CC(C)(C)OC(=O)NCc1ccc(cc1)C=O	39
+CC(C)(C)OC(=O)NCc1ccc(cc1)NC(=O)CCc2cccc3c2B(O)OC3	33
+c1cc(ccc1CN)N2C(=O)OC(C(=O)O)C2	12
+CC(C)(C)OC(=O)NCc1ccc(cc1)N2C(OC(C2)C(N3CCN(CC3)CCC(=O)OCc4ccccc4)=O)=O	10
+CC(C)(C)OC(=O)NCc1ccc(cc1)N2C(OC(C2)C(N3CCN(CC3)CCC(=O)O)=O)=O	210
+c1cc(ccc1CN)NC(=O)CCc2cccc3c2B(O)OC3	12
+c1(-c2cc(F)c(cc2)CN)cc(OC)nc(-c3cnn(C)c3)c1	12
+CC(C)(C)OC(=O)NCc1cccc([N+]([O-])=O)c1C(O)=O	1
+CC(C)(C)OC(=O)NCc1cccc(N)c1C(=O)O	0
+C1CCCCC1Cc2ccc(CN)cn2	12
+C1CCCCN1Cc2ccc(cn2)CN	12
+CC(C)(C)OC(=O)NCc1cnc(cc1)CCl	515
+CC(C)(C)OC(NCc1sc(c(C(F)(F)F)n1)C(N)=O)=O	4130
+Clc1cccc(CCNC(=O)c2nc(CN)sc2)c1	12
+CC(C)(C)OC(=O)NCc1nc2C(=O)N(C(=O)N(C)c2[nH]1)CCCCC(C)OS(=O)(=O)C	710
+CC(C)(C)OC(=O)NCc1sc(COC(C)=O)cn1	27
+C1CCCCC(C1)Oc2ccc(CN)nc2	12
+CC(C)(C)OC(=O)N(Cc1nnc(C)s1)c2nc(C)nc(c2)OCC3C(c4ncc(C(C)(C)O)cc4)C3	7341
+c1(sc(CNC=O)nc1)COC(=O)C	7342
+CC1(C)C2(C3=C(C(=O)N(N3)c4c(Cl)cc(cc4)F)C1CC2)C	7343
+CC1(C)C2C(C(C1(C)CC2)=O)C(N(c3ccc(cc3Cl)F)N)=O	2132
+CC(C)(C)OC(NN(C1CCCC1)c2nc(ncc2Br)C#N)=O	738
+O=S(=O)(c1ccc2c(c1)ccc(c2)Cl)N3CC(=O)N(N)CC3	2132
+CC(C)(C)OC(=O)NN1C(CN(S(=O)(=O)c2cc3c(cc(Cl)cc3)cc2)CC1)=O	3469
+NNC(c1ccc([N+]([O-])=O)cc1OCC)=O	1685
+Cc1ccc(cc1-c2cc3nnc(-c4c(cccc4)Cl)n3cc2)C(=O)NN	1685
+c1cc(ccc1-c2ncc(C#N)cc2)C3(CC3)C(NN)=O	2132
+CC(C)(C)OC(=O)NNC(=O)OCCc1ccc(cc1)N	0
+c1cc(ccc1-c2c(ccc(c2)C(=O)NC3CC3)C)C(NN)=O	1685
+c1ccccc1COC(=O)N2C3CC(C(C3)C2)NN	2133
+C1CC1C(NCc2ccc(c(N3NC(=NC3=O)c4c(cc(cc4)Cl)F)c2)Cl)=O	2807
+FC(F)(F)C(=O)NCc1cc(C2=NC(=O)N(N2)c3cc(Cl)c(F)cc3)c(cc1F)Cl	2807
+FC(F)(F)C(NCc1cc(c(Cl)cc1)C=2NC(=O)N(c3cc(Cl)c(cc3)F)N=2)=O	7344
+CC(C)C(=O)NCc1cc(N2NC(=NC2=O)c3ccc(c(F)c3)I)c(cc1)Cl	2807
+c1c(NN)ccc(C)c1Cl	2133
+C1CC1CNC(=O)c2cc(NN)ccc2	2133
+CC(C)(C)OC(NOC(Cc1ccccc1)C(=O)O)=O	210
+CC(C)(C)OC(=O)NOCC(NNC(=O)c1cc(cc(OCc2ccccc2)c1OCc3ccccc3)S(=O)(=O)O)=O	708
+CC(C)(C)OC(NOCCCCN)=O	45
+c12c(cc(OCC(NCCCCON)=O)cc1)OC(C=C2C)=O	7345
+CC(C)(C)OC(Nc1nc2cc(c(c(C)c2[nH]1)N)C)=O	0
+Cc1c(cccc1)-c2c(sc(C)n2)N	2808
+CC(C)(C)OC(=O)N(c1c(Br)c2cc(S(=O)(=O)C)ccc2cc1)CC=CCl	4131
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)CC(C(=O)OC)NC(C)=O)cn(C)n1)=O	1122
+C1C(CC1)C#Cc2cc(Cl)ncc2N	473
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4ccc(cc34)C5(CCC5)C(OCC)=O)N	7346
+Nc1c(ccnc1)C(=O)O	473
+CC(C)(C)OC(=O)Nc1sc(-c2c(cc(F)cc2)F)cc1C(OC)=O	268
+CC(C)(C)OC(Nc1sc(cc1C(=O)OC)-c2ccc(cc2)F)=O	268
+CC(C)(C)OC(=O)Nc1ccc(nc1COC(=O)C)Cl	174
+CC(C)(C)OC(=O)N1CCC2CN(CCC12)c3c(Cl)c(cc(C#N)c3)N	78
+Nc1c(nc(c(-c2ccncn2)c1)-c3occc3)Cl	473
+CN(C)c1ncc(cc1N)[N+](=O)[O-]	473
+CC(C)(C)OC(=O)Nc1c(NC(CC(=O)c2cccc(c2)-n3cncc3)=O)cc(C#Cc4ccc(cc4)F)cc1	1397
+CC(C)(C)OC(Nc1ccc(I)cc1NC(=O)CC(=O)c2cccc(C#N)c2)=O	3504
+N1c2cc(ccc2N=C(c3cc(ccc3)C#N)CC1=O)-c4occc4	690
+c1cc(ccc1F)C#Cc2cc(c(N)cc2)NC(CC(c3cccc(c3)-n4cncc4)=O)=O	78
+c1ccccc1C#Cc2ccc3N=C(CC(=O)Nc3c2)c4cccc(-n5c(nc(C)c5)C)c4	690
+C1(CCC(Nc2nc(Nc3cc(F)ccc3N)ncc2[N+]([O-])=O)c4c1cccc4)=O	78
+CC(C)(C)OC(=O)Nc1c(N)cc(c(N(C)CCOC)c1)Cl	0
+c1(c(Cl)nccc1N)F	78
+Clc1c(c(F)ccc1N)Cl	78
+Nc1cc(C)cc(c1F)Br	78
+CC(C)(C)OC(=O)Nc1cccc(OC)c1N	0
+Nc1cccc(c1[N+]([O-])=O)OC	78
+c1c(cccc1C(=O)CC(=O)Nc2c(N)ccc(c2)-c3c(ccc(F)c3)F)C#N	78
+c1ccccc1NC(C(c2ccc(cc2)C(=O)Nc3cc(-c4ccsc4)ccc3N)CNC(C)=O)=O	78
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(CNC(NC)=O)C(O)=O	4
+CC(C)(C)OC(=O)Nc1ccc(cc1NC(=O)CC(=O)c2cccc(C#N)c2)C#Cc3ccccc3F	1397
+CC(C)(C)OC(=O)Nc1c(NC(CC(c2cc(-n3c(nc(C)c3)C)ccc2)=O)=O)cc(C#Cc4ccccc4)cc1	496
+CC(C)(C)OC(=O)Nc1c(cc(C#Cc2ccccc2)cc1)NC(=O)CC(=O)c3cccc(C#N)c3	1397
+c1ccccc1C#Cc2ccc3c(c2)NC(CC(c4cccc(c4)C#N)=N3)=O	690
+CC(C)(C)OC(=O)Nc1c(I)nc(CO)cc1C	194
+O(C)c1ncc(N)c(I)c1	473
+CC(C)(C)OC(=O)Nc1cc(c(C#N)cc1N)N(CC)CC	0
+CC(C)(C)OC(=O)Nc1c(cc(Cl)c(N(C)C)c1)N	0
+CC(C)(C)OC(=O)Nc1c(cc(-c2cc(ccc2F)F)cc1)NC(CC(=O)c3cccc(C#N)c3)=O	1397
+CC(C)(C)OC(=O)Nc1c(cc(-c2ccc(cc2)OC)cc1)NC(=O)CC(=O)c3cccc(C#N)c3	1397
+C(Oc1cc(OC)ccc1N)CCBr	78
+c1c(CC)c(c(cc1-c2ccc(cc2)Cl)CC)N	78
+CC(C)(C)OC(Nc1cc(N)c(cc1F)Cl)=O	196
+c1cc(ccc1C(c2ccccc2N)=O)Cl	78
+CC(C)(C)OC(=O)Nc1c(nc(cc1)Cl)C=O	178
+c1(c(N)c(OC)ncc1)C	473
+CC(C)(C)OC(Nc1conc1-c2ccc(cc2)O)=O	686
+O=S(=O)(NC(C1(CC1)c2ccc(cc2)-c3ccc(cc3)-c4onc(C)c4N)=O)C	2809
+CC(C)(C)OC(Nc1ccsc1C(=O)Nc2cccc(c2)OC)=O	2810
+c1(c(N)c2c(cc1)CCCO2)F	78
+CC(C)(C)OC(Nc1cccc2CCCN(C)c12)=O	891
+N#CCOc1c2ccccc2c(N)cc1	78
+CC(C)(C)OC(Nc1nccc(c1)C#Cc2cc(N)ccc2)=O	3234
+Nc1c(c(cc(C#N)c1)C(C)CCO)Cl	78
+CC(C)(C)OC(=O)Nc1cc(C)c(CNC(=O)c2cn(Cc3cc4c(cc3)nc(cc4)C)nn2)c(C)n1	7347
+Cc1c(c(C)cc(n1)N)CNC(c2nnn(Cc3ccc4c(ccc(n4)C)c3)c2)=O	451
+c1(c(c(c(c(C)c1)O)C)C)NC	352
+CC(C)(C)OC(=O)Nc1cc(C)c(CNC(Cc2c(F)c(ccc2Cl)NCC(F)(F)c3ccccc3)=O)c(C)n1	9
+CC(C)(C)OC(Nc1cc(C)c(c(C)c1)Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)=O	452
+CC(C)(C)OC(Nc1cc(-c2c(N)cncc2)cc(C)c1)=O	13
+CC(C)(C)OC(=O)Nc1nccc(CCC(=S)N)c1	199
+CC(C)(C)OC(=O)Nc1cc(ccn1)CCC(O)=O	4
+CC(C)(C)OC(=O)Nc1ccc(c(CC#N)c1)Cl	1686
+c1cc(ccc1-n2c(C(C)(C)c3ccc(c(OC)c3)Cl)cnc2SCc4c(cc(N)cc4F)Cl)F	78
+CC(C)(C)OC(=O)Nc1c([N+]([O-])=O)cc2c(noc2c1)N	2134
+CC(C)(C)OC(=O)Nc1cnc(c(F)c1I)Cl	916
+Fc1c(c(c(cc1F)N)F)C(c2cc3c(ncc(n3)Cl)cc2)=O	78
+CC(C)(C)OC(=O)Nc1cc(F)c(cc1C(NCC(=O)NCC2CCN(CC2)Cc3ccc(c([N+](=O)[O-])c3)O)=O)F	48
+C1CN(CCC1CNC(CNC(=O)c2c(N)cc(c(c2)F)F)=O)Cc3cc(c(cc3)O)N	78
+CC(C)(C)OC(=O)Nc1cc(F)c(cc1C(NCC(=O)NCC2CCN(CC2)Cc3cc(c(cc3)O)N)=O)F	0
+CC(C)(C)OC(=O)Nc1cc(N(C)C)c(C)cc1N	0
+CC(C)(C)OC(=O)Nc1cc(N(C2CC2)c3ncc4nc(sc4n3)N)ccc1	2811
+CC(C)(C)OC(=O)Nc1cc(N(C2CC2)c3ncc4nc(sc4n3)NC(C)=O)ccc1	290
+C1CC1N(c2cc(ccc2)N)c3nc4sc(NC(C)=O)nc4cn3	78
+CC(C)(C)OC(Nc1cc(N2C(C=C(OC)C2=O)=O)cc(N3C(C=C(C3=O)C)=O)c1)=O	7348
+[N-]=[N+]=Nc1cc(Cl)cc(N)c1	78
+CC(C)Nc1cc2N=C(CC(Nc2cc1Cl)=O)c3cccc(-c4onc(C)c4)c3	690
+CC(C)(C)OC(=O)Nc1cc(Nc2c(cnc(n2)Nc3ccc(OCCOC)c(OCc4ccccc4)c3)F)ccc1	55
+c1(N)cccc(Nc2nc(Nc3cc(O)c(cc3)OCCOC)ncc2F)c1	78
+CC(C)(C)OC(Nc1ccc(C)c(c1)OCCN(C)C)=O	72
+C1CC1C(=O)Nc2nc3n(cc(Oc4cc(c(Cl)cc4)N)cc3)n2	78
+c1ncncc1Oc2cc(cc(c2)Cl)N	78
+CC(C)(C)OC(Nc1cc(N)c(cc1)C)=O	0
+CC(C)(C)OC(N(c1ccc(C)c(c1)[N+](=O)[O-])C)=O	2812
+CC(C)(C)OC(=O)Nc1c(N)cc(-n2cccc2)c(OCCOC)c1	0
+CN(C)c1c(cc2NC(=O)CC(c3cc(ccc3)-c4onc(C)c4)=Nc2c1)C	690
+CC(C)(C)OC(=O)Nc1cc(C)c(c(C)n1)CN	388
+C1CN(CCN1C)c2ccc(cc2Cl)N	78
+CC(C)(C)OC(=O)Cn1c(CCC)nc2cc(NC(=O)OC(C)(C)C)ccc12	4132
+CC(C)(C)OC(=O)Nc1c(Cl)c(cc(c1)C#N)N2CC3CCN(C(=O)OC(C)(C)C)C3CC2	79
+CC(C)(C)[Si](C)(C)OC1CN(CCC1N2CCOCC2)c3cc(cc(NC(OC(C)(C)C)=O)c3Cl)C#N	79
+CC(C)(C)[Si](C)(C)OCC1CN(CCN1C2COC2)c3c(c(cc(C#N)c3)NC(OC(C)(C)C)=O)Cl	79
+CC(C)(C)OC(=O)Nc1cc(cc(I)c1)N=[N+]=[N-]	615
+[N-]=[N+]=Nc1cc(N)cc(I)c1	78
+CC(C)(C)OC(=O)Nc1cc(N=[N+]=[N-])cc(Cl)c1	615
+CC(C)(C)OC(=O)Nc1cc(N)cc(c1)N2C(C(C)=CC2=O)=O	0
+CC(C)(C)OC(Nc1cc(C=O)cc(c1)C)=O	39
+C1CC2(CCN1c3c(c(cc(C#N)c3)N)Cl)C(=O)N(CC2)C	78
+C1CCN1C(=O)c2cccc(N)c2	78
+CC(C)(C)OC(=O)Nc1cccc(Nc2c(CO)cnc(SC)n2)c1	897
+CC(C)(C)OC(=O)Nc1cccc(Nc2c(C(=O)C)cnc(SC)n2)c1	4133
+CC(C)(C)OC(=O)Nc1cc(CCC(=O)N)ccn1	83
+CC(C)(C)OC(=O)Nc1cc(ccn1)CCc2cc(ccc2)Nc3nc(ncc3F)Cl	73
+Nc1cc(cnc1Cl)Nc2ncc(OC)cc2-c3nc(N)nc(C)n3	473
+OCc1cc(ncn1)N	451
+CC(C)(C)OC(=O)Nc1cc(no1)-c2cc(ccc2)-c3ccc(cc3)C(N4CCNCC4)=O	62
+Nc1ccc2CC3(c4ccccc4NC3=O)Cc2c1	78
+c1cc(ccc1C2=C(C(C)(C)Oc3c2ccc(N)c3)F)F	78
+CC(C)(C)OC(N(c1c(OC)cc2C34CCCCC3C(N(CC4)C(OCc5ccccc5)=O)Cc2c1)C)=O	2812
+O=S(=O)(N1c2c(CCC1)ncc(N)c2)c3cc(ccc3)C	473
+CC(C)(C)OC(=O)Nc1ccc2c(c1[N+](=O)[O-])ccc(c2)Br	77
+C1COCCN1c2nc(Cl)nc3cc(N)sc23	2813
+c1(cc(ccc1)OC)-c2nc3n(ccc(N)c3)n2	78
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1N)=O	0
+c1ncc(-c2cc(Cl)c(N)cc2)nc1C	78
+CN(C)C(Nc1c(N)ccc(-c2cccs2)c1)=O	78
+CC(C)(C)OC(=O)Nc1c(cc(C#Cc2ccccc2)cc1)N	0
+CC(C)(C)OC(Nc1ccc(C(c2ccc(cc2)Cl)(O)C)cc1C)=O	7349
+C1CN(Cc2c1c(n[nH]2)C(=O)N)c3ccc(N)cn3	473
+CC(C)(C)OC(Nc1c(cc(cc1)Oc2c(c(ncc2)NC)[N+]([O-])=O)F)=O	242
+CC(C)(C)OC(=O)Nc1ccc(OCc2ccccc2C(OC)=O)cc1NCc3ccc(cc3Cl)-c4ccccc4	608
+CC(C)(C)OC(=O)Nc1ccc(c(c1)Nc2cc(C)nn2-c3cc(NC)ncn3)C	781
+CC(C)(C)OC(Nc1cc(Nc2n(-c3ncnc(c3)NC)ncn2)c(cc1)C)=O	490
+CC(C)(C)OC(=O)Nc1ccc(c(CC(=O)O)c1)Cl	459
+CC(C)(C)OC(=O)Nc1ccc(c(c1)CC(OCC)=O)Cl	939
+CC(C)(C)OC(=O)Nc1cc(COS(=O)(=O)C)c(Cl)cc1	7
+CC(C)(C)OC(=O)Nc1ccc(c(Nc2nc(ncc2Cl)Nc3cc(C)ns3)c1)F	7350
+Nc1cc(c(F)cc1)Nc2nc(Nc3cc(C)ns3)ncc2Cl	78
+c1(C)ccc(N)cc1Nc2n(-c3cc(NC)ncn3)nc(C)c2	78
+CC(C)(C)OC(=O)Nc1c2ccccc2c(OCC#N)cc1	489
+c1ncncc1-c2c([nH]c3ncc(Cl)cc23)-c4ccc(cc4)N	78
+CC(C)(C)OC(Nc1ccc(cc1)-c2c(F)c3c(c([nH]n3)N)cc2)=O	575
+c1cc(ccc1-c2nn3nc(nc3cc2)N)N	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2c3c([nH]n2)ncnc3Nc4cc(Cl)ccc4	7351
+c1cc(ccc1)S(=O)(=O)Cc2nc(-c3ccc(cc3)N)nc(N4CCOCC4C)c2	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2scc(n2)C(Nc3ccc(cc3)-c4scc(C(OCC)=O)n4)=O	2015
+c1cc(ccc1-n2c(CCC=C)c(nn2)C(=O)NC3CC3)NC(NCC)=O	7352
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2ccc(c(F)c2F)C#N	368
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2ccc3n(nc(n3)N)n2	7353
+c1cc(ccc1N)C(N2CC3(CC2CC(C)(C)C3)C)=O	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)N2CC3(CC2CC(C)(C)C3)C	30
+c1ccccc1CN2C(CC(c3ccc(cc3)N)(C)C2=O)=O	78
+c1cc(ccc1CCc2c(Cc3ccc(cc3)S(=O)(=O)C)sc(NC(=O)OCC)n2)N	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)CCc2nc(sc2Cc3ccc(cc3)S(=O)(=O)C)N	1176
+CC(C)(C)OC(=O)Nc1ccc(cc1)CCc2c(Cc3ccc(cc3)S(=O)(=O)C)sc(NC(=O)OCC)n2	810
+CC(C)(C)OC(N(C)c1ccc(cc1)I)=O	2812
+CC(C)(C)OC(=O)Nc1ccc(cc1)Nc2ncnc(c2)Cl	73
+CC(C)(C)OC(=O)Nc1ccc(cc1)N2CC(CCCC)(CCCC)CS(=O)(=O)c3c2ccc(c3)OCC(=O)O	3
+CC(C)(C)OC(=O)Nc1cc(c(cc1)N2CCN(CC2)C)Cl	196
+CC(C)(C)OC(=O)Nc1ccc(cc1)N2CC(CCCC)(CCCC)CS(=O)(=O)c3cc(ccc23)OCC(OCC)=O	52
+c1cc(ccc1N)Nc2ncnc(-c3ccc(cc3)F)c2	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)Nc2ncnc(c2)-c3ccc(cc3)F	198
+CC(C)(C)OC(Nc1ccc(cc1)Oc2cc(-n3cncn3)ncn2)=O	185
+CC(C)(C)OC(=O)Nc1ccc(cc1)Sc2c(Nc3c4c(cc(cc4)C(C)C)ncn3)cc(C(=O)OC)cc2	73
+CC(C)(C)OC(=O)Nc1ccc(cc1)Sc2ccc(C(=O)O)cc2Nc3c4c(cc(cc4)C(C)C)ncn3	1
+CC(C)(C)OC(=O)Nc1ccc(cc1)Sc2c(N)cc(cc2)C(OC)=O	0
+CC(C)(C)OC(Nc1ccc(cc1Br)C(c2ccc(cc2)Cl)=O)=O	705
+c1c(c(C#Cc2cc3c(cc2)N=C(c4cccc(C#N)c4)CC(N3)=O)ccc1)F	690
+c1cc(ccn1)-c2nn3c(ccnc3c2-c4cc(OC)c(cc4)N)C5CC6CCC(C5)N6CC	78
+CC(C)(C)OC(Nc1c(N)cc(-c2c(Cl)cccc2)cc1)=O	0
+CC(C)(C)OC(=O)Nc1c(N)cc(C#Cc2ccc(cc2)F)cc1	0
+CC(C)(C)OC(=O)Nc1c(cc(C#Cc2c(cccc2)F)cc1)N	0
+CC(C)(C)OC(=O)Nc1ccc(OCc2c(cccc2)C(OC)=O)cc1N	0
+CC(C)(C)OC(=O)Nc1ccc(cn1)-c2ccc(cc2)C(=O)O	1
+CC(C)(C)OC(=O)Nc1c(cc(cn1)-c2ccccc2)C=O	1031
+C1CN(CCO1)Cc2cnc(N)cc2	451
+CC(C)c1ccc(N)cn1	473
+CC(C)(C)OC(=O)Nc1ccc(nc1)C(F)F	7354
+FC(F)c1ccc(N)cn1	473
+CC(C)(C)OC(Nc1ccc(CCO)nc1)=O	44
+CC(C)(C)OC(=O)Nc1c(nc(cc1)Cl)CO	59
+CC(C)(C)OC(N(C)c1ccc2c(n1)c(OC)ccc2Br)=O	4134
+c12ccc(N)cc1[nH]c3c(C(=O)N)cc(cc23)Br	78
+c1cc(ccc1)-c2c3cccnc3ccc2N	78
+CC(C)(C)OC(N(CC=CCl)c1c(Br)c2c(cc(cc2)C#N)cc1)=O	4131
+C1COCCN1c2nn3cc(ccc3n2)N	473
+CC(C)(C)OC(=O)Nc1cc(Nc2nc(Cl)ncc2F)ccc1	73
+CC(C)(C)OC(=O)Nc1cccc(c1)Nc2nc(SC)ncc2C=O	1195
+CC(C)(C(OCC)=O)Oc1cccc(N)c1	78
+c1cc(ccc1OC)CNC(=O)C2=C(N(C(C=C2Oc3cccc(c3C)N)=O)C)Nc4c(cc(I)cc4)F	78
+CC(C)(C)OC(=O)Nc1cc(ccc1)Nc2nc(ncc2C(O)C)SC	4135
+CC(C)(C)OC(Nc1nc(ccc1)C#Cc2cc(N)ccc2)=O	3621
+CC(C)(C)OC(Nc1c2cc(OCC)ccc2ccc1)=O	116
+Nc1c2nc(ccc2c3ccccc3n1)C	7355
+CC(C)(C)OC(=O)Nc1c(cccc1)C(=O)c2ccc(cc2)Cl	705
+c1ccccc1COc2ccc(cc2)N3C(=O)Nc4cccnc34	7356
+Nc1ccnc(Cl)c1C=O	78
+CC(C)(C)OC(=O)N(c1cn2c(cc1)cnc2C(c3cc(c([N+](=O)[O-])cc3)C(OC)=O)=O)C	7357
+CC(C)(C)OC(=O)Nc1ccc(N2Cc3c(CC2)c(C(=O)N)[nH]n3)nc1	314
+c1(c(c(Cl)ncc1N)F)I	473
+CC(C)(C)OC(Nc1c(I)cc(nc1)Cl)=O	916
+CC(C)(C)OC(=O)Nc1ccc2nc(cn2c1)-c3ccc(cc3)Br	440
+CC(C)(C)OC(N(C)c1c(nc(SC)nc1)Oc2ccccc2C)=O	4136
+CC(C)(C)OC(=O)Nc1snc(-c2cc3c(c[nH]c3cc2)I)n1	7358
+CC(C)(C)OC(Nc1cnc(CNC(=O)c2cn(Cc3cc4c(cc3)nc(cc4)C)nn2)c(C)n1)=O	312
+CC(C)(C)OC(Nc1nc(CCNc2ccc(cc2)[N+](=O)[O-])ccc1)=O	60
+CC(C)(C)OC(Nc1cccc(n1)CCN=[N+]=[N-])=O	254
+C1CCN(C1)Cc2nc(N)ccc2	451
+CC(C)(C)OC(=O)Nc1nc(COS(=O)(=O)C)ccc1	7
+CC(C)(C)OC(=O)Nc1nc2c(cc(cc2s1)C=O)-c3cc(ccc3)[N+](=O)[O-]	1295
+CC(C)(C)OC(=O)Nc1nc2c(cc(CO)cc2s1)-c3cccc([N+](=O)[O-])c3	41
+CC(C)(C)OC(Nc1ncc(cc1)C=2NC(ON=2)=O)=O	7359
+CC(C)(C)OC(=O)Nc1ncc(cc1)CO	351
+c1cc(ccc1Cl)S(=O)(=O)C(c2c(C)cnc(c2)N)c3cc(F)ccc3F	451
+CC(C)(C)OC(Nc1ncc(CCl)s1)=O	2814
+n1c(ccc(CN2CCC(O)C2)c1)N	451
+CC(C)(C)OC(Nc1ncc(cc1)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(Nc1ncc(cn1)-c2nc3c(c(N4CCOCC4)n2)cc(F)c(-c5cccc(S(=O)(=O)C)c5)c3)=O	2680
+CC(C)(C)OC(=O)Nc1nccc(CCO)c1	44
+c1cc(ccc1OC)C(Cc2ccnc(N)c2)=O	451
+CC(C)(C)OC(Nc1cc(CCOc2c3ccccc3c(cc2)[N+](=O)[O-])ccn1)=O	57
+CC(C)(C)[Si](C)(C)OCc1cc(NC(=O)OC(C)(C)C)ncc1	19
+CC(C)(C)OC(Nc1nccc(Cl)c1C=O)=O	1031
+c1cc(ccc1F)NC(C2(CC2)C(=O)Nc3c(F)cc(Oc4cc(ncc4)N)c(F)c3)=O	451
+c1ccccc1COC(=O)Nc2ccc(Oc3ccnc(N)c3)c(F)c2	451
+c1(c2c(ccn1)COC2)N	451
+CC(C)(C)OC(=O)Nc1ncnc2c1c(c(n2-c3cccc(N)c3)Cl)-c4ccc(cc4)Cl	0
+CC(C)(C)OC(N(c1ncsc1)S(=O)(=O)c2c(cc(c(F)c2)F)F)=O	7360
+CC(C)(C)OC(Nc1c(C(O)=O)c2ncc(cc2o1)CC)=O	6
+CC(C)(C)OC(=O)Nc1onc(c1)C(C)(C)CNC	110
+CC(C)(C)OC(=O)Nc1onc(C(C)(C)C=O)c1	24
+CC(C)(C)OC(Nc1onc(C(C)(C)CN(C)C(C)=O)c1)=O	58
+c1c(ccc(-c2cc(C(=O)OC)c(N)s2)c1F)F	2813
+c1(c(C(=O)c2ccccn2)sc(N)n1)-c3occc3	1398
+C1COCCN1Cc2sc(N)nc2-c3occc3	1398
+CC(C)(C)OC(=O)Nc1sc(nc1C(Nc2cnn(C)c2C3CCC(CC3)O)=O)-c4c(F)cccc4F	100
+Fc1cccc(F)c1-c2sc(N)c(C(Nc3c(C4CCC(CC4)N)n(C)nc3)=O)n2	2808
+CC(C)(C)OC(=O)Nc1sc(nc1C(Nc2cnn(C)c2C3CCC(CC3)N)=O)-c4c(F)cccc4F	18
+CC(C)(C)OC(=O)Nc1sc(nc1C(Nc2cnn(C)c2C3CCC(CC3)N=[N+]=[N-])=O)-c4c(F)cccc4F	2135
+CC(C)(C)OC(Nc1c(C(=O)O)nc(s1)-c2ccccc2)=O	6
+CC(C)(C)OC(=O)Nc1nc2c(s1)cc(Cn3ccnc3)cc2-c4cccc([N+](=O)[O-])c4	371
+CC(C)(C)OC(=O)Nc1sc2ccc(nc2c1C(O)=O)-c3ccccc3	6
+CC(C)(C)OC(=O)Nc1sc2c(nc(cc2)-c3ccccc3)c1C(=O)OCC	691
+c1cc(ccc1F)OCCc2csc(N)n2	1398
+CC(C)(C)OC(Nc1nc(CN(C)C(c2nccnc2C)=O)cs1)=O	777
+CC(C)(C)OC(=O)Nc1snc(n1)-c2cc3c(cn(S(=O)(=O)c4ccc(cc4)C)c3cc2)I	367
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(-c4nc(N)sn4)ccc23)-c5cccc(OC(C)C)n5)C	1398
+CC(C)(C)OC(=O)Nc1snc(-c2cc3c(cn(S(=O)(=O)c4ccc(cc4)C)c3cc2)-c5cccc(OC(C)C)n5)n1	7361
+CC(C)(C)OC(N(Cc1ccc2ccccc2c1)n3cccc3)=O	7362
+c1ccccc1C(c2ccccc2)N3CC(C3CC)NC(OC(C)(C)C)=O	3629
+CC(C)(C)OC(=O)N1CCC(CC1)CN(C2C(C2)c3ccc(cc3)Br)C(OC(C)(C)C)=O	23
+CC(C)(C)OC(=O)NCCN(C1CCC(CC1)(O)CC(OCc2ccccc2)=O)C(OC(C)(C)C)=O	23
+CC(C)(C)OC(N(C1CCN(CC1)C(OCc2ccccc2)=O)CCNC(OC(C)(C)C)=O)=O	23
+CC(C)(C)[Si](C)(C)OC1CCCC2C1NCCN2C(OC(C)(C)C)=O	23
+CC(C)(C)OC(=O)NCCCC(C)(C)CO	37
+CC(C)(C)OC(NCC(C)(C)CC(=O)O)=O	37
+CC(C)(C)OC(=O)NCC(C)(C)CN	37
+CC(C)(C)OC(NC(C)(C)Cc1c2c([nH]c1)c(ccc2)OCc3ccccc3)=O	37
+CC(C)(C)OC(NC(C)(C)Cc1cc(Br)ccc1)=O	37
+CC(C)(C)OC(NC(C)(C)C(O)=O)=O	403
+CC(C)(C)OC(=O)NCC(C)(C)N	37
+CC(C)(C)OC(NC(C)(C)CO)=O	37
+CC(C)(C)OC(=O)NC(CO)C(C)(C)c1ccccc1	37
+CC(C)(C)OC(NCCNC(C(C)C)=O)=O	37
+CC(C)(C)OC(NC(C(=O)OCC)CC(Cc1cc2c(cccc2OCCOC)cc1)C(C)C)=O	403
+CC(C)(C)OC(N(CCO)CC(C(C)C)O)=O	23
+CC(C)(C)OC(NC(CO)C(C)C)=O	37
+CC(C)(C)OC(=O)NNc1cc(ccc1Cl)CNC(C(C)C)=O	1609
+CC(C)(C)OC(=O)n1cc(c2c1c(C(=O)OCC)cc(Br)c2)C3CC(C(C)C)SCC3	389
+CC(C)(C)OC(CC(C(OC)=O)CC(C)C)=O	3541
+CC(C)(C)OC(NC(CO)CC(C)C)=O	37
+CC(C)(C)OC(=O)NC(CC(C)C)C(C=C(CCOC1CCCCO1)C(=O)OCC)O	37
+CC(C)(C)OC(NCCC(C)C)=O	37
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(=O)c2c(cc(cc2)-c3sc(c(C)n3)C(OCC)=O)C=1OCCCC	4137
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2c(C=1c3ccccc3F)cc(cc2)OCc4ccccc4)=O	2507
+CC(C)(C)OC(=O)N(C(C)C)CCc1cc(O)ccc1	23
+CC(C)(C)OC(=O)N(Cc1c([N+](=O)[O-])cccc1)C(C)C	23
+CC(C)(C)OC(=O)N(C(C)C)Cc1ccc(cc1)C(OC)=O	23
+CC(C)(C)OC(N(C)Cc1cc([N+](=O)[O-])cc(F)c1SC(C)C)=O	2136
+CC(C)(C)OC(=O)n1c(c(cc1C(=O)OC)Br)C(C)C	1552
+CC(C)(C)OC(Nc1ccc(OCc2n(ncc2C(C)C)-c3c(Cl)cccc3Cl)cc1C)=O	150
+CC(C)(C)OC(NCCc1c([N+](=O)[O-])cc(cc1)C(C)C)=O	37
+CC(C)(C)OC(=O)NC1C(C)(C)C(C(O)=O)C1	7363
+CC(C)(C)OC(NC1(CCC(C1(C)C)Nc2c3n(ncc2C(=O)N)cc(c3)C(OCC)=O)C)=O	37
+CC(C)(C)OC(=O)NC(CN1C(C)(C)CN(C(C1)=O)c2c(C)cccc2)C3CC(CC)C(=O)O3	4138
+CC(C)(C)OC(=O)N1CC(C)(C)c2cnc(Cl)cc12	603
+CC(C)(C)OC(=O)NC(C1CC(C(O1)=O)C)CN2C(C)(C)CN(C(=O)C2)c3cc(F)ccc3Cl	4138
+CC(C)(C)OC(NC(CN1CC(N(c2c(C)cccc2)CC1(C)C)=O)C3CC(C(O3)=O)C)=O	37
+CC(C)(C)OC(N1CC(C)(C)N(CC1C(C)C)Cc2ccccc2)=O	23
+CC(C)(C)OC(=O)N1c2c(C(C)(C)CC1=O)cc(F)cc2	7364
+CC(C)(C)OC(N1c2cc([N+](=O)[O-])ccc2C(C)(C)CC1)=O	603
+CC(C)(C)OC(=O)NC(CC)(CC)C(=O)O	403
+CC(C)(C)OC(NC(CC)CO)=O	37
+CC(C)(C)OC(=O)n1c(c(cc1)C(=O)N(CC)CC)C	1552
+CC(C)(C)OC(NCc1c(O)nc(cc1NCC)C)=O	2751
+CC(C)(C)OC(Nc1nc(C(OCC)=O)cs1)=O	2815
+CC(C)(C)OC(N(CC1C(C1)C(OCC)=O)C)=O	23
+CC(C)(C)OC(NC1CCOCC1C(OCC)=O)=O	37
+CC(C)(C)OC(=O)n1ncc(c1)C(=O)OCC	1687
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2n[nH]c(N=CN(C)C)c2C#N	150
+CC(C)(C)OC(N(CCCCN(C)C)CCC#N)=O	23
+CC(C)(C)OC(=O)Nc1ccc(c(c1)CN(C)C)Br	150
+CC(C)(C)OC(=O)n1ncc2cc(N(C)c3ccnc(n3)Cl)ccc12	868
+CC(C)(C)OC(=O)N(C)Cc1nc2c(cccc2Br)cc1	23
+CC(C)(C)OC(N1CC(CC1C(OC)=O)OC)=O	663
+CC(C)(C)OC(n1c2c(c(OC)ccc2)c(N)n1)=O	868
+CC(C)(C)OC(N1C(C(OC)=O)CN(CC1)C(c2cc(OC)c(c(OC)c2)OC)=O)=O	663
+CC(C)(C)OC(N1CC(C(OC)=O)c2cc(ccc2C1)OC)=O	23
+CC(C)(C)OC(=O)NC(c1cccc(OC)c1)C	37
+CC(C)(C)OC(NC(C[Si](C)(C)C)C(=O)O)=O	403
+CC(C)(C)OC(=O)N1C(C(C1=O)O[Si](C)(C)C)c2ccccc2	7365
+CC(C)(C)OC(=O)NC(c1c(c(C)ccc1)C)CC#C	37
+CC(C)(C)OC(=O)n1ccc2c1c(ccc2)C	389
+CC(C)(C)OC(=O)NCC(C)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)OCC)-c3cc(C)cc(C)c3	37
+CC(C)(C)OC(Nc1ccc(c(-c2ccc(cc2C)C(=O)CC)c1)C)=O	150
+CC(C)(C)OC(=O)NCC(c1c(C)cccc1C)CO	37
+CC(C)(C)OC(Nc1c(-c2c(C)cccc2)ccnc1)=O	970
+CC(C)(C)OC(Nc1c(-c2c(cccc2)C)ncnc1)=O	7366
+CC(C)(C)OC(=O)n1nc(c2ccc(cc12)[N+]([O-])=O)C	868
+CC(C)(C)OC(N1C(CN(CC1)c2nc(c(cc2)[N+]([O-])=O)C)C)=O	23
+CC(C)(C)OC(=O)Nc1cc(c(c(C)n1)C#N)C	718
+CC(C)(C)OC(=O)NCc1ccc(N)nc1C	37
+CC(C)(C)OC(NC(CC(=O)O)c1cccc(Cl)c1Cl)=O	37
+CC(C)(C)OC(N1CCc2c(cc3c(NC(=O)CC3)c2Cl)CC1)=O	23
+CC(C)(C)OC(=O)NCC1Oc2c(Cl)cccc2C1	37
+CC(C)(C)OC(N1Cc2c(C1)c(Cl)sc2Cl)=O	23
+CC(C)(C)OC(=O)N(CC(O)COc1cc(Br)cc(Cl)c1)C	23
+CC(C)(C)OC(Nc1c(ccc(Cl)c1)C=CC(=O)OC)=O	150
+CC(C)(C)OC(Nc1c(cc(Cl)c(Cl)c1)[N+](=O)[O-])=O	150
+CC(C)(C)OC(=O)c1cc(Cl)nc(c1)Cl	1075
+CC(C)(C)OC(=O)NCCc1cncc(c1)Cl	37
+CC(C)(C)OC(=O)n1c2c(C)cc(cc2cc1C(OCC)=O)Cl	389
+CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O	37
+CC(C)(C)OC(=O)n1c(nc2ccccc12)-c3c(ccc(Br)c3)Cl	1399
+CC(C)(C)OC(=O)n1c(C(=O)OC)c(c2ccc(Cl)cc12)NCC(c3ccc(c(c3)F)F)=O	389
+CC(C)(C)OC(=O)N1c2c(C(=Cc3c(OC)cc(F)c(Cl)c3)C1=O)ccc(Cl)c2	1881
+CC(C)(C)OC(=O)N(CCc1ccc2c(NC(=O)C(C)O2)c1)Cc3cc(ccc3)Cl	23
+CC(C)(C)OC(N1CCc2c(CC1)c(O)c(cc2)Cl)=O	4139
+FC(F)(F)C(=O)NCC1CCC(C)(C)CN1C(OC(C)(C)C)=O	1365
+CC(C)(C)OC(=O)N1CC2c3c(cc(C(C)=O)cc3)C(C2)C1	4139
+FC(F)(F)C(NCCN(C1CN(CC1)c2c3nc(ccc3ncc2)OC)C(OC(C)(C)C)=O)=O	23
+FC(F)(F)c1c(OCC)cc(NC(=O)OC(C)(C)C)c([N+]([O-])=O)c1	150
+FC(F)(F)c1cc2N(CCCC(=O)c2cc1C)C(OC(C)(C)C)=O	603
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(cc1)C(F)(F)F)=O	150
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(C)c3cc(Cl)c(cc3)CNC(OC(C)(C)C)=O	1400
+FC(F)(F)c1c(F)cc(C(CN(C(OC(C)(C)C)=O)C)O)cc1	23
+CC(C)(C)OC(=O)NC(C)c1ccc(C(F)(F)F)nc1	37
+CC(C)(C)OC(=O)NC=1COCC(C(F)F)(N=1)c2cc([N+](=O)[O-])cc(F)c2F	2137
+CC(C)(C)OC(NC(COC(F)F)C(O)=O)=O	403
+CC(C)(C)OC(=O)Nc1cc(c2c([nH]c(n2)C(F)F)c1)OC	7367
+CC(C)(C)OC(N1CC(F)(F)C(O)CC1)=O	23
+CC(C)(C)OC(NC(c1cc(c(cc1)F)F)CC(O)=O)=O	37
+CC(C)(C)OC(=O)N(CCO)Cc1c(cccc1)F	23
+CC(C)(C)OC(N1C2C(COC2)n3c(c(c(n3)I)C(=O)OCC)C1)=O	23
+CC(C)(C)OC(=O)n1cc(I)c2c1c(ccn2)Cl	4140
+CC(C)(C)OC(=O)N1CC(n2c3c(c(N)ncn3)c(I)n2)CC1	23
+CC(C)(C)OC(=O)N1CCOCC(n2c3ncnc(N)c3c(I)n2)C1	23
+CC(C)(C)OC(n1nc(C)c(C#N)c1)=O	1687
+CC(C)(C)OC(=O)N(C)Cc1cc([nH]c1)-c2ccccc2F	23
+CC(C)(C)OC(N(CCNCC)CC)=O	23
+CC(C)(C)OC(N1Cc2cccc3C(CCN(C(C1)C)c23)CO)=O	23
+CC(C)(C)OC(=O)N1CC(NCCC1)=O	1568
+CC(C)(C)OC(N1C(CN(C(C)C1)CCCCl)C)=O	23
+CC(C)(C)OC(=O)NC1C(NCCCC1)=O	1245
+CC(C)(C)OC(N1Cc2c3c([nH]c2CC1)c(C)ccc3F)=O	23
+CC(C)(C)OC(N1Cc2c(nc3c(cc(C#N)cc3)c2Cl)CC1)=O	23
+CC(C)(C)OC(N1CCc2ccc(O)cc2C1)=O	23
+CC(C)(C)OC(N1Cc2c(nc(Cl)cc2)CC1)=O	23
+CC(C)(C)OC(N1Cc2cc(-c3cc(F)ccc3)nn2CC1)=O	23
+CC(C)(C)OC(N1NC(=O)c2cccc(F)c12)=O	7368
+CC(C)(C)OC(NC)=O	37
+CC(C)(C)OC(N(Cc1cc(cc(c1O)F)[N+](=O)[O-])C)=O	2136
+CC(C)(C)OC(=O)N(CCOc1c(cccc1)OCC)C(C)Cc2cc3c(c(C(=O)N)c2)N(CCCO)CC3	23
+CC(C)(C)OC(NC(CCC(=O)OC)C(=O)O)=O	403
+CC(C)(C)OC(=O)NC(C(O)=O)Cc1cnc(cc1)Br	403
+CC(C)(C)OC(NC1Cc2c(ccc(O)c2)CC1)=O	37
+CC(C)(C)OC(NCCSSCCN)=O	37
+CC(C)(C)OC(Nc1cc(ccc1C)C#N)=O	150
+CC(C)(C)OC(Nc1c(C)ccc(c1)C(O)C)=O	150
+CC(C)(C)OC(Nc1c(ccc(c1)O)C)=O	150
+CC(C)(C)OC(=O)Nc1ccc(O)cc1F	150
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(c(c1)Cl)C)=O	150
+CC(C)(C)OC(=O)Nc1cc(F)c(C#N)cc1[N+]([O-])=O	150
+CC(C)(C)OC(=O)Nc1cccc2ccc(O)cc12	150
+CC(C)(C)OC(=O)Nc1cc(cc(c1)C)CO	150
+CC(C)(C)OC(=O)Nc1cc([N+]([O-])=O)c(C)cc1	150
+CC(C)(C)OC(=O)Nc1cc(O)c(cc1)C	150
+CC(C)(C)OC(NCCc1c(cc(N)cc1)F)=O	37
+CC(C)(C)OC(=O)N=C1NC(c2c(F)ccc(N)c2)(C)Cn3c(C#N)c(Cl)nc13	2816
+CC(C)(C)OC(Nc1c(C(O)=O)c(ccc1)C)=O	150
+CC(C)(C)OC(=O)Nc1c(C)c(ccc1)F	150
+CC(C)(C)OC(=O)Nc1c(c(ccc1)OC)[N+](=O)[O-]	150
+CC(C)(C)OC(=O)Nc1ccnc(O)n1	718
+CC(C)(C)OC(Nc1cnc(C#N)c(n1)C)=O	7369
+CC(C)(C)OC(Nc1cc(Cl)nc2ccnn12)=O	718
+CC(C)(C)OC(n1nc(N)cc1)=O	1687
+CC(C)(C)OC(=O)Nc1[nH]c2c(c(C)c([N+]([O-])=O)c(C)c2)n1	4141
+CC(C)(C)OC(=O)Nc1cc(Br)ccn1	718
+CC(C)(C)OC(=O)Nc1nccc(CO)c1	718
+CC(C)(C)OC(=O)Nc1nnc(-c2ccc3cnc(F)cc3c2)s1	2815
+CC(C)(C)OC(=O)Nc1nc2c(cc(cc2s1)C#N)-c3cc(ccc3)[N+](=O)[O-]	2815
+CC(C)(C)OC(N(CCC(=O)OCC)C(CC(OCC)=O)C)=O	23
+CC(C)(C)OC(=O)NC(Cc1cccc(c1)O)C(OCC)=O	403
+CC(C)(C)OC(NC(C(O)=O)CC(C)CCOCC=C)=O	403
+CC(C)(C)OC(Nc1c(nccc1)OC)=O	970
+CC(C)(C)OC(=O)NCC(C)C(O)=O	37
+CC(C)(C)OC(NOCC(=O)OC)=O	4142
+CC(C)(C)OC(=O)NC(c1cccc(c1)F)CC(O)=O	37
+CC(C)(C)OC(NC(C(=O)OC)(CF)Cc1cccc(c1)O)=O	403
+CC(C)(C)OC(=O)c1cc(Cl)c(F)cc1Cl	1075
+CC(C)(C)OC(NC(Cc1cc(F)cc(F)c1)c2c(Br)cc(cn2)N3C(=O)c4ccccc4C3=O)=O	37
+CC(C)(C)OC(=O)Oc1c(c(C=O)c(cc1)F)F	4143
+CC(C)(C)OC(n1c2cnc(-n3ncnc3)cc2c(C=O)c1)=O	7370
+CC(C)(C)OC(n1c2cccc(C=O)c2cc1)=O	389
+CC(C)(C)OC(=O)N(c1ccc(cn1)C=O)Cc2ccncc2Cl	1157
+CC(C)(C)OC(Oc1ccccc1C=O)=O	4143
+CC(C)(C)OC(=O)NCCCCS(=O)(=O)NC	37
+CC(C)(C)OC(=O)n1c2c(c(c1)CC(NS(=O)(=O)c3c(C)cc(cc3C)C)C)cccc2	389
+CC(C)(C)OC(NCC(O)CNS(=O)(=O)c1c(Cl)cc(cc1)Cl)=O	37
+CC(C)(C)OC(=O)N(c1ccc(cc1)S(=O)(=O)C)C2CCNC2	603
+CC(C)(C)OC(=O)N=C(c1cc(c(s1)SC)S(=O)(=O)c2cccc(Br)c2)N	7371
+CC(C)(C)OC(=O)N(Cc1cn(S(=O)(=O)c2cnccc2)c3c1ccc(C(OC)=O)c3)C	23
+CC(C)(C)OC(=O)N(Cc1cn(c2cc(Br)ncc12)S(=O)(=O)c3cc(F)ccc3)C	23
+CC(C)(C)OC(N1Cc2c3ccn(c3ccc2OCC1)S(=O)(=O)c4ccccc4)=O	23
+CC(C)(C)OC(NCc1n(S(=O)(=O)CC)ccc1)=O	3835
+CC(C)(C)OC(=O)N1CC2c3c(C(C1)C2)cc(c([N+](=O)[O-])c3)[N+](=O)[O-]	23
+CC(C)(C)OC(NCC(O)C)=O	37
+CC(C)(C)OC(NCCCC(O)C(=O)O)=O	37
+CC(C)(C)OC(NCC(O)COCC)=O	37
+CC(C)(C)OC(=O)N(C)C=1SC2C(C(C(C(CO)O2)O)O)N=1	7372
+CC(C)(C)OC(=O)NC(c1cc(Cl)c(cc1)Cl)CCO	37
+CC(C)(C)OC(=O)N(Cc1ccccc1OC)CCc2c(cc([N+](=O)[O-])c(c2)OC)OC	23
+CC(C)(C)OC(=O)NCc1c(Br)c(C)cc(c1)[N+]([O-])=O	37
+CC(C)(C)OC(NC1C(O)CCC(C(OCC)=O)C1)=O	1401
+CC(C)(C)OC(=O)NC1CC(OC)C(CC1)C(=O)OC	1401
+CC(C)(C)OC(NC1CC=2C(CC1)(C3CCC4(C(C#C)CCC4C3CC=2)C)C)=O	1401
+CC(C)(C)OC(n1c2c(cnc(c2)Br)c(Cl)c1-c3ocnc3)=O	389
+CC(C)(C)OC(N1Cc2cccc3[nH]cc(c23)CC1)=O	23
+CC(C)(C)OC(n1nc(C)cc1)=O	1687
+CC(C)(C)OC(=O)c1cnc(Cl)c(c1)Cl	1075
+CC(C)(C)OC(=O)NC(c1cccc(c1)[N+](=O)[O-])C	37
+CC(C)(C)OC(N(CCO)CC(O)c1cc(C)c([N+](=O)[O-])cc1)=O	23
+CC(C)(C)OC(NCc1c(nc(C)cc1C)OC)=O	37
+CC(C)(C)OC(Nc1cc(C)c(c(c1)C)-c2csc(N)n2)=O	150
+CC(C)(C)OC(N(c1ccc(cc1)C#N)c2nc(c([N+]([O-])=O)c(C=CN(C)C)n2)Oc3c(C)cc(cc3C)Br)=O	7373
+CC(C)(C)OC(=O)N=C1NC2(c3cc(ccc3F)[N+](=O)[O-])CC2CCS1	2720
+CC(C)(C)OC(=O)n1ccc2c1cc(cc2)C=O	389
+CC(C)(C)OC(=O)NCc1sc(C)nn1	37
+CC(C)(C)OC(NCc1c(Cl)c(c(Cl)c(F)c1)N)=O	37
+CC(C)(C)OC(NC(Cc1cc(Cl)c(cc1)O)C(=O)OC)=O	403
+CC(C)(C)OC(Nc1cc(Cl)c(c(Cl)c1)O)=O	150
+CC(C)(C)OC(N1c2cc(Cl)ccc2C(=Cc3cc(ccc3OCC(OC)=O)Cl)C1=O)=O	1881
+CC(C)(C)OC(NC=1SCC2COc3c(cc(c(F)c3)Br)C2(C)N=1)=O	2137
+CC(C)(C)OC(=O)N(CCO)CC(c1cc(F)c(Br)cc1)O	23
+CC(C)(C)OC(Nc1sc(c(c1C#N)C)C(=O)OC)=O	2408
+CC(C)(C)OC(=O)Nc1cc(C)c(c(C)c1C)O	150
+CC(C)(C)OC(Nc1c(C(=O)OC)ccs1)=O	2408
+CC(C)(C)OC(Nc1cccnc1)=O	970
+CC(C)(C)OC(Nc1cc(Cl)ncc1)=O	150
+CC(C)(C)OC(=O)Nc1cnc(cc1)Cl	970
+CC(C)(C)OC(=O)Nc1cnc(cc1)N	970
+CC(C)(C)OC(Nc1cc(OC)cc(c1)OC)=O	150
+CC(C)(C)OC(N(c1cc([N+]([O-])=O)ccc1O)C)=O	603
+CC(C)(C)OC(=O)NC(c1cc([N+](=O)[O-])ccc1)C(OC)=O	403
+CC(C)(C)OC(Nc1ccc(c([N+]([O-])=O)c1)F)=O	150
+CC(C)(C)OC(=O)Nc1c(cc(C(OCC)=O)nc1I)C	970
+CC(C)(C)OC(Nc1c(cc(cc1)OCC)C)=O	150
+CC(C)(C)OC(=O)Nc1ccc(I)cc1C	150
+CC(C)(C)OC(N(C)c1cc(C)c(O)c(C)c1C)=O	603
+CC(C)(C)OC(=O)NC(=N)c1c(cc(O)cn1)O	2137
+CC(C)(C)OC(N1Cc2c(cccc2C1)C#N)=O	23
+CC(C)(C)OC(Nc1cc(c(c2ccccc12)CCOC(=O)C)[N+](=O)[O-])=O	150
+CC(C)(C)OC(n1c2cccc(c2c(C=O)c1)O)=O	389
+CC(C)(C)OC(=O)n1cc(c2nccc(C)c12)I	4140
+CC(C)(C)OC(=O)N(C1CCC(=CC1)c2c3c([nH]c2)ccc([N+](=O)[O-])c3)C	23
+CC(C)(C)OC(=O)N(C1CC=C(CC1)c2c3c([nH]c2)ccc([N+](=O)[O-])c3)CC	23
+CC(C)(C)OC(n1ccc2c(c(C)ccc12)Cl)=O	389
+CC(C)(C)OC(NC(CCO)(C)c1c(F)cc(F)c(c1)Br)=O	37
+CC(C)(C)OC(=O)N(c1ccc(c(F)n1)Br)Cc2cnc(OC)c(F)c2	1157
+CC(C)(C)OC(=O)NC(C(C)O)c1cc(F)c(F)cc1	37
+CC(C)(C)OC(=O)NCc1cc(F)c(cc1F)C#N	37
+CC(C)(C)OC(N(CC(O)c1c(cc(cc1)[N+](=O)[O-])Br)CCO)=O	23
+CC(C)(C)OC(N(Cc1cc(ccc1Oc2cc(Cl)c(cc2)Cl)Br)C)=O	23
+CC(C)(C)OC(NCc1cc(F)c(c(F)c1)Oc2cc(cc(C(OCC)=O)c2)O)=O	1400
+CC(C)(C)OC(=O)Nc1cc(cc(N)c1)Cl	150
+CC(C)(C)OC(NC(C)(c1cccc(Br)c1)CO)=O	37
+CC(C)(C)OC(N(C(CC(=O)OCC)c1cccc(O)c1)C)=O	23
+CC(C)(C)OC(=O)N(CC(c1ccc(nc1)-n2c(ccc2C)C)O)CC3CCc4c(ccc(I)c4)O3	23
+CC(C)(C)OC(N(C(=O)c1sccc1Br)c2c(c(c(OC)cc2)F)F)=O	7374
+CC(C)(C)OC(=O)N(C1c2c(ccc(c2)I)C(CC1)c3ccc(c(Cl)c3)Cl)C	23
+CC(C)(C)OC(=O)NC(CC=C)c1cccc(-c2c([N+](=O)[O-])cnn2C)n1	37
+CC(C)(C)OC(=O)NCCc1cccc(Br)c1	37
+CC(C)(C)OC(=O)NC=1COCC(c2cccc(Br)c2)(N=1)C	2137
+CC(C)(C)OC(=O)N1CCOC(C1)Cc2cccc(c2)Br	23
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+]([O-])=O)OCc2c(cccc2)C(OC)=O	150
+CC(C)(C)OC(NC(CC(OC)=O)c1ccccc1Cl)=O	37
+CC(C)(C)OC(N(C)C(CO)Cc1sccc1)=O	23
+CC(C)(C)OC(=O)Nc1c2n(nc1CC)c(ccc2)Br	7375
+CC(C)(C)OC(=O)N1CCC(CC1)(c2ccc(cc2)Br)CBr	4137
+CC(C)(C)OC(N1CCc2ccc(Cl)c3NCC(c23)C1)=O	23
+CC(C)(C)OC(=O)n1c2cc(Br)cc(N)c2nc1	1399
+CC(C)(C)OC(NCc1nc(OC)c(C#N)c(c1)C)=O	7376
+CC(C)(C)OC(=O)NC1c2ccccc2C(O)CC1	37
+CC(C)(C)OC(=O)N(C1CCC(c2c3ncccc3[nH]c2)=CC1)C	23
+CC(C)(C)OC(Nc1c(Br)c2c(cc1)nccc2)=O	150
+CC(C)(C)OC(=O)n1nc2c(c(nc3cc4ccccc4cc23)O)c1C	7377
+CC(C)(C)OC(=O)N1CCCN(c2n(c3ccccc3n2)CCO)CC1	23
+CC(C)(C)OC(n1cnc2c(c(ccc12)[N+](=O)[O-])C)=O	1399
+CC(C)(C)OC(=O)N1Cc2cc(c(Cl)cc2C1)I	23
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)Oc3nc(ncc3)Cl	389
+CC(C)(C)OC(N(Cc1cc2c([nH]c(c2)C(=O)OC)nc1)Cc3cccc(c3)[N+]([O-])=O)=O	23
+CC(C)(C)OC(N1Cc2n(c3nc(Br)ccc3c2)C(C1)C)=O	23
+CC(C)(C)OC(=O)n1ccc2cc(C#N)ccc12	389
+CC(C)(C)OC(=O)n1ncc2c1cc([N+](=O)[O-])cc2	868
+CC(C)(C)OC(n1c2c(ccc(SC)c2)cc1C)=O	389
+CC(C)(C)OC(n1c2c(nc1)c(CO)ccc2)=O	1399
+CC(C)(C)OC(NC1c2c(cccc2)CC1O)=O	37
+CC(C)(C)OC(N1CC(c2c3cccc4CCCn(c2)c34)C(c5c[nH]c6c5cccc6)C1)=O	23
+CC(C)(C)OC(=O)Nc1ccc(c2ccccc12)O	150
+CC(C)(C)OC(NCC1C(c2c3c(nn(C)c3)ccc2)C1)=O	37
+CC(C)(C)OC(=O)Nc1cc(cc(Br)c1Cl)C#N	150
+CC(C)(C)OC(NC1Cc2c(cc(cc2)Br)CC1)=O	37
+CC(C)(C)OC(=O)NCc1c2c(OC)cc(cc2c(C(OCC)=O)cn1)OC	37
+CC(C)(C)OC(n1c(nc2ccc(cc12)C=O)-c3c(C)cccc3C)=O	1399
+CC(C)(C)OC(N1CCc2[nH]c3c(cc(C)cc3c2C1)C)=O	23
+CC(C)(C)OC(NCc1cccc2c1n(CC(=O)O)cc2)=O	37
+CC(C)(C)OC(=O)N(C)Cc1cc(Oc2c(c3cc([nH]c3cc2)C)F)ncn1	23
+CC(C)(C)OC(=O)N1C(c2cc(F)cc(F)c2)COCC1=O	3877
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(cc1)I)=O	150
+CC(C)(C)OC(=O)Nc1cc(C(O)=O)ccc1	150
+CC(C)(C)OC(Nc1cccc(C#C)c1)=O	150
+CC(C)(C)OC(=O)Nc1cccc(OCOC)c1	150
+CC(C)(C)OC(=O)N(C)c1cc(ncn1)Cl	1157
+CC(C)(C)OC(=O)NNc1ccc(C)c(c1)Cl	1609
+CC(C)(C)OC(Nc1cc(OC)c(c(c1)OC)C)=O	150
+CC(C)(C)OC(n1c(-c2c(ccc(c2)Br)F)nc3c1ccc(OC)c3)=O	1399
+CC(C)(C)OC(n1c(cc(n1)-c2cnc(OC)cc2)N)=O	1687
+CC(C)(C)OC(N(Cc1c(C)c(N)ccc1)CC)=O	23
+CC(C)(C)OC(n1cc2c3c1C(=O)N(C)C=C3c4cc(cc(F)c4NC2)F)=O	1552
+CC(C)(C)OC(NNc1ccc(cc1Cl)F)=O	1609
+CC(C)(C)OC(N(Cc1cc(ccc1)O)CCc2cccc(Cl)c2)=O	23
+CC(C)(C)OC(N=C1SCC2C(COC2C)(c3c(F)ccc(c3)Br)N1)=O	2720
+CC(C)(C)OC(=O)N(Cc1cc(ccc1I)Br)CC	23
+CC(C)(C)OC(Nc1ccc(cc1[N+](=O)[O-])Br)=O	150
+CC(C)(C)OC(N1CC2CC(=O)Nc3cc(Br)ccc3N2CC1)=O	23
+CC(C)(C)OC(=O)N1CCc2c([nH]c3cc(Br)ccc23)C1	23
+CC(C)(C)OC(n1c2c(ccc(c2)Br)c(CC(OCC)=O)c1)=O	389
+CC(C)(C)OC(N=C1CC(=Cc2c(cc(Br)cc2)N1)C(OCC)=O)=O	2816
+CC(C)(C)OC(N1CCc2c3cc(ccc3[nH]c2C1)Br)=O	23
+CC(C)(C)OC(N(C1CC(N(Cc2ccccc2)C1)C(=O)OC)Cc3c(F)cc(cc3)F)=O	2136
+CC(C)(C)OC(NC(Cc1ccc(c(c1)OC)O)C(=O)O)=O	403
+CC(C)(C)OC(NC(c1ncc(F)cc1F)C)=O	37
+CC(C)(C)OC(N(C)C1CCC(c2ccc(c(Cl)c2)Cl)c3ccc(C(=O)OC)cc13)=O	23
+CC(C)(C)OC(N1C(Cc2c(cc(O)cc2)C1)C(O)=O)=O	663
+CC(C)(C)OC(=O)NC1C(=O)Nc2ccccc2CC1	1245
+CC(C)(C)OC(N1CCc2c(cc(cc2)C(=O)OC)C1)=O	23
+CC(C)(C)OC(n1c2cccc([N+](=O)[O-])c2c(n1)Cl)=O	868
+CC(C)(C)OC(NCCc1c2ccccc2[nH]c1)=O	37
+CC(C)(C)OC(=O)NC1Cc2cc(ccc2C1)Br	37
+CC(C)(C)OC(=O)n1c2ccc(C)cc2cc1C#N	389
+CC(C)(C)OC(=O)N1c2ccccc2CCC1	603
+CC(C)(C)OC(N1CCCC1c2cc3ccc(F)cc3nc2Cl)=O	23
+CC(C)(C)OC(NCCc1ccc(Br)cn1)=O	37
+CC(C)(C)OC(=O)N(Cc1cc([N+]([O-])=O)c(cc1)OC)C	23
+CC(C)(C)OC(=O)N1Cc2c(C1)ccc(Cl)n2	23
+CC(C)(C)OC(Nc1ccc2c(c1)cc(OC)cc2)=O	150
+CC(C)(C)OC(n1c(ccc1C(OCC)=O)Br)=O	1552
+CC(C)(C)OC(N1CC(C(c2ccc(c(c2)Cl)Cl)C1)C(OC)=O)=O	23
+CC(C)(C)OC(c1ccc(cc1[N+](=O)[O-])C(OC)=O)=O	1075
+CC(C)(C)OC(=O)NC(C)c1cc2c(n1-c3cccc(F)c3)cccc2	37
+CC(C)(C)OC(NCc1c(c2c(nc1CC(C)C)ccc(Br)c2)-c3ccccc3)=O	37
+CC(C)(C)OC(N(Cc1cn(S(=O)(=O)c2cccc(c2)C(=O)OC)c(-c3ccccc3)c1)C)=O	23
+CC(C)(C)OC(=O)N(C(C)C(F)c1ccccc1)Cc2cc([N+]([O-])=O)ccc2	23
+CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C	23
+CC(C)(C)OC(=O)NCCC(O)c1ccccc1	37
+CC(C)(C)OC(=O)N1C2CC(CC1CC2)(c3ccccc3)C(O)=O	23
+CC(C)(C)OC(=O)NC1C(Oc2ccccc2NC1=O)c3ccccc3	1245
+CC(C)(C)OC(=O)NCC(O)Cc1ccccc1	37
+CC(C)(C)OC(N1CC(C(=O)OCC)(F)C(Cc2ccccc2)C1)=O	1365
+CC(C)(C)OC(=O)N1CC2C(C1CO)CC(C)C2	1365
+CC(C)(C)OC(=O)N1C(C)(C)CN(C2(CCCC2)C1)Cc3ccccc3	23
+CC(C)(C)OC(=O)N1CCC2N(Cc3ccccc3)C(CCC2)C1	23
+CC(C)(C)OC(=O)NCCC1CN(CC1)Cc2ccccc2	37
+CC(C)(C)OC(=O)NCC1CCN(Cc2ccccc2)C1	37
+CC(C)(C)OC(N(C1CN(CC1)Cc2ccccc2)c3ncc(C=CC(=O)OCC)cc3)=O	1157
+CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1CCO	23
+CC(C)(C)OC(=O)N1C(=O)CN(Cc2ccccc2)C(=O)C1CCCC	7378
+CC(C)(C)OC(N(C1C(c2ccc(c(Cl)c2)Cl)CN(Cc3ccccc3)C1)C)=O	23
+CC(C)(C)OC(=O)NCC1(CN(CC1)Cc2ccccc2)O	37
+CC(C)(C)OC(NC1CCC2CN(CC12)Cc3ccccc3)=O	37
+CC(C)(C)OC(N1CCCC2CN(Cc3ccccc3)CC12)=O	23
+CC(C)(C)OC(=O)N1CCC(CC1)(c2cc(nc(Cl)n2)N3CCOCC3C)S(=O)(=O)C4CC4	1365
+CC(C)(C)OC(NC1CN(Cc2ccccc2)CCCC1)=O	37
+CC(C)(C)OC(=O)N(CCN1C=2C(C(N=C(N=2)O)=O)=Nc3cc(c(cc13)Cl)C)Cc4ccccc4	23
+CC(C)(C)OC(=O)NC1C(F)CN(C(=O)OCc2ccccc2)C1	37
+CC(C)(C)OC(NC1CCCCN(C1)C(=O)OCc2ccccc2)=O	37
+CC(C)(C)OC(=O)NCC1CN(C(OCc2ccccc2)=O)CC1=NOC	37
+CC(C)(C)OC(N(C1CCCC(C1O)NC(OCc2ccccc2)=O)C)=O	23
+CC(C)(C)OC(NCC1(c2ccccc2)C(COCc3ccccc3)C1)=O	37
+CC(C)(C)OC(=O)Nc1c(N2C(CC(COCc3ccccc3)C2)=O)nn(C)c1	7379
+CC(C)(C)OC(NCC(C)OCCOCc1ccccc1)=O	1401
+CC(C)(C)OC(NC(C(=O)O)C(C)(C)SCc1ccccc1)=O	403
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(-c3ccc(cc3)OC)c(-c4ccc(cc4)OC)[nH]2	23
+CC(C)(C)OC(=O)n1c2c(cc(-c3ccc(cc3)C#N)cc2)cc1	389
+CC(C)(C)OC(=O)Nc1ccc(cn1)-c2ccc(cc2)C(OC)=O	718
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2csc(n2)N	37
+CC(C)(C)OC(=O)NCc1ccc(cc1)-c2csc(n2)N	1400
+CC(C)(C)OC(NCc1c2c(ccc1)c(O)nc(-c3ccc(cc3)CN4CCN(CC4)C)c2)=O	1400
+CC(C)(C)OC(Nc1c2c(nn(-c3ccc(cc3)[N+]([O-])=O)c2ncn1)I)=O	718
+CC(C)(C)OC(=O)N1CC2CC2(c3ccc(cc3)Br)C1	23
+CC(C)(C)OC(=O)N(CC(c1cccnc1)O)CCCc2ccc(cc2)Br	23
+CC(C)(C)OC(=O)N(CC(O)c1cccnc1)CCc2ccc(cc2)Br	23
+CC(C)(C)OC(=O)NCc1ccc(cc1)N2C(=O)OC(C(=O)O)C2	1400
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)C#N)=O	23
+CC(C)(C)OC(N(c1cc(C)c(cc1)Br)c2ccc(cc2)C#N)=O	7380
+CC(C)(C)OC(=O)NCCc1ccc(cc1)C(=O)O	37
+CC(C)(C)OC(NCC(C)(C)c1ccc(cc1)[N+](=O)[O-])=O	37
+CC(C)(C)OC(N(C)CC(CC=C)c1ccc(cc1)F)=O	23
+CC(C)(C)OC(=O)NCc1ccc(cc1)C(OC)=O	37
+CC(C)(C)OC(NCc1c(-c2ccc(cc2)C)c(c(C)nc1CC(C)C)C(OC)=O)=O	37
+CC(C)(C)OC(NCc1c(-c2ccc(cc2)C)c3cc(ccc3nc1CC(C)C)O)=O	2751
+CC(C)(C)OC(=O)NC1(CCCC1NS(=O)(=O)c2ccc(cc2)C)C	37
+CC(C)(C)OC(N1Cc2c3c(c(Sc4ccc(cc4)C)ccc3)[nH]c2CC1)=O	23
+CC(C)(C)OC(=O)NCc1ccc(cc1)C2(CCCCC2)O	1400
+CC(C)(C)OC(NC1CC1c2ccc(cc2)O)=O	37
+CC(C)(C)OC(N1CC(c2ccc(cc2)Br)CC1)=O	23
+CC(C)(C)OC(N1CC(c2ccc(cc2)N)SCC1)=O	23
+CC(C)(C)OC(=O)NCc1ccc(cc1)CC(=O)O	37
+CC(C)(C)OC(=O)NCCC1(CCCC1)C(=O)NC(Cc2ccc(cc2)[N+]([O-])=O)C(OC)=O	37
+CC(C)(C)OC(N1CCOC(Cc2ccc(cc2)OCc3ccccc3)C1)=O	23
+CC(C)(C)OC(=O)NCCc1ccc(cc1)N	37
+CC(C)(C)OC(=O)N(CCc1ccc(cc1)O)Cc2ccccc2	23
+CC(C)(C)OC(Nc1ccc(cc1)CCO)=O	150
+CC(C)(C)OC(=O)Nc1ccc(cc1)CCc2c(Cc3ccc(cc3)S(=O)(=O)C)sc(NC(C)=O)n2	150
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)CF)C(O)=O	403
+CC(C)(C)OC(NCc1ccc(cc1)CNC(N2CCN(CC2)C(=O)CNC(OCc3ccccc3)=O)=O)=O	37
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)[N+]([O-])=O	23
+CC(C)(C)OC(=O)Nc1ncnc2n(-c3cccc([N+](=O)[O-])c3)c(c(-c4ccc(cc4)Cl)c12)Cl	718
+CC(C)(C)OC(NCC(c1ccc(cc1)Cl)CC(O)=O)=O	37
+CC(C)(C)OC(N1CCC(CC1)(c2ccc(cc2)Cl)C(=O)C)=O	23
+CC(C)(C)OC(=O)N(CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F)CC(=O)OCC	663
+CC(C)(C)OC(=O)N1CC(C(c2ccc(cc2)F)CC1)CO	1688
+CC(C)(C)OC(=O)N(CCc1ccc([N+](=O)[O-])cc1Cl)Cc2ccc(cc2)F	23
+CC(C)(C)OC(=O)Nc1ccc(cc1)CO	150
+CC(C)(C)OC(=O)Nc1ccc(cc1)I	150
+CC(C)(C)OC(=O)Nc1ccc(cc1)Sc2ccc(cc2[N+](=O)[O-])C(=O)OC	150
+CC(C)(C)OC(NC1CN(CC1)c2ccc(cc2)C(OC)=O)=O	37
+CC(C)(C)OC(=O)Nc1ccc(cc1)N2CCN(CC2)C	150
+CC(C)(C)OC(=O)NCCN1CCN(CC1)c2ccc(cc2)[N+]([O-])=O	1401
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)O)C	37
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC#CC)C(=O)O	403
+CC(C)(C)OC(NC(C)(C)COc1ccc(cc1)C#N)=O	37
+CC(C)(C)OC(NCC(CCOc1ccc(cc1)C#N)O)=O	37
+CC(C)(C)OC(NCCOc1ccc(cc1)[N+]([O-])=O)=O	37
+CC(C)(C)OC(N(CCc1ccccn1)c2ccc(cc2)[N+]([O-])=O)=O	603
+CC(C)(C)OC(NCCOCCOCCOCCOc1ccc(cc1)[N+](=O)[O-])=O	37
+CC(C)(C)OC(N(CCO)CC(c1ccc(cc1)[N+]([O-])=O)O)=O	23
+CC(C)(C)OC(=O)N(CCc1ccc(cc1)[N+]([O-])=O)Cc2ccccc2	2136
+CC(C)(C)OC(=O)N(CCOc1ccc(cc1)[N+]([O-])=O)CC	23
+CC(C)(C)OC(N=C1NC(c2ccncc2)(c3cccnc13)c4cc(ccc4)O)=O	2816
+CC(C)(C)OC(c1ccc(cn1)C(OC)=O)=O	1075
+CC(C)(C)OC(Nc1ncc(cc1)Br)=O	718
+CC(C)(C)OC(=O)N1c2ccc(Br)cc2CC1	603
+CC(C)(C)OC(=O)NC1Cc2cc(O)ccc2C1	37
+CC(C)(C)OC(=O)N(CCc1ncccc1)Cc2cc(ccc2)CCOC3OCCCC3	23
+CC(C)(C)OC(NNc1cc(ccc1)C(OC)=O)=O	1609
+CC(C)(C)OC(=O)N(Cc1cc(ccc1)CCO)Cc2ccccc2O	23
+CC(C)(C)OC(=O)N(CC(C(O)C1CCCCC1)N2C(c3ccccc3C2=O)=O)C	23
+CC(C)(C)OC(=O)n1ccnc1CCNC(c2ccccc2N)=O	7381
+CC(C)(C)OC(=O)N1CCC(CC1c2ccccc2OC)O	23
+CC(C)(C)OC(=O)n1nc(c2cc([N+](=O)[O-])ccc12)-c3ccccc3	868
+CC(C)(C)OC(NC(c1nc2c(cc(F)cc2)c(c1-c3ccccc3)C(=O)OC)C)=O	37
+CC(C)(C)OC(Nc1ccc(-c2ccccc2)nc1Br)=O	970
+CC(C)(C)OC(=O)N(C1CCC(C(=O)O)C1)Cc2ccc(cc2)-c3ccccc3	23
+CC(C)(C)OC(=O)NCC(C1CC1)NC(c2ccccc2)C	37
+CC(C)(C)OC(=O)NCC(c1ccccc1)O	37
+CC(C)(C)OC(=O)NC(c1ccccc1)COc2ccc(c(N)c2)[N+]([O-])=O	37
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CNC(OC(C)(C)C)=O	37
+CC(C)(C)OC(=O)N1CCC(CC1)(c2ccccc2)C(O)=O	23
+CC(C)(C)OC(NC1CCCC(NC1=O)c2ccccc2)=O	7382
+CC(C)(C)OC(=O)N1CCCC(c2ccccc2)C1C(=O)O	663
+CC(C)(C)OC(=O)N1CCNC(c2ccccc2)C1	23
+CC(C)(C)OC(NC(Cc1ccccc1)CCCc2ccccc2C(=O)OC)=O	37
+CC(C)(C)OC(NC(Cc1ccccc1)(CO)C)=O	37
+CC(C)(C)OC(N1CC(C(=O)OCC)(F)C(Cc2ccccc2)C1)=O	23
+CC(C)(C)OC(=O)NC1C(N(Cc2ccccc2)C(CC1)=O)c3c(ccc(c3)F)F	7383
+CC(C)(C)OC(=O)N1CCC2(N(Cc3ccccc3)CCC2)C1	23
+CC(C)(C)OC(=O)N(C(C)C)C1CCN(CC1)Cc2ccccc2	23
+CC(C)(C)OC(=O)N1Cc2c(ncn2CC1)C(=O)OC	1365
+CC(C)(C)OC(=O)N(CCN(S(=O)(=O)C)c1cc2C(=O)N(C(c2cc1)=O)CC(=O)OCc3ccccc3)CCOC	23
+CC(C)(C)OC(=O)NC1CCC(C)N(C(=O)OCc2ccccc2)CC1O	37
+CC(C)(C)OC(NCC1(C)C(C)(C)C(NC(OCc2ccccc2)=O)CC1)=O	37
+CC(C)(C)OC(=O)NOC(Cc1ccccc1)C(OCc2ccccc2)=O	4142
+CC(C)(C)OC(N(CCO)C1CCC(CC1)N(C)C)=O	1688
+CC(C)(C)OC(N1C(CCC(O)C1)C)=O	1688
+CC(C)(C)OC(N1CCN(C)CC1C(N(C)OC)=O)=O	1688
+CC(C)(C)OC(N(C1C(O)CN(C(OCc2ccccc2)=O)CC1)Cc3ncc4OCCOc4c3)=O	23
+CC(C)(C)OC(=O)Nc1cc2c(cc1OC)C34CCCCC3C(C2)N(CC4)C(OCc5ccccc5)=O	150
+CC(C)(C)OC(=O)NC(C)Cn1c2c(ccc3OCC(Oc23)CO)cn1	1688
+CC(C)(C)OC(NCC1C(NC(=O)OCc2ccccc2)CCN1C(=O)OCc3ccccc3)=O	1401
+CC(C)(C)OC(=O)NC12C3CC(CC(C3)C1)(COCc4ccccc4)C2	37
+CC(C)(C)OC(NC1(CC1)CCOCc2ccccc2)=O	37
+CC(C)(C)OC(NCCc1c(cc(C(C)C)cc1)OCc2ccccc2)=O	37
+CC(C)(C)OC(=O)NCc1c(cc(cc1)F)OCc2ccccc2	37
+CC(C)(C)OC(NC(C)(C)CNc1c2c(ccc(c2)OCc3ccccc3)ncc1[N+](=O)[O-])=O	37
+CC(C)(C)OC(N1CC(c2cc(OCc3ccccc3)ccc2C1)O)=O	23
+CC(C)(C)OC(=O)N1Cc2ccc(cc2OCC1)OCc3ccccc3	23
+CC(C)(C)OC(=O)NCCC(c1ccc(cc1)N(C)c2ccc(cc2)OCc3ccccc3)C	37
+CC(C)(C)OC(=O)NCC1=C(c2c(ccc(c2)OCc3ccccc3)C(=O)N1CC(C)C)OCCCC	2507
+CC(C)(C)OC(N1CC2C(C1)c3c(CO2)cc(cc3)OCc4ccccc4)=O	23
+CC(C)(C)OC(Nc1c(OCc2ccccc2)cccc1F)=O	150
+CC(C)(C)OC(=O)NCCC(c1cc(ccc1)OCc2ccccc2)O	37
+CC(C)(C)OC(=O)n1c(cc2c(OCc3ccccc3)cccc12)C(OCC)=O	389
+CC(C)(C)OC(NCc1nc2c(n1Cc3ccccc3)C(=O)N(C(=O)N2C)CCCCC(O)C)=O	37
+CC(C)(C)OC(N1CCCC(N(C(=O)CC)c2ccccc2)C1)=O	23
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(c(c2)[N+]([O-])=O)Sc3ccccc3	23
+CC(C)(C)OC(=O)Nc1cc(c(-n2cccc2)cc1[N+](=O)[O-])OCCOC	150
+CC(C)(C)OC(=O)Nc1ncc(cc1)C	718
+CC(C)(C)OC(=O)n1c2ccccc2cc1-c3cnco3	389
+CC(C)(C)OC(=O)n1c2cc([N+]([O-])=O)c(cc2c(I)n1)C	868
+CC(C)(C)OC(=O)n1nc(c2ccc([N+]([O-])=O)cc12)I	868
+CC(C)(C)OC(NC1CCCN(C1)c2nc(Cl)nc3CCCCc23)=O	37
+CC(C)(C)OC(Nc1n(c2ccc(Nc3nc(ncc3)Cl)cc2n1)C)=O	4141
+CC(C)(C)OC(N(CC)Cc1c(c(Br)cnc1)C)=O	23
+CC(C)(C)OC(=O)N1CCc2nc3ccnn3c(Cl)c2CC1	23
+CC(C)(C)OC(=O)N(CCCCC(OC)=O)c1ncccc1	1157
+CC(C)(C)OC(=O)N1Cc2n(cnn2)CC1	23
+CC(C)(C)OC(N(Cc1ccc(s1)C(OC)=O)C)=O	23
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(c3s2)Oc4ccc([N+]([O-])=O)cc4F)cc1)CCOC	23
+CC(C)(C)OC(N(CCOC)Cc1n(c(nc1)-c2cc3c(c(Oc4ccc([N+]([O-])=O)cc4F)ccn3)s2)C)=O	23
+CC(C)(C)OC(=O)Oc1ccc(c(C#CC(C)(C)O)c1)-c2cc(OC)ccc2F	4144
+CC(C)(C)OC(=O)Oc1cc(c(cc1)-c2c(ccc(OC)c2)F)C#CC(C)(C)OC	4145
+CC(C)(C)OC(=O)NCC(C)(C)N	7384
+C(C)OC(c1ncc(C(=O)O)[nH]1)=O	153
+c1(C)c(C(=O)O)ncc(C#N)c1	153
+CC(C)(C)Cc1nc(c(c(c1C#N)-c2ccc(cc2)C)C(O)=O)C	153
+CC(C)(C)OC(c1ccccc1CN2C(=O)C3(CCN(CC3)CCCC(=O)c4ccccc4)N(c5ccccc5)C2)=O	183
+CC(C)(C)OC(=O)c1cc(C2CC2)c(OCC3(CCC4(CC3)OCCO4)C)cc1F	2530
+c1cc(ccc1-c2c(C(=O)NC)c3cc(c(cc3o2)CC(=O)OC)-c4cc(C(O)=O)c(F)cc4)F	153
+Nc1c(C(=O)O)ncc(C#N)c1	153
+C1CCC(C1)Sc2c(C(O)=O)cnn2-c3ccc(cc3)C(OC)=O	153
+O=C(c1cc(-c2ccccc2[N+]([O-])=O)[nH]c1C)O	153
+C(C)OC(c1c2cccnn2c(C(=O)O)c1C)=O	153
+C1CC1c2ncc(cc2Cl)Oc3c(cc(C(=O)O)c(c3)Cl)Cl	153
+CC(C)(C)OC(=O)c1nc(n(c1C)-c2ccc(cc2)[N+]([O-])=O)-c3c(cccc3)Cl	431
+c1cc(ccc1-c2c(C)cc(C(=O)O)cc2)C#N	153
+CC(C)(C)OC(=O)c1cc(C2CC2)c(OCC3(CCC(CC3)O)C)cc1F	100
+CC(C)(C)OC(=O)c1cc(C2CC2)c(OCC3(CCC(CC3)=O)C)cc1F	97
+CC(C)(C)OC(c1cc(C)nc(CC)c1)=O	7385
+CC(C)(C)OC(=O)c1cc(Cl)nc(c1)N(C)C	43
+CC(C)(C)OC(c1cc(Cl)nc(NN)c1)=O	383
+CC(C)(C)OC(c1cc(C=C)nc(N(C)C)c1)=O	3354
+CC(C)(C)CNC(c1cc(c(-c2c(C)c(F)cc(C(OC(C)(C)C)=O)c2)cc1)C(=O)O)=O	1
+C1CC1(C(=O)OCC)c2ccc(cc2)-c3c(OC)cc(-c4sc(cc4C(O)=O)F)cc3	153
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OCC)-c4c(C(=O)O)cc(F)s4	153
+C1CC(CCC1)c2c-3n(c4cc(C(O)=O)ccc24)CC(C(=O)OC)=Cc5cc(OC)ccc-35	153
+C(c1ccc2c(c1)ccn2-c3ccc(CC(OC)=O)cc3C#N)(=O)O	153
+c1c(c(ccc1)F)-c2ccc(C(=O)O)cn2	153
+CC(C)(C)OC(=O)c1ccc(nc1Cl)-c2cc(cc(F)c2)OCC(C)C	140
+O=S1(=O)N(CCOC1)c2cc(c(cc2)C(O)=O)Cl	153
+CC(C)(C)OC(c1ccc(NC2CCNCC2)c(c1)[N+](=O)[O-])=O	2
+c1cc(ccc1C(=O)O)C#CC#N	153
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(Nc2ccccc2)=O)CNC(C)=O	33
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(OC)=O)CNC(C)=O	68
+c1ccccc1NC(=O)C(c2ccc(cc2)C(=O)O)CNC(C)=O	153
+c1cc(ccc1C(=O)O)C(C(OC)=O)CNC(=O)NC	153
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(=O)O)CNC(=O)C	4
+c1ccccc1C2=C(N(Cc3ccc(cc3)C(O)=O)C(c4ccc(C(=O)N)cc24)=O)C(=O)OC	153
+CC(C)(C)OC(=O)c1ccc(cc1)CN2C(c3c(cc(C(=O)O)cc3)C(=C2C(=O)OC)c4ccccc4)=O	1
+CC(C)(C)OC(=O)c1ccc(cc1)CN2C(=C(c3ccccc3)c4c(ccc(C(=O)N)c4)C2=O)C(=O)OC	169
+CC(C)(C)OC(c1ccc(cc1)NC(c2cc(ccc2)-c3cc(c4ncnn4c3)Nc5ccc(c(n5)OC)OC)=O)=O	7386
+CC(C)(C)OC(=O)c1ccc(cc1)NCCNS(=O)(=O)c2ncn(C)c2	4146
+CC(C)(C)OC(=O)c1ccc(cc1)NCCN(S(=O)(=O)c2ncn(C)c2)Cc3ccccc3	692
+CC(C)(C)OC(c1c(O)cc(OC(=O)c2ccc(cc2)-c3ccccc3)cc1)=O	1039
+CC(C)COc1cc(F)cc(-c2nc(Cl)c(cc2)C(O)=O)c1	153
+CC(C)(C)OC(=O)c1ccc2c(CCC2Nc3cc(C(OC)=O)nc4ccnn34)c1C	1005
+C(OC)(c1cc(ccc1[N+]([O-])=O)C(=O)c2ncc3ccc(C(=O)O)cn23)=O	153
+CC(C)(C)OC(c1nc(-c2ccc3N(C)CCNc3c2)ccc1)=O	245
+CC(C)(C)OC(=O)c1ccccc1N2C(C3(CCN(CC3)CCCC(=O)c4ccccc4)N(c5ccccc5)C2)=O	183
+c1ccccc1N2CN(c3ccccc3C(O)=O)C(=O)C24CCN(CC4)CCCC(=O)c5ccccc5	153
+CC(C)(C)OC(=O)c1ccccc1N2C(=O)C3(CCNCC3)N(c4ccccc4)C2	62
+CC(C)(C)OC(c1nnn(CC(F)C#Cc2cc3cc(-c4c(cccc4)F)[nH]c3nn2)c1)=O	4147
+CC(C)(C)OC(c1cnc(NN)c(Cl)c1)=O	383
+C1CN(CCC1NC(=O)c2cnc(-c3cc(F)ccc3)cc2)c4ncc(C(=O)O)cc4	153
+c12c(N(CCN1C(Nc3sc4c(cccc4)n3)=O)C)ccc(-c5nc(ccc5)C(=O)O)c2	153
+c1cc(ccc1)COc2c(nc(CC3(CCCC3)c4ncccc4)nc2O)C(O)=O	153
+c1cc(ccc1[N+]([O-])=O)-n2c(C)c(C(O)=O)nc2-c3ccccc3Cl	153
+CC(C)(C)OC(c1nccc(Oc2ccc(N)c(c2)F)c1)=O	242
+CC(C)(C)OC(n1c2c(cc1-c3c(Cl)nc4ccccc4c3)cc(C=O)cc2)=O	39
+c1cc(ccc1C(=O)C)Oc2cc(-c3ccc(-c4nccs4)[nH]3)cc(c2)OC(COC)C	2817
+O=S(=O)(NC1CCCCC1)c2c(ccc(c2)-c3cc4cccc(Cl)c4[nH]3)Cl	535
+CC(C)(C)OC(n1c(-c2ccc(cc2)S(=O)(=O)Nc3ccc(cc3C(=O)c4ccncc4)Cl)ccc1)=O	3839
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(=O)OCC)Cl)CC#N	1689
+O=S(=O)(c1cc2c(cc(C)[nH]2)cc1)C	535
+FC(F)(c1ccc(F)cn1)c2nc(Nc3cc(n[nH]3)C)c4c(n2)cc(cc4)OC	921
+CC(C)(C)OC(=O)n1c2cccc(O)c2cc1C(OCC)=O	16
+C(C)OC(c1cc2c(cccc2[nH]1)OCc3c4ccc(cc4oc3)F)=O	535
+CC(C)(C)OC(=O)n1c2c(cc1C(OC)=O)cc(cc2[N+]([O-])=O)COC(=O)C	283
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(OC)=O)CN3C(=O)c4ccccc4C3=O)[N+]([O-])=O	1930
+c1ccccc1S(=O)(=O)Nc2cc(-c3[nH]c4c(cccc4)c3)ccc2Cl	535
+c1c(O)cccc1Nc2oc(-c3cc4ccccc4[nH]3)cn2	535
+c1cc(ccc1-c2[nH]c(cc2)C#N)NS(=O)(=O)CC	2817
+CC(C)(C)OC(n1c2ccccc2nc1-c3c(Cl)ccc(N4CC(CCC4)C(=O)OCC)c3)=O	79
+CC(C)(C)OC(n1c2c(cc(NC(=S)NCCN)c(C)c2nc1)F)=O	1167
+CC(C)(c1c2c([nH]c1)cccc2)C#N	535
+CC(C)(C)OC(n1c2ccccc2c(CC(C)N(S(=O)(=O)c3c(C)cc(cc3C)C)C)c1)=O	693
+c1ccccc1-c2c3c(ccc(c3)NS(=O)(=O)c4cc(F)ccc4)n[nH]2	922
+C1CC1Nc2nc(Nc3cc4c(cc3)c(C)[nH]n4)nc5c2occ5	922
+c12[nH]c3C(CCCc3c1c(c(Cl)cc2)Cl)=O	535
+CC(C)(C)OC(=O)n1c2ccc(-c3noc(-c4cc(c(cc4)OC(C)C)C#N)n3)cc2cc1	529
+CC(C)(C)OC(=O)n1c(-c2ccc(c(S(=O)(=O)NC3CCCCC3)c2)Cl)cc4cccc(Cl)c14	7387
+c12cc(ccc1nc[nH]2)Nc3nc(Br)cn4ccnc34	4148
+c1(n[nH]c2c(F)cccc12)OC	922
+c1c(c2[nH]ccc2cc1)CSC	535
+CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(nc4cc(c(cc34)OC(C)=O)OC)-c5cc(ccc5)[N+](=O)[O-])ccc12	73
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(-c4cccc([N+]([O-])=O)c4)nc5ccccc35)c2	73
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(nc4ccccc34)-c5cccc(c5)OC(C)=O)c2	73
+CC(C)(C)OC(n1cnc2c1cc(Br)cc2NCCC(F)(F)F)=O	839
+CC(C)(C)OC(n1c2cc([N+]([O-])=O)c(cc2c(-c3ccccc3)n1)C)=O	1196
+CC(C)Oc1ccc(cc1C#N)-c2nc(no2)-c3ccc4c(cc[nH]4)c3	535
+FC(F)Oc1cc2c([nH]nc2cc1)I	922
+C(C)N(CC)CCCCOc1cc2cc[nH]c2cc1	535
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)Oc3nc(Nc4cccc(N)c4)ncc3	0
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)Oc3nc(Nc4cccc(c4)[N+]([O-])=O)ncc3	55
+CC(C)(C)OC(=O)n1nc(c2c(N)ccc(Cl)c12)Cl	7388
+CC(C)(C)OC(=O)n1c2ccccc2cc1-c3oc(nc3)Cl	2138
+CC(C)(C)OC(=O)n1c(cc2ccccc12)-c3cnc(Nc4cc(ccc4)O)o3	4149
+O(CC)C(C=Cc1c2cc(-n3ncnc3)ncc2[nH]c1)=O	7389
+C(C1CC1c2ncc(OC)cc2)Oc3c(-c4c[nH]nc4)cnc(n3)C	921
+c1cc(ccc1)Oc2c(ccc3c2CCC(C)N3C(C4CC4)=O)-c5c[nH]nc5	921
+CC(C)(C)OC(=O)n1ncc(C=O)c1	576
+CC(C)(C)OC(=O)n1cc(CCCCCc2cn(nn2)CCNC(CCCCCCCCCCC)=O)nc1N	642
+CC(C)(C)OC(n1c(N)nc(c1)CCCCCc2cn(CCNC(c3ccccc3I)=O)nn2)=O	642
+CC(C)(C)OC(n1ccc2ccc(cc12)CO)=O	41
+CC(C)(C)OC(=O)n1c2c(cc1)cc(cc2)C(NO)=N	181
+CC(C)(C)OC(n1cnc2c(c(N)cc(F)c12)C)=O	0
+CC(C)(C)OC(=O)n1c2cc(Nc3ccccc3Cl)c(C)cc2c(n1)-c4ccccc4	230
+c1nc(ncc1)-c2c(Nc3c4c(c(cc3)Cl)n[nH]c4CCCN)c5c(o2)cncc5	922
+CC(C)(C)OC(=O)n1nc(c2cc(C3C(=C(C)NC(=C3C#N)C)C#N)ccc12)NS(=O)(=O)CCC	802
+C1(=C(C#N)C(C(=C(C)N1)C#N)c2ccc3n[nH]c(NS(=O)(=O)CCC)c3c2)C	922
+CC(C)(C)OC(n1c2ccc(N)cc2c(-c3ccccc3)n1)=O	0
+CC(C)(C)OC(n1nc(-c2ccccc2)c3ccc(cc13)N)=O	0
+CC(C)(C)OC(=O)n1nc(c2ccc([N+]([O-])=O)cc12)-c3ccccc3	1196
+CC(C)(C)OC(n1nc(C)c2ccc(cc12)N)=O	0
+CC(C)(C)OC(=O)n1ncc(CNc2cnc(C(C)C)cc2)c1	4150
+CC(C)(C)OC(=O)n1cc(cn1)CO	536
+CC(C)(C)OC(n1c2c(cn1)ccc(c2)N)=O	0
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(nc4ccccc34)-c5cccc(OCC(=O)NCCN(C)C)c5)c2	648
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(-c4cc(OCc5occn5)ccc4)nc6ccccc36)c2	4151
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(-c4cccc(OCc5nccn5C)c4)nc6ccccc36)c2	2818
+c12c(ccc(c1)Nc3nc(nc4c3cccc4)-c5cc(OCc6nccn6C)ccc5)n[nH]c2	922
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(nc4ccccc34)-c5cc(ccc5)N)c2	0
+CN(C)CCNC(=O)COc1cccc(c1)-c2nc3c(cccc3)c(Nc4cc5cn[nH]c5cc4)n2	922
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3c4ccccc4nc(-c5cccc(c5)O)n3)c2	173
+CC(C)(C)OC(=O)n1ncc2c1ccc(c2)N(C)c3nc(-c4cc(ccc4)OCC(=O)NC(C)C)ncc3	261
+CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(nc4cc(OC)c(O)cc34)-c5cc(ccc5)[N+](=O)[O-])ccc12	173
+C1CC1NC(c2cc(c(C)c(F)c2)-c3ccc4c(c[nH]n4)c3)=O	922
+CC(C)(C)OC(c1cn(nn1)CC(COCc2ccccc2)O)=O	2342
+CC(C)(C)OC(=O)c1c(nc(-c2ccccc2Cl)[nH]1)C	4152
+CC(C)(C)OC(C1=C(c2c(C(N1C)=O)cc(CNS(=O)(=O)N(C)C)cc2)c3ccc(c(C)c3)C)C(=O)OC	7390
+CC(C)(C)OC(C(=O)OC)c1c(-c2cc3CCCOc3cc2)sc(C)n1	836
+CC(C)(C)OC(C(OCC)=O)c1c(cc(-c2ccccc2)s1)Br	268
+CC(C)(C)OC(=O)C(NC(C(OCC)=O)CSCCCCCCC)C	7391
+CC(C)(C)OC(C(n1c(cc2c(c(C#N)ccc12)Cl)C(F)F)C)=O	3317
+CC(C)(C)OC(C(Oc1ccc(C#N)c(c1)F)C)=O	289
+O=S(=O)(c1cc(Cl)ccc1C(=O)CC(C2CC2)=O)C	4068
+CC(C)(C)OC(=O)C(CNS(=O)(=O)c1c([N+]([O-])=O)cccc1)C(=O)OC	71
+CC(C)(C)OC(C(C)(C)Cc1ccc(cc1)C=O)=O	146
+CC(C)(C)OC(=O)C(C)(C)Cc1ccc(cc1)CNCc2occc2	42
+CC(C)(C)OC(C(C)(C)Oc1cc(ccc1C(c2ccc(cc2)O)=O)OC)=O	16
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)C(OCC=2N(CCC)C(N(Cc3ccc(cc3)C)N=2)=O)=O)=O	47
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)C(=O)O)=O	1
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)CNCc2ocnc2C)=O	42
+CC(C)(C)OC(C(C)(C)Oc1cccc(CC(O)=O)c1)=O	2819
+CC(C)(C)OC(C(C)(C)Sc1scc(CCN)n1)=O	45
+c1cc(ccc1-c2ccc(OCCc3csc(n3)SC(C)(C)C(O)=O)c(c2)C(N4CCOCC4)=O)F	32
+CC(C)(C)OC(C(C)(C)Sc1scc(CC(O)=O)n1)=O	3
+c1cc(ccc1Br)CN(c2ncc(cn2)CC)CCc3nc(SC(C)(C)C(O)=O)sc3	32
+CC(C)(C)OC(C(C)(C)Sc1nc(CCOc2ccc(-c3ccc(cc3)F)cc2C(=O)O)cs1)=O	1
+CC(C)(C)OC(C(C)(C)Sc1scc(n1)CCO)=O	21
+CC(C)(C)OC(C(C)(C)Sc1scc(CCNc2ncc(cn2)CC)n1)=O	96
+CC(C)(C)OC(C(C)(C)Sc1nc(cs1)CCN(Cc2ccc(cc2)Br)c3ncc(cn3)CC)=O	7392
+CC(C)(C(OC)=O)Sc1nc(cs1)CCOc2ccc(cc2)I	7393
+CC(C)(C)OC(C(C)(C)Sc1scc(CCOc2ccc(cc2)I)n1)=O	20
+CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ccc(cc2)-c3ccc(cc3)[N+](=O)[O-])cs1	20
+CC(C)(C)OC(=O)C(C)N1C=CC(=CC1=O)c2c(ccc(Cl)c2)C#N	7394
+C1CCCCC1CCN(C(=O)NC(C(O)=O)C)CCSC(=O)C	32
+CC(C)(C)OC(C(C)NC(=O)N(CCSC(=O)C)CCC1CCCCC1)=O	2495
+CC(C)(C)OC(=O)C(CN)C1(CC(C)C)CCN(CCc2ccccc2)C1=O	18
+C1CCCC1C(c2ccc(cc2)CN3Cc4c(cc(F)c(F)c4)C3=O)C(=O)O	32
+CC(C)(C)OC(=O)c1c([nH]c(-c2c(cccc2)[N+](=O)[O-])c1)C	7395
+c1ccccc1CCC(CSC(=O)C)C(=O)NC(C(=O)O)CC(C)C	32
+CC(C)(C)OC(=O)C(C(=O)O)CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CCCC=C	4
+C1CCC(C1)C(CS(=O)(=O)N2CCC(CC2)Oc3c(Br)cc(cc3)F)C(O)=O	32
+CC(C)(C)OC(C(NC(C(N)C)=O)Cc1c[nH]c2c1cccc2)=O	334
+c1c2c([nH]cc2CC(C(=O)O)NC(=O)C(C)NC(c3ccnn3C)=O)ccc1	32
+NC(Cc1ccc(Br)nc1)C(=O)O	32
+CC(C)(C)OC(C(CC(C)C)NC(=O)C(CCc1ccccc1)CSC(=O)C)=O	188
+CC(C)(C)OC(C(NS(=O)(=O)c1ccc(cc1)-c2ccc(cc2)Cl)CCCN3C(=O)c4ccccc4C3=O)=O	592
+CC(C)C(N1Cc2c(cnc3[nH]cc(C1=O)c23)F)C(=O)O	32
+Clc1ccc(C#N)c(C=2C(Cl)=CN(C(C=2)=O)C(C(=O)O)CC3CCCCO3)c1	32
+CC(C)(C)OC(C(Cc1c[nH]c2c1cccc2)NC(=O)C(C)NC(c3n(ncc3)C)=O)=O	712
+CC(C)(C)OC(C(NC(OCc1ccccc1)=O)CNC(=O)c2ccc(cc2)CCC(NC=3NCCCN=3)=O)=O	7396
+c1cc(ccc1CCC(NC=2NCCCN=2)=O)C(=O)NCC(NC(OCc3ccccc3)=O)C(O)=O	32
+c1cc(ccc1S(=O)(=O)NC(CCCN2C(c3c(C2=O)cccc3)=O)C(=O)O)-c4ccc(cc4)Cl	32
+c1cc(ccc1)S(=O)(=O)NC(Cc2ccc(cc2)OCCCC(N=C3NCCCN3)=O)C(=O)O	32
+CC(C)(C)OC(C(NS(=O)(=O)c1ccccc1)Cc2ccc(cc2)OCCCC(N=C3NCCCN3)=O)=O	7397
+c1cc(ccc1N2C(C(C(O)C(=O)O)OCC2)=O)C	32
+CC(C)(C)OC(C(O)C1C(=O)N(c2ccc(cc2)C)CCO1)=O	883
+CC(C)(C)OC(C(OC)=O)c1c(nc2c(Br)c(-c3ccccc3)nn2c1-c4cc(c5c(CCCO5)c4C)F)C	4153
+CC(C)(C)OC(c1c(nc2n(nc(c2)N)c1-c3cc(c4c(CCCO4)c3C)F)C)C(O)=O	3
+CC(C)(C)OC(C(OCC)=O)c1c(-c2cc(c3c(CCCO3)c2C)F)n4nc(cc4nc1C)N	7398
+CC(C)(C)OC(c1sc(-c2ccccc2)cc1-c3ccc4OCCCc4c3)C(OCC)=O	1402
+CC(C)(C)OC(=O)C(Oc1cc(F)c(cc1)CNC(c2cccnc2Oc3cc4c(non4)cc3)=O)C	56
+CC(C)(C)OC(C(Oc1cc(c(CN)cc1)F)C)=O	107
+CC(C)(C)OC(C(CCCCl)=Cc1cc(c(-n2cc(nc2)C)cc1)OC)=O	1096
+C1CCCC1C(c2ccc(cc2)COC(C)=O)C(O)=O	32
+c1cc(ccc1C(C(=O)O)C)N2C(c3c(C2)ccc(Cl)c3)=O	32
+CC(C)(C)OC(=O)C(c1ccc(cc1)N)C	0
+FC(F)c1n(C(C(=O)O)C)c2ccc(c(Cl)c2c1)C#N	32
+CC(C)(C)OC(=O)CC(=O)CC(CCCC)C	7399
+CC(C)(C)OC(c1c(C)nc2cc(nn2c1Cl)-c3cc(Cl)ccc3)C(OC)=O	1040
+CC(C)(C)OC(C(=O)OCC)c1sc(cc1Br)Br	1040
+CC(C)(C)OC(C(=O)OC)c1nc(C)sc1	1040
+CC(C)(C)OC(C(=O)OC)c1c(C)nc2cc(-c3ccc4c(c3)CCCC4)nn2c1Cl	1040
+CC(C)(C)OC(CC(c1cc(ccc1)-n2cc(C)nc2C)=O)=O	2403
+CC(C)(C)OC(c1c(OCc2ccccc2)ccc3ccccc13)C(OCC)=O	1040
+CC(C)(C)OC(c1c(C)nc2[nH]c(C)c(C)c2c1-c3ccc(cc3)Cl)C(=O)OC	1040
+CC(C)(C)OC(c1c(C)cc2nc(Br)sc2c1-c3ccc(cc3)Cl)C(OCC)=O	1040
+CC(C)(C)OC(c1c(C)nc2n(nc(c2)-c3ccccc3)c1Cl)C(OC)=O	1040
+CC(C)(C)OC(=O)CC(=O)c1cccc(c1)-c2cc(no2)C	2403
+CC(C)(C)OC(C1COC(=O)N1c2nc(NC(C)c3sc(nc3)-c4ccc(cc4)Cl)ncc2)C	96
+CC(C)(C)OC(C)C1N(c2nc(nc(Cl)c2)NC(c3cc(on3)-c4ccc(cc4)Cl)C)C(=O)OC1	96
+OC(C1N(c2ccnc(F)n2)C(OC1)=O)C	1041
+FC(F)(F)c1cc2scc(N3CCN(CC3)CCC4(CC4)C(=O)O)c2cc1	32
+CC(C)(C)OC(=O)C1(CC1)Cc2cccc(c2Cl)N	196
+CC(C)(C)OC(C1(CC1)Cc2cc(NC(=O)C(C3CCCC3)c4ccc(cc4)C=C)ccc2)=O	443
+CC(C)(C)OC(=O)C1(CC1)Cc2ccc(c(c2)N)F	1197
+CC(C)(C)OC(C1(CC1)Cc2cc(N)ccc2)=O	1197
+C1CCCC1C(c2ccc(cc2)Cl)C(=O)Nc3cc(ccc3)CC4(CC4)C(=O)O	32
+CC(C)(C)OC(C1(CC1)Cc2cc(NC(=O)C(C3CCCC3)c4ccc(cc4)C=O)ccc2)=O	39
+CC(C)(C)OC(C1(CC1)Cc2cc(ccc2)NC(=O)C(c3ccc(cc3)CO)C4CCCC4)=O	59
+FC(F)(F)C(C)C(C(Nc1c(ccc(CC2(CC2)C(=O)OC(C)(C)C)c1)F)=O)N	334
+CC(C)(C)OC(C1(CCOCC1)CN2CCC(CC2)CN)=O	51
+CC(C)(C)OC(C(OC)=O)C=1N(C)C(c2c(cc[nH]2)C=1c3ccc(cc3)C)=O	167
+CC(C)(C)OC(C(=O)OC)C1=C(c2ccc(cc2C(=O)N1C)CN)c3ccc(c(C)c3)C	107
+CC(C)(C)OC(C1=C(c2cc(C)c(cc2)C)c3c(cc(C#N)cc3)C(N1C)=O)C(=O)OC	160
+CC(C)(C)OC(C=1N(C)C(=O)c2n(ccc2C=1c3ccc(cc3)C)Cc4ccc5c(non5)c4)C(=O)O	4
+CC(C)(C)OC(=O)C1CC2(CC2)CNC1C(=O)Nc3ccc(cc3)OCc4c5c(nc(c4)C)cccc5	33
+CC(C)(C)OC(C1CC(CC1CC)CO)=O	95
+CC(C)(C)OC(=O)C1CC(CN)CC1CC	4154
+CC(C)(C)OC(C1CCCC1N(S(=O)(=O)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4)C)=O	693
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)NC(C4N(CC5(CC5)CC4C(=O)O)C)=O	32
+c1ccc(C2C(C(=O)O)C2)cc1C(=O)OC	32
+CC(C)(C)OC(C1C(CC)CC(COS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(=O)C1N(C(CNC(Nc2cc(C(C)C(=O)OCc3ccccc3)ccc2)=O)=O)C(CC1)c4ccccc4	1631
+O=S(=O)(N(C1CCCC1C(O)=O)C)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4	32
+CC(C)(C)OC(C1CCCN2N1C(C(N)CCC2=O)=O)=O	1955
+CC(C)(C)OC(C1N2N(CCC1)C(CCC(NC(OCc3ccccc3)=O)C2=O)=O)=O	1403
+C1CN(CCC1C(=O)O)c2c(cncc2F)NC(c3c4n(cc(F)cn4)nc3N)=O	32
+CC(C)(C)OC(C1C(=O)N(CC)c2cc(OC)ccc2CC1)=O	727
+CC(C)(C)OC(=O)C1C(CN(C(OC(C)(C)C)=O)C1)C=O	378
+CC(C)(C)OC(C1CN(CC)C(=O)N1)=O	7400
+c1ccccc1C2(CCCCC2)CCc3onc(-c4ccc(cc4)CN5CC(C5)C(O)=O)n3	32
+CC(C)(C)OC(C)C1N(c2cc(Cl)nc(Cl)n2)C(=O)OC1	7401
+c1cc(ccc1-c2sc(cn2)C(Nc3nc(N4C(COC4=O)C(O)C)ccn3)C)Cl	1041
+CC(C)(C)OC(C1CCC(c2ccccc2)N1C(=O)CN)=O	84
+CC(C)(C)OC(=O)N1CC(N)CC1C(OC(C)(C)C)=O	18
+C1C(C(=O)O)N(c2ccc(C)c(c2C)COc3cccc4ccc(C)nc34)CC1	32
+CC(C)(C)OC(N1C(C(N=[N+]=[N-])CC1)C(=O)O)=O	32
+c1ccccc1COC(NC2CCC(=O)N3N(C2=O)C(CCC3)C(O)=O)=O	32
+N(C1C(N2C(C(=O)O)=C(CBr)CS(=O)C12)=O)C=O	628
+CC(C)(C)OC(=O)CC1CCC(CC1)C(OCC)=O	774
+C1CCCCC(C1)=C(c2ccc(cc2)O)c3ccc(cc3)C=CC(=O)O	628
+C1CC(CCCC1)=C(c2ccccc2)c3ccc(cc3)C=CC(=O)O	628
+CC(C)(C)OC(=O)C=Cc1ccc(cc1)C=CC(=O)c2cc(c(F)cc2)F	307
+O=Cc1ccc(C=CC(=O)O)nc1	628
+CC(C)(C)OC(CCc1ccncc1)=O	159
+c1ccccc1CS(=O)(=O)n2cc(C=CC(=O)O)cc2	628
+CC(C)CC(C(NC1C(=O)NCCCCCCn2cc(c3c2cccc3)C1)=O)CC(O)=O	32
+CC(C)(C)OC(CC(CC(C)C)C(NC(C(=O)NC)CCc1ccccc1)=O)=O	207
+CC(C)(C)OC(CC(NC(C(C)N1C=CC=CC1=O)=O)C(CF)=O)=O	86
+CC(C)(C)OC(CC(C(=O)O)CC(C)C)=O	4
+c1ccccc1COC(C(Cc2ccccc2)CC(=O)O)=O	32
+CC(C)CC(CC(O)=O)C(NC(CCc1ccccc1)C(=O)NC)=O	32
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2nc(no2)Cc3ccncc3)=O	4155
+c1cnccc1Cc2nc(on2)C(CC(=O)O)CCCC3CCCCC3	32
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2onc(n2)CN(CC(=O)NC)C)=O	9
+CC(C)(C)OC(=O)CC(C(=O)O)CCCC1CCCCC1	2820
+CC(C)(C)OC(=O)CC(COS(=O)(=O)c1ccc(cc1)C)Nc2ccc(C#N)c(Cl)c2	36
+CC(C)(C)OC(CC(N)COCOC)=O	102
+CC(C)(C)OC(=O)CC(C(O)=O)Nc1ccc(C#N)c(c1)Cl	945
+CC(C)(C)OC(CC(NC(c1nn(CC(C)C)c(c1)-c2c(cccc2OC)OC)=O)CC(C)C)=O	81
+O=C(O)CC(c1cccc(F)c1)N	32
+CC(C)(C)OC(=O)CC(N)C(NC)=O	2139
+O=C1N(C(C(=O)NC(C(=O)CF)CC(=O)O)C)C=CC=C1	32
+CC(C)(C)OC(CC(NC(=O)OCC1c2c(-c3ccccc13)cccc2)C(NC)=O)=O	9
+c1(cccc(OC)c1-c2n(CC(C)C)nc(C(NC(CC(C)C)CC(=O)O)=O)c2)OC	32
+O=S(=O)(NC(C=O)CC(O)=O)c1c(OCCc2cccc3ccccc23)cc(NC(=O)C)cc1	32
+CC(C)(C)OC(CC(Nc1cc(Cl)c(cc1)C#N)CNCC)=O	1385
+CC(C)(C)OC(CC(Nc1cc(Cl)c(C#N)cc1)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC)=O	2821
+CC(C)(C)OC(=O)CC(CN(S(=O)(=O)c1c([N+]([O-])=O)cccc1)C)Nc2cc(Cl)c(C#N)cc2	693
+CC(C)(C)Cc1onc(c1)-c2onc(C(CC(=O)O)CCCOCc3ccccc3)c2C4CC4	32
+c1cc(ccc1NC(Cc2ccc(c(c2)OC)NC(N3c4ccccc4CC3)=O)=O)C(CC(O)=O)C	32
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(=O)CC(=O)c3cc(-n4ccnc4SCOC)ccc3)=O	496
+CC(C)(C)OC(=O)CC(Nc1c(cccc1)[N+]([O-])=O)c2ccccc2	60
+CC(C)(C)OC(=O)CC(c1onc(CO)n1)CCCC2CCCCC2	7402
+CC(C)(C)OC(CC(c1onc(n1)C(=O)N2CC(C2)N(C)C)CCCC3CCCCC3)=O	2661
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2nc(no2)C(=O)NC)=O	1506
+C1CN(CCC1)C(c2noc(C(CCCC3CCCCC3)CC(=O)O)n2)=O	32
+c1ccccc1COCCCC(CC(=O)O)c2c(c(-c3cnc(s3)CC(C)C)on2)C4CC4	32
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2nc(CN(CCOC)CCOC)no2)=O	3519
+C1CC(CCC1)CCCC(c2onc(n2)C(=O)N3CC(C3)N(C)C)CC(=O)O	32
+C1CC(CCC1)CCCC(c2onc(n2)C(N3CC(C3)C(OC)=O)=O)CC(=O)O	32
+c1cc(ccc1)C(n2cnc3ccccc23)CC(=O)O	32
+C(CC1(CC2c3ccccc3C1CC2)O)O	2764
+O=S(=O)(N1C(C(NC=C1)=O)CC(=O)O)c2ccc(cc2)C	32
+CC(C)(C)OC(CC1c2n(c3ccc(cc3c2)OCc4ccc(OC(C)C)c(C#N)c4)CC1)=O	139
+CC(C)(C)OC(CC1c2n(c3ccc(OCc4cc(C(F)(F)F)c(CC5CCCCC5)cc4)cc3c2)CC1)=O	139
+FC(F)(F)c1cc(COc2cc3c(n4c(C(CC4)CC(O)=O)c3)cc2)ccc1CC5CCCCC5	32
+CC(C)Oc1ccc(COc2cc3c(n4c(C(CC4)CC(O)=O)c3)cc2)cc1C#N	32
+CC(C)(C)OC(=O)CCC(Nc1ncc(c(O)n1)C(NCc2ccc(cc2Cl)Cl)=O)=O	2004
+CC(C)(C)OC(=O)CCC(=O)Nc1c(C(N)=O)cccn1	142
+CC(C)(C)OC(=O)CCC(=O)NC(Cc1ccc(cc1)Br)CC(=O)OCC	9
+CC(C)(C)OC(=O)CCC(C(=O)N1CCN(CC1)C(=O)OC2CCC2)N	334
+CC(C)(C)OC(=O)CCC(c1ccc(cc1)Oc2ccc(c(c2)CC)OC)=O	46
+FC1(F)C(C(C2C(C)OC(C2(CCC(=O)O)C1)=O)C=Cc3ncc(Br)cc3)C	32
+CC(C)(C)OC(=O)CCCCOc1cnc(nc1)Cl	2448
+c1cc(ccc1)COC(=O)NC(c2oc(cn2)-c3cc4c(cccc4)nc3OC)CCCCCC(=O)O	32
+CC(C)(C)OC(=O)CCCCCOc1ccccc1	116
+O=C(CCCCNC(NCCCCC1C2C(NC(N2)=O)CS1)=O)O	32
+CC(C)(C)OC(CCCOc1c(cccc1)C(OCC)=O)=O	72
+CC(C)(C)OC(=O)CCCOc1cccc(C)c1N(C(c2cc(c(cc2)Cl)Br)=O)C	816
+CCOC(=O)c1c(OCCCC(=O)O)cccc1	32
+c1ccccc1COC(N(CCc2cccc(F)c2)CCC(=O)O)=O	32
+CC(C)(C)OC(=O)CCN1CC(c2ccc(cc2)Oc3ccccc3Cl)S(=O)CC1	7403
+CC(C)(C)OC(CCN1CCC(CC1)CNC2CC2c3scc(C(=O)Nc4sc(nn4)C)c3)=O	318
+C(NC(c1sc(cc1)Cl)=O)CC(=O)O	32
+CC(C)(C)OC(CCN(C(=O)OCc1ccccc1)CCc2cccc(F)c2)=O	66
+CC(C)(C)OC(CCNS(=O)(=O)c1cc2c(ncc(Cl)c2cc1)N=C(N)N)=O	4156
+CC(C)(C)OC(CCNS(=O)(=O)c1cccc(c1)C(O)=O)=O	1
+c1ccc2C(=O)N(C(c2c1)=O)CCOCCOCCOCCC(O)=O	32
+C1CN(CCO1)CCOCCOCCOCCC(O)=O	32
+CC(C)(C)OC(CCOCCOCCOCCOS(=O)(=O)c1ccc(cc1)C)=O	36
+C(C(=O)O)COCCOCCOCCOCC=CCBr	32
+CC(C)(C)OC(CCOCCOCCOCCN1C(c2c(C1=O)cccc2)=O)=O	2140
+C(COCCc1ccc2c(ccs2)c1)C(=O)O	32
+CC(C)(C)OC(=O)CCSCc1cc(ccc1)C(Nc2ccc(cc2C(Nc3nn(cc3)-c4cc(c(cc4)C)C)=O)Cl)=O	50
+c1(CCC(=O)O)[nH]c(C(=O)OC)cc1	32
+CC(C)(C)OC(CCc1c(cc(cc1C)C(=O)N)CC)=O	2822
+CC(C)(C)OC(CCc1c(CC)cc(cc1C)C(=NO)N)=O	253
+CC(C)(C)OC(CCc1c(cc(cc1C)C#N)CC)=O	274
+CC(C)(C)OC(CCc1cc(Cl)c(c(c1)Cl)-c2nc3c([nH]2)ccc(-c4nnc(-c5ccc(cc5)Cl)o4)c3)=O	7404
+c1(cc(cc(Cl)c1-c2nc3c([nH]2)ccc(-c4nnc(-c5ccc(cc5)Cl)o4)c3)CCC(O)=O)Cl	32
+CC(C)(C)OC(CCc1nc(cc(S(=O)(=O)C)c1)C2=NC(c3ccc(Cl)cc3S2)=O)=O	2767
+C(c1ccc(cc1C)C(=O)OC)CC(=O)O	32
+CC(C)(C)OC(=O)CCc1cccc(C=2Sc3c(C(N=2)=O)ccc(c3)OC)n1	2416
+CC(C)(C)OC(=O)CCc1cccc(C=2Sc3c(C(=O)N=2)ccc(c3)C)n1	2416
+C1(c2cc(CCC(=O)O)ccn2)=NC(c3ccc(F)cc3S1)=O	32
+c1(ccnc(c1)C=2Sc3c(cccc3)C(N=2)=O)CCC(=O)O	32
+CC(C)(C)OC(=O)CCc1ccnc(C#N)c1	7405
+O=S(=O)(c1cc(C2=NC(c3ccc(Cl)cc3S2)=O)nc(c1)CCC(=O)O)C	32
+CC(C)(C)OC(=O)CN(CC(O)=O)CC	210
+c1cc(ccc1OCC#Cc2ccc(cc2)Cl)S(=O)(=O)N(CC(=O)O)C	32
+C[Si](C)(C)C#Cc1cc(cc(Cl)c1)S(=O)(=O)N(CC(OC(C)(C)C)=O)c2ccc3c(c4ccccc4n3CC)c2	2823
+CC(C)(C)OC(CN1C(=O)C(=CC=C1C)NS(=O)(=O)Cc2ccccc2)=O	7406
+CC(C)(C)OC(CN1C(=CC=C(N)C1=O)C)=O	1849
+c1ccccc1CS(=O)(=O)NC2=CC=C(N(CC(O)=O)C2=O)C	32
+c1cc(ccc1)C2C(C(N(CC(O)=O)c3c(cccc3)S2)=O)NC(=O)c4[nH]c5c(cccc5)c4	32
+CC(C)(C)OC(=O)CN1CC(c2ccco2)SCC(NC(CCc3ccccc3)C(=O)OCC)C1=O	7407
+Clc1ccc(c(C2=CC(=O)N(CC(=O)O)C=3CCC(=O)C2=3)c1)Br	32
+C(=O)(O)CN1C(=O)N(CC1)c2ncccc2	32
+c12c(cccc1)N(c3ccncn3)C(=O)N2CC(=O)O	32
+CC(C)(C)OC(CN1C(N(c2cc(ncn2)Cl)c3ccccc13)=O)=O	7408
+CC(C)(C)OC(CN1c2ccccc2N(c3ccccn3)C1=O)=O	7409
+CC(C)(C)OC(C(N1C=C(Cl)C(c2cc(Cl)ccc2C#N)=CC1=O)CC3CCCCO3)=O	7410
+C(c1cc(C)c(CNC(N2CC(=O)N(c3cccc(F)c23)CC(O)=O)=O)cc1)(N4c5c(cccc5)CCCC4)=O	32
+CC(C)(C)OC(CN1C(=O)N(c2c1cccc2)c3ncncc3)=O	511
+c1ccccc1COC(=O)NC2=CC=CN(CC(=O)O)C2=O	32
+C1CC(CCN1CC(=O)O)n2c3c(c(N)ncn3)c(n2)-c4ccc(cc4)Oc5ccccc5	32
+c12c(N(C(=O)N1CC(=O)O)c3ccccn3)cccc2	32
+c1cc(ccc1OCCc2c(F)cccc2)C(=O)NCC(O)=O	32
+CC(C)(C)OC(CNC(C=1C(C(C)(C)c2c(F)c(ccc2C=1O)OCC(C)C)=O)=O)=O	8
+CC1(C)c2c(F)c(ccc2C(=C(C(=O)NCC(=O)O)C1=O)O)OCC(C)C	32
+CC(C)(C)OC(CN(S(=O)(=O)c1ccc(cc1)OCC#Cc2ccc(cc2)Cl)C)=O	1387
+CC(C)(C)OC(CN(Cc1c(cccc1)C)S(=O)(=O)c2cc3c(cc2)c(cnc3Cl)Cl)=O	1387
+CC(C)(C)OC(Cn1c2c(nc1CCC)cc(NS(=O)(=O)c3ccc(cc3)F)cc2)=O	4132
+c1(NCC(=O)O)ncc(C=O)s1	32
+CC(C)(C)C(COc1ncnc2oc(c(-c3ccc(cc3)CC)c12)-c4ccccc4)COCC(O)=O	32
+CC(C)(C)OC(=O)COCCCCO	168
+CC(C)(C)c1ccc(cc1)C=2N(C)N(C(C=2C(N(C)CCOCC(OCC)=O)=O)=O)c3ccc(cc3)C#N	7411
+C1CC1N(CCOCC(=O)O)S(=O)(=O)c2c(C)cc(cc2C)OC	32
+CC(C)(C)OC(=O)COCCOCCOCCOS(=O)(=O)c1ccc(cc1)C	36
+CC(C)(C)OC(COCCOCCOCCOCCN)=O	18
+CC(C)(C)OC(COCCOCCOCCOCCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(COCCOCCOCCOCCN=[N+]=[N-])=O	133
+CC(C)(C)OC(COCCOCCOCCO)=O	118
+CC(C)(C)OC(COCCOc1cc2c(-c3ccc(cc3)C)c(CN)c(CC(C)C)nc2cc1)=O	388
+C1CCCCN1S(=O)(=O)c2ccc(Cl)c(c2)COCC(O)=O	32
+c1cc(ccc1COCC(=O)O)Oc2ccc(cc2)C(=O)OC	32
+CC(C)(C)OC(c1oc2c(c(ccc2)O)c1C)=O	7412
+CC(C)(C)OC(COc1ccc(cc1CO)Cl)=O	41
+CC(C)(C)OC(COc1c(cc(cc1Cl)N)Cl)=O	0
+c1c(OCC(=O)O)c(cc(C=CC(OC)=O)c1)OC	32
+CC(C)(C)OC(COc1ccc(CN(S(=O)(=O)c2ccc(cc2)F)C)cc1-c3ccc(c(S(=O)(=O)C)c3)F)=O	92
+CC(C)(C)OC(=O)COc1ccc(cc1C#C[Si](C)(C)C)Cl	263
+CC(C)(C)OC(COc1c2CCCC(NS(=O)(=O)c3cc(Cl)c(F)cc3)c2ccc1)=O	71
+CC(C)(C)OC(COc1c2c(C(CCC2)NS(=O)(=O)c3ccc(cc3)-c4ccccc4)ccc1)=O	71
+CC(C)(C)OC(COc1c2c(ccc1)C(CCC2)NS(=O)(=O)c3cc(Br)c(nc3)Cl)=O	1362
+CC(C)(C)OC(COc1c2CCCC(NS(=O)(=O)c3cc(Cl)c(cc3)Oc4ccc(cc4)Cl)c2ccc1)=O	46
+O=S(=O)(c1cc(Cl)c(cc1)Oc2ccc(cc2)Cl)NC3CCCc4c3cccc4OCC(O)=O	32
+CC(C)(C)OC(COc1cccc2C(CCCCc12)N)=O	474
+c1cc(ccc1S(=O)(=O)NC2CCCCc3c(OCC(=O)O)cccc23)-c4cccc(c4)C(C)C	32
+CC(C)(C)OC(COc1c2c(ccc1)C(CCC2)NS(=O)(=O)c3cc(Br)c(nc3)Oc4c(cc(F)cc4)Cl)=O	136
+CC(C)(C)OC(COc1c2CCCCC(NS(=O)(=O)c3ccc(cc3)-c4cccc(c4)C(C)C)c2ccc1)=O	134
+CC(C)(C)OC(=O)COc1c2c(ncc(N)c2)sc1C(OC)=O	13
+CC(C)(C)OC(=O)COc1cc(C(=O)O)ccc1Cl	1
+CC(C)(C)OC(COc1c(cc(CNC)cc1)-c2cc(c(F)cc2)S(=O)(=O)C)=O	42
+CC(C)(C)OC(COc1ccc(CNC)cc1-c2cc(cc(F)c2)C#N)=O	42
+c1cc(ccc1S(=O)(=O)N(Cc2cc(-c3ccc(c(S(=O)(=O)C)c3)F)c(OCC(=O)O)cc2)C)F	32
+CC(C)(C)OC(COc1ccc(cc1-c2cc(F)cc(C#N)c2)CN(S(=O)(=O)c3ccc(cc3)F)C)=O	92
+CC(C)(C)OC(=O)COc1c(cc(Cl)cc1)C#Cc2ccc3c(S(=O)(=O)C(C)(C)C3O)c2	455
+CC(C)(C)OC(COc1c(C#Cc2cc(S(=O)(=O)C)ccc2O)cc(Cl)cc1)=O	129
+CC(C)(C)OC(COc1c(C#Cc2c(ccc(S(=O)(=O)N)c2)C)cc(Cl)cc1)=O	455
+CC(C)(C)OC(COc1ccc(cc1)CN)=O	817
+CC(C)(C)OC(COc1ccc(cc1)C=NO)=O	135
+c1cc(ccc1)COC(CCc2ccc(cc2)OCC(O)=O)=O	32
+CC(C)(C)OC(COc1ccc(cc1)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(COc1ccc(cc1)CCOc2c(cccc2)C(OC)=O)=O	262
+c1cc(ccc1OCC(=O)O)CCOc2c(cccc2)C(OC)=O	32
+c1cc(ccc1OCC(=O)O)CCSc2c(cccc2)C(OC)=O	32
+CC(C)(C)OC(=O)COc1ccc(cc1)CNC(c2ncnc(c2)C(=O)NCc3ccc(c(C)c3)F)=O	81
+CC(C)(C)OC(COc1ccc(cc1)OCCOCCOCCOCCCCCCCCCCCSC(=O)C)=O	4157
+c1cc(ccc1OCC(O)=O)OCCOCCOCCOCCCCCCCCCCCSC(=O)C	32
+CC(C)(C)OC(COc1ccc(C=O)cc1-c2cc(cc(C#N)c2)F)=O	99
+CC(C)(C)OC(COc1ccc(cc1Br)CNC)=O	42
+CC(C)(C)OC(COc1ccc(cc1Br)CN(S(=O)(=O)c2cc(Cl)c(cc2)F)C)=O	92
+CC(C)(C)OC(COc1ccc(cc1COS(=O)(=O)C)Cl)=O	7
+CC(C)(C)OC(COc1ccc(cc1)CCC(=O)OCc2ccccc2)=O	992
+CC(C)(C)OC(=O)COc1c(c(C=O)ccc1)C	39
+CC(C)(C)OC(COc1c2c(ccc1)C(NS(=O)(=O)c3ccc(cc3)I)CCCC2)=O	71
+CC(C)(C)OC(COc1c2CCCC(N)c2ccc1)=O	474
+CC(C)c1c(c(no1)C(C)C)CC(=O)O	32
+Fc1cc(cc(F)c1CC(O)=O)OCCC2C(C3CCN(CC3)c4ncc(cn4)OCC)C2	32
+c1c(F)c(c(cc1CC(O)=O)F)[N+](=O)[O-]	32
+CC(C)(C)OC(=O)Cc1ccc(Oc2ccc(cc2)C(Nc3ccc(c(Cl)c3)Cl)=O)c(CNS(=O)(=O)C)c1	67
+CC(C)(C)OC(Cc1cc(c(cc1)Oc2ccc(cc2)C(=O)O)CNS(=O)(=O)C)=O	1
+N#Cc1cc(F)c(cc1F)CC(O)=O	32
+CC(C)(C)OC(=O)C(c1cc2c(cc1)ncc(OC)c2)C	643
+c1ccccc1COc2cc(c(CC(=O)O)cc2)C#N	32
+CC(C)(C)OC(Cc1cc(c(cc1)Oc2ccc(cc2)C(=O)OC)CNS(=O)(=O)C)=O	111
+CC(C)(C)OC(Cc1cc2c(ncc(OC)c2)cc1)=O	2824
+c1(c(Cl)ncc(CC(=O)O)c1)C	32
+CC(C)(C)OC(Cn1c2c(cc(cc2)NCc3ccccc3)nc1CCC)=O	208
+CC(C)C(=O)N(Cc1ccccc1)c2ccc3c(nc(n3CC(=O)O)CCC)c2	32
+OC(Cn1nc(C(N)=O)c2ccccc12)=O	32
+CC(C)(C)OC(Cn1c(CCC)nc2cc(N(C(=O)C(C)C)Cc3ccccc3)ccc12)=O	192
+CC(C)(C)OC(Cn1c2ccc(cc2nc1CCC)N(CCCc3ccccc3)S(=O)(=O)c4ccc(cc4)F)=O	1233
+C1CCCCC1c2c3c(cc(cc3)C(OC)=O)n(CC(O)=O)c2Br	32
+c1cc(ccc1S(=O)(=O)N(c2cc3c(cc2)n(CC(=O)O)c(CCC)n3)CCCc4ccccc4)F	32
+C(Cn1c2ccc(O)cc2c(C(=O)C)c1)(=O)O	32
+CC(C)(C)OC(=O)Cn1nc(c2cc(Nc3cccnn3)ccc12)C(=O)N	781
+C(C)OC(c1cnn(c1)CC(=O)O)=O	32
+Oc1nc2c(c3ccsc13)cc(c(F)c2F)OC	7413
+CC(C)(C)OC(N(C)C(C(NO)=N)CCCC(O)C)=O	609
+CC(C)(C)OC(N(C(CO)CC=C)CC=C)=O	95
+c1cc(ccc1C#N)Nc2nc(c(C#CCCCNC(=O)C(C)NC)cn2)NCCC	255
+CC(C)(C)OC(N(C)C(C(=O)N(C(CNS(=O)(=O)C)Cc1ccccc1)C)Cc2ccc3c(cccc3)c2)=O	10
+CC(C)(C)OC(=O)N(C(C(Nc1ccc(OC)c(NS(=O)(=O)c2ccc(-c3ccc(C)o3)cc2Cl)c1)=O)C)C	33
+CC(C)(C)OC(N(C(C(NCCCC#Cc1c(nc(nc1)Nc2ccc(cc2)C#N)NCCC)=O)C)C)=O	9
+CC(C)(C)OC(=O)N(C(C)C(Nc1nc(C#Cc2ccccc2)c(NC(C3CCOCC3)=O)cc1)=O)C	142
+C(C(C)NC)C=Cc1ccc2c(OCO2)c1	2
+CC(C)(C)OC(N(C)C(CN)CC1COCCC1)=O	51
+c1ccccc1C(CCN2c3c(N(c4ccccc4F)S2(=O)=O)cccc3)NC	2
+CC(C)(C)OC(=O)N(C)C(Cc1ccccc1)CN	273
+CC(C)(C)OC(=O)N(CC=C)C(COC(=O)c1ccc(cc1)[N+](=O)[O-])CC=C	279
+CC(C)(C)OC(=O)N(C(CCNC(=O)c1ccccn1)Cc2ccccc2)C	2406
+CC(C)(C)OC(=O)N(C)C(CCOCC)c1ccc(cc1)OCc2ccccc2	21
+c1cc(ccc1)CC(CNS(=O)(=O)C)N(C(=O)C(NC)Cc2cc3c(cccc3)cc2)C	255
+O=S(=O)(N(C)CC(NC)Cc1cccs1)C	2
+CC(C)(C)OC(=O)N(C)C(CNC(=O)c1cccc(C(OCCNC(OC)=O)c2cc(Cl)ccc2)c1)CC3CCCOC3	14
+c1cc(ccc1)CC(CNS(=O)(=O)C)NC	2
+CC(C)(C)OC(N(C)C(Cc1sccc1)CNC)=O	1130
+CC(C)(C)OC(N(C(CNCc1ccccc1)Cc2ccccc2)C)=O	1130
+CC(C)(C)OC(N(C)C(CN(S(=O)(=O)C)C)Cc1cccs1)=O	112
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)NC)=O)O	2
+CC(C)(C)OC(N(C1CCC(c2ccc(c(Cl)c2)Cl)c3ccc(cc13)C(=O)O)C)=O	1
+CC(C)(C)OC(N(C)C1CCC(c2ccc(cc12)C#CCCCOC)c3ccc(c(Cl)c3)Cl)=O	76
+CC(C)(C)OC(N(C1C(O)C(CCC1)Nc2c(cnc(Cl)n2)-c3cn(C)nc3)C)=O	2420
+FC(F)(F)c1ccc(N2CCCC(N(C)C(OC(C)(C)C)=O)C2)c(NC(c3cc(ccc3F)I)=O)c1	50
+CC(C)(C)OC(=O)N(CC(CN(C(OC(C)(C)C)=O)C)Oc1cc(cc(c1)[N+]([O-])=O)F)C	57
+CC(C)(C)OC(=O)N(CC1(c2ccccc2)C(CO)C1)C	118
+C1CN(CCC1CCNC)C(OCc2cc(Cl)cc(Cl)c2)=O	2
+CC(C)(C)OC(=O)N(CCCc1cc2cc(ccc2[nH]1)C(Nc3ccc(c(OC)c3)OC)=O)C	2112
+CNCCCCCC(OC)=O	2
+CC(C)(C)OC(N(CCN1c2c(ccc(c2)N=C(c3cccs3)N)SCC1)C)=O	7414
+CC(C)(C)OC(=O)N(C)CCOc1cccc2n(ccc12)S(=O)(=O)c3c(F)cccc3	1520
+CC(C)(C)OC(=O)N(C)CCON=C(c1[nH]c2c(c1)ccnc2)c3ccccc3	4158
+CC(C)(C)OC(N(C)Cc1cn(S(=O)(=O)c2cnccc2)c(c1)Br)=O	1690
+CC(C)(C)OC(N(C)Cc1cn(S(=O)(=O)c2cnccc2)c(c1)-c3cc(C#N)ccc3F)=O	1072
+CC(C)(C)OC(N(Cc1cn(S(=O)(=O)c2cnccc2)c(-c3cccc(C=O)c3F)c1)C)=O	1072
+CC(C)(C)OC(N(C)Cc1cc([nH]c1)Br)=O	4159
+CC(C)(C)OC(=O)N(c1c(ccc(SC)c1)N)C	0
+O(c1nc(ncc1NC)SC)c2c(cccc2)C	7415
+CC(C)(C)OC(=O)N(c1cc(c(OC(C)=O)c(c1C)C)C)C	385
+CC(C)(C)OC(N(C)c1c(ccc(SC)c1)[N+](=O)[O-])=O	972
+CC(C)(C)OC(N(C1C(O)CNCC1)Cc2cc3c(OCCO3)cn2)=O	62
+CC(C)(C)OC(N(C1C(CNC1)c2ccc(Cl)c(Cl)c2)C)=O	25
+CC(C)(C)OC(N(Cc1c(F)cc(cc1)F)C2CN(Cc3ccccc3)C(C(=O)N4CCN(CC4)c5ccc(cc5)C(C)=O)C2)=O	10
+CC(C)(C)OC(N(C1CC(N(Cc2ccccc2)C1)C(=O)O)Cc3c(F)cc(cc3)F)=O	4
+CC(C)(C)OC(N(Cc1cc(CCN)ccc1Cl)C2CC2)=O	18
+CC(C)(C)OC(N(C1CC1)Cc2cc(CCN=[N+]=[N-])ccc2Cl)=O	254
+CC(C)(C)OC(N(C1CC1)c2n3ncc(C=O)c3nc(c2)-c4ccnc(F)c4)=O	7416
+CC(C)(C)OC(=O)N(C1CC1)c2n3c(nc(c2)SCc4ccccc4)c(cn3)C=O	3767
+C1CC1Nc2n3ncc(c3nc(-c4ccnc(F)c4)c2)C=O	2776
+CC(C)(C)OC(=O)N(C1CCC(CC1)C=O)C	378
+C1CC(CCC1NC)N2CCCC2	2
+CC(C)(C)OC(N(C1CCCC(N)C1O)C)=O	102
+CC(C)(C)OC(N(C)C1CCCC(Nc2c(Br)cnc(Cl)n2)C1O)=O	40
+CC(C)(C)OC(=O)NCCN(C(OC(C)(C)C)=O)C1CCNCC1	62
+CC(C)(C)OC(N(C1CCNCC1)CCP(OCC)(OCC)=O)=O	25
+c1cc(ccc1F)-c2c(c(c(nn2)N3CCC(CC3)NC)C)C	2
+CC(C)(C)OC(N(C1CCN(CC1)c2nnc(c(C)c2C)-c3ccc(cc3)F)C)=O	519
+CC(C)(C)OC(N(C1CCN(C1)c2c3c4cc(ncc4n(c3ncc2Cl)COCC[Si](C)(C)C)C#N)CC)=O	395
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2c3cccc(c3C=CC2=O)OC)Cc4cc5OCCOc5cc4	61
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2C(=O)C=Cc3c([N+](=O)[O-])cccc23)Cc4cc5OCCOc5cc4	61
+CC(C)(C)OC(=O)N(C1CN(C1)c2nc3c(cc([N+]([O-])=O)cn3)n4cnnc24)C	2825
+c1cc(ccc1OC)CN2CCC(C2)Nc3ccc(cn3)C=CC(=O)OCC	2776
+CC(C)(C)OC(=O)N(c1ncc(C=CC(=O)OCC)cc1)C2CCNC2	25
+CC(C)OC(c1c(N2CC(CC2)NCC)nccc1)=O	2
+CC(C)(C)OC(=O)N(CC#C)CCOS(=O)(=O)C	7
+CC(C)(C)OC(N(CC#C)CCO)=O	35
+CC(C)(C)OC(=O)N(CC(N1C(C(OC)=O)CC(N)C1)=O)C	18
+CC(C)(C)OC(=O)N(C)CC(=O)N1C(C(OC)=O)CC(OS(=O)(=O)C)C1	7
+CC(C)(C)OC(N(CCO)CCN1CCSc2cc([N+](=O)[O-])ccc12)=O	15
+CC(C)(C)OC(N(C)CCN1c2c(SCC1)ccc([N+](=O)[O-])c2)=O	15
+CC(C)(C)OC(=O)N(CC(=O)OCC)CCCC(=O)C	97
+C[Si](C)(C)OC(C(N)CN(C(OC(C)(C)C)=O)C)C1CCCCC1	19
+CC(C)(C)OC(N(CC1CC1)C2CC2c3cc(ccc3)C(=O)Nc4cnn(CC)c4)=O	1404
+CC(C)(C)OC(N(CC1CC1)C2CC2c3cc(C(=O)O)ccc3)=O	1
+CC(C)(C)OC(N1c2ccc3cc(C#N)ccc3c2C(CCl)C1)=O	4080
+CC(C)(C)OC(=O)N(C)CCN(c1c(-c2cc(CC)ccc2)c(Cl)ccc1)CCCCOC	713
+CC(C)(C)OC(N(CCCC(C)C)CC1CCCc2c(Oc3ncc(cc3)C(N)=O)cccc12)=O	745
+CC(C)CCCNCC1c2cccc(c2CCC1)Oc3ncc(cc3)C(N)=O	2
+CC(C)(C)OC(N(CCCCN1CCN(CC1)c2cc(nc(n2)C(C)(C)C)C3CCC3)C)=O	15
+CC(C)(C)OC(=O)N(CCCCN(C)C)CCCN	51
+CC(C)(C)OC(N(CCCNC(=O)C(NC(=O)c1cc2ccccc2s1)CC(C)C)C)=O	9
+CC(C)(C)OC(=O)N(CCCNc1c(cnc(Cl)n1)Br)C	40
+CC(C)CC(NC(=O)c1cc2ccccc2s1)C(=O)NCCCNC	2
+CC(C)(C)OC(N(CCCc1ccc2CCCNc2n1)CC(=O)N(C)OC)=O	978
+CC(C)(C)OC(N(CCCc1ccc2CCCNc2n1)CC(=O)OCC)=O	2826
+CC(C)(C)OC(N(CCCc1nc(ccc1)Br)CC=O)=O	378
+CC(C)(C)OC(N(CCCc1nc(ccc1)Br)CC(=O)N(C)OC)=O	978
+CC(C)(C)OC(N(CCN(C)Cc1c2cc(Oc3ccc(cc3)N)ccc2n(C4OCCCC4)n1)C)=O	0
+CC(C)(C)OC(N(CCN(Cc1c(-c2ccc(cc2)N)nn(C3OCCCC3)c1)C)C)=O	0
+N(c1cc2c(cc1)SCCN2CCNC)C(c3sccc3)=N	7417
+CC(C)(C)OC(N(CCN(C(=O)Oc1ccc(cc1)OC)CC)CC)=O	66
+CC(C)(C)OC(N1CCOC(C1)C(C)C)=O	2638
+CC(C)(C)OC(=O)N1CC(c2ccc([N+]([O-])=O)c(C)c2)OCC1	2774
+CC(C)(C)OC(N1CC(OCC1)c2ccc(nc2)Cl)=O	7418
+CC(C)(C)OC(N(CCOC)Cc1n(c(nc1)-c2cc3c(s2)c(Oc4ccc(N)cc4F)ccn3)C)=O	0
+CC(C)(C)OC(N(CCOCCNc1c2c(cccc2)ncc1N)C)=O	13
+CC(C)(C)OC(N(C)CCON)=O	670
+CC(C)Nc1c(ccc(c1)-c2ccc(cc2)CCNCc3ccccc3)C(=O)OC	2
+CC(C)(C)OC(N(CCc1ccc(cc1)-c2cc(CC(C)C)c(cc2)C(O)=O)CC(O)c3cccnc3)=O	1
+c1c(CNCCc2cccc(Cl)c2)cccc1OCCC	2
+CC(C)(C)OC(=O)N(c1ccc(cc1)N)CCc2ccccn2	0
+c1(cc(O)cc(c1)F)-c2c3c(n(CCNCc4ccccc4F)n2)ncnc3N	2
+CC(C)(C)OC(N(CCn1cnc(-c2cc3c(c(Cl)ccn3)s2)c1)CCOC)=O	7419
+c1ccccc1CN2CC(NCc3ccc(F)cc3F)CC2C(=O)N4CCN(CC4)c5ccc(cc5)C(C)=O	2
+C1CC1NCc2c(Cl)ccc(CCNC(=O)OC)c2	2
+CC(C)(C)OC(N(C)Cc1c(ccc(N)c1)N2CCOCC2)=O	0
+CC(C)(C)OC(N(Cc1c(cccc1)F)CCn2c3c(c(N)ncn3)c(n2)I)=O	2827
+CC(C)(C)OC(N(CCn1c2c(c(N)ncn2)c(n1)-c3cc(F)cc(O)c3)Cc4c(cccc4)F)=O	920
+Nc1cccc(Br)c1CNC	2
+c1ccccc1COC(CN2C(C(=NCCc3cc(CNC)ccc3)NC(Cl)=C2C)=O)=O	7420
+O=S(=O)(N(CC(C)C)Cc1cc(cc(Cl)c1)CNCC(C)C)c2cc(cc(c2O)Cl)Cl	2
+CC(C)(C)OC(N(Cc1cc(CN(S(=O)(=O)c2cc(cc(c2O)Cl)Cl)CC(C)C)cc(Cl)c1)CC(C)C)=O	92
+CC(C)(C)OC(N(CCc1cccc(Cl)c1)Cc2cc(OCCC)ccc2)=O	116
+CC(C)(C)OC(N(C1CC1)Cc2cc(ccc2Cl)CCOS(=O)(=O)c3ccc(cc3)C)=O	36
+CC(C)(C)OC(N(Cc1ccc2OCOc2c1)CCCNC)=O	132
+CC(C)(C)OC(N(Cc1cc2c([nH]c(c2)C(=O)OC)nc1)Cc3cc(N)ccc3)=O	0
+CC(C)(C)OC(N(c1ccc(cc1)C2CCCCC2)Cc3ccc(cc3)C(=O)O)=O	1
+CC(C)(C)OC(N(Cc1sc(C(=O)O)cc1)C)=O	1
+CC(C)(C)OC(=O)N(CCCN(C)c1snc(Cl)n1)Cc2ccc3OCOc3c2	4160
+CC(C)CCn1c2ccc(CNC)cc2nc1CN3c4ccccc4C(=O)N(C5CC5)C3=O	2
+CC(C)(C)OC(N(Cc1cc(CCNC2=NC(=C(N(C2=O)CC(OCc3ccccc3)=O)C)Cl)ccc1)C)=O	7421
+c1cc(ccc1N)Oc2ccc(cc2)CCNCc3ccccc3	2
+CC(C)(C)OC(N(Cc1ccccc1)CCc2ccc(cc2)Oc3ccc(cc3)NC(=O)c4ccccc4)=O	50
+CC(C)(C)OC(N(Cc1ccccc1)CCc2ccc(cc2)Oc3ccc(cc3)N)=O	0
+CC(C)(C)OC(=O)N(Cc1c(cccc1)NC(=O)c2ccc(N3CCCC3)cc2Cl)C(C)COS(=O)(=O)C	7
+CC(C)(C)OC(N(Cc1cn(c(-c2ccccc2)c1)S(=O)(=O)c3cccc(C(O)=O)c3)C)=O	1
+CC(C)(C)OC(N(Cc1cn(S(=O)(=O)c2cnccc2)c(c1)-c3cccc(CO)c3F)C)=O	41
+Ic1cc(Cl)ncc1NC	4081
+c1ccccc1CN(Cc2ccccc2)c3ncnc(Nc4c(ccc(N(C)C(=O)OC(C)(C)C)c4)C)c3[N+]([O-])=O	73
+CC(C)(C)OC(N(c1cc(c(cc1)C)N)C)=O	0
+CC(C)(C)OC(N(c1ccc(I)cc1F)C2=C(C=CC(N2C)=O)NS(=O)(=O)C3(CC3)CC=O)=O	465
+CC(C)(C)OC(N(c1ccc(I)cc1F)C=2N(C)C(=O)C=CC=2NS(=O)(=O)C3(CC3)CCO)=O	237
+CC(C)(C)OC(N(c1nc(c2c(cc[nH]2)n1)Oc3c(cc(cc3C)Br)C)c4ccc(cc4)C#N)=O	4161
+CC(C)(C)OC(N(c1ccc(cc1)C2CCCCC2)Cc3ccc(cc3)C(=O)NCC(C(=O)OC)O)=O	14
+CC(C)(C)OC(=O)N(CC(=O)OC(C)(C)C)c1nc(ccc1)C=NO	688
+CC(C)(C)OC(N(c1ccncc1)CCOc2cc(cc(C(O)=O)c2)Cl)=O	1
+CC(C)(C)OC(N(c1ccncc1)CCOc2cc(cc(c2)Cl)C(=O)N(c3cccc(c3)F)CCCn4ncnn4)=O	610
+c1cc(ccn1)NCCOc2cc(cc(Cl)c2)C(=O)N(c3cccc(c3)F)CCCn4ncnn4	396
+CC(C)(C)OC(N(c1cccc(n1)C=O)CC(OC(C)(C)C)=O)=O	178
+CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c2c(F)cc(Oc3c(-c4cc(C=O)ncc4)cc(Cl)cc3)c(F)c2	46
+CC(C)(C)OC(Nc1cc2nc(nn2cc1)N(C)C)=O	2652
+CC(C)(C)OC(Nc1nccc(c1)Oc2cnc([N+](=O)[O-])cc2)=O	4162
+CC(C)(C)OC(=O)Nc1cc(F)c(Cl)nc1	7422
+CC(C)(C)OC(=O)Nc1cc2nc(nn2cc1)-c3cccc(c3)OC	2652
+CC(C)(C)OC(Nc1ccc(cc1)Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC)=O	4163
+CC(C)(C)OC(=O)Nc1cc2c(cc1)C(=C(C(C)(C)O2)F)c3ccc(cc3)F	7423
+CC(C)(C)OC(=O)Nc1nccc(Oc2c(cc(c(F)c2)NC(C3(CC3)C(=O)Nc4ccc(cc4)F)=O)F)c1	4162
+CC(C)(C)OC(=O)Nc1cc(Oc2cncnc2)cc(Cl)c1	4163
+CC(C)(C)OC(N1CCN(CC1C)Cc2ccccc2)=O	15
+CC(C)(C)OC(N1CCN(Cc2ccccc2)CC1CCCC)=O	15
+CC(C)(C)OC(N1C2CC(C1C(N3CCCC3C#N)=O)CC2=O)=O	86
+CC(C)(C)OC(N1CC(CNC(c2cc(ccc2)C#N)=O)CC1C(=O)N3CCSC3)=O	93
+c1c(C(=O)O)cc(Cl)c(F)c1CNC(=O)C2NCC(F)C2	255
+CC(C)(C)OC(N1C(C(=O)NCc2c(c(Cl)cc(c2)C(O)=O)F)CC(C1)F)=O	1
+c1cc(ccc1)C2C(NCCC2)C(Nc3cc4c(cc3)n[nH]c4)=O	255
+CC(C)(C)OC(N1C(C(=O)N2C(C#N)CCC2)C3CC1C(C3)O)=O	10
+CC(C)(C)OC(=O)N1C(CC2(CC2)CC1)(C(O)=O)C	4
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)C)CC1C(=O)OC	7
+O=S(=O)(CC)c1ccc(CNC(=O)c2cnc3C(NCc3c2)C(C)C)nc1	2
+O=S(=O)(CC)c1ccc(cc1)CNC(=O)c2cnc3C(NCc3c2)C(C)C	2
+COc1cc(cc(OC)c1OC)C(=O)N2CC(C(N(C)C)=O)NCC2	255
+CC(C)(C)OC(N1CCC(C1C(=O)NC(Cc2ccc3ccccc3c2)C(=O)OC)N=[N+]=[N-])=O	188
+CC(C)(C)OC(N1C2C(CC1c3n(nnn3)CCC#N)CCCC2)=O	4164
+C1(NCCCC1)C(NCCCCCCCC)=O	255
+CC(C)(C)OC(N1CC(CC1C(=O)Nc2ccc(cc2)N3C(=O)COCC3)N=[N+]=[N-])=O	298
+CC(C)(C)OC(N1C(CN(C(c2cc(OC)c(c(OC)c2)OC)=O)CC1)C(O)=O)=O	4
+CC(C)(C)OC(N1CCN(CC1CO)C(=O)c2cc(OC)c(c(c2)OC)OC)=O	95
+CC(C)(C)OC(N1C(CCC1C(c2ccccc2)O)Cc3ccc(c(Br)c3)NC(Cc4nc(N)sc4)=O)=O	33
+CC1(C)CN(C(=O)CN1)c2c(ccc(F)c2)Cl	255
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3cnc(C(=O)O)cc3)=O	2828
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3cnc(C(NCC)=O)cc3)=O	81
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3cnc(cc3)C(N(C)C)=O)=O	147
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3ccc(nc3)CNCC)=O	729
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3ccc(CN(C)C)nc3)=O	729
+CC(C)(C)OC(N1C(COC1(C)C)CC(CO)C(C)C)=O	118
+CC(C)(C)OC(=O)N1C(C)(C)OCC1CC(C(O)c2ccc3c(c(cn3C)CCCOC)c2)C(C)C	1482
+CC(C)(C)[Si](C)(C)OCC(CC1N(C(OC(C)(C)C)=O)C(C)(C)OC1)CC=C	19
+CC(C)(C)OC(N1C(C)(C)OCC1CC2(CC2)CCOCc3ccccc3)=O	149
+CC(C)(C)OC(=O)NC(CO)CC1(CC1)CCOCc2ccccc2	2777
+CC(C)(C)OC(N1C(CC2(CCCCC2)F)COC1(C)C)=O	1138
+c1cc(ccc1Cl)Nc2ccc(cc2)CCC(N)CO	2122
+c1cc(ccc1)OCC(N)CO	2122
+CC(C)(C)OC(=O)N1C(COC1(C)C)Cc2ccc(cc2)Oc3ccc(cc3)OC	754
+C1CC12CC(C(=O)NC(C)c3ccc(cc3)C(=O)OC)(C)NCC2	255
+CC(C)(C)OC(N1CC(CO)CCC1C)=O	88
+c1c(Br)cc2CC(COc2c1)N(CCCN3C(CNC(C)C3)C)C(Nc4cc(Cl)c(F)cc4)=O	2
+CC(C)(C)OC(N1C(CN(c2nccnc2OCCO)CC1)C)=O	799
+CC(C)(C)OC(=O)N1CC(C)N(c2nc(-c3c(C)cccc3C)nc4CCNCc24)CC1C	25
+CC(C)(C)OC(N1C2CC(CC2)C1C(=O)NCC(c3ccc(cc3)Br)=O)=O	612
+CC(C)(C)OC(=O)N1C2CC2CC1CNCc3ccccc3	110
+CC(C)(C)OC(N1CC(=C)CC1COC(=O)c2ccc(cc2)[N+](=O)[O-])=O	2114
+CCOC(=O)C1(CC(NCC1)=O)CCOC	7424
+FC(F)(F)c1ccc(-c2c(Cl)cnc(CNC(C3CC(F)CN3)=O)c2)cn1	255
+C(NC(=O)C1CC(F)CN1)c2ccnc(Br)c2	255
+CC(C)(C)OC(N1C(CC(NC(=O)c2ccc(s2)Cl)C1)CN=[N+]=[N-])=O	133
+CC(C)(C)OC(N1CC(CC1C(=O)O)Nc2c3c(cccc3)nc(-c4ccccc4OC)n2)=O	4
+CC(C)(C)OC(N1C(CC(O)C1)CO[Si](C)(C)C(C)(C)C)=O	19
+CC(C)(C)OC(N1CC(CC1COS(=O)(=O)c2ccc(cc2)C)O)=O	36
+CC(C)(C)OC(N1CC(NC(=O)c2ccc(s2)Cl)CC1CN)=O	18
+CC(C)(C)OC(N1CC(CC1CN)NS(=O)(=O)c2c(ccc(Br)c2)OC)=O	45
+CC(C)(C)OC(=O)N1CC(CC1C#N)O	143
+CC(C)(C)OC(=O)N1C(CC(C1)OC)CO[Si](C)(C)C(C)(C)C	76
+CC(C)(C)OC(N1CC(N(C(OCc2ccccc2)=O)C(C)C)CCC1CC(OCC)=O)=O	66
+CC(C)(C)OC(N1C(CN2C(=O)c3ccccc3C2=O)CC(N=[N+]=[N-])C1)=O	298
+CC(C)(C)OC(N1C(COc2cc(cnc2)CCc3cc(CO)ccc3)CC1)=O	2829
+C1CC1(S(=O)(=O)NC(=O)C2(CC2C=C)NC(=O)C3CC4(CN3)C5(CCC5)C4(C)C)CCC	255
+CC(C)(C)OC(N1C(C(NC2(C(=O)NS(=O)(=O)C3(CC3)CCC)C(C2)CC)=O)CC4(C(C)(C)C45CCC5)C1)=O	732
+CC(C)(C)OC(N1C(C)(C)OCC1CC2(CC2)CCO)=O	347
+CC(C)(C)OC(N1C(CC2(CC2)C=C)COC1(C)C)=O	7425
+CC(C)(C)OC(NC(CO)CC1(CCCCC1)F)=O	2777
+CC(C)(C)OC(N1CC2C(CC1CNc3ccc(C(F)(F)F)nn3)C2)=O	232
+CC(C)(C)OC(N1CC2C(C2)CC1CNc3cnc(cn3)C(F)(F)F)=O	941
+CC(C)(C)OC(N1C2C(C2)CC1c3[nH]c4c(n3)ccc5cc(ccc45)Br)=O	442
+CC(C)(C)OC(=O)N1C(C)CCC(C(=N)NO)C1	409
+FC(F)(F)c1cnc(nc1)NCC2NCC(C)CC2	2
+CC(C)(C)OC(N1C(CCC(COc2ccc(cc2)C(F)(F)F)C1)C)=O	262
+FC(F)(F)c1ccc(cc1)OCC2CNC(CC2)C	2
+CC(C)(C)OC(=O)N1C(CCC(C1)Oc2nccc(I)c2Cl)C	430
+CC(C)(C)OC(N1C(c2c(CCC1)cc(C(=N)NO)cc2)CCC(OC)=O)=O	181
+CC(C)(C)OC(=O)N1C(CNCc2ccccc2Cl)(CCC1)C	110
+CC(C)(C)OC(N1C(CCC1)(C)C=O)=O	24
+CC(C)(C)OC(=O)N1C(Cn2nc(-c3ccc(cc3)Oc4c(cccc4F)F)c5c2ncnc5N)CCC1	918
+CC(C)(C)OC(=O)N1C(Cn2nc(-c3ccc(cc3)Oc4cc(F)cc(c4)F)c5c2ncnc5N)CCC1	918
+CC(C)(C)OC(=O)N1C(Cn2c3ncnc(N)c3c(-c4c(cc(Oc5ccccc5)cc4)F)n2)CCC1	920
+c1ccccc1C(O)C2NC(Cc3ccc(NC(Cc4nc(N)sc4)=O)c(Br)c3)CC2	2
+CC(C)(C)OC(N1CCCCC1C(=O)NC(C=CC(=O)OC)CC)=O	1475
+CC(C)(C)OC(N1CCCCC1C(=O)NC(Cc2cnc(cc2)Br)C(=O)N)=O	207
+c1ccccc1CCCC(CCCc2ccccc2)NC(=O)C3CCCCN3C(OC(C)(C)C)=O	9
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCCCN3C(=O)C4CCCCN4C(=O)OC(C)(C)C)=O	348
+CC(C)CC(C(=O)NCCC1CSCCN1)NC(=O)c2cc3ccccc3s2	2
+c1ccccc1COC(N2CC(CCn3ncc4ccccc34)NCC2)=O	2
+CC(C)(C)OC(N1CC(N(CCCNC2Cc3c(ccc(Br)c3)OC2)CC1C)C)=O	284
+CC(C)(C)OC(N1C(C(N(C)C)=O)CN(C(=O)c2cc(OC)c(c(c2)OC)OC)CC1)=O	10
+CC(C)(C)OC(N1C(CN(CC1)c2ccc(N)c(n2)C)C)=O	13
+CC(C)(C)OC(N1C(C)(CC)CN(Cc2cc(nc3c2c(C)nn3C4CCCCO4)-c5ccc(cc5)O)C(C)(C)C1)=O	119
+CC(C)(C)OC(N1C(CN(Cc2cnc(N(C)C(c3cnc(cc3)Oc4ccc(cc4)F)=O)cc2)CC1)C)=O	136
+CC(C)(C)OC(N1C(CN(Cc2cnc(cc2)N(C)C(c3ccc(nc3)Cl)=O)CC1)C)=O	7426
+CC(C)(C)OC(=O)N1C(C(O)=O)CN(CC1)c2ncnc3c2cc(c(Cl)c3)Br	4
+CC(C)(C)OC(=O)N1CC(CC1CN2C(=O)c3ccccc3C2=O)N	18
+CC(C)(C)OC(N1C(CC2C(C2)C1)CN)=O	45
+CC(C)(C)OC(N1CC2C(C1CN)CC(C2)C)=O	273
+CC(C)(C)OC(=O)N1CCCC1COS(=O)(=O)C	7
+CC(C)(C)OC(=O)N1CCCC1COS(=O)(=O)c2ccc(cc2)C	36
+CC(C)(C)OC(=O)N1C(CCC1)CN2N=C(Cc3ccc(cc3)Cl)c4c(cccc4)C2=O	7427
+CC(C)(C)OC(N1C(C)(C)OCC1COc2ccccc2)=O	20
+CC(C)(C)OC(N1C(CC(=O)C1)COC(=O)c2ccc(cc2)[N+](=O)[O-])=O	86
+CC(C)(C)OC(N1C(C)(C)OCC1CC(C=O)C(C)C)=O	24
+CC(C)(C)OC(=O)N1C(C)(C)OCC1CC2COCCC2	1117
+CC(C)(C)[Si](C)(C)OCC1C(C)=CC(CN1)N(OCC=C)S(=O)(=O)c2c(cccc2)[N+]([O-])=O	366
+CC(C)(C)OC(=O)N1C(C=C(C(=O)N(C)C)C(N(S(=O)(=O)c2c(cccc2)[N+](=O)[O-])OCC=C)C1)CO	35
+CC(C)(C)OC(N1C(COc2cc(cnc2)CCc3cccc(CNS(=O)(=O)C)c3)CC1)=O	111
+CC(C)(C)OC(N1C(COc2cc(cnc2)CCc3cccc(c3)CN=[N+]=[N-])CC1)=O	1298
+CC(C)(C)OC(N1C(COc2cc(cnc2)CCc3cc(CCl)ccc3)CC1)=O	438
+CC(C)(C)OC(N1C(COc2cc(CCc3cc(ccc3)CN)cnc2)CC1)=O	18
+CC(C)(C)OC(N1C(CCNC(C(NC(=O)c2cc3ccccc3s2)CC(C)C)=O)CSCC1)=O	9
+c1cc(ccc1F)Cn2c3CNC(CN)Cc3c4c2cccc4	2
+CC(C)(C)OC(N1Cc2c(cccc2)CC1C(=O)NCC(c3ccccc3)=O)=O	612
+CC(C)(C)OC(N1C(CO)Cc2c3ccccc3n(Cc4ccc(cc4)F)c2C1)=O	21
+CC(C)(C)OC(N1C2C(OC1=O)CCN(c3ccncc3N)C2)=O	13
+CC(C)(C)OC(=O)N1C(c2ccc(-c3nc(on3)-c4ccc(c(c4)Cl)OC(C)C)cc2CCC1)CCC(=O)OC	3811
+C1CN(CCO1)c2nc3cc(ccc3cc2C4CCCN4)F	2
+CC(C)(C)OC(=O)NC1C(CCCC1)Nc2c(c3CN(C(OC(C)(C)C)=O)C(c3c(Cl)n2)=O)F	70
+c1(C2NCCC2)cc(ccc1F)F	2
+C1COCCN1C2=CC(=O)c3cc(C(=O)OC)cc(C4NCCC4)c3O2	2
+c1(cc(nc(-n2ccnc2)n1)C3NCCC3C(=O)NC)C	2
+CC(C)(C)OC(N1C(c2ccc(c(c2)F)C(O)=O)CCC1)=O	1
+CC(C)(C)OC(=O)N1CCCC1c2ccc(c(c2)F)-c3nc4c(cccc4C(N)=O)[nH]3	1127
+FC(F)(F)c1cc(-n2c(C)nnn2)cc(COC3CCCN(C3c4ccccc4)C(=O)OC(C)(C)C)c1	7428
+c1cc(ccc1F)Cn2nc(C3NCC4CCCN4C3)cc2	2
+C1(NCCC1)c2sc(-c3nc4cccc(C(=O)N)c4[nH]3)cc2	2
+CC(C)Oc1c([N+]([O-])=O)ccc(N2CCC3(CCCN3)C2)c1	2
+CC(C)(C)OC(=O)N1C2(CCN(CC2)C(=O)c3ccc(cc3)-c4cn5c(-c6ccc(cc6)C#N)cnc5cc4)CCCC1	30
+C1C2CC3CC1(CC(C2)C3)NC(=O)N4CC5(C4)NCC5	2
+CC(C)(C)OC(N1C(C(=O)O)C2CC1C(C2)O)=O	3
+c1cc(ccc1)COC(N2CC3NCCC3C2)=O	2
+CC(C)(C)OC(=O)N1C2CC2CC1CO	44
+CC(C)(C)OC(=O)N1C2CCCC2CC1CNC(=O)c3cccc4c3CCO4	14
+CC(C)(C)OC(=O)N1C2CCCC2CC1CNC(=O)c3c(C)nc4n3ccs4	312
+CC(C)(C)OC(=O)N1C2CCCCC2CC1c3[nH]nnn3	2612
+CC(C)(C)OC(N1C2C(n3c(c(C(O)=O)c(I)n3)C1)COC2)=O	6
+CC(C)(C)OC(=O)N1C(=O)OC2CCN(c3c(cncc3)NC(c4nc(ccc4N)-c5c(F)cccc5F)=O)CC12	510
+CC(C)(C)OC(N1Cc2c(C(=O)N)c(nn2C3C1COC3)I)=O	1356
+CC(C)(C)OC(N1C2CC(CC1CC2)c3ccc(cc3)N4CCN(CC4)S(=O)(=O)C)=O	191
+CC(C)(C)OC(N1C(C(N2C(C#N)CCC2)=O)C3CC1C(OCC(N)=O)C3)=O	83
+CC(C)(C)OC(N1C(C(=O)N2C(C#N)CCC2)C3CC1C(C3)O)=O	100
+CC(C)(C)OC(=O)N1C2CC(C1CC2)CN=[N+]=[N-]	133
+CC(C)(C)OC(=O)N1C(CN)C2CCC1C2	273
+C1CC2CC(CC1N2)(Cn3ncnc3)C4CCCCC4	2
+CC(C)(C)OC(N1C2CC(CC1CC2)(c3ccccc3)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(COS(=O)(=O)C)C3CCCCC3	2820
+c1cc(ccc1C2CC3CCC(C2)N3)N4CCN(CC4)S(=O)(=O)C	2
+CC(C)(C)OC(=O)N1C(C2CCC1C2)c3[nH]c(-c4ccc(cc4)Br)cn3	4165
+FC(F)(F)C(NCC1CC2CC2N1C(=O)OC(C)(C)C)=O	659
+o1c(-c2csc(c2)Cl)cc(n1)C3NC4CC4C3	2
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)C#N	881
+C1C2CCC(CC1NC(CCCc3cnn[nH]3)=O)N2	2
+CC(C)(C)OC(=O)N1C2CNCC1CC2	25
+CC(C)(C)OC(=O)N1C(CC2CCCC12)CNCc3ccccc3	110
+CC(C)(C)OC(N1CC2CC1CN2c3nc(cc4nccn34)-c5cc(NCc6c7c(cccc7)ccc6)ncc5)=O	70
+CC(C)(C)OC(=O)N1CCC(=C(C(OC)=O)C1)c2ccc(cc2)OCc3onc(-c4c(F)ccc(F)c4Cl)c3	20
+c1cc2CCN(CC(CN3CCNCC3=O)O)Cc2cc1	255
+CC(C)(C)OC(N1CC(=O)N(CC(O)CN2Cc3c(cccc3)CC2)CC1)=O	170
+CC(C)(C)OC(N1CCN(Cc2c(ccc(OS(=O)(=O)C)c2)Cl)C(C1)=O)=O	806
+CC(C)(C)OC(=O)N1CCN(C(=O)C1)c2nc3c(cc2)cc(C#N)cc3	7429
+CC(C)(C)OC(=O)N1CCN(c2c3c(n(c2)CC)nc(cc3)F)C(C1)=O	7430
+CC(C)(C)OC(=O)N1CC(CCC1)C(=N)NO	409
+CC(C)(C)OC(=O)N1CC(C=2CC(=O)n3c(ccn3)N=2)CC1	1085
+CC(C)(C)OC(=O)N1CC(CC(C#N)C1)N(CC(C)C)C(c2nc3ccccc3n2CCCCOC)=O	143
+c1ccccc1COC(N2C(C(N3CCOCC3)=O)CNCC2)=O	2
+c1cc(ccc1)CNC(C2CNCC2CN(C(c3cc(c(cc3)OC)OCCCOC)=O)C(C)C)=O	2
+CC(C)(C)OC(N1CC(CCC1C)c2nc3c(ccc(Cl)c3)o2)=O	2037
+CC(C)(C)OC(N1CCC(C(C1)C(OC)=O)CCC(c2c(F)cnc3ccc(OC)cc23)=O)=O	167
+CC(C)(C)OC(N1CC(C(Nc2ccc(cc2)Cl)=O)CC(N=[N+]=[N-])C1)=O	33
+CC(C)(C)OC(N1CC(CO)(Cc2ccccc2F)CCC1)=O	95
+CC(C)(C)OC(=O)N1CC(Cc2ccccc2)C(CO)(F)C1	44
+c1ccccc1COC(C2CNCCO2)=O	2
+CC(C)(C)OC(C1CN(C(=O)OC(C)(C)C)CC1C(=O)N(C)OC)=O	1885
+CC(C)(C)OC(N1CCC(C(C1)OC)N)=O	316
+CC(C)(C)OC(=O)N1CC(N(C)C)C(NC(=O)c2nc(c(Cl)[nH]2)CC)CC1	855
+CC(C)(C)OC(=O)N1CC(C(CC1)NC(OCc2ccccc2)=O)C(O)=O	3
+CC(C)(C)OC(N1CCC(C(OCc2cc(OCc3ccccc3)c4ccccc4c2)C1)c5cccc(c5)C(=O)OC)=O	555
+CC(C)(C)OC(=O)N1CCC(C(C1)COC)c2ccc(cc2)Cl	21
+CC(C)(C)OC(=O)N1CC(C(c2ccc(cc2)OCCCOCc3c(F)cccc3)CC1)=O	8
+CC(C)(C)OC(N1CC(OCc2cc(OCc3ccccc3)c4ccccc4c2)C(CC1)c5cccc(CF)c5)=O	2672
+CC(C)NCC1C(CNC1)CN(C(c2ccc(c(c2)OCCCOC)OC)=O)C(C)C	2
+CC(C)(C)OC(N1CC(CNC(=O)C(CC(C)C)NC(c2cc3ccccc3s2)=O)C(O)C1)=O	1816
+CC(C)(C)OC(N1CC(C(CNC(C(CC(C)C)N)=O)C1)O)=O	334
+c1(ccc2c(n1)NC(=O)CS2)CN(C(=O)C3CNCCO3)C	2
+CC(C)(C)OC(N1CCC(C(=O)C)C1)=O	2830
+CC(C)(C)OC(N1CCC(C(=O)C)C1)=O	591
+CC(C)(C)OC(=O)N1CC(CC1)C(c2ncc(Br)cc2)=O	7431
+c1cc(ccc1NC(=O)C2CNCC(C2)N=[N+]=[N-])Cl	2
+CC(C)(C)OC(N1CC(N(CC1)C)c2nc(no2)-c3ccc(cc3)F)=O	859
+CC(C)(C)OC(N1CC(c2cc(ccc2C1)OC)C(O)=O)=O	4
+CC(C)(C)OC(=O)N1CCC(C(C1)CN)OC	18
+CC(C)(C)OC(=O)N1CC(C(C(=O)OCC)C1)C=O	24
+CC(C)(C)OC(N1CC(C(OCC1)c2cc(c(Cl)cc2)Cl)CC#N)=O	300
+CC(C)(C)OC(=O)N1CCOC(c2cc(Cl)c(cc2)Cl)C(CN=[N+]=[N-])C1	133
+CC(C)(C)OC(N1CC(C(OCC1)c2ccc(Cl)c(c2)Cl)CC(N)=NO)=O	609
+CC(C)(C)OC(N1CC(C(OCC1)c2ccc(Cl)c(c2)Cl)Cc3nc(C)on3)=O	7432
+CC(C)(C)OC(N1CC(c2ccc(c(Cl)c2)Cl)C(C(O)=O)C1)=O	4
+CC(C)(C)OC(N1CC(C(c2ccc(cc2)OCC(OCC)=O)CC1)OCc3ccc4c(cccc4)c3)=O	52
+CC(C)(C)OC(=O)N1CC(C)(C)NCC1C(C)C	25
+CC(C)(C)OC(N1C(CN(Cc2c3c(C)nn(C4CCCCO4)c3nc(c2)Br)C(C)(C)C1)(C)CC)=O	2141
+CC(C)(C)OC(N1CC(C)CCC1CNc2nc(C)cc(C)n2)=O	96
+FC(F)(F)c1cc(NCC2CCC(CN2C(OC(C)(C)C)=O)C)ncc1	182
+CC(C)(C)OC(N1CC(CCC1CNc2ccc(cn2)C(F)(F)F)C)=O	70
+CC(C)(C)OC(N1C(CCC(C1)C)CNc2ncc(cn2)C(F)(F)F)=O	96
+c1(nc(nc(C)c1)NCC2CCC(CN2)C)C	2
+CC(C)(C)OC(N1CC(C)N(CC1)c2ccc(nc2)N)=O	161
+CC(C)(C)OC(N1CC(C)N(c2cnc(cc2)NC3=CC(=CN(C3=O)C)Br)CC1)=O	523
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)N3C(CNCC3)C)Br	2
+N12C(CNCc3c1c(ccc3)C(CF)CC2)C	2
+CC(C)(C)OC(N1CC(C)N2CCC(CF)c3cccc(c23)C1)=O	2831
+CC(C)(C)OC(=O)N1CC(C1)(CNC(=O)c2c(ccc(F)c2Cl)F)C3CCCCN3C	93
+C1C(CN1)(c2cc(cc(F)c2)Cl)O	2
+CC(C)(C)OC(N1CC(C1)(O)c2cc(cc(F)c2)Cl)=O	251
+O=S(=O)(NC(C1CNC1)=O)Cc2ccccc2	2
+CC(C)(C)OC(N1CC(C1)c2[nH]c3c(cc(C)cc3)n2)=O	791
+CC(C)(C)OC(N1CC(C1)c2[nH]c3cc(ccc3n2)Cl)=O	791
+CC(C)(C)OC(N1CC(C1)C(c2ccccc2OC)=O)=O	832
+CC(C)(C)OC(=O)N1CC(C1)CO	21
+CC(C)(C)OC(N1CC(C1)C(N(OC)C)=O)=O	164
+CC(C)(C)OC(=O)N1CC(C1)c2nc(no2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C	859
+CC(C)(C)OC(=O)N1CC(C1)Cc2c(OC)cccc2	165
+C1CN(CCC1C2CNC2)C(=O)c3sccn3	2
+CC(C)(C)OC(N1CC(C1)CCO)=O	21
+CC(C)(C)OC(=O)N1CC(C1)Cc2onc(-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)n2	859
+CC(C)(C)OC(N1CC(C1)CCOc2cccc(Oc3ccc(cc3)Cl)c2)=O	20
+CC(C)(C)OC(N1CC(C1)Cn2nccc2)=O	1593
+CC(C)(C)OC(=O)N1CC(C1)c2c(c(C(C)=O)cc(c2C)Cl)OC	2832
+CC(C)(C)OC(=O)N1CC(C1)c2c(c(cc(C(=O)C)c2OC)Cl)F	2832
+CC(C)(C)OC(=O)N1CC(C1)c2cc(c(cc2)OCc3ccc(cc3)C4CC4)OC	2832
+CC(C)(C)OC(N1CC(C1)Nc2cncc(N3C(c4c(cc(cc4)Cl)C3(C)C)=O)c2)=O	7433
+CC(C)(C)OC(=O)N1CC(C1)NC(Nc2cc(F)c(cc2)Oc3c4c(ncc3)cc(s4)-c5ccc(cn5)C6OCCO6)=O	1337
+CC(C)(C)OC(N1CC(C1)NC(CNC(=O)OCc2ccccc2)=O)=O	9
+C1CN(CCN1C2CNC2)C(c3sccn3)=O	2
+CC(C)(C)OC(N1CC(C1)NC(=O)CNc2c3cc(C(F)(F)F)cnc3ccn2)=O	7434
+FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C(OC(C)(C)C)=O)c2c1	2801
+CC(C)(C)OC(N1CC(C1)NC(=O)CN)=O	334
+CC(C)(C)OC(N1CC(C1)NC2CNCC2)=O	62
+C1C(CN1)NC2CN(CC2)C(=O)c3ccccc3	2
+CC(C)(C)OC(N1CC(C1)NC2CCN(C(c3ccccc3)=O)C2)=O	30
+CC(C)(C)OC(=O)N1CC(C1)n2c(ccn2)-c3c(ccc(c3)Cl)O	2008
+CC(C)(C)OC(=O)N1CC(C1)n2nccc2-c3cc(ccc3O)C(F)(F)F	2008
+CC1(C)c2c(C(N1c3cc(NC4CNC4)cnc3)=O)ccc(Cl)c2	2
+CC(C)(C)OC(N1CC(C1)Oc2n(-c3ccnc(N)n3)c4c(n2)ccc(Br)c4)=O	7435
+FC(F)(F)c1c(cccc1)COC2CN(C2)C(=O)OC(C)(C)C	149
+CC(C)(C)OC(N1CC(C1)Oc2c(C=O)c(cc(Cl)c2)F)=O	57
+CC(C)(C)OC(N1CC(C1)OCC2CCN(CC2)c3ncc(cn3)CC)=O	967
+C1C(CN1)OCCN2C(C(=Cc3cnc(NCC)nc23)c4ccc(-c5nc(C)cnc5)cc4Cl)=O	2
+CC(C)(C)OC(N1CC(C1)OCCN2C(C(=Cc3cnc(NCC)nc23)c4ccc(-c5nc(C)cnc5)cc4Cl)=O)=O	306
+CC(C)(C)OC(N1CC(C1)OCCN2c3nc(ncc3C=C(C2=O)c4ccc(-c5nc(C)cnc5)cc4Cl)SC)=O	1597
+CC(C)(C)OC(N1CC(C1)OCCN2C(C(=Cc3cnc(S(=O)C)nc23)c4ccc(-c5nc(C)cnc5)cc4Cl)=O)=O	172
+CC(C)(C)OC(N1CC(C1)OCCN2C(C(Br)=Cc3cnc(SC)nc23)=O)=O	7436
+CC(C)(C)OC(N1CC(C1)Oc2cc3c(OCC4=NNC(=O)C(C)N34)cc2C(C)C)=O	1382
+CC(C)(C)OC(=O)N1CC(C1)Oc2cc(cc(c2O)F)Cl	7437
+CC(C)(C)OC(N1CC(C1)Oc2c(ccc(c2)Cl)OCC(=O)OCC)=O	7438
+CC(C)(C)OC(N1CC(C1)Oc2cc(Cl)ccc2OCC(=O)O)=O	3
+CC(C)(C)OC(N1CC(C1)Oc2c(ncnc2-c3c(c(cc(F)c3)NC(c4c(cc(C5CC5)cc4)F)=O)C)N)=O	379
+CC(C)(C)OC(N1CC(C1)Oc2c(OCc3nc(C)no3)ccc(Cl)c2)=O	1166
+CC(C)(CN1C(c2[nH]c3ccccc3c2CC1C)c4c(cc(cc4F)OC5CNC5)F)F	2
+CC(C)(C)OC(N1CC(C1)Oc2cc(F)c(c(c2)F)C3c4[nH]c5ccccc5c4CC(N3CC(C)(C)F)C)=O	7439
+C1CN(CCO1)Cc2ccc(cc2OC)OC3CNC3	2
+CC(C)(C)OC(N1CC(C1)Oc2c(C(C)=C)cc3c(N4C(C)C(=O)NN=C4CO3)c2)=O	4166
+CC(C)(C)OC(N1CC(C1)Oc2cc3c(cc2)OCC=4N3C(C)C(=O)NN=4)=O	2833
+CC(C)(C)OC(N1CC(C1)Oc2cc3c(OCC(=S)N3C(C)C(OCC)=O)cc2)=O	199
+C1NCC1Oc2nc3c(n2-c4ccnc(N)n4)cc(Br)cc3	2
+C1NCC1c2[nH]c3c(cc(C)cc3)n2	2
+C1C(CN1)c2[nH]c3c(cc(Cl)cc3)n2	2
+CC(C)n1ncnc1-c2sc3c(-c4c(cc(C5CNC5)cc4)OCC3)n2	2
+CC(C)(C)OC(N1CC(C1)c2ccc(c(F)c2)N(C)c3ncc4c(n(C)cn4)c3)=O	1121
+C1C(CN1)c2ccc(c(c2)F)N(C)c3ncc4c(n(C)cn4)c3	2
+CC(C)(C)OC(N1CC(C1)c2ccc(Nc3ncc4c(n(cn4)C)c3)c(c2)F)=O	1504
+c1cc(ccc1-c2ncn(C3CNC3)c2-c4nc(ncc4)N)F	2
+CC(C)(C)OC(N1CC(C1)n2c3nccc(NS(=O)(=O)c4ccccc4)c3c(-c5cc6c(CCN6C)cc5F)c2)=O	7440
+c1cc(ccc1)S(=O)(=O)Nc2ccnc3n(C4CNC4)cc(-c5cc6c(CCN6C)cc5F)c23	2
+CC(C)(C)OC(N1CC(C1)n2c3c(c(c2)-c4c(cc5CCN(c5c4)C)F)c(Br)ccn3)=O	4167
+CC(C)(C)OC(=O)N1CC(N(OCC=C)S(=O)(=O)c2c(cccc2)[N+]([O-])=O)C=C(C1C(=O)N)C	7441
+CC(C)(C)OC(=O)N1CC(C(CNC(C)C)C1)Cc2ccccc2	110
+CC(C)(C)OC(=O)N1CCC(C1)C=C	2142
+CC(C)(C)OC(N1CC(C(=O)O)CC(NC(OCc2ccccc2)=O)C1)=O	4
+CC(C)(C)OC(=O)N1CC(N2C(c3c(-c4c(Cl)cccc24)noc3C)=O)CC(C(O)=O)C1	3
+CC(C)(C)OC(N1CC(Nc2ccc(cc2)C=3C(=O)N4C=CC=CC4=NC=3NC(C)C)CC1)=O	205
+CC(C)(C)OC(N1CCC(Nc2nc3c(sc4ccccc34)c(N(C)C)n2)C1)=O	798
+CC(C)(C)OC(N1CCC(NC(=O)Nc2ccc3c(n(-c4ccccc4)nc3SC)c2)C1)=O	675
+CC(C)(C)OC(N1CCC(Nc2c3c(cccc3cc(n2)C#N)Cl)C1)=O	70
+CC(C)(C)OC(N1CCC(Nc2c3cc(Cl)ccc3cc(C#N)n2)C1)=O	70
+CC(C)(C)OC(=O)N1CCC(C1)NCc2c(Cl)cc(cc2)Cl	42
+CC(C)(C)OC(=O)N1CC(Nc2nc(C#N)cc3ccccc23)CC1	70
+CC(C)(C)OC(N1CCC(NC(OCc2ccccc2)=O)C1)=O	2834
+CC(C)(C)OC(=O)N1CC(CC1)Nc2c(cc(S(=O)(=O)N)cc2)[N+]([O-])=O	60
+CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1	71
+CC(C)(C)OC(N1CC(CC1)Nc2c3cc(ccc3cc(Cl)n2)F)=O	70
+CC(C)(C)OC(=O)N1CCC(C1)Nc2cc(Cl)c(cc2)F	250
+CC(C)(C)OC(=O)N1CCC(C1)Nc2cc(c(C#N)cc2)Cl	60
+CC(C)(C)OC(N1CC(CC1)NC(=O)c2cc3nccc(c3s2)Oc4ccc([N+]([O-])=O)cc4F)=O	1256
+CC(C)(C)OC(=O)N1CCC(C1)NC(=O)c2ccc(cc2)-n3c4ccccc4nc3C	14
+CC(C)(C)OC(N1CC(Nc2ccc(cc2)C3=C(OC)N=C4C=CC=CN4C3=O)CC1)=O	205
+CC(C)(C)OC(=O)N1CC(NCc2ccc(cc2)Cl)CC1	42
+CC(C)(C)OC(=O)N1CC(CC1)Nc2c3c(n(CC)c(C(=O)OC)n3)ncn2	516
+CC(C)(C)OC(N1CCC(C1)Nc2cc(-c3c(cccc3)O)nc4c2cccc4)=O	105
+CC(C)(C)OC(N1CC(NC(=O)COCCN(C)C)CC1)=O	28
+CC(C)(C)OC(N1CC(CC1)NC(=O)c2cc3nccc(c3s2)Oc4ccc(N)cc4F)=O	0
+CC(C)(C)OC(N1CCC(Nc2c3c(ccc(c3)F)cc(C#N)n2)C1)=O	577
+CC(C)(C)OC(=O)N1CCC(Oc2c3c(cccc3Cl)cc(n2)C#N)C1	91
+CC(C)(C)OC(N1CCC(OS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(N1CC(CC1)OCc2ccccc2)=O	149
+c1ccccc1COC2CNCC2	2
+CC(C)(C)OC(N1CCC(n2c(c(-c3ccc(cc3)Oc4ccccc4)c5c(N)ncnc25)C(=O)N)C1)=O	2835
+CC(C)(C)OC(N1C(C(Nc2ccc(cc2)N3C(=O)COCC3)=O)CC(OS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(=O)N1CC(CC1C(N(C)C)=O)Nc2nc(nc3ccccc23)-c4ccccc4OC	10
+CC(C)(C)OC(=O)N1CC(CC1C(OC)=O)c2ccccc2	325
+CC(C)(C)OC(=O)N1C(C(NC2(CC2C=C)C(=O)OCC)=O)CC(OC(=O)N3Cc4c(F)cccc4C3)C1	1468
+CC(C)(C)OC(=O)N1CC(CC1C(O)=O)OC	4
+CC(C)(C)OC(=O)N1C(CC(Nc2ccc(cc2[N+](=O)[O-])Br)C1)CO	60
+CC(C)(C)OC(N1CC(CC1CN=[N+]=[N-])O)=O	254
+CC(C)(C)[Si](C)(C)OC1CNC(C1)COc2c3c(ncnc3Nc4cc(c(F)cc4)Cl)cc(OC)c2	2
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)C)CC1Cc2c3ccccc3[nH]c2C	7
+Clc1cccc(C(C2CCCNC2)(O)CCCCOC)c1	2
+CC(C)(C)OC(N1CCCC(C(c2cccc(Cl)c2)(OC)CCCCOC)C1)=O	76
+CC(C)(C)OC(N1CC(Cn2c(nc3c2nc(nc3)NCc4ccc(F)c(F)c4)-c5c(Cl)cccc5F)CCC1)=O	4168
+CC(C)(C)OC(=O)N1CC(CCC1)CI	572
+CC(C)(C)OC(N1CC(CCC1)NC(c2ccc(cc2)Nc3nc(c(F)cn3)-c4n(C(C)C)c(nc4)C)=O)=O	4169
+c1cc(ccc1Nc2nc(c(F)cn2)-c3n(C(C)C)c(nc3)C)C(=O)NC4CCCNC4	2
+CC(C)(C)OC(N1CCCC(C1)c2c3c(NC(=O)NC3=O)nc(-c4c(cccc4)OCc5ccccc5)c2)=O	7442
+CC(C)(C)OC(N1CC(n2nc(-c3ccc(cc3)Oc4c(ccc(F)c4)F)c5c(N)ncnc25)CCC1)=O	918
+CC(C)(C)OC(N1CC(n2nc(-c3ccc(cc3)Oc4cccc(F)c4)c5c(N)ncnc25)CCC1)=O	918
+CC(C)(C)OC(=O)N1CCCC(n2nc(-c3ccc(cc3)Oc4c(cccc4)F)c5c(ncnc25)N)C1	920
+Clc1ccc2c(nc(C3CNC(C)CC3)o2)c1	2
+FC(F)(F)c1ccc(NCC2CCC(CN2)C)nc1	2
+CC(C)(C)OC(N1CC(C(OC)CC1)CN=[N+]=[N-])=O	76
+CC(C)CC(C(NCC1C(O)CNC1)=O)NC(c2cc3ccccc3s2)=O	2
+CC(C)(C)OC(=O)N1CC(CC1C(N2CCSC2)=O)CNC(=O)c3cccc(-c4nnn[nH]4)c3	424
+FC(F)(F)C(=O)N(CC1CN(C(OC(C)(C)C)=O)CCC1)Cc2ncc3c(c2)OCCO3	7443
+CC(C)(C)OC(N1CCCC(Cc2c(F)cccc2)(C1)COC)=O	76
+CC(C)(C)OC(N1C(CCC(C1)COS(=O)(=O)C)C)=O	7
+CC(C)(C)OC(=O)N1CC(C(O)=O)CCC1C	1405
+CC(C)(C)OC(=O)N1c2c(ccc(c2)[N+](=O)[O-])C(CCl)C1	1507
+CC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)C(CO)C1	682
+CC(C)(C)OC(=O)N1CC(CSCc2ccccc2)CC1	786
+CC(C)(C)OC(=O)N1CCC(Cn2c(C)c(nc2-c3ccc(cc3)Br)C)C1	1193
+CC(C)(C)OC(=O)N1CC(CC1)CSCc2ccc(cc2)F	786
+CC(C)(C)OC(N1CCOC(CN=[N+]=[N-])C1)=O	133
+C1CC(F)(COc2c3cccnc3cc(-c4cnn(CC)c4)n2)CNC1	2
+c1(c(c(Cl)ccc1)-c2n(c3c(cnc(n3)NCc4cc(F)c(cc4)F)n2)CC5CNCCC5)F	2
+CC(C)(C)OC(N1CC(OCC1)Cn2ncc(c2)Nc3ncnc(Cl)n3)=O	4170
+CC(C)(C)OC(=O)N1CC(C(F)(C1)CN(C(C2CC(Nc3c2cccc3)=O)=O)C4CC4)Cc5ccccc5	10
+CC(C)(C)OC(N1CCC(C(F)(F)C1)CNc2nc(ncc2C=O)SC)=O	40
+CC(C)(C)OC(N1CC(F)(F)C(=O)CC1)=O	86
+CC(C)(C)OC(=O)N1CC(F)(F)CC1C=CC(OCC)=O	1667
+CC(C)(C)OC(N1CCC(C(C1)F)OS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1CCC(OC(=O)c2ccccc2)C(F)C1)=O	279
+CC(C)(C)OC(N1C2(COCCOC2)C(=O)N(CC(=O)O)C(c3cc(F)ccc3)C1)=O	4
+CC(C)(C)OC(=O)N1CC(CCC1CC(=O)O)N(C(OCc2ccccc2)=O)C(C)C	3
+CN(c1nc(cc2c1cccc2)C=3NC(=O)NN=3)C4CCNC4	2
+CC(C)(C)OC(=O)N1CC(N(C2CCC(C)(C)CC2)C(C)=O)CC1C(=O)O	4
+CC(C)(C)OC(=O)N1Cc2n(CC1)ccc2C#N	7444
+CC(C)(C)OC(=O)N1CC(C(=O)O)CC(N(C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C)C)C1	4
+CC(C)(C)OC(=O)N1CC(C(OC)=O)N(C(=O)C=Cc2cccc(c2)Cl)CC1	325
+FC(F)(F)C(NCC1N(CCOCCO)CCN(C1)C(OC(C)(C)C)=O)=O	659
+c1ccccc1CN2CCNCC2C	2
+CC(C)(C)OC(N1CC2(CC2)N(Cc3ccccc3)CCC1)=O	4101
+CC(C)(C)OC(N1C(C)CN(C(C)C1)CCCN(C(=O)Nc2cc(Cl)c(cc2)F)C3COc4c(cc(Br)cc4)C3)=O	326
+c1cc(ccc1CN2CCNCC2C)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5	2
+CC(C)(C)OC(=O)N1C(CN(C(C1)CCl)Cc2ccccc2)C	1507
+CC(C)(C)OC(N1CCCC(C1)Nc2cc(nc(SC)n2)OC)=O	40
+CC(C)(C)OC(=O)N1CC(Nc2c3c(ccs3)ncc2[N+](=O)[O-])CCC1	1972
+CC(C)(C)OC(=O)N1CC(Nc2c(F)cnc(Cl)n2)CCC1	40
+CC(C)(C)OC(=O)N1CC(Nc2c3c(sc(Br)c3)c(cn2)C#N)CCC1	2500
+CC(C)(C)OC(N1CCCC(NC(c2c(N)ncc(Br)n2)=O)C1)=O	312
+CC(C)(C)OC(N1CCCC(Nc2c(F)cnc(-c3c4cc(cnc4n(S(=O)(=O)c5ccc(cc5)C)c3)Cl)n2)C1)=O	7445
+CC(C)(C)OC(N1CCCC(Nc2nc3ccc(cc3s2)Oc4ccnc(Cl)c4)C1)=O	2032
+CC(C)(C)OC(N1CCCC(C1)Nc2nc(nc(c2)C)N=C(Nc3ccc(c(c3)Cl)Cl)N)=O	7446
+CC(C)(C)OC(=O)N1CC(CCC1)Nc2c3nc(-c4c(cccc4)Cl)n(c3ncn2)-c5ccc(cc5)Cl	516
+CC(C)(C)OC(N1CC(CCC1)NC(=O)c2ccc(cc2)I)=O	93
+CC(C)(C)OC(N1CCCC(Nc2nc(-c3cnc4ccc(cn34)C#N)ncc2)C1)=O	7447
+CC(C)(C)OC(=O)N1CC(CC(CN=[N+]=[N-])C1)N2C(c3c(noc3C)-c4c(Cl)cccc24)=O	133
+CC(C)(C)OC(=O)N1CC(NC(OCc2ccccc2)=O)C(C(Nc3ccccc3)=O)C1	33
+CC(C)(C)OC(N1CC(NC(=O)c2ccc(s2)Cl)CC1CNC(=O)C)=O	68
+CC(C)(C)OC(=O)N1CC(NC(=O)OCc2ccccc2)C(CC1)N	18
+CC(C)(C)OC(=O)N1CCN(C(c2ccc(cc2)Cl)=O)C(C(=O)OC)C1	4171
+CC(C)(C)OC(N1CCC(C(O)C1)N)=O	18
+CC(C)(C)OC(=O)N1CC(OC)C(CC1)N=[N+]=[N-]	76
+CC(C)(C)OC(=O)N1CC(O)CC(C1)C(OC)=O	167
+CC(C)(C)OC(=O)C1N(CC(OS(=O)(=O)C)C1)C(=O)OC(C)(C)C	7
+FC(F)c1cc(Nc2cc(C)cc(-c3nnn(CC4OCCNC4)c3)n2)ncc1	2
+CC(C)(C)OC(N1CC(Cn2ncc(N)c2)OCC1)=O	209
+CC(C)(C)OC(=O)N1CC(Cn2ncc(Nc3ncnc(N4CCN(CC4)c5ncc(cn5)C#CC6CC6)n3)c2)OCC1	436
+c1cc(ccc1)C(c2ccccc2)=Nc3ncc(cc3)C4CN(C(=O)OC(C)(C)C)CCO4	4156
+CC(C)(C)OC(N1CCOC(c2cnc(Nc3ncc(Cl)cc3)cc2)C1)=O	346
+CC(C)(C)OC(N1CC(C(c2ccc(cc2)O)CC1)OCc3ccc4c(cccc4)c3)=O	1691
+CC(C)(C)OC(=O)N1CC(CC(N=[N+]=[N-])C1)C(OC)=O	298
+CC(C)(C)[Si](C)(C)OC1CN(C(OC(C)(C)C)=O)CC(CNc2c3nccnc3cc(Cl)n2)C1	1679
+CC(C)(C)OC(N1CC(O[Si](C)(C)C(C)(C)C)CC(C1)CN)=O	18
+O=S(=O)(c1ccccc1Cl)C2CC(NC2)C(OC)=O	4084
+CC(C)(C)OC(=O)N1c2c(c3c(cccc3)c(c2)NC(=O)OCC(SSc4ccccn4)C)C(CCl)C1	3929
+CC(C)(C)OC(=O)N1CC(CCl)c2c1cc(c3ccccc23)NC(=O)OCC4c5ccccc5-c6ccccc46	90
+CC(C)(C)OC(N1CC(CCl)c2c3cccnc3c(cc12)O)=O	321
+c1ccccc1COc2c3c(cccn3)c4c(NCC4CCl)c2	396
+c1ccccc1COc2c3c(cccn3)c4C(CCl)CN(C(=O)c5[nH]c6c(c5)cc(OCCN(C)C)cc6)c4c2	7448
+c12ccccc1[nH]cc2C3C(CNC3)c4c5cccc6CCCn(c4)c56	2
+CC(C)(C)OC(N1CC(OC)c2cc(ccc2C1)OCC3CC3)=O	76
+CC(C)(C)OC(N1CC(O)c2c(C1)ccc(O)c2)=O	16
+CC(C)(C)OC(=O)N1CC(c2c(ccc(OC)c2)C1)CO	21
+CC(C)(C)OC(N1CCC(c2ccc(cc2)B3OCC(CO3)(C)C)C1)=O	734
+c1cc(ccc1C2(CCNC2)O)Cl	2
+FC1(F)CCC(CC1)OC(Nc2ccc(cc2)C3CCNC3)=O	2
+c1ccccc1C2C(CNC2)CN3CCC4(CC3)CCN(Cc5ccc(cc5)Br)C4=O	2
+CC(C)(C)OC(=O)N1CC(CC1C)c2ccccc2	2836
+c1cc(ccc1)C2CNCCN2CC	2
+c1cc(ccc1-c2nn(C3CNCCC3)c4ncnc(N)c24)Oc5c(ccc(F)c5)F	2
+c1cc(ccc1-c2nn(C3CNCCC3)c4ncnc(N)c24)Oc5cccc(F)c5	2
+CC(C)(C)OC(=O)N1CC2(CC(C2)O)C1	100
+CC(C)(C)OC(=O)N1CC2(CC(C2)Nc3c(-c4ccc(cc4)Oc5ccccc5)c(N)ncn3)C1	4172
+CC(C)(C)OC(N1CC2(C1)CC(C2)Nc3c(cnc(-c4cccc(c4)-c5cn(nc5)C)n3)-c6cnn(C)c6)=O	261
+CC(C)(C)OC(N1CC2(CC(C2)n3cc(Br)cn3)C1)=O	1647
+C1C2(CN1C(OCC)=O)Oc3c(C(=O)C2)cc(cc3)C=CC(=O)OC	7449
+CC(C)(C)OC(=O)N1CC2(C1)OCc3c2cnc(C=O)c3	1406
+CC(C)(C)OC(N1CC2(CC(C2)Nc3c(Br)cnc(Cl)n3)C1)=O	40
+CC(C)(C)OC(N1CC2(C1)CC(C2)Nc3c(Cl)c(ncn3)N)=O	7450
+C1C2(CC1N3CCC(CC3)C(=O)OCC)CCNC2	2
+CC(C)(C)OC(N1CC2(C1)CC(C2)Nc3nc(ncc3-c4cn(C)nc4)Cl)=O	2420
+CC(C)(C)OC(N1CC2(C1)CC(C2)n3ncc(-c4cc(OC(C)c5c(ccc(F)c5Cl)Cl)c(nc4)N)c3)=O	4109
+CC(C)(C)OC(N1CCC(C2(CC2)C1)(O)c3ccc(cc3)Cl)=O	251
+CC(C)(C)OC(N1CC2(CCCC2)C(Nc3nc(ncc3C)Cl)C1)=O	40
+CC(C)(C)OC(=O)N1CC2(CCCC2)C(Nc3nc(Nc4cn(C)nc4)ncc3C)C1	486
+C1CC2CC(CC1N2C(OCC)=O)N3CCC4(CC3)c5c(CNC4)cccc5	2
+CC(C)(C)OC(N1CC2(CN(c3cnc(Oc4ccc(cc4)Oc5cc(ccc5)F)c(C(=O)N)c3)CC2)CC1)=O	2682
+c1cc(ccc1Oc2c(C(=O)N)cc(N3CCC4(C3)CCNC4)cn2)Oc5cc(ccc5)F	2
+CC(C)(C)OC(=O)N1CC2(CN(C2)C(NCc3ccc(cc3Cl)Cl)=O)C1	384
+CC(C)(C)OC(=O)N1CC2(CN(C2)C3CCN(CC3)Cc4ccccc4)C1	85
+c1c(cc2c(c1)N(CC23CNCC3)C(Nc4ncc(Cl)s4)=O)Br	2
+CC(C)(C)OC(N1CC2(c3cc(Br)ccc3N(C(Nc4ncc(Cl)s4)=O)C2)CC1)=O	2143
+CC(C)(C)OC(N1CC2C(C1)c3c(CO2)cc(O)cc3)=O	16
+FC(F)(F)C(=O)NCC1C2CC(C)CC2CN1C(=O)OC(C)(C)C	605
+FC(F)(F)c1ncc(nc1)NCC2CC3C(CN2)C3	2
+CC(C)(C)OC(=O)N1CC2C(CC(C2)N)C1	273
+FC(F)(F)c1ccc(NCC2CC3C(CN2)C3)nn1	2
+CC(C)(C)OC(=O)N1CC2CC(CCC2C1)=O	86
+C1C2CNCC2CN1C(c3c(-c4nnc[nH]4)cccc3)=O	2
+CC(C)(C)OC(=O)N1CC2N(C(Cc3c2cn[nH]3)C1)S(=O)(=O)c4ccc(cc4)Cl	7451
+CC(C)(C)OC(N1C(CNCc2ccccc2)C3C(CC(C3)C)C1)=O	110
+c1cc(ccc1)C2(C3CNCC3CC(C2)CC#N)O	2
+CC(C)(C)OC(N1CC2CC(CC(C1)N2S(=O)(=O)c3ccc(cc3)Cl)=O)=O	92
+CC(C)(C)OC(N1CC2CC(CC(C1)N2)=O)=O	25
+CC(C)(C)OC(N1CC2CC(C(C(C1)N2S(=O)(=O)c3ccc(cc3)Cl)C=O)=O)=O	7452
+CC(C)(C)OC(N1CC2CC(CC2C1)Nc3c(cnc(Nc4ccc5c(C)n(C)nc5c4)n3)Cl)=O	55
+C1C2C(CC1Nc3c(cnc(Nc4ccc5c(C)n(C)nc5c4)n3)Cl)CNC2	2
+CC(C)(C)OC(=O)N1CC2C(C1)CCC(Nc3c(cnc(n3)Cl)Cl)C2	40
+CC(C)NC(=O)CNC(=O)c1cc(N2C3CNC(C3)C2)ccc1[N+](=O)[O-]	2
+FC(F)(F)c1c(ncc(c1)-c2nc(N3CC4CC3C4)nc(N5CC6NCC5C6)c2)N	2
+CC(C)(C)OC(N1C(CN2C(c3ccccc3C2=O)=O)CC4CC4C1)=O	332
+CC(C)(C)OC(=O)N1CC2CN(CC(C1)O2)CCN(CCOc3ccc(cc3)C#N)C(=O)N(C)C	61
+CC(C)(C)OC(=O)N1CC2CN(CC(C1)O2)CCN(S(=O)(=O)C)CCOc3ccc(cc3)C#N	28
+C12CNCCN1C(COC2)=O	2
+c1cc(ccc1)C(=O)NC2=NC3(CNCC3CS2)c4cnccn4	2
+c1cc(ccc1CN2C3CC(C2)NC3)C(OC)=O	2
+CC(C)(C)OC(=O)N1CC2C(CC1)CN2C(c3cccc(F)c3-n4nccn4)=O	30
+CC(C)(C)OC(=O)N1CC2c3c(cc(c(c3)N)N)C(C1)C2	0
+CC(C)(C)OC(N1CCC(CC1)c2ccccc2C#N)=O	191
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C)cccc2F	191
+CN(c1ncc2c(c1)n(cn2)C)c3ccc(C4=CCNCC4)cc3CC	366
+C1=C(CCNC1)c2cc(ncn2)Nc3ccc4c(nccc4)c3	366
+n1cc(cnc1N2CCC(CC2)C3(Cc4cc(ccc4O3)C=5CCNCC=5)C)C6CC6	366
+c1cc(cc(-c2ncnc3c2cc(C4=CCNCC4)[nH]3)c1OC)F	366
+C1CN(CCC1Oc2sc3cc(C=4CCNCC=4)ccc3n2)c5nnc(C)s5	366
+C1CN(CCC1Oc2sc3cc(C=4CCNCC=4)ccc3n2)c5onc(C(C)C)n5	366
+CC(C)(C)OC(N1CC=C(CC1)c2cc(c(N(c3cc4n(C)cnc4cn3)C)cc2)CC)=O	1121
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)C(C)C(OC)=O	191
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc3c(OCC=4N3C(C)C(=O)NN=4)cc2	191
+CC(C)(C)OC(=O)N1CC=C(c2sc(nn2)-c3ccc(-n4cccn4)cc3OC)CC1	4173
+CC(C)n1c2c(c(C(NCc3c(nc(C)cc3C)O)=O)cc(n2)C=4CCNCC=4)cn1	366
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(-c3ccccc3F)cc4OCC5=NNC(=O)C(N5c4c2)C	191
+CC(C)(C)OC(N1CC=C(CC1)c2ccc(c(c2)CC)Nc3cc4c(cn3)ncn4C)=O	1504
+c1cc(ccc1)-c2nc(-c3c(N)ncc(C4=CCNCC4)n3)no2	366
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(-c3ncccn3)c(N)nc2	671
+C=1CNCCC=1c2cnc(cc2)[N+]([O-])=O	366
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc3ccc(c4OCC(c5ncccc5)n2c34)-c6c(noc6C)C	4174
+CC(C)(C)OC(N1CCC(CC1)c2ncc(C(=O)Nc3cn4c(cc3)nc(C)c4)cc2)=O	1676
+CC(C)(C)OC(=O)N1CCC(CC1)c2cnc(C(OC)=O)cn2	7453
+CC(C)(C)OC(N1CCC(c2cccc(N)c2)=CC1)=O	2144
+CC(C)(C)OC(N1CC=C(CC1)c2c(C#N)cccc2)=O	2144
+n1cc(cnc1N2CCOC(Cn3c4nc(-c5cn(C)nc5)cnc4nn3)C2)C=6CCN(CC=6)C	352
+CC(C)(C)OC(N1CCC(c2scc(C(O)=O)c2)=CC1)=O	6
+CC(C)(C)OC(N1CC(F)C(O)CC1)=O	100
+CC(C)(C)OC(N1Cc2nc(COc3ccccc3)oc2CC1)=O	7454
+CC(C)(C)OC(=O)N1CC(C(=O)C1)=CN(C)C	7455
+CC(C)(C)OC(N1CC(c2ccc(cc2)Cl)(CC1)O)=O	251
+CC(C)(C)OC(=O)N1CCC(C(O)C)C1	100
+CC(C)(C)OC(=O)N1CC(CC1)C(=O)C=CN(C)C	7456
+CC(C)(C)OC(N1CCC(C(C1)CO)OCOC)=O	95
+CC(C)(C)OC(N1CC(C(CC1)NC(=O)OCc2ccccc2)C(OCC)=O)=O	101
+c1(C(CCC2C(CNCC2)C(OC)=O)=O)c(cnc3ccc(OC)cc13)F	2
+CC(C)(C)OC(N1CCC(C(F)C1)NC(OCc2ccccc2)=O)=O	101
+CC(C)(C)OC(N1CCC(C(F)C1)NCc2ccccc2)=O	42
+CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])C(F)C1	298
+CC(C)(C)OC(=O)N1CC(C(CC1)NC(OCc2ccccc2)=O)OC	101
+CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccccc2)C(OC)C1	93
+CC(C)(C)OC(N1CCC(C(COc2ccc(cc2C#N)SCc3ccccc3)C1)c4ccc(cc4)Cl)=O	1524
+c1ccccc1COC(=O)NC2CCNCC2F	2
+CC(C)(C)OC(N1CCC(C(C1)F)N)=O	273
+CC(C)(C)OC(N1CC(C(CC1)N)N(C)C)=O	102
+CC(C)(C)OC(N1CCC(O)C(NC(COc2ccccc2)=O)C1)=O	68
+CC(C)(C)OC(N1CC(OCc2ccc3c(cccc3)c2)C(c4ccc(cc4)OCC=C)CC1)=O	149
+CC(C)(C)OC(N1C(c2cc(nc(-n3ccnc3)n2)C)C(C(=O)NC)CC1)=O	271
+CC(C)(C)OC(N1CC(C(CC1)c2cccc(c2)CO)OCc3cc(OCc4ccccc4)c5ccccc5c3)=O	98
+CC(C)(C)OC(=O)N1CC(CC1)CC(OCC)=O	456
+CC(C)(C)OC(N1CCC(Nc2nc(C=3NNC(=O)N=3)cc4ccc(Cl)cc24)C1)=O	4175
+n1c2ccccc2c(cc1-c3ccccc3O)NC4CNCC4	2
+FC(F)(F)c1ccccc1OC2CNCC2	2
+CC(C)(C)OC(N1CCC(c2nc3ccnn3c(c2)N)C1)=O	1994
+c12nnc(n1cc(cc2)F)C3CCNC3	2
+C[Si](C)(C)C#Cc1n(C2CCN(C2)C(=O)OC(C)(C)C)c3c(c(ncn3)N)c1-c4ccc(cc4)Oc5ccccc5	7457
+CC(C)(C)OC(N1CC(CC1)n2c3ncnc(N)c3c(-c4ccc(cc4)Oc5ccccc5)c2C#N)=O	7458
+[N-]=[N+]=NC1CCNC1C(NC(Cc2cc3c(cccc3)cc2)C(=O)OC)=O	255
+CC(C)(C)OC(=O)N1C(C(O)CC1)CO	21
+CC(C)(C)[Si](C)(C)OC1CCN(C(OC(C)(C)C)=O)C1C(O)=O	19
+C1CC12CNCCC2(O)c3ccc(cc3)Cl	2
+CC(C)(C)OC(N1CCC(CC1)(C#N)CCSc2ccc(cc2)SC)=O	7459
+CC(C)(C)OC(=O)N1CCC(CC1)(CC=O)C(OC)=O	1981
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3c(ncn2)cc(cc3)F	7460
+C1CNCCC1(c2ccc(cc2)Cl)C(C)(C)O	2
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)-c3ccccc3)C(O)=O	4
+CC(C)(C)OC(=O)N1CCC(CC1)(C)CO	95
+CC(C)(C)OC(=O)N1CCC(CC1)(C)CCN	51
+CC(C)(C)OC(=O)N1CCC(CC1)(C)C#C	1596
+FC(F)(F)CNCC1(CCN(CC1)C(=O)OC(C)(C)C)COCc2ccccc2	110
+CC(C)(C)OC(=O)N1CCC(CC1)(CO)CCC=C	95
+CC(C)(C)OC(N1CCC(CC1)(C#N)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1CCC(CC1)(F)CNC(=S)NC(=O)OCC2c3ccccc3-c4c2cccc4	7461
+CC(C)(C)OC(N1CCC(CC1)(c2ccc(cc2)I)CN(C(Nc3cc(Cl)cc(Cl)c3)=O)C)=O	326
+CC(C)(C)OC(=O)N1CCC(CC1)(F)CN2C(=O)c3c(C2=O)cccc3	332
+FC(F)(F)c1cc(cc(COCC2(CCN(CC2)C(OC(C)(C)C)=O)c3c(Br)cc(F)cc3)c1)-c4ccc(cc4)C#N	149
+C[Si](C)(C)CCOCn1nc2c(cc(F)cc2c1)C(C)OCC3(CCN(CC3)C(OC(C)(C)C)=O)c4ccc(cc4)F	7462
+C1CC(CCN1)(CO)c2ccc(cc2)SC	2
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(cc(c3)Br)F)=O	149
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(cc(Br)c3)-c4ccc(cc4)F)=O	149
+CC(C)(C)OC(=O)N1CCC(CC1)(C)CCC=C	2836
+C1CC(CCN1)(Cc2ccc(cc2)F)C#N	2
+CC(C)(C)OC(N1CCC(CC1)(O)Cc2nc(Nc3nccs3)ccc2)=O	4176
+CC(C)(C)OC(=O)N1CCC(CC1)(CO)NC(OCc2ccccc2)=O	101
+C1CNCCC1(CF)NC(OCc2ccccc2)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)(C#C)O[Si](C)(C)C	4177
+CC(C)(C)OC(N1CCC(CC1)(O)C#C)=O	1407
+CC(C)(C)OC(=O)N1CCC(CC1)(OC)C	76
+CC(C)(C)OC(=O)N1CCC(CC1)(Cn2c3c(nc2COCC)cnc4ccccc34)O	546
+CC(C)(C)OC(N1CCC(CC1)(O)CNc2c(N)cnc3c2cccc3)=O	13
+C1CC(CCN1)(O)Cc2nc(Nc3nccs3)ccc2	2
+CC(C)(C)[Si](C)(C)OC1(CCN(CC1)C(=O)OC(C)(C)C)c2[nH]c(-c3ccc(c(C)c3)F)cn2	19
+CC(C)(C)n1nc(cc1NC(C(C)NC(OCc2ccccc2)=O)=O)C3(CCNCC3)c4ccccc4	2
+CC(C)(C)OC(N1CCC(CC1)(C(C)(C)O)c2ccc(cc2)Cl)=O	736
+c1cc(ccc1I)C2(CCNCC2)CN(C(Nc3cc(Cl)cc(Cl)c3)=O)C	2
+CC(C)(C)OC(N1CCC(CC1)(CO)c2ccc(cc2)SC)=O	237
+C1CNCCC1(C#N)c2ncccc2	2
+CC(C)(C)OC(N1CCC(CC1)(c2cc3c(cnc(c3)-c4ccc(cc4)S(=O)(=O)C)o2)C)=O	140
+C1CC(CCN1)(O)c2scc(-c3c(c4c(N(C(C)CC4)C(OC)=O)cc3)OC5CCC5)n2	2
+CC(C)(C)OC(=O)N1CCC(CC1)=CC#Cc2cc(F)cc(F)c2	7463
+CC(C)(C)OC(N1CCC(CC1)CC#N)=O	3674
+CC(C)(C)OC(=O)N1CCC(CC1)(CC#N)n2nc(N)c(C(=O)N)c2	2525
+CC(C)(C)OC(N1CCC(CC1)Cc2nc3c(nc(Cl)nc3N4CCOCC4)cc2)=O	7464
+CC(C)(C)OC(=O)N1CCC(CC1)NCC(C)C	87
+CC(C)(C)OC(=O)N1CCC(=O)C(C(C(=O)OCC)=O)C1	3834
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(Oc3ccc(Br)cn3)ccc2	846
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(ccc2)Oc3ncc(C)cc3	846
+CC(C)(C)OC(=O)N1CCC2(CC1)OC2	2113
+CC(C)(C)OC(N1CC2(CC2)C(CC1)=O)=O	7465
+CC(C)(C)OC(N1CCC(CC1)(O)C#C[Si](C)(C)C)=O	7466
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cc(Cl)cc2)C=CC(=O)OCC)=O	231
+FC(F)(F)c1c(C2(CCN(CC2)C(=O)OC(C)(C)C)O)cccc1	251
+FC(F)(F)c1cc(c(cc1)Sc2ccc(cc2)Cl)C3(CCN(CC3)C(=O)OC(C)(C)C)O	251
+FC(F)(F)c1ccc2CCC(N3CCN(CC3C)C4(CCN(CC4)C(OC(C)(C)C)=O)C#N)c2c1	735
+FC(F)(F)c1nc(C2(CCN(CC2)C(=O)OC(C)(C)C)O)ccc1	938
+CC(C)(C)OC(=O)N1CCC(CC1)NC	87
+CC(C)(C)OC(N1CCC(CC1)N(C)C(c2ccc3c(non3)c2)=O)=O	7467
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(ccc2Cl)[N+]([O-])=O)=O	231
+CC(C)(C)OC(N1CCC(CC1)=CC#N)=O	1573
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(c([N+]([O-])=O)cc2F)F	846
+CC(C)(C)OC(=O)N1CCC(CC1)(O)c2c(F)cccc2C	251
+CC(C)(C)OC(=O)N1Cc2c3c([nH]c2CC1)cc(Br)cc3	518
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3cc(C#N)ccc3[nH]c2	888
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3c(ccc(c3)[N+](=O)[O-])[nH]c2	888
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3ccccc3[nH]c2	888
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(cc(C#N)cc2)Oc3c(Br)cccc3	231
+CC(C)(C)OC(N1CCC(CC1)(Cc2nc(Cl)ccc2)O)=O	7468
+CC(C)(C)OC(=O)N1CCC(CC1)NCCc2ccccc2[N+](=O)[O-]	87
+CC(C)(C)OC(N1CCC2(CC1)CC(=O)c3c(ccc(c3)Br)O2)=O	2003
+c1cc(ccc1)CN(Cc2ccccc2)C(COC(N3CCC(CC3)=O)=O)C	7469
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccc(cc2)F	231
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccc(cc2)SC	231
+CC(C)(C)OC(N1CCC2(CC1)Nc3c(C(=O)N2)sc(-c4ccncc4)c3)=O	3347
+CC(C)(C)OC(=O)N1CCC(CC1)N2CCN(C(OCc3ccccc3)=O)C(C2)C(=O)N4CCOCC4	85
+CC(C)(C)OC(=O)N1CCC(CC1)(O)c2ccc(cc2)Oc3ccccc3	1035
+CC(C)(C)OC(=O)N1CCC(CC1)=C	7470
+CC(C)(C)OC(=O)N1CCC(CC1)(O)c2nccn2C	7471
+CC(C)(C)OC(=O)N1CCC(CC1)C(=NO)N	609
+CC(C)(C)OC(N1CCC(CC1)(c2ncccc2)C#N)=O	4178
+CC(C)(C)OC(N1CCC(CC1)(Cc2ccc(cc2)F)C#N)=O	7472
+CC(C)(C)OC(N1CCC(CC1)C(=O)CC(=O)Cc2ccccc2)=O	3739
+CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(Nc3n2nc4cc(C)cc(c34)Br)=O	4179
+CC(C)(C)OC(=O)N1CCC(CC1)C=2n3c(c4c(cccc4n3)Br)NC(C=2)=O	4179
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(Cc3ccccc3)n(n2)CC	7473
+CC(C)(C)OC(=O)N1CCC(CC1)C=2n3nc4nccnc4c3NC(C=2)=O	7474
+C1CNCCC1C(N2CC(C(c3cc(c(Cl)cc3)Cl)C2)C(Oc4ccc(C#N)cn4)C)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNCc2ccc(cc2)Cl	15
+CC(C)(C)OC(=O)N1CCC(CC1)c2nnc(CCl)o2	1037
+C1CC(CCN1)C(Nc2cc(ncn2)-c3ccccc3OCC)=O	2
+CC(C)(C)OC(N1CCC(CC1)(C)C(OC)=O)=O	1389
+CC(C)(C)OC(=O)N1CCC(CC1)(C(OC)=O)Cc2ccc(cc2)F	1161
+CC(C)(C)OC(N1CCC(CC1)(C(OC)=O)Cc2ccc(cc2)-c3ccccc3)=O	1161
+CC(C)(C)OC(=O)N1CCC(CC1)(CCOc2ccccc2)C(OCC)=O	1232
+CC(C)(C)OC(=O)N1CCC(CC1)(C(OCC2CCCCC2)=O)Cc3ccc(cc3)C#N	1161
+C1CC(CCN1)C(C(=O)OCC)CC	2
+CC(C)(C)OC(N1CCC(CC1)C(O)CN2CCN(CC2)c3ccc(cc3)S(=O)(=O)C)=O	100
+C1CC(CCN1)C(=O)N2Cc3ccc(C(OC)=O)cc3OCC2C	2
+C1CNCCC1C(=O)N2CCC2	2
+c1cc(ccc1)CN2CCN(CC2)C(=O)C3CCNCC3	2
+CC(C)(C)OC(N1CCC(CC1)C(NNC(c2c(N)ncc(Br)c2)=O)=O)=O	2716
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc(C)nn2	1037
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc(-c3c(N)ncc(Br)c3)nn2	2145
+C1CC(CCN1C(=O)c2cc(c(C)cc2)NC(=O)C3CCNCC3)c4ccc(cc4)-c5cnn(c5)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)C(NCc2c(cccc2)C(F)(F)F)=O	9
+CC(C)(C)OC(=O)N1CCC(CC1)c2onc(n2)Cc3cccnc3	2584
+CC(C)(C)OC(N1CCC(CC1)C(NNC(C)=O)=O)=O	1038
+CC(C)(C)OC(N1CCC(CC1)C(=O)Nc2cc(ncn2)-c3ccccc3OCC)=O	142
+CC(C)(C)OC(N1CCC(CC1)C(=O)C2C(OC(OC2=O)(C)C)=O)=O	3363
+CC(C)(C)OC(=O)N1CCC(CC1)C(Nc2c(N)ccc(-c3c4ccc(F)cc4n(S(=O)(=O)c5ccccc5)c3)c2)=O	33
+CC(C)(C)OC(=O)N1CCC(CC1)C(Nc2ccc(c(Cl)c2)Cl)=O	33
+CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2Cc3cc(c(cc3CC2)OC)OC	10
+CC(C)(C)OC(N1CCC(CC1)C(N2C(C)COc3cc(C(OC)=O)ccc3C2)=O)=O	10
+CC(C)(C)OC(N1CCC(CC1)C(=O)N2CC(C(Oc3ccc(C#N)cn3)C)C(c4cc(c(Cl)cc4)Cl)C2)=O	10
+CC(C)(C)OC(=O)N1CCC(CC1)C(Nc2ccc(cc2)C(C)C)=O	33
+CC(C)(C)OC(N1CCC(CC1)C(Nc2c(ccc(C(=O)N3CCC(CC3)c4ccc(cc4)-c5cnn(C)c5)c2)C)=O)=O	33
+CC(C)(C)OC(N1CCC(CC1)C(=O)NCc2ccc(cc2)Cl)=O	9
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)COc3ccc(cc3)S(=O)(=O)C	1166
+CC(C)(C)OC(=O)N1CCC(CC1)C(Nc2c(C(N)=O)c(-c3ccccc3)ccc2)=O	33
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCN(CC3)C(OC(C)(C)C)=O)=O	9
+CC(C)(C)OC(N1CCC(CC1)C(F)CN2CCN(CC2)c3ccc(cc3)S(=O)(=O)C)=O	2124
+C1CC(CCN1)C(c2ccccc2)OC	2
+CC(C)(C)OC(=O)N1CCC(CC1)C(c2ccc(cc2)Br)O	74
+CC(C)(C)OC(=O)N1CCC(CC1)C(O)c2ccccc2	74
+CC(C)(C)OC(=O)N1CCC(CC1)C2C(C2)COCc3ncc(cc3)Br	1896
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CC(C(NCCC(OCC)=O)=O)CCC2)=O)=O	9
+CC(C)(C)OC(N1CCC(CC1)C=CC(=O)N2CC(C(O)=O)CCC2)=O	3
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CC(CCC2)C(=O)NCCC(O)=O)=O)=O	3
+C1CC(CCN1)C=CC(N2CC(CCC2)C(=O)NCCC(O)=O)=O	2
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CCCC(C2)C(NC(C#C)CC(=O)OCCCCC)=O)=O)=O	27
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CCCC(C2)C(NC(C#C)CC(=O)O)=O)=O)=O	3
+CC(C)(C)OC(N1CCC(CC1)CCc2cc3c(o2)ccc(S(=O)C)c3)=O	7475
+CC(C)(C)OC(N1CCC(CC1)C=Cc2oc3c(cc(cc3)S(=O)C)c2)=O	357
+CC(C)(C)OC(=O)N1CCC(CC1)CC#Cc2c3c(c(nc(CCCC)n3)N)n(COCc4ccccc4)c2	3885
+CC(C)(C)OC(N1CCC(CC1)CC(=NO)N)=O	609
+CC(C)(C)OC(N1CCC(CC1)CC(Nc2nccc(Oc3cc(Cl)c(cc3)N)c2)=O)=O	142
+CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)Nc2ccc(cc2)S(=O)(=O)C	33
+C1CC(CCN1)CC(C#N)NC(=O)C2CCCCC2NC(c3n(C)c4ccccc4c3)=O	2
+CC(C)(C)OC(N1CCC(CC1)CC(Nc2cc(Oc3ccc(NC(Oc4ccccc4)=O)c(Cl)c3)ccn2)=O)=O	90
+C1CNCCC1CC2CCN(CC2)C(C)C	2
+C1CNCCC1CC2CCN(CC2)C3CCC3	2
+C1CNCCC1CC2CCN(CC2)CC	2
+CC(C)(C)OC(N1CCC(CC1)CC2CCN(CC2)C(C)C)=O	2689
+CC(C)(C)OC(N1CCC(CC1)CC2CCN(CC2)CC)=O	183
+FC(F)(F)c1ccc(cc1)C=CCC2CCN(CC2)C(=O)OC(C)(C)C	3386
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCN	51
+CC(C)(C)OC(=O)N1CCC(CC1)CCCN2C(=O)c3c(N=C2C)c(OC)ccc3	7476
+CC(C)(C)OC(N1CCC(CC1)CCCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1CCC(CC1)CCCOc2cc(ccc2)CC(=O)OC	20
+CC(C)(C)OC(N1CCC(CC1)CCCC#N)=O	300
+CC(C)(C)OC(N1CCC(CC1)CCI)=O	343
+CC(C)(C)OC(=O)N1CCC(CC1)CCOc2cc(F)cc(Nc3ccc(I)cc3F)c2[N+](=O)[O-]	57
+CC(C)(C)OC(N1CCC(CC1)CCc2oc3ccc(cc3c2)S(=O)(=O)C)=O	2146
+C1CNCCC1CCc2noc3c(CO)c(ccc23)OCC4CC4	2
+CC(C)(C)OC(N1CCC(CC1)CN2CCC(CC2)CNC(C3=Cc4c(C)cccc4N(C3=O)C(C)C)=O)=O	183
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(ncc2[N+]([O-])=O)Nc3ncc(C#N)nc3	2785
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(ncc2Cl)Nc3ncc(C#N)nc3	7477
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ncc(cn2)-c3ccc(cc3)S(=O)(=O)C	537
+CC(C)(C)OC(=O)N1CCC(CC1)COc2c([N+]([O-])=O)cnc(Br)c2	260
+CC(C)(C)OC(=O)N1CCC(CC1)COS(=O)(=O)c2ccc(cc2)C	1293
+CC(C)(C)OC(=O)N1CCC(CC1)COc2ccc3c(ncnc3Nc4[nH]nc(c4)CC(Nc5c(c(F)ccc5)F)=O)c2	126
+CC(C)(C)OC(N1CCC(CC1)COc2c3c(cccc3)c(Cl)cc2C(NC(C)(C(=O)OCC)CC)=O)=O	20
+CC(C)(C)OC(=O)N1CCC(CC1)COc2ccc(nc2)Cl	981
+CC(C)(C)OC(=O)N1CCC(CC1)COS(=O)(=O)c2ccc(cc2)C	36
+C1CNCCC1COC2CC2	2
+C1CC(CCN1)COCCN2CCCC2	2
+CC(C)(C)OC(N1CCC(CC1)COc2cc(Nc3cnc(C#N)cn3)ncc2N)=O	13
+C1CNCCC1COc2c(C(NC(C)(C(=O)OCC)CC)=O)cc(Cl)c3ccccc23	2
+C1CC(CCN1)COc2c3ccccc3nc(c2)C	2
+CC(C)(C)OC(N1CCC(CC1)COc2cc(ncc2NC(=O)CN(C)C)Nc3cnc(C#N)cn3)=O	469
+CN(C)CC(=O)Nc1c(cc(nc1)Nc2cnc(C#N)cn2)OCC3CCNCC3	2
+C1CN(CCO1)c2nc(Cl)nc3ccc(CC4CCNCC4)nc23	2
+FC(F)(F)C(N(C1CCNCC1)C2CC2)=O	2
+C1CNCCC1N(C)CCc2ccc(cc2)Oc3ccccc3	2
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CCCCC2)CC=O	378
+CC(C)(C)OC(N1CCC(CC1)N(C2CCCCC2)CC(N(OC)C)=O)=O	978
+CC(C)(C)OC(N1CCC(CC1)N2C(COC3CCCCC23)=O)=O	467
+c1cc(ccc1[N+]([O-])=O)CN(C2CCNCC2)C(c3ccc(cc3)CCCCC)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c2cc(ccc2)OC(C)(C)C(OCC)=O	14
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(c(cn2)Cl)-c3cnc(n3C(C)C)C)=O	96
+CC(C)(C)OC(N1CCC(CC1)NC(=O)N2Cc3c(C(=O)N)c(nn3CC2)-c4cccc(F)c4)=O	1893
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccncc2[N+](=O)[O-]	105
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(nc(n2)OC)Cl)=O	387
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)C(OC(C)(C)C)=O)=O	282
+FC(F)(F)c1nnc(cc1)NC2CCN(CC2)C(OC(C)(C)C)=O	232
+CC(C)(C)OC(=O)N1CCC(CC1)NC(c2ccc(cc2)Nc3ncc4c(n3)N(CC(F)(F)C(N4C)=O)C5CCC5)=O	14
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(c(F)cc2[N+](=O)[O-])C)=O	60
+CC(C)(C)OC(N1CCC(CC1)Nc2c(c(F)cc(c2)OC)[N+](=O)[O-])=O	60
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ncc(c(c2)I)Cl	182
+CC(C)(C)OC(=O)N1CCC(CC1)NCc2cc(ccc2F)-c3ccnc(Cl)n3	42
+CC(C)(C)OC(N1CCC(CC1)NS(=O)(=O)c2ccc(cc2CBr)Br)=O	71
+CC(C)(C)OC(N1CCC(CC1)Nc2ncc(C(c3ccccc3OC)=O)c(n2)N)=O	7478
+CC(C)(C)OC(N1CCC(CC1)Nc2ncnc3n(S(=O)(=O)c4ccc(cc4)C)ccc23)=O	974
+CC(C)(C)OC(N1CCC(CC1)Nc2ccc(C)cc2[N+](=O)[O-])=O	60
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(c(Cl)cc2[N+]([O-])=O)OC)=O	60
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c([N+](=O)[O-])cc(Br)cn2	340
+CC(C)(C)OC(N1CCC(CC1)Nc2c([N+](=O)[O-])c(F)cc(c2)C3CC3)=O	60
+CC(C)(C)OC(N1CCC(CC1)NC(=O)Nc2c(c(c(cc2I)C)F)F)=O	282
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccc(C(=O)c3c(F)cccc3)c(N)n2	70
+CC(C)(C)OC(=O)N1CCC(CC1)NCC(COc2ccccc2)O	122
+CC(C)(C)OC(N1CCC(CC1)Nc2c([N+]([O-])=O)cnc3c2ccn3S(=O)(=O)c4ccccc4)=O	2048
+CC(C)(C)OC(N1CCC(CC1)NC(=O)Cc2ccc(cc2)C#N)=O	9
+CC(C)(C)OC(N1CCC(CC1)NC(Cc2ccc(cc2)Cl)=O)=O	9
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4c(c(ncn4)NC5CCN(CC5)C(=O)OC(C)(C)C)c3	40
+CC(C)(C)OC(N1CCC(CC1)Nc2oc(-c3ccc(cc3)F)cn2)=O	7479
+CC(C)(C)OC(=O)N1CCC(CC1)NCc2ccc(cc2)[N+]([O-])=O	42
+CC(C)(C)OC(N1CCC(CC1)NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)=O	71
+CC(C)(C)OC(=O)N1CCC(CC1)NCC(COc2ccncc2)O	122
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(ccn2)N(C)c3cc4n(C)cnc4c(c3)-c5ccccc5)=O	306
+CC(C)(C)OC(=O)N1CCC(CC1)NCc2ccccc2	42
+CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c2n(Cc3cc(on3)-c4ccc(Cl)s4)c5c(cccc5)c2	81
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2nc(nc3ccccc23)Cl	40
+CC(C)(C)OC(=O)N1CCC(CC1)NCc2c3c(nc(n3CC)-c4c(N)non4)cnc2	2590
+CC(C)(C)OC(N1CCC(CC1)N2C(c3c(cc(n3C(C)C)-c4c(OC)nc(nc4)OC)C2=O)c5ccc(cc5)Cl)=O	7480
+C1CC(CCN1)N2C(=O)COC3C2CCCC3	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(c3c(N(Cc4onc(CC)n4)C2=O)cc(-c5ccc(F)c(F)c5)s3)=O	268
+CC(C)n1c(cc2C(N(C3CCNCC3)C(c4ccc(cc4)Cl)c12)=O)-c5c(OC)nc(nc5)OC	2
+C1CC(CCN1)N2C(C(Oc3cc(F)c(S(=O)(=O)C)cc3F)CC2)=O	2
+C1CNCCC1N2CCC3(CC2)OC(Nc4ccccc34)=O	2
+C1CC1CN2CCN(CC2)C3CCNCC3	2
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2)=O	7481
+c1cc(ccc1C#N)CC(NC2CCNCC2)=O	2
+C1CC(CCN1)NC(N2Cc3c(C(=O)N)c(nn3CC2)-c4cccc(F)c4)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(Nc3c(c(F)c(cc23)C)F)=O	7482
+C1CC(CCN1)NC(Cc2ccc(cc2)Cl)=O	2
+CC(C)(C)OC(N1CCC(CC1)NC2CCCCC2O)=O	118
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CC2)C(=O)c3ncn(-c4ccc(cc4)S(=O)(=O)C)c3	777
+CC(C)(C)OC(=O)N1CCC(CC1)N(C(=O)c2ncn(-c3c(cc(cc3)C#N)F)n2)C4CC4	2090
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CCC(CC2)C)C(Nc3sc(cn3)C=O)=O	7483
+CC(C)(C)OC(N1CCC(CC1)N(C2CCCCC2)CC(OCC)=O)=O	7484
+C1CNCCC1NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(c(N4CCOCC4)nc(-n5c6cccc(c6nc5C(F)F)OC)n3)nn2	4180
+CC(C)(C)OC(=O)N1CCC(CC1)n2c(nc3c2ccc(C)c3)-c4ccccc4	1301
+CC(C)(C)OC(=O)N1CCC(CC1)N2c3c(NC2=O)cc(c(OC)c3)Cl	7485
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(C3CC3)cc(F)c2N)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cnc3n(ccc23)S(=O)(=O)c4ccccc4)N)=O	13
+CC(C)(C)OC(N1CCC(CC1)Nc2c(c(cc(OC)c2)F)N)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2ccc(cc2CCC(OCC)=O)Cl)=O	159
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(ccc2SCCI)[N+]([O-])=O)=O	343
+C1CCCC1CC(=O)Nc2cnc3n(ccc3c2NC4CCNCC4)S(=O)(=O)c5ccccc5	2
+CC(C)(C)OC(N1CCC(CC1)Nc2cccc3c2ccnc3NCc4ccc(cc4)OC)=O	70
+C1CC(CCN1)Nc2cccc3c2ccnc3N	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(Nc3c2cc(C4CC4)cc3F)=O	1019
+CC(C)(C)OC(N1CCC(CC1)Nc2c(N)cc(Cl)c(OC)c2)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cc(c(c2)C)F)N)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2c(N)cc(C)cc2)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cc(cc2)Cl)CCC(=O)O)=O	3
+CC(C)(C)OC(N1CCC(CC1)Nc2c3ccnc(c3ccc2)N)=O	755
+CC(C)(C)OC(N1CCC(CC1)Nc2ccccc2CN)=O	45
+CC(C)(C)OC(N1CCC(CC1)Nc2ccccc2CN3C(c4c(cccc4)C3=O)=O)=O	2397
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3nc(Cl)nc(N4CCOCC4)c3nn2	4180
+C1CNCCC1Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2	2
+C1CC(CCN1)Nc2ncc(Cl)c(-c3cnc(n3C(C)C)C)n2	2
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(Cl)nc(N3CCOCC3)c2N)=O	193
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(nc(c2[N+]([O-])=O)N3CCOCC3)-n4c5c(c(ccc5)OC)nc4C(F)F)=O	1098
+CC(C)(C)OC(N1CCC(CC1)Nc2c(N)c(N3CCOCC3)nc(n2)-n4c(C(F)F)nc5c4cccc5OC)=O	193
+C1CC(CCN1)Nc2nc3c(ccc(OCC#N)c3)o2	2
+C1CC(CCN1)Nc2ncc(C(c3ccccc3OC)=O)c(n2)N	2
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(ccn2)C(=O)O)=O	1
+C1CNCCC1Nc2ncnc3n(S(=O)(=O)c4ccc(cc4)C)ccc23	2
+CC(C)(C)OC(N1CCC(CC1)Nc2nnc(o2)-c3c(cc(Nc4cc5c(ncs5)cc4)nc3)NC(C)C)=O	201
+C1CNCCC1Nc2nnc(o2)-c3c(cc(Nc4cc5c(ncs5)cc4)nc3)NC(C)C	2
+CC(C)(C)OC(N1CCC(CC1)Nc2nc3c(ccc(OCC#N)c3)o2)=O	489
+C1CC(CCN1)Nc2nc3c(cccc3[N+](=O)[O-])o2	2
+C1CNCCC1OC(Nc2ccccc2C3CCCCC3)=O	2
+C1CNCCC1OCCCCCOC	2
+C1CNCCC1Oc2c(F)c(C(Nc3ccc(cc3)C#N)C(=O)OCC)cc(OCC)c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(N(c3c(cc(C#N)cc3)F)C=C2)=O	4181
+C1CNCCC1Oc2cc3n(-c4cc(OC(C)c5ccccc5Cl)c(C(OC)=O)s4)cnc3cc2	2
+C1CNCCC1Oc2ccc(cc2)N3C(C)=Nc4ccccc4C3=O	2
+c1cc(ccc1N2CCN(C(OCc3ccccc3)=O)CC2=O)OC4CCNCC4	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)NC(=O)C3CNC3	62
+FC(F)(F)Oc1ccc(cc1)OC2CCNCC2	2
+CC(C)(C)OC(N1CCC(CC1)Oc2ncc(N)c3ccccc23)=O	13
+C1CC(CCN1)Oc2ncc(-c3ccc(cc3)F)cc2	2
+CC(C)(C)OC(N1CCC(CC1)Oc2nnc(c(-c3cc(-c4occn4)c(cc3)OC5CCCCC5)c2)CCCC)=O	7486
+CC(C)(C)OC(=O)N1CCC(CC1)Sc2ncnc(Cl)c2C	2147
+c1cc(ccc1F)Nc2nc(cs2)CSc3c(c(C4CCNCC4)c(c(N)n3)C#N)C#N	2
+CC(C)(C)OC(N1CCC(CC1)c2c(C#N)c(nc(N)c2C#N)SCc3nc(sc3)Nc4ccc(cc4)F)=O	2837
+CC(C)(C)OC(=O)N1CCC(CC1)c2ncc(cc2)Nc3nc(c(C)cn3)C#Cc4ccccc4CC(OC)=O	949
+C1CC(CCN1)c2ccccc2C#N	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(COS(=O)(=O)C)cccc2	710
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(COc3ccc(cc3)S(=O)(=O)C)cs2	2088
+C1CNCCC1c2nc(cs2)C#Cc3c4c(ccc3)cccc4	2
+C1C(CC1)N2CCc3c(CC2)sc(n3)C4CCNCC4	2
+C1CC(CCN1)c2ccc(cn2)C(=O)Nc3cn4c(cc3)nc(C)c4	2
+CC(C)(C)OC(N1CCC(CC1)c2scc(n2)C#C[Si](C)(C)C)=O	4182
+C1CNCCC1n2c(Sc3c(cc4OCOc4c3)Br)nc5c(ncnc25)N	2
+CC(C)(C)OC(N1CCC(CC1)n2ncc(Nc3ncc(C(F)(F)F)c(n3)CCc4c(C(C(=O)N)C)cccc4)c2)=O	801
+C1CNCCC1n2ncc(c2)-c3c(c4c(cc3)N(C(C)CC4)C(OC)=O)OCCC	2
+C1CC(CCN1)n2cc(cn2)Nc3nc(CCc4ccccc4C(C(=O)N)C)c(Cl)cn3	2
+C1CC(CCN1)n2ncc(Nc3nc(CCc4ccccc4C5(CC5)C(N)=O)c(cn3)C)c2	2
+FC(F)(F)c1cnc(nc1CCc2c(C(C(=O)N)C)cccc2)Nc3cnn(c3)C4CCNCC4	2
+C1CC(CCN1)n2ncc3cc(OCC(NCC(O)CN4Cc5c(cccc5)CC4)=O)ccc23	2
+CC(C)(C)OC(=O)N1CCC(CC1C(=O)OC2CCCC2)NCc3ccccc3	87
+FC(F)(F)C(=O)N(C1CC(NCC1)Cc2ccccc2)Cc3c4c(cccc4)ncc3	2
+c1cc(ccc1Br)C(=O)N(C2C(CNCC2)c3ccc(c(c3)Cl)Cl)C	2
+CC(C)(C)OC(N1CC(N(C)c2c3ccccc3cc(C=4NC(=O)NN=4)n2)CC1)=O	7487
+CC(C)(C)OC(=O)N1CCC(CC1C(=O)OC)N	18
+c1ccccc1COC(NC2C(NC(c3ccc(cc3)N4C=CC=CC4=O)=O)CN(C)CC2)=O	352
+CC(C)(C)OC(N1CC(NC(=O)COCCO)CC1)=O	118
+CC(C)(C)OC(N1CCC(NC(=O)OCc2ccccc2)C(C1)NC(c3ccc(cc3)N4C=CC=CC4=O)=O)=O	93
+c1ccccc1COC(NC2CCNC2)=O	2
+CC(C)(C)OC(N1CCC(Nc2c3c(ccc(F)c3)cc(C(N)=NN)n2)C1)=O	2838
+CC(C)(C)OC(N1CCC(Nc2nc(cc3cccc(c23)Cl)C(=NN)N)C1)=O	2838
+CC(C)(C)OC(N1CCC(C1)Nc2c3cc(Cl)ccc3cc(C(N)=NN)n2)=O	2838
+c1cncc2cccc(NC3CNCC3)c12	2
+CC(C)(C)OC(N1CC(Nc2c3c(Cl)cccc3cc(n2)C=4NNC(=O)N=4)CC1)=O	4175
+CN(C)c1nc(nc2c3c(cccc3)sc12)NC4CCNC4	2
+C1CCCCC1Oc2ccc(cc2)-c3cc(OCC4CNCCC4O)nnc3CCCC	2
+CC(C)(C)OC(=O)N1CC(C(OC)CC1)COc2nnc(CCCC)c(-c3ccc(cc3)OC4CCCCC4)c2	76
+CC(C)(C)OC(N1CCC(=O)C(C1)NC(=O)COc2ccccc2)=O	86
+c1ccccc1C(=O)OC2C(F)CNCC2	2
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OC3CCN(C(OC(C)(C)C)=O)C3	624
+CC(C)(C)OC(=O)N1CCC(Oc2ccc(cc2)F)C1	624
+C1CCCN(CC1)C(=O)c2csc(c2)C3=CCNCC3	366
+CC(C)(C)OC(N1CCC(c2ccc(cc2)-c3c(cc4c(c(C=O)c[nH]4)c3)Cl)C1)=O	749
+CC(C)(C)OC(N1CC(CC1)c2ccc(cc2)N=C=O)=O	861
+c1cc(ccc1C2CCNCC2(F)F)OCc3ccccc3	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(N)ccc2	191
+CC(C)(C)OC(N1CCC1COc2cnc(Cl)c(c2)CC)=O	1661
+CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(C)CC2	782
+C1CNCCC12CC(c3cccc(c23)Br)C(C(OCC)=O)C	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CC=C(c3ccccc23)C(=O)O	127
+CC(C)(C)OC(N1CCC2(CCC(CC2)N(C)c3nc(Cl)ncc3C)CC1)=O	54
+CC(C)(C)OC(N1CCC2(CC1)CCC(CC2)Nc3nc(ncc3Cl)Nc4ncn(c4)C)=O	7488
+CC(C)(C)OC(=O)N1CCC2(CC1)C(N(CCC2)Cc3cn(c4ccccc34)S(=O)(=O)c5ccc(cc5)C)=O	7489
+CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(Cc3c(cccc3)-n4nccn4)CCC2	806
+CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c3ccc(c(C)n3)S(=O)(=O)C)C2	361
+CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(c3ccc(cc3)-c4oc5c(C(C)C)cc(C#N)cc5n4)=O)C2	30
+CC(C)(C)OC(N1CCC2(CC1)COc3cc(ccc23)OCc4c(Cl)cccc4Cl)=O	657
+CC(C)(C)OC(=O)N1CCC2(CC1)CCCC(=O)N2Cc3cccc4n(S(=O)(=O)c5ccc(cc5)C)ccc34	7490
+CC(C)(C)OC(=O)N1CCC2(CC1)NC(C(N2Cc3ccccc3)=O)Cc4ccccc4	4183
+c1cc(ccn1)-c2sc3C(=O)NC4(CCNCC4)Nc3c2	2
+C1CC2(CCN1)OCC(F)(F)c3c2sc(Cl)c3	2
+CC(C)(C)OC(N1CCC2(CC1)CC(C(O)=O)=NO2)=O	3
+C1CNCCC12CC(=O)c3c(O2)ccc(C=CC(=O)OC)c3	2
+CC(C)(C)OC(N1CCC2(CC1)Oc3c(C(C2)=O)cc(C=CC(O)=O)cc3)=O	127
+C1CC2(CCN1CCc3cc(ccc3)OC)CC(c4cc(ccc4O2)C=CC(=O)OC)=O	2587
+C1CC2(CCN1CCCc3ccccc3)CC(c4cc(ccc4O2)C=CC(=O)OC)=O	2587
+C1CNCCC12c3c(cccc3)C(C(N(C)C)=O)=CC2	2
+CC(C)(C)OC(N1CCC2(CC1)c3n(c(cc3)C#N)-c4c(cc(COC(C)=O)cc4)O2)=O	283
+C1CNCCC12c3ccc(n3-c4c(O2)cc(COC(C)=O)cc4)C#N	2
+CC(C)(C)OC(N1CCC2(CCC(CC2)N)CC1)=O	316
+CC(C)(C)OC(N1CCC2(CC1)CCC(CC2)NC)=O	87
+C1CC2(CCN1)CCC(CC2)C(OC)=O	2
+CC(C)(C)OC(N1CCC2(CCC(CC2)N(C)c3nc(ncc3C)Nc4cn(C)nc4)CC1)=O	486
+C1CC2(CCC1N(C)c3nc(ncc3C)Nc4cn(C)nc4)CCNCC2	2
+CC(C)(C)OC(N1CCC2(CC1)CCC(CC2)Nc3nc(ncc3Cl)Cl)=O	40
+CC(C)(C)OC(N1CCC2(CCC(CC2)OCCO)CC1)=O	237
+CC(C)(C)OC(N1CCC2(CCC(CC2)OCCOS(=O)(=O)C)CC1)=O	7
+CC(C)(C)OC(N1CCC2(CCC(CC2)OCCn3cncc3)CC1)=O	1193
+C1CNCCC12CCC(CC2)OCCn3cncc3	2
+c1cc(ccc1)CN2CCC3(CCC2)Oc4c(cc(cc4)C=CC(=O)OC)C(C3)=O	7491
+C1C2c3c4N(C2CCN1)CCCc4cc(c3)-c5c(c(Cl)ccc5)Cl	2
+C1CCC(C1)N2C3C(C(c4c5c([nH]c4)cc(cc5)F)C2)NCC3	2
+CC(C)(C)OC(N1C2C(CC1)CN(C(=O)OCc3ccccc3)C2)=O	613
+CC(C)(C)OC(N1CCC2C(c3c4N2CCCc4cc(-c5cccc(Cl)c5Cl)c3)C1)=O	11
+CC(C)(C)OC(=O)N1C2CN(C2CC1)c3nc(c(C(=O)OCC)s3)C	641
+c1cc(ccc1F)-n2ncc3c2C=C4C(C(c5ccccn5)=O)(CNCC4)C3	2
+c1cc(ccc1F)-n2c3C=C4CCNCC4(COCC)Cc3cn2	2
+C1CC1COCC23CN(S(=O)(=O)c4ccc(cc4)Br)CCC2=Cc5n(ncc5C3)-c6ccc(cc6)F	7492
+C1CCCN1C(C2CCCNC2)=O	2
+CC(C)(C)OC(=O)N1CC(CCC1)C(=O)c2cc(cc(Cl)c2)F	586
+CC(C)(C)OC(=O)N1CC(CCC1)C(=O)c2cc(Cl)ccc2	586
+CC(C)(C)OC(=O)N1CC(CCC1)C(=O)c2cc(F)ccc2C	586
+CC(C)(C)OC(N1CC(CCC1)C(=O)c2ccccc2Oc3ccccc3)=O	7493
+Clc1cccc(c1)C(CCCCOC)(C2CCCNC2)OC	2
+c1c(Cl)c(c(cc1)Cl)-c2n(CC3CCCNC3)c4nc(NCc5ccc(F)c(F)c5)ncc4c2Br	2
+CC(C)(C)OC(=O)N1CCCC(Nc2c(c(OC)nc(N3CCOCC3)n2)I)C1	1154
+CC(C)(C)OC(=O)N1CC(CCC1)Nc2c(c(OC)nc(n2)SC)I	1154
+c1cc(cc(c1Cl)Cl)N=C(N)Nc2nc(cc(n2)C)NC3CCCNC3	7494
+c1ccccc1COC(C(C)(C)Oc2cccc(C3CCCNC3)c2)=O	2
+CC(C)(C)OC(=O)N1CC(CCC1)c2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2	4184
+c1cc(ccc1)COC(=O)N2CCN(CC2)CC3CCCNC3	2
+c1ccccc1COC(NCC2CNCCC2)=O	2
+CC(C)(C)OC(N1CC(CCC1)CNc2nc(ncc2N)NCc3cc(c(F)cc3)F)=O	193
+C1C(CCCN1)(COC)Cc2c(F)cccc2	2
+CC(C)(C)OC(N1CCCC(NC(=O)c2c(ncc(n2)-c3cc(ccc3)CO)N)C1)=O	356
+CC(C)(C)OC(N1CCCC(Nc2c(cnc(-c3c[nH]c4ncc(cc34)Cl)n2)F)C1)=O	392
+c1cc(ccc1C)S(=O)(=O)n2c3ncc(cc3c(-c4ncc(F)c(NC5CNCCC5)n4)c2)Cl	2
+Clc1cnc2[nH]cc(-c3nc(c(cn3)F)NC4CNCCC4)c2c1	2
+n1c2ccc(C#N)cn2c(-c3nccc(n3)NC4CNCCC4)c1	2
+C1CCN(C1)CCOc2nc(nc(NC3CCCNC3)c2)-c4cnc5n4cc(F)cc5	2
+c1cc2c(sc(NC3CCCNC3)n2)cc1Oc4cc(-c5cnn(C)c5)ncc4	2
+CC(C)(C)OC(N1CCCC(Nc2nc3ccc(cc3s2)Oc4cc(ncc4)-c5cnn(C)c5)C1)=O	1396
+CC(C)(C)OC(N1CCCC(c2nc(N)nc(-c3c(O)cccc3O)c2)C1)=O	16
+CC(C)(C)OC(N1c2c(cc(Br)cc2)C(C(CC1)C(=O)OC)=O)=O	1985
+CC(C)(C)OC(N1CCCC(c2cc(-c3c(cccc3O)OCc4ccc(cc4)C)nc(N)n2)C1)=O	22
+CC(C)(C)OC(N1CCCC1(Cc2ccc(cc2)-c3ccc(F)cn3)C(NCC(=O)CC(C)(C)CC)=O)=O	86
+CC(C)(C)OC(N1CCCC1(C(=O)NCC(CC(C)(C)CC)O)Cc2ccc(cc2)-c3ccc(F)cn3)=O	4185
+CC(C)(C)OC(=O)N1CCCC1(c2nc(CC(C)(C)CC)c[nH]2)Cc3ccc(cc3)-c4ccc(F)cn4	4186
+CC(C)(C)OC(N1C2(CCC1)CN(CC2)c3ccc([N+]([O-])=O)c(OC(C)C)c3)=O	34
+CC(C)(C)OC(=O)N1C(CCC1)c2cc3c(o2)cc(Cl)c(Cl)n3	7495
+c1cc(ccc1Cl)-c2cccc(NC(C3NCCC3)=O)c2	255
+c1cc(ccc1Cl)-c2cccc(NC(=O)C3CCCN3C(=O)C(NC(=O)OC)C(C)C)c2	2654
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)Oc3ccc(cc3)-c4cnccc4)=O	754
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCc3ccc(cc3)C(F)(F)F)=O	22
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCC#Cc3ccc(cc3)Br)=O	121
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)O)=O	16
+CC(C)(C)OC(N1C(c2sc(-c3nc4cccc(c4[nH]3)C(N)=O)cc2)CCC1)=O	7496
+CC(C)(C)OC(N1CCCC1c2ccc(s2)C(O)=O)=O	1
+CC(C)(C)OC(=O)N1CCCC2CNCC12	25
+CC(C)(C)OC(N1CCCCC1C(NC(CC)C=CC(O)=O)=O)=O	127
+CC(C)(C)OC(=O)N1C(CCCC1)C(NC(Cc2ccc(nc2)Br)C#N)=O	143
+CC(C)(C)OC(=O)N1CCCCC1C(=O)NC(C=CC(=O)N2CCc3c2cccc3)CC	7497
+CC(C)(C)OC(=O)N1C(Cc2oc3ccccc3n2)CCCC1	1692
+CC(C)(C)OC(=O)N1C(CCCC1)CCOc2c(c(O)nc3c2cc([N+]([O-])=O)c(Cl)c3)-c4cc(C)cc(C)c4	1175
+FC(F)(F)c1ccn2cc(nc2c1)CC3CCCCN3	2
+o1c(-c2cc(ccc2)C#N)cc(C3NCCCC3)n1	2
+Clc1cccc(c1)-c2onc(C3NCCCC3)c2	2
+CC(C)(C)OC(=O)N1CCCN(CC1)c2nc(cc3ccccc23)C(=O)c4c(nccc4)F	7498
+CC(C)(C)OC(N1CCCN(c2nc3ccccc3n2CCn4ccnc4)CC1)=O	1193
+c1ccccc1COC(=O)N2CCNCC2C(Nc3ccc(cc3)Cl)=O	2
+O=S(=O)(N1C(C(OCC)=O)CNCC1)c2ccc(cc2)OCC#CC	2
+C1(C(=O)OCC)N(CCc2ccc3c(c2)OCCO3)CCNC1	2
+CC(C)(C)OC(N1CC(N(CC1)CCOCCO)CN)=O	51
+C1N(CC1C(=O)N2CCNCCC2)C(=O)c3cnc(C)cc3	2
+CC(C)(C)OC(N1CCN(C(C2CN(C2)C(c3ccc(nc3)C)=O)=O)CCC1)=O	1558
+c1ccccc1COC(N2CCNCC2C(N(C)OC)=O)=O	2
+c1cc(ccc1)COC(N2C(CNCC2)c3ccccc3)=O	2
+CC(C)(C)OC(N1CCN(CC1C(=O)c2oc3ccccc3c2)C)=O	7499
+CC(C)(C)[Si](C)(C)OCC1CN(CCN1C2COC2)C(OC(C)(C)C)=O	19
+C1CN(CCN1)C(C2N(CCCC2)C)=O	2
+C1CN(CCN1)C(=O)C2Cc3c(ccc(Cl)c3)O2	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2oc(nn2)C3CCC4N(C(=O)N3C4)OCc5ccccc5	7500
+C1CNCCN1C(Nc2noc3c2cccc3)=O	2
+FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N4CCNCC4)cn1	2
+c1cc(ccc1S(=O)(=O)NCC(C(=O)OC)(C(=O)OC)N2CCNCC2)OCC#CC	2
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(OC)=O)(C(OC)=O)CN	45
+CC(C)(C)OC(N1CCN(CC1)C(C2CCCCN2)=O)=O	679
+C1CN(CCN1)C(=O)CCc2c3C(=O)CCCc3[nH]c2	2
+CC(C)(C)OC(N1CCN(CC1)C(Cn2c3c(c(Cl)ncc3)cc2)=O)=O	7501
+C1CN(CCN1)C(=O)CN2Sc3c(C2=O)cccc3	2
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(Cc2ccc(cc2)Cl)CCN(CC)CC	776
+CC(C)(C)OC(N1CCN(CC1)C(Cn2ccc3c(nccc23)Nc4ncc(C#N)s4)=O)=O	7502
+C1CN(CCN1)C(=O)NCc2ccc(cc2)C#N	2
+CC(C)(C)OC(N1CCN(CC1)C(CN)c2ccccc2F)=O	51
+C1CN(CCN1)C(c2c3c(n(-c4ccccc4)c2Oc5c(ccc(F)c5)C)cnc(c3)OC)=O	2
+C1CNCCN1C(=O)c2c3n(c(-c4ccccc4)c2Cc5c(C)c(F)ccc5)ccc(Br)c3	2
+CC(C)(C)OC(=O)N1CCN(CC1)C2(CC2)C(=O)N3CC(S(=O)(=O)c4ccccc4Cl)CC3C(NC5(CC5)C#N)=O	348
+C1CN(CCN1)C2(Cc3cccc(Cl)c3)C(=O)Nc4cc(Cl)ccc24	2
+c1cc(ccc1Cl)CN2C=NC(N3CCNCC3)=NC2=O	2
+C1CN(CCN1)C2c3c(cccc3)CCCC2	2
+C1CN(CCN1)CC(N(C2CCc3ccc(cc3C2)OC)CCC)=O	2
+C1CN(CCN1CC(CNC(OCc2ccccc2)=O)O)C	352
+CC(C)(C)OC(N1CCN(CC1)CCCN=[N+]=[N-])=O	310
+CC(C)(C)OC(N1CCN(CC1)CCCCNC(c2cc3cnccc3[nH]2)=O)=O	81
+CC(C)(C)OC(N1CCN(CC1)CCCCN)=O	45
+CC(C)(C)OC(N1CCN(CC1)CCCN2C(C(c3c(c(OC)cc(OC)c3Cl)Cl)=Cc4c2nc(nc4)SC)=O)=O	7503
+CC(C)(C)OC(N1CCN(CC1)CCCNc2ncc(c(-c3cc4ccc(cc4s3)C(NC)=O)n2)C)=O	96
+CC(C)(C)OC(N1CCN(CC1)CCCN)=O	18
+CC(C)(C)OC(N1CCN(CC1)CCCI)=O	343
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCCN3CCN(CC3)C(=O)OC(C)(C)C	2666
+CC(C)(C)OC(N1CCN(CC1)Cc2sc3c(nc(nc3N4CCOCC4)-c5cnc(nc5)N)c2C)=O	2685
+C1CNCCN1Cc2c(cc(cc2)-c3cc(ncc3)C)F	2
+c1c(F)c(c(cc1)F)C(Nc2cn[nH]c2-c3[nH]c4ccc(cc4n3)CN5CCNCC5)=O	2
+FC1(F)C(CN2c3c(nc(-c4c(C)ccc(CN5CCNCC5)c4)cc3)N(S2(=O)=O)C)C1	2
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)C(C=Cc3cnc(C=CC(=O)O)cc3)=O)=O	4187
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)Nc3c(c(nc(n3)N4CCOCC4)C=CN(C)C)C(OCC)=O)=O	1693
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(cc5)CN6CCNCC6)s4)ncc3	2
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc3c(nc(-c4cc(N)ccc4)o3)n2)=O	0
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc3c(nc(o3)-c4cccc(c4)NC(=O)c5cccc(c5)N(C)C)n2	50
+CC(C)(C)OC(N1CCN(CC1)Cc2cnc(c(c2)B(O)O)F)=O	2698
+C1CN(CCN1)Cc2cc(cnc2)C(=O)OC	2
+C1CN(CCN1c2c(Br)cnc(N)c2[N+]([O-])=O)Cc3cscn3	7504
+n1cc(cnc1N)-c2nc3c(c(CN4CCNCC4)sc3c(n2)N5CCOCC5)C	2
+O=S(=O)(c1c2ccccc2ccc1)N3CCNCC3	2
+C1CNCCN1c2[nH]c(-c3cc(ncc3)Cl)cc2C#N	2
+C1CN(CCN1)c2c(C)cc(C)cn2	2
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(N3CC(C)OC(C)C3)cc2)C4CCC(C)(C)CC4)=O	79
+CC(C)(C)OC(N1CCN(CC1)c2c(c(ncn2)N)C=NOCC)=O	7505
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(cc2)C(=O)O)F)=O	1
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(N3C(=O)OC(CN=[N+]=[N-])C3)cc2)F)=O	133
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(OCc3ccccc3)ccc2NC(c4c5ccccc5ccc4)=O	50
+CC(C)(C)OC(N1CCN(CC1)c2c(ccc(NCc3ccccc3)c2CN)F)=O	107
+C1CNCCN1c2c(C=NOCC)c(ncn2)N	2
+C1CC1c2c(ncc(c2)C3CC3)N4CCNCC4	2
+C1CNCCN1c2c(cc(cn2)CC(CO)O)F	2
+C1CN(CCN1)c2ccc(N3CC(C)OC(C)C3)cc2C4CCC(C)(C)CC4	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2F)C(=O)NC(C)C)=O	14
+CC(C)(C)OC(N1CCN(CC1)c2c(F)cc(cc2)N3C(=O)OC(C3)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1CCN(CC1)c2c(C)cc(cn2)C)=O	4188
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(cn2)C(N(C)OC)=O)Cl)=O	1012
+CC(C)(C)OC(N1CCN(CC1)c2c(c(ccc2F)NCc3ccccc3)C#N)=O	60
+CC(C)(C)OC(N1CCN(CC1)c2c(cccc2)-c3ccc(cc3)CO)=O	41
+CC(C)(C)OC(N1CCN(CC1)c2ccccc2-c3ccc(cc3)COS(=O)(=O)C)=O	7
+C1CNCCN1c2c(cccc2[N+](=O)[O-])Cl	2
+CC(C)(C)OC(N1CCN(CC1)c2c(-c3ccccc3)cnc4c2c(OC)nn4Cc5ccc(cc5)OC)=O	7506
+CC(C)(C)OC(N1CCN(CC1)c2c(nc(Br)cn2)NN)=O	2839
+CC(C)(C)OC(N1CCN(CC1)c2ncc(Br)n3c2nnc3)=O	4189
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(Nc4nc(S(=O)(=O)C)nc(c4C#N)CC)C)=O	528
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(Nc4c(C#N)c(CC)nc(N)n4)C)=O	1408
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(C)Nc4c(C#N)c(CC)nc(n4)SC)=O	40
+C1CNCCN1c2cccnc2-c3ccc(cc3)F	2
+CC(C)(C)OC(N1CCN(CC1)c2c3c(ncc2-c4ccccc4)n[nH]c3I)=O	4190
+CC(C)(C)OC(N1CCN(CC1)c2c(cnc3c2c(I)nn3Cc4ccc(cc4)OC)-c5ccccc5)=O	7507
+CC(C)(C)OC(N1CCN(CC1)c2nc(-c3ccsc3)cn4c2nnc4)=O	7508
+CC(C)(C)OC(N1CCN(CC1)c2ncnc3n(c(Cl)nc23)C)=O	7509
+CC(C)(C)OC(N1CCN(CC1)c2cc(Br)cc3c2nc(cc3)C=O)=O	501
+CC(C)(C)OC(N1CCN(CC1)c2cc(C(N)=O)c(c(-c3cc(F)ncc3)n2)-c4ccccc4)=O	169
+CC(C)(C)OC(N1CCN(CC1)c2cc3nc(-c4c(I)ccnc4OC)[nH]c3c(C)c2)=O	1637
+CC(C)(C)OC(N1CCN(CC1)c2c(N)ccc(c2)OCc3ccccc3)=O	0
+CC(C)(C)OC(N1CCN(CC1)c2cc(ccc2OC)N)=O	0
+CC(C)(C)OC(N1CCN(CC1)c2cc(C)c(N)c(c2)N)=O	0
+CC(C)(C)OC(N1CCN(CC1)c2cc(C(O)=O)c(-c3ccccc3)c(n2)-c4ccnc(F)c4)=O	1
+CC(C)(C)OC(N1CCN(CC1)c2c(OC)ccc(c2)NS(=O)(=O)c3cccc(c3)OC(F)F)=O	69
+CC(C)(C)OC(N1CCN(CC1)c2nc(-c3cc(ncc3)Cl)c(-c4ccc(cc4)F)cc2)=O	89
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cn2)C#Cc3ncc(cc3)C(F)(F)F	943
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cc(C(=O)OC)cc2)N	0
+C[Si](C)(C)C#Cc1cnc(N2CCN(CC2)C(OC(C)(C)C)=O)cc1	1042
+CC(C)(C)OC(N1CCN(CC1)c2ccc(Nc3ncc4c(C)c(n(C5CCCC5)c4n3)C(=O)NNC(=O)C)nc2)=O	4191
+CC(C)(C)OC(N1CCN(CC1)c2ccc(Nc3nc4n(c(C(=O)O)c(c4cn3)C)C5CCCC5)nc2)=O	1
+C1CNCCN1c2ccc(cc2)-c3c4c5c(scc5)c(O)nc4ccc3OC	2
+c1cc(ccc1N2CCNCC2)-c3ccc(cc3)CNC(C(=O)NCC#N)CC(C)C	2
+CC(C)CC(Nc1ccc(cc1)-c2ccc(cc2)N3CCNCC3)C(NCC#N)=O	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)-c3ccc(cc3)CNC(C(=O)NCC#N)CC(C)C)=O	11
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)-c3ccc(cc3)NC(C(NCC#N)=O)CC(C)C)=O	11
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2)-c3c(cccc3)CC(C(NCC#N)=O)CC(C)C	11
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2)-c3ccc(Cl)c(N4C(C(NCC#N)=O)CC(C4)C)c3	11
+C1CN(CCN1)c2ccc(cc2)C(=O)O	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)C(=O)O)=O	6
+c1cc(ccc1C2=NCCO2)N3CCNCC3	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)Nc3nc4N(CC)C(C(c5sccn5)=Cc4c(C)n3)=O)=O	4169
+c1cc(ccc1N2CCNCC2)Nc3nc4N(CC)C(C(c5sccn5)=Cc4c(C)n3)=O	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)OCC(O)(C)CCOCc3ccccc3)=O	626
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)OCC(O)(CCO)C)=O	118
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)OCC(O)(CCOS(=O)(=O)c3ccc(cc3)C)C)=O	36
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)OCC(C)(CCn3c(Cl)nc([N+](=O)[O-])c3)O)=O	2840
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2C(O)=O)F)=O	1
+CC(C)NC(=O)c1cc(c(N2CCNCC2)cc1)F	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc3c(c(nn3CC(C)C)S(=O)(=O)c4c5c(ccc4)cccc5)c2)=O	2437
+CC(C)(C)OC(N1CCN(CC1)c2cccc3cc[nH]c23)=O	4192
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(-c3[nH]c4ccccc4n3)ccc2	4193
+c1cc(ccc1)Sc2c3c(c(ccc3)N4CCNCC4)[nH]c2	2
+CC(C)(C)OC(N1CCN(CC1)c2cccc3c2[nH]cc3Sc4ccccc4)=O	7510
+C1CNCCN1c2c3ccc(nc3ccc2)C	2
+CC(C)(C)OC(N1CCN(CC1)c2c(cccc2)-c3ccc(cc3)Cn4ccc5cc(F)ccc45)=O	4194
+C1CNCCN1c2c(N(S(=O)(=O)C)C)cccc2	2
+C1CN(CCN1)c2c(OCOCCOC)cccc2	2
+CC(C)(C)OC(N1CCN(CC1)c2c(nccc2)-c3ccc(cc3)F)=O	140
+CC(C)(C)OC(N1CCN(CC1)c2ccnc(n2)-c3c(F)c(ccc3)F)=O	345
+C1CN(CCN1)c2nc(ncc2)-c3c(F)c(ccc3)F	2
+C1CN(CCN1)c2cnc(Br)cc2	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(nc2)CCc3ccc(cc3)CO	4195
+CC(C)(C)OC(N1CCN(CC1)c2cnc(C=Cc3ccc(cc3)CO)cc2)=O	3443
+CC(C)(C)OC(N1CCN(CC1)c2nc(cnc2)OC)=O	799
+CC(C)(C)OC(N1CCN(CC1)c2cncc(n2)N(Cc3nc(C)ccc3)C)=O	317
+C1CNCCN1c2cncc(n2)N(Cc3nc(C)ccc3)C	2
+C1CNCCN1c2nc(cc(C(C)C)n2)Nc3ccc(cc3)C	2
+C1CNCCN1c2noc(C(C)C)n2	2
+CC(C)(C)OC(N1CCN(CC1)c2nc(nc(n2)O)Cl)=O	7511
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc(n2)N3CC4CCC(C3)O4)-c5ccc(cc5)N	1582
+C1CCCCC1Nc2nccc(-c3nc(cc(c3-c4ccccc4)C(N)=O)N5CCNCC5)c2	2
+C1CCCCC1Nc2nccc(-c3cccc(n3)N4CCNCC4)c2	2
+CC(C)(C)OC(N1CCN(CC1)c2nc(-c3cc(ncc3)Cl)ccc2)=O	1238
+C1CNCCN1c2nc(cnc2)OC	2
+C1CN(CCO1)c2nc(-n3c(nc4c(cccc34)OC)C(F)F)nc(n2)N5CCNCC5	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc(N(C)CCCc3ccc(cc3)Cl)n2)NCCc4ccc(cc4)O	387
+CC(C)(C)OC(N1CCN(CC1)c2nc(ncn2)O)=O	4196
+CC(C)(C)OC(N1CCN(CC1)C2=NC(=O)N(Cc3ccc(cc3)Cl)C=N2)=O	7512
+C1CN(CCN1)c2nc(O)c3CCCN(C)c3n2	2
+C1CN(CCO1)c2cncc(c2)Nc3c(C)c(nc4c3c(cc(F)c4)F)N5CCNCC5	2
+C1CN(CCN1)c2ccc(-c3nc(OC(C4CNC(=O)C4)C)c5c(c3)ncn5C)cn2	2
+C1CN(CCN1)c2ncc(cc2)[N+](=O)[O-]	2
+n1cc(cnc1N2CCNCC2)O	2
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cn2)OCc3cnc(nc3)Cl)=O	1897
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cn2)OCc3cnc(nc3)N)=O	911
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cn2)OCc3cnc(nc3)NC(C(C)C)=O)=O	784
+C1CNCCN1c2cc(ccn2)-c3c(F)c(F)ccc3	2
+C1CCCCN1c2c(nccn2)N3CCNCC3	2
+c1cc(ccc1-c2ncnc(N3CCNCC3)c2)F	2
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(-c3ccc(cc3)F)c2)=O	7513
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(NCC(=O)OCC)c2N)=O	193
+C1CN(CCN1)c2cc(O)ncn2	2
+c1cc(ccc1)-c2cc(N3CCNCC3)nnc2C#N	2
+CC(C)(C)OC(N1CCN(CC1)c2nnc(C#N)c(c2)-c3ccccc3)=O	2660
+c1cc(ccc1)CN2CCNC(C2)C	2
+CC(C)(C)OC(N1C(COC)CN(C(=O)c2cc(OC)c(c(c2)OC)OC)CC1)=O	76
+CC(C)(C)OC(N1CCN(CC2(CCN(CC2)c3ncncc3)O)C(=O)C1)=O	511
+C(=C)CN1CCNCC1=O	255
+CC(C)(C)OC(N1CCN(C(C2CNC2)=O)CCC1)=O	62
+C1C(CC1)N2CCCNCC2	2
+c1cc(N2CCCNCC2)ncc1Br	2
+CC(C)(C)OC(=O)N1CCNCC1CCCC	25
+c1cc(ccc1F)S(=O)(=O)N2C(C(OCC)=O)CNCC2	2
+C1CN(CCN1C(OCc2ccccc2)=O)c3ccc(cc3)N4CCNc5ccccc45	396
+CC(C)(C)OC(=O)N1CCN(C(CC)C1)c2ccc([N+]([O-])=O)nc2	244
+CC(C)(C)OC(N1CC(C(N(C)Cc2nc3c(cc2)SCC(N3)=O)=O)OCC1)=O	10
+CC(C)(C)OC(=O)N1CC(OCC1)C(NCCc2cc(c([N+]([O-])=O)cc2Cl)OC)=O	9
+CC(C)(C)OC(N1CC(C(=O)OCc2ccccc2)OCC1)=O	283
+CC(C)C1OCCNC1	2
+CC(C)(C)OC(=O)N1CC(OCC1)CNC(Nc2ccc(cc2)Cl)=O	282
+CC(C)(C)OC(=O)N1CCOC(C1)CNc2nc(Cl)cc3nccnc23	1679
+CC(C)(C)OC(N1CC(OCC1)Cn2cc(nn2)-c3nc(cc(C)c3)Nc4cc(C(F)F)ccn4)=O	2743
+CC(C)(C)OC(N1CCOC(Cc2ccc(cc2)O)C1)=O	16
+c1nc(ncc1Br)N2CC(Cn3c4nc(-c5cn(C)nc5)cnc4nn3)OCC2	4106
+CC(C)(C)OC(N1CC(C(OCC1)c2cc(Cl)c(Cl)cc2)COS(=O)(=O)C)=O	7
+c1nc(Nc2ncc(cc2)Cl)ccc1C3OCCNC3	2
+c1cc(ccc1-c2c3c(N)ncnc3n(C4COCCNC4)n2)Oc5ccccc5	2
+O=S(=O)(C1CC1)NCC2NCCOC2	2
+c1(-c2ccc(-c3ccc4OCCNCc4c3)cn2)ncc[nH]1	2
+CC(C)(C)OC(=O)N1CCc2c(c3c(c(cc(c3)C)C)n2C)C1	4197
+FC(F)(F)c1c2c(n[nH]1)CN(CC2)C	352
+CC(C)(C)OC(N1CCc2ccc(c(CSc3ccc(cc3)-c4nc(NCC5CC5)sc4)c2CC1)Cl)=O	607
+CC(C)(C)OC(N1CCc2c(CC1)ccc(Cl)c2CS)=O	7514
+c1ccccc1COc2cc3CCNCCc3cc2	2
+CC1(C)OB(OC1(C)C)c2ccc3CCN(C(OC(C)(C)C)=O)CCc3c2	425
+c1cc(ccc1NS(=O)(=O)C)-n2nc3c(c2)CCNCC3	2
+CC(C)(C)OC(N1CCc2c3c(n(CCN)c2CC1)cccc3)=O	18
+CC(C)(C)OC(N1CCc2c(CC1)n(c3c2cccc3)CCN=[N+]=[N-])=O	133
+CC(C)(C)OC(N1CCc2c(c3N(CCCc3cc2CC1)C(=O)C(C)C)Cl)=O	192
+CC(C)(C)OC(=O)N1CCc2onc(c2C1)C(O)=O	6
+CC(C)(C)OC(N1CCc2c(CC1)n(c3ccccc23)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1CCc2ccc(CCOS(=O)(=O)c3ccc(cc3)C)cc2C1)=O	36
+CC(C)(C)OC(N1CCc2c(cc(COS(=O)(=O)C)s2)C1)=O	7
+CC(C)(C)OC(N1CCc2ccc(cc2C1)C(O)=O)=O	1
+CC(C)(C)OC(N1CCc2c(c(Cl)c3NCCCc3c2)CC1)=O	15
+CC(C)(C)OC(N1CCc2ccc(-c3noc(-c4cc(c(OC(C)C)cc4)C#N)n3)c(C)c2CC1)=O	7515
+CC(C)(C)OC(N1CCc2ccc(c(c2CC1)N)O)=O	0
+C1C(CN1c2c3CCNCCc3nc4ccnn24)C(N5CC(C#C)CC5)=O	2
+c1cc(ccc1-c2sc3CNCCc3n2)OC4CC(C4)N5CCCCC5	2
+c1cc(cc2CCNc12)-c3cccc4c3c(nn4C)N	396
+CC(C)(C)OC(=O)N1c2c(cc(C(=O)O)cc2)CC1	1
+CC(C)(C)OC(N1CCc2c(c3c(cccc3)n2CCNC(=O)Nc4ccccc4)CC1)=O	282
+CC(C)(C)OC(N1CCc2n(CCNC(=O)c3ccccc3)c4ccccc4c2CC1)=O	93
+N1Cc2sc3ncc(c(Nc4cc(Cl)c(F)cc4)c3c2CC1)C#N	2
+CC(C)(C)OC(=O)N1Cc2n(c3c(cc(cc3)Br)c2CC1)C	144
+CC(C)(C)OC(N1CCc2c(c3c(cccc3)n2CCO)CC1)=O	665
+CC(C)(C)OC(N1CCc2c1ccc(-c3c4c(n(nc4N)C)ccc3)c2)=O	7516
+n1c2cc3c(cc2oc1C)CCNCC3	2
+CC(C)(C)OC(N1CCc2ccc(cc2C1)CCN3C=CC(OCc4ccccc4)=CC3=O)=O	7517
+CC(C)(C)OC(=O)N1CC2CN(Cc3ccccc3)c4c2c(ccc4Cl)CC1	507
+CC(C)(C)OC(=O)N1CCc2c(cc(OCC3CCN(CC3)c4ccncc4)cc2)C1	126
+CC(C)(C)OC(N1CCc2c(ccc(c2[N+]([O-])=O)O)CC1)=O	77
+CC(C)(C)OC(=O)N1CCc2ccc(Oc3ncc(C(NC)=O)cc3)cc2CC1	136
+CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Oc3ncc(Br)cc3	136
+CC(C)(C)OC(N1CCc2c(CC1)ccc(OCc3ccccc3)c2)=O	22
+c1cc(ccc1SCc2c3c(CCNCC3)ccc2Cl)-c4nc(NCC5CC5)sc4	2
+CC(C)(C)OC(N1CCc2c(ccc(c2C)C(N)=NO)CC1)=O	253
+CC(C)(C)OC(=O)N1CCc2c(CC1)ccc3oc(nc23)C	2794
+FC(F)(F)CCN1CCN(CC1)c2c(ccc(Cl)c2)NC(=O)c3ccc4c(c3)CN(C(OC(C)(C)C)=O)CC4	67
+CC(C)(C)OC(N1CCc2ccc(C(OCC3CCN(CC3)c4ccncc4)=O)cc2C1)=O	1533
+c1cc(ccc1)COC=2C=CN(CCc3ccc4CCNCc4c3)C(=O)C=2	2
+N1Cc2c3c(n(C)c2CC1)c(C)ccc3F	2
+C1COCCC1n2c3c(c(N4CCCc5c4cc(c(Br)c5)C#N)n2)CNCC3	2
+C1c2n3c(ccn3)ncc2CNC1	2
+c1cc(C#N)cc2C(c3nc4CCNCc4cc3)C(=O)Nc12	2
+O=S(=O)(C)c1nc(-c2c(Cl)cc(cc2)Cl)c3c(CCNC3)n1	2
+c1cc(ccc1C(=O)NC)-n2nc3c(c2)CCNCC3	2
+CC(C)(C)OC(N1CCc2nn(-c3ccc(cc3)C(=O)NC)cc2CC1)=O	14
+O=S(=O)(c1ccc(cc1)-n2cc3c(n2)CCNCC3)C	2
+CC(C)(C)OC(N1CCn2c(nc(c2C1)C(NC(CC(C)C)C(=O)NC)=O)Br)=O	4040
+CC(C)(C)OC(=O)N1Cc2c(c(nn2CC1)-c3cc(F)ccc3)C#N	4198
+Ic1cnn2CCNCc12	2
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(=O)Oc5ccccc5)=O	90
+CC(C)(C)OC(=O)N1C2COCC2n3nc(-c4cc(Cl)c(cc4)F)c(c3C1)C(N)=O	1196
+CC(C)(C)OC(N1Cc2n(CC1)c(Cl)cc2C(N)=O)=O	2148
+c1cc(ccc1)-c2n3CCCNCc3c(C(OCC)=O)n2	2
+C1CC1NC(Nc2ccc(cc2)-c3nc4c(CNC4)c(n3)N5CCOCC5C)=O	2
+C1CC1Nc2nc3CCNCc3cn2	2
+CC(C)(C)OC(N1CCc2c(cc(-c3ccccc3)s2)C1)=O	268
+c1cc(ccc1)-c2[nH]c(C3NCc4c(cccc4)C3)nc2	2
+C1CCCN1c2cnn3CCNCc23	2
+CCOC(=O)c1c2c(CCNC2)[nH]n1	2
+FC(F)(F)c1ccccc1C2CCN(CC2)C(=O)c3c4CN(C)CCCc4[nH]n3	352
+CC(C)(C)OC(N1Cc2c(c(-c3nn(C)nn3)c(NC(=O)C)s2)CC1)=O	1694
+CC(C)(C)OC(=O)N1Cc2c(c(Nc3cnc4c(c3)cccc4)ncn2)C1	2645
+N1Cc2ccc(N)cc2CC1	2
+CC(C)(C)OC(N1CCc2cc(C=O)ccc2C1)=O	39
+c1cc(ccc1-c2ccc3c(CNCCO3)c2)-c4n(ccn4)C(=O)OCC(C)C	2
+CC(C)(C)OC(N1Cc2c(CC1c3ncc(-c4ccccc4)[nH]3)cccc2)=O	2841
+CC(C)(C)OC(N1CCc2nc(C3c4cc(C#N)ccc4NC3=O)ccc2C1)=O	4117
+C1c2c(CN1)cnc(SC)n2	2
+CC(C)(C)OC(N1Cc2c(-c3ccc(cc3)N)nc(nc2C1)N4CCOCC4C)=O	0
+CC(C)(C)OC(=O)N1Cc2c(CC1)nc3ccc(C#N)cc3c2NCc4ccc(c(c4)Cl)OC	105
+CC(C)(C)OC(N1CCc2n(C)c3c(c(ccc3C)F)c2C1)=O	4197
+CC(C)(C)OC(N1CCc2c(C1)c3c(n2C)c(Sc4ccc(cc4)C)ccc3)=O	144
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C=CC(O)=CC4=O)=O	923
+FC(F)(F)c1ccc(nc1)COC2=CC(=O)N(C=C2)c3cc4c(cc3)c5CN(C(OC(C)(C)C)=O)CCc5n4C	7518
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C(=O)C=C(c5ccc(cc5OC)Cl)C=C4)=O	2793
+FC(F)(F)c1cnc(N2CCN(C(=O)C2)c3ccc4c5c(n(c4c3)C)CCN(C(OC(C)(C)C)=O)C5)cc1	2653
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C=CC(=CC4=O)OCc5ccccn5)=O	2027
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C(=O)C=C(OCc5ccccc5)C=C4)=O	2027
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C(C=C(C=C4)c5ccc(F)cc5OC)=O)=O	2793
+CC(C)(C)OC(=O)N1CCOc2ccc3n(cc(c3c2C1)Cl)S(=O)(=O)c4ccccc4	573
+CC(C)(C)OC(N1CCn2c(c(c(-c3cccc(c3)F)n2)I)C1)=O	1160
+O=S(=O)(CC)c1ccc(cc1)CNC(=O)c2ccc3c(c2)CNC3C(C)C	2
+CC(C)(C)OC(N1CCc2c(cc(CO)s2)C1)=O	2842
+CC(C)(C)OC(N1C(C(C)C)c2ncc(cc2C1)C(=O)NCc3ccc(cc3)S(=O)(=O)CC)=O	56
+C1CCCN1Cc2cc3CNCCc3s2	2
+C1CN(CCN1C(C2CCOCC2)=O)Cc3ccc4c(CCNC4)c3	2
+CC(C)(C)OC(N1CC(C)N2c3c(cccc3C1)C(CC2)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1Cc2cccc3n(cc(CC1)c23)S(=O)(=O)c4ccccc4)=O	367
+O=S(=O)(n1c2c3c(CNCCc3c1)ccc2)c4ccccc4	2
+CC(C)(C)OC(N1CCn2c(c(C(O)=O)nc2Br)C1)=O	1
+CC(C)(C)OC(=O)N1CC2N(C(C)C1)c3nc(ccc3C2)Br	7519
+CC(C)(C)OC(=O)N1Cc2n(CC1)c(c(c2C(OCC)=O)-c3cccc(c3)F)C#N	2843
+C1C2CC(CC(CC1)N2C(=O)c3nn4c(c3)CNCC4)C(OCC)=O	2
+CC(C)(C)c1ccccc1OCCN(C)C(=O)c2n[nH]c3c2CN(C3)C(=O)OC(C)(C)C	147
+FC(F)(F)c1ccccc1C2CCN(CC2)C(c3n[nH]c4CN(C(OC(C)(C)C)=O)Cc34)=O	147
+c1ccccc1OCc2nc3CNCCc3o2	2
+CC(C)(C)OC(=O)N1Cc2c(CC1)nc(I)[nH]2	7520
+CC(C)(C)OC(N1CCc2c3c(ncc(c3Nc4ccc(F)c(Cl)c4)C#N)sc2C1)=O	2844
+N1Cc2sc3c(c2CC1)c(ncn3)Cl	2
+CC(C)(C)OC(=O)n1c2c(cccc2c(n1)OC)F	7521
+CC(C)(C)OC(=O)N1CC(CCl)c2c3ccccc3c(cc12)[N+]([O-])=O	1507
+CC(C)(C)OC(N1c2c(CC1)ccc(N=C=S)c2C)=O	1695
+CC(C)(C)OC(N1CCc2ccc(c(C)c12)NC(NCCN)=S)=O	1167
+CC(C)(C)OC(N1c2cc(C(=NO)C)ccc2CCC1)=O	189
+CC(C)(C)OC(=O)N1CC(CO)c2c3c(c(OCc4ccccc4)cc12)nccc3	59
+CC(C)(C)OC(N1CC(c2c3c(c(OCc4ccccc4)cc12)nccc3)CCl)=O	7522
+CC(C)(C)OC(=O)N1c2c(C=C(C(=O)OC)CC1)cc(cc2)Br	7523
+c1cc(cc2CCCNc12)OCCCCN(CC=C)C	396
+CC(C)(C)OC(=O)N1c2c(CCC1)ccc(C(N)C)c2	840
+c1(cc2c(OCCN2)cc1)C=O	396
+CC(C)(C)OC(=O)N1CCC(C)(C)c2ccc(cc12)N	0
+CC(C)(C)OC(NC1=Nc2cc(Br)ccc2C=C(C1)C(=O)O)=O	7524
+c1cnccc1C2(N=C(c3c2cccn3)N)c4cc(ccc4)OCCC(C)C	7525
+CC(C)(C)OC(N=C1NC2(COC(CC2CS1)CO)c3c(F)ccc(N)c3)=O	0
+CC(C)(C)OC(NC(CCC)(CN)C)=O	51
+CC(C)(C)OC(NC(C(O)CCl)Cc1cc(F)cc(F)c1)=O	100
+CC(C)(C)OC(=O)NC(C=O)CC#CC	378
+CC(C)(C)OC(=O)NC(C(c1ccccc1)=O)CCC	832
+CC(C)(C)OC(NC(CCS(=O)(=O)C)C=O)=O	378
+CC(C)(C)OC(NC(Cc1cc(CCl)ccc1)C(=O)N(c2ccc(cc2)OC)C)=O	2845
+CC(C)(C)OC(=O)NC(CCCCNC(c1cc(C(=O)C)ccc1OCC#C)=O)C(=O)N	7526
+c1cc(ccc1CC(C(N)=O)N)I	84
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)C#N	143
+CC(C)(C)OC(=O)NC(C(=O)N1CC(O)CC1C(=O)O)C(C)CC(CCC=C)C	4
+CC(C)(C)OC(NC(C(=O)N1CCCC1C#N)Cc2c[nH]c3ccc(cc23)Oc4ccc(cc4)[N+](=O)[O-])=O	143
+CC(C)(C)OC(NC(C(C1CCC(CC1)NC)C)C(=O)N2CCC(F)C2)=O	25
+c1cc(ccc1[N+](=O)[O-])Oc2ccc3[nH]cc(c3c2)CC(N)C(N4C(C#N)CCC4)=O	84
+C1CN(CCN1c2nc(ccc2)C)C(C(N)CCCCNC(C=C)=O)=O	84
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2sc3cc(C(=O)O)ccc3n2)Cc4cccs4)=O	1
+C1CC(CCC1)CC(N)C(NC2C(O)CN(C(C)CC2)S(=O)(=O)c3ncccc3)=O	84
+CC(C)(C)OC(NC(C(NC1C(O)CN(CCC)C(CC1)C)=O)CC2CCCCC2)=O	61
+CC(C)(C)OC(NC(C(=O)NC1CCC(C)N(S(=O)(=O)c2ncccc2)CC1O)CC3CCCCC3)=O	2043
+CC(C)(C)OC(NC(C(=O)NC1CCC(C)NCC1O)CC2CCCCC2)=O	62
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)-c2cc(Cl)ccc2)c3n(nnn3)CCC#N	4199
+c1(cc(CCNC(=O)C(C(C)CC)N)ccc1OCc2cccc3ccccc23)OC	84
+c1cc(ccc1)CNC(=O)C(N)CO	84
+CC(C)(C)OC(=O)NC(COC)C(=O)NCc1ccccc1	1541
+n1c(C#Cc2cscn2)c3ccccc3cc1NC(C(C)N)=O	84
+CC(C)(C)OC(NC(C(=O)Nc1cc2ccccc2c(C#Cc3ncsc3)n1)C)=O	7527
+CC(C)(C)OC(NC(C(=O)N1C(C(=O)OC)CC(O)C1)C(C)CC(CCC=C)C)=O	478
+CC(C)(C)OC(NC(C(N1CC2CCCN2CC1c3ccn(Cc4ccc(cc4)F)n3)=O)C5CCCCC5)=O	10
+CC(C)(C)OC(NC(CC1CCCCC1)C(=O)Nc2sccn2)=O	373
+CC(C)(C)OC(NC(CC1CCCC1)C(=O)O)=O	1101
+CC(C)(C)OC(=O)NC(CO)CC=C	21
+CC(C)(C)OC(NC(C(=O)N(C)OC)CCC)=O	164
+CC(C)(C)OC(=O)NC(C(=O)O)COc1ccc(cc1[N+]([O-])=O)F	57
+CC(C)(C)OC(=O)NC(Cc1cc(C)cc(c1)C)C(=O)NCC#N	9
+CC(C)(C)OC(NC(C(=O)OC)C1CCC(CC1)N2C(=O)c3cccnc3C2)=O	7528
+CC(C)(C)OC(=O)NC(C(=O)OC)C1CCC(CC1)NC(=O)OCc2ccccc2	101
+C(C(=O)OC)(N)CCCc1[nH]cnc1	689
+CC(C)(C)OC(=O)NC(C(=O)O)Cc1cc(F)c(Cl)cc1	4
+CC(C)(C)OC(NC(C(=O)OC)Cc1ccc(cc1)OC(C)C)=O	313
+CC(C)(C)OC(=O)NC(C(OC)=O)Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC	22
+CC(C)(C)OC(=O)NC(C(=O)OC)Cc1ccc(cc1)Oc2ccc(cc2)Cl	304
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OC(C)C)C(=O)O	4
+CC(C)(C)OC(NC(C(=O)OC)Cc1ncc(CCCc2nc3NCCCc3cc2)cc1)=O	2826
+c12c(CCCN1)ccc(CCCc3cnc(cc3)CC(C(=O)OC)N)n2	689
+CC(C)(C)OC(NC(C(=O)OC1CCCC1)CCOc2cccc(c2)[N+]([O-])=O)=O	20
+CC(C)(C)OC(=O)NC(CC(C(C)C)Cc1ccc2c(c(OCCOC)ccc2)c1)CO	44
+CC(C)(C)OC(=O)NC(C(OCc1ccccc1)=O)CCC(=O)Nc2cc(c(cc2N)C)C	33
+CC(C)(C)OC(=O)NC(C(OCc1ccccc1)=O)CCC(=O)Nc2c(N)cc(c(Cl)c2)Cl	33
+CC(C)(C)OC(NC(CCc1nc2c(cc(C)c(c2)C)n1-c3ccc(cc3)C)C(=O)OCc4ccccc4)=O	2846
+CC(C)(C(N)CN1C(=O)c2ccccc2C1=O)c3ccccc3	12
+CC(C)(C)OC(NC(c1[nH]c2c(n1)ccc(C(C)(C)C)c2)C(C)C(N)=O)=O	83
+CC(C)(C)OC(NC(C(C)C(=O)O)c1[nH]c2ccc(cc2n1)C(C)(C)C)=O	4
+CC(C)(C)OC(NC(C(C)C)C(O)CC(=O)OC)=O	770
+CC(C)C(N)C(C(=O)NC1CCCCNC1=O)O	12
+CC(C)(C)[Si](C)(C)OC(C(C(C)C)NC(=O)OC(C)(C)C)CC(=O)OC	19
+CC(C)(C)OC(=O)NC1C(C)CC(CCC=CC2C(NC(C3N(CC(O)C3)C1=O)=O)(C(NS(=O)(=O)C4CC4)=O)C2)C	2463
+CC(C)(C)OC(NC(C(C)OCc1ccccc1)C(O)=O)=O	149
+CC(C)(C)OC(NC(C(C)OCc1ccccc1)C(OCc2ccccc2)=O)=O	283
+c1ccccc1COC(C(N)C(C)OCc2ccccc2)=O	689
+CC(C)(C)OC(=O)NC(C(N=[N+]=[N-])C)CC1CCCCC1	298
+CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C)C2CCC(CC2)N(C)C(=O)C)=O	10
+CC(C)(C)[Si](C)(C)OC(C(Cc1ccccc1)NC(=O)OC(C)(C)C)CC(C(O)=O)Cc2cccc(c2)F	19
+C1C(CN1C(C(C(C)CC)NC)=O)O	352
+CC(C)(C)OC(=O)NC(C(C)CC)CN1CC(C1)O	15
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C2OC2	2080
+CC(C)(C)OC(NC(C(CN(Cc1cc(ccc1)C(C)C)C(OCc2ccccc2)=O)O)Cc3cc(ccc3)CC=C)=O	66
+CC(C)(C)OC(=O)NC(C(C)C)C(=O)N(CC(=O)O)CC1CCCCC1	4
+CC(C)(C)OC(=O)NC(C(N(c1ccc(cc1)OC)C)=O)Cc2cccc(c2)C=C	2847
+CC(C)(C)OC(=O)NC(CN)C	15
+CC(C)(C)OC(NC(C)C#N)=O	143
+C1CCCCC1C(N)C(N2CC3N(CCC3)CC2c4nn(cc4)Cc5ccc(cc5)F)=O	84
+CC(C)C(N)C(=O)N1CCC1	84
+c1cc(ccc1OC)CC(C(=O)NC(CC2=CCCC2)C(=O)C3(CO3)C)NC(=O)C(CC#N)N	84
+C1CC(CCC1)CC(C(NC2C(O)CN(CCC)C(CC2)C)=O)N	84
+CC(C)CC(C(NC1CCCN(CC1O)C(=O)OCc2ccccc2)=O)N	84
+CC(C)(C)OC(NC(C(Nc1cc2ccccc2c(n1)C#C[Si](C)(C)C)=O)C)=O	961
+CC(C)(C)OC(NC(C(=O)Nc1nc(C#C)c2c(cccc2)c1)C)=O	75
+CC(C)(C)OC(=O)NC(C(OC)=O)C(C)C	325
+CC(C)(C)OC(=O)NC(C(C)C)C(=O)N1CCCC1Cc2c(CCC(OCC)=O)oc3c2cccc3	10
+CC(C)(C)OC(=O)NC(C(NCCc1cc(OC)c(OCc2ccccc2)cc1)=O)C(C)C	9
+CC(C)(C)OC(=O)NC(C(C)C)C(=O)N(C(CC(C)C)C(NC(C(Cc1ccccc1)=O)C)=O)C	348
+CC(C)(C)OC(=O)NC(C(=O)F)C(C)C	7529
+CC(C)(C)OC(NC(C(NC(C(=O)NC(CC=1CCCC=1)C(=O)C2(CO2)C)Cc3ccc(cc3)OC)=O)CC#N)=O	207
+CC(C)(C)OC(NC(CC(C)C)C(NC(C(=O)OC)CC(C)C)=O)=O	188
+CC(C)(C)OC(=O)NC(C(=O)NC(C(=O)OC)Cc1c2ccccc2[nH]c1)CC(C)C	188
+CC(C)(C)OC(NC(C(Nc1ccc(cc1)CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O)=O)CC(C)C)=O	33
+CC(C)(C)OC(=O)NC(C(=O)OC)CC(CCOCC=C)C	325
+CC(C)(C)OC(NC(C(NCC(OCC)=O)=O)CCl)=O	188
+CC(C)(C)OC(NC(CO)COC)=O	21
+CC(C)(C)OC(NC(Cc1c(C)cc(cc1C)O)C(=O)N(C(C)C)C(C)c2nc(-c3ccccc3)c[nH]2)=O	10
+CC(C)(C)OC(NC(c1nc2c(cccc2)[nH]1)Cc3ccc(cc3C)OC)=O	442
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC)CO	21
+CC(C)(C)OC(NC(C(O)=O)Cc1ccc(cc1)Oc2c(CCC(=O)OC)cccc2)=O	159
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2c(CCC(=O)OC)cccc2)C(N(C)C)=O)=O	10
+CC(C)(C)OC(=O)NC(C(N)=O)Cc1ccc(cc1)S(=O)(=O)c2ccccc2	83
+c1cc(ccc1)CC(C(O)C(O)=O)N	12
+OC(C(C(=O)NCC)N)C	84
+CC(C)(C)[Si](C)(C)OC(CC(C(O)=O)Cc1ccc(cc1)OC)C(Cc2ccccc2)NC(=O)OC(C)(C)C	19
+CC(C)(C)OC(=O)NC(C1CO1)Cc2cc(F)cc(F)c2	2080
+c1(cc(cc(F)c1)CC(C(O)CNCc2cc(ccc2)OC)N)F	12
+CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)CCCCN(CC(CCl)O)C(OCc1ccccc1)=O	66
+CC(C)(C)OC(=O)NC(C)(C)c1sc(c(-c2c(c(ccc2)NC(OCC=C)=O)F)n1)-c3nc(Cl)ncc3	873
+CC(C)(C)OC(NC(C)(C)C(NC(=O)c1ccc2cc(C#CC3C(C3)CO)ccc2c1)C(=O)OC)=O	259
+CC(C)(C)OC(=O)NC(C)(C)C#N	143
+CC(C)(C)OC(NC(C)(C)C(=S)N)=O	199
+CC(C)(C(NC(=O)c1cc2ccc(cc2cc1)C#CC3C(C3)CO)C(OC)=O)N	12
+CC(C)(C)OC(NC(C)(C)C(N)=O)=O	1360
+CC(C)(C)OC(=O)NC(C)(C)C(=O)N(OC)C	164
+CC(C)(C)OC(NC(C)(C)C(Nc1cccc(NS(=O)(=O)c2ccc(-c3ccc(C)o3)c(c2)F)c1)=O)=O	33
+CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1cnc(nc1)Oc2cccc3OCC(C)(C)c23	1681
+CC(C)(C)OC(NC(C)(C)CNc1c(ccc(c1)F)Cl)=O	291
+CC(C)(C)OC(=O)NC(C)(C)CNCC(=O)OC	1315
+CC(C)(C)OC(=O)NC(C)(C)CNc1c(C)cccc1	291
+CC(C)(C)OC(NC(C)(C)CC(NC1C(=O)Nc2c(c3ccccc3cc2)CC1)=O)=O	207
+CC(C)(C)OC(N1C(C)(C)CN(C(=O)C1)c2c(Cl)ccc(F)c2)=O	7530
+CC(C)(C)OC(NC(C)(C)Cn1c(nc2cnc3ccc(OCc4ccccc4)cc3c12)COCC)=O	546
+CC(C)(C)OC(NC(C)(C)CNc1c(cnc2ccc(OCc3ccccc3)cc12)N)=O	13
+CC(C)(C)OC(NC(C)(C)C=O)=O	24
+CC(C)(C)OC(NC(C)(C)COc1ccc(cc1)C=O)=O	1295
+CC(C)(C)OC(NC(C)(C)Cc1c2c(c(O)ccc2)[nH]c1)=O	321
+CC(C)(C)OC(NC(C)(C)Cc1c2cccc(c2[nH]c1)Oc3c(cccn3)C#N)=O	7531
+CC(C)(Cc1cc(C(=O)OC)ccc1)N	12
+c1ccccc1COc2ccc3c(c2)c4c(nc(COCC)n4CC(C)(C)N)cn3	12
+CC(C)(C)OC(=O)NC(C=O)(C)c1cc(Br)ccc1	24
+CC(C)(C)OC(NC(C)C(N)=NO)=O	609
+CC(C)C(C(=O)N1C(Cc2c(CCC(OCC)=O)oc3c2cccc3)CCC1)NC(C(N)C)=O	84
+CC(C)(C)OC(NC(C)C(=O)NC(C(=O)N1C(Cc2c(CCC(OCC)=O)oc3c2cccc3)CCC1)C(C)C)=O	207
+CC(C)(C)OC(=O)NC(C(Nc1cnc(nc1)Oc2cccc(C(C)C)c2)=O)C	1681
+CC(C)(C)OC(NC(C(N)=O)C)=O	83
+CC(C)(C)OC(=O)NC(c1onc(n1)C)C	1166
+CC(C)(C)OC(=O)NC(C1=Nc2c(c(ccc2)Cl)C(N1c3cc(C#N)ccc3)=O)C	7532
+CC(C)(C)OC(NC(C(Nc1cc2c(cccc2)c(Br)n1)=O)C)=O	142
+CC(C)(C)OC(=O)NC(C)C(=O)Nc1cc(Cl)cc(C#Cc2ccccc2)n1	142
+CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(cc1)Oc2cc3c(COC3)cc2)C	33
+CC(C)(C)OC(=O)NC(C)C(NC(Cc1ccc(cc1)OC)C(=O)NC(CC2=CCCC2)C(=O)C3(CO3)C)=O	207
+CC(C)(C)OC(NC(C(NCc1nc(c2c(cccc2)n1)N(c3ccc(cc3)OC)C)=O)C)=O	9
+CC(C)(C)OC(NC(C)C(Nc1cccc(Cl)c1C(Nc2ccccc2)=O)=O)=O	33
+CC(C)(C)OC(=O)NC(C(c1ccc(cc1)CC)=O)C	586
+CC(C)(C)OC(NC(C)C(=N)NOC(=O)C)=O	7533
+CC(C)(C)OC(NC(C)C=1N(C(c2c(cccc2N=1)Cl)=O)c3ccccc3)=O	2796
+c1ccccc1N2C(C(C)N)=Nn3c(c(cc3)C)C2=O	12
+CC(C)(C)OC(=O)NC(CCCOc1c(-n2nc(nc2)C)ccc(c1)[N+]([O-])=O)C	8
+CC(C)(C)OC(NC(C)COC1CCN(CC1)c2nc3c(cc(O)cc3)o2)=O	2600
+c1cc(ccc1-c2oc3c(cnc(OCC(C)NC(C)=O)c3)n2)OCCC4CC4(F)F	7534
+CC(C)(C)OC(NC(C)COc1cc2oc(nc2cn1)-c3ccc(cc3)O)=O	16
+CC(C)(C)OC(NC(C)COc1cc2oc(-c3ccc(cc3)OCCC4CC4(F)F)nc2cn1)=O	262
+CC(C)(C)OC(NC(C)COc1cc2oc(-c3ccc(cc3)OCc4ccccc4)nc2cn1)=O	7535
+CC(C)(C)OC(NC(C)c1c(OC)c(c(C)c(c1)Cl)-c2cnc(cc2)C(=O)O)=O	1696
+CC(C)(C)OC(NC(C)c1c(c(-c2cnc(C(=O)N(C)C)cc2)c(C)c(c1)Cl)OC)=O	147
+CC(C)(C)OC(NC(c1c(c(c2c(n1)ccc(c2)F)C(NC(C)C)=O)-c3ccccc3)C)=O	14
+c1cc2nc(C(C)N)c(c(-c3nnc(o3)C)c2cc1F)-c4ncccc4	12
+FC(F)(F)c1cc2c(cc1)nc(-c3cc(on3)C(C)N)[nH]2	12
+CC(C)(C)OC(NC(C)c1nc2cccnc2c(C(NC)=O)c1-c3ccccc3)=O	56
+c1cc2nc(C(C)N)c(c(-c3nc(C)no3)c2cc1F)-c4ncccc4	12
+CC(C)(C)OC(=O)NC(C)c1c(-c2ncccc2)c(C(=O)NNC(C)=O)c3cc(ccc3n1)F	2524
+c1ccccc1-c2c(c3c(nc2C(C)N)cccn3)C(NC)=O	12
+CC(C)(C)OC(NC(c1onc(C(O)=O)c1)C)=O	6
+C1CC1N2C(c3c(cccc3Cl)N=C2C(N)C)=O	12
+CC(C)(C)OC(=O)NC(C1CCN(C(C(=O)N)C1)C(=O)OCc2ccccc2)CC	1827
+CC(C)(C)OC(=O)NC(C1CC(Cc2ccc(OC)cc2OC)C(=O)O1)Cc3ccccc3	2494
+CC(C)(C)OC(=O)NC(C1OC(C(Cc2ccc(cc2)OC)C1)=O)Cc3ccccc3	4121
+CC(C)(C)OC(NC(C(=O)OC)C1CCC(CC1)N)=O	18
+CC(C)(C)OC(NC(C1CCC(CC1)N=[N+]=[N-])C(=O)OC)=O	298
+C1CC(CCC1)C(N)C(=O)N2C(CCC2)c3cc(ncc3)-n4cnc5ccccc45	84
+C1COCCC1C(N)C(=O)N2C(Cc3cccnc23)C(=O)OCC	84
+CC(C)(C)OC(=O)NC(C1=C(c2cc(ccc2)F)C(N3C(SC=C3C)=N1)=O)C	1100
+CC(C)(C)OC(NC(Cc1ccccc1)(C)C=NO)=O	410
+CC(C)(C)OC(=O)NC(C1CO1)CC(Cc2ccc3c(c(OCCOC)ccc3)c2)C(C)C	7536
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC)C=NO	410
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2ccc(cc2)Cl)CNO)=O	7537
+CC(C)(C)OC(=O)NC(COc1c(cc(N)cc1)-c2n(C)ncc2)C	8
+c1ccccc1C(N)CC#C	12
+CC(C)(C)OC(NC(CCN)C)=O	51
+CC(C)(C)OC(NC(CC(=O)N(OC)C)C1CCCCC1)=O	164
+CC(C)(C)OC(=O)NC(c1cccc(c1Cl)Cl)CCO	21
+CC(C)(C)OC(NC(CC(O)=O)Cc1c(F)ccc(c1)F)=O	3
+CC(C)(C)OC(=O)NC(C(=O)C(COS(=O)(=O)c1c(cc(cc1C)OCC(OCc2ccccc2)=O)C)(C)O)CC(C)C	1226
+CC(C)(C)OC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)CC(C)C	4
+CC(C)(C)OC(=O)NC(CC#N)c1ccc(cc1)-c2ccccc2	143
+CC(C)(C)OC(=O)NC(Cc1c(F)cccc1)CC(=O)ON2C(CCC2=O)=O	884
+CC(C)(C)OC(=O)NC(CC(O)=O)c1ccccc1Cl	4
+CC(C)(C)OC(=O)NC(C)(C(Nc1cnc(nc1)Oc2c3C4(CC4)CCOc3ccc2)=O)CC	1681
+CC(C)(C)OC(=O)NC(C)(C(=O)Nc1ccc(nc1)Oc2cccc3OCC(C)Cc23)CC	469
+CC(C)(C)OC(=O)NC(CCc1ccc(cc1)OCCCCc2ccccc2)(COC(=O)C)CC	116
+CC(C)(C)OC(NC(CC)(COC(C)=O)CCc1ccc(cc1)O)=O	16
+FC(F)(F)c1cccc2c1nc(c(C(Nc3nccs3)=O)c2O)C(CC)NC(=O)OC(C)(C)C	7538
+CC(C)(C)OC(NC(CC)C(O)c1nc2c(o1)cccn2)=O	7539
+CC(C)(C)OC(=O)NC(CC)COS(=O)(=O)C	7
+CC(C)(C)OC(NC(CC1CCCC1)C(=O)N(C)OC)=O	164
+C1CCCCC1CC(N)C(Nc2nccs2)=O	84
+CC(C)(C)OC(NC(CC1CCCCC1)C(NC(OCc2ccccc2)=O)C)=O	101
+CC(C)(C)OC(NC(C(C)OS(=O)(=O)C)CC1CCCCC1)=O	7
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	101
+CC(C)(C)OC(NC(CC1CCCOC1)CN)=O	18
+CC(C)(C)OC(NC(CC1CCCOC1)CN=[N+]=[N-])=O	254
+CC(C)(C)OC(NC(CC1CCCOC1)COS(=O)(=O)c2ccc(cc2)C)=O	36
+CC(C)(C)OC(=O)C(CCCO)NC(=O)OC(C)(C)C	21
+CC(C)(C)OC(=O)NC(CCC(OC)=O)CO	21
+CC(C)(C)OC(NC(CSc1ccc(cc1)Cc2ccccc2)CCC(=O)OC3CCCCC3)=O	636
+CC(C)(C)OC(=O)NC(CCC)(C)CNC(=O)c1c(C)nn2c(cc(cc12)C)OCc3c(F)cccc3Cl	597
+CC(C)(C)OC(=O)NC(C)(CNC(=O)c1c(C)nn2c(OCc3c(F)cccc3F)cccc12)CCC	597
+c1ccccc1C(c2ccccc2)C(NC(OC)=O)C(NC(C)CCCC(C(OCC)=O)NC(=O)OC(C)(C)C)=O	1280
+CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)CCCCN(Cc1ccccc1)CC(O)CCl	170
+C(N)(CCCN=C(N[N+](=O)[O-])N)C(=O)O	7540
+CC(C)(C)OC(NCCNC(CC(CCCNC(OCc1ccccc1)=O)NC(=O)OC(C)(C)C)=O)=O	9
+CC(C)(C)OC(NC(CCCc1ccccc1CO)Cc2ccccc2)=O	88
+CC(C)(C)OC(NC(CCNCC(C)C)C)=O	110
+C1C(CN1CCC(N)COC)Oc2ccc(cc2)Cl	12
+CC(C)(C)OC(=O)NCCC(CO)NC(OC(C)(C)C)=O	21
+CC(C)(C)OC(NC(CC=O)(c1c(F)cc(c(Br)c1)F)C)=O	24
+CC(C)(C)OC(NC(CCOC)(CCOC)CN)=O	51
+CC(C)(C)OC(=O)NC(CCOC)(CCOC)CNC(OCC1c2ccccc2-c3ccccc13)=O	2834
+CC(C)(C)OC(=O)NC(CNCc1cc(Cl)ccc1)CCS(=O)(=O)C	110
+CC(C)(C)OC(=O)NC(CCSCCCOS(=O)(=O)c1ccc(cc1)C)C(OC(C)(C)C)=O	36
+CC(C)(C)OC(=O)NC(CCC(=O)O)(CCc1ccc(cc1)OCCCCCCC)C	783
+c1ccccc1CCC(C(OCC=C)=O)N	689
+CC(C)(C)OC(=O)NC(CNC(=O)CNc1sc(C=O)cn1)C(=O)OC	9
+CC(C)(C)OC(NC(CNC(=O)C(NC(OCc1ccccc1)=O)C(C)C)C(C)C)=O	9
+CC(C)(C)OC(NC(CNc1nc(ncc1)-c2cc(Br)ccc2O)CC)=O	40
+CC(C)(C)OC(=O)NC(CCNC(=O)OC(C)(C)C)CN	18
+c1ccccc1COC(NC(C(C)C)C(NCC(C(C)C)N)=O)=O	12
+CC(C)(C)OC(NC(CNC(=O)C1CC(CN1)O)CCCCNC(=O)OC(C)(C)C)=O	679
+C[Si](C)(C)CCOC(N(CC(NC(OC(C)(C)C)=O)CC1(CCCCC1)F)C)=O	613
+c1c(cc(-c2nccc(NCC(CC)N)n2)c(c1)O)Br	12
+OCC(CO)(N)c1oc2c(cc(cc2)-c3noc(n3)-c4cc(Cl)c(cc4)OCCC)c1	12
+CC(C)(C)OC(=O)NC(CO)CNCCN	15
+CC(C)(C)OC(NC(C=O)C(C)C)=O	24
+CC(C)(C)OC(=O)NC(COCc1ccccc1)C(C)C	149
+CC(C)(C)OC(=O)NC(C)Cn1c2ncnc(N)c2c(I)n1	7541
+CC(C)(C)OC(=O)NC(COS(=O)(=O)C)C	7
+CC(C)(C)OC(NC(COc1cc2OC(c3c(-c2cc1)ccnc3NC(C)=O)C)CC(C)C)=O	556
+CC(C)(C)OC(=O)NC(COS(=O)(=O)C)CC(C)C	7
+CC(C)(C)OC(N1C(C)(C)OCC1CC(CC=C)CO)=O	2797
+CC(C)(C)OC(NC(COS(=O)(=O)C)CC1(CCCCC1)F)=O	7
+CC(C)(C)OC(NC(CC=C(F)F)COc1ccc2-c3ccnc(C)c3C(=O)N(C)c2c1)=O	556
+CC(C)(C)OC(=O)NC(CCc1ccc(cc1)Br)C=O	24
+CC(C)(C)OC(=O)NC(COC)CN=[N+]=[N-]	600
+CC(C)(C)OC(=O)NC(COS(=O)(=O)c1ccc(cc1)C)Cc2ccccc2	36
+CC(C)(C)OC(NC(COC(F)F)C(=O)NCc1ccc(cc1)F)=O	9
+CC(C)(C)OC(NC(COC)CNc1cc(c(C(OC)=O)c(Nc2cc(ccc2)C)n1)C#N)=O	70
+CC(C)(C)OC(=O)NC(C(=O)NC(C(NC(C(=O)OC)C(C)C)=O)C(C)C)COCC=C	207
+CC(C)(C)OC(NC(CNC)CC1(CCCCC1)F)=O	285
+CC(C)(C)[Si](C)(C)OCC(N(C)C(OC(C)(C)C)=O)CC=C	397
+CC(C)CC(N)COc1cc2OC(c3c(-c2cc1)ccnc3NC(C)=O)C	12
+C1CC(CCC1)OC(=O)CCC(CSc2ccc(cc2)Cc3ccccc3)N	12
+C1CC(CCC1)CC(NC(=O)C(Cc2c[nH]cn2)N)C(O)CCC(C)C	84
+CC(C)(C)OC(=O)NC(Cc1c(F)ccs1)C(NC2(CC2c3ccccc3)C#N)=O	143
+O=S(=O)(C)Oc1ccc2[nH]cc(c2c1)CC(C(N3C(CCC3)C#N)=O)N	84
+CC(C)(C)OC(NC(Cc1c2cc(OS(=O)(=O)C)ccc2[nH]c1)C(=O)N3CCCC3C#N)=O	143
+CC(C)CC(C(N(C)C(CCCC)C(N)=O)=O)NC(C(Cc1c2ccccc2[nH]c1)N)=O	84
+CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N	83
+CC(C)(C)OC(NC(Cc1c[nH]c2c1cccc2)C(OCc3ccccc3)=O)=O	283
+CC(C)(C)OC(=O)NC(C(OCc1ccccc1)=O)Cc2c3ccccc3n(c2)CC(OCC)=O	256
+CC(C)(C)OC(NC(Cc1c2cc(OS(=O)(=O)C)ccc2[nH]c1)C(=O)N3CCCC3C(N)=O)=O	444
+CC(C)(C)OC(NC(C(=O)N1C(CCC1)C(=O)N)Cc2c[nH]c3ccc(cc23)Oc4ccc(cc4)[N+](=O)[O-])=O	46
+CC(C)(C)OC(=O)NC(CO)Cc1ccc(c(Cl)c1)O	95
+CC(C)(C)Cc1nc(C2(CC2)NCC(O)C(Cc3cc(F)cc(c3)F)N)cs1	12
+CC(C)(C)OC(NC(c1ncc(N)cc1Br)Cc2cc(F)cc(F)c2)=O	7542
+CC(C)(C)OC(=O)NC(C(N(c1ccc(cc1)OC)C)=O)Cc2cc(ccc2)C=O	1295
+CC(C)(C)OC(NC(C(OCc1ccccc1)=O)Cc2cc(OC)c(O)cc2)=O	283
+CC(C)(C)OC(NC(Cc1ccc(cc1)-c2cn3cccc(C(O)C)c3n2)CCO)=O	440
+c1cc(ccc1CC(N)C(N2CCN(CC2)c3ccccc3CN(C)C)=O)Cl	84
+CC(C)(C)OC(NC(Cc1ccc(cc1)Cl)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(NC(Cc1ccc(cc1)Cl)CCn2ncc(-c3cc4c(cncc4)cc3)c2)=O	1593
+c1cc(ccc1Cl)CC(N)CCn2ncc(-c3cc4c(cncc4)cc3)c2	12
+C1CC(CCC1)C2(CCN(CC2)C(C(Cc3ccc(cc3)OC)N)=O)C(=O)CCC	84
+c1cc(ccc1OC)CC(C(=O)NC(CC=2CCCC=2)C(C3(CO3)C)=O)N	84
+CC(C)(C)OC(NC(Cc1ccc(cc1)OCCN=[N+]=[N-])C(=O)OC)=O	310
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCCN=[N+]=[N-])C(=O)O	4
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2c(cccc2)CCC(=O)O)C(N(C)C)=O)=O	4
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2c(cccc2)CCC(=O)NO)C(N(C)C)=O)=O	1697
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2c(cccc2)CCC(=O)NOCc3ccccc3)C(N(C)C)=O)=O	293
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)Oc2ccc(cc2)C=O)C(=O)N(C)C	10
+c1(cccc(Cl)c1-c2ccc3c(ccc(CC(C(=O)OC)N)c3)n2)Cl	689
+CC(C)(C)OC(=O)NC(Cc1ccccc1)(c2oc(nc2)-c3cc(Cl)nc(c3)N(S(=O)(=O)C)C)C	7543
+CC(C)(C)OC(NC(C=O)(C)Cc1ccccc1)=O	24
+c1cc(ccc1)CC(C(NC(CCCNC(N[N+]([O-])=O)=N)C(=O)O)=O)N	84
+CC(C)(C)OC(NC(CO)Cc1ccccc1)=O	21
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N(C)C	10
+CC(C)(C)OC(=O)NC(C(=O)N)Cc1ccccc1	83
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N(C)OC	164
+CC(C)(C)OC(NC(CCCc1c(COC)cccc1)Cc2ccccc2)=O	49
+CC(C)(C)OC(=O)NC(Cc1cnccc1)C(=O)N	83
+CC(C)(C)OC(NC(Cc1cnccc1)CN2CCC(CC2)C(c3ccc(cc3)F)=O)=O	28
+c1cc(ccc1F)C(C2CCN(CC2)CC(Cc3cccnc3)N)=O	12
+CC(C)(C)OC(NC(C)c1nc2c(cc(F)cc2)c(-c3nc(C)no3)c1-c4ccccn4)=O	7544
+c1(cc(ccc1)C#CCC(N)c2cccc(C)c2C)C	12
+CC(C)(C)OC(NC(C)c1c(OC)c(-c2ccc(C#N)nc2)c(C)c(c1)Cl)=O	391
+CC(C)(C)OC(NC(c1ccc(c(Cl)c1)Cl)CCC#N)=O	1409
+[N-]=[N+]=NCC(c1cc(ccc1)Br)N	12
+c1c(OC)ccc2c(ccnc12)OCc3nnc4n3nc(-c5cc(Cl)c(cc5)C(C)N)cc4	12
+CC(C)(C)OC(NC(CC(N)=O)c1ccc(cc1)-c2ccccc2)=O	83
+CC(C)(C)OC(=O)NC(CCNS(=O)(=O)C)c1ccc(cc1)Cl	111
+c1cc(ccc1OCC(C)CCC)C(N)CN=[N+]=[N-]	12
+c1ccccc1C(C(NC2CCCC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C2)=O)N	84
+CC(C)(C)OC(NC(c1ccccc1)CCO)=O	21
+CC(C)(C)OC(NC(CC#C)c1ccccc1)=O	7545
+CC(C)(C)OC(NC(c1ccccc1)CC=O)=O	24
+CC(C)(C)OC(NC1c2ccnc(-c3n(ncc3NC(C(C=CC1)C)=O)C(F)F)c2)=O	4123
+CC(C)(C)OC(NC(c1cc(-c2c(cnn2C(F)F)N)ncc1)CC=C)=O	209
+CC(C)(C)OC(NC(C)c1c(c(c2c(ccc(F)c2)n1)C(=O)O)-c3ccccc3)=O	1
+c1(c(C)cc(OC)cc1)CC(N)c2nc3c([nH]2)cccc3	12
+CC(C)(C)OC(=O)NC(c1n(Cc2ccccc2)cc(-c3cc(ccc3F)F)n1)C4CCOCC4	371
+c1c(cnc(C(C)N)c1F)F	12
+CC(C)(C)OC(NC(C)c1cc(no1)-c2[nH]c3c(ccc(c3)C(F)(F)F)n2)=O	4200
+CC(C)(C)OC(=O)N(C)Cc1c(cccc1Br)[N+]([O-])=O	7546
+CC(C)(C)OC(=O)NC1(CC#Cc2nc(ccn2)-c3ccc(cc3)C(F)(F)F)C(=O)N(CC1)C	1467
+CC(C)(C)OC(=O)NC1(C(=O)N(CC1)C)CC#Cc2nc(cc(n2)C)-c3ccc(cc3)C(F)(F)F	1467
+CC(C)(C)OC(NC1(C(OC)=O)CC1CC)=O	732
+CC(C)(C)[Si](C)(C)OC1C(NC(OC(C)(C)C)=O)(CCC1)C=O	59
+CC(C)(C)OC(=O)NC1(C(O)=O)C(CC)C1	4
+CC(C)(C)OC(=O)NC1(CC(C1)O)C2CC(N(Cc3ccccc3)C2)=O	118
+CC(C)(C)OC(NC1(CC(C1)OCc2ccccc2)C3CC(=O)N(Cc4ccccc4)C3)=O	4183
+CC(C)(C)OC(=O)NC1(CC1)C(=O)NCc2ccc(cc2)-n3c4c(c(Cl)c3-c5noc(n5)C)cccc4	9
+CC(C)(C)OC(NC1(CC1)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)NC1(CC1)CC(=O)O	1405
+CC(C)(C)OC(NC1(CC1)CCO)=O	118
+CC(C)(C)OC(NC1(CC1)CNc2cc(Nc3cccc(C(C)(C)C)n3)c(C(=O)N)nn2)=O	232
+CC(C)(C)c1cccc(Nc2cc(nnc2C(=O)N)NCC3(CC3)N)n1	12
+CC(C)(C)OC(=O)NC1(CC1)C2CCCCN2	4201
+CC(C)(C)OC(=O)NC1(C(C=C)C1)C(=O)NS(=O)(=O)C2(CC2)CCC	344
+CCOC(C1(N)C(C1)C=C)=O	689
+CC(C)(C)OC(NC1(CCC(Nc2c3cc(cn3ncc2C(=O)N)C(O)=O)C1(C)C)C)=O	6
+CC(C)(C)OC(NC1(CCC(Nc2c(C(=O)N)cnn3cc(cc23)C(NN)=O)C1(C)C)C)=O	1325
+CC(C)(C)OC(=O)NC1(CCN(CC1)C(OCC)=O)CCN	51
+c1cc(ccc1Cl)C(NC(C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)=O)CCO	84
+c1cc(ccc1Cl)C(CCNS(=O)(=O)C)NC(C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)=O	84
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(=O)NC(CC(OC)=O)c4ccc(cc4)Cl	9
+CC(C)(C)OC(NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(=O)NC(c4ccc(cc4)Cl)CCNS(=O)(=O)C)=O	9
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2ccc(S(=O)(=O)C)cn2)C	43
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2c([N+]([O-])=O)nccc2)C	2688
+CC(C)(C)OC(NC1(CCOCC1)CN)=O	51
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(C(=O)N)NC(=O)C3(CCOCC3)NC(OC(C)(C)C)=O	372
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3ccc4c(N(C(CO4)=O)C)c3)C(=O)N)=O	756
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3cc4c(OC(N4CCCOC)=O)cc3)C(=O)N)=O	756
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(Cc2ccc(cc2)-c3cc(C#N)ccc3)C(=O)N)=O	134
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3cc(F)c(cc3)F)C(=O)N)=O	134
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3cc(C#N)c(F)cc3)C(=O)N)=O	134
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(Cc2ccc(cc2)-c3cc(ccc3)OS(=O)(=O)C)C(=O)N)=O	134
+CC(C)(C)OC(NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc(C#N)ccc3)=O)=O	143
+C1COCCC1(N)C(NC(C#N)Cc2ccc(cc2)-c3cc(C#N)ccc3)=O	84
+CC(C)(C)OC(=O)NC1(CCCN(C1)c2c(cnc3c2CCC3)[N+]([O-])=O)C	264
+CC(C)(C)OC(NC(CO)(CO)c1oc2c(c1)cc(cc2)-c3noc(n3)-c4cc(Cl)c(cc4)OCCC)=O	1192
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)C2(O)C)=O	2799
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)C2=O)=O	86
+CC1(C)Cc2c(cc(NC(c3ccc(Br)cn3)=O)cc2)C4(NC(OC4)=N)C1	7547
+CC(C)(C)OC(NC=1CC(C(=O)N(CCC)CCC)=Cc2c(cc(cc2)-c3ccc(cc3)O)N=1)=O	11
+c1ccccc1C(=O)N2CC(C(=O)N(c3ccccc23)C)N	84
+c1ccccc1C2C(C(=O)N(c3ccccc3O2)CC#C)N	84
+c1c(cc2N(C(=O)C(COc2c1)N)C)F	84
+CC(C)(C)OC(NC1CN(c2ccc(C)cc2NC1=O)C3CCCCC3)=O	460
+CC(C)(C)OC(NC1C(N(Cc2ccccc2)c3c(N)cccc3C1)=O)=O	1126
+CC(C)(C)OC(NC1C(C)N(CCC1)c2nc(c(nc2)C(N)=O)Nc3ccc(cc3)C4CCN(CC4)C5CCCC5)=O	1198
+CC(C)(C)OC(NC1C(CC(C(N)=O)CC1)OC)=O	83
+CC(C)(C)OC(NC1CCCC1Nc2ncc(C(F)(F)F)nc2C)=O	4202
+CC(C)(C)OC(NC1C(CCCC1)CN)=O	51
+CC(C)(C)OC(=O)NC1CCCCC1CNc2c(F)cnc(n2)-c3c4cc(Cl)cnc4n(c3)S(=O)(=O)c5ccc(cc5)C	4126
+CC(C)(C)OC(=O)NC1C(CCCC1)CC#N	300
+CC(C)(C)OC(NC1CCCCC1CN=[N+]=[N-])=O	133
+CC(C)(C)OC(NC1COCCC1Nc2cc(Nc3ccc(c(n3)OC)C(C)C)c(C(=O)N)nn2)=O	232
+CC(C)(C)OC(NC1C(CN(CCOS(=O)(=O)C)CC1)OC)=O	7
+CC(C)(C)OC(=O)NC1C(OC)CN(CC1)CCN2C(=O)C=Nc3ccc(cc23)OC	7548
+CC(C)(C)OC(=O)NC1C(OC)CN(CC1)CCN2C(C=Cc3c2cc(cc3)C#N)=O	2848
+CC(C)(C)OC(=O)NC1C(OC)CN(CCN2C(C=Cc3ccc(cc23)Br)=O)CC1	2848
+CC(C)(C)OC(=O)NC1C(CN(C1)Cc2ccccc2)O	2118
+CC(C)(C)OC(NC1C(=O)N(c2c(C1)cccc2N(C(C)=O)CC)Cc3ccccc3)=O	192
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)C(N)CC1)Cc2cccnc2	84
+CC(C)(C)OC(NC1C(C)N(CCC1)c2nc(c(nc2)C#N)Nc3ccc(cc3)C4CCN(CC4)C5CCCC5)=O	1410
+CC(C)(C)OC(=O)NC1CCCCC1Nc2nnc(c(Nc3nc(C(C)(C)O)ccc3)c2)C(N)=O	232
+CC(C)(C)OC(=O)NC1C(Nc2cc(Nc3cc(C)cc(C)c3)c(nn2)C(N)=O)CCCC1	232
+CC(C)(C)OC(=O)NC1CCCCC1Nc2nnc(C(N)=O)c(Nc3cccc(n3)OCC)c2	232
+CC(C)(C)OC(=O)NC1C(CCCC1)Nc2cc(Nc3nc(cc(C)c3)C)c(nn2)C(N)=O	232
+CC(C)(C)OC(NC1CCCCC1Nc2ncc3c(c(C(Nc4ccc5c(n4)ccnc5)=O)cs3)n2)=O	798
+CC(C)(C)OC(NC1CCCCC1Nc2cc(C#N)c(c(n2)Nc3cc4c(cn[nH]4)cc3)C(=O)OC)=O	70
+CC(C)(C)OC(NC1CCCCC1Nc2c3c(ccc(C)c3)nc(Cl)n2)=O	40
+CC(C)(C)OC(=O)NC1C(Nc2nc(c(C(OC)=O)c(c2)C#N)-c3cnn(C)c3)CCCC1	70
+CC(C)(C)OC(NC1C(Nc2cnc(c(n2)Cl)C#N)CCCC1)=O	464
+CC(C)(C)OC(=O)NC1C(Nc2cnc(c(c2)Br)C#N)CS(=O)(=O)CC1	2849
+C1C(C)CCCCCCCC(C(=O)NC(C(NC1C(O)CC(C)C(NCCCC)=O)=O)C)N	84
+CC(C)(C)[Si](C)(C)OC1CCC(C(=O)NC1)NC(=O)OC(C)(C)C	19
+CC(C)(C)OC(=O)NC1C(CCCC1)Nc2cnc(c(Nc3cc(ccc3)-c4ncccn4)n2)C#N	1410
+FC(F)(F)COc1cc(CC2CSCC(NC(OC(C)(C)C)=O)C2O)cc(c1[N+]([O-])=O)F	57
+CC(C)(C)OC(=O)NC1CC(C(OCC)=O)CCC1OS(=O)(=O)C	7
+c1cc(ccc1)COC(=O)N2CCC(N)C(O)C2	12
+CC(C)(C)OC(NC1CC1c2cc(C(=O)Nc3cnn(CC)c3)ccc2)=O	1404
+C1CC1CN2C(=O)C(C(c3ccccc3)Oc4ccccc24)N	84
+C1CC(=O)Nc2c1c(Oc3ccc4OC5C(c4c3)C5N)ccn2	12
+CC(C)(C)OC(=O)NC1CC(CC1)CO	460
+CC(C)(C)OC(=O)NC1CC(C)CNC1	25
+CC(C)(C)OC(NC1CC(C1)CN)=O	18
+CC(C)(C)OC(=O)NC1CC(C1)COS(=O)(=O)C	7
+CC(C)(C)OC(=O)NC1CC(CC(c2c(cncc2)NC(=O)c3nc(-c4c(cc(cc4F)C=O)F)c(F)cc3)C1)C	245
+CC(C)(C)OC(=O)NC1CC(c2nc(C(F)(F)c3ccccc3)no2)CC1	4155
+CC(C)(C)OC(=O)NC1CC(CC1)c2nc(-c3ccccc3)no2	4203
+CC(C)(C)OC(=O)NC1CCC(Nc2nc3cc(OC)ccc3c(C)c2)C1	554
+CC(C)(C)OC(=O)NC1CC(Nc2c3c(n(cc3)S(=O)(=O)c4ccccc4)ncc2[N+]([O-])=O)CC1	2048
+CC(C)(C)OC(NC1CCC(C(CCC)C1)N2C(=O)C(Nc3c4c(ccc(Cl)c4)ncn3)CC2)=O	2801
+CC(C)(C)OC(NC1CCC(NC(=O)C(CCSC)NC(=O)OCc2ccccc2)C(CCC)C1)=O	9
+CC(C)(C)OC(NC1CC(CC1)N)=O	102
+CC(C)(C)OC(=O)NC1CCC(OS(=O)(=O)C)C1	7
+CC(C)(C)OC(=O)NC1CC(C(CC1)COS(=O)(=O)C)OC	7
+CC(C)(C)OC(NC1CC(CC(c2c(NC(=O)c3ccc(c(Br)n3)F)cncc2)C1)C)=O	510
+c1cc(ccc1C2C(C2)N)Br	12
+CC(C)(C)OC(NC1CC1c2ccc(cc2)OCc3c(F)cccc3)=O	22
+c1cc(ccc1C2CC2N)OC	12
+c1cc(ccc1C2CC2N)OCc3c(F)cccc3	12
+CC(C)(C)OC(NC1C(c2cccc(C(=O)O)c2)C1)=O	1
+CC(C)(C)OC(NC1CC2=CCC3C(CCC4(C3CCC4c5nnn(Cc6ccccc6)c5)C)C2(CC1)C)=O	642
+c1cc(ccc1)CON2C(=O)C(CC=CC2)N	84
+c12c(c(C3=CCC(CC3)NC)c[nH]1)nccc2	352
+CC(C)(C)OC(NC1C(CC(C(O)=O)CC1)OC)=O	4
+CC(C)(C)OC(=O)NC1CCC(C)N(S(=O)(=O)c2ncccc2)CC1O	2043
+CC(C)(C)OC(NC1CC(NC(OCc2ccccc2)=O)CC1)=O	7549
+CC(C)(C)OC(NC1CC(CC1)C(ON=C(C(F)(F)c2ccccc2)N)=O)=O	4075
+CC(C)(C)OC(NC1CCC(CC1)CC=O)=O	578
+CC(C)(C)OC(=O)NC1CCC(CC1)CNc2nc(NCc3c(I)cccc3)ncc2[N+](=O)[O-]	96
+C1CC(CCC1NC(c2cc(c(cc2)F)F)=O)N	12
+C1CC(CCC1N)NC(c2ccc(-c3cccc(c3)F)nc2)=O	12
+CC(C)(C)OC(NC1CCC(C(=O)OC)CC1OC)=O	76
+CC(C)(C)OC(=O)NC1CCC(N2CCC(NC(=O)OCc3ccccc3)C2=O)C(CCC)C1	7550
+c1cc(ccc1)CN2CC3CCC(NC)C3C2	352
+C1CCC(C(OC)=O)CC1N	12
+CC(C)(C)OC(=O)NC1C(CCC1)(F)C	1138
+CC(C)(C)OC(NC1CCCC1CO)=O	21
+CC(C)(C)OC(=O)NC1CCCC1C=O	24
+CC(C)(C)OC(NC1C(NC(C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)CCCCCCC1)=O)=O	460
+CC(C)(C)OC(NC1CCCC=CCCC(C)CC(NC(=O)C(C)NC1=O)C(CC(C)C(NCCCC)=O)O)=O	248
+CC(C)(C)OC(=O)NC1C(CCCC1)C(OC)=O	167
+C1CCCC(CN=[N+]=[N-])C1N	12
+CC(C)(C)OC(NC1C(CCCC1)Nc2nc(nc3ccc(C)cc23)NCc4ccc(cc4)OC)=O	798
+N#Cc1cc(nc(Nc2cc3c(c[nH]n3)cc2)c1C(=O)OC)NC4CCCCC4N	12
+c1sc2c(nc(nc2)NC3CCCCC3N)c1C(=O)Nc4ccc5c(ccnc5)n4	12
+CC(C)(C)OC(NC1CCCCNC1)=O	62
+CC(C)(C)OC(=O)NC1CCNCCC1	62
+CC(C)(C)OC(NC1CCCNC1C)=O	62
+CC(C)(C)OC(NC1CCCN(c2c(cncc2)N)C1)=O	13
+FC(F)(F)c1cc(cc(N)c1)Nc2nc(c3c(CCCC3)n2)N4CCCC(C4)NC(=O)OC(C)(C)C	55
+CC(C)(C)OC(=O)Nc1c(C(Nc2c(ccnc2)N3CC(NC(=O)OC(C)(C)C)CCC3)=O)c4c(o1)cc(cn4)CC	7551
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(c[nH]c3ncc2Cl)NC(CC)=O)C1	308
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(NC(=O)CCC)c[nH]c3ncc2Cl)C1	308
+CC(C)(C)OC(NC1CCCN(c2n(Cc3ccccc3Cl)c4c(c2C(=O)C)N(C(N(C4=O)C)=O)C)C1)=O	716
+CC(C)(C)OC(NC1CN(c2n(c3c(N(C(=O)N(C3=O)CC(=O)c4ccccc4O)C)n2)CC=C(C)C)CCC1)=O	4116
+CC(C)(C)OC(=O)NC1CCCN(c2nc(Nc3ccc(cc3)N(CC)CC)c(C(=O)N)cc2)C1	43
+CC(C)(C)OC(NC1CCCN(C1)c2c([N+]([O-])=O)cncc2)=O	264
+FC(F)(F)c1cc([N+](=O)[O-])c(N2CC(NC(=O)OC(C)(C)C)CCC2)cc1	34
+FC(F)(F)c1cnc2c(c(NC(c3nccnc3)=O)c[nH]2)c1N4CC(NC(=O)OC(C)(C)C)CCC4	1635
+CC(C)(C)OC(=O)NC1CN(CCC1)S(=O)(=O)c2cccc(c2C)Cl	92
+CC(C)(C)OC(NC1CCCN(C2C(O)Cc3ccc(cc23)S(=O)(=O)C)C1)=O	3959
+CC(C)(C)OC(=O)NC1CN(c2c3c(NC(c4cc(F)ccc4)=O)c[nH]c3ncc2Br)CCC1	1610
+CC(C)(C)OC(=O)NC1CN(c2c(cnc3c2c(c[nH]3)NC(c4nccnc4)=O)Br)CCC1	1610
+CC(C)(C)OC(NC1CCCN(c2c3c(ncc2Cl)[nH]cc3N)C1)=O	1610
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(NCCC3)ncc2[N+](=O)[O-])C1	4204
+CC(C)(C)OC(NC1CN(CCC1)C(c2ccc(c(c2)[N+](=O)[O-])NC)=O)=O	30
+CC(C)(C)OC(=O)NC1CN(c2c(cnc3CCCc23)[N+](=O)[O-])CCC1	264
+CC(C)(C)OC(NC1CN(CCC1)C(c2cc(c(c(c2)OC)NC)[N+](=O)[O-])=O)=O	30
+CC(C)(C)OC(=O)NC1CCCN(c2nc(Nc3ccc(cc3)C(N4CCOCC4)=O)c(C(=O)N)cc2)C1	43
+CC(C)(C)OC(=O)NC1CN(c2nc3c(cc2)ncnc3N)CCC1	286
+CC(C)(C)OC(NC1C(N(c2nc(Cl)c(nc2)C#N)CCC1)C)=O	317
+CC(C)(C)OC(NC1CCN(C(C(F)(F)F)c2ccc(nc2)NN)C1)=O	383
+CC(C)(C)OC(NC1CCN(C1)C(C(F)(F)F)c2cnc(cc2)NN=Cc3nc4c(cc3)cc(F)c(OCC)c4)=O	1698
+C1(OC)CN(CCC1N)C	12
+FC(F)(F)C(N1CCC(NC(OC(C)(C)C)=O)C1)c2cn3c(cc2)nnc3-c4nc5c(cc4)cc(F)c(OCC)c5	2149
+CCC(=O)N1CC(CC1)N	12
+CC(C)(C)OC(=O)N(C1CN(CC1)c2ccc(cc2)[N+]([O-])=O)C	397
+C1N(CCC1N)C2C(N=[N+]=[N-])CCCC2	12
+c1(N2CC(OC2=O)Cn3nncc3)ccc(N4CCC(N)C4)c(F)c1	12
+CC(C)(C)OC(NC1CCN(c2c(F)cc(N3C(=O)OC(CN=[N+]=[N-])C3)cc2)C1)=O	133
+CC(C)(C)OC(NC1CCN(c2c(cc(cc2)N3C(=O)OC(C3)COS(=O)(=O)C)F)C1)=O	7
+n1ccn2ccnc(N3CCC(N)C3)c12	12
+CC(C)(C)OC(=O)NC1CN(C(CC(C)C)C(=O)Nc2cc(c(cc2)-c3ocnc3)OC)CC1	2150
+CC(C)(C)OC(=O)NC1CCN(C1)c2ncccc2C(OC(C)C)=O	43
+CC(C)(C)OC(NC1CCN(C1)C(CC)=O)=O	58
+CC(C)(C)OC(NC1CN(c2c(cc(c(F)c2F)C(=O)OCC)F)CC1)=O	34
+C[Si](C)(C)CCOCn1c2c(c(ccn2)N3CCC(NC(OC(C)(C)C)=O)C3)c4cc(ncc14)C#N	1635
+FC(F)(F)c1ccnc(COCC(=O)N2CC(NC(OC(C)(C)C)=O)CC2)c1	10
+CC(C)(C)OC(=O)NC1CCN(C1)c2nc(-c3c(cccc3)O)nc4c2ccc(c4)C	54
+CC(C)(C)OC(NC1CN(c2nccn3cccc23)CC1)=O	7552
+CC(C)(C)OC(NC1CN(CC1)c2ccc(c(F)c2F)C(=O)OCC)=O	34
+CC(C)(C)OC(NC1CN(CC1)c2nc(nc3CCCc23)N)=O	54
+c1cc(ccc1)C(c2ccccc2)CC(N3CC(NC(OC(C)(C)C)=O)CC3)=O	10
+CC(C)(C)OC(NC1CCN(C1)c2ccc(cc2)[N+]([O-])=O)=O	34
+CC(C)(C)OC(NC1CCN(C1)c2ccc(cc2)S(=O)(=O)N(C)C)=O	34
+CC(C)(C)OC(NC1CN(CC1)c2cc(nc(N)n2)C=Cc3ccccc3)=O	54
+CC(C)(C)OC(NC1CCN(c2nccn3ccnc23)C1)=O	2072
+CC(C)(C)OC(NC1CN(CC1)c2nc3c(cc(cn3)Cl)nc2Cl)=O	317
+CC(C)(C)OC(=O)NC1CCOCC1CO	44
+CC(C)(C)OC(=O)N(C1c2c(cc(cc2)C#N)OCC1)C	397
+c1cc(ccc1)CC2c3cc(ccc3CCC2N)CNS(=O)(=O)CCC	12
+CC(C)(C)OC(NC1CCc2ccc(cc2C1Cc3ccccc3)CN)=O	107
+CC(C)(C)OC(NC1CCc2c(cc(cc2)CNS(=O)(=O)CCC)C1Cc3ccccc3)=O	111
+CC(C)(C)OC(=O)NC1C(N(c2c(ccc(C)c2)N(C1)C(=O)C3CCCCC3)CC(=O)c4ccccc4C)=O	4041
+CC(C)(C)OC(NC1CNCC(C1(O)C)C)=O	62
+C1CC1Cn2c(cc3cccnc23)-c4n(c5c(cc(cc5OC)C(N6CC(CCC6)N)=O)n4)C	12
+C1C(CN1C(=O)c2ccc(c(F)c2Nc3c(cc(cc3)I)F)F)N	12
+CC(C)(C)OC(NC1CN(C1)c2cc3c(nc2)n(S(=O)(=O)c4ccc(cc4)C)cc3I)=O	276
+CC(C)(C)OC(NC1CN(C1)c2cc3c(c[nH]c3nc2)I)=O	1361
+C1N(CC1N)c2ccccn2	12
+CC(C)(C)OC(NC1C(C(C2CC2)CN(c3c4CCCc4[n+]([O-])cc3[N+]([O-])=O)C1)O)=O	103
+CC(C)(C)OC(N(C)C1CCN(C(C2CC2)=O)C1)=O	397
+c1ccccc1C=Cc2nc(nc(N3CCC(C3)N)c2)N	12
+CC(C)(C)OC(NC1CN(c2ccc(cc2)C(=O)O)CC1)=O	1
+NC1CCN(c2c3c(nc(N)n2)CCC3)C1	12
+Clc1cnc2c(c1)n3c(c(n2)N4CCC(N)C4)nnc3	12
+CC(C)(C)OC(NC1CN(CC1)c2nc3c(cc(cn3)Cl)nc2NN)=O	1386
+CC(C)(C)OC(NC1CN(CC1)c2nc3c(cc(Cl)cn3)n4cnnc24)=O	2825
+CC(C)(C)OC(NC1CNCC1O[Si](C)(C)C(C)(C)C)=O	25
+C1CC1Cn2c(cc3c2nccc3)-c4n(c5c(n4)cc(cc5)C(N6CC(CCC6)N)=O)C	12
+CC(C)(C)OC(=O)NC1C(Nc2c(cc(C#N)c(Cl)n2)F)CCN(C(C)=O)C1	70
+CC(C)(C)OC(NC1CCCCNC1)=O	25
+NC1CCN(c2c3cccn3ccn2)C1	12
+CC(C)(C)OC(NC1CN(C1)c2ncccc2)=O	43
+CC(C)(C)OC(NC1CN(C1)C(=O)c2ccc(c(F)c2Nc3c(cc(cc3)I)F)F)=O	30
+CC(C)(C)OC(=O)NC1CN(c2c3c(ncc2[N+]([O-])=O)OCC3)CC(C)C1(C)O	4204
+CC(C)(C)OC(=O)NC1C(N(c2ccccc2NC1)C)=O	239
+CC(C)c1c(nc(cc1)Nc2cc(NC3C(N)COCC3)nnc2C(=O)N)OC	12
+CN(C)C(CCCOc1cc2c(cc1)CCC(N)C2)=O	12
+CC(C)(C)OC(NC1Cc2c(CC1)ccc(c2)OCCCC(O)=O)=O	3
+CC(C)(C)OC(NC1Cc2c(CC1)ccc(OCCCC(=O)N(C)C)c2)=O	10
+CC(C)(C)OC(NC1Cc2c(c([N+](=O)[O-])ccc2)NC1=O)=O	562
+CC(C)(C)OC(NC1C(=O)Nc2c(cccc2N)C1)=O	0
+CC(C)(C)OC(NC1Cc2c(CC1)ccc(c2)OCCCC(=O)OCC)=O	8
+O(c1ncc(cc1)C(=O)N)c2cc3c(CC(N)C3)cc2	12
+CC(C)(C)OC(=O)N(C)C1C(c2c(cccc2)C1)Cc3cc(Cl)c(cc3)Cl	397
+CC(C)(C)OC(=O)NC1c2cc(ccc2N(C(C1C)C3CC3)C(=O)C)Br	192
+CC(C)(C)OC(=O)NC1C(OC)Cc2ccccc12	76
+CC(C)(C)OC(=O)NC1c2cccc(c2CC1)-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3	529
+CC(C)(C)OC(=O)NC1CCCC(C(Nc2cnn(C(F)F)c2-c3nccc1c3)=O)C	7553
+C(C)CN(CCC)C(C1=Cc2c(cc(-c3ccc(cc3)O)cc2)NC(=N)C1)=O	7554
+CC(C)(C)OC(NCc1cn(CCON2C(=O)c3ccccc3C2=O)nn1)=O	642
+CC(C)(C)OC(=O)NCC#CC=1c2c(cnc(n2)SC)C(N(c3c(Cl)cccc3Cl)C=1)=O	7555
+C1COCCN1c2ccc(cc2)Nc3nc4C(C#CCN)=CN(c5c(cccc5Cl)Cl)C(=O)c4cn3	7556
+CC(C)(C)OC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(c(Cl)c3)Oc4ccc(C)nc4)c2c1	7557
+CC(C)(C)OC(NCC(NC(c1ccc(cc1)-c2ccccc2)CC#N)=O)=O	143
+CC(C)(C)c1cc(c(s1)CNC(=O)CN)NC(Nc2ccc(cc2)C)=O	84
+CC(C)(C)OC(=O)NCC(c1nnc2cc(-c3ccnc(n3)Nc4n(C)ncc4)cc(F)n12)Cc5cnc(OC)cc5	757
+CC(C)(C)OC(NCC(C(NNc1nc(cc(c1)-c2nc(ncc2)Nc3n(C)ncc3)F)=O)Cc4cnc(OC)cc4)=O	355
+CC(C)(C)OC(=O)NCC(C)(C)CC(=O)Oc1ccc(cc1)[N+]([O-])=O	2850
+O=S(=O)(NCC(C)(C)CN)c1cccc2c1ccnc2	12
+CC(C)(C)OC(NCC(C)(C)c1ccc(cc1)N)=O	0
+c1c(c(O)ccc1)C(=O)NC(CN)C	12
+CC(C)(C)OC(=O)NCC(C)OCCO	118
+CC(C)(C)OC(=O)NCC(C)c1ccc(cc1)C#Cc2ccc(cc2)OCCC	129
+CC(C)(C)OC(=O)NCC(C(Oc1cccc2ccc(nc12)-c3nnc4n3cccc4)CC)CC	1346
+CC(C)(C)OC(=O)NCC(CCOc1ccc(cc1)C#N)OS(=O)(=O)C	7
+CC(C)(C)OC(=O)NCC(CN1CCC(CC1)Oc2ccc(cc2)F)NC(C=Cc3c(ccc(c3)C#N)OC)=O	711
+CC(C)(C)OC(NCC(CN1CCC(CC1)Oc2ccc(cc2)F)N)=O	102
+CC(C)(C)OC(NCC1CN(c2cc3CC(N(CCC)c3c(c2)F)=O)C(=O)O1)=O	2151
+CC(C)(C)OC(NCC1CN(c2cc(F)c3c(CC(=O)N3CCF)c2)C(=O)O1)=O	2151
+CC(C)(C)OC(NCC1CN(C(=O)O1)c2cc(F)c3c(CC(=O)N3C4CC4)c2)=O	2151
+CC(C)(C)OC(NCC1OC(N(C1)c2cc3CC(N(CC4CC4)c3cc2)=O)=O)=O	2151
+CC(C)CN(C(=O)CN)CC(=O)OC	84
+CC(C)(C)OC(=O)NCC(NC(c1c[nH]c2c1cc(cc2)Cl)=O)c3c4cc(Cl)ccc4[nH]c3	56
+C1Cc2c(ccc(F)c2Br)C(CC(=O)O)N1C(CN)=O	84
+C1CC(CCN1C(=O)CN)(C(NCc2c(cccn2)C)=O)COC(=O)Nc3ccc(cc3)CC	84
+N#CC1CCCN1C(=O)CN	84
+CC(C)(C)OC(NCC(N1CCCC1C#N)=O)=O	143
+CC(C)(C)OC(NCC(N1C(c2c(CC1)c(Br)c(cc2)F)CC(O)=O)=O)=O	4
+CC(C)(C)OC(=O)NCC(C)N	18
+c1ccccc1-c2ccc(cc2)C(CC#N)NC(CN)=O	84
+CC(C)(C)OC(NCC(=O)NC(c1ccc(cc1)-c2ccccc2)CC(N)=O)=O	83
+c1cc(ccc1)-c2[nH]c3c4c(ccc3)C(NC(CN)=O)CCc24	84
+CC(C)(C)OC(=O)NCC(N)c1cc(cc(c1)F)Br	499
+C1CN(CCN1c2nccn3c(cnc23)-c4cccc(n4)NC(CN)c5ccccc5)C	12
+CC(C)(C)OC(NCC(=O)NCc1sc(cc1NC(Nc2ccc(cc2)C)=O)C(C)(C)C)=O	9
+CC(C)(C)OC(NCC(N(CC(C)C)CC(OC)=O)=O)=O	478
+CC(C)(C)OC(NCC(OC1C(Nc2c(ccc(-n3c4CC(C)(C)CC(c4c(CC)n3)=O)c2)C(N)=O)CCCC1)=O)=O	27
+CC(C)(C)OC(=O)NCC(N1CCN(CC1)C(c2c(C(F)(F)F)cccc2)=O)=O	10
+CC(C)(C)OC(NCC(N1CCc2c(Br)c(ccc2C1CC(=O)OC)F)=O)=O	10
+CC(C)(C)OC(=O)NCC(=O)N1CC(c2c(C1)cccc2)OC	10
+CC(C)(C)OC(NCC(NC1c2cccc3[nH]c(-c4ccccc4)c(CC1)c23)=O)=O	9
+CC(C)(C)OC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)OC	188
+CC(C)(C)OC(=O)NCC(OCc1ccc(cc1)Nc2cc(-c3c(ccc(Cl)c3)OCC)nc(N)n2)=O	1699
+CC(C)(C)OC(=O)NCC(NCCNC(=O)CC1c2n(-c3c(C(c4ccc(cc4)Cl)=N1)cc(cc3)OC)c(C)nn2)=O	9
+CC(C)(C)OC(=O)NCC(=O)NC(C(=O)OC)CCCCNC(OCc1ccccc1)=O	188
+CC(C)(C)OC(=O)NCC(N1CCN(CC1)Cc2sc3c(nc(nc3N4CCOCC4)-c5cnc(nc5)N)c2C)=O	10
+CC(C)(C)OC(=O)NCC(OS(=O)(=O)C)C	7
+CC(C)(C)OC(=O)NCC(CN(C)S(=O)(=O)c1c(cc(cc1)Cl)Cl)O	693
+CC(C)(C)OC(=O)NCC1OC(=O)N(c2cc3CCOC(=O)N(c3cc2)C)C1	7558
+CC(C)(C)OC(=O)NCC(COCC)N1C(c2ccccc2C1=O)=O	1579
+c1ccccc1C(CNC)c2ccc3[nH]ccc3c2	352
+CC(C)(C)OC(=O)NCC(c1ccc(cc1)Cl)CC(=O)Nc2ccccc2	33
+CC(C)(C)OC(NCC(c1ccccc1)NC(c2cc(c(Cl)cc2)NC(=O)c3c(O)nc4nc(nc(c4c3)C)OC)=O)=O	14
+CC(C)(C)OC(NCC1(CC12CCCCC2)C(NO)=N)=O	409
+CC(C)(C)OC(NCC1(C(C1)C(C)C)C(O)=O)=O	4
+CC(C)(C)OC(NCC1(CC1C(C)C)C(N)=O)=O	7559
+CC(C)(C)OC(NCC1(C(C)(C)C(CC1)Nc2c3n(cc(Br)c3)ncc2C(=O)N)C)=O	719
+CC(C)(C)OC(NCC1(C)C(C)(C)C(CC1)N)=O	102
+CC(C)(C)OC(NCC1(CC1)C(NNC(=O)C2CCC3N(OCc4ccccc4)C(=O)N2C3)=O)=O	1038
+CC(C)(C)OC(NCC1(CC1)C(=O)NN)=O	355
+CC(C)(C)OC(=O)NCC1(CC1)c2nnc(C3CCC4N(C(=O)N3C4)OCc5ccccc5)o2	1037
+CC(C)(C)OC(NCC1(C#N)C2(CCCCC2)C1)=O	143
+CC(C)(C)OC(=O)NCC1(CC12CCCCC2)C=3NC(=O)ON=3	3340
+CC(C)(C)OC(=O)NCC1(C#N)C(C(C)C)C1	143
+CC(C)(C)OC(N(C)CC1(c2ccccc2)C(C1)COCc3ccccc3)=O	397
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(CO)cc2C=1c3ccccc3)=O	49
+CC(C)(C)OC(NCC1CCC(CC1)C(CCc2ccccc2)=O)=O	2851
+CC(C)(C)OC(NCC1CCC(CC1)C(=O)N(OC)C)=O	164
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2cccc(c2)Br)C(OC)=O)=O)=O	188
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2ccc(cc2)Br)C(OC)=O)=O)=O	188
+CC(C)(C)OC(NCC1CCC(CC1)C(O)CCc2ccccc2)=O	100
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2cc(ccc2)-c3cnc(nc3)N4CCOCC4)C(O)=O)=O)=O	1629
+CC(C)(C)OC(NCC1CCC(CC1)C(=O)NC(C(=O)O)Cc2ccc(cc2)-c3c(cc(cc3)C(NC(C)C)=O)Cl)=O	4
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2ccc(cc2)-c3c(cc(cc3)C(NC(C)C)=O)Cl)C(OC)=O)=O)=O	14
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2ccc(cc2)-c3ccc(cc3Cl)C(=O)O)C(OC)=O)=O)=O	11
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(C(O)=O)Cc2cc(Br)ccc2)=O)=O	4
+C1CC(CCC1CN)C(O)CCc2ccccc2	12
+CC(C)(C)OC(NCC1CCC(CC1)C(=O)O)=O	1317
+CC(C)(C)OC(NCC1CCC(CC1)CNC(=O)c2c3c(cccc3)nc(-c4ccc(nc4)F)c2)=O	14
+CC(C)(C)OC(NCC1CCC(CC1)NS(=O)(=O)C(C)C)=O	111
+CC(C)(C)OC(NCC1CCC(CC1)N)=O	102
+c1ccccc1COC(NC2CCC(CC2)CN)=O	12
+C1CC(CCC1CN)NS(=O)(=O)C(C)C	12
+CC(C)(C)OC(NCC1CCC(CC1)c2ccc(cc2)NC(C(OC)=O)=O)=O	994
+CC(C)(C)OC(=O)NCC1CCC(CC1)c2ccc(cc2)NC(=O)C(NN)=O	2556
+CC(C)(C)OC(=O)NCC1CCCCN1C(CCCCCCCCCCCC)=O	58
+O=S(=O)(C)CCC(NC(=O)c1cc(c(cc1)C(=O)N2CCCC2CN)Cl)c3nc4cc(ccc4[nH]3)Cl	12
+CC(C)(C)OC(NCC1CCCN1C(=O)c2c(cc(cc2)C(=O)NC(c3nc4ccc(cc4[nH]3)Cl)CCS(C)=O)Cl)=O	441
+CC(C)(C)OC(NCC1CCCN1C(=O)c2c(cc(cc2)C(=O)NC(CCS(=O)(=O)C)c3nc4cc(ccc4[nH]3)Cl)Cl)=O	2852
+CC(C)(C)OC(NCC1CCN(CC1)CCN)=O	51
+C1CN(CCC1CN)CC2CCN(CC2)C(=O)OC	12
+CC(C)(C)OC(NCC1CCN(CC1)c2ncc(cc2NC(=O)c3cc(Cl)ccc3)S(=O)(=O)C)=O	660
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(C=O)nc23)=O	3353
+CC(C)(C)OC(NCC1CCN(CC1)c2cc(C(Nc3ccccc3)=O)ccc2N)=O	0
+CC(C)(C)OC(NCC1CCN(CC1)c2c3c(ccc(C(O)CO)n3)ccc2)=O	265
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(-c4n5ccc(I)cc5nn4)nc23)=O	2149
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(C=NNc4cc(I)ccn4)nc23)=O	1698
+C1CC(CCN1c2cccc3ccc(nc23)-c4n5ccc(C(O)CO)cc5nn4)CN	12
+CC(C)(C)OC(NCC1CCN(CC1)c2c(N)cc(S(=O)(=O)C)cn2)=O	13
+C1CN(CCC1CN)c2ncc(cc2NC(=O)c3cc(Cl)ccc3)S(=O)(=O)C	12
+CC(C)(C)OC(=O)NCC1CCN(Cc2c(Cl)c(Cl)ccc2)C1	48
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(C4OC(C)(C)OC4)nc23)=O	4205
+CC(C)(C)OC(NCC1CCN(CC1)CC#N)=O	1576
+CC(C)(C)OC(NCC1CCN(CC1)c2c3nc(ccc3cc(F)c2)-c4n5c(nn4)cccc5)=O	4205
+CC(C)(C)OC(NCC1CCN(CC1)c2cc(ccc2[N+](=O)[O-])C(Nc3ccccc3)=O)=O	202
+CC(C)(C)OC(=O)NCC1CN(C1)c2c(cc(C(=O)OCC)c(n2)C)C#N	43
+CC(C)(C)OC(NCC1OC(N(c2cc(c(C3CCN(CC3)C(=O)CO)cc2)F)C1)=O)=O	7560
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(cc2C=1c3ccccc3)CCC(OCC)=O)=O	159
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(cc2C=1c3c(F)cccc3)O)=O	16
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(C=O)cc2C=1c3ccccc3)=O	39
+CC(C)(C)OC(NCC=1N(C(=O)c2c(cc(OCC(N)=O)cc2)C=1c3ccccc3F)CC(C)C)=O	2805
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2c(C=1c3ccccc3)cc(cc2)CCC(=O)N)=O	83
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(cc2C=1c3ccccc3)CCC(O)=O)=O	3
+CC(C)(C)OC(NCCNC1Cc2c(C1)ccc(c2)Br)=O	110
+CC(C)(C)OC(NCCNC1CCN(CC1)C(=O)OCc2ccccc2)=O	110
+CC(C)(C)OC(=O)NCCOc1cnc(c(C)c1C(=O)OC)OC(C)C	458
+CC(C)(C)OC(=O)NCCN=[N+]=[N-]	310
+CC(C)(C)OC(NCCn1c(c(-c2cccc(c2)C#N)c(c1)C(=O)OC)Cl)=O	1878
+CC(C)(C)OC(NCCOc1c(OC)cc(-c2ccc3nc(C)cn3n2)cc1)=O	8
+CC(C)(C)OC(=O)NCCOc1cc(C)c(c(c1)C)Br	8
+CC(C)(C)OC(NCCN1CCCN(c2c(cnn2C)[N+](=O)[O-])CC1)=O	28
+C(CC#Cc1ccc(C(NC)=O)c(n1)NCC)N	12
+CC(C)(C)OC(NCCC(Nc1ccc(cc1)CCCCNC(OCc2ccccc2)=O)=O)=O	213
+CC(C)(C)OC(N(CCC(C)C)CC)=O	2802
+CC(C)(C)OC(NCCC(O)CO[Si](C)(C)C(C)(C)C)=O	19
+CC(C)(C)OC(NC(CN=[N+]=[N-])CCNC(OC(C)(C)C)=O)=O	133
+CC(C)(C)OC(=O)NCCC(Nc1ccc(cc1)CCCCN)=O	102
+CC(C)(C)OC(NCCC(=O)CO[Si](C)(C)C(C)(C)C)=O	86
+O(Cc1cccc(C)n1)c2cc(C(CCN)O)ccc2	12
+CC(C)(C)OC(=O)NCCC(N)c1ccccc1	45
+CC(C)(C)OC(=O)NCCC1(CCNCC1)O	25
+CC(C)(C)OC(=O)N(CCC1CCC(CC1)COC(C)=O)C	397
+c1(cc(C(CCCN)=O)ccc1Br)F	12
+CC(C)(C)OC(NCCCC(NC(=O)C)C(=O)N1CCCC1C(NCC(=O)OCc2ccccc2)=O)=O	348
+CC(C)(C)OC(NCCCC(C(=O)O)NC(C)=O)=O	188
+CC(C)(C)OC(NCCCC(C(O)=O)NS(=O)(=O)c1c(cc(F)cc1)Cl)=O	592
+CC(C)(C)OC(NCCCC(CO)NS(=O)(=O)c1c(cc(cc1)F)Cl)=O	21
+OC(C(=O)OC)CCCN	12
+O=S(=O)(NC(CO)CCCN)c1c(cc(cc1)F)Cl	12
+c1cc(ccc1)COC(CNC(=O)C2CCCN2C(C(CCCN)NC(=O)C)=O)=O	12
+CC(C)(C)OC(NCCCC(C(OC)=O)O)=O	325
+CC(C)(C)OC(=O)NC(CCCCNC(=O)OC(C)(C)C)COS(=O)(=O)C	7
+CC(C)(C)OC(NCCCCCCCC(N(CCCC)C)=O)=O	10
+CN(C(=O)CCCCCCCN)CCCC	12
+CC(C)(C)OC(NCCCCCCCCCCCO)=O	21
+c1(Cl)cc(cc(Cl)c1)Sc2nc3c(N)ncnc3n2CCCNCCCCCCN	12
+CC(C)(C)OC(NCCCCN(Cc1c(cccn1)-c2ccccc2)Cc3ncc(cc3C)C)=O	315
+O=S(=O)(c1ccc(cc1)CN(Cc2ncc[nH]2)Cc3nccn3C)NCCCCN	12
+CC(C)(C)OC(NCCCCNc1c2ccc(cc2ncc1N)OCc3ccccc3)=O	13
+CC(C)(C)OC(=O)NCCCCc1ccc(cc1)OCCN	102
+CC(C)(C)OC(=O)NCCCN1CCC2(CC1)CCN(C2)c3ncnc4[nH]cc(c34)Cl	778
+CC(C)(C)OC(NCCCN(C(C1=Nc2onc(C)c2C(N1Cc3ccccc3)=O)CC)C(c4ccc(cc4)C)=O)=O	115
+CC(C)(C)OC(=O)NCCCNc1c2c(ncc1N)cccc2	13
+CC(C)(C)OC(NCCCNn1c(nc2c[n+]([O-])c3ccccc3c12)COCC)=O	359
+CC(C)(C)OC(NCCCNn1c2c3ccccc3[n+]([O-])c(c2nc1COCC)N)=O	574
+C(C)OCc1nc2c(N)nc3c(c2n1NCCCN)cccc3	12
+CC(C)(C)OC(NCCCNn1c2c(c(N)nc3c2cccc3)nc1COCC)=O	445
+CC(C)(C)OC(NCCCOc1cc2c(c3c(nc(n3CCC)CCOC)c(N)[n+]2[O-])cc1)=O	574
+CC(C)(C)OC(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	445
+c1c2c(ccc1OCCCN)c3c(c(N)n2)nc(CCOC)n3CCC	12
+Cc1nc(N)nc(NCCCCC)c1CCCN	12
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2ncc(c(Nc3ccc(cc3)OCCCC(=O)OCC)n2)[N+]([O-])=O)=O	55
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2nc3c(cn2)ncn3-c4ccc(cc4)OCCCC(=O)OCC)=O	2853
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2nc3c(cn2)ncn3-c4ccc(cc4)OCCCC(O)=O)=O	3
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2nc(c(cn2)N)Nc3ccc(cc3)OCCCC(=O)OCC)=O	193
+CC(C)(C)OC(NCCCc1ccc(cc1)N)=O	0
+CC(C)(C)c1c(cccc1)OCCNC(=O)OC(C)(C)C	72
+CC(C)(C)OC(=O)NCCn1c2c(c(ncn2)N)nc1Sc3cc(OC)ccc3I	7561
+CC(C)(C)OC(NCCCn1c(nc2c1c3ccccc3nc2N)CCCC)=O	445
+CC(C)(C)OC(NCCCn1c2c(nc1CCCC)c[n+](c3c2cccc3)[O-])=O	359
+CC(C)(C)OC(NCCCn1c2cc(C(=O)O)ccc2nc1Nc3cc(OC)c(c(OC)c3)OC)=O	1
+c12n(CCCN)c(CCCC)nc1c(N)nc3c2cccc3	12
+CC(C)(C)OC(NCCCn1c(CCCC)nc2c([n+]([O-])c3c(cccc3)c12)N)=O	574
+C(C(=O)O)N(CC(=O)O)CCN	12
+C1CC(CCC1)CN(S(=O)(=O)c2ccccn2)CCN	12
+FC(F)(F)Oc1ccc(cc1)CN(CCCCC)CCN	12
+NCCN	12
+CC(C)(C)OC(NCCNCc1ccccc1OC(C)(C)C)=O	42
+CC(C)(C)OC(NCCNS(=O)(=O)c1cccc2c1cccc2N(C)C)=O	71
+CC(C)(C)OC(NCCNc1c(C)c(C)nc(Cl)c1[N+]([O-])=O)=O	105
+CC(C)(C)OC(NCCNCc1ccc(cc1)OC(F)(F)F)=O	42
+c1(O)ccc(-c2cc(-c3cccc(c3)C(=O)NCCN)nc(O)n2)cc1C	7562
+CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cc(Br)cc2cnccc12	71
+CC(C)(C)OC(=O)NCCNC(c1cc(cnc1)-c2sc(Nc3c(cccn3)Cl)nc2)=O	56
+CC(C)(C)OC(=O)NCCNCc1cc(c(OCc2ccccc2F)cc1)OC	42
+CC(C)(C)OC(NCCNc1nc(c2c(cccc2)n1)N(c3ccc(c(OC)c3)OC)C)=O	798
+CC(C)(C)OC(NCCNc1cc(OC)ccc1[N+]([O-])=O)=O	60
+CC(C)(C)OC(=O)NCCN1C(=O)c2c(C1)cc(cc2)Br	854
+CC(C)(C)OC(NCCNc1c(ccc(Br)c1)[N+](=O)[O-])=O	60
+CC(C)(C)OC(NCCNC1CCC(CC1)(CC(OCc2ccccc2)=O)O)=O	87
+CC(C)(C)OC(NCCNCc1cc(c(cc1)OCc2ccccc2)OC)=O	42
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCNC(CCCCCNCCNC(OC(C)(C)C)=O)=O	132
+CC(C)(C)OC(=O)NCCNC(=O)CCNC(=O)OCc1ccccc1	9
+CC(C)(C)OC(NCCNc1c2c(ncc1[N+](=O)[O-])cc(OCc3ccccc3)cc2)=O	105
+CC(C)(C)OC(=O)NCCNc1c2ccccc2nc(c1)-c3ccccc3O	105
+C12CC(CCC1(C)C3C(O)CC4(C(CCC4C(=O)NCCN)C3CC2)C)O	12
+c1cc(ccc1Cl)C=2c3c(ccc(c3)OC)-n4c(C)nnc4C(N=2)CC(NCCN)=O	12
+C1COCCN1C(NCCN)=O	12
+c1cc(ccc1NC(=O)ON2C(CCC2=O)=O)NC(NCCN)=O	12
+C(C)C=CCC=CCC=CCC=CCC=CCCCCOC(CC)C(NCCN)=O	12
+CC(C)(C)OC(NCCNC(=O)CC(NC(OC(C)(C)C)=O)CCCN)=O	102
+CC(C)(C)OC(=O)NCCNC(=O)Nc1ccc(cc1)N	7563
+CC(C)(C)OC(=O)NCCN(Cc1cn(C2OCCCC2)nc1I)C	678
+CC(C)(C)OC(=O)NCCN(Cc1cncn1-c2ccc(cc2)C#N)C	879
+C1CC(CCC1CC(NC2Cc3cccc(c3OB2O)C(O)=O)=O)NCCN	12
+FC(F)(F)C(=O)NCCNCCNC(OC(C)(C)C)=O	605
+CC(C)(C)OC(=O)NCCN(C(=O)c1ccc(cc1)F)Cc2ccc(c(OC)c2)OCc3ccccc3	115
+CC(C)(C)OC(NCCN(CCCCC)Cc1ccc(cc1)OC(F)(F)F)=O	61
+CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCN	12
+CC(C)(C)OC(NCCNc1c(C)c(nc(Oc2ccccc2)c1[N+]([O-])=O)C)=O	136
+CC(C)(C)OC(=O)NCCn1c2c(c(nc(c2C)C)Oc3ccccc3)nc1C	1700
+CC(C)(C)OC(NCCNc1c(C)c(C)nc(c1N)Oc2ccccc2)=O	13
+CC(C)(C)OC(NCCn1c2c(ccc(Br)c2)nc1)=O	2854
+CC(C)(C)OC(NCCNc1c(ccc(Br)c1)N)=O	0
+CC(C)(C)OC(NCCNc1c(cnc2c1ccc(c2)OCc3ccccc3)N)=O	13
+CC(C)(C)OC(NCCNc1cc(ccc1N)OC)=O	0
+NCCNc1nc(c2ccccc2n1)N(C)c3ccc(c(c3)OC)OC	12
+CC(C)(C)OC(NCCOCCNc1c2c(cccc2)ncc1N)=O	13
+CC(C)(C)OC(NCCOCCn1cnc2cnc3c(c12)cccc3)=O	919
+CC(C)(C)OC(NCCOCCOCC)=O	481
+CC(C)(C)OC(=O)NCCOCCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)NCCOCCOc1cc([N+]([O-])=O)ccc1	20
+C(COCCN)OCC	12
+C(CCCCC)OCCOCCN	12
+C(CCOCCOCCN)CCCCl	12
+CC(C)(C)OC(NCCOCCOCCNC(=O)COc1c(OC)cc(C=CC(=O)OC)cc1)=O	9
+CC(C)(C)OC(NCCOCCOCCNC(COc1ccc(C=CC(O)=O)cc1OC)=O)=O	127
+O=C(CCCCC(=O)O)NCCOCCOCCOCCN	12
+CC(C)(C)OC(NCCOCCOCCOCCOCCC(Nc1nc(c(-c2ccc(c(c2)S(=O)(=O)C)Cl)s1)C)=O)=O	373
+CC(C)(C)OC(NCCOCCOCCOCCOc1c(OC)c(OC)cc(C=O)c1)=O	494
+CC(C)(C)OC(NCCOCCn1c2c(c(N)nc3c2cccc3)nc1)=O	445
+CC(C)(C)OC(NCCOCCn1cnc2c(N)[n+](c3ccccc3c12)[O-])=O	574
+CC(C)(C)OC(NCCOCCn1cnc2c[n+](c3ccccc3c12)[O-])=O	359
+CC(C)(C)OC(NCCOc1c(OC)cc(-c2ccc3n(c(c(n3)C)-c4cc(c(N)nc4)C(F)(F)F)n2)cc1)=O	7564
+FC(F)(F)c1cc(cnc1N)-c2c(nc3ccc(-c4ccc(c(OC)c4)OCCN)nn23)C	12
+CC(C)(C)OC(NCCOc1cncc(-c2cc3CCC(=O)N(C)c3cc2)c1)=O	156
+C1C(CC1)(C=2c3cc(ccc3CCN=2)OCCN)c4nc(Cl)ccc4	12
+CC(C)(C)OC(NCCOc1c(OC)cc(cc1)NC(=O)c2[nH]cc(-c3ccc(cc3)Cl)c2)=O	187
+CC(C)(C)OC(NCCOc1ccc(cc1)NS(=O)(=O)c2ccccc2)=O	69
+CC(C)(C)OC(NCCOc1ccc(cc1)N)=O	0
+c1ccccc1S(=O)(=O)n2c3c(cc2)cc(cc3)OCCN	12
+CC(C)(C)OC(NCCSSCCNC(c1cnccc1)=O)=O	56
+CC(C)(C)OC(NCCc1ccc(cc1N)C(C)C)=O	0
+CC(C)(C)OC(=O)NCCc1ccc(cc1O)C(C)C	16
+CC(C)(C)OC(NCCc1cn(C)c2c1cccc2)=O	144
+CC(C)(C)OC(NCCc1c2c(cc(N)cc2)[nH]c1)=O	0
+c1c(cc(CCN)cc1)C#N	12
+NCCc1cc(Cc2cccnc2)cc(CCC(OCC)=O)c1	12
+c1cc(ccc1F)Cc2cc(cc(CCC(OCC)=O)c2)CCN	12
+CC(C)(C)OC(NCCc1ccc(cc1)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(NCCc1ccc(cc1)CN(C)C)=O	2141
+CC(C)(C)OC(NCCc1c(cc(C(C)C)cc1)NC(=O)C(OCC)=O)=O	994
+C(CN)c1c2ccccc2n(C)c1	12
+n1(CCN)c(Cl)c(c(C(=O)OC)c1)-c2cc(ccc2)C#N	12
+CC(C)(C)OC(NCCn1ncc2c(cc(C3CC3)nc12)C(=O)O)=O	6
+C1CC(CCN1C(c2cc3ccn(CCN)c3cc2)=O)Oc4ccc(cc4)Cl	12
+CC(C)(C)OC(=O)NCCn1c2c(ncnc2Nc3ccc(Oc4cc(ccc4)OC(F)(F)F)c(C)c3)cc1	1190
+c1ccccc1COc2cc3n(CCNC3=O)n2	7565
+c1ccccc1COc2nn(CCN)c(C(OCC)=O)c2	12
+CC(C)(C)OC(NCc1c(nc(c(C(O)=O)c1-c2ccc(cc2)C)C)CC(C)C)=O	1
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(cc2)OCC#N)c1-c3ccc(cc3)C)=O	489
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(C(=O)O)cc2)c1-c3ccccc3)=O	1
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(OCC(=O)NC)cc2)c1-c3ccc(cc3)C)=O	9
+CC(C)(C)OC(NCc1c(c2c(ccc(OCc3[nH]nnn3)c2)nc1CC(C)C)-c4ccc(cc4)C)=O	420
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(OCC(=O)O)cc2)c1-c3ccc(cc3)C)=O	4
+CC(C)(C)OC(NCc1ccc(Cl)cc1CNC(=O)C2NCCCC2)=O	7566
+CC(C)(C)OC(NCc1c(Cl)c(N=C=S)c(Cl)c(F)c1)=O	1381
+CC(C)(C)OC(NCc1c(c(Cl)cc(C(OC)=O)c1)F)=O	128
+C1CN(CCN1c2c(cc([N+]([O-])=O)cc2C)CN)C	12
+c1c(CN)c(c(Cl)cc1C(=O)OC)F	12
+CC(C)(C)OC(NCc1c(c2c(ccc(OCCCCC(=O)N)c2)nc1CC(C)C)-c3ccc(cc3)C)=O	83
+CC(C)(C)OC(NCc1c(c2c(ccc(OCCCCC(=O)O)c2)nc1CC(C)C)-c3ccc(cc3)C)=O	3
+CC(C)(C)OC(NCc1c(cc(F)cc1)OCCCCS(=O)(=O)N(c2nc(C(=O)OC)c(c3c2cccn3)OC)C)=O	4206
+CC(C)(C)OC(NCc1c(nc(c(c1-c2ccc(cc2)C)C(OCCCC(=O)OCC)=O)C)CC(C)C)=O	1908
+CC(C)(C)OC(NCc1c(-c2ccc(cc2)C)c(c(nc1CC(C)C)C)C(OCC#N)=O)=O	7567
+CC(C)(C)OC(NCc1c(nc(c(c1-c2ccc(cc2)C)C(OCCCC(=O)O)=O)C)CC(C)C)=O	3
+c1cc(ccc1-c2cc3c(c(O)n2)cccc3CN)CN4CCN(CC4)C	12
+CC(C)(C)OC(=O)NCc1ccc(c(C(=O)Nc2ccc(OC)c(c2)C(Nc3ccc(cc3)Br)=O)c1)Cl	67
+CC(C)(C)OC(=O)NCc1cc(F)c(c(c1)F)Oc2cc(Oc3ccc(cc3)C#N)cc(C(=O)OCC)c2	46
+CC(C)(C)OC(NCc1cccc(NS(=O)(=O)C)c1)=O	80
+CC(C)(C)OC(=O)NCc1cc(ccc1)Nc2nc(Nc3c(C(=O)NC)cccc3)c(cn2)Cl	55
+CC(C)(C)OC(NCc1cc(C)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(OC)n1)=O	14
+CC(C)CCn1c(nc2cc(CN)ccc12)CN3c4ccccc4C(=O)N(C5CC5)C3=O	12
+CC(C)(C)OC(N(Cc1ccc2c(c1)nc(n2CCC(C)C)CN3c4ccccc4C(=O)N(C5CC5)C3=O)C)=O	397
+CC(C)(C)OC(NCc1c(CNC(C2N(C(=O)OCC3c4c(-c5c3cccc5)cccc4)CCCC2)=O)cc(Cl)cc1)=O	9
+CC(C)(C)OC(NCc1ccc(F)cc1OCCCCC(=O)O)=O	3
+CC(C)(C)OC(=O)NCc1ccc(c(c1)Cl)COC	49
+CC(C)(C)OC(=O)NCc1ccc(Cl)c(Nc2[nH]c3cc(c(Cl)cc3n2)N4C(CCC4)CN(C)C)c1	1701
+CC(C)(C)OC(=O)NCc1cc(Nc2n(C)c3c(n2)cc(C(=O)OCC)c(OCC(F)F)c3)c(Cl)cc1	1023
+c1(c(OCc2ccc(nc2)OC)ccc(c1)CN)OC	12
+c1cc(ccc1CN(CC(OCC)=O)CCCCN(CCC)CCC)CN	12
+O=S(=O)(N(Cc1ccc(cc1)F)Cc2ccc(cc2)CN)c3c(c(Cl)cc(Cl)c3)O	12
+CC(C)(C)OC(NCc1ccc(cc1)CNC(=O)N2CCN(CC2)C(=O)CN)=O	334
+CC(C)(C)OC(NCc1ccc(cc1)CN(CCCCN(CCC)CCC)CC(OCC)=O)=O	303
+CC(C)(C)OC(NCc1ccc(cc1)CN(S(=O)(=O)c2c(c(Cl)cc(Cl)c2)O)Cc3ccc(cc3)F)=O	92
+CC(C)(C)OC(NCc1cc(N)ccc1)=O	0
+CC(C)(C)OC(NCC1CCCCN1)=O	4201
+CC(C)(C)OC(N(Cc1ncccc1)C)=O	397
+C1CCCC1N2C(CC)C(=O)N(C)c3cnc(-c4ccncc4CN)nc23	12
+CC(C)(C)OC(NCc1cc(c(c(OC)n1)CN)C)=O	388
+CC(C)(C)OC(=O)NCc1nc2C(=O)N(C(=O)N(C)c2[nH]1)CCCCC(O)C	2152
+CC(C)(C)OC(=O)NCc1ncc(CC(N2CCc3ccccc3C2)=O)c4c1cc(OC)c(OC)c4	10
+NCc1ncc(c2cc(OC)cc(OC)c12)C(=O)N3Cc4c(cccc4)CC3	12
+FC(F)(F)c1c(sc(CNC(=O)OC(C)(C)C)n1)C#N	1812
+CC(C)(C)OC(=O)NCc1ncc(CO)s1	4124
+C1CCCC1N(N)c2c(Br)cnc(n2)C#N	2133
+CC(C)(C)OC(=O)NN(C1CCOCC1)c2nc(ncc2Br)C#N	738
+CC(C)(C)OC(NNC(C(c1cc(c(OC)cc1C)C(C)C)CCCCl)=O)=O	7568
+CC(C)(C)OC(=O)NNC(=O)c1ccc(C)c(-c2ccn3c(-c4c(cccc4)Cl)nnc3c2)c1	2031
+FC(F)(F)C=1N(C)C(N(C(=O)C=1)c2cc(C(NNC(=O)OC(C)(C)C)=O)c(Cl)cc2F)=O	7569
+CC(C)(C)OC(=O)NNC(=O)c1cc(nc(c1)N(S(=O)(=O)C)C)N(CCOC)CC2C(C)C2	2031
+CC(C)(C)OC(NNC(=O)c1ccccc1-c2nc3ccc(F)cn3c2Nc4c(cccc4C)C)=O	2031
+CC(C)(C)OC(=O)NNC(OCCc1ccc(cc1)[N+]([O-])=O)=O	7570
+CC(C)(C)OC(=O)NNC1CC2CC1CN2C(OCc3ccccc3)=O	3710
+CC(C)(C)OC(N(NC(=O)OC(C)(C)C)c1ccc2n(c(-c3occn3)cc2n1)Cc4ccccc4)=O	4207
+CC(C)(C)OC(=O)N(NC(=O)OC(C)(C)C)c1ccc2c(n1)cc(C#N)n2Cc3ccccc3	4207
+c1cc(ccc1C(=O)OC)C(=O)NN	1685
+c1(cccc(C)c1Nc2c(nc3ccc(F)cn23)-c4ccccc4C(NN)=O)C	1685
+CC(C)c1c(OC)cc(C)c(C(C(=O)NN)CCCCl)c1	2132
+CC(C)(C)OC(NN(c1c(Br)cnc(Cl)n1)C2CCOCC2)=O	7571
+CC(C)(C)OC(=O)Nn1c(COCC)nc2c(Cl)nc(C)c(C)c12	7572
+CC(C)(C)OC(NNc1c(N)c(nc(C)c1C)Cl)=O	13
+CC(C)(C)OC(=O)NNc1cc(C(=O)O)ccc1	1
+CC(C)(C)OC(=O)NN(C(C1C(C2(C)C(C)(C)C1CC2)=O)=O)c3c(cc(F)cc3)Cl	7573
+CC(C)(C)OC(=O)NOCCCCN1C(c2c(C1=O)cccc2)=O	7574
+CC(C)(C)OC(=O)NOCC(O)=O	4
+Cc1c(-c2c(cncc2)NC)cccc1	352
+CC(C)(C)OC(=O)N(C)c1cncnc1-c2c(C)cccc2	4136
+c1cc(ccc1-c2c(c(no2)C)N)Br	2809
+CC(C)(C)OC(=O)Nc1c(noc1-c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(NS(=O)(=O)C)=O)C	99
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)CC(NC(C)=O)C(=O)NCC(CC(C)(C)CC)O)cn(C)n1)=O	248
+c1cc(ccc1-c2c(nn(c2)C)N)CC(NC(=O)C)c3[nH]c(CC(C)(C)CC)cn3	451
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)CC(NC(=O)C)c3[nH]c(CC(C)(C)CC)cn3)cn(C)n1)=O	4186
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)CC(NC(C)=O)C(=O)NCC(CC(C)(C)CC)=O)cn(C)n1)=O	86
+CC(C)(C)OC(=O)Nc1ccc2c(c1-c3ccccc3)cccn2	495
+CC(C)(C)OC(Nc1sc(nc1C(=O)NC)-c2ccccc2)=O	2405
+CC(C)(C)OC(=O)Nc1c(c(C)ccc1)C(=O)Nc2ccc(cc2)C	67
+CC(C)(C)OC(Nc1c(C)ccc(c1)Oc2cnc(N)cc2)=O	161
+CC(C)(C)OC(Nc1cc(ccc1C)CC)=O	414
+CC(C)(C)OC(Nc1c(C)[n+](c(Cl)cc1)[O-])=O	103
+CC(C)(C)OC(Nc1c(C)nc(nc1C)OCC(N(C2CCNCC2)C)=O)=O	25
+CC(C)(C)OC(Nc1c(C)nc(nc1C)OCC(N(C)C2CCN(CC2)c3ccccc3)=O)=O	7575
+CC(C)(C)OC(Nc1c(C)nc(nc1C)OCC(=O)N(C)C2CCN(CC2)Cc3ccccc3)=O	10
+c12c(n[nH]c1ccc(C=O)c2)C=Cc3cnccc3N	78
+Cc1cc2c(F)cccc2[nH]1	7576
+CC(C)(C)OC(=O)Nc1cc(C#N)cc(c1Cl)C(CCO)C	1382
+c1(Nc2ncc3c(sc(NC(C)=O)n3)n2)c(Cl)cc(F)c(N)c1	78
+CC(C)(C)OC(Nc1c(F)cc(Cl)c(Nc2ncc3nc(NC(C)=O)sc3n2)c1)=O	290
+CC(C)(C)OC(Nc1c(F)cc(Cl)c(c1)Nc2nc3c(nc(N)s3)cn2)=O	2811
+C1CC1C(Nc2nc3ccc(nc3s2)Oc4cc(N)c(cc4)F)=O	78
+Nc1c(I)cc(Cl)nc1	473
+c1(c(Cl)cc(c(N)c1)NC(CC(c2cc(-c3onc(c3)C)ncc2)=O)=O)N(C)CCOC	78
+O=C1Nc2c(NC1=O)c(C#N)c(s2)SC	7577
+CN(C)CCOc1ccc2sc(C(Nc3ccccc3N)=O)cc2c1	78
+C1CCC(C1)n2c3ncnc(Cl)c3c(-c4cc(OC)c(cc4)N)c2	78
+c1(-c2cnccc2)nc(Oc3cccc(C#N)c3)c(N)cn1	4208
+CC(C)(C)OC(=O)Nc1cc(N(C)C)c(cc1[N+]([O-])=O)C	202
+CC(C)(C)OC(Nc1cc(NC(C)C)c(Cl)cc1N)=O	0
+FC(F)(F)c1ccc(NC(OC(C)(C)C)=O)c(c1)N	0
+C[Si](C)(C)C#Cc1cc(c(cc1)NC(OC(C)(C)C)=O)[N+]([O-])=O	311
+CC(C)(C)OC(Nc1c(cc(-c2cc(F)ccc2F)cc1)[N+](=O)[O-])=O	134
+CC(C)(C)OC(Nc1ccc(-c2ccc(cc2)OC)cc1[N+](=O)[O-])=O	134
+CC(C)(C)OC(=O)Nc1ccc(-c2c(cccc2)F)cc1[N+](=O)[O-]	134
+CC(C)(C)OC(Nc1ccc(-c2cocc2)cc1[N+]([O-])=O)=O	7578
+CC(C)(C)OC(Nc1ccc(-c2occc2)cc1[N+]([O-])=O)=O	4209
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+](=O)[O-])-c2ccccc2Cl	7579
+CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccccc2)cc1[N+](=O)[O-]	129
+CC(C)(C)OC(Nc1c(c(OC)cc(OC)c1C)Cl)=O	662
+COc1c(Cl)c(N)c(c(OC)c1)C	78
+CC(C)(C)OC(=O)Nc1c(cc(cc1)-c2c(ccc(F)c2)F)N	0
+CC(C)(C)OC(=O)Nc1c(NC(=O)CC(=O)c2cccc(C#N)c2)cc(-c3occc3)cc1	1397
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+](=O)[O-])C#Cc2ccccc2F	129
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(cc1)C#Cc2c(cc(F)cc2)F)=O	129
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+](=O)[O-])C#Cc2ccc(cc2)F	129
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(c(c1)NC(C)C)Cl)=O	205
+CC(C)(C)OC(=O)Nc1c(cc(c(c1)N(C)C)Cl)[N+](=O)[O-]	202
+CC(C)(C)OC(Nc1cc(N2CCSCC2)c(cc1N)C(F)(F)F)=O	0
+CC(C)(C)OC(Nc1ccc(-c2cccnc2)cc1N)=O	0
+CC(C)(C)OC(Nc1c(cc(Oc2ccnc(NC)c2N)cc1)F)=O	13
+CC(C)(C)OC(Nc1cc(Cl)ccc1C=CC(O)=O)=O	127
+Nc1c(C)ccc(O)c1C	78
+CC(C)(C)OC(Nc1c(F)ccc(Oc2ccc3nc(sc3n2)N)c1)=O	2153
+CC(C)(C)OC(=O)Nc1c(ccc(N)c1)F	0
+CC(C)(C)OC(Nc1c(C)ccc(Oc2cnc([N+]([O-])=O)cc2)c1)=O	706
+CC(C)(C)OC(Nc1c(ccc(Oc2ncc(N)cc2)c1)F)=O	13
+CC(C)(C)OC(Nc1c(ccc(c1)Oc2cn3nc(nc3cc2)N)C)=O	982
+C1CC1C(=O)Nc2nc3n(cc(Oc4cc(c(C)cc4)N)cc3)n2	78
+CC(C)(C)OC(Nc1c(NC(c2cc3cc(OCCN(C)C)ccc3s2)=O)cccc1)=O	72
+CC(C)(C)OC(Nc1c(cccc1)NC(=O)c2cc3c(ccc(c3)O)s2)=O	818
+c1(c(N)c(ccc1)NC)F	78
+CC(C)(C)OC(Nc1c(nccc1C(=O)O)OC)=O	4210
+O(c1c(N)c(ccn1)C(=O)O)C	473
+c1ccccc1-c2c(ccs2)NC	352
+C(OCOc1cc2c(cc1)cccc2NC)COC	352
+Nc1c2c(nc(cc2)-c3[nH]ncc3)ccc1Cl	78
+CC(C)(C)OC(Nc1c2c(nn(-c3ccc(cc3)N)c2ncn1)I)=O	0
+Nc1c2c(ccc(OCC)c2)ccc1	78
+CC(C)(C)OC(=O)Nc1cc(C)cc(-c2ccncc2N=C=S)c1	7580
+FC1(F)CC(C1)c2onc(-c3cc(N)c(C)cc3)n2	78
+c1(nc(cc(Br)c1)N)C(=O)OC	451
+CC(C)(C)OC(=O)Nc1onc(C(C)(C)CO)c1	168
+c1c(C)c(c(cc1N)C)Cc2ccc(c(Cc3ccc(cc3)F)c2)OC	78
+CC(C)(C)OC(Nc1cc(c(CN)c(OC)n1)C)=O	388
+CC(C)(C)OC(=O)Nc1cc(C)c(c(c1)C)C(c2ccc(OC)c(c2)Cc3ccc(cc3)F)O	257
+FC(F)(F)c1c(cc(c(c1)N)N)C	78
+C1CN(CCN1Cc2cc(N)cc(c2)C)C(C)=O	78
+c1cc(ccc1)-c2c(C3=NN(C(C=C3)=O)C(C)C)cc(cn2)N	473
+Nc1cc(ccc1[N+]([O-])=O)C=2CCCC=2	78
+CC(C)(C)OC(Nc1cc(C=O)ncn1)=O	7581
+CC(C)(C)OC(=O)Nc1cc(ncn1)CO	453
+c1cc([N+](=O)[O-])c2ccccc2c1OCCc3cc(NC(C)=O)ncc3	4107
+CC(C)(C)OC(Nc1cc(Cl)c(c(c1)Cl)OCC)=O	116
+c1(cc(cc(Cl)c1OCC)N)Cl	78
+CC(C)(C)OC(Nc1cc(ccc1C=CC(N2CCN(CC2)Cc3ccc(cc3)F)=O)Cl)=O	404
+CC(C)(C)OC(Nc1n2ncc(c2nc(c1)Cl)C=O)=O	2022
+CC(C)(C)OC(=O)Nc1ccnc(Cl)c1C=O	1031
+Fc1cc(cc(F)c1CSc2n(c(cn2)C(C)(C)c3ccc(Cl)c(OC)c3)-c4ccc(cc4)F)N	78
+c1cc(ccc1F)-c2cccc(c2)S(=O)(=O)N(C)c3cc(ccc3)N	78
+CC(C)(C)OC(=O)Nc1ccc(c(Nc2nc(ncc2Cl)Cl)c1)F	73
+CC(C)(C)OC(Nc1c(F)cc(c(Nc2ncc([N+]([O-])=O)c(SC#N)n2)c1)Cl)=O	55
+N1(C(C=C(C)C1=O)=O)c2cc(N3C(C(OC)=CC3=O)=O)cc(N)c2	78
+c1(cccc(N)c1)N2C(=O)NCC2	78
+c1c(N)cc(cc1)N2CCc3n4nccc4ncc3C2	78
+CC(C)(C)OC(Nc1cc(N(S(=O)(=O)c2cc(ccc2)-c3ccc(cc3)F)C)ccc1)=O	416
+c1(C)ccc(N)cc1Nc2n(ncn2)-c3cc(NC)ncn3	78
+CC(C)(C)OC(Nc1c(c(OC)cc(OC)c1)C)=O	1297
+CC(C)(C)OC(Nc1c(ccc(c1)Oc2ccc3nc(NC(=O)OCC)nn3c2)C)=O	977
+CC(C)(C)OC(Nc1cc(C)c(cc1N)C(F)(F)F)=O	0
+CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1	14
+CC(C)(C)OC(=O)Nc1cc(N)c(CCOC(C)=O)c2ccccc12	0
+C(C)N(CC)c1c(C#N)cc2NC(CC(=Nc2c1)c3cc(ccc3)-c4onc(C)c4)=O	690
+CC(C)(C)OC(=O)Nc1c(cc(c(N2CCCC2)c1)Cl)N	0
+c1ccccc1COc2cc(cc(c2)OCCCCCCCCCCCCCCCCCC)N	78
+c1cc(ccc1)-c2oc(C3=CCCCC3Cc4cccc(c4)N)nc2-c5ccccc5	78
+CC(C)(C)OC(Nc1cccc(N2c3c(c(N)ncn3)N(c4ccc(cc4)Oc5ccccc5)C2=O)c1)=O	7582
+CC(C)(C)OC(Nc1cc(ccc1C)C(N)=NO)=O	253
+CC(C)(C)OC(=O)Nc1cc(cnc1Cl)Nc2c(-c3nc(nc(N)n3)C)cc(OC)cn2	2097
+CC(C)(C)OC(Nc1ccc2c(CC3(CC3)C2CC(O)=O)c1)=O	2154
+C1CC12Cc3cc(N)ccc3C2CC(=O)OC	78
+C1COCCN1C=2OC(c3c4Sc5ccc(N)cc5Sc4ccc3)=CC(C=2)=O	78
+CC(C)(C)OC(Nc1ccc2[nH]cc(CC(=O)OC)c2c1)=O	2155
+CN(C)c1nc2n(n1)ccc(c2)N	78
+CC(C)(C)OC(=O)Nc1c(cc(cc1)-c2ccc(cc2)OC)N	0
+c1cnc(SCOC)n1-c2cccc(C(=O)CC(=O)Nc3c(N)ccc(c3)-c4ccccc4F)c2	78
+n1n(cnn1)-c2cccc(C=3CC(Nc4c(ccc(c4)-c5ccccc5F)N=3)=O)c2	690
+c1c(c(ccc1)F)-c2cc(c(N)cc2)NC(=O)CC(c3sc(cc3)C#N)=O	78
+c12ccc(-c3cnccc3)cc1NC(CC(c4cccc(C#N)c4)=N2)=O	7583
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(OC)=O)CNC(=O)NC	67
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(Nc4ccccc4)=O)CNC(C)=O	67
+CC(C)(C)OC(Nc1ccc(cc1N)-c2cocc2)=O	0
+CC(C)(C)OC(Nc1c(cc(-c2ccco2)cc1)N)=O	0
+CC(C)(C)OC(=O)Nc1c(C(OCc2ccccc2)=O)c(c(Br)cc1)C	470
+CC(C)(C)OC(Nc1ccc(C(OCC)=O)cc1N)=O	0
+CC(C)(C)OC(Nc1ccc(cc1C)C(c2ccc(cc2)Cl)=C)=O	2855
+C1CC1Nc2c3scc(C(Nc4c(C)ccc(N)c4)=O)c3ncn2	78
+c1cc(ccc1C(=O)OCC)-c2c(ccc(c2)N)C	78
+CN(C)CCOc1c(C)ccc(N)c1	78
+CC(C)(C)OC(Nc1ccc(CCI)nc1)=O	343
+Nc1ccc(c(C2(C)NC(=N)c3n(c(c(Cl)n3)C#N)C2)c1)F	7584
+c1c(cccc1C(=O)CC(=O)Nc2c(N)ccc(I)c2)C#N	78
+CC(C)(C)OC(Nc1ccc(c(C#Cc2ccccc2)n1)N)=O	943
+CC(C)(C)OC(Nc1ccc(cc1N)N2CCCC2)=O	0
+c1ccccc1S(=O)(=O)Nc2c(C#Cc3ccccc3)nc(N)cc2	451
+CC(C)(C)OC(Nc1ccc(NS(=O)(=O)c2ccccc2)c(C#Cc3ccccc3)n1)=O	322
+c1cc(ccc1-c2ccc3c([nH]nc3c2F)N)N	78
+c1cc(ccc1C(Nc2cc(Nc3nc(c(Cl)cc3)-c4c5ccccc5n(S(=O)(=O)c6ccccc6)c4)ccc2)=O)N	78
+c1cc(ccc1N)C(N2CC(CC2)Nc3ncc(Cl)c(-c4c5c(n(S(=O)(=O)c6ccccc6)c4)cccc5)n3)=O	78
+CC(C)(C)OC(Nc1ccc(cc1)CCOc2ccc(cc2)CC(OCC)C(OCC)=O)=O	126
+CC(C)(C)OC(Nc1ccc(cc1)CCOc2ccc(cc2)CC(OCC)C(O)=O)=O	3
+c1cc(ccc1N)Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC	78
+c1cc(ccc1N)Oc2cc(-n3cncn3)ncn2	78
+c1cc(ccc1Cl)C(=O)c2cc(c(N)cc2)Br	78
+CC(C)(C)OC(Nc1ccc(cc1C)C2(c3ccc(cc3)Cl)ON=C(C)C2)=O	7585
+c1cc(ccc1Cl)C2(c3ccc(c(c3)C)N)ON=C(C)C2	78
+CC(C)(C)OC(=O)Nc1c(F)cc(cc1)-c2ccc3c(n[nH]c3c2F)N	575
+CC(C)(C)OC(Nc1ccc(cc1F)-c2ccc(C#N)c(c2F)F)=O	368
+CC(C)(C)OC(=O)Nc1ccc(-c2sccc2)cc1NC(N(C)C)=O	2083
+C1CC2CCN1CC2Oc3nnc(cc3)-c4ccc(c(c4)[N+](=O)[O-])N	78
+CC(C)(C)OC(Nc1ccc(cc1N)-c2cccs2)=O	0
+CC(C)(C)OC(Nc1ccc(cc1[N+](=O)[O-])-c2sccc2)=O	809
+c1[nH]c2c(c1CC(OC)=O)cc(N)cc2	78
+CC(C)(C)OC(Nc1cc2c(C(CC(=O)OC)C3(CC3)C2)cc1)=O	325
+C1CN(CCN1C)c2ccc(Nc3nc4c(C=C(CC)C(=O)N4c5cc(N)ccc5)cn3)c(OC)c2	78
+CC(C)(C)OC(Nc1cccc(N2c3c(cnc(S(C)=O)n3)C=C(CC)C2=O)c1)=O	172
+c1cc(ccc1Oc2ccccc2)N3c4c(N)ncnc4N(C3=O)c5cccc(c5)N	78
+CC(C)(C)OC(=O)Nc1cc(N(C2CC2)c3ncc([N+]([O-])=O)c(SC#N)n3)ccc1	4211
+CC(C)(C)OC(Nc1cccc(Oc2cc(F)cc(Nc3c(F)cc(cc3)I)c2C(N)=O)c1)=O	216
+c1c(I)cc(c(Nc2cc(cc(Oc3cccc(N)c3)c2C(=O)N)F)c1)F	78
+CC(C)(C)OC(=O)Nc1cc(ccc1)C=Cc2cc(OC)cc([N+](=O)[O-])c2	722
+CC(C)(C)OC(=O)Nc1nc(CCN)ccc1	18
+CC(C)(C)OC(=O)Nc1nc(CCOS(=O)(=O)c2ccc(cc2)C)ccc1	36
+Nc1cccc2CCCN(C)c12	78
+CC(C)(C)OC(=O)Nc1c(C(O)=O)ccnc1	4210
+C1CCN(C1)c2nc3cc(ccn3n2)N	78
+CC(C)(C)OC(Nc1c(C=Cc2c3c(n[nH]2)ccc(C=O)c3)cncc1)=O	146
+Nc1ccsc1C(Nc2cccc(OC)c2)=O	4029
+c1c(nn2cc(nc2c1)N)I	2856
+CC(C)(C)OC(=O)Nc1nc(C)c(CN)nc1	4212
+Cc1nc(cnc1CNC(c2nnn(Cc3ccc4c(ccc(n4)C)c3)c2)=O)N	2856
+CC(C)(C)OC(Nc1conc1-c2ccc(cc2)OCc3cccnc3)=O	20
+c1cc(ccc1-c2nocc2N)OCc3cccnc3	2809
+CC(C)(C)OC(Nc1cc(sc1)C#Cc2c(cccc2)NC(N)=O)=O	3220
+CC(C)(C)OC(Nc1scc(C(O)=O)n1)=O	6
+CC(C)(C)OC(Nc1scc(CO)n1)=O	1171
+CC(C)(C)OC(Nc1nc(CCO)cs1)=O	44
+CC(C)(C)OC(Nc1nc(cs1)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(Nc1nc(CCc2cc(Nc3c(F)cnc(Cl)n3)ccc2)ccc1)=O	73
+c1(nc(N)sc1)CN(C)C(c2nccnc2C)=O	1398
+C1N(c2nc(ccc2)N)CCCC1NC(C=C)=O	451
+c1ccccc1C#Cc2nc(N)ccc2NC(C3CCOCC3)=O	451
+c1ccccc1-c2cc(cc(N)n2)Cl	451
+CC(C)(C)OC(Nc1nc(CCc2cccc(N)c2)ccc1)=O	801
+CC(C)(C)OC(=O)Nc1scc(n1)CCOc2ccc(cc2)F	885
+C1CN(CCC1c2ccccc2)Cc3cnc(N)s3	1398
+CC(C)(C)OC(=O)Nc1ccc(cn1)-c2ccccc2	89
+c1(C=2NC(=O)ON=2)cnc(cc1)N	451
+O=S(=O)(C)c1cccc(-c2cc3c(c(N4CCOCC4)nc(n3)-c5cnc(nc5)N)cc2F)c1	7586
+n1cc(ncc1N)COC(C)=O	2856
+CC(C)(C)OC(=O)Nc1ncc(CO)s1	1503
+c1cc(ccc1C(Nc2ncc3c(Br)cn(c3c2)CC)=O)C(=O)OC	7587
+Nc1nccc(Cl)c1C=O	451
+CC(C)(C)OC(=O)Nc1cc(ccn1)CCc2cccc(c2)N	1702
+CC(C)(C)OC(Nc1nccc(Oc2cnc(cc2)N)c1)=O	161
+CC(C)(C)OC(=O)Nc1cc(no1)-c2cc(ccc2)-c3ccc(cc3)C(=O)N4CCN(CC4)C(OCc5ccccc5)=O	99
+CC(C)(C)OC(=O)Nc1c(C#N)c(c(C(=O)O)s1)C	1
+c1cc(ccc1)C(=O)c2ccc(s2)N	2813
+c1cc(ccc1)-c2sc(c(C(NC)=O)n2)N	2808
+CC(C)(C)OC(=O)Nc1c(nc(-c2c(F)cc(cc2F)C3CCOCC3)s1)C(OCC)=O	4213
+CC(C)(C)OC(Nc1nc(C(N(C)C)=O)cs1)=O	837
+CC(C)(C)OC(N1CC(CC1Cc2c3ccccc3[nH]c2C)O)=O	7588
+CC(C)(C)OC(=O)c1cc(Cl)nc(c1)Cl	1933
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(O)=O	1885
+CC(C)(C)OC(C1C(CCC1)NS(=O)(=O)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4)=O	1885
+CC(C)(C)OC(=O)c1cc(Cl)nc(c1)C	1933
+c1cc(ccc1-c2nn3c(SC)nccc3c2C(C=CN(C)C)=O)F	7589
+CC(C)(C)OC(c1ccc(cc1)SCCCCCCCCCC(OC)=O)=O	1933
+CC(C)(C)OC(Oc1cc(c(cc1)OC(CCI)c2ccccc2)C)=O	363
+CC(C)(C)c1ccc(cc1OCc2ccccc2)O	7590
+CC(C)(C)OC(Oc1cc(C)c(cc1)OC(c2ccccc2)CCCl)=O	4214
+CC(C)(C)OC(Oc1ccccc1C(O)=O)=O	500
+CC(C)(C)OC(c1c(c(c(CC(O)=O)[nH]1)C(OCC)=O)C)=O	3
+CC(C)(C)OC(c1c(-c2ccc(cc2)Cl)c3sc(nc3cc1C)-c4ccnc(c4)N5CCN(CC5)CC)C(OCC)=O	183
+CC(C)(C)OC(c1c(cc2nc(sc2c1-c3ccc(cc3)Cl)-c4ccnc(c4)N5CCN(CC5)CC)C)C(O)=O	3
+CC(C)(C)OC(c1c(cc2c(c1-c3ccc(cc3)Cl)sc(-c4cc(c(cc4)NC)[N+](=O)[O-])n2)C)C(=O)OCC	7591
+CC(C)(C)OC(c1c(nc2cc(-c3cc(Cl)ccc3)nn2c1-c4c(C)c5CCCOc5c(F)c4)C)C(OC)=O	4153
+CC(C)(C)OC(c1c(cc(COc2cc(c(cc2)Cl)Cl)c(Cl)c1)F)=O	20
+c1c(I)cc(c(Nc2c(ccc3sncc23)C(=O)O)c1)F	153
+c1cc(ccc1Br)C2(CCCC2)Cc3nc(C(=O)O)c(c(O)n3)OCc4ccccc4	153
+Clc1cccc(Cl)c1Cc2nc(c(c(n2)O)OCc3ccccc3)C(=O)O	153
+CC(C)(C)OC(C(=O)O)c1c(ccc2ccccc12)OCc3ccccc3	3
+CC(C)(C)OC(=O)c1c(N)cc(C#N)cn1	13
+C(C)OC(c1c(CC(=O)O)[nH]cc1C)=O	7592
+CC(C)(C)OC(c1oc2c(c1C)c(c(cc2)Br)OC)=O	65
+CC(C)(C)OC(c1c(c2c(nc(c(O)c2C)C)s1)N)=O	2156
+CC(C)(C)OC(c1c(F)cc(c(Cl)c1)CO)=O	35
+O(Cc1c(cc(C(=O)O)c(F)c1)Cl)c2cc(c(Cl)cc2)Cl	153
+FC(F)(F)c1c(ccc(Oc2c(Cl)cc(C(=O)O)c(F)c2)c1)Cl	153
+CC(C)(C)OC(c1c(cc2nc(sc2c1-c3ccc(cc3)Cl)-c4ccc(NC)c(c4)N)C)C(=O)OCC	0
+CC(C)(C)OC(c1ccccc1-c2cc(c(cc2)Cn3c(C=O)c(nc3OCCC)Br)F)=O	371
+C1CCCCN1c2cc3c(c(c(nc3cc2)C)C(=O)O)-c4ccc(cc4)F	153
+CC(C)(C)OC(=O)c1cc(F)sc1-c2cc(c(cc2)-c3ccc(cc3)C4(CC4)C(=O)OCC)OC	4215
+CC(C)(C)OC(=O)c1cc(F)sc1-c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(=O)OCC	4215
+C1(c2c(cccc2)-n3c(C4CCN14)c(nc3)C(O)=O)=O	153
+c1(C)nc(cc(C(=O)O)c1)CC	153
+CC(C)(C)OC(c1cc(N(C)C)nc(CC)c1)=O	2651
+CC(C)(C)OC(c1cc(Cl)c(cc1F)Oc2cnc(c(Cl)c2)OCC(F)(F)C(F)F)=O	551
+CC(C)(C)OC(c1c(cc(c(c1)Cl)Oc2ccc(c(C(F)(F)F)c2)Cl)F)=O	46
+FC(F)(COc1c(Cl)cc(Oc2c(Cl)cc(C(=O)O)c(c2)F)cn1)C(F)F	153
+CC(C)(C)OC(c1cc2nncn2c(Cl)c1)=O	7593
+c1c(F)c(c(cc1C(O)=O)F)CSc2n(c(cn2)C(C)(C)c3ccc(Cl)c(OC)c3)-c4ccc(cc4)F	153
+C1CC1c2c(cc(cn2)Oc3cc(c(C(O)=O)cc3Cl)F)OC(F)(F)C	153
+C[Si](C)(C)C#Cc1cc(C(=O)OC(C)(C)C)ccc1	311
+CC(C)(C)OC(c1sc2NC(=O)C(=Cc3ccc[nH]3)c2c1)=O	7594
+C(C)OC(=O)n1nc(NC(c2c(cccc2)[N+]([O-])=O)=O)c3cc(sc13)C(=O)O	153
+CC(C)(C)OC(=O)c1ccc(-c2c(F)cccc2)nc1	119
+CC(C)(C)OC(c1ccc(c([N+]([O-])=O)c1)NC2CCN(CC2)c3nc(c4c(cc(c(OC)c4)OC)n3)N)=O	549
+C1CC(CCN1c2nc(c3c(cc(c(OC)c3)OC)n2)N)Nc4ccc(cc4[N+](=O)[O-])C(=O)O	153
+CC(C)(C)OC(=O)c1cc(C)c(cc1)-c2ccc(cc2)C#N	11
+CC(C)(C)OC(c1ccc(cc1)Oc2c(cc3c(OCCC3C(OCC)=O)c2)Cl)=O	304
+CC(C)(C)OC(=O)c1ccc(cc1)CCCCO	213
+c1cc(ccc1CCCCOCCCCBr)C(=O)O	153
+CC(C)(C)OC(=O)c1ccc(cc1)NCCN	60
+CC(C)(C)OC(c1ccc(cc1)N(c2ccc(C(=O)O)c(OC)c2)Cc3scnc3)=O	1
+c1cc(ccc1C(O)=O)N(c2cc(OC)c(cc2)C(N)=O)Cc3scnc3	153
+CC(C)(C)OC(c1ccc(cc1)N(c2cc(OC)c(cc2)C(N)=O)Cc3scnc3)=O	169
+CC1(C)C(C)(C)OB(O1)c2cccc(C(Nc3ccc(cc3)C(=O)OC(C)(C)C)=O)c2	67
+CC(C)(C)OC(c1ccc(cc1)NC(=O)C(C)N2C=C(C#N)C(=CC2=O)Br)=O	33
+CC(C)(C)OC(c1ccc(cc1)NC(=O)C(C)N2C(=O)C=C(c3c(ccc(Cl)c3)C#N)C(=C2)OCC)=O	33
+c1cc(ccc1NC(=O)C(C)N2C(=O)C=C(c3c(ccc(Cl)c3)C#N)C(=C2)OCC)C(O)=O	153
+CC(C)(C)OC(c1ccc(cc1)NC(C(C)N2C(C=C(c3cc(Cl)ccc3C4CC4)C(C#N)=C2)=O)=O)=O	7595
+FC(F)(F)Oc1c(cc(cc1)Cl)C2=CC(=O)N(C(C)C(=O)Nc3ccc(cc3)C(=O)OC(C)(C)C)C=C2C#N	7596
+CC(C)(C)OC(c1ccc(cc1)Oc2c(cc3C(CCOc3c2)C(=O)OC)C#N)=O	46
+c1cc(ccc1Oc2c(cc3C(CCOc3c2)C(=O)OC)C#N)C(=O)O	153
+c1cc(ccc1C(=O)O)Oc2c(cc3c(OCCC3C(OCC)=O)c2)Cl	153
+CC(C)(C)OC(c1ccc(cc1)SCCCCCCCCCC(O)=O)=O	4
+CC(C)(C)OC(=O)c1c([N+](=O)[O-])cc(C(O)=O)cc1	1
+CC(C)(C)OC(c1ccc(C(=O)O)cn1)=O	1
+C1CN(Cc2cncc(C(=O)OC)c12)c3cccc(C(=O)O)c3	153
+CC(C)(C)OC(c1ccccc1-c2ccc(Cn3c(nc(Br)c3C=NO)OCCC)c(F)c2)=O	2513
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(nc(C(CCC)O)c3C#N)CCC)=O	3458
+c1cc(ccc1-c2c(cccc2)C(=O)O)Cn3c(C)c(C)c4cc(ccc34)C(NC(C)c5ccccc5OC)=O	7597
+c1cc(ccc1Cn2c(c(C(O)CCC)nc2CCC)C(=O)N)-c3c(cccc3)C(=O)O	153
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(C)c(c4cc(C(=O)O)ccc34)C)=O	6
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(c(C(O)CCC)nc3CCC)C(=O)N)=O	2782
+CC(C)(C)OC(=O)c1c(CN2CN(C3(CCNCC3)C2=O)c4ccccc4)cccc1	62
+c1n(nnc1C(=O)O)CC(CCc2cc3c(nn2)[nH]c(-c4c(cccc4)F)c3)F	153
+CC(C)(C)OC(c1cnc(c(c1)Cl)NNC(=O)c2ccccc2)=O	898
+CC(C)(C)OC(c1cc(Cl)c2n(c(nn2)-c3ccccc3)c1)=O	7598
+CC(C)(C)OC(=O)c1nc(-c2ccc3N(CCN(c3c2)C(Nc4nc5c(cccc5)s4)=O)C)ccc1	2143
+CC(C)(C)OC(c1c([N+]([O-])=O)cc(C#N)cn1)=O	1684
+CC(C)(C)OC(c1nccc(c1)Oc2ccc(NC(Nc3ccc(c(C(F)(F)F)c3)Cl)=O)c(c2)F)=O	124
+FC(F)(F)c1c(ccc(NC(Nc2c(F)cc(Oc3ccnc(C(O)=O)c3)cc2)=O)c1)Cl	153
+CC(C)(C)OC(c1cn(CC(F)CCc2nnc3c(cc(-c4c(cccc4)F)[nH]3)c2)nn1)=O	587
+o1c2c(c(c1C(=O)O)C)c(OC)c(cc2)Br	153
+c1(C=C2c3cc(C(=O)O)sc3NC2=O)ccc[nH]1	153
+CC(C)(C)OC(c1cc2c(NC(=O)c3c([N+]([O-])=O)cccc3)nn(C(=O)OCC)c2s1)=O	330
+CC(C)(C)OC(=O)n1c(-c2c(Cl)nc3ccccc3c2)cc4c1ccc(c4)C(=O)C	155
+O=S(=O)(NC1CCCCC1)c2c(Cl)ccc(-c3[nH]c4ccccc4c3)c2	535
+O=S(=O)(c1cc(-c2cc3c(cccc3)[nH]2)ccc1Cl)Cc4cc(Cl)ccc4	535
+CC(C)(C)OC(=O)n1c(ccc1-c2ccc(cc2)NS(=O)(=O)CC)C#N	7599
+CC(C)(C)OC(=O)n1c(cc(n1)Nc2c3c(nc(C(F)(F)c4ccc(F)cn4)n2)cc(cc3)OC)C	349
+c1(C(C)C(=O)OCC)cc2c(cccc2)[nH]1	535
+CC(C)(C)OC(=O)n1c(-c2cc(Oc3ccc(cc3)C(=O)C)cc(OC(COC)C)c2)ccc1-c4sccn4	472
+CC(C)(C)OC(=O)n1c(ccc1-c2cc(OC(COC)C)cc(c2)Oc3ccc(cc3)S(=O)(=O)C)C(=O)OCC	7600
+CC(C)(C)OC(n1c(nc2ccc(C(O)C(F)(F)F)cc12)-c3c(C)cccc3C)=O	714
+CC(C)(C)OC(n1c2c(c(CN(C)CCN(C)C(=O)OC(C)(C)C)n1)c(ccc2)OCCCC3OC(C)(C)OC3)=O	262
+CC(C)(C)OC(=O)n1nc(c2ccc(cc12)OCCOCc3ccccc3)N	8
+CC(C)(C)OC(=O)n1c2cccc(C=CCO)c2cc1	4216
+CC(C)(C)OC(n1c2ccc(CN3C(c4ccccc4C3=O)=O)c(Cl)c2cc1)=O	1930
+CC(C)(C)OC(n1c2c(cc1)c(NC(C3CCN(CC3)Cc4ccccc4)=O)ccn2)=O	131
+CC(C)(C)OC(n1c(-c2c(Cl)nc3ccccc3c2)cc4c1ccc(C(C)O)c4)=O	449
+CC(C)(C)OC(n1c(-c2cc(c(Cl)cc2)S(=O)(=O)NC3CCCCC3)cc4ccccc14)=O	7601
+CC(C)(C)OC(=O)n1nc(CCCN)c2c1c(ccc2Nc3c(-c4ncccn4)oc5cnccc35)Cl	18
+CC(C)(C)OC(n1c2c(ccc(Nc3c(-c4ncccn4)oc5cnccc35)c2c(CCCN=[N+]=[N-])n1)Cl)=O	133
+CC(C)(C)OC(=O)n1c(C)cc2ccc(S(=O)(=O)C)cc12	593
+CC(C)(C)OC(=O)n1cc(c2ccc(cc12)-c3cc([N+]([O-])=O)cc([N+]([O-])=O)c3)CC(OCC)=O	492
+CC(C)(C)OC(n1c2c(cn1)ccc(c2)NC(=O)c3ccccc3O)=O	67
+c1c(c2c(cc1F)C=3c4c(C(N(C)C=3)=O)[nH]cc4CN2C(=O)OCC)F	2817
+CC(C)(C)OC(=O)n1nc(-c2ccccc2)c3cc(C)c(cc13)N	0
+CC(C)(C)OC(n1ccc2c1ccc(c2Cl)CN)=O	45
+CC(C)(C)OC(=O)n1c2c(c(n1)-c3ccccc3)cc(NS(=O)(=O)c4cc(F)ccc4)cc2	69
+CC(C)(C)OC(=O)n1c2c(cc(O)cc2)cc1C(=O)OCC	16
+C(C)OC(c1cc2cc(ccc2[nH]1)OCCSC)=O	535
+CC(C)(C)OC(n1c2c(cc1)c(C=CC(=O)OCC)ccc2)=O	530
+CC(C)(C)OC(=O)n1c2cccc(c2c(Cl)n1)N	0
+Cc1cc(cc(C)c1S(=O)(=O)N(C)C(Cc2c3c(cccc3)[nH]c2)C)C	535
+C1C(C(=O)OCC)CCCN1c2ccc(Cl)c(-c3nc4c([nH]3)cccc4)c2	4148
+CC(C)(C)OC(=O)n1c2cnc(-n3ncnc3)cc2c(c1)C=CC(OCC)=O	4217
+C1CCN(C1)Cc2nc(c3sc(-c4c(C)n[nH]c4)cc3n2)O	921
+CC(C)(C)OC(n1c2c3C(c4cc(cc(F)c4N(C(OCC)=O)Cc3c1)F)=CN(C)C2=O)=O	1199
+c1(cc(Oc2cc3c(cc2)C(N(CO3)C)=O)cc(OC(COC)C)c1)C(Nc4[nH]ncc4)=O	921
+CC(C)(C)OC(n1c2c(cc1)c(ccn2)NC(C3CCNCC3)=O)=O	62
+CC(C)(C)OC(=O)n1c2c(cccc2cc1)CSC	4218
+CC(C)(C)OC(=O)n1c2c(F)cc(N=C=S)c(C)c2nc1	1695
+CC(C)(C)OC(=O)n1c2c(nc1)c(C)c(N)cc2	0
+CC(C)(C)OC(=O)n1c2c(ccc(c2)Nc3c4nccn4cc(n3)Br)nc1	1638
+C1CN(CCC1)CCCC(=O)Nc2[nH]nc(c2)-c3cnc(OC)cc3	921
+CC(C)(C)OC(=O)n1nc(-c2ccccc2)c3ccc(Nc4ccccc4OC)cc13	230
+CC(C)(C)OC(n1cc(C(NO)=N)c(C)n1)=O	7602
+CC(C)(C)OC(n1c2c(ccc(Nc3c(-c4ncccn4)oc5cnccc35)c2c(CCCOS(=O)(=O)C)n1)Cl)=O	7
+CC(C)(C)OC(=O)n1c2ccc(OC(F)F)cc2c(n1)I	7603
+Cc1c(c([nH]n1)C)-c2cc(Cl)c(cc2)C#N	921
+O=C1N(C=C(c2cn[nH]c2)c3cc(OC)c(OC)cc13)CC	921
+c1(cccc(-c2c[nH]nc2)n1)C(=O)OC	921
+CC(C)(C)OC1CN(S(=O)(=O)c2ccc3c(cccc3)c2)C(CO)C1	118
+c1ccccc1COCC2CC(CN2S(=O)(=O)c3cc4c(cc3)cccc4)O	1041
+CC(C)(C)OC1CC(N(S(=O)(=O)c2cc3c(cc2)cccc3)C1)COCc4ccccc4	21
+CC(C)(C)OC1CC(N(S(=O)(=O)c2cc3c(cc2)cccc3)C1)COCc4ccccc4	149
+CC(C)(C)OCC(COC)(COC)C1CCCCC1	76
+CC(C)(C)OCC1=C(C(C=2C(=O)OC(CC=2N1)c3c(cc(cc3C)C)C)c4cccc(c4)CC(=O)N)C(=O)OCC	83
+CC(C)(C)OCCCON1C(c2c(C1=O)cccc2)=O	1395
+CC(C)(C)OCCCON	670
+CC(C)(C)OCCOCCOCCOCCN	45
+CC(C)(C)OCCOCCOCCOCCOS(=O)(=O)c1ccc(cc1)C	36
+CC(C)(C)OCCOCCOCCOCCN1C(c2c(C1=O)cccc2)=O	2140
+CC(C)(C)OCCONC(=O)C=1C(=C(C(=O)N2CCCC=12)F)Nc3c(F)cc(I)cc3	7604
+c1c(I)cc(c(c1)NC=2C(C(NOCCO)=O)=C3CCCN3C(=O)C=2F)F	1041
+c1c2c(ccc1)nc(-c3cc(cnc3N)-c4cnn(CCO)c4)o2	1041
+CC(C)(C)OCc1c(c(on1)C(C)C)COC	1043
+CC(C)c1onc(CO)c1C(OC)=O	1041
+CC(C)c1onc(CO)c1COc2ccc3c(ccn3Cc4cccc(C(=O)OC)c4)c2	1041
+CC(C)(C)OCc1noc(c1CO)C(C)C	88
+CCOC(c1c(n[nH]c1)CO)=O	1041
+CC(C)(C)OCc1c(c(C(C)C)on1)COc2ccc3c(ccn3Cc4cccc(C(=O)OC)c4)c2	1411
+CC(C)(C)OCc1noc(c1CCl)C(C)C	1703
+CC1(C)N(CCCOCCOCCOC)C(C(C)(C)N1Cl)=O	7605
+FC(F)(F)c1ccc(cc1)CC(=O)C(OCC)OC(C)(C)C	7606
+c1c2ccc(C#N)cc2c(Cl)c(O)c1	7607
+CC(C)(C)ONC(=O)C1(C)C(CCOC1)NS(=O)(=O)c2ccc(cc2)OCc3ccccc3	7608
+CC(C)(C)ON=C1c2cc(ccc2OC(=C1)c3ncn4c(c3)ccc4)OCCCl	72
+CC(C)(C)ON=C1C=C(c2ncn3c(c2)ccc3)Oc4ccc(C(O)=O)cc14	1
+CC(C)(C)ON=C1C=C(c2ncn3c(c2)ccc3)Oc4ccc(C(OC)=O)cc14	833
+FC(F)(F)c1cc2[nH]ncc2c(C(OC)=O)c1	3210
+O(c1cccnc1OCC(OC)=O)C(C)=O	4219
+c1(c(Cl)ncc(OC(=O)C)c1)C	4219
+CC(C)(C)ONC(=O)C1(C)C(CCOC1)NS(=O)(=O)c2ccc(cc2)O	16
+c1cc(ccc1S(=O)(=O)NC2CCOCC2(C)C(=O)NO)OCc3c4c(nc(c3)C)cccc4	4220
+C1CCC(C1)(Sc2ccc(cc2)Oc3ccccc3)CC(=O)NO	4220
+CC(C)(C)[Si](C)(C)OCc1cccc(c1COP(OCC=C)(OCC=C)=O)C	7609
+c1cc(ccc1OC)COC(=O)c2c(COP(OCC=C)(OCC=C)=O)cc(F)cc2	7610
+Fc1c(F)cn(c1)-c2cc(c(cc2)[N+]([O-])=O)O	7611
+CC(C)(C)Oc1ccc(C(O)CNC2CCCC2OCc3ccccc3)c4sc(nc14)OC(C)C	284
+CC(C)(C)Oc1cccc(Cl)c1C=O	1937
+CC(C)(C)Oc1c(C=O)cccc1	39
+C1CC(CCN1CCc2nc(O)cnc2)COc3c(cccc3)F	7612
+CC(C)(C)Oc1ncc(cc1)C(=O)O	1
+CC(C)(C)Oc1ccc(CO)cn1	382
+CC(C)(C)Oc1ncc(C(=O)OC)cc1	272
+CC(C)(C)Sc1c(C=O)cccc1	411
+CC(C)(C)Sc1ccc(Cc2c(C)[nH]c3c2cc(C(=O)OC)cc3)c(c1)Cl	1524
+CC(C)(C)Sc1ccc(cc1)[N+]([O-])=O	411
+CC(C)(C)Sc1n2c(c(ncc2)N)c(Br)n1	7613
+CC(C)(C)S(N=CCC(C(OCC)=O)C)=O	7614
+CC(C)(C)S(=O)N=C(c1c(C#N)c(cc(Cl)c1)F)c2cc(OC)ccc2	4221
+CC(C)(C)S(N=C(c1cccc(c1C#N)F)c2ccc(F)c(Br)c2)=O	4221
+FC(F)(F)c1cc(ccn1)C2(NC(c3c(cc(Cl)cc23)F)=N)c4cc(ccc4)OC	7615
+C1CC2(CCC1OC)Cc3ccc(cc3C2=N)OCCCF	2857
+C1CC2(CCC1OC)Cc3cc(c(Br)cc3C2=N)F	2857
+C1COCCC1C(N)C	499
+FC(F)(F)c1ncc(cc1)C(N)C	499
+CCOC(=O)C(C)CC(c1c(cccc1OCC)F)N	499
+c1(cccc(OC)c1C(CC(C(OCC)=O)C)N)OC	499
+c1cc(ccc1C(C(c2cccc(Cl)c2)CC=C)(C)N)Cl	499
+FC(F)(CO)C1(C2(CC2)COc3ccc(cc13)Br)N	499
+CC(C)(C)S(=O)NC1(C2(CC2)COc3c1cc(Br)cc3)C(F)(F)CO	44
+FC(F)(F)c1cc(C2(c3cccnc3C(=N2)N)c4cc(OCCCF)ccc4)ccc1OC	7616
+c1cc(ccn1)C2(c3cccc(F)c3C(N2)=N)c4ccc(c(Br)c4)F	7617
+c1ncncc1C2(c3cc(c(cc3)F)Br)NC(=N)c4c(F)cccc24	7618
+C1CC12CCc3c(cc(cc3)Br)C2=N	2857
+CC(C)(C)S(=O)NC(c1c(OC)cccc1OC)CC(C(=O)OCC)C	4222
+CC(C)(C)S(NC(CCCC(OC)=O)c1c(OC)cccc1OC)=O	4222
+c1(cc(Br)c(F)cc1F)C(C)(CCO)N	499
+c1cc(ccc1)-c2c(C(N)CC(C)C(OCC)=O)cccc2	499
+O(CC)C(C(C)CC(c1c(cccc1F)OC)N)=O	499
+CC(C)(C)S(NC(c1cc(ncc1)C(N)=O)CC)=O	1200
+n1cc(cc(C(CCC)N)c1)Br	499
+COc1cccc(OC)c1C(CCCC(OC)=O)N	499
+FC(F)(F)C(O)CC(CF)(c1c(ccc(Br)n1)F)N	499
+CCC(c1ccnc(c1)C(=O)N)N	499
+CC(C)(C)S(NC(CC)c1ccnc(c1)C#N)=O	1704
+c1cc(ccc1-c2cc(C(N)C)no2)Cl	499
+CC(C)(C)Sc1c(CC(=O)OCC)[nH]c2ccc(cc12)OC	7619
+CC(C)(C)Sc1c(CC(C)(C)C(=O)OCC)n(Cc2ccc(cc2)Br)c3c1cc(OC)cc3	7620
+CC(C)(C)Sc1ccccc1C=C	443
+FC(F)(F)c1cnc(-c2ccc(cc2)CC(C(=O)OCC)c3c(c4cc(ccc4[nH]3)OC)SC(C)(C)C)cc1	7621
+CC(C)(C)Sc1c2c(n(Cc3ccc(cc3)Br)c1CC(C)(C)C(=O)OCC)ccc(c2)O	5
+CC(C)(C)Sc1ccc(Cc2c([nH]c3ccc(cc23)C(=O)O)C)c(c1)Cl	1
+CC(C)(C)Sc1ccc(c(c1)Cl)Cc2c3c(ccc(c3)C(NS(=O)(=O)CCCCC)=O)[nH]c2C	258
+CC1(C)OB(OC1(C)C)c2ccc(cc2)SC(C)(C)C	585
+CC(C)(C)Sc1ccc(cc1)NCCC(=O)OCC	7622
+CC(C)(C)Sc1ccc(cc1)N2CCC(O)=C(C2=O)C#N	4223
+CC(C)(C)Sc1ccc(cc1)N(CCC(OCC)=O)C(=O)CC#N	429
+CC(C)(C)Sc1ccc(cc1)N	0
+CC(C)(C)NC(=O)C(CCC=C)(C1CCC(CC1)C2(OCCO2)c3ccc(cc3)Cl)NC(C)=O	2433
+CC(C)(C)[SiH2]OC(C)(C)C1CCC(CC1)COS(=O)(=O)C	7
+CC(C)(C)[SiH2]OC(C)(C)C1CCC(CC1)CC#N	300
+CC(C)(C)[SiH2]OC(C)(C)C1N(c2cc(cnc2)-c3ccc4c(CCC(=O)N4C)c3)CCC1	156
+CC(C)(c1c(ccc(CNC(=O)CC)c1)Cl)O	1412
+CC(C)(C)[SiH2]OC(C)(C)c1cc(C2(OCCO2)C)ncc1	7623
+C1COC(O1)(C)c2cc(C(C)(C)O)ccn2	1412
+CC(C)(C)[SiH2]OC(C)(C)c1cc(ccc1Cl)CN	817
+CC(C)(C)[SiH2]OC(C)(C)c1cc(ccc1Cl)C=NO	135
+CC(C)(C)[SiH2]OC(C)(C)c1c(Cl)ccc(CNC(=O)CC)c1	68
+CC(C)(C)[SiH2]OC(C)(C)c1cc(nc(Nc2ncc(C#N)s2)c1)Cl	1178
+CC(C)(C)[SiH2]OCc1cc(Nc2ncc(C#N)s2)nc(Cl)c1	2696
+CC(C)(C)[SiH2]OC(C)(C)c1cccc(n1)C(O)C	1394
+CC(C)(C)[SiH2]OC(C)(C)c1cccc(C(C)=O)n1	955
+CC(C)(C)[SiH2]OC(C)(C)c1cc(C(=O)C)ncc1	7624
+CC(C)(C)[SiH2]OC(C)(C)c1cccc(n1)C(O)C	4224
+CC(C)(C)[SiH2]OC(C)(C)c1nc(C=O)ccc1	178
+n1c(Nc2cc(CO)cc(Cl)n2)sc(c1)C#N	1412
+CC(C)(C)[Si](C)(C)OCc1cccc(c1)-c2cnc(N)cc2	7625
+CC(C)(C)[Si](C)(C)C#Cc1c(cc(Br)cn1)F	961
+CC(C)(C)[Si](C)(C)C#Cc1ncc(cc1F)-c2ccc(cc2)Cl	2056
+c1cc(ccc1Cl)-c2cc(c(C#C)nc2)F	7626
+CC(C)(C)[Si](C)(C)CCCOCC(CN)O	906
+CC(C)(C)[Si](C)(C)OC1C2CCC(C(CCO[Si](C)(C)C(C)(C)C)=C)C2(CCC1)C	19
+CC(C)(C)[Si](C)(C)OCc1ccc(C(C)(C)C)c(c1)[N+]([O-])=O	19
+CC(C)(C)c1nn(c(N)c1)CCO[Si](C)(C)C(C)(C)C	19
+CC(C)(C)c1nc(c2c[nH]nc2n1)N3CC(O[Si](C)(C)C(C)(C)C)CC3	19
+CC(C)(C)[Si](C)(C)OCC(C)(C)CCC#N	19
+CC(C)(C)[Si](C)(C)OCC(C)(C)CO	19
+CC(C)(C)[Si](C)(C)OCC(N)CC(C)(C)F	19
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)C(C)(C)O	19
+CC(C)(C)[Si](C)(C)OCC(C(C)C)N1c2cc(c(Br)cc2C(=O)C(=C1)C(OCC)=O)OC	19
+CC(C)(C)[Si](C)(C)OCC(COC(C)C)O	19
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)Sc2cc3C=C(C)C(C)(C)Oc3cc2	154
+CC(C)(C)[Si](C)(C)OC1CCC2(C)C(C1(C)C)CCC=3C4=CCC(C(C)CCC(=O)OC)C4(C)CCC2=3	19
+CC(C)(C)[Si](C)(C)OCCC(O)C1=CC(N(C=C1)C2=CC(C)(C)Oc3c2cc(C#N)cc3)=O	19
+CC(C)(C)[Si](C)(C)OC(C)C1NC(C)(C)CC(=O)C1	19
+CC(C)(C)[Si](C)(C)OCCCc1c(Br)cc2C(C)(C)CCC(C)(C)c2c1	19
+CC(C)(C)[Si](C)(C)OC1CC(C)CC(c2ccncc2[N+]([O-])=O)=C1	947
+CC(C)(C)[Si](C)(C)OCCC(O)CCCCCCCCCCC	19
+CC(C)(C)[Si](C)(C)OCC(O)CN(C)C	19
+CC(C)(C)[Si](C)(C)Oc1c(NC(=S)Nc2cccc(c2Cl)F)ccc(Cl)c1S(=O)(=O)N(C)C	154
+CC(C)(C)[Si](C)(C)Oc1c(c(Cl)ccc1NC(Nc2cccc(F)c2F)=S)S(=O)(=O)N(C)C	154
+CC(C)(C)[Si](C)(C)Oc1c(c(Cl)ccc1NC(Nc2c(cccc2)Cl)=S)S(=O)(=O)N(C)C	154
+CC(C)(C)[Si](C)(C)Oc1cc(C)ccc1Cl	154
+CC(C)(C)[Si](C)(C)OCC(Nc1c([N+](=O)[O-])c(Cl)nc(c1C)C)C	19
+CC(C)(C)[Si](C)(C)OCCSc1ccc(c(C)n1)[N+]([O-])=O	19
+CC(C)(C)[Si](C)(C)Oc1cc(Br)c(Cl)cc1	154
+CC(C)(C)[Si](C)(C)OCc1cc(cc(Cl)c1)C(=O)OC	19
+CC(C)(C)[Si](C)(C)OCC(O)c1ccc(Cl)c(F)c1	19
+CC(C)(C)[Si](C)(C)OCc1n(c2ccc(cc2c1)Cl)CCCSC	19
+CC(C)(C)[Si](C)(C)OC(c1cccc(Cl)c1)C(=O)OC	4225
+CC(C)(C)[Si](C)(C)OC(c1cc(ccc1)Cl)C=C	947
+CC(C)(C)[Si](C)(C)OCCC(C(O)=O)Cn1cc(cn1)Cl	19
+CC(C)(C)[Si](C)(C)OCc1cc(Cl)ncc1	19
+CC(C)(C)[Si](C)(C)OCC1C(CC(N2C(NC(=O)C(C#CCNC(=O)C(F)(F)F)=C2)=O)O1)O	19
+FC(F)(F)c1cc(c(cc1)N2CCCC(C2)O[Si](C)(C)C(C)(C)C)[N+](=O)[O-]	19
+CC(C)(C)[Si](C)(C)OCC(=O)N1C(C(=O)N)CC(C1)F	1952
+CC(C)(C)[Si](C)(C)OC(COC(c1ccccc1CCC(=O)OC)C)CN2C(CCC2)Cc3cc(F)c(C)cc3	19
+CC(C)(C)[Si](C)(C)OCCc1ccccc1F	19
+CC(C)(C)[Si](C)(C)OCCc1ccccc1C#N	19
+CC(C)(C)[Si](C)(C)OC1C2=NC(C)=C(C(=O)N2CCC1)CCCl	19
+CC(C)(C)[Si](C)(C)OC1C(C(OCOC)CC=2C1CON=2)OC(OC)=O	19
+CC(C)(C)[Si](C)(C)Oc1cc(c(N)cc1)[N+]([O-])=O	154
+CC(C)(C)[Si](C)(C)OCc1ncc(Br)c(c1C)OC	19
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1OC)C(C)=O)OC	154
+CC(C)(C)[Si](C)(C)OC(CC(C)=O)CC(OC)=O	19
+CC(C)(C)[Si](C)(C)OC1CCN(C(Nc2c(C)c(Cl)c(C#N)cc2)=O)C1C(=O)OC	19
+CC(C)(C)[Si](C)(C)OCCNC=C(C(=O)OCC)C(c1c(c(cc(c1)I)F)F)=O	19
+CC(C)(C)[Si](C)(C)OCCCON1C(c2c(C1=O)cccc2)=O	19
+CC(C)(C)[Si](C)(C)Oc1c(C=O)cccc1	154
+CC(C)(C)[Si](C)(C)Oc1c2nc(C=O)ccc2ccc1	2858
+CC(C)(C)[Si](C)(C)OC(CI)c1ccc(c(NS(=O)(=O)C)c1)OCc2ccccc2	19
+CC(C)(C)[Si](C)(C)OCCCNc1ccc(NS(=O)(=O)c2ccc(cc2)NC(C)=O)cc1[N+]([O-])=O	19
+CC(C)(C)[Si](C)(C)OC(C)CN	19
+CC(C)(C)[Si](C)(C)OC(CCl)CC(OC)=O	19
+CC(C)(C)[Si](C)(C)OCCCC(O)c1cscc1	19
+CC(C)(C)[Si](C)(C)OC1CC2C(C)(C3CCC4(C(c5ccoc5)CCC4(C3CC2)O)C)CC1	19
+CC(C)(C)[Si](C)(C)OCC1(CC1)CO	19
+CC(C)(C)[Si](C)(C)OCCO	19
+CC(C)(C)[Si](C)(C)OCCOCCO	19
+CC(C)(C)[Si](C)(C)OCc1ccc(c(n1)NC)C	19
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)N	19
+CC(C)(C)[Si](C)(C)OCCOc1cc(c(cc1)[N+](=O)[O-])C	19
+CC(C)(C)[Si](C)(C)OCCc1cc(C)cs1	19
+CC(C)(C)[Si](C)(C)OCc1cc(cs1)C	19
+CC(C)(C)[Si](C)(C)OCC1CCCN(c2ccccc2C=O)C1	19
+CC(C)(C)[Si](C)(C)OCCSCc1ccnc(Nc2ncc(F)c(c2)-c3c(OC)cc(cc3)F)c1	19
+CC(C)(C)[Si](C)(C)OCc1nc(Cl)cc(OC)c1	19
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)-c2ccccc2[N+]([O-])=O	154
+CC(C)(C)[Si](C)(C)OCc1cc(-c2cc([N+](=O)[O-])ccc2F)ccc1	19
+CC(C)(C)[Si](C)(C)Oc1c(cc(F)c(c1)F)OC	154
+CC(C)(C)[Si](C)(C)OCCc1ccsc1Br	19
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(-c2cccc(C=O)c2)c(c1Cl)C	154
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1OC)C=O	154
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(C)c1)Br	154
+CC(C)(C)[Si](C)(C)OCC1=Cn2ccc(c2C(N1)=O)C	947
+CC(C)(C)[Si](C)(C)OC1CN2C(c3ccccc3NC(C2C1)=O)=O	19
+CC(C)(C)[Si](C)(C)Oc1ccc2cc([nH]c2c1)C(=O)O	154
+CC(C)(C)[Si](C)(C)OC(C)C(Nc1ccc(c(Cl)c1C)C#N)C(NNC(c2ccc3c(c2)cc[nH]3)=O)=O	19
+CC(C)(C)[Si](C)(C)Oc1cccc2ccc(nc12)C	2858
+CC(C)(C)[Si](C)(C)Oc1ccc2cn[nH]c2c1	154
+CC(C)(C)[Si](C)(C)Oc1ccc(Br)c2ccccc12	154
+CC(C)(C)[Si](C)(C)OC(CNCc1occc1)Cn2c3ccccc3c4c2cccc4	19
+CC(C)(C)[Si](C)(C)OCCc1c[nH]c2c1c(nc(n2)SC)Cl	19
+CC(C)(C)[Si](C)(C)Oc1c(NC(=S)Nc2c(Br)cccc2)ccc(c1)C#N	154
+CC(C)(C)[Si](C)(C)OCc1nc(Br)ccc1	19
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)C#N	154
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(c1)C)C=O	154
+CC(C)(C)[Si](C)(C)OCc1cc(C)c(Br)cc1	19
+CC(C)(C)[Si](C)(C)OCc1c2c(ccc1)C(=O)CCN2CC	19
+CC(C)(C)[Si](C)(C)OCc1cc(cc(Br)c1)CO	19
+CC(C)(C)[Si](C)(C)OCc1cc2c(n[nH]c2C(OC)=O)cc1	19
+CC(C)(C)[Si](C)(C)Oc1c(cc(Oc2c(cc(cc2Cl)[N+](=O)[O-])Cl)cc1)C(C)C	154
+CC(C)(C)[Si](C)(C)OCc1cccc(c1)N	19
+CC(C)(C)[Si](C)(C)Oc1cccc(N)c1	154
+CC(C)(C)[Si](C)(C)Oc1cccc(O)c1	154
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1OC)C2c3cc4OCOc4cc3C(C5C(=O)OCC25)N)OC	154
+CC(C)(C)[Si](C)(C)Oc1ccc(c(Br)c1)[N+]([O-])=O	154
+CC(C)(C)[Si](C)(C)Oc1cc(cc(F)c1)Br	154
+CC(C)(C)[Si](C)(C)OCc1cc2c(n1C)ccc(Br)c2	19
+CC(C)(C)[Si](C)(C)Oc1ccc(C(C)=O)cc1CC	154
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1F)F	154
+CC(C)(C)[Si](C)(C)OCC1C(O)Cc2ccccc12	19
+CC(C)(C)[Si](C)(C)OCCCc1c[nH]c2ccccc12	19
+CC(C)(C)[Si](C)(C)Oc1cc2c([nH]nc2)cc1	154
+CC(C)(C)[Si](C)(C)Oc1ccc2c(cc[nH]2)c1	154
+CC(C)(C)[Si](C)(C)Oc1c(Br)ccc2ccc(C)nc12	2858
+CC(C)(C)[Si](C)(C)OCc1ccc(c(c1)[N+]([O-])=O)C(=O)OC	19
+CC(C)(C)[Si](C)(C)OCc1c2cccc(C)c2c(OCOC)cc1	19
+CC(C)(C)[Si](C)(C)OCc1cccc(C)c1CO	19
+CC(C)(C)[Si](C)(C)OCCSc1ccc2NCCc2c1	19
+CC(C)(C)[Si](C)(C)OC(c1ncco1)C2CCc3cc(ccc3C2)-c4ccccc4	19
+CC(C)(C)[Si](C)(C)OCCCCCCCCOc1cc([N+]([O-])=O)c(cc1)-c2ccccc2	19
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)C(OCC)=O	4225
+CC(C)(C)[Si](C)(C)OCC(CO)c1ccccc1	19
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCC(O[Si](C)(C)C(C)(C)C)CC(C(=O)O)CCCCCCC	19
+CC(C)(C)[Si](C)(C)OCCN(Cc1ccccc1)CCC2OCCO2	19
+CC(C)(C)[Si](C)(C)OCCCC1NCCN(C1)Cc2ccccc2	19
+CC(C)(C)[Si](C)(C)OCCC(O)C1N(CCC1)C(C2CCCN2C(NCc3ccccc3)=O)=O	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)CCC(=O)OCc2ccccc2	154
+CC(C)(C)[Si](C)(C)OC1C(CN(C(=O)OCc2ccccc2)C1)N	19
+CC(C)(C)[Si](C)(C)OCC(Nc1nc(ccc1[N+]([O-])=O)OC)COCc2ccccc2	19
+CC(C)(C)[Si](C)(C)OCC(O)COCc1ccccc1	19
+CC(C)(C)[Si](C)(C)OCCC(Oc1ccccc1)C(O)=O	19
+CC(C)(C)[Si](C)(C)OCCCc1ccc(cc1)Br	19
+CC(C)(C)[Si](C)(C)OC(C(Nc1ccc(c(Cl)c1)C#N)C(NNC(c2ccc(cc2)C#N)=O)=O)C	19
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C(=O)O	19
+CC(C)(C)[Si](C)(C)OCC(c1ccc(cc1)Br)C	19
+CC(C)(C)[Si](C)(C)OCC(c1ccc(cc1)Cl)O	19
+CC(C)(C)[Si](C)(C)OCCOCc1ccc(cc1)C(OC)=O	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2c3c(C(C2C(OCC)=O)=O)cccc3	154
+CC(C)(C)[Si](C)(C)OCC(Cc1ccc(cc1)Br)C	19
+CC(C)(C)[Si](C)(C)OC(c1cccc(N2C(=O)C(Cc3ccc(cc3)-c4ccccc4C#N)=C(N=C2C)CCCC)c1)C	19
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)Br	19
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)F	19
+CC(C)(C)[Si](C)(C)OCC(c1c(F)ccc(c1)Br)(NCc2ccc(cc2)OC)C	19
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C=O	19
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)O	19
+CC(C)(C)[Si](C)(C)OC1CC(C(OC)=O)N(C(OCc2ccc(cc2)OC)=O)C1	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)Cc2c(sc(c2)Br)Cl	154
+CC(C)(C)[Si](C)(C)OC(Cc1ccc(cc1)F)CCC2NC(CC2)=O	19
+CC(C)(C)[Si](C)(C)OC(C)C(Nc1ccc(c(Cl)c1C)C#N)C(NNC(=O)c2ccc(cc2)I)=O	19
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)I	19
+CC(C)(C)[Si](C)(C)OCCCc1c(nc2ccnn2c1Nc3ccc(cc3)OCC)Cl	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2C(C(OCC)=O)N(C(=O)C2)C	154
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)O	154
+CC(C)(C)[Si](C)(C)OC(CC=C)CCC1C(c2c(ccc(c2OC1)F)F)S(=O)(=O)c3ccc(cc3)Cl	19
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)[N+](=O)[O-]	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)[N+]([O-])=O	154
+CC(C)(C)[Si](C)(C)Oc1c(c(cc(N2C(c3c(C2=O)cccc3)=O)c1)C(=O)OCc4ccc(cc4)[N+]([O-])=O)C	154
+CC(C)(C)[Si](C)(C)OCCc1ccncc1	19
+CC(C)(C)[Si](C)(C)OCc1ccncc1	19
+CC(C)(C)[Si](C)(C)OCC1(c2c(-c3c1cccc3)cccc2)COC	19
+CC(C)(C)[Si](C)(C)OCCCSc1c(C#N)cnc2c1cc(cc2)I	19
+CC(C)(C)[Si](C)(C)OCc1[nH]c2ncccc2c1	19
+CC(C)(C)[Si](C)(C)Oc1c2cc[nH]c2ccc1	154
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)N2C(=O)c3ccccc3C2=O	19
+CC(C)(C)[Si](C)(C)OCCSc1c2c(ccc(c2)F)nc(CC)c1-c3ccccc3	19
+CC(C)(C)[Si](C)(C)OCC(C)(C)c1cc(N)n(-c2ccccc2)n1	19
+CC(C)(C)[Si](C)(C)OCCC(c1ccccc1)(CCCl)O	19
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CCO[Si](C)(C)C(C)(C)C)O	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C(Cc2ccccc2)=O	154
+CC(C)(C)[Si](C)(C)OCCOc1ccc(cc1)C(CCc2ccccc2)=O	19
+CC(C)(C)[Si](C)(C)OCCc1cc([N+](=O)[O-])cc(F)c1N(Cc2ccccc2)C	19
+CC(C)(C)[Si](C)(C)OCCC1N(Cc2ccccc2)C(C(OC1)C)=O	19
+CC(C)(C)[Si](C)(C)OCC1(N)CC(N(CC1)C(=O)OCc2ccccc2)C	19
+CC(C)(C)[Si](C)(C)OCC(C)NC(=O)OCc1ccccc1	19
+CC(C)(C)[Si](C)(C)OC1CN(C(OCc2ccccc2)=O)C(C(O)=O)C1	19
+CC(C)(C)[Si](C)(C)OCCCNC(OCc1ccccc1)=O	19
+CC(C)(C)[Si](C)(C)OCC(O)c1cc(NC(=O)OCc2ccccc2)ccc1	19
+CC(C)(C)[Si](C)(C)OCC=1CC(CCOCc2ccccc2)CCC=1	947
+CC(C)(C)[Si](C)(C)OCC(C)CCCOCc1ccccc1	19
+CC(C)(C)[Si](C)(C)OC(c1ccc(c(c1)C(OC)=O)OCc2ccccc2)CBr	19
+CC(C)(C)[Si](C)(C)OCC(O)Cc1ccc2CCCc2c1OCc3ccccc3	19
+CC(C)(C)[Si](C)(C)OCCNc1c2c(ncc1[N+](=O)[O-])cc(OCc3ccccc3)cc2	19
+CC(C)(C)[Si](C)(C)Oc1c(cc(OCc2ccccc2)cc1)Br	154
+c1ccccc1COc2cncc(OCc3ccccc3)c2CO[Si](C)(C)C(C)(C)C	19
+CC(C)(C)[Si](C)(C)OCC(Cc1oc(cc1)C(Nc2ccccc2)=O)C(O)C	19
+CC(C)(C)[Si](C)(C)OCCNc1ccccc1	19
+CC(C)(C)[Si](C)(C)OC(C([N+]([O-])=O)C)c1cn2c(cc1)ncn2	19
+CC(C)(C)[Si](C)(C)OCc1ccc(C)c(Nc2ccnc(Cl)n2)c1	19
+CC(C)(C)[Si](C)(C)OCc1ccc(N)nc1	19
+CC(C)(C)[Si](C)(C)OCc1cnc(nc1)Nc2ccccc2	19
+CC(C)(C)[Si](C)(C)OCCn1ncc2C(=O)CCCc12	19
+CC(C)(C)[Si](C)(C)OCCc1c(Cl)nc2ccnn2c1Cl	19
+CC(C)(C)[Si](C)(C)N1CCN(CC1)CCC#N	987
+c1cc(ccc1Cc2c(C)nc3c(c2C)c(ccc3Cl)CC(=O)OC)Cl	7627
+CC(C)(C)[Si](C)(C)OC(C(NC(=O)OC(C)(C)C)C(C)C)CC(O)=O	4
+CC(C)(C)[Si](C)(C)OC(C(CO)C)C1COC(C)(C)O1	2859
+CC(C)(C)[Si](C)(C)OC(C1COC(C)(C)O1)C(CN=[N+]=[N-])C	3422
+FC(F)(F)C(O)CC(C)(C)c1ccccn1	35
+CC(C)(C)[Si](C)(C)OC(C(NC(Nc1cccc(C)c1)=O)C)c2ccc3ncnn3c2	282
+N(C(Nc1cccc(C)c1)=O)C(C)C(c2ccc3n(ncn3)c2)O	35
+CC(C)(C)[Si](C)(C)OC(C)C(c1nnc(o1)-c2ccc(cc2)C#N)Nc3cc(Cl)c(C#N)cc3	877
+CC(C)(C)[Si](C)(C)OC(C(N)C)c1cn2c(ncn2)cc1	157
+CC(C)(C)[Si](C)(C)OC(C)(C)C1COCc2n1c3c(cnc4ccccc34)n2	2860
+CC(C)(C1COCc2nc3c(c4ccccc4nc3)n12)O	35
+CC(C)(C)[Si](C)(C)OC(C)(C)CC(=O)NC(C#N)c1cc(ccc1OC)Cl	9
+CC(C)(C)[Si](C)(C)OC(C)(C)Cn1c2c(cn1)cc(cc2)Oc3ccc(cc3CN)F	107
+CC(C)(C)[Si](C)(C)OC(C)C(Nc1ccc(c(Cl)c1C)C#N)c2nnc(o2)-c3cc4c([nH]cc4)cc3	1705
+c1cc(ccc1-c2oc(C(Nc3ccc(C#N)c(Cl)c3)C(C)O)nn2)C#N	35
+c1cc(ccc1)CN2C(C(OCC2C(O)C)C)=O	35
+CC(C)(C)[Si](C)(C)OC(C1CC(O)CC(C)(C)N1)C	100
+CC(C)(C)[Si](C)(C)OC(C)CNc1ccc(c(C#N)c1)OC	250
+CC(C)(C)[Si](C)(C)OC(CONC(=O)C1=C(Nc2c(F)cc(Br)cc2)N(C(C=C1)=O)C)C	7628
+CC(C)(C)[Si](C)(C)OC(C1CC(Oc2ccc(-c3c(OC)cc(-n4nccc4)cc3)nn2)CC(C)(C)N1)C	485
+CC(C)(C)[Si](C)(C)OC(C(CN=[N+]=[N-])C)C(CO)O	265
+c1ccccc1Oc2cc3CCC(Cc3cc2)C(O)c4ncc(-c5cccc(C(=O)OC)n5)o4	35
+CC(C)(C)[Si](C)(C)OC(CNC(C)COc1ccc(cc1)CC(=O)OC)c2ccccc2	110
+CC(C)(C)[Si](C)(C)OC(Cc1cc(-c2ccccc2)ccc1)CCC3CCC(N3CCCc4ccc(cc4)C(=O)OC)=O	638
+CC(C)(C)[Si](C)(C)OC(CCC1CCC(N1CCCc2ccc(cc2)C(OC)=O)=O)Cc3cc(F)ccc3	638
+CC(C)(C)[Si](C)(C)OC(CCCC(C=CC1C(OC2CCCCO2)CC(Cl)C1CCCc3ccc(C(OC)=O)s3)O)C	1565
+C1(CC(C(C=CC(O)CCCC(O)C)C1CCCc2sc(C(=O)OC)cc2)OC3OCCCC3)Cl	35
+OB(O)c1ccc(cc1)OC(C(O)CCc2cnccc2)C	35
+CC(C)(C)[Si](C)(C)OC(CCc1cnccc1)C(Oc2ccc(cc2)B(O)O)C	579
+CC(C)(C)[Si](C)(C)OC(CCc1cnccc1)C(Oc2ccc(cc2)B(O)O)C	281
+CC(C)OB(OC(C)C)c1ccc(cc1)OC(C(CCc2cnccc2)O[Si](C)(C)C(C)(C)C)C	585
+CC(C)(C)[Si](C)(C)OC(CC=O)CCl	59
+FC(F)(F)C(Nc1ccc(cc1)C#CCCCNCC(c2c3c(nc(O)cc3)c(O)cc2)O[Si](C)(C)C(C)(C)C)=O	132
+CC(C)(C)[Si](C)(C)OC(c1c2c(nc(O)cc2)c(O)cc1)CNCC3(CCN(CC3)CCCOCCc4ccccc4)O	122
+c1cc(ccc1CC(=O)OC)OCC(C)NCC(c2ccccc2)O	35
+CC(C)(C)[Si](C)(C)OC(COC(c1c(cccc1)CC(C)(C)C(=O)OC)C)CN2C(CCC2)Cc3cc(F)c(C)cc3	1389
+CC(C)(Cc1c(C(C)OCC(CN2C(CCC2)Cc3cc(F)c(C)cc3)O)cccc1)C(=O)OC	35
+CC(C)(C)[Si](C)(C)OC(COC(C)c1c(cccc1)CC(C)C(=O)OC)CN2C(CCC2)Cc3cc(F)c(C)cc3	2544
+c1c(cc(c(NC2=C(C=CC(=O)N2C)C(NOCC(O)C)=O)c1)F)Br	35
+CC(C)(C)[Si](C)(C)OC(CCC1CCC(N1CCCc2ccc(cc2)C(=O)OC)=O)Cc3ccc(cc3)F	638
+CC(C)(C)[Si](C)(C)OCCc1ccc(CCO)s1	21
+c1ccccc1CCOCCCN2CCC(CC2)(O)CNCC(O)c3ccc(O)c4nc(O)ccc34	35
+c1(cc(ccc1)C(O)CC(CC=C)O)Br	35
+COC(OC)c1nc2c(CCCN2C(Nc3ncc(C#N)c(NCCOC)c3)=O)cc1C(O)C	35
+CC(C)(C)[Si](C)(C)OC(c1cc2c(nc1C(OC)OC)N(C(Nc3ncc(C#N)c(NCCOC)c3)=O)CCC2)C	2861
+CC(C)(C)[Si](C)(C)OC(CBr)c1cc(CO)c(OCc2ccccc2)cc1	98
+CC(C)(C)[Si](C)(C)OC(c1ccc(cc1)C(NO)=N)CN2CC(C(OCC)=O)CCC2	253
+CC(C)(c1ccccc1CCC(c2cccc(C=Cc3nc4c(ccc(Cl)c4)cc3)c2)O)OC5OCCCC5	35
+CC(C)(C)[Si](C)(C)OC(C=O)c1ccccc1	578
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(F)CC(O)CC2	118
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(CC(CC2)OS(=O)(=O)C)F	7
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCO	347
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCNc2c([N+]([O-])=O)cnc3ccccc23	105
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCN	18
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCNc2c(cnc3ccccc23)N	13
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCN=[N+]=[N-]	133
+CC(C)(C)[Si](C)(C)OC1(CCN(CC1)C(=O)OC(C)(C)C)c2nc(cn2CCO)-c3ccc(c(C)c3)F	168
+CC(C)(C)[Si](C)(C)OC1CCN(Cc2ccc(cc2)C)C1=O	806
+CC(C)(C)[Si](C)(C)OC1CCN(C1=O)Cc2ccc(cc2)Cl	806
+CC(C)(C)[Si](C)(C)OC1COC(c2cnccc2)C1CCC(=O)O	4
+CC(C)(C)[Si](C)(C)OC1COC(c2cccnc2)C1C=CC(OC)=O	1667
+CC(C)(C)[Si](C)(C)OC1CC(N)CC1COCc2ccccc2	18
+CC(C)(C)[Si](C)(C)OC1CC(Oc2cc(ncn2)NC3C(OC)Cc4c3cccc4)CC1CO	35
+CC(C)(C)[Si](C)(C)OC1C(CN(C(OCc2ccccc2)=O)C1)Nc3cc(c(-c4ccc(nc4OC)C(C)C)nc3)C	3526
+CC(C)(C)[Si](C)(C)OC1CN(CC1C=C)C(OC(C)(C)C)=O	2800
+CC(C)(C)[Si](C)(C)OC1C(CC(Oc2cc(NC3c4ccccc4CC3OC)ncn2)C1)CO[Si](C)(C)C(C)(C)C	40
+CC(C)(C)OC(NC1(C(CCC1)O)CNc2ccc(c(c2C)Cl)C#N)=O	35
+CC(C)(C)[Si](C)(C)OC1C(NC(=O)OC(C)(C)C)(CCC1)CNc2c(c(c(cc2)C#N)Cl)C	291
+C1CC(CCC1)NC(=O)NC2COC3C(COC23)O	35
+CC(C)(O)CCCC(C)C1C2(C)C(CCC1)C(O)CCC2	35
+CC(C)(C)[Si](C)(C)OCCC1(C2C3(C)C(CC2)C(CCC3)O[Si](C)(C)C(C)(C)C)CC1C(OCC)=O	7629
+CC(C)(C)[Si](C)(C)OC1C=C(CC=C)C(C1)(O)C	7630
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)OCc2ccc(cc2)OC)C(C(O)=O)C1	4
+CC(C)(C)[Si](C)(C)OC1CC(C)CC(c2ccncc2N)=C1	13
+CC(C)(C)[Si](C)(C)OC1CC(C1)=O	86
+CC(C)(C)[Si](C)(C)OC1CCC(N2c3nc(ncc3CN(c4ccc(cc4)CC)C2=O)Cl)C1	7631
+CC(C)(C)[Si](C)(C)OC1CCCC(N2C(=O)C=CC(c3c4ccccn4nc3-c5ccccc5)=N2)C1	4226
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)OCC=C)C(CCCOS(=O)(=O)C)C1	7
+c1cc(ccc1)COC(N2CC(CC2C(=O)OC(c3ccccc3)C(=O)c4ccccc4)O)=O	35
+CC(C)(C)[Si](C)(C)OC1CC(Nc2nc(nc(n2)Cl)NC3C(OC)Cc4ccccc34)CC1COCc5ccccc5	387
+c1cc(ccc1CC)N2C(N(C3CC(O)CC3)c4nc(Nc5ccc(cc5)F)ncc4C2)=O	35
+c1cc(ccc1)C(=O)N2C(C(=CN(C3CC(O)CCC3)C2=O)C)=O	35
+CC(C)(C)[Si](C)(C)OC1CCC2(C3C(C4(C(C)(C(CC4)c5cocc5)CC3)OC)CCC2C1)C	76
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)Nc2ccccc2I	231
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)COS(=O)(=O)c2ccc(cc2)C	36
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)n2c3c(cccc3)cc2C4CC4	4227
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)Nc2nc3N(Cc4ccccc4)C(=O)N(Cc3cn2)c5ccccc5Cl	7632
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)c2c(ccc(C(=O)O)n2)F	1
+C1CC(CCC1n2c(cc3c2cccc3)C4CC4)O	35
+CC(C)(C)[Si](C)(C)OC1CC(CC1)Nc2c(CNc3ccc(cc3)CC)cnc(n2)Cl	40
+CC(C)(C)[Si](C)(C)OC1CC(N2C(=O)N(c3ccc(cc3)CC)Cc4c2nc(Nc5ccc(cc5)F)nc4)CC1	55
+CC(C)(C)[Si](C)(C)OC1CCC(N)C1	18
+CC(C)(C)[Si](C)(C)OC1CCC2(C)C(C1(C)C)CCC=3C4=CCC(C(CCC(=O)O)C)C4(CCC2=3)C	4
+CC(C)(C)[Si](C)(C)OC1CCC2(C)C(C1(C)C)CCC=3C=4C(CCC2=3)(C)C(C(C)CCCNc5ccccc5)CC=4	4228
+c1cc(ccc1)NCCCC(C)C2C3(C(C4=C(CC3)C5(CCC(C(C)(C)C5CC4)O)C)=CC2)C	35
+C1C2C(CCC(O)C2)(C3C(C1)C4(C(C)(C(c5ccoc5)CC4)CC3)OC)C	35
+c1ccccc1-c2nn3c(c2C4=NN(C(=O)C=C4)C5CC(O)CCC5)cccc3	35
+CC(C)(C)[Si](C)(C)OC1CC(N2C=C(C(N(C2=O)C(=O)c3ccccc3)=O)C)CCC1	4229
+CC(C)(C)[Si](C)(C)OC1CCCC2(C1CCCC2=CC)C	3691
+CC(C)(C)OC(N1CCNC2C(O)CCCC12)=O	35
+CC(C)(C)[Si](C)(C)OC1CN(CCC1)c2c(cc(cc2)C(F)(F)F)NC(c3cc(ccc3F)I)=O	50
+CC(C)(C)[Si](C)(C)OC1CCN(C(Nc2c(C)c(Cl)c(C#N)cc2)=O)C1COC	21
+CC(C)(C)[Si](C)(C)OC1CCN(C1CO)C(=O)Nc2c(C)c(Cl)c(C#N)cc2	88
+CC(C)(C)[Si](C)(C)OC1CCN(C1)c2ncc(N3C=CC(OS(=O)(=O)c4ccc(cc4)Br)=CC3=O)cc2	7633
+CC(C)(C)[Si](C)(C)OC1CCN(C1)c2ncc(N3C=CC(O)=CC3=O)cc2	923
+c1cc(ccc1CN2CCC(O)C2=O)Cl	4230
+Cc1cc(cc(C)c1NC(c2cc(N3CCC(CC3)O)nc4ccccc24)=O)C(OC)=O	35
+CC(C)(C)[Si](C)(C)OC1CCN(CC1)c2cc(c3c(cccc3)n2)C(=O)Nc4c(C)cc(cc4C)C(OC)=O	286
+CC(C)(C)[Si](C)(C)OC1CCc2c(-c3cnc(-c4ccc(c(C#N)c4)OC(C)C)s3)cccc12	57
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(-c3c4CCC(O)c4ccc3)s2	35
+C1CCN(C1)CC#CCN2CC(O)CC2=O	35
+CC(C)(C)[Si](C)(C)OC1CN(C(OCC=C)=O)C(CCCn2cncc2)C1	1193
+CC(C)(C)[Si](C)(C)OC1CC(N(C(=O)OCc2ccc(cc2)OC)C1)CO	21
+CC(C)(C)OC(=O)N1CC(CNc2c3nccnc3cc(Cl)n2)CC(C1)O	35
+C1C(CC(CCCn2ccnc2)N1C(OCC=C)=O)O	35
+CC(C)(C)[Si](C)(C)OC1CC(N(C(OCc2ccccc2)=O)C1)C(=O)OC(c3ccccc3)C(c4ccccc4)=O	4231
+CC(C)(C)[Si](C)(C)OC1CNC1	62
+c1cc(ccc1C(NC(C)=O)C)N2CC(C2)O	35
+CC(C)(C)[Si](C)(C)OC1CN(CC1)c2c(cc(N)cc2)F	0
+CC(C)(C)OC(=O)N1CC(C(O[Si](C)(C)C(C)(C)C)C1)CC	732
+CC(C)(C)[Si](C)(C)OC1CNCCC1N2CCOCC2	62
+c1ccccc1SCC(Nc2c3ccc(nc3ccc2Cl)N4CC(O)CC4)=O	35
+CC(C)(C)[Si](C)(C)OC1CN(c2ccc3c(c(ccc3n2)Cl)NC(CSc4ccccc4)=O)CC1	4232
+c1(cc(cc(Cl)c1)N2C(=O)C3(Cc4ccc(cc4)C#N)N(CC(O)C3)C2=O)Cl	35
+CC(C)(C)[Si](C)(C)OC1CC2CNc3ccccc3C(=O)N2C1	15
+c12cc(cc(OCC3CC(CN3)O)c1c(ncn2)Nc4cc(Cl)c(F)cc4)OC	35
+CC(C)(C)[Si](C)(C)OC1CN(C1)c2ccc(cc2)C(NC(C)=O)C	79
+CC(C)(C)[Si](C)(C)OC1C(C(c2cnccc2)OC1)CCC(=O)OC	783
+CC(C)(C)[Si](C)(C)OC1C2OCC(N)C2OC1	273
+CC(C)(C)[Si](C)(C)OC1c2c(cnc3c2ccc(O)c3)CCC1	16
+CC(C)(C)[Si](C)(C)OCC#Cc1ncc(N)nc1	3665
+CC(C)(C)[Si](C)(C)OCC(N1CC(F)CC1C#N)=O	143
+CC(C)(C)[Si](C)(C)OCC(C(C)C)N1c2cc(c(NCc3ccc(cc3)F)cc2C(C(C(OCC)=O)=C1)=O)OC	250
+c1(ccc(c(c1)Cl)Cl)C(C)C(Nc2cccc3C(=O)N(C=Cc23)C(C(=O)NC)CO)=O	35
+CC(C)(C)[Si](C)(C)OCC(C)(C)CCC=O	4095
+CC(C)(C)[Si](C)(C)OCC(C)(C)CN1C=C(CO)c2cc(ccc2C1=O)-c3cc(C(NC4CC4)=O)cc(F)c3C	7634
+CC(C)(C)[Si](C)(C)OCC(C)(C)COS(=O)(=O)C	7
+CC(C)(C)[Si](C)(C)OCC(C)(C)CC#N	300
+c1cc(ccc1CC(Nc2nccc(c2)C(c3cn(c4c3cncn4)C(C)(C)CO)=O)=O)C#N	35
+c1cc(ccc1)C(c2ccccc2)=Nc3nccc(C(=O)c4c5cncnc5n(C(C)(C)CO[Si](C)(C)C(C)(C)C)c4)c3	4233
+CC(C)(C)[Si](C)(C)OCC(C)(C)n1c2c(c(C(c3ccnc(NC(Cc4ccc(cc4)C#N)=O)c3)=O)c1)cncn2	142
+CC(C)(C)[Si](C)(C)OCC(Cn1ncc2cc(ccc12)C)C	1090
+CC(C)(C)[Si](C)(C)OCC(CCCO)C	118
+CC(C)(C)[Si](C)(C)OCC(NCC(O)COc1ccc(cc1)OC)C	122
+CC(C)(C)[Si](C)(C)OCC(C)N	102
+CC(C)(C)[Si](C)(C)OCC(OCC(O)C(OC)=O)C	7635
+CC(C)(C)[Si](C)(C)OCC(OCC(C(=O)Nc1ccc(cn1)Cl)Oc2ncnc3n(-c4ncccc4Cl)ncc23)C	7636
+Cc1nc(Cl)c2c(n(C(C)CO)c(CCl)n2)c1C	35
+CC(C)(C)OC(=O)N(C(CO)C=C)CC(N(C)OC)=O	35
+CC(C)(C)[Si](C)(C)OCC(CCCC(C)C1CCC2C1(C)CCC3C4(C(=CC(CC4)=O)CCC23)C)C	7637
+CC(C)(C)[Si](C)(C)OCC(CCCOS(=O)(=O)C)C	7
+CC(C)(C)[Si](C)(C)OCC(C)CCCI	572
+CC(C)(C)[Si](C)(C)OCC(CCO)NCCc1ccc(cc1)C(OC(C)C)=O	110
+c1cc(ccc1OC)COCCC(=C)CO	2755
+CC(C)(C)[Si](C)(C)OCC(CCP(OCC)(OCC)=O)ONc1c(c(ncn1)Cl)NC=O	3381
+CC(C)(C)[Si](C)(C)OCC(CCP(OCC)(OCC)=O)On1c2ncnc(Cl)c2nc1	1876
+CC(C)(C)[Si](C)(C)OCC(On1c2ncnc(c2nc1)N)CCP(OCC)(OCC)=O	1095
+CN(C)CC(CO)OCCCCCCCCC=CCC=CCCCCC	35
+C(C(C)CN1c2cc(C)ccc2OCC1=O)O	35
+CC(C)(C)OC(=O)NCC(CO)n1c2c3c(cccc3)ncc2nc1CCl	35
+CC(C)(C)OC(=O)NCC1COCc2nc3c(c4ccccc4nc3)n12	2860
+CC(C)(C)[Si](C)(C)OCC(C=O)OC	24
+CC(C)(C)[Si](C)(C)OCC(c1ccccc1)CN(S(=O)(=O)c2ccccc2)C	2715
+C(CCCCCCC(=O)OCC(CO)OC)C=CCCCCCCCC	35
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(nc(SCc2c(c(F)ccc2)F)n1)Cl)COC(C)C	145
+CC(C)(C)[Si](C)(C)OCC(On1cnc2c(N)ncnc12)COCP(OCC)(OCC)=O	1095
+c1cc(ccc1)COCC2n3c(COC2)nc4cnc5ccccc5c34	2860
+c1ccccc1COCC(CO)n2c3c(cnc4c3cccc4)nc2CCl	35
+CC(C)(C)[Si](C)(C)OCC1Cc2ccc3c(c2O1)CCC3	419
+C(C(C)Cn1ncc2c1ccc(C)c2)O	35
+CC(C)(C)[Si](C)(C)OCC(NC)CC=C	2
+CC(C)(C)[Si](C)(C)OCC(N1C=Cc2c(cccc2N)C1=O)C(=O)OC	0
+CC(C)(C)[Si](C)(C)OCC(N1C=Cc2c(cccc2NC(C(c3ccc(Cl)c(c3)Cl)C)=O)C1=O)C(=O)OC	33
+CC(C)(C)[Si](C)(C)OCC(C(=O)OC)N1C(c2cccc(c2C=C1)NC(C(C)c3ccc(cc3)Cl)=O)=O	33
+CC(C)(C)[Si](C)(C)OCC(C(NC)=O)N1C=Cc2c(cccc2NC(C(c3ccc(Cl)c(c3)Cl)C)=O)C1=O	248
+N#CC1CC(CN1C(CO)=O)F	4230
+CC(C)(C)[Si](C)(C)OCC(N1c2nc(c(cc2C(C(=C1)C(OCC)=O)=O)CNc3c(cc(cc3F)F)F)OC)C(C)C	7638
+CC(C)(C)[Si](C)(C)OCC(N1c2nc(c(C)cc2C(C(=C1)C(OCC)=O)=O)OC)C(C)C	4188
+CC(C)(C)[Si](C)(C)OCC(Nc1c(C)c(C)nc(c1N)Cl)C	13
+CC(C)(C)[Si](C)(C)OCC(Nc1c(ccc(n1)OC)N)COCc2ccccc2	13
+CC(C)(C)[Si](C)(C)OCC(CN(C)C)OCCCCCCCCC=CCC=CCCCCC	967
+CC(C)(C)[Si](C)(C)OCC(OC)COCc1ccccc1	76
+CC(C)(C)[Si](C)(C)OCC(Cc1ccc2c(c1O)CCC2)O	16
+CC(C)(C)[Si](C)(C)OCC(c1cc(NC(=O)OCc2ccccc2)ccc1)OS(=O)(=O)C	7
+CC(C)(C)[Si](C)(C)OCC(c1ccc(Cl)c(F)c1)OS(=O)(=O)C	7
+CC(C)(C)[Si](C)(C)OCC(CO)OC	118
+Clc1cnc(cc1)NC(C(Oc2c3cnn(-c4ncccc4Cl)c3ncn2)COC(CO)C)=O	35
+CC(C)(C)[Si](C)(C)OCC(C)OCC(C(OC)=O)Oc1c2c(n(-c3ncccc3Cl)nc2)ncn1	7639
+CC(C)(C)[Si](C)(C)OCC(CCP(OCC)(OCC)=O)ON	670
+CC(C)(C)[Si](C)(C)OCC(COCP(OCC)(OCC)=O)On1cnc2c1ncnc2Cl	1876
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(cc(Oc2ncc(C(N3CCC3)=O)cc2Cl)c1)C(Nc4cnc(cn4)C)=O)C	1351
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(Oc2ccc(cc2F)C(=O)N3CCC3)cc(c1)C(=O)Nc4sccn4)C	900
+C1N(CC1)C(c2cnc(Oc3cc(cc(c3)OC(C)CO)C(Nc4cnc(cn4)C)=O)c(Cl)c2)=O	35
+C(C)OP(OCC)(COCC(CO)On1cnc2c(N)ncnc12)=O	35
+O=S(=O)(N(C)CC(CO)c1ccccc1)c2ccccc2	35
+CC(C)(C)[Si](C)(C)OCC1(SCCn2c(C3(CC3)c4ccc(cc4)-c5ccc(C#N)cn5)nnc2C1)C	4234
+CC(C)(C)[Si](C)(C)OCC1(SCCn2c(C3(CC3)c4ccc(cc4)Br)nnc2C1)C	4234
+CC(C)(C)[Si](C)(C)OCC1(CC1)CNCC(OC)=O	1315
+CC(C)(C)[Si](C)(C)OCC1(CC1)C=O	24
+C1CC1(c2nnc3CC(CO)(SCCn23)C)c4ccc(cc4)-c5ccc(C#N)cn5	35
+c1cc(ccc1C2(CC2)c3nnc4CC(CO)(SCCn34)C)-c5occn5	35
+CC(C)(C)[Si](C)(C)OCC1(SCCn2c(C3(CC3)c4ccc(cc4)-c5occn5)nnc2C1)C	4235
+C1C2(CO)CC2C(N1Cc3ccc(cc3OC)OC)=O	35
+CC(C)(C)[Si](C)(C)OCc1cc(C#N)nc(C)c1	7640
+CC(C)(C)[Si](C)(C)OCc1cc(C#N)ncc1	1303
+CC(C)(C)[Si](C)(C)OCC=1C(=O)N(C(N(C=1)C(NCCCCCC)=O)=O)C	2726
+CC(C)(C)[Si](C)(C)OCC1C(C)=CC2CN1C(N2OCC=C)=O	4236
+CC(C)(C)[Si](C)(C)OCC1C(=CC(NOCC=C)CN1)C	2862
+C(=C)CON1C(N2CC1C=C(C2CO)C)=O	35
+CC(C)(C)[Si](C)(C)OCC1C(C)(CCC(C1)OC(=O)C)C2CCC3(C(CCC3=C)C2CC#N)C	300
+CC(C)(C)[Si](C)(C)OC1C(CO[Si](C)(C)C(C)(C)C)CC(C1)Oc2ncnc(Cl)c2	145
+CCOC(=O)C=C1CC(C(CO)C1)CC	35
+CC(C)(C)[Si](C)(C)OCC1C(COC(C)O1)CC=CCCCC(O)=O	3684
+CC(C)(C)[Si](C)(C)OCC1N(C(OC(C)(C)C)=O)CCC1Oc2cc(F)cc([N+](=O)[O-])c2	57
+CC(C)(C)[Si](C)(C)OCC1C(COC(C)O1)CC=CCCCC(=O)OC	325
+CC(C)(C)[Si](C)(C)OCC1CC1(CC#N)c2ncccc2	300
+CC(C)(C)[Si](C)(C)OCC1C(Cc2ccccc12)OS(=O)(=O)C	7
+O(C(=O)N1CC=C(CC1CO)C=2NC(=S)SC=2)CC=C	35
+c1cc(ccc1N2CC(Cn3ccnn3)OC2=O)-c4ccc(cc4)C=5CC(CO)ON=5	35
+C(C1CC(CC1OC(=O)C)n2ccc3c2ncnc3NC4CCc5ccccc45)O	35
+CC(C)(C)[Si](C)(C)OCC1C(C2CCC3(C)C(CCC3C2COS(=O)(=O)C)=C)(C)CCC(C1)OC(=O)C	7
+CC(C)(C)[Si](C)(C)OCC1CC1(c2ccccn2)CCN	51
+CC(C)(C)[Si](C)(C)OCC1C(COS(=O)(=O)C)(C1)c2ncccc2	7
+C(O)C1CC1(CCN)c2ncccc2	35
+CC(C)(C)[Si](C)(C)OCC1CC1(CO)c2ncccc2	237
+CC(C)(C)[Si](C)(C)OCC1CCC(CC1)(C=C)OC	4237
+CC(C)(C)[Si](C)(C)OCC1CCC(CC1)CNCC	15
+O=Cc1c(cc(N2C(CO)CCCC2)s1)Br	35
+c1(ccc(N2CC(CO)CCC2)cc1C(Nc3c(C)c(C(OC)=O)ccc3C)=O)C	35
+CC(C)(C)[Si](C)(C)OCC1CCCN(c2ccc(c(C(Nc3c(C)c(ccc3C)C(OC)=O)=O)c2)C)C1	79
+C1CCC(C1)n2c3c(cnc(Nc4ncc(N5CCC(CC5)CO)cc4)n3)c6ccnc(c26)F	35
+CC(C)(C)[Si](C)(C)OCC1CCN(CC1)c2cnc(Cl)cc2	244
+CC(C)(C)[Si](C)(C)OCC1CNCCN1C2COC2	2
+CC(C)(C)OC(Nc1cc(cc(N2CCN(C(C2)CO)C3COC3)c1Cl)C#N)=O	35
+c1cc(ccc1)CN2CC3COCCN3CC2CO	35
+C1Cc2c(c3c(CC(CO)O3)cc2)C1	35
+CC(C)(C)[Si](C)(C)OCC1CN2CCOCC2CN1Cc3ccccc3	48
+C1(C(OC(N2C=C(I)C(N)=NC2=O)C1)CO)OCC=C	7641
+CC(C)(C)[Si](C)(C)OCC1C(CC=O)COC(O1)C	578
+C1C(CO)OC(C1OC(C)=O)n2cnc3c2ncnc3N	35
+c1(c2[nH]c(C(=O)NC3C(c4c(cccc4)C3)CO)cc2sc1Cl)Cl	35
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2ncnc3sc4c(C(CO)CC4)c23)C	35
+CC(C)(C)[Si](C)(C)OCC1c2c(cccc2)CC1NC(=O)c3cc4sc(c(Cl)c4[nH]3)Cl	81
+O=C(N1C=C(CO)C(=O)N(C1=O)C)NCCCCCC	2755
+CC(C)(C)[Si](C)(C)OCCOc1c(OC)cc([N+]([O-])=O)cc1	8
+CC(C)(C)[Si](C)(C)OCCn1c2ccccc2nc1CN(C)C(=O)CN3C(Sc4c3cc(Cl)cc4)=O	656
+CC(C)(C)[Si](C)(C)OCCOc1c(nc(C=O)cc1)Br	458
+CC(C)(C)[Si](C)(C)OCCOc1ccc(c(OC)c1)[N+]([O-])=O	8
+CC(C)(C)[Si](C)(C)OCCn1ncc2cc(c(cc12)[N+]([O-])=O)C	1090
+CC(C)(C)[Si](C)(C)OCCOc1c(c(-c2c(F)ccc(n2)C(=O)OC)c(cc1)F)F	8
+CC(C)(C)[Si](C)(C)OCCOc1ccc2c(nc(-c3ccc(cc3)[N+](=O)[O-])cn2)c1	8
+CC(C)(C)[Si](C)(C)OCCOc1ccc(cc1)-c2oc(nc2-c3ccc(cc3)OC)OC	8
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)Br	601
+CC(C)(C)[Si](C)(C)OCCC(c1nnc2cc(-c3ccnc(n3)Nc4n(C)ncc4)cc(F)n12)Oc5ccccc5	757
+CC(C)(C)[Si](C)(C)OCCC(c1nnc2cc(-c3ccnc(SC)n3)cc(n12)F)Cn4ncc(c4)Cl	757
+CC(C)(C)[Si](C)(C)OCCC(C(NNc1nc(cc(c1)-c2nc(SC)ncc2)F)=O)Cn3cc(Cl)cn3	355
+CC(C)(CCO)CCN=[N+]=[N-]	35
+CC(C)(C)[Si](C)(C)OCCC(C)(C)CCOS(=O)(=O)C	7
+CC(C)(C)[Si](C)(C)OCCC(C)(C)CCN=[N+]=[N-]	133
+CC(C)(C)[Si](C)(C)OCCC(CC=CC)C	1516
+Clc1cccc(c1)-c2nnn(n2)C(CCO)C	35
+CC(C)(C)[Si](C)(C)OCCC(CCO)C	95
+c1ccccc1COC(CCO)CCCCCCCCCCC	35
+CC(C)(C)[Si](C)(C)OCCC(C)CC=O	24
+CC(C)(C)OC(NC(C(=O)OC1CCCC1)CCO)=O	35
+CC(C)(C)[Si](C)(C)OCCC(c1ccccc1)(O)CCN	18
+CC(C)(C)[Si](C)(C)OCCC(OC(=S)Oc1ccccc1)C=2C=CN(C(=O)C=2)C3=CC(C)(C)Oc4c3cc(C#N)cc4	7642
+CC(C)(C)[Si](C)(C)OCCC(=O)C1CCCN1C(C2N(C(NCc3ccccc3)=O)CCC2)=O	86
+CC(C)(C)[Si](C)(C)OCCC(CCCCCCCCCCC)OCc1ccccc1	1476
+CC(C)(C)[Si](C)(C)OCCC(C(=O)NNc1cc(cc(F)n1)-c2nc(ncc2)Nc3n(C)ncc3)Oc4ccccc4	355
+CC(C)(C)[Si](C)(C)OCCC(O)(c1ccccc1)CCN=[N+]=[N-]	558
+c1ccccc1OC(c2nnc3cc(-c4ccnc(n4)Nc5n(C)ncc5)cc(F)n23)CCO	35
+c1cc(ccc1C#N)C(n2cncc2)CCO	35
+CC(C)(C)[Si](C)(C)OCCc1ccnc(C#N)c1	1303
+CC(C)(C)[Si](C)(C)OCCC1C(C1)C2CCN(CC2)c3ncc(cc3)CO	269
+CC(C)(C)[Si](C)(C)OCCC1C(C1)C2CCN(CC2)c3ccc(COC)cn3	76
+CC1(C)OCC(CCO)N(Cc2ccccc2)C1	35
+CC(C)(C)[Si](C)(C)OCCC1COC(C)(C)CN1Cc2ccccc2	15
+CC(C)(C)[Si](C)(C)OCCC1N(Cc2ccccc2)C(C(C)(C)OC1)=O	7643
+c12c(cc(cc1)C(=O)N)CCOC2CCO	35
+c12c(CCOC1CCO)cc(-c3cnccc3)cc2	35
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)C(=O)OCC	1232
+CC(C)(C)[Si](C)(C)OCCCN1CC(F)(F)CCC1	28
+CC(C)(C)[Si](C)(C)OCCCOc1cc(c(C=O)cc1)OC	8
+CC(C)(C)[Si](C)(C)OCCCN(CCN1CCS(CC1)(=O)=O)S(=O)(=O)c2c(cccc2)[N+](=O)[O-]	831
+CC(C)(C)[Si](C)(C)OCCCOc1ccc(cc1Br)-c2ccc(cc2)C(=O)OCC	8
+CC(C)(C)[Si](C)(C)OCCCN1C(=O)c2n(c(Br)nc2N(C1=O)C)Cc3ccc(cc3)Cl	1474
+CC(C)(C)[Si](C)(C)OCCCC#C[Si](C)(C)C	7644
+CC(C)(C)[Si](C)(C)OCCCc1c2c([nH]c1[Si](C)(C)C)ccc(C(=O)OCC)c2	4238
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)CO	44
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)C=CCO	2624
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)C=O	24
+CC(C)(C)[Si](C)(C)OCCCC(Oc1cc(ccc1C#N)Cl)c2ccsc2	20
+Clc1cc(OC(CCCO)c2ccsc2)c(cc1)C#N	35
+O=S(=O)(N1C(CN(C(OCc2ccccc2)=O)CC1)CCCO)c3ccccc3	35
+CC(C)(C)[Si](C)(C)OCCCC1CN(C(OCc2ccccc2)=O)CCN1S(=O)(=O)c3ccccc3	66
+CC(C)(C)[Si](C)(C)OCCCC1N(CCNC1)S(=O)(=O)c2ccccc2	25
+CC(C)(C)[Si](C)(C)OCCCC1N(S(=O)(=O)c2ccccc2)CCN(C1)Cc3ccccc3	92
+CC(C)(C)[Si](C)(C)OCCCCN1c2c(N=CC1=O)ccc(c2)OC	7645
+C(CCCCO)C(C)OC	35
+CC(C)(C)[Si](C)(C)OCCCCCCC#N	830
+CC(C)(C)[Si](C)(C)OCCCCCCCN	51
+CC(C)(C)N(C(=O)C(=O)OCC)CCCCCCO	35
+c1ccccc1C(N(C2CCCCC2)CCCCCCO)=O	35
+CC(C)(C)[Si](C)(C)OCCCCCCN(C1CCCCC1)C(c2ccccc2)=O	115
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCO	35
+COc1cc2N(C(=O)C=Nc2cc1)CCCCO	35
+CC(C)(C)[Si](C)(C)OCCCCn1cnc2cnc3ccccc3c12	919
+CC(C)(C)[Si](C)(C)OCCCCNc1c(N)cnc2c1cccc2	13
+n1c2c(n(CCCCO)c1)c3c(cccc3)nc2	35
+c1cc(ccc1)COC(=O)N(CC)CCCO	35
+c1ccccc1COC(=O)N(CCCO)C	35
+C(O)CCN(C)c1c(F)cnc(Cl)n1	35
+CC(C)(C)[Si](C)(C)OCCCNCCN1CCS(CC1)(=O)=O	1385
+N1(C(=O)N(c2c(c(C)c(Br)s2)C1=O)C)CCCO	35
+FC1(F)CN(CCCO)CCC1	35
+CC(C)(C)[Si](C)(C)OCCCN(C)C(=O)OCc1ccccc1	4239
+CC(C)(C)[Si](C)(C)OCCCNc1ccc(NS(=O)(=O)c2ccc(cc2)NC(C)=O)cc1N	0
+CC(C)(C)[Si](C)(C)OCCCN(C)c1nc(Cl)ncc1F	1347
+CC(C)(C)[Si](C)(C)OCCCONC(=O)c1c(cc(cc1)F)Nc2c(C)cc(I)cc2	514
+CC(C)(C)[Si](C)(C)OCCCON	670
+c1c(cc(C)c(Nc2c(C(NOCCCO)=O)ccc(c2)F)c1)I	35
+CC(C)(C)[Si](C)(C)OCCCOc1ccc(CO)c(OC)c1	41
+Cc1nc(N)nc(c1Cc2c(cc(cc2)OCCCO)OC)NC(CCOC(C)=O)CCC	35
+CC(C)(C)OC(n1nc(CCCO)c2c1c(ccc2Nc3c(-c4ncccn4)oc5cnccc35)Cl)=O	35
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCCO	35
+CC(C)(C)[Si](C)(C)OCCCc1ccc(cc1)-c2nc(c(nc2)N)C(=O)Nc3cccnc3	7646
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1F)C2CCC(CC2)CC(=O)OC	1627
+CC(C)(C)[Si](C)(C)OCCN(c1ccccc1)C(=O)Cc2cccc(c2)C(NO)=O	1133
+c1ccccc1COc2c(C(=O)N(CCO)C)nc(nc2O)CC3(CCCC3)c4ncccc4	35
+C1COC(O1)CCN(CCO)C(C)=O	35
+Clc1cccc(Cl)c1Cc2nc(O)c(OCc3ccccc3)c(C(=O)N(CCO)C(C)C)n2	35
+CC(C)(C)[Si](C)(C)OCCN(C(c1csc(n1)N2CC(C2)SC(=O)C)=O)C	2128
+CC(C)(C)[Si](C)(C)OCCN(C(c1csc(N2CC(C2)OS(=O)(=O)C)n1)=O)C	7
+c1cc(ccc1C(OCC)=O)N(C)CCO	35
+CC(C)(C)[Si](C)(C)OCCNCCC1OCCO1	25
+Clc1nc(nc(Cl)c1C(=O)N(c2ccc(cc2)Br)CCO)C	35
+c1ccccc1N(CCO)C(Cc2cccc(c2)C(NO)=O)=O	35
+CC(C)(C)[Si](C)(C)OCCN(c1ccccc1)C(Cc2ccc(cc2)C(=O)NO)=O	1133
+CC(C)(C)[Si](C)(C)OCCN1c2cc3c([nH]c(n3)-c4cc([nH]n4)C)cc2C(C)(C)C1=O	567
+CC1(C)c2c(cc(Br)s2)C(=O)N1CCO	35
+CC(C)(C)[Si](C)(C)OCCN1c2nn(Cc3ccc(cc3)OC)cc2-c4c(sc(Nc5ncc(cn5)F)n4)CC1	7647
+C1CN(CCN1c2cnc(cc2)Nc3nc4n(C5CCCC5)c6c(nccc6c4cn3)F)CCO	35
+CC(C)(C)[Si](C)(C)OCCN1CCN(CC1)c2ccc(Cl)nc2	244
+CC1(C)C(=O)N(CCO)c2cc3c([nH]c(n3)-c4cc([nH]n4)C)cc12	35
+c1cc(ccc1OC)Cn2nc3c(c2)-c4c(sc(Nc5ncc(cn5)F)n4)CCN3CCO	35
+CC(C)(C)[Si](C)(C)OCCN(C(=O)c1nc(nc(c1OCc2ccccc2)O)CC3(CCCC3)c4ncccc4)C	147
+CC(C)(C)[Si](C)(C)OCCN(C(C)C)C(=O)c1nc(nc(c1OCc2ccccc2)O)Cc3c(Cl)cccc3Cl	147
+C1CCC(C1)CCC(Nc2c(ccc3nc(N4CCC(NCCO)C4)ccc23)Cl)=O	35
+CC(C)(C)[Si](C)(C)OCCN1c2c(cc(I)cc2F)C(=O)C(C(=O)OCC)=C1	2020
+CC(C)(C)[Si](C)(C)OCCN(C(C)=O)CCC1OCCO1	58
+CC(C)(C)[Si](C)(C)OCCN(C(=O)Cc1ccc(cc1)C(OC)=O)c2c3c(ccc2)cccn3	7648
+CC(C)(C)[Si](C)(C)OCCNc1c2ccc(cc2ncc1N)OCc3ccccc3	13
+CC(C)(C)[Si](C)(C)OCCN(c1ccc(cc1)Br)C(=O)c2c(Cl)nc(nc2Cl)C	4240
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)N2CCc3c(n(nc3C(=O)OCC)-c4ccc(cc4)OC)C2=O	7649
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2c(nccn2)C(Nc3ccc(C#N)cn3)=O)=O	466
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2nccnc2C(Nc3ccc(cn3)C)=O)=O	466
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(=O)c2c(NC(c3ccc(Cl)s3)=O)nccc2	246
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(=O)c2nccnc2NC(c3ccc(cc3)Cl)=O	466
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2c(NC(c3sc(cc3)Cl)=O)cncc2)=O	67
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)N2CCc3c(n(-c4ccc(cc4)OC)nc3C(N)=O)C2=O	1201
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)N2C(=O)c3n(-c4ccc(cc4)OC)nc(C(N)=O)c3CC2	247
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)N2C(c3c(CC2)c(C(=O)O)nn3-c4ccc(cc4)OC)=O	6
+CC(C)(C)[Si](C)(C)OCCN(c1ccc(cc1)NC(=O)c2c(NC(c3ccc(Cl)s3)=O)nccc2)C#N	1201
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)NC(c2nccnc2NC(c3ccc(cc3)Cl)=O)=O	1201
+CC(C)(C)[Si](C)(C)OCCN(c1ccc(cc1)NC(c2c(NC(c3sc(cc3)Cl)=O)cncc2)=O)C#N	1201
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)NC(c2nccnc2C(=O)Nc3ccc(C#N)cn3)=O	1201
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)NC(c2c(C(=O)Nc3ccc(cn3)C)nccn2)=O	1201
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)N	0
+CC(C)(C)[Si](C)(C)OCCN(C(=O)c1c(ncnc1Cl)Cl)c2c(F)cc(cc2)C3CCC(CC3)CC(=O)OC	4240
+CC(C)(C)[Si](C)(C)OCCN(c1ccccc1)C(Cc2ccc(cc2)C(OC)=O)=O	429
+CC(C)(C)[Si](C)(C)OCCOCCC(C)(C)CC=O	24
+CC(C)(C)[Si](C)(C)OCCOCCCCCCN1CC(OC1=O)c2cc3c(cc2)OC(C)(C)OC3	3986
+CC1(C)OCc2c(ccc(c2)C3OC(=O)N(CCCCCCOCCO)C3)O1	35
+CC(C)(C)[Si](C)(C)OCCOCC=O	24
+CC(C)(C)[Si](C)(C)OCCOCc1ccc(cc1)CO	98
+c1c(OCCO)c(cc([N+]([O-])=O)c1)OC	35
+CC(C)(C)[Si](C)(C)OCCOc1ccc(C=O)nc1-c2ccc(cc2)C(=O)N(C)C	119
+c12c(cc(c(c1OC)OC)OC)nc(nc2O)N(Cc3cccc(c3)OCCO)C	35
+CC(C)(C)[Si](C)(C)OCCOc1ccc(N)c(C)c1	0
+CC(C)(C)[Si](C)(C)OCCOc1cc(C=O)cc(C)c1	7650
+CC(C)(C)[Si](C)(C)OCCOc1cccc(CNC)c1	1172
+CN(C)C(c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCO)=O	35
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCO	35
+CC(C)(C)[Si](C)(C)OCCOc1ccc(-c2nc(c3c(cc(OC)cc3OC)n2)O)nc1-c4ccc(cc4)C(N(C)C)=O	2863
+CC(C)(C)[Si](C)(C)OCCOc1ccc(N)c(OC)c1	0
+c1(cc(ccc1[N+]([O-])=O)OCCO)OC	35
+c1cc(ccc1OC)-c2nc(oc2-c3ccc(cc3)OCCO)OC	35
+CC(C)(C)[Si](C)(C)OCCOc1ccc2c(nc(-c3ccc(cc3)N)cn2)c1	0
+CC(C)(C)[Si](C)(C)OCCOc1cc(ccc1)C=NC	853
+CC(C)(C)[Si](C)(C)OCCOc1cc(CN(C)c2nc(c3c(OC)c(c(cc3n2)OC)OC)O)ccc1	549
+CC(C)(C)[Si](C)(C)OCCSc1c(-c2ccccc2)c(C(C)N3C(=O)c4ccccc4C3=O)nc5ccc(cc15)F	7651
+CC(C)(C)[Si](C)(C)OCCSc1c(c(C(Br)C)nc2ccc(cc12)F)-c3ccccc3	7652
+CC(C)(C)[Si](C)(C)OCCSc1ccc(c(C)n1)N	13
+C1CC2(CCN1Cc3cccc(CCO)c3F)CN(C(=O)c4csc(n4)C(C)C)CCO2	35
+CC(C)(C)[Si](C)(C)OCCc1cc(cc(F)c1N(Cc2ccccc2)C)N	0
+CC(C)(C)[Si](C)(C)OCCc1cc(cc(F)c1N(Cc2ccccc2)C)NC(=O)OCc3ccccc3	90
+CC(C)(C)[Si](C)(C)OCCc1csc(CCOC(=O)C)c1	204
+c1cc(ccc1OCc2ccccc2)-n3c4ccccc4cc3CCO	35
+CC(C)(C)[Si](C)(C)OCCC1=CC(=C=[N-])[N+](=O)C=C1	1269
+CC(C)(C)[Si](C)(C)OCCc1ccc(c(OCc2ccccc2)c1)C=O	139
+CC(C)(C)[Si](C)(C)OCCc1ccc(CC=O)s1	24
+CC(C)(C)[Si](C)(C)OCCc1ccc(c(CO)c1)F	41
+c1cc(ccc1CCO)-c2cc3c(CN(CC3)C(=O)COC(C)=O)cc2	35
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCO	35
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)C(OC(C)C)=O	7653
+c1cc(ccc1C(OC(C)C)=O)CCO	35
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)CC(C)(C)C(=O)OC	1389
+CC(C)(C(=O)OC)Cc1ccc(cc1)CCO	35
+CC(C)(C)[Si](C)(C)OCCc1ccc(c(c1)C=O)F	151
+CC(C)(C)[Si](C)(C)OCCc1ccccc1C(=N)NO	181
+CC(C)(C)[Si](C)(C)OCCc1cccc(C=O)c1F	151
+C(O)Cc1ccnc(C#N)c1	35
+CC(C)(C)[Si](C)(C)OCCc1cc[n+](cc1)[O-]	341
+CC(C)(C)[Si](C)(C)OCCc1ccsc1C(O)c2ccc(cc2)F	7654
+CC(C)(C)[Si](C)(C)OCCc1cnn(-c2nccc(C#N)c2)c1	1706
+c1(nccc(C#N)c1)-n2ncc(CCO)c2	35
+O(C(C)=O)CCc1scc(CCO)c1	35
+o1nc(CCO)cc1-c2cnc(nc2NCCC)Nc3cccc(c3)F	35
+c1cc(ccc1C2CC(=O)NC=C2C(Nc3cc4c(cnn4CCO)cc3C)=O)F	35
+CC(C)(C)[Si](C)(C)OCCn1c2c(cn1)cc(C)c(NC(C3=CNC(CC3c4ccc(cc4)F)=O)=O)c2	4241
+c12c(cc(Cl)cc1)N(C(=O)S2)CC(N(Cc3nc4c(cccc4)n3CCO)C)=O	35
+C1Cc2nn(cc2-c3c1c4c(ncnc4s3)Nc5cc(c(cc5)OCc6ncccc6)Cl)CCO	35
+CC(C)(C)[Si](C)(C)OCCn1ccc2cc(c(cc12)NC(C3=CNC(CC3c4ccc(cc4)F)=O)=O)C	4241
+c12c(ccc(Cl)c1F)c(Sc3cc(ccc3)C(=O)OCC)c(C)n2-c4cn(nc4)CCO	35
+CC(C)(C)[Si](C)(C)OCCn1c2CCCC(O)c2cn1	4242
+CC(C)(C)[Si](C)(C)OCCn1c2cc(c(C)cc2cn1)N	0
+CC(C)(C)[Si](C)(C)OCc1cc(ncc1C)Nc2ncc(C#N)s2	1178
+CC(C)(C)[Si](C)(C)OCc1c(cccc1C=CC(=O)OCC)OC	233
+C1OC(CCC1)OCc2nnc(OC)c(CO)c2	35
+CC(C)(C)[Si](C)(C)OCc1cc(OCOC)cc(C2CCCC2C(=O)c3ccc(cc3)OCOC)c1OCOC	586
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCC(Nc4c(cc(CO)c(OC)c4)Cl)=O)=O)O	35
+CC(C)(C)[Si](C)(C)OCc1c(cncc1O)O	321
+c1ccccc1-c2ncc(CO)c(Nc3[nH]nc(c3)C4CC4)n2	35
+CC(C)(C)[Si](C)(C)OCc1c(nc(-c2ccccc2)nc1)Nc3cc(n[nH]3)C4CC4	345
+CC(C)(C)[Si](C)(C)OCc1c(nnc(CO)c1)OC	398
+CC(C)(C)[Si](C)(C)OCc1c(OC)nnc(c1)COC2CCCCO2	1646
+c1c(CO)c2c(cc1)C(CCN2CC)OCC=C	35
+CC(C)(C)[Si](C)(C)OCc1c2N(CC)CCC(O)c2ccc1	74
+CC(C)(C)[Si](C)(C)OCc1cccc2C(CCN(c12)CC)=C	1707
+CC(C)(C)[Si](C)(C)OCc1c2cccc(C)c2c(c(c1)C=O)OCOC	151
+CC(C)(C)[Si](C)(C)OCc1cccc(-c2cc(N)ccc2F)c1	0
+CC(C)OCc1cc(CO)cc(Br)c1	35
+c1(nc(cc(CO)c1)C#N)C	35
+CC(C)(C)[Si](C)(C)OCC1=CC(=C=[N-])[N+](C(=C1)C)=O	7655
+CC(C)(C)[Si](C)(C)OCc1ccc(C(O)c2cc(ccc2)C)c(c1)C	257
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1Cl)CCNC(C)=O	68
+CCC(NCCc1cc(Cl)c(c(CO)c1)Cl)=O	35
+CC(C)(C)[Si](C)(C)OCc1cc(CCl)cc(Cl)c1	229
+CC(C)(C)[Si](C)(C)OCc1cc(nc(Cl)c1)I	1463
+CC(C)(C)OC(N(C)c1cc(ccn1)CO)=O	35
+CC(C)(C)[Si](C)(C)OCc1cc(N(C(=O)OC(C)(C)C)C)ncc1	4134
+c1c(C)c(c(cc1C)C)NC(Nc2cc(ccc2)CO)=S	35
+c1c(OCC)c(c(cc1CO)OCC)F	35
+CC(C)(C)[Si](C)(C)OCc1c(OCOC)c(C2CCCC2C(N(C)OC)=O)cc(OCOC)c1	4243
+CC(C)(C)[Si](C)(C)OCc1cc(Cl)cc(CO)c1	98
+CC(C)(C)[Si](C)(C)OCc1cc(CCNC(=O)CC)cc(c1Cl)Cl	9
+CC(C)(C)[Si](C)(C)OCc1cc(Br)cc(COC(C)C)c1	149
+C(O)c1c(Cl)ccc(CCNC(C)=O)c1	35
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1N)N2CCOCC2	0
+CC(C)(C)[Si](C)(C)OCc1c(ccc(c1)OC)N	0
+CC(C)(C)[Si](C)(C)OCc1sc(C=O)c(c1)C	968
+n1c(Nc2ncc(C)c(CO)c2)sc(c1)C#N	35
+c12c(c(cc(Cl)c1)F)n(c(CO)c2)CCC(OCC)=O	35
+c12cc(ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(OC)cc4C)CO	35
+c1(cc(ccc1)-n2nc(C(=O)OC)c3cc(ccc23)CO)Br	35
+CC(C)(C)[Si](C)(C)OCc1n(c2c(cc(cc2)C(=O)CC)c1)C	586
+CC(C)(C)[Si](C)(C)OCc1cc2c(cc1)n(nc2C(=O)OC)-c3cc(Br)ccc3	1708
+CC(C)(C)OC(=O)n1c(-c2c(Cl)nc3ccccc3c2)cc4cc(CO)ccc14	35
+CC(C)(C)[Si](C)(C)OCc1cc(c2ncccc2c1)C=O	7656
+n12c(c(C(=O)OC)cn1)cc(cc2)CO	35
+CC(C)(C)[Si](C)(C)OCc1cc2c(c3c(ncc(CCc4c(C)cc(OC)cc4)c3)c(n2)N)cc1	2829
+CC(C)(C)[Si](C)(C)OCC1=CC([N+](=O)C=C1)=C=[N-]	1269
+CC(C)(C)[Si](C)(C)OCc1ccc(c(C(Cl)C(C)(C)C)c1)-c2cc(ccc2F)OC	3899
+CC(C)(C)[Si](C)(C)OCc1ccc(c(c1)N)C(C)(C)C	0
+CC(C)(C)[Si](C)(C)OCc1cc([N+]([O-])=O)c(cc1)C(N)=O	7657
+CC(C)(C)[Si](C)(C)OCc1cc(c(cc1)C)N(C)c2nc(ncc2)Cl	1121
+FC(F)(F)c1nn2c(c1)c(CO)ccc2COC	35
+CC(C)(C)[Si](C)(C)OCc1cnc(NC(=O)Oc2ccccc2)cc1	278
+CC(C)(C)[Si](C)(C)OCc1cc(CC(C)(C)C)c(cc1)-c2cc(ccc2F)OC	4244
+CC(C)(C)[Si](C)(C)OCc1ccc(-c2c(ccc(c2)OC)F)c(C(O)C(C)(C)C)c1	74
+CC(C)(C)[Si](C)(C)OCc1ccc(C(O)=O)c([N+]([O-])=O)c1	1
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C(CC#N)=O	4245
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C(=O)Cl	82
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)OC(=O)Oc2ccc(cc2)[N+]([O-])=O	644
+c1cc(ccc1CO)OP(OCC)(OCC)=O	35
+FC(F)(F)c1cc2c(ccc(n2n1)I)CO	35
+CC(C)(C)c1nn(c(CNC(=O)Nc2ncc(cc2)CO)c1)-c3cc(ccc3)Cl	35
+n1(c2ccc(CO)cc2nc1CN(CCC)C(c3c(F)ccc(F)c3)=O)CCC	35
+CC(C)(C)[Si](C)(C)OCc1cc2c(n(CCC)c(CNCCC)n2)cc1	3430
+C(C)OC(=O)c1cn(-c2cc(CO)ccc2)cn1	35
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)C2(CCOCC2)OC	76
+CC(C)(C)[Si](C)(C)OCc1nc(C=CC(=O)OCC)ccc1	7658
+CC(C)(C)[Si](C)(C)OCc1cccc(n1)CCCN2CCOCC2	15
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)CCC(=O)O	3
+CC(C)(C)[Si](C)(C)OCc1cc(NC(Nc2c(cc(cc2C)C)C)=S)ccc1	773
+O(CC=C)P(OCC=C)(=O)OCc1c(cccc1C)CO	35
+C=CCOP(OCC=C)(OCc1c(Cl)cccc1CO)=O	35
+C1COCCN1CCCc2nc(CO)ccc2	35
+CC(C)(C)[Si](C)(C)OCc1nc2ncc(-c3cccc(-c4c(cccc4)C#N)c3)n2cc1	7659
+CC(C)(C)[Si](C)(C)OCc1cc(C)[n+]([O-])cc1	103
+CC(C)(C)[Si](C)(C)OCc1cc[n+](cc1)[O-]	103
+CC(C)(C)[Si](C)(C)OCc1ccc(nc1)NC(=O)NCc2cc(nn2-c3cc(ccc3)Cl)C(C)(C)C	238
+CC(C)(C)[Si](C)(C)OCc1n(C)c2cc3c(C(O)CCCCC3)cc2c1	374
+CC(C)(C)[Si](C)(C)OCc1n(c2c(cc3C(CCCCc3c2)=O)c1)C	155
+CC(C)(C)[Si](C)(C)OCc1n(c2c(cc3c(CCCCCC3=O)c2)c1)C	155
+FC(F)(F)C(N=S(C)(CCCn1c(cc2cc(Cl)ccc12)CO[Si](C)(C)C(C)(C)C)=O)=O	3972
+CC(C)(C)[Si](C)(C)OCc1n(CCCS(C)=O)c2ccc(cc2c1)Cl	441
+CC(C)(OC)c1cccc(CO)n1	35
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(OCC)=O)n1	1253
+CC(C)(C)[Si](C)(C)OCc1cc(OC)c(C=O)c(n1)Cl	1031
+CC(C)(C)[Si](C)(C)OCc1nc(C(C)(C)OC)ccc1	76
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)NC(=O)Cn2ncc(c2)Oc3c4cc(c(OC)cc4ncn3)OC	142
+CC(C)(C)[Si](C)(C)OCc1sc(C(=N)NO)c(c1)C	7660
+CC(C)(C)[Si](C)(C)OCc1sc(C#N)c(c1)C	7661
+CC(C)(C)[Si](C)(C)Oc1c2c(ccc1Br)ccc(C=O)n2	501
+Cc1cc(cc(C)c1O)C2CC2	186
+C1CC1c2cc(OCC(OC)=O)c(cc2O)C	186
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1)C=O)C2CCCC2	39
+CC(C)(C)[Si](C)(C)Oc1ccccc1CO	41
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1CCC)C=C)CCC	2864
+O=Cc1c(c(ccc1F)O)F	186
+CC(C)(C)[Si](C)(C)Oc1c(c(C=O)ccc1)F	151
+CC(C)(C)[Si](C)(C)Oc1cc(C#N)ccc1N=C=Nc2c(cccc2)Br	4246
+CC(C)(C)[Si](C)(C)Oc1c(S(=O)(=O)N(C)C)c(ccc1N=C=Nc2ccccc2Cl)Cl	4246
+CC(C)OB(OC(C)C)c1cc(C2CCCCC2)c(O[Si](C)(C)C(C)(C)C)cc1	585
+O(c1cc(cc(OC)c1)C(c2ccc(O)c(OC)c2)=CC#N)C	186
+CC(C)(C)[Si](C)(C)Oc1cc(F)c(F)c(C=O)c1OC	151
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1)Oc2c(cc(cc2Cl)N)Cl)C(C)C	0
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1CCC)CCO)CCC	1709
+CCCc1cc(cc(CCC)c1O)CCO	186
+CC(C)(C)[Si](C)(C)Oc1c(CCC)cc(cc1CCC)C=O	39
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1OC)C(C=Cc2cc(c(cc2OC)OC)-c3cc4ccccc4s3)=O)OC	307
+c1(c2ccc(C)nc2c(cc1)O)Br	1710
+c1ccccc1COC(n2c3c(c(ccc3)O)cc2)=O	186
+CC(C)(C)[Si](C)(C)Oc1c(Br)ccc2ccc(nc12)C=NNc3ncccc3	1698
+CC(C)(C)[Si](C)(C)Oc1c2c(ccc1)n(C(OCc3ccccc3)=O)cc2	1825
+c1ccccc1COC(NCCCCc2c3ccccc3c(O)cc2)=O	186
+C(OC(Cn1c2c(cccc2O)cc1)=O)C	1710
+CC(C)(C)[Si](C)(C)Oc1cccc2c1nc(C=NNc3cc(ccn3)C)cc2	1698
+CC(C)(C)[Si](C)(C)Oc1ccc(c(NC(C)c2c(Cl)cc(cc2)Cl)c1)Cl	250
+CC(C)(C)[Si](C)(C)Oc1cccc(C2CC2)c1	365
+c1c(C(=C)c2ccc(OC)c(C)c2)cccc1O	186
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(-c2cccc(CO)c2)c(c1Cl)C	41
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(c1)C)-c2c3CCC(c3c(cc2)F)Oc4ccc5c(c4)OCC5CC(OC)=O	99
+Cc1cc(cc(C)c1-c2c3CCC(c3c(cc2)F)Oc4ccc5c(c4)OCC5CC(OC)=O)O	186
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(C)c1)-c2cc(C(OC)=O)ccc2OC(C)C	11
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(C)c1)-c2nc3n(c(OCCO)ccc3)c2Nc4ccc5OCCOc5c4	1891
+Clc1cccc(C(NCc2cc(c(Cl)cc2)O)C)c1	186
+CC(C)(C)[Si](C)(C)Oc1cc2oc(-c3cn4nc(sc4n3)Br)cc2c(OCc5cc(ccc5)OCc6ccccc6)c1	2865
+c1(cc(Sc2ccnc(c2)Nc3nc(C)cs3)ccc1)O	186
+CC(C)(C)[Si](C)(C)Oc1cc(c(N2C(c3c(C2=O)cccc3)=O)cc1)N	0
+CC(C)(C)[Si](C)(C)Oc1ccc(c(c1)N)NC(=O)c2cccc(C#N)c2	0
+CC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])c(cc1)N2C(=O)c3ccccc3C2=O	668
+CC(C)(C)[Si](C)(C)Oc1cc([N+]([O-])=O)c(NC(=O)c2cccc(C#N)c2)cc1	50
+CC(C)(C)[Si](C)(C)Oc1cc(c(cc1)N2C(=O)c3ccccc3C2=O)NC(C4CCN(CC4)c5ccncc5)=O	33
+CC(C)(C)[Si](C)(C)Oc1cc(cc(F)c1)C=O	146
+CC(C)(C)[Si](C)(C)Oc1cccc(-c2c(N)cccc2)c1	0
+CC(C)(C)[Si](C)(C)Oc1cccc(CN)c1	107
+c1ccc(O)cc1OCC(OC)=O	186
+CC(C)(C)[Si](C)(C)Oc1cc(CNC(c2cc(Cl)ccc2)C)ccc1Cl	370
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1OC)CO	41
+CC(C)(C)[Si](C)(C)Oc1c(ccc(c1)C(O)C)OC	4247
+CC(C)(C)[Si](C)(C)Oc1c(OC)ccc(c1)CCl	109
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)nc(Sc3oc(cc3)C=O)[nH]2	4248
+CC(C)(C)[Si](C)(C)Oc1cc2c(ccn2CC(=O)OCC)cc1	256
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)[nH]cc2Cl	573
+CC(C)(C)OC(n1nc(I)c2cc(O)ccc12)=O	186
+CC(C)(C)[Si](C)(C)Oc1ccc2[nH]nc(I)c2c1	538
+CC(C)(C)[Si](C)(C)Oc1ccc2[nH]nc(I)c2c1	2866
+c1c(O)cc(Br)c2[nH]ccc12	186
+C1N(CC1C(OC)=O)Cc2ccc3cc(ccc3c2)O	186
+C(OC(Cn1c2c(ccc(c2)O)cc1)=O)C	186
+c1(I)c2c(ccc(O)c2)n(n1)C	186
+c1c2c(n(CC(OCC)=O)cc2)ccc1O	186
+CC(C)(C)OC(n1c2c(c(N)n1)ccc(O)c2)=O	186
+CC(C)(C)OC(=O)Cn1c2c(ccc(O)c2)c(Cl)c1	186
+CC(C)(C)[Si](C)(C)Oc1cc2n(C(=O)OC(C)(C)C)nc(c2cc1)N	1131
+c1cc(ccc1)COc2cc(COc3c4cc(oc4cc(c3)O)-c5cn6c(sc(n6)OC)n5)ccc2	186
+CC(C)(C)[Si](C)(C)Oc1cc2oc(-c3cn4c(n3)sc(n4)OC)cc2c(OCc5cc(ccc5)OCc6ccccc6)c1	2867
+CC(C)(CC)c1cc(ccc1O)-c2cc(C=O)ccc2	186
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1C2CCCCC2)B(O)O	579
+c1c(COCOC)c(ccc1O)Br	186
+CC(C)(C)[Si](C)(C)Oc1c(C2CCCC2)cc(CO)cc1	98
+CC(C)(C)[Si](C)(C)Oc1c(cc(C(c2cc(OC)cc(OC)c2)=CC#N)cc1)OC	7662
+c1ccccc1COc2ccc(O)c(C)c2	186
+CC(C)(C)[Si](C)(C)Oc1ccc2c(nc(cn2)-c3ccc(cc3)N(C)C)c1	4249
+c1cc(ccc1C(=O)Nc2c(ccc(O)c2)NC(=O)c3cc(C#N)ccc3)C(C)C	186
+Clc1ccc(C(Nc2c(ccc(O)c2)Cl)C)c(c1)Cl	186
+CC(C)(C)[Si](C)(C)Oc1ccc(c(NC(=O)c2ccc(cc2)C(C)C)c1)NC(c3cc(C#N)ccc3)=O	50
+CC(C)(C)[Si](C)(C)Oc1c2ccccc2c(cc1)CCCCNC(=O)OCc3ccccc3	213
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c2n(C3CCCCC3)c4c(n2)cc(cc4)-c5[nH]nnn5	1711
+C[Si](C)(C)c1nn(-c2ccc(cc2)O[Si](C)(C)C(C)(C)C)c(C(=O)OCC)c1	1158
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C=2CCN(CC=2C(OC)=O)C(OC(C)(C)C)=O	7663
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2(C(c3ccc(cc3)OCOC)(CSc4c2ccc(OCOC)c4)C)O	2157
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C(Cc2ccccc2)=NO	189
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2C(c3ccc(cc3)OCOC)(CSc4cc(ccc24)OCOC)C	4250
+c1cc(ccc1O)C2C(CSc3cc(ccc23)OCOC)(C)c4ccc(cc4)OCOC	186
+CC(C)(C)OC(N1CC(=C(CC1)c2ccc(cc2)O)C(OC)=O)=O	186
+c1cc(ccc1O)CC(OC)C(O)=O	186
+CC(C)(C)OC(=O)N1CCN(CC1)CCc2ccc(cc2)O	186
+C1C(CN1c2ccc(cc2)O)OCCOC3CCCCO3	186
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)OCc2cc([N+]([O-])=O)cc(c2)[N+]([O-])=O	22
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)N	0
+CC(C)(C)[Si](C)(C)Oc1c(F)c(c(cc1)F)C=O	151
+CC(C)(C)[Si](C)(C)Oc1cc2c(n(C)nc2I)cc1	2158
+CC(C)(C)[Si](C)(C)Oc1cc2c(cc1)n(C3OCCCC3)nc2I	580
+CC(C)(C)[Si](C)(C)Oc1ccc2n(C3OCCCC3)nc(c2c1)C=O	178
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(CO)nn2C3OCCCC3	398
+CC(C)(C)[Si](C)(C)Oc1ccc2nc([nH]c2c1)Sc3ccc(C4c5c(NC6=C4C(CCC6)=O)c([nH]c5)C(=O)OCC)o3	2503
+CC(C)(C)[Si](C)(C)Oc1cc2c(n(CC(=O)OCC)cc2)cc1	256
+CC(C)(C)OC(=O)Cn1ccc2ccc(cc12)O	186
+c1cc(ccc1-c2cnc3c(cc(O)cc3)n2)[N+](=O)[O-]	186
+c1cc(ccc1N(C)C)-c2cnc3c(cc(O)cc3)n2	186
+CC(C)(C)OC(=O)Cn1c2cc(O)ccc2c(I)n1	186
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)[nH]c(CO)c2	629
+CC(C)(C)[Si](C)(C)Oc1cc2c(c([nH]n2)I)cc1	538
+C1CCCC(n2c3ccc(O)cc3c(C=O)n2)O1	186
+C=12C(CCCC=1Nc3c([nH]cc3C2c4ccc(Sc5[nH]c6ccc(cc6n5)O)o4)C(=O)OCC)=O	186
+C1CN(CCC1C(=O)OCC)Cc2ccc3c(n2)ccc(c3)O	186
+C1CC1c2cccc(O)c2	186
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)CNC(c2cc(c(O)c(Cl)c2)C)=O	14
+C1CCCN1Cc2cccc(O)c2F	186
+CC(C)(C)[Si](C)(C)Oc1cccc(c1)Nc2c3cc(ccc3ncc2)Br	179
+CC(C)(C)[Si](C)(C)Oc1cccc(Sc2cc(ncc2)Cl)c1	7664
+CC(C)(C)[Si](C)(C)Oc1cc(Sc2cc(Nc3scc(n3)C)ncc2)ccc1	4176
+C1CN(CCO1)c2nc(c3c(n(C(C)CC)c(n3)Br)n2)-c4cccc(c4)O	186
+CC(C)(C)[Si](C)(C)Oc1cccc2ccc(nc12)-c3nnc4cc(C)ccn34	2149
+CC(C)(C)[Si](C)(C)Oc1c2n(CC(OCC)=O)ccc2ccc1	256
+CC(C)(C)[Si](C)(C)Oc1cccc2ccc(nc12)-c3nnc4ccc(cn34)C5CC5	940
+c1c2nnc(n2ccc1)-c3nc4c(cc3)cccc4O	1710
+n1nc(n2ccc(C)cc12)-c3nc4c(cc3)cccc4O	1710
+C1CC1c2cn3c(nnc3cc2)-c4ccc5c(c(ccc5)O)n4	1710
+CC(C)(C)[Si](C)(C)Oc1c(COC(Oc2ccc(cc2)[N+](=O)[O-])=O)cccc1	405
+C1CN(CCO1)c2nc(-c3c4c([nH]cc4)ccc3F)nc5ccc(CN6CC(C6)C7CCOCC7)nc25	4251
+C1C(CN1Cc2ccc3c(c(N4CCOCC4)nc(n3)-c5c(ccc6[nH]ccc56)F)n2)N7CC(NCC7)=O	4251
+CC(C)(C)c1[nH]c2c(cc([N+]([O-])=O)cc2C(OC)=O)c1	342
+CC(C)(C)c1cc2cc(cc(CO)c2[nH]1)[N+]([O-])=O	295
+CC(C)(C)c1c(CCN2C(CCC2)c3ccc(cc3)C=CC(=O)OC)c4ccc([N+]([O-])=O)cc4[nH]1	61
+CC(C)(C)c1[nH]c2cc(ccc2c1CCN3C(CCC3)c4ccc(cc4)C=CC(=O)OC)NS(=O)(=O)C	80
+CC(C)(C)c1c(c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)[nH]1)C	7665
+CC(C)(C)c1n[nH]c(C(N)=O)c1[N+](=O)[O-]	4252
+CC(C)(C)c1ccccc1C2CCNCC2	1413
+CC(C)(C)c1c(c(cc(OCCC)c1C)C(C)(C)C)O	173
+CC(C)(C)c1c(ccc(C#Cc2ccc(cc2)C(OCC)=O)c1)C3(CC3)OCC	129
+CC(C)(C)c1c(cn(n1)CC(Nc2sc3CCCCc3c2C(NCCO)=O)=O)CNCC	7666
+CC(C)(C)c1cc2c(c(C(C)(C)C)c1OC(C)=O)CC(C)(CO)O2	7667
+CC(C)(C)c1[nH]c2cc([N+]([O-])=O)ccc2c1CC=O	571
+CC(C)(C)c1[nH]c2cc(ccc2c1CCN3C(CCC3)c4ccc(cc4)C=CC(=O)OC)N	0
+CC(C)(C)c1c(c(-c2nc3cc(-c4c(cccc4)C(F)(F)F)nc(OCCN(C)C)c3[nH]2)n(n1)C)Cl	61
+FC(F)(F)c1c(-c2cc(c(c(n2)OC)[N+](=O)[O-])NC(=O)c3n(nc(c3Cl)C(C)(C)C)C)cccc1	187
+FC(F)(F)c1ccccc1-c2cc(c(c(N3CCN(CC3)C)n2)[N+](=O)[O-])NC(=O)c4n(nc(C(C)(C)C)c4Cl)C	187
+CC(C)(C)c1nn(C)c(c1Cl)C(Nc2c(c(nc(c2)-c3ccccc3Cl)OC)[N+](=O)[O-])=O	187
+CC(C)(C)c1cc(nnc1Cl)NN	599
+CC(C)(C)c1c(N(C)C)c(Cl)cc(C=O)c1	146
+CC(C)(C)c1c2ncccn2nc1N	7668
+CC(C)(C)c1c(N2CCN(CC2)C(=O)CCC(O)=O)cccc1	4
+CC(C)(C)c1cc([N+]([O-])=O)ccc1N	106
+CC(C)(C)c1c(cc(CCC(CC2CCCCC2)=O)cc1)NC(=O)CC3c4ccccc4Oc5ccccc35	86
+CC(C)(C)c1c(cc(cc1)CCC=O)NC(=O)CC2c3ccccc3Oc4ccccc24	24
+CC(C)(C)c1cc(cc(N)c1O)C(C)=O	0
+CC(C)(C)c1cc(c([N+]([O-])=O)cc1OCc2ccccc2)Br	22
+CC(C)(C)c1c(cc2CC3(CCCCCC3)Oc2c1)O	414
+CC(C)(C)c1c(c(cc(c1)C(O)=O)I)O	1202
+CC(C)(C)c1c(O)c([N+]([O-])=O)cc(c1)C(C)=O	77
+CC(C)(C)c1c(ccc(CC(N(C(=O)C(C(C)C)N(C)C(OCc2ccccc2)=O)C)C(O)=O)c1)O	4
+CC(C)(C)c1cc(O)c(cc1OC(C(C)(C)C)=O)CC=C	423
+CC(C)(C)c1cc(cc(c1OC(=O)C)C)O	173
+CC(C)(C)c1cc(cc(C=Cc2c(C(Cl)=O)cc(cc2)NS(=O)(=O)C)c1OC)N3C(=O)NC(C=C3)=O	82
+CC(C)(C)c1c(c(N)cc(Br)c1)OC	0
+CC(C)(C)c1c(cc(c(-c2c(nccc2)OC)c1)CSC)OC	305
+CC(C)(C)c1c(OC)cc2c(C(=O)C(C2)CC(C)C)c1	7669
+CC(C)(C)c1cccc(C(=C)c2cccc(c2)-c3ccccc3OC)c1OCc4ccccc4	2855
+CC(C)(C)c1cccc(c1OCc2ccccc2)C(c3ccccc3)c4cc(ccc4)-c5c(cccc5)OC	4253
+CC(C)(C)c1c(Oc2ccc(-c3cc(C(O)=O)c(cc3)Cl)cc2NC(Nc4ccc(cc4)C)=O)cccc1	11
+CC(C)(C)c1c(cc(N)c(N)c1)SC#N	0
+CC(C)(C)c1c(Cl)c(-c2nc3c([nH]2)cc(nc3OCC=O)-c4c(C(F)(F)F)cccc4)n(n1)C	24
+CC(C)(C)c1c(c(-c2nc3c([nH]2)c(nc(c3)-c4c(cccc4)C(F)(F)F)OCCO)n(n1)C)Cl	35
+CC(C)(C)c1cc2C(=O)C(Cc2c(-c3ccccc3)c1OCC(C)C)C	11
+CC(C)(C)c1cc(c(C)c(C(C)(C)C)c1OC(=O)C)OC2OCCCC2	385
+CC(C)(C)c1cccc(C(C)c2cccc(-c3c(OC)cccc3)c2)c1O	16
+CC(C)(C)c1c(OCc2ccccc2)c(C(c3ccccc3)(c4cccc(c4)-c5c(cccc5)OC)O)ccc1	7670
+CC(C)(C)c1cc(cc(C=Cc2c(cc(cc2)NS(=O)(=O)C)COC)c1OC)N3C(=O)NC(C=C3)=O	2868
+CC(C)(C)c1c(c(N)c(c(C=O)n1)Cl)F	4254
+CC(C)(C)c1c(c(N2CCN(CC2)CC(=O)OCC)cc(Br)c1)OC	303
+CC(C)(C)c1cc(C(=O)N2c3ccccc3SC2)cc(C#N)c1OC	448
+CC(C)(C)c1cc(cc(c1OC)C#N)C(=O)O	1
+CC(C)(C)c1cc(cc(I)c1O)C(OC)=O	128
+CC(C)(C)c1c(N)cc(C#N)cc1	0
+CC(C)(C)c1c(cc(C#N)cc1)[N+]([O-])=O	274
+CC(C)(C)c1c(cc(O)c(Cl)c1)N	0
+CC(C)(C)c1c(cc(N)cc1)OC	0
+CC(C)(C)c1c(cc(c(c1)-c2cccnc2O)CSC)OC	104
+CC(C)(C)c1c(cc(c(c1)OS(=O)(=O)N(C)C)C)S	1180
+CC(C)(C)c1c(O)cc([N+](=O)[O-])c(Br)c1	4255
+CC(C)(C)c1c(SS(=O)(=O)c2ccc(cc2)C)cc(c(OS(=O)(=O)N(C)C)c1)C	7671
+CC(C)(C)OC(Oc1ccc(C(C)(C)C)c(OCc2ccccc2)c1)=O	22
+CC(C)(C)c1ccc(cc1O)N	0
+CC(C)(C)c1c(cc([N+](=O)[O-])cc1)OC	65
+CC(C)(C)c1c(ccc(c1)C#Cc2ccc(cc2)C(=O)O)C3(CC3)OCC	6
+CC(C)(C)c1c(O)ccc(c1)CC(N(C)C(C(C(C)C)N(C)C(OCc2ccccc2)=O)=O)C(=O)OC	478
+CC(C)(C)c1cc([N+](=O)[O-])cc(c1O)I	694
+CC(C)(C)c1c(N2CCCCC2)ccc(C=O)c1	146
+CC(C)(C)c1cc(C(C#Cc2ccc(cc2)C(=O)O)O)ccc1N3CCCC3	121
+CC(C)(C)c1cc(C(C#Cc2ccc(cc2)C(=O)O)O)ccc1N3CCCCC3	121
+CC(C)(C)c1c(cccc1)NC(=O)C	26
+CC(C)(C)c1ccc(cc1N)[N+]([O-])=O	77
+CC(C)(C)c1c(cccc1)N2CCN(CC2)C(=O)NCC(=O)O	3
+CC(C)(C)c1c(NC(=O)C)ccc(c1)[N+]([O-])=O	77
+CC(C)(C)c1ccccc1OCCNC	352
+CC(C)(C)c1ccccc1Oc2c(N)cccn2	13
+CC(C)(C)c1ccccc1Oc2c(NC(=O)Nc3ccc(cc3)C)cc(cc2)-c4c(cccc4)C(=O)O	124
+CC(C)(C)c1cc(cc2C(C)(C)COc12)N	1599
+CC(C)(C)c1c2ncccn2nc1NC(Cc3ccc(cc3)Cl)=O	142
+CC(C)(C)c1c(nn2c1nccc2)NC(=O)CCc3ccccc3	195
+CC(C)(C)c1cc(-c2cccc(C(C)(C)C)c2)c(NC=O)cc1	753
+CC(C)(C)c1cc(c(O)c(Br)c1)C=O	502
+CC1(C)OB(OC1(C)C)c2ccc(O)c(c2)C(C)(C)C	17
+CC(C)(C)c1cc(cc(c1O)[N+](=O)[O-])Br	77
+CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=N)NO	181
+CC(C)(C)c1[nH]nc(c1)C(=O)NC2CCCN(c3nc(Nc4ccc(cc4)N(CC)CC)c(C(=O)N)cc3)C2	81
+CC(C)(C)c1cc(cc(OC(COC)COC)c1)C(OC)=O	624
+CC(C)(C)c1cc(OCCOC)cc(c1)C(O)=O	1
+CC(C)(C)c1cc(Cl)nc(C)c1	174
+CC(C)(C)c1cc(c(c(C)c1O)CC#N)C	177
+CC(C)(C)c1cc(nc(c1)Cl)CN(C)C	596
+CC(C)(C)c1cc(c(OC)c(CO)c1)NC(=O)OCC(Cl)(Cl)Cl	90
+CC(C)(C)c1cc(c(N)c(Cl)c1)C	4256
+CC(C)(C)c1nn2cc(Br)cnc2c1	7672
+CC(C)(C)c1cc([N+]([O-])=O)c(OC)c(SC)c1	2869
+CC(C)(C)c1nn(-c2ccc(cc2)[N+](=O)[O-])c(c1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	7673
+CC(C)(C)c1cc(N)n(n1)-c2cccc(O)c2	5
+CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c3ccc(cc3)C)n1	278
+CC(C)(C)c1cc(n(n1)-c2ccc(cc2)C(OC)=O)NC(=O)Oc3ccccc3	278
+CC(C)(C)c1cc(N)n(n1)-c2cccc(OCCN(C)C)c2	20
+CC(C)(C)c1nn(c(NC(OCC(Cl)(Cl)Cl)=O)c1)-c2cccc(OCCN(C)C)c2	278
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(=O)Nc3cc(on3)C(C)(C)C	142
+CC(C)(C)c1cc(NC(Nc2cccc(O)c2)=O)no1	7674
+CC(C)(C)c1nn(c(NC(=O)Nc2c(F)cc(Oc3cc(ncc3)C)cc2)c1)-c4ccc(cc4)CO	98
+CC(C)(C)c1cc(n(-c2ccc(cc2)CCO)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	21
+CC(C)(C)c1cc(NC(=O)NC2c3cc(F)ccc3C(Oc4ccc5nnc(C(C)C)n5c4)CC2)n(C)n1	1962
+CC(C)(C)c1ccc([N+](=O)[O-])c(N)c1	630
+CC(C)(C)c1cc(c(s1)CN)NC(=O)Nc2ccc(cc2)C	7675
+CC(C)(C)c1cc(NC(Nc2cc(Oc3c4cc(OC)c(cc4ncn3)OCC)ccc2)=O)no1	185
+CC(C)(C)c1cc(NC(Nc2cccc(Oc3c4cc(c(F)cc4ncn3)F)c2)=O)no1	185
+CC(C)(C)c1cc(cc(N)c1)C#N	78
+CC(C)(C)c1c(c(c(C(C(C)C)O)c(O)c1)C)OC(=O)C	4257
+CC(C)(C)c1c(c(C(C)(C)C)cc(OC)c1CC=C)OC(=O)C	65
+CC(C)(C)c1cc2OC(Cc2cc1OC(=O)C(C)(C)C)C	4258
+CC(C)(C)c1cc(ccc1Cl)OC(Cl)=O	7676
+CC(C)(C)c1cc(OC(C)C)cc(c1)-c2n(nc(-c3ccc(cc3)C(=O)O)c2)-c4ccc(cc4)C(=O)N	1
+CC(C)(C)c1cc(c(cc1)N)OC	0
+CC(C)(C)c1cc(cc(OCCOC)c1)C(C)=O	1024
+CC(C)(C)c1cc([N+]([O-])=O)c(OC)c(c1)Cl	65
+CC(C)(C)c1cc(N)c(OC)c([N+]([O-])=O)c1	0
+CC(C)(C)c1cc(c(C(O)=O)cc1)N	0
+CC(C)(C)c1cc(c(c(c1)S(C)=O)OC)[N+]([O-])=O	2571
+CC(C)(C)c1cc(N)c(c(c1)Cl)OC	0
+CC(C)(C)c1cc(c(c([N+]([O-])=O)c1)OC)CO	41
+CC(C)(C)c1cc(C)[n+]([O-])c(Cl)c1	375
+CC(C)(C)c1cc(c(cc1)CO)Cl	49
+CC(C)(C)c1cc(c(c(C(C)(C)C)c1OC(=O)C)C)O	805
+CC(C)(C)c1c(cc(c(OS(=O)(=O)N(C)C)c1)C)SC#N	4259
+CC(C)(C)c1c(O)c(c(c(C)c1)CC(=O)Cl)C	130
+CC(C)(C)c1ccc(c(C(C)(C)C)c1)CCCl	221
+CC(C)(C)c1cc(C)cc(c1)Cl	480
+CC(C)(C)c1ccc(c([N+]([O-])=O)c1)NCc2ccccc2	608
+CC(C)(C)c1cc(c(O)c(C=O)c1)-c2nccc(n2)C(F)(F)F	7677
+CC(C)(C)c1c(cc(O)c(c1)Cl)[N+]([O-])=O	4255
+CC(C)(C)c1cc(NC(NC2Cc3ccccc3C2)=O)c(OC)c(c1)CO	1962
+CC(C)(C)c1ccc(c(CO)c1)OCc2ccccc2	41
+CC(C)(C)c1c(C)c(OCCC)cc(C(C)(C)C)c1OC(=O)C	8
+CC(C)(C)c1cc(c(CC(=O)O)c(C)c1O)C	1588
+CC(C)(C)c1cc(c(OC)c(N)c1)S(=O)(=O)NC(C)(C)C	0
+CC(C)(C)c1cc(CO)c(OC)c(N)c1	0
+CC(C)(C)c1cc(c(c(N)c1)OC)S(C)=O	0
+CC(C)(C)c1ccc-2c(OP(Oc3c(OC)cc(cc-23)C)OC4CC(C)CCC4C(C)C)c1	7678
+CC(C)(C)c1ccc(C=O)c(Cl)c1	39
+CC(C)(C)c1cc(OC)c(cc1)[N+]([O-])=O	65
+CC(C)(C)c1c(O)cc2C(C3(CCCCCC3)Oc2c1)O	7679
+CC1(C)OB(OC1(C)C)c2cc(cc(C(C)(C)C)c2)O	17
+CC(C)(C)c1cc(cc(O)c1)C(O)=O	2599
+CC(C)(C)c1cc(cc(c1)C#N)C(O)=O	1
+CC(C)(C)c1cc(cc(C(=O)OC)c1)C#N	274
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(n(C)c2CC3CCCCC3)C(=O)OC	819
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(C(=O)N)n(C)c2CC3CCCCC3	247
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(n(C)c2CC3CCCCC3)C(=O)O	1
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)CN2CCOc3ccc(cc23)C=O	507
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)N2CCN(CC2)C(=O)c3sc(C)cc3	867
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C2SCC(=O)N2CCCO	21
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C=Cc2cc(C)c(c(C)c2)-c3c(cncc3C)C	914
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)NC(c2ccc(o2)-c3ccc(cc3)[N+](=O)[O-])=O	768
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)N(C)c2ccc(cc2)C(=O)O	4260
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)N	0
+CC(C)(C)c1cc(cc(C(C)(C)C)c1OC(C)=O)O	5
+CC(C)(C)c1cc(O)c(c(C(C)(C)C)c1OC(=O)C)CC=C	423
+CC(C)(C)c1c(c(C=Cc2ccc(cc2CO)NS(=O)(=O)C)cc(c1)N3C(=O)NC(C=C3)=O)OC	1146
+CC(C)(C)c1cc(cc(n1)Cl)C(=O)O	1
+CC(C)(C)c1c(OCc2ccccc2)c(cc(c1)C(OC)=O)I	22
+CC(C)(C)c1cc(C(=O)OC)cc(O)c1	47
+CC(C)(C)c1cc(C(C#Cc2ccc(cc2)C(=O)O)O)cc(Cl)c1N(C)C	121
+CC(C)(C)c1c(OC)c(cc(c1)Br)[N+](=O)[O-]	65
+CC(C)(C)c1cc(O)c(C=O)c(c1OC(=O)C)C	502
+CC(C)(C)c1c(c(cc(c1)C(=O)Cl)C#N)OC	82
+CC(C)(C)c1nc(cc(c1)C(=O)Nc2ccc(c(-n3ccn4c3cc(-c5cccnc5)n4)c2)C)Cl	67
+CC(C)(C)c1c2OCC(C)(C)c2cc(NC(C)C)c1	231
+CC(C)(C)c1cc(cc2c1OCC2(C)C)-c3noc(C)n3	4261
+CC(C)(C)c1cccc(c1)B(OC)OC	2159
+CC(C)(C)c1cccc(C2=CC(=O)N(N2)c3nc4ccccc4s3)c1	1916
+CC(C)(C)c1cc(O)ccc1Cl	662
+CC(C)(C)c1cc(c(cc1)[N+](=O)[O-])O	31
+CC(C)(C)c1cc(c(cc1)-c2cc(cc(OC)c2O)C)O	7680
+CC(C)(C)c1cccc(OCCCOc2ccc(cc2)C(C#CC)CC(=O)OC)c1	126
+C[Si](C)(C)C#Cc1cc(C(C)(C)C)c(cc1)C2(CC2)OCC	2823
+CC(C)(C)c1c(ccc(OC(=O)N(C)c2ccc(cc2)F)c1)Cl	1199
+CC(C)(C)c1c(ccc(C=O)c1)N2CCCC2	146
+CC(C)(C)c1cc(CC(N(C(C(C(C)C)NC)=O)C)C(=O)N)ccc1O	679
+CC(C)(C)c1c(cc(c(c1)Br)[N+]([O-])=O)OC(OC)=O	77
+CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)Oc3ccncc3)n(-c4ccc(cc4)CC(=O)O)n1	3
+CC(C)(C)c1cc(n(n1)-c2ccccc2)NC(=O)Nc3cc(Oc4c5cc(OC)c(cc5ncn4)OCCOC)ccc3	446
+CC(C)(C)c1cc(n(-c2nc(N(CCN(C)C)C)ncc2)n1)N	117
+CC(C)(C)c1nn(c(NC(Oc2ccccc2)=O)c1)-c3ccnc(N(CCN(C)C)C)n3	278
+CC1(C)CC(CC(C)(C)N1C)Oc2ccc(C(Nc3ccc(cc3)NC(Nc4n(nc(c4)C(C)(C)C)C)=O)=O)nc2	446
+CC(C)(C)c1cc(NC(=O)Nc2c(F)cc(Oc3cc(ncc3)C)cc2)n(-c4ccc(cc4)C(=O)OC)n1	446
+CC(C)(C)c1cc(n(C)n1)NC(=O)Oc2ccccc2	278
+CC(C)(C)c1cc(NC(=O)Nc2cc(ccc2)C#Cc3cnc(nc3)Cl)n(C)n1	7681
+CC(C)(C)c1cc([n+](cc1)[O-])C	341
+CC(C)(C)c1n(C)nc(NC(C(P(OC)(OC)=O)OC)=O)c1	195
+CC(C)(C)c1c(nn2c(-c3c(c(F)ccc3F)F)nnc2c1)Cl	7682
+CC(C)(C)c1cc(NC(=O)Nc2cc(ccc2)Sc3ncnc4cc(c(OC)cc34)OCCOC)no1	1124
+CC(C)(C)c1c(c(c2c(C=C(C2)C)c1)-c3ccccc3)OCC(C)C	4262
+CC(C)(C)c1cc2C=NN(Cc3c(CO)cc(-c4ccnc(O)c4)cc3)C(=O)c2c(F)c1	104
+CC(C)(C)c1cc(c2C(N(N=Cc2c1)c3nccc(C4=CN(C)C(C(Nc5cc6n(CCOC6)n5)=C4)=O)c3CO)=O)F	269
+CC(C)(C)c1cc(c2C(N(N=Cc2c1)c3c(CO)c(ccn3)C4=CN(C)C(=O)C(Nc5ncc(s5)C)=C4)=O)F	269
+CC(C)(C)c1c(cc2c(c1)OC(C)C2)O	7683
+CC(C)(C)c1c(c(CC(C)C)c2c(OC3(CCCCCC3)C2)c1)O	2616
+CC(C)(C)c1cc2OC3(CCCCCC3)Cc2c(c1O)CC(=C)C	1625
+CC(C)(C)c1ccc2C(CCOc2c1)=NOC	189
+CC(C)(C)c1ccc2N(CC3(CCN(CC3)C(=O)OCc4ccccc4)c2c1)C(=O)c5c(F)cccc5F	448
+CC(C)(C)c1[nH]c2c(cc([N+](=O)[O-])cc2C(=O)O)c1	2160
+CC(C)(C)c1c2c(cc(c1O)C(C)(C)C)OC(C)(CO)C2	173
+CC(C)(C)c1cc2C=NN(c3c(CO)c(Cl)ccn3)C(c2c(F)c1)=O	269
+CC(C)(C)c1cc2C=NN(c3c(c(C4=CN(C(C(Nc5cc6n(CCOC6)n5)=C4)=O)C)ccn3)C=O)C(=O)c2c(F)c1	2870
+CC(C)(C)c1cc2C=NN(c3nccc(c3C=O)C4=CN(C(C(Nc5ncc(s5)C)=C4)=O)C)C(=O)c2c(F)c1	2870
+CC(C)(C)c1cc2c(c(F)c1)C(N(Cc3cc(c(-c4ccnc(O)c4)cc3F)CO)N=C2)=O	104
+CC(C)(C)c1cc2C=NN(Cc3ccc(cc3CO)-c4cc(OC)ncc4)C(=O)c2c(F)c1	498
+CC(C)(C)c1cc2c(c(F)c1)C(N(Cc3cc(c(-c4cc(ncc4)OC)cc3F)CO)N=C2)=O	498
+CC(C)(C)c1cc2c(c(F)c1)C(=O)N(N=C2)c3c(C=O)c(Cl)ccn3	7684
+CC(C)(C)c1cc2c(c(F)c1)C(N(Cc3ccc(cc3CO)Br)N=C2)=O	3288
+CC(C)(C)c1cc2nc(oc2cc1)N3CCN(CCC3)C(N4CCS(CC4)(=O)=O)=O	776
+CC(C)(C)c1cc2cc(ncc2n1CCO)NC(C3(CC3)c4ccc5OC(F)(F)Oc5c4)=O	142
+CC(C)(C)c1cc2cc(ncc2[nH]1)N	664
+CC(C)(C)c1[nH]c2c(cc(cc2CO)N)c1	0
+CC(C)(C)c1cc2c(cc(C(=O)O)cc2)cc1	1
+CC(C)(C)c1cc2ccc3c(-c4ccccc4)ccc5ccc(c1)c2c35	11
+CC(C)(C)c1cc2ccc3ccc(-c4ccc(cc4)Cl)c5ccc(c1)c2c35	11
+CC(C)(C)c1nn2c(nc(C)c(CC(OC)=O)c2Cl)c1	4263
+CC(C)(C)c1cc2nc(C)c(C(C(=O)O)CCC)c(-c3cc4c(cc3)cccc4)n2n1	4
+CC(C)(C)c1cc(c(C(O)=O)cc1)Cl	1
+CC(C)(C)c1c(cc(CO)cc1)[N+]([O-])=O	49
+CC(C)(C)c1c(cc(C(=O)N)cc1)[N+]([O-])=O	169
+CC(C)(C)c1cc(c(CC(=O)C(OCC)=O)cc1)[N+](=O)[O-]	2161
+CC(C)(C)c1cc([N+](=O)[O-])c(cc1)C(O)=O	820
+CC(C)(C)c1sc(C2C(C2)C(=O)O)cc1	3
+CC(C)(C)c1oc(C2C(C(N3CC(C)OC(C3)C)=O)C2)cc1	58
+CC(C)(C)c1ccc(C2C(C(=O)OCC)C2)s1	4264
+CC(C)(C)c1ccc(c(c1)OC)CCN(C)C	15
+CC(C)(C)c1ccc(c(OC)c1)CC(=O)Cl	4265
+CC(C)(C)c1c(SC#N)cc(c(c1)N)[N+]([O-])=O	2871
+CC(C)(C)c1cc(SC(F)(F)F)c(N)cc1	0
+CC(C)(C)c1cc(-c2cccc(C(C)(C)C)c2)c(cc1)N	11
+CC(C)(C)c1cc(c(OCc2ccccc2)cc1)CCl	229
+CC(C)(C)c1cc(c(OC(OC)=O)cc1[N+](=O)[O-])Cl	77
+CC(C)(C)c1cc2NC(Oc2cc1)=S	2872
+CC(C)(C)c1ccc2oc(-c3cc(C(=O)OC)cc([N+](=O)[O-])c3)nc2c1	2453
+CC(C)(C)c1ccc(CC(=O)N(C)C)c(c1)OC	58
+CC(C)(C)c1ccc(c(c1)Oc2scc(C(=O)Nc3c(nc(nc3OC)NCCC(=O)OCC)OC)n2)C	4266
+CC(C)(C)c1ccc(c(c1)Oc2scc(C(=O)Nc3c(OC)nc(nc3OC)NCCS(=O)(=O)NC(C)C)n2)C	4266
+CC(C)(C)c1cc(S(=O)(=O)Cl)c(c([N+](=O)[O-])c1)OC	77
+CC(C)(C)c1cc(c(N)cc1)[N+]([O-])=O	106
+CC(C)(C)c1cc(c(OCc2ccccc2)cc1)C=O	139
+CC(C)(C)c1cc(c(CCN(C)C)cc1)O	5
+CC(C)(C)c1ccc(c(c1)Oc2scc(C(=O)Nc3c(OC)nc(nc3OC)NCCC(=O)O)n2)C	3
+CC(C)(C)c1ccc(cc1)-c2c(C(Nc3cc4ncc(cc4cc3)C(O)=O)=O)cccc2	6
+CC(C)(C)c1ccc(cc1)-c2c(c(cs2)CO)OCOC	4267
+CC(C)(C)c1ccc(cc1)-c2scc(C=O)c2OCOC	2873
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(CC(C)C)c3ccc(cc3)C(OC)=O)C	20
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(CC(C)C)c3ccc(cc3)C(=O)O)C	1
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(C)c3sc(cc3)C(O)=O)C	6
+CC(C)(C)c1ccc(cc1)-c2cc(cc3C(C)(C)CCC(C)(C)c23)C(=O)C=Cc4ccc(cc4)C(=O)O	307
+CC(C)(C)c1ccc(cc1)-c2cc(cc(C(O)=O)c2)Nc3c4ccc(cc4ncc3C(=O)N)-c5c(nc(nc5)OC)OC	179
+CC(C)(C)c1ccc(cc1)-c2cccc(C3C(C)(C)Cc4cc(Cl)cc(C(NS(=O)(=O)C5CC5)=O)c4N3)c2	258
+CC(C)(C)c1ccc(cc1)-c2cccc(C3C(C)(C)Cc4c(c(cc(Cl)c4)C(O)=O)N3)c2	1
+CC(C)(C)c1ccc(cc1)-c2n(C)nc(C(=NNC(c3ccc(c(c3)O)C(=O)O)=O)C)c2O	1
+CC(C)(C)c1ccc(cc1)-c2n(C)nc(C(=NNC(c3ccc(C(=O)OC)c(c3)O)=O)C)c2O	2398
+CC(C)(C)c1ccc(cc1)-c2scc(C(=O)C)c2OCOC	7685
+CC(C)(C)c1ccc(cc1)-c2scc(C(C)O)c2OCOC	7686
+CC(C)(C)c1ccc(cc1)-c2cccc(C3Nc4c(CC3(C)C)cc(cc4C(OC)=O)Cl)c2	11
+CC(C)(C)c1ccc(cc1)-c2c3c(cc(C(C)=O)c2)C(C)(C)CCC3(C)C	368
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)O)C	11
+CC(C)(C)c1ccc(cc1)-c2cc(cc(N)c2)C(=O)O	11
+CC(C)(C)c1ccc(cc1)-c2c(C(Nc3ccc4c(c3)ncc(c4)C(OCC)=O)=O)cccc2	11
+CC(C)(C)c1ccc(C)c(c1)[N+]([O-])=O	31
+CC(C)(C)c1ccc(cc1)-c2n(C)nc(C(=O)C)c2O	4268
+CC(C)(C)c1ccc2c(c1)CCC2=O	7687
+CC1(C)OB(OC1(C)C)c2cccc(c2C)NC(=O)c3ccc(cc3)C(C)(C)C	50
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(ccc2C(=O)OC)[N+]([O-])=O	50
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(-c3nc(c4n(c3)ccn4)Nc5cc6[nH]cnc6cc5)ccc2	50
+CC(C)(C)c1ccc(cc1)C(=O)Nc2c(cccc2)C(OC)=O	50
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(ccc2)-c3cn4c(ncc4)c(Nc5ccccc5)n3	50
+CC(C)(C)c1ccc(cc1)C2=Nc3c(cccc3)C(=O)O2	4269
+CC(C)(C)c1ccc(cc1)C(=O)Nc2c(cccc2)C(O)=O	1
+CC(C)(C)c1ccc(cc1)C(=O)Nc2c(C(OC)=O)ccc(N)c2	0
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2C)C3=CN(C(=O)C(=C3)Nc4ccc(cc4)C(=O)O)C	6
+CC(C)(C)c1ccc(cc1)C(CCCN2CCN(CC2)c3cc(F)c(cc3F)O)=O	5
+CC(C)(C)c1ccc(cc1)C2=Cn3c(cc(C(=O)OCC)n3)C(=O)N2	4270
+CC(C)(C)c1ccc(cc1)C(Nc2c(c(ccc2)C=3N=C(C(N(C=3)C)=O)Nc4ccc(cc4)CCOS(=O)(=O)C)C)=O	7
+CC(C)(C)c1ccc(cc1)C2=C(C(=O)N(c3ccc(cc3)C#N)N2C)C(=O)Cl	7688
+CC(C)(C)c1ccc(cc1)C=2NC(=O)c3ccnn3C=2	7689
+CC(C)(C)c1ccc(cc1)C2=Cn3c(cc(C(=O)O)n3)C(=O)N2	6
+CC(C)(C)c1ccc(cc1)C2=C(C(=O)O)C(N(N2C)c3ccc(cc3)C#N)=O	108
+CC(C)(C)c1ccc(cc1)CC(CN2CCCCC2)C	1028
+CC(C)(C)c1ccc(cc1)C=C(CO)C	2874
+CC(C)(C)c1ccc(cc1)C=CC(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O	3
+CC(C)(C)c1ccc(cc1)C=CC(c2c(cc(OCC=C(C)C)cc2)OCC(OCC)=O)=O	52
+CC(C)(C)c1ccc(cc1)C=CC(c2ccc(cc2O)OCC=C(C)C)=O	307
+CC(C)(C)c1ccc(cc1)C=C(C=O)C	1103
+CC(C)(C)c1ccc(cc1)CNCCN(CC)c2cc(C)ccc2	42
+CC(C)(C)c1ccc(cc1)C2C(C(=O)c3ccc(cc3)OCC(=O)O)=C(O)C(=O)N2c4nnc(C)s4	7690
+CC(C)(C)c1ccc(cc1)COc2ccccc2C=CC(CCc3ccc(cc3)C#N)CCCCC(OCC)=O	22
+CC(C)(C)c1ccc(cc1)CN2C(N(C(=N2)CC3CC3c4ccc(cc4)Br)CC)=O	1712
+CC(C)(C)c1ccc(cc1)COc2c(C=CC(Cc3ccc(cc3)C(=O)OC)CCCCC#N)cccc2	22
+CC(C)(C)c1ccc(cc1)CC(c2ccc(cc2)Cl)=O	7691
+CC(C)(C)C1CCC(CC1)CC(CN2CCCCC2)C	7692
+CC(C)(C)c1ccc(cc1)CC(c2ccc(cc2)Cl)=NN	1713
+CC(C)(C)c1ccc(cc1)COc2ccc(cc2C(CC)=O)[N+](=O)[O-]	139
+CC(C)(C)c1ccc(cc1)CNC(=O)C(C)c2cc(N)c(cc2)N	9
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(C)C(CCCc3ccc(OC(C)(C)C(OC)=O)c(c3)C)C2	27
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(C)C(CCCc3cc(C)c(OC(C)(C)C(=O)O)cc3)C2	3
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(Cc3ccc(cc3)N)CCC2	0
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(CCC2)Cc3ccc(cc3)NS(=O)(=O)C	80
+CC(C)(C)c1ccc(cc1)CN2C(=O)C(C(NCC(=O)O)=O)C(N(C3CCCCC3)C2=O)=O	3
+CC(C)(C)c1ccc(cc1)CN2c3ccccc3N(Cc4ccc(cc4)[N+]([O-])=O)C2=O	1939
+CC(C)(C)c1ccc(cc1)CN2c3c(N(Cc4ccc(cc4)NS(=O)(=O)C)C2=O)cccc3	80
+CC(C)(C)c1ccc(cc1)CN2c3ccccc3N(Cc4ccc(cc4)N)C2=O	0
+CC(C)(C)c1ccc(cc1)CNC(C(C)c2cc3[nH]nnc3cc2)=O	1714
+CC(C)(C)c1ccc(cc1)CNC(=O)c2cc3cc(OCc4ccccc4)cnc3nc2C	7693
+CC(C)(C)c1ccc(cc1)CNC(=O)c2cc3c(ncc(O)c3)nc2C	321
+CC(C)(C)c1ccc(cc1)CNC(=O)c2cc3c(nc2C)ncc(c3)I	7694
+CC(C)(C)c1ccc(cc1)CN(C(=O)c2c3[nH]ccc3cc(Cl)c2)CCN(CC)c4cccc(C)c4	211
+CC(C)(C)c1ccc(cc1)COc2cccc(c2)C(=O)Nc3c(S(=O)(=O)N)cccc3	67
+CC(C)(C)c1ccc(cc1)COc2c(C(CC)=O)cc(NC(=O)Nc3cc(OC)ccc3)cc2	124
+CC(C)(C)c1ccc(cc1)COc2ccc(N)cc2C(CC)=O	0
+CC(C)(C)c1ccc(cc1)COc2ccccc2C=CC(CCc3ccc(cc3)-c4[nH]nnn4)CCCCC(OCC)=O	2162
+CC(C)(C)N1N=CC(SCc2ccc(cc2)C(C)(C)C)=C(COS(=O)(=O)c3ccc(cc3)C)C1=O	7695
+CC(C)(C)c1ccc(cc1)Cn2c(cc3c2ccc(OC)c3)COC(C)=O	204
+CC(C)(C)c1ccc(cc1)Cn2c(CO)cc3cc(ccc23)OC	194
+CC(C)(C)c1ccc(cc1)Nc2ncnc3c2CCN(CC3)c4c(C(F)(F)F)cccn4	73
+CC(C)(C)c1ccc(cc1)Nc2nc(N)nc(c2)Cl	73
+CC(C)(C)c1ccc(cc1)NC(=O)c2cccc(-c3nc(Nc4ccc(cc4)C(N5CCOCC5)=O)c6n(c3)ccn6)c2	67
+CC(C)(C)c1ccc(cc1)N2CCC(O)=C(C2=O)C#N	4223
+CC(C)(C)c1ccc(cc1)N2CCC(OC)=C(C#N)C2=O	7696
+CC(C)(C)c1ccc(cc1)NC(=O)NC(CC)CC(OC)=O	282
+CC(C)(C)c1ccc(cc1)NC(=O)NCCC(=O)OCC	282
+CC(C)(C)c1ccc(c([N+]([O-])=O)c1)NC(C)=O	31
+CC(C)(C)c1ccc(cc1)NC(=O)NC(CCO)CC	95
+CC(C)(C)c1ccc(cc1)NC(NC(CC)CC=O)=O	24
+CC(C)(C)c1ccc(cc1)NC(NCCC(O)=O)=O	3
+CC(C)(C)c1ccc(cc1)NC(=O)NCCCOS(=O)(=O)C	7
+CC(C)(C)c1ccc(cc1)NC(=O)NC(CC)CCN(CC2C3OC(C)(C)OC3C(n4cnc5c(N)ncnc45)O2)C	61
+CC(C)(C)c1ccc(cc1)NC(NCCC(=O)N(CC)CC2C(C(O)C(n3cnc4c3ncnc4N)O2)O)=O	265
+CC(C)(C)c1ccc(cc1)NC(NCCC(N(CC2OC(C3C2OC(C)(C)O3)n4c5ncnc(c5nc4)N)CC)=O)=O	10
+CC(C)(C)c1ccc(cc1)N(CCC(OCC)=O)C(=O)CC#N	429
+CC(C)(C)c1ccc(cc1)NCc2cc(c(cc2)NC(=O)OCC)N	0
+CC(C)(C)c1ccc(cc1)Nc2c3CCN(c4ncccc4Cl)Cc3nc(CN5CCOCC5)n2	43
+CC(C)(C)c1ccc(cc1)Nc2c3CCNCc3nc(n2)CN4CCOCC4	25
+CC(C)(C)c1ccc(cc1)Nc2nc(N)nc(c2)OCc3ccccc3C(F)(F)F	145
+CC(C)(C)c1ccc(O)c(Cl)c1	7697
+CC(C)(C)c1ccc(cc1)Oc2c3ccccc3n(Cc4cc(OCCOC)cc(c4)OCCOC)c2C(OCC)=O	962
+CC(C)(C)c1ccc(cc1)Oc2c(n(c3ccccc23)Cc4cc(OCCOC)cc(c4)OCCOC)C(=O)O	6
+CC(C)(C)c1ccc(cc1)S(=O)(=O)NCC(C)(C)c2c3ccccc3[nH]c2	71
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(c3cnccc3)=O)Cl	69
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc3ncccc3c2	69
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C)C(C)C=2N(c3ccc(cc3)OC)C(c4ccccc4N=2)=O	92
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2nc(Cl)nc(c2Oc3c(cccc3)OC)Cl	570
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C)C(C=2N(c3ccc(cc3)O)C(c4ccccc4N=2)=O)C	5
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C)C(C=2N(c3ccc(cc3)OCc4ccccc4)C(c5ccccc5N=2)=O)C	20
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(c2cc3c(cc2)nccc3)CC(O)=O	32
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(c2cc3c(nccc3)cc2)CC(N(Cc4nc(ccc4)C)CC)=O	10
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CC(N(Cc2nc(ccc2)C)CC)=O)c3ccc(N)nc3	10
+CC(C)(C)c1ccc(cc1)C(c2cc(-c3cc(ccc3)S(=O)(=O)NC4CC4)cnc2N)=O	7698
+CC(C)(C)c1c(cc(cc1)[N+](=O)[O-])O	4271
+CC(C)(C)c1c(cc(cc1)[N+](=O)[O-])O	606
+CC(C)(C)c1c(NC(=O)CC2c3ccccc3Oc4ccccc24)cc(cc1)CCCO	44
+CC(C)(C)c1c(OCc2ccccc2)cc(OCC(OCC)=O)cc1	52
+CC(C)(C)c1ccc2C(CCOc2c1)N	2526
+CC(C)(C)c1ccc2C(CCOc2c1)NC(Nc3c4cc(C)ncc4ccc3)=O	282
+CC(C)(C)c1cc2OCCC(=O)c2cc1	155
+CC(C)(C)c1cc2C3(CCNCC3)CN(C(=O)c4c(F)cccc4F)c2cc1	62
+CC(C)(C)c1ccc2c(ncc(c2Cl)C(=O)OCC)c1	120
+CC(C)(C)c1cc2CC(=NO)C(=O)c2cc1	3659
+CC(C)(C)c1ccc2c(nc(o2)-c3cc(cc(c3)CO)[N+](=O)[O-])c1	49
+CC(C)(C)c1ccc2c(nc(-c3cc(cc(COc4cccc(c4)Cl)c3)[N+](=O)[O-])o2)c1	20
+CC(C)(C)c1ccc2cc(C(OCC)=O)cnc2c1	4272
+CC(C)(C)c1cc2ccc(C(OC)=O)cc2cc1	833
+CC(C)(C)c1cc2c(cc(cn2)C(O)=O)cc1	6
+CC(C)(C)c1ccc2c(c1)nc(-c3cc(cc(c3)[N+]([O-])=O)C(=O)O)o2	1
+CC(C)(C)c1cccc(c1)B(O)O	493
+CC(C)(C)c1c(c(C(c2cccc(-c3c(OC)cccc3)c2)C)ccc1)OCc4ccccc4	4273
+CC(C)(C)c1c(OCc2ccccc2)c(C(C)(c3cccc(-c4c(cccc4)OC)c3)O)ccc1	2157
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)[N+]([O-])=O	77
+CC(C)(C)c1cccc(c1)C=2C(=CN(C)C)C(=O)N(c3sc4c(cccc4)n3)N=2	2163
+CC(C)(C)c1cccc(CN2C(=O)OC3C(CS(=O)(=O)CC23)Cc4cc(c(NC(CNCC)=O)c(F)c4)CC)c1	402
+CC(C)(C)c1cc(CNC2CS(=O)(=O)CC(C2O)Cc3cc(c(c(F)c3)NC(CNCC)=O)CC)ccc1	2875
+CC(C)(C)c1cccc(Nc2cc(nnc2C(=O)N)Cl)n1	1134
+CC(C)(C)c1cccc(OCCCOc2ccc(cc2)C(CC(O)=O)C#CC)c1	4
+CC(C)(C)c1cccc(B(O)OC)c1	493
+CC(C)(C)c1cccc(C2=NN(C(C2=CN)=O)c3sc4c(cccc4)n3)c1	2876
+CC(C)(C)c1cccc(c1O)C(c2cccc(-c3c(OC)cccc3)c2)c4ccccc4	16
+CC(C)(C)c1c(-c2ccncc2)cccc1	498
+CC(C)(C)c1ccccc1CCOS(=O)(=O)c2ccc(cc2)C	36
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4c(C(C)(C)C)cccc4)O	236
+CC(C)(C)c1c(O)ccc(C(C)=O)c1	94
+CC(C)(C)c1c(ccc([N+]([O-])=O)c1)O	77
+CC(C)(C)c1c(cccc1)Oc2c([N+](=O)[O-])cccn2	136
+CC(C)(C)c1ccccc1Oc2c(cc(Br)cc2)[N+]([O-])=O	46
+CC(C)(C)c1ccccc1OCCN(C(=O)Nc2c(cccc2)C(O)=O)C	1
+CC(C)(C)c1ccccc1OCCN(C(=O)Nc2ccccc2C(OC)=O)C	326
+CC(C)(C)c1c(cccc1)Oc2c(cc(-c3c(cccc3)C(O)=O)cc2)N	11
+CC(C)(C)c1c(Oc2c(NC(Nc3ccc(cc3)C)=O)cc(cc2)Br)cccc1	124
+CC(C)(C)c1ccccc1Oc2c(ccc(Cl)n2)N	7699
+CC(C)(C)c1ccccc1Oc2c(N)cc(Br)cc2	0
+CC(C)(C)c1cc(-n2c3c(ccc(c3)Oc4cccc(-n5c6ccccc6cn5)c4)c7ccccc27)ncc1	4043
+CC(C)(C)c1cc(ncc1)C	7700
+CC(C)(C)c1nc(NC(=O)c2c(O)ccc(Br)c2)sc1	173
+CC(C)(C)c1cc2c(n1CCO)cnc(N)c2	664
+CC(C)(C)c1nc2cc(N(S(=O)(=O)c3cccc([N+]([O-])=O)c3)C)ccc2n1CC4CCCCC4	416
+CC(C)(C)c1nc2cc(ccc2n1CC3CCOCC3)NCC	621
+CC(C)(C)c1nc2cc(ccc2n1CC3CCC(F)(F)CC3)N	106
+CC(C)(C)c1n2c(c(-c3cc4c(cc3)ccc(-c5ccccc5)n4)n1)c(ncc2)N	522
+CC(C)(C)c1c(N)c([nH]n1)C(N)=O	209
+CC(C)(C)c1c(C=O)cn(n1)CC(=O)Nc2sc3CCCCc3c2C(NCCO)=O	1460
+CC(C)(C)c1nc(-c2oc3c(c2)cc(cc3)CCC(OCC)=O)sc1	159
+CC(C)(C)c1nc(-c2oc3c(cc(cc3)CSc4ccccc4C(O)=O)c2)sc1	2722
+CC(C)(C)c1nc(-c2oc3c(c2)cc(Cn4cc(c5c4ccc(c5)O)C#N)cc3)sc1	16
+CC(C)(C)c1nc(-c2oc3c(c2)cc(Cn4cc(c5cc(OC)ccc45)C#N)cc3)sc1	65
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)CCCO)sc1	44
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)CCCn4cc(c5c4cc(C)cc5)C#N)sc1	1277
+CC(C)(C)c1nc(-c2oc3ccc(CSc4ccccc4CO)cc3c2)sc1	49
+CC(C)(C)c1nc(-c2cc3cc(ccc3o2)CCl)sc1	229
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)CSc4c(CCl)cccc4)sc1	2164
+CC(C)(C)c1nc(-c2oc3ccc(CO)cc3c2)sc1	41
+CC(C)(C)c1nc(-c2oc3c(cc(cc3)CCCCl)c2)sc1	723
+CC(C)(C)c1nc(C2CC2)cc(Cl)n1	64
+CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCCN)C3CCC3	45
+CC(C)(C)c1csc(n1)NC(=O)c2cc(ccc2OC(C)=O)Br	900
+CC(C)(C)c1nc(N2CCC(C2)O)c3c[nH]nc3n1	4274
+CC(C)(C)c1nc2c(cnn2Cc3ccc(cc3)OC)c(Cl)n1	1203
+CC(C)(C)c1sc(-c2nc(N)ncc2)c(-c3cccc(NS(=O)(=O)c4cocc4)c3F)n1	4108
+CC(C)(C)c1sc(c(-c2c(c(N)ccc2)F)n1)-c3nc(ncc3)Cl	2087
+CC(C)(C)c1nc2c(cc(I)cc2)c(Cl)n1	64
+CC(C)(C)c1nc(cc(C2CC2)n1)N3CCN(CC3)CCCSc4ncccn4	3294
+CC(C)(C)c1nc(C2CCC2)cc(Cl)n1	64
+CC(C)(C)c1cc(cc(C#N)n1)C(Nc2cc(-n3c4n(nc(c4)-c5cccnc5)cc3)c(C)cc2)=O	577
+CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCCNC(=O)c3cnccc3)C4CCC4	56
+CC(C)(C)c1nc(C2CCC2)cc(n1)N3CCN(CC3)CCCCN4C(c5c(C4=O)cccc5)=O	28
+CC(C)(C)c1cccc(Nc2c(nnc(c2)Cl)C(=O)OC)n1	845
+CC(C)(C)c1occ(CC#N)n1	4275
+CC(C)(C)c1c(cnc(n1)N2CCOCC2)C(=O)O	6
+CC(C)(C)c1nc(-c2cc(c(cn2)C3CC3)OC(C)C(F)(F)F)on1	260
+CC(C)(C)c1nc(sc1)-c2cc3c(o2)ccc(c3)OCc4c(OC(C(=N)NO)CCC)cccc4	409
+CC(C)(C)c1nc(sc1)-c2cc3c(o2)ccc(c3)OCc4ccccc4OC(CCC)C#N	143
+CC(C)(C)c1nc(sc1)-c2cc3c(o2)ccc(c3)OCc4ccccc4OC(CCC)C(=O)N	83
+O=S(=O)(N(OC)C)c1c(c(N)ccc1Cl)O	7701
+CC(C)(C)c1sc2c(cc(c(N)c2)N3CCN(CC3)C)n1	0
+CC(C)(C)c1nc2cc(N(C)S(=O)(=O)c3cccc(c3)N)ccc2n1CC4CCCCC4	0
+CC(C)(C)c1sc2c(cc(N3CCC(CC3)C)c(N)c2)n1	0
+CC(C)(C)c1nc2cc(N3CC(C)CCC3)c(N=C=S)cc2s1	333
+CC(C)(C)c1n(c2c(n1)cc(cc2)NC)CC3CCCCC3	2062
+CC(C)(C)c1n(CC2CCC(F)(F)CC2)c3c(n1)cc(cc3)NS(=O)(=O)CC	80
+CC(C)(C)c1n(c2c(n1)cc(N(S(=O)(=O)c3ccc(cc3)NC(=O)N)CC)cc2)CC4CCOCC4	416
+CC(C)(C)c1nccn1S(=O)(=O)N(C)C	2752
+CC(C)(C)c1nccc(-c2scc(c2)-c3c(Cl)cc(NS(=O)(=O)C)cc3)c1	1402
+CC(C)(C)c1n(c(C=O)cn1)S(=O)(=O)N(C)C	7702
+CC(C)(C)c1nn(c(CNC(=O)Nc2ccc(C(CO)CO)c(c2)F)c1)-c3cc(ccc3)Cl	238
+CC(C)(C)c1nn(-c2ccc(cc2)C)c(NC(=O)NCc3cc(F)ccc3Oc4ccnc(n4)Cl)c1	185
+CC(C)(C)c1nn(c(c1)NC(=O)Oc2ccccc2)-c3ccc(cc3)CC(OCC)=O	278
+CC(C)(C)c1cc(n(n1)-c2ccc(cc2)NC(=O)CC(C)(C)C(=O)O)NC(=O)Nc3ccc(cc3)Oc4ccncc4	1979
+CC(C)(C)c1nn(-c2ccc(cc2)N)c(NC(=O)Nc3ccc(cc3)Oc4ccncc4)c1	0
+CC(C)(C)c1cc(n(-c2ccccc2)n1)NC(=O)Oc3ccccc3	278
+CC(C)(C)c1nn(c(NC(C2CC(=O)c3cc(-n4c5ncccc5nc4)ccc23)=O)c1)-c6ccccc6	142
+CC(C)(C)c1c(Cl)c(-c2nc3c(cc(nc3OC)-c4ccccc4Cl)[nH]2)n(n1)C	4276
+CC(C)(C)c1nn(c(C(=O)NC2C(=O)N(C3C(CS(=O)(=O)C(C)C)CC(CC3)N(C(C)C)C)CC2)c1)C	712
+CC(C)(C)c1c(Cl)c(n(C)n1)C(O)=O	6
+CC(C)(C)c1cc(n(-c2ccc(cc2)CC(OCC)=O)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	446
+CC(C)(C)c1cc2nc(C)c(c(-c3cc4ccccc4cc3)n2n1)C(CCC)C(OC)=O	2057
+CC(C)(C)c1nn2c(c(c(nc2c1)C)C(C(=O)OC)CCC)Cl	2877
+CC(C)(C)c1cc2ncc(C#Cc3ccccc3)cn2n1	1472
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(n3)C4CCNCC4)n2)o1	2
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(C4CCN(CC4)C(C(CO)C)=O)n3)n2)o1	10
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(n3)C4CCN(CC4)C(=O)CC(C)O)n2)o1	10
+CC(C)(C)C1=NC2=C(C(C)=C(C(N2N1)=O)c3ccccc3)C#N	7703
+CC(C)(C)c1nnc(NC(N(CCCl)C)=O)s1	221
+CC(C)(C)c1nnc(s1)N2C(CCN(C)C2=O)O	1903
+FC(F)(F)c1ccc(cc1)OC(OC2CCN(C)C(=O)N2c3nnc(C(C)(C)C)s3)=O	405
+CC(C)(C)c1nnc(s1)N2C(OC(Oc3cc(ccc3)[N+]([O-])=O)=O)CCN(C)C2=O	405
+CC(C)(C)c1oc(cc1)C2C(C2)C(=O)O	3
+CC(C)(C)c1oc(C2C(C(OCC)=O)C2)cc1	7704
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(n3)C4CCN(CC4)C(=O)OC(C)(C)C)n2)o1	7705
+CC(C)(C)c1onc(NS(=O)(=O)c2ccccc2)c1Br	2165
+CC(C)(C)c1ccc(C=C)s1	7706
+CC(C)(C)c1sc(nn1)N=C=O	775
+CC(C)(C)c1nc(c(s1)-c2nc(N)ncc2)-c3c(c(N)ccc3)F	911
+CC(C)(C)c1sc(c(-c2c(c(ccc2)NS(=O)(=O)c3c(F)ccc(c3)F)F)n1)-c4nc(ncc4)Cl	69
+CC(C)(C)c1nc(-c2c(c(ccc2)NS(=O)(=O)c3c(cccc3F)F)F)c(s1)-c4nc(ncc4)NCC(C)O	96
+CC(C)(C)c1ccc(C2CC2C(=O)N3CC(C)OC(C)C3)s1	58
+CC(C)(C)c1ccc(s1)S(=O)(=O)Nc2c(c(nc(-c3ncccn3)n2)OC)Oc4c(cccc4)OC	2878
+CC(C)(C)c1nnc(NC(=O)N(CCC=O)C)s1	1110
+CC(C)(C)c1sc2c(n1)cc(N3CCC(CC3)C)c(N=C=S)c2	333
+CC(C)(C)c1sc2c(n1)cc(N3CCN(CC3)C)c(c2)N=C=S	333
+CC(C)(C)c1sc2cc(c(N3CC(CCC3)C)cc2n1)[N+]([O-])=O	1998
+CC(C)(C)c1nc2cc(N3CCCC(C)C3)c(N)cc2s1	0
+CC(C)(C)n1c(cc(C=NO)n1)-c2ccc(cc2)F	688
+CC(C)(C)n1c(Br)c(cn1)-c2scc(CC(=O)O)n2	3
+CC(C)(C)n1c(-c2ccc(cc2)C(F)(F)F)c(cn1)-c3scc(CC(=O)NCC4CCOCC4)n3	1624
+CC(C)(C)n1nc(cc1NC(C(N)C)=O)C2(CCN(CC2)C)c3ccccc3	334
+CC(C)(C)n1c2c(cc(Br)cc2)nc1-c3c(-c4nn(nn4)C)cccc3	1694
+CC(C)(C)n1c2c(CC(C(=O)O)(C)CC2)c(n1)-c3ccncc3	4
+CC(C)(C)n1nc(-c2cc(C(N)=O)sc2)c3c1ccnc3O	104
+CC(C)(C)n1c2c(c(OC)ncc2)c(-c3csc(C(N)=O)c3)n1	7707
+CC(C)(C)n1c2ccc(cc2nc1-c3ccccc3-c4nn(nn4)C)-c5cnc(nc5)N	7708
+CC(C)(C)n1c2nc(ncc2cc1)NC(c3ccc(cc3)C)=O	2879
+CC(C)(C)n1c(nc2cc(ccc12)Br)-c3ccccc3-c4[nH]nnn4	424
+CC(C)(C)n1c2c(c(OC)ncc2)c(-c3csc(c3)C(=O)O)n1	1
+CC(C)(C)n1cc(C(NCCN(C)C)=O)c2cnc(nc12)NC(c3ccc(cc3)C)=O	7709
+CC(C)(C)n1c2nc(ncc2c(c1)I)NC(c3ccc(cc3)C)=O	1996
+CCOC(c1c(Cl)n[nH]c1)=O	7710
+CC(C)(C)n1c2CCC(Cc2c(-c3ccncc3)n1)(C)C(OC)=O	1389
+CC(C)(C)n1nc(cc1N=C2c3ccccc3C(=O)N(c4ccc(cc4)Cl)N2)C	7711
+CC(C)(C)n1nc(CN)cc1-c2ccc(cc2)N3CCCCC3	2880
+CC(C)(C)n1nc(C=NO)cc1-c2ccc(cc2)N3CCCCC3	688
+CC(C)(C)n1nc(cc1-c2ccc(cc2)Cl)CCC=O	24
+CC(C)(C)n1c(CC(C)C)cc(C=O)n1	178
+CC(C)(C)n1nc(CCCN2CCN(CC2)c3ccc(cc3)Cl)cc1-c4ccc(cc4)Cl	61
+CC(C)(C)n1c(-c2ccc(cc2)F)cc(n1)C=O	1406
+CC(C)(C)n1nc(C=O)cc1-c2ccc(cc2)N3CCCCC3	1406
+C1CN(CCC1)c2ccc(cc2)N3C(=O)c4ccccc4C(=N3)Nc5cc(C)n[nH]5	7712
+CC(C)(C)n1ncc(C(N)=S)c1Br	4277
+CC(C)(C)n1ncc(C(=O)N)c1Br	1356
+CC(C)(C)n1c(Cl)c(C(=O)O)cn1	6
+CC(C)(C)n1ncc(C(=O)O)c1Br	6
+CC(C)(C=1C(C(=C(C)C(=O)C=1C)C)=O)CC(=O)OCCCCO[N+](=O)[O-]	456
+CC(C)(C=1C(=O)C(C)=C(C)C(=O)C=1C)CC(=O)Nc2ccc(cc2)CO	33
+C1CC(CCC1NC(c2ccc(-c3cccc(c3)F)nc2)=O)C(C)(C)O	56
+CC(C)(O)C1n2c(COC1)nc3c2c4c([n+]([O-])c3)cccc4	359
+CC(C)(O)C1COCc2n1c3c4ccccc4nc(N)c3n2	445
+CC(C)(c1c(Cl)cc(c(c1)C=O)OC)C=C	146
+c1cc(ccc1C(C)(C)CCO)-c2ccco2	347
+CC(C)(CO)CCC#N	237
+c1cc(ccc1)[Si](c2ccccc2)(OCC(C)(C)C=O)C(C)(C)C	328
+CC(C)(NC(c1ccc(F)cc1F)=O)C(C)O	684
+CC(C)(C=C)c1cc(c(OC)cc1Cl)Br	4278
+CC(C)(C(O)C)c1cc(Br)c(F)cc1	7713
+CC(C)(CCNCCC)O	15
+c1ccc2c(C(=O)N(C2=O)C(C)(C)CC(NCc3c(OCC(OCC)=O)cccn3)=O)c1	9
+c1ccccc1COC(NC(C)(C)CCOC)=O	21
+CC(C)(c1ccc(C)o1)CC(=O)O	4
+CC(C)(CC1OCCO1)CC(=O)OCC	2881
+FC(F)(F)C(CC(C)(C)Cc1cc(Cl)ccc1)(O)C(OCC)=O	4279
+CC(C)(CC(C(OCC)=O)=O)c1cccc(F)c1	4280
+FC(F)(F)C(O)(C(OCC)=O)CC(C)(C)c1cc(F)ccc1	4279
+CC(C)(Cc1n(nc(C(=O)OCC)c1)CCCC)O	4281
+CC(C)(C=1C(=O)C(C)=C(C)C(=O)C=1C)CC(=O)Nc2ccc(cc2)COc3ccc4nc(sc4c3)C#N	22
+CC(C)(CC(=O)O)N1C(c2ccccc2C1=O)=O	672
+CC(C)(CC(OC)=O)O	325
+CC(C)(CC(=O)NCCC)O	248
+CC1(C)C(C)(C)OB(O1)c2cc(C(C)(C)CC(OC)=O)ccc2OC	372
+CC(C)(c1ccc(cc1)C(Nc2nc3cc(C)nn3c(-c4ccccc4)c2)=O)CC(=O)O	4
+CC(C)(CC)C(=O)C(=O)N1C(C#N)CCC1	143
+CC(C)(CC)C(C(=O)N1CCCC1C(=O)O)=O	4
+CC(C)(CC)C(=O)C(N1CCCC1C(N)=O)=O	83
+C1COCCC1Cn2c(C(C)(C)CC)nc3cc(ccc23)NC(=O)C	1264
+c1cc(ccc1CC(O)(c2nc(cn2S(=O)(=O)N(C)C)CC(C)(C)CC)C)-c3c(cccc3)SC	11
+CC(C)(CC)N=C(NC#N)Nc1cc(cc(N=[N+]=[N-])c1)I	7714
+CC(C)(N=NC(Cl)(CCC(OCCCC)=O)C)CC	7715
+CC(C)(CC)c1cc(cc(c1O)[N+]([O-])=O)-c2cccc(C=C3SC(NC3=O)=S)c2	1149
+CC(C)(CC)c1ccc(OCC(=O)Nc2ccc(cc2)Nc3cc(ccc3)O)c(C(C)(C)CC)c1	26
+CC(C)(CC)c1ccc(OC(C(=O)Nc2cc(O)c(cc2)NC(=O)C(F)(F)C(Cl)F)CC)c(c1)C(C)(C)CC	26
+CC(C)(CC)c1ccc(Oc2c(C(=O)O)cc(O)cc2)c(C(C)(C)CC)c1	5
+CC(C)(c1c(c(cc(-c2cccc(c2)CC3SC(NC3=O)=S)c1)[N+]([O-])=O)O)CC	7716
+CC(C)(CC)c1c(O)c([N+]([O-])=O)cc(-c2cccc(C=O)c2)c1	2166
+CC(C)(c1cc(N)c(cc1)[N+](=O)[O-])CC	7717
+CC(C)(CC)c1cc(C(C)(C)CC)c(cc1)Oc2ccc(cc2C(Nc3ccccc3)=O)O	67
+CC(C)(c1ccc(NC(C)=O)c([N+]([O-])=O)c1)CC	77
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3C(OC(CC3)(c4ccccc4)CC(C)(C)C#N)=O	17
+CC(C)(CC1NC(OC1)=O)F	1138
+CC(C)(F)CC(CO)N	886
+CC(C)(CCO)CC1OCCO1	44
+CC(C)(CC=O)CC=C	2359
+CC(C)(CC=C)CCOC(c1ccc(cc1)[N+](=O)[O-])=O	279
+CC(C)(CC=C)CCO	237
+c1cc(ccc1)COC(=O)CC(C)(C)COS(=O)(=O)CCCNC(C)=O	4282
+CC1(C)OC2C(C(n3cnc4c(N)ncnc34)OC2CN(C)CCC(C)(C)NC(=O)OCc5ccccc5)O1	61
+CC(C)(NC(=O)OCc1ccc(cc1)[N+]([O-])=O)CCCO	647
+c1cc(ccc1)COC(CCC(C)(C)C(O)=O)=O	1699
+CC(C)(CCC(=O)O)NC(=O)OCc1ccc(cc1)[N+]([O-])=O	2167
+CC(C)(CCC)C(N)=O	2168
+CC(C)(CC(O)=O)CCC	3
+CC(C)(CCCC(CC=CC(C)=CCO)C)OC	4283
+c1cc(ccc1C(C)(C)CCCC)CC(CCl)C	2753
+CC(C)(CCCCC(O)=O)COC1CCCCO1	459
+c1cc(ccc1OC(=O)C(C)(C)CCCCCC)OCc2ccccc2	385
+CC(C)(O)CCCCN1C(=O)c2n(CC(O)CO)cnc2N(C)C1=O	2386
+CC(C)(CCCCOCCCCI)C(=O)OCC	363
+CC(C)(C(O)=O)CCCCOc1ccc(c(c1CCC)O)C(C)=O	4
+CC1(C)CCCc2c1ccc(Br)c2	957
+CC(C)(CCCl)COC1CCCCO1	219
+CC(C)(CCN1C(=O)c2ccccc2C1=O)COC3CCCCO3	851
+CC(C)(CCNc1nc(-c2n3ccnc(C)c3nc2-c4ccc(F)cc4F)ccn1)O	435
+c1cc(ccc1)C#Cc2ncc(nc2)NCCC(C)(C)O	941
+CC(C)(O)CCNc1nn2c(cc1)ncc2Br	7718
+CC(C)(CCN)COC1CCCCO1	45
+O=S1(=O)NC(=Nc2ccc(cc12)NS(=O)(=O)C)C=3C(N(CCC(C)(C)CC)N=C(C=3O)c4cccs4)=O	7719
+c1cc(ccc1)COC(=O)C(C)(C)CCO	283
+O=S(=O)(C)OCCC(C)(C)CC1OCCO1	7
+CC(C)(CC=O)CCN=[N+]=[N-]	24
+CC(C)(n1ncc(-c2ncnc3c2cc[nH]3)c1)CCOS(=O)(=O)C	7
+CC(C)(O)COc1c(Br)c(ccc1)C=O	72
+c1cc(ccc1N2C(CC3CN(CC3)C(=O)C4CC4)=NN(CC(C)(C)O)C2=O)-c5ccc6occc6c5	4284
+CC(C)(C(C(n1cncn1)Oc2ccc(Cl)cc2Cl)=O)CF	7720
+CC(C)(NC(=O)c1nn(c2C3CC3Cc12)-c4nccc(Cl)c4)CF	81
+CC(C)(CN(C)C)CN1C(C(OC(c2c1ccc(c2)Cl)c3c4ccccc4ccc3)CC(N)=O)=O	83
+CC(C)(CN(C)C)CN1C(=O)C(CC(=O)O)OC(c2c1ccc(c2)Cl)c3c4ccccc4ccc3	3
+CC(C)(CN(c1nc(ccc1)OC2CN(C2)c3ccc(cc3)C(NC(C)=O)C)C)O	640
+CC(C)(CN)CNc1cc(-c2c3cccnc3[nH]c2)cc(Cl)n1	70
+O=S(=O)(NCC(C)(C)CNc1nc(Cl)cc(-c2c3c(nccc3)[nH]c2)c1)c4cnccc4	1362
+FC(F)(F)C(=O)NCC(C)(C)Cc1cccc(Br)c1	605
+FC(F)(F)Oc1ccc(cc1)NC(c2c(Cl)cc(NCC(C)(C)O)c(c2)[N+](=O)[O-])=O	60
+FC(F)(F)c1nc2n(c1CC3CCC(CC3)(F)F)c(cc(C(=O)NCC(C)(C)O)c2)Cl	14
+CC(C)(O)CNC(c1ccc(Cn2c(c(c(n2)C)-c3cc(c(C#N)cc3)Cl)C)cn1)=O	81
+O=S(=O)(C)c1ccc(Oc2cc3cc([nH]c3c(OC)c2)C=4SC(CC(NCC(C)(C)O)=O)CN=4)cn1	9
+CC(C)(O)CNc1c2ccc(cc2ncc1[N+]([O-])=O)Br	105
+c1cc(ccc1)-n2c(cc(C(NCC(C)(C)O)=O)n2)NC(=O)c3c(Cl)cc(Cl)c(c3)-c4ccccn4	81
+CC(C)(CN1C(c2cc(Cc3ccc(cc3)-n4nccc4)c(C)c(C)c2C1)=O)O	7721
+c1cc(ccc1)N2C(C(C(O)=O)=C(N2CC(C)(C)O)C)=O	2882
+CC(C)(CN(C)C)CN1c2ccc(cc2C(OC(CC(OCC)=O)C1=O)c3cccc4ccccc34)Cl	61
+CC(C)(CN1c2c(cc(Cl)cc2)C(OC(CC(N)=S)C1=O)c3c(OC)c(ccc3)OC)COC(=O)C	199
+C1CC1NC(c2cc(F)c(c(-c3ccc4C(N(CC(C)(C)CO)C=C(c4c3)C=O)=O)c2)C)=O	99
+CC(C)(CN1CCC(CC1)CNC(c2c3n(cc(CC)n3)c(N)c(Cl)c2)=O)OC	7722
+CC(C)(CN1C(C(CC(OCC)=O)OC(c2cccc3ccccc23)c4c1ccc(c4)Cl)=O)C=O	24
+CC(C)(CN1C(C(OC(c2cc(Cl)ccc12)c3cccc(c3OC)OC)CC(N)=O)=O)COC(=O)C	83
+CC(C)(COC(=O)C)CN1C(=O)C(OC(c2cccc(c2OC)OC)c3c1ccc(Cl)c3)Cc4sc(cn4)C(OCC)=O	7723
+CC(C)(CNC(=O)c1nc(c2cc(ccc2c1O)Oc3cc4ccccc4cc3)C#N)C(=O)O	3
+CC(C)(Cn1c2c(nc1COCC)cnc3cc(cnc23)Br)O	7724
+CC(C)(C(NCc1cccc(OC)c1)=O)COc2c(c(N)ccc2)C#N	57
+CC(C)(C(OC)=O)COc1ccc(cc1)OC	20
+O=S(=O)(CCCNC(C)=O)OCC(C)(C)C(=O)OCC	7
+O=S(=O)(CCCNC(C)=O)OCC(C)(C)CC=C	7
+c1cc(ccc1)C(=O)Oc2cc3ccc(CCCC(C)(C)CO)cc3cc2N4S(=O)(=O)NC(C4)=O	2676
+C[Si](C)(C)CCOCn1c2c(c(c1)C(=O)NCC(C)(C)CO)nc(-c3c4ccc(cc4n(C)n3)F)cn2	484
+C[Si](C)(C)CCOCn1c2c(nc(cn2)Br)c(C(=O)NCC(C)(C)CO)c1	484
+c1ccccc1COC(=O)NCC(C)(C)CO	101
+c1ccccc1[Si](c2ccccc2)(OCC(C)(C)CN)C(C)(C)C	328
+CC(C)(CO)COC1OCCCC1	219
+c1cc(ccc1Cl)C2(OCC(C)(C)CO2)CSCC(OCC)=O	4285
+c1cc(ccc1C2(OCC(C)(C)CO2)CSCC(OCC)=O)C	4285
+c1cc(ccc1)COCC(C)(C)CO	149
+CC(C)(COC1COCC1)C=O	24
+CC(C)(C=O)COC1OCCCC1	24
+CC(C)(NC(C(Oc1ccc2c(cc(Br)cn2)c1)SC)=O)C=O	24
+CC(C)(C=O)NC(=O)c1ccc(F)cc1F	24
+O=S(=O)(C(C)(C)CO)CCNC(=O)C1=Cc2c(ncnc2Nc3ccc(Oc4cnc(cc4)C)c(C)c3)NCC1	7725
+CC(C)(c1[nH]c2c(cc(cc2)N)c1)CO	0
+c1cc(ccc1F)C(C)(C)C=O	24
+CC(C)(c1n(CC(O)CO)c2cc(F)c(cc2c1)NC(=O)C3(CC3)c4cc5OC(F)(F)Oc5cc4)CO	265
+CC(C)(CO)n1ncc(N)c1	209
+O=S(=O)(OCC(C)(C)n1ncc([N+]([O-])=O)c1)C	7
+CC(C)(CO)n1ncc(c1)Nc2nc(N3C(C(C4CC4)(CN)CC3)=O)ccn2	3844
+CC(C)(C1Cc2c(cc(OC)c(c2)OCCOCC)C3=CC(C(C(O)=O)=CN13)=O)COC	108
+CC(C)(COC)C1Cc2c(C3=CC(C(=CN13)C(OCC)=O)=O)cc(OC)c(OCCOCC)c2	8
+CC(C)(C1Cc2cc(c(cc2C3=CC(C(C(O)=O)=CN13)=O)OC)OCCC4CCCN4C)COC	108
+CC(C)(CCCCC#N)COC1CCCCO1	830
+CC(C)(CO)COC1CCOC1	95
+CC(C)(C#C)COC1CCOC1	1596
+CC(C)(c1ccc(cc1O)N)COCCOC	106
+CC(C)(c1ccc(cc1[N+](=O)[O-])N)COCCOC	77
+CC(C)(COc1ccc(cc1)OC)C=O	24
+c1cc(ccc1S(=O)(=O)OCC(C)(C)CS(=O)(=O)N)C	36
+c1cc(ccc1)C2(C(C(C(c3[nH]c4cc(ccc4c3CC(C)(C)NC(=O)C)C)c5ccccc5)=C2O)=O)C	2883
+CC(C)(CC(C(=O)OCC)=O)Cc1cc(Cl)ccc1	4280
+CC(C)(Cc1cc2c(OCO2)cc1)N	157
+CC(C)(NC(CCl)=O)Cc1cc(Br)ccc1	4286
+CC(C)(Cc1n(nc(c1)C(=O)N)CCCC)O	314
+c1cc(ccc1OC(C)(C)C#C)S(=O)(=O)N(C)C	7726
+CC1(C)c2c(C(C)(C)CC1)cc(C)cc2O	1204
+CC1(C)CCC(C)(C)c2c(O)cc(cc12)Br	1204
+CC1(C)c2cc(Br)c(cc2C(C)(C)CC1)C	1204
+CC1(C)c2c(ccc(O)c2)C(C)(C)CC1	1204
+CC1(C)c2ccc(OC)cc2C(C)(C)CC1	1204
+CC1(C)c2c(ccc(c2)CCCCCC)C(C)(C)CC1	1204
+CC1(C)CCC(C)(C)c2c1cc(CCCO)cc2	1204
+CC(C)(Cn1c2c(c(N)nc3cccnc23)nc1CO)F	59
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c(nc3cc(ccc3c12)OCc4ccccc4)N	445
+CC(C)(O)Cn1c(nc2c(N)nc3c(ncc(c3)-c4cc(ccc4)CO)c12)CO	665
+C1(c2ccccc2C(=O)N1OCc3nc4c(N)nc5ccccc5c4n3CC(C)(C)O)=O	7727
+CC(C)(O)Cn1c(nc2c(nc3ccccc3c12)N)CN4C(c5c(C4=O)cccc5)=O	2884
+CC(C)(Cn1c(nc2c(N)nc3c(ncc(-c4cccc(CO)c4)c3)c12)COCC)O	1151
+CC(C)(O)Cn1c2c(nc1COCC)c(N)nc3c2ncc(-c4cnc(cc4)F)c3	7728
+CC(C)(Cn1c(nc2c(N)nc3ccccc3c12)CCl)O	461
+c12c(C(=O)N(C1=O)Cc3n(CC(C)(C)O)c4c5c(cccn5)ncc4n3)cccc2	2884
+CC(C)(O)Cn1c2c(nc1CNC(C)=O)cnc3c2nccc3	68
+CC(C)(Cn1c(nc2c(nc3cc(cnc3c12)Br)N)COCC)O	461
+CC(C)(O)Cn1c2c3c([n+]([O-])c(c2nc1COCC)N)cccc3	2885
+CC(C)n1ncnc1-c2cn3c(-c4c(OCC3)cc(cc4)-c5cn(cn5)CC(C)(C)O)n2	1715
+CC(C)(Cn1c(COC(C)=O)nc2c1c3ncccc3nc2N)F	7729
+CC(C)(F)Cn1c2c(nc1COC(C)=O)c[n+]([O-])c3cccnc23	4287
+CC(C)(F)Cn1c(nc2c([n+](c3cccnc3c12)[O-])N)COC(C)=O	574
+CC(C)(c1nnc2ccc(F)cn12)N(C)C	757
+c1ccccc1CN(C)C(C)(C)CCO	44
+c1cc(ccc1F)-n2c3ccc(C#CC(C)(C)N(CCO)CC)cc3cc2	1247
+CC(C)(Nc1nc(Cl)c(c(n1)Cl)C#N)C#N	96
+CC(C)(C#N)NC(=O)C(CC)Oc1cc2c(cc1)ccc(OCC)c2	9
+FC(F)(F)c1cc2C(C)(C)CC(c3cccc(c3)NC(C)(C)C(O)=O)N(C)c2cc1	2012
+FC1(F)CN(C1)c2c(nc(C(NC(C)(C)CC(OCC)=O)=O)cc2)OCC3CC3	81
+CC(C)(NC(=O)C(CC)Oc1ccc2c(c1)cc(cn2)I)CCF	9
+CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3c(-c4ccc(cc4OCC3)C(=O)NCC(C)(C)N)s2)c(Cl)c1	14
+CC(C)(CNC(c1n2c(c(cc(C)c2)OCc3c(ccc(c3F)F)F)nc1C)=O)N	312
+c1cc(ccc1)-c2cc3c(cc2)c(NCC(C)(C)N)c([N+]([O-])=O)cn3	105
+CC(C)(N)CNc1cc(cc2c1ccnc2)-c3ccncc3	250
+CC(C)(CNc1ccc(C#N)cn1)N	70
+c1ccccc1COc2ccc3c(c([N+]([O-])=O)cnc3c2)NCC(C)(C)N	105
+FC(F)(F)c1ccc(cc1)C=2OCC(C)(C)N=2	4288
+c12c(cccc1)C(=O)N(C2=O)C(C)(C)CO	672
+CC1(C)COC(=N1)c2c(c(OCC)no2)C	7730
+CC(C)(Nc1scc(n1)-c2ccc(Br)cc2F)CO	4289
+c1c(OC)c(c(cc1C2=NC(C)(C)CO2)OC)Br	4288
+CC(C)(CO)NC(=O)c1ccc(F)cc1F	14
+CC(C)(CO)NC(=O)C(Oc1ccc2c(cc(Br)cn2)c1)SC	9
+c1cc(ccc1-c2ccccc2)Cn3cc4c(n3)NC(=NC(C)(C)CO)N(C4=O)C	7731
+c1cc(ccc1-c2nnn(C)c2COc3nnc(C(NC(C)(C)CO)=O)cc3)F	81
+c1cc(ccc1C(=O)OC)C(NC(C)(C)CO)=O	14
+c1cc(ccc1F)-n2c(COc3cnc(C(NC(C)(C)CO)=O)cn3)c(C)nn2	312
+c1cc(ccc1F)-n2nnc(C)c2COc3ccc(C(NC(C)(C)CO)=O)cn3	56
+CC(C)(N)CSc1nnc(cc1)Cl	1929
+CC(C)(CSc1ccc(Cl)nn1)NCC(O)COc2c(CCOC)cccc2	122
+c1c(F)c(c(cc1C=CC(=O)OC)F)C2NC(C)(C)Cc3c4c(cccc4)[nH]c23	7732
+CC(C)(c1ccc2c(cco2)c1)NC(Nc3ccc(cc3)-c4cc(C)ncc4)=O	2595
+CC(C)(N1CCCC1C)C(N)c2ccccc2	3867
+c1ccccc1C(C)(C)N2C(c3c(c(c(F)cc3I)Cl)C2O)=O	184
+Ic1cc(F)c(Cl)c2CNC(c12)=O	7733
+FC(F)(F)c1nc2ccccc2c(c1)C(NC(c3ccccc3)C(C)(C)N4CCCC4C)=O	14
+C1CC1NC(=O)c2cc(c(c(c2)N3C=CNC(C3=O)=NC(C)(C)c4ccccc4SCCCl)C)F	1518
+CC(C)(NC(C(COC)Oc1ccc2c(c1)scn2)=O)C#CC	3842
+CC(C)(c1ncccc1)NC(=O)N(CC)O	2674
+CC(C)(NC(=O)N(OCc1ccccc1)CC)c2ccccn2	7734
+CC(C)(CCCOS(=O)(=O)c1ccc(cc1)C)NC(=O)OCc2ccc(cc2)[N+]([O-])=O	36
+CC(C)(CC=O)NC(OCc1ccccc1)=O	24
+CC1(C)N=C(C(C)Br)OC1=O	7735
+CC(C)(NC(C(Oc1ccc2ccc(cc2c1)C)CC)=O)COC	3265
+CC(C)(NC(C(SC)Oc1ccc2c(cc(Br)cn2)c1)=O)C=NOCCCC	410
+CC(C)(Cc1cc(Br)ccc1)N	2886
+CC(C)(NC(c1ccc(cc1F)F)=O)C(C)=O	86
+CC(C)(N(C)Cc1ccccc1)CC(=O)OCC	131
+CC(C)(NCCC=C)CN	51
+CC(C)(CNC(c1ccc(c(Cl)c1)Cl)=O)NCCC=C	93
+CC(C)(NS(=O)(=O)C)CNc1c(cnc2cc(ccc12)OCc3ccccc3)N	13
+c1ccccc1COc2ccc3c(ncc4nc(n(CC(C)(C)NS(=O)(=O)C)c34)COCC)c2	546
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c(N)nc3c(ccc(OCC#Cc4cccs4)c3)c12	1990
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c1c3ccc(cc3nc2N)O	16
+CC(C)(NS(=O)(=O)C)Cn1c(nc2c(N)nc3c(cc(O)cc3)c12)COCC	16
+CC(C)(NS(=O)(=O)C)Cn1c(nc2c(N)nc3ccc(OCc4ccccc4)cc3c12)COCC	445
+CC(C)(Nc1nc(NCC)c(C#N)c(Cl)n1)C#N	40
+CC(C)(Nc1nc(NCC)c(c(n1)OC)C#N)C#N	145
+CC1(C)N(c2scc(-c3c(F)cc(cc3)Br)n2)C(OC1)=O	7736
+CC(C)(c1nn2ccccc2c1C(OCC)=O)O	2169
+C#Cc1c(C)ncc(N)c1	2110
+c1(ccc(C#C)c(c1F)F)F	2110
+CC(C)(C(C)NS(=O)(=O)c1ccc(cc1)Br)O	71
+CC(C)(C(Oc1ncnc(c1)OCC#CCC)C)O	1470
+CC(C)(C(Oc1c(cnc(Cl)n1)I)C)OC2OCCCC2	1646
+CC(C)(C1C(N(CC1)c2c(c(Cl)c(cc2)C#N)C#N)C)O	1191
+CC(C)(O)C1C(C)N(CC1)c2cc(F)c(c(Cl)c2C#N)C#N	7737
+CC(C)(C1n2c3c4ccccc4[n+](c(c3nc2COC1)N)[O-])O	574
+CC(C)(O)CCCC(C)C1CCCC2C(=O)CCCC12C	86
+C[Si](C)(C)OC(C)(C)CCCC(C)C1CCCC2C(=O)CCCC12C	19
+c1cc(ccc1CN)-c2n3nc(NCCC(C)(C)O)ccc3nc2	1414
+CC(C)(O)CN1CCC(CC1)(C#N)c2ccc(cn2)N	3983
+CC(C)(Cn1c2c(nc1CCC)cnc3c2ccc(Br)c3)O	730
+CC(C)(O)CNc1c(N)cnc2cc(ccc12)Br	13
+CC1(C)OB(OC1(C)C)c2c(OCC(C)(C)O)cccc2C=O	17
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)OCC(C)(C)O)OC	17
+CC(C)(O)COc1c(cc(N2C(C=C(OCc3ccc(cc3)Cl)N=C2)=O)cc1)OC	7738
+CC(C)(O)COc1c(OC)cc(cc1)N2C=NC(=CC2=O)C3C(c4ccccc4)C3	7739
+C[Si](C)(C)CCOCOC(C)(C)COc1ccc([N+]([O-])=O)cc1OC	433
+CC(C)(O)COc1c(OC)cc(cc1)N2C(=O)C=C(N=C2)Cl	7740
+CC(C)(Cn1c2c3c(cccc3)[n+](cc2nc1COCC)[O-])O	359
+CC(C)(Cn1c2c3c(cccc3)nc(N)c2nc1CN)O	45
+CC(C)(O)Cn1c2c3c([n+]([O-])cc2nc1COC(C)=O)cc(cc3)OCc4ccccc4	359
+CC(C)(Cn1c(CNC(C)=O)nc2c(N)nc3c(nccc3)c12)O	461
+CC(C)(Cn1c(COCC)nc2c(nc3c(cccc3)c12)N)O	445
+c1ccccc1COc2ccc3c([n+]([O-])c(N)c4c3n(c(n4)COC(C)=O)CC(C)(C)O)c2	574
+CC(C)(C)[Si](C)(C)OC(C)(C)Cn1cc(nc1)I	655
+FC(F)(F)Oc1cc(c(cc1)OC=2C=NN(C(=O)C=2)C(CC3CCCCC3)C(Nc4ccn(n4)CC(C)(C)O)=O)Cl	142
+O=S(=O)(C)c1c(C)cc(cc1)C(C(Nc2nn(cc2)CC(C)(C)O)=O)CC3CC(CC3)=O	142
+C1CCCC1CC(C(=O)Nc2nn(cc2)CC(C)(C)O)N3N=CC(=CC3=O)Oc4ccc(cc4)OC	142
+CC(C)(O)Cn1ccc(N)n1	161
+CC(C)(C)[Si](C)(C)OC(C)(C)Cn1c2ccc(Oc3c(cc(cc3)F)C#N)cc2cn1	655
+CC(C)(c1c(c2n(n1)cccc2)C=O)O	576
+CC1(C)OC(=O)Nc2ccc(cc12)Br	7741
+CC(C)c1c(O)ccc(c1)OC	564
+CC(C)(O)c1c2ncc(-c3ccnc(NC4CCC(CC4)C(=O)O)n3)n2ccc1	3
+CC(C)(O)c1c2n(c(cn2)-c3ccnc(n3)S(C)=O)ccc1	172
+c1(cc(cc(F)c1-c2sc(Nc3ccc(-c4cnn[nH]4)c(n3)C)c(c2)C(=O)N)C(C)(C)O)F	4290
+c1(cc(cc(F)c1-c2cc(C(=O)N)c(s2)Nc3nc(-c4cn(C)nn4)ccc3)C(C)(C)O)F	2461
+c1(cc(cc(F)c1-c2sc(Nc3nc(ccc3)Cn4nncc4C(OC)=O)c(c2)C(=O)N)C(C)(C)O)F	2461
+c1cc(ccc1S(=O)(=O)N2CCOCC2)Nc3c(C(N)=O)cc(s3)-c4c(cc(cc4F)C(C)(C)O)F	2170
+c1(cc(cc(F)c1-c2sc(Nc3ccc4c(n3)nsn4)c(c2)C(=O)N)C(C)(C)O)F	4290
+CC(C)(c1cncc(c1)C(=O)O)O	1
+CC(C)(c1ccc2c([nH]c3c2c(c(C#N)cc3C(=O)N)-c4c(C)c(ccc4)N5C(N(c6c(cccc6F)C5=O)C)=O)c1)O	492
+C[Si](C)(C)C#Cc1ncc(cc1)C(C)(C)O	961
+C[Si](C)(C)CCOCOC(C)(C)c1cnc(cc1)Br	433
+CC(C)(O)c1ccc2C(N(c3c(c(Br)ccc3)CO)CCc2c1)=O	41
+CC(C)(O)c1ccc2c3c([nH]c2c1)c(C(N)=O)ccc3-c4c(C)c(N5C(=O)N6C=CC=C(Cl)C6=CC5=O)ccc4	492
+CC(C)(c1cc2[nH]c3c(c(-c4c(C)c(N5C(c6cc(cc(F)c6NC5=O)F)=O)ccc4)c(cc3C(=O)N)Cl)c2cc1)O	492
+CC(C)(c1cc2[nH]c3c(c(-c4cccc(N5C(=O)N(C)c6c(ccc(c6)OC)C5=O)c4C)c(cc3C(=O)N)Cl)c2cc1)O	492
+CC(C)(c1cc2[nH]c3c(c(-c4cccc(c4C)N5C(N(C)c6c(ccc(F)c6)C5=O)=O)c(cc3C(=O)N)Cl)c2cc1)O	492
+CC(C)(c1cccc(N)n1)O	1380
+CC(C)(c1cccc(C)c1N)OCC	1515
+CC(C)(O)c1nc(Nc2cc(nnc2C(=O)N)Cl)ccc1	314
+CC(C)(c1ccc(cn1)-c2c(C)ccc(c2)N)O	156
+CC(C)(OC(c1cc(N=C=O)ccc1Cl)=O)C(OCC)=O	1044
+FC(F)(F)C=1NC(=O)N(C(=O)C=1)c2ccc(Cl)c(C(=O)OC(C)(C)C(OCC)=O)c2	2375
+c1cc(ccc1C(C)(C)OC)N2C(C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)=C(CCC)N=C2CC)=O	1671
+OB(O)c1cc(cnc1)C(C)(C)OC	2028
+C1C(CC1N2c3n(ncn3)C(CCC)=C(C2=O)Cc4ccc(cc4)-c5ccccc5C#N)OCC(C)(C)O	665
+CC(C)(OCC)c1c(CC2CCC(CC2)(F)F)n3c(n1)cc(cc3C)C(=O)O	329
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc(C)c(cc2OC)OC(C)(C)C(=O)OC	262
+CC(C)(C(OCC)=O)Oc1cccc(CN)c1	107
+CC(C)(Oc1cc(C)c(cc1C)S)C(=O)OC	1180
+FC(F)(F)c1ccc(cc1)-c2ccc(nn2)COc3ccc(OC(C)(C)C(OCC)=O)c(c3)C	20
+FC(F)(F)c1ncc(cc1)-c2nc(c(COc3ccc(c(C)c3)OC(C)(C)C(OCC)=O)cn2)CCOC	2171
+FC(F)(F)c1ccc(cc1)-c2csc(NCCOc3ccc(c(C)c3)OC(C)(C)C(OC)=O)n2	7742
+CC(C)(C(=O)O)Oc1cc2c(C(=O)OCc3ccccc3)c(C)[nH]c2cc1	3
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3cc(ccc3)OC(C)(C)C(OCC)=O)c2	20
+c1cc(ccc1)CC(CS(=O)(=O)C(C)(C)C(N)=O)C(=O)OCc2ccccc2	2168
+C1CCN(C1)CC(C)(C)S(=O)(=O)c2cc3sc(N)nc3cc2	902
+CC(C)(C(O)=O)Sc1cc2sc(N)nc2cc1	3
+CC(C)(Cc1ccc2c(c1)OCO2)[N+]([O-])=O	4244
+FC(F)(F)c1cccc(C(Nc2cc(c(cc2)OCC(C)(C)[N+](=O)[O-])-c3n(ncc3Cl)C)=O)c1	262
+CC(C)(Cc1c2c(c(ccc2)OCc3ccccc3)[nH]c1)N	157
+CC1(C)C(C)(C)OB(O1)c2c(C(C)(C)OCOCC)ccc(C)c2	17
+CC[Si](CC)(CC)C#Cc1c(C(C)(C)C(N)=O)cccc1	263
+CC(C)(COCCOC)c1c(cc(NC(=O)C)cc1)O	606
+CC(C)(O)c1c(NC(=O)C)cccc1OC	26
+CC(C)(c1c(N)cc(NC(C)=O)cc1)COCCOC	0
+C(c1ccc(Cl)c(CO)c1)NC(CC)=O	2696
+CC(C)(c1c(Br)cccc1)C(=O)N	645
+CC(C)(c1c(cccc1)OCc2ccccc2)N=C3C(=O)N(c4cc(ccc4C)C(=O)OC)C=C(Br)N3	7743
+CC(C)c1c(C)cccc1OC	564
+CC(C)(c1nnc(nc1Cl)-c2c3ccc(C)nc3n(n2)Cc4c(F)c(F)ccc4)C(=O)OC	7744
+CC(C)(CC(=O)Cc1ccc(C#N)cc1Cl)c2c3c(CCO3)ccc2	86
+CC(C)(c1c2c(ccc1)CCO2)CC=O	378
+CC(C)(c1c2c(CCO2)ccc1)CC(N(OC)C)=O	164
+CC(C)(CN)c1c2ccccc2[nH]c1	51
+CC(C)(c1c2OCCc2ccc1)CC(Cc3ccc(C#N)cc3Cl)O	7745
+CC(C)(c1cccc(-c2ccnc3c2cn[nH]3)c1)CN	51
+CC1(C)C(C)(C)OB(O1)c2cccc(C(C)(C)C#N)c2	17
+c1cc(ccc1[N+](=O)[O-])Oc2ccc(C)c(NC(c3cccc(C(C)(C)C#N)c3)=O)c2	46
+CC(C)(c1cc(C(=O)Nc2cc(ccc2)N(c3nc4c(cn3)nc(N)s4)C)ccc1)C#N	2811
+CC(C)(c1cc(C(Nc2cc(NC(c3cc4nccnc4s3)=O)c(cc2)C#N)=O)ccc1)C#N	180
+CC(C)(c1cc(C(Nc2ccc(c([N+]([O-])=O)c2)C)=O)ccc1)C#N	67
+CC(C)(c1cc(C(Nc2ccc(c([N+]([O-])=O)c2)Br)=O)ccc1)C#N	67
+CC(C)(C#N)c1cccc(NC(Nc2ccc(c(c2)NC(c3sc4c(nccn4)c3)=O)C)=O)c1	4291
+CC(C)(c1cc(C(Nc2cc(Nc3ncc4nc(NC(C)=O)sc4n3)c(Cl)cc2F)=O)ccc1)C#N	67
+CC(C)(c1cc(C(=O)O)ccc1)C#N	1
+CC(C)(CC)c1cc(C(C)(C)CC)c(cc1)Oc2c(C(O)=O)cc(cc2)OC	1
+CC(C)(c1cc(C(=O)Nc2cc(N(C)c3nc(SC#N)c([N+]([O-])=O)cn3)ccc2)ccc1)C#N	4211
+CN(C)CCNc1cnc2c(sc(C(=O)Nc3c(ccc(NC(c4cc(C(C)(C)C#N)ccc4)=O)c3)C)c2)n1	464
+CC(C)(c1cccc(c1)C(Nc2cc(c(cc2)CC)Oc3ncc([N+]([O-])=O)cc3)=O)C#N	136
+CC(C)(c1cc(ccc1)C(Nc2ccc(c(c2)N)Br)=O)C#N	0
+CC(C)(c1cc(ccc1)C(Nc2cc(N)c(cc2)C)=O)C#N	0
+CC(C)(O)c1cc(F)c(CN)cc1	107
+CC(C)(C(=O)N=[N+]=[N-])c1cccc(c1)F	7746
+CC(C)(c1cc(c(cc1)N)N)CC	0
+CC(C)(O)c1cc(N)nc(C)c1	7747
+c1cc(ccc1F)-n2c(C(C)(C)c3cc(c(Cl)cc3)Cl)cnc2	7748
+CC(C)(C(C)=O)c1cc(c(F)cc1)OC	2555
+CC(C)(c1cc(ccc1)C(=O)Nc2cccc(Oc3c(cc(N)cc3)C#N)c2)C#N	0
+CC(C)(c1cc(ccc1)C(=O)Nc2cccc(Oc3c(c4c(cc3)nc(s4)N)C#N)c2)C#N	821
+CC(C)(c1cc(ccc1)C(=O)Nc2ccc(c(N3C=Nc4c(cccc4C3=O)Cl)c2)C)C#N	7749
+CC(C)(c1cc(ccc1)C(Nc2cc(Nc3ccc4c(c3)C(N(C)C(SC)=N4)=O)c(C)cc2)=O)C#N	230
+CC(C)(c1cc(ccc1)C(Nc2cc(ccc2)NC=O)=O)C#N	2887
+CC(C)(c1cc(C(Nc2cc(NC)ccc2)=O)ccc1)C#N	695
+CC(C)(c1cc(C(=O)Nc2ccc(c(c2)NC(c3cc4nccnc4s3)=O)Br)ccc1)C#N	864
+CC(C)(c1cc(F)ccc1)C(O)=O	4292
+CC(C)(OC)c1cncc(Br)c1	76
+CC(C)c1c(OC)cc2C(C)CCCc2c1	564
+CC(C)(C(=O)O)c1cc2c(c(O)c1)C3CC(CCC3C(C)(C)O2)O	100
+CC(C)(c1ccc2OCc3ncccc3C(=CCCN4CCC(N(Cc5ccc(cc5)Cl)CC(OC)=O)C4)c2c1)O	2000
+c1cc(ccc1Cl)NC2(CCN(CC2)CCC=C3c4c(OCc5ncccc35)ccc(C(C)(C)O)c4)C#N	2000
+CC(C)(CO)c1cc2c(ccc([N+](=O)[O-])c2)[nH]1	44
+CC(C)(c1sc2c(c(N3CCOCC3)nc(-c4cnc(nc4)N)n2)c1)OC	7750
+CC(C)(c1cc2c(ccc([N+](=O)[O-])c2)[nH]1)C(OCC)=O	31
+CC(C)(c1cc2cccnc2c(c1)-c3cccc(CC(c4ccc(cc4)SC)C(=O)c5ccccc5)c3)S(=O)(=O)C	155
+CC(C)(c1cc2cccnc2c(c1)-c3cccc(c3)CC(c4ccc(cc4)SC)C=O)S(=O)(=O)C	59
+CC(C)(c1cc2cccnc2c(-c3cc(ccc3)CC(C(c4ccccc4)O)c5ccc(cc5)SC)c1)S(=O)(=O)C	7751
+c1cc(ccc1F)-n2ncc3cc(C(C)(C)C(C)(C)CN)ccc23	15
+CC(C)(c1ccc(C)o1)CCO	21
+CC(C)(c1ccc(C)o1)CC=O	24
+CC(C)(C(=O)O)c1cc(c(cc1)F)OC	4
+CC(C)(c1c(C=C)cc(NC(c2cc(c(cc2)OC)OC)=O)cc1)C#N	50
+CC(C)(CC)c1ccc(N)c([N+](=O)[O-])c1	106
+CC(C)(C#N)c1ccc(c(C)c1)C(C)N	474
+c1cc(ccc1C(C)(C)C(=O)O)-c2cc(cnc2)COC	89
+c1cc(ccc1-c2cncc(C#N)c2)C(C)(C)C(=O)O	89
+CC(C)(c1ccc(cc1)CC(CO)C)CC	1028
+c1cc(ccc1C=C(C=O)C)C(C)(C)CC	1103
+c1cc(ccc1C(C)(C)COC)F	21
+c1cc(ccc1F)C(C)(C)CCC(=O)N(OC)C	978
+c1cc(ccc1F)C(C)(C)CNc2ccc(nn2)Cl	232
+c1cc(ccc1F)C(C)(C)CNc2ncc(cn2)Br	1333
+c1cc(ccc1OCC2COC(C)(C)O2)C(C)(C)c3ccc(cc3)OCC4CO4	267
+CC(C)(c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)c3ccncc3)Cl)CC	69
+CC(C)(COCCOC)c1ccc(cc1)N	0
+CC(C)(c1c([N+](=O)[O-])cc(cc1)NC(=O)C)COCCOC	26
+CC(C)(c1ccc(nc1)C2CC2COc3nc(C)nc(Cl)c3)O	145
+CC(C)(c1ccc2OCc3ncccc3C(=CCCN4CC(N(CC(=O)O)Cc5ccc(cc5)Cl)CC4)c2c1)O	4
+C1CC2CCN1CC2NC(=O)NC(C)(C)c3cccc(-c4ccccc4)c3	11
+CC(C)(c1cc(C(=O)Nc2c(C)ccc(c2)O)ccc1)C#N	50
+CC(C)(c1cc(C(Nc2cc(c(cc2)CC)O)=O)ccc1)C#N	50
+CC(C)(c1cccc(C(=O)Nc2cccc(c2)[N+]([O-])=O)c1)C#N	50
+CC(C)(c1cc(ccc1)C(Nc2cc(N)ccc2)=O)C#N	0
+CC(C)(c1cccc(C(Nc2cc(Oc3ccc4c(sc(NC(C)=O)n4)c3)ccc2C)=O)c1)C#N	290
+CC(C)(C#N)c1cccc(OC)n1	430
+CC(C)(c1cc(ccc1)C(=O)Nc2cc(Oc3ccc([N+](=O)[O-])cc3C#N)ccc2)C#N	46
+CC(C)(c1cccc(c1)C(Nc2cc(Oc3nc4c(cc3)nc(NC(=O)CO)s4)c(CC)cc2)=O)C#N	948
+CC(C)(c1cccc(c1)C(Nc2ccc(c(Oc3ccc(N)cn3)c2)CC)=O)C#N	13
+CC(C)(c1cccc(c1)C(Nc2cc(Oc3ccc4c(sc(N)n4)n3)c(CC)cc2)=O)C#N	2153
+CC(C)(OC1CCCCO1)c2ccccc2Br	219
+CC(C)(OC1OCCCC1)c2c(cccc2)CCC(c3cc(ccc3)C=Cc4nc5c(ccc(Cl)c5)cc4)OS(=O)(=O)C	7
+CC(C)(C(N)=O)c1ccccc1CCc2c(Cl)cnc(Nc3cnn(c3)C)n2	486
+CC(C)(NC(=O)NOCc1ccccc1)c2ncccc2	7752
+CC(C)(c1sc(cc1)Cl)c2nnc(n2C3CC3)C4CC4	2172
+CC(C)(c1sc(cc1)I)c2n(c(nn2)C3CC3)C4CC4	1927
+CC1(C)Cc2nc(ccc2CC1)C(NC(C)(C)c3noc(n3)C)=O	81
+CC(C)(c1nc(Nc2cc(NCCN)nnc2C(=O)N)ccc1)C#N	232
+CC(C)(c1nc(Nc2cc(nnc2C(=O)N)Cl)ccc1)C#N	314
+c1cc(ccc1)C(=O)N=C2NC3(CN(c4nc(c(cn4)F)C(C)(C)O)CC3CS2)c5cnccn5	7753
+CC(C)(OCC)c1nc2cc(cc(n2c1CC3CCC(CC3)(F)F)C)C#N	481
+CC(C)(C#N)c1ccc(cn1)Nc2c3cc(ccc3ncc2[N+](=O)[O-])Br	1332
+CC(C)(c1ncccc1Oc2cnc3c(cccc3c2)F)C#N	3984
+CC(C)(c1ncccc1Oc2cnc3c(cccc3c2)F)C(OCC)=O	2061
+CC(C)(c1ncccc1Oc2cnc3c(cccc3c2)F)C(O)=O	3
+CC(C)(O)c1c(c2n(cccc2)n1)CO	536
+CC(C)(c1nnc(C2CC2)o1)c3cncc(-c4cc5CCc6n(c(nn6)C)-c5cc4)c3	156
+CC(C)(c1nnc2ccc(OC3c4ccccc4C(CC3)N)cn12)N(C)C	870
+CC(C)(n1ncc(c1)-c2ncnc3c2cc[nH]3)CCC#N	300
+CC(C)(C)OC(C(CC(C)C)Br)=O	2173
+FC(F)(F)c1ccc2NC(CC(C)(C)c2c1)c3cc(Br)ccc3	1415
+CC1(C)c2c(c(Cl)cc(C#N)c2)NC(C1)c3cccc(Br)c3	1415
+CC(C)(C)OC1CN(C(C1)C(=O)OCc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3	7754
+CC1(C)c2c(c(cc(C#N)c2)C)NC(c3cccc(Br)c3)C1	1415
+CC1(C)c2c(NC(c3cc(Br)ccc3)C1)ccc(C(=O)OCC)c2	1415
+CC1(C)CC(Nc2c1cc(cc2)C(=O)OCC)c3cc(C#N)ccc3	1415
+CC1(C)CC(Nc2c1cc(cc2)C(OCC)=O)c3cc(C(OC)=O)ccc3	1415
+CC1(C)ON=C(C1)c2cc(c(Cl)nc2)Cl	7755
+CC(C)(C)OC(=O)c1ccc(C)c(c1)OC	2174
+CC(C)(C)OC(c1c(Cl)cc(c(Cl)c1)Cl)=O	2174
+CC(C)(C)OC(=O)c1ccc(cc1O)O	2174
+CC(C)(C)OC(=O)CC1C(=O)N(C(CC)C(OCC)=O)C(c2ccc(cc2)Cl)C(c3cc(Cl)ccc3)C1	2173
+CC(C)(C)OC(=O)C(C(C)C)NS(=O)(=O)c1ccc(cc1)F	2173
+CC(C)(C)Oc1ccc(cc1)Cc2n(C)nc(-c3c(cccc3Cl)F)n2	1658
+CC(C)(C)OC(=O)COCCOCCNC(=O)OCC1c2ccccc2-c3ccccc13	2173
+CC(C)(C)OC(=O)c1c(CCc2ccccc2NC(OCc3ccccc3)=O)cccc1	2174
+CC(C)=C(c1cc(ccc1-c2cc(ccc2F)OC)C(OC)=O)C	7756
+CC(C)=C(C(OC)=O)N1C(CC=C)C([N+]#[C-])C1=O	7757
+CC(C)=C(C(OC)=O)N1C(C(NC=O)C1CC=C)=O	7758
+c1ccccc1COC(=O)NC2C(=O)N(C2CC=C)C(=C(C)C)C(OC)=O	1403
+c1cc(ccc1)C(=O)c2c(O)cc(O)c(c2)C(C)(C)CC	7759
+CC(C)=CC(Nc1cc(C(C(=O)OCC)CCCCC)ccc1)=O	1966
+CC(C)=CC(=O)Nc1cccc(NC(C)=O)c1	1966
+CC(C)=CC(Oc1ccc(cc1)Br)=O	7760
+CC(C)=CC(=O)Nc1ccccc1C	1966
+CC1(C)c2ccc(NC(=O)C)cc2NC(C1)=O	1620
+CC1(C)CC(=O)Nc2c(cccc12)C	1620
+CC1(C)CC(=O)c2c(cc(OC)cc2)O1	4293
+CC(C)(c1cc(c(OC)cc1)OS(=O)(=O)C)CC(=O)O	4294
+CC1(C)Oc2c(cc(c(c2)O)Br)C(=O)C1	4293
+c1cc(ccc1C(C)(C)CC(=O)O)OC	4294
+c1cc(ccc1NC(C=C(C)C)=O)F	7761
+CC1(C)CC(=O)Nc2cc(ccc12)C(C(=O)OCC)CCCCC	1620
+CC1(C)c2c(OC(=O)C1)ccc(Br)c2	7762
+CC(C)=CCn1c([N+]([O-])=O)nc(C)c1	7763
+CC(C)=CCOc1c(Cl)ccc(Nc2nc(N)ccn2)c1	2888
+CC(C)CCC(C(=O)OC)C(O)C	1101
+CC(C)=CCC(c1ccccc1)(C)CNC	110
+c1cc(ccc1)C(C)(CN(C)S(=O)(=O)c2ccccc2)CC=C(C)C	92
+CC(C)=CCC1OC1(C2C(CSCc3ccccc3CCl)(CCC(OC(=O)NC(=O)CCl)C2OC)O)C	7764
+CC(C)=CCC1OC1(C)C2C(C(CCC2(O)CSCc3ccccc3CCl)O)OC	438
+CC(C)=CCCC(=CCCC(=CCCC(C)=CCSCCNC(SC)=C[N+]([O-])=O)C)C	3468
+CC(C)=CCCC(=CCCC(=CCCC(C)=CCSCCNC(=C[N+](=O)[O-])NC)C)C	2063
+O=S(=O)(c1ccc(cc1)C)OCCCC=C(C)CCC=C(CCC=C(C)C)C	36
+CC(C)=CCCC(C)=CCCC(CC(OCC)=O)=O	7765
+CC(C)=CCCC(=CCCC(C)=CCCCO)C	95
+CC1(C)C(O1)CCC(=CCCC(=O)CC(=O)OCC)C	4295
+CC(C)=CCCC(CC(C(OCC)=O)=O)=O	1135
+CC(C)=CCCc1cc(n[nH]1)C(OCC)=O	2889
+CC(C)=CCCC(CC=CC(=CCOC)C)C	3890
+CC(C)=CCCC(C)CC=CC(C)=CCO	2569
+CC(C)=CCCC(CCOC(=O)CCC(=O)Cl)C	130
+CC1(C)OC1CCC2(C)CC2CO	4295
+c1cc(ccc1C(=O)CC2CC=C(CCC=C(C)C)CC2)OC	94
+CC(C)=CCCC=1CCC(CC=1)CCc2ccc(cc2)O	5
+CC(C)=CCCCCCOC	21
+CC(C)CCCCCCO	1101
+CC(C)=CCCCCCO	88
+CC(C)=CCCc1n[nH]c(C(=O)O)c1	6
+CC(C)(Cl)C(=NO)CCn1c([N+]([O-])=O)ncc1	4296
+c1cc(ccc1)C(Oc2cc(c(OCCCCOCC=C(C)C)c(CC)c2)C)=O	126
+CC(C)=CCOc1cc(O)c(cc1)C(=O)C=Cc2c(cccc2)CCCCCCC	307
+CC(C)=CCOc1ccc(C(=O)C=Cc2ccccc2CCCCCCC)c(OCC(OCC)=O)c1	52
+CC(C)=CCn1c2c(N(C(N(CC(=O)c3ccccc3O)C2=O)=O)C)nc1Cl	5
+CC(C)(C(Cn1c(nc(C)c1)[N+]([O-])=O)=NO)Cl	4296
+CC(C)=Cc1cc(CN)ccc1	107
+CC(C)=NOc1c(C(c2ccc3c(c2)ccc(c3)OC)=O)ccc(OC)c1	2890
+c1ccccc1COc2cc(ON=C(C)C)c(C#N)cc2	2890
+CC(C)Nn1c(CCC)nc2c1c3ccc(Br)cc3nc2	4297
+CC(C)Nn1c2c3ccccc3ncc2nc1	4297
+CC(C)[SiH](C(C)C)c1c(C)cc(cc1C)OCCC(=O)O	2891
+CC(C)n1ncnc1-c2sc3c(-c4c(cc(cc4)C5CN(C5)C(C)(C)C#N)OCC3)n2	735
+CC1(C)Oc2c(C1)c(C)c(C)c(C=CC(=O)C)c2Cl	964
+CC(C)(N1C(CCC1)C)C#N	735
+CC(C)NC(CC)C(=O)OC	3794
+CC(C)=Cc1cc(ccc1)C#N	846
+Clc1c(Cl)ccc(c1OC)OC	7766
+Cc1ccccc1-c2cc(c(C(=O)N3Cc4n(Cc5c3cccc5)c(C(=O)O)cc4)cc2)OC	2892
+c1cc(ccc1C2CCCCC2)C(N3c4c(cccc4)Cn5c(C(=O)O)ccc5C3)=O	2892
+c1cc(ccc1C=2CCCCC=2C)C(N3Cc4ccc(C(=O)O)n4Cc5ccccc35)=O	2892
+Clc1cc(cc(Cl)c1Oc2cc(c(Cl)nn2)C(C)C)CC(O)=O	2891
+FC(F)(F)C(O)(c1cc2cnn(c2cc1)-c3ccc(cc3)F)c4c5ncnc(Cl)c5n(CC(CO)O)c4	7767
+FC(F)(F)c1cccc(-c2sc3c(n2)c(C(O)=O)ccn3)c1	4298
+CC(C)NCc1c([N+]([O-])=O)cccc1	87
+c12c(nc(SC)nc1)nc(C)cc2	7768
+CC(C)Nc1c(cc(c(C(OC)=O)c1)C)C#N	231
+Cc1cc2c([N+]([O-])=O)c(Cl)ccc2[nH]1	7769
+CC(C)Nc1ccn[nH]1	1270
+c1nc2N(C(N(C(=O)c2n1C)CCCC(CO)O)=O)C	1886
+COc1ccc(c(I)c1)C=CC(C)=O	964
+Cc1ccc(c(c1)C=CC(C)=O)F	964
+O=S(=O)(c1ccc(cc1)C)n2ccc3c(Cl)c(cnc23)C(=O)O	4298
+c1cc(ccc1)COC(N2C(CC(O)CO)CCCC2C(=O)OC)=O	1951
+c1ccccc1N(CC)CC(O)CO	1951
+c1cc(ccc1-n2c(c(nn2)C(=O)NC3CC3)CCC(CO)O)NC(NCC)=O	1951
+CC(C)NCCCCO	87
+CC1(C)Oc2cc(ccc2O1)C=O	2893
+OC(c1c(cc2OCOc2c1)[N+]([O-])=O)=O	1144
+C(c1cc2c(occ2CCNC(C)=O)cc1)(=O)O	1144
+O1c2c(OC1(C)C)cccc2	2893
+c1ccc2c(c1NC(C)=O)C(=O)CCCC2	3975
+CC(C)NCc1cc(ccc1)-c2cc(ccc2OC)[N+]([O-])=O	87
+CC1(C)CC(=O)c2cc(O)ccc2O1	2003
+CC(C)NC1CCCn2c3ccccc3c(C)c12	87
+CC(C)(O)c1ccc(nc1)Br	1239
+CC(C)(O)c1ncc(cc1)Br	938
+CC(C)(O)c1ccc(nc1)Br	7770
+c1cc(cc(C)c1OC)CCCC(=O)O	2891
+CC1(C)Oc2cc(ccc2C(=O)O1)O	7771
+c1cc(ccc1)C(=O)Oc2cc(C(O)=O)ccc2OC	1144
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCCC(=O)O	4299
+O=S(=O)(C(C(C)(C)O)c1cc(ccc1)OCc2ccccc2)NCc3c(cc(OC)cc3)OC	4300
+c1cc(ccc1OCC2OC(C)(C)OC2)Br	381
+c1cc(ccc1Cl)C(NC(C)C)(C)C(CC=C)c2cc(ccc2)Cl	87
+CC(C)Nc1ccc(cc1)C(C(=O)Nc2ccc(cc2)-c3cc(C)ncc3)C	231
+O1CC(COC1(C)C)c2ccc(cc2)OCc3ccccc3	1526
+c1cc(ccc1NC(C)C)C	231
+CC(C)N1CC2N(CCC2C1)c3ccc(cc3)-c4ccc(cc4)C#N	85
+c1cc(ccc1C#N)Oc2ccc(cc2)C(O)=O	1144
+c1cnccc1-c2cc3N(CCCC)C(C)(C)NC(c3s2)=O	4301
+CC(C)NC(c1ncc(-c2ccccc2)[nH]1)C	87
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCC(=O)O	4299
+c1ccccc1CC(NCCc2c3c(ccc2)ccc(C(=O)O)c3)=O	1144
+c1ccccc1CN2CCC(CC2)NC(C)C	87
+c1ccccc1COC(NC2CCN(C3CCC(NC(C)C)CC3NC(C)=O)C2=O)=O	87
+c1ccccc1COc2c(cc(C(O)=O)cc2F)OC	1144
+c1cc(ccc1)C(S(=O)(=O)NCc2c(cc(OC)cc2)OC)C(C)(C)O	4300
+CC(C)Nc1c(Nc2ccccc2)nccc1	2392
+CC1(C)OB(OC1(C)C)c2cc(OC(C)C)cc(C(C)(C)C)c2	521
+CC(C)n1ncc2c1nc(Br)cc2C(OCC)=O	4302
+CC(C)Oc1cccc(c1)C	521
+CC(C)Oc1cccc2c(nc(nc12)C)Cl	2034
+c1c(F)c(c(cc1C=O)F)OC(C)C	521
+CC(C)n1c2ncnc(N)c2c(n1)I	4302
+COc1cc(cc(OC)c1)C(C(C)C)C#N	3795
+CC(C)Oc1ccc(cc1Br)C(OC)=O	521
+CC(C)Oc1c(Br)c(n(-c2ccccc2)c1C(OCC)=O)Br	2034
+CC(C)n1c2c(nc1)c(NCc3cccnc3)nc(F)n2	2615
+CC(C)Oc1c(Br)ccc2c1c(C)c(C(OCC)=O)o2	521
+CC(C)C#CC(=O)OCC	7772
+c1(Cl)cccc(Cl)c1-n2nnc(C(C)C)c2C(=O)OCC	7773
+CC(C)c1c(c2c(ccc(n2n1)OC)CO)C(OCc3ccccc3)=O	2169
+CC(C)(c1cccc(F)n1)C#N	4178
+c1ccccc1CC(C)(C)C#N	7774
+CC(C)C(Nc1c(cccc1)Cl)=N	4303
+CC(C)C1C(c2c(c(c3oc(cc3c2C1)C(=O)O)C)C)=O	7775
+CC(C)c1nc(-c2ccc(Cl)c(Cl)c2)c(c(n1)O)C#N	4304
+CC(C)C(CC(=O)C(=O)OCC)=O	1135
+CC1(C)c2c(I)cc(cc2N=C1C)I	7776
+CC1(C)c2cc(cnc2N=C1C)Br	7777
+CC(C)(C)OC(Cc1c(C(C)C)noc1C(C)C)=O	7778
+CC(C)c1nn(c(c1)N2CCc3nc(nc(OC)c3C2)-c4c(C)cccc4C)C	7779
+CC(C)C(=O)CC(N1Cc2c(OC)nc(-c3c(C)cccc3C)nc2CC1)=O	7780
+Clc1cccc(Cl)c1CCc2c(c(C(C)C)on2)C(=O)OC	4305
+c1c(Cl)c(c(cc1)Cl)Cc2noc(C(C)C)c2C(=O)OC	4305
+CC(C)C(C(C(=O)OCC)Cl)=O	3667
+c1cc(ccc1Cl)-c2nc(cc(O)n2)C(C)C	4306
+CC(C)c1oc(-c2cc(cnc2N)Br)nn1	3743
+CC(C)C(NNC(c1cc(ccc1)[N+]([O-])=O)=O)=O	3260
+CC(C)c1n2c(nn1)c(ccc2C)C(OC)=O	757
+CC(C)c1nnc2c(C(=O)OC)ccc(Cl)n12	757
+CC(C)c1n2cc(ccc2nn1)F	757
+CC(C)C(=O)Nc1c(cc(C(O)=O)cc1)N	6
+CC(C)C(=O)Nc1c(N)cc(C(OCC)=O)cc1	0
+CC(C)c1n(nnn1)-c2cc(C(OC)=O)cc(-c3ccc(cn3)Cl)c2	4307
+CC(C)C(Nc1c(Oc2c(cc(c(I)c2)OC)C(C)C)cnc(NC(=O)C(C)C)n1)=O	195
+CC(C)C(=O)NNc1ncc(cc1)F	355
+CC(C)C(Nc1cc2cc[nH]c2cc1)=O	33
+CC(C)C(=O)Nc1cccc(Oc2cc(F)cc(Nc3c(F)cc(cc3)I)c2C(N)=O)c1	33
+CC(C)C(c1c(cc(O)cc1)O)=O	214
+CC(C)C(NCCn1c2CCN(Cc2c3cc(ccc13)C)C)=O	9
+CC(C)c1oc2c(n1)cc(cc2-c3ccc(cc3)F)C(OC)=O	1824
+c1cc(ccc1CC(C)(C)C(=O)O)OC	7781
+c1cc(ccc1OC)N(C)c2nc(nc3c2cccc3)CNC(OC(OC(C(C)C)=O)C)=O	3837
+c1cc(ccc1-c2cnc(O)cn2)NC(C(C)C)=O	7782
+CC(C)C(=O)OC1C(Cc2c3ccccc3ccc2)COCC(NC(c4c(O)c(ccn4)OC)=O)C(=O)OC1C	1008
+CC(C)C(=O)OC1C(Cc2c3ccccc3ccc2)COCC(NC(=O)c4c(c(OC)ccn4)OC(C)=O)C(=O)OC1C	4031
+c1cc(ccc1F)CC(C)(C)C(OCC)=O	1161
+CC(C)Cc1c[nH]c2cc(ccc12)Cl	1283
+CC(C)c1noc2ccc(Br)cc12	7783
+CC(C)C(=O)c1cc(ccc1O)OC	5
+CC(C)C(=O)c1c(O)c(Cl)cc(c1)OC	196
+CC(C)C(c1ccc(cc1)CC(C(=O)CC)C(=O)OCC)=O	1251
+CC(C)C(=O)c1ccc(cc1)Cc2c(CC)nc3c(ccc(OCC(=O)OC)c3c2OC(F)F)Cl	1548
+CC(C)C(=O)c1ccc(cc1)Cc2c(OC(F)F)c3c(ccc(c3nc2CC)Cl)OCC(O)=O	4
+CC(C)C(=O)c1c(cc(cc1)OC)OCC(OCC)=O	52
+CC(C)C(c1ccc(C#N)nc1)=O	1704
+CC(C)C(Oc1cccc2c1cc(C)n2Cc3ccccc3)C(=O)OCC	289
+CC(C)C(C(=O)NC(C(=O)Nc1ccc(cc1)CO)C)NC(OCC=C)=O	33
+c1cc(ccc1I)NC(=O)C(C(C)C)C(=O)O	3503
+c1cc(ccc1-c2ccc3c(C(=O)N(C(C(=O)OC)C(C)C)C3)c2)NC(c4c(F)ccc(c4F)C)=O	50
+c1cc(ccc1-c2ocnc2)C(=O)Nc3ccc(cc3)-c4ccc5c(C(=O)N(C(C(=O)OC)C(C)C)C5)c4	3782
+CC(C)C(C(OC)=O)NC(=O)N(Cc1csc(n1)C(C)C)C	468
+c1cc(ccc1-c2ccc(cc2)CO)S(=O)(=O)NC(C(C)C)C(=O)OC	11
+CC(C)c1sc(N)nc1C(=O)OCC	7784
+CC(C)C(C(C)C)(OOC(CN=[N+]=[N-])COS(=O)(=O)C)P(O)(O)=O	7
+CC(C)C(C(C)C)(OOC(CN=[N+]=[N-])CO)P(O)(O)=O	118
+CC(C)C(C(N(CCC)C(CC(c1nc(cs1)C(=O)O)O)C(C)C)=O)NC(=O)C2N(CCCC2)C	1
+CC(C)C(C(N1C(C(=O)OCC(=O)c2cc3COc4cc5C(=O)CCCc5cc4-c3cc2)CCC1C)=O)NC(=O)OC	1231
+C1CC(=O)N(C1=O)OC(C(C(C)C)NC(=O)OCC=C)=O	884
+c1ccccc1COC(NC(C(C)C)C(C(O)=O)O)=O	101
+c1cc(ccc1-c2cc3CN(C(c3cc2)=O)C(C(OC)=O)C(C)C)N	0
+CC(C)c1scc(CN(C)C(=O)NC(C(C)C)C(=O)O)n1	4
+CC(C)c1nc(N)sc1	1102
+CC(C)c1cc(n(-c2cc3scnc3cc2)n1)N	4030
+CC(C)c1onc(c1)C(=O)OCC	3429
+CC(C)C(CN)CC(=O)Nc1cc(Cl)c(cc1)C#N	157
+CC(C)C(c1cc(C)ccc1OC)CCC(N)=O	527
+CC(C)C(CNC(c1ccc2c(C(N(C(N2CC)=O)CC)=O)c1)=O)CC(=O)Nc3ccc(C#N)c(Cl)c3	14
+CC(C)C(NCc1c(cccc1)N)CN2CCC(CC2)Cc3cc(c(Cl)cc3)Cl	0
+C1CCN1CC(C(C)C)N(C(=O)c2ccc(cc2)Cl)CC	30
+c1ccccc1COC(=O)NCCc2oc(C(C)C)cn2	7785
+CC(C)c1c2c(NC(=O)C(O2)C(C)C)ccc1	7786
+CC(C)C1COCC(=O)N1	7787
+FC(F)(F)c1c(ccc(-c2cccc(n2)CNC(CO)C(C)C)c1)F	294
+CC(C)C(C=O)N(C(=O)c1ccc(F)c(C)c1)C	24
+CC(C)C(CO)N(C)C(=O)c1ccc(F)c(C)c1	115
+c1ccccc1COC(NC(Cc2cn(CC=C)cn2)C(=O)NC(C(C)C)COCC=C)=O	9
+CC(C)C(N)Cc1cc(c(F)c(OCCCOC)c1)F	316
+CC(C)C1N=Cc2c(cc(c(F)c2F)OCCCOC)C1	2742
+CC(C)C(=O)Nc1nc(N)c(Oc2cc(I)c(cc2C(C)C)OC)cn1	784
+CC(C)C(N1CC(C)c2c1cc(C)c(O)c2C)=O	192
+CC(C)C(=O)c1c2ccc(Cl)cc2[nH]c1	432
+CC(C)C(=O)Nc1cc(cc(c1)-c2ccc(cn2)Cl)C(OC)=O	26
+FC(F)c1c(cc(cn1)CNC(=O)C(C)C)C(=O)OCC	68
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C)Cc4n[nH]c5c4cc(cc5)OC(=O)C(C)C	385
+CC(C)C(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	68
+c1cc(ccc1)-c2nc(oc2-c3cnc(NNC(=O)C(C)C)cc3)C	1296
+c1cc(ccc1C#N)-c2cncc3C(CCCc23)NC(=O)C(C)C	68
+c1cc(ccc1C)-c2cc(cc(NC(=O)C(C)C)c2)C(=O)OC	26
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(=O)OC)NC(C(C)C)=O	26
+CC(C)C(OC(CC)COc1ccc(cc1)CC)=O	204
+CC(C)C(=O)c1cc(OC)ccc1OC	94
+CC(C)c1nnc2ccc(Cl)nn12	7788
+CC(C)c1n(Cc2ccccc2)c3cc(ccc3c1C(NCc4cc(F)c(cc4)F)=O)OC(C(C)C)=O	385
+CC(C)C(=O)N(Cc1c2ccccc2nc(O)c1)c3ccccc3	192
+C1CC(CCC1)Cn2c3c(cc(cc3)NS(=O)(=O)c4ccccc4)nc2C(C)C	849
+FC(F)Oc1ccc2nc(C(=O)NC(C(N)=O)(C(C)C)C)c(cc2c1)C(=O)O	7789
+Fc1cccc(F)c1S(=O)(=O)Nc2c(ccc(-c3nc(sc3-c4nc(Cl)ncc4)C(C)C)c2)F	873
+CC(C)c1nc(-c2cccc(NC(=O)OCC=C)c2)c(s1)-c3nc(ncc3)Cl	873
+c1c(F)c(c(cc1)F)C(=O)Nc2cccc(-c3c(sc(C(C)C)n3)-c4ccnc(n4)Cl)c2	873
+CC(C)C(N)CN1CCC1	15
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(=O)Nc4c(C(O)=O)c(ccc4)C)C(C)C	1403
+c1cc-2c(cc1)C(c3ccccc-23)C(NCC(NC(C(=O)Nc4cccc(c4C(O)=O)C)C(C)C)=O)=O	207
+CC(C)C(NC(=O)CCCCCCCCCCC)C(=O)O	726
+FC(F)(F)c1ccc(cc1)NC(C(=O)O)C(C)C	7790
+CC(C)C(C(O)=O)NC(OCC=C)=O	544
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C(=O)O	544
+c1cc(ccc1F)S(=O)(=O)NC(C(=O)O)C(C)C	592
+c1cc(ccc1-c2ccc3CN(C(=O)c3c2)C(C(=O)OC)C(C)C)[N+]([O-])=O	1880
+CC(C)C(C(=O)OC)NC(Oc1ccc(cc1)[N+]([O-])=O)=O	544
+c1cc(ccc1[N+]([O-])=O)-c2cc(C)c(C(=O)NC(C(OC)=O)C(C)C)cc2	259
+CC(C)C(NC(=O)Oc1ccccc1)C(=O)OC	544
+CC(C)C(Cc1cc(F)c(c(OCCCOC)c1)F)NC=O	707
+CC(C)C(N1CC(c2c1cc(c(OC)c2C)C)C)=O	65
+CC(C)C(N1CCC(CC1)CBr)=S	199
+C1CN(CCC1Oc2c(c(N)ccc2)C#N)C(C(C)C)=O	57
+CC(C)C(C(=O)O)N1CCCCC1=O	4
+FC1(F)CC(CC1)NC(=O)C(N2Cc3c(F)cnc4[nH]cc(C2=O)c34)C(C)C	9
+CC(C)C(C(N1C(C)CCC1C(O)=O)=O)NC(=O)OC	3
+C1COC2(O1)CN(C(C(=O)OC)C2)C(=O)C(C(C)C)NC(=O)OC	381
+CC(C)C(NC(=O)OC)C(N1CC2(OCCO2)CC1C(NCC(c3ccc(cc3)Br)=O)=O)=O	612
+c1cc(ccc1-c2nc([nH]c2)C3N(C(C(NC(=O)OC)C(C)C)=O)CC(C)C3)Br	10
+c1cc(ccc1Cl)-c2cccc(NC(=O)C3CCCN3C(=O)C(NC(=O)OC)C(C)C)c2	348
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)OC2CCC(CC2)C(=O)OCI	7791
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)OC2CCC(CC2)C(=O)OCCl	7792
+CC(C)C(C(OC)=O)NC(N(C)Cc1ncccc1)=O	437
+CC(C)C(N1CCCCC1=O)C(OC)=O	7793
+CC(C)C(NC1CCCCC1Oc2cccc(N)c2C#N)=O	57
+CC(C)C(NCCCOc1cc2c(cc1)c3c(c(n2)N)nc(CCO)n3CCC)=O	88
+CC(C)C(NCc1c(c(Cl)cnc1)CO)=O	168
+CC(C)c1nnc(-c2cc(ccc2)[N+]([O-])=O)o1	877
+CC(C)c1nc2c([nH]1)c(Cl)ccc2	7794
+CC(C)C1(CCN(C(O1)=O)C(c2ccc(cc2)Br)C)CC(=C)C	7795
+CC(C)n1cnc2c(nc(NC(CC)C(C(C)C)O)nc12)NCc3cccnc3	1333
+CC(C)C(O)CNC(CCNC(=O)OCc1ccccc1)=O	9
+CC(C)C(CNC(CCNC(=O)OCc1ccccc1)=O)=O	86
+CC(C)C(=O)c1cc(Br)ccc1O	155
+CC(C)C(c1cc(C)c(cc1OCC(=O)OCC)OC)O	52
+CC(C)C(=O)c1cnc(cc1)Br	716
+CC(C)C(=O)NCCN	248
+c1ccccc1CCCCCCC(C)(C)C(OC)=O	3675
+CC(C)Cc1c(O)cc(cc1)O	165
+CC(C)C(=O)c1ccc(cc1O)OC	65
+CC(C)C(c1cc(C)ccc1OC)CCC(=O)O	4308
+CC1(C)C(Nc2c(C(OC)=O)cc(cc2C1O)Cl)c3cccc(c3)Br	7796
+CC(C)C(c1cc(c(NC)cc1)[N+](=O)[O-])=O	205
+CC(C)C(c1ccc(c(c1)[N+]([O-])=O)NC)n2cncc2	4309
+CC(C)C(c1cc([N+]([O-])=O)c(cc1)NC)O	74
+CC(C)c1c2cc(ccc2[nH]n1)O	4310
+CC(C)C(=O)c1ccc(cc1)Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O	2175
+FC(F)(F)c1[nH]c2c3c(C(C(=C(C(C)C)O3)c4ccc(cc4)Cl)=O)ccc2n1	1640
+CC(C)C=1Oc2c3c(ccc2C(=O)C=1c4ccc(cc4)Cl)[nH]cn3	631
+CC(C)c1c(nc(SC)nc1O)C	4311
+CC(C)C1=CCC(C)(C)c2c(c(c(cc12)C(C)=C(F)C=CC(C)=CC(=O)OCC)OC(C)C)Br	7797
+CC(C)C1=CCC(C)(C)c2c(c(c(cc12)C(=C(F)C=CC(=CC(=O)O)C)C)OC(C)C)Br	108
+CC(C)C1=CCC(C)(C)c2c(Br)c(OC(C)C)c(C(C)=C(C=O)F)cc12	4312
+CC(C)C1=CCC(C)(C)c2c1cc(C(=C(CO)F)C)c(c2Br)OC(C)C	4313
+FC(F)(F)Oc1ccc(cc1-c2cc3c(C(C)(C)CC=C3C(C)C)cc2C)C=O	11
+CC(C)C=1N(c2ccc(cc2)Cl)C(c3ccc(cc3N=1)N)=O	0
+CC(C)C1Oc2c(N(CC(O)=O)C1=O)cccc2C(C)C	4
+CC(C)C1C(CC(CC1)C)C(=O)NCCc2ccccc2C#N	180
+CC(C)C1CCC(CC1C(Cl)=O)C	130
+c1ccccc1C=2N(C(=O)C(N(C(C)=O)C=2)C(C)C)CC(O)=O	3
+CC(C)C1C2C3C(C1CC2)CCCC3NC(=O)c4c(F)n(nc4C(F)F)C	4314
+CC(C)C1CCCC(C1)C(C)C(C=O)C	7798
+C1CN(CCC1C(O)=O)Cc2cc3ccc(OC4CCC(CC4)C(C)C)cc3cc2	3
+c1cc(ccc1)C(O)CNC(C2C(CCC(C)C2)C(C)C)=O	68
+CC(C)C1CN(c2nnc(N)cc2)CCN1C(=S)Nc3cccc4c3cccn4	1366
+CC(C)C1COC(=O)N1c2nc(ncc2)NC(c3ccc(cc3)CO)C	1333
+c1cc(ccc1C(Nc2nccc(N3C(COC3=O)C(C)C)n2)C)C=O	39
+CC(C)C1COCCN1	15
+CC(C)C1N2C(c3c(cc(OCCCOC)c(F)c3F)C1)CC(=O)C(=C2)C(=O)OCC	2745
+c1cc(ccc1)CN2C(C)(C)C(NC(C2)C(C)C)=O	1330
+c1cc(ccc1CNc2ccc(nn2)N3CCNC(C(C)C)C3)OC	232
+CC(C)C1NCCN(c2ccc(nn2)Cl)C1	212
+c1cc(ccc1CN2CC(OCC2)C(C)C)Br	131
+c1cc(ccc1OC)CNc2cc(cc(F)c2)CN3C(C(=O)c4cc(C#N)cc(c4)C)=C(C(C)C)C(=O)NC3=O	7799
+CC(C)c1c(C)nc2ccnn2c1Cl	7800
+CC(C)c1cc(O)cc(O)n1	4315
+CC(C)C1=C(C(=O)c2c(c(c(N)cc2)N)O1)c3ccc(cc3)Cl	0
+CC(C)C=1Oc2c(C(=O)C=1c3ccc(cc3)Cl)ccc(NC(OCc4ccccc4)=O)c2Br	7801
+CC(C)C=1Oc2c(C(C=1c3ccc(cc3)Cl)=O)ccc(N)c2[N+]([O-])=O	4316
+CC(C)C=1Oc2c(c(ccc2C(=O)C=1c3ccc(cc3)Cl)NCc4ccc(cc4)OC)[N+]([O-])=O	7802
+CC(C)C=C(c1ccc(cc1)S(=O)(=O)CCOC)c2cc3c(n2S(=O)(=O)c4ccccc4)ncc(F)c3	7803
+C1CN(CCN1CC(C)C)c2ccccc2C3=CC(C)(C)C(C)(C)C3	61
+CC(C)C(c1cc(Cl)cc(C(OC)=O)c1N=Cc2cc(Br)ccc2)O	1512
+FC(F)(F)c1c(C(C(C)C)O)c(ncc1)Cl	1831
+CC(C)(C=O)CCC#N	7804
+CC(C)CNc1cc(ccc1NC(=O)COc2cc(ccc2)OCC)O	291
+CC(C)CNc1ccc(C)cc1C	291
+CC(C)C(O)c1ccc(Br)nc1	7805
+c1cc(ccc1C#N)-n2c3c(c(NCC(C)C)ccc3)nc2	839
+c1cc(ccc1C(=O)NC)-n2cc3c(CCN(CC(C)C)CC3)n2	61
+CC1(C)C(Nc2ccc(cc2C1O)C(=O)OCC)c3c(C)ccc(F)c3	2894
+CC1(C)C(O)c2c(ccc(C(=O)OCC)c2)NC1c3cccc(c3)Br	2894
+O=S(=O)(c1cc2C(C(C)(C)C(Nc2cc1)c3cc(ccc3)[N+](=O)[O-])O)C	2894
+CC(C)CC1CSC(=Nc2c(C)cc(cc2)Cl)N1CC(C)C	7806
+CC(C)COc1cc(ccc1)OCc2nc3ccccc3n2CC(C)C	656
+CC(C)CN1C(N(CC1)c2nc(c(s2)C(OCC)=O)C)=O	1794
+C[Si](C)(C)CCOCn1c2C(N(C(Cl)=Nc2nc1C3CCCC3)CC(C)C)=O	7807
+CC(C)COc1c(cc(Cl)cc1)C	8
+CC(C)COc1c(cc(Cl)cc1)Cc2oc(C(=O)OCC)cc2	8
+CC(C)CON=C(C(=O)C)C(OCC)=O	1071
+CC(C)COc1c(OC)c(OCC)ccc1-c2ccc3C(=O)OCc3c2	8
+CC(C)COc1cc(OCC)cc(CO)c1	8
+CC(C)COc1cc(ccc1)O	8
+CC(C)Cn1c2c(cc(cc2)OC)cn1	1090
+CC(C)COc1ccc(Br)cc1C#N	8
+CC(C)Cn1c2cc(Cl)cc(c2c3c1cccc3)C	935
+CC(C)COC(c1cc(ccc1)-n2c3ccc(cc3cn2)I)=O	1908
+c1ccccc1C2(c3ccccc3)CCCN(C2=O)Cc4onc(-c5ccc(cc5)OCC(C)C)n4	8
+CC(C)CC(=CCCC(CC)=CCOc1cc2c(OCO2)cc1)C	2888
+c1cc(ccc1F)-c2nc(CC(=O)OCC)c(CC(C)C)o2	7808
+CC(C)CC(CCC)N	316
+c1cc(ccc1C(=O)NCC(CC(C)C)=O)F	2895
+Cc1nc(nc(C)c1)NCCCCCN(C(=O)CCCCCCCCCCCCC)CCCNC(=O)CC(C)C	68
+c1(nc(nc(N)c1NC(CC(C)C)=O)-n2nc(Sc3ccccc3F)c4c2cccc4)N	1616
+CC(C)CC(=O)N1CC(CCC1)COc2c(C#N)c(ccc2)[N+](=O)[O-]	58
+CC(C)CC(c1c2c(sc1-c3ccc4c(Br)c(ccc4c3)OCC#N)cccc2)=O	1487
+CC(C)CC(=O)c1cc2cc(oc2c(C)c1C)C(=O)O	94
+CC(C)CC(Nc1c(C(=O)N)nc2ccccc2n1)=O	1841
+CC(C)CC(=O)N1CC(COc2c(C#N)c(N)ccc2)CCC1	0
+O=S(=O)(N)Nc1cccc(OCC2CN(C(CC(C)C)=O)CCC2)c1C#N	1630
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NC(CC(C)C)c3ccc(C(=O)OC)cn3	7809
+CC(C)Cc1scc(C(OCC)=O)n1	4317
+c1ccccc1C(c2cc(c(cc2O)OC(CC(C)C)C)C(C)(C)CC)=O	521
+O=S(=O)(N1C(CSCC1)CCNC(=O)C(NC(=O)c2cc3ccccc3s2)CC(C)C)c4c(cc(cc4)Cl)Cl	92
+CC(C)CC(C(=O)Nc1nn(cc1)CC(CO)O)N2C(=O)C=C(C2)Oc3c(c(OCC)ccc3F)F	265
+CC(C)CC(C(O)=O)C(O)=O	3
+CC(C)CC(C(=O)Nc1ccn(CC2OC(C)(C)OC2)n1)N3C(=O)C=C(C3)Oc4c(c(OCC)ccc4F)F	142
+c1ccccc1C2C=CCC(NC(=O)C(NC(=O)C(O)CC(C)C)CC(C)C)C(=O)N2CCOC	207
+CC(C)CC(C(=O)NCC#N)NCc1ccc(cc1)Br	9
+CC(C)CC(C(O)=O)Nc1c(F)c2CN(Cc3ccc(OC)cc3OC)C(=O)c2c(Cl)n1	4
+CC(C)CC(C(O)=O)c1c(cc([N+]([O-])=O)c(F)c1)F	3
+CC(C)CC(c1nc(sc1)-c2ccccc2)C(=O)O	3
+c1cc(ccc1)COC(C(CC(C)C)C(=O)OCC=C)C(=O)OC	1907
+CC(C)CC(C(=O)OCC)c1csc(-c2ccccc2)n1	7810
+CC(C)CC(CC(=O)NOCc1ccccc1)C(NC2Cc3c4c(cccc4)n(c3)CCCCCCNC2=O)=O	293
+c1ccccc1COC(N2CCCC(NC(C(NC(c3cc4c(cccc4)o3)=O)CC(C)C)=O)C(O)C2)=O	1585
+O=S(=O)(N1CC(CNC(C(CC(C)C)NC(c2cc3ccccc3s2)=O)=O)C(O)C1)c4ccc(cc4Cl)F	92
+CC(C)CC(C(=O)Nc1ccc(-c2ocnc2)c(c1)OC)Br	33
+CC(C)CC(=C)C(O)=O	3620
+O(C)C(OC)CNC(=O)C(CC(C)C)CSC(C)=O	9
+CC(C)CC(O)C(=O)O	2631
+CC(C)CC(Nc1ccc(cc1)Br)C(O)=O	2012
+CC(C)CC(NC(=O)c1cc2ccccc2s1)C(NCCCC(NS(=O)(=O)c3c(cc(cc3)F)Cl)CO)=O	9
+CC(C)CC(NC(=O)c1cc2ccccc2s1)C(NCCCN(S(=O)(=O)c3ccccc3[N+]([O-])=O)C)=O	9
+CC(C)CC(Nc1c(c2c(c(-c3cnn(C)c3)n1)C(N(Cc4ccc(OC)cc4OC)C2)=O)F)C(O)=O	1396
+CC(C)CC(C(=O)OCC)c1cc(c([N+]([O-])=O)cc1F)F	27
+CC(C)CC(NC(OCc1ccccc1)=O)C(CC(=O)NC(C)C(NC(C(O)CC(=O)OC)CC(C)C)=O)O	9
+CC(C)CC(C(O)=O)C(CCC)O	4
+c1cc(ccc1)CCC(C(NC)=O)NC(=O)CC(CC(C)C)C(OC)=O	207
+Fc1cccc(F)c1COc2cccn3c2nc(C)c3C(=O)NCC(CC(C)C)(N)C	312
+CC(C)CC(C)NCCCCCCCCCCCC	87
+CC(C)CC(C)Nc1ccc(cc1)OCC	231
+c1ccccc1COC(=O)NC(C=C)CC(C)C	4318
+CC(C)CC(CC(=O)NO)C(=O)NC1Cc2c3c(cccc3)n(c2)CCCCCCNC1=O	1697
+CC(C)CC(CCC)NC(=O)c1cc(C)c(OC)cc1	14
+CC(C)CC1CSC(=Nc2c(cc(cc2)Cl)C)N1	7811
+CC(C)CC(CO)Nc1c2cc(cn2ncc1C(=O)N)Br	719
+CC(C)CC(CO)NC(c1cc(Br)c(Cl)nc1)=O	56
+CC1(C)OCC(CC(C)C)N1C(c2cc(Br)c(nc2)Cl)=O	7812
+CC(C)CC(CO)Nc1c(cnn2cc(cc12)-c3cc(N(C)C)ccc3)C(=O)N	550
+CC(C)CC(C(=O)NC)NC(C(CC(C)C)CP(CN1C(CCCC1=O)=O)(=O)O)=O	228
+CC(C)CC(Cc1c(cccc1)Br)C(NCC#N)=O	9
+c1cc(ccc1F)Cc2c(C3CC3)ccc(n2)C(NC(C(N)=O)CC(C)C)=O	712
+CC(C)CC(NC(C(O)CC(C)C)=O)C(OC)=O	188
+CC(C)CC(C(=O)OC)NC(=O)c1c(cc([N+]([O-])=O)cc1)-c2c(C)cccc2	259
+FC(F)(F)c1cccc2c1CN(C2=O)C(C(OC)=O)CC(C)C	1880
+CC(C)CC(N1CC(=CC1=O)Oc2c(c(OCC)ccc2F)F)C(=O)OC	2546
+CC(C)CC(N1C(=O)C=C(Oc2cccc3c2cccc3)C1)C(=O)OC	2546
+c1cc(ccc1Br)CNC(CC(C)C)C(OC)=O	1528
+c1ccccc1COC(NC(C(NC(CC(C)C)C(=O)OC)=O)CC(=O)N)=O	188
+CC(C)CC(N1CC(=CC1=O)Oc2cccc3c2cccc3)C(=O)O	4
+CC(C)CC(C(=O)O)N1C(=O)C=C(Oc2c(c(OCC)ccc2F)F)C1	4
+CC1(C)OC(CO1)Cn2nc(cc2)NC(=O)C(N3CC(=CC3=O)Oc4cccc5c4cccc5)CC(C)C	142
+C1CC1c2nc(-c3cc(NC(=O)NCC)ncc3-c4ccc5c(c4)C(=O)C(C(=O)OCC)=CN5C(CC(C)C)CO)sc2	1617
+CC(C)CC(C(NN(C(=O)C(O)(C)C(=O)OCC)C)=O)NC(C(C)NC(C(C)NC(C)=O)=O)=O	1038
+O=S(=O)(c1ccc(cc1Cl)C#N)N(CCCNC(=O)C(NC(=O)c2cc3ccccc3s2)CC(C)C)C	92
+c1ccccc1COC(NC(CC#C)C(=O)NC(CC(C)C)C(=O)OC)=O	1403
+CC(C)CC(C(=O)O)NC(C(CC(C)C)O)=O	4
+CC(C)CC(C(O)CC(=O)OC)NC(C(NC(CC(C(N)CC(C)C)O)=O)C)=O	102
+O=S(=O)(c1cnccc1)N2CC(C(NC(=O)C(NC(c3cc4c(cccc4)o3)=O)CC(C)C)CCC2)O	1027
+c1ccccc1C(=O)N2CCCC(NC(C(NC(c3cc4c(cccc4)o3)=O)CC(C)C)=O)C(C2)O	30
+CC(C)Cc1nc(c2nc3ccccc3nc2n1)O	7813
+CC(C)CC(Nc1c(F)c2c(c(-c3cnn(C)c3)n1)C(NC2)=O)C(NC)=O	4319
+CC(C)CC(Nc1c(F)c2CN(Cc3ccc(OC)cc3OC)C(=O)c2c(n1)-c4cnn(C)c4)C(=O)NC	9
+CC(C)CC(C(=O)NCC#N)Nc1ccc(cc1)Br	9
+O=S(=O)(n1c2ccc(-c3nnc(o3)CC(C)C)cc2c(I)c1)c4ccc(cc4)C	7814
+c1ccccc1C(CC(C)C)=O	214
+c1ccccc1COC(C(CC(C)C)O)=O	1699
+CC(C)CC(Sc1ccc(cc1)Br)c2ccc(cc2)C(=O)O	1
+FC(F)(F)Oc1ccc(cc1)-c2ccc(cc2)SC(c3ccc(cc3)C(NCCC(=O)OC)=O)CC(C)C	11
+FC(F)(F)C(F)(F)c1ccc(N)c(C(CC(C)C)C)c1	7815
+CC(C)CC(c1c2c(sc1-c3cc4ccc(c(c4cc3)Br)OCc5[nH]nnn5)cccc2)=O	420
+CC(C)Cc1c2c(n[nH]1)ccc(c2)O	4310
+FC(F)(F)c1ccc(cc1)-c2cc(C(C(=O)OCC)CC(C)C)ccc2OCC	11
+CC(C)CC(c1cc(c(OCC)cc1)Br)C(=O)OCC	116
+CC(C)CC(c1c(N)ccc(I)c1)C	184
+CC(C)CC(c1csc(n1)-c2ccccc2)C(=O)NCC#N	9
+c1cc(ccc1OCC2(CC(C)C)Oc3c(c(C)c(OC(C)=O)c(C)c3C(=O)C2)C)N	0
+CC(C)CC12CC1CC(C(C)O)C(C2)C	4320
+CC(C)CC1C(N(CC(c2c1ccc(c2)Cl)c3c(cccc3)Br)CC(=O)O)=O	3
+CC(C)CC1C(N(CC(N2CCC(CC2)CC(O)=O)=O)CC(c3ccccc3Cl)c4cc(Cl)ccc14)=O	3
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(=O)N3CCC(CC3)C(=O)O)c4c(cccc4)Br	3
+CC(C)CC1C(N(CC(c2cc(Cl)ccc12)c3c(cccc3)Cl)CC(=O)O)=O	3
+CC(C)CC1=CCC(C(O)C)C(C1)C	2700
+CC(C)CC=CC(=O)Cl	7816
+CC(C)CCNCc1cccc2c(cccc12)OC	110
+c1cc(ccc1[N+]([O-])=O)CN(C2CCN(CC2)CCC(C)C)C(=O)c3ccc(cc3)CCCCC	61
+c1cc(ccc1)S(=O)(=O)n2c(cc3cc(cnc23)F)C(CC(C)C)O	7817
+FC(F)(F)C(c1cn(CCC(C)C)c2c1ccc(Cl)c2)=O	339
+CC(C)CCOc1ccc(N)c(c1)[N+](=O)[O-]	8
+CC(C)CCN1C(C(CC(=O)OC)Cc2ccccc12)=O	988
+CC(C)CCN1c2c(C3(COc4c3cc(F)c(F)c4)C1=O)cccc2	988
+CC(C)CCC(C(O)C)CO	95
+CC(C)CCCC(CC(C)=O)C	86
+CC(C)CCCC(C)CC(C)O	684
+c1cc(ccc1C)S(=O)(=O)OCCCC=C(CCCC(CCCC(C)C)C)C	36
+CC(C)CCCC(CCCC(=CCCCO)C)C	95
+CC(C)CCCC(CCOCCCCn1cncc1)C	541
+c1c(F)c(c(cc1OCCC(C)C)F)-c2c(C(=O)c3ccc(cc3Cl)F)c(nn2C)C	116
+CC(C)CCNCc1cc(F)c(Oc2cc3c(cc2)C(OC(C)(C)O3)=O)cc1	42
+FC(F)(F)c1ccc(cc1C(N2CCN(CC2)c3ccc4nc(C(=O)NCCC(C)C)cn4n3)=O)F	2588
+CC(C)CCNC(CN1C=CC=C(C1=O)NC(=O)OCc2ccccc2)=O	9
+c1cc(ccc1)OC(NCCC(C)C)=O	101
+CC(C)CCN1C2C(C3CCC2C3)C(O)=C(C4=NS(=O)(=O)c5cc(ccc5N4)NS(=O)(=O)C)C1=O	7818
+CC(C)CCN(CCC(C)C)C(=O)c1ccc(c(c1)NCCCN2CCCCC2)N	0
+CC(C)CCN1C(=O)C(=C(O)c2n1cc(F)c2)C=3NS(=O)(=O)c4cc(ccc4N=3)NS(=O)(=O)C	7819
+CC(C)CCN1C(=O)C(=C(O)c2n1cc(F)c2)C=3NS(=O)(=O)c4cc(I)ccc4N=3	4321
+O=S1(=O)c2cc(Cl)ccc2NC(=N1)C3=C(c4c(cccc4)N(CCC(C)C)C3=O)O	7820
+CC(C)CCN1C(C(C=2NS(=O)(=O)c3cc(ccc3N=2)NS(=O)(=O)C)=C(O)c4cc(cn14)C#N)=O	4321
+CC(C)CCN1c2ccccc2CC(C1=O)CC(=O)NO	909
+CC(C)CCN1C2C(C3CCC2C3)C(=C(C=4Nc5c(S(=O)(=O)N=4)cc(cc5)N(S(=O)(=O)C)C)C1=O)O	418
+FC(F)(F)CC(C(=O)N1CCN(CC1)c2nnc(cc2)C(=O)NCCC(C)C)C	10
+c1ccccc1OC(=O)Nc2cc(ccn2)Oc3cc4c(cc3)n(C(NCCC(C)C)=O)cc4	278
+FC(F)(F)c1ccc(cc1)-c2nc(sc2)NCCC(C)C	354
+CC(C)CCNC(=O)CN1C=CC=C(N)C1=O	1849
+CC(C)CCNC1CC2(C(CCC2C3C1C4(CC(O)C(O)CC4CC3)C)C(OC)=O)C	7821
+CC(C)CCN(Cc1nc2n(cccc2)c1Cc3c(O)ccc(Br)c3)C(c4c(Cl)c(OC)c(cc4)OC)=O	115
+CC(C)CCNCc1c2c(c(ccc2)Oc3ccc(cn3)C#N)ccc1	136
+CC(C)CCNCc1c2cccc(O)c2ccc1	5
+CC(C)CCNCc1c(n2c(n1)cccc2)Cc3cc(ccc3O)Br	5
+c1cccc2nn(nc12)-c3cc(C)cc(c3O)COCCC(C)C	555
+c1(c2c(ccc1O)cccc2)N=Nc3ncccc3OCCC	7822
+c1(cc2c(cc1Br)cnn2C(=O)C)F	4322
+C(=O)(C)n1ncc2c1ccc(c2CC)Br	4322
+c1cc(cc(c1Oc2cc3c[nH]nc3cc2)C#N)F	4323
+c1([N+]([O-])=O)ccc(Oc2cc3c[nH]nc3cc2)nc1	4323
+c1cc(ccc1C(=NO)C#N)F	7823
+CC(C)CCOc1ccc(c(c1)N)NC(COc2cccc(c2)OC)=O	0
+CC(C)CCOc1cc([N+]([O-])=O)c(NC(=O)COc2cccc(c2)OC)cc1	26
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(ccc(OCC(N(CC)CC)=O)c2)CCC(NS(=O)(=O)CCC(C)C)=O	344
+CC(C)CCS(=O)CCCCCCl	441
+c1ccccc1C=CCN2CCC(CC2)NC3=CC(Oc4ccc(cc34)CCC(C)C)=O	4324
+CC(C)CCn1c2cccc(CCl)c2nc1CN3C(=O)N(C(C)C)c4ccccc34	1045
+CC(C)CCn1c(CCl)nc2c1ccc(C(=O)OC)c2	2176
+CC(C)CCn1c(CO)nc2cc(C(=O)OC)ccc12	47
+CC(C)CCn1c(nc2cc(ccc12)C#N)CN3C(N(c4ccccc34)C(C)C)=O	2597
+CC(C)CCn1c2ccc(C(=O)O)cc2nc1CN3C(N(c4ccccc34)C(C)C)=O	872
+CC(C)CCn1c(CN2C(=O)N(C(C)C)c3ccccc23)nc4c(CO)cccc14	295
+CC(C)CCn1c2c(cc(C(N(C)C)=O)cc2)nc1CN3C(N(c4ccccc34)C(C)C)=O	30
+CC(C)CCn1c2c(nc1CN3C(=O)N(C(C)C)c4ccccc34)c(ccc2)CCN	51
+CC(C)CCn1c2cccc(CC#N)c2nc1CN3c4ccccc4N(C3=O)C(C)C	1716
+CC(C)CN1C(Cl)=CC(N(C1=O)C)=O	7824
+CC(C)CN1C(OC(=O)c2ccccc12)=O	4325
+CC(C)CC1C(=O)N(CC(=O)OCC)CC(c2cc(ccc12)Cl)c3c(cccc3)Br	4326
+CC(C)CC1c2ccc(Cl)cc2C(c3c(cccc3)Cl)CN(CC(=O)OCC)C1=O	4326
+c1cc(ccc1F)-c2n(nc(C(=O)OCC)c2)CC(C)C	1717
+CC(C)CN1c2c(ncn2C3OCCCC3)-c4nncn4C1=O	7825
+CC(C)CNc1ccc(C)cc1C	205
+CC(C)CNC(Nc1cc(nn1C)C(=O)OC)=O	7826
+Clc1cccc(Cl)c1COc2ccc3c(cc(C(NCC(C)C)=O)n3CCCC#N)c2	81
+CC(C)CNc1c(cnc(Cl)n1)Br	40
+CC(C)CNCc1sc(nc1)Br	7827
+CC(C)CN1C(=S)NC=C1CO	4327
+CC(C)CN1C(=O)Cc2cc([N+]([O-])=O)ccc12	1611
+CC(C)CNc1c([N+](=O)[O-])cc(cc1)C(=O)C	60
+CC(C)(C(NCC(C)C)=O)c1ccc(cc1)-c2cc(cnc2)COC	9
+CC(C)CNC(=O)c1c(nccc1)Oc2ccc(cc2)Nc3ccccn3	2896
+CC(C)CNS(=O)(=O)c1ccc(cc1)OC	71
+CC(C)Cc1c2c(cccc2)ncc1[N+](=O)[O-]	7828
+CC(C)CNCc1cc2[nH]c(-c3c(OC(C)C)ccc(OCc4ccccc4)c3)nc2nc1	249
+CC(C)CNc1c2n(c3c(cccc3)n1)c(Br)cn2	3829
+CC(C)CNCc1oc(cc1)Br	3887
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc(c(c1)NCCCN2CCCCC2)N)=O	0
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc(c(NCCCN(C)C)c1)N)=O	0
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc([N+](=O)[O-])c(c1)NCCCN(C)C)=O	205
+CC(C)CN(CC(C)C)c1c(cc(-c2c(-c3[nH]nnn3)cccc2)cc1)NC(=O)Nc4ccc(cc4)C	11
+CC(C)CN(CC(C)C)c1ccc(cc1[N+](=O)[O-])C(C(F)(F)F)O	714
+CC(C)CN(CC(C)C)c1ccc(cc1N)Br	0
+CC(C)CN(CC(C)C)c1c(cc(cc1)C2(CC2)C(O)=O)[N+]([O-])=O	270
+CC(C)CN(CC(C)C)c1c(cc(Br)cc1)NC(=O)Nc2ccc(cc2)C	124
+CC(C)CN(CC(C)C)c1c([N+]([O-])=O)cc(cc1)C(=O)C(F)(F)F	2177
+CC(C)CN(CCCCC(OC)=O)c1c(C=O)cc(cc1)Br	325
+CC(C)CN1c2ccc(cc2C=C(C(OC)=O)CCC1)Br	2897
+CC(C)CN1C(NN)=CC(=O)NC1=O	2592
+CC(C)CN1C(=O)C(C(=O)N(CC(C)C)C1=O)C(=O)NCC(=O)O	3
+CC(C)CN1C(=O)Cc2cc(ccc12)N	0
+CC(C)CN1c2c(CC1=O)cc(cc2)NCC(O)C(OC)=O	1967
+CC(C)CN1C(=O)N(C)C(=O)c2c(-c3n(cc(c3)C(NOC)=O)C)n(Cc4c[nH]c5ccc(cc45)C)nc12	1546
+CC(C)CN1C(N(N=C1c2scc(c2Cl)C)CC(O)=O)=O	3
+CC(C)CN1C(=O)N(c2sc(C(N)=O)c(C)n2)CC1	4328
+CC(C)CN1C(N(CC1)c2nc(c(C(=O)NCc3ccn(C)n3)s2)C)=O	454
+CC(C)Cn1cncc1CO	4329
+CC(C)CN1CCCCC1CN	15
+CC(C)CN1N=C(c2cc(c(cc2)C)F)C=C(C1=O)COS(=O)(=O)C	2178
+CC(C)CN1C(Cc2cc(N3CC(OC3=O)C(=O)NC)ccc12)=O	248
+CC(C)CN1C(NN)=CC(=O)N(C1=O)C	2592
+CC(C)CN1C(=O)N(c2sc(c(n2)C)C(O)=O)CC1	6
+FC(F)(F)c1cccc(c1)CNC(CN2N=C(N(CC(C)C)C2=O)c3c(c(cs3)C)Cl)=O	9
+CC(C)CN1C(=O)N(Cc2ncccc2)C(=O)c3c1nn(Cc4c5c(cccc5)sc4)c3-c6cccn6C	7829
+CC(C)CN1c2nn(c(c2C(=O)N(C)C1=O)-c3cc(cn3C)C(=O)OC)Cc4c5c(cccc5)ccc4	4330
+CC(C)CN1C(=O)N(C)C(=O)c2c(-c3cc(cn3C)C(=O)O)n(Cc4c[nH]c5ccc(cc45)C)nc12	3751
+CC(C)CN1c2nn(Cc3ccnc4ccc(cc34)Cl)c(-c5n(C)ccc5)c2C(NC1=O)=O	4330
+CC(C)CN1C(NC(=O)c2c1nn(Cc3c4c(cccc4)sc3)c2-c5cccn5C)=O	7830
+CC(C)CN1C(=O)N(N=C1c2scc(c2Cl)C)CC(=O)OCC	7831
+c1cc(ccc1C)C=2C=C(C(=O)N(CC(C)C)N=2)COS(=O)(=O)C	1191
+CC(C)CN1C(Cc2cc(ccc12)N3C(=O)OC(C(OC)=O)C3)=O	7832
+CC(C)CN1C(=O)n2cnnc2-c3nc[nH]c13	7833
+c1cc(ccc1OCCOCCCC)-c2cc3c(cc2)N(CC(C)C)CCCC(C(=O)OC)=C3	750
+CC(C)CN1C(=O)C(C(=O)NNC(=O)CCCCCCCCCCC)=C(c2c1cccc2)O	7834
+CC(C)CNC(=O)NNC(=O)c1scc(C)c1Cl	7835
+CC(C)CNC(Nc1cccc(N)c1)=S	2898
+c1cc(ccc1-c2cc(C(N(C)CC(C)C)=O)cc(c2)C(=O)OCC)C	30
+CC(C)CN1C(c2scc(c2Cl)C)=NNC1=O	7836
+c1cc(ccc1Cl)C2(CC2)C(=O)N3C(C(=O)NC(C(C(=O)NCC(C)C)=O)CC)CC(S(=O)(=O)c4ccccc4Cl)C3	612
+CC(C)CN1C(=O)CC(N(CC(C)C)C1=O)=O	7837
+CC(C)CNC(Nc1n(nc(C(=O)O)c1)C)=O	1
+CC(C)CNC(=S)Nc1cc(NC(=O)Nc2ccc(cc2)Cl)ccc1	124
+CC(C)CN(CC(C)C)c1ccc(CC#N)cc1[N+](=O)[O-]	34
+CC(C)CN(CC(C)C)c1c(cc(C=O)cc1)[N+](=O)[O-]	34
+CC(C)CN(CC(C)C)c1ccc(Br)cc1[N+](=O)[O-]	34
+CC(C)CNCc1sc(-c2cccc(S(=O)(=O)C)c2)cc1	268
+CC(C)CN(C(=O)c1nc(ccc1)F)Cc2c(c3n(ncn3)cn2)CCC	147
+O=S(=O)(N(CC(C)C)Cc1oc(Br)cc1)c2c(cccc2)Cl	92
+O=S(=O)(N(CC(C)C)Cc1sc(cc1)-c2cc(S(=O)(=O)C)ccc2)c3c(C)ccc(c3)F	92
+O=S(=O)(Cc1ccccc1)N(Cc2cnc(Br)s2)CC(C)C	112
+O(C)c1cccc(OC)c1-c2n(CC(C)C)nc(C(=O)OCC)c2	2054
+c1cc(ccc1-c2cc(C(=O)OCC)nn2CC(C)C)Br	2054
+O=S(=O)(N(Cc1ccc(cc1)Cl)CC(C)C)c2ccc(cc2)OC	692
+CC(C)CNc1c(N)cc(C(=O)C)cc1	0
+CC(C)CNc1c(cnc(n1)C#N)Br	738
+c1cc(ccc1)Cc2cc3cnc(C#N)nc3n2CC(C)C	7838
+CC(C)CNc1nc2c(n3c(cnc13)-c4cc5c(cc4)OCCO5)cccc2	7839
+CC(C)CNc1c2n(cc(n1)-c3ccccc3)ccn2	356
+CC(C)Cn1c2c(nc1COc3cccc(OCC)c3)ccc(O)c2	1264
+c1(cc(cc(F)c1Br)S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C)F	416
+c1cc(ccc1C(=O)C)S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C	416
+CC(C)Oc1cc(C(=O)Nc2ncc(C(=O)OC)cc2)cc(OCC(C)C)c1	126
+c1c(Cl)cc(c(c1[N+]([O-])=O)O)C(c2cc(cc([N+]([O-])=O)c2O)Cl)OCC(C)C	7840
+C1CN(CCN1C(OCC(C)C)=O)c2nc(-c3c(OC)cccc3)nc4ccsc24	2094
+CC(C)COC(Nc1ccc(c(c1)F)Br)=O	1718
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)NC(=O)OCC(C)C)F	90
+CC(C)COC(OC(=O)CN1c2ccccc2C3(c4c(OC3)cc5OCOc5c4)C1=O)=O	7841
+CC(C)COC(=O)Nc1cccc(c1)F	90
+CC(C)COC(=O)n1c(-c2ccc(cc2)Br)ncc1	7842
+c1ccccc1Nc2nc(nc(-c3ccccc3)n2)NC(OCC(C)C)=O	4331
+CC(C)COC(c1cc(-n2c3ccc(cc3cn2)OC(C(NC(=O)C(F)(F)C)C)c4ccc5c(OCOC5)c4)ccc1)=O	9
+CC(C)COC(c1cc(-n2c3ccc(cc3cn2)OC(C(N)C)c4cc5c(cc4)COCO5)ccc1)=O	669
+CC(C)CON=C(C(=O)OCC)C(=O)CCl	969
+CC(C)CON=C(C(=O)OCC)c1csc(n1)N	1145
+CC(C)CON=C(c1nc(sc1)N)C(O)=O	3
+CC(C)CON=C(C(NC1C(=O)N2C1SCC=C2C(O)=O)=O)c3nc(sc3)N	999
+c1cc(ccc1[N+]([O-])=O)COC(=O)C2=C(CSC3N2C(C3NC(C(=NOCC(C)C)c4csc(NC=O)n4)=O)=O)O	471
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(C(=NOCC(C)C)c4csc(NC=O)n4)=O)=O	471
+CC(C)CON=C(c1nc(NC=O)sc1)C(O)=O	1274
+OC(CP(C)(=O)O)CN	7843
+CC(C)COP(=O)(C)CC(CN)O	18
+CC(C)COP(CCCN)(=O)C	51
+CC(C)COP(=O)(CCC#N)C	4332
+CC(C)COc1cc(CO)c(nc1-c2cc(OC)ccc2F)OC	295
+CC(C)COc1nc(ccc1-c2c(F)ccc(OC)c2)COC	629
+CC(C)COc1c(-c2cc(OC)ccc2F)ccc(C(OC)=O)n1	89
+CC(C)COc1cc(c(C(=NO)c2ccc(OCC(C)C)c(c2)CCC(=O)OCC)cc1)OCC(C)C	1205
+CC(C)COc1ccc(C(Nc2cccc(OC)c2)=S)cc1C#N	581
+CC(C)COc1ccc(Cl)cc1Cc2oc(CO)cc2	4333
+CC(C)COc1ncc(cc1Cl)OCc2cc(c(C(OC)=O)cc2F)F	483
+CC(C)COc1c(C#N)cc(-c2sc3c(cccc3O)n2)cc1	7844
+CC(C)COc1cc(COc2cc(C(CC(=O)O)C3CC3)ccc2)c(nc1-c4cc(OC)ccc4F)OC	4
+c1ccccc1S(=O)(=O)NC(c2ccc(-c3cc(cc(F)c3)OCC(C)C)nc2Cl)=O	3968
+CC(C)COc1cc(cc(OCC)c1)C=O	39
+CC(C)COc1c(CCC(OCC)=O)cc(C(c2c(OCC(C)C)cc(OCC(C)C)cc2)N)cc1	4334
+CC(C)COc1cccc(OCC(OCC)=O)c1	52
+CC(C)COc1cc2CC(CC)N3C=C(C(=O)O)C(=O)C=C3c2cc1OC	108
+CC(C)COc1ccc2c(c(nn2C)C=O)c1	2158
+OB(O)c1ccc(c(C#N)c1)OCC(C)C	281
+CC(C)COc1c(cc(cc1)-c2sc3c(cccc3OC)n2)C#N	2179
+CC(C)COc1c(cc(Cl)cc1)Cc2oc(cc2)C=O	2180
+CC(C)COc1cc2c([nH]nc2cc1)C=O	804
+CC(C)COc1cccc(OCc2[nH]c3c(n2)cccc3)c1	442
+CC(C)COc1cccc(OCC(O)=O)c1	3
+CC(C)COc1c(-c2ncc(c(O)n2)-c3[nH]nnn3)cccc1	4335
+CC(C)COc1ccccc1-c2nc(O)c(C#N)cn2	7845
+CC(C)COc1ccccc1-c2ncc(C(=O)N)c(n2)O	7846
+CC(C)COc1nc(CN(c2cc(ncn2)C(C3CC3)CC(O)=O)C)ccc1-c4c(F)ccc(OC)c4	3
+CC(C)COc1nc(CN(c2cc(ncn2)C(CC(=O)OCC)C3CC3)C)ccc1-c4c(F)ccc(OC)c4	1347
+c12c(cccc1)C(=O)N(C2=O)Cc3ccc(-c4c(F)ccc(OC)c4)c(n3)OCC(C)C	2181
+CC(C)COc1nc(CO)ccc1-c2c(F)ccc(OC)c2	88
+CC(C)COc1ncc(OCc2c(cc(c(F)c2)C(=O)O)F)cc1Cl	1
+CC(C)CSc1ccc2c(cc(N)c([N+]([O-])=O)c2)c1	972
+CC(C)CS(c1ccc2c(c1)cc(N)c(N)c2)=O	0
+CC(C)CS(=O)c1ccc2cc(c(cc2c1)N)[N+]([O-])=O	357
+CC(C)Cc1cc(nc(Cl)n1)Cl	4336
+FC(F)(F)c1ccc(cc1)-c2nc(ccc2)C(O)CC(C)C	2899
+c1cc(ccc1C(O)CC(C)C)C(=O)OC	758
+CC(C)Cc1ncc(cc1C#N)C(OCC)=O	7847
+CC(C)Cc1cc(ccc1-c2cc(Cc3c4ccccc4ccc3)c(cc2)O)CCC#N	5
+OB(O)c1ccccc1CC(C)C	422
+CC(C)Cc1c(O)cc(O)c(C(=O)C)c1	214
+CC(C)Cc1c(OC)cc2OCc3c(-c2c1)n(nc3C(O)=O)-c4cscc4	6
+CC1(C)C(C)(C)OB(O1)c2ccc(c(C#N)c2)CC(C)C	17
+CC(C)Cc1c2ccc(nc2ccc1)O	2900
+CC(C)Cc1c2C=CC(=O)[NH+]([O-])c2ccc1	7848
+CC(C)Cc1c2c(ncc1N)cccc2	13
+c1(C)cc(cc(C)c1Oc2cc3c([nH]nc3cc2)CC(C)C)[N+]([O-])=O	46
+Clc1cc(cc(Cl)c1)-c2ccc3c(cccc3n2)CC(C)C	691
+CC(C)Cc1c2ccc(nc2ccc1)Cl	532
+CC(C)Cc1cn(c2cc(Cl)ccc12)-c3nc(C(OCC)=O)cs3	7849
+c1cc(ccc1F)-n2c(CC(C)C)cc(n2)CN	2880
+CC(C)Cc1cc(ccc1-c2ccc(-c3cc(Cc4c5c(cccc5)ccc4)c(O)cc3)c(CC(C)C)c2)CCC#N	5
+CC(C)Cc1nc(nc(OC)c1)OC	2901
+CC(C)Cc1cc-2c(OCc3c-2n(nc3C(N4CCCN(C(C5OCCC5)=O)CC4)=O)-c6ccsc6)cc1OC	10
+c1cc(ccc1-c2noc(n2)-c3ccc(cc3)CC(C)C)C4CC5(C(N(C)C(=O)N5)=O)CC4	910
+CC(C)Cc1ccc(cc1)C(C)C(NCCCCO)=O	9
+CCOP(OCC)(=O)OCCCCNC(C(c1ccc(cc1)CC(C)C)C)=O	4337
+CC(C)Cc1c(C#N)cc(cc1)N	0
+CC(C)Cc1c2c([n+]([O-])ccc2)ccc1	924
+CC(C)Cc1c2c(n(-c3nc(CO)cs3)c1)cc(Cl)cc2	1171
+CC(C)Cc1cc(C=NO)nn1-c2ccc(cc2)F	688
+c1ccccc1CN2C(=O)c3nc4c(nc3N=C2CC(C)C)cccc4	7850
+CC(C)Cc1sc(-c2onc(C(CCC(O)=O)CC(Nc3c(Cl)cc(cc3)C)=O)c2C4CC4)cn1	1405
+CC(C)Cc1scc(n1)C(=O)O	6
+CC(C)Cn1c2c3c(cccc3)nc(N)c2nc1CN	18
+CC(C)Cn1c2ccc(cc2cn1)O	5
+CC(C)Cn1c(nc2c(nc3c(cccc3)c12)N)CN=[N+]=[N-]	2902
+CC(C)Cn1c2c(nc1COc3cccc(OCC)c3)ccc(c2)OCC(OCC)=O	52
+CC1(C)C(C)(C)OB(O1)c2cc(C)c3c4ccccc4n(c3c2)CC(C)C	7851
+CC(C)Cn1c2ccc(cc2cn1)Oc3c(cc(cc3)F)C#N	46
+CC(C)Cn1c2ccc(Oc3ccc(cc3CN)F)cc2cn1	107
+CC(C)Nc1c(cc2N(C(=O)C(C)(C)c2c1)CCCCC)[N+](=O)[O-]	7852
+CC(C)Oc1cc(c(cc1)C)C(=O)N2CCC(CC2)N3C(=O)C(C)(C)C(c4cc(OC)c(OC)cc4)=N3	313
+CC1(C)C(C)(C)OB(O1)c2cn(nc2)C(C)C	2182
+CC(C)Oc1cc(ccc1)-c2cncc3cc(C(OCC)OCC)oc23	313
+C[Si](C)(C)C#Cc1cc(OC(C)C)c2c(c1)C(C)(C)CCC2=O	313
+CC(C)Oc1cc(-n2c(C)c(c(C)n2)C)c(F)cc1Cl	313
+CC(C)N1N=C(c2cc(ccc2)Cl)c3c(cccn3)C1=O	7853
+FC(F)(F)C(=O)c1cn(c2cc(C)ccc12)C(C)C	4338
+FC(F)(F)C(=O)c1c2ccc(cc2n(C(C)C)c1)OC	4338
+FC(F)(F)c1c2c(c(Br)ccc2nc(c1)OC(C)C)OCc3ccccc3	7854
+FC(F)(F)c1cc(Cl)c(nc1)-c2ccc(Cl)c(OC(C)C)c2	313
+FC(F)(F)c1cnc(Oc2cc(OC(C)C)ccc2C=C(C(OCC)=O)C)c(Cl)c1	313
+CC(C)n1c2ncnc(N)c2c(n1)I	7855
+O=S(=O)(c1c(ccc(Br)c1)OC(C)C)NC(Cc2c[nH]c3c2cccc3)C(=O)OC	313
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(OC(C)C)ccc13)C	313
+CC(C)Oc1ccc(C(=O)OC)cc1C	313
+CC(C)Oc1ccc(cc1Br)[N+]([O-])=O	313
+CC(C)n1nc2c(cccc2c1-c3c(cc(cc3)OC)OC)F	7856
+CC(C)Oc1cccc(C=O)c1	313
+CC(C)Oc1c([N+](=O)[O-])ccc(F)c1	313
+CC(C)n1nc(cc1)-c2scc(c2)Br	2182
+CC(C)N1C(=O)C(CC)Oc2cc(ccc12)C(=O)OC	3344
+CC1(C)OC2C(C(OC2CN(CCCN3C(=O)c4c(cccc4)C3=O)C(C)C)n5c6ncnc(c6nc5)N)O1	2689
+CC(C)n1c2c(c(nc(Cl)c2)Cl)nc1	7857
+CC(C)Oc1c(Br)ccc(O)c1	313
+CC(C)Oc1ccc([N+]([O-])=O)c(C#N)c1	313
+CC(C)n1cc(-c2cc(Br)c(F)cc2)c(-c3nc(ccc3)C)n1	2182
+CC(C)Oc1ccc(cc1C(OC)=O)I	313
+CC(C)Oc1cccc(c1)CCC(OC)=O	313
+CC(C)N1CCCc2c1cccc2	3977
+c1cc(ccc1F)-c2cn(c(C(=O)OCC)c2-c3ccccc3)C(C)C	7858
+c1cc(ccc1OC)-c2c(cnc(n2)N)C3=NN(C(C)C)C(=O)C=C3	7859
+c1cc(ccc1-c2c(cc(c(c2F)OC(C)C)C=O)Br)F	313
+c1cc(ccc1-c2c3c(c(ccc3)Cl)n(n2)C(C)C)OC	7860
+CC(C)N1N=C(c2c3n(ccc(OC)c3)nc2-c4ccccc4)C=CC1=O	4226
+c1ccccc1COC2=CC(Br)=CN(C(C)C)C2=O	7861
+c1ccccc1COc2ccc(cc2)N3C(=O)N(c4c3nccc4)C(C)C	7862
+CC(C)n1c2ncncc2c(I)c1	7863
+CC(C)n1nc(c(c1)-c2ccnc(n2)SC)-c3sc(Cl)cc3	2182
+CC(C)N1C(=O)CC(=O)N(C(C)C)C1=O	1984
+CC(C)Nc1c(C(OCC)=O)cnc(SC)n1	40
+CN(C)C(c1ccc(cc1)-c2c(OCCNC(C)C)ccc(-c3nc(c4c(cc(OC)cc4OC)n3)O)n2)=O	132
+CC(C)Nc1nc(Cl)cc2c1C(=O)N(C)C=N2	70
+COc1cc(cc(OC)c1)C2=CC(c3c(O2)cc(cc3)OCC(CNC(C)C)O)=O	122
+CC(C)NCc1cc(-c2nc(-c3cc(c(-c4ccccc4C)cc3)COC)on2)ccc1	4339
+CC(C)Nc1c(cc(cc1)Cl)[N+]([O-])=O	205
+FC(F)(F)c1cc(Cl)c(nc1)-c2ccc(c([N+](=O)[O-])c2)NC(C)C	60
+FC(F)(F)c1cc(C(Nc2c(c3nsnc3cc2C(=O)NC(C)C)Cl)=O)n(n1)-c4c(cccn4)Cl	1302
+CC(C)NC=1N=C2N(C=CC=C2)C(=O)C=1Br	7864
+CC(C)NC(c1ccccc1N)=O	1338
+CC(C)NCc1c(O)nc2c(cccc2C)c1	249
+CC(C)NCc1c(cccc1)O	42
+CC(C)NCc1c(OCCCCCC(OCC)=O)cccc1	42
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCNC(C)C	132
+CC(C)NS(=O)(=O)c1ccccc1[N+]([O-])=O	71
+CC(C)Nc1c([N+]([O-])=O)cccc1	60
+CC(C)Nc1c([N+]([O-])=O)c(ccc1)F	60
+CC(C)Nc1c(cnc(Cl)c1)[N+](=O)[O-]	105
+CC(C)NC(c1cc(F)c(Br)cc1)=O	14
+CC(C)Nc1c(C(O)=O)ccc(c1)Br	60
+CC(C)NC(=O)c1c(n[nH]c1)-c2nc3ccccc3[nH]2	4340
+CC(C)Nc1c(C(OCC)=O)cnc(Cl)c1	105
+CC(C)Nc1nc2c(cc(C=O)cc2F)s1	3841
+CC(C)Nc1c([N+](=O)[O-])cc(Br)cc1	60
+CC(C)Nc1nncc2cc(Br)ccc12	232
+CC(C)NC(=O)c1sc(cc1OCc2ccccc2C)-n3cnc4ccccc34	227
+CC(C)Nc1c2c(nnc1I)cc(-c3ccc(cc3)S(=O)(=O)C)cc2	4341
+c1cc(ccc1C#Cc2nc(NC(C)C)ncc2)F	96
+c1cc(ccc1C)S(=O)(=O)N2CCCC(c3ccccc23)CC(=O)NC(C)C	9
+CC(C)NCc1ccc(cc1)C(OC)=O	370
+c1cc(ccc1CC(NC(C)C)=O)-c2ccc(cc2)OC(C)C(CCc3cnccc3)O	9
+C1CC1c2[nH]nc(c2)Nc3nc(c(C#N)c(c3F)NC(C)C)NC(C)c4ccc(cc4)F	7865
+c1cc(ccc1S(=O)(=O)Nc2cc(nc(NCC)n2)NC(C)C)N	40
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)(NCc4ccccc4)C(=O)NC(C)C	9
+CC(C)Nc1nc(nc2c1CCC2c3ccccc3)Cl	40
+CC(C)Nc1nccc(-c2c(nn3c2cccc3)-c4cc(F)ncc4)n1	785
+CC(C)N(C(=O)c1ccc(cc1)-c2occc2)Cc3ccccc3OCCCCc4nnn[nH]4	420
+CC(C)N(C(C)C)C(=O)c1ccc(cc1)OCCCCCOc2ccc(cc2)C(=N)NO	181
+CC(C)N(C(C)C)C(c1ccc(cc1O)O)=O	5
+CC(C)N(C(C)C)C(=O)c1ccc(cc1)OCCCCCOc2ccc(cc2)C#N	72
+CC(C)N(C(C)C)C(c1c(O)cc(OCCCCCOc2ccc(cc2)C#N)cc1)=O	8
+CC(C)N(C(C)C)C(c1c(cc(cc1)O)OC)=O	5
+CC(C)N(C(C)C)CC#CCCC=O	24
+CC(C)N(C(C)C)CC#Cc1c2c(nc(nc2n(c1)Cc3c(c(c(C)cn3)OC)C)N)Cl	4044
+CC(C)N(C(C)C)CCCSc1ccc([N+]([O-])=O)c(c1)C	411
+CC(C)N(C(C)C)CCCSc1cc(c(cc1)N)C	0
+CC(C)N(C(C)C)CCN1c2ccc(cc2C(=O)C1=O)NC(C)=O	7866
+CC(C)N(C(C)C)CCN1C(C(=NNC(=O)N)c2cc(ccc12)NC(C)=O)=O	7867
+CC(C)N1C(CC)C(=O)Nc2cnc(Cl)nc12	2044
+CC(C)(Cn1cc(cn1)-c2ccc3OCCc4c(nc(C(=O)N(C(C)C)CCO)s4)-c3c2)O	320
+FC(F)(F)c1cc(C(=O)NC2C(N(C3C(CCC)CC(CC3)N(C)C(C)C)CC2)=O)c(NC(=O)NCC)cc1	1007
+CC(C)N(C)C1c2n(c3c(cccc3)c2C)CCC1	695
+c1ccccc1-c2sc(c(N(C(C3CCC(CC3NC(=O)C)C)=O)C(C)C)c2)C(=O)O	1
+c1cc(ccc1N(C(C)C)C(CN2c3ccccc3N(C(=O)CC2=O)c4ccccc4)=O)C	4342
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=Cc2ccc(cc2)N(c3ncccn3)C(C)C)=O	1046
+CC(C)N1C(=O)C(C(=O)N(C(C)C)C1=O)C(NCC(=O)O)=O	3
+CC(C)N1C(C(Oc2c1ccc(C(=O)O)c2)CC)=O	1
+c1cc(ccc1-c2c(nc(C(=O)N)c(n2)N)C=3C=CC(=O)N(C=3)C(C)C)OC	696
+c1cc(ccc1F)-c2c(nc(c(n2)N)C#N)C=3C=CC(N(C(C)C)N=3)=O	7868
+CC(C)N1N=C(C=CC1=O)c2c(-c3ccccc3)nc(cn2)N	4343
+CC(C)N1C(=O)C=CC(=N1)c2nc(C(=O)O)c(N)nc2-c3ccccc3	4344
+CC(C)N1C(=O)C=CC(=C1)c2c(nc(N)c(C(=O)N)n2)Cl	2903
+CC(C)N1c2ccc([N+]([O-])=O)cc2CC1=O	31
+CC(C)n1c(nc2cc(ccc12)Cl)Cl	1088
+CC(C)N1C(=O)c2cc(ccc2C(=N1)Br)O	477
+CC(C)N1C(=O)c2c(C(=N1)Br)ccc(S)c2	7869
+CC(C)N1C(=O)c2cc3nc([nH]c3cc2C1=O)-c4c(nccc4Cl)OC	3792
+CC(C)N1N=C(Br)c2ccc(OC)cc2C1=O	65
+CC(C)N1C(c2cc3[nH]c(-c4c(O)nccc4NC(C)Cc5c(C)ccc(c5)F)nc3cc2C1=O)=O	105
+CC(C)N1C(=O)c2cc3c(nc([nH]3)-c4c(Cl)ccnc4O)cc2C1=O	104
+CC(C)N1C(C(C(=O)O)=Cc2c(cccc12)C)=O	108
+CC(C)N1C(C(C)(C)c2ccc(NCc3ccccc3)cc12)=O	250
+CC(C)N1c2cc(ccc2C(C)(C)C1=O)N	1197
+CC(C)N1C(C(Oc2cc(C(Cl)=O)ccc12)CC)=O	82
+CC(C)N1CCN2C(=C(C(=O)N=C2Cc3c(Cl)cccc3Cl)O)C1=O	7870
+CC(C)N1C(C=CC(c2c(nc(c(NCCN(C)C)n2)N)-c3ccccc3)=N1)=O	941
+C[Si](C)(C)C#Cc1c(N)nc(c(C2=NN(C(=O)C=C2)C(C)C)n1)-c3ccccc3	4345
+c1cc(ccc1)-c2nc(c(-c3ccccc3)nc2N)C4=NN(C(C)C)C(C=C4)=O	356
+c1cc(ccc1)C#Cc2c(nc(-c3ccccc3)c(n2)C=4C=CC(N(N=4)C(C)C)=O)N	2350
+O=S(=O)(c1nc(C)c2C=CC(N(C(C)C)c2n1)=O)C	737
+CC(C)N1c2c(cnc(Cl)n2)N(C(=O)C1CC)C	7871
+CC(C)N1C(N(C(=O)C1)c2ccc(O)cc2F)=O	5
+CC(C)N1C(N(c2c(cc(OCc3c(cc(cc3)Cl)OC(C)C(OC)=O)cc2)F)C(=O)C1)=O	139
+CC(C)N1C(Oc2cc(cc(F)c12)N3C(=O)OC(C3)C(=O)N)=O	327
+CC(C)N1C(=O)c2c(C(Br)=N1)ccc(N)c2	0
+CC(C)N1C(c2cc(ccc2C(=N1)Br)CSC)=O	639
+CC(C)N1Cc2c(C1=O)cc3[nH]c(-c4c(NC(Cc5cc(ccc5C)F)C)ccnc4O)nc3c2	1598
+CC(C)N1C(=O)C=CC(c2c(Cl)[n+]([O-])c(N)c(C(N)=O)n2)=C1	2904
+CC(C)N1CC(Oc2ccc(Cl)cc2Br)CC1	624
+CC(C)N1CC(CC1)OS(=O)(=O)C	7
+CC(C)N1CCC(CC1)COc2c3c(c(cc2C(NC(CC)(C(=O)O)C)=O)Cl)cccc3	3
+C1CN(CCC1NS(=O)(=O)CCNC(c2ccc(cc2)Cl)=O)C(C)C	14
+CC(C)N1CCC(CC1)NS(=O)(=O)CCN	45
+CC(C)N1CCC(CC1)Oc2ccc3c(cc(C(OC)=O)s3)c2	419
+CC(C)N1CCC(CC1)Oc2ccc3n4C(C)CNC(c4cc3c2)=O	419
+C1CC(CCN1C(C)C)Oc2nc3CCN(Cc3cc2)Cc4ccccc4	91
+C1CN(CCN1C(N(C)C)=O)C(c2[nH]c3cc(Cl)c(OC4CCN(CC4)C(C)C)cc3c2)=O	776
+CC(C)N1CCC(CC1)Oc2cc3c(cc2)sc(c3)C(O)=O	1
+CC(C)N1CCC(CC1)Oc2ccc(cn2)N	13
+CC(C)N1CCC(CC1)c2scc(C(O)=O)n2	6
+c1cc(ccc1Cl)NC(c2nc(sc2)C3CCN(CC3)C(C)C)=O	2015
+CC(C)N1c2ccc(cc2CCC1)C=O	151
+CC(C)N1c2c(CCC1)cc(C(C)=CCO)cc2	2624
+C1CN(CCN1c2cc(c(cc2F)[N+]([O-])=O)OC)C(C)C	79
+C1CN(CCN1C(C)C)c2c(OC)ccc(-c3nc(c4c(cc(OC)cc4OC)n3)O)n2	323
+c1cc(ccc1C=O)N2CCN(CC2)C(C)C	34
+CC(C)N1CCN(CC1)C2CN(C2)c3cc4c(C=CC(=O)N4Cc5ccc(cc5)OC)nc3	85
+C1CN(CCN1C(=O)OC2CN(CC2)c3ncc(C(=O)N)cc3)C(C)C	1011
+CC(C)N1CCN(CC1)C(=O)c2nc(c(s2)-c3c4c(ccc3)cccc4)C	1999
+O=S(=O)(c1ccc(cc1)OC)Oc2cc3n(nc(-c4ccccc4)c3C5=NN(C(C=C5)=O)C(C)C)cc2	681
+CC(C)N1C(=O)C=CC(=N1)c2nc(C#N)c(nc2-c3ccc(cc3)F)N=CN(C)C	696
+CC(C)N1N=C(C=CC1=O)c2c(nn3ccc(cc23)O)-c4ccccc4	5
+CC(C)N1N=C(c2c(cc(CO)cc2)C1=O)Br	217
+CC(C)N1C(=O)Cc2ccccc12	1562
+CC(C)N1C(C(=Cc2c1nc(N)nc2)c3ccc(c(c3)N)F)=O	0
+CC(C)N1c2c(cc(N)cc2OC1=O)F	0
+CC(C)N1C(Oc2c1c(cc(N3CC(C(=O)OC)OC3=O)c2)F)=O	7872
+CC(C)N1c2ccc(C(C)=C(F)C(OCC)=O)cc2CCC1	2905
+CC(C)N1c2c(OC1=O)cc(NCC(C(OC)=O)O)cc2F	1967
+CC(C)N1c2c(cc(C(=O)C)cc2)CCC1	155
+CC(C)N1C(CC)C(N(c2cnc(Nc3ccc(c4CCOc34)C(=O)O)nc12)C)=O	55
+CC(C)N1c2c(cnc(n2)SC)C=C(c3cc([N+]([O-])=O)c(F)cc3)C1=O	1597
+CC(C)N1c2c(C=C(C1=O)c3cc([N+]([O-])=O)c(F)cc3)cnc(N)n2	4048
+CC(C)N1c2cc(ccc2C(C)(C)C1=O)NC(c3cnccc3)=O	246
+CC(C)N1c2ccc(cc2CC1=O)N	0
+CC(C)N1c2c(cc(cc2)C(O)C)CCC1	449
+O=S(=O)(c1c(Cl)cc(cc1)Cl)NCCCCN(CC(O)COC)C(=O)NC(C)C	384
+CC(C)NC(Nc1cnc2c([nH]c(n2)-c3cc(ccc3Cl)NC(=O)c4occc4)c1)=O	2374
+CC(C)Nc1n(c2c(n1)cc([N+]([O-])=O)cc2)C	7873
+CC(C)Nc1nc2c(F)c(F)c(Cl)cc2[nH]1	3759
+c1cc(ccc1Oc2ncc(Br)s2)S(=O)(=O)N(C(C)C)C	2691
+CC(C)NC(=O)C1CCC(CC1)Nc2cc(ncc2N)OCCOC	13
+FC(F)(F)C(N1CCc2c(c(NCc3ccc(cc3)CC(=O)NC(C)C)c(cc2)Cl)CC1)=O	1627
+CC(C)NC(=O)Cn1cc(cn1)Nc2nccc(Cl)n2	4346
+c1c(F)c(c(cc1C#N)F)CNc2nc(ncc2)Nc3cn(CC(NC(C)C)=O)nc3	40
+c1cc(ccc1Nc2nc(Nc3c(cccc3)C(=O)NC(C)C)c(F)cn2)C(OCC)=O	55
+CC(C)NC(=O)c1ccc(c(-c2nc(c(N)cc2)C(=O)O)c1F)F	1
+CC(C)NC(=O)c1ccccc1Nc2c(F)cnc(Nc3ccc(cc3)CNCCS(=O)(=O)C)n2	42
+CC(C)NC(=O)c1nc(sc1C(=O)OCC)-c2ccc(NC(NCC)=O)nc2	7874
+CC(C)NC(=O)c1nc(sc1C(O)=O)-c2cnc(cc2)NC(NCC)=O	6
+CC1(C)CC2(OCCO2)CC(C)(C)N1c3nc(Cl)nc(N(C(C)C)C(C)C)n3	436
+CC(C)N(C(C)C)C(c1ccc(cc1)O)=O	30
+CC(C)N(C(CC)C(=O)OC)c1nc(ncc1[N+](=O)[O-])Cl	2619
+FC(F)(F)S(=O)(=O)Oc1ccc2C=C(c3cc(Cl)ccc3)N(CC(=O)NC(C)C)C(c2c1)=O	166
+CC(C)NC(CN1C(=O)c2cc(ccc2C=C1c3cc(Cl)ccc3)O)=O	5
+CC(C)NCCc1cccc(c1)O	15
+CC(C)NC(=O)c1[nH]c(C=O)nc1	7875
+CC1(C)OB(OC1(C)C)c2c(ccc(c2F)C(NC(C)C)=O)F	17
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CN(C4)c5ccc(C(=O)NC(C)C)cc5F)CC#N)c3)c2cc1	79
+CC(C)NC(=O)c1c(cccc1)Nc2nc(Cl)ncc2Cl	73
+C[Si](C)(C)CCOC(=O)c1cc(S(=O)(=O)N(C2CCC(CC2)C(=O)OC)C(C)C)ccc1	92
+CC(C)N(C=O)C1c2n(CCC1)c3ccccc3c2C	1003
+CC(C)NC=1N=C2C=CC=CN2C(=O)C=1c3ccc(cc3)Cl	7876
+c1cc(ccc1F)S(=O)(=O)N(CC(=O)OC)C(C)C	1387
+c1cc(ccc1)-c2ncc(N(C(C)C)CCCCO)nc2-c3ccccc3	317
+Fc1cccc(F)c1N2C(=O)C=Cc3c2nc(nc3-c4c(C)ccc(C(=O)Nc5sccn5)c4)NCCCNC(C)C	306
+O=S(=O)(Nc1c(ccc([N+]([O-])=O)c1)OCCNC(C)C)C	57
+CC(C)N(C(c1nc2-c3cc(ccc3OCCc2s1)Br)=O)CCO	1999
+CC(C)N(CCOc1c(-n2cccc2)cc(cc1)[N+](=O)[O-])CCc3cc(OC)c(cc3)OC	28
+CC(C)N(S(=O)(=O)c1ccc2N(CCOc2c1)C)Cc3c(nc4c(cccc4C)c3)O	92
+c1cc(ccc1F)C(=O)N(Cc2c(OCCCCCC(OCC)=O)cccc2)C(C)C	30
+c1cc(ccc1Br)C(=O)N(Cc2ccccc2O)C(C)C	30
+CC(C)NCc1cccc(c1)-c2cc(ccc2OC)N	0
+c1cc(ccc1OC(C(N(C(C)C)Cc2nc(-c3cccnc3)no2)=O)C)CCC	58
+FC(F)(F)C1=NN(C(=O)C1C)C(C)C	7877
+c12c(cccc1)C(=O)N(C2=O)CCCN(C(C)C)S(=O)(=O)c3ccccc3[N+]([O-])=O	831
+CC(C)Nc1cc(C(=O)O)c(cc1C(=O)N)C	1
+CC(C)Nc1c(ccc(c1)Br)C(OC)=O	272
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1C(=O)OCC	201
+CC(C)Nc1nc(SC)ncc1C(=O)O	6
+CC(C)Nc1ccc(Br)cc1N	0
+CC(C)Nc1c(c(ccc1)F)N	0
+CC(C)Nc1nc(CC)c(cc1N)Br	13
+CC(C)Nc1ccccc1N	0
+CC(C)Nc1c(cnc(c1)Nc2nc(N3CCC(CC3)OC)ncc2)N	13
+CC(C)N1c2cccc(c2NC1=O)F	1989
+CC(C)Nc1c(C(=O)N)cc(C)c(C(OC)=O)c1	216
+CC(C)N1C(=O)Nc2c1ccc(Cl)c2	1595
+CC(C)Nc1c(cc(cc1)Cl)N	0
+CC1(C)c2c(N(C1=O)CCCCC)cc(N)c(NC(C)C)c2	0
+c1ccccc1C(O)CN(CCc2ccc(cc2)-c3ccc(C(=O)OC)c(c3)NC(C)C)Cc4ccccc4	170
+C1CN(CCC1OC)c2nccc(Nc3ncc4c(n(c(CC)n4)C(C)C)c3)n2	730
+CC(C)N(C(=O)C1CCC(CC1N=[N+]=[N-])C)c2cc(-c3ccccc3)sc2C(=O)OC	1987
+CC(C)n1nnc2ccc(C(O)=O)cc12	2183
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1C(=O)O	6
+CC(C)Nc1cc(ncc1C(NC2CCC(CC2)=O)=O)Nc3cc4c(ncs4)cc3	97
+CC(C)n1c2c(nc1Nc3ccc(cc3)C(=O)OC)cc(cc2)Br	1023
+CC(C)Nc1ccn(n1)-c2nc3cc(OC)ccc3c(O)c2	4347
+CC(C)Nc1ccn(n1)-c2nc3c(ccc(c3)OC)c(Cl)c2	4348
+CC(C)Nc1n(C)c2ccc(cc2n1)N(c3ccnc(Nc4cc(c(Cl)cc4)S(=O)(=O)N)n3)C	55
+CC(C)Nc1nc2c(ccc(Nc3nc(ncc3)Cl)c2)n1C	73
+CC(C)Nc1n(c2c(n1)cc(N)cc2)C	0
+CC(C)Nc1nc(cc(n1)C#N)C	331
+CC(C)Nc1nc(cc(n1)C)C(OCC)=O	226
+CC(C)N1C(C(=Nc2cc(Br)c(CC)nc12)C)=O	7878
+CC(C)(c1ccc(-c2nc(NC(C)C)c3c(c2)N=CN(C)C3=O)cn1)O	1608
+CC(C)Nc1nc(SC)nc(c1C=CC(=O)OCC)C	4349
+CC(C)N1C(C=Cc2c(C)nc(SC)nc12)=O	3690
+CC(C)Nc1nc(ncc1C(=O)N)SC	2757
+CC(C)Nc1nc(C)cc(C(N)=NO)n1	7879
+CC(C)Nc1nc(C)cc(C(N)=O)n1	314
+CC(C)Nc1nc(SC)nc(C)c1I	2906
+c1ccccc1C2CCc3c2nc(Nc4ccc(c(c4)OC)-n5cc(nc5)Cl)nc3NC(C)C	55
+CC(C)Nc1c(C(=O)N)cnc(n1)S(C)=O	3802
+CC(C)Nc1n(C)c2ccc(N(C)c3nc(Cl)ncc3)cc2n1	1121
+CC(C)Nc1c2c(cc(cc2)-c3c(C)ccc(c3)C(Nc4ccnn4CC)=O)cnn1	99
+CC(C)Nn1c2c(c(N)nc3cc(-c4cccc(NS(=O)(=O)C)c4)ccc23)nc1CCC	495
+CC(C)Nn1c(CCC)nc2c(nc3cc(Br)ccc3c12)N	461
+CC(C)Nn1cnc2c(N)nc3c(cccc3)c12	461
+CC1(C)CCC(C)(C)C1C(O)=O	7880
+CN(C)C(=O)c1ccc(cc1)-c2cc(ccc2COC(C)C)NC(=O)C3(CC3)c4cc5OCOc5cc4	2638
+Clc1cccc(c1)-c2nnn(n2)C(C)CC(=O)O	7881
+FC(F)(F)Oc1cc(CC(=O)O)cc(Cl)c1	7882
+FC(F)(F)c1cccc(CNC(=O)c2cc(ncc2)-c3cc(OC(C)C)ccc3[N+](=O)[O-])c1	57
+CC(C)Oc1c(cnc(N)c1)C#N	2009
+CC(C)Oc1n[nH]c(N)c1	7883
+CC(C)OC(=O)CN1C(N(C(=O)N(C1=O)C)c2cc(c(cc2Cl)F)[N+](=O)[O-])=O	27
+CC(C)Oc1ccc(S(=O)(=O)C)cc1C(O)=O	556
+CC(C)Oc1n2c(ccc1)nc(-c3c(cccc3F)Cl)c2Nc4ccc5OCCOc5c4	7884
+CC(C)OC(=O)c1cnc[nH]1	1910
+CC(C)Oc1ccc(C(C)=O)cc1Cl	419
+CC(C)OC(c1cccnc1Cl)=O	342
+CC(C)OC(c1cccc(Cc2cc3c(C)c(-c4ccnc(N)n4)sc3cc2)c1)=O	47
+CC(C)Oc1cc(Cl)c(cc1[N+]([O-])=O)C	57
+CC(C)OC(c1cccc(Br)c1)=O	47
+CC(C)OC(Cc1c(cc(cc1)[N+](=O)[O-])[N+]([O-])=O)=O	204
+CC(C)Oc1cc(c(Br)cc1[N+]([O-])=O)C	20
+c1c(OC)c(c(cc1-c2nc(N)nc(OC(C)C)c2C#N)OC)OC	7885
+CC(C)Oc1cc(ccc1)CC(=O)OC	419
+CC(C)Oc1ncccc1[N+]([O-])=O	430
+CC(C)OC(=O)c1cc(c(N2CC(C2)C(NS(=O)(=O)Cc3ccccc3)=O)nc1C(F)F)C#N	7886
+CC(C)OC(=O)Nc1c(C)nnn1-c2ccc(cc2)Br	2907
+C1N(CC1C(c2cc(F)cc(C(=O)OC(C)C)c2)C(C)(C)F)C(c3cccc(c3)C#N)c4ccc(cc4)Cl	47
+C1CN(CCN1C(c2c(OC(C)C)ccc(c2F)S(=O)(=O)C)=O)c3ccc(cc3)C#N	57
+CC(C)n1cc([N+]([O-])=O)cn1	2010
+OB(O)c1ccc(C2CCC2)c(c1F)OC	579
+OB(O)c1ccc2c(CCCC2)c1	579
+OB(O)c1ccc(OC(C)C)c(c1)OCC	1719
+OB(O)c1c(OCCC)c(cc(C(C)C)c1)C(C)C	281
+CC(C)C1=CCC(C)(C)c2cc(c(B(O)O)cc12)C	281
+OB(O)c1cc2c(ccc(Cl)c2)o1	7887
+CC(C)OB(OC(C)C)c1cc(c(cc1)OCCOC2CCCCO2)C(F)(F)F	585
+FC(F)(F)c1c(OCOCCOC)ccc(B(O)O)c1	281
+CC(C)OB(OC(C)C)c1cc(c(cc1)OCCCOC2CCCCO2)C(F)(F)F	585
+FC(F)(F)c1cc(B(O)O)ccc1OCCCOC2CCCCO2	281
+FC(F)(F)c1c(cncc1)B(O)O	2639
+OB(O)c1ccccc1CCOC2OCCCC2	281
+OB(O)c1c(cc(c(c1)Cl)-c2cc(ccc2)F)OC	1719
+OB(O)c1c(C)c(OCOC)ccc1	281
+c1c(C)c(c(cc1OCOC)C)B(O)O	281
+c1(cc(cc(OC)c1Cl)B(O)O)OC	281
+OB(O)c1c(cccc1)-c2c(ccc(c2)Br)OC	1719
+OB(O)c1cc2c(cccc2s1)C(O)=O	7888
+OB(O)c1ccc(F)c(c1F)OCCCCCC	1509
+OB(O)c1ccc(C#N)c(c1)OC	281
+OB(O)c1ccc(c(OCC)c1)Cl	281
+OB(O)c1ccc2cc(ccc2c1)-c3c4ccccc4c5ccccc5c3	281
+CC(C)OB(OC(C)C)c1ccc2c(c1)CCCC2	585
+OB(O)c1cc(C#N)ccc1OC	281
+c1ccccc1COc2ccccc2-c3ccccc3B(O)O	281
+c1cc(ccc1)COc2c(cc(Cl)cc2)-c3c(B(O)O)cccc3	281
+CC(C)OB(OC(C)C)c1ccc(cc1)-c2cc3c(c4ccccc24)cccc3	585
+c1cc(ccc1B(O)O)-c2ncccc2	281
+CC(C)(c1ccc(cc1)B(O)O)C(=O)O	281
+c1cc(ccc1B(O)O)CCN2C(C)CCC2	281
+OB(O)c1cc(ccc1F)I	1509
+c1cc(ccc1Nc2ccc(B(O)O)cn2)Cl	2639
+OB(O)c1ccc(cc1)Oc2ccccc2F	1719
+OB(O)c1cccc(c1)-c2cc3ccccc3cc2	281
+c1ccccc1Oc2cc(c(cc2)B(O)O)F	281
+OB(O)c1ccc(cc1Cl)-c2cncc(C)n2	1719
+OB(O)c1cc2c(c(F)c1)-n3c(CC2)nnc3C	281
+OB(O)c1cc(OC)cnc1F	2698
+CC(C)(C)[Si](C)(C)Oc1ccc(B(O)OC(C)C)cc1C2CCCCC2	579
+FC(F)(F)c1cc(ccc1OCCCOC2CCCCO2)B(OC(C)C)O	579
+FC(F)(F)c1cc(B(OC(C)C)O)ccc1OCCOC2CCCCO2	579
+CC(C)OB(O)c1c(c(OC)c(C2CCC2)cc1)F	579
+c1cc(ccc1B(OC(C)C)O)-c2c3ccccc3c4c(cccc4)c2	579
+CC(C)(C)[Si](C)(C)OC(CCc1cnccc1)C(Oc2ccc(cc2)B(OC(C)C)O)C	579
+CC(C)OB(O)c1ccc2c(CCCC2)c1	579
+c1([nH]c2c(cc(cc2)F)c1C)CCC(=O)O	887
+CC(C)OC(CN1C(N(C(N(C)C1=O)=O)c2c(cc(c(N3C(c4c(C3=O)c(F)ccc4)=O)c2)F)Cl)=O)=O	668
+CC(C)OC(=O)CN1C(=O)N(c2c(cc(F)c(N)c2)Cl)C(N(C1=O)C)=O	0
+C(Oc1ccc(c(c1C#N)NCc2c(F)ccc(c2)-c3cc(ccc3)F)F)C(=O)O	887
+c1c(-c2cc(ccc2)F)cc(c(F)c1C)CNc3c(C)ccc(OCC(=O)O)c3C	887
+C(Oc1ccc(c(c1F)NCc2cc(-c3cc(ccc3)F)cc(F)c2C)F)C(=O)O	887
+c1c(c(c(NCc2cc(OC)cc(-c3cc(F)ccc3)c2)c(C)c1)C)OCC(=O)O	887
+CC(C)OC(=O)COc1cccc(CN(CCCCn2c(CCOC)nc3c2c4c(cccc4)nc3N)CCN(C)C)c1	48
+CC(C)OC(N(C)CCCNc1nn2c(cc1)ncc2Br)=O	232
+CC(C)OC(=O)N1c2cc(c(cc2N(C(C1)C)C(C)=O)[N+](=O)[O-])-c3ccc(cc3)S(=O)(=O)C	99
+c1cc(ccc1S(=O)(=O)C)-c2cc3N(CC(N(c3cc2N)C(C)=O)C)C(=O)OC(C)C	0
+c1c(cc2c(c1)N(C(C)CC2N)C(=O)C)Br	4350
+c1cc(ccc1-c2ccc(cc2)-n3c(c(C)nn3)NC(OC(C)C)=O)C4(CC4)C(OC)=O	99
+c1(F)cc(cc(F)c1C=O)NC(=O)OC(C)C	151
+FC(F)(F)C(=O)N1CCC(CC1)c2ccc(cc2)C(c3c(cc4cc(C(=O)OC(C)C)ccn34)CCCC)=O	4351
+c12c(cc(cc1)CO)ncn2-c3cccc(c3)Br	7889
+CC(C)OC(=O)c1cccc(c1)C#Cc2cc(c(cc2)CC(O)=O)F	3
+CC(C)OC(=O)c1n(cnc1)C2c3c(CCC2)c(cc(Br)c3)F	7890
+CC(C)OC(c1c(nc(O)c(C#N)c1)C)=O	2908
+CC(C)OC(COc1c(C)c(c(F)cc1)NCc2c(OC)c(cc(-c3cccc(F)c3)c2)C)=O	52
+CC(C)OC(=O)COc1c(c(c(F)cc1)NCc2c(c(F)cc(c2)-c3cccc(c3)F)C)F	52
+CC(C)OC(=O)COc1c(C)c(c(cc1)C)NCc2cc(-c3cccc(F)c3)cc(c2F)C	52
+CC(C)OC(=O)COc1c(C#N)c(NCc2c(ccc(-c3cc(ccc3)F)c2)F)c(cc1)F	52
+c1c(c(c(NCc2c(OC)c(cc(-c3cc(F)ccc3)c2)C)c(F)c1)C)OCC(=O)O	887
+c1cc(cc2c1CCCC2Nc3cc(OCC(=O)O)ccc3)-c4cc(ccc4)F	887
+CC(C)OC(COc1cccc(c1)N=C2CCCc3ccc(cc23)-c4cccc(F)c4)=O	7891
+CC(C)OC(COc1cc(ccc1)NC2CCCc3ccc(cc23)-c4cccc(c4)F)=O	7892
+FC(F)(F)C(NCCCN(C)C(OC(C)C)=O)=O	66
+FC(F)(F)c1c(cc2C(=O)CC(N(C(=O)OC(C)C)c2c1)C)F	1199
+CC(C)OC(Nc1c(c(ccc1)F)C(OC)=O)=O	90
+c1(nc(nc(N)c1NC(=O)OC(C)C)-n2c3c(c(Cc4ccccc4F)n2)ncc(F)c3)N	7893
+CC(C)OC(Nc1cc(-c2[nH]c3ncc(cc3n2)Br)c(Cl)cc1)=O	90
+CC(C)OC(=O)Nc1cc(F)cc(F)c1	90
+CC(C)OC(Nc1c(C(OC)=O)ccc(Br)c1)=O	90
+CC(C)OC(N1c2c(N(C(C1)C)C(C)=O)ccc(Br)c2)=O	1199
+c1cc(ccc1CN)-c2n3nc(NCCCN(C)C(OC(C)C)=O)ccc3nc2	1414
+CC(C)OC(=O)N1c2cc(c([N+](=O)[O-])cc2N(C(C)=O)C(C)C1)Br	31
+c1cc(ccc1-c2cc3c(cc2)N(C(=O)C)C(C)CC3N)C(=O)OCC	4350
+CC(C)OC(=O)N(c1cccc(F)c1C(OC)=O)CCCC(OCC)=O	7894
+CC(C)OC(=O)c1cccnc1N2CCC(N(CC)Cc3sc(c(C)c3)C)C2	509
+CC(C)OC(=O)c1cccnc1N2CC(CC2)N(Cc3cccc(c3)CC)C	48
+CC(C)OC(=O)c1cc(C#N)c(nc1C)Cl	137
+CC(C)OC(=O)c1c(N2CCC(NCc3cccc(CC)c3)C2)nccc1	42
+C[Si](C)(C)C#Cc1cccc(C(=O)OC(C)C)c1	263
+CC(C)OC(=O)c1cccc(c1)C#Cc2cc(F)c(CC(OCC)=O)cc2	129
+CC(C)Oc1c(cc(C(=O)O)cn1)Cl	7895
+CC(C)OC1CC=C(c2c(C)c(C(=O)O)no2)CC1	6
+CC(C)OC1CCC(CC1)N2CCC(CC2)Nc3cc(c(F)cc3[N+](=O)[O-])C	60
+CC(C)OC1CCC(CC1)N2CCC(CC2)Nc3c(cc(c(c3)C)F)N	0
+CC(C)OCC(CC)OCC(CC)O	850
+FC(F)(F)C(=O)OC(CC)COC(CC)COC(C)C	4352
+CC(C)OCC(O)CO	265
+CC(C)OCCCNc1c2ccc(cc2ncc1[N+](=O)[O-])Br	105
+CC(C)OCCCn1c(nc2c1c3ccc(Br)cc3nc2)COCC	546
+CC(C)OCCCNc1c2ccc(cc2ncc1N)Br	13
+CC(C)OCCCn1c2c3c(cc(N4C(C=CC=C4)=O)cc3)nc(N)c2nc1COCC	7896
+CC(C)OCCCn1c(nc2c1c3c(nc2N)cc(Br)cc3)COCC	461
+CC(C)OCCCn1c(nc2c(N)nc3c(ccc(N4CCCC4=O)c3)c12)COCC	461
+c12c(C(=O)N(C1=O)OCCCOCOC(C)C)cccc2	1395
+CC(C)ON=C(C(NC1C2SCC(CSc3nnnn3C)=C(N2C1=O)C(=O)O)=O)c4nc(sc4)N	999
+CC(C)Oc1c2cc[nH]c2ncc1	624
+n1c(cn(CCCCCCCC(OC)=O)c1)-c2ccccc2O	1206
+c1ccccc1-n2c(c(OC(C)C)c(Br)c2Br)C(O)=O	6
+c1cc(ccc1C(OC)OC)-c2nc(-c3cc(Br)c(OC(C)C)cc3)no2	1416
+FC(F)(F)C(Nc1ccc(OC(C)C)c(Br)c1)=O	759
+CC(C)Oc1c(ccc(OCC)c1)Br	116
+CC(C)Oc1c(Br)ccc2oc(C(O)=O)c(C)c12	6
+CC(C)Oc1c(ccc2c1c(c(CO)o2)C)Br	2184
+CC(C)Oc1c(C#N)cc(-c2onc(-c3ccc(cc3Cl)OCCCCN(C)C)n2)cc1	28
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3cccc4c3CCC4N5CC(C5)O)cc1	7897
+CC(C)Oc1c(C#N)cc(-c2onc(-c3cccc4C(NCC(CCl)O)CCc34)n2)cc1	122
+CC(C)Oc1c(C#N)cc(-c2onc(-c3c4c(C(NCCS(=O)(=O)C)CC4)ccc3)n2)cc1	4353
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(s2)-c3c(c(ccc3)CCC(=O)OCC)CC	159
+C[Si](C)(C)CCOCOc1cc(c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)cc1)Cl	529
+C[Si](C)(C)CCOCOc1ccc(cc1)-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2	910
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3c4c(C(O)CCC4)ccc3)cc1	529
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(-c3c(CC)c(CCC=O)ccc3)s2	578
+CC(C)Oc1c(c(c(OCc2ccccc2)cn1)C(=O)OC)C	128
+CC(C)Oc1cc(-c2cn(nc2)C)c3ccnc(O)c3c1C	320
+CC(C)Oc1ccc(c(c1Cl)COS(=O)(=O)C)Cl	7
+CC(C)Oc1ccc(cc1Cl)-c2c(C=O)cn(n2)C3OCCCC3	1196
+CC(C)Oc1ncc(OCc2cc(F)c(cc2F)C(OCC)=O)cc1Cl	483
+CC(C)Oc1ncc(Oc2c(cc(cc2)C#N)Br)cc1Cl	551
+CC(C)Oc1c(Cl)cc(F)c(N2C(C3=C(CCC3)N(C)C2=O)=O)c1	7898
+CC(C)Oc1c(Cl)cc(c(N2C(C3=C(NC2=O)CCC3)=O)c1)F	7899
+CC(C)Oc1ccc(cc1I)C(=N)NO	181
+CC(C)Oc1c(cc(I)cc1)OCC	116
+CC(C)Oc1c(O)cc(I)cc1	173
+CN(C)CCOc1ccc([N+]([O-])=O)c(OC(C)C)c1	57
+CC(C)Oc1ncc(O)c(c1C)C(=O)OC	321
+c1ccccc1COc2c(c(C)cc(n2)C)CN3CCc4cnc(c(c4C3=O)Cl)OC(C)C	4354
+CC(C)Oc1c(cc(cc1)-c2ncc(cn2)-c3c(c(ccc3)OCCCC(=O)OCC)CC)C#N	1207
+CC(C)Oc1ccc(C#C)cc1C(NC(CO)Cc2c[nH]c3ccccc23)=O	14
+CC(C)Oc1ncc(cc1Cl)-c2onc(-c3cncc4[nH]ccc34)n2	7900
+CC(C)Oc1ncc(-c2onc(-c3c(cc4c(cn[nH]4)c3)F)n2)cc1Cl	1828
+CC(C)Oc1ncc(-c2nc(-c3cc4c(n(CCCC(=O)OCC)nc4)cc3C)no2)cc1Cl	7901
+COc1c(cc(C(=O)C)c(I)c1)O	1206
+O=S(=O)(c1c(Nc2nc(Nc3c(OC(C)C)cc(c(Br)c3)C)ncc2C)cccc1)C(C)C	55
+c1cc(ccc1CCC)-c2nc(-c3cc(I)c(OC(C)C)cc3Cl)no2	2185
+CC(C)Oc1cc(c(I)cc1OC)C(O)C	4355
+CC(C)Oc1c(cc(cc1)-c2ncc(cn2)-c3c(c(ccc3)OCCCC(O)=O)CC)C#N	3
+CC(C)Oc1c(cc(C#C)cc1)C(O)=O	1
+CC(C)Oc1ccc(cc1Cl)-c2onc(c2)C(=O)OCC	1208
+CC(C)Oc1ccc(cc1C(=O)NC(CO)Cc2c[nH]c3ccccc23)I	14
+CC(C)Oc1cc(ccc1C#N)OCC	160
+CC(C)Oc1c2c(ccc1OC)C(CCC2)=O	1720
+CC(C)Oc1c2c(C)c(oc2ccc1Br)CCl	7902
+CC(C)Oc1c(OC(C)=O)cc(cc1)I	694
+c1ccccc1OC(Nc2ncc(c(OC(C)C)c2)C#N)=O	278
+O(C)c1c2-c3c(O)cccc3C(=O)c2ccc1	1206
+c1cc(ccc1S(=O)(=O)n2c3c(c(OC(C)C)ccn3)c(c2)I)C	276
+CC(C)Oc1c2c(C(CCC2)=C)ccc1OC	1707
+CC(C)Oc1c2c(c[nH]c2ncc1)I	1361
+CC(C)Oc1c(C)c2c(c(c1)Br)ccnc2O	7903
+CC(C)Oc1c(c2c[n+]([O-])ccc2c(Br)c1)C	103
+CC(C)Oc1cc(C(O)=O)cc(c1)Br	329
+CC(C)Oc1cc(C(=O)Nc2ccc(cn2)C(O)=O)cc(OCC(C)C)c1	1
+O=S(=O)(c1ccccc1S(=O)(=O)N)NC(=O)c2ccc(c(OC(C)C)c2)Br	258
+CC(C)Oc1cc(C(=O)O)ccc1Br	1
+CCOP(OCC)(c1sc(C(c2cc(cc(C(O)=O)c2)OC(C)C)O)cc1)=O	7904
+CC(C)Oc1ccc(CO)c(c1)C	41
+CC(C)Oc1cc(c(cc1OC)Br)C(O)C	4355
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2C)[N+]([O-])=O)OC(C)C	632
+c1cc(ccn1)-c2cc(OC(C)C)c(cc2C)[N+]([O-])=O	7905
+COc1cc(Br)c(cc1O)C(=O)C	1206
+CC(C)Oc1c(cc(c(C)c1)Br)N	0
+CC(C)Oc1c(Cl)cc(c(NC(=O)NC=2CCCC=2C(OCC)=O)c1)F	7906
+CC(C)Oc1c(cc(I)c(C(=O)C)c1)OC	155
+CC(C)Oc1ccc(CN2Cc3ccc(cc3CC2)C(C)NC(=O)C)c(C)c1	131
+CC(C)Oc1cc(c(Br)cc1OC)C(C)=O	155
+CC(C)Oc1c(cc(c(c1)C2=CCC(CC2)N(C)C)C)[N+]([O-])=O	7907
+CC(C)Oc1cc(Br)c2c(c1C)c(OC(=O)C)ncc2	174
+CC(C)Oc1cc(cc(c1)C(Nc2ccc(cn2)C(=O)OC)=O)O	16
+CC(C)Oc1cc(Oc2nccnc2)cc3B(O)OC(CC(O)=O)c13	3
+CC(C)Oc1cc(ccc1)-c2cncc3cc(C=C4C(=O)NC(=O)S4)oc23	2025
+CC(C)Oc1cc(ccc1)-c2c3c(cnc2)cc(o3)C=O	2084
+CC(C)Oc1cc(ccc1)C(=O)COc2ccc(cc2)-c3cc(OCOC)no3	702
+c1cc(ccc1OCC(O)c2cccc(OC(C)C)c2)-c3cc(OCOC)no3	74
+O=S1(=O)NCC2(CC(C)N(Cc3cccc(OC(C)C)c3)CC2)N1c4cccc(c4)F	131
+CC(C)Oc1cccc(CCO)c1	95
+CC(C)Oc1cc(CCc2[nH]nc(Nc3ccnc(Cl)n3)c2)ccc1	349
+CC(C)Oc1c(N)ccc(c1)N2CCC3(N(CCC3)CC)C2	0
+O=S(=O)(c1ccc(cc1)C)OC(CC=Cc2cncc(c2)OC(C)C)C	36
+CC(C)Oc1nn(c(c1)CCC(=O)NS(=O)(=O)C(C)C)Cc2c(cc(cc2)Cl)Cl	344
+CC(C)Oc1ccc(-c2nc(no2)-c3cccc(c3CC)CCC(=O)O)cc1Cl	3
+CC(C)Oc1ccc(-c2nc(-c3cccc4ccn(c34)C)no2)cc1Cl	7908
+CC(C)Oc1ccc(-c2nc(no2)-c3ccc(OCC(OCC)=O)c4c3occ4)cc1Cl	52
+CC(C)Oc1ccc(-c2nc(-c3ccc(OCCCC(=O)OCC)c4c3occ4)no2)cc1Cl	8
+CC(C)Oc1ccc(-c2nc(-c3ccc(c4c3occ4)OCCCC(=O)O)no2)cc1Cl	3
+CC(C)Oc1ccc(-c2nc(no2)-c3c4n(C)cc(C=O)c4ccc3)cc1Cl	287
+CC(C)Oc1ccc(-c2nc(-c3c(c(CCC(=O)OCC)ccc3)CC)no2)cc1Cl	7909
+CC(C)Oc1ccc(-c2onc(-c3cccc4c(CNCCC(=O)OCC)cn(C)c34)n2)cc1Cl	249
+CC(C)Oc1ccc(-c2nc(no2)-c3c4c(c(cc3)OCC(O)=O)cco4)cc1Cl	3
+c1(c(cc(-c2nc(on2)-c3cc(c(cc3)OCCC)Cl)cc1)I)O	1206
+CC(C)Oc1ccc(-c2onc(-c3cccc4c(CNCCC(=O)O)cn(C)c34)n2)cc1Cl	3
+CC(C)Oc1ccc(-c2onc(-c3cccc4c3n(cc4CN5CCC(CC5)C(=O)O)C)n2)cc1Cl	3
+c1cc(ccc1C#Cc2ccc(c(C(=O)NC(CO)Cc3c[nH]c4ccccc34)c2)OC(C)C)C(=O)O	129
+CC(C)Oc1ccc(cc1C(O)=O)C#Cc2ccccc2OC	1
+CC(C)Oc1ccc(cc1Cl)-c2nc(-c3c4c(ccc3)n(CCC(=O)OCC)nc4)no2	7910
+C[Si](C)(C)CCOCOc1c2ccoc2c(-c3noc(n3)-c4cc(Cl)c(cc4)OC(C)C)cc1	7911
+CC(C)Oc1ccc(-c2nc(no2)-c3c(c(ccc3)Br)CC)cc1Cl	529
+CC(C)Oc1ccc(-c2nc(-c3ccc(Br)c4c3ccn4CC)no2)cc1Cl	529
+CC(C)Oc1c(cc(C(=O)O)cc1)C	1
+CC(C)Oc1c(cc(cc1)C(CC(C(OCC)=O)=O)=O)Cl	633
+CC(C)Oc1ccc(COc2ccc3c(c(c4C(CC(=O)O)CCn34)Cl)c2)cc1C#N	573
+CC(C)Oc1c(Cl)c(c(cc1)Cl)CO	49
+CC(C)Oc1ccc(Cl)c(c1Cl)C(O)=O	634
+CC(C)Oc1cc2c([nH]nc2N)cc1	7912
+C1CN(CCC1=Cc2cc(Oc3ccc(cn3)OC(C)C)ccc2)C(=O)Nc4nnccc4	437
+CC(C)Oc1c(cc(S(=O)(=O)C)cc1)C(N2Cc3c(c(F)ccc3)C2)=O	7913
+CC(C)Oc1ccc(cc1C(N2CC(OS(=O)(=O)C)CC2)=O)S(=O)(=O)C	7
+CC(C)Oc1ccc(cc1C(N2CCC(Oc3c(cc([N+](=O)[O-])cc3)F)C2)=O)S(=O)(=O)C	20
+CC(C)Oc1ccc(cc1C(N2CCC(Oc3c(cc(cc3F)C(=O)CC)F)C2)=O)S(=O)(=O)C	20
+FC(F)(F)c1cccc2c1CN(CC2)C(c3cc(S(=O)(=O)C)ccc3OC(C)C)=O	30
+CC(C)Oc1ccc(S(=O)(=O)C)cc1C(=O)N	169
+CC(C)Oc1ccc(N)c(C#N)c1	0
+CC(C)Oc1ccc(cc1)-c2cc(cc(n2)-c3ncccc3)F	4356
+c1cc(ccc1-n2c(C(=O)OCC)c(c3cc(-c4ccc(cc4)OC(C)C)ccc23)Br)OC(C)C	1194
+O=S(=O)(c1c(Cl)ccc(Cl)c1)Nc2ccc(c(c2)-c3nc4cc(-c5ccc(cc5)OC(C)C)ccc4o3)Cl	69
+CC(C)Oc1ccc(cc1)-c2cc3c(cc2)oc(n3)-c4cc(N)ccc4Cl	0
+CC(C)Oc1c(Br)cc(cc1)N	0
+O=S(=O)(c1cc(C(=O)N2CCC(Oc3ccc4ccccc4c3)C2)c(cc1)OC(C)C)C	624
+c1ccccc1C#Cc2cc(C(NC(C(OC)=O)(Cc3c4c([nH]c3)cccc4)C)=O)c(OC(C)C)cc2	259
+CC(C)Oc1c(C(=O)NC(CO)Cc2c3ncccc3[nH]c2)cc(cc1)C#Cc4ccccc4OC	14
+CC(C)Oc1c(cc(cc1)I)C(O)=O	1
+CC(C)Oc1ccc(C#Cc2ccccc2OC)cc1C(=O)OC	129
+c1ccccc1C#Cc2ccc(OC(C)C)c(C(=O)OC)c2	129
+CC(C)Oc1c(cc(cc1)-c2c(C=O)cn[nH]2)Cl	747
+CC(C)Oc1ccc(-c2cc(no2)COc3ccc(cc3)C#N)cc1Cl	20
+CC(C)Oc1ccc(-c2cc(C(O)=O)no2)cc1Cl	6
+CC(C)Oc1ccc(cc1Cl)-c2cc(no2)CO	194
+CC(C)Oc1ccc(-c2noc(-c3cc(Cl)c(cc3)OCCC)n2)cc1I	529
+O=S(=O)(c1c(OC(C)C)ccc(-c2ccc(C(NC)=O)c(c2)Cl)c1)NC(Cc3c[nH]c4c3cccc4)CO	11
+CC(C)Oc1cnc(cc1)C=O	178
+CC(C)Oc1ccc(nc1)CO	59
+CC(C)Oc1cccc(c1)CC=O	24
+CC(C)Oc1cc(C)c(cc1)C=O	151
+CC(C)Oc1cc(ccc1)CC(O)C	2700
+CC(C)Oc1cc(ccc1)CCc2cc(N)[nH]n2	4357
+c1ccccc1-c2c3cccc(OC(C)C)c3nc(C)n2	198
+CC(C)Oc1c2-c3c(cccc3OC)C(c2ccc1)=O	7914
+CC(C)Oc1c(cccc1)OC(=O)C	385
+CC(C)Oc1ccc(C(C)=O)nc1	955
+CC(C)Oc1cnc(cc1)C(O)C	4224
+CC(C)Oc1cc(cnc1)C=CCC(C)O	1514
+CC(C)Oc1n[nH]c(Nc2c(cnc(Cl)n2)[N+]([O-])=O)c1	349
+CC(C)Oc1n[nH]c(Nc2nc(Cl)ccc2[N+](=O)[O-])c1	346
+n1cc(cnc1C(C)Nc2ncc3c(n2)n(-c4n[nH]c(c4)OC(C)C)cn3)F	2610
+CC(C)Oc1cc(n[nH]1)-n2c3c(cnc(NC(c4ccc(F)cn4)C)n3)nc2	2610
+CC(C)Oc1n[nH]c(Nc2c([N+](=O)[O-])cnc(n2)NC(c3ccc(F)cn3)C)c1	96
+CC(C)Oc1n[nH]c(Nc2c([N+](=O)[O-])cnc(NC(C)c3ncc(cn3)F)n2)c1	96
+CC(C)Oc1cc([nH]n1)Nc2c(ccc(n2)NC(C)c3ncc(F)cc3)[N+]([O-])=O	70
+CC(C)Oc1ncc(-c2nc(-c3cc4c(n(CCCC(O)=O)nc4)cc3C)no2)cc1Cl	3
+CC(C)Oc1ncc(-c2onc(-c3cc4c(cc3F)n(nc4)CCCC(=O)OCC)n2)cc1Cl	1090
+CC(C)Oc1ncc(-c2onc(-c3cc4cnn(CCCC(O)=O)c4cc3F)n2)cc1Cl	3
+CC(C)Oc1ncc(OCc2c(cc(c(F)c2)C(=O)O)F)cc1Cl	6
+CC(C)Oc1ncc(Oc2c(-c3c(nccc3)OC)cc(cc2)C(=O)N)cc1Cl	216
+CC(C)Oc1ncc(Oc2ccc(C(=O)NS(=O)(=O)C)cc2-c3c(nccc3)OC)cc1Cl	4358
+CC(C)Oc1ncc(Oc2c(-c3c(nccc3)OC)cc(C#N)cc2)cc1Cl	305
+CC(C)Oc1ncc(cc1Cl)-c2nc(no2)-c3cncc4n(ccc34)CCCC(O)=O	3
+CC(C)Oc1ncc(cc1Cl)-c2nc(no2)-c3cncc4n(ccc34)CCCC(=O)OCC	7915
+CC(C)Oc1ncccc1Nc2ncnc3sc(c(C)c23)C(OC)=O	4359
+CC(C)Oc1ncccc1Nc2c3c(C)c(sc3ncn2)C(=O)O	1
+CC(C)Oc1ncccc1N	13
+CC(C)Oc1cc(n(n1)Cc2c(cc(cc2)Cl)Cl)CCC(=O)O	3
+CC(C)Oc1nn(Cc2c(cc(cc2)Cl)Cl)c(CCC(OCC)=O)c1	1253
+CC(C)Oc1nn(c(C=O)c1)Cc2ccc(cc2Cl)Cl	178
+CC(C)Sc1nc(C(OCC)=O)ccn1	1721
+CC(C)Sc1c(cc(cc1)[N+](=O)[O-])C=O	972
+CC(C)Sc1c(cc([N+]([O-])=O)cc1F)C=O	411
+CC(C)Sc1ccccc1C=O	411
+O=S(=O)(C(C)C)NC(c1ccc(cc1)Oc2cc(N3N=C(N(C3=O)C(F)F)C)c(F)cc2Cl)=O	2909
+CC(C)S(=O)(=O)NC1CCCCC1(O)c2ccc(cc2)OC	1035
+c1cc(ccc1-c2ccc(cc2)CC#N)C3CCCC3NS(=O)(=O)C(C)C	756
+c1cc(ccc1-c2ccc(cc2)C#N)C3CCCC3NS(=O)(=O)C(C)C	134
+CC(C)S(=O)(=O)NC1CCCC1c2ccc(cc2)N	0
+CC(C)S(=O)(=O)NC1C(CCC1)c2ccc(cc2)I	184
+CC(C)S(=O)(=O)NC1C(CCC1)c2ccc(cc2)[N+]([O-])=O	77
+C1CC(CCC1NS(=O)(=O)C(C)C)CNc2scc(-c3cccc(Br)n3)n2	3282
+O=S(=O)(NC1C(CCC1)=O)C(C)C	86
+CC(C)S(=O)(=O)NC1CCCC1c2ccc(cc2)NS(=O)(=O)C	80
+CC(C)S(=O)(=O)NC1C(=O)CCCC1	86
+c1cc(ccc1-n2nccc2NS(=O)(=O)C(C)C)Br	4360
+CC(C)S(=O)(=O)Nc1c(C(=O)O)cnn1-c2ccc(cc2)Br	6
+CC(C)S(=O)(=O)c1ccc(N)cc1C#N	0
+O=S(=O)(c1cc(C#N)ccc1C=O)C(C)C	2910
+CC(C)S(=O)(=O)c1ccccc1Nc2nc(ncc2Cl)Cl	73
+O=S(=O)(c1ccccc1Nc2nc(ncc2C)Cl)C(C)C	73
+O=S(=O)(c1ccccc1Nc2nc(ncn2)Cl)C(C)C	360
+CC(C)S(=O)(=O)c1ccccc1Nc2cc(ncc2Cl)Nc3c(cc(-c4ccc(cc4)C(OC)=O)c(c3)C)OC	7916
+O=S(=O)(NC(Nc1nc(C)cc(n1)C)=O)c2ccccc2S(=O)(=O)C(C)C	1722
+CC(C)S(=O)(=O)c1ccc(NC(=O)N(C)C)cc1C#N	2083
+O=S(=O)(C(C)C)c1ccc(cc1CN)NC(=O)N(C)C	107
+C[Si](C)(C)C#Cc1c(N)ncc(-c2ccc(cc2)S(=O)(=O)C(C)C)n1	4345
+CC(C)c1nc2c(n1-c3cccc(Oc4cc(S(=O)(=O)C(C)C)ccc4)c3)cccc2Cl	46
+CC(C)S(=O)(=O)c1ccccc1Nc2nc(Nc3cc(c(C4CCN(CC4)S(=O)(=O)C)c5CC(C)Oc35)C)ncn2	112
+CC(C)S(=O)(=O)c1ccccc1Nc2nc(Nc3cc(P(C)(C)=O)ccc3OC)ncc2Cl	55
+CC(C)S(=O)(=O)c1c(cccc1)S(=O)(=O)N=C=O	4361
+CC(C)SC(C)(C)C(C(O)=O)NC(=O)OCC	544
+CC(C)SCCCCCCCCCCCC(=O)Nc1ccccc1OCCCC(=O)N	728
+CC(C)SCCCCCCCCCCCC(=O)Nc1ccccc1OCCCC(OCC)=O	33
+CC(C)Sc1c(C=C)cc(cc1)[N+]([O-])=O	443
+CC(C)Sc1ccccc1C=C	443
+c1cc(ccc1)C(=O)Oc2cc(Cl)c(c(c2)Cl)OCCCOc3ccc(cc3)-n4c(SC(C)C)nnn4	20
+c1cc(ccc1OCCC(Br)O)-n2c(nnn2)SC(C)C	1791
+CC(C)Sc1nc(ccn1)CO	194
+Fc1cc(cc(F)c1OCc2ccnc(SC(C)C)n2)CCC(=O)OCC	20
+c1cc(ccc1OC)COc2cc(C(O)C(C)C)c(-c3cc(ccc3F)OC)cc2	4257
+CC1(C)Oc2c(cc(Br)c(c2Cl)OCC)C(=C1)C(C)C	2911
+CC1(C)Oc2cc(OC)c(cc2C(=C1)C(C)C)Br	2911
+CC1(C)C=C(c2c(cc(OCC)c(c2)Br)O1)C(C)C	2911
+CC1(C)c2c(cc(Br)c(C)c2)C(CC1)(C(C)C)O	7917
+CC(C)C(O)c1cc(C)c(cc1O)OC	4362
+CC(C)C(O)c1cc(Br)ccc1O	4362
+CC(C)[SiH](C(C)C)c1c(cc(cc1C)OCCCOC2CCCCO2)C	7918
+CC(C)[SiH](C(C)C)c1c(C)cc(cc1C)OCCC(=O)NCc2ccccc2	9
+CC(C)[SiH](C(C)C)c1c(C)cc(cc1C)OCCCO	168
+c1nc(NC2c3c(ccc(c3)C#C)N(C(C)C2)C(=O)C)ccc1C	7919
+CC(C)[Si](C(C)C)(C(C)C)C#Cc1ccc2N(C(C)CC(c2c1)Nc3ccc(cn3)C)C(=O)C	340
+CC(C)[Si](C(C)C)(C(C)C)c1cccc(c1C(=O)N(CC)CC)Cl	1091
+CC(C)[Si](C(C)C)(C(C)C)OCCc1cc(F)cc(F)c1	19
+CC(C)[Si](C(C)C)(C(C)C)OCc1c(N)ncc(Br)c1	19
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(c(ccc1)[N+]([O-])=O)N	154
+CC(C)[Si](C(C)C)(C(C)C)n1c2c(c(C=O)c1)cccn2	7920
+CC(C)[Si](C(C)C)(C(C)C)c1cc(ccc1)-c2ccccn2	1803
+CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)ccc12	7921
+CC(C)[Si](C(C)C)(C(C)C)OCCCC(O)COCc1ccccc1	19
+CC(C)[Si](C(C)C)(C(C)C)OCC(COCc1ccc(cc1)Br)C	19
+CC(C)[Si](C(C)C)(C(C)C)Oc1ccc(cc1)C=O	154
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)Br	19
+CC(C)[Si](C(C)C)(C(C)C)OCC#Cc1cc2OCCN3c2c(c1)C(=O)C(C(NCc4ccc(cc4)Cl)=O)=C3	4177
+CC(C)[Si](C(C)C)(C(C)C)Oc1cccc2[nH]ccc12	154
+CC(C)[Si](C(C)C)(C(C)C)OC1CN(CC1)c2n3c(ccc(c3)OC4CCC(c5c4cccc5)N)nn2	870
+CC(C)[Si](C(C)C)(C(C)C)OCC(c1ccccc1)C(Nc2cc3c(cncc3)cc2)=O	33
+CC(C)[Si](C(C)C)(C(C)C)OCC(C(=O)O)c1ccccc1	4
+c1cc(ccc1)C(CO)C(Nc2ccc3c(c2)ccnc3)=O	1209
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)CC(OC)=O	774
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)=CC(=O)OC	1513
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)CC(=O)N2C(COC2=O)Cc3ccccc3	2912
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)CC(=O)O	4
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)=O	86
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCN(C1)c2nnc3n2cc(cc3)OC4CCC(c5c4cccc5)N	870
+c1ccccc1COCC(OS(=O)(=O)C)CCCO	1209
+CC(C)[Si](C(C)C)(C(C)C)OCCCC(COCc1ccccc1)OS(=O)(=O)C	7
+CC(C)[Si](C(C)C)(C(C)C)OCCN1CCN(CC1)c2nnc3ccc(OC4CCC(c5c4cccc5)N)cn23	870
+CC(C)[Si](C(C)C)(C(C)C)OCCc1cc(F)c(c(c1)F)C=NOCC	135
+Fc1cc(cc(F)c1C=NOCC)CCO	1209
+CC(C)[Si](C(C)C)(C(C)C)OCCc1cc(F)c(c(F)c1)C=O	151
+CC(C)[Si](C(C)C)(C(C)C)OCc1c2nccn2cc(Br)c1	4363
+o1c(cc(CO)c1C)C(=O)OC	1209
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)C(O)c2cc(ccc2)C#N	257
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)C(CNC(OC(C)(C)C)=O)C(=O)Nc2ccc(C(=O)N)c(F)c2	33
+CC(C)(C)OC(=O)NCC(c1ccc(cc1)CO)C(=O)Nc2ccc(C(=O)N)c(F)c2	1209
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)C(c2cc(ccc2)C#N)OC3OCCCC3	219
+c1cc(ccc1CO)C(c2cc(ccc2)C#N)OC3OCCCC3	1209
+CC(C)[Si](C(C)C)(C(C)C)OCc1nonc1C=2N(c3ccc(c(c3)Cl)F)C(ON=2)=O	7922
+O=C1N(C(=NO1)c2c(non2)CO)c3cc(Cl)c(F)cc3	1209
+CC(C)[Si](C(C)C)(C(C)C)OC1CN(c2nnc3n2cc(cc3)F)CC1	655
+CC(C)[Si](C(C)C)(C(C)C)OCC1CN(CC1)c2n3cc(ccc3nn2)F	655
+CC(C)[Si](C(C)C)(C(C)C)n1ccc(c1-c2ccc(cc2)F)-c3ccncc3	7923
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=O)F	24
+CC(C)[Si](C(C)C)(C(C)C)Oc1cccc2nc(cnc12)O	7924
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(N)c(ccc1)N	0
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(F)cc(cc1F)CC(CO)CCc2ccc(cc2)C#N	21
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F	1992
+c1c2c(cccc2O)n(-c3ccnc(SC)n3)c1	7925
+CC(C)[Si](C(C)C)(C(C)C)Oc1ccc(cc1)C=C	443
+CC(C)[Si](C(C)C)(C(C)C)Oc1c2ccn(-c3nc(SC)ncc3)c2ccc1	2186
+FC(F)(F)c1cc(-c2ocnc2)cc(N3CCN(CC3)C(C)=O)c1	7926
+CC(C)[Si](C(C)C)(C(C)C)c1oc(-c2cc(cc(C(F)(F)F)c2)N3CCN(CC3)C(C)=O)cn1	7927
+CC(C)[Si](C(C)C)(C(C)C)n1cc(c2c1nccc2)C(O)c3c(F)nc(NCc4ccccc4Cl)cc3	7928
+CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(cccc12)N(C(CNC)=O)c3ccccc3	402
+Clc1c2cc[nH]c2ncc1Br	1723
+c1(F)c2cc[nH]c2ncc1Br	1723
+c1cc(ccc1-c2c(-c3cc(F)ncc3)c(C4=CCN(C(OCC=C)=O)CC4)c[nH]2)F	7929
+c12c(C(c3c(F)nc(cc3)NCc4c(Cl)cccc4)O)c[nH]c1nccc2	1723
+C1COCCN1Cc2c[nH]cc2	7930
+c1ccccc1N(C(=O)CNC)c2c3cc[nH]c3ccc2	7931
+c1ccccc1COC(=O)c2cc3cc[nH]c3nc2	1723
+c1(F)c2cc[nH]c2ncc1Cl	1723
+CC(C)[Si](C(C)C)(C(C)C)n1c2ccc(C(C3(c4ccccc4)CN(C(=O)OC)CC3)O)cc2cc1	1482
+CC(C)[Si]1(C(C)C)O[Si](C(C)C)(C(C)C)OC2C(O)C(n3c4ncnc(N)c4c(C(N)=O)c3)OC2CO1	7932
+c1cc(ccc1)Cn2c3cc(ccc3c(C=O)c2C(C)C)C(OCC)=O	190
+CC(C)c1[nH]nc(c1Cc2c(OCc3ccccc3)cccc2)OC4OC(C(C(C4O)O)O)CO	59
+CC(C)c1c(c(OC2OC(C(C(C2O)O)O)CO)n[nH]1)Cc3ccccc3O	16
+c1ccccc1COc2ccc(-c3nc(ccc3)-n4c(ccc4C)C)c(C(C)C)c2	119
+CC(C)c1c(c2c(cc(C(O)=O)cc2)n1Cc3ccccc3)C(=O)NCc4cc(F)c(cc4)F	6
+CC(C)c1c(c2c(cc(cc2)CO)n1Cc3ccccc3)C(NCc4cc(F)c(cc4)F)=O	217
+CC(C)c1n(c2c(c1C(=O)NCc3cc(F)c(cc3)F)ccc(C(O)=O)c2)Cc4occn4	6
+c1cc(ccc1F)-n2c(CO)c(C(C)C)c(C(OC)=O)n2	629
+CC(C)c1c(C(=O)OC)c(c(CC)n1Cc2ccccc2)CCCC	4364
+CC(C)c1n(Cc2ccccc2)c(c(CCCC)c1C(=O)O)CC	1
+CC(C)c1c([nH]c(C)c1C(=O)OCC)I	3989
+CC(C)c1c(CO)c(c(C(=O)OCC)c(n1)C(C)C)-c2ccc(cc2)F	351
+CC(C)c1c(CO)cccn1	351
+c1c(Cl)c(c(cc1)Cl)SCc2c(c(C(C)C)on2)COC	1043
+CC(C)c1c(C(=O)O)n(-c2ccc(cc2)F)nc1C(=O)OC	426
+CC(C)c1nc(c(CO)c(-c2ccc(cc2)S(=O)C)c1C=CCCC)C(C)C	357
+CC(C)c1c(cc2OCOc2c1)CCO	21
+c1cc(ccc1F)-c2c(CCl)c(nc(C(C)C)c2C(OCC)=O)C(C)C	447
+CC(C)c1c(cccn1)CCl	1045
+CC(C)c1c(COc2cc(C)c(cc2)C=COC)n(nc1)-c3c(Cl)cccc3Cl	1417
+c1c(Cl)c(c(cc1)Cl)-c2c(c(on2)C(C)C)COc3cc(c(cc3)-c4cc5c(s4)cccc5C(=O)O)C	2187
+CC(C)c1cc(S(=O)(=O)Cl)ccc1Cl	4365
+CC(C)c1c(N)ncnc1N2CCC(c3n(cc(-c4cc(c(cc4)F)C)n3)CCO)C(F)C2	54
+Cc1cc(cc(C)c1Oc2nnc(Cl)c(C(C)C)c2)CC(OC)=O	1119
+Clc1cc(cc(Cl)c1Oc2cc(c(Cl)nn2)C(C)C)CCO	1119
+CC(C)c1c(N)ncnc1N2CCC(C(F)C2)c3n(CCNC)cc(-c4cc(c(cc4)F)C)n3	1130
+C1C(CC1)C(c2c(c(C(C)C)ccc2)O)(O)C	1033
+CC(C)c1cc(C(C)C)ccc1O	4366
+O=S(=O)(Oc1ccc(cc1C(C)C)OC)c2ccc(cc2)C	1163
+CC(C)c1c(OC)cccc1	65
+CC(C)c1cc(ccc1O)Cl	662
+CC(C)c1cc(cnc1Cl)[N+](=O)[O-]	137
+c1c(Cl)c(c(cc1N2N=C(C(NC2=O)=O)C#N)Cl)Sc3cc(C(C)C)c(O)nn3	3298
+CC(C)c1c(OC)cc(c(Oc2c(Br)cc(cc2Br)CC(O)=O)c1)C(c3cc(C)ccc3)=O	4
+CC(C)c1c(ccc(C(O)c2c(C)cc(cc2)OC)c1C)OC	257
+O=S(=O)(Cl)c1ccc(c(c1)C(C)C)OC	240
+c1cc(ccc1)COc2c(C(C)C)cc(-c3onc(c3)C(=O)OCC)c(OCc4ccccc4)c2	1208
+c1cc(ccc1)Nc2c(Oc3c(cc(c(C)c3)OC)C(C)C)cnc(N)n2	73
+CC(C)c1c(Oc2c(Cl)nc(nc2)N)cc(c(OC)c1)C	64
+CC(C)c1ccc(Cl)cc1[N+](=O)[O-]	594
+CC(C)c1cc(C(C)C)c(c(Br)c1)OCCC	116
+CC(C)c1cccc(C)c1CCl	109
+CC(C)c1[nH]nc(c1Cc2ccccc2OCc3cccc(Cl)c3)OC4OC(C(C(C4O)O)O)CO	22
+CC(C)c1cc(c(c(c1)C(C)C)OC)-c2csc3c2cc(C(C)=CC(OC)=O)cc3	65
+CC(C)c1c(c(cc(Oc2c(cc(N)c(C)c2Br)Br)c1)CO)O	0
+CC(C)c1c(c(C)ccc1)CO	41
+CC(C)c1onc(c1CC(=O)NCc2c(cc(F)cc2)Cl)C(C)C	9
+CC(C)c1c(c(no1)COc2c(Cl)cccc2Cl)COc3cc4c(cc3)n(cc4)Cc5cc(ccc5)C(=O)O	1
+CC(C)c1ccc(c(c1)OCc2c3ccccc3c(nc2C)-c4c(ccc5[nH]ncc45)C(C)C)C	7933
+c1ccccc1Cn2c3cc(O)ccc3c(C(NCc4cc(F)c(cc4)F)=O)c2C(C)C	5
+c1cc(ccc1)Cn2c3cc(ccc3c(C(NCc4cc(F)c(cc4)F)=O)c2C(C)C)C=O	39
+CC(C)c1nn2c(c(CO)ccc2OC)c1C(O)=O	426
+CC(C)c1c(c2ccc(O)cc2n1Cc3ccccn3)C(=O)NCc4cc(F)c(cc4)F	5
+c1cc(ccc1)S(=O)(=O)n2cc(c(C(C)C)c2Br)C(=O)OC	917
+CC(C)c1c(C(O)=O)cc([nH]1)-c2ccnc(C=Cc3ccccc3)c2	6
+CC(C)c1c(cc(c(B(O)O)c1)OC)F	493
+CC(C)c1c(cc(OC)c(OC)c1)Cc2cnc(nc2NCC)SC	40
+CC(C)c1cc(OC)c(OC)cc1Cc2c(nc(S(=O)(=O)C)nc2)NCC	528
+FC(F)(F)c1cc(N)c(cc1C)-c2cc(c(F)cc2OC)C(C)C	134
+FC(F)(F)c1ccc(-c2cc(C(C)C)c(cc2OC)F)c(CO)c1	134
+c1ccccc1-c2c(C(C)C)nc(c(C#N)c2)N3CCNC(C)C3	43
+CC(C)c1ccc(Br)cc1C(O)c2cc3N(Cc4ccccc4)CCOc3cc2	257
+c1ccccc1CN2c3c(CCC2)ccc(c3)C(O)c4cc(Br)ccc4C(C)C	257
+CC(C)c1c(CC(O)=O)cc2OCOc2c1	270
+CC(C)c1cc(Oc2c(Br)cc([N+](=O)[O-])c(C)c2Br)ccc1O	5
+CC(C)c1c(ccc(Oc2c(Br)cc([N+](=O)[O-])c(C)c2Br)c1)OC	4367
+c1(Br)cc(cc(Br)c1Oc2cc(c(cc2)OC)C(C)C)CC(OC)=O	4367
+CC(C)c1cccc2C(=O)C(Nc12)=O	1418
+CC(C)c1[n+]([O-])cccc1CCl	103
+FC(F)(F)c1cnc(cc1)-n2nc(C(C)C)c(c2)C(=O)OCC	1706
+CC(C)c1cc(Cl)ncc1CO	382
+CC(C)c1cc(ncc1C(O)C)Cl	2129
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3ccc(c(c3)C)-c4cc(OCCCC)c(C(O)=O)cc4	500
+CC(C)c1c(COc2cc(C)c(cc2)C=O)n(nc1)-c3c(Cl)cccc3Cl	146
+CC(C)c1c(n2ncc(Br)c2nc1C)OC	4055
+CC(C)c1c(C)nc(nc1Cl)SC	64
+CC(C)c1c(nc(Nc2c(C(=O)N)nnc(c2)Cl)cc1)OC	314
+c1c(C)c(c(cc1N)C)Oc2ccc3[nH]nc(c3c2)C(C)C	0
+CC(C)c1cc(nc2c1c(ccc2C)C)Cl	532
+CC1(C)OB(OC1(C)C)c2cc3c(n(C)cc3C(C)C)c(c2)C(=O)NCc4c(nc(C)cc4C)O	17
+CC1(C)OB(OC1(C)C)c2cnc3c(c(C(C)C)c[nH]3)c2	234
+CC(C)c1c2c(ncnc2sc1)N3C4CC(C(OCCOS(=O)(=O)C)C4)C3	7
+CC(C)c1c2c(ncnc2sc1)N3C4CC(OCCN5CC6CC5CO6)C(C4)C3	123
+CC(C)c1c2cc(Br)cc(C(O)=O)c2[nH]c1	2160
+CC(C)c1c2cc(cc(C(=O)O)c2n(C)c1)Br	144
+CC(C)c1cn(c2c1cc(-c3ccc(nc3)C)cc2C(O)=O)C	305
+CC(C)c1c2c(c(cc(c2)Br)C(NCc3c(nc(C)cc3C)O)=O)n(C)c1	56
+c1cc(ccc1)Cc2c(c(nc(C)c2)O)CNC(c3c4n(C)cc(C(C)C)c4cc(c3)Br)=O	56
+CC(C)c1c2c([nH]n1)ccc(Oc3c(C)cc(cc3C)[N+]([O-])=O)c2	46
+c1cc(ccc1)Nc2nc3c(cn2)ccc(OC)c3C(C)C	744
+CC(C)c1c2nc(ncc2ccc1OC)Cl	1047
+CC(C)c1c[nH]c(c1)C(O)=O	1
+CC(C)c1c(c(cc(C(C)C)c1)-c2csc3ccc(C(C)=CC(OC)=O)cc23)O	241
+CC(C)c1cc(c(cc1)N)C=2CCCCC=2	989
+CC(C)c1cc(C#N)c(N)cc1	180
+CC(C)c1cc(Br)ccc1OCc2ccccc2	139
+CC(C)c1cc(Br)ccc1OCc2ccccc2	22
+CC(C)c1cc(ccc1OCc2ccccc2)C=O	146
+c1cc(ccc1Oc2ccc(OCc3ccccc3)c(C(C)C)c2)OCC	304
+CC(C)c1cc(c(cc1)Nc2ccc(cc2[N+](=O)[O-])F)C#N	275
+C1CC1(N)c2cc(C(C)C)ccc2	4368
+CC(C)c1sc2N=c3ccc(C(N)=O)cn3C(=O)c2c1	3370
+CC(C)c1c(cc(c(CC(OC)=O)c1)C)OC	27
+CC(C)c1c(cnc(c1)Cl)C=O	200
+O(C)B(OC)c1cc(C(C)C)c(cc1OC)F	4369
+CC(C)c1cc(NNC(Nc2cc(Cl)cc(Cl)c2)=O)nc3c(C)ccc(C)c13	7934
+c1ccccc1COc2cc(C(C)C)ccc2C=O	22
+CC(C)c1ccc(c(c1)OCc2c(nc(Cl)nc2C)Cl)C	2171
+CC(C)c1ccc(c(c1)OCc2c3ccccc3c(Cl)nc2C)C	751
+CC(C)c1nc(c(c(O)c1)[N+](=O)[O-])O	475
+CC(C)c1cc(OC)c(OC)cc1Cc2cnc(nc2NCC)N	1408
+CC(C)c1cc(c(C(N)=O)cc1Oc2cnc(nc2N)N)OC	7935
+CC(C)c1c(cc(C2=NCCN2)c(OC)c1)Oc3cnc(nc3N)N	2086
+CC(C)c1c(cc(c(OC)c1)C(=NO)N)Oc2cnc(nc2N)N	253
+O=S(=O)(NCCc1ccc(C(C)C)cc1OCC(=O)OCC)c2c(OC)ccc(C#N)c2	71
+CC(C)c1cc(Oc2c(cc(c(C)c2Br)[N+]([O-])=O)Br)cc(C=O)c1O	502
+CC(C)c1c(c(cc(c1)Oc2c(cc(c(C)c2Br)[N+](=O)[O-])Br)CO)O	41
+O=S(=O)(c1cc(C(C)C)c(Cl)cc1)Nc2cc(Cl)cnc2C(c3c4cc[nH]c4ncc3)=O	322
+CC(C)c1cc([N+]([O-])=O)c(cc1)C(=O)O	944
+CC(C)c1ccc(c(N)c1)C(=O)O	0
+CC(C)c1c(Oc2cnc(nc2N)N)cc(c(c1)OC)C(N)=S	581
+c1c(C)c(c(cc1)C)-c2nc(C)c(COc3c(ccc(c3)C(C)C)C)c(OC)n2	345
+CC(C)c1cc(C(C(O)=O)CCCCl)c(cc1OC)C	4
+CC(C)c1cc(c(I)cc1Oc2c(N)nc(nc2)NC(CCC(O)=O)=O)OC	4
+C[Si](C)(C)C#Cc1c(OC)cc(c(Oc2cnc(nc2N)N)c1)C(C)C	311
+CC(C)c1cc(c(cc1Oc2cnc(nc2N)N)-c3occc3)OC	4209
+CC(C)c1cc(OC)c(cc1Oc2cnc(nc2N)N)C#N	1942
+CC(C)c1cc(-c2csc3c2cc(cc3)C(C)=CC(O)=O)c(c(c1)C(C)C)OC	127
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C3=CCCCC3)C(C)C	616
+CC(C)c1cc(cc(C(C)C)c1CO)C(C)C	1146
+CC(C)c1cc(cc(C(C)C)c1C=COC)Br	1417
+CC(C)c1cc(cc(C(C)C)c1CP(OCc2ccccc2)(OCc3ccccc3)=O)C(C)C	7936
+CC(C)c1cc(cc(C(C)C)c1C=O)Br	1669
+CC(C)c1cc(cc(C(C)C)c1I)Br	158
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2cc(c(cc2)C(O)=O)O)C(c3c(Cc4ccccc4Br)oc(C)c3C)=O	1163
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2ccc(c(c2)O)C(O)=O)C(c3c(Cc4ccc(cc4)Br)oc(c3C)C)=O	1163
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2ccc(c(c2)O)C(O)=O)C(=O)c3c(c(oc3Cc4cc(Br)ccc4)C)C	1163
+CC(C)c1cc(cc(C(C)C)c1O)C=C(S(=O)(=O)NCCCc2ccccc2)C#N	2593
+CC(C)c1cc(cc(C(C)C)c1O)C(c2c(c(oc2Cc3cc(Br)ccc3)C)C)=O	5
+CC(C)c1cc(cc(C(C)C)c1OC)C(=O)c2c(c(oc2Cc3cc(Br)ccc3)C)C	2913
+CC(C)c1cc(cc(C(C)C)c1OC)C(c2c(Cc3ccccc3Br)oc(C)c2C)=O	2913
+CC(C)c1cc(cc(C(C)C)c1OC)C(c2c(Cc3ccc(cc3)Br)oc(c2C)C)=O	2913
+CC(C)c1cc(cc(C(C)C)c1O)C(c2c(Cc3ccc(cc3)Br)oc(c2C)C)=O	5
+CC(C)c1cc(cc(C(C)C)c1O)C(c2c(C)c(C)oc2Cc3ccccc3Br)=O	5
+CC(C)c1cc(Cl)cc(c1O)N	0
+CC(C)c1cc(Br)cc2c1[nH]cc2	1561
+c1cc(ccc1-c2nc3cc(C#N)cc(c3o2)C(C)C)C(O)=O	1
+CC(C)c1cc(ccc1)NC(c2cc(ccc2)N3CCc4c(C3)cncc4C(=O)NCC(OC)=O)=O	4370
+CC(C)c1cc(ccc1)NC(c2cc(ccc2)N3CCc4c(cncc4C3)C(O)=O)=O	1
+CC(C)c1cc(O)c(C=O)cc1	502
+c1ccccc1COc2cccc(c2)C(C)C	22
+CC(C)c1cccc(Oc2ncc(cn2)[N+]([O-])=O)c1	893
+CC(C)c1cc(cc(c1O)[N+]([O-])=O)Cl	31
+CC(C)c1cc(C(=O)O)ccc1OCc2ccccc2	500
+CC(C)c1cc(c(I)cc1Oc2cnc(nc2N)N)OC	694
+c1ccccc1CSc2c(C(C)C)cc([N+](=O)[O-])cn2	1272
+ClC(Cl)(Cl)COC(Nc1cc(nn1-c2cc3c(ncs3)cc2)C(C)C)=O	278
+c1cc(ccc1Nc2cc(C(C)C)nc(Cl)n2)C	73
+CC(C)c1cc(NN)nc2c(C)ccc(C)c12	2572
+CC(C)c1c(C(=O)C)cnc(Cl)c1	716
+CC(C)c1c(cc2OCOc2c1)CC#N	177
+c1cc(ccc1CO)NC(=O)c2ccc(Cc3cc(cc4c3oc(C(C)C)c4)Cl)o2	768
+CC(C)c1ccc2c(c1)ncnc2Cl	64
+CC(C)c1nn2c(c(ccc2OC)C=O)c1	200
+CC(C)c1cc2c(c(cc(c2)Cl)Cc3oc(C(O)=O)cc3)o1	1
+c1cc(ccc1)CN2c3cc(ccc3OCC2)Cc4c(C(C)C)ccc(Br)c4	452
+c1ccccc1COC(Nc2ccc(C(C)C)nc2O)=O	7937
+CC(C)c1cc([N+]([O-])=O)c(CCN)cc1	51
+CC(C)c1c(cc(Cl)cc1)N	0
+CC(C)c1cnc(F)c(I)c1	625
+CC(C)c1ccc(cn1)NC(c2cnn(c2)C=C)=O	4371
+CC(C)c1ncc(NCc2cn(nc2)C=C)cc1	4150
+CC(C)c1ccc(nn1)Cl	218
+CC(C)c1cc2c(cc1)c(ncn2)O	1116
+CC(C)c1nc(OC)c(cc1)-c2ncc(NC(C)COC)nc2Cl	7938
+Cc1cccc(C)c1-c2nc(c(c(C)n2)COc3cc(ccc3C)C(C)C)N4CCNC(C4)C	54
+CC(C)c1ccc(c(OCC(=O)NN)c1)CCNS(=O)(=O)c2c(O)ccc(C#N)c2	743
+CC(C)c1cc(c(C)cc1)OCc2c(nc(Cl)nc2OC)C	145
+CC(C)c1cc([N+](=O)[O-])c(cc1)C#N	180
+CC(C)c1ccc(cc1)-c2ccnc(c2)Cl	174
+c1cc(ccc1-c2cncc(-c3cccc(c3)C(=O)OCC)c2)C(C)C	89
+CC(C)c1ccc(cc1)-c2n(CCOC)c3c(cc(Cc4cccnc4SC)cc3OC)n2	2188
+c1cc(ccc1)-c2ccc(c3n(CCOC)c(nc23)-c4ccc(cc4)C(C)C)OC	3789
+c1cc(ccc1C2c3c(cc(C)c(c3OC2)C)C)C(C)C	20
+O=S(=O)(C)OC1CN(C1)Cc2ccc(cc2)C(C)C	7
+CC(C)c1ccc(cc1)Cc2c(C)cc(cc2OC)C	65
+c1cc(ccc1C(C)C)C#Cc2ccc(cc2)C(C)C(NCC)=O	129
+c1cc(ccc1C(C)C)N(c2ccc(cc2)C(C)C)C(=O)C	7939
+c1ccccc1COC(Nc2cc(cnc2OC)-c3ccnc(C(=O)Nc4cc(C)c(cc4)C(C)C)c3)=O	4372
+CC(C)c1ccc(nn1)N	1969
+CC(C)c1cccc(C(C)C)c1-n2c3ccccc3nc2-c4cc(ccc4)-c5ccc6c(c7c(cccc7o6)O)n5	5
+CC(C)c1cccc(C(C)C)c1-n2ccnc2-c3cccc(c3)-n4c5c(c6ccccc46)ccc(C#N)c5	7940
+CC(C)c1cccc(C(C)C)c1C(=O)O	595
+CC(C)c1cccc(C(C)C)c1CO	1146
+CC(C)c1cccc(C(C)C)c1N=Cc2cccc(-c3cc(OCCC=C)c(C)cc3C)n2	119
+CC(C)c1cccc(C(C)C)c1NC(C)(C)c2nc(-c3c(ccc4ccccc34)CNc5ccccc5)ccc2	245
+CC(C)c1cccc(C(C)C)c1NC(C)(C)c2nc(-c3c4ccccc4ccc3CNc5c(cc(cc5C)C)C)ccc2	245
+CC(C)c1cccc(C(C)C)c1NC(CN2C(N(C(C)(CCC)C2=O)c3ccc(cc3)C)=O)=O	4373
+CC(C)c1cccc(C(C)C)c1NC(=O)CN2C(=O)C3(CCN(CC3)C(=O)C)N(c4ccc(cc4)C)C2=O	4373
+CC(C)c1cc(cc(C(C)C)c1O)C=O	502
+CC(C)c1c(c(ccc1)C)C=O	146
+CC(C)c1c(Cl)ccc(N)c1	196
+CC(C)c1cccc(c1)Nc2c(C#N)cnc3c2cc(nc3)F	179
+CC(C)c1cccc(Oc2ncc(cn2)N)c1	193
+CC(C)c1cccc(C)c1Br	1078
+CC(C)c1c2[nH]ccc2ccc1	1561
+CC(C)c1c(cccc1)C=O	146
+CC(C)c1c(cccc1)NC(=O)C=NO	1048
+c1ccccc1-c2c(Nc3c(C(C)C)cccc3)c([N+]([O-])=O)ccc2	275
+CC(C)c1c2c(n(c1)C)c(C(NCc3c(cc(C)nc3O)C)=O)cc(c2)-c4cnc(C)cc4	56
+CC(C)c1cnc(F)c(c1)C#N	2189
+CC(C)c1n(c2ccccc2n1)CCCCCO	44
+c1cc(ccc1)Cn2c(CC)c(c(c2C(C)C)C(=O)NCc3cc(F)c(cc3)F)CCCC	56
+CC(C)c1c(C(=O)NCc2cc(F)c(cc2)F)c3c(cc(cc3)C(OCC)=O)n1Cc4ccccc4	56
+CC(C)c1c(c2c(cc(OC)cc2)n1Cc3ccccc3)C(NCc4cc(F)c(cc4)F)=O	56
+CC(C)c1c(c2ccc(OC)cc2n1Cc3ccccn3)C(NCc4cc(F)c(cc4)F)=O	56
+CC(C)c1c(C(=O)NCc2cc(F)c(cc2)F)c3c(cc(cc3)C(OCC)=O)n1Cc4occn4	56
+CC(C)c1n(-c2cc(cc(C(O)=O)c2)-c3ccc(cn3)Cl)nnn1	1
+CC(C)c1nnc2c(ccc(SC)n12)C(O)=O	1
+c1ccccc1OC(=O)NCc2ccccc2Sc3ccc4n(c(C(C)C)nn4)c3	101
+CC(C)c1n2c(c(ccc2C)C(O)=O)nn1	1
+CC(C)c1n2cc(ccc2nn1)Sc3c(cccc3)CN=[N+]=[N-]	925
+CC(C)c1nnc2ccc(cn12)OC3CCC(N)c4cc(ccc34)F	870
+CC(C)c1n2c(ccc(Sc3c(CN)cccc3)c2)nn1	18
+FC(F)(F)c1cc(ncc1)-n2cc(CCC(=O)OCC)c(n2)C(C)C	1706
+c1ccccc1COc2c(c(ccc2)Cl)-c3nc(C(C)C)c(OCC)o3	57
+CC(C)c1nc(Cl)c(C#N)c(-c2ccc(Cl)c(c2)Cl)n1	64
+CC(C)c1nc(-c2cccc(c2)N)c(-c3nc(ncc3)Cl)s1	2087
+CC(C)c1nc(c(-c2ccnc(n2)Cl)s1)-c3cc(ccc3)NS(=O)(=O)c4cc(ccc4)F	69
+O1CC(COC1(C)C)c2ccc(cc2)Oc3ncnc(N4CCC(CC4)c5nc(no5)C(C)C)c3[N+]([O-])=O	54
+CC(C)c1nc(SCC(N)=O)c(c(-c2cc(c(Cl)cc2)Cl)n1)C#N	3769
+CC(C)c1ncsc1Br	2190
+CC(C)c1nc(sn1)N2CCC(CC2)N3C(=O)C(Cc4ccc(cc4)S(=O)(=O)C)CC3	7941
+CC(C)c1nc(c(c(-c2ccccc2)c1)C#N)N3CC(C)N(CC3)C(=O)c4cocc4	1859
+CC(C)c1nc(O)c(c(NCC)c1)[N+](=O)[O-]	105
+CC(C)c1nc(c([N+](=O)[O-])c(c1)N)O	1724
+CC(C)c1nc(Cl)c([N+]([O-])=O)c(NCC)c1	137
+CC(C)c1nc(-c2ccc(c(Cl)c2)Cl)c3c(sc(c3N)C(=O)N)n1	3770
+CC(C)c1sc(-c2nc(ncc2)NC)c(-c3cc(ccc3)NS(=O)(=O)c4cc(ccc4)F)n1	96
+CC(C)c1nc(c(c(c1C=CCCC)-c2ccc(cc2)S(=O)(=O)C)CO)C(C)C	2146
+CC(C)c1nc(O)c([N+]([O-])=O)c(c1)Cl	120
+CC(C)c1nc(CNC)cs1	7942
+CC1(C)C(C)(C)OB(O1)c2cc(c(nc2)N3CCC(CC3)c4noc(C(C)C)n4)C#N	234
+COc1nc(nc(OC)c1)Oc2c(-c3oc(OCC)c(C(C)C)n3)c(ccc2)Cl	2914
+C1CN(CCC1COS(=O)(=O)C)c2nc(C(C)C)no2	7
+CC(C)c1nc2c(cccc2Cl)n1-c3cc(ccc3)O	5
+CC(C)c1nc2c(Cl)cccc2n1-c3cccc(OC)c3	2846
+O=S(=O)(C)c1cc(Oc2cccc(-n3c(nc4c3cccc4Cl)C(C)C)c2)cc(Cl)c1	415
+CC(C)c1n(ccn1)CC2CC3c4c5c([nH]cc5CC3N(C)C2)ccc4	2840
+c1(C)cccc(C)c1-c2nc3CCN(Cc3c(n2)O)c4n(nc(C(C)C)c4)C	104
+CC(C)c1cc2c(ccc(OC)n2n1)CO	7943
+c1cc(ccc1OC(=O)c2ccc(n3c2cc(n3)C(C)C)OC)[N+]([O-])=O	852
+CC(C)c1nn2c(c(ccc2OC)C(O)=O)c1	1725
+CC(C)c1nnc(-c2cc(N)ccc2)o1	0
+CC(C)c1n2c(c(C(=O)OC)ccc2SC)nn1	7944
+CC(C)c1nnc2ccc(nn12)C#Cc3c(cc(cc3)F)F	3872
+CC(C)c1n2c(ccc(OC3c4c(C(CC3)NC(Nc5cnn(c5)-c6ccc(cc6)C)=O)cccc4)c2)nn1	1962
+CC(C)c1oc(-c2c(N)ncc(c2)-c3ccc4[nH]ccc4c3)nn1	89
+c1(C)cccc(C)c1OCc2c(C(OC)=O)c(on2)C(C)C	20
+CC(C)c1c(c(no1)COc2c(Cl)cccc2Cl)COc3cc4c(n(cc4)Cc5cccc(c5)C(OC)=O)cc3	20
+c1(cccc(Cl)c1Cc2noc(C(C)C)c2CO)Cl	88
+CC1(C)OB(OC1(C)C)c2cnc(N3CCN(CC3)c4noc(C(C)C)n4)c(C#N)c2	234
+c1(Cl)cccc(Cl)c1CCc2c(CO)c(C(C)C)on2	88
+c1(C)cccc(C)c1OCc2c(CO)c(C(C)C)on2	88
+CC(C)c1onc(c1COc2ccc(cc2)-c3ccc4c(c3)ccc(C(O)=O)n4)CS(c5c(cccc5Cl)Cl)=O	6
+CC(C)c1sc2c(C(n3cc(C#N)ccc3=N2)=O)c1	1014
+CC(C)c1cc2c(s1)N=c3n(cc(cc3)-c4[nH]nnn4)C2=O	2915
+CC(C)n1ncc(Cl)c1-c2cc(N)ccc2OC	0
+CC(C)n1c(-c2c(OC)ccc([N+]([O-])=O)c2)c(Cl)cn1	697
+CC(C)n1c2c(cc1C(O)=O)cc(O)cc2	16
+c1cnccc1-c2cc(c3c(n2)n(nc3)C(C)C)C(=O)OCC	7945
+c1cc(ccc1)C(=O)Nc2n(c3c(cc4c(C(C)(C)C(=O)N4CCCCC)c3)n2)C(C)C	2879
+CC(C)n1c(Nc2ncc(Cl)c(c2)Nc3ccc(F)cc3C(NOC)=O)cc(C)n1	7946
+CC(C)n1c(Nc2ncc(Cl)c(c2)Nc3ccc(cc3C(=O)O)F)cc(C)n1	7947
+c1cc(ccc1F)-c2c(c(n(C(C)C)c2C(=O)OCc3ccccc3)C=O)-c4ccc(cc4)F	470
+CC(C)n1c2c(cc1-c3c(OC)nc(nc3)OC)C(N(C4CCN(CC4)C(=O)NC)C2c5ccc(cc5)Cl)=O	2041
+C1CNCCC1Nc2nc(-c3n(C(C)C)c(nc3)C)ccn2	62
+C1CC(CCC1NC(=O)CCN(C)C)Nc2nc(ccn2)-c3n(C(C)C)c(nc3)C	9
+CC(C)n1c(cnc1C)-c2nc(ncc2)Nc3ccc(cc3)N4CCN(CC4)C(CO)=O	948
+CC(C)n1c(cnc1C)-c2nc(Cl)ncc2	740
+CC(C)n1c2c(cn1)c(C(NCc3c(nc(C)cc3C)O)=O)cc(C4=CCN(CC4)C(=O)CCCN(C)C)n2	2699
+CC(C)n1c2c(c(C(c3ccnc(c3)NC(=O)Cc4ncc(C#N)cc4)=O)c1)cncn2	1684
+CC(C)n1c2cc(ccc2c(C(=O)Nc3nccs3)c1)O	5
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cc(ccc4)CO)nc12	14
+CC(C)n1cc(C)c2c(C(=O)O)cc(cc12)Br	1
+c1cc(ccc1O)CCNc2nc(Cl)cc3c2ncn3C(C)C	1679
+CC(C)n1ncc2cc(ccc12)OC(c3ccccc3)C(C)N	669
+CC(C)n1c2cc(C=O)ccc2nn1	760
+CC(C)n1ccc2ccc(cc12)CO	98
+C1CC(CCN1C(CCCN(C)C)=O)c2nc3n(C(C)C)ncc3c(C(=O)NCc4c(nc(C)cc4C)O)c2	1676
+CC(C)n1c2nc(cc(C(=O)NCc3c(nc(C)cc3C)O)c2cn1)Cl	14
+CC(C)n1nc(c2c1ccnc2)C(=O)c3cc(N)ncc3	1380
+CC(C)n1c2c(c(C(c3ccnc(c3)NC(=O)Cc4ncc(cc4)Br)=O)c1)cncn2	142
+CC(C)n1c2c(c(cc(Br)c2)C(OC)=O)c(c1)C	4374
+CC(C)n1c2c(c(c1)C(=O)Nc3nccs3)ccc(OC)c2	2916
+CC(C)n1c2c(c(cc(Br)c2)C(=O)NCc3c(O)nc(CO)cc3C)c(C)c1	104
+c1cc(ccc1S(=O)(=O)NC)-c2cc(c3c(C)nn(c3n2)C(C)C)C(=O)NCc4c(nc(C)cc4C)O	140
+CN(C)c1cc(C(=O)NCc2c(nc(C)cc2C)O)c3cnn(C(C)C)c3n1	43
+CC(C)n1ncc2c(cc(-c3ccc(cc3)F)nc12)C(NCc4c(nc(C)cc4C)O)=O	140
+CC(C)n1c2c(cn1)c(cc(Cl)n2)C(=O)O	137
+O=S(=O)(Nc1ccc(cc1)-c2cn(C(C)C)c3ncnc(N)c23)c4ccccc4	869
+CC(C)n1nc(c2c(N)ncnc12)-c3cc(c(cc3F)O)F	5
+CC(C)n1nc(-c2cc3c(cc2)N(CC3)C(=O)Cc4cc(F)ccc4F)c5c1ncnc5N	918
+CC(C)n1c2ncnc(N)c2c(-c3cc(F)c(OC)cc3F)n1	920
+CC(C)n1c2c(c(-c3cc(c(O)cc3)F)n1)c(N)ncn2	920
+c1cc(ccc1-c2cn(C(C)C)c3c2c(ncn3)Cl)OC	2123
+c1cc(ccc1-c2cn(C(C)C)c3c2c(ncn3)Cl)[N+](=O)[O-]	2123
+CC(C)n1cc(C(=O)c2ccnc(Br)c2)c3c1ncnc3	4233
+CC(C)n1cnc(-c2cc3nccc(Oc4c(cc(NC(=O)CC(Nc5c(OC)cccc5)=O)cc4)F)c3s2)c1	4375
+CC(C)n1cc(-c2cc3c(c(Oc4ccc(N)cc4F)ccn3)s2)nc1	0
+CC(C)n1c2c(cncn2)c(c1)C(c3ccnc(N)c3)=O	1380
+CC(C)n1c2cc(cc(c2c(C)c1)C(NCc3c(cc(nc3OC)CO)C)=O)Br	14
+CC(C)n1cc(N)cn1	209
+CC(C)n1cc(c2c1cc(cc2)C)C(=O)Nc3nccs3	2916
+CC(C)n1ccc2ccc(cc12)COC	76
+CC(C)n1cc(-c2cc3c(c(ccn3)Oc4ccc([N+]([O-])=O)cc4F)s2)nc1	680
+c1cc(ccc1)Nc2nc(ccn2)-c3cncn3C(C)C	7948
+CC(C)n1c(Nc2ncc(c(Nc3ccc(F)cc3C#N)c2)Cl)cc(C)n1	346
+CC(C)n1cc(c(I)n1)-c2nc(Cl)ncc2	740
+CC(C)n1nc(-c2c(F)ccc(NS(=O)(=O)CCC)c2F)c(-c3ccnc(n3)NCC(C)NC(=O)OC)c1	1016
+c1cc(ccc1)CNc2nc(ccn2)-c3c(-c4sc(Cl)cc4)nn(C(C)C)c3	435
+CC(C)n1nc(c(c1)-c2ccnc(S(=O)(=O)C)n2)-c3sc(Cl)cc3	737
+CN(C)C=CC(=O)c1c(nn(c1)C(C)C)I	277
+CC(C)n1c2nc(Cl)cc(C(=O)NCc3c(nc(C)cc3C)O)c2c(n1)C	14
+CC(C)n1nc(C(=O)NN)c2ccccc12	1726
+CC(C)n1c(-c2c(ccc(NC(=O)Nc3ccc(F)c(F)c3)c2)OC)c(Cl)cn1	124
+CC(C)n1c2c(c(cc(-c3cccc(CO)c3)n2)C(=O)O)cn1	6
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cccc(c4)CN(C)CCCN(C)C)nc12	131
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cccc(CN(C)C)c4)nc12	131
+CC(C)n1ncc2c(N3CC4CCC(C3)O4)nc(-c5ccc(cc5)N)nc12	0
+c1cc(ccc1[N+](=O)[O-])-c2nc(Cl)c3c(n2)n(C(C)C)nc3	1203
+CC(C)(C)OC(N1CC=C(c2cc(C(NCc3c(nc(C)cc3C)O)=O)c4c(n(nc4)C(C)C)n2)CC1)=O	4376
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(nc12)-c4ccc(cc4)N5CCN(CC5)C	245
+CC(C)n1ncc2c(cc(-c3ccc(cc3)CO)nc12)C(NCc4c(nc(C)cc4C)O)=O	119
+CC(C)n1ncc2c1nc(-c3cnc(nc3)N)cc2C(NCc4c(nc(C)cc4C)O)=O	7949
+CC(C)n1ncc2c1nc(Br)cc2C(=O)NCc3c(nc(C)cc3C)O	7950
+CC(C)n1c2c(c(cc(n2)C(=O)C)C(=O)NCc3c(nc(C)cc3C)O)cn1	1867
+CC(C)n1ncc2cc(ccc12)OC(c3ccccc3)C(NS(=O)(=O)C)C	111
+CC1(C)C(C)(C)OB(O1)c2ccc3-c4nc(-c5n(ncn5)C(C)C)cn4CCOc3c2	17
+CC(C)n1ncnc1-c2sc3c(-c4c(cc(cc4)C5CN(C5)C(C)(C)C(=O)N)OCC3)n2	527
+CC(C)n1c2c(ccc(C(=O)N(OC)C)c2)nn1	280
+C(O)CC(CC(=O)OC)C	21
+Clc1ccc2c(n(C(=O)CC(C)CC(OC)=O)c(CCCCCC)c2)c1	2917
+C1CN(CCC1Oc2c(C(CC)C)cccc2)c3ncc(cn3)Br	419
+CC(CC=C(CC)C)C(CC)=CCOc1cc2c(cc1)CCCO2	2888
+CCC(C(C)CC1OC1(CC)C)=CCOc2cc3OCCCc3cc2	7951
+c1(ccc(C)n1-c2c(ccc(Cl)c2)[N+](=O)[O-])C	1727
+c1(C)ccc(C)n1C(C)CO	7952
+Cc1ccc(C)n1-c2c(cc(F)cc2)Cl	1727
+c1(C)ccc(C)n1-c2cc(F)cc(F)c2	1727
+c1cc(C)n(c1C)-c2ccc(cc2F)I	1727
+c1cc(C)n(c1C)-c2ccn(-c3ccccc3)n2	7953
+c1cc(C)n(c1C)-c2ccccc2	1727
+c1cc(ccc1Cl)C(=O)C(c2ccc(cc2)Cl)NC(=O)CCCCCC(C#N)C	612
+C(CCc1cc2c(cccc2)cc1)C(CC(=O)C(OCC)=O)=O	1135
+C(NC(C)=O)Cc1cc2c(OCO2)cc1CC#N	177
+c12CCN=C(c1cccc2Br)C	1120
+n1cccc(-n2cc(c(Cl)n2)NCC)c1	15
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c4c(ncc3C#N)cc(c(NC(=O)C)c4)OCC	179
+c1([N+]([O-])=O)c(c2c(cc1)CCCC2)N	106
+C1Cc2c(CC1)c(NC(=O)C)cc(F)c2C	165
+Fc1c(F)c2c(c(NC(=O)C)c1)CCCC2	165
+CC(=O)Nc1c2OCOc2c(cc1Cl)C(OC)=O	196
+c1(cc2ccc(c(OC)c2c3cc(C)ccc13)OC)NCC	15
+Nc1c(c(Cl)c(cc1)Br)C	106
+n1[nH]c(c(c1NC(C)=O)I)-c2cc(F)ccc2	1419
+c1(C)cc(cc(C)c1S(=O)(=O)N)Nc2ncc(Br)c(n2)OC(C(C)O)C	55
+c1c2c(ccc1)C(=O)N(C2=O)C(c3cnc4ccccc4c3Cl)C	4377
+CC(O)c1c(c(Sc2c(F)cccc2)ccc1)OC	297
+C(C)(Cl)c1cccc(Sc2c(F)cccc2)c1OC	525
+c1c(cc(c(OC)c1C(C)=O)OC)Cl	155
+c1cc(ccc1-c2sc(F)cc2NC(OC(c3ccccc3C)C)=O)-c4ccc(cc4)C5(CC5)C(=O)OCC	2578
+c1cc(ccc1-c2c(c(no2)C)NC(=O)OC(C)c3c(cccc3)Cl)Br	2918
+c1cc(ccc1-c2nocc2NC(=O)OC(c3c(cccc3)Cl)C)CCCl	2918
+C1(C2(C)C(C3C(=O)C=C4C(C)(CCC(C4)OC(=O)C)C3CC2)CC1)OC(C)=O	7954
+CC1(C)OB(OC1(C)C)c2cc3c(c[nH]c3nc2)C(C)c4c(Cl)ccc(F)c4Cl	234
+Clc1c(C(COC)C)c(F)ccc1	21
+c1(c(NC(=O)OC(c2ccccc2F)C)c(-c3cc(C)c(cc3)Br)on1)C	2918
+NNC(=O)C(C)c1c(cc2ncccc2c1F)F	561
+c12nc(c(cc1cc(Cl)c(OC)c2)C(C)=O)OC	716
+CC(=O)c1cc(C(=O)OC)cc(c1)N	0
+CC(C(=O)O)c1cc(Cl)c(cc1)C#N	4
+O=S(=O)(NCCC(=O)NC(c1cncn1C)(C)c2ccc(c(F)c2)C#N)c3cc(OC)ccc3	9
+c1(C(=O)CBr)cccc(OCc2cc(c(cc2)Cl)Cl)c1	380
+c1c(C(=O)C)c(O)c(c(c1Cl)OCCOCCOc2c(c(ccc2C(C)=O)OCC(=O)OCC)CCC)CCC	262
+CC(c1cc(C(=O)OC)cc(c1)[N+]([O-])=O)=O	128
+FC(F)(F)c1cc2c(CCN(C2)C(C3(CN(CC3)C(c4ccc5c(N(C)C(=O)N5C)c4)C)COC)=O)nc1	3617
+c1cc(ccc1)COc2c(ccc(c2)CC)Oc3ccc(cc3F)C(=O)C	46
+CC(c1ccc(c(F)c1)-c2cc(ccc2)O)C(OC)=O	134
+CC(c1ccc(I)c(F)c1)C(OC)=O	158
+c1c(C(C(O)=O)C)cc(c(c1)OC)OC	4
+FC(F)(F)C(c1ccc2c(N(C)C(=O)CO2)c1)(C(C)c3ccc(OC)cc3Cl)O	1379
+CC(c1ccc(N)c(F)c1)C(OC)=O	0
+c1ccccc1CCCNC(=O)Oc2cccc(c2)-c3ccc(cc3F)C(C(=O)OC)C	1890
+C(C)(c1cccc(C#N)c1)O	74
+CN(C)C=CC(=O)c1cccc(C#N)c1	277
+c1cc(ccc1)N(c2ccccc2)c3cc4c(n(c5c4cccc5)C(C)=O)cc3	7955
+c1ccc2c(c3ccccc3n2-c4cccc(-c5cc6c(n(c7ccccc67)C(C)=O)cc5)c4)c1	99
+c1cc(ccc1Oc2cc3c(C(C)(C(OC)=O)CCO3)cc2C#N)C(=O)NCCc4ccc(cc4)Cl	46
+c1ccc2CC(Cc2c1)(C(OC)=O)C	4378
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(-c3ccc(cc3)I)ccc2CC	158
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2c(ccc(c2)-c3ccc(cc3)C#C)CC	75
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2c(ccc(-c3ccc(cc3)C#C[Si](C)(C)C)c2)CC	311
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(ccc2C3CC3)Oc4ccc(Cl)cc4Cl	304
+c1(I)cc(-c2c3c(n(cn3)CC)nnc2)ccc1F	7956
+c1cc(ccc1Cc2nc(c(Cl)c(c2F)N)C=O)F	4254
+C1(=O)c2ccccc2C(=O)N1CCCOc3cc4c(N(C(=O)C(C)(C)C(=O)N4C)CC)cc3	8
+CC1(C)Nc2c(N(C)C1=O)c(c(cc2)-c3c(ccc(Cl)c3)O)CO	7957
+CC1(C)c2ccc(C=O)cc2N(C)C1=O	39
+CC1(C)C(N(c2cc3nc(NC(c4ccccc4)=O)[nH]c3cc12)CC)=O	2879
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4c5c(ccc(C(=O)N)c5)n[nH]4)[nH]3)CC	169
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4[nH]nc5ccc(C(=O)N=CN(C)C)cc45)[nH]3)CC	2098
+CC1(C)CC2CCC(C(=O)NCc3c(Cl)nccn3)CN2C1=O	9
+CC1(C)C(=O)N2CC(C(=O)O)CCC2C1	4
+CC1(C)C(=O)N2CC(c3nc(Br)c4c(N)nccn34)CCC2C1	522
+CC1(C)NCc2cc(C=CC(N(Cc3c(c(Cl)ccc3)OCCC)C)=O)cnc2NC1=O	2385
+CC1(C)C(N(c2c(ccc(Br)c2CO)N1)C)=O	239
+O=S(=O)(OC(C1C(C)(C)C1C(OCC)=O)C(Cl)Cl)c2ccc(cc2)C	36
+c1cc(ccc1S(=O)(=O)NC2c3cc(ccc3OC(C)(C)C2O)CC(NC4CCCc5ccccc45)=O)CC	71
+CC1(C)C(Nc2c(C(=O)N)cnn3cc(Br)cc23)CCC1(C(=O)OC)C	719
+CC1(C)c2c(cc(c(c2)N)N)C(C)(C)C1(C)C	0
+CC1(C)C(C)(C)C1C(c2c3cc(c(OC)cc3[nH]c2)OCc4ccccc4)=O	432
+CC1(C)C(C)(C)C1C(=O)Cl	130
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(nn2)-c3ccc(cc3OC)B4OC(C)(C)C(C)(C)O4	425
+CC1(C)C(C)(C)OB(O1)c2cc3CC(C)(C)Oc3cc2	17
+OB(O)c1c(c(ncc1)N2C(=O)c3cc4CC(C)(C)Cc4n3CC2)COC(C)=O	7958
+CC1(C)OB(OC1(C)C)c2c(F)cc3OC(C)(C)CNc3c2	17
+CC1(C)OB(OC1(C)C)c2cc3c(C(NCC3(C)C)=O)cc2	17
+CC1(C)C(C)(C)OB(O1)c2cc(-c3cccc4c5c(cccc5)sc34)cc(c2)-c6ccc7-c8ccccc8C(C)(C)c7c6	632
+CC1(C)C(C)(C)OB(O1)C=2C=C(Nc3cc(on3)CC)C(=O)N(C)C=2	1371
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2F)NC(Nc3ccc(cc3)C(=O)N(C)C)=O	17
+CC1(C)OB(OC1(C)C)c2cccc(N3CCC(CC3)C(N(C)C)=O)c2	17
+CC1(C)OB(OC1(C)C)c2cc(N3CC(N(C)C)CC3)ccc2	17
+CC1(C)C(C)(C)OB(O1)c2cc(F)cc(NCCN(C)C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cnc(N)c(S(=O)(=O)N(C)C)c2	234
+CC1(C)OB(OC1(C)C)c2c(C=O)cc(Oc3nc(N(C)C)c(C#N)cc3)cc2	17
+CC1(C)OB(OC1(C)C)C=2C=C(C(=O)N(C)C=2)Nc3nn4CCN(CCOC)Cc4c3	1371
+OB(O)C=1C=C(Nc2ccc(cn2)C(=O)N3CCOCC3C)C(=O)N(C)C=1	3628
+CC1(C)OB(OC1(C)C)C=2c3cc(-c4cnn(c4)C)ccc3C(N(C)C=2)=O	4379
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(OC)(OC)=O	632
+CC1(C)C(C)(C)OB(O1)c2cc(OC)c(c(c2)C=O)OCOCC[Si](C)(C)C	17
+CC1(C)C(C)(C)OB(O1)c2cc3ncn(c3cc2)COCC[Si](C)(C)C	1623
+CC1(C)OB(OC1(C)C)c2ccc3c(c(nn3COCC[Si](C)(C)C)C=O)c2	17
+CC1(C)OB(OC1(C)C)c2ccc(c(c2)Nc3scc(n3)-c4sc(C)nc4C)OC	17
+CC1(C)C(C)(C)OB(O1)c2c(cc(cc2C)C=CC#N)C	17
+CC1(C)C(C)(C)OB(O1)c2c3c(ccc2)c(c[nH]3)CCCOc4cc(C)c(c(C)c4)Cl	2919
+CC1(C)C(C)(C)OB(O1)c2cc3NCCOc3cc2C	17
+CC1(C)C(C)(C)OB(O1)c2c(ccc(-c3c(nccc3)C)c2)OC	17
+CC1(C)C(C)(C)OB(O1)c2cc(Cl)c(C)nc2	234
+CC1(C)C(C)(C)OB(O1)c2cc(Cl)c(O)c(F)c2	17
+CC1(C)OB(OC1(C)C)c2c(Cl)cc3c(CCC(=O)N3C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3cccc(Cl)c3[nH]2	4380
+CC1(C)OB(OC1(C)C)c2cc(Cl)c3N(C(CCc3c2)=O)C	17
+CC1(C)OB(OC1(C)C)c2cc(c(N)cc2)C#N	632
+CC1(C)OB(OC1(C)C)c2cc3c(nc(c4ccnc(O)c34)Nc5c(Cl)cc(cc5Cl)-c6ccn[nH]6)cc2	17
+CC1(C)OB(OC1(C)C)c2cc(Cl)cc(c2)O	17
+CC1(C)OB(OC1(C)C)c2cc(ccc2)N3C(=O)C=CC=C3	632
+CC1(C)C(C)(C)OB(O1)c2ccc(c3c2[nH]cc3)Cl	2919
+CC1(C)C(C)(C)OB(O1)c2ccc3c(ccc(Cl)c3)c2	17
+CC1(C)C(C)(C)OB(O1)C2=CCC3(CCCC3)CC2	4381
+CC1(C)C(C)(C)OB(O1)C=2CCC3(OCCO3)CC=2	4381
+CC1(C)C(C)(C)OB(O1)c2c(C)c(CC(=O)OC)cc3c2cc(cc3)Cl	425
+CC1(C)OB(OC1(C)C)c2c(ccc(c2C=O)F)OCC	425
+CC1(C)C(C)(C)OB(O1)c2c(c(ccc2C=O)F)OCCCOCc3ccccc3	425
+CC1(C)C(C)(C)OB(O1)c2c(OC)cc(cc2)-c3oc4c(n3)cccc4	425
+CC1(C)C(C)(C)OB(O1)c2c(cc(CC(OC)=O)cc2)F	425
+CC1(C)OB(OC1(C)C)c2cc(ccc2[N+]([O-])=O)F	425
+CC1(C)C(C)(C)OB(O1)c2c(c(cc3c2cc(cc3)F)CC(=O)OC)C	425
+CC1(C)OB(OC1(C)C)c2c(C=O)ccc(c2)OC3CCCC3	425
+CC1(C)C(C)(C)OB(O1)c2cc(cc(Cl)c2C=O)OC3OCCCC3	425
+CC1(C)C(C)(C)OB(O1)c2cc(OC(C3CC(=O)NC3)C)c4c(ncs4)c2	4382
+CC1(C)C(C)(C)OB(O1)c2cccc(c2)-c3c(C#N)scc3	425
+CC1(C)OB(OC1(C)C)c2cccc(-n3c4c(nc3)cc(cn4)-c5cocc5)c2	425
+CC1(C)OB(OC1(C)C)c2cc(ccc2C=O)-c3cc(C#N)ccc3	425
+CC1(C)C(C)(C)OB(O1)c2ccc3cccnc3c2	4382
+CC1(C)C(C)(C)OB(O1)c2ccc(Cl)c(NC(c3c(Cl)cc(cc3)Cl)C)c2	425
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(OC)=O	425
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(OCC)=O	425
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)C(CC)(CC)c3ccc(C=CC(CC)(CC)O)c(C)c3	425
+CC1(C)C(C)(C)OB(O1)c2cnc(OCC)c(C(F)(F)F)c2	234
+CC1(C)C(C)(C)OB(O1)c2cc(c(C3CC3)nc2)OC(F)(F)C	7959
+CC1(C)C(C)(C)OB(O1)c2ccc(OC(F)F)c(F)c2	17
+CC1(C)OB(OC1(C)C)c2cc(OC(F)F)c(cc2)Cl	17
+CC1(C)OB(OC1(C)C)C2=CN(C)C(C=3CCCCC2=3)=O	7960
+CC1(C)C(C)(C)OB(O1)C2=C(N3C(=O)NN=C3C=C2)C	7961
+CC1(C)OB(OC1(C)C)c2cc(C)c(N)c(c2)[N+](=O)[O-]	17
+CC1(C)C(C)(C)OB(O1)c2ccc(N)c(OC)c2F	17
+CC1(C)C(C)(C)OB(O1)c2c(N)ccc(C)c2	17
+CC1(C)C(C)(C)OB(O1)c2c(ccc(N)c2)Cl	372
+CC1(C)C(C)(C)OB(O1)c2cc(ncc2Cl)N	1809
+CC1(C)OB(OC1(C)C)c2cc(ccc2Cl)C(N(c3ccccc3CCCC(=O)OC)C)=O	17
+CC1(C)C(C)(C)OB(O1)c2cc(c(C(OC)=O)s2)OC(c3ccccc3Cl)C	7962
+CC1(C)C(C)(C)OB(O1)c2cc(C)cnc2OC	234
+CC1(C)C(C)(C)OB(O1)c2cc(F)c(OC)nc2	7963
+CC1(C)C(C)(C)OB(O1)c2cc(c(N)nc2)OC	234
+CC1(C)C(C)(C)OB(O1)c2cc(c(OCC(OCC)=O)cc2)OCC	17
+CC1(C)OB(OC1(C)C)c2cncc(C3COC(OC3)(C)C)c2	234
+CC1(C)C(C)(C)OB(O1)c2cc(c3c(CCCO3)c2C)Cl	17
+CC1(C)C(C)(C)OB(O1)c2c(C)c(ccc2)N3C(=O)c4c(c(Cl)ccc4)N(C3=O)C	17
+CC1(C)C(C)(C)OB(O1)c2c(c(ccc2)N3C(=O)c4ccccc4N(C)C3=O)C	17
+CC1(C)C(C)(C)OB(O1)c2cccc(N3C(c4c(NC3=O)c(Cl)ccc4)=O)c2C	17
+CC1(C)C(C)(C)OB(O1)c2c(C)c(N3C(=O)c4c(N(C)C3=O)c(ccc4)F)ccc2	17
+CC1(C)C(C)(C)OB(O1)c2c(cc(Oc3ccc(c(c3)C(=O)OC)C#N)cc2)C=O	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(c(-c4c(F)cc(cc4)F)oc3cc2N(S(=O)(=O)C)C)C(=O)NC	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2N(S(=O)(=O)C)C)oc(C4=CCCC4)c3C(=O)NC	17
+CC1(C)C(C)(C)OB(O1)c2c(N(S(=O)(=O)C)C)cc3oc(c(C(=O)NC)c3c2)C45C(CCC4)C5	17
+CC1(C)C(C)(C)OB(O1)c2cc(F)cc(c2)CNS(=O)(=O)C	17
+CC1(C)C(C)(C)OB(O1)c2ccc(OC)c(NS(=O)(=O)C)c2	17
+CC1(C)C(C)(C)OB(O1)c2ccc(S(=O)(=O)C)cc2F	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)C3CCOCC3	17
+CC1(C)OB(OC1(C)C)c2c(cc(cc2)S(=O)(=O)CC)OC	17
+CC1(C)OB(OC1(C)C)C=2C=CC(=O)N(CCS(=O)(=O)C)C=2	7964
+CC1(C)C(C)(C)OB(O1)c2ccc(CN(C)S(=O)(=O)C)cc2Cl	17
+CC1(C)OB(OC1(C)C)c2cc(N(S(=O)(=O)C)C)ccc2	17
+CC1(C)C(C)(C)OB(O1)c2cc3CC(NS(=O)(=O)C(C)C)Cc3cc2	372
+CC1(C)C(C)(C)OB(O1)c2ccc(OCCN(C)C)c(c2)NS(=O)(=O)C	17
+CC1(C)OB(OC1(C)C)c2cc(cc(OS(=O)(=O)C)c2)OC	632
+CC1(C)OB(OC1(C)C)c2cc(c(S(=O)(=O)C)cc2)F	17
+CC1(C)OB(OC1(C)C)c2cc(c(F)cc2S(=O)(=O)C)F	17
+CC1(C)OB(OC1(C)C)c2cc(cnc2)S(=O)(=O)Nc3c(cc(F)cc3)F	234
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2C)S(=O)(=O)NC	17
+CC1(C)OB(OC1(C)C)c2cncc(NS(=O)(=O)c3c(Cl)cc(cc3)Br)c2	234
+CC1(C)OB(OC1(C)C)c2cncc(NS(=O)(=O)c3ccccc3)c2	234
+CC1(C)OB(OC1(C)C)c2ccc(C3=CCS(=O)(=O)CC3)cc2C	17
+CC1(C)OB(OC1(C)C)c2cc3CS(=O)(=O)N(c3cc2)C	17
+CC1(C)OB(OC1(C)C)c2cc3c([nH]nc3F)cc2	17
+CC1(C)OB(OC1(C)C)c2c3ccccc3c(C(=O)O)cc2	17
+CC1(C)C(C)(C)OB(O1)c2cnc(c(c2)C)OC	234
+CC1(C)OB(OC1(C)C)c2cc(c(Br)cc2OC)C	4383
+CC1(C)OB(OC1(C)C)c2cc(C(N)=O)ccc2C	17
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(c(c2)C)C3=C(OC)CCC3=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3nc(C)cc(C)n3	632
+CC1(C)OB(OC1(C)C)c2c(F)cc3OCCCc3c2	17
+CC1(C)OB(OC1(C)C)c2cc(F)c(c(c2)F)-c3c(C(=O)c4ccc(cc4Cl)F)c(nn3C)C	17
+CC1(C)OB(OC1(C)C)c2cc(ccc2F)CCC(OC)=O	372
+CC1(C)C(C)(C)OB(O1)c2ccc(N3CC(OC3=O)CNC(=O)OC)cc2F	372
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2F)N3C(=O)OC(C3)Cn4ccnn4	372
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2F)[N+]([O-])=O	17
+CC1(C)OB(OC1(C)C)c2c(c(ccc2)[N+](=O)[O-])C	17
+CC1(C)OB(OC1(C)C)c2cccc(c2F)[N+](=O)[O-]	17
+CC1(C)C(C)(C)OB(O1)c2cc(F)c(c(c2)Cl)C=3C(CCC=3OC)=O	4383
+CC1(C)OB(OC1(C)C)c2cc(C)c(N)cc2	17
+CC1(C)C(C)(C)OB(O1)c2cccc(N3C(N(C)c4c(ccc(c4)OC)C3=O)=O)c2C	17
+CC1(C)C(C)(C)OB(O1)c2cccc(N3C(c4ccc(F)cc4N(C)C3=O)=O)c2C	17
+CC1(C)OB(OC1(C)C)c2cccc(NC(=O)Cc3c(cccn3)Cl)c2C	17
+CC1(C)C(C)(C)OB(O1)c2c(F)c(c(F)cc2)-c3c(C#N)cc(cc3)F	17
+CC1(C)OB(OC1(C)C)c2cc(c(O)c(Cl)c2C)C(=O)OC	17
+CC1(C)C(C)(C)OB(O1)c2cc3c([nH]2)c(OCC)ccc3	4380
+CC1(C)C(C)(C)OB(O1)c2ccc3c(CC(=O)N3C)c2Cl	17
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2F)C(OC)=O)OC	17
+CC1(C)C(C)(C)OB(O1)c2c(ccc(C=O)c2)C	17
+CC1(C)C(C)(C)OB(O1)c2c(Cl)c(cc(OC)c2)Cl	17
+CC1(C)C(C)(C)OB(O1)c2ccc(C3OCC(C(Br)C3)CC)cc2F	17
+CC1(C)OB(OC1(C)C)c2c(F)cc3-n4c(nnc4C)CCc3c2	17
+CC1(C)C(C)(C)OB(O1)c2c(F)cc3c(OC(N3C)=O)c2	17
+CC1(C)OB(OC1(C)C)c2c(F)cc3c(c2)CCC(=O)N3C	17
+CC1(C)C(C)(C)OB(O1)c2c(cc3c(cnn3C4OCCCC4)c2)F	17
+CC1(C)OB(OC1(C)C)c2cc(c[nH]2)C(OC)=O	7965
+CC1(C)OB(OC1(C)C)c2cc(-c3ccc(cc3C)C(OC)=O)ccc2CC	372
+CC1(C)OB(OC1(C)C)c2c(cc(-n3cccn3)cc2)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(CC)c3[nH]ccc23	1623
+CC1(C)OB(OC1(C)C)c2c(OC)cc(-n3nc(cc3)N)cc2	17
+CC1(C)OB(OC1(C)C)c2ccc(O)cc2OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(cccc3F)F	372
+CC1(C)OB(OC1(C)C)c2cc(OCCCCl)ccc2	17
+CC1(C)OB(OC1(C)C)c2c(nccc2C)OC	234
+CC1(C)OB(OC1(C)C)C=2C=C(Nc3ncc(C)s3)C(N(C=2)C)=O	1371
+CC1(C)OB(OC1(C)C)c2cc(F)c3c(CCC(=O)N3C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3cc([nH]c3nc2)-c4c(C)cncc4	234
+CC1(C)OB(OC1(C)C)c2ccc3ccn(C)c3c2F	1623
+CC1(C)C(C)(C)OB(O1)c2ccc(c(c2)Cc3c4c(ccc3)cccc4)OC	17
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2F)C(OC)=O	17
+CC1(C)OB(OC1(C)C)c2ccc3c(CC(N3C)C(OCC)=O)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)N(C(=O)C3)C	17
+CC1(C)OB(OC1(C)C)c2ccc3c(CCC(=O)N3C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(C(=O)NCC3)cc2	17
+CC1(C)C(C)(C)OB(O1)c2cc3CN(C(=O)c3cc2)C	17
+CC1(C)C(C)(C)OB(O1)c2ccc3c(CN(CC(C)O)C3=O)c2	17
+CC1(C)OB(OC1(C)C)c2cc3c(N(C)CCC3)cc2	17
+CC1(C)OB(OC1(C)C)c2cc3CCc4nnc(C)n4-c3cc2	17
+CC1(C)OB(OC1(C)C)c2cc3c(N(C(=O)Cc4cc(C)ccc4)CC3)cc2	17
+CC1(C)OB(OC1(C)C)c2cc3CCN(c3cc2)C(=O)Cc4cc(F)ccc4F	17
+CC1(C)C(C)(C)OB(O1)c2ccc3cc(C#N)ccc3c2	17
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(c(c2)C)N	17
+CC1(C)C(C)(C)OB(O1)c2ccc(CC(=O)OC)cc2C	17
+CC1(C)OB(OC1(C)C)c2cc(Cl)c(c(Cl)c2)O	17
+CC1(C)OB(OC1(C)C)c2cc(Cl)c(c(c2)Cl)C	372
+CC1(C)C(C)(C)OB(O1)c2c(c(N3C(=O)c4cc(cc(F)c4NC3=O)F)ccc2)C	17
+CC1(C)C(C)(C)OB(O1)c2c(OC)ccc(-c3cnc(cc3C)C(OC)=O)c2	372
+CC1(C)C(C)(C)OB(O1)c2cc(N)c(F)cc2C	17
+CC1(C)OB(OC1(C)C)c2cnc(c(Cc3ncccc3)c2)N	234
+CC1(C)C(C)(C)OB(O1)c2cc(F)cc(C#N)c2	17
+CC1(C)C(C)(C)OB(O1)c2ccc(c(C)c2)C#N	17
+CC1(C)C(C)(C)OB(O1)c2ccc(C(N)=O)c(c2)C	17
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(C(NC)=O)cc2	17
+CC1(C)OB(OC1(C)C)c2ccc(c(F)c2)C#N	17
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)C=O)[N+](=O)[O-]	17
+CC1(C)OB(OC1(C)C)c2ccc(Cl)c(c2)CNC(OC)=O	17
+CC1(C)C(C)(C)OB(O1)c2ccc(c(F)c2)C=O	17
+CC1(C)OB(OC1(C)C)c2ccc(c(OC)c2)CC(O)=O	17
+CC1(C)OB(OC1(C)C)c2cc(O)cc(C(=O)OC)c2	17
+CC1(C)OB(OC1(C)C)c2cc(C(=O)OC)cc([N+](=O)[O-])c2	372
+CC1(C)OB(OC1(C)C)c2cc(nc(C)c2)C(=O)Nc3scc(C)n3	1809
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)OCC(=O)N3C	17
+CC1(C)OB(OC1(C)C)c2cc3c(cc2)N(CCN3)C	17
+CC1(C)C(C)(C)OB(O1)c2ccc3c(N(C(O3)=O)C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)OC(=O)N3CCC	17
+CC1(C)OB(OC1(C)C)c2cc3C=CN(C(c3cc2)=O)C	17
+CC1(C)C(C)(C)OB(O1)c2cc3NCCCc3cc2	17
+CC1(C)OB(OC1(C)C)c2cc3C(CC(C)N(c3cc2)C(=O)C)Nc4ncc(C#N)cc4	17
+CC1(C)C(C)(C)OB(O1)c2ccc3nc(N)ncc3c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)c4c(nc3)[nH]nc4	17
+CC1(C)OB(OC1(C)C)c2cc3c(cc2)cc(C(=O)OCC)[nH]3	1623
+CC1(C)OB(OC1(C)C)c2ccc3c(c2)cc(C(=O)OCC)[nH]3	17
+CC1(C)C(C)(C)OB(O1)c2ccc3nc(NC)sc3c2	7966
+CC1(C)OB(OC1(C)C)c2cc(OCC(CN3CCc4c(C3)cccc4)O)ccc2	17
+CC1(C)OB(OC1(C)C)c2cc(c(nc2)N)-c3oc4c(cccc4)n3	234
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c4ccccc4n3-c5cc6c(oc7ccccc67)cc5)c2	17
+CC1(C)OB(OC1(C)C)c2c(cc(Oc3c4c(ccn3)occ4)cc2)C	17
+CC1(C)OB(OC1(C)C)c2cnc(cc2)-c3nn(nn3)C	234
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2Cl)CN(C)C(=O)C	17
+CC1(C)OB(OC1(C)C)c2cc(CC#N)ccc2OC	17
+CC1(C)OB(OC1(C)C)c2ccc(OCCCC(=O)OCC)c(OC)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc(c(OCc3c(cccc3N4N=NN(C)C4=O)OC)cc2)C	17
+CC1(C)C(C)(C)OB(O1)c2c(C)c(C=O)c(cc2)OC	17
+CC1(C)OB(OC1(C)C)c2c(ccc(CC(OC)=O)c2)OC	17
+CC1(C)OB(OC1(C)C)c2c(ccc(CC(=O)OCC)c2)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3CCC(c4ccccc4)(CC3=O)CC(C)(C)O	17
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c2)OC(=CC3)c4ccccc4	17
+c1cc(ccc1)CN(Cc2ccccc2)C3Cc4c(cccc4B5OC(C)(C)C(C)(C)O5)OC3	425
+CC1(C)C(C)(C)OB(O1)c2cc(OCc3ccccc3)cc(Nc4cnccc4)c2	17
+CC1(C)OB(OC1(C)C)c2cc(ccc2C=O)Oc3cccc(c3)OCc4ccccc4	17
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)OC)Cc3ccccc3	17
+CC1(C)OB(OC1(C)C)c2ccc(Oc3ccccc3)cc2C	17
+CC1(C)OB(OC1(C)C)c2c3c(n(S(=O)(=O)c4ccccc4)c2)ncc(c3)-c5cn(C)nc5	7967
+CC1(C)C(C)(C)OB(O1)c2cn(nc2-c3ccc(cc3)[N+](=O)[O-])CC	2611
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)-c3c(NC(=O)OC(C)c4c(cccc4)Cl)c(no3)C	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(C(=O)NC)c(-c4ccc(cc4)C#N)oc3cc2N(S(=O)(=O)C)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3nc(C4N(C(C(C(C)C)Nc5sccn5)=O)CCC4)[nH]c3	17
+CC1(C)C(C)(C)OB(O1)c2ccc3CCC(Oc3c2)c4ccc(cc4)-c5cc(ccc5F)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)-n4cccn4	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)C4(CC4)CC(OCC)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3[nH]c(nc3)C4CC(C)CN4C(=O)C(NC(=O)OC)C(C)C	17
+c1cc(ccc1-c2[nH]c3c(cc(S(=O)(=O)C)cc3)n2)B(O)O	2920
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3nnc(NC)o3	17
+c1cc(ccc1-c2oc3cc(N(S(=O)(=O)C)c4cc(F)c(c(F)c4)B(O)O)c(C5CC5)cc3c2C(NC)=O)F	2920
+c1cc(ccc1-c2oc3cc(c(cc3c2C(NC)=O)C4CC4)N(S(=O)(=O)C)c5ccc(B(O)O)c(C(F)F)c5)F	2920
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3sccc3C#N	17
+c1cc(ccc1-n2ncc3c2nccc3B(O)O)F	4384
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3csc(Nc4cccc(C)n4)n3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ncoc3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-n3c4ncncc4cn3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-n3nnnc3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C(=O)OCC)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C(N)=O)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(N3CCC(OC3=O)(C(C)C)CCCO)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C34CCC(CC3)(OC4)CC(=O)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(=O)NC3CC3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Cc3c(nc4c(F)ccc(c4c3OC(F)F)OCC(=O)OC)CC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3C(C(C)(C)OC3=O)c4ccccc4	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)OC3C(C(OCC)C(C(O3)C)OC)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=O)N(CCN(C)C)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCC3CC(C3)OC4OCCCC4	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCc3cnc(OC)cc3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3nc4N(C)C(N(C(c4n3Cc5cccc(OC)c5)=O)C)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)c3ccc(N)nc3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)(C)O	17
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)C(Nc3sc4CCCCc4n3)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CC3)C(OCC)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C=3NOC(=O)N=3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(C(=O)OC)NC(C)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(OCC)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCC#N	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3cc(NC(=O)C4CCCN4C(=O)C(NC(=O)OC)C(C)C)ccc3	632
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3cnn(c3)C	632
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)F	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3C(CCCC3)OC(=O)C	372
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(Cl)ccc(c3)F	372
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)N3CCC(F)C3	372
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)NC(Nc3ccc(C(N(C)C)=O)c(c3)F)=O	17
+CC1(C)C(C)(C)OB(O1)c2cnc(OCc3ccc(cc3)OC)c(OCC)c2	234
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(ccc(F)c3)F	372
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(C)(C)=O	17
+CC1(C)C(C)(C)OB(O1)c2ccc3c(cnn3S(=O)(=O)c4ccc(cc4)C)c2	17
+CC1(C)OB(OC1(C)C)c2cnc(CCC#N)cc2	234
+CC1(C)OB(OC1(C)C)c2ccc(N3C(OCC3)=O)nc2	234
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c(C(=O)N4Cc5ccccc5C4)nc(N)n3)c2	372
+CC1(C)OB(OC1(C)C)c2cc(-c3sc4c(cccc4)n3)c(N)nc2	234
+CC1(C)OB(OC1(C)C)C2=CN(C(=O)c3ccccc23)C	4379
+CC1(C)OB(OC1(C)C)c2ccnc(NC(C)c3ccccc3)c2	1809
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3CCC(c4ccccc4)(OC3=O)CC(C)(C)O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3CCC(c4ccccc4)(CCc5nnc(C)o5)OC3=O	17
+CC1(C)C(C)(C)OB(O1)c2ccc(c(C(=O)NCc3ccccc3)c2)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(C(OCc3ccccc3)=O)cc2OC	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)CC(NC(OCc4ccccc4)=O)CC3	17
+CC1(C)C(C)(C)OB(O1)c2ccc3nccc(c3c2)OCc4ccccc4	17
+CC1(C)OB(OC1(C)C)c2cc(OC)c(c(OC)c2)Cc3ccccc3	17
+CC1(C)OB(OC1(C)C)c2cc(Cc3ccccc3)c(O)cc2	17
+CC1(C)C(C)(C)OB(O1)C2=CN(C)C(c3n(Cc4ccccc4)c(cc23)C(=O)OCC)=O	7968
+OB(O)c1ccnc2n(ncc12)-c3ccc(F)cc3Cl	4384
+CC1(C)OB(OC1(C)C)c2cc3c(ccnc3cc2)-c4ccncc4	17
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2)-c3ncccn3	632
+CC1(C)C(C)(C)OB(O1)c2cc(-c3ncc(cn3)OCC)ccc2	632
+OB(O)c1cnc(NC(=O)NCC)cc1-c2nc(cs2)-c3cnn(C)c3	2028
+CC1(C)OB(OC1(C)C)c2c(ccc(-c3cn(nc3)C)c2)Cl	17
+CC1(C)OB(OC1(C)C)c2cc([N+]([O-])=O)c(-c3c(C(=O)OCC)cnn3C4COCC4)cc2	17
+CC1(C)OB(OC1(C)C)c2ccc(c(F)c2)-c3n(C4CCOC4)ncc3C(=O)OCC	17
+CC1(C)C(C)(C)OB(O1)c2cc(cc3c2n4c(C(=O)NCC4)c3C)F	2919
+CC1(C)OB(OC1(C)C)c2cc(cnc2)-c3ocnc3	234
+CC1(C)C(C)(C)OB(O1)c2cncc(CC(OC)=O)c2	234
+CC1(C)C(C)(C)OB(O1)c2cc(-c3ncc(cn3)OCCOC)ccc2	632
+CC1(C)OB(OC1(C)C)c2ccc(c(F)c2)-c3cnc(nc3)N	632
+CC1(C)C(C)(C)OB(O1)c2cnc(nc2)N3C(C)CCC3	7969
+CC1(C)OB(OC1(C)C)c2cc(cc(Nc3nccc(C)n3)c2)C	17
+CC1(C)C(C)(C)OB(O1)c2cc(-c3ncccn3)c(c(c2)[N+]([O-])=O)N	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-n3nccn3	17
+CC1(C)C(C)(C)OB(O1)C=2C=C(Nc3nn4c(c3)COCC4)C(=O)N(C)C=2	1371
+CC1(C)CC(C)(C)CC(=C1)c2c(cccc2[N+]([O-])=O)C	563
+CC1(C)C=C(CC(C)(C)C1)c2c([N+](=O)[O-])cccc2F	7970
+C1CCCC12CC=C(c3onc(C(=O)OCC)c3C)CC2	7971
+CC(C)(C)OC(=O)N1CCCC(c2cc(c(N)nc2)-c3n(-c4c(c(F)ccc4)F)nnn3)=CC1	1076
+FC(F)(F)c1cc(ccc1)Nc2c3ccc(C)c(C4=Cc5c(N(C)C4=O)nc(NC)nc5)c3ccn2	7972
+CC1(C)Cc2c(n3CCN(c4nccc(C5=CN(C(C(=C5)Nc6cc7n(CCOC7)n6)=O)C)c4C=O)C(=O)c3c2)C1	2870
+CC1(C)CCC(=CC1)c2cc(CCS(=O)(=O)N(C)C)ccc2N	563
+CC1(C)CCC(c2cc(C(=O)C)ccc2N)=CC1	563
+C1COC2(O1)CC=C(CC2)c3c(ccc(n3)C(O)=O)F	4376
+FC(F)(F)COc1ncc(cc1C2=CCCCC2)C(=O)OC	1076
+FC(F)(F)COc1c(cc(cn1)C(=O)Nc2cnccc2)C3=CCCCC3	7973
+c1c(cc(C=2CCCCC=2)c(N)c1)Br	4385
+c1cc(ccc1)-c2c(sc(n2)-c3c(nc4n3cc(cc4)C=5CCCCC=5)C)C(=O)OCC	1076
+c1c(c(c(cc1C(=O)OC)C=CCOC)C)Br	7974
+CC1(C)C(C)(C)OB(O1)CCCCC(NC(=O)C)(C2CCN(CC2)Cc3ccccc3)C(NC(C)(C)C)=O	48
+CC1(C)C(C)(C)OB(O1)CCCCC(C(NC(C)(C)C)=O)(NC(=O)C)C2CCNCC2	62
+CC1(C)C(C)(C)OB(O1)c2c(C)n(nc2)CC3COC(C)(C)O3	4386
+CC1(C)OB(OC1(C)C)c2cn(CC(F)(F)COCc3ccccc3)nc2	4386
+CC1(C)OB(OC1(C)C)c2cnc(OCCCN(C)C)cc2	3869
+CC1(C)C(C)(C)OB(O1)c2ccc(CCCN(C)C)c(Cl)c2C	585
+CC1(C)OB(OC1(C)C)c2cc(CCN(C)C)c(cc2)OC	585
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)[Si](C)(C)C)F	585
+CC1(C)C(C)(C)OB(O1)c2c(cccc2C)C	585
+CC1(C)OB(OC1(C)C)c2n(C)ncc2C	4387
+CC1(C)OB(OC1(C)C)c2c(C)nn(c2)-c3cncc(F)c3	7975
+CC1(C)OB(OC1(C)C)c2c(F)c(Cl)ccc2C(F)F	1327
+CC1(C)C(C)(C)OB(O1)c2c(F)cc(cc2F)OC3CCOCC3	1327
+CC1(C)OB(OC1(C)C)c2c(F)cc(cc2F)-c3c(C)onc3C	1327
+CC1(C)OB(OC1(C)C)c2ccnn2-c3ccc(cc3)C#N	4387
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)CCCCCCCC	7976
+CC1(C)OB(c2cc(ccc12)C)O	7977
+c1c(c(C=O)c(c(c1)-c2ccnc(Cl)n2)C)OC	379
+c1cc(ccc1-c2c(c(cc3ccc(Cl)cc23)CC(OC)=O)C)Sc4c(Cl)cccc4	99
+c1cc(ccc1-c2c(C)ccs2)F	7978
+c1(C(Nc2nc(c(-c3c(c(Cl)cc(OC)c3)Cl)nc2)N)=O)ccnn1C	1728
+c1cc(ccc1-c2c(Cl)cc3c(CC(=O)N3)c2)Cc4c(cccc4)OC	99
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)Oc3ccccc3	1191
+c1(cc(cc(F)c1-c2c(ccc(C(OC)=O)n2)F)N3CCOCC3)F	245
+c1(F)cc(cc(F)c1-c2c(F)ccc(C(OC)=O)n2)OC3CCOCC3	245
+O=S(=O)(N(C)c1c(cc2c(oc(C34C(CCC3)C4)c2C(NC)=O)c1)-c5nc-6c(cc5)OCn7c8cccc(F)c8cc-67)C	362
+CC(C)(C)[Si](C)(C)OCc1cc2nc(c3ncc(C#Cc4ccc(cc4C)OC)cc3c2cc1)N	7979
+Nc1c(cc(C)cc1)-c2ncnc(OC)c2	379
+FC(F)Oc1cc(F)ccc1-c2nc(ncn2)Nc3cccc(CS(=O)(=O)C)c3	2079
+O=S(=O)(C)N1CC(N(Cc2oc3C(c4ccncc4OCCOC)=CN(C(=O)c3c2)C)CC1)C	2710
+FC(F)(F)c1ccccc1Sc2ccc(cc2)-c3c(c(cc4ccc(cc34)F)CC(OC)=O)C	99
+O=S(=O)(C)c1cnc(cc1)-c2c(C)c(CC(=O)OC)cc3ccc(cc23)F	245
+c1ccccc1COCCCOc2c(ccc3c2B(OC3C[N+]([O-])=O)O)F	4388
+CC1(C)C(C)(C)OB(O1)c2ccc(CC(O)=O)cc2F	4
+CC1(C)C(C)(C)OB(O1)c2c(N)cc(CO[Si](C)(C)C(C)(C)C)cc2	78
+CC(C)(C)[Si](C)(C)OCc1cc2nc(c3ncc(C#Cc4ccc(cc4C)OC)cc3c2cc1)N	7980
+N#Cc1ccc(Oc2ccc3B(O)OCc3c2)cc1C(OC)=O	2191
+Fc1cc(cc(F)c1-c2c(F)ccc(C(OC)=O)n2)C3(CCC3)O	245
+C1CC(CCO1)c2cc(F)c(c(F)c2)-c3nc(C(OC)=O)ccc3F	245
+CN(C)Cc1cc(-c2cc3c(cc2F)n(nc3)C4OCCCC4)cnc1	156
+c1(C=O)cc(c(C)cc1)-c2ccnc(Cl)n2	379
+CC1(C)OB(OC1(C)C)c2c(ccc(c2)NC(=O)c3c(cc(S(=O)(=O)C)cc3)Cl)Cl	67
+NC(=O)c1c(c2ccc(-c3c(C)nn(C)c3C)cc2nc1)Nc4cccc(c4)C(=O)OCC	7981
+FC(F)(F)c1[nH]c2c(-c3c(C)nn(C)c3C)cccc2c1CCCOc4cc(C)c(c(c4)C)Cl	7982
+Cc1noc(C)c1-c2ccc3C(C=C(C)N(c4ccc(cc4F)F)c3c2)=O	7983
+c1c(C)c(c(cc1OCCNS(=O)(=O)C)C)-c2c3CCC(c3c(cc2)F)Oc4ccc5c(c4)OCC5CC(OC)=O	99
+c1cc2C(CCc2c(c1)-c3c([N+]([O-])=O)cccc3)=O	4389
+O=S(=O)(N1CCN(CC1)Cc2sc3c(c(N4CCOCC4)nc(-c5c6c[nH]nc6ccc5)n3)c2)C	7984
+Cc1cc(cc(C)c1Cl)OCCCc2c[nH]c3c(cccc23)-c4c(n(C)nc4CO)C	7985
+CC1(C)C(C)(C)OB(O1)c2c3c(cccc3)ccc2CNc4c(C)cc(cc4C)C	608
+CC1(C)C(C)(C)OB(O1)c2c(CNc3ccccc3)ccc4ccccc24	608
+FC(F)(F)c1nc2nccc(-c3cc(F)cc(-c4ccccc4C#N)c3)c2cc1	4390
+n1cc(cnc1-c2cccc(c2)CC3=NN(C=CC3=O)c4cn(C)nc4)OCC	4391
+n1cc(cnc1-c2cccc(c2)CC3=NN(C=CC3=O)c4cn(C)nc4)OCCOC	4391
+O=S(=O)(C)N(C)c1c(-c2cc(-c3nc4ccccc4s3)ccc2)cc5c(c1)oc(-c6ccc(cc6)F)c5C(NC)=O	99
+c1(c(ncc(c1)-c2n3nc(-c4ccc(OC)c(OC)c4)sc3nc2)N)C#N	2921
+FC(F)(F)C(=C)c1cc(C)c(c(c1)C)N	2192
+c1c(C)c(c(cc1-c2nnc(OC)c(C(C)=O)c2)C)O	746
+CC(C)Cn1c2c(c(cc(-c3ccc(-c4cccc(n4)C)cn3)c2)C)c5ccccc15	4114
+CC(C)(C)OC(=O)Nc1cc(C)cc(-c2ccncc2[N+](=O)[O-])c1	7986
+CC1CN(CC(C)O1)c2c(c(F)c(cc2C=O)-c3cnc(Br)cn3)F	7987
+CC1CN(CC(C)O1)c2c(cc(c(F)c2F)-c3cnc(N)cn3)C=O	1368
+CC1(C)CC(c2c3c([nH]c2)c(C(=O)N)cc(-c4csc(C=O)c4)c3)CCS1(=O)=O	4392
+C1N(CC1)Cc2cc(-c3cc(c4[nH]cc(C5CCS(=O)(=O)C5)c4c3)C(=O)N)cs2	4392
+FC(F)(F)C(C)OCc1cc(cc(c1)-c2cc(nn2-c3ccc(cc3)F)N)Cl	1016
+c1c(Cl)nc(cc1-c2cnc3n2ccc(Cl)c3)Cl	7988
+c1cc(ccc1-c2cc(F)c(c(Cl)c2)C=3C(CCC=3OC)=O)Cl	99
+CN(C)CCNc1cc(cc(-c2cncc(N)c2[N+]([O-])=O)c1)F	156
+O=S(=O)(C)NCc1cc(F)cc(c1)-c2c([N+]([O-])=O)c(ccn2)N	362
+CC1(C)C(C)(C)OB(O1)c2c(cc(F)c(NC(=O)OC(C)=C)c2)C	2922
+Nc1c(cc(C)c(-c2cc3c(nc2)cc(nc3)Cl)c1)F	156
+CN(C)S(=O)(=O)c1c(cc(cc1)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C)C(O)=O	99
+c1ccccc1COC(N2CCCC2c3ccc(cc3)-c4cc(NC(C5CC5)=O)ccc4)=O	99
+C1CC1NC(=O)Nc2ccc(C)c(C3=Cc4cnn(-c5c(F)cccc5F)c4N(C3=O)C)c2	7989
+CC(C)(C)CCNC(Nc1c(F)cc(C)c(-c2cc3cnc(SC)nc3nc2C)c1)=O	7990
+O=S(=O)(c1cccc(-c2ccc(c3[nH]c(C)c(c23)C)C(N)=O)c1)C=C	492
+O=S(=O)(NC1CCC(CC1)O)c2c(ccc(-c3cnc(N)nc3C)c2)Cl	1207
+Nc1c([N+]([O-])=O)cc(-c2cc(F)c(cc2)[N+](=O)[O-])cc1	99
+C1CC1c2c(OC(F)(F)C)cc(cn2)O	4393
+C[Si](C)(C)CCOCn1c(Br)c(-c2cc(OC)c(N)nc2)nc1N3CCNCC3	2923
+FC(F)(F)Oc1cnc(cc1)-c2ccc(C(O)(C(C)(C)C)c3cncnc3)c(C)c2	245
+O=Cc1ccc(cc1[N+]([O-])=O)-c2ncccc2	245
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)F)NC(c3sc4c(C(=O)C(C)(C)C4)c3)=O	2810
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)c3cc4c(CC(C)(C)C4O)s3)c(cc2)F	7991
+CC(C)(C)OC(Nc1cc(C=2CCCC=2)ccc1[N+](=O)[O-])=O	2924
+O1CCOC12CCC(=CC2)c3cc(c(cc3C)[N+]([O-])=O)OC(C)C	2924
+C1CC(CCN1c2c(C#N)cc(cn2)-c3cc(F)c(N4C=NN(CCC)C4=O)cc3)c5nc(on5)C(C)C	391
+C1OC(CCC1)Oc2cc(Cl)c3c(B(OC3CC(OCC)=O)O)c2	7992
+C1CCCN1CCNc2cc(cc(-c3ccc4c(c(ncn4)N)n3)c2)F	1592
+C1CCCC1n2c3ccnc(c3c(-c4cc(CC#N)ccc4)n2)OC	2925
+C(=C(C(=O)O)OC)c1cc(c(cc1)-c2cc(ccc2)N(C(=O)NCCCCCCC)C)OCCCC	1049
+FC(F)(F)c1cc(NC(=O)c2cc(c(C)c(I)c2)-c3cccc(c3)[N+]([O-])=O)ccc1	4394
+n1cccc(C#N)c1-c2c(F)ccc([N+]([O-])=O)c2	362
+C(#N)c1ccccc1-c2c(ccc([N+]([O-])=O)c2)F	99
+c1cc(ccn1)C2(N=C(c3c(F)cccc23)N)c4ccc(F)c(c4)-c5cncc(C#N)c5	7993
+c12cnc(-c3cncc(OC)c3)cc1c4c([nH]2)ncc(c4)F	2926
+n1cc(cc(OC)c1)-c2nn3c(s2)ncc3I	7994
+c1cc(ccc1)CN2CCOC(COc3ccc(cc3)-c4ccnc(C)c4)C2	1802
+c1cc(ccc1C=2C(C(C(Nc3ccc(cc3)-c4c(ncc(-c5cc(C)ncc5)c4)N)=O)=CN(CCF)C=2)=O)F	1420
+c1ccccc1-c2nc(c(c(-c3cc4NC(=O)Nc4cc3)n2)C(C(=O)OC)CCC)C	379
+c1ccccc1OCCOc2c(C(OC)=O)nc(cc2)-c3cc4c(CCCN4)cc3	245
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)C(=O)N(CC3)C	497
+c12c([N+]([O-])=O)ccnc1n(cc2-c3ccc4c(N(CC4)C)c3)C	4167
+c1cc(ccc1F)-c2c(c3cc(-c4nc5c(oc(n5)Cc6ccc(cc6)F)cc4)c(cc3o2)N(S(=O)(=O)C)C)C(NC)=O	245
+c1cc(ccc1-c2oc3cc(c(cc3c2C(NC)=O)-c4cn5ccnc5cc4)N(S(=O)(=O)C)C)F	156
+FC(F)Oc1c(c(OCC(=O)NCCC)c(-c2cc3c(cc2)C(=O)NC3)cc1)OC	99
+C1CN(CCO1)c2c(nc3c(cc(-c4c(cccc4C)C(c5nccnc5)O)cc3)c2)N	99
+O=S(=O)(C)N(C)c1c(-c2nc-3c(cc2)OCn4c5ccccc5cc-34)cc6c(oc(C=7CCCC=7)c6C(=O)NC)c1	362
+C1CN(CCC1Cn2ccc3cc(ccc23)-c4c(C)n(C5CCCCO5)nc4)C(CCc6ccccc6)=O	1122
+c1cncc(c1-c2[nH]c3c(cc(cn3)-c4cc(-c5nccnc5)nn4CC)c2)C	2927
+CC1(C)C(C)(C)OB(O1)c2cc3c([nH]2)c(OCC)ccc3	7995
+C[Si](C)(C)CCOCn1c2ccc(cc2nc1)-c3nc(CS(=O)(=O)C)cc(N4CCOCC4)n3	4395
+FC(F)(F)c1cc(c(-c2cc(Br)cnc2OC)cc1)C=O	156
+CC1(C)C(C)(C)OB(O1)c2ccc(C3OCC(CC)CC3)cc2F	7996
+FC(F)(F)c1c(c(c(COc2cnc(cc2)-c3ccc(cc3C)CC(=O)OC)cc1)C(OC(C)(C)C)=O)O	362
+O=S(=O)(N(Cc1cc(Cl)c(cc1)-c2ccc(cc2)N3C(c4c(OCC3)ncnc4N)=O)C)C	99
+CC(C)Cn1c(cc(C(OCC)=O)n1)-c2ccc(cc2)-c3ccc(c(S(=O)(=O)C)c3)CO	99
+CC1(C)C(C)(C)OB(O1)c2c(F)cc(NC(=O)Oc3ccccc3)cc2	90
+c1(N2CC(CNC(OC)=O)OC2=O)ccc(-c3cnc(-c4nnnn4C)cc3)c(F)c1	156
+FC(F)(F)c1c(ccc(-c2ncc(cn2)-c3cccc(C=O)c3CC)c1)OC(C)C	261
+FC(F)(F)c1cc(ccc1OCCC2CCN(CC2)C(=O)OC(C)(C)C)-c3cc(c(c(n3)C#N)N)NC	362
+CC1(C)C(C)(C)OB(O1)c2ccc(c(c2)C(F)(F)F)OCCCO	168
+FC(F)(F)c1cc(ccc1OCc2cnccc2)-c3cc(c(c(n3)C#N)N)NC	362
+n1cc(cnc1-c2cc(C#N)c(cc2)CC(C)C)Br	2520
+c1cc(ccc1)CNC(=O)c2cc(C=3c4c(C(N(C=3)C)=O)cccc4)ccc2OC	4396
+FC(F)(F)c1c(ccc(c1)-c2cc(c(c(n2)C#N)N)NC)OCOCCOC	362
+CC(C)(C)OC(=O)c1c(F)ccc(-c2c(CC(=O)OC)cc3oc(-c4ccc(cc4)F)c(C(=O)NC)c3c2)c1	1049
+n1cc(cnc1N2CCOC(Cn3c4nc(-c5cn(C)nc5)cnc4nn3)C2)-c6ccc(C=O)c(F)c6	1207
+c1cc(ccc1)COCn2c(C=O)c(c(Cc3c(cccc3)F)c2-c4ccc(OC(F)F)c(OC5CC5)c4)C(=O)OCC	3955
+C[Si](C)(C)CCOCn1c2cnnc(c2c(Cl)c1-c3cc(c(cc3)OC)OC4CCC4)O	7997
+FC(F)(F)c1c(ccc(c1)-c2cc(c(c(n2)C#N)N)NC)OCCCO	362
+CC(C)Cc1cc(ccc1-c2ccc(c(CC(C)C)c2)-c3ccc(OC)c(Cc4cccc5c4cccc5)c3)CCC#N	1049
+CC(C)Cc1c(-c2cc(c(OC)cc2)Cc3cccc4c3cccc4)ccc(CCC#N)c1	1049
+c1cc(ccc1-c2ccc(cc2)C(O)=O)-c3onc(C)c3NC(OC(C)c4c(Cl)cccc4)=O	99
+c1cc(ccc1-c2c(cc3[nH]cc(C(OC)=O)c3c2)Br)-c4c(O)cccc4	756
+c1cc(ccc1-c2cc3c(C=O)c[nH]c3cc2F)-c4c(O)cccc4	99
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)-c3cnc(N)c(-c4nc5c(ccnc5)o4)n3)=O	1368
+c1cc(ccc1-c2nc(C3CCCN3C(=O)OCc4ccccc4)n5ccnc(c25)N)C(=O)Nc6sc7CCCCc7n6	1729
+c1cc(ccc1-c2c(F)c(F)c(c(F)c2F)N)CCCCCCCC	99
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)COc3cc4c(cc3)C(c5c(C(O)=O)cccc5)=C6C(=CC(C=C6)=O)O4	1
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)NCc3cnccc3	7998
+c1cc(ccc1-c2c(N)ncc(c2)Br)N	1642
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NS(=O)(=O)c3cccc(c3Cl)Cl	69
+c1cc(ccc1N)-c2cc([N+](=O)[O-])c3ccccc3n2	7999
+c1cc(ccc1-c2nc(c3c(CN(C)C3)n2)N4CCOCC4C)N	261
+c1cc(ccc1-c2cccc3c(nccc23)Nc4ccc5c(cccn5)c4)N	99
+c1cc(ccc1-c2c(C#N)c(cnc2)Cl)N	4397
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(C3=C(N(CC(C)(C)O)N(c4ccccc4)C3=O)C)=O	1349
+c1cc(ccc1N)-c2n3c(nc2)cnc(C(=O)N(C)c4ccc(cc4)C#N)c3	2193
+c1cc(ccc1-c2nc(N3C(C)COCC3)c4c(n(nn4)CC)n2)N	261
+c1cc(ccc1B(O)O)S(=O)(=O)Nc2c(F)cc(c(F)c2)C(OC)=O	1050
+O=Cc1c(cc(-c2ccc(cc2C)O)cc1)OCCCC	99
+c1cc(ccc1-c2ccc(CN(C)C(=O)C)cc2Cl)N3C(c4c(OCC3)ncnc4N)=O	99
+c1c(-c2ccc(cc2F)OC)c(F)cc(c1)C(=O)OC	99
+n1c(ccc(c1)-c2cc3c(nc(o3)C)cc2C)N	4398
+c1(Cl)cc2c(cc1-c3cnc(cc3)N)ocn2	4398
+FC(F)(F)c1ccc(cc1)-c2nc(-n3cc(-c4ccc(nc4)N)nc3C)nc(c2)C	2923
+FC(F)(F)c1ccc(-c2cc(nc(-n3cc(-c4cnc(N)cc4)nc3)n2)C)cn1	8000
+n1nc(-c2cnc(cc2)N)ccc1	1633
+O=S(=O)(c1ccc(-c2oc(C)cc2)c(F)c1)Nc3cc([N+](=O)[O-])ccc3	4399
+O=S(=O)(c1ccc(-c2ccc(C)o2)cc1Cl)Nc3cc(N)ccc3OC	4399
+C(CC1(C(=O)c2ccc(cc2CC1)-c3ccc([N+]([O-])=O)cn3)C)(OCC)=O	245
+c1cc(ccc1F)-c2n(nc(C)c2-c3ccc4c(NC(=O)CO4)c3Cl)C	1122
+O(C)c1c(F)c(c(F)c(OC)c1)-c2nc3n[nH]c(c3cn2)-c4ccc5C(=O)N(CC(C)O)Cc5c4	918
+c12c(N(C(=O)O1)C)cc(cc2)-c3cnccc3C(C)O	156
+c1ccc2CN(Cc2c1)C(c3nc(nc4c3cc(-c5c(C=O)cc(F)cc5)cc4)N)=O	99
+OB(O)c1cc2ccc(Cl)cc2cc1	1050
+O=S(=O)(C)Cc1cc(N2CCOCC2)nc(-c3cc4cnn(c4cc3)S(=O)(=O)c5ccc(cc5)C)n1	261
+C1CC1C(NS(=O)(=O)CC)c2cc(-c3cc4ccc(cc4cc3)C#N)cnc2	156
+c1cc(ccc1)-c2ccc3ccc(cc3n2)-c4c5c(ncnc5N)n(-c6ccccc6)c4	3874
+C1CC1N2C(=O)COC3(CCN(CC3)C(C)c4ccc(cc4)-c5ccc6cccnc6c5)C2	803
+FC(F)(F)c1cccc(C(=O)Nc2c(C)c(c(cc2C)C)-c3cc4c(nc(N)nc4)cc3)c1	99
+O=S(=O)(c1c(cccc1C)Cl)Nc2c(Cl)ncc(c2)-c3ccc4nc(sc4c3)NC	8001
+FC(F)(F)c1cccc(Oc2nccc3c(-c4ccc5nc(NC)ncc5c4)c(ccc23)C)c1	756
+CC(C)(c1cc(-c2c3c([nH]nc3)ncc2)ccc1)C#N	8002
+CC(C)(C)OC(=O)c1ccc(cc1)NC(=O)c2cc(ccc2)-c3cn4ncnc4c(Br)c3	1642
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2cnc3n2ncc(-c4cccc(c4)C(=O)OC)c3	8003
+C(c1c(ccs1)-c2cc(ccc2)-c3cnc4n3ccc(C=O)c4)#N	2193
+COc1cc(cc(OC)c1)-c2cccc(C(OCC)=O)c2	99
+c12ccc(cc1[nH]c3c(ccc(-c4c(c(N5C(=O)C=C6N(C=CC=C6Cl)C5=O)ccc4)C)c23)C(=O)N)COC	492
+c1cc(ccc1S(=O)(=O)n2cc(c3c(cccc23)-c4nc(OC)c5c(n4)CCN(Cc6ccccc6)C5)C)C	4395
+FC(F)(F)c1ccc(cc1)-c2nc(nc(c2)C)-n3cc(nc3)-c4cccnc4	2923
+c1cc(ccc1CNc2c(cc(cn2)-c3cnccc3)-c4ncsc4-c5c(c(ccc5)Cl)Cl)OC	907
+n1cc(cnc1N2CCCC(Cn3nnc4ncc(nc34)-c5cn(C)nc5)C2)-c6ccn(CCOC7OCCCC7)n6	8004
+N1(C)C=C(c2ccnc(c2COC(=O)C)N3C(c4n(c5CCCCc5c4)CC3)=O)C=C(C1=O)Nc6nn7CCOCc7c6	8005
+c1cnccc1-c2c(-c3occn3)nc(c([N+](=O)[O-])c2)N	1420
+c1cnccc1-c2cn(nc2-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F)CCOC5OCCCC5	8006
+c1cc(ccn1)-c2cc(c(nc2-c3cc(F)ccc3)N)[N+](=O)[O-]	1420
+c1cnccc1-c2cc(cc(F)c2)Br	1802
+c1cc(ccc1Cl)-c2c(-c3ccncc3)c(Cl)ncc2	1420
+FC(F)(C(F)(F)Cl)c1ccc(cc1)NC(c2cc(-c3n(C4OCCCC4)ncc3)c(nc2)N5CCC(C5)O)=O	2928
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc(c(nc2)OCCOC)-c3n(C4OCCCC4)ncc3	2928
+CC(C)n1ncc(c1)-c2cc(Oc3ccc(N)c(c3)F)ccn2	1396
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc(-c3ccc(nc3)-c4cccc(N)c4)c2	1029
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3cc(c(nc3)N)-c4nc5c(c(ccc5)C(=O)OC)o4)cn2	1029
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc(-c3nc(OC(C4CNC(=O)C4)C)c5c(nn(c5)C)c3)c2	1675
+C[Si](C)(C)CCOCn1c2ncc(nc2c(c1)C=O)-c3cnn(CC)c3	8007
+c1cc(ccc1[N+](=O)[O-])-c2c(cn(CC)n2)-c3cc(nc4c3cc[nH]4)Cl	4400
+c1cc(ccc1-c2nn(CC)cc2-c3c4cc[nH]c4ncc3)[N+](=O)[O-]	4400
+C1CC1c2ccc(-c3nc(c4cn(nc4c3)C)OC(C5CNC(=O)C5)C)cn2	4401
+c1(C)cc(cc(C)c1C(=O)OC)-c2cc(c(OC)nc2)OC	391
+C[Si](C)(C)CCOCn1cc(nc1-c2ccc(cc2Cl)-c3c(cc(nc3)OCC4(CCC4)C(OCC)=O)C)C(F)(F)F	391
+C[Si](C)(C)CCOCn1cc(nc1-c2c(Cl)cc(cn2)-c3cnc(cc3C)OCC4(CCC4)C(OCC)=O)C(F)(F)F	907
+FC(F)(F)c1cc(-c2nc(C#N)c(c(NC)c2)N)cnc1OCCC3CCN(CC3)C(=O)OC(C)(C)C	1608
+FC(F)(F)c1cc(NC(Cc2ccc(cc2F)-c3cc(c(OCc4ccc(cc4)OC)nc3)OCC)=O)cnc1C(C)=O	391
+FC(F)(F)c1c(N)ncc(c1)-c2cc(nc(Cl)n2)Cl	2788
+FC(F)(F)c1cc(-c2cnc3n2nc(s3)-c4cccc(S(=O)(=O)C)c4)cnc1N	2921
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4nc(-c5cnc(c(c5)C)OC)c(C)c(C)c4)=O	1608
+O=S(=O)(c1ccc(cc1)-c2cnc(nc2)CC)Nc3c(F)c(F)c(c(F)c3F)C(=O)OC	1629
+c1nc(ncc1-c2ccc(cc2)C3(c4ccc(c(OC5CCCC5)c4)OC)C=CC(CC3)=O)N	1629
+FC(F)(F)C1CCCN1c2ncc(cn2)-c3nc(ccc3)N	8008
+C1OC(CCC1)OCCCN2C(=O)N(c3c(cc(cn3)O)C2=O)C	4393
+C1CCCCC1c2cc3cc(cnc3[nH]2)-c4n(nc(-c5nccnc5)c4)CC	2927
+C1CCCCC1c2cc3cc(-c4n(nc(c4)-c5cnccc5)CC)cnc3[nH]2	2927
+C(C)OC(c1cncc(-c2cnc(NC(NCC)=O)cc2Br)c1)=O	2711
+FC(F)(F)c1csc(-c2c(-c3cc(cnc3)C(=O)OCC)cnc(NC(=O)NCC)c2)n1	907
+c1(cncc(c1)-c2ccc(-c3cc4c(C(N(C4)C)=O)cc3)s2)N	8009
+COc1c2c(C#N)cnn2cc(-c3cnn(C)c3)c1	1029
+n1c(F)c(cc(-c2cnn(C)c2)c1)F	4111
+O(c1ccnc(-c2cnn(C)c2)c1)c3cnc(cc3)[N+]([O-])=O	1396
+O(c1cnc(cc1)N)c2ncnc(-c3cnn(C)c3)c2	2194
+c1(cc(-c2cnn(C)c2)ccc1N)C	320
+c1(c(c(c(cc1)Oc2cc(-c3cnn(C)c3)ncc2)F)F)N	1396
+Nc1ccc(-c2cnn(C)c2)cc1[N+]([O-])=O	320
+c1cc(cc(-c2c(cc(-c3cnn(C)c3)cc2)C=O)c1OC)CC(OCC)=O	320
+CN1C(c2c(C=C1)cc(-c3cnn(C)c3)cc2)=O	320
+c1cc(ccc1N)-c2c(N)ncc(-c3cnn(C)c3)c2	1029
+c1cc(ccc1-c2cnn(C)c2)C=3CCNCC=3	320
+c1cc(ccc1Cl)-c2cnn(c2)C	8010
+n1(C)ncc(-c2nnc(cc2)Cl)c1	3707
+c1ccccc1-c2nn(c3c2cc(-c4cn(nc4)C)nc3)C5CCCCO5	1864
+c1ccccc1S(=O)(=O)n2ccc3cc(-c4cnn(C)c4)cnc23	1029
+n1c([nH]c2ncccc12)-c3cc(-c4cnn(C)c4)cnc3N	1029
+C1CC1n2ncc(-c3cc4c(N(C(C)CN4)C(=O)C)cc3)c2	320
+n1n2c(c(c1)-c3ccnc(Cl)n3)CCCC2	2194
+CC1(C)C(C)(C)OB(O1)c2c(Cl)cnn2C	697
+c1(cc(-c2ccnn2C)c(C)s1)C(=O)OC	1730
+c1(cc(-c2ccnn2C)c(Cl)s1)C(=O)OC	1730
+c1(cc(-c2ccnn2C)cs1)C(=O)OC	1730
+COc1c(-c2ccnn2C)cc(s1)C(=O)OC	1730
+o1c(cc(-c2ccnn2C)c1C)C(=O)OC	4402
+CCn1c(ccn1)-c2coc(c2)C(=O)OC	4402
+CC(C)(C)OC(=O)N(C(C)C)c1ncc(-c2cc(c3nc(C(=O)OCC)cn3c2)-c4ccccc4)s1	8011
+CC1(C)OB(OC1(C)C)c2c(cccc2C)N	2666
+c1ccccc1COC(=O)NC2C(C)(C)C(C)(C#N)CC2	8012
+CC1(C)C(C)=Cc2cc(Sc3cc(ccc3)O)ccc2O1	5
+CC1(C)c2c(ccc([N+](=O)[O-])c2)N=C1C	77
+c1(c(Cl)c(c(c(F)n1)Cl)COC(C2C(C)(C)C2C=C(Cl)Cl)=O)F	204
+ClC(Cl)=CC1C(C)(C)C1C(=O)OCc2cc(ccc2)-c3cscc3	204
+CC1(C)CC(=O)C(C)(C)c2c1cc(C=Cc3cc(C)c(cc3)C(=O)O)c(C)c2	86
+CC1(C)c2c(C(C)(C)CC1CC)ccc(C)c2	8013
+CC1(C)c2ccc(cc2C(C1CC=O)=O)CC	8014
+CC1(C)CCCCC1CN(C)c2cccc(F)c2	891
+CC1(C)c2cc(OC)c(cc2CCC1=O)CC	1818
+ClC1(Cl)C(COS(=O)(=O)c2ccc(cc2)C)C1(C)C	36
+FC(F)(F)c1c(-c2c(CBr)nc3cccc(c3n2)Cl)cccc1	4403
+FC(F)(F)c1cc(Br)cnc1OCC	8015
+c1(c(c(ccc1F)Br)F)-c2ccc(cc2C#N)F	1718
+Nc1cc(OC)c(cc1Cl)Br	1718
+c1(cc(cc([N+]([O-])=O)c1C)Br)C(=O)O	1718
+c1c([N+](=O)[O-])cc(cc1Br)[N+](=O)[O-]	1718
+c1cc(cc(c1)-c2c(nc3c(n2)c(Cl)ccc3)CBr)F	4403
+c1ccccc1-c2c(nc3c(cc(F)cc3)c2C(OC)=O)C(C)Br	8016
+C(O)CCc1n2c(c(Br)c1)c(N)ncn2	8017
+CC1(C)Nc2ccc(Br)c(CNc3ccccc3OC)c2N(C1=O)C	1731
+CC1(C)C(=O)N(c2c(N(CC)C1=O)ccc(O)c2)C	5
+CC1(C)c2ccc(-c3cnccc3)c(F)c2N(C)C1=O	1617
+CC1(C)C(N(c2c(cc(CCC(OCC)=O)cc2)N(C1=O)C)CC)=O	159
+CC1(C)c2c(N(C)C1=O)cc(O)cc2	5
+c1cc(ccc1)CN2C(C3(CC3)O)COC(C)(C)C2=O	8018
+CC1(C)C(N(c2ccc(cc2N(C)C1=O)OCCCI)CC)=O	363
+C1CCCC1N2c3c(cnc(Nc4ccc(cc4OC)C(=O)O)n3)N(C)C(C(C)(C)C2)=O	55
+CC1(C)C(N(c2c(cc(cc2)CCC(=O)O)N(C1=O)C)CC)=O	3
+CC1(C)C(N(C)c2c(CCl)c(ccc2N1)Br)=O	229
+CC1(C)c2c(N(CC)C1=O)cc(c(c2)[N+](=O)[O-])N	106
+CC1(C)C(=O)N(c2c(cc(C=O)cc2)N(C)C1=O)CC	1543
+CC1(C)C(N(c2ccc(OCCCNS(=O)(=O)c3ccccc3[N+]([O-])=O)cc2N(C)C1=O)CC)=O	71
+O=S(=O)(c1c(cccc1)[N+](=O)[O-])N(CCc2cnccc2)CCCOc3ccc4N(C(=O)C(C)(C)C(=O)N(c4c3)C)CC	2821
+CC1(C)C(=O)N(CC)c2c(N(C1=O)C)cc(OCCCn3c(CN4C=Cc5c(cc(C)o5)C4=O)nc6ccccc36)cc2	1519
+CC1(C)C(NC(c2c(N)c(N)c(Br)cc12)=O)=O	0
+CC1(C)C(NC(=O)c2c1cc(c3c2[nH]c(-c4ccc(c([N+](=O)[O-])c4)C)n3)Br)=O	622
+c1cc(ccc1)-c2cn3ncc(C(=O)N)c(NC4CCC(C(=O)OC)(C4(C)C)C)c3c2	550
+CC1(C)C(c2cccc(Br)c2)Nc3c(cc(cc3C(OC)=O)Cl)C1	414
+CC1(C)C(Nc2c(C1)cc(Cl)cc2C(O)=O)c3cccc(NC(c4cnccn4)=O)c3	466
+C1CC1S(=O)(=O)NC(c2c3c(CC(C)(C)C(c4cccc(c4)NC(c5cnccn5)=O)N3)cc(Cl)c2)=O	258
+CC1(C)C(Nc2c(cc(cc2C(OC)=O)Cl)C1)c3cc(N)ccc3	0
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(=O)OC)[N+]([O-])=O	414
+O=S(=O)(C1CC1)NC(=O)c2cc3CC(C)(C)C(Nc3cc2)c4c(ccc(c4)F)C	258
+CC1(C)C(Nc2c(C1)cc(Cl)cc2C(O)=O)c3cc(N)ccc3	1
+CC1(C)C(=O)Nc2c(CO)c(Br)ccc2N1	98
+C1COCCN1c2cnc3c(NCC3(C)C)c2	15
+CC1(C)C(Nc2ccc(cc2C1)C(OCC)=O)c3cccc([N+](=O)[O-])c3	414
+C1CN(CCN1c2c(cc(C)cc2)C)c3cc(C4Nc5ccc(cc5CC4(C)C)C(=O)O)ccc3	6
+CC1(C)Cc2cc(C(OCC)=O)ccc2NC1c3cccc(N)c3	0
+CC1(C)C(c2c(ccc(c2)F)C)Nc3c(cc(cc3)C(OCC)=O)C1	414
+CC1(C)CC(CCC1O)Nc2c(C#N)cnc(n2)NCCc3cc(Cl)c[n+]([O-])c3	435
+CC1(C)CC(CCC1O)Nc2nc(ncc2C#N)NCCc3c(ccc(Cl)c3)S(=O)(=O)N	435
+CC1(C)Cc2cc(C(OCC)=O)ccc2NC1c3cc(ccc3)Br	414
+c1cc(ccc1C(CC(C)(C)C(=O)O)=O)Br	882
+O=S1(=O)c2c(cc(c(c2C(=O)C(C)(C)C1)C)C(C)=O)C	902
+CC1(C)C(=O)c2c(C1)cc(CCCCCC)c(O)c2	5
+CC1(C)C(Nc2c(cc(cc2)C(O)=O)C1)c3c(ccc(c3)F)C	6
+CC1(C)C(Nc2c(C1)cc(cc2C(OC)=O)Cl)c3cc([N+](=O)[O-])ccc3	414
+CC1(C)C(c2cccc(-c3ccc(cc3)S(=O)(=O)C)c2)Nc4c(cc(C(=O)NS(=O)(=O)C5CC5)cc4)C1	258
+CC1(C)Cc2cc(ccc2NC1c3cccc(c3)NS(=O)(=O)C)C(O)=O	80
+CC1(C)C(n2cncc2C(O)C)c3c(C(=O)O1)cccc3	3920
+CC1(C)C(c2ccccc2C(=O)O1)n3cncc3C=O	614
+CC1(C)C(c2ccccc2C(O1)=O)n3cncc3C(=O)C	4404
+CC1(C)C2(CC2CC1CC=C(C=O)C)C	3799
+FC(F)(F)C(N1CCC2(c3cccc(c3CC1C2(C)C)O)C)=O	520
+CC1(C)C2CCC1(C3=C2C(N(c4c(Cl)cc(F)cc4)N3Cc5c(F)cc(cc5)F)=O)C	4405
+c1cc(ccc1F)CN2N(C(=O)C3=C2C4(CCC3C4(C)C)C)c5ccc(F)cc5Cl	4405
+CC1(C)C(CC=C(C)CO)CC2C1(C2)C	8019
+CC1(C)COc2c(C13C=C(C(N)=N3)F)cc(Br)cc2	8020
+CC1(C)C2=CCC3C4CC=C(C4(CCC3C2(C)CCC1O)C)C(C)CCCC(C)C	8021
+c1cc(ccc1)C(=O)OC2C(C)(C)C3=CCC4C(C3(C)CC2)CCC5(C(=CCC45)C(C)CCCC(C)C)C	279
+CC1(C)C2(C3=C(C(=O)N(N3)c4c(Cl)cc(cc4)F)C1CC2)C	8022
+CC1(C)C2CC1C(C(C(OC)=O)C2)C	204
+CC1(C)C2CC(C(C)C1C2)C(N)=O	2168
+CC1(C)C(C(c2c(O1)ccc(c2)CC(NC3CCCc4ccccc34)=O)N)O	8023
+Cc1cc(cc(C)c1O)CNC(c2sc(c3c2CC4C(C)(C)C34)C)=O	227
+CC1(C)C2C(C(CC1C2)C(=O)Cl)C	130
+CC(C)(c1cc2c(C3C(CCC(=O)C3)C(C)(C)O2)c(O)c1)C(=O)O	4
+CC1(C)C2C1c3c(C2)c(sc3C)C(=O)O	6
+CC1(C)C2=NC(C(=O)NCc3ccc(F)cc3-c4oc(cn4)C)=C(C(=O)N2CCO1)OCc5ccccc5	8024
+CC1(C)C=2N(C(C(=C(C(O)=O)N=2)OCc3ccccc3)=O)CCO1	108
+CC1(C)Oc2c(C(C(C)C)=C1)cc(c(OCC)c2)C(=C(F)C(OCC)=O)C	2905
+CC1(C)C=C(C)c2c(ccc(c2CNc3ccccc3OC)-c4ccc(cc4OC)OS(=O)(=O)CCC)N1	444
+CC1(C)C=C(C)c2c(N1)ccc(c2CNc3ccccc3OC)-c4c(cc(cc4)OC(c5c(nccc5)C)=O)OC	8025
+CC1(C)C=C(C)c2c(ccc(-c3ccc(OCOC)cc3OC)c2CNc4ccccc4OC)N1	1731
+CC1(C)C=C(C)c2c(CNc3ccccc3OC)c(-c4c(cc(O)cc4)OC)ccc2N1	241
+CC1(C)CC(C)(C)CC(c2c(cccc2F)N)=C1	0
+CC1(C)C(C)(C)C=C(C1)c2c(N)cccc2	0
+CC1(C)Oc2c(C(C(C)C)=C1)cc(c(O)c2)C(=O)C	5
+CC1(C)C=C(N2C(C=C(C=C2)C(CCO)O)=O)c3c(O1)ccc(C#N)c3	44
+CC1(C)C=C(C)c2c(c(-c3ccc(cc3OC)OCOC)ccc2N1)CCl	438
+CC1(C)Nc2ccc(c(COc3c(C)ccc(c3)F)c2C(=C1)C)-c4ccc(cc4OC)OCOC	20
+C1CC(CCC1=O)(C)C	1678
+CC1(C)C=Cc2c(cc3c(nc(cc3C)C#N)c2)O1	8026
+CC1(C)Cc2ccc(cc2C=C1)C#N	180
+CC1(C)C2C(c3cc(ccc3O1)CC(=O)NC4CCCc5ccccc45)O2	8027
+CC1(C)CCC(CC(=O)OCC)(C[N+](=O)[O-])C1	3680
+CC1(C)CC(=O)C2=C(NC(=C(C2c3ccccn3)C(=O)OCC)COCCN)C1	18
+CC1(C)c2c(c(C)cc([N+]([O-])=O)c2)NC(=O)C1	31
+c1cc(ccc1C)S(=O)(=O)Nc2c(cccc2)Cc3c4C(CC(C)(C)Cc4n(CC(=O)OCC)c3C)=O	69
+CC1(C)Cc2[nH]c(c(Cc3c(cccc3)[N+]([O-])=O)c2C(=O)C1)C	2188
+c1ccccc1COc2ccc3OC(C)(C)CC(=O)c3c2	22
+CC1(C)C=C(CC(C)(C)C1)c2c(cccc2C)N	0
+c1cc(ccc1C#Cc2cc3c(c(c2)C=O)OC(C)(C)CC3(C)C)CC(=O)OC	129
+O=S(=O)(NC(c1ccc(nc1N2CC(C)CC2(C)C)Cl)=O)c3c(nccc3)O	43
+c1ccccc1S(=O)(=O)NC(c2ccc(-c3cc(cc(F)c3)OCC(C)C)nc2N4CC(C)CC4(C)C)=O	43
+C1CC1CN2CCN(CC2)c3c(C=4CC(C)(C)CC(C)(C)C=4)cccc3	252
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(O)c(Cl)c2)c3ccc(cc3)C=CC(=O)OCC	233
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(O)c(Cl)c2)c3ccc(cc3)C=CC(=O)O	108
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)OCC)c3ccc(O)c(F)c3	233
+CC1(C)CC(CC(C)(C)C1)=C(c2ccccc2)c3ccc(cc3)C=CC(=O)OCC	233
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)N)c3ccc(cc3)O	2045
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)O)c3ccc(O)c(F)c3	108
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)-c3c(cccc3)CO)c4ccc(cc4)O	88
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccc(cc3)-c4c(COC)cccc4	49
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccc(cc3)C=CC(OCC)=O	233
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccc(cc3)-c4ccccc4C(=O)OC	11
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)O)c3ccc(cc3)O	108
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)OCC(OCC)=O)c3ccccc3	52
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)OCC(=O)N)c3ccccc3	83
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)OCC(=O)O)c3ccccc3	3
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)O)c3ccccc3	108
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)Br)c3ccc(O)c(F)c3	904
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccc(cc3)Br	904
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(O)c(Cl)c2)c3ccc(cc3)Br	904
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)Br)c3ccccc3	904
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccccc3	904
+CC1(C)CC(CC(C)(C)N1Cc2ccc(cc2)Cl)=O	131
+CC1(C)CC(CC(C)(C)N1)N2C(=O)c3ccccc3C2=O	672
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)Br)ccn2	306
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(-c3ccc(-n4ccc(n4)N)cc3O)nn2)C	5
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3ccc(cc3O)-c4ncn(COCC[Si](C)(C)C)c4)C	5
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(nn2)-c3ccc(cc3OC)-c4ncn(COCC[Si](C)(C)C)c4	1715
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(-c3ccc(-n4nc(cc4)N)cc3OC)nn2	746
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(OC)cc4c(c(O)ccn4)c3)C	746
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(nn2)-c3ccc(cc3OC)O	746
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(cc4nccc(c4c3)Cl)OC)C	120
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(O)cc4nccc(OC)c4c3)C	260
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(cc4nccc(Cl)c4c3)O)C	5
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(cc(cc3)-c4cnc[nH]4)O)C	503
+CC1(C)CC(CC(C)(C)N1)N(c2sc(-c3ccc(-n4nccc4)cc3OC)nn2)C	4173
+CC1(C)CC(CC(C)(C)N1)N(c2sc(nn2)-c3c(cc(cc3)-n4nccc4)O)C	5
+CC1(C)CC(CC(C)(C)N1)N(C)c2nnc(cc2)Cl	212
+CC1(C)CC(CC(C)(C)N1)N(c2nnc(Br)s2)C	2339
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(O)C)ccn2	100
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(N)C)ccn2	18
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(C)N=[N+]=[N-])ccn2	2780
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(C)OS(=O)(=O)c4ccc(cc4)C)ccn2	36
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(=O)C)ccn2	379
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(C)(C)N)ccn2	213
+CC1(C)CC(CC(C)(C)N1)Nc2nccc(n2)-c3ccc(CCC(C)(C)N)s3	3295
+CC1(C)CC(CC(C)(C)N1C)Nc2ncc3c(n(-c4ccc(cc4)OC)nn3)n2	96
+CC1(C)CC(CC(C)(C)N1CC(F)(F)F)(c2ccc(c(c2)C=3CCC(C)(C)CC=3)NC(=O)c4nc(c[nH]4)C#N)O	251
+CC1(C)CC(CC(C)(C)N1CC(F)(F)F)=O	86
+CC1(C)CC(CC(C)(C)N1Cc2ccc(cc2)Cl)N	733
+CC1(C)CC(CC(C)(C)N1Cc2ccc(cc2)Cl)=NO	350
+CC1(C)CC(CC(C)(C)N1O)OCC2OC2	649
+CC1(C)CC(CC(C)(C)N1OCC(C)(C)O)NCCCC	87
+CC1(C)CC(CC(C)(C)O1)C(=O)O	459
+CC1(C)CC(CC(C)(C)O1)C(=O)C=[N+]=[N-]	1945
+CC1(C)c2c(ccc(C)c2)C(C)(C)CC1CCO	21
+CC1(C)C(C(=O)O)CCC(O)(c2sc(cn2)-c3cc(cc(c3)C)Nc4nccc(C)n4)C1	4
+CC1(C)CC(CCC1C(OC)=O)(O)c2sc(cn2)-c3cc(cc(c3)C)Nc4nccc(C)n4	836
+CC1(C)CN(C)C(C1)c2nnc3n2cc(F)cc3	757
+CC1(C)OCCC(N2CCN(C(Nc3ccc(Oc4cc(ncc4)-c5cn(nc5)C)cn3)=O)C2=O)C1	3953
+CC1(C)c2cc(C(=O)O)ccc2NC(c3cc(C#N)ccc3)C1	6
+c1ccccc1NC(c2cccc(c2)C3Nc4c(C(C)(C)C3)cc(cc4)C(=O)OCC)=O	67
+CC1(C)CC(Nc2c1cc(cc2)C(=O)OCC)c3cccc(C(O)=O)c3	1
+CC1(C)c2c(NC(c3cccc(N)c3)C1)ccc(Cl)c2	0
+CC1(C)CC(Nc2c1cc(cc2CC)CCCCl)=O	165
+CC1(C)c2ccccc2NCC1	15
+FC(F)(COc1c(CNc2ncc(C#N)c(NC3CCC(O)(C)C(C)(C)C3)n2)cncn1)C	435
+CC1(C)CC(O)(CCC1)CNc2ncnc3c2CN(CC3)c4ncc(C)cc4	40
+CC1(C)C=Cc2cc(Br)ccc2C1	1358
+CC1(C)Oc2cc(C(C)(C)CCCCCC)cc(O)c2C(C(=O)O)C1	16
+CC1(C)CC(c2c(C1)ccc(c2)Br)O	74
+CC1(C)CC(=O)c2c(Cc3ccccc3N)c(C)n(c2C1)CC(=O)OCC	0
+CC1(C)CC(CCS1(=O)=O)c2c3cc(cc(c3[nH]c2)C(N)=O)Br	393
+CC1(C)CC(=O)c2cc(O)ccc12	956
+CN(C)CCOc1ccc2c(C(=O)C(C)(C)CC2c3ccc(cc3)Cl)c1	72
+C1CN(CCN1c2cccc(c2)C3CC(C)(C)c4cc(ccc4N3)C(=O)O)c5c(cc(C)cc5)C	6
+CC1(C)CC1C(=O)Nc2c3c(F)c(cnc3[nH]c2)Br	469
+CC1(C)CC2(CC2)Oc3c(cc(cc13)C#Cc4ccc(c(F)c4)C(=O)O)C5CC5	1
+CC1(C)CC2(CC(C)(C)N1c3nc(Cl)nc(Cl)n3)OCCO2	436
+CC1(C)CC2=C(C(=O)C1)C(c3c(N2)c(C(N)=O)[nH]c3)c4ccc(Sc5[nH]c6ccccc6n5)o4	247
+CC1(C)CC2=C(C(c3ccc(Sc4[nH]c5ccccc5n4)o3)c6c[nH]c(C(=O)O)c6N2)C(=O)C1	6
+CC1(C)C(N2CC(c3n4c(c(Cl)ncc4)cn3)CCC2C1)=O	856
+C[Si](C)(C)CCOCn1cc(nc1C(Nc2ccc(cc2C3=CCC(C)(C)CC3)C4(CCS(CC4)(=O)=O)C#N)=O)C#N	616
+CC1(C)CCC(c2c(cc(C(C)=O)cc2)N)=CC1	0
+CC1(C)CCC(c2ccc(OC)cc2N)=CC1	0
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(Br)cc2C=3CCC(C)(C)CC=3	616
+CC1(C)CCC(=CC1)c2c(cc(C(C)(C)O)cc2)NC(c3nc(c[nH]3)C#N)=O	2929
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C=3CCC(C)(C)CC=3)CCC(=O)N	616
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(C=3CCC(C)(C)CC=3)cc(cc2)CCS(=O)(=O)N(C)C	616
+CC1(C)c2c(c(cc(Br)c2)O)C(=O)CC1	5
+CC1(C)CCC(=CC1)c2c(ccc(c2)CCC(=O)N)N	989
+CC1(C)CC=C(CC1)c2c([N+](=O)[O-])cc(cc2)C(=O)C	989
+CC1(C)c2c(c[nH]n2)C(CC1)=O	8028
+CC1(C)CCC(C)(C)C1C=O	1143
+CC1(C)CCC(C)(C)C1O	100
+CC1(C)CCC(C)(C)C1C(=O)Cl	130
+CC1(C)CCC(C)(C)C1OC(C2(CC2)NC(=O)OCc3ccccc3)=O	27
+CC1(C)CCC(C)(C)C1OC(=O)C2(CC2)N	1388
+CC1(C)c2cc(C=O)cc(O)c2C(C)(C)CC1	146
+CC1(C)c2c(OC)c(C#N)c(cc2C(C)(C)CC1)C	1421
+FC(F)(F)S(=O)(=O)Oc1c2C(C)(C)CCC(C)(C)c2cc(c1)C(=O)C	376
+CC1(C)c2c(C(C)(C)CC1)c(cc(C(C#Cc3cc(O)c(cc3)C(O)=O)O)c2)OCCOCC	121
+c1cc(ccc1C#CC(c2cc(c3c(C(C)(C)CCC3(C)C)c2)OCCOCC)O)C(=O)O	121
+CC1(C)c2c(cc3c(NC(N3)=S)c2)C(C)(C)CC1	1357
+CC1(C)CCC(C)(C)c2c1cc(C(=O)CC)c(O)c2	5
+CC1(C)CCC(C)(C)c2c1cc(O)c(c2)C(C)=O	5
+CC1(C)CCC(C)(C)c2cc(N)c(cc12)N	0
+CC1(C)CCC(C)(C)c2c1cc(c(c2)Br)Cn3nccc3	309
+c1cc(ccc1C(Cl)=O)C#CCc2ccc3C(C)(C)CCC(C)(C)c3c2	82
+CC1(C)CC2(CC1)CNC(=O)C2	1980
+c1ccccc1-c2c(cc(CC3CCC(C)(C)CC3)nc2O)OCOP(O)(O)=O	4406
+FC(F)(F)c1cc(ccc1)NC2=CC(C(C)(C)CC2)=O	4407
+CC1(C)CCC(C(C1=O)=CN(C)C)=O	2509
+CC1(C)c2cc(N)ccc2NC(=O)CC1	0
+CC1(C)CCC(=O)Nc2cc(O)ccc12	2599
+C[Si](C)(C)CCOCn1cc(nc1C(=O)Nc2cc(C(=O)C)ccc2C=3CCC(C)(C)CC=3)C#N	616
+CC1(C)CCCC(C)(C)N1c2nc(Cl)cc(Cl)n2	117
+CC1(C)C(CCCC1)CNc2cccc(F)c2	291
+c1c(F)c(c(cc1)F)C(=O)c2sc(nc2N)NC3CCN(CC3)S(=O)(=O)CCCN4CCCC(C)(C)C4	183
+CC1(C)CCC(=O)c2c1cc(Br)cc2OC	1720
+CC1(C)c2c(CCC1)cc(C(C)=O)c(O)c2	5
+CC1(C)CCCc2c1cc(OC)c(C(=O)C)c2	94
+CC1(C)c2ccccc2N(c3ccccc3NC(=S)NC(=O)c4ccccc4)CC1	865
+CC1(C)c2ccc(C(CCCCC)=C)cc2OCC1	2748
+c1cc(ccc1OCC(CCCCC)c2ccc3c(OCCC3(C)C)c2)C(=O)OC	20
+CC1(C)c2ccc(cc2OCC1)N	106
+O=S1(=O)c2c(C(C)(C)CC1)c(c(cc2C)C(C)=O)Cl	902
+CC1(C)CCSc2ccc(C#Cc3ncc(cc3)C#N)cc12	2351
+CC1(C)CCSc2ccc(C#Cc3ncc(cc3)C(O)=O)cc12	2160
+CC1(C)CCSc2ccc(cc12)C#Cc3ncc(cc3)C(=O)OCC	342
+CC1(C)CCc2c(nc3c(c2C1)c4c(o3)c(ncn4)NCc5cnccc5)OC	8029
+CC1(C)CCc2c(nc3oc4c(ncnc4c3c2C1)NCc5cnccc5)O	104
+CC1(C)c2cc(C=O)c(cc2CC1)O	5
+CC1(C)c2cc(OC)ccc2C(=O)C1	8030
+CC1(C)c2c(cc(OC)c(F)c2)CC1	4408
+CC1(C)N(CC(N(c2c(Cl)ccc(F)c2)C1)=O)CC(NS(=O)(=O)c3ccccc3[N+](=O)[O-])C4OC(C(C)C4)=O	4409
+FC(F)(F)S(=O)(=O)Nc1ccccc1CN2CC(C)(C)COC2=S	1422
+CC1(C)CC(N(C1)C)C(=O)NNc2ncc(F)cc2	355
+CC1(C)CN(C)C(c2nnc3n2cc(OC4CCC(c5c4cccc5)N)cc3)C1	870
+O=S(=O)(N1CCN(N=O)C(C)(C)C1)C	4410
+CC1(C)CN(CCOCC2CO2)C(=O)C(C)(C)N1C	649
+CC1(C)CN(C(=S)OC1)Cc2c(N)cccc2	0
+c1cc(ccc1OCOC)-c2nc3c(c(c2)CN4CC(C)N(CC4(C)C)Cc5cnccc5)c(C)nn3C6CCCCO6	2141
+O=S(=O)(CC)c1ccc2c(c1)N(CC2(C)C)C(=O)C	562
+O=S(=O)(c1c(cc2c(N(C(C)=O)CC2(C)C)c1)Br)Cl	240
+C[Si](C)(C)C#Cc1ccc(nc1)N2CC(C)(C)CC2=O	3878
+CC1(C)OCC(CCO)N(C(c2cc(c3oc(nc3c2)NC(C)c4cc(ccn4)Cl)OC)=O)C1	30
+CC1(C)OCC(N(C1)C(=O)c2cn3c(nc(n3)NCc4cccc(Cl)c4)c(OC)c2)CCO	211
+CC1(C)CN(CCN1)S(=O)(=O)C	112
+c1cc(ccc1)CN2Cc3c(nc(cc3)O)C(C)(C)C2	131
+CC1(C)c2ncc(Br)cc2N(C1)c3c4c(nc(-c5ccccn5)c3C)cc(cc4)F	8031
+CC1(C)CN(c2c1cc(Br)cc2)S(=O)(=O)c3cc(c(OCC(=O)OCC)cc3)C	416
+CC1(C)OB(OC1(C)C)c2cn(nc2)CC(C)(C)O	2790
+CC(C)(O)COc1c(cc([N+]([O-])=O)cc1)OC	626
+CC(C)(O)Cn1cc(nc1)I	2930
+CC(C)(O)Cn1ccc(n1)[N+](=O)[O-]	2790
+CC(C)(O)COc1c(OC)cc(Br)cc1	626
+CC(C)(O)Cn1ncc2cc(ccc12)Oc3c(cc(cc3)F)C#N	4411
+CC(C)(O)COc1ccc(cc1OC)N2C(C=C(C=C2)OCc3ccc(cc3)F)=O	626
+c1ccccc1CN(Cc2ccccc2)CC3CCN(CC3)CC(C)(C)O	170
+O=Cc1c2c([nH]c1)cc(Cl)c(c2)-c3cc4OCC(CO)Oc4cc3	2625
+c1cc(ccc1-c2cc3c(cc2Cl)[nH]cc3C=O)C4(CCC4)CO	2625
+c1cc(ccc1C2(COC2)COCc3ccccc3)-c4c(Cl)cc5[nH]cc(C(OC)=O)c5c4	749
+C1CN(CCN1CCCOc2ccc(cc2)-c3c(Cl)cc4c(c(C(=O)OC)c[nH]4)c3)C	749
+CC1(C)OCC(OC1)CN	18
+c1cc(ccc1)COc2nc(c(cc2)F)NCC3COC(C)(C)CO3	430
+CC1(C)COC(c2ccc(cc2)C(O)=O)=N1	1
+CC1(C)COCC(C)(C)N1N=O	8032
+CC1(C)COCC(C)(C)N1N	1651
+CC1(C)COc2ccc(-c3cc(cnc3)F)cc2C14C=C(C(N)=N4)F	305
+CC1(C)c2cc(cc(c2OC1)Br)C(=O)NC	14
+CC1(C)COc2cccc(Oc3ncc(cn3)[N+]([O-])=O)c12	893
+CC1(C)COc2c1c(O)ccc2	5
+n1cc(cnc1Oc2cccc3OCC(C)(C)c23)N	193
+CC1(C)CC(c2c(n(c(C)c2Cc3ccccc3[N+]([O-])=O)CC(=O)OCC)C1)=O	2318
+CC1(C)Cc2c(C(=O)C1)c(cn2-c3cccc(F)c3)CC	4412
+c1nc(ncc1)-n2c3c(C(=O)CC(C)(C)C3)c(c2)CC	8033
+CC1(C)Cc2[nH]nc(c2CC1)-c3cc4ccc(NC)cc4[nH]3	2931
+CC1(C)Cc2n(cc(C)c2C(C1)=O)-c3cc(Br)c(C#N)cc3	4413
+CC1(C)CC(c2c(n(cc2C)-c3cc4c(cc3)c(N)ncc4C(C)=NO)C1)=O	4413
+CC1(C)Cc2[nH]cc(CC)c2C(=O)C1	2603
+CC1(C)CC(=O)c2c(c([nH]c2C1)C)C(c3ccccc3[N+]([O-])=O)O	8034
+CC1(C)Cc2ccc(cc2C=N1)[N+]([O-])=O	77
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(-c5cc6nc(CCC)[nH]c6nc5)ccc4OCC3	3859
+CC1(C)Cc2c(CC1)ncnc2N3Cc4c(OCC3)ccc(-c5cc(c(N)nc5)NC(CCC)=O)c4	308
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(-c5cc6c(nc5)[nH]c(C(F)F)n6)ccc4OCC3	2684
+CC1(C)Cc2c(CC1)ncnc2N3Cc4c(OCC3)ccc(c4)-c5cnc(N)c(c5)N	13
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(ccc4OCC3)-c5cnc(N)c([N+]([O-])=O)c5	89
+CC1(C)Cc2c(Cl)ncnc2CC1	64
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(ccc4OCC3)B(O)O	54
+CC1(C)C(c2cccc(-c3ccc(cc3)S(=O)(=O)C)c2)Nc4c(cc(cc4)C(O)=O)C1	11
+CC1(C)Cc2cc(cc(CO)c2O1)Br	98
+CC1(C)Cc2c3[nH]c(nc3cc(C(OC)=O)c2O1)Nc4c(Cl)cccc4C	1701
+CC1(C)Oc2c(cc(-n3cnnn3)cc2C1)C(=O)OCC	797
+Clc1c[n+](cc(Cl)c1NC(=O)c2cc(C3=NC(C)(C)Cc4c3c5c(OC(C)(C)C5)c(c4)OC)ccc2)[O-]	414
+CC1(C)Cc2c(O)cccc2C1N3CCCCC3	5
+CC1(C)Cc2c(c(cc(c2)Cl)C(=O)OC)O1	47
+c1cc(ccc1S(=O)C)N2CCN(CC2)c3c(C)c4CC(C)(C)Oc4c(C)c3C	357
+CC1(C)Cc2c(C(=O)C1)c(CC)c(C(=O)O)[nH]2	6
+CC1(C)Oc2c(cc(cc2C1)Cl)O	173
+CC1(C)Cc2c(c(OC(C)=O)cc(Cl)c2)O1	196
+CC1(C)Cc2c(c(OC(=O)C)cc([N+]([O-])=O)c2)O1	77
+CC1(C)Oc2c(CO)cc(cc2C1)Cl	98
+c1ccccc1COC2C(CCCC2)Nc3cc(ccc3C#N)-n4c5CC(C)(C)CC(c5c(CC)n4)=O	250
+CC1(C)Oc2c(C1)c(c3oc(CC)cc3c2)CO	4414
+c1cc(ccc1-c2c(cccc2)C3=NOC(=O)N3)CN4C(=NC(=C(c5ccc6OC(C)(C)Cc6c5)C4=O)CC)CCC	618
+CC1(C)Oc2c(N)ccc(Cl)c2C1	0
+CC1(C)C(O)c2cccc(OC)c2C1	74
+CC1(C)Cc2c(n3c(C(=O)N(CC3)c4nccc(C5=CN(C)C(C(=C5)Nc6cc7n(CCOC7)n6)=O)c4CO)c2)C1	269
+CC1(C)N2c3c(C(=O)C(=C2)C(NCc4ccc(cc4)Cl)=O)cc(cc3C1)C#CCO	1267
+CC1(C)Oc2c(c3nc([nH]c3cc2C(O)=O)Nc4c(cccc4Cl)C)C1	1
+CC1(C)Cc2c(O1)c(C(=O)OC)cc(Br)c2	47
+CC1(C)Cc2c(NC1c3cc(ccc3)Br)ccc(c2)C(O)=O	6
+CC1(C)C(c2cccc(N)c2)Nc3c(cc(cc3)C(O)=O)C1	6
+c1ccccc1C2=NC(C)(C)Cc3c2c4c(OC(C)(C)C4)c(OC)c3	8035
+CC1(C)Cc2cc(cc(CCl)c2O1)Br	229
+CC1(C)Cc2c(O1)c(OC)cc3C(C(C)(C)N=C(c4cc(C(=O)Nc5c(Cl)c[n+](cc5Cl)[O-])ccc4)c23)O	8036
+CC1(C)Cc2cc3n(CCN(C3=O)c4nccc(Cl)c4CO)c2C1	269
+CC1(C)Cc2cc3C(=O)N(CCn3c2C1)c4c(C=O)c(ccn4)Cl	2334
+CC1(C)Cc2cc3C(N(CCn3c2C1)c4nccc(Cl)c4COC(C)=O)=O	204
+FC(F)(F)c1c(C(=O)Nc2ccc3CC(C)(C)OB(O)c3c2)ccc(F)c1	3576
+CC1(C)NCc2cc(ccc2C1)[N+]([O-])=O	1172
+CC1(C)Cc2c(ccc(C(O)=O)n2)CC1	1
+CC1(C)Cc2c(cc(C(O)=O)s2)C1=O	6
+CC1(C)c2ccc(cc2C(C)(C)N1C)N	0
+CC1(C)OC2CCCCC2N1c3nc4ccc(CNc5ncnc(Cl)c5[N+]([O-])=O)cc4s3	40
+FC(F)(F)C(NC(=O)C(=O)N1C(C)(C)C(C(=O)OCC)CC1)C	8037
+CC1(C)N(CCN(C1)c2c(OC)cc(N)cc2)C3COC3	0
+CC1(C)N(CCNC1)C	15
+FC(F)(F)c1nc(-c2cccc(C(=O)N3CC(C)(C)N(CC3)c4ccc(C#N)cn4)c2)no1	30
+CC1(C)N(c2scc(n2)-c3c(cc(cc3)C#N)F)C(OC1)=O	180
+CC1(C)N=C(c2cc(N)ccc2N(C1=O)C)c3ccccc3F	0
+CC1(C)N=C(c2c(N(C)C1=O)ccc(c2)[N+]([O-])=O)c3c(F)cccc3	239
+C1CCC2(C1)N(CC(C)(C)NC2=O)Cc3ccccc3	1330
+c1cc(ccc1C(NC)=O)OCC(O)CN(Cc2ccccc2)C(COc3cc4c(OC(C)(C)NC4=O)cc3)C	170
+CC1(C)c2c(C(=O)N1C)c(ccc2)[N+](=O)[O-]	497
+c1cc(ccc1CC2N(C(C)(C)C3C2C(=O)N(Cc4ccccc4)C3=O)C)Br	2195
+CC1(C)NC(=O)c2c(O1)ccc(OCC(C)NCc3ccccc3)c2	87
+CC1(C)NC=2N(CC1)C(=O)C=C(N=2)Cl	8038
+CC1(C)CN(C(=O)CN1CC(C2CC(C(O2)=O)CC)NS(=O)(=O)c3ccccc3[N+](=O)[O-])c4c(C)cccc4	4409
+CC1(C)N(CCNC1=O)C	8039
+c1cc(ccc1CN2C(C)(C)C(NCC2)=O)OC	1330
+c1ccccc1CN2CCNC(=O)C2(C)C	1330
+FC(F)(F)C(=O)N1Cc2cc(ccc2CC1(C)C)[N+](=O)[O-]	520
+CC1(C)Nc2ccc(c(CO)c2N(C)C1=O)-c3cc(ccc3OC)Cl	65
+CC1(C)Nc2ccccc2N(C)C1=O	239
+CC1(C)C(N(c2c(N1)cc(N)cc2)C)=O	0
+c1ccccc1C(Oc2cc(c(-c3c(COc4c(C)ccc(c4)F)c5c(NC(C)(C)C=C5C)cc3)cc2)OC)=O	1039
+CC1(C)C=C(c2c(c(-c3ccc(cc3OC)OCOC)ccc2N1)CO)C	65
+CC1(C)C(=O)N(C)c2c(ccc(-c3cc(ccc3OC)Cl)c2CCl)N1	438
+CC1(C)Nc2ccc(-c3ccc(O)cc3OC)c(COc4c(C)ccc(c4)F)c2C(=C1)C	241
+CC1(C)Nc2cc([N+]([O-])=O)ccc2N(C)C1=O	4415
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	1423
+CC1(C)OB(O)c2ccc(C=O)cc12	2196
+CC1(C)c2cc(c(F)cc2B(O)O1)C=NO	135
+CC1(C)c2c(ccc(C(Cl)=NO)c2)B(O1)O	761
+CC1(C)OB(O)c2ccc(C=NO)cc12	135
+COc1c(ccc(N)n1)C(=C)C	4416
+c1cc(ccc1)-c2ncc(C(C)=C)cc2	8040
+c1ccccc1-c2nccc(c2)C(C)=C	8041
+n1cc(N)cc(C(=C)C)c1	4416
+FC(F)(F)c1cc(c(OCc2ccccc2)cc1)C3=C(B(O)O)CCCC3	8042
+C(OC(CC1CC=C(CC1)c2c3cc(ccc3ncc2)F)=O)C	8043
+c1(c([N+]([O-])=O)cccc1)C=2CCCC=2	8044
+O=S(=O)(C)c1cc(c(cc1)F)C2=CN(C(=O)c3ccccc23)C	4417
+c1cc(ccc1S(=O)(=O)n2ccc3c2C(=O)N(C=C3c4c(c([N+](=O)[O-])c(cc4)N)Oc5c(F)cc(cc5)F)C)C	4418
+c1cc(ccc1S(=O)(=O)n2ccc3C(c4ccc5OCC(Nc5c4Oc6ccccc6)=O)=CN(C(=O)c23)C)C	4418
+O=S(=O)(c1cc(c(OCC2CC2)cc1)C3=CN(C(C=4CCCCC3=4)=O)C)C	8045
+CN(C)c1cc2c(cc1)C(=O)N(c3cccc(C4=CN(C(C(Nc5ncc(C(=O)N6CCOCC6)cc5)=C4)=O)C)c3)C=C2	8046
+CC(C)(C)OC(=O)N1CC=C(c2cc3c(nnc(C(N)=O)c3Nc4c(cc(cc4)C)F)cc2OC)CC1	563
+CC(C)(C)OC(N1CC=C(c2n3C(c4ncccc4)COc5c3c(n2)ccc5-c6c(noc6C)C)CC1)=O	8047
+FC(F)(F)c1cc(cc(N)c1)C=2CCN(C(OC(C)(C)C)=O)CC=2	563
+FC(F)(F)c1nc(NC(Nc2c3c(ncc2)ccc(C=4CCN(C(OC(C)(C)C)=O)CC=4)c3)=O)ccc1	563
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3c(ncn2)CCC3C	8048
+CC(C)(C)OC(=O)N1CC=C(CC1)c2cc(Cl)nc(Cl)c2	8049
+CC(C)(C)OC(N1CC=C(c2ccc(N)c(CC)c2)CC1)=O	563
+CC(C)(C)OC(N1CC=C(c2cnc([N+](=O)[O-])cc2)CC1)=O	1076
+CC(C)(C)OC(N1CC=C(c2cnc(N)c(-c3noc(n3)-c4ccccc4)n2)CC1)=O	8050
+CC(C)(C)OC(=O)N1CC=C(c2n(c3c(c(ncn3)-c4cc(F)ccc4OC)c2)S(=O)(=O)c5ccccc5)CC1	8051
+CC(C)(C)OC(N1CC=C(CC1)c2ccc(cc2)C(C(OC)=O)C)=O	4385
+CC(C)(C)OC(=O)N1CCC(=CC1)c2nc(c(cc2)C(N)=O)-c3ccc(cc3)C(OC)=O	4419
+CC(C)(C)OC(N1CC=C(c2ncc(cc2)C(=O)Nc3cn4c(cc3)nc(C)c4)CC1)=O	4419
+CC(C)(C)OC(N1CCC(=CC1)c2cnc(nc2)N3CCOC(Cn4c5nc(-c6cn(C)nc6)cnc5nn4)C3)=O	8052
+CC(C)(C)OC(=O)N1CCC(=CC1)c2cc(c3OC(Cc3c2)C4CCN(CC4)c5ncc(cn5)CCC)F	563
+CC(C)(C)OC(N1CC=C(CC1)c2cc3CC(Oc3cc2)(C4CCN(CC4)c5ncc(cn5)C6CC6)C)=O	563
+CC(C)(C)OC(N1CC=C(c2cnc(N)c(c2)-c3ncccn3)CC1)=O	1076
+CC1(C)c2ncc(C=3CCOCC=3)cc2N(c4c(C)c(nc5c4ccc(c5)F)-c6ccccn6)C1	1076
+c1cc(ccc1Oc2ccc(c3c2CCC3Oc4ccc5c(c4)OCC5CC(OC)=O)F)C=6CCOCC=6	563
+O=S(=O)(Cc1cc(C=2c3cc(-c4cnn(c4)C)ccc3C(N(C)C=2)=O)c(cc1F)OC)C	4417
+c1(C)ccc(c(C=C)n1)-c2oc(cn2)CC	2407
+Fc1c(OC)cc(OC)c(F)c1N2Cc3cnc(C=C)cc3N(C2=O)CC	2407
+O(C)c1c(C(=O)C)cc(Cl)c(C)c1C=C	8053
+c1cc2c(ccc(c2)C=C)c(c1OC)[N+]([O-])=O	2847
+c1cc(ccc1-c2oc3c(cc(c(N(c4cc(Cl)c(C=C)cc4)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	2847
+FC(F)(F)c1csc(-c2cc(NC(=O)NCC)ncc2-c3ccc4C(=O)C(=CN(CC)c4c3)C(=O)OCC)n1	391
+c1(c(-c2cc3ccccc3cn2)cc(N)cc1)C	362
+n1c(C)onc1-c2cc(NC(=O)c3cnc4ccc(cn34)-c5c(n[nH]c5C)C)c(C)cc2	1029
+CN(C)c1c(C#N)ccc(Oc2cc3COB(c3cc2)O)n1	2191
+O=S(=O)(C)CC1OB(O)c2cc(ccc12)OC3CCCC3	8054
+CC1(C)C(C)(C)OB(O1)c2ccc(NS(=O)(=O)C)cc2Cl	80
+O=S(=O)(NCc1cc(cnc1)-c2c(Cl)cc3N(C(=O)CCc3c2)C)CC	156
+FC(F)c1c(-c2ncnc(c2)OC)c(c(Cl)cc1)F	379
+Fc1cc(cc(F)c1-c2nc(C(OC)=O)ccc2F)-c3c(noc3C)C	245
+c1c-2c(CCc3nnc(C)n-23)cc(-c4cncc(C)c4OC)c1F	156
+c1(CO)c(c(cnc1)-c2cc3CCC(N(c3cc2F)C)=O)C	156
+Fc1cccc(F)c1-c2nc(cs2)C(OCC)=O	4213
+FC(F)(F)c1cc(-c2ncnc(C(F)(F)F)c2C)c(N)cc1OCCOC	379
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3cnc(N)c(c3)-c4cc5c(cn4)c(F)ccc5Br)cn2	2926
+CC(C)(C)OC(N1CCC(CC1)n2cc(cn2)-c3cc(-c4ncc5c(cccc5)c4F)c(N)nc3)=O	2926
+n1cc(cnc1Cl)-c2c(c(C=O)ccc2)CC	1207
+CC1(C)OB(OC1(C)C)c2c(C)c(ccc2)NC(=O)c3cc4CCCCc4s3	864
+CC1(C)OB(OC1(C)C)c2c(c(ccc2)N)C	0
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)C#Cc4ccc(OC)cc4C	8055
+CC(C)(C)C(=O)Nc1cc(F)ccc1-c2ncccc2	245
+Cc1ncc(N)nc1-c2ccc(Oc3nccc4c3cco4)cc2C	1368
+O=S(=O)(c1cc(c(-c2cc(Cl)ccc2C#N)cc1)OC)CC	99
+O=S(=O)(c1ccc(c(c1)OC)-c2cc(ccc2F)-c3c4c(nnc3)n(cn4)CC)CC	756
+O=S(=O)(c1ccc(-c2cc(ccc2F)Br)c(OC)c1)CC	756
+c1c(C)c(C(Nc2ncc(-c3cc(-c4cnn(C)c4)ccc3Cl)nc2)=O)cnc1	1368
+FC(F)(F)c1cc(C=O)c(-c2c(OC)ccc(CC(OCC)=O)c2)cc1	99
+c1cc(cc(-c2c(C=O)cc([N+]([O-])=O)cc2)c1OC)CC(OCC)=O	99
+c1cc(cc(-c2c(cc(cc2)F)C=O)c1OC)CC(OCC)=O	99
+FC(F)(F)c1cc(C=O)c(-c2c(OC)ccc(c2)CC(=O)OC)cc1	99
+c1cc(F)c2C(OB(O)c2c1OCC)C[N+](=O)[O-]	4388
+CC(C)NC(=O)c1c(c(-c2ccc(N)c(n2)C(=O)OC)c(cc1)F)F	245
+CC1(C)OB(OC1(C)C)c2c(CNc3ccccc3C)cccc2C	608
+n1c(c(cc(c1-c2c(cccc2)F)-c3c(cncc3)Cl)[N+]([O-])=O)N	1420
+FC(F)(F)c1c(cccn1)-c2ccc3n(cc(-c4ccc(c([N+](=O)[O-])c4)C)n3)n2	1633
+c1(ocnc1)-c2cc(ncc2)-c3c(C)ccnc3OC	1797
+CC(C)(C)[Si](C)(C)OC1CCc2c(-c3cnc(-c4cc(c(F)cc4)C#N)s3)cccc12	836
+[N-]=[N+]=NCc1c(-c2c3sc(cc3ccc2)-c4nc(ncc4F)NCCN5CCNC5=O)cc(nc1)F	8056
+c1cc(ccc1)S(=O)(=O)n2cc(c3cc(cnc23)OC)-c4cc(Cl)nc(Cl)c4	8057
+CC1(C)C(C)(C)OB(O1)c2c3ccccc3c(CO)cc2	49
+c12cc(-c3c[nH]nc3)ccc1cncc2	320
+c12n(c(nc(-c3cnn(C)c3)c1)-c4c[nH]nc4)ccn2	4420
+n1cc(-c2cc3OCCc4c(-c3cc2)sc(c4)C(N(c5c(Cl)cccc5)C)=O)c[nH]1	320
+C1CN(CCC1(c2ccc(cc2)Cl)c3ccc(cc3)-c4cn[nH]c4)C	320
+c1cc(ccc1-c2cn[nH]c2)C3(CCNCC3)c4ccc(cc4)Cl	320
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)-c3cn[nH]c3	320
+CC1(C)OB(OC1(C)C)c2cn(nc2)CCCOCc3ccccc3	338
+FC(F)(F)c1[nH]ncc1-c2cc(ncn2)N	2194
+N#Cc1c(c(F)ccc1)-c2cc(ccc2F)-c3cnnc(O)c3	8058
+C1COCCC1Oc2ccc(cc2C#N)-c3ccnc(Cl)n3	379
+CN(C)CCCNc1nc2ccc(cc2cn1)-c3c(ccc(C(NC4CC4)=O)c3)C	99
+C1CC1NC(=O)c2ccc(c(c2)-c3cc4cnnc(N5CC6COC(=O)N6CC5)c4cc3)C	4389
+c1cc(ccc1)-n2nc(C(OCC)=O)cc2NC(c3cc(-c4c(ccc(n4)CC#N)Cl)ccc3Cl)=O	362
+CC1(C)OB(OC1(C)C)c2cc(c(N)c(N)c2)C	0
+c1(cc(-c2c(nc(nc2CC)N)N)ccc1N)C	1207
+FC(F)(F)c1ccnc(Nc2cc(cc(C)c2)-c3cnc(cc3)C=CC(=O)OCC)n1	156
+FC(F)(F)c1cc(c(-c2c(OC)ccc(CC#N)c2)cc1)C=O	99
+CN(C)CCc1cc(-c2n(C)nc(C)c2C)ccc1OC	8059
+FC(F)(F)C(=C)c1cc(Cl)c(c(Cl)c1)C	2192
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)C(F)F)=C	2192
+CCC(NC1CCCc2c(cncc12)-c3cc(Cl)c4N(C(CCc4c3)=O)C)=O	156
+CC1(C)OB(OC1(C)C)c2cc(cc(Cl)c2)OS(=O)(=O)C	444
+c1ccccc1COC(=O)N2C(c3n4ccnc(N)c4c(-c5ccc(C(=O)Nc6ccccn6)c(F)c5)n3)CCC2	1729
+c1(cc(cc(F)c1-c2n(nc(C)c2C(=O)c3ccc(cc3Cl)F)C)O)F	8060
+O=S(=O)(NC1c2cncc(-c3cc(c4c(CCC(=O)N4C)c3)F)c2CCC1)CC	156
+CC1(C)OB(OC1(C)C)c2cc(cc(N)c2C)F	0
+c1cc(ccc1NC(=O)c2cc(c(nc2)N(CCO)C)-c3cc(cnc3)F)OC(F)(F)Cl	907
+c1ncc(cc1-c2cncc(c2N)[N+]([O-])=O)F	907
+CN1C(c2c(cc(-c3cnn(C)c3)cc2)C(c4c(F)ccc(N)c4)=C1)=O	4396
+FC(F)(F)c1cccc(C(=O)Nc2ccnc(-c3cc(N4CCCCC4)ccc3N)c2)c1	362
+CC1(C)OB(OC1(C)C)c2cc(N3CCCCC3)ccc2N	0
+C1CCCCN1c2cc(c(cc2)[N+](=O)[O-])-c3nccc(c3)C=O	362
+C1CCCCN1c2cc(-c3cc(Cl)ncn3)c(cc2)[N+](=O)[O-]	379
+O=S1(=O)N(c2c(ncc(-c3ccnc(NC(=O)C)c3)c2)C)CC(N(C)C)C1	1420
+CC(C)(C)c1cc(OC(C)C)cc(c1)-c2cc(nn2-c3ccc(cc3)C(=O)N)-c4ccc(cc4)C(=O)OC	1016
+OB(O)c1ccc(c(OC(F)F)c1)Cl	1050
+c1cc(ccc1)CN2N=C(c3cc(c(cc3)O)OC)c4c(cccc4)C2=O	8061
+C1C(CC1)Oc2cncc(-c3ccc4c(c3)c5c(cn4)N(C(N5c6cn(nc6C)C)=O)C)c2	391
+c1c(cc(-c2cc(OCC(O)CN3CCc4ccccc4C3)ccc2)c(c1)OC)Cl	99
+c1cc(ccc1OC)-c2cccc(c2)OCC(O)CN3CCc4c(C3)cccc4	99
+c1cc(ccc1)Cn2c3cc(-c4cccc(OCC(O)CN5CCc6c(C5)cccc6)c4)ccc3nc2	492
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4cc(ccc4)OCCCCl	8062
+C1CC1COc2c(C3=CN(C)C(=O)C(=C3)O)cc(S(=O)(=O)CC)cc2	8063
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)F)N	0
+CCOC(c1c(n(C2COCC2)nc1)-c3ccc(cc3[N+]([O-])=O)-c4c(cc(OCC)nc4C)C)=O	156
+c1ccccc1CSc2ccc3c(ncnc3-c4cc(C)c(cc4OC)Br)c2	379
+CC1(C)OB(OC1(C)C)c2ccc(F)c(c2)COc3ncc4c(CC5C(C(OCC)=O)C45)c3	1424
+O=S(=O)(C)c1c(cc(c(c1)F)F)-c2c([N+](=O)[O-])cc(cn2)Br	245
+CC1(C)C(C)(C)OB(O1)c2cc3c(c(C)c2)[nH]c(n3)N	2932
+FC(F)c1c2cn(nc2nc(-c3ccc(c(C#N)c3)N)c1)C	362
+c1cc(ccc1OC)Cc2cc(C(OC)=O)c(O)c(c2C)Cl	8064
+C1CC1c2c(cc(c(O)c2)C(=O)OC)Cc3ccc(cc3)-n4cccn4	8065
+C1CCCC(n2c3c(ccc(-c4c(CC)cc(OC)c(c4)F)c3)cn2)O1	492
+C1CC1COc2ccc(-c3cc(ncc3)Cl)cc2C#N	2336
+OB(O)c1cc(c(cc1)S(=O)(=O)C)F	1050
+FC(F)(F)C(c1c(F)c(Cl)c(c(c1)Cl)F)=C	2192
+c1cc(ccc1N2CCN(CC2)C3COC3)Nc4nc(ncn4)-c5cc(C#N)c(F)cc5	2079
+CC(C)(C)OC(=O)Nc1ccc(-c2cncc(C)n2)cc1Cl	1728
+CC(C)Oc1c(cc(-c2ncc(cn2)Br)cc1)C#N	2520
+CC(C)(O)COc1ccc(B(O)O)cc1OC	1050
+C[Si](C)(C)c1c(cc(cc1)-c2nc(C(OC)=O)c(c(c2F)N)OC)F	362
+O(C(=O)c1cc(-c2ccccn2)c(cc1Cl)Cl)C	245
+O(c1c(ccc(C(Nc2c(F)ccc(c2)C)=O)c1)F)c3cc(-c4[nH]cc(c4)C(=O)OC)ncc3	8066
+c1c(C#N)cc(cc1)-c2ccc3COB(c3c2)O	2191
+c1cc(ccc1)COc2cccc(Oc3ccc4c(c3)B(OC4)O)c2	2191
+O=S(=O)(c1cc(C=2c3c(C(=O)N(C)C=2)cncn3)c(F)cc1)C	8067
+FC(F)(F)c1cccc(CNC(=O)c2cc(-c3cc(ccc3[N+]([O-])=O)F)ncc2)c1	362
+c1ccccc1-c2c3c(NCc4ncccc4)nc(-c5cc(cnc5)-c6ocnc6)nc3ccc2	1323
+O=S(=O)(c1cncc(-c2nc3c(-c4cc5c(o4)cccc5)ccnc3cc2)c1)Nc6ccc(cc6F)F	8068
+N#Cc1cc(ccn1)-c2cc(nc(c2)C(=O)Nc3scc(C)n3)C	8069
+C1CC(CCO1)n2c3ccnc(OC)c3c(n2)-c4cc(sc4)C(=O)OC	4421
+CC(C)(C)n1c2ccnc(c2c(-c3cc(sc3)C(=O)OC)n1)OC	4421
+O=S(=O)(N)c1cccc(-c2cc3c(CCCC3=O)cc2)n1	245
+CC1(C)CCC(C)(C)c2cc(-c3nc(ccc3)N4CCC(CCC4)NCCCCO)ccc12	245
+c1cc(ccc1CCC(=O)O)-c2cc3c(N(C(C)CC3Nc4ncc(cc4)C#N)C(C)=O)cc2	99
+CN1C(c2c(C=C1)cc(cc2)-c3ncccc3)=O	245
+O=C1OCc2cc(ccc12)-c3c(c(c(OCC)cc3)OC)OCOC	99
+c1cc(ccc1CNc2c(Cl)c(c(-c3cc4CS(=O)(=O)N(C)c4cc3)cn2)N5CCC(C(O)C5)C#N)OC	156
+O=S1(=O)Cc2cc(ccc2N1C)-c3c4c(ccc(C(NC)=O)n4)cnc3	4422
+C1CC1NS(=O)(=O)c2ccc(cc2)-c3cc(-c4ccc5c(NCC(C)NC5=O)c4)c(nc3)N	156
+C1CC1NS(=O)(=O)c2ccc(cc2)-c3cc(-c4ccc5c(C(C)(C)CNC5=O)c4)c(N)nc3	156
+Cc1cc(ccc1)CC(N2CCc3c2ccc(-c4c5c(n(CC)n4)ncnc5N)c3)=O	918
+c1cc(ccc1)C(CNC(CO)=O)Nc2cncc(-c3ccc4c(c3)c(F)[nH]n4)c2	156
+FC(F)(F)C1=C(C(N(C(c2cc(-c3ccc4cc([nH]c4c3)C(=O)OCC)ccc2)=C1)Cc5c(cc(cc5)C)C)=O)C#N	803
+O=S(=O)(c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1)N	156
+C[Si](C)(C)CCOCn1c2c(nc1C)cc(-c3cc4c(ncnc4cc3)N5CCCc6ccccc56)cn2	8070
+CC(C)(C)OC(NC1CCCN(c2ccnc3c2cc(cc3)-c4nccc(OCc5ccccc5)n4)C1)=O	261
+c1c2c(cn[nH]2)cc(-c3c(nc(CC)[nH]3)-c4cc(c(cc4)F)C)c1	1715
+c1cc(ccc1-c2c(CC)c(cnc2N)-c3cc4c(cn(C)n4)cc3)O	8071
+c1c(ncc(-c2c(c(Cl)cc(C(C)O)c2OC)C)c1)C#N	391
+O(C)c1c(OC)ccc(-c2nn3c(-c4ccc(C#N)nc4)cnc3s2)c1	2921
+CC(C)(C)OC(NC(c1ccc(-c2nn3c(nnc3cc2)COc4ccnc5cc(OC)ccc45)cc1Cl)C)=O	746
+c1c(ncc(c1)-c2ccc(cn2)C#N)C(=O)OC	1797
+C1CCCCC1NC(C2(CC2)c3ccc(-c4ccc(C(NCC)=O)nc4)cc3F)=O	156
+O=S1(=O)CCC(=CC1)c2cc(C)c(cc2)-c3csc4ccc(CO)cc34	1402
+CC(C)(C)S(=O)(=O)Cc1cc(ccc1Cl)-c2ccc(cc2OCCCOC)CCC(OCC)=O	1049
+Cc1cc(cc(C)c1-c2ccc(F)c(COc3ncc4c(CC5C(C(OCC)=O)C45)c3)c2)OCC6(CCOCC6)F	99
+CN(C)CCn1cc(-c2cc(OC)c(N)cc2)cn1	2029
+c1cc(ccc1)[Si](c2ccccc2)(OCCn3cc(cn3)-c4cc(OC)c(N)cc4)C(C)(C)C	2029
+c12c(CC3C(CNC(C)=O)OC(=O)N13)cc(-c4ccc(nc4)N5C(=O)OCC5)cc2	391
+c1cc(ccc1S(=O)(=O)C)N2CC(c3nnc(C)n3-c4ccc(-c5ccc(O)nc5)cc24)C	391
+O=Cc1cc(-c2ccc(nc2)OCC)ccc1-c3c(ccc(CC(=O)OCC)c3)OC	391
+C(#N)c1ccccc1-c2c(ccc(-c3c4ccc(-c5nccs5)nc4ncc3)c2)F	4390
+C1CCN(C1)c2c(C#N)cc(cc2)-c3nc(Cl)ncc3	379
+O(c1cc(cc(OC)c1)CCc2nc3cc(-c4ccc(N5CCN(CC5)C)c(C#N)c4)[nH]c3nc2)C	8072
+n1cc(-c2cc(Cl)c(cc2)C#N)cc(N)c1	156
+FC(F)(F)c1cc(S(=O)(=O)NC)c(cc1)-c2cc(c(-c3cnc(nc3)N)cc2)F	99
+n1cc(cnc1N)-c2ccc(cc2F)-c3ccccc3Oc4ncc(N)cc4	99
+n1(c(-c2ccc(-c3c(C)cnc(OC)c3C)cc2F)c(cn1)C(=O)OCC)C4COCC4	4423
+c1ccccc1-c2nc(C3CN(CCO3)c4cc(nc(N)n4)-c5cc(c(C#N)cc5)F)[nH]c2	379
+CC(C)(C)OC(=O)NCc1c(F)cc(cc1)-c2cc(Cl)nc(c2)Cl	4423
+n1(ncc2c1cncc2-c3cc(c(N)cc3)F)CCOC	8073
+Cc1c(-c2csc(n2)Nc3c(ccc(-c4n(cnc4)C)c3)OC)sc(C)n1	1715
+c1cc(ccc1-n2cccn2)-c3ccc(cc3)-c4nc5c(NC(=O)C5)cc4Cl	245
+c1cc(ccc1C2(CC2)C(=O)OC)-c3ccc(cc3)-c4cnn(C)c4N	1122
+c1cc(ccc1-c2cnn(C)c2N)-c3ccc(cc3)C4(CC4)C(=O)OCC	1122
+c1cc(ccc1-c2c(cccn2)C(O)CCCc3ccccc3)-c4ccc(cc4)C5(CC5)CC(=O)OCC	245
+c1cc(ccc1-c2ccsc2C(O)CCCc3ccccc3)-c4ccc(cc4)C5(CC5)CC(=O)OCC	1402
+c1cc(ccc1-c2cncc3ccc(NS(=O)(=O)c4ccccc4)cc23)-c5cnn(C)c5	4397
+c1cc(ccc1CNC(=O)c2ccc3c(c(cnc3)-c4ccc(cc4)-c5cnn(C)c5)n2)OC	4422
+c1cc(ccc1-c2nc(Nc3nc(ccc3)C)sc2)-c4cnc(N(C)C)cc4	156
+c1ccccc1-c2nc(nc(-c3ccccc3)n2)-c4ccc(cc4)-c5nc(C)cc(C)n5	2079
+c1cc(ccc1-c2cnc3cnc(cn23)C(N(C)c4ccc(cc4)C#N)=O)-c5oc(nn5)NC	2193
+C1CC(CCN1C(=O)C2CC2)(O)CN3C(c4c(N=C3)n(-c5ccc(cc5)-c6cnc(cc6)N7CCC(C7)O)nc4)=O	156
+c1cc(ccc1-n2c3ncncc3cn2)O	8074
+O=S(=O)(C(CCN1C=C(F)C(c2ccc(cc2)-n3nccn3)=CC1=O)(C)C(OCC)=O)C	4424
+c1cc(ccc1C#N)-c2sc(Nc3cccc(c3)NS(=O)(=O)C)nc2	836
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(Nc3cc(ccn3)C(F)(F)F)=O	330
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(=O)Nc3nccc(C)c3	330
+c1cc(ccc1C(NC2CC2)=O)-c3cnc4c(SC)nc(C(N)=O)cn34	2193
+c1ccccc1COC(N2C(c3n4c(c(ncc4)N)c(n3)-c5ccc(cc5)C(=O)Nc6nccc(C)c6)CCC2)=O	1729
+c1ccccc1COC(N2C(c3n4c(c(ncc4)N)c(n3)-c5ccc(cc5)C(Nc6nccc(CC)c6)=O)CCC2)=O	1729
+c1cc(ccc1-c2c3ccccc3c(nn2)O)C(C)C(=O)OCC	746
+FC(F)(F)C(O)c1ccc(cc1)-c2ccc(cc2)C(C(=O)N)C	99
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)(C)CN	51
+CC(C)(CC1(CCN(C(O1)=O)C(C)c2ccc(cc2)-c3nnc(C)cc3)c4ccccc4)C#N	746
+CC(C)(CC1(CC(N(C(C)c2ccc(cc2)-c3ccc(O)nc3)CC1)=O)c4ccccc4)O	156
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)F)C#N	99
+c1cc(ccc1)C(N2c3c(ncc(-c4ccc(cc4)C(NCCN(C)C)=O)c3)NCC2)=O	1642
+FC(F)(F)c1n2CCC(c3nc(-c4ccc(cc4)C(=O)Nc5cc(ccn5)C(F)(F)F)c6n3ccnc6N)Cc2nn1	1729
+CC(C)(C)OC(=O)NNC(C1(CC1)c2ccc(cc2)-c3ncc(C#N)cc3)=O	362
+C1CC1(C(=O)OC)c2ccc(cc2)-c3ccc(c(OC)c3)-n4nnc(c4NC(OC(C)c5ccccc5)=O)C	99
+c1ccccc1C2C(C2)C(Nc3c(-c4ccc(cc4)-c5ccc(cc5)C6(CC6)C(=O)OCC)onc3C)C	99
+c1cc(ccc1)CCNC(=O)c2c(noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)C	99
+c1cc(ccc1F)C=CC(F)(F)C(O)c2c(C)noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC	99
+c1cc(ccc1C2(CC2)C(=O)OCC)-c3ccc(cc3)-c4onc(C)c4C(CC=C)O	99
+c1ccccc1C(C)CNCc2c(noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)C	99
+c1cc(ccc1C2(CC2)C(=O)OCC)-c3ccc(cc3)-c4c(NC(CCc5c(Cl)cccc5)C)c(no4)C	99
+c1ccccc1COC(Cc2c(C)noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)=O	99
+c1cc(ccc1-c2onc(C)c2C(O)c3cn(nn3)Cc4c(Cl)cccc4F)-c5ccc(cc5)C6(CC6)C(=O)OCC	99
+c1cc(ccc1-c2c(CCO)c(no2)C)-c3ccc(cc3)C4(CC4)C(=O)OCC	99
+c1cc(ccc1C2(CC2)C(OCC)=O)-c3ccc(cc3)Br	756
+c1cc(ccc1-c2ccc(cc2)C3(CC3)CC(OCC)=O)Br	756
+CC(C)(C)OC(=O)NC1(CC1)c2ccc(cc2)-c3c(-c4ccccc4)nc5-c6ccccc6Nc7ncccc7-n35	1715
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(-c4ccccc4)c5c(N=C(SC)N(C)C5=O)o3	8075
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3nc4n(cc3-c5ccccc5)nc6ccc(F)cc46	8076
+c1cc(ccc1C23CCC(CC2)(OC3)CC(OC)=O)-c4ncc(N)cc4	245
+c1cc(ccc1C=2N(C(c3cnn(-c4cc(ccc4)C#N)c3N=2)=O)c5ccc(cc5)Cl)-c6cnc(cc6)N	156
+c1cc(ccc1-c2ccc(cn2)Br)C3CCC(CC3)CC(=O)OC	245
+C1CC(CCC1CC(=O)OC)c2ccc(cc2)-c3cnc(nc3)Nc4cc(ccc4)F	1207
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3ccc(nc3)C#N)=O	156
+c1cc(ccc1C2=NOC(=O)N2)-c3n4c(nc3)ccc(NCCCC)n4	8077
+CC(C)(C)c1onc(NC(=O)Cc2ccc(cc2)-c3cnc(c(F)c3)N)c1	156
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3cc(C)c(cc3)C#N)C(=O)N)=O	99
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)-c4c(F)cncn4)=O	379
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)-c4cc(C)ncn4)=O	379
+c1cc(ccc1CC(=O)O)-c2nccnc2Cl	1728
+c1cc(ccc1CC(OCC)=O)-c2c(C)cc(cc2)-c3onc(C)c3NC(OC(c4c(F)cccc4)C)=O	99
+c1cc(ccc1CC(=O)OCC)-c2nnc(O)c3ccccc23	746
+c1cc(ccc1CCC#N)-c2c3c4c(scc4)c(O)nc3ccc2OC	492
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCC(S(=O)(=O)C)(C(=O)O)C	3
+c1cc(ccc1CCC(C(OCC)=O)(C)S(=O)(=O)C)B(O)O	1050
+c1ccccc1-c2ccc(cc2)CCC(C(=O)NOC3CCCCO3)(S(=O)(=O)C)C	99
+c1cc(ccc1CCN2CCOCC2)-c3cc(S(=O)(=O)n4ccc(C=CC(=O)NOC5OCCCC5)c4)ccc3	99
+c1cc(ccc1CN2CCN(CC2)C)-c3cc4c([nH]c(C)c4-c5csc(N)n5)nc3	156
+c1cc(ccc1Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC)B(O)O	1050
+C[Si](C)(C)CCOCn1nc(c2c1-c3cc(sc3C2)-c4ccc(cc4)F)-c5ccc(cc5)OC	3212
+CC(C)(C)OC(=O)NC1CN(CC1)C(=O)CN(C(C=Cc2ccccc2)=O)c3ccc(cc3)B(O)O	1050
+CC(C)(C)OC(N(c1ccc(cc1)-c2cn3c(nc(-c4cc(ccc4Cl)N)c3)nc2)C)=O	1207
+C1CN(CCN1c2ccc(cc2)-c3cc4c(nc3)[nH]c5cnc(cc45)CO)C	156
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)-c3c4c5c(scc5)c(O)nc4ccc3OC)=O	492
+CC(C)(C)OC(N1C2CC(=CC1CC2)c3ccc(cc3)N4CCN(CC4)S(=O)(=O)C)=O	2924
+C1CN(CCN1)c2ccc(cc2)-c3cccc4c3-c5nc(N)nc(-c6ccc(cc6)F)c5C4=O	1049
+c1(F)cccc(F)c1-n2nc(c3c(nccc23)OC)-c4ccc(cc4)N5CCOCC5	2925
+FC1(F)CCN(CC1)c2nc(C3C(C(=O)OC)CCCC3)c(-c4ccc(cc4)N5CCS(=O)(=O)CC5)s2	836
+c1cc(ccc1-c2ncc3N(C(=O)C4COCCN4c3n2)C5CCc6ccc(Cl)cc56)NC(=O)NC	261
+c1cc(ccc1NC(=O)NC2COC2)-c3nc(c4c(C(C)(C)OC4)n3)N5C(C)COCC5	261
+O=S(=O)(c1ccc(cc1-c2nc(N3C(C)COCC3)nc(-c4ccc(cc4)NC(NCCF)=O)c2)F)C	379
+c1cc(ccc1-c2nc(CO)cc(n2)N3C(C)COCC3)NC(=O)Nc4nocc4	261
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2nc(N3CCOCC3C)cc(n2)CS(=O)(=O)c4ccccc4	261
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2c(c3c(ncc(Cl)c3)[nH]2)-c4cncnc4	4425
+FC(F)(F)Oc1ccc(cc1)-n2nc(nc2)-c3ccc(cc3)NC(OC4C(C(OCC)C(C(O4)C)OC)OC)=O	8078
+c1ccccc1N2C(=O)C(=C(N2CC(C)(C)O)C)C(Nc3ccc(cc3)-c4cccc5c(nccc45)NCCN(C)C)=O	99
+C1CC1NC(Nc2ccc(cc2)-c3nc(CN(C)C)cc(N4C5COCC4CC5)n3)=O	261
+c1cc(ccc1-c2nccc(N3CCOCC3C)n2)NC(NCCO)=O	261
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3cnc(C#N)c(n3)Cl	1728
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3nc(Cl)c(nc3)C(=O)C	1728
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCC(OCC)=O	52
+c1cc(ccc1-c2ccc3c(c(ccc3)C(=O)OC)c2)O	1049
+c1cc(ccc1O)-c2cc3cnc(C(OC)=O)cc3cc2	1049
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3cccc(F)c3	472
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCc3c(onc3-c4c(cccc4Cl)Cl)C(C)C	1411
+c1cc(ccc1-c2nc(c3cccc(C#N)c3c2)O)O	362
+c1cc(ccc1O)-c2ccc3c(ccnc3c2)C(=O)OC	492
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCc3c(oc(C(=O)OC)c3)C	20
+c1cc(ccc1-c2ccc(OC)cc2[N+](=O)[O-])OC	99
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCO	44
+C1CC(CCC1OC2OCCCC2)COc3ccc(cc3)C4=CC(N(CCC(C)(S(=O)(=O)C)C(OCC)=O)C=C4F)=O	4424
+c1cc(ccc1OCCN2CCN(CC2)C)-c3cccc(S(=O)(=O)n4ccc(C=CC(=O)NOC5OCCCC5)c4)c3	99
+c1cc(ccc1-c2cc(c(N)nc2)OCc3c(Cl)cccc3Cl)OCCN4CCOCC4	156
+c1cc(ccc1-c2ccc(cc2CC)C(=O)O)OCCNC(C(O)c3ccc(cc3)O)C	99
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCOS(=O)(=O)C	7
+c1cc(ccc1-c2cncc(c2Nc3ccc4c(c3C)cc[nH]4)C#N)OCCOC	1642
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCNC(C(O)c3ccc(cc3)O)C	285
+n1cccnc1-c2ccc(cc2)OCc3c(oc(C(=O)OC)c3)C	8079
+c1cc(ccc1OCc2c(C(C)C)onc2-c3c(cccc3Cl)Cl)-c4ccc5nc(C)c(cc5c4)C(OCC)=O	99
+c1cc(ccc1OCc2ccccc2)C3=C(OC(C)(C)C3=O)c4ccc(cc4)C#N	8080
+FC(F)(F)c1cc(ccc1C#N)Oc2ccc(cc2)-c3nc(cc(C=C)n3)C(O)=O	261
+c1cc(ccc1F)Oc2ccc(cc2)-c3cc(cc(n3)NC(C)C(OC)=O)Cl	362
+c1cc(ccc1Oc2ccc(cc2)-c3nc(cc(N(S(=O)(=O)C)CC4COC(C)(C)O4)n3)C(=O)N)F	261
+C1C(C(CN1c2cc(nc(-c3ccc(cc3)Oc4ccc(cc4)F)n2)C(N)=O)O)O	261
+c1cc(ccc1Oc2ccc(cc2)-c3nc(C(=O)N)cc(n3)NCC(O)C(N)=O)F	261
+c1cc(ccc1-c2ncccc2)Oc3n(c4C(N(C(N(C)c4n3)=O)C)=O)Cc5cccc(OC)c5	245
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(O)(O)=O	1560
+c1cc(ccc1-c2[nH]c3c(cc(cn3)NC(=O)c4c(C)c(C)[nH]n4)c2)P(C)(C)=O	4425
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(=O)(O)OC	1560
+c1cc(ccc1S(=O)(=O)C2CCOCC2)-c3nc(c(nc3)N)C#Cc4cccc(c4)O	1368
+c1cc(ccc1S(=O)(=O)N)-c2nn(C3CCOCC3)c4ccnc(OC)c24	2925
+c1cc(ccc1-c2cn(C(COC)CC)c3ccnc(c23)OC)S(=O)(=O)N	8081
+c1cc(ccc1-c2cc3c(c(ncn3)Nc4cc(CC(=O)Nc5cccc(c5)F)[nH]n4)cc2)S(=O)(=O)N6CCC(F)C6	492
+C1CC1NS(=O)(=O)c2ccc(cc2)-c3cnc(N)cc3	156
+FC(F)(F)C(C)(O)c1cnc(nc1)-c2ccc(cc2)S(=O)(=O)c3ccc(N)nc3	261
+CC(C)(C)Sc1ccc(cc1)-c2c(OC)cc(-c3cc(ccc3OC)OC)c(OC)c2	99
+FC(F)(F)c1cccc(NC(c2cc(c(c(I)c2)C)-c3ccc(cc3)[N+](=O)[O-])=O)c1	4394
+C1C(CC1=O)(c2ccc(cc2)OCc3cc4c(-c5ccc(OCCOCC)cc5C)csc4cc3)CC(OCC)=O	1402
+n1ccc(-c2cnc(cc2)F)cc1NC(NCC)=O	4372
+n1cc(-c2cn3cc(OC)ccc3n2)ccc1F	8082
+C1CC(CCC1C(OCC)=O)Oc2ccc(cn2)-c3ncc(N)cc3	1797
+CC(C)(C)OC(=O)N1CCc2c(cc(cc2)-c3c(cccn3)OCc4cc(C)ccn4)CC1	245
+CC(C)(C)OC(N1CCc2cc(-c3c(C#N)c(F)ccc3)ccc12)=O	756
+c1cc(ccc1)-c2nc(-c3ccc4N(CCc4c3)C)c(C(CCC)C(=O)OC)c(C)n2	379
+Clc1ccc(c(Cl)c1)CCNc2nc(nc(-c3cc4CC(N(C)c4cc3)C(OCC)=O)c2)OC	379
+n1cc(c2CCCC(c2c1)N)-c3cc4CCC(N(c4cc3)C)=O	156
+n1cc(c2CCCC(O)c2c1)-c3cc4CCC(N(c4cc3)C)=O	156
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cncc(c3)NC(Cc4ccccc4)=O	156
+c1(Cl)cccc(Cl)c1COc2cc(-c3ccc4c(c3)cc(C(=O)OCC)[nH]4)cnc2N	156
+c1cc(ccc1N2C(=NNC2=O)CC3CCN(C3)C(=O)C4CC4)-c5ccc6occc6c5	99
+O=S(=O)(C)Cc1nc(-c2cc3c(n(S(=O)(=O)c4ccc(cc4)C)nc3C)cc2)nc(N5CCOCC5)c1	261
+c1cc(ccc1)-n2c3c(ccc(c3)-c4cc5c(oc(-c6ccc(cc6)F)c5C(NC)=O)cc4N7CCCC7=O)nc2	803
+c1n(c2c(cc(cn2)-c3ccoc3)n1)-c4cccc(-c5c(scc5)C#N)c4	1402
+c1c(F)c(c(cc1)F)N2C(C=Cc3c2nc(NCCCN(CC)CC)nc3-c4cccc(C(O)=O)c4)=O	379
+FC(F)(F)c1cc(-c2nc(CN3CCC(F)(F)CC3)c4ccccn24)ccc1	8083
+c1cnccc1-c2c(cn(CC)n2)-c3cccc(N)c3	1122
+c1(n(nc(c1)NC2=CC(c3cccc(c3COC(=O)C)N4CCc5c6c(sc5C4=O)CCCC6)=CN(C)C2=O)C)COC	4426
+CC1(C)C(C)(C)OB(O1)c2cccc(c2C)N3C(C=C4C(Cl)=CC=CN4C3=O)=O	8084
+CC1(C)OB(OC1(C)C)c2c(CC)c(OCCCC(=O)OCC)ccc2	8
+CC(C)c1cccc(C(C)C)c1-n2c3ccccc3nc2-c4cc(-c5ccc6oc7cccc(OC)c7c6n5)ccc4	1592
+FC(F)(F)COCc1cccc(-c2n(nc(N)c2)-c3ccccc3)c1	1016
+FC(F)(F)COCc1cccc(c1)-c2cc(N)nn2-c3ccc(cc3)F	1016
+C1CN(CCC1=O)c2cccc(-c3ccnc(Cl)n3)c2	379
+c1cc(ccc1-c2cccc(c2)NC)CC(OCc3ccccc3)C(=O)OC	99
+O=S(=O)(c1ccc(cc1)C)Nc2cccc(-c3nn4c(nc(c4)NC(C)=O)cc3)c2	746
+c1(cccc(F)c1N2C(=O)C=Cc3c2nc(nc3-c4c(C)c(C(=O)O)ccc4)NCCCN(CC)CC)F	379
+CC(C)(C)c1ccc(cc1)C(Nc2c(c(ccc2)C=3N=C(Nc4ccc(cc4)CCO)C(N(C=3)C)=O)C)=O	8085
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2C)C3=CN(C(=O)C(=C3)Nc4ccc(cc4)C(OCC)=O)C	4426
+FC(F)(F)C1(Cc2cc(-c3cccc(c3F)[N+]([O-])=O)ccc2O1)c4cc(Cl)cc(Cl)c4	756
+Clc1cccc(c1)-c2c3c([nH]cc3)ccc2	803
+c1cc(F)cc(-c2c3c([nH]cc3)ccc2)c1	803
+c12c(N)cc(-c3c4cc[nH]c4ccc3)cc1n[nH]c2	4427
+c1cc(ccc1Cl)-c2cccc3[nH]ccc23	803
+c1cc(ccc1-c2c3cc[nH]c3ccc2)F	803
+c1cc(ccc1S(=O)(=O)n2ncc3c2cc(-c4c5c(ccc4)[nH]cc5)cc3-c6oc(CN7CCOCC7)nn6)C	4427
+COc1c(c(c(Cl)cc1C(C)O)C)-c2cc(C#N)ncc2	1802
+O=S(=O)(N1CCN(CC1)Cc2cc3c(o2)C(c4cc(ncc4)NC(c5ccccc5)C)=CN(C)C3=O)C	2710
+FC(F)(F)c1ccc(cc1)-c2cnc3ccc(-c4n(ncc4)-c5ccc(cc5)Cl)cn23	2928
+FC(F)(F)C1(c2c(-c3c(-c4cnn(C(C)(C)C(OCC)=O)c4)cc(cc13)OCC(C)O)cccc2)O	8086
+c1cc(ccc1)COC(=O)N2CC(CC2)Cn3c4c(cc3)cc(-c5cnn(C6CCCCO6)c5)cc4	320
+c1cc(ccc1C)S(=O)(=O)n2ccc3nc(-c4cn(nc4)C5CCCCO5)ccc23	4428
+c1cc(ccc1)COCC(F)(F)Cn2cc(cn2)-c3ccc(N)c(C(=O)NC)n3	1864
+c12cnc(-c3cnn(c3)CCC4CCCCN4C)cc1c5cc(cnc5[nH]2)OC	2933
+c1cc(ccc1C)S(=O)(=O)n2c3ncc(F)cc3c(-c4nc(c(cn4)F)SC)c2	1344
+CC(C)(C)OC(n1ncc(C=2c3cc(OC)c(cc3C(N(CC)C=2)=O)OC)c1)=O	8087
+CC(C)(C)OC(n1ncc(c1)-c2cccc(C(=O)OC)n2)=O	1864
+CC(C)(C)OC(=O)n1cc(-c2ccc3c(CCC(C)N3C(C4CC4)=O)c2Oc5ccccc5)cn1	320
+CC(C)(C)OC(N1CC(C1)(CCF)n2cc(cn2)-c3nc(-c4cnn(C)c4)cc5nccn35)=O	4420
+CC(C)(Cn1cc(-c2cn3ncc(c(c3c2)NC4CN(c5ccc(cn5)C#N)CC4C)C(=O)N)cn1)O	8088
+c1cc(ccn1)Cn2ncnc2-c3sc4CCOc5c(-c4n3)ccc(c5)-c6cn(nc6)CC(C)(C)O	320
+CC(C)(Cn1cc(-c2ccnc(Cl)n2)cn1)O	2194
+C(C)N(CC)C(=O)c1cc(ccc1N)-c2cn(CCCO)nc2	320
+CC1(C)OB(OC1(C)C)c2cn(nc2)CCCO	118
+c1nc(C)c(cc1-c2cc3c(cc2)ncc4N(C)C(=O)N(c34)c5cn(C)nc5C)N(CC)C	391
+ClC(Cl)C(NC(C(O)c1ccc(cc1)-c2ccc(CCC#N)nc2)CF)=O	4429
+FC(F)Oc1cccc(c1)S(=O)(=O)Nc2c(ncc(c2)-c3nn4c(nc(c4)NC(C)=O)cc3)Cl	1633
+C1CN(CCN1C)c2ncc(-c3cnc4NCCN(c4c3)S(=O)(=O)c5c(cccc5)Cl)cc2	2711
+CC(C)c1onc(N2CCN(CC2)c3ncc(-c4ccc(N5C(N(C)N=C5)=O)c(c4)F)cc3C#N)n1	391
+c1cc(ccc1C2CCC(c3ccc(cc3)[N+]([O-])=O)N2c4ccc(cc4)-c5ccc(N6CCOCC6)nc5)[N+]([O-])=O	391
+CC1(C)OB(OC1(C)C)C=2C=CC(N(C)C=2)=O	8089
+O=S(=O)(c1nc(cc(n1)-c2cnc(N)c(Cc3ccccn3)c2)N4C5CC(C4)OC5)C	2788
+Cn1nnc(n1)-c2ncc(-c3cc4c(cc3)N5C(C4)C(CNC(C)=O)OC5=O)cc2	391
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(-c3cnc(nc3)N)cn2	3905
+CC(C)(C)OC(N1CCN(CC1)c2ncc(-c3nc(OC(C4CNC(=O)C4)C)c5c(c3)ncn5C)cc2)=O	4401
+O(c1ccnc(-c2oc(nc2)C)c1)c3cnc(cc3)[N+]([O-])=O	8090
+CN(C)C(Cc1cc(cnc1)-c2cnc3N(C(=O)N)CCCc3c2)=O	907
+C1CCCC(n2cc(-c3nc(SC)ncc3)c(-c4cc5cc[nH]c5nc4)n2)O1	8091
+c1(C(NCC)=O)ncc(-c2cc3cc[nH]c3nc2)cc1	907
+CC1(C)OCC(CO1)c2cc(cnc2)-c3nc4cccc(-c5ccccc5)c4c(NCc6ncccc6)n3	1323
+O=S(=O)(c1ccccc1)Nc2cncc(-c3ccc4c(c(Oc5cnccc5)ncn4)n3)c2	3718
+O=S(=O)(c1cc(cnc1)-c2c(c(C(=O)C)cc(Cl)c2F)O)C	4429
+CC(C)(C)NS(=O)(=O)c1cncc(-c2c3c(c(ccc3)-c4ccccc4)c(Cl)nn2)c1	1633
+CC(C)(C)OC(=O)N1CCC(CC1)(Cn2cc(cn2)-c3cnc(c(OC(C)c4c(ccc(F)c4Cl)Cl)c3)N)O	8092
+CC(C)(C)OC(=O)NCCCCCn1ncc(-c2ncc3[nH]c4ncc(OC)cc4c3c2)c1	2933
+n1n(cc(-c2cc3c(cc2)N(C(C)CC3N)C(=O)C)c1)CCOC	320
+c1ccccc1COC(=O)NC2c3cc(-c4cn(nc4)CCOC)ccc3N(C(=O)C)C(C2C)C5CC5	320
+O=S(=O)(C1CC1)n2cc(cn2)-c3nc(N)ccn3	8093
+CN(C)CCNC(=O)Cn1cc(-c2ncc3[nH]c4ncc(OC)cc4c3c2)cn1	2933
+CC1(C)OB(OC1(C)C)c2cnn(c2)CC(=O)NCCN(C)C	271
+C1C(CC1)(Cn2ncc(c2)-c3nc4c(cc3)cnc(c4)Br)O	4428
+c1(C)c(n(C)nc1)-c2cc(C(=O)OC)sc2Cl	1730
+c1cc(ccc1)-n2c(C=3C(=O)C(OC)=CN(Cc4ccccc4)N=3)ccn2	8094
+CC1(C)Cc2ccc(cc2B(O)O1)[N+](=O)[O-]	8095
+CC1(C)c2c(cc(cc2)C=O)B(O)O1	2196
+CC1(C)OC(C(O1)=O)=CC(=O)N(OC)Cc2cc(c(cc2)C)F	2934
+CC1(C)OC(C(O1)=O)=CC(=O)N(OC)Cc2cc(F)ccc2	2934
+c1cc(ccc1F)CN(C(C=C2OC(C)(C)OC2=O)=O)OC	2934
+c1cc(c2nccc(c2c1OC)O)Br	2197
+C(C(CCCCCCCCC)=O)C(=O)OCC	8096
+c12cc(OC)cc(OC)c1c(O)ccn2	2197
+c1cc(ccc1)Oc2c3ccc(OC)cc3ncc2	8097
+c1ccccc1COc2cc3nccc(O)c3cc2	2197
+c1[nH]c2c(c1CCC(OCC)=O)c(C)c(cc2)[N+]([O-])=O	2198
+CC1(C)OC(=O)Nc2c1cc(-c3n(c(cc3)C#N)CC(NCCc4ccc(OC)c(OCC)c4)=O)cc2	9
+CC1(C)OC(=S)Nc2ccc(cc12)Br	4430
+O=S(=O)(C)ON=C(C1C(C)(C)OC(C)(C)O1)Cl	8098
+c1cc(ccc1C(=O)NCC(O)C2COC(C)(C)O2)S(=O)(=O)Nc3c(F)cc(cc3F)F	14
+O=C(C(CC(=O)N(Cc1cccc(F)c1)OC)=O)OC	2935
+C1CC1c2ccc(Br)cc2C3OC34C(=O)C(C)(C)OC4(C)C	3778
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(-c3ccc(cc3Cl)Cl)ccc2C4CC4	3781
+c1c(C)nn(CC(c2c(O)cc(nc2C)C)=O)c1C	8099
+CC(C)(c1ccc(cc1)O)c2ccc(cc2)OCC3OC(C)(C)OC3	72
+CC1(C)OCC(Cn2c(COCC)nc3cnc4cc(Br)ccc4c23)O1	546
+CC1(C)OCC(CCOc2c([N+](=O)[O-])c(Nc3ccc(I)cc3F)cc(F)c2)O1	57
+CC1(C)OC(CO1)CN2C=C(C(c3c2sc(c3)CCl)=O)C(NCc4ccc(cc4)Cl)=O	1732
+CC1(C)OC(CO1)CN2c3c(C(C(C(NCc4ccc(cc4)Cl)=O)=C2)=O)cc(CN(CC(c5ncccc5)O)C)s3	822
+c1cc(ccc1Cl)CNC(=O)C2=CN(c3c(C2=O)cc(CN(CC(c4ncccc4)O)C)s3)CC(O)CO	265
+CC1(C)OC(CNc2c(cnc3cc(ccc23)Br)N)CO1	13
+c1c(I)cc(c(Nc2c(c3c(ocn3)cc2C(NOCC(CO)O)=O)F)c1)F	265
+c1c(I)cc(c(Nc2c(F)c3nnsc3cc2C(NOCC(CO)O)=O)c1)F	265
+c1cc(c(F)c(Nc2ccc(I)cc2F)c1C(=O)NOCC(CO)O)F	265
+C(c1c(cccc1)OC)C(CO)O	265
+CC1(C)OC(Cn2c(C)c(I)cn2)CO1	8100
+CC(C)CC(C(Nc1nn(cc1)CC(CO)O)=O)N2CC(=CC2=O)Oc3cccc4c3cccc4	265
+CC1(C)OC(COc2ccn3c(ncc3C(OCC)=O)c2)CO1	2936
+c1ccc(c2c(C)nn(Cc3cccc(C)n3)c12)NC(c4cnc5cc(ccn45)OCC(CO)O)=O	265
+CC1(C)OC(COc2cc3ncc(C(Nc4c5c(ccc4)n(nc5C)Cc6cccc(C)n6)=O)n3cc2)CO1	466
+CC1(C)OC(COc2ccn3c(c2)ncc3C(=O)O)CO1	6
+c1cc(ccc1)Cc2cnc(nc2)N3CCN(CC3)c4nc(ncn4)Nc5cnn(c5)CC6COC(C)(C)O6	4170
+CC1(C)OC(Cn2ncc(N)c2)CO1	209
+c1ccccc1C2C(C)(C)OC(N2c3ccc(cc3)N4C(C=CC(c5ncccn5)=C4)=O)=O	8101
+CC1(C)c2c(ccc(-c3cc(cc(C#N)c3)F)c2)NC(O1)=O	160
+CC(C)(CCCC1(C(C1)CO)C)O	3636
+FC(F)(F)c1c(ccc(NC(NCCCN(CC2C3C(C(n4c5ncnc(c5nc4)N)O2)OC(C)(C)O3)C(C)C)=O)c1)Cl	282
+CC1(C)OC2C(C(OC2CN(C(C)C)CCCN)n3c4ncnc(c4nc3)N)O1	45
+CC1(C)OC2C(C(n3cnc4c(N)ncnc34)OC2CN(C)CCC(C)(C)N)O1	102
+CC1(C)N(C2C(O1)CCCC2)c3sc4c(n3)ccc(CN)c4	107
+CC1(C)OC2CCCCC2N1c3nc4ccc(cc4s3)CNc5c(c(Cl)ncn5)N	193
+CC1(C)OC2CCCCC2N1c3nc4ccc(CNc5ncncc5N)cc4s3	511
+c1(F)cc(cc(F)c1C2=CCN(CC2)C(=O)C3OC(C)(C)OC3)N4CC(OC4=O)COC(C)=O	2046
+CC(C)CC1N(C(c2cc(-c3ccc(cc3)Cl)c(Cl)nc2)=O)C(C)(C)OC1	89
+CC1(C)OCC(CCN)O1	18
+CC1(C)CNC(CO1)CCO	25
+c1ccccc1-c2cccc3nc(-c4cncc(C(CO)CO)c4)nc(NCc5ncccc5)c23	1192
+OCC(CO)c1ccc(cc1)Oc2ncnc(c2C)OC3CCN(CC3)c4ncccn4	1192
+CC1(C)OCC(COCCCN)O1	51
+c1cc(ccc1Br)OCc2csc3c(cnc(N)c23)C(NCCCOCC4COC(C)(C)O4)=O	8102
+FC(F)(F)c1c(cccc1)-c2nc3c(cccc3C(=O)Nc4cccc(c4)OCC5COC(C)(C)O5)[nH]2	246
+N1c2cc(c(OC)cc2CCC1=O)CC(CO)O	265
+CC1(C)OC(Cn2c3c4c(cc(Br)cc4)nc(N)c3nc2COCC)CO1	461
+CC(C)(CO)c1n(c2cc(F)c(cc2c1)NC(=O)C3(CC3)c4cc5OC(F)(F)Oc5cc4)CC6OC(C)(C)OC6	33
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC4OC(C)(C)OC4)n3	142
+O=S(=O)(OCCCC1OC(C)(C)OC1)C	7
+CC1(C)OC(CO1)CONC(=O)c2cc3snnc3c(F)c2Nc4c(F)cc(I)cc4	514
+CC1(C)OC(CO1)CONC(=O)c2c(Nc3c(F)cc(I)cc3)c(c4c(ocn4)c2)F	514
+CC1(C)OC(CO1)CONC(=O)C2=C3CCCN3C(=O)C(Cl)=C2Nc4ccc(cc4F)I	8103
+CC1(C)OC(CO1)CONC(c2c(c(F)c(F)cc2)Nc3c(F)cc(I)cc3)=O	514
+CC1(C)OCC(COc2cccc(c2)N)O1	0
+CC1(C)OCC(Cn2c3cc(F)c(cc3cc2C(C)(C)CO)N)O1	0
+CC1(C)OCC(Cn2ccc(N)n2)O1	161
+CC1(C)COC(CO1)CNc2nc(ccc2F)F	182
+FC(F)(F)c1cccc2C(N(Cc12)C(CC3CCCC3)C(=O)Nc4cnc(C5OC(C)(C)OC5)cn4)=O	1018
+FC(F)(F)c1cccc2c1CN(C(CCSC)C(=O)Nc3ncc(C4OC(C)(C)OC4)nc3)C2=O	1018
+CC1(C)OCCC(C=O)C1	24
+CC1(C)OCCC(CNc2cc(c(nc2)Cl)Br)C1	839
+CC1(C)CC(CNc2cnc(c(-c3cc(ncc3Cl)F)c2)Cl)CCO1	3218
+CC1(C)C=2N(C(C(OCc3ccccc3)=C(C(=O)OCC)N=2)=O)CCO1	3850
+c1ccccc1COc2c3c(COC(C)(C)O3)cc(F)c2	22
+C1CCN(C1)c2nc3sc4c(c3c5c2COC(C)(C)C5)ncnc4O	8104
+O=S(=O)(OCCOCCCCCCN1CC(OC1=O)c2cc3c(cc2)OC(C)(C)OC3)C	7
+Clc1cccc(Cl)c1COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4	149
+c1cc(ccc1Br)COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4	149
+CC1(C)Oc2cccc(CCOS(=O)(=O)C)c2CO1	7
+CC1(C)OCc2c(nc(nc12)Cl)N3CCOCC3C	54
+CC1(C)Oc2c(CO1)cc(C(CNCCCCCCOCCCCc3cc(ccc3)NC(=O)Nc4ccccc4)O)cc2	132
+CC1(C)ON=C(c2cnc(SC)c(Cl)c2)C1	1272
+CC1(C)C=C(C(C)C)c2cc(C(=O)C)c(OCC)cc2O1	116
+CC1(C)CC(c2c(cc(cc2O1)C(C)(C)CCCCCC)OCc3ccccc3)C(=O)O	4431
+c1cc(ccc1C#Cc2ccc(cc2)C(=O)N(Cc3cc4C(OC(C)(C)Oc4cc3)=O)CCCCCC)CCCC	30
+CC1(C)Cc2c(O1)c(C(OCC)=O)cc(N)c2	0
+CC1(C)Cc2c(c(C)c(C)c(N3CCN(CC3)c4ccc(cc4)SC)c2C)O1	79
+CC1(C)Oc2c(c(c3oc(CC)cc3c2)CCl)C1	8105
+c1c(OC)c(c(cc1CC(c2ccc3OC(C)(C)C=Cc3c2)=O)OC)OCc4ccccc4	8106
+CC1(C)C=Cc2cc(OC)c([N+](=O)[O-])cc2O1	77
+CC1(C)C(C)=Cc2cc(Sc3cccc(c3)OC)ccc2O1	1336
+CC1(C)Oc2c(cc(cc2)F)CC1CCO	44
+CC1(C)Cc2c(c(C)c(c(Cl)c2O1)C=O)C	582
+CC1(C)Oc2c(ccc(Cl)c2C1)N=C=O	1044
+CC1(C)C(c2c(c(ccc2Cl)N=C=O)O1)=S	1044
+CC1(C)Oc2c(NC1)cc(c(F)c2)Br	15
+CC1(C)Oc2c(O1)ccc(c2)CN	817
+CC1(C)Cc2cc(C=C(C)C)cc(c2O1)OC	8107
+FC(F)(F)c1ccc(cc1)C(O)c2c(c3C(CC(C)(C)Oc3cc2C(C)C)=O)C4=CCCCC4	704
+C1CN(CCC1C(=O)OCC)CCc2c(c(ccc2)O)CO	2937
+CC1(C)Oc2cc(cc(c2C=3CN(C(OC)=N)CCC1=3)OC)C(C)C(C)CCCCC	2641
+FC(F)(F)c1cccc(C2(CC2)NC(=O)c3c4OC(C)(C)Cc4c5c(nc(Nc6c(cccc6C)Cl)[nH]5)c3)c1	14
+FC(F)(F)c1ccc(NC(c2c3c(c4c(c2)[nH]c(n4)Nc5c(cccc5Cl)C)CC(C)(C)O3)=O)nc1	8108
+CC1(C)Cc2cc(cc(C(O)=O)c2O1)-n3nnnc3	6
+CC1(C)Cc2c(ccc(C3=C(CC)N=C(CCC)N(Cc4ccc(cc4)-c5c(C#N)cccc5)C3=O)c2)O1	1100
+CN(C)C=1N(c2ccc3OC(C)(C)Cc3c2)C(C(Cc4ccc(cc4)-c5ccccc5C#N)=C(N=1)CCC)=O	8109
+C[Si](C)(C)C#Cc1cc2C(C)(C)CC(C)(C)Oc2c(C=O)c1	263
+c1cc(ccc1CN(C)C2CCOCC2)NC(C3=Cc4c(S(=O)(=O)CC3)ccc(c4)-c5ccc6OC(C)(C)CCc6c5)=O	750
+CC1(C)Oc2cc(c(Br)cc2C(=O)C1)OCC	116
+CC1(C)Oc2c(cc(cc2)F)CC1CCOS(=O)(=O)c3ccc(cc3)C	36
+CC1(C)Oc2ccc(F)cc2CC1CCN=[N+]=[N-]	254
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c3c(CC(C)(C)O3)c(cc2)Cl	8110
+CC1(C)Oc2c(C(OCC)=O)cc([N+]([O-])=O)cc2C1	31
+CC1(C)Oc2c(cccc2N)C1=S	0
+CC1(C)Oc2c(N)ccc(c2C1=S)Cl	196
+CC1(C)Oc2c(c(cc(c2)C(C)C(C)CCCCC)OC)C=3CN(C#N)CCC1=3	65
+CC1(C)CC(=O)c2cc(c(c(c2O1)Cl)OCC)Br	662
+CC1(C)OC(=O)c2ccc(cc2O1)Oc3c(cc(cc3)C=O)F	46
+CC1(C)Oc2c(O1)ccc(C=NO)c2	135
+CC1(C)Oc2ccc(F)cc2CC1CCN	18
+c1cc(ccc1C#Cc2ccc(cc2)OC)CNc3ccc4OC(C)(C)OC(=O)c4c3	208
+CC1(C)C(c2ccc(Br)cc2S1(=O)=O)O	74
+CC1(C)c2c(cc(C(C)=O)c(c2Br)OC)CCC1	65
+CC1(C)C(CC=CC)C(=O)c2c1ccc(CC)c2	4432
+CC1(C)c2c(C(C1)N)cccc2	474
+CC1(C)c2ccc([N+](=O)[O-])cc2C(=O)C1	77
+CC1(C)c2cccc(c2C(=O)N1C)N	0
+CC1(C)c2cc(C)cc(OC)c2C(C)(C)CC1	297
+CC1(C)CC(CC)C(C)(C)c2cc(C)c(C(C)=O)cc12	94
+CC1(C)c2c(C(C1)NS(=O)(=O)C)cccc2	111
+C1N(CC1Nc2cncc(N3C(c4c(cc(cc4)Cl)C3(C)C)=O)c2)C(C)=O	58
+CC1(C)CCc2c1cc(c(OC)c2)C=O	151
+CC1(C)c2c(S(=O)(=O)CC1)c(cc(c2Cl)C(C)=O)Cl	902
+CC1(C)CCSc2c(cc(c(Cl)c12)C(C)=O)C	94
+CC1(C)c2c(N(CC)C1=O)cc(c(c2)N)N	0
+CC(C)n1c(N)nc2cc3N(CCCCC)C(C(C)(C)c3cc12)=O	4039
+CCc1cccc(CC)c1NC(N2Cc3c(-c4nc5cc6C(C)(C)C(=O)N(c6cc5[nH]4)CC)[nH]nc3C2)=O	4200
+CC1(C)C(=O)N(c2cc3[nH]c(nc3cc12)N)CC	2932
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4[nH]nc5c4cc(C(=O)O)cc5)[nH]3)CC	567
+CC1(C)c2c(N(CC)C1=O)cc(c(c2)N)N	0
+CC1(C)C(=Nc2c1cc(cc2)O)C	477
+c1ccccc1S(=O)(=O)Nc2cc(C3CC(C)(C)c4c(N3)ccc(Cl)c4)ccc2	69
+CC1(C)CNc2cc(cnc12)Br	15
+CC1(C)CNc2c1cnc(c2)Cl	15
+c1ccccc1COC(NC(C(N2c3c(cccc3)C(C)(C)C2C(NCCCC)=O)=O)CC)=O	8111
+C[Si](C)(C)C#Cc1ccc2c(C(C)(C)CC(O2)=O)c1	263
+CC1(C)CCS(=O)(=O)c2c1c(c(cc2Cl)C(=O)O)Cl	2199
+CC1(C)c2c(c(cc(c2)N)C)NC(C1)=O	0
+CC1(C)c2c(CO1)c(nc(-c3ccc(cc3)Br)n2)Cl	64
+C[Si](C)(C)C#Cc1cc2C(C)(C)CCC(=O)c2c(c1)O	263
+CC1(C)CC=C(C(C)C)c2c1cc(C)c(Br)c2	252
+O=S(=O)(OCCN1C(c2cc(Br)sc2C1(C)C)=O)C	7
+c1cc(ccc1C(F)(F)C(OCC)=O)NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C	4433
+CC1(C)c2c(Br)c(OC)c(C(C)O)cc2CCC1	74
+CC1(C)c2ccc(CN)cc2B(O)O1	817
+CC1(C)OB(O)c2c1cc(c(F)c2)C=O	2196
+CC1(C)CCc2cc(c(cc12)F)O	5
+CC1(C)c2cc3c(cc2C(C)(C)C1(C)C)[nH]cn3	8112
+c1cc(ccc1NC(c2ccc3c(c2)C(C)(C)CCC3(C)C)=O)C(Nc4c(N)cccc4)=O	67
+CC1(C)c2c(cc(cc2)C(=O)Nc3ccc(cc3)C(O)=O)C(C)(C)CC1	1
+CC1(C)c2c(cc(C=NO)cc2)B(O)O1	135
+CC1(C)C(N(C)c2cc(ccc12)OC)=O	239
+CC1(C)c2c(cc3[nH]c(SCc4ccccn4)nc3c2)C(C)(C)CC1	602
+CC1(C)c2c(ccc(-c3cc(cc(C#N)c3)F)c2)NC(=S)O1	4430
+CC1(C)COc2ccc(cc12)C=O	146
+FC(F)(F)C1(CC(=NO1)c2ccc3c(C(C)(C)OB3O)c2)c4c(c(c(c(c4)Cl)F)Cl)F	1423
+FC(F)(F)C1(c2c(c(Cl)c(c(Cl)c2)Cl)Cl)CC(=NO1)c3cc4C(C)(C)OB(c4cc3)O	1423
+FC(F)(F)C1(CC(c2ccc3c(C(C)(C)OB3O)c2)=NO1)c4cc(Cl)c(c(c4)Cl)C(F)F	1423
+CC1(C)C(CC(C)(C)c2ccc(C)cc12)CCCl	221
+CC1(C)CCC(C)(C)c2c1cc(C(=O)CC)c(O)c2	94
+FC(F)(F)S(=O)(=O)Oc1ccc2c(C(C)(C)CC2=O)c1	376
+CC1(C)c2c(N=C1C)ccc(N)c2	0
+CC1(C)c2c(Cl)c(C(C)=O)cc(Cl)c2SCC1	94
+CC1(C)c2cc(ccc2-c3ccccc13)-c4cc(-c5cccc6c7c(cccc7)sc56)cc(c4)Cl	8113
+c1cc(ccc1C#Cc2cc3c(c(c2)OC(C)C)C(CCC3(C)C)=O)CC(=O)OC	129
+O=S(=O)(NC(c1ccc2c(C(C)(C)CC(N2)c3cc(C#N)ccc3)c1)=O)C	258
+CC1(C)CCC(C)(C)c2c(OC)c(c(cc12)C)C=O	502
+CC1(C)c2cc(C=O)cc(OCCOCC)c2C(C)(C)CC1	8
+CC1(C)CCC(Nc2ccc(cc12)Nc3nc(c(Cl)cn3)Nc4c(ccc([N+](=O)[O-])c4)C(=O)NC)=O	55
+CC1(C)c2c(ccc(O)c2)C(C1)=O	5
+CC1(C)CCC(C)(C)c2cc(c([N+](=O)[O-])cc12)N	0
+CC1(C)C(C)(C)C(C)(C)c2cc([N+](=O)[O-])c(N)cc12	0
+CC1(C)c2c(C(C)(C)CC1)cc(c(c2)C)-c3nc(ccc3OC)C=O	119
+CC1(C)c2cc(c(C=Cc3ccc(cc3)C(=O)O)cc2C(C)(C)CC1=O)Cn4nccc4	8114
+CC1(C)OB(O)c2c1cc(C(=NO)Cl)c(F)c2	761
+CC1(C)CCC(C)(C)c2c1cc(OCOC)c(C(CC)=C(C(OCC)=O)F)c2	2905
+CC1(C)c2cc(c(C=Cc3cc(C)c(C(O)=O)cc3)cc2C(C)(C)CC1=O)Cn4nccc4	309
+CC1(C)C(CCc2cc(C#C)c(cc12)OC)=O	1800
+CC1(C)CC(N(c2cc3[nH]c(nc3cc12)-c4[nH]nc5ccccc45)CC)=O	567
+CC1(C)COc2c(cc(C(=O)O)cc12)Br	500
+C[Si](C)(C)C#Cc1cc(C2CC2)c3c(C(C)(C)CC(C)(C)O3)c1	263
+C[Si](C)(C)C#Cc1cc(c2OC3(CC3)CC(C)(C)c2c1)C4CC4	263
+c1cc(ccc1C#Cc2cc3c(C(=O)CCC3(C)C)c(O)c2)CC(=O)OC	129
+CC1(C)c2c(cc(cc2)C(=O)Nc3ccc(cc3)C(OC)=O)C(C)(C)CC1	67
+CC1(C)c2c(cc(C(=O)Nc3ccc(cc3)I)cc2)C(C)(C)CC1	67
+CC1(C)c2cc(ccc2N=C1C)OCCCCCC(O)=O	3
+CC1(C)c2cc(-c3cc(Cl)ccc3)ccc2NC1=O	11
+c1cc(ccc1)-c2cnc3c(c2)C(C)(C)C(C)=N3	89
+c1cc(ccc1)-c2nc(nc(-c3ccccc3)n2)-n4c5ccc(cc5c6cc7-c8c(cccc8)C(C)(C)c7cc46)Br	8115
+c1cc(ccc1)-n2cnc3cc4c(cc23)C(C)(C)C(C)(C)C4(C)C	8116
+CC1(C)c2c(N(C)C1=O)cc(-c3cnc(Cl)o3)cc2	2138
+CC1(C)CCC(CC(OCC)=O)(O)c2cc(Br)ccc12	2040
+CC1(C)CCOc2cc(C(CCCCC)CO)ccc12	2938
+CC1(C)c2ccc(-c3ocnc3)cc2N(C)C1=O	2939
+FC(F)(F)C1(ON=C(c2ccc(c(C)c2)C(NCc3cc4c(C(C)(C)OB4O)cc3)=O)C1)c5cc(Cl)c(c(Cl)c5)F	14
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c3ccc(c(C)c3)C(NCc4cc5c(C(C)(C)OB5O)cc4)=O)=NO1	14
+CC1(C)CC(=O)Nc2cc(ccc12)N	106
+c1cc(ccc1)C(c2ccccc2)N3c4ccccc4C(O)(c5c(O)cc6OCC(C)(C)c6c5)C3=O	1115
+CC1(C)CCC(C)(C)c2cc(OC)c(cc12)C(=O)CC	94
+CC1(C)CCC(C)(C)c2cc(c(C(=O)C)cc12)OC	8117
+CC1(C)CC(c2cc(N)ccc12)=O	0
+CC1(C)N(C(C)(C)c2c1cc(cc2)Nc3ncc(c(NC4CCCN(C(C=C)=O)C4)n3)F)C	55
+CC1(C)c2ccn(c2-c3cc(CC)ccc13)CC(C)O	8118
+CC1(C)c2c(N(C1)C(=O)C)cc(cc2)N	0
+CC1(C)C(=O)N(c2cc(ccc12)CO)C	49
+FC(F)(F)c1cnc(nc1Nc2c3C(=O)N(C)C(C)(C)c3ccc2)Nc4ccc(CP(OCC)(OCC)=O)cc4OC	73
+C[Si](C)(C)c1c(c2N(C)C(=O)C(C)(C)c2cc1)F	1091
+C1CC1(CCN2C(=O)OC(C)(C)c3ccccc23)N	8119
+CC1(C)CCN(c2ccccc2N)c3ccccc13	0
+CC1(C)c2ccccc2N(CC1)c3ccccc3NC(=S)N	401
+CC1(C)CCC(Nc2c1cc(cc2)[N+]([O-])=O)=O	77
+CC1(C)c2ccc(cc2NCC1)[N+](=O)[O-]	77
+CC1(C)c2ccccc2N(CC1)c3ccccc3[N+]([O-])=O	4434
+CC1(C)c2ccc(CC)cc2-c3n(ccc13)CC(C)N=[N+]=[N-]	2135
+CC1(C2CN(C(=O)C12)CC=C)c3cc(ccc3)N	0
+C1C2C(CN1CC=C)C2(c3cc(N)ccc3)C	15
+CC1(C2CN(C(=O)C12)CCCCCC)c3cc(ccc3)N	0
+CC1(C2CN(C(=O)C12)CCCCCC)c3cc(ccc3)O	477
+C1C2C(CN1CCCCCC)C2(c3cc(O)ccc3)C	15
+C(=O)(N)CCC1CC(OC(=O)C)CCC1(C)C2CCC3(C)C(CCC3C2OC(C)=O)=C	527
+CC12C3CCC4(C(C(C)CCC(OC)=O)CCC4C3C(O)CC1CC(CC2)O)C	27
+CC12CCC(CC1CC(C3C4CCC(C4(C)CCC23)C(C)CCC(OC)=O)=O)O	86
+C1C2CC(OC(C)=O)CCC2(C3C(C1)C4C(C(Cl)=C(C=O)C4)(C)CC3)C	2657
+CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C	410
+CC12C3CCC4(C(CCC4C=O)C3CCC1CC(C)(O)CC2)C	24
+CC12C3CCC4(C(CO)CCC4C3CCC1CC(C)(O)CC2)C	21
+CC12CCC(CC1CC(C3C4CCC(C4(C)CCC23)C(C)CCC(=O)O)=O)O	4
+C1(=C(C#N)C(C(=C(C)N1)C#N)c2ccc3c(c2)c([nH]n3)N)C	575
+C=1(N(C)N(C(=O)C=1CN)C)C	8120
+CC1=C(C(OC)=O)N(C(C(OC)=O)=C(C)N1)c2cccc(N)c2	0
+CC1=C(C(OC)=O)N(C(=C(C)N1)C(OC)=O)c2cc(ccc2)N=C=S	1034
+CC1=C(C)C(=O)N(C1=O)CCOC(=O)C	27
+[O-][N+](C=1C(=O)N(N(C)C=1C)c2ccccc2F)=O	8121
+FC(F)N1C(=NN(c2cc(OC)c(cc2)C)C1=O)C	8122
+FC(F)(F)c1c(ccc(F)c1)-c2c(c(C(=O)Nc3ccc(cc3)S(=O)(=O)C)cn2C(C)C(O)C)C	8123
+c1cc(ccc1-c2c(c(NC(=O)C3C(C)C3)sn2)C)O	1477
+c1cc(ccc1OCc2cc(Cl)c(cc2)Cl)CN3CCC(C(C3)C)C(=O)O	48
+CC1CC(CC(C)C1)=O	86
+C1(CC(CC(C)O1)(c2nc(COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC)cs2)F)C	3709
+CC1CC(CCN1C(=O)OC)N	8124
+Clc1ccc(c([N+]([O-])=O)c1)NC2CC(C)N(CC2)C(=O)OC	205
+CC1CCC(C)N1C(=O)CSC#N	8125
+C1(C)CCCC(C)N1C(=O)c2csc(-c3ccccc3C)n2	1241
+Clc1nc(nc(Cl)c1)N2CCCC2C	117
+C(N1CCCC1C)C#N	1576
+C#CCCN1CCCC1C	3939
+c1c(cc(c(c1)N2C(C)CCC2)C=O)Br	34
+c1cc(ccc1-c2n3c(ccn3)nc4CCCCCc24)OCCCN5C(CCC5)C	53
+c1cc(ccc1OCCN2CCCC2C)-c3nc(CC(=O)OC)co3	53
+c12c(cnc(CCN3CCCC3C)c1)cc(cc2)Br	236
+c1cc(ccc1-c2ccc(cc2)C3C(CCN4C(C)CCC4)C3)C#N	123
+C1COCCN1C(=O)c2coc(-c3ccc(cc3)OCCCN4CCCC4C)n2	53
+c1cc(ccc1OCCCN2CCCC2C)-c3sc4CNCCc4n3	53
+c1cc(ccc1OCCCN2CCCC2C)I	53
+c1cc(ccc1OCc2ccccn2)-c3oc(C)c(CCN4C(C)CCC4)n3	1306
+c1ccccc1COC(NC2c3nc(sc3CC2)-c4ccc(cc4)OCCCN5CCCC5C)=O	53
+C1(N(c2cccc(Nc3c4nccn4nc(Cl)c3)n2)CCC1)C	361
+n1cc(cnc1N2C(C)CCC2)Br	117
+O=S(=O)(C)c1cc2OC(COc2cc1)CN3CCCC(C3)C	236
+c1cc(ccc1)CN2N=C(N3c4ccccc4CC3C(N5CCCC(C5)C)=O)C=CC2=O	10
+CC1CCOc2cccc(c12)O	241
+n1cc(cnc1Oc2cccc3OCCC(C)c23)[N+]([O-])=O	893
+O=S1(=O)c2c(cc(c(C)c2C(C)CC1)C(=O)O)C	902
+CC1CNCC(C)C1=O	25
+C1C(C)C(C(CN1C(=O)OCC)C)=O	1600
+C1C(C)N(C(CN1Cc2ccccc2)C)S(=O)(=O)c3cccc(C#N)c3	92
+c1cc(ccc1N2CC(C)N(C(C2)C)C)C(=O)OCC	2690
+CC1CN(CC(C)N1)c2ccc(cc2)C(Nc3cc([nH]n3)CCc4cc(OC)cc(OC)c4)=O	4435
+FC(F)(F)CNC(=O)C1(c2c(-c3c1cccc3)cccc2)CCCCN4C(C)CN(CC4C)c5nc6ccccc6s5	28
+C1C(C)NC(CN1c2ccc3occ(c3c2)C(=O)N(C)C)C	25
+c1cc(ccc1C(C#N)CCCCCCCCCCCN2CC(C)OC(C)C2)Cl	3886
+CC1CN(CC(C)O1)CCCCCCCCCCCCl	1883
+CC1CN(CC(C)O1)CCNC(=O)Nc2nc3ccc(S)cc3s2	1180
+C1C(C)OC(CN1c2c(F)c3onc(C(=O)OCC)c3cc2C=O)C	39
+CC1CN(CC(C)O1)c2c(cc(c(F)c2F)-c3cnc(C)cn3)C=O	4202
+C1(CN(CC(C)O1)c2c(ccc(F)c2F)CO)C	49
+C1CC(CCN1Cc2cnccc2)n3ncc4c(nc(nc34)Cl)N5CC(C)OC(C)C5	565
+C1(C)CN(CC(C)C1)c2ccc(cc2[N+](=O)[O-])Br	34
+c1cc(ccc1C(C)=C(CN2CC(C)CC(C2)C)C)C(C)(C)CC	8126
+c1cc(ccc1OCCCN2CC(C)CC(C2)C)C(=O)OC	53
+C1C(C)C(C(CN1C(=O)OCC)C)=O	66
+C1C(C)N(C(CN1c2ccc(c(NS(=O)(=O)c3ccc(cc3)-c4cccs4)c2)OC)C)C	79
+FC(F)(F)c1ccc(-c2nc3ccc(N4CC(C)OC(C4)C)nn3c2)cc1NC(C(C)(C)C)=O	212
+O=S(=O)(Cc1c(OCCN2CC(C)OC(C)C2)cc(C(Nc3ccc(Cl)c(-c4ccccn4)c3)=O)cc1)C	28
+CC1CN(CC(C)O1)c2nc(nc(Cl)c2)-n3c(nc4c(cccc34)OC)C(F)F	54
+C1(CN(CC(C)O1)c2cc(c(cc2)C(=O)OC)C)C	34
+C1(CN(CC(C)O1)c2cnc(cc2)[N+]([O-])=O)C	244
+C1(C)CN(CC(C)O1)C(C2CC2c3sc(CCCC)cc3)=O	58
+N1CC(C)N(CCCCl)CC1C	1569
+O=NN1CCN(C(=O)C)C(C1)C	4410
+C1(N(CCOC1)Cc2cc(c(Br)cc2F)F)C	48
+C(N1CCOCC1C)c2nc(ccc2)Br	315
+c1(N2CCOCC2C)cc(nc(Cl)n1)C(=O)OC	54
+c1cc(ccc1)S(=O)(=O)Cc2nc(Cl)nc(N3CCOCC3C)c2	54
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(ccc4c(S(C)=O)c3)C(=O)N5C(C)COCC5	30
+Clc1nccc(n1)N2CCOCC2C	54
+c1(cc2CCCC(C)c2cc1OC)C(=O)C	94
+C1CN(CCN1c2ncnc3c2C(C)CC3O)C(N(Cc4ccc(cc4)Cl)CCN(CC)CC)=O	54
+FC(F)(F)C(N1CC(C)c2ccc(nc2CC1)O)=O	520
+N(N=C1C(N(N=C1C)c2ccc3c(CCO3)c2)=O)c4cc(cc(c4O)-c5cc(C(=O)O)ccc5)F	4436
+c1(c2ccccc2c(O)nc1C)CC(=O)O	8127
+CN1N(C(C(C=O)=C1C)=O)C	8128
+Clc1ccc2c(C(C(CC=O)C2)=O)c1	8129
+c1ccc(CCC)cc1OCOC	374
+c1ccccc1COCc2nc(N)nc(c2-c3cc(c(N)cc3)CC)N	8130
+c1cc(ccc1-c2ccccc2-c3cccnc3)Cn4cccc4CC	4437
+c1cc(ccc1OCCO)-c2cccnc2	4437
+FC(F)(F)c1cc(ccc1)N2C(N(C(C3=C2CCC3=O)c4ccc(cc4S(=O)(=O)C)C#N)CC)=O	8131
+FC(F)(F)c1c(cccc1)-c2ccc(C(=O)OC)cc2OCC	8
+c1c(c(O)c(C=O)c(F)c1)OCC	8
+c1([N+]([O-])=O)cccc(c1C#N)OCC	8
+c1cc(F)nc2c1ccn2CC	4098
+c1cn(c2c(ccc(C#N)c12)Br)CC	339
+c12ccc(nc1cc(OCC)c(c2)F)C	8
+c1c(cc2c(C(C(C(=O)OCC)=CN2CC)=O)c1)Br	8132
+c1ccc(cc1OCC)CC(OC)=O	8
+c1c2c(ccc1OCC)c(-c3cnccc3)cs2	8
+c1cc(ccc1)COC(=O)C2CCN(C2)CC	28
+c1cc(ccc1C=Cc2n(CC)cc(-c3c(cc(Cl)cc3)Cl)n2)Br	541
+O=S(=O)(C)Nc1ncc(C(=O)NCC=CC(=CC)CC)cc1	802
+CCC(=CC)c1ccc2sc(C(=O)OCC)cc2c1	1425
+c1(oc2cc(C(CC)=CC)ccc2c1)C(=O)OCC	4113
+C(C)C(CC)(c1cc(c(O)cc1)C)c2ccc3sc(cc3c2)C(=O)OCC	4438
+c1c(cc(c(c1)Cc2c(nn(-c3cc(ccc3Cl)NC(CC)=O)c2C#N)CCCC)F)Br	829
+C1(Oc2cccc(C)c2O1)(CC)C	2893
+O(c1cccc(OC)c1C(C)(O)CC)C	1589
+c1(c2c(c(C)c(C)[nH]2)c(cc1)Br)C(=O)O	8133
+c1c(cc2c(C)c([nH]c2c1)C)Br	518
+c1cc(ccn1)-c2cc3c(s2)C(NC(C)(CC)N3CC)=O	4301
+c12c(c(c(cc1)OC)Cl)CC(CCC(=O)CC)(C2=O)CCCC	2104
+c1cc(ccc1N2C(CC)=CC=C(C#N)C2=O)F	8134
+COc1cc(-c2nc(co2)CC)ccc1O	8135
+c1cc(ccc1Cl)SCC(=O)CC	4439
+c1cc(ccc1SCC(CC)=O)-c2c(n3CCCc3n2)-c4ccncc4	4439
+c1ccccc1-n2nc(CC)cc2N	752
+c1cc(ccc1)NC(CC(CC)C)CC	231
+c1(cc(n[nH]1)CC)CC	3735
+C(CC)(=O)C(C(CC)=O)Cc1ccc(cc1)Br	8136
+c1cc(ccc1-n2c(cc(CC)n2)CC)OC	2734
+CN(C)C=C(C(=O)CC)C(OC)=O	2740
+Clc1cccc(c1)-c2nc(CC)cc(O)n2	4306
+CN(C)C=C(C(=O)OCC)C(=O)CC	2740
+c1cc(ccc1CC(C(=O)CC)C(=O)OCC)-n2cccn2	1251
+c1cc(ccc1CC(C(=O)CC)C(=O)OCC)S(=O)(=O)C	1251
+C(CCC(CC)O)CCC	100
+Clc1c(ccc(C)n1)-c2oc(cn2)CC	8137
+Clc1cnc(-n2c(ccn2)NC(CC)=O)c(Cl)c1	195
+CCC(N1Cc2n(CC1)nc([N+]([O-])=O)c2)=O	8138
+CCC(NC1CCC(C(=O)O)C1)=O	68
+CCC(Nc1cc(Cl)c(F)cc1)=O	26
+c1ccccc1COC2=C(N(C=C(NC(CC)=O)C2=O)CC(OC)OC)C(=O)NCc3cc(ccc3)Cl	8139
+c1c2OCC(Cc2ccc1)NCCC	8140
+CCC(Oc1c(c(F)ccc1)F)=O	385
+c1(F)c2Cc3c(ccc(C(CC)=O)c3F)-c2ccc1	94
+c1c-2c(cc(c1)C(=O)CC)CCc3ccccc-23	94
+C1c2c(CC1N(C(CC)=O)CCC)cccc2	58
+CCC(c1c2ccc(cc2[nH]c1CC)C(=O)OC)=O	432
+c1(cc(cc(C)c1OC)C(=O)CC)C	94
+CCC(Nc1cccc(C#N)c1)=O	26
+CCC(OCC(Nc1sc2cc(OC)ccc2n1)=O)=O	8141
+C1(Cc2c(cccc2)OC1)N(C(CC)=O)CCC	58
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCN(CC4)C(=O)CC	58
+c1ccccc1N(C(=O)CC)C2CN(CCC2)Cc3ccccc3	192
+c1cc(ccc1C(=O)CC)OC	94
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(Cl)ccc(-n4cccc4CNC(CC)=O)c3Cl	68
+O=S(=O)(NC(=O)CC)c1ccccc1-c2ccc(cc2)CC3=C(CCCC)N=C(N(c4ncc(cn4)OC)C3=O)C	2738
+c1cc(ccc1CN2CCN(CC2)c3ncccn3)CNC(CC)=O	68
+c1cc(ccc1NC(=O)CC)[N+](=O)[O-]	26
+C=1(OC(=O)c2c(cccc2)N=1)CC	3310
+c1(ccccc1C(=O)O)NC(=O)CC	26
+c1cc(ccc1)C(CNC(CC)=O)Nc2cncc(c2)Br	68
+c1ccccc1CNC(c2sc(NC(CC)=O)nc2C)=O	290
+c1ccccc1COC(CC(C)(C)c2cc(ccc2OC(CC)=O)P(=O)(CP(OCC)(OCC)=O)OCC)=O	385
+c1cc(ccc1SC)C(CC)=O	94
+n1cc(-c2cc(NC(CC)=O)ccc2)nc3ccccc13	26
+CCC(NC1CCCc2c(Br)cncc12)=O	68
+O(c1cc(c([N+]([O-])=O)cc1F)F)c2ccnc(c2)NC(=O)CC	1153
+CCC(=O)N(Cc1cccc(I)c1)c2cc(-c3[nH]nnn3)ccc2	4440
+FC(F)(F)c1ccc(cn1)-c2nc3c(ncnc3NC4CN(CC4)C(CC)=O)n2C	516
+c1n2CCN(Cc2nc1NC(CC)=O)c3cc(-c4c(C)cc(cn4)C)c(Cl)cn3	43
+CCC(=O)Nc1cn2CCNCc2n1	4441
+CCC(NC1CCCc2c(cncc12)-c3cc4CCC(N(c4cc3)C)=O)=O	9
+CCC(=O)Nc1cn2ccncc2n1	1018
+N(c1c(scc1)C(Nc2cccc(OC)c2)=O)C(C(Cl)CC)=O	8142
+c1c2NC(CCc2cc(c1)Nc3nc(NC(CC)C(N)=O)cnc3C#N)=O	1410
+c1c(Br)ccc2ccc(cc12)OC(CC)C(=O)OC	289
+c1cc(cc2c1ccc(O)c2)OC(CC)C(=O)OC	289
+O=S(=O)(NC(C(CC)C)CO)c1ccc(cc1)Cl	71
+OC(C#N)CC(C([N+](=O)[O-])C)CC	2069
+Clc1cc(c(CO)cc1)OC(CC)C	521
+c1cc(ccc1OC)SC(CC)C	8143
+CCC(C=1N=C2C=CC=C(C)N2C(C=1I)=O)N=[N+]=[N-]	8144
+CCC(N)C=1N=C2C=CC=C(C)N2C(C=1I)=O	1426
+CCC(CC)(c1cn(nn1)Cc2cc3c(C(c4cc(ccc4)F)=CC(=O)O3)cc2)O	642
+c1cc(ccc1S(=O)(=O)OCC#CC(CC)(CC)OC2OCCCC2)C	8145
+C(C)C(CC)c1cccc2NC(=O)Nc12	564
+c1ccccc1COc2ccc(cc2C)C(CC)(CC)c3nc4ccc(C(=O)OC)cc4o3	1692
+C(C)C(CC)(c1ccc(OCc2ccccc2)c(C)c1)c3nc4cc(C(=O)OC)ccc4o3	1692
+CCC(CC)(c1c[nH]c2c(cccc12)NS(=O)(=O)C)c3cc4cc(oc4cc3)C	1263
+C(C)C(CC)=C(c1ccc(c2c1cccc2)C=NNC(=O)c3cc(c(O)cc3)Cl)C(=O)N	8146
+CCC(CC)C(=O)Nc1cc2C3=NC=C(C(O)=O)C(N3C=Nc2cc1)=O	127
+O=S(=O)(c1ccc(Cl)s1)NC(C=O)C(CC)CC	24
+CCC(CC)C(Nc1ccc2ncnc(c2c1)N)=O	26
+CCC(CC)C(=O)c1c[nH]c2cnc(cc12)-c3c(C)cccc3C	432
+C(C)C(CC)C(=O)c1sc2ccccc2c1C	2940
+c1cc(ccc1-n2c(ccn2)C(C(CC)CC)NS(=O)(=O)c3ccc(Cl)s3)OC	1427
+CCC(CC)C(Nc1ccc(cc1)C(NCCC(O)=O)=O)c2c(c3c(s2)cccc3)C	3
+CCC(CC)C(Nc1ccc(cc1)C(=O)NCCC(OCC)=O)c2c(c3c(s2)cccc3)C	14
+C(OC)(=O)C(C(OC)=O)=CNc1c2c(ncn1)ccc(NC(C(CC)CC)=O)c2	8147
+CCC1(CC)c2c(c(OCc3ccccc3)ccc2F)NC1	3897
+C(C)C(CC)CCNCc1cc(c(cc1)Oc2ncc(C(=O)N)nc2)F	42
+C(C)C(CC)Nc1nc(Cl)ncc1[N+](=O)[O-]	40
+CCC(CC)NC1=C(C(C1=O)=O)Nc2ccc(Cl)c(S(=O)(=O)N(OC)C)c2O	993
+C(C)C(CC)Nc1cc(nc(Cl)c1[N+]([O-])=O)C	105
+C(C)C(CC)Nc1c(cc(C(OC)=O)cc1)[N+](=O)[O-]	60
+C(C)C(CC)NC(=O)c1ccc(cc1)-c2scc(Br)c2CC(=O)OC	14
+CCC(CC)NC(C=Cc1ccc(cc1)O)=O	711
+CCC(CC)NC(=O)Oc1ccccc1	101
+C(C)C(CC)NC(n1c2ccc(Oc3cc(ncc3)N)cc2cc1)=O	2121
+c1cc(ccc1-c2scc(-c3ccccc3Cl)c2CC(=O)NC(n4cccn4)=N)C(NC(CC)CC)=O	8148
+CCC(CC)NC(c1ccc(cc1)-c2scc(-c3c(Cl)cccc3)c2CC(O)=O)=O	4
+CCC(CC)n1c2c(cnc(n2)Cl)cc1C(OCC)OCC	4442
+c1cc(ccc1F)-c2cc(OC(CC)CC)c(NC)nc2-c3ccc(cc3Cl)OC	89
+CCC(CC)c1c2c(c(Cl)cc1)nc3N(CCn23)c4ccc(Cl)cc4Cl	8149
+C(C)C(CC)c1c2n(C)c(nc2c(Cl)cc1)Oc3c(Cl)cc(cc3Br)Cl	2200
+C(C)C(CC)c1ccc(c2nc(Oc3c(cc(Br)cc3Cl)C)n(C)c12)Cl	2200
+CCC(CC)c1c2c(c(cc1)Cl)nc(Nc3ccc(Cl)cc3Cl)n2CCO	44
+CCC(CC)c1cc(cc(OC)n1)C(=O)O	1
+CCC(CC)c1nc(cc(-c2onc(n2)-c3cc(c(c(C)c3)NS(=O)(=O)C)CC)c1)OC	529
+CCC(CC)c1c2c(nc(Cl)n2C)c(cc1)Cl	1088
+C(C)C(CC)c1ccc(Cl)c2NC(=O)N(CC(OCC)=O)c12	196
+C(C)C(CC)n1c2nc(Cl)ncc2cc1C(=O)O	2634
+CCC(CC)n1c(C=O)cc2c1nc(Cl)nc2	1921
+OC(COCCCC)COCC(CCCC)CC	850
+c1cccc2nn(nc12)-c3cc(cc(c3O)COCC(CCCC)CC)C	555
+c1cccc(C(C2=NNC(N2CC(CC)C)=S)O)c1Cl	3547
+O=S(=O)(C)OCC(CC)C	7
+O=S(=O)(Nc1ccc(c(c1)O)C(=O)OCC(CC)OC)c2cc(c(Cl)s2)-c3c(O)ccc(F)c3	47
+C(CN(CCC)C1Cc2ccc(cc2C1)Br)C	15
+c1c(cc(Cl)nc1NC(C)CC)C(=O)OC	70
+O=Cc1c(nc(SC)nc1Cl)NC(C)CC	40
+FC(F)(F)c1nc(c(c(n1)NCC)[N+](=O)[O-])NC(CC)C	40
+CCC(C(=O)N)Nc1cnc(c(Cl)n1)C#N	2941
+FC(F)(F)C(=O)NC(C(=O)O)CC	8150
+c1ccccc1COC(=O)NC(CC)C(O)=O	544
+c12c(NC(C=3N=C4N(C(=CC=C4)C)C(=O)C=3I)CC)ncnc1nc[nH]2	3392
+O=S(=O)(N1CCC(CC1)Nc2nc(N)c(cn2)C(=O)c3c(ccc(F)c3F)OC)CCCNC(CO)CC	284
+O=S(=O)(c1cc(cc([N+](=O)[O-])c1)NC(CNC(CC)CO)=O)C	402
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(cn3)C(=O)NC(CC)CO)F	56
+c1ccccc1Nc2c3ncn(C)c3nc(n2)NC(CO)CC	96
+c1c(ncnc1Cl)NC(CC)CO	40
+CCC(N1Cc2n(nc(N)c2)CC1)=O	161
+CCC(N1Cc2cc(NC3=CC(=CN(C)C3=O)Br)nn2CC1)=O	523
+CCC(N=C=S)(CCCl)c1c(F)ccc([N+]([O-])=O)c1	221
+c1cc(ccc1N(C)C(=O)C2CCC(C2)NC(CC)=O)-c3nc4ccccc4n3C	429
+c12CCC(NC(CC)=O)Cc1ccc(OC)c2[N+]([O-])=O	77
+CCC(NCCc1cc(c(c(Cl)c1)Cl)C=O)=O	39
+c1cc(ccc1)CN(C(CC)=O)c2cc(C#N)ccc2	1126
+c1cc(ccc1C#Cc2cc(F)ccc2)-c3nc(on3)C(CC)OC	859
+c1cc(ccc1OC)C(CC(=O)CC)=O	2201
+c1(O)c(c(F)ccc1C(CC)=O)F	4443
+c1cc(ccc1Nc2ncc(Br)c(SC(CC)CO)n2)S(=N)(=O)C	2147
+CCC(c1cnc2c(cccc2c1Cl)OC)=O	120
+c1(cc(C(CC)Nc2cc(Br)c(C)cc2)ccc1Cl)C	3800
+C(C)C(=NOC)c1cc(c(O)c(c1)CN)Br	189
+c1(cccc(CCC)c1)Br	165
+CCC(c1ccc2occc2c1)=O	8151
+C=1COc2c(c(O)c(C(CC)=O)cc2)C=1	1318
+c1cc(ccc1C(=C(CC)c2ccc3occc3c2)c4ccc(cc4)O)OCCCl	1051
+CCC(c1cccc(c1)O)=O	5
+c1cc(ccc1C(c2ccc(cc2)O)=C(c3cccc(c3)OCC(OCC)=O)CC)O	1051
+CCC(c1cccc(OCC(OCC)=O)c1)=O	52
+CCC(c1cccc(c1)OCCCC(OCC)=O)=O	8
+CN(C)CCOc1cccc(C(CC)=O)c1	72
+c1cc(ccc1C(c2ccc(cc2)O)=C(CC)c3cc(ccc3)OCCCC(=O)OCC)O	1051
+c1cc2c(ncc(C(CC)=O)c2Nc3c(C)cccc3)c(O)c1	179
+CCC(c1cnc2c(cccc2c1Cl)O)=O	390
+C(C)C1(CC)c2cc([N+]([O-])=O)ccc2N(C)C1=O	31
+CCC1(CC)CNCCC1N	25
+C(C)C1(CC)c2cc(NC(=O)C)c(cc2N(C1=O)C)[N+](=O)[O-]	77
+C(C)C1(CC)C(Nc2ccc(cc12)[N+](=O)[O-])=O	31
+CCC1(CC)c2c(N(CCC(C)(C)NCC(c3c4ccc(nc4cc(OCc5ccccc5)c3)O)O)C(=O)O1)cccc2	122
+CCC1(CC)c2c(N(CCC(C)(C)NCC(c3cc(cc4nc(ccc34)O)O)O)C(=O)O1)cccc2	16
+CC(C)N1C(C(CC)(CC)c2cc(N)ccc12)=O	0
+C1(N(C(=O)NC12CC(C)(CC)NC(C2C)(C)CC)C)=O	3701
+C1C(C(CN(C(=O)OCC)C1)CC)=O	66
+CCC=CCCC(CCC=CCC)OS(=O)(=O)C	7
+CCC=CCCC(CCC=CCC)C#N	4444
+COc1c(C(O)CC)c(F)ccc1	1512
+C(CC(NCCC)CC(=O)N)CCCCCCCCCCC	110
+c1c(C)c(c(cc1C(O)CC)C)-n2c(c(Cc3c4c(ccc3OCC)cccc4)c(n2)CC)CC	1482
+OC(c1cccnc1F)CC	1831
+C1C(CN1c2cc3c(cc2)OCC(C3Cc4ccccc4)NCCC)NS(=O)(=O)CCC	110
+c1cc(ccc1)COc2cc(cc(F)c2)C3(COC(CC)O3)CC	8152
+c1ccccc1C=2CCN(CC=2)CCC#Cc3ncc(NCCC)cc3	839
+C1CC(CCN1Cc2ccccc2)N(CCC)C3Cc4c(ccc(OC)c4)CC3	61
+C(CC)(c1c(OC)c(ncc1)OC)O	3280
+CCCOc1cccnc1N	458
+n1n(CCC)ccc1[N+](=O)[O-]	338
+O(c1c([N+]([O-])=O)cccc1)CCC	8
+c1cc(c(c(c1OCCC)Cl)C)[N+]([O-])=O	8
+c1(C=O)cc(OCCC)c(cc1)OC	8
+C(O)(c1cc(ccc1F)Br)CCC	8153
+c1c(cc(F)c(c1)N2C=NN(CCC)C2=O)Br	8154
+c1ccccc1C2=NCC(=O)N(c3ccc(cc23)Cl)CCC	988
+c1ccccc1N(C(CC(C)CC)CC)CCC	936
+C1(=O)c2ccccc2C(=O)N1C3CCC(CC3)OCCC	176
+c1ccccc1-c2c3c(n(c2C)CCC)cccc3OC(C)(C)C(=O)OCC	339
+c1ccccc1COc2c(c(SC)cc(C=O)c2)OCCC	8
+c1nc(ncc1OCC)-c2ccc(cc2)CCCCCOCCC	176
+C(COc1cccc2c1cncc2)C	8
+Clc1cc(c(NC(=O)CCC)cc1)C(=O)N	26
+FC(F)(F)CCN1CCN(CC1)c2c(ccc(Cl)c2)NC(=O)c3cc4c(CCN(C4)C(=O)CCC)cc3	58
+Oc1nc(CCC)nc2nc3c(cc12)cccc3	8155
+C(C)CC(Nc1c(ccc([N+]([O-])=O)c1)O)=O	26
+C(c1ccc(c(c1O)C)O)(CCC)=O	94
+C(C)CC(Nc1cc([N+]([O-])=O)ccc1)=O	26
+c1cc(ccc1[N+]([O-])=O)Oc2ccnc(NC(CCC)=O)c2	195
+c1ccccc1-c2cnc3c(c2)c([nH]n3)NC(CCC)=O	195
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3ccc4[nH]c(CCC)nc4c3	442
+c1cc(ccc1Oc2ccccc2)C(=O)CCC	214
+c1cc(ccc1-c2c3c(ncnc3n(C4COCCN(C4)C(CCC)=O)n2)N)Oc5ccccc5	10
+c1cc(ccc1CCC(C(=O)OCC)(C(=O)OCC)NC(C)=O)Sc2ccc(cc2)C(=O)COC(=O)CCC	4445
+c1cc(ccc1C(=O)CCC)Sc2ccccc2	214
+C(C)CC(CCC)(C(=O)OCC)Oc1c(C=O)cc(Cl)cc1	494
+C[Si](C)(C)OCC(CCC)(CCC)COC	19
+C(CC)C(CCC)C(N(C(CC=C)C(=O)O)C)=O	4
+CCCC(CCC)c1ccc(cc1)OCc2ccc(cc2)-c3ccc(C=O)s3	139
+CCCC(CCC)c1ccc(cc1)OCc2ccc(cc2)-c3ccc(s3)CO	1364
+CCCC(CCC)c1ccc(cc1)OCc2ccc(cc2)-c3sc(cc3)CCl	8156
+Clc1ccc(c(Cl)c1)-c2c(c(NC(CCC)C)ncc2)[N+]([O-])=O	70
+C[Si](C)(C)OC(CC#C)(CCC)CCCC	19
+C1C(CCCN1C(=O)c2cnc(c(Cl)c2)Cl)CCC	1558
+c1cc(ccc1-c2sc(cc2)CCCCC)OC(=O)C=CCCC	2358
+FC(F)(F)c1ccc(cc1)-c2cccc(NCCCC)c2	291
+c1(cc2c(nc(s2)Cl)cc1)NCCCC	291
+C1CCCCC1CC(C(OCC)=O)(C(OCC)=O)CCCC	3270
+c1(cc(c(cc1)OCCCC)O)C=O	8
+c1c(F)c(c(cc1)F)C(Nc2nn(Cc3ccc(cc3Cl)OCCCC)cc2)=O	8
+c1c([N+]([O-])=O)cccc1C(=O)c2cccn2CCCC	1878
+c1c(C)nc(cc1)OCCCC	1923
+c1ccccc1CNC(CN2CCc3cc(c(cc3C2Cc4ccc(OCCCC)c(OC)c4)OC)OC)=O	8
+c1cc(ccc1)COC=2C=CN(CCCC)C(=O)C=2	8157
+CN(C)C(C)(CCCC)C#N	735
+FC(F)(F)c1ccccc1C(=O)N2CCN(CC2)c3ccc4n(n3)cc(n4)CCCC	1823
+O(CC)C(=O)C(C(OCC)=O)CC(c1ccc(cc1)-c2ccc(cc2)NC(CCCC)=O)=O	26
+C(C(=O)c1c(sc2c1cccc2)-c3ccc4c(c3)ccc(OCC(=O)OCC)c4Br)CCC	1487
+C(C(=O)c1c(-c2cc3ccc(cc3cc2)OC)oc4ccccc14)CCC	2617
+c1cc(ccc1CN(C(=O)CCCC)c2ccccc2)-c3ccccc3C(=O)OC	192
+CCCCc1c(C)nc(c(C#N)c1)O	8158
+CCCCC(CC(=O)OC)C	27
+O=S1(=O)c2cc(C=O)ccc2N=C(N1)C=3C(=O)C(CCCC)(CCCC)c4ccc(cc4C=3O)F	674
+O(C)c1c(F)cc2C(C(Cc2c1Br)CCCC)=O	65
+CCCCc1cc(Cl)n2c(ccn2)n1	1591
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)NCCCCC	291
+OC(CCCC)C#CC	8159
+c1(ccc(C#CC(O)CCCC)c(c1F)F)F	3685
+C(CCC1(CCCCCC)c2cc3c(cc2-c4ccccc14)CC(C3O)C)CCC	74
+c1cc(ccc1NCCCCCC(CCCCCCCCCC)=O)C(OCC)=O	601
+CCCCCCCCCCCC(NO)=N	409
+c1cc(C(=O)CCCCCCCCCCC)sc1	1808
+c1cc(ccc1-c2onc(CCCCCCCCCCC)n2)C=O	4446
+c1cc(cc2c1nc(nc2NCCCCCCCCCCCC)Cl)[N+](=O)[O-]	8160
+FC(F)(F)C(=O)C=Cc1ccc(cc1)OCC(NCCCCCCCCCCCC)=O	9
+c12c(C(=O)N(C1=O)Cc3sc(S(=O)(=O)NCCCCCCCCCCCC)cc3)cccc2	1427
+c1ccccc1C=NCCCCCCCCCCCC	853
+C(CCCCN(CCO)CC)CCCCCCC	183
+C(Cc1sc(C=O)cc1)CCCCCCCCCC	968
+C(CO)CCCN(C(Nc1c(F)cc(cc1)F)=O)CCCCCCC	326
+C(Oc1cc(CCN)ccc1OCCCCCC)CCCCC	157
+c1(C=C[N+](=O)[O-])cc(c(OCCCCCC)cc1)OCCCCCC	417
+O(C)C=1C(N(C=CC=1)CCCC)=O	8161
+O=C(OCC)C(=NOCCCC)C(C)=O	4447
+O=S(=O)(N(CCCC)C1CCCOc2ccccc12)C	2821
+C1(C#N)=C2CCCC(=O)C2=CN(CCCC)C1=O	8162
+c1(cc(cc(C)c1OCCCC)C=O)C	116
+c1ccccc1Cn2cnc3c2C(NC(=O)N3CCCC)=O	3419
+c1ccccc1CN2c3c(ccc(c3CCC2=O)CC4SC(NC4=O)=O)OCCCC	116
+c1(ccccc1Br)NN=C(C(NCCCC)=O)C#N	8163
+N(C(=O)c1cccc(c1OC)OC)CCCC	14
+Cc1nc(N)nc(NCCCC)c1Cc2c(cc(cc2)Br)OC	8164
+c1(c([N+]([O-])=O)cc(C)c(Cl)c1)NCCCC	205
+C(c1ccc(c(Cl)c1)Cl)NCCCC	42
+c12nc(nc(c1[nH]cn2)N)NCCCC	96
+c1(cc(ccc1[N+]([O-])=O)F)NCCCC	250
+c1cc(ccc1CC#N)Sc2c(nc(N)nc2C)NCCCC	40
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCCCCC(=O)NCCCC	9
+c1ccccc1S(=O)(=O)c2n[nH]c3c2cc(OCCNCCCC)cc3	463
+n1cc(n2c1ccc(NCCCC)n2)Br	232
+C(CN(CCCC)C(=O)OCOC(=O)C1=C(SC=Cc2scnc2CO)C(C3C(C(=O)N13)C(C)O)C)CC	8165
+C(C)CCN(CCCC)C(c1nn(-c2c(C#N)cc(OC)cc2)c(c1Cl)C)=O	926
+C(CN(CCCC)SN(C(Oc1cc(C)c(c(c1)C)N=Cc2c(O)cccc2)=O)C)CC	8166
+O=S(=O)(CCCCCCl)N(C)CCCC	112
+CCCCNC(=O)C(C(N)CCCC)O	18
+c1cc(ccc1)S(=O)(=O)CCCc2cc(C(OCC)=O)nn2CCCC	4281
+C(C)OC(c1cc(C)n(CCCC)n1)=O	2202
+O=S(=O)(C)c1nnc(NC(=O)N(CCCC)N)s1	2551
+C1OCCC1(NC(=O)c2cncc(N)c2)C(OCCCC)=O	4370
+FC(F)(F)c1c(cc(cc1F)C=CC(OCCCC)=O)F	233
+Fc1cc(cc(F)c1C)C=CC(OCCCC)=O	233
+c1cc(ccc1-c2cc(sc2S(=O)(=O)NC(=O)OCCCC)CCCC)Cn3ccnc3	3269
+c1ccccc1COC(NC2CCN(C(OCCCC)=O)C2)=O	66
+n1c(c(Cl)cnc1Cl)C=COCCCC	8167
+c1cc(c(C)c(n1)CSc2nc3ccccc3[nH]2)OCCCC	8168
+FC(F)(F)c1cnc(-c2ccc(cc2)C(O)CCCC)cc1	758
+S(c1cc(C)c2nnc(c(Cl)c2c1)C(=O)N)C	3404
+FC(F)(F)c1c(-c2ccccn2)ccc(NC(=O)Nc3ccc(cc3)Oc4ncnc(c4)NC)c1	4448
+O=C1c2c(cccc2)C(=O)N1C(c3c(-c4ccccn4)nc5sccc5c3)C	4449
+c12c(cccc1)C(=O)N(C2=O)C(C)c3c(nc4c(c(ccc4)Cl)c3)-c5ncccc5	8169
+c1ccc2C(=O)N(C(=O)c2c1)c3nc(c(C)cc3)-c4ncccc4	8170
+CC(C)Oc1ccc(cc1)-c2cc(Cl)cc(-c3ccccn3)n2	4449
+c1(cnccc1-c2cc(c(nc2-c3cccnc3)N)[N+]([O-])=O)F	8171
+c1(cnccc1-c2cc(c(nc2-c3c(cccc3)F)N)[N+]([O-])=O)F	2432
+FC(F)(F)c1cccc(-n2c(OCC)nc(-c3n(-c4ccc(cc4)C#N)ncc3)c2C)c1	8172
+FC(F)c1cc(c(cc1-c2ccnn2C(C)C)C(OC)=O)N	4450
+FC(F)(C)c1cc(N)c(cc1-c2n(ncc2)C)C(=O)OC	4450
+c1(-c2nc(C)cs2)nccc(c1)C(=O)OC	8173
+c1c(C)ccc(-c2cc(OC)cc(c2)C(=O)OC)n1	4448
+c1cc(ccc1S(=O)(=O)n2cc(-c3nc(Cl)ccn3)c4cc(ccc24)-c5oc(NCc6ccc(cc6)OC)nn5)C	8174
+n1cccnc1-c2ccc(nc2)F	8175
+Cc1nc(N)nc2N(C(C(c3sccn3)=Cc12)=O)CC	8176
+n1cc(-c2sccn2)ccc1F	8177
+n1(cc(-c2cc(C#N)ccn2)nc1)C	4451
+O(CC)P(OCC)(c1c(scc1)-c2c(P(OCC)(OCC)=O)ccs2)=O	3382
+CCCCc1c(C)nc(O)c(N)c1	13
+Cc1c(ccc(O)n1)CCCC	2203
+CCCCc1cc(n2c(ccn2)n1)NC	1005
+CCCCc1c(N)c([nH]n1)C(=O)N	209
+CCCCc1n[nH]c(C(=O)O)c1[N+](=O)[O-]	1733
+CCCCc1n[nH]c(C(=O)N)c1[N+](=O)[O-]	4252
+c1ccccc1-c2csc(Sc3n(c(c(n3)C(=O)N)N)CCCC)n2	8178
+Clc1cc(c(CO)cc1)OCCC	116
+FC(F)(F)C(c1cn(CCC)c2cc(ccc12)Cl)=O	557
+FC(F)(F)c1ccc(cc1)-c2cc(OCc3ccccc3)cc(C(C(OCC)=O)CCC)c2	434
+C1CN(CCC)CC(c2cc(ccc2)OC)=C1	8179
+O=C(C(CCC)c1c(Cl)n2nc3c(c2nc1C)cccc3)OC	2877
+O=C(OCC)C(=NOCCC)C(C)=O	4447
+O=S(=O)(C)c1c(c(C2CCN(CC2)CCC)ccc1)F	183
+O=S(=O)(N)c1c(cccc1OCCC)I	116
+CCCn1cnc(C=O)c1	4452
+c1(c(c(c2c(OC(c3cc(c(cc3)N(CCC)C(=O)C)F)=CC2=O)c1F)N)F)C	727
+C(c1c(Br)cccc1F)CC	4453
+C(COc1cc(ccc1[N+]([O-])=O)F)C	116
+C(Oc1cc2c(cccc2)cc1NC(=O)C)CC	116
+C(COc1c(ccc(c1)O)Br)C	116
+C(COc1cc(cc(c1Br)O)C(=O)OCC)C	116
+c1cc(c(C(=O)OC)cc1I)OCCC	116
+c1c(cc2c(OC(=O)N2CCC)c1)Br	4325
+c1cc(ccc1-c2c(C)c(nn2-c3c(Cl)cc(Cl)cc3)-c4n(nnn4)CCC)Cl	8180
+c1ccccc1CN2C(C)=CC(OCCC)=C(Cc3ccc(cc3)-c4ccccc4C#N)C2=O	8181
+c1cc(ccc1Br)OCCC	116
+c1cc(ccc1-c2nc(nc(C)c2C(C(=O)OC)CCC)Cl)C	2877
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)OCCC	116
+c1ccccc1NC(NCCCN(CCC)CCc2ccc(cc2)Cl)=O	183
+c1cc(ccc1OCCC)C(=O)C	116
+c1ccccc1COC(NC2CC3c4c5c(CC3N(CCC)C2)c[nH]c5ccc4)=O	183
+COc1cc2c(cc1)CCC(NCCC)C2	87
+FC(F)(F)C(CNc1cc(C)cc2n(ncc12)-c3ccccc3)(CNCCC)O	122
+FC(F)(F)C(CNc1cc(C)cc2n(ncc12)-c3ccc(cc3)F)(CNCCC)O	122
+FC(F)(F)c1cccc(c1)S(=O)(=O)N2CCC(CC2)ONC(=O)NCCC	8182
+FC(F)Oc1ccc(Br)c(OCC(NCCC)=O)c1OC	9
+O1C(Oc2cc(cc(c2C1)F)Br)CNCCC	132
+CCCN1C(CO)=CNC1=S	4327
+C(CC)N1C(Cc2c1c(F)cc([N+]([O-])=O)c2)=O	1611
+c1(nc(NCCC)nc(c1)C(NO)=N)C	96
+c1(C=C2c3cc(C(=O)NCCC)sc3NC2=O)ccc[nH]1	227
+CCCNc1c(I)cnc(Cl)n1	40
+[N+](c1c(c(Cl)cc(c1C(=O)NCCC)Cl)OC)(=O)[O-]	513
+c1(Cl)cc(cc(Cl)c1OCCNCCC)Cl	132
+c1(cccc(OC)c1-c2n(CC(C)C)nc(C(=O)NC(CC(NCCC)=O)CC(C)C)c2)OC	9
+n1c2c(c(NC)nc1NCCC)nc(Cl)nc2NC	798
+O=[N+](c1c(NCCC)cc(c(F)c1)[N+](=O)[O-])[O-]	60
+c1c(ccc(CNCCC)c1F)F	42
+c1cc(ccc1-c2c(C#N)cccc2)CNCCC	370
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(-n4nnc(CCNCCC)c4)c3)ccc1F)F	463
+c1c(cc(C(NCCC)=O)c(N)c1)I	1338
+c1ccccc1COCCCC(=O)NCCC	9
+c1ccccc1N2C(C3=CNC=C(C(NCCC)=O)C3=N2)=O	8183
+c1ccccc1S(=O)(=O)Nc2cccc(Sc3ccc([N+](=O)[O-])c(CNCCC)c3)c2	42
+c1ccccc1S(=O)(=O)Nc2cccc(S(c3ccc([N+](=O)[O-])c(CNCCC)c3)=O)c2	42
+CCCN(CCC)CC(N1c2c(C=3N(c4cc(c(cc14)C)C)C(N(CCCN(C)C)N=3)=O)cccn2)=O	4284
+CCCN(CCC)CC(N1c2ncccc2C(Nc3cc(C)c(cc13)C)=S)=O	8184
+CCCN(CCC)CC(=O)N1c2c(cc(C)c(C)c2)N3C(=O)NN=C3c4c1nccc4	8185
+CCCN(CCC)CCCCC1C(c2ccc(CNCc3ncc[nH]3)cc2C1)OC	8186
+CCCN(CCC)CCCCC1Cc2c(ccc(CN(Cc3nccn3C)Cc4ncc[nH]4)c2)C1OC	566
+c1cc(ccc1CN(Cc2n(ccn2)C)Cc3[nH]ccn3)CN(CCCCN(CCC)CCC)CCC(O)=O	4
+CCCN(CCC)CCCCN1CCc2cc(ccc2C1)CO	98
+CCCN(CCC)CCCCN1CCc2c(ccc(CNCc3n(ccn3)C)c2)C1	42
+CCCN(CCC)CCCCN1CCc2cc(C=O)ccc2C1	39
+C(CC)N(CCC)CCCCN(C=O)Cc1ccc(cc1)CN(Cc2n(C)ccn2)Cc3[nH]ccn3	1003
+C(C)CN(CCC)c1c2n(c(Cl)nc2c(cc1)Br)C	1088
+CCCn1cncc1CO	4329
+C1C=C(CC1)c2ccc([N+]([O-])=O)c(NC(=O)N(C)CCC)c2	2016
+C(N(C)c1nc(Cl)cc(c1)C(=O)OC)CC	43
+FC(F)(F)c1n(C)nc(-c2c(F)cc(c(N(CCC)C)c2)[N+]([O-])=O)c1Cl	34
+c1cc(ccc1C(=O)N2CC(N(C)CCC)CC2)I	1499
+CCCNC1CCc2ncsc2C1	2190
+c1cc(ccc1)N2CCN(CC2)C(=O)NCCCCN(CCC)C3CCc4c(C3)scn4	61
+c1(NCCC)nc(ncc1I)Nc2cccc(c2)F	55
+c1cc(ccc1C#N)Nc2ncc(I)c(NCCC)n2	55
+c1c(C)c(c(cc1)C)NC(=O)OCCC	90
+O(C(Nc1cccc(NC(C=C(OC)C)=O)c1)=O)CCC	90
+C(COC(n1c2c(cc1-c3cnn(C)c3)cnc(Br)c2)=O)C	1825
+CCCOc1ccnc(O)c1C	8187
+N(=[N+]=[N-])Cc1ncc(OCCC)c(O)c1	4454
+c12c(C(C(=O)N=C1O)=CNCc3cc(c(OCCC)cn3)O)cc(cc2)Br	8188
+CCCOc1c(O)cc(CCl)nc1	512
+CCCOc1ccnc(S)c1C	4455
+c1cc(ccc1)Cn2c(cc(OCCC)n2)C(OC)=O	309
+C(O)(c1ccc(cc1F)Br)CCC	8189
+c1cc(ccc1OC)CN2CCCC(C(=O)CCC)C2	4456
+c1ccccc1COc2c(OC)ccc(c2)C=C(CC)[N+]([O-])=O	1734
+C(c1ccnc(c1N)C(=O)OCC)CC	1735
+CCCc1nccc(C=O)c1OCOC	4457
+N(c1cc(Cl)c(F)cc1)=Cc2ccnc(c2O)CCC	457
+CCCC1CCCNC1	8190
+CCCc1ccnc(c1)C(=O)N	1200
+CCCc1c(c(ccn1)C=O)O	2942
+O=S(=O)(Cl)c1cc(-c2nc(c3c(nn(c3n2)CCC)C)O)c(OCCC)cc1	240
+CCCn1cnc(CO)c1	1125
+Clc1cc(N)c(cc1)SCc2ncn(c2)CCC	8191
+CCCn1cnc(CCl)c1	1736
+C(C)OC(c1c2c(ccn2CC)c(Cl)nc1)=O	557
+c1(OCC)c(cc(cc1F)Br)OCC	4458
+c1cc(C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O)cc(c1OCC)OCC	4458
+c1(C(=O)OCC)c(C)cc(cc1OC)Br	1735
+c1c(c(OC)c(OCOC)c(c1)Br)OCC	116
+c1(c2c(ccc(OC)c2)c(Cl)nc1)OCC	788
+CC(C)(C)OC(N(C1CCN(c2c3c(ncc2)n(COCC[Si](C)(C)C)c4cnc(cc34)C#N)C1)CC)=O	2802
+Cc1n(C2=CC(=O)N(CC)C=C2)c(nc1C#Cc3cccc(Cl)c3)C	3477
+Cc1n(C2CCCCO2)nc-3c1C(N(c4ccc(cc-34)I)CC)=O	8192
+c1(OCC)cc(C)c(Br)c(C)n1	3761
+c1(NC(C)=O)c(c(CC)c(Cl)cc1)F	4453
+Clc1cc(c(N)cc1)C(=O)c2c(OCC)c(ccc2)OC	116
+C(C)N(CC)CC(C)N1c2ccc(Cl)cc2Sc3ccc(cc13)C#N	183
+FC(F)(F)C(c1ccc(c2nc3N(CCCn3c12)c4c(Cl)cc(Cl)cc4)Cl)OCC	481
+FC(F)(F)C(c1c2c(n(c1C)CC)cc(cc2)OC)=O	557
+FC(F)(F)c1cc(ccc1C#N)N(CC)C2CC(CCC2)N	2457
+FC(F)(F)c1cc(C=2C(C(=CN(CC)C=2C)C(NCc3ccc(cc3)S(=O)(=O)C)=O)=O)ccc1	8193
+FC(F)(F)c1cc(ccc1)N2N=C(c3ccnn3-c4ccccc4)C(C(OCC)=C2)=O	8194
+FC(F)(F)c1cc(ccc1)Nc2c3ncn(CC)c3nc(Cl)n2	8195
+FC(F)(F)c1cc(-c2nc(C#N)c3ncn(CC)c3c2)ccc1	1519
+FS(F)(F)(F)(F)c1ccc2c(c(cn2CC)CN3CCN4C(=CC=C(n5cc(nc5)C)C4=O)C3=O)c1	557
+CCN1C(CCNc2c1cccc2)=O	727
+Nc1c(c(cc(c1)C(=O)OC)OCC)I	116
+O(C)c1ncc(OCC)c(I)c1	788
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(OCC)cc3)C1=O)N(c4ccc5nc(oc5c4)C)C	116
+O=S(=O)(C)c1ccc(cn1)Oc2cc3cc([nH]c3c(OCC)c2)C(OC)=O	788
+O=S(=O)(CC)c1cc(F)c(cc1)Br	2456
+O=S(=O)(c1c(cc2c(c1)C(CNC(N3CC(=C(CC)C3=O)C)=O)CCO2)OCC)N	116
+CC1(C)CN(c2cc(c(cc12)Br)S(=O)(=O)CC)C(C)=O	2456
+C1CN(CCN1CC)c2n(ccn2)S(=O)(=O)N(C)C	183
+c1c(OC)ccc2c(C#N)cn(CC)c12	557
+c1(C)nc(OC)ccc1N2CCCn3c2nc4c(Cl)ccc(C(CC)OCC)c34	481
+c1(F)cc(cc(F)c1)OCC	116
+Fc1c(OCC)cccc1	116
+c1(I)c(F)cc(OC)c(OCC)c1	116
+C1C(CCCN1CC)CCn2c(OC)nc3c2nc(nc3N)OC(CCC)C	183
+c1([N+]([O-])=O)cc(OCC)ccc1C	116
+c1(cccc(OCC)c1Br)C(=O)C	116
+O=C(O)C(CC)c1ccccc1I	434
+O=Cc1cc2c(OC(C)C(=O)N2)c(c1)OCC	116
+c12c(ccc([N+]([O-])=O)c1)n(CC)nc2OC	2437
+c1([N+]([O-])=O)cc(OCC)c(I)cc1	116
+c1(C=O)cc(c(F)cc1)OCC	116
+c1(cc(cc(C)c1-n2c(c(Cc3c4c(ccc3OCC)cccc4)c(CC)n2)CC)Br)C	116
+c1(cc(N(CC)C(C)=O)ccc1)-c2nnc(cc2)Cl	727
+c1(C=O)cc(OCC)c(cc1)[N+]([O-])=O	116
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(COCC)cc(Br)c2	481
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(OCC)cc(c2)Br	116
+c1(c2[nH]ccc2ccc1)OCC	788
+CCn1c2ccccc2c(c1)C(OC)=O	557
+O(CC)c1ccc(C(=O)C)c(c1)O	116
+C(C)OC(c1cccc(F)c1C)=O	1735
+c1c(Br)c(Cl)ccc1C(=O)OCC	1735
+c1c(C)c(c(cc1)C)COc2cc(ccc2)C(CC)C(OCC)=O	434
+c1c(C)c(c(cc1C(OCC)CC)C)-n2nc(c(Cc3c4c(ccc3OCC)cccc4)c2CC)CC	481
+c1c(F)c(N)cc(OCC)c1Br	116
+c1c(O)cc(OCC)cc1CO	116
+c1c([N+]([O-])=O)cc(OCC)cc1C(=O)OC	116
+[O-][N+](c1cc(cc([N+]([O-])=O)c1)N(C(C)=O)CC)=O	727
+c1c-2c(C(CC)c3c(cccc-23)C)c(C)cc1C	8196
+c1c(cc(OCC)c(Cl)c1)Br	116
+C(C)N(CC)CC(N1c2c(Sc3c1cc(cc3)C#N)cccc2)C	183
+c12c(cccc1Br)ccn2CC	557
+C(OC1COCC1Oc2c(OC)ccc(C#N)c2)C	481
+c12ccc(OCC)cc1cc(cc2)OC(CC)C(=O)OC	116
+c1cc(ccc1)-c2cn(c3ccc(cc23)[N+](=O)[O-])CC	557
+c1cc(ccc1)COC(N2CC(OCC)C(Nc3c(ncc(CC)n3)CC)C2)=O	481
+c1cc(ccc1)COC(=O)N2CCC(CC2)CCCCC(=O)OCC	939
+c1cc(ccc1)N(CCOC)C(=O)C2=C3N(C=Cc4cc(sc34)CC)C(C(c5ccc(cc5)OCc6ccccc6)=C2)=O	8197
+c1cc(ccc1)OC(N2CCC34C(C2Cc5ccc(OCC)cc35)CCOC4)=O	116
+c1cc(ccc1-c2n(CC)c(cc2)C#N)NS(=O)(=O)CC	4459
+c1cc(ccc1Cl)-c2n(CC)ccc2C	4459
+c1cc(ccc1-c2c(Br)cn(CC)n2)[N+](=O)[O-]	1717
+c1cc(ccc1Cn2c3c(cccc3nc2SCC)C(=O)OCC)-c4ccccc4-c5[nH]nnn5	8198
+c1cc(ccc1Br)-c2nn(CC)cc2	1717
+c1cc(ccc1-c2noc(C)n2)N=C(C(SC)=NC(OC)=O)c3ccc(OCC)c(OC)c3	116
+c1cc(ccc1C(=O)N2CC(CC2)OS(=O)(=O)C)Cc3n(CC)c4ccccc4n3	1519
+c12c(cccc1)C(=O)N(C2=O)CCCN(CCc3ccc(cc3)Cl)CC	183
+c1cc(ccc1Cl)Nc2nc(Cl)nc3n(cnc23)CC	8199
+c1cc(ccc1F)Cc2cc3N(CC)C(C(=C(c3nc2)O)C(=O)OCC)=O	8200
+c1cc(ccc1SCC)O	4460
+O=S(=O)(c1ccc(cc1)C)N(CC)c2ccc(cc2[N+](=O)[O-])F	8201
+c1cc(ccc1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC)[N+]([O-])=O	183
+c1cc(ccn1)-c2sc(c(c2)NCC)C(OC)=O	8202
+c1cn(c2cccc([N+]([O-])=O)c12)CC	557
+c1ccccc1CN(Cc2ccccc2)c3c(F)c(-c4nn(cc4-c5ccncc5)CC)c(F)cc3	1717
+c1ccccc1COC(N(C)Cc2cc3ccccc3n2CC)=O	557
+c1ccccc1COC2=C(C(OCC)C)OC(C)=CC2=O	8203
+c1ccccc1COCCCOc2ccc3c(OC(C(=O)OCC)(CC)CC3)c2	8204
+c1ccccc1COc2cc(cc(OCC)c2Br)-c3ncc(o3)C	116
+c1ccccc1COc2cccc3c2nc(cc3C(OCC)=O)C	1735
+c1ccccc1COc2ccc(cc2)N3C(N(c4cccnc34)CC)=O	8205
+c1cc(ccc1)Cn2cnc3N(C(=O)N(C(c23)=O)CC)CCCC	8206
+c1c2n(CC)cc(c2ccc1OCC)C#N	116
+CCN1C(=O)C(=C(N=C1C)N2CCc3c(CC2)sc(N)n3)[N+]([O-])=O	8207
+n1cc(Br)cc(OCC)c1	788
+CCOc1cccnc1O	788
+C(CNCC)C(OCC)=O	1340
+CN(C)c1ccc(cc1)CNCC	42
+C[Si](C)(C)CCOCn1cc(C(=O)NC(CC(NCC)=O)C)c2c1ncc(C3CC3)n2	9
+COc1c(F)c(c(c(OC)c1)F)N(Cc2cnc(Cl)cc2Cl)C(NCC)=O	3638
+c1cc(ccc1F)-c2c3c(ncnc3sc2)OCCCOc4cc(ccc4)NC(=O)NCC	675
+ClC1(Cl)C(C(NCC)=O)(C)C1	68
+Clc1cc(C(NCC)=O)c(Cl)cc1	93
+Clc1cc(c(cc1)C(=O)O)NCC	205
+CCNc1ccncc1[N+](=O)[O-]	105
+FC(F)(F)C(c1cn(nn1)Cc2cc3cc(C(=O)NCC)c(n3cc2)-c4ccc(cc4)F)(O)CC	56
+FC(F)(F)C(CNc1cc(C)cc2n(ncc12)-c3ccccc3)(O)CNCC	122
+FC(F)(F)c1cc(c(cc1)-c2c(OC)ccc(CC(OCC)=O)c2)CNCC	42
+FC(F)(F)c1cc(c(-c2cc(CC(=O)OC)ccc2OC)cc1)CNCC	42
+FC(F)(F)c1cc(c(-c2c(ccc(CC#N)c2)OC)cc1)CNCC	42
+FC(F)(F)c1ccc(c(CNCC)c1)-c2c(ncc(Br)c2)OC	42
+FC(F)(F)c1c(NC(=O)c2c(nccc2)NCC)c(Cl)nc(C)c1	70
+FC(F)(F)c1cc2c(nc3c(C(N(C3)CC)=O)c2Cl)cc1	2943
+FC(F)(F)c1cc(CNCC)c(cc1)Oc2cccc(CC(=O)OC)c2	42
+FC(F)(F)c1ccc2c(nc(-c3c(SCC)cc(cc3)Cl)nc2NCC)c1	40
+FC(F)(F)c1nc(Cl)c(c(NCC)n1)[N+]([O-])=O	40
+C1CC(CCN1Cc2ccccc2)(C#N)NCC	8208
+CCNc1c(C#N)c(O)nc(C)c1	105
+N#Cc1ccccc1Nc2nn3c(n2)cnc(-c4cccc(C(NCC)=O)c4)c3	14
+N(c1c(C)cccc1Cl)CCCNCC	1130
+c1(c(N)c(C(NCC)=O)ccc1)F	1338
+C1COC2(CCC(CC2)NCC)O1	87
+n1cc(c(c(Br)c1)C)CNCC	249
+c1(c(-c2c(CNCC)cc(-c3ccc(nc3)OCC)cc2)cc(cc1)CC(=O)OCC)OC	42
+Clc1cc2Sc3c(cc(C#N)cc3)N(C(C)CNCC)c2cc1	285
+O=S(=O)(C)c1cccc(c1)-c2ccc(-c3cc(nn3-c4c(cccc4)Cl)CC(NCC)=O)s2	248
+O=S(=O)(NCC)c1c(c([N+](=O)[O-])ccc1Cl)Cl	71
+O=S(=O)(c1ccc(F)c(c1)C(=O)O)NCC	71
+O=S(=O)(NCC)c1c(cccc1)[N+]([O-])=O	71
+O=S(=O)(Nc1ccc2COB(c2c1)O)c3ccc(cc3CC(=O)NCC)OC	9
+O=S(=O)(c1c(cc(c(C(O)=O)c1)F)F)NCC	3442
+c1c2c(N(C(CNCC)C)c3c(cccc3)S2)cc(C#N)c1	285
+c1ccccc1COC(NCCCCNCC)=O	285
+O=S(=O)(c1cccc(-c2nc(nc(NCCc3ccc(cc3)OC)c2)OC)c1)NCC	71
+O=S(=O)(C)c1ccc(c(c1)CNCC)O	42
+c1cc(ccc1S(=O)(=O)Nc2cc(nc(NCC)c2)NC)N	340
+c12nc(n(C3C(O)C(C(CO)O3)O)c1nc(I)nc2N)NCC	8209
+C(NCCCSc1ncco1)(NCC)=C[N+]([O-])=O	2063
+[N-]=[N+]=NCC(CN1c2nc(ncc2C=C(C1=O)c3c(Cl)cc(-c4nc(cnc4)C)cc3)NCC)O	785
+c1c(c(ccc1)[N+]([O-])=O)NCC	60
+c1(-c2csc(n2)-c3cnccc3C)cc(ccc1)C(NCC)=O	14
+c1(Cl)c(Cl)ncc(C(NCC)=O)c1	56
+c1(C)c(C(=O)NCC)ncc(c1)[N+](=O)[O-]	780
+c1(Cl)ncc(CNCC)s1	4461
+CCNc1ncccc1[N+](=O)[O-]	70
+c1(OC)cc(C(=O)O)cc(C2=Cc3c(cc(nc3)NCC)N(C2=O)CC)c1	70
+c1(NCC)c(cnc(Cl)c1Br)[N+](=O)[O-]	105
+c1(c(Br)cccc1C(NCC)=O)N	14
+c1([N+]([O-])=O)cc(-c2nccc(OC)c2)ccc1NCC	60
+c1([N+]([O-])=O)cc(C(=O)O)ccc1NCC	60
+c1([N+]([O-])=O)cc(N)ccc1NCC	60
+c1ccc(c(c1)Cl)C(=O)NCC	93
+c1(c2cc([N+]([O-])=O)ccc2[nH]c1)C=3CCC(CC=3)NCC	4462
+c1(F)cc(cc(F)c1)-c2c(cc(Cl)c(C)c2C(=O)NCC)C(O)C	14
+c1(ccc(C(NCC)=O)cc1O)[N+]([O-])=O	14
+Clc1c2c(nc3CN(C(=O)c13)CC)cccc2	2943
+c12c(cc(C)c(Cl)c1)OC(C3=C2CCN(CC(C)NCC)C3)=O	87
+c1(c([N+]([O-])=O)cc2c(ncnc2c1)O)NCC	8210
+c12c(nc3ccc(cc3c1Cl)C#N)CN(C2=O)CC	2943
+c1c(C)c(c(cc1C)C)Oc2nc(cc(NCC)c2C)C	105
+c1c(C)nc(CNCC)cc1	294
+c1c(F)c(c(cc1)F)Cc2c(N(CC(=O)NCC)S(=O)(=O)c3cc(OC)c(OC)cc3)c(OC)ccc2	9
+c1c(CNCC)c(C)c([N+]([O-])=O)cc1	3550
+c1c(cc(c(I)c1)CNCC)Br	42
+c1c(ccc(Sc2cc(C(NCC)=O)ccc2[N+]([O-])=O)c1F)F	93
+c1cc2-c3c(CCOc2cc1C(NCC)=O)cc(C(N(c4c(Cl)cccc4)C)=O)s3	513
+c1(ccc(Cl)nc1NCC)C(=O)O	70
+c1cc(c(cc1I)NCC)C(=O)O	60
+c1cc(cc(-c2ccc([N+]([O-])=O)cc2CNCC)c1OC)CC(OCC)=O	42
+c1cc(cc(-c2ccc(-c3cnn(C)c3)cc2CNCC)c1OC)CC(OCC)=O	42
+c1cc(cc(-c2ccc(cc2CNCC)F)c1OC)CC(OCC)=O	42
+c1ccccc1-c2cccc(C(NCC)=O)c2	513
+c1cc(ccc1)-c2nc(-c3c(ccc(CCCN)c3)Cl)nc(OC)n2	8211
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5cc(Cl)ncc5c(NCC)n4	8212
+c1ccccc1COc2c(C(C)C)cc(-c3onc(c3)C(NCC)=O)c(OCc4ccccc4)c2	780
+c1cc(ccc1)Nc2c(C(=O)NCC)cnc(NC(NCC)=O)c2	56
+c1cc(ccc1C(NCC)=O)F	93
+c1cc(ccc1C(C)C(NCC)=O)I	9
+c1cc(ccc1C#CCc2ccc3C(C)(C)CCC(C)(C)c3c2)C(=O)NCC	93
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(-n4nnc(CCNCC)c4)c3)ccc1F)F	463
+c1cc(ccc1)C(C)(C)C(NCC)C(=O)O	4024
+c1cc(ccc1)C2(C=CCC=C2)CC(C)NCC	87
+c1ccccc1COc2c(C(=O)NC(C(O)C)C(=O)NCC)ccc([N+]([O-])=O)c2	9
+c1nc(ccc1C#N)NCC	340
+c1nc(ncc1C(NCC)=O)N2CC(Oc3ccccc3OCC)CCC2	484
+n1c(c(ccc1OC)N(C(=O)c2cccnc2NCC)C)Br	70
+CCNc1c(cccn1)-c2cscc2Br	182
+C(Nc1c(c(ncn1)N)C#N)c2c(cc3c(F)cccc3n2)CN(C)CC	40
+CCN(CC)CCCc1c(ccc(N)c1)Cl	15
+Oc1nc(-c2cc(c(OC)cc2)F)cc3cc(ccc13)OC	8213
+C(C)N(CC)C(=O)c1c(c2c(c(-c3ccc(cc3)OC)c1)cccc2)OC	11
+CCN(CC)C(=O)CCc1c(ccc(c1)N)Cl	1320
+C(C)N(CC)C(=O)CN(c1ccc(cc1)C)S(=O)(=O)c2ccc(cc2OC)C	8214
+C(C)N(CC)C(C(C#N)=Cc1cc(c(c(OC)c1)O)[N+]([O-])=O)=O	2204
+CCN(CC)c1nsc(N)c1C#N	8215
+CCN(CC)C(NC1CN(C2CC3CNc4cc([N+](=O)[O-])cc(C2C1)c34)C)=O	3592
+CCN(CC)C(NC1CN(C2C(c3cc([N+](=O)[O-])cc4n(cc(C2)c34)C(=O)C)C1)C)=O	2917
+CCN(CC)C(NC1CC2c3c4c([nH]cc4CC2N(C)C1)cc([N+](=O)[O-])c3)=O	8216
+CCN(CC)C(=O)Nc1c(-c2[nH]c3c(cc(NCCN(C)C)c(F)c3)n2)[nH]nc1	747
+C(C)N(CC)C(c1c([nH]c2ccccc12)C(=O)NN)=O	2944
+CN(C)CCc1nc(c2c(occ2)c1)O	8217
+CCN(CC)C(=O)c1cc(NC(Cc2ccc(cc2)OCC)=O)c(nc1)N	8218
+C[Si](C)(C)C#Cc1cc(-c2n[nH]c(c2C)C(=O)N3CC(N(CC)CC)CC3)ccc1	263
+CCN(CC)C1CN(C(=O)c2c(c([nH]n2)-c3cc(C#Cc4ccc(F)c(c4)Cl)ccc3)C)CC1	129
+c1cc(ccc1C#Cc2cccc(-c3c(C)c(C(N4CC(N(CC)CC)CC4)=O)n[nH]3)c2)Cl	129
+CCN(CC)C1CCN(C(c2c(C)c([nH]n2)-c3cc(ccc3)Br)=O)C1	147
+CCN(CC)CCOc1c(Cl)cc(Cl)c(c1)-c2c3c(sc(C#N)c3)nc(N)n2	8
+c1cc(ccc1CNCCN(CC)CC)Cl	132
+C(C)N(CC)CCCC(Nc1ccn2c(c(-c3cccc(Cl)c3)cn2)n1)C	2673
+c1cc(ccc1)-c2cc(NC(C)CCCN(CC)CC)c3c(cccc3)n2	105
+CCN(CC)CCCC(C)Nc1nc2n(ncc2Br)cc1	2447
+c1ccccc1-c2cc3c(C(C(=O)N3)=Cc4[nH]c(c(C(=O)NCCCN(CC)CC)c4C)C)cc2	292
+CCN(CC)CCCNC(=O)c1c(c(C=C2C(=O)Nc3ccc(cc23)Br)[nH]c1C)C	292
+C(C)N(CC)CCCOc1ccc(c(F)c1)[N+]([O-])=O	126
+C(C)N(CC)CCCOc1ccc(cc1)[N+]([O-])=O	57
+CCN(CC)CCCc1c(Cl)ccc(NS(=O)(=O)c2ccc(cc2)Oc3c(C#N)c(Cl)ccc3)c1	69
+O=S(=O)(c1ccc(F)cc1CCCN(CC)CC)Nc2ccc3c(ncc4occc34)c2C(=O)O	1
+c1cc(ccc1Cl)-c2c3C(C(Nc3ccc2)=O)=Cc4c(C)cc([nH]4)C(=O)NCCN(CC)CC	292
+CCN(CC)CCNC(=O)c1[nH]c(C=C2c3c(cccc3NC2=O)-c4cc(ccc4)Br)c(c1)C	292
+c1cc(ccc1F)-c2c3C(=Cc4c(c(c[nH]4)C(=O)NCCN(CC)CC)C)C(=O)Nc3ccc2	292
+O=S(=O)(C)c1cc(C2=NC(c3ccc(Cl)cc3S2)=O)nc(c1)CCC(OCCN(CC)CC)=O	27
+CCN(CC)CCOc1c(Cl)cc(c(-c2c3c(nc(n2)N)sc(-c4[nH]nnn4)c3)c1)Cl	8219
+CCN(CC)CCOc1c(Cl)cc(c(c1)-c2c3c(sc(c3)CO)nc(n2)N)Cl	2842
+CCN(CC)CCOc1ccc(cc1)C(N)CCC	474
+CCN(CC)CCOc1ccc(cc1)C(NC(=O)CC#N)CCC	9
+CCN(CC)CCOc1ccc(cc1)C(NC(C(C#N)=Cc2nc(Br)ccc2)=O)CCC	4463
+O(C)c1c(F)c(c(F)c(OC)c1)-c2c3c(nccn3)c(C(=O)Nc4[nH]c(CN(CC)CC)cn4)cc2	8220
+C(C)N(CC)Cc1sc(-c2nc(-c3c(cc(O)cc3)OC)no2)cc1C	4464
+C(C)N(CC)Cc1sc(cc1C)-c2nc(no2)-c3cc(c(c(c3)C)N)Cl	4464
+c1cc(ccc1S(=O)(=O)NCCO)-c2nc(-c3sc(CN(CC)CC)c(C)c3)on2	8221
+O=S(=O)(C=1C=CC=2N(C=1C)C(=O)NN=2)N(CC)CC	8222
+C1CCCN1c2cc(nc(n2)N(CC)CC)NCCNC3=C(C(C3=O)=O)Nc4ccc(cc4)Cl	3626
+C(C)N(c1cc(NC(C)=O)c(N=Nc2ccc([N+]([O-])=O)cc2OC)cc1)CCO	725
+COc1nc(N(Cc2sc(Cl)nc2)CC)c(Cl)cc1	91
+CCN(c1c([N+]([O-])=O)cc(F)c(Cl)c1)C(C)=O	77
+CCN1C(C(Br)=Cc2cnc(S(C)=O)nc12)=O	172
+O=S(=O)(c1ccc(C=2C(=O)N(CC)c3nc(SC)ncc3C=2)c(c1)C)N(C)C	1597
+O=S(=O)(C)c1c(C2=Cc3c(nc(nc3)SC)N(C2=O)CC)cccc1	1597
+N1c2c(N(CC)CCC1)cccc2	15
+O=S(=O)(c1c(CNC(C2CCN(CC)C2)=O)cc(cc1)F)Nc3ccc4c(c3C(=O)OC)OCC5CC45	9
+N1(CCCC1CNC(=O)c2c(OC)c(Br)cc(c2OC)Cl)CC	14
+c1cc(ccc1C(=O)NCC2CCCN2CC)Cn3c4ccccc4nc3Cc5c(cccc5Cl)Cl	14
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCCN5CCN(C(=O)C5)CC)CC2	8223
+c1([N+]([O-])=O)ccc(N2CC(N(CC2)CC)=O)c(F)c1	3518
+c1cc(ccc1)OC(Nc2cc(c(cc2F)F)C3=Cc4cnc(NC(CC#N)=O)cc4N(C3=O)CC)=O	90
+CCN1c2nc(F)ccc2N(C)C(c3c1ncc(c3)CCOc4cc[n+]([O-])c5c4cccc5)=O	924
+O=S(=O)(c1cc2c(OCCC2CNC(N3CC(=C(CC)C3=O)C)=O)cc1OCC)NC(=S)NCC	8224
+c1cc(ccc1SC(CC)C)OCCOC(=S)NCC	8225
+COc1nnc(-n2nc(cc2-c3ccc(cn3)C#N)C(=O)N(C)CC)cc1	147
+c1cc(CN(CCCn2c3c4c(cccc4)nc(N)c3nc2CCCC)CCCN(CC)C)cc(CC(OC)=O)c1	53
+c1c2c(ccc1)C(=O)N(C2=O)Cc3nc4cccc(c4cc3CN(C)CC)F	565
+c1cc(ccc1)Nc2c(C(=O)OCC)cnc(NC(=O)NCC)c2	2077
+c1sc(nc1-c2cnn(C)c2)-c3c(cnc(NC(NCC)=O)c3)Br	8226
+c1c(OC)cc(cc1-c2c(sc(NCC)n2)-c3nc(ncc3)Cl)OC	4465
+CCNC1CCc2ncsc2C1	2190
+c1ccccc1-c2cc3c(nc(-c4ccccc4)cn3)c(c2O)C(=O)NCC(OCC)=O	2485
+c1cc(ccc1)-c2c(nc3ccc(c(C(NCC(=O)OCC)=O)c3n2)O)NCc4ccccc4	2485
+CCN(N)C(Nc1sc(C)nn1)=O	2551
+Clc1cc(ccc1)NC(=O)N2Cc3c(CC2)[nH]nc3C(N(OC)CC)=O	1006
+c12n(cnc1c(Cl)ncc2)CC	919
+CCNc1c(N)c(Cl)ncc1	13
+CCNc1ccnc(Cl)c1[N+](=O)[O-]	4466
+CCNc1c(N)cccn1	13
+COc1cc(Cl)c(cc1Br)C(=O)O	329
+C(Cc1c2ccc(cc2oc1)OC)(OCC)=O	8227
+c1(c2CC(c3c(Sc2ccc1)ccc(OC)c3)=O)C(=O)O	329
+C(C)OC(c1c(ccc(OC)c1)Br)=O	47
+C(Cc1c([N+]([O-])=O)cccc1OC)(OCC)=O	2061
+Cc1c(COc2nnc(cc2)C(=O)OCC)c(no1)-c3cc(F)ccc3	2945
+Cc1c(cc2ccc(cc2n1)O)C(=O)OCC	342
+c1(C(=O)C)c(ccc(C)c1)OCC	126
+C(C)OC(c1c[nH]c(C(=O)C)c1)=O	4467
+Clc1cc(Cl)c(cc1)C2C(c3ccccc3C(=O)N2C4CCCCC4N)C(=O)OCC	456
+Clc1cc(c(C)cc1)C(=O)OCC	1533
+Clc1cc(ccc1)Nc2nc(-c3cc(ncc3)C(=O)O)ncn2	1696
+Clc1ccc(Cl)c(c1)CC(=O)O	270
+Clc1ccc2SCCC(C(OCC)=O)c2c1	27
+Clc1cccc(-c2cccc3NC(=O)Cc23)c1	1052
+Clc1cn(nc1)-c2ccc(C(C)C(OCC)=O)cc2Cl	27
+n1c(cccc1OCC)N	91
+CCOC(=O)c1ccnc(Cl)n1	226
+C1CCCCC1Cn2c3c(cccc3Cl)c(C(O)=O)c2	4468
+FC(F)(F)C(C)CCC(O)=O	270
+FC(F)(F)C(F)(F)c1ccc(cc1)C(=O)O	329
+FC(F)(F)C1Oc2c(COCC)cc(C)cc2C=C1C(=O)OCC	8228
+FC(F)(F)CC(C)(C)CC(=O)O	270
+FC(F)(F)Cn1c2c(c(C(O)=O)c1)c(ccc2)Cl	4468
+FC(F)(F)Oc1cccc(c1)C(=O)OCC	47
+FC(F)(F)Oc1cc(cc(Cl)c1)CC(OCC)=O	27
+FC(F)(F)Oc1ccc(cc1)-c2cc(CC(O)=O)n(n2)C	270
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C3CCCCC3)n2)Cc4ccc(cc4)C(=O)O	329
+FC(F)(F)c1cccnc1OCC	91
+FC(F)(F)c1ccc(cc1[N+](=O)[O-])C(OCC)=O	47
+FC(F)(F)c1cc(-n2c(C)ccc2C)c(nc1OCC)C(OC)=O	2055
+FC(F)(F)c1cc(C(=O)O)cnc1N2CCOCC2	2160
+FC(F)(F)c1cc(C(C(OCC)=O)CC(C)C)ccc1[N+]([O-])=O	27
+FC(F)(F)c1cc([N+](=O)[O-])c(Cl)c(C(=O)OCC)c1	279
+FC(F)(F)c1cnc2sc(-c3ccncc3OCC)nc2c1	870
+FC(F)(F)c1ccc(cc1)-c2nn(C)c(CC(O)=O)c2	270
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)CC(O)=O	8229
+FC(F)(F)c1ccc(cc1)CNC(c2c(ccc(CC(O)=O)c2)OC)=O	4308
+FC(F)(F)c1cc(ccc1)N2C(C(C(OCC)=O)CC2)=O	8230
+FC(F)(F)c1cccc(c1)Nc2nc(-c3ccnc(C(=O)O)c3)ccn2	1696
+FC(F)(F)c1c(Br)c(ncn1)OCC	145
+FC(F)Oc1c(ccc(c1)CC(OCC)=O)Cl	27
+FC(F)Oc1ccc(CC(OCC)=O)cc1OC	27
+Fc1cc(c(F)cc1C)C(OCC)=O	47
+O=C(OCC)Cc1ccccc1F	27
+CCOC(c1cc(I)c(O)nc1)=O	342
+CCOc1c(C#N)cc(c(C)n1)[N+](=O)[O-]	91
+Clc1c(C(=O)O)cc(Br)c2c1CC(C)O2	329
+N1(C(=O)C)c2cc(C)cc(C)c2C(CCC(OCC)=O)C1	456
+CCOC(c1cccnc1N)=O	342
+c1(cc(Cl)c(N)cc1OC)C(=O)OCC	47
+C(Cc1ccc(N)cc1F)(OCC)=O	456
+C(C)OC(c1c(ccc(N)c1)O)=O	47
+Nc1cc(OC)c(cc1F)C(=O)O	329
+C(C)OC(=O)c1ccc(N)c([N+]([O-])=O)c1	1533
+Nc1cccc(c1C(=O)OC)F	8231
+CCOC(=O)c1c(N)cccn1	226
+O=C(O)C1CC=C(CC1)c2ccc(c3OCCOc23)OC	270
+S1c2cc(ccc2C=Cc3c1ccc(F)c3)C(=O)O	329
+c1(-c2cn(Cc3ccccc3Cl)cn2)nccc(C(=O)O)c1	329
+c1cc(cc(Oc2c(CC(O)=O)cccc2)c1)F	270
+c1(c(c(C)ccc1)OCC(=O)O)COCCCNc2ccc3c(cccc3)n2	270
+c1(c2ccc(cc2c(nn1)Cc3ccc(c(c3)C(=O)O)F)Br)O	329
+c1(c2cccc(Cl)c2c(nn1)Cc3ccc(c(c3)C(=O)O)F)O	329
+C(c1ccnc(N2NC=C(c3cnccc3)C2=O)c1)(=O)O	329
+C(c1cc2c(cc1)c[nH]n2)(=O)O	329
+c1c(Cl)c(Oc2c(cccc2)C(=O)O)ccc1Cl	329
+c1(F)cc(cc(F)c1)Oc2cc(cc(c2)C(=O)O)OC(COC)C	329
+c1c(c(Nc2cc(C(=O)O)ccc2[N+]([O-])=O)ccc1F)F	329
+c1c(ccc(c1Cl)Cl)CCCC(=O)O	270
+C(c1ccc(Cl)c(c1)C(=O)O)C(=O)O	270
+c1cc(ccc1)-c2c3c(no2)cc(cc3)CC(=O)O	270
+c1ccccc1C(c2ccccc2)N3CC(C3)(C(O)=O)NCc4ccccc4	270
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)C(c4cc(F)cc(c4)C(=O)O)C(C)(C)F	329
+c1cc(ccc1)COc2c(ccc(CC(O)=O)c2)Cc3ccc(cc3)CC	270
+c1ccccc1Cc2ccccc2CC(=O)O	270
+c1cc(ccc1)Oc2c(c(CC(O)=O)ccc2)OC	270
+c1cc(ccc1C(C2CCC2)=O)CC(O)=O	270
+c1cc(ccc1Sc2c(nc(N)nc2C)NCCCC)CC(O)=O	270
+c1cc(ccc1CN(C)CCc2cnn(-c3nccc(C(=O)O)c3)c2)F	329
+c1cc(ccc1Cl)Cn2c3c(nc(C(=O)O)nc3nc2-c4c(ccc(C)c4)OCCC=C)NC(C)C5CC5	8232
+c1cc(ccc1)-c2c(c(C(O)=O)ccc2)F	329
+c1ccccc1-c2ccnn2-c3cc(ccn3)C(O)=O	329
+c1cc(ccc1)C(CC(O)=O)Cc2cccc(OC)c2OC	270
+c1ccccc1C(c2cc(ccc2)OC)CCC(O)=O	270
+c1ccccc1CCOc2ccc(cc2CCCC(=O)O)Cl	270
+c1ccccc1COc2ccc3c(cc(cc3)C(=O)O)c2	329
+c1cc(ccc1)COc2nn(Cc3ccccc3)cc2CC(=O)OCC	2418
+c1ccccc1Nc2cnc(cc2)C(O)=O	1696
+c1ccccc1Sc2ccc(cc2CC(=O)O)F	270
+c1nc2Nc3cc(ccc3Sc2nc1)CC(O)=O	270
+C(c1nc(C)ccc1Cl)(=O)O	1696
+C(OC(CC(c1cccc(c1)F)=O)=O)C	4469
+Clc1cc(F)c(cc1)C(CC(OCC)=O)=O	4469
+O1c2c(ccc(C=3CCC(C(OCC)=O)CC=3)c2OCC1)OC	456
+c1(ccc(cc1Cl)NCC(=O)OCC)Cl	27
+CCOC(c1cc(c(F)c(F)c1F)F)=O	47
+CCOC(=O)c1cc(c(c(OC)c1F)F)F	47
+CCOC(c1c(O)c(O)c(Br)cc1)=O	47
+O=C1CC(CC(=C1)OCC)c2ccccc2O	8233
+c1[nH]c2c(c1CCC(OCC)=O)cc([N+]([O-])=O)cc2	2198
+O=Cc1ccccc1OCC(=O)OCC	27
+c1(C)c(ncc(c1)[N+](=O)[O-])C(OCC)=O	4470
+c1(C)cc(ncc1[N+](=O)[O-])C(OCC)=O	4470
+c1cc(ccc1)C(C(=O)OCC)CC=C	1838
+c1ccccc1CCCN(Cc2cccc(c2)-c3cnc(C(=O)OCC)cc3)C	8234
+C(OCc1ccc(nc1)C#N)C	8235
+Cn1ncc2CCc3c(c(sc3C(=O)OCC)OCC)-c12	8236
+O=S(=O)(c1sc2ccc(cc2c1)CS(=O)CCN(C)C)N	8237
+c1(C(C(OCC)=O)C)ncccc1Cl	4471
+c1cc(ccc1)-c2c(c(on2)C)COc3ccc(nn3)C(=O)OCC	2945
+c1cc(ccc1-c2nnn(C)c2COc3ccc(C(=O)OCC)nn3)F	2945
+Oc1c(CNC(C(=O)OCC)CO)cccc1	27
+c1c(O)c(c(cc1C(=O)OCC)O)Br	47
+c1(OCC)cc(C)[n+]([O-])c(Br)c1	1210
+[N+](c1cc(c(F)cc1F)CC(=O)OCC)([O-])=O	27
+CCOC(=O)c1n[nH]cc1[N+](=O)[O-]	226
+C(C)OC(=O)c1cc(nc(Cl)c1)N	47
+c1(C)cc(C(OCC)=O)cnc1N2CC(C)NCC2	342
+c1(CCC)c(O)c(cc2c(NCC)cc(nc12)C(=O)OCC)C(=O)C	226
+O(c1c(c(C)c(Cl)nn1)C)CC	485
+n1c2c(cc(c(F)c2)F)c(O)c3c(C)nn(-c4ncccc4)c13	8238
+c1([N+]([O-])=O)cc(c(Cl)cc1F)CC(OCC)=O	27
+Clc1ccc(Nc2c3cc([N+]([O-])=O)c(OCC)cc3ncn2)c(F)c1Cl	724
+c1c(c(cc(c1)Nc2c3cc([N+]([O-])=O)c(OCC)cc3ncn2)Cl)OCc4cccc(F)c4	724
+c1ccc(cc1C#C)Nc2c3cc([N+]([O-])=O)c(OCC)cc3ncn2	724
+C(Cc1c(Cl)ccc([N+]([O-])=O)c1)(OCC)=O	27
+C(C)OC(c1ccc([N+]([O-])=O)cn1)=O	226
+C(C)OC(c1cnc2c(ccc([N+]([O-])=O)c2)n1)=O	1910
+CCOC(c1[nH]nc(c1)[N+](=O)[O-])=O	226
+C(C)c1c(cccc1)CC(=O)O	4472
+c1(c(F)c(-c2cccc3NC(=O)Cc23)ccc1)F	1052
+c1(c2c([nH]c3c(nc(Cl)nc23)OCC)cc(c1)Br)OC	3717
+c1c2c(ccc1O)c(ccc2)C(=O)OCC	47
+C(C)OC(c1cc(c(N)cc1[N+]([O-])=O)O)=O	47
+c1(cc(cc(C)c1[N+](=O)[O-])COCC)C	149
+c1(cc(ccc1)O)C(NC)CC(OCC)=O	456
+c1cccc(c1OCCC)-c2nc(cc(n2)O)C(=O)OCC	226
+c1(cc2c(cc1O)OCCC2C(OCC)=O)Cl	27
+CCOC(c1cc[nH]c1)=O	342
+c1(ccc(c(c1F)F)C(OCC)=O)F	47
+C(C)OC(=O)c1ccc([N+]([O-])=O)cc1F	47
+c12c(nc(nc1OCC)N)nc[nH]2	3722
+c12c(c(ccc1C(=O)OCC)N)OCCO2	47
+c12[nH]cnc1ccc(c2)C(=O)OCC	47
+c12nc(nc(c1c(n[nH]2)SC)OCC)Cl	2557
+c1ccc2NC(=O)Cc2c1-c3cc(ccc3)Br	1052
+c12c(ccc(OCC)c1)CCC2CCNC(C)=O	126
+c12c3c(ccc1cccn2)c(cc(C)n3)OCC	260
+c1c2c(cccc2)cnc1OCC	91
+C1(Nc2cccc(-c3ccccc3F)c2C1)=O	1052
+c1c(Br)c(CC(OCC)=O)cc(O)c1F	27
+C(C)OC(c1cccc(O)c1C)=O	47
+CCOC(c1c(cccc1)Oc2cc(ccc2)F)=O	47
+c1c(Br)c(F)ccc1C(=O)OCC	47
+n1c2c(ncc1)cc(C)c(Br)c2	8239
+c1c(C)nc(cc1)-c2[n+]([O-])c(C)cc(OCC)c2	1210
+c1c(cc(C)c(c1)C(=O)OCC)Br	47
+C(=O)(Cc1ccc(c(c1)OC)Oc2c([N+](=O)[O-])c3c(nccc3)cc2)OCC	456
+c1c(cc2c(c1)nc(NC)nc2OCC)Br	145
+c1c(C(C)C(OCC)=O)ccc(N)c1[N+]([O-])=O	27
+C(C)OC(C=1Sc2ccc(cc2C(=O)C=1)O)=O	8240
+C(OC(CCc1cc(ccc1)O)=O)C	27
+C(OC(CCc1cc2c([nH]1)c(F)cc(c2)Br)=O)C	27
+c1c2c([nH]cc2CCC(OCC)=O)ccc1	27
+c1(OCC)c2n(c3ccccc3n1)ncc2C(=O)OCC	8241
+c1c2c(n[nH]c2CC(=O)OCC)ccc1	27
+c1c2c(oc1CCCCBr)cc(cc2)C(=O)OCC	47
+c1(ccc2cc(ccc2n1)O)C(=O)OCC	226
+c1(-c2cc(cc(-c3ncccc3)n2)OCC)ncccc1	260
+C(OCc1ccc(c(C#N)c1)OC)C	555
+c1cc(F)cc(-c2cccc3NC(=O)Cc23)c1	1052
+O(c1nc(NC)c(cc1)[N+]([O-])=O)CC	91
+c1cc(cc(c1OC)F)C2C(CC(=O)O)C2	4472
+c1ccccc1-c2cc3cccc3oc2CC(OCC)=O	27
+c1cc(ccc1)-c2ccc(C(C(OCC)=O)C)cc2F	27
+c1cc(ccc1)C(c2ccccc2)C3CCN(CC3)C(=O)COCC(=O)OCC	27
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)C(C(C)(C)F)c4cc(cc(c4)F)C(=O)OCC	47
+C1CN(CCC1(C(OCC)=O)Nc2cc(C)ccc2)Cc3ccccc3	27
+c1cc(ccc1)Cc2cnc(C(=O)OCC)cc2	8242
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3cccc(c3)C(C4CC4)CC(=O)OCC	2198
+c1cc(ccc1Cn2c3c(C(=O)OCC)cccc3nc2OCC)-c4c(C#N)cccc4	8243
+c1cc(ccc1F)-c2cccc3NC(=O)Cc23	1052
+c1cc(ccc1-c2c3c(ccn2)c(CC(OCC)=O)ccc3)[N+](=O)[O-]	27
+c1cc(ccc1-c2oc(-c3ccccc3[N+](=O)[O-])nn2)C(OCC)=O	47
+c1cc(ccc1Br)-c2c(CC(=O)OCC)c(C)no2	27
+c1cc(ccc1Br)C(C(=O)OCC)(N)C	27
+c1cc(ccc1C(C)OCC)C(=O)OC	2774
+c1cc(ccc1C(=O)c2ccc(OCC(=O)OCC)c(Cl)c2Cl)O	27
+c1cc(ccc1C(=O)OCC)C#N	47
+c1cc(ccc1Cl)C(CC(OCC)=O)c2c3cccc(CSCC)c3[nH]c2	2198
+c1cc(ccc1CC2(CC(OCC)=O)CCCN(C(C)=O)C2)C	4282
+c1cc(ccc1Br)CCc2c(C(=O)OCC)cccc2	8244
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(OCC)n3)OC	91
+c1cc(ccc1CN(Cc2n(ccn2)C)Cc3[nH]ccn3)CN(CCC(=O)OCC)CCCCN(CCC)CCC	456
+c1cc(ccc1-c2c3c(NC(=O)C3)ccc2)Cl	1052
+c1cc(ccc1F)-c2c(c(nc(c2C(OCC)=O)C(C)C)C(C)C)COCC	8245
+c1cc(ccc1-c2ccc3c(c(OCC)ncn3)c2)F	145
+c1cc(ccc1OCC)C(C2CCN(CC2)CC(O)=O)=O	57
+c1cc(ccc1F)C(c2ccc(cc2)F)(CCCBr)C(OCC)=O	204
+c1cc(ccc1CC(OCC)=O)I	27
+c1cc(ccc1N2CC(CC2=O)C(OCC)=O)F	27
+c1cc(ccc1Nc2ncnc3cc(OCC)c([N+]([O-])=O)cc23)Oc4ccccc4	724
+c1cc(ccc1O)CC(OC)C(OCC)=O	27
+c1cnccc1-c2c3CC(Nc3ccc2)=O	1052
+c1cc(ncc1Br)CNC(CCC(OCC)=O)=O	27
+CCOC(=O)c1n[nH]c2c1cccn2	226
+c1cc2c(c(OCC)c(C#N)cn2)cc1I	260
+c1cc(ccc1)C(c2ccccc2)(C(C(OCC)=O)O)C	4473
+c1ccccc1C=2CCN(CC=2)CCCCc3c[nH]c4ccc(cc34)C(=O)OCC	47
+c1cc(ccc1)CC(O)C(=O)OCC	27
+c1ccccc1CCCC(C(OCC)=O)C	27
+c1cc(ccc1)CN2C(C(OCC2=O)C)C(=O)OCC	27
+c1ccccc1CN2CCC(CC2)N(C)CC(OCC)=O	27
+c1ccccc1COCCC(C2OCCO2)CCCO	8246
+c1ccccc1COc2cnc(C(OCC)=O)cc2O	226
+c1cnccc1N2CCC(CC2)C(=O)OCC	27
+CCOC(=O)c1nn2C(=S)Nc3c(cccc3)-c2c1	226
+n1c(N)nn2cc(-c3cc(ccc3)C(=O)OCC)ncc12	47
+n1cccnc1-c2c(C(N3CC(CCC3C)Oc4cc(OCC)ccn4)=O)ccs2	2467
+c1cc(c(c(F)c1F)COc2cc(c(Cl)cc2OC)Nc3c(c(ncn3)OCC)[N+]([O-])=O)OC	145
+n1n2c(N)nnc2c(c(CC)c1OCC)C	485
+n1nccc(C(OCC)=O)c1N	342
+OB(O)c1cc2c(CCC2)cc1OC	3358
+c1cc(C(=O)OC)cc2OCCc3c(-c12)sc(c3)C(N(c4c(Cl)cccc4)C)=O	8247
+c1cc(ccc1)CN2CCC(CC2)(O)C(OC)=O	8248
+c1(C)cc(cc(C)c1C(C(=O)C)C#N)Cl	1260
+c1cc(ccc1)CN2C3CC(CC(OCC)=O)(CC2C(F)(F)C3)O	3601
+c1cc(ccc1C2C(C2)CC(=O)O)Br	4292
+c1nc(C(=O)C)ccc1C	8249
+c1c(F)c(c(cc1)F)C(C#N)C(C)=O	1260
+c1c(F)c(c(cc1OC)F)C(C(C)=O)C#N	1260
+c1cc(ccc1)C(Cc2ccc(cc2)OC)(CC(OCC)=O)O	3660
+c1cc(ccc1Cl)Nc2ncc(cc2Cl)C(=O)CC(=O)C	2201
+c1cc(ccc1C(CC(=O)C)=O)F	2201
+c1cc(ccc1F)CCN2CCC(CC2)N3c4cc(C(C)=O)ccc4CC3	8250
+c1ccccc1-c2cc(c(C)cc2)C=O	8251
+Fc1cccc(F)c1COc2cccc3c(C(OCC)=O)c(C)nn23	2169
+O=S(=O)(C)c1ccc(Oc2cc3cc([nH]c3c(OC)c2)C4=NCC(S4)CC(=O)OCC)cn1	892
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c([nH]c(C4=NCC(S4)CC(=O)OCC)c3)c(c2)C	892
+O=S(=O)(c1ncc(Oc2cc3c([nH]c(C4=NCC(S4)CC(=O)OCC)c3)c(c2)OCC)cc1)C	892
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C=4SC(CN=4)CC(=O)OCC)[nH]3)c2)CC)cn1	892
+O=S(=O)(N(C)c1cccc2c1[nH]c(C3=NCC(CC(=O)OCC)S3)c2)c4cccs4	892
+O=S(=O)(N(c1c2[nH]c(cc2ccc1)C=3SC(CN=3)CC(=O)OCC)C)c4ccccc4OC	892
+O=S(=O)(N(C)c1ccc(c2c1[nH]c(C=3SC(CC(=O)OCC)CN=3)c2)C)c4cccs4	892
+Cc1c(nnn1-c2cc(Cl)c(F)cc2)C(=O)OCC	8252
+c1c(OC(=CC(OCC)=O)C)c2c(cccc2)cc1	8253
+CCOC(=O)c1c(C)onc1-c2c(cccc2)F	2366
+c1cc(ccc1F)-c2c(c(on2)C)C(OCC)=O	2366
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(cc([nH]3)C4=NCC(S4)CC(=O)OCC)c2	8254
+c1cc(ccc1S(=O)(=O)C)Oc2cc3c([nH]c(c3)C4=NCC(S4)CC(=O)OCC)c(OC(C)C)c2	892
+c1cc(ccc1)COc2cc(C)cc3c(C(=O)OCC)c(C)nn23	2169
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)C(=O)OCC	4474
+c1cc(ccc1Cl)-c2nc(sn2)C(=O)OCC	4474
+C(OCC)(=O)C(=CNc1ccccc1C(C)=O)C(CCC)=O	8255
+O=C(OCC)C(C(=O)OCC)(NC(C)=O)CCc1ccc(cc1)Sc2ccccc2	165
+C(C(C)C(OCC)=O)c1c(cccc1)-c2ccccn2	8256
+O(C(=O)C(C(OCC)=O)(Cc1ccc(cc1)Br)C)CC	8257
+c1cc(ccc1-c2ccc(cc2)OCc3ccccc3)CC(C(OCC)=O)C(OCC)=O	11
+CC(C)CC(C(=O)OCC)c1cc(c([N+]([O-])=O)cc1F)F	4475
+C(C)OC(=O)C(C(=O)OCC)(CC(=O)c1ccc(c(F)c1)C)O	8258
+CC(C)CC(C(=O)O)C(OCC)=O	3
+CC(C)CC(C(O)=O)C(O)=O	8259
+CCOC(=O)C(C(OCC)=O)(CC(C)C)c1c(cc(c(F)c1)[N+](=O)[O-])F	8260
+O=C(OCC)C(C(=O)OCC)CCCOc1cc(ccc1)C#CCCCCCC	20
+O(CC)c1c(c(ccc1)F)C2CC(C(=O)N2Cc3cccc(-c4nc(Cl)cs4)c3)C	1737
+Fc1c(Oc2c(OC)c(ccc2)C(C)C(O)=O)cccc1	3
+c1([nH]nc(C(C(=O)O)C)c1)C	3
+FC(F)(F)c1cc(Cl)n(CC=2N=C3N(C(C(C(=O)OCC)C)=C(C)S3)C(C=2)=O)n1	8261
+c1c2ncc(C(=O)OCC)n2ccc1OCCOC	2936
+c1cc2ncc(n2cc1Br)C(=O)OCC	2936
+CCOC(=O)C(CC=O)C	465
+c1([N+]([O-])=O)cc(c(Cl)cc1F)OC(C(OCC)=O)CCBr	289
+c1cc(ccc1OCc2n(CCC(C(OCC)=O)C)c3cccc(C)c3n2)Cl	656
+Clc1cc(cc(Cl)c1)C=2CC(ON=2)(C(OCC)=O)CO	8262
+FC(F)(F)Oc1ccccc1-c2cccc(-c3nc(C(OCC)=O)sc3)c2	2946
+c1(csc(C(=O)OCC)n1)-c2cc(Br)c(c(Br)c2O)O	2946
+Cc1c(sc(C(=O)OCC)n1)Cc2cc(ccc2)Br	8263
+c1c(cc2-c3nc(C(=O)OCC)sc3CCOc2c1)Br	8264
+c1cc(ccc1C(O)=O)-c2csc(n2)C(OCC)=O	2946
+N(C(c1sccc1)=O)C(C(OCC)=O)C	8265
+CCOC(=O)C(OCC)N1C=CC=C(N)C1=O	8266
+c1cc(ccc1)NC=2C(=O)N(C(C(OCC)=O)OCC)C=CC=2	8267
+OC(C(C)c1ccc2NC(=O)Nc2c1)=O	3
+c1(N)c(c2c([nH]1)cncc2)C(OCC)=O	8268
+N(=C(C(=O)O)c1csc(N)n1)OCC	3
+FC(F)(F)Cc1ccc(cc1)N2C(C3(CC(=O)NCC3)CC2)=O	2007
+FC(F)(F)Oc1ccc(cc1)N2C(C3(CC(=O)NCC3)CC2)=O	2007
+c1cccc(N2N(C)C=C(C(=O)O)C2=O)c1OC	108
+O=S(=O)(C)CCCOc1cc(c(cn1)-c2ccc(F)c(COc3ncc4C5C(C5C(OCC)=O)Cc4c3)c2)C	1424
+c1c(C)c(c(cc1)C)-c2nc(COc3ncc4C5C(C(OCC)=O)C5Cc4c3)c(F)cc2	8269
+C1(C(OCC)=O)CCc2c3cc(ccc3[nH]c12)Br	8270
+CCOC(=O)C1=CN(N(c2c(cccc2)OC)C1=O)C	8271
+N1(c2ccccc2N=C(C(O)=O)C1=O)CCO	3
+C=1(CO)CCCC=1c2c(cccc2)F	2947
+c1cc(c(cc1CN2CCOC(C2)CNC(=O)CSc3nc(cs3)C(=O)OCC)Cl)Cl	8272
+O(C(CCNC(C)CC(=O)OCC)=O)CC	1340
+C(OC(C=Cc1cnc(N)c(C(OCC)=O)c1)=O)C	1953
+c1cc(ccc1OCC2(CC(C)C)Oc3c(c(C)c(OC(C)=O)c(C)c3C(=O)C2)C)CC(C(=O)OCC)Cl	1659
+c1cc(ccc1CC(C(=O)OCC)Cl)OCC2(CCc3c(C)c(OC(C)=O)c(c(C)c3O2)C)C	1659
+c1cc(ccc1OCC2(Oc3cc(Cl)c(cc3C(C2)=O)OC(C)=O)C)CC(Cl)C(OCC)=O	1659
+CC1(C)C(N(C)c2cc(C=CC(=O)OCC)ccc2N(CC)C1=O)=O	8273
+FC(F)(F)c1c(F)cc(-c2cc(c(N)c(c2)C=CC(OCC)=O)F)cc1	233
+FC(F)(F)c1c(cc(c(C=CC(=O)OCC)c1)N)F	233
+FC(F)(F)c1cc(c(C=CC(OCC)=O)cc1)Cn2nc(nn2)C	233
+c1(C)cc(C=CC(OCC)=O)cnc1Br	4476
+c1(F)c(Br)cc(C=CC(OCC)=O)c(N)c1	3998
+O(CC)C(C=Cc1ccc(N)cc1F)=O	233
+c12c(CCN(CC1)C(OCC)=O)cc(C=CC(OCC)=O)c(N)c2Cl	233
+O(CC)C(C=Cc1cc(c(c(F)c1)F)O)=O	233
+O(CC)C(C=Cc1cc2CC(CCCc2cc1)=O)=O	233
+O(CC)C(C=Cc1ccc(cc1C)F)=O	233
+c1cc(ccc1C=CC(=O)OCC)-c2csc(N)n2	233
+c1cc(ccc1C#N)C=CC(=O)OCC	233
+O(CC)C(C=Cc1ccc(nc1)Cl)=O	4476
+c1ccccc1CNc2c(c(nc(N)n2)C)C=CC(=O)OCC	4349
+c1cc(ccc1)OC(=CC(OCC)=O)C	8274
+c1c(c(cc(F)c1N)C(=CC(OCC)=O)C)F	8275
+CCOC(=O)C=Cc1c(CC#N)cccc1	163
+c1(c(cccc1)CCC(OCC)=O)CC#N	159
+Oc1nc2c(cc1)cnc(Br)c2	8276
+c1cc(CCC(OCC)=O)c(C)cc1Oc2cc(OC)ccc2C	159
+c1(C=CCO)c(cccc1)Br	4216
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(OCC)=O)=O	14
+O=S(=O)(c1cc2c(ncnc2O)cc1)n3cc(cc3)C=CC(=O)OCC	917
+c1c(OC)ccc(CCC(OCC)=O)c1OC	159
+c1nc2c(nc1O)ccnc2Cl	8277
+C(OC(CNc1c(cc(Cl)c(I)c1)OC)=O)C	4477
+c1(F)cc(cc(F)c1C(C(OCC)=O)O)OCC	4478
+O=C(CNc1c(O)cc(c(Cl)c1)Cl)OCC	4477
+O(C(=O)C(O)c1c(O)ccc2ccccc12)CC	4478
+c1cc(ccc1)COC(=O)Nc2cc3[nH]c4c(c3cc2)c(-c5ccccc5F)cnc4C(OCC)=O	8278
+c12nc(C(OCC)=O)n(CCCCCCCCCCCCCCCCCC)c1cccc2	8279
+c1c(OC)ccc2c1n(CC(OCC)=O)c3CCCC(=O)c23	256
+C(OC(Cn1c(cc2cc([N+]([O-])=O)ccc12)C)=O)C	256
+Clc1cc(-n2c3c(cc(OC)cc3)cc2)c(NCC(OCC)=O)cc1	1230
+Clc1cc(c(NCC(OCC)=O)cc1)Oc2ccc([N+]([O-])=O)cc2Cl	1230
+Clc1ccc(CNC(=O)c2c(nn(CC(=O)OCC)c2)OCC)c(Cl)c1	764
+c12c(ccc(Cl)c1)CC(N(CC(=O)OCC)CC2c3ccccc3Br)=O	584
+FC(F)(F)COCCOCCOCCOCCOCCOCCOCC(OCC)=O	337
+FC(F)(F)COc1c(OCC(=O)OCC)cccc1	52
+FC(F)(F)c1c(c2c(c(ccc2)-c3c(C)n(C)nc3C)n1CC(OCC)=O)CCCOc4cc(C)c(c(c4)C)Cl	256
+FC(F)(F)c1c2CCN(CC(=O)OCC)Cc2n(CC(Nc3c(OC)ccc(Cl)c3)=O)n1	303
+FC(F)(F)c1cc(n(n1)CC(OCC)=O)Cl	764
+FC(F)(F)c1ccc(cc1)-c2sc(c(n2)C)CCC(=O)c3cc(C)c(cc3)OCC(OCC)=O	52
+FC(F)(F)c1n(nc(-c2cc([N+](=O)[O-])c(OCC(OCC)=O)cc2F)c1Cl)C	52
+FC(F)(F)c1nn(c(c1)-c2ccc(cc2)Br)CC(OCC)=O	764
+FC(F)(F)c1scc(C(CN(C(C)Cc2ccc(cc2)OCC(OC)=O)CC(=O)OCC)O)n1	303
+FC(F)Oc1c(c(c(cc1)Br)OCC(=O)OCC)OC	52
+c1cccc(c1OCC(OCC)=O)Oc2c(Cl)cc(F)c(NC(=O)C)c2	52
+c1(F)cc(OCC(=O)OCC)c(cc1C)C(NCc2c(cc(cc2)Br)F)=O	52
+C(OC(CN1CCCCC1C)=O)C	303
+c1(cc(Cl)c(cc1)Br)NCC(OCC)=O	1230
+O(c1cc(cc(OC)c1)OCC(=O)OCC)C	52
+c1cc(C)cc(C=O)c1OCC(OCC)=O	52
+O=Cc1cc(c(OCCCC)c(Cl)c1)OCC(OCC)=O	52
+O=S(=O)(N(c1ccc(Cl)cc1C(c2c(cccc2)Cl)O)CC(OCC)=O)c3ccc(c(OC)c3)OC	4071
+O=S(=O)(NCCc1c(cc(cc1)-c2ccccc2S(=O)(=O)C)OCC(=O)OCC)c3cc(ccc3OC)C#N	52
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(ccc13)OCC(OCC)=O)C	52
+[N-]=[N+]=NC(OCCOCC(OCC)=O)COc1cccc(C(=O)O)c1	337
+[N-]=[N+]=NC1CCc2ccc(OC)cc2N(C1=O)CC(OCC)=O	933
+c1cnn(c1C(=O)c2c(Cl)c(Cl)c(c(CC=C)c2)OCC(=O)OCC)C	52
+C(OC(COc1c(Cl)cc(CO)c(c1)OC)=O)C	52
+C(OC(COc1cccc(I)c1)=O)C	52
+c1cc(c(c(F)c1OCC(OCC)=O)NCc2c(OC)c(cc(-c3cc(F)ccc3)c2)C)F	52
+c1cc(c(c(F)c1OCC(OCC)=O)NCc2c(c(cc(-c3cc(F)ccc3)c2)C)C)F	52
+c1(cc(cc(C)c1N=C2N(C)C(N(C)C(=C2)c3ccc(c(OC)c3)OCC(OCC)=O)=O)C)C	52
+c1c(C)c(c(cc1C(c2sccc2)=O)C)OCC(=O)OCC	52
+c1(C=O)cccc(OCC(OCC)=O)c1	52
+C(n1c(cc(n1)CC)CC)C(=O)OCC	764
+c1(ccc(cc1Cl)C(O)(CC(OCC)=O)CC)Cl	2040
+c12cc(sc1c(Cl)c(Cl)c(OCC(=O)OCC)c2)C(O)C	52
+C(c1n(CC(OCC)=O)c2cc(cc(C)c2n1)Br)CC	1457
+c12c(nn(c1C(C3CC23)OCOC)CC(OCC)=O)C(=O)N	764
+c1c2c(ccc1OCC(OCC)=O)ncn2C	52
+c12c(cc(Cl)c(Cl)c1)OCC(=O)N2CC(=O)OCC	933
+c1c(C)c(c(cc1)C)-c2cc(COc3ccc4c(ccn4CC(OCC)=O)c3)ccc2	256
+Cc1cc(cc(C)c1OCC(OCC)=O)Br	52
+c1cc(cc(C)c1OCC(OCC)=O)CO	52
+c1cc(ccc1OCC(OCC)=O)-c2cc(Cl)c(c(Cl)c2)CC3CCN(C3=O)C4CCCCC4	52
+c1cc(cc(c1)-c2ccc(F)c(c2)CNc3c(c(ccc3F)OCC(=O)OCC)C)F	52
+c1c(cc(Cl)c(c1)N2CCN(CC(OCC)=O)C2=O)Br	4072
+O(c1ccc(cc1OCC)Br)CC(=O)OCC	52
+C(OC(COc1cccc(c1)CCCO)=O)C	52
+CCOC(=O)CN1c2c(cccc2)CCCCC(N=[N+]=[N-])C1=O	933
+c12c(cccc1)CC3OCC(=O)N(CC(=O)OCC)C23	584
+C(OC(Cn1c2c(cccc2C#N)cc1)=O)C	256
+C(OC(CN(C)CCc1ccc(cc1[N+]([O-])=O)F)=O)C	303
+c1c(CC(OC)=O)cc([N+]([O-])=O)c(OCC(=O)OCC)c1	52
+c1cc(ccc1)-c2cnn(c2)CC(=O)OCC	764
+c1ccccc1C(c2cc(c(cc2OCC(=O)OCC)OC)Cl)O	52
+c1cc(ccc1)C(c2ccccc2)CC(N3CCN(CC3)CC(=O)OCC)=O	303
+c1cc(ccc1)CC(c2cc(C)c(cc2)OCC(=O)OCC)=O	52
+c1cc(ccc1)COC(C2Cc3c(CC2)n(c4c(Cl)cccc34)CC(=O)OCC)=O	256
+c1cc(ccc1)COC(=O)c2cccc(Oc3cc(C)c(cc3)OCC(OCC)=O)c2	52
+c1ccccc1SCC(OCC)=O	8280
+c1cc(ccc1OCC(OCC)=O)-c2c(C)nc(c(C#N)c2)O	52
+c1cc(ccc1-c2cc(on2)-c3nn(CC(OCC)=O)nn3)Oc4c(ccc(F)c4)Br	4479
+CC(C)CC(=O)C(CC(OCC)=O)NC(c1ccc(cc1)F)=O	8281
+c1cc(ccc1C(Nc2cc(OCC(OCC)=O)ccc2NC(=O)c3cc(C#N)ccc3)=O)C(C)C	52
+c1cc(ccc1-c2ccc(F)cc2F)C(C)(O)CC(=O)OCC	2040
+C1CCCCC12N(C(C(c3ccc(cc3)C)=N2)=O)CC(=O)OCC	584
+c1cc(ccc1C2CN(C(C2)=O)CC(OCC)=O)Cl	584
+c1cc(ccc1C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5)COCC(=O)OCC	337
+c1cc(ccc1OC)C=CCCCCOc2c(cc(cc2)C(=O)CCCC(OC)=O)OCC(OCC)=O	52
+c1cc(ccc1COc2c3nc(CC)n(c3ccc2)CC(OCC)=O)OC	1457
+c1cc(ccc1Cc2c(C)n(c3ccccc23)CC(OCC)=O)[N+]([O-])=O	256
+c1cc(ccc1Cl)C(=O)NC(CC(OCC)=O)C(=O)c2ccsc2	8282
+C1CC2(CCO1)N(C(C(c3ccc(cc3)Cl)=N2)=O)CC(=O)OCC	584
+c1cc(ccc1Cl)Sc2c(C)n(CC(OCC)=O)c3cccc([N+]([O-])=O)c23	256
+c1cc(ccc1F)C(C2CCN(CC2)CC(OCC)=O)=O	303
+c1cc(ccc1F)C2(c3ccc(cc3)F)CCN(CC(=O)OCC)C2=O	584
+c1cc(ccc1C2(c3ccc(cc3)F)CCCN(C2=O)CC(=O)OCC)F	584
+c1cc(ccc1OCc2ccc(cc2)F)OCC(OCC)=O	52
+c1cc(ccc1C(=O)CC)OCC(OCC)=O	52
+c1cc(ccc1OCC(OCC)=O)C(=O)CCCC	52
+c1cc(ccc1Cl)Oc2c(n(c3ccc(F)cc23)CC(OCC)=O)C	256
+O=S(=O)(c1ccc(cc1)N(CC(OCC)=O)C)O	2319
+N#Cc1ccccc1NCC(=O)OCC	1230
+c1ccc(OCC(=O)OCC)c(c1)C	52
+c1ccccc1-c2cc3n(c(nc3c(c2)C)CCC)CC(=O)OCC	1457
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COCC(=O)OCC)c4	337
+c1ccccc1C2(c3ccccc3)CCCN(CC(=O)OCC)C2=O	584
+c1ccccc1C2CCCN(CC(=O)OCC)C2=O	584
+c1ccccc1C2c3cc(c(c(c3C(=O)C2CC)Cl)Cl)OCC(OCC)=O	52
+c1cc(ccc1OCC(OCC)=O)NC(OCc2ccccc2)=O	52
+c1ccccc1COc2c(OC)cc(C=O)c(OCC(=O)OCC)c2	52
+c1(cc(cc(F)c1OCc2ccccc2)COCC(OCC)=O)F	337
+c1ccccc1COc2cccc3c2nc(C)cc3OCC(OCC)=O	52
+c1ccccc1COc2ccc3c(ccn3CC(=O)OCC)c2	256
+c1ccccc1N(C(=O)C2CCc3n(c4ccc(cc4c3C2)C#N)CC(OCC)=O)C	256
+c1cc(ccn1)C(C(c2ccc3ccccc3c2)=O)CC(=O)OCC	8283
+n1cc(cnc1N2CCC(CC2)O)-c3nn(nn3)CC(OCC)=O	4479
+c1c(n(CC(=O)OCC)nc1Cl)Cl	764
+C(OC(CN1C(=O)C=C(C=C1)n2cc(nc2C)C#Cc3cccc(C)c3)=O)C	8284
+c1(Cl)cc(cc(Cl)c1)N2C(=S)NC(=O)C=C2N	4480
+FC(F)(F)c1cccc(N2C(N)=C(C(OCC)=O)C(C(C(=O)OCC)=C2C)c3cc4c(ccc(C#N)c4)o3)c1	8285
+FC(F)Oc1c(Cl)c(-c2c(Cl)cc(Cl)c(c2)C=C(C#N)C(OCC)=O)nn1C	2948
+c1([N+]([O-])=O)cccc(-c2c(C#N)c(O)nc(SC)n2)c1	8286
+C1(=S)NC(=O)C=C(N)N1CCCCC	2949
+S=C1N(C(N)=CC(N1)=O)c2cc(CC)ccc2	4480
+O(C)c1cc(cc(OC)c1)C=C(C(OCC)=O)C#N	2948
+c1([nH]c2c(cccc2)n1)CN3C(N)=CC(=O)NC3=S	2949
+c1ccccc1COCC(Cc2nc(O)c(C#N)c(-c3ccc(c(Cl)c3)Cl)n2)C	4304
+c12ccccc1cc(cn2)N3C(NC(=O)C=C3N)=S	8287
+c1ccccc1C(CC(C(OCC)=O)C#N)=O	8288
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(C#N)C(OCC)=O	8289
+N1(C(C)c2[nH]c3ccccc3n2)C(=S)NC(C=C1N)=O	2949
+c1ccccc1C=C(C#N)C(=O)OCC	2948
+c1cc(cc(F)c1F)C=2n3nc(C)cc3NC(=O)C=2	2950
+C(=O)(C)c1cc2CCC(C)(Oc2c(CCC)c1OCCCOc3ccc(C(=O)C)c(O)c3CCC)CCC(O)=O	3
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCC(OCC)=O)OC)OC	1028
+n1(c(nc2cnc3ccccc3c12)CCC)CCCCCCCCCCCC(NC)=O	271
+O=S(=O)(C)CCOCCOCCOCCOCCOCCOCCCCCC(OCC)=O	1887
+c1(Cl)cncc(Cl)c1Sc2c([N+](=O)[O-])cc(C(=O)NCC(OCC)=O)s2	2765
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(OCC(=O)NCC(=O)OCC)cc3)C	188
+O=S(=O)(NCCc1c(OCC(=O)NCC(OCC)=O)cc(C(C)C)cc1)c2c(OC)ccc(C#N)c2	188
+Fc1cc(c([N+](=O)[O-])cc1F)NCC(=O)OCC	945
+C(OC(CNc1c([N+]([O-])=O)cccc1F)=O)C	945
+C(OC(=O)CNCc1c(N)c(C)cc(-n2ncnc2)c1)C	1528
+c1cc(ccc1)Nc2ccc(cc2)C(=O)NCC(OCC)=O	259
+O=S(=O)(Nc1ccccc1Oc2ccc(Cl)cc2Cl)c3ccc(cc3)C(=O)NCC(OCC)=O	259
+c1cc(ccc1Oc2c(cc(c([N+](=O)[O-])c2)NCC(OCC)=O)F)C(=O)OCC	945
+c1ccccc1Nc2cnc(C(=O)NCC(=O)OCC)cc2	1008
+C(OC(CNc1ncnc(Cl)c1[N+]([O-])=O)=O)C	2581
+CCOC(=O)CN1c2c(cccc2)CCCCC(N)C1=O	1584
+O=C(CNC(=O)c1ccccc1O)O	3
+c1cc(ccc1-c2cc(N)n(n2)CC(=O)OCC)F	8290
+Ic1cc2NC(CNc2nc1)=O	8291
+c1(cc(SCC(OCC)=O)nc(N)n1)C	8292
+c1cc(ccc1C)S(=O)(=O)N2Cc3c(CC2)sc(C(OCC)=O)c3	3609
+c1ccccc1OCC2CCC(CC2)N(C(Nc3sc(cn3)SCC(OCC)=O)=O)C4CCCCC4	8293
+c1nc(c2CCc3c(cc(c(OC)c3)[N+]([O-])=O)-n12)C(=O)OCC	2515
+c1cc(ccc1Cl)-c2c([nH]cc2C)C(=O)OCC	8294
+FC(F)(c1cc(-n2cnc(CO)c2)ccc1F)C	8295
+CN(C)CCN(c1ccccc1[N+]([O-])=O)C(OCC)=O	1199
+C(OC(Nc1nc2c(ccc(C)c2)nc1OC)=O)C	2205
+C[Si](C)(C)CCOCn1c(ccc1)C(=O)c2ccc(cc2)NC(OCC)=O	90
+C(C)OC(=O)c1c(Cl)ccc(N)c1F	1826
+FC(F)(F)C(=O)N1CC(CCC1)c2c(cccc2)NC(=O)OCC	90
+FC(F)(F)C(CC1CCc2cc(ccc2O1)NC(OCC)=O)OCc3ccccc3	90
+FC(F)(F)c1cc2c(N(C(CC)CN2C(C#N)c3cc(Cl)c(cc3)Cl)C(=O)OCC)cc1	1199
+FC(F)(F)c1cccc(c1)N2C(=O)N(C(OCC)=O)C(c3n(-c4ccc(cc4)C#N)ncc3)=C2C	8296
+O=C1NC(=O)ON1c2cc(F)c(cc2)F	8297
+N#Cc1ccc2cc(cc(-c3c4ccccc4ccc3)c2n1)NC(=O)OCC	90
+c1(nc(NC(OCC)=O)sc1)C(C(=O)OCC)=NOC	810
+C1CN(C(=O)OCC)CC(c2cc(ccc2)OC)=C1	8298
+C(C)OC(N1Cc2c([nH]c3c2cccc3[N+]([O-])=O)CC1)=O	66
+c1(c(c2c(cc1)N=C(OC2=O)OCC)CC)[N+]([O-])=O	8299
+C(OC(=O)Nc1c(F)ccc([N+]([O-])=O)c1)C	90
+c1c(C(=O)O)c(OC(=O)OCC)ccc1	644
+c1(C)cccc(C)c1CNc2cccn3c(C)c(COC(=O)OCC)nc23	405
+CCOC(=O)Nc1cccnc1	950
+C(c1c(c(OC)ccc1OC)F)(OCC)=O	1826
+C(OC(=O)Nc1c(C#N)c(c(cc1)Br)F)C	90
+C1Cc2ccccc2C(c3c1cccc3)=CC4CN(CCO4)C(=O)OCC	66
+c12c(cccc1)n(c(N3CCN(C(OCC)=O)CCC3)n2)CCOCC	1142
+c1(cc(cc(C)c1NC(=O)OCC)Br)C	90
+c1c(c(NC(OCC)=O)ccc1C)[N+]([O-])=O	90
+Fc1c(NC(=O)OCC)cc(c(Br)c1)OCC	90
+C(OC(=O)Nc1cccc(CCNC(C)=O)c1)C	90
+C(OC(=O)Nc1cccc(CO)c1)C	90
+N(c1ccc(C)c(c1)C(=O)c2ccc(Nc3c(F)cc(F)cc3)cc2Cl)C(=O)OCC	90
+C(OC(Nc1nc2ccc(cc2nc1OC)F)=O)C	2205
+C(C)OC(=O)N1NC(c2c1ccc([N+]([O-])=O)c2)=O	3268
+c1cc(ccc1)C(C(c2c3c(ccc2)cccc3)O)CNC(OCC)=O	101
+c1ccccc1CC(C(=O)O)NC(OCC)=O	544
+C1(CN(CCC1=O)C(OCC)=O)C	1600
+C1CN(C(=O)OCC)CC(c2cc(ccc2)OC)=C1	8300
+c1cc(ccc1)CN2CC(N(CC2)C(=O)OCC)C	66
+c1cc(ccc1)CNC(=O)C(CO)NC(=O)OCC	1403
+C1CC(CCN1C(OCC)=O)(c2ccc(cc2)Br)c3ccc(cc3)Cl	66
+c1cc(ccc1Br)N2CCC(CC2)NC(=O)OCC	101
+c1cc(ccc1C2=NOC(N2)=O)C=3C=CC(=O)N(Cc4cc(NC(=O)OCC)ccc4)N=3	4481
+c1cc(ccc1Cl)NS(=O)(=O)c2ccc(OC)c3c2OCC(NC(OCC)=O)C3	101
+c1cc(ccc1F)-c2nc3n(nc(c(C)c3C)Cl)c2C4C=NN(C=C4)C(=O)OCC	8301
+c1cc(ccc1F)CNc2ccc(NC(OCC)=O)c(N)c2F	8302
+c1cc(ccc1OCC(C)NC(OCC)=O)OCC=C(C)C	101
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)C3=NOC(N3)=O)OCC=C(Cl)Cl)Cl	4481
+c1cc(ccc1)C(=O)Oc2c(-c3c(c(C)ccc3OC(=O)OCC)C)c(c(cc2)C)C	644
+c1ccccc1C(=O)c2cc([N+]([O-])=O)c(CC(OCC)=O)cc2	8303
+c1ccccc1COC(=O)NC2CC(CC)N(C(=O)OCC)c3c2nc(cc3)OC	8304
+c1ccccc1COC(Nc2c(cc(cc2)NC(=O)OCC)O)=O	90
+c1ccccc1COc2cc3onc(NC(OCC)=O)c3cc2	278
+N(C(OCC)=O)CCc1ncc2ccccc2c1	101
+c1cc(ccc1C(CCCCN2CCN(C(=O)OCC)C(C)C2)c3cnccc3)F	53
+n1n2c(c(Br)ccc2)nc1NC(OCC)=O	977
+n1n2c(c(O)ccc2)nc1NC(OCC)=O	977
+n1n2c(cc(Cl)cc2)nc1NC(OCC)=O	977
+c1cc(ccc1C#N)-c2nnc(NNC(OCC)=O)cc2C	8305
+c1cc(ccc1C(=NNC(=O)OCC)CO)Cl	8306
+CCOC(=O)NC1CCCNC1	8307
+C(c1c(c2ccccc2[nH]1)C(O)=O)(=O)OCC	2038
+c1c2c(NC=3CCCC(=O)C=3C2c4oc(Sc5[nH]c6c(n5)cc(Cl)c(c6)Cl)cc4)c(C(OCC)=O)[nH]1	2503
+Clc1c(n[nH]c1C(=O)O)C	6
+N#Cc1c(C(=O)O)[nH]c(C)c1Cl	6
+c1(C)cccc(C)c1CNc2c3nc(c(n3ccc2)C)C(=O)OCC	2951
+NNC(=O)c1c(C)nc(-c2cccnc2)[nH]1	2100
+c1cc(ccc1F)CCn2nc(cc2)-c3nc(c(C(=O)OCC)s3)C	338
+C#Cc1sc(c(C)n1)C(OCC)=O	4482
+CCOC(=O)c1c(C)nc(-c2n[nH]cc2)s1	3470
+Nc1sc(c(C)n1)C(=O)O	6
+c1cc(ccc1F)-c2nc3n(c(C)c(s3)C(OCC)=O)c2	2952
+c1cc(ccc1F)CN2C(N(c3nc(c(C(OCC)=O)s3)C)CC2C)=O	1083
+c1c2c(CCN3CCN(c4sc(C(=O)OCC)c(n4)C)C3=O)c[nH]c2ccc1	1794
+c1cc(ccc1F)CN2C(=O)N(CC2)c3sc(c(C)n3)C(OCC)=O	1083
+c1ccccc1CN2C(=O)N(CC2)c3sc(c(C)n3)C(OCC)=O	1083
+Cc1nc(N2C3C(N(CC3)C(=O)c4nc(Cl)c(CC)[nH]4)C2)sc1C(=O)OCC	2090
+c1ccccc1CCCc2cn(-c3nc(c(C(OCC)=O)s3)C)nn2	8308
+Fc1cccc(F)c1COc2cc(cn3c(C(OCC)=O)c(C)nc23)F	2953
+OCc1c(noc1C)-c2c(cccc2)F	903
+FC(F)(F)c1ccc(N2CCN(CC2C)Cc3c(n[nH]c3)C(=O)OCC)nc1	678
+n1n(cc(c1C(OCC)=O)C=O)-c2c(F)cccn2	2488
+FC(F)(F)CNc1c(C(=O)OCC)nc(nc1)Cl	8309
+c12cc([nH]c1c(ncn2)O)-c3occc3	8310
+O=C(c1c(N=[N+]=[N-])c2c(cccc2)nc1)O	6
+C[Si](C)(C)CCOCn1cc(c(-c2nc3CCCCc3s2)n1)C(=O)OCC	1428
+c1(Cl)nc2CCCCc2c(Cl)c1C=O	1639
+C1Cc2c(nc(C)s2)-c3c(sc(C(=O)OCC)c13)SC	8311
+CCOC(=O)c1ncn2-c3ccccc3C(N(C)Cc12)=O	497
+Clc1cc(ccc1)NC(=O)N2Cc3c(n[nH]c3CC2)C(=O)OCC	326
+O(CCc1n2c(c(C(=O)O)c1)c(Cl)ccc2)CC	6
+c12c(C3C(C3)C1OCOC)c([nH]n2)C(=O)N	314
+c1ccccc1COC(=O)c2c(C)n[nH]c2-c3nc4cc(ccc4[nH]3)C(OCC)=O	567
+C1CC12C(CN(c3c(F)cc(C(OCC)=O)c(F)c3OC)C2)NC(c4ccccc4)C	34
+c1c(OCC)c(Cl)ccc1CO	217
+C(C)OC(=O)c1cccc(-c2csc(n2)-c3cnccc3C)c1	8312
+Clc1ccc2oc(-c3cc(ccc3)C(=O)OCC)cc2c1	1936
+FC(F)(F)C(=O)c1cc(C(=O)OCC)n(c1)CC=C	531
+c1cc(ccc1Cl)C(c2n(CC=C)c(Br)nc2C(=O)OCC)O	8313
+c1ccccc1CN2Cc3nc(C(OCC)=O)cn3CC2	48
+Brc1ccn2c(c1)nc(CO)c2	874
+c1cc(ccc1Cl)CNC(=O)c2c(c3c(c(F)c(F)c(F)c3)nc2)O	1556
+CCOC(=O)c1csc(-c2n(C)ncc2Cl)n1	697
+Clc1c(-c2nc(C(=O)O)cs2)n(C)nc1	6
+Brc1nc(C(=O)O)cs1	6
+c1cc(ccc1-c2cc(F)c(cc2OC)F)OCc3nc(C(OCC)=O)cs3	8314
+CCOC(=O)c1n(c(cc1Nc2ccccc2[N+]([O-])=O)C)C	4483
+c1cc(N)c(cc1)Nc2c(n(c(c2)C)C)C(=O)OCC	0
+c1cc(ccc1)Cn2nc(C(OCC)=O)c3cccnc23	1485
+c1cc(ccc1-n2ccc(C(OCC)=O)n2)F	568
+c1ccccc1Oc2ccccc2Cn3ccc(C(=O)OCC)n3	309
+c1c(F)c(c(cc1)F)C(=O)Nc2c(C(=O)OCC)n[nH]c2	1404
+CCOC(=O)c1n[nH]cc1N	209
+[nH]1nc(C(=O)OC)c([N+](=O)[O-])c1	3870
+CCOC(c1cc(c(cn1)N)N)=O	13
+c1(Cl)ccnc(CO)c1	194
+c1cc(ccc1Cl)NC(c2c(N)n(cn2)C)=O	4484
+c1cccc2c1-n3cnc(C(OC)=O)c3CN(C)C2=O	8315
+c12C3CC(CC3)c1c(nn2C)CO	194
+c12-c3ccccc3NC(=S)n1nc(CO)c2	194
+C1(C(Nc2c(N1)c(Cl)c(Cl)c(Cl)c2Cl)=O)=O	2954
+O=C(C(Cc1ccc(Cl)cc1[N+]([O-])=O)=O)OCC	2161
+O=C(OCC)C(CC(c1cccc(Cl)c1)=O)=O	633
+FC(F)(F)c1ccc2c(NC(=O)C(=O)N2C3CCCCC3)c1	2548
+FC(F)(F)c1c(c(c(cc1)OCc2ccccc2)[N+](=O)[O-])CC(=O)C(OCC)=O	2161
+C1(C(=O)Nc2c(Br)cc(cc2N1)Br)=O	2954
+c1cc(ccc1)C2=C(C(N(CCCC)S2(=O)=O)=O)O	8316
+c1(c2nc(cc(NCC)c2cc3c1OC(=CC3=O)C(OCC)=O)C(OCC)=O)CCC	2955
+C1(C(=O)Nc2c(c(c(F)c(F)c2F)F)N1)=O	2954
+Clc1cccc(Cl)c1C(=O)C(OCC)=O	8317
+O=C(OCC)C(=O)Nc1c2C(CC(c2c(C)cc1)CCC)=O	8318
+O(c1cc(cc(OC)c1)C(C(=O)OCC)=O)C	2956
+O=C(C(c1ccc(cc1C)F)=O)OCC	2956
+c1cc(ccc1)C=2C(=O)N(C(=O)C=2O)c3ccccc3Cl	8319
+c1cc(ccc1)COC(=O)N2CCC(CC2)CCCCC(=O)C(OCC)=O	8320
+c1ccccc1OCC(=O)CC(=O)C(=O)OCC	1135
+c1ccccc1Oc2c(NS(=O)(=O)C)cc3c(C(C=C(O3)C(=O)OCC)=O)c2	2955
+c1cc(ccc1Br)C(CC(C(OCC)=O)=O)=O	633
+c1cc(ccc1N(C)C)C(CC(C(OCC)=O)=O)=O	633
+c1cc(ccc1OC)C(=O)CC(C(OCC)=O)=O	633
+C1CCCCN1c2ccc(cc2)C(=O)CC(C(OCC)=O)=O	633
+c1cc(ccc1CN2C(C(Nc3c2cc(F)c(C(OC)=O)c3)=O)=O)OC	2548
+c1cc(ccc1F)C(=O)CC(C(OCC)=O)=O	633
+c1cc(ccc1Cl)-n2c(nc3c2nccc3)C(=O)OCC	8321
+c1cc(ccc1CCC(=O)CC(C(OCC)=O)=O)OC	1135
+c1cc(ccc1OCC(O)=O)C(=O)CC(C(OCC)=O)=O	633
+c1cc(ccc1C=Cc2c3OC(C(=O)OCC)=CC(=O)c3ccc2)OCCCCc4ccc(cc4)F	2955
+c1ccccc1COc2cc(c(C(CC(=O)C(=O)OCC)=O)c(c2)Oc3ccc(cc3)[N+]([O-])=O)OCc4ccccc4	633
+c1cc(ccc1OC)Oc2cc(c(cc2Cl)F)C(C(=O)OCC)=O	2956
+c1cnccc1C(=O)CC(C(OCC)=O)=O	633
+c1cc(ccc1)COc2cc(cc([N+](=O)[O-])c2CC(C(OCC)=O)=O)C	2161
+CC(C)c1c(OCc2ccccc2)cc(c(C(CC(=O)C(=O)OCC)=O)c1)OCc3ccccc3	633
+O=C(OCC)C(CC(c1ccc(cn1)C)=O)=O	633
+c1ccccc1Oc2ncc(cn2)C(CC(=O)C(OCC)=O)=O	633
+O(CC)C(=O)C(F)CCn1c2nc(nc(Cl)c2nc1)N	637
+C(=O)(C(C#N)(c1c(OC)c(Oc2c(F)cccc2)ccc1)C)OCC	3534
+C12(C(O)=O)c3c(OCC1CCCC2)cccc3	3
+C=1(C(C(=O)O)=C2N(CCC2)C(C=1Cl)=O)Cl	108
+C1C=C(CCN1C)CO	2947
+N1(C=C(C(=O)O)C(Cl)=CC1=O)C	108
+CCOC(C1=CN(C)c2c(C1=O)sc(CO)c2C)=O	1364
+c1cc(ccc1Cl)CNC(C=2C(c3sc(CO)c(c3N(C)C=2)C)=O)=O	1267
+Nc1cc(F)c(C)c2N(C=C(C(c12)=O)C(=O)O)C3CC3F	108
+CCOC(C1=CN(C2CC2F)c3c(C1=O)c(N)cc(F)c3C)=O	0
+c1cc(ccc1)COc2c(cn(C)n2)C(=O)OCC	8322
+O=S(=O)(OCC1CC1C(OCC)=O)C	7
+n1c(nn(-c2cc(nc(SC)n2)C3C(c4nc5c(cccc5)n4C)C3)c1C)C	8323
+c1(cc(I)ccc1)-c2nnn(n2)CCCN3CCCC(C(OCC)=O)C3	123
+O=S(=O)(C)Nc1c(cccc1)C(N2CC(CCC2)C(=O)OCC)=O	30
+C1(CN(C(=O)Cc2cccs2)CCC1)C(OCC)=O	58
+C1(CN(c2nc(c(cc2)[N+]([O-])=O)N)CCC1)C(OCC)=O	43
+c1cc(ccc1OCC(=O)N2CCCC(C(OCC)=O)C2)-c3ccc(cc3)C#N	10
+c1cc(ccc1C#N)C(CN2CC(CCC2)C(OCC)=O)O	170
+c1cc(ccc1OC)CN2CC(C(OCC)=O)CCC2	171
+C(OCC)(=O)C1CCCN(CCC2COc3c(cccc3)O2)C1	236
+c1cc(ccc1)N2C(CC(CC2)C(OCC)=O)=O	883
+FC(F)(F)c1cccc(c1C(n2c3c(c(N4CC(C(C(OCC)=O)CC4)O)n2)c(ccc3)F)=O)Cl	8324
+n1c(NC(C2=C(O)C=C(C)N(C2=O)C)=O)sc(C)c1	8325
+O(C(=O)CCCN1c2ccccc2C(NC1=O)=O)CC	783
+C(Cc1n2ccc(cc2cc1C)C#N)(OCC)=O	8326
+FC(F)(F)C(C)(C)c1c(F)cc(cc1F)C2CC2C(=O)OCC	4485
+O(C)c1ncc2c(CC3C2C3C(OCC)=O)c1	8327
+c1cc(ccc1S(=O)(=O)NCCc2ccc(CC(OCC)=O)n2C)F	8328
+CCOC(C1CC1c2nc(SC)nc(c2)-n3c(C)nc(n3)C)=O	8329
+c1(F)c(ccc(c1)Br)C2C(C2)C(OCC)=O	4485
+c1cc(ccc1CC=2C(N(c3n(ncn3)C=2CCC)C4CC(C4)OCC(OCC)=O)=O)-c5ccccc5C#N	3688
+C(OC(C1C(c2sc(cc2)CCCC)C1)=O)C	4264
+C(C1CCc2cc(OCCCOc3ccc(-c4nc(co4)CC)cc3OC)ccc12)C(=O)O	3
+C(c1ccc(c(c1)OC)OCCCOc2cc3CCC(CC(=O)OCC)c3cc2)(=S)N	1855
+C(OC(CC1c2c(cc(cc2)OCCO)CC1)=O)C	665
+c1ccccc1COc2ccc3n(ccc3c2)CCC(=O)OCC	8330
+CCOC(CCC1CCc2cc3cccnc3nc2C1)=O	8331
+c12c(CC(CC1)CCC(OCC)=O)nc3c(CCCN3)c2	2826
+ClC1(Cl)C(=O)CC1CCC(=O)OCC	2747
+CN(C)CCCC1c2c(cc(OCCCC(=O)OCC)cc2)CCc3ccccc13	8
+C[Si](C)(C)CCOC(c1cccc(S(=O)(=O)N(CCCC(OCC)=O)C2CC2)c1)=O	831
+O(C(CCCSc1nc2ccccc2[nH]1)=O)CC	2465
+O(C(CCCOc1c([N+]([O-])=O)cccc1)=O)CC	8
+c12cc(OCCCC(OCC)=O)c(cc1CCC2=O)CCCCCC	8
+n1(ncc2cc(c(C)cc12)Br)CCCC(OCC)=O	1090
+c1cc(OCCCC(OCC)=O)c(cc1Br)OC	8
+O(C(CCCNCCC1Cc2c(cccc2)OC1)=O)CC	132
+c1cc(ccc1-c2ccc(cc2)C#N)OCCCC(OCC)=O	8
+c1cc(ccc1OCCCC(=O)OCC)C=O	8
+c1cc(ccc1Cl)Cc2c(n(CCCC(OCC)=O)c3ccccc23)Br	339
+c1ccccc1-c2ccc(cc2)OCCCC(=O)OCC	8
+c1ccc(cc1[N+]([O-])=O)C(c2c3ccccc3n(CCCC(OCC)=O)c2)=O	339
+c1cc(ccc1Oc2c(-c3ccccc3)c(C)cc4cc(ccc24)OC)OCCCC(=O)OCC	8
+c1ccccc1CN(Cc2ccccc2)CCCC(OCC)=O	28
+c1ccccc1Cn2c3c(cc(OCCCC(=O)OCC)cc3)c(CC(=O)N)c2	8
+Clc1cc(c(Nc2c3c(cc(OCCCC(OCC)=O)c(OC)c3)ncn2)cc1)F	72
+C(OC(CCCn1cnnn1)=O)C	4486
+O=S(=O)(NCCCC(OCC)=O)C	111
+O=S(=O)(N(c1cccc2c1[nH]c(c2)-c3sc(cn3)CNCCCC(OCC)=O)C)c4cccs4	4461
+C(OC(CCCNCc1ccc2c(c1)occ2)=O)C	42
+c1cc(ccc1Oc2ccnc3c2sc(c3)C(=O)NCCCC(=O)OCC)NC(Nc4cc(ccc4F)C)=O	227
+c1ccccc1C=2C(=O)N(CC3CCCCC3)c4c(c(O)c(C(NCCCC(=O)OCC)=O)nc4)C=2	658
+n1(C2CCCCO2)nc(C(NCCCC(OCC)=O)=O)c(c1)NC(=O)c3ccccn3	81
+FC(F)(F)C(=O)N1CCc2c(cccc2CCCC(=O)OCC)C1	4324
+C(CNC(Nc1cccc(C(=O)O)c1)=O)C(OCC)=O	675
+CC(C)(C)c1ccc(cc1)NCCC(=O)OCC	1627
+O=S(=O)(c1cc(OC)ccc1)NCCC(=O)OCC	71
+O(C)c1nc(nc(OC)c1[N+]([O-])=O)NCCC(=O)OCC	96
+c1cc(ccc1)OCC(Nc2ccc(cc2)C(=O)NCCC(OCC)=O)c3oc4c(cccc4)c3C	14
+c1cc(ccc1C(=O)NCCC(=O)OCC)N2CCC(CC2)=O	14
+C(OCC)(CCNc1c2ccccc2ncc1[N+]([O-])=O)=O	105
+c1cc(ccc1C(=O)N(CCC(OCC)=O)C)NC(c2oc3c(cc(cc3)OC)c2C)CCCCOC	30
+c1cc(ccc1O)CSCCC(=O)OCC	639
+O=S(=O)(c1nccn1CC(=O)OCC)C	8332
+c1(cc2c(cccc2Br)o1)C(=O)OCC	8333
+c1cc(ccc1Cl)OCC(OCC)=O	1845
+N1c2c(CC1=O)ccnc2	8334
+CCOC(Cc1ccncc1N)=O	13
+c12N(C(Sc1cc(cc2)N3C=C(C(NC3=O)=O)C#N)=O)C	2957
+C(#N)C1=CN(C(NC1=O)=O)c2cc3c(N(C(=O)N3C)C)cc2	2957
+c1cc(ccc1N2CCOC2=O)N3C(NC(C(C#N)=C3)=O)=O	2957
+c12c(Cl)nc3c(n1c(CC)nn2)cccc3	2958
+C(C)c1n2c(nn1)c(nc3c2ccc(c3)OC)OC	2958
+c1cc(ccc1COc2cccc3[nH]c(CC)nc23)OC	8335
+c1cnccc1-c2cc3c([nH]c(CC)n3)nc2-c4cc(F)ccc4	8336
+c1ccccc1COc2cc3c(cc2)ncc4nc(CC)n(c34)C	1700
+FC(F)(F)c1c(OCC)ccc(-c2cc3c([nH]c(CCl)n3)c(n2)C#N)c1	8337
+c1cc(ccc1-c2cc(ccc2C)C(=O)NC3CC3)-c4oc(nn4)CCl	2959
+C1CCCC1n2c(cc3cnc(Cl)nc23)C(OCC)OCC	4442
+c12-c3c(cccc3)C(c1cccc2)COC(=O)NC(C)C(=O)N(Cc4c5ncccc5ccc4)C(C(OCC)OCC)C	10
+C1CC(CCC1)CCn2cc(c3cc(C)ccc23)CCNC	8338
+C(C)OC(OCC)Cn1c(cc(-c2cnccc2)n1)N	8339
+CCOC(CC1CCc2cc(OCCOCC)ccc12)=O	8340
+Cc1ccc2occc2c1	4487
+c1ccccc1Oc2ccc(cc2)OCC=O	598
+c1([N+]([O-])=O)ccc(-n2nnnc2)nc1	8341
+Cc1nc(-n2nnnc2)ccc1C(C)C(OCC)=O	8342
+c1c(C)cc(cc1-n2c3cccc(C#N)c3nc2)C	4488
+FC(F)(F)C(Nc1ccc2c(c1CC)nco2)=O	4489
+FC(F)(F)C(=O)Nc1ccc2c(nco2)c1C	4489
+FC(F)(F)Cc1sc2c(c(O)ncn2)c1	8343
+FC(F)(F)c1c2ccc3n(cc(-c4ocnn4)n3)c2nc(O)c1	8344
+FC(F)(F)c1cnc2c(O)ncnc2c1	4490
+FC(F)(F)c1cc(N(C2CCCC(n3cnnn3)C2)CC)ccc1C#N	4486
+FC(F)(F)c1cccc(c1)-c2nc(c3[nH]cnc3c2)C#N	4491
+OC(Cn1cnc(c1N)C(=O)N)C	8345
+c1(-c2ncon2)cc(c(C)cc1)F	4492
+c1(-c2ncon2)cc3nc(-c4c(Cl)ccc([N+]([O-])=O)c4)[nH]c3cc1	4492
+c1nc2c(n1C)cc(Cl)nc2C#N	919
+c12c(n(cn1)C)cc(Br)nc2	919
+c1c2c(ncc1)nco2	8346
+c1cc2c(c(ncn2)O)nc1Cl	4490
+c12cc(Cl)nc(Cl)c1c(ncn2)O	8347
+CC1(C)OC(=O)C(C(=O)O1)=CNc2cc(ccc2Br)OC	8348
+n1nncn1-c2ccc3c(CCCC3C(OC)=O)c2	797
+c1c(OC)ccc(c1Br)-n2nnnc2	797
+N1=CN(C(c2nc(Br)cnc12)=O)C	8349
+O(c1c(CC)cc(c(C)n1)-c2ncon2)C	8350
+CC1(C)OC(=O)C(C(O1)=O)=CNc2cccc(OC)c2	2960
+c1cc(ccc1NC=C2C(OC(OC2=O)(C)C)=O)C(c3nccs3)c4ccc(cc4)Cl	2960
+CC1(C)OC(=O)C(C(O1)=O)=CNc2cccc(c2)OCc3ccccc3	2960
+O=S(=O)(C)c1cc(Cl)c(C(C(=COCC)C(=O)CC)=O)cc1	4493
+C1CC1C(=O)C(=COCC)C(=O)c2c(cc(Cl)cc2)S(=O)(=O)C	4493
+N1(c2cc(C(=O)OC)cc(c2)-n3nnnc3)C(C=C(C=C1)C)=O	797
+c1(c(ccc(c1)-n2nnnc2)OC)C(=O)C	797
+c1cc(ccc1C)-c2cc(-n3nnnc3)cc(C(=O)OC)c2	797
+c1cc(ccc1CCCC)-c2c(c3c(cc2)c4Cc5c(ccc(-n6nnnc6)c5)-c4[nH]3)F	797
+c12c(C(=O)N(C1=O)CCCCOc3ccc(cc3)-n4cnnn4)cccc2	797
+n1c2c(Cl)nc(Br)cn2cn1	4189
+c1(F)c(F)c(c(c(F)c1C(C(C(=O)OCC)=CNc2c(cccc2)O)=O)F)N3CCC(NC(=O)C)C3	8351
+c1c(F)c(cc(OC)c1OCc2ccc(nc2)OC)Cn3cnc4cc(I)ccc34	2854
+c1(c(OCc2ccc(nc2)OC)ccc(c1)Cn3cnc4cc(I)ccc34)OC	2854
+c1nc2c(c(Cl)nc(Br)c2)n1C	8352
+Cc1cc(Nc2nc3n(Cc4ncc(cc4F)F)cnc3cc2F)n[nH]1	8353
+C(C)OC(c1cnc(Cl)c2c1n(cn2)C)=O	919
+c12c(nc[nH]1)c(C#N)nc(Cl)c2	4491
+c1(c(c(ccc1C)Cl)Nc2ccccc2-c3nnco3)Cl	2961
+c1(c(NC(=O)C(=CNc2cc(I)c(OCCOC)cc2)C#N)cc(c(Cl)c1)OC)Cl	8354
+n1(Cc2c(F)cccc2)cnc3cnc(Cl)nc13	8355
+c12n(c(CCC)nc1c(C)cc(-c3nnco3)c2)Cc4ccc5c(CCc6c(C5=CC#N)cccc6)c4	2961
+c1(c(OCc2ccc(nc2)OC)ccc(Cn3c4c(cc(cn4)I)nc3)c1)OC	4494
+O(c1c(cc(cc1)Cn2c3c(cc(cn3)I)nc2)OCC)Cc4ccc(nc4)OC	4494
+n1c(Cl)c2ncn(-c3c(Cl)cccc3)c2nc1	4127
+c1n(c2c(ccc(c2)Br)n1)-c3ccc(c(F)c3)C(=O)OCC	4488
+CCOC(=O)C(C(c1c(cc(I)cc1)Cl)=O)=COCC	3335
+c12nncn1cccc2-c3ncccc3	2570
+n1c2cc(ccc2n3cnnc3c1OC)OC	8356
+c1cc(ccc1-c2ocnn2)-c3c(n(C)c(-c4ccccn4)n3)I	2961
+c1cc(ccc1-n2c3c(nc2)cccn3)C(C(OCC)=O)=O	3493
+c1cc(ccc1OC)Cn2cnc3cnc(cc23)Br	919
+c1cc(ccc1)CN2CCC3(CC2)N(C=NC3=O)c4ccc(cc4)F	3702
+c1cc(ccc1CC#N)-n2cnc3cnc4ccc(Br)cc4c23	8357
+c1cc(ccc1O)Cn2cnc3ncc(nc23)-c4sccc4	8358
+c1cc(ccc1[N+](=O)[O-])-c2ncon2	8359
+c1ccccc1COC(NCCCn2c3c4ccccc4nc(Cl)c3nc2)=O	919
+n12c(nnc1)c3cc(C)ccc3nc2CCl	8360
+c1(ccn2cnnc2c1)-c3ncccc3	2570
+O(CC)C(OCC)P(OCC)(CC(c1ccc(cc1)OC)C[N+]([O-])=O)=O	8361
+O=Cc1cc2cnc(cc2[nH]1)Br	1921
+C(OC(OCC)c1ccc(cc1)CNC)C	42
+CCOC(OCC)c1cc2c(o1)c(-c3cccc(C=O)c3)cnc2	4495
+c1ccccc1COc2cccc(c2)-c3cncc4cc(C(OCC)OCC)oc34	4495
+c1cc2c(cc1)cc(CO)[nH]2	194
+CCOC(c1n(C)c2c(cccc2)c1)=O	144
+CCOC(=O)c1[nH]c2c(cccc2)c1C=O	287
+c1cc2[nH]c(cc2cc1)C(NC)=O	780
+c1(c(C=O)[nH]c(c1)C(OCC)=O)C	413
+CCOC(c1[nH]cc(CCN)c1)=O	51
+O(C(c1n[nH]c(c1)NC(=O)c2cc(F)c(cc2Cl)F)=O)CC	330
+O(C(c1n[nH]c(c1)NC(=O)c2cc(F)c(cc2C)F)=O)CC	330
+CCOC(c1[nH]nc(N)c1)=O	161
+c1cc(ccc1F)-c2n(C)cc(C(OCC)=O)c2C	1072
+c1(cn2c(c1C)c(c(C#N)cn2)Cl)C(=O)OCC	8362
+c1(c(C)n(C)cc1)C(=O)O	6
+Clc1ncc(c(C)n1)C(=O)O	6
+CCOC(c1c(C)nc(nc1)NN)=O	1657
+CCOC(c1c(C)nc(Cl)nc1)=O	740
+c1(c(C)nccc1)CO	351
+c1(C(=O)O)c(C)onc1-c2ccncc2F	6
+c1nccc(n1)-c2c(C(=O)O)c(C)on2	6
+C(C)OC(c1cn(-c2cccnc2)nc1Cl)=O	2962
+c1(c(Cl)nc(SC)nc1)CO	897
+CCOC(c1c(NC)nc(SC)nc1)=O	40
+FC(F)(F)CNc1c(cccn1)C(=O)OCC	70
+n1cccc(c1-c2ccc(cc2F)F)C(=O)OCC	140
+c1c(cc2nsnc2c1)Oc3c(cccn3)C(OCC)=O	136
+c1cc(ccc1)CN2CCN(CC2)c3ncccc3C(OCC)=O	43
+c1cc(ccc1Nc2ccccn2)Oc3ncccc3C(OCC)=O	136
+c1c(cc2nonc2c1)Oc3c(cccn3)C(OCC)=O	136
+CCOC(=O)c1c(F)cnc(Cl)n1	8363
+c1c(c(I)nn1C2CCCCO2)C(=O)OCC	1738
+Nc1c(CO)cnc(Cl)c1	351
+c1ccccc1NC(=O)Nc2c(cnn2C)C(=O)OCC	8364
+CN(C)c1ccc(cc1)-c2nc(ncc2)-n3cc(C(OCC)=O)c(n3)N	2963
+n1cccnc1-n2nc(c(c2)C(OCC)=O)N	2963
+c1(CO)c(NC)cc(Cl)nc1	351
+c1(CO)c(NC)nc(SC)nc1	897
+CCOC(C1=CN(C)c2c(Cl)nc(C)cc2C1=O)=O	8365
+CCOC(C1=CN(C)c2c(C1=O)sc(C=O)c2C)=O	8366
+CCOC(c1c(C)c(Br)n(C)c1)=O	819
+c1cc(ccc1)COC(=O)OC2Cc3c(c(cnc3CC2)C(=O)OCC)O	405
+c1(Oc2cc(ccc2)F)c(CO)cccc1	217
+Cc1nn(-c2cccnc2)cc1C(=O)OCC	2962
+c1(c(C(OCC)=O)c[nH]n1)C=O	178
+c1cc(ccc1)Cn2nc(c(c2)C(=O)OCC)[N+]([O-])=O	309
+c1ccc2c(-c3c(csc3CO)-c4ccccc4O2)c1	2842
+O1CCCn2c1c(C(=O)O)cn2	6
+Ic1c2c(nc(Cl)cc2C(=O)OCC)n(C3CCCCO3)n1	1846
+c1c(c(Cl)cc(OC)c1)OCc2csc3c(cnc(Cl)c23)C(=O)OCC	1739
+C(C)OC(c1cnc(Cl)c2c(COc3cc(ccc3C)NC(c4ccc(NCCO)c(Cl)c4)=O)csc12)=O	1739
+c1cc(ccc1Br)OCc2c3c(ncc(C(OCC)=O)c3sc2)Cl	1739
+c1cc(ccc1COc2cc(ccc2)OCc3c4c(sc3)c(C(=O)OCC)cnc4Cl)Cl	1739
+c1ccccc1C(Nc2ccc(c(OCc3c4c(c(cnc4Cl)C(OCC)=O)sc3)c2)C)=O	1739
+CCOC(c1c2c(I)n[nH]c2nc(Cl)c1)=O	4190
+CCOC(c1c2c(n[nH]c2)nc(Cl)c1)=O	137
+C(OC)Cc1n2c(c(C(=O)O)c1)c(Cl)ccc2	6
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(cnn14)C(=O)OCC	790
+c1cc(N2C(CCC2)c3cc(ccc3F)F)nc4c(cnn14)C(=O)OCC	790
+O1CCc2c3n(ncc3CO)ccc12	536
+O=S(=O)(n1c(C)c(C(=O)OCC)cc1Br)c2cnccc2	1690
+c1(C(=O)O)cc(Br)c(C)[nH]1	6
+CCOC(c1cc(c(Cl)nc1)C#N)=O	4496
+c1ccccc1-c2sc(nn2)NC(=O)c3c(c4c(ncc(C(OCC)=O)c4)s3)N	3192
+c1ccccc1COCCCCN(C(=O)c2cc(cc(C(OCC)=O)c2)C)CCC	30
+c1(C(=O)O)cc(Cl)c(C)[nH]1	6
+CCOC(c1cc(C#N)c(O)nc1)=O	2189
+CCOC(c1cc2c(nc1)n(CCCOC)c(N)n2)=O	8367
+c1cc(C(=O)O)cc([N+]([O-])=O)c1OCC	6
+c1(C(=O)O)cc([nH]c1)-c2n[nH]c3c2cccn3	6
+c1cc(ccc1)CCNC(=O)c2cc([nH]c2)-c3n[nH]c4c3cccn4	1556
+CCOC(c1cc(N)c(NCCCOC)nc1)=O	13
+c1cc(ccc1Nc2nc3cc(ncc3[nH]2)C(OCC)=O)OC	8368
+c1(Cl)c2c(ccn1)cc(CO)[nH]2	194
+c1cc2cc(CO)[nH]c2nc1	194
+c1cc(ccc1)S(=O)(=O)n2ccc(C(OCC)=O)c2C	917
+c1cc(ccc1OCC=C)CCC(c2[nH]c(C(OCC)=O)cc2)=O	1053
+c1cc(ccc1Cl)CC(c2cc([nH]c2)C(=O)OCC)=O	432
+CC(C)(C(=O)OCC)c1ccc(cc1)OCc2ccccc2C(OCC)=O	22
+O=S(=O)(c1sc(cc1)C(=O)OCC)Cl	2206
+C(C)OC(c1sc(cc1)[N+]([O-])=O)=O	8369
+n12CCOCc1c(cc2)C(=O)O	6
+COc1cc(cc(OC)c1OC)-c2cc(C(OCC)=O)ccn2	140
+c1(cc(cc(OC)c1Cl)-c2nccc(C(OCC)=O)c2)OC	140
+C(C)OC(c1cnn(C)c1)=O	1211
+C(C)OC(c1cnn(c1)CC#N)=O	4497
+COC(OC)c1c(Br)cnc(-n2cc(C(=O)OCC)cn2)c1	1706
+C(C)OC(c1cnn(-c2nc3c(c(O)n2)cc([N+]([O-])=O)cc3)c1)=O	8370
+n1cc(C(=O)OCC)cn1-c2n(COCCOC)c3c(n2)c(c(Cl)c(Cl)c3)Cl	2482
+c1cc(ccc1C)S(=O)(=O)n2cc(cn2)C(OCC)=O	3952
+c1cc(ccc1OC)Cn2ncc(C(=O)OCC)c2	309
+c1cc(ccc1-n2ncc(C(OCC)=O)c2)Oc3c(Cl)ccc(c3)F	568
+c1cc(ccc1-n2ncc(C(OCC)=O)c2)OCCCN3CCCC3C	568
+C(c1ccc2CCCN(c2c1)CCOC)n3ncc(c3)C(=O)OCC	4498
+C(c1ccc2c(cc(C)n2C)c1)n3ncc(c3)C(=O)OCC	4498
+c1c2c(ccc1)nc(c3c(C(=O)OCC)cnn23)Cl	8371
+C(c1n(C)c2c(cccc2)c1)(=O)NC	780
+FC(F)(F)c1ccccc1COC2CN(C2)c3ncc(s3)C(=O)OCC	641
+CN(C)CCCCNC=O	1212
+FC(F)(F)c1cc(n(n1)C)Oc2cccc(CNC=O)n2	1212
+c1cc(ccc1S(=O)(=O)N2C3CC(C(C=O)C2CCC3)=O)Cl	8372
+c1c(c(c(cc1)OC)C)CCNC=O	1212
+c1cc(c(cc1F)C)C(c2ccc(F)cc2C)=C(c3nnnn3C)C=O	4499
+CCn1c(C(=O)Nc2cccc(C(c3ccc4NC(=O)C(C=O)c4c3)=O)c2)cc(C)n1	1557
+c1cc(N)c(cc1)CC(c2sccc2C)N(C=O)C	3695
+c1c2c(cc(CNC=O)c1)N(c3c(nccn3)S2)COC	1212
+c1ccccc1-c2nn(c3C4(CC(C(=O)C(C)C4CCc23)C=O)c5ccccc5)C	4500
+c1cc(ccc1)C23C(CCc4c2nc(nc4OC)-c5ccccc5OC)C(C)C(C(C3)C=O)=O	4500
+c1cc(ccc1)COc2cccc(c2)CCNC=O	1212
+c1ccccc1Oc2cccc(C(C#N)C=O)c2	8373
+c1cc(ccc1Br)CCc2c(CCNC=O)cccc2	1212
+c1cc(ccc1Cc2cc3C(C=O)C(=O)Nc3cc2)NC(=O)c4n(nc(c4)C)CC	1557
+c1cc(ccc1C(c2ccc(cc2)F)=C(c3n(C)nnn3)C=O)F	4499
+c1cc(ccc1NC(C)=O)C(=O)c2cc3NC(=O)C(C=O)c3cc2	1557
+c1ccccc1Cn2c3c(c(OCCNC=O)ccc3)c4c2ccc(C)c4	1212
+c1csc(c1)C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4C=O)c2	1557
+C1(C(c2sc(C)nc2CC1)=O)C=O	8374
+c1ncncc1CC(C(OCC)=O)C=O	2474
+Clc1cc(cc(Cl)c1Oc2cc3cc(ccc3nc2)C(=O)OC)[N+](=O)[O-]	8375
+c1cc(ccc1C)CC(=O)c2c(Cl)cc(cc2)Cl	4501
+c1cc(ccc1CC(=O)c2c(Cl)cc(cc2)Cl)F	4501
+CC(C)(c1ccccc1Br)O	8376
+c12c(CCC1)cc(c(c2)I)C=O	4502
+c1cc(ccc1-c2nc(cc(C)c2)-n3c(C)ccc3C)C=O	4502
+c1(ncc(Cl)cc1Cl)C(=NOCC)CBr	1213
+O=S(=O)(c1ccc(c(c1C=NOCC)Cl)C(O)=O)C	135
+c1cc(ccc1)CC(NC(c2c(-n3cc4ccccc4n3)nccc2)=O)C(O)C(=O)NOCC	293
+c1ccccc1CN2C(C(NC(C(C(NOCC)=O)O)Cc3ccccc3)=O)CCC2=O	293
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3C(CCCO3)=NOCC	350
+CCOP(OCC)(=O)C(P(OCC)(OCC)=O)CCCOc1ccc(cc1)C(C=C)=O	116
+CCOP(OCC)(=O)C(P(OCC)(OCC)=O)CCCI	343
+C1C2N(C(CC2)c3ccc(c(F)c3)F)C(C(C1)=Cc4cc(c(-n5nc(C)nc5)cc4)OC)=O	3528
+c1(ccc(C)c(c1C=C2C(NC(=O)N2C)=O)C)[N+]([O-])=O	3864
+C(OCCOCCP(=O)(OCC)O)COC	228
+O(CC)P(OCC)(=O)Cc1c(cc(c(C)c1)C=O)C	8377
+O(CC)P(OCC)(Cc1cc[n+](c2ccccc12)[O-])=O	924
+CCOP(OCC)(Cc1c2ccccc2nc(c1)C(=O)N)=O	862
+FC(F)(F)c1c(nc(nc1)Nc2c(OC)cc(CP(OCC)(OCC)=O)cc2)Cl	55
+c1cc(ccc1OC)C=Cc2cccc(I)c2	1265
+c1cc(ccc1)P(c2ccccc2)c3ccc(cc3)P(OCC)(OCC)=O	8378
+C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C	142
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(Cl)c3)Br	142
+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(c(NC(CP(OCC)(OCC)=O)=O)cc34)OC	33
+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(OCC)c(cc34)NC(CP(OCC)(OCC)=O)=O	33
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(ncnc2cn1)Nc3ccc(c(Br)c3)F	142
+CCOP(OCC)(=O)Cc1c2c(nc(C#N)c1)cccc2	8379
+C1CC(CCC1)CCCCCCCCCCCCP(OCC)(=O)O	228
+c1c(Br)c(c(cc1CP(O)(OCC)=O)Br)Oc2cc(C(C)C)c(cc2)O	228
+c1ccccc1-n2c(c(c3c2cccc3)C=O)N4CCN(CC4)CCOP(OCC)(OCC)=O	4337
+c1cc(ccc1CC(N)=S)C(OC)=O	8380
+CCOP(OCC)(=O)c1cc(sc1)-c2c(P(OCC)(OCC)=O)cc(s2)I	1927
+c1cc(ccc1C(Nc2ccc(cc2)P(OCC)(OCC)=O)=O)Oc3ccccc3	67
+CCOP(OCC)(c1ccc(cc1)N)=O	0
+CCOP(OCC)(c1sc(Cc2cc(C(O)=O)cc(OC(C)C)c2)cc1)=O	1429
+[O-][N+](c1cc(OCC)c(P(OCC)(C)=O)cc1)=O	8381
+CCO[Si](OCC)(OCC)CCCI	363
+O(CC)[Si](OCC)(OCC)CCCOCc1ccc(cc1)OC(=O)c2ccccc2	481
+CN(C)C=Cc1c(cc(C#N)c(n1)OCC)[N+](=O)[O-]	1693
+c1cc(ccc1OC)COc2c(cc(cn2)Br)OCC	91
+O(c1c(OCC)cccn1)C	91
+CCOc1c(F)cc(c(N)c1Br)Cl	0
+O=C(O)c1c(OCC)c2c(c(OCC)c1C(=O)O)cccc2	6
+CCOc1c2c(CC(=O)OC)c[nH]c2c(Cl)cc1F	27
+CCOc1c2c(CC(=O)OC)cn(c2c(Cl)cc1F)C	144
+O(CC)c1c2c(CC(OC)=O)cn(C)c2ccc1F	2207
+C(Oc1c2c(C(=O)N(C2=O)c3ccc(cc3)CC(OCC)=O)c(c4c1cccc4)OCC)C	668
+CCOc1cccnc1CSCCNC(SC)=C[N+](=O)[O-]	8382
+CCOc1cccnc1CSCCNC(=C[N+](=O)[O-])NC	2063
+CCOc1c(Cl)nccc1	137
+CCOc1ccnc(NCCN)c1	340
+FC(F)(C)C=CC(=O)NCCNc1cc(ccn1)OCC	8383
+C(COP(CCC#N)(CC)=O)O	8384
+Clc1ccc(c(c1)SCC)C=O	411
+S(CC)C(c1sc2c(Cl)cccc2c1)=O	8385
+FC(F)(F)c1cc(SCC)cc(S(=O)(=O)N(C)C2CCCc3c2cnn3CC(OCC)=O)c1	411
+O=S(=O)(C)c1cc(C(O)=O)c(SCC)cc1	411
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(nc(c4)CCCSCC)F	786
+S(CC)c1c(N)c(Br)cc(n1)CC	8386
+O=S(=O)(CCCn1c(cc2c1ccc(c2)Cl)C(OCC)=O)CC	8387
+O=S(=O)(CC)c1ccc(C=O)cc1F	2964
+Clc1cc2N(Cc3ccccc3Oc2cc1)C(=O)CNC(=O)CCSCC	952
+C1CC1(c2ccccc2)N	4368
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cnc(c4)C5(CC5)OC	8388
+Cc1c2nc(C3CC3C(CC)=O)nn2c(C)cn1	2851
+Clc1cc(Cl)c(N2CCCn3c2nc4c(Cl)ccc(c34)C(CC)O)cc1	1430
+Clc1ccc(C(CC)=O)c(Nc2ccccc2Cl)c1	1740
+FC(F)(F)CN1C(Nc2c(cc(cc2)F)C1(CC)c3ccccc3)=O	8389
+FC(F)(F)c1cc2c(C(O)CC)ccc(COC)n2n1	1430
+FC(F)(F)c1cc2n(c(ccc2C(CC)O)OC)n1	1430
+O=C(OC)C(=COC)c1ccccc1COc2cc(c(C(CC)O)cc2C)C	758
+c1(C)nc(OC)ccc1N2CCCn3c2nc4c(Cl)ccc(C(O)CC)c34	1430
+n1c2c(c(O)nc1CCCC)cc(cc2)C(O)CC	758
+c1(cc(c(cc1)Oc2ccnc3cc(c(cc23)OC)OC)C(O)CC)Cl	758
+C1CC1(c2ncccc2)N	4503
+C(c1cc(C)ccc1Oc2ccnc3cc(c(cc23)OC)OC)(O)CC	758
+CCC(c1ccc2occc2c1)=O	1740
+c1c(cc(c(C(CC)=O)c1)C)Br	1740
+c1c(cc(C(O)CC)c(F)c1)Br	758
+c12nc(c(nc1cc(Cl)c(Cl)c2C(O)CC)OC)OC	1430
+c1cc(ccc1)CN(Cc2ccccc2)c3ccccc3C4(CC4)O	8390
+c1ccccc1Nc2c(ccc(Cl)c2)C(CC)=O	1740
+c1cc(ccc1COCOC)-c2ccc(nc2)C(O)CC	2899
+c1cc(ccc1-c2nc3ccn4c(c3cc2-c5ccccc5)nnc4CO)C6(CC6)N	2208
+C1CC1(c2ccc(cc2)Br)N	2208
+C1CC1(c2ccc(cc2)C#N)N	2208
+c1cc(ccc1-c2ccc(nc2)C(O)CC)C(N)=O	2899
+C1CC1(c2ccc(OCOC)c(n2)Cl)N	4503
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCc4ccc(cc4)C5(CC5)N	2208
+c1ccccc1CC=2C(N3CCSC3=NC=2C(O)CC)=O	8391
+c1(c(nc(SC)nc1Cl)CC)C#N	4336
+C1CC1(c2ncc(cn2)C)N	8392
+C1CC1(N)c2oc(C)cn2	8393
+FC(F)(F)c1cc(-c2nc(c(cc2)C(CC)O)C)ccc1	8394
+c1(c(C)ccc(c1)F)C=C([N+](=O)[O-])C	1734
+c1c(cc(C=C([N+](=O)[O-])C)c(F)c1)F	1734
+c1cc(ccc1C=C(C)[N+]([O-])=O)Cl	1734
+c1ccccc1C(C([N+]([O-])=O)C)O	8395
+c1c(C#N)ccc(C2c3c(NC(=C2C(=O)C)C)ccnc3OCC)c1CC	8396
+CC[Si](CC)(CC)c1[nH]c2c(c1CCCC3(CCC(CC3)(c4ccccc4)N(C)C)O)cncc2	8397
+CC(C)(C(N)=O)c1c(cccc1)C#C	8398
+C(C)[Si](CC)(CC)OCc1cn(COCC)cn1	19
+C(C)[Si](CC)(CC)OC(c1ccc(c(NS(=O)(=O)C)c1)OCc2ccccc2)CI	19
+C(C)[Si](CC)(CC)OC(CN(Cc1ccccc1)CCOCc2ccccc2)c3cc([N+](=O)[O-])ccc3	19
+CC[Si](CC)(CC)OC(CC)(CC)CCC=C(c1cc(cs1)C=O)CC	8399
+CC[Si](CC)(CC)OC(CC)(CC)CCC=C(CC)c1cc(CO)cs1	8400
+O(Cn1c(C(=O)C)nc(CO)c1)CC	4504
+C1CC(CCC1(O)CCCc2c[nH]c3ccncc23)(c4ccccc4)N(C)C	8401
+c1cc(ccc1OC)Nc2c(cccc2)NC(c3conc3CC)=O	2965
+Cc1nc(c(C(=O)OC)cc1CC)OC	91
+O(c1c(cc(CC)c(C)n1)[N+](=O)[O-])C	91
+CCc1c(C)nc(Cl)c(c1)[N+](=O)[O-]	8402
+C1(C(=O)Nc2cc(CC)c(cc2N1)CC)=O	2966
+C1C(C(CN(C1)c2cc(OC)cc(c2)C(=O)OC)OC)NC(c3nc(Cl)c(CC)[nH]3)=O	855
+c1cc(ccc1-c2nc(C(OC)=O)co2)NC(=O)c3[nH]c(c(CC)n3)Cl	616
+Cc1nc(-n2nc3CCC(NC(c4nc(Cl)c(CC)[nH]4)=O)Cc3c2)sc1C(=O)OCC	855
+o1c(nc(C(=O)OCCCC)c1CC)N2CC(C(CC2)NC(c3[nH]c(c(CC)n3)Cl)=O)OCCC	855
+c1(nc(cnc1Cl)C(NCc2sc(C)nc2)=O)CC	312
+CCc1c(Cl)ncc(C(=O)O)n1	1
+c12c(n(cn1)C)cc(Nc3c(CC)cc(-c4cccs4)nc3)nc2	8403
+O(c1c(CC)cc(Br)c(C)n1)C	766
+O=S(=O)(c1ccc(s1)-c2c(nc(c(c2)CC)O)C)Cl	2206
+CCc1c(O)ncc(C(=O)OC)n1	1910
+CCc1c(Cl)ncc(C(=O)OC)n1	4505
+N(=[N+]=[N-])Cc1cccnc1CC	8404
+FC(F)(F)c1ccccc1CC(NC(c2sc(C)c(-c3c(CC)cnn3C)c2)=O)CN4C(c5ccccc5C4=O)=O	227
+CCc1c(n(C)nc1)-c2c(C)sc(C(=O)O)c2	1
+n1c(c(CC)c(n1C)-c2csc(c2)C(=O)OC)Cl	2209
+c1c(CC)c2c(ccc(C=O)c2cc1)O	582
+CCc1cc(NC=2C(N(C=C(Br)C=2)C)=O)no1	523
+CCc1c(CC)cc(c(N)c1)N	0
+O(c1c(cc(c(c1)OCC)Br)CC)C(C)=O	385
+C(c1cc(cc(CC)c1-c2cccc(c2)CO)OCCCS(=O)(=O)C)C	41
+CCc1cc(cnc1CC)-c2nc(no2)-c3cc(CC)c(OCC4OC4)c(C)c3	72
+c1cc(ccc1Cn2c(ccc2)CC)-c3c(Br)cccc3	8405
+c1(CC)cccc(CC)c1C(Cl)=O	82
+CCc1cccc(CC)c1NC(=O)N2Cc3c(C(=O)O)n[nH]c3C2	6
+c1cc(ccc1-c2c(CC)ccnc2N)OC	89
+FC(F)(F)CCNC(=O)c1ccc(cc1)-c2csc(-c3cc(ncc3)CC)n2	1741
+O=S(=O)(Nc1onc(CC)c1Br)c2ccccc2	4506
+CCn1c(C(=O)Nc2cccc(C(c3ccc4c(C(C(N4)=O)=CNc5cccc(O)c5)c3)=O)c2)cc(C)n1	1300
+c12c(c3c(nn(c3CCCCN)CC)c(N)n1)CCCC2	3426
+CCn1nc(C)c2C(CCc3ccc(C)c(C)c3)NCCCc12	2967
+CCn1c(c(Cl)cn1)-c2coc(c2)C(=O)OC	697
+CCn1c2ccccc2c(C(Nc3ccc(cc3Cl)CC(O)=O)=O)c1	4
+CCn1c2ccccc2c(C(Nc3ccc(CC(OC)=O)cc3Cl)=O)c1	246
+CCn1c2ccccc2c(c1)C(=O)O	1
+CN(C)c1ccc2c(ccc(n2)C)c1	4507
+CC(C)(c1c(c(Oc2ccccc2C)ccc1)OC)C#N	2451
+CC1(C)C(c2c(cc(c(c2)OC)CCCCCC)C1)=O	8406
+CC(c1cc2c(cc1)N(C(=O)N2C)C)=O	8407
+CN(C)c1ccc(cc1)-c2oc3c(cccc3c2)C(=O)OC	4507
+CN(C)CCCOc1ccc(OCCCC)cc1CCCOC	76
+CC(c1ccc(OC)c(OC)c1)C(=O)OC	643
+COc1c(OC)cc(cc1)C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O	2968
+c1(cc(cc(OC)c1)NC(SC)=C(C#N)S(=O)(=O)C)OC	8408
+CC1(C)c2c(cc(cc2)OC)NC1=O	8409
+COc1cccc2ccc(CC)nc12	8410
+COc1nc(c(cc1)C(OCC)=O)C(C)C(=O)OCC	8411
+C[Si](C)(C)C#CC(OC)c1ccccc1C#Cc2ccccc2	4145
+C[Si](C)(C)C#Cc1c(C(C)C(OC)=O)cccc1	643
+C[Si](C)(C)CCOC(=O)N1C(CC(c2cc3c(ccc(c3)C=C)cc2)(OC)C1)C(OC)=O	76
+C[Si](C)(C)CCOCn1ccc2c1nccc2N(C)c3c(cc(cc3)[N+]([O-])=O)F	4260
+C[Si](C)(C)CN=C(c1cc(C#N)c(-n2ncnc2)cc1)SC	4508
+C[Si](C)(C)CN=C(SC)c1ccc(Br)c(C)c1	4508
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)COC	76
+Cc1c(cc2CCCCC(c2n1)OC)C(=O)OCC	76
+c12cccc(C)c1n(cc2)C	144
+COc1cc(C)ccc1Cl	65
+COc1cc(C)cc(C)c1CCCC	65
+c1c2c(ccc(c2)C(=O)OC)n(C)c1C	144
+Cc1n(C2=CC(=O)N(C)C=C2)c(nc1C#Cc3cccc(C)c3)C	8412
+Cc1c2c(n(C)n1)ncnc2Cl	2969
+Cc1c(CC(OC)=O)c(O)nc(SC)n1	2970
+Cc1nn(C)cc1N2c3c4cc(ccc4ncc3N(C2=O)C)Br	3954
+Cc1oc2cc(N(C)c3nc(Cl)ncc3)ccc2c1C(NC)=O	1121
+N1=NN(c2cccc(Cl)c2C)C(=O)N1C	2493
+Clc1cc2N(CCOc2c(C(=O)OC)c1)C	891
+Clc1cc(Cl)c(c([N+]([O-])=O)c1)OC	65
+Clc1cc(c(C=O)c(Cl)c1)OC	65
+O(C)c1ncc(c(Cl)c1)[N+](=O)[O-]	766
+Clc1cc(c(c([N+]([O-])=O)c1)NC)OC	2971
+Clc1cc(Br)c(c([N+]([O-])=O)c1)OC	65
+Clc1cc(C(=O)OC)c(c([N+]([O-])=O)c1)C	272
+Clc1cc(Br)c2c(n(cn2)C)c1	1652
+Clc1ccc2C(C(=O)Nc2c1)C	2528
+Clc1ccc2C(c3nc(sc3C=Cc2c1)C)c4c(nc(nc4)O)SC	8413
+Clc1ccc2c(I)nn(C)c2c1	2158
+Clc1ccc2cc(-c3cc(C=O)cnc3)n(c2c1)C	144
+Clc1cccc(C2=CC(=O)N(C)c3ccc(C(c4cccc(I)c4)=O)cc23)c1	4509
+c1c(Cl)c(c(cc1)Cl)C=2C(=O)N(c3c(c(nc(Nc4ccccc4)n3)N)C=2)C	8414
+Clc1cc(cc(Cl)n1)C	8415
+CC(c1c(Cl)cccc1F)C(OC)=O	643
+Clc1cccc(c1)-c2onc(C3N(C(SC)=NC)CCCC3)c2	1956
+C=1N(C(C([N+](=O)[O-])=C(C=1)Cl)=O)C	8416
+Clc1ncc(c(c1)C(=O)OC)[N+](=O)[O-]	272
+FC(F)(F)C(=O)NC(C(=O)NCCCc1n(c2ccccc2c1)C)CC	144
+FC(F)(F)C(=O)N1C2C(C)(C)C(C)(c3ccc(c(c3C2)OC)[N+](=O)[O-])CC1	65
+FC(F)(F)C(=O)N(C)C1CCN(CCC1)c2n(ncc2[N+](=O)[O-])CC(F)F	782
+FC(F)(F)C(N(CC1(CCN(CC1)C(OC(C)(C)C)=O)c2ccc(cc2)I)C)=O	782
+FC(F)(F)C(=O)N(CCc1ccn(S(=O)(=O)c2ccccc2)c1)C	782
+FC(F)(F)C(=O)N(c1ccc(cc1)I)C	239
+FC(F)(F)C(=O)N(C)c1ccc2nc(oc2c1)C	239
+FC(F)(F)C(=O)N(c1ccccc1C#N)C	239
+FC(F)(F)C(OC)c1cc(ncc1)C#N	76
+FC(F)(F)C=1N(C(N(C(C=1)=O)c2ccc3snc(Cl)c3c2)=O)C	1742
+FC(F)(F)C=1N(C(=O)N(c2c(cc(Cl)c3CCCOc23)F)C(=O)C=1)C	1742
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2cc(c(cc2F)Br)OCC	1742
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(cc(c(c2OC)N)Cl)F	1742
+FC(F)(F)C=1N(C)C(N(C(=O)C=1)c2cc(c(Br)cc2F)OCC=C)=O	1742
+FC(F)(F)CC(C(=O)N1C(=O)OCC1Cc2ccccc2)C	4082
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(OC)=O	272
+FC(F)(F)CCc1c(ccc(C(C)=O)c1OC)OCCCOc2cc(ccc2)[N+]([O-])=O	65
+FC(F)(F)CN(C)c1ccc(cn1)[N+]([O-])=O	1347
+FC(F)(F)COc1cc(ncc1C2CC2)C(=O)NC(c3nnn(C)n3)(CC4CC4)C	1694
+FC(F)(F)COc1nc(C(OC)=O)ccc1	272
+FC(F)(F)Oc1cc(N(C)S(=O)(=O)c2cccs2)c3c(c1)cc(C(=O)OCC)[nH]3	1214
+FC(F)(F)Oc1ccc(cc1)-c2cc3n(ccc3cc2)C	144
+FC(F)(F)Oc1ccccc1SC	2210
+FC(F)(F)S(=O)(=O)N(C)c1c(Oc2c(cc(cc2)Cl)Cl)cc(cc1)Cl	418
+FC(F)(F)c1n(C)c2cc(OC)ccc2c1C(=O)OCC	144
+FC(F)(F)c1c(Cl)ccc(Oc2c(cc(CSC=3N(C=C(Cc4cncnc4)C(=O)N=3)C)cc2)C#N)c1	8417
+FC(F)(F)c1c(c(OC)ccc1)F	65
+FC(F)(F)c1c(ccc(C#N)c1)Oc2ccc(C=C3SC(SC)=NC3=O)cc2OC	4510
+FC(F)(F)c1cc(nc2n(C)nc(I)c12)Cl	2969
+FC(F)(F)c1cc(ccc1)N2C(N(C)C(C(C(OCC)=O)=C2C)c3ccc(C#N)cc3Br)=O	1431
+FC(F)(F)c1cc(N2C(=O)C(c3ccc(cc3)F)(N(C)C2=O)COCC=C)ccc1C#N	1949
+FC(F)(F)c1c(C#N)ccc(c1)N2C(C(N(C)C2=O)(COCC=C)c3ccc(cc3)C#N)=O	1949
+FC(F)(F)c1cc(ccc1)N2C(=O)N(C)C(C(C#N)=C2C)c3c([N+]([O-])=O)cc(cc3)C#N	1431
+FC(F)(F)c1cc([N+](=O)[O-])c(N2CC(N(C)C(OC(C)(C)C)=O)CCC2)cc1	397
+FC(F)(F)c1cc(c(c(C(=O)OC)c1)C)[N+](=O)[O-]	272
+FC(F)(F)c1nc2ccc(-c3cc4ccccc4o3)cc2c(OC)c1	65
+FC(F)(F)c1cc(S(=O)(=O)N(C)C2CCCc3n(ncc23)CC(=O)OCC)cc(F)c1	693
+FC(F)(F)c1cc(ccc1C#N)Oc2ccc(cc2)-c3nc(cc(C=C)n3)C(OC)=O	272
+FC(F)(F)c1c(OC)cc2c(n(cc2C)C)c1	144
+FC(F)(F)c1c(cc2c(ccn2C)c1)F	144
+FC(F)(F)c1cc2ncn(-c3ccccc3)c2c(c1)-c4cc(N(C)C(C)=O)ccc4	239
+FC(F)(F)c1ccc(c2n(C)c(cc12)C(OCC)=O)OCc3ccccc3	144
+FC(F)(F)c1ccc(cc1)-c2cc(C)ccc2C(=O)OC	272
+FC(F)(F)c1ccc(cc1)C2N(C(=O)N(C)c3ccccc3)CCc4c2cccc4	620
+FC(F)(F)c1cc(C)c(C2=NC(C)(C)CO2)cc1	1297
+FC(F)(F)c1ccc(cc1)C=Cc2occ(n2)C(N(c3ccc(cc3)CCCCn4ccnn4)C)=O	816
+FC(F)(F)c1ccc(cc1)N(C(c2ccc(C#N)c(C)c2)=O)C	816
+FC(F)(F)c1cc2c(cc1)N(C(CC2(C)C)c3cc(Br)ccc3)C	891
+FC(F)(F)c1cccc(N2C=3CCNC(=O)C=3C(c4c(cc(C#N)cc4)Br)N(C)C2=O)c1	1431
+FC(F)(F)c1cccc(C(Nc2cc(N3C(c4c(nc(nc4)SC)N(C3=O)C)=O)c(cc2)C)=O)c1	8418
+FC(F)(F)c1cccc(c1)N2C(N(C)C(C=3C(CCC2=3)=O)c4c(cc(C#N)cc4)SC)=O	1431
+FC(F)(F)c1c(-c2c(C)c(cn2C)C(OC)=O)cccc1	819
+FC(F)(F)c1cnc(-c2ccc(cc2)CC(c3n(C)c4ccc(cc4c3SC(C)(C)C)OC)C(OCC)=O)cc1	144
+FC(F)(F)c1cc(c(nc1)-c2cc3N(C)C(N(C(C)C)c3cc2)=O)Cl	620
+FC(F)(F)C=1N(C)C(C(c2c(cc(c(OC)c2)Cl)F)=NC=1)=O	4511
+FC(F)(F)c1n(-c2cc(C=O)c(OC)cc2)nnn1	65
+FC(F)(F)c1cc(n(C)n1)C	1211
+FC(F)(F)c1nc(c(CN2C(=O)N3C=CC(c4ccc(cc4)Cl)=C(c5ccncc5)C3=N2)cc1)COC	76
+FC(F)(F)C=1N(C)C(C(=NC=1)c2c(cc(cc2)Cl)Cl)=O	4511
+FC(F)(F)c1cc(ccn1)N2C=3CCC(=O)C=3C(c4ccc(C#N)cc4Br)N(C)C2=O	1431
+FC(F)(SCC)C(OC)(c1c(F)cc(F)cc1)Cn2cncn2	76
+FC(F)(c1ccc(F)cn1)c2nc3cc(ccc3c(n2)SC)Br	4512
+FC(F)Oc1cc(Br)cnc1OC	766
+FC(F)c1cc(ccc1)N2C=3CCC(C=3C(N(C2=O)C)c4ccc(cc4)C#N)=O	1431
+C1CC(CCC1(F)F)C(C)(C)C(=O)OCC	1389
+CC1(C)C(N(c2c(N(C1)C3CCC(F)(F)C3)nc(Cl)nc2)C)=O	998
+C1CCC1N2c3c(cnc(Cl)n3)N(C(C(F)(F)C2)=O)C	998
+Fc1c(F)cc(F)c(F)c1C	1297
+c1(F)cc(cc(F)c1)C=2C(c3cc(ccc3N(C=2CC)C)F)=O	8419
+c1c(F)c(c(cc1)F)-n2c3c(C=C(Br)C(=O)N3C)cn2	8420
+Ic1c2c(nccc2[N+](=O)[O-])n(C)c1	2211
+Ic1n(C)c2CCNC(c2c1)=O	819
+C=1N(C(C=C(I)C=1)=O)C	8421
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)NC(SC)=NC#N	8422
+c1(c(cccc1)N(C(c2cc(C)c(C#N)cc2)=O)C)-c3ccco3	816
+c1(N=C(SC)NC)cc(C(=O)O)cc(c1)O	8423
+c1(nn(c2c1ccc([N+]([O-])=O)c2)Cc3ccc(C(=O)OC)cc3OC)OC	8424
+CC1=CC(N(c2ccccc2F)N1C)=O	3845
+N1=C(c2cc([N+]([O-])=O)ccc2)C(=CC=3N1C(=O)N(N=3)C)C	2668
+C(C)OC(N1CCC2C(C1)c3cccc4N(C(CN2c34)=O)C)=O	239
+o1c2c(ccnc2Br)nc1SC	8425
+Cc1nc(SC)nc(O)c1C	4311
+n1c(O)cc(CCC)nc1SC	8426
+N1(C)CCCC(C1)C(Nc2nc(-n3cnc4ccccc34)ccn2)C	1022
+S(C)c1nnc(CCCCO)n1C	8427
+Clc1c(cc2CCC(N(c2c1)C)=O)Br	239
+c1(c(c(N2C(c3ccc(OC)cc3N(C2=O)C)=O)ccc1)C)Br	620
+c1(c(c(N2C(c3ccc(cc3N(C2=O)C)F)=O)ccc1)C)Br	620
+c1cc2CCC(N(c2cc1F)C)=O	239
+C(OC)CN1CCC(N(C)c2cnc(Cl)nc12)=O	998
+c1c(OC)c(c(cc1-c2c(c(nc(n2)N)SC)C#N)OC)OC	8428
+c1(-c2nc(nc(SC)c2C#N)N)ccc3OCOc3c1	8429
+CC(C)(O)c1cccc(c1N)C	8430
+O(C)c1c(F)ccnc1N	542
+c1([N+]([O-])=O)ccc(c(NC)c1)O	2971
+N#Cc1nc(Cl)cc(NC)c1[N+](=O)[O-]	2971
+Nc1cc(cc(c1C(=O)OC)F)Br	272
+O(C(=O)CCCc1ccccc1N(C(c2cc(c(cc2)Cl)Br)=O)C)C	816
+COC(OC)c1nc(SC)ncc1	2970
+c1(C(=O)N(c2ccccc2OC)C)cc(c(cc1)Cl)Br	816
+c1(cc(ncc1)OC)-c2nnc(SC)n2C	4513
+CC(C)(C(OCC)=O)c1cc(Cl)c([N+]([O-])=O)cc1	2035
+O(Cc1cccc([N+]([O-])=O)c1)c2cc(c(cc2)C(=O)C)OC	65
+O(C)C1=CN=C(Cl)N(C1=O)C	8431
+COc1c(c(OC)c(OC)cc1)OC	65
+COc1cc2OCCC(c2cc1)=O	65
+O1CCOC12CCC(CC2)(OC)c3c(Cl)cccn3	76
+O1CCOC12CCC(=O)N(CC2)C	782
+O1CCOC1c2cccc(c2)C(C)(C)COC	76
+c1c(ccc2nonc12)C(=O)N(C3CCCOC3)C	497
+c12c(cc(c(c1)O)C(=O)O)cc(cc2)C(=O)OC	272
+O=C1c2cccc(c2N(C)C(=O)N1c3c(C)c(ccc3)Br)C	620
+O=C1c2cccc(F)c2N(C)C(=O)N1c3c(C)c(ccc3)Br	620
+O=C1N(c2c(C)c(ccc2)Br)C(=O)N(C)c3c(Cl)cccc13	620
+O=C1N(c2c(C)c(ccc2)Br)C(=O)N(C)c3ccccc13	620
+COc1c(ccc(c1OC)C=O)[N+](=O)[O-]	65
+O=Cc1c(OC)c(ccc1)O	65
+O=Cc1cc(C)c(c2c1CCC2)OC	65
+c1c(c(C=O)cc([N+]([O-])=O)c1)OC	65
+O=Cc1c(OC)c(Br)cc(c1)Br	65
+c1c(c(cc(c1)-n2nncn2)C=O)OC	65
+O=Cc1ccc(C(=O)OC)s1	272
+O=Cc1c(OC)c2c(cc1)CCC2	65
+O=Cc1c(c(ccc1)OC)Cl	65
+O=Cc1cccc2ccn(C)c12	144
+O=S(=O)(N(c1c(ncc(c1)Br)NC)C)C	4514
+c1ccccc1COc2ccncc2N(S(=O)(=O)C)C	1214
+O=S(=O)(N(C)c1nc(cc(C(OC)=O)c1)N(CCC)C)C	4515
+O=S(=O)(N(c1cc(ccc1)Br)C)C	418
+O=S(=O)(C)N(C)c1c(cc2c(C(=O)NC)c(-c3c(F)cc(cc3)F)oc2c1)Br	418
+c1cc(ccc1-c2c(c3c(o2)cc(N(S(=O)(=O)C)C)c(c3)Br)C(=O)NC)C#N	418
+O=S(=O)(C)N(C)c1ncc(c(C)c1)Br	4515
+O=S(=O)(N(C1CCCOc2ccccc12)C)CC	693
+O=S(=O)(N(C1c2c(OCCC1)c(cc(Cl)c2)C)C)CC	693
+O=S(=O)(N(CCCC=C)C)CCC(OC)=O	693
+O=S(=O)(Cc1ccccc1-c2nnc(SC)o2)N	8432
+c1ccccc1N(C)S(=O)(=O)c2cc(N3C(=O)N(C)c4ccccc4C3=O)c(Cl)cc2	620
+O=S(=O)(N(C)C(CO)C(CC)C)c1ccc(cc1)Cl	693
+c1cc(ccc1Cl)S(=O)(=O)N(C)C(CO)C(=O)OC	8433
+O=S(=O)(C)N(C)c1cc(cnc1N)Br	1214
+O=S(=O)(c1sccc1)N(C)c2ccc(Cl)c3cc(C(OCC)=O)n(COC)c23	1214
+O=S(=O)(N(c1cc([N+](=O)[O-])c(F)cc1)C)c2sccc2	418
+O=S(=O)(N(c1ccccc1C#Cc2cccn3nc(nc23)Cl)C)C	418
+O=S(=O)(C)c1n(C)c2CCCCc2n1	2968
+O=S(=O)(N)c1ccc(c(C(OC)=O)c1)F	272
+c1c2c(ccc1)C(=O)N(C2=O)c3c(OC)cc(S(=O)(=O)N(C)C)cc3	65
+O=S(=O)(c1ccc(c(Cl)c1)Cl)n2c(c(C(C)C(OC)=O)c3cccnc23)C	8434
+O=S(=O)(N(C)c1cccc(c1)-c2nn3c(cc2)nc(c3)NC(C)=O)c4ccc(cc4)C	418
+O=S(=O)(c1ccc(cc1)Cl)N(Cc2ccc(cc2)C(=O)NC(C)COC)C3C(CCCC3)C	76
+c1cc(ccc1S(=O)(=O)N(C2Cc3c(CC2)c(CC(=O)OCC)n4c3cccc4)C)F	693
+O=S(=O)(c1ccccc1)N(c2cc3c(c(c(-c4ccc(cc4)F)o3)C(=O)OC)cc2Br)C	418
+O=S(=O)(N(C)c1ccc(c([N+](=O)[O-])c1)F)c2ccccc2	418
+O=S(=O)(N(c1c2c(ccc1)cc(C(=O)OCC)n2COC)C)c3sccc3	1214
+O=S(=O)(c1ccccn1)N(c2c3[nH]c(C(=O)OCC)cc3cc(OCCOC)c2)C	1214
+O(C)C(OC)C(CNC(=O)c1cc2c(c(N(C)S(=O)(=O)c3ccccn3)ccc2)n1COC)SCc4ccccc4	1214
+c1cc(ccc1S(=O)(=O)n2ccc3C(Br)=CN(C(=O)c23)C)C	4516
+O=S1(=O)Cc2c(cccc2)N1C	418
+O=S1(=O)N(C)CC2(CC(N(Cc3cccc(OC(C)C)c3)CC2)C)N1c4cccc(F)c4	693
+O=S1(=O)c2ccc(OC)cc2N(C(=O)N1c3ccc(cc3)Cl)C	620
+O=S(=O)(N(c1ccc2c(c1)S(=O)(=O)NC(=N2)C=3C(=O)N(C4C(C5CCC4C5)C=3O)Cc6cc(C)c(cc6)F)C)C	418
+N(=[N+]=[N-])CC(OC)Cn1c(Cl)nc(c1)[N+](=O)[O-]	76
+c1(cc(cc(Br)c1OC)F)[N+]([O-])=O	65
+c1(cc(C)cc(O)c1)OC	65
+c1(nc(c2c(n1)scc2)-c3c(cccc3)F)OC	8435
+C1=C(C=2C(=O)N(C(=NC=2c3cc(F)ccc3)N)C)C=CC(=O)N1C	8436
+C1(C(SC(SC)=N1)=Cc2cc3c(cc2)nc(o3)C)=O	4510
+C1c2c([nH]c3ccccc23)C(N(C(SC)=S)C1C(O)=O)CCC	8437
+n1[nH]c(nn1)C2Cc3c4ccccc4[nH]c3CN2C(=S)SC	8438
+c1([N+](=O)[O-])c(c(Cl)cc(c1C(=O)OC)Cl)OC	272
+[N+]([O-])(=O)c1cc(c(OC)cc1F)F	65
+c1c(cc2Cc3c4c(C)cc(C)cc4n(C)c3-c2c1)F	144
+c1cn(C)c2nc(nc(Cl)c12)Cl	2211
+n1n(C)cc(c1C(=O)N)[N+](=O)[O-]	1211
+c1c(C(=O)c2ccccc2Cl)cc(c(OC)c1Br)CC	65
+Cc1n(c(C#N)c(c1C(=O)C)C)C	819
+c1(C(=O)N2CC(OC)CC2)cc3nccc(Cl)c3s1	76
+c1(C(=O)c2cc(Cl)nc(n2)C)cc(C)c3c(OC(=O)N3C)c1	1743
+c1(C(=O)c2cc(Cl)ncn2)cc(C)c3c(OC(=O)N3C)c1	1743
+c1(C)c(n(C)nc1)C(=O)OC	1211
+C(CC(=O)O)C(OC)c1cc(C)c(F)cc1	76
+c1(C)cc(ccc1F)C(OC)CC(CC=C)C(=O)O	76
+c1(C=O)cc2c(cc1)n(cc2Cc3c(cc(cc3)C(=O)OC)OC)C	144
+c1(C=O)ccc(c(c1)CC=C)OC	65
+c1(CCl)occ(n1)COC	76
+O(C)Cc1occ(n1)C(=O)OC	76
+c1(Cl)c(F)cc2ccn(c2n1)C	2211
+c1c(c(Cl)ncc1C(=O)OC)OC	542
+O(c1c(Cl)nccc1)C	542
+O(c1cc(Cl)cnc1Br)C	542
+c1n(c2c(c(Cl)nc(n2)Cl)n1)C	4115
+O(C)c1c(C(=O)C)cc(c(F)c1Br)Cl	65
+c1(cc(cc(F)c1C(C(OCC)=O)OC)OCC)F	8439
+O(C)c1c(I)c(C)c(Cl)cc1C(=O)C	65
+c1c(c(c(N)c(c1)C#N)C)OC	65
+c1(c2OCOc2ccc1Cl)N(C)c3nc(Cl)ncc3	1121
+CCC(c1ccc(c(F)c1OC)F)=O	65
+COc1c([N+]([O-])=O)c(ccc1)O	65
+NC1=NC(Cl)=CC(N1C)=O	8440
+c1([N+]([O-])=O)ccc2c(c1)n(cc2)C	144
+COc1cc([N+]([O-])=O)ccc1CC	65
+O(CCc1cc([N+]([O-])=O)ccc1Br)C	76
+c1([N+]([O-])=O)ccc2n(C)nc(c2c1)C#N	2158
+c12c(cc([N+]([O-])=O)cc1)N(C(=O)O2)C	1743
+n1n(C)c(cc1C(=O)OC)[N+](=O)[O-]	1211
+c1(c(c(C)ccc1)C(=O)OC)Br	272
+O=S(=O)(C)c1c(c(C(O)=O)c(F)cc1)F	8441
+c1(c(C2=NC(C(N(C)c3ccc([N+]([O-])=O)cc23)=O)C)cccc1)F	239
+O(C)c1c(c(F)c(Cl)cc1C(=O)C)I	65
+COc1c(c(F)ccc1[N+]([O-])=O)F	65
+c1(c(F)ccc(c1)C(=O)OC)[N+]([O-])=O	272
+c1(c(F)cccc1Cl)-c2nc3cc(C(C)C(OC)=O)ccc3o2	643
+c1([N+]([O-])=O)cccc(OC)c1N	65
+c1c(ccc2c(c(n(c12)C)-c3cnccc3)C#N)F	144
+Cn1nc(N)c(c1N)C#N	1211
+N1=NN(c2c(c(Br)ccc2)C)C(=O)N1C	2493
+c1(C(=O)OC)c(c(cnc1)F)Cl	272
+c1ncn(c1)CCC(=O)c2c(C)n(c3ccccc23)C	144
+COc1c(c(F)ccc1)F	65
+c1(c2c(nccc2Br)n(C)c1)C=O	2211
+c1ncc2C(N(C=C(Br)c2n1)C)=O	8442
+C(c1cn(c2ccc([N+]([O-])=O)cc12)C)c3c(cc(cc3)C(=O)OC)OC	144
+c1(cc(C=O)ccc1)-c2nnn(C)n2	1694
+c1(cc(C(=O)OC)c(cc1Br)[N+]([O-])=O)F	272
+c1(cc(Cl)c(OC)cc1F)[N+]([O-])=O	65
+C(=O)(c1cc(cc(Br)c1C)F)OC	272
+c1(C)cc(cc(C)c1C=2C(=O)CCC=2OC)Br	8443
+c1(cc(cc(C)c1N=C2N(C(N(C)C(=C2)c3ccc(O)c(OC)c3)=O)C)C)C	65
+C1C(CC1)N(C)C(c2cc(ccc2OC)Oc3c(cc(cc3Cl)COC)Cl)=O	497
+Fc1cc(cc(F)c1[N+](=O)[O-])OC	65
+c1(cc(cc(C(=O)OC)c1C)Br)[N+]([O-])=O	272
+c1(C)nc(-c2nc(ccc2)Br)cc(OC)c1	65
+c1ccc(-c2nc3ccccc3n2C)cc1Br	1652
+c1(cc(N(C(C)=O)C)ccc1)Br	239
+c1(cc2N(C(=O)Oc2cc1Br)C)F	1743
+c1(cc2c(n(cc2)C)cc1Br)F	144
+c1cc(Br)nc(C(=O)OC)c1OC	542
+Clc1cc(OC)c(cc1)[N+]([O-])=O	65
+c1(cc(NC(C)=O)ccc1[N+]([O-])=O)OC	65
+c1(c(c(c(F)cc1)F)C(=O)OC)Br	272
+c1c(c(cc(c1)C(=O)OC)C#N)OC	65
+c1(ccc2Cc3c(-c2c1)n(C)c4ccccc34)OC	144
+c1(cccc(C#N)c1)-n2nc(nn2)C3N(C(SC)=NC)CCC3	1956
+c1(cccc(c1)CCC=2N=C(N)N(C(=O)C=2)C)Br	8444
+c1cc2ccccc2c3c1N(C(=O)CC(=O)N3C)c4cc(ccc4)C#N	239
+c1(cccnc1Br)COC	76
+C=1N(C(C(=CC=1)C(=O)OC)=O)C	8445
+c1(ccnc(OC)c1Br)C	766
+CSc1nc(nc(SC)c1C#N)N	4512
+c12c(ncc(Br)c1n(cc2)C)Br	144
+O(C(CCCCCCn1ccc(n1)-c2c(cccc2)OC)=O)CC	65
+c1cc2C(N(C)N=Nc2s1)=O	8446
+c12OC(=O)C3=C(C(C(C(=O)OCC)=CN3C)=O)c1cccc2	8447
+Cc1cn(c2C(CCNC(=O)c12)=O)C	819
+Cn1cc(C)c2c1cccc2	144
+O(C)C(c1c2ccccc2n(C)c1)=O	144
+CC1(C(=O)OC)CCOc2c1cc(c(F)c2)C#N	2035
+C1(=C(C(N(C)c2c1cccn2)=O)C(=O)C)O	8448
+c1(c2c(cccn2)n(C)c1)C=O	8449
+c12c(cc(cc1C(OC)=O)CCOC)cccc2	76
+C1c2c(CC1(c3cn(Cc4ccccc4)cn3)COC)cccc2	76
+c1c2cc(C)c(cc2ccc1)C(C#N)C	4517
+CN(c1c(CC)cc(-c2cccs2)nc1)c3ncc4c(c3)n(cn4)C	8450
+CN1C(=O)c2c(Cl)nc(cc2N=C1)Cl	8451
+C(C)OC(C=1C(c2c(ccc(C(=O)c3c(c(OC)c4ccccn34)C)c2)N(C)C=1)=O)=O	8452
+c1cc2ccccc2c(OC)c1Br	65
+COc1cccc2ccc(C)nc12	542
+c12cccc(OC)c1ccc(N)c2	65
+c12ccccc1-c3c(cccc3)C2COC(NC(CO)(C(OC)=O)C)=O	325
+c12nc(C)ccc1C(=O)N(C)c3ccccc3N2	816
+c1c(c(SC)c2ccccc2n1)N	2210
+c1[nH]c2c(c1CC(OC)=O)cc(OC)cc2	325
+c1c(Br)cc2CN(C(c2c1)=O)C	497
+c1c(C)c(C(=O)OC)c(Cl)nc1Cl	272
+c1c(C)c(c(cc1)C)COc2cccc(c2)C(C(=O)OCC)C	643
+c1(C)cc(cc(C)c1C#N)C(C(c2c(cc(OC)cc2)Cl)C)=O	1566
+c1c(C)c(c(cc1COC)C)Oc2nc(cc(NC(CC)CC)c2C)C	76
+c1(OC)cc(F)cc(c1)CC(OC)=O	65
+c1c(c(Br)c(C)cc1)CCOC	76
+c1c(CO)c2N(CCCc2cc1)C	891
+c1(F)cccc(F)c1Cc2cc(OC)c(OC)c(c2)Br	65
+c1c(I)cc(c(NC2=CC(=O)N(C)C=C2[N+]([O-])=O)c1)F	8453
+c1cc(c(Br)nc1I)OC	542
+c1(cccc(NC)n1)N	4514
+c1c(O)c(C2=NN(C)C(=O)O2)ccc1	8454
+c1c(c(c(cc1C(=O)OC)O)Cl)OC	65
+c1(OC)cc(cc(O)c1)C(=O)C	65
+c1c(OC)c(Br)cc(-c2n(c(cc2C)C(=O)OC)C)c1	819
+CC(C)(C(=O)OC)C(=O)c1c2c(c(OC)cc1)nc(CC)cc2	8455
+COc1cc(cc(OC)c1)C(c2ccc3ccn(C)c3c2)=O	144
+c1c(OC)ccc([N+]([O-])=O)c1F	65
+c1c(c(c2cc(C)n(c2c1)C)F)OC	144
+c1c(F)c(ccc1OC)C#N	65
+c1c(Br)c(OC)c(cc1C(=O)OC)F	65
+c1c(F)c(c(cc1F)OC)[N+]([O-])=O	65
+c1c(c(C)cc(OC)c1F)Br	65
+c1(c([N+]([O-])=O)cc(CC)c(F)c1)OC	65
+C(OC)C1Oc2c(cc(C)cc2C1)[N+]([O-])=O	76
+c1c(cc(C)c(C(=O)OC)c1)Br	272
+c1cc(c(cc1I)C=O)OC	65
+c1(ccc(I)c(c1C)Cl)Br	1297
+c1c(cc(Cl)c(c1)C(C)C(c2c(F)cc3OCC(N(c3c2)C)=O)=O)Br	1566
+c1c(cc(Cl)c(c1)C(C)C(c2cc3N(C(COc3cc2)=O)C)=O)Br	1566
+N1(C(=O)N(c2ccc(cc2F)Br)C=N1)C	2668
+c1c(cc(SC)c(Cl)c1)Br	2210
+c1c(cc(c(F)c1)OC)Br	65
+c1c(cc(c(Nc2c(c3c(cc2C(=O)OC)n(cn3)C)Cl)c1)Cl)Br	1652
+c1c(cc2N(C(COc2c1)=O)C)Br	239
+c1c(cc2C3(CN(C)CC3)CN(c2c1)C(Nc4ncc(Cl)s4)=O)Br	1022
+c1c(cc2n(c3CCCC(=O)c3c2c1)C)Br	144
+c1cc2n(c3c(C(NCC3)=O)c2cc1F)C	144
+COc1cnc(cc1)Br	542
+Clc1cc(N(C)C=O)ccc1F	816
+c1c(cccc1CCC(OC)=O)O	325
+COc1cccc(SC)c1	2210
+c1cc(OC)cc2CCC(Nc12)=O	65
+c1c(ccc2nc(SC)sc12)O	8456
+c1cnc(nc1-c2cn(C)c3ccccc23)Cl	144
+C1c2ccccc2N(C)C(=O)C1	239
+c12CCOC(N(C)c1cccc2)=O	1743
+c12c(cccc1Cl)N(C(C2=O)=O)C	3567
+c1c2ccc(nc2c(c(c1)F)C)OC	766
+c12N(C)CCCc1cccc2	891
+n1(c(SC)nnc1-c2ccc3ccccc3c2)C	4513
+C=1c2c(cccc2)N(C)C(=O)C=1C(=O)OCC	8457
+c12c(ccc(c1F)Br)ccn2C	144
+c1(ccc(cc1OC)F)Br	65
+c1cc(CNc2nc(nc(c2C(=O)OC)Cl)Cl)cc(Cl)c1OC	272
+c1c(cc(Br)c(c1OC)OC)C2c3c(OC(=C2C#N)N)c4cccc(OC)c4cc3	65
+COc1ccc2N(C(CC(CC(OC)=O)c2c1)=O)C	239
+c1cccc2sc3c(OC)cccc3c12	8458
+c1c(OC)c(ccc1C(=O)OC)C#N	65
+c1c(c(ccc1C(=O)C)CC)OC	65
+c1c(c(C(=O)O)c(c(F)c1)C)OC	1297
+c1cc(ccc1)-c2c(c3c(ccc(c3)Br)n2C)C	144
+c1cc(ccc1)-c2c(c3ccccc3n2C)C(C)=O	144
+c1cc(ccc1)-c2cc(c(OC)cc2)I	65
+c1cc(ccc1)-c2noc(c2-c3oc(nn3)-c4cc5ccn(C)c5cc4)C	144
+c1ccccc1C(N(CC(CCOC2OCCCC2)c3cc(Cl)c(Cl)cc3)C)=O	497
+c1cc(ccc1)C(CC=C)(COC)C	76
+C1CCCC1C(c2ccccc2)(C)C(=O)OC	2035
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)NC(COc4c5c(ccc(c5)Cl)on4)COC	76
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC4CC(CCC4NC(=O)OCc5ccccc5)OC	76
+c1cc(ccc1)COCC2CC2(CN(C)S(=O)(=O)c3ccccc3)c4ccccc4	693
+c1ccccc1C2CCc3c(-c4c(C)onc4C)ccc5N(C(=O)N2c35)C	620
+c1cc(ccc1)CC2N(Cc3c(C(=O)N(C2)C)cccc3)S(=O)(=O)c4ccccc4OC	497
+c1ccccc1CN(Cc2ccccc2)CC(OC)CN3CCN(CC3)C(=O)OC(C)(C)C	76
+c1cc(ccc1)COC(=O)N2CC(COC)(CC2)F	76
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3nc(OC4CC(C=C4)OC)c5ccccc5n3	4237
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(OC)=O	325
+c1cc(ccc1)COC(=O)c2c(C)n(C)c3ccc(cc23)OCCCl	144
+c1ccccc1COCC(OC)COCCCCCCCCCCCCC2CCCCC2	76
+c1cc(ccc1)COCC(F)(F)CCCOC	76
+c1cc(ccc1)COc2nc(cc(OC)c2C(=O)OCC)C	65
+c1cc(ccc1)COc2cc3c(c(c2)Cl)cc(C(=O)OCC)n3C	144
+c1cc(ccc1)N=C2NC=CC(=O)N2C	8459
+c1cc(ccc1)Oc2c(C(OC)=O)cc(C(=O)c3ncc(cc3)N(C)c4ccc(cc4)Cl)cc2	4085
+c1ccccc1S(=O)(=O)n2c(cc3c2nccc3Br)C	4518
+c1cc(ccc1)S(c2c3c(cccc3)n(c2)C)=O	144
+c1cc(ccc1Cl)-c2n(C)cc(C(OCC)=O)c2C	819
+c1cc(ccc1-c2n(C)c3c(c2CCC(=O)O)cc(cc3)Cl)Cl	144
+c1ccccc1-c2ccc(cc2)-c3c(F)cc4nc([nH]c4c3)SC	8460
+c1cnccc1-c2c(n(C)c(Br)c2-c3ccc(cc3)F)C(=O)OC	819
+c1cc(ccc1OC)-c2nsc(NC(=O)C3C(C)C3)c2C	65
+c1cc(ccc1OC)-c2nc(SC)nnc2-c3ccc(cc3)OC	2970
+c1cc(ccc1C(N(C)Cc2cccc(c2)OC)=O)-c3cc(ccc3C)-c4nnc(C)o4	497
+c1cc(ccc1-c2c(cc(cc2)N3C(N(CC3)C)=O)C)C(OC)=O	2972
+c1cc(ccc1C(=O)N(OC)C)-c2nnn(C)n2	1694
+c1cc(ccc1-c2c(c3c(cc(N(S(=O)(=O)C)C)c(c3)Br)o2)C(=O)NC)F	418
+c1cc(ccc1-n2ncc3cc(I)ccc23)C(OC)=O	272
+c1cc(ccc1-c2c(cn(C)c2C(OCC)=O)C#N)Br	819
+c1cc(ccc1Br)C(C)C#N	4517
+c1cc(ccc1Br)C(C(=O)O)C	643
+c1cc(ccc1Br)CC(c2ncc(CC(C)(C)CC)n2C)N(C)C(=O)OCc3ccccc3	4239
+c1cc(ccc1C(c2cc3c(cc2)N(C)C(C=C3c4cccc(OC)c4)=O)=O)Cl	4509
+c1cc(ccc1C(=O)N(CC2CC2)C)-c3cc(ccc3C)-c4nnc(C)o4	497
+c1cc(ccc1N(C)CCOC)C(OCC)=O	76
+c1cc(ccc1C(c2cc(C)c(c(C)c2)OC)=O)[N+](=O)[O-]	65
+c1cc(ccc1C)C2=C(C(CCC)C(OC)=O)C(N(C)C(N3CCCCC3)=N2)=O	8461
+O1CCOC12CCC(CC2)(OC)c3ccc(cc3)F	76
+c1cc(ccc1NC(Nc2ccccc2Oc3n(-c4ccccc4Cl)nc(c3)C)=O)C5CCN(CC5)C	1022
+c1cc(ccc1Cl)C2CN(C(=O)c3sc(Br)cc23)C	497
+c1cc(ccc1[N+](=O)[O-])-c2[nH]c(SC)nc2	8462
+c1cc(ccc1)CC2COC(=O)N2C(=O)C(c3ccc(cc3)OC)C	2528
+c1cc(ccc1CC(OC)=O)-c2nccnc2Cl	325
+c1cc(ccc1Br)C(C(=O)OCC)C	643
+c1cc(ccc1CNC(c2cnc3n(ncc3c2)C)=O)S(=O)(=O)c4ccccc4	2969
+c1cc(ccc1CCCOC)Cl	76
+c1cc(ccc1Cl)Nc2ncnc3cc(OC)c(c(CC=C)c23)OC	65
+c1cc(ccc1F)-c2ccc(cc2)C(N(C)C3CCc4cc(ccc4C3)C#N)=O	497
+c1cc(ccc1Cl)N(C(c2c(-c3ccc(cc3)F)nc4ncccn24)=O)C	816
+c1cc(ccc1F)-c2c(c3c4CC(C)Oc4c(cc3o2)N(S(=O)(=O)C)C)C(NC)=O	418
+c1cc(ccc1F)C(=O)C2CCN(CC2)c3ccc(nn3)C(N(C)CCC4CC4)=O	497
+c1cc(ccc1F)Cc2ccccc2OC	65
+c1cc(ccc1F)S(=O)(=O)N2CCN(CC2C(=O)OCC)C	1022
+CC(C)(OC)c1ccc(cc1)N2C(CC)=NC(CCC)=C(Cc3ccc(cc3)-c4ccccc4C#N)C2=O	76
+C1CN(CCC1(OC)CC2CCCCC2)c3ccc(cc3)C(=O)OCC	76
+C1CN(CCC1(OC)Cc2c(F)cccc2)c3ccc(cc3)C(OCC)=O	76
+c1cc(ccc1[N+]([O-])=O)N(C)C(=O)CC	239
+c1cc(ccc1N(CC#N)C)F	891
+c1cc(ccc1C2C(C(OCC)=O)N(C(=O)C2)C)OC	65
+c1cc(ccc1OC)-c2ccc3c(ccc(OC)c3C)c2	8463
+c1cc(ccc1CN2C(=O)C(N(C2=O)C)CC(OC)=O)OC	1949
+c1cc(ccc1Br)OCC(OC)CN(C)C	76
+CC(C)(C(OCC)=O)Oc1ccc(cc1)OCCC2N(C(N(Cc3cc(C)c(C)cc3)C2)=O)C	2972
+c1cc(ccc1-n2c3ccccc3cc2CCOC)OCc4ccccc4	76
+c1cc(ccc1Oc2cc(C(=O)OC)cc(OC3C(=O)N(C)CC3)c2)-c4oc(C)nn4	782
+c1cc(ccc1OC)S(=O)(=O)N(c2c(C(OC)=O)cccc2C)C	418
+c1cc(ccc1Br)S(=O)(=O)N(c2cccc(OC)c2)C	418
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(C)c5cc(OCc6ccccc6)c(OC)cc45)C	144
+c1cc(ccc1Sc2ccc([N+](=O)[O-])cn2)CCC(=O)OC	325
+c1cc(ccc1[N+]([O-])=O)C(COC)CC	76
+c1cc(ccc1N2CCCN(C2=O)C)[N+]([O-])=O	2972
+c1c(Br)cc2CCC(N(c2c1)C)=O	239
+c1c(Br)cc2CC(C)N(C)c2c1	891
+S(C=1N(C(=O)c2c(ccc(c2)Br)N=1)C)C	8464
+N1(C)C(=O)c2n(c(cc2Nc3ccccc13)C)C	816
+c1cc2cnc(CCCOC)n2cc1Br	76
+O=C1c2ccccc2C(=O)N1c3n(nc(-c4ccccc4)c3)C	1211
+c1cc2c(-c3c(cccc3)C2(COC)CO)cc1	76
+c1c2c(ccc1)c3c(cccc3)n2C	8465
+c1(C=2C(=O)N(C)C(C=2Br)=O)cn(C)c3ccccc13	144
+c1cc(ccc1)-c2n(C)c3c(cc(Br)cc3)c2CCCCC	144
+c1ccccc1-c2c(c3c(Br)cccc3n2C)C	144
+c1ccccc1-c2c3c(N=C(N(C)C3=O)SC)oc2Br	8466
+c1ccccc1-c2ccc(cc2)-c3cc(cc4ccn(C)c34)[N+](=O)[O-]	144
+c1ccccc1C(=O)c2c(N)c(ccc2)CC(OC)=O	325
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(OC)CSCCCCCCCCCCCCCCCC	76
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(CSc4ccccc4OC)OC	76
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(OC)COCc4ccccc4	76
+c1ccccc1C(OC)c2cc(SC)ncn2	76
+c1cc(ccc1)-c2nc(SC)sc2C	8467
+c1ccccc1C=Cc2cc(ccn2)-c3[nH]c4c(c(nc(SC)n4)O)c3	8468
+c1ccccc1COC(=O)NC(Cc2ccccc2)C(=O)OC	325
+c1cc(ccc1)C(C)C(OCC)=O	643
+c1ccccc1CCCN2c3c(N(C(=O)C(F)(F)C2)C)cnc(Cl)n3	998
+c1ccccc1CN(C2CC3C(CN(C)C(=O)C3)C2)C	782
+c1ccccc1CN(Cc2ccccc2)CC3CCN(CC3)CC(C)(C)OC	76
+c1ccccc1CN(Cc2ccccc2)c3c(COC)c([N+](=O)[O-])ccc3	76
+c1cc(ccc1)CN(C)CC2CNC(=O)c3c4c(ccc3)[nH]cc24	1022
+c1ccccc1COC(=O)N2CCC34CCCCC3C2Cc5c4cc(c(I)c5)OC	65
+c1ccccc1COC(N(C)CC(=O)N(C)c2ccc(cc2)COC)=O	76
+c1ccccc1COC(N2CCC34c5cc(OC)c(cc5CC2C3CCCC4)[N+]([O-])=O)=O	65
+c1ccccc1COC(NC(C(OCC)=O)CCC(NC(Cc2c[nH]c3c2cccc3)C(=O)OC)=O)=O	325
+c1ccccc1COC(NC(Cn2c3cc(OC)ccc3cn2)C)=O	65
+c1ccccc1COC(=O)Nc2cc(I)cnc2OC	766
+c1ccccc1COc2ccc(nc2C(OC)=O)OC	766
+c1ccccc1COC2=CC(=CN(C2=O)C)Br	8469
+c1cc(ccc1)COc2cc(C(=O)OC)cc(OC)c2Br	65
+c1ccccc1COc2cc(c3c(Oc4c(cccc4)C3=O)c2)OC	65
+c1ccccc1COc2cc(C(OC)=O)c(OC)cc2	65
+c1ccccc1COc2c(OC)c(cc(F)c2)CO	65
+c1ccccc1COc2cccc(C3(CCOC(C3)C)OC)c2	76
+c1ccccc1COc2ccc3c(n(cc3C(C(OC)=O)=O)C)c2	144
+c1ccccc1COc2ccc(C#N)c(OC)c2	65
+c1ccccc1COc2ccc(Cl)c3cc(n(C)c23)C(=O)OCC	144
+c1ccccc1COc2cc3ccn(C)c3cc2	144
+c1ccccc1COc2nc(C)cc(C)c2CN3CCc4c(cc(C(OC)CC)c(Cl)c4C3=O)Cl	76
+c1ccccc1Cc2c3c(n(C)c2C)ccc(Br)c3	144
+c1cc(ccc1)Cc2c(OC)ccc(Br)c2	65
+c1ccccc1Cn2c3c(C(=CN(C3=O)C)Br)cc2C(=O)OCC	4516
+c1ccccc1Oc2cccc3c(OC)c(nc(c23)Br)C(=O)OC	542
+O=S(=O)(c1ccccc1)n2c(C)cc3c2ncc(c3)OC	4518
+c1nc(Cl)nn1-c2ccc([N+]([O-])=O)cc2OC	65
+c1nc(c2CN(C(=O)c3cc(ccc3-n12)F)C)C(=O)OCC	497
+c1nc(ncc1)N(C)c2ccc(cc2)I	8470
+c1nc(ncc1Br)COC	76
+c1nc(ncc1COC)Cl	76
+n1(ncc2c1cncc2Br)CCOC	76
+n1c(c(ccc1OC)N(C(=O)c2cccnc2Cl)C)Br	8471
+c1c(c(nc(C)c1)Br)OC	542
+c1c(c(nc(c1)CO)Br)OC	542
+n1c(OC)ccc(c1)C=2C(=O)N(C(=NC=2c3cc(F)ccc3)N)C	8472
+c1c2ncccc2ccc1OC	65
+c1n(C)cc(n1)[N+](=O)[O-]	2968
+c1cc(cc(OC)c1F)C#Cc2cc(C#N)cnc2	65
+n1cc(OC)ccc1F	542
+c1ncncc1N(C)c2cc(cc(Cl)c2)Br	8473
+c1nc(ncc1Cc2cnc(SC)nc2O)C	4519
+c1nc(ncc1Cc2cnc(SC)nc2O)OC	4519
+o1c(-c2csc(c2)Cl)cc(C3N(C(SC)=NC)C4CC4C3)n1	1956
+o1c2c(C(N(C=C2Br)C)=O)cc1C=O	8474
+o1c2cccc(OC)c2c(C)c1C(=O)OCC	65
+c12c(c(C(=O)C)c[nH]1)ccc3OCCc23	8475
+c1cc(ccc1C#N)-c2scc(-c3ccccc3)n2	8476
+c1cc(ccc1)CC(CN(C)C)N	15
+FC(F)(F)c1cc(ccc1CN2CCC(CC2)C=C3SC(N=C3NC(C(=O)N(C)C)CO)=O)C(F)(F)F	8477
+CN(C)C(C(CO)N)=O	334
+CN(C)CC1(CCCCC1)c2cc(c(Cl)cc2)Cl	15
+CN(C)C(C1C(=O)Nc2cc(N)ccc2C1)=O	890
+CN(C)C(C=1C2N(C(=O)N(C(COC)C=1)C2)OCC=C)=O	4236
+CN(C)CCCc1cc(c[nH]1)CCCC	15
+CN(C)C(=O)COc1ccc2c(n(nc2)-c3c4CS(=O)Cc4nc(n3)-c5sc(cc5)Cl)c1	441
+CN(C)C(=O)COc1ccc2c(n(-c3nc(-c4sc(cc4)Cl)nc5c3CSC5)nc2)c1	2973
+CN(C)C(=O)Cn1ncc2cc(ccc12)Oc3ccc(cc3CN)F	107
+CN(C)C(N1c2c(c(Nc3ncc(C#N)s3)ncc2)CC1)=O	1178
+CN(C)Cc1[nH]c2c(cc(Br)cc2)c1	729
+c1cc(ccc1NC(Nc2ccc(C(N(C)C)=O)c(c2)F)=O)Br	124
+CN(C)Cc1cccc(c1)NS(=O)(=O)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3	162
+c1cc(ccc1O)-c2cc(C(N(C)C)=O)cc(C#CCCCCCc3c(c(OCCCC(=O)O)ccc3)CCC(O)=O)c2	11
+CN(C)Cc1cc(N)ccc1Br	162
+CN(C)C(=O)c1oc2c(c1)cccc2N3CCNCC3	25
+CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3c(s2)-c4c(cc(cc4)C(O)=O)OCC3)c(Cl)c1	1
+CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3CCOc4cc(C(OC)=O)ccc4-c3s2)c(Cl)c1	833
+CN(C)C(c1cnc(cc1)N)=O	1341
+CN(C)C(c1c2c(n(-c3nc(N)ncc3)n1)cc(cc2)Br)=O	2973
+C1CN(CCN1c2cccc3c2oc(c3)C(N(C)C)=O)CCc4nc(ccc4)OC	236
+CN(C)C(C(Oc1c2c(ccc1)ncnc2Nc3ccc4n(Cc5ncccc5)ncc4c3)C)=O	2212
+CN(C)C(=O)C(N=C1NC(SC1)=O)CO	8478
+c1cc(ccc1NC(=O)C)C(C(CC)N(C)C)O	74
+CN(C)C(CN)(C)CCCC	51
+CN(C)C(C1Cc2c(NC1)cc(cc2)N)=O	8479
+CN(C)CC1Cc2ccccc2NC1	8480
+c1cc(ccc1C2C(C2)CN(C)C)Br	15
+CN(C)CC1Cc2c(cc(cc2)N)NC1	15
+c1cc(ccc1Cl)-c2n(c(C(=O)CC)cc2C)CC	8481
+CN(C)C(=O)Cn1ncc2c1ccc(Oc3c(cc(cc3)F)C#N)c2	8482
+c1(nc(nc(C)c1C(NC(CNC(c2cccs2)=O)C(OCC(N(C)C)=O)=O)=O)NCCCc3cccc4c3cn[nH]4)C	3350
+CN(C)C(C)(CCCC)CNC(=O)c1ccc(c(Cl)c1)Cl	93
+C1CN(CCN1CC(N(C)C)=O)c2cc(OC)c(Nc3ncc(c(-c4c5n(nc4)cccc5)n3)Cl)cc2[N+](=O)[O-]	34
+CN(C)C(CN1CCc2cc(N)ccc2CC1)=O	0
+CN(C)C(CN1CCc2ccc(cc2CC1)Nc3ncc(c(Nc4c(F)cccc4C(=O)NCC)n3)Cl)=O	55
+c1cc(ccc1F)CN(C(=O)CC(C(=O)OC)=O)OCC(=O)N(C)C	2935
+O=S(=O)(C)c1cn(c2nc(-c3cc(c(cc3)OC)F)nc(C)c12)-c4cccc(OCC(=O)N(C)C)c4	4520
+CN(C)C(COc1ccc2CCN(c3c4c(CS(=O)C4)nc(-c5cccnc5)n3)c2c1)=O	4521
+CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2	15
+ClC(Cl)(Cl)c1nc(OC(N(C)C)=O)cc(CCl)n1	8483
+CN(C)C(=O)NC1Cc2c(n(Cc3nc(F)ccc3)c4ccc(cc24)C#N)C1	2675
+CN(C)C(=O)Oc1cc(F)ccc1C#N	2047
+c1cc(ccc1Br)N2CCC(CC2)OC(=O)N(C)C	2469
+CN(C)C(N(CCO)CCCc1ccc(cc1)C#N)=O	776
+CN(C)C(N(CCO)CCOc1ccc(cc1)C#N)=O	776
+c12c(cccc1)C(=O)N(C2=O)CCCCc3ccc(cc3)OC(=S)N(C)C	8484
+c1c(F)c(c(cc1OCC)F)Cn2c3CCCc3c(-c4nc(c(OC)cn4)N)n2	8485
+C1CC1c2n(nc(c2C)-c3nc(c(OC)cn3)N(C)C)Cc4ccc(cc4)OC	8486
+CN(C)C=CC(=O)c1c(C)n(c(C#N)c1C)C	8487
+c1ccccc1CN2CC3CC(C(=CN(C)C)C3=O)C2	8488
+c1cc(ccc1C(=O)N2CCC(C(c3c2cccc3)=O)=CN(C)C)[N+]([O-])=O	4522
+CN(C)C=C(COC)C(=O)c1c[nH]c(C(=O)NC(CO)c2ccccc2)c1	4522
+CN(C)C(N(CC=O)CCCc1ccc(cc1)C#N)=O	24
+c1cc(ccc1C#N)OCCN(C(=O)N(C)C)CC=O	24
+c1cc(ccc1-c2nc(sc2)N(C)C)[N+](=O)[O-]	354
+CN(C)C(=O)N1c2ccnc(N)c2CC1	2664
+CN(C)C=CC(=O)c1ccnc(Cl)c1	8489
+CN(C)C=Nc1c(C#N)c(Nc2cc(ccc2)C)n[nH]1	8490
+CN(C)C(c1c(nc2n(C(C)C)nc(c2c1NC3CCOCC3)C)-c4cccc(OCC5OC5)c4)=O	72
+CN(C)C(c1c(-c2cccc(OCC(CNC)O)c2)nc3n(C(C)C)nc(c3c1NC4CCOCC4)C)=O	122
+C[Si](C)(C)C#Cc1cc2c(cc1)c(C(N(C)C)=O)nn2-c3ccnc(N)n3	8491
+CN(C)C(=O)c1cc(cc(c1)C#CCCCCCc2c(c(OCCCC(=O)O)ccc2)CCC(O)=O)Br	121
+CN(C)C(=O)c1ccc(N=[N+]=[N-])nc1	8492
+C[Si](C)(C)CCOCn1cc(-c2ccncc2)c3c1nc(nc3NC4CCOCC4)Nc5c(C)cc(cc5)C(=O)N(C)C	55
+CN(C)C(=O)c1c(cc(N)cc1)F	0
+n1cccnc1C(O)(C#Cc2ccc3c(C(N(C)C)=O)nn(-c4ccnc(N)n4)c3c2)C	8493
+CN(C)C(c1oc2c(F)c(c(c(C#N)c2n1)C)-c3nc(sc3)C)=O	963
+CN(C)C(c1oc2c(N3CCC(N(C)C)C3)c(-c4nc(C)sc4)c(C)c(C#N)c2n1)=O	8494
+CN(C)C(c1oc2c(N3CCN(CC3)CCc4cc5c(cc4)N(CC5)C(C)=O)cc(cc2c1)F)=O	28
+CN(C)C1(CN(CC1)c2ccc(cc2F)N3C=Cc4cc(OCC5OCCC5)ccc4C3=O)C	79
+C1CC(CCC1CC(OCC)=O)(N(C)C)c2cccnc2	774
+c1(C)cc(cc(C)c1S(=O)(=O)N(CCOCC(N(CCC2CCC(CC2)(N(C)C)c3cnccc3)C)=O)C)OC	10
+CN(C)C1(CCNCC1)c2cccnc2	25
+CN(C)C1CCNCC1C	215
+CN(C)C1CNC(C(N)=O)C1	327
+c1ccccc1C(c2ccccc2)=Nc3c(c(C=4CCC(CC=4)N(C)C)ccc3)F	2017
+CN(C)C1CCC(c2cc(F)cc(N)c2)=CC1	1599
+CN(C)C1CCN(C1)C(=O)Nc2nccc(Oc3cnc(cc3)N)c2	161
+CN(C)C1CCN(CC1)C(CCc2n(CC(O)=O)ccn2)=O	3
+CN(C)C1CN(CC1)c2c(cc(cn2)N3C(=O)C=C(OCc4ccc(cn4)Cl)C=C3)C	3868
+CN(C)C1CCN(CC1)C(c2ccc(cc2)-c3nc(C(=O)Nc4ccccc4)c(nc3)N)=O	30
+c1cc(ccc1Nc2nc3-n4c(N(C(=O)c3cn2)c5c(cccc5Cl)Cl)ncc4)C(=O)N6CCC(CC6)N(C)C	30
+CN(C)C1CCN(CC1)C(CCc2nccn2CC(OCC)=O)=O	10
+CN(C)C1CCN(C1)C(=O)Nc2nccc(Oc3cnc([N+](=O)[O-])cc3)c2	2077
+CN(C)C1CN(C(c2c([nH]c(C)c2)C=C3c4c(cccc4NC3=O)-c5cccc(Cl)c5)=O)CC1	292
+CN(C)C1CCN(c2cc(OC)c(cc2N)Nc3nc(ccn3)-c4c5n(nc4)cccc5)C1	0
+CN(C)C1CCN(c2cc(c(Nc3nccc(-c4c5ccccc5n(c4)C)n3)cc2N)OC)C1	0
+FC(F)(F)c1c(CN2CC(N(C)C)CC2)ccc(C(=O)OC)c1	131
+CN(C)C1CN(CC1)C(=O)c2c(C=O)[nH]c(C)c2	211
+CN(C)C1CN(CC1)CCc2oc3ccc(cc3c2)-c4n5c(ccn5)nc6c4CCC6	123
+CN(C)C1CN(c2c([N+](=O)[O-])cc(c(OC)c2)Nc3nccc(-c4c5ccccc5n(c4)C)n3)CC1	34
+CN(C)C1CCN(c2cccc(Br)c2)C1	560
+CN(C)C1CCN(Cc2ccc(cc2)-c3sc4c(nccc4Oc5ccc([N+]([O-])=O)cc5F)c3)C1	171
+CN(C)C1CCN(C(c2c3ncc(-c4ccc(cc4)NS(=O)(=O)c5cccc(c5Cl)Cl)c(n3nc2)N)=O)C1	2778
+c1cc(ccc1OCCCN2CCC(N(C)C)C2)-c3ccc(cc3C)C#N	53
+CN(C)C1CN(CC1)c2cc(c(Nc3nccc(-c4c5n(nc4)cccc5)n3)cc2[N+]([O-])=O)OC	34
+c1cc(ccc1CC2=C(CCC)N=C(N(C)C)N(c3ccc4OC(C)(C)Cc4c3)C2=O)-c5c(C6=NOC(=O)N6)cccc5	1671
+c1cc(ccc1Nc2nc(-c3ccccc3)c(cn2)C#N)OCCO	8495
+C1COCCN1S(=O)(=O)c2cc(ccc2C)Nc3nc(-c4c(C)nc(s4)NC)c(cn3)C#N	8496
+c1ccccc1-n2c(c(cn2)C(=O)OC)CC	8497
+c1(c(CC)nc(O)c(c1)C#N)C(=O)OCC	2908
+n1cc(cnc1)-n2c(c(cn2)C(=O)OCC)CC	8498
+c1ccccc1CNC(c2ccc(N3C(=O)C(C=N3)c4ccc(C#N)cc4OC)nc2)=O	2372
+Cc1c(cc(C#N)c(O)n1)C(=O)OCC	2908
+c1ccccc1-c2ncc(c(-c3c(Cl)cccc3)n2)C(OCC)=O	8499
+n1cc(-c2ccccc2OC)c[nH]1	8500
+c1ccccc1Nc2ncc(c(-c3c[nH]c(C(NC(c4ccccc4)CO)=O)c3)n2)COC	8501
+c1cc(ccc1-c2cc(c(O)nc2-c3ccccc3Cl)C#N)Cl	2213
+Cc1c(-c2cn3c(ncc3)cc2)cc(C#N)c(O)n1	8502
+N1(c2cc(ncn2)N3CCOCCC3)C(C(n4cc(C#N)nn4)=CN1)=O	4050
+c1c2C(CCCc2n(C)n1)=O	3481
+n1c(sc2ccccc12)N3N=C(c4cc(I)ccc4)C(=CN)C3=O	2876
+N#Cc1cc-2c(nc1O)CCc3ccccc-23	8503
+n1c(sc2ccccc12)N3N=C(c4ccc(C)c(Br)c4)C(=CN)C3=O	8504
+n1c(Nc2cccc(c2)CCO)ncc3CC(c4ccccc4-c13)c5ccccc5F	8505
+n1c-2c(CCCc3[nH]cc(C(=O)OCC)c-23)cnc1	8506
+CN(C)c1ccc(cc1[N+](=O)[O-])Nc2nccc(n2)-c3c(n(C)c(C#N)c3C)C	8507
+CC(C)n1cc(-c2nc(N)ncc2)c(I)n1	2620
+c1(-c2cc(C)ccc2)ccnn1-c3nccc(C#N)c3	2974
+c1(-c2ccnc3n2ncc3C(=O)c4sccc4)cc(ccc1)C(=O)OC	2214
+c1cc(ccc1-c2ccnc(N)n2)C(NCc3cc(ccc3)OC)=O	4523
+c1cc(ccc1C(OC)=O)-c2cc[nH]n2	927
+c1([nH]ncc1)-c2cc(ccc2)C#N	927
+c1(-c2ccnc3n2ncc3C(=O)c4sccc4)cc([N+]([O-])=O)ccc1	2214
+c1(cccc(c1)C(=O)OCC)Nc2nc(ccn2)-c3ccnc(c3)Cl	4524
+c1(c2cc(C#N)ccc2ncc1)-c3[nH]ncc3	927
+FC(F)(F)c1cccc(c1)Nc2nccc(n2)-c3ccncc3	4524
+c1cnccc1-c2cc[nH]n2	927
+c1ncncc1-c2nc(ncc2)Nc3c(C)ccc([N+](=O)[O-])c3	8508
+c1c(cc2c(c(sc2c1)-c3ccnc(n3)N)C)Br	8509
+c1(n[nH]cc1)-c2cc(Br)cs2	8510
+FC(F)Oc1c(cccc1)N2N=C(c3ccnn3-c4ccccc4)C(=O)C(OC)=C2	4525
+Clc1cc2c(c(sc2cc1)-c3ccnc(n3)N)CC	8511
+c1cc(-c2oncc2)c3c(C4=CC(NCC(=O)N4CC3)=O)c1	8512
+c1([nH]ncc1)-c2ccc(Cl)c(c2)CNC(C)=O	927
+n1ccc(-c2cnccc2)nc1Nc3cc([N+]([O-])=O)c(C)cc3	8513
+C1(c2c(NC(=O)N1)cc[nH]2)=O	8514
+O(c1c2c(cc[nH]2)c(Br)cn1)C	2215
+c1(cccc(C)c1-c2cc3c(cn2)[nH]cc3)C	2215
+c12c(cc(cc1Br)F)[nH]cc2	4526
+c12cc[nH]c1cncc2Br	2215
+c12[nH]ccc1cc(NC(=O)C)nc2	2215
+c1(-c2cc(ccc2)Br)[nH]cnn1	8515
+CN(C)C=NC1=NC(C=CN(C)C)=C([N+]([O-])=O)C(=O)N1Cc2ccccc2	3557
+CN(C)C=NS(=O)(=O)c1cc(C(=O)c2c(Cl)c(Cl)c(c(CC=C)c2)O)ccc1Cl	423
+CN(C)C=NS(=O)(=O)c1c(Cl)ccc(C(c2cc3c(OC(CO)C3)c(Cl)c2Cl)=O)c1	2730
+CN(C)C=Nc1c(c(-c2ccc(cc2)N)[nH]n1)C#N	0
+c1cc(ccc1)CNc2c3c(Nc4cccc(C)c4)[nH]nc3ncn2	8516
+c1(cc(ccc1)Nc2c3cc([N+]([O-])=O)ccc3ncn2)Br	4527
+c1ccccc1CNC(=O)c2ccc(c(c2)Nc3c4c(nc(C)cc4)ncn3)Sc5ccc(cc5)O	8517
+c1c(c(cc(OC)c1Br)Nc2ncnc3cc(c(cc23)OC)OCCOC)OC	4527
+CN(C)Cc1nc2ccc(cc2cc1)N3C(=O)c4c(cc(-c5ccc(cc5)Cl)s4)N=C3	3949
+CN(C)C=NC1=NC(C)=C([N+]([O-])=O)C(N1Cc2ccccc2)=O	8518
+c1cc(ccc1NC(=O)C)Sc2ccc(C)cc2Nc3ncnc4c3sc(n4)SC	8519
+CN(C)CC1CC1c2cc3[nH]cc(C=O)c3cc2	287
+CN(C)CCCc1c2CCCCc2[nH]c1C=O	413
+CN(C)CCN1CCc2[nH]c(c(C)c2C1=O)C=O	413
+CN(C)Cc1[nH]c2ccc(cc2c1)C=O	146
+CN(C)S(=O)(=O)n1c(C=O)nc2CCCCc12	1378
+CN(C)c1c(cccc1C)C=O	146
+Clc1ccc2c(Sc3cc(ccc3)C(=O)OC)c([nH]c2c1)C	833
+C(c1c(OC)cc(C(=O)OC)c(c1)F)CC	2975
+c1cc(ccc1)-c2oc(nc2-c3ccccc3)C=4C(Cc5cc(C(OC)=O)ccc5)CCC=4	2975
+C1CN(CCC1)CCOc2ccc(cc2)C3c4c5ccc(OC)cc5ccc4-c6ccc(C(OC)=O)cc6O3	2975
+c1ccc(cc1C(=O)OC)SCC(=O)C	833
+c1ccc2cc(sc2c1)-c3cc(C(=O)OC)cc4c[nH]nc34	833
+C(O)c1ccc(cc1C)C(=O)OC	833
+c1cc(ccc1C(OC)=O)-c2nnc(n2C)OC(C)c3nc(on3)-c4cccc(c4)Cl	8520
+c1cc(ccc1C(OC)=O)C(NC(=O)c2cc(F)cnc2Oc3ccc(cc3)F)C	833
+O=Cc1c(C)cc(OC)c(CCCC)c1C	151
+c1c(c(F)c(c(c1)C=O)Cl)OC	151
+O=Cc1c(I)cc(OC)cc1	151
+O=Cc1cc2cccc(OC)c2nc1Cl	1031
+C[Si](C)(C)c1c(cc(C=O)c(F)c1F)Br	151
+C[Si](C)(C)c1c(c(C=O)c(cc1F)Cl)F	151
+C[Si](C)(C)c1cc(ccc1)C=O	146
+CN(C)C=Cc1nc(O)ccc1C(C)=O	1693
+c1(c2c(C)ccc([N+]([O-])=O)c2[nH]c1)C=O	287
+Cc1c2cc(C=O)c(F)cc2[nH]n1	146
+Cc1c2cc(C=O)ccc2[nH]n1	146
+c1(C=O)c2c(-c3ccc(C)cc3C)ccnc2[nH]c1	8521
+Cc1nc(c2ccc(OC)cc2c1C=O)Cl	687
+Cc1nc(ccc1C=O)Cl	687
+ClC(Cl)=C1C2c3c(cccc3C1CC2)C=O	146
+c12c(C(=O)N(C1=O)c3cc4CC(=O)CCc4cc3)cccc2	8522
+c1cc(ccc1S(=O)(=O)N2CCC(Cl)=C(C2)C=O)C	2657
+Clc1c(Br)cc(C=O)s1	968
+O=Cc1c(F)c(c(Cl)cc1)C(=O)OC	151
+Clc1cc(Br)cc(Oc2c(C=O)c(F)ccc2Cl)c1	151
+O=Cc1c(c(NC(C)=O)ccc1Cl)F	151
+O=Cc1c(c(ccc1Cl)Br)F	151
+Clc1ccc2c(c1)[nH]c(c2C=O)C(=O)OCC	287
+Clc1ccc2c([nH]cc2C=O)c1	287
+Clc1cccc(c1)-c2nn3c(c2C=O)ccnc3	2216
+O=Cc1c(Br)cccc1Cl	151
+c1cccc2n(C)c(c(C)c12)C=O	4528
+FC(F)(F)C(C)(C)C(N)=O	2789
+FC(F)(F)C=1N(C(N(C(C=1)=O)c2cc3c(cc2)snc3-c4cc(C)c(OC)cc4)=O)C	8523
+FC(F)(F)c1c(C=CN(C)C)c([N+]([O-])=O)ccc1	1744
+FC(F)(F)c1c(c(C#N)ccc1)N	1572
+FC(F)(F)c1c(F)cc2n(cc(C=O)c2c1)C	287
+FC(F)(F)c1cc(ccc1C#N)N2C(N(C3(CCC3)C2=O)c4ccc(cc4)C)=S	8524
+FC(F)(F)c1c(ccc(S(=O)(=O)N(COC)c2cc(C)cnc2C=O)c1)Cl	4529
+FC(F)(F)c1c(ccc(S(=O)(=O)N(c2c(ncc(Cl)c2)C=O)COC)c1)Cl	4529
+FC(F)(F)c1cc(cc(C#N)c1)N(C)C	1572
+FC(F)(F)c1c(C=O)ccc(OCc2ccccc2)c1	146
+FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)Oc3c4n(ccc4ncn3)C)c1	8525
+FC(F)(F)c1cc(C=O)c(c(c1)Br)F	151
+FC(F)(F)c1cc(C=O)c(OCOC)cc1	151
+FC(F)(F)c1cc(OCOCC)c(cc1)C=O	151
+C[Si](C)(C)CCOCn1cc(nc1C=O)C(F)(F)F	1378
+FC(F)Oc1ncc(cc1)C=O	687
+FC(F)c1c(C=O)c(C)n(n1)C2OCCCC2	8526
+c1c(CCO)c(F)c(C=O)cc1	151
+c1c(F)c(c(cc1)F)-n2cc(C=O)c(n2)C	4530
+CN(C)C=NS(=O)(=O)c1ccc(cc1)-c2c(sc(c2C)N3CCOCC3)C(=O)N(OC)C	4531
+c1cc(ccc1S(=O)(=O)N=CN(C)C)-c2cc(-c3ccc(cc3)Cl)sc2C(=O)N(C)OC	4531
+n1c(NC(NCC)=O)cc(Br)c(c1)-c2cncc(c2)C=3OC(NN=3)=O	8527
+O=Cc1cc(Cl)c(N)cc1OC	146
+O=Cc1cnn2c1c(cc(c2)Br)OC	2216
+O1C(Oc2ccc(c(OC)c2C=O)OC)CCCC1	151
+O=Cc1cc2OCOc2c(Cl)c1	4532
+O=Cc1cc2OCOc2c(F)c1	4532
+O=S(=O)(Nc1c(F)c(c(cc1)F)C=O)CCC	151
+O=S1(=O)c2c(C(=O)c3cc(ccc13)F)ccc(C(N)=O)c2	1602
+O=Cc1ccc(c(C)c1O)O	151
+c1(cc(C#N)c(cc1)OC)C#N	8528
+O=Cc1cc(Br)cc(OCOC)c1	146
+O=Cc1cnc(c2cccc(C)c12)OC	687
+CN(C)C=Cc1cc(NC(C)=O)ncc1[N+](=O)[O-]	1744
+CN(C)C=Cc1c([N+](=O)[O-])cnc(c1)-c2c(C)cccc2C	1744
+O=Cc1c(ccc(C=2CCC(CC=2)CCC)c1F)Br	151
+Clc1ccnc(Br)c1C=O	1031
+c1c(c(C=O)c(c(F)c1)F)OC	151
+c1(cc(cc(F)c1C=O)N)F	151
+O=Cc1c(F)nc(cc1)NCc2c(Cl)cccc2	687
+C(c1c(O)c(ccc1O)C=O)CC	151
+c1(C)c(c(c(c(OC)c1C=O)C)C)OC	146
+O=Cc1[nH]cc(C)c1C	413
+O=Cc1cc2c(nccc2)cc1[N+]([O-])=O	8529
+CN(C)C=Cc1c(cncc1Br)[N+](=O)[O-]	1744
+O=Cc1cc(c(cc1C)CC)C(=O)O	1669
+CN(C)C=Cc1c(cc(F)cc1Br)[N+]([O-])=O	1744
+c1cccc(C=2C(c3c(cc(O)cc3)OC=2)=O)c1OC	8530
+c1(c2c(ccn2C)cc(C=O)c1Cl)F	146
+c1c(C=O)cc(OC)c(OC)n1	687
+c1(cc(C(CC)Nc2cc(c(C)cc2)C=O)ccc1Cl)C	146
+c1(C)cc(cc(C)c1NC(=O)OCC)C=O	146
+c1c(F)c(c(cc1C#N)F)C=O	151
+c1([N+]([O-])=O)ccc(c(F)c1)C(=O)N	1602
+COc1c(F)c(ccc1F)C(=O)N	1602
+c1(cccc(F)c1-c2nc3c([nH]cc3)cc2)F	8531
+c1(C=O)ccc(c(CC)c1)OC	151
+c1(c2c(c(c(F)cc2[nH]c1)Br)F)C=O	287
+c12c(cc(c(c1)O)C(=O)O)cc(C=O)cc2	146
+c12c(cccc1)C(=O)N(C2=O)CCSCc3oc(C=O)cc3	3421
+c1cc2c(cc1)c(c3ccccc3c2Br)C=O	146
+O=Cc1c(n(c2c1cc(nc2N3Cc4c(cccc4)CC3)C#N)CC=C)C	287
+O=Cc1c2cc(Br)c(Cl)cc2[nH]c1	287
+O=Cc1c2cc(OC)ccc2[nH]c1	287
+c12c(ccc([N+]([O-])=O)c1)n(cc2)N	8532
+c12ccc(C=O)cc1c3ccccc3n2C	146
+O=Cc1cc2c(n1C)c(C)ccc2	4528
+C1C(c2c(Cl)cccc2)C3C(C(=O)NC3=O)c4c1n(c(c4)C=O)CCCOC	413
+CCn1c2c(c(Cl)ncc2)nc1C=O	8533
+O=Cc1c(c(Br)cnc1)C	687
+O=Cc1cc(c(Br)cc1F)F	146
+O=Cc1c(F)cc(C)cc1Br	151
+O=Cc1c2N(C)C(Cc2cc(c1)Br)C	151
+O=Cc1cc(Br)cc2CCCN(CCCCC(OCC)=O)c12	151
+c1c(ccc(Cl)c1Br)C(=O)N	8534
+c1c(C)oc(c1)CNc2ccc3c(C=O)cccc3n2	3930
+c1(c(C=O)cccc1)CCCCCCCCC	146
+C(CCOCc1cc(F)c(cc1)F)CCCCC(=O)O	8535
+c1c(Cl)cc(cc1C(c2nc(OC)nc(c2CC)OC)=O)Cl	8536
+c1c(F)c(c(cc1C)F)C=O	151
+c1(F)cc(cc(F)c1C=O)Cl	151
+c1c(I)cc(c(NC2=CC(=O)N(C)C=C2C=3OC(NN=3)=O)c1)F	8537
+O(C)c1cc(OC)c(C=O)c(Br)c1	151
+c1c2OCCOc2cc(OC)c1C=O	151
+c1c(c(C=O)c(C)cc1)CCOC	146
+c12[nH]c(c(CCC(=O)O)c1CCCCC2)C=O	413
+c12[nH]c(c(CCCO)c1CCCCC2)C=O	413
+c1(C=O)cc2c(n[nH]c2cc1)CC	146
+O=Cc1cn(CC)c2cc(ccc12)C(=O)OC	287
+c1c2c(csc2ccc1)C=Cc3sc(C=O)cc3	3537
+c1cccn2c(cnc12)C=O	8538
+c12oc3c(c1ccc(c2C)C=O)cccc3	8539
+O=Cc1c(c(ccc1F)C#N)Cl	151
+c1cc(ccc1)-n2c(cc(C=O)c2C)C	287
+O=Cc1ccc(Oc2cccc(c2)F)nc1	687
+c1(C=O)ccc(c(CC)c1)Br	1669
+c1cc2c(c(c1OCCC)Cl)cc[nH]2	4533
+c1ccccc1-c2c(C=O)c3cc(Cl)cc(c3[nH]2)[N+]([O-])=O	287
+c1ccccc1-c2cccc(C=O)c2	146
+c1ccccc1C(=O)C=CN(C)C	2409
+c1cc(ccc1)C(Nc2c3ccc(cc3ccn2)C=O)=O	146
+c1ccccc1CN(Cc2ccccc2)c3c(F)c(C=O)c(F)cc3	151
+c1cc(ccc1)COc2cc(C(=O)OC)cc(n2)Cl	4534
+c1cc(ccc1)COc2c3n(c(C)c(C=O)c3cnn2)Cc4ccc(cc4)OC	8540
+c1cc(ccc1)CSc2n3ncc(C=O)c3nc(Nc4cc(Cl)ccc4)c2	2022
+c1cc(ccc1)Cc2cc3c([nH]cc3C=O)cc2	287
+c1cc(ccc1)Nc2nc(ccn2)-c3n(C(C)C)c(nc3)C=O	1378
+c1ccccc1Oc2cc3c(cc2)[nH]cc3	4533
+c1cc(ccc1)[Si](c2ccccc2)(Oc3cc(OC)c(c(c3)OC)C=O)C(C)(C)C	151
+c1cc(ccc1-c2c(n(c(c2-c3ccc(cc3)F)C(=O)OCC)C(C)C)C=O)F	413
+c1cc(ccc1-c2n(C)c3c(c2CCC(=O)O)cc(cc3)Cl)Cl	8541
+c1cc(ccc1S(=O)(=O)N2CCCC2)-c3c4cc(C=O)n(c4ncc3)S(=O)(=O)c5ccccc5	413
+c1cc(ccc1S(=O)(=O)N=CN(C)C)-c2c(ccc(-c3n(c(cc3C)C(=O)N(C)OC)C)c2)OC	8542
+c1cc(ccc1-c2ccc3[nH]cc(C=O)c3c2)Br	287
+c1cc(ccc1F)-n2nnc(C)c2C=O	8543
+c1cc(ccc1Br)-n2c(C)c(C=O)c(C)n2	4530
+c1cc(ccc1CC2OC(C)(C)OC2)C=O	146
+c1cc(ccc1CCOCOC)C=O	146
+c1cc(ccc1)C(C)N2CCOC(C2)c3ccc(cc3)C=O	146
+c1cc(ccc1CC2(CCN(CC2)C(=O)C3CN(Cc4ccccc4)c5cc(Cl)c(C=O)cc5O3)C#N)F	151
+c1cc(ccc1CNc2ccc(cn2)C=O)Cl	687
+c1cc(ccc1Cl)-c2c(c3c(cccc3)[nH]2)C=O	287
+c1ccccc1-c2c(n(c(C=O)c2-c3ccc(cc3)F)C(C)C)C(=O)OCC	413
+c1cc(ccc1-n2c(ncc2C(C)(C)c3cc(Cl)c(Cl)cc3)C=O)F	1378
+CCC(=CC)c1cc(C=O)c(F)cc1	151
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4c3cc(C=O)cc4	146
+c1cc(ccc1F)Oc2cccc(C=O)c2	146
+c1cc(ccc1C=O)N(CCCCCCOC2CCCCO2)CC	146
+c1c(C)c(c(cc1Br)C)Sc2c(c(C=CN(C)C)nc(Nc3ccc(cc3)C#N)n2)[N+](=O)[O-]	1693
+c1(C)cc(cc(C)c1Oc2c(c(nc(Nc3ccc(cc3)C#N)n2)C=CN(C)C)[N+]([O-])=O)Br	1693
+c1cc(ccc1-c2nn3c(cc(cc3)Cl)c2C=O)OC	2216
+c1cc(ccc1OC)-c2csc(C=O)c2-c3c(C)cc(cc3)C#N	968
+c1cc(ccc1C(N)=O)OCCN2CCCC2	1602
+c1cc(ccc1[N+](=O)[O-])C(=O)N(C)C	8544
+c1cc(ccc1CCC(=O)N)[N+]([O-])=O	2789
+c1(c(Br)cnc(Cl)c1)C=O	4457
+c1cc(nnc1C(=O)OC)Cl	4534
+c1c(OC)c2cccc(C)c2c(c1)C=O	151
+c1(C=O)cc2c(OCC)c(C#N)cnc2cc1	1669
+O=Cc1c2c(cccc2)[nH]c1C	287
+O=Cc1c2n(c(ccc2)Cl)nc1-c3cccc(c3)C	2216
+O=Cc1c2c(c(C)c(cc2)[N+]([O-])=O)[nH]c1	287
+c1(C=O)c2c(C(=O)OC)cccc2[nH]c1	287
+c1(c2c(cccc2[nH]c1)O)C=O	287
+CC(C)(N1C(c2c(Cl)c(ccc2C1=O)F)O)c3ccccc3	4535
+c1ccccc1C2CN(CCc3cc(C=O)sc23)C	968
+c1cc(ccc1)CCCN2C(c3c(C2=O)ccc(OC)c3)O	4535
+c1ccccc1COC(=O)c2ccc(C=O)[nH]2	413
+c1ccccc1COCCCc2ccc(cc2)C=O	146
+c1ccccc1COc2cc(cnc2Nc3scc(C)n3)C=O	687
+c1ccccc1COc2cc(C)c(cc2)C=O	151
+c1ccccc1COc2ccc(cc2)-n3c4c(c(C=O)c3C)cc(F)cc4	287
+C1CCCC1c2cc(C=O)ccc2OCc3ccccc3	146
+c1ccccc1COc2cc(C=O)cnc2	687
+c1cc(ccc1)Cn2c(-c3ccccc3)c(c4c2C(CN(C4)Cc5ccccc5)C)C=O	287
+c1cc(ccc1)Cn2c3c(c(C=O)c2C(C)C)ccc(OC)c3	287
+c1cc(ccc1)S(=O)(=O)n2c(C=O)cc3cccnc23	413
+C(c1n(-c2c(Cl)cccn2)ccc1)=O	413
+O=Cc1n(ccc1)-c2c(F)ccc([N+]([O-])=O)c2	413
+c1cnccc1-c2cc3c(nc2-c4occn4)NC(=O)N3	8545
+c1(c2n(nc1)ccc(Cl)n2)C=O	2022
+c1(c2cc(Br)ccn2cn1)C=O	8546
+n1n(C)c(CC)cc1C(=O)N(OC)C	8547
+CN(C)CC#Cc1cc(c(OC(OC)=O)cc1[N+](=O)[O-])C	197
+CN(C)CC#CC(=O)O	3914
+CN(C)CC#Cc1ccc(c(C)c1Cl)Br	121
+c1cc(ccc1NC(c2ccc(cc2)F)=O)CNc3c4cc(ccc4nc(N(C)C)n3)C#CCN(C)C	121
+c1cc(ccc1C(Nc2ccccn2)=O)-c3nc(C4N(CCC4)C(C#CCN(C)C)=O)n5ccnc(N)c35	2976
+CN(C)CC#Cc1c(cc(OC(OC)=O)c(C)c1)N	0
+CN(C)CCCc1ccc(c(c1Cl)C)Br	213
+CN(C)CC(=O)N1CCCC1COc2c3c(ncnc3Nc4ccc(c(Cl)c4)OCc5nccnc5)ccc2	8548
+CN(C)CC(N1CCc2cc(ccc12)N)=O	0
+c1cc(ccc1NC(C)CN(C)C)[N+](=O)[O-]	60
+CN(C)CC(=O)NCC1Cc2cc(C)c3c(ccc(n3)O)c2O1	9
+CN(C)CC(=O)N1CCCC1COc2c3c(ncnc3Nc4ccc(c(Cl)c4)O)ccc2	10
+CN(C)CC(=O)N1C(CC(C1)O)COc2c3c(ncnc3cc(c2)OC)Nc4cc(c(F)cc4)Cl	10
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5c(ccc(c5)NC(=O)CN(C)C)C)=O)n2	33
+c1cc(ccc1-c2oc3c(C(N)=O)cccc3n2)C4CCCN(C4)C(CN(C)C)=O	10
+CN(C)Cc1nc(-c2c3n(cn2)-c4ccc(F)cc4C(N5CCC35)=O)no1	4536
+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(c(cc34)NC(C=CCN(C)C)=O)OCC	8549
+CN(C)CC1CC1c2cc3[nH]cc(C#N)c3cc2	4537
+CN(C)CC1Cc2ccc(cc2CC1)NC(c3[nH]cc(-c4ccc(cc4)Cl)c3)=O	187
+CN(C)CC1CN(S(=O)(=O)C)c2ccccc2C1	1632
+CN(C)CC1CCCN1c2cc(N)c(N)cc2Cl	0
+CN(C)CC1N(c2c(cc([N+]([O-])=O)c(N)c2)Cl)CCC1	202
+CN(C)CC=CC(=O)N1CCc2c(sc3ncnc(Cl)c23)C1	4110
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c(cnc4cc(OCC)c(cc34)NC(C=CCN(C)C)=O)C#N	4538
+CN(C)CCC(Nc1cc(ccc1)N)=O	0
+CN(C)CCC(Nc1cccc(-c2ccnc(NCCc3cc(c(OC)cc3)OC)n2)c1)=O	33
+c1(c(c2ccccc2[nH]1)C(=O)CCn3ccnc3)C	8550
+CN(C)CCCc1c2ccccc2[nH]c1-c3c(noc3C)CC	1283
+c1cc(ccc1N(CCCl)CCCl)NC(=O)Nc2cccc(c2)NC(CCN(C)C)=O	124
+c1ccccc1-c2n(c3c(c2C(CCn4ccnc4)=O)cccc3)C	8551
+O(C)c1c(ccc(c1)C=2CCNN=2)OC	8552
+CN(C)CCC(=O)c1cc([N+](=O)[O-])c(s1)Sc2ccc(Cl)cc2Cl	4539
+CN(C)CCCC(C)=NO	350
+c1cc(ccc1ON=C(CCCN(C)C)C)[N+]([O-])=O	2890
+C1CC(=O)N(C1=O)OC(CCCOc2cc3c(C(CCCN(C)C)c4c(cccc4)CC3)cc2)=O	884
+CN(C)CCCC1c2c(CCc3ccccc13)cc(OCCCC(O)=O)cc2	3
+CN(C)CCCCNCCC#N	1287
+CN(C)CCCCNc1ccccc1S(=O)(=O)Nc2ccc3c(OCC4C3CCO4)c2C(O)=O	60
+CN(C)CCCCNc1nccc(Oc2cc(c(N)cc2)C)n1	96
+CN(C)CCCCN(C)c1ccccc1S(=O)(=O)Nc2ccc3C4C(COc3c2C(=O)O)C4	34
+CN(C)CCCCNC	695
+FC(F)(F)c1c(-c2cccc(Cl)c2)ccc(c1)NC(Nc3c(C)cc(Oc4ccnc(NCCCCN(C)C)n4)cc3)=O	1680
+CN(C)CCCOc1cc(-c2c(-c3c(C)cccc3)ccc(C(=O)OC)n2)ccc1Cl	72
+CN(C)CCCOc1ccc(cc1N)Cl	72
+FC(F)Oc1ccc2c(c1)c(nn2CCCN(C)C)I	2058
+CN(C)CCCOc1c(C=O)cc(cc1)OC	72
+CN(C)CCCOc1c(CC=C)cc(OCCCC)cc1	72
+c1cc(ccc1OCCCN(C)C)Nc2cc(Nc3cccc(c3)C)ncn2	72
+c1cc(ccc1OCCCN(C)C)C(=O)OC	72
+CN(C)CCCNC(c1n(c2ccccc2n1)CCCCCCCCCCCCCCCCCC)=O	1506
+CN(C)CCCNc1c(cc(cc1)C)[N+](=O)[O-]	205
+CN(C)CCCNc1ncc2c(ccc(Br)c2)n1	8553
+O=S(=O)(N(C)c1ccc(c2c1[nH]c(C=3SC(CN=3)CC(=O)N)c2)C)c4cccs4	8554
+O=S(=O)(N(C)c1cccc2cc(C(N)=O)[nH]c12)c3ccccc3OC	8555
+CN(C)CCCNC(=O)C=C	8556
+CN(C)CCCNc1c(N)cc(cc1)C	0
+FC(F)(F)C(C)Nc1nc(nc(Cl)c1-c2c(F)cc(cc2F)OCCCN(C)C)-c3ccccn3	57
+FC(F)(F)CNc1c(-c2c(cc(cc2F)OCCCN(C)C)F)c(Cl)nc(-n3ccnc3)n1	57
+FC(F)(F)c1cc2C=CC(=O)N(CC(=O)Nc3scc(c3-c4ncn(CCCN(C)C)n4)Cl)c2cc1	4540
+CN(C)CCCOc1cc(F)c(c(c1)F)-c2c(C)nnc(-c3c(cccc3)F)c2-c4cc(OC)cc(OC)c4	57
+c1cc(ccc1-c2ccc3c(C(Nc4ccc(cc4)Cl)CC(C)N3C(C)=O)c2)C(=O)OCCCN(C)C	1533
+CN(C)CCCOc1ncc(Br)cc1	430
+n1cc(cnc1-c2cc(ccc2)C(OC)=O)OCCCN(C)C	1897
+CN(C)CCCOc1ccc(OC)cc1C=NCCc2ccccc2	853
+CN(C)CCCOc1c(CCCO)cc(OCCCC)cc1	347
+c1ccccc1CCNCc2cc(OC)ccc2OCCCN(C)C	1172
+CN(C)CCCOc1ccc(Cl)cc1NC(Nc2ncc(C#N)nc2)=O	446
+CN(C)CCn1c2cc(Cl)ccc2c(c1)C(=O)OC	1277
+CN(C)CCOc1cc(F)c(c(F)c1)C2=C(N=C(C(=O)N2CC(C)CC)n3cccn3)Cl	72
+c1ccccc1S(=O)(=O)c2ccc3N(C(COc3c2)=O)CCN(C)C	1525
+CN(C)CCn1nc2c(cc([N+]([O-])=O)cc2)c1	8557
+CN(C)CCn1ncc2c1cc([N+]([O-])=O)cc2	2058
+c1cc(ccn1)Nc2c(OCCN(C)C)cnc(-c3nn(Cc4c(cc(cc4F)OCC)F)c5c3CCC5)n2	8558
+CN(C)CCN1c2c(CCC1=O)cc(cc2)[N+]([O-])=O	1525
+CN(C)CCOc1ccc2c(N(c3c4CCCc4nc(-c5sc(cc5)Cl)n3)CC2)c1	72
+c1cc(ccc1OCCN(C)C)-c2c(cnc(n2)N)C3=NN(C(C)C)C(=O)C=C3	72
+CN(C)CCOc1ccc(cc1)C(Cc2ccc(cc2)Cl)=O	72
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3CCCc4cc(OCCN(C)C)ccc34)C(C)C	72
+CN(C)CCOc1ccc(cc1)Cc2c(NCCCCC)nc(N)nc2C	72
+CN(C)CCOC(C(CNC(c1cccs1)=O)NC(=O)c2c(cc(cc2)C(NCc3cccc(O)c3)=O)Cl)=O	2120
+O(C)C(OC)c1c(cc2CCCNc2n1)CNCCN(C)C	249
+CN(C)CCN1C(=O)c2c(cc([N+](=O)[O-])c(N)c2C)C1=O	8559
+CN(C)CCNc1ncc2c(n1)N(OC)C(=O)C(c3c(Cl)ccc(c3)[N+]([O-])=O)=C2	435
+O=S(=O)(NCCN(C)C)c1cccc([N+](=O)[O-])c1	71
+CN(C)CCNc1c(cccc1)[N+](=O)[O-]	250
+CN(C)CCNc1nc(-c2c(C)ccc(C(=O)Nc3sccn3)c2)c4c(N(C(=O)C=C4)c5c(F)cccc5F)n1	306
+CN(C)CCNc1ccc(cn1)[N+](=O)[O-]	70
+CN(C)CCNc1c2c(ncn1)[nH]c3c2ccc(C#N)c3	974
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(nc5sc(cc45)CC)NCCN(C)C)=O	96
+CN(C)CCNC(=O)Cc1cc(sc1-c2ccc(cc2)C#N)C(=O)c3occc3	9
+c1cc(ccc1Br)NC(=O)c2ccc(c([N+](=O)[O-])c2)NCCN(C)C	60
+c1cc(ccc1Cl)-c2n(CCN(C)C)c3CCSCc3c2	4541
+c1cc(ccc1F)N2CCN(CC2)C(=O)NCCN(C)C	1132
+c1cc(ccc1CC(=O)NCCN(C)C)NC(OCc2ccccc2)=O	9
+c1cc(ccc1Oc2ccccc2)NC(Nc3cc(c(NCCN(C)C)cc3)[N+](=O)[O-])=O	60
+c1ccccc1CN2C(C3=C(CCC3)N=C2C(NCCN(C)C)CC)=O	1682
+c1ccccc1CN2C(C(CC)NCCN(C)C)=Nc3ncccc3C2=O	1682
+CN(C)CCN(C)C(c1ccc(cc1)N)=O	0
+c1cc(ccc1Br)NC(Nc2ccc(cc2)C(=O)N(CCN(C)C)C)=O	124
+CN(C)CCN(C)c1c(N)cc(Nc2ncc(c(-c3cn(c4c3cccc4)C)n2)C)c(OC)c1	0
+CN(C)CCN(C)c1c(N)cc(c(c1)OC)Nc2nc(-c3c4c([nH]c3)cccc4)ccn2	0
+CN(C)CCN(C)c1c(cc(c(c1)OC)Nc2ncc(C#N)c(-c3c4n(nc3)cccc4)n2)N	8560
+CN(C)CCN(C)c1c(cc(c(c1)OC)Nc2nc(-c3c4n(nc3)cccc4)c(cn2)Cl)N	0
+CN(C)CCNCCCCn1c2c3c(cccc3)nc(N)c2nc1CCOC	1385
+CN(C)CCN(C(OCC)=O)c1c(N)cccc1	0
+CN(C)CCN(c1sc2c(n1)ccc(N)c2)C	0
+c1cc(ccc1I)C(Nc2cc3c(nc(N(CCN(C)C)C)s3)cc2)=O	67
+CN(C)CCN1C(c2c(C)c(N)c(N)cc2C1=O)=O	0
+CN(C)CCN1C(CCn2c(c(C3CCCCC3)c4c2cc(C(=O)O)cc4)-c5ccccc5C1)=O	1
+CN(C)CCN1C(c2c(cc3c([nH]c(-c4c(Cl)ccnc4OC)n3)c2C)C1=O)=O	1637
+c1(F)c(F)c(c(c(F)c1)F)CC(C)Nc2ccnc(O)c2-c3nc4cc5c(C(=O)N(C5=O)CCN(C)C)c(C)c4[nH]3	105
+CN(C)CCN1C(=O)c2c(cc3nc([nH]c3c2C)-c4c(O)nccc4NC(Cc5c(ccc(F)c5)C)C)C1=O	8561
+CN(C)CCN1C(c2c(C1=O)cc3c(c2C)nc(-c4c(nccc4Cl)O)[nH]3)=O	104
+c1cc(ccc1C(N2CCCc3cc4c(N(CCO4)CCN(C)C)cc23)=O)-c5c(cc(N6C(=O)CCC6)cc5)C	8562
+C1CSc2cc([N+]([O-])=O)ccc2N1CCNC	2217
+CN(C)CCN1CCc2[nH]c(c(c2C1=O)C)C=C3c4c(ncnc4NC3=O)Nc5cc(c(F)cc5)Cl	2709
+c1cc(ccc1)OC(N(CCN2c3ccc([N+]([O-])=O)cc3CCC2)C)=O	1142
+CN(C)CCN1c2c(CCC1)cc([N+]([O-])=O)cc2	15
+FC(F)(F)c1csc(-c2c(-c3cnc4c(c3)C(C(C(OCC)=O)=CN4CCN(C)C)=O)cnc(c2)NC(=O)NCC)n1	1168
+CN(C)CCN(C)c1c(cc(Nc2nc(c(C)cn2)-c3cn(c4c3cccc4)C)c(OC)c1)[N+]([O-])=O	34
+CN(C)CCN(C)c1c(cc(c(c1)OC)Nc2ncc(c(-c3c4n(nc3)cccc4)n2)Cl)[N+](=O)[O-]	34
+CN(C)CCN(c1nc2ccc([N+]([O-])=O)cc2s1)C	8563
+CN(C)CCN(C)c1c(cc(Nc2nccc(n2)-c3c4c([nH]c3)cccc4)c(OC)c1)[N+]([O-])=O	34
+CN(C)CCN(C(=O)c1ccc(cc1)[N+](=O)[O-])C	30
+CN(C)CCNCCc1c(C(OCC)=O)c(C)c[nH]1	15
+c1cc(ccc1[N+]([O-])=O)CC(Nc2ccc(cc2)CC(NCCN(C)C)=O)=O	33
+CN(C)CCNC(=O)c1c2c(ccc1)nc3ccc4cc(ccc4c3n2)O	5
+CN(C)CCN1CCc2c(c(C)c[nH]2)C1=O	1858
+CN(C)CCNc1cc(N)c(cc1F)N	0
+CN(C)CCNc1c(F)cc2[nH]c(-c3nn(cc3N)C4OCCCC4)nc2c1	209
+CN(C)CCNc1cc(cc(c1)F)-c2cncc(N)c2N	0
+CN(C)CCNc1ccc(cn1)N	13
+CN(C)CCNc1ncc2C=C(C(=O)N(c2n1)OC)c3cc(NC(=O)Nc4cc(c(cc4)OC)Cl)ccc3Cl	124
+CN(C)CCNc1ncc2c(N(C(C(c3c(ccc(N)c3)Cl)=C2)=O)OC)n1	0
+CN(C)CCOCc1c(cccn1)OCCOC2CCCCO2	2404
+CN(C)CCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CCCCn2c3c(nc2CCOC)c(N)nc4ccccc34	2715
+CN(C)CCOc1ncc([N+](=O)[O-])cc1Br	91
+CN(C)CCOc1c([N+](=O)[O-])cccc1	20
+CN(C)CCOc1c2c(Nc3ccc(c(Cl)c3)OCc4nccnc4)ncnc2ccc1	1111
+c1ccccc1-c2cc(c(nc2-c3ccc(cc3)CN4CCC(CC4)N5C(=O)Nc6c5cccc6)OCCN(C)C)C#N	91
+c1cc(ccc1C)S(=O)(=O)OCCN(C)C	36
+c1cc(ccc1Cc2c(C)nc(N)nc2NCCCCC)CC(=O)OCCN(C)C	456
+CN(C)CCOc1cc(COc2ccc(cc2)C(=O)Nc3cc(ccc3C)-c4ncc[nH]4)ncc1	260
+c1cc(ccc1N2CCN(CC2)C(OCCN(C)C)=O)[N+]([O-])=O	2078
+c1ccccc1C2=CC(C(OCCN(C)C)=O)=C3N(Cc4ccccc34)C2=O	8564
+CN(C)CCOc1nc(Cl)nc(Nc2cc3cn[nH]c3cc2)c1	145
+CN(C)CCOCCCC1Oc2c(c(C)c(O)c(C)c2C)S1	241
+CN(C)CCOCc1ncccc1OCCO	168
+CN(C)CCOc1ncc(N)cc1-c2cnc(nc2)OC	8565
+CN(C)CCOc1c(C)ccc(c1)Nc2cc(nc3c2cccc3)C	179
+O=S(=O)(Nc1c(OCCN(C)C)ccc(Br)c1)C	80
+c1ccccc1C(NC(=S)Nc2ccccc2OCCN(C)C)=O	865
+CN(C)CCOc1c(N)cc(cc1)Br	0
+CN(C)CCOc1c(N)cccc1	0
+CN(C)CCOc1c(OC)ccc(NC(c2cc(C)c(-c3ccc(cc3)-c4ncccc4)cc2)=O)c1	11
+CC(C)Oc1cc(OCCN(C)C)ccc1Nc2cccc(c2C(OC)=O)C(OC)=O	1215
+CN(C)CCOc1ccc(c(N)c1)[N+]([O-])=O	3915
+CN(C)CCOc1cc2C(C(C)(C)CC(c2cc1)c3ccc(cc3)Cl)Cl	525
+c1ccccc1COc2c3c(cccn3)c4C(CCl)CN(C(=O)c5[nH]c6c(c5)cc(OCCN(C)C)cc6)c4c2	2677
+CN(C)CCOc1cc(OC(C)C)c(N)cc1	0
+CN(C)CCOc1cc(c(cc1)N)N	0
+CN(C)CCOc1cc2c(C(c3ccc(cc3)Cl)CC(C)(C)C2O)cc1	74
+c1cc(ccc1C(c2ccc(cc2)O)=C(CC)c3cccc(OCCN(C)C)c3)O	1051
+CN(C)CCOc1ccccc1Nc2nc(C3=Cc4cccc(Cl)c4OC3=O)cs2	3467
+CN(C)CCOc1nc(-c2cc(ccc2)OC)nc(c1)Nc3cc4cn[nH]c4cc3	345
+CN(C)CCOc1nc2c(cc1-c3cnc(nc3)OC)nc(N)s2	4542
+CN(C)CCOc1c(Br)cc(N)cn1	13
+O=S(=O)(c1sc2ccc(CSCCN(C)C)cc2c1)N	639
+CN(C)CCc1c(O)ccc(c1)-c2n(C)nc(C)c2C	5
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c4cccc(C(N)=O)c4)c3n2)=O)c5ccc(cc5)OC)C)ccc1	216
+CN(C)CCc1cc2occc2c(n1)Cl	8566
+O=C1c2ccccc2C(=O)N1Cc3nnc(CCN(C)C)n3-c4ccc(cc4C(c5ccccc5Cl)=O)F	4543
+CN(C)CCn1cc(c2ccc(cc12)Cl)C(O)=O	1
+c1cc(ccc1Oc2ccccc2)CC(Nc3cc4c(nn(c4)CCN(C)C)cc3)=O	33
+CN(C)CCn1cc2c(n1)ccc(N)c2	0
+CN(C)CCn1c2c(cn1)ccc(NC(=O)Cc3ccc(cc3)OCc4ccccc4)c2	33
+CN(C)CCn1ncc2c1cc(N)cc2	0
+CN(C)Cc1c[nH]c2ccc(OCCC)c(c12)Cl	8567
+CN(C)Cc1cc2c([nH]1)ncc(c2)N	13
+CN(C)Cc1[nH]c2c(cc(-c3nc(c4c(OC)cc(OC)cc4n3)O)cc2)c1	748
+CN(C)Cc1c(ccc(c1)N)F	0
+N#CCc1c2c(c(Cl)ncc2Br)[nH]c1	1432
+C(c1c[nH]c2c1cc(cc2)C(=O)OC)C#N	1432
+C(c1c[nH]c2c([N+]([O-])=O)cccc12)C#N	1432
+c1c(cc2[nH]cc(CC#N)c2c1)Br	1432
+C(c1c[nH]c2c1ccc([N+]([O-])=O)c2)C#N	1432
+c1cc2[nH]cc(CC#N)c2c(c1OCCC)Cl	1432
+CN(C)Cc1cc(-c2cc3c[nH]nc3cc2F)cnc1	804
+CN(C)Cc1cc(-c2c(cc3n[nH]c(I)c3c2)F)cnc1	538
+CN(C)Cc1cc(N)c(OCC)cc1	0
+CN(C)Cc1ccc2oc(C)c(C=3C(NC(=O)C=3c4c[nH]c5c(cccc45)C)=O)c2c1	3331
+CN(C)Cc1ccc2ccc(c(CC(N)=O)c2c1)Cl	2125
+CN(C)Cc1ncc2ccc(c(C=3C(NC(=O)C=3c4c5ccccc5n(c4)C)=O)c2c1)Cl	1492
+CN(C)Cc1cc2c(CC(=O)N)c(C)oc2cc1	728
+CN(C)Cc1ccc2c(c(CC(N)=O)co2)c1	327
+CN(C)Cc1ccc2c(c(ccc2c1)Cl)CC(N)=O	83
+CN(C)Cc1ccc2c(c(Cl)ccc2c1)C=3C(=O)NC(=O)C=3c4cn(c5ccccc45)C	1492
+CN(C)Cc1cc2ccc(c(CC(O)=O)c2cc1)Cl	3
+CN(C)Cc1nc2c(c(Cl)ccc2cc1)CC(=O)N	2125
+CN(C)Cc1cc2c(ccc(Cl)c2C=3C(=O)NC(=O)C=3c4cn(C)c5ccccc45)cc1	1492
+CN(C)Cc1cc(ccc1)-c2cc3c(Nc4ccc5c(c4C)cc[nH]5)c(C#N)cnc3s2	2844
+CN(C)Cc1cccc(c1)CCNC=2C(N(C(=CN=2)C)CC(=O)O)=O	8568
+CN(C)Cc1nc2n(c(nc(c2)Cl)Cl)c1	8569
+CN(C)Cc1cn2C(=O)NC(Cl)=Cc2n1	8570
+CN(C)Cc1cnc2ccc(c(CC(N)=O)c2c1)Cl	327
+CN(C)Cc1cccc(CSCCNC2=NS(=O)(=O)N=C2N)n1	8571
+CN(C)Cc1ccc2c(n1)c(c(cc2)Cl)C=3C(=O)NC(=O)C=3c4c[nH]c5c(cccc45)C	2218
+CN(C)Cc1ccc2cc(ccc2n1)N	0
+CN(C)Cc1cc2c(CC(N)=O)c(ccc2cn1)Cl	327
+CN(C)Cc1cc(n(n1)C)Nc2ncc(c(Nc3c(F)cccc3C(NC)=O)c2)Cl	346
+CN(C)Cc1sc(C2(CCC3(CC2)OCCO3)O)cn1	8572
+O=S(=O)(N(C)C)NC(=O)c1c(F)cc(C)c(F)c1	258
+O=S(=O)(N(C)C)c1c(ncc(c1)-c2nc3c(cc2)nccc3-c4ccncc4)N	8573
+c1cc(ccc1S(=O)(=O)N(C)C)Oc2cc(cc(C(=O)Nc3nn(C)cc3)c2)OC(C)COC	992
+CN(C)S(=O)(=O)c1cccc(N)c1O	0
+CN(C)S(=O)(=O)n1c(CN(C2CCCc3c2nccc3)CCCCN4C(=O)c5ccccc5C4=O)nc6CCCCc16	566
+CN(C)c1nc2cc([N+]([O-])=O)cc(C(Nc3cccc(Cl)c3C)=O)c2[nH]1	246
+CN(C)c1c(Br)cc(S(=O)(=O)Nc2ncc(Cl)cc2O)cn1	390
+c1cc(ccc1-c2c3ccccc3nc(c2C=CCO)N(C)C)F	2219
+CN(C)c1nc(ccc1[N+](=O)[O-])NCc2ccc(cc2)F	70
+CN(C)c1ncc(Cl)cc1-c2c3n(c(nc3cc(n2)C#N)N4CCOC5CCCC45)CC6CCC(CC6)C	8574
+CN(C)c1nc(Nc2c(C(=O)N)nnc(c2)Cl)ccc1C	314
+CN(C)c1cc([N+]([O-])=O)ccc1OCCN(CCc2ccc(OC)c(OC)c2)C	72
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)S(=O)(=O)c3c4cccc(N(C)C)c4ccc3)=O	92
+CN(C)c1n(Cc2ccccc2F)nc(c1)C#N	331
+c1ccccc1NCc2ccc(c(N(C)C)c2)OCOC	208
+CN(C)c1cc2C(=O)OC(=O)Nc2cc1	2081
+CN(C)c1ncc(N)c(C)c1	13
+CN(C)c1cc(COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4)ccc1	967
+C1CC(CCC1N(C)Cc2ccccc2)(O)c3cc(ncc3)N(C)C	8575
+CN(C)c1nccc(c1)C(=O)N2CCCC(C2)c3ccccc3OC	30
+CN(C)c1ccnc(c1)CNC	1279
+CN(C)c1cc2c(c(C#N)c(N)nc2cc1)NCc3sccc3	105
+CN(C)c1cc2c(cc1)C(=C3c4cc(Cl)ccc4NC3=O)OC2	3585
+CN(C)c1cc(c(N)cc1)C(O)=O	0
+CN(C)c1ccc(cc1)-c2nc(-n3nc(c(C(O)=O)c3)N)ncc2	6
+CN(C)c1ccc(cc1)-c2oc3c(C(O)=O)cccc3c2	1
+CN(C)c1ccc(cc1)C(O)C#Cc2ccncc2	8576
+c1cnccc1C#CC(c2ccc(cc2)N(C)C)=O	8577
+CN(C)c1ccc(cc1)C=2Oc3c(cc(cc3)O)C(C=2)=O	5
+CN(C)c1ccc(cc1)C=Cc2ccc(cc2)C=O	722
+c1cc(ccc1C=C)C=Cc2ccc(cc2)N(C)C	443
+C[Si](C)(C)C#CC(O)c1ccc(cc1)N(C)C	8578
+CN(C)c1ccc(cc1)C=CC(=O)c2cc([N+]([O-])=O)c(c(c2)O)O	307
+c1cc(ccc1CNc2ccc(cc2)C(C)C)N(C)C	208
+CN(C)c1ccc(cc1)C=C	443
+c1cc(ccc1N(C)C)CNC(c2n(c3cccc(O)c3c2)C)=O	81
+c1cc(ccc1CN2C(=O)C(=C(c3ccccc3)C2=O)Cl)N(C)C	8579
+CN(C)c1ccc(cc1)CN(C(CN(c2ccccc2OC)S(=O)(=O)c3ccccc3C)=O)CC	10
+CN(C)c1ncc(cc1)-c2ccc(nc2)C(=O)NCc3cnc(cc3)-c4cc(ncc4)F	1168
+c1ccccc1-n2c(c(C=Cc3nc4c(cc3)cc(N(C)C)cc4)cc2C)C	8580
+CN(C)c1cc2c(Cl)c(c(N)nc2cc1)C#N	120
+CN(C)c1cc(N(C)C)ccc1C2(c3c(n(CC)c4c3cccc4)C)c5ccccc5C(=O)O2	8581
+CN(C)c1cccc(Nc2nc(ccn2)N(C)c3cc4oc(C)c(C(NC)=O)c4cc3)c1	55
+CN(C)c1nc(ccc1)-c2cc(c(Cl)cc2)C(OC)=O	119
+CN(C)c1ccccc1CN2CC(CC2)Nc3ncc(C=CC(OC)=O)nc3	48
+CN(C)c1ccccc1CN2CC(CC2)Nc3cnc(C=CC(=O)O)cn3	127
+CN(C)c1cc(ncc1)CCl	515
+CN(C)c1ccnc(c1)CN(C)Cc2nc(cc(c2)O)-c3nccc(Cl)c3	1309
+c1cc(ccn1)-c2cncc(N(C)C)n2	1940
+CN(C)c1cc(C(N)=O)nn1Cc2c(cccc2)F	314
+C1CC(CCC1CN)Nc2nc(nc(N(C)C)c2)C	102
+CN(C)c1c(ccc(Nc2cc(NCCN)nnc2C(=O)N)n1)C	232
+CN(C)c1cccc(-c2ccc(Cl)c(C(=O)N)c2)n1	666
+CN(C)c1nc(nc(N(C)C)c1CC(OC)=O)Cc2ccc(cc2)[N+]([O-])=O	54
+CN(C)c1nc(nc(N(C)C)c1CC(OC)=O)Cc2ccc(cc2)NC(c3ccc(cc3)C(F)(F)F)=O	50
+CN(C)c1nc(nc(N(C)C)c1CC(OC)=O)Cc2ccc(cc2)N	0
+C1COCCN1c2nc(nc(N(C)C)n2)-n3cncc3	3970
+c1cc(ccc1Nc2nc(nc(N(C)C)c2)NC(=O)Cc3ccccc3)C	784
+FC(F)(F)Oc1ccc(cc1)CC(=O)N2CCC(Nc3nc4c(sc5ccccc45)c(N(C)C)n3)C2	10
+CN(C)c1[nH]c2cc([N+]([O-])=O)cc(C(O)=O)c2n1	1
+CN(C)c1[nH]c2c(c(C(Nc3c(C)c(ccc3)Cl)=O)cc(NC(c4c(Cl)cccc4F)=O)c2)n1	50
+CN(C)c1nc2c(cc(N)cc2[nH]1)C(Nc3c(C)c(Cl)ccc3)=O	0
+CN(C)c1ncc(cc1)CO	295
+CN(C)c1c(cc(cn1)Cl)-c2nc(C(=N)NO)cc3nc(n(CC4CCC(CC4)C)c23)N5CCOC6CCCC56	958
+C(C)C(CC)c1c2n3CCCCN(c3nc2c(Cl)cc1)c4c(cc(nc4)N(C)C)C	2394
+CN(C)c1ncc(Nc2n(c3c(C(CC)CC)ccc(Cl)c3n2)CCCCO)c(C)c1	44
+CN(C)c1nccc(-c2c(nc3n2cccc3)CO)c1	874
+CN(C)c1nccc(-c2n3ccccc3nc2C=O)c1	614
+CN(C)c1nccc(n1)Oc2cc(C)c3C(CC(O)=O)OB(c3c2)O	3
+CN(C)c1nn2c(n1)cc(cc2)NC(=O)c3c(cnn3C)C(=O)O	6
+CN(C)c1oc2c(cc(Oc3ccc4c(c(C(NCC(O)=O)=O)nc(c4c3)C#N)O)cc2)n1	2977
+CN(C)c1oc2c(cc(Oc3cc4c(c(O)c(C(=O)OCCCC)nc4C#N)cc3)cc2)n1	577
+CN(C)c1oc2c(cc(cc2)Oc3cc4c(nc(C(OCCCC)=O)c(c4cc3)O)Cl)n1	137
+C(N(C)c1n[nH]c2ccc([N+]([O-])=O)cc12)C(NC)=O	9
+c1nc2ccc(C=O)cc2nc1	760
+CN(c1c2c([nH]cc2)ncc1)c3ccc(N)cc3F	0
+c1cc(ccc1[N+]([O-])=O)N=Nc2ccc(N(CC=C)C)cc2O	725
+[N-]=[N+]=NCCCN(C)c1cc(ccc1)OC	310
+C(N1CC=C(CC1)c2ccc(c(CC)c2)N(C)c3ncc4c(c3)n(cn4)C)(CC#N)=O	2699
+c1cnccc1CNc2nc(Cl)cc3c2C(N(C)C=N3)=O	70
+c1cc(ccc1N=C2NC(Br)=CN(C)C2=O)CCO	8582
+c1cc(ccc1C(Nc2ccccc2CCC3N(C)CCCC3)=O)[N+](=O)[O-]	50
+O=S(=O)(C)Nc1cc(c(cc1)F)C2=CN(C)C(c3ccc(cc23)-c4cnn(c4)C)=O	80
+N1(C(=O)C)Cc2cc(NC3=CC(=CN(C)C3=O)Br)nn2CC1	523
+CN1C=C(C=C(C1=O)Nc2cc3CN(CCOC)CCn3n2)Br	523
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3C)Br	523
+CN1C=C(C=C(C1=O)Nc2nc(ccc2)N)Br	523
+CN1C=C(C=C(C1=O)Nc2cc(COC)n(C)n2)Br	523
+n1n2CCOCc2cc1NC=3C(N(C=C(Br)C=3)C)=O	523
+CC1(C)Cc2c(n3c(c2)C(N(CC3)c4nccc(C5=CN(C)C(=O)C(Nc6cccc(n6)N)=C5)c4COC(C)=O)=O)C1	8583
+O=S(=O)(Nc1cccc(c1)C2=CN(C)C(c3ccc(cc23)-c4ccccn4)=O)CC	2220
+c1c(F)c(N2C(CN(C)C(C2)C)C)ccc1N	0
+CC1=C(C(N(N1C)C)=O)C#N	8584
+c12n(-c3c(Cl)cccc3)cnc1N(C(=O)N(C)C2=O)C	3775
+c1ccccc1COC(=O)NC2CC(C(=O)NC3=C(c4ccccc4N(C3=O)C)N)CCC2	8585
+N1CCN(c2c(cc3c(nc4c(c3)C(C(C(=O)O)=CN4C)=O)c2)F)CC1C	1998
+Clc1cccc(c1)-c2onc(C3CCCCN3C(=S)NC)c2	1383
+C1(c2noc(-c3cc(Cl)ccc3)c2)COCCN1C(=S)NC	1383
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2cc3c(C(CC3)NC(NC)=S)cc2	1832
+O(C)c1nccc(c1)C=2N(C)C(=S)NN=2	8586
+N(c1cc(cc(C(=O)O)c1)O)C(NC)=S	2898
+c1([N+]([O-])=O)ccc2c(C(=C(O)C(C)(O2)COC)C(=S)NC)c1	8587
+c1(cccc(C#N)c1)-n2nc(nn2)C3CCCN3C(=S)NC	1383
+c1cc2c(C(N(C(=S)N2)C)=O)cc1Br	8588
+c1ccccc1COCCN2C(=O)N(C(=O)c3c2n[nH]c3NC)CCCC	8589
+o1c(-c2cc(ccc2)C#N)cc(C3CCCCN3C(=S)NC)n1	1383
+o1c(-c2csc(c2)Cl)cc(C3CC4CC4N3C(=S)NC)n1	1383
+CN(C)C(=O)c1cc(ccn1)-c2c(c(cc(C(C)n3c4ncnc(N)c4c(C)n3)c2OC)Cl)C	147
+FC(F)(F)c1c2c(c(c(cc2)OCCCN(C(N(C)C)=O)C)CCC)on1	2399
+CN(C)c1ccc(c(c1)C(=O)O)[N+](=O)[O-]	202
+CN(C)Cc1ncc2ccc(Cl)c(CC(OC)=O)c2c1	596
+CN(C)c1cncc(-n2cc(nc2C)C#Cc3cc(Cl)ccc3)c1	2688
+n1c(Cl)nc(nc1N(C)C)Cl	436
+CN(C)c1nc(Cl)ncc1C	54
+FC(F)(F)C(c1cn(c(c1)C(N(C)C)=O)CC=C)(O)c2ccc3c(c2)cnn3-c4ccc(cc4)F	147
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(C2=O)Cc3nc(NC(=O)N(C)C)ncc3	437
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(c1)[N+]([O-])=O)N(C)C	34
+FC(F)(F)c1cc(cc(c1)[N+]([O-])=O)C(N(C)C)=O	30
+FC(F)(F)c1cc2nc(C)n(c2c([N+]([O-])=O)c1N(C)C)CC	1998
+FC(F)(F)c1ccc2c(nc(SCC)c(c2N(C)C)C(NCc3cc(ccc3)F)=O)c1	264
+FC(F)(F)c1ccc(cc1)-c2c(C(OC)=O)ccc(CN(C)C)c2	131
+FC(F)(F)c1ccc(cc1)-c2sc(CNc3ccc(cc3)C4CC4C(N(C)C)=O)c(C)n2	10
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(C2CCC(CC2)OCCCC(C)N(C)C)C	85
+FC(F)(F)c1c(cn(n1)CC(Nc2sc3CCCCc3c2C(NCCO)=O)=O)CN(C)C	678
+FC(F)c1n(C(C(=O)N(C)C)C)c2c(c(c(C#N)cc2)Cl)c1	10
+CN(C)Cc1cc(C#Cc2cc(cnc2)C#N)ccc1F	171
+c1cc(ccc1-c2cn3c(C(N(c4c(F)c(ccc4)OC)C(N3Cc5c(F)cccc5F)=O)=O)c2CN(C)C)[N+](=O)[O-]	619
+CN(C)C(=O)c1ccc(c(F)c1)N	30
+CN(C)C(=O)c1cc(ccc1Br)N	30
+CN(C)CCOc1cc([N+](=O)[O-])c(cc1)N	28
+CN(C)Cc1cc2c(CC(=O)OCC)c(ccc2cc1)Cl	48
+CN(C)Cc1ccc2c(n1)c(c(Cl)cc2)CC(OCC)=O	315
+CN(C)Cc1nc(sc1)-c2ccc(cc2[N+]([O-])=O)C	3708
+CN(C)Cc1nc2ccc([N+](=O)[O-])cc2cc1	315
+CN(C)Cc1sccn1	3965
+CN(C)CCCn1c2c(ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)c2)nc1	123
+CN(C)CCOc1ccc2n(cc(CC(N3C4CC4CC3C(=O)NCc5c(F)c(ccc5)Cl)=O)c2c1)C(=O)N	123
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1	123
+O=S(=O)(N(C)C)c1c(OC)cccc1	92
+CN(C)S(=O)(=O)c1ccc(F)c(Cl)c1	92
+O=S(=O)(c1ccc2NC(Cc2c1)=O)N(C)C	92
+c1cc(ccc1F)-n2c3C=C4C(C(=O)c5ccccn5)(CN(S(=O)(=O)c6cnc(N(C)C)cc6)CC4)Cc3cn2	43
+CN(C)C(=O)c1cc(NS(=O)(=O)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3)ccc1	115
+CN(C)CCCOc1cc(Nc2cc(-c3c(-c4cnccc4)c(C#N)c(SC)s3)c(cc2)C)ccc1	123
+CN(C)S(=O)(=O)c1c(N)ncc(c1)Br	1027
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(F)ccc23)S(=O)(=O)N(C)C)C	1027
+c1ccccc1OCCC(N(C)C)C	2687
+CN(C)CCn1cc(I)cn1	236
+O=S(=O)(c1ccc(cc1)Cc2ccc(cc2)[N+]([O-])=O)N(C)C	92
+CN(C)c1c(Br)cc(S(=O)(=O)Nc2ncc(Cl)cc2OC)cn1	43
+CN(C)c1cc(c([N+](=O)[O-])cn1)C	43
+CN(C)c1c(C)ccc(n1)N	43
+CN(C)Cc1cc2c(cc1)oc(C)c2CC(=O)OCC	48
+CN(C)Cc1ccc2c(ccc(Cl)c2CC(OCC)=O)c1	48
+CN(C)C(=O)CCc1cc(c[nH]1)CCCC	1857
+CN(C)c1ncc([N+]([O-])=O)cc1C(O)=O	43
+CN(C)c1ccnc(CO)c1	264
+CN(C)c1c(cnn1C)[N+](=O)[O-]	959
+CN(C)c1nc(nc(Cl)c1)Nc2ccccc2	54
+CN(C)C(c1cccc(c1)Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)=O	115
+CN(C)CCC(=O)c1c([nH]c2ccccc12)C	1644
+CN(C)Cc1cccc(-c2sc3ncc(C#N)c(c3c2)Cl)c1	48
+CN(C)Cc1cnc2ccc(c(c2c1)CC(=O)OC)Cl	619
+CN(C)C(c1ccc([N+](=O)[O-])cc1F)=O	30
+CN(C)Cc1c(C(NCc2cc(F)c(cc2)F)=O)c3ccc(OC)cc3n1Cc4ccccn4	315
+CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O	224
+CN(C)c1nc2ccccc2n3c1nnc3CC	8590
+CN(C)c1cc2c(c(O)ncc2)cc1	34
+CN(C)C(C1C(=O)Nc2ccccc2C1)=O	2561
+CN(C)CCOc1c2c(ncnc2Nc3cc(c(OCc4cc(F)ccc4)cc3)Cl)ccc1	53
+CN(C)c1cncc(n1)Cl	317
+CN(C)C(c1cc(cc(I)c1)Br)=O	30
+CN(C)Cc1cc2c(occ2CC(OC)=O)cc1	131
+CN(C)C(=O)c1n[nH]c2cc(Br)ccc12	147
+CN(C)C(=O)c1[nH]c2c(c1)cc(cc2)Br	147
+CN(C)CCN1C(N2C(C)(C1=O)Cc3c([nH]c4ccc(cc34)OCC)C2c5cc(ccc5)O)=O	28
+CN(C)C(c1ccc2c(oc(CCCCN)c2)c1)=O	3479
+CN(C)C(=O)c1ccc2NC(=S)Oc2c1	30
+CN(C)C(COc1ccc2CCN(c3nc(nc4CS(Cc34)=O)Cl)c2c1)=O	731
+CN(C)c1c([N+](=O)[O-])ccc(n1)Cl	43
+CN(C)Cc1cc(c(OCC)cc1)[N+](=O)[O-]	171
+CN(C)C1=C(C(C1=O)=O)Nc2ccc3c(c2)c(Nc4cc(ccc4)Br)ncn3	8591
+c1cc(ccc1)-n2nc(C(OC)=O)c(C(=O)N(C)C)n2	777
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCC(CC4)C(N(C)C)=O	10
+c1ccccc1CCCCN(C)C	28
+c1cc(ccc1)CN2CCN(CC2)c3nccc4ccc(N(C)C)cc34	202
+c1cc(ccc1)CNC2CCC(CC2)CNc3cc(N(C)C)c(C)c[n+]3[O-]	3689
+c1cc(ccc1)COC(=O)CCCCN(C)C	8592
+c1ccccc1S(=O)(=O)n2c(cc3cc(cnc23)[N+]([O-])=O)CN(C)C	315
+c1cc(ccc1-c2c(C=O)c(nc3ccccc23)N(C)C)F	286
+c1cc(ccc1OCC(O)CN(C)C)Br	170
+c1cc(ccc1C(Nc2ccc(cc2)CNc3nc(N(C)C)nc4ccc(cc34)I)=O)F	549
+c1cc(ccc1C(N(C)C)=O)CNC(N2C(C)CN(c3ccc(c(Cl)c3)C#N)C(C)C2)=O	30
+c1cc(ccc1C(c2ccccc2)=O)OCCCCCN(C)C	28
+c1cc(ccc1C)NC(CC2(NC(Nc3cccc(c3)OC)=O)C(N(c4ccccc24)CCN(C)C)=O)=O	61
+CN(C)c1ccc(cc1[N+](=O)[O-])C(N2CCC(CC2)c3ccc(cc3)-c4cnn(c4)C)=O	34
+c1cc(ccc1CN(C)C)I	131
+c1cc(ccc1CCNc2c3c(ncn2)cc(cc3)OCCCN(C)C)NC(Nc4ccccc4)=O	53
+c1cc(ccc1CN(C)C)[N+]([O-])=O	171
+CN(C)C(CON(C(=O)C=C1C(OC(C)(C)O1)=O)Cc2ccc(cc2)F)=O	10
+c1cc(ccc1CN2C(c3c(cnc(C(=O)N(C)C)c3CC2)OC)=O)OC	147
+c1cc(ccc1CN(C)C)CNC(=O)C	171
+CN(C)c1nc(nc(Cl)c1CC(=O)OC)Cc2ccc(cc2)[N+]([O-])=O	54
+c1cc(ccc1Cl)C2c3nc(nc(N(C)C)c3CC2)Cl	54
+CN(C)c1ncnc2c1cc(-c3ccc(cc3)F)cc2	54
+CN(C)C(C(NC(C)(C)C=1N(C)C(C(=C(C(NCc2ccc(cc2)F)=O)N=1)O)=O)=O)=O	8593
+CN(C)CCC(N1CC(COc2nc(-c3ccc(cc3)N4CCOCC4)cc5nccnc25)OCC1)=O	2454
+CN(C)C(C(c1ccc(cc1)NC(=O)C)=O)CC	8594
+CN(C)CCC(Nc1ccc(cc1)Nc2nc(c(cn2)Br)Nc3ccccc3)=O	2454
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3CCCC(c4ccccc34)NC(CN(C)C)=O	224
+CN(C)c1nc(nc(Nc2ccc(cc2)C)c1)N	54
+c1cc(ccc1Nc2ncnc(N(C)C)c2)C(O)=O	54
+c1cc(ccc1OCCN(C)C)C(=C(c2ccc3c(cc(Cl)o3)c2)CC)c4ccc(cc4)O	53
+c1cc(ccc1OC)S(=O)(=O)N(C)C	92
+c1cc(ccc1OCC(CN(C)C)O)Nc2ncnc(Nc3cccc(c3)C)c2	170
+CN(C)C(C(C)CCn1c(COc2ccc(cc2)Cl)nc3c(C)cccc13)=O	58
+c1cc(ccc1S(=O)(=O)N(C)C)F	92
+CN(C)CC(O)c1cc(ccc1)NS(=O)(=O)c2ccc(cc2)-c3ccc(F)cc3F	170
+c1cc(ccc1-n2nc3c(c2CN(C)C)C(=O)N(C(N3Cc4c(F)cccc4F)=O)c5cccc(c5F)OC)[N+](=O)[O-]	596
+c1cc(ccc1[N+]([O-])=O)CCS(=O)(=O)N(C)C	8595
+CN(C)c1ncc(C(OC)=O)cc1	43
+CN(C)C(c1ccc(Cl)nc1)=O	1558
+CN(C)c1ccc(cn1)Br	361
+CN(C)CC1CC1c2ccc3c([nH]cc3)c2	61
+CN(C)C(COc1cc(ccc1)I)=O	10
+c1cc(ccc1)C(=O)N2CCN(CC2)c3c(nnc(N(C)C)c3)-c4ccccc4	212
+CN(C)CCOc1cc(-c2ccccc2)on1	28
+c1ccccc1C=2c3c4c(c(OCC)cc3CC(CNC(=O)CN(C)C)(C)N=2)OC(C)(C)C4	224
+c1ccccc1CCNc2c3c(ncn2)sc(C(N(C)C)=O)c3	867
+CN(C)C(=O)C(NC(=O)OCc1ccccc1)CO	10
+CN(C)C(=O)C1Cc2ccc(cc2NC1=O)NC(=O)OCc3ccccc3	2561
+C1C(CC1C(=O)N(C)C)n2cc(c3c(N)ncnc23)-c4cccc(c4)OCc5ccccc5	10
+c1ccccc1COc2c3n(CCOC)c(C)nc3cc(C(=O)N(C)C)c2	30
+CN(C)C(=O)c1cc(C=C)ccc1OCc2ccccc2	30
+c1ccccc1Cn2c3nc(N(C)C)nc(N)c3nc2	117
+c1ccccc1N2C(C(CC2=O)CN(C)C)c3cccc(OC)c3	236
+c1ccccc1Oc2cccc(Oc3ccccc3)c2C(=O)N(C)C	115
+CN(C)c1nccc(-c2c(nc3ccccn23)C(=O)OCC)c1	361
+CN(C)c1nc2n(ccc(Br)c2)n1	3858
+CN(C)Cc1onc(n1)-c2c3n(cn2)-c4c(c(ccc4)Cl)C(N(C)C3)=O	960
+CN(C)C(Cc1c(Cl)cc(OCCC2C(C3CCN(CC3)c4ncc(cn4)COC)C2)cc1)=O	10
+CN(C)C(=O)c1cn2c(nnc2c(NCc3c(cccc3CC)C)c1)C	211
+CN(C)c1cc(ncn1)Cl	54
+CN(C)c1c2c(c3ccccc3s2)nc(Cl)n1	2094
+CN(C)c1ccc(cn1)-c2nc3ccc(OC)cn3c2	361
+c1(c(c(Cl)ccc1CNC(c2c(Cl)c(C(=O)NC)c[nH]2)=O)Oc3cc(Cl)cc(C#N)c3)F	658
+CNC(C(=NO)c1c(cccc1)C)=O	8596
+O=S(=O)(N(C)CCC#Cc1cccc(CF)n1)c2c(cccc2)Cl	92
+N1C(NC2C(CCCCC(=O)N(C)CCCCCC(OC)=O)SCC12)=O	10
+C1CCCC1c2noc3c(O)nc(nc23)-c4c(ccc(c4)S(=O)(=O)N(CCc5cc(OC)c(cc5)OC)C)OCC	92
+S(=O)(C)COc1cccc(CNC)c1	2978
+c1cc(Br)c(Cl)cc1CN(C(C)=O)C	10
+O=S(=O)(N(Cc1cc(Cl)c(cc1)Br)C)C	112
+Clc1cc(ncc1)-c2cc(cc(n2)CN(Cc3ccccn3)C)O	1309
+Clc1ccc2cnc(cc2c1CC(OC)=O)C	8597
+n1c(OC)c(nc2cc(cc(C)c12)F)OC	8598
+c1(nc(OC)c(c(n1)Cl)SC)OC	2901
+c1ccccc1C=Cc2cc(OC)nc(OC)n2	2901
+O(C)c1nc(ncc1OC)Cl	145
+c1(C(=O)OC)cccc(Br)c1OC	47
+COc1cc(C(=O)OC)c(cc1Br)Cl	128
+O(C)c1cc(CCNC(C)=O)c2c(ccc(OC)c2)n1	1155
+c1cc(cc2nc(c(nc12)Cl)OC)OC	1534
+COc1cccc(c1)C2(CC)C(=O)N(CCCC2)CCO	1745
+C[Si](C)(C)OC(c1csc(C)n1)C(=O)OC	8599
+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC)(c2ccc(Cl)c(Cc3ccc(cc3)OC(F)(F)F)c2)OC1CO[Si](C)(C)C	2979
+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC)(OC1CO[Si](C)(C)C)c2ccc(Cl)c(Cc3ccc(cc3)OCC(F)F)c2	2979
+C[Si](C)(C)OCC1OC(c2cc(c(cc2CCCOCC#CC)Cl)Cc3ccc(cc3)OCC)(C(C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)OC	8600
+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(C(OC)(OC1CO[Si](C)(C)C)c2cc(c(Cl)cc2)Cc3ccc(cc3)COC4CC4)O[Si](C)(C)C	2979
+C[Si](C)(C)c1c(cc(c(F)c1F)C(=O)OC)Br	128
+C[Si](C)(C)c1ccc(c(F)c1)Nc2c(ncc(Cl)n2)C(OC)=O	128
+Cc1c2n(NC(=NC2=O)c3cnc(OC)cc3)c(C)n1	91
+C(c1ccc(c(c1)F)Cc2c(NCCCCC)nc(nc2C)N)C(=O)O	479
+Cc1nc(nc(c1CC(OC)=O)O)S	27
+Cc1ncc(C(=O)OC)c(OC)c1Cl	260
+N#Cc1[nH]cc(c1)C(=O)OC	4467
+Ic1cc([nH]c1)C(=O)OC	4544
+c1cc(ccc1-c2c(-c3ccccc3)c4CCCn4c2C(OC)=O)Cl	8601
+c1(ccc(cn1)C(=O)OC)COC	2702
+c1cc(ccc1Cl)-n2c(c(nc2CC(OC)=O)Br)-c3c(cccc3F)F	8602
+Clc1c(cc(F)c(C)c1[N+](=O)[O-])C(=O)OC	47
+Clc1c(C(OC)=O)cc(c(Cl)n1)F	342
+C(=O)(c1cc(Cl)c([N+]([O-])=O)cc1C)OC	47
+Clc1c(C#N)c(COC)nc(c1)Cl	1896
+Clc1cc(C(=O)OC)c(c(c1)O)C	47
+C(=O)(c1cc(I)c(C)cc1Cl)OC	47
+O(c1cc(C)nc(NC)c1[N+](=O)[O-])C	260
+COc1c2C(CCCc2nc(Cl)c1)=O	260
+Clc1cc(c(C(=O)OC)cc1)O	47
+Clc1cc(c(C(=O)OC)cc1)S	47
+S(C)c1cc(c(cc1[N+]([O-])=O)Cl)OC	556
+C(=O)(c1cc([N+]([O-])=O)c(cc1Cl)O)OC	128
+Clc1cc(C(=O)OC)c2c(NCCO2)c1	47
+Clc1cc(C(=O)O)cc(OC)c1	556
+C1CC1c2c(cc(cc2Cl)NC(=NC#N)SC)Cl	2980
+c1(C(=O)O)cc(OC)nc(Cl)c1	91
+Clc1cc(Br)cc(OC)c1	57
+c1(nc(N)cc(OC)c1)C	260
+Clc1ccc(C(c2oc3cc(ccc3c2COC)Br)=O)c(Cl)c1	8603
+Clc1ccc(c(-c2oncc2CCC(OC)=O)c1)Cl	27
+Clc1ccc(c(I)c1)CC(OC)=O	27
+Clc1ccc2c([nH]cc2C(=O)OC)c1	342
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=C)=O	167
+Clc1cccc(c1)C(=O)c2c(C(=O)OC)cccn2	128
+Clc1cccc(C(O)C(OC)=O)c1	27
+Clc1cnc(Cl)c(C(=O)OC)c1	128
+O(c1ncc(Cl)cc1[N+](=O)[O-])C	91
+FC(F)(F)OCCn1cc(c2c(cccc12)Br)C(=O)O	2981
+c1(c2c(C)ccc(F)c2n(CCOC)c1)C(=O)O	2981
+c1c(Br)c2c(c(c[nH]2)C(=O)O)c(F)c1	2981
+FC(F)(F)C1(CCC(CC1)(C(OC)=O)N)OC	27
+FC(F)(F)C=1N(C(=O)N(C(C=1)=O)c2cc3c(cc2)snc3-c4c(COC)ccs4)C	8604
+FC(F)(F)CN=C(N)Nc1nn(CCCCC(=N)OC)cn1	1664
+FC(F)(F)COc1cc(ccc1[N+]([O-])=O)CC(OC)=O	1643
+Cc1cc(cc(C)c1Cc2ccc(c(c2)C(C)C)OCOC)C(OC)=O	2982
+C1CC(CCN1CCC)c2cccc(C(OC)=O)c2	2982
+C1CC(CCN1Cc2ccccc2)(c3cc(OC)ccc3)c4ccc(cc4)C(OC)=O	2982
+FC(F)(F)c1c(-c2cc(on2)CC(=O)OC)ccc(C3CC3)c1	167
+FC(F)(F)c1c(C=O)ccc(c1)N	1179
+FC(F)(F)c1c(C(C(OCC)C(OC)=O)O)ccc(OCc2ccccc2)c1	4545
+FC(F)(F)c1c(F)cc(cc1)CC(OC)=O	27
+FC(F)(F)c1c(OC)cc(cc1)C(=O)O	57
+FC(F)(F)c1c(OC)nc(c(c1)-n2c(ccc2C)C)C(=O)OC	226
+FC(F)(F)c1n(nc(-c2cc(c(cc2F)[N+]([O-])=O)OC)c1Cl)C	57
+FC(F)(F)c1c(c(C=O)cc(-n2c(nc(c2)C)C)c1)N	1179
+FC(F)(F)c1cc(ccc1C)C(OC)=O	47
+FC(F)(F)c1c(ccc(NC(Nc2c(cc(cc2)Oc3ccnc(C(=O)OC)c3)F)=O)c1)Cl	226
+FC(F)(F)c1cc(ccc1CC(OC)=O)Cl	27
+FC(F)(F)c1cc(Nc2nc(cc(COC)c2)Br)ncc1	149
+FC(F)(F)c1cc(Oc2cc(C(OC)=O)ccc2)ccc1	47
+FC(F)(F)c1cc(c(c(-n2c(Br)nc(c2)C)c1)[N+]([O-])=O)OC	57
+FC(F)(F)c1cc(C(=O)OC)cc(c1)[N+](=O)[O-]	47
+FC(F)(F)c1ccc(C=O)c(c1)OC	57
+FC(F)(F)c1ccc(N)c(c1)C(=O)OC	47
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(cc2)CC(=O)OC	27
+FC(F)(F)c1ccc(cc1)-c2ccc(c(COC)n2)C(OC)=O	1896
+FC(F)(F)c1ccc2c(c1)cc(C(=O)OC)[nH]2	226
+FC(F)(F)c1cccc(-c2nc3c(cc(cc3)Br)c(C(=O)OC)c2C)c1	128
+FC(F)(F)c1c(c(C(OC)=O)ccc1)C	47
+FC(F)(F)c1c(c(Cl)ccc1)C(OC)=O	128
+FC(F)(F)c1cccc(c1)Oc2cc(Cl)ccc2C(OC)=O	47
+FC(F)(F)c1ccccc1CNC(=O)C2CCN(CC2)c3nc(nc(N4CCN(CC4)C)n3)OC	2221
+FC(F)(F)c1n(nc(-c2c(cc(c(c2)[N+](=O)[O-])OC)F)c1Cl)C	57
+FC(F)(F)c1cc(C(OC)=O)n(n1)-c2ccccc2	128
+FC(F)(F)c1nn2c(c(ccc2OC)C=O)c1	8605
+FC(F)Oc1cccnc1OC	91
+FC(F)Oc1c(c(nn1C)-c2ccc(c(c2)COC)Cl)Cl	149
+Fc1c(F)c(c(F)c(F)c1C(OC)=O)N	47
+Fc1cc(c(F)cc1C)C(OC)=O	279
+c1(OC)cc(C(=O)O)cc(c1)F	57
+c1c2c(cc(-c3cc(c(NC(N)=O)[nH]3)C(=O)N)cc2)ccc1	8606
+Clc1cc(cc(Cl)c1C#N)NC(SC)=NC#N	2980
+O=S(=O)(c1ccc(cc1)NC(SC)=NC#N)N	2980
+N#Cc1cc(F)c(cc1F)CC(OC)=O	27
+N1(C=CC=C(C1=O)C(=O)NC(CC(OC)=O)c2sccc2)Cc3ccc(F)c(F)c3	27
+N1(c2c(C(=O)N(c3ccc(nc13)F)C)cc(CCO)cn2)CC	1745
+N1(c2ncc(cc2C(Nc3c1nc(cc3C)Cl)=O)CCO)CC	1745
+N1=NN(c2cccc(Br)c2COC)C(=O)N1C	149
+COC=1N=C2N(C=CC=C2)C(C=1Br)=O	8607
+O(C(=O)C1CCCCC1N)C	27
+Nc1c(c(c(C(=O)OC)cc1)C)[N+]([O-])=O	128
+Nc1c(c(cc(c1)C(=O)OC)O)I	128
+Nc1c(c(C(=O)OC)ccc1)Br	47
+Nc1c(c(C(=O)OC)ccc1)F	47
+Nc1c(C(=O)OC)ccc([N+]([O-])=O)c1	128
+Nc1c(cccn1)C(=O)OC	342
+Nc1c(ccnc1)C(=O)OC	128
+Nc1c2CCOc2c(cc1Cl)C(=O)OC	128
+Nc1cc(ccc1F)C(=O)OC	128
+O(c1nc(Cl)cc(N)c1[N+](=O)[O-])C	91
+Nc1cc(c(C(=O)OC)cc1Cl)O	128
+Nc1cc(C(=O)OC)c(cc1)O	47
+Nc1cc2CCCC(c2cc1)C(OC)=O	27
+Nc1ccc(cc1[N+]([O-])=O)C(=O)OC	47
+O=S(=O)(N(CCNc1cccnc1C(OC)=O)C)C	3662
+c1(N)nc(ccn1)-c2c(c3cc(ccc3s2)Cc4cc(C(=O)O)ccc4)C	1983
+C(c1cc(OC)cc(F)c1)C(=O)O	479
+O(C)c1cc(cc(OC)c1OC)CC(=O)O	479
+c1(OCCCCC(=O)O)c(c(O)c(cc1)C(c2c(O)cccc2)=O)CCC	8608
+c1(cccc(Cl)c1Nc2cscc2CC(O)=O)Cl	479
+c1(C(=O)O)cc(ccc1)-c2ccc3COB(c3c2)O	1983
+c1c(cc(c(c1)CC(=O)O)F)Br	479
+c1c(cc(c(c1)CC(=O)O)OC)Br	479
+c1cc(ccc1)CN2c3nc(nc(N)c3NC2=O)CC(OC)=O	2418
+c1cc(ccc1CC(=O)O)Cc2c(C)nc(N)nc2NCCCCC	479
+c1cc(ccc1C(C(=O)O)C)CC=C(C)C	479
+c1ccccc1COc2c(ncc(OCc3ccccc3)c2)C(=O)O	2828
+C1CC(CCO1)(c2cnc(nc2)C)C(=O)O	479
+c1ncncc1Oc2cc(C(=O)O)nc(C)c2	2828
+n1(-c2cc3CC(Cc3cc2)C(=O)O)c(C)nc4cnccc14	479
+c1cnn(n1)-c2c(cccc2F)C(=O)O	1983
+c1(cc[n+]([O-])c(C)c1OC)OC	857
+c1(O)c(C(=O)OC)cc(Br)c(OC)c1F	128
+O(C)c1sc(C(=O)OC)cc1	128
+O(CCc1cccc(F)c1)CC(OC)=O	167
+c1ccnc(c1OC)OC	91
+O(C)c1cc(cc(OC)c1)C=C(C(OC)=O)c2ccc(cc2)O	3261
+O1C(CCC1CCCCCCCC(=O)OC)CCC(O)(CCCCC)C	27
+O1C(c2c(cc(cc2)CCO)C1)=O	1745
+c1(cc2c(cc1)N(C(=O)N(C2=O)CC)CC)C(=O)OC	2656
+c1cc(ccc1C(=O)OC)C(C)CCOC2CCCCO2	2656
+c1(c(cc(Cl)c(c1)C(=O)O)Cl)OC	57
+c12ccccc1c(cc(n2)C(=O)O)C(OC)=O	47
+c12c(cc([N+]([O-])=O)cc1C(OC)=O)cccc2	128
+O(C)C(=O)c1ccc(c(c1N)OC)OC	47
+c1c([N+]([O-])=O)c(c(c(F)c1C(OC)=O)F)N	128
+C1C2C3C(CCC2(C(=O)C1)C)c4c(CC3)cc(c(C(OC)=O)c4)OC(=O)C	128
+O=C1Nc2c(cccc2)CC1CC(=O)OC	167
+O=Cc1cc(cc(C)c1O)C(=O)OC	47
+O=Cc1cc(ccc1O)C(=O)OC	47
+c1(nc2c(cc1C=O)cc(Cl)c(OC)c2)OC	1155
+O=Cc1ccc(-c2ccc(cc2F)F)c(F)c1OC	57
+O=Cc1ccc(cc1O)C(=O)OC	128
+O(C)c1cnc(c(Cl)n1)C=O	799
+O=S(=O)(C)Nc1c(c(ccc1)CC=O)C	8609
+O=S(=O)(C)c1ccc(Oc2cc3cc([nH]c3c(O)c2)C(=O)OC)cn1	128
+O=S(=O)(C)c1ccc(Oc2cc(OC)c3c(cc(C(OC)=O)[nH]3)c2)cn1	2824
+O=S(=O)(C)c1cc(c(cc1)C(=O)OC)Cl	47
+O=S(=O)(C)c1cccc(c1)-c2ccc(-c3cc(nn3-c4ccccc4Cl)CC(OC)=O)s2	1838
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCO	1745
+O=S(=O)(c1cc(C(OC)=O)c(O)cc1)C2CC2	47
+C1CCC1S(=O)(=O)c2ccc(Br)c(c2)OC	57
+O=S(=O)(CC)c1ccc(Br)c(OC)c1	57
+O=S(=O)(Nc1ccc(c(c1)C(OC)=O)F)CCC	47
+O=S(=O)(N)c1cc(c2OCCOc2c1)C(OC)=O	47
+O=S(=O)(N)c1ccc(c(C(=O)OC)c1)O	128
+O=S(=O)(NC)c1ccc(c(C(OC)=O)c1)OC	1668
+O=S(=O)(NC)c1cc(c(O)cc1)C(=O)OC	128
+Fc1cccc(F)c1NS(=O)(=O)c2nn3c(n2)c(ccc3OC)OC	8610
+O=S(=O)(c1nc2nc(cc(n2n1)OC)C)Nc3c(ccc(C)c3Cl)Cl	8611
+c1c(C)c(c(cc1C)C)CC(NC2(CCN(CC2)OCC)C(OC)=O)=O	1838
+O=S(=O)(c1c(ccc(c1)C(OC)=O)Br)Cl	47
+O=S(=O)(N1CCN(CC1)C)c2ccc(c([N+](=O)[O-])c2)OC	556
+O=S(=O)(N)c1cc(cc(C)c1OC)[N+]([O-])=O	57
+O=S(=O)(Nc1ccc(C(OC)=O)c(c1)O)c2cc(ccc2)-c3cc(OCC)ccc3	47
+O=S(=O)(c1ccc(nc1)C=Cc2ccc(cc2F)F)c3cccc(c3)C=O	1179
+O=S(=O)(c1cc(CC(=O)OC)ccc1)C	27
+c1(nccs1)CN2c3cnc(c(O)c3C=C(Br)C2=O)C(=O)OC	3843
+O=S(=O)(c1ccc(cc1)NC(=O)Nc2cccc(C(=N)OC)c2)NCc3c(c(ccc3F)F)F	3703
+O=S(=O)(c1cnc(Oc2cc3c([nH]c(c3)C(=O)OC)c(O)c2)cc1)C	128
+O=S(=O)(Nc1cncc(Cl)c1O)c2cnc(OC)c(Br)c2	91
+O=S(=O)(C)c1nccc(C(CC(OC)=O)NC(c2cncc3c2cnn3-c4ccc(cc4)F)=O)c1	167
+c1([N+]([O-])=O)cccc(c1C#N)OC	1118
+c1cc2[nH]c(cc2cc1)C(OC)=O	226
+c1ccccc1C=2c3c(ccc(Cl)c3)-n4c(nnc4CN=2)CC(OC)=O	4471
+c1cc(ccc1I)C(C)C(OC)OC	8612
+O(C)C(OC)(CC(=O)Nc1cccc(OCc2ccccc2)c1)C	8613
+Oc1c(CC(OC)=O)cccc1	27
+Oc1c(ccc(c1)C(CCCC(OC)=O)=O)O	27
+C(c1cccc(C)c1O)(=O)OC	47
+c1(c(cc(c(C)c1)C(=O)O)[N+]([O-])=O)OC	1118
+c1(c([N+]([O-])=O)cc(F)c(c1)Br)OC	57
+C(=O)(OC)C(C)c1cc(c([N+]([O-])=O)cc1F)F	27
+[N-]=[N+]=NC(CCCCOCc1cc(C)c(F)cc1)C(OC)=O	167
+C(C(=O)OC)(C)c1ccc2Sc3c(cc([N+]([O-])=O)cc3)CC(=O)c2c1	27
+O(c1cc[n+]([O-])c(CCC)c1)C	1210
+COc1c2c([nH]cc2)ncc1	3876
+[nH]1nc(C(=O)OC)c([N+](=O)[O-])c1	226
+[nH]1nc(cc1)C(=O)OC	226
+c1(-c2noc(n2)C)cc(ccc1)C(=O)OC	47
+c1(Br)cccc(F)c1C(=O)OC	47
+c1(Br)cccc(C(=O)OC)c1C	47
+Oc1c(CNc2cncc(OC)n2)cccc1	1335
+Cc1c(c(I)ccc1)C(=O)OC	128
+c1(c2cccnc2[nH]c1)C(=O)OC	342
+c1(cc(Br)c(C)s1)C(=O)OC	1532
+c1(cc(Br)cs1)C(=O)OC	1532
+COc1cc(cc(Cl)n1)C(=O)OC	47
+c1([N+]([O-])=O)c(c(cc(c1)C(=O)OC)O)C	47
+c1cccc(Sc2c(cccc2)OC)c1C(OC)=O	128
+c1(Cl)c(Cl)ncc(c1)C(=O)OC	342
+n1cc(N)cc(c1)C(=O)OC	342
+c1(C(C(C(=O)OC)N)C)[nH]cnc1	27
+c1(C)c2c(ccc1)c(OC)ncc2Br	91
+c1(C)cc(ccc1F)C(OC)CC(CC=C)C(OC)=O	27
+c1(nc(nc(c1)C(=O)OC)OC)C	482
+c1(C)cc(C)c(c(OC)n1)C#N	91
+O(c1c(Cl)nccc1)C	2824
+Cc1nc(c(cc1F)C(=O)OC)OC	91
+c1(Cl)c(cccn1)C(=O)OC	342
+n1cccc(C(=O)OC)c1OC	91
+COc1c2CCCc2ncc1	260
+c1(Cl)cc(c(OC)c(c1Cl)I)C(=O)C	1668
+c1(Cl)cc(C(=O)OC)c(OC)cc1O	47
+c1(c(OC)ncc(c1)C(=O)OC)[N+]([O-])=O	91
+c1(F)c(Cl)cc[n+]([O-])c1CO	3987
+c1(F)c(F)c(c(cc1)CC(OC)=O)C	27
+O=Cc1ccc(Br)c(F)c1OC	57
+O=C(C(=O)C=Cc1ccc(c(F)c1)Br)OC	4546
+c1(N)ccnc(c1)C(=O)OC	226
+c1(N2C(CC(C(OC)=O)C2)=O)ccc(c(C)c1)O	27
+c1(NC(C)=O)c(c(c(cc1)Br)C(=O)OC)[N+]([O-])=O	128
+O=Cc1ccc(NC)nc1	8614
+c1(OC)cc(cc(Br)c1)C(=O)OC	128
+O(c1cc(cc(OC)c1)CC(=O)OC)C	167
+COc1cc(Cl)c([N+]([O-])=O)cc1F	57
+COc1cccc(F)c1[N+]([O-])=O	20
+C(=O)(c1c(C)ccc([N+]([O-])=O)c1)OC	47
+C(=O)(OC)c1ccc([N+]([O-])=O)cc1C	47
+C(c1ccc([N+]([O-])=O)cc1O)(=O)OC	47
+c1([N+]([O-])=O)ccc(nc1)C(=O)OC	226
+c1([N+]([O-])=O)cccc(C(C(OC)=O)N)c1	27
+c1([nH]nc(c1)[N+](=O)[O-])C(=O)OC	226
+c1(c(Br)c(C)cc([N+]([O-])=O)c1)CC(OC)=O	27
+c1cc2c(N(C(=O)C=C2)C)c(c1OC)Br	57
+c1(c(Br)cc(c(C(OC)=O)c1)F)F	47
+c1(cc(C(=O)OC)c(cc1Br)OC)F	57
+c1(c(cc(c(N)c1Cl)[N+](=O)[O-])C(=O)OC)F	128
+COc1c(Br)c[n+]([O-])c(c1C)C	1210
+COc1c(c(ncc1C)CO)C	260
+c12c(OC)ccnc1c([N+]([O-])=O)c(Cl)cc2	260
+c1(c(F)ccc(c1)C(=O)OC)[N+]([O-])=O	47
+c1(c(F)ccc2ncc(nc12)OC)C	1534
+c1(c(F)nc(c(Cl)c1C=O)F)Cl	1179
+COc1c(N)nc2c(ccc(C)c2)n1	1534
+C(c1c(c(F)ccc1)F)(=O)OC	47
+c1c(c(c(c(c1)[N+]([O-])=O)CC(=O)C)F)OC	57
+c1(c(cc(C(=O)OC)c(C)c1)[N+]([O-])=O)OC	47
+c1(c(cc(CC(OC)=O)cc1)Cl)Cl	27
+c1(c(ccc(C)c1C(=O)OC)O)F	128
+O(C)C(Cc1c(cccc1)I)=O	27
+c1(c(C(=O)OC)cccc1Cl)Br	128
+c1(c2ccc(cc2cnn1)-c3c(C)ccc(c3)C(=O)OC)O	47
+C=1C(=C(C([NH+]([O-])C=1)=O)C)SC	8615
+c1cccc(c1C(OC)=O)C(c2cc([N+](=O)[O-])c(Cl)cc2)=O	47
+O(C)c1c(NC(=O)C)c(F)cc(Cl)c1[N+](=O)[O-]	57
+O(C)c1c(NC(OCC)=O)c(F)cc(Cl)c1[N+](=O)[O-]	57
+O(C)C(Cc1cc(c(Cl)cc1Cl)OC)=O	167
+c1(cc(C(=O)OC)c(cc1Br)Cl)F	47
+c1c(C)c(c(cc1C(=O)OC)C)OC	128
+c1(OC)cc(cc([N+]([O-])=O)c1)C(=O)O	1118
+c1c(C(OC)=O)nccc1-c2ccc3cc(OC)ccc3c2	128
+C(=O)(c1ccc([N+]([O-])=O)cc1F)OC	47
+c1(ccc(cc1Br)OC)CC(OC)=O	27
+c1(cccc(Cl)c1C(Cc2c(cc(Cl)cc2)Cl)C(=O)OC)Cl	27
+C(c1cccc(Cl)c1[N+]([O-])=O)(=O)OC	47
+C(c1cccc([N+]([O-])=O)c1F)(=O)OC	47
+c1(ccccc1Cl)C(N)CC(OC)=O	27
+c1(ccnc(OC)c1Br)C	91
+c1(nc(N)c2c(n1)n(C3CCCCO3)c(OC)n2)NC(CCC)C	1010
+c1(nnc(Cl)cc1OC)N	8616
+c12c(ccc(c1)O)C(CC2)C(OC)=O	1643
+n1c(OC)c2c(cc1OC)c(Br)ccc2	91
+c12c(OC)nc(Cl)cc1c(Br)ccc2	91
+c12c(ccc(c1cccc2)C(C(CCCC(=O)OCC)O)=O)F	3409
+c12cc(C(=O)OC)[nH]c1cc(cc2)O	226
+c1(c2c(cc(c(OC)c2)F)c(nc1)O)OC	8617
+c12ccc(cc1[nH]c3c(ccc(Br)c23)C(=O)N)COC	2868
+c12ccc(c(c1occ2CC(OC)=O)Cl)O	27
+c1(C(=O)OC)c[nH]c2c(ccc(F)c12)Br	342
+c1(OC)cc(cc(Br)c1)C(=O)O	2983
+c1c([N+]([O-])=O)cc(N)cc1C(=O)OC	47
+c1c(cc(cc1C(=O)OC)O)Br	47
+c1c([N+]([O-])=O)cc(cc1C(=O)OC)O	47
+c1c(Br)c(Cl)ccc1C(=O)OC	47
+c1c(Br)c(F)ccc1C(=O)OC	128
+c1c(Br)c(ccc1C(=O)OC)O	47
+c1c2CCCC(c2ccc1C(=O)OC)=O	47
+C(c1c(cc(C)c(Br)c1)O)(=O)OC	47
+COc1nc(cc(C)c1C(=O)OC)Cl	91
+Cc1cc(cc(C)c1O)CC(OC)=O	27
+c1c(OC)ccc(c1C)C	1668
+c1c(C)nc(cc1-c2nc(O)c3c(cc(cc3OC)F)n2)C	1111
+c1c(CC(O)C(OC)=O)cc(Br)c(c1)O	1643
+c1cc(ccc1)COc2cc(c(Cl)c(c2)Cl)OC	556
+COc1cc(cc(F)c1[N+]([O-])=O)Br	57
+c1(ncn(-c2c(F)cc([N+]([O-])=O)cc2OC)n1)C	57
+c1c(F)c(c(cc1[N+](=O)[O-])F)N2CCC(CC2)(COC)O	850
+Nc1cc(c(cc1F)C#N)OC	57
+c1(cc(cc(F)c1)-c2c(c(C)c(cc2C(C)O)Cl)C(=O)O)F	4547
+C(CCC(Nc1cccc(C)c1C)=O)(OC)=O	167
+c1c(Nc2c(c(OC)cc(c2F)F)[N+](=O)[O-])c(F)cc(I)c1	57
+c1c(OC)c(Cl)ccc1C(=O)OC	128
+c1c(OC)c(cc(c1)C(=O)OC)O	47
+c1(OC)cc(Br)cc([N+]([O-])=O)c1	1118
+c1(OC)cc(ccc1[N+]([O-])=O)O	57
+c1c(c(O)c(Br)cc1Br)CC(OC)=O	27
+O1Cc2c(ccc(c2OC)Br)C1=O	8618
+c1c(CC(OC)=O)c(c(Cl)cc1)C	167
+c1c(c(Cl)cc(Cl)c1Cl)C(=O)O	4547
+C(c1cc(ccc1O)O)(=O)OC	47
+c1c(cc(C)c(C(=O)OC)c1)Br	47
+c1c(cc(OC)c(c1)C#N)Br	57
+c1c(cc(c(C(=O)OC)c1)O)Br	47
+c1c(cc([N+]([O-])=O)c(C(=O)OC)c1)Br	47
+c1c(cc(C(=O)OC)c(F)c1)F	47
+c1c(cc(c(Nc2c(C(=O)OC)cnc(OC)c2F)c1)F)Br	91
+c1c(cc(c(Nc2nc(ccc2C(=O)OC)Cl)c1)F)Br	342
+c1c(cc(c(Nc2c(C(=O)OC)cnc(Cl)c2F)c1)F)Br	128
+c1c(cc(c(Nc2c(C(=O)OC)ccc(OC)n2)c1)F)Br	91
+O(C)c1c(CCCO)cc(C(=O)OC)cc1OC	128
+c1c(cc(C(=O)OC)c(c1)O)F	47
+c1c(cc(cc1F)C(CC(OC)=O)N)Br	27
+c1c(cc(cc1[N+]([O-])=O)C(=O)OC)I	128
+c1c(cc2c(n[nH]c2c1)C(=O)OC)Br	226
+c1c(cc2c(c[nH]c2c1)CC(OC)=O)Br	167
+c1c(cc2c(c[nH]c2c1)CCC(OC)=O)Br	167
+c1c(cc2ccc(OC)nc2c1)Br	1155
+c1c(ccc(-c2oncc2CCC(OC)=O)c1F)F	27
+c1c(CC=O)ccc(C#N)c1OC	2984
+c1c(ccc2oc(C(=O)OC)cc12)O	8619
+c1c(cnc(c1F)C(=O)OC)F	128
+n1cc(Cl)c(cc1OC)-c2cc(cnc2N)F	91
+c1(ccc(F)c(Br)n1)C(=O)OC	226
+c1ccc(C(OC)=O)nc1-c2nc(Br)ccc2	226
+c1(nc(ccc1)C)C(=O)OC	226
+COc1nc(nc(C(=O)OC)c1)Cl	145
+c1(ccc2c(ccs2)n1)C(=O)OC	226
+COc1nnc(-n2nc(cc2-c3ncccc3)C(=O)OC)cc1	485
+c1c(oc(c1)C(=O)OC)C	128
+c1c(oc2c1cc(cc2)C(=O)OC)CC	47
+c1c2c([nH]cc2CCC(OC)=O)ccc1	27
+c1c2c(ccc1OC)cc(C(=O)OC)c(n2)-c3ccsc3	8620
+c1(c(CC)cccc1)CC=O	2984
+c1cc(ncc1Br)CS(=O)C	8621
+c1cc(O)c(nc1)C(=O)OC	226
+c1(OC)ccc(nc1OC)I	640
+C(c1ccc(Cl)nc1Cl)(=O)OC	342
+C(C=O)c1ccc(c(c1)F)C#N	2984
+c12cccc(OC)c1cccc2N	1668
+c1cc(cc(CCCCCC)c1OC)C(=O)OC	47
+c1cc(cc(N)c1)Oc2ccnc(C(OC)=O)c2	128
+c1ccccc1-c2c(c(C(OC)=O)c3c(cccc3)n2)C	279
+c1ccccc1-c2c(C(=O)OC)ccc(c2)Br	47
+c1cc(ccc1)-c2nc(c(c(C)n2)C(C(OC)=O)CCC)O	27
+c1cc(ccc1)C(C2CCCC2)C(=O)OC	27
+c1cc(ccc1)C(C(=O)OC)C2CCCCC2	27
+c1ccccc1C2N(C(CC2C(OC)=O)=O)C	167
+c1ccccc1COc2ccc(c(CC)c2)C(C(OCC)C(=O)OC)O	4545
+CC1(C)C(N(Cc2ccccc2)C(CO1)C(=O)OC)=O	167
+c1cc(ccc1)CN2N=CC(Cl)=C(C2=O)OC	8622
+C1CN(CCC1CNc2nccnc2OC)C(OCc3ccccc3)=O	799
+c1cc(ccc1)COc2c(Cc3c(OC)c(c(OC)c(c3C)OC)OC)cccc2C(=O)OC	128
+c1cc(ccc1)CN2c3c(c(nc(N(C)C)n3)N)NC2=O	8623
+c1ccccc1Cn2c(nc3c(N)nc(NCCOC)nc23)OC	1010
+c1cc(ccc1)N2C(c3cccc(c3)OC)C(C(OC)=O)CC2=O	27
+c1cc(ccc1)S(=O)c2ccc(nc2)OC	640
+c1cc(ccc1)Sc2c(cc(cc2)Br)C(OC)=O	47
+c1cc(ccc1Cl)-c2c(C(O)C(OC)=O)c(C)nc3[nH]c(c(C)c23)C	27
+c1cc(ccc1C)-c2cc(C(=O)OC)cc(c2)[N+]([O-])=O	47
+c1cc(ccc1-c2ccc(N)cc2C)C(OC)=O	47
+c1cc(ccc1-c2oc3c(cc(c(c3)N(c4cc(CC(=O)OC)c([N+](=O)[O-])cc4)S(=O)(=O)C)C5CC5)c2C(NC)=O)F	167
+c1cc(ccc1-c2oc3cc(c(cc3c2C(NC)=O)OC(C)C)CC(OC)=O)F	27
+c1cc(ccc1[N+]([O-])=O)-n2c(COC)nc(-c3c(noc3C)-c4ccccc4)c2	2130
+c1cc(ccc1Br)C2CC(CC2)(N)C(=O)OC	27
+c1cc(ccc1-c2nc3n(cc(cc3)C)c2)C=O	1179
+c1cc(ccc1CC(=O)OC)C#N	27
+c1cc(ccc1C=O)NCCCCCCCCCCCCCCCC	1179
+c1cc(ccc1C(=Cc2ccc(F)c(c2)C)C(OC)=O)O	2985
+c1cc(ccc1-c2ccc(N)nc2)C(OC)=O	47
+c1cc(ccc1C(C)(C)C(OC)=O)O	27
+c1cc(ccc1C(C)(C)CC(OC)=O)OC	167
+c1cc(ccc1C(C)C)NC(=O)c2ccc(nc2)OC	91
+CC(C)(C(OC)=O)CC(=O)c1ccc(cc1)Br	167
+c1cc(ccc1C(CCCC(=O)OC)c2cccnc2)CCNS(=O)(=O)c3ccc(cc3)Cl	27
+c1cc(ccc1C(NC(C(=O)O)CCCC(=O)OC)=O)F	167
+c1cc(ccc1C(OC)=O)-c2ccc(N)nc2C	47
+c1cc(ccc1CCCCCCCCCCCC)C(OC)=O	47
+c1cc(ccc1C(=O)OC)OCCCCCCOC	176
+c1ccccc1C(c2ccc(cc2)Br)C(OC)=O	27
+c1cc(ccc1-c2nc(OC)cc(n2)C)C	145
+c1cc(ccc1C=CC(=O)OC)C	2985
+c1cc(ccc1Oc2ccccc2C(=O)OC)C	47
+n1c(sc(-c2occc2)c1)Cc3c(Cl)ccc(C4OC(COC)C(C(O)C4O)O)c3	8624
+c1cc(ccc1C2C(C2)C(=O)O)Cl	8625
+c1cc(ccc1C=C(C)C(OC)=O)O	8626
+c1cc(ccc1C=CC(C(=O)OC)=O)-c2cc(OCC)ccc2	4546
+c1cc(ccc1C=CC(=O)OC)Cl	2985
+c1cc(ccc1COC)CC(=O)O	149
+c1cc(ccc1CC(=O)OC)CC(=O)NCCCc2c(nc(N)nc2C)NCCCCC	167
+c1cc(ccc1O)CC(C#N)C(OC)=O	167
+c1cc(ccc1CC(C(=O)OC)NC(C)=O)Br	27
+c1cc(ccc1CC(=O)OC)S(=O)(=O)C	167
+c1cc(ccc1CCC(=O)OC)F	167
+c1cc(ccc1CCNc2nc(nc(CO)c2)OC)OC	482
+c1cc(ccc1CC(OC)=O)CN(CCCN2C(Nc3c(nc(nc23)OCCCC)N)=O)CCCO	27
+c1cc(ccc1CNC(=O)c2c(O)c3c(nc2)c(cc(I)c3)OC)Cl	4548
+c1cc(ccc1COC(N2CC(O)CC2C(OC)=O)=O)OC	167
+c1cc(ccc1Cc2cccc(C(=N)OC)n2)Cl	4549
+c1cc(ccc1C(CO)=O)Cl	8627
+c1cc(ccc1CN2C(=O)C(OC)=NN(c3c(CO)cccc3)C2=O)Cl	4550
+c1cc(ccc1Cl)CN2C(C(=NN(C2=O)c3cc(NC(C)=O)ccc3)OC)=O	4550
+c1cc(ccc1CNC(=O)c2c(c3cc(c(c(OC)c3nc2)F)F)O)Cl	4548
+c1cc(ccc1Cl)S(=O)(=O)N2CCCC(Nc3nccc(-c4n5c(scc5)nc4-c6cccc(C(N)=O)c6)n3)C2	8628
+CC1(C)OC1(OC)c2ccc(cc2)F	2636
+c1cc(ccc1CN(C(CC(=O)C(OC)=O)=O)OC)F	2935
+c1cc(ccc1F)CNC(=O)c2c(O)c(OCc3ccccc3)c(C(=O)OC)nc2	226
+c1cc(ccc1F)CNC(c2cnc(c(c2O)OC)C)=O	1810
+c1cc(ccc1N)C(CCC(OC)=O)=O	167
+c1cc(ccc1CCCc2ccc(cc2)N)Nc3c(cccc3)C(OC)=O	47
+c1cc(ccc1N2CC(C(=O)OC)CC2=O)C	167
+c1cc(ccc1OCCCCCCOC)N2CCN(CC2)C(=O)C	176
+c1cc(ccc1Nc2nc(-c3nc(ccc3)OC)nc4ccccc24)Cl	640
+c1cc(ccc1C(=O)OC)Nc2ncnc(N(C)C)c2	128
+c1cc(ccc1Nc2c3c(cc(OC)c([N+]([O-])=O)c3)ncn2)Oc4ccccc4	724
+c1cc(ccc1O)-c2ccc(cc2)C(OC)=O	47
+c1cc(ccc1O)C(N)CC(OC)=O	27
+c1cc(ccc1O)CCCCCCCCC(OC)=O	27
+c1cc(ccc1OC)-c2nc(OC)nnc2-c3ccc(cc3)OC	8629
+c1cc(ccc1OC)-c2c(oc(n2)OC)-c3ccc(cc3)OCc4ccccc4	8630
+c1cc(ccc1CNc2cccc([N+]([O-])=O)c2C)Oc3ccc(cc3)CCC(OC)=O	167
+c1cc(ccn1)-c2cn(nc2-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F)C5CCN(CC5)C	2690
+c1cnccc1-c2c(nc(N)nc2-c3cc(F)ccc3)OC	145
+c1cc2c(CC(NC2)C(OC)=O)cc1F	27
+c1cccc(-c2cc([N+]([O-])=O)cc(C(=O)OC)c2)c1OC	47
+c1ccccc1-c2c(OC)ncc([N+](=O)[O-])c2	640
+c1ccccc1C(C)N2C(=O)CC(CC=C)(C2)COC	2868
+c1ccccc1C(=O)Nc2cc(c(cc2)OC)[N+](=O)[O-]	57
+c1ccccc1C(c2ccccc2)(C)C(C(=O)N)O	8631
+c1cc(ccc1)C(c2ccccc2)C(=O)OC	167
+c1ccccc1C(c2ccccn2)C(OC)=O	4473
+c1ccccc1C(C)n2c3nc(ncc3c(c2C)C(=O)NCc4c(cc(nc4O)C)C)OC	482
+C1CNCCC1(C(OC)=O)c2ccccc2	167
+c1ccccc1C=2c3cc(Br)ccc3C(=O)OC=2C(=O)OC	8632
+c1ccccc1CC(C(OC)=O)O	27
+c1ccccc1CCC(N)C(OC)=O	27
+c1ccccc1CCCCCC(OC)=O	27
+c1ccccc1CCCCCCC(C(=N)OC)O	1664
+c1ccccc1CN2CCc3nc(Cl)nc(OC)c3C2	145
+c1ccccc1COC(N2CCC34CCCCC3C2Cc5cc(c(cc45)O)OC)=O	669
+CC(C)CC(NC(=O)OCc1ccccc1)C(COC)O	850
+c1ccccc1COC(NCC(C(=O)OC)C)=O	27
+c1ccccc1COC(NC(CN)C(OC)=O)=O	27
+c1ccccc1COc2c3c(cc(Cl)c2)oc(-c4nc5n(nc(OC)s5)c4)c3	2867
+c1ccccc1COc2c3cc(oc3ccc2)-c4nc5n(c4)nc(OC)s5	2867
+c1ccccc1COc2c3n(CCOC)c(C)nc3cc(c2)C(=O)OC	47
+c1ccccc1COc2ccc(cc2)N3C(CC(C(=O)OC)C3)=O	167
+c1ccccc1COc2ccc3n(ccc3c2)CCC(OC)=O	167
+c1ccccc1Cc2cccc(C(=N)OC)n2	4549
+c1cc(ccc1)S(CC2CC(=O)N2)=O	8633
+c1cnccc1-c2c(-c3ccc(cc3)OCc4cc(OC)c5ccccc5n4)nn(c2)C	260
+c1cnccc1CNc2nc3c(c(N)n2)nc(OC)n3Cc4ccc(cc4)CO	1010
+c1nc(ncc1)-c2nc(c(Oc3c(OC)cccc3)c(OC)n2)N	145
+c1nc(ncc1O)-c2cccc(C(OC)=O)c2	47
+n1c2ccccc2c([nH]1)C(OC)=O	226
+n1c(Br)sc2cc(ccc12)C(=O)OC	47
+n1cc2ccccc2cc1COC	2702
+COc1nc(nc(Cl)c1)SC	145
+c1c(CSc2nc(Cl)cc(n2)OC)c(c(F)cc1)F	145
+COc1nc(ccc1F)F	430
+COc1ncc(C)c(c1C)I	430
+n1cc(ccc1-c2ccc3cc(OC)ccc3c2)C(=O)OC	128
+o1c2c(c(c1C(CCCCOC)=O)C)cc(OC)cc2	649
+o1c2c(cc(cc2)C(=O)OC)c(c1CO)C	128
+OB(O)c1cc(OC)c(cc1)F	493
+OB(O)c1cnc(cc1)OCCCCCC	493
+COB(O)c1ccc(nc1)OCCCCCC	493
+c1c(c([N+]([O-])=O)cc(-c2cc(OCC)ccc2)c1)CC(OC)=O	1540
+c1cc(ccc1OC)-c2cc3NC(=O)C(c3cc2)C(OC)=O	8634
+c1ccc(Nc2ccc3OCOc3c2)c(C(OC)=O)c1C(OC)=O	1215
+c1ccc(c(C(OC)=O)c1C(OC)=O)Nc2c(cccc2)OC	1215
+c1c(-c2c(c(C(OC)=O)sn2)C(=O)OC)cccc1C	8635
+O=C(C(c1c2c(ccc1)ccn2CC)=O)OC	8636
+CC1(C)OC2C(O1)C(Nc3nc(nc(OC)c3I)SC)CC2CO	1522
+CC1(C)OC(CO1)c2ccc3cccc(Br)c3n2	1522
+c1cc(ccc1Br)CC2OC(C)(C)OC2	1522
+c1cc(ccc1NC(=O)C(C(OC)=O)C(C)C)I	8637
+c1cc(ccc1CCCCO)OCC2OC(C)(C)OC2	1522
+c1ccccc1COc2ccc(cc2)CC3OC(C)(C)OC3=O	8638
+CC1(C)OC2CCCCC2N1c3nc4c(s3)cc(cc4)C#N	8639
+N#Cc1c(cc2c(C(=NC3=C(C)NNC3=N2)c4c(cccc4)Cl)c1)OCCOCCOC	8640
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(OCC)=O	730
+c12c3c(cccc3)ncc1nc(CCC)n2CCCC(OCC)=O	730
+c12c3c(cccc3)ncc1nc(CCC)n2Cc4cc(on4)-c5cccnc5	730
+c1cc(ccc1F)-c2noc(Cn3c(CCC)nc4cnc5cccnc5c34)c2	3838
+c1cc(ccc1F)-c2cc(Cn3c4c5ccccc5nc(Cl)c4nc3CCC)on2	730
+O=S1(=O)CC(n2c(CCl)nc3cc(cc(F)c23)Cl)CC1	8641
+COC(OC)C1(CC(c2c(c(O)c(C)c(c2O1)C)C)=O)C	2003
+c12c(cc(cc1)F)cnc(O)c2	4551
+O(C)C(OC)C1(Oc2c(c(c(O)c(C)c2C)C)CC1)C	165
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=4CC(ON=4)C(OC)OC	1820
+c1cc(ccc1-c2nn3c(c2-c4ccncc4)nccc3)F	8642
+O(C)C(OC)CN=C1c2ccccc2Nc3cc(Cl)ccc3N1	8643
+COc1nc2N(C(=O)C=Nc2cc1)CC=O	571
+c1cc(ccc1F)CN(CC(OC)OC)S(=O)(=O)c2ccc(cc2)C	92
+c1cc(ccc1-c2nc3c(cc(C4=NNC(=O)CC4CC)cc3)o2)OCC=O	571
+n1cc([N+]([O-])=O)cn1CC=O	571
+COC(OC)Cn1ncc2c1ccc(c2)Oc3ccc(cc3CN)F	107
+c1cc(cc(c1Oc2cc3cnn(c3cc2)CC=O)C#N)F	571
+CN(C)CCN(Cc1cc2c(N(C(Nc3ncc(C#N)c(NCCOC)c3)=O)CCC2)nc1C(OC)OC)C(C)=O	2861
+COC(OC)c1c(cncc1F)N	8644
+C1CC(CCC1)N(C(=O)OCc2ccccc2)c3cccc(Oc4ccc([N+]([O-])=O)c(C=O)c4)c3	1054
+COC(OC)c1c([N+]([O-])=O)ccc(Oc2cccc(N(C3CCCCC3)C(=O)OCc4ccccc4)c2)c1	1199
+COC(OC)c1c(N)c(ncc1F)C2CC2	2222
+COC(OC)c1cc(Br)c(nc1)CO	813
+c1(cc(Br)c(CO)nc1)C=O	8645
+c1cc(ccc1-c2ccc(cc2)NC(C=Cc3ccc(cc3)C(OC)OC)=O)Cl	1313
+c1cc(ccc1O)CCNc2nc(ccn2)-c3cccc(C(OC)OC)c3	96
+COC(OC)c1c[n+](c(c(Br)c1)C)[O-]	103
+O=Cc1ccnc(SC)n1	4552
+COC(OC)c1c(N2C(COCC2)=O)cc3CCCN(C(Nc4ncc(C#N)c(NCCOC)c4)=O)c3n1	2861
+O=S(=O)(OC(c1cc2c(nc1C(OC)OC)N(C(Nc3ncc(C#N)c(NCCOC)c3)=O)CCC2)C)C	7
+COC1CC(C(=O)O)COC1	4
+O=S(=O)(c1ccc(N2CCC(C2)OC)nc1)Cl	4553
+COC1CCN(c2ccc(N)cn2)C1	13
+c1cc(ccc1Cl)C2=C(OC)N=C3C=CC=CN3C2=O	8646
+c1cc(ccc1C(COC)(COC)C(OC)=O)O	2986
+O=S(=O)(c1cnc(Oc2cc(OC(COC)COC)c3[nH]c(C(OC)=O)cc3c2)cc1)C	1346
+FC(F)(F)C1=CC(N(C(N1C)=O)c2c(cc(Cl)c3c(c(oc23)C)C(=NOC)C)F)=O	8647
+FC(F)(F)COc1cc(c(C(CBr)=NOC)nc1)Cl	1213
+c1c([N+]([O-])=O)c(cc(c1)C(=O)OC)C=NOC	135
+Cc1ccc(C=NOC)cc1F	135
+c1(cc(cc(Cl)c1CCC=NOC)Cl)Cl	410
+CONC(=O)c1cc(OC)cc(C2=Cc3c(cc(nc3)NCC)N(C2=O)CC)c1	514
+c1ccc(cc1C#Cc2cncc(C=NOC)c2)OC	506
+c12c(cc(cc1)C=NOC)ncn2-c3cccc(c3)Br	135
+c1(cc(cc(Cl)c1CCC(C)=NOC)Cl)Cl	350
+c1c2ncn(c2ccc1)-c3ccc(C(=NOC)CCCC)s3	8648
+c1cc(ccc1C=CC(N(OC)C)=O)Cl	8649
+c1cc(ccc1C=NOC)F	135
+c1cc(ccc1C(C)=NOC)I	189
+c1cc(ccc1OC)C=NOC	135
+c1cc(ccc1OCC(=O)c2cccc(OC)c2)CC(OCC)C(=O)NOC	293
+c1ccc2C(=O)N(C(=O)c2c1)CC(c3ncc(OC)cc3Cl)=NOC	1213
+c1ccccc1-c2ccc(c(C=NOC)c2)CO	135
+c1ccccc1[Si](c2ccccc2)(N3C(CC3C=NOC)=O)C(C)(C)C	410
+c1ccccc1NC(=O)N(CCCCn2c3c4ncccc4nc(N)c3nc2CCC)OC	3693
+COP(OC)(CC(=O)C(CCCc1ccccc1)C)=O	3978
+O(C)P(OC)(C(OC)C(=O)O)=O	4
+C1CC2(CCC1=CC(=O)OC)OCCO2	1513
+Fc1cc(cc(F)c1C=CC(OC)=O)NC(OC(C)C)=O	4554
+C1CC(CCC1=CC(=O)OC)(c2ccc(cc2)Br)CO	1513
+c1cc(ccc1Oc2ccccc2C=CC(=O)OC)Cl	4554
+c1(c(O)c2c(COC2=O)c(c1OC)C)CC=C(C)CP(=O)(O)OC	1560
+n1cc(cnc1C)C(CC=CC(CCc2ccc3CCCNc3n2)=O)CC(OCC)=O	1278
+COP(OC)(Cc1cc2cc(Cl)ccc2nc1C)=O	8650
+COP(OC)(CC(=CCc1c(c(c2c(C(OC2)=O)c1O)C)OC)C)=O	8651
+c1cc(ccc1Cn2c(nc(OC)n2)Br)OC	8652
+COc1c(-c2cc(ncc2F)N)ccc(c1)F	2987
+C(c1cc(OC)nc(Nc2cc(c(cn2)F)-c3c(OC)cc(cc3)F)c1)SC	346
+FC(F)(F)c1cc(CSC)cc(Nc2ncc(F)c(c2)-c3c(OC)cc(F)cc3)n1	346
+O(c1c(-c2ccnn2C)cc(C(=O)O)s1)C	1
+O(C)c1c(Br)cnc(CO)c1C	813
+COc1c(cc(cc1C)Br)C(=O)O	1
+c1(CO)cc(cc(C)c1OC)Br	98
+O(c1c(CO)cc(F)cn1)C	295
+COc1c(C)cc(cc1C(=O)C)F	155
+COc1c(cc(cc1Cl)F)C(=O)C	155
+FC(F)(F)c1c(ccc(NC(=O)c2c(CCCCCCCCCCCCCCC)cccc2OC)c1)C#N	50
+C(c1c(cccc1F)OC)CC	414
+c1c2c(cc(cc2)-c3c4c(OC)c(ccc4[nH]n3)Br)ccc1	1216
+O(c1c(Cc2cc3c(s2)cccc3)cc(Br)c4c1cccc4)C	1429
+c1(c(OC)c(C)cc(c1)F)C(C)N	474
+c1cc(ccc1[N+](=O)[O-])Oc2cc(OC)c(C)cc2	46
+COc1c(C=C)cc(Cl)c(c1)C(=O)O	1
+FC(F)(F)C(c1cc(Cl)c(c(Cl)c1)Cl)C=Cc2cc(c(C(=O)O)cc2OC)Cl	2517
+Clc1c(cnc(c1C(c2c(c(OC)c(cc2C)OC)OC)O)OC)Br	2988
+C(c1c(cccc1Cl)OC)C(=O)O	1746
+c1(C)c(OC)c(Cl)c(CO)nc1	813
+FC(F)(F)c1cnc(c(O)n1)-c2cc(OC)c(Cl)cc2F	2989
+C(O)c1cc(c(Cl)cc1F)OC	49
+c1(c(O)c(F)c(cc1)C(=O)N)F	5
+c1cc(ccc1C2CC(NC(c3cc(c(cc3)F)OC)C)CC2)CC(OCC)=O	87
+c1cc(ccc1C#N)Oc2ccc(c(c2)OC)F	46
+FC(F)(F)c1cnc(cc1)NCC2N(CC(CC2)C)C(c3cccc(c3OC)F)=O	30
+COc1c(c(C)cc(c1)Br)C#N	2223
+C12C(OCO1)CN(C2)CCOc3c(OC)cc4c(ncnc4Cl)c3	126
+C(c1ccc2c(c(OC)c(cc2c1)OC)OC)O	49
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC	159
+Oc1c(ccc(C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O)c1)O	2990
+c1(OC)cc(ccc1O)C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O	5
+c1c(N)cc(cc1)Oc2c3c(cc(OCCOC)c(OC)c3)ncn2	185
+FC(F)Oc1ccc(c(c1OC)OCOC)Br	1548
+COc1cccc(c1N)O	0
+c1cc(ccc1C2=Cc3c(OC2=O)c(OC)c(OC)c([N+]([O-])=O)c3)Cl	8653
+c1cc(ccc1CNC(c2c(OC)cc(cc2F)Br)=O)Cl	14
+c1(ccc(c(F)c1F)C(=O)c2cc(ccc2Cl)Br)OC	222
+COc1c(c(OC)cc(c1OC)C=O)OC	2224
+Cc1nn(C(C)c2cc(Cl)c(c(c2OC)-c3cc(C#N)ncc3)C)c4c1c(ncn4)N	2649
+O(C)c1c(c(I)c(c(c1N)C(=O)N)C)F	8654
+COc1cc(cc(NC)c1N)Br	0
+c1cc(ccc1)COc2cc(F)cc(OC)c2[N+](=O)[O-]	22
+c1(c(c(N)c(OC)c(F)c1)C(=O)O)C	4555
+c1(c(cc(OC)c(c1)C(=O)O)-c2ccccc2OCC)Cl	134
+c1(cc(C(=O)O)c(cc1-c2ccccc2F)OC)Cl	134
+COc1c(cc(c(CCO)c1)F)C#N	95
+[N+](=O)(c1cc(c(cc1OC)CCN)OC)[O-]	77
+Nc1c(C(=O)C)cc(c(c1)CC)OC	0
+COc1c(cc(F)c(c1)CC=O)C#N	24
+c1ccccc1-c2nc3c(nc2)cc(c(OC)c3C(OC)=O)Br	8655
+c1(c(ccc(c1)C(=CC)c2ccc(OC)c(c2)[N+](=O)[O-])OC)OCC	8656
+c1(cc(C)c(OC)c(c1)C(=O)O)-c2cc(F)ccc2	11
+c1(cc(cc(Cl)c1OC)F)C(C)N	474
+c1n(c(nc1)Sc2ccc(cc2Cl)Nc3c4c(cc(c(OC)c4)F)ncc3C#N)C	179
+CC(C)c1ccc(nc1OC)N	1747
+NC(=S)Nc1cc(c(cc1)-n2cnc(Cl)c2)OC	1099
+c1(NC(C)=O)c(C(=O)C)cc(c(OC)c1)CC	94
+c1ccccc1C#CC(c2ccc(c(c2OC)OC)[N+]([O-])=O)O	8657
+c1c(c(C2(O)C(=O)Nc3ccc(I)cc23)ccc1)OC	4556
+c1cc(ccc1)CN2CC3C(O)(c4c(cccc4)OC)C(CCC3C2)C	1035
+c1c(c(OC)c(Br)cc1)CO	49
+O(c1c2C(CCCc2nc(Cl)c1)O)C	652
+COc1c2CCCc2ncc1[N+]([O-])=O	1026
+Oc1c([N+]([O-])=O)cnc2CCCc12	5
+COc1cccc2c(C(=O)C)c[nH]c12	432
+O(c1c2n(ncc2)cc(Br)c1)C	4557
+c1cc(ccc1OC2Cc3c(c(ccc3C2=O)C)OC)[N+]([O-])=O	8658
+c1cc(ccc1)S(=O)(=O)n2c3c(c(OC)ccn3)cc2	276
+c1(Cn2nc(N)c3c(cccc23)OC)ccc(OC)c(c1)F	823
+COc1c(C(c2sc3c(cccc3)c2)O)cc(c4c1cccc4)Br	2991
+COc1c2c(C#N)cnn2cc(c1)Br	4558
+COc1c(C)ccc2cnc(Cl)nc12	511
+C[Si](C)(C)C#Cc1cnn2c1c(OC)cc(-c3cn(C)nc3)c2	8659
+COc1cc(-c2cnn(C)c2)cn3ncc(I)c13	8660
+c1cc(ccc1)CSc2c(cc(Nc3cc(Cl)c(cc3OC)Br)c(c2)C=CC(=O)OCC)F	1215
+c1cc(ccc1-c2c(Cl)c3c(c(c2)OC)NC(C3=O)=O)F	11
+c1cc(ccc1CON=C(c2c(Br)cc(c(O)c2)OC)C)[N+]([O-])=O	189
+Nc1cc(OCCOC)c(OC)cc1C#N	0
+Nc1cc(OCC#C)c(OC)cc1C(=O)OC	0
+Nc1cc(OCCOC)c(OC)cc1C(=O)OC	0
+COc1c(C=C)cc(Cl)c(C(=O)OC)c1	2225
+c1c(OC)c(Cl)ccc1C(=O)O	820
+N#Cc1ccccc1Oc2c(cc(cc2)C)OC	46
+COc1cc(CSC)cc(Cl)n1	639
+Nc1c(Cl)cc(OC)c(F)c1	0
+c1cc(ccc1C(=O)c2c(cc(OC)c(Br)c2)Cl)OCC	358
+O=S(=O)(Cl)c1c(OC)cc(c(C(=O)O)c1)OCC	240
+COc1cc(OCOC)c(cc1)C(N(OC)C)=O	280
+c1cc(ccc1OCc2ccccc2)C(c3c(OCOC)cc(OC)cc3)=O	1217
+[N+](c1cc(c(NC(C)=O)c(c1)O)Br)([O-])=O	5
+Nc1cc(c2c(CCC(=O)N2)c1)OC	0
+Nc1cc(c(cc1)-c2cnco2)OC	0
+Nc1cc(c(cc1)-n2cnc(CO)c2)OC	0
+Nc1cc(c(cc1)-n2cnc(Cl)c2)OC	0
+Nc1cc(OC)c(C)cc1	0
+O(C)c1c(-c2sc3c(cccc3)n2)ccc([N+]([O-])=O)c1	8661
+c1cc(ccc1)-c2noc(C)c2-c3oc(-c4c(cc([N+]([O-])=O)cc4)OC)nn3	2226
+Nc1cc(c(cc1)CC)OC	0
+COc1cc([N+]([O-])=O)ccc1-n2cnc(Cl)c2	2067
+COc1cc([N+]([O-])=O)ccc1-n2cnc(CO)c2	431
+c1(Cl)c(cc(OC)c(I)c1)-c2cc(F)ccc2	235
+Nc1cc(ccc1-c2cc(OC)ccc2F)C(=O)OC	0
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3ccc(c(Cl)n3)-c4c(F)ccc(c4)OC	328
+c1(I)c2c(n(C3CCCCO3)n1)cc(-c4c(CC)cc(OC)c(c4)F)cc2	580
+COc1c(c(cc(c1)Br)NC)[N+]([O-])=O	60
+c1c(OC)c([N+]([O-])=O)c(cc1C#N)F	180
+COc1cc(cc2n(nnc12)C)Br	2183
+COc1cc(cc(OC)c1)-c2cccc(c2)C(Nc3c(cccc3)-c4sc(cc4)C(OC)=O)=O	50
+COc1cc(cc(OC)c1)-c2cc(ccc2)C(=O)O	6
+COc1cc(cc(OC)c1)-c2cccc(c2)C(Nc3c(cccc3)-c4sc(cc4)C(O)=O)=O	1
+c1(OC)cc(cc(OC)c1)-c2ncc3c([nH]nc3c2)I	8662
+COc1cc(cc(OC)c1)-c2c3c(cc(cc3)OC)c(Cl)nn2	218
+C1CN(CCC1N2CCN(CC2)C)c3c(cc(Nc4ncc(cn4)CCc5cc(OC)cc(c5)OC)cc3)OC	8663
+CC(C)C(c1cc(OC)cc(c1)OC)(CC2CN(CCc3cc(OC)cc(c3)OC)CCC2)C#N	3851
+O(c1cc(cc(OC)c1)C(=O)Cc2ccnc(Cl)n2)C	4559
+O(c1cc(cc(OC)c1)C(c2cc(ccc2)OC)=CC#N)C	2719
+COc1cc(cc(OC)c1)C2=CC(c3ccc(cc3O2)OCC4OC4)=O	72
+c1cc(ccc1C(C(OC)=O)=Cc2cc(OC)cc(c2)OC)Oc3ccc(cc3)CO	41
+c1cc(ccc1Oc2ccc(cc2)C=C3SC(=O)NC3=O)C(C(OC)=O)=Cc4cc(OC)cc(c4)OC	377
+O(C)c1cc(cc(OC)c1)CC[N+]([O-])=O	364
+c1c(OC)cc(cc1CN2C(=C(c3ccccc3)c4c(ccc(Br)c4)C2=O)C(=O)OC)OC	8664
+c1(OC)cc(cc(OC)c1)Nc2c(-c3nnc([nH]3)Nc4cc(OC)cc(c4)OC)cccn2	8665
+O(C)c1cc(cc(OC)c1Br)CCl	229
+c1c(OC)c(c(cc1COC2CCC2)OC)B(O)O	422
+c1(cc(cc(OC)c1C(C)C)OC)OC	1382
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	171
+c1c(OC)c(c(cc1C2c3cc4c(OCO4)cc3C(C5C2COC5=O)N)OC)O	18
+O(C)c1cc(cc(OC)c1OC)-c2nccc(CO)c2	217
+O(C)c1cc(cc(OC)c1OC)-c2ncnc(C=O)c2	501
+COc1cc(cc(OC)c1OC)C(N2CCNC(C(OC)=O)C2)=O	115
+c1cc(ccc1C(c2cc(OC)c(c(OC)c2)OC)=O)OC	222
+O(C)c1cc(cc(OC)c1OC)C(=O)N(CCC2CCCN2C)CC(=Cc3ccccc3)C	8666
+c1c(OC)c(c(cc1Cc2sc3c(cccc3)c2)OC)OC	1429
+c1(cc(cc(OC)c1OC)CCC(=O)OC)OC	159
+c1(OC)cc(cc(OC)n1)CCc2cc(N)[nH]n2	4357
+c1c(OC)c(N)c([N+]([O-])=O)cc1C#N	180
+c1cc(C#N)c(cc1F)O	5
+c1cc(ccc1)-c2noc(C)c2-c3nnc(o3)-c4c(OC)cc(F)cc4	2226
+Clc1ccc(C(N(c2ccc(Cl)c(OC)c2)c3nc(C(=O)O)cs3)=O)c(Cl)c1	8667
+Fc1cc(cc(F)c1F)C=2c3cc(OC)ccc3C(=O)N(c4cccc(c4)C#N)C=2	2220
+c1(cccc(Cl)c1C(c2c(cc3c(c2)C=C3C#N)OC)=O)Cl	222
+c1(cc2ccc(O)nc2cc1)N3C(c4cc(OC)ccc4C3)=O	8668
+C(c1cc(c(C)cc1)N2C(=O)c3cc(OC)ccc3N=C2)(=O)O	1
+c1cc(ccc1)CNC2CCc3c(cc(cc3)OC)C2	87
+c1ccccc1CN2CCC(CC2)NC3Cc4c(ccc(OC)c4)CC3	87
+COc1cc2CC3(C(=CC(=O)CC3)c2cc1)C	2992
+C1(O)CCC2C3=C(CCC12CC)c4ccc(OC)cc4CC3	100
+c1ccccc1C2C(=O)c3c(cc(OC)cc3)CC2	8669
+COc1cc2c(cc1)C(NCC2)C	1218
+c1(c(cc2N(CCn3ncc(c3)[N+]([O-])=O)CCc2c1)OC)OC	713
+c1(cc2NC(=O)COc2cc1)N3C(CC(NCCCCN4C(=O)C=Nc5ccc(OC)cc45)C3)=O	110
+COc1cc2N(C(=O)C=Nc2cc1)CCCC=O	24
+C(C)N(CC)C(C)CN1CCC2=C(C(=O)Oc3cc(ccc23)OC)C1	4560
+O1c2c(C(NCC1)=O)ccc(c2)O	5
+c12c(C(C(=O)O)CC1)ccc(c2)O	5
+N(O)=C(CNC(C)=O)c1cccc2ccc(OC)cc12	189
+c1c(N)cc(cc1)N=C2NC(N3C(c4ccc(OC)cc4CC3)=C2)=O	0
+COc1cc2c(cc1)c(Cl)ncc2Br	137
+c1c(c(Cl)c2c(c1)C(C(CCCC)C2)=O)OC	196
+Cc1c(c(N2CCc3c(ccc(OC)c3)C2C)nc(Cl)n1)C	54
+Clc1cnc2n(c1)nc(C(=O)N3CCc4c(ccc(OC)c4)C3C)c2	147
+c1(cc2NC(=O)COc2cc1)N3CC(CC3=O)CNCCN4C(=O)C=Nc5ccc(OC)cc45	110
+COc1cc2c(cc1)c(Cl)ncc2O	8670
+C(NC(C)=O)C(O)c1c2c(ccc(OC)c2)ccc1	68
+O=Cc1c2c(ccc(OC)c2)ccc1	674
+COc1cc2c(cc1)n(cc2CC(=O)O)C	4
+COc1cc2c(cc1)nc(Cl)cc2CCNC(C)=O	68
+c1cc2nc(O)cc(C)c2c(c1OC)Cl	8671
+c1cc(ccc1)CN2CC(Nc3nc4c(cc(OC)cc4)c(c3)C)CC2	554
+C1CN(CCC12OCCO2)CCc3c(OC)cc4cccnc4c3	61
+c12cc(c(cc1CC(CCCC)C2=O)O)F	5
+c12ccc(nc1cc(O)c(c2)F)C	5
+FC(F)(F)Oc1ccc(cc1)N2C(N(C(C)(C)C2=O)Cc3ccnc4ccc(OC)cc34)=O	8672
+c1cc(ccc1)Nc2c3c(nc(Cl)n2)ccc(OC)c3	73
+c1c(c(Br)cc2n[nH]cc12)O	5
+c1ccccc1COC(n2c3cc(c(Cl)cc3nc2-c4ccc(c([N+](=O)[O-])c4)OC)Cl)=O	8673
+COc1ccc(c(CN)c1)Br	107
+C(O)c1cc(OC)ccc1Br	49
+c1(cc(C(c2c(C(O)=O)cc(OC)cc2)=O)ccc1)OC	2227
+O(C)c1cc(cc(OC)c1)C(=O)c2ccc(cc2C(=O)O)OC	1217
+COc1ccc(C(=O)c2cccc(c2)F)c(c1)C(=O)O	1217
+c1cc(ccc1C(=O)c2ccc(cc2C(=O)O)OC)-c3nnn(C)n3	1217
+c1cc(ccc1)C(=O)c2ccc(cc2C(=O)O)OC	2227
+c1cc(ccc1)OCC(=O)c2c(C(=O)O)cc(OC)cc2	586
+C(C(Cl)=O)c1cc(OC)ccc1Br	130
+COc1ccc(CC)c(c1)O	165
+C1(C)=C(C(=O)Oc2cc(ccc12)OC)c3cnc(OC)nc3OC	8674
+COc1ccc(C(N(OC)C)=O)c(C#CCCCCC)c1	8675
+Cc1nnc(c2ccc(OC)cc12)O	8676
+c1(O)nnc(c2ccc(OC)cc12)-c3cc(F)ccc3	1055
+c1cc(ccc1)CC(=O)c2c(cc(cc2)OC)C#CCCCCC	8677
+COc1ccc(c(C#N)c1)CC(=O)O	4
+Cc1cc(ccc1CC(OC)=O)O	5
+c1ccccc1COc2cc(OC)ccc2CC	22
+COc1ccc(CCSC)c([N+]([O-])=O)c1	965
+COc1cnc(cc1)COC(C)=O	174
+COc1ccc(Cl)c(c1)C(=O)O	820
+COc1cc(c(Cl)cc1)-c2cc(F)ccc2	134
+C(Cl)(=O)c1c(Cl)ccc(OC)c1	82
+C1(N(c2cc(ccc2OC1)C(Cc3c(Cl)ccc(OC)c3)=O)C)=O	214
+n1(ncc2c1nc3ccc(OC)cc3c2Cl)CC	4561
+Nc1ccc(OC)cc1C#N	0
+Nc1c(cc(OC)cc1)C(=O)O	0
+CC(C)(O)c1c(ccc(c1)OC)O	1033
+c1cc(ccc1C)C(=O)c2c(cc(cc2)OC)C	358
+c1(c(N)ccc(OC)c1)C	0
+C1OC(CCC1)OCCc2cc(OC)ccc2Br	219
+n1c(NCc2cc(OC)ccc2Br)c(Cl)cnc1Cl	40
+C1(N(c2cc(ccc2OC1)C(Cc3ccc(OC)cc3Cl)=O)C)=O	214
+[N+](c1cc(ccc1Br)O)([O-])=O	5
+O=[N+](c1c(OC)ccc(Br)c1[N+](=O)[O-])[O-]	31
+c1cc(ccc1)-c2c(cc(OC)cc2)[N+]([O-])=O	11
+c1cc(ccc1)-c2c(cc(OC)cc2)[N+]([O-])=O	750
+C1C(Nc2c1ccc(OC)c2)=O	1089
+COc1ccc(CCO)c([N+]([O-])=O)c1	21
+Nc1cc(OC)ccc1O	0
+c1c(c(F)ccc1O)C(=O)O	5
+COc1cc(OCC2CO2)c(cc1)-c3nnc(cc3)Cl	8
+CCOC(=O)C=Cc1c(cc(Oc2cc(OC)ccc2C)cc1)C	46
+c1(ccc(C=C(C(OCC)=O)CCCNC2CCCc3c2cc(cc3)OC)cc1OC)-n4cc(nc4)C	284
+COc1ccc2N(C(CC(CCO)c2c1)=O)C	21
+COc1ccc2N(C(CC(CC(=O)O)c2c1)=O)C	4
+COc1ccc2N(C(CC(CCNC)c2c1)=O)C	110
+COc1ccc2N(C(CC(CC=O)c2c1)=O)C	24
+c12c(OC(C)C(=O)N1)ccc(O)c2	5
+COc1ccc2CC(Cl)c3c(Sc2c1)ccc(SC)c3	4562
+c1ccccc1C(c2cc3c(cc2OC)C(C(OC)=O)CC3)=O	222
+c1ccccc1CN2CC3C(C(=O)c4ccc(OC)cc34)C2	8678
+FC(F)(F)C(=O)c1c[nH]c2cc(OC)ccc12	531
+[nH]1cc(C#N)c2ccc(OC)cc12	4563
+COc1cccc(-c2nc(ccc2CC(=O)O)Cl)c1	4
+c1cc2c(noc2cc1F)-c3cc(ccc3)O	5
+c1cc(ccc1)N=C(N)c2cccc(OC)c2	1748
+COc1cccc(c1N)C=2NCCN=2	2086
+c1(c(c(ccc1)C(=O)C)Br)O	5
+c1cc(ccc1CC(OCC)C(OCC)=O)OCC(=O)c2cccc(c2)OC	702
+Clc1cc(F)c(C#N)c(C(=O)c2cccc(OC)c2)c1	2227
+c1cc(C(=O)NNC(=O)c2cccc(c2)OC)cc(c1)I	1601
+c1(cc(ccc1)OC)-c2nc3n(ccc(c3)Br)n2	8679
+c1cc(ccc1I)C(=O)NNC(=O)c2cc(ccc2)OC	1601
+COc1cccc(C(=O)C)c1Br	1024
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+O=S(=O)(c1cc(c(cc1)Cl)C)N(c2cc(Cl)cnc2C(c3c(cccc3OC)C)=O)COC	4564
+COc1cccc(c1)C(C)(CNC)O	122
+c1c(c(c(cc1)OC)F)CN	817
+Cc1cc(C(c2cc(OCc3cccc(c3)OC)ccc2)=C)ccc1OC	22
+COc1cccc(c1)CCCO	21
+COc1cccc(CCC(N)=O)c1	83
+C(CN)Cc1cc(ccc1)OC	15
+COc1cc2CCN=C(C)c2cc1	1120
+FC(F)(F)c1c(cccc1)S(=O)(=O)Nc2c(nccn2)-c3ccc(cc3)COCc4cc(ccc4)OC	555
+COc1c(CC#N)c(Cl)ccc1	163
+O=S(=O)(Cl)c1c(c(c(OC)cc1)Cl)Cl	243
+COc1c2c(ccc1)[nH]nc2N	575
+c1cc(cc(-n2ncc3c2cccc3)c1)OC	2993
+c1(ccc(NC(C)=O)cc1OC)C(=O)C	94
+c1c(cccc1OCc2c(ccc(Cl)c2)Br)OC	22
+FC(F)(F)C(=O)N1CCc2cc(ccc2CC1)COc3cccc(OC)c3	139
+c1c(cccc1OC)Oc2cc(c(F)cc2[N+]([O-])=O)Br	46
+c1c(cccc1OC)Oc2ccccc2[N+]([O-])=O	415
+c1ccccc1CN2CC3=C(CC2)c4c(cc(cc4)OC)OC3=O	3607
+c1c(cccc1OCC2Cc3c(CC2)cc(cc3)C4CCC5(COC(N5)=O)C4)OC	267
+FC(F)Oc1ncc(CN2C(CCCC2c3c(cccc3OC)OC)=O)cc1Cl	8680
+COc1cccc(OC)c1COc2cccc(CC(O)=O)c2	3
+S(c1cc(ccc1)O)C	5
+COc1cccc([N+]([O-])=O)c1CC#N	163
+c1c(cc(cc1)O)C#CCCCCCC	5
+COc1cccc(C2(C)OC2)c1	4565
+c1c(-c2cc(ccc2)OC)[nH]nc1N	1941
+[N-]=[N+]=NCCN1C(=O)C(CC)(c2cc(ccc2)OC)CCCC1	600
+c1cc(ccc1S(=O)(=O)C[N+]#CC2C(CCCC2)Cc3cccc(OC)c3)C	1141
+COc1cccc(c1)CCCC#N	1409
+COc1cccc(c1)CCCI	343
+FC(F)(F)C(N1CCC(CC1)C(=O)NCCc2cc(OC)ccc2)=O	68
+FC(F)(F)C(NCCc1cccc(c1)OC)=O	659
+COc1cccc(CCNC(C)=O)c1	68
+c1cc(ccc1)C(=O)NCCc2cccc(c2)OC	93
+c1c(cc(cc1)OC)CCNC(c2cc(cc(c2)-c3ccccc3OC)-n4nnnc4)=O	14
+c1cc(ccc1)C(CCc2cccc(OC)c2)O	758
+C(c1cc(ccc1)OC)OCCO	555
+c1cc(ccc1OCc2cccc(OC)c2)Cc3noc(c3)-c4ccc(N)nc4N	139
+c1cc(ccc1)OCc2nc3c(cccc3)n2Cc4cc(ccc4)OC	1947
+c1cc(ccc1)N(c2ccccc2)C(CNC(Nc3cccc(c3)OC)=O)=O	1631
+c1c(OC)ccc2c(-c3cnccc3)csc12	8681
+COc1cccc(C(N(OC)C)=O)c1Br	280
+c1c(c(c(cc1)OC)C)CC[N+](=O)[O-]	364
+FC(F)(F)c1oc2cccc(c2n1)OC	8682
+c1cc(ccc1F)OC2CCN(CC2)CCCn3cc(c4cccc(OC)c34)C(C)=O	53
+COc1c2c(ccc1[N+]([O-])=O)CC(CCC2)=O	31
+c12c(c(ccc1)OC)nccc2Cl	120
+c1c(OC)c2c(c(c1)C=O)cc(C)o2	3809
+c1cc(ccc1)CN(CC)C(C2c3c4c(cccc4OC)n(CCF)c3CCC2)=O	58
+c12cccc(c1nc(C)s2)O	390
+c1ccc(O)c2cnsc12	5
+[n+]1(c(C)ccc(OC)c1)[O-]	341
+COc1cnc(cc1)Nc2ccn(C)n2	834
+COc1cnc2ccc(F)c(c2n1)CC#N	1689
+c1cc(ccc1C)S(=O)(=O)OCCc2cccc(n2)OC	36
+COc1nc(ccc1)CCl	515
+FC(F)(F)c1cccc(-c2cc(C)c(C(OC)=O)c(OC)n2)c1	140
+c1cc(ccc1Cc2cc(-c3cccnc3N)on2)OCc4nc(OC)ccc4	412
+c1c(F)nc(c(F)c1)O	104
+n1c(SC)nc(Cl)c(c1OC)I	1154
+c1cc(ccc1I)Oc2nc(OC)cc(n2)OC	893
+c1(OC)nc(nc(OC)n1)Oc2c(c(Cl)ccc2)C(=O)Oc3ccc(cc3)[N+](=O)[O-]	852
+c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O	61
+COc1nc2c(-c3ccc(CC#N)cn3)ccnc2cc1	1689
+COc1nc2c(-c3ccc(CCN)cn3)ccnc2cc1	51
+COc1nc2c(-c3ccc(CCNCc4ccc5c(n4)NC(=O)CS5)cn3)ccnc2cc1	294
+Oc1nc2c(C(NCC2)=O)cc1	104
+C1CCCOC1CCn2c(OC)nc3c2nc(nc3N)NCCCC	8683
+c12cc(-c3cnccc3)ccc1nc(O)cc2	104
+FC(F)(F)C(NCC1CCCN(C1)CCc2c3nc(ccc3ncc2)OC)=O	4566
+c1(ccc2c(n1)NC(=O)CS2)CN(C(=O)C3OCCN(CCc4ccnc5c4nc(OC)cc5)C3)C	4566
+COc1nc2c(nccc2CCN3CCOC(C3)CNCc4ccc5c(n4)NC(=O)CS5)cc1	294
+O(C)c1nccc(C(=O)NN)c1	296
+n1ccc(cc1O)NC(c2cc(ccc2F)F)=O	104
+C(c1ccc(-c2cc(nn2-c3nnc(OC)cc3)C(=O)N(C)CC)nc1)N	388
+COc1nnc(-n2nc(cc2-c3ccc(cn3)C#N)C(=O)O)cc1	1
+c1(-c2cn3c(n2)ccc(OC)n3)cc([N+]([O-])=O)c(C)cc1	1749
+O=S(=O)(c1cc(c2c(c1)OC(CO2)CO)F)C	4567
+O=S(=O)(c1cc2OC(COc2cc1)CO)C	4567
+C[Si](C)(C)c1ccc(cc1)C(C(=O)c2cc(ccc2)Br)=O	4568
+C[Si](C)(C)c1cc(C(C(=O)c2cc(ccc2)Br)=O)ccc1	4568
+FC(F)(F)C1(CC(C)(C)c2c(C=O)cccc2)OC1	2492
+O=Cc1ccc(cc1F)-c2cc(ccc2)OC	2492
+c1cc(ccc1)-c2c(CN)c(nc3ccc(C(=O)N)cc23)CC(C)C	8684
+c1cc(ccc1OCC2(OC2)c3ccc(Br)s3)Cl	8685
+c1ccccc1CCOCCCN2CCC3(CC2)CO3	1626
+FC(F)(F)c1cccc(-c2nc3ccc(S(=O)(=O)C)cc3c(c2C)C(=O)OC)c1	2994
+O=S(=O)(C)c1ccc(c(Cl)c1)C=O	2964
+O=S(=O)(c1c(cc(cc1)[N+]([O-])=O)F)C	2964
+O=S(=O)(c1ccc(c(C=O)c1)O)C	2994
+O=S(=O)(c1ccc2c(c1)C(=O)N(C(CC)=N2)C)C	2994
+c1cc(ccc1-n2ncc(c2C)C(=O)NC(c3cncc(c3)S(=O)(=O)C)CCC)Cl	8686
+O=S(=O)(c1c(c(ccc1)-c2ccncc2)-c3ccc(cc3)OCc4ccccc4)C	8687
+c1(c(N)c(cc(c1F)F)Br)CSC	4569
+c1c(c(N)c(cc1F)CSC)F	4569
+C1CC1(C2(CCc3ccc(cc3)Cl)OC2)Sc4ccccc4	8688
+Clc1cc(NC(SC)=C(C(N)=O)C#N)ccc1	8689
+C(SC)CNCCSC	15
+FC(F)(F)c1cc(c(c(OC)c1)C(O)=O)SC	1884
+S(C)c1cc(ccc1Br)F	2869
+S(c1cc(ccc1C)F)C	1850
+c1(cc2ccc(cc2cc1)SC)OC	1850
+c1c(c(c(cc1F)Br)SC)F	2869
+c1c2c(ccc1)cc(SC)c(c2)OC	1884
+c1ccccc1COc2c(c(cc(C=O)c2)SC)O	1850
+c12cc(SC)ccc1nc[nH]2	631
+c1(c(C#N)c(S(=O)C)nc(n1)N)SC	1056
+CC(c1c(nc2c(c1)cc(Cl)c(OC)c2)OC)O	8690
+CC(C)(c1cc(F)c(cc1)C#N)O	2929
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(=O)C	2830
+c1cc(ccc1C(c2ccc(cc2)Cl)N3CC(C3)C(C(C)O)c4cc(F)cc(c4)F)Cl	8691
+c1cc(ccc1C(c2ccc(cc2)Cl)N3CC(C3)C(C(C)(C)O)c4cc(F)cc(c4)F)Cl	8692
+c1cc(ccc1F)C2C(c3ccc(cc3)I)Oc4c(C2(O)C)ccc(c4)OC5CCCCO5	2929
+c1cc(ccc1OC)CN2CC(CC2=O)C(C)=O	2830
+N1(C(=O)N(c2ccc(C)cc12)Cc3c4c(C)cccc4n(c3)C)C(CCC)CC(OCC)=O	8693
+Clc1cc(Br)cc(Oc2c(Cl)ccc(N)c2[N+]([O-])=O)c1	8694
+Cc1n(nc2ccc(cc12)Br)C	2369
+[N+](c1cc(Br)c2nn(C)cc2c1)([O-])=O	2369
+CP(C)(c1cc(c(cc1)OC)N)=O	4570
+c1cc(ccc1P(C)(C)=O)Br	4570
+FC(F)(C1(CO1)c2c(cc(cc2)F)F)c3ncc(Br)cc3	4565
+c1cc(F)c(cc1C2C(C2)C(OCC)=O)Br	8695
+c1c(F)c(c(cc1[N+](=O)[O-])F)N2CCC3(CC2)OC3	2113
+c1cc(ccc1)CN2CCC3(CC2)CO3	2113
+c1cc(ccc1C2C(C(N(OC)C)=O)C2)Cl	3252
+c1c(cc(cc1)Br)C2(c3cccc(c3)Br)OC2	8696
+c1cc(ccc1C2CO2)C	8697
+Clc1cc(cc(Cl)c1-n2cc3c(n2)c(cnc3Br)F)[N+]([O-])=O	8698
+c1c(Cl)c(c(cc1C)Cl)OCCOc2ccc(cc2)CBr	8699
+C[Si](C)(C)CCOCn1c(-c2c(C#C[Si](C)(C)C)cnc(n2)N)cc(C(OCC)=O)c1-c3cc(Cl)ccc3C	2995
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2c(F)c(c(cc2)Cl)Oc3cc(cc(C#C[Si](C)(C)C)c3)Cl)=O)Cl	263
+C[Si](C)(C)CCOCn1c2ccc(C#C[Si](C)(C)C)cc2cn1	263
+C[Si](C)(C)C#Cc1cc(c(nc1)SC)Cl	683
+C[Si](C)(C)C#Cc1cc(OC(C)c2c(ccc(F)c2Cl)Cl)c(nc1)N	683
+C[Si](C)(C)C#Cc1cnc(C(F)(F)C2(CO2)c3c(cc(cc3)F)F)cc1	683
+C[Si](C)(C)C#Cc1ccc2c3c(c(cnc3NC(C(F)(F)F)C4CC4)C(=O)N)[nH]c2c1	8700
+C[Si](C)(C)C#Cc1cn(nc1)CC(F)(F)F	8701
+C[Si](C)(C)C#Cc1c(C)cc(cc1)C(CC)(CC)c2cc(C)c(C(OC)=O)cc2	2823
+FC(F)(F)c1c(C#N)ccc(c1C#C[Si](C)(C)C)F	311
+FC(F)(F)c1cc(c(C#C[Si](C)(C)C)c(Br)c1)N	311
+C[Si](C)(C)C#Cc1cc(C)c(OC(F)F)cc1	263
+C[Si](C)(C)C#Cc1cc(OCc2c(F)cccc2F)c3nc(C)c(C(=O)OCC)n3c1	683
+C[Si](C)(C)C#Cc1c(cccc1)NC(=O)N	311
+C[Si](C)(C)C#Cc1cc(nc(c1O)Cl)CO	8702
+C[Si](C)(C)C#Cc1c(C#N)ncc(Cl)c1	683
+C[Si](C)(C)C#Cc1c(nccc1)N	683
+C[Si](C)(C)C#Cc1c(C)c(C#N)c(N)nc1	1042
+C[Si](C)(C)C#Cc1c(N)c(C(=O)OC)c2c(c1)cn[nH]2	263
+C[Si](C)(C)C#Cc1c(N)ccc(n1)C	961
+C[Si](C)(C)C#Cc1cc(cnc1N)Cl	1042
+C[Si](C)(C)C#Cc1c(nccc1)N	1042
+C[Si](C)(C)C#Cc1ccccc1CC(OC)=O	311
+C[Si](C)(C)C#Cc1cc(Nc2ncc(c(Nc3ccccc3S(=O)(=O)C(C)C)n2)C)c(OC(C)C)cc1C	263
+C[Si](C)(C)C#Cc1ccc(S(=O)(=O)NC(C(=O)O)Cc2c[nH]c3c2cccc3)s1	8703
+C[Si](C)(C)c1cn(-c2cc(OCC(=O)O)ccc2)nn1	8704
+C[Si](C)(C)C#Cc1c(C(CC)C(=O)N)cccc1	311
+C[Si](C)(C)C#Cc1cc(c(cc1N)F)Br	311
+C[Si](C)(C)C#Cc1ccc(cc1F)N2CC(Cn3nnc(C)c3)OC2=O	311
+C[Si](C)(C)C#Cc1c(nc(Nc2cccc(F)c2)nc1)NCCC	2995
+C[Si](C)(C)C#Cc1c(N)nc(-c2ccco2)c(c1)-c3ncncc3	683
+C[Si](C)(C)C#Cc1c(nc(N)cc1)N	1042
+C[Si](C)(C)C#Cc1c(Cl)c(ccc1F)C#N	311
+C[Si](C)(C)C#Cc1cc2ccc(cc2cc1)O	263
+C[Si](C)(C)C#Cc1cncc(C#N)c1	683
+C[Si](C)(C)C#Cc1cnc2c(c(Nc3c(F)cc(cc3)C)c(cn12)C(=O)OC)F	4571
+C[Si](C)(C)C#Cc1cc(C)c(c(c1)C)OCc2ccccc2	263
+C[Si](C)(C)C#Cc1ccc(C)cn1	961
+C[Si](C)(C)C#Cc1cc(c(cc1)Nc2c(cnc(c2)O)C(=O)NCCO)F	311
+C1(=O)N2CCCC2=C(C(NOCCO)=O)C(=C1F)Nc3c(cc(cc3)C#C)F	2228
+C[Si](C)(C)C#Cc1cn2c(nc(C(=O)OCC)c2)cc1	1042
+C[Si](C)(C)C#Cc1nc(C#N)c(N)cc1	8705
+C[Si](C)(C)C#Cc1cc(CCCC#N)c(F)cc1	263
+C[Si](C)(C)C#Cc1cc(NNC(OC)=O)c(cc1)Cl	263
+C[Si](C)(C)C#Cc1ccc(F)cc1CC(N)=O	263
+C[Si](C)(C)C#Cc1ccc(Br)nc1	1042
+C[Si](C)(C)C#Cc1ccc(c(c1)CNC(OC)=O)Cl	311
+C[Si](C)(C)C#Cc1ccc(cc1)-c2ccnn2-c3ccncc3	263
+C[Si](C)(C)C#Cc1ccc(cc1)OCCN(CC)CC	263
+C[Si](C)(C)C#Cc1ccc(cc1)C(OCC)=O	263
+C[Si](C)(C)C#Cc1ccc(cc1)C(C)C(NCC)=O	311
+C[Si](C)(C)C#Cc1ccc(cc1)CN(C)C	311
+C[Si](C)(C)C#Cc1ccc(cc1)CO	263
+C[Si](C)(C)C#Cc1cnc2n1cc(cc2C)-c3ccc(cc3)Cl	4571
+c1cc(ccc1F)-n2ccc3c2ccc(C#C)c3	1800
+C[Si](C)(C)C#Cc1ccc(cc1)CCC(=O)OC	311
+C[Si](C)(C)C#Cc1ccc(cc1)N2C(N=C(c3c(F)cccc3Cl)N2)=O	8706
+C[Si](C)(C)C#Cc1ccc(cc1)OC2OCCCC2	311
+C[Si](C)(C)C#Cc1ccc(N)nc1	683
+C[Si](C)(C)C#Cc1cc2C(c3cc(ccc3-c2cc1)C#N)=O	263
+C[Si](C)(C)C#Cc1c(cccc1)C(C(=O)N)C	311
+c1ccccc1C(c2ccccc2)(c3ccc(cc3)OC)OCC4C(O)CC(N5C=C(C#C[Si](C)(C)C)C(NC5=O)=O)O4	3589
+C[Si](C)(C)C#Cc1c(CC)ncnc1NC2CCC(CC2)c3ccccc3	2995
+c1ccccc1CNC(=O)c2c(C)nc(s2)C#C	4482
+C[Si](C)(C)C#Cc1cc(c(OCc2ccccc2)nn1)OCc3ccccc3	8707
+C[Si](C)(C)C#Cc1c(ncc(c1)C(=O)N=S(c2ccccc2)(C)=O)N	1042
+C[Si](C)(C)C#Cc1cncc(C(N=S(c2ccccc2)(=O)C)=O)c1	683
+C[Si](C)(C)C#Cc1cnc(nc1)N2CC(NCc3c(Cl)cc(cc3)Cl)CC2	8708
+FC(F)(F)C(O)(C#C)CC	1407
+CN(C)c1ccc(cc1)C(C#C)O	1407
+c1cc(ccc1)C#Cc2ccccc2C(C#C)OC	1407
+c1cc(ccc1-n2nnnc2)CC(=O)N3CCC(CC3)(C#C)O	1407
+C[Si](C)(C)C#CC1(CCN(CC1)C(=O)Cc2ccc(cc2)-n3nnnc3)O	731
+C1(NC=C(C(N1)=O)C#C)=O	4572
+C[Si](C)(C)c1c(C2CCCCC2)c3c(ncc(c3)C(OC)=O)[nH]1	8709
+C[Si](C)(C)C#CCCCCC(=O)c1ncc(-c2ncccc2)o1	8710
+c1(cnc(C(CCCCC#C)=O)o1)-c2ncccc2	1407
+C[Si](C)(C)C#CCCNC(c1cccc(c1)Cc2cc(F)ccc2)=O	14
+C[Si](C)(C)C#CCCN	18
+C[Si](C)(C)c1[nH]c2c(cc(Cl)cc2c1CCNC(c3cc(ccc3)Cc4cc(F)ccc4)=O)Cl	4238
+C(C(c1ccccc1C#C)C)(=O)OC	75
+NC(C(c1c(cccc1)C#C)CC)=O	75
+C#Cc1c(c(C#N)c(N)nc1)C	75
+C(C)C(CC)(c1ccc(C(OC)=O)c(C)c1)c2cc(c(cc2)C#C)C	75
+c1(c(C#C)ccnc1)C	75
+c1ccccc1C2CCC(CC2)Nc3c(c(ncn3)CC)C#C	75
+C(C(n1ccc2c(c(ccc12)C#N)Cl)C)SC	4573
+C1C(CN1Cc2cc(F)c(cc2)C#C)C(OC)=O	75
+C#Cc1c(N)c(c2n[nH]cc2c1)C(=O)OC	75
+Nc1c(nc(C)cc1)C#C	75
+CC(C)N1C(=O)C=CC(=N1)c2nc(C#C)c(nc2-c3ccccc3)N	75
+C(C)N(CC)N=Nc1c(C#C)c(cc(C(OC)=O)c1-c2cc(ccc2)F)Cl	75
+CC(C)c1c(cc(c(c1)OC)C#C)Oc2cnc(nc2N)N	75
+C(=O)(C(c1ccccc1C#C)C)N	75
+c1c(c(C#C)ccc1)NC(=O)N	75
+C(#C)c1c(nc(cc1)N)N	75
+C(#C)c1cnc(nc1NCCC)Nc2cccc(c2)F	75
+c1ccccc1S(C)(=NC(=O)c2cnc(c(C#C)c2)N)=O	75
+C#Cc1cccnc1N	75
+c1ccccc1-c2c3c(C#C)nc(c(O)c3on2)C(OCC)=O	75
+N1(c2ccc(F)cc2F)C=C(C(=O)OCC)C(=O)c3cc(c(F)c(C#C)c13)F	75
+CCN(CC)C1CN(CC1)C(c2[nH]nc(-c3cc(ccc3)C#C)c2C)=O	75
+c1c2c(ccc1)CC(C2)Nc3nc4CCN(C(c5cncc(c5)C#C)=O)Cc4cn3	75
+CC(C)(C)OC(c1cc(C#C)ccc1)=O	75
+CC(C)(C)c1c(C2(CC2)OCC)ccc(c1)C#C	75
+FC(F)Oc1ccc(C#C)cc1C	75
+c1c(C)c(c(cc1C#C)C)OCc2ccccc2	75
+C1CC1c2cc(cc3C(C)(C)CC(C)(C)Oc23)C#C	75
+c1c(CCCC#N)c(F)ccc1C#C	75
+c1(Cl)ccc(cc1NNC(OC)=O)C#C	75
+CC(C)Oc1cc(c(C#C)cc1Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c(C)cn2)C	75
+CC1(C)c2cc(C#C)cc(c2C(=O)CC1)OC(C)C	75
+c1c(c(ncc1C#C)N)OC(C)c2c(Cl)ccc(F)c2Cl	75
+Fc1cccc(F)c1COc2c3n(c(C(=O)OCC)c(n3)C)cc(C#C)c2	75
+C1CC1N(C)Cc2c(C(=O)OC(C)C)ccc(c2)C#C	75
+C1C(C)OC(CN1c2c(c(c(cc2C=O)C#C)F)F)C	75
+CC(C)Oc1c(cc(cc1)C#C)C(OC)=O	75
+c1ccccc1COc2cc(C#C)nnc2OCc3ccccc3	75
+CC(C)(C)OC(Nc1c(cc(C#C)cc1)[N+](=O)[O-])=O	75
+C(NCCO)(c1c(Nc2c(cc(cc2)C#C)F)cc(O)nc1)=O	75
+c1(F)c(cc2cc[nH]c2c1)Br	4574
+C#Cc1cc(Cl)c(SC)nc1	75
+C1CC1c2c3OC4(CC4)CC(C)(C)c3cc(c2)C#C	75
+C[Si](C)(C)C#Cc1cc(cc(Cl)c1)S(=O)(=O)N(c2cc3c4ccccc4n(CC)c3cc2)CC(=O)O	32
+O=S(=O)(N(CC(=O)O)c1cc2c3ccccc3n(CC)c2cc1)c4cc(Cl)cc(C#C)c4	75
+C(OCOc1cccc(c1)C#C)COC	75
+C#Cc1cc(Cl)cnc1N	75
+CC1(C)CC(C)(C)c2c(O1)c(cc(c2)C#C)C=O	75
+CC1(C)c2cc(cc(O)c2C(=O)CC1)C#C	75
+C(#C)c1cc2C(c3c(ccc(C#N)c3)-c2cc1)=O	75
+CN(C)C(c1nn(-c2ccnc(N)n2)c3cc(ccc13)C#C)=O	75
+C1CN(CCC1Cn2c3c(cc(cc3)C#C)cc2)C(CCc4ccccc4)=O	75
+C[Si](C)(C)C#Cc1ncc2ncc(C#N)c(c2c1)Cl	120
+c1(cc(Nc2c3cc(ncc3ncc2C#N)C#C)ccc1)Br	75
+c1c2c(cc(C#C)c1)ccc(c2)O	75
+c1nc(ccc1C)C#C	75
+c1cc(cnc1Cl)C#C	75
+C(#C)c1ccc(cc1CC(N)=O)F	75
+n1c(ccc(c1)C#C)N	75
+C12CCCC1N(C)C(=O)N2c3ccc(C#Cc4cccc(c4)F)cn3	2228
+O=S(=O)(NC(C(=O)O)Cc1c[nH]c2c1cccc2)c3ccc(s3)C#C	75
+c1c(c(Cl)ccc1C#C)CNC(OC)=O	75
+c1cc(ccc1C#C)-c2ccnn2-c3ccncc3	75
+c1cc(ccc1C#C)C(C)C(NCC)=O	75
+c1cc(ccc1C#C)C(OCC)=O	75
+c1cc(ccc1)CNC2(CC2)c3ccc(cc3)C#C	75
+N#CC(C#N)=C1C(C#N)=C(c2ccc(cc2)C#C)C(C)(C)O1	75
+c1cc(ccc1CCC(=O)OC)C#C	75
+c1cc(ccc1C#C)CN(C)C	75
+c1cc(ccc1C#C)CO	75
+c1cc(ccc1N(CC)CC)C#C	75
+C(CCC)N(CCCC)c1ccc(cc1)C#C	75
+c1cc(ccc1N2C(N=C(c3c(F)cccc3Cl)N2)=O)C#C	75
+c1cc(ccc1C#C)OC2OCCCC2	75
+c1cc(ccc1C#C)OCCCCCC	75
+c1cc(ccc1C#C)OCCN(CC)CC	75
+c1cc(ccc1OCCN2CCCC2)C#C	75
+c1cc(ccc1C#C)OCCO	75
+C[Si](C)(C)c1ccc(cc1)C#C	75
+c1(N2CC(OC2=O)Cn3cc(C)nn3)ccc(C#C)c(F)c1	75
+C1CC1COc2ccc(nc2)C#C	75
+CC1(C)CN(c2ccc(C#Cc3cc(cnc3)F)cn2)C(C1)=O	8711
+C1CC1CNc2ncc(cc2)C#C	75
+CC1(C)c2c(ccc(C#C)c2)OC(C1)=O	75
+FC(F)(F)C(Nc1ncc(c2[nH]c3c(ccc(C#C)c3)c12)C(=O)N)C4CC4	75
+FC(F)(F)c1c2nn(c(-c3cc(ccc3)C#C)c2ccc1)Cc4c(cc(cc4F)F)F	75
+C[Si](C)(C)C#Cc1cccc(c1)-c2c(nccc2)F	305
+c1c(cccc1C#N)C#C	75
+CC(C)OC(c1cccc(C#C)c1)=O	75
+CCOC(=O)c1cccc(c1)C#C	75
+c1ccc(-c2cccnc2F)cc1C#C	75
+C[Si](C)(C)c1[nH]c2c(cc(Cl)cc2c1-c3ccccc3)[N+](=O)[O-]	8712
+C1CC1(C(=O)N)c2ccccc2C#C	75
+c1(ccccc1CC(OC)=O)C#C	75
+C(#Cc1ccccc1N)c2c(OC)cc(c(c2)C=O)OC	2228
+FC(F)(F)Cn1ncc(C#C)c1	75
+C(C)OC(c1nc2n(c1)cc(cc2)C#C)=O	75
+CC(C)(C)OC(N1CCN(CC1)c2ccc(C#C)cn2)=O	75
+C1c2c(CC1Nc3nc4CCN(C(=O)c5ncc(cc5)C#C)Cc4cn3)cccc2	75
+n1cc(cnc1N2CC(NCc3c(Cl)cc(cc3)Cl)CC2)C#C	75
+c1c(C(=O)OC)c(c(c2n1c(C#C)cn2)F)Nc3c(F)cc(C)cc3	75
+n1cc(cc(C#N)c1)C#C	75
+c1c(C=O)c(ccc1C#Cc2cc(C#N)cnc2)F	2228
+c1ccccc1S(=O)(C)=NC(=O)c2cncc(c2)C#C	75
+C(#C)c1c2n(cc(-c3cnn(C)c3)cc2OC)nc1	75
+C#Cc1n2c(cccn2)nc1	75
+n1c(c(N)ccc1C#C)C#N	75
+C1CCN(C1)c2nc(ccc2)C#C	75
+O(CC)C(OCC)c1cnc(C#C)cc1	75
+CC(C)(O)c1cnc(cc1)C#C	75
+C[Si](C)(C)C#Cc1cc2c(ncc(c2Nc3cccc(Br)c3)C#N)cn1	179
+C1CCCN1c2nc(C#C)nn2C	75
+C1(=CC(=C([N+](C1=C=[N-])=O)Cl)C(=O)OC)Cl	8713
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2C(c3ccc(cc3)F)C=4C=CC(=C=[N-])[N+](C=4CC2)=O)C	8714
+FC(F)(F)C1=CC(=C=[N-])[N+](C(Cl)=C1)=O	8715
+c1(Nc2cc(Cl)c(F)cc2)c(oc3c1ccnc3CCC)N	8716
+O(CC)P(OCC)(=O)CC=1C=C[N+](=O)C(=C=[N-])C=1	1269
+CCOP(OCC)(CC=1c2ccccc2[N+](C(=C=[N-])C=1)=O)=O	8717
+C1(C=CC=C([N+]1=O)COC2CCOC2)=C=[N-]	1649
+O1CCc2c3n(ncc3CC#N)ccc12	8718
+c1c(cc(Br)cn1)NC(c2c(cccc2)Cl)C#N	4575
+O=S(=O)(c1cc2CCC=C(c2cc1)C#N)c3ccccc3	4576
+[N-]=[N+]=NCC1=CC=C(C)[N+](=O)C1=C=[N-]	8719
+c1c(F)c(ccc1F)C(Cn2ncnc2)(C(C)C3=C[N+](=O)C(C=C3)=C=[N-])O	8720
+c1c(F)c(ccc1F)C(Cn2ncnc2)(O)C(C)C=3[N+](=O)C(C=CC=3)=C=[N-]	1649
+c1cc(ccc1)CN2CCC(CC2)(Nc3cc(C)ccc3)C#N	1345
+c1c(OC)c(cc(C2=C(C=CC([N+]2=O)=C=[N-])C)c1)F	8721
+c1c(F)c(ccc1F)C(Cn2ncnc2)(C(C)C=3C=C[N+](=O)C(C=3)=C=[N-])O	1269
+C1(C=C(C=C[N+]1=O)CCC)=C=[N-]	1269
+c1cc(ccc1)C2Cc3c(c(OC)ccc3C(C#N)=C2)OC	4576
+c1ccccc1C2CC(c3ccc(OC)c(OC)c3C2)(O)CN	4577
+c1cc(ccc1Cl)NC2(CCN(CC2)Cc3ccccc3)C#N	1345
+c1cc(ccc1)CN2CCC(CC2)(Nc3ccc(cc3)F)C#N	1345
+c1cc(ccc1-c2onc3-c4c(CCc23)cc(cc4)C(O)C#N)CCC	8722
+c1cc(ccc1Cl)C(C#N)Nc2ccc(cc2)Br	8723
+c1cc(ccc1F)C(N2C(C#N)C=Cc3c2cccc3)=O	8724
+c1cc(ccc1C)C(Nc2cc(Br)cnc2)C#N	4575
+c1cc(ccc1Cl)CC=2[N+](=O)C(=C=[N-])C=CC=2	1649
+O=S(=O)(c1ccc(cc1)NC(c2cc(C)cc(C)c2)C#N)N	8725
+c1cc(ccc1)C2Cc3c(OC)cccc3C(CN)(C2)O	4577
+FC(F)(F)c1ccc2N(C(=O)OCC)C(CC)CN(c2c1)C(c3nn(C)nn3)c4cc(Cl)c(cc4)Cl	8726
+FC(F)(F)c1ccc(cc1)CC(C=[N+]=[N-])=O	1945
+c1cc(ccc1CC(C=[N+]=[N-])=O)I	1945
+C[Si](C)(C)CC(C(O)=O)NC(c1cc(ccc1)I)=O	3
+C[Si](C)(C)CC(C(=O)NC1(CC1)C#N)NC(c2cccc(-c3cccc(C#N)c3)c2)=O	134
+C[Si](C)(C)CC=CCC(O)CCc1ccccc1	8727
+C[Si](C)(C)CCOC(C(CC)c1c(I)cccc1)=O	27
+C[Si](C)(C)CCOC(=O)c1cccc(S(=O)(=O)Cl)c1	279
+C[Si](C)(C)CCOC(C(Cc1c2c(c(cc1)[N+](=O)[O-])cccc2)NC(OC)=O)=O	27
+C[Si](C)(C)CCOC(=O)C(NC(OC)=O)Cc1c2ccccc2c(Nc3c(C(O)=O)cccc3)cc1	8728
+FC(F)(F)c1cccc(N2C(N)=C(C(N)=O)C(C(C(OCC[Si](C)(C)C)=O)=C2C)c3ccc(cc3)C#N)c1	8729
+C[Si](C)(C)CCOC(=O)C=C(C)Nc1cccc(c1)C(F)(F)F	3497
+C[Si](C)(C)CCOC(=O)N1CC(=O)CC1C(=O)OC	86
+C[Si](C)(C)CCOC(=O)N1CC(c2cc3cc(C=C)ccc3cc2)(CC1C(OC)=O)O	251
+O=S(=O)(N(C1CCC(CC1)C(=O)OC)C(C)C)c2cc(ccc2)C(=O)O	8730
+C[Si](C)(C)CCOC(=O)C(c1c(CCC(=O)c2cccc(C=Cc3nc4c(ccc(Cl)c4)cc3)c2)cccc1)CC	4578
+C[Si](C)(C)CCOC(=O)C(Cc1ccc(N)c2ccccc12)NC(OC)=O	0
+C[Si](C)(C)CCOC(N1CC(C(CC1)c2ccc(cc2)F)OCc3cc4c(cccc4)c(OCOCC[Si](C)(C)C)c3)=O	66
+C[Si](C)(C)CCOCn1cc(c2c1ncc(Br)n2)C(NCC(C)(C)COCOCC[Si](C)(C)C)=O	433
+C[Si](C)(C)CCOCn1c(nc2ccccc12)Cl	1544
+C[Si](C)(C)CCOCOc1ccc(C#N)c(c1)Cl	175
+C[Si](C)(C)CCOCn1c(-c2cc(Cl)ccc2C)c(cc1-c3ccnc(n3)N)C(OCC)=O	2481
+C[Si](C)(C)CCOCn1cc(nc1-c2ncc(Br)cc2Cl)C(F)(F)F	1073
+FC(F)(F)c1cn(COCC[Si](C)(C)C)cn1	1073
+C[Si](C)(C)CCOCn1cnc2c(ncnc12)I	8731
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)I	1750
+C[Si](C)(C)CCOCn1ccc(-c2nc3ccc(c(c3cc2)N)Cl)n1	1428
+C[Si](C)(C)CCOCOc1c(OC)cc(Br)cc1C=O	175
+C[Si](C)(C)CCOCn1ccc2c(Cl)nc(nc12)Cl	1750
+C[Si](C)(C)CCOCn1cc(c2c(nc(nc12)Cl)Cl)I	1750
+C[Si](C)(C)CCOCn1cc(c2c1nc(Cl)nc2Cl)F	1750
+C[Si](C)(C)CCOCn1nc(I)c2cc(C=O)ccc12	1433
+C[Si](C)(C)CCOCn1c2ccc(cc2c(n1)C(=O)N(OC)C)[N+](=O)[O-]	1433
+C[Si](C)(C)CCOCn1ncc2c1ccc([N+]([O-])=O)c2	1433
+C[Si](C)(C)CCOCn1cc(nc1)C(=O)OC	1073
+C[Si](C)(C)CCOCn1cc(C(OCC)=O)c2c(ncnc12)-c3cc(ccc3)[N+]([O-])=O	1750
+C[Si](C)(C)CCOCn1c(Br)nc(Br)c1Br	1073
+C[Si](C)(C)CCOCn1cnc2cc(Br)ccc12	1544
+C[Si](C)(C)CCOCn1nnc2cnc(Cl)cc12	8732
+C[Si](C)(C)CCOCn1nc(c2c1ccc(c2)Br)C=O	1433
+C[Si](C)(C)CCOCn1c2c(cc(C#N)nc2)c3cc(Br)cnc13	4579
+C[Si](C)(C)CCOCn1c2cnc(Cl)c(c2c3cccnc13)F	4579
+C[Si](C)(C)CCOCOc1c(Br)cc(cc1)CC(O)C(OC)=O	175
+C[Si](C)(C)CCOCn1ncc2cc(ccc12)Br	1433
+C[Si](C)(C)CCOCn1c2ccc(Br)cc2cc1	3374
+C[Si](C)(C)CCOCn1nc(c2c1-c3c(scc3)C2)-c4ccc(cc4)Br	1428
+C[Si](C)(C)CCOCOc1ccc(cc1)C#N	175
+C[Si](C)(C)CCOCn1nc(-c2ccc(cc2)OC)c3Cc4sc(cc4-c13)Br	1428
+C[Si](C)(C)CCOCn1c(C(c2ccc(cc2)[N+](=O)[O-])=O)ccc1	2481
+C[Si](C)(C)CCOCn1cc(c(-c2cc(C#N)ccc2)n1)-c3ccncc3	1428
+c1ccccc1CN(Cc2ccccc2)C3CC(c4cnc5n4c6c(n(cc6)COCC[Si](C)(C)C)nc5)C(C)C3	8733
+c1ccccc1CN(Cc2ccccc2)CC(c3cc(NC=O)c(OCOCC[Si](C)(C)C)cc3)O	175
+C[Si](C)(C)CCOCn1nc(I)c2cc([N+](=O)[O-])ccc12	1433
+C[Si](C)(C)CCOCn1nccc1	1428
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2nccc2nc(C(C)=NO)c1	1213
+C1COCCN1Cc2cc(n3ncc(-c4cnc5ccccc5c4)c3n2)N	8734
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(nc2n1ncc2)C(N)C	8735
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2ncc(I)c2nc(C(C)NC3CCOCC3)c1	1390
+C[Si](C)(C)CCOCN1C(C(=C(c2c(cc(cc2)O)C)N(C)C1=O)C)=O	16
+C[Si](C)(C)CCOCN1c2c(nc(Nc3c(nccc3)OC)nc2)N(C4CCOCC4)C1=O	949
+C[Si](C)(C)CCOCN1C(=O)C(=C(c2c(cc(cc2)OCc3ccccc3)C)N(C)C1=O)C	4580
+C[Si](C)(C)CCOCN1C(=O)C(CCC1)(CC#Cc2nc(cc(-c3cc(OCC)ccc3F)n2)C)NC(OC(C)(C)C)=O	1467
+C[Si](C)(C)CCOCN1C(c2c(ccc(c2)NS(=O)(=O)c3ccccc3)N=C1n4ncc(C(OCC)=O)c4)=O	69
+C[Si](C)(C)CCOCN1C(c2c(N=C1n3ncc(C(OCC)=O)c3)ccc(N)c2)=O	0
+C1COCCC1N2C(=O)Nc3cnc(nc23)Nc4c(nccc4)OC	8736
+C[Si](C)(C)CCOCOC(C)(C)COc1c(OC)cc(N)cc1	0
+C[Si](C)(C)CCOCOC(C)(C)c1cnc(cc1)C2(CCN(CC2)c3nnc(c(C)c3C)Cc4ccccc4)O	938
+c1ccccc1COc2c(Br)c(O)cc(-c3oc(C)cn3)c2	1434
+c1ccccc1COCC2Oc3c(OC2)ccc(CCNCC(O)c4ccc(c(c4)NC=O)O)c3	1434
+C[Si](C)(C)CCOCOc1cc(CCl)cc2c1cccc2	1331
+C[Si](C)(C)CCOCOc1c2c(cccc2)cc(c1)COC3C(c4ccc(cc4)F)CCNC3	25
+CC(C)Oc1ccc(-c2nc(-c3c4c(cco4)c(cc3)O)no2)cc1Cl	1434
+C[Si](C)(C)CCOCOc1c2ccccc2cc(c1)COC3C(c4ccc(cc4)F)CCN(C3)Cc5ccccc5	555
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3c(Cl)cc(O)cc3)cc1	1434
+C[Si](C)(C)CCOCOc1c(Br)c(OCc2ccccc2)cc(c1)-c3oc(cn3)C	2996
+CC(C)(C(=O)OCC)Oc1cc2c(cccc2)c(O)c1	1434
+C[Si](C)(C)CCOCOc1cc(c(C(=N)NO)cc1)Cl	181
+CC(C)Oc1ccc(cc1C#N)-c2nc(no2)-c3ccc(cc3)O	1434
+C[Si](C)(C)CCOCOc1ccc(cc1)C(=NO)N	253
+C[Si](C)(C)CCOCOc1c(cc(C(CNCCc2ccc3c(OC(COCc4ccccc4)CO3)c2)O)cc1)NC=O	132
+C[Si](C)(C)CCOCn1c(-c2nc(N)ncc2I)cc(C(OCC)=O)c1-c3cc(Cl)ccc3C	1154
+FC(F)Oc1c(-c2n[nH]cc2NC(=O)c3c4n(cccn4)nc3)cc(cc1)Cl	928
+C[Si](C)(C)CCOCn1c(-c2ccc(cc2)OCC(Nc3ccc(cc3)C#N)=O)nc4N=CN(C(=O)c14)CCC	648
+c1cc(ccc1-c2nc3c(N=CN(CCC)C3=O)[nH]2)OCC(Nc4ccc(cc4)C#N)=O	503
+C[Si](C)(C)CCOCn1c(C(=O)c2ccc3NC(Sc3c2)=O)ccn1	2229
+C[Si](C)(C)CCOCn1c(C(c2ccc(cc2)N)=O)ccc1	0
+C[Si](C)(C)CCOCn1c2cc(c(nc2cc1OCCC(O)=O)-c3ccc(cc3)-c4ccccc4)Cl	2154
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2ccc(c(Oc3cc(Br)cc(Cl)c3)c2F)Cl)=O)Cl	312
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2c(F)c(Oc3cc(cc(c3)C#N)Br)c(cc2)Cl)=O)Cl	312
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2c(c(Oc3c(Cl)c(F)cc(C#N)c3)c(Cl)cc2)F)=O)Cl	312
+C[Si](C)(C)CCOCn1c(OCCC=O)cc2nc(-c3ccc(cc3)-c4ccccc4)c(cc12)Cl	24
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(C3=CCCCC3)cc(cc2)C4CNS(NC4)(=O)=O	616
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C=3CCCCC=3)C(COC(=O)C)COC(=O)C	616
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(Br)cc2C3=CCCCC3	616
+C[Si](C)(C)CCOCn1c(Br)nc(C(=O)O)c1	1
+C[Si](C)(C)CCOCn1c2c(cccc2)nc1Oc3ccc(cc3)-c4c5nc(cn5ccc4)C	2200
+c1cc(ccc1-c2c3c(-c4c(scc4)C3)n[nH]2)Nc5ccc(cc5)F	928
+c1cc(ccc1-c2c3c(-c4c(scc4)C3)n[nH]2)Nc5ccc(cc5)OC	928
+C[Si](C)(C)CCOCn1c2c(N=C(N(CC(C)C)C2=O)Oc3c(C)nccc3)nc1C4CCCC4	8737
+C1CCC(C1)c2nc3c([nH]2)N=C(Oc4c(C)nccc4)N(CC(C)C)C3=O	503
+C[Si](C)(C)CCOCn1c2nccc(Nc3c(F)cc(cc3)[N+](=O)[O-])c2c(c1)C(F)(F)F	698
+C[Si](C)(C)CCOCn1cc(-c2ccc(cc2)O)c3c(NC4CCCC4)nc(nc13)Nc5ccc(C(NC)=O)cc5OC	55
+CC(C)(CO)CNC(=O)c1c2nc(-c3nn(C)c4cc(F)ccc34)cnc2[nH]c1	1057
+C[Si](C)(C)CCOCn1c2c(c(C(NCC(C)O)=O)c1)c(-c3cccc(c3)[N+]([O-])=O)ncn2	56
+C[Si](C)(C)CCOCn1c2ncnc(-c3ccc(cc3C)C)c2c(c1)C(=O)N	393
+c12cnc(C#N)cc1c3c(OCC4CCCCN4C)ccnc3[nH]2	4581
+C[Si](C)(C)CCOCn1c2cnc(C#N)cc2c3cc(cnc13)Cl	3918
+C[Si](C)(C)CCOCn1c2c(c3cccnc13)cc(C#N)nc2	2005
+C[Si](C)(C)CCOCn1c2ncc(C(O)C)c(c2cc1)NC3CCCCC3	652
+C[Si](C)(C)CCOCn1c2c(c(C(=NN)C3CCCCC3)ncn2)cc1	8738
+c1cc(ccc1Oc2[nH]c3ccccc3n2)-c4c5n(ccc4)cc(C)n5	8739
+C[Si](C)(C)CCOCn1c2ccc(NC=O)cc2cn1	753
+C[Si](C)(C)CCOCn1cc(c2nc(N3C(=O)c4c(C3)c(Cl)ccc4)cnc12)C(=O)O	2230
+C1CN(c2c3cc(ccc3ncn2)-c4cnc5c(c4)nc(C)[nH]5)c6ccccc6C1	8740
+c1cc(ccc1-c2ccccc2)-c3c(Cl)cc4[nH]c(cc4n3)OCCC(=O)O	8741
+C[Si](C)(C)CCOCn1nc(C(=O)O)c2c1cc(Br)cc2	1
+C[Si](C)(C)CCOCn1c2ccc(cc2cc1)C(c3ccccc3C#N)O	257
+C[Si](C)(C)CCOCn1c2c(cc(cc2)C#C)cn1	75
+C[Si](C)(C)CCOCn1c2ccc(NC)cc2cn1	695
+C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c4c1ccc([N+]([O-])=O)c4	567
+C[Si](C)(C)CCOCn1c2ccc([N+](=O)[O-])cc2c(C=O)n1	2231
+C[Si](C)(C)CCOCn1c2ccc(C(=O)c3ccccc3C#N)cc2cc1	335
+Clc1cnc2c(c3c(cnc(C#N)c3)[nH]2)c1	4581
+C[Si](C)(C)CCOCn1c2cnc(c(F)c2c3c1nccc3)C#N	577
+C1C(CC1)Oc2cc(-c3[nH]c4c(c(O)nnc4)c3Cl)ccc2OC	8742
+C[Si](C)(C)CCOCn1cc(C(=O)NC(C)(C)C)c2c1nc(c(Nc3cnn(C)c3)n2)C	8743
+C[Si](C)(C)CCOCn1c2c(c(NC3CCCC3)nc(Cl)n2)c(-c4ccc(cc4)O)c1	2123
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(c2c(F)c1)Oc4cc(ccc4)N	0
+C(Nc1cccc(Oc2c3c(F)c[nH]c3nc(Nc4ccn(C)n4)n2)c1)(C=C)=O	762
+C1CN(CCN1c2c(F)cccc2)c3nc4c(c(n3)O)ccn4CO	4582
+CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)Br	1057
+C[Si](C)(C)CCOCn1cc(c2nc(Nc3cnc(C)cc3)cnc12)C(=O)NC(C)(C)C	8744
+C[Si](C)(C)CCOCn1cc(c2nc(Nc3ccc(cc3)CO)cnc12)C(=O)C(C)(C)C	8745
+C[Si](C)(C)CCOCn1c2c(nc(cn2)-c3cn(CC)nc3)c(c1)C(O)=O	2230
+c1cc(ccc1CN2C(N(C3CCCCC3C)c4c5cc[nH]c5ncc24)=O)C#N	762
+C[Si](C)(C)CCOCn1c2ncc3N(Cc4ccc(cc4)C#N)C(N(C5CCCCC5C)c3c2cc1)=O	8746
+FC(F)(F)c1c[nH]c2nccc(Nc3c(F)cc(cc3)[N+](=O)[O-])c12	762
+n1cnc2[nH]cc(C#N)c2c1-c3ccc(C)cc3C	762
+C[Si](C)(C)CCOCn1c2ncnc(-c3c(C)cc(cc3)C)c2c(c1)C#N	1014
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)-c3cnn(C4(CC(C4)COC)CC#N)c3	21
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(c3)C(C)(C)CCO)c2cc1	44
+CC(C)NC(=O)c1ccc(N2CC(C2)(n3ncc(c3)-c4ncnc5c4cc[nH]5)CC#N)c(c1)F	762
+CC(C)(CCO)n1ncc(-c2ncnc3c2cc[nH]3)c1	762
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1	24
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)-c3cnn(C4(CC(C4)CO)CC#N)c3	88
+C[Si](C)(C)CCOCn1cc(C2=NN3C(=NNC3=S)C=C2)cn1	8747
+C[Si](C)(C)CCOCn1nc(c(-c2ccncc2)c1)-c3cc(CNC(c4ccc(cc4)C(F)(F)F)=O)ccc3	93
+N1CC(CNS1(=O)=O)c2ccc(NC(=O)c3nc(c[nH]3)C#N)c(C4=CCCCC4)c2	503
+CC1(C)CCC(=CC1)c2c(ccc(c2)CCS(=O)(=O)N(C)C)NC(=O)c3nc(c[nH]3)C#N	503
+C1CN(CCC1c2ccc(c(C3=CCCCC3)c2)NC(=O)c4nc(c[nH]4)C#N)C(NCCO)=O	503
+CC1(C)CCC(c2cc(ccc2NC(=O)c3nc(c[nH]3)C#N)Br)=CC1	503
+C1C(=O)N(C(CC1c2cc(c(cc2)NC(=O)c3nc(c[nH]3)C#N)C4=CCCCC4)=O)C	503
+CC1(C)CCC(c2c(ccc(CCC(=O)N)c2)NC(=O)c3nc(c[nH]3)C#N)=CC1	503
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(C=3CCCCC=3)cc(cc2)C(CO)CO	59
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C=3CCCCC=3)C(CO)COC(C)=O	59
+C1N(CC1C#N)C(C(C2CC2)NC(=O)c3c[nH]c4c3nc(cn4)N5Cc6c(cccc6Cl)C5=O)=O	1057
+C1CC1c2nc3c(c[nH]c3nc2)C(NC(C)CC(NCC)=O)=O	1057
+C1CC1C(C(C)(C)C(=O)N)NC(c2c3nc(cnc3[nH]c2)C4CC4)=O	1057
+C[Si](C)(C)CCOCn1cc(C(NC(C(C)(C)C(=O)N)C2CC2)=O)c3c1ncc(C4CC4)n3	645
+C1CC(CCO1)NC(=O)c2c[nH]nc2-c3sc4c(CCCC4)n3	928
+C[Si](C)(C)CCOCn1c2c(c(c1)C(O)=O)c(-c3cc(ccc3)[N+]([O-])=O)ncn2	6
+C[Si](C)(C)CCOCn1ncc(c1)-c2ccc3n(n2)c(nn3)Sc4cc5c(nccc5)cc4	4583
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(Oc4cccc([N+](=O)[O-])c4)c2c(F)c1	1618
+C[Si](C)(C)CCOCn1cc(-c2ccncc2)c(-c3cc(ccc3)CN)n1	107
+C[Si](C)(C)CCOCn1cc(c(-c2sc3CCCCc3n2)n1)C(=O)O	6
+C[Si](C)(C)CCOCn1cc(c2c(nc(Cl)nc12)Cl)-c3ccncc3	2997
+c12c(n(cc1-c3cc(ccc3)C#N)CO)ncnc2Cl	4582
+C[Si](C)(C)CCOCn1cc(F)c2c(Oc3cc([N+](=O)[O-])ccc3)nc(nc12)Cl	8748
+C[Si](C)(C)CCOCn1c2c(c(C(O)=O)c1)nc(-c3c4ccc(cc4n(C)n3)F)cn2	2230
+C[Si](C)(C)CCOCn1c2ncc(Br)nc2c(C(=O)O)c1	2230
+CC(C)(C)C(C(N1CCC(CC1)(O)c2ccccc2)=O)NC(=O)c3c4c([nH]c3)ncc(n4)C5CC5	1057
+CC(C)(C)C(=O)c1c2c(ncc(Nc3ccc(cc3)C=C(C(N)=O)C#N)n2)[nH]c1	1057
+C[Si](C)(C)CCOCn1cc(c2nc(cnc12)Nc3ccc(cc3)C=O)C(=O)C(C)(C)C	39
+CC(C)(C)NC(=O)c1c[nH]c2c1nc(Nc3cnc(C)cc3)cn2	1057
+C[Si](C)(C)CCOCn1cc(c2nc(Nc3ccc(cc3)C=C(C(N)=O)C#N)cnc12)C(=O)C(C)(C)C	2204
+C[Si](C)(C)CCOCn1cc(c2nc(Nc3ccc(cc3)C=C(C(NC)=O)C#N)cnc12)C(=O)C(C)(C)C	2204
+FC(F)(F)c1cnc([nH]1)-c2ncc(-c3cnc(cc3C)OCC4(CCC4)C(O)=O)cc2Cl	503
+C[Si](C)(C)CCOCn1cc(nc1-c2c(Cl)cc(cn2)-c3cnc(cc3C)OCC4(CCC4)C(O)=O)C(F)(F)F	3
+FC(F)(F)c1c[nH]c(-c2ccc(cc2Cl)-c3c(C)cc(OCC4(CCC4)C(O)=O)nc3)n1	503
+C[Si](C)(C)CCOCn1cc(nc1-c2ccc(cc2Cl)-c3c(C)cc(OCC4(CCC4)C(O)=O)nc3)C(F)(F)F	3
+CC1(C)CCC(=CC1)c2c(cc(C(=O)C)cc2)NC(c3nc(c[nH]3)C#N)=O	503
+CC1(C)CC=C(CC1)c2cc(C3(CCS(CC3)(=O)=O)C#N)ccc2NC(=O)c4[nH]c(C#N)cn4	503
+C[Si](C)(C)CCOCn1cc(nc1C=NO)C(F)(F)F	4584
+C[Si](C)(C)CCOCn1nc2c(cc(cc2c1)F)C(OC(=N)C(Cl)(Cl)Cl)C	1664
+C[Si](C)(C)CCOCn1ccc(-c2nc3ccc(c(NC(=O)CNc4ccc(cc4)F)c3cc2)Cl)n1	1391
+c1cc(ccc1F)NCC(=O)Nc2c(ccc3nc(ccc23)-c4n[nH]cc4)Cl	928
+O=S(=O)(N1CCN(CC1)CC(n2cc(cn2)-c3ncnc4[nH]ccc34)C)c5nn(cc5)C	762
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(C(C)CN4CCN(CC4)S(=O)(=O)c5nn(cc5)C)nc3)ncnc12	2043
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(C(C)CN4CCNCC4)nc3)ncnc12	62
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C(CC#N)C4CN(CC4)c5nc(ccc5)Cl)nc3	43
+C[Si](C)(C)CCOCn1c2c(cc1)c(ncn2)C(C3CCCCC3)=O	955
+C[Si](C)(C)CCOCn1ccc2c(O)nc(Cl)nc12	4585
+c1cc(ccc1)CN2CC(C(C)CC2)N(C)c3c4cc[nH]c4ncc3	762
+C[Si](C)(C)CCOCn1c2ncc3NC(=O)N(C4C(CCCC4)C)c3c2cc1	8749
+C[Si](C)(C)CCOCn1ccc2c(N(C)C3CN(CCC3C)Cc4ccccc4)ccnc12	1635
+C[Si](C)(C)CCOCn1ccc2c(ccnc12)Nc3ccc([N+](=O)[O-])cc3F	1215
+c1(ncnc2[nH]ccc12)-c3cn(C(C4CN(CC4)c5nc(Cl)ccc5)CC#N)nc3	762
+C1CC(CCC1CC#N)n2cc(cn2)-c3ncnc4c3cc[nH]4	762
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C4CCC(CC4)COS(=O)(=O)C)nc3	7
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C4CCC(CC4)CC#N)nc3	300
+C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)C4CCNC4)c3)ncnc12	62
+CN(c1c2c([nH]cc2)ncc1)c3ccc([N+]([O-])=O)cc3F	762
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cnn(C(C4CN(C(=O)OCc5ccccc5)CC4)CC#N)c3	3744
+C[Si](C)(C)CCOCn1ccc2c1ncnc2-c3cn(C(CN4CC(C(CC4)OC(=O)c5ccccc5)F)CC#N)nc3	1647
+C[Si](C)(C)CCOCn1ccc2c1ncnc2-c3cn(C(CC#N)CN4CC(F)C(O)CC4)nc3	682
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CNCC(F)(F)F)=O)cnc12	110
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)C=O)=O)cnc12	24
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CO)=O)cnc12	35
+c1(Cl)c([nH]cn1)C(NCc2ccc(Cl)c(Oc3cc(cc(Br)c3)C#N)c2F)=O	503
+Clc1cc(cc(Oc2c(Cl)ccc(c2F)CNC(c3c(Cl)nc[nH]3)=O)c1)C#C	503
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2c(F)c(c(cc2)Cl)Oc3cc(Cl)cc(C#C)c3)=O)Cl	75
+c1(Cl)c([nH]cn1)C(NCc2ccc(Cl)c(Oc3cc(cc(c3Cl)F)C#N)c2F)=O	503
+C1COCCN1C(=O)c2c(O)ccc(-c3cc4c([nH]nc4nc3)-c5ccccc5OC)c2	8750
+C[Si](C)(C)CCOCn1c2c(c(-c3nc4ccccc4[nH]3)n1)cc(N)cc2	0
+C[Si](C)(C)CCOCn1nc(c2cc(ccc12)C3OCCO3)I	1435
+C[Si](C)(C)CCOCn1c2ccc(cc2c(n1)C#Cc3cc(ccc3)F)[N+](=O)[O-]	2349
+FC(F)(F)c1ccc(cc1)C(=O)NCc2cccc(-c3c(-c4ccncc4)cn[nH]3)c2	928
+C[Si](C)(C)CCOCn1nc(-c2ccc(cc2)Nc3cnccc3)c4c1-c5c(scc5)C4	2998
+C[Si](C)(C)CCOCn1c-2c(c(-c3ccc(cc3)Nc4ccc(cc4)F)n1)Cc5sccc-25	230
+C[Si](C)(C)CCOCn1c-2c(c(-c3ccc(cc3)Nc4ccc(cc4)OC)n1)Cc5sccc-25	230
+C[Si](C)(C)CCOCn1c2-c3ccsc3Cc2c(-c4ccc(cc4)Nc5ccncc5)n1	230
+c1cc(ccc1OC)-c2[nH]nc-3c2Cc4sc(-c5ccc(cc5)F)cc-34	928
+C[Si](C)(C)CCOCn1cc2cc(cc(C(O)C)c2n1)F	2129
+C[Si](C)(C)CCOCn1cc(-c2ccc(NN)nn2)cn1	599
+C[Si](C)(C)CCOCn1ncc([N+]([O-])=O)c1-c2c(ccc(Cl)c2)OC(F)F	8751
+c1(c(F)c(c(c(OC)c1)F)N2C(C3(CC3)c4c(cnc(-c5n[nH]cc5[N+]([O-])=O)c4)C2)=O)OC	928
+C[Si](C)(C)CCOCn1c(-c2c(ccc(Cl)c2)OC(F)F)c(cn1)N	209
+c1(n2c(nn1)ccc(-c3c[nH]nc3)n2)Sc4ccc5ncccc5c4	928
+C[Si](C)(C)CCOCn1ncc2c1cc(N)c(CNC(c3ccccc3)C)n2	473
+C[Si](C)(C)CCOCn1ncc2c1cc(NC(OC(C)(C)C)=O)c(CNC(c3ccccc3)C)n2	294
+C[Si](C)(C)CCOCn1c2c(cn1)cc(cc2)N	0
+n1cc(-c2cc3c[nH]nc3cc2)ccc1	8752
+C[Si](C)(C)CCOCn1ncc2cc(-c3cccnc3)ccc12	1617
+C[Si](C)(C)CCOCn1ncc2c1cc(c(C=O)n2)NC(=O)OC(C)(C)C	1436
+C[Si](C)(C)CCOCn1c(C(c2cc3c(NC(=O)S3)cc2)O)ccn1	4586
+C[Si](C)(C)CCSc1cc(c(OCc2ccccc2)c3ncccc13)Cl	2039
+c1ccc(cc1C2(c3cccc(c3)Cl)C4CN(CC4C(CC2)=O)Cc5ccccc5)Cl	8753
+C[Si](C)(C)Cn1cc(-c2nc(ccc2)Br)nn1	8754
+C[Si](C)(C)CNC(=S)c1cc(c(cc1)Br)C	581
+C[Si](C)(C)CNC(=S)c1cc(C#N)c(cc1)-n2ncnc2	581
+C[Si](C)(C)OC(N=Cc1cc(I)ccc1OCC=C)=C	4587
+C[Si](C)(C)OC(=C)N=Cc1cc(ccc1Oc2ccc(cc2)OC)Br	4587
+C[Si](C)(C)c1c(C(=O)NCC)c(ccc1Cl)Cl	1091
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(C#C[Si](C)(C)C)n3)n1)C	4182
+C[Si](C)(C)OC(CC#C)(C(F)F)CCCC	19
+C[Si](C)(C)c1c(F)c(ccc1Br)F	1091
+C[Si](C)(C)OC(CC#C)CCCC	19
+C[Si](C)(C)c1ccc(Br)cc1F	1803
+C[Si](C)(C)c1c(cc(cc1F)Cl)F	1091
+C[Si](C)(C)C1c2cc(ccc2-c3n(c4c(c(C)cc(c4)C)c13)C)F	8755
+C[Si](C)(C)OC(=C)CCOCc1ccccc1	8756
+C[Si](C)(C)c1cccc(c1C(NCC)=O)Cl	1091
+C[Si](C)(C)OC1C(NC1=O)c2ccccc2	1952
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)C(OC)=O	19
+c1cc(ccc1Br)-c2c(C(=O)OCC)n(nn2)C	2999
+c1(-c2nc(ccc2)Br)nnn(C)c1	2999
+C1CN(CCC1Cn2ccc3cc(-c4cn(C)nn4)ccc23)C(CCc5ccccc5)=O	2999
+c1ccccc1C2CC(c3c(O2)cc(c(c3)-c4cccnc4F)F)=NC#N	8757
+c1cc(ccc1)Cc2cn(c3c2cccc3)CCN(C(=O)N)O	3595
+c1cc(ccc1OC)-c2nc(oc2-c3ccc(cc3)OCCNC(=O)N)OC	8758
+Clc1cccc(Cl)c1COc2ccc3c(cc(n3CCCc4[nH]nnn4)C(NCC(C)C)=O)c2	3988
+FC(F)(F)c1cn(nn1)-c2c(-c3cc(OC)ncn3)cc(C)cc2	8759
+FC(F)(F)C(Nc1ncc(c2c1c3c(cc(cc3)-c4[nH]nnc4)[nH]2)C(=O)N)C5CC5	8760
+FC(F)(F)c1ccc(-n2c(nnn2)COC(C)=O)cc1C#N	3779
+FC(F)(F)c1cccc(CN2C(=O)N(c3ccc(cc3)N4CCOC4=O)C=C(c5[nH]nnn5)C2=O)c1C	3563
+FC(F)(F)c1c(C)c(CN2C(C(c3[nH]nnn3)=CN(c4ccc5c(N(C)C(=O)N5C)c4)C2=O)=O)ccc1	8761
+c1(-c2ccc(Cl)c(c2)CNC(OC)=O)[nH]nnc1	3000
+c1ccccc1C(C(OCC)=O)c2[nH]nnn2	8762
+c1cc(ccc1)-c2n(nnn2)Cc3ccccc3	2497
+c1cc(ccc1)Cn2nnnc2C3CCCN3C(=O)OCc4ccccc4	4164
+c1ccccc1COc2c(-c3nnnn3CCCOC)cc(c(OCc4ccccc4)c2)Br	2497
+c1ccccc1N=[N+]=[N-]	8763
+c1cc(ccc1)S(=O)(=O)c2cccc3cc([nH]c23)C(=O)Nc4c(cc(cc4)I)-c5[nH]nnn5	2162
+c1cc(ccc1-c2nnn[nH]2)C(=O)N(OC)C	2162
+c1cc(ccc1-c2[nH]nnn2)CCC(C=Cc3c(cccc3)OCCCCCc4ccccc4)CCCCC(OCC)=O	1711
+c1cc(ccc1OCCCCOc2c(C)c(c(cc2)C(CCC)=O)O)-c3[nH]nnn3	2162
+c1cc(ccc1OCCCCOc2ccc(c(c2Br)O)C(C)=O)-c3[nH]nnn3	4440
+c1cc(ccc1CN2C(C=CC(c3ccc(cc3)Cc4nnn[nH]4)=C2)=O)Cl	3895
+c1cc(ccc1CC2=C(n3c(ccn3)N(C4CCOCC4)C2=O)CCC)-c5ccccc5-c6[nH]nnn6	8764
+c1cc(ccc1F)-c2oc3ccc(cc3c2C(NC)=O)-c4cccc(-c5nnn[nH]5)c4	1711
+c1cc(ccc1F)-n2ccc3c2ccc(-c4nn[nH]c4)c3	3000
+c1cc(ccc1F)COc2cc(c(cc2)N3C(NN=N3)=O)F	8765
+c1cc(ccc1S(=O)(=O)n2ncc3c(cc(cc23)Br)-c4nnn[nH]4)C	1711
+c1cc(ccc1)-c2[nH]nnc2-c3c4c(nc(OC)c(OC)n4)cc(Cl)c3Cl	8766
+c1cc(ccc1CC=2C(=O)N(Cc3ccccc3)C(C)=CC=2OCCC)-c4ccccc4-c5[nH]nnn5	1711
+c1ccccc1CN2CCC(CC2)c3nnnn3C	4199
+c1nc(NC2c3cc(-c4[nH]nnc4)ccc3N(C(C)C2)C(=O)C)ccc1C	3000
+C[Si](C)(C)OC(C=1N2C(C(NC=O)C2S(CC=1CBr)=O)=O)=O	8767
+O(C)CCOc1ccnc(N)c1	2987
+c1cc(ccc1-c2ccccc2)COCc3ccc(nc3)N	2987
+c1ccccc1C(c2ccccc2)=CCN3CCN(CC3)c4ccc(cc4)C(=N)N	8768
+CC(C)(C)OC(=O)Oc1cc(C#CC(C)(C)O[Si](C)(C)C)c(-c2c(ccc(OC)c2)F)cc1	1247
+C[Si](C)(C)OC(C)(C)C#CC(=O)c1ccc(cc1)C#N	8769
+c1cc(ccc1C(C#CC(C)(C)O)=O)C#N	4144
+C[Si](C)(C)OC(CCCC)CC=CI	8770
+OC(CC=CI)CCCC	353
+c1cc(ccc1)C(C(C)(C)C(OC)=O)c2cc3c(cc2)c(n[nH]3)-c4ccccc4	8771
+OC(C(=O)OC)c1csc(C)n1	8772
+C[Si](C)(C)c1ccc(cc1)C=C(F)c2nn(c(C)c2)Cc3ccnc(c3)N4CCN(CC4)C5CC5	3001
+C1CC1N2CCC(CC2C)Nc3nc(-c4c(Cl)ccc(O)c4)nc(-c5c(C)noc5C)c3C	3001
+C1CC1N2CCc3cc([N+]([O-])=O)ccc3CC2	3001
+Clc1ccc2SCCC(C(=O)O)c2c1	8773
+C[Si](C)(C)OC1C(O)C(OC(CO[Si](C)(C)C)C1O)c2cc(Cc3ccc(cc3)OCCOC4CCCCC4)c(cc2)Cl	353
+C[Si](C)(C)OCC1OC(c2ccc(Cl)c(Cc3ccc(cc3)COC4CC4)c2)(OC)C(C(C1O)O)O[Si](C)(C)C	353
+C[Si](C)(C)OCC1OC(c2cc(c(Cl)cc2)Cc3ccc(cc3)OC(F)(F)F)(OC)C(C(C1O)O)O[Si](C)(C)C	353
+C[Si](C)(C)OCC1OC(c2cc(c(Cl)cc2)Cc3ccc(cc3)OCC(F)F)(OC)C(C(C1O)O)O[Si](C)(C)C	353
+C[Si](C)(C)OCC1OC(c2ccc(c(c2)Cc3ccc(cc3)OCCOC4CCCCC4)Cl)C(O)C(O)C1O	353
+c1cc(ccc1COC2CC2)Cc3c(ccc(C4(OC(CO)C(C(O)C4O)O)OC)c3)Cl	353
+c1cc(ccc1Cc2cc(C3(OC(CO)C(C(O)C3O)O)OC)ccc2Cl)OCC(F)F	353
+C[Si](C)(C)OC1C(C(CO[Si](C)(C)C)OC(c2cc(Cc3ccc(cc3)COC4CC4)c(Cl)cc2)(OC)C1O[Si](C)(C)C)O	353
+C[Si](C)(C)OC1C(C(CO[Si](C)(C)C)OC(c2ccc(Cl)c(c2)Cc3ccc(cc3)OCC(F)F)(OC)C1O[Si](C)(C)C)O	353
+C[Si](C)(C)OC1C(C(CO[Si](C)(C)C)OC(c2cc(c(Cl)cc2)Cc3ccc(cc3)OC(F)(F)F)(OC)C1O[Si](C)(C)C)O	353
+C[Si](C)(C)OC1C(C(CO[Si](C)(C)C)OC(C1O)c2cc(c(Cl)cc2)Cc3ccc(cc3)OCCOC4CCCCC4)O[Si](C)(C)C	353
+C[Si](C)(C)OCC1OC(C(C(O)C1O)O[Si](C)(C)C)(OC)c2c(CCCOCC#CC)cc(c(c2)Cc3ccc(cc3)OCC)Cl	353
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)COC	21
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)CO	88
+c1cc(ccc1OCC)Cc2c(Cl)cc(CCCOCC#CC)c(c2)C3(OC)C(C(C(C(CO)O3)O)O)O	353
+C[Si](C)(C)OCC1OC(C(C(O)C1O)O)(c2c(CCCOCC#CC)cc(Cl)c(Cc3ccc(cc3)OCC)c2)OC	353
+FC(F)(F)Oc1ccc(cc1)Cc2c(Cl)ccc(C3(OC(CO)C(O)C(O)C3O[Si](C)(C)C)OC)c2	353
+C[Si](C)(C)OC1C(OC(CO)C(O)C1O)(c2ccc(Cl)c(Cc3ccc(cc3)OCC(F)F)c2)OC	353
+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(c2cc(Cc3ccc(cc3)OCC)c(cc2CCCOCC#CC)Cl)(OC)OC(CO[Si](C)(C)C)C1O	353
+C[Si](C)(C)OC1C(OC(CO)C(O)C1O)(c2cc(c(Cl)cc2)Cc3ccc(cc3)COC4CC4)OC	353
+c1cc(ccc1OCCOC2CCCCC2)Cc3c(ccc(C4C(O)C(O)C(O)C(CO)O4)c3)Cl	353
+C[Si](C)(C)OCCCNc1nc2N(C(=O)C(=Cc2cn1)c3c(Cl)cc(-c4nc(C)cnc4)cc3)CC	96
+c1ncc(-c2cc(Cl)c(C3=Cc4c(N(C3=O)CC)nc(nc4)NCCCO)cc2)nc1C	353
+N#Cc1nccc(CO)c1	353
+C[Si](C)(C)ONC(C(S(=O)(=O)C)(C)CCc1cnc(Br)cc1)=O	293
+c1cnccc1Cc2nc(on2)C(CCCC3CCCCC3)CC(NO)=O	3669
+C1CC(CCC1)CCCC(CC(NO)=O)c2nc(C(N3CC(C3)C(OC)=O)=O)no2	4588
+O=S(=O)(C)C(C(=O)NO)(CCc1cnc(Br)cc1)C	4588
+C[Si](C)(C)OC(c1ccc(cc1)-n2cncn2)=C	8774
+c1cc(ccc1)-c2c[nH]c3c2cc(Cl)cc3[N+]([O-])=O	8775
+C[Si](C)(C)c1c(c(F)c(C(=O)O)cc1Br)F	634
+C[Si](C)(C)c1c(c(-c2cc(cnn2)-c3ccc(F)c(-c4c(F)cccc4C#N)c3)ncc1F)F	8776
+N#Cc1c(c(F)ccc1)-c2cc(ccc2F)-c3cc(-c4c(cc(cn4)F)F)nnc3	8777
+c1c(c(C=O)c(Cl)cc1F)F	4589
+O=Cc1c(Cl)cc(c(c1F)I)F	1058
+CC1(C)C(N(C)c2c(c(ccc12)I)F)=O	1058
+O=Cc1c(c(F)cc(c1)Br)F	4589
+C[Si](C)(C)c1c(cc(C(Cc2ccc(cc2)Cl)=O)c(F)c1F)Br	8778
+C[Si](C)(C)c1cc(nnc1Cl)NN	599
+C[Si](C)(C)c1c2n(Cc3cccc(F)c3)c(cc2ccc1)C(=O)O	6
+C[Si](C)(C)c1cc(F)c(cc1)Nc2c(C(OCC)=O)oc3ccncc23	4590
+C[Si](C)(C)c1cc(c(cc1)Nc2c(oc3c2c(Cl)ncc3)C(OCC)=O)F	4590
+c1c(I)cc(c(c1)NC=2C(=C3SCCN3C(C=2C)=O)[N+]([O-])=O)F	1058
+c1c(I)cc(c(Nc2c3c(oc2C(=O)OCC)ccnc3)c1)F	1058
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(nc(nc3OC)NCCO)OC)=O	118
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(nc(nc3OC)NCCN)OC)=O	273
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(nc(nc3OC)NCCOS(=O)(=O)C)OC)=O	7
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(nc(nc3OC)NCCNCc4ccccc4)OC)=O	285
+c1c(I)cc(c(c1)NC2=C(C(N3C(OCC3)=C2[N+]([O-])=O)=O)C)F	1058
+c1c(I)cc(c(Nc2c3c(oc2C(=O)OCC)ccnc3Cl)c1)F	1058
+C[Si](C)(C)c1cccc(c1)C#Cc2cc(Br)ccc2	129
+C[Si](C)(C)c1cccc(C=C(N=[N+]=[N-])C(=O)OCC)c1	8779
+C[Si](C)(C)c1cc(NNC(c2c(F)cccc2)=O)nnc1Cl	1798
+C[Si](C)(C)c1cc2cc(C(OCC)=O)n(Cc3cc(ccc3)C)c2cc1	8780
+c1c(I)cc(c(Nc2c(ncc(CNC=O)n2)C(=O)OC)c1)F	1058
+C[Si](C)(C)c1ccc(c(F)c1)Nc2nc(cnc2C(OC)=O)CN	4212
+C[Si](C)(C)c1cc(F)c(cc1)N	0
+CC(C)(C)OC(c1c(Nc2c(cc(I)cc2)F)c3cnsc3cc1)=O	1058
+C[Si](C)(C)c1ccc(Nc2nc(C#N)cnc2C(=O)OC)c(F)c1	8781
+C[Si](C)(C)c1ccc(Nc2c(ncc(n2)CNC=O)C(OC)=O)c(F)c1	707
+C[Si](C)(C)c1ccc(cc1)C#Cc2cccc(Br)c2	129
+C[Si](C)(C)c1ccc(cc1)C=C(F)c2nn(Cc3ccnc(Cl)c3)c(C)c2	1944
+C[Si](C)(C)c1ccc(cc1)CNCCc2cccc(C(F)(F)F)c2	42
+C[Si](C)(C)c1ccc(cc1)CN(CCc2cc(ccc2)C(F)(F)F)C(=O)c3c4[nH]ccc4cc(Cl)c3F	211
+C[Si](C)(C)c1ccc(cc1)-n2c(C)c(cc2-c3c(Cl)cc(cc3)Cl)C(=O)OCC	4591
+C[Si](C)(C)c1ccc(cc1)N	0
+C[Si](C)(C)c1cc2c([nH]c(C(=O)OCC)c2)cc1	4592
+C[Si](C)(C)c1c(ccc(Cl)c1C(=O)NCC)[N+]([O-])=O	8782
+C[Si](C)(C)c1nn(c(c1)C(=O)O)-c2ccc(cc2)OCCN3CCOCC3	6
+C[Si](C)(C)c1nn(-c2ccc(cc2)O)c(C(=O)OCC)c1	186
+c1cc(ccc1C)S(=O)(=O)OCCC[Si](C)(C)CCCC	36
+c1cc(ccc1[Si](C)(C)CCl)Cl	1803
+C(C)N(CC)C(=O)c1c(ccc2c1cccc2)[Si](C)(C)CI	8783
+O(C)c1c(F)cc2C(C(Cc2c1C)CCCC)=O	8784
+c12c(nc[nH]1)c(c(N)cc2)C	8785
+c1cc(ccc1F)-c2n(-c3ccccc3)c4c(nc(C(=O)OCC)c(O)c4c2C#N)C	8786
+Clc1ccc2ccc(COc3cc4c(OCc5c(C4SCCc6nnn[nH]6)cccc5)cc3)nc2c1	4049
+c1cc(ccc1Cn2c(nc3cccc(C(=O)OCC)c23)OCC)-c4ccccc4-c5[nH]nnn5	8787
+c1cc2c(cc(cn2)C#N)cc1Cc3cc(ccn3)C(=O)OC	8788
+c1cc(ccc1N2C(OC(Cn3nnc(c3)C)C2)=O)-c4ccc(C=5CC(CO)ON=5)s4	8789
+CC(C)(C)[Si](C)(C)OCC1CC(=NO1)c2ccc(cc2)-c3ccc(cc3)N4CC(Cn5ccnn5)OC4=O	8790
+O=S(=O)(c1cnc(cc1)-c2cnc(c(-c3sc4C(NCCc4c3)=O)c2)N)N(C)CC	8791
+c1cc(C(=O)c2c(C)n(c3ccccc23)CCNc4ccc(c(c4)OC)C(OC)=O)c5c(cccc5)c1	1277
+Cc1ccccc1-c2ncncc2N	193
+Cc1c(cccc1)-c2c(ccc(I)c2C)SC	158
+FC(F)(F)c1c(Cl)cc(cc1)C(=O)N(C)c2cnccc2-c3ccccc3C	3002
+FC(F)(F)c1ccc(c(C(N(C)c2c(ccnc2)-c3ccccc3C)=O)c1)F	4593
+Cc1c(-c2cc3ncc([N+]([O-])=O)c(c3cc2OC)Cl)c(C)on1	120
+Cc1c(-c2cc3ncc4nc(n(Cc5ncccc5)c4c3cc2OC)N)c(C)on1	8792
+Cc1c(-c2cc3c(c(c(N)cn3)NC(C)COC)cc2OC)c(C)on1	13
+Cc1c(-c2cc3c(c(c(N)cn3)NCc4ncccc4)cc2OC)c(C)on1	13
+Cc1c(-c2cc3c(c(c([N+]([O-])=O)cn3)NC(C)COC)cc2OC)c(C)on1	105
+Cc1nc(O)ccc1-c2cn3c(ncc3)cc2	2203
+C(Nc1nc(C)c(-c2csc(CC#N)n2)s1)(=O)n3cncc3	8793
+OCc1ccc(C)c(-c2ncccc2)n1	59
+O=S(=O)(CCN1Cc2cccc(Nc3nc(-c4ccccn4)c(C)cc3)c2CC1)C	781
+Cc1c(-c2nnc(SCCCN3CC4(CC3)CCc5cc(Cl)ccc45)n2C)sc(C)n1	53
+FC(F)(F)C(CC(=O)c1ccc(-c2occc2)c(C)c1)=O	1219
+O=S(=O)(OCCCOc1cc(Nc2cc(-c3c(-c4cnccc4)c(C#N)c(SC)s3)c(cc2)C)ccc1)C	7
+Cc1nn(-c2ccc(cc2F)O)c(I)c1C#N	8794
+Cc1c(C#N)c(n(-c2ccc(cc2F)O)n1)N	5
+Cc1c(nc2n1nc(cc2)Cl)C#N	1751
+Cc1noc(C)c1C(Nc2cc(ccc2O)CC(OC)=O)=O	2965
+c1(C)nc2sc(c(Br)c2c(N)c1)C	1220
+c1(C)nc2c(c(N)c1)c(c(Br)s2)-c3cc(ccc3)OC	1220
+Cc1n(c2cc(OC)ccc2c1C(NC)=O)CC	56
+c1ccccc1C(C)OC(Nc2n(-c3c(cc(Br)cc3)OC)nnc2C)=O	2907
+Cc1c(C(=O)O)n(nn1)-c2ccc(cc2OC)Br	1
+Cc1n2c(nc1C(=O)O)ccc(Cl)n2	1
+Cc1c(C(=O)N)nc2n1nc(cc2)Cl	2232
+Cc1c(C(=O)O)c2n(c(cc(C)c2)OCc3c(F)cccc3Cl)n1	6
+Cc1c(C(C)C(OCC)=O)ccc(n1)N	161
+CC(C)Oc1ccc(S(=O)(=O)N)cc1Nc2scc(-c3c(C)nc(C)n3C)n2	8795
+c1ccc(C)c2cc[nH]c12	4192
+CC1(C)Cc2c(C)cc(C)c(C)c2O1	1658
+O=[N+]([O-])c1c(cc(c(C)c1)C)NCCCN	250
+c1(oc(c(C)c1)C)Cc2ccccc2Br	2233
+Cc1c(C)cc(o1)Cc2cc(ccc2)Br	2233
+c1cc(ccc1Br)Cc2cc(C)c(C)o2	2233
+c1ccccc1-c2cc3c(nc(C)cc3nc2N)C	8796
+Cc1nc(SC)nc(Cl)c1CC(OC)=O	64
+Cc1nc(nc(Cl)c1CCCCCC)N	64
+Cc1c(C=O)c(N)cc(C)n1	200
+Cc1nn(-c2c(cccc2F)-c3nccn3C)cc1C=O	576
+c1cc(ccc1)Cn2cc(C(=O)OCC)c(OCc3cc(OCc4nc(oc4C)-c5ccco5)c(cc3)OC)n2	4594
+Cc1c(COc2cc(ccc2OC)CCl)nc(-c3occc3)o1	109
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4nc(-c5cc(C#N)ccc5)oc4C)cc3)OC)n2	4595
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(cc3)OCc4c(oc(C=CC(OCC)=O)n4)C)OC)n2	4595
+Cc1c(COc2ccc(cc2OC)CCl)nc(-c3cc(ccc3)C#N)o1	109
+Cc1c(COc2ccc(cc2OC)CCl)nc(C=CC(OCC)=O)o1	109
+Cc1c(COc2cnc(cc2)C(=O)O)c(no1)-c3ccc(cn3)F	1
+Cc1c(COc2cnc(cc2)C(=O)O)c(no1)-c3ncccc3	1
+Cc1c(COc2ncc(C(=O)O)cc2)c(no1)-c3ccncn3	1
+Cc1c(COc2nnc(cc2)C(NC)=O)c(no1)-c3cc(F)ccc3	780
+c1(c(C)c(SC)nnc1N)C	1929
+c1cc(ccc1F)-c2cn3nc(c(C)c(C)c3n2)Cl	1749
+CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12	14
+c1cc(ccc1)C2(NC(N(CC(c3c(F)cc(cc3)NC(=O)Nc4c(C)noc4C)=O)C2=O)=O)CCC	8797
+c1cc(C)c(OC)c(Oc2c(F)cccc2)c1	297
+Cc1nc2cccc(c2nc1Cl)Br	1221
+Cc1nc2cccc(Cl)c2nc1Cl	1221
+Cc1c(OC)cc(c(C(C)=O)c1)C	155
+C(=NO)(C)c1c(C)cc(OC)c(C)c1	189
+Cc1cc(-n2c(c(C)c(C)n2)C)ccc1O	5
+Cc1c(C(=O)O)c(-c2cc(C)c(cc2)Br)on1	1
+Cc1nccc(-c2ccc(Cl)cc2F)c1CO	269
+O=S(=O)(NCCCCC)NC(=O)C=Cc1c(C)nn(C)c1-n2ccc3cc(ccc23)Cl	4596
+CC(C)c1ccc(cc1)C2c3c(C)c(c(c(c3OC2=O)C)Br)C	8798
+c1cc(ccc1C#N)Nc2cc(nc(C)c2[N+]([O-])=O)C	179
+c1(cc(cc(C)c1Sc2nc(nc(C)c2[N+]([O-])=O)Cl)Br)C	1124
+O=S(=O)(C)c1nc(c(C(C)CC)c(Cl)n1)C	737
+C(c1cccc(I)c1C(=O)OC)Br	4597
+Cc1c(CO)c(N)cc(C)n1	351
+Cc1c(c(Cl)nc(SC)n1)C(C)CC	64
+Nc1cccc(C)c1Br	0
+N#Cc1c(Cl)cc(cc1)-c2c(n(Cc3cnc(Br)cc3)nc2C)C	8799
+Cc1c(F)c(c(CN)c(O)n1)C	388
+Cc1c(c(Br)c(C)c(O)c1)C	1437
+c1c(c(c(c(C)c1)[N+]([O-])=O)C)OC	450
+Ic1c(O)c(c(nc1C)C)[N+](=O)[O-]	583
+c1c(c(ccc1)Nc2cccc(C)c2C)CO	98
+c1(ccccc1Nc2cccc(C)c2C)CNO	1059
+c1cc(ccc1CO)Sc2c(O)nc(nc2C)N	8800
+c1cc(ccc1OC)-c2c3n(nc2C)c(cc(N4CCCC4CO)n3)-c5cc(ccc5)Cl	3003
+c1cc(ccc1)COc2c(cc(C(=O)C)c(n2)C)C#N	1424
+Cc1nc(Cl)c(cc1C(=O)OCC)C#N	137
+Cc1c(cc(C(=O)O)c(O)n1)C(=O)C	4598
+Cc1c(ccc(O)n1)C(=O)C	1220
+c1c(C)c(N2CCC2=O)cc(N)c1C	0
+n1c(C)ccc(Br)c1O	2005
+Cc1c(cc2CCCCC(O)c2n1)C(=O)OCC	59
+c1cc(ccc1C(N(C)C(=O)CN2c3c(cc(c(C)c3)C)N=CC2=O)CN4CCOCC4)-c5ccccc5	10
+FC(F)(F)S(=O)(=O)Oc1cc2c(nc(SC)nc2)nc1C	4599
+Cc1c(cc2ccc(cc2n1)OCc3cc(Cl)ccc3)C(=O)OCC	139
+Cc1c(cc2ccc(cc2n1)O)C(=O)O	5
+c12ccccc1cc(c(C)c2)CO	41
+c1cc(ccc1-c2ccc(cc2C)C#N)OC	11
+CCCCc1c(C)nc(O)c(c1)[N+](=O)[O-]	475
+c1cc(ccc1)COC(=O)c2cc(ccc2)Oc3ccc(O)c(C)c3	470
+Cc1c(ccc(n1)N)OC(C)=O	161
+c1c(C(=O)OC)ccc(c1C)-c2ccccc2OC	11
+C(OCCOc1ccc(c(C)c1)Br)C	8
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3ccc(c(c3)C)Br	951
+Cc1c(ccc2nc(C(=O)OCC)cn12)Br	1959
+Cc1nc(ccc1CN)N	388
+Cc1ccccc1-c2ccncc2N	13
+Cc1c(-c2c(ccc(N)c2C)SC)cccc1	8801
+c1cc(ccc1-c2nc(c3c(n2)CCN(C(=O)Nc4cc(CC)ccc4)C3)-c5ccccc5C)F	345
+Cc1c(-c2c([N+]([O-])=O)cncn2)cccc1	511
+c1cc(C)c(cc1)C(c2c(C)cccc2)N3C=CC=C(C(=O)OC)C3=O	4600
+C(c1ccc2oc(cc2c1)Cc3cccnc3C)C(=O)O	4
+Cc1c(nc(-c2cc(ccc2)Br)o1)CC(=O)O	459
+Cc1c(nc(-c2cc(ccc2)Br)o1)CCO	21
+c1cc(ccc1F)-c2cccc(c2)-c3oc(C)c(CCO)n3	11
+c1(C=O)cc(c(cc1)OCc2nc(-c3cc(ccc3)C#N)oc2C)OC	547
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CCO	95
+O=S(=O)(OCCc1c(oc(n1)-c2ccc(Cl)nc2)C)c3ccc(cc3)C	36
+c1cc(ccc1)-c2ccc(cn2)-c3nc(CCOc4ccc(c(c4)C)CCC(=O)OC)c(o3)C	8802
+OCc1ccc(C)c(n1)C#N	59
+Cc1c(nnn1-c2cc(Cl)c(F)cc2)C(Nc3ccnc(Cl)c3)=O	4484
+Cc1nc(sc1CO)-c2ccc(Cl)cc2OC	8803
+Cc1c(-c2csc(n2)Nc3cc(ccc3OC)Br)sc(C)n1	8804
+O=S(=O)(C)c1nc(c(C)c(n1)Cl)NCc2c(nc(C)s2)C	737
+c1c[n+](c(c2OCOc12)C)[O-]	103
+O=C1c2c(C(=O)N1C(CC(C)C)COc3cc4N(C(c5c(ccnc5C)-c4cc3)=O)C)cccc2	556
+Cc1c2c(ccnc2n(-c3ncccc3)n1)O	1220
+c1ccccc1CN2C(c3c(onc3C)N=C2CCC)=O	8805
+Cc1c2c(c[nH]c2ncn1)I	1996
+Cc1nn(C(C)c2cc(Cl)c(c(c2OC)-c3cnc(cc3)C#N)C)c4c1c(ncn4)N	2649
+c12c(c(c(c(n1)O)C)C)c(c(CC=C)cc2C)O	423
+Cc1c2c(O)c(cnc2n(-c3ncccc3)n1)C(=O)O	6
+n1cnc2c(c1Cl)cccc2C	64
+c1cc(ccc1S(=O)(=O)n2cc(c3c(ncnc23)C)I)C	276
+Nc1c(nc2c(cccc2C)c1)N	13
+c1cc(ccc1F)N2CCN(CC2)CCCN3C(c4c(cn(C)c4C(CC3)=O)C)=O	53
+Cc1c2c(nc(cc2CO)Br)n(C3CCCCO3)n1	217
+O=S(=O)(OCc1cc(Br)nc2n(nc(C)c12)C3CCCCO3)C	7
+c1cc(ccc1-c2nc3n(nc(c3c(CO)c2)C)C4CCCCO4)OCOC	119
+Cc1c2c3c(ccc2nn1C)CCC3=CC#N	2011
+Cc1c2cc(C(Nc3c(Cl)ccc(c3)C(=O)OC)=O)c(O)nc2nc(OC)n1	246
+Cc1c2cc(C(=O)O)c(O)nc2nc(OC)n1	6
+Cc1c2cc(C(Nc3c(Cl)ccc(C(=O)O)c3)=O)c(O)nc2nc(OC)n1	1
+FC(F)(F)C=1NC(=C(C#N)C(C=1C#N)c2cc3c([nH]nc3C)cc2F)CCC(F)(F)F	4601
+FC(F)(F)C1=C(C#N)C(c2ccc3c(c(C)[nH]n3)c2)C(=C(C(F)F)N1)C#N	4601
+O=S(=O)(C)OCC1CN(c2ccc3c(onc3C)c2)C(O1)=O	7
+Cc1c2ccc(cc2n(-c3ccnc(N)n3)n1)I	8806
+Cc1c2n(nc(-c3cc([N+]([O-])=O)ccc3)nc2-n4ncnc4)c(C)n1	8807
+c1c(OC)c(c(cc1Nc2nc(nn3c(nc(C)c23)C)-c4cc([N+](=O)[O-])ccc4)OC)OC	8808
+Cc1c2nc(C3C(C(Cl)=O)C3)nn2c(C)cn1	130
+c1(n2c(nc1C3C(c4nn5c(cnc(c5n4)C)C)C3)c6c(cc2)nccc6)C	8809
+Cc1c2nc(C3C(C(N(OC)C)=O)C3)nn2c(C)cn1	1080
+Cc1c2nc(C3C(C(=O)O)C3)nn2c(C)cn1	3
+c1cc(ccc1CNCc2c(-c3c(cccc3F)OC)nc4c(cccc4C)c2)OC	249
+Cc1c2nc(nn2c(C)cn1)CCc3ccc(c(n3)N)O	161
+Cc1c2nc(nn2c(C)cn1)CCc3ccc(c(n3)[N+]([O-])=O)O	3004
+c1c(c(c(OC)cc1)COc2ccc(-n3c(c(C)c(C)n3)C)cc2C)N4N=NN(C4=O)C	22
+C(Cl)(=O)c1ccc(C#N)cc1C	82
+NNC(c1ccc(C)cc1C)=O	296
+c1c(C)cc(C)c(O)c1-c2occc2	1752
+FC(F)(F)C=1C=C(N(Cc2c(cc(C)cc2)C)C(=O)C=1C#N)c3cccc(Br)c3	8810
+c1(cc(cc(C)c1C(=O)c2ccccc2C(O)=O)C)C	1943
+FC(F)(F)C(O)c1c(cccc1)-n2c(C)cc(C)n2	568
+c1cc(ccc1Cl)Nc2c3ncn(CC)c3nc(n2)-n4c(cc(n4)C)C	2963
+Cc1cc(cc(c1)C(=O)OC)COC(C)=O	283
+CCOP(OCC)(=O)Cc1c(C)cc(CCl)c(C)c1	1060
+c1(C(=O)O)cc(CO)cc(C)c1	1
+c1(C(O)=O)nn(Cc2cc(C)on2)c3ccccc13	1
+c1(Br)cc(C)cc2[nH]nc(N)c12	575
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OCC)-c4c(C(CC=Cc5cc(ccc5)C)O)c(no4)C	1046
+c12[nH]nc(-c3[nH]c4c(cc(C)c(c4)C)n3)c1cccc2	567
+c1(NC(Nc2cc(ccc2)-c3csc(-c4cncnc4N)n3)=O)cc(C)ccc1	124
+[N+](=O)(c1cc(OC)c(C)cc1OC)[O-]	77
+Cc1c(cc(C)c(c1)SC#N)O	2871
+COc1cc(C)ccc1Cl	297
+C(C(=O)O)COc1cc(C)ccc1F	4602
+OB(O)c1c(C)cc(C)c(OCCC=C)c1	422
+c1(c(C)cc2c[nH]nc2c1)[N+]([O-])=O	1559
+Cc1cc(cc(C)c1)-c2c(C(C)CN)c3c(ccc(C(C)(C)C(=O)OCC)c3)[nH]2	3005
+c1(C)cc(cc(C)c1)C(c2cc(C)cc(C)c2)N3C=CC=C(C3=O)C(OC)=O	4600
+c1c(C)cc(cc1C(c2cc(C)cc(c2)C)O)C	257
+c1cc(ccc1C(C(=O)O)=Cc2cc(C)cc(C)c2)O	3006
+c1cc(ccc1S(=O)(=O)N)N=Cc2cc(C)cc(c2)C	457
+c1(cc(cc(C)c1S(=O)(=O)Cl)NC(=O)C)C	240
+c1ccccc1Nc2cc(C)cc(C)c2	8811
+Cc1cc(cc(C)c1)Nc2c(C(N)=O)c(SC)nc(SCC)n2	2529
+Cc1cc(cc(C)c1)Nc2nc(SCC)nc(c2C(=O)N)S(=O)C	1056
+Cc1cc(cc(C)c1)Nc2cc(Cl)nnc2C(N)=O	314
+c1c(C)cc(cc1OCC(=O)C)C	86
+c1c(C)c(c(cc1OCC2COC(C)(C)O2)C)-c3c(C)c(ccc3)C=O	760
+Cc1cc(cc(C)c1-c2c(nn3c(cc(C)nc23)NCCN)C)Cl	1005
+Cc1cc(cc(C)c1-c2c(C)nn3c(cc(nc23)C)Cl)Cl	1591
+c1c(C)c(c(cc1OCc2ncco2)C)-c3c4CCC(c4c(cc3)F)Oc5ccc6c(c5)OCC6CC(OC)=O	4151
+Cc1cc(cc(C)c1-c2cccn3c2cc4nc(C)nc(c34)Cl)C	1268
+c1(cc(cc(C)c1-c2cccc(CNc3ccc(c(c3)F)CCC(O)=O)c2)OCCOCC)C	3
+Cc1cc(cc(C)c1-c2cc(CO)ccc2)OCC3(CCSCC3)O	41
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(c3ccc(cc3)C(=O)O)C(C)C	1
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(c3ccc(cc3)C(NCC(C(=O)O)O)=O)C(C)C	4
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(c3ccc(cc3)C(=O)NCC(O)C(OC)=O)C(C)C	14
+Cc1cc(cc(C)c1-c2c(C)c(ccc2)C(=O)N(C)OC)OCC3COC(C)(C)O3	280
+Cc1cc(cc(C)c1-c2cccn3c4c(nc(C)nc4NCCN)cc23)C	8812
+c1cnccc1C(Nc2scc(-c3c(C)cc(cc3C)O)n2)=O	900
+Cc1cc(cc(C)c1-n2c3nc(C)nc(c3c(c2)C)O)C	8813
+Cc1cc(cc(C)c1-n2c(nc3c(NCCCl)cc(C)nc23)C)C	15
+c1c(C)c(c(cc1C)C)-n2c3nc(C)nc(Cl)c3c(C)c2	1032
+c1c(C)c(c(cc1NC(=O)C)C)-c2csc(N)n2	2579
+c1c(C)c(c(cc1Cl)C)-c2csc(N)n2	354
+Cc1cc(cc(C)c1-c2csc(N)n2)O	354
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)(C(=O)N)N)NC	527
+C1CN(CCC1(N)C#N)S(=O)(=O)C=Cc2c(C)cc(cc2C)N3C(NC(=O)C3(C)C)=O	661
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)(N)C#N)NC	661
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)=O)N3C(NC(=O)C3(C)C)=O	97
+c1c(C)c(c(cc1OCc2ccccc2)C)CO	41
+c1c(C)c(c(cc1Br)C)CC(=O)C=Cc2ncccc2	8814
+c1(C)cc(cc(C)c1CC(=O)N(C)OC)Br	164
+Cc1cc(cc(C)c1Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)NC(C(=O)O)=O	1581
+c1c(C)c(c(cc1CO)C)Cc2ccc(c(c2)C(C)C)OCOC	98
+FC(F)(F)c1[nH]c2c(Br)cccc2c1CCCOc3cc(C)c(c(C)c3)Cl	20
+Cc1cc(cc(C)c1Cl)OCCCc2c3c(c(ccc3)Br)[nH]c2	20
+Cc1cc(cc(C)c1Cl)OCCCc2c(C(OCC)=O)[nH]c3c(cccc23)-c4ccco4	8815
+Cc1cc(cc(C)c1Cl)OCCCc2c3cccc(-c4ccco4)c3[nH]c2C(=O)O	6
+Cc1cc(cc(C)c1Cl)OCCCc2c([nH]c3c2cccc3-c4ccco4)C(NS(=O)(=O)c5ccccc5)=O	3007
+c1cc(ccc1)OCc2nn(c(C)c2-c3c4c(c(CCCOc5cc(C)c(c(C)c5)Cl)c[nH]4)ccc3)C	20
+c1ccccc1COc2cc(Oc3c(C)cc(cc3C)[N+]([O-])=O)ccc2OC	415
+O=S(=O)(NC(=O)c1cc2ccc(C#N)cc2n1Cc3c(C)cc(cc3C)C)c4cccc([N+](=O)[O-])c4	3007
+Cc1cc(cc(C)c1F)C(NCCc2ccc(cc2)C(C)C)=O	93
+CC(C)c1cc2c(CCN=C2c3cc(C)c(c(c3)C)F)cc1	1753
+Cc1cc(cc(C)c1NC(=O)c2sccc2NS(=O)(=O)c3ccccc3)C	864
+c1c(C)c(c(cc1C(=O)O)C)NC(c2cc(N3CCC(CC3)O)nc4ccccc24)=O	1
+Cc1cc(cc(C)c1Nc2nc3cc(cc(c3s2)[N+](=O)[O-])C(=O)O)C	1
+Cc1cc(cc(C)c1Nc2nc3cc(cc([N+]([O-])=O)c3s2)CCl)C	2164
+c1(cc(cc(C)c1Nc2sc3c(cc(cc3[N+](=O)[O-])C)n2)C)C	8816
+Cc1cc(cc(C)c1Nc2nc3cc(cc([N+](=O)[O-])c3s2)CO)C	49
+c1c(C)c(c(cc1-c2oc3c(n2)cnc(Oc4c(cccc4)F)n3)C)O	893
+c1c(C)c(c(cc1C)C)Oc2nc(cc(c2C)Cl)C	136
+c1cc(ccc1)Cn2c3c(nc(N)nc3Oc4c(cc(cc4C)C)C)cc2	1438
+Cc1cc(cc(C)c1O)CN	107
+c1(C)cc(cc(C)c1Oc2nc(Cl)nc3c2n(cc3)C)C#N	1438
+c1cc(ccc1)Cn2c3c(nc(N)nc3Oc4c(C)cc(cc4C)C#N)cc2	1438
+Cc1cc(cc(C)c1Oc2c3c(nc(Cl)n2)cc[nH]3)C4CC4	1438
+c1c(C)c(c(cc1CC(O)=O)C)O	459
+CC1(C)C2Cc3c(c(sc3C(NCc4cc(C)c(c(c4)C)OCC(O)CO)=O)C)C12	72
+c1(cc(cc(C)c1OC)C=O)C	39
+Cc1cc(cc(C)c1OCC(=O)NN)-c2ncccc2	8817
+c1(C)cc(cc(C)c1OCC(O)=O)-c2nc(O)c3c(OC)cc(OC)cc3n2	748
+Cc1cc(cc(C)c1OCC(NN)=O)Br	561
+Cc1cc(cc(C)c1OCC(O)=O)C=O	4
+Cc1cc(cc(C)c1OCCO)Br	44
+c1(cc(cc(C)c1OCCCC)CC=O)C	1292
+c1c(C)c(c(cc1-c2ccc(cc2)C(O)=O)C)OCCO	11
+c1cc(ccc1Nc2nc(Oc3c(C)cc(cc3C)Br)c(c(C)n2)[N+](=O)[O-])C#N	55
+Cc1cc(cc(C)c1Oc2c3c(cc[nH]3)nc(Nc4ccc(cc4)C#N)n2)C5CC5	744
+Cc1cc(cc(C)c1Oc2ccc(OC)c(Oc3ccccc3)c2)[N+]([O-])=O	472
+c1c(C)c(c(cc1CO)C)Oc2nc(cc(NC(CC)CC)c2C)C	41
+c1(C)cc(cc(C)c1Oc2nnc(Cl)c(C(C)C)c2)CC(=O)O	4
+O=S(=O)(c1c(C)cc(cc1C)C)NC(C)Cc2c[nH]c3ccccc23	71
+c1cc(ccc1COC2CCCCO2)Cc3c(C)nc(nc3OS(=O)(=O)c4c(cc(cc4C)C)C)N	4603
+Cc1cc(cc(C)c1S(=O)(=O)N)Nc2nc(c(Br)cn2)NC(CO)C	55
+Cc1cc(cc(C)c1S(=O)(=O)N2C(COS(=O)(=O)C)CCCC2)OC	7
+Cc1cc(cc(C)c1[N+](=O)[O-])CO	49
+FC(F)(F)C(c1cc(C)c(c(c1)C)[N+](=O)[O-])O	714
+Cc1cc(cc(C)c1[N+](=O)[O-])C=O	39
+c1(C)cc(cc(C)n1)C=O	39
+Cc1cc(CO)cc(c1)C(=O)OC	59
+c1(Oc2cnc(cc2)[N+]([O-])=O)cc(C)cc(NC(c3cc(nn3C)C)=O)c1	706
+c1(cc(C)c(F)c(c1)C(=O)O)-c2cc(F)ccc2	11
+c1(ccc(cc1OCCc2cc(C)ccc2)C(=O)OC)Br	126
+c1(Cc2[nH]nc(NC=C3c4ccccc4NC3=O)c2)cc(ccc1)C	4604
+n1cnc(Nc2cccc(C)c2)cc1Nc3cccc(c3)O	73
+c1c(cc(cc1)Oc2cc(C)ccc2)C=O	304
+Cc1cc(ccc1)OCC(C)N	733
+C(c1cc(C)c(-c2scc(C)n2)cc1)(=O)O	1
+FC(F)(F)S(=O)(=O)Oc1ccc(C(=O)C)c(c1)C	166
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(C)c(CC(=O)OC)cc3)C)c(C(C)C)n2	20
+C1CC(CCC1)N(C(=O)Nc2c(cc(cc2)C(=O)OC)C)c3c4ccccc4nn3-c5ccccc5	1587
+c1c(c(C)cc(c1)OC)-n2c(nc3ccccc23)-c4c(Cl)cccc4	8818
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	331
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(N)=O)n(C)n4	1612
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(O)=O)n(C)n4	6
+c1cc(ccc1OC)Cn2cc(nn2)-c3ccnc(c3)Nc4nc(Br)cc(C)c4	834
+c1c2c(c(F)cc1)CC(C)N2	8819
+c1cc(ccc1Cl)Sc2c3c([nH]c2C)cccc3[N+](=O)[O-]	8820
+c1ccccc1COc2ccc(cc2)-n3c4ccc(F)cc4cc3C	2787
+FC(F)(F)c1oc(CN2c3c(cc(C)cc3)C4(C2=O)COc5cc6c(cc45)OCO6)cc1	8821
+FC(F)(F)C(=O)c1c[nH]c2c1ccc(C)c2	531
+c1(OCC2CO2)c3cc(C)[nH]c3ccc1	3507
+c1ccccc1Cn2c3c(c(ccc3)OC)cc2C	190
+c1(c(ccc(C)c1)-c2cnn(C)c2)C(=O)O	1
+Cc1ccc(c2c1nc[nH]2)C	631
+n1c(N)cc2CCCCn12	899
+c1cc(ccc1F)-n2nc(N)cc2I	899
+c1cc(ccc1)-n2c(cc(N)n2)I	899
+CONCc1ccc(C)c(c1)F	1059
+Cc1cc(Br)c(F)c(C(=O)O)c1	634
+Nc1ccc(C)cc1C#N	0
+Cc1ccc(c(C(=O)N)c1)[N+]([O-])=O	169
+C(c1cc(c(cc1)[N+]([O-])=O)F)(=O)O	820
+O=S(=O)(c1c(ccc(C)c1)[N+]([O-])=O)O	8822
+Cc1ccc(N)cc1-c2ccc(C(=O)CC)cc2C	0
+Cc1ccc([N+]([O-])=O)c(C#N)c1	274
+Nc1c(C(=O)N)cc(C)cc1	0
+Clc1cc(C)c(I)cc1C(=O)O	235
+C(c1ccc(c(Cl)c1)[N+]([O-])=O)(=O)O	820
+c1(c(ccc(c1I)C)C#N)F	1202
+c1(c(c2[nH]cnc2c(C)c1)C)[N+]([O-])=O	8823
+N(O)C(c1cc(c(C)cc1)F)=N	181
+c1(c2[nH]c3CCN(Cc3c2ccc1)C)C=Cc4ccc(C)nc4	8824
+c12ccc(C)c([N+]([O-])=O)c1ccnc2Cl	174
+Cc1ccc2c(ccc(NC(C)=O)n2)c1	4605
+c1cc2c(ccc(C)c2[N+]([O-])=O)nc1Cl	1804
+Nc1c(C)ccc2nc(C)ccc12	0
+C(C)(c1c(c(C)ccc1)I)O	74
+O=C(N)c1cccc(C)c1Br	169
+c1c(CO)c(c(C)cc1)I	49
+c1c(C)c(c(cc1)C)-c2c(c(ccc2)CO)C	98
+c1c(C)c(c(cc1)C)-c2ccc(F)c(CO)n2	453
+Cc1cccc(C)c1-c2nc3c(c(OC)n2)CNCC3	25
+Cc1cccc(C)c1-c2nc3n(cc(CO)cc3)n2	88
+Cc1cccc(C)c1-c2nc3ccc(COC)cn3n2	382
+Cc1cccc(C)c1-c2nn3c(ccc(CCl)c3)n2	447
+c1cc(ccc1OCc2cn3c(cc2)nc(n3)-c4c(C)cccc4C)C(CC(=O)OCC)C#CC	751
+c1(cccc(C)c1CCCO)C	213
+Cc1cccc(C)c1C(CO)CN	51
+Cc1cccc(C)c1COc2c(c(ccc2)CO)C	217
+Cc1cccc(C)c1COc2c(ccc(CC(=O)O)c2)C	3
+Cc1cccc(C)c1COc2c(C)c(ccc2)Cc3nnn[nH]3	420
+Cc1cccc(C)c1COc2cccc(CC#N)c2C	163
+c1(cccc(C)c1N2C(c3ccc(cc3)I)=NCC2)C	8825
+Cc1cccc(C)c1NS(=O)(=O)c2ccc(cc2)C	69
+c1cc(ccc1)C(=O)N(c2c(cccc2C)C)CC(C)Cl	8826
+c1(C)cccc(C)c1N(CC(C)OS(=O)(=O)C)S(=O)(=O)C	7
+C1CN(CCN1)CCC(=O)Nc2c(C)cccc2C	62
+Cc1cccc(C)c1N(CC(C)O)C(c2ccccc2)=O	448
+c1(cc(cc(C)c1NS(=O)(=O)c2ccc(cc2)C)[N+]([O-])=O)C	77
+Cc1ccccc1-c2c(C(=O)O)ccc([N+]([O-])=O)c2	1
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(no3)-c4cc(F)c(C(OC)=O)cc4	529
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(-c4cc(CO)ccc4)no3	529
+Cc1ccccc1-c2c(COC)cc(C(=O)O)cc2	1
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(no3)-c4cc(F)c(cc4)C(=O)O	1
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(no3)-c4cc(c(C(N(CC(=O)OC)C)=O)cc4)F	4171
+Cc1ccccc1-c2c(Cl)cccc2O	5
+Cc1ccccc1-c2c(O)c(CC=C)ccc2Cl	423
+O(C)c1cc(F)c(cc1I)-c2c(C)cccc2	184
+Cc1ccccc1-c2c(ccc(C=CC)c2O)Cl	4606
+Cc1ccccc1-c2c(ccc(N)c2)C(=O)NC(CCSC)C(=O)OC	0
+Cc1ccccc1-c2c(ccc3c2OC(CN)C3)F	18
+c1cc(ccc1S(=O)(=O)OCC2Oc3c(-c4c(cccc4)C)c(F)ccc3C2)C	36
+ClC(Cl)(Cl)C(c1ccc2CN(C(=O)c3ccc(cc3OC)-c4ccccc4C)c5c(Cn12)cccc5)=O	1053
+ClC(Cl)(Cl)C(c1ccc2n1Cc3c(cccc3)N(C(=O)c4cccc(-c5c(cccc5)C)c4)C2)=O	1053
+c1ccccc1COc2ccc(cc2CC=C)-c3ccccc3C	22
+Cc1ccccc1-c2ccnc(c2)C(NO)=N	958
+Cc1ccccc1-c2cc(C=3NOC(=O)N=3)ncc2	1988
+Cc1ccccc1-c2nc(C)sc2C(O)=O	6
+Cc1ccccc1-c2nc(C)sc2NC(c3c4nc(N)ccn4nc3)=O	8827
+c1(C)nc(cc(C)c1)Cl	4466
+c1cc(ccc1Br)Cc2cc(C)c(s2)C	8828
+Cc1n[nH]c2-c3c(ccc(Cl)c3)N(CC(CNC)O)C(c12)=O	747
+Cc1n(C2CCCCO2)nc-3c1C(=O)N(CC(CNC)O)c4ccc(Cl)cc-34	122
+Cc1n(C2CCCCO2)nc-3c1C(N(c4ccc(C#CC=O)cc-34)CC)=O	2628
+Cc1n(C2CCCCO2)nc-3c1C(N(c4ccc(-c5ccc(C=O)s5)cc-34)CC)=O	1373
+Cc1n(c(C)nc1I)-c2ccnc(O)c2	8829
+Cc1n(c(nc1C#Cc2cccc(Cl)c2)C)-c3ccnc(O)c3	4607
+Cc1n(c(nc1C#Cc2cccc(C)c2)C)-c3ccnc(O)c3	4607
+Cc1n(c2c(ccc(c2)O)c1C(NC)=O)CC	5
+Cc1n(C2CCCCO2)nc-3c1C(=O)N(c4ccc(Cl)cc-34)CC5CO5	8830
+Cc1n(nc2c1c(O)nc3ccc(Cl)cc23)C4CCCCO4	2614
+c1cc(ccc1F)COC2=CC(N(c3ccc4c(c(C)n(C)n4)c3)C=C2)=O	8831
+c1cc(ccc1)COC2=CC(N(c3ccc4c(c(C)n(C)n4)c3)C=C2)=O	1614
+Cc1n2c(nc1CO)ccc(Cl)n2	2068
+Cc1c(C=O)nc2n1nc(cc2)Cl	614
+c12c(cc(NC(=O)c3[nH]nc(C)c3C)cn1)cc(I)[nH]2	510
+Cc1c(OC)ccc(-n2c(c(C)c(C)n2)C)c1	1158
+Cc1n(nc2c1c(O)nc3ccc(Cl)cc23)C4OC=CCC4	8832
+Cc1n(nc2c1c(O)nc3ccc(I)cc23)C4CCCCO4	8833
+Cc1c2ccc(cc2n(-c3ccnc(N)n3)n1)Br	2973
+O=S(=O)(C)c1cc2c(C)cn(NC(c3cnc(nc3C)-c4cccc(F)c4)=O)c2cc1	4608
+Cc1nc(-c2cc(F)ccc2)ncc1C(Nn3c4c(cc([N+]([O-])=O)cc4)cc3)=O	4608
+Cc1nc(-c2cc(F)ccc2)ncc1C(=O)O	6
+c1cc(ccc1)C(=O)Nc2ccc3c(c2)ccn3NC(=O)c4c(nc(-c5cccc(F)c5)nc4)C	50
+Cc1nc(-c2cc(F)ccc2)ncc1C(Nn3c4c(cc(N)cc4)cc3)=O	0
+Cc1nc(-c2ccc(C)cc2F)sc1CO	1503
+Cc1nc(-c2ccc(C)cc2F)sc1CCl	8834
+Cc1nc(-n2nnnc2)ccc1C(C)C(=O)O	3
+Cc1nc(nc(c1C)Cl)CCCC	64
+Cc1nc(nc(Cl)c1CC)CCCC	64
+c1cc(ccc1S(=O)(=O)N(C)Cc2c(Cl)c(C(=O)N3CC(C(NCc4onc(C)n4)=O)Oc5ccccc35)sc2)Cl	4609
+Cc1nc(Cl)c(c(NC(C)CO)c1C)[N+]([O-])=O	105
+Cc1nc(Cl)c(c(NCCOCCCc2nccs2)c1C)[N+]([O-])=O	105
+c1ccccc1CN2CCC(CC2)CCNc3c(c(C)nc(c3[N+]([O-])=O)Cl)C	105
+c1cc(ccc1)Oc2c(c(c(c(n2)C)C)NCCCCCO)[N+]([O-])=O	136
+n12nnnc1c(c(NCCCO)c(c2C)C)[N+]([O-])=O	8835
+c1cc(ccc1)Oc2c([N+]([O-])=O)c(NCCOCCCc3cnccc3)c(C)c(n2)C	136
+c1cc(ccc1)Oc2c([N+]([O-])=O)c(NCCOCCCc3sccn3)c(C)c(n2)C	136
+Cc1nc(Cl)c(c(c1Cl)C)C(NO)=N	4610
+Cc1nc(Cl)c(-c2noc(-c3cc(OC)c(O)c([N+]([O-])=O)c3)n2)c(c1Cl)C	8836
+Cc1nc(c(cc1C(=O)OCC)C#N)NC2CCC(C(=O)O)C2	70
+C1CC(CCN1c2c(C#N)cc(C(=O)OCC)c(n2)C)S(=O)(=O)NS(=O)(=O)Cc3ccccc3	43
+c1cc(ccc1)Cc2[nH]c(nn2)C3CCN(CC3)c4c(C#N)cc(C(=O)OCC)c(C)n4	43
+FC(F)(F)c1ccc(cc1)CNc2nc(C)c(c(N)n2)[N+]([O-])=O	96
+c1(nc(N)nc(C)n1)-c2cccnc2F	2234
+n1cc(OC)cc(-c2nc(N)nc(C)n2)c1F	2234
+n1cc(cc(-c2nc(N)nc(C)n2)c1F)OCCOC	2234
+Cc1nc(N)nc(NCCCCC)c1CCCNCc2cc(ccc2)OCC(OC)=O	42
+C(Nc1c(c(nc(N)n1)C)CCCNCc2cc(CC(OC)=O)ccc2)CCCC	42
+c1cc(ccc1CC(=O)O)CC(=O)NCCCc2c(nc(N)nc2C)NCCCCC	9
+O=S(=O)(C)OCCCOc1ccc(Cc2c(C)nc(nc2NC(CCC)CCOC(=O)C)N)c(OC)c1	7
+O=S(=O)(c1cc(c(F)cc1)F)Nc2ccc(N3CCC(C3)N4CCCC4C)nc2C	322
+Cc1nc(N2CCC(N3C(C)CCC3)C2)ccc1N	13
+Cc1nc(c(C(=O)N)cc1-c2csc(n2)C)O	1869
+Cc1nc(O)c(C#N)cc1-c2csc(n2)C	8837
+C1C(CC1O)COc2ccc(c(C)n2)Br	8838
+O(c1c(cc(CC)c(C)n1)C=O)C	200
+Cc1nc(OC)ccc1N=C=S	4611
+Cc1nc(OC)ccc1Nc2nc3c(Cl)ccc(C(=O)OC)c3n2CCCO	8839
+c1(C)nc(OC)ccc1N2CCCn3c4c(c(Cl)ccc4C(=O)OC)nc23	2394
+Cc1nc(OC)ccc1N	13
+Cc1nc(OC)c(CO)cc1CC	295
+c1cc(ccc1)CS(=O)(=O)NC(C2CC(CC2)Nc3c(cc(C(=O)OCC)c(n3)C)C#N)=O	344
+O(c1c(C(=O)O)cc(F)c(C)n1)C	1
+c1cc2c(cc1)c(c(nc2Cl)C)[N+]([O-])=O	137
+Cc1nc(c2ccc(OC)cc2c1Br)Cl	137
+c1cnc(Cl)cc1-n2cc(nc2C)C#Cc3cccc(C)c3	8840
+Cc1nc(cc2c3ccc(O)cc3[nH]c12)O	5
+Cc1nc(ccc1C(Nc2ccc(Cl)c(-c3ncccc3)c2)=O)Cl	246
+Cc1nc(-n2nccc2)ccc1C(Nc3ccc(Cl)c(-c4ncccc4)c3)=O	1706
+Cc1nc(Oc2cccc(c2)CC(OC)=O)ccc1C=O	136
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)Nc2ccc(c(C)n2)COCC)Cl	2165
+Nc1c(cc(Cl)c(C)n1)[N+](=O)[O-]	475
+c1c(C)c(c(cc1)C)-c2ccc(F)c(n2)C	119
+c1(cccc(F)c1-c2ccc([N+](=O)[O-])c(C)n2)F	119
+Cc1nc(ccc1[N+]([O-])=O)CO	453
+O=S(=O)(OCc1nc(C)c(cc1)[N+]([O-])=O)C	7
+Cc1nc(N2CC(NCC2)C)ccc1[N+]([O-])=O	43
+c1(C)nc(nc(C)c1)-c2ccc(cc2)Cl	345
+C1CN(CCC12CCCN(Cc3c(cccc3)-n4nccn4)C2=O)c5nc(C)cc(C)n5	117
+Cc1nc(nc(C)c1)NCCCCCNCCC#N	1287
+Cc1nc(nc(C)c1)NCCCCCN(C(=O)CCCCCCCCCCCCC)CCCN	51
+Cc1nc(nc(C)c1C)Cl	740
+Cc1nc(nc(C)c1OCc2ccccc2)-n3c(ccc3C)C	3916
+c1(ccc(C)n1-c2nc(C)c(c(n2)CCCCCCCCCCOCc3ccccc3)OCc4ccccc4)C	3008
+Cc1nc(nc(N)c1CC)CCCC	266
+Cc1c(c(nc(n1)NCc2ncccc2)Cl)C	8841
+Cc1nc(nc(N)c1C)CCCC	266
+Cc1c(sc(-c2ccc(Cl)cc2OC)n1)C(=O)O	6
+c1cc(ccc1Cn2ccc(-c3sc(C(NCc4cnccc4)=O)c(C)n3)n2)Cl	309
+c1ccccc1C(C)(C)Cn2nc(-c3sc(C(NCc4cnccc4)=O)c(C)n3)cc2	2441
+c1ccccc1Cn2c3C(=O)NC(=O)N(C)c3nc2C	371
+O(C)c1c2c(c(Cl)cc1C(=O)O)[nH]c(C)n2	1
+O=S(=O)(Nc1c2c(c(Br)sc2nc(C)c1C(=O)OCC)C)c3cccc(Cl)c3	69
+Cc1c(C(=O)O)c(c2c(c(Br)sc2n1)-c3cc(ccc3)OC)N	6
+Cc1c(C(=O)O)c(N)c2c(c(sc2n1)C)Br	6
+Cc1nc2c(c(Br)cc(N)c2)[nH]1	0
+c1(c2c(cccc2)ccc1)Cn3c4cc(cc(c4nc3C)[N+]([O-])=O)Br	505
+c1c(cn2c(nc(C)c2C(=O)OCC)c1OCc3c(F)c(ccc3F)F)C	2953
+c1(c2nc(C)c(n2cc(C)c1)C(=O)OCC)OCc3c(c(ccc3F)OC)F	2953
+c12cccnc1NC(C23Cc4c(C3)cc5nc(C=O)ccc5c4)=O	501
+c1c(F)c(F)cc2c1nc(C=Cc3cccc(c3)C=O)cc2	3990
+Cc1nc2ccc(N)c(c2[nH]1)C	0
+FC(F)(F)c1c(cccc1)-c2c(nc3c(c(Cl)ccc3)n2)C	2235
+c1cc(cc(c1)-c2c(C)nc3c(c(Cl)ccc3)n2)F	2235
+Cc1c(nc2c(cccc2Br)n1)F	8842
+Cc1nc2n(nc(-c3cc(Cl)ccc3)c2)c(Cl)c1C(O)C(OC)=O	4612
+c1cc(ccc1CNc2nccn3c2nc(C)c3Br)S(=O)(=O)N	3926
+Cc1nc2nc(SC)ncc2cc1-c3cc(c(cc3Br)F)NC(=O)OC(C)=C	2922
+O(C)c1c(CO)cnc(C)c1Cl	295
+COc1c(Cl)c([n+](cc1C)[O-])C	341
+c1(C)cc(C)c[n+](c1C)[O-]	341
+C(c1cc(C)c(C)nc1)c2c(nc(NCCCCc3c(cc(cn3)Br)C)nc2)O	1898
+Cc1c2c(-c3ccc(Cl)cc3OC2)ccn1	57
+c1(c([n+](ccc1C)[O-])C)CCl	103
+Cc1nccc(C)c1CCl	447
+c1cc(ccc1OC)-n2nc(c3c(cc(nc23)C)C(Nc4c(C)nccc4C)=O)C	487
+c1cc2[nH]c3c(ccnc3C)c2cc1-c4cccc(C#N)c4	11
+O=S(=O)(c1nc(-c2c(-c3ccc(F)cc3F)nc4n2ccnc4C)ccn1)C	528
+Cc1nccn2c(ccc12)C#N	8843
+Cc1nccn2c(ccc12)C(=O)N	2835
+Cc1nccn2c(-c3nc(SC)ncc3)c(nc12)-c4ccc(cc4F)F	4613
+Cc1c(cn(-c2cccnc2)n1)C(=O)O	6
+Cc1nn(C(C)c2cc(Cl)c(c(c2OC)-c3cc(ncc3)C(=O)O)C)c4c1c(ncn4)N	876
+Cc1nn(C(C)c2cc(Cl)c(c(c2OC)-c3cnc(cc3)C(=O)O)C)c4c1c(ncn4)N	876
+FC(F)(F)c1ccc(cc1)-c2c(C)nn(c2-c3ccc4c(c3)NC(CO4)=O)C	800
+FC(F)(F)c1cc(-c2c(-c3cc4NC(COc4cc3)=O)n(nc2C)C)ccc1	800
+Cc1c(CO)cn(n1)-c2c(cccc2F)-c3nccn3C	536
+Cc1nn(C)cc1N2C(Nc3cnc4ccc(cc4c23)Br)=O	8844
+Cc1nn(cc1Nc2c(N)cnc3ccc(cc23)Br)C	13
+c1(cc2n(c(OCc3c(F)c(ccc3F)F)c1)nc(C)c2C(=O)OCC)C	3484
+Cc1nnc(c2ccc(O)cc12)Cl	5
+Cc1nnc(c2ccc(OC)cc12)Cl	218
+c1cc(ccc1C(c2ccc(cc2)F)(Cc3nnnn3C)O)F	8845
+Cc1nnsc1C(=O)c2[nH]c3ccc(Cl)cc3c2CC(=O)O	4
+c1ccccc1Cn2c3ccc(cc3c4c(cc(cc24)-c5c(C)onc5C)C(=O)OC)OC	8846
+Cc1noc(C)c1-c2cc3[nH]cnc3c(I)c2	631
+Cc1noc(C)c1-c2cc(N)c(N)c(I)c2	0
+Cc1noc(C)c1-c2cc(-c3c4cccnc4ccc3C)c5c([nH]cn5)c2	8847
+Cc1noc(C)c1-c2ccc3C(C=C(N(c4ccc(cc4F)F)c3c2)C=O)=O	8848
+Cc1noc(C)c1-c2ccc3C(C=C(CO)N(c4ccc(cc4F)F)c3c2)=O	8849
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccc(-c4cc(c(C)o4)C(OC)=O)cn3)=O)c2	330
+Cc1oc2cc(ccc2c1C(NC)=O)Nc3nc(Cl)ncc3	73
+n1ccc(Oc2cc3oc(C)c(C(NC)=O)c3cc2)nc1Nc4cccc(OC)c4	55
+Cc1oc2cc(Oc3ccnc(n3)Cl)ccc2c1C(NC)=O	185
+Cc1c(COc2nnc(cc2)Cl)c(no1)-c3cc(F)ccc3	485
+Cc1onc(-c2ccc(cn2)F)c1CO	903
+Cc1c(COc2cnc(cc2)C(=O)OC)c(no1)-c3ccc(cn3)F	981
+Cc1onc(-c2ncccc2)c1CO	903
+Cc1c(COc2cnc(cc2)C(=O)OC)c(no1)-c3ncccc3	981
+Cc1onc(-c2cc(F)ccc2)c1CO	903
+Cc1onc(c1CNc2ccc(C(=O)O)cn2)CCCC	1
+c1c(OC)c(c(cc1NC(=O)CN2CCCC(N3c4c(-c5noc(C)c5C3=O)c(ccc4)Cl)C2)OC)OC	1228
+C(Cl)(=O)N1C(C)CCCC1	8850
+Clc1cc(c(c(Cl)c1)Cl)Br	594
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(C)c2F)c1	594
+FC(F)(F)CNc1ncc(Cl)cc1C(=O)OCC	4614
+FC(F)(F)c1cccc(c1)-c2c(C)c(Br)cnc2Cl	1655
+FC(F)(c1ccc(F)c2ccccc12)C(=O)Nc3ccc(Cl)c(CCO)c3F	594
+N#Cc1cc(cnc1Cl)C#N	1655
+C1(C(Nc2c(c(Cl)c(cc2N1)Cl)C#N)=O)=O	594
+Clc1c(c2c(cc1)nc(C)cc2)Cl	8851
+O=S(=O)(Cl)c1cc(C)c(cc1)Cl	929
+O=S(=O)(Cl)c1cc(c(Br)cc1)C#N	929
+O=S(=O)(Cl)c1ccc2nc(ccc2c1)O	929
+Clc1cc(Br)c2c(cccn2)c1	594
+c1(cc(cc(OC)c1Cl)Br)OC	594
+O=S(=O)(c1cc(ccc1)Oc2ccccc2C(C(OC)=O)=COC)Cl	929
+Clc1c(Cl)nc(c(Cl)n1)C(OC)=O	8852
+O=S(=O)(Cl)c1ccccc1OS(=O)(=O)C	929
+O=S1(=O)N=CN(C2CCC2)c3ccc(Cl)cc13	594
+O=S(=O)(Cl)c1cc(C#N)cc(c1)[N+](=O)[O-]	929
+O=S(=O)(c1cc(ccc1)-c2cc(nc(OC)n2)NCCc3ccc(cc3)OC)Cl	929
+c1ccccc1Cc2ccc(cc2)S(=O)(=O)Cl	929
+c1ccccc1CSc2c(c(S(=O)(=O)Cl)cc(C(=S)O)c2)-c3ccccc3	929
+O=S(=O)(c1cnc(cc1)OC)Cl	4553
+Cc1c(nc(-c2cc(ccc2)C#N)o1)CCl	8853
+c1ccccc1-c2nn(c3nnc(-c4ccccc4)c(c23)Cl)CC(O)=O	8854
+c12c(cc(C)c(Cl)c1)OC(C3=C2CCNC3)=O	594
+c1(c(C)c([n+](cc1C)[O-])C)Cl	8855
+c1(C)cc(Br)c(Cl)cc1F	594
+Clc1c(O)ncc(c1)[N+](=O)[O-]	4614
+c1(ccnc(CCl)c1)C(=O)OC	8856
+c1c2c(ccc1OC)c([n+](cc2)[O-])Cl	8857
+c1(cc(cc(C)c1C(C)=O)Cl)C	594
+c1(c(Cl)ccnc1O)-c2nc3c(c(C)cc(c3)Br)[nH]2	8858
+c1cc(ccc1)C(n2c3ccccc3cc2)CCCl	1518
+c1cc(ccc1-c2scc(n2)CSc3c(C#N)c(N4CCCCC4)c(C#N)c(n3)Cl)Cl	1655
+c1cc(ccc1-c2scc(n2)CSc3nc(c(C#N)c(c3C#N)-c4ccccc4)Cl)Cl	1655
+C1CN(CCN1C(=O)OCC)CC(c2ccc(cc2)F)Cl	4562
+c1cc(ccc1F)C(Cl)c2ccc(cc2Cl)Cl	8859
+c1ccccc1-c2cc(C(=O)OCC)c(Cl)[nH]2	8860
+c1cc(ccc1)C(CCCl)O	1518
+c1ccccc1CN2CCc3c(ncnc3C2)Cl	4346
+c1(Cl)sc2c(cnnc2O)n1	8861
+n1c(c2c(C3C(C2)C3)n1-c4nccc(Cl)c4)C(OCC)=O	8862
+c1nc(ncc1C#N)Cl	8863
+c1(cccc(c1)N2c3ccc4c(cccc4)c3NC(CC2=O)=O)C#N	8864
+c1c(c(cc(c1)NC(CC(OC)=O)=O)F)OCc2cccc(F)c2	3486
+O=C(O)CNC(COc1nc(c(Cl)cc1Cl)F)=O	726
+ClC(Cl)(Cl)C(=N)OCc1c(Cl)cc(c(F)c1)Br	1664
+c1ccccc1COC(NC(C(=O)OC)COCC=C)=O	8865
+ClC(Cl)(Cl)C(N1CCN(CC1)c2cc(ccc2OC)S(=O)(=O)Nc3c(c(cc(c3)Cl)Cl)OC)=O	69
+c1cc(ccc1OC)C(c2cc3c(nc(nc3cc2)O)-c4cccc(Cl)c4)=O	3009
+C(C)OC(=O)c1cc(n2CCOCc12)C(=O)O	8866
+FC(F)Cn1c(c([N+]([O-])=O)cn1)Cl	2706
+c1cc(ccc1F)-c2cnc(Cl)o2	2138
+c1(Cl)n(C)ncc1[N+](=O)[O-]	2706
+c1(-c2cc(F)c(cc2)C#N)cnc(Cl)o1	2138
+ClC(Cl)(Cl)C(Nc1c(cc(cc1)Br)C(c2cc(ccc2)Cl)=O)=O	26
+ClC(Cl)(Cl)C(Nc1ccc(cc1C(c2cc(Cl)ccc2)=O)C(c3cnc(cc3)Cl)(O)c4n(cnc4)C)=O	26
+ClC(Cl)(Cl)C(c1c[nH]c(C#N)c1)=O	432
+ClC(Cl)(Cl)C(Nc1cccc(OC)c1C=O)=O	26
+ClC(Cl)(Cl)C(=O)c1cc(C(C)=O)[nH]c1	432
+ClC(Cl)(Cl)C(c1ccc2n1Cc3c(N(C2)S(=O)(=O)c4ccc(cc4)Br)cccc3)=O	1053
+ClC(Cl)(Cl)C(c1ccc2CN(C(c3ccc(cc3)C4CCCCC4)=O)c5ccccc5Cn12)=O	1053
+ClC(Cl)(Cl)C(=O)Nc1ccc(C(c2ccc(cc2)OC)=O)cc1C(=O)c3cccc(Cl)c3	26
+ClC(Cl)(Cl)C(c1ccc2CN(c3ccccc3Cn12)C(c4ccc(cc4)C=5CCCCC=5C)=O)=O	1053
+ClC(Cl)(Cl)C(c1[nH]ccc1)=O	1053
+ClC(Cl)(Cl)c1onc(Cc2ccccc2)n1	2750
+c1cc(ccc1)COCC2CC(=O)C2(Cl)Cl	2747
+ClC(Cl)(Cl)C(c1n(ccc1)-c2cc(ccc2)C(OC)=O)=O	1053
+C1CNCCN1c2c(OC)ccc(S(=O)(=O)Nc3c(c(cc(c3)Cl)Cl)OC)c2	8867
+ClC(Cl)(Cl)C(NC(Nc1c(ccs1)C(OC)=O)=O)=O	8868
+c1cc(ccc1COC(N2C(C(=O)N3CCN(CC3)CCOC(=O)N)CC(C2)SCc4ccc(cc4)OC)=O)[N+](=O)[O-]	4615
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CCCOC(=O)N)CC3	4615
+CC(C)(NS(=O)(=O)C)Cn1c2c(nc1COCC)c([n+](c3ccc(OCc4ccccc4)cc23)[O-])N	2885
+c1ccccc1COc2ccc3[n+]([O-])c(N)c4c(n(C)c(n4)CC)c3c2	2885
+C(N)(=O)Nc1sc(Br)cc1C(=O)OC	8869
+Clc1cccc(c1)-c2c3c(ccc(c3)Br)nc(n2)O	3009
+Clc1cccc(-c2nc(nc3c2cc(C(c4n(cnc4)C)(c5cnc(Cl)cc5)O)cc3)O)c1	3009
+N(C(C=NO)=O)c1c(Cl)cc(cc1)F	1048
+N(C(=O)C=NO)c1ccc2CCCc2c1	1048
+c1c(Cl)c(ccc1NC(C=NO)=O)C(=O)O	1048
+N(C(C=NO)=O)c1cccc(Cl)c1C	1048
+c1(cc(NC(C=NO)=O)ccc1)Br	1048
+c1c(cc(c(NC(C=NO)=O)c1)CC)Br	1048
+c1cc(ccc1F)NC(C=NO)=O	1048
+c1cc(ccc1Br)COCC(C(=O)OC)C	1476
+ClC(Cl)(Cl)C(c1cc(c[nH]1)I)=O	4616
+c1cc(ccc1Br)S(=O)(=O)N2c3ccccc3Cn4c(C2)ccc4C(=O)NCc5cnccc5	4617
+Cc1ccccc1-c2cc(ccc2)C(=O)N3Cc4ccc(C(NCc5cnccc5)=O)n4Cc6c3cccc6	4617
+c1cc(ccc1)COC(=O)c2n(-c3cc(C(OC)=O)ccc3)ccc2	4544
+ClC(Cl)(Cl)COC(=O)N1C2Cc3ccc(cc3C4(CC1)CCCCC24)C(=O)C	1142
+ClC(Cl)(Cl)COC(=O)Nc1cnn(-c2ccc(cc2)C)c1	8870
+ClC(Cl)(Cl)COC(=O)Nc1ccc(cc1)C(N(C)C)=O	90
+C12CCCCC13CCNC2Cc4ccc(C(=O)C)cc34	4618
+ClC(Cl)(Cl)COC(=O)Nc1cc(C(C)(C)C#N)nn1-c2cccc(c2)OCCO	168
+CN(C)C(=O)c1ccc(cc1)NC(=O)Nc2ccc(Br)c(F)c2	8871
+C1CN(CCN1c2ncnc(-c3ccc(cc3)F)c2)C(Nc4cnccc4)=O	2076
+C1CNCCC1=C2c3c(CCc4cc(ccc24)C#N)cccn3	4618
+O(CCCl)Cn1c2ncccc2nc1	1883
+c1(OC)cc(F)cc(c1)CCl	1331
+c1c(c(c(cc1)OC)F)CCl	1331
+c1cc(ccc1)COc2c3ccccc3cc(c2)CCl	1331
+c1cc(ccc1Cl)C(=CC2C(C)(C)C2C(=O)Cl)Br	8872
+c1cc(ccc1)-c2ccc(C)c(CCl)c2	1331
+FC(F)(F)Oc1ccc(cc1S(=O)(=O)C)N=C=O	1044
+C(=O)=Nc1c2OCCCc2c(Cl)cc1F	1044
+N1C(=O)OC(c2cccc(F)c12)=O	2081
+c1([N+]([O-])=O)ccc(N=C=O)c(C)c1	1044
+c1cc(ccc1)CN2CCN(CC2)c3ccc4c(C(OC(=O)N4)=O)c3	2081
+c1cc(ccc1F)COc2cc(c(N=C=O)cc2)F	1044
+c1cccc(c1OCC(OCC)=O)Oc2c(Cl)cc(F)c(N=C=O)c2	1044
+ClCCN(CCCl)c1ccc(cc1)N=C=O	861
+c1cc(c(cc1C2CN(C(=O)Cl)CC2C(C)Oc3ncc(cc3)Cl)Cl)Cl	8873
+FC(F)(F)C=1N(C(N(c2c(N=C=O)c(c(Cl)cc2F)C)C(C=1)=O)=O)C	861
+FC(F)(F)Oc1c(F)cc(cc1)C(NC(=O)c2nc3NC(Oc3cc2)=O)c4ncccc4F	8874
+FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(C)c(N3C(c4c(nc(SC)nc4)NC3=O)=O)c2	8875
+FC(F)(F)c1ccc(-c2c3c(ncn2)N(c4ccc(cc4)OC)C(N3)=O)c(F)c1	4619
+FC(F)(F)c1cc2NC(N(c3cc(CC)c(cc3OC)OC)c2cc1)=O	8876
+FC(F)(F)c1nc(NC(Nc2c3cc(ccc3ncc2)Br)=O)ccc1	8877
+c1cc(ccc1C(OC)=O)CNC(N2C(C)CN(c3ccc(c(Cl)c3)C#N)C(C)C2)=O	8878
+C1CN(CCO1)c2c3ccn(CCN(C)C)c3nc(n2)-c4ccc(cc4)NC(=O)NC	675
+N1c2c(C(=O)O)c(F)ccc2OC1=O	8879
+N1c2cc(ccc2C(N(C1=O)c3c(c(Br)ccc3)C)=O)F	1061
+N1c2cc(OC)ccc2C(N(C1=O)c3c(c(Br)ccc3)C)=O	1061
+c1(ccc(cc1Cl)C(=O)OC)N=C=O	861
+c1cc(OC)cc2c1NC(=O)OC2=O	1754
+c1(c(Br)cccc1N=C=O)C	861
+N1C(=O)N(Cc2c1cccc2Br)C	8880
+c1c2c(C(=O)OC(N2)=O)c(Cl)cc1	1754
+c1(ncccc1)C2(N3C(Nc4cccc(OC2)c34)=O)C(=O)N	8881
+COc1c(c(c(c2C(=O)OC(Nc12)=O)C)I)F	1754
+O=S(=O)(C)c1ccc2C(OC(=O)Nc2c1)=O	8882
+c1c(c(F)c(F)c(N=C=O)c1I)C	861
+c1(F)cc(cc(F)c1F)NC(Nc2cccc(Nc3ccc4CC(Nc4c3)=O)c2)=O	8883
+c12c(cccc1Br)C(=O)N(CC)C(=O)N2	8884
+Fc1ccc(NC(Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(OC)c4)OC)=O)c(C)c1	1680
+O=C1Nc2c(c(OC)cc(OC)c2)C(=O)O1	1754
+O=C1c2c(c(ccc2)Cl)NC(N1c3c(C)c(ccc3)Br)=O	1061
+c1c(F)c2c(cc1F)C(N(C(=O)N2)c3c(c(Br)ccc3)C)=O	1061
+O=C1c2c(c(F)ccc2)NC(N1c3c(C)c(ccc3)Br)=O	1061
+O=C1N(C(Nc2c(cccc12)C)=O)c3c(C)c(ccc3)Br	1061
+c1c(cc(c(c1)N=C=O)Cl)Br	861
+c1cc2c(cc1I)C(=O)OC(N2)=O	1754
+c1c2c(nc(Cl)c1)N(c3cc(c(OC)cc3Cl)OCc4c(F)c(ccc4OC)F)C(=O)N2	8885
+c1c(I)cc2N(C(=O)OC(=O)c2c1)CC	8886
+c1ccccc1-c2c(N=C=O)cc(Br)cc2	861
+c1cc(ccc1)C#Cc2ncc(N3C(=O)OC(C)(C)CC3)nc2	8887
+c1ccccc1CN(Cc2ccccc2)c3c4c(ncn3)N(C(=O)N4)c5cccc(NC(OC(C)(C)C)=O)c5	4619
+c1cc(ccc1C2=C(C=3N(C(NN=3)=O)C=C2)Cl)C	8888
+c1cc(ccc1F)NC(Nc2ccc(cc2)-c3nc(c4c(n(CC)nn4)n3)N5CCOCC5C)=O	1680
+C1CN(CCO1)c2nc(nc3n(CC(OC)OC)ccc23)-c4ccc(cc4)NC(=O)Nc5ccncc5	1680
+c1cc(ccc1CC(OCC)=O)N2C(c3c(cccc3)NC2=O)=O	1061
+c1cc(ccc1Oc2cc3c(COC3)cc2)N4C(=O)NC(C)C4=O	8889
+O=C1c2c(cccc2)NC(N1c3c(C)c(ccc3)Br)=O	1061
+c1ccccc1CCCOC(Cl)=O	8890
+c1cc(ccc1)CON2C3CN(C(C(OCC)=O)CC3)C2=O	8891
+c1ccccc1CSc2nc(Cl)c3NC(=O)Nc3n2	8892
+n1cc(cnc1Oc2ccc(c3c2C4(CC4)CO3)C)N5C(C(NC5=O)CC)=O	4620
+CC1(C)COc2cccc(Oc3ncc(cn3)N4C(C(C)(C)NC4=O)=O)c12	4620
+ClC(Cl)(Sc1cn(CCl)c2c1cccc2)F	8893
+FC(F)(F)CCC(C#N)(C#N)Cn1c2ccccc2c(SC(Cl)(Cl)F)c1	8894
+ClC(Cl)=C(Cl)c1cc(CN=[N+]=[N-])cc(C)c1	545
+ClC(Cl)=C(c1cc(c(cc1)CN)O)Cl	2886
+ClC(Cl)=C(c1cc(cc(C(=C(Cl)Cl)Cl)c1)CN=[N+]=[N-])Cl	545
+ClC(Cl)=C(Cl)c1cc(O)ccc1	5
+ClC(Cl)=C(c1cc(cc(C(=C(Cl)Cl)Cl)c1)Cn2c(c(C(=O)N)nn2)N)Cl	4621
+ClC(Cl)=CC1C(C)(C)C1C(=O)OCc2cccc(-c3oc(cc3)Br)c2	1699
+ClC(Cl)=CCOc1cc(c(OCOC)c(c1)Cl)C	4622
+FC(F)(F)c1ccc(OCCCOc2c(cc(cc2I)OCC=C(Cl)Cl)Cl)nc1	4622
+Clc1cc(cc(Cl)c1OCCCCOCC=NOCC=C(Cl)Cl)OCC=C(Cl)Cl	410
+ClC(Cl)=CCOc1cc(CC)c(c(c1)CC)OCCCCOCC=NOCc2ccccc2	2236
+ClC(Cl)=CCOc1cc(CC)c(c(c1)CC)OCCCCOCC=NO	410
+FC(F)(F)c1cnc(cc1)OCCCON=C(C)COc2c(cc(cc2Cl)OCC=C(Cl)Cl)Cl	350
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)C#N)OCC=C(Cl)Cl)Cl	262
+Clc1cc(c2NC(=O)OC(=O)c2c1)Br	8895
+Clc1ccc(c([N+]([O-])=O)c1)CCOC(=O)Cl	2701
+Clc1ccc(CCN2C(Nc3c(ccc([N+]([O-])=O)c3)C2=O)=O)c(Cl)c1	8896
+Clc1ccc(c(Cl)c1)OC(c2sc(nn2)N=C=O)C	775
+FC(F)(C)CC(N=C=O)C(=O)OC	8897
+FC(F)(F)c1ccc(-c2c(ccc(c2)CC(OCC)=O)OC)c(CN(CC)C(NCc3ccc(cc3)Cl)=O)c1	8898
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)N=C=O	930
+c1ccc(F)c2c1C(CCO2)N3C(=O)Nc4c(nc(N)nc34)Cl	3716
+c1(N=C=O)cccc2cnc(cc12)C	930
+c1cncc2cccc(c12)N=C=O	930
+O=C=Nc1nnc(C)s1	775
+O=C=Nc1nnc(s1)SC	775
+C=CCc1nnc(N=C=O)s1	775
+ClCc1nnc(N=C=O)s1	775
+c1ccccc1S(=O)(=O)c2cc3OCCN(C(=O)Cl)c3cc2	8899
+O=S(=O)(C)c1sc(N=C=O)nn1	775
+S(C)c1cc(c(cc1Cl)Br)N=C=O	930
+c1c(-c2cnc(-c3ncc[nH]3)cc2)ccc4OCCN(Cc14)C(=O)Cl	2703
+c1(N=C=O)sc(C(C)Oc2cc(c(Cl)cc2)Cl)nn1	775
+c1c(Cl)c(c(cc1N=C=O)Cl)Oc2c(cc(OC(F)F)cn2)Cl	930
+c1c(c(cc(c1)-c2nsc3ccc(N=C=O)cc23)C)OC	930
+c1(cc(cc(Cl)c1)OC2CCN(C(=O)Cl)C2)Cl	8900
+c1cc(ccc1COC(Cl)=O)F	2701
+c1cc(ccc1N=C=O)Oc2cc(Cl)ncn2	930
+c1cc(ccc1N=C=O)OCCOCCOCCOC	930
+c1cc(ccc1Cl)SC2CN(C2)C(=O)Cl	8901
+c1ccccc1CCCc2cc(ccc2)N=C=O	930
+c1cc(ccc1)N2C(N(CC2)C3CCN(CC3)Cc4ccccc4)=O	8902
+c1ccccc1CON2c3cc(ccc3N=C(Cl)C2=O)-n4cncc4	8903
+c1ccccc1COc2ccccc2CN=C=O	8904
+c1cc(ccc1)CSc2nc3NC(=O)N(c4c(cccc4)Cl)Cc3cn2	8905
+c1cc(ccc1)N(c2cc(C)cc(C)c2)C(=O)Cl	8906
+c1(cc(cc(Cl)c1C#N)N=C=S)Cl	333
+FC(F)(F)COc1ccc(cc1)N=C=S	333
+FC(F)(F)Oc1ccc(cc1N=C=S)S(=O)(=O)N	333
+FC(F)(F)c1c(c(Cl)cc(N=C=S)c1)-c2ccc(cc2)S(=O)(=O)N3CCOCC3	333
+FC(F)(F)c1c(ccc(N=C=S)c1)C#N	333
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)N=C=S)Cl	333
+FC(F)(F)c1cc(ccc1)N=C=S	333
+S=C1N(CCCN1c2c(Cl)cccc2C)CC	8907
+N(=C=S)c1c(Cl)cccc1C	333
+Clc1ccc(N=C=S)cc1-c2c(cncc2)F	333
+c1(N=C=S)c(c(F)ccc1)F	333
+OB(O)c1cc(cc(C(O)=O)c1)N=C=S	333
+c1(C)cc(OC)ncc1N=C=S	4611
+CCC(N=C=S)(CCO)c1c(F)ccc([N+]([O-])=O)c1	8908
+N(=C=S)c1c(c(ccc1Cl)OC)Cl	333
+c1cc(OC)c(N=C=S)cc1Br	333
+c1cc(ccc1OCCn2cncc2)N=C=S	333
+c1cc(ccc1CC(=O)OC)Oc2cc(N=C=S)ccc2	333
+c1cc(ccc1N=C=S)S(=O)(=O)N	333
+c1cc(ccc1)-c2c(N=C=S)ccc(C)c2	333
+CC1(C)C(C(C(Cl)Cl)O)C1C(OCC)=O	100
+c1ccccc1C2(C)c3cc(C4CCCCC4)ccc3OC(O2)C(O)=O	8909
+ClC(Cl)C(CC(c1cc(F)c(cc1)OC)=O)=O	8910
+ClC(Cl)C(=O)NC(CF)C(O)c1ccc(cc1)I	271
+c1cc(ccc1-n2c(-c3ccc(c(F)c3)OC)cc(C(Cl)Cl)n2)S(=O)(=O)N	4623
+Clc1c(Cl)cc(c([N+](=O)[O-])c1)NCCCCl	1307
+N=1c2ccccc2C(N(CCCl)C=1CC)=O	1307
+O=Cc1c(O)c(Cl)ccc1	3010
+c1ccccc1Cc2cc(C=O)c(O)cc2	3010
+c1ccccc1Oc2cc(C=O)c(cc2)O	3010
+O(C)c1cc(cc(OC)c1OC)-c2nccc(c2)CCl	2164
+c1(nc(Cl)ccc1)CCl	8911
+ClC1(Cl)CC1(C)CCOc2ccc([N+](=O)[O-])cc2Cl	8912
+c1cc(ccc1)-c2c(C)nn(-c3ccc(cc3)CCCl)c2C	1307
+c1cc(ccc1CCl)-c2nc(COC(c3ccccc3)=O)sc2	2164
+c1cc(ccc1)COC(N2CCOC(CCCl)C2)=O	1307
+c1cc(ccc1N2C(=O)CCc3ccccc23)C(=O)Cl	8913
+O=Cc1cc(c(OC)c(Cl)c1Cl)OC	4624
+c12c(CCC1Cc3nc[nH]c3)cc(c(c2)C=O)OC	4624
+c1(cc(F)c2c(c1OC)cccc2)C=O	582
+c1(OC)cc(c(C=O)c(Oc2c(cc(c(C)c2OC)OC)C(OC)=O)c1)C	582
+O=Cc1c(OC)cc(C)c(F)c1	582
+c1c(c(c(F)c(c1)C=O)Br)OC	582
+c1c(cc2ccc(OC)c(C=O)c2c1)Br	582
+c1(cc(O)c2ccccc2c1C=O)C	582
+c1cc(ccc1)-c2cc3ncnc(Nc4ccc5[nH]cc(C=O)c5c4)c3s2	4625
+c1cc(ccc1-n2c(cc(C=O)c2)C#N)C(=O)OCC	4625
+C1CC1(C#N)c2cc(c(cc2)OC)C=O	582
+c1cc(ccc1S(=O)(=O)NCC2Cc3c(cc(C=O)cc3)C2)Cl	582
+O=Cc1ccc(c2c(C)cccc12)O	582
+c1c(ccc(OC)c1Sc2ccccc2C(OC)=O)C=O	582
+O=Cc1c(cccc1)CCCCCCC	582
+c1ccccc1COc2ccc(C=O)cc2CC	582
+FC(F)(F)C1(ON=C(C1)c2ccc(C(O)=O)c(c2)C)c3cc(Cl)c(c(Cl)c3)F	1423
+o1nc(-c2cc(F)ccc2)c(c1N)C(=O)OC	8914
+C1C(CC1=O)CCC(=O)OCC	2744
+CC1(C)C(Cl)(Cl)C1CC#N	677
+c12c(ccc(OC)c1)CCC(Cl)C(=O)N2	4626
+C12CC(=O)CC1C(CC2)CCCCC(CC)OC	8915
+ClC1(Cl)CC1(C)C(=O)Cl	130
+ClC1(Cl)CC1(C)CCOc2ccc(N)cc2Cl	0
+c1c2NC(C(Cl)CCc2c3ccccc3c1)=O	4626
+c1cc(ccc1OC)COC=2C(N(C)C(=NC=2)Cl)=O	8916
+Clc1ccc(C=Cc2occ(n2)CCl)cc1F	2237
+Clc1cn2cc(nc2c(Cl)c1)CCl	1261
+FC(F)(F)c1ccc(cc1)C=Cc2occ(n2)CCl	2237
+FC1(F)Oc2c(cc(cc2)C=Cc3occ(CCl)n3)O1	2237
+c1(c(Br)sc(-c2occ(CCl)n2)c1)C	8917
+c1cccn2cc(nc12)CCl	1261
+n1c(cn2nc(cnc12)-c3ccc(cc3F)F)CCl	8918
+c1c(ccc(C=Cc2occ(n2)CCl)c1F)F	2237
+c1c2nc(cn2c(cc1)F)CCl	1261
+c1cc(ccc1-c2nc(co2)CCl)Cl	4627
+c1cc(ccc1N2C(=O)n3c(nc(c3)CCl)C=C2)F	8919
+n1c(-c2nc(cs2)CCl)c3n(-c4ccccc4C(N(C)C3)=O)c1	2381
+c1ccccc1COc2ccc(cc2)-c3occ(n3)CCl	4627
+c1nc(-c2scc(n2)CCl)c3CN(C(c4c(ccc(c4Cl)F)-n13)=O)C	2381
+ClCC(CCl)Oc1c(cccc1)[N+]([O-])=O	57
+O=S(=O)(c1[nH]nc2c(OC(CCl)CCl)cccc12)c3cccc4ccccc34	1025
+O=S(=O)(c1c2c(ccc1)cccc2)Cc3cccc(c3[N+](=O)[O-])OC(CCl)CCl	1177
+O=C1c2c(N=C(N1c3ccc(c(c3)Cl)Cl)SCC(=O)NC4c5c(CC4)cccc5)cccc2	8920
+C1=CCC(C1)(C(=O)OC)c2cc(F)cc(OC)c2	8921
+c1([N+]([O-])=O)cccc(OCCCl)c1N	72
+C1CN(CCN1C)c2cc3c(cc2)c4cc(Br)cc(C(N)=O)c4[nH]3	386
+C1CN(CCC12C(=O)Nc3cccc(Br)c23)Cc4ccccc4	4628
+c1cc(ccc1)CN2CCC3(CC2)c4ccncc4NC3=O	4628
+C1CN(CCO1)c2cc(nc(Cl)n2)C3(CCN(CC3)Cc4ccccc4)S(=O)(=O)C	3772
+Clc1c(C(OC)=O)cc(c(Cl)n1)F	1170
+Clc1ccc2c(c(C(OC)=O)[nH]c2c1)NCC(c3ccc(F)c(F)c3)=O	8922
+O=S(=O)(C)NN1C(=O)Nc2cc(c(cc2C1=O)-c3ccnn3C)C(F)(F)C	8923
+FC(F)(F)COc1nc(ccc1)CCl	515
+FC(F)(F)c1c(C)n2nc(ccc2n1)CCl	515
+FC(F)(F)c1c(C)nc(cc1)Oc2cc(ccc2)CCl	229
+FC(F)(F)c1c(Cl)ccc(Oc2ccc(cc2C#N)CCl)c1	229
+FC(F)(F)c1c(F)ccc(Oc2ccc(cc2C#N)CCl)c1	229
+FC(F)(F)c1c(Br)cn(CCl)n1	8924
+FC(F)(F)c1cc(Oc2ccc(cc2)CCl)ccc1Cl	229
+FC(F)(F)c1ccc(Oc2cc(CCl)cc(c2)C)nc1	229
+FC(F)(F)c1ccc(cc1)-c2cc(CCl)cnc2	1045
+FC(F)(F)c1ccc(cc1)-c2sc(CCl)c(n2)CCCOCc3ccccc3	2814
+FC(F)Oc1ccc(CCl)cc1OC	229
+CC(C)n1nccc1-c2cc3C(N(C(=O)Nc3cc2C(F)F)NS(=O)(=O)C)=O	8925
+O=S(=O)(CCC)N(S(=O)(=O)CCC)c1c(c(c(c(c1)F)F)C(c2ccc3ncc(nc3c2)Cl)=O)F	8926
+N1(CC=C(C)c2cccc(c12)CCl)C	229
+NC(N)=Nc1nc(cs1)-c2cccc(n2)CCl	515
+O(C)c1c(C(Cl)C)cc(Cl)c(C)c1Br	4629
+O(C)c1cnc(c(Cl)n1)CCl	1736
+O(c1c(Cl)ncc(CCl)c1)C	1045
+O(c1cccc(c1)CCl)c2ncc(C)cc2	229
+c1c(cc2CCC(Oc2c1)C3CO3)F	8927
+O=S(=O)(NCc1cnccc1)c2cccc(c2)C=CC(Cl)=O	1755
+O=S(=O)(Nc1c2c(ccc1)cccc2)c3cccc(C=CC(=O)Cl)c3	1755
+O=S(=O)(Nc1ccccc1OC)c2cc(C=CC(=O)Cl)ccc2	1755
+O=S(=O)(c1cccc(C=CC(=O)Cl)c1)Nc2ccc3c(cccc3)c2	1755
+O=S1(=O)Nc2ccccc2CN1CCCCl	723
+c1(ccc(C)c(n1)C#N)CCl	515
+ClCc1ccc(cn1)C(=O)OC	515
+c1(C)cccc(C)c1CNc2cccn3c2nc(CCl)c3C	1736
+c1(CC)c(ccc(CCl)c1)Br	229
+c1(CCl)sc(NC(=O)C)nc1	2814
+COc1cc(cc(OC)c1OC)-c2ncnc(CCl)c2	515
+c1(c(c(Cl)ccc1)C(=O)OC)[N+]([O-])=O	1170
+c12c(c(Cl)ccc1)nc(-c3c(cccc3)F)c(CCl)c2	1045
+c1(CCl)cccnc1N2CC(CC2)F	1045
+c1(CCl)ccnc(Cl)c1C	229
+ClCc1n(C)nc(CC)c1Cl	515
+c1cccn2c1nc(CCl)c2CCC	1736
+C(Cl)c1cnc2c(c1)nc(s2)-c3c([N+]([O-])=O)cccc3	1045
+ClCc1nc2c(cc3c(c2)CC4(c5cccnc5NC4=O)C3)cc1	515
+c1ccc2CCCN(C)c2c1CCl	229
+Clc1cncc(Cl)c1CCl	229
+c1(cc(cc(Cl)c1)C(C)(C)C(=O)Cl)Cl	4265
+c1c(OC)c(Cl)ccc1CCl	229
+c1c(c(cc(c1Br)C#N)[N+]([O-])=O)N(C(C)CCl)C	723
+c1c(cc(N)c(c1)N(C)CCCl)Br	723
+c1(C(=O)OC)c(cc(cc1F)F)NC(=O)Cc2ccc3OCOc3c2	1170
+c1c(cnc(c1F)CCl)F	515
+c1c(ncc(-c2c(c(Cl)cc(c2OC)C(Cl)C)C)c1)C#N	4629
+c1cc(ncc1F)CCl	515
+c1ccccc1-c2c(c(C(OC)=O)c3c(cccc3)n2)C	1170
+c1cc(ccc1)-c2cc(cc3cc(ccc23)O)CCl	229
+c1cc(ccc1)C(=O)N2CCN(CC2)c3ccc(c(NCc4ccccc4)c3)C(OC)=O	1170
+c1cc(ccc1)C=CS(=O)(=O)Nc2cccc(c2)C=CC(=O)Cl	1755
+c1cc(ccc1)COC(=O)Nc2cc([N+]([O-])=O)c(c3ccccc23)CCCl	723
+c1cc(ccc1)N(C(C)C)CCCl	723
+c1cc(ccc1CCl)-c2nccnc2NS(=O)(=O)c3ccccc3Cl	229
+c1cc(ccc1CCl)-n2cc(cc2C#N)C=C	229
+c1cc(ccc1C#C)CCl	229
+c1cc(ccc1C#CC#N)C(=O)Cl	4630
+c1cc(ccc1C(=O)CNC(OCc2ccccc2)=O)C(Cl)=O	4630
+c1cc(ccc1CC(OC)=O)CCc2nc(NC(=O)C)sc2	3979
+c1cc(ccc1SC)CCl	229
+c1cc(ccc1SCCCCl)NC(=O)C	723
+c1cc(nnc1C(=O)OC)Cl	1170
+c1ccc2CN(Cc2c1)C(=O)c3c4cc(ccc4nc(n3)N)-c5cc(ccc5CCl)F	229
+c1cc(ccc1-n2c(nc(-c3c(noc3C)-c4ccccc4)c2)CCl)[N+]([O-])=O	8928
+c1cc(ccc1N(CC)CCCl)Nc2ncnc(c2)-c3cc(ccc3)-c4ccccc4	723
+c1ccccc1COc2nc(C)cc(C)c2CCl	1045
+c1ccccc1COc2c(OC)c(F)cc(CCl)c2	229
+c1ccccc1COc2ccc(-c3c(OC)ccc(c3)C(C)C)c(CCl)c2	229
+c1ccccc1N2C(C(=C(C)N2C)C(=O)OC)=O	8929
+c1ccccc1NC(Nc2ccc(cc2)CCl)=O	229
+c1ccccc1Sc2ccc(cc2C)CCl	229
+c1nc2ccc(SCCCSc3c(c(ncc3)CCl)C)nn2c1[N+]([O-])=O	515
+n1c(Nc2cc(cc(Cl)n2)CCl)sc(c1)C#N	229
+ClCc1c(nc(OC)cn1)OC	1736
+c1cc(ccc1)C(c2ccccc2)N3C(C4(COc5c4cc(OC)nc5)c6c3cccc6)=O	8930
+c1cc(ccc1)C(c2ccccc2)N3c4c(C5(COc6c5cc(c(c6)F)F)C3=O)cccc4	8931
+c1(-c2nc(F)ccc2)n(Cc3ncc(nc3OC)OC)ccn1	2238
+c1csc(-c2nccn2Cc3ncc(nc3OC)OC)n1	2238
+Oc1c(C(=O)C)cc(CC#N)cc1Br	177
+FC(F)(F)COc1nc(nc(CCl)c1)N	145
+ClCc1nc(N)nc(Cl)c1	64
+ClCc1nc(nc(Cl)c1)-c2ncccc2	64
+c1(ccc(Cl)cc1-c2c(c3c(nc(nc3cc2)N)N)Cl)OCc4ncccc4	412
+CNCc1ncccc1	1279
+c1c(c(Cl)cc([N+]([O-])=O)c1)OCc2ncccc2	412
+n1n(Cc2ncccc2)c3ccc([N+]([O-])=O)cc3c1	4631
+c1(cccc(F)c1NC(=O)c2oc(Cc3cc(ccc3OCc4ccccn4)Cl)cc2)F	412
+c12c(cc(cc1)Nc3ncnc4cccc(F)c34)ccn2Cc5ncccc5	8932
+c1cc(ccc1OCc2ccccn2)C(OCC)=O	412
+c1ccccc1CCOc2ccc(cc2OCc3ccccn3)C=O	412
+CC(C)Oc1c(Cl)cc(c(N2C(=O)C3=C(C2=O)CCCC3)c1)F	1550
+O=S(=O)(C)Nc1cc(NC(=O)OCC)c(F)cc1Cl	1550
+O=S(=O)(C)Oc1c(Cl)cc(c(-n2c(C)c(Cl)c(n2)C)c1)F	8933
+c1(ccccc1C2=NC(C(=O)N(C)c3ccc(N)c(c23)Cl)C)F	1550
+c1c(C)cc(Cl)c(N)c1[N+]([O-])=O	1550
+Nc1ncc(Cl)cc1I	4632
+FC(F)(F)C(=O)NCCc1c(ccc(c1)OC)I	694
+FC(F)(F)c1cc(c(N)c(I)c1)Cl	694
+c1(I)c(N)ncc(Cl)c1Br	4632
+O=Cc1c(cc(c(I)c1)OC)OC	694
+O=S(=O)(c1cc(ccc1N)I)N	694
+C(c1c(ccc(I)c1)N)(=O)c2ccccc2Cl	694
+Nc1c(C)cc(I)cc1[N+]([O-])=O	694
+Cc1c(c(nc(n1)N)N)I	2906
+c1c([N+]([O-])=O)cc([N+]([O-])=O)c(Sc2ccc(I)cc2NC(C)=O)c1	694
+c1cc(ccc1Cl)-c2cn3c(cnc3c(c2)C)I	8934
+c1(N)ccc(-c2sc3cc(OC)ccc3n2)cc1I	694
+c1c(cc(c(N)c1)C#N)I	694
+c1(Cl)nc(nc(c1I)N)C	2906
+c1c(c2c(sc(NC(c3sc(C)cc3)=O)n2)c(I)c1)OC	8935
+FC(F)(F)C(CCCCCCCC)(C(Cl)=O)F	4633
+O=S(=O)(c1nccn1CC(Cl)=O)C	4633
+c1cc(ccc1Cc2ccc(cc2)[N+]([O-])=O)CS(=O)(=O)Cl	8936
+O=S(=O)(c1ccccc1Cc2c(n(c3c2cc(F)cc3)CC(OC)=O)C)Cl	4634
+C(c1ccc(cc1I)F)(Cl)=O	3011
+c1c(ccc(Oc2cc(C(Cl)=O)ccc2[N+]([O-])=O)c1F)F	3011
+c1c(ccc(Sc2cc(C(Cl)=O)ccc2[N+]([O-])=O)c1F)F	3011
+O=S(=O)(Cl)c1ccc(cc1)OCC#Cc2ccc(cc2)Cl	4634
+c1([N+]([O-])=O)c(Cl)c(c(Cl)nc1)Br	137
+c1(cc(F)ccc1)-c2[n+](c(c(Cl)cc2C(=O)OC)Cl)[O-]	375
+Clc1cc(Br)cc(Oc2c(ccnc2Cl)C)c1	137
+Clc1cc2c(c([N+]([O-])=O)cnc2cc1)Cl	120
+Clc1cc2c(nc(CCC)nc2Cl)cc1	64
+Clc1cc2c(cc1)cc(nc2Cl)C#N	8937
+Clc1ccc(CCN2C(=Nc3c(ccc([N+]([O-])=O)c3)C2=O)Cl)c(Cl)c1	4635
+Clc1ccc(c(Cl)c1)-c2c(c(Cl)ncc2)[N+]([O-])=O	137
+Clc1ccc(c(Cl)c1)-c2cc3n(ccn3)c(Cl)n2	3992
+Clc1ccc2c(nc(Cl)nc2)c1	1047
+Clc1ccc2[n+](c(c3c(c2c1)n(cn3)-c4c(Cl)cccc4)Cl)[O-]	8938
+Clc1ccc2c(Cl)nncc2c1	218
+O=S(=O)(c1nc2nc(C)cc(n2n1)Cl)Nc3c(cccc3Cl)Cl	4636
+Clc1cccc(c1)-c2c3c(nc(n2)Cl)ccc(c3)Br	1047
+Clc1cccc(c1)-c2nc(Cl)cc(CC)n2	64
+Clc1cccc(c1)-c2nnc(Cl)c(C)c2	218
+FC(F)(F)c1n2c(nc(Cl)c1)c(cn2)C(=O)OC	8939
+FC(F)(F)Cc1sc2ncnc(Cl)c2c1	779
+FC(F)(F)Oc1ccc2c(c1)ccc(n2)Cl	532
+FC(F)(F)c1ncnc(Cl)c1C	64
+FC(F)(F)c1c(N2CCc3ncnc(Cl)c3CC2)nccc1	64
+FC(F)(F)c1nc2c(ccc(OC)c2)nc1Cl	1221
+FC(F)(F)c1cc(cnc1Cl)Br	137
+FC(F)(F)c1ncnc(Cl)c1Br	64
+FC(F)(F)c1c2nc(n(C)c2c(cc1)C(CC)CC)Cl	1088
+FC(F)(F)c1c([n+]([O-])c(cc1)Cl)Cl	375
+FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc(n1)Cl	740
+FC(F)(F)c1cc(Nc2nc(CCC)cc(Cl)n2)ccc1F	64
+FC(F)(F)c1cc(Cl)nc2c1cn[nH]2	137
+FC(F)(F)c1cc2c(cc1)c(c(C(NCc3cc(ccc3)F)=O)c(SCC)n2)Cl	120
+FC(F)(F)c1ccc2c(nc(nc2Cl)-c3c(SCC)cc(Cl)cc3)c1	64
+FC(F)(F)c1cc2c(cc1)c(Cl)nc(-c3c(SCC)cccc3)n2	64
+FC(F)(F)c1ccc(cc1)-c2cc(nc(Cl)n2)C	740
+FC(F)(F)c1cc2c(cc1)nc(c(C(OC)=O)c2Cl)C	120
+FC(F)(F)c1ccnnc1Cl	218
+FC(F)(F)c1cc2c(Cl)nccc2nc1	3012
+FC(F)(F)c1c2c(ncnc2Cl)sc1	779
+FC(F)(F)c1nc(Cl)c2c(n1)cccc2	64
+FC(F)(F)c1ccc(cn1)-c2cc(nc(n2)Cl)C	740
+FC(F)(F)c1cc(c(cn1)I)Cl	120
+FC(F)(F)c1ccn(-c2ccc(c([n+]2[O-])Cl)C)n1	375
+FC(F)(c1ncc(cc1)F)c2nc(Cl)c3c(cccc3)n2	64
+FC(F)(c1ccc(F)cn1)c2nc(c3c(cc(OC)cc3)n2)Cl	64
+FC(F)(c1nc2c(cccc2Cl)c(n1)Cl)c3ncc(F)cc3	64
+c1(F)cc2nc3n(nc(C)c3c(c2cc1F)Cl)-c4ncccc4	4561
+Ic1c2c(n(n1)C)ncnc2Cl	1203
+N#Cc1c(Cl)nc(C)c(c1)[N+](=O)[O-]	137
+N#Cc1c(Cl)ncc(I)c1	137
+N#Cc1c(c(F)ccc1)-c2cc(ccc2F)-c3cc(Cl)nnc3	218
+N#Cc1c2c(c(Cl)nc1)cc(Br)s2	1799
+c1cc2c(cc1)nc3n2c(Cl)c(CCCCCC)c(c3C#N)C	8940
+c1(c2ccc(cc2c(Cl)nn1)Br)O	8941
+O(C(C)=O)CCc1c[nH]c2nc(SC)nc(Cl)c12	1032
+O(C)CCOc1ccc2nc(Cl)n[n+]([O-])c2c1	4637
+c1c(nc(Cl)c(c1Cl)[N+]([O-])=O)COC	8942
+O(C)c1c(C)nccc1Cl	120
+c12c(cc(OC)cc1OC)ncnc2Cl	64
+O(CC)C(=O)C(C)c1cccc(Cl)[n+]1[O-]	375
+c1cc2c(cc1)c(O)c(C(OCCCC)=O)nc2Cl	137
+n1c(Cl)c(c(nc1)COC)C	64
+O(c1c(Cl)ncnc1)C	64
+O(c1c(Cl)nccc1)C	137
+O1CCOC12CCc3c4c(sc3C2)ncnc4Cl	779
+C(C)N(CC)S(=O)(=O)c1c(n2c(nnc2Cl)cc1)C	8943
+O=S(=O)(Nc1c(ccc(C)c1Cl)Cl)c2nc3nc(C)cc(n3n2)Cl	4636
+O=S(=O)(c1cccc(-c2cnc(c3[nH]c4c(cc(C)cn4)c23)Cl)c1)CC	8944
+O=S(=O)(Cl)c1cc2c(ncc(Cl)c2cc1)Cl	137
+c1cc(ccc1-n2c3ncnc(Cl)c3cn2)S(=O)(=O)C	1203
+c1(C#N)cnn2cc(cc2c1Cl)Br	2411
+c1([N+]([O-])=O)cnc2c(CCC2)c1Cl	120
+c1nnccc1-c2nc3ccccc3c(Cl)n2	64
+c1cccc(-c2nc(c3sccc3n2)Cl)c1OC	2679
+c1c(c(OC)ccc1-c2nc(c3ccc(OC)cc3c2)Cl)F	137
+c1cc2ncccc2cc1C(=O)c3cc4c(cc3)nc(nc4-c5cc(ccc5)Cl)Cl	1047
+n1c2ccccc2c(Cl)nc1CCl	64
+c1c(Cl)nc2c(C(CCC2)=O)c1	137
+c1c(Cl)nc2c(C(NCC2)=O)c1	137
+c1cc2cccc(Br)c2nc1Cl	532
+c1cc2c(nc1Cl)c(ccc2)O	532
+c1cc2c(cc(Br)nc2)nc1Cl	532
+[N+]([O-])(c1cc2n(ncc(C#N)c2Cl)c1)=O	2411
+[N+](c1cc(Cl)c2ncc(C#N)c(Cl)c2c1)([O-])=O	120
+c1(C(=O)OC)ccc([n+]([O-])c1CCl)Cl	375
+[O-][n+]1c(Cl)cnc(C(=O)OC)c1C	2904
+c1(c(Cl)[n+]([O-])c(Br)cc1[N+](=O)[O-])NC	375
+c1cccc(-c2nc3c(ccc(C)c3)c(Cl)n2)c1OC	64
+c1cccc(-c2nc3ccccc3c(Cl)n2)c1OC	64
+c1cccc(-c2nc3c(c(Cl)n2)cc(F)cc3)c1OC	64
+Clc1c2CSCc2nc(-c3ccc(s3)Cl)n1	64
+c1(Cl)c(C(=O)O)cc(cn1)[N+](=O)[O-]	137
+c1(C)c2c(c(Cl)ncc2Br)ccc1	137
+c1(c([n+]([O-])c(Cl)cc1C)Cl)[N+]([O-])=O	375
+n1c(C)c(c(nc1Cl)C)Br	740
+c1(C)nc2c(c(Cl)c1)cc(cc2OC)F	120
+c12c(Cl)cc(C)nc1c(Br)ccc2	120
+c1(CCCC(=O)OC)cc2c(ncc(C#N)c2Cl)s1	8945
+c1(F)c(Cl)cc[n+]([O-])c1C	8946
+c1(F)cc(cc(F)c1-c2c(Cl)nnc(-c3c(F)cccc3)c2-c4cc(OC)cc(c4)OC)F	218
+c12cc(F)c(F)cc1c(Cl)ncn2	64
+c1(I)c(Cl)ccnc1CC	120
+Clc1c2c(ccs2)ncc1[N+](=O)[O-]	8947
+n1c(C)nc(Cl)cc1N	64
+c1(c2ccc(OC)cc2c(Cl)nn1)COC	218
+c1([N+]([O-])=O)cc2c(ncnc2cc1F)Cl	64
+c1([N+]([O-])=O)ccc2c(c(cc(Cl)n2)C)c1	532
+c1([N+]([O-])=O)cccc(-c2c(C#N)c(Cl)nc(SC)n2)c1	64
+c1(c(-c2ccncn2)cc(c(n1)Cl)C#N)-c3occc3	137
+c1(c(c(Cl)ncc1)C#N)C	137
+c1(c(CC)nc(Cl)c(c1)C#N)C(=O)OCC	137
+c1(c(nc(nc1Cl)C)C(=O)OCC)CCC	64
+c1(c(F)ccc2ncc(Cl)nc12)C	1221
+c1(c(Cl)ncc(c1)C(OCC)=O)C	137
+c1(c([N+]([O-])=O)cc2c(ncnc2c1)Cl)NCC	64
+n1c(Cl)c(c(nc1CC)Cl)I	64
+c1(C(=O)O)c(Cl)c(Cl)nc(n1)-c2c(c(OC)c(Cl)cc2)F	64
+c1(c(F)c(ncn1)Cl)CC	64
+c1(Cl)nccc(O)c1[N+](=O)[O-]	137
+c12c(CCC1C)ncnc2Cl	64
+c1(c2c(Cl)ncc(c2sc1)C(OCC)=O)C	1799
+c12c(c(C)cc(c1)Br)nc(-c3cnccc3)nc2Cl	64
+c1nc(c2c(cc(OC)c(c2)F)c1OC)Cl	137
+Clc1c2c(ccc(c2nc(c1)C)F)F	120
+c12c(nc(nc1Cl)C)sc(C)c2	779
+c12c(Cl)nncc1cc(-c3c(C)ccc(c3)C(=O)OC)cc2	218
+c1c(cc2c(c(Cl)nnc2)c1)Br	218
+Clc1nc(C)nc2c(cccc12)O	64
+c1ccc2c(c(C)nc(c2c1)Cl)CC(=O)O	137
+c1(c2c(ccc1C)c(Cl)ncc2)-c3cc4c(cc3)nc(NC)nc4	137
+c1(c2n(ccnc2)nc1)-c3ncc([N+]([O-])=O)c(Cl)n3	64
+c1(C)cc(Cl)nc(-c2nc(CCC)ccc2)n1	64
+c1(C)cc(cc(C)c1)-c2c(ncc([n+]2[O-])Cl)-c3cc(C)cc(C)c3	2904
+c1(cc(ccc1)NC(C)=O)-c2nnc(cc2)Cl	218
+c1([n+]([O-])c(c(C)cc1)C(=O)OC)Cl	375
+c1(cncc(Br)c1Cl)Br	120
+c1(c(Cl)nc(C)cc1C)[N+]([O-])=O	137
+c1(ccc(cc1Cl)-c2nc(Cl)nc(c2)C)Cl	740
+N#Cc1c(O)nc(C)cc1Cl	120
+c12c(CCCC1)nc(N)nc2Cl	64
+n1c2c(c(Cl)cc1-c3c(cccc3)OC)cccc2	120
+c1(nc2c(c(Cl)c1)cc(cc2)Br)C	120
+c12ccccc1[n+](nc(Cl)n2)[O-]	4637
+c1(ccccn1)-c2c(nccc2)Cl	137
+n1cnc2COC(C)c2c1Cl	64
+n1cnc2n[nH]cc2c1Cl	1203
+c12c(Cl)nncc1c(c(C)cc2)I	218
+c12c(nc(Cl)n3c1ncn3)ccc(Br)c2F	8948
+c12c(Cl)nc(N)nc1-c3c(OCC2)cccc3	64
+C1CC(OC)c2ncnc(Cl)c12	64
+c1(Cl)c2c(c(C(=O)OC)cn1)n(C)cc2	3012
+c12CCCCc1nc(c([N+]([O-])=O)c2)Cl	137
+C(Oc1c(OC)cc2c(c(C#N)cnc2c1)Cl)CCCl	120
+COc1c(OCCOC)cc2ncc(C#N)c(c2c1)Cl	120
+c1([N+]([O-])=O)ccc2ncc(C#N)c(c2c1)Cl	120
+c12c(c(C)cc(c1)Br)nc(Cl)c(c2)F	532
+c12c(ncnc1Cl)sc(CC)c2	779
+c12c([N+]([O-])=O)cccc1c(ncn2)Cl	64
+c1cc2c(nc1Cl)c(F)ccc2	532
+c12N=C(N(CC)C(=O)c1cccc2Br)Cl	4635
+c12c(nccc1Cl)c(I)ccc2	120
+c12c(cnc(c1cccc2C)Cl)C(=O)O	137
+c12c(cncc1)[nH]c3c2c(ncn3)Cl	1032
+c12CCCc1ncnc2Cl	64
+Clc1c(Br)cc2c(ncnc2c1)Cl	64
+COc1c(OCCOC)cc2c(c(ncn2)Cl)c1	64
+COc1c(OCC)cc2c(c(ncn2)Cl)c1	64
+n1cnc2cnc(cc2c1Cl)-c3nnc(o3)C	64
+n1cnc2c(ccc(C)n2)c1Cl	1032
+c12nnc(Cl)c(c1CCCC2)C#N	218
+c12c3c(-c4c(C)c([N+]([O-])=O)ccc4)nnc(Cl)c3[nH]c1cc(cc2)C(=O)C	4638
+c12c3c(c(Cl)cc(C)n3)ccc1cccn2	120
+c12cc(OC)cc(OC)c1c(Cl)ccn2	120
+c1(cnc2ccc(OC)cc2c1Cl)C(=O)OCC	120
+c12cc([nH]c1c(ncn2)Cl)-c3occc3	1268
+c12cc(cc(c1c(ncn2)Cl)OCCCl)OC	64
+c1(nc2ccc(C)cc2[nH]1)Cl	3013
+c1(-c2cccc(OC)c2)c3ccc(OC)cc3c(Cl)nn1	218
+c12ccc(C#N)cc1[nH]c3c2c(ncn3)Cl	1032
+Clc1ccnc2nc(C)ccc12	3014
+Clc1ccnc2c1ccc(CCC)n2	3014
+[n+]1([O-])c2c(cc([N+]([O-])=O)c1Cl)cccc2C	3015
+O(C)C(Cc1c(nc2c3c(nn2c1Cl)cccc3)C)=O	8949
+Clc1ccc2cc3c(CC4(c5cccnc5NC4=O)C3)cc2n1	532
+c1c(OC)ccc2n3c(nnc3c(Cl)nc12)CC	8950
+n1c2ccc(C)nc2c(Cl)cc1	4639
+n1cc(c(Cl)c2c1cccc2)I	120
+Cc1ccc2c(cc[n+]([O-])c2Cl)c1[N+]([O-])=O	375
+c1(Br)c2c(ccc1)c([n+](cc2)[O-])Cl	375
+c1c2c(c([n+](c1OCC)[O-])Cl)cccc2	375
+c1c(-c2cc3nc(C)c(CC(OC)=O)c(Cl)n3n2)cc4CCCCc4c1	4263
+c1c(Br)c(Cl)cc2nc(Cl)ncc12	1047
+CC(C)c1ccc(c(OCc2c(C)nc(-c3c(C)cccc3C)nc2Cl)c1)C	64
+c1c(C)c(c(cc1)C)Oc2cc3c(Cl)nc(-n4cc(cn4)C(=O)OCC)nc3cc2F	64
+c1c(C)ccc(N2CCc3c(C2)c(ncn3)Cl)n1	64
+c1c(C)nn(CC(=O)c2c(cc(nc2C)C)Cl)c1C	120
+c1c(c(C)c([N+]([O-])=O)cc1)CCCl	8951
+Clc1cc(cc(Cl)c1-n2cc3c(Cl)[n+]([O-])cc(c3n2)F)[N+]([O-])=O	8952
+Cc1c(Cl)c2c(nc1-c3c(cccc3)F)cccc2	8953
+Fc1cc(cc(F)c1)-c2n3nc(C)cc3nc(Cl)c2	4640
+c1c(OC)ccc2[n+]([O-])c(c(cc12)[N+]([O-])=O)Cl	3015
+[n+]1(cc(Br)cc(OCC)c1Cl)[O-]	375
+c1c(c(cc(-c2nc3c(cc2)ncnc3Cl)c1)C)OC	1268
+n1c(nc(-c2c(cccc2)OC)cc1Cl)CC	64
+c1c(cc2c(c([N+]([O-])=O)cnc2c1)Cl)Br	120
+c1(cnc2ccc(cc2c1Cl)Br)C(=O)OCC	120
+c1c(cc2c(c1)ncc(Cl)n2)Br	1221
+c1c(cc2c(Cl)cc(-c3cc(F)ccc3)nc2c1)Br	120
+c1c(cc2ncc([N+]([O-])=O)c(c2c1)Cl)Br	120
+c1c(ccc(c1F)-c2[n+](c(ccc2C(=O)OCC)Cl)[O-])F	375
+c1c(Cl)c(-c2cc3n(n2)c(ccn3)Cl)ccc1	8954
+c1(nc2c(c(F)ccc2)[nH]1)Cl	3013
+c1(nc2cccc(Cl)c2[nH]1)Cl	3013
+c1(ccccc1-c2nnc(Cl)c3c2ccc(OC)c3)OC	218
+c1c2c(ccc1OC)c(Cl)nc(Nc3ccn[nH]3)c2	137
+N#Cc1cnc2c(c1Cl)cc3c(c2)cc(OCCCl)c(OC)c3	120
+N#Cc1cnc2c(c1Cl)cc3c(cc(c(OC)c3)O)c2	120
+c1c2c(nc(Cl)nc2)cc(OC)c1Br	1047
+c1(cc(F)ccc1Oc2c3c(nc(cc3)Cl)ccc2OC)F	532
+c1c2c(c(Cl)ncc2[N+](=O)[O-])ccc1	137
+c1c2c(ccc1C)ccnc2Cl	137
+c1c2c(ccc1OC)c(cc(Cl)n2)C	532
+c1c2c(ccnc2)c(nc1-c3cc(Cl)ncc3)Cl	137
+c1ccc2c3cc(Br)ccc3nc(Cl)c2c1	532
+c1c2ccc(Cl)nc2ccc1OC	532
+c1c2nccc(Cl)c2ncc1OC	4639
+c1(c(-c2ccc(s2)Cl)nn(c1)C(C)CC)-c3cc[n+](c(c3)Cl)[O-]	375
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4cc(Cl)[n+]([O-])cc4	375
+CC(C)c1ccc(cc1)-c2cc[n+](c(Cl)c2)[O-]	375
+c1cc(Br)c(Cl)[n+]([O-])c1C(=O)OC	375
+c1cc(cc(F)c1F)-c2cc(nc3cc(C)nn23)Cl	4640
+c1cc(cc(c1Cl)Cl)N=C(N)Nc2nc(cc(Cl)n2)C	64
+CC(C)c1c(cc(c(n1)Cl)C#N)-c2ccccc2	137
+c1ccccc1-c2nc3c(cccc3)c(c2)Cl	120
+c1ccccc1-c2nc(nc(c2)Cl)N	64
+c1cc(ccc1)-c2cc3c(cc2)c(c([N+]([O-])=O)cn3)Cl	120
+c1cc(ccc1)-c2cnc(c(C#N)c2)Cl	137
+c1ccccc1-c2nc(c(c(n2)Cl)C(C(OC)=O)CCC)C	64
+c1cc(ccc1)-c2nnc(c3cc(ccc23)OC)Cl	218
+c1ccccc1-c2oc3c(c(ncn3)Cl)c2-c4ccccc4	2239
+c1cc(ccc1OC)-c2c3c(Cl)ncnc3oc2-c4ccccc4	2239
+c1ccccc1-c2nnc(cc2N3CCN(CC3)C(c4ccccc4)=O)Cl	218
+c1cc(ccc1)C(c2c(c3c(c(OC)ccc3)nc2)Cl)=O	120
+c1ccccc1CCc2cc([n+](c3ccc(C(=O)c4ccc(cc4)Cl)cc23)[O-])Cl	3015
+c1cc(ccc1)CN2CCc3c(CC2)ncnc3Cl	64
+c1cc(ccc1)CN2Cc3ccc(nc3C(C)(C)C2)Cl	137
+c1cc(ccc1)COC(N2CCc3c(C2)nc(nc3Cl)SC)=O	64
+c1cc(ccc1)COC(=O)N2CCc3c(c(Cl)n4nccc4n3)CC2	3833
+c1cc(ccc1)Cc2c(nc(N)nc2Cl)C	64
+c1cc(ccc1)Cc2nnc(c3c2c(OC)cc(OC)c3)Cl	218
+c1cc(ccc1)Cn2ccc3c2c(Cl)nc(N)n3	1268
+c1cc(ccc1)OCc2c3ccc(OC)cc3c(Cl)nn2	218
+c1cc(ccc1)Oc2ccc(cc2)-c3c(c(cc(C4CCN(CC4)C(=O)OCc5ccccc5)n3)Cl)C#N	120
+c1cc(ccc1)Sc2cnc(Cl)cc2	137
+c1cc(ccc1-c2[n+]([O-])c(c(o2)C)CCl)C(OC)=O	8955
+c1cc(ccc1Cl)-c2c(c(Cl)nnc2)-c3ccncc3	218
+c1cc(ccc1-c2cncnc2Cl)C	64
+c1cc(ccc1)-c2oc3c(c(Cl)ncn3)c2-c4ccc(cc4)CC	2239
+c1cc(ccc1F)-c2cnnc(c2)Cl	218
+c1cc(ccc1OCc2ccccc2)-c3cc(nnc3CCCC)Cl	218
+c1cc(ccc1Cl)-c2c(nc(Cl)c(c2)C#N)-c3c(Cl)cccc3	137
+c1cc(ccc1-c2[nH]c3ncnc(c3c2)Cl)[N+](=O)[O-]	1032
+c1cc(ccc1-c2nc(c3ccsc3c2)Cl)OC	1799
+c1cc(ccc1-c2ccc3c(Cl)c(nnc3c2)I)S(=O)(=O)C	4641
+c1cc(ccc1-c2ccccc2)Cn3nc4N=C(N(C)C(=O)c4c3)Cl	8956
+c1cc(ccc1)-c2c(nc(Cl)c(C#N)c2)-c3ccc(cc3)C	137
+c1cc(ccc1-c2ncc(OC)c(Cl)n2)[N+](=O)[O-]	64
+c1cc(ccc1-c2nn(C)nn2)-c3nnc(c4cc(ccc34)OC)Cl	218
+c1cc(ccc1-c2nnc(Cl)c3cc(F)ccc23)F	218
+c1cc(ccc1C#N)-c2c(C)cc(Cl)nn2	218
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3cc4c(cc3)ncnc4Cl	64
+c1cc(ccc1C)-c2cc(c(nc2-c3c(cc(cc3)Cl)Cl)Cl)C#N	137
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)-c3nnc(Cl)cc3	218
+c1cc(ccc1)CN2N=C(C(c3ccc(cc3)Cl)=CC2=O)Cl	8957
+c1cc(ccc1C(OC)=O)-c2nc3n(ncc3)c(Cl)c2	8958
+c1cc(ccc1CC#N)Sc2c(nc(N)nc2C)Cl	64
+c1cc(ccc1F)CN2c3ccccc3C(Cl)=C(C#N)C2=O	2050
+c1cc(ccc1CN2c3c(cc(c(c3)F)C(=O)OC)N=C(Cl)C2=O)OC	4642
+c1cc(ccc1Cc2nnc(c3ccccc23)Cl)OC	218
+c1cc(ccc1-c2c3n(nc2-c4c(Cl)cccc4)c(Cl)cc(C)n3)Cl	1591
+c1cc(ccc1-c2c(nnc(Cl)c2)-c3ccccc3Cl)Cl	218
+CC(C)c1cc(Cl)nc(-c2ccc(cc2)Cl)n1	64
+c1cc(ccc1Cl)N2c3c(cccc3)N=C(Cl)C2=O	4642
+c1cc(ccc1Cn2c3c(Cl)nncc3cc2C)OC	4638
+c1cc(ccc1Cn2nc3c(c4c(cccc4)nc3Cl)c2)OC	8959
+c1cc(ccc1-c2nc3c(cccc3)c(Cl)c2)F	120
+c1cc(ccc1F)-c2ccc3ncnc(Cl)c3c2	64
+c1cc(ccc1F)C(F)(F)c2nc(c3sccc3n2)Cl	2679
+c1cc(ccc1Nc2nc(Cl)c(Br)cn2)S(=N)(=O)C	64
+c1cc(ccc1N(c2nc(Cl)c3cc(ccc3c2)Cl)C)O	137
+c1cc(ccc1-c2c3c(ncnc3Cl)oc2-c4ccccc4F)OC	2239
+c1cc(ccc1OC)C(=O)c2cc3c(nc(nc3cc2)Cl)-c4cc(ccc4)Cl	1047
+c1cc(ccc1OC)CN2c3c(C(=C(C2=O)C(OCC)=O)Cl)cc(cn3)F	8960
+c1cc(ccc1Cc2c(Cl)nc(nc2C)N)OC	64
+c1cc(ccc1-c2nc(c(CCCCCCCC)cc2)Cl)OCCCCCCCC	137
+c1cc(ccc1OCCCCCCCC)-c2nc(c(cn2)C(=O)OCC)Cl	64
+c1cc(ccc1[N+](=O)[O-])-c2cc(Cl)c(c(n2)-c3ccc(cc3)Oc4ccccc4)C#N	120
+c1cnccc1-c2nc(nc(c2)Cl)N	64
+c1cc2ncc(C#N)c(c2cc1I)Cl	120
+n1cnc2nc(ccc2c1Cl)Cl	1032
+c1cc2c(c(Cl)cc(n2)C)cc1I	120
+c1(cc(ccc1)OC)-c2[n+](c(ccc2CC(OC)=O)Cl)[O-]	375
+C1(=O)c2ccccc2C(=O)N1c3[n+]([O-])c(c(C)c(C)c3)Cl	375
+c1cccc(-c2ccc(Cl)nn2)c1O	218
+c1cc(ccc1)-c2nnc3c(c(ccc3)C)c2Cl	4641
+c1cc(ccc1)-c2nc(nc3c2cccc3)Cl	1047
+c1ccccc1-c2c(C#N)c(Cl)nc(C(C)C)c2	137
+c1cc(ccc1)-c2ncc(Cl)nc2	4505
+c1cc(ccc1)-c2c(nc(SC)nc2)Cl	64
+c1ccccc1-c2csc3c2c(Cl)nc(CCl)n3	779
+c1ccccc1-c2nc(c(C(=O)OCC)cn2)Cl	64
+c1cc(ccc1)-n2c(-c3ccccc3)nc4c2ncnc4Cl	8961
+c1ccccc1CN2Cc3nnc(Cl)cc3CC2	218
+c1ccccc1CN2Cc3ccc(Cl)nc3CC2	137
+c1ccccc1COC2CC(C2)S(=O)(=O)Cl	8962
+c1ccccc1COCC(C)Cc2nc(Cl)c(C#N)c(n2)-c3cc(c(Cl)cc3)Cl	64
+c1ccccc1COCc2ncnc(Cl)c2I	64
+c1ccccc1COCc2nc3c(c(Cl)n2)cc(cc3)OC	64
+c1ccccc1COc2cc3c(ncnc3cc2OC)Cl	64
+c1ccccc1COc2c(Br)cc3c(cc(nc3c2)C)Cl	120
+c1ccccc1COc2cc3c(c(cnc3cc2OCCOC)C#N)Cl	120
+c1ccccc1COc2cc3nccc(Cl)c3cc2	120
+c1ccccc1COc2c(OC)cc3c(c2)nccc3Cl	120
+c1ccccc1COc2ccc3c(c([N+]([O-])=O)cnc3c2)Cl	120
+c1ccccc1CSc2cc3c(F)cnc(Cl)c3cc2	137
+c1ccccc1CSc2cc3ncnc(Cl)c3cc2	64
+c1ccccc1Nc2nc(C)cc(n2)CCl	8963
+c1ccccc1Oc2ccc3ncc(C(=O)OCC)c(Cl)c3c2	120
+c1cc(-c2cc(cc(-c3ccccn3)n2)Cl)ncc1	120
+c12ccc(C)c(c1ccnc2Cl)I	137
+c1cc(ccn1)-c2c(nc(nc2Cl)N)-c3cc(F)ccc3	64
+c1cc(ccn1)-c2ncc(C(OCC)=O)c(Cl)n2	64
+c1(Cl)cnc2c(ccnc2Cl)n1	1221
+S(c1ccc2ncc(Cl)nc2c1)C	1221
+c1nccc(C=2N=C(Cl)N(C(C=2)=O)C)n1	8964
+n1(-c2ccc3c(c(ncn3)Cl)c2)ccnc1	64
+n1(-c2ncccc2Cl)ncc3c(ncnc13)Cl	1203
+c12n(ccn1)c(Cl)nc(-c3cnn(C)c3)c2	8965
+c1(Cl)n2nc(C)cc2nc(C)c1	8966
+n1cnc2n(-c3ncccc3)ncc2c1Cl	1203
+n1c(C)c(c(nc1Cl)C)C(OCC)=O	740
+n1c(nc(Cl)c2cc(C)ccc12)CCl	64
+n1c(nc(Cl)cc1)COC(CCCCC)=O	64
+n1c(Nc2ncc(C)c(c2)CCl)sc(c1)C#N	8967
+n1c(Cl)c2N(C(C(=Cc2cn1)C(OCC)=O)=O)C	218
+n1c(SC)nccc1-c2c(nc(Cl)c(C#N)c2)-c3occc3	137
+n1c(nc2sccc2c1Cl)C(=O)OCC	779
+c1(N)nc(Cl)nc(C#N)n1	8968
+c12c(nc(C)nc1Cl)CCCC2	64
+n1c(Cl)c(C#N)cnc1Nc2cccc(OC)c2	64
+c1(Cl)nc(nc2c1[nH]cc2)CCCC	1268
+c12cc3c(OCO3)cc1c(Cl)ncn2	64
+n1c2ccc([N+]([O-])=O)cc2c(Cl)nc1-c3nccnc3	64
+c1c(c2c(nc1CCC)ccc([N+]([O-])=O)c2)Cl	120
+n1c2ccc(cn2c(-c3nc(Cl)ccn3)c1)F	64
+n1cc(I)c(c(C#N)c1)Cl	120
+n1ccc(nc1Nc2cccc(-c3csc(n3)C)c2)Cl	64
+n1cccc2c(Cl)nccc12	3012
+c1nc(Cl)nnc1-c2ccccc2F	8969
+n1nn2c(c([N+](=O)[O-])c(c3c2cccc3)Cl)n1	3014
+c1cc2c(nnc(-c3cscc3)c2cc1)Cl	218
+C(c1ccncc1Cl)(=O)Cl	82
+Clc1c2c(c(ncn2)Cl)ccc1	569
+Clc1cc(cc(OC)c1)CCl	109
+Clc1cc(OC(C)C(OC)=O)c(cc1)CCl	109
+Clc1cc2oc(CCl)cc2c(Cl)c1	2240
+Clc1ccc(c(-c2c(cno2)CCl)c1)Cl	1703
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(Cl)=O)n2)c1	130
+c1(Cl)cccc(Cl)c1-c2noc(C(C)C)c2CCl	1703
+Clc1nc2c(cc1C(Cl)=O)cccc2	1082
+FC(F)(C(=O)Nc1cccc(OC(CCCCCCCCCCCC)C(=O)Cl)c1)C(F)Cl	130
+FC(F)(CCC(=O)Cl)Cl	130
+FC(F)(F)C(=O)N1CCC(CC1)c2ccc(cc2)C(Cl)=O	82
+FC(F)(F)C(C1=CC(=O)C(OCc2ccccc2)=C(N1C)CCl)O	8970
+FC(F)(F)C1CCC(CC1)C(=O)Cl	130
+FC(F)(F)CCN1CCC(CC1)C(Cl)=O	130
+FC(F)(F)CCOc1c(Cl)cc(c(c1Cl)C(=O)Cl)F	82
+FC(F)(F)CCSCCC(Cl)=O	130
+FC(F)(F)CNC(=Nc1cccc(c1)CCl)N	8971
+FC(F)(F)COc1cc2c(cc1OC)c(Cl)ncn2	569
+FC(F)(F)CSCC(=O)Cl	130
+FC(F)(F)Oc1cc(C(Cl)=O)cc(C#N)c1OC	82
+FC(F)(F)Oc1c(OC)c(cc(C(=O)Cl)c1)Cl	82
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(n2)C)CCl	512
+FC(F)(F)Oc1ccc(cc1)OCC(=O)Cl	130
+FC(F)(F)c1c(-c2[nH]c3ccc(C(=O)Cl)cc3n2)c(Cl)ccc1	82
+FC(F)(F)c1cc(ccc1OCC2CC2)CCl	109
+FC(F)(F)c1cccc2c(n(-c3ccccc3)nc12)Cl	8972
+FC(F)(F)c1c(C#N)cc(-n2nnnc2CCl)cc1	2176
+FC(F)(F)c1c(cccc1)S(=O)(=O)Nc2c(nccn2)-c3ccc(cc3)CCl	109
+FC(F)(F)c1c(C(Cl)=O)sc(C)n1	8973
+FC(F)(F)c1cc(ccc1)-c2nc(c(C(CC)Cl)cc2)C	4643
+FC(F)(F)c1cc(c(c(c1)[N+]([O-])=O)Cl)C(Cl)=O	82
+FC(F)(F)c1c(OCCCCCCC)ccc(CCl)c1	109
+FC(F)(F)c1cc(c(c(c1)OC)C(=O)Cl)SC	82
+FC(F)(F)c1cc(ccc1CC2CCCCC2)CCl	109
+FC(F)(F)c1cc(nc(c1C(Cl)=O)Cl)Cl	1082
+FC(F)(F)c1ccc(cc1)-c2cc(c(s2)CCl)C	3016
+FC(F)(F)c1ccc(cc1)-c2cnc(CCl)cc2	512
+FC(F)(F)c1ccc(cc1)CC(Cl)=O	130
+FC(F)(F)c1ccc2c(c(cnc2c1)CCl)O	447
+FC(F)(F)c1csc(CCl)c1	3016
+FC(F)(F)c1ncc(-c2nc(c(cn2)CCl)CCOC)cc1	4644
+FC(F)Oc1c(F)c(C(=O)Cl)cc(c1F)F	82
+FC(F)Oc1cc(nn1C)-n2c(C)c(C(Cl)=O)cn2	3017
+FC(F)c1c(c(n(n1)C)F)C(Cl)=O	3017
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3nc(cs3)C=4CC(ON=4)c5c(CCl)cccc5	109
+FC1(F)Oc2c(ccc(CCl)c2)O1	109
+C1CC1(c2ccc3OC(F)(F)Oc3c2)C(=O)Cl	130
+Fc1c(cc(c(C(=O)Cl)c1)Cl)F	82
+Fc1c(F)cc(c(c1)C(=O)Cl)Br	82
+c1c(F)c(c(cc1C(Cl)=O)F)OCC#C	82
+c1(cncc(F)c1N=C(c2c(Cl)cccc2[N+](=O)[O-])Cl)F	3018
+c1(cncc(F)c1N=C(c2c(cccc2F)Cl)Cl)F	3018
+c1(c(C#N)cccc1C(Cl)=O)C	82
+N1(c2c(C(=O)N(c3ccc(Cl)nc13)C)cc(CCl)cn2)CC	447
+N1=NN(c2c(Cl)ccc(C(Cl)=O)c2Cl)C(=O)N1C	82
+Nc1ccc(C(Cl)=O)cc1[N+]([O-])=O	82
+n1snc2nc(ccc12)Cl	8974
+c1(c(c(C(=O)OC)cc2nsnc12)N)Cl	8975
+O(C)CCCCOc1cc(ncc1)CCl	512
+O(C)c1c(CCl)cnc(C)c1Cl	447
+C(c1c(OC)ncc(F)c1)(=O)Cl	1082
+O(c1c(CCl)cc(F)c(C)n1)C	447
+O(c1c(OC)cc2c(c(ncn2)Cl)c1)C(C)=O	569
+O(c1c2C(CCCc2nc(Cl)c1)Cl)C	4643
+C1(CCCc2cc(Oc3ncc(cc3)C(=O)N)ccc12)Cl	525
+O1c2c(OC1)c(Cl)cc(c2)CCl	109
+O1c2cc(cc(F)c2OC1)CCl	109
+c1(C(Cl)=O)cn(c2c1ccc(OC)c2)-c3c4ccccc4ncc3	1082
+O(c1cc(cc(OC(=O)C)c1)C(Cl)=O)C(=O)C	82
+C1Cc2c(-c3cccc(C(Cl)=O)c3C1)cccc2	82
+O=C1Nc2c(cccc2)C(C1)CCCl	221
+O=Cc1cc(C(Cl)=O)cc(C)c1	82
+c1cc(ccc1NS(=O)(=O)C)C(=O)Cl	82
+O=S(=O)(C)Nc1c(C(N2CCCC(C(Cl)=O)C2)=O)cccc1	130
+O=S(=O)(C)c1c(-c2nocc2)c(C)c(cc1)C(Cl)=O	82
+O=S(=O)(C)c1ccc(c(Cl)c1C(Cl)=O)C(=O)OC	82
+O=S(=O)(Cl)C1(CC1)CC=C	1439
+O=S(=O)(Cl)CCC1CCCC1	1439
+O=S(=O)(Cl)Cc1cc2c(cccc2)cc1	1439
+O=S(=O)(N(c1cccc2c1[nH]c(-c3sc(cn3)CCl)c2)C)c4cccs4	8976
+O=S(=O)(N)c1c(C)ccc(C(=O)Cl)c1	82
+O=S(=O)(C)Nc1cc(ccc1)C(C)Cl	525
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1)Cl)Cl	895
+O=S(=O)(Cl)c1cc(c(Br)c2c1cccc2)CCOC(C)=O	895
+O=S(=O)(Cl)c1c(C(C)=C)cccc1	895
+O=S(=O)(c1c(ccc(C)c1)[N+](=O)[O-])Cl	895
+O=S(=O)(N)c1cc(ccc1Cl)C(Cl)=O	82
+O=S(=O)(Cl)c1c(cc(c(C)c1)F)[N+]([O-])=O	895
+O=S(=O)(c1ccc(C(=O)Cl)c(c1C2=NOCC2)C)C	82
+O=S(=O)(c1ccc(c(c1)C(=O)O)Cl)N2CCC(CC2)CCl	221
+O=S(=O)(c1ccc(cc1)C)N2C(CC(=O)NCCc3ccc(cc3)CCl)C(NC=C2)=O	109
+O=S(=O)(Cl)c1c([N+](=O)[O-])cc(C)cc1	8977
+O=S(=O)(c1cc2c(ncnc2O)cc1)Cl	895
+O=S(=O)(c1cccc(c1)C=CC(=O)OC)Cl	895
+O=S(=O)(c1ccc2c(CCCC2Cl)c1)c3ccccc3	525
+O=S(=O)(c1c(nccc1)C(=O)Cl)CC	1077
+c1cc(ccc1S(=O)(=O)Cl)C#Cc2ncccc2	8978
+n1c(nc(Cl)c2ccccc12)-c3cc(ccc3)OC(=O)C	569
+c1cc([N+]([O-])=O)cc(-c2nc3ccccc3c(Cl)n2)c1	569
+[N+]([O-])(c1cc(-n2nccc2)c(Cl)nc1)=O	4496
+C(Cl)(c1cccc([N+]([O-])=O)c1C)=O	82
+c1(-c2nc3cc(c(OC(C)=O)cc3c(Cl)n2)OC)cc([N+]([O-])=O)ccc1	569
+Clc1c(C(Cl)=O)c(C)ccc1	82
+c1c([N+]([O-])=O)c(F)c(C(Cl)=O)c(F)c1	82
+c1(I)c(OC)c(Cl)cc(C(Cl)=O)c1	82
+C(c1cc2c(s1)nc(Cl)cn2)(=O)Cl	2115
+Clc1cccc2cc(C(Cl)=O)sc12	2115
+c1(C)nc(Cl)cc(c1)CCl	109
+c1(Cl)cc(cc(Cl)c1C(Cl)=O)[N+](=O)[O-]	82
+Clc1cc(cc(Cl)c1C(C(Cl)=O)c2ccc(cc2)Cl)N3N=CC(NC3=O)=O	130
+Clc1cc(cc(Cl)c1OCCCCCCCCCCCC)C(Cl)=O	82
+c1(Cl)ccnc(CCl)c1	512
+Fc1ccc(cc1CCl)C#Cc2cc(C#N)cnc2	109
+c1(Nc2ccnc(n2)Nc3cccc(C(Cl)=O)c3)c(Cl)ccc4OCOc14	82
+c1(Nc2nccc(CCl)c2)nc(C)cs1	109
+c1(OC(C)=O)cc(C)cc(C(Cl)=O)c1C	82
+c1(OC)c(OC)c(cc2nc(ccc12)CCl)OC	512
+C(COc1ccnc(CCl)c1C)O	512
+C(Cl)c1c(Oc2cc(ccc2)F)cccc1	109
+C(C(Cl)=O)c1ccc([N+]([O-])=O)cc1Cl	130
+c1([N+]([O-])=O)cc2c(ncnc2cc1F)Cl	569
+c1(CCl)c(C)nccc1	447
+c1(c(c(F)c(cc1C(Cl)=O)F)Br)F	82
+c1c(I)c(c(c(CC)c1I)I)-c2ccc(C(Cl)=O)c([N+]([O-])=O)c2	82
+C(Cl)(c1c(nccc1)Nc2cc([N+]([O-])=O)ccc2)=O	1082
+c1(cc(C(Cl)=O)ccc1[N+]([O-])=O)OC	82
+c1(cc(cc2c1OCO2)CCl)OC	109
+c1c(OC)c(O)c([N+]([O-])=O)cc1C(Cl)=O	82
+c1c(C(Cl)=O)cc(C)c(OCC#C)c1OC	82
+c1cc2c(c(C(=O)Cl)c1)ccc(Oc3ccnc4c3cc(c(OC)c4)OC)c2F	82
+c1(c(CCl)cc2c(c(Cl)ccc2)n1)-c3c(cccc3)Cl	447
+c1(cccc(OCC(Cl)=O)c1)Br	130
+c1(ccccc1Cl)Oc2ccc(c(c2)CCl)OC	109
+c1(ccccc1Oc2cccc(CCl)c2OC)C	109
+c1c(F)c(c(cn1)F)N=C(c2c(cc(cc2Cl)C#N)Cl)Cl	3018
+c1(nc2c(cn1)cccc2)COc3cc(CCl)ccc3	109
+c1(nc2c(s1)cccc2)Oc3ccc4oc(cc4c3)CCl	2240
+O1COc2c(nccc12)CCl	512
+O=C(c1cc2c(s1)nccn2)Cl	2115
+c1(F)c(CCl)cc2OCOc2c1	109
+c1(C(=O)Cl)cc2c(C(=O)c3c(O2)cccc3)cc1	82
+C(c1c(c2c(c(Cl)ccc2)nc1)O)(Cl)=O	1082
+c1(oc2cccc(c2n1)C#N)Cl	4645
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(C(Cl)=O)cc4C	82
+c12cc(ccc1cc(CCl)cc2)C	109
+c1nc(cc2ccccc12)C(Cl)C	4646
+c1ccc2c(c1)nc3c(cccc3)c2C(=O)Cl	82
+c1c(Br)c(OC(C(Cl)=O)CCC)ccc1	130
+C(c1c(OC(=O)OCC)cccc1)(Cl)=O	82
+C(Cl)(c1cccc(F)c1C)=O	82
+c1c2c(ccc1)c(C)ccc2C(Cl)=O	82
+c1c(C(=O)Cl)cc(cc1)C#C	82
+O=S(=O)(c1c(cc(cc1C)OCC(=O)Cl)C)Cl	130
+C(Cl)(=O)c1c2c(ccc1)Sc3ccc(cc3C2=O)C	82
+c1ccc(OCCOC)c(OC)c1CCl	109
+c1c(CCl)c2c(ccc(OC)c2)cc1	109
+c1(ccc2nc(nn2c1)Br)CCl	447
+Clc1cc(cc(Cl)c1C(Cl)=O)Cl	82
+c1c(Cl)c(c(cc1Cl)Cl)CCl	109
+Oc1c(cc(Cl)cc1[N+](=O)[O-])C(c2cc(Cl)cc([N+](=O)[O-])c2O)Cl	1440
+Fc1cc(cc(F)c1CC(Cl)=O)Br	130
+c1c(OC(C)=O)c(C)c(C(Cl)=O)c(C)c1	82
+c1c(OC)c(OC)ccc1CCN(CCCl)C	221
+COc1cc(cc(OC)c1Cl)-c2cc(CCl)ccn2	109
+c1cccc(C2(Cl)c3c(ccc(c3)C#N)NC2=O)c1OC	8979
+c1c(OC)c(c(c(F)c1)F)CCl	109
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(n2)CCC(Cl)=O)Cl)OC	130
+c1c(c2c(c3n(nc(n3)CCl)c(n2)N)cc1)COC	2176
+c1c(cc(cc1)CCl)OC(C)C(OC)=O	109
+c1c(cc(CC(Cl)=O)c(C)c1)Br	130
+c1c(cc(C(Cl)=O)c(Cl)c1)Br	82
+c1c(cc(c(c1)Cc2c(nn(-c3c(Cl)ccc([N+]([O-])=O)c3)c2C(Cl)=O)CCCC)F)Br	1077
+c1c(ccc(-c2c(cno2)CCl)c1F)F	1703
+c1c(nc(c(C)c1)CCl)C#N	512
+c1cccc2C(=O)N(C(=O)c12)CC(=O)Cl	130
+c1c2C=C(C(=O)Cl)CCOc2ccc1	3019
+c1(oc2c(ccc(c2)O)n1)Cl	4645
+c1cc(c(cc1I)CCl)Br	109
+c1(ccc(C)nc1)CCl	447
+c1cc(cc([N+]([O-])=O)c1OCC)CCl	109
+c1cc(CCl)cc(c1OC)C#N	109
+c1cc(ncc1Br)CCl	512
+c1cc(Cl)c(c(Cl)c1OC(C)C(Cl)=O)C	130
+C(Cl)(=O)c1cc(ccc1[N+]([O-])=O)F	82
+COc1c(C(Cl)=O)c(ccc1)CCCCCCCCCCCCCCC	82
+c1cc(cc(c1OCC#C)OC)CCC(Cl)=O	130
+c1cc(ccc1)-c2c(F)cc(cc2)-c3nc(Cl)c4cc(c(cc4n3)OC)OC(C)=O	569
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Cl)=O)n2	82
+c1cc(ccc1)-c2ccc(c(C(Cl)=O)n2)C	1077
+c1cc(ccc1)-c2nc(c3CN(C)CCCn23)C(=O)Cl	8980
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CCl	109
+c1cc(ccc1)C(Nc2ccc(c3ccccc23)S(=O)(=O)Cl)=O	895
+c1cc(ccc1)C(Oc2cc(C(Cl)=O)ccc2OC)=O	82
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)SC=Cc4c(CCl)ncs4	8981
+c1ccccc1C2=C(CN(C(=O)C)CC2)CCl	8982
+c1cc(ccc1)C2=CN(CCCCl)C(=O)c3ccccc23	221
+c1cc(ccc1C(Cl)Cc2ccccc2)CCCC(=O)OC	525
+c1cc(ccc1)CN2CCC(C2)CCl	221
+c1ccccc1COc2cc(OCc3ccccc3)c(C(Cl)=O)cc2Br	82
+c1ccccc1COc2c(ccc(OCc3ccccc3)c2)CCl	109
+c1cc(ccc1)COc2ccc(C=CC(Cl)=O)cc2OC	3020
+c1cc(ccc1)Oc2c(c(NCCCCCCl)c(c(n2)C)C)[N+]([O-])=O	221
+c1cc(ccc1Cl)-c2ccc(C)c(c2)CC(=O)Cl	130
+c1cc(ccc1C(Cl)C)-c2ccc(cc2)Cl	525
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)Cl	8983
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)OCC(Cl)=O	130
+c1ccccc1-c2ccc(cc2)-c3nocc3CCl	1703
+c1cc(ccc1CCl)-c2sc3c(nccc3Oc4ccc([N+]([O-])=O)cc4F)c2	109
+c1cc(ccc1-n2c(ncc2C(C)(C)c3ccc(Cl)c(Cl)c3)CCl)F	2176
+c1cc(ccc1C#Cc2cc(F)ccc2)C(=O)Cl	82
+c1cc(ccc1C#N)CC(NC2CCN(CC2)C(CCl)C)=O	221
+c1cc(ccc1C(=CC(=O)Cl)c2ccccc2)[N+](=O)[O-]	3020
+c1cc(ccc1CC(C)=O)C(=O)Cl	82
+c1cc(ccc1OC(=O)C)C(Cl)=O	82
+c1cc(ccc1C(Cl)=O)OCCCCCC	82
+c1cc(ccc1C(Cl)=O)Oc2cc(N3N=C(N(C3=O)C(F)F)C)c(F)cc2Cl	82
+c1cc(ccc1C(C(C)C)C(Cl)=O)N=[N+]=[N-]	130
+c1cc(ccc1C(c2cnccc2)CCCCCl)F	221
+c1cc(ccc1-c2ccc(cc2)C(Cl)=O)OCCCCl	82
+c1cc(ccc1-c2ocnc2C)C(=O)Cl	82
+c1cc(ccc1C(=O)Cl)C2(SC(=NC(c3ccc(cc3)F)C)NC2=O)C	82
+c1cc(ccc1C(=O)Cl)NC(c2c(C)cccc2)=O	82
+c1cc(ccc1F)C(c2ccc(cc2)F)(C(=O)Cl)CCCBr	130
+c1cc(ccc1C(c2ccccc2)=O)C(Cl)=O	82
+c1cc(ccc1C=CC(Cl)=O)C	3020
+c1cc(ccc1C)S(=O)(=O)Oc2c(ccc(CCl)c2)OC	109
+C1CC(CCC1c2ccc(cc2)C(Cl)=O)CCC	82
+c1cc(ccc1C)C=C(C)CCl	8984
+c1cc(ccc1C=CCCl)C#Cc2ncc(cc2)-c3ccc(cc3)Cl	8985
+c1cc(ccc1C(Cl)=O)C=O	82
+c1cc(ccc1C(C)Cl)CC=C(C)C	525
+c1cc(ccc1CCC(=O)Cl)OCC=C	130
+c1cc(ccc1CCC)OC(C)C(Cl)=O	130
+c1cc(ccc1CCCCOCCCCBr)C(=O)Cl	82
+c1cc(ccc1CCCl)-n2c3c(c(C)cc(C)n3)nc2CC	221
+c1cc(ccc1CCS(=O)(=O)Cl)Br	1439
+c1cc(ccc1CN2C(C(=C(C(=C2)CCl)C(=O)OC)Cl)=O)OC	8986
+c1cc(ccc1CCl)-c2[nH]c3ncnc(NCc4ccc(nc4)OC)c3c2	109
+c1cc(ccc1CCl)-c2occ(n2)C(=O)OCC	109
+c1cc(ccc1OC(C)C(=O)OC)CCl	109
+c1cc(ccc1CCl)Sc2c(O)nc(nc2C)N	109
+c1cc(ccc1Cc2c(C)nc(N)nc2NCCCCC)CCl	109
+c1cc(ccc1OCCCCl)Cc2c(NCCCCC)nc(N)nc2C	221
+c1cc(ccc1Cc2c(OCc3ccccc3)cccc2)CCl	109
+c1cc(ccc1Cl)-c2c(cncc2)CCl	447
+c1cc(ccc1Cl)-c2cncc(CCl)c2	447
+c1cc(ccc1-n2c(c(C(=O)Cl)cn2)C)Cl	3017
+c1cc(ccc1Cl)C(=O)c2cccc(c2C)C(Cl)=O	82
+c1cc(ccc1C(Cl)c2ccc3c(c2)c(cc(n3)O)-n4ccnc4)Cl	1440
+c1cc(ccc1Cl)C(Cl)c2ccccc2Cl	1440
+c1cc(ccc1Cl)C(Cl)c2cccc(c2)Br	1440
+c1cc(ccc1Cn2nc(cc2-c3cc(C)c(Cl)cc3)C(Cl)=O)C	1077
+c1cc(ccc1F)-c2ccc(c(C)n2)CCl	447
+c1cc(ccc1F)-n2nc(c(OCC)c2)C(=O)Cl	1077
+c1cc(ccc1F)C(=O)c2cncc(CCl)c2	447
+c1cc(ccc1I)-n2cc(nc2)CCl	3221
+c1cc(ccc1CC(Cl)=O)I	130
+c1cc(ccc1N2C=CC=CC2=O)C(=O)Cl	82
+c1ccccc1COc2ccc(cc2)N3C(CC(CCl)C3)=O	221
+c1cc(ccc1Nc2ncc(cn2)CCl)Cl	4644
+c1cc(ccc1OC(=O)C)C=C(C)C(Cl)=O	3019
+c1cc(ccc1C(Cl)=O)OCC#CC	82
+c1cc(ccc1C=O)OCC(Cl)c2ncc(cc2)CC	4646
+c1cc(ccc1OCC)CC(Cl)=O	130
+c1cc(ccc1C(Cl)=O)-c2ccc(cc2)OCCCCCCCCCC	82
+c1cc(ccc1OCCc2ncc(CCl)cc2)[N+]([O-])=O	447
+c1cc(ccc1OCc2csc(-c3ccccc3)n2)CCl	109
+c1cc(ccc1Oc2c(CCl)cc(cc2)C)C	109
+c1cc(ccc1S(=O)(=O)n2c3nccc(CCl)c3cc2-c4c5c(n(C)c4)cc(c(OC)c5)OC)C	109
+c1cc(ccc1SC)CC(Cl)=O	130
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(=O)Cl	130
+c1cc(ccn1)OCCOc2cc3ncnc(Cl)c3cc2OC	569
+C1(Cl)CCOc2cc(ccc12)F	525
+c1cc2c(cc(cn2)C#N)cc1CCl	109
+c1cc2c(cccc2)nc1COc3cc(CCl)ccc3	109
+c1ccc2c(C(=O)N(C2=O)C(C(=O)OC)(CC(Cl)=O)CF)c1	130
+c1ccc2c(c1)cc3c(cccc3)c2C(=O)Cl	82
+c1cccc2C=Cc3ccccc3C(c12)Cl	1440
+c1ccccc1-c2cn(-c3ccc4nc(c(cc4c3)Cc5ccccc5)Oc6c(C(Cl)C)cc(F)cc6)nn2	525
+c1cc(ccc1C(Cl)c2ccccc2)Cl	1440
+c1ccccc1C(c2ccccc2)=C(C#N)C(=O)Cl	3019
+c1ccccc1C2(c3ccccc3)C(N(CC)CC2CCCl)=O	221
+c1ccccc1CC(NCCc2c3c(ccc2)ccc(c3)C(=O)Cl)=O	82
+c1ccccc1CCN2C3CC(CC2CC3)=C(c4ccccc4)c5ccc(cc5)C(Cl)=O	82
+c1ccccc1CCOc2c(CCCCCl)cc(cc2)Cl	221
+c1ccccc1CCOc2c(cc(cc2)Cl)CCCCl	221
+c1ccccc1COC(NCCS(=O)(=O)Cl)=O	1439
+c1ccccc1COc2c(c(OC)cc(n2)C)CCl	447
+c1ccccc1COc2cc(F)cc(c2OC)CCl	109
+c1ccccc1COc2cc(F)c(cc2)C(Cl)=O	82
+c1ccccc1COc2cc3c(C(N(CC(C)C)C(=C3c4ccccc4F)CCl)=O)cc2	8987
+c1ccccc1COc2cc3C(=C(N(CC(C)C)C(c3cc2)=O)CCl)OCCCC	3750
+c1ccccc1COc2ccc(cc2)CCCCCCCS(=O)(=O)Cl	1439
+c1ccccc1COc2ccc(C(=O)Cl)cc2Cl	82
+c1ccccc1COc2ccc(CCl)cc2[N+]([O-])=O	109
+c1ccccc1COc2c(cccc2)CCl	109
+c1ccccc1OCCCCC(CCl)C	221
+c1ccccc1Oc2ccccc2Cn3nc(C(Cl)=O)cc3	1077
+c1ccccc1Oc2cc3C(C=C(C(=O)Cl)Oc3cc2NS(=O)(=O)C)=O	8988
+c1ccccc1Oc2cccc(Oc3ccccc3)c2C(Cl)=O	82
+c1ccccc1Sc2c(cc(Br)cc2)CCl	109
+c1ccccc1Sc2ccc(F)cc2CCl	109
+c1cccn1-c2cc(ncc2)CCl	512
+c1n2c(nc1)ccc(CCl)n2	512
+c1nn(c2c1C(CCCl)CCC2)-c3cc(c(cc3)Cl)Cl	221
+c1c(ccc2n(c(nc12)CN(CCC)C(c3c(F)ccc(F)c3)=O)CCC)CCl	109
+n1[nH]c2c(C(N(C(=O)N2CCCl)CCCC)=O)c1NC	221
+n1c(Br)ccc(c1)C2N(c3c(Cl)cccc3)N=C(C2)C(=O)Cl	3586
+ClC(COc1nc(c(Cl)cc1Cl)F)=O	130
+n1c2c(n(CCCCCl)c1)cccc2	221
+n1onc2cc(C(=O)Cl)ccc12	82
+o1c(c(c2c1ccc(Br)c2OC)C)CCl	2240
+o1c2c(cc(cc2)C(=O)OC)c(c1CCl)C	2240
+s1c2cc(ccc2cc1CCl)Oc3sc4c(nccc4)n3	3016
+c1(C(=O)O)cncc(-c2sc(Cl)nc2)c1	8989
+c1(C=O)c(Cl)[nH]c(-c2cccnc2)n1	614
+c1(nc(-n2c3ccccc3nc2Cl)nc(Cl)n1)C	4647
+C1COC2(O1)CCN(CC2)c3nc4ccccc4[nH]3	2071
+c1cc(ccc1)C(c2ccccc2)(O)C3CCN(CC3)c4nc5c(cccc5)[nH]4	2071
+c12n(c(nc1cccc2)Cl)-c3ncnc(Cl)c3	4648
+O=Cc1ncc(-c2c(Cl)cc(cn2)C(=O)OC)cc1	501
+c12ccccc1n(cc2C(=NO)C)-c3c(Cl)cc(C(=O)N)cc3	1375
+c1cc(ccc1)C(NC(=O)Nc2cc(Cl)c(c(COC)n2)C#N)C	2077
+N#Cc1cnc2c(ccs2)c1Cl	1014
+c1cc(ccc1)NCC(Nc2cccc(Cl)c2C(O)=O)=O	4649
+c1cc(ccc1OCC)C(=O)c2cc(c3c(c2Cl)CC(O3)C)Br	358
+c1ccccc1CONC(=O)c2c(nc(Cl)c(F)c2)Cl	1546
+Clc1cc(c(-c2c(C(=O)OC)cncc2)cc1)F	699
+Clc1c(c(F)ccc1)C(C)CO	88
+c1ccccc1NC(=O)c2c(Cl)cccc2C	50
+FC(F)(F)C(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)(CNC(=O)c3c(cccc3F)Cl)O	93
+c1(c(ccnc1Cl)NC(=O)c2c(Cl)cccc2F)F	50
+c1cc(ccc1F)S(=O)(=O)N2c3cc(c(C)cc3CCC2)NC(c4c(F)cccc4Cl)=O	50
+c1(Cl)c(cc(F)c(C)n1)C(=O)OC	4650
+c1cc(ccc1N=C(c2cc(Cl)c(C)cc2)N)S(=O)(=O)C	1748
+FC(F)C(=O)CC(c1ccc(C)c(Cl)c1)=O	2201
+Clc1c(CC)c(F)ccc1	1393
+c1(ccc(F)c(CC)c1Cl)C(=O)C	94
+S(c1[nH]c2c(n1)ccnc2)Cc3c(F)cccc3Cl	8990
+Clc1c(COc2cccnc2N)c(Cl)c(F)cc1	161
+c1cc(ccc1C2CC(N(CC(Oc3c(Cl)c(Cl)c(c(Cl)c3Cl)Cl)=O)C2)=O)Cl	2850
+NCCNc1c([N+](=O)[O-])cc(Cl)c(Cl)c1	205
+c1cc(ccc1)C(c2ccccc2)N3CCN(CC3)CCCNc4cc(Cl)c(cc4[N+]([O-])=O)Cl	53
+c12cc(Cl)c(Cl)cc1OCC(=O)N2	1290
+c1cnc(Cl)c(Cl)c1I	916
+c1cc(ccc1-c2c(cccn2)Cl)C(O)=O	140
+c1c(CCCO)c(F)c(Cl)cc1	213
+c1cc(ccc1OC)C(c2c(c(ccc2)Cl)F)=O	705
+O=Cc1cc(F)c(Cl)cc1O	502
+O=S(=O)(Nc1ncc(cc1)F)c2ccc(Oc3cc(Cl)c(F)nc3)c(C#N)c2	551
+O=S(=O)(c1c(ccc(NC(=O)Nc2c(cccc2)Cl)c1O)Cl)NCC	124
+c1cnccc1-c2c(-c3cccc(NC(=O)Nc4c(Cl)cccc4)c3)cn(CC)n2	124
+c1(I)c(OC)c(Cl)cc(c1)C(=O)OC	297
+c1cc(ccc1CN2C=C(C=C(Cl)C2=O)[N+](=O)[O-])OC	8991
+c1(cc(c(Cl)cc1Cl)OC)CC(O)=O	459
+OC(c1cc(Cl)c(SC)nc1)C	652
+Nc1cccc(Cl)c1SCCCCl	0
+Nc1c2c(ccc1Cl)nc(C)cc2	0
+Nc1c(Cl)ccc(C#N)c1	0
+FC(F)(F)CCCNc1ccc(cc1[N+](=O)[O-])C#N	205
+c1cc(ccc1)-c2c([N+](=O)[O-])cc(C#N)cc2	667
+Nc1ccc(C(=O)c2ccccn2)cc1[N+]([O-])=O	4651
+c1cc(ccc1Nc2sc(C(c3ccc(c([N+]([O-])=O)c3)Cl)=O)c(N)n2)N4CCN(CC4)C	4652
+Clc1c([N+]([O-])=O)cc(C)c(c1)C(=O)O	4653
+Nc1cc(OCC(OC)=O)ccc1Cl	0
+c1(Cl)cc(NC(c2ccc(c(Cl)c2)Cl)=O)c(cc1N)O	0
+Nc1c(Cl)cc(O)c(F)c1	0
+c1([N+]([O-])=O)cc(ccc1NC)C(=O)OC	205
+COc1cc(c(F)cc1)-c2c([N+]([O-])=O)cc(cc2)C(=O)OC	667
+c1cc(ccc1Br)C(C)Oc2ccc(c(c2)[N+]([O-])=O)Cl	8992
+Nc1cc2CN(C(c2cc1Cl)=O)C	0
+c1(I)c(nccc1Cl)NN	383
+FC(F)(F)c1c(Cl)nccc1OCC(c2c(cccc2Cl)F)C	260
+FC(F)(F)CCN1CC(N(Cc2c(cccc2F)Cl)c3ccc(C#N)c(c3)Cl)CC1	507
+Brc1nc2c(C(N(C(=O)N2C)C)=O)n1Cc3c(F)cccc3Cl	371
+C1CC1NS(=O)(=O)c2c(ccc(NC(=O)Nc3c(Cl)c(ccc3)Cl)c2O)Cl	124
+c1ccccc1-c2c(c([N+]([O-])=O)ccc2)F	667
+C(c1cccc(Cl)c1C)(=O)OC	4654
+c1c2c(CCC(C)N2)c(c(Cl)c1)Cl	2648
+Nc1c2cc(C)n(C(=O)OC)c2ccc1Cl	0
+O=Cc1cc(-n2nccc2)ccc1Cl	760
+C1CC1c2c(nc(c(C#N)c2)Cl)Cl	8993
+Ic1c(C#N)c(Cl)nc(Cl)c1F	916
+c1(nc(C)ccc1C(=O)O)N	664
+c1(C(NCC(CC)O)=O)ccc(C)nc1Cl	56
+FC(F)(F)S(=O)(=O)Nc1ccc(cc1Oc2c(Cl)cc(cc2)Cl)Cl	1422
+c1c(-c2ccc(cc2Cl)O)c(ccc1)F	11
+c1nc(ncc1COC)N2CCC(CC2)C3C(CCOc4ccc(c(Cl)c4)Br)C3	20
+O=S(=O)(NC(=O)c1c(cc(COc2cc(c(C#N)cc2)Cl)c(F)c1)F)N(C)C	22
+C(O)c1ccc(O)cc1Cl	49
+Clc1c(ccc(C(=O)C)c1)Br	1024
+c1([N+]([O-])=O)ccc(Cl)c(c1)CC(=O)O	77
+Clc1cc(ccc1)Nc2nccc(-c3cccnc3Cl)n2	55
+FC(F)(F)c1c(cc(cc1)C(=O)OCC)Nc2c(-c3ccncn3)cccn2	201
+FC(F)(F)Oc1cc(c(O)cc1)NC(=O)c2c(cncc2)Cl	67
+c1cc(ncc1CO)NCc2ccncc2Cl	295
+O(c1c(c(cc(c1OC)OC)C)C(c2c(c(Br)cnc2OC)Cl)=O)C	814
+c1cccc2CCc3ccncc3C(NC(NNc4c(cc(C(O)=O)cn4)Cl)=S)c12	8994
+FC(F)(F)COc1cc(Cl)c(C(C)=O)nc1	4655
+O=S(=O)(C)OCC1Cc2cccc(Cl)c2O1	7
+C(c1c2cccc(Cl)c2oc1)C#N	8995
+c1cc(ccc1)Oc2cc(C)nc3C(CCCc23)O	242
+c1(ccc(Cl)c(-c2ncnc3c(Cl)cccc23)c1)OC	198
+Clc1c2CCNCCc2cc3c1NC(=O)CC3	215
+[N-]=[N+]=Nc1cc(nc2c(ccc(F)c12)F)C	1756
+c12CCNCCc1cccc2Cl	2436
+O=S(=O)(C)c1ccc(cc1)Oc2cc(-c3c4c(c(N)n[nH]4)ccc3)nc5n(ncc25)C	8996
+c1c(c(cc(c1)CNc2c3ccccc3nc4CN(C(=O)c24)CC)Cl)OC	105
+C(c1cc(Cl)c2c(nccc2)c1N3CC(CC3)F)(N)C	474
+C(c1cc(Cl)c2c(nccc2)c1N3CC(CC3)O)(N)C	474
+Clc1c2c(nccc2)c(c(C(=O)C)c1)N3CC(CC3)O	1024
+c1ccccc1Nc2c3c([nH]c4CCNCc34)ncc2	698
+c1(cc2ncc(c(Nc3cccc(c3)N)c2cc1OC)C#N)OC	179
+c1cc(ccc1)S(=O)(=O)n2ccc3c2ncc(c3Cl)Br	276
+C1(=CC(C(=O)OC)=C(c2cc(F)ccc2)[N+](C1=C=[N-])=O)Cl	8997
+FC(F)(F)Oc1cc(cc(-c2n(nc(C(=O)N3CNC(=O)C3)c2)-c4cncc(c4)Cl)c1)Br	8998
+FC(F)(F)Oc1cc(cc(c1)Br)-c2cc(C(O)=O)nn2-c3cncc(c3)Cl	8999
+Clc1cc(-c2cc3[nH]c(NC(c4nc5cccc(Cl)n5c4)=O)nc3cc2)cc(c1)F	4021
+Clc1cccc(-c2sc(cc2Br)C(=O)OCC)c1	1191
+Clc1cc(-n2c3c(cc(OC)cc3)cc2)c(NCC(=O)O)cc1	3
+Clc1cc(c(N)c(N)c1)Br	0
+Clc1cc(Br)c(OC)c(N)c1	0
+Clc1cc(c(cc1)CC[N+](=O)[O-])Br	364
+FC(F)Oc1c(Br)cc(Cl)cc1	824
+N#Cc1c(Br)cc(Cl)cn1	942
+Clc1cc(c2[nH]ccc2c1)C(=O)O	9000
+c1(cc(c(c(Cl)c1)Cl)Br)OC	9001
+Clc1cc(Br)cc(OCC(CNC)O)c1	122
+Clc1cc(Br)cc(Oc2c3c[nH]nc3ccc2Cl)c1	9002
+Clc1cc(Br)cc(Oc2c3c([nH]cn3)ccc2Cl)c1	631
+Clc1cc(Br)cc(Oc2c(Cl)ccc(N)c2N)c1	0
+Clc1cc(Br)cc(Oc2c(N)c(OC)ncc2COCC)c1	382
+Clc1cc(C#N)cc(Oc2c(N)c(OC)ncc2CO)c1	160
+Clc1cc(Br)cc(Oc2c(N)c(OC)ncc2CO)c1	665
+Clc1cc(Br)cc(Oc2c(ccnc2O)C)c1	3021
+Clc1cc(Br)cc(Oc2c(ccnc2NN)C)c1	383
+Clc1cc(C#N)cc(Oc2c3c([nH]cn3)ccc2Cl)c1	160
+Clc1cc(C#N)cc(Oc2c3c[nH]nc3ccc2Cl)c1	160
+c1cc(ccc1CNc2c([N+](=O)[O-])cnc(Br)c2)OC	105
+Clc1cc(c(cc1)-n2ncnc2)C#N	9003
+n1(-c2cc(C#N)c(cc2)[N+]([O-])=O)ccnc1	2067
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(CN)c2F)c1	1551
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(c2F)CNC(c3cc4c(c(C)ccc4)[nH]3)=O)c1	81
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(c2F)CNC(c3cc4cc(ccc4[nH]3)OCCSC)=O)c1	81
+Clc1cc(C#N)cc(Oc2c(c(C)ccc2N)F)c1	0
+Clc1cc(C#N)cc(Oc2c3c(Cl)n[nH]c3ccc2Cl)c1	2209
+Clc1cc(C#N)cc(c1)OC2=C(C)C=CN(CCc3n[nH]c4ncccc34)C2=O	1002
+Clc1cc(ccc1-n2cc(C(C)=O)c3ccccc23)C#N	1995
+c1c(c(Nc2cc(C#N)ccc2[N+]([O-])=O)ccc1F)F	1370
+c1c(C#N)c(Cl)cc(C(=O)C)c1O	160
+c1(I)c(c(C(=O)C)cc(Cl)c1C)O	235
+Clc1cc2c(N=C(c3cc(nn3-c4ncccc4Cl)Cl)OC2=O)c(C)c1	2241
+Clc1cc2c(N=C(c3n(nc(Br)c3)-c4ncccc4Cl)OC2=O)c(C)c1	4656
+Clc1cc(CO)cc(OC)c1	49
+Clc1cc(C(=O)OC)c(c(N)c1)C	0
+Clc1ccc(-c2nc(C)no2)c(CO)c1	98
+c1cc(ccc1CC2(C(C)(C)CN(CC2)CCCOc3c(cc(cc3)Cl)C(OC)=O)O)Cl	28
+FC(F)(F)S(=O)(=O)Nc1c(cc(cc1)Cl)C(=O)CC	1422
+Clc1cc(C(CC)=O)c(N)cc1	0
+c1(cc(Cl)c(cc1)C#N)C(NC(=O)c2cc(n3CCOCc23)C(=O)N4C(C)CCC4)CC	56
+Clc1ccc(OC)c(-c2oc(nc2)CCCCC(OC)=O)c1	4657
+FC(F)(F)c1cc(-c2ncc(nc2)NC(c3c(ccc(Cl)c3)[N+](=O)[O-])=O)ccc1	1542
+Clc1ccc(c(C(Nc2ncc(-c3cc(C)c(cc3)C)nc2)=O)c1)[N+]([O-])=O	1542
+Clc1ccc(c(C(Nc2nn(cc2)-c3ccc(c(C)c3)C)=O)c1)[N+]([O-])=O	330
+O=S(=O)(CC)NC1c2cc(Cl)cc(C)c2OCCC1	111
+Clc1cc(C2CC(c3cc(ccc3O2)O)O)ccc1	74
+Clc1cc(ccc1)C2Oc3c(CC2)cc(cc3)O	414
+O=S(=O)(C)N1c2c(C(c3cccc(Cl)c3)C1)cccc2	1632
+c1ccc2ccc(nc2c1)COCCCCOCc3cc(cc(C)c3OCC#N)Cl	149
+Clc1cc(cc(CC#N)c1)O	5
+C(c1cc(Cl)cc(I)c1O)n2nc(cc2C)C(=O)OCC	2202
+C1CC(CCC1Nc2cc(Cl)cc[n+]2[O-])NCc3ccccc3	1911
+c1cc(ccc1)CNC2CCC(CC2)CNc3[n+]([O-])cc(C)c(Cl)c3	1911
+Clc1cc(Cl)c(N2CCCn3c4c(CO)ccc(Cl)c4nc23)cc1	295
+Clc1cc(Cl)c(N2CCCn3c4c(c(Cl)ccc4C=O)nc23)cc1	200
+FC(F)(F)C(O)c1c2c(nc3N(CCCn23)c4c(Cl)cc(Cl)cc4)c(cc1)Cl	4658
+FC(F)(F)c1c2c(n(c(n2)Oc3c(C)cc(Cl)cc3Cl)C)c(C(CC)CC)cc1	2200
+Clc1cc(N)c(OC)c(Cl)c1	0
+O=S(=O)(C)NC1C(CCCC1)N2C(c3c(cccc3)C(C(=O)OCC)C2c4ccc(cc4Cl)Cl)=O	111
+[N+](=[N-])=Nc1cc(Cl)nc(C(=O)OC)c1Br	1756
+c1cc(ccc1)C#Cc2nc(cc(Cl)c2)N	2351
+Clc1cc(Cl)[n+](cc1)[O-]	103
+Clc1c(c(Cl)ncc1)I	625
+c1(ccnc(c1)Cl)Oc2cc(F)c(N)cc2	242
+c1(c(c(c(cc1)Oc2ccnc(c2)Cl)F)F)N	242
+Fc1cc(cc(F)c1Oc2cc(ncc2)Cl)N	242
+c1ccccc1-c2cc(Cl)ccn2	140
+Clc1cc(c(cc1)CN2C(=O)C=CC(Br)=C2)F	4659
+c1cc(ccc1Oc2ccc(cc2)CN(c3cccc([N+](=O)[O-])c3C)Cc4ccc(cc4F)Cl)CCC(OC)=O	507
+Clc1cc(c(cc1)C2=CC(=O)n3c(N2)c(cn3)-c4ncccc4)F	1915
+c1c(ccc(F)c1Cl)NC=O	9004
+c1cc(ccc1C(C)C(=O)Nc2c(C(=O)OC)c(cc(Cl)c2)Cl)[N+]([O-])=O	33
+Clc1cc(N)c(cc1)C=O	39
+Clc1ccc2c(NC(N2C3CC(C)N(CC3)C(=O)OC)=O)c1	1595
+Clc1cc(N)c(CO)cc1	49
+Clc1ccc2c(c1)nc(nc2)O	4660
+FC(F)(F)c1nn(c2c1CCN(C(OC(C)(C)C)=O)C2)CC(Nc3c(OC)ccc(Cl)c3)=O	33
+O=S(=O)(Nc1c(ccc(c1)Cl)SCc2cn(cn2)CCC)c3oc4c(c3)cccc4	2686
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3cc(c(cc3)[N+]([O-])=O)N	202
+Nc1c(cc(I)c(Cl)c1)[N+]([O-])=O	235
+Nc1cc(SC)ccc1[N+]([O-])=O	972
+c1(NC(C)=O)cc(Cl)c(cc1C(=O)OC)[N+]([O-])=O	31
+c1c(NC(C)=O)cc(C)c(C(=O)C)c1Cl	94
+c1(cc(Cl)cc(c1NC(c2n(-c3c(Cl)cccn3)nc(Br)c2)=O)Cl)NC(=O)OC	187
+Clc1cc(NC(OC)=O)c(N)c(Cl)c1	0
+Clc1cc(Nc2c(c(n[nH]2)N)C(=O)N)ccc1	9005
+FC(F)Oc1c(cc(cc1)CNc2n[nH]c(Nc3cccc(Cl)c3)c2C#N)O	811
+Clc1cccc(Nc2c(c([nH]n2)N=Cc3cccc(OCCO)c3)C(N)=O)c1	4661
+n1cccnc1Oc2ccc(cc2)CNc3[nH]nc(c3C(=O)N)Nc4cccc(c4)Cl	811
+c1ccccc1COc2c(c(Cl)cc(Cl)c2)C=O	22
+Clc1cc(c(CO)cc1)O	49
+O=S(=O)(Oc1cc(cc(c1)OC)Cl)C	444
+c1c(I)cc(c(Nc2c([N+]([O-])=O)cnc(O)c2)c1)F	179
+Clc1cc(c(CO)cc1)OC(C)C(OC)=O	41
+Clc1cc(OC(CCCI)c2cccs2)c(Cl)cc1	363
+c1cc(ccc1C(NCCc2c(cc(Cl)cc2OC)Cl)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	14
+Clc1cc(OC)c(c(Cl)c1)CCN	157
+c1(cc2c(cc1F)[nH]c(-c3ccc(cc3OC)Cl)n2)F	1127
+Clc1cc(c(CCC#N)cc1)OC	9006
+c1(c(cc(I)c(Cl)c1)[N+]([O-])=O)OC	235
+FC(F)(F)C1CCCN(C1)c2c(cc([N+](=O)[O-])c(c2)NC)Cl	202
+FC(F)(F)C1CCN(CC1)c2cc(c([N+](=O)[O-])cc2Cl)NC	202
+c1(O)cc(Cl)c(cc1N)Cl	0
+Clc1cc(N)cc(C)c1	0
+Clc1cc(c(-c2c(cncc2)C(=O)O)cc1)F	1
+Clc1cc2c(-c3c(cncc3)C(=O)N2C)cc1	9007
+Clc1cc(c(-c2c(C(NC)=O)cncc2)cc1)F	56
+Nc1cc(Cl)c(C)cc1Br	106
+C(c1c(c(C(=O)OC)ccc1Cl)O)C=C	423
+O=S(=O)(Cc1c2[nH]cc(C(c3c(F)cc(Cl)cc3)C4CC4C#N)c2ccc1)C	2523
+Clc1cc(c(c([N+]([O-])=O)c1)C)C(=O)O	31
+Clc1cc(OC)c(cc1)-c2cc(ncc2)O	9008
+Clc1cc(c(C2CC(=O)NC(=C2C(=O)O)C)cc1)F	127
+Clc1cc(c(C2CC(=O)NC(=C2C(Nc3cc(Cl)c4n[nH]cc4c3)=O)C)cc1)F	4662
+Clc1cc(OC)c(c(Cl)c1)CC[N+](=O)[O-]	364
+Clc1cc(c(C=C[N+]([O-])=O)c(Cl)c1)OC	417
+c1cc(ccc1N2C(c3c(C2)ccc(Cl)c3)=O)C(C)C	1473
+O=S(=O)(c1cc(c(cc1)Oc2c(ccc(Cl)c2)CCC#N)Cl)C	46
+Clc1cc(c(CCC#N)cc1)O	5
+c1ccccc1COc2cc(Cl)ccc2CO	22
+Clc1cc(c(cc1)COc2ccnn2-c3nccc(C#N)c3)OC(CC)C	4663
+Clc1cc(OCCC)c(cc1)COc2ccnn2-c3nccc(C#N)c3	4663
+Clc1cc(OC(CCCCl)c2cccs2)c(Cl)cc1	20
+n1cc(cnc1N2CCC(CC2)Oc3cc(ccc3Cl)Cl)-c4nn(nn4)CC(OCC)=O	20
+Clc1ccc(I)c(CO)c1	49
+c12c(cc(Cl)cc1C(OC(=N2)c3cc(Br)nn3-c4c(Cl)cccc4)=O)Cl	4656
+Clc1cc(c2c([nH]cn2)c1)Br	631
+Clc1cc(c(cc1)-n2nnnc2)C(=O)O	1441
+Clc1cc(c(cc1)N)C(Nc2ccccc2Cl)=O	67
+Clc1cc(c(N)cc1)C(=O)c2ccccn2	9009
+O=S(=O)(Nc1c(C(OC)=O)cc(cc1)Cl)c2cccc3nsnc23	4664
+Clc1ccc(N)c(C(O)c2c(OCC)c(ccc2)OC)c1	488
+O=S(=O)(Nc1c(cc(Cl)cc1)C(=O)c2ccccn2)c3ccc(cc3)OC	69
+c1cc(ccc1S(=O)(=O)Nc2c(cc(Cl)cc2)C(=O)c3ccccn3)C4(CCOCC4)C	69
+c1cc(ccc1S(=O)(=O)C)S(=O)(=O)Nc2c(C(c3cnccc3)=O)cc(cc2)Cl	69
+c1cc(ccc1-c2cnc(C)o2)S(=O)(=O)Nc3c(C(=O)c4ccc(nc4)C)cc(cc3)Cl	69
+O=C1c2ccccc2C(=O)N1c3c(F)cc(cc3)Cl	668
+c1cc(ccc1)-c2ccc(cc2F)Cl	4665
+Clc1cc(Oc2ccc([N+]([O-])=O)cc2Cl)c(N)cc1	46
+[N+]([O-])(=O)c1c(c(Cl)c(Cl)c(Cl)c1)N	196
+c1c(c(N)cc(c1Cl)Sc2cc(C)ccc2)[N+]([O-])=O	825
+Clc1cc2c(O)nc(CCC)nc2cc1	1677
+Clc1cc(c(NCC(OCC)=O)cc1)Oc2ccc(N)cc2Cl	0
+Clc1cc(c(Nc2c3c(cc(OCCCC(=O)O)c(OC)c3)ncn2)cc1)F	3
+Clc1cc(N)c(O)c(CCc2ncccc2)c1	0
+CCOc1c(F)cc(Cl)c([N+](=O)[O-])c1Br	31
+Clc1cc([N+](=O)[O-])c(NC)cc1Cl	60
+Clc1cc([N+]([O-])=O)c(SC)cc1Cl	411
+Clc1cc(c(c(CO)c1)Cl)OC	98
+Clc1cc(c(Cl)c(CC#N)c1)OC	163
+OB(O)c1cc(cc(Cl)c1Cl)Cl	422
+c12c(ncnc1nc[nH]2)NC(C)c3c(c([N+]([O-])=O)c(c(Cl)c3)C)-c4cc(F)ccc4	2042
+Clc1cc(c(cc1)-c2cc(N)c(cc2)CC)F	0
+Clc1ccc(-n2ncnc2)c(CN)c1	107
+Clc1ccc(-n2ncnc2)c(CO)c1	611
+Clc1cc(c(cc1)-n2nnnc2)C(N(OC)C)=O	280
+Clc1ccc(c(C=O)c1)-n2nnnc2	760
+Clc1cc(OC)c(cc1)C=CC#N	858
+c1cc(ccc1C(=O)c2c(cc(OC)c(Br)c2)Cl)CC	358
+Clc1ccc2c(nc3c(c2N)C(CCC3)=O)c1	9010
+Clc1cc(c(cc1)C(N)=S)OC	581
+Clc1cc(c(cc1)C(=O)OCC)Br	9011
+c1ccccc1Nc2c(C(O)=O)ccc(Cl)c2	230
+Clc1ccc(C(=O)O)c(Nc2ccccc2Cl)c1	230
+Clc1cc(c(cc1)C(=O)N)F	169
+O1C(=O)C(C(OC1(C)C)=O)C(c2ccc(Cl)cc2F)=O	3548
+c1cc(ccc1)NCC(Nc2c(ccc(Cl)c2)C(=O)O)=O	4649
+c1ccccc1COc2c(-c3c(-c4c(C(=O)OCC)c(cc(Cl)c4)Br)cccc3)cccc2	3022
+Clc1cc(c(C(C2CC2C#N)O)cc1)F	74
+Cc1nc(sc1C(=O)OCC)-c2ccc(Cl)cc2OC	2242
+c1cc(ccc1)C=Cc2cc(ccc2C3CNC(C3)=O)Cl	722
+c1ccccc1C(=O)c2cc(ccc2C3CNC(=O)C3)Cl	2227
+c1cc(ccc1Oc2c(cc3c(OCCC3C(OCC)=O)c2)Cl)C(=O)NCCc4ccc(Cl)cc4Br	14
+Clc1cc(c(cc1)CCN)Br	157
+c1cc(ccc1OC)C=2C=CC(N(C=2)Cc3c(cc(Cl)cc3)F)=O	2243
+Clc1ccc(N)c(C(=O)c2c(c(OC)ccc2)OC)c1	335
+c1cc(ccc1)[Si](c2ccccc2)(OCC(C)(C)CNc3c(C(O)c4cccc5ccccc45)cc(cc3)Cl)C(C)(C)C	291
+Clc1cc(c(cc1)Nc2n(c3c(ccc(c3n2)Cl)C(OC)=O)CCCO)Cl	3023
+Clc1cc(Cl)c(N2CCCn3c2nc4c(ccc(c34)C(OC)=O)Cl)cc1	2393
+Clc1cc(c(cc1)O)C(=NNC(c2cc(Br)c(Cl)cc2)=O)C	2085
+CN(C)C=CC(c1c(ccc(Cl)c1)O)=O	277
+c1ccccc1COc2c(cc(Cl)cc2)C(C)=O	22
+Clc1ccc(c(OC)c1)Oc2c(Br)cc(C#N)cc2	46
+c1cc(c(COc2c(cc(cc2)Cl)OC)c(F)c1F)OC	139
+Clc1cc(C(CNC(=O)CCCCC(OC)=O)=O)c(cc1)OC	612
+c1c(c(F)c(C(=O)O)c(Cl)c1)OC	634
+Clc1cc(Cn2ccnc2)c(cc1)Oc3c4c(cccc4)ccc3	371
+c1cc(ccc1)CSCc2c(ccc(Cl)c2)Oc3c(ccc(CC(=O)OCC)c3)OC	639
+Clc1ccc(c(CO)c1)Sc2cccs2	49
+Clc1cc(-n2c3c(cc(OC)cc3)cc2)c(N)cc1	0
+c1cc(ccc1)CN2CCN(CC2)c3cc(C(O)=O)c(cc3)[N+](=O)[O-]	202
+Clc1cc(c(cc1)[N+]([O-])=O)-n2c3c(cc(OC)cc3)cc2	1995
+c1cc(ccc1)-c2ccc([N+](=O)[O-])c(F)c2	667
+c1cc(ccc1)Nc2cc(Cl)ccc2[N+]([O-])=O	275
+FC(F)(F)c1nn(-c2ncccc2Cl)c(C3=Nc4c(C(=O)O3)cc(Cl)cc4Br)c1	9012
+FC(F)C=1N=CN(Cc2ccc(cc2)OC)C(=O)C=1Oc3cc(cc(Cl)c3)C#N	9013
+Clc1cc(cc(CC#N)c1)Br	163
+Clc1cc(cc(c1)COc2cccnc2)Br	483
+C(c1cc(cc(Cl)c1)Br)C(=O)O	9014
+Clc1cc(cc(Cl)c1)-c2[nH]ncc2Cl	697
+Clc1cc(cc(Cl)c1)-c2cn(CC(O)=O)cc2C#N	4
+c1c(Cl)cc(cc1C(C)(C)C(=O)O)Cl	4
+Clc1cc(cc(Cl)c1)C(C)(C)C(=O)N(C)c2cnc(N3C(CO)CC(C3)O)cc2-c4c(Cl)cccc4	43
+Clc1cc(cc(Cl)c1)-c2ccn[nH]2	927
+Clc1cc(cc(Cl)c1)C=2CC(C(=O)O)(ON=2)CO	3
+c1(Cl)cc(cc(Cl)c1)-c2c[nH]cc2C#N	9015
+c1c(Cl)cc(cc1CCC(=O)O)Cl	159
+Clc1cc(cc(Cl)c1)C=CC#N	2368
+c1c(Cl)cc(cc1C=NO)Cl	135
+c1c(Cl)cc(cc1CNc2ccc3c(c(Cl)nnc3O)c2)Cl	250
+C1CN(CCC1CC(NCCc2cn(nn2)Cc3ccccc3)=O)C(OCc4cc(Cl)cc(Cl)c4)=O	9
+C1CC(CCN1C(OCc2cc(Cl)cc(Cl)c2)=O)NC(=O)CCCc3cnn[nH]3	9
+Clc1cc(cc(Cl)c1)Sc2nc3ncnc(N)c3[nH]2	4666
+Clc1cc(cc(Cl)c1)N2C(NC(=O)C(N)=C2N)=S	721
+c1c(Cl)cc(cc1N2c3c(nc[nH]3)C(NC2=S)=O)Cl	2725
+c1cc(ccc1-c2cc(ccc2)C#N)C3(CCN(CC3)CC4CC4)CN(C)C(Nc5cc(Cl)cc(c5)Cl)=O	134
+Clc1cc(cc(Cl)c1-n2nc3c(c(Cl)ncc3F)c2)[N+]([O-])=O	174
+c1(Cl)cc(cc(Cl)c1-n2nc3c(c(Nc4ncnc(c4)C)ncc3F)c2)[N+]([O-])=O	9016
+c1c(Cl)c(c(cc1Nc2nnc([nH]2)OC)Cl)Br	9017
+c1c(Cl)c(c(cc1Nc2nnc(N)[nH]2)Cl)C#N	3024
+c1c(Cl)c(c(cc1N2N=CC(NC2=O)=O)Cl)C(C(c3ccccc3)=O)c4ccc(cc4)Cl	94
+Clc1cc(cc(Cl)c1C(=O)Nc2cc(Cl)ncc2F)Cl	50
+Clc1cc(cc(Cl)c1C)N	0
+c1c(Cl)c(c(cc1N)Cl)C2CC2	0
+Clc1cc(cc(Cl)c1CCC(N(OC)C(c2cn(nc2C(F)F)C)=O)C)Cl	3025
+Clc1cc(cc(Cl)c1CCCC(C)=O)Cl	9018
+c1(cc(cc(Cl)c1CCCC(C)N)Cl)Cl	316
+FC(F)c1c(cn(C)n1)C(N(CCCc2c(Cl)cc(cc2Cl)Cl)OC)=O	3025
+C1CCCCC1C2C(N(Cc3c(cc(cc3Cl)O)Cl)CC2)=O	5
+C1CC2(CCC1)C(N(Cc3c(cc(cc3Cl)O)Cl)CC2)=O	16
+c1c(Cl)c(c(cc1CN=[N+]=[N-])Cl)Cl	925
+c1(Cl)cc(cc(Cl)c1Sc2nc3c(ccc(C#N)c3)s2)[N+]([O-])=O	9019
+c1(Cl)cc(cc(Cl)c1Sc2ccc3ccccc3c2)[N+](=O)[O-]	825
+Clc1cc(cc(Cl)c1Oc2cnc3c(C(=O)OC)cccc3c2)[N+](=O)[O-]	9020
+c1(cc(cc(Cl)c1N=Cc2c(c(Cl)cnc2)N=[N+]=[N-])C#N)Cl	3026
+Clc1cc(cc(Cl)c1N2NC(=C3C(=O)N=C(N=C23)Cc4cc(O)ccc4)C(C)C)Cl	5
+c1(cc(cc(Cl)c1-n2nc3ccncc3c2)F)Cl	3027
+Clc1cc(cc(Cl)c1Nc2nc3ccc(Br)cc3c4c2ccnc4O)-c5ccn[nH]5	104
+Clc1cc(cc(Cl)c1Nc2nc3ccncc3c4c2ccnc4O)C(C)(C)O	1033
+Clc1cc(cc(Cl)c1Nc2nc3cc[n+](cc3c4c(nccc24)O)[O-])C(C)(C)O	103
+c1c(Cl)c(c(cc1C)Cl)Oc2ccc(cc2)[N+]([O-])=O	46
+FC(F)(F)CCOc1c(cc(cc1Cl)F)Cl	8
+Clc1cc(cc(Cl)c1OCCCCOCC=O)OCC=C(Cl)Cl	598
+Clc1cc(cc(Cl)c1Oc2cc(c(cc2)O)C=O)N3C(=O)NC(C=N3)=O	5
+CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)CC(O)=O)nnc1O	3028
+c1c(Cl)c(c(cc1CO)Cl)Oc2cc3c(C(C)C)c[nH]c3cc2	41
+c1c(Cl)c(c(cc1N)Cl)Oc2cc3cc(ccc3nc2)C(=O)OC	0
+Clc1cc(cc(Cl)c1Oc2ccc(c(NS(=O)(=O)c3ccc(cc3)F)c2)O)N4C(=O)NC(C=N4)=O	5
+Clc1cc(cc(Cl)c1Oc2ccc(c(c2)N)OC)N3C(=O)NC(C=N3)=O	0
+Clc1cc(cc(Cl)c1Oc2ccc(c(NS(=O)(=O)c3ccc(cc3)F)c2)OC)N4C(=O)NC(C=N4)=O	69
+c1c(Cl)c(c(cc1N)Cl)Oc2cnc3c(C(=O)OC)cccc3c2	0
+c1c(Cl)c(c(cc1N2C(=O)NC(C=N2)=O)Cl)Sc3cc(C(C)C)c(O)nn3	9021
+FC(F)(F)c1cc(c(cc1)S(=O)(=O)Nc2cc(Cl)c(c(c2)Cl)Sc3ccc4ccccc4c3)Cl	69
+c1c(Cl)nc(cc1C(N(OC)C)=O)Cl	280
+c1c(Cl)nc(cc1C(=O)N2CCOc3ccncc23)Cl	3002
+c1cc(ccc1)COc2nc(cc(C(=O)O)c2)Cl	91
+FC(F)(F)Oc1ccc(cc1)Nc2cc(N3CCCC3)cc(n2)Cl	201
+Clc1cc(CC#N)cc(OC)c1	177
+Clc1cc(Br)cc(OCC2CO2)c1	72
+Clc1cc(Br)cc(Oc2c(Cl)cccc2[N+]([O-])=O)c1	415
+Clc1cc(cc(Oc2ccc([N+]([O-])=O)cc2C=O)c1)CC(OC)=O	46
+Clc1cc(Br)cc(Oc2cc(ccc2Cl)F)c1	46
+c1ncncc1Oc2cc(Br)cc(c2)Cl	3029
+Clc1cc(cc2cccnc12)C=C	2225
+O=Cc1cc(Cl)c2c(cccn2)c1	9022
+Clc1cc(ccc1)C2Oc3c(cc(Oc4ncc([N+]([O-])=O)cc4)cc3)CC2	9023
+Clc1cc(ccc1)C2c3cc(OC)ccc3C(CC2)=O	1720
+Clc1cc(ccc1)C2c3c(C(CC2)=O)ccc(c3)O	5
+Clc1cc(ccc1)NC(=O)N2Cc3c(CC2)[nH]nc3C(N(O)C)=O	1006
+Clc1cc(ccc1)NC(=O)N2Cc3c(CC2)[nH]nc3C(=O)O	6
+Clc1cc(ccc1)Nc2nccs2	3030
+Clc1cc(ccc1)NCCCN	51
+Clc1ccc2c(Sc3cccc(c3)Br)c([nH]c2c1)C	1502
+Clc1cc(ccc1)Nc2ccn3c(n2)c(cn3)C=C4C(NC(=O)N4C)=O	2021
+Clc1cc(ccc1)Nc2nc(-c3cc(C(NO)=N)ncc3)ncn2	958
+Clc1cc(ccc1)Nc2nc(-c3cc(C#N)ncc3)ncn2	577
+Clc1cc(ccc1)Nc2nc(-c3cc(C(NO)=O)ncc3)ncn2	9024
+Clc1cc(ccc1)Nc2ncc(c3n(ccc23)C)C(=O)O	1
+Clc1cc(ccc1)Nc2ncc(c3c2ccn3CC)C(=O)O	6
+Clc1cc(ccc1)Nc2ncc(c3c2ncn3C)C(=O)O	6
+Clc1cc(ccc1)Nc2nccc(-c3cccnc3NCCCN)n2	70
+Clc1cccc(Nc2ncnc3c2c(N=Cc4cccc(-c5nn(C)nn5)c4)[nH]n3)c1	4661
+Clc1ccc(c(c1)O)C2(C(N(c3ccccc23)CC(=O)OC)=O)O	1115
+Clc1cccc(Oc2cncc(Cl)n2)c1	842
+C1CC(CCN1Cc2ccccc2)NC(COc3cccc(Cl)c3)=O	648
+Clc1c(-n2cc(C(C)=O)c3ccccc23)ccc(C(=O)N)c1	216
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3ccc(C)c(Cl)c3)C1	1757
+c1c(ccc(Sc2cc(ccc2[N+]([O-])=O)C(=O)C)c1F)F	825
+c1(Cl)cc(O)c(nc1)[N+](=O)[O-]	3004
+Clc1cc(ncc1)C(C)Nc2nc3c(o2)c(cc(C(=O)O)c3)OC	1
+Clc1cc2C(=O)N(C(CSc3ncnc4nc[nH]c34)=Nc2cc1)c5c(Cl)cccc5	3031
+Clc1cc2C(CCCN(C(c3cnc(cc3)NC(c4c(cccc4)Cl)=O)=O)c2cc1)CCOC	21
+O=S(=O)(C)OCCC1CCCN(c2ccc(Cl)cc12)C(c3cnc(cc3)NC(c4ccccc4Cl)=O)=O	7
+Clc1cc2C(CCCN(C(c3cnc(cc3)NC(c4c(cccc4)Cl)=O)=O)c2cc1)CCO	88
+Clc1cc(C)c2OCCCC(N)c2c1	474
+Clc1cc2c(cc1)C(CO)CC2	2938
+Clc1cc2CCC(=C)c2cc1	2748
+Clc1cc2CCC3(CNCC3)c2cc1	9025
+Clc1cc2CCC3=C(CCCN3)c2cc1	9026
+c1cc(ccc1C(N2CCCC=3c4ccc(Cl)cc4CCC2=3)=O)OC	9027
+Clc1cc2c(SC(=O)N2CC(N(C)Cc3nc4c([nH]3)cccc4)=O)cc1	10
+Clc1cc2N(CCOc2c(c1)C(=O)O)C	1
+C1(=O)C(=O)Nc2c(c(c(Cl)cc2N1)N=[N+]=[N-])[N+]([O-])=O	31
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(N)=O	1360
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(=O)O	3
+Clc1cc2Sc3c(cc(C#N)cc3)N(c2cc1)C(C)CO	44
+O=S(=O)(C)OCC(C)N1c2c(Sc3cc(Cl)ccc13)ccc(c2)C#N	7
+Clc1cc2c(-c3cc[n+](cc3C(=O)N2C)[O-])cc1	103
+c1cc(ccc1-c2c(cccc2)C(=O)NCCc3c[nH]c4c3cc(cc4)Cl)OC	134
+Clc1cc2c(Cl)cc(nc2cc1)N3Cc4ccc(Br)cc4CCC3	286
+Clc1cc2c(NCCN)cc(nc2cc1)N3Cc4ccc(Br)cc4CCC3	105
+C(=O)(c1n(-c2c(Cl)cccn2)nc(Cl)c1)Nc3c(cc(cc3C(=O)NC)Cl)C	1302
+Clc1cc2c(cc1)scc2CBr	9028
+Clc1cc2c3c(cnc2cc1)ncn3C	9029
+Clc1cc2c(c([N+]([O-])=O)cnc2cc1)NC	105
+Clc1cc2c(c(N)cnc2cc1)NC	13
+Clc1cc2c(cc1)c(NCCCN)c3c(CCCC3)n2	105
+c1cc(ccc1Nc2c(C(OCC)=O)cnc3ccc(Cl)cc23)Cc4ccccc4	179
+c1cc(ccc1Cl)CSCC(c2c(C)c3c(s2)ccc(c3)Cl)=O	9030
+c1c2c(cc(c1)Cl)c(c[nH]2)CCNC(=O)c3noc(Cc4cccc(Cl)c4)n3	1506
+Clc1cc2c(CCNC(=O)c3noc(n3)Cc4ccccc4C)c[nH]c2cc1	1506
+Clc1cc2c(CCNC(=O)c3c(cccc3)I)c[nH]c2cc1	93
+FC(F)(F)c1cc(N2CCc3c(ccc(c3)Cl)C2)cc(Cl)c1NC(=O)CC(C)(C)C	79
+c1cc(ccc1N2CCN(CC2)C(C(N3c4c(CCC3)cc(cc4)Cl)C)=O)S(=O)(=O)Nc5ncncc5	10
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CC(O)=O)C3=O	4
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCO)C3=O	21
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCSC)C3=O	1105
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCCl)C3=O	9031
+Clc1cc2c(cc1)c(NCCCNC3CCc4c(ccc(n4)O)C3)c5c(CCCC5)n2	87
+Clc1cc2c(cc1)cc(nc2O)C(=O)N	314
+c1cc(ccc1)CN2CCN(CC2)c3c4cc(Cl)ccc4ccn3	43
+Clc1cc2c(cc1)nc(O)c(C(C=Cc3c(cncc3C)F)=O)c2-c4cnccc4	307
+Clc1cc2c(nc(cc2Br)NCc3c(cccc3)OC)cc1	811
+C(c1sc2c(cc(Cl)cc2)c1CC)(=O)C	2940
+Clc1cc2c(ccnc2cc1)C=NNC=3N=C(N)N(C(=O)C=3)C	3748
+Clc1cc2c(n[nH]c2cc1)CO	9032
+Clc1cc2c([nH]nc2C=O)cc1	178
+Clc1ccc2c(c(-c3cccnc3)cc(n2)NCc4c(cccc4)OC)c1	9033
+Clc1cc2c(nc(nc2NN)Cl)cc1	1021
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)NC(COc4noc5ccc(cc45)Cl)CO	9034
+Clc1cc2c3C(=NNC(=N)N)CCCc3[nH]c2cc1	9035
+c1c2c(ccc1Cl)n3c4c(nc3c5c2nc(cc5)C)cccc4	9036
+c1cc(ccc1-c2ccn3c(ncc3)c2)F	3032
+Ic1[nH]nc2c1c(C)nc(Cl)c2	4667
+c1cc(ccc1)-c2nccc(-c3n4ccc(Cl)cc4nc3)c2	140
+c1cc(ccc1)-c2nc(NC)cc(-c3cnc4n3ccc(Cl)c4)c2	140
+Clc1cc2sc(NN)nc2cc1	9037
+c1cc(ccc1)C2=CC(N(c3sc4c(n3)ccc(Cl)c4)N2)=O	1916
+Clc1ccc(c(F)c1)-c2ccccc2C(C)N	474
+Clc1ccc(c(C=O)c1)-c2nc(C)no2	39
+Clc1ccc(c(CC#N)c1)-n2ncnc2	163
+Clc1ccc(Br)c(c1C(=O)N)F	2681
+Clc1ccc(c(Cl)c1)CCCCO	213
+c1cc(ccc1)C(N)c2ccc(Cl)cc2C	9038
+Clc1ccc(C(=O)N(C)OC)c(Nc2ccccc2Cl)c1	280
+C1(=O)c2c(Oc3c(C)cccc13)cc(Cl)cc2	358
+c1(OC)ccc(-c2cc(c(cc2)C(OC)=O)[N+]([O-])=O)cc1F	667
+FC(F)(F)c1nc(O)c(-c2ccc(Cl)cc2Cl)nc1	2989
+Clc1ccc(c(Cl)c1)C(=O)N2Cc3ncc(Cl)n3CC2	115
+Clc1ccc(c(Cl)c1)-c2nc3c(cccc3C(=O)OC)o2	2453
+C1CN(CCC1)C2(CC(C2)COCc3ccccc3)CNC(=O)c4c(Cl)cc(cc4)Cl	93
+c1cc(ccc1F)C(c2ccc(cc2Cl)Cl)=O	222
+FC(F)(F)S(=O)(=O)Oc1ccc(c(c1)NC(C)c2c(Cl)cc(cc2)Cl)Cl	166
+Clc1ccc(C)c(-c2c(C(=O)O)cc(-c3ccnc(n3)N)[nH]2)c1	6
+Clc1ccc(C)c(-c2c(C(=O)N)cc(-c3c(cnc(N)n3)I)[nH]2)c1	393
+Clc1ccc(C)c(-c2c(C(=O)O)cc(-c3c(cnc(N)n3)I)[nH]2)c1	2244
+c1(Cl)cc(c(cc1[N+]([O-])=O)C)Cl	31
+c1cc(ccc1-c2oc(nn2)CSc3nnc(n3-c4c(cccc4)Cl)-c5ccc(cc5Cl)Cl)C	9039
+Clc1ccc(C=C(CCCCC)CO)c(Cl)c1	2874
+c1cc(ccc1OCc2nc(C=Cc3ccc(Cl)c(c3)F)oc2)CCCCn4ccnc4CS(=O)(=O)C	547
+Clc1ccc(nc1Cl)CC#N	1461
+Clc1ccc(c(C=O)c1)CC(OC)=O	674
+Clc1ccc(CC)c(-c2c(C(=O)O)cc(-c3c(cnc(N)n3)Br)[nH]2)c1	6
+Clc1ccc(CC)c(-c2c(C(=O)N)cc(-c3c(cnc(N)n3)Br)[nH]2)c1	393
+Clc1cc(N)c(cc1)CC	0
+Clc1ccc(c(Cl)c1)CCOc2cc(ccc2OC)C(=O)OC	126
+Clc1ccc(c(Cl)c1)CCOc2c(Cl)c(OC)cc(C(=O)OC)c2	126
+c1c(Oc2c(Cl)ccc(CN)c2F)c(c(cc1C#N)F)Cl	9040
+Clc1ccc(CNC(=O)c2c(nn(c2)CCOCC)OCC)c(Cl)c1	21
+Clc1ccc(c(Cl)c1)CNC(c2c(nn(CCO)c2)OCC)=O	665
+c1(cc(c(cc1)Cl)-c2n(-c3ccc([N+](=O)[O-])c(-n4c(nc(C)c4)-c5c(ccc(Cl)c5)Cl)n3)cc(C)n2)Cl	3033
+Clc1ccc(Cl)c(CC#N)c1	163
+c1ccccc1Oc2ccc(cc2[N+](=O)[O-])Cl	415
+C1CC(CCN1C(=O)Cc2cc(ccc2Cl)Cl)c3nc(cs3)C(N(C)C(c4ccccc4)CC)=O	10
+CCN(Cc1sc(Cl)nc1)c2c(Cl)ccc(Cl)n2	43
+Clc1ccc(Oc2cc(ccc2OC)CC(=O)OCC)c(C=O)c1	46
+[N-]=[N+]=NCc1c(I)ccc(Cl)c1	925
+Clc1cc(c(N)cc1)C(c2c(O)c(ccc2)OC)=O	5
+O=S(=O)(Nc1c(C(c2ccccc2Cl)=O)cc(cc1)Cl)c3ccc(c(c3)OC)OC	69
+O(c1c(C(c2c(ccc(Cl)c2)NCc3c(cc(cc3)OC)OC)O)cccc1OC)CC	208
+Clc1ccc(c(C2=CC(=O)N3C(CCC3=C2)C(=O)O)c1)-n4nnnc4	1441
+Clc1ccc(N)c(C2=CC(=O)N3C(CCC3=C2)C(=O)O)c1	3
+Clc1ccc(N)c(C=CC(OCC)=O)c1	4668
+FC(F)(F)c1c(C(OC)=O)cnc(Nc2ccc(cc2Cl)Cl)c1	201
+FC(F)(F)c1c(C(=O)OC)cnc(Nc2c(Cl)cc(cc2)Cl)n1	55
+Clc1ccc(NCC(CCl)O)c(Cl)c1	843
+c1(ccc2c([nH]c(-c3cccc4C(c5c(cccc5)-c34)=O)n2)c1)Cl	1127
+c1ccccc1COCC(=O)N2CCCN(c3c(Cl)cc(Cl)cc3)CC2	58
+Clc1cc(c(cc1)NC(Nc2c(NCCCO)c(ccc2Cl)C(OC)=O)=S)Cl	773
+Clc1ccc(NCC(Cn2ccnc2)O)c(Cl)c1	871
+c1c(cc(c(NCC(OCc2cccc(Cl)c2)Cn3ccnc3)c1)Cl)Cl	149
+Nc1cc2c(cc1OCC)ncnc2Nc3c(F)c(c(Cl)cc3)Cl	0
+Clc1cc(c(O)c([N+]([O-])=O)c1)CCc2ncccc2	77
+Clc1ccc(cc1-c2cc(F)ccc2)O	134
+c1(cccc(F)c1NC(=O)c2oc(Cc3cc(ccc3OC(=O)C)Cl)cc2)F	768
+Clc1ccc(c(-c2c(c3c(nc(nc3cc2)N)N)Cl)c1)O	5
+Clc1ccc(c(-c2oc(nc2)CCCCC(OC)=O)c1)O	5
+O=S(=O)(c1ccc(O)c(Cc2cc(Cl)ccc2OCC(=O)OC)c1)C	4669
+Clc1ccc(OCOCCOC)c(c1)CCl	438
+Clc1cc(CO)c(cc1)Oc2cc(ccc2OC)CC(=O)OCC	41
+Clc1ccc([N+]([O-])=O)c(c1)Oc2c(cccc2)C(=O)O	500
+c12c(cccc1)Oc3c([N+]([O-])=O)ccc(Cl)c3C2=O	358
+Clc1ccc(Cl)c(-c2nc(cn2-c3c(ccc(Cl)n3)[N+]([O-])=O)C)c1	3033
+Clc1ccc2oc3ncc(cc3c2c1)Cl	9041
+Clc1ccc(N)c(c1)C2Cc3c(N2)cccc3	9042
+Clc1ccc(c(-c2oc(nc2)CCCCC(=O)O)c1)O	4
+Clc1ccc(c(-c2oncc2CCCO)c1)Cl	95
+Clc1ccc(c(-c2oncc2CCC(=O)O)c1)Cl	3
+Clc1cc(c(cc1)N)C(Nc2nn(cc2)-c3ccc(c(C)c3)C)=O	0
+c1cc(ccc1NC(CN2C3=C(C(=O)CC3)C(c4cc(ccc4Br)Cl)=CC2=O)=O)C=5NOC(=O)N=5	9043
+c1ccccc1C(COC(=O)C2N3C(CC2)=CC(=CC3=O)c4c(-n5nnnc5)ccc(Cl)c4)=O	1231
+Clc1ccc(O)c(CCc2ncccc2)c1	4195
+c1ccccc1S(=O)(=O)N2C(CN(Cc3c(CC(=O)OC)ccc(c3)Cl)CC2)C	48
+C1C(CO1)(COc2c(C=O)cc(cc2)Cl)C	450
+c1ccccc1CCOc2c(cc(cc2)Cl)C=O	8
+c1(c(C=O)cc(Cl)cc1)Oc2ccnc3cc(c(cc23)OC)OC	242
+Clc1ccc(c(c1)C(C#N)N)OC	9044
+Clc1ccc(OCC(OC)=O)c(CO)c1	41
+c1(Cl)ccc(OCC(OC)=O)c(c1)C=C2C(=O)Nc3cc(ccc23)Cl	1495
+Clc1ccc(OCOCCOC)c(CO)c1	41
+c1ccccc1C=2OC(C(N=2)=Cc3cc(Cl)ccc3Sc4cccs4)=O	9045
+Clc1ccc(c(c1)CC(=O)O)-n2ncnc2	508
+c1cc(ccc1F)CN2CC(N(CC2C)C(COc3ccc(Cl)cc3CC(OCC)=O)=O)C	648
+Clc1ccc(c(C=O)c1)Sc2cccs2	39
+Clc1ccc2-c3c(OCc2c1)c4CCCC(c4cc3)=O	3034
+Clc1ccc(c(Cc2ccc(C(=O)O)o2)c1)O	6
+Clc1ccc(c(Cc2ccc(o2)C(=O)OCC)c1)O	5
+c1(Cl)c([N+]([O-])=O)cc(c(c1)Cl)-c2nc3CCCCn3c2Cl	31
+Clc1ccc(-c2c(N)c(NC(CCC)C)ncc2)c(Cl)c1	13
+c1cc(NCCNc2cc(-c3ccc(Cl)cc3Cl)c(cc2)[N+]([O-])=O)nc(N)c1[N+](=O)[O-]	60
+Clc1ccc(c(Cl)c1)-c2nc(n3c(ncc3)c2)OCCNc4ccc([N+]([O-])=O)c(n4)N	9046
+Clc1ccc(c(Cl)c1)-c2c(Cl)n3CCCCc3n2	844
+Clc1ccc(c(Cl)c1)-c2cn3CCCCc3n2	3035
+Clc1ccc(c(Cl)c1)-c2cnc(N)c(c2C#N)Cl	395
+Clc1ccc(c(Cl)c1)-c2nc3c(cccc3C(=O)N)o2	393
+Clc1ccc(c(Cl)c1)-c2nc3c(cccc3C(=O)O)o2	1
+C1N(Cc2n(c(Cl)c(n2)Cl)C1)C(=O)c3ccc(Cl)cc3Cl	844
+Clc1ccc(C(=O)O)c(c1)Oc2c(cccc2)C	415
+Clc1ccc(c(Cl)c1)-c2cn3ccccc3n2	9047
+Clc1ccc(c(Cl)c1)C2C(C(=O)OCC)=C(N=C(c3ncccc3F)N2)CN4CCOC(C(=O)O)C4	2644
+Clc1ccc(c(Cl)c1)C=2NC(=O)c3cc(nn3C=2)C=O	178
+Clc1ccc(c(Cl)c1)C=2NC(=O)c3cc(CO)nn3C=2	194
+Clc1ccc(c(Cl)c1)CCCC(=O)O	4670
+Clc1ccc(c(Cl)c1)CCNc2cc(Cl)nc(n2)OC	40
+Clc1ccc(c(Cl)c1)CCNC(c2ccc([N+]([O-])=O)cc2N)=O	1338
+C(c1ccc(c(C#N)c1)-n2c3c(cc(C(NCCc4ccc(Cl)cc4Cl)=O)cc3)cc2)C(=O)O	4
+O=S(=O)(NC(C1CCCN(c2nc(nc(NCCc3c(cc(Cl)cc3)Cl)c2)OC)C1)=O)C	344
+Clc1ccc(c(Cl)c1)CCNc2nc(nc(-c3cc4CC(N(C)c4cc3)C(=O)O)c2)OC	3
+Clc1ccc(c(Cl)c1)CCOc2cc(cc(OC)c2Cl)C(=O)O	1
+Clc1ccc(c(Cl)c1)CCOc2cc(C(=O)O)ccc2OC	1
+Clc1ccc(c(Cl)c1)COc2ccc3c(CC(OC)=O)coc3c2Cl	139
+Clc1ccc(c(Cl)c1)CNC(c2cnc(nc2O)N)=O	484
+c1cc(ccc1-c2nc3n(ncc3)c(NCc4c(cc(cc4)Cl)Cl)c2)C(OC)=O	1005
+O=S(=O)(CCCCC)NC(=O)c1ccc(c(N(Cc2c(cc(Cl)cc2)Cl)C)c1)[N+](=O)[O-]	258
+c1(cc(c(CNC(c2cn(nc2OCC)CCOc3c(CC(OC)=O)cccc3OCC)=O)cc1)Cl)Cl	20
+c1nc(ncc1Br)N2CCC(NCc3c(Cl)cc(cc3)Cl)C2	117
+Clc1ccc(c(Cl)c1)COc2ccc3c(coc3c2Cl)CC(=O)O	4
+c1(Oc2ccc(Cl)cc2Cl)c(ccc(c1)Cl)[N+](=O)[O-]	415
+c1c(Cl)c(Oc2ccccc2C#N)ccc1Cl	46
+Clc1ccc(c(Cl)c1)OC(c2sc(N)nn2)C	1087
+COC(OC)CN(C)C(=O)Nc1sc(C(C)Oc2ccc(Cl)cc2Cl)nn1	1110
+c1(ccc(Cl)cc1O)[N+]([O-])=O	1683
+Clc1ccc([N+]([O-])=O)c(Oc2c(cccc2)C=O)c1	415
+c1ccccc1CN2CCC(CC2)Nc3cc(ccc3[N+]([O-])=O)Cl	205
+Clc1ccc(c(F)c1)-c2c(F)cncc2C(=O)NC	56
+Clc1ccc(c(F)c1)-c2c(F)cncc2C(=O)O	1
+O=S(=O)(c1ccc(OC)cc1OC)NC(C)c2c(-c3c(F)cc(Cl)cc3)cccc2	71
+O=S(=O)(NC(c1c(-c2c(F)cc(Cl)cc2)cccc1)C)c3ccc(cc3)OC	71
+c1([N+](=O)[O-])cc(F)c(cc1Cl)F	31
+Clc1ccc(c(OC)c1)Oc2ccc(cc2-c3cccnc3OC)C#N	305
+Clc1ccc(c(OC)c1)Oc2ccc(C(=O)N)cc2-c3cccnc3OC	216
+c1cc(ccc1C(=O)C)Oc2c([N+](=O)[O-])cc(cc2)Cl	304
+Clc1ccc(c([N+]([O-])=O)c1)CCOC(=O)OCC2OC(N3C=C(C(NC3=O)=O)C)CC2O	405
+Clc1cc(N)c(NC2CC(C)N(CC2)C(=O)OC)cc1	0
+Clc1ccc(c(c1)-c2c(OCC)cnc(O)c2)C#N	104
+O1CCOC1(C)COc2cc3C4(N=C(N)OC4)c5c(ccc(c5)-c6c(ccc(Cl)c6)F)Oc3nc2	381
+Clc1cc(c(cc1)C2c3c(cccc3)N(C2=O)CC(=O)OC)O	462
+FC(F)(F)c1cc2c(c(O)nc(-c3c(SCC)cc(Cl)cc3)n2)cc1	748
+c1cc(Cl)c(c(c1OC)Cl)[N+]([O-])=O	297
+c1(cc(c(Cl)cc1I)-c2cc(F)ccc2)O	235
+c1(-c2nc3c([nH]2)ncc([N+]([O-])=O)c3)c(Cl)ccc(NC(=O)c4occc4)c1	2245
+O=S(=O)(C)Oc1cc(C)c(Cl)cc1	444
+c1ccccc1[Si](c2ccccc2)(Oc3cc(C)c(cc3)Cl)C(C)(C)C	1505
+Nc1cccnc1Nc2cc(c(Cl)cc2)F	13
+c1c(c(cc(Cl)c1F)C(=O)C)O	94
+c1cc(ccc1Br)CC(=O)c2cc(Cl)c(O)cc2O	214
+c1cc(ccc1)-c2nc(nc(-c3ccccc3)n2)-c4cc(Cl)c(cc4O)O	9048
+Clc1ccc-2c(c1)COc3cc(O)ccc-23	5
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)-c3ccc(Cl)cc3CO2	166
+c1cc(ccc1)CC2(C)C(Nc3cc(ccc23)Cl)=O	9049
+Clc1ccc2c(c1)NC(=O)C2=Cc3cc(Cl)c(F)cc3OC	1495
+Clc1ccc2c(C(NC(C3COCCN3c4c(cnc(Cl)n4)Br)=O)CC2)c1	9
+Clc1cc2N(c3ncnc(Cl)n3)CCCc2cc1	3036
+[N-]=[N+]=NC(C)Cn1c-2c(cc1)Cc3ccc(Cl)cc-23	2135
+Clc1ccc2c(C3(COc4cc5c(cc34)CCO5)C(N2CC(OCC)=O)=O)c1	20
+FC(F)(F)C(NC1C2c3c(Oc4c(cc(cc4)Cl)N2CCC1)cccc3)=O	605
+Clc1cc2c(nc(Cl)c3c2n(cn3)-c4c(Cl)cccc4)cc1	445
+Clc1ccc2Cc3ccn(CC(O)C)c3-c2c1	9050
+Clc1ccc2c(C(c3c(cc4c(CCO4)c3)O)C(=O)N2CC(OCC)=O)c1	462
+CC=CCC1C(c2c(ccc(Cl)c2)C1)=O	4432
+Clc1ccc2CCC(N3c4c(N5CCOCC5C3=O)nc(Cl)nc4)c2c1	9051
+Clc1ccc2c(C3(COc4cc5c(cc34)CCO5)C(N2CC(=O)O)=O)c1	3
+Clc1ccc2c(C=Cc3sc(nc3C2C=4C(NC(NC=4)=O)=S)C)c1	3873
+c1(c(Cl)ccc2c1nccc2Cl)[N+](=O)[O-]	3037
+C1CN(CCN1c2cc(ccc2)OC)Cc3ccc(cc3)Nc4ccnc5c4ccc(Cl)c5	179
+Clc1ccc2c(cnnc2-c3ccc(cc3C)F)c1	519
+Clc1ccc2c(NC(N2C3CCNCC3C)=O)c1	1574
+c1cc(ccc1F)C(c2ccc(cc2)F)CCCN3CC(C)C(CC3)N4C(=O)Nc5cc(Cl)ccc45	53
+FC(F)(F)c1ncc(-n2c3cc(Cl)ccc3c(Sc4cccc(C(=O)OC)c4)c2C)cc1	3217
+c1cc(ccc1F)Cn2c3cc(ccc3c(Sc4cc(C(=O)OC)ccc4)c2C)Cl	190
+c1ccccc1-n2cc(-n3c(c(c4ccc(cc34)Cl)Sc5cc(ccc5)C(OCC)=O)C)cn2	1865
+c1cc(ccc1Cn2cc(c3ccc(Cl)cc23)C=O)F	190
+c12nc(cc(-c3cccnc3)c1cc(NCc4cccnc4)cc2)NCc5ccccc5OC	205
+Clc1ccc2c(C(C(N2CC(OCC)=O)=O)(O)c3cc4c(cc3O)OCC4)c1	1115
+C1(c2c(C(=O)N1CC(N3c4cc(ccc4Oc5ccccc5C3)Cl)=O)cccc2)=O	192
+C1CC1c2c(c3c(cc(Cl)cc3)n2-c4cnn(CCC)c4)Sc5cccc(C(OCC)=O)c5	9052
+Clc1ccc2c(cc(C(NCC(OC)=O)=O)[nH]2)c1	1008
+Clc1ccc2c(cc(C(=O)OCC)n2CCCSC)c1	965
+Clc1ccc2n(c(CO)cc2c1)CCCSC	194
+Clc1ccc2c(cc(C(NCC(N3C(C(OC)=O)SCC3)=O)=O)[nH]2)c1	478
+Clc1ccc2c(cc(C(NCC(N3CCSC3C(=O)O)=O)=O)[nH]2)c1	4
+Clc1ccc2c(cc(C(NCC(=O)O)=O)[nH]2)c1	4
+FC(F)(F)C(c1c[nH]c2ccc(Cl)cc12)=O	531
+Clc1c([N+]([O-])=O)c2c(cc1)nc(C)cc2	1804
+c1cc(ccc1Oc2ncc3c(ccc(c3)Cl)c2)OC	136
+n1cc2cc(Sc3cccc(F)c3)ccc2c(n1)-c4c(cc(cc4)F)C	825
+Clc1ccc2c(n(C(=O)CC(C)CC(=O)O)c(CCCCCC)c2)c1	4
+Clc1ccc2c(nc(C=Cc3cc(ccc3)CN4c5c(CC4)cccc5CCC#N)cc2)c1	2786
+Clc1ccc2c(nc(C=Cc3cccc(c3)OC(C)C#N)cc2)c1	143
+Clc1ccc2c(nc(C=Cc3cccc(OC(C(N)=O)C)c3)cc2)c1	83
+c1cc(ccc1CNc2c3C(CCCc3nc4cc(ccc24)Cl)=O)F	608
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(OCC)=O)n2)c1	9053
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(=O)O)n2)c1	3
+c1(c2ccc(cc2cnn1)-c3c(C)ccc(C(=O)O)c3)O	667
+c1ccccc1-n2c3c(c4ccc(Cl)cc24)cccc3	2246
+Clc1ccc2c(n[nH]c2I)c1	538
+Clc1ccc2c(c(n(c2c1)C)-c3cc(C=O)cnc3)C#N	4671
+Clc1ccc2cc(CCCCCC)[nH]c2c1	9054
+Clc1ccc2cc(C=CCCCC)[nH]c2c1	9055
+c1cc(ccc1C)C#Cc2ccc3c(cc4CC5(Cc4c3)C(=O)Nc6ncccc56)n2	9056
+FC(F)(F)C(c1c2ccc(Cl)cc2[nH]c1)=O	531
+Clc1ccc2ccc(COc3cc4c(OCc5c(C4SCCC#N)cccc5)cc3)nc2c1	143
+Clc1ccc2ccc(COc3cc4c(OCc5c(C4SCCC(=O)N)cccc5)cc3)nc2c1	1360
+Nc1c(Br)c2c(ccc(Cl)c2F)nc1	13
+n1cccc2c([N+]([O-])=O)c(Cl)ccc12	1804
+Clc1ccc2oc(-c3cc(C(=O)O)ccc3)cc2c1	6
+C(Nc1nc2cc(Cl)ccc2o1)C3NCCCC3C	9057
+c1ccccc1C(=O)Nc2sc3c([nH]nc3-c4cc(ccc4)Cl)n2	9058
+Clc1cccc(c1)-c2nn(-c3ccc(Cl)c(C)c3)cc2	901
+Clc1cccc(-c2c(-c3cc(ccc3)C#N)cc(s2)C(=O)O)c1	6
+c1cc(ccc1C(c2ccc(c(-c3cc(Cl)ccc3)c2F)OC)=O)[N+](=O)[O-]	222
+Clc1cccc(-c2c3c(nc(O)c2)ccc(C(c4cccc(I)c4)=O)c3)c1	104
+Clc1cccc(-c2c3c(NC(C3=Cc4c(cc(C)[nH]4)C)=O)ccc2)c1	292
+Clc1cccc(c1)-c2noc(C)c2CO	1043
+Clc1cccc(-c2noc(C)c2C(=O)O)c1	6
+Clc1cccc(-c2c(-c3cc(ccc3)C#N)cc(C(=O)OCC)s2)c1	1074
+c1ccc(Cl)cc1CCCCCCC(c2ncc(-c3ncccc3)o2)=O	213
+Clc1cccc(C#Cc2nc(C)n(c2)-c3cc(F)cnc3)c1	9059
+Clc1cccc(c1)-c2nn3c(ccnc3)c2	9060
+FC(F)(F)c1cc(S(=O)(=O)N(COC)c2cc(Cl)cnc2C3OC(=O)c4cccc(Cl)c34)ccc1Cl	9061
+Clc1cccc(c1)-c2[nH]c3c(ncnc3Cl)n2	4672
+c1(cccc(NC(CCC)=O)c1)NC(=O)c2cccc(Cl)c2	67
+CC(C)c1onc(c1COc2ccc(cc2)-c3ccc4c(ccc(n4)C(=O)OCC)c3)CS(c5c(cccc5Cl)Cl)=O	357
+Clc1cnc(NC2CC(C(=O)N)CCC2)nc1S(=O)C	1056
+FC(F)(F)C=1N(C(=O)N(c2cc3c(nsc3cc2)CS(=O)(=O)C)C(C=1)=O)C	2852
+FC(F)(F)C=1N(C(=O)N(C(C=1)=O)c2cc3c(CS(C)=O)nsc3cc2)C	441
+FC(F)(F)COc1ccnc(c1C)CS(c2nc3cc(N4CCN(CC4)C)c(F)cc3[nH]2)=O	172
+FC(F)(F)Cc1ccc(cc1)C2CN(C(=O)N3CCS(CC3)=O)CC(c4nc(no4)OCCOC)C2	441
+FC(F)(F)Oc1ccccc1S(=O)(=O)C	720
+FC(F)(F)c1c(noc1-c2nc(-c3ccc(cc3)C4OC4)no2)-c5ccccc5	3038
+FC(F)(F)c1cc(Cl)c(c(Cl)c1)-c2cc(S(=O)(=O)C)n(C)n2	9062
+FC(F)(F)c1cc(Cl)c(c(Cl)c1)-c2cc(S(=O)C)n(n2)C	1056
+FC(F)(F)c1cc(S(=O)CC)cc(S(=O)(=O)N(C2CCCc3c2cnn3CC(OCC)=O)C)c1	357
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2CCc3[n+](cccc3C2c4ccc(cc4)F)[O-])C	103
+FC(F)(F)c1cc2nc(-c3cc(Cl)[n+]([O-])cc3)oc2cc1	103
+FC(F)(F)c1cccc(N2C(=O)NC(C3=C2CCCC3=O)c4ccc(C#N)cc4S(=O)C)c1	357
+FC(F)(F)c1cccc(c1)N2C3=C(C(CC3)=O)C(c4c(S(=O)C)cc(C#N)cc4)N(C2=O)C	357
+FC(F)(F)c1cccc(c1)Nc2nc(-c3cc[n+](cc3)[O-])ccn2	103
+FC(F)=C(CCOC(c1cnc(nc1C)S(=O)(=O)C)=O)C	737
+FC(F)Oc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C	172
+C1COCCN1c2nc(S(C)=O)nc(-n3c4ccccc4nc3C(F)F)c2	172
+Fc1cccc(F)c1N2c3c(C=CC2=O)c(Cl)nc(n3)S(C)=O	172
+[n+]1(cc2c(cc1)OCC23C(N(CCCCC)c4ccccc34)=O)[O-]	103
+c1c(C=2C(NC(=O)C=2c3cn(C)c4ccccc34)=O)c5c(cccc5)n1CCCS(=O)C	441
+c1(c(NC(C)=O)cccc1)OCC2(OC2)C	2727
+O(CC)C(=O)C(C)c1[n+](cccc1)[O-]	103
+O1CCOC1(CCCn2c3c4ccccc4[n+](cc3nc2C)[O-])C	359
+O1Cc2c(ccc(C3CO3)c2OC)C1=O	3038
+C12C(C(=O)N(C1=O)CCCCl)CC3C(C2)O3	9063
+O=S(=O)(C)c1c(cccc1)C=2C(=O)N(c3nc(S(=O)C)ncc3C=2)CC	172
+O=S(=O)(N)Nc1c(c(S(C)=O)ccc1)C#N	357
+O=S(=O)(Nc1c(F)c(cc(Cl)c1)-c2c(oc(C3CC3)n2)-c4nc(ncc4)S(C)=O)C	172
+O=S(=O)(Nc1c(c(-c2c(-c3nc(S(=O)C)ncc3)sc(n2)C4CC4)cc(Cl)c1)F)C	172
+O=S(=O)(c1c(CN2c3nc(S(=O)C)ncc3C=CC2=O)cccc1)CC	172
+O=S(=O)(c1ccc(C=2C(N(c3c(cnc(n3)S(=O)C)C=2)CC)=O)c(c1)C)N(C)C	172
+O=S1(=O)c2c(cc(cc2)Br)C=C(C(OC)=O)CC1	9064
+C(=O)(C)OC(C(=O)NCCCCCCCC)CCS(C)=O	441
+c1c(OC)ccc2[nH]c(S(=O)Cc3nccc(OCCO)c3C)nc12	172
+O=S(c1[nH]c2cc(C)c(C(=O)C)cc2n1)Cc3nccc4OCOc34	172
+c1c(OC)ccc2[nH]c(S(=O)Cc3cccc4CCCN(C)c34)nc12	172
+O=S(Cc1cc(OC)ccn1)c2[nH]c3cc(F)c(-n4ccnc4)cc3n2	172
+O=S(=O)(C)c1cc(ccc1)Nc2c(C(=O)OC)c(C#N)cc(Cl)n2	720
+c1c(ccc(Cl)n1)S(c2c(F)cccc2)=O	1758
+C(CS(=O)c1cccc(n1)C=2Sc3c(cccc3)C(N=2)=O)CCC	1056
+[N+]([O-])(=O)C([N+]([O-])=O)(C)COCC1OC1	553
+O=S1(=O)c2cc(ccc2C=Cc3cc(ccc13)[N+](=O)[O-])C#N	9065
+c1c(-c2cccc(C)n2)[n+](c(cc1)C)[O-]	103
+c1c(OCC)c(cc(C)c1)O	9066
+c1cc(ccc1CCc2cc(C)[n+](c(C)c2)[O-])[N+]([O-])=O	103
+c1(CN2N=C(OCCC3CO3)C=CC2=O)cc(ccc1)C(=O)OC	553
+O(Cc1cccc[n+]1[O-])C2CCOC2	103
+c1(Cl)ccnc(CO)c1	9067
+Clc1c[n+](cc(Cl)c1COC2OCCCC2)[O-]	103
+c1(F)cc(cc(F)c1)COc2c[n+](cc(c2)C#N)[O-]	103
+C1CC(CCN1c2c(nc(n2-c3c(cc(cc3F)F)F)S(=O)(=O)C)Cl)C	737
+c1(F)cccc(F)c1N2c3nc(S(C)=O)nc(c3C=CC2=O)-c4cc(C(=O)Nc5sccn5)ccc4C	172
+c1(F)cccc(F)c1N2c3nc(S(C)=O)nc(c3C=CC2=O)-c4c(ccc(C(O)=O)c4)C	172
+c1(F)cccc(F)c1N2c3nc(S(C)=O)nc(c3C=CC2=O)-c4cc(C(NCc5ccccc5)=O)ccc4C	172
+Oc1nc2c(C)cc3c(c2cc1)OC(CO)C3	2730
+c1(Cl)cc([n+]([O-])c2CCCCc12)C	103
+Clc1cc(cc(Cl)c1-n2nc3c(c2)c[n+](cc3)[O-])F	103
+O=S(=O)(c1cc2c(cc1)cc(cc2)OC)C	720
+c1(cc2ccc[n+]([O-])c2cc1)N3C(c4cc(OC)ccc4C3)=O	924
+c1(ccc2c(oc(S(=O)C)n2)c1)Cn3cnc4c3cc(Cl)c(Br)c4	9068
+[n+]1([O-])cccc(C(=O)OC)c1CCl	103
+c1[n+]([O-])c2CCC(C)c2c(Cl)n1	2758
+[O-][n+]1cc(F)c2nc(-c3c(F)cccc3Cl)sc2c1	9069
+C(CCC(CCCn1c(nc2c[n+]([O-])c3ccccc3c12)CCC)=O)CCC	359
+c1c(c(C)[n+](c2c1CCCCC2)[O-])C(OCC)=O	103
+c12nc3c[n+]([O-])c4c(cccc4)c3n1OCCCC2	359
+c1([n+]([O-])c(C)ccc1)Cl	103
+C(Oc1[n+]([O-])c(C)ccc1)CCC	103
+O=S(=O)(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c5ccccc5n(C)c4	2852
+c1ccc(c[n+]1[O-])C=Cc2cc(ccc2)Nc3c(cccn3)[N+]([O-])=O	103
+c1c(Cl)c(c(cc1[N+]([O-])=O)Cl)-n2cc3c(n2)c(c[n+]([O-])c3)F	103
+Clc1c[n+](cc(Cl)c1NC(c2cc(C#N)ccc2)=O)[O-]	103
+Fc1cc(cc(F)c1C2CO2)S(=O)(=O)N(c3c(cc(C)cc3)C)CC(C)C	3038
+c1c(F)c(ccc1F)C(C(C)c2ccc[n+]([O-])c2)(Cn3ncnc3)O	103
+c1c(F)c(ccc1F)C(Cn2ncnc2)(C(C)c3[n+](cccc3)[O-])O	103
+O=S(=O)(C)Cc1c2c(ccc1)cc[nH]2	1547
+O=S1(=O)CCCOc2cc(ccc12)F	720
+c1c(ccc(N2c3c(c(Cl)nc(n3)S(=O)C)C=CC2=O)c1F)F	172
+c1ccc2c(c1)C(=O)N(C2=O)c3[n+](cc(C)c(c3)C)[O-]	103
+c1c(OC(C)=O)cc2CCC(=O)Nc2c1F	4673
+c1c2c(Br)cccc2n(-c3ccnc(S(=O)C)n3)c1	172
+c1nc(c2cc(S(=O)C)ccc2n1)NCc3ccc4OCOc4c3	357
+c1[n+](c(OCC)cc2ccccc12)[O-]	103
+c1c2ccc[n+]([O-])c2ccc1OCCBr	924
+c1c(c[n+](c(C)c1)[O-])Br	103
+Clc1ccc2c(c3c(ncn3-c4c(Cl)cccc4)c[n+]2[O-])c1	359
+c1cc(c(cc1)CS(c2nc3c(CCCC3)[nH]2)=O)N	172
+c1cc(OCC(=O)O)cc2N(CCc12)c3c4CS(Cc4nc(Cl)n3)=O	441
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(S(=O)C)s3	9070
+S(C)(=O)c1nccc(-n2c3cc(ccc3cc2)-c4cc(ccc4)[N+]([O-])=O)n1	172
+c1cc(cc(c1OC)F)CC2CO2	553
+c1cc(ccc1)-c2cc(N(c3ccnc(n3)S(=O)C)C)cc4c2[nH]cn4	172
+c1cc(ccc1)-c2cc(nnc2Cl)Nc3nc(ncc3)S(C)=O	172
+c1cc(ccc1)-c2nc(sc2C)S(=O)C	2247
+c1cc(ccc1)C(=O)CCCn2c3c4c(cccc4)[n+](cc3nc2)[O-]	359
+c1cc(ccc1)C(=O)c2nc(on2)CS(=O)c3ccccc3	357
+c1cc(ccc1)CCc2cc[n+](c3ccc(cc23)C(=O)c4ccc(cc4)Cl)[O-]	924
+c1cc(ccc1)COCC2COCc3nc4c[n+]([O-])c5c(cccc5)c4n23	359
+c1cc(ccc1)COc2c(ccc(c2)CC)Oc3c(F)cc(OC(=O)C)cc3	4673
+c1ccccc1CS(c2cc(nc3c(cnn23)C=C4NC(=O)NC4=O)Nc5cc(Cl)ccc5)=O	1056
+c1cc(ccc1)CS(=O)(=O)c2nc3c(CN(c4c(cccc4)Cl)C(N3)=O)cn2	737
+c1cc(ccc1)N(CCC2CO2)S(=O)(=O)c3ccccc3[N+](=O)[O-]	553
+c1ccccc1NC(=O)c2c3ccc(cc3[n+](c(C)c2)[O-])-c4ccc(OCC(C)(C)C(=O)O)nc4	924
+c1cc(ccc1)S(c2c3c(cc(cc3)OC)ncc2)=O	2248
+c1cc(ccc1)S(c2ccc(nc2)Br)=O	1758
+c1cc(ccc1)S(=O)c2ccc3nc(NC(=O)OC)c(Br)n3c2	1758
+c1cc(ccc1)S(=O)c2cnc(cc2)Cl	1758
+c1cc(ccc1Br)-c2ccc(cc2)OCc3ccc[n+]([O-])c3OC	103
+c1cc(ccc1-c2c3ccc(-c4cc(ccc4)[N+]([O-])=O)cc3n(-c5ccnc(n5)S(C)=O)c2)OC	172
+c1cc(ccc1C(O)=O)-c2c[n+]([O-])ccc2	103
+c1cc(ccc1-c2nc(S(C)=O)ncc2)Br	172
+c1cc(ccc1-c2nc3c(cc(S(=O)(=O)C)cc3)s2)Cl	720
+c1cc(ccc1S(=O)(=O)CCCOc2c(c(c(cc2)C(C)=O)O)CCC)C(CCCCC(OC)=O)=O	720
+c1c[n+](ccc1-c2ccc(cc2)C(C)C)[O-]	103
+c1cc(ccc1C(OC)=O)-c2cc3c(cc(cc3)OC)[n+](c2)[O-]	924
+c1cc(ccc1C)S(=O)(=O)n2cc(c3cc(cnc23)F)-c4nc(c(F)cn4)S(=O)C	1056
+c1cc(ccc1C2=NN(CC3CC3)C(C(=C2)COS(=O)(=O)C)=O)S(C)=O	357
+c1cc(ccc1Cl)CC2CO2	553
+c1cc(ccc1CCNc2c(c(CC)ncn2)C(OCC)=O)CCS(=O)C	441
+c1cc(ccc1CN2CCc3c(c(c[n+]([O-])c3C(N(C)C)=O)OC)C2=O)OC	103
+O=S(=O)(Cc1ccc(cc1)Cl)CC(c2c(C)c3c(ccc(Cl)c3)s2)=O	9071
+c1cc(ccc1CS(=O)CCn2nncc2)OCC=C	441
+c1cc(ccc1Cl)-c2cnc(S(=O)(=O)C)nc2-c3c(cc(cc3)Cl)Cl	737
+c1cc(ccc1C(O)CC2OC2)Cl	553
+c1cc(ccc1CS(CC(c2sc3ccc(cc3c2C)Cl)=O)=O)Cl	9072
+c1cc(ccc1F)-c2n(c3c(nc(Cl)cc3)n2)-c4ccnc(n4)S(C)=O	172
+c1cc(ccc1F)-c2noc(Cn3c(nc4c[n+](c5cccnc5c34)[O-])CCC)c2	4287
+c1cc(ccc1F)COCC2COCc3nc4c[n+]([O-])c5c(cccc5)c4n23	359
+c1cc(ccc1N)S(C)=O	357
+c1cc(ccc1NC(NC(c2c([N+](=O)[O-])cccc2)=O)=O)S(c3ncc(cn3)Br)=O	9073
+c1cc(ccc1NC(c2c(nccc2)S(=O)Cc3ccncc3)=O)Cl	1056
+c1cc(ccc1C#N)OCCC2CO2	553
+c1cc(ccc1OCCCCCCCC)-c2ccc(c[n+]2[O-])CCCCCCCC	103
+c1cc(ccc1S(=O)(=O)C)Oc2ccc(cc2)[N+]([O-])=O	720
+c1cc(ccc1S(=O)(=O)C)-c2n3nc(S(C)=O)ncc3cc2	172
+CC1(C)Cc2c(c(C)c(C)c(N3CCN(CC3)c4ccc(cc4)S(=O)(=O)C)c2C)O1	2146
+C1CC(CCC1)(N(CC)CC)C(=O)c2ccc(cc2)S(=O)C	357
+c1cc(ccc1S(=O)c2c3NC(Cc3ccc2)=O)Cl	2248
+c1c[n+](ccc1-c2c3c(n[nH]2)-c4c(CC3)cccc4)[O-]	103
+c1cc(ccc1S(=O)C)-c2nc3n(CCC3)c2-c4ccncc4	357
+c1c[n+](ccc1-c2ccnc(Nc3cc(ccc3)OC(F)(F)C(F)F)n2)[O-]	103
+c1c[n+](ccc1C(C)C(c2ccc(F)cc2F)(Cn3ncnc3)O)[O-]	103
+c1cc2nc(sc2cc1Oc3c4c(cccc4)ncc3)S(C)=O	2247
+c1cc(ccc1)-c2c(ccc(c2Cl)Br)S(=O)(=O)C	720
+c1ccccc1-c2c3ncn(C)c3cc(N(C)c4ccnc(n4)S(=O)C)c2	172
+c1cc(ccc1)-c2cc(C(=O)O)c[n+]([O-])c2	103
+c1ccccc1C(CCCCCn2cnc3c[n+](c4c(cccc4)c23)[O-])=O	359
+c1ccccc1C(CCCCCn2c(nc3c2c4c([n+]([O-])c3)cccc4)CCCC)=O	359
+c1ccccc1C(c2cc(S(=O)(=O)C)ncn2)OC	3444
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(F)nc(c4)CCCS(=O)(=O)CC	9074
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(nc(c4)CCCS(CC)=O)F	441
+c1ccccc1C(c2ccccc2)C3OC3	553
+c1ccccc1C(c2ccccc2)N3CC(C3)S(=O)c4ccc(cc4)Cl	357
+O=S1(=O)CCNC(CC12CCCCC2Cc3ccccc3)=O	1547
+c1ccccc1CCCNC(c2c(nc(S(=O)(=O)C)nc2-c3cc(Cl)cc(Cl)c3)C)=O	737
+c1ccccc1COC(=O)NC(C2OC2)CC(C)C	553
+c1ccccc1COc2c(cccc2C3CCCC3)CC4OC4	553
+c1ccccc1COc2c3ncccc3c(cc2Cl)S(=O)(=O)C4CCCC4	720
+c1ccccc1COc2ccc3[n+](cc4c(c3c2)n(C)c(n4)CC)[O-]	359
+c1ccccc1COc2cc3c([n+](cc4nc(COCC)n(CC(C)(C)NS(=O)(=O)C)c34)[O-])cc2	359
+c1ccccc1CS(=O)c2nc(NCc3ccc(c(c3)Cl)OC)c(C(OC)=O)c(n2)N4CCn5c(C4)ncc5	172
+c1cc(ccc1)Oc2c[n+]([O-])c(cc2)C	103
+c1ccccc1S(=O)(=O)Nc2cccc(c2)S(c3cc(C=O)c(cc3)[N+]([O-])=O)=O	2248
+c1cc(ccc1)S(=O)c2c[nH]c3ccccc23	1758
+c1cc(ccc1)S(c2ccc(cc2)Cc3csc(Br)n3)=O	2248
+c1ccccc1[Si](c2ccccc2)(OC3CC(C3)OC(C)=O)C(C)(C)C	4125
+c1cccc(-c2nc(-c3ccc(c(OCC)c3)OCC)sc2)[n+]1[O-]	103
+c1[n+]([O-])cc2ccc(C)c([N+]([O-])=O)c2c1	103
+c1[n+]([O-])cc2cccc(c2c1)Br	103
+c1c[n+](ccc1-c2c(nn(C(C)CC)c2)-c3ccc(s3)Cl)[O-]	103
+C(C)OP(OCC)(CCc1cc[n+](cc1)[O-])=O	103
+O(CC)P(OCC)(=O)Cc1cc[n+](cc1)[O-]	103
+c1n(Cc2ccc3nc(S(=O)C)sc3c2)cnc1Br	2247
+[n+]1(c(C)ccc(c1)C(=O)OC)[O-]	103
+O=S(=O)(C)c1cc2c(ncnc2cc1)NCc3cc4c(OCO4)cc3	2146
+c1nc(ncc1-c2c(cccc2)F)-n3cc(c4ccc(cc34)C(=O)OC)S(C)=O	9075
+n1nc(n(C)c1S(C)=O)-c2ccc3ccccc3c2	172
+n1(c2c[n+](ccc2c(n1)C(=O)N)[O-])CC(=O)N3C4CC4CC3C(NCc5cccc(Cl)c5F)=O	9076
+n1(c2ncccc2nc1)Cc3ccc4nc(S(=O)C)sc4c3	2247
+c1c(OC)c(cc(-c2[n+](cccc2C)[O-])c1)F	103
+c1cc[n+](c(-c2cc(ccc2)OC)c1CC(OC)=O)[O-]	103
+C1=C(C(=C=[N-])[N+](C(C)=C1)=O)C	9077
+Nc1cc(Cl)nc(C)[n+]1[O-]	2758
+n1c(nccc1-c2c(nn3c2cccc3)-c4cc([N+]([O-])=O)ccc4)S(=O)C	172
+c1cc2cc([N+]([O-])=O)ccc2[n+](c1)[O-]	924
+c1c(OCC)cc(c[n+]1[O-])Br	103
+O(c1ccc[n+]([O-])c1)c2cc(ccc2)F	103
+c1c(ccc(-c2[n+](cccc2C(=O)OCC)[O-])c1F)F	103
+n1cccnc1CNC(c2cnc(S(=O)C)nc2NCc3ccc(c(c3)Cl)OC)=O	172
+Clc1cccc(c1)C(O)c2cc(n(c2)C)C(=O)O	9078
+c1cc(ccc1[N+](=O)[O-])-c2occ(-c3cc(Cl)ccc3)n2	9079
+Clc1cccc(C(CC=C)CNC)c1	110
+c1cc(ccc1)S(=O)(=O)N(C)CC(c2cccc(c2)Cl)CC=C	92
+Clc1cccc(C(=O)c2cn(C)c(c2)C(=O)O)c1	787
+c1cc(ccc1Br)C(NC(=O)c2cccc(Cl)c2)C(C3C(CCCC3)C(=O)OC)=O	2895
+c1ncncc1Oc2cc(NC(c3cccc(Cl)c3)=O)cc(c2)Cl	50
+Clc1cccc(C(Nc2cc(c(C)cc2)OCc3c4c(n(C)n3)ncnc4Cl)=O)c1	951
+Clc1cccc(c1)C(O)CO	95
+c1cc(ccc1OCC=2OC=C(C(C=2)=O)O)CC(NCC(O)c3cccc(Cl)c3)C	87
+C1(NC(=O)CS1)=NCc2c(C)cccc2Cl	9080
+O=Cc1cc(C)c(O)c(Cl)c1	502
+Clc1cccc(C=2c3cc(OC)ccc3CCC=2)c1	3039
+Clc1cc(ccc1)C2c3c(ccc(OC)c3)CCC2	3040
+Clc1cccc(c1)C=CC(=O)N2C(CN(CC2)c3nccnc3C#N)C(OC)=O	317
+Clc1cccc(c1)CCc2cc(OC)ccc2C(=O)O	1442
+O=S(=O)(c1c2cccc(OCCCCl)c2n(Cc3cccc(Cl)c3)n1)c4cccc5ccccc45	823
+Clc1cccc(Cn2c(cc3c2nc(SC)nc3Cl)CC)c1	1836
+c1cc(ccc1NC(c2c(c(OCc3cc(Cl)ccc3)ccc2Cl)F)=O)CC(OCC)=O	22
+Clc1cccc(c1)CCc2oc(nc2C(=O)OCC)C	3666
+O=C(OCC)C(=NO)C(CCc1cc(Cl)ccc1)=O	9081
+Clc1cccc(CCNC(C)=O)c1	68
+c1c(cc(Cl)cc1)CCNCc2cc(O)ccc2	42
+FC(F)(F)Oc1ccc(cc1)OCC(NCc2scc(n2)C(=O)NCCc3cc(Cl)ccc3)=O	68
+O=S(=O)(Cl)c1ccc(cc1CCNC(=O)C)Cl	243
+Clc1cccc(CNC(c2ccc(Cl)c(N)c2)=O)c1	14
+O=C(Nc1cc(ccc1C)C(NCc2cccc(Cl)c2)=O)c3cc4cc(OC)c(OC)cc4nc3O	14
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5cc([N+](=O)[O-])c(CNCc6cccc(Cl)c6)cc5c(Br)n4	370
+c1cc(ccc1)COc2cc3cc(C(Nc4cc(C(NCc5cc(ccc5)Cl)=O)ccc4Cl)=O)c(nc3cc2OC)O	246
+Clc1cccc(CNc2cc(n(C)n2)C=O)c1	178
+Clc1cccc(CNc2cc(CO)n(C)n2)c1	398
+Clc1cccc(CNc2nc3n(cc(cc3OC)C(=O)O)n2)c1	6
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)Sc4c5c(ccc4)sc(c5)C(=O)OC	20
+C1CCCC1c2onc(c2CO)-c3c(Cl)cccc3Cl	903
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3cc(c(N)cc3)C	1538
+FC(F)(F)c1nc(OCc2c(nnn2-c3c(cccc3Cl)Cl)C(C)C)ccc1[N+]([O-])=O	2055
+c1c(Cl)c(c(cc1)Cl)Nc2ccccc2CS(=O)(=O)NCCOCCO	230
+Clc1cccc(Cl)c1C(C(O)=O)=O	2249
+Clc1cccc(Cl)c1C(=O)Nc2c(N)cnc(Nc3cc(C)nc(C)n3)c2	13
+c1nc(ncc1)CNC(C(=O)c2c(Cl)cccc2Cl)=O	2754
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=Cc2ccc(cc2)C3(CCOCC3)COC)=O	858
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=Cc2ccc(cc2)Oc3nc(OC)cc(n3)OC)=O	1046
+c1nc(ncc1)N(C)c2ccc(cc2)C=CCC(C(=O)OC)NC(c3c(Cl)cccc3Cl)=O	1046
+Clc1cccc(Cl)c1C(=O)NC(C(=O)O)CC=Cc2ccc(cc2)N(c3ncccn3)C(C)C	4
+c1cc(ccc1CC(NC(=O)c2c(Cl)cccc2Cl)C(=O)O)OCCc3nc(ccc3)NC4CCCC4	4
+c1c(Cl)c(c(cc1)Cl)Cc2[nH]c3c(cccc3)n2	442
+CC(C)c1onc(c1COC)CCc2c(Cl)cccc2Cl	1043
+Clc1cccc(Cl)c1CNc2ccnc(n2)Nc3cnn(c3)CC(=O)NC(CO)C	486
+Clc1cccc(Cl)c1COCCOCCCCCCNCC(O)c2ccc3c(COC(C)(C)O3)c2	2875
+Clc1cccc(Cl)c1COCCOCCCCCCNCC(O)c2ccc(O)c(c2)CO	2937
+c1c(Cl)c(c(cc1)Cl)COc2cc(N)c(N)cc2	0
+Clc1cccc(Cl)c1COc2cc3c(cc2)n(c(C(O)=O)c3)CCCC#N	6
+CC(C)N1C(C2=C(OCc3ccccc3)C(N=C(N2CC1)Cc4c(Cl)cccc4Cl)=O)=O	9082
+c1c(Cl)c(c(cc1)Cl)N=[N+]=[N-]	615
+c1(Cl)cccc(Cl)c1NC(N(C)c2ncnc(Nc3ccc(cc3F)F)c2)=O	1587
+C1COCCN1c2ccc(cc2)Nc3ncnc(c3)N(C)C(Nc4c(Cl)cccc4Cl)=O	1587
+c1c(Cl)c(c(cc1)Cl)NC(=O)Nc2cc3c(cccc3)cc2C(=O)N(Cc4ccccc4)CCC(=O)OCC	124
+c1cc(ccc1)CN2CCC(CC2(C)C)Oc3cccc(n3)Cl	91
+c1sccc1COc2cccc(Cl)n2	91
+Clc1cccc(Cn2c(c(CC(N)=O)c3cc(ccc23)O)CC)c1	5
+Clc1cccc(Cn2c(c(CC(N)=O)c3cc(OC)ccc23)CC)c1	4674
+Clc1cccc(Cn2c(c(CC(NN)=O)c3cc(OC)ccc23)CC)c1	743
+c1cc(ccc1C(Nc2c3ccc(Br)cc3n(c2C(=O)OCC)Cc4cccc(Cl)c4)=O)Cl	660
+Clc1cccc(Cn2c(c(N)c3ccc(cc23)Br)C(=O)OCC)c1	13
+c1c2c(c(n[nH]2)N)c(Cl)cc1	575
+Clc1cc(ccc1)Nc2nc(ncn2)Cl	360
+FC(F)(F)c1nc(ncc1C(OCc2ccccc2)=O)Nc3cccc(Cl)c3	55
+Clc1cc(ccc1)NCCC#N	3041
+Clc1cc(ccc1)Nc2ncc(C(=O)OC)c3n(ccc23)C	1504
+Clc1cc(ccc1)Nc2ccn3c(c(cn3)C=O)n2	3042
+c1cc(ccc1)CSc2n3nccc3nc(Nc4cccc(Cl)c4)c2	3042
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)-c3nnc(Nc4cccc(Cl)c4)cc3	1443
+Clc1cc(ccc1)NC(N)=S	1099
+c1cc(ccc1-c2oc(nn2)Nc3cc(ccc3)Cl)O	9083
+Clc1cccc(OCC(F)CCC2C(CC3C2CC(O3)=O)OC4OCCCC4)c1	1646
+Clc1cccc(Oc2cc(ccc2OC)CO)c1	41
+c1c(OC)c(c(cc1Nc2cncc(Oc3cc(ccc3)Cl)n2)OC)OC	1410
+C1CN(CCC1NC(CSc2cccc(Cl)c2)=O)Cc3ccccc3	4232
+Clc1cccc(c1)C(c2cc(Cl)sc2Br)O	9084
+C1CN(CCO1)CCCOc2ccc3c(n(-c4sc(c(n4)-c5cc(ccc5)Cl)C(N)=O)cn3)c2	267
+Clc1cccc(-c2c(OC)ccc(Cn3cc(nc3)-c4cnccc4)c2F)c1	371
+Clc1cccc(-c2c3c(ccc(C(c4cccc(I)c4)=O)c3)nc(OC)c2)c1	1217
+Clc1cccc(c1)-c2onc3ccc(C(c4n(cnc4)C)(c5cnc(Cl)cc5)O)cc23	9085
+c1(C)cccc(C)c1-n2cc(-c3cc(Cl)ccc3)nc2	1444
+Cc1c(c2n(c(-c3cc(Cl)ccc3)cc(n2)Cl)n1)I	1390
+Clc1cccc(c1)-c2oc3C=CN(c4ccc(c(C)c4)[N+]([O-])=O)C(c3c2)=O	9086
+c1ccccc1COCCC=Cc2ccc3ncn(-c4nc(c(C(=O)OCC)s4)-c5cccc(Cl)c5)c3c2	9087
+O=S(=O)(C)OCCCCc1ccc2ncn(-c3sc(C(=O)OCC)c(n3)-c4cccc(Cl)c4)c2c1	7
+c1cc(ccc1Nc2nc(nc(c2)CC)-c3cc(Cl)ccc3)CC(=O)N	73
+O(C)C(OC)c1cc(Nc2sc(c(-c3cccc(c3)Cl)n2)C(N)=O)c([N+](=O)[O-])cc1	9088
+Clc1cccc(c1)-c2nn3c(C)nnc3c(C)c2	2102
+Clc1cccc(c1)-c2nnn(n2)C(C)CC(NC)=O	9
+c1cc(ccn1)-c2n(c(CC(n3nc(-c4cccc(c4)Cl)nn3)C)nn2)C	9089
+Clc1cccc(c1)-c2oc3C=CN(c4cc5c[nH]nc5cc4)C(c3c2)=O	1559
+Clc1cccc(c1)-c2oc3C=CN(c4ccc(c(C)c4)N)C(c3c2)=O	0
+Clc1cccc(c1)-c2onc(C(C)O)c2	1394
+c1cc(ccc1)COc2cc(-c3n(C)c(nn3)OC(C)c4cc(-c5cccc(Cl)c5)on4)ccn2	9090
+c1cc(ccc1-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C)C(OC)=O	2511
+c1cnccc1-c2nnc(N3CCCCC3c4noc(-c5cccc(Cl)c5)c4)n2C	2511
+Clc1cccc(c1)-c2onc(c2)C=O	178
+Clc1cccc(c1)-c2onc(CO)c2	194
+Clc1cccc(c1)C(=O)c2cc(C(c3n(cnc3)C)(c4cnc(Cl)cc4)O)ccc2N	9091
+Clc1cccc(C2(CCCc3ccc(OC)cc23)O)c1	2157
+c1cc(ccc1C2=C(C(N(N=C2)c3cccc(Cl)c3)=O)Oc4ccc(cc4)F)S(=O)(=O)C	9092
+Clc1cc(ccc1)NC2c3cc(-c4cnn(c4)CCOC)ccc3N(C(C)C2)C(=O)C	250
+FC(F)(F)c1ccc(F)c(-c2c(c(on2)-c3cc(Cl)ccc3)C(=O)c4cccnc4)c1	9093
+c1cc(ccc1C=CC(=O)c2cccc(Cl)c2)Cl	307
+n1cc(cnc1)N(c2cc(NC(c3cc(Cl)ccc3)=O)cc(Cl)c2)C	9094
+Clc1cccc(c1)-c2nnc(c3cccnc23)O	9095
+Clc1cccc(-c2cc(N)n[nH]2)c1	1941
+Clc1cccc(c1)C(Nc2nc3c(o2)c(cc(c3)C(=O)N4C(COC(C)(CC(O)C)C4)C)OC)CF	30
+Clc1cccc(c1)C(Nc2nc3c(o2)c(cc(C(=O)O)c3)OC)CF	1
+Clc1cc(C2CO2)ccc1	9096
+c1cc(ccc1C)S(=O)(=O)OCC(O)c2cccc(Cl)c2	36
+c1ccc2c(C(=O)N(C2=O)C(Cc3ncccc3)c4cccc(Cl)c4)c1	2131
+Clc1cccc(c1)Cc2c(Br)sc(c2)Cl	9097
+Clc1cccc(c1)C2=C(C(N(c3nc(C)ccc23)CC)=O)CCCO	21
+Clc1cccc(c1)C2=C(C(N(c3nc(C)ccc23)CC)=O)CCC(=O)O	3
+O=S(=O)(C)OCCCC1=C(c2ccc(C)nc2N(CC)C1=O)c3cccc(c3)Cl	7
+Clc1cccc(c1)C=CC(=O)N2C(CN(CC2)c3nccnc3C#N)CO	21
+Clc1cccc(c1)C=CC(N2C(CN(CC2)c3nccnc3C#N)C(=O)N)=O	83
+Clc1cccc(c1)C=CC(=O)N2C(C(O)=O)CN(CC2)c3nccnc3C#N	4
+Clc1cccc(c1)C=CC(=O)N2CCN(CC2C#N)c3nccnc3C#N	143
+FC(F)(F)c1n2nc(N3CCN(CC3)Cc4cc(Cl)ccc4)ccc2nn1	48
+Clc1cccc(c1)C(O)Cc2ncccc2	9098
+Clc1cccc(CNCCc2ccc3c(c2)NC(=O)C(C)O3)c1	42
+c1ccccc1S(=O)(=O)NC2CN(c3c(cccc3)C2)Cc4cc(Cl)ccc4	3043
+Clc1cccc(CNc2cc(n(C)n2)C(=O)OC)c1	811
+C1Cc2c(ccc(OC)c2)C(=O)c3c1cc(cc3)Cl	358
+Clc1cccc(c1)CCc2c(C(=O)O)nc(o2)C	6
+Clc1cccc(CSc2nnc(o2)-c3cc4c(occ4)cc3)c1	9099
+Clc1cccc(c1)COc2cc3OC(C=C(CCN)c3cc2)=O	9100
+Clc1cccc(c1)COc2cc3OC(C=C(CC#N)c3cc2)=O	9101
+Clc1cccc(C#Cc2nc(C)ccc2N)c1	129
+Clc1cccc(Oc2cc(C=O)ccc2OC)c1	754
+Clc1cccc(C#CCCCCC(c2ncc(-c3ncccc3)o2)=O)c1	121
+c1ccccc1COc2nnc(C#Cc3cc(Cl)ccc3)cc2OCc4ccccc4	129
+Clc1cc(ccc1)N2C(=O)C=CC=C2	3044
+c1cc(ccc1-c2c3c(nn(C)c3cnc2)N)NC(Nc4cc(ccc4)Cl)=O	124
+c1cc(ccc1NC(Nc2cc(ccc2)Cl)=O)-c3c(-c4ccnc5[nH]ccc45)cn(CC)n3	124
+O=S(=O)(c1cc(ccc1)Cl)c2cc(CC(=O)OC)cc(c2)OC	9102
+O=Cc1n(-c2ncccc2Cl)c(Cl)c(Br)c1	2148
+O1CCOC12CCC(CC2)(O)c3ncccc3Cl	938
+Cc1ccc(cc1-c2cc3nnc(-c4c(cccc4)Cl)n3cc2)C(=O)O	3032
+Cc1c(c(-c2ccc(Cl)cc2F)ccn1)C=O	699
+FC(F)(F)c1ccc(cc1)-c2c3c(sc2C)cc(cc3)OCCN(c4nc(ncc4)C)C	54
+c1cc(ccc1F)-n2ccc3cc(ccc23)OCCCCN(C)c4ccnc(n4)C	54
+FC(F)C1COC(CN1C(=O)c2cc3c(c(c2)OC)oc(NCc4nccc(Cl)c4)n3)(CCO)C	30
+Clc1ccnc(CNc2nc3c(o2)c(cc(c3)C(=O)N4CC(C)OCC4C(O)C)OC)c1	30
+Clc1ccnc(CNc2nc3c(o2)c(cc(C(=O)O)c3)OC)c1	1
+c12cc(-c3cc(ccc3)[N+]([O-])=O)ccc1c(cn2-c4ccnc(n4)SC)Br	2186
+c1cc(ccc1)-c2c3ncn(c3cc(c2)N(c4nc(ncc4)SC)C)Cc5ccccc5	860
+c1cc([N+]([O-])=O)cc(c1)-c2cc3c(cc2)ccn3-c4ccnc(n4)SC	2186
+c1cc(ccc1)-c2cc(nnc2Cl)Nc3ccnc(n3)SC	349
+c1ccccc1-c2c3ncn(C)c3cc(N(C)c4ccnc(SC)n4)c2	860
+c1cc(ccc1Oc2c(cc(cc2)Cl)Nc3ccnc4c3ccc(CCC)n4)C(=O)NCCOC	698
+c1cc(ccc1O)Sc2ccc(C)cc2Nc3ccnc4c3ccc(CCC)n4	698
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3sc(Br)cc3ncc2	680
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(s3)SC	680
+ON=Cc1cc2nccc(Cl)c2s1	9103
+FC(F)(F)c1ccc(Sc2ccc(cc2)NC(=O)C)c(Nc3c4c(ncc3)nc(C)cc4)c1	698
+c1(C)cccc(Sc2c(Nc3c4ccc(nc4ncc3)C)cc(C)cc2)c1	698
+Cc1cc(Nc2ccnc3nc(C)ccc23)c(cc1)Sc4cc(ccc4)NC(C)=O	698
+c1c(cccc1O)Sc2c(cc(C)cc2)Nc3ccnc4nc(C)ccc34	698
+c1cc(ccc1)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	698
+c1cc(ccc1O)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	698
+c1cc(ccc1O)Sc2ccc(OCc3cccc(Br)c3)cc2Nc4ccnc5nc(C)ccc45	698
+C1CC1c2c(Cl)ccnc2	2060
+c1cc2c(sc(NC3C(O)CCCC3)n2)cc1Oc4c(Br)cncc4	242
+c1(c(F)c(ccc1)Nc2c([N+]([O-])=O)cncc2)F	179
+O(CC)P(OCC)(=O)NC1CN(CCC1Cl)c2c([N+]([O-])=O)cncc2	264
+Cc1c(cccc1)-c2c([N+]([O-])=O)cncc2	699
+c1ccccc1COc2ccncc2[N+](=O)[O-]	260
+c1csc(c1Cl)C(NC(C(=O)OC)Cc2ccc(CCCc3ccc4c(n3)NCCC4)cn2)=O	2765
+Clc1cn(nc1)-c2ccc(cc2Cl)C(C)C(NN)=O	743
+c1cc(ccc1C(=O)N)N2CCN(CC2)Cc3nc4c(Cl)cc(Cl)cn4c3	4675
+c1cc(ccc1C(C)(C)C#N)C(=O)Nc2nc3n(cc(Cl)cc3)c2	1351
+Clc1cnc(-c2cc(c(cc2)O)F)cc1	5
+Clc1cnc(-n2c(ccn2)N)c(Cl)c1	4360
+Clc1cnc(c(Cl)c1)-n2c(c([N+]([O-])=O)cn2)NC(CC)=O	1733
+FC(F)(C(=O)OCC)c1ncc(Cl)cc1Cl	1796
+c1cc(ccc1C(OC)=O)-c2c(C)cc(Nc3ncc(Cl)c(Br)c3)c(OC)c2	1759
+Clc1cnc(C(=O)C)c(Cl)c1	9104
+c1cc(ccc1C(NCCc2ncc(cc2Cl)Cl)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	14
+Clc1cnc(c(C(=O)OC)c1)-c2cc(F)ccc2	140
+Clc1c[n+](c(c(C(=O)OC)c1)Cl)[O-]	341
+c1cc(ccc1)COCC(C(=O)Nc2cc(cnc2Cl)Cl)Oc3ccc(c(c3F)C(=O)N)F	308
+NC(=O)C1C(Nc2c(c(N)ncc2Cl)[N+](=O)[O-])C3CC1C=C3	105
+O=S(=O)(NC(C=Cc1c(Oc2ncc(Cl)cc2Cl)cc(OCCOC)cc1)=O)CCCCC	4596
+Clc1cnc(Oc2cc(ccc2C=CC(=O)O)OCCOC)c(Cl)c1	108
+Clc1cnc(Oc2cccc(CO)c2)cc1	41
+CCOP(OCC)(Cc1cc(ccc1)Oc2ncc(cc2)Cl)=O	590
+Clc1c[n+](c(-c2cc(F)ccc2)c(C(=O)OC)c1)[O-]	9105
+Clc1cnc(Oc2cc(ccc2C=CC(OCC)=O)OCCOC)c(Cl)c1	136
+c1cc(ccc1Oc2c(Cl)cc(cn2)Cl)OC(C(=O)N3CCCO3)C	136
+n1cc(Oc2cccnc2)cc(OCCOC)c1[N+]([O-])=O	9106
+c1cc(ccc1)Oc2cnc(c(c2)OCCOC)[N+](=O)[O-]	9107
+Clc1cnc(-c2cc(c(cc2)OC)F)cc1	119
+Clc1cnc(cc1)CO	398
+Clc1cnc(cc1)C(Nc2ccc(c(c2)C34NC(=N)COCC3C4)F)=O	2518
+Clc1cnc(cc1)C(Nc2nc(C3(CF)COCC(=S)N3)ccc2)=O	199
+c1cc(cc[n+]1[O-])OCc2ncc(Cl)cc2	1210
+Clc1cnc(cc1)COc2ccnc(O)c2	3045
+Clc1cnc(cc1)COc2ccnc(O)c2	9108
+Clc1cnc(Oc2cccc(C=O)c2)cc1	136
+c1cc(ccc1)-c2ccc(cn2)Cl	140
+Nc1ncc(Cl)cc1I	583
+c1c(ccc(NC(c2c(cccc2)[N+]([O-])=O)=O)n1)Cl	330
+c1ccccc1C2CCCN(C2=O)CC(=O)Nc3ccc(cn3)Cl	142
+n1c(Br)cc(-c2c(nc3n2cc(Cl)cc3)-c4nc(ccc4)C)cc1	9109
+c1ccccc1C(=O)Nc2ccccc2OCC(O)CN3CC(CC3)Oc4ncc(Cl)cc4	170
+c1([N+]([O-])=O)cc(c(OC)cc1F)Nc2nc(-c3cnn4ccccc34)c(Cl)cn2	55
+n1c(Nc2c(ccc([N+]([O-])=O)c2)C(NC)=O)c(Cl)cnc1Cl	73
+n1c(Nc2cc(C)[nH]n2)c(Cl)cnc1Cl	349
+CC(C)S(=O)(=O)c1c(Nc2c(cnc(n2)Cl)Cl)cc(cc1)C=C	73
+O=S(=O)(N(C)c1c(cc(Br)cc1)Nc2nc(ncc2Cl)Cl)C	73
+O=S(=O)(NCC(Nc1c(cnc(n1)Cl)Cl)C)C	40
+Clc1cnc(nc1SC)Cl	2147
+[N+]([O-])(=O)c1c(cccc1)Oc2nc(ncc2Cl)Cl	185
+n1c(Nc2c(C(NCC)=O)cccc2F)c(Cl)cnc1Cl	73
+c1(c(Nc2c(cccc2)C(=O)NC)nc(nc1)Cl)Cl	73
+c1cc(ccc1)Nc2nc(ncc2Cl)Cl	73
+c1ccc2c(c1)C(=O)N(C2=O)C3COC4C(COC34)Nc5nc(ncc5Cl)Cl	40
+Clc1cnc2ccc(C(Cl)=NO)cc2c1	761
+Clc1cnc2ccc(C=NO)cc2c1	135
+Clc1cnc2nc(NCCO)c(nc2c1)NN	1386
+Clc1cnc2c(c1)n3c(c(NCCO)n2)nnc3	2825
+CC(C)c1nn2c(ccc(C(=O)Nc3c(Cl)cncc3Cl)c2c1)OC	9110
+Clc1cncc(Cl)c1NC(c2ccc(c3oc4ccncc4c23)OC(F)F)=O	9111
+c1c(Cl)c(c(cn1)Cl)NC(c2cccc(C#N)c2)=O	67
+Clc1cncc(Cl)c1NC(c2c3cc(C=O)nn3c(cc2)OC)=O	178
+Clc1cncc(Cl)c1NC(=O)c2ccc(OC)n3nc(cc23)C#N	4676
+Clc1cncc(Cl)c1NC(=O)c2c3n(c(cc2)OC)nc(CO)c3	168
+Clc1cncc(Cl)c1NC(=O)c2c3n(nc(C=NO)c3)c(OC)cc2	688
+Clc1cncc(Cl)c1Sc2c([N+]([O-])=O)cc(s2)C(OC)=O	4539
+Clc1cncc(Cl)c1Sc2c([N+]([O-])=O)cc(C(O)=O)s2	1
+c1cc(ccc1)CN2C(C(=C(Cl)C=N2)Cl)=O	9112
+C1CC(CCN1c2c(ccc(C)n2)C#N)=CC#Cc3cc(F)cc(F)c3	43
+c1(nc(C)ccc1C#N)N	664
+[nH]1nc2c(cnc(C)n2)c1	9113
+FC(F)(F)c1cc(Nc2nc(Cl)nc(Cl)n2)ccc1F	360
+FC(F)(F)c1c(CNC(C2CCN(CC2)c3nc(Cl)nc(n3)Cl)=O)cccc1	436
+c1(Cl)nc(nc(Cl)n1)Nc2cc(Cl)c(F)cc2	360
+c1(Cl)nc(nc(Cl)n1)NC2C(OC)Cc3c2cccc3	387
+Clc1nc(nc(Cl)n1)Nc2ncn(CCc3ccccc3)c2	3555
+c1cc(ccc1)COc2nc(Cl)nc(Cl)n2	2221
+c1(Cl)nc(nc(Cl)n1)N(C)c2ccccc2	3036
+c1cc(ccc1C(OC)=O)CNc2nc(Cl)nc(n2)Cl	387
+c1cc(ccc1N(C)CCOc2nc(Cl)nc(n2)Cl)-c3sc4c(cccc4)n3	2221
+c1(Cl)nc(nc(Cl)n1)Nc2ccc(NC(C)=O)c(OCc3ccccc3)c2	360
+c1(Cl)nc(nc(Cl)n1)Nc2ccc(OCc3ccccc3)c(Cl)c2	360
+Clc1ncc(Br)c(Nc2n[nH]c(C)c2)n1	349
+Clc1ncc(Br)c(O)n1	1173
+c1(cc(C(c2cnc(nc2Cl)Cl)O)ccc1)Br	4677
+n1c(NCCCNC(Nc2cc([N+]([O-])=O)ccc2)=O)c(cnc1Cl)Br	40
+c1ccccc1C(C)Nc2c(cnc(Cl)n2)Br	40
+C1CN(CCC1Nc2c(Br)cnc(Cl)n2)Cc3ccccc3	40
+c1c2c([nH]cc2-c3nc(ncc3C)Cl)ccc1	4678
+Clc1ncc(F)c(O)n1	1173
+c1(cc2c(OCCO2)cc1)Nc3c(F)cnc(Cl)n3	73
+c1(cc(c(F)cc1-c2c(F)cnc(n2)Cl)F)F	198
+Clc1ncc(F)c(C)n1	9114
+c1cc(N)c(Nc2c(F)cnc(n2)Cl)cc1	73
+C1CCC1N(CC(F)(F)C(=O)OCC)c2c(cnc(Cl)n2)[N+]([O-])=O	54
+C1CCCC1N(CC(F)(F)C(=O)OCC)c2c(cnc(Cl)n2)[N+]([O-])=O	54
+Nc1c(cnc(Cl)n1)[N+](=O)[O-]	266
+Clc1ncc(c(NC)n1)[N+](=O)[O-]	40
+O=S(=O)(c1ccccc1Nc2c(cnc(n2)Cl)[N+](=O)[O-])NC	73
+c1cc(ccc1Nc2c(cnc(Cl)n2)[N+](=O)[O-])I	73
+c1cc(ccc1OCC)Nc2c(cnc(Cl)n2)[N+](=O)[O-]	73
+c1cc(ccc1Nc2c(cnc(Cl)n2)[N+](=O)[O-])OC	73
+c1cc(nc(c1)Cl)N(c2ccnc(n2)Cl)C	9115
+Nc1cc(nc(SC(c2ncc3c(c2)cccc3)C)n1)Cl	9116
+c1c2nc(C(=O)OCC)cn2c(Cl)cc1	1959
+O(c1c(OC)ccc(c1)-c2ccnc(n2)N)C	511
+n1c(C)nc(Cl)cc1N	266
+c1(Oc2nc(C)nc(Cl)c2)cc3OC(Nc3c(C)c1)=O	185
+c1(cc(F)ccc1)-c2cc(Cl)nc(n2)C	198
+O=S(=O)(NC)Cc1ccc(cc1)Oc2nc(nc(c2)Cl)C	185
+c1(nc(nc(Cl)c1)-n2c3cccc(c3nc2C(F)F)OC)Cl	1098
+n1c(nc(cc1Nc2cc3c[nH]nc3cc2)Cl)Cl	73
+c1ccccc1C=Cc2cc(Cl)nc(Cl)n2	4679
+c1(cc(Cl)c(F)cc1)-c2cc(nc(Cl)n2)Cl	198
+c1cc(ccc1)-c2cc(nc(Cl)n2)Cl	198
+c1(Cl)nc(nc(Cl)c1)Nc2ccccc2	55
+c1cc(ccc1C(C)Nc2nc(Cl)cc(n2)Cl)F	96
+c12c3ccccc3n(c1cccc2)-c4nc(Cl)cc(n4)Cl	9117
+c1(ncc(cc1C)C(=O)OCC)N2CCN(C(C)C2)c3cc(nc(N4C(C)CCC4)n3)Cl	54
+c1cc(ccc1-c2cc(Cl)nc(N3CCCC3C)n2)F	198
+O=S(=O)(C)c1nc(cc(N2CC3CC2CO3)n1)Cl	54
+c1(cc(cc(F)c1-c2c(Cl)nc(nc2Cl)-n3ccnc3)F)F	937
+c1cc(ccc1Br)N2CCOc3nc(nc(Cl)c3C2=O)C	145
+c1cc(ccn1)CN2c3c(CC2=O)c(Cl)nc(N)n3	9118
+n1c(nc(c(F)c1Nc2cc(C)[nH]n2)Cl)Cl	349
+N(c1nc(nc(Cl)c1N)N)C2CCOc3c(F)cccc23	40
+C1CC1c2nc(Cl)c(c(NS(=O)(=O)c3ncc(cc3)C(C)C)n2)Oc4c(cccc4)OC	570
+Cc1nc(Cl)nc(N)n1	1342
+S(c1nc(C)nc(Cl)n1)C	9119
+c1(cc(cc(Cl)c1)Nc2nc(NC)nc(n2)Cl)Cl	360
+C1CC1Nc2nc(nc(Cl)n2)N	1342
+c1nc(ncc1F)C(Nc2nc(Cl)nc(Nc3ncn(CC#N)c3)n2)C	387
+c1cc(ccc1)CCn2cc(nc2)Nc3nc(NC(c4ncc(cn4)F)C)nc(n3)Cl	387
+c1(-n2cc(nc2)CO)c(cc(cc1)Nc3nc(nc(Cl)n3)OC)OC	360
+c1(c(c(nc(SC)n1)N)C#N)NC(C)c2nc3c(cc2-c4cscn4)n(cc3)C	40
+c1cc(ccc1Cl)Nc2nc(Cl)nc3n(cnc23)CC	1545
+C1CCCC(n2c3nc(nc(Cl)c3cn2)Cl)O1	1846
+Clc1c(cc2ccccc2n1)C(Nc3ccc(C(OC)=O)nc3)=O	1549
+n1cc(cnc1C(C)Nc2nc(c(Br)cn2)Nc3n[nH]c(C)c3)F	3927
+c1cc(ccc1Nc2ncc(c(n2)O)Br)SC	55
+CC(C)(c1nc(ncc1F)Cl)O	9120
+Brc1c(cccc1)CN2C(=NC=C(F)C2=O)Cl	9121
+OC(CN=[N+]=[N-])Cn1c(Cl)nc(c1)[N+](=O)[O-]	2930
+Nc1c(NC)nc(Cl)nc1	193
+Nc1c(O)nc(Cl)nc1	193
+n1cccnc1N2CCN(CC2)c3ncc(c(SCC(OC)=O)n3)[N+](=O)[O-]	117
+c1c(N)cc(-c2c3c(sc2)cnc(Cl)n3)cc1	4680
+c12c(scc1C(Nc3ccc4c(n3)ccnc4)=O)cnc(Cl)n2	9122
+Ic1[nH]nc2c1cnc(Cl)c2	4667
+C1CCCC(n2c3c(cnc(Cl)c3)cn2)O1	580
+COc1cc(cc(OC)c1)-c2ncc3c([nH]nc3)c2	1165
+FC(F)Cn1ncc(Nc2ncc3c([nH]nc3)n2)c1	486
+C(c1cccc([N+]([O-])=O)c1)n2ncc3cnc(nc23)Cl	1485
+COc1cc(ccc1-c2cc(Cl)ncc2)F	835
+c1(c(F)c(ccc1)-c2cc(Cl)ncc2)F	835
+c1ccccc1C(C)Nc2cc(ccn2)Br	70
+c1cc(ccc1C2N(c3ccnc(c3)Cl)CCC2)F	1465
+Clc1nccc(CO)c1	611
+FC(F)(F)c1ccc(O)c(NC(c2cc(Cl)ncc2)=O)c1	67
+FC(F)(F)c1cccc(CNC(c2cc(ncc2)Cl)=O)c1	14
+FC(F)(F)c1cnc(Nc2nccc(c2)C(O)=O)cc1	346
+c1c(F)c(F)cc2CCN(C(c3ccnc(c3)Cl)=O)c12	610
+NC(=S)NNC(c1ccnc(Cl)c1)=O	3046
+c1(cc(Cl)ncc1)-c2nc3c([nH]2)ncc([N+]([O-])=O)c3	2245
+NNc1nccc(C)c1	383
+c1cc(ccc1C(Cc2cc(Cl)ncc2)=O)F	9123
+Fc1cccc(F)c1S(=O)(=O)Nc2cc(ccc2F)C(Cc3nc(Cl)ncc3)=O	1501
+n1ccc(nc1Nc2cc(Br)cc(C)c2)C	55
+c1c(F)c(c(cc1)F)C(Nc2cccc(C(Cc3ccnc(Cl)n3)=O)c2)=O	1501
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2cccc(c2F)C(=O)Cc3ccnc(n3)Cl	4559
+c1cc(ccc1F)OCc2cc(ncc2)Cl	20
+c1cc(ccc1)C2=NN(CCNc3cc(ncc3)Cl)C(=O)C=C2	3441
+N1(CCNC1=O)c2ccnc(Cl)c2	1760
+O(c1cc(c([N+]([O-])=O)cc1F)F)c2ccnc(c2)Cl	46
+O(c1ccnc(Cl)c1)c2cnc(cc2)[N+]([O-])=O	706
+FC(F)(F)Oc1ccc(cc1)Cc2nccc(C(OC)=O)c2	9124
+c1(cc(c(F)cc1)C#N)-c2cc(ccn2)C(=O)OC	4681
+c1ccccc1COc2ccc(-c3nccc(C(OC)=O)c3)cc2C#N	4681
+CC(C)COc1ccc(cc1C#N)-c2nccc(C(OC)=O)c2	140
+O=S(=O)(C)C1CN(c2cc(C)nn2-c3cc(Cl)ncc3)C(C1)C(=O)OC	4682
+c1ccccc1S(=O)(=O)C2CN(c3n(nc(C)c3)-c4cc(Cl)ncc4)C(C2)C(=O)OC	4682
+c1c(Oc2ccnc(Cl)c2)c(F)cc(N)c1	3511
+c1c2CCC(Cc2ccc1C(=O)OC)Oc3ccnc(Cl)c3	1895
+c1ccccc1COc2cc(Cl)ncc2	1895
+c1(NC(C)=O)c2[nH]ccc2ccn1	9125
+c1ccccc1C(c2ncccc2)C#N	9126
+n1c(Br)n2c(c(N)ncc2)c1Br	522
+C1(N(c2c(F)c(ncn2)Cl)CC(C)CCC1)C	54
+FC(F)(F)c1c(CNC(=O)C2CCN(CC2)c3ncnc(Cl)n3)cccc1	436
+c1c(OC)c(c(cc1Nc2nc(Cl)ncn2)OC)OC	360
+O=S(=O)(Cc1cccc(Nc2nc(Cl)ncn2)c1)C	360
+O=S(=O)(Cc1cccc(c1)Nc2nc(Cl)ncn2)N	360
+S(C)(Cc1cccc(c1)Nc2nc(ncn2)Cl)(=O)=NC(OCC)=O	360
+c1c(ncnc1N)-c2ccc(cc2OC)F	198
+Nc1cc(ncn1)-c2c(cccc2)OC	198
+Nc1cc(ncn1)-c2ccccc2OCC	198
+c12cc(Oc3ncnc(N)c3)ccc1[nH]cc2	185
+c1ccccc1Oc2ncnc(N)c2	185
+O1C(=O)Nc2ncc(C=CC(=O)N(C)Cc3c4ccccc4n(C)c3)cc12	9127
+O=C1c2ccccc2C(=O)N1CCCCN(C3c4c(CCC3)cccn4)Cc5nc6ccccc6n5C	566
+n1(C)c(C(c2c(c(Cl)c(c(c2)OC)OC)Cl)O)ccn1	4586
+O=S(=O)(Cl)c1cnn(c1)C	9128
+C1Cc2c(-c3c1c(sc3OCC)C(=O)O)n(C)nc2	6
+FC(F)(F)c1cc(nc(c1)F)C#N	2250
+O(c1c(ncc(F)n1)C(=O)N)C	9129
+c1cc(ccc1)COCC(c2c(cc(Br)cc2)C)CF	2831
+O=S(=O)(c1cc(ccc1Cl)[N+]([O-])=O)F	4683
+O1C(N(c2ccnc(F)n2)C(C(C)F)C1)=O	9130
+c1(Br)c(Cl)ccc(F)n1	3574
+c1(c([N+]([O-])=O)cc(C)c(F)c1)OC	9131
+c1(c(c([N+]([O-])=O)ccc1)F)C	9132
+n1c(c(ccc1F)[N+]([O-])=O)C#N	2250
+c1c(cc2c(F)c(cnc2c1)-c3cnn(C)c3)Br	4356
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(COCCCCCCCCCCCCCCCC)CF	2831
+c1cc(ccc1-c2ccc(CCCCCCCC)c(n2)F)OCCCCCCCC	2250
+c1ccccc1C(CF)C	9133
+c1cc(ccc1-c2nc3ccccc3c(F)c2)N	9134
+c1cc(ccc1S(=O)(=O)C(c2cc(ccc2F)F)CCCCF)Cl	9135
+O=S(=O)(c1ccc(cc1)CC(O)=O)F	4683
+O=S(=O)(CCCCCCCc1ccc(cc1)OCc2ccccc2)F	9136
+n1cc(c2cc(OC)c(cc2c1F)F)OC	2250
+FC(F)(c1c(cc(c(C)c1)NC(=O)C)F)C(=O)OCC	4433
+FC(F)(c1ccc(cn1)C)C(=O)OCC	1796
+c1ccccc1CC(C(C(F)(F)C(=O)OCC)O)NC(=O)OCc2ccccc2	9137
+FC(F)(C(=O)OCC)c1ccccn1	1796
+FC(F)(c1ccccc1)CNc2ccc(c(CCO)c2F)Cl	15
+FC(F)(F)c1cc(OC(F)F)nc2n3c(ccc12)nc(-c4ocnn4)c3	9138
+FC(F)(F)c1cc(c(cc1)F)OC(F)F	824
+FC(F)Oc1c(cc(C=O)cc1)C	824
+FC(F)Oc1c(OC)cc(cc1)C=O	824
+FC(F)Oc1c([N+]([O-])=O)ccc(c1)F	824
+FC(F)Oc1ccc(cc1C)Br	824
+FC(F)Oc1ccc(Br)cc1CCO	824
+FC(F)Oc1c(F)cc(cc1)Br	824
+FC(F)Oc1cnc(Br)cc1	9139
+c1cc(ccc1-c2nc3ccc(COc4ccc(cc4)C(CC(=O)OCC)C#CC)cn3n2)OC(F)F	824
+FC(F)Oc1cc(OC)c([N+](=O)[O-])c(c1)-n2cc(C)nc2Br	824
+FC(F)OCCCc1cc(cc(c1C)Br)C(OC)=O	4684
+c1cc(ccc1)C(N2C(=O)c3c(cccc3)C2=O)COC(F)F	4684
+c1ccccc1CN(Cc2ccccc2)C(COC(F)F)C(=O)OC	9140
+FC(F)(OC)C(F)(F)C(=O)N	327
+FC(F)(c1ncccc1)CO	44
+FC(F)(CO)c1ncc(C)cc1F	44
+FC(F)(CO)c1ncc(cc1Cl)Cl	44
+FC(F)(C(C)=C)CCCCCCCCCCCCCCCC	9141
+FC(F)(CCO)C(C)(C)OC(C)OCC	59
+FC(F)(C(F)(F)Cl)c1ccc(cc1)NC(c2cnc(N3CCC(O)C3)c(c2)-c4ccn[nH]4)=O	747
+FC(F)(C(F)Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1O	26
+FC(F)(C(F)Cl)C(=O)Nc1c(cc(cc1)N)O	0
+FC(F)(COc1ccc(cc1)C=O)C(F)F	57
+FC(F)(Oc1cc(ccc1)Nc2nccc(n2)-c3ccnc(C#N)c3)C(F)F	4685
+FC(F)(c1nc(O)c2ccccc2n1)c3ncc(F)cc3	1677
+FC(F)(C(=O)Nc1cc(ccc1)OC(C(=O)O)CCCCCCCCCCCC)C(F)Cl	3
+FC(F)(c1ccc(F)c2ccccc12)C(=O)Nc3c(F)c(c(cc3)N)CCO	59
+c1ccccc1CCCN2CC(F)(F)C(Nc3cnc(nc23)Cl)=O	1622
+FC(F)(C)c1n(c(nn1)C)C2CCN(CC2)Cc3ccccc3	3762
+FC(F)(C)C(=O)NC(C)C(Oc1cc2c(n(-c3cc(Br)ccc3)nc2)cc1)c4ccc(OC)nc4	9
+c1cc(ccc1-n2ncc3cc(ccc23)OC(c4cccc(OC)c4)C(NC(=O)C(F)(F)C)C)Cl	9
+FC(F)(CNCCO)C	15
+FC(F)(C=CC(O)=O)C	108
+C1CC2(CC2)CCN1C(=O)NC(CC(F)(F)C)C(O)=O	4
+FC(F)(C)COc1ncc(cc1C)CN2Cc3c(ccnc3Cl)C2=O	3047
+FC(F)(C)COc1c(cc(cn1)CN)C	45
+FC(F)(C)COc1c(cncn1)CN	9142
+FC(F)(C)c1cc(c(C(=O)OC)cc1I)N	184
+FC(F)(C)c1n(C2CCNCC2)c(nn1)C	25
+FC(F)(c1nn2cc(nc2s1)C(Nc3c([N+]([O-])=O)cccc3O)=O)C	9143
+FC(F)(C)c1sc2nc(cn2n1)C(=O)O	6
+FC(F)(SCC)C(Cn1cncn1)(O)c2c(F)cc(cc2)F	1377
+FC(F)(CCC(=O)O)Cl	3
+FC(F)(CCOS(=O)(=O)c1ccc(cc1)C)C(C)(C)OC(OCC)C	36
+FC(F)(C(C)(C)OC(C)OCC)CCI	1319
+FC(F)(c1ccc(C)cn1)CN=[N+]=[N-]	1445
+c1cc(ccc1-c2n(-c3c(Cl)cccc3)nc(c2OC(=O)C)C(=O)N(CCO)CC(F)(F)C)Cl	147
+FC(F)(CNc1c(F)c(c(cc1)Cl)CC=O)c2ccc(c3ccccc23)F	24
+FC(F)(CNc1ccc(C#N)c(CC(=O)O)c1F)c2ccc(cn2)C	3
+FC(F)(C)COc1ncncc1C#N	145
+c1cc(ccc1)C(NC(NC2(c3c(OCC24CC4)ccc(Br)c3)C(F)(F)CO)=S)=O	1993
+c1cc(ccc1)COCC(F)(F)CO	149
+FC(F)(F)S(=O)(=O)OCC(F)(F)c1ncc(cc1F)C	1932
+FC(F)(c1ncc(Cl)cc1Cl)CN	9144
+FC(F)(COc1ccc(cc1)CN2CC3N(CC2C3)Cc4ccc(cc4)C(=O)OC)C(F)F	48
+c1cc(ccc1C(=O)O)CN2C3CC(N(Cc4ccc(cc4)OCC(F)(F)C(F)F)C3)C2	1
+FC(F)Oc1ccc(-c2n3nc(C)c(-n4nc(C)nc4C)c3oc2C)c(c1)C	9145
+FC(F)(c1c(Cl)cc(C(OC)=O)c(O)n1)Cl	395
+FC(F)(F)C(c1cc(C)c(c(C)c1)NC(c2cccc([N+]([O-])=O)c2)=O)=C	50
+FC(F)(F)C(=C)c1cc(C)c(c(C)c1)NC(=O)c2cccc(c2)NC(=O)c3c(C)cccc3	67
+FC(F)(F)C1(CC(=NO1)c2cc3c(cccc3Cl)s2)c4cc(Cl)cc(Cl)c4	3048
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c4CCCCc4c(C(OC)=O)s3)C1	3048
+FC(F)(F)C=1NC(N(C(C=1)=O)c2c(F)cc(c(OCC)c2)Br)=O	4686
+FC(F)(F)C=1NC(N(c2c(c(N)c(Cl)cc2F)OC)C(=O)C=1)=O	4686
+FC(F)(F)C1=CC(N(C(=O)N1)c2ccc3c(c(ns3)-c4cc(C)c(OC)cc4)c2)=O	2375
+FC(F)(F)C1(ON=C(C1)c2sc(c3c2CCC3)C(OC)=O)c4cc(Cl)c(c(Cl)c4)F	3048
+FC(F)(F)C(Cl)=CC1C(C)(C)C1C(=O)OCc2c(c(F)nc(c2Cl)F)Cl	204
+FC(F)(F)C(=Cc1cc(c(cc1)C(O)=O)C)C	6
+FC(F)(F)C(C=Cc1ccc(cc1)O)=O	964
+FC(F)(F)c1nc(c(-c2ccc(cc2)F)nc1)O	2989
+FC(F)(F)c1c(C)c(ncn1)O	9146
+FC(F)(F)c1nc2c(N)cccn2c1	9147
+FC(F)(F)C1(CN(c2ccc(cc2)S(=O)(=O)C)C(c3ccccc3)=N1)O	9148
+FC(F)(F)C1(CN(C(c2ccc(cc2)C)=N1)c3ccc(cc3)S(=O)(=O)C)O	4687
+FC(F)(F)C1(O)N=C(N(c2ccc(cc2)S(=O)(=O)C)C1)c3cc(Cl)c(C)cc3	4687
+FC(F)(F)c1nc(sc1)C(NC(=O)OCc2ccccc2)C	9149
+FC(F)(F)c1nc2cnccn2c1	9150
+FC(F)(F)c1n[nH]c(C)c1	4688
+FC(F)(F)C(c1c(-c2ccccc2)c3c(sc(Cl)c3)nc1C)=O	4005
+FC(F)(F)c1nn(-c2ccc(cc2)CCO)c(C)c1	9151
+FC(F)(F)c1cc(C2CC2)n[nH]1	4688
+FC(F)(F)c1c(C(=O)OCC)cc2ccc(C(F)(F)F)nc2n1	9152
+FC(F)(F)c1cc(nc2nc(N)ccc12)O	9153
+FC(F)(F)c1cc(nc2c(C(=O)OC)cnn12)-c3ccc(cc3)OC	9154
+FC(F)(F)c1cc(-c2ccc(cc2)C)n(-c3ccc(F)c(Cl)c3)n1	2251
+FC(F)(F)C(N(C1CCC(CC1)=O)C(C)c2ccccc2)=O	97
+N(C)c1ccc2nc(oc2c1)C	1761
+FC(F)(F)C(=O)N(Cc1ccnc2ccccc12)C3CC(Cc4ccccc4)N(CC3)C(=O)c5c(cccc5Cl)Cl	115
+C1CC1NC2CCN(CC2)C(OC3(CC3)C)=O	318
+C1C(CCCN1CCN2C(=O)C=Cc3ncc(F)cc23)CNCc4ncc5c(OCCO5)c4	318
+FC(F)(F)C(N(CC1CNCCC1)Cc2cc3c(cn2)OCCO3)=O	2
+c1(cccc(Cl)c1C(=O)N2C(Cc3ccccc3)CC(NCc4ccnc5c4cccc5)CC2)Cl	318
+FC(F)(F)C(=O)N(c1cc([N+](=O)[O-])ccc1C(=O)Nc2c3c(n[nH]2)ccc(Cc4cc(F)cc(c4)F)c3)C5CCOCC5	650
+FC(F)(F)C(N(c1c(C(=O)Nc2c3c(n[nH]2)ccc(Cc4cc(F)cc(c4)F)c3)ccc(N)c1)C5CCOCC5)=O	0
+FC(F)(F)C(=O)N(c1cc2OCC(CC(OC)=O)c2cc1)C3CCc4c(Nc5cc(ccc5N)F)cccc34	0
+c1cc(ccc1NC)C#CCCCO	1761
+N#Cc1c(NC)cccc1	1761
+FC(F)(F)C(N1C2CC(CC1CC2)C3c4ccccc4Oc5c3ccc(c5)Br)=O	4689
+C1C2CCC(CC1c3ccnc4n3nc(-c5ccncc5)c4I)N2	318
+CC1c2c(CCNC1)cc(OCC=C)c(c2)Br	318
+FC(F)(F)C(N1CCc2cc(O)c(cc2C(C)C1)Br)=O	5
+FC(F)(F)c1oc(cc1)COc2ccc(Br)cc2CC3CNC3	318
+FC(F)(F)C(N1CC(C1)Cc2cc(ccc2O)Br)=O	5
+FC(F)(F)C(N1CCCC(C1)c2c(NC(OCC)=O)c([N+]([O-])=O)ccc2)=O	2166
+FC(F)(F)C(=O)N1CC(c2cccc3[nH]cc(Cl)c23)CCC1	573
+C1CC2(CCN1Cc3cccc(CCO)c3F)CNCCO2	318
+FC(F)(F)C(N1CCC(CC1)NCc2ccc(cc2)F)=O	87
+FC(F)(F)C(N1CCC(CC1)NCc2ccc(cc2)Cl)=O	87
+C1CNCCC1C2=NCCc3cc(OC)ccc23	318
+FC(F)(F)CN1CCC(CC1)c2ccc(cc2)[N+]([O-])=O	9155
+FC(F)(F)C(=O)N1CCN(C(=O)C1)c2ccc(cc2)S(=O)(=O)Nc3sccn3	1140
+O=S(=O)(c1ccc(cc1)N2C(CNCC2)=O)Nc3sccn3	9156
+C1CN(CCN1)C(=O)c2sccn2	318
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCN(CC4)C(C(F)(F)F)=O	1499
+O=S(=O)(c1ccc(cc1)N2N=C(c3cc4c(cc3)CCNCC4)C=CC2=O)C	318
+O(c1cccc(OC)c1)Cc2cc3CCNCCc3cc2	318
+N1Cc2cc(ccc2CC1)CC(OC)=O	318
+FC(F)(F)C(N1CCc2c(CC1)ccc(c2)Oc3ncc(C(N)=O)cc3)=O	136
+FC(F)(F)C(N1CCc2c(CC1)cc(cc2)[N+]([O-])=O)=O	77
+FC(F)(F)C(=O)N1c2ccc(Br)cc2NCC1C	2252
+FC(F)(F)C(=O)N1C(C)CN(c2c1ccc(c2)Br)C(=O)c3c(F)cccc3	448
+C1CN(CCS1(=O)=N)c2ncc(cc2)C#N	4690
+FC(F)(F)C(=O)NC(C(NCCCC#Cc1ccccc1N)=O)CC	121
+c1c2ccccc2n(c1CCCNC(C(N)CC)=O)C	4691
+FC(F)(F)C(NC(C)Cc1cc(OC)ccc1OC)=O	165
+FC(F)(F)C(=O)NC(C(NCCCc1[nH]c2c(c1)cccc2)=O)CC	2112
+c1([nH]c2c(c1)cccc2)CCCNC(C(N)CC)=O	4691
+O=S(=O)(Nc1c(OCc2ccccc2)ccc(C(C(N)C)O)c1)C	399
+FC(F)(F)C(=O)NC(C(O)c1cc(NS(=O)(=O)C)c(cc1)OCc2ccccc2)C	80
+FC(F)(F)C(NC(C)Cc1ccc(cc1)Sc2ccc(cc2)OC)=O	826
+c1ccccc1C(N)COCC=C	399
+FC(F)(F)C(=O)NC1CCCN2C1c3c(cc(cc3)F)Oc4cc(c(cc24)C#N)F	180
+FC(F)(F)C(NC1CCN(CCC1)c2n(ncc2[N+](=O)[O-])CC(F)F)=O	959
+c1cc(ccc1Cl)NS(=O)(=O)c2ccc(c3CC(COc23)N)OC	399
+FC(F)(F)C(=O)NC1COc2c(ccc(OC)c2C1)S(=O)(=O)Nc3ccc(cc3)Cl	69
+FC(F)(F)C(=O)NC1Cc2c(cc(c(CC)c2)CC)C1	165
+c1cc2c(C(CCC2O)N)cc1F	399
+FC(F)(F)C(=O)NCC#Cc1cc(ccc1)N	0
+FC(F)(F)C(NCC1C2C(CC(C)C2)CN1)=O	2
+CC(C)(C)OC(N1C(CN)CCC(C)(C)C1)=O	399
+FC(F)(F)C(=O)NCC1CCC(CC1)Nc2c3cc(OC)ccc3nc(n2)C=Cc4ncccc4	40
+FC(F)(F)C(=O)NCC1CCC(CC1)N	12
+C1CC(CCC1Nc2c3cc(OC)ccc3nc(n2)C=Cc4ncccc4)CN	399
+C1CC2C(N(C(=O)c3nc(N)sc3-c4cc(F)ccc4)C1C2)CN	399
+C1C2C(CC(C)C2)C(CN)N1C(=O)c3nc(C)sc3-c4cc(C)ccc4	399
+c1cc(ccc1)COC(N2CC(OCC2)CN)=O	399
+FC(F)(F)C(NCC1CN(CCO1)Cc2ccc(Cl)c(Cl)c2)=O	171
+FC(F)(F)C(=O)NCC1OCCN(C1)C(=O)OCc2ccccc2	66
+C1CC2CN(CC1N2CCCCN)c3ccc(cc3)Cl	399
+C(CN(CCCCCCC(OCC)=O)C)N	399
+CC(C)(C)OC(NCCN(CCN=[N+]=[N-])CCN)=O	399
+FC(F)(F)C(=O)NCCN(C)CCCCCCC(OCC)=O	28
+FC(F)(F)C(=O)NCCN(CCN=[N+]=[N-])CCNC(OC(C)(C)C)=O	123
+FC(F)(F)C(=O)NCCc1nc(-c2ccc(cc2)C#N)oc1	160
+c1cc(ccc1C#N)-c2occ(n2)CCN	399
+FC(F)(F)C(=O)NCc1cc(c(cc1F)Cl)C=2NN(c3cc(c(cc3)C)Cl)C(=O)N=2	9157
+FC(F)(F)C(=O)NCc1cc(c(Cl)cc1F)C(=O)N	169
+NCc1cc(c(cc1F)Cl)C2=NC(N(N2)c3ccc(c(Cl)c3)F)=O	399
+C1CC1C#Cc2cc(c(cc2)N3C(=O)N=C(c4c(Cl)ccc(c4)CN)N3)F	4692
+FC(F)(F)C(=O)NCc1ccc(c(C2CCN(CC2)C(c3c4c(n(CCOC(F)(F)F)c3)cccc4Br)=O)c1)F	211
+FC(F)(F)C(NCc1cc(C2CCN(CC2)C(=O)c3cn(c4c3c(C)ccc4F)CCOC)c(cc1)F)=O	211
+FC(F)(F)C(Nc1c(c(N)c(cc1)O)C)=O	0
+FC(F)(F)C(=O)Nc1cc(N(C)c2ccc(cn2)[N+]([O-])=O)ccc1F	9158
+c1cc(ccc1)-c2c(c(OC)c(c(C#N)c2C)N)F	630
+FC(F)(F)C(=O)Nc1c(C)c([N+]([O-])=O)c(O)cc1	5
+FC(F)(F)C(=O)Nc1c(c(C)c(-c2ccccc2)c(c1OC)F)C#N	134
+Nc1cccc2CCOc12	630
+C1CCCN1C(Cc2cc(n(CC)n2)N)=O	4693
+FC(F)(F)C(=O)Nc1cc(N(C)c2ncc(cc2)N)ccc1F	13
+FC(F)(F)C(=O)Nc1cc(ccc1F)N(c2nc3c(nc(N)s3)cc2)C	4542
+C1CC1C(Nc2nc3c(nc(N(c4ccc(c(N)c4)F)C)cc3)s2)=O	630
+FC(F)(F)C(=O)Nc1cc(Oc2cc3sc(NC(C)=O)nc3cc2)ccc1	290
+c1cc2nc(NC(C)=O)sc2cc1Oc3cc(N)ccc3	630
+FC(F)(F)C(Nc1ccn2c(c(cn2)Cl)c1)=O	9159
+FC(F)(F)c1n(nnn1)-c2c(cc(cc2)OC)Br	9160
+N(C)(c1cc(Cl)c(N)cc1)Cc2sc(cc2)Cl	630
+Nc1ccc2c(nco2)c1C	630
+FC(F)(F)C(Nc1cc(ccc1)-c2nn3ccccc3c2-c4nc(Cl)ncc4)=O	4694
+c1c(cccc1Nc2nc(ccn2)-c3c(-c4cccc(N)c4)nn5ccccc35)F	630
+FC(F)(F)C(=O)Nc1cccc(C#Cc2nc(ncc2)Cl)c1	838
+n1ccn2cc(nc2c1)N	4695
+c1n2nc(ccc2nc1N)Cl	4695
+FC(F)(F)c1nc(-c2cc(C(O)=O)ccc2)no1	9161
+FC(F)(F)C(=O)N1Cc2c(CC1)cc(cc2)OCC	520
+FC(F)(F)c1[nH]c2C(NC(=O)N(c2n1)CCCCC)=O	9162
+FC(F)(F)C(=O)Nc1c(Br)nc(cc1)-c2cc3cnn(c3cc2)C	9163
+FC(F)(F)C(Nc1ccc2nc(C)oc2c1)=O	759
+FC(F)(F)C(=O)Nc1ccc(OC)cc1Br	759
+FC(F)(F)C(OC1CCC(CC1)C2CCC(CC2)C3OCC(CO3)CCCC)=O	4352
+FC(F)(F)C(=O)N1c2c(cc(Br)cc2)N(CC1C)S(=O)(=O)c3ccc(cc3)C	1326
+FC(F)(F)C(=O)N(CCC)c1c([N+](=O)[O-])cc(F)c([N+]([O-])=O)c1	1326
+[O-][N+]1=CC=C2C(C3(C(=O)N(CCCCC)c4ccccc34)CO2)C1=O	9164
+FC(F)(F)C(c1c[nH]c2cc(ccc12)[N+](=O)[O-])=O	531
+FC(F)(F)C(c1cn(c2cc([N+](=O)[O-])ccc12)C)=O	531
+FC(F)(F)C(NCCc1cccc([N+]([O-])=O)c1)=O	659
+FC(F)(F)C(=O)c1c[nH]c2cccc(Br)c12	531
+FC(F)(F)C(=O)c1c[nH]c2cccc(Cl)c12	531
+FC(F)(F)C(c1c[nH]c2c1c(F)ccc2Br)=O	531
+FC(F)(F)C(c1c(C)[nH]c2c1ccc(c2)OC)=O	531
+FC(F)(F)C(=O)c1cn(CCOC)c2c(F)ccc(C)c12	531
+FC(F)(F)C(N(c1c(C)c(Oc2c(cc(cc2C)C)C)nc(C)c1)CC)=O	1326
+FC(F)(F)C(Nc1c2c(ccc(c2)C(=O)c3cc(F)cc(c3)F)[nH]n1)=O	9165
+FC(F)(F)C(=O)Nc1cccc(c1)C#C	759
+FC(F)(F)C(Nc1cc(Oc2c(cc([N+]([O-])=O)cc2)C#N)c(cc1F)Cl)=O	759
+FC(F)(F)C(=O)NCCc1c(c(ccc1)Br)CC	659
+FC(F)(F)C(c1c[nH]c2cc(ccc12)Br)=O	531
+FC(F)(F)C(N(CCOc1c(N)c([N+](=O)[O-])ccc1)CCCc2c3c(cccc3)[nH]c2)=O	520
+FC(F)(F)C(=O)Nc1c(c([N+]([O-])=O)c(cc1)OC)C	759
+FC(F)(F)C(Nc1c(c(c(OC)cc1)[N+](=O)[O-])CC)=O	759
+FC(F)(F)C(N1CCc2c1cc(cc2)[N+]([O-])=O)=O	1326
+FC(F)(F)C(=O)NC(CO)c1ccccc1	659
+FC(F)(F)C(NC(C(Oc1cc2c(n(-c3ccc(cc3)F)nc2)cc1C)c4ccccc4)C)=O	659
+FC(F)(F)C(NCCc1ccn(c1)S(=O)(=O)c2ccccc2)=O	659
+FC(F)(F)c1nc(-c2ccc(cc2)CC(=O)OC)no1	9166
+FC(F)(F)C(=O)N1CCC(CC1)c2ccc(cc2)C(=O)O	520
+FC(F)(F)C(Nc1ccc(cc1)CCO)=O	759
+FC(F)(F)C(N(c1ccc(cc1)O)CCCCBr)=O	1326
+FC(F)(F)C(N(C)C1CN(CC1)c2ccc(cc2)[N+]([O-])=O)=O	520
+FC(F)(F)C(Nc1cc(ccc1)Oc2ccc(cc2)[N+]([O-])=O)=O	759
+FC(F)(F)C(=O)NC1CCCc2c1cc(cc2)F	659
+FC(F)(F)C(Nc1ccccc1C#N)=O	759
+FC(F)(F)C(=O)NCC1CCC(C)(C)CN1Cc2ccccc2	659
+FC(F)(F)C(=O)Nc1cc2ccnn2cc1	759
+FC(F)(F)C(=O)NNc1nccnc1Cl	9167
+FC(F)(F)C(CC(=O)c1cc(F)c(c(F)c1)SC)=O	1219
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(=O)OCC)c1	9168
+FC(F)(F)C(=O)NCC1OCCNC1	605
+FC(F)(F)C(=O)C(C#N)c1cc2OCOc2c(Cl)c1	9169
+FC(F)(F)C(=O)NC1C2N(c3cc(c(F)cc3Oc4cc(ccc24)F)Br)CCC1	605
+FC(F)(F)C(=O)NCCC(O)c1cc(ccc1)Br	605
+FC(F)(F)C(=O)CC(=O)c1cc(Br)ccc1	1219
+FC(F)(F)C(c1ccc(Br)cc1-n2ccc(n2)C)=O	9170
+FC(F)(F)C(=O)CC(=O)c1ccc(cc1)OC	1219
+FC(F)(F)C(NC(C(O)c1ccc(cc1)O)C)=O	605
+FC(F)(F)C(CC(=O)c1ccc(cc1)-c2cocn2)=O	1219
+FC(F)(F)C(=O)CC(c1ccc(cc1)C)=O	1219
+FC(F)(F)C(CC(c1ccc(cc1)CN=[N+]=[N-])=O)=O	1219
+FC(F)(F)C(NC1Cc2ccccc2C1)=O	605
+Fc1cc(cc(F)c1)C(C(O)c2cc(C)c(cc2)OC(F)F)=O	4696
+Fc1cc(cc(F)c1)C(C(c2ccc(cc2)OC(F)F)O)=O	4696
+CC(C)n1c2cc(OC)ccc2c(C(=O)O)c1	827
+FC(F)(F)C(=O)c1cn(CCOC(F)(F)F)c2cccc(Br)c12	9171
+FC(F)(F)Cn1c2cccc(c2c(C(=O)C(F)(F)F)c1)Cl	9172
+FC(F)(F)C(O)(c1cc(C(=O)OCC)n(CC=C)c1)c2ccc3c(c2)cnn3-c4ccc(cc4)F	9173
+c1(c2c(cccc2Cl)n(CC3CCCO3)c1)C(=O)O	827
+c1(c2c(n(CCOC)c1)cccc2Cl)C(=O)O	827
+CC(C)n1cc(c2ccc(C)cc12)C(=O)O	827
+FC(F)(F)c1scc(-c2ccccc2O)n1	9174
+FC(F)(F)C(O)(CC)c1oc(nn1)N	1517
+FC(F)(F)C(c1nnc(N)o1)(O)C	1517
+FC(F)(F)C(C(=O)OCC)(CC(c1cccc(c1OC)F)CCC)O	191
+FC(F)(F)C(C=O)(CC(c1cccc(F)c1OC)CCC)O	578
+FC(F)(F)c1nc2ccc(I)nn2c1C	4697
+FC(F)(F)c1c(n2nc(ccc2n1)Cl)C	4697
+FC(F)(F)C(=O)C(C)(C)C(c1cc2c(cc1)n(-c3ccc(cc3)F)nc2)c4ccccc4	3049
+FC(F)(F)c1nc(sc1C(=O)OCC)C	9175
+FC(F)(F)C(C(=O)NN)(O)C	561
+FC(F)(F)C(C(=O)NN)(CC)O	743
+FC(F)(F)C(C(c1c(c(Cl)c(cc1)Oc2ccc(cc2)C(=O)OC)Cl)C)(O)C=3C=CC(N(C)C=3)=O	472
+FC(F)(F)C(O)(C(c1cc(O)ccc1Cl)C)c2ccc3c(N(C)C(=O)CO3)c2	5
+FC(F)(F)C(c1cc(C)c(c(c1)C)C#N)(O)C(c2c(Cl)cc(cc2)Oc3ccc(cn3)C(=O)OC)C	136
+FC(F)(F)C(O)(C(Nc1ccc(C(=O)c2ccccc2)s1)=O)C	1477
+FC(F)(F)C(O)(C(Nc1ccc(c(OC)c1)S(=O)(=O)c2ccncc2)=O)C	33
+FC(F)(F)C(C)(C)C(N)=S	199
+FC(F)(F)C(C)(C)NC(c1cc(CCl)ccc1)=O	93
+FC(F)(F)C(C)(C)NC(=O)c1cc(ccc1)CN2CCNCC2	2
+FC(F)(F)C(C)(C)NC(=O)c1cc(ccc1)CN2CCN(CC2)C(=O)c3cc(F)c(N)cc3	30
+FC(F)(F)C(C)(C)c1c(cc(cc1F)C2C(C(O)=O)C2)F	3
+FC(F)(F)C(C)(C)c1cc(ccc1O)Cl	5
+FC(F)(F)C(C)(C)c1ccc(cc1)-c2noc(C3=CN(Cc4cnc(cc4)Cl)C(=O)C=C3)n2	9176
+FC(F)(F)C(C)(C)c1ccc(cc1)-c2noc(C3=CN(C(=O)C=C3)Cc4cnc(NC)cc4)n2	70
+FC(F)(F)C(C)(C1CCC(CC1)N)O	316
+FC(F)(F)C(C1CCC(CC1)O)(O)C	2391
+FC(F)(F)C(O)(C)c1ccc(cc1)N2C(COCc3ccccc3)CN(S(=O)(=O)c4sccc4)CC2	79
+FC(F)(F)C(c1ccc(cc1)CN)(O)C	107
+FC(F)(F)C(=Cc1ccc(C(=O)OCC)c(c1)C)C	9177
+FC(F)(F)C(CCC#N)C	300
+FC(F)(F)C(C)NS(=O)(=O)c1cn(C)c(c1)C(Nc2ccc(F)c(c2)Cl)=O	2337
+FC(F)(F)C(C)Oc1c(cc(S(=O)(=O)C)cc1)C(=O)N2CCN(CC2)c3sc(C(F)(F)F)cn3	30
+FC(F)(F)C(C)Oc1c(C2CCC2)cnc(C(NC(c3noc(C)n3)(CS(=O)(=O)C)C)=O)c1	81
+FC(F)(F)C(C1=CC(C(=CN1C)O)=O)O	9178
+FC(F)(F)c1c2c(n[nH]1)CCCC2=O	9179
+FC(F)(F)C(O)C1CCC(CC1)N	273
+FC(F)(F)C(OCC)C1CCC(CC1)Nc2ncnc(c2Cl)CC	3848
+FC(F)(F)C(C)(O)C1CCC(CC1)=O	86
+FC(F)(F)C(C=Cc1ccc(CNCc2ccccn2)c(C(F)(F)F)c1)c3cc(Cl)c(c(c3)Cl)Cl	294
+FC(F)(F)C(C=Cc1ccc(cc1)OCC(O)=O)=O	32
+FC(F)(F)C(O)(CC(C)(C)c1c(OC)ccc(F)c1)CNc2c3c(ccc2)nc(cc3)C(NC)=O	9180
+FC(F)(F)C1(O)C(Oc2c(cccc2)C1)Nc3cc(F)cc4nc(C)ncc34	9181
+FC(F)(F)C(C=Nc1cc(cc2c1cnc(C)n2)F)(CC(c3cccc(c3OC)F)CCC)O	2253
+FC(F)(F)c1cc(N)n(n1)-c2ccccc2	9182
+FC(F)(F)C(O)(C(OCC)=O)CC(C)(C)c1cc(F)ccc1OC	3995
+FC(F)(F)c1nn(-c2ccc(cc2)F)c(-c3cc(F)c(c(F)c3)SC)c1	2251
+FC(F)(F)c1nn(c(-c2cc(c(cc2)-c3occc3)C)c1)-c4ccc(cc4)S(=O)(=O)N	2251
+FC(F)(F)C(=CC(c1c2CCCc2c(C(=O)OC)s1)=O)c3cc(Cl)c(c(c3)Cl)F	4698
+FC(F)(F)C(O)(C=O)CC(C)(C)Cc1cccc(Cl)c1	578
+FC(F)(F)C(O)(C=O)CC(C)(C)c1cc(F)ccc1OC	24
+FC(F)(F)C(CC(C)(C)c1c(OC)ccc(F)c1)(CNC(=O)c2cnn(c2N)-c3ccc(cc3F)F)O	597
+FC(F)(F)C(O)(CC(C)(C)c1ccccn1)Cc2cc3ccccc3[nH]2	9183
+FC(F)(F)c1n[nH]c(c1)-c2ccc(cc2)Br	9184
+FC(F)(F)c1nn(-c2cc(F)c(S(=O)(=O)C)cc2)c(-c3ccc(cc3)Br)c1	2251
+FC(F)(F)c1cc(n(n1)-c2cnc(cc2)S(=O)(=O)N)-c3ccc(cc3)Br	9185
+FC(F)(F)C1(CC(=NO1)c2ccc(cc2)CN=[N+]=[N-])O	9186
+FC(F)(F)C(CC1(c2cc(SC)ccc2OCC1)C)=O	3049
+FC(F)(F)C(CC1CCc2cc([N+](=O)[O-])ccc2O1)OCc3ccccc3	149
+FC(F)(F)C(CC1CCc2cc(N)ccc2O1)OCc3ccccc3	0
+FC(F)(F)C(CC1CCc2c(O1)ccc([N+](=O)[O-])c2)O	31
+FC(F)(F)C(C(=O)O)(F)CCCCCCCC	460
+FC(F)(F)C(C)CCOS(=O)(=O)C	7
+FC(F)(F)C(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)(O)CN	597
+FC(F)(F)C(CNC(=O)c1cnn(-c2ccc(cc2)F)c1N)(CO)O	597
+FC(F)(F)C(O)CN1C(=NN(C1=O)CC(O)=O)c2ccc(cc2)Cl	4
+FC(F)(F)C(CN1C(=NN(Cc2sc(-c3c(Cl)cccc3)cn2)C1=O)c4ccc(cc4)Cl)O	9187
+FC(F)(F)C(O)(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)COS(=O)(=O)c3ccc(cc3)C	36
+FC(F)(F)C(O)(CNC(c1c(F)cccc1OC(F)F)=O)CNC(c2cnn(-c3ccc(cc3)F)c2N)=O	14
+FC(F)(F)C(CNC(=O)c1c(Cl)cccc1Br)(CNC(c2cnn(-c3ccc(cc3)F)c2N)=O)O	93
+FC(F)(F)C(O)(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)CNC(=O)c3c(cccc3Cl)Cl	93
+FC(F)(F)C(CN)(CO)O	273
+FC(F)(F)C(O)(CNc1cc(C)cc2n(ncc12)-c3ccc(cc3)F)CN(CCC)C(=O)c4ccccc4	30
+FC(F)(F)C(CN(C(=O)c1cccs1)CCC)(O)CNc2cc(C)cc3n(ncc23)-c4ccccc4	867
+FC(F)(F)C(CN(CC)C(c1ccccc1)=O)(O)CNc2c3cnn(-c4ccccc4)c3cc(C)c2	30
+FC(F)(F)C(CNCc1ccccc1)(O)CO	9188
+FC(F)(F)C(COC1CCN(CC1)C(OCc2ccccc2)=O)OS(=O)(=O)C	7
+FC(F)(F)C(O)(C=Nc1c2cnc(C)nc2cc(c1)F)Cc3ccccc3OC	2253
+FC(F)(F)C(=CC1C(C(OCc2ccc(c(c2)Cc3ccccc3)F)=O)C1(C)C)Cl	27
+FC(F)(F)C(F)(F)C1=NN(c2ccc(F)cc2F)C(c3nccc(Br)c3)C1	4699
+FC(F)(F)C(F)(F)C1=NN(C(C1)c2ncc(Br)cc2)c3c(Cl)cccc3	4699
+FC(F)(F)C(F)(F)C(F)(F)c1c(N)c([nH]n1)C	209
+FC(F)(F)C(F)(F)c1nc2c([nH]1)cccc2	2712
+FC(F)(F)C(F)(F)c1ccc2OC(CF)(CF)C=C(C(=O)OCC)c2c1	4700
+FC(F)(F)C(F)(F)c1ccc(cc1)C#N	4700
+FC(F)(F)C(F)(F)C1=NN(C(C1)c2ccc(cn2)-c3cc(C(=O)C)ccc3)c4c(Cl)cccc4	89
+FC(F)(F)C(F)(F)C1=NN(C(c2nccc(-c3cc(SC)ccc3)c2)C1)c4c(cc(F)cc4)F	835
+FC(F)(F)C(F)(F)CCC=CCCCNC	284
+FC(F)(F)C(F)(F)CCCCCCCNC	460
+FC(F)(F)C(F)(F)CCCCCC(CCCCCCC=C)C(=O)OCC	9189
+FC(F)(F)C(F)(F)CCCCCOS(=O)(=O)C	7
+FC(F)(F)C(F)(F)CCCCCI	572
+FC(F)(F)C(F)(F)CCCCC(C(=O)OCC)(C(=O)OCC)CCCCCCC=C	9190
+FC(F)(F)C(F)(F)CCCCI	572
+FC(F)(F)C(F)(F)CNC(=O)OC(C)C(NC1C(Nc2c(cccc2)-c3c1cccc3)=O)=O	9191
+FC(F)(F)C(F)(F)C(C=Cc1ccc(Br)cn1)=O	2364
+FC(F)(F)C(F)(F)C(C=Cc1cc(-c2ccc(cc2)SC)ccc1)=O	2364
+FC(F)(F)C(F)(F)c1ccc(cc1)C(NCCc2ccc(cc2)F)=O	14
+FC(F)(F)C(F)(F)c1n(CCOc2ccc(cc2)CC(C(=O)O)OCC)c3c(cccc3)n1	3
+FC(F)(F)C(F)(F)c1n(CCOc2ccc(cc2)CC(C(OCC)=O)OCC)c3c(cccc3)n1	656
+FC(F)(F)C(N(C1CCCCC1)Cc2cnc(cc2)CN)=O	421
+FC(F)(F)C(N(C1CCCCC1)Cc2ccc(C#N)nc2)=O	577
+FC(F)(F)C(=O)N(C1CCN(CC1)C(=O)OC2(CC2)C)C3CC3	1011
+FC(F)(F)C(=O)N(c1cc2OCC(CC(OC)=O)c2cc1)C3c4cccc(Nc5c(ccc(c5)F)[N+]([O-])=O)c4CC3	230
+CC(C)(C)OC(N1CCC(CC1)(CNC)c2ccc(cc2)I)=O	318
+FC(F)(F)C(=O)N(CC1CCCN(CCN2c3c(ncc(c3)F)C=CC2=O)C1)Cc4cc5c(cn4)OCCO5	61
+c1cc(ccc1NCCCCC#N)O	1761
+FC(F)(F)C(N(CCCc1c2c(cccc2)[nH]c1)CCOc3cccc(N)c3N)=O	0
+FC(F)(F)C(N(c1ccc(CCC(OCC)=O)c(F)c1)Cc2c(C)c3c(CCCN3CCOS(=O)(=O)C)cc2)=O	7
+FC(F)(F)C(N(CCCCC#N)c1ccc(cc1)O)=O	830
+FC(F)(F)C(N=S(=O)(c1ccc(cc1)[N+]([O-])=O)C2CC2)=O	9192
+FC(F)(F)C(C)NS(=O)(=O)c1sc(c(C(=O)Nc2cc(F)c(cc2)F)c1)C	1427
+FC(F)(F)C(C)NS(=O)(=O)c1cc(C(OC)=O)n(C)c1	1362
+FC(F)(F)C(C)NC(C(c1cn(c(c1)C(Nc2cc(c(F)cc2)C)=O)C)=O)=O	2754
+FC(F)(F)C(C)Nc1nc(nc(Cl)c1-c2c(cc(cc2F)F)F)-c3ccccn3	40
+FC(F)(F)C(NC(c1c2nc(N3C(CCC3CO)c4cc(cnc4)F)ccn2nc1)=O)C	1339
+FC(F)(F)C(NC(=S)NC(c1ccccc1)=O)C	1993
+FC(F)(F)C(N1C(=O)c2c(C(=C1)Br)n[nH]c2N)C3CC3	9193
+C1c2c(C(C)CNC1C)cc(c(OCC=C)c2)Br	318
+C1CC2CC(CC1N2)C3c4c(Oc5c3cccc5)cc(cc4)-c6[nH]nnn6	318
+FC(F)(F)C(N1C2CC(CC1CC2)C3c4ccccc4Oc5cc(C#N)ccc35)=O	1926
+FC(F)(F)C(N1C2CC(CC1CC2)C3c4ccc(cc4Oc5c3cccc5)-c6[nH]nnn6)=O	1174
+FC(F)(F)C(=O)N1C(Cc2c(C(C)C1)cc(Br)c(O)c2)C	5
+FC(F)(F)C(N1CCc2nc(O)c(cc2C(C)C1)I)=O	583
+FC(F)(F)C(=O)N1CC(C1)Cc2cc(Br)ccc2OCc3oc(cc3)C(F)(F)F	4701
+FC(F)(F)C(=O)N1CC2(CCN(CC2)Cc3cccc(CCO)c3F)OCC1	48
+O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])C3CNCC2C3	318
+FC(F)(F)C(N1CC2c3ccc(C(C)=O)cc3C(C1)C2)=O	94
+FC(F)(F)C(=O)N1CCC(CC1)C2=NCCc3cc(OC)ccc23	1120
+C1CNCCC1C(c2ccc(cc2)Br)=O	318
+CC(C)(C)OC(N(C1CCNCC1)Cc2ccc3c(OCCO3)c2)=O	318
+FC(F)(F)C(=O)N1CCC(CC1)N(Cc2ccc(cc2)Cl)C(=O)Cc3ccc(cc3)OC	58
+FC(F)(F)C(c1ccc2n(c(-c3nc4c(cc3)cc(F)c(OCC)c4)nn2)c1)N5CC(CC5)N	12
+FC(F)(F)C(N1CCC2(C)C(C)(C)C1Cc3c(O)c([N+]([O-])=O)ccc23)=O	77
+FC(F)(F)C(=O)N1CCCC(c2c(c(ccc2)N)NC(=O)OCC)C1	0
+FC(F)(F)C(=O)N1CCNCC1	2
+CC(C)(C)C(NCCC#Cc1c2CCNCCc2ccc1Cl)=O	318
+FC(F)(F)C(N1CCc2ccc(cc2CC1)N)=O	0
+c1(C(=O)N)ccc(Oc2cc3CCNCCc3cc2)nc1	318
+FC(F)(F)C(N1c2c(ccc(N)c2)CC1)=O	0
+c1ccccc1CN2CCN(CC2)CCC(Nc3ccc4CCNCCc4c3)=O	318
+FC(F)(F)C(=O)N1CCc2ccc(O)cc2CC1	5
+C1(C)CNCCc2nc(O)c(I)cc12	318
+C1CC1C(=O)N2c3cc(Br)ccc3NC(C)C2	1761
+C(S(=N)(C)=O)c1cccc([N+]([O-])=O)c1	4690
+FC(F)(F)C(N=S(c1ccc(cc1)N)(=O)C2CC2)=O	0
+FC(F)(F)c1cnc(nc1OC(C)C(C)OCc2ccccc2)Nc3ccc(cc3)S(=NC(C(F)(F)F)=O)(C4CC4)=O	55
+FC(F)(F)C(NC(=O)C(N1C(C)(C)C(CC1)C(=O)O)=O)C	3
+FC(F)(F)C(NC(=O)C(N1CCC(C1(C)C)C(Nc2cc(c(F)c(c2)F)Cl)=O)=O)C	33
+FC(F)(F)C(NC(N)=S)C	401
+FC(F)(F)C(=O)NC(C(=O)c1cc(ccc1OC)OC)C	94
+FC(F)(F)C(=O)NC(C(c1ccc(c(N)c1)OCc2ccccc2)O)C	0
+FC(F)(F)C(NC(C(c1ccc(O)c([N+]([O-])=O)c1)O)C)=O	77
+FC(F)(F)C(NC(C(O)c1ccc(c([N+]([O-])=O)c1)OCc2ccccc2)C)=O	22
+FC(F)(F)C(NC(C)Cc1cc(c(C(=O)c2ccccc2)cc1OC)OC)=O	222
+FC(F)(F)C(=O)NC(C)Cc1c(OC)cc(c(c1)OC)Cc2ccccc2	394
+FC(F)(F)C(NC(C)Cc1ccc(cc1)Sc2ccc(cc2)Oc3cc(ccc3)C(=O)OCC)=O	472
+FC(F)(F)C(NC(C)Cc1ccc(cc1)Sc2ccc(cc2)O)=O	5
+FC(F)(F)C(NC(C(O)=O)CCC)c1ccc(cc1)Br	2773
+FC(F)(F)C(=O)NC(C)Cc1ccc(cc1)I	184
+FC(F)(F)C(Nc1scc(-c2ccc(cc2)C#N)n1)C	354
+FC(F)(F)C(NC1CCCN2c3c(cc(c(Cl)c3)[N+](=O)[O-])Oc4ccccc4C12)=O	77
+FC(F)(F)C(NC1C2N(CCC1)c3c(cc(NS(=O)(=O)c4ccccc4)c(Cl)c3)Oc5ccccc25)=O	69
+FC(F)(F)C(NC1C2c3ccccc3Oc4c(cc(c(N)c4)Cl)N2CCC1)=O	0
+FC(F)(F)C(=O)NC1Cc2cc(c(cc2C1)CC)C(C)=O	94
+FC(F)(F)C(NC1Cc2c(C1)ccc(c2)CC)=O	165
+FC(F)(F)C(NC1Cc2ccc(C(C)=O)cc2C1)=O	94
+FC(F)(F)C(=O)NCC#Cc1cc(ccc1)[N+]([O-])=O	197
+FC(F)(F)C(=O)NCC1N(C(c2nc(C)sc2-c3cc(C)ccc3)=O)CC4C1CC(C)C4	837
+FC(F)(F)C(NCC1N(C(=O)c2c(sc(N)n2)-c3cccc(C)c3)C4C(C1)C4)=O	837
+FC(F)(F)C(NCC1CC2CC2N1)=O	2
+C1N(CCc2ccnc3c2nc(OC)cc3)CCCC1CN	399
+O1C(CN)CN(CC1)Cc2ccc(c(c2)Cl)Cl	399
+Nc1nc(C(=O)N2C(CC3CC23)CN)c(-c4cc(C)ccc4)s1	399
+c1cccc2c1N=C(N3CC(N(CCOCCO)CC3)CN)c4ccccc4S2	399
+FC(F)(F)C(NCC1N(CCN(C1)C=2c3ccccc3Sc4c(cccc4)N=2)CCOCCO)=O	9194
+FC(F)(F)C(NCC1N(CCNC1)CCOCCO)=O	2
+FC(F)(F)C(=O)NCC1N(C(c2c(sc(N)n2)-c3cc(F)ccc3)=O)C4CCC1C4	837
+FC(F)(F)C(=O)NCCCCN1C2CCC1CN(C2)c3ccc(cc3)Cl	123
+CC(C)OC(=O)N(CCCN)C	399
+CC(C)(C)OC(=O)N(C1CCN(C1)c2c3nc(ccc3ncc2)OC)CCN	399
+FC(F)(F)C(NCCNC(c1cccc(c1)OCC(N=[N+]=[N-])OCCOCC(OCC)=O)=O)=O	14
+FC(F)(F)C(NCCc1cc(ccc1)NN)=O	427
+FC(F)(F)C(NCCc1cccc(N)c1)=O	0
+FC(F)(F)C(=O)NCc1cc(C(=O)O)c(Cl)cc1F	3457
+N=1C(N(NC=1c2cc(ccc2Cl)CN)c3ccc(c(Cl)c3)F)=O	4692
+C1COCCC1C(=O)c2cc(N)c(C(=O)OC)s2	9195
+FC(F)(F)C(Nc1c(CC)c(N)c(O)cc1)=O	0
+FC(F)(F)C(Nc1c(CC)c([N+](=O)[O-])c(cc1)O)=O	5
+C1CC1C(=O)Nc2sc3c(n2)ccc(Oc4c(Cl)cc(F)c(c4)N)c3C#N	630
+FC(F)(F)C(Nc1cc(c(cc1F)Cl)Oc2ccc(cc2C#N)N)=O	0
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3c(nc(N)s3)cc2)c(Cl)cc1F)=O	821
+FC(F)(F)C(=O)Nc1cccc(c1)-c2c(-c3ccnc(n3)Nc4cc(ccc4)F)c5n(cccc5)n2	55
+FC(F)(F)C(=O)Nc1cc(Oc2cc3sc(N)nc3cc2)ccc1	821
+FC(F)(F)C(Nc1cc(ccc1)Oc2ccc(cc2)N)=O	0
+FC(F)(F)C(Nc1cccc([N+]([O-])=O)c1)C(=O)O	4
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN	45
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN2C(c3c(C2=O)cccc3)=O	332
+FC(F)(F)C(Nc1c(cc(cc1)NCc2ccc(Cl)s2)Cl)=O	9196
+CN(C)C(=O)CCCc1ccc(cc1)N	630
+FC(F)(F)C(Nc1ccc(cc1)CCOCOCc2ccccc2)=O	433
+c1cc(ccc1CCOCOCc2ccccc2)N	630
+Nc1ccc2c(nco2)c1CC	630
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CO	21
+c1(N)ccn2c(c(Cl)cn2)c1	630
+c1([nH]nc(N)c1)CC(Nc2cccc(c2)F)=O	4693
+FC(F)(F)C(Nc1scc(n1)-c2ccc(cc2)CN)C	107
+FC(F)(F)C(c1cn(nn1)Cc2cc3n(c(c(C(OCC)=O)c3)-c4ccc(cc4)F)cc2)(O)CC	642
+FC(F)(F)C(C(c1c(c(c(cc1)O)Cl)Cl)C)(O)C=2C=CC(N(C)C=2)=O	5
+FC(F)(F)C(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)c(O)c1)(O)C	5
+FC(F)(F)C(OCc1ccccc1)(CC(C)(C)c2c(ccc(F)c2)OC)C(OCC)=O	1907
+FC(F)(F)C(O)(C=O)CC(C)(C)c1c(c(c(cc1)Cl)F)OC	578
+FC(F)(F)C(C(c1cc(Oc2ccc(C(OC)=O)c(c2)Cl)ccc1Cl)C)(c3cc4N(C(=O)COc4cc3)C)O	472
+FC(F)(F)C(C(C)c1cc(Oc2cc(CC#N)ccc2)ccc1Cl)(c3cc4N(C(=O)COc4cc3)C)O	472
+FC(F)(F)C(O)(C)c1ccc(cc1)N2CCN(CC2COS(=O)(=O)C)S(=O)(=O)c3sccc3	7
+FC(F)(F)C(O)(C)c1ccc(cc1)N2C(CN(S(=O)(=O)c3sccc3)CC2)CO	118
+FC(F)(F)C(O)(C)c1ccc(cc1)N2CCN(S(=O)(=O)c3sccc3)CC2CNC	285
+FC(F)(F)C(O)(C)c1ccc(cc1)N2C(CN(S(=O)(=O)c3sccc3)CC2)CN(Cc4ncn(c4)C)C	879
+FC(F)(F)C(C=Nc1c2cnc(C)nc2cc(c1)F)(O)Cc3ccccc3O	5
+FC(F)(F)C1(O)C(Oc2c(cccc2)C1)Nc3cc(F)cc4nc(C)ncc34	9197
+FC(F)(F)C(C=Nc1c2c(ccc1)c(ncc2)O)(O)CC(C)(C)c3c(c(c(cc3)Cl)F)OC	2253
+FC(F)(F)C(C=Nc1c2c(ccc1)nc(cc2)C(NC)=O)(CC(C)(C)c3c(OC)ccc(F)c3)O	2253
+FC(F)(F)C(O)(CC#Cc1c(cc(C#N)cc1N)C)CC2(CCOc3ccc(S(=O)(=O)C)cc23)C	0
+FC(F)(F)C(CC1(CCOc2ccc(S(=O)(=O)C)cc12)C)(Cc3cc4c(cc(C#N)cc4[nH]3)C)O	2112
+FC(F)(F)C(=CC(=O)c1cc2c(s1)cccc2Cl)c3cc(Cl)cc(Cl)c3	4698
+FC(F)(F)C(CC)(O)c1nnc(o1)NCc2ccn3c(cc(C(OCC)=O)c3-c4ccc(cc4)F)c2	4702
+FC(F)(F)C(CC)(O)c1nnc(NCc2cc3nc(c(n3cc2)-c4ccccc4)C(=O)OCC)o1	4702
+FC(F)(F)C(O)(CC#Cc1c(C)cc(cc1[N+]([O-])=O)C#N)CC2(CCOc3ccc(S(=O)(=O)C)cc23)C	1247
+FC(F)(F)C(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)(O)CN	273
+FC(F)(F)C(Cc1c(OC)cccc1)(C=O)O	9198
+FC(F)(F)C(c1ccc2c(c1)cnn2-c3ccc(cc3)F)(c4cn(c(C(=O)O)c4)CC=C)O	6
+FC(F)(F)C(O)(c1cn(CC=O)c2c1ncnc2Cl)c3cc4cnn(c4cc3)-c5ccc(cc5)F	1156
+FC(F)(F)C(C)(O)c1ccc(cc1)O	16
+FC(F)(F)C(O)(c1cc2cnn(c2cc1)-c3ccc(cc3)F)c4cn(c5c4ncnc5Cl)CCO	237
+FC(F)(F)c1cc(ccc1O)C=O	502
+FC(F)(F)c1cc(Cl)ccc1-c2c(cc3[nH]c(C(F)(F)F)nc3c2)Cl	1640
+FC(F)(F)c1n(nnn1)-c2ccc(O)c(C=O)c2	502
+FC(F)(F)c1nc2c(OC)cccc2[nH]1	1640
+c1(cccc(c1O)Cc2c(c(OC)c(OC)c(c2OC)OC)C)C=O	502
+Fc1cc(cc(F)c1O)C=O	502
+O=Cc1cc(C)c(O)c2c1CCC2	502
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2cc(C=O)c(cc2)OC	502
+c1cc(ccc1OC)CC(NC(=O)NCc2ccon2)c3[nH]c4ccccc4n3	9199
+c1cc(ccc1)NC2(CCN(CC2)Cc3ccccc3)C(N)=O	9200
+c1cc(ccc1C(=O)N)-n2nc(-c3ccc(cc3)C(=O)OC)cc2I	9201
+O=Cc1cc(CCC(=O)O)ccc1O	502
+Clc1cc(cc(Cl)c1Oc2cc(C=O)c(cc2)OC)N3C(=O)NC(C=N3)=O	502
+FC(F)(F)c1nc2c(nc(Cl)nc2Cl)n1C	9202
+FC(F)(F)C(C)Oc1c(C(O)=O)cc(S(=O)(=O)C)cc1	556
+FC(F)(F)C(Oc1nncc2cc(Br)ccc12)C	485
+FC(F)(F)C(OC(=O)Oc1ccc(cc1)[N+]([O-])=O)C	405
+FC(F)(F)C(C=1N(C(=C(C(=O)C=1)OCc2ccccc2)CO)C)O	9203
+FC(F)(F)C(C1CCC(CC1)Nc2ncnc(c2Cl)CC)O	40
+FC(F)(F)C(CC(C)(C)c1ccccn1)=O	3049
+FC(F)(F)C1CC(c2nc(ccc2F)Br)(CF)NC(=NC(c3ccccc3)=O)O1	9204
+FC(F)(F)C(c1c(-n2ccc(C)n2)cc(Cl)cc1)Oc3cc(nc(N)n3)Cl	145
+FC(F)(F)C(c1c(cccc1)-c2cc(sc2)C)Oc3cc(nc(N)n3)Cl	145
+FC(F)(F)C(Oc1cc(nc(N)n1)Cl)c2c(cccc2)-c3cscc3C	145
+FC(F)(F)C(c1ccccc1-n2nc(cc2C)C)Oc3nc(N)nc(Cl)c3	145
+FC(F)(F)C(c1ccc(cc1)-c2ccncc2)Oc3cc(nc(N)n3)Cl	145
+FC(F)(F)C(c1ccc(cc1)NN)O	427
+FC(F)(F)C(O)c1ccc(cc1)N	0
+FC(F)(F)C(c1c(-n2ccnc2)cccc1)Oc3nc(N)nc(Cl)c3	145
+FC(F)(F)C(O)c1c(N)cccc1	0
+FC(F)(F)C(c1cc(ncc1)C(N)=O)OC	9205
+FC(F)(F)C(Oc1cc(N2CCC3(CC2)CCNC(C3)C(=O)O)nc(N)n1)c4c(-n5ccc(C)n5)cc(Cl)cc4	4
+FC(F)(F)C(c1c(cccc1)-c2cscc2C)Oc3nc(N)nc(-c4ccc(cc4)CC(C(=O)O)N)c3	198
+FC(F)(F)C(Oc1nncc2c1ccc(Nc3c(F)cc(F)cc3)c2)C	230
+FC(F)(F)C(c1c(-c2ccccc2)cc(cc1)S(=O)(=O)C)=O	2177
+FC(F)(F)C(Oc1cc(-c2ccc(cc2)CC(C(=O)O)N)nc(N)n1)c3c(cccc3)-c4cc(sc4)C	198
+FC(F)(F)C(=O)c1ccccc1NC(c2ccco2)=O	2177
+Cc1c(C(=O)O)c2ccc(cc2n1CC)OC	827
+[nH]1cc(c2ccc([N+]([O-])=O)cc12)C(=O)O	827
+Clc1cc2c(c[nH]c2cc1)C(=O)O	827
+FC(F)(F)C(C(c1ccc(O)cc1Cl)C)(c2cc(C)c(c(c2)C)C#N)O	5
+FC(F)(F)C(c1cc(C)c(c(c1)C)N)O	0
+FC(F)(F)C(C=Cc1cc(Cl)c(cc1OC)C(NCC(=O)NCC(F)(F)F)=O)c2cc(Cl)c(c(Cl)c2)Cl	1007
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2ccc(c3ccccc23)CN	45
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2cc3CCC(c3cc2)N	474
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2c3c(cccc3)c(cc2)CNC(=O)CC(F)(F)F	9
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3ccnc4c(Br)cccc34)C1	1757
+FC(F)(F)C1(ON=C(C1)c2cc(c(Cl)nc2)Cl)c3cc(Cl)cc(Cl)c3	9206
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3cccc(c3)[N+](=O)[O-]	1757
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c3c4ccncc4c(Br)cc3)=NO1	1757
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(cc3)C	1423
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(c4ccccc34)Br	1757
+FC(F)(F)C(O)(CC(c1cc2c(Cl)cccc2s1)=O)c3cc(Cl)cc(c3)Cl	3552
+FC(F)(F)C(c1cc2c(cc1F)OCC(=O)N2C)(O)C(c3c(Cl)cc(cc3)-c4cc(c(C(=O)OC)cc4)F)C	11
+FC(F)(F)C(c1ccc(cc1-n2nc(cc2)C)Br)O	9207
+FC(F)(F)C(c1ccc(cc1)-n2c(N)cc(n2)C)O	752
+FC(F)(F)C(c1c(-n2ccc(C)n2)cc(cc1)Br)Oc3cc(nc(N)n3)Cl	145
+FC(F)(F)C(c1ccc2OCC(=O)N(c2c1)C)(O)C(C)c3c(Cl)cc(Oc4ccc(C(=O)O)cn4)cc3	1
+FC(F)(F)C(c1ccc2c(N(C)C(=O)CO2)c1)(O)C(c3c(cc(O)cc3)Cl)C	5
+FC(F)(F)C(c1ccc2OCC(=O)N(c2c1)C)(O)C(C)c3c(Cl)cc(cc3)Oc4ncc(cc4)C(=O)OC	136
+FC(F)(F)C(C(C)c1ccc(-c2ccc(Cl)c(c2)C(OCC)=O)cc1Cl)(c3ccc4OCC(=O)N(c4c3)C)O	11
+FC(F)(F)C(=NO)c1ccccc1	9208
+CC(C)CCn1c2c(ccc(Cl)c2)c(c1)C(O)=O	827
+Clc1ccc2c(cn(CCC)c2c1)C(=O)O	827
+c1([N+]([O-])=O)ccc2c(cn(c2c1)C)C(=O)O	827
+FC(F)(F)C(c1cn(nn1)Cc2ccn3c(cc(C(O)=O)c3-c4ccc(cc4)F)c2)(O)CC	6
+FC(F)(F)C(n1c2c(nc1COC3OCCCC3)cnc(Nc4ccnc(n4)-c5cnn(S(=O)(=O)C6CC6)c5)c2)C	9209
+FC(F)(F)C(C)n1c(nc2cnc(Nc3ccnc(n3)-c4cnn(S(=O)(=O)C5CC5)c4)cc12)CO	168
+FC(F)(F)C1(CC(c2ccc(cc2)CNCc3ccc(cc3)SC)=NO1)O	42
+FC(F)(F)C1(CC(c2ccc(cc2)CNC(NCC(F)(F)F)=O)=NO1)c3cc(Cl)cc(Cl)c3	1957
+FC(F)(F)C1(CC(=NO1)c2ccc(cc2)CN)O	18
+FC(F)(F)C1(CC(C)(C)c2c(cccc2)C(O)=O)CO1	500
+FC(F)(F)C1(CC(C)(C)c2ccccc2C(=O)N)CO1	169
+FC(F)(F)C1(CC(=NO1)c2ccc(cc2)CN)c3cc(Cl)cc(Cl)c3	45
+FC(F)(F)C1(CC1)C(=O)NCc2cc(F)c(Cl)c(N)c2	0
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(Cl)c(Nc3nc4cc(c(cc4[nH]3)OCC(F)F)C(Nc5ccc(cc5)Br)=O)c2	9210
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(c(N=C=S)c2Cl)Cl	1381
+FC(F)(F)C1(CC1)C(=O)NCc2cc(Nc3[nH]c4c(n3)cc(C(OCC)=O)c(OCC(F)F)c4)c(cc2)Cl	1701
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(c(Nc3n(c4ccc(cc4n3)C(Nc5ccc(cc5)Br)=O)CCN(C)C)c2)Cl	1023
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(Cl)c(N)c2Cl	9
+FC(F)(F)C1(CC1)C(=O)NCc2cc(F)c(c(c2)[N+](=O)[O-])Cl	9
+FC(F)(F)C1(CC1)CN2CCC(CC2)c3cc4c(cnc(-c5ccc(cc5F)S(=O)(=O)C)c4)o3	123
+FC(F)(F)C1(CCC(CC1)(NC(Cc2cc(ccc2C)Br)=O)C(=O)OC)OC	726
+FC(F)(F)C1(CCC(CC1)(C(OC)=O)NC(Cc2cc(ccc2C)-c3ccc(cc3)Cl)=O)OC	726
+FC(F)(F)C1(CCC2(CC1)C(=C(C(=O)N2)c3c(ccc(c3)Br)C)O)OC	997
+FC(F)(F)C1(CCC(CC1)CO)O	21
+FC(F)(F)C1(CCC(CC1)CN2Cc3c(C2C(C)C)ccc(C(NCc4ccc(cc4)S(=O)(=O)CC)=O)c3)O	61
+FC(F)(F)C1(CCC(CC1)C=O)O	24
+FC(F)(F)C1(CCC(CC1)(C(O)=O)N)OC	4703
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)CCNC1	25
+FC(F)(F)C1(CCN(CC1)CC=Cc2ccc(cc2)C#Cc3ncc(cc3)-c4ccc(cc4)Cl)O	2613
+FC(F)(F)c1nc(n(-c2ccc(cc2)S(=O)(=O)C)c1)-c3ccc(cc3)C	3050
+FC(F)(F)c1nc(n(-c2ccc(cc2)S(=O)(=O)C)c1)-c3ccccc3	3050
+FC(F)(F)C1(CO1)CNc2c3c(cc(C)c2)n(-c4ccccc4)nc3	4704
+FC(F)(F)C1(c2cc(ccc2N(Cc3ccc(cc3)OC)C(N1)=O)Br)CN	157
+FC(F)(F)C1(Cc2cc(ccc2O1)-c3c(F)c(ccc3)N)c4cc(Cl)cc(Cl)c4	0
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)Oc3ccc(I)cc3C1	158
+FC(F)(F)c1nc(-c2ccc(c(Cl)c2)C)n(-c3ccc(cc3)S(=O)(=O)C)c1	3050
+FC(F)(F)C(O)(CNCc1ccccc1)CNC(c2cnn(-c3ccc(cc3)F)c2N)=O	122
+FC(F)(F)C1(ON=C(c2cnc(c(Cl)c2)C#N)C1)c3cc(Cl)cc(Cl)c3	577
+FC(F)(F)CNC(CNC(=O)c1sc(C2=NOC(C(F)(F)F)(C2)c3cc(Cl)c(c(Cl)c3)F)c4c1CCC4)=O	1816
+FC(F)(F)C1(ON=C(C1)c2sc(c3c2CCC3)C(O)=O)c4cc(Cl)c(c(Cl)c4)F	1
+FC(F)(F)C1(ON=C(C1)c2cc(c(nc2)CN)Cl)c3cc(Cl)cc(Cl)c3	421
+FC(F)(F)C1(CC2CCCc3c(cc4c(n(nc4)-c5ccc(cc5)F)c3)C2(C(=O)NC6CC6)CC1)O	4504
+FC(F)(F)C1(c2ccccc2-c3c1cc(cc3-c4cn(C(C)(C)C(=O)O)nc4)OCC(C)O)O	3
+FC(F)(F)C1(CNC(c2ccc(cc2)F)=O)NC(=O)Nc3ccc(Br)cc13	9211
+FC(F)(F)C1(c2cc(Cl)c(c(c2)Cl)Cl)CCN(C1)c3ccc(c(C)n3)C#N	9212
+FC(F)(F)C1(c2cc(Cl)c(c(c2)Cl)Cl)CCN(c3cccc(C)n3)C1	43
+FC(F)(F)C1(ON=C(C1)c2cccc(c2)N)c3cc(Cl)cc(Cl)c3	0
+FC(F)(F)C1(CC(=NO1)c2sc(C(O)=O)c3c2CCCC3)c4cc(Cl)cc(Cl)c4	1
+FC(F)(F)C1(CC(=NO1)c2ccnc3c2cccc3C#N)c4cc(Cl)cc(Cl)c4	2779
+FC(F)(F)C1(Cc2cc(ccc2O1)N)c3cc(Cl)cc(Cl)c3	0
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)Oc3c(cc(cc3)-c4cccc(N)c4)C1	134
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)CCN(c3cc(c(cc3)C(O)=O)[N+]([O-])=O)C1	1
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)CCN(c3cc([N+]([O-])=O)c(C(=O)OC)cc3)C1	34
+FC(F)(F)C1(c2c(N(C(=O)N1)Cc3ccc(cc3)OC)ccc(c2)Br)CNC(c4ccc(cc4)F)=O	14
+FC(F)(F)C1(c2ccccc2-c3c(cc(cc13)OCC(C)O)-c4cn(C(C)(C)C(N)=O)nc4)O	83
+FC(F)(F)C1=C(C(N(C(c2cc(-c3cc4[nH]c(cc4cc3)C(=O)O)ccc2)=C1)Cc5c(cc(cc5)C)C)=O)C#N	6
+FC(F)(F)c1cc(C#N)nc(c1)Cl	9213
+FC(F)(F)C1=CC(N(c2c(cc(Cl)c(OC)c2[N+](=O)[O-])F)C(=O)N1C)=O	4705
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2c(cc(c(c2N)[N+](=O)[O-])Cl)F	623
+FC(F)(F)C=1N(C(=O)N(C(=O)C=1)c2c(c(I)c(cc2F)Cl)OC)C	158
+FC(F)(F)C=1N(C(=O)N(C(=O)C=1)c2c(NC(c3c(F)cc(cc3)F)=O)c(OC)c(cc2F)Cl)C	50
+FC(F)(F)C1=CC(N(c2c(N)c(c(cc2F)Cl)C)C(N1C)=O)=O	0
+FC(F)(F)C1=CC(=O)N(c2c(cc(c3cc(C)oc23)Cl)F)C(N1C)=O	9214
+FC(F)(F)C1=CC(N(C(N1C)=O)c2c(F)cc(c3c2oc(C)c3C(=O)C)Cl)=O	2617
+FC(F)(F)C=1N(C)C(N(c2cc(c(cc2F)Cl)Oc3ccc(cc3)O)C(=O)C=1)=O	16
+FC(F)(F)C1=CC(N(c2nccn12)c3c(F)cc(Br)c([N+](=O)[O-])c3)=O	77
+FC(F)(F)C1=CC(=O)N(C(N1C)=O)c2c(F)cc(Cl)c(OC)c2N	0
+FC(F)(F)C1=CC(N(c2nccn12)c3cc(NS(=O)(=O)C)c(C#N)cc3F)=O	180
+FC(F)(F)C1=CC(=O)N(c2cc(Oc3ccc(cc3)OCc4ccccc4)c(cc2F)Cl)C(=O)N1C	1030
+FC(F)(F)C1=CC(N(c2cc(NS(=O)(=O)C)c(cc2F)Br)c3nccn13)=O	80
+FC(F)(F)C1=CC(N(c2cc(c(cc2F)Br)N)c3nccn13)=O	0
+FC(F)(F)C=1N(C)C(C(c2c(cc(Cl)c(N)c2)Cl)=NC=1)=O	0
+FC(F)(F)c1nn(c(OC(F)F)c1C)C(C)C	9215
+FC(F)(F)C1C(C(OCC)=O)=Cc2cc(C#N)ccc2O1	1308
+FC(F)(F)C1C(C(NC(NC(=O)c2ccccc2)=S)(c3ccccc3F)CO1)CO	1993
+FC(F)(F)C1C2CSC(=NC2(CO1)c3ccccc3F)NC(=O)c4ccccc4	9216
+FC(F)(F)C1C(=Cc2c(O1)ccc(C#N)c2)C(=O)O	108
+FC(F)(F)C1Oc2c(cc(C)cc2C=C1C(OCC)=O)CI	4706
+FC(F)(F)C1C2C(NC(=N)SC2)(CO1)c3ccccc3F	9217
+FC(F)(F)C1CC(CF)(NC(=N)O1)c2c(ccc(n2)NC(=O)c3ccc(cn3)C#N)F	9218
+FC(F)(F)C1CC(O)(CNC(=O)c2cn(c3c2c(ccc3)Cl)CC4OCCC4)CCC1	56
+FC(F)(F)C1CC(N=C(N)O1)(CF)c2c(ccc(Br)n2)F	9219
+FC(F)(F)C1CCC(CC1)CN	15
+FC(F)(F)C1CCC(CC1)C(=O)CN2CCC(CC2)N3c4ccc(S(=O)(=O)C)cc4NC3=O	2382
+FC(F)(F)C1CCC(CC1)C(=O)N	83
+FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C	61
+FC(F)(F)C1CCC(CC1)C=O	24
+FC(F)(F)C1CCC(CC1)NC(c2c(OCCOC)nc(NC)c(c2)N)=O	13
+FC(F)(F)C1CCC(CC1)NC(c2c(nc(c([N+]([O-])=O)c2)Cl)OCCOC)=O	475
+FC(F)(F)C1CCC(CC1)NC(c2c(OCCF)nc(c([N+]([O-])=O)c2)Cl)=O	475
+FC(F)(F)C1CCC(CC1)NC(=O)c2c(OCCF)nc(NC)c(N)c2	13
+FC(F)(F)C1CCC(CC1)NC(c2c(OCCF)nc(c([N+](=O)[O-])c2)NC)=O	70
+FC(F)(F)C1CCC(CC1)NC(=O)c2cc([N+](=O)[O-])c(NC)nc2OCCOC	70
+FC(F)(F)C1CCC(CC1)Oc2ccc3cc(CN4CC(C4)C(=O)O)ccc3c2	4
+FC(F)(F)C1CN(c2c(Cl)cc(c(c2)NC)N)CCC1	0
+FC(F)(F)C1N(c2ncc(cn2)-c3cccc(NC(C(C)n4cnc5N(C)C(=O)N(C(=O)c45)C)=O)n3)CCC1	142
+FC(F)(F)C1CCN(CC1)CCO	95
+FC(F)(F)C1CCN(CC1)CCOc2ccc3c(c2)cc(C(OCC)=O)o3	126
+FC(F)(F)C1CCN(CC1)CCOc2ccc3c(c2)cc(C(=O)O)o3	6
+FC(F)(F)C1CCN(CC1)c2c(C#N)cc(N)c(c2)NC	0
+FC(F)(F)C1CCN(CC1)c2cc3n(C)c(nc3cc2Cl)Nc4cc(c(F)cc4Cl)C#N	1023
+FC(F)(F)C1CCN(CC1)c2cc(NC)c(N)cc2Cl	0
+FC(F)(F)C1CCN(CC1)c2cc3n(C)c(nc3cc2Cl)Nc4c(cc(c(CN)c4)F)Cl	107
+FC(F)(F)C1c2ccccc2N(CC1)C(C(N)=O)C	83
+FC(F)(F)C1CCN(c2c1cccc2)C(C(=O)O)C	3
+FC(F)(F)C1CCN(CC1)c2c(C#N)cc(c(NC)c2)[N+](=O)[O-]	202
+FC(F)(F)C(O)CN1CCCC(c2cc(S(=O)(=O)C)ccc2)C1	170
+FC(F)(F)C1C(C(OCC)=O)=Cc2cc(C)cc(CO)c2O1	41
+FC(F)(F)C1C(=Cc2cc(C=NO)ccc2O1)C(OCC)=O	135
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4n(cc(CC(F)(F)F)n4)CCO	54
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4nc(cn4CCOS(=O)(=O)C)CC(F)(F)F	7
+FC(F)(F)C1CCN(C(CN)C)c2c1cccc2	15
+FC(F)(F)C=1C=C(C)N(c2c(Cl)ccc(c2)C(N(c3cccc(F)c3Cl)C)=O)C(N=1)=O	610
+FC(F)(F)C=1C=C(C)N(C(N=1)=O)c2c(ccc(C(O)=O)c2)Cl	6
+FC(F)(F)C=1N(C(=O)N(c2c(O)c(c(Cl)cc2F)I)C(=O)C=1)C	5
+FC(F)(F)C=1N(C)C(N(c2c(cc(c(Oc3ccc(cc3)OCc4ccccc4)c2)[N+](=O)[O-])F)C(=O)C=1)=O	46
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2cc(c([N+](=O)[O-])cc2F)Oc3c(ccnc3)OCc4ccccc4	551
+FC(F)(F)C=1N(C(N(C(C=1)=O)c2cc3c(cc2)snc3-c4ccc(O)c(c4)C)=O)C	5
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(F)cc(Cl)c(C)c2NC(Oc3ccccc3)=O	9220
+FC(F)(F)C1=CC(=O)N(c2c(cc(Br)c3OC(Cc23)C)F)C(N1C)=O	4258
+FC(F)(F)C=1N(C)C(N(c2c(cc(N)c(Oc3c(OCc4ccccc4)ccnc3)c2)F)C(=O)C=1)=O	0
+FC(F)(F)C1=CN=C(c2c(cc(c([N+](=O)[O-])c2)Cl)Cl)C(=O)N1C	31
+FC(F)(F)C1=CN=C(c2c(cc(Cl)c(O)c2)F)C(N1C)=O	5
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2cc(c(cc2F)Cl)C(=O)O	6
+FC(F)(F)C=1N(C(N(c2c(cc(Br)c(O)c2CC=C)F)C(=O)C=1)=O)C	423
+FC(F)(F)C1=CC(N(c2cc(c(N)cc2F)Oc3ccc(cc3)OCc4ccccc4)C(=O)N1C)=O	0
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(cc(c(c2F)[N+]([O-])=O)Cl)F	31
+FC(F)(F)c1cc(nn1C)Oc2cc(Oc3c(cccc3)OCC(OC)=O)c(cc2)[N+]([O-])=O	9221
+FC(F)(F)C1=CC(=O)N(C(=O)N1)c2cc3c(snc3Cl)cc2	9222
+FC(F)(F)C1=CC(=O)N(c2c(F)cc(Cl)c(C)c2[N+](=O)[O-])C(N1C)=O	4705
+FC(F)(F)C1=CC(=O)N(C(=O)N1)c2c(cc(c(c2[N+]([O-])=O)OC)Cl)F	31
+FC(F)(F)C=Cc1ccc(C(Nc2cc3N(CCCc3cc2)C(=O)C)=O)c(c1)C	67
+FC(F)(F)CC(=O)NN	743
+FC(F)(F)CC(C)CO	2859
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)CO	1427
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O	86
+FC(F)(F)CC(C)(C)CC1=Nc2n(cnc2C(N1c3ccc(cc3)Cl)=O)C	9223
+FC(F)(F)CC(C(N)CO)C	21
+FC(F)(F)CC(C)C(C(=O)O)N	4707
+FC(F)(F)CC(C(NS(=O)(=O)c1sc(cc1)Cl)C(O)C)C	684
+FC(F)(F)CC(C)C(NS(=O)(=O)c1ccc(s1)Cl)C=O	24
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3c(OC)cc(C(=O)NS(=O)(=O)c4ccccc4C)cc3)cn(C)c2cc1	14
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3ccc(C(=O)OC)cc3OC)c[nH]c2cc1	14
+FC(F)(F)CC(C)CNC(=O)c1cc2c(cc1)[nH]cc2Cc3c(OC)cc(C(O)=O)cc3	1
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3ccc(C(=O)OCc4ccccc4)cc3OC)c[nH]c2cc1	47
+FC(F)(F)CC(C=O)C	24
+FC(F)(F)Cc1n2c(nc1)c(C#N)c(cc2)Br	9224
+FC(F)(F)CC(Nc1nc(Cl)c(C#N)nc1)C(N)=O	2941
+FC(F)(F)CC(Nc1nc(Nc2ccc3c(cccn3)c2)c(nc1)C(N)=O)C(N)=O	1198
+FC(F)(F)CC(Nc1cnc(C#N)c(Nc2ccc3c(cccn3)c2)n1)C(N)=O	1410
+FC(F)(F)CCCNC1CCCCC1	15
+FC(F)(F)CCC(C#N)(C#N)CCCCCF	559
+FC(F)(F)CCC(C#N)(C#N)CCCCCO	118
+FC(F)(F)CCC(C#N)(C#N)Cn1nc(C(F)(F)F)c(Br)c1	9225
+FC(F)(F)CCC(C#N)(C#N)CCCCCOCc1ccccc1	3745
+FC(F)(F)CCC(C(O)=O)N1CC(=CC1=O)Oc2c(cccc2)Cl	4
+FC(F)(F)CCC(c1cccc(c1)Cl)CI	343
+FC(F)(F)CCC(N(Cc1c(cc(C(N)=NO)cc1)F)S(=O)(=O)c2ccc(cc2)Cl)C(N)=O	253
+FC(F)(F)CCC(NS(=O)(=O)c1ccc(cc1)Cl)C(N)=O	1946
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC(CO)O)n3	265
+FC(F)(F)CCC(C(OC)=O)N1C(C=C(C1)Oc2c(cccc2)Cl)=O	9226
+FC(F)(F)CCC(CO)c1cc(ccc1)Cl	647
+FC(F)(F)CCCOc1ccc2c(scc2NC(OCC)=O)c1	8
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)OCC	601
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)O	6
+FC(F)(F)CCCc1cncc2c1cc(OC)cc2	9227
+FC(F)(F)CCCN(c1ccc(cc1[N+](=O)[O-])Br)C2CCCCC2	34
+FC(F)(F)CCCNc1ccc(cc1N)C#N	0
+FC(F)(F)CCCOc1ccc(cc1)C=O	126
+FC(F)(F)CCCOc1ccc(cc1)C(=O)C(F)(F)F	2177
+FC(F)(F)CCCOc1ccc(cc1)C(O)C(F)(F)F	714
+FC(F)(F)CCCc1c2cc(OC3CCNCC3)ccc2cnc1	2
+FC(F)(F)CCCc1cncc2ccc(cc12)O	5
+FC(F)(F)CCCn1c2c(nc1CO)cc(CN)cc2	107
+FC(F)(F)CCCn1c(CO)nc2cc(ccc12)C#N	59
+FC(F)(F)CCN1CC(CC1)Nc2ccc(C#N)c(c2)Cl	183
+FC(F)(F)CCNC(=O)c1ccc(cc1)C(=O)C	14
+FC(F)(F)CCN1CCC(CC1)CN	15
+FC(F)(F)CCN1CCC(CC1)C(=O)O	3
+FC(F)(F)CCN1CCC(CC1)CNCC(COc2cccc3[nH]c(cc23)C)O	122
+FC(F)(F)CCN1CCN(CC1)c2cc(c(cc2N)Cl)Cl	0
+FC(F)(F)CCN1CCN(CC1)c2c(ccc(Cl)c2)NC(c3cc4CNCCc4cc3)=O	2
+FC(F)(F)CCN1CCN(CC1)c2c(cc(c(c2)Cl)Cl)NC(=O)c3c(cc(CBr)cc3)F	67
+FC(F)(F)CCOc1ccc(cc1)-n2c(c(nc2-c3ccc(cc3Cl)Cl)C(=O)OCC)C	20
+FC(F)(F)CCOS(=O)(=O)c1ccc(cc1)C	36
+FC(F)(F)CCOc1cc(C=O)ccc1	450
+FC(F)(F)CCOc1c(cc(c(C(=O)O)c1Cl)F)Cl	634
+FC(F)(F)CCOc1cc(CNCCc2c3cc(ccc3[nH]c2)OC)ccc1	42
+FC(F)(F)CCOc1ccc(cc1)-n2c(-c3c(Cl)cc(cc3)Cl)nc(C(=O)O)c2C	6
+FC(F)(F)CCS(=O)(=O)CCCN(CCCO)CCCCCCC1=C(CCCc2c1ccc(O)c2)c3ccccc3	28
+FC(F)(F)CCS(=O)(=O)CCCN(CCO)CCCCCCC1=C(CCCc2cc(O)ccc12)c3cccc(c3)O	28
+FC(F)(F)CCSCCC(=O)Nc1c(Cl)nn(-c2cccnc2)c1	4708
+FC(F)(F)CCSCCC(=O)N(c1c(Cl)nn(-c2cccnc2)c1)CC	9228
+FC(F)(F)CCc1c(ccc(C(=O)C)c1O)OCCCOc2cc(NC(C(OC)=O)=O)ccc2	5
+FC(F)(F)CCc1c(ccc(C(C)=O)c1OC)OCCCOc2cc(NC(C(OC)=O)=O)ccc2	994
+FC(F)(F)CCc1c(ccc(C(C)=O)c1OC)OCCCOc2cc(ccc2)N	0
+FC(F)(F)COc1ccccc1OC	3525
+FC(F)(F)Cn1cc(c(n1)-c2ccc(cc2)OCc3ccccc3)-c4ccncc4	9229
+FC(F)(F)CNCc1c(-c2cc(CC(=O)OC)ccc2OC)ccc(c1)C(F)(F)F	42
+FC(F)(F)CNC(c1ccc(C)c(c1)-c2nc(nc3N(C(=O)C=Cc23)c4c(F)cccc4F)NCCCN(CC)CC)=O	14
+FC(F)(F)CNc1ccc(cn1)[N+](=O)[O-]	70
+FC(F)(F)CNc1c(c(Cl)nc(-n2ccnc2)n1)-c3c(cc(cc3F)F)F	40
+FC(F)(F)CNC(=O)c1cnc(OCc2c(noc2C)-c3ccccc3F)cc1	1650
+FC(F)(F)CN1C(O)(c2c(NC1=O)ccc(F)c2)c3ccccc3	9230
+FC(F)(F)CNC(C1CC(=O)N(Cc2ccccc2)C1)=O	248
+FC(F)(F)CNc1c(cc2c(oc(c2C(NC)=O)-c3ccc(cc3)F)n1)-c4ccc(F)c(C(O)=O)c4	70
+FC(F)(F)CNC(=O)c1ccc(cc1)C=O	93
+FC(F)(F)CNC(C1(c2ccccc2-c3c1cccc3)CCCCBr)=O	68
+FC(F)(F)CN(c1ccc(cn1)N)C	13
+FC(F)(F)CN(c1ncc(cc1)NC(c2c(nn(n2)-c3ccccc3)C)=O)C	1285
+FC(F)(F)CN1C=C(c2ccc(cc2)F)C(=O)C(C(Nc3ccc(cc3)-c4cc(cnc4N)-c5cn(C)nc5)=O)=C1	9231
+FC(F)(F)CN1CCC(CC1)N	316
+FC(F)(F)CN1CCC(CC1)COc2cc(F)c(cc2C3CC3)C(=O)O	1
+FC(F)(F)CN1CCC(CC1)NC(c2cnc(cc2)-c3cccc(C#N)c3)=O	56
+FC(F)(F)CN1CCC(CC1)NC(=O)c2cnc(-c3ccccc3F)cc2	56
+FC(F)(F)CN1CCC(CC1)c2ccc(cc2)N	2737
+FC(F)(F)CN1CCC(CC1)c2ccc(cc2)NC=O	9232
+FC(F)(F)CN1CCNCC(C1=O)NC(OC(C)(C)C)=O	62
+FC(F)(F)CN1CCN(Cc2c(F)c(ccc2)F)CC(C1=O)N	84
+FC(F)(F)CN1CCN(Cc2cccc(F)c2F)CC(NC(=O)OC(C)(C)C)C1=O	48
+FC(F)(F)CNC(=S)Nc1ccnc(SCCCC#N)n1	9233
+FC(F)(F)CNC(=S)Nc1cccc(CO)c1	2898
+FC(F)(F)CNC(=N)Nc1nc(ncc1)SCCCC(=O)N	645
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2cnc3n2ncc(-c4cc(C(=O)O)ccc4)c3	1
+FC(F)(F)CNC(=O)c1ccc(cc1)C=NO	135
+FC(F)(F)CNC(=N)Nc1cccc(CO)c1	3051
+FC(F)(F)CNC(=N)Nc1nc(SCCCC#N)ncc1	3051
+FC(F)(F)CNC(=O)C1(c2c(-c3c1cccc3)cccc2)CCCCN4CCN(CC4)c5ccc(cc5)[N+]([O-])=O	28
+FC(F)(F)CNCC1CN(Cc2ccccc2)C(C1)=O	15
+FC(F)(F)CN=C(N)Nc1nn(CCCCC#N)cn1	3672
+FC(F)(F)CNCC1(CCN(CC1)c2c3n(nc(Nc4ccc(cc4)C(N(C)C5CCN(CC5)C)=O)n3)ccc2)CO	3694
+FC(F)(F)CNCC1CCNC1	25
+FC(F)(F)CNCC1CN(CC1)Cc2ccccc2	15
+FC(F)(F)c1ccc(-c2c(ccc(CC(=O)OC)c2)OC)c(CN(C(=O)C)CC(F)(F)F)c1	58
+FC(F)(F)CNc1c(nc(Cl)nc1)C(N)=O	314
+FC(F)(F)CNc1ncc(Cl)cc1C(=O)O	6
+FC(F)(F)COc1ncc(C2(CCC(CC2)N3CC(C3)NC(CNC(c4cc(C(F)(F)F)ccc4)=O)=O)O)cc1	430
+FC(F)(F)COc1c(cc(F)c(OC(c2c(C)nc(-c3ccc(cc3)C(F)(F)F)s2)CC)c1)C#N	57
+FC(F)(F)COc1ncc(C(=O)O)cc1I	91
+FC(F)(F)COc1ncc(C=O)nc1	799
+FC(F)(F)COc1nc(nc(NC2CN(CC2)S(=O)(=O)C)n1)Nc3cc(c(cc3)F)Cl	2221
+FC(F)(F)COc1ncc(cc1Br)[N+](=O)[O-]	91
+FC(F)(F)COc1ncc([N+]([O-])=O)cc1Cl	91
+FC(F)(F)COc1c(cnc(C#N)c1Cl)Cl	260
+FC(F)(F)COc1c(ccc(F)c1)[N+]([O-])=O	57
+FC(F)(F)COc1c(ccc(n1)C(=O)O)Br	91
+FC(F)(F)COC(=O)c1cc(CCCC)n(Cc2ccc(cc2)-c3ccccc3-c4[nH]nnn4)n1	226
+FC(F)(F)COCCOc1c(cc(Cc2ccc(cc2)CC)c(c1)Cl)Br	1515
+FC(F)(F)COc1ccc(cc1)[N+]([O-])=O	57
+FC(F)(F)COCCOCCOCCOCCOCCOCCOCc1ccccc1	1117
+c1ccccc1CON(C=O)CC(C(C(CC(P(OCC)(OCC)=O)O)O)O)O	9234
+FC(F)(F)COCCOCCOCCOCCOCCOCCOCC(=O)O	3
+FC(F)(F)COCc1nc(nc(COS(=O)(=O)C)c1)Cl	7
+FC(F)(F)COCc1cc(CO)nc(n1)Cl	453
+FC(F)(F)COCc1cc(nc(n1)Cl)C=O	1406
+FC(F)(F)CN1CCOC(C=C2c3ccccc3CCc4ccccc24)C1	9235
+FC(F)(F)COc1ccc(cc1[N+]([O-])=O)F	9236
+FC(F)(F)COc1c(Cl)cc(cc1-c2ccc(cc2)C)C3(CCC3)C(=O)OCC	11
+FC(F)(F)COc1ncc(cc1-c2ccc(cc2)Cl)N	89
+FC(F)(F)COc1ncc(cc1C)C(C)N2C(=O)c3c(c(ncc3)Cl)C2	3047
+FC(F)(F)COc1c(cccc1CC#N)Cl	163
+FC(F)(F)COc1c(Cl)cc(cc1-c2ccc(cc2)C)C(C(O)=O)CC3CC3	3
+FC(F)(F)COc1c(Cl)cc(C(CC2CC2)C(=O)OCC)cc1-c3ccc(cc3)C	11
+FC(F)(F)COc1c(cc(cc1Cl)C2(CCC2)C(=O)O)-c3ccc(cc3)C	3
+FC(F)(F)COc1cc(ccc1F)CCN	51
+FC(F)(F)COc1c(OCCO)cccc1	44
+FC(F)(F)COc1c(OCCOS(=O)(=O)C)cccc1	7
+FC(F)(F)COc1ncc(C(=O)Nc2ccncn2)cc1C3CCCCC3	2370
+FC(F)(F)COc1c(C2CCCCC2)cc(C(NN(c3nnc(Cl)cc3)C)=O)cn1	1325
+FC(F)(F)COc1cc(c(S(=O)(=O)NC)cc1N)F	0
+FC(F)(F)COc1cc2ncnc(O)c2cc1OC	9237
+FC(F)(F)COc1c(C2CCCCC2)cc(cn1)C(Nc3cnccc3)=O	671
+FC(F)(F)COc1cc(c(cc1[N+](=O)[O-])S(=O)(=O)Cl)F	240
+FC(F)(F)COc1cc(C2(CCCC2)C(OCC)=O)ccc1N	0
+FC(F)(F)COc1nc(ccc1C2CC2)C(O)=O	2060
+FC(F)(F)COc1c(CC(O)=O)cccc1Cl	508
+FC(F)(F)COc1c(c(ncc1Cl)C(=O)N)Cl	4709
+FC(F)(F)COc1c(Cl)ccc(c1)C2=CC(=O)n3c(N2)c(-c4oc(C)cn4)cn3	1915
+FC(F)(F)COc1cc(C(=O)O)ccc1Cl	1
+FC(F)(F)COc1c(N)c(cc(C2(CCCC2)C(OCC)=O)c1)Cl	196
+FC(F)(F)COc1c(cc(c(c1)N)C(=O)OCC)OC	0
+FC(F)(F)COc1cc(n[nH]1)N	1131
+FC(F)(F)COc1c(cc(c(F)c1)S(=O)(=O)NC)[N+]([O-])=O	71
+FC(F)(F)COc1c(Br)ccc(C(O)=O)c1	1
+FC(F)(F)COc1c(ccc(C(N2CC(C2)F)=O)c1)Nc3nn4ccc(Cl)cc4n3	490
+FC(F)(F)COc1c(CC(OC)=O)ccc(c1)OCC2OC2	8
+FC(F)(F)COc1cc(ccc1CC(OC)=O)O	16
+FC(F)(F)COc1c(F)ccc(CC#N)c1	163
+FC(F)(F)COc1cc(ccc1F)CCNCC2COCC2	110
+FC(F)(F)COc1cc(C(CC2CCC2)C(=O)OC)ccc1N	0
+FC(F)(F)COc1c(C2CC2)cnc(C(NC(c3nnn[nH]3)(C)CC4CC4)=O)c1	420
+FC(F)(F)COc1c(C(=O)NCc2nc(ccc2)O)cc(O)cc1	16
+FC(F)(F)COc1ccc(cc1)N2CCNCC2	2
+FC(F)(F)COc1ccc(cc1)N2CCN(CC2)S(=O)(=O)C	112
+FC(F)(F)COc1ccc(cc1)N	0
+FC(F)(F)COc1c(cc(cc1)F)N2CCN(CC2)CCCNC(c3c(noc3C)-c4ccccc4)=O	53
+FC(F)(F)COc1c(cc(F)cc1)N	0
+FC(F)(F)COc1ccccc1O	5
+FC(F)(F)COc1cnc(C(C)NC(Cc2ccc(cc2)-c3c(C4CC4)nccn3)=O)cc1	9
+FC(F)(F)COc1cccc(CO)n1	398
+FC(F)(F)COc1cccc(CN)n1	18
+FC(F)(F)COc1nc(ccc1)CC#N	9238
+FC(F)(F)COc1nc(CN=[N+]=[N-])ccc1	4454
+FC(F)(F)COc1ncc(cc1I)C(=O)Nc2cnccc2	3052
+FC(F)(F)COc1c(cc(C(=O)O)cn1)C2CCCCC2	1
+FC(F)(F)COc1c(cc(cn1)N)Cl	13
+FC(F)(F)COc1c(cc(cn1)NC(c2cc(cnc2)C)=O)-c3ccc(cc3)Cl	3052
+FC(F)(F)COc1ncc(cc1-c2ccc(cc2)Cl)NC(=O)c3cc(nn3C)C	510
+FC(F)(F)COc1c(Br)cc(cn1)N	13
+FC(F)(F)COc1ncc(cc1C)C(C)N2Cc3c(C2=O)ccnc3C(Oc4ccccc4)=O	4710
+FC(F)(F)COc1ncc(C(OC)=O)cc1C2CCCCC2	671
+FC(F)(F)COc1cc2n(C(=O)C=C(N2Cc3ccc(Cl)nc3)C)n1	9239
+FC(F)(F)CSc1cc(O)ccc1C	956
+FC(F)(F)CSc1cc(ccc1C)OCCCCCSC#N	9240
+FC(F)(F)Cc1ccc(cc1)C2CNCC(C(OC)=O)C2	9241
+FC(F)(F)Cc1ccc(cc1)-c2cncc(C(=O)OC)c2	305
+FC(F)(F)Cc1ccc(cc1)C2CN(C(N3CCSCC3)=O)CC(C2)C(O)=O	4
+FC(F)(F)Cc1ccc(cc1)C2CC(CN(C(N3CCSCC3)=O)C2)c4nc(no4)OCCOC	9242
+FC(F)(F)Cc1ccc(cc1)C2CN(C(=O)Oc3ccc(cc3)[N+]([O-])=O)CC(C2)C(=O)OC	66
+FC(F)(F)Cc1ccc(cc1)N2CCC3(C2=O)C(CN(CC3)Cc4ccccc4)O	2007
+FC(F)(F)Cc1ccc(cc1)N2C(=O)C3(CCN(CC3O)S(=O)(=O)c4c(Cl)cccc4)CC2	92
+FC(F)(F)Cc1ccc(cc1)N2CCC3(C(CNCC3)O)C2=O	25
+FC(F)(F)Cc1cc(cc(C)c1OCc2ccccc2)I	184
+FC(F)(F)Cc1cccc(C)c1OCc2ccccc2	22
+FC(F)(F)Cc1cccc(c1O)C	5
+FC(F)(F)Cc1nnc2n1CC(c3c(F)c(ccc3)F)CCC2N	12
+c1cc(ccn1)Cn2ncnc2-c3sc4CCOc5c(ccc(c5)Br)-c4n3	9243
+FC(F)(F)Cn1c2cccc(Cl)c2c(c1)C(NCC3(O)CC(F)(F)CC(C)C3)=O	56
+FC(F)(F)Cn1nc(c(c1)-c2ccncc2)-c3ccc(cc3)O	16
+FC(F)(F)Cn1nc(c(c1)-c2ccncc2)-c3ccc(cc3)OCc4nc5c(cccc5)n4CF	20
+FC(F)(F)Cn1cc(-c2n(S(=O)(=O)C)c3c(cnc(Br)c3)c2)cn1	4711
+FC(F)(F)Oc1ccccc1-c2cc(C(=O)O)c(C)n2CC3OCCC3	1
+FC(F)(F)Oc1ccccc1-c2nc(ncn2)Nc3cc(ccc3)CS(=O)(=O)C	1582
+FC(F)(F)Oc1ccccc1-c2cccc(c2)C(C)=O	11
+FC(F)(F)Oc1ccccc1C(Cl)=NO	761
+FC(F)(F)Oc1c(cc(C(COC)=O)cc1)F	586
+FC(F)(F)Oc1c(F)cc(cc1)C(c2ncccc2F)NC(c3nc([N+](=O)[O-])c(cc3)O)=O	390
+FC(F)(F)Oc1c(F)cc(cc1)C(NC(=O)c2nc(c(OC)cc2)[N+](=O)[O-])c3ncccc3F	81
+FC(F)(F)Oc1c(F)cc(C(NC(=O)c2nc(c(cc2)O)N)c3ncccc3F)cc1	161
+FC(F)(F)Oc1c(cc(C(Nc2ccc(-c3ccccc3F)nc2)=O)cc1)N	140
+FC(F)(F)Oc1c(c(cc(C(=O)OC)c1)Cl)O	196
+FC(F)(F)Oc1cc(C(=O)N2CSc3c2cccc3)cc(Cl)c1OC	448
+FC(F)(F)Oc1c(c(C#N)cc(C(O)=O)c1)OC	1421
+FC(F)(F)Oc1c(S(=O)(=O)N)ccc(c1)C(=N)NO	181
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)CN)ccc(c1)Br	15
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)C(=O)N)ccc(Br)c1	83
+FC(F)(F)Oc1cc(cc(c1OC)Cl)C(OC)=O	297
+FC(F)(F)Oc1ccc(C(COC)=NO)cc1F	189
+FC(F)(F)Oc1c(cc(C(COC)NC(c2nc(nc(O)c2)N3CCCC3)=O)cc1)F	104
+FC(F)(F)Oc1c(cc(cc1)Cl)C2=CC(=O)N(C(C)C(=O)Nc3ccc(cc3)C(O)=O)C=C2C#N	153
+FC(F)(F)Oc1ccc(S(=O)(=O)N)cc1N	0
+FC(F)(F)Oc1c(S(=O)(=O)N)ccc(c1)C#N	180
+FC(F)(F)Oc1c(ccc(c1)C#N)C2C(=C(C)Nc3ccnc(OCC)c23)C(=O)O	9244
+FC(F)(F)Oc1c(C2C(=C(C)Nc3c2c(ncc3)OCC)C(=O)N)ccc(C#N)c1	3053
+FC(F)(F)Oc1cc(-c2ccc(s2)S(=O)(=O)n3ccc4cc(CCC(OC)=O)ccc34)ccc1	159
+FC(F)(F)Oc1cc(-c2ccc(s2)S(=O)(=O)n3ccc4cc(CCC(O)=O)ccc34)ccc1	4
+FC(F)(F)Oc1c(ccc(C#N)c1)C2c3c(ccnc3OCC)NC(=C2C(=O)OCCC#N)C	160
+FC(F)(F)Oc1cc(C#N)cc(-c2nc(no2)-c3ccc4c(c5c([nH]4)C(C(=O)O)CC5)c3)c1	3
+FC(F)(F)Oc1cc(cc(CO)c1)Cl	611
+FC(F)(F)Oc1c(OC)c(C#N)cc(c1)C(N2c3c(SC2)cccc3)=O	448
+FC(F)(F)Oc1cc(cc(Cl)c1)CC#N	1686
+FC(F)(F)Oc1cc2cc([nH]c2c(N(C)S(=O)(=O)c3cccs3)c1)C(=O)O	6
+FC(F)(F)Oc1ccc(O)c(c1)N	0
+FC(F)(F)Oc1ccc(cc1)C#CCCCO	1762
+FC(F)(F)Oc1ccc(F)c(Cc2n(c3c(N(C(=O)N(Cc4ccc(cc4)OC)C3=O)C)n2)Cc5ccc(cc5)Cl)c1	371
+FC(F)(F)Oc1cc(Cl)cc(COS(=O)(=O)C)c1	7
+FC(F)(F)Oc1cc(cc(Cl)c1OC)C(=O)O	1
+FC(F)(F)Oc1cccc(C(C)N)c1	474
+FC(F)(F)Oc1cc(N2CCC(N(CC2)C(CO)CCN3CC(O)C4(CC4)CC3)=O)ccc1	95
+FC(F)(F)Oc1cccc(c1)SC2CCOC(c3ccc(cc3)Cl)C2	2254
+FC(F)(F)Oc1cc(ccc1)S(=O)(=O)Nc2ccc(OC)c(C3CCN(CCC)C3)c2	15
+FC(F)(F)Oc1c(ccc(Br)c1)S(=O)(=O)N	336
+FC(F)(F)Oc1cc2ccc(nc2cc1)O	2900
+FC(F)(F)Oc1cc2cc([nH]c2c(N)c1)C(OCC)=O	13
+FC(F)(F)Oc1cc2c(c(N(C)S(=O)(=O)c3cccs3)c1)[nH]c(C(=O)N)c2	247
+FC(F)(F)Oc1cc(NS(=O)(=O)c2cccs2)c3c(c1)cc(C(=O)OCC)[nH]3	2412
+FC(F)(F)Oc1c(N)cc(cc1)C(Nc2cnc(Cl)cc2)=O	487
+FC(F)(F)Oc1ccc(C2CC(c3onc(OCC)n3)CN(C(=O)Oc4ccc(cc4)[N+](=O)[O-])C2)cc1F	66
+FC(F)(F)Oc1ccc(F)c(c1)Cc2n(Cc3ccc(cc3)Cl)c4c(n2)N(C)C(=O)NC4=O	9245
+FC(F)(F)Oc1cc(c(F)cc1)Cc2[nH]c3c(n2)C(=O)N(C(=O)N3C)Cc4ccc(cc4)OC	9246
+FC(F)(F)Oc1c(cc(N)cc1)NC(=O)CN2CCOCC2	0
+FC(F)(F)Oc1ccc(cc1)-c2nc(C(O)=O)c(C)[nH]2	6
+FC(F)(F)Oc1ccc(cc1)-c2cc(CCO)n(C)n2	21
+FC(F)(F)Oc1ccc(cc1)-c2cc(CNC(C(=C)N(C)S(=O)(=O)c3ccc(cc3)Cl)=O)ccn2	4712
+FC(F)(F)Oc1ccc(cc1)-c2cc(COc3ccc4c(ccn4CC(OCC)=O)c3)n(C)n2	20
+FC(F)(F)Oc1ccc(cc1)-c2cc(COc3cc4c(cc3)n(cc4)CC(=O)O)n(C)n2	3
+FC(F)(F)Oc1ccc(cc1)-c2cc(CO)n(C)n2	194
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C3CCCCC3)n2)Cc4ccc(cc4)C(=O)Nc5[nH]nnn5	4713
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C)n2)CCCO	44
+FC(F)(F)Oc1ccc(cc1)-c2cc(CC#N)n(C)n2	9247
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(c(cc3c2)CO)Cc4ccccc4	194
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(Cc4ccc(cc4)C)c(cc3c2)CO	194
+FC(F)(F)Oc1ccc(cc1)-c2cc3n(C)cc(C(=O)C(O)=O)c3cc2	4714
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(Cc4ccc(cc4)C)c(cc3c2)COC(C)=O	204
+FC(F)(F)Oc1ccc(cc1)-c2ccc3c(cc(COC(C)=O)n3Cc4ccccc4)c2	204
+FC(F)(F)Oc1ccc(cc1)-c2cnc(nc2)-c3ccc(cc3)C=O	345
+FC(F)(F)Oc1ccc(cc1)-c2cnc(nc2)Nc3cc(c(cc3)C)N	0
+FC(F)(F)Oc1ccc(cc1)-c2cc(CN)ccn2	107
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3cccc(OC(C)(C)C(O)=O)c3)c2	3
+FC(F)(F)Oc1ccc(cc1)-c2nn(c(c2)CCOc3cc4n(ccc4cc3)CC(O)=O)C	3
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)CO	4715
+FC(F)(F)Oc1ccc(cc1)-n2nc(nc2)-c3ccc(cc3)CCCN	45
+FC(F)(F)Oc1ccc(cc1)-n2ncc3c2ccc4c3ccc(c4)C=O	674
+FC(F)(F)Oc1ccc(cc1)-c2nccc(C#N)c2	140
+FC(F)(F)Oc1ccc(cc1)-c2ccc(nc2)N3CCN(C(OCC(=O)NC)=O)CCC3	89
+FC(F)(F)Oc1ccc(cc1)C=2C=CC=3N(C=2)C(=O)NN=3	2243
+FC(F)(F)Oc1ccc(cc1)-c2ccc3cc[nH]c3c2	495
+FC(F)(F)Oc1ccc(cc1)-c2cc3ccn(Cc4ccccc4)c3cc2	11
+FC(F)(F)Oc1ccc(cc1)-c2ccc(cc2)OC(CCCCCC)c3ccc(cc3)C(=O)NCCC(=O)OC	11
+FC(F)(F)Oc1ccc(cc1)-c2cc3cc(C(OCC)=O)n(Cc4ccc(cc4)C)c3cc2	11
+FC(F)(F)Oc1ccc(cc1)-c2cc3c(cc2)n(Cc4ccccc4)c(C(OCC)=O)c3	11
+FC(F)(F)Oc1ccc(cc1)-c2cnc(nc2)Cl	4172
+FC(F)(F)Oc1ccc(cc1)-c2cnc(nc2)Nc3cc([N+]([O-])=O)c(cc3)C	537
+FC(F)(F)Oc1ccc(cc1C(=O)O)Br	634
+FC(F)(F)Oc1ccc(cc1)C#CCC2(CCC2)CO	44
+FC(F)(F)Oc1ccc(cc1)C#CCC2(CCC2)COS(=O)(=O)C	7
+FC(F)(F)Oc1ccc(cc1)C#CCC2(CCC2)CI	572
+FC(F)(F)Oc1ccc(cc1)C#CCCCOS(=O)(=O)C	7
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc3ccn(c3cc2)CC(OCC)=O	126
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc3c(ccn3C(C(OCC)=O)C)cc2	262
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2c3c(ccn3CC(O)=O)ccc2	3
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2ccc3ccn(C(C)C(=O)O)c3c2	3
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc3ccn(c3cc2)CC(=O)O	3
+FC(F)(F)Oc1ccc(cc1)C(=NO)COC	189
+FC(F)(F)Oc1ccc(cc1)C(COC)=O	155
+FC(F)(F)Oc1ccc(cc1)C(=O)NC(C#N)(Cn2ncc3cc(ccc23)[N+]([O-])=O)C	93
+FC(F)(F)Oc1ccc(cc1)C(c2c(ccc(Br)c2)Cl)O	488
+FC(F)(F)Oc1ccc(cc1)Cc2cc(ccc2Cl)Br	452
+FC(F)(F)Oc1ccc(cc1)C2(CC2)N3CCC(CC3)ON4C(=O)c5ccccc5C4=O	9248
+FC(F)(F)Oc1ccc(cc1)C2(CC2)N3CCC(CC3)ONC(=O)Nc4ccc(cc4)F	9249
+FC(F)(F)Oc1ccc(cc1)C2(CC2)N3CCC(CC3)ON	670
+FC(F)(F)Oc1ccc(cc1)C2=CN3C(=NN(CCc4c(F)cccc4F)C3=O)C=C2	9250
+FC(F)(F)Oc1ccc(cc1)CC(C#N)C#N	9251
+FC(F)(F)Oc1ccc(cc1)C=Cc2occ(CO)n2	9252
+FC(F)(F)Oc1ccc(cc1)CN2C(CC(C)C2=O)c3ccccc3-c4ccccc4	1737
+FC(F)(F)Oc1ccc(cc1)C2N(c3nnc(cc3)C)C(C(=C2C(=O)c4ccc(cc4)N(C)C)O)=O	4716
+FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(Oc3c(ncc(C(=O)O)c3)N)C2)=O	1
+FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(Oc3cc(cnc3N)C(NC)=O)C2)=O	56
+FC(F)(F)Oc1ccc(cc1)CC2CC(C(O)=O)CCN2C(OC)=O	4
+FC(F)(F)Oc1ccc(cc1)CCNc2cc(Cl)nc(OC)n2	40
+FC(F)(F)Oc1ccc(cc1)CNC(C)=O	9
+FC(F)(F)Oc1ccc(cc1)-c2[nH]c(c(n2)C(=O)OCC)C	4152
+FC(F)(F)Oc1ccc(cc1)CN(CCCN2Cc3c(ccc(CC(=O)OC)c3)CC2)c4ncc(cn4)CC	61
+FC(F)(F)Oc1ccc(cc1)CN(CCCN2Cc3cc(ccc3CC2)CC(=O)O)c4ncc(cn4)CC	4
+FC(F)(F)Oc1ccc(cc1)CN(CCC=O)c2ncc(cn2)CC	24
+FC(F)(F)Oc1ccc(cc1)CNCC	15
+FC(F)(F)Oc1ccc(cc1)CN(CCCO)c2ncc(cn2)CC	117
+FC(F)(F)Oc1ccc(cc1)COc2nc3c(cc2)cc(cc3)O	805
+FC(F)(F)Oc1ccc(cc1)Cc2cc(C3(OC(CO)C(C(O)C3O)O)OC)ccc2Cl	353
+FC(F)(F)Oc1ccc(cc1)CC2NCCC(C(OC)=O)C2	3861
+FC(F)(F)Oc1ccc(cc1)-n2cnc(n2)Br	4717
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc(c(nc2)Cl)Br	246
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc([N+]([O-])=O)c(cc2Cl)F	50
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc(Br)c(cc2)F	67
+FC(F)(F)Oc1ccc(cc1)NC(=O)C2(CCN(CC2)S(=O)(=O)c3ccc(cc3)C)F	33
+FC(F)(F)Oc1ccc(cc1)NC2=C(c3ccccc3)S(=O)(=O)N(CCCC)C2=O	9253
+FC(F)(F)Oc1ccc(cc1)N2C(=O)C3(CCNCC3)CC2	25
+FC(F)(F)Oc1ccc(cc1)N2C(C3(CCN(CC3)S(=O)(=O)c4cnccc4)CC2)=O	1027
+FC(F)(F)Oc1ccc(cc1)N2CCC3(CCN(CC3)c4c(ccc(C)c4)OC)C2=O	79
+FC(F)(F)Oc1ccc(cc1)N2CCC3(CCN(CC3)c4nc(OCc5ccccc5)ccc4)C2=O	361
+FC(F)(F)Oc1ccc(cc1)N2C(=O)N(C(C)(C)C2=O)Cc3c4cc(O)ccc4ncc3	5
+FC(F)(F)Oc1ccc(cc1)N2CCC3(CCN(CC3)c4cc(ccc4O)C)C2=O	5
+FC(F)(F)Oc1ccc(cc1)N2CCC3(CCN(CC3)c4nc(O)ccc4)C2=O	700
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc(c(NCC(C)(C)O)cc2N3CCOCC3)N	0
+FC(F)(F)Oc1ccc(cc1)NC(CC)C(=O)N2c3ncccc3NC(=O)C2	4718
+FC(F)(F)Oc1ccc(cc1)NC(CC)C(=O)O	4
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)C(CN3CCNCC3)=O)=O	25
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCNCC2)=O	2
+FC(F)(F)Oc1ccc(cc1)NC(c2ccc(N3CC(O)CC3)c(c2)-c4cncnc4)=O	4719
+FC(F)(F)Oc1ccc(cc1)NCC(NC(C(CC2CCCCC2)NC(OCc3ccccc3)=O)=O)C	9
+FC(F)(F)Oc1ccc(cc1)NCC(C)N	102
+FC(F)(F)Oc1ccc(cc1)NCC(C)NC(C(CC2CCCCC2)NS(=O)(=O)c3cccc(c3)Cl)=O	1946
+FC(F)(F)Oc1ccc(cc1)NCC(NC(=O)C(N)CC2CCCCC2)C	334
+FC(F)(F)Oc1ccc(cc1)Nc2cc(N3CCCC3)cc(n2)-c4ccccc4	140
+FC(F)(F)Oc1ccc(cc1)Nc2nc(nc(n2)N3CCOCC3)NN	4720
+FC(F)(F)Oc1ccc(cc1)Oc2cc(C(F)(F)F)ccc2C(=O)Nc3ccnc(O)c3	46
+FC(F)(F)Oc1ccc(cc1)OC(CC)C(OCC)=O	289
+FC(F)(F)Oc1cc([N+]([O-])=O)c(cc1)O	31
+FC(F)(F)Oc1ccc(cc1)Oc2ccc(cc2C(Nc3cc(O)ncc3)=O)F	46
+FC(F)(F)Oc1ccc(cc1)OC(CC)C(=O)N2CC(Nc3ccc(C)nc23)=O	4718
+FC(F)(F)Oc1ccc(cc1)OC(CC)C(O)=O	3
+FC(F)(F)Oc1ccc(cc1)OC2CCN(CC2)CCOCC(=O)NC3COc4nc([N+](=O)[O-])cn4C3	467
+FC(F)(F)Oc1ccc(cc1)OCC(=O)O	32
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCC(O)CN2c3ccccc3CCc4c2cccc4	71
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCC(CC2c3ccccc3CCc4sccc24)O	71
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C3C4C(CN(C(=O)CC)C4)C3	69
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N2CCC(CC2)=NO	350
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCC(=O)CN2c3c(cccc3)CCc4c2cccc4	86
+FC(F)(F)Oc1c(-c2cc3c(C(C)(C)CC=C3C(C)C)cc2C)cc(cc1)C=C4C(=O)NC(=O)S4	377
+FC(F)(F)Oc1ccc(C2CC(c3onc(n3)OCC)CNC2)cc1F	2
+FC(F)(F)Oc1ccc(cc1NC(Nc2c3n(cnc3ccc2)C)=S)S(=O)(=O)N	4721
+FC(F)(F)Oc1ccc(cc1NC(=O)CN2CCOCC2)NC(=O)c3cnc(-c4cc(F)cc(F)c4)cc3	140
+FC(F)(F)Oc1ccc(N)cc1S(=O)(=O)C	0
+FC(F)(F)Oc1cc2c([n+](ccc2)[O-])cc1	9254
+FC(F)(F)Oc1ccc2nc(Nc3nc4cc(C(=O)O)ccc4n3C)sc2c1	1
+FC(F)(F)Oc1ccc2nc(sc2c1)Nc3nc4c(ccc(c4)C(=O)NCC(OC)=O)n3C	259
+FC(F)(F)Oc1ccc2nc(sc2c1)Nc3nc4cc(ccc4n3C)C(NCC(O)=O)=O	4
+FC(F)(F)Oc1ccc2nc(sc2c1)Nc3nc4c(n3C)ccc(C(NCC(NC)=O)=O)c4	9
+FC(F)(F)Oc1cc(-c2ccc(S(=O)(=O)n3ccc4cc(ccc34)C=CC(=O)OC)s2)ccc1	268
+FC(F)(F)Oc1cccc(-c2cc(nn2-c3ccccc3)N)c1	1196
+c1cc(ccc1)C(c2ccccc2)CN(Cc3cc(ccc3)OC(F)(F)F)CCCOc4cc(CC(=O)OC)ccc4	131
+FC(F)(F)Oc1cc(Cc2[nH]c3N(C)C(=O)N(Cc4ccc(cc4)OC)C(=O)c3n2)ccc1	4722
+FC(F)(F)Oc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(N)s3)cc2)c1	3054
+FC(F)(F)Oc1cccc(CC(=O)Nc2nnc(CCCCC#N)cc2)c1	4723
+FC(F)(F)Oc1cccc(CC(=O)NC2=C(N(C)C(=O)N(C2=O)Cc3ccc(cc3)OC)N)c1	2428
+FC(F)(F)Oc1cccc(CC(Nc2ccc(nn2)Cl)=O)c1	142
+FC(F)(F)Oc1cccc(c1)C(NN)=O	1094
+FC(F)(F)Oc1cccc(c1)-c2nnc3ccc(nn23)C(O)=O	1968
+FC(F)(F)Oc1cccc(c1)Oc2ccc(Nc3c4c(ncn3)ccn4CCNC(CS(=O)(=O)C)=O)cc2C	9
+FC(F)(F)Oc1ccccc1-c2noc(c2COC)C3CC3	1043
+FC(F)(F)Oc1ccccc1-c2noc(C3CC3)c2CO	88
+FC(F)(F)Oc1ccccc1C(N)=NO	253
+FC(F)(F)Oc1c(-c2cc(c(C)n2CC3CCCO3)C(=O)OC)cccc1	9255
+FC(F)(F)Oc1c(cccc1)C(Nc2sc(C(=O)NCc3ccccc3)c(n2)C)=O	548
+FC(F)(F)Oc1c(cccc1)-c2noc(-c3ccc(-c4c(cccc4)OC)c(C)c3)n2	910
+FC(F)(F)Oc1c(cccc1)-c2nc(-c3ccc(c(C)c3)-c4c(csc4)C)on2	910
+FC(F)(F)Oc1c(C=NO)cccc1	135
+FC(F)(F)Oc1ccccc1CN2C(=O)C(C)CC2c3c(cccc3OC)OC	1737
+FC(F)(F)Oc1c(Cn2cc(nc2)-c3nccc(C#N)c3)cccc1	371
+FC(F)(F)Oc1ccc(cc1S(=O)(=O)C)[N+]([O-])=O	31
+FC(F)(F)S(=O)(=O)Oc1c(c(c(cc1)C#N)F)F	376
+FC(F)(F)S(=O)(=O)Oc1cc(c(CC(=O)OCC)cc1Cl)C	376
+FC(F)(F)S(=O)(=O)Oc1ccc2ccc(Oc3c4cc(c(cc4ncc3)OC)OC)cc2c1	376
+FC(F)(F)S(=O)(=O)Oc1c(C(OCC)=O)oc2c1cncc2	9256
+FC(F)(F)S(=O)(=O)Oc1cc2n(C)cnc2cc1	376
+FC(F)(F)S(=O)(=O)Oc1c(OC)cc(-c2oc3c(cccc3)n2)cc1	376
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2cnccc2NC(OC(C)c3c(cccc3)Cl)=O	376
+FC(F)(F)S(=O)(=O)Oc1cc2c(oc(c2C(NC)=O)-c3ccc(cc3)F)cc1CC(OC)=O	376
+FC(F)(F)S(=O)(=O)Oc1c2-c3c(C(c2ccc1)=O)c(nc(n3)N)-c4ccc(cc4)F	376
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2nc(c3cccc(C#N)c3c2)O	376
+FC(F)(F)S(=O)(=O)Oc1ccc(c2nc(c(Cc3ccc(cc3)Cl)c(c12)C)C)Cl	376
+FC(F)(F)S(=O)(=O)Oc1c(Cl)c(c(Cc2ccc(cc2)OC)cc1C(OC)=O)C	376
+FC(F)(F)S(=O)(=O)Oc1ccc2CCC(C(c2c1)Cc3ccc(c(Cl)c3)Cl)NC(=O)OCC	376
+FC(F)(F)S(=O)(=O)Oc1c2-c3nc(nc(-c4ccccc4)c3C(=O)c2ccc1)N	376
+FC(F)(F)S(=O)(=O)Oc1ccc(c(c1)F)N2C=C(C(C(=N2)c3n(-c4ccccc4)ncc3)=O)OC	376
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2c(oc3c2cccc3)Cc4ccccc4	376
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1C)nccc2	376
+FC(F)(F)S(=O)(=O)Oc1cc(c2scnc2c1)OC(C)C3CC(=O)NC3	376
+FC(F)(F)S(=O)(=O)Nc1c(C(=NOc2ccc(cc2)Cl)CC)cc(Cl)cc1	189
+FC(F)(F)S(=O)(=O)Nc1c([N+]([O-])=O)ccc(Oc2ccc(nn2)Cl)c1	31
+FC(F)(F)S(=O)(=O)Oc1ccc2C=CN(c3cc(ccc3C)C(=O)OC)C(=O)c2c1	9257
+c1ccccc1C#CC=2C=CN(Cc3cccc(F)c3)C(=O)C=2Br	9258
+c1ccccc1COc2cc3C(=C(C(=O)OC)N(CC(C)C)C(=O)c3cc2)c4ccccc4F	9259
+CCOC(=O)C=1CCCC=1c2c(cccc2)F	4724
+CC1(C)C=C(CC1(C)C)c2ccccc2[N+](=O)[O-]	2144
+c1cc(ccc1C2=CCC3(OCCO3)CC2)OC	2144
+c1cc(ccc1)C#CC2=NN(C(C=C2)=O)C(C)C	9260
+c1cc(ccc1F)CC=2C=C(N(C(=O)C=2[N+](=O)[O-])CC(OC)=O)C	9261
+c1c(C#N)cc(cc1)C2=C(C(=O)OC)CCC2	4724
+c1ccccc1C=CCN2CCC(CC2)NC3=CC(Oc4c3cc(Br)cc4)=O	9262
+c1(cc(F)ccc1)C2=CC(Oc3cc(C)ccc23)=O	9263
+c1(cc(cc(F)c1C2N(C(C)(C)Cc3c4ccccc4[nH]c23)CC(CF)C)C=CC(=O)OC)F	1645
+FC(F)(F)CN1CCCC(c2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2)C1	2532
+FC(F)(F)Cn1ncc(I)c1	9264
+FC(F)(F)COc1cnc2c(ccnc2c1)Cl	4655
+FC(F)(F)COc1ccc(cc1C(=O)OCC)OCc2ccccc2	9265
+C1CC(CCN1CC(F)F)Oc2c3c4c(n(S(=O)(=O)c5ccccc5)c3cnc2C#N)ncc(c4)Br	1645
+FC(F)(F)S(=O)(=O)Oc1cc(C2CCCN(C2)CC3Oc4c(cccc4)OC3)ccc1	166
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1Cl)CC(OC)=O	166
+FC(F)(F)S(=O)(=O)Oc1cc(Cl)c(c(Cl)c1)CC2CCN(C2=O)C3CCCCC3	166
+FC(F)(F)S(=O)(=O)Oc1cc(CC(=O)OC)cc(OC)c1	166
+FC(F)(F)S(=O)(=O)Oc1c(F)cccc1[N+](=O)[O-]	166
+FC(F)(F)S(=O)(=O)Oc1c(cc(c2cccnc12)Cl)C(=O)C	4599
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1C=O)-c2cccc(C#N)c2	166
+FC(F)(F)S(=O)(=O)Oc1c(ccc(F)c1)[N+]([O-])=O	166
+FC(F)(F)S(=O)(=O)OC1=C(Br)C(N(C=C1)Cc2cccc(F)c2)=O	9266
+FC(F)(F)S(=O)(=O)Oc1c2c(OC)nccc2n(-c3c(cccc3F)F)n1	9267
+FC(F)(F)S(=O)(=O)Nc1cc(OCc2nc3ccccc3cn2)ccc1	1422
+FC(F)(F)S(=O)(=O)Oc1c2c(cc(C#N)c(c2)F)ccc1	166
+FC(F)(F)S(=O)(=O)Oc1cc2ccc(cc2cn1)F	1062
+FC(F)(F)S(=O)(=O)Oc1c(c2c(cc1)cc(cc2)C=C)[N+]([O-])=O	166
+FC(F)(F)S(=O)(=O)Oc1c2cc(ccc2cc(c1C)CC(=O)OC)F	166
+FC(F)(F)S(=O)(=O)Nc1cc(c(C)cc1C)N2C(CC2)=O	1422
+FC(F)(F)S(=O)(=O)Oc1nc(ccc1F)F	1062
+FC(F)(F)S(=O)(=O)Nc1cccc(c1)Oc2nnc(Cl)cc2	1422
+FC(F)(F)S(=O)(=O)Oc1cc(C=O)c(cc1)-c2ccc(OC)c(c2)Cl	166
+FC(F)(F)S(=O)(=O)Oc1c(C=O)c(F)ccc1OCC	166
+FC(F)(F)S(=O)(=O)OC=1c2c(OC(=O)C=1)ccc(Br)c2	9268
+FC(F)(F)S(=O)(=O)Oc1cc2c(Br)ccc(F)c2cn1	1062
+FC(F)(F)S(=O)(=O)Oc1ncc2c(cccc2)c1F	1062
+FC(F)(F)S(=O)(=O)Oc1ccc2c(c1)cccc2C(=O)OCC	166
+FC(F)(F)S(=O)(=O)Oc1cc2cnc(cc2cc1)C(OC)=O	166
+FC(F)(F)S(=O)(=O)Oc1cc2c([nH]c3ncc(cc23)F)cn1	1062
+FC(F)(F)S(=O)(=O)Oc1cc2c(cn1)[nH]c3ncc(OC)cc23	1062
+FC(F)(F)S(=O)(=O)Oc1nc2cc(ccc2cc1)F	1062
+FC(F)(F)S(=O)(=O)Oc1ccc2ncccc2c1	166
+FC(F)(F)S(=O)(=O)Oc1c(cc(CC(OC)=O)cc1)F	166
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2ccc(cc2)C#N	166
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)c(-c3ccc(cc3)Cl)ns2	166
+FC(F)(F)S(=O)(=O)Oc1ccc2c(c1)ccn2-c3ccc(cc3)F	166
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)C2CCC(CC2)CC(=O)OCC	166
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O	166
+FC(F)(F)S(=O)(=O)Oc1ncc2c3ccccc3c4ccccc4c2c1	1062
+FC(F)(F)S(=O)(=O)Oc1c(ccc(c1)OCc2ccccc2)C=O	166
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1)-n2c3ncc(cc3nc2)-c4cocc4	166
+FC(F)(F)S(=O)(=O)Oc1cc2ncccc2cc1	166
+FC(F)(F)S(=O)(=O)Oc1cccc2oc(C(OCC)=O)c(C)c12	166
+CC(C)(C)[Si](C)(C)OC1CCN(C1)c2ncc(cc2)N3C(=O)C=C(C=C3)OCc4ccccc4	655
+CC(C)(C)[Si](C)(C)OC(c1ccc(cc1)C#N)CN2CC(C(OCC)=O)CCC2	655
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(CC(OCc3ccccc3)CC2)F	655
+CC(C)(C)[Si](C)(C)OC1c2c3c(cc(cc3)OCc4ccccc4)ncc2CCC1	655
+c1cc(ccc1OC)-c2c(C(OC)=O)cc(Cc3c(C)c(OC)c(OC)c(c3OC)OC)cc2	368
+c1cc(ccc1-c2c3c(cc(CC(=O)OC)c2C)ccc(c3)Cl)[N+](=O)[O-]	368
+O=S(=O)(n1c2ccc(c(Cl)c2cc1C(F)F)C#N)c3ccccc3	763
+c1c2c(nc(-c3ccc(-c4cccnc4)c(OC)c3)o2)ccc1	4725
+c1cc(ccc1OCCN2CCCCC2)Oc3c4c(cc(OC)cc4)ccc3-c5c(F)c(F)ccc5	368
+FC(F)(F)Sc1ccc(cc1)Nc2ccc3cc(ccc3c2[N+](=O)[O-])C=C	9269
+c1(C)cccc(Sc2ccc(C)cc2[N+]([O-])=O)c1	2255
+c1(ccc(cc1[N+]([O-])=O)C)Sc2cccc(N)c2	2255
+c1cc(ccc1Sc2ccc(cc2[N+]([O-])=O)C)O	2255
+c1cc(ccc1NC(=O)C)Sc2ccc(cc2[N+]([O-])=O)C	2255
+c1(c(cc(Cl)c(C)c1[N+]([O-])=O)C(=O)C)-c2cc(F)ccc2	368
+c1ccccc1COc2c(ccc(-c3c(-c4c(C)cccc4)ccc(C(=O)OC)n3)c2)Cl	9270
+c1cc(ccc1-c2nc(N)nc3-c4c(cccc4C(=O)c23)-c5cc(F)ccc5)F	368
+c1cc(ccc1S(=O)(=O)OCC2Oc3c(CC2)cccc3-c4cc(ccc4Cl)Cl)C	368
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C)c(c(c3)C)-c4c(C)cncc4C	9271
+N1(CC(c2cc(ccc2)N)CCC1)CC3COc4c(cccc4)O3	9272
+c1c(Cl)c(c(cc1-c2ccc(cc2)O)Cl)CC3CCN(C3=O)C4CCCCC4	368
+c1cc(ccc1-c2c(C)nc(c(C(N)=O)n2)C)-c3c(Cl)cc(CC(=O)OCC)c(C)c3	368
+CC(C)n1ncc2c(C(=O)OCC)cc(-c3cccc(CO)c3)nc12	4726
+FC(F)(F)S(=O)(=O)Oc1ccc2C(CCCc2c1)O	74
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(N)c2cc1	18
+O=C(OCC)Cc1c2cc(C#N)ccc2ccc1Cl	763
+c1c2c(cc(C#N)cc2)cc(OC)c1	763
+c1(n2c(nn1)ccc(-c3cnn(C)c3)n2)Sc4cc5c(nccc5)cc4C	4583
+C(Cc1c2c(ccc1Cl)cc(C#N)cc2)(OCC)=O	763
+c1ccccc1CN2C3(CC3)CN(c4cc(CC(=O)OCC)c5ccccc5c4)CC2	908
+c1cc(ccc1[N+]([O-])=O)-c2cc(C)c(C(=O)C)cc2	368
+c1(C=O)cc(Cl)c(cc1)-c2cc(ccc2)C#N	368
+c1ccccc1Cc2c(OC)ccc(-c3ccc(CCC#N)cc3CC(C)C)c2	368
+C(OC)CCOc1cc(CCC(OCC)=O)ccc1-c2cnccc2	4725
+c1cc(ccc1-c2c(cc(CCC(OCC)=O)cc2)OCCCOC)C=O	368
+FC1(F)CCN(c2cc(c(N3C=C(C(C(c4n(-c5ccccc5)ncc4)=N3)=O)OC)cc2)F)C1	908
+c1cc(ccc1-c2ccc(cc2)-c3c4c(cccc4)oc3Cc5ccccc5)C=O	368
+c1cc(ccc1-c2ccc(cc2)C#N)N3C4C(CN(C(OCc5ccccc5)=O)C4)CC3	908
+c1cc(ccc1-c2ccc(cc2)-c3c(ccnc3)NC(=O)OC(C)c4c(cccc4)Cl)C5(CC5)C(O)=O	368
+c1cc(ccc1N2CCCN(CC2)c3oc(C)nn3)-c4cc5c(cccc5C#N)c(O)n4	908
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)C(=O)O	9273
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)N	0
+c1cc(C#N)c(Cl)cc1CC(OC)=O	763
+c1cc(ccc1)C#Cc2c(cc(cc2)[N+](=O)[O-])NC(=O)CCC	9274
+C(OCC)(Cc1cc(OC)c(cc1)C#N)=O	763
+FC(F)(F)S(=O)(=O)Oc1ccc(C=C(C(O)=O)OC)cc1OCCCC	127
+C1CC(c2ccc(C#N)c(c12)Br)=O	763
+c12CCC(CC(OC)=O)c1ccc(C#N)c2C	763
+FC(F)(F)S(=O)(=O)Oc1cc2c(C(CCC2)N=[N+]=[N-])cc1	841
+C(NC1C(Cc2cc(c(cc2)Cl)Cl)c3cc(ccc3CC1)C#N)(OCC)=O	763
+CC1(C)C(N(c2cc(ccc2N(CC)C1=O)C#N)C)=O	763
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(o2)ccc(-c4cccc(C#N)c4)c3	368
+c1cc(ccc1F)-c2c(c3c(ccc(c3)-c4cc(ccc4)C(O)=O)o2)C(NC)=O	368
+c1c2CC(C(OC)=O)CCc2ccc1C#N	763
+c1cc(ccc1O)-c2cc3cccc(c3cc2)C(OCC)=O	368
+c1cc(ccc1OC)-c2ccc3c(ccc(c3)OC)c2CC=C	368
+C1CN(CCC1)CCOc2ccc(cc2)C(c3c4c(cc(OS(=O)(=O)C)cc4)ccc3-c5ccc(cc5SC)F)=O	368
+Nc1cc2cc(Oc3ccnc4c3cc(c(OC)c4)OC)ccc2cc1	9275
+c1(c(F)ccc(F)n1)-c2cc(ncc2Cl)F	9276
+c1ccccc1-c2cc3c(c4ccccc4c5ccccc35)cn2	4726
+FC(F)(F)S(c1cc(c(O)cc1)NC(=O)c2c(S(=O)(=O)CC)cccn2)=O	772
+FC(F)(F)S(=O)c1ccc(c(N)c1)O	0
+FC(F)(F)S(=O)c1ccc(c(c1)[N+](=O)[O-])O	31
+FC(F)(F)Sc1c(cccc1)C#Cc2ccccc2	129
+FC(F)(F)Sc1c(I)cccc1	158
+FC(F)(F)Sc1cc(cc(Br)c1)C(C)(C)C	480
+FC(F)(F)Sc1cc2c(n(cn2)C)nc1	3713
+CC(C)(C)c1cc(cc(c1)C#N)SC(F)(F)F	180
+FC(F)(F)Sc1ccc(nc1)NC	70
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(Cc3ccnc(n3)N)C2=O	1408
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(Cc3nc(NC(=O)Oc4ccccc4)ncc3)C2=O	4331
+FC(F)(F)Sc1ccc(cc1)N2C(=O)N(C(C)(C)C2=O)Cc3ccnc(c3)N	1670
+FC(F)(F)Sc1ccc(cc1)N2C(N(C(C)(C)C2=O)Cc3cc(NC(C)=O)ncc3)=O	1153
+FC(F)(F)Sc1ccc(cc1)Nc2ccc3c(ccc(c3)C=C)c2N	0
+FC(F)(F)Sc1cc(c(NC)nc1)N	3982
+FC(F)(F)C(O)c1ccc(Cl)c2nc3N(CCCn3c12)c4ccc(cc4C)C#N	4658
+FC(F)(F)C(O)c1ccccc1-n2cncc2	714
+FC(F)(F)C(CC1(C)c2cc(SC)ccc2OCC1)O	1634
+FC(F)(F)C(c1cc(C)c(c(c1)C)C#N)(O)C(c2ccc(OC)cc2Cl)C	1379
+FC(F)(F)C(CC1CCc2ccccc2O1)O	1634
+FC(F)(F)C(c1cc2c(cc1F)OCC(N2C)=O)(C(C)c3ccc(Br)cc3Cl)O	1379
+FC(F)(F)C(c1ccc2c(N(C)C(=O)CO2)c1)(O)C(c3c(cc(cc3)Br)Cl)C	1379
+FC(F)(F)C(O)c1ccc(cc1)-c2ccncc2	714
+FC(F)(F)C(C)(c1ccc(cc1)C#N)O	1379
+FC(F)(F)C(CN1C(=O)N(CC(OC)=O)N=C1c2ccc(cc2)Cl)O	1634
+FC(F)(F)C(O)c1ccc(cc1)[N+]([O-])=O	714
+FC(F)(F)C(c1ccc(Br)cc1-c2ccccc2)O	714
+FC(F)(F)C(c1c(cc(cc1)S(=O)(=O)C)-c2ccccc2)O	714
+FC(F)(F)C(C(C)(C)C(c1ccccc1)c2ccc3c(cnn3-c4ccc(cc4)F)c2)O	1634
+FC(F)(F)c1ccc(CN2C(=O)N3C=CC(c4ccc(cc4)Cl)=C(c5ccncc5)C3=N2)c(COC(C)=O)n1	174
+FC(F)(F)c1[nH]c2c(cccc2OCCN3CCN(CC3)c4cccc(N=[N+]=[N-])c4[N+]([O-])=O)n1	34
+FC(F)(F)c1cc2c([nH]1)ncc(CN)c2	388
+FC(F)(F)c1[nH]c2c(cc(CNC(=O)c3cnc(nc3)-c4cc(ccc4)OCC)cc2)c1	484
+FC(F)(F)c1[nH]c2c(c1)cc(CN)cc2	107
+FC(F)(F)c1[nH]c2ccc(Nc3nn4c(-c5ccc(cc5)S(=O)(=O)C)ccc4cn3)cc2n1	9277
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(O)=O)c1	3
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(=O)Nc4[nH]nnn4)c1	2004
+FC(F)(F)c1n(nc(C(=O)OCC)c1)Cc2c(ccc(Br)c2)OCc3ccccc3	309
+FC(F)(F)c1ccn(-c2ncc(cc2)C)n1	3889
+FC(F)(F)c1ccn(-c2cc(c3ccc(OC)c(Cl)c3n2)OCc4ccc(cc4)OC)n1	4348
+FC(F)(F)c1[nH]ncc1CO	536
+FC(F)(F)c1nn(cc1C(OCC)=O)-c2ccccc2	568
+FC(F)(F)c1nn(cc1C(OCC)=O)Cc2ccc(cc2)OC	309
+FC(F)(F)c1n[nH]cc1C=O	576
+FC(F)(F)c1c(-c2nc3cc(ccc3[nH]2)C(O)=O)c(Cl)ccc1	1
+FC(F)(F)c1cccc(c1-c2[nH]c3cc(C(=O)Nc4nc5c(cc4)cccc5)ccc3n2)Cl	330
+FC(F)(F)c1c(-c2c(c(cn2C)C(=O)O)C)cccc1	1
+FC(F)(F)c1c(cccc1)-c2nc3c(C)cccc3cc2CNCc4ccc(cc4)OC	249
+FC(F)(F)c1c(cccc1)-c2n(C)cc(C(Nc3ccc(cc3)S(=O)(=O)C)=O)c2C	246
+FC(F)(F)c1c(cccc1)-c2cccc3c2CC(CN)O3	18
+CC(C)(C)c1c(Cl)c(-c2[nH]c3cc(nc(OC)c3n2)-c4ccccc4C(F)(F)F)n(n1)C	4276
+FC(F)(F)c1cccnc1-c2cc([N+](=O)[O-])c(cc2)Br	31
+FC(F)(F)c1c(nccc1OC)-c2cnc(c(C(O)=O)n2)N	1
+FC(F)(F)c1c(-c2nc(C(Nc3ncccc3N4CCC(CC4)(C)N)=O)c(nc2)N)nccc1OC	12
+FC(F)(F)c1cc2c(NC(C(=O)N2O)=O)cc1-n3c(C)ncc3	4727
+FC(F)(F)c1cc(ccc1-n2cnc(C)c2)N	0
+FC(F)(F)c1cc(N)ccc1-c2cc(ccc2)Cl	11
+FC(F)(F)c1cc(ccc1Br)NC(=O)Nc2ccc(cc2)Oc3cc(Cl)ncn3	124
+FC(F)(F)c1c(Br)ccc(c1)NCC(O)=O	4
+FC(F)(F)c1cc([N+]([O-])=O)ccc1-c2ncc(C)cc2	4728
+FC(F)(F)c1nc(N)c(C(=O)NNC(Cc2ccccc2)=O)nc1Br	708
+FC(F)(F)c1c(Br)nc(C(=O)NN)c(n1)N	2100
+FC(F)(F)c1c(C(NO)=N)c(ccc1)F	181
+FC(F)(F)c1c(C#N)cc(N)cc1	623
+FC(F)(F)c1cc(ccc1C(N)=NO)C=C	253
+FC(F)(F)c1c(cc(c(c1)N)I)C#N	235
+FC(F)(F)c1c(ccc(c1)N2C(=O)N(C(CO)(C2=O)c3ccc(cc3)C#N)C)C#N	4729
+FC(F)(F)c1c2ccn(C(C)c3cc(C#N)ccc3)c2ccc1C#N	4573
+FC(F)(F)c1c2cc(n(C(CO)C)c2ccc1C#N)C	95
+FC(F)(F)c1c(C#N)ccc2c1cc(C)n2C(C)CS(=O)(=O)C	991
+FC(F)(F)c1ccccc1C(=O)Nc2c(cn(n2)-c3c(cccc3)Cl)Cl	330
+FC(F)(F)c1ccccc1C(Nc2cc3c(c(c2)C(OC)=O)nc[nH]3)=O	50
+FC(F)(F)c1ccccc1C(NCC2(CC2)c3ncc(cn3)C)=O	93
+FC(F)(F)c1c(cn(C)n1)C(=O)NC(C(NC)=O)CN	12
+FC(F)(F)c1c(C(=O)NCCC(=O)Nc2ccc(cc2)C3CCC(CC3)CC(O)=O)nc(o1)-c4c(Cl)cccc4Cl	4
+FC(F)(F)c1ncccc1-c2nnc(-c3cc(c(c(OC)c3)OC)[N+]([O-])=O)o2	9278
+FC(F)(F)c1n(C)c2cc(ccc2c1C(NC)=O)OC	56
+FC(F)(F)c1cc(ccc1C(O)=O)I	158
+FC(F)(F)c1nn(cc1C(N(C2CCN(CC2)c3nnc(c(C)c3C)-c4ccc(cc4)F)C)=O)Cc5ccc(cc5)OC	1020
+FC(F)(F)c1c(cnc(N)n1)CO	9279
+FC(F)(F)c1nccc(N)c1C(=O)OC	912
+FC(F)(F)c1nc(ncc1C(=O)O)Nc2c(Cl)cc(cc2)Cl	1
+FC(F)(F)c1ccc2c(n1)nc(c(C(O)=O)c2)C(F)(F)F	6
+FC(F)(F)c1ccncc1C(C(C)C)O	1372
+FC(F)(F)c1c(C(=O)C)cnc(N2CCn3c(C2C(C)C)nc4cc(COC(C)=O)c(cc34)S(=O)(=O)C)n1	117
+FC(F)(F)c1c(cccc1)C(N2CCNCC2)=O	25
+FC(F)(F)c1c(C(N2CCN(CC2)c3ncc(s3)C(=O)NC)=O)cccc1	454
+FC(F)(F)c1c(C(N2CCN(CC2)c3sc(C(O)=O)cn3)=O)cccc1	1
+FC(F)(F)c1c(C(=O)NC(CNC(OC(C)(C)C)=O)C(=O)NC)cn(C)n1	248
+FC(F)(F)c1c(oc(n1)-c2ccccc2)C(=O)Nc3cnc(N4CC(=O)N(CC4)Cc5ccccc5)cc3	9280
+FC(F)(F)c1c(C(=O)C)cnc(Nc2cccc(Cl)c2)n1	4133
+FC(F)(F)c1cc(ncc1C(=O)O)Nc2ccc(cc2Cl)Cl	1
+FC(F)(F)c1c(CO)n(cc1)-c2ccc(cc2)Cl	398
+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4c(nc3)cnc(COS(=O)(=O)C)c4)C)cccc1	7
+FC(F)(F)c1c(C(Oc2c(C(N)=O)sc(-n3c4c(cnc(CO)c4)nc3)c2)C)cccc1	35
+FC(F)(F)c1cccc(c1C)Cc2c(N)n[nH]c2N	4037
+FC(F)(F)c1c(C)c(Cn2c3cc(cc(c3nc2CF)Br)N)ccc1	0
+FC(F)(F)c1c(c(ccc1)Cn2c3c(c(Br)cc(c3)N)nc2C(F)F)C	0
+c1cc(ccc1)C(c2ccccc2)=Nc3c(C)c(c(C#N)cc3)C(F)(F)F	9281
+FC(F)(F)c1c(cc2N=C3C(N(CCCCCCC(OCC)=O)c2c1)=NC(O)=NC3=O)C	9282
+FC(F)(F)c1ncc(cc1C)C(=O)O	1
+FC(F)(F)c1cc2N(CCCC(c2cc1C)N=[N+]=[N-])C(=O)OC(C)(C)C	841
+FC(F)(F)c1c(cc(I)c(N)c1)C	184
+FC(F)(F)c1c(ccc(NCCCCCCC(OCC)=O)c1)C	601
+FC(F)(F)c1nc2ccc(nn2c1C)C=O	1436
+FC(F)(F)c1c(C)nc(cc1)Oc2cccc(CP(OCC)(OCC)=O)c2	1060
+FC(F)(F)c1c(nc(cc1)Oc2cc(C=C3CCC4(OCCO4)CC3)ccc2)C	846
+CC(C)(C)OC(=O)N1CC=C(CC1)c2c(C(F)(F)F)cccc2	252
+FC(F)(F)c1c(cccc1)C2CCNCC2	25
+FC(F)(F)c1ccc(Cl)cc1CC2C(=O)c3cc(c(N4CCOCC4)cc3C2)OC	4730
+FC(F)(F)c1cccc2[nH]ccc12	4526
+FC(F)(F)c1c(C(C(OCC)C(N2C(=O)OCC2Cc3ccccc3)=O)O)ccc(OCc4ccccc4)c1	4731
+FC(F)(F)c1c(C=O)ccc(c1)NC(=O)c2ccc(C)c(Br)c2	50
+FC(F)(F)c1cc(Nc2ccc(cc2Cl)Cl)ncc1CNCc3ccc(cc3)F	249
+FC(F)(F)c1c(ccc(c1)C(=O)OC)CNC	370
+FC(F)(F)c1cc(I)ccc1Cn2ccc(NC(c3c(cccc3F)F)=O)n2	309
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(c4cc(c(s4)OC)-c5ccnn5C)=O	227
+FC(F)(F)c1ccccc1CC(NC(=O)c2sc(c(-c3c(cnn3C)F)c2)Cl)CN4C(c5ccccc5C4=O)=O	227
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(c4c(n(C)c(-c5ccnn5C)c4)Cl)=O	56
+FC(F)(F)c1ccccc1CC(NC(c2scc(c2)-c3n(nc(Cl)c3CC)C)=O)CN4C(c5ccccc5C4=O)=O	227
+FC(F)(F)c1cc(ccc1CC2CCCCC2)CO	49
+FC(F)(F)c1[nH]c2c(Br)cccc2c1CCCO	44
+FC(F)(F)c1nn(CC(=O)Nc2c(c3c(CCCC3)s2)C(=O)N)cc1CCNC	285
+FC(F)(F)c1c(CN2CCN(CC2)CC)ccc(c1)NC(=O)Cc3c(cc(Br)cc3)F	33
+FC(F)(F)c1c(ccc(N2CCOCC2)c1)CN3CCN(C(ON4C(CCC4=O)=O)=O)C(C)(C)C3	613
+FC(F)(F)c1c(ccc(NC(c2ccc(C)c(-c3cc4cnncc4cc3)c2)=O)c1)CN5CCOCC5	2256
+FC(F)(F)c1c(C=O)cnc(Nc2ccc(cc2Cl)Cl)c1	200
+FC(F)(F)c1c(cnc(n1)Nc2cccc(Cl)c2)C=O	1195
+FC(F)(F)c1c(n(-c2ccc(cc2)Cl)cc1)COc3c(cc(cc3F)CCC(OCC)=O)F	20
+FC(F)(F)c1c(Cl)c(ncn1)-c2c(cc(c(O)c2)Cl)F	5
+FC(F)(F)c1c(Cl)c(-c2cc(c(cc2F)Cl)OC)ncn1	198
+FC(F)(F)c1cnc2c(c(NC(=O)c3nccnc3)c[nH]2)c1Cl	1285
+FC(F)(F)c1cc2c(c([N+]([O-])=O)c1Cl)n(c(C)n2)CC	4732
+FC(F)(F)c1cc(C=2C=C(O)C(=O)N(C=2)C(C)C)ccc1Cl	4733
+FC(F)(F)c1c(Cl)ccc(Oc2ccc(cc2C#N)C=O)c1	46
+FC(F)(F)c1cc(Oc2ccc(cc2)C=O)ccc1Cl	46
+FC(F)(F)c1c(Cl)ccc(c1)Oc2c(C#N)cc(CO)cc2	41
+FC(F)(F)c1cc(C(=O)O)ccc1-c2ccccc2	667
+FC(F)(F)c1c(nc(Cl)nc1)NC	40
+FC(F)(F)c1c(nc(nc1)SC)Cl	1721
+FC(F)(F)c1c(Cl)nc(nc1)Nc2ccc(cc2)C(=O)OCc3ccccc3	55
+FC(F)(F)c1c(Cl)nc(Nc2ccc(OC)nc2)nc1	949
+FC(F)(F)c1c(Cn2c3ccc(cc3c(n2)-c4ccc(cc4)F)C=O)ccc(Cl)c1	1624
+FC(F)(F)c1cccc(C(c2ccc(cc2)OC)=O)c1F	705
+FC(F)(F)c1c(F)c(Cl)cc(I)c1	158
+FC(F)(F)c1c(c(F)c(c(F)c1F)-n2nccc2N)F	2257
+FC(F)(F)c1c(F)c(F)c(c(F)c1F)-n2c(NC(=O)C)c([N+]([O-])=O)cn2	4734
+FC(F)(F)c1c(F)c(C(N(OC)C)=O)ccc1	280
+FC(F)(F)c1c(cc(C(N2C(c3c(C2=O)cccc3)=O)CN(C(=O)OC(C)(C)C)C)cc1)F	2131
+FC(F)(F)c1c(F)cc(cc1)C2CN(C(N3CCSCC3)=O)CC(C2)C(O)=O	4
+FC(F)(F)c1ccc(CC(Nc2c(nc(NCc3ccc(cc3)F)cc2)N4CCCC4)=O)cc1F	469
+FC(F)(F)c1ccc(C(C(Nc2sccn2)=O)CC3CCCC3)cc1F	373
+FC(F)(F)c1ccc(cc1F)C2CN(C(=O)N3CCSCC3)CC(c4nc(OCC)no4)C2	4090
+FC(F)(F)c1c(F)cc(cc1)CN(C2C(c3cc(F)c(cc3)Cl)CN(Cc4ccccc4)C2)C	48
+FC(F)(F)c1ccc(cc1F)CN(C2C(CNC2)c3cc(c(cc3)Cl)F)C	25
+FC(F)(F)c1c(cc(cc1F)CCC2NCCCc3n(nc(C)c23)CC)F	2967
+FC(F)(F)c1cc2c(cn(c2cc1F)C)CN3C(C4=CC=C(n5cc(nc5)C)C(=O)N4CC3)=O	3055
+FC(F)(F)c1c(ccc(-c2cnc([nH]2)N3CCN(CC3)c4ncnc5c4c[nH]n5)c1)F	1577
+FC(F)(F)c1c(F)ccc(c1)Oc2c(C#N)cc(CO)cc2	41
+FC(F)(F)c1c(F)ccc(c1)Oc2c(cc(CSc3nc(O)c(cn3)Cc4cnc(nc4)OC)cc2)C#N	3561
+FC(F)(F)c1c(cc2c(NC(CC(=N2)c3cc(ccc3)-c4onc(C)c4)=O)c1)N5CCSCC5	1222
+FC(F)(F)c1c(NC(Nc2ccc(c(S(=O)(=O)N(C)C)c2O)Cl)=S)cccc1	773
+FC(F)(F)c1c(c(ccc1)C(Nc2ccccc2)=O)N=[N+]=[N-]	67
+FC(F)(F)c1c(cnc(n1)Nc2cccc(Cl)c2)N	4208
+FC(F)(F)c1c2NC(c3cccnc3N(CC)c2nc(C)c1)=O	4735
+FC(F)(F)c1cc(ccc1N2C(=NNC2=O)CC3CCN(C3)C(=O)C4CC4)Br	2585
+FC(F)(F)c1ccccc1NC2CCN(CC2)C(=O)CNC(c3ccc(cc3)Nc4ccccc4)=O	10
+FC(F)(F)c1c(cc2c([nH]cc2)c1)OC	9283
+FC(F)(F)c1ccc(C(=O)N(C)OC)cc1OC	280
+FC(F)(F)c1c(cc2c(cn(C)c2c1)C)O	5
+FC(F)(F)c1c(nc(C(OC)=O)c(-n2c(C)ccc2C)c1)O	104
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(N)c1)OCC	0
+FC(F)(F)c1c(OCC)ccc(-c2nc(c(c(c2)N)N)C#N)c1	13
+FC(F)(F)c1cc(ccc1OCC2CCN(CC2)C)N	0
+FC(F)(F)c1cc(ccc1OCCCCCCC)CP(OCC)(OCC)=O	1060
+FC(F)(F)c1cc(ccc1OCCO)-c2nc(C#N)c3ncn(C)c3c2	1165
+FC(F)(F)c1c(ccc(c1)-c2nc(C#N)c3ncn(C)c3c2)OCOCCOC	1165
+FC(F)(F)c1cccc(O)c1Oc2ccccc2	5
+FC(F)(F)c1c(cccc1)S(=O)(=O)Nc2c(-c3ccc(cc3)CO)nccn2	696
+FC(F)(F)c1c(ccc(C(CC2CCCC2)C(Nc3ncc(cc3)[N+](=O)[O-])=O)c1)SC	142
+FC(F)(F)c1ccc(cc1[N+](=O)[O-])-c2cn3c(ccc(c3)Br)n2	440
+FC(F)(F)c1ccc(cc1[N+](=O)[O-])-c2cn3nc(Cl)ccc3n2	1749
+FC(F)(F)c1c(nc(cc1)Cl)Cl	174
+FC(F)(F)c1c(c(ccc1)Br)N	106
+FC(F)(F)c1nn(-c2ccc(cc2)CCO)c(C)c1-c3ccccc3	800
+FC(F)(F)c1cc(C=CC(=O)N2C(COC2=O)Cc3ccccc3)cc(c1N)Cl	2632
+FC(F)(F)c1c(-c2ccc(cc2)S(=O)(=O)N3CCOCC3)c(Cl)cc(N)c1	11
+FC(F)(F)c1c(C(=O)n2c3c(c(ccc3)F)c(I)n2)c(Cl)ccc1	9284
+FC(F)(F)c1cccc(c1CO)Cl	98
+FC(F)(F)c1c(c(ccc1)Cn2c3c(nc2C(F)F)c(cc(c3)N4CCOCC4)C(O)=O)C	1
+FC(F)(F)c1c2C(N(C(c3c(OC)cccc3)Nc2ccn1)C(Cc4ccccc4)C)=O	4736
+FC(F)(F)c1cccc(N2CC(CC2)OCC#C)c1CN3CCNCC3	2
+FC(F)(F)c1c(Oc2ccccc2)c(ccc1)OC	46
+FC(F)(F)c1ccc(OCc2ccccc2)c3c1cc(C(OCC)=O)[nH]3	3056
+FC(F)(F)c1c(c(C#N)cc(-n2c(nc(C)c2)C)c1)N	3057
+FC(F)(F)c1cc(cc(c1N)Cl)CO	49
+FC(F)(F)c1cc(cc([N+](=O)[O-])c1N)Cl	106
+FC(F)(F)c1c(C)c(ccc1)Cn2c3c(c(Br)cc([N+](=O)[O-])c3)nc2C(F)F	505
+FC(F)(F)c1c(C)c(Cn2c3c(c(cc([N+](=O)[O-])c3)Br)nc2CF)ccc1	505
+FC(F)(F)c1c(c(CN2C(C(=CN(C2=O)c3ccc(cc3)N4CCOC4=O)C#N)=O)ccc1)C	1819
+FC(F)(F)c1c(C)c(ccc1C#N)N	685
+FC(F)(F)c1cc2c3c(CCC(P(OCC)(OCC)=O)N3C(C(=O)N2)=O)c1N	0
+FC(F)(F)c1c(CCCOc2cc(C)c(c(c2)C)Cl)c3cccc(c3n1CC(=O)O)-c4c(C)nn(C)c4C	3
+FC(F)(F)c1ccc(C#Cc2nnc(OCc3ccccc3)c(c2)OCc4ccccc4)cc1C	455
+FC(F)(F)c1c(F)cc(cc1)C(C(=O)O)CC2CCCC2	4
+FC(F)(F)c1cc(NC(=O)c2cnc(F)cc2)c(Cl)cc1Br	971
+FC(F)(F)c1cc2c(N=C(CC(=O)N2)c3cccc(c3)-c4ccnn4C)cc1N(C)C	690
+FC(F)(F)c1c(cc(c(NC(=O)CC(c2cc(-c3ccc(OC)nn3)ccc2)=O)c1)N)N(C)C	78
+CC(C)(C)OC(=O)Nc1cc(N(C)C)c(C(F)(F)F)cc1N	0
+FC(F)(F)c1c(C)cc(c(c1)NCCCCCCC(OCC)=O)N	0
+FC(F)(F)c1c(cc2nc(ccc2c1)O)F	9285
+FC(F)(F)c1cc2c(cc1N(C)C)N=C(c3cc(ccc3)-c4nnc(cc4)OC)CC(=O)N2	1222
+FC(F)(F)c1c(cc2N=C(CC(=O)Nc2c1)c3cc(ccc3)-c4onc(C)c4)C	690
+FC(F)(F)c1cc(c(cc1C)C#N)N	0
+FC(F)(F)c1c(C#N)cc(I)c(NS(=O)(=O)C)c1	80
+FC(F)(F)c1c(N2CCSCC2)cc(N)c(c1)NC(CC(=O)c3cccc(-c4cc(no4)C)c3)=O	78
+FC(F)(F)c1ccc(cc1Nc2c(-c3ccncn3)cccn2)C(=O)O	6
+FC(F)(F)c1c(cc(cc1F)CCC(OCCCC)=O)F	159
+FC(F)(F)c1c(F)cc(cc1F)CCC(NCCCc2cc(C)nn2CC)=O	9
+FC(F)(F)c1c(cc(cc1F)CCC(O)=O)F	1317
+FC(F)(F)c1c(C)cc(C=O)cn1	200
+FC(F)(F)c1c(F)cc2c(c1)N(C(CC2=NO)C)C(=O)OC(C)C	189
+FC(F)(F)c1cc2NCCc2cc1OC	931
+FC(F)(F)c1c(cc2cc([nH]c2c1)C(CSCC)(C)O)C#N	2550
+FC(F)(F)c1c(F)ccc(-c2c[nH]c(n2)N3CCNCC3)c1	25
+FC(F)(F)c1cc(-c2cc3n(nnc3c(C#N)n2)C)ccc1OCC4CN(c5ccccn5)CC4	262
+FC(F)(F)c1c(ccc(-c2cc3n(nnc3c(C#N)n2)C)c1)O	2986
+FC(F)(F)c1c(OCCO)ccc(B(O)O)c1	168
+FC(F)(F)c1cc(C#N)ccc1Oc2c(OC)cc(C=O)cc2	46
+FC(F)(F)c1cc(C(=O)O)ccc1N2CCCCC2C	872
+FC(F)(F)c1cc(C(C(OCC)=O)CC(C)C)ccc1[N+]([O-])=O	4475
+FC(F)(F)c1c(-c2noc(c2)CC(=O)O)ccc(C3CC3)c1	9286
+FC(F)(F)c1c(ccc(CC(=O)Nc2c(Cl)ccc3C(N(C=Cc23)CCO)=O)c1)F	59
+FC(F)(F)c1cc(ccc1N)N(c2cc3oc(c(C(NC)=O)c3cc2C4CC4)-c5ccc(cc5)F)S(=O)(=O)C	0
+FC(F)(F)c1cc(ccc1N)N2CCOCC2	0
+FC(F)(F)c1c(ccc(NC(Nc2ccc(cc2)Oc3ncnc(-n4ncnc4)c3)=O)c1)Cl	124
+FC(F)(F)c1c(ccc(NC(Nc2ccc(cc2)Oc3ncnc(SC)c3)=O)c1)Cl	124
+FC(F)(F)c1cc(N2C(C3(CCN(CC3)C)N(c4ccc(cc4)C)C2=S)=N)ccc1C#N	9287
+FC(F)(F)c1c(ccc(NC(NCCCN(C(C)C)CC2C(O)C(O)C(n3c4ncnc(N)c4nc3)O2)=O)c1)Cl	265
+FC(F)(F)c1c(ccc(c1)NC(OCc2ccccc2)=O)CCF	559
+FC(F)(F)c1c(cc([N+]([O-])=O)c(NCCCCCCC(OCC)=O)c1)C	77
+FC(F)(F)c1nc(O)ccc1[N+]([O-])=O	104
+FC(F)(F)c1c(ccc(Oc2c(Cl)cc(C(=O)NS(=O)(=O)C)c(F)c2)c1)Cl	258
+FC(F)(F)c1c(Cl)ccc(S(=O)(=O)Nc2c(C=O)ncc(c2)Cl)c1	2258
+FC(F)(F)c1c(ccc(S(=O)(=O)Nc2c(ncc(c2)Cl)C(c3c(ccc(c3)-n4nccc4)Cl)=O)c1)Cl	2258
+FC(F)(F)c1cc(ccc1OCCOCc2ccccc2)[N+]([O-])=O	57
+FC(F)(F)c1c(ccc(-c2cc3n(nnc3c(C#N)n2)C)c1)OCCCO	2259
+FC(F)(F)c1c(ccc(-c2cc3n(nnc3c(C#N)n2)C)c1)OCOCCOC	2259
+FC(F)(F)c1cc(ccc1OCCCOS(=O)(=O)C)-c2cc3c(ncn3C4CCCCO4)c(C#N)n2	7
+FC(F)(F)c1cc(ccc1OCCCOS(=O)(=O)C)-c2nc(C#N)c3ncn(C)c3c2	7
+FC(F)(F)c1c(ccc(c1)-c2cc3n(C)cnc3c(C#N)n2)O	2986
+FC(F)(F)c1cc(N2C(C(NC2=O)(COCC=C)c3ccc(cc3)C#N)=O)ccc1C#N	4737
+FC(F)(F)c1cc(N2C(=O)NC(c3ccc(cc3)F)(COCC=C)C2=O)ccc1C#N	4737
+FC(F)(F)c1c(ccc(N(S(=O)(=O)C)c2cc3oc(c(C(NC)=O)c3cc2C4CC4)-c5ccc(cc5)F)c1)[N+]([O-])=O	3058
+FC(F)(F)c1cc(ccc1F)NC(=O)c2c3ccc(cc3ccc2)Oc4ccnc(N)n4	67
+FC(F)(F)c1cc(Nc2nc(cc(O)n2)CCC)ccc1F	1334
+FC(F)(F)c1c(OCCOCc2ccccc2)ccc(c1)NC(=O)Cc3c(cc(cc3F)Br)F	26
+FC(F)(F)c1cc(N2CCOCC2)ccc1Nc3c4c(ccc(c4)-c5cccs5)ncn3	1373
+FC(F)(F)c1c(ccc(N)c1)CCF	890
+FC(F)(F)c1c(ccc(c1)Nc2ncnc(NN)n2)F	4196
+FC(F)(F)c1cc(OCc2nc(-c3c(F)cccc3)oc2C)ccc1CC(C(OC)=O)OCC	547
+FC(F)(F)c1cc(OC)ccc1Nc2ccc(c(F)c2)C#N	230
+FC(F)(F)c1cc(OC)ccc1Nc2ccc(cc2)C#N	230
+FC(F)(F)c1cc(S(=O)(=O)N(c2cc(cnc2C(O)c3cc(ccc3Cl)-n4cccn4)Cl)COC)ccc1Cl	3059
+FC(F)(F)c1c(ccc(S(=O)(=O)N(COC)c2cc(Cl)cnc2C(c3cccc(C)c3Cl)=O)c1)Cl	4564
+FC(F)(F)c1c(ccc(S(=O)(=O)Nc2nccnc2C(=O)O)c1)Cl	1
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)NC(=S)N)Cl	1099
+FC(F)(F)c1c(ccc(S(=O)(=O)c2ccc(cc2)N)c1)Cl	0
+FC(F)(F)c1cc(cc(Cl)c1N)[N+](=O)[O-]	196
+FC(F)(F)c1c(OC)ccc(N)c1	0
+FC(F)(F)c1c2c(ccc1C#N)n(Cc3oc(nn3)-c4cncc(Br)c4)c(CC)c2	9288
+FC(F)(F)c1c(-c2c3c(OC(C3)CN=[N+]=[N-])ccc2)cccc1	4738
+FC(F)(F)c1ccccc1-c2c(cc(cc2)C(=O)O)OCC	1
+FC(F)(F)c1ccccc1-c2c(cc3c(c(ccc3)C)n2)CN	2260
+FC(F)(F)c1c(cccc1)-c2nc3c(cccc3C(=O)Nc4cc(ccc4)OCC(CO)O)[nH]2	265
+FC(F)(F)c1ccccc1C2(CCN(CC2)Cc3ccccc3)O	251
+FC(F)(F)c1c(cccc1)C(N2CCN(CC2)c3cc([N+](=O)[O-])c(cc3)N)=O	9289
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3ccc(cn3)N	13
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3ncc(cc3)NC(=O)CCc4ccccc4	308
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3cc(c(cc3)N)N	0
+FC(F)(F)c1c(C(=O)N2CCN(CC2)C(CNC(c3ccccc3O)=O)=O)cccc1	10
+FC(F)(F)c1c(C(N2CCN(CC2)c3sc(cn3)C(OC)=O)=O)cccc1	641
+FC(F)(F)c1ccccc1C(N2CCN(CC2)c3nnc(N)cc3)=O	212
+FC(F)(F)c1c(cccc1)C(Oc2cc(sc2C(OC)=O)-n3c4cc(ccc4nc3)CSC)C	1672
+FC(F)(F)c1c(cccc1)C(Oc2c(C(OC)=O)sc(-n3c4c(ccc(CCl)c4)nc3)c2)C	2845
+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4cc(ccc4nc3)CSC)C)cccc1	1355
+FC(F)(F)c1c(C(Oc2cc(-n3c4c(cnc(c4)CO[Si](C)(C)C(C)(C)C)nc3)sc2C(N)=O)C)cccc1	1355
+FC(F)(F)c1ccccc1C2CCN(CC2)C(c3ccc(nn3)Cl)=O	147
+FC(F)(F)c1ccccc1-c2nc3c([nH]2)cccc3C(O)=O	622
+FC(F)(F)c1c(CC(N)CN2C(c3c(cccc3)C2=O)=O)cccc1	12
+FC(F)(F)c1ccccc1CCC2NCCNC2	25
+FC(F)(F)c1c(cccc1)COC2CNC2	2
+FC(F)(F)c1c(cccc1)COC2CN(C2)c3ccc(nn3)C(=O)NN	1726
+FC(F)(F)c1c(cccc1)COC2CN(C2)c3ccc(C(OC)=O)nn3	212
+FC(F)(F)c1c(cccc1)S(=O)(=O)Nc2nccnc2-c3ccc(cc3)CN(C)c4ccccc4	2786
+FC(F)(F)c1c(cccn1)-c2ccc3n(n2)cc(-c4cc(c(cc4)C)N)n3	0
+FC(F)(F)c1c(cccn1)-c2ccc3nc(cn3n2)-c4ccc(c(NC(=O)c5cccc(Br)c5)c4)C	50
+FC(F)(F)c1c(C(=O)NNC(=O)c2cc(OC)c(c([N+](=O)[O-])c2)OC)cccn1	4739
+FC(F)(F)c1nn(cc1CO)Cc2cc3c(C(CC3)NC(OCc4ccccc4)=O)cc2	536
+FC(F)(F)c1nc(N)ncc1C=O	1195
+FC(F)(F)c1nc(ncc1C(NCc2ccccc2)=O)Nc3cccc(Cl)c3	484
+FC(F)(F)c1c(C(O)C)cnc(Nc2cccc(Cl)c2)n1	4135
+FC(F)(F)c1c(cnn1-c2ccc(Cl)cc2Cl)C(=O)N	1356
+FC(F)(F)c1n(-c2ccc(Cl)cc2Cl)ncc1C#N	4740
+FC(F)(F)c1c(cnn1-c2c(Cl)cc(cc2)Cl)C(=O)O	6
+FC(F)(F)c1c(cnn1-c2cccc(-c3cc(F)ccc3C=Cc4ccc(cc4C)OC)n2)C(=O)OCC	1265
+FC(F)(F)c1c(cnn1-c2cccc(-c3cc(F)ccc3CCc4ccc(OC)cc4C)n2)C(=O)OCC	1442
+FC(F)(F)c1c(cnn1-c2cccc(-c3cc(F)ccc3CCc4c(cc(cc4)O)C)n2)C(=O)OCC	5
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(-c4ccc(cc4)C=O)n3	39
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(n3)-c4ccc(cc4)CO	9290
+FC(F)(F)c1n(ncc1C(=O)OCC)-c2nc(-c3ccccc3OCc4ccc(cc4)OCCOC)ccc2	22
+FC(F)(F)c1c(CC2CCC(CC2)(F)F)n3c(cc(cc3Cl)C(=O)O)n1	6
+FC(F)(F)c1ccc(nc1-c2ccc(cc2)OC)NCCCOc3ccc4C(CCc4c3)CC(=O)OCC	140
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	43
+FC(F)(F)c1c(nc(cc1)Oc2cc(ccc2)C=C3CCC(CC3)N)C	316
+FC(F)(F)c1c(nc(cc1)Oc2cc(C=C3CCC(CC3)=O)ccc2)C	97
+FC(F)(F)c1cnc(nc1I)SC	9291
+FC(F)(F)c1nc2c(nc1-c3c(Cl)cc(C(=O)O)cc3)ccc(c2)O	5
+FC(F)(F)c1cc(cnc1N2CCN(CC2)C(OCc3ccccc3)=O)NC(C)=O	9292
+FC(F)(F)c1c(ncc(c1)Br)N2CCN(CC2)C(OCc3ccccc3)=O	66
+FC(F)(F)c1c(nccc1)N2CCN(CC2)c3nc(Nc4ccc(cc4)C)cc(N5CCCCC5)n3	73
+FC(F)(F)c1scnc1-c2ccc3c(nccc3Cl)n2	9293
+FC(F)(F)c1c(noc1-c2nc(no2)-c3ccc(cc3)C(CN4CC(C(=O)O)CC(O)C4)O)-c5ccccc5	170
+FC(F)(F)c1c(oc(-c2ccccc2)n1)C(Nc3cnc(N4CCNC(C4)=O)cc3)=O	9294
+FC(F)(F)c1c(sc(CNC(=O)OC(C)(C)C)n1)C(N)=S	9295
+FC(F)(F)c1c2c(n(-c3ccc(cc3)C#N)n1)CCCC2	568
+FC(F)(F)c1nn(-c2ccc(cc2)CC(OCC)=O)c3c1CCCC3	901
+FC(F)(F)c1c2CCN(c3ccc(cc3)N4C(=O)CCCC4)C(=O)c2n(-c5ccc(c(c5)Cl)F)n1	883
+FC(F)(F)c1c2CCN(CC(NC)=O)Cc2n(CC(Nc3cc(ccc3OC)Cl)=O)n1	271
+FC(F)(F)c1nn(c2c1CCN(c3ccc(cc3)N4C(=O)CCCC4)C2=O)-c5ccc(c(c5)C#N)F	4741
+FC(F)(F)c1c2c(CCNC2)ccc1	318
+FC(F)(F)c1c2c(OCc3ccccc3)c(Br)ccc2nc(O)c1	22
+FC(F)(F)c1c2c(CC(C)(C)CC2=O)n(-c3cc(c(cc3)C#N)Br)n1	926
+FC(F)(F)c1c2c(nc(c1)OC(C)C)ccc(Br)c2O	16
+FC(F)(F)c1c2c(ccc1)c(cs2)C3CCNCC3	526
+FC(F)(F)c1c2c(c(ccn2)-c3cccc(C=O)c3)ccc1	699
+FC(F)(F)c1c2c(c(c(cc2)OCCCN(C)C(=O)Nc3nc(C)ccc3)CCC)on1	9296
+FC(F)(F)c1c2c(c(c(OCCCNC)cc2)CCC)on1	132
+FC(F)(F)c1c2c(ccc1)c(-c3cccc(c3)CNc4cccc5c(cccc45)CC(=O)O)ccn2	208
+FC(F)(F)c1c2c(c(n(Cc3c(cc(cc3F)F)F)n2)-c4cc(ccc4)C#Cc5cccc(C(NC)=O)c5)ccc1	14
+FC(F)(F)c1c2c(c(n(Cc3c(cc(cc3F)F)F)n2)-c4cc(ccc4)C#Cc5cccc(C(=O)O)c5)ccc1	6
+FC(F)(F)c1cccc2c(c(C(=O)OC)sc12)C3CCN(CC3)C(=O)C	58
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)N(OC)C	1012
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(c4)S(=O)(=O)CCCO)ccc3Cl)nc(C)nc12	304
+FC(F)(F)c1nn(c2c1CCCC2)-c3ccc(cc3)CN	107
+FC(F)(F)c1c2c(sc1)ncnc2Nc3ccccc3OC4CCOC4	1500
+FC(F)(F)c1c2cc(n(c2ccc1C#N)C(COS(=O)(=O)C)C)C	7
+FC(F)(F)c1c(C#N)ccc2n(C(CSC)C)c(cc12)C	786
+FC(F)(F)c1c2c(nc(O)c1)n3c(cc2)nc(C(NN)=O)c3	4742
+FC(F)(F)c1cc(cn2c(c(nc12)C(OCC)=O)Cl)-c3ccco3	9297
+FC(F)(F)c1cccn2c(-c3cc(Oc4cc(S(=O)(=O)C)ccc4)ccc3)c(nc12)C	46
+FC(F)(F)c1c2c(ccc1)c(c(C(O)=O)cn2)-c3ccccc3	6
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)c4cccc(C)c4	3060
+FC(F)(F)c1c[nH]c2nccc(Nc3ccc(N)cc3F)c12	0
+FC(F)(F)c1cc(-c2[nH]c(nc2)C3CCC(CC3)CNCC)ccc1	15
+FC(F)(F)c1cc(-c2[nH]c(nc2)C3CCC(CC3)CN)ccc1	102
+FC(F)(F)c1cc(-c2[nH]c(C3CCC(CC3)CNC(C)=O)nc2)ccc1	68
+FC(F)(F)c1cccc(-c2c(C)cc3c(c2Oc4ccc(cc4)C=O)ccc(OC)c3)c1	9298
+FC(F)(F)c1cc(-c2c(cc(cc2)NCc3c(cccc3F)F)F)n(C)n1	162
+FC(F)(F)c1cc(ccc1)-c2cc(C(NC)C)ccc2OCC(OC)=O	1607
+FC(F)(F)c1nc(-n2cnc(I)c2)nc(-c3cc(Cl)c(Cl)cc3)c1	937
+FC(F)(F)c1cc(-c2ccc(C=O)c(C)n2)ccc1	200
+FC(F)(F)c1nn(c(c1)-c2ccc(cc2)-c3cc(ccc3)S(=O)(=O)C)CC(O)=O	3
+FC(F)(F)c1cc(OC)c(CNc2ccc(-c3ccc(cc3)Cl)c(c2)Cl)c(c1)-c4ccc(cc4)C(OC)=O	208
+FC(F)(F)c1cc(-c2ccc(cc2)CCNS(=O)(=O)C)n(-c3ccc(cc3)Cl)n1	111
+FC(F)(F)c1cc(-c2ccc(cc2)CCN)n(-c3ccc(cc3)Cl)n1	45
+FC(F)(F)c1cc(-c2ccc(cc2)CCOS(=O)(=O)C)n(-c3ccc(cc3)Cl)n1	7
+FC(F)(F)c1cc(-c2ccc(cc2)CCN3C(=O)c4ccccc4C3=O)n(-c5ccc(cc5)Cl)n1	896
+FC(F)(F)c1cc(-c2ccc(cn2)N3CCN(CC3)C(OCC(NC)=O)=O)ccc1	271
+FC(F)(F)c1nccc(-c2cnc(C(Nc3nc(N4C(C(C)F)COC4=O)ccn3)C)cc2)c1	1333
+FC(F)(F)c1cccc(-c2cnn3c(nnc3n2)C)c1	4743
+FC(F)(F)c1c(ncc(-c2nc(c3c(n(nn3)C)c2)C#N)c1)OCCC4CCN(CC4)C(=O)OC(C)(C)C	2259
+FC(F)(F)c1c(ccc(-c2nc(NC(=O)c3ccc(cc3)Nc4ncnc(N(C)C)c4)sn2)c1)F	3875
+FC(F)(F)c1cccc(-c2nc3ccc(S(=O)(=O)C)cc3c(C(O)=O)c2CN4CCC(CC4)N5CCCCC5)c1	1
+FC(F)(F)c1cc(-c2nc3c(cc2)N4CCC(N3C(=O)Nc5cc(-c6cnco6)cc(-c7cnco7)c5)C4)ccc1	2792
+FC(F)(F)c1cc(-c2ncc(NC(c3cc(ccc3N)N4CCCCC4)=O)nc2)ccc1	0
+FC(F)(F)c1c(OCC)nc(c(c1)-n2c(C)ccc2C)C(=O)O	1
+FC(F)(F)c1cc(OC)c2c(n3c(c(C)nc3-c4c(cncc4)C)nn2)c1	2051
+FC(F)(F)c1cc(-n2cnc(C)c2)c(c(Cl)c1)N	0
+FC(F)(F)c1cc2c(c(c1)Cl)nnc3c(C)ncn23	2051
+FC(F)(F)c1cc(ccc1F)-c2nc(C=O)ccc2	119
+FC(F)(F)c1c(ccc(c1)-c2nc(C#N)c3ncn(C)c3c2)OCCCO	1165
+FC(F)(F)c1cc(B(O)O)ccc1OCCCO	168
+FC(F)(F)c1c(ccc(B(O)O)c1)OCCOC2CCCCO2	579
+FC(F)(F)c1cc(Br)c2ncc(C(OCC)=O)n2c1	9299
+FC(F)(F)c1cc(c2c(c1)NCC2)Br	931
+FC(F)(F)c1cc2c(scc2)c(c1)Br	1539
+FC(F)(F)c1cc(c2n(c1)c(cn2)C(O)=O)Br	6
+FC(F)(F)c1c(c(cc(N2Cc3c(CC2)cccc3)c1)Cl)NC(CCC4CCCC4)=O	79
+FC(F)(F)c1cc(Br)cc(N2CCN(CC2)C(C)=O)c1	58
+FC(F)(F)c1cc(Br)cc(N2CCNCC2)c1	2
+FC(F)(F)c1c(OCc2ccccc2)ccc(c1)Oc3ccc(cc3)OCC	304
+FC(F)(F)c1cc2cc[nH]c2cc1F	4574
+FC(F)(F)c1cc(c(-c2cc(S(=O)(=O)Cl)c(OC)cc2Cl)cn1)C#N	240
+FC(F)(F)c1cc(Oc2c(c(C)ccc2Cl)F)cc(c1)C#N	46
+FC(F)(F)c1c(ccc(C#N)c1)Oc2c(cc(cc2)C=C3C(=O)NC(=S)S3)OC	1149
+FC(F)(F)c1cc(C(NO)=N)nc(C(C)C)n1	958
+FC(F)(F)c1cc([N+](=O)[O-])cc(c1)C=O	760
+FC(F)(F)c1cc(C(NCC(NC2CCN(C2)C3CCN(C3)C(=O)OCc4ccccc4)=O)=O)ccc1	85
+FC(F)(F)c1cc(N)cc(c1)C(=O)Nc2cc(-c3n4c(cc(n4)-c5ccncc5)ncc3)ccc2	0
+FC(F)(F)c1cc(C(Nc2cc(NC(=O)c3cnc(SC)nc3N)c(C)cc2)=O)ccc1	9300
+FC(F)(F)c1c(ccc(-c2onc(-c3cc(c(S(=O)(=O)N)cc3)CC)n2)c1)-c4ccccc4	2185
+FC(F)(F)c1cc(-c2onc(n2)-c3cc4c(cc3)nc[nH]4)ccc1N5C(CCCC5)C	529
+FC(F)(F)c1cc(CO)ccc1OCCCCCCC	49
+FC(F)(F)c1nn(c(c1)CO)-c2ccc(cc2)[N+]([O-])=O	629
+FC(F)(F)c1cc(C(OC)=O)cc(c1)N	0
+FC(F)(F)c1cc(cc(c1)C(NN)=O)[N+]([O-])=O	296
+FC(F)(F)c1cc(ccc1-c2cscc2C)C(=O)O	1
+FC(F)(F)c1c(CC2CCCCC2)ccc(c1)C(=O)O	1
+FC(F)(F)c1c(ccc(c1)C(=O)O)CN2CCN(CC2)C(=O)OC(C)(C)C	1
+FC(F)(F)c1c(SC)ccc(c1)C(C(O)=O)CC2CCCC2	411
+FC(F)(F)c1cc(C(CC(C)C)C(O)=O)ccc1[N+]([O-])=O	3
+FC(F)(F)c1cc(ccc1N)C(C(OCC)=O)CC(C)C	0
+FC(F)(F)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1O	31
+FC(F)(F)c1c(N)ccc(C(=O)C)c1	0
+FC(F)(F)c1cc(C(F)(F)F)ccc1Cn2c3ccc(cc3c(n2)Cl)C=O	823
+FC(F)(F)c1cc(C(F)(F)F)ccc1Cn2nc(Cl)c3cc(C=C4C(N=C(S4)N5CC(CO)OCC5)=O)ccc23	1149
+FC(F)(F)c1cc(C(NCC(=O)NC2CCN(C3C(NCc4ccccc4)CCCC3)C2)=O)ccc1	42
+FC(F)(F)c1cc(C(NCC(=O)NC2CCN(C2)C3C(N)CCCC3)=O)ccc1	18
+FC(F)(F)c1cc(C(NCC(NC2CCN(C3CNCC3)C2)=O)=O)ccc1	62
+FC(F)(F)c1cc(C(NCC(=O)NC2CN(CC2)C3CCN(C3)c4ccc(cc4)C(OC)=O)=O)ccc1	79
+FC(F)(F)c1cc(C(NCC(NC2CN(C2)C3CCC(CC3)c4ccc(cc4)CC(=N)N)=O)=O)ccc1	3824
+FC(F)(F)c1nc(C(C)C)nc(C2=NC(=O)ON2)c1	1988
+FC(F)(F)c1cc(C(=O)O)c(Cl)c([N+](=O)[O-])c1	31
+FC(F)(F)c1cc(CO)cc(-n2nnnc2C)c1	49
+FC(F)(F)c1cc(C(=O)Nc2cc(I)c(cc2)C)ccc1	67
+FC(F)(F)c1c(OCC2CC2)ccc(c1)CO	49
+FC(F)(F)c1cc(C(O)=O)cc(-n2nnnc2C)c1	1
+FC(F)(F)c1cc(C(OC)=O)cc(-n2nnnc2C)c1	9301
+FC(F)(F)c1cc(n(-c2ccc(cc2)[N+]([O-])=O)n1)C(OC)=O	77
+FC(F)(F)c1ccc(Oc2cccc(CC(=O)OC)c2)c(c1)C=O	1054
+FC(F)(F)c1cc(C2CC2)n(n1)-c3c(cc(cc3F)[N+](=O)[O-])F	926
+FC(F)(F)c1cc(N)cc(c1)C2CCN(CC2)C	191
+FC(F)(F)c1cc(cc(Cl)c1N)CCC(N2C(OCC2Cc3ccccc3)=O)=O	1320
+FC(F)(F)c1cccc(C=2Oc3c(C(=O)O)cccc3C(=O)C=2)c1	9302
+FC(F)(F)c1cc(C(=NO)Cl)c(cc1)F	761
+FC(F)(F)c1cc(c(-c2c(OC)ccc(CC(OCC)=O)c2)cc1)CO	41
+FC(F)(F)c1cc(CNCc2ccccc2)c(-c3cc(CC(=O)OC)ccc3OC)cc1	42
+FC(F)(F)c1cc(c(cc1)OCOC)CO	41
+FC(F)(F)c1cc2c(sc(C(=O)OC)c2)c(c1)Br	1425
+FC(F)(F)c1cc(c(Oc2cccc(c2)C(C(=O)O)C)cc1)CN3CCOC3=O	9303
+FC(F)(F)c1cc(Cn2c3c(c(I)c2C(OCC)=O)cc(-c4ccc(cc4)OC)cc3)ccc1	190
+FC(F)(F)c1c(ccc(CC(=O)Nc2c3c(C(=O)N(CCOC(=O)C)C=C3)ccc2Cl)c1)F	33
+FC(F)(F)c1cc(ccc1)CC(NC(CCCc2ccccc2)=O)C(O)c3ccc(cc3)F	9
+FC(F)(F)c1cc(CC(Nc2ncc(N3CCN(CC3)C(C)=O)cc2)=O)ccc1-c4cc(ncc4)C	498
+FC(F)(F)c1cc(cc(CN2CCN(CC2)C)c1)N	0
+FC(F)(F)c1cc(CNC(Nc2ccc(C=O)c(c2)F)=O)n(-c3cccc(c3)Cl)n1	39
+FC(F)(F)c1cc(cc(c1)CNC(C)C)C(=O)Nc2cc(c(C)cc2)Nc3cc(nn3-c4ncnc(NC)c4)C	67
+FC(F)(F)c1ccc(c(CN(CC)S(=O)(=O)c2ccc3c(cccc3)c2)c1)Oc4cc(ccc4)CC(OC)=O	92
+FC(F)(F)c1cc(cc(c1)COS(=O)(=O)C)-n2c(C)nnn2	7
+FC(F)(F)c1cc(COc2ccc3c(c4c(C(CC(=O)O)CC4)[nH]3)c2)ccc1CC5CCCCC5	3
+FC(F)(F)c1cnc(-c2ccc3N(C(=O)Nc3c2)C(C)C)c(c1)Cl	1019
+FC(F)(F)c1cc(Cl)c(c(c1)Cl)Oc2cc([nH]n2)C	9304
+FC(F)(F)c1cc(c(S(=O)(=O)Nc2cc(Cl)c(c(c2)Cl)Oc3sc4cc(ccc4n3)[N+]([O-])=O)cc1)Cl	1523
+FC(F)(F)c1cc(Cl)c(-c2cc(N)c(NC(C)C)cc2)nc1	0
+FC(F)(F)c1cc(cc(Cl)c1)C(NC)C	1607
+FC(F)(F)c1cccc(c1C=O)Cl	9305
+FC(F)(F)c1cc(Cl)ccc1-c2c(cc(N)c(c2)N)Cl	0
+FC(F)(F)c1cc(ccc1C(C(=O)O)CCCCl)Cl	4
+FC(F)(F)c1cc(ccc1C(CCCCl)C#N)Cl	143
+FC(F)(F)c1c(Cn2nc(c3c2ccc(C=O)c3)Br)ccc(Cl)c1	823
+FC(F)(F)c1cc(Cl)n[nH]1	9306
+FC(F)(F)c1c2c(n[nH]c2I)nc(Cl)c1	4744
+FC(F)(F)c1ccnc(N2C3C(C(O)(c4ccccc4)CC2)CCCC3)c1	43
+FC(F)(F)c1ncnc(N)c1	266
+FC(F)(F)c1cccc(Cn2c3c(c(-c4cccc(C(C)=O)c4)c2C(OCC)=O)cc(cc3)-c5ccc(cc5)OC)c1	9307
+FC(F)(F)c1ccc(-c2ncnc(Nc3cc4cc[nH]c4cc3)c2[N+]([O-])=O)c(F)c1	198
+FC(F)(F)c1ccc(c(c1)F)CCC(NCCCc2cc(C)nn2CC)=O	9
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(c3cc(S(=O)(=O)C)ccc3SCC)=O	30
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(c3cc(ccc3SC)S(=O)(=O)C)=O	30
+FC(F)(F)c1cc(c(c(Cl)c1)-n2c(N)ccn2)F	2257
+FC(F)(F)c1cc(-n2cc(C)nc2)c(c(Cl)c1)[N+]([O-])=O	431
+FC(F)(F)c1cc(F)c(cc1)-c2c3c(n(cn3)-c4ccc(cc4)O)ncn2	5
+FC(F)(F)c1cc(F)c(cc1)C(C2CC2C#N)O	74
+FC(F)(F)c1cc(c(C(c2c3cc(cc(c3[nH]c2)CS(=O)(=O)C)F)C4CC4C#N)cc1)F	2523
+FC(F)(F)c1cc(cc([N+](=O)[O-])c1NC(C)=O)Oc2ccc(cc2)C=O	46
+FC(F)(F)c1cc(F)cc([N+]([O-])=O)c1NC(C)=O	31
+FC(F)(F)c1ccnc(OCC2N(CC(CC2)C)C(c3nc(ccc3-c4ncccn4)C)=O)c1	430
+FC(F)(F)c1cc(-c2cccc(N)c2)c3c(ncn3-c4ccccc4)c1	4745
+FC(F)(F)c1cc(c(C(=O)N)nc1)N	1200
+FC(F)(F)c1cc2nc(nc(O)c2cc1)-c3ccccc3SCC	748
+FC(F)(F)c1ccc2S(=O)(=O)Nc3c4c(cccn4)c(cc3-c2c1)F	1763
+FC(F)(F)c1cc(N)c(S(=O)(=O)Nc2cccc3c(OC)ccnc23)cc1	9308
+FC(F)(F)c1cc-2c(S(=O)(=O)Nc3c-2cc(c4cccnc34)Cl)cc1	1763
+FC(F)(F)c1cc(c2c(c1)-c3ccc4c(c3NS2(=O)=O)nccc4OC)N	9309
+FC(F)(F)c1cc(Br)c2c(c1)[nH]cc2	9310
+FC(F)(F)c1cc(cc(c1)N)CN(C)C	162
+FC(F)(F)c1c(c(Br)ccc1)NC(C)=O	480
+FC(F)(F)c1cc(NC(=O)Oc2ccccc2)n(-c3ccccc3)n1	278
+FC(F)(F)c1cc(NC(NS(=O)(=O)c2sc(CCOC(=O)C)c(c2)C)=O)nc(C(OC)=O)c1	4746
+FC(F)(F)c1cc(ccc1)N2C(=C(C(O)=O)C(NC2=O)c3c(S(=O)(=O)C(C)C)cc(cc3)C#N)C	9311
+FC(F)(F)c1cc(N2C(C)=C(C(c3ccc(cc3[N+]([O-])=O)C#N)NC2=O)C#N)ccc1	4747
+FC(F)(F)c1c(C#N)ccc(c1)N2C(N(C)C(CO)(c3ccc(cc3)F)C2=O)=O	4729
+FC(F)(F)c1cc(N2C(C)=C(C(NC2=O)c3c(cc(cc3)C#N)S(=O)(=O)C(C)C)C#N)ccc1	4747
+FC(F)(F)c1cc(ccc1)N2C(NC(C(C(=O)O)=C2C)c3ccc(cc3)C#N)=O	108
+FC(F)(F)c1cc(N2C(C)=C(C=C(C2=O)C(NCc3ccc(cc3)S(=O)(=O)C)=O)C(=N)NO)ccc1	9312
+FC(F)(F)c1cccc(c1)N2C(C(C(=O)NCc3ccc(cc3)S(=O)(=O)C)=CC=C2C)=O	4748
+FC(F)(F)c1cc(ccc1)N2C=C(O)C(=O)C(c3ccnn3-c4ccccc4)=N2	9313
+FC(F)(F)c1cc(N2CCC(CC2)NCC(c3n(C)c4c(cccc4)n3)O)nc5sc(C(N)=O)c(N)c15	3763
+FC(F)(F)c1c(NC(Cc2ccc(cc2)F)=O)c(Br)cc(c1)N3CCOCC3	26
+FC(F)(F)c1nn(-c2ccccc2)c(c1)NC(=O)Nc3cccc(Sc4ncnc5cc(OC)c(cc45)OC)c3	446
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(-c3cc([N+](=O)[O-])ccc3)c(cc2)C	1762
+FC(F)(F)c1cc(ccc1-n2ccnc2C)NC(=O)c3cc(Nc4nc5c(cccc5)n4-c6cc(ncn6)N)c(C)cc3	1494
+FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)Br)ccc1Cl	648
+FC(F)(F)c1cc(NC(NS(=O)(=O)c2cc(c(CCO)s2)C)=O)nc(C(OC)=O)c1	59
+FC(F)(F)c1cc(c(cc1)C=CC(=O)OC)NCC	530
+FC(F)(F)c1cc(Nc2cc(cc(-c3sc(nc3)C4(O)CCc5c4ccc(C(=O)O)c5)n2)C)ncc1	1
+FC(F)(F)c1c(ccc(c1)Nc2nc(NN)nc(Cl)n2)F	4720
+FC(F)(F)c1cc(cc(Nc2ncc(c(n2)Nc3c(C(=O)NC)cccc3)Cl)c1)N	0
+FC(F)(F)c1c(F)ccc(Oc2ccc(cc2C#N)C=O)c1	46
+FC(F)(F)c1cc(c(CCN)cc1)OC	157
+FC(F)(F)c1cc(OC)ccc1Nc2ccc(c(F)c2)CN	107
+FC(F)(F)c1cc(OC)ccc1Nc2ccc(cc2)CN	107
+FC(F)(F)c1cc(OCC(Cn2nnc3cc(c(cc23)C)N)=NOC)ccc1	0
+FC(F)(F)c1cc(c(C=O)cc1)O	9314
+FC(F)(F)c1c(ccc(c1)O)CC(C(OC)=O)OCC	16
+FC(F)(F)c1c(ccc(OCc2nc(-c3c(F)cccc3)oc2C)c1)CC(C(=O)O)OCC	4
+FC(F)(F)c1cc(c(COS(=O)(=O)C)cc1)Oc2cc(C#N)ccc2	7
+FC(F)(F)c1cc(Oc2cc(C(=O)NN)ccc2)ccc1	296
+FC(F)(F)c1cc(Oc2cc(cc(c2)Sc3ccc(c(c3)C)OCC(=O)O)C#CCN4CCOCC4)ccc1	3
+FC(F)(F)c1cc(Oc2ccc(cc2)CCO)ccc1Cl	1709
+FC(F)(F)c1cc(Oc2ccc(cc2)CO)ccc1Cl	41
+FC(F)(F)c1cc(Oc2ccc(cc2)C=C)ccc1Cl	4749
+FC(F)(F)c1cc(Oc2ccc(cc2)CCNc3ncc(c(O)n3)Cc4cnc(nc4)C)ccc1Cl	785
+FC(F)(F)c1cc(Oc2ccc(cc2)CCI)ccc1Cl	4750
+FC(F)(F)c1cc(Oc2ccc(cc2)CCOC3=NC(N4C(N(CCC4)C)=C3)=O)ccc1Cl	2468
+FC(F)(F)c1cc(Oc2ccc(cc2)CCN)ccc1Cl	157
+FC(F)(F)c1cc(Oc2ccc(cc2)CSc3ncc(CO)c(O)n3)ccc1Cl	897
+FC(F)(F)c1cc(S(=O)(=O)CCSc2ncccc2N)ccc1	13
+FC(F)(F)c1c(ccc(S(=O)(=O)Nc2c(ncc(Cl)c2)C3OC(c4c3c(Cl)ccc4)=O)c1)Cl	2258
+FC(F)(F)c1c(ccc(S(=O)(=O)N(c2cc(Cl)cnc2C(c3c(ccc(c3)-n4cccn4)Cl)=O)COC)c1)Cl	2229
+FC(F)(F)c1cc(cc(c1)S(=O)(=O)N2CC3(C(=O)NCC3)CCC2)C	2471
+FC(F)(F)c1cccc(SC2C(COCC2)c3ccc(cc3)Cl)c1	2254
+FC(F)(F)c1cc(SC2CCOC(c3n(nc(Br)c3)C)C2)ccc1	2254
+FC(F)(F)c1cc(ccc1)SC(C)C2CN(C(=O)C2)Cc3ccc(cc3)OC	4103
+FC(F)(F)c1c(-n2c(ncc2)C)cc(c(c1)[N+]([O-])=O)NC(=O)C(=O)OCC	994
+CC(C)(C)OC(N(C)C1CN(CCC1)c2c(cc(C(F)(F)F)cc2)N)=O	0
+FC(F)(F)c1cc(N)c(N2CCCCC2)c(c1)C(=O)Nc3ccc(c(Cl)c3)Cl	0
+FC(F)(F)c1cc(Br)c(NC)c(N)c1	0
+FC(F)(F)c1cc(cc(-c2cnco2)c1)N	0
+FC(F)(F)c1c(F)c(Cl)cc(N)c1	0
+FC(F)(F)c1cc(cc(N)c1)O	0
+FC(F)(F)c1cc([N+](=O)[O-])cc(-c2ocnc2)c1	2939
+FC(F)(F)c1ccc(Nc2c(OC)cc(c(c2)CC)OC)c(N)c1	0
+FC(F)(F)c1cc(N)c(S(=O)(=O)Nc2c3nccc(c3ccc2Cl)OC)cc1	0
+FC(F)(F)c1c(N)c(cc(c1)N)Br	0
+FC(F)(F)c1cc([N+]([O-])=O)ccc1-c2ncc(cc2)Cn3ncc4nc(nc4c3)-c5c(F)c(ccc5)F	9315
+FC(F)(F)c1cc(N)ccc1-c2ccc(cn2)Cn3ncc4nc(nc4c3)-c5c(F)c(ccc5)F	0
+FC(F)(F)c1cc(C2=Cc3c(c(ncc3N(Cc4ccccc4)C2=O)C(=O)OC)O)ccc1	1510
+FC(F)(F)c1cnc(-c2c(F)cc(Cl)c(c2[N+](=O)[O-])O)c(c1)Cl	31
+FC(F)(F)c1cc(c(cn1)-c2c(Cl)cc(c(S(=O)(=O)N(C)c3ccccc3)c2)OC)C#N	416
+FC(F)(F)c1c(cc(c([N+]([O-])=O)c1)C#N)C	180
+FC(F)(F)c1cc(N)c(c(Br)c1)C#C	75
+FC(F)(F)c1cnc(c([N+]([O-])=O)c1)C(N)=O	862
+FC(F)(F)c1cc2c(nc1)c(nc(-c3ccccc3SCC)n2)O	9316
+FC(F)(F)c1cc(c(C(NC2C(CCC2)N)=O)c(SC)c1)OC	12
+FC(F)(F)c1cc([N+]([O-])=O)c(c(C(=O)O)c1)C	31
+FC(F)(F)c1ccc(c(Cn2nc(nn2)C)c1)C=CC(O)=O	108
+FC(F)(F)c1cc(c(cc1)CCNC(c2ccc(cc2)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl)=O)OC	14
+FC(F)(F)c1cnc(c(Cl)c1)-c2ccc(c(OC)c2)Cl	140
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)[N+]([O-])=O	136
+FC(F)(F)c1cc(cc(I)c1)Cl	480
+FC(F)(F)c1cc2NC(=O)CC(c3ccnc(-c4cnccc4)c3)=Nc2cc1OCC	690
+FC(F)(F)c1ccc2c(c1)NC(=O)N2C3CCC(CC3)O	1019
+FC(F)(F)c1cc(N)c(NC2CCCCC2)cc1	0
+FC(F)(F)c1ccc(c(C=2CCCCC=2c3nc(ccc3)C(=O)OCC)c1)OCc4ccccc4	3061
+FC(F)(F)c1cnc(S)c(c1)N	13
+FC(F)(F)c1cc(c(c(-n2cc(C)nc2-c3c(cncc3)C)c1)[N+]([O-])=O)OC	9317
+FC(F)(F)c1cc(-n2c(nc(c2)C)-c3c(cncc3)C)c(c(c1)OC)N	0
+FC(F)(F)c1cc(N)c(c(c1)C(=O)OC)C	0
+FC(F)(F)c1cc(SC)c(C(=O)NC2(c3ccccc3)CCCN(C(=O)OCc4ccccc4)C2)c(OC)c1	93
+FC(F)(F)c1cc(C(=O)Nc2cc(Cl)c(Cl)cc2)c(c(c1)[N+]([O-])=O)Cl	50
+FC(F)(F)c1cc(F)c(cc1)-c2c3c(ncn2)n(-c4ccc(cc4)OC)cn3	2853
+FC(F)(F)c1ccc(-c2ncnc(Oc3c4c(ccc3)sc(NC(C)=O)n4)c2)c(NC(=O)OC(C)(C)C)c1	4751
+FC(F)(F)c1cc(c(cc1)-c2c3c(cc(cc3)S(=O)(=O)Nc4nccs4)n(C)c2)-c5n(ncc5)C	4752
+FC(F)(F)c1cc(C=O)c(Br)cc1	39
+FC(F)(F)c1cc(c(cc1)Br)SC2CC(c3ccc(cc3)Cl)OCC2	2254
+FC(F)(F)c1cc(F)c(C(=O)Nc2cc(O)ncc2)cc1	104
+FC(F)(F)c1cc(F)c(cc1)C(=O)NCCn2cc(nc2)C(OC)=O	14
+FC(F)(F)c1ccc(C)c(c1)N	0
+FC(F)(F)c1ccc(C=CC(O)=O)c(c1)NCC	127
+FC(F)(F)c1cc(c(cc1)CCNC(c2ccc(cc2)Oc3cc4OCCC(c4cc3Cl)C(O)=O)=O)OC	3
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CNc3ccccc3)CC2C)=O	93
+FC(F)(F)c1ccc(Oc2c(OC)ccc(CC(=O)OCC)c2)c(c1)C=O	46
+FC(F)(F)c1cc(OC(F)F)c(cc1)Oc2cc3occc3cc2	46
+FC(F)(F)c1ccc(I)c(c1)CO	611
+FC(F)(F)c1cc(c(cc1)N(CC2CCC(CC2)CC(=O)OCC)CC)CO	41
+FC(F)(F)c1cc(NC(=O)C2CCC3(CC2)CC(=O)N(c4ccccc4)C3)c(N)cc1	33
+CC(C)(C)[Si](C)(C)OC1CCCN(C1)c2ccc(C(F)(F)F)cc2N	0
+FC(F)(F)c1cc(NC(=O)c2ccncc2)c(N3c4c(cccc4)CC3)cc1	50
+FC(F)(F)c1cc(c(NC2CCC(CC2)O)cc1)N	0
+FC(F)(F)c1ccc(O)c(c1)C(=O)C=CN(C)C	277
+FC(F)(F)c1cc(c(cc1)OCc2ccccc2)CO	22
+FC(F)(F)c1ccc(O)c(Cn2ncnc2)c1	9318
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)O	3
+FC(F)(F)c1cc(c(cc1)O)CO	241
+FC(F)(F)c1ccc(c(c1)CN=[N+]=[N-])OCc2ccccc2	925
+FC(F)(F)c1ccc(Oc2cccc(CC(O)=O)c2)c(c1)CN(S(=O)(=O)c3ccc(cc3)Cl)C	92
+FC(F)(F)c1cc(Cl)c(cc1)S(=O)(=O)Nc2cc(Cl)c(c(Cl)c2)O	69
+FC(F)(F)c1ccc(c([N+]([O-])=O)c1)S(=O)(=O)Nc2c3c(c(cc2)F)cccn3	322
+FC(F)(F)c1ccc(S(=O)(=O)Nc2ccc(c3cccnc23)Cl)c([N+]([O-])=O)c1	322
+FC(F)(F)c1cc([N+]([O-])=O)c(cc1)S(=O)(=O)Nc2c3nccc(c3ccc2Cl)OC	322
+FC(F)(F)c1cc(C2CCN(CC2)C(=O)OC(C)(C)C)c(cc1)Sc3ccc(cc3)Cl	564
+FC(F)(F)c1ccc(cc1C)C#N	480
+FC(F)(F)c1cc([N+](=O)[O-])c(N)cc1-n2ccnc2C	2067
+FC(F)(F)c1cc(c(cn1)-c2c(cc(O)c(S(=O)(=O)N(c3ccccc3)C)c2)Cl)C#N	5
+FC(F)(F)c1cc(C#N)c(cn1)-c2ccc(cc2Cl)OC	89
+FC(F)(F)c1ncc(c(N)c1)I	1724
+FC(F)(F)c1cnc(c(c1)C(=O)N)Cl	3454
+FC(F)(F)c1cc(c(S)nc1)[N+](=O)[O-]	9319
+FC(F)(F)c1cc(c(C#N)nc1)[N+](=O)[O-]	1958
+FC(F)(F)c1ccc2c(c1)-c3ccc4c(nccc4OC)c3NS2(=O)=O	480
+FC(F)(F)c1cc(c2cc(-c3cc4ccccc4o3)ccc2n1)O	3062
+FC(F)(F)c1cc(Cl)c2nc(C(NS(=O)(=O)c3c(ccc(CC)c3)Cl)=O)cn2c1	9320
+FC(F)(F)c1cc(cc(N)c1)-c2nnc(o2)C	0
+FC(F)(F)c1cc(cc(Br)c1)C(N(C)CC(c2ccc(cc2)F)CC=O)=O	465
+FC(F)(F)c1cc(cc(N(C)C)c1)C=O	9321
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2CCc3nc(CN)ccc3C2c4ccc(cc4)F)C	421
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2C(c3c(nc(C#N)cc3)CC2)c4ccc(cc4)F)C	9322
+FC(F)(F)c1cc(-c2ccc(cc2)C#N)cc(CO)c1	11
+FC(F)(F)c1cc(cc(c1)I)C=O	39
+FC(F)(F)c1cc(cc(CO)c1)I	9323
+FC(F)(F)c1cc(cc(COC(=O)C)n1)CC	174
+FC(F)(F)c1cc(cc(n1)CO)CC	59
+FC(F)(F)c1cc(cc(COCC2(CCNCC2)c3ccc(F)cc3Br)c1)-c4ccc(cc4)C#N	2
+FC(F)(F)c1cc(cc(Cl)c1)Oc2ccc(cc2)CCO	1709
+FC(F)(F)c1cc(cc(Cl)c1)Oc2ccc(cc2)CCOC(N)=N	4753
+FC(F)(F)c1cc(cc(Oc2ccc(cc2)CCOc3ncc(c(n3)O)Cc4cnc(nc4)OC)c1)Cl	3063
+FC(F)(F)c1cc(cc(Cl)c1N)C(O)CN(Cc2ccccc2)CCCCCCOCCc3ncccc3	4754
+FC(F)(F)c1c(N)c(cc(C(O)CNCCCCCCOCCc2ncccc2)c1)Cl	25
+FC(F)(F)c1cc(N)cc(Cl)c1N	0
+FC(F)(F)c1cc(cc(N(C)C)c1)C=C[N+]([O-])=O	417
+FC(F)(F)c1cc(C=2CCN(CC=2)C)cc(N)c1	352
+FC(F)(F)c1cc(O)cc(I)c1	158
+FC(F)(F)c1cc(cc(c1)O)N=C(N)N	4755
+FC(F)(F)c1cc(Nc2ncc(c(Nc3c(C(=O)NC)cccc3)n2)Cl)cc([N+](=O)[O-])c1	55
+FC(F)(F)c1cc(cc(N)c1)CCCN2CCOCC2	106
+FC(F)(F)c1cc(cc(c1)[N+](=O)[O-])CO	49
+FC(F)(F)c1cc(C(=O)N(OC)C)cc([N+](=O)[O-])c1	280
+FC(F)(F)c1cc([N+](=O)[O-])cc(O)c1	5
+FC(F)(F)c1cc(cc(c1N)N)Cl	0
+FC(F)(F)c1cc(Oc2c(Cl)ccc(CN)c2F)cc(c1)C#N	1551
+FC(F)(F)c1cc(cc(-c2nnc(o2)C)c1)[N+]([O-])=O	2959
+FC(F)(F)c1cc(Cl)cc(c1)C(=O)C	1024
+FC(F)(F)c1cc(cc(CO)c1)N	0
+FC(F)(F)c1cc(N)cc(C(=O)N(C)C)c1	0
+FC(F)(F)c1c(c(Cl)cc(C=O)c1)N	39
+FC(F)(F)c1cc(cc(C=O)n1)CC	178
+FC(F)(F)c1nc(Cl)cc(CSC)c1	1672
+FC(F)(F)c1cccc(-c2c3OC(Cc3ccc2)CN=[N+]=[N-])c1	254
+FC(F)(F)c1cc(ccc1)-c2cc(ccc2OCC(=O)O)C(C)N(C)S(=O)(=O)c3ccc(cc3)F	4
+FC(F)(F)c1cc(ccc1)-c2cc(C(C)N(C)S(=O)(=O)c3ccc(cc3)F)ccc2OCC(OC)=O	92
+FC(F)(F)c1cc(-c2cc3c(cc2)nccc3SC4(CCC4)C(=O)O)ccc1	3
+FC(F)(F)c1cc(-c2ccc(c(n2)C)CO)ccc1	88
+FC(F)(F)c1cccc(-c2nnc3c(C(OC(=O)Oc4ccccc4)CC(C3)C)c2)c1	405
+FC(F)(F)c1cc(ccc1)-n2cc(N)nc2	1901
+FC(F)(F)c1cc(-c2[nH]c(C3CCC(CC3)CNC(OCc4ccccc4)=O)nc2)ccc1	2841
+FC(F)(F)c1cccc(C(Nc2ccc(c(C(O)=O)c2)Cl)=O)c1	50
+FC(F)(F)c1cc(C(NCC(O)=O)=O)ccc1	946
+FC(F)(F)c1cccc(c1)C(Nc2c(C)cc(C)c(Br)c2C)=O	50
+FC(F)(F)c1cccc(c1)C(Nc2cc(c(C)nc2)I)=O	660
+FC(F)(F)c1cc(C(Nc2ccnc(c2)Cl)=O)ccc1	50
+FC(F)(F)c1cccc(C(Nc2cc(c(F)cc2)[N+](=O)[O-])=O)c1	50
+FC(F)(F)c1cccc(C(=O)Nc2cc(ccc2)C(=O)OC)c1	50
+FC(F)(F)c1cc(C(NC2C(CN(CCNc3ncccn3)CC2)O)=O)ccc1	93
+FC(F)(F)c1cc(ccc1)CC2NC(OC2c3ccc(cc3)F)=O	3064
+FC(F)(F)c1cc(ccc1)CC(C(=O)O)C(c2ccc(cc2)F)O	3
+FC(F)(F)c1cc(ccc1)CC(C(=O)OCC)C(c2ccc(cc2)F)O	2261
+FC(F)(F)c1cc(CC(N)C(c2ccc(cc2)F)O)ccc1	886
+FC(F)(F)c1cc(ccc1)-n2cc([N+]([O-])=O)nc2	1444
+FC(F)(F)c1cccc(c1)N2CCC(C2=O)C(=O)O	9324
+FC(F)(F)c1cccc(c1)NC(c2cc(sc2C)S(=O)(=O)Cl)=O	1899
+FC(F)(F)c1cc(ccc1)Nc2c3[nH]cnc3nc(n2)Cl	1185
+FC(F)(F)c1cc(ccc1)Nc2nccc3c([N+]([O-])=O)c(C)ccc23	201
+FC(F)(F)c1cc(ccc1)Nc2nccc3c(c(ccc23)C)I	201
+FC(F)(F)c1cc(ccc1)NC(=O)c2ccc(cc2)[N+](=O)[O-]	50
+FC(F)(F)c1cccc(NC(=O)C2CCN(CC2)c3nsnc3OCc4ccncc4)c1	33
+FC(F)(F)c1cc(N2C(=O)NC(c3c(cc(C#N)cc3)S(=O)(=O)C(C)C)C(=C2C)C(N)=O)ccc1	3053
+FC(F)(F)c1cccc(N2C(=O)C(COS(=O)(=O)C)CC2)c1	7
+FC(F)(F)c1cc(ccc1)N2C=3CCCC(=O)C=3C(N(CC(O)=O)C2=O)c4ccc(cc4)C#N	4
+FC(F)(F)c1cc(ccc1)N2C(N(C(C(C#N)=C2C)c3c(N)cc(cc3)C#N)C)=O	0
+FC(F)(F)c1cc(ccc1)N2C(=C(C(c3c(cc(cc3)C#N)C(O)=O)N(C)C2=O)C(=O)OCC)C	1
+FC(F)(F)c1cc(ccc1)N2C(=O)C(CO)CC2	4756
+FC(F)(F)c1cc(N2C(=C(C(NC2=O)c3ccc(cc3[N+](=O)[O-])C#N)C(=O)N)C)ccc1	3053
+FC(F)(F)c1cc(N2C(C(C(=O)NCc3ccc(cc3)S(=O)(=O)C)=CC(C#N)=C2C)=O)ccc1	9325
+FC(F)(F)c1cc(N2CCN(CC2)CCn3c4c(cc3)C(CCC4)=O)ccc1	9326
+FC(F)(F)c1cc(N2CCNCCC2)ccc1	2
+FC(F)(F)c1cccc(c1)N2CCN(CC2)CCN3C(=Nc4ccccc4C3=O)CC	53
+FC(F)(F)c1cc(N2CCN(CC2)CCC3CCC(CC3)Nc4ncccn4)ccc1	28
+FC(F)(F)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3cccc(C(F)(F)F)c3	124
+FC(F)(F)c1cccc(NC(Nc2ccc(cc2)-c3c4c(nn(C)c4cnc3)N)=O)c1	124
+FC(F)(F)c1cccc(NC(N(C)C(C=2N(c3ccc(cc3)F)C(C=CN=2)=O)C)=O)c1	326
+FC(F)(F)c1cc(NC(=S)NN)ccc1	4757
+FC(F)(F)c1cccc(NC(Cc2nc(N)sc2)=O)c1	2427
+FC(F)(F)c1cccc(c1)NC(Cc2nc(sc2)NC)=O	2427
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(-c3cccc(N)c3)c(cc2)C	0
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(c(cc2)C)-c3cc(ccc3)Nc4ncccc4Br	201
+FC(F)(F)c1cc(ccc1)NC(c2ccc(cc2)N)=O	0
+FC(F)(F)c1cccc(N2C(=O)NC(C3=C2CCCC3=O)c4c(cc(cc4)C#N)SC)c1	3065
+FC(F)(F)c1cccc(c1)N2C3=C(C(NC2=O)c4ccc(cc4)Br)C(C(C)(C)CC3)=O	9327
+FC(F)(F)c1cccc(c1)N2C=3CCC(=O)C=3C(NC2=O)c4ccc(Br)cc4S(=O)(=O)C	4758
+FC(F)(F)c1ccc([N+](=O)[O-])c(O)c1	31
+FC(F)(F)c1cccc(c1)Oc2ccc(cc2C#N)C=O	46
+FC(F)(F)c1cccc(Oc2c3c(c(ccc3)[N+](=O)[O-])ncn2)c1	185
+FC(F)(F)c1cccc(Oc2nccc3c(c(C)ccc23)I)c1	136
+FC(F)(F)c1cc(ccc1)Oc2cccc(OCc3ccsc3)n2	136
+FC(F)(F)c1cc(ccc1)Oc2cc(Br)cc(Sc3cc(c(cc3)OCC(=O)OCC)C)c2	1336
+FC(F)(F)c1cc(S(=O)(=O)Oc2cc(C)cc(O)c2)ccc1	16
+FC(F)(F)c1cc(ccc1-c2c(C)c(C(O)=O)c[nH]2)F	1
+FC(F)(F)c1cc(ccc1-c2c(C)c(c[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)C)F	246
+FC(F)(F)c1c(ccc(C2CC2)c1)-c3cc(CCO)on3	365
+FC(F)(F)c1c(-c2cscc2C)ccc(-c3nc(no3)-c4ccccc4OC)c1	910
+FC(F)(F)c1cc(Cl)ccc1-c2cc([N+](=O)[O-])c(N)cc2Cl	134
+FC(F)(F)c1cc(ccc1Br)NC(=O)Nc2ccc(cc2)Oc3ncnc(c3)NC	40
+FC(F)(F)c1cc(ccc1C#N)-n2nnnc2CN3CCNCC3	2
+FC(F)(F)c1cc(ccc1C#N)-n2nnnc2CN3CCN(CC3)S(=O)(=O)CCC	112
+FC(F)(F)c1c(c(F)ccc1C#N)I	184
+FC(F)(F)c1cc(N(CC)C2CC(CCC2)n3c(CCc4cccnc4)cnc3)ccc1C#N	9328
+FC(F)(F)c1cc(ccc1C#N)Oc2ccc(cc2)-c3nc(cc(n3)C(N)=O)C=C	1134
+FC(F)(F)c1cc(Cl)ccc1C(CCCCl)C(N)=O	83
+FC(F)(F)c1c(CN2CCN(CC2)CC)ccc(N)c1	162
+FC(F)(F)c1c(CO)ccc(I)c1	49
+FC(F)(F)c1c(Cn2ncc3cc(ccc23)C=O)ccc(c1)F	823
+FC(F)(F)c1c(CN2CCN(CC2)C)ccc(C(=O)Nc3ccc(c(I)c3)C)c1	67
+FC(F)(F)c1c(Cl)ccc(C=2C=C(OCc3ccccc3)C(=O)N(C(C)C)C=2)c1	9329
+FC(F)(F)c1c(Cl)ccc(S(=O)(=O)Nc2cc(C)cnc2Br)c1	322
+FC(F)(F)c1c(ccc(c1)N2CCOCC2)Nc3ncnc4c3cc(cc4)I	73
+FC(F)(F)c1c(c(cc(Cl)c1)[N+](=O)[O-])NC(C)=O	31
+FC(F)(F)c1cc(Br)ccc1OCc2ccccc2	139
+FC(F)(F)c1cc(C=O)ccc1OCc2ccccc2	22
+FC(F)(F)c1c(OCC)ccc(-c2nc(c(c(N)c2)[N+](=O)[O-])C#N)c1	140
+FC(F)(F)c1cc(ccc1OCC2CC2)COc3ccc4c(c5c(C(CC(=O)O)CC5)[nH]4)c3	3
+FC(F)(F)c1c(OCC2CCN(CC2)C)ccc(NC(Nc3ccc(cc3)Oc4cc(Cl)ncn4)=O)c1	124
+FC(F)(F)c1c(OCCC2CCN(CC2)C(=O)OC(C)(C)C)ccc(-c3cc4n(nnc4c(C#N)n3)C)c1	2259
+FC(F)(F)c1cc(B(O)O)ccc1OCCCOC2CCCCO2	579
+FC(F)(F)c1cc(ccc1OCCCNC)-c2nc(C#N)c3ncn(C)c3c2	285
+FC(F)(F)c1cc(F)ccc1OCCN2C(C=3N(CC2)C(=O)C(n4cc(nc4)C)=CC=3)=O	3055
+FC(F)(F)c1cc(-c2nc(C#N)c3ncn(C)c3c2)ccc1OCCOS(=O)(=O)C	7
+FC(F)(F)c1c(ccc(c1)N)OCCOCc2ccccc2	0
+FC(F)(F)c1nccc(C2(c3cccc(O)c3)NC(=N)c4c2cc(Cl)cc4F)c1	5
+FC(F)(F)c1cc(ccn1)N2C3=C(C(c4ccc(cc4C(O)=O)C#N)N(C2=O)C)C(CC3)=O	1
+FC(F)(F)c1cc(ccn1)Oc2ccc(cc2)N	0
+FC(F)(F)c1cc(-c2occc2)cn3c(Cl)c(C(N4C(CN(C)CC4)c5ccccc5)=O)nc13	777
+FC(F)(F)c1cc(cn2c(Cl)c(C(O)=O)nc12)-c3ccco3	6
+FC(F)(F)c1cc(C#N)cnc1N2CCOCC2	1684
+FC(F)(F)c1cc(cs1)CO	9330
+FC(F)(F)c1nn(-c2cc(c(cc2)F)F)c(c1)CNC(Nc3cc(c(N4CC(C4)O)cc3)F)=O	238
+FC(F)(F)c1cc(C(=O)O)n(-c2ccc(cc2)[N+]([O-])=O)n1	1
+FC(F)(F)c1cc(n(-c2cccc(c2)Cl)n1)CNC(Nc3ccc(C(=O)N)nc3)=O	862
+FC(F)(F)c1nn(C)c(C)c1Cl	1188
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3nc(C#Cc4ccc(cc4)OC)cs3)n1)C	1800
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(C=4CC(ON=4)c5cccc(-n6ncnc6)c5)n3)n1)C	4717
+FC(F)(F)c1c(Cl)c(n(-c2cnc(S(=O)(=O)N)cc2)n1)-c3ccc(cc3)Br	697
+FC(F)(F)c1cc(n(n1)C)Oc2cccc(CNC)n2	695
+FC(F)(F)c1cc(Oc2nc(CN)ccc2)n(n1)C	421
+FC(F)(F)c1nn(CC(O)=O)c(Cl)c1	3
+FC(F)(F)c1cc(nc(-c2ccncc2)n1)Nc3c(ccc(c3)N)C	0
+FC(F)(F)c1cc(Nc2cc(NC(=O)c3ccc(cc3)CCl)ccc2C)nc(-c4ccncc4)n1	50
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(=O)C3(CCC(C3)N)C(C)C	12
+FC(F)(F)c1cc(nc(c1C(O)=O)Cl)Cl	4598
+FC(F)(F)c1cc(NCc2ncccc2)nc(c1Cl)Cl	395
+FC(F)(F)c1cc(nc(c1)C(N)=O)F	4709
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1)c(cn2)C(O)=O	1
+FC(F)(F)c1c2ccc3n(cc(C(=O)OC)n3)c2nc(O)c1	4759
+FC(F)(F)c1cc(ncc1)-n2nc(c(c2)CCCO)C(C)C	44
+FC(F)(F)c1cc(ncc1)-n2cc(CCCOc3c(cccc3OC)CC(O)=O)c(C(C)C)n2	4
+FC(F)(F)c1cc(ncc1)-n2cc(CCCOc3c(OC)cccc3CC(OC)=O)c(C(C)C)n2	126
+FC(F)(F)c1ccnc(CNC(=O)c2nnn(CC(CCc3sc(NC(=O)Cc4ccccn4)nn3)F)c2)c1	312
+FC(F)(F)c1ccnc(NC(=O)c2cc(N)c([N+]([O-])=O)cn2)c1	4760
+FC(F)(F)c1cc2nc(cn2cc1)-c3c(cccc3)S(=O)(=O)CC	440
+FC(F)(F)c1cc(ncc1)Nc2nc(Br)cc(c2)[N+]([O-])=O	834
+FC(F)(F)c1cc(ncc1)Nc2nc(-c3scnc3)cc(C)c2	2332
+FC(F)(F)c1ccnc(Nc2cc(cc(Br)n2)N)c1	0
+FC(F)(F)c1c(CO)cnc(Nc2ccc(cc2Cl)Cl)c1	4051
+FC(F)(F)c1c(c2CCC(N3C(C(=O)Nc(c1)c23)=O)P(OCC)(OCC)=O)[N+]([O-])=O	2166
+FC(F)(F)c1c(F)cc2C(CC(C)Nc2c1)=O	2931
+FC(F)(F)c1c(C)cc2c(c1)N(CCCC2O)C(=O)OC(C)(C)C	74
+FC(F)(F)c1c(cc2C(N)CCCN(C(OC(C)(C)C)=O)c2c1)C	18
+FC(F)(F)c1c(O)cc2c(c1)NCC2	5
+FC(F)(F)c1nn2c(COC)ccc(C(CC)=O)c2c1	716
+FC(F)(F)c1cc2c(cc1)N(C(CN2C(c3ccc(Cl)c(c3)Cl)c4nnn[nH]4)CC)C(=O)OCC	420
+FC(F)(F)c1c(cc2NC(=O)C(=O)N(OCc3ccccc3)c2c1)-n4c(C)ncc4	4761
+FC(F)(F)c1cc2c([nH]1)ncc(c2)CNc3cc(ncn3)C(=O)C	40
+FC(F)(F)c1ccc2nc(cc(OCc3ccc(cc3)OC)c2c1)C(=O)OCC	139
+FC(F)(F)c1cc2c(cc1)CCN(C(c3nn4cc(cnc4c3)Br)=O)C2C	147
+FC(F)(F)c1ccc2c(nc(-c3ccccc3SCC)nc2c1)N	266
+FC(F)(F)c1ccc2c(c1)n(cc2)C(C)(C)C(=O)N3CCN(c4ccc(cc4)S(=O)(=O)Nc5sccn5)C(=O)C3	348
+FC(F)(F)c1cc2c(cc1)nccc2OCCCCCOC3=COC(COS(=O)(=O)C)=CC3=O	2178
+FC(F)(F)c1cc2[nH]cc(C)c2cc1OC	4762
+FC(F)(F)c1cc2c(cc1OC)c(C)c([nH]2)C(O)=O	6
+FC(F)(F)c1nn2c(c(C=O)ccc2I)c1	200
+FC(F)(F)c1cc(Br)c2c(c1)cc(s2)C(=O)O	1
+FC(F)(F)c1cc2c(ccc(OC)n2n1)C(CC)=O	716
+FC(F)(F)c1cc2c(c(N)c1N(C)C)n(CC)c(n2)C	13
+FC(F)(F)c1ccc2oc(nc2c1)-c3ccncc3-c4cccnc4	4763
+FC(F)(F)c1cc2ncc(c(OCCCCCOC3=COC(COS(=O)(=O)C)=CC3=O)c2cc1)C(=O)OCC	2178
+FC(F)(F)c1c(C(OC)=O)n(cc1)-c2ccc(cc2)Cl	4412
+FC(F)(F)c1ccc(-c2c(OC)ccc(CC(O)=O)c2)c(CN(CC)C(NCc3ccc(cc3)Cl)=O)c1	3
+FC(F)(F)c1ccc(cn1)-c2c(cnc(c2)CN3C(=O)c4ccccc4C3=O)Cl	2181
+FC(F)(F)c1ccc(-c2c3NC(N(c4ccc(cc4)O)c3ncn2)=O)c(F)c1	5
+FC(F)(F)c1ccc(-c2cc(ccc2OC)CC(=O)N)c(CN(CC)C(C3CC3)=O)c1	527
+FC(F)(F)c1cc(CN)c(-c2c(OC)ccc(c2)C(C)C)cc1	9331
+CC(C)(C)C(Nc1c(ccc(-c2nc3n(cc(-c4ccccc4F)cc3)c2)c1)C(F)(F)F)=O	89
+FC(F)(F)c1cc(c(cc1)-c2ncnc(Nc3cc4cc[nH]c4cc3)c2N)F	193
+FC(F)(F)c1cc(c(cc1)-c2c(N)c(ncn2)Nc3ccc(cc3)OC)F	193
+FC(F)(F)c1ccc(c(c1)N)-c2cc(ncn2)Oc3c4c(ccc3)sc(NC(C)=O)n4	78
+FC(F)(F)c1ccc(-c2nnc(cc2)NC(=O)c3ccc(cc3)Oc4cc5OCCC(c5cc4Cl)C(O)=O)c(Cl)c1	3
+FC(F)(F)c1c(cc(cc1)-n2c(CO)nnn2)C#N	59
+FC(F)(F)c1ccc(-c2nnc(cc2)NC(=O)c3ccc(cc3)Oc4c(cc5C(C(OCC)=O)CCOc5c4)Cl)c(Cl)c1	519
+FC(F)(F)c1ccc(c(OC)c1)-c2nc(cc3cc(ccc23)S(=O)(=O)N(Cc4ccc(cc4)OC)c5nccs5)Cl	119
+FC(F)(F)c1cc(c(Br)cc1)Cn2nc(nn2)C	4764
+FC(F)(F)c1cc(c(cc1)Br)S	3066
+FC(F)(F)c1ccc(Br)c(S(=O)(=O)NC)c1	71
+FC(F)(F)c1ccc(-c2ccc(c(c2)F)N)cc1F	2111
+FC(F)(F)c1ccc(cn1)C=C	3067
+FC(F)(F)c1nc(c(cc1)C#N)-c2cc(C)ccc2	140
+FC(F)(F)c1ccc(cc1F)C(O)CBr	74
+FC(F)(F)c1cc(c(cc1)C(=O)Nc2ccnc(c2)OC)F	50
+FC(F)(F)c1ccc(cc1OC)C=O	760
+FC(F)(F)c1ccc(c(c1)OCC)C(N(OC)C)=O	280
+FC(F)(F)c1c2NC(N(c2c(cc1)C(CC)CC)C)=O	191
+FC(F)(F)c1cc(NCC)c(C=O)cc1	760
+FC(F)(F)c1ccc(C(O)=O)c(C2CC2)c1	1
+FC(F)(F)c1ccc(C(=O)O)c(c1)OCC	6
+FC(F)(F)c1cc(F)c(CCC(O)=O)cc1	159
+FC(F)(F)c1ccc(C=CC(=O)O)c(c1)OCC	127
+FC(F)(F)c1nc(Cl)c(C=CC(O)=O)cc1	127
+FC(F)(F)c1cc(OC)c(CC[N+]([O-])=O)cc1	364
+FC(F)(F)c1ccc(CC[N+]([O-])=O)c(C2CC2)n1	3068
+FC(F)(F)c1ccc(C=O)c(c1)Oc2cc(C#N)ccc2	46
+FC(F)(F)c1ccc(C=C[N+](=O)[O-])c(c1)OC	417
+FC(F)(F)c1ccc(C=CC(=O)OC)c(OCC)c1	530
+FC(F)(F)c1cc(Oc2cc(C#N)ccc2)c(CO)cc1	41
+FC(F)(F)c1nc(c(CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)cc1)C5CC5	14
+FC(F)(F)c1ccc(CCN)c(n1)C2CC2	157
+FC(F)(F)c1oc(CN2c3ccccc3C(O)(c4cc5c(cc4O)OCO5)C2=O)cc1	3746
+FC(F)(F)c1ccc(CN2C(=O)C(O)(c3ccccc23)c4nc5OCOc5cc4O)o1	9332
+FC(F)(F)c1oc(CN2c3ccccc3C(c4c(O)cc5OCOc5n4)C2=O)cc1	4765
+FC(F)(F)c1nc(CO)c(CN2C(=O)N3C=CC(c4ccc(cc4)Cl)=C(c5ccncc5)C3=N2)cc1	59
+FC(F)(F)c1ccc(o1)CN2C(=O)C(c3c(O)ccc(OC)n3)c4c(Br)cccc24	4765
+FC(F)(F)c1ccc(o1)CN2c3cccc(Br)c3C4(c5c(ccc(n5)OC)OC4)C2=O	9333
+FC(F)(F)c1ccc(c(-c2c(cc([nH]2)-c3ccnc(n3)N)C(=O)O)c1)Cl	6
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)C(C)=O)=O	86
+FC(F)(F)c1ccc(Cl)c(C(NC2CCC(CC2)C(C)O)=O)c1	684
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CNc3cncc(c3)C)=O	839
+FC(F)(F)c1ccc(Sc2ccc(cc2)NC(=O)C)c(c1)[N+](=O)[O-]	825
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CO)=O	21
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)C(=O)O)=O	4
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COC)=O	21
+FC(F)(F)c1ccc(Cl)c(C(NC2CCC(CC2)C(Nc3ccccc3)C)=O)c1	231
+FC(F)(F)c1ccc(Cl)c(C(NC2CCC(CC2)C=O)=O)c1	24
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COS(=O)(=O)C)=O	7
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CO)=O	88
+FC(F)(F)c1nnc(Oc2cc(ccc2C=CC(=O)OCC)OCCOC)cc1	1119
+FC(F)(F)c1ccc(Cn2ncc3c(cccc23)[N+](=O)[O-])nc1	9334
+FC(F)(F)c1ccc(nc1)Cn2c3c(cn2)c(N)ccc3	0
+FC(F)(F)c1ccc(F)c(-c2noc(c2C(O)c3cccnc3)-c4cc(Cl)ccc4)c1	9335
+FC(F)(F)c1cc(Br)c(cc1)Oc2cc(c(cc2)C)Oc3ccc(c(C)c3)CCC(=O)OCC	46
+FC(F)(F)c1cc(c(I)c(C)c1)[N+]([O-])=O	31
+FC(F)(F)c1ccc(c(O)c1)NC(Nc2ccccc2)=O	124
+FC(F)(F)c1cc(I)c(N)c(c1)C(=O)OC	235
+FC(F)(F)c1ccc(N2C(CN(Cc3c(-c4[nH]c5ccncc5n4)n[nH]c3)CC2)C)nc1	9336
+FC(F)(F)c1ccc(N2CCC(OS(=O)(=O)C)C2)nc1	7
+FC(F)(F)c1ccc(N2CCCCC2)c(NS(=O)(=O)c3ccc(cc3)C)c1	69
+FC(F)(F)c1ccc(N2CCCCC2)c(N)c1	0
+FC(F)(F)c1ccc(N2CCN(Cc3cn[nH]c3CO)CC2C)nc1	194
+FC(F)(F)c1ccc(N2C(CN(Cc3c[nH]nc3C=O)CC2)C)nc1	178
+FC(F)(F)c1ccc(nc1)N2CCN(Cc3c[nH]nc3-c4ccc5c(C(NC(=O)O5)=O)c4)CCC2	678
+FC(F)(F)c1cc(c(cc1)N2c3ccccc3CC2)N	0
+FC(F)(F)c1ccc2N=C(c3cc(ccc3)-c4c(cc(nc4)C5CC5)C)CC(=O)Nc2c1	690
+FC(F)(F)c1ccc(Nc2ccc(nc2)-c3ccc(cc3)C4CCC(CC4)CC(O)=O)cn1	4
+FC(F)(F)c1cc2nc(oc2cc1)-c3c(I)cncc3	3069
+FC(F)(F)c1cc2c(oc(-c3ccnc(Cl)c3)n2)cc1	3069
+FC(F)(F)c1cc(c(cc1)O)C(=O)C	5
+FC(F)(F)c1ccc(OCCCOc2c(cc(cc2Cl)O)I)nc1	818
+FC(F)(F)c1cc(c(OCc2c(F)cc(F)cc2)cc1)-c3c(cccc3)-c4ccc(cc4C(OC)=O)NC(=O)C	11
+FC(F)(F)c1ccc(c(-c2ccc(N)cc2Cl)c1)OCc3ccccc3	11
+FC(F)(F)c1cc(-c2ccccc2-c3ccc(NC(C)=O)cc3C(=O)OCC)c(OCc4ccccc4)cc1	11
+FC(F)(F)c1cc(c(cc1)Oc2c(OC)ccc(CC(=O)OCC)c2)CNC3C(O)Cc4c3cccc4	42
+FC(F)(F)c1ccc(Oc2cc(Sc3cc(c(cc3)OCC(=O)OCC)C)cc(c2)Br)nc1	1336
+FC(F)(F)c1cc(c(cc1)Oc2cccc(CC(O)=O)c2)CNC	42
+FC(F)(F)c1ccc(nc1)Oc2cc(cc(C)c2)CP(OCC)(OCC)=O	1060
+FC(F)(F)c1ccc(Oc2cc(Sc3ccc(OCC(=O)O)c(C)c3)cc(C#CCN4CCOCC4)c2)nc1	3
+FC(F)(F)c1ccc(c(CO)c1)Oc2cccc(c2)C(C(=O)O)C	41
+FC(F)(F)c1ccc(Oc2cc3ccc(C(O)=O)nc3cc2)cn1	1
+FC(F)(F)c1ccc(Oc2ccc(cc2)C=C)cn1	443
+FC(F)(F)c1ccc(cn1)Oc2ccc(cc2)CCOC(=N)N	4753
+FC(F)(F)c1ccc(nc1)Oc2ccc(cc2)OC(C)CO	44
+FC(F)(F)c1cc(N)c(S(=O)(=O)Nc2ccc(c3cccnc23)Cl)cc1	0
+FC(F)(F)c1cc(N)c(Sc2ccc(cc2)NC(=O)C)cc1	0
+FC(F)(F)c1ccc(N)c(O)c1	0
+FC(F)(F)c1cc(-c2c(C(N)=O)cc([nH]2)-c3ccnc(n3)N)c(Cl)cc1	393
+FC(F)(F)c1cc(-c2ccc(cc2Cl)N)c(O)cc1	16
+FC(F)(F)c1cc(c(cc1)-c2cn(C)c3cc(ccc23)S(=O)(=O)Oc4c(F)c(F)c(c(F)c4F)F)-c5n(ncc5)C	550
+FC(F)(F)c1ccc(I)c(c1)C	1252
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2ccc(c(CO)c2)Cl	98
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2cc(C=O)c(Cl)cc2	39
+FC(F)(F)c1ccc(C=C[N+]([O-])=O)c(C2CC2)n1	4766
+FC(F)(F)c1ccc(O)c(C=2CCCCC=2c3cccc(C(=O)OCC)n3)c1	16
+FC(F)(F)c1ccc(c(c1)CO)-c2cc(-c3ccc(C(=O)OC)cc3C)ccc2OC	9337
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)Nc2cc(Cl)c(OCC(OCC)OCC)cc2	33
+FC(F)(F)c1nc(c(cc1)-c2nccc(c2)CNC(=O)C3CC(F)CN3S(=O)(=O)c4ccc(cc4)F)NC	182
+FC(F)(F)c1ccc(O)c(NC(=O)c2ccncc2I)c1	67
+FC(F)(F)c1cc(c(OC)cc1)NC(Nc2ccc(cc2)Oc3ccnc(NCCCO)n3)=O	4767
+FC(F)(F)c1nc(N)c(CO)cc1	295
+FC(F)(F)c1nc(c(CNC(=O)C(c2ccc(c(C)c2)CN)C)cc1)N3CCCC3	107
+FC(F)(F)c1ccc(c(NC(=O)Nc2cccc(c2)I)c1)F	124
+FC(F)(F)c1ccc(c(NC(Nc2ccc(cc2)-c3ccc4c(n[nH]c4n3)N)=O)c1)F	124
+FC(F)(F)c1ccc(c(n1)O)C(=O)O	1
+FC(F)(F)c1cc(N)c(S(=O)(=O)Nc2c3c(c(cc2)F)cccn3)cc1	0
+FC(F)(F)c1cc(-c2c(OC3CCCC3)ncc(C(=O)O)c2)c(cc1)Cl	1
+FC(F)(F)c1cc(c(CNc2cc(c(cc2)-c3ccc(cc3C)Cl)Cl)cc1)Br	608
+FC(F)(F)c1ccc(c(c1)Br)Sc2ccc(cc2)Cl	826
+FC(F)(F)c1ccc(C=O)c(c1)OCC	760
+FC(F)(F)c1ccc(c(c1)[N+]([O-])=O)C(=O)N(C)OC	280
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCNc4c(cc(cc4)C(F)(F)F)[N+](=O)[O-]	53
+FC(F)(F)c1cc(N)c(C(N(OC)C)=O)cc1	0
+FC(F)(F)c1cc([N+]([O-])=O)c(cc1)Nc2c(cc(OC)c(CC)c2)OC	275
+FC(F)(F)c1ccc(N2CCc3c2cccc3)c([N+](=O)[O-])c1	4434
+FC(F)(F)c1ccc(c(c1F)F)-c2sc(COc3ccc4ccn(CC(O)=O)c4c3)c(C)n2	32
+FC(F)(F)c1nc(OC)c(cc1)CN2N=C3C(c4ccncc4)=C(c5ccc(cc5)Cl)C=CN3C2=O	4768
+FC(F)(F)c1ccc(O)c2c1cc(C(=O)OCC)n2C	321
+FC(F)(F)c1ccc(cc1)-c2c(nc([nH]2)NC(c3c(ncc(CNC(=O)C(C)C)c3)C(F)F)=O)C	4769
+FC(F)(F)c1ccc(cc1)-c2nc(CCOS(=O)(=O)C)oc2Br	7
+FC(F)(F)c1ccc(cc1)-c2c(Br)oc(CCO)n2	59
+FC(F)(F)c1ccc(cc1)-c2ccccc2C(=O)Nc3ccc(cc3)C=CCN	1764
+FC(F)(F)c1ccc(cc1)-c2cc(CN(C)C)ccc2C(=O)O	1
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(=O)NCCC(O)=O	4
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(O)=O	1
+FC(F)(F)c1ccc(cc1)-c2c(ccc(CC(OCC)=O)c2)I	158
+FC(F)(F)c1ccc(cc1)-c2c(cc(cc2)C(CCCCCC)Oc3c(cc(cc3)C(NCCC(O)=O)=O)F)C	3
+FC(F)(F)c1ccc(cc1)-c2ccccc2C(=O)Nc3ccc(cc3)I	50
+FC(F)(F)c1ccc(cc1)-c2c3c(sc2C)cc(OCCNC)cc3	285
+FC(F)(F)c1ccc(cc1)-c2c3c(cc(cc3)C#CCCCOS(=O)(=O)C)sn2	7
+FC(F)(F)c1ccc(cc1)-c2c3c(sc2C)cc(cc3)OCCOS(=O)(=O)C	7
+FC(F)(F)c1ccc(cc1)-c2nc(n(-c3ccc(cc3)[N+]([O-])=O)c2)Cc4ccc(cc4)Br	431
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)C(CCC)C(OCC)=O)Oc3ccc(cc3)F	472
+FC(F)(F)c1ccc(cc1)-c2cc(cc(C3CN(Cc4cc5c(cccc5)cc4)CCC3)c2)C(C(=O)OCC)CC(C)C	131
+FC(F)(F)c1ccc(cc1)-c2cc(COc3ccc(c(c3)C)CCCCn4ccnn4)cnc2	751
+FC(F)(F)c1ccc(cc1)-c2cc(F)c(c(c2)N)NC=O	0
+FC(F)(F)c1ccc(cc1)-c2cc(C(C(OCC)=O)CCC)cc(c2)O	16
+FC(F)(F)c1ccc(cc1)-c2cc(C3CCCNC3)cc(C(C(=O)OCC)CC(C)C)c2	1446
+FC(F)(F)c1ccc(cc1)-c2cc(cc(C(CC(C)C)C(O)=O)c2)C3CN(Cc4cc5c(cccc5)cc4)CCC3	3
+FC(F)(F)c1ccc(cc1)-c2cc(cc(Cl)n2)CC(=O)OC	9338
+FC(F)(F)c1ccc(cc1)-c2cc(cc(CNC(CN(S(=O)(=O)c3ccc(cc3)F)C)=O)c2)F	9
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)CN)F	107
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCC)Cc3ccc(OCC(=O)OCC)c(C)c3)c2	507
+FC(F)(F)c1ccc(cc1)-c2cncc(CO)c2	295
+FC(F)(F)c1ccc(cc1)-c2cc(n(C)n2)COc3ccc4ccn(CC(=O)O)c4c3	3
+FC(F)(F)c1ccc(cc1)-c2cc(n(n2)C)CCOc3cc4c(ccn4CC(=O)O)cc3	3
+FC(F)(F)c1ccc(cc1)-c2ncnc(Oc3c4c(ccc3)sc(N)n4)c2	4751
+FC(F)(F)c1ccc(cc1)-c2cc3c(cc2)N(CC3(C)C)S(=O)(=O)c4ccc(cc4)N(C)CC(=O)O	3
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2C)C(O)CCCCCC	74
+FC(F)(F)c1ccc(cc1)-c2ccc(C(=O)CCCCCC)cc2C	1740
+FC(F)(F)c1ccc(cc1)-c2ccc(nn2)COC	629
+FC(F)(F)c1ccc(cc1)-c2nc(c(C=O)cc2)Oc3ccccc3Cl	136
+FC(F)(F)c1ccc(cc1)-c2ccc(CO)nc2	453
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(CCO)cc2	21
+FC(F)(F)c1ccc(cc1)-c2ccc(NS(=O)(=O)C)cc2CO	98
+FC(F)(F)c1ccc(cc1)-c2ccc(N)c(CO)c2	98
+FC(F)(F)c1ccc(cc1)-c2nc(COC)c(cc2)CO	295
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)CO	217
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C=Cc3ccc(OCC(OC)=O)c(c3)C	722
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C(CCCCCC)O	758
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NC(CC(C)C)c3ncc(cc3)C(=O)O	1
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NC(c3ccc(cn3)C(NCc4[nH]nnn4)=O)CC(C)C	56
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NCc3ccc(OC)cc3-c4cnc(C(=O)NCCC(=O)O)cc4	3
+FC(F)(F)c1ccc(cc1)-c2nnc(cc2)CO	88
+FC(F)(F)c1ccc(cc1)-c2ccc(nn2)COc3cc(c(cc3)OC(C)(C)C(O)=O)C	3
+FC(F)(F)c1ccc(cc1)-c2cc3c(cc2)N(CC3(C)C)S(=O)(=O)c4ccc(cc4)N(CC(OCC)=O)C	416
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3c(C)cc(cc3C)C=CC(OCC)=O)ccc2	20
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3ccc(cc3)CC(=O)OC)ccc2	20
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCC)Cc3ccc(OCC(=O)O)c(C)c3)c2	3
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCCCC)Cc3ccc(OCC(=O)O)c(C)c3)c2	3
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)N(Cc3cc(C)c(OCC(=O)OCC)cc3)CCCC	507
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)N(Cc3ccc(OCC(=O)O)c(C)c3)CCCC	3
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCCCC)Cc3cc(C)c(OCC(=O)OCC)cc3)c2	507
+FC(F)(F)c1ccc(cc1)-c2c(C(=O)Nc3ccc(cc3)C=CCN4C(c5c(C4=O)cccc5)=O)cccc2	1046
+FC(F)(F)c1ccc(cc1)-c2ccnc(n2)C=3CCC4(CCN(C4=O)C)N=3	9339
+FC(F)(F)c1ccc(cc1)C2CCNCC2	1413
+FC(F)(F)c1ccc(cc1)-c2ccc(nc2)COc3cc(C)c(cc3)CCCCn4nncc4	412
+FC(F)(F)c1ccc(cc1)-c2cnc(N3CCN(CC3)C(OCC(=O)NC)=O)cc2	271
+FC(F)(F)c1ccc(cc1)-c2c[n+]([O-])ccc2	341
+FC(F)(F)c1ccc(cc1)-c2coc(CCO)n2	44
+FC(F)(F)c1ccc(cc1)-c2nc(oc2)CCOC(=O)C	204
+FC(F)(F)c1ccc(cc1)-c2n(C)c(c(n2)C=O)C	614
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(C)=NNC(c3sc(cc3)C(=O)OC)=O)c2O	2398
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(C)=NNC(=O)c3ccc(C(=O)O)s3)c2O	1
+FC(F)(F)c1ccc(cc1)-c2oc(-c3ccc(cc3)C#N)c(C(O)=O)n2	1
+FC(F)(F)c1ccc(cc1)-c2oc(C(CO)C)c(C(C)C)n2	44
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3c(C)cc(cc3C)C=CC(O)=O)ccc2	108
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3ccc(cc3)CC(O)=O)ccc2	4
+FC(F)(F)c1ccc(cc1)-c2sc(CNc3ccc(cc3)C4CC4C(=O)O)c(C)n2	9340
+FC(F)(F)c1ccc(cc1)-c2nc(c(CCOc3ccc(CCC(OCC)=O)c4ccccc34)cc2)C	20
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(CCO)cc2	88
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(COc3cc4n(CC(=O)O)cc(Cl)c4cc3)s2	32
+FC(F)(F)c1ccc(cc1)-c2ccc(CC(=O)O)c(C)n2	4
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(CCOC)cc2	21
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(s2)COc3cc(F)c(C=4NC(ON=4)=O)cc3	9341
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(s2)COc3cc(F)c(cc3)C(NO)=N	181
+FC(F)(F)c1ccc(cc1)-c2nc(c(s2)CO)CCCOCc3ccccc3	1503
+FC(F)(F)c1ccc(cc1)-c2ccnc(I)n2	2531
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)-c3ccc(cc3)-c4ccc(cc4)C=O)C	11
+FC(F)(F)c1ccc(cc1)-c2sc(C)c(CCOCC)n2	21
+FC(F)(F)c1ccc(cc1)-c2nc(c(C)s2)CCOc3ccc(cc3)C(NN)=O	296
+FC(F)(F)c1ccc(cc1)-c2nc(c(C(=O)O)cc2)Oc3ccccc3Cl	3070
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(s2)COc3ccc(C#N)c(F)c3	2119
+FC(F)(F)c1ccc(cc1)-c2ncc(c(C3CC3)n2)COc4ccc5c(ccn5CC(=O)OCC)c4	2171
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)CCOc3c4c(cccc4)c(C=O)cc3)C	20
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(CC#N)n2	4275
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)COc3cc4ccn(CC(=O)OCC)c4cc3	547
+FC(F)(F)c1ccc(cc1)-c2nc(CCCOS(=O)(=O)C)c(s2)COc3ccc(c(OC)c3)C=4NOC(=O)N=4	710
+FC(F)(F)c1ccc(cc1)-c2nc(c3c(cccc3)n2)C(N4CCc5c(O)c(ccc5C4)OC)=O	147
+FC(F)(F)c1ccc(cc1)-c2cc(cc(N3CCCC3)n2)CNC(=O)C(=C)N(C)S(=O)(=O)c4ccc(cc4)Cl	4712
+FC(F)(F)c1ccc(cc1)-c2cccc(C(O)CCCC)n2	1394
+FC(F)(F)c1ccc(cc1)-c2nc(C(Oc3cc(C)c(cc3)OCC(=O)OCC)CC(C)C)ccc2	9342
+FC(F)(F)c1ccc(cc1)-c2csc(n2)N(CCC(C)C)Cc3ccc(cc3)COc4ccc(cc4)CCC(OC)=O	9343
+FC(F)(F)c1ccc(cc1)-c2nc3C(CN(S(=O)(=O)c4ccc(c(C)c4)OCC(=O)O)c3cc2)C(C)C	3
+FC(F)(F)c1ccc(cc1)-c2sc3c(CCN(C3)S(=O)(=O)c4cc(CC(OC)=O)ccc4C)n2	92
+FC(F)(F)c1ccc(cc1)-c2nc3C(CN(S(=O)(=O)c4cc(c(OCC(=O)OCC)cc4)C)c3cc2)C(C)C	4770
+FC(F)(F)c1ccc(cc1)-c2ncc(C(O)=O)c(C3CC3)n2	6
+FC(F)(F)c1ccc(cc1)-c2ncnc(Oc3c4c(sc(NC(Cc5ccccc5)=O)n4)ccc3)c2	290
+FC(F)(F)c1ccc(cc1)-c2nn(c(CCO)c2)C	21
+FC(F)(F)c1ccc(cc1)-c2nn(c(c2)CO)C	194
+FC(F)(F)c1ccc(cc1)-c2nn(c(COc3cc4c(ccn4CC(=O)O)cc3)c2C)C	3
+FC(F)(F)c1ccc(cc1)-c2nn(c3c2CN(CC3)S(=O)(=O)C)CCCN4CCN(CC4)c5c(cccc5Cl)N	0
+FC(F)(F)c1ccc(cc1)-c2cc(C(=O)O)on2	6
+FC(F)(F)c1ccc(cc1)-c2c3ccc(O)cc3sn2	5
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(c(CC(O)=O)cc3)C)C)c(C(C)C)n2	4
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(CCOc3ccc4c(c3)ccn4CC(O)=O)n2	3
+FC(F)(F)c1ccc(cc1)-c2nc(c(o2)C)CCO	21
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(CCOc3ccc4n(ccc4c3)CC(=O)OCC)n2	267
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)COc3ccc4c(c3)ccn4CC(O)=O	3
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)COc3ccc4n(CC(=O)NS(=O)(=O)C)ccc4c3	344
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)-c3ccc(cc3)-c4ccc(cc4)CNO)C	1059
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)-c3ccc(cc3)-c4ccc(cc4)C=NO)C	135
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)-c3ccc(cc3)-c4ccc(cc4)CN5OC(=O)NC5=O)C	4771
+FC(F)(F)c1ccc(cc1)-c2sc(c(n2)CCO)C	665
+FC(F)(F)c1ccc(cc1)-c2sc(CCCc3cc(C)c(OCC(=O)OCC)cc3)c(C)n2	414
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(C#N)c(c3)F)c(CCCOCc4ccccc4)n2	2119
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(C(NO)=N)c(F)c3)c(CCCOCc4ccccc4)n2	181
+FC(F)(F)c1ccc(cc1)-c2nc(c(s2)COc3ccc(c(OC)c3)C=4NOC(=O)N=4)CCCO	118
+FC(F)(F)c1ccc(cc1)-c2sc(c(C)n2)CCOc3ccc4c(n(cc4CCC)CC(O)=O)c3	32
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(s2)C(CC)Oc3cc(F)c(C#N)cc3F	57
+FC(F)(F)c1ccc(cc1)-c2sc(CCC(c3ccc(c(c3)C)OCC(=O)OCC)O)c(C)n2	74
+FC(F)(F)c1ccc(cc1)-c2nc(c(C)s2)CCOc3ccc(cc3)C(OC)=O	20
+FC(F)(F)c1ccc(cc1)-c2sc3c(CCN(C3)S(=O)(=O)c4cc(ccc4C)CC(=O)O)n2	4
+FC(F)(F)c1ccc(cc1)-c2c3c(cncc3)c(nn2)N4CCNC(C4)C	519
+FC(F)(F)c1ccc(cc1)-c2ccc(C=O)c(Cl)n2	140
+FC(F)(F)c1ccc(cc1)-c2nc(ccc2)C=O	119
+FC(F)(F)c1ccc(cc1)-c2ccc(NS(=O)(=O)C)cc2C(=O)OC	11
+FC(F)(F)c1ccc(cc1)-c2cc(c(CO)s2)C	268
+FC(F)(F)c1ccc(cc1)-c2c(N)ccc(c2)CC(OCC)=O	134
+FC(F)(F)c1ccc(cc1)-c2cc(F)c(c([N+](=O)[O-])c2)NC=O	11
+FC(F)(F)c1ccc(cc1)C2=CN(C(c3c2cc(OC)cc3)=O)c4ccc(C=O)c(c4)OC	2220
+FC(F)(F)c1ccc(cc1)-c2nc(ccc2)C(=O)CCCC	119
+FC(F)(F)c1ccc(cc1)-c2cc(cc(Cl)n2)C	119
+FC(F)(F)c1ccc(cc1)-c2cccc(N)c2	134
+FC(F)(F)c1ccc(cc1)-c2ccc(c(C(OC)=O)c2)N	11
+FC(F)(F)c1ccc(cc1)-c2cc(cnc2)C(=O)OC	89
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)OCc3ccccc3)CC(=O)OCC	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C=O	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)N	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NCc3ccc(OC)cc3-c4cnc(C(=O)NCCC(OCC)=O)cc4	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C(OCC)=O	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C=C	11
+FC(F)(F)c1ccc(cc1)C=2c3cc(OC)ccc3C(N(c4ccc(cc4)OC)C=2)=O	2220
+FC(F)(F)c1ccc(cc1)-c2ccc(C=O)nc2	89
+FC(F)(F)c1ccc(cc1)-c2n3cc(Br)ccc3nc2	4772
+FC(F)(F)c1ccc(cc1)C#Cc2ccc(cc2)OC3OCCCC3	455
+FC(F)(F)c1ccc(cc1)-c2ccncc2	498
+FC(F)(F)c1cc(c(cc1)C)[N+]([O-])=O	31
+FC(F)(F)c1ccc(cc1)C#Cc2n(C)ncc2	2349
+FC(F)(F)c1ccc(cc1)C#CCCCOc2ccc3ccn(CC(O)=O)c3c2	3
+FC(F)(F)c1ccc(cc1)CCc2n(ncc2)C	801
+FC(F)(F)c1ccc(cc1)C(=O)C=O	9344
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(=O)C)c2O	4268
+FC(F)(F)c1ccc(cc1)-c2coc(n2)C(CO)Oc3c(c(c(F)cc3)C(=O)N)F	4773
+FC(F)(F)c1ccc(cc1)C(NCCc2cc(ccc2)F)=O	93
+FC(F)(F)c1ccc(cc1)C(=O)NCCc2c(OC)cccc2	93
+FC(F)(F)c1ccc(cc1)C(=O)Nc2ccc(cc2)Cc3c4c(n(c3C)CC(OCC)=O)cccc4	50
+FC(F)(F)c1ccc(cc1)C(=O)NCCc2ccccc2	93
+FC(F)(F)c1ccc(cc1)C(=O)NCCCOc2c(Cl)cc(cc2Cl)O	16
+FC(F)(F)c1ccc(cc1)C=2c3cccc(OC)c3CCN=2	1753
+FC(F)(F)c1ccc(cc1)C=2c3c(CCN=2)cccc3	1753
+FC(F)(F)c1ccc(cc1)C(=O)Nc2ccc(cc2)Cc3c(n(c4ccccc34)CC(=O)O)C	3
+FC(F)(F)c1ccc(cc1)-c2nc(CCCOCc3ccccc3)c(C(OCC)=O)s2	2242
+FC(F)(F)c1ccc(cc1)C(O)C(C(=O)OCC)Cc2ccc(cc2)F	2261
+FC(F)(F)c1ccc(cc1)C2OC(NC2Cc3ccc(cc3)F)=O	3064
+FC(F)(F)c1ccc(cc1)-c2cn3cc(-c4ccccc4)ccc3n2	440
+FC(F)(F)c1ccc(cc1)C(C(C(=O)OCC)Cc2ccc(cc2)F)=O	9345
+FC(F)(F)c1ccc(cc1)C(=O)NCCCOc2c(Cl)cc(cc2Cl)OCc3ccccc3	20
+FC(F)(F)c1ccc(cc1)C2=NCCc3cc(ccc23)F	1753
+FC(F)(F)c1ccc(cc1)C(=O)C2C(N(C(C)=O)c3c2cc(cc3)[N+](=O)[O-])=O	3071
+FC(F)(F)c1ccc(cc1)C(C(Cc2ccc(cc2)F)C(O)=O)O	3
+FC(F)(F)c1ccc(cc1)C(O)C(Cc2ccc(cc2)F)NC(c3c4c(cccc4)c(F)cc3)=O	14
+FC(F)(F)c1ccc(cc1)C(c2c(c3C(CC(C)(C)Oc3cc2C(C)C)=O)C4=CCCCC4)=O	335
+FC(F)(F)c1ccc(cc1)C(=O)c2c(C(C)C)cc3c(c2C4=CCCCC4)C(O)CC(C)(C)O3	74
+FC(F)(F)c1ccc(cc1)C23CN(CCCN4C=C(C(=O)NC4=O)c5c(F)nc(C)cc5)CC2C3	61
+FC(F)(F)c1ccc(cc1)C=2c3c(C(N(c4ccc(c(c4)OC)CO)C=2)=O)ccc(OC)c3	41
+FC(F)(F)c1ccc(cc1)C2c3c(cc(cc3)F)CCN2	2262
+FC(F)(F)c1ccc(cc1)-c2c(O)nccc2	4774
+FC(F)(F)c1ccc(cc1)C2CCN(CC2)c3nc4ccc(C(O)=O)cc4nc3-c5ccc(cc5)F	1
+FC(F)(F)c1ccc(cc1)C2CCN(CC2)c3c(-c4ccc(cc4)F)nc5cc(ccc5n3)C(=O)OC	1322
+FC(F)(F)c1ccc(cc1)C2CC(CN(C(Oc3ccc(cc3)[N+]([O-])=O)=O)C2)NC(c4ccccc4)=O	66
+FC(F)(F)c1ccc(cc1)C2c3ccccc3CCN2C(=O)Nc4ccccc4	326
+FC(F)(F)c1ccc(cc1)C2c3c(cccc3)CCN2C(=O)Oc4ccccc4	66
+FC(F)(F)c1ccc(cc1)C(O)C(Cc2ccc(cc2)F)N	886
+FC(F)(F)c1ccc(cc1)C2c3ccc(F)cc3CCN2C(=O)Nc4ccc(cc4)F	326
+FC(F)(F)c1ccc(cc1)C2NCCc3c2cccc3	2262
+FC(F)(F)c1ccc(cc1)C2c3cccc(c3CCN2)OC	2262
+FC(F)(F)c1ccc(cc1)CCCC2CCN(CC2)C(=O)OC(C)(C)C	374
+FC(F)(F)c1ccc(cc1)CC[N+](=O)[O-]	364
+FC(F)(F)c1ccc(cc1)C=Cc2occ(C(O)=O)n2	6
+FC(F)(F)c1ccc(cc1)C=Cc2nc(C(=O)Nc3ccc(cc3)CCCCn4ccnn4)co2	3862
+FC(F)(F)c1ccc(cc1)C=Cc2nc(COc3ccc(cc3)CCCCn4c(ncc4)CC(O)CO)co2	547
+FC(F)(F)c1ccc(cc1)C=Cc2nc(COc3ccc(cc3)CCCn4ccnn4)co2	547
+FC(F)(F)c1ccc(cc1)C(=NO)Cl	761
+FC(F)(F)c1ccc(cc1)C	3072
+FC(F)(F)c1ccc(cc1)C=NO	135
+FC(F)(F)c1ccc(cc1)C=C[N+](=O)[O-]	417
+FC(F)(F)c1ccc(cc1)CNc2[nH]c(Nc3cc(Cl)c(c(Cl)c3)C#N)nn2	4775
+FC(F)(F)c1ccc(cc1)C=C(C#N)c2ccc(cc2)OCCCCCCCCO	9346
+FC(F)(F)c1ccc(cc1)CN2CCC3(CC2)CN(CC3)C(c4ccc(cc4)-c5oc6c(C(C)C)cc(C#N)cc6n5)=O	131
+FC(F)(F)c1ccc(cc1)CON=C(CC)c2ccc(cc2)OCC(OCC)=O	2236
+FC(F)(F)c1ccc(cc1)CN(C2CCCCC2C(N)=O)S(=O)(=O)c3ccc(cc3)Cl	692
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(C)c(OCC(OCC)=O)cc3	2236
+FC(F)(F)c1ccc(cc1)Cn2c3ccccc3c4CCN(Cc24)C(=O)OCc5ccccc5	190
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(nc2)OCC(OC)=O)C	2236
+FC(F)(F)c1ccc(cc1)CC(=O)C(OCC)OCC	9347
+FC(F)(F)c1ccc(cc1)CC(C(c2ccccc2)O)C(O)=O	3
+FC(F)(F)c1ccc(cc1)CC2NC(OC2c3ccccc3)=O	3064
+FC(F)(F)c1ccc(cc1)CC(NC(c2c3c(cccc3)c(F)cc2)=O)C(O)c4ccccc4	14
+FC(F)(F)c1ccc(cc1)CCNc2cc(F)c(cc2)OC	4228
+FC(F)(F)c1ccc(cc1)CC(N)C(O)c2ccccc2	886
+FC(F)(F)c1ccc(cc1)CCCO	21
+FC(F)(F)c1ccc(cc1)CCC(NCCc2nc(c(OC)cc2)OC)=O	9
+FC(F)(F)c1ccc(cc1)CCC=2c3c(CCN=2)nc(OC)c(c3)OC	9348
+FC(F)(F)c1ccc(cc1)CCC=O	578
+FC(F)(F)c1ccc(cc1)CCC2CCC(CC2)C3CCC(CC3)CCC=O	9349
+FC(F)(F)c1ccc(cc1)CCC2CCC(CC2)C3CCC(CC3)CCCO	237
+FC(F)(F)c1ccc(cc1)CCC2CCC(CC2)C3CCC(CC3)CCCF	559
+FC(F)(F)c1ccc(cc1)CCC2CN(C=3c4cc(C)sc4Nc5ccccc5N=3)CCN2	3073
+FC(F)(F)c1ccc(cc1)CCC2NCCc3nc(c(OC)cc23)OC	9350
+FC(F)(F)c1ccc(cc1)CCC2OCC(CO2)CCC	3682
+FC(F)(F)c1ccc(cc1)CCC2NCCn3cnc(C)c23	9351
+FC(F)(F)c1ccc(cc1)CCCC2CCNCC2	2
+FC(F)(F)c1ccc(cc1)CCCC2CCN(CC2)c3ccc(cc3)OC4OCCCC4	560
+FC(F)(F)c1ccc(cc1)CCC=O	24
+FC(F)(F)c1ccc2c(C(=NCC2)C)c1	1120
+FC(F)(F)c1ccc(cc1)CCNc2cccc(c2)OC(C)(C)C(=O)O	3
+FC(F)(F)c1ccc(cc1)CCN	157
+FC(F)(F)c1ccc(cc1)CCc2c(C#N)cnn2C	4198
+FC(F)(F)c1ccc(cc1)CCc2n(ncc2-n3nccc3)C	9352
+FC(F)(F)c1ccc(cc1)CCc2c(cnn2C)I	1160
+FC(F)(F)c1ccc(cc1)CCc2c(-n3ncc(I)c3)cnn2C	1160
+FC(F)(F)c1ccc(cc1)CNC(C)=O	9
+FC(F)(F)c1ccc(cc1)CNC(c2cc(C(=O)C)ccc2OC)=O	14
+FC(F)(F)c1ccc(cc1)CNC(=O)c2cc3c(cc(cc3)OC)nc2-c4ccsc4	56
+FC(F)(F)c1ccc(cc1)CNC(c2c(OC)ccc(CC#N)c2)=O	14
+FC(F)(F)c1ccc(cc1)CNC(=O)N2CC(c3cc(ccc3)OC(C)(C)C(OCc4ccccc4)=O)CCC2	1132
+FC(F)(F)c1ccc(cc1)CN(C(=O)COc2ccc(cc2)CCSc3ccccc3C(=O)O)CC	1
+FC(F)(F)c1ccc(cc1)CN2n3cc(-c4ccccc4)cc3C(=C(C2=O)C(=O)NCC(=O)O)O	9353
+FC(F)(F)c1ccc(cc1)CN2C(=O)C(C(=O)OC)=C(O)c3cc(cn23)-c4ccccc4	550
+FC(F)(F)c1ccc(cc1)CN2C(=O)C(CC2)N3CCC(C(F)(F)C3)c4ccc(cc4)O	2150
+FC(F)(F)c1ccc(cc1)CN2CCC3(CC3)CC2(C)C(NC(c4ccc(cc4)C(O)=O)C)=O	1
+FC(F)(F)c1ccc(cc1)CNC(=O)Nc2cccc3NCC(O)Cc23	406
+FC(F)(F)c1ccc(cc1)Cn2cc(-c3sc(C(NCc4ccccc4)=O)c(n3)C)nn2	3236
+FC(F)(F)c1ccc(cc1)CNC(=O)N2CC(c3cc(OC(C)(C)C(=O)O)ccc3)CCC2	210
+FC(F)(F)c1ccc(cc1)CN2CCC(Br)C2=O	1553
+FC(F)(F)c1ccc(cc1)CNCC	15
+FC(F)(F)c1ccc(cc1)CNC(c2cc(CC(N)=O)ccc2OC)=O	527
+FC(F)(F)c1ccc(cc1)CN(C(=O)COc2ccc(cc2)CCSc3c(cccc3)C(OC)=O)CC	10
+FC(F)(F)c1ccc(cc1)CNc2nc(c(N)c(C)n2)N	193
+FC(F)(F)c1ccc(cc1)COc2ccc(cc2C=CCCC(C(OCC)=O)Oc3ccccc3OC)OC	657
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(OCC(=O)N)nc2)C	83
+FC(F)(F)c1ccc(cc1)CON=C(CC)c2ccc(cc2)OCC(=O)O	3
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(C)c(OCC(=O)O)cc3	3
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(OCC(NO)=O)cc3)C	1376
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(OCC(NCC(O)=O)=O)cc3)C	3
+FC(F)(F)c1ccc(cc1)CON=C(c2cnc(OCC#N)cc2)C	143
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCc3nnc(C)o3)C	1037
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCC(=O)NNC(=O)C)C	1038
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCC(=O)O)C	3
+FC(F)(F)c1ccc(cc1)CON=C(C)c2cnc(cc2)OCC(=O)O	4
+FC(F)(F)c1ccc(cc1)COc2c(cc(cc2)OC)C=CCCC(C(=O)O)Oc3c(cccc3)OC	3
+FC(F)(F)c1ccc(cc1)COc2cc(CC(O)=O)ccc2	3
+FC(F)(F)c1ccc(cc1)Oc2cc(C)c(c(C)c2)C(C)=O	415
+FC(F)(F)c1ccc(cc1)Cn2cc(cn2)Nc3cc(F)c(cc3)S(=O)(=O)Nc4nccs4	9354
+FC(F)(F)c1ccc(cc1)Cn2cc(N)cn2	209
+FC(F)(F)c1ccc(cc1)Cn2cc(nn2)-c3sc(C(O)=O)c(C)n3	6
+FC(F)(F)c1ccc(cc1)Cn2cc(-c3sc(C(NCc4cnccc4)=O)c(n3)C)nn2	454
+FC(F)(F)c1ccc(cc1)Sc2nc3c(ncnc3N)[nH]2	4666
+FC(F)(F)c1ccc(cc1)-c2nc(C(=O)OC)c(o2)-c3ccc(cc3)C#N	4776
+FC(F)(F)c1ccc(N)c(c1)I	184
+FC(F)(F)c1ccc(cc1)NS(=O)(=O)c2cccc(C(=O)OCC)c2	69
+FC(F)(F)c1ccc(cc1)Nc2nc(cc(-n3c4c(ccc(F)c4)nc3C)n2)Cl	1359
+FC(F)(F)c1ccc(cc1)NC=O	753
+FC(F)(F)c1ccc(cc1)Nc2ncnc3c2nc(Nc4c(cccc4Cl)Cl)[nH]3	1185
+FC(F)(F)c1ccc(cc1)Nc2cc(C)cc(n2)Cl	1759
+FC(F)(F)c1ccc(cc1)Nc2nc(N)nc(c2)-c3cc(Br)ccc3C	73
+FC(F)(F)c1ccc(cc1)Nc2c3c(ncn2)n(-c4ccccc4Cl)cn3	1185
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(CN)c(C)c2)C	107
+FC(F)(F)c1ccc(cc1)N2C(=O)NC3(CCCCC3)C2	9355
+FC(F)(F)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)COCC(O)=O	4
+FC(F)(F)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3cc(ccc3)CBr	92
+FC(F)(F)c1ccc(cc1)NC(N2CCCC2c3c(Cc4ccc(cc4)Cl)c(C)no3)=O	326
+FC(F)(F)c1ccc(cc1)N2C(C3(CCCCC3)NC2=O)=O	9356
+FC(F)(F)c1ccc(cc1)NC(CO)C(C)C	21
+FC(F)(F)c1ccc(cc1)NC(COCCc2ccccc2)C(C)C	176
+FC(F)(F)c1ccc(cc1)NC2c3c(cc(NC(=O)CCC4CCCC4)c(c3)N)CC2	0
+FC(F)(F)c1ccc(cc1)Nc2c3ncn(C)c3nc(Cl)n2	1545
+FC(F)(F)c1ccc(cc1)NS(=O)(=O)c2cc(C(O)=O)ccc2	6
+FC(F)(F)c1ccc(cc1)Nc2nc(nc3c2ncn3C)NN	1657
+FC(F)(F)c1ccc(cc1)Nc2ncnc(n2)C=Cc3cc4cnn(c4cc3)C5OCCCC5	914
+FC(F)(F)c1ccc(cc1)Nc2nc(CCc3cc4c([nH]nc4)cc3)ncn2	804
+FC(F)(F)c1ccc(cc1)Nc2nc(cc(N)n2)-n3c4c(ccc(F)c4)nc3C	266
+FC(F)(F)c1ccc(cc1)Nc2nc(CCc3ccc4c(cnn4C5OCCCC5)c3)ncn2	9357
+FC(F)(F)c1ccc(cc1)OCc2n(nc(C)c2I)C	20
+FC(F)(F)c1ccc(cc1)OCCOc2ccc(cc2)C(c3nocc3)CC(=O)N4C(OCC4Cc5ccccc5)=O	8
+FC(F)(F)c1ccc(cc1)OCCOc2ccc(cc2)C(CC(O)=O)c3ccon3	2263
+FC(F)(F)c1ccc(cc1)Oc2cc(C)c(c(C)c2)-c3nc(sc3)N	354
+FC(F)(F)c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)n3cc(c4c3ccc(-c5ccccc5)c4)CCC(=O)OC	367
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2ccsc2C(OC)=O	3074
+FC(F)(F)c1ccc(cc1)S(=O)(=O)n2nc(nc2N)Nc3cc(Cl)c(c(c3)Cl)C#N	9358
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(C2CCC(CC2)OCCCC(=O)C)C	591
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(C2CCC(CC2)OCCCC(N(C)OC)=O)C	9359
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCNCC2	2
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3ncc(-c4ncccc4)cc3	147
+FC(F)(F)c1ccc(cc1)Sc2nc3c(ncnc3n2CCCC)N	4777
+FC(F)(F)c1ccc(cc1F)C(CNC)O	132
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c3c(C(=O)N(C=C3)C(COS(=O)(=O)C)C)ccc2C	7
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c3C=CN(C(C)CNC)C(=O)c3ccc2C	1569
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c(C)ccc3C(=O)N(C=Cc23)C(CO)C	59
+FC(F)(F)c1c(OC)cc(cc1)C=C2NC(=O)CN(C(=O)C)C2=O	9360
+FC(F)(F)c1ccc(cc1OC)C=C2N(C(CN(C(C)=O)C2=O)=O)C(=O)C	9361
+FC(F)(F)c1c(cc(-c2cn3cc(ccc3n2)Br)cc1)N	0
+FC(F)(F)c1c(cc(cc1)-c2cn3c(ccc(Cl)n3)n2)N	0
+FC(F)(F)c1c(cc(C(OCC)=O)cc1)N	0
+FC(F)(F)c1ccc(cn1)-c2cc(ncc2Cl)CN	45
+FC(F)(F)c1ncc(cc1)-c2cc(nc(n2)-n3cnc(c3)I)C	937
+FC(F)(F)c1ncc(-c2nc(nc(C)c2)-c3cc(ccc3)Br)cc1	345
+FC(F)(F)c1ccc(-c2c(cnc(CO)c2)Cl)cn1	398
+FC(F)(F)c1ncc(-n2c(c(Cl)nc2C)-c3c(F)cc(cc3F)OC)cc1	4778
+FC(F)(F)c1ccc(cn1)-n2c(c(Cl)nc2)-c3c(cc(cc3F)OC)F	844
+FC(F)(F)c1ccc(-c2n(C)c3c(n2)c(Cl)ncn3)cn1	9362
+FC(F)(F)c1ncc(cc1)CC(=O)NNc2ncc(c(-c3ccc(cc3)Cl)c2)Br	355
+FC(F)(F)c1ccc(cn1)Nc2ncc(-c3ccc(cc3)C4CCN(CC4)C(=O)C(=O)O)cc2	1581
+FC(F)(F)c1ccc(cn1)Nc2ncc(-c3ccc(cc3)C4CCNCC4)cc2	2
+FC(F)(F)c1ccc(cn1)Nc2ncc(-c3ccc(cc3)C4CCN(CC4)C(C(=O)OCC)=O)cc2	3957
+FC(F)(F)c1ccc(Oc2ccc(cc2)C=O)cn1	551
+FC(F)(F)c1ccc(cn1)Oc2ccc(cc2)CCOc3ncc(c(n3)O)Cc4cnc(nc4)OC	3063
+FC(F)(F)c1ccc(nc1)-c2ccc(cc2)C(CCCC)Oc3ccc(cc3)C(=O)NCCC(O)=O	4
+FC(F)(F)c1cnc(-n2cc(CCC(=O)OCC)c(CCC)n2)cc1	4779
+FC(F)(F)c1ccc(nc1)Oc2cc(cc(C=C3CCC(CC3)N)c2)C	316
+FC(F)(F)c1ccc(nc1)Oc2cc(C=C3CCC(CC3)=O)cc(c2)C	97
+FC(F)(F)c1ccc(nc1)Oc2cc(C=C3CCC4(OCCO4)CC3)cc(c2)C	846
+FC(F)(F)c1ccc(nc1)Oc2ccc(cc2)OC(C)C=NO	410
+FC(F)(F)c1ccc(nc1)Oc2ccc(cc2)OC(C)C=O	24
+FC(F)(F)c1ccc(nc1-c2ccc(cc2)OC)NCCCOc3ccc4C(CC(O)=O)CCc4c3	3
+FC(F)(F)c1oc(CN2C(=O)C3(c4nc(ccc4OC3)OC)c5ccccc25)cc1	562
+FC(F)(F)c1ccc(o1)CN2C(=O)C3(COc4ccc(nc34)OC)c5c2cccc5-c6ccoc6	1628
+FC(F)(F)c1ccc2CCC(N3CCN(CC3C)C4(CCN(CC4)C(OC(C)(C)C)=O)C)c2c1	2784
+FC(F)(F)c1ccc2CCC(N3C(CN(C4(CCNCC4)C)CC3)C)c2c1	2
+FC(F)(F)c1ccc2c(N(CCC2)Cc3cccc(Br)c3)c1	507
+FC(F)(F)c1ccc2c(C=CC(=O)N2CC(=O)O)c1	4
+FC(F)(F)c1cc2c(cc1)CCNC2C	1218
+FC(F)(F)c1ccc2c(C(N)CC(CC)N2C(=O)C3CCC(CC3)CC(=O)OCC)c1	102
+FC(F)(F)c1cc2C=CC(=O)N(CC(Nc3scc(c3-c4nnc[nH]4)Cl)=O)c2cc1	1477
+FC(F)(F)c1ccc2c(N(CCC2)Cc3cc(-c4ccc(cc4)CO)ccc3)c1	11
+FC(F)(F)c1ccc2nc(C#N)cc(c2c1)OCc3ccc(cc3)OC	331
+FC(F)(F)c1ccc2N(C(=O)N(c2c1)Cc3ccc(c(OC)c3)OC)C4CCC(CC4)O	1939
+FC(F)(F)c1ccc2c(c(cnc2c1)CO)O	351
+FC(F)(F)c1cc2c(cc1)nc(C#N)cc2O	686
+FC(F)(F)c1ccc2c(c(cc(C(=O)N)n2)OCc3ccc(cc3)OC)c1	314
+FC(F)(F)c1cc(-c2c(ncc(c2O)C(=O)NCc3ccc(S(=O)(=O)C)cn3)C)ccc1	56
+FC(F)(F)c1cc(-c2c(c(cnc2C)C(NCc3ccc(cc3)S(=O)(=O)C)=O)O)ccc1	56
+FC(F)(F)c1cccc(c1)-c2c(c(cn3nc(N)nc23)Br)C	9363
+FC(F)(F)c1cccc(c1)-c2cccc3c2OC(CN)C3	18
+FC(F)(F)c1cccc(c1)-c2cc(C)c(C(=O)O)c(OC)n2	1
+FC(F)(F)c1cccc(-c2csc(Cc3ccc(cc3)C(=O)O)n2)c1F	1
+FC(F)(F)c1cc(ccc1)-c2nc(C)c(COC)cc2	382
+FC(F)(F)c1cc(ccc1)-c2nnc3c(C(O)CC(C3)C)c2	652
+FC(F)(F)c1cccc(-c2sc3nccc(C(Nc4sccn4)=O)c3n2)c1	2916
+FC(F)(F)c1cccc(N2C(C)=C(NC2=O)c3n(ncc3)-c4ccc(cc4)C#N)c1	9364
+FC(F)(F)c1cccc(-n2cc(nc2)NC(c3cc(ccc3N)N4CCCCC4)=O)c1	0
+FC(F)(F)c1cccc(c1)-c2nc(c([N+](=O)[O-])c(N)c2)C#N	140
+FC(F)(F)c1cccc(c1)-c2cccc(C(C(=O)OCC)C)n2	140
+FC(F)(F)c1cc(ccc1)Oc2cc(Br)cc(Br)c2	472
+FC(F)(F)c1cccc(-c2c(ncc(c2C)Br)N)c1	796
+FC(F)(F)c1cccc(-c2c(C)ncc(C(=O)O)c2O)c1	89
+FC(F)(F)c1cc(-c2nc3c(cc2)N4CC(CC4)N3)ccc1	140
+FC(F)(F)c1cc(-c2cc(C(=O)C)ccc2OCC(OC)=O)ccc1	11
+FC(F)(F)c1cccc(-c2nc(ccc2OC)C)c1	119
+FC(F)(F)c1cc(-c2c(C)cc3cc(ccc3c2OCOC)OC)ccc1	11
+FC(F)(F)c1cc(-c2ccc(cc2)C3C(C3)NCC(N)=O)ccc1	11
+FC(F)(F)c1cc(ccc1)-c2c3c(CC(COS(=O)(=O)c4ccc(cc4)C)O3)ccc2	11
+FC(F)(F)c1cccc(c1)-c2cc(c3c(n2)c4c([nH]3)cc(OCc5ccccc5)cc4)C(OC)=O	9365
+FC(F)(F)c1cc(-c2nc(c(CN)c(-c3c(cc(Cl)cc3)Cl)n2)N)ccc1	4780
+FC(F)(F)c1cccc(c1)-c2ccnc3n2ncc3	2214
+FC(F)(F)c1cc(ccc1)-c2ncc(C)o2	2996
+FC(F)(F)c1cccc(c1)C(Nc2cc(ccc2)C(=O)NN)=O	296
+FC(F)(F)c1cccc(C(=O)Nc2ccc(c(-c3cnc(c(c3)N4CCOCC4)OCCO)c2)C)c1	168
+FC(F)(F)c1c(N=[N+]=[N-])c(ccc1)C(=O)O	615
+FC(F)(F)c1c(N)c(ccc1)C(=O)Nc2ccccc2Cl	67
+FC(F)(F)c1cc(ccc1)C(=O)CC#N	3075
+FC(F)(F)c1cccc(c1F)-c2nc(sc2)N	2579
+FC(F)(F)c1cccc(C(=O)Nc2cnc(C)c(-c3cccc(c3)N)c2)c1	0
+FC(F)(F)c1cccc(c1)C(Nc2cc([N+]([O-])=O)c(Oc3ccc(cc3)O)cc2)=O	46
+FC(F)(F)c1cccc(C(Nc2ccc(OCC(C)(C)N)c(-c3c(cnn3C)Cl)c2)=O)c1	157
+FC(F)(F)c1cccc(C(Nc2ccc(c(CO)c2)Cl)=O)c1	49
+FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(Cl)c(C=O)c2	39
+FC(F)(F)c1cc(C(C(c2cc(F)ncc2)N(C(=O)C)C3CCCC3)O)ccc1	58
+FC(F)(F)c1cccc2c(n[nH]c12)-c3ccc(cc3)OC	1216
+FC(F)(F)c1cccc(C2N(c3ccc(cc3)Oc4ccc(cc4)Cl)C(C(CCCO)C2)=O)c1	347
+FC(F)(F)c1cc(C2CC(C(N2c3ccc(cc3)Oc4ccc(cc4)Cl)=O)CCCOS(=O)(=O)C)ccc1	7
+FC(F)(F)c1cccc(C2=CC(c3cccc(c3O2)C(Nc4cnccc4)=O)=O)c1	487
+FC(F)(F)c1cc(C=CC(c2c(c(ccc2)C(O)=O)O)=O)ccc1	307
+FC(F)(F)c1cccc(-c2c(O)nc3ccc(cc3c2O)Br)c1	4781
+FC(F)(F)c1cc(ccc1)CC(CN2C(=O)c3ccccc3C2=O)NC(c4sc(C)c(c4)-c5ccnn5C)=O	227
+FC(F)(F)c1cc(ccc1)CC(CN2C(=O)c3ccccc3C2=O)NC(=O)c4sc(c(c4)-c5ccnn5C)Cl	227
+FC(F)(F)c1cccc(CNCC(COc2ccc3C(=O)C(c4ccc(cc4)OC)=COc3c2)O)c1	122
+FC(F)(F)c1cccc(CNC(=O)c2cc(ncc2)-c3c(N)ccc(c3)OC(C)C)c1	0
+FC(F)(F)c1cccc(CNC(c2cc(-c3c(ccc(c3)N(CCC)CCC)N)ncc2)=O)c1	0
+FC(F)(F)c1cc(ccc1)CNCC(COc2ccc3C(=O)C(=COc3c2)c4ccc(cc4)O)O	5
+FC(F)(F)c1cccc(Cc2c(nn3c(N)cc(nc23)Cl)C)c1C	1994
+FC(F)(F)c1cccc(Cc2ccc(cc2)C(=O)O)c1	1
+FC(F)(F)c1cc(Cn2c(c(c3c2ccc(-c4ccc(cc4)OC)c3)-c5cccc(C(C)=O)c5)C(=O)O)ccc1	6
+FC(F)(F)c1cccc(F)c1CN2C(N(CC(N)c3ccccc3)C(=O)C(=C2C)Br)=O	12
+FC(F)(F)c1c(c(F)ccc1)CN2C(=O)N(CC(c3ccccc3)N)C(=O)C(c4c(cccc4)Cl)=C2C	1100
+FC(F)(F)c1cc(N(C(c2sc3nc(ccc3c2N)-c4sccc4)=O)C)ccc1	3455
+FC(F)(F)c1cccc(N2C(c3c(non3)NCCOS(=O)(=O)C)=NOC2=O)c1	7
+FC(F)(F)c1cccc(N2C(C)=CN=C(C(=O)NC)C2=O)c1	9366
+FC(F)(F)c1cccc(N2C(=O)N(C)C(c3ccc(C#N)cc3C(O)=O)C=4C(NCCC2=4)=O)c1	1
+FC(F)(F)c1cccc(N2C(=O)ON=C2c3nonc3NCCO)c1	88
+FC(F)(F)c1cccc(N2C(=NOC2=O)c3nonc3NCCN=[N+]=[N-])c1	133
+FC(F)(F)c1cccc(c1)N2N=C(C(C(=C2)OC)=O)C(C=CN(C)C)=O	3076
+FC(F)(F)c1cccc(N2N=C(C(=O)O)C(C(OC)=C2)=O)c1	4
+FC(F)(F)c1cccc(c1)N2C=C(OC)C(C(=N2)C(N(C)OC)=O)=O	2264
+FC(F)(F)c1cccc(N2N=C(N)C(C(=C2)OC)=O)c1	9367
+FC(F)(F)c1cccc(NC(N2CCCCc3cc(O)ccc23)=O)c1	5
+FC(F)(F)c1cccc(NC(=O)N2CCCCc3cc(Oc4cc(ncn4)N=[N+]=[N-])ccc23)c1	3533
+FC(F)(F)c1cccc(NC(=O)N2CCCCc3cc(ccc23)Oc4ncnc(N)c4)c1	1341
+FC(F)(F)c1cccc(N2C(=O)NC(C=3C(=O)CCCC2=3)c4ccc(cc4)C#N)c1	9368
+FC(F)(F)c1cccc(NC(=O)c2cc(-c3ccc(cc3)Nc4ncncc4I)c(C)cc2)c1	73
+FC(F)(F)c1cccc(NC(=O)c2ccc(C)c(-c3ccc(cc3)N)c2)c1	0
+FC(F)(F)c1cccc(NC(=O)N2CCCCc3cc(Oc4cc(Cl)ncn4)ccc23)c1	185
+FC(F)(F)c1cccc(NC(=O)c2ccc(C)c(-c3ccc(cc3)[N+](=O)[O-])c2)c1	1762
+FC(F)(F)c1cccc(c1)N2C(NC(c3c(cc(cc3)C#N)SC)C4=C2CCC4=O)=O	3065
+FC(F)(F)c1cccc(N2C=C(C(=O)C(C(=O)OC)=N2)OC)c1	1181
+FC(F)(F)c1cccc(Nc2cc(nnc2C(=O)N)Cl)n1	314
+FC(F)(F)c1cccc(Nc2cc(NCCN)nnc2C(=O)N)n1	232
+FC(F)(F)c1cccc(OCC(CNc2c([N+]([O-])=O)cc(c(C)c2)[N+]([O-])=O)=NOC)c1	60
+FC(F)(F)c1cc(OCC(Cn2nnc3c2cc(C)c([N+]([O-])=O)c3)=NOC)ccc1	2183
+FC(F)(F)c1cccc(c1)OCC(F)CCC2C(CC3OC(CC23)=O)O	682
+FC(F)(F)c1cccc(OCC(=NOC)CN)c1	18
+FC(F)(F)c1cccc(OCC(=NOC)CNc2c(cc(c(C)c2)[N+]([O-])=O)N)c1	0
+FC(F)(F)c1cccc(Oc2ncnc3c2cccc3N)c1	13
+FC(F)(F)c1cccc(Oc2cc(-c3c(N)ccc(N4CCCCC4)c3)ncn2)c1	0
+FC(F)(F)c1cc(ccc1)S(=O)(=O)Oc2cc(cc(c2)C)OCc3ccccc3	681
+FC(F)(F)c1cccc(S(=O)(=O)N2CCC(CC2)ON)c1	670
+FC(F)(F)c1cccc(-c2c3nc(NC(C)=O)nn3cc(Br)c2C)c1	784
+FC(F)(F)c1cccc(c1)-c2ccc(C(NC(C(NCCNc3ccc(cc3)OC(F)F)=O)CC4CCCCC4)=O)o2	9369
+FC(F)(F)c1cccc(c1)-c2c3OC(Cc3ccc2)CNC(OCc4ccccc4)=O	101
+FC(F)(F)c1cc(-c2cnnc(NN)n2)ccc1	9370
+FC(F)(F)c1cccc(-c2nc(c(N)c(c2)N)C#N)c1	13
+FC(F)(F)c1cccc(c1)-c2sc3c(n2)c(ccn3)CO	59
+FC(F)(F)c1cccc(c1)-c2nc3c(ccnc3s2)C=O	200
+FC(F)(F)c1cccc(C(=O)C=CN(C)C)c1	277
+FC(F)(F)c1cccc(C(Nc2cc(c(C)nc2)-c3cccc(c3)[N+]([O-])=O)=O)c1	796
+FC(F)(F)c1cc(C2(SCCCS2)C(O)c3cc(c(cc3)OC(F)F)C)ccc1	3077
+FC(F)(F)c1cccc(CC(=O)Nc2ccc(Br)cc2C(=O)OC)c1	26
+FC(F)(F)c1cc(ccc1)CC(C(OCC)=O)C(c2ccc(cc2)F)=O	9371
+FC(F)(F)c1cccc(c1)CNc2cc(ncn2)-c3c(ccc(c3)N4CCCCC4)N	0
+FC(F)(F)c1cc(ccc1)N2C(C)=C(C=C(C2=O)C(NCc3ccc(cc3)S(=O)(=O)C)=O)I	9372
+FC(F)(F)c1cccc(c1)N2C=3CCC(C)(C)C(C=3C(c4ccc(cc4)C#N)NC2=O)=O	160
+FC(F)(F)c1cccc(c1)N2C=3CCC(=O)C=3C(c4ccc(cc4S(=O)(=O)C)C#N)NC2=O	160
+FC(F)(F)c1cccc(N2C=C(C(=O)C(=N2)C(=O)C)OC)c1	1183
+FC(F)(F)c1cc(N2C=C(OC)C(=O)C(=N2)c3n(ncc3)-c4ccccc4)ccc1	4525
+FC(F)(F)c1cccc(c1)Nc2nc(ccn2)C3=CC(=C=[N-])[N+](C=C3)=O	9373
+FC(F)(F)c1cccc(c1)Nc2nccc(-c3ccnc(C#N)c3)n2	4685
+FC(F)(F)c1cccc(c1)OCC(CCC2C(OC3OCCCC3)CC4OC(CC24)O)F	2697
+FC(F)(F)c1cccc(OCC(CCC2C(OC(c3ccccc3)=O)CC4C2CC(O4)=O)F)c1	2124
+FC(F)(F)c1cccc(c1)OCC(CCC2C(CC3OC(CC23)=O)OC4OCCCC4)F	1646
+FC(F)(F)c1cccc(c1)Oc2cc(ccc2CO)Cl	98
+FC(F)(F)c1cccc(Oc2ccc(CO)cc2C#N)c1	41
+FC(F)(F)c1cccc(c1C(n2c3cccc(F)c3c(N4CC(C(CC4)C(O)=O)O)n2)=O)Cl	3
+FC(F)(F)c1cccc(Cc2c(N3C(=O)c4c(C3=O)cccc4)nn5C(=O)CC(=O)Nc25)c1C	1765
+FC(F)(F)c1c(-c2[nH]c3cc(C(=O)OC)ccc3n2)c(Cl)ccc1	622
+FC(F)(F)c1c(c(Cl)ccc1)COS(=O)(=O)C	7
+FC(F)(F)c1c(COS(=O)(=O)c2ccc(cc2)C)c(ccc1)Cl	36
+FC(F)(F)c1c(c(-c2nc(sc2)NC(=O)c3ccc(cc3)Nc4ccccn4)ccc1)F	548
+FC(F)(F)c1c(c(-c2nc(sc2)NC(=O)c3ccc(cc3)Nc4cnccn4)ccc1)F	548
+FC(F)(F)c1cccc(C(CCl)=O)c1F	9374
+FC(F)(F)c1cccc(-c2csc(n2)Cc3ccc(cc3)C(OC)=O)c1F	963
+FC(F)(F)c1cccc2C(N(Cc12)C(C(Nc3ncc(nc3)Br)=O)CC4CCCC4)=O	1018
+CC(C)(C)OC(NC(CC)C(=O)Nc1c(C(=O)CC(=O)Nc2sccn2)cccc1C(F)(F)F)=O	9375
+FC(F)(F)c1cccc2C(N(Cc12)C(C(Nc3ncc(C(CO)O)nc3)=O)CC4CCCC4)=O	265
+FC(F)(F)c1c2CCNc2ccc1	931
+FC(F)(F)c1cccc2c(-c3cc(Oc4cc(S(=O)(=O)CCCNS(=O)(=O)C)ccc4)ccc3F)ncnc12	111
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(c4)S(=O)(=O)CCCOS(=O)(=O)C)ccc3F)ncnc12	7
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(S(=O)(=O)CCCC#N)c4)ccc3Cl)nc(C)nc12	300
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(c4)S(=O)(=O)CCCC(N)=O)ccc3Cl)nc(C)nc12	527
+FC(F)(F)c1cccc2c(-c3cc(Oc4cc(ccc4)S(=O)(=O)CCCOS(=O)(=O)C)ccc3Cl)nc(C)nc12	7
+FC(F)(F)c1cccc2c(-c3cc(Oc4cc(S(=O)(=O)CCCN)ccc4)ccc3F)ncnc12	4782
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(S(=O)(=O)CCCC#N)c4)ccc3F)ncnc12	300
+FC(F)(F)c1cccc2c1sc(C(O)=O)c2C3CCN(CC3)C(=O)C	1
+FC(F)(F)c1c2nn(c(-c3ccc(cc3)OC)c2ccc1)Cc4ccccc4	4783
+FC(F)(F)c1cccc2c(-c3cc(Oc4cc(ccc4)S(=O)(=O)CCCO)ccc3F)ncnc12	304
+FC(F)(F)c1cccc2C(N(C(CC(C)C)C(Nc3nccnc3)=O)Cc12)=O	1018
+FC(F)(F)c1cccc2c1CN(C(C(=O)Nc3ncc(C(CO)O)nc3)CCSC)C2=O	265
+FC(F)(F)c1cccc2c1CN(C(CC(C)C)C(=O)O)C2=O	4
+FC(F)(F)c1cccc2C(=O)N(C(C(=O)O)CC3CCCC3)Cc12	4
+FC(F)(F)c1cccc2c1CN(C(CCSC)C(O)=O)C2=O	4
+FC(F)(F)c1cccc2c(c(c(nc12)C(CC)N)C(Nc3nccs3)=O)O	12
+FC(F)(F)c1cccc2c1nccc2OCCCCCOC3=COC(COS(=O)(=O)C)=CC3=O	2178
+FC(F)(F)c1c2c(c(C3CCN(CC3)C(=O)C)cs2)ccc1	1539
+FC(F)(F)c1c(-c2c(C)c(C(O)=O)[nH]c2C)cccc1	6
+FC(F)(F)c1ccccc1-c2nc3c(cccc3C)cc2CNc4ncnc5nc[nH]c45	516
+FC(F)(F)c1c(cccc1)-c2cc(c(N)c(Cl)c2)[N+]([O-])=O	196
+FC(F)(F)c1c(-c2c(C=O)cc3c(c(C)ccc3)n2)cccc1	691
+FC(F)(F)c1ccccc1-c2ccc(c([N+]([O-])=O)c2)N	11
+FC(F)(F)c1ccccc1-c2c(O)cc(cc2)C(OC)=O	11
+FC(F)(F)c1ccccc1-c2ccc(cc2)CN3CC(OCC3)C(C)C	11
+FC(F)(F)c1c(cccc1)C(N2CCNCC2)=O	2
+FC(F)(F)c1c(C(=O)N2CCN(CC2)C(=O)CNC(c3cnc(-c4ccccc4)cc3)=O)cccc1	4784
+FC(F)(F)c1ccccc1C(Nc2cc(c3c([nH]cn3)c2)C(=O)Nc4c(c(Cl)ccc4)C)=O	246
+FC(F)(F)c1ccccc1C(Nc2cc3c(c(c2)C(O)=O)[nH]cn3)=O	1
+FC(F)(F)c1c(C(N2CCN(CC2)Cc3ccccc3)=O)cccc1	30
+FC(F)(F)c1ccccc1C2=CCN(CC2)Cc3ccccc3	252
+FC(F)(F)c1c(C2CCN(CC2)Cc3ccccc3)cccc1	191
+FC(F)(F)c1ccccc1C2CCN(CC2)C(=O)c3c4CN(C(=O)C)Cc4[nH]n3	58
+FC(F)(F)c1ccccc1C2CCN(CC2)C(=O)c3c4c([nH]n3)CNC4	2
+FC(F)(F)c1ccccc1CCC(C)=O	1847
+FC(F)(F)c1c(CC(N)CN2C(c3c(cccc3)C2=O)=O)cccc1	9376
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(=O)c4cc(n(C)c4Cl)-c5c(cnn5C)Cl	697
+FC(F)(F)c1ccccc1CC(NC(=O)c2cc(cs2)-c3n(nc(Cl)c3CC)C)CN	45
+FC(F)(F)c1c(CCC(C)(C#N)N)cccc1	661
+FC(F)(F)c1c(cccc1)CCC2CN(Cc3ccccc3)CCN2	25
+FC(F)(F)c1c(CCC2CN(CCN2)C=3c4cc(C)sc4Nc5ccccc5N=3)cccc1	3073
+FC(F)(F)c1ccccc1CCN2CCC(CC2)(CN)c3ccccc3	51
+FC(F)(F)c1ccccc1CNC(C2CCC(CC2)Nc3nc(nc(n3)NC)-c4ccccc4)=O	9
+FC(F)(F)c1ccccc1COC2CN(C2)c3sc(C(=O)O)cn3	6
+FC(F)(F)c1ccccc1COC2CN(C2)c3sc(cn3)C(=O)N	1169
+FC(F)(F)c1ccccc1C#Cc2ccc(cc2)N3C(=O)NC(=N3)c4c(cccc4F)Cl	9377
+FC(F)(F)c1c(cccc1)Sc2ccc(cc2)Br	826
+FC(F)(F)c1ccccc1CCC2N(Cc3ccccc3)CCN(Cc4ccccc4)C2	9378
+FC(F)(F)c1ccccc1OC2CCN(c3ccc(nn3)C(=O)NN)C2	1726
+FC(F)(F)c1ccccc1OC2CN(c3ccc(nn3)C(OC)=O)CC2	212
+FC(F)(F)c1ccccc1S(=O)(=O)N	336
+FC(F)(F)c1c(S(=O)(=O)Nc2c(nccn2)Cl)cccc1	9379
+FC(F)(F)c1c2n(ccc1)c(-c3cccc(O)c3)c(C)n2	9380
+FC(F)(F)c1c(-c2cc3c(cc2)c(nc(C)n3)O)nccc1	1677
+FC(F)(F)c1cccnc1-c2cc([N+]([O-])=O)c(C#N)cc2	180
+FC(F)(F)c1cccnc1-c2ccc(C#N)c(c2)N	0
+FC(F)(F)c1cccnc1-c2ccc(c(N)c2)C(N)=O	2265
+FC(F)(F)c1cccnc1-c2cc(NC(C)=O)c(cc2)C(=O)N	26
+FC(F)(F)c1c(N2CCc3c(O)ncnc3CC2)nccc1	361
+FC(F)(F)c1cccnc1N2CCN(CC2)c3cc(nc(COC)n3)Nc4ccc(F)c(c4)F	73
+FC(F)(F)c1cccnc1N2CCN(CC2)c3cc(-c4cc(Cl)c(F)cc4)nc(n3)Cl	54
+FC(F)(F)c1cccnc1N2CCN(CC2)c3cc(Cl)nc(COC)n3	54
+FC(F)(F)c1ccn(n1)-c2nc3c(c(c2)O)ccc(c3Cl)OC	686
+FC(F)(F)c1nn(-c2nc(Cl)c(cc2)C)cc1	174
+FC(F)(F)c1nn(cc1)-c2ccc(C)c[n+]2[O-]	341
+FC(F)(F)c1ccn2cc(CC3CCCCN3C(c4nc(C)sc4-c5ccc(cc5)F)=O)nc2c1	837
+FC(F)(F)c1ccnc(CO)c1	59
+FC(F)(F)c1ccnc(NC(=O)c2cc(N)c(N)cn2)c1	13
+FC(F)(F)c1ccnc(NC(Nc2ccc(cc2)-c3c4n(ncnc4N)cc3C=C)=O)c1	9381
+FC(F)(F)c1ccnc(NC(Nc2ccc(cc2)-c3c(CC)cn4c3c(ncn4)N)=O)c1	1661
+FC(F)(F)c1ccnc(Nc2cc(cc(C)c2)-c3sc(nc3)C4(CCC5(OCCO5)CC4)C(N)=O)n1	527
+FC(F)(F)c1ccnc(Nc2cc(-c3cnc(cc3)CCC(=O)OCC)cc(C)c2)n1	1253
+FC(F)(F)c1ccnc(Nc2cc(cc(C)c2)-c3sc(nc3)C4(CCC(CC4)=O)C(N)=O)n1	97
+FC(F)(F)c1nc(Oc2ccccc2)ncc1	893
+FC(F)(F)c1ccnc(n1)Nc2cc(cc(-c3scnc3)c2)C4CC4	365
+FC(F)(F)c1ccncc1C(OS(=O)(=O)C)C(C)C	7
+FC(F)(F)c1ccnnc1N	1969
+FC(F)(F)c1ccnn2cc(Cc3ccccc3)nc12	1823
+FC(F)(F)c1cn(CC2CCNCC2)c3c1c(ncn3)Cl	2
+FC(F)(F)c1cn(CC2CCN(CC2)S(=O)(=O)C)c3c1c(ncn3)Cl	112
+FC(F)(F)c1cn(nn1)-c2ccc(C)cc2-c3cc(O)ncn3	104
+FC(F)(F)c1nc2CN(C(c3c(ccc(Cc4c5c(c(O)nn4)cccc5)c3)F)=O)CCn2c1	30
+FC(F)(F)c1cn2c(c(-c3ccc(cc3)S(=O)(=O)C)c(-c4cc(F)ccc4)n2)cc1	4785
+FC(F)(F)c1ccc2c(C(C=CN(C)C)=O)c(nn2c1)-c3ccc(cc3)F	277
+FC(F)(F)c1cn2c(c(C(O)=O)c(n2)-c3cc(F)ccc3)cc1	1
+FC(F)(F)c1cnc(-c2c(c(O)c(cc2F)Cl)N)c(Cl)c1	0
+FC(F)(F)c1ccc(nc1)-c2ccc(cc2)C(CCCC)Oc3ccc(cc3)C(NCCC(=O)OC)=O	20
+FC(F)(F)c1cc(Cl)c(nc1)-c2cc([N+](=O)[O-])c(cc2)F	31
+FC(F)(F)c1cnc(-n2nc(CCC)c(c2)CCCO)cc1	44
+FC(F)(F)c1cnc(cc1)-n2nc(C(C)C)c(CCCO)c2	44
+FC(F)(F)c1cnc(-n2cc(CCCOc3c(cccc3CC(O)=O)C#N)c(CCC)n2)cc1	4
+FC(F)(F)c1ccc(nc1)-n2nc(CCC)c(C=O)c2	576
+FC(F)(F)c1cnc(-n2cc(CO)c(CCC)n2)cc1	536
+FC(F)(F)c1cnc(-n2cc(CCCOc3c(cccc3C#N)CC(OC)=O)c(CCC)n2)cc1	20
+FC(F)(F)c1cnc(-n2nc(c(c2)CCCOc3n(ncc3CC)CC(O)=O)C(C)C)cc1	3
+FC(F)(F)c1c(nc(nc1)Nc2cnc(OC)cc2)CCc3ccccc3C4(CC4)C(N)=O	801
+FC(F)(F)c1cnc(cc1)Nc2nccc(c2)C(=O)Nc3cc(cnc3)Br	487
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(C=C(C)C(O)=O)ccc(c2)OC(C)C	108
+FC(F)(F)c1cnc(Oc2cc(OCC(N(CC)CC)=O)ccc2CCC(=O)O)c(Cl)c1	3
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(ccc(OCCOC)c2)CCCO	44
+FC(F)(F)c1cnc(c(Cl)c1)Oc2cc(OCCOC)ccc2CCC(=O)O	3
+FC(F)(F)c1cc2c(nc1)sc(-c3c(cncc3)F)n2	9382
+FC(F)(F)c1cc(c(nc1)-c2cc(c(Cl)cc2)O)Cl	5
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(ccc(OC(C)C)c2)C=C(C)C(NS(=O)(=O)NC3CCC(CC3)C)=O	9383
+FC(F)(F)c1cnc(Oc2c(ccc(c2)O)CCC(=O)OCC)c(Cl)c1	241
+FC(F)(F)c1cnc(Oc2c(ccc(OCCOC)c2)CCCOC(=O)NS(=O)(=O)NCCc3ccccn3)c(Cl)c1	2438
+FC(F)(F)c1cnc(Oc2c(ccc(OCCOC)c2)CCCOC(=O)NS(=O)(=O)c3ccc(cc3)Cl)c(Cl)c1	9384
+FC(F)(F)c1cc(c(nc1)Oc2c(CCC(=O)NS(=O)(=O)CCCOC)ccc(OCCOC)c2)Cl	344
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)N	0
+FC(F)(F)c1cc(N)c(C#N)nc1	577
+FC(F)(F)c1cc(c(C(=O)N)nc1)N	13
+FC(F)(F)c1cnc(Cl)c(C#N)c1	1014
+FC(F)(F)c1cc(F)c(N2CCNCC2)nc1	2
+FC(F)(F)c1cc(c(O)nc1)N	13
+FC(F)(F)c1cnc(cc1)-n2cc(c(C(C)C)n2)C=O	576
+FC(F)(F)c1cnc(cc1)-n2cc(c(C(C)C)n2)CO	536
+FC(F)(F)c1cnc(-n2cc(CCC(OCC)=O)c(n2)C(C)C)cc1	4779
+FC(F)(F)c1ccc(Cn2nc(I)c3c2cccc3[N+](=O)[O-])nc1	4631
+FC(F)(F)c1ccc(C#N)nc1	577
+FC(F)(F)c1cnc(cc1)NC	70
+FC(F)(F)c1c[n+]([O-])c(Cl)cc1	341
+FC(F)(F)c1ccc(Oc2cc(cc(C)c2)CO)nc1	136
+FC(F)(F)c1ccc(nc1)NCC2C(CCCN2C(c3c(-n4nccn4)ccc(F)c3C)=O)C	9385
+FC(F)(F)c1ccc(N)[n+]([O-])c1	341
+FC(F)(F)c1cnc(cc1)OCCCON2C(c3c(C2=O)cccc3)=O	1395
+FC(F)(F)c1ccc(OCCCOc2c(I)cc(OC(=O)c3ccccc3)cc2Cl)nc1	126
+FC(F)(F)c1cnc(cc1)OCCCON	670
+FC(F)(F)c1cnc(nc1)NCC2C(CCCN2C(c3cc(F)ccc3-n4nccn4)=O)C	96
+FC(F)(F)c1cnc(nc1)NCC2N(CCCC2C)C(c3c(-n4nccn4)c(ccc3)F)=O	96
+FC(F)(F)c1cnc(nc1CCc2ccc(F)cc2CC(=O)N)Nc3ccc(cc3)C4CCN(CC4)C(=O)OC(C)(C)C	801
+FC(F)(F)c1cnc(nc1CCc2ccc(F)cc2CC(=O)N)Nc3ccc(cc3)C4CCNCC4	2
+FC(F)(F)c1cnc(SC)nc1C#Cc2ccccc2CC(OC)=O	4786
+FC(F)(F)C(N=S(C1CC1)(c2ccc(cc2)Nc3ncc(C(F)(F)F)c(OC(C(C)O)C)n3)=O)=O	118
+FC(F)(F)c1c(Cl)c2c([nH]cc2N)nc1	13
+FC(F)(F)c1csc(-c2c(-c3cc(cnc3)C(NN)=O)cnc(NC(=O)NCC)c2)n1	1872
+FC(F)(F)c1csc(-c2c(-c3cc4c(N(CCN(C)C)C=C(C(O)=O)C4=O)nc3)cnc(c2)NC(=O)NCC)n1	108
+FC(F)(F)c1csc(-c2cc(NC(=O)NCC)ncc2-c3ccc4c(c3)N(CC)C=C(C4=O)C(=O)O)n1	108
+FC(F)(F)c1csc2c1c(ncn2)O	1868
+FC(F)(F)c1c(C(=O)O)c2ccc(OC)cc2n1C	6
+FC(F)(F)c1n(nc(-c2c(cc(c(c2)N(C)CCC)N)F)c1Cl)C	0
+FC(F)(F)c1c(c(-c2cc(F)c([N+]([O-])=O)cc2F)nn1C)Cl	1188
+FC(F)(F)c1n(C)nc(c1)-c2c(cc(c(F)c2)[N+](=O)[O-])F	31
+FC(F)(F)c1n(nc(c1Cl)-c2c(cc(O)c(c2)[N+](=O)[O-])F)C	5
+FC(F)(F)c1n(nc(c1Cl)-c2c(cc3OCC(=O)Nc3c2)F)C	1290
+FC(F)(F)c1n(nc(-c2cc(OC)c(cc2F)N)c1Cl)C	0
+FC(F)(F)c1c(cnn1-c2nc(-c3ccccc3OCc4ccc(cc4)OCCOC)ccc2)C(=O)O	6
+FC(F)(F)c1n2CCC(Cc2nn1)c3n4ccnc(c4c(Br)n3)N	522
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1)c(C(N4CCN(CC4)C(c5ccccc5)CC)=O)cn2	2778
+FC(F)(F)c1n2c(c(C(N3CCNCC3C)=O)cn2)nc(-c4ccc(cc4)OC)c1C	2
+FC(F)(F)C1=CC(=S)Nc2c(C(=O)OC)cnn12	9386
+FC(F)(F)c1nnc2CC(CCn12)c3n4ccnc(Cl)c4cn3	856
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)O)CC2	9387
+FC(F)(F)c1nnc2n1nc(N3CCNCC3)cc2	2
+FC(F)(F)c1cc(nc2n1ncc2-c3nc(no3)-c4ccnc(c4)N)-c5cc(c(C(F)(F)F)cc5)C	9388
+FC(F)(F)c1nn(CC(Nc2c(c3c(CCCC3)s2)C(=O)N)=O)cc1C=O	1460
+FC(F)(F)c1nn(cc1C=O)Cc2nc3sc(C)cc3c(O)n2	3568
+FC(F)(F)c1nn(CC(=O)Nc2sc3CCCCc3c2C(NCCO)=O)cc1C=O	1460
+FC(F)(F)c1nn(CC(=O)Nc2c(c3c(CCCC3)s2)C(=O)N)cc1CCO	1460
+FC(F)(F)c1nc(-c2cccc(-c3cc(c(c(c3)[N+]([O-])=O)O)O)c2)ccc1	5
+FC(F)(F)c1nc(no1)-c2cc(C(NCC3(CCOCC3)c4cc(-c5ccccc5)cs4)=O)ccc2	14
+FC(F)(F)c1nc(no1)-c2cccc(C(=O)N(C)CC3(CCOCC3)c4scc(-c5ccccc5)n4)c2	30
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(C)c3ccc(CN)c(Cl)c3	12
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(C)c3ccc(c(Cl)c3)CNS(=O)(=O)C	111
+FC(F)(F)c1nc(-c2ccc(c(Cl)c2)C)n(-c3ccc(cc3)S(=O)(=O)N)c1	9389
+FC(F)(F)c1nc(-c2ccc(cc2)CC(O)=O)no1	4
+FC(F)(F)c1nc(cs1)C(CNC(C)Cc2ccc(cc2)OCC(=O)OC)O	9390
+FC(F)(F)c1n2CCN(C(c3cc(Cc4c5c(c(O)nn4)cccc5)ccc3F)=O)Cc2c(C(=O)N6CCCC6)n1	30
+FC(F)(F)c1nc(ccc1)C2(CCNCC2)O	2
+FC(F)(F)c1ccc(c(Cl)n1)C=CC(NCc2cc(F)c(cc2)NS(=O)(=O)C)=O	711
+FC(F)(F)c1ccc(c(Cl)n1)C=CC(=O)NCc2cc(c(NS(=O)(=O)C)c(c2)C#C)F	711
+FC(F)(F)c1nc2c(cccc2)c(NN)n1	1021
+FC(F)(F)c1nc(Nc2ncnc(-c3ccc(cc3OC)F)c2)cc(c1)CSC	346
+FC(F)(F)c1c(sc(n1)Cl)C(=O)O	6
+FC(F)(F)c1ccc(c(F)n1)-c2nccc(CNC(=O)C3CC(F)CN3S(=O)(=O)c4ccc(cc4)F)c2	4787
+FC(F)(F)c1c(Br)nc(c(N)n1)-c2oc(nn2)Cc3ccccc3	9391
+FC(F)(F)c1ccc(C=O)c(N)n1	200
+FC(F)(F)c1nc(N2CC3C(C(CC3)OS(=O)(=O)c4ccc(cc4)Br)C2)ccc1	1226
+FC(F)(F)c1cccc(N2CCN(CC2)CCCCN3C(=O)CCC3)n1	28
+FC(F)(F)c1nc(NC(Nc2c3c(ncc2)ccc(C=4CCNCC=4)c3)=O)ccc1	366
+FC(F)(F)c1nc(O)c(CN2N=C3N(C=CC(c4ccc(cc4)Cl)=C3c5ccncc5)C2=O)cc1	104
+FC(F)(F)c1c(N)ccc(OCc2c(nnn2-c3c(cccc3Cl)Cl)C(C)C)n1	13
+FC(F)(F)c1nc(Oc2ccc(cc2)S(=O)(=O)Cl)ncc1	243
+FC(F)(F)c1nc(c(CCNC(=O)c2ccc(cc2)Oc3cc4c(cc3Cl)C(C(=O)O)CCO4)cc1)C5CC5	3
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(c3ccc(c(c3)F)CNS(=O)(=O)C)C	9
+FC(F)(F)c1nc(c(CNC(=O)C(C)c2cc(c(CNS(=O)(=O)C)cc2)C)cc1)N3CCCC3	111
+FC(F)(F)c1nc(c(CNC(=O)C(c2cnc(cc2)C(=O)N)C)cc1)N3CCC(CC3)C	862
+FC(F)(F)c1nc(c(CN)cc1)-c2cccc(C)c2	388
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2cc(C(OC)=O)c(cc2)Cl	246
+FC(F)(F)c1nc(c(cc1)CNC(Nc2cc3CCCc3nc2)=O)N4CCC(CC4)C	238
+FC(F)(F)c1nc(Cl)cc(CSC)c1	639
+FC(F)(F)c1nc(-c2cc(-c3cc(c(O)c([N+](=O)[O-])c3)OC)ccc2)ccc1	31
+FC(F)(F)c1nc(ccc1)-c2cccc(-c3ccc(O)c(OC)c3)c2	16
+FC(F)(F)c1nc(N2CC3CCC(O)C3C2)ccc1	323
+FC(F)(F)c1nc(C2(CCN(CC2)C(Nc3nc4c(ncnc4OC)s3)=O)O)ccc1	437
+FC(F)(F)c1cc(nc(-c2ccncc2)n1)Nc3c(C)ccc([N+](=O)[O-])c3	73
+FC(F)(F)c1nc(Nc2cc(cc(c2)-c3sc(nc3)C4(CCC4)O)-c5[nH]nnn5)ncc1	1174
+FC(F)(F)c1c(C(=O)O)cnc(n1)N	6
+FC(F)(F)c1c(cnc(n1)Nc2cccc(Cl)c2)C(=O)O	426
+FC(F)(F)c1nc(sc1)C(N)C	102
+FC(F)(F)c1c(sc(C)n1)C(=O)O	6
+FC(F)(F)c1n(c2c(c(C(O)=O)cc(N3CCOCC3)c2)n1)Cc4c(c(Cl)ccc4)Cl	1
+FC(F)(F)c1ccc2cc(c(nc2n1)C)C(=O)O	1
+FC(F)(F)c1c(nc2c(cc(OC)cc2)n1)-c3c(Cl)cc(C(=O)O)cc3	2235
+FC(F)(F)c1nc(c2c(n1)cccc2)NN=C(c3ccc(cc3)C)C	1713
+FC(F)(F)c1c(C)n2c(ccc(CO)n2)n1	453
+FC(F)(F)c1cn2c(CNCC2)n1	4441
+FC(F)(F)c1ncc(-c2ncc(c(n2)CCOC)CO)cc1	897
+FC(F)(F)c1ncc(cc1)-c2cc(C#N)ncn2	2266
+FC(F)(F)c1ncc(CN2N=C3N(C2=O)C=CC(c4ccc(cc4)C)=C3Cl)cc1	4768
+FC(F)(F)c1ccc(cn1)CN2C(=O)N3C(C(c4ccc(cc4)Cl)=C(c5ccc(cc5)C)C=C3)=N2	9392
+FC(F)(F)c1ccc(Oc2cc3c(cc2)nc(cc3)C(OC)=O)cn1	9393
+FC(F)(F)c1ncc(cc1)-c2ncnc(CN)c2	421
+FC(F)(F)c1ncc(cc1)-c2nc(c(COc3ccc(OC(C)(C)C(O)=O)c(C)c3)cn2)CCOC	3
+FC(F)(F)c1ncc(cc1)-c2cc(ncn2)CNC(CN(S(=O)(=O)c3ccc(cc3)F)C(C)C)=O	9
+FC(F)(F)c1ccc(cn1)-c2nc3n(ccc3c(O)n2)C	4521
+FC(F)(F)c1ncc(cc1)Cc2n3c(nn2)cc(c(Br)c3)-c4ccc(cc4)Cl	757
+FC(F)(F)c1ccc(Cc2nnc3cc(-c4ccc(cc4)Cl)c(-c5ccc(cc5Cl)Cl)cn23)cn1	89
+FC(F)(F)c1ccc(NC(=O)c2nn(c3ccc(Br)cc23)C4CCCCO4)cn1	510
+FC(F)(F)c1ccc(Nc2ccc(nc2)-c3ccc(cc3)C4CCC(CC4)CC(=O)OC)cn1	3405
+FC(F)(F)c1ncc(cc1)NC(=O)c2ccc(cc2)Oc3c(cc4C(CCOc4c3)C(=O)OC)C#N	487
+FC(F)(F)c1ncc(cc1)NC(=O)c2ccc(cc2)Oc3cc4c(C(CCO4)C(=O)O)cc3C#N	4
+FC(F)(F)c1c(C)cc(cn1)C(OC)=O	4788
+FC(F)(F)c1c(cc(cn1)CO)C	382
+FC(F)(F)c1ncc(cn1)Oc2ccc(cc2)C=O	3029
+FC(F)(F)c1ncc(cn1)Oc2c(F)cc(cc2F)CCOc3nc(c(Cc4cncnc4)cn3)O	3063
+FC(F)(F)c1ncc(cn1)Oc2ccc(cc2)CCO	1709
+FC(F)(F)c1ncc(cn1)Oc2ccc(cc2)C=C	2864
+FC(F)(F)c1cnc(cn1)NCC2N(CC3CC3C2)C(c4nc(ccc4-n5cccn5)C)=O	147
+FC(F)(F)c1nccc(c1)-c2nccnc2Oc3ccc(cc3)C(=O)c4[nH]c5c(n4)cccc5	1940
+FC(F)(F)c1nccc(c1C(=O)O)N	1
+FC(F)(F)c1nccc(n1)N2CCC(CC2)CN	51
+FC(F)(F)c1ncc(c(O)c1)I	625
+FC(F)(F)c1cc(ccn1)Oc2ccc(cc2)[N+]([O-])=O	46
+FC(F)(F)c1nccc(N2C(=O)NC(c3ccc(C#N)cc3Br)C=4C(=O)CCC2=4)c1	3065
+FC(F)(F)c1nccc(N)c1C(NC(C)Cc2ccc(c(c2)F)F)=O	56
+FC(F)(F)c1c(c(N)ccn1)C(NC(Cc2ccccc2)C)=O	56
+FC(F)(F)c1nccc(N2CCC(CC2)C#N)n1	143
+FC(F)(F)c1ncccc1-c2oc(nn2)-c3cc(c(O)c([N+]([O-])=O)c3)OC	5
+FC(F)(F)c1ncccc1-c2oc(-c3cc(c(O)c(O)c3)[N+](=O)[O-])nn2	5
+FC(F)(F)c1cc(ncn1)Nc2nc(-c3scnc3)cc(C)c2	834
+FC(F)(F)c1nn(c(c1)C(Nc2ccc(cc2)Br)=O)-c3ccccc3Cl	772
+FC(F)(F)c1nn(-c2ncccc2Cl)c(C3=Nc4c(C(O3)=O)cc5nsnc5c4Cl)c1	2241
+FC(F)(F)c1nn(c(c1)-c2ccc(cc2)-c3cocc3)-c4ccc(S(=O)(=O)C)c(F)c4	1628
+FC(F)(F)c1nn(-c2ccc(cc2)CC(=O)O)c3c1CCCC3	3
+FC(F)(F)c1nn(c(c1)CNC(=O)Nc2cc(F)c(CO)cc2)-c3c(OC)c(Cl)ccc3	238
+FC(F)(F)c1cc(n(n1)-c2c(cccn2)Cl)C(Nc3c(C(=O)NC)cc4c(nsn4)c3Cl)=O	1302
+FC(F)(F)c1cc(-c2c(cc(NC(=O)c3c(cccc3F)F)cc2)F)n(C)n1	50
+FC(F)(F)c1c(C(Nc2c(-c3cc(F)ccc3F)cccc2)=O)cn(n1)C	9394
+FC(F)(F)c1c(CCOS(=O)(=O)C)cn(n1)CC(=O)Nc2c(c3c(CCCC3)s2)C(=O)N	7
+FC(F)(F)c1nn(CC(N2CCC(CC2)C(N)=S)=O)c(C)c1	2670
+FC(F)(F)c1nn(CC(=O)Nc2c(nn3CCCC(c23)=O)C(=O)N)c4CCCCc14	3810
+FC(F)(F)c1cc(CNC(Nc2ccc(cc2)C(CO)(CO)O)=O)n(-c3cccc(c3)Cl)n1	238
+FC(F)(F)c1cc(CNC(=O)Nc2cc(F)c(CO)cc2)n(-c3cccc(c3)Cl)n1	238
+FC(F)(F)c1cc(n(-c2cccc(c2)Cl)n1)CNC(=O)Nc3ccc(nc3)C#N	238
+FC(F)(F)c1nn(c(c1)C(=O)Nc2ccc(cc2)-c3ccc(cc3)NC(C)=O)-c4c(Cl)cccc4	11
+FC(F)(F)c1nn(c2c1C(CC(C)(C)C2)=O)-c3ccc(C(N)=O)c(NC4CCC(CC4)N)c3	216
+FC(F)(F)c1c2CCNCc2n(CC(=O)Nc3c(OC)ccc(Cl)c3)n1	2
+FC(F)(F)c1c2c(n(n1)-c3ccc4c(c3)c(N)no4)C(N(c5ccc(cc5)N6C(=O)CCCC6)CC2)=O	2134
+FC(F)(F)c1nn(-c2ccccc2)cc1C(NCCN)=O	4340
+FC(F)(F)c1c(C(=O)O)cn(Cc2ccc(cc2)OC)n1	6
+FC(F)(F)c1c(C(C)O)cn(n1)Cc2nc3sc(C)cc3c(O)n2	9395
+FC(F)(F)c1nn(cc1CO)Cc2ccc3c(c2)CCC3N	102
+FC(F)(F)c1nn(cc1CO)Cc2cc3CCC(NS(=O)(=O)c4c(cccc4)OC)c3cc2	71
+FC(F)(F)c1nn2c(COC)ccc(C=O)c2c1	200
+FC(F)(F)c1sc(N(C)C2CCNCC2)nn1	62
+FC(F)(F)c1nnc(cc1)NC2CCN(CC2)Cc3ccc(cc3)F	48
+FC(F)(F)c1nnc(Oc2c(C=CC(=O)O)ccc(OCCOC)c2)cc1	108
+FC(F)(F)c1nnc(NC2CCNCC2)cc1	2
+FC(F)(F)c1nnc(N(C2CCN(CC2)C(OCc3ccccc3)=O)C)s1	9396
+FC(F)(F)c1nnc2CN(c3n4c(c(Br)n3)c(N)ncc4)CCn12	522
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCCOS(=O)(=O)C)CC2	7
+FC(F)(F)c1n(-c2ccc(cc2)O)nnn1	16
+FC(F)(F)c1oc(CN2c3ccccc3C4(COc5c4nc(O)cc5)C2=O)cc1	104
+FC(F)(F)c1oc(CN2c3ccccc3C4(c5c(OC4)cc6c(OCO6)n5)C2=O)cc1	981
+FC(F)(F)c1oc(CN2C(C(c3c2cccc3)c4c(cc5c(OCO5)c4)OCc6ccccc6)=O)cc1	462
+FC(F)(F)c1oc(CN2c3c(C(O)(c4c(OCc5ccccc5)cc6OCOc6c4)C2=O)cccc3)cc1	22
+FC(F)(F)c1onc(-c2cncc(c2)C(NCCc3nc(-c4ccc(cc4)C#N)oc3)=O)n1	56
+FC(F)(F)c1nnc(N(C)C2CCN(CC2)Cc3ccc(cc3)F)s1	171
+c1cc(ccc1Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC)-n4cccn4	4789
+c1cc(ccc1Br)Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC	4789
+FC(F)(C#N)C(F)(F)OC	143
+FC(F)(Oc1cccnc1C2CC2)C	2222
+FC(F)(Oc1cc(Nc2nccc(-c3cc(CN)ncc3)n2)ccc1)C(F)F	421
+FC(F)(Oc1cc(ccc1)Nc2nccc(n2)-c3ccnc(C(N)=O)c3)C(F)F	1200
+FC(F)(P(O)(O)=O)c1ccc(CN(S(=O)(=O)c2ccccc2)Cc3ccc(cc3)C(O)=O)cc1Br	1
+FC(F)(P(O)(O)=O)c1ccc(CN(S(=O)(=O)c2ccccc2)Cc3ccc(cc3)C(=O)OC)cc1Br	228
+FC(F)(Cl)c1c(cc(c(n1)O)C(O)=O)Cl	1
+FC(F)(CNC(c1ncccc1C)=O)c2c(cc(Cl)cc2)Cl	81
+FC(F)(c1c(Cl)cc(Cl)cc1)CN	18
+FC(F)(c1ccc(F)c2ccccc12)C(Nc3ccc([N+](=O)[O-])c(CCOC(C)=O)c3F)=O	26
+FC(F)(c1cc(ccc1F)N)C	0
+FC(F)(C)c1cc(N)c(cc1)C(=O)OC	0
+FC(F)(CNc1ccc(C#N)c(c1F)CC(=O)OCC)c2ccc(cn2)C	60
+FC(F)(c1ccc(C)cn1)CN	18
+FC(F)(CI)c1ncc(cc1)C	343
+FC(F)(CNc1c(c(CCO)c(cc1)Cl)F)c2ccc(c3ccccc23)F	15
+FC(F)(C(Nc1ccc(c(CCOC(C)=O)c1F)N)=O)c2ccc(F)c3ccccc23	0
+FC(F)(c1nc2cc(ccc2c(SC)n1)C#N)c3ccc(F)cn3	2627
+FC(F)(C(F)(F)Cl)c1ccc(cc1)NC(=O)c2cc(c(nc2)Cl)Br	246
+FC(F)(c1c(cc(Cl)cc1)Cl)CN=[N+]=[N-]	310
+FC(F)(c1ccc(C)cn1)CO	44
+FC(F)(c1ncc(F)cc1)c2nc3c(cccc3Cl)c(n2)O	4790
+FC(F)(c1ncc(F)cc1)c2nc(c3ccc(cc3n2)OC)O	4790
+FC(F)(C(Nc1c(C(N)=O)cccc1)=O)c2ccc(F)cn2	33
+FC(F)(C(=O)Nc1ccc(c(CCO)c1F)Cl)c2ccccc2	1030
+FC(F)(c1ccccc1)CNc2c(F)c(c(cc2)Cl)CC(=O)O	2154
+FC(F)(c1ccccc1)CNc2c(c(c(cc2)Cl)CC=O)F	24
+FC(F)(c1nc2cc(ccc2c(SC)n1)C(N)=O)c3ccc(F)cn3	2265
+FC(F)(c1nc2c(cccc2)c(n1)Nc3ncc(C)s3)c4ncc(cc4)F	9397
+c1cc(ccc1S(=O)(=O)OCC(F)(F)c2ncccc2)C	36
+c1nc(ncc1)C(F)(F)CN	18
+FC(F)(c1nn2cc(nc2s1)-c3oc4cccc(N)c4n3)C	13
+FC(F)(c1nn2cc(-c3nc4c(cccc4[N+]([O-])=O)o3)nc2s1)C	9398
+O=S(=O)(C)OCCC(C)=C(F)F	7
+FC(F)=C(CCOC(c1c(C)nc(OCCCCCl)nc1)=O)C	3078
+FC(F)=C1C2(C)C(CC1)C3C(C(OC)C2)c4ccc(O)cc4CC3	805
+O=S(=O)(c1c(F)cc(-n2c(cc(n2)C(F)F)-c3cc(Cl)c(cc3)C)cc1)N	4623
+FC(F)C(N=C1C=CC=CN1Cc2ccc(nc2)F)=O	9399
+FC(F)c1cc(ncn1)O	9400
+FC(F)c1[nH]c2cc(cc(Br)c2n1)[N+](=O)[O-]	442
+FC(F)c1[nH]c2c(c(cc(c2)[N+]([O-])=O)OC)n1	442
+FC(F)C1(NC(COC1)=S)c2cccc(c2F)F	199
+FC(F)C1(c2cccc(c2F)F)COCC(=N1)N	4791
+FC(F)C1(COCC(=N1)N)c2cc([N+](=O)[O-])cc(c2F)F	77
+FC(F)c1ncnc(O)c1Oc2cc(Cl)cc(C#N)c2	9401
+FC(F)CCOc1c(ccc(C#Cc2ccc(c(C)c2)OC(F)F)c1)F	455
+Fc1cccc(F)c1S(=O)(=O)Nc2c(ccc(-c3c(-c4ccnc(NCC(F)F)n4)sc(n3)C(C)C)c2)F	96
+FC(F)COc1cc(c(C#N)nc1)Cl	1286
+FC(F)COc1cc2ncnc(Nc3cc(c(F)cc3)Cl)c2cc1[N+](=O)[O-]	724
+FC(F)COc1ccccc1	2983
+FC(F)Cn1ncnc1	4540
+FC(F)COc1cc(NC)c(cc1C(OCC)=O)N	0
+FC(F)COc1c(cc(N)c(NC)c1)C(=O)Nc2ccc(cc2)Br	0
+FC(F)COc1cc(c(C(O)=O)nc1)Cl	876
+FC(F)COc1c(C(=O)OCC)cc(N)c(N)c1	0
+FC(F)COc1cc2c(cc1N)c(Nc3cc(c(F)cc3)Cl)ncn2	0
+c1cc(ccc1OCC(F)F)C(CCCCCl)c2[nH]c(Nc3cc(F)c(cc3)-n4c(nc(n4)C)C)nn2	4792
+c1cc(ccc1C(c2c(ccc(Br)c2)Cl)=O)OCC(F)F	222
+FC(F)Oc1cc(C=O)cc2c1OC(C)C(=O)N2	1548
+FC(F)Oc1ccnc(c1C)CSc2nc3ccccc3[nH]2	1548
+FC(F)Oc1cnc(Cl)c(c1)Cl	9402
+c1cc(ccc1-n2cccn2)Cc3c(OC(F)F)nc4c(c3C)c(OCC(=O)OC)ccc4Cl	9403
+c1cc(ccc1C(=COC(F)F)C(NCCc2ccc(OCc3ccccc3)c(OC)c2)=O)Cl	9404
+FC(F)Cn1ncc(c1)Nc2ncc3c(n2)n(CC4CCCN(C4)S(=O)(=O)C)nc3	2827
+FC(F)N1C(=NN(c2cc(c(C)cc2Cl)OC(C(=O)O)C)C1=O)C	4
+FC(F)N1C(=O)N(c2c(cc(C)c(OC)c2)Cl)N=C1C	662
+FC(F)N1C(=NN(c2c(cc(C)c(O)c2)Cl)C1=O)C	5
+FC(F)N1C(N(N=C1C)c2c(cc(OCc3cccc(OC(C)C(OC)=O)c3)cc2)F)=O	139
+FC(F)N1C(N(c2ccc(N)cc2F)N=C1C)=O	0
+c1cc(ccc1C(=O)O)Oc2cc(N3N=C(N(C3=O)C(F)F)C)c(F)cc2Cl	6
+FC(F)N1C(=O)N(c2ccc(cc2F)O)N=C1C	956
+C1C(CC1C(=O)O)COC(F)F	3
+FC(F)OCCCc1cc(cc(Br)c1C)C=O	1766
+FC(F)Oc1c(Cl)c(-c2cc(c(cc2Cl)Cl)C3C(C#N)(O3)C(=O)OCC)nn1C	9405
+FC(F)Oc1c(c(-c2ccc(Cl)c(c2)CO)nn1C)Cl	59
+FC(F)Oc1c(F)c(F)c(c(C(=O)C(C(=O)OCC)=COCC)c1F)[N+]([O-])=O	4793
+FC(F)Oc1c(F)c(cc(F)c1F)C(=O)O	6
+FC(F)Oc1c(F)c(C(=O)OCC)cc(F)c1N=[N+]=[N-]	1870
+FC(F)Oc1c(c(F)cc(c1F)C(OCC)=O)N	912
+C1CC1N2c3c(OC(F)F)c(c(c(N)c3C(C(=C2)C(OCC)=O)=O)F)F	0
+FC(F)Oc1ccccc1N2N=C(C(=O)C(=C2)OC)C(=O)C	1183
+FC(F)Oc1c(OC)cc(cc1)CO	41
+FC(F)Oc1c(Cl)c(nn1C)-c2ccc(Cl)c(COC(C)=O)c2	283
+FC(F)Oc1c(N)c(F)cc(C(=O)O)c1F	6
+FC(F)Oc1c(F)c(c([N+](=O)[O-])c2C(C(C(=O)OCC)=CN(C3CC3)c12)=O)F	2020
+FC(F)Oc1ccc(Br)c(OCC(=O)O)c1OC	3
+c1(cc(cc(F)c1)C2(SCCCS2)C(O)c3cc(c(cc3)OC(F)F)C)F	3077
+c1ccccc1CCCC(n2cnc3c(nc(nc23)Cc4cc(c(cc4)Cl)OC(F)F)O)C(O)C	4794
+FC(F)Oc1c(N2C=C(C(=O)C(=N2)C(N(OC)C)=O)OC)cccc1	2264
+FC(F)Oc1c(cccc1)N2C=C(C(C(C(=O)OC)=N2)=O)OC	1181
+FC(F)Oc1c2oc3c(c2c(C(O)=O)cc1)cncc3	1
+c1cc(ccc1[N+]([O-])=O)OC(c2c3c4c(ccnc4)oc3c(OC(F)F)cc2)=O	852
+FC(F)Oc1cc2n3c(nnc2c(OC)c1)c(C)nc3-c4cncc(OC)c4	2051
+FC(F)Oc1cc(-n2cc(C)nc2-c3cncc(OC)c3)c(c(OC)c1)N	0
+FC(F)Oc1cc(nn1C)-n2c(c(C(=O)O)cn2)C	6
+FC(F)Oc1cc(nn1C)-n2ncc(c2C)C#N	4740
+FC(F)Oc1c(cc(F)c(NN)c1)Cl	427
+FC(F)Oc1cc(Nc2c3cc(NC(c4ccc(nc4)OC)=O)ccc3nc(-c5nccnc5)n2)ccc1	971
+FC(F)Oc1cc(-n2cc(nc2-c3cc(cnc3)OC)C)c([N+]([O-])=O)c(c1)OC	4795
+FC(F)Oc1cc(N)c(cc1Cl)F	0
+FC(F)Oc1cc(C)cc(C)c1CC=O	9406
+FC(F)Oc1cc(Nc2c3cc(ccc3nc(n2)-c4nccnc4)N)ccc1	0
+FC(F)Oc1c(ccc(CC=O)c1)C#N	2775
+FC(F)Oc1cc(-n2ncc(c2C)C(=O)N)nn1C	9407
+FC(F)Oc1n(nc(c1Cl)-n2c(N)c(C#N)cn2)C	1188
+FC(F)Oc1n(nc(-n2c(c(C#N)cn2)C)c1Cl)C	1188
+FC(F)Oc1cc(nn1C)-n2c(c(cn2)C#N)N	9408
+FC(F)Oc1cc2cc3c(C(OC3=O)=O)nc2cc1	9409
+FC(F)Oc1cc2c(nc(C(=O)O)c(C(O)=O)c2)cc1	1
+FC(F)Oc1ccc(cc1OC)-c2nnc(cc2)NN	599
+FC(F)Oc1c(OC)cc(cc1)-c2n[n+]([O-])c(cc2)N	9410
+FC(F)Oc1c(CCOC)cc(cc1)Br	1541
+FC(F)Oc1c(C)cc(cc1)C#Cc2ccc(F)c(c2)OCC	455
+FC(F)Oc1ccc(cc1OCC)C(CC(=O)OC)N2Cc3c(C2=O)c(NC(=O)C)ccc3	26
+FC(F)Oc1ccc(C(CC(=O)OC)N2Cc3cccc(N)c3C2=O)cc1OCC	0
+FC(F)Oc1ncc(C=CC(O)CCCCc2nc3c(CCCN3)cc2)cc1	4796
+FC(F)Oc1c(OC)cc(Cc2nc3n(CC(C)O)cnc3c(n2)O)cc1	4794
+FC(F)Oc1c(OC)cc(CC#N)cc1	177
+FC(F)Oc1ccc(c(c1OC)O)Br	241
+FC(F)Oc1ccc(cc1-c2nn(cc2NC(=O)c3c4n(cccn4)nc3)CCNCc5cccnc5)Cl	132
+c1cnccc1CNCCn2nc(c(c2)NC(=O)c3c4n(cccn4)nc3)-c5cc(Cl)ccc5OC(F)F	132
+FC(F)Oc1cc([N+](=O)[O-])c(F)cc1Cl	31
+FC(F)Oc1ccc(-c2ccc(nn2)N)cc1OC	2574
+FC(F)Oc1c(cc(cc1)C(N2C(=O)c3c(cccc3NC(=O)C)C2)CC(O)=O)OCC	4
+FC(F)Oc1cc2c(nc(c(C(=O)O)c2)C(=O)OC)cc1	1
+CC(C)C1(NC(=NC1=O)c2nc3ccc(cc3cc2C(O)=O)OC(F)F)C	9411
+FC(F)Oc1cccc(F)c1C(O)=O	1
+FC(F)Oc1cc(ccc1)Nc2c3cc([N+](=O)[O-])ccc3nc(-c4nccnc4)n2	73
+c1cnccc1-c2n3nc(ccc3nc2NC(=O)C)-c4cc(c(nc4)Cl)NS(=O)(=O)c5cccc(c5)OC(F)F	9412
+FC(F)Oc1cccc(c1)S(=O)(=O)Nc2c(ncc(c2)-c3ccc4nc(NC(C)=O)c(n4n3)I)Cl	3079
+FC(F)Oc1ccccc1COc2c(C(=O)OC)sc(-n3cnc4cnccc34)c2	3080
+FC(F)Oc1ccccc1COc2cc(-n3c4ccncc4nc3)sc2C(=O)N	1355
+CN(C)C=CC(C1=NN(c2c(cccc2)OC(F)F)C=C(OC)C1=O)=O	3076
+FC(F)Oc1c(O)nccc1	104
+FC(F)Oc1ccc(nc1)CO	194
+c1c(Cl)c(c(cc1N)Cl)Oc2c(cc(OC(F)F)cn2)Cl	136
+FC(F)Oc1c(c(-c2c(Cl)cc(c(c2)C(=O)O)Cl)nn1C)Cl	1182
+FC(F)Oc1n(nc(c1Cl)-c2ccc(Cl)c(N)c2)C	0
+FC(F)Oc1ncc(cc1Cl)COC	382
+FC(F)Oc1c(Cl)cc(cn1)C=O	200
+FC(F)Oc1ccc(C=CC(CCCCc2nc3c(CCCN3)cc2)=O)cn1	9413
+FC(F)Oc1ncc(CO)cc1Cl	88
+FC(F)c1n(-c2nc(nc(c2)Cl)SC)c3c(cccc3)n1	4648
+C1CN(CCO1)c2nc(Cl)nc(-n3c(C(F)F)nc4c(OC)cccc34)n2	4647
+FC(F)c1c(-c2cc(O)ncn2)c(c(Cl)cc1)F	104
+FC(F)c1c(C(OCC)=O)cc(c(n1)O)Cl	395
+FC(F)c1nc(c(cc1C(OCC)=O)C#N)N2CC(C2)C(NS(=O)(=O)Cc3ccccc3)=O	43
+FC(F)c1ncc(cc1C(=O)O)CNC(=O)C(C)C	6
+c1cc(ccc1-c2oc3cc(c(cc3c2C(NC)=O)C4CC4)N(S(=O)(=O)C)c5ccc(c(C(F)F)c5)Br)F	1078
+FC(F)c1cc(N)c(cc1I)C(OC)=O	184
+FC(F)c1cc(N2C3=C(C(NC2=O)c4ccc(cc4)C#N)C(CC3)=O)ccc1	160
+FC(F)c1cc(N2C=3CCC(=O)C=3C(NC2=O)c4ccc(cc4)Br)ccc1	4758
+FC(F)c1c(Br)c(C)n(C2OCCCC2)n1	1738
+FC(F)c1nc(c(cc1C(OCC)=O)C#N)N2CC(C2)C(=O)NS(=O)(=O)Cc3c(F)cccc3F	344
+C1N(CC1C(=O)NS(=O)(=O)c2ccc3ccccc3c2)c4nc(c(cc4C#N)C(=O)OCC)C(F)F	344
+c1cc(ccc1)CS(=O)(=O)NC(C2CN(C2)c3c(C#N)cc(c(n3)C(F)F)C(=O)O)=O	6
+c1cc(ccc1OC)CN2C(=O)C(Br)=C(C(F)F)N=C2	9414
+c1cc(ccc1I)C(N(OC)C(=O)c2cn(nc2C(F)F)C)C	3025
+c1c(Cl)c(c(cc1Cl)Cl)CCCC(C)NC(=O)c2c(C(F)F)nn(C)c2	597
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3scc(C4=NOC(C4)c5ccccc5CO)n3	41
+c1cc(ccc1C(c2c(nc(Br)n2CC=C)C(OCC)=O)Nc3cn4c(nnc4C(F)F)c(c3)C)Cl	9415
+FC(F)c1nnc2n1cc(N)cc2C	13
+FC(F)c1sc(C(Nc2n(CC3N(CCC3)C(=O)CC#N)c4ccc(CO)cc4n2)=O)cc1	10
+C1N(CC1Cn2c3c(cccc3)nc2NC(c4sc(cc4)C(F)F)=O)C(=O)CC#N	10
+FC(F)c1sc(C(=O)Nc2n(c3ccc(cc3n2)C=O)CC4N(CCC4)C(=O)CC#N)cc1	39
+FC(F)n1nc(c(Cl)c1)C(N(C)OC)=O	4797
+FC(F)n1nc(CNc2cc(c(F)cc2)C3(N=C(N)COCC3(F)F)CC)c(Cl)c1	9416
+FC(F)n1cc(Cl)c(n1)C(=O)O	1
+FC(F)n1cc(c(C=O)n1)Cl	2231
+FC1(F)C(C(C2C(C1)(C(OC2C)=O)CCC(=O)N)C=Cc3ncc(Br)cc3)C	83
+FC1(F)CC2(CCC(=O)N)C(=O)OC(C)C2C(C1C)C=Cc3ncc(cc3)-c4c(cccc4)C#N	89
+FC1(F)C(C2c3ccccc3N(CC(N)=O)CC2)C1	3950
+FC1(F)C(C2CCNc3ccccc23)C1	15
+FC1(F)CC1C2c3c(cccc3)N(CCN)CC2	15
+FC1(F)C(CC(CNC(=O)c2cc(CCO)n3cccc(Cl)c23)CC1)C	88
+FC1(F)C(CN2c3c(nc(-c4cc(C(=O)O)ccc4C)cc3)N(S2(=O)=O)C)C1	1
+FC1(F)C(CN2c3c(nc(-c4c(C)ccc(CN5CCN(CC5)C(=O)C(O)C)c4)cc3)N(S2(=O)=O)C)C1	10
+FC1(F)C(CN2c3c(nc(-c4cc(CO)ccc4C)cc3)N(S2(=O)=O)C)C1	49
+FC1(F)C(F)(F)CN(C1)c2c(F)c(N3C=C(C(C(c4n(ncc4)-c5ccccc5)=N3)=O)OC)ccc2	79
+FC1(F)C(N(c2c(nc(nc2)Nc3cc(c(cc3OC)C(=O)O)F)N(C4CCCC4)C1)C)=O	1
+FC1(F)C(N(c2c(nc(nc2)Nc3c(cc(c(F)c3)C(NC)=O)OC)N(C4CCCC4)C1)C)=O	14
+FC1(F)CCCC(Nc2cnc(C#N)c(Cl)n2)C1N	464
+FC1(F)CC(C1)c2onc(-c3cc(NC(c4cnc5ccc(CCC(C)=O)cn45)=O)c(cc3)C)n2	466
+FC1(F)CC(C1)c2onc(-c3cc(NC(c4n5cc(ccc5nc4)CCC(C)(C)O)=O)c(cc3)C)n2	736
+FC1(F)CCC(N2CC(C)(C)C(=O)Nc3cnc(Cl)nc23)C1	2044
+FC1(F)C2N(C(C1)CC(=O)C2)Cc3ccccc3	86
+FC1(F)CCC(C(Nc2cc3c(cc2)[nH]cc3C(=O)C)=O)C1	432
+FC1(F)CCC(C(Nc2cc3c([nH]cc3)cc2)=O)C1	33
+C1CC(CCC1)C(=O)C2CCC(CC2)(F)F	86
+FC1(F)CCC(CC1)C=O	24
+FC1(F)CCCC(CNC(=O)c2cc(n3cccc(Cl)c23)CCOCC)(O)C1	56
+FC1(F)CCCC(Nc2cnc(C#N)c(Nc3ccc(cc3)-c4ccncc4)n2)C1N	1410
+FC1(F)CCCC(Nc2cnc(c(Nc3ccc(cc3)-c4ccncc4)n2)C(=O)N)C1N	1198
+C1CN(CCC1(F)F)CCO	95
+FC1(F)CCN(CC1)c2c3c(ncc(C(N)=O)c3)cnc2	393
+FC1(F)CCN(CC1)c2c3cc(C(O)=O)cnc3cnc2	6
+FC1(F)CCN(CC1)c2sc(-c3ccc(cc3)N4CCS(=O)(=O)CC4)c(C5C(C(O)=O)CCCC5)n2	4
+FC1(F)CN(C1)c2ncc(nc2OCC3CC3)C(N4CC5OCC4C5)=O	777
+FC1(F)CN(C1)c2c(nc(C(NC(C)(C)CC(NC)=O)=O)cc2)OCC3CC3	9
+FC1(F)CN(C1)c2c(nc(C(=O)NC(C)(C)CC(O)=O)cc2)OCC3CC3	3
+FC1(F)CN(C1)c2ccc(nc2OCC3CC3)C(=O)O	1
+FC1(F)C(N(c2c(nc(Nc3ccc(cc3OC)C(=O)O)nc2)N(C4CCCCC4)C1)C)=O	55
+O=S(=O)(OC=1c2ccccc2C(=O)N(CC(N(CC)c3ccc4OC(F)(F)Oc4c3)=O)N=1)c5ccc(cc5)C	9417
+FC1(F)Oc2c(O1)ccc(C=CC(N)=O)c2	2045
+c1cc(ccc1CCCCn2nncc2)OCc3nc(C=Cc4cc5OC(F)(F)Oc5cc4)oc3	547
+FC1(F)Oc2c(ccc(CO)c2)O1	611
+FC1(F)Oc2cc(ccc2O1)CC#N	177
+FC1(F)Oc2cc(NC(=O)c3c(NCc4ccnc(Nc5nc(cs5)C)c4)cccc3)ccc2O1	1731
+FC1(F)Oc2c(cccc2N3N=C(C(C)=O)C(=O)C(OC)=C3)O1	1183
+FC1(F)Oc2c(cccc2N3N=C(C(O)=O)C(=O)C(OC)=C3)O1	4
+CN(C)C=CC(C=1C(=O)C(=CN(N=1)c2cccc3c2OC(F)(F)O3)OC)=O	3076
+FC1(F)Oc2c(cccc2N3N=C(C(=O)C(=C3)OC)C(N(C)OC)=O)O1	2101
+FC1(F)Oc2c(ccc(NC(c3c(cccc3)N)=O)c2)O1	0
+C(c1c(cccc1)F)(Nc2ccc(cn2)-c3cc4OCCc4cc3Br)=O	9418
+FC1(F)Oc2cc(NC(c3c([N+](=O)[O-])cccc3)=O)ccc2O1	50
+FC1(F)Oc2ccc(C3(CC3)C(Nc4ccc(c(-c5c(ncc(C)c5)O)n4)C)=O)cc2O1	104
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4nc(c(C)c(c4)C)-c5ccc(nc5)OC)=O	3081
+O=S(=O)(C)NC(=O)c1cc(ccc1)-c2nc(NC(=O)C3(CC3)c4ccc5OC(F)(F)Oc5c4)ccc2C	258
+FC1(F)Oc2cccc(c2O1)NN	427
+c1(c(N)c(c2C(C(=CN(C3CC3F)c2c1C)C(OCC)=O)=O)[N+](=O)[O-])F	623
+N1(CC(F)CC1C(Nc2nc(ccc2)Cl)=O)C(=O)Cn3c4c(cc(cc4)Nc5nnccc5)c(C(N)=O)n3	348
+c12c(C(=O)N(C1=O)C(C)C3=C(C(N4C=C(F)C=CC4=N3)=O)Br)cccc2	4798
+FC=1C=CC2=NC(=C(C(N2C=1)=O)Br)C(C)O	3604
+c12c(cc([N+]([O-])=O)cc1nc([nH]2)CF)Br	442
+C(F)C(Nc1c(OC)cc(c(O)c1)C)=O	3976
+C(F)C(CF)(C)C(CC#N)=O	1982
+c1cc(ccc1)OC(=O)Nc2onc(C(CF)(CF)C)c2	4799
+FCC1(CF)Oc2c(cc(I)cc2)C(=C1)C(OCC)=O	158
+FCC1(CF)Oc2ccc(N)cc2C(=C1)C(OCC)=O	0
+n1n(cc(I)c1)CCF	1717
+S(c1cc(nc(NCCF)c1)N)C	9419
+c1ccccc1CON2C(c3c(N(CCF)C2=O)cc(c(F)c3)F)=O	9420
+c1cc(ccc1OCCOCCOCCF)-c2ccc3c(c2)ccc(c3)N	72
+c1cc(ccc1-c2cc3ccc(cc3cc2)OCCOCCOCCF)[N+](=O)[O-]	72
+FS(F)(F)(F)(F)c1cc2c([nH]cc2CN3C(C=4N(CC3)C(C(=CC=4)n5cc(nc5)C)=O)=O)cc1	3055
+N#CC(C#N)=C(C)c1cc2ccc(cc2cc1)N(CCOCCF)C	559
+O=S(=O)(C)Nc1cccc2n(ccc12)C(CC)(c3ccc(cc3)Cl)CCF	559
+c1c(Br)nc(CF)cc1	9421
+c1cc(ccc1)C(C)N2C(CC(C2)CC(CF)C)=O	559
+c1ccccc1CN(C2CCCC2)CC(C(=O)OCC)(F)C	9422
+c1cc(ccc1-c2cn3c(cc(C)c(CCF)c3)n2)N(C)C	559
+c1cc(ccc1-c2csc(N3C(COC3=O)CF)n2)Br	559
+c1cc(ccc1C#N)NCc2cnc(c(OCc3ccc(cc3)C#N)c2CF)C	2672
+C1CN(CCN1CCc2ccc(cc2)[N+]([O-])=O)CC(F)c3ccc(cc3)[N+]([O-])=O	3913
+c1cccc2C(=O)N(C(=O)c12)CCN(CCF)CC	559
+c1ccccc1C(=O)OC2C(C3CC(=O)OC3C2)CCC(COc4cccc(c4)Cl)F	2124
+c1ccccc1CCCF	559
+n1c(Br)cc(C2(CF)COCC(=O)N2)cc1	559
+C1CC1c2cc(c(c(C=O)c2O)C)[N+](=O)[O-]	4800
+C1CC1c2ccc(C=O)cc2C#N	4800
+C1CC1c2cc(-c3ccc4c(c3Cl)CC(=O)N4C)cnc2	2060
+O1Cc2c(OC)c(C=C)ccc2C1=O	2225
+c1(c2c(ccn2C)cc(C=O)c1C=C)F	9423
+c1c(F)c(c(cc1S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C)F)C=C	2225
+Cc1ccc(cn1)C=C	3067
+C(C)OC(c1n2cc(ccc2nc1)C=C)=O	3067
+S1c2cc(C#N)ccc2C=Cc3c1ccc(F)c3	4801
+c1cc2c(F)cccc2c(OC)c1	4801
+c12ncc(cc1cccc2)F	9424
+c1cc2c(cc1C(=O)c3c(F)cc(OC)cc3)ccc(OC)c2	335
+Fc1c(C)ccc(c1)CN2CCC(C2=O)N3CC(C(c4cc(F)c(cc4)O)CC3)F	5
+c1cc(ccc1CNCCc2c(F)cccc2)-c3onc(CCCCCCCCCCC)n3	42
+c1cc(ccc1C=O)OCc2c(F)cccc2	139
+c1cc(ccc1CCOc2c(cccc2)C(OC)=O)OCC(=O)N(CC)Cc3ccccc3F	10
+c1(c(ncc(c1)C(=O)OC)[N+](=O)[O-])OCc2c(F)cccc2	9425
+c1(C(N)=S)nc(nc2n(Cc3c(F)cccc3)cnc12)N	4802
+O=S(=O)(c1ccc(cc1)Br)Nc2c(F)c(F)c(c(F)c2F)C(=O)OC	69
+c1cc(ccc1CN(S(=O)(=O)c2cc3cc(Cl)nc(c3cc2)Br)c4nccs4)OC	9426
+O=S(=O)(Nc1nccs1)c2ccc3c(ccnc3Cl)c2	4752
+Fc1c(F)cc(c(c1)C(=O)C(C(OCC)=O)=COCC)Br	4793
+c1(OCCO)c(cc(c(F)c1)F)F	57
+c1(F)c(F)c(c(c(F)c1C)F)C(O)=O	634
+Fc1c(cc(N)c(C(NC)=O)c1)F	0
+CC(Nc1c2CCCC(c2c(c(F)c1)F)=O)=O	214
+c1(ccc(c(F)c1C(=O)O)F)Br	634
+Fc1c(F)cn(c1)-c2cc(c(cc2)N3N=C(C(O)=O)C(=O)C(OC)=C3)OCc4ccccc4	4
+Fc1c(F)cn(c1)-c2cc(c(N3C=C(OC)C(C(=N3)C(N(C)OC)=O)=O)cc2)OCc4ccccc4	2101
+Fc1cn(cc1F)-c2cc(OCc3ccccc3)c(cc2)[N+]([O-])=O	22
+c1ccc(c(Nc2ccccc2F)c1)N	0
+Fc1c(OC)cc(OC)c(F)c1N2Cc3c(c4ccn(S(=O)(=O)c5ccccc5)c4nc3)N(CC=O)C2=O	465
+Fc1c(OC)cc(OC)c(F)c1N2C(N(c3cc(C=NO)ncc3C2)CC)=O	688
+Fc1c(OC)cc(OC)c(F)c1N2Cc3cnc4n(S(=O)(=O)c5ccccc5)ccc4c3N(C2=O)CCO	237
+Fc1c(OC)cc(OC)c(F)c1N2C(N(c3c(cnc(C=O)c3)C2)CC)=O	1436
+Fc1c(OC)cc(OC)c(F)c1N2C(=O)N(CC=C)c3c4c(ncc3C2)n(S(=O)(=O)c5ccccc5)cc4	276
+Fc1c(OC)cc(OC)c(F)c1N2Cc3c(c4cc[nH]c4nc3)N(CCO)C2=O	1017
+c1(c(F)c(ccc1)OCC)C(=O)O	634
+c1c(cc(C(=O)c2cc(c(cc2)OCC)F)c(Cl)c1)Br	222
+c12c(cccc1C(C)C(=O)O2)Oc3c(F)cccc3	9427
+Nc1nc(nc(N)c1[N+]([O-])=O)-n2c3c(c(Oc4ccccc4F)n2)cccc3	4803
+c1c(Nc2c(c(F)cc(c2F)F)[N+](=O)[O-])c(F)cc(I)c1	275
+OCCONC(=O)c1c(c(c(F)c(c1)F)F)Nc2ccc(I)cc2C	1000
+O(c1c(cc(c(F)c1)N)F)c2cc(C(N)=O)ncc2	242
+c1(F)cc2c(O)ncnc2cc1F	9428
+c1(F)cc2c(O)ncnc2cc1F	1116
+Fc1c(cc(Oc2c(O)cccc2)c(N)c1)NC(C)=O	0
+c1(c(cc(c(c1CO)F)[N+]([O-])=O)F)F	49
+Fc1c(F)cc(c(Nc2n(-c3ncccc3)nc(C)c2)c1)C(O)=O	9429
+c1cc(ccc1)CN(C)C(c2cc(NC(=O)c3cc(c(cc3Cl)F)F)[nH]n2)=O	147
+Fc1cc2c(Nc3c(C(N4CC(CCOC)NCC4)=N2)ccs3)cc1F	3073
+c1cc(-c2nn3c(Cc4ccc5nccnc5c4)cnc3nc2)cc(c1C#N)F	160
+[O-][N+](CCc1cc(F)c(cc1)F)=O	364
+c1cc(ccc1F)-n2cc(OCC)c(C(Nc3cc(c(cc3)Oc4c5c(cc(c(OC)c5)OC)ncc4)F)=O)n2	772
+O=S(=O)(NC1CC1)c2c(F)ccc(NC(c3ccc(F)c(c3)F)=O)c2	50
+Fc1cc(c(C)cc1F)C(=O)Nc2[nH]nc(C(NCc3oc(nc3C(=O)OCC)C)=O)c2	81
+Fc1c(cc(c(C)c1)O)C	5
+c1(Cl)c(F)c(F)c(C)c(F)c1[N+](=O)[O-]	31
+Fc1cc(Cl)c(F)c(F)c1C	1030
+c1ccccc1CONC(=O)c2cc(F)c(cc2Nc3ccc(F)cc3F)F	514
+Fc1cc(c(C(O)=O)cc1F)Nc2ccc(F)cc2F	275
+c1(cc(-n2ccnc2)c(F)cc1[N+]([O-])=O)NCC(OCC)=O	431
+Fc1c(F)cc(c(C(=O)NC)c1)[N+]([O-])=O	14
+Fc1cc(cc(F)c1)-c2n3c(c(c(C)n3)I)nc(c2)Cl	1390
+c1(cc(cc(F)c1)C(=O)C(c2ccc(c(c2)C)OC(F)F)=O)F	4804
+c1c(F)cc(cc1C(C(=O)c2ccc(cc2)OC(F)F)=O)F	4804
+c1c(F)cc(cc1C(=O)c2cc(c(F)cc2)C#N)F	335
+c1c(F)cc(cc1Cc2ccc(c(c2)C#N)F)F	452
+c1c(F)cc(cc1C2=CCOCC2)F	252
+Fc1cc(cc(F)c1)CCO	21
+c1c(F)cc(cc1CC(NC(C)C(OC)=O)=O)F	188
+c1c(F)cc(cc1CC2NC(OC2C3N(Cc4ccccc4C3)Cc5ccc(cc5)OC)=O)F	48
+c1(cc(cc(F)c1C(=O)O)OC)F	634
+c12c(C(=O)N(C1=O)CCCN(C)CCOc3cc(F)cc(F)c3)cccc2	28
+c1(Oc2cccnc2)cc(cc([N+]([O-])=O)c1)F	551
+Fc1cc(cc(F)c1-c2nc(C(OC)=O)ccc2F)CO	41
+Fc1cc(cc(F)c1-c2nc(C(OC)=O)ccc2F)CC#N	2490
+c1(F)cc(cc(F)c1-c2c(F)ccc(C(O)=O)n2)OC	1
+c1ccccc1COc2cc(cc(F)c2-c3sc(nn3)N)Br	57
+n1c(csc1-c2cccc(Cl)c2F)C(=O)O	9430
+Nc1c(c(c(c(F)c1)Br)F)Cl	196
+c1(cc(cc(F)c1C(c2cc(C(O)=O)[nH]c2)=O)F)F	787
+Fc1cc(cc(F)c1C)CCC(OCCCC)=O	159
+c1c(F)c(c(cc1CCC2NCCCc3n(CC)nc(C)c23)F)C	2967
+Fc1cc(cc(F)c1C)CCC(NCCCc2cc(C)nn2CC)=O	9
+Fc1cc(cc(F)c1C)CCC(O)=O	1317
+Fc1cc(cc(F)c1C=2N(CC(C)CC)C(=O)C(=NC=2Cl)n3cccn3)O	5
+Fc1cc(cc(F)c1C2=C(N=C(C(=O)N2CC(C)CC)n3cccn3)Cl)OC	9431
+c1(cc(cc(F)c1C=CCO)NC(=O)OC(C)C)F	2219
+c1(F)cc(cc(F)c1CN)C#N	817
+Fc1cc(cc(F)c1CC#N)Br	163
+c1c(F)c(c(cc1Br)F)CC(=O)O	3296
+c1(cc(cc(F)c1CC(Nc2nnccc2C(=O)OCC)=O)F)F	195
+C1CC1c2cc3c(s2)N(C(=O)NC3=O)Cc4c(F)cc(cc4F)-c5c(cccc5)C#N	4805
+Fc1cc(cc(F)c1F)-c2cc3CCc4c(ccc(CCC)c4)-c3cc2	2111
+c1(cc(cc(F)c1Oc2cc(cc(C(OCC)=O)c2)O)C#N)F	46
+Fc1cc(cc(F)c1SC)C(C)=O	411
+Fc1cc(cc(F)c1F)C=2c3cc(O)ccc3C(N(c4cccc(c4)C#N)C=2)=O	5
+c1ccccc1Oc2c(F)cc(cc2F)C=C(C)C(OCC)=O	46
+c1(cc(cc(F)c1F)CCC2CCC(CC2)=O)F	374
+c1c(F)c(c(cc1C=O)F)SC	411
+c1ccccc1COc2c(cc(cc2F)[N+]([O-])=O)F	57
+c1c(F)c(c(cc1[N+](=O)[O-])F)-n2cnc(n2)C	2267
+Fc1cc(cc(F)c1N2CCN(CC2)C(C)=O)O	606
+Fc1cc(cc(F)c1OCc2ccccc2)C=O	139
+c1ccccc1COc2c(cc(cc2F)CO)F	41
+c1c(F)c(c(cc1N)F)O	16
+Fc1cc(cc(F)c1Oc2ccc(cc2)S(=O)(=O)NCCOCCOCCOCCN)C=C(C)C(=O)OCC	18
+Fc1cc(cc(F)c1Oc2ccnc3[nH]ccc23)NC(=O)C	26
+c1(F)cc(cc(F)n1)-c2nc(ncc2)Nc3n(C)ncc3	1618
+c1c(-c2ccc(cc2F)F)c(ccc1)C(C)N	474
+C(C)c1c(cc(Oc2c(cc(C#N)cc2)F)c(c1)OC)F	46
+c1nc(nn1-c2ccc(cc2F)C#N)C(=O)OC	2267
+c1(ccc2n(c1)c(cn2)-c3nccc(n3)NC4CN(CCC4)c5c(F)cc(cc5)C#N)C#N	34
+O=S(=O)(C)NC(c1ccc(c(Cl)c1)OCc2cc(F)c(cc2)F)=O	258
+c1cc(ccc1)-c2n3-c4cc(F)c(cc4NC(Cc3nn2)=O)F	9432
+c1(cccc(F)c1-c2c(cc(c(C(O)=O)n2)N)F)F	1
+Fc1cccc(F)c1-c2nc(C(=O)O)c(N)cc2	1
+Fc1cccc(F)c1-c2cccc(-c3cc4c(nccc4O)cc3)n2	16
+Fc1cccc(F)c1-c2scc(C(O)=O)n2	6
+c1c(F)c(c(cc1)F)C(=O)C(C(=O)OCC)=[N+]=[N-]	9433
+Fc1cccc(F)c1C(c2c(nc(NC3CCN(CC3)S(=O)(=O)CCCI)s2)N)=O	363
+c1c(F)c(c(cc1)F)C(=O)c2sc(nc2N)NC3CCN(CC3)S(=O)(=O)CCCSc4ncccc4	9434
+c1c(F)c(c(cc1)F)C(=O)c2sc(nc2N)NC3CCN(CC3)S(=O)(=O)CCCSc4ccncc4	4460
+Fc1cccc(F)c1CCC(OCC)=O	159
+c1c(F)c(c(cc1)F)C(=NO)Cl	761
+c1cc(ccc1S(=O)(=O)C(c2c(F)cccc2F)NC=O)C	9435
+Fc1cccc(F)c1C=NO	135
+Fc1cccc(F)c1C=CC(OCC)=O	530
+Fc1cccc(F)c1COc2c(N)nccc2	483
+Fc1cccc(F)c1CCCO	44
+Fc1cccc(F)c1COc2c3n(c(C(=O)OCC)c(n3)C)ccc2	1316
+Fc1cccc(F)c1COc2cccn3c(c(nc23)C)C(N)=O	2268
+Fc1cccc(F)c1COc2cccn3c(C(NCC(C)(COC)N)=O)c(nc23)C	312
+c1c(F)c(c(cc1)F)COc2c3n(c(c(C)n3)C(NC4Cc5c(cccc5)NC4)=O)ccc2	312
+Fc1cccc(F)c1COc2cc(C#C)cn3c(c(nc23)C)C(O)=O	6
+Fc1cccc(F)c1COc2c3n(c(C(=O)O)c(C)n3)ccc2	6
+Fc1cccc(F)c1COc2cc(Br)cn3c(c(nc23)C)C(O)=O	6
+Fc1cccc(F)c1COc2c3n(ccc2)c(c(n3)C)C(NO)=N	2269
+Fc1cccc(F)c1COc2c3nc(C)c(n3cc(c2)Br)C(=O)OCC	1316
+Fc1cccc(F)c1COc2cccc3n2nc(C)c3C(=O)O	6
+Fc1cccc(F)c1COc2c3nc(C)c(n3ccc2)C#N	1751
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2c(c(C(=O)OC)ccc2)F	69
+c1cc(ccc1-c2ncnc(c2)Nc3ccc(cc3)NS(=O)(=O)c4c(F)cccc4F)F	69
+c1([N+]([O-])=O)ccc(F)c(c1)CC(=O)O	77
+c1(-c2ccccc2F)cncc(c1C(=O)OC)Nc3ccc(I)cc3F	235
+Fc1c(F)cn(c1)-c2ccc(N)c(c2)OCc3ccccc3	0
+Fc1c(F)cn(c1)-c2cc(c(N3N=C(C(C(OC)=C3)=O)C(=O)OC)cc2)OCc4ccccc4	1181
+Fc1cnc2c(c1I)c(C(=O)c3c(F)c(N)ccc3F)c[nH]2	0
+Fc1cncc(F)c1-c2c(nc(c(c2)N)N)-c3c(F)cccc3	13
+c1c(F)c(c(cn1)F)-c2cc(c(nc2-c3cnccc3)N)N	13
+c1(c(F)cc(cn1)F)CNc2nc(F)c(cc2[N+]([O-])=O)F	182
+c1cc(ccc1F)C(C)Nc2c([N+](=O)[O-])cc(c(n2)F)F	182
+C(CCCc1ccc(F)nc1)CCC(C(=O)OC)O	4364
+C(Cl)c1ccnc(F)c1	9436
+Cc1ccc(I)c(Cl)c1	158
+COc1cc(Cl)c(cc1F)I	158
+c1(ccc(cc1I)F)C(=O)O	158
+c1c(I)nc(c(N)c1)C#N	9437
+c12ccc(O)cc1c(I)ccc2	158
+Clc1cc(I)cc(F)c1C#N	158
+COc1c(cc(Cl)c(I)c1)C(=O)O	158
+c1c(I)cc([N+]([O-])=O)c(C)c1	158
+c1cc(C(=O)OC)c(cc1I)OC	158
+COc1cc(c(F)cc1)-c2ccc(cc2I)C(=O)OC	158
+c1cc(Cl)c(Br)cc1I	158
+Oc1c(cccc1I)C(=O)C	158
+O(c1c(C)cccc1)CCCCCCCCI	1273
+O=Cc1cn(c2ccc(OC)cc12)CCCCCI	363
+c1cc(ccc1SCCCI)NS(=O)(=O)C	363
+C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O	572
+C(OC(COc1cccc(c1)CCCI)=O)C	572
+O=S(=O)(N(C)CCCC)CCCCCI	363
+O=S(=O)(Nc1c(OCc2ccccc2)ccc(C(O)CI)c1)C	1273
+CC(C)(n1ncc(c1)[N+]([O-])=O)CI	572
+C(OC(CCc1cc(c(F)c(c1)C(O)CI)F)=O)C	1319
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CCCI)CC2)=O)=O	572
+O=S(=O)(N)c1cc(ccc1C(OC)=O)I	158
+O=S(=O)(N)c1ccc(Oc2ccc(cc2F)F)c(I)c1	158
+S(c1c(c(Cl)ccc1)I)C	158
+Ic1c2[nH]cnc2ncn1	9438
+c1(C)cc(nc(I)n1)-c2cc(OCC)ccc2F	2531
+c1cnc2c(cc(C=O)cc2)c1I	9439
+c1(cc(I)c(C=O)cc1Br)F	158
+c1(OC)cc(I)cc(-c2cc(F)ccc2)c1	158
+c1(c(Cl)cccc1[N+]([O-])=O)I	158
+c1(cc2c(cc1I)CCC2)C#N	158
+O(CC)C(C(C)c1cc(C)c(I)cc1)=O	158
+c1(cc([N+]([O-])=O)ccc1I)O	158
+c1(c(OC)c(c(c(OC)c1C)CC=C(CCCI)C)C)C	363
+c1(cccc(F)c1Oc2ccc(cc2)I)F	158
+c1(nncc2c(c(C)ccc12)I)O	3377
+c1cc2c(cc1I)C(C2)=O	158
+c1c(I)cc2c(OC(=O)N2C)c1	158
+c12c(cccc1)C(=O)N(C2=O)C(CF)(C#N)CCCCI	572
+c1c(OC)c(cc(-c2c(F)cc(cc2)C(=O)OC)c1F)I	1202
+c1c(Br)c(c(cc1CC(O)C(OC)=O)Br)Oc2cc(I)c(c(C(C)C)c2)OC	158
+c1c(cc(cc1[N+]([O-])=O)C(=O)O)I	158
+c1c(C)c(c(cc1I)C)-c2c(C)cncc2C	158
+c1cc(I)c([N+]([O-])=O)cc1I	158
+c1c(cc(c(c1)CC)I)Br	158
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CC2)CCCCI)=O)=O	363
+c1cc(ccc1)-n2c3c(cc(C#N)cc3I)nc2	9440
+c1ccccc1C(c2c(OC)c(c(c(c2C)OC)C)C)CCCI	4750
+c1cc(ccc1)C(c2c(NC(CI)=O)cn(C)c2C)=O	4806
+c1cc(ccc1-c2ccc(N)c(I)c2)Cl	1202
+c1cc(ccc1-c2cc(c(cc2)O)I)C#N	1202
+c1cc(ccc1OC)-c2cc3c(cc2)[nH]c(c3I)C(=O)OCC	9441
+c12ccnn1c(-c3ccc(c(I)c3)O)c4c(n2)CCC4	1202
+c1cc(ccc1-c2[nH]c3ncc(c(c3n2)I)Cl)C(OC)=O	9442
+c1cc(ccc1I)C=CCO	2766
+CC(C)c1ccc(cc1)I	158
+c1cc(ccc1C(OCC)=O)-c2cc(c(cc2)OCCCI)-c3ccc4C(C)(C)CCC(C)(C)c4c3	1273
+ICC(COCCCCCCCC)OCCCCCCCC	1319
+c1cc(ccc1)COC(N(CC)CCCI)=O	1319
+C(CI)COCc1c(cccc1)OC	1319
+c1cc(ccc1I)CC(C)NC(=O)C	2766
+c1cc(ccc1I)CCCCCCCC	158
+c1cc(ccc1CO)CCI	363
+c1cc(ccc1CN2C(=O)c3c(C=C2)c(ccc3)I)F	158
+c1cc(ccc1Cc2ccc(cc2)-c3occn3)OCCI	363
+c1cc(ccc1I)Oc2c(Cl)ccc(c2)F	158
+c1cc(ccc1Oc2c(ccc(F)c2)F)I	158
+c1cc(ccc1)-c2cc(c(cc2)O)I	1202
+c1cc(ccc1CI)OC	9443
+c1cc(ccc1NC=C2c3ccccc3NC2=O)OCCCI	363
+c1cc(ccc1OCOC)C2(COc3c(C2c4cc(ccc4)OCCCCI)ccc(OCOC)c3)C	363
+c1cc(ccc1OCc2ccccc2)CCCCI	572
+c1cc(ccc1S(=O)(=O)n2c(cc3c2nccc3)-c4cn(c5c4nc(OC)c(c5)OC)CCI)C	363
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCI)c(OC)cc45)C)C	363
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCCI)c(cc45)OC)C)C	363
+c1cc(ccc1SC(c2ccc(OC)c(c2)OC)(C#N)CCCCCI)C	363
+Nc1ncc(F)cc1I	9444
+c1cc2c(c(Br)ccc2I)cc1	158
+c1ccccc1-c2cc(I)ccc2C(OC)=O	158
+c1cc(ccc1)-c2c(cc(I)cc2)OC	158
+c1ccccc1-c2ccc3OCCc3c2I	158
+c1ccccc1C(CCCI)=O	363
+c1ccccc1COc2cc(NC(=O)CI)ccc2OCc3ccccc3	4806
+c1ncc(-c2cc(Cl)c(I)cc2)nc1C	158
+c1(c(I)ncc(Br)c1)C	9445
+n1n(c2c(c1I)cc(cn2)[N+](=O)[O-])C	9446
+O1CCOC1CC2C(C)(C)C3(CC3C2)C	4320
+O=Cc1cc(cc2OCOc12)Br	9447
+O=S(=O)(C)N(C)c1cc2oc(c(c2cc1Br)C(=O)NC)C34C(CCC3)C4	9448
+n1c(Cl)cc(nc1I)Cl	1653
+c1cc(ccc1Cc2cc(Br)ccc2Cl)COC3CC3	9449
+c1cc(ccc1OC)Cn2c3c(nc2)c(nc(I)n3)Cl	1653
+c1cc(ccc1OC)Cn2cnc3c2nc(nc3-c4ccco4)I	1653
+n1cc(cnc1I)NC(c2cc(ccc2C)[N+]([O-])=O)=O	1653
+c1(F)c(C#N)nccc1I	916
+n1cc(I)c(O)c(C#N)c1	625
+c1(cccc(I)c1F)C#N	184
+N#Cc1cnc2c(cc(I)s2)c1Cl	2270
+C1c2c(cccc2F)NC(C(C1)I)=O	9450
+c1(-c2ncccc2)cc(Br)c(c([N+]([O-])=O)c1I)F	1252
+c1(C)c(N)cc(c(I)c1)F	184
+Nc1c(cc(I)cn1)C=O	625
+c1(ccc(-c2ccc(cc2C)C(=O)OC)cc1I)CC	1252
+c1(I)ccc(-c2cnn(C)c2)cc1[N+]([O-])=O	1252
+O1CCOC12CCC(CC2)N(c3cc(sc3C(=O)OC)I)C(=O)C4CCC(CC4)C	2270
+O=S(=O)(Nc1c2c(cccc2)c(O)c(c1)I)c3sccc3	3756
+c1cc(ccc1S(=O)(=O)n2c3c(cc2I)c4n(ncc4cn3)C)C	4807
+n1c(N)nc2c(c1O)ncn2C3C(O)C(C(CI)O3)O	343
+n1[nH]c(c2c([N+]([O-])=O)cccc12)I	538
+Ic1c(n[nH]c1)NC(=O)C	1419
+c1(c(N)c(I)nc(c1)C(OCC)=O)C	1463
+c1(C=O)cc2c([nH]nc2cc1)I	538
+c1c2c(-c3c(cc(cc3)CCC)CC2)ccc1I	184
+Ic1c(O)cc(c(Cl)n1)Br	1463
+Clc1cc(c(I)c(Cl)c1)O	184
+c1(Cl)nccn2c(ncc12)I	9451
+Ic1nc(ccc1N)Cl	1463
+n1[nH]c(c2cc([N+]([O-])=O)ccc12)I	538
+COc1cc(I)cc([N+]([O-])=O)c1N	184
+c1(I)c(n[nH]c1C)NC(=O)C	1419
+C(C1Sc2c(c(c(c(C)c2O1)C)OCOC)C)CCI	343
+n1[nH]c(c2c1cc(c(C)c2)[N+]([O-])=O)I	538
+Cc1c(c(O)nc(C)n1)I	2244
+Ic1c(c(Cl)nc(CO)c1)O	916
+c1(N2CC(OC2=O)Cn3cc(C)nn3)ccc(I)c(F)c1	184
+c1(C)cc(I)cnc1N	625
+c1(c(c(O)nc(n1)CC)I)Cl	2244
+O=S(=O)(NC1Cc2c(ccc(c2)I)C1)C(C)C	184
+[nH]1cc(I)c2cc(C(=O)O)ccc12	4616
+COc1cc(c(cc1F)-c2cc3n[nH]c(c3cc2)I)CC	538
+n1[nH]c(c2ccc([N+]([O-])=O)cc12)I	538
+c12cccc(OC)c1occ2CCI	343
+Fc1cnc2ccccc2c1I	916
+n1[nH]c(c2cc(-c3cnccc3)ncc12)I	538
+c1c(Br)c(O)c(I)cc1C(=O)OCC	184
+c1c(C)cc(c(N)c1[N+]([O-])=O)I	184
+c1c(OC)ccc2c1n(CC)c(I)c2C#N	9452
+c1c(OC)ccc2c(CCI)coc12	343
+c1c(cc(cc1[N+]([O-])=O)C(=O)O)I	184
+n1cc(I)c(c2c3ccccc3cc(OCCC)c12)O	625
+Nc1c(F)cc(cc1I)Br	184
+c1c(cc2cc(c(Cl)nc2c1)I)Br	625
+c1cc2NC(CCc2cc1I)=O	184
+c1c(I)c(cc(CCc2cc3c(cccc3)cc2)c1)F	184
+c12ncc(I)c(c1cccc2)O	625
+c1cccc2n[nH]c(I)c12	538
+c1c(OC)ccc2c1nn(C)c2I	538
+Cc1ccc(C)n1-c2nn(c(I)c2)-c3ccccc3	538
+Cc1ccc(C)n1-c2nn(-c3ccc(cc3)F)c(I)c2	538
+c1cc(ccc1)C(c2ccccc2)(CCCI)CC#N	343
+c1cc(ccc1)CC(C)(N(C)C)C(c2ccc(cc2)NCCCI)=O	343
+CC(C)(CI)COCc1ccccc1	343
+c1cc(ccc1)COc2c(CCI)cc(F)c(F)c2	343
+c1cc(ccc1)N(C(=O)C2=C3c4sc(I)cc4C=CN3C(=O)C(=C2)c5ccc(cc5)OCc6ccccc6)CCOC	2270
+c1cc(ccc1)S(=O)(=O)n2c3nccc(c3cc2I)OC	4807
+c1cc(ccc1-c2c(c(NC(=O)C)n(CC(=O)OCC)n2)I)F	1419
+c1c(OC)c(I)cc(c1)-c2cnc(cc2C)C(=O)OC	184
+CC(C)(CC(OC)=O)c1cc(c(cc1)OC)I	184
+c1c(cc(I)c(C)c1)Br	184
+c1cc(ccc1C2CC(=O)N(C2C(OCC)=O)C)I	1252
+c1(N)ccc(CC(OCC)=O)cc1I	184
+c1(I)cc(CCC(OC)=O)ccc1F	184
+c1cc(ccc1CCCC)C#Cc2ccc(c(F)c2CCC)I	184
+c1cc(ccc1Cl)-c2ncc(nc2)I	9453
+c1cc(ccc1N2C(CI)Cc3c(OC)c(OC)cc4ncnc2c34)Cl	9454
+c1(N)ccc(CCC)cc1I	184
+c1cc(c(I)cc1CCCO)O	184
+c1cc(ccc1CC2=C(C(Oc3c(c(ccc23)O)I)=O)c4c(Cl)cc(Cl)cc4)OCCBr	184
+c1ccc(cc1CCC(OC)=O)CI	4706
+c12cc(I)ccc1[nH]c3c2cccc3	184
+c1cc(ccc1)-c2nn(c(NC(=O)C)c2I)CC(=O)OCC	1419
+c1ccccc1C(c2cc(I)c(O)cc2)=O	184
+c1ccccc1C2CCC(CC2)CI	343
+c1ccccc1CCCCCCI	343
+c1ccccc1CCOCCCI	343
+c1ccccc1CNc2nc(N)nc(C)c2I	2244
+C(CCN(CCCC)c1ccc(cc1)I)C	184
+c1cc(ccc1I)N2C(=O)OC(C2)COS(=O)(=O)C	184
+Nc1ncc(cc1I)C(=O)OC	625
+c12c(ccc(c1)F)nc(c(c2O)I)CC	625
+Cc1nn(cc1I)-c2cc(F)cnc2	1419
+n1cccnc1C(F)(F)CI	343
+n1nc[nH]c1-c2c(Br)cc(I)s2	2270
+c1c2c(ccc1O)ncc(I)c2	9455
+CC(C)(C)OCC(CO)(COC)C1CCCCC1	4045
+c1(cc(C)ccc1C(C)O)OC(CC=C)C	9456
+c12c3ccccc3[nH]c1SCCC2C(C)O	4808
+c1ccccc1OCCC(O)C	4808
+c1ccccc1[Si](c2ccccc2)(OC3CC(C3)C(=O)C)C(C)(C)C	9457
+c1(ncn(-c2nc(cc(-c3cc(c(cc3)Cl)Cl)n2)C)c1)I	937
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5cc(nc(C)c5c(n4)I)Cl	2271
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5c(c(n4)I)cnc(Cl)c5	2271
+c1(ncc(Br)c(c1)Nc2ccccc2C(NOC)=O)Cl	2272
+c1(N)cc(I)c(C)nc1	13
+Ic1c(CO)cc(Br)cn1	9458
+N(=[N+]=[N-])Cc1c(I)cc(F)nc1	2324
+c1cc(ccc1NC(=O)c2cc(I)c(Cl)nc2)OC(F)(F)Cl	246
+COc1c(-c2cc(ncc2F)Cl)ccc(c1)F	1164
+O=S(=O)(C)C(CCN1C=C(C(=CC1=O)I)F)(C)C(OCC)=O	9459
+c1c(c(C#Cc2cccc(N)c2)ccc1)NC(=O)N	129
+c1(c(C)nc(C)c([N+](=O)[O-])c1O)C#N	9460
+c1cc(ccc1)-c2cc([N+](=O)[O-])cnc2O	796
+[N+]([O-])(c1cc(-n2nccc2)c(nc1)O)=O	2962
+Ic1c(ccnc1)C(=O)O	1
+c1cc(ccc1)C#Cc2c[nH]nc2NC(C)=O	1249
+c1(I)c2CCCNc2ncc1[N+](=O)[O-]	475
+c1ccccc1-c2c3c(nc(cc3)NC4c5c(CC4)cccc5)ccc2	9461
+Ic1c2c(cc(nc2n(C3CCCCO3)n1)Cl)C(=O)O	6
+c1c(-c2cc(ncc2NC)Cl)c(ccc1)Cl	1164
+c1nc(c([N+]([O-])=O)cc1I)NCc2ccc(OCc3ccc(nc3)OC)c(c2)OCC	70
+c1nc(c([N+]([O-])=O)cc1I)NCc2cc(c(OCc3ccc(nc3)OC)cc2)OC	70
+Ic1cc(ncc1)-n2nc(c3c2CCCC3)C(N)=O	247
+c12ncc(cc1NCCN2)I	15
+c1cc(ccc1)CN2C(=O)CNc3c2cc(cn3)I	9462
+c1ccccc1N2CCN3C2=NC=C(c4ccc(Oc5c6c(cc(I)s6)ncc5)c(F)c4)C3=O	680
+c1(cc(F)c(I)cc1)C(=O)N	216
+c1cccc(-c2cccnc2)c1OC	796
+c1cc(ccc1-c2sccc2)F	3082
+c1c(-c2c(C(OCC)=O)cn(c2)-c3ccnc(Cl)c3)c(ccc1)Cl	9463
+c1cc(ccc1C(=O)N2CCOCC2)-c3nn4c(cnc4cc3)C#Cc5cc(ncc5)Cl	4809
+c1cc(ccc1Cl)-c2ccnc(Cl)c2Br	1164
+c1c(I)ccnc1-n2c3cccc(F)c3c(C(=O)OC)n2	3275
+Ic1ccnc(O)c1C	2273
+c1cnc2c(c1I)cnn2-c3ccc(cc3Cl)F	4810
+c1cc(ccc1-n2ncc3c(ccnc23)I)F	4810
+O=S(=O)(C)C(CCN1C(=O)C(=C(C=C1)I)C)(C)C(OCC)=O	9464
+c1c([N+]([O-])=O)cccc1C#Cc2ccnc(SC)n2	4786
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4nc(SC)ncc4)C	4613
+FC(F)(COCc1ccccc1)Cn2cc(I)cn2	1593
+CC1(C)OC(CO1)Cn2cc(I)cn2	4811
+c1cc(ccc1)NC(N2Cc3c(cnn3CC2)I)=O	326
+c1nc(C)nc2n(nc(c12)I)Cc3c(F)cccc3	1485
+c1(OC)cc(cc(-c2c3c([nH]n2)ncnc3N)c1)F	920
+c1cc(ccc1-c2c3c(N)ncnc3[nH]n2)Oc4ccccc4	920
+c1ccccc1C2=NN(C(C=C2C(n3nc(I)c4c(N)ncnc34)C)=O)Cc5ccccc5	9465
+c1cc(ccc1-n2nc(I)c3c(N)ncnc23)[N+]([O-])=O	9466
+c1cc(ccc1Cl)-c2[nH]c(c(-c3ccc(cc3)Br)n2)-c4ccncc4	9467
+O=S(=O)(C)CC(C#N)(C)N	661
+O=C1C(NC(=O)N1)(c2cccc(Br)c2)c3cc(C)ccc3	9468
+c1cc(ccc1C#N)C2(CC3c4c(cccc4)Sc5ccccc35)C(NC(=O)N2)=O	3083
+c1cc(ccc1)COC(=O)C2CCC3(C(=O)NC(=O)N3)C2	4812
+c1cc(ccc1C#N)C2(COCC=C)C(=O)NC(N2)=O	3083
+c1cc(ccc1C2(C(=O)NC(=O)N2)C)Br	3083
+c1cc(ccc1Br)C2CCC3(NC(NC3=O)=O)C2	4812
+c1c2c(ccc1)CC3C(CCC(C#N)(N)C3)C2	661
+C1CC(CCN1Cc2ccccc2)(N)C#N	661
+c1cc(ccc1)COc2cc3CC4CCC(Cc3cc2)C4(C#N)N	661
+c1cc(ccc1)CN(CC(N)(C#N)CCc2ccccc2)C	661
+Nc1nc(C#N)c(nc1Cl)C#N	9469
+N1(CC(F)CC1C(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(=O)Cn4c5c(c(C(N)=O)n4)CCCC5	247
+Nc1c(Cl)ccc(C(=O)N)c1Cl	169
+c1(ccc(F)cc1N)C(=O)N	169
+Nc1c(cccc1Cl)C(=O)N	169
+Nc1c(nc(c(-c2ccncn2)c1)-c3occc3)N	664
+Nc1cccc(Cl)c1C(=O)N	169
+C(N)(=O)C1C(N)CCCC1	327
+C(N)(=O)c1c(OC(C)c2ccccc2Cl)cc(-c3cccnc3)s1	1355
+O(C)c1cc(cc(OC)c1)Nc2nc(Nc3ccccc3S(=O)(=O)C)c(cn2)C(=O)N	2757
+O(C)c1cc(cc(OC)c1C)C(N)=O	169
+C(CN1CCc2ccccc2C1)(CN)O	906
+c1(C(CC)C(N)=O)ccccc1I	83
+NC(=O)c1cc2c(CCCC2)c(c1OC)I	169
+O=C(c1cc([N+]([O-])=O)c(c(c1F)F)N)O	623
+NC(c1cc(-c2ccccc2[N+]([O-])=O)[nH]c1C)=O	393
+C=1(C(=O)NC(C=1c2cc(ccc2)[N+]([O-])=O)=O)c3c4ccccc4n(C)c3	9470
+Cc1cc(F)c(C#N)c(Br)c1	1767
+c1(c(cccc1OC)C#N)[N+]([O-])=O	1767
+O=S(=O)(C(c1cnc(C(N)=O)cc1C)c2cc(F)ccc2F)c3ccc(cc3)F	247
+O=S(=O)(c1cccc(C2CCN(CC2)CCC)c1N)C	623
+O=S(=O)(C)c1ccc(Oc2cc(OC)c3c(cc([nH]3)C(N)=O)c2)cn1	247
+O=S(=O)(C)c1ccc(cn1)Oc2cc(C)c3[nH]c(cc3c2)C(N)=O	247
+O=S(=O)(C)c1ccc(cn1)Oc2cc(OCC)c3[nH]c(C(N)=O)cc3c2	247
+c1(nccc(C=C2SC(NC2=O)=O)n1)N	1408
+c1(c(c(nc(N)n1)N)C#N)NC(C)c2nc3c(cc2-c4cscn4)n(cc3)C	1408
+n1n(c2c(cnc(N)n2)c1Br)C	1408
+O=S(=O)(CC)c1ccc(cc1)CN	1551
+O=S(=O)(CCC)Nc1c(F)c(c(cc1)F)NC(c2cccc3c(ncnc23)N)=O	266
+O=S(=O)(Cc1ccc2N(Cc3c4C(=CN(C(=O)c4[nH]c3C(N)=O)C)c2c1)c5ccc(cc5)Cl)C	247
+C1CCCC1CCS(=O)(=O)N	2565
+c1ccccc1CCS(=O)(=O)N	2565
+O=S(=O)(c1c(cccc1)C(=C)C)N	336
+O=S(=O)(c1cc([N+]([O-])=O)cc(c1F)C)N	336
+O=S(=O)(c1c(ccc(Cl)c1)OC)N	336
+O=S(=O)(c1cc(CCOC(C)=O)c(Br)c2cccc(c12)[N+](=O)[O-])N	336
+O=S(=O)(N)c1c(C(C)C)cc(Br)c(c1)C(C)C	336
+O=S(=O)(N)c1ccc(O)c(C(=O)O)c1	336
+O=S(=O)(c1ccc(c(c1)Cl)F)N	336
+O=S(=O)(c1cc(CC)ccc1Cl)N	336
+O=S(=O)(N)c1c(CCNC(=O)C)cc(Cl)cc1	336
+O=S(=O)(N)c1c(OS(=O)(=O)C)cccc1	336
+O=S(=O)(N(CC1COC(C)(C)O1)c2nc(Cl)nc(C(N)=O)c2)C	1134
+O=S(=O)(N(c1c2[nH]c(cc2ccc1)C(N)=O)C)c3cccs3	4813
+O=S(=O)(N)c1ccc(OC(C)C)c(c1)NC(=S)N	1099
+O=S(=O)(N1CCCc2ccccc12)c3cc(N4C(=O)Nc5cccc(C(=O)N)c5C4=O)c(Cl)cc3	169
+O=S(=O)(NCCCC(=O)N)C	728
+O=S(=O)(Nc1ccc(c(NC(=O)c2c3c(ccc2)c(ncn3)N)c1Cl)Cl)CCC	266
+c1cc(ccc1S(=O)(=O)N)C2CN(Cc3c2cc(cc3Cl)Cl)C	4814
+O=S(=O)(c1ccc(cc1)-c2c(-c3ccc(cc3)Cl)c(n4c2CCC4)C(OC)=O)N	4814
+C(Oc1c(cc(C2C=3C(CC(CC=3NC(=C2C#N)C)CCC)=O)cc1OCC)Br)CN	4782
+O=S(=O)(C)Oc1cccc(c1)C2(NC(N(C2=O)C)=N)c3cc(c(F)cc3)Br	9471
+O=S(=O)(N)c1c(C)ccc(C(O)=O)c1	336
+O=S(=O)(N)c1ccc(Br)cc1CC	336
+O=S(=O)(c1ccc(cc1F)F)N	336
+O=S(=O)(c1cc(C(=O)C)ccc1F)N	336
+O=S(=O)(N)c1c(nc(s1)Cl)C	9472
+O=S(=O)(c1cc(-c2c(nc(NC(=O)NCC)s2)C)ccc1OC)N	336
+O=S(=O)(N)c1cc(c(CCOC)s1)C	3084
+O=S(=O)(N)c1sc(c(c1)C)CCOC(=O)C	3084
+O=S(=O)(c1cc([N+]([O-])=O)c(cc1)N)C	623
+O=S(=O)(N)c1cc(c2c(OCCO2)c1)C(=O)O	336
+c1cc(ccc1CCNc2cc(nc(n2)OC)-c3cccc(S(=O)(=O)N)c3)OC	336
+O=S(=O)(c1ccc2c(CCN2C(C)=O)c1)N	336
+O=S(=O)(CC)c1c(CN)cc(cc1)C#N	1551
+O=S(=O)(c1cc2c(CC(NC(=O)C)C2)cc1)N	336
+O=S(=O)(c1cc(N2C(Nc3c(C2=O)c(C(=O)N)sc3)=O)ccc1)N4c5ccccc5CCC4	767
+O=S(=O)(c1cccs1)N(c2ccc(C)c3cc([nH]c23)C(=O)N)C	247
+O=S(=O)(c1cnc(Oc2cc(OC(COC)COC)c3c(cc(C(N)=O)[nH]3)c2)cc1)C	247
+O=S(=O)(N)c1cc(C)c(-c2ccc(OC)nc2)s1	3084
+O=S1(=O)CCC(c2c[nH]c3c(cc(cc23)Br)C(N)=O)C1	393
+O=S1(=O)CCCC(c2c3cc(cc(C(N)=O)c3[nH]c2)Br)C1	393
+OC1C(O)CN(C1)c2cc(C(=O)N)nc(n2)Cl	1134
+c1(cc(cc(n1)O)O)C	4315
+c1cc(ccc1Br)-c2ncoc2	4815
+c1ccccc1COc2c(cccc2)-c3cocn3	4815
+Oc1c2c3c(n(Cc4c(cccc4)Cl)c2ccc1)cccc3C(=O)N	666
+Oc1c2c3c(n(c2ccc1)Cc4c5ccccc5ccc4)cccc3C(=O)N	666
+c1cc([N+]([O-])=O)cc(c1)-c2cc3c(cc2)ccn3-c4ccnc(n4)N	9473
+S(C)c1cc(ccc1C(=O)N)F	169
+NC(=S)NCCCCC	4816
+NC(NC(c1c(c2cc(C)ccc2n1CC(OC)=O)C)=O)=S	4817
+NC(NC(c1n(CC(OC)=O)c2ccc(cc2c1)OC)=O)=S	4817
+c1(Br)c2n(cc(n1)C(=O)N)cc(C)n2	2232
+O=C(N)c1cc(c2sccc2c1)O	169
+n1cc2ncc(cc2c(Br)c1)C(=O)N	393
+c1(C)c(cc(cc1)C(=O)N)Br	169
+c1(cc(nc(N)n1)N)C	266
+c1(C)nc2c(NCc3c(C)cccc3CC)cc(cc2n1C)C(=O)N	169
+c1c(Cl)c(c(cc1SC)Cl)C(N)=O	169
+c1(Cl)ccnc(c1)C(=O)N	247
+Nc1n2c(ccn2)nc(Cl)c1	1994
+[N+](c1c(c(F)c(F)c(F)c1N)F)([O-])=O	623
+O=S(=O)(Nc1cc(F)cc(F)c1)c2cc(c(nc2)Cl)C(=O)N	393
+c1c(Oc2cccc3c2CNC3=O)c(Cl)cc([N+]([O-])=O)c1	4818
+c1([N+]([O-])=O)cccc(-c2nc(nc(c2C#N)N)SC)c1	266
+c1(nc(c(-c2ccncn2)cc1C#N)-c3occc3)N	664
+Nc1c(cc(c(F)c1)C#N)[N+]([O-])=O	623
+C(#N)c1c(N)c(ccc1F)F	623
+n1cc(Cl)c(cc1N)-c2nc(ccc2F)F	905
+Nc1c(C#N)c(Br)ccn1	1380
+NC(=O)c1cc(c(c(c1Cl)[N+](=O)[O-])Cl)F	1580
+O=C(N)c1c2c(c(C)c(C)[nH]2)c(cc1)Br	393
+C(Cc1c2cccnc2[nH]c1)N	2707
+C1N=C(c2cc(I)ccc2NC1=O)c3c(cccc3)Cl	9474
+c1(cc(OC)n(-c2c(cccc2)F)n1)C(=O)NC(c3ccccc3C)CC(N)=O	83
+NC(=O)c1cc(c(F)c(OCF)c1F)F	666
+c1(cc(cc(C)c1-c2cccc(CNc3cc(c(cc3)CCC(N)=O)F)c2)OCCOCC)C	83
+c1(cc(cc(C)c1S(=O)(=O)N)NC(=O)C)C	336
+c1(cc(N)cc(O)c1C)C(=O)O	4819
+c1c(c(ccc1C(=O)OC)-n2cc(nc2)C)OC	9475
+c1c2cc([N+]([O-])=O)c(N)nc2ccc1OC	4820
+Cc1c2c(cc([N+]([O-])=O)c(n2)N)ccc1	4820
+N1C(=O)c2c(c(ccc2Br)[N+]([O-])=O)C1	4818
+c1(ccc(F)c(c1N)F)[N+]([O-])=O	623
+Nc1c(F)c(ccc1Cl)C(=O)N	169
+O=C(N)CC(O)(c1cc(c(cc1)Cl)Cl)CC	728
+c1(cccc(c1)C2(C)N=C(COC2)N)Br	4791
+c1(cccc(c1)CC(N)=O)Br	327
+c1(ccccc1F)-c2ccccc2CC(N)=O	83
+c1cccc(c1C(C(=O)N)C)I	83
+c1(CCC(=O)N)ccnc(c1)C=2Sc3c(cccc3)C(N=2)=O	83
+c1(cnc(NC(NCC)=O)cc1C(=O)N)Br	666
+C(C)OC(=O)c1c(N)c2cc(OC)ccc2nc1	1724
+c12ccccc1nc(n2-c3nc(nc(n3)N)C)Cl	1342
+c1(C)cc(nc(Cl)n1)C(=O)N	247
+c1(nc(Nc2c(nnc(Cl)c2)C(=O)N)cc(C)c1)C	314
+c1(c(c(nc(SC)n1)N)C#N)NC(C)c2nc3c(cc2-c4ccnn4C)n(cc3)C	266
+c1nc(ncc1)-c2nc(c(c(N)n2)Oc3c(cccc3)OC)Cl	266
+c1(ncnc(Cl)c1-c2nnn(C)n2)N	266
+Cc1ccc2oc(C(=O)N)cc2c1	2633
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4CC(CCC4C)C(=O)N	83
+n1cc2C(N)CCCc2c(Br)c1	3721
+c12CCCCc1nc(c(c2)[N+]([O-])=O)N	664
+c12[nH]c(cc1cc(Oc3cnc(cc3)COC)cc2OC)C(=O)N	4813
+c12c(Br)cccc1c(N)nc(Cl)n2	266
+c12c(C(=O)N(C1=O)CCc3cc(C(N)=O)nn3CCC)cccc2	247
+C1CCc2c(ccc(OC)c2C1N)OC	474
+c12c(O)c(cnc1cc(c(OC)c2)F)C(=O)N	393
+c1(c(c(nc2ccccc12)Cl)[N+](=O)[O-])N	1724
+c12c3c(cccc3)nc(N)c1nc(CCC)n2CCC(NC)=O	461
+c1(n(Cc2cc(on2)-c3cccnc3)c4c5c(cccc5)nc(N)c4n1)CCC	461
+c12cc(n(c1c(cc(c2)F)Br)C)C(=O)N	247
+c12ccc(nc1ccc(c2)C(=O)N)C	666
+c12ccccc1nc(Cl)n2-c3ncnc(N)c3	266
+C1CCc2nc3c([n+]([O-])c4ccccc4c3n2OC1)N	574
+c1[nH]cc(C(=O)N)c1-c2c(c(Cl)ccc2)Cl	393
+c1c(Br)cc2CCC(N)Cc2c1	316
+c1c(Br)ccc2cc(C(=O)N)ccc12	169
+c1c(Br)ccc2cc(N)ccc12	4819
+c1c(C)c(c(cc1)C)Oc2c(cc3nc(-n4cc(C(=O)OCC)cn4)nc(c3c2)N)F	266
+c1c(C)nn(c1C)CC(=O)C=C(C)N	3580
+c1(N)ncc(C=CC=Cc2sc3c(n2)cc(c(OC)c3)OC)cc1	1380
+c1c(Cl)c(c(cc1Cn2cc(nn2)C(N)=O)Cl)Cl	9476
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2cccc(-c3c(-c4ccnc(n4)N)sc(C5CCOC5)n3)c2F	911
+c1(cc(cc(F)c1C(N)=O)OC)F	1580
+c1c(F)c(c(cc1OCC)F)Cn2c3CCCc3c(n2)C(=N)N	9477
+NC(=O)c1c(Nc2ccc(I)cc2F)cncc1-c3ccccc3F	2822
+c1c(c(cc(c1)NC(CC(N)=O)=O)F)OCc2cccc(F)c2	4821
+c1c(c(ccc1Br)F)C(Nc2nccnc2C(N)=O)=O	2232
+c1c(cc(C)c(c1)C(=O)N)Br	169
+c1c(cc(c(NC2=CC(=O)N(C)C=C2C(=O)N)c1)F)Br	9478
+c1c(cc(c(c1)Cc2c(nn(-c3c(Cl)ccc([N+]([O-])=O)c3)c2C(=O)N)CCCC)F)Br	1612
+c1c(cc2-c3nc(C(=O)N)sc3CCOc2c1)Br	9479
+C(C1Oc2c(CC1)cc(cc2)F)(O)CN	906
+c1c(cc2ccc(N)c([N+]([O-])=O)c2c1)Br	9480
+c1c(ccc(CCC(N)=O)c1F)F	83
+c1(cc(nc(n1)Cl)Cl)C(=O)N	1612
+c1c(ncn1-c2ncnc(N)c2)C	266
+Oc1c2c(cc([N+]([O-])=O)cc2)nc(n1)Cc3ccc(c(Cl)c3)Cl	4046
+c1c2CCC(C(N)=O)Oc2c3ccccc3c1	728
+C(c1c(c2ccccc2[nH]1)Cl)(=O)N	247
+c1c2c(ccc(C)c2)[nH]c1C(=O)N	247
+c1c2ccc(-c3c(Cl)cc(cc3)C(=O)N)nc2ccc1O	169
+NC(Nc1cc(ccc1OC)Br)=S	1099
+c1cc(c(cc1F)C(=O)N)[N+]([O-])=O	169
+c1ccccc1-c2c(NC(N)=S)ccc(C)c2	1099
+c1cc(ccc1)-c2oc(C3=CCCC3Cc4cccc(c4)C(N)=O)nc2-c5ccccc5	169
+c1cc(ccc1)C=2C(C(=O)N(c3nc4ccc(cc4s3)Cl)N=2)=CN	2876
+c1cc(ccc1)CC(O)CN	906
+c1cc(ccc1)CN(CC(C)(C)COC(=O)C=C(C)N)C	9481
+c1cc(ccc1)CN2CC(C(N)=O)CC2=O	327
+C1CC(CCN1Cc2ccccc2)(O)CC(=O)N	728
+c1cc(ccc1)C(CC(=O)N)NC(=O)C(C(O)C(O)C(CO)NC(=O)C(CC(C)C)NC(OCc2ccccc2)=O)O	83
+c1cc(ccc1)COC(N2CCC(CC2)n3c4c(cc3)ccc(C(=O)N)c4)=O	169
+c1cc(ccc1)COCC2n3c4c5ccccc5[n+](c(N)c4nc3COC2)[O-]	574
+c1cc(ccc1)CON2C(=O)N3C(C(N)=O)CCC2C3	83
+c1cc(ccc1)COc2cc(ccc2Cc3ccc(cc3)CC)CC(=O)N	83
+c1cc(ccc1CC(CCC(N)=O)NC(=O)CCCCCCc2ccccc2)OCc3ccccc3	83
+c1cc(ccc1)COc2cc(CCC(=O)N)ccc2	83
+c1cc(ccc1)Cc2cc(C(N)=O)ccc2	169
+c1cc(ccc1)Cc2ccc(nc2)C(N)=O	314
+c1cc(ccc1)Cn2c3cccc(C(N)=O)c3c4c(c5CCCCc5cc24)O	666
+c1cc(ccc1)Cn2cnc(C(=O)c3c(nccc3)N)c2	905
+c1cc(ccc1)Cn2c(C)cc(C(N)=O)n2	314
+Cc1nc(c2c(n(c(C)n2)CCOCCCc3cnccc3)c1C)N	3085
+c1cc(ccc1)S(=O)(=O)CCCc2n(CCCC)nc(C(N)=O)c2	247
+c1cc(ccc1-c2cc3c(cc2)[nH]cc3C#N)Br	4537
+c1cc(ccc1-c2ccccc2C#N)CC3=C(n4ncnc4N(C3=O)CC(=O)N)CCC	83
+c1cc(ccc1-c2cccnc2)-c3oc4c(n3)cccc4C(=O)N	2692
+c1cc(ccc1OC)-c2c3c(ncnc3n(C(C)C)c2)N	869
+c1cc(ccc1-c2c3c(cnc2)ccc(c3)C(=O)N)Cl	169
+c1cc(ccc1C(N)=O)-c2cnco2	169
+c1cc(ccc1C(N)=O)-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C	169
+c1cc(ccc1N)-n2c(cc3nc(c(C#N)c(O)c23)O)Cl	9482
+c1cc(ccc1-n2c3c(cnc(NC4CCC(C4)C(=O)N)n3)nn2)OCCOC	1360
+C1CCCC1(CC(=N)N)c2ccc(cc2)Br	4822
+c1cc(ccc1CC(C)N)Br	316
+c1cc(ccc1Br)N2C(=O)c3c(N)nc(C)nc3OCC2	266
+c1cc(ccc1Br)OCc2c3c(sc2)c(C(OCC)=O)cnc3N	1871
+c1cc(ccc1Br)S(=O)(=O)c2cnc(N)cc2	664
+c1cc(ccc1C2C=3NC(=O)NC(=O)C=3COC2)C#N	4823
+c1cc(ccc1OCC(C)N)C#N	316
+c1cc(ccc1OCCC(O)CN)C#N	906
+c1cc(ccc1C(=O)C)S(=O)(=O)N	336
+c1cc(ccc1C(=O)NS(=O)(=O)c2ccc(N)c([N+]([O-])=O)c2)-c3ccc(cc3)F	4651
+c1cc(ccc1C(N)=O)-c2cc(-c3cc(ccc3)[N+]([O-])=O)c(OC)cc2	9483
+c1cc(ccc1C(=O)C)C(=O)N	169
+c1cc(ccc1C(N2CCOCC2)=O)Nc3nc(Cl)ccc3C(=O)N	393
+c1cc(ccc1C(N)=O)-c2nnc(n2C)OC(C)c3nc(on3)-c4cccc(c4)Cl	666
+c1cc(ccc1C(OC)=O)CNc2nc(nc(NC3Cc4c(cccc4)C3)n2)N	1342
+c1cc(ccc1F)C(=O)c2c(nccc2)N	905
+c1cc(ccc1C(c2cc(OC)c(OC)cc2)=O)C(NCCOc3cccc(C(=N)N)c3)=O	4824
+c1cc(ccc1C2CCC=3C(=O)NC(=O)NC2=3)F	4823
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(c3cccc(c3)Cl)CC(CC(N)=O)(C)C1=O	83
+c1cc(ccc1C2N(CCC2)c3ccnc(c3)N)F	664
+c1cc(ccc1C=2N(C(c3cnn(-c4cc(ccc4)C(=N)N)c3N=2)=O)c5ccc(cc5)Cl)-c6cnc(cc6)N	4824
+c1cc(ccc1C=CC(=O)N)OC(F)F	2045
+c1cc(ccc1C(=O)N)CC(=C(C(=O)OC)C(C)C)C(OC)=O	2822
+c1cc(ccc1CC2(C(C)(C)CN(CC2)CCCOc3ccc(Cl)cc3C(N)=O)O)Cl	666
+C1CC(CCC1C(N)=O)N2C(=O)C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)n5ncnc25	83
+c1cc(ccc1CCC(=O)N)N	327
+c1cc(ccc1COc2c(cc(Br)cc2)CN3CCC(CC3)(CN)O)Cl	906
+c1cc(ccc1COc2cc(ccc2)OCc3c4c(ncc(c4sc3)C(=O)OCC)N)Cl	1871
+c1cc(ccc1Cl)Cc2c(C#N)c(-c3ccnc(c3)NC(=O)C)sc2C(=O)N	767
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4c(c(ncn4)NC5CCN(CC5)Cc6cc(ccc6)C(N)=O)c3	169
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4ncnc(NC5CCN(CC5)c6ccc(cc6)CC(=O)N)c4c3	83
+c1cc(ccc1NC(Nc2ncccc2OCc3c(Cl)cccc3)=N)Cl	3051
+c1cc(ccc1Cl)SC2CN(C2)C(N)=O	9484
+c1cc(ccc1Cn2c3ccc(F)cc3c(c2CCC(=O)N)C)-n4cncc4	83
+c1cc(ccc1Cn2c3ccc(OC)cc3c(CC(C)CC(N)=O)c2C)Br	83
+c1cc(ccc1Cn2c3c(c(C(=N)N)n2)cccc3)OC	9485
+c1cc(ccc1Cn2c3ccccc3nc2CC4CCN(CC4)CCNC(=S)N)F	4816
+c1cc(ccc1F)-c2cc(Cn3c(nc4c(nc5ccccc5c34)N)CCC)on2	3379
+c1cc(ccc1F)-c2nc3n(c2)c(c(s3)C(N)=O)C	1169
+c1cc(ccc1F)-c2csc3ncnc(CCCCOc4cncc(C(N)=O)c4)c23	2682
+c1cc(ccc1F)-c2c(cnn2C3CCCCC3)C(N)=O	1356
+c1cc(ccc1F)-n2c(-c3cn(cn3)-c4ccc(cn4)C(=O)N)c(nn2)C	393
+c1cc(ccc1F)COCC2n3c4c5ccccc5[n+](c(N)c4nc3COC2)[O-]	574
+c1cc(ccc1F)Oc2ccc(cc2)-c3nc(NC(C(=O)N)C)cc(Cl)c3	327
+c1cc(ccc1N2CCN(CC2)c3nc(-c4ccccc4)c(C(=O)N)s3)OC	4130
+c1cc(ccc1-c2noc(C(N)=O)c2)O	2633
+c1cc(ccc1O)-c2nc(C(=O)N)cs2	9486
+c1cc(ccc1O)C(c2ccc(cc2)O)=C(CC)c3ccc(cc3)OCC(=O)N	83
+c1cc(ccc1Br)OC(C)C(=O)N	83
+c1cc(ccc1N(C(=O)CN)C(C)C)OC	9487
+c1cc(ccc1S(=O)(=O)N)OC	336
+c1cc(ccc1OCC(C)N)OCC=C(C)C	316
+c1cc(ccc1OCC2CCN(CC2)C(=O)C=Cc3cnc4c(c3)CC(C(=O)N)C(=O)N4)F	4821
+c1cc(ccc1OCCOc2cc3CCCCc3cc2)CC(C(=O)OC)C(N)=O	9488
+c1cc(ccc1OCc2cccc(F)c2)N3CC(C(=O)N)CC3=O	83
+c1ccccc1COc2ccc(cc2)C(N)=O	169
+c1cc(ccc1Oc2ncnc(N)c2)[N+]([O-])=O	266
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(c2)cc(C(N)=O)[nH]3	247
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(cc([nH]3)C=4SC(CN=4)CC(=O)N)c2	83
+c1cc(ccc1F)C2CCC(C(=O)N)N2S(=O)(=O)c3ccc(cc3)C	327
+c1cc(ccc1CCC(=O)N)[N+]([O-])=O	2168
+c1cc(ccc1[N+]([O-])=O)COC(=O)N2C(CC(OS(=O)(=O)C)C2)COCC(N)=O	83
+c1cc(ccn1)-c2cc(N)c(s2)C(=O)N	767
+c1cc(ccn1)-c2sc(c(NCC)c2)C(=O)N	767
+c1cc(ccn1)-c2cc(c(s2)C(=O)N)NCCCC	767
+c1cc(nc(Cl)c1OCOC)C(=O)N	247
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(C)c(C(N)=O)n(C)n3)c1N4N=NN(C4=O)C	1612
+c1(Nc2nc(OCC)ccc2)c(nnc(Cl)c1)C(=O)N	314
+c1ccc2c(c1)C(=O)N(C2=O)CCc3ccc4nc(N)c5nc(CCOC)n(c5c4c3)CCCN6C(CCC6)=O	461
+c1cccc(c1OCCC)-c2nc(cc(n2)C(N)=O)O	314
+c1cc(ccc1)-c2c3c4c(C(CC3)N)cccc4[nH]2	474
+c1ccccc1-c2c(nnc(c2)N)Cl	1969
+c1ccccc1-c2nn(CC(=O)N)c3C(=O)N(c4ccc(cc4)Cl)C(=Nc23)c5ccc(cc5)C(C)C	83
+c1c(C)c(c(cc1CCC(=O)c2sc(c(-c3ccccc3)c2)C)C)OCC(O)CN	906
+c1cc(ccc1C#N)-c2nc3c(cc2-c4ccccc4)c5nnc(CO)n5cc3	1767
+c1cc(ccc1)-c2cccc(CN)c2	9489
+c1cc(ccc1)-c2c(c(ncc2)N)[N+]([O-])=O	664
+c1ccccc1-c2nc3c(ccc(-c4c5c(nccn5c(n4)C)N)c3)cc2	522
+c1cc(ccc1)-n2c3c(ccc(C#N)c3)nc2	1767
+c1ccccc1-n2c3ncnc(N)c3c(I)c2	869
+c1ccccc1-c2nc([nH]c2)CC3COCc4ccccc4CN3S(=O)(=O)c5c6c(ccc5)cccn6	2841
+c1ccccc1C(Nc2ccc(C#N)c(Br)c2)C(=O)N	83
+c1ccccc1-c2nc(C3CCCCC3Cc4cccc(c4)OC)oc2-c5ccccc5	9490
+c1cc(ccc1)C(N)CNC(C2CC(CCC2C(C)C)C)=O	474
+c1ccccc1C(C)N2CCC(C2C(N)=O)CN=[N+]=[N-]	327
+c1ccccc1C(Nc2ccc(c(OCc3c4c(N)ncc(C(OCC)=O)c4sc3)c2)C)=O	1871
+c1cc(ccc1)C2(c3ccccc3)C=Cc4c(n[nH]c4C2)C(N)=O	247
+c1ccccc1C2=CCN(CCCC(=N)N)CC2	4822
+c1ccccc1C2CC3(c4c(ccc(c4)Br)O2)N=C(N)N(C)C3=O	9491
+c1ccccc1C2N3C(=O)N(C(=O)C3(C)Cc4c2[nH]c5ccc(OC)cc45)CCCN	2707
+c1ccccc1C=2CCN(CCCCN(C(OCC)=O)c3c(C(=O)N)ccc(c3)[N+]([O-])=O)CC=2	169
+c1ccccc1CCN2C3CC(CC2CC3)=C(c4ccc(cc4)C(=O)N)c5ccccc5	1580
+c1ccccc1CN(Cc2ccccc2)C3COC(C(N)=O)CC3	83
+c1ccccc1CN2C(=O)N(CC2)c3sc(C(N)=O)c(C)n3	1169
+c1cc(ccc1)CN2CC(O)(CC2)CN	906
+CCC1(CC)C(CCN(Cc2ccccc2)C1)N	316
+C1CC(CCC1c2nc(c3c(N)nccn23)I)CNC(OCc4ccccc4)=O	522
+c1ccccc1COC(N2CCCC2c3nc(Br)c4n3ccnc4N)=O	522
+c1ccccc1COC(N2C(CCC2)c3oc4c(cccc4C(N)=O)n3)=O	2692
+c1ccccc1COC(NC(Cn2c3c(ccc4oc(C(N)=O)cc34)cn2)C)=O	9492
+c1ccccc1COC(NC2C(=O)N3N(CCCC3c4nc(-c5ccc(cc5)Br)c[nH]4)C(=O)CC2)=O	4165
+c1ccccc1COC(Nc2cccc(c2C)-c3c4c([nH]c5cc(OCCOC)ccc45)c(nc3)C(=O)N)=O	2268
+c1ccccc1-c2c(-c3c[nH]c(COCc4ccccc4)n3)c(C)on2	9493
+c1ccccc1COc2ccc(c(c2OC)[N+](=O)[O-])C#N	1767
+c1ccccc1COc2c(cc(cc2)CC(N)=O)C	83
+c1ccccc1COc2c(cccc2CC(CSCCC(N)=O)O)C3CCCC3	327
+c1ccccc1COc2cc(cc3[nH]c(C(=O)N)cc23)C	314
+c1ccccc1COc2cc(ccc2)-c3nc(n4ccnc(N)c34)C5CC(C5)CO	522
+c1ccccc1COc2ccc(Cl)cc2Cn3c(C)cc(C(N)=O)n3	247
+CC(C)(Cn1c(COCC)nc2c([n+]([O-])c3cc(ccc3c12)OCc4ccccc4)N)NS(=O)(=O)C	574
+c1ccccc1COc2ccc3c(n(-c4sc(c(n4)-c5cc(ccc5)Cl)C(N)=O)cn3)c2	1169
+c1ccccc1COc2c(c(ncc2)N)[N+]([O-])=O	905
+c1ccccc1Cn2c3ccc(cc3c4c(cc(-c5c(C)noc5C)cc24)C(N)=O)OC	169
+c1cc(ccc1)Cn2c3cccc(C(N)=O)c3c4c(O)cccc24	666
+c1ccccc1N2C(=O)c3c(C=C2C(Nc4c(cnc(n4)N)I)C)cccc3-c5cn(nc5)C	911
+c1ccccc1-c2nc(Nc3ccccc3)nc(n2)N	1342
+c1ccccc1OCC2OCCN(S(=O)(=O)c3c(C(=O)N)[nH]c4c(N)cc(Cl)cc34)C2	314
+c1ccccc1Oc2c(NS(=O)(=O)C)cc3OC(C(N)=O)=CC(c3c2)=O	9494
+c1ccccc1Oc2cc3c(N)c(C(=O)OCC)cnc3cc2	1724
+c1ccccc1SCCCCCn2c(nc3c(N)nc(C)c(C)c23)C	3085
+c1cc(ccc1)C#CCOCCn2c(C)nc3c(N)nc(c(c23)C)C	3085
+c1ccccc1Sc2c(C(=O)N)cccc2	1580
+c1cccn1-c2cc(c(Cl)cc2)C(N)=O	169
+c1n(c2c(c(ncn2)N)n1)C3CC(C=C3)CO	1095
+c1c(-c2cn(-c3ccnc(Cl)c3)cc2C(N)=O)c(ccc1)Cl	393
+c1nc(c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C)C(=O)N	2268
+c1nc(C(=O)N)c2n1-c3ccc(cc3C(N4C2CC4)=O)F	2268
+c1(N)ncc(c(n1)-c2n(C)c(C)nc2)F	911
+c1nc(ncc1)-c2c(N)nccc2	905
+c1ncncc1-c2cc(OCc3cccc(N)n3)nc4CCCCc24	905
+c1ncncc1Cn2nc(c3cc(cnc23)F)-c4nc5c(nn4)C(C)(C)C(=O)N5	9495
+Clc1ccc(c(Cl)c1)C=2NC(=O)c3cc(nn3C=2)C(=O)OCC	4270
+c1(c2ccc(cc2n(CC)c1)C(=O)OC)C(=O)N	393
+n1(c(c(C(=O)N)cn1)-c2ccc(-c3c(C)cnc(OC)c3C)cc2F)C4COCC4	1356
+C(CCCCC(NC)=O)CCCCCCn1c(nc2c(N)nc3ccccc3c12)CCC	461
+C(C)(O)C#Cc1nc(c2c(n1)n(cn2)C)N	1095
+O(c1c(ncc(N)n1)C(=O)N)C	2232
+c1cc(ccc1-c2c(Cl)ncnc2N)C	266
+c1(ncnc(Cl)c1-c2noc(n2)C)N	266
+Nc1c(ncnc1N)Cl	266
+Nc1c(nc(nc1Cl)C)N	266
+c1ccccc1CSc2nc(c(c(N)n2)[N+]([O-])=O)Cl	266
+C(OC)CCNc1nc(Cl)cc(n1)N	266
+c1(Cl)nc(c2ccccc2n1)N	266
+O(n1nnc2c1cccc2)c3nc(NC(c4ccc(F)cn4)C)c(C(=O)N)cn3	1906
+O(n1nnc2c1cccc2)c3nc(Nc4cccc5c4ccn5C)c(cn3)C(=O)N	1906
+n1c(nc(cc1NCC(C(N)=O)O)C(=O)N)Cl	327
+n1c2c(ccc1)cc(cc2)C(=O)N	666
+c1nc(ncc1-c2ccc(cc2)F)N	911
+n1ccnn1-c2c(C(N3CC(C(N)=O)CCC3C)=O)cccc2	83
+n1n2CCCC(c2c(c1C(=O)N)[N+](=O)[O-])=O	1134
+o1c(Br)ccc1-c2nc(-n3nccc3)cc(n2)N	266
+s1c(C)ccc1C(=O)N	767
+s1c(ccc1C(=O)C)CC(N)=O	327
+c1(sc(c(c1Br)C#N)Br)C(=O)N	767
+C(CC1CN(C(=O)C)c2cc(C)cc(C)c12)C#N	830
+Cc1ccc(c(F)c1)C#N	1879
+c1(c(C)cc(cc1Br)F)C#N	1879
+Nc1c(cc(cc1[N+]([O-])=O)F)C#N	160
+Nc1ncc(C#N)c(Cl)c1	2189
+Nc1ncc(C#N)c(F)c1	2189
+O(C)C(OC)CN(C1CCCCC1)C(CCOCCc2cccc(C#N)c2)=O	160
+O(CC)C(C(C)c1cc(C)c(cc1)C#N)=O	1013
+O(CC)C(C(C)c1ccc(nc1)C#N)=O	577
+O1CCOC12CCC(CC2)(c3ccc(nc3)C#N)O	9496
+O1c2c(OC1)c(Cl)cc(CC#N)c2	177
+O1c2cc(CC#N)cc(F)c2OC1	177
+c1c(cc2CCC(c2c1)(C#N)CC#N)F	9497
+C(OC)(=O)NC1(C(CC#N)C1)c2cc([N+]([O-])=O)ccc2	300
+C1CC(CCC1CC#N)Nc2c([N+]([O-])=O)cnc3ccsc23	300
+CC(C)C(CCC#N)c1c(OC)ccc(c1)C	300
+c1cc(ccc1)COc2c(c(ccc2)C(OCC)=O)CCCC#N	300
+N#CCc1ccnc(Br)c1	1686
+O=S(=O)(C)c1cccc(c1)-c2ccc(s2)-c3n(nc(CC#N)c3)-c4ccccc4Cl	1461
+c1cc(ccc1Oc2cc(C#N)nc(C)n2)CS(=O)(=O)NC	2266
+O=S(=O)(c1cc(ccc1)C(O)CC#N)NC2CCCCC2	830
+C1CC(CCC1)CC(=O)Nc2c(ccc3c2ccc(N4CCC(C#N)C4)n3)Cl	4444
+C1CC(CCC1COC=C)CC#N	300
+c1(NC(C)=O)c(c(CC#N)c(Cl)cc1)F	1686
+c1cccc(-c2ccc(CC#N)c(C)c2)c1Cl	1686
+O=S(=O)(c1c(c(Cl)ccc1)Cl)Nc2c(nc(cn2)C#N)OCc3cnccc3	9498
+O=S(=O)(c1cc(ccc1)C#N)c2cnc(C=Cc3ccc(cc3F)F)cc2	160
+O=S(=O)(c1cccc(-c2c3c4cc(cnc4[nH]c3c(C#N)nc2)C)c1)CC	4092
+O=S(=O)(Cc1ccc(C#N)c(OC)c1C(=O)O)c2ccccc2	160
+O=S1(=O)c2c(C(c3ccccc3)NC(CC)(C1)CCCC)cc(c(CCCC#N)c2)OC	300
+c1cc(OC)cc(OC)c1C(CCCCC)CC#N	2771
+C(CC1Oc2c3ccc(O)nc3c(C)cc2C1)C#N	913
+C(C#N)c1cc(C)c(SC)cc1F	177
+[N+](c1cc(CC#N)cc(Br)c1)([O-])=O	163
+c1(c([N+]([O-])=O)cc(C)c(C#N)c1)OC	1879
+Cc1cc(ccc1C#N)C(=O)C	9499
+C(C#N)c1c2c(ccc1C)cccc2	177
+c1(C)cccc(C)c1CNc2cccn3c(C)c(CC#N)nc23	9500
+c1(CC)c(ccc(CC#N)c1)Br	177
+N#CCc1c(C)nccc1	1716
+N#Cc1cc(CO)c(Cl)s1	9501
+c1c(Cl)c(c(cc1CC#N)Cl)Oc2cc3c(C(C)C)c[nH]c3cc2	163
+C(C#N)c1c(cc2OCOc2c1)F	177
+c12c(c(ccc1)O)cc(c(C#N)c2)F	160
+c1(I)cc(ccc1F)CC#N	163
+c1(OC)cc(CC#N)cc(Br)c1	163
+c1(OC)cc(F)cc(CC#N)c1	177
+c1(c(-c2ccc(s2)Cl)nn(c1)C(C)CC)-c3cc(C#N)ncc3	577
+c1ccc(c(OC)c1CC#N)Oc2c(F)cccc2	163
+c1(c(F)c(c(c(OC)c1)F)N2Cc3cnc(cc3C4(CC4)C2=O)C#N)OC	577
+c1(c(F)ccc(CC#N)c1)[N+]([O-])=O	163
+C(C#N)CCC(=CCc1c(OC)c(c(c(OC)c1C)C)C)C	1409
+c1(c(CCCC#N)cc(c2ccccc12)OC)OC	1409
+c1(c2c(c(ccc2)C#N)cc(Cl)n1)O	160
+c1(cc(F)ccc1)-c2cc(nc(n2)C)C#N	2266
+c1(OC)cc(cc(OC)c1OC)CC#N	177
+c1(cc(CC#N)cc2c1OCO2)OC	177
+c1cc(CC#N)cc2c1OCCO2	177
+c1(cc2sc(C#N)nc2cc1)NCCCC	9502
+C(C#N)c1ccc(C)c(C)c1	177
+c1c(CC#N)cnc(C)c1	1716
+c1(ccccc1Cl)Oc2ccc(c(CC#N)c2)OC	177
+c1(ccccc1Oc2c(OC)c(ccc2)CC#N)C	177
+c1(c2CCCC(c2ccc1)=O)C#N	160
+c12N(C3CN(CCC3C)c4ccnc(n4)C#N)C(Nc1cnc5[nH]ccc25)=O	738
+n1c(c2ccc(cc2cn1)-c3c(C)ccc(c3)C(=O)OC)C#N	2660
+c12c(ccc(C#N)c1nccc2)[N+]([O-])=O	2779
+c12c(cccc1)cc(c(c2)C)CC#N	163
+n1cc2c(cc[nH]2)c(C#N)c1	9503
+C(=C1c2cccc([N+]([O-])=O)c2C=C[N+]1=O)=[N-]	9504
+c1c(C#N)ccc2C(N(C3(C)CCC(=O)NC3=O)Cc12)=O	160
+c1c(C#N)ccc2C(N(C3CCC(=O)NC3=O)Cc12)=O	160
+c1c(C)oc(c1)CNc2ccc3c(cccc3C#N)n2	9505
+C(c1cccc2ccc(OC)cc12)C#N	177
+Clc1cc(cc(Cl)c1CC#N)Cl	177
+c1(Cl)cc(cc(Cl)c1)CC#N	177
+c1c(nc2c(C(CCC2)=O)c1)C#N	577
+c1c(F)c(c(cc1OC)F)CC#N	163
+C1(CC)Oc2c(OC1)ccc(C#N)c2	1013
+c1c(OC)c(Cl)ccc1CC#N	163
+C(C#N)c1cccc([N+]([O-])=O)c1C	177
+c1c(c(C2(O)C(=O)Nc3ccc(cc23)C#N)ccc1)OC	1013
+C(C#N)c1cccc(Cl)c1C	177
+C(C#N)c1cccc(c1F)OC	177
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5c(ccc(C#N)c5)-c4n3)c1F)F	160
+c1c2c(cc(CC#N)c1)CCC2	177
+c1(CC#N)ccc2C(Cc3c(Sc2c1)cccc3)=O	163
+c1c2c(nc(-c3cc(c(CC#N)cc3)-c4cc(ccc4)C#N)o2)ccc1	163
+FC(F)(C(F)F)Oc1cc(ccc1)Nc2nccc(C3=CC(=C=[N-])[N+](C=C3)=O)n2	9506
+c1cc(ncc1Br)CC#N	1461
+C(C#N)c1ccc(cc1C)F	177
+C(C#N)c1ccc(Cl)nc1Cl	1716
+c1cc(CO)cc(c1OC)C#N	160
+c1cc(Cl)c(cc1CC#N)C(=O)O	163
+c1cc(cc(CC2COC(=O)N2CCC)c1OC)C#N	160
+c1cc(C#N)cc(C)c1OC(C)=O	160
+c1cc(CCC#N)cc2CC(Nc12)=O	913
+c1cc(ccc1)-c2c(CN)c(CC(C)C)nc3ccc(cc23)C#N	160
+c1cc(ccc1)-c2c3ccc(cc3no2)CC#N	163
+c1cc(ccc1)-c2onc3c2cccc3CC#N	1689
+c1cc(ccc1)C(CC(OCC)=O)Nc2c([N+](=O)[O-])ccc(n2)C#N	577
+c1ccccc1C(c2cc(ccc2)OC)CCC#N	830
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)C(c4cc(cc(F)c4)C#N)C(C)(C)F	160
+c1cc(ccc1)CN2CCC(C2)CC#N	913
+c1cc(ccc1)NC2(CCN(CC2)Cc3ccccc3)C#N	1621
+c1cc(ccc1)CN2c3c(c(nc(CC#N)n3)N)NC2=O	9507
+c1cc(ccc1)COC(=O)N2CC(OCC2)CCC#N	913
+c1cc(ccc1C2(c3ccc(cc3)F)CCC(CC2)N4CCC(CC4)(C#N)Nc5ccccc5)F	1621
+c1cc(ccc1)Oc2c(c(CC#N)ccc2)OC	163
+c1cc(ccc1)Oc2cccc(n2)C#N	1704
+c1cc(ccc1)S(=O)(=O)c2cccc3cc([nH]c23)C(=O)Nc4c(-c5nnn[nH]5)cc(C#N)cc4	1013
+c1cc(ccc1-c2c(cc(C(=O)c3occc3)s2)CC#N)F	9508
+c1cc(ccc1-c2cncnc2C#N)C	2266
+c1cc(ccc1C#N)-c2nc(N3C(COC3=O)CF)sc2	160
+c1cc(ccc1-c2nc(c3cccc(C#N)c3c2)O)CN4CCN(CC4)C	160
+c1cc(ccc1C#N)-n2nc(c(C=O)c2C)C	160
+c1cc(ccc1C2CC2CC#N)Br	2771
+c1cc(ccc1C#N)C2CC3(C(N(C(N3)=O)C)=O)CC2	160
+c1cc(ccc1Br)CCc2c(CC#N)cccc2	163
+c1cc(ccc1CC=C(C)C)C(C)C#N	3583
+c1cc(ccc1C(C2CCC2)=O)CC#N	163
+c1cc(ccc1C(=O)c2cc(CC#N)ccc2)Cl	163
+c1cc(ccc1C)S(=O)(=O)N2c3c(C(CCC2)CC#N)cccc3	1409
+CC1(CCC(CC1CCC#N)OC(=O)C)C2CCC3(C)C(CCC3C2OC(C)=O)=C	677
+c1c(cc(CCCC#N)c(F)c1)Br	677
+c1cc(ccc1C(=O)c2cccs2)CC#N	163
+c1cc(ccc1CC(C(C)O)c2cccc(C#N)c2)Cl	160
+c1cc(ccc1CC#N)Sc2c(O)nc(nc2C)N	177
+c1cc(ccc1CN2C(=O)N(N=C(OC)C2=O)c3c(CC#N)cccc3)Cl	163
+c1cc(ccc1CC#N)Cc2c(C)nc(N)nc2NCCCCC	177
+c1cc(ccc1Cc2c(OCc3ccccc3)cccc2)CC#N	177
+c1cc(ccc1Cl)-n2c(-c3c(ccc(C#N)c3F)F)c(nc2)Cl	160
+c1ccccc1Oc2cc(ccc2F)C(OC(=O)C3C(C=C(c4ccc(cc4)Cl)Br)C3(C)C)C#N	9509
+c1cc(ccc1Cl)Cn2c(nc3nc(C#N)nc(NC(C)C4CC4)c23)-c5c(ccc(C)c5)OCCC=C	738
+c1cc(ccc1Cl)N2c3c(N=C(C#N)C2=O)cccc3	9510
+c1cc(ccc1C#N)Oc2ncc(cc2)C	4741
+c1cc(ccc1F)-c2ccc(cc2)C(=O)NC3CCc4c(C3)ccc(C#N)c4	160
+O=S(=O)(c1ccccc1)n2c3ccccc3c(-c4nc(ncc4C#N)NC5CN(CC5)C(c6ccc(cc6)N)=O)c2	9511
+c1cc(ccc1N2CCN(CC2)C)Nc3nc(c(CC)nc3C(=O)N)Oc4cc(C#N)cc(c4)[N+](=O)[O-]	160
+c1cc(ccc1OCCc2ncc(CC#N)cc2)[N+]([O-])=O	1716
+c1cc(ccc1Oc2ccc(cc2CC#N)C)C	177
+c1ccccc1COCC2C(CC=CC2)CC#N	677
+N#CCC1Cc2c(cccc2)OC1	677
+c12ccccc1OC(CC2)CCC#N	677
+O1c2c(cccc2)CC1CCC#N	677
+c1c2NC(CCc2cc(C#N)c1)=O	1013
+c1cc2c(cc(cn2)C#N)cc1CO	1684
+c1cccc2c1c(c3ccccc3c2C=O)C#N	160
+c1cc2c(ccc(NC(C)=O)n2)cc1CC#N	163
+c1cc2ccc(nc2c(c1F)CC#N)OC	1689
+c1ccc(nc1-c2cccc(n2)C(OC)=O)C#N	1704
+C(C#N)c1cccc(OCCOC)c1OC	177
+c1ccccc1-c2n(c(nc2-c3ccccc3)-c4ccccc4)CCCCCCCC#N	830
+c1ccccc1-c2onc3ccc(cc23)CC#N	163
+c1ccccc1-c2ccc(-c3nnc(N(CCOC)C)n3-c4ccccc4C#N)cn2	160
+c1ccccc1-n2nc(CC#N)c(c2)C	1461
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CC#N	163
+c1ccccc1C(CCCC#N)c2c(C)c(c(c(C)c2OC)C)OC	1409
+c1cc(ccc1)C2C(CC#N)CC(=O)N2C	677
+c1ccccc1C=2N(CC(NC(C(C#N)O)Cc3ccccc3)=O)C(=O)C(C(C)C)N(C(C)=O)C=2	2069
+c1ccccc1CCCCCCC(O)C#N	2069
+c1ccccc1COc2cc(CC#N)cc(c2OC)F	177
+c1ccccc1COc2c3n(CCOC)c(nc3cc(C#N)c2)C	2627
+c1ccccc1COc2c(OC)c(cc(c2)F)CC#N	177
+c1ccccc1COc2ccc(CC#N)cc2[N+]([O-])=O	177
+c1ccccc1COc2ccc(cc2)N(c3ccc(cc3)C(CC#N)C)C	300
+c1ccccc1COc2ccc(cc2)N3C(=O)CC(CC#N)C3	913
+c1ccccc1COc2cc3c(C#N)nc(C(=O)OCC)c(c3cc2)O	1704
+c1cc(ccc1)Cc2c(CC#N)cccc2	163
+c1ccccc1N2C(=O)c3c(C=C2C(C)Nc4nc(ncc4C#N)N)cccc3-c5cn(nc5)C	9512
+c1ccccc1OCc2cc3c(ccc(C#N)c3)o2	1013
+c1ccccc1Sc2ccc(Br)cc2CC#N	177
+c1ccccc1Sc2c(cc(cc2)F)CC#N	177
+c1ccccc1Sc2ccc(cc2C)CC#N	177
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCc3cc(CC#N)ccc3	177
+c1nc(ncc1)-c2cc(CC#N)ccc2	163
+c1nc2Nc3cc(CC#N)ccc3Sc2nc1	177
+n1(ncc2cc(C#N)c(C)cc12)CCCC(OCC)=O	160
+c12c(nc(nc1c(NC)nc(n2)C#N)NCCC)NC	9513
+c1nc(ncc1Br)C#N	738
+c1(cccc(F)c1C(COc2c(nccc2)Br)N)F	4825
+c1(c(cc(cc1C(C)N)Cl)OC)OC	4825
+c1(oc(nn1)-c2ccc(C)cc2C)N	3086
+Nc1nc2c(cc(C)c(c2C)[N+]([O-])=O)[nH]1	2932
+c1c(Cl)cc(cc1Oc2c(n(Cc3nnc(o3)N)nc2CC)CC)Cl	1517
+c1(C)cccc(C)c1Nc2n3c(nc2-c4c(cccc4)-c5nnc(N)o5)ccc(F)c3	3086
+n1n2c(N)nnc2c(c(CC)c1Cl)C	4826
+c1cc(ccc1)N(CCCCCCCCOc2cccc3ccccc23)C#N	1201
+c1cc(ccc1)OCC2N=C(N)OC2	4827
+c1cc(ccc1NC#N)Br	9514
+c1cc(ccc1C2(CCN(CC2)C(c3cc(-c4oc(N)nn4)c(cc3CC)C5CCC5)=O)F)C#N	3086
+c1cc(ccc1Cl)Nc2ccc(cc2)CCC3NC(=N)OC3	4828
+c1cc(ccc1Cc2nnc(o2)N)F	1517
+c1cc(ccc1CCC2NC(OC2)=N)NS(=O)(=O)c3cccc4cnccc34	4828
+c1ccccc1C(CCC2COC(N)=N2)C	4827
+c1ccccc1S(=O)(=O)Nc2cccc(Sc3ccc4c(CN(C(N)=N4)CCC)c3)c2	2637
+c1ccccc1S(=O)(=O)Nc2cccc(c2)S(=O)c3ccc4N=C(N)N(Cc4c3)CCC	2637
+O(CC)c1cc2nnc(N)n2nc1OCC	4826
+O(C)c1c(C(N)C)cc(c(F)c1Br)Cl	1354
+O(c1cccc(c1)F)C2=CC=C[N+](=O)C2=C=[N-]	9515
+CCOC(=O)c1c(C)nc(-c2cccnc2)[nH]1	9516
+C1CCC(C1)c2n(CC(OCC)=O)c(c(Cc3ccccc3S(=O)(=O)N4CCCC4)c2C#N)C	4671
+C(C#N)c1cccc([N+]([O-])=O)c1C	9517
+O=[N+]1C=CC=C(Cl)C1=C=[N-]	9518
+N#CCc1ncc(Br)cc1Cl	9519
+Clc1cc(c(c([N+]([O-])=O)c1C)-c2cc(F)ccc2)C(C)N	1354
+C(#N)CC(O)c1cc(ccc1)O	3692
+c12cc(ccc1cncc2)C(CC#N)=O	3075
+C(c1ccccc1Br)(CC#N)=O	3075
+C=1(C)[N+](=O)C(=C=[N-])C(=CC=1)Br	9520
+c1cc(cc(c1)F)-n2c(C(N)C)cc3c(Cl)cccc23	9521
+c1cc(ccc1)-c2c(F)cc(C(C)C(CC#N)=O)cc2	2479
+c1ccccc1C(c2ccccc2)(O)CC#N	9522
+CC(C)(c1cc2cnn(c2cc1)-c3ccc(cc3)F)C(C)(C)C(=O)N	3536
+c12cc([N+]([O-])=O)ccc1[N+](=O)C(C=C2)=C=[N-]	9523
+C1(c2csc(-c3ccc(c(OCC)c3)OCC)n2)=CC=CC([N+]1=O)=C=[N-]	9524
+c1ccccc1COc2ccc(C(=O)CC#N)c(c2)F	4245
+c1cc(ccc1)CC2=CC=CC(=C=[N-])[N+]2=O	9525
+C(C(OCC)=O)n1nnc(C#N)c1	9526
+N#CC(C#N)=C(NCCSCc1c(C)nc[nH]1)NCCSCc2sc(nn2)N	3237
+Clc1cc(Nc2[nH]nc(N)c2C#N)ccc1	4829
+c1cc(ccc1)Nc2c(C#N)c([nH]n2)N	4829
+c1cc(ccc1C=2C(C)(C)OC(=C(C#N)C#N)C=2C#N)-n3nnc(-c4ccc(cc4)N(CC)CC)c3	2274
+N#CC(C#N)=C1C(=C(c2ccc(cc2)N=[N+]=[N-])C(C)(C)O1)C#N	1870
+c1cc(ccc1OC)-n2c(N)c(C#N)cn2	9527
+Clc1ccc(c(Cl)c1)-c2c(CN)c(nc(-c3cc(c4ccn(c4c3)C)OC)n2)N	4780
+c1cc(ccc1I)C(OC)=C(C#N)C#N	3240
+c1c2c(ccc1)nccc2Nc3sc(N)c(C(N)=O)n3	3087
+c1cc(ccc1Nc2nc(C(=O)N)c(N)s2)OC	3087
+c1(sc(Nc2cc3cccnc3cc2)nc1C(=O)N)N	3087
+C1CCC(C1)(CN)CN	9528
+O=S(=O)(c1ccccc1[N+](=O)[O-])OCC(=O)N2CC(CC2C#N)F	9529
+C1C(C(c2ccc(cc2Cl)F)O)C1C#N	74
+O=S1(=O)CCCN1CC23CC4C(CC(C2)C4)(C3)NCC(=O)N5C(C#N)CCC5	402
+c12c(cccc1)C(=O)N(C2=O)CC34CC5CC(NCC(=O)N6C(C#N)CCC6)(C(C5)C3)C4	402
+c1cc(ccc1F)C(N2CC(CCC2)C#N)=O	115
+C(CN1CC(CC1CO)O)C#N	987
+CCP(CCC#N)(=O)O	4332
+Cc1cc(cc(C)c1Br)C=CC#N	858
+c1(cc2c([nH]c3c2cccc3)cc1)C=CC#N	1046
+c1(cccc(C(=O)O)c1)NCCC#N	3041
+c1c2c(CCCN(CCC#N)C)c[nH]c2ccc1	987
+c1c2c(ccc1)CC(CCNCCC#N)CO2	1287
+c1cc(ccc1)NCCC#N	3041
+C(Cn1cnc(c1)[N+](=O)[O-])C#N	9530
+c1cc(ccc1)COc2nccc3c2c(N)nn3C(CC#N)C	9531
+C(#N)COc1c(C=O)cccc1C	489
+O=S(=O)(C(C)C)NCC(C)c1ccc2cc(OCC#N)ccc2c1	489
+O=S(=O)(C)NCCc1cc2ccc(OCC#N)cc2cc1	489
+O=S(=O)(N)c1ccc(NC2CCN(CC#N)C2)c(c1)[N+]([O-])=O	1576
+Cc1cc(cc(C)c1OCC#N)Cl	489
+C(#N)Cn1c2c(ccc([N+]([O-])=O)c2)cc1	9532
+N#CCOc1cc(c(OC)cc1)OC	489
+c1cc(ccc1)Cc2c3c(n(C)c2-c4ccccc4)ccc(-c5ccc(cc5)OCC#N)c3	489
+c1cc(ccc1-c2ccc3c(c2)c(CCCCC)c(n3C)-c4ccccc4)OCC#N	489
+c1cc(ccc1OCC#N)C=2C=CC(N(C=2)Cc3c(cc(Cl)cc3)F)=O	489
+c1cc(ccc1OCC#N)-c2cc3c(c(n(C)c3cc2)-c4ccccc4)C	489
+c1ccccc1-c2n(c3c(c(-c4ccc(cc4)OCC#N)ccc3)c2C)Cc5ccccc5	489
+c1cc(ccc1OCC#N)-c2ccc3n(Cc4ccccc4)c(C)c(C)c3c2	489
+c1ccccc1Cn2c3cccc(OCC#N)c3c4cc(C)ccc24	489
+c1ccccc1S(=O)(=O)n2ccc3cc(cnc23)-c4nn(cc4-c5nc(SC)ncc5)CC#N	4497
+C(C(=Cc1cc2c(n[nH]c2cc1)CC)C(C)=O)#N	9533
+c1cc(ccc1NC(=O)CC#N)-c2ccc(c(n2)O)C(O)=O	26
+[N+]([O-])(=O)c1ccccc1C=C(C#N)C(=O)N	2204
+c1cc(ccc1Cl)-c2c(-c3c(Cl)cc(cc3)Cl)nc(O)c(c2)C#N	2213
+c1cc(ccc1C)-c2c(-c3c(Cl)cc(cc3)Cl)nc(c(C#N)c2)O	2213
+c1cc(ccc1-c2c(-c3c(Cl)cc(cc3)Cl)nc(c(C#N)c2)O)F	2213
+c1cc(ccc1Cl)C(c2ccc(cc2Cl)Cn3nnc(C(=O)N)c3N)=O	4621
+c1ccccc1C=2c3c(-n4c(nnc4CN=2)CC#N)ccc(Cl)c3	1447
+C=C(C)CN1C(NC(=O)C=C1N)=O	9534
+c1(c(cc(c(Cl)c1)OC)NC(CC#N)=O)Cl	33
+Cc1cc(C)c(cc1)CNC(CC#N)=O	9
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(n(CC5CCCN5C(=O)CC#N)n3)ncnc4N)F	10
+C(C1CCCN1C(CC#N)=O)n2c3ncnc(N)c3c(n2)-c4c(cc(Oc5cccc(c5F)F)cc4)F	10
+c1cc(ccc1-c2c3c(n(CC4CCCN4C(=O)CC#N)n2)ncnc3N)Oc5cc(F)cc(c5)F	10
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CN(CCC4)C(CC#N)=O)Oc5c(ccc(F)c5)F	10
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CN(CCC4)C(CC#N)=O)Oc5cccc(F)c5	10
+c1cc(ccc1Br)-n2c(Cl)cc(NC(CC#N)=O)c2C(OCC)=O	469
+c1cc(ccc1F)NC(C2(CC2)C(=O)Nc3cc(c(cc3F)Oc4ccnc(NC(=O)CC#N)c4)F)=O	142
+c1cc(ccc1OCCOC)C(NC(=O)CC#N)CC	9
+c1cc(ccc1OCOC)C(NC(=O)CC#N)CCC	9
+c1cc(ccc1-c2nn(C3CCCN(C(CC#N)=O)C3)c4c2c(ncn4)N)Oc5c(cccc5)F	10
+c1ccccc1Oc2cc(c(-c3c4c(n(CC(C)NC(=O)CC#N)n3)ncnc4N)cc2)F	9
+c1ccccc1Oc2cc(c(cc2)-c3nn(CC4CCCN4C(=O)CC#N)c5ncnc(N)c35)F	10
+Cc1c(-c2csc(CC#N)n2)sc(N)n1	9535
+c1cc(ccc1)-c2csc(n2)CC#N	963
+c1cc(ccc1-c2c(c(nc(c2C#N)N)S)C#N)OC3CCOC3	3239
+c1c2c(ccc1)CC(CCN)CO2	51
+c1cc(ccc1)-c2cc(CCC#N)n[nH]2	9536
+c1(OCCCCC#N)c(c(O)c(cc1)C(c2c(O)cccc2)=O)CCC	8
+CC(C)N(C(=O)c1ccc(cc1)-c2occc2)Cc3ccccc3OCCCCC#N	8
+C(=C)Cn1c2C(N(C(=O)N(CCCCC)c2nc1Cl)CCCCC#N)=O	1474
+c1cc(ccc1)CC(=O)Nc2nnc(CCCCC#N)cc2	4723
+n1c(CCl)nc(c2cc(C)ccc12)O	9537
+c12sc(Br)cc1nc(CCl)nc2O	9538
+c1cc(ccc1C)CC(C)(C)NC(CCl)=O	4286
+C(Cl)c1nc2c(c(n1)O)cc(OCC)c(OCC)c2	9539
+Oc1nc(nc2c1cccc2)CCl	9540
+c1ccccc1C(c2c(Cl)c(c(OCC#N)cc2)Cl)=O	3798
+c1ccccc1C2(c3ccccc3)CCN(CC2)CC#N	1321
+O=C(NCC#N)n1cncc1	2483
+C(CCN(CCN)C)OC	51
+c1cc(ccc1C(NC(C(NCC#N)=O)Cc2nccs2)=O)-c3c(Cl)cccc3	1007
+O(Cc1sc(N)nn1)c2ccc(OC)c(OC)c2	3054
+N=C(Cc1cccnc1)NO	609
+C(C(=O)O)c1ccco1	459
+C(OC(=NC#N)CC#N)C	9541
+c1(nc2ccc(cc2[n+]([O-])n1)O)N	4830
+NC(N)=Nc1ccc(c(c1)S(=O)(=O)N2CCOCC2)C	4755
+C1CN(CCN1C)c2ccc(cc2)Nc3nc(c(C(c4cc5OCOc5cc4)=O)s3)N	4652
+n1[n+]([O-])c2ccccc2nc1N	4830
+c1ccccc1COc2cc(ccc2)NC(=N)N	9542
+C(c1c(c(-c2ccc(c(c2)Cl)Cl)[nH]c1Cl)Cl)#N	9543
+N#Cc1c(Cl)cc(cc1)-c2c(n(Cc3ccc(C(=O)O)nc3)nc2C)C	1
+N#Cc1c(Cl)cc(cc1)-c2c(n(Cc3ccc(nc3)C(NN)=O)nc2C)C	1726
+N(c1c(C#N)ncc(NC(C)C(N)=O)n1)c2cc3c(nc2)cccc3	9544
+Nc1n[nH]c2c1cc(I)cn2	1448
+N1(c2c(cccn2)C#N)CCc3c(nc(o3)-c4ccccn4)C1	43
+O=S(=O)(N(CCNc1c(C#N)nccc1)C)C	2849
+NC(=O)c1c(NC2C(CCCC2)C)c3cc(cn3nc1)[N+]([O-])=O	745
+C1CCC(Nc2c3cccn3ncc2C(=NO)N)C(C1)C	4610
+N#Cc1c(Nc2ccc(c(Cl)c2)Sc3nccn3C)c4cc5c(cc4nc1)cc(OCCCl)c(OC)c5	267
+c1(nnn[nH]1)-c2ccccc2O	424
+n1c(ncc(C#N)c1O)Nc2cccc(OC)c2	1334
+N#Cc1c(c(c2ccccc2c1)CBr)OC	9545
+c1c2c(c(cnc2c(cc1N)Cl)C#N)Nc3cc(Cl)c(cc3)F	0
+N#Cc1c(c2cc(N)cnc2nc1)Nc3cccc(c3)Br	13
+c1ccc2c(c(C(=O)OC)sc2c1)N	9546
+c1ccccc1COc2ccc(cc2)N=C(c3c(Cl)cccc3)N	1748
+NC(=O)c1c2c(N)ncnc2n(C3OC(CO)C(C3O)O)c1	745
+c1cc(ccc1Cn2c3ccccc3c(C#N)n2)OC	823
+NCc1c2c(c(OC)ccc2)ccc1	107
+N#Cc1cc(C=O)c(Cl)s1	2873
+c1(c(cc(C#N)c(c1)F)F)COc2cc(c(Cl)cc2)Cl	22
+N#Cc1cc(F)c(cc1F)CCO	95
+c1(cc(F)c(cc1F)C#N)CN	18
+NC(=O)c1cc(c(c(Br)c1F)F)F	2265
+CN(C)C=Nc1c(cc([N+](=O)[O-])c(c1[N+]([O-])=O)C)C#N	2275
+O=S(=O)(OCc1c(cc(C#N)c(F)c1)F)C	7
+c1(Br)cc2c(N)noc2cc1COc3cc(c(Cl)cc3)Cl	2134
+Nc1n[nH]c2c1cc(C#N)cn2	1448
+C1c2cc(nc(c2C(N1)=O)Nc3cc4c(c[nH]n4)cc3)NC5CCCCC5N	2798
+C1Cc2nc(O)ccc2-c3c1cccc3	2203
+NC(=O)c1cc-2c(nc1O)CCc3ccccc-23	4831
+N#Cc1c(c(CO)c2ccccc2c1)OC	49
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C#N)s3	4079
+N#Cc1ccc(Oc2ccc3B(O)OCc3c2)cc1C(=O)O	1
+Sc1c(c(c(C#N)cc1)C)C#N	1180
+N#Cc1ccc2c(c(-c3c4ccccc4ccc3)cc(N)c2)n1	0
+CCOC(=O)Nc1cc2c(c(c1)-c3c4ccccc4ccc3)nc(-c5nnn[nH]5)cc2	4832
+O=S(=O)(n1cccc1C#N)CC	4070
+O=C(c1c2CCCc3c(-c2ccc1)cccc3)O	9547
+c1(ccccc1CNc2ccc3c(cccc3n2)C(=NO)N)OC	253
+C(#N)c1c(-c2cc(N)ccc2)cccc1	11
+N#Cc1ccccc1Nc2nn3c(n2)cnc(-c4cccc(c4)C(=O)OCC)c3	490
+c1cccc2[nH]c(C(=O)OCC)c(N)c12	9548
+N#Cc1ccccc1Nc2nn3c(n2)cnc(-c4cccc(C(=O)O)c4)c3	6
+c1(oc2ccccc2c1N)C(=O)OC	9549
+N#Cc1ccccc1Oc2cc(c(C)cc2O)-c3cccs3	809
+N#Cc1ccccc1Oc2c(O)cc(cc2)C	5
+N#Cc1n(C)cc(c1)[N+](=O)[O-]	9550
+n1c(c(C=O)cn1-c2c(C#N)cccn2)C	2488
+N#Cc1c(O)ncc(I)c1	583
+c1(ccnc(C)c1)C(=O)C	9551
+N#Cc1ccnc(c1)NN	383
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)-c5nccc(c5)C#N	4451
+c1ccccc1COC(N2C(CCC(C2)Nc3nccc(c3)C#N)C)=O	182
+c1cc(ccc1)COc2n(nc(C)c2)-c3cc(ccn3)C#N	9552
+c1cc(ccc1OC)-c2n(-c3cc(C#N)ccn3)ncc2	2974
+c1ccccc1-c2n(ncc2)-c3cc(C#N)ccn3	2974
+c1cc(ccc1-c2sccc2C#N)Br	3082
+N#Cc1c(c2c(ncc([N+]([O-])=O)c2)nc1)Nc3cccc(c3)Br	698
+c1nc2c(c(Nc3cc(c(Cl)cc3Cl)OC)c1C#N)cc4cc(c(OCCCl)cc4c2)OC	179
+c1nc2cc3cc(c(OC)cc3cc2c(Nc4cc(c(Cl)cc4Cl)OC)c1C#N)O	179
+N#Cc1c(Nc2ccc(c(Cl)c2)Sc3nccn3C)c4cc5c(cc(c(OC)c5)O)cc4nc1	179
+c1(cc(-c2cc3c(ncc(C#N)c3Cl)s2)ccc1)C=O	3082
+N#Cc1c(c2cc(sc2nc1)I)Nc3cc(c(Cl)cc3Cl)OC	2844
+N#Cc1cnc2cc(c(OCCCC)cc2c1Nc3cc(c(Cl)cc3Cl)OC)OCCOC	179
+c1(N)cc(C#N)n(C)c1	13
+Nc1c(C#N)nc(Cl)cc1NC	13
+Nc1c(C#N)ncc(C)c1	13
+Brc1ccnc(CN)c1	421
+O=C(N)c1nccc(CO)c1	2835
+Cc1ccccc1-c2ccnc(C#N)c2	699
+Nc1c2ncccc2sc1C(=O)OC	9553
+Clc1c([N+]([O-])=O)cc(C)c(c1)C#N	9554
+c1(OC)c(OC)nc(C#N)cc1	4094
+c1(c(c(cc(C#N)c1N)F)F)CSC	1926
+c1cc(ccc1)COc2c(Oc3ccc(cc3Cl)Cl)cc(c(Cl)c2)C#N	1926
+c1ccccc1CNC(=O)c2c(C)cc(s2)C#N	9555
+c1cc(ccc1C(c2cncc(C#N)c2)=O)Cn3ncc(c3)C	9556
+N(=C(C(=O)O)c1c(C)sc(NC=O)n1)OC	1274
+N(C=O)c1sc(c(C(C(=O)NC2C(=O)N3C(=C(CSc4scnn4)CSC23)C(=O)O)=NOC)n1)C	471
+N(=C(C(=O)O)c1csc(NC=O)n1)OCC	1274
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(C(=NOCCC)c4nc(sc4)N)=O)=O	471
+N(=C(C(=O)O)c1csc(NC=O)n1)OCCCC	1274
+O=S(=O)(O)N1C(=O)C(C1COC(=O)N)NC(=O)C(=NOCCN=[N+]=[N-])c2nc(sc2)N	471
+c1cc(ccc1[N+]([O-])=O)COC(=O)C2=C(CSC3N2C(C3NC(C(c4csc(NC=O)n4)=NOCC)=O)=O)O	471
+N(C=O)c1scc(C(=NOCC)C(=O)NC2C(=O)N3C(=C(CSc4scnn4)CSC23)C(=O)O)n1	471
+N(=C(C(=O)O)c1csc(NC=O)n1)OCCN=[N+]=[N-]	310
+c1cc(ccc1[N+]([O-])=O)COC(=O)C2=C(CSC3C(C(N23)=O)NC(=O)C(c4nc(NC=O)sc4)=NOCCCC)Cl	471
+N(=C(C(=O)O)c1c(C)sc(N)n1)OC	3
+N(=C(C(=O)O)c1csc(N)n1)OC	3
+N(=C(C(OCC)=O)c1csc(N)n1)OCCN=[N+]=[N-]	310
+N(=C(C(=O)O)c1csc(N)n1)OCCN=[N+]=[N-]	3
+c1c2CCCC(Nc2ccc1)=O	9557
+c1(NC(NCCCCC)=O)cc2C(=O)N(Cc3ccc(c(c3)Cl)Cl)C=Nc2cc1	406
+CN(C)S(=O)(=O)c1c(c(NC(Nc2cccc(c2Cl)F)=S)ccc1Cl)O	773
+c1(cc2c(-c3c(c([nH]n3)Nc4cccc(F)c4)C2)cc1OC)OC	9558
+C(CN)NC(=S)Nc1c(CC)c2c(ocn2)cc1	1167
+CONCc1cccc(F)c1	1059
+c1ccc2c(nn(n2)-c3cc(ccc3O)CCO)c1	4833
+C(c1cc2c(F)c(Cl)ccc2[nH]1)(=O)OC	9559
+C(NC(C)CN)(=O)OC	18
+C(OC)(Cn1c(Cl)nc(c1)[N+](=O)[O-])CN	18
+O=S(=O)(C)OC(c1c(F)cnc(Br)c1)(CN=[N+]=[N-])C	7
+C1(C(OC(C1O)n2c3c(c(nc(N)n3)O)nc2)CN)O	18
+NCC1Cc2c(cccc2)C(N1)=O	18
+c1(ccccc1C(=O)NCCN=[N+]=[N-])I	93
+OP(O)(=O)CCN=[N+]=[N-]	228
+NCc1c(cccc1)I	18
+CCc1c(CN)cccn1	18
+CCCOc1c(O)cc(CN)nc1	18
+c1c(cc(Cl)c(CBr)c1)Br	4597
+n1cc(ccc1F)-c2c(cnc(NC(NCC)=O)c2)Br	9560
+c1cc(ccc1C(CCCCCl)c2nnc(Nc3ccc(-n4ncnc4C)c(c3)F)[nH]2)F	4792
+C1(=O)c2c(NC1=O)c(C)ccc2	1418
+C1(=O)C(=O)c2cc3c(cc2N1)CCC3	4834
+C(C)OC(C=1C(NC(=O)N(c2cc3c(N(C(S3)=O)C)cc2)C=1)=O)=O	9561
+N(C(=O)OCc1cc2c(OCO2)cc1)C3=NC(=O)N(CC(O)=O)C=C3	3
+O=S(=O)(N1CCN(CC1=O)C(=O)CN2C(=O)NC(C=C2)=NC(OCc3cc4OCOc4cc3)=O)c5nc6ccccc6s5	9562
+c1(c(OC)c(ccc1)CNCCCC)OC	162
+C(c1ccc(Cl)c2nc(Nc3ccc(cc3C)C(=O)N)n(c12)CCCO)(=O)OC	3023
+n1c(cc(c(Nc2nc3c(Cl)ccc(C(=O)OC)c3n2CCCO)c1)C)OC	3023
+C(CCCCCCCCCCN1C(=S)NN=N1)(=O)O	9563
+c1(ccccc1COc2cc([N+]([O-])=O)c(c(C)c2)NC(C)=O)C(OC)=O	22
+c1c(N)cc(NC(C=C(OC)C)=O)cc1	0
+c12C(=O)C(Nc1c(Cl)cc(c2)F)=O	4834
+C1(=O)c2c(NC1=O)c(c(Cl)cc2)C	1418
+N(c1cc(C)ccc1N)C(CCC)CC(OCC)=O	0
+c1cc(ccc1C2C3=C(C(NC(=O)O3)=O)CC2)F	9564
+c1cc(ccc1C#N)C2C=3OC(=O)NC(=O)C=3COC2	9565
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CN3OC(=O)NC3=O	4771
+N(C(c1cc(C(=O)O)ncn1)=O)Cc2cc(c(cc2)F)C	1
+NNC(C(NC(c1sccc1)=O)C)=O	743
+c1cc(ccc1CC(Nc2ccc(cc2Cl)N(Cc3ccc(Cl)s3)C)=O)Cl	26
+N(C)C(COc1cc(C#N)ccc1CNC(=O)c2cc([N+]([O-])=O)c(c(Cl)c2)F)=O	14
+N(C)C(COc1cc(C#N)ccc1CNC(=O)c2cc(N)c(c(Cl)c2)F)=O	0
+c1cc(ccc1NS(=O)(=O)C)CC(=O)N(C(COc2c(C)c(C)ccc2)C)C	10
+C(=O)(c1ccccc1Nc2ccc3c(c2)n(C4CCCCO4)nc3C(NC)=O)O	1
+c1cc(ccc1CNC(=O)C=2C(=O)c3c(c(c(CN(C)CC(O)c4c[nH]c5c4cccc5)s3)C)N(C)C=2)Cl	822
+O=S(=O)(c1sccc1)N(c2cc3c4c([nH]c3cc2)nccc4Cl)C	9566
+CN(c1nc(Cl)ncc1)c2cc3c[nH]nc3cc2	860
+CN(c1cc(C)ccc1)c2nc(N)nc(C#N)n2	3036
+O=S(=O)(NC1C2C(OC1)C(CO2)Nc3c(Cl)cnc(n3)Nc4cn(C)nc4)C	111
+O=C(C(=NOCC(OCC)=O)c1csc(N)n1)NC2C(N3C2SCC=C3C(=O)O)=O	999
+S(CC1=C(N2C(=O)C(NC(=O)C(=NOCC)c3csc(N)n3)C2SC1)C(=O)O)c4scnn4	999
+O=C(C(=NOCCCC)c1csc(N)n1)NC2C(=O)N3C2SCC(Cl)=C3C(=O)O	999
+C(OCCON=C(C(=O)NC1C(N2C1SCC=C2C(=O)O)=O)c3csc(N)n3)C	999
+C(ON=C(C(=O)NC1C(N2C1SCC=C2C(=O)O)=O)c3csc(N)n3)c4ccon4	999
+N(=C(C(=O)O)c1csc(NC=O)n1)OCc2ccon2	9567
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(=O)C(=NOCC(=O)OCC)c4nc(NC=O)sc4)=O	471
+O(C(=O)CCCCC(=O)N(CCCCCCC)CC)C	58
+N1c2cccc(Cl)c2N(CCCO)C1=O	9568
+N(C(=S)Nc1cnc(cc1C)OC)c2c(NCCCO)c(C(=O)OC)ccc2Cl	9569
+N(CCCO)c1c(Cl)cccc1N	0
+O(C)CCCn1c(NC(c2cc(ccc2)C#N)=O)nc3c1c(C(OC)=O)ccc3	9570
+N(CCCOC)c1c(C(=O)OC)cccc1N	0
+CCCCCCCCCCCC(=O)NCCN=[N+]=[N-]	9571
+n1(CCO)cnc2cccc(Br)c12	1449
+N(CCO)c1c(Br)cccc1N	0
+N(c1c(Cl)c(F)ccc1N)CCO	0
+O(CCN=[N+]=[N-])CCOCCOCCN	18
+NCc1c2c(ccc1)cccn2	18
+c1c(c(-c2nnsc2)ccc1)CN	18
+c1cncc(CNc2c3nc(ccc3ccc2)-c4cnccc4)c1	4835
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(=O)N(Cc3nc4CCOCc4c(O)n3)Cc5sccc5	10
+c1ncncc1-c2onc(-c3cnncc3)n2	9572
+c1c(C)c(cnc1)-c2c3c(ncc2)c(no3)N	9573
+c1cc(ccc1)N(c2c3n(ccn3)nc(c2)-c4cc5c(noc5cc4)N)Cc6ccc(cc6)OC	2134
+c1(cc(ccc1)F)-c2cc(nc(n2)C)C=3NOC(=O)N=3	1988
+CCc1cc(cnc1CC)-c2nc(no2)-c3cc(C)c(c(CC)c3)O	1828
+c1(-c2noc(n2)C)cc(N)c(C)cc1	9574
+c1c(-c2noc(-c3ccc(c(OCC)c3)OCC)n2)c4cc[nH]c4cc1	529
+c1cc(ccc1C2CN(CC(C2)c3onc(-c4cnccn4)n3)C(=O)N5CCC(CC5)O)CC	4536
+Nc1c(cc(Br)cn1)C(=O)N(OC)C	1012
+Nc1ccc(cc1C(N(OC)C)=O)F	280
+O1CCCn2c1c(C(=O)N(OC)C)cn2	9575
+O=S(=O)(N(C)C)n1ccc(C(N(OC)C)=O)n1	9576
+O=S(=O)(N(C)c1cccc2c1[nH]c(C=3SC(CC(N(OC)C)=O)CN=3)c2)c4cccs4	164
+O=S(=O)(N)c1cc(ccc1C)C(N(C)OC)=O	280
+c1ccccc1C(=O)N2CC(N(S(=O)(=O)c3ccc(s3)C(N(C)OC)=O)CC2)C	4836
+c1c2c(ccc1OC)cc(cn2)C(N(OC)C)=O	1012
+c12occc1cc(cc2)C(N(OC)C)=O	2276
+c1(c(Br)cccc1N2N=C(C(N(OC)C)=O)C(=O)C(=C2)OC)F	2101
+c1(c(F)c(ccc1)C(N(OC)C)=O)F	280
+c1(c(cc(CC(N(OC)C)=O)cc1)Cl)Cl	164
+c1(N)nc(ccc1C(N(OC)C)=O)Cl	1012
+c1(c(cccc1C)C(N(OC)C)=O)Cl	280
+c1(c2c(ccc1)ccnc2)C(N(OC)C)=O	9577
+c1(cc(C=CC(=O)N(OC)C)ccc1)Br	3223
+c1([N+]([O-])=O)ccc(c(F)c1)C(N(OC)C)=O	280
+c1(ccc(cc1Cl)C(C(N(C)OC)=O)CC=C)Cl	164
+c1(C)c(F)c(ccc1)C(N(OC)C)=O	280
+Clc1c(F)c(ccc1)C(N(OC)C)=O	280
+O(N(C)C(c1cccnc1F)=O)C	9578
+c12c3c(cccc3)ncc1nc(CCC)n2CCCC(=O)N(OC)C	978
+c12cc(C(N(OC)C)=O)[nH]c1cccc2Cl	1006
+c1c(Br)c(ccc1)OC(CCC)C(=O)N(C)OC	1080
+c1c(F)c(c(cc1)F)-c2c3c4CCC(C(N(C)OC)=O)Cc4[nH]c3c(C(=O)N)cc2	164
+c1c(c(cc(c1)C(N(OC)C)=O)C#N)OC	280
+c1c(c(ccc1C(N(OC)C)=O)-n2cc(nc2)C)OC	280
+c1c(cc(C)c(c1)C(N(OC)C)=O)Br	2276
+CN(OC)C(=O)c1cc2nccnc2cc1	280
+c1c(cnc(C(N(OC)C)=O)c1F)F	1006
+c1c2c(cccc2)c(c(C)c1)CC(N(OC)C)=O	164
+c1cc(C=CC(=O)N(OC)C)ncc1Br	9579
+c1cc(N2N=C(C(N(OC)C)=O)C(=O)C(=C2)OC)c(F)cc1I	2264
+c1cc(cc(c1)F)-n2c(c(c3ccccc23)C#N)C(N(C)OC)=O	1006
+c1cc(ccc1)-c2c(N)nc3ccc(cn23)C(N(C)OC)=O	1012
+c1cc(ccc1)CN(C)CC(N(OC)C)=O	164
+c1cc(ccc1)CN2CC(C(=O)N(C)OC)CCC2	164
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(N(OC)C)=O	4243
+C1CN(CCC1C(N(OC)C)=O)C(=O)OCc2ccccc2	164
+c1cc(ccc1-c2cc(-c3n(c(cc3C)C(=O)N(C)OC)C)ccc2OC)S(=O)(=O)N	1006
+c1cc(ccc1C(=O)C2CCC(CC2)C(N(OC)C)=O)Cl	164
+c1cc(ccc1C(=O)N(OC)C)Br	2276
+c1cc(ccc1F)C(N(OC)C)=O	2276
+c1cc(ccc1C(N2C(CC(C(=O)N(C)OC)C2)=O)C)OC	164
+c1cc(ccc1N2C(C(CCC(N(C)OC)=O)C2c3ccc(cc3)OCc4ccccc4)=O)F	164
+c1cc(ccc1F)N2C(NC=C2C(=O)N(OC)C)=S	9580
+c1cc(ccc1OC)CN2CCCC(C(=O)N(C)OC)C2	978
+c1ccc(c(C)c1)C(CC(N(OC)C)=O)c2cccc(c2)Br	164
+c1cc(ccc1CC(c2ccccc2)C(N(C)OC)=O)Cl	164
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COCC(N(OC)C)=O)c4	164
+c1cc(ccc1)CC(C(N(C)OC)=O)NC(OCC)=O	164
+c1ccccc1CN2CC(c3cc(c(cc3)Cl)Cl)C(C2)C(N(C)OC)=O	164
+c1ccccc1COc2cc(F)c(cc2)N3C=C(OC)C(C(C(N(C)OC)=O)=N3)=O	2264
+c1ccccc1COc2ccsc2C(N(C)OC)=O	4836
+c1ccccc1Cc2nnc(N3CCN(C(C)C3)c4cnc(cn4)C(N(OC)C)=O)c(c2C)C	3271
+c1cc(ccc1)Nc2cc(ccc2C(=O)N(OC)C)Cl	280
+C(N(C)OC)(=O)c1[nH]nc2ccccc12	4797
+n1ccnn1-c2c(cccc2)C(=O)N3CC(C(=O)N(OC)C)CCC3C	164
+N(c1c(C(N)=O)ncc(NC(C)C(N)=O)n1)c2cc3c(nc2)cccc3	1198
+c1cc(ccc1F)C(=O)C2CCN(CC2)CCCCN3C(c4c(NC3=S)cc([N+]([O-])=O)cc4)=O	9581
+n1(c2c(Cl)c(F)ccc2nc1)CCO	1449
+c1c(I)cc(c(Nc2c(F)c3nnsc3cc2C(=O)OC)c1)F	235
+C(c1cc(Cl)c(nc1-c2cc(F)ccc2)N)(=O)OC	9582
+Nc1c(C)cccc1C(=O)C	106
+N(CCc1cc2c(OCO2)cc1)c3c4c(nc(-n5ccnc5C)n3)sc(C)c4C	937
+N1(c2cc(C)ccc2NC1=O)C(CCC)CC(OCC)=O	1019
+c1cc(ccc1C#N)C(NNC(=O)C(Nc2cc(c(C#N)cc2)Cl)C(C)O)=O	708
+C(CN)NC(=S)Nc1c(c2c(ocn2)cc1)C	1167
+c1cc(NC(N2Cc3c(cccc3)CC2CCO)=S)c4c(cnc(c4)COC)c1	1366
+N(c1ccc(C(O)=O)nc1)C(=O)C2CCCN(c3nc(c4ncsc4n3)Nc5ccc(OC)c(c5)OC)C2	1
+c1cc2n3c(C)nnc3c(Cl)nc2cc1	2958
+C1(N(Cc2c(F)cccc2)C(=O)C=C(Cl)N1CCCC)=O	1819
+N1(C(=O)C(c2cc(O)ccc2)(NC1=S)c3cc(c(cc3)F)Br)C	5
+O=S(=O)(Oc1cccc(C2(NC(=S)N(C2=O)C)c3cc(c(cc3)F)Br)c1)C	444
+n1n2CCNCc2cc1NC=3C(N(C=C(Br)C=3)C)=O	526
+N1(C(=O)C)Cc2n(nc(N)c2)CC1	161
+N1(C(=O)C)c2cc(C)cc(C)c2C(C1)CCO	59
+N1(C(=O)C=C(C=C1C)OCc2ccc(cc2F)F)c3c(C)ccc(C(=O)O)c3	1
+c1c(ccc(COC2=C(C(N(C(=C2)C)c3c(C)cnc(c3)C(=O)OC)=O)Cl)c1F)F	4837
+C1(c2cc(F)ccc2)=CN(C(=O)C=C1)CCO	2243
+c1ccccc1COC(Nc2ccc(N3CCN(C(=O)C3)CCOC)c(F)c2)=O	90
+N1(C(=O)CN(c2ccc(N)cc2F)CC1)CCOC	0
+C=1(C(=O)N(C(=O)N(C=1C)CCCC)C)[N+]([O-])=O	2429
+C=C(C)CN1C(=O)N(C(C(N)=C1N)=O)C	3088
+C=C(C)CN1C(N)=C(N=O)C(=O)N(C1=O)C	863
+C(CN1C(c2c(c(sc2N(C)C1=O)-c3cc(c(cc3)Cl)Cl)C)=O)CO	268
+c1cc(ccc1-c2c(cc(c(OCC)c2)C(OC)=O)Br)F	2606
+c1cc(ccc1F)-c2c(cc(c(O)c2F)C=O)Br	2606
+N1(C(C(OC)=O)Cc2ccccc12)c3nnc(cc3)O	3028
+c1cc(ccc1)CN2C(C=CC(N3c4ccccc4CC3C(=O)OC)=N2)=O	9583
+C(C(=O)O)N1C(C(=C(O)C=C1C)[N+](=O)[O-])=O	9584
+C(C)(c1[nH]c2ccccc2n1)N3C(NC(=O)C(=C3N)N)=S	3088
+c1c(OC)ccc(CN2C(=O)C3C(C2)(C(O)=O)C3)c1OC	2154
+C1C(N(C(C=O)C1)CCCCCl)=O	24
+N1(C(Nc2c(ccc(O)c2)CC1)=O)C	5
+c1cc(ccc1OC)NCCN2C=Cc3ccc(C(OC)=O)cc3C2=O	291
+N1(C)C=C(C=C(C1=O)Nc2nn3CCOCc3c2)c4ccnc(c4CO)N5C(c6n(c7CCCCc7c6)CC5)=O	59
+N1(C)CCN(c2c(cc3nc(-c4c(N)cn(C5CCCCO5)n4)[nH]c3c2)F)CCC1	209
+C1N(c2cc(N)c(cc2F)N)CCCN(C1)C	0
+C1CNCCc2ccc(c3c2n1c4CCCc34)F	2217
+c1c(cc(c(NC2=CC(=O)N(C)C=C2C(=O)O)c1)F)Br	9585
+c1(cnc(F)c(c1)C)C2=CN(CC)C(=O)c3cc(OC)c(cc23)OC	3894
+N1(C=CC=C(C1=O)C(=O)NC(c2sccc2)CC(O)=O)Cc3ccc(F)c(F)c3	4748
+N1(CC(F)CC1C(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(=O)Cn4nc(c5c4CCCC5)C(O)=O	6
+OC(CNC)c1ccco1	2875
+c1cc(ccc1F)Nc2c3c(cc(OC)c(OCCCN4CC5C(C(OCC5)=O)C4)c3)ncn2	72
+C=1CN(c2c(cccc2C=1C)CSc3nc4ccccc4[nH]3)C	3089
+c1cccc2CCc3ccncc3C(NC(NNc4c(cc(cn4)C(=O)NC5C(=O)N(CC5)C)Cl)=S)c12	4784
+C1CC(CCN1C)NCCOC	15
+C(CCCN1c2ccccc2C(NC1=O)=O)O	21
+O=S(=O)(N)c1cc(c(cc1C(C)C)C#N)C(C)C	3057
+C1CC(C(c2cc3c(cc2)n(cc3Cc4c(cc(cc4)C(=O)OC)OC)C)O)C(=O)N1C	9586
+c1(cc2C(C3=C(Oc2cc1)CCCC3)=O)C#N	3057
+N1(CCCC1=O)CCCNC(CCC(=O)O)=O	4
+s1c2c(nccc2Cl)cc1-c3ccc(CCN4CCCC4=O)cn3	4838
+N1(CCCC1=O)CCn2ncc(N)c2	209
+N1(CCCC1=O)c2cccnc2N	161
+N1(CCN(CCC(=O)O)C(=O)C1C)C(C=Cc2cc(Cl)c(F)cc2)=O	4052
+c1cc(ccc1)Oc2nnc(N3CCN(C(C)C3)c4ncc(nc4)C(=O)OC)c(C)c2C	1119
+c12c(ccn1CC)cc(cc2)N3C(N(c4cccnc4)CC3)=O	2626
+C(CN1C(CN(CC1)CCc2ccc3c(COC3=O)c2)=O)c4cc5c(cc4)C(OC5)=O	1508
+c12c(cccc1)n(c(N3CCN(CCC3)C)n2)CCOCC	2071
+N1(C)CCN(c2cc(N)c([N+]([O-])=O)cc2F)CCC1	34
+c1cc(ccc1CN2CCCN(C)CC2)C(Nc3cc(ccc3C)Nc4nc(-c5cccnc5)ccn4)=O	171
+N1(CCOC(C1)C(Nc2c3c[nH]nc3cc(-c4c5cc[nH]c5ccc4)c2)=O)C(=O)C	33
+O=S(=O)(C)NCC(Nc1c(Cl)cnc(Nc2cc3c(cc2)CCN(CC3)CCOC)n1)C	55
+N1(Cc2c(C1=O)ccc(N)c2)CC	0
+C(c1cccc(F)c1)C(CNC)N2Cc3c(ccc(-c4n(C)ncc4Cl)c3)C2=O	110
+N1(N=C(C(=O)c2cccnc12)C(=O)O)c3cccc(c3)Br	3
+c12C(NC(=O)N(c1ncn2CC(CO)O)C)=O	871
+c1cc(ccc1OCc2cc3c(nc2)N(c4nc(Cl)ccc4N(C)C3=O)CC)O	751
+CCN1c2nc(F)ccc2N(C)C(c3c1ncc(c3)CCOc4ccnc5ccccc45)=O	1175
+s1cc2c(C(SC)=Nc3ccccc3N2C)c1	9587
+c12c(F)cccc1CC(=O)N2C	1562
+c1c(cc(Cl)c(c1)CC(c2cc3N(C(COc3cc2)=O)C)=O)Br	3090
+N1(c2c(C(Nc3ccccc13)=S)csc2)C	9588
+N1(c2cc(cc(c2)-n3nnnc3)C(=O)O)C(C=C(C=C1)C)=O	1
+N1(c2cc3c(cccc3)nc2)C(NC(=O)C(N)=C1N)=S	721
+C1(c2c(N(C(N1)=S)c3cc4c(cccc4)nc3)[nH]cn2)=O	2725
+C1(=O)c2ccccc2C(=O)N1CC3N(c4c(c(c(C)cc4)COc5c6nc(C)ccc6ccc5)C)CCC3	332
+N1(c2ccc(F)cc2F)c3c(C#C)c(F)c(cc3C(C(C(=O)O)=C1)=O)F	108
+C(N1c2ccccc2N=C(C(O)=O)C1=O)COC=O	9589
+CCN1c2c(NC(c3cc(CCOc4ccnc5ccccc45)cnc13)=O)c(cc(Cl)n2)C	1175
+N1(c2ncc(CCOc3cccc4ncccc34)cc2C(Nc5c1nc(cc5C)Cl)=O)CC	1520
+c1cc(ccc1-c2oc(c(C(OCC)=O)c2)C)OCCc3cc4C(=O)N(C)c5cccnc5N(c4nc3)CC	20
+c12c3CC(C)N1C=C(C(=O)O)C(=O)c2c(c(c3F)F)[N+](=O)[O-]	31
+COc1cc2c(C=3N(C(NC(=Nc4cc([N+]([O-])=O)ccc4)C=3)=O)CC2)cc1	9590
+c1c(N)cc(C2=NN3C(=NN(C)C3=O)C=C2C)cc1	0
+c1cc(ccc1CN2C(=O)N(c3nc(C)c(C(OCC)=O)s3)C=N2)F	1712
+N1=NN(c2c(Cl)ccc(c2Cl)C(=O)O)C(=O)N1C	1
+N1=NN(c2c(CO)c(C)ccc2)C(=O)N1C	1555
+c1c(c(c(OC)cc1)COc2n(nc(-c3c(cccc3)Cl)c2)C)N4N=NN(C4=O)C	9591
+c1cc(c(C)cc1Br)OCc2c(cccc2N3N=NN(C)C3=O)OC	22
+c1cc(ccc1)-n2nc(cc2)OCc3c(OCC)cccc3N4N=NN(C)C4=O	9592
+C1=2COc3cc(ccc3N1C(C)C(NN=2)=O)-c4ccccc4F	11
+N1C(=O)C(C)N2c3c(SCC2=N1)ccc(N)c3	0
+N1C(=O)C(CCCC1)Nc2cc(c(cc2)C(=O)N)Nc3cc(C)ns3	216
+c1([nH]cc2c1CCNC2=O)C=C3c4c(NC3=O)cccc4CCO	292
+c1c2c(SCCNC2)ccc1	162
+c1(cnc2ccc(cc2c1F)Sc3nnc4c(cc(cn34)-c5cnn(C)c5)F)-c6cnn(c6)C	4839
+O1CC2N(c3cnc4ccc(Sc5n6c(c(cc(-c7cnn(C)c7)c6)F)nn5)cc4c13)CCC2	4839
+c1c(cnc2ccccc12)CSc3nc(cc(n3)C)O	9593
+S1C(NC(C1=Cc2cc3c(cc2)nc(o3)C)=O)=S	1149
+N1C(C)(C(COCC1=N)F)c2c(F)ccc(N)c2	0
+O=S(=O)(C)N1CC(C)NCC1	112
+N1CCN(Cc2cc(ccc2)Br)CC1C	48
+C1CN(CC(C)N1)c2nnc(c(C)c2C)Cl	212
+C1CN(CC(C)N1)c2nccnc2Cl	317
+c1cc(ccc1C(OC)=O)N2CCNC(C)C2	34
+c1cc(ccc1N2CCNC(C)C2)C=O	34
+CC(C)c1nc(N2CCNC(C)C2)c(C#N)c(-c3ccccc3)c1	43
+c1ccccc1Cc2c3c(cccc3)c(nn2)N4CC(NCC4)C	212
+c1(C)cc(Br)cnc1N2CC(C)NCC2	323
+C1CN(c2ccc3c(n2)cccc3)CC(C)N1	286
+C12(NC(C3CC(CC3C(N(CCCCC=CC1C2)C)=O)OCOCC)=O)C(O)=O	3
+Cc1n-2c(CN=C(c3c([N+]([O-])=O)cccc3)c4ccsc-24)nn1	9594
+C(CN(C)CCCCCC1C2C(NC(N2)=O)CS1)CCCC(=O)OC	15
+C1(c2c(CN1)cc(F)c(F)c2)=O	4840
+c1ccccc1C(=O)SCCC(N2C(SCC2C(=O)O)c3ccccc3O)=O	9595
+Nc1cccc2OCC(Nc12)(c3ncccc3)C(=O)N	0
+c12CCC(OC)c1ncnc2O	3597
+C1(Nc2c(C(=O)N)cnn3cc(-c4cnc(cc4)CNC(=O)COC)cc23)CN(c5sc(cn5)C#N)CC1CC	2643
+O=C1c2cc(c(cc2N(C=C1C(O)=O)CC)N3CCNC(COCCCCCCCCCCCC)C3)F	34
+n1cccnc1CNC(=O)c2cnc(nc2NCc3ccc(c(c3)Cl)OC)N4CCC5(C4)CN(CCC5)C	9596
+C1CC2(CN(CC)CC2)CN1c3cc(c(c([N+]([O-])=O)c3)N)C	560
+c1cc(ccc1CCN2CC3C(C(CC3)NC(=O)Nc4cc(cc(CC)c4)-c5n(nnn5)C)C2)F	236
+C1N(C(=O)CC)CC(c2c(OC)cccc2)C1	2781
+c1(ccc(cc1Br)NC2C(NCCCC2)=O)C#N	2002
+Cc1cc(n[nH]1)Nc2c(cnc(Nc3c(C)cc(c(c3)C)C4NCCCC4)n2)Cl	55
+c12c(CCOC1CCN3CCN(CC3C)c4cccc5cc(C#N)ccc45)cc(-c6cnccc6)cc2	123
+c1ccccc1COC(N2C(C)CN(Cc3cc(Br)ccc3)CC2)=O	66
+c1nc(c2n1-c3c(c(ccc3)CCN4CCN(c5c6c(cc(c5)F)nc(C)cc6)CC4C)OC2)C(=O)OCC	61
+C1CC12CNCCN(C2)c3c(cnn3C)[N+]([O-])=O	959
+c1cc(ccc1Br)OC(N2CCc3c(O)nc(nc3C2)C)=O	66
+c1c(C)ccc(N2CCc3c(c(ncn3)O)C2)n1	43
+c1ccccc1C(=O)N2CCc3nnc(Cl)cc3C2	115
+c12ccc(N)cc1CCN(C2)C(=O)COc3cccnc3	10
+c1(C(=O)c2cc(Cl)nc(n2)C)cc(C)c3NC(Oc3c1)=O	9597
+CCOC=C1c2c(NC1=O)ncc(Br)c2	4841
+c1cc(ccc1)-c2cnc3NC(=O)Cc3c2	89
+n1c2CCc3c(c(F)cc(Br)c3)-n2c(C)n1	1447
+c12c(cc(Br)c(Cl)c1)CCC(=S)N2	199
+c1c(C(Nc2cccc(Br)c2C)=O)c(N)c(Cl)cc1	1768
+n1c2CCNc3c(c(F)ccc3)-n2c(C)n1	1447
+S(Cc1nccc2OCOc12)c3[nH]c4cc(C(=O)C)c(C)cc4n3	602
+S(c1[nH]c2cc(-n3ccnc3)c(cc2n1)F)Cc4cc(OC)ccn4	602
+N1c2cc(c(OC)cc2CCC1=O)CC=O	1156
+OC1c2ccccc2NC(CCC1)=O	74
+NC(N)=Nc1nc(-c2cccc(CSc3[nH]c4ccccc4n3)n2)cs1	602
+O(C)CCCCOc1cc(CSc2nc3ccccc3[nH]2)ncc1	602
+C1COC(O1)(CCC)CCOc2ccnc(CSc3nc4ccccc4[nH]3)c2C	3944
+c1(nccc(c1C)SCc2ccco2)CSc3nc4ccccc4[nH]3	602
+c12N(C3CN(CCC3C)c4ccnc(Cl)n4)C(Nc1cnc5[nH]ccc25)=O	54
+O=S(=O)(C)c1ccc(c(C)c1OCCOC)C(C2C=NN(C2=O)C)=O	1769
+O=S(=O)(c1c(NCC=C)c(c(cc1)C(C2C=NN(C)C2=O)=O)C)C	1769
+O=S(=O)(C)c1ccc(c(c1-c2ccon2)C)C(=O)C3C(=O)N(N=C3)CC	4842
+O=S(=O)(C)c1ccc(C(C2C=NN(C2=O)CC)=O)c(C)c1OCCOC	1769
+O=S(=O)(c1ccc(c(C)c1C=2CCON=2)C(C3C(=O)N(N=C3)CC)=O)C	4842
+O=S1(=O)c2c(cc(c(C)c2C(=O)C(C)(C)C1)C(C3C=NN(C3=O)CC)=O)C	1769
+O=S1(=O)c2c(C)cc(c(C)c2C(CC1)C)C(=O)C3C=NN(CC)C3=O	1769
+N1=NN(c2c(C)c([N+]([O-])=O)ccc2)C(=O)N1C	3091
+N1=NN(c2cccc(I)c2C)C(=O)N1C	3091
+c1cc(ccc1C=CC=2N(C)C(=O)c3c(cccc3)N=2)C	2066
+c1(noc(n1)Cc2ccccc2C)C(=O)OCC	3540
+n1nc(C2CCCO2)nc(O)c1C(NC(C)=O)CC	9598
+Cc1nc(CCCC)nc(c1CC)O	3492
+c1cc(ccc1CC(F)F)C2CN(CC(c3nc(CCOC)no3)C2)C(C)=O	1166
+c1cc(ccc1C2CN(C(N3CCSCC3)=O)CC(c4nc(CCOCC)no4)C2)CC	1166
+c1cc(ccc1C(N2c3c(cccc3)-c4c(cnc(C)n4)CC2)=O)[N+]([O-])=O	9599
+c1ccccc1CN2Cc3nc(C)nc(O)c3CC2	3490
+c1ccccc1CN2CC3CC(C2)c4nc(C)ncc34	9600
+c1cc(ccc1-c2ccccc2C#N)Cc3c(nc(nc3O)CC)CCC	3945
+c1cc(ccc1C=Cc2nnc([nH]2)N)Cl	9601
+n1c(c(nc(-c2cnc(cc2)Cl)n1)O)C(C)NC(C)=O	9602
+c1(C)nc(on1)-c2cc(OCOC)c(C)cc2	4446
+c1ccccc1SCc2onc(n2)C	9603
+O=S(=O)(c1cnc(cc1)OCCC2C(C3CCN(CC3)c4onc(n4)COC)C2)C	880
+c1cc(ccc1Cl)C2NC(=NC2CC3CCCC3)c4ccc(OC)cc4OCC	9604
+C(=N)(NCCCCN)N	9605
+c1cc(ccc1)COC(=O)N2CCc3c(nc(nc3O)SC)C2	9606
+c1(-c2nc(on2)-c3cccc(Br)c3)cnccc1	9607
+N(c1ccc2c(CCCN2CCCN(CCO)C)c1)C(c3sccc3)=N	1139
+O=C(OC)c1c(cccc1CNC(=O)N)C(OC)=O	2277
+OCC(CO)(C(=O)O)c1cc(-c2[nH]c3cc(ccc3n2)C(=N)N)c(c(-c4c(O)ccc(CNC(=O)N)c4)c1)O	2277
+C(N)(Nc1cccc(Cc2n(CC)ccc2)c1)=O	2278
+C(N)(Nc1cc(I)ccc1)=O	2278
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5cc(CNC(N)=O)ccc5-c4n3)c1F)F	2277
+Ic1c(NC(=O)N)cccc1	2278
+c1cc(ccc1C(C)C)C2=NC(=O)N(Cc3cccc([N+](=O)[O-])c3)c4ccc(cc24)OCC#C	9608
+Oc1ccccc1NC(=O)N	2278
+c1cc(ccc1)C(NC(N)=O)COC(F)F	2277
+CC1(C)C(OC(C)(C)O1)c2nsc(n2)Nc3c(Oc4n(ncc4)CC)cc(Sc5ccccn5)cn3	9609
+c1c(ccc2c(ncnc12)O)F	9610
+c1n(c2nc(ccc2n1)Br)-c3ccnc(Cl)c3	9611
+c12c(ncnc1cc(OCCOC)c(OC)c2)O	3529
+c1(ncnc2COC(C)c12)O	9612
+c1([nH]c2c(cccc2)n1)CN3c4c(C(NC3=S)=O)nc[nH]4	3337
+c1cc(ccc1)CN2CCc3c(CC2)ncnc3O	9613
+c1ccccc1Nc2c(c3c(cc2C(=O)OC)[nH]cn3)Cl	9614
+c1cc(ccc1-c2ccccc2C#N)Cc3c(ncnc3CCC)O	9615
+C1CC1c2[nH]nc(c2)-n3c4c(cc(F)c(c4F)NC(C)c5ccc(cc5)F)nc3	9616
+C1CC1c2n[nH]c(-n3cnc4cnc(cc34)NC(c5ccc(cc5)F)C)c2	9617
+c1ccccc1CN2Cc3ncnc(O)c3CC2	9618
+Nc1c(Br)csc1C(=O)NC	227
+c1cc(ccc1C=2N(C)C(=O)c3ncc(Br)cc3N=2)OCCCN4CCCC(C4)C	9619
+c1(N)c(NC)ccc([N+]([O-])=O)c1	60
+Nc1c([N+]([O-])=O)cc(-c2ccc(c(NC)c2)[N+]([O-])=O)cc1	60
+Nc1c(cc(C(NC)=O)cc1)OC	14
+Nc1c(cnc(NC)n1)[N+](=O)[O-]	96
+Nc1ncc(Br)nc1C(=O)NC	2476
+Nc1ncc(CCC(=O)NC)nc1Br	9
+Nc1sc(nn1)-c2ccnc(NC)c2	70
+c1(C(=O)NC)c2ccccc2n(C)c1	1650
+C1CC(CCN1CCP(OCC)(OCC)=O)NC	87
+O(c1c(C(=O)NC)cc(Br)cn1)C	56
+c1nc(ncc1C=2N(C)C(c3ccnc(OC)c3N=2)=O)OC4CCN(CC4)C5CCC5	9620
+O(c1cc2cccnc2cc1)c3cc(NC)ncn3	40
+O(c1ccn2c(c1)nc(C)c2C(=O)NC)C	312
+O1CCC(c2c1cccn2)NC	2049
+C1CC2(OCCO2)CCC1NC	87
+C(=O)(c1cc(c(cc1F)F)N)NC	14
+c1(c(cccc1)C(=O)NC)I	14
+c1(cc(c(Cl)cc1)Cl)Oc2ccc(cc2CNC)Br	42
+c1[nH]c2c(ccc(C)c2)c1CNC	249
+CNCc1n(c2c(cccc2C)c1)C	294
+O=Cc1cc2cc(OC)ccc2nc1NC	554
+s1c(C(=O)OC)ccc1CNC	1466
+CNCc1ccc2c(n1)NC(=O)CS2	294
+c1c(c2[nH]ccc2cc1)CNC	249
+CNCc1ncccc1	294
+O=S(=O)(C)N(C)c1c(cc2c(C(NC)=O)c(oc2c1)C3=CCCC3)Br	1036
+c1c(CNC)ncnc1Oc2ccc3[nH]c(C)cc3c2F	9621
+O=S(=O)(C)c1c(ccc(Br)c1)CNC	370
+O=S(=O)(C)c1cc2c(CCC(O2)CNC)cc1	463
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c([nH]c(C=4SC(CC(NC)=O)CN=4)c3)c(c2)C	9
+O=S(=O)(C)c1cc(ccn1)C(NC(c2cncc3c2cnn3-c4ccc(cc4)F)=O)CC(=O)NC	248
+O=S(=O)(CCNC)c1cc2c(cc1)nc(s2)NC(=O)NC(=O)c3ccccc3Cl	4353
+O=S(=O)(NC)CCCCCl	111
+O=S(=O)(c1cc(C#N)cc([N+](=O)[O-])c1)NC	71
+O=S(=O)(NC)c1ccc(O)c(C(=O)O)c1	71
+O=S(=O)(c1ccc(c(C)c1)Br)NC	71
+O=S(=O)(NC)c1ccc2c(c1)c3ccccc3s2	71
+O=S(=O)(c1c(C)nc(NC)s1)N	4843
+CCOC(C1C(C1)CNC)=O	285
+CNCCC#Cc1cccc(CF)n1	9622
+Fc1cc(cc(F)c1)OCCNC	285
+O=S(=O)(Oc1ccc2c(OC(CNC)CO2)c1)C	463
+O=S(=O)(c1c(F)ccc([N+]([O-])=O)c1)NC	71
+O=S(=O)(c1c(OC)ccc(Br)c1)Nc2cc(C(NC)=O)cnc2	1650
+c1cc(ccc1)-c2cc(CNC)cn2S(=O)(=O)c3cccc(c3)C(=O)OC	249
+O=S(=O)(c1ccc(F)c([N+](=O)[O-])c1)NC	71
+c1cc(ccc1S(=O)(=O)NC)Br	71
+O=S(=O)(c1ccc(cc1)N)Nc2cc(Br)nc(NC)c2	340
+O=S(=O)(NC)c1cccc(Br)c1	71
+O=S(=O)(n1cc(CNC)c2cnc(Br)cc12)c3cc(F)ccc3	249
+O=S(=O)(n1cc(CNC)cc1Br)c2ccccc2	249
+O=S(=O)(c1cnccc1)n2cc(CNC)c3ccc(C(OC)=O)cc23	249
+BrC=1C(N(C)c2nc(ncc2C=1)NC)=O	435
+O=S(=O)(n1cc(c(F)c1-c2ccccc2)CNC)c3cnccc3	249
+O=S(=O)(c1ccc(cc1)C)n2c3c(c(c(CCNC)cn3)Cl)cc2	110
+O=S1(=O)N(CCCNC)c2ccccc2N1c3ccc(cc3C)F	132
+OC(CNC)c1cccn1C	284
+CNC(C(=NOC)c1ccccc1O)=O	9623
+S(c1c(C(=O)NC)cc(cc1)C)c2csc3ccccc23	14
+Brc1ncc(c(NC)c1)[N+](=O)[O-]	9624
+[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12	56
+n1n2cc(-c3cc(ccc3)C#N)nc2ccc1NC	232
+OCc1ccc(C)c(NC)n1	70
+Clc1cc(C)nc(NC)c1[N+](=O)[O-]	70
+N(C)Cc1c[nH]c(-c2c(cccc2)F)c1	249
+c1ccc(cc1OCSC)C=NC	853
+C1N(C(c2c1cc(Br)cn2)=O)C	9625
+c1(Cl)cccc(Cl)c1S(=O)(=O)NC	71
+c1(Cl)ccnc(CNC)c1	1279
+c1cc(c(nc1)NC)[N+](=O)[O-]	70
+c1c(NC)c([N+]([O-])=O)c(F)cc1	60
+c1(N2C(CC(C2)C(=O)NC)=O)ccc(c(C)c1)OCc3cccc(F)c3	248
+c1([N+]([O-])=O)cccc(-c2ccc(C)cc2C)c1C(NC)=O	513
+c1c(F)c(NC)nc(c1F)F	182
+c1(c(N)c(C(NC)=O)ccc1)F	14
+c1(c(C(OCC)=O)cnc(Cl)c1[N+](=O)[O-])NC	105
+c1(c2cc([N+]([O-])=O)ccc2[nH]c1)C=3CCC(CC=3)NC	4462
+CNC(=O)c1c[nH]c(c1Cl)C(=O)OC	56
+c1(cc(C#N)c(Cl)cc1NC)[N+]([O-])=O	60
+c1(cc(ccc1Br)OCCCNC)CC	132
+c1cc(c(cc1C(C(C)NC)CC=C)Cl)Cl	87
+c1cc(C(NC)=O)c(nc1Cl)NCC	56
+Nc1cccc2c1ccc(C(NC)=O)n2	658
+c1(ccsc1C)C(=O)NC	2582
+c1(c(C(OCC)=O)cnc(Cl)c1C)NC	105
+CCOC(c1c(NC)cc(Cl)nc1)=O	105
+n1c(-c2cccnc2Cl)ncnc1NC	387
+[nH]1c(nc2c(F)cccc12)NC	3687
+C(C(NC)=O)Cc1c([nH]c2CCCCCc12)C=C3c4c(NC3=O)ccc(Br)c4	9
+c1(c(NC(=O)c2n(-c3c(Cl)cccn3)nc(Cl)c2)c(C(=O)NC)cc(c1)C#N)Cl	1302
+c1(NC)nc(-c2cnccc2)nc3c(C)cc(cc13)Br	40
+c1(c(NC(c2cc(nn2-c3c(Cl)cccc3)Br)=O)c(cc(c1)Cl)Cl)C(=O)NC	1302
+c12c3c(cccc3)ncc1nc(CCC)n2CCC(NC)=O	271
+c12cc(-c3cc(ccc3)[N+]([O-])=O)ccc1c(cn2-c4ncnc(NC)c4)Br	40
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(cc4C)C(NC)=O	93
+N=1c2c(C(=O)N(C=1C)C)cccc2	3434
+c12cnc(NC)cc1nc(C)c(-c3c(F)cc(c(c3)N)F)c2	2791
+C(COc1cc(Br)c(F)cc1)(CNC)O	122
+c1c(cc(CO)c(c1)C(NC)=O)Br	513
+c1c(Br)ccc2c1ccc(C(NC)=O)c2	14
+N(C)CC(NCCc1cc2c(OCO2)cc1)=O	402
+Clc1cc2ncc(n2cc1)-c3cc(Cl)nc(NC)c3	70
+c1c(I)cc(c(Nc2c(ncc3cncn23)C(NC)=O)c1)F	2476
+c1(cc(cc([N+]([O-])=O)c1)S(=O)(=O)NC)[N+]([O-])=O	71
+c1c([N+]([O-])=O)c(NC)cc(c1)O	60
+c1c(cc(C)c(c1)C(NC)=O)Br	14
+c1c(cc(c(F)c1)CNC)Br	370
+c1c(cc(c(c1)[N+]([O-])=O)NC)Br	60
+c1c(cc(cc1Br)C(NC)=O)I	14
+N(C)C(CC1N(C(=O)c2cc3NC(=O)COc3cc2)c4ccc(cc4OC1)Br)=O	9
+c1c(cc2sc(NC)nc2c1)Br	2564
+c1c(ccc(Oc2cc(C(NC)=O)ccc2[N+]([O-])=O)c1F)F	93
+c1c([N+]([O-])=O)cccc1C(NC)=O	93
+c1c(n(-c2cc(NC)ncn2)nc1C)N	40
+c1(Sc2ccc(C)cn2)cc(nn1-c3c(Cl)cccc3)CNC	294
+c1c2c([nH]cc2CCC(NC)=O)ccc1	9
+N(C)C(Nc1ccc(Oc2c3cc(C(=O)NC)c(cc3ncc2)OC)cc1Cl)=O	14
+c1cc(CNC)cc([N+]([O-])=O)c1OC	370
+c1cc(CCNC)c(cc1F)[N+]([O-])=O	132
+c1cc(CN2C(C=3C(=C(N(CCCCNC)C(C=3O)=O)C(=O)OC)CC2)=O)cc(Cl)c1F	284
+c1cc([N+]([O-])=O)c(NC)nc1Cl	70
+c1(cc(ccc1[N+]([O-])=O)F)C(NC)=O	14
+CNC(C(c1c(cccc1)C)=O)=O	9626
+C(C(COc1cccc(Nc2ncnc(Nc3cccc(C)c3)c2)c1)O)NC	122
+c1ccccc1-c2c(nc(SC)nc2)NC	40
+c1ccccc1-c2cc(c(nc2-c3ccc(cc3)CN4CCC(CC4)N5C(=O)Nc6c5cccc6)NC)C#N	70
+c1cc(ccc1)-c2n3nc(C(=O)NC)ccc3nc2-c4ccc(cc4)C5(CCC5)N	81
+c1ccccc1C(n2ccc3ccccc23)CCNC	284
+c1ccccc1C2CC2C=NC	9627
+c1cc(ccc1)CC(C(NC)=O)CCn2c3cccc(C)c3nc2COc4ccc(cc4)Cl	271
+c1cc(ccc1)COC(=O)NC(CCCCCC(NC)=O)c2oc(cn2)-c3cc4c(cccc4)nc3OC	9
+c1cc(ccc1)COC(c2c([nH]c3ccc(CCNC)cc23)C)=O	285
+c1cc(ccc1)COC(N2CCC(CC2)n3ccc4ccc(cc34)C(=O)NC)=O	14
+c1cc(ccc1)N2c3ccccc3CC(CCCNC)C2=O	284
+c1cc(ccc1)Oc2ccc(CNC(c3ccc(nc3N)NC)=O)s2	70
+c1cc(ccc1)S(=O)(=O)n2c(c(c(c2)CNC)C(C)C)Br	249
+c1cc(ccc1-c2oc3c(cc(c(NS(=O)(=O)C)c3)Br)c2C(=O)NC)F	1036
+c1cc(ccc1-c2oc3cc(c(Br)cc3c2C(=O)NC)N(C)S(=O)(=O)c4ccccc4)F	1036
+c1cc(ccc1-c2oc3nc(Cl)c(cc3c2C(NC)=O)Br)F	9628
+c1cc(ccc1Cl)-c2oc3cc(NS(=O)(=O)C)c(C4CC4)cc3c2C(NC)=O	1036
+c1cc(ccc1-c2c(n3cc(ccc3n2)Br)C(NC)=O)F	312
+c1cc(ccc1-c2oc3c(cc(Br)c(N4CCCC4=O)c3)c2C(=O)NC)F	1036
+c1cc(ccc1-n2nnc3cnc(nc23)NC)OC	96
+c1cc(ccc1CCNC(OCC(=O)NC)=O)Br	9629
+c1cc(ccc1C(=C(CC)c2ccc3occc3c2)c4ccc(cc4)O)OCCNC	284
+c1cc(ccc1-c2[nH]c(-c3ccccn3)c(-c4ccc5c(c4)OCO5)n2)C(NC)=O	93
+c1cc(ccc1[N+](=O)[O-])C(NC)=O	93
+c1cc(ccc1CNC)C(=O)c2ccccc2	370
+c1cc(ccc1C(O)CNC)NC(=O)C	132
+c1cc(ccc1Br)C(CC(NC)=O)c2ccc(cc2)Cl	9
+c1cc(ccc1C(Nc2ccc(cc2)CC(N(CC(COc3ccccc3)O)Cc4ccccc4)CO)=O)C(NC)=O	14
+c1cc(ccc1C(OCC)=O)-c2cc(c(cc2)OCCCNC)-c3ccc4C(C)(C)CCC(C)(C)c4c3	1918
+c1cc(ccc1C)-c2c(cccc2)C(Nc3ccc(cc3)C(=O)N(C)c4ccccc4CNC)=O	42
+c1cc(ccc1C2(O)CN(CC2)CCCOc3c(cc(Cl)c(c3)OC)C(=O)NC)Cl	513
+c1cc(ccc1CCCC(NC)=O)N	248
+c1cc(ccc1CCCCCCCCCCCC)S(=O)(=O)Nc2sc(nn2)CCCCCNC	132
+c1cc(ccc1CCNC)-n2c3c(c(C)cc(C)n3)nc2CC	284
+c1cc(ccc1CCNC)-n2c(CC)nc3c2cc(c(C(N)=O)c3)Cl	285
+c1cc(ccc1CCNC)C	463
+c1cc(ccc1CNC)-c2cc(NC(=O)C3(CC3)c4cc5OCOc5cc4)ccc2C	4339
+c1cc(ccc1OC)COc2ccc(CNC)cc2Br	42
+c1cc(ccc1COc2cc(O)c(cc2Cl)C(=O)NC)OC	513
+c1cc(ccc1-n2c(c(Br)nc2CC(=O)NC)-c3c(cccc3F)F)Cl	9
+c1cc(ccc1C2C(c3cc(Cl)ccc3)CC(CC=C)(C(N2C(CNC)CC)=O)C)Cl	110
+c1cc(ccc1F)-c2oc3c(c4c(OC(C)(C)C4)cc3)c2C(=O)NC	1036
+c1cc(ccc1F)-c2oc3c(c2C(NC)=O)c4CC(Oc4c(NS(=O)(=O)C)c3)C	1036
+c1cc(ccc1F)-n2ccc3cc(ccc23)OCCCCNC	132
+c1cc(ccc1C(CC=C)C(=O)NC)F	9
+c1cc(ccc1F)C2c3c(CC2)c(NC)nc(Cl)n3	40
+c1cc(ccc1N2C(C=CN=C2C(C)NC)=O)F	1682
+c1cc(ccc1O)C(c2ccc(c(c2)Br)OCCNC)=C(c3ccccc3)CC	132
+c1cc(ccc1OCc2ccc(cc2)F)OCC(NC)=O	271
+c1cc(ccc1Oc2ccnc(NC)n2)OCc3ccccc3	96
+c1cc(ccc1C(O)=O)S(=O)(=O)NC	71
+N(C)CC1Oc2c(cccc2C1)-c3cc(C)ccc3C	463
+Cc1c(cccc1)-c2cc(F)c3c(c2)CC(CNC)O3	463
+Clc1ccc(Cl)c(c1)-c2cccc3CCC(Oc23)CNC	463
+Cc1c(c(ccc1)-c2c3c(CC(CNC)O3)ccc2)C	463
+c1cc(ccc1CNC)[N+]([O-])=O	370
+c1cc(ccc1[N+]([O-])=O)Oc2cc(ccc2)C(NC)=O	14
+c1(NC)ccc(cn1)C#N	70
+c1ccc2C(C(CNC)CC=C)c3c(cccc3)COc2c1	110
+c1cccc(c1OCCC)-c2nc(cc(n2)O)C(=O)NC	780
+c1cccc2c1snc2NCCNC(c3ccc(cn3)C(NC)=O)=O	56
+c1c2c(ccc1)n(C)c(CNC)c2C	294
+c1ccccc1-c2ncc(c(NC)n2)C(OCC)=O	40
+c1cc(ccc1)-n2c(c(C)c(C(NC)=O)n2)N	81
+c1ccccc1C(c2cc(OC)cc3c2cc[nH]3)CCNC	110
+c1ccccc1CCC(C(=O)NC)N	248
+c1ccccc1COC(NC(C(NC)=O)CC(C)C)=O	9
+c1ccccc1COC(NCC(C(=O)NC)C)=O	248
+c1ccccc1COc2cc3c(cc2)ncc([N+]([O-])=O)c3NC	105
+c1ccccc1COc2c(cc(cc2)Br)CNC	42
+c1ccccc1Nc2nc(ccc2C(=O)NC)Cl	56
+c1cc(ccc1)OC(NC)=O	101
+c1(cc2c(nccc2Oc3ccc(c(Cl)c3)NC(=O)NC)cc1OC)C(=O)OC	238
+c1ccccc1S(=O)(=O)c2ccc3OCCN(C(CCNC)=O)c3c2	4844
+c1nc(ncc1)C(O)CNC	284
+c1cc(ccc1CNC)Oc2cncnc2	42
+n1(Cc2c(F)cccc2)c3c(nc1)cnc(n3)NC	96
+N(C)C(c1nn(C2CCCCO2)c3cc(ccc13)Nc4ccccc4C(OC)=O)=O	81
+n1c(nc(Cl)c([N+]([O-])=O)c1NC)Cl	40
+c1c(NC)ncnc1Cl	40
+c1ccccc1-c2nc(NC)nc(Cl)n2	387
+COc1cn2cc(-c3cnc(NC)cc3)nc2cc1	182
+c1nc(ncc1OCc2ccccc2)NC	96
+n1cc2ccc(nc2c(Br)c1)C(NC)=O	81
+C1C(c2c(CC1)cccn2)NC	2049
+n1ccncc1C(O)CNC	284
+n1cnn(-c2cc(NC)ncn2)c1N	40
+NC(=O)C1C(C2CC1C=C2)Nc3c(c(ncc3Cl)N)N	13
+CCCn1c2c(c(nc(n2)-c3ccccc3OCCC)O)c(C)n1	9630
+NC(=O)c1c(NC2C(CCCC2)C)c3n(nc1)cc(N)c3	13
+c1c(Nc2cncc(-c3ccccc3F)c2C#N)c(F)cc(I)c1	274
+NC(=O)c1c(c2ccc(-c3c(C)nn(C)c3C)cc2nc1)Nc4cccc(C(=O)O)c4	6
+O(C)c1cc(OC)c2c(nc(nc2O)-c3nc(F)ccc3)c1	2863
+c1c(C)c(c(cc1-c2nc(O)c3c(OC)cc(OC)cc3n2)C)OCCCO	748
+c1c(c(Br)nc(c1)-c2nc3cc(cc(OC)c3c(n2)O)OC)OC	2863
+c1cc(ccc1N2CCN(C(C)=O)C(C2)C)-c3nc(c4c(cc(OC)cc4OC)n3)O	748
+Oc1c2c(nc(-c3cnncc3)n1)cccc2	4845
+c1(c(cc(c(c1Br)F)F)C(=O)O)F	9631
+c1(Cl)c(cc(c(c1N)Cl)C(N)=O)F	0
+N#Cc1cc2c(CCCC2)c(c1OC)I	274
+c1cc(ccc1)C=2CCN(CC=2)CCCC(=O)Nc3ccccc3C(=O)N	1822
+S=C(c1c(cccc1)[N+]([O-])=O)N	581
+Nc1sc(nn1)-c2cc3c(cc2)cnc(F)c3	4846
+Nc1sc(nn1)-c2cc(Cl)ncc2	4846
+c1c(OC)c(c(cc1)OC)CNC(Nc2nc(Br)ccc2)=N	9632
+c1cc(ccc1Br)-c2csc(Nc3cccc(C)n3)n2	354
+n1ccncc1Nc2nc(c(s2)-c3ccncn3)-c4cc(ccc4)C#N	4465
+Cc1nc(-c2cc3c(c(c2)O)scc3)sc1C(=O)OCC	2242
+c1cc(ccc1C(NC(C(=O)O)CCCC(O)=O)=O)F	946
+c1cc(ccc1S(=O)(=O)Nc2ccccc2Oc3ccc(Cl)cc3Cl)C(NCC(NCCCCC(N)C(OC)=O)=O)=O	9
+c1([N+]([O-])=O)cccc(c1)-c2sc(nc2C(=O)OC)C	9633
+c1(cc2OCCc3c(nc(C)s3)-c2cc1)N4CC(CNC(C)=O)OC4=O	3532
+c1cc(ccc1C#N)OCCCCCOc2ccc(cc2)-c3csc(C)n3	963
+c1cc(ccc1-c2c(sc(C)n2)C(=O)OC)F	9634
+Cc1ccccc1-c2nc(C)sc2C(=O)OCC	9635
+O=S(=O)(C)NCC(N)C	111
+c1ccccc1COC(NC(C(O)=O)CC(N)=O)=O	544
+c1cc(ccc1C(NC(C(O)=O)CCC(=O)OC)=O)F	946
+c1cc(ccc1)COC(=O)NC(c2ccccc2OC)CCC=C	101
+c1(nc([nH]c1)C(NC(=O)c2cncs2)CCCCCC(NC)=O)-c3cc4ccccc4nc3OC	454
+c1cccc2c1C(=O)N(C2=O)C(C)CO	672
+O=S(=O)(NC(C)CO)c1c([N+]([O-])=O)cccc1	71
+O=S(=O)(c1c([N+](=O)[O-])cccc1)Nc2ccccc2C=NC(C)CO	853
+O=S(=O)(c1ccc(cc1)Cl)N(Cc2ccc(cc2)C(NC(C)CO)=O)C3C(CCCC3)C	14
+C1(c2c(C=CN1C(C)CO)c(c(C)cc2)[N+]([O-])=O)=O	1892
+c1c(cc([N+]([O-])=O)c(NC(C)CO)c1)Br	60
+c1cc(ccc1)-c2c(COc3ccc(cn3)C(NC(CO)C)=O)c(on2)C	56
+c1ccccc1COC(=O)NC(C)CO	101
+c1cc(ccc1C)C2CCCN2c3nc(cc(Nc4sc(C#N)cn4)n3)C(NC(C)CO)=O	81
+c1cc(ccc1OC)CNC(C)CO	42
+c1cc(ccc1S(=O)(=O)N(C2CCCC(C)C2)Cc3ccc(cc3)C(NC(C)CO)=O)Cl	14
+c1ccccc1COC(=O)c2ccc(cc2C)C(NC(C)CO)=O	14
+c1ccccc1CSc2nc3nc(N)sc3c(NC(CO)C)n2	9636
+c1(nc2ccc([N+]([O-])=O)cc2cn1)N	9637
+c1(nc2c(cc(c(OC)c2)Br)cn1)N	9638
+c1(cccc(c1)CCc2nc(N)nc(O)c2)Br	9639
+c1c(cc2c(c1)nc(N)nc2)Br	9640
+c1cc(ccc1)Cc2c(O)nc(N)nc2C	3491
+c1cc(ccc1COC2CCCCO2)Cc3c(C)nc(N)nc3O	9641
+c1cc(ccc1OC)Cn2nc(c(-c3ccnc(N)n3)c2)-c4cccc([N+]([O-])=O)c4	3805
+NC(N)=NC(Cn1c(ccc1-c2ccccc2)C3CCC(CC3)CCC)=O	9642
+c1cc(ccc1)-c2ccnc(N)n2	4523
+c1ccccc1C(c2cc(ccc2F)-c3ccnc(n3)N)O	9643
+C(c1c(O)nc(nc1)N[N+](=O)[O-])C=2C=CN(C(C=2)=O)CCCC	9644
+n1c(N[N+]([O-])=O)ncc(c1O)Cc2cc(ccc2)OC	4847
+n1c(N[N+]([O-])=O)ncc(c1O)Cc2ccc(nc2)OC	4847
+NC(N)=Nc1scc(n1)-c2nc(ccc2)CO	629
+NC(N)=Nc1scc(-c2nc(C(=O)O)ccc2)n1	1
+c12C(NC(=O)Nc1c(C)cc(c2)Br)=O	9645
+c1c(Br)c(Cl)cc2c1cnc(O)n2	4660
+c1c2c(cc(OC)c1Br)nc(nc2)O	9646
+c1(c(c(ccc1C)O)C)Cl	4271
+c1cc(ccc1)C=2C(c3cc(c(c([N+](=O)[O-])c3)O)Cl)NC(=O)NC=2c4ccccc4	9647
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4cccc(C)c4	4848
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4ccc(Cl)c(Cl)c4	4848
+c1cc(ccc1)S(=O)(=O)n2ccc(c2)C3=C(c4ccccc4)C(NC(=O)N3)c5cc(c(c(c5)[N+]([O-])=O)O)OCC	9648
+c1c(CN2c3ccccc3NC2=O)cccn1	4849
+c1cc(ccc1)C(c2ccccc2)N3CCN(CC3)CCCN4C(Nc5cc(c(Cl)cc45)Cl)=O	4849
+c1cc(ccc1-n2c3C(=O)NC(=O)Nc3cc2)Br	9649
+c1cc(ccc1Cn2nccc2)Oc3ccc(cn3)N4C5(C(=O)NC(NC5=O)=O)CCC4=O	3524
+c1ccccc1-c2c3c(nc(O)n2)cccc3	9650
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCN4C(Nc5cc(ccc45)C(F)(F)F)=O	1595
+CCOC(=O)C(c1csc(N)n1)=NOCC	1145
+C(CCON=C(c1csc(N)n1)C(=O)OCC)CCCCC	1145
+N1C(NC(=O)C(=C1C)C)=S	9651
+O=C(C(=NOC)c1csc(N)n1)OC	9652
+N(=C(C(OCC)=O)c1csc(N)n1)OC	1145
+O=C(OCC)C(=NOCCC)c1csc(N)n1	1145
+O=C(OCC)C(=NOCCCC)c1csc(N)n1	1145
+N(=C(C(OCC)=O)c1c(C)sc(N)n1)OC	9653
+Nc1sc2c(CCCCC2=O)n1	3565
+n1cc(cnc1C)CC=2C(=O)NC(NC=2)=S	9654
+O=S(=O)(C)c1c(ccc(-c2c(C)nc(N)s2)c1)Cl	9655
+O=S(=O)(N(c1cccc(c1F)-c2nc(N)sc2)COC)c3c(F)ccc(F)c3	354
+O=S(=O)(N1c2c(CC1)cc(cc2)-c3c(C)sc(N)n3)c4ccccc4[N+]([O-])=O	1258
+Nc1nc(cs1)-c2c3cc(Br)cnc3[nH]c2C	9656
+c1(C)cc(cc(C)c1-c2csc(N)n2)Oc3ccc4OCOc4c3	354
+c1(N)nc(c(C)s1)-c2cc3CCN(C(c4ccccc4C)=O)c3cc2	1258
+c12c(cncc1F)sc(n2)-c3c([N+]([O-])=O)cccc3Cl	3092
+c12c(cncc1sc(-c3c(F)cccc3Cl)n2)F	3092
+c1c(C)c(c(cc1OC)C)-c2csc(N)n2	354
+Cc1cc(cc(C)c1-c2nc(sc2)N)Oc3ccc(cc3)F	354
+c1c(Cl)c(c(cc1C#N)Cl)-c2sc3cncc(F)c3n2	3092
+C1CCc2ccc(cc2-c3nc(N)sc13)F	1258
+c1cc(ccc1)-c2nc(N)sc2C=3C=CC(N(C(C)C)N=3)=O	9657
+c1c(C)c(c(cc1Oc2ccccc2)C)-c3nc(sc3)N	354
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC(C)(C)c3nc(N)sc3	1102
+c1cc(ccc1-c2nc(N)sc2)C#N	354
+C1CCCCC1Cc2c(-c3ccc(cc3)OC)nc(N)s2	1258
+c1cc(ccc1C(O)=O)-c2nc(N)sc2	9658
+CC(C)c1ccc(cc1)-c2csc(N)n2	354
+O=S(=O)(NC1CCCC1)c2ccc(cc2)-c3nc(N)sc3	354
+c1cc(ccc1SC)Cc2c(C(OCC)=O)nc(N)s2	9659
+c1cc(ccc1-c2nc(N)sc2C)OC	1258
+c1ccccc1C(Nc2nccc(c2)-c3c(-c4ccc(cc4)OC)nc(N)s3)=O	9660
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3C(C(=O)N23)NC(=O)C(=NO)c4csc(N)n4)=O	9661
+c1ncncc1CC=2C(=O)NC(NC=2)=S	9662
+O(c1cccnc1)c2cc(OCCOC)c(Nc3nccs3)nc2	3030
+c1ccccc1COC(=O)NC([PH](=O)O)C	101
+N#Cc1cc(c(c(c1N)[N+](=O)[O-])C)[N+]([O-])=O	274
+c1cc(c(-c2cc(c(C)[nH]2)C(N)=O)cc1)N	0
+Oc1c2sccc2nc(-c3ccccc3OC)n1	9663
+NC1=C(N)C(N(C(=O)N1)C)=O	721
+C(O)c1cccc(c1)OCCCNC2=C(N)C(=O)C2=O	41
+NC1=NC(=CC(N1C)=O)NN	9664
+c1cc(ccc1-n2c3c(cnc(n3)NC4CC(CC4)C(=O)O)nn2)OCCOC	96
+c1cc(nc(-c2c(cnc(NC3CC(C(=O)O)CC3)c2)Cl)c1)NCc4cc(ccc4)F	182
+c1cc(ccc1I)-n2nnc3cnc(nc23)NC4CCC(C4)O	96
+c1cc(ccc1OC)CN2C=Cc3cc(ccc3C2=O)OC4CC(CC4)N	57
+c1c2C(=O)N(C(=O)c2ccc1)C3C(CCC3)O	672
+c1ccc2c(c(cn2Cc3c(F)cc(-c4cnn(C)c4)cc3)C(NC5C(O)CCC5)=O)c1F	1281
+O=S(=O)(CC)NC(C(NC1CCCCC1c2cc(c(O)cc2)OC)=O)C(C)C	9
+n1cc(cnc1C(=O)NC2CN(c3nccn4cccc34)CC2)Br	855
+c1cc(ccc1F)-n2ccc(n2)C(NC3CCN(c4nccn5c4nnc5)C3)=O	81
+CCC(NC1CCc2cc(OC)ccc2C1)=O	9665
+c1cc(ccc1)COC(NC2C(CCCC2)CNC3Cc4c(cc(F)cc4)CC3)=O	110
+NC1CCc2ccc(cc2C1)O	5
+c1ccccc1COc2ccc(cc2)C(O)C(=O)NC3Cc4c(ccc(c4)O)CC3	9
+c1[nH]c2c(c1CCCNC3Cc4c(OC3)c(F)ccc4C(=O)N)cc(cc2)F	132
+c1[nH]c2c(cc(C#N)cc2)c1CCCNC3Cc4c(OC3)cccc4OC	132
+O=S(=O)(OCC1OC(CC1O)N2C(N=C(C(=C2)I)N)=O)c3ccc(cc3)C	36
+c1c(C2CC(c3c(nccc3C)C2)=O)c(F)ccc1C	9666
+C1(C(=C(N)N(CCCC)C(N1)=O)N=O)=O	863
+C1(C(=C(N)N(CCCCC)C(N1)=O)N=O)=O	863
+O(C(=O)CCCCC(=O)NCC(=O)c1ccccc1OC)C	612
+O=S(=O)(c1c(Cl)cc(cc1)Cl)NCCCCN	71
+c1(cccc(C(=O)O)c1)Nc2nc(ccn2)-c3ccnc(c3)NCCCCN	70
+c1cc(ncc1Br)NCCCN	340
+C(CNC(c1nc(c(nc1N)N)Cl)=O)N(C)CCC(=O)NCCN	248
+O=S(=O)(C)Nc1ccc(CC2=NCCN2)c(C)c1F	9667
+c1cc(ccc1)CS(=O)(=O)c2c(NCCN)ccc([N+](=O)[O-])c2	205
+O=S(=O)(Nc1c2c(ccc1OC)C(CCC2)C=3NCCN=3)C	9668
+O=S1(=O)c2ccc(cc2C(c3c1cc(cc3)C=4NCCN=4)=O)F	3923
+c12c(cccc1[nH]cc2Cl)NC(=S)NCCN	1167
+c1(nsc2ccc([N+]([O-])=O)cc12)NCCN	4060
+c1(cc(Cl)c(cc1)Br)NCC2=NCCN2	9669
+C1NCCNC1c2ccco2	9670
+NCCNc1ccc2ccccc2c1	9671
+c1nc(ccc1C(Nc2ccccc2N)=O)NCCN	70
+c1(ccc([N+]([O-])=O)c(n1)N)NCCN	70
+c1ccccc1COC(NCCN)=O	101
+c1cc(ccc1)Cn2c(c(c3c2cc(cc3)C4=NCCN4)C(=O)NCc5cc(F)c(cc5)F)C(C)C	9672
+c1cc(ccc1)Oc2ccc(CNC(c3ccc(NCCN)nc3N)=O)s2	70
+c1cc(ccc1-c2csc(NCCN)n2)Br	4289
+c1cc(ccc1C23Cn4c(C(=O)N2CCN3)ccc4Br)OC	9673
+c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2	9
+c1cc(ccc1F)C2c3nc(nc(NCCN)c3CC2)Cl	40
+c1ccccc1COc2ccc(C3=NCCN3)c(N)c2OC	2086
+c1ccccc1COc2ccc(cc2Cn3nc(cc3C)C4=NCCN4)Cl	9674
+c1cc(ccc1S(=O)(=O)NCCNc2ccc3c(cccc3)c2)C=C	71
+c1(c(cc(cc1)N(C)c2c3ccccc3nc(NCCNC(=O)C)n2)OC)OC	68
+c1c(nc(nc1)NCCc2ccc(c(OC)c2)OC)-c3cc(ccc3)[N+]([O-])=O	96
+c1(cc2oc(nc2cc1)NCc3c(Cl)cccc3)O	1527
+c1(c(cnc(n1)Cl)N)NCc2ccccc2F	40
+C(c1nc(nc(NCc2c([N+]([O-])=O)cccc2)c1Cl)-c3c(F)c(c(Cl)cc3)OC)(OC)=O	40
+CC(C)c1c(C)nc(C)c(CN)c1	1747
+c1cc(ccc1-c2nc(no2)CCCCCCCCCCC)CNCc3c4ccccc4sc3	42
+O=S(=O)(NCc1c2ccccc2ccc1)c3sc(Cl)c(Cl)c3	1427
+Oc1c(CNCc2cc(CC(OC)=O)ccc2)cccc1	42
+O=S(=O)(c1ccc(cc1)C#Cc2ncccc2)NCc3ccnc4c3cccc4	71
+c1cc(ccc1Cc2ccccc2)S(=O)(=O)NCc3ccnc4c3cccc4	71
+C(CCCCCCCCCCCC)C(NN)=O	561
+c1(-c2cc(c(C)cc2)C=3C(N(c4nc(SC)ncc4C=3)C)=O)[nH]cnn1	9675
+n1nc([nH]c1)-c2c(c(c(Br)s2)C#N)Br	2338
+c1c(-c2c(-c3nnc[nH]3)cn(-c4ccnc(Cl)c4)c2)c(ccc1)Cl	9676
+c1c(C)nc(-c2c(c[nH]n2)-c3cc(Br)c(F)cc3)cc1	9677
+c1cc(ccc1Cl)Cc2c(c(-c3ccnc(NC(=O)C)c3)sc2-c4nnc[nH]4)C#N	2338
+COc1cc(cc(OC)c1)-c2nnc(O)c3cc(ccc23)OC	1055
+CCOC(=O)C(C)c1n[nH]c(C)c1	9678
+N1C(=O)C(C)N2c3cc([N+]([O-])=O)ccc3SCC2=N1	2833
+N1C(=O)C(C)N2c3cc(c(C)cc3OCC2=N1)Br	2833
+c1(ccc(-c2c([nH]nc2N)C)cc1OCCOC)OCCOC	2014
+O(c1cccnc1NN)C	383
+c1c(cc(Br)c(F)c1)Cc2nnc(c3c2cccc3)O	3538
+c12OCCOc1c(C(NN)=O)cc(c2N)Cl	1094
+C(=O)(OCC)c1c2c([nH]n1)CCCCC2	2783
+n1c(c(nc(-c2cc([N+]([O-])=O)ccc2)n1)O)C(C)NC(C)=O	9679
+c1cc(ccc1C)Cc2nnc(c(O)n2)C(NC(C)=O)C	9680
+c1cc(ccc1-c2nnc(C(C)NC(C)=O)c(O)n2)[N+](=O)[O-]	9681
+c1c2c(O)nnc(-c3c(cccc3)OC)c2ccc1OC	1055
+c1(ccccc1C(NN)=O)I	898
+c1c(F)c(c(cc1-c2nnc(cc2)O)F)OCCCCl	4850
+c1ccccc1-c2nn3ccc(OC)cc3c2-c4ccc(nn4)O	9682
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)-c3ccc(O)nn3	4850
+O=S(=O)(Cc1c(C(NN)=O)cccc1)N	296
+O=S(=O)(c1c(C(=O)NN)cnn1C)N	9683
+CCN(CC)S(=O)(=O)c1c(nc(cc1)NN)C	383
+O=S(=O)(c1cc(-c2c3cccnc3[nH]n2)[nH]c1)NCCN4CCOCC4	2410
+O=S(=O)(c1ccc(NN)c(Cl)c1)N	2092
+c1cc(ccc1S(=O)(=O)N)Nc2nnc(N)[nH]2	3024
+O=S(=O)(c1ccc(cc1F)NN)N	2092
+O=S(=O)(n1c2ccc(C(NN)=O)cc2c(I)c1)c3ccc(cc3)C	898
+O=C(C(c1ccccc1Cl)O)NN	355
+Cc1cc(cc(C)c1-c2c(n[nH]c2N)C)Cl	2014
+c1(C)nc2n3c(nc(C(NN)=O)c3)ccc2c(C)c1	2100
+n1c(O)c2c(cn1)nc(N)s2	9684
+c1c(cc2c(c3c(n[nH]c3)nc2)c1)Br	9685
+NNC(c1ccc(c(Cl)c1)O)=O	296
+c1(cc(Cl)c(cc1O)O)-c2c(c[nH]n2)-c3cc(ccc3)OCCCCC#N	3575
+c1(nc(cc(NN)n1)Cl)CC	1021
+c1(F)cc(cc(F)c1)NS(=O)(=O)c2cc3c(n[nH]c3N)nc2	1448
+c1(-c2cc(nc(NN)c2)F)nc(SC)ncc1	1606
+n1ccc(-c2cc(nc(NN)c2)F)nc1Nc3ccnn3C	1606
+c1(c(OC)c(-c2c(n[nH]c2C)N)ccc1)OCCOC	2014
+[nH]1nc2c(cnc(SC)n2)c1	9686
+c1(C)c(ncc(c1)[N+](=O)[O-])NN	383
+n1ccnc(Cl)c1NN	2839
+Clc1c2c(n(C)nc2)nc(c1)-c3cccc4c(n[nH]c34)N	575
+c12c(n[nH]c1c(F)ccc2)N	575
+c1(c(c(ccc1C)Cl)Nc2ccccc2C(NN)=O)Cl	296
+c12cc(ccc1c(-c3cccc(OC)c3)nnc2O)OC	1055
+c1(cc(C)cc(C)c1OCC(NN)=O)-c2occc2	561
+n1c(NN)cc(cc1)-c2ncccc2	383
+c1(c2cccc(Cl)c2c(nn1)Cc3ccc(c(C#N)c3)F)O	9687
+c1(cc(cc(C)c1-c2c3ccccc3c(nn2)O)C)C	1055
+c1(Cl)cc(cc(Cl)c1)Oc2c(CC)n(CC(NN)=O)nc2CC	561
+c1(cccc(c1)-c2n[nH]c3nc(Cl)ncc23)Br	9688
+c1(ccc2[nH]c(c(Cc3c4c(cccc4)c(nn3)O)c2c1)C)Cl	1922
+c1(cccc(C(NN)=O)c1)N2C(=O)c3c(nc(SC)nc3)N4C(CCC4)C2	898
+c1cc(c(NN)nc1)-c2ccccn2	383
+c1(n(c2cc(C(=O)NN)cc(C)c2n1)Cc3ccc4c(CCc5c(C4=CC#N)cccc5)c3)CCC	898
+c1c2c3[nH]nc(C)c3c(O)nc2cc4CCCCc14	3093
+NNC(c1ncc2c(c1)cc(cc2)F)=O	1726
+c12c(c(O)nc3c1cc4ccccc4c3)c(C)n[nH]2	3093
+c1c(-c2cc3c(cc2)c(N)[nH]n3)nc(nc1N4CC(CCC4C)C(NCc5ccccc5F)=O)N	575
+c1c(-c2cncc(Nc3ccc(I)cc3F)c2C(NN)=O)c(ccc1)Cl	898
+NNC(c1cc(Br)c(Cl)cc1)=O	296
+s1ccc(c1)-c2c3ccccc3c(nn2)O	9689
+c1c(nn(Cc2n[nH]c3cc(nc(C)c23)C)c1C)C	9690
+c1(cc(cc(Cl)c1O)C(=O)NN)Cl	1094
+c1c2c(c(n[nH]2)N)c(F)cc1	575
+c1c(F)cc(cc1C(=O)c2ccc3c(c(n[nH]3)N)c2)F	575
+c1c(F)cc(cc1Cc2cc3c(cc2)n[nH]c3N)F	575
+c1c(I)cc(c(NC2=CC(=O)N(C)C=C2C(NN)=O)c1)F	9691
+c1c(OC)cc(cc1Nc2c(C(NN)=O)cccn2)OC	1872
+c1([nH]nc2c1cccc2F)-c3ccc(OC)cc3OC	1216
+c1c(cc2c(c1OC)[nH]nc2-c3cc(F)ccc3)C#N	1216
+c1c(cc2c(n[nH]c2c1)CC)Br	4851
+c1c(cc2c(n[nH]c2c1)CCC)Br	4851
+NNC(c1ccc(cc1OC)Br)=O	898
+NNC(=O)c1c(c(c2n(ccn2)c1)Cl)Nc3c(F)cc(cc3)Br	1325
+c12c3c(-c4c(C)c([N+]([O-])=O)ccc4)nnc(O)c3[nH]c1cc(cc2)Br	9692
+c1c(cc2c(c1)ncc(NN)n2)Br	1386
+c1(c(cc(nn1)Cl)C)NN	599
+c1(cc(OCc2ccc3ccccc3c2)cc(C(NN)=O)c1)[N+]([O-])=O	296
+N(c1nc2ccccc2nc1Cl)N	1386
+c1c2c(ccc1OC)nc3c(c2)c(n[nH]3)N	9693
+c1cc(ncc1Br)NN	2568
+[nH]1c(-c2n[nH]c3ncccc23)ccc1C(NC)=O	2410
+c12c(C(N(c3c(cccc3)C)C=C1)=O)c([nH]n2)N	4852
+c1cc(cc2nc(c(nc12)NN)OC)OC	1386
+c1ccccc1-c2c3c(nc(NN)c2)ccc(Br)c3	2572
+c1ccccc1-c2cc3c(N)n[nH]c3nc2	1448
+c1cc(ccc1)-c2nc(oc2-c3cnc(NN)cc3)C	383
+c1ccccc1-c2cnc(NN)cn2	2839
+c1cc(ccc1)-c2nnc(O)c3c2ccc(c3)OC	1055
+c1cc(ccc1)C(NC(Nc2nc(c3c(c2)n[nH]c3N)COC)=O)C	3094
+c1cc(ccc1)C=2c3c(C(N(C=2)c4ccccc4C)=O)c(n[nH]3)N	4852
+c1cc(ccc1)Cc2nnc(O)c3c2c(cc(OC)c3)OC	1922
+c1cc(ccc1)COCn2c(-c3ccc(c(OC4CC4)c3)OC(F)F)c(c5c(nncc25)O)Cc6c(F)cccc6	9694
+c1cc(ccc1)Nc2cc(-c3cc(c4c(c3)n[nH]c4N)F)nc(n2)N	9695
+c1cc(ccc1)OCc2c3c(cc(OC)cc3)c(O)nn2	1922
+c1cc(ccc1)Oc2ccc(cc2)-c3nc(cc4[nH]nc(N)c34)C5CCN(CC5)C(=O)OCc6ccccc6	3094
+c1cc(ccc1-c2c(n(c(-c3ccccn3)n2)C)I)C(=O)NN	296
+c1cc(ccc1-c2nc3c(cc2)c(n[nH]3)N)N	1448
+c1cc(ccc1-c2cnc(NN)nn2)C(OC)=O	4853
+c1cc(ccc1-c2nc(c(N)nc2)C(=O)NN)C(=O)N(C)C	4742
+c1cc(ccc1Oc2ccccc2)-c3nc(-c4ccc(cc4)NC(C)=O)cc5n[nH]c(c35)N	3094
+c1cc(ccc1-c2cn3c(ccc(c3)I)n2)-c4ccn[nH]4	927
+c1ccccc1-c2c(nc3c(c(ncc3)NN)c2)-c4ccc(cc4)C5OCCO5	9696
+c1cc(ccc1-c2ccn[nH]2)Br	927
+c1cc(ccc1Br)-c2c([nH]nc2C)-c3c(cc(c(c3)Cl)O)O	9697
+c1cc(ccc1-c2c3Cc4c(ccs4)-c3n[nH]2)Br	9698
+c1cc(ccc1C2=NNC(CC2)=O)CCOC(=O)C	2388
+c1cc(ccc1OCCCCCCOC)C(=O)NN	296
+c1cc(ccc1C(NN)=O)C#N	1094
+c1cc(ccc1[N+](=O)[O-])C=2c3cc4c(cc3CC(=O)NN=2)OCO4	9699
+c1cc(ccc1-c2nnc(O)c3cc(OC)ccc23)-c4nn(C)nn4	1055
+c1cc(ccc1C(Nc2cccc(C(=O)NN)c2)=O)C#N	296
+c1cc(ccc1C(NN)=O)I	296
+c1cc(ccc1-c2nnc(O)c3ncccc23)-n4ccnc4	9700
+c1cc(ccc1-c2nnc(c3cc(F)ccc23)O)F	1055
+c1cc(ccc1C2(CCN(CC2)C(=O)c3cc(c(cc3CC)C4CCC4)C(NN)=O)F)C#N	296
+c1cc(ccc1Br)C2C(C2)CC(=O)NN	355
+c1cc(ccc1CC(=O)OC)Oc2cc(NC(=S)NN)ccc2	4757
+c1cc(ccc1CCc2cc(C(OCC)=O)[nH]n2)OC	2889
+c1cc(ccc1C(NN)=O)CCCCCCCCCCCC	296
+c1cc(ccc1CN2C(c3cc(ccc3N=C2)CC(NN)=O)=O)OC	561
+c1cc(ccc1Cc2n(c(nn2)N)N)F	9701
+c1cnccc1-c2c(nccc2-c3ccc(cc3)Cl)NN	383
+c1cc(ccn1)-c2c(NN)nncc2-c3ccc(cc3)Cl	599
+c1cc(ccc1Cl)C=2CCC(=O)NN=2	2388
+c1cc(ccc1C2N(C(c3[nH]nc(C)c23)=O)c4cn5c(C)nnc5c(C)c4)Cl	9702
+c1cc(ccc1Cl)Nc2c3ncn(CCOCC)c3nc(NN)n2	1657
+c1cc(ccc1Cl)Nc2nc(nc3c2ncn3C)NN	1657
+c1cc(ccc1F)-c2cc([nH]n2)C(OCC)=O	4854
+c1cc(ccc1F)C(C)(C)CNc2ncc(cn2)-c3ccc4c(c(n[nH]4)N)c3	575
+c1cc(ccc1F)CC(=O)NN	561
+c1cc(ccc1NC(=O)c2c(cccc2)F)C(NN)=O	296
+c1cc(ccc1C(=O)NN)NC(CCCCC)=O	296
+c1cc(ccc1C(NN)=O)NC(CCc2cc3c(OCO3)cc2)=O	296
+c1cc(ccc1C(NN)=O)NC(CCc2ccc(c(c2)O)O)=O	296
+c1cc(ccc1NS(=O)(=O)C)-c2ccc(NN)nn2	599
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3nc4n[nH]c(N)c4nc3	9703
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3nc4c(c(C)[nH]n4)nc3	9704
+c1cc(ccc1-c2cc([nH]n2)C(OCC)=O)OC	4854
+c1cc(ccc1OC)-c2n[nH]c3c(cccc23)F	1216
+c1cc(ccc1OC)-c2[nH]nc3c(cccc23)Cl	1216
+c1cc(ccc1OC)-c2[nH]nc3c(C)cccc23	1216
+c1cc(ccc1OC)N2CCN(CC2)c3ccc(cc3)NC(=O)NN	9705
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)Nc3nnc(N)[nH]3	3024
+C1COCCN1CCOc2ccc(cc2)C=Cc3n[nH]c(c3)C=Cc4ccc5cc[nH]c5c4	9706
+c1cc(ccn1)C2C(=NNC(C2)=O)c3ccc4c(c3)cccc4	4105
+Cc1n[nH]c2c1c(O)nc3ccc(I)cc23	3093
+c12cc(NN)ccc1c(ncc2Br)N	2092
+NNC(c1cccc(c1)I)=O	296
+c1cc(ccc1)-c2cc3c(ccc3)oc2CC(=O)NN	743
+c1ccccc1-c2nc(C3CN(CCO3)c4nc(N)nc(-c5ccc6c([nH]nc6N)c5)c4)[nH]c2	575
+c1cc(ccc1C=2N(c3ccc(cc3)Cl)C(=O)c4cnn(c4N=2)-c5ccccc5)-c6[nH]ncc6	927
+c1ccccc1C2C(CCCCC)=NNC2	9707
+c1ccccc1C(=O)N2Cc3c(nnc(NN)c3)CC2	599
+c1ccccc1CNC(=O)c2cnc(NN)cc2	383
+c1ccccc1COc2c(C#N)c(NN)ncc2	2568
+c1ccccc1COc2cc(NN)ncc2	383
+c1ccccc1COc2ccc(c(F)c2)-c3cc(N)[nH]n3	1941
+c1cc(ccc1OCc2ccccc2)-c3n[nH]c4c3ncc(c4)F	9708
+c1ccccc1COc2cnc(cc2O)C(=O)NN	2944
+c1cc(ccc1)OCc2[nH]nc(C(=O)OCC)c2	2889
+c1ccccc1Oc2ncc(cn2)-c3[nH]nc(C(=O)OCC)c3	9709
+c1cc(ccc1)S(=O)(=O)c2c([nH]c3ccc(cc23)Cl)NN	9710
+Ic1ccnc(NN)c1Cl	383
+c1cc(ccn1)-c2c(c(NN)nc(n2)NC(C)(C)c3ccccc3)-c4ccc(cc4)F	1021
+c1cnccc1-c2nc3c(cc(nn3c2)NN)N4CCOCC4	599
+c1c(c(ccc1)F)-c2nnc(nc2)NN	4853
+c1ncncc1Cn2c3ncc(F)cc3c(C(NN)=N)n2	3554
+n1(C)ncc(-c2nnc(cc2)NN)c1	599
+n1(C)ncc(-c2cnc(c(c2)F)NN)c1	1606
+n1c(SC)nccc1-c2c(-c3occc3)nc4c(c(n[nH]4)N)c2	1448
+c1c(c(ccc1)-c2nc(nc(NN)c2)CC)OC	1021
+n1c(CCl)nc(c2cc(C)ccc12)NN	1021
+n1c(-n2ncc3c(ncnc23)NN)cccc1	9711
+NNC(=O)c1noc(c1)-c2cc(F)ccc2	2944
+C(C)OC(c1nn(c(CC)c1)C)=O	2202
+[nH]1c2c(c3c(cn2)cnn3C)cc1	9712
+c1(F)cccc(F)c1-c2c(N)n(nc2C)C	4855
+c1(F)cc(cc(F)c1-c2c(n(nc2C)C)N)OC	4855
+O=C1CC(=NN1C)c2c(cccc2)Cl	4856
+c1cc(ccc1-c2cncc3n(C)nc(N)c23)N	9713
+c1cc(ccc1-c2n(nc(c2)C)C)F	2514
+c1cc(ccc1Cl)Nc2c(Cl)cc(-c3n(nc(C)c3)C)cn2	9714
+C1(c2c(C(=O)N1CCc3cc(C(OCC)=O)nn3C)cccc2)=O	2202
+c1cc(ccc1)C=2CC(=O)N(C)N=2	4856
+c1(c(C(=O)NNC(C)=O)cc(Br)cn1)N	2716
+c1(cc-2c(cc1Br)CCc3nnc(C)n-23)F	1447
+c12c(C(=O)N(C1=O)C(c3cc4c(nc3C(=O)NNC(=O)C)c(Cl)ccc4)C)cccc2	4191
+n1c2CCc3c(cc(Cl)c(c3)Br)-n2c(C)n1	1447
+c1cc(ccc1)Oc2cc(Br)cnc2Nc3nc(cs3)CCC(=O)NNC(=O)C	1038
+c1cc(ccc1C(NNC(C)=O)=O)Oc2cc(cc(c2)OCc3ccccc3)C(OC)=O	2524
+c1c(Br)cc2c(c1)-n3c(nnc3C)CC2	1447
+CC(c1nnc2n1nc(cc2)Cl)c3c(cc4ncccc4c3F)F	2102
+c1cc(c(c2C(C(=O)Nc12)=NNC(=O)Cc3ccc(c(Cl)c3)O)Cl)C(=O)O	4857
+c1cc(ccc1-c2cc(n(n2)C(N)=O)N)F	9715
+C1N(Cc2n(c(-c3ccc(cn3)F)nn2)C1)C(=O)c4c(c(c(cc4)F)Cl)Cl	9716
+c1ccccc1C(C)=NNC(c2c(c(ccc2)[N+]([O-])=O)O)=O	2085
+[N-]=[N+]=NC(c1noc(c1)-c2cc(F)ccc2)=O	2279
+c1cc(ccn1)-c2nnc(C(C)NC(c3sccc3)=O)[nH]2	9717
+Nc1sc(C(C)F)nn1	1087
+Fc1cc(cc(F)c1-c2nnc(N)s2)Br	9718
+c1ccccc1C(CNC(=O)C)=NNC(N)=S	9719
+c1ccccc1CC(Nc2nnc(CCCCc3nnc(N)s3)cc2)=O	3054
+c1cc(ccc1N2CCC(CC2)OC3CCCCC3)-c4sc(nn4)N	3904
+c1cc(ccc1Cl)OCC(=O)NNC(=S)N	9720
+NC(=S)NNC(c1ccc2c(c1)cc(nc2)F)=O	3046
+c1(cc(N(CC)C(C)=O)ccc1)-c2ccc3nnc(NC)n3n2	9721
+c1(cccc(C)c1Nc2c(nc3ccc(F)cn23)-c4c(C(=O)NNC(=S)NC)cccc4)C	3046
+c1cc(ccc1Cl)C(NNC(c2ccc(c(c2)O)C)=O)=O	1601
+N=1NC(OC=1c2cc3c(occ3)cc2)=S	1770
+[N-]=[N+]=NC(=O)c1ncc2c(c1)cc(cc2)F	2279
+C(C)OC(c1cc(-c2ccc(cn2)C)n(-c3cccnc3)n1)=O	9722
+c1cc2n(-c3cccnc3)ncc2cc1I	9723
+O=S1(=O)Nc2c(c(ccc2)Br)CN1C	9724
+O(CC)C(OCC)c1cc2c(c(N3CCN(CC3)S(=O)(=O)N)cnc2)o1	2694
+O=S1(=O)Nc2c(cccc2)N1c3c(C)cc(cc3)F	3095
+c1cc(ccc1COC2CN(CC2)S(=O)(=O)N)OC	2694
+c1cc(ccc1F)CN2CC(N(CC2C)C(COc3c(CC(NS(=O)(=O)N)=O)cc(Cl)cc3)=O)C	344
+O=S1(=O)N(c2ccccc2N1)c3c(C)cccc3	3095
+O=S1(=O)Nc2c(N1c3ccccc3F)cccc2	3095
+c1(Cl)cc(Br)c(O)nc1	3021
+c1ccccc1Oc2cc(cnc2N)Cl	706
+Nc1cc(cc(Br)c1[N+]([O-])=O)Br	9725
+c1(cc2ccc(-c3c(N)nccc3)cc2cc1)OC	89
+c1cc(ccc1-c2cccnc2N)O	89
+c1cc(ccc1)Oc2c(nccc2)N	706
+c1cc(ccc1F)-c2cccnc2N	89
+N1=CN(C(c2scc(Br)c12)=O)C	9726
+Nc1c(Br)csc1C(=O)O	1
+CC1(C)Cc2c(O1)cc(cc2-c3cnc(N)c(c3C)C#N)Cl	89
+c1cc(ccc1)Oc2c(C#N)c(N)ccc2	46
+c1cc(ccn1)C(NC2CCC(CC2)COc3cccc(N)c3C#N)=O	57
+n1nn[nH]c1-c2c(N)nc(Cl)nc2	4335
+c1cc(ccc1Nc2nc(c(C#N)cn2)N)C(NCCCn3ccnc3)=O	55
+c1(NC(C)=O)c(C(=O)C)cc(c(C)c1)Br	26
+COc1c(cc2nncc(c2c1)O)CC	4858
+COc1c(cc2c(nncc2O)c1)CC	4858
+O=C(OCC)C(=O)Nc1c(C(=O)N)cc(C)cc1	994
+c1(O)nc(COCCc2cccc(F)c2)nc3c1cncn3	9727
+n1c([nH]c2ncccc12)-c3cc(Br)cnc3N	9728
+Nc1c(cc(C#N)cc1)C(=O)O	1
+c1c(C)cc(cc1CC(Nc2c(C(OC)=O)cc(c(Cl)c2)[N+](=O)[O-])=O)C	26
+Nc1c(CO)cnc(Cl)c1	295
+Fc1cccc(F)c1-c2c(F)cc(c(C(=O)OC)n2)N	119
+c1(-c2csc(n2)-c3cncnc3N)cc([N+]([O-])=O)ccc1	9729
+c1cc(ccc1C)S(=O)(=O)N(CC)c2cc(-c3ccnc4c(cnn34)C(c5occc5)=O)ccc2	2214
+Nc1cc(cc(C)c1N)Br	0
+N(O)C(c1ccc(C)c(N)c1)=N	181
+c1cccn2c1ncc2C(Nc3c(C)ccc(c3)C#N)=O	466
+c1(C)c(C(Nc2c(C)c(C(OC)=O)ccc2C)=O)cc(cc1)Br	67
+n1c(Nc2c(C)ccc(CO)c2)ccnc1Cl	73
+c1(C)c(cc(cc1)F)NC(C)=O	26
+c1(OC)cc(C(=O)Nc2c(c(ccc2C)O)C)cc(-c3cc(F)ccc3)c1	67
+c1c(c(c(C(Nc2c(C)c(ccc2C)O)=O)cc1-c3cc(ccc3)F)F)C	67
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5cc([N+]([O-])=O)ccc5C)=O)n2	50
+n1c(Nc2c(C)ccc([N+]([O-])=O)c2)ccnc1Cl	73
+c1c(c(c(C)cc1)N)C(Nc2cccc(Br)c2C)=O	67
+Clc1cc(C(=O)O)c(N)c(C)c1	196
+Cc1c2c(c(ncn2)O)ccc1	1116
+c1(c(c(ccc1)O)NC=2C(C(=O)C=2OCC)=O)C	1771
+c1c(Br)c(Cl)ccc1C(=O)Nc2c(cccc2C)O	50
+N1c2c(C)cccc2OC1=O	3096
+Cc1c(O)c(ccc1)Oc2c(F)cccc2	956
+C(=O)(O)C=Cc1c(NC(C)=O)cc(Cl)c(OC)c1	26
+c1(ccc(Cl)c(-c2c(N)nc3c(c2)cncc3)c1Cl)[N+]([O-])=O	9730
+O=Cc1cc(Br)c(Cl)cc1N	39
+Nc1c(C=O)cnc(Cl)c1	200
+c1ccccc1COCCCC(CC(Nc2c(Cl)cc(cc2)C)=O)c3c(C4CC4)c(-c5cnc(s5)CC(C)C)on3	33
+c1ccccc1N2N(C(=C(C(Nc3cc(F)c(O)cc3Cl)=O)C2=O)C)C	1349
+n1(C(c2cc(c(N)c3OCOc23)Cl)=O)ccnc1	4859
+c1ccccc1COC(=O)Nc2ccc(C(=O)OC)cc2Cl	90
+Nc1cc(ccn1)Oc2ccc(N)c(Cl)c2	242
+c1(cc2c(nccc2Oc3ccc(N)c(Cl)c3)cc1OCCOC)C(=O)OC	242
+c1(c(ccc(Oc2ccnc3c2cc(c(OC)c3)OC)c1)N)Cl	242
+Nc1c(Cl)cc(cc1)Oc2c3cc(C#N)c(OCC4CO4)cc3ncc2	267
+c12c(C(OC(c3cc(Cl)nn3-c4c(Cl)cccn4)=N1)=O)cc(cc2Cl)I	2241
+c12c(NC(S1)=S)cc(C#N)cc2	9731
+Nc1c(c(ccc1Cl)CN)Cl	162
+c1(cccc(F)c1N2C(C=CC(C(Nc3c(Cl)ccc(C(O)=O)c3)=O)=C2)=O)F	9732
+O=S(=O)(Nc1cc(ccc1Cl)CO)c2ccc(c(c2)OC)OC	69
+c1cc(ccc1F)Nc2cc(F)ccc2Cl	230
+Nc1c(Cl)ccc(C(=O)O)c1	1
+c1c(CO)c(N)c(Cl)cc1	98
+c1(F)cccc(F)c1COc2nc(C)cnc2N	799
+O=S(=O)(Nc1cc(Br)cnc1Cl)c2ccccc2	322
+Nc1cc(N)cnc1Cl	13
+CC(Nc1c(Cl)nn(-c2cccnc2)c1)=O	4708
+c1([N+]([O-])=O)cc2c(cc1F)ncnc2Nc3c(F)c(c(Cl)cc3)Cl	73
+Nc1c(c(ccc1Cl)CN)F	162
+O=S(=O)(C)Nc1c(F)cc(C=C)cc1	80
+c1cnc(C)cc1Oc2cc(F)c(N)cc2	242
+O=S(=O)(Nc1c(ccc([N+](=O)[O-])c1)F)C	80
+c12c(NC(S1)=S)cc([N+]([O-])=O)cc2	9733
+Cc1nc2ccc(c(c2[nH]1)C)[N+]([O-])=O	442
+c12c(nc[nH]1)c(C)c(cc2)[N+]([O-])=O	631
+c12c(nc[nH]1)c(Cl)c(cc2)Br	631
+C(c1ccc2[nH]nnc2c1C)(=O)OC	1714
+c1c(c(c2NC(C(=O)Nc2c1)=O)C)C	2966
+c12c(nc[nH]1)c(c(cc2)Br)C	631
+Cc1nc2c(c(cc([N+]([O-])=O)c2)Br)[nH]1	442
+c1cc2c(n(C)nn2)c3c1NC(C(=O)N3)=O	9734
+c1([nH]c2cc(c(Cl)cc2n1)Cl)-c3c(Cl)nccc3	4860
+COc1ccc(-c2nc3c(cc(c(Cl)c3)Cl)[nH]2)cc1[N+](=O)[O-]	622
+c1ccccc1COc2cc(OC)c(-c3nc4nc(ncc4[nH]3)Cl)cc2	4672
+Nc1c(NC(C)=O)c(Br)c(c(c1)C(=O)O)O	1
+COc1cc(cc(OC)c1)C2=Nc3c(nc(Cl)nc3)N(C)C2=O	9735
+c1c(c(-c2nc3c(n2CCO)nc(nc3Cl)C)ccc1)Cl	4168
+N1C(=S)Oc2c1ccnc2Br	9736
+Oc1c(cccc1NN=C2C(=O)N(c3ccc4CCCc4c3)N=C2C)-c5ccc(C(=O)O)o5	4436
+CCOC(=O)c1c(C)nc2c(O)cc(F)cn12	1316
+c1cc(ccc1C#N)Oc2cccnc2N	551
+c1cc(ccn1)C(=O)Nc2c(nc(nc2)Cl)O	4861
+Nc1c(N)c(c(cc1)Br)C	0
+Nc1c([N+]([O-])=O)c(C)cc(F)c1	4862
+O=S(=O)(Nc1c(F)c(ccc1)C(=O)OC)c2c(F)ccc(c2)F	69
+c12[nH]c(nc1cc(cc2C)Br)CCC	791
+Cc1c(Cl)c(Br)ccc1	480
+c12c(Cl)c(ccc1n[nH]c2)Br	1559
+c1cc(ccc1)CCNC(c2c(N)ccnc2Cl)=O	56
+Nc1c(c(Cl)ncc1)C(=O)O	1
+c12cnc(Cl)c(F)c1c3c(nccc3)[nH]2	4863
+c1c2NC(=O)Nc2c(F)cc1	2280
+C12NCCOC1CN(CC2)c3c(c(N)cc(C#N)c3)Cl	15
+c1(C(=O)O)cc(c(c([N+]([O-])=O)c1)C)O	606
+Nc1c(N)c(c(C(=O)OC)cc1)C	0
+C1CC1c2c(c(Cl)c(N)cc2F)F	365
+Nc1c(C)c(c(cc1)C#N)F	180
+c1c(ccc(Oc2c(c(N)ccc2Br)[N+]([O-])=O)c1F)F	46
+C1CC1N(c2nc(Nc3c(Cl)c(C(CCO)C)cc(C#N)c3)nn4c(C#N)cnc24)Cc5ccc(cc5)OC	9737
+Nc1cc(cc(c1I)OCC)CO	98
+Nc1c(Cl)ccc(O)c1C	196
+c1c(I)cc(c(Nc2cc(cc(Oc3c(c(N)ccc3)C)c2[N+]([O-])=O)F)c1)F	46
+O=S(=O)(Nc1cc(c2C3CC3COc2c1C(OC)=O)F)c4c(Br)cc(F)cc4	69
+O=S(=O)(c1ccc(F)cc1Br)Nc2ccc3c(c2C(=O)OC)OCC4CC34	69
+O=S(=O)(c1c(CC2CN3CCC2CC3)cc(F)cc1)Nc4ccc5c(c4C(=O)OC)OCC6CC56	69
+c1ccccc1COC(=O)NC(NC(=O)OCc2ccccc2)=Nc3cc(c4c(c3C)nc[nH]4)C	9738
+n1cc(c(Nc2c(c3cc[nH]c3cc2)C)c(C#N)c1)I	179
+Nc1c(CO)cc(Br)c(Cl)c1	49
+c1(c(N)cc(Cl)c(c1)Br)O	5
+c1(NCc2ccc3c(oc(SC)n3)c2)c(cc(Br)c(Cl)c1)[N+]([O-])=O	208
+Nc1c(C(=O)O)cc(Br)c2CCCN(C)c12	1
+O=S(=O)(NC1CC1)c2cccc(-c3cnc(N)c(c3)C(=O)N(C)OC)c2	89
+COCC#Cc1cc(F)c(Nc2c(F)c(ccc2C(=O)O)F)cc1	275
+c1ccccc1COC(c2cc(ccc2N)C#N)=O	470
+c1cc(ccc1)CSc2cc(C#N)ccc2N	1128
+c1cc(ccc1-c2cncc(n2)Nc3ccc(C(=O)O)cc3OC)O	4864
+c1ccccc1CCCN2c3nc(Nc4ccc(cc4OC)C(=O)O)ncc3N(C(=O)C(F)(F)C2)C	55
+O=C(c1ccccc1Sc2cc(ccc2N)C(=O)O)O	826
+O=S(=O)(c1ccccc1)Nc2c(C(=O)O)cc(cc2)CC	69
+c1ccccc1COC(Nc2c(cc(CO)cc2F)CCCC)=O	90
+Cc1c(Cl)cc(N)c(N)n1	13
+c12[nH]c(C)cc1cc(cn2)F	3840
+c1(c(N)cc(I)c(Cl)c1)N	0
+c1c(C)c(c(cc1-c2nc(O)c3c(n2)ccc([N+]([O-])=O)c3)C)O	748
+c1(c(Cl)cc(cc1)CNC(c2cc([N+]([O-])=O)ccc2N)=O)Cl	14
+c1(c(N)cc(C)c(c1)Br)O	5
+c1([N+]([O-])=O)cc(N)c(OC)cc1F	31
+O=S(=O)(C)Nc1cc(ccc1Nc2nc(Nc3ccc(cc3OC)OCCO)ncc2Cl)OC	55
+C1(=Nc2c(C)cc(cc2C(O1)=O)I)c3cc(nn3-c4ncccc4Cl)Cl	2241
+c1c(Br)cc([N+]([O-])=O)cc1F	480
+Nc1c(cc(cc1[N+]([O-])=O)F)C(=O)N	1079
+Nc1c(N)c(cc(F)c1)C(=O)N	0
+c1c2c(nc(c1)O)cc(F)cc2	9739
+c12c(ccc(F)c1cccn2)[N+]([O-])=O	4865
+c1ccccc1C(COc2cc(N)c(cc2)[N+]([O-])=O)N	57
+N1(C(Nc2c(ccc(OC)c2)CC1)=O)C	3764
+C(=O)(c1ccc([N+]([O-])=O)cc1NC(=O)Cc2ccc(c(c2)Cl)Cl)O	33
+c1([N+]([O-])=O)ccc(CC)c(c1)O	606
+c1ccccc1-c2n(-c3cc(ccc3O)[N+]([O-])=O)cc4N(C)C(N(C(=O)c24)C)=O	4866
+c1([N+]([O-])=O)ccc2c(NC(O2)=O)c1	3096
+Clc1c2c(c(ncn2)O)ccc1	1116
+c1cc(ccc1Cl)Oc2cc(CNC(c3c(N)nccc3)=O)ccc2	56
+c1cc(ccc1)N2C(Nc3ncccc3C2=O)=O	9740
+Nc1c(nc(NC)nc1)N	193
+Clc1cccc(Cl)c1C(Nc2c(n[nH]c2)C(OC)=O)=O	3452
+c1cc(ccc1C(Nc2c[nH]nc2C(OC)=O)=O)C	1404
+c1cc(ccc1-c2c(ccc(OC)n2)N)N(C)C	119
+Cc1[nH]c2c(n1)cc(c(-c3occc3)n2)-c4ccncn4	2684
+c1cc(ccc1)COC(N(C(C)C(=O)Nc2ccc(nc2O)Br)C)=O	469
+c1(Cl)nc(C)nc2nc[nH]c12	9741
+n1n2c(c(N)cc(C(=O)OC)c2)nc1-c3cccs3	9742
+c1c(C(=O)Nc2c(ncnc2Cl)Nc3ccnc(Cl)c3)cc(F)cc1	3097
+Clc1cccc(Cl)c1Cc2[nH]c3c(c(ncn3)Cl)n2	9743
+c1(cccc(Cl)c1Nc2[nH]c3c(Cl)ncnc3n2)Cl	9744
+n1(cnc2c1ncnc2Cl)C3CC(CO)OC3	9745
+c1ccccc1COC(Nc2cccc3cc[nH]c23)=O	950
+c1cc(ccc1)OCc2cc(nc3sc(c(N)c23)C(=O)N)C	20
+O=S(=O)(CCCCCCCCCCCCCCCC)Nc1cccc2c1cc(cc2)O	80
+N(c1cccc2cnc(cc12)COC)=C=S	9746
+c1ccccc1OC(Nc2noc3c2cccc3)=O	278
+c1cc(ccc1)Cn2ncc(c2)C(Nc3c4cc(Br)cnc4[nH]c3)=O	4371
+c1(nc2c(o1)ccc(c2)C(C)C(Nc3c4cccc(F)c4ncc3)=O)-c5c(Cl)cccc5F	33
+O=S(=O)(C)c1cc(c(cc1)OC)C(=O)Nc2c(-c3ncccc3)[nH]nc2	1404
+c1cc(ccc1OCc2nccc(c2)Cl)C(=O)Nc3cc(ccc3C)-c4ncc[nH]4	67
+Nc1cc(ccn1)-c2c(nc3cccnn23)-c4cc(c(cc4)F)C	1288
+c1cc(ccc1)OC(=O)Nc2cc(-c3n(nnn3)C)cc(CC)c2	90
+O=S(=O)(Nc1c(ncc(c1)Br)N)C	1374
+c1(-c2nc3c([nH]2)ncc(c3)Br)c(Cl)ccc([N+]([O-])=O)c1	2245
+c1cc(ccc1CNc2cc(c(c(c2)N3CCCC3=O)F)C(OC)=O)OC	208
+O=S(=O)(C)Nc1cc(c(cc1)Br)C(=O)OC	80
+c1c(-c2c(C(OC)=O)cc(N)cc2)c(ccc1)Br	11
+c1ccccc1COC(NC(C(Nc2ccc(O)c(C(OC)=O)c2)=O)CC(C)C)=O	33
+Nc1cc(C)c(CCC(OC)=O)cc1-c2cc3cnn(C)c3cc2	11
+c1cc(ccc1C#N)Nc2cc(c(Br)cc2)C	275
+c1cc(ccc1-c2ccc(N)cc2C)C(O)=O	11
+c1c2c(nccc2)cc(C)c1Br	9747
+c1c(C)c(Br)cc(N)c1N	0
+n1ccc(OC)nc1Nc2cc(C)cc(-c3sc(nc3Cl)N4CCCNC(=O)C4)c2	55
+O=C(Nc1c(ccc(C(OC)=O)c1)C)c2cc3cc(OC)c(OC)cc3nc2O	9748
+O(c1ccnc(c1)Cl)c2c(ccc(C(Nc3c(F)ccc(c3)C)=O)c2)F	4867
+c1ccccc1C=Nc2c(ccc(C)c2)O	457
+c1ccccc1C(=O)Nc2cc(C)ccc2[N+](=O)[O-]	50
+c1cc(ccc1Br)S(=O)(=O)Nc2onc(c2)C	4506
+c1cc(ccc1)OC(Nc2cc(no2)C)=O	4799
+N1C(=O)C(CCCC1)Nc2cc(c(cc2)C#N)Nc3cc(C)ns3	2170
+c1c2c([nH]cc2CC(C(N)=O)Nc3ccc(c(Nc4cc(ns4)C)c3)C#N)ccc1	2170
+c1ccccc1C(C(=O)N)Nc2ccc(C#N)c(c2)Nc3snc(C)c3	2170
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(c3)-c4cccc(C(=O)NC(C)(C)C(Nc5noc(C)c5)=O)c4)o2	142
+n1n(CCCc2ncc(cc2C)Br)c3ncc(cc3n1)Cc4cnccc4	9749
+C(c1c(Cl)cc(N)c(C#N)c1)CC	4868
+Nc1cc(Cl)c(cc1C#N)C	180
+O=S(=O)(Nc1cc(cnc1Br)Cl)c2cc(C)c(cc2)Cl	322
+O=S(=O)(Nc1cc(cnc1Br)Cl)c2ccc(c(CC)c2)Cl	322
+n1c(C(=O)OC)c(c(N)c(Cl)c1Cl)Br	395
+Nc1cc(Cl)nc(Cl)c1N	13
+C(COc1nc(Cl)cc(N)c1[N+](=O)[O-])O	91
+c1(C)cccc(C)c1CNc2c(c(nc(Cl)c2)Cl)[N+]([O-])=O	1731
+c12c(n(cn1)C)cc(nc2)Cl	9750
+c1(C)cc(Nc2ncc(c(N)c2)[N+]([O-])=O)nc(C)n1	346
+Nc1cc(F)c(C#N)c(Cl)c1	180
+c1ccccc1COC(Nc2ccc(c(F)c2)N3CC(=O)N(CC3)CC)=O	90
+c12OCOc1cc3C4(c5ccccc5N(C4=O)Cc6[nH]c7cc(ccc7n6)F)COc3c2	442
+S(C)c1cc(N)c(cc1Cl)Br	1524
+c1cc(ccc1)OC(NC#N)=Nc2cc(c(Cl)nc2)N	9751
+O=S(=O)(Nc1ccc(C(O)=O)c(c1)O)c2cc(c(s2)Cl)Br	1063
+O=S(=O)(c1cc(Cl)sc1Cl)Nc2ccc(C(O)=O)c(c2)O	4869
+O=S(=O)(c1cccc(c1)Br)Nc2cc(c(C(O)=O)cc2)O	69
+[N-]=[N+]=Nc1cc(O)c(cc1)C(=O)O	615
+c1cc(ccc1-c2ccc(cc2)S(=O)(=O)OCC(Nc3cc(c(C(=O)O)cc3)O)=O)Cl	26
+O=C(O)c1cc(N)c(N)cc1O	0
+COc1c(C)ccc(c1)O	477
+NC(=S)Nc1cc(OC)c(Cl)cc1	3098
+c1(cc2c(nc(c(c2)CNc3cc(OC)c(cc3)C#N)O)cc1O)Cl	2116
+Nc1cc(O)c(cc1Cl)C(=O)O	5
+c1cc(ccc1)CN2CC(OCC2)CCCNC(c3cc(Cl)c(N)cc3OC)=O	14
+c1cc(ccc1-c2cncc(Nc3c(Cl)cc(c(OC)c3)C(=O)O)n2)O	4864
+Nc1cc(OC)ccc1CO	49
+O=Cc1ccc(OC)cc1N	39
+c1cc(ccc1)COc2ccc(c(n2)C)Nc3cc(OC)ccc3Cl	1674
+c1cc(ccn1)C(Nc2cc(OC)ccc2O)=O	50
+c12c(ncnc1cc(OCC#C)c(OC)c2)O	4870
+c1cc(ccc1Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O)C#N	2175
+c1cc(ccc1S(=O)(=O)C)Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O	2175
+c1cc(ccc1Cc2c(CC)nc3c(c2O)c(OCC(=O)OC)ccc3F)-n4cccn4	2175
+CN(C)C=Nc1cc(c(cc1C#N)OC)OCCOC	2275
+CSc1ccc(N)c(N)c1	0
+n1cc(cnc1Nc2cc([N+]([O-])=O)c(cc2)C)Br	55
+c1c(c(C)ccc1O)C#N	606
+O=C1c2c(cccc2)C(=O)N1c3ccc(c(F)c3)C	668
+c1ccccc1C(Nc2ccc(c(O)c2)C)=O	50
+Nc1c(Cl)cc(cc1)CO	3099
+Clc1ccc(cc1F)Nc2c([N+]([O-])=O)cccn2	201
+n1ccc(nc1Nc2cc(c(Cl)cc2)O)N	55
+n1c(ccnc1Cl)Nc2cc(c(F)cc2)C#N	73
+O=S(=O)(C)Nc1ccc(F)c(c1)C(=O)C	80
+COc1c(ccc(N=C=S)c1)-n2cnc(Cl)c2	1381
+c1cc(ccc1Cl)C2c3nc(nc(c3CC2)N(C)C)Nc4cc(OC)c(cc4)-n5cc(nc5)Cl	55
+c1cc(ccc1C2c3c(c(N4CCC(CC4)(O)C)nc(Nc5ccc(c(OC)c5)-n6cc(nc6)Cl)n3)CC2)F	55
+c1ccccc1C2c3nc(Nc4ccc(c(c4)OC)-n5cc(nc5)Cl)nc(NC)c3C(C2)=O	55
+C1CC1c2ccc(N)cc2C#N	365
+COc1c(ccc(NC(C)=O)c1)CC	26
+Clc1ccc(CC)c([N+]([O-])=O)c1	1030
+c1cc(ccc1Oc2c(ccc(N)c2)[N+](=O)[O-])C=C	46
+C1CC1c2c(cc(c(Cl)c2)OC)N	365
+Nc1cc(cc(c1N)Br)Br	0
+c1c(c(c(nc1)OC)-c2nc3c(c(C)cc(c3)Br)[nH]2)I	1637
+c12c(c(OC)cc(c1)C#N)[nH]c(n2)Nc3ccccc3Br	1701
+c1(c(c(N)cc(Br)c1Cl)C(=O)OC)F	196
+O=Cc1cc(N)c(c(c1)OCC)I	39
+O=S(=O)(c1c([N+](=O)[O-])cc(cc1)C)Nc2cc(OC)cc3cccnc23	322
+c1cc(cc(c1CC)O)C(=O)C	606
+c1cc(ccc1Cc2c(c3c(nc2C)c(Cl)ccc3O)C)Cl	9752
+c1(-c2[nH]c3ccc(C#N)cc3n2)c(Cl)ccc([N+]([O-])=O)c1	622
+c12[nH]cnc1ccc(C#N)c2	631
+c1cc(ccc1C#N)-c2cccc(-c3[nH]c4c(cc(C#N)cc4)n3)n2	567
+c1cc(ccn1)-c2nc3c(o2)ccc(CCC)c3	1328
+c1(ccc(cc1C)-c2nc3cccnn3c2-c4ccnc(NC(c5cc(nc(c5)C)Cl)=O)c4)F	650
+CC(C)CCNC(=O)n1c2c(cc(Oc3cc(ncc3)N)cc2)cc1	2121
+COc1c(cc(cn1)C(=O)OC)O	4871
+Nc1cc(C(=O)O)ncc1[N+](=O)[O-]	1
+c1c(C(OC)=O)ncc(N)c1N	13
+c1ccccc1COC(N2CCCC(C2)C(Nc3cc(-c4ccccc4OC)ncn3)=O)=O	195
+c1c(NC(C)=O)ccc2OCc3n(cc(C(=O)OC)n3)-c12	26
+Nc1cc2c(cc1F)C3=CC(=O)CCC3(CCCC)C2	2992
+c1(ccc2N(C(Cc2c1)=O)C(CF)C)NCC(O)C(OC)=O	1967
+c1cc(ccc1Nc2c3c(-c4ccncc4)cn(c3nc(Nc5cc6CCC(=O)N(c6cc5)C)n2)S(=O)(=O)c7ccc(cc7)C)F	55
+c1ccccc1Cc2cc(C(NC3C(=O)N(C)c4cc(N)ccc4OC3)=O)no2	712
+c12c(cc(Nc3ncc(c(Nc4c(cccc4)C(=O)NC)n3)Cl)cc1)OCCNC2=O	55
+c1cc(ccc1C2C(=C(NC(=O)C2)C)C(=O)Nc3ccc4c(c(Cl)n[nH]4)c3)F	4662
+c12nc[nH]c1nc(nc2Nc3cc4c(CCC4)cc3)Cl	1185
+c1ccccc1COC(Nc2ccc3cc[nH]c3c2)=O	90
+CC(C)(c1ccccc1)Nc2nc(Nc3cc4scnc4cc3)nc(OCc5ccccc5)n2	360
+c1c(NC(C)=O)c(cc2C3=CC(=O)CCC3(CCCC)Cc12)F	26
+c12c(Cl)ccnc1[nH]c3ccc(cc23)NC=O	753
+O=S(=O)(Nc1ccc2c(cc(cc2)Oc3ccnc4cc(c(OC)cc34)OC)c1)c5cc(ccc5)C	69
+CC(Nc1cc2ccc(c(OC)c2c3cc(C)ccc13)OC)=O	26
+c12c(ccnc1Nc3cc4cccnc4cc3)c(Br)ccc2	201
+n1c2c(ccc1)cc(N=C=S)cc2	1034
+n1(ncc2c1ccc(c2)NC(Nc3cccc(Oc4ccnc(c4)C(=O)OC)c3)=O)C	4767
+O=S(=O)(c1ccc(cc1)C)n2ccc3c(Nc4ccc5cnn(c5c4)C)nc(nc23)Cl	1665
+c1cc(ccc1C(Nc2cc3ncccc3cc2)=O)-c4c(cccn4)Cl	67
+c1cc(ccc1-c2ccc(cc2Cl)N)Cl	11
+Fc1cccc(F)c1-c2nc(c(N)cc2)C(=O)OC	119
+Nc1c(nc(cc1)Br)O	104
+O=S(=O)(C)Nc1ccc(c(c1)Cl)C#N	80
+Nc1ccc(c2CCOc12)C(=O)O	1
+c1nc(ccc1)C(=O)c2ccc(c(N)c2)N	0
+n1ccc(C)cc1NC(c2ccc(N)c([N+]([O-])=O)c2)=O	330
+c1ccccc1COC(=O)c2c(cccc2)C(=O)c3ccc(c(c3)[N+]([O-])=O)N	470
+C(=O)(c1c(c(ccc1C)O)C)O	606
+c1c(NN)ccc(C)c1Cl	427
+Cc1ccc(cc1I)NN	427
+Cc1c(c(c(cc1)O)C)[N+]([O-])=O	606
+C(C#N)c1cc(N)c(cc1)N	0
+O=S1(=O)COCCN1c2ccc(c(c2)Cl)C(Nc3ccc(Cl)c(-c4ccc5ncccc5n4)c3)=O	67
+O=S(=O)(Cc1ccc(cc1O)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)C	67
+O=S(=O)(Nc1c(Cl)c(c(cc1)Cl)C(=O)O)CCC	80
+O=S(=O)(c1cc(C(Nc2ccc(c(Br)c2)F)=O)c(C)s1)Cl	1899
+c1c(ncc2c1c(ncn2)Nc3ccc(F)c(Br)c3)F	2212
+c1cc(ccc1C(Nc2cc(c(F)cc2)Br)=O)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl	67
+O1CCOC12Cc3sc4ncnc(Nc5cc(c(F)cc5)Cl)c4c3CC2	1500
+c1c(ccc(F)c1Cl)NC=O	753
+N#Cc1c(c2c(nc1)c(Cl)cc(c2)[N+]([O-])=O)Nc3cc(Cl)c(cc3)F	179
+C(Oc1noc(C(Nc2cc(Cl)c(F)cc2)=O)c1)CCBr	768
+c1(c([N+]([O-])=O)cc2c(Nc3cc(Cl)c(F)cc3)c(C#N)cnc2c1)OC	179
+c1ccccc1-c2cc3c(sc([N+]([O-])=O)c3Nc4ccc(F)c(c4)Cl)cc2	9753
+n1c(ccnc1Cl)Nc2cc(Cl)c(F)cc2	73
+c1(ccc(Cl)cc1C)-c2ccc(N)cc2Cl	134
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3CCCN(C3=O)c4c(Cl)cc(N)cc4	883
+c1ccccc1C#Cc2cc(ccc2N)[N+]([O-])=O	455
+CN(C)C=Nc1c(C#N)cc(cc1)[N+]([O-])=O	2275
+c1cc(ccc1N(CCCCCCO)CC)N=Nc2c(cc(cc2)[N+]([O-])=O)C#N	725
+C(O)c1ccc(N)cc1Cl	49
+c1(Nc2ccc(cc2C#N)F)c(Cl)cnc(Cl)c1	2272
+c1cc(ccc1)C(=O)c2c(N)ccc(c2)F	705
+c1c(ncnc1NC)Nc2c([N+]([O-])=O)cc(C(=O)OC)cc2	73
+c1(C=O)cc(c(cc1)Oc2ccc(N)c([N+]([O-])=O)c2)Cl	46
+Clc1cccc(Cl)c1COc2cc(c(cc2)N)[N+](=O)[O-]	22
+c1(ccccc1COc2cc([N+]([O-])=O)c(N)cc2)C(OC)=O	22
+CSCOc1ccc(N)c(N)c1	0
+c1cc2c(c3NC(Nc13)=O)OC(CO)CC2	2280
+c1cc(c(c2c1cccc2)[N+](=O)[O-])Nc3cccc(C#N)c3	230
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(c3nc4n(c3cc2)CCC4)C(OC)=O	69
+N(c1ccc2c(nco2)c1C)=C=S	1695
+N(=C=S)c1ccc2c(nco2)c1CC	1695
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(c3c(n4CCCc4c3)cc2)C(=O)OC	69
+c1c2c(cc(N)c1)c(c3cc(N)ccc3n2)O	0
+c1(c(c(ccc1)O)C)Br	606
+Nc1c(C(Nc2cccc(c2C)Br)=O)ccc(F)c1	1768
+c1c(c([N+]([O-])=O)c(C(Nc2cccc(c2C)Br)=O)cc1F)F	67
+c1cccc(N)c1C(Nc2cccc(Br)c2C)=O	67
+c1(cc(ccc1Nc2c(c(C(=O)OC)ccc2)C)F)[N+]([O-])=O	230
+c1cc(ccc1)C(Nc2c(Cl)c(ccc2)C)=O	50
+C1CN(CCN1C(C)C)c2ccc(cc2)-c3nc4cccc(Cl)c4c(n3)O	748
+c1(cccc(C(Nc2c(C(O)=O)c(ccc2)Cl)=O)c1)F	50
+O(C)c1ccccc1NC(=O)c2c(cccc2Cl)N	67
+Clc1c(SCCCCl)c(ccc1)NN	427
+O=Cc1c(N)cccc1F	39
+c1c(c(Cl)c(F)cc1)NC=O	753
+O=S(=O)(c1cc2c(Nc3cccc(c3F)F)c(C(N)=O)nnc2c(c1)C)C	9754
+c1ccccc1COc2cc3ncnc(c3cc2)Nc4[nH]nc(c4)CC(Nc5c(c(F)ccc5)F)=O	33
+c1cc(ccc1Oc2ccc(cc2)CNc3cccc([N+]([O-])=O)c3C)CCC(O)=O	208
+CC(C)(c1c(N)cccc1OC)O	1033
+Nc1c(C(=O)O)c(F)ccc1O	9755
+Nc1cccc(c1CO)OC	49
+Nc1cccc(c1C)C(=C)C	1707
+O=Cc1c(N)cccc1OC	39
+O=C(c1c2c([nH]c(-c3c(F)cc(-c4cc(ccc4)OC)cc3)n2)ccc1)O	622
+Nc1cccc(OC)c1N	0
+Nc1cc([N+]([O-])=O)cc2CCOc12	31
+Nc1cccc2NCC(Cc12)O	15
+c12c(cccc1NC(N2)=O)NC=3C(C(=O)C=3OCC)=O	1771
+c12OC(C)Cc1cccc2NN	427
+O=S(=O)(Nc1cccc2c(c[nH]c12)C3(CC)c4ccc(cc4CC3)F)CC	1374
+O=S(=O)(Nc1c2ccc(nc2ccc1)Cl)c3ccc(cc3)F	69
+N(Cc1cnccc1)c2cccc3ccc(Cl)nc23	9756
+O=S(=O)(c1cccc(C=CC(OC)=O)c1)Nc2c3c(ccc2)cccc3	69
+N(c1c2cccnc2ccc1)=C=S	1034
+n1[nH]c(nn1)-c2ccccc2Sc3ccccc3N	424
+CCOC(=O)c1c(C)n2c(c(N)ccc2)n1	9757
+c1cc(ccc1-c2nc3c(nccc3)nc2-c4ccc(cc4)C)C	9758
+C(C)OC(c1nc2c(nccc2)n1-c3ccc(c(F)c3)C#N)=O	9759
+c1ccccc1COC(=O)Nc2cccnc2O	950
+c1(cccnc1OCC(C)F)Nc2c3c(C)c(C(=O)OC)sc3ncn2	4359
+Nc1c(I)cnc(Cl)c1Br	583
+c1cc(ccc1-c2nc3ccnc(c3cc2-c4ccccc4)Cl)C5OCCO5	9760
+c1cc(ccc1F)N2C(=O)N=C(C=C2)N	9761
+c1(cnccc1NC(c2cnc3c(Br)cc(Cl)nn23)=O)F	466
+c1c(c(ccc1OC)CNc2ccncn2)OC	811
+c1cc(ccc1C(F)(F)C(Nc2c(scc2)C(=O)N)=O)F	4872
+C1CC(CCC12OCCO2)Nc3ccsc3C(OC)=O	2554
+c1cc(ccc1S(=O)(=O)Nc2ccsc2C(OC)=O)Br	3074
+c1ccccc1-c2ccc(cc2)C(=O)Nc3c(C(=O)OC)scc3	3453
+c1cc(ccc1)S(=O)(=O)Nc2ccsc2C(OC)=O	3074
+c1ccc2c(c1)C(=O)N(C2=O)C3C4C(C(CO4)Nc5nc(ncc5Cl)Nc6cn(nc6)C)OC3	486
+c1cc(ccc1C#N)-c2c(Cl)nc(N)cn2	356
+O=S(=O)(c1cnc(c(Br)c1)Cl)Nc2cncc(Cl)c2O	9762
+c1(c(F)c(ccc1)Nc2ccncc2NC(c3cccnc3F)=O)F	3052
+c1([nH]nc(NC(=O)C)c1)C	195
+C1(=O)c2ccccc2C(=O)N1c3cc([nH]n3)C	1765
+c1c(F)cc(cc1C2=CC(=O)Nc3cc(nn23)C)F	2950
+c1(c(F)cc(cn1)F)CNc2nc(Nc3n[nH]c(C)c3)c(cc2[N+]([O-])=O)F	4873
+O=S(=O)(c1nc(c(c(Nc2cc(n[nH]2)C)n1)F)Cl)C	349
+c1cc(cc(OC)c1F)C(c2nc(c3ccccc3n2)Nc4n[nH]c(C)c4)=O	349
+c1cc(ccc1F)C(=O)c2nc3sccc3c(n2)Nc4[nH]nc(c4)C	9763
+c1cc(ccc1C(c2nc3c(c(Nc4[nH]nc(C)c4)n2)cccc3)=O)F	349
+c1cc(ccc1F)C(Nc2c(cc(F)c(n2)Nc3cc([nH]n3)C)[N+](=O)[O-])C	4873
+FC(F)(c1nc(Nc2[nH]nc(c2)C)c3c(ccs3)n1)c4ccc(cc4)F	9764
+O=S(=O)(N1C2Cc3c(cnc4cc(nn34)C)C1CCC2)c5ccc(cc5)Cl	9765
+Cc1cc(Nc2cc(nc(SC)n2)Cl)n[nH]1	349
+n1c(ccnc1Cl)Nc2cc(C)[nH]n2	349
+n1c(c2cccnc2nc1Cl)Nc3cc(C)[nH]n3	9766
+c12cc(cc(OCCCl)c1c(Nc3cc([nH]n3)CC(=O)O)ncn2)OC	349
+c1c2c(ccc1OCCCCl)c(Nc3cc([nH]n3)CC(=O)O)ncn2	349
+[nH]1nc(cc1)NC(=O)C	195
+C1C(=Nc2ccnn2C1=O)C(=O)OC	9767
+n1(-c2c(Cl)nccc2)nc(cc1)N	9768
+c1(F)cccc(F)c1C(=O)Nc2[nH]ncc2	330
+c12c(cccc1)nc(Nc3[nH]ncc3)n2-c4nc(nc(N)n4)C	9769
+c1cc(ccc1)COC(N2CCC=3C(CC2)C(=O)n4c(ccn4)N=3)=O	1085
+c1ccccc1-c2c(nc(s2)N)-c3ccnc(n3)SC	2713
+c1c(cc(nc1C(=O)Nc2scc(C)n2)C)Br	9770
+C(ON=C(c1n(C)nnn1)c2cccc(SC)c2)c3nc(N)sc3	4874
+c1cc(ccc1)C(=NOCc2nc(sc2)N)c3cncn3C	4874
+Clc1cc(c(c(Cl)c1)Cl)-c2c(N)nc(Cl)cn2	356
+c1cc(ccc1OC(=O)C)C(Nc2scc(n2)SC)=O	548
+c1ccccc1CNc2nccc(c2)-c3c(-c4cc(C)ccc4)nc(N)s3	182
+c1(c(cc2NC(Nc2n1)=O)-c3c(cncc3)Cl)-c4c(cccc4)F	3100
+n1c(N)c(c(nc1-n2nc(Sc3ccccc3F)c4c2cccc4)N)NC(C)=O	1616
+n1c(N)c(c(nc1-n2c3ccccc3c(Sc4ccccc4F)n2)N)[N+]([O-])=O	4803
+Nc1nc(nc(N)c1N)-n2nc(c3ccccc23)Oc4ccccc4F	193
+c1cc(ccc1C(Nc2sc3CCCCc3n2)=O)Br	548
+n1c(O)c([N+](=O)[O-])c(N2CCc3c(CC2)sc(N)n3)nc1C	3698
+c1cc(ccc1)COc2cccc(C=CCN3CCc4sc(nc4CC3)N)c2	2613
+O(Cc1ncccc1)c2cc(C=CCN3CCc4c(CC3)nc(N)s4)ccc2	20
+c1cc(ccc1C(C(=O)Nc2sc3nc(OC)ccc3n2)CC4CCCC4)S(=O)(=O)CC(C)=O	373
+Clc1ccc(c(Cl)c1)-c2cnc(cc2C#N)N	89
+c1(ncc(Br)c(Cl)c1Cl)N	395
+Nc1ncc(Br)c(Cl)c1[N+](=O)[O-]	1026
+c1c(cc(c(N)n1)C#Cc2ccncc2C)Br	2281
+c1cc(ccc1-c2[nH]c3c(ncc(c3)Br)n2)-c4cnco4	2671
+C1C(CC1)c2c(OC)c(c(cc2)-c3cnc(N)c(C#N)n3)F	356
+c1c(N)cc(-c2nc(c(nc2)N)C(NC)=O)cc1	356
+c1c(Br)nc(c(n1)N)C(Nc2cccnc2)=O	1285
+c1cc(ccc1)NC(c2nc(cnc2N)Br)=O	466
+n1cc(Br)nc(-c2[nH]c3c(cccc3)n2)c1N	9771
+Nc1ncc(Br)nc1C(=O)O	1
+c1cc(ccc1-c2nc(c(N)nc2)C(=O)OC)S(=O)(=O)C	356
+c1cc(ccc1-c2cnc(N)c(n2)C(=O)OC)C(=O)N(C)C	356
+c1cc(ccc1)NC(n2c3ccc(cc3cc2)Nc4cc(ncc4C#N)N)=O	179
+c1(cccs1)COc2c(C#N)cnc(N)c2	2009
+Nc1ncc(CCC(=O)O)nc1Br	4
+Clc1ccc(c(-c2cc(cnc2N)Cl)c1)OC	796
+c1c2C(=O)N(C(=O)c2ccc1)c3cc(C)c(C)cn3	1765
+c1(c(ncc(c1)C(=O)OC)N)C#Cc2cccc(NC(c3occc3C)=O)c2	2281
+Nc1c(ncc(c1)C(=O)N)N	13
+Nc1c(ncc(c1)C(=O)OC)N	13
+CCOC(=O)c1cn2c(cc(Br)cc2)n1	1959
+Nc1ncc(Cl)c(Br)c1	395
+Nc1ncc(I)c(Br)c1	583
+c1cc(ccc1-c2cn3c(cc(cc3)Br)n2)OC	440
+N=C(c1ccnc(N)c1)NO	181
+OC(c1ccnc(N)c1)C	74
+c1ccccc1-c2ccnc3c2nc(-c4ccnc(c4)N)[nH]3	2245
+c1c(F)c(-c2cn3ccc(C)cc3n2)ccc1OCCCCl	440
+c1c(cc2c(OC(=CC2=O)c3cn4ccc(C)cc4n3)c1)Br	9772
+c1cc(ccc1-c2cn3c(cc(C)cc3)n2)Br	440
+Nc1ncc(I)c(Cl)c1	583
+Clc1cc(ncc1)Nc2ncc(-c3cncc(C(=O)O)c3)s2	1178
+c1cc([N+]([O-])=O)cc(F)c1Oc2ccnc(N)c2	242
+c1cc(ccc1N)Oc2cc(ncc2)N	242
+c1cc(ccc1[N+]([O-])=O)Oc2cc(ncc2)N	242
+Clc1cc(ncc1)Nc2ncc(-c3cncc(c3)Br)s2	1178
+Nc1ncc(I)c(F)c1	583
+c1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)cc(N)n1	46
+C1CCCCCC=2C(=O)N3C=CC(C(=O)OC)=CC3=NC1=2	9773
+Nc1nccc(c1)C(Oc2ccc(c3c2cccc3)N)C	0
+c1(C(=O)O)cncc(-c2cnc(Nc3c(Cl)cccn3)s2)c1	1178
+c1cc(ccc1-c2nc3c(cccn3c2)Cl)F	440
+c1cc(cc(F)c1C#N)Nc2c([N+]([O-])=O)cccn2	781
+O=S(=O)(Nc1nccs1)c2c(cc(cc2)Br)F	1140
+c1cc(ccc1Br)S(=O)(=O)Nc2sccn2	1140
+c1(F)cccc(F)c1N2C(=O)C=Cc3c(-c4c(C)ccc(C(=O)Nc5sccn5)c4)nc(nc23)SC	900
+n1c(cn2c1scc2)-c3ccc(cc3F)F	2952
+c1cc(ccc1)C(c2cc3[nH]nc(-c4ccccc4)c3cc2)C(C)(C)C(=O)Nc5sccn5	373
+c1ccccc1COc2ccc(cc2)C(C(=O)Nc3sccn3)CC4CCCC4	373
+c1cc(ccc1Oc2cc(cc(C(Nc3sccn3)=O)c2)OC4C(=O)N(C)CC4)-c5oc(C)nn5	900
+c1cc(ccc1)C2(CC(C2)C)c3cc(ccc3-c4nc5n(ccs5)c4)OCc6ccc7cc(ccc7n6)F	2952
+c1ccccc1COc2c(C#N)cc3c(Oc4cc(c(cc4)NC(=O)Nc5sccn5)F)ccnc3c2	9774
+c1cc(ccc1)OC(=O)Nc2nccs2	810
+Nc1ncn(CCCN)c1	51
+c1c(OC)c(c(cc1Cc2sc3c(cccc3)c2S(=O)(=O)Nc4c(Br)c(no4)C)OC)OC	4875
+O=S(=O)(c1c2c(nccc2)sc1)Nc3c(Cl)c(no3)C	4875
+c1n2nc(Br)sc2nc1	9775
+c1ccccc1COc2c3c(cc(Cl)c2)oc(-c4cn5nc(Br)sc5n4)c3	2865
+c1(C=O)nc(N)sc1C(=O)OC	1348
+c1ccccc1COc2c3c(cc(OC)c2)oc(c3)-c4nc5n(c4)nc(C(F)C)s5	2865
+c1cc(ccc1CNC(=O)c2sc(nc2C)N)Cl	454
+c1ccccc1CNC(=O)c2sc(nc2C)N	454
+C(C)OC(c1cn2nc(sc2n1)CC)=O	9776
+c1cc(ccc1)OC(Nc2nnc(CC)s2)=O	810
+c1cc(ccc1CCCCCCCCCCCC)S(=O)(=O)Nc2sc(CCCCCBr)nn2	1140
+c1ccccc1CS(=O)(=O)NC2=CC=C(N(CC(=O)NCC3CCc4c(C3)sc(N)n4)C2=O)C	9
+c12ccc(F)c(c1scn2)Br	3101
+c1cc(ccc1OC(=O)Nc2nc3c(cccc3)s2)[N+](=O)[O-]	810
+Nc1c(cc(C(=O)O)cc1)S	9777
+c1c(ccc2nc(N)sc12)O	5
+c1c2c(ccc1OC)ncs2	3101
+c1cc(ccc1)OC(=O)Nc2nc3c(cc(cc3)SC#N)s2	810
+s1c(C(Nc2nc3c(cccc3OC)s2)=O)ccc1C	9778
+c1(C)cc(C(=O)O)cnc1N2CCCC2COC	4876
+c1(cccc(C(=O)O)c1)NCCC(=O)O	459
+c12c(C)csc1ncnc2C(=O)O	876
+c1cc(ccc1C2CCC(CC2)CCCC=C)-c3ccc(cc3)C(O)=O	872
+c1cc(ccc1Br)-c2oc(C)c(n2)CC(O)=O	459
+c1cc(ccc1Cn2ncc(c2)C)C(c3cc(C(O)=O)cnc3)=O	4876
+c1cc(ccc1C(=O)O)CCCC=C	872
+c1cc(ccc1CN2N=CC(=C(C(O)=O)C2=O)C)OC	9779
+c1cc(ccc1COc2c(c(O)c(cc2)C(C)=O)CCC)C(O)c3cccc(C(O)=O)c3	872
+c1cc(ccc1CCc2ccc(cc2C(O)=O)F)F	872
+c1cc(ccc1F)Cc2nc(ccc2C3CC3)C(=O)O	876
+CC(C)(C(=O)O)c1ccc(cc1)OC	459
+c1cc(ccc1Oc2ccc(C)cc2CC(=O)O)C	459
+c1cc(ccc1)-c2ccc(c(C(O)=O)n2)C	876
+c1ccccc1C(c2ccccc2)N3CC(C3)C(O)=O	459
+c1nc(ncc1)-c2ccc(C)nc2C(O)=O	876
+O(c1c(ccc(C(=O)O)c1[N+](=O)[O-])OC)C	500
+O(c1c(O)cc(CC)c(C)n1)C	4871
+c1(C)cc(ccc1F)C(CC(CC=C)C(=O)O)O	1392
+C1CC(CCC12OCCO2)(c3cccnc3)C(=O)N	645
+c1(Br)cc-2c(cc1)C(C(c3ccc(cc-23)Cl)=O)=O	9780
+n1(CC)cc(c2ccc(cc12)C(=O)OC)C(=O)O	1725
+c12c(cnc(c1cccc2C)OC)C(=O)O	1725
+O=S(=O)(CC)c1ccc(cc1F)C(O)=O	500
+c1cc(ccc1CS(=O)(=O)NC)O	477
+O=S(=O)(c1c(Cl)ccc(c1O)[N+](=O)[O-])NC2CC2	1683
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1O)Cl)NCC	1683
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1O)Cl)N(C)C	1683
+O=S(=O)(C)c1cc(C(O)=O)cc(O)c1	477
+c1cc(ccc1S(=O)(=O)Nc2cccc(C3OC3)c2)-c4ccc(F)cc4F	3594
+O=S(=O)(c1cc2C3C(O3)Cc2cc1)C	9781
+O=S1(=O)CCCN1CC23CC4C(CC(C4)C2)(C(=O)O)C3	9782
+O=S1(=O)c2c(C(C)(C)CC1)c(c(cc2C)C(=O)O)Cl	2199
+O=S1(=O)c2c(C)cc(c(c2C(C(C)(C)C1)=O)C)C(=O)O	2199
+c1c(Cl)c(c(cc1C(=O)O)Cl)Oc2ccc(cc2)[N+]([O-])=O	820
+c1cc(c(F)cc1I)C(=O)O	820
+c1c(Br)c(cc(OC)c1F)C(=O)O	820
+c1cc(ccc1-c2cnccc2)C(O)=O	820
+c1cc(ccc1)-c2ccc(Br)cc2C(O)=O	820
+c1c(nc(c(F)c1)Br)C(=O)O	9783
+c1c(c([N+]([O-])=O)cc2C(CCc12)=O)NC(C)=O	1720
+c1c(NC=2C=3C(=O)N(CC(CO)O)N=C(C=3N(C(=O)C=2Cl)C)c4cccc(NC(C)=O)c4)c(F)cc(I)c1	3248
+c1c2c(CCc3ccccc3C2CC(CO)O)sc1	4877
+c1cc(ccc1CC(O)CO)Br	4877
+OB(O)CCCCn1cnc2c1nc(N)nc2O	9784
+c1(cccc(Cl)c1C(Cc2ccc(Cl)cc2Cl)C(O)=O)Cl	4431
+c1(c(cc(c(n1)-c2occc2)-c3ccncn3)C(=O)O)N	4878
+c1cc(ccc1-c2c(nc(O)c(c2)C(=O)O)-c3ccc(cc3)OC)OC	4878
+c1cc(ccc1OCCCCCCCCCC)-c2ccc(cc2)C(O)=O	4879
+c1ccc(cc1OC)CC2CCCCC2C(=O)O	1588
+c1ccccc1COc2cc(cc3nc(C)n(CCOC)c23)C(=O)O	4879
+S(C)c1ccc(O)cc1Cl	477
+[N+]([O-])(c1cc([N+](=O)[O-])c(F)cc1O)=O	1772
+c1(C(=O)O)cc(cc(N2CCCC2=O)c1)O	477
+c1(CCCC)[nH]c(c(Cl)n1)C(=O)O	9785
+c1(c(OC)c2ccccc2c(c1)OC)CCCC=O	3293
+c1(c(F)c(F)c(C=O)cc1)Oc2ncc(cc2)C(=O)N	4089
+C(O)c1c(F)ccc(Br)c1F	1555
+c1(F)c2c(c(c(C(=O)O)c1)OC)cccc2	500
+Clc1cc(c(cc1C(=O)O)[N+]([O-])=O)O	1772
+c1(OC)cc(ccc1[N+]([O-])=O)O	1772
+Ic1c(F)cnc(O)c1	2273
+c1(ccc(F)c(CC)c1Cl)C(=O)O	2199
+Nc1c(cc(cc1C)Br)C(=O)O	3562
+c12CCC(CC(OC)=O)c1ccc(c2C)C(=O)O	500
+C1Cc2c(c(ccc2)NC(C)=O)C1=O	1720
+c12cc(cc(C)c1ncc(Cl)c2)O	477
+c12c(cccc1)C(=O)N(C2=O)CCCCS(c3cc([N+](=O)[O-])cc(NC(N4CCCC4)=O)c3)=O	4880
+c1c(cc2c(c3C(CCCc3[nH]2)=O)c1)Br	9786
+c12c3c(ccc1cccn2)c(cc(n3)C=O)OCC	2282
+c12c3c(ccc1cccn2)c(OCCOC)cc(n3)C=O	2282
+o1c2c(cc(cc2)-c3noc(-c4ccc(c(OCC)c4)OCC)n3)cc1C(O)=O	9787
+c12ccc(cc1n[nH]c2)O	3472
+c1cc(cc(c1OC)C(=O)c2c(c(-c3cnccc3C)ccn2)F)F	9788
+c1c(Cl)c(c(cc1)Cl)C(=O)c2cc3c(cc2O)C(C(N)=O)=C3	9789
+c1(cc(cc(F)c1C(=O)O)C)F	500
+COc1c(c(cc(c1)F)O)[N+]([O-])=O	1772
+c1(cc(cc([N+](=O)[O-])c1)CCO)[N+](=O)[O-]	4881
+c1c(c(Br)nc(c1)C=O)OC	2282
+c1c(cc(Br)cn1)NC(C(=O)N)c2c(cccc2)Cl	645
+c12C(=O)C(Nc1c(cc(c2)Br)CC)=O	9790
+c1c(cc(cc1Br)O)C(=O)C	4882
+c1c(C(=O)O)cc(cc1Br)O	4882
+C(=O)c1c(cccc1)-c2cscc2	1483
+n1c2c(cc(c(C)c2)O)ccc1	2608
+c1c2c(c(nc(n2)Cl)O)ccc1OC	1173
+O=Cc1ccc(c2c1cccc2)CBr	1295
+c1c(I)cc([N+]([O-])=O)c(c1)C=O	1483
+Oc1c(cccc1)CC(c2sccc2C)N(C=O)C	477
+O=C(O)c1c(Sc2ccccc2O)cc([N+]([O-])=O)cc1	477
+Clc1cnc(cc1)COC2=CC(=O)[NH+]([O-])C=C2	9791
+Clc1cnc(cc1)COC=2CC(=O)[N+](=CC=2)[O-]	9792
+c1cc(ccc1)-c2ncc(cc2C=3C=CC(=O)N(C(C)C)N=3)C(=O)O	9793
+c1cc(ccc1)-c2c(CS(=O)C)c(c3c(cccc3)n2)C(NC(CC)c4ccccc4)=O	9794
+c1cc(ccc1)-c2cc(F)c(cc2)C(=O)O	500
+c1ccccc1-c2cccc(N)c2C(=O)N	1079
+c1cc(ccc1)-c2onc3c(CC(N)=O)cccc23	645
+c1ccccc1CC(O)C(=O)O	2631
+[N-]=[N+]=NC(CCCCOCc1cc(C)c(F)cc1)C(=O)O	9795
+c1cc(ccc1NC2(CCN(CC2)Cc3ccccc3)C(=O)N)F	645
+C1CN(CCC1(CO)O)Cc2ccccc2	9796
+c1cc(ccc1)COc2c(c(cc(O)c2)OC)[N+]([O-])=O	1772
+c1cc(ccc1C(O)=O)Oc2cc(cc(c2)OCc3ccccc3)C(OC)=O	500
+CC(C)c1n(Cc2ccccc2)c3cc(OC)ccc3c1C(=O)O	1725
+CC(C)c1n(Cc2ccccc2)c3c(ccc(C(OCC)=O)c3)c1C(=O)O	1725
+c1cc(ccc1-c2nc(N)c(C(=O)O)nc2C=3C=CC(=O)N(C(C)C)C=3)OC	4344
+c1cc(ccc1-c2oc3c(n2)c(C=O)ccc3)Cl	9797
+c1cc(ccc1-n2nccc2)Cc3c(C)c(C)c(C=O)c(C(OC)=O)c3	9798
+c1cc(ccc1C)C(Nc2cncc(Br)c2)C(N)=O	645
+c1cc(ccc1Br)C(C)(C(O)=O)N	4703
+c1cc(ccc1O)C2C(C(OCC)=O)N(C(=O)C2)C	477
+c1cc(ccc1C2=NCc3onc(C)c3-c4ccnc(O)c24)Cl	2273
+c1cc(ccc1CC(C(OC)=O)=C(C(=O)OC)C(C)C)C(=O)O	500
+c1cc(ccc1C=O)CC(O)=O	1483
+c1cc(ccc1CC(C(OCC)=O)OCC)CCO	4881
+c1cc(ccc1Cc2c(nn3c2nc(cc3C)C)CC)O	2608
+O=S(=O)(C)N(c1cc2nn(-c3ccc(cc3)Cl)c(C(=O)NC)c2cc1C4CC4)CCCC5CO5	9799
+c1cc(ccc1N2C(C(=Nc3c2cccc3)C(=O)N)=O)Cl	9800
+c1cc(ccc1F)C(=O)C2CCN(CC2)CCCCN3C(c4ccc(cc4NC3=O)[N+]([O-])=O)=O	9801
+c1cc(ccc1-n2nncn2)O	477
+c1cc(ccn1)C(c2c(ccc(Cl)c2)N)=O	9802
+c1cc(ccc1C#N)N2CC(C(=O)O)OC2=O	4670
+c1cc(ccc1OC(=O)C=CC)C(=O)O	500
+O=C(OCC)Cc1c2nc(ccc2ccc1Cl)C=O	2282
+c1cc(ccc1)-c2sc(C(=O)N)c(c2)N	9803
+c1ccccc1C(c2ccccc2)(C3CCNC3)C(=O)N	645
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)SCC(CC(CCCCCCC)C(O)=O)O	1392
+c1ccccc1C=2CCN(CC=2)CCCCc3c4c(ccc(C(N)=O)c4)[nH]c3	1079
+c1ccccc1C=2CCN(CC=2)CCCCc3c4c(ccc(C(=O)O)c4)[nH]c3	9804
+c1cc(ccc1)COC(c2[nH]c(C(=O)O)cc2)=O	9805
+c1ccccc1COc2ccc(cc2)C(N)=O	1079
+c1ccccc1COc2ccc(cc2F)-n3c4cc(F)cc(O)c4cn3	9806
+c1ccccc1COc2c3c(ccc2)c(O)cc(n3)C	4347
+c1cc(ccc1)S(C(c2c(ccc3c2cccc3)OC)CNC=O)=O	4880
+c1c2c(nc(nc2n(c1)C)Cl)O	4585
+c1c2c(nc(nc2cnc1)Cl)O	1173
+c12n(CC(=O)O)cnc1ccc(c2Cl)F	3402
+n1c(cn2c(cnc2c1SC)Br)C(=O)N	2782
+c1(c(Cl)nc(C)nc1O)C	1173
+n1c2c(c(O)nc1CCCC)cc(cc2)CO	1555
+n1ccc2c(nc(Cl)nc2c1-c3cc([N+]([O-])=O)ccc3)O	1173
+c1nc(ncc1)-c2cnc(cc2)O	2273
+c1(c(N)c(C)cc(-n2ncnc2)c1)C=O	1295
+n1sc2c(c1-c3cc(CO)ccc3)ncnc2O	1555
+C(c1sc(cc1)CCCCCC)(=O)O	3451
+COC(=O)C(C(OC)=O)c1ccc(cc1[N+]([O-])=O)-c2ccc(cc2)OC	11
+c1cc(ccc1)OC(=O)Nc2cc(c(C(CO)CO)cc2)F	9807
+O(C)C(=O)C(C(OC)=O)c1ccc(N)cc1F	0
+O(C(=O)C(C(OCC)=O)(Cc1ccc(cc1)N)C)CC	0
+c1cc(ccc1Br)CC(C)C(=O)OCC	2283
+C(OC(CCC(c1cccc2OCOc12)CCCCC)=O)C	4883
+C(O)C(CO)Cc1cccc(Cc2nc(oc2C)-c3ccc(cc3)C)c1	1257
+C(Cc1cc(ccc1[N+]([O-])=O)F)(OCC)=O	976
+c1cc(ccc1)COc2cc(CC(=O)OCC)cc(F)c2	976
+C(Cc1cc(C)ccc1[N+]([O-])=O)(OCC)=O	976
+c1cc(ccc1CCC(C(=O)OCC=C)CCC2(CC2)CC(OCC)=O)C(=O)OC	9808
+c1cc(ccc1)COc2c(c3c(cccc3)cc2)C(C(=O)OCC)O	22
+c1cc(ccc1Br)C(COC(C)=O)CO	9809
+c1cc(ccc1Cc2cc(Br)ccc2Cl)COC=C	9810
+C1=CC=C(C)N2C(C(Br)=C(N=C12)CO)=O	2502
+c1c2cccnc2c(CO)cc1	59
+C(=O)(OCC)c1nc(C#N)c2c(c(cn2Cc3ccc(F)c(F)c3)Cl)c1OC(=O)C	573
+c1cc(ccc1F)CNC2C(CCCC2)C(OC)=O	42
+c1cc(ccc1Cl)S(=O)(=O)NC2CCCCCC2C(OC)=O	71
+C1(C(CN(CCSc2c(ccc(F)c2)F)CC1)C(=O)O)CCC(=O)c3c4c(ccc(OC)c4)ncc3F	4
+c1(nc2c([nH]1)cccc2)CC(=O)OCC	9811
+C(CCCCC(O)C)(OC)=O	100
+C(O)CCCCC(=O)N(CCCCCCC)CC	95
+c1cccc(-c2cnc(CCCCC(OC)=O)o2)c1OC	4657
+c1cccc(-c2noc(CCCCC(OC)=O)n2)c1OC	2383
+C(CCCC(=O)O)CCC1C(CCC1OC2CCCCO2)C=O	4
+O(C(=O)CCCCCCCNC(=O)c1c(C)[nH]c(C=NN=C2c3c(ccc(F)c3)NC2=O)c1C)C	56
+c1cc(ccc1CN2c3c(N(C2=O)CCCCCCCC(=O)OC)cccc3)Cl	9812
+O=C(NCCCCCCCC(=O)O)c1c(C)[nH]c(C=NN=C2c3c(ccc(F)c3)NC2=O)c1C	4
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(NCCCCCCC(OC)=O)=O	14
+C(CCCC)C(CCC1CCCC(=O)N1CCCCCCC(OC)=O)O	460
+C1(N(C(=O)CCC1)CCCCCCC(OC)=O)C=CC(=O)CCCCC	1278
+N1(CCCC(=O)O)c2ccccc2C(NC1=O)=O	3
+c1cc(c(-c2coc(n2)CCCC(OC)=O)cc1)N	0
+c1cc(ccc1Cn2nc(c(CCC(OCC)=O)c2)OCC)OCc3csc(-c4ccccc4)n3	1944
+O(C)CCCc1cncn1Cc2ccccc2Br	21
+c12cnc(NC)cc1nc(C)c(-c3cc(NC(OC(C)=C)=O)c(F)cc3F)c2	2922
+c1cc(ccc1OC)N(C)c2nc(CNC(=O)OC(C)Cl)nc3c2cccc3	101
+c1cc(cc(Cl)c1)C2(c3cc(Cl)ccc3)C4C(C(=O)CC2)CN(C4)C(=O)OC=C	9813
+O=S(=O)(C)OC1CN(C(OCC=C)=O)C(COCCO)C1	66
+c1[nH]c2c(cc(cc2)NC(OCC=C)=O)c1CCNC(C)=O	90
+c1cc(ccc1OC)CSc2nc(C3=CCN(C(C3)CO)C(=O)OCC=C)cs2	9814
+Clc1ccc2oc(nc2c1)NCC3N(C(OCC=C)=O)CCCC3C	1527
+O=C(c1cc(-c2ccccn2)c(cc1Cl)Cl)O	1
+n1c([nH]c2ccccc12)C(O)=O	1
+c1([N+]([O-])=O)cccc(C(O)CO)c1	59
+c1ccccc1C(c2ccccc2)C(=O)N(CC)CC=CCOC(C)=O	2046
+c1[nH]c2nc(SC)nc(Cl)c2c1CCO	59
+c1cc(ccc1N2C(C)c3c(N(C2=O)c4cccc(C#N)c4)nc(nc3)Nc5cccc(CCOC(C)=O)c5)OC	55
+O(C(C)=O)CCc1cccc(N)c1	0
+O=S(=O)(C)OCCc1csc(CCOC(=O)C)c1	7
+c1([N+]([O-])=O)ccc(NC(C)=O)c(c1)O	173
+c12C(NC(=O)c3cc4c(cn3)cccc4)(C(=O)N(c5c(cccc5)F)c1cc(OC)cc2)CCC(O)=O	4
+O(C(CCCCC(c1sc(cc1)Cl)=O)=O)CC	9815
+C(CCCC(=O)c1c2ccccc2c(cc1)F)C(=O)OCC	214
+c1(nn(cc1)CCCCCCC(OCC)=O)-c2ccccc2O	338
+c1c(c(-c2nn(cc2)CCCCCCC(=O)O)ccc1)OC	3
+O(C(CCCCCNc1c(cnc2ccccc12)N)=O)CC	13
+c1ccc(OCCCC(OCC)=O)c(N)c1	0
+c1c(cc2c(c1)nc(cc2OCCCOc3c(nc(N)nc3N)CC)C)OCCCC(=O)O	3
+c1cccc2c(cccc12)Cn3c(nc4ccccc34)SCCCC(=O)OCC	1947
+c1(cc(cc(I)c1O)C(=O)c2c3ccccc3oc2CCC(OCC)=O)I	3102
+O(C(CCc1nc(ccc1O)CCCCC(=O)OC)=O)C	587
+c1cc(ccc1C=CCCCCOc2c(CCC(OC)=O)nc(CCCCC(OC)=O)cc2)OC	458
+O=S(=O)(C)CCC(Cc1cc(C#N)ccc1)(NC(OC)=O)C(=O)OC	991
+c1c(N)c(cc(OCC)c1OCC)C(OCC)=O	0
+O(C(c1ccc(Cn2c(CCCC)nc(Br)c2C=NO)c(F)c1F)=O)C	2513
+Fc1cc(C(Nc2cc([nH]n2)C(O)=O)=O)c(C)cc1F	6
+Fc1c(cc(c(c1)C(Nc2cc([nH]n2)C(O)=O)=O)Cl)F	6
+OB(O)c1c(SC)cc(cc1)F	422
+OB(O)c1c(F)cc(OC)c(OCC)c1	2284
+OB(O)c1c(CC)cc(cc1CC)-c2ccc(cc2)Cl	422
+OB(O)c1cc(F)cc(F)c1SC	422
+OB(O)c1cc(Br)ccc1C	2284
+O(C)B(OC)c1ccc(c(c1)OC)F	2159
+OB(O)c1cc(CC)c(cc1)OC	422
+c1cc(ccc1)-c2cc(ccc2B(O)O)OC	422
+c1cc(ccc1)COCC(c2ccc(B(O)O)cc2C)CF	422
+OB(O)c1c(OC)cc(cc1OCc2ccccc2)-c3oc(cn3)C	422
+c1cc(ccc1)Cc2cc(ccc2OC)B(O)O	422
+c1ccccc1C#Cc2ccc(cc2)B(OC)OC	2159
+O(C)B(OC)c1ccc(cc1)SC	2159
+OB(O)c1ccc(-c2ccc(cc2)CCCCCCCCC)nc1F	9816
+OB(O)c1ccc(cc1)CCCCCCCCC	422
+c1cc(ccc1-c2ccc(c(B(OC)OC)c2)Br)Cl	4369
+c1cc(ccc1F)-c2cc3c(OCO3)cc2B(O)O	422
+c1cc(ccc1CCCCCCCC)B(O)O	2284
+OB(O)c1ccc(cc1)OCC2CC2	2284
+COB(OC)c1ccc(OCCCCCC)nc1	9817
+c1ccccc1-c2ccc3n-4c5c(cc(cc5c3c2)-c6ccccc6)C(C)(C)c7cc(ccc-47)B(O)O	422
+c1ccccc1COc2c(cc(O)cc2CC)C	9818
+c1cc(ccc1)COc2cc(B(O)O)ccc2OCc3ccccc3	422
+OB(O)c1cc(c(F)cc1)Oc2ccccc2	422
+CC(C)c1c(cc(OC)c(B(OC)O)c1)F	493
+COB(O)c1cc(c(F)cc1)OC	493
+c1cc(ccc1SC)B(OC)O	493
+CC(C)(CC(=O)OC)c1ccc(o1)C	9819
+c1cc(ccc1)COc2cc(CC(OC)=O)cc(c2)Cl	1540
+O(C(=O)C(C(OC)=O)c1ccc(NC(=O)Oc2ccccc2)cc1F)C	90
+Clc1cc(CO)cc(c1)C(=O)OC	98
+C1CN(CCN1C(=O)Nc2c(cccc2)C(OC)=O)Cc3ccccc3	326
+O=S(=O)(N(c1ccccc1)C)c2cc(N3C(=O)c4c(cccc4)NC3=O)c(Cl)cc2	9820
+Cc1c(Br)cc2c(nc(o2)C)c1	2794
+c1cc(ccc1)Oc2c3c(c(c(n2)C)C)n(CCCCCCl)c(C)n3	730
+C1(C(c2cc(ccc2N1C(=O)C)C(=O)C)=C(OC)CCCC)=O	9821
+c1cc(ccc1-c2nn3C(NC(CCCC)=Nc3c2)=O)F	9822
+c1ccccc1C(CCCCCn2c3c4ccccc4ncc3nc2CCCC)=O	730
+c1ccccc1OCCn2c(CCCC)nc3cnc4c(cccc4)c23	730
+c1cc(ccc1)-c2nc(cc(Cl)c2)NC(CCC(=O)c3ccc(OCC)c(c3)OCC)=O	9823
+c1c(OC)c2c(c(C(=O)C(C)C(OC)=O)c1)ccc(CC)n2	1985
+c1cc(ccc1)COc2cccc3c2CCC(C(OC)=O)C3=O	1985
+c1cc(ccc1C(CC(=O)OC)=O)F	3963
+c1c2c(ccc(c2cnc1O)F)Br	4551
+O(C)C(OC)C(=O)NCc1c(ccc(Br)c1)F	248
+c1cc(ccc1)CSC(C(OC)OC)CN	157
+O(C)C(OC)C1(Oc2c(c(C)c(c(c2C)C)OCc3ccccc3)CC1)C	22
+O=S(=O)(C)c1cc(F)c2COC(Oc2c1)CBr	4884
+O1C(CBr)Oc2cc(cc(c2C1)F)Br	4884
+COC(OC)Cn1ncc2cc(ccc12)Oc3c(cc(cc3)F)C#N	1090
+COC(OC)COc1ccc(cc1)-c2nc3c(cc(C4=NNC(=O)CC4CC)cc3)o2	8
+c1cc(ccc1F)OCC(OC)OC	8
+COC(OC)Cn1ncc(c1)[N+](=O)[O-]	338
+n1c(C)ccc(c1F)C2=CN(C(NC2=O)=O)CCC=O	571
+n1n(cc([N+]([O-])=O)c1)CCC=O	571
+O(C)C(OC)CCn1nc2cc(ccc2c1)N	0
+c1cc(ccc1Oc2ccccc2)NC(=O)Nc3ccc4cn(nc4c3)CCC(OC)OC	124
+CC=CCN(CC=O)C(OCC)=O	571
+c1(sc(nn1)N2C(OC)CN(C2=O)C)C(C)Oc3cc(c(Cl)cc3)Cl	9824
+O(C)C(OC)CN(C1CCCCC1)C(CCOCCc2cc(ccc2)C=O)=O	1937
+O(C)C(OC)CN1C(C(NCc2cc(ccc2)Cl)=O)=C(C(=O)C(N)=C1)OCc3ccccc3	9825
+O(C)C(OC)CN1C(=C(OCc2ccccc2)C(=O)C(C(O)=O)=C1)C(NCc3cc(ccc3)Cl)=O	127
+c1ccccc1COC(NC2c3n(-c4c(cccc4)CC2)ccn3)=O	9826
+O(C)C(OC)CN(C(Nc1nnc(s1)C(Oc2cc(Cl)c(cc2)Cl)C)=O)C	1110
+CC(C)CC(C(=O)NCC=O)CS	571
+O(C)C(OC)CNC(=O)C(CC(C)C)CS	1113
+c1c2c(C)ccc(F)c2oc1	9827
+c1cc(N2N=C(C(=O)OC)C(=O)C(=C2)OC)c(F)cc1I	1181
+c1(c(Br)cccc1N2N=C(C(=O)OC)C(=O)C(=C2)OC)F	1181
+CN(C)C=C1C(=O)CCCC1=O	2509
+O=S(=O)(c1n(C)nc2cccc(O)c12)N=CN(C)C	9828
+CN(C)C=CC(=O)c1scc(Br)c1	277
+CN(C)C=CC(=O)c1c(cc(c(c1)Br)C)NC(C)=O	277
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	3964
+Clc1cc(cc(Cl)c1)C(C=CN(C)C)=O	277
+CN(C)C=NC(=O)c1cccc(Br)c1	2098
+CN(C)C=CC(c1cccnc1)=O	277
+CN(C)C=Nc1c(ccc(n1)C)C#N	9829
+CN(C)C=CC(=O)c1cccc([N+]([O-])=O)c1	277
+CN(C)C=CC(c1ccc(Cl)c(c1)CNC(C)=O)=O	277
+CN(C)C=C(C(OCC)=O)C(=O)c1c(cccc1)Cl	9830
+CN(C)C=CC(=O)c1cc(C)ccc1	277
+CN(C)C=CC(c1ccc(cc1[N+](=O)[O-])Br)=O	277
+c1cc(ccc1)C2=NN(C(C2=CN(C)C)=O)c3nc4ccc(cc4s3)Cl	2163
+c1cc(ccc1Br)C(=O)C=CN(C)C	277
+c1cc(ccc1OC)C(=O)C=CN(C)C	277
+CN(C)C=CC(=O)c1ccc(cc1)C(=O)NCc2cc(ccc2)OC	277
+c1cc(ccc1-c2nc3ccc(cn3c2)I)C(C=CN(C)C)=O	277
+CN(C)C=CC(=O)c1ccc(cc1)C(OC)=O	277
+c1cc(ccc1C(=CN(C)C)C(c2c(cc(cc2)Cl)Cl)=O)C	1773
+c1cc(ccc1C)S(=O)(=O)N(CC)c2cccc(C(=O)C=CN(C)C)c2	277
+c1cc(ccc1C(=CN(C)C)C(c2c(cc(cc2)Cl)Cl)=O)F	1773
+c1cc(ccc1C(=CN(C)C)C(c2c(Cl)cc(Cl)cc2)=O)Cl	1773
+CN(C)C=C(c1ccc(cc1)Cl)C(=O)c2c(Cl)cccc2	1773
+c1cc(ccc1F)-n2ncnc2-c3ccc(cc3)N=CN(C)C	2275
+CN(C)C=C(c1ccncc1)C(=O)c2ccc(cc2)OCc3nc4cccnc4cc3	1773
+CN(C)C=CC(=O)c1ccncc1	277
+CN(C)C=C1C(CCc2c1cccc2)=O	9831
+CN(C)C=C1C(N(c2sc3c(cccc3)n2)N=C1c4ccc(c(Br)c4)C)=O	2163
+CN(C)C=C1C(=O)N(c2sc3c(cccc3)n2)N=C1c4cccc(I)c4	2163
+c1ccccc1-n2ncc3C(N(c4ccc(cc4)Cl)C(c5ccc(cc5)C(C=CN(C)C)=O)=Nc23)=O	277
+c1ccccc1C(O)c2cc(C(=O)C=CN(C)C)ccc2F	277
+c1ccccc1COc2cccc(c2)-c3nc(N4CCOCC4)c(c(C=CN(C)C)n3)[N+]([O-])=O	9832
+c1ccccc1COc2cc(c(N3N=C(C(C(OC)=C3)=O)C(=O)OC)cc2)F	1181
+CN(C)C=CC(=O)c1cncnc1	277
+O=C(O)c1cc2c(c(F)c1Nc3ccccc3F)nco2	2577
+c1nc2c(cc(Cl)c(Cl)c2Cl)[nH]1	9833
+COC(OC)c1ccc(cc1OC)OCCCN=[N+]=[N-]	1416
+C1(c2cccc3cc(-n4cnnn4)cc(C(N1CCCC(=O)O)=O)c23)=O	1441
+c1(CC(=O)OCC)c(cccc1)-n2nnnc2	1441
+n1nncn1-c2cc(-c3ccccc3OC)cc(C(=O)OC)c2	1441
+n1c(c(ccc1)OC)-c2cc(-n3nnnc3)cc(c2)C(=O)OC	1441
+n1c(ccc(-n2nnnc2)c1)F	9834
+O(C)C(OC)c1ccc(c(c1)F)[N+](=O)[O-]	1416
+c1(Cl)c(cccn1)C(=O)OC	4654
+O(C)C(OC)c1c(Br)cnc(Cl)c1	1416
+c1cc(c(cc1CN2C(c3cc([N+]([O-])=O)ccc3N=C2)=O)Cl)Cl	9835
+Clc1c(Br)cc2c(c1)nco2	2577
+c12cc(Cl)c(cc1nc[nH]2)Sc3cc(C)ccc3	9836
+COC(OC)c1cccc(-c2nc(Cl)ncc2)c1	1416
+c12c(C(C(=O)N=C1O)=COC)cc(cc2)Br	9837
+c1cc(ccc1)COc2nc3c(cc2)[nH]cn3	9838
+c1cc(ccc1-c2nocn2)Oc3cc(cc(c3)OC(C)COC)C(=O)Nc4nn(C)cc4	3912
+COC(OC)c1ccc(cc1)C=CC(=O)O	1416
+c1cc(ccc1OCC)-n2cnc3cnc(Nc4cnn(c4)CCn5nccc5)nc23	2853
+c1cnccc1-c2c(-c3ccc(cc3)F)c4n(cnn4)c(NC(C)(C)c5ccccc5)n2	9839
+c1cc(ccc1-c2c(cc3c4n(cnn4)ccc3n2)-c5ccccc5)C6OCCO6	9840
+c1ccccc1C(CCCCCn2c3c(cnc4c3cccc4)nc2)=O	9841
+c1ccccc1CN2CCC(CC2)n3cnc4cccnc34	9842
+c1ccccc1Cn2c3cc(ccc3nc2)Br	9843
+COC(OC)c1c(CN(C(C)=O)CCN(C)C)cc2CCCNc2n1	58
+Clc1cccc(c1)-c2nc(Nc3c(ccc(C=O)c3)[N+]([O-])=O)sc2C(=O)N	1054
+c1cc(ccc1CO)C=O	1054
+O(C)C(OC)c1nc2c(cc1CN3CCN(C)CC3=O)CCCN2C(=O)Nc4ncc(c(c4)OC(C)C)C#N	2792
+CC(C)Oc1c(cnc(NC(=O)N2c3c(CCC2)cc(c(C=O)n3)CN4C(CN(C)CC4)=O)c1)C#N	4552
+O=C(c1cccc(OCc2cc3c(OCO3)cc2)c1C(O)=O)O	1
+c1c2c(c(C(=O)OC)ccc2)ncc1O	9844
+c1(cccc(C(OC)=O)n1)C(=O)O	1
+S1c2c(cccc2)C(N=C1c3nc(SCCCCC)ccc3)=O	2767
+c1cc(ccc1[N+](=O)[O-])-c2csc(-c3c(C)sc(c3)C(=S)OC)n2	9845
+c1cc(ccc1C2COCCC2=O)C#N	9846
+ClC1=NC=C(C(N1C)=O)O	9847
+COC1CCN(c2ccc([N+]([O-])=O)cn2)C1	43
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(C(N5CCC(OC)C5)=O)ccc4c(S(C)=O)c3	30
+C1=CC=C(C(=S)N1CCCC)O	3668
+N1(C=C(Br)C=C(C1=O)O)C	2285
+O(C)C=1C(=S)N(C=CC=1)CCCC	9848
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCNC(C4)CCOC	3935
+C(CCO)c1cncn1Cc2ccccc2Br	88
+c1(C(=O)O)c2c(nc(NC(c3cc(ccc3)C#N)=O)n2CCCOC)ccc1	1
+c12ccn(CCCOC)c1CC(c3c(Cl)cccc3)C4C2C(=O)NC4=O	4885
+O(CCN(CCOC)c1ccc(cc1[N+](=O)[O-])C(O)=O)C	34
+c1cc(ccc1)COC(CN(CCOC)CCOC)=O	303
+O(C)CCOC(=O)Nc1cccc(CO)c1	90
+c1(cc(ccc1)NC(=O)OCCOC)C=O	39
+c1c(N)cc(cc1)OCCOC	0
+C(COc1cccnc1)O	88
+c1c2n(ccn2)ccc1OCCOC	1935
+c1(occ(CO)n1)COC	9849
+c1c(OC)c(I)ccc1C#C	9850
+c1cc(ccc1C(C)(C)C#C)F	1596
+CO[Si](OC)(OC)CCCc1ccc(c(c1)OC)OC(C)=O	9851
+[nH]1c(cc2ccccc12)-c3nc(ccc3O)Cl	390
+c1(c(-c2sc3c(cccc3)n2)ccc([N+]([O-])=O)c1)O	5
+c1(OC)c(scc1C#N)-c2ccc3c(c2)CCCC3	268
+O(C)c1c(C(O)C)cc(Cl)c(C)c1Br	74
+COc1c(Br)c(c(Cl)cc1C(C)N2c3c(c(ncn3)N)C(C=C2)=O)C	9852
+c1(cc(Cl)c(F)c(Br)c1OC)C(C)Nc2c(c(ncn2)N)C#N	40
+O(C)c1c(Cl)cc[n+]([O-])c1C	341
+C(c1c(OC)c(cc(C(=O)OC)c1)OC)CC=O	24
+O(C)c1c(Cl)cc(c(F)c1[N+](=O)[O-])CO	41
+C(OP(OCC)(=O)Cc1cc(c(c([N+](=O)[O-])c1F)OC)Cl)C	590
+c1c(OC)c(cc(c1)C(=O)C)F	94
+c1(O)c(F)ccnc1Br	390
+O(C)c1c(N)c(F)cc(Cl)c1[N+](=O)[O-]	106
+c1cc(NC(CC(Nc2ccccc2OC)=O)=O)cc(c1Oc3ccnc4cc(sc34)-c5ncn(CCC)c5)F	4375
+O(C)c1c(NC(C)=S)cccc1	2718
+COc1cccc2sc(C)nc12	9853
+O(C)c1c(NC(OCC)=O)c(F)cc(c1N)Cl	0
+O=Cc1c(c(c(c([N+]([O-])=O)c1)O)O)Cl	5
+c1(OC)c(c(cc(c1CO)[N+](=O)[O-])OC)OC	41
+c1(c(cc(F)c(F)c1)OC)O	5
+O(c1c(c(ccc1O)OC)OC)C	2286
+c1c(CC=2C(=O)C(OC)=C(C(=O)C=2C)OC)c(c(C(=O)O)cc1)OC(C)=O	1450
+C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC	460
+O=S(=O)(c1cccc2cccnc12)n3cc(-c4ccc(c(c4)OC)OC)c5ccccc35	9854
+c1ccccc1CC(=O)N2N=C(c3ccc(c(OC)c3)OC)CC2	9855
+c1cc(ccc1)COc2c(cc(cc2C)C#Cc3cc(cc(c3C=O)OC)OC)C	455
+COc1cc(cc(OC)c1)C=C(C(OC)=O)c2ccc(cc2)Oc3ccc(cc3)C=O	46
+COc1cc(cc(OC)c1)C2=C(C#N)C(=O)Oc3c2ccc(N)c3	9856
+c1c(OC)cc(cc1C(O)c2cc(OC)ccc2)OC	257
+O(c1cc(cc(OC)c1)C=C(c2ccc(cc2)O)C(=O)O)C	3006
+c1c(OC)cc(cc1CCN)OC	157
+c1c(OC)cc(cc1NC(c2c(cccc2F)F)=S)OC	581
+O(C)c1cc(cc(OC)c1)Nc2nc(Nc3c(cccc3)S(=O)(=O)C)c(cn2)C(=O)O	6
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)Oc3cc(OC)cc(OC)c3	1505
+c1(OC)cc(cc(OC)c1C)C#N	274
+c1c(OC)c(c(cc1-c2c(C(Nc3c(cccc3)-c4sc(cc4)CC(=O)OC)=O)cccc2)OC)OC	50
+C1CN(CCC12OCCO2)Cc3ccnc(-c4cc(OC)c(c(OC)c4)OC)c3	171
+O(c1cc(cc(OC)c1OC)-c2nccc(CN3C(c4c(cccc4)C3=O)=O)c2)C	9857
+c1(OC)cc(cc(OC)c1OC)-c2cc(CO)ncn2	453
+c1cc(ccc1)C(=O)Nc2c(N=Cc3cc(OC)c(c(c3)OC)OC)ccc(N4CCCC4)c2	457
+c1cc(ccc1)C(Nc2cc(ccc2N=Cc3cc(OC)c(c(c3)OC)OC)C)=O	457
+c1(cc(cc(OC)c1OC)C=C(c2ccc(cc2)F)C(O)=O)OC	3006
+COc1cc(cc(OC)c1OC)C(c2cc3c(cccc3)s2)O	2991
+COc1cc(cc(OC)c1OC)C=CC(=O)OC	9858
+c1(OC)cc(cc(OC)c1OC)Nc2ccc(c(NC(C)COC)c2)C#N	230
+O(C)c1cc(cc(OC)c1OC)NC(=O)Cc2cc(NC(=O)c3c(-c4c(cccc4F)F)noc3C)ccc2	2965
+O(C)c1cc(cc(OC)c1OC)Nc2nnc(cn2)C(C)NC(=O)c3cccc(c3)Br	14
+c1c(OC)c(c(cc1Nc2ncc3n(c(nc3C)-c4cccc(Br)c4)n2)OC)OC	9859
+c1(OC)cc(cc(OC)n1)C=CC(OC)=O	9860
+c1ccc(cc1C(c2cccc(c2)OC)=CC3CCNCC3)OC	3039
+O(C)c1cc2CCC(Cc2cc1)c3c(NCC)cc(OC)cc3	15
+O(C)c1cc2N=C(N(C(=O)c2cc1OC)c3ccccc3Cl)CSc4ncnc5[nH]cnc45	3031
+c1(cc(OC)cc(c1C(O)=O)OC)N	4886
+c12cc(OC)cc(c1c(ncn2)Nc3cc(Cl)c(F)cc3)O	5
+O(C)c1cccc(OC)c1-c2cc(nn2CC(C)C)C(=O)O	6
+O(C)c1ccnc(C=O)n1	2287
+n1c2ccc(C#N)cn2c(-c3nc(ccn3)OC)c1	4887
+n1c2ccc(cn2c(-c3nc(ccn3)OC)c1)F	4887
+c1cc(ccc1)Nc2nccc(OC)n2	55
+O(C)c1cnc(c(Cl)n1)CO	1125
+n1c(cnc(Cn2ccnc2-c3cccc(F)n3)c1Cl)OC	2238
+c1(nc(nc(OC)c1)NC(NS(=O)(=O)c2c(C(=O)OC)cccc2)=O)OC	1722
+O(C)c1nc(nc(OC)c1N)NCCC(=O)OCC	193
+n1c(OC)c(c(nc1NCCS(=O)(=O)NC(C)C)OC)N	193
+c1cc(ccc1-c2ncc(OC)c(OC)n2)F	345
+n1c(c(cc(Br)c1)-c2c(N)cnc(OC)c2)F	3103
+Clc1ccc(c(c1)-c2cc(ncc2OCC)OC)C#N	1164
+O(C)c1ncc(c(CO)c1)F	49
+O(C)c1ncc(c(c1)C=O)F	39
+c1(c(cc(nc1)OC)C=CC(OC)=O)F	530
+c1c2c(cnc1O)[nH]c3c2cc(cn3)OC	104
+CCOC(=O)C1C2C1Cc3cc(O)ncc23	104
+c1ccccc1NC(c2ccnc(OC)c2)=O	67
+c1cc(ccc1Cc2c(OC3C(OC(=O)C)C(OC(=O)C)C(OC(C)=O)C(COC(=O)C)O3)cccc2)C(=O)N	9861
+O=S(=O)(N(OC)C)c1c(Cl)ccc(NC2=C(OCC)C(=O)C2=O)c1O	1771
+C=1(C(C(=O)C=1OCC)=O)Nc2ccc(C#N)cc2CC	1771
+c1cc(cc2c(ncnc12)Nc3cccc(c3)Br)NC=4C(C(=O)C=4OCC)=O	1771
+O(c1ccnc(O)c1)C	3045
+c1c(NCCOCCOCC#C)c(ccc1)[N+]([O-])=O	205
+c1(cc(c(OCC#C)c(C)c1)OC)C(=O)O	9862
+C1Cc2c(c(c(c(c2CC(=C)C)O)C)C)N1C=O	1625
+C(C)OCC(Nc1c(nc2c(cccc2)c1NCC#C)Cl)=O	308
+c1cc(ccc1F)-c2cc(CNc3c4c(ncc3NC(=O)COCC)cccn4)on2	308
+c1cc(ccc1F)-c2cc(CNc3c4ccccc4nc(Cl)c3NC(=O)COCC)on2	308
+C(C)OCC(=O)Nc1c(c2c(cccc2)nc1)Cl	308
+c1ccccc1CN(Cc2ccccc2)c3nc(c(C)c4c3nc(COCC)n4CC5(CCCCC5)O)C	546
+c1cc(ccc1)Oc2nc(c(C)c3n(CCOCCCc4sccn4)c(nc23)COCC)C	546
+c12c(ccs1)cc(cc2)CCOCCO	21
+C(OCc1nccs1)COC	21
+n1cccc(Oc2c([N+]([O-])=O)cc(c(NC(C)=O)c2)F)c1OCC(OC)=O	551
+O(C)CCOc1cccnc1	21
+O1c2c(NC(C1)=O)cc(Br)cn2	1530
+Nc1cccnc1OCC(=O)OC	13
+Nc1cccnc1OCC(C)F	13
+n1cc(Cl)nc(NC(C)COC)c1	464
+c1c(cc(c(c1)C#N)NC(C)COC)Br	60
+c1cc(ccc1C)-c2cc(cc(-n3nnnc3C)c2)C(=O)NC(COC)C	14
+O(C(=O)C(C(=O)CCl)=NOCC)CC	969
+O(C(=O)C(C(=O)CCl)=NOCCCCCCCC)CC	969
+c1cc(ccc1-c2ccc(cc2)NC(CCCC)=O)C(=O)CC(C(O)=O)C(=O)OCC	3
+O(CC)C(=O)C(C(OCC)=O)CC(c1ccc(cc1)-c2ccc(cc2)N)=O	0
+C(OC(CCc1c(Br)cccc1Cl)=O)C	4883
+c1(cc(ccc1[N+]([O-])=O)CC(OCC)=O)OC	976
+O(CC)C(=O)C(C)c1nc(Cl)ccc1	174
+O(CC)C(C(Oc1cc2c(cc1)ncc(I)c2)CC)=O	289
+O(CC)C(C(Oc1cc2c(cc1)ncc(c2)Br)CC)=O	289
+c1c(Br)c(ccc1)OC(C(OCC)=O)CCC	289
+O(CC)C(=O)C(CCCCC)c1cccc(N)c1	0
+c1cc(ccc1)C(c2ccccc2)C(N3CCC(CC3)CCn4cnc(C(C(=O)OCC)Cc5ccc(nc5)N)c4)=O	541
+C(Cn1c2nc(nc(Cl)c2nc1)N)C(F)CO	44
+c1(cc(-c2c(C#N)cc(cc2)C)cc(C(=O)OCC)c1)C(=O)O	1
+N1C=2N(c3ccccc13)C(=O)C(=C(C)C=2C#N)CCCCCC	3734
+c1c(F)c(c(cc1)F)COc2nc(C)cn3c(c(nc23)C)C(OCC)=O	9863
+Cc1nc(-c2ccc(C)cc2F)sc1C(=O)OCC	2242
+c1ccccc1COc2c3nc(c(n3cc(Br)c2)C(=O)OCC)C	1316
+n1ccnn1-c2c(cccc2)C(=O)N3CC(c4oc(C(=O)OCC)c(C)n4)CCC3C	9864
+CCC(C)C(C(=O)O)F	3
+Cc1nc(nc(O)c1C)-c2ccc(N)cn2	9865
+CC1CC(N(C1=O)Cc2cc(-c3scc(C)n3)ncc2)c4c(F)cccc4OC	1737
+C1COC(O1)(c2c(c(c(c(Cl)c2)F)I)OC(C)C(=O)OCC)C	3104
+c1cc(ccc1C(C(C(OCC)=O)(Oc2cc3c(cc2)nccc3)C)O)OCc4ccccc4	9866
+CC(C(=O)O)c1cc(C)c(cc1)C#N	3
+c1(c(N)ccc(C(C)C(OCC)=O)c1)C	0
+c1(ccc(C(C)C(OCC)=O)cc1O)[N+]([O-])=O	77
+O(CC)C(C(C)c1cc2c(ccc(N)c2)[nH]1)=O	0
+c1([N+]([O-])=O)ccc2c(cc(C(C)CO)[nH]2)c1	44
+CC(C(=O)O)c1ccc(nc1)C#N	3
+O(CC)C(C(C)c1cc(ccc1)O)=O	241
+c1(cccc([N+]([O-])=O)c1F)CC=2C(Oc3c(ccc(c3)O)C=2C)=O	9867
+O(CC)C(C(N1c2cc(c(C)cc2OCC1=S)Br)C)=O	199
+C(N1C=CC=CC1=O)(C(=O)O)C	3
+O(CC)C(C(N1c2cc([N+]([O-])=O)ccc2SCC1=S)C)=O	199
+c1c2c(ccc1OC(C(=O)O)CC)ncc(I)c2	3
+c1c2c(ccc1OC(C(=O)O)CC)ncc(c2)Br	3
+C(OC(CCC1=CC(=O)N(CCCC)C=C1)=O)C	9868
+c1[nH]c2cnc(cc2c1CCC(OCC)=O)-n3ncnc3	4888
+C(OC)CCOc1cc(CCC(OCC)=O)ccc1O	159
+Nc1c(C=CC(=O)O)cc(c(Cl)c1)OC	108
+C(OC(CCc1cc(c(c(c1)F)F)O)=O)C	159
+C(OC(CCc1ccc2c(c1)CC(CCC2)=O)=O)C	159
+C(OC(CCc1ccc(N)cc1F)=O)C	159
+c1c(OC)ccc(CCC(OCC)=O)c1F	159
+c1cc(ccc1)CN2CC(CC2)Nc3ccc(cn3)C=CC(=O)OCC	70
+C(OC(CCc1ccc(nc1)OC)=O)C	4888
+c1cc(ccc1)C(=O)c2ccc(C(=O)Nc3cccc(c3)C=CC(OCC)=O)o2	768
+O(CC)C(C=Cc1cccc(N)c1)=O	0
+C(OC(CCc1cccn1-c2ccc(C#N)cc2C)=O)C	1253
+O1CCOC1(CCCn2c(C)nc3cnc4c(cccc4)c23)C	1700
+C(c1cc2nc(C)n(c2cc1)CC)(=O)O	3615
+c12c(cc([N+]([O-])=O)cc1O)oc(n2)C	4889
+c12n(c(CCC)nc1c(C)cc(c2)-c3oc(C)nn3)Cc4ccc5c(CCc6c(C5=CC#N)cccc6)c4	2959
+O=C1N(c2ccc(c(c2)Cl)Cl)C(=Nc3c1cccc3)C	9869
+c1ccccc1-c2c3c(ccc(Br)c3)n4c(nnc4c2)C	9870
+c1ccccc1-c2cn3c(nnc3C)cn2	9871
+c1ccccc1COc2c3oc(nc3cc(-c4ncc(cc4)C=C5SC(=O)NC5=O)c2)C	4889
+c1cc(ccc1)Oc2c3nc(C)n(CCOC(C)=O)c3c(C)c(n2)C	1700
+c1cc(ccc1)Oc2c3c(c(C)c(n2)C)n(c(C)n3)CCOCCCc4cnccc4	1700
+O(CCn1c(nc2c3n(nnn3)c4c(c12)cccc4)C)CCCc5cccnc5	9872
+c1(C)c(cc(cc1)C(CC(OCC)=O)=O)Br	4890
+C(c1c(OC)ccc(c1)Oc2ccccc2Cl)(C#N)C(=O)OCC	4891
+c1c(-c2ccc3OCOc3c2)ccc4c1CCC(=O)C4C(=O)OCC	4892
+C(Cc1nc(Cl)ccc1)(OCC)=O	9873
+c1cc(ccc1C#N)-c2cc3CCC(=O)C(C(=O)OCC)c3cc2	4892
+c1cc(ccc1F)C(CC(OCC)=O)=O	4890
+CCOC(C(c1cccc(c1OC)Oc2c(F)cccc2)C#N)=O	4891
+c1ccccc1COc2ccc(cc2)C(C(=O)OCC)C(=O)OCC	9874
+C(OC(OCC)C(C)N(Cc1c2ncccc2ccc1)C(C(NC(CN(NC(NCc3ccc(cc3)Cl)=O)C)=O)C)=O)C	207
+c1cc(ccc1)CNC(=O)NOCC(=O)NC(C(=O)N(Cc2c3ncccc3ccc2)C(C)C(OCC)OCC)C	207
+CCOC(OCC)CCNCC1OCCO1	132
+O(CC)C(OCC)COc1ccc(N)cc1Cl	0
+Cc1c2c(ccc1)ccs2	9875
+c1cc(ccc1)-c2cnc3c(C(=COCC)C(=O)N3)c2	4841
+C(OC(OCC)P(CC(c1ccc(cc1)OC)CN)(=O)OCC)C	157
+O=S(=O)(N)N1CCN(CC1)c2cncc3cc(oc23)C=O	2084
+O=Cc1cc2c(o1)cc(cc2)C(=O)OC	2084
+O(CC)C(c1cccc(-c2ccccc2-c3cc(ccc3OCc4ccccc4F)Cl)n1)=O	22
+c1cc(ccc1F)COc2c(cc(Cl)cc2)C=3CCCCC=3c4nc(ccc4)C(=O)OCC	22
+FC(F)(c1c(Br)cc(CN(S(=O)(=O)c2ccccc2)Cc3ccc(cc3)C(=O)OC)cc1)P(OCC)(O)=O	228
+O(CC)P(OCC)(C(F)(F)c1ccc(cc1Cl)CN(S(=O)(=O)c2c(C(=O)N)cccc2)Cc3ccccc3)=O	692
+O(CC)P(OCC)(C(F)(F)c1c(cc(cc1)CN2C(c3ccc(cc3)S(=O)(=O)C)=CN(C4CC4)C2=O)Br)=O	9876
+O(CC)P(OCC)(=O)C(F)(F)c1c(Br)cc(CN(S(=O)(=O)c2ccccc2)Cc3ccc(cc3)C(=O)OC)cc1	692
+O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCNC(=O)c1ccccc1	93
+O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCNCc1ccccc1	162
+C1CC(CCC12OCCO2)=CC#N	1573
+c1c(cccc1[N+]([O-])=O)C(=CC#N)c2cc(c(OC)cc2)OC	2719
+S(c1ccc2CCCC(=CC#N)c2c1)C	2011
+c1c2c(ccc(F)c2oc1)C=CC#N	2368
+c1c(c(ccc1C=CC(=O)NC2c3c(CC2)cccc3)-n4cc(nc4)C)OCC	2632
+C(OP(OCC)(Cc1cc(C#N)ncc1)=O)C	1303
+O(CC)P(OCC)(NC1CNCCC1Cl)=O	62
+O(CC)P(OCC)(=O)NC1C(Cl)CCN(c2ccncc2N)C1	13
+O(CC)P(OCC)(c1ccc2c(C(=O)OCC)nn(c2c1)CC(=O)N3CC(F)CC3C(NCc4c(c(Cl)ccc4)F)=O)=O	348
+C1CC1N2C(=O)N(Cc3ccc(C(F)(F)P(OCC)(=O)O)c(Br)c3)C(c4ccc(cc4)S(=O)(=O)C)=C2	228
+O=S(=O)(N(Cc1cc(Cl)c(cc1)C(F)(F)P(=O)(O)OCC)Cc2ccccc2)c3c(C(=O)N)cccc3	228
+C(OP(OCC)(=O)CCN=[N+]=[N-])C	310
+C(C)OP(OCC)(=O)CCNC1CCN(CC1)Cc2ccccc2	132
+C(C)OP(OCC)(=O)CCc1cc(C#N)ncc1	1303
+O(CC)P(OCC)(CCCNc1cc(Cc2ccc(cc2)F)cnc1C(=O)OCC)=O	839
+C(C)OP(OCC)(CCCN=[N+]=[N-])=O	310
+c1cc(ccc1C)S(=O)(=O)OCCCCCP(OCC)(OCC)=O	36
+O(CC)P(OCC)(CCCCCO)=O	59
+O(CC)P(OCC)(CCOCCN=[N+]=[N-])=O	310
+O(CC)P(OCC)(CCOCCN)=O	18
+C(C)OP(OCC)(=O)COCCCOn1c2c(nc1)c(nc(NC=O)n2)Cl	1876
+c1cc(ccc1CP(O)(=O)OCC)C(=O)c2ccccc2	228
+c1(noc(C=Cc2ccccc2OC(C)OC)c1)CC	9877
+C(C)OP(OCC)(=O)c1cc2c(c(C(O)=O)nn2CC(=O)N3CC(CC3C(NCc4c(F)c(ccc4)Cl)=O)F)cc1	6
+CCOP(OCC)(c1ccc(cc1)[N+]([O-])=O)=O	9878
+O(CC)P(OCC)(CCCCCOC(=O)C)=O	1586
+CCOP(OCC)(Cc1cc(ccc1)Oc2ccc(cn2)C)=O	1060
+C(OP(OCC)(=O)Cc1c(cccc1)Br)C	590
+C(OP(OCC)(=O)Cc1c(O)ccc(C=O)c1)C	1060
+CCOP(OCC)(Cc1cc(Br)c(c(Br)c1)Oc2cc(C(C)C)c(cc2)O)=O	590
+c12c(C(=O)N(C1=O)CCCCCCCCCCCCP(OCC)(OCC)=O)cccc2	1586
+CCOP(OCC)(Cc1cc(C#N)ccc1)=O	590
+CCOP(OCC)(Cc1cc(ccc1)Oc2ccc(Br)cn2)=O	1060
+CCOP(OCC)(=O)C1C(N2C(CCC2c3cc(F)c(cc3)F)CC1)=O	9879
+C(C)OP(OCC)(=O)Cc1ccc(cc1)C#N	590
+C(C)OP(OCC)(=O)Cc1ccc(cc1)C#N	1060
+O(CC)P(OCC)(Cc1ccc(cc1)C(=O)c2ccccc2)=O	590
+C(C)OP(OCC)(Cc1ccc(cc1)OCC2(CCCCC2)C)=O	590
+c1cc2c(cc1)n(c3c2cccc3)CCCP(OCC)(OCC)=O	1586
+c1cc(ccc1OP(OCC)c2ccccc2)OC	9880
+COc1cc(OCC)c(cc1)C(=O)O	6
+O(CC)c1c2c(cn(C)c2ccc1F)CC(=O)O	4
+c1ccccc1CNC(=O)Cc2cn(c3ccc(c(OCC)c23)F)C	9
+c1cc(OCC)cc2CC(Nc12)=O	1290
+O(CC)c1cc(cc(OCC)c1-n2cccc2)C=O	39
+O(CC)c1ccc(CC)c(c1)O	165
+c1ccccc1COc2c3c(nc(N)n2)n(CC4C(CC=CC4)COC(=O)C)cn3	637
+O(CC1C(CO)CC=CC1)C(=O)C	59
+c1(cc2NC(=O)COc2cc1)N3CC(CC3=O)COCOC	654
+c1ccccc1COc2c(cc(OCC3OC3)cc2)C(C)=O	22
+c1cc(ccc1OC)CC(C)(C)NCC(O)COCC=C	122
+c1c(c(O)c(Cl)cc1)CC=C	423
+c1cc(ccc1)Cn2c3c(c(OCC(=O)OCCBr)ccn3)cc2C	9881
+c1cc(ccc1C)-c2c(c(CC(C)C)nc3ccc(cc23)OCCOC(=O)C)C#N	8
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCOC(=O)C)c(cc45)OC)C)C	8
+C(OCCN1Cc2ccc(OCc3cccc(F)c3)cc2CC1)C	28
+C(CON=C(C(=O)C)C(OCC)=O)OCC	1071
+c1ccccc1CNCCCCCCOCCC#C	132
+c1c(cccc1CCCCOCCCCCCBr)NC(N)=O	213
+C(O)CC1n2c(cc(I)c2)C(NC1)=O	665
+c1cc(ccc1I)-n2nnc3cnc(Cl)nc23	3105
+c1cc(ccc1-n2nnc3c2nc(Cl)nc3)OC	3105
+c1cc(ccc1OCCOC)-n2nnc3c2nc(Cl)nc3	3105
+c1(ccc(C)n1-c2cc(C)c(c(CCCCCCCCCCOCOC)n2)OCc3ccccc3)C	3008
+C1(OCCCCCCCCCCCOCc2ccco2)CCCCO1	176
+c1cc(ccc1)COc2cc(OCCCCCCCCCCCCCCCCCC)cc(C(=O)OC)c2	22
+c1cc(ccc1)CC(=O)C=CC2N(CCCCOCC(=O)OC)C(CCC2)=O	1278
+O(CCCCN1C(=O)CCCC1C=O)CC(OC)=O	24
+c1cc(ccc1C(C)C)CNCCCOCC	42
+c1cc(NC(=O)OCCCl)ncc1Br	278
+c1(cc(cc(C)c1-c2cc(ccc2)C=O)OCCOCC)C	72
+c1cc(ccc1CC(OCC)=O)NC(=O)COCCCl	26
+O(CCSC(=O)C)Cn1c2ncccc2nc1	4893
+COCCN(CCOC)c1c([N+](=O)[O-])cc(-c2onc(-c3ccccc3OC)n2)cc1	910
+c12c(C(=O)N(C1=O)CCN3C(=O)C(C(NCCOCC)=O)=C(O)c4c3cc(cn4)Cc5ccc(cc5)F)cccc2	1112
+O(CCN1C(c2ccc(Cl)c(N)c2C=C1)=O)C(C)=O	0
+C1(=NCCc2ncccc2)C(N(C(=CN1)Cl)CCOC(C)=O)=O	9882
+O(CCN1Cc2n(nc(N)c2)CC1)C	161
+C(COCC(=O)NCCOCCOCCOCCN=[N+]=[N-])(=O)O	206
+Fc1cc(cc(F)c1Oc2ccc(cc2)S(=O)(=O)NCCOCCOCCOCCN=[N+]=[N-])C=C(C)C(=O)OCC	71
+c1cc(ccc1[N+](=O)[O-])C=Cc2cnc(OCCOCCOCCO)cc2	91
+c12n(COCCOC)c(nc1c(c(Cl)c(Cl)c2)Cl)Cl	9883
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCCOC)C	36
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C	1293
+c1ccccc1CSc2c(cc(cc2)[N+]([O-])=O)CCOC	607
+n1(c(nnn1)Br)CCO	59
+O(COC)c1ccc2ccc(nc2c1C#N)CO	453
+O(Cc1c(ccc([N+]([O-])=O)c1)C(=O)O)c2cccc(NC(C)=O)c2	1
+O(Cc1cc(N)ccc1Cl)c2cccnc2	0
+O(Cc1cc(N)ccc1Cl)c2cnc(cc2)F	0
+C(O)c1ccc(Br)c2oc(nc12)C	88
+C(O)c1ccc(c2c1cn(C)n2)F	88
+O(Cc1ccc(cn1)F)c2cc(c(cc2)CC[N+](=O)[O-])F	364
+O(Cc1cccc(F)c1)c2cc3c(cc2)CNCC3	162
+n1c(COC2COCC2)cccc1CN	421
+O=C1N(CCO1)c2ccc(NC(=O)N(OC)C)cc2Cl	2083
+c12OC(C)Cc1cccc2NNC(=O)N(OC)C	2452
+c1cc(ccc1)CN(Cc2ccccc2)C3COc4c(C3)c(-c5cnc(c(C(=O)NC)c5)OC)ccc4	156
+O(c1c(CO)cc(F)c(C)n1)C	382
+O=C(c1cccc(OCc2cccc(F)c2)c1C(=O)OC)O	1
+c12c(cccc1)C(=O)N(C2=O)CCCCCCCCOc3c(cccc3)C	1656
+c12c(ccnc1cccc2)NCCCCCCCCOc3c(C)cccc3	105
+c1ccn(c1)-c2cc(c(nc2C)OC)CC	9884
+O(c1c(CC)cc(c(C)n1)C(=N)NO)C	3106
+CCc1c(O)nc(C)c(c1)-c2cccs2	104
+CCc1c(O)nc(C)c(-c2ncon2)c1	104
+O(c1c(cc(F)cn1)C=O)C	200
+O(c1c(Cl)ncc(CO)c1)C	382
+O(c1c(Cl)ncc(CSC)c1)C	9885
+c1(cc(CNc2nc(ccc2)F)cnc1OC)F	4894
+c1cc(ccc1Cl)CNC(C2=CN(c3nc(c(cc3C2=O)I)OC)C)=O	3757
+O(c1c(I)cc2C(C(=CN(C)c2n1)C(=O)O)=O)C	108
+Clc1cnc(c(c1)Nc2c([N+]([O-])=O)cc(C)c(Cl)n2)OC	1970
+n1ccc(NC(C)c2ncc(cc2)F)nc1Nc3cccnc3OC	949
+O(c1c(OC)cc2c(c(ncn2)Nc3cc(ccc3)Br)c1)C(C)=O	73
+c1cc(ccc1F)Nc2c3c(ncn2)cc(c(OC(C)=O)c3)OC	73
+c1(cc(ccc1)Nc2c3cc(c(OC)cc3ncn2)O)Br	173
+c1cc(ccc1C(=O)O)CNc2nc(ccn2)-c3ccc(c(OC)c3)OC	4775
+c1(c(O)c(ccc1)C(=O)C)OCC=C	1691
+c1ccc(OCCC)c(N)c1	0
+O=S(=O)(Cc1cccc(OCCCCl)c1[N+]([O-])=O)c2c3c(ccc2)cccc3	1177
+O(c1c(c(CCC=C)cc(C)n1)CN)C	388
+O(c1c(c(cc(C)n1)C(CC=C)C)CN)C	388
+c1ccccc1CN2N=C(C(C(OC)=C2)=O)Cl	9886
+O(c1c(N)cc(CC)c(C)n1)C	13
+O(c1c(C(=O)O)cc(F)cn1)C	3070
+c1ccccc1S(=O)(=O)n2cc(c3cc(Br)cnc23)Cc4c(nc(cc4)NCc5c(ncc(c5)F)OC)F	4894
+O=C(c1c(c(c(cc1)OC)OC)N)O	0
+O(c1c(cccn1)CO)C	269
+c1cc(ccc1-c2ccc(cc2)Br)OCc3cccnc3OC	20
+O=C(N)c1c(O)nc(F)cn1	3107
+O=S(=O)(c1ccc(cc1)C)n2ccc3c(cnc(OC)c23)Br	9887
+n1ccc2n(cc(I)c2c1OC)C(CC)COC	9888
+c1cc(ccc1-c2nn3cc(OC)ccc3c2C(=O)c4nc(ccc4)C(=O)OC)F	9889
+c1cc(ccc1)NCC(=O)N2C3C(CCC(NC(=O)Nc4ccc(F)c(F)c4)C3)(CC2)c5ccc(OC)c(c5)OC	1391
+c1cccc2C(=O)N(C(c12)=O)CC(c3c(Cl)cc(cn3)OC)=O	9890
+O=S(=O)(Nc1ncc(Cl)cc1OC)c2cc(cnc2)Br	4895
+O=S(=O)(c1cnc(Cl)c(Br)c1)Nc2ncc(Cl)cc2OC	4895
+c12c(cccc1)C(=O)N(C2=O)CCCCCCCCOc3cc(ccc3)F	1656
+c1(ccc(NC(C)=O)cc1O)[N+]([O-])=O	173
+C1Cc2c(NC1=O)c(cc([N+]([O-])=O)c2)O	173
+O(c1c(cc(c(F)c1)N)F)c2ccnc(c2)NC(=O)CC	0
+c1(cc(cc(OC(=O)C)c1)C=Cc2ccc(cc2)OC(CCl)=O)OC(=O)C	9891
+c1c(OC)cc(cc1-c2cc(c(cc2F)[N+]([O-])=O)C3OCCO3)OC	1435
+c1(OC)cccc(c1)C(c2cccc(OC)c2)=CC#N	3099
+c1(OC)cc(cc(OC)c1)C=2C(N(C)c3cc(Cl)ncc3C=2)=O	9892
+c1cc(ccc1C(Nc2cc([nH]n2)CCc3cc(OC)cc(OC)c3)=O)N4CC(N(C)CC4)C	9893
+O(C)c1cc(cc(OC)c1)CCc2[nH]nc(NC(c3cnc(nc3)N4CCCN(CC4)CC)=O)c2	9894
+O(C)c1cc(cc(OC)c1)Nc2nc(Nc3c(cccc3)S(=O)(=O)C)c(cn2)C(=O)OCC	73
+c1(OC)cc(cc(OC)c1)OCC(O)=O	3
+COc1cc(cc(OC)c1C(=C)C)OC	1707
+O(C)c1cc(cc(OC)c1OC)-c2nccc(CN)c2	45
+C1CC(CCN1Cc2cc(ncc2)-c3cc(OC)c(c(OC)c3)OC)Nc4cc5c(cc4)OCO5	231
+c1(cc(cc(OC)c1OC)C(N)=S)OC	581
+O(c1c(C(=O)c2c(ccc(Br)c2Cl)OC)c(cc(c1OC)OC)C)C	222
+c1(OC)cc(cc(OC)n1)CO	49
+COCCOc1cc(cc(OCCOC)c1)CCl	438
+O(c1cc2c(cc1)C(O)CCC2)c3ncc(cc3)C(=O)N	74
+N1(c2c(Cl)cccc2)c3cc(OC)cc(-c4ccccc4Cl)c3CCC1=O	11
+c1cc(ccc1Br)Oc2c3CCC(c3c(cc2)F)Oc4ccc5c(c4)OCC5CC(OC)=O	472
+c1cc(Oc2cc(NC)ncn2)cc3CCCNc13	1352
+O(c1cc2nc[nH]c2cc1)CCCCCCCCCCCCN=[N+]=[N-]	310
+O(c1ccnc(CCC)c1)C	174
+C1c2c(ccc(OC)c2CC1)OCC(=O)c3sccc3	702
+c1ccccc1CNCc2cc(Br)ccc2Oc3c(OC)ccc(CC(=O)OCC)c3	42
+c12n(ccn1)c3ccccc3c4c2cc(cc4)Oc5cccc(c5)Oc6ccccn6	754
+c1c(N)cc(Oc2cnc(cc2)Cl)cc1	106
+c1c(OC)c(c(cc1)OC)C(CC)C	564
+c1c(Oc2cccnc2C#N)cc(F)cc1	9895
+c1(ccccc1OC)OC(CNCCCc2c3cc(ccc3[nH]c2)F)C	463
+O(c1cccnc1)c2cc(OCCOC)c(nc2)NC(=S)n3cncc3	9896
+NC(Nc1ncc(Oc2cccnc2)cc1OCCOC)=S	9897
+O(c1cccnc1Br)CC(=O)O	4
+O(C)C1=CC=CN2C1=NNC2=O	9898
+c1cc(ccc1Br)CN2C=CC=C(OC)C2=O	4896
+c1cc(ccc1-n2cc(nc2)CNC(c3sc(cc3)Cl)=O)N4C(C(OC)=CC=C4)=O	9899
+c1cc(ccc1)CN2C(C(=CC=C2)OC)=O	4896
+O(CC(=O)OC)c1c(O)cccn1	2156
+O(C)c1sc(C(=O)O)cc1	9900
+O=C(NC)c1c(C)nc2n1ccc(O)c2	5
+O(c1ccn2c(c1)nc(C)c2C(=O)O)C	6
+O(c1ccnc(-c2cnn(C)c2)c1)c3cnc(cc3)N	161
+O(c1ccnc(-c2oc(nc2)C)c1)c3cnc(cc3)N	161
+c1(-c2nccc(OC)c2)cc([N+]([O-])=O)ccc1	119
+c1cc(ccc1-c2cc(OC)ccn2)F	119
+n1ccc(Oc2cnc(cc2)[N+]([O-])=O)cc1NC(C)=O	1153
+c1cc(ccc1)CN2C(C=C(OC)C=C2)=O	9901
+c1cc(ccc1)Cn2c3c(cc2C)c(ccn3)OC	1836
+O(c1ccnc2c1cc(C)[nH]2)C	9902
+c1c(c(-c2nc(OC)c(c(c2)N)[N+](=O)[O-])ccc1)Cl	140
+Nc1ccc(OCC)nc1NC	13
+O(c1ncc(CO)cc1[N+](=O)[O-])C	382
+O(c1ncc(cc1[N+](=O)[O-])C=O)C	200
+O(c1c(N)cc(Cl)cn1)C	13
+Fc1cc(c(F)cc1C)-c2ccc(nn2)OC3CCN4CCCC3C4	519
+NC(=O)c1c(NCc2cnn(C)c2)nc(Nc3cccc(c3)NC(C)=O)nc1	9903
+O1CCOC12CC3CCOc4c(cc(C)c(N)c4)C3(CC)CC2	2471
+c1(cc(cc(F)c1-c2c(c(nnc2C)-c3c(cccc3)F)-c4cc(OC)cc(OC)c4)F)F	9904
+c1cc(ccc1-n2c(c(Cl)nc2C)-c3c(F)c(C#N)ccc3F)Cl	4778
+c1cc(ccc1C23Cn4c(C(=O)N2CCN3)ccc4C)OC	9905
+c1cc(ccc1N2C(=Nc3c(cccc3)C2=O)c4cnc(C)cc4)C5CCCC5	4650
+Cc1ccc2nc(C)ccc2c1[N+]([O-])=O	9906
+c1ccccc1COc2c3n(cc(c2)C)c(c(n3)C)C(OCC)=O	4788
+C1CC1C(c2cccc(c2)O)CC(=O)O	9907
+C1CC(C(C)O1)Sc2c3ccccc3ncc2I	1275
+Cc1cc(cc(C)c1)OCC(O)C	626
+c1cc(ccc1[N+](=O)[O-])Oc2c3c(cc(OCC(O)C)cc3)ncc2	626
+C(O)(C)Cn1c2c3c(CCCc3n1)cc([N+]([O-])=O)c2	4411
+c1ccccc1COc2cc(ccc2)C3(CC(OCC3)C)O	251
+c1(ncnc2[nH]cc(c12)-c3cc(ccc3)C#N)N4CCOC(C)C4	778
+C1CC(CCN1CC(O)COc2nccnc2Cl)N3CCN(c4ccccc4)C3=O	170
+O1C(COc2c(cccc2)C=Cc3cc(no3)CC)C1	8
+O1C(COc2c(NC(=O)N)cccc2)C1	8
+c1(C=O)cccc(OCC2CO2)c1	8
+c1(cccc(OCC2CO2)c1)Br	8
+c12ccc(F)cc1c3c(n2CC4CO4)cc(F)cc3	935
+c12c3ccc(F)cc3n(c1cc(F)cc2)CC4CO4	935
+c1c(c(N)ccc1Oc2c3cc(C#N)c(OCC4CO4)cc3ncc2)F	8
+O(CC1CO1)c2ccc(c(C(=O)C)c2)O	8
+c1ccccc1-n2c3ccccc3c(c2N4CCN(CC5OC5)CCC4)C=O	28
+c1ccccc1C(=O)Nc2c(cccc2)OCC3CO3	8
+c1cc(ccc1)CCCCCCCCOCC2OC2	176
+c1cc(ccc1Br)OCC2CO2	8
+c1cc(ccc1OCC2CO2)Nc3ncnc(c3)Nc4cccc(c4)C	8
+c12c(cccc1)c3c(cccc3)n2CC4OC4	935
+O1C(COc2ccccc2-c3ccc(Cl)nn3)C1	8
+c1cc(cc(c1)C)Nc2ncnc(Nc3cc(ccc3)OCC4OC4)c2	8
+c1cc(ccc1CC)OCC(CC)O	626
+C(C(=O)O)COc1cccc(Cl)c1Cl	4602
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CCC3CO3)CC2)=O)=O	638
+O=S(=O)(c1ccc(cc1)CNCC(O)CCC)C	122
+c1c(ccc(c1C(OCCCCCCCCOC(C2CCCO2)=O)=O)O)O	9908
+O1C(CCC1CCCCCCCC(=O)O)CCC(O)(CCCCC)C	736
+O1C(CCCCCCCC(=O)O)CCC1CCC(CCCCC)=O	4
+O(CC1OC1)c2c(cccc2)OC	72
+C(COc1cccc(C=O)c1)(CCl)O	626
+c1cc(ccc1)-c2cc(C(=O)CCc3cc(C)c(c(C)c3)OCC4CO4)sc2CC	72
+c1cc(ccc1)COc2c(ccc(C3=CC(c4c(O3)ccc(OCC5CO5)c4)=O)c2)OCc6ccccc6	72
+c1cc(ccc1)COc2cc(cc(OCc3ccccc3)c2)C4=CC(c5ccc(cc5O4)OCC6OC6)=O	72
+c1cc(ccc1-c2nc3c(ccc(c3)OCC4OC4)o2)C#N	72
+c1cc(ccc1OCC2CO2)C(=Cc3ccc(F)c(c3)C)C(OC)=O	72
+c1cc(ccc1OC)C=2C(=O)c3ccc(cc3OC=2)OCC4CO4	72
+c1cc(ccc1C2(C(N(C)c3c(S2)cccc3)=O)C#N)OCC4CO4	72
+c1cc(ccc1OCC2CO2)C=3C(c4c(OC=3)cc(OC)cc4)=O	72
+C1CCC(C1)OCCOc2ccc(cc2)OCC3OC3	72
+O1C(COc2c3c(ccc2)[nH]c4c3cccc4)C1	72
+c12c(cccc1)CCc3c(cccc3)N2CC4OC4	9909
+c1ccccc1-c2cc(C(=O)CCc3cc(C)c(c(C)c3)OCC4CO4)sc2C	72
+c1cc(ccc1NC(NCC2OCCN(Cc3ccc(Cl)c(Cl)c3)C2)=O)Oc4ccccc4	282
+c1cc(ccc1OCC(O)CO)CCCCO	626
+c1ccccc1COCC2OC2	149
+c1ccccc1COC(NCCCCc2ccc(c3ccccc23)OCC(O)CO)=O	626
+c1cc(ccn1)OCC2CO2	1175
+Nc1c(ncnc1NC2COC(CO)C2)Cl	40
+O=S(=O)(c1ccc(cc1)C)OCC2OCN(C2)c3cc4N=C5N(c6c(cc(F)cc6)C5=O)C(=O)c4cc3	36
+O=S(=O)(OCC1CNC(=O)CO1)c2ccc(cc2)C	36
+c1cc(ccc1C=2CCN(C(=O)OCc3ccccc3)CC=2)N4CC(OC4=O)CO	1774
+C1C=C(c2ccc(N3CC(CO)OC3=O)cc2F)CCS1	1774
+c1(N2CC(CO)OC2=O)ccc(N3CC(N(CC3)C)=O)c(F)c1	1774
+c1(N2CC(CO)OC2=O)ccc(N3CC(N(CC3)CCOC)=O)c(F)c1	1774
+c1(N2CC(CO)OC2=O)ccc(N3CC(N(CC3)CC)=O)c(F)c1	1774
+O=S(=O)(c1ccc(cc1Cl)Cl)NCCCCNCC(COC)O	122
+c1cc(ccc1C)S(=O)(=O)n2c3ncc(cc3c(-c4ncc(c(NC5CCCN(C5)CC(O)COC)n4)F)c2)Cl	170
+C(CNCC(COc1c2c(ccc1)[nH]c3c2cccc3)O)COc4c(Cl)cc(cc4)C5=NNC(CC5)=O	122
+C1CN(CCN1Cc2ccccc2)CC(O)COc3cccc4[nH]c5c(cccc5)c34	170
+c1cc(ccc1)CN2CCC(CC2)NCC(O)COc3cccc4c3c5c([nH]4)cccc5	122
+c1ccccc1CN(CC(O)COc2cccc3[nH]c4c(cccc4)c23)CCOc5c(cccc5)OC	170
+c1cc(ccc1)C(c2ccccc2)OCC3CCN(CC3)CC4(C)Oc5c(C4)c(C)c(N)c(C)c5C	28
+O=Cc1c(ccc(c1OC)OC)O	805
+c1(ccc2c(c1)COC2=O)NCCCl	15
+C1(CCO)OCCc2ccccc12	21
+c12c(C)cccc1c(ccc2C(=O)N3CC4OCC3C4)OC	30
+O=S(=O)(c1ccc(NC(CCCc2ccc(cc2)B(O)O)=O)cc1C#N)CC	9910
+CC1(C)COB(OC1)c2c(cc3c(c(c[nH]3)C(OC)=O)c2)Cl	734
+CC1(C)COB(OC1)c2c(Cl)cc3c(c2)cc[nH]3	734
+C1OB(OCC1(C)C)c2cc([N+]([O-])=O)cc(c2)F	734
+C1OB(OCC1(C)C)c2cc(N)c(cc2)-n3nccc3	734
+O1CC(COB1c2ccc(cc2)C3CCN(C(=O)OC)C3)(C)C	734
+C1OB(OCC1(C)C)c2ccc(cc2)OCCN3CCOCC3	734
+C1OB(OCC1(C)C)c2ccc(cc2)OCCO	734
+C1OB(OCC1(C)C)c2cc(-c3cccnc3)ccc2	734
+OCCC1COc2c(cccc2)O1	88
+c1cc(ccc1-c2c(cc3c(c(C=O)c[nH]3)c2)Cl)C4CCN(C(=O)OC)C4	749
+OCC(CO)(NC(CCl)=O)c1cc(ncc1)Br	1192
+c1c(C)c(c(cc1-c2nc(on2)-c3sc(C)c4C5C(Cc34)C5(C)C)C)OCC6COC(OC6)(C)C	20
+CC1(C)OCC(CO1)c2ccc(cc2)Oc3c(C)c(ncn3)OC4CCN(CC4)c5ncccn5	185
+O1CC(COC1(C)C)c2ccc(cc2)Oc3ncnc(c3[N+]([O-])=O)Cl	185
+O1CC(COC1(C)C)c2ccc(cc2)O	16
+CC(C)c1noc(C2CCN(CC2)c3ncnc(Oc4ccc(cc4)C(CO)CO)c3[N+]([O-])=O)n1	1192
+O1CC(COC1(C)C2CCC(CC2)=O)(C)C	86
+C1OC2(CCC2)OCC1COc3c(C)c[n+]([O-])c(c3C)C	857
+C1OC2C(COC2C1N=[N+]=[N-])N	18
+NC1Cc2c(OC1)c(F)ccc2C(=O)N	157
+O1CC2(COC1(OC2)C3CCC(CC3)C#C)CCC	9911
+C(N(C)C1CCOc2cccnc12)c3nc4cccc(F)n4c3	4675
+c1c(cc2c(noc2c1)OCC3CCO3)Br	9912
+c1ccccc1[Si](c2ccccc2)(OCC3C(O)CCCO3)C(C)(C)C	328
+C1OC(C(Nc2cc(ccc2Nc3c(c(C(=O)OC)ccc3)C)F)=O)CC1	1294
+C1CCOC1Cn2c3cccc(Cl)c3cc2	339
+C1CCOC1COc2cccc(Br)c2	20
+C1CCOC1COc2c(ccc(n2)C(=O)O)Br	91
+c1cc(ccc1C(Nc2nc(OCC3OCCC3)cc(n2)Nc4cnccn4)C)F	145
+C1OC(CCC1)Oc2cc(O)c(C=O)c(Cl)c2	1136
+C1OC(CCC1)OCCCCBr	219
+Cc1c(cnn1C2CCCCO2)Br	1738
+C1CCCC(n2cnc3c2nc(nc3Cl)C)O1	3673
+c1(OC)cc(cc(OC)c1)-c2ncc3c(nn(c3c2)C4CCCCO4)I	580
+C1OC(CCC1)OCC2CCc3cc([N+]([O-])=O)ccc3O2	219
+n1(nc(cc1[N+]([O-])=O)C(=O)OC)C2CCCCO2	1738
+C1OC(CCC1)OCC2Oc3c(cc(cc3CC2)F)[N+]([O-])=O	219
+n1c2cc(cc([N+]([O-])=O)c2cn1C3CCCCO3)Br	4897
+c1(C=O)cccc(c1)OC2OCCCC2	1136
+c1(cc2n(C3CCCCO3)ncc2cc1Br)F	580
+C1CCCC(O1)n2cnc3c2cc(cc3C)Br	3108
+C1CCCC(n2c3c(c(Cl)c(cc3)Br)cn2)O1	580
+C1CCCC(O1)n2cnc3c2cc(Cl)nc3C#N	3108
+C1CCCC(O1)n2cnc3c2ccc(Br)c3Cl	3108
+C1CCCC(n2c3ccc([N+]([O-])=O)cc3c(C=O)n2)O1	580
+C1CCCC(n2c3cc(ccc3cn2)CBr)O1	580
+C1CC=COC1n2nc(c3c2cccc3)Br	9913
+C1OC(CCC1)OCCc2nc(ccc2)Br	219
+c1(Cl)cncc(Cl)c1COC2OCCCC2	219
+c1cc2n(C3CCCCO3)nc(C(N(OC)C)=O)c2cc1I	580
+O1CCCCC1Oc2ccc(OC)c(OC)c2	1136
+n1c2c(cc(c(Br)c2)O)cn1C3CCCCO3	4897
+c1c(cc2c(c1)n(C3CCCCO3)nc2C(=O)OC)Br	580
+c1c(cc2c(c1)n(C3CCCCO3)nc2)Br	580
+C1OC(CCC1)Oc2cc3ccc(Cl)nc3cc2	1136
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c(n(C4CCCCO4)nc3)cc2Br	580
+c1cc(ccc1)C(OCC(COC2CCCCO2)C)=O	219
+c1ccccc1C(C)(COC2OCCCC2)CCCCCN	219
+c1ccccc1C(CCCCBr)(C)COC2OCCCC2	219
+c1cc(ccc1)COc2cc(C(OCC)=O)nc(COC3CCCCO3)c2	219
+c1cc(ccc1Cl)-c2c(sc(c2)Br)COC3CCCCO3	219
+c1cc(ccc1Br)C(C)CCOC2CCCCO2	219
+c1cc(ccc1C)S(=O)(=O)OCCOCC(OC2OCCCC2)c3ccc4sccc4c3	219
+c1cc(ccc1C2C(c3ccc(Cl)c(F)c3)=C(C)c4c(O2)ccc(c4)OC5CCCCO5)I	1136
+c1cc(ccc1CC(=O)c2c(cc(cc2)OC3CCCCO3)O)F	9914
+c1cc(ccc1CCOC2CCCCO2)Br	219
+c1cc(ccc1F)-c2nn(C3OCCCC3)c4ccc(cc24)Br	580
+c1cc(ccc1I)OC2OCCCC2	1136
+c1cc(ccc1N(CCCCCCOC2CCCCO2)CC)Br	219
+c1ccccc1COc2cc(COC3OCCCC3)ccc2I	219
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3ccc4c(n(nc4C(OCC)=O)C5OCCCC5)c3	580
+C1OC(CCC1)OCCn2c(nnn2)Br	219
+C1CCCC(n2cc(cn2)Br)O1	1738
+C1CCCC(n2cnc(-c3c(c(c(Br)s3)C#N)Br)n2)O1	9915
+O1CCCn2c1c(C(=O)C)cn2	9916
+c1cc(ccc1F)-c2oc(C)c(CC(NCC3CN(C(c4cc(Cl)c(Cl)cc4)=O)CCO3)=O)n2	9
+c1(cc(C#N)ccn1)-c2cn(CC3CN(C)CCO3)cn2	871
+c1cc(ccc1F)N2CCN(CC2)C(OCC3CN(C)CCO3)=O	2078
+c1cc(ccc1C)OCCNC(=O)C	9917
+O=Cc1cc(cc(OC)c1OCOC)N2CCOC2=O	2663
+N1(CCOC1=O)Cc2cc(ccc2Cl)Br	9918
+c1cc(ccc1N2CCOC2=O)C(CCC(CCC(=O)OCC)=O)=O	2663
+c1cc(ccc1)CN2CCOC(C2)CCC#N	171
+C1C(CC1)c2ccc(c(F)c2OC)-c3cc4OCCNc4nc3	89
+Brc1cc(cc(Br)c1OC)C(=O)N2c3ccncc3OCC2	448
+c1([N+]([O-])=O)cccc(-c2cc3c(OCCN3)nc2)c1	89
+c1(cc(cc(Br)c1O)C(N2c3c(nccc3)OCC2)=O)Br	3002
+O=S1(=O)CCCN1CC23CC4CC(C2)C(C(C)=O)(C3)C4	97
+C1(=O)CCC(=O)N1OC(CCC2(OCCO2)C)=O	884
+O1CCOC1(C)CCCNc2c(cnc3ccccc23)N	13
+C1COC(O1)(C)CC(Cc2ccccc2)N	45
+C1CC1(O)CC(c2cc(ccc2F)Br)=O	1367
+O1CCOC1(CCOc2c(C)c(ncc2)COC(=O)C)CCC	174
+O1CCOC1(CCOc2ccnc(CO)c2C)CCC	59
+c1cc(ccc1C(=O)c2ccc3c(c(cc(O)n3)-c4cccc(c4)OC)c2)Cl	4898
+O1CCOC1(C)c2cccc(C(CCON=C(c3nc(C)ccc3)C)O)n2	3214
+O1CCOC1(c2oc3c(c(ccc3OC)N)c2)C	0
+O1CCOC12CCC(C2CCCCCCCO)C=O	9919
+C(O)CCCCCCC1C(CCC1C=CC(C(C)CCCC)=O)=O	97
+O1CCOC12C(CCCCCCCO)C(CC2)C=CC(O)C(CCCC)C	1565
+C(O)CCCCCCC1C(CCC1=O)C=CC(O)C(CCCC)C	97
+c1cc(ccc1CNC2CCC3(OCCO3)CC2(C)C)OC	87
+O1CCOC12CC(c3cc(c(cc3F)C(=O)O)F)CC2	595
+C1CC2(CCC1c3cccc(F)c3)OCCO2	191
+C1CC2(OCCO2)CCC1c3cc(F)c(cc3)F	191
+CC(C)Oc1cc(c(cc1[N+]([O-])=O)C)C=2CCC(CC=2)=O	9920
+C1(CCN(C)C(CC1)=O)=O	97
+O1CCOC12C(CCCCCCCO)C(C=CC(=O)C(CCCC)C)CC2	9921
+c1cc(ccc1C(C#CC2(CCC3(CC2)OCCO3)O)O)C	4019
+C1COC2(O1)CCC(CC2)(NC(=O)OCc3ccccc3)C	3791
+C1COC2(CCC3(CC2)C(O)=C(c4c(ccc(c4)Br)C)C(=O)N3)O1	997
+O1CCOC12CCC(CC2)(C(=O)OC)NC(Cc3cc(ccc3C)Br)=O	726
+C1CC(CCC1=O)(OC)C	97
+C1CC(CCC1=O)(OC)c2c(Cl)cccn2	97
+c1cc(ccc1F)C2(CCC(CC2)=O)OC	97
+O1CCOC12CCC(c3cc(F)c(F)cc3F)=CC2	252
+C1COC2(O1)CCC(CC2)(c3ccc(cc3)Br)CO	21
+C1CC(CCC1=O)(c2cnc(cc2)C#N)O	97
+O1CCOC12CC=C(CC2)c3cc(F)ccc3	252
+c1cc(ccc1CC2CCC3(CC2)OCCO3)F	1028
+c1cc(ccc1)CC2CCC3(CC2)OCCO3	1028
+C1COC2(CCC(CC2)O)O1	100
+C1COC2(CCC(CC2)(C)O)O1	736
+O1CCOC12CCC(CC2)(c3c(cc(c(F)c3)F)F)O	251
+C1CC(CCC12OCCO2)(O)c3cc4c(OCO4)cc3	251
+C1CC(CCC12OCCO2)(c3ccc(O)cn3)O	938
+C1COC2(O1)CCC(CC2)NC(C)c3ccccc3	87
+C1COC2(CCC(CC2)Nc3ccnn3Cc4ccccc4)O1	1270
+C1CC(CCC12OCCO2)=CCC(C)C	9922
+O1CCOC12CCC(CC2)=Cc3ccc(cc3)F	9923
+c1cc(ccc1C2(CCC3(OCCO3)CC2)O)F	1035
+O1CCOC12CCC(CC2)(c3ccc(nc3)F)O	1239
+O1CCOC12CCC(CC2)Nc3ccccc3O	231
+C1COC2(O1)CCC(CC2)=Cc3ccccc3Cl	9924
+C1COC2(CCC(CC2)Nc3[nH]cnn3)O1	1478
+C1COC2(CCC(CC2)C=O)O1	578
+C1COC2(CCC(CC2)CO)O1	44
+O=S(=O)(C)c1ccc(cc1Cl)C(C(OC)=O)CC2CCC(CC2)=O	97
+C1CC(CCC1=O)Cc2c(cccc2)Cl	97
+C1CC(CCC1=O)c2cc(c(F)cc2F)F	97
+C1CC(CCC1=O)c2cnc(N)c(-c3cc(c(C(NCc4ccccc4)=O)cc3)F)n2	97
+O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3	191
+C1CC2(CCC1=O)CN(CCCC)CC2	97
+c1cc(ccc1CCN2CCCC3(OCCO3)CC2)OC	28
+O1CCOC12CCCNCC2	215
+C1CN(CCC1=O)c2ccc(Cl)c(c2)OC	97
+c1cc(ccc1N2CCC(CC2)=O)Br	97
+c1cc(ccc1N2CCC(CC2)=O)C(=O)O	97
+O1CCOC12CCN(CC2)c3ccc(cc3)C(=O)O	6
+C1CN(CCO1)Cc2ccc(cc2)N3CCC(CC3)=O	97
+c1cc(ccc1N2CCC3(CC2)OCCO3)NS(=O)(=O)c4ccc(cc4)NC(C)=O	69
+O1CCOC12CCN(CC2)c3ccc(cc3)N	0
+C1CC(CCN1c2n(Cc3ccc(cc3)F)c4c(cccc4)n2)=O	97
+C1CC(CCN1c2ncc(cn2)Cl)=O	97
+C1CC(CCN1c2snc(n2)C)=O	97
+O1CCOC12CCN(CC2)c3snc(n3)C	4160
+O1CCOC12CCN(CC2)c3ccc(Cl)c(c3)OC	79
+C1COC2(O1)CCN(CC2)Cc3ccc(c(F)c3)F	9925
+O1CCOC12CCN(CC2)c3ccc(cc3)C=O	34
+O1CCOC12CCN(CC2)c3ccc(cc3)Br	560
+C1CC2(CCN1CCCOCCc3ccccc3)OCCO2	61
+O1CCOC12CCN(CC2)c3ncc(cn3)Cl	117
+C1CN(CCC12OCCO2)c3ncnc(Cl)c3	54
+C1COC2(CCN(CC2)c3nc4c(c(NC)n3)nc(NCCC)nc4NC)O1	549
+CC(C)C1CC(CCS1)=O	97
+C1CC(Cc2sc3ncnc(c3c12)Nc4cc(Cl)c(F)cc4)=O	97
+CC(C)C1CC(C(C)CC=O)CCC1	812
+CC1(C)C2(C(CC1CC=O)C2)C	812
+c1cc(ccc1CCCC=O)C#N	812
+c1cc(ccc1CCC=O)-c2c(F)c(c(cc2)OCC)F	812
+CN(C)c1cc(ccc1O)C=O	494
+c1ccccc1Cc2c(F)ccc(c2)C=O	494
+NC1=C(NCCCOc2cc(ccc2)C=O)C(=O)C1=O	494
+c1cc(ccc1F)Cc2oc3c(c2)cc(cc3)C=O	494
+O1CCOC1c2cc(Cl)c(cc2)Oc3cc(N)c(cc3)N	2609
+O1CCOC1c2ccc(cc2)Oc3ccc(N)c(C)c3	0
+O1CCOC1c2cc3c(oc(Cc4ccc(cc4)F)c3)cc2	9926
+CC(C)(c1cccc(c1)C=O)COC	494
+O=Cc1cc(-c2nc(SC)nc(C)n2)c(nc1)Nc3ccc(nc3)OC	9927
+O1CCOC1c2cnc(Nc3ccc(nc3)OC)c(c2)-c4nc(SC)nc(C)n4	2097
+c1(c(N)cc(F)cn1)C=O	9928
+c1cc(ccc1S(=O)(=O)Nc2c(nc3c(cccc3)n2)Nc4ccc5OCCOc5c4)Cl	9929
+c1(-c2nc3n(c2Nc4cc5c(OCCO5)cc4)c(F)ccc3)c(cccc1Cl)F	1891
+c1(I)c2CCOc2ncc1[N+](=O)[O-]	475
+O1CCc2c3n(ncc3CCN)ccc12	51
+c1(Nc2nc(Cl)ncc2)c(Cl)ccc3OCOc13	73
+O=S(=O)(C)OCC(CCCCC)c1c2OCOc2ccc1	7
+c1(n(c2nc(nc(N)c2n1)F)CCCCCCCO)Cc3c(I)cc4OCOc4c3	4777
+c1cc(ccc1OC(C(=O)N2OCCC2)C)O	9930
+O1c2cc(ccc2CCC1C(OCC)=O)O	165
+c1ccccc1COc2cc3c(cc2)C(=O)NCCO3	22
+O1CCNc2c1ncc(Br)c2	15
+O1CCNc2cccnc12	15
+O1CCNc2c1cncc2	15
+CC1(C)Oc2cc([N+](=O)[O-])ccc2O1	77
+c1(c2OC(CO)CCc2cc(c1)F)[N+]([O-])=O	21
+C(CC1Oc2c(C1)cc([N+]([O-])=O)cc2)C#N	31
+c1c(cc2OCOc2c1CC)Br	414
+c1ccccc1COCCCOc2ccc3CCC(C(=O)OCC)Oc3c2	8
+c1cc(ccc1)CN2c3c(OC(C2)C(OCC)=O)ccc(Cl)c3	507
+c1cc(ccc1Br)S(=O)(=O)OCC2COc3ccc4nc(C)ccc4c3O2	1226
+c1cc(ccc1S(=O)(=O)OCC2COc3ccc4nc(C)ccc4c3O2)C	36
+c1cc(ccc1S(=O)(=O)OCC2Oc3c(Br)cccc3OC2)C	36
+Cc1nc(CNC(C2CNc3c(cccc3)O2)=O)on1	9
+O1CCNc2c1ccnc2	15
+c1(c(c(c2c(c1)CC(C2=O)CCCl)Cl)Cl)OC	9931
+O=C(C(=COC)c1ccccc1Oc2cc(N)ccc2)OC	2737
+n1c(Br)ccc(c1)C2N(c3c(Cl)cccc3)N=C(C(OC)=O)C2	9932
+C1(N(c2c(Cl)cccc2)N=C(C(OC)=O)C1)c3ccc(Br)c(F)c3	4899
+O=C(C(=O)c1cc(NC(C)=O)c(cc1C)F)OCC	26
+c1[nH]c2cccc(Cl)c2c1CCO	9933
+N1C(C(c2c3c4n(c2)CCc4ccc3)=C(C1=O)c5c[nH]c6ccccc56)=O	2218
+O=C(C(=O)c1c(cc(F)c(N)c1)C)OCC	0
+S(C)c1ccc(cc1Cl)C(=O)C(O)=O	4714
+Cc1c(C(=O)OC)nc2n1nc(cc2)Cl	9934
+c1ccccc1COc2ccc(cc2)-n3c(c(nc3-c4ccc(cc4Cl)Cl)C(=O)OCC)C	4900
+c1cc(ccc1OCc2ccccc2)-n3c(nc(C(OCC)=O)c3C)-c4ccccc4Cl	4900
+c1cc(ccc1C)Cc2nc(O)c(nn2)C(NC(=O)C(CCCCC)C(C)=O)C	4901
+c1c(C2NC(C(=O)OC)(C)Cc3c4cc(OC)ccc4[nH]c23)cccc1O	3109
+c1cc(ccc1)C2NC(C)(Cc3c4c([nH]c23)ccc(OC)c4)C(=O)OC	3109
+c1c(C2NC(C(=O)OC)(C)Cc3c4cc(OCC)ccc4[nH]c23)cccc1O	3109
+c1ccccc1COC(=O)NCC(C)C(O)=O	101
+c1c(cc2c(c1)C=C(CC(=N)N2)C(=O)OCC)Br	9935
+C(N(OC)C(C1=C(O)C(=O)N(C1)C)=O)c2cccc(F)c2	4902
+C(OC(CC(CO)N1C(NC(C=C1)=O)=O)=O)C	44
+o1nc(cc1-c2cc(ccc2)Br)C(=O)OC	1208
+c1c(nn(-c2nnc(cc2)Cl)c1-c3ncccc3)C(=O)OC	4903
+c1cc(ccc1C)-c2n3c(c4ccccc4n3)nc(c2C(CCC)C(OC)=O)C	2057
+c1cc(ccc1)[Si](c2ccccc2)(OCC(C)C(OC)=O)C(C)(C)C	328
+C(C)OC(c1csc2cc(OC)ccc12)=O	9936
+O=C(C(C)(Cc1c[nH]c2c1cc(OCC)cc2)N)OC	9937
+Clc1ccc2cc(C(=O)OCC)[nH]c2c1	3056
+CCOC(c1cc2c(c(Cl)ncc2)[nH]1)=O	4904
+Clc1cc(Cl)nc(c1)NC(C(OC)=O)C	4905
+C1(NC(=O)C(c2c3n(ccc3ccc2)CC)=C1c4c[nH]c5ccccc45)=O	2218
+c1c2c(ccc1CC)c(C=3C(NC(=O)C=3c4c5c(ccn5C)ccc4)=O)c[nH]2	2218
+c1(cc(ccc1)C(CO)(C)N)Br	95
+O=C(C(=O)c1cc([N+]([O-])=O)c(cc1C)F)OCC	31
+c1ccccc1COc2c(cc3C4CC(C(C(OCC)=O)=CN4C(CC)Cc3c2)=O)OC	2745
+O=S(=O)(N(C(C)=O)N1C(Nc2c(cc(c(c2)C(C)C)-c3n(ncc3)C)C1=O)=O)C	9938
+O=S(=O)(CC(c1noc(C)n1)(C)NC(=O)OCc2ccccc2)C	4906
+O=S(=O)(CCCCC)NC(=O)c1cc(c(NC(=O)C)cc1)N(C)Cc2ccc(Cl)cc2Cl	26
+c1cc(ccc1OCC#CC)S(=O)(=O)N2C(C(OCC)=O)CN(CC2)C(C)=O	58
+c1cc(ccc1S(=O)(=O)N2c3cc(ncc3N(C(=O)C)C(C)C2)Br)C	2052
+O=S(=O)(NC1Cc2c(cc(cc2)-c3cccc(CNC(=O)C)c3)C1)C(C)C	68
+c1cc(ccc1)Oc2c(cc(c(c2)C(=O)C)OC)NS(=O)(=O)C	94
+O=S(=O)(c1ccccc1[N+](=O)[O-])N(CCC)CCCn2c3c(c4c5c(C(CC5)=O)ccc24)cc(cc3)C(=O)C	94
+O=C(O)C(CCSC)OC(C)=O	4907
+Fc1c(c(Nc2ccc(I)cc2C)c(C(=O)NOCCOC(=O)C)cc1F)F	204
+Oc1c(ccc([N+]([O-])=O)c1C)C(=O)C	94
+[n+]1([O-])ccc(Cl)cc1C	9939
+c1(c2c(ccc(OC)c2)ccc1)C(CO)CNC(C)=O	68
+s1c(CC(OC)=O)ccc1C(=O)C	1808
+C(c1ccc(Br)c2oc(nc12)C)(=O)OC	9940
+c1(c(ccs1)C(=O)N)NC(C)=O	2414
+c1([N+]([O-])=O)cccc(CCNC(C)=O)c1	68
+c12c(c(c([nH]1)-c3c(C)onc3CC)C(C)=O)cccc2	432
+c1c(ccc(O)c1CC)C(=O)C	94
+c1(c(ccc(N)c1F)[N+]([O-])=O)CCOC(C)=O	204
+c1(cc(ccc1[N+]([O-])=O)OCCOC(C)=O)OC	204
+c1(ccc(cc1[N+]([O-])=O)C)Sc2cc(ccc2)NC(C)=O	26
+c1(ccccc1C(NNC(C)=O)=O)I	1086
+c1(CN(C(=O)C)O)ccccc1Nc2cccc(C)c2C	1080
+c1(nsc2ccc(cc12)NC(C)=O)NCCNC(=O)c3ccccn3	26
+c1(c2c(cccn2)c(Cl)cc1C(=O)C)O	4908
+c12c(ccc(OC)c1)CCC2CCNC(C)=O	68
+c1c2c(sc3c2cc(C(C)=O)cc3)ccc1	94
+CC(c1ccc2c(c3c4c(ccc3[nH]2)C(CC4)=O)c1)=O	94
+CC(n1c2c(c3c1cccc3)cc(I)cc2)=O	9941
+c12cc(O)c(cc1cccc2)NC(=O)C	26
+[nH]1cc(c2cc([N+]([O-])=O)ccc12)C(=O)C	432
+c1c(-c2ccc(cc2C(OC)=O)NC(C)=O)c(ccc1)Br	26
+CC(Nc1n[nH]c(-c2cc(F)ccc2)c1)=O	195
+c1(C#N)[nH]c(C)c(c1C)C(=O)C	432
+c1(c(ccc(-c2c(I)cc(c(C(C)=O)c2I)I)c1)C(=O)O)[N+]([O-])=O	94
+c1c(NC=2C=3C(=O)N(CC=C)N=C(C=3N(C(=O)C=2Cl)C)c4cccc(NC(C)=O)c4)c(F)cc(I)c1	26
+c1cc(cc(OC(C)=O)c1OC)C(=O)O	385
+c1(cc(Cl)c(cc1OC)Br)C(=O)C	94
+c1c(OCCOC(C)=O)c(cc([N+]([O-])=O)c1)OC	204
+c1cc(OCCCCCCCCOC(=O)C)c(c([N+]([O-])=O)c1)C#N	204
+c1cc(c(C)cc1Br)OC(C)=O	385
+C(=O)(C)c1c(c2cc(ccc2s1)Br)C	2940
+c1c(cc2ccc(nc2c1)CNC(C)=O)Br	68
+c1(COC(=O)C)ccc(C=Cc2c3ccccc3sc2)s1	204
+c12cc([N+]([O-])=O)ccc1CCCCN2C(=O)C	192
+C(C)c1c(NC(C)=O)cccc1	26
+c1(C)cc(ccc1F)C(=O)C	94
+c1cc(c(cc1C(CCc2noc(C)n2)=NOC)Cl)Cl	2750
+c1cc(ccc1-c2ccc(c(F)c2)OC)C(=O)C	94
+CC(C)N1C(=O)C=CC(c2sc(NC(C)=O)nc2-c3ccccc3)=N1	290
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5cc(c(Br)cc5c(n4)I)NC(=O)C	26
+c1cc(ccc1C(C)=O)CC(OC(C)=O)C	94
+c1cc(ccc1)CN(CCOC(C2=C(NC(COC(=O)C)=C(C(=O)OCC)C2c3cc([N+](=O)[O-])ccc3)C)=O)C	2580
+c1cc(ccc1)COC(=O)N(Cc2cc(ccc2-c3c(OC)ccc(c3)CC(OCC)=O)NC(C)=O)CC	26
+c1cc(ccc1)Cc2c(NC(C)=O)nc(C=C)c(-c3ccc(cc3C=C)OC)n2	1841
+c1cc(ccc1)-n2c3ccc(cc3nc2C)C(O)=O	9942
+c1ccccc1Oc2c(ccc3c2CCC(C)N3C(C)=O)Br	192
+c1cc(ccc1)Oc2c(NC(=O)C)c(ccc2)CC(=O)OCC	26
+c1cc(ccc1-c2ccc(cc2)Cl)C(=O)C	94
+CC(C)(c1ccc(cc1)C(Nc2nc3n(cc(Cl)cc3)c2)=O)CNC(=O)C	68
+c1cc(ccc1C(C)CNC(C)=O)C#Cc2ccc(cc2)OCCC	68
+c1cc(ccc1CCNC(C)=O)-c2ccc(cc2)C3CCCC3NS(=O)(=O)C(C)C	68
+c1cc(ccc1N(Cc2ccc(cc2)C#CCCCCCCCC)C(=O)C)C=CC(=O)OCC	192
+c1cc(ccc1COC(CCC(C(OCC=C)=O)OC(=O)C)=O)OC	4907
+c1cc(ccc1NC(=O)C)-n2c(cc3c2c(O)c(C#N)c(n3)O)Cl	26
+c1cc(ccc1NC(C)=O)C(=O)c2ccc3c(NC(=O)C3)c2	26
+c1cc(ccc1N2CCc3cc(ccc3C2Cc4ccc(cc4)OCc5ccccc5)OC)NC(=O)C	26
+c1cc(ccc1C=O)N2CCN(C(=O)C)C(C)C2	58
+c1cc(ccc1NC(N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2)=O)NC(C)=O	26
+c1cc(ccc1N(CCOc2c3c(ccc2)cccc3)C(=O)C)C(O)=O	192
+c1cc(ccc1C(=O)OC)Nc2c(cc(C#N)cc2)NC(C)=O	26
+c1cc(ccc1OC(=O)C)OC	385
+c1cc(ccc1OC)SCCNC(=O)C	68
+c1cc(ccc1OCCCN2CCCC2C)-c3sc4CCC(c4n3)NC(C)=O	68
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)-c3nc(on3)C)OCC=C(Cl)Cl)Cl	4261
+c1cc(ccc1-c2c(C#N)c3c(n2CC)cc(cc3)OC)OCCNC(=O)C	68
+c1cc(ccc1OCc2cccc(F)c2)N3C(=O)CC(c4nc(C)on4)C3	4906
+c1cc(ccc1-c2nc(c(c(Cl)c2)C#N)-c3ccc(cc3)Oc4ccccc4)NC(C)=O	26
+c1cc(ccc1SC)Cc2sc(NC(C)=O)nc2C(OCC)=O	290
+c1c(Br)cc2c(c1)N(CC2)C(=O)C	192
+CC(n1c2cc(ccc2c3c1cccc3)C(C)=O)=O	4908
+c1c2c(c3ccccc3c4cccc(C(C)=O)c24)ccc1	94
+c1ccccc1-c2ccc3c(cc(cc3)C(NC(=O)C)c4c(nccn4)Cl)n2	68
+c1ccccc1C(O)CNC(=O)C	68
+c1cc(ccc1)C(c2ccccc2)N(C(=O)C)CCCCCC(=O)OCC	58
+c1ccccc1C(c2ccccc2)OC(=O)C3=C(c4cnc(NC(=O)C)s4)CSC5C(NC(=O)OC(C)(C)C)C(=O)N35	290
+c1ccccc1C2(C)c3ccc(cc3N(C(C)=O)C2)Br	192
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)C(=O)C	94
+c1cc(ccc1)CC(OC(C)=O)C	204
+c1ccccc1COC(NC2c3cc(ccc3N(C(C2C)C4CC4)C(=O)C)Br)=O	192
+c1ccccc1COC(NC2C(C(C)N(c3ccc(Br)cc23)C(C)=O)C)=O	192
+c1ccccc1COc2c([N+]([O-])=O)c(N(CC)C(=O)C)ccc2	192
+c1ccccc1COc2cc3c([nH]cc3C(C)=O)cc2	432
+c1ccccc1Cc2cc(C(NC3COc4ccc(cc4N(C)C3=O)NC(=O)C)=O)no2	26
+c1ccccc1S(=O)(=O)n2c3ccc(OCCNC(=O)C)cc3cc2	68
+c1cc(ccn1)SCCCN(C(C)=O)Cc2ccccn2	58
+c1nc(ncc1C(=O)NOC2CCCCO2)N3CCc4c5ccccc5n(C(=O)C)c4C3	2917
+C(C)(NC1CCCc2c(cncc12)-c3cc4CCC(N(c4cc3)C)=O)=O	68
+C(C)(NC1CCCc2c(Br)cncc12)=O	68
+N1(C(=O)C)Cc2n(CC1)nc([N+]([O-])=O)c2	58
+O=S(=O)(c1ccc(-c2c(nc(NC(C)=O)s2)C)cc1F)C	9943
+C1(n2c(Br)nc3cc(c(F)cc23)F)OCC(C(O)C1O)O	59
+O=C(OCC(COC(=O)C)c1ccc(N)c(c1)C=2CCCCC=2)C	989
+c1ccccc1CS(=O)c2ccc(NC(C)=O)c([N+]([O-])=O)c2	9944
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(OC)cc3)C1=O)N(c4ccc5nc(oc5c4)C)C	9945
+c1c(OC)c2c(c(C(CC)=O)c1)ccc(CC)n2	9946
+c1cc(ccc1)C2CC3CN(C(=O)CC)CC23	2781
+c1cc(ccc1O)C=C(C)C(=O)OC(=O)CC	2897
+c1cc(ccc1C2CC(O)=C(C(=O)CC)C(=O)C2)SC	9947
+CCC(=O)Nc1cc(nc(n1)-c2oc(Br)cc2)-n3nccc3	9948
+C1(CCC(=O)N1OC(CCCCNC(NCCCCC2C3C(CS2)NC(=O)N3)=O)=O)=O	884
+O=C(CNC(c1ccc(c(Cl)c1)Cl)=O)O	946
+c1c(CN2n3cccc3C(O)=C(C(NCC(=O)O)=O)C2=O)cc4c(cccc4)c1	3569
+c1cc(ccc1)-c2c3snc(-c4c(cccc4)F)c3c(O)c(C(=O)NCC(O)=O)n2	1480
+c1cc(ccc1)-c2c3c(-c4nnn(c4)Cc5ccccc5)nc(C(=O)NCC(=O)O)c(O)c3on2	1480
+c1ccccc1CN2c3c(-c4cccnc4)nc(C(NCC(O)=O)=O)c(O)c3C=C(Cc5ccccc5)C2=O	3110
+c1cc(ccc1)Oc2cccc3c(nc(C(NCC(O)=O)=O)c(O)c23)C#N	3110
+c1cc(ccc1C(=O)C)S(=O)(=O)NCC(O)=O	592
+c1ccccc1-c2n(CC(O)=O)c(-c3ccc(cc3)OC)cc2	9949
+c1cc(ccc1Cl)CCC(NCC(O)=O)=O	726
+c1cc(ccc1F)-c2c(c3c(c(C(NCC(O)=O)=O)nc(C)c3n2-c4ccccc4)O)C#N	1480
+c1cc(ccc1Oc2cccc3c2c(nc(c3O)C(=O)NCC(O)=O)C#N)OC	3110
+c1cc(ccc1Oc2ccc3c(c(O)c(C(=O)NCC(O)=O)nc3C#N)c2)OCCC	2977
+c1ccccc1-c2ccc(C3CCC(CC3)CCC)n2CC(=O)O	9950
+c1ccccc1COc2cc3c(C#N)nc(C(=O)NCC(O)=O)c(O)c3cc2	1480
+c1cc(c(NCC(=O)OC)nc1)[N+](=O)[O-]	4905
+c1(Cl)cc(cc(Cl)c1Oc2ccc(cc2)[N+]([O-])=O)C(=O)NCC(=O)OC	259
+c1cc(ccc1)Oc2c3c(ccc2)c(OC)c(C(=O)NCC(=O)OC)nc3C#N	1008
+c1cc(ccc1S(=O)(=O)NCC(=O)OC)OCC2CC2	592
+c1cc2-c3ccccc3C(c2cc1)C(=O)NCC(=O)OC	3314
+c1ccccc1COC(=O)NCCS(=O)(=O)NCC(=O)OC	4038
+c1ccccc1COc2cc(cnc2C(=O)NCC(OC)=O)OCc3ccccc3	1008
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(cc3)O)C1=O)N(c4ccc5nc(oc5c4)C)C	5
+O=C(CNC(c1c(c2c(n(cc2Cl)Cc3ccc(F)c(F)c3)c(n1)C#N)O)=O)O	2156
+O=S(=O)(C)OC1CN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1	7
+N(c1c(O)cc(c(Cl)c1)Cl)CC(O)=O	3
+c1(CC(=O)NO)ccc(-c2ccc(cc2F)F)c(F)c1	3736
+c1ccc2C(=O)N(C(c2c1)=O)CCc3c(Br)cc(c(OC)c3)OC	9951
+c1c(cccc1C#N)C(=O)Cc2ncncc2	9952
+OCC1C(C(C(C(N(CC=C)C(=O)N(N=O)CCCl)O1)O)O)O	2591
+c1cc(ccc1C(=O)Cc2c(Cl)cccc2F)F	832
+c1cc(ccc1)C(Cc2cc(ccc2)C)=O	832
+c1c(-c2c(-c3nnc[nH]3)cn(-c4ccnc(c4)NC(C)=O)c2)c(ccc1)Cl	1153
+c1c(-c2cn(cc2C(N)=O)-c3ccnc(c3)NC(C)=O)c(ccc1)Cl	1153
+O=C(OCC)C(C(=O)OCC)(NC(C)=O)CCc1ccc(cc1)Sc2ccc(cc2)-c3nc(CCC)oc3	4773
+c1cc(ccc1OC)-c2nc(C)oc2	2435
+N(c1ccc2c(cc(cc2)C)n1)C(C)=O	4605
+c1cc(ccc1CNC(C)C(=O)N)OCc2c(F)cccc2	3803
+N#Cc1c(Cl)nc(NC(C(=O)N)C)cn1	2941
+c1(Cl)cc(cc(Cl)c1)COc2cc(Cl)cc(C(=O)NCc3ccc(cc3OCC(N)=O)C#N)c2	2805
+c1cc(ccc1)C2=[N+](c3c(cc(N4CCN(CC4)CC(N)=O)cc3)N5CCN=C25)[O-]	9953
+c1ccccc1C(=O)c2cccc(C(SC)C(=O)N)c2N	9954
+c1cc(ccc1NC(=O)NC)-c2nc(N3CC4CCC(C3)O4)c5c(C(C)(C)OC5)n2	9955
+C(#N)c1cc(c2sccc2c1)O	274
+Cc1cccc(C#N)c1Br	274
+C1C2(O)CC3(CC(CC1C3)(O)C2)Nc4c(C(N)=O)cnn5c4cc(c5)Br	719
+c1cc(ccc1)COC(=O)N2CC(C(C)C2)Nc3c(C(=O)N)cnn4cc(Br)cc34	719
+c1cc(ccc1)COC(=O)N2CC(Nc3c4n(cc(Br)c4)ncc3C(=O)N)C(C2)OC	719
+c1(C=O)cc(c(cc1)Oc2ncc(nc2)C(=O)N)OC	842
+O=S(=O)(C)OCc1ccnc(c1)C(N)=O	7
+O=S(=O)(N)Nc1cccc(c1C#N)OCC2CCCCN2C(NCC)=O	1630
+O=C(N1C(COc2c(c(N)ccc2)C#N)CCCC1)NCC	0
+c1cc(ccc1CCCCNC(=N)NC(=O)c2c(nc(N)c(n2)Cl)N)OCC(=O)Nc3ccccc3	4128
+c12C(NC(=O)c3cnc4c(c3)CC5(c6cccnc6NC5=O)C4)CCC(C(N)c1cccn2)c7c(c(ccc7)F)F	18
+c1cc(N)c(NC(CCCCCCCNC(=O)c2c(C)[nH]c(C=NN=C3c4c(ccc(F)c4)NC3=O)c2C)=O)cc1	33
+c1c(cc(cc1)C(OCCNC(=O)OC)c2cccc(c2)Cl)C(O)=O	6
+C(CCCCC)CCc1cc2c(cc1)-c3ccc(-c4nnc(CCCCCC)s4)cc3C2	9956
+C1(C)CCCCN1c2n3c(nn2)ccc(c3)F	9957
+c1c(C(=O)O)ccc(C)c1NC(=O)c2cc3cc(OC)c(OC)cc3nc2O	1
+O=S(=O)(CCCCC(=O)O)NC	508
+O=S(=O)(CCCOC(C)=O)N1CCC(CC1)Nc2nc(N)c(cn2)C(=O)c3c(ccc(F)c3F)OC	2120
+O=S(=O)(NC(C)=O)c1cccc(-c2cc3c(CCCC3=O)cc2)n1	344
+c1(c([N+]([O-])=O)cc(C)c(c1)C(=O)O)OC	4653
+C1(c2cc(C(=O)O)ccc2OC3=C1CCCC3)=O	9958
+c1cc(ccc1-c2nccc3c(cccc23)CC(O)=O)[N+](=O)[O-]	9959
+O=S(=O)(c1cc2c(ccc(c2)COC(C)=O)s1)N	283
+O=S1(=O)c2ccc(cc2C=Cc3ccc(cc13)C(O)=O)[N+](=O)[O-]	944
+C(c1cc(Br)c(O)c(C(=O)C)c1)C(=O)O	508
+[O-][N+](=O)c1cc2CC(=O)c3cc(ccc3Sc2cc1)C(C)C(O)=O	2567
+Brc1cccc(Br)c1COC(C)=O	283
+n1c2c(c(c(c1O)C#N)Cl)cccc2	9960
+c1(O)c([N+]([O-])=O)cc(C(COC(C)=O)=O)cc1O	1231
+O(CCC1C(c2c(cc(c(c2Cl)Cl)OC)C1)=O)C(=O)C	2120
+c1(c(cc(C)cc1)Nc2c(C(=O)OC)cnc(O)c2)Cl	3111
+c1c(Cl)nn2c(C)nnc2c1C	2489
+c1(Cl)cc(cc(Cl)c1C(c2ccc(cc2)Cl)C(=O)O)N3N=CC(NC3=O)=O	2567
+c1(cc2c(c(ncc2)O)cc1Br)F	3111
+c12cccc(c1ccc(NCc3c(cccc3)OC)n2)-c4nc(C)on4	1289
+c12-c3ccccc3NC(=S)n1nc(COC(=O)C)c2	27
+c12CCC(CC(OC)=O)c1ccc(c2C)C=O	1937
+C12c3c(Cl)nn4c(C)nnc4c3C(C1)CC2	2489
+C(C)N(CC)C(C)CN1CCC2=C(C(Oc3cc(c(Cl)cc23)C)=O)C1	4560
+c1c(-c2cc(COC(C)=O)ccc2)csc1	283
+Clc1cc(cc(Cl)c1Sc2cc(C(C)C)c(O)nn2)N3N=C(C(=O)NC3=O)C(=O)O	9961
+c1c(I)cc(c(Nc2c(cnc(O)c2)C(=O)OCC)c1)F	3111
+c1c(OC)c(c(cc1Nc2nc(nn3c(nc(C)c23)C)-c4cccc(NC(C)=O)c4)OC)OC	33
+c1c(c(ccc1C(COC(C)=O)=O)O)OC	4445
+c1cc(cc(F)c1C#N)C(=O)C	9962
+c1(cc(c2c(c1)c(n[nH]2)-c3cc(F)ccc3)OC)C(=O)O	944
+c1(C(c2cc(C(=O)O)ccc2)=O)c(C)cc(cc1)OCCCCCC	944
+CC(C)N1C(=O)C=CC(=N1)CC(=O)c2ccccc2	9963
+c1ccccc1C2(C(=O)CCCC2)CCC(=O)O	508
+c1cc(ccc1)COC(N2CCC(COC(=O)C)(C2)F)=O	4025
+c1cc(ccc1F)-c2c(Cl)c(C(=O)O)c(c(c2)OC)N	4886
+c1cc(ccc1-c2onc3-c4ccc(cc4CCc23)C(C(=O)O)O)CCC	508
+c1cc(ccc1C(=O)c2cc(CC(=O)O)ccc2)Cl	508
+c1cc(ccc1C(=O)O)C(=O)CNC(OCc2ccccc2)=O	9964
+c1cc(ccc1Cc2cc(Br)ccc2Cl)COC(C)=O	283
+c1cc(ccc1COC2=CC(=O)N(C=C2)c3cc4c(cc3)nc(n4C)C)Cl	953
+c1cc(ccc1Cl)C(=O)c2cccc(C(=O)O)c2C	944
+c1cc(ccc1CNC(C)=O)Cl	9
+c1cc(ccc1Cl)Oc2nnc(O)cc2	3028
+c1cc(ccc1F)-c2c(C=3C=CC(N(C(C)C)N=3)=O)nc(C(=O)N)c(N)n2	9965
+C1CN(CCN1c2ccc(cc2)C(=O)O)Cc3ccccc3	944
+c1cc(ccc1C(=O)O)Nc2ccc(cc2)OC	944
+c1cc(ccc1Nc2ncc(c(n2)O)Br)S(C)=O	9966
+c1(CC(O)=O)cc(ccc1CCc2c(c(ccc2)OC)C)Br	508
+c1cc(ccc1)-c2c(oc3c(c2)ccc3)CC(O)=O	508
+c1ccccc1-c2nc3cc(COC(C)=O)ccc3o2	283
+c1ccccc1-c2nc3c(cccc3s2)COC(=O)C	9967
+c1ccccc1N2C(=O)c3c(c4c(n3C)ccc(c4)Cl)C(=N2)CC(=O)O	508
+o1c(-c2cc(COC(C)=O)ccc2)ccc1Br	283
+c1cc(ccc1C(=O)Nc2nccc(C)c2)-c3nc(C4CCCN4C(C#CC)=O)n5ccnc(N)c35	2976
+c1cc(ccc1-c2c3c(nccn3c(C4N(C(=O)C#CC)CCC4)n2)N)C(=O)Nc5sc6CCCCc6n5	2976
+c1(Cc2ccc(c(c2)OC)OC)nnc(c(O)n1)C(C)NC(=O)C(C(O)C)CCCC=C	9
+c1cc(ccc1I)C(=O)NNC(C(Nc2c(c(Cl)c(cc2)C#N)C)C(O)C)=O	708
+c1cc(ccc1)N(c2ccccc2)c3ccc(cc3)C=Cc4ccc(cc4)C=Cc5ccc(cc5)NC(C(=C)C)=O	4909
+c1cc(ccc1OCC(OCC)OCC)-c2ccc(cc2)OC(C(=C)C)=O	2358
+c1cc(ccc1OCCOC(=O)C(C)=C)C(=O)O	2466
+c1c(F)cc(cc1CC(=O)NC(C(=O)O)C)F	726
+OC(=O)C(N1Cc2ccccc2C1=O)C	9968
+c1cc(ccc1S(=O)(=O)NC(C)C(O)=O)C	592
+c1cc(ccc1F)Oc2cc3cnc(c(O)c3cc2)C(NC(C(=O)O)C)=O	2977
+c1cc(ccc1)COC(C(NC(=O)C(NC(=O)C(C)NC(C)=O)C)CC(C)C)=O	207
+c1ccccc1C(=O)n2c3c(c4ccccc24)CC(CC3)C(=O)O	4036
+c12c(cccc1)NC(=O)C3CC(CN3C2=O)O	9969
+c1ccccc1COC(N2C(CC(O)C2)C(O)=O)=O	2543
+C(CC(OCCOCCO)=O)CCCCCCCCCCCCCCCCCCC	27
+c1cc(OC)cc2C(=O)N(C)CC(Nc12)=O	9970
+c1ccccc1CN2CCC(CC2)N(CC(=O)O)C	9971
+c1cc(ccc1-c2noc(n2)COC)CN(C3C(NCCCC3)=O)S(=O)(=O)c4ccc(cc4)Cl	1289
+c1(cc(ccc1O)Nc2c3c(cccc3OC(CNC(=O)COC)C)ncn2)Cl	9
+c1cc(ccc1)COC(N2CC(C(CC)C2)Nc3c(cnn4c3cc(c4)-c5cnc(cc5)CNC(COC)=O)C(=O)N)=O	9
+n1c(cn(CC(CCc2nnc(s2)NC(Cc3ncccc3)=O)F)n1)C(=O)OCC	373
+CCOc1c2ccccc2c(OCC)c3C(=O)OC(=O)c13	3112
+[O-][N+](c1cc(c(cc1)CO)Sc2ccccc2O)=O	49
+Fc1cc(CO)c(F)cc1Cl	611
+c1cc(ccc1OC)-c2nc3c(nc2-c4ccc(cc4)OC)cc(c(O)c3)C(=O)O	3113
+c1c(I)cc(c(Nc2c(c3c(ocn3)cc2C(=O)O)F)c1)F	235
+c1cc(ccc1)CNC(c2cccc(-c3cccc(C(OC)=O)c3)c2)=O	14
+O=S(=O)(Cl)c1cc(c(O)cc1)C(O)=O	240
+c1cc(ccc1N=Nc2ccc(O)c(C(O)=O)c2)OCCCCCCCCBr	725
+c1ccccc1COC(=O)NC(C(C)NC(c2c(cccc2)O)=O)C	14
+c1ccccc1COC(=O)NCCNC(c2ccccc2O)=O	14
+c1cc(ccc1C(OC)=O)SCCNC(=O)c2oc3c(cccc3)c2	1619
+c1ccccc1COC(NC(C(NCC(NC(c2cc3c(o2)cccc3)=O)C(C)C)=O)C(C)C)=O	1619
+c1(nc2c(s1)cccc2)Oc3ccc4c(cc(CO)o4)c3	2184
+c1cc(ccc1-c2c(NC(OC(C)c3c(cccc3)Cl)=O)ccnc2)O	89
+O=C(OC)C(=COC)c1ccccc1COc2cc(C)c(C=O)cc2C	22
+O=C(OC)C(=COC)c1ccccc1COc2c(C)cc(c(C)c2)C(CC)=NO	189
+O=C(OC)C(=COC)c1ccccc1COc2c(C)cc(c(C)c2)C(CC)=O	155
+O=S(=O)(N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O)C	112
+c1cc(ccc1OCCOc2cc3CCCCc3cc2)CC(C(=O)OC)C(O)=O	4
+O=C(C(=O)c1ccc(SC)c(Cl)c1)OC	3773
+c1cc(ccc1F)CNC(C2=C(O)C(=O)N(C)C(=N2)C(C)(C)NC(C(OC)=O)=O)=O	2499
+c1cc(ccc1[N+]([O-])=O)OC(C)C(=O)OC	9972
+C1(O)CN(C(=O)C(C)N2Cc3ccccc3C2=O)C(C(OC)=O)C1	478
+c1cc(ccc1-c2nc(CSc3c(c(c(c(N(C)CC(=O)OC)n3)C#N)N4CCCCC4)C#N)cs2)Cl	3720
+O=C(OC)N1CC(C(C1)OCC)Nc2c(nc(-c3cc4c(cc3OC)CCC4)c(CC)n2)CC	3901
+c1ccccc1COc2c(C(=O)OC)scc2	3080
+c1c(c(C(=O)OC)c(cc1)C(=O)O)CNC(N)=O	1
+c1(cccc(F)c1Cc2cc(OC)c(c(C(=O)CC(=O)c3nccc(C)c3)c2)OC)F	9973
+C(C)OC(c1cc2cc(OCCOC)cc([N+]([O-])=O)c2[nH]1)=O	9974
+O=C(OCC)C(=NOC)C(CC)=O	4910
+O=C(OCC)C(=NOC)C(CCl)=O	969
+O=C(OCC)C(C(C(Cl)C)=O)=NOC	9975
+O=C(OCC)C(=NOCCC)C(CCl)=O	969
+N(=C(C(=O)O)c1csc(N)n1)OCCC	3
+O=C(OCC)C(=NOCCCC)C(CCl)=O	969
+N(=C(C(=O)O)c1csc(N)n1)OCCCC	3
+o1c(ncc1C)C(OCC)=O	9976
+O=C(OCC)C(=O)NCC(=O)C	86
+c1c2ccccn2c(n1)C(=O)OCC	9977
+C(C)OC(c1n2c(nn1)cncc2)=O	9978
+n1c(c2cc(C)ccc2nc1C(=O)OCC)O	9979
+n1c(c2c(nc1C(=O)OCC)scc2)O	9980
+O=C(C(O)=O)Nc1c2C(CC(c2c(C)cc1)CCC)=O	1581
+c12c(cc(cc1)F)NC(=O)C(N2O)=O	4727
+c1cc(cc2OCC(Nc12)=O)NC(=O)C(O)=O	1581
+C1CCCCC1C(CO)(CO)COC	1257
+c1cc(ccc1Sc2ccc(cc2)CCC(CO)(CO)NC(=O)C)-c3nc(CCC)oc3	1257
+O=C(OCC)C(C(=O)OCC)(c1ccc(cc1)N)C	0
+CC1(C)N2C=C(C(OCC)=O)C(=O)c3cccc(c23)C1	9981
+Cc1c2c(c(cnc2n(-c3ncccc3)n1)C(=O)OCC)O	4911
+C1CN(CCN1c2ncc3c(O)c(cnc3n2)C(OCC)=O)C	9982
+n1(ncc2c(c(cnc12)C(=O)OCC)O)CC	4911
+[N+]([O-])(c1cccc(C(=O)C)c1C)=O	9983
+Fc1c(F)cc(Br)c(C(=O)CC(=O)OCC)c1	4912
+c1cc(C(CC(OCC)=O)=O)c(Cl)cc1I	4912
+C1C(CN1C(=O)OCc2ccccc2)C(C(=O)OCC)C(=O)O	3
+c1cc(ccc1Oc2ccc(cc2)C(CC(C(OCC)=O)(C(OCC)=O)NC(=O)C)=O)CCCC	4913
+c1cc(ccc1C(CC(C(OCC)=O)(C(OCC)=O)NC(=O)C)=O)Sc2ccc(cc2)CCCC	4913
+Ic1c(C)ncc(c1)[N+](=O)[O-]	4914
+CCOC(Cc1ncccc1Cl)=O	2367
+Clc1c(C)ncc(Br)c1	4914
+c1cc(ccc1-c2cc(C=C(C)C(OCC)=O)c(cc2)N3CCCC3C)OCCOCCCC	750
+c1cc(ccc1OCCOCCCC)-c2cc(C=C(C(OCC)=O)C)c3N(C)CCCc3c2	750
+O=C(OCC)C(C)=Cc1ccc(N)cc1F	0
+O=S(=O)(NCCCc1scc(C(OCC)=O)n1)C	4317
+c1(C)nc2n3c(nc(C(=O)OCC)c3)ccc2c(C)c1	4759
+c1(cc(cc(OC)c1OC)-c2scc(C(OCC)=O)n2)OC	1835
+c1(cc2nc(C(=O)OCC)cn2c(C)n1)C	9984
+c1sc(Nc2c(C)cccc2)nc1C(=O)OCC	2377
+c1cc(ccc1OCCCCl)-c2nc(co2)C(=O)OCC	9985
+c1cc(ccc1-c2n(cc(C(=O)OCC)n2)-c3cc(OCC)ccc3)C	9986
+c1cc(ccc1-c2n(cc(C(=O)OCC)n2)-c3cc(OCC)ccc3)F	9987
+c1cc(ccc1N2C(=NC(C(OCC)=O)(C2)O)CN(c3ccc(cc3)F)C)Cl	9988
+c1cc(ccc1-c2nc(cs2)C(=O)OCC)[N+](=O)[O-]	1835
+c1cc(ccc1)COc2cccc(-c3nc(C(OCC)=O)cs3)c2OCc4ccccc4	1835
+n1c2c(cccc2)c([nH]1)C=Cc3c(cccc3)Nc4scc(n4)C(=O)OCC	2377
+C(C)OC(c1cc(n(n1)-c2ccc([N+]([O-])=O)cc2C(=O)O)C)=O	4915
+c1c(cc(c(c1)-n2nc(cc2C)C(=O)OCC)C(=O)O)Br	4915
+c1cc(ccc1-n2nc(C)c3c2nc(C)cc3C(OCC)=O)OC	3740
+c1cc(ccc1Cl)C2N(C(=O)C(O)=C2C(=O)C)c3cc(C)c4nnc(C)n4c3	9989
+C(C)OC(c1cc(-c2ccc(cn2)C)n(-c3ncccc3)n1)=O	4903
+Clc1cccc(c1)-c2onc(c2)C(=O)OCC	1208
+o1nc(cc1-c2cc(F)ccc2)C(=O)OCC	1208
+O=C(OCC)C(=O)NCC(O)C	2499
+O=C(OCC)C(c1cn(C)c(C(Nc2cc(C)c(F)cc2)=O)c1)=O	9990
+c1c(Cl)c(c(cc1C(NNC(C(OCC)=O)=O)=O)Cl)O	9991
+c1c(Br)c(c(cc1-c2noc(n2)C(=O)OCC)Br)O	9992
+Cc1cc(cc(C)c1Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)NC(C(OCC)=O)=O	994
+O=C(OCC)C(=O)Nc1cc2OCC(Nc2cc1)=O	994
+C(C(Oc1cc(ccc1)Oc2ccccc2[N+]([O-])=O)C)(O)=O	3
+c1(C)c(F)ccc(c1)NC(=O)c2n(C)cc(c2)C(=O)C(O)=O	2249
+c1cc(N)c(cc1)CC(=O)OCC	0
+O=C(OCC)Cc1c2cc(C=O)ccc2ccc1Cl	3450
+c1c(CC(O)=O)c(c(Oc2c(F)cccc2)cc1)[N+](=O)[O-]	3
+O=C(OCC)Cc1cccc(c1N)Oc2ccccc2Cl	0
+O=S(=O)(Nc1c(CC(=O)OCC)cccc1Oc2c(cccc2)Cl)C	80
+c1c(CC(OCC)=O)c(-c2ccccc2F)ccc1	11
+Fc1ccccc1CC=O	578
+C1(=O)OC(=O)c2c1c(OC)ccc2	3112
+O=C1CCC(=O)N1OC(=O)c2c(N=[N+]=[N-])c3ccccc3nc2	9993
+O=C(O)c1c(O)c(C(C)=O)ccc1	562
+O=C(c1c(ccc(C)c1)-c2cnn(C)c2)N3CCCC(C)C3CNc4c(C)cccn4	340
+O=C(c1c(ccc(C)c1)-c2cnn(C)c2)N3CCCC(C)C3CNc4ccc(cn4)C#N	70
+c1cnn(n1)-c2c(C(=O)N3CCCC(C)C3CN)cc(F)cc2	9994
+n1ccnn1-c2c(C(N3C(CN)C(CCC3)C)=O)cccc2F	9995
+S(CC#C)c1ccccc1CO	49
+O=S(=O)(c1cc(c2c(c1)OCCO2)C(O)=O)Cl	243
+c1cc(F)ncc1-c2nc3c(c(C(=O)O)c2)cccc3	4835
+Nc1cc2ccc(c(OC)c2c3cc(C)ccc13)OC	9996
+c1cc(ccc1)-n2nc(C(OCC)=O)cc2NC(=O)c3c(Cl)cc(Cl)c(c3)-c4ccccn4	650
+Nc1c(Cl)cc(c2OCOc12)C(=O)O	106
+c1c(C(=O)OC)nc(cc1CCCSC)C(=O)OC	965
+c1c(C(=O)OCC)nc(cc1OCc2ccccc2)C(=O)OCC	22
+C(NCc1ccc(c(Cl)c1)Cl)(c2sc(cc2)C(=O)OCC)=O	1256
+O=C(c1ccc(c(c1O)O)N)O	0
+c1c2c(CCC(C2NC(=O)c3ccc(c(Cl)c3)Cl)OC(=O)C)ccc1N	0
+O=C(c1cccc(OCc2cccc(F)c2)c1C(O)=O)O	1
+C1CC(C)N(C(c2c(-n3nncn3)cccc2)=O)CC1Nc4nccc(C#N)c4	30
+c1cc(ccc1CCCc2ccc(cc2)[N+]([O-])=O)Nc3c(cccc3)C(=O)O	230
+O=S(=O)(Cl)c1ccc(c(c1)C(O)=O)Cl	240
+c1(cc2c(N(C(=O)C2C(=O)c3ccccc3Cl)C(=O)C)cc1)C(C)=O	3071
+Cc1cc(ccc1Nc2ccccc2NC(c3ccccc3Cl)=O)OC	4867
+c1(C(=O)O)ccccc1Sc2c(cccc2)OC	826
+[O-][N+](c1ccc(NC(Nc2ccccc2I)=O)c(O)c1)=O	4291
+C(N1C(=O)c2n(CC=C)c(nc2N(C1=O)CCCC)C(=O)O)CCC	1
+O=C(n1c2c(cc1)c(ccc2)C(c3c4c([nH]c3)ncc(-c5cnccc5)c4)=O)NCCCC	814
+O=C(n1c2cccc(c2cc1)C(O)c3c4c([nH]c3)ncc(-c5cnccc5)c4)NCCCC	1235
+c1c(C2(C(=O)N(c3ccccc23)CCCCC)O)c(cc4OCCc14)O	1115
+c1cc(ccc1)C2(C(=C(C(c3c(c4ccc(cc4[nH]3)C)CNC(C)=O)c5ccccc5)C2=O)O)C	2883
+c1ccccc1C(c2[nH]c3cc(C)ccc3c2CN(C=O)C)C4=C(O)C(C)(c5ccc(cc5)C)C4=O	2883
+N1(C(=O)C=C(C=C1C)OCc2ccc(cc2CNC(OC)=O)F)c3c(C)ccc(C(=O)O)c3	1
+C1(C2C(C(=O)C1c3cc(-c4ccc(cc4)Cl)sc3CC)C5C=CC2O5)=O	9997
+c12ccn(c1CC(c3c(Cl)cccc3)C4C2C(=O)NC4=O)CCOCCOCC	4885
+c1c(cc(c(NC2=C(C(=O)OC)C=CC(=O)N2C)c1)F)Br	9998
+O=C1C=CC=CN1c2ccc(-n3cnc(CNC(c4sc(cc4)Cl)=O)c3)c(F)c2	1444
+C(=O)(CN1C(=O)C=Cc2ccc(C#N)cc12)O	4
+O=C1CC(CC(=O)C1)c2c(cccc2)O	5
+c1ccccc1CN(C2CC3C(CNC(=O)C3)C2)C	85
+C1(=O)CCC(=O)N1Cc2ccc3c(cc(C(=O)OC)nc3c2F)-c4ccc(cc4)F	9999
+O=Cc1cc(Cl)c(OC)cc1O	196
+O=S(=O)(N)c1c(N)ccc(c1)Cl	196
+O=S(=O)(Nc1cccc(c1C)OC=2C(=C(Nc3ccc(cc3F)I)N(C)C(=O)C=2Cl)C(N)=O)CC	4837
+C1CC(CCN1c2c(Cl)nc(cn2)Cl)N3CCC(Nc4c(cc(S(=O)(=O)C)cc4)F)C3=O	10000
+c1cc(ccc1-c2n(-c3ccc(cc3)S(=O)(=O)C)cnc2Cl)F	844
+OC(CCl)CC(=O)OC	10001
+c12c(c(C)cc([N+]([O-])=O)c1)ncc(Cl)c2	395
+c1c2c(c([nH]c2ccc1)-c3c(ccc(n3)Cl)O)Cl	573
+CCOC(c1cc(Cl)c(C)[nH]1)=O	573
+c1(C(=O)OC)c(c(Cl)[nH]c1)-c2cc(ccc2)C#N	2148
+ClC(c1cc(C)c(cc1)[N+]([O-])=O)=NO	761
+c1(C=O)cc2c(Cl)n[nH]c2cc1	2209
+Clc1cnc2ccc(C=O)cc2c1	395
+c1(Cl)cc(c(N)c(c1Cl)C)C(=O)O	196
+[N+]([O-])(c1cc(Cl)c(NCc2ncccc2)nc1)=O	395
+Clc1cc(OC)c(N)c([N+]([O-])=O)c1	196
+c1(c(cn(-c2c(Cl)cccc2)n1)Cl)N	697
+Nc1c2OCCCc2c(Cl)cc1F	196
+c1(Cl)cc(c(Br)s1)CO	2172
+c1(c2c(cccn2)c(Br)cc1Cl)O	3373
+c1c(cc(c(Cl)c1)N2C(CC(C)C2)C(NCC#N)=O)Br	196
+c1(cc(C#N)c(O)c(Cl)c1)-c2cc(ccn2)C(=O)OC	196
+c1(cc(-c2c(cc(c(c2C)Cl)O)C)ccc1)C=O	196
+c1c(C)c(c(cc1C(C)=O)C)Oc2c3[nH]cc(Cl)c3nc(Nc4ccc(cc4)C#N)n2	10002
+c1c(F)c(c(cc1F)F)-c2c(C)nnc(-c3ccccc3F)c2-c4cc(OC)cc(OC)c4Cl	196
+c1(Cl)cc([N+]([O-])=O)c(N)c(c1F)F	196
+O(c1ncc(Cl)c(C)c1Br)C	395
+C1(c2c(cccc2)-n3cnc(Cl)c3C4CCN14)=O	844
+O1CCOc2c1c(N)c(Cl)cc2C(=O)OCC	196
+c1(Cl)c(F)ccc2cnccc12	196
+c1cc2c(Cl)cnc(O)c2cc1	395
+Clc1ccccc1-n2c(Cl)nc3c2C(N(C(=O)N3C)C)=O	1950
+C(C=O)(Cl)Cc1ccc2c(c1)nccn2	4916
+c1(Br)c(Cl)ccc(n1)N	395
+Clc1cccc(Cl)c1CCC(=NO)Cl	1964
+c1c(N)ccc(Cl)c1CC	196
+c1c(c(-c2n(C)ncc2Cl)cc([N+]([O-])=O)c1)OC	697
+n1cc(Cl)n2cc(ccc12)CO	2772
+Cc1nc(ccc1Cl)N	395
+c1cc(-c2[nH]c(c(C(N)=O)c2Cl)NC(N)=O)cc3c1cccc3	573
+c1ccccc1-c2cc(c3[nH]c(C(NCc4cccs4)=O)c(Cl)c3c2)Cl	573
+c1cc(ccc1)C(=O)c2c(sc(Cl)c2)N	2172
+c1cc(ccc1)C2CCN(CC2)C=3C=CN(CCCC)C(=O)C=3Cl	10003
+c1cc(ccc1F)-c2n[nH]c(SC)c2Cl	697
+c1cc(ccc1S(=O)(=O)Nc2c(Cl)c(C)no2)-c3ccc(cc3)C	10004
+c1cc(ccc1C(Cl)=NO)C	761
+c1cc(ccc1C2(CC2)C(=O)OCC)-c3ccc(cc3)-c4c(cc(Cl)s4)C(=O)N	2172
+C(OCC)(Cc1ccc(N)c(Cl)c1)=O	196
+c1cc(ccc1)OCc2c(Cl)c3CN(CCn3n2)C(c4ccc(cc4)F)=O	697
+c1cc(ccc1F)C(=NO)Cl	761
+c1cc(ccc1C(=O)N2Cc3n(-c4c2cccc4)c(Cl)cc3)NC(c5c(cccc5)C)=O	2148
+c1cc(ccc1CC(C=O)Cl)OC	4916
+c1cc(ccc1CCl)OCc2ccc3ccccc3n2	2845
+c1cc(ccc1Oc2c(ccc(F)c2)Br)C(Cl)=NO	761
+Clc1cc(C(Nc2ccc(Br)cn2)=O)c(c(c1)O)N	196
+[nH]1cc(Cl)c2c([N+]([O-])=O)cccc12	573
+Clc1cc2C(=O)C(N3CCC(c(c23)c1)C(OC)=O)=O	196
+c12n3CCC(N(C(N)=O)O)c3c(Cl)c1cccc2	573
+c1cc(ccc1)-n2c(c(c(-c3cccnc3)n2)Cl)NC(=O)NC4CN(CC4c5cc(F)c(cc5)F)CCOC	697
+c1cc(ccc1)CC(NC2=NC=C(N(CC(OCC)=O)C2=O)Cl)CN=[N+]=[N-]	10005
+c1ccccc1CC(Cl)=NO	1964
+c1ccccc1S(=O)(=O)n2c3ccc(cc3c(Cl)c2)OCCNC(=O)C	573
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3cc4c(cc3)c(n[nH]4)Cl	2209
+c1cccn2c1nc(CCl)c2Cl	2772
+[nH]1c(-c2cnco2)c(c3c1cc(Br)nc3)Cl	10006
+O=S(=O)(c1cc(ccc1N)I)N	235
+c1(Cl)cc(c(O)c(c1Cl)I)C(=O)C	235
+c1c(I)cc(c(F)c1)[N+]([O-])=O	235
+[nH]1cc(I)c2c(Cl)nc(Cl)nc12	1996
+Ic1c2c([nH]c1)nccc2[N+](=O)[O-]	1361
+Ic1n[nH]c2c1cnc(C)n2	4917
+O(C)c1c(OC)ccc(-c2sc3ncc(I)n3n2)c1	4918
+O1COc2c1cc(c(I)c2)Cc3[nH]c4nc(F)nc(N)c4n3	235
+Clc1c(O)c(I)cc(c1)C(=O)OC	235
+c1(Cl)nc(CCCC)nc2c(c[nH]c12)I	3114
+c1(F)c(cc(I)c(N)c1)Br	235
+n1[nH]c(c2cc([N+]([O-])=O)ccc12)I	2866
+Nc1c(C#N)c(C)c(I)cn1	583
+c1c(cc(C)c(Nc2c(F)c3c([nH]cn3)cc2C(=O)OC)c1)I	235
+O(C)c1c(c(I)c(c(c1N)C(=O)O)C)F	235
+c1(cc(-c2cnc3[nH]cc(I)c3c2)ccc1)C=O	1361
+c1c(F)c(c(cc1)F)-c2ccc3[nH]cc(I)c3n2	3114
+Clc1ccc(F)c(c1C(C)Oc2cc(I)cnc2N)Cl	583
+c1(ncccc1)-c2c(I)c[nH]n2	1160
+Ic1nn(C)c2c1c(ncn2)O	4917
+c1(cc(Cl)c(cc1I)-c2ccccc2F)O	235
+c1c(-c2cncc(c2C(=O)OC)Nc3ccc(I)cc3F)c(ccc1)Cl	235
+c1(I)c(C#N)c(Cl)cc(c1O)C(=O)C	235
+c1cccc(-c2nn3c(nccc3Cl)c2I)c1Cl	1390
+c12c(OCO1)cc(c(c2F)I)F	235
+c1(c(I)ccc(n1)N)N	583
+c1(c(F)c(Cl)cc(c1O)C(=O)C)I	235
+C(c1cc(cc(I)c1O)F)(=O)OC	235
+c1c(ccc(c1F)Cc2cc(c(nc2)O)I)F	583
+n1[nH]c(c2cc(c([N+]([O-])=O)cc12)Br)I	2866
+c1cc(cc(F)c1F)-c2n3c(nc(Cl)c2)c(c(C)n3)I	1390
+c1ccccc1-c2nc(N)ncc2I	1154
+c1cc(ccc1)-c2nnc3c(c([nH]n3)I)c2Cl	4744
+c1ccccc1CON2c3c(C(=C(I)C2=O)OCc4ccccc4)cncn3	10007
+c1cc(ccc1-c2cc(c(cc2)O)I)C#N	235
+c1cc(ccc1-c2ccc3c(c(nnc3c2)I)O)S(=O)(=O)C	10008
+c1cc(ccc1-c2ccn3c(cnc3c2)I)F	3115
+c1cc(ccc1F)-c2c(I)n3cccc(Cl)c3n2	3115
+c1cc(ccc1-c2c(n(c(-c3ccccn3)n2)C)I)C(OC)=O	10009
+c1c(cc(c(N)c1)C#N)I	235
+c12cc(I)ccc1[nH]c3c2cccc3	235
+c1cc(ccc1I)C2C(OC(=O)C)CCCC2	235
+c1ccccc1COC(Nc2cc(I)cnc2O)=O	583
+c1ccccc1COC(=O)N2CCC34C(CCCC3)C2Cc5cc(c(cc45)O)I	235
+c1ccccc1COCc2c(c(ncn2)O)I	1154
+n1c2n(ncc(-c3cc(ccc3)C(=O)OC)c2)c(I)c1	3079
+n1c(Br)sc2n1c(I)cn2	4918
+n1c2n(nc(cc2)Br)c(I)c1	3079
+c1c(C(=O)OC)c(c(c2n1c(I)cn2)F)Nc3c(F)cc(C)cc3	3115
+Nc1ncc(cc1I)C(=O)OC	583
+Cc1n(-c2ncccc2)ncc1I	1160
+c1c(ccc(-c2nc3sccn3c2I)c1F)F	10010
+c1(c2c(ncc1)c(I)c[nH]2)C	3114
+O=C1CCC(=O)N1OC(=O)CCc2cc(C=Nc3c(O)cccc3)c(cc2)O	884
+c12-c3ccccc3C(c1cccc2)COC(NC(C(=O)ON4C(CCC4=O)=O)C(C)C)=O	884
+O=C1CCC(=O)N1OC(=O)c2c(cc(cc2)Br)Cl	10011
+C1CC(CCC1C(NCc2c(O)nc(nn2)N)=O)C(=O)OC	1280
+c1ccccc1COC(=O)N(C)Cc2[nH]c3ccccc3c2	613
+O=C1CCC(=O)N1OC(=O)c2c(OCCCN=[N+]=[N-])ccc(c2)C(=O)C	4919
+O=C1CCC(=O)N1OC(c2c(ccc(C(=O)C)c2)OCC#C)=O	4919
+C(N1CCC(C(C1)N(c2c3c([nH]cc3)ncc2)C)C)(CC#N)=O	10012
+c1cc(ccc1)CN2CC(NC(=O)ON3C(=O)CCC3=O)CCCC2	2834
+C(C(O)CCC1CCC(=O)N1)c2cccc(F)c2	100
+c1ccccc1C(N2C(OCCCCCC)CCC2=O)=O	3417
+C1(=CC(CCC1)=O)Nc2cccc(OC)c2	4407
+[nH]1c2ccccc2c3c1CCCC3=O	4920
+Clc1cc2c3C(CCCc3[nH]c2cc1)=O	4920
+c1(ccc(N)c(F)c1)N2CCCCC2=O	883
+c1ccccc1CSc2cc(F)cc(c2OC)N3C(=O)CCCC3	654
+c1ccccc1COc2c(cc3C(CCc3c2)=O)O	22
+O=C1CN(C(=O)c2cc(c(Oc3c(O)cc(CC)c(c3)F)cc2)F)CCN1C	5
+c1cc(ccc1-c2cc(C#N)nc3c2ccc(CN4C(CN(C)C4=O)=O)c3)F	10013
+c1cc(ccc1)CSc2cc(Nc3cc(Cl)ccc3)nc4c(cnn24)C=C5NC(=O)NC5=O	2021
+c1cc(ccc1)C(c2ccccc2)C3CCN(CC3)C(=O)COCC(=O)O	319
+O=S(=O)(C)OCc1c(non1)C=2N(c3ccc(c(c3)Cl)F)C(ON=2)=O	7
+O=C1c2cc(N)ccc2N=C(CF)N1c3ccc(cc3C)C	0
+c1c2N(C(=O)N(C(c2n[nH]1)=O)C)CCCC	10014
+c1cc(ccc1)COc2cccc(Oc3c(N)cc4c(N(C(=O)N4C)C)c3)c2	304
+n1(ncc(C=2c3cc(OC)c(OC)cc3C(=O)N(CC)C=2)c1)Cc4c(cccc4)F	309
+c1cnccc1-c2ncnc(N=C=S)c2	3116
+c1cc(ccc1)Oc2cc(ncn2)N=C=S	3116
+c1(ccc(Cl)c(Cl)n1)N=C=S	3116
+O=C1N(CCO1)c2ccc(N)cc2Cl	0
+c1cc(ccc1Cl)C(O)c2c(Oc3cncc(c3)Cl)cnc4N(C(=O)N(CCCOC5CCCCO5)C(=O)c24)C	10015
+O=C1N(c2cc(OC)ccc2C(C)=C1)CCN3CC(C(=O)O)N(CC3)CCc4ccc5c(c4)OCCO5	3
+O=C1c2c(cccc2)N=C(C=Cc3cccc(c3O)OC)N1c4ccc(c(c4)Cl)Cl	2066
+c1(cccc(Cl)c1C(=O)N2C(=O)N(c3ccc(c(c3)F)F)OC2=O)Cl	10016
+N1C(=O)C2(C(NC1=O)=O)Cc3cc(c(c(F)c3N4CC(C)OC(C)C24)F)C=O	39
+n1c(ccnc1SC)C=C2SC(NC2=O)=O	10017
+O=S(=O)(N)N1CCN(CC1)c2c3c(cnc2)cc(C=C4C(=O)NC(=O)S4)o3	2025
+c1(C)cc(cc(C)c1)C=C(C(O)=O)c2ccc(cc2)Oc3ccc(cc3)C=C4SC(=O)NC4=O	377
+c1c(cccc1-n2c(ncc2)C)Nc3ccn4c(n3)c(cn4)C=C5SC(NC5=O)=O	3768
+c1cc(ccc1)-c2ncnc3ccc(C=C4C(=O)NC(=O)S4)cc23	377
+c1cc(ccc1)CN2C(=O)c3ccccc3-c4cc(C=C5C(=O)NC(=O)S5)ccc24	377
+c1cc(ccc1)Cn2c3c(c(ccc3)C=C4C(NC(=O)S4)=O)cc2	377
+c1cc(ccc1)N(Cc2ccc3c(ncc(C=C4C(=O)NC(=O)S4)c3)c2)C	4921
+c1cc(ccc1-c2cc(CN(C(c3ccccc3)=O)C)ccc2)C=C4SC(=O)NC4=O	377
+c1cc(ccc1C=C2SC(=O)NC2=O)-c3cccc(C(OCC)=O)c3	377
+c1cc(ccc1C=C2SC(=O)NC2=O)OCC(Cl)c3ncc(cc3)CC	377
+c1cc(ccc1C=C2C(NC(=O)S2)=O)OCCN(c3nc4ccccc4s3)C	377
+c1cc(ccc1OC)-c2cc(Oc3ccc(cc3)C=C4C(NC(=O)S4)=O)ccc2	377
+c1cc(ccc1OCCCC(O)=O)C=C2SC(=O)NC2=O	377
+c1cc(ccc1OCCN(c2ncccn2)C)C=C3SC(=O)NC3=O	377
+c1cc(ccc1C=C2SC(=O)NC2=O)OCCc3ccc(cc3)C#N	377
+c1cc(ccc1OCCc2ccc(cn2)C(C)OCOC)C=C3C(NC(=O)S3)=O	377
+c1ccccc1C(=O)N(C)CCOc2ccc(cc2)C=C3SC(=O)NC3=O	377
+c1cc(ccc1C=C2SC(=O)NC2=O)SCCc3ccccc3	377
+c1ccccc1CN2c3c(CCC2=O)c(ccc3O)C=C4C(NC(=O)S4)=O	377
+c1ccccc1COc2cc(ccc2O)-c3ncc(cc3)C=C4SC(=O)NC4=O	4921
+c1cnccc1-c2ccnc3ccc(C=C4C(=O)NC(=O)S4)cc23	377
+c1cc(ccc1F)NC2=CC(NCC2)=O	10018
+N1c2c(cccc2F)NCCC1=S	199
+O=Cc1ccc2c(NC(=O)CS2)n1	178
+c1c(c2c(c3ccccc13)c(O)ccn2)OCCC	2197
+O=C1OC(C)(C)OC(=O)C1=CNc2cc3c(cc2OCCC)cccc3	10019
+CC1(C)OC(=O)C(C(=O)O1)C(c2c[nH]c3c(cccc23)CSC)c4ccc5sccc5c4	4922
+c1cc(ccc1C(c2c3cccc(CSCC)c3[nH]c2)C4C(=O)OC(C)(C)OC4=O)Cl	4922
+c1cc(ccc1Cl)C(c2cc(c(cc2)NC(=O)CC(O)=O)Br)=O	4923
+O(C)c1c(NC(=O)CC(=O)O)cccc1	4923
+c1cccc(N)c1C(NCCc2ncc[nH]2)=O	1338
+C=1N(C(c2c(cccc2)N=1)=O)c3c(c(ccc3)-c4cnc(c5[nH]c6c(ccc(OCCOC)c6)c45)C(N)=O)C	10020
+c1cc(ccc1NC(c2ccccc2N)=O)CC(=O)OCC	1768
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CN(C)C(c4c(N)cccc4)=O	10021
+O=C1OCCc2c(ccc(N)c2)N1C	0
+O=C1OCc2cc(ccc12)-c3ccc(OCC)c(OC)c3O	241
+c1(cc2c(cc1)N(C(=O)O2)CC=C)C=O	10022
+O=C1c2c(C(=O)N1C(c3c(Cl)nc4c(ccs4)c3)C)cccc2	2669
+c1ccc2c(c1)C(=O)N(C2=O)C3Cc4c5c(ccc(c5)C#N)[nH]c4C3	518
+c1cc(ccc1)COCCC(F)(F)CN	45
+C1COCCC1(CN)F	45
+O=C(c1c(ccc(C)c1)-c2cnn(C)c2)N3CCCC(C3CN)C	45
+C(CC#Cc1cccc(CF)n1)N	45
+C1CN(CCC1)c2c3NCCN(CCN)c3nc(n2)C#N	45
+c1(cc(Oc2cc(c(cc2I)Cl)Cl)ncc1)OCCN	45
+c12c(cccc1)ccc(OCCN)c2	45
+c1cc(cc2c1Sc3c(nccn3)N2COC)CN	45
+c1(cccc2cnccc12)OCC(C)N	45
+n1c(c(cc2ccsc12)C(C)N)-c3ncccc3	45
+O=C1c2c(cccc2)C(=O)N1C(c3ccc(cc3)-c4c(O)nccc4)C	104
+C1CN(CCN1CCCN)Cc2ccccc2	45
+O=S(=O)(c1ccc(c(O)c1)N2C(=O)c3c(C2=O)cccc3)N(C)C	668
+O=C1c2ccccc2C(=O)N1Cc3ccc(SC)cc3F	672
+C1(=O)c2ccccc2C(=O)N1Cc3sccc3	672
+O=C1c2c(cccc2)C(=O)N1c3cc(cc(F)c3)Oc4cccnc4	668
+C1(=O)c2c(C(=O)N1c3cc(c(c(O)c3)C)C(O)=O)cccc2	668
+c1c2c(ccc1)n(CC)c(C)c2C(=O)c3c(C(O)=O)cccc3	10023
+O=C1c2ccccc2C(=O)N1c3ccc(C=CC(N(C)Cc4n(C)c5c(c4)cccc5)=O)cn3	1765
+c1ccc2C(=O)N(C(=O)c2c1)c3ccccc3[N+]([O-])=O	668
+c1ccccc1C(CO)N2C(c3c(C2=O)cccc3)=O	672
+c1cc(ccc1-c2c(c(sc2)N3C(c4c(C3=O)cccc4)=O)C(=O)OCC)CC	10024
+c1cc(ccc1C(C)N2C(c3c(C2=O)cccc3)=O)Br	672
+c12c(cccc1)C(=O)N(C2=O)CCCCc3ccc(cc3)O	672
+c1ccc2CC(Cc2c1)N3C(c4c(C3=O)cccc4)=O	672
+c1ccc2C(=O)N(C(=O)c2c1)c3cc(-c4ccccc4)n[nH]3	1765
+c1cc(ccc1C(c2ccccc2C(=O)O)=O)C(C)C	1943
+c1ccc2c(c1)C(=O)N(C2=O)CCc3cc4c5c(nc(CCOC)n5CCCN6C(CCC6)=O)cnc4cc3	4924
+c12c(cccc1)C(=O)N(C2=O)CCCCC(O)c3ccccc3	74
+c1ccnc2c1CCCC2N(CCCCN)Cc3n(c4ccccc4n3)C	45
+c12c(cccc1)C(=O)N(C2=O)CCCNc3ccc(cc3F)C4=CC(=O)c5c(O4)c(F)cc(c5N)F	621
+c1cc(ccc1)C(CC)NC(c2c(OCCN)c(-c3ccccc3)nc4c2cccc4)=O	45
+c1cc(ccc1-c2c(-c3c(cccc3)Cl)nc(c(c2)C#N)OCCN)Cl	45
+S(CCN)Cc1oc(cc1)CO	45
+c1c(C(OCC)=O)c2cc(OC)cc(OC)c2c(CN)n1	45
+c1(Cl)cccc(Cl)c1-c2nc3c(c(ncc3)Nc4ncnc(c4)CN5C(=O)c6ccccc6C5=O)s2	4925
+CN(C)CCc1nnc2n1-c3ccc(F)cc3C(c4c(cccc4)Cl)=NC2	4926
+O=C1c2ccccc2C(=O)N1OCCN=[N+]=[N-]	558
+c12c(C(=O)N(C1=O)c3cc([N+]([O-])=O)c(cc3F)Cl)cccc2	31
+c1(cc(nn1Cc2ccccc2OC)N)C	1131
+C1(C)c2ccc([N+]([O-])=O)cc2C(=O)C1	31
+C(Nc1cc(F)ccc1)(Nc2cc(Cl)c(cc2)C=O)=O	124
+c1(cc(c(Cl)cc1F)C(=O)O)C	595
+Clc1c(cc(c(c1)F)C(=O)O)OCC=C	595
+c1(Cl)cc(cc(Cl)c1C(=O)O)SC	634
+c1(c(c2[nH]ccc2cc1Cl)C(=O)O)F	10025
+Cc1cc(cc(C)c1C(O)=O)OCC2CN(C)c3ccccc3O2	595
+c1c(CO)c2n(C)c(cc2cc1)C(=O)O	10026
+C(c1cc(C)c(cc1)C#N)(=O)O	595
+n1[nH]c2ccc(C(=O)O)cc2c1CCC	595
+o1c2c(cc(C(=O)O)cc2)c(c1CO)C	595
+c12ccccc1-c3ccc(C)cc3C2C(O)=O	10027
+c1c(oc2c1cc(C(=O)O)cc2)CC	595
+c1cc(ccc1)-c2ccc(cc2Cl)C(=O)O	595
+c1ccccc1Oc2cccc(Oc3ccccc3)c2C(O)=O	634
+c1cc(ccc1C(=O)O)SCCCCCCCCCC	595
+c1cc(ccc1)-c2c(C(O)=O)c3CCOc3cc2	10028
+c1cc(ccc1)COc2c(c(c(cc2)C(=O)O)F)F	634
+c1c2c(csc2ccc1)C(C(O)=O)Nc3cccc(F)c3	10029
+COc1c(F)ccc(C(Nc2cccc(c2)C(=O)N)C(=O)O)c1	4927
+C(O)(=O)C(Nc1cccc(C(=O)N)c1)c2ccc(c(CC)c2)CCOC(Nc3cccc(C#N)c3)=O	4927
+c1c2c(ccc1OC)cc(Br)cn2	10030
+c1cc(c(c(F)c1OCC)F)C=2[Se]C(=CC=2)C=CC	4928
+c1(cc(F)ccc1)C2=C(N=C3N(C(=CC=C3)C)C2=O)C(C)O	10031
+c1c2n(ccc1)ccn2	1935
+c1c(cc(c(Nc2c(C(=O)OC)cn3c(c2Cl)ncc3)c1)Cl)Br	4363
+c1ccccc1-n2ccnc2-c3cc(ccc3)OC	10032
+c1cc(ccc1-c2c[nH]c(n2)C3N(C(C(C(C)C)Nc4sccn4)=O)CCC3)Br	3030
+c1cc(ccc1CCc2sccn2)[N+]([O-])=O	10033
+c1n2c(nc1)cc(-c3cc(ccc3)C(=O)OC)cn2	3117
+c1ncncc1-c2c(-c3ccc(cc3)NCCCl)[nH]c4ncc(Cl)cc24	291
+c1c2n3c(c4cc(ccc4c2ccc1)OC)ncc3	10034
+c12nccn1cc(C#N)cc2	1935
+n1c2cc3c(cc2oc1C)CCN(CC3)CCCl	61
+c1n2c(nc1)cc(C)c(Cl)n2	3117
+c1n2c(nc1)ccc(F)n2	3117
+C(CNc1cccc2cccnc12)O	839
+c1ccccc1NCCO	291
+c12c(cncc1)[nH]c3c2c(ncn3)O	3364
+c12c(ncnc1nc(C)cc2)O	10035
+n1c2c3ccccc3oc2c(nc1)O	10036
+c1c(cc2c(ncnc2c1)O)Br	1116
+c1cc(ccc1Br)-c2ncoc2	10037
+c1cc(ccc1F)-c2c(c3c(c(c2)OC)ncnc3O)Cl	1116
+c1cc(ccc1-c2cc3c([nH]2)ncnc3O)[N+](=O)[O-]	10038
+C(C)OC(=O)c1ccnc(c1)C(=O)N	10039
+c1cc(ccn1)OCCOc2c(cc3c(ncnc3c2)O)OC	4929
+c1c2c(c(N)ncn2)ccc1	10040
+c1ccccc1CN2C3(CC3)CN(CC2)c4cc5c(cccc5)c(c4)CC(=O)N	2125
+c1ccccc1COc2c(OC)cc3ncnc(O)c3c2	4870
+n1(-c2ccc3c(c(ncn3)O)c2)ccnc1	4929
+n1sc2c(c1-c3cc(C)ccc3)ncnc2O	10041
+O=Cc1c(cncc1C)F	10042
+c1ncncc1CC(C(OC)=O)C=O	10043
+n1c(cncc1)C(c2c(Br)c(C)ccc2)O	10044
+O=Cc1cc(c(C)cc1-c2ccc(c(F)c2F)F)OCC	11
+C(O)c1c(Br)cccc1Cl	41
+c1ccccc1CCCC(c2sccc2Br)O	10045
+c1cc(ccc1-c2ccsc2C=O)Cl	1074
+c1(cccc(C)c1Nc2c(-c3c(C(O)=O)cccc3)nc4ccc(cn24)F)C	1891
+C=Cc1c2ccccc2[nH]c1C(NC)=O	10046
+c1cc(ccc1C(C)C)C(O)c2c(C)cc(C)cc2O	257
+Cc1c(OC)cc(C)c(C(C)O)c1	449
+c1cc(ccc1N=Cc2c(C)ccc(F)c2)C(OCC)=O	457
+c1c(cc(CC(c2c(Cl)cccc2F)O)c(c1)[N+]([O-])=O)Br	10047
+Clc1c(C=C)c(F)ccc1	4930
+n1c(c(cc2c(Cl)cccc12)C=O)-c3cc(ccc3)F	691
+c1(F)c(I)cccc1C=NO	135
+Clc1ccc(C=NO)c(F)c1C(=O)OC	135
+c1(c(F)c(F)c(C=O)cc1)Oc2ncc(C#N)cc2	136
+c1(Cl)c(CO)c(F)cc(C)c1	41
+N#Cc1cc(c(cc1F)CO)F	41
+c1cc(cc(c1)-c2ccc(F)c(c2)CNc3c(c(OC)ccc3F)C#N)F	208
+O=S(=O)(F)c1cc(ccc1)N=Nc2cc(c(O)c(Cl)c2)C=O	725
+Oc1c(C=O)ccc([N+]([O-])=O)c1O	5
+c1cc(ccc1-c2ccc(c(O)c2F)C=O)F	11
+c1cc([N+]([O-])=O)cc(-c2c(c(cc(C(CC(O)=O)C(=O)O)c2)-c3nc4c([nH]3)ccc(C(=N)N)c4)O)c1	622
+O=C(c1cc2c(CCC3C4CCC(=O)C4(CCC23)C)cc1OC(=O)C)O	1182
+c1(c(CO)cc(cc1Br)Br)OC	41
+COc1c(C(C)O)cc(cc1C)F	449
+c1c(c(OC)c(OC)cc1)C=COC	1417
+O=Cc1c(OC)c(Oc2cc(ccc2C#N)OC)ccc1	46
+O=Cc1c(F)ccc(O)c1O	5
+c1(OC)c2c(ccc1C(=O)O)CCC2	1775
+Fc1cc(C)c(OC)cc1C	3072
+[N-]=[N+]=NCCCOc1cc(OC)c(cc1)C=O	267
+C(O)c1cc2c(cc1OC)ncnc2Nc3cccc(Cl)c3F	41
+c1cc(ccc1OCCOCCCC)-c2ccc3N(CCC(=Cc3c2)C(=O)OC)Cc4c(OC)ccc(OC)c4	3043
+c12c(Br)cccc1cc(C(=O)OC)s2	1425
+c12cc(ccc1NC(=O)C2=Cc3c(c(C(=O)O)c(C)[nH]3)C)F	292
+c1(c(cccc1C)C#N)Cl	1421
+c1cnccc1-c2cccc3c2C(C(=O)N3)=Cc4c(C)c(CCC(O)=O)c(C)[nH]4	292
+c1(C(=O)O)sc2c(Cl)cccc2c1	4931
+c1(c(ccc(Cl)c1Cl)[N+]([O-])=O)C=O	31
+[N-]=[N+]=Nc1c(cncc1Cl)C=O	1756
+[N+]([O-])(=O)C=Cc1c(c(F)ccc1)C	417
+O=Cc1c(c(F)cc([N+]([O-])=O)c1)F	31
+c1(NC(C)=O)c(F)c(CO)c(Cl)cc1	41
+O(C)c1c(ccc(C=O)c1[N+](=O)[O-])OC	297
+c1ccccc1COc2c(OC)c([N+]([O-])=O)c(C=O)cc2	22
+c1(c(c(C)ccc1C=NO)I)F	135
+Nc1c(F)cc(C(C)O)c(c1Br)F	4932
+COc1c([N+]([O-])=O)cc(c(O)c1OC)C=O	77
+COc1cccc(c1C)C=C[N+]([O-])=O	417
+COc1cccc(C=C(S(=O)C)SC)c1Cl	10048
+COc1cccc(C=NO)c1F	135
+c1(O)c(Br)cc(c(C)c1C=O)[N+](=O)[O-]	77
+Clc1ccc(Br)c(F)c1C#N	4933
+N#Cc1c(c(C#N)c(F)cc1)Cl	1421
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3ccc(-c4ccc(c(OCCCC)c4)C=O)c(c3)C	951
+c1c(OC)c(CC=C)c(O)c(c1)C=O	423
+COc1cc([N+]([O-])=O)ccc1-c2cnco2	2288
+c1(cc(-c2cc3ccccc3s2)c(cc1OC)OC)C=O	2187
+c1cc(ccc1)COc2cc(Oc3ccc(C=O)c(c3)Br)ccc2	46
+O=Cc1c2c(cccc2)ccc1CC	1393
+C(O)c1c(ccc2ncccc12)[N+]([O-])=O	41
+c1cc(nc(F)c1)NCc2c(Cl)cccc2	811
+C1C(=O)C(c2ccccc2Cl)C1	10049
+c12c(CN(Cc3ccccc3Cl)C1)c(Nc4cc5c(nc4)cccc5)ncn2	48
+Cc1c(c(ccc1)Nc2ccccc2C=NO)C	135
+c1cc(ccn1)-c2c3c([nH]n2)ccc(-c4nn(C)c(n4)C5CN(Cc6c(F)cccc6OC)CCC5)c3	48
+c1cc2c(CN(CC2)c3nc(C#N)cc4c(CO)c(n(CC=C)c34)C)cc1	269
+O=Cc1c(nc(SC)nc1-c2ccc(cc2C)F)NC(C)CC	198
+c1(nc2c(OC)cccc2cc1CO)-c3cc(ccc3)F	269
+CN1C(Cc2cc(cc(C#N)c12)Br)C	1421
+[nH]1cc(c2c1cc(Cl)c(c2)-c3cc4OCC(CO)Oc4cc3)C(=O)O	1451
+O=S(=O)(n1c2ccccc2c(c1)C=O)C	4093
+c1cc(ccc1)Cn2cc(c3ccccc23)C=O	190
+c1ccccc1S(=O)(=O)n2cc(c3ccccc23)C=O	367
+c1ccccc1-n2c(Cl)c(c3c2cccc3)C=O	1194
+c1cnccc1C(=O)C=Cc2c3ccccc3[nH]c2C	4187
+c1cc(ccc1CO)-c2c(cc3c(c(C=O)c[nH]3)c2)Cl	11
+[nH]1cc(c2cc(ccc12)CCCl)C#N	4934
+c1cc(ccc1C)S(=O)(=O)n2ccc3c2cccc3C=O	367
+c1cc(ccc1)Cn2ccc3c(cccc23)C=O	190
+[nH]1c2cc(C)ccc2c(C=NO)c1	506
+c1(c2ccncc2c(cc1)Br)C=NO	135
+C(c1c2nc(oc2c(cc1)Br)C)=NO	506
+c1cc(ccc1)C(c2cc(Br)c(c(OC)c2)OCCOC)O	704
+c1cc(ccc1C(O)c2cc(c3c(CCO3)c2)Br)F	704
+c1(OC)cc(CO)cc(Br)c1	41
+c1(OCOC)cc(cc(Br)c1)C=C	443
+O=Cc1cc(cc(-c2cc(ccc2)[N+]([O-])=O)c1O)C(CC(OC)=O)C(=O)OC	11
+Oc1cc(C)c(c2c1CCC2)OC	2286
+O=Cc1cc(C)c(OC)cc1O	5
+c1(ccnc2cc(c(cc12)OC)OC)Oc3c(cc(C)cc3)C=O	242
+C(=C[N+](=O)[O-])c1cc(C)cs1	10050
+Oc1ccc(CCC(=O)O)cc1C=Nc2c(O)cccc2	457
+O(C)c1c(Cl)cc(c(F)c1[N+](=O)[O-])C=O	77
+c1cc(ccc1)C(O)c2cc(Cl)c(OC)cc2O	704
+n1cc(cnc1)C(c2cc3cccnc3c(Cl)c2)O	4677
+O=Cc1cc(c(O)c(Cl)c1)O	5
+c1c(cc2c(oc3c(nc(-c4cc(OC)ccc4Br)nc23)O)c1)Br	10051
+c1c(OC)ccc2sc(C(=O)OC)cc12	1425
+O=S(=O)(OCCOc1ccc(cc1C=O)OC)C	262
+c1cc(ccc1)COCCOc2c(cc(OC)cc2)C=O	8
+c1ccccc1C(=O)c2cc3c(ccc(OC)c3)o2	10052
+c1ccccc1COc2ccc(OC)cc2C=O	22
+C(O)c1c(F)ccc([N+]([O-])=O)c1	41
+C(O)c1c(ccc([N+]([O-])=O)c1)O	41
+c1(cc2c(sc(C(=O)OC)c2)cc1Br)F	1425
+O=Cc1cc(c(O)c(F)c1)O	5
+c1ccccc1COc2c(F)cc(cc2OC)C=O	22
+c1ccccc1COc2c(cc(C=O)c(O)c2)OC	22
+O=Cc1c(c(Cl)c(O)c(O)c1)Cl	2990
+O=Cc1cc(c(OC)cc1O)-c2cccs2	809
+O=Cc1cc(Br)c(cc1Cl)O	5
+c1cc(ccc1OC)C(O)c2c(Cl)cc(c(c2)Br)OCC=C	257
+c1c(c(C#N)cc(c1C)Br)F	4933
+c1ccccc1-c2c(C)c(ccc2)COc3c(Br)cc(C=O)c(O)c3	20
+C(C(CC(=O)O)c1cc(c(O)c(C=O)c1)-c2cc([N+]([O-])=O)ccc2)(OC)=O	4
+COc1c(C(C)O)cc(cc1Cl)F	449
+c1ccccc1COc2c(C=O)cc(C(=O)OC)cc2Br	22
+O=Cc1cc(cc(c1O)O)Br	5
+CC(O)c1cc(cc(c1OC)OC)Cl	449
+c1ncncc1-c2cc(c(OCCC=C)c(c2)F)C=O	4719
+O1c2cc(cc(C(C)O)c2OC1)Br	449
+c1c(c(Cl)cc(-c2c(cc(cc2)O)C=O)c1)OC	11
+O=Cc1cc(ccc1Br)Oc2cc(c(cc2)C#N)C(OC)=O	46
+c1ccccc1COc2c(cc(cc2)C(OC)=O)C=O	22
+C(CCCC)CCOc1ccc(cc1CO)Br	41
+C(CCOc1ccc(cc1CO)Br)CCCCC	41
+O=S(=O)(CC)NCc1cncc(Br)c1	10053
+N1(c2c(C(=O)N(c3ccc(Cl)nc13)C)cc(CO)cn2)CC	269
+O1c2c(OC1)c(Cl)cc(CO)c2	41
+O1c2cc(CO)cc(F)c2OC1	41
+O=S(=O)(c1c2cccnc2sc1C(c3cc4OCOc4cc3C)O)N(COCCOC)c5onc(C)c5Cl	4935
+c12OCOc1cc(c(c2)CO)F	41
+c1(cc2c(c(Cl)ccc2)nc1-c3c(cccc3)Cl)CO	269
+c1(cc2c(c(Cl)ccc2)nc1-c3c(cccc3)F)CO	269
+O=Cc1cc2c(nc1-c3c(cccc3)Cl)c(Cl)ccc2	691
+C(C=Cc1cc2c(nccc2)cc1[N+]([O-])=O)(OC)=O	530
+c1(cc2c(o1)cc(cc2)C(=O)OC)C(C)O	10054
+c1(cc2c(nc(c(c2)C=O)O)cc1O)Cl	5
+c1c2c(ccc1O)nc(Cl)c(c2)C=O	5
+c1c2c(ccc1OC)nc(Cl)c(C=NO)c2	506
+C(O)c1c(nc2ccc(cc2c1)OC)NC	269
+C(O)c1cc2ccc(cc2nc1Cl)F	269
+Cc1c2nc(c(cc2ccc1)C=O)-c3c(OC)cccc3F	691
+O=Cc1c(nc2c(OC)cccc2c1)-c3cc(ccc3)F	691
+n1cc(-c2[nH]c3cc(Br)ncc3c2)oc1	4936
+c1(cc2ncccc2cc1OC)C=COC	10055
+O=Cc1ccc(-c2ccc(cc2F)F)c(F)c1O	5
+O=Cc1c(O)c(c(cc1)Br)F	5
+O=Cc1ccc(nc1)C#N	942
+c1ccccc1COC(c2cc(c(cc2)C=O)F)=O	470
+O=S(=O)(c1c(C(c2ccc(C)cc2C)O)sc3c1cccn3)N(c4onc(c4Cl)C)COCCOC	4935
+c1ccccc1C(C=Cc2ccc(cc2F)C=CC(O)=O)=O	307
+O=Cc1ccc(Cl)c2c1n3CCCN(c4ccc(C#N)cc4C)c3n2	274
+c1cc(ccc1Br)-c2sc(cc2)C(C=Cc3c(c(Cl)c(O)cc3)Cl)=O	307
+c1cc(ccc1Br)NCc2c(-c3ccc(nc3)C(=O)NCCC(=O)OCC)cc(OC)cc2	208
+c1(sc(nc1)NCc2c(cc(OC)cc2)OC)Cl	10056
+C(O)c1ccc(OCC)cc1C	41
+O(CC)C(C=Cc1ccc(OCCOC)cc1O)=O	10057
+O(Cc1ccc(cn1)F)c2cc(F)c(cc2)C=C[N+]([O-])=O	417
+O(c1cccc(c1)F)c2ncc(CC[N+](=O)[O-])cc2	10058
+n1cc(-c2ccc([N+]([O-])=O)cc2C)oc1	2939
+c1ccccc1P(c2ccccc2)(c3ccccc3)=CC(C(OCC)=O)=Cc4c(cc([N+](=O)[O-])cc4)F	2897
+Clc1cc2nc([nH]c2cc1Cl)Sc3oc(C=O)cc3	4248
+c1ccccc1COc2ccc(c(c2C)O)C=O	22
+c12c(C(=O)N(C1=O)Cc3c4ccccc4c(C=O)cc3)cccc2	1930
+O=Cc1c(cc(C#N)cc1)CC	1393
+O=Cc1ccc(OCc2ccc(cn2)F)cc1F	412
+O=Cc1cc(Cl)c(OC)cc1F	662
+Fc1c(C(c2ccc3c(c2)ccc(OC)c3)O)ccc(OC)c1	257
+C(C=Cc1ccc(cc1O)F)(OC)=O	10059
+c1ccccc1COc2cc(O)c(cc2)C=O	22
+c1ccccc1COc2c(ccc(OCOC)c2)C=O	22
+c1cc(CO)cnc1C#N	269
+c1cc(cc(Br)c1Oc2ncc(C=O)cc2)C#N	136
+C1COC(O1)c2ccc(nc2)F	4937
+n1c(OC)ccc(CO)c1	269
+Brc1c2ccccc2ccc1C=C	443
+[N+]([O-])(=O)C=Cc1cccc(Br)c1CC	417
+c1cc(ccc1-c2nc(ccc2)C=O)C#N	119
+c1cc(ccc1OCCOC)C(CC)NC(C(=Cc2nc(Br)ccc2)C#N)=O	4463
+O=S(=O)(c1cc(Br)c(cc1)Oc2c(cccc2C)C=O)CC	46
+c1(cc(CO)ccc1)C=O	41
+c12c(CN(Cc3cccc4c3OCO4)C1)c(Nc5cc6c(nc5)cccc6)ncn2	48
+C1COC(O1)c2cccc3[nH]c(nc23)-c4ccccc4[N+]([O-])=O	4937
+c1c(CO)c2c(cc1)ccn2C	269
+c1cc(ccc1)-c2ccccc2C=O	11
+CCOC(=O)C=Cc1c(cccc1)Br	530
+c1cc(c(CNc2cc(c(Cl)cc2)NC3=C(C(=O)CCC3)C)cc1)C	208
+c1cc(c(C)cc1)C(c2c(C)cccc2)O	257
+N(=Cc1ccccc1F)O	135
+c1cccc(F)c1C(c2ccccc2F)O	257
+O=Cc1ccccc1Sc2ccc3c4c2ccc5cccc(cc3)c45	815
+c1cc(ccc1Cl)Oc2ccccc2C=O	46
+c1(I)ccccc1C=Cc2c(Br)cccc2	1521
+Oc1ccccc1C(C[N+]([O-])=O)O	10060
+c1c(C)c(c(cc1O)C)N=Cc2c(O)cccc2	457
+c1cc(ccc1)Oc2ncccc2NCc3c(O)cccc3	3118
+[N+](=O)(c1cc(c(CCNCc2c(cccc2)OC)cc1OC)OC)[O-]	42
+c1ccccc1CCN2C(Nc3ccnc(c3C2=O)Cl)c4c(cccc4)OC	4736
+c1cc(ccc1C(O)c2c(OC)cccc2)CC	704
+c1ccc2c(sc(n2)C(c3ccccc3OCOC)O)c1	10061
+c1c(C=C)c(ccc1)Sc2ccc3c4c2ccc5cccc(cc3)c45	443
+c1([N+]([O-])=O)c(cccc1)-c2nc3c([nH]2)cccc3CO	622
+C1CCCCC1=Cc2ccccc2[N+]([O-])=O	10062
+n1c2c(cccc2)c([nH]1)C=Cc3c([N+]([O-])=O)cccc3	10063
+C1COC(O1)c2sccc2	10064
+N(Cc1nc2CCOCc2c(O)n1)Cc3cccs3	1466
+c1(C=NO)ccnc2c(Br)cccc12	135
+n1ccc(C(C)O)c2cc(C#N)ccc12	449
+O=Cc1cnc(c2cc(OC)c(OCCCOC(=O)C)cc12)C(=O)c3cccc(OC)c3	3807
+O=C(O)c1cnc(C(=O)c2cccc(OC)c2)c3cc(OC)c(OCCCOC(=O)C)cc13	2038
+Fc1c(OC)cc(OC)c(F)c1NCc2c(Cl)cc(Cl)nc2	2116
+c1cnccc1-c2ncccc2OC3CCN(CC3)Cc4cnn(C)c4	678
+COc1c2n(ncc2C=NO)cc(c1)Br	4938
+O=Cc1n(C)cc(C(=O)O)c1	1
+O(CC)C(C=Cc1n(ccc1)-c2ccc(C#N)cc2C)=O	10065
+n1ccccc1NN=Cc2nc3c(cc2)cc(cc3Br)F	1698
+c12ccc(nc1c(ccc2)O)C=NO	688
+n1c(ccc2ncccc12)CO	453
+Clc1ccc(c(c1)-c2cc(ncc2)C=O)O	835
+c1(cc(cc2nc(nn12)-c3ncccc3)Br)N	10066
+O=C(c1oc(cc1)C#N)O	10067
+c1cc(ccc1-c2ccccc2S(C)=O)CC(O)(c3nc(cn3S(=O)(=O)N(C)C)CC(C)(C)CC)C	2033
+c1cc(ccc1[N+]([O-])=O)S(C2CC2)=O	2033
+CC(C)(C(=O)O)CNC(OCc1ccccc1)=O	2773
+N1(CCN(CC1C)N)C(=O)C	1651
+c1ccccc1COc2cc(ccc2)C(C(C)(C)O)S(=O)(=O)N	4939
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C)C(O)=O	3
+c1cc(ccc1)C=2C=CN(C(=O)C=2C)CCC(S(=O)(=O)C)(C(=O)O)C	3
+CC(C)S(=O)(=O)NC1CCCC1O	118
+CC(C)S(=O)(=O)NCC(C)c1cc2c(cc(OCCNS(=O)(=O)C(C)C)cc2)cc1	111
+O=S(=O)(C(C)C)NCC(C)c1ccc2c(c1)ccc(c2)OCCN	51
+O=S(=O)(C(C)C)NCC(C)c1ccc2cc(ccc2c1)O	5
+CC(C)S(=O)(=O)c1cc([N+]([O-])=O)c(cc1)Cl	31
+O=S(=O)(C(C)C)c1c(N)cc(C=C)cc1	0
+O=S(=O)(O)C(CCN=[N+]=[N-])C(OC)=O	310
+n1ccnn1-c2ccc(cc2)C=3C(F)=CN(CCC(S(=O)(=O)C)(C)C(=O)O)C(=O)C=3	3
+c1cc(ccc1-n2cccn2)CCC(S(=O)(=O)C)(C)C(=O)NO	792
+c1cc(ccc1-c2ccc(cc2)[N+](=O)[O-])CCC(C(=O)NOC3CCCCO3)(S(=O)(=O)C)C	11
+O=S(=O)(C(c1c(C)cc(C(=O)NCOCc2cnccc2)nc1)c3cc(F)ccc3F)c4ccc(cc4)F	10068
+c1ccccc1-c2ncc(CCC(S(=O)(=O)C)(C(=O)NO)C)cc2	119
+O=S(=O)(C(C)(C(OCC)=O)CCn1cc(cn1)-c2cnccn2)C	338
+O=S(=O)(C(CCc1cnc(Br)cc1)(C)C(=O)O)C	3
+O=S(=O)(C(C)(CCN1C(=O)C(=C(c2ccccc2)C=C1)C)C(OCC)=O)C	10069
+O=S(=O)(C)C(C(O)=O)(CCN1C=C(C(=CC1=O)I)F)C	3
+O=S(=O)(C(CCN1C=C(F)C(=CC1=O)C#Cc2ccccc2)(C)C(OCC)=O)C	10070
+O=S(=O)(C)C(CCn1ncc(-c2cnccn2)c1)(C)C(NO)=O	792
+O=S(=O)(C)C1CC(N(C(CC(=O)C)=S)C1)C(OC)=O	4940
+O=S(=O)(C1CN(c2n(-c3cc(Cl)ncc3)nc(C)c2)C(C1)C(O)=O)C	4
+O=S(=O)(CC(C#N)(C)NC(OCc1ccccc1)=O)C	101
+c1cc(ccc1CN(CCCn2c3c4c(nc(N)c3nc2CCCC)cccc4)C(=O)CS(=O)(=O)C)CC(OC)=O	10
+O=S(=O)(C)CCC(Cc1cccc(C#N)c1)(NC(OC)=O)C(O)=O	4
+O=S(=O)(C)CCC(Cc1cccc(C#N)c1)(C(=O)NCC(NCc2sc(C#N)cc2)=O)NC(=O)OC	207
+C(CCN1C(=O)N(c2ncn(c2C1=O)C)C)CCCCCCCC=C	10071
+O=S(=O)(C)OCCCS(=O)(=O)C	7
+O=S(=O)(C)CCCOc1ncc(-c2ccc(F)c(c2)CO)c(C)c1	49
+O=S(=O)(C)CCN1CCN(CC1)c2c(cc(N)c(c2)OC)CC	0
+O=S(=O)(C)CCN1CCN(CC1)c2c(CC)cc(c(OC)c2)[N+](=O)[O-]	34
+c1(c(c(ccc1)C#N)O)F	10072
+O=S(=O)(C)Cc1cc(N2CCOCC2)nc(-c3cc4c(cc3)[nH]nc4)n1	3119
+O=S(=O)(C)Cc1nc(nc(N2CCOCC2)c1)-c3cc4c(C)n[nH]c4cc3	3119
+O=S(=O)(C)c1cc(C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CCOS(=O)(=O)C)ccn1	7
+O=S(=O)(CC)CCCn1c(COS(=O)(=O)C)cc2cc(Cl)ccc12	7
+O=S(=O)(N(c1cccc2cc([nH]c12)C=3SC(CN=3)(C)CCOS(=O)(=O)C)C)c4cccs4	7
+O=S(=O)(C)OCC(C)NS(=O)(=O)c1ccccc1[N+]([O-])=O	7
+O=S(=O)(c1cc(ccc1)Cl)Nc2cc(nc3sc(C#CCOS(=O)(=O)C)c(-c4cc(ccc4)OC)c23)C	10073
+O=S(=O)(Nc1cccc(N2C=3N(C)C(C=C(OS(=O)(=O)c4ccc(cc4)C)C=3C(N(C5CC5)C2=O)=O)=O)c1)C	80
+O=S(=O)(OCCOC1CC2COc3c(F)ccc(F)c3C2(S(=O)(=O)c4ccc(cc4)Cl)CC1)C	7
+O=S1(=O)CCN(CCN1)S(=O)(=O)C	112
+O=S1(=O)c2cc(c(OC)cc2C(c3ccccc3)NC(CC)(C1)CCCC)CCCOS(=O)(=O)C	7
+OB(O)c1cccc(OS(=O)(=O)C)c1	444
+O=S(=O)(OC1c2c(cccn2)CCCC1)C	7
+O=S(=O)(OCC(c1cc(c(cc1)Cl)Cl)CC=C)C	7
+O=S(=O)(C)OCC(c1ccc(Cl)c(c1)Cl)CCOC2OCCCC2	7
+C1CC1(CO)COS(=O)(=O)C	7
+O=S(=O)(OCC1N2C=3N(C1)C(C=NC=3C=CC2=O)=O)C	7
+O=S(=O)(C)OCC1Cc2c(cccc2)C(N1)=O	7
+O=S(=O)(C)OCc1ncccc1	7
+O=S(=O)(C)Oc1ccccc1OC	444
+O=S(=O)(C)OCC1Oc2c3ccc(nc3c(C)cc2C1)O	7
+O=S(=O)(C)OCCCCN=[N+]=[N-]	7
+O=S(=O)(C)OCCCC1Cc2c(C(=O)N1)[nH]c3ccc(OC)cc23	7
+O=S(=O)(OCCc1sc2nc(-c3cccc(C#N)c3)nc(c2c1)N)C	7
+O=S(=O)(C)Nc1ncc(c(C)c1)Br	802
+O=S(=O)(C)Nc1cc(C=O)ccc1	80
+O=S(=O)(Oc1ccc(F)cc1Cl)C	444
+O=S(=O)(C)OC(C)c1c(c(C(=O)NCC)c(c(c1)Cl)C)-c2cc(F)cc(c2)F	7
+c1(cc(cc(F)c1)C(C2CCN(CC2)S(=O)(=O)C)CC(OC(C)C)=O)F	112
+c1(F)cc(cc(F)c1C2=CCN(CC2)C(=O)C3OC(C)(C)OC3)N4C(OC(C4)COS(=O)(=O)C)=O	7
+O=S(=O)(Nc1cn(c(C#N)c1)C)C	1374
+O=S(=O)(C)OCC1CN(C(=O)O1)c2ccc(c(F)c2)N3CC(N(CC3)C)=O	7
+O=S(=O)(C)OCC1CN(C(=O)O1)c2ccc(N3CCN(C(=O)C3)CC)c(F)c2	7
+O=S(=O)(C)OCC1CN(C(=O)O1)c2ccc(N3CC(=O)N(CCOC)CC3)c(F)c2	7
+O=S(=O)(C)OCc1nc(Cl)nc(N2CCOCC2C)c1	7
+O=S(=O)(OCc1c(F)c(ccc1Cl)NC(=O)C)C	7
+O=S(=O)(C)OCCOc1cc(c(cc1F)F)F	7
+O=S(=O)(Nc1n[nH]c2ccc(cc12)[N+](=O)[O-])C	802
+O=S(=O)(C)OCCc1cccc(c1)[N+]([O-])=O	7
+O=S(=O)(C)OCC1c2ccccc2CC1NC(c3cc4sc(c(Cl)c4[nH]3)Cl)=O	7
+O=S(=O)(OCC(CNC(=O)C)c1cccc2ccc(OC)cc12)C	7
+O=S(=O)(C)n1nc(-c2ccnc3ccc(cc23)C#N)cc1	2604
+O=S(=O)(C)OCCCn1nc(-c2cccc(I)c2)nn1	7
+c1cc(ccc1CC23CC(CN2C(N(c4cc(Cl)cc(c4)Cl)C3=O)=O)OS(=O)(=O)C)C#N	7
+c1c(OCC)c(c(cc1CCl)OCC)-c2ccc(cc2)F	438
+O=S(=O)(OCc1c2ccccc2cc(Br)c1)C	7
+O=S(=O)(C)OCc1cc(nc(c1)C)Br	7
+O=S(=O)(C)OCCc1cnn(c1)-c2nccc(C#N)c2	7
+O=S(=O)(C)OCc1coc(COC)n1	7
+c12c(C(=O)N(C1=O)CCCN(S(=O)(=O)c3ccc(cc3)C)CC(F)(F)CCOS(=O)(=O)C)cccc2	7
+O=S(=O)(C)OC1Cc2c(cccc2CC1)NC(=O)C	7
+O=S(=O)(OCCC1c2c(CCO1)cc(-c3cnccc3)cc2)C	7
+O=S(=O)(OCc1cc2cc(Cl)cc(F)c2n1CCC(OCC)=O)C	7
+O=S(=O)(OCCC1OCCc2c1ccc(c2)C(=O)N)C	7
+c12c(cccc1)C(=O)N(C2=O)C(CCCCOS(=O)(=O)C)(C#N)CF	7
+O=S(=O)(OCCOCCc1ccc2c(ccs2)c1)C	7
+O=S(=O)(Nc1cc2c([nH]cc2CC(=O)OC)cc1)C	80
+Cc1cccc(C)c1-c2c(C)c(COS(=O)(=O)C)ccc2	7
+O=S(=O)(NCCOc1cc(C)c(c(c1)C)Br)C	111
+O=S(=O)(C)OCCCn1cnc2ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)cc12	7
+O=S(=O)(C)OCCc1cccc(C2=NN(C(C=C2)=O)Cc3cccc(C(OC)=O)c3)c1	7
+O=S(=O)(OCc1c(C)c([N+](=O)[O-])ccc1)C	7
+O=S(=O)(OCCOc1cc(F)cc(F)c1)C	7
+O=S(=O)(C)Nc1cc(ccc1)-c2csc3cnc(nc23)Cl	80
+O=S(=O)(C)Nc1cccc(-c2c3nc(Cl)nc(N)c3sc2)c1	80
+O=S(=O)(C)Nc1cccc(OCC2OC2)c1	80
+O=S(=O)(C)N1CCC(Nc2cc(c(C#N)cc2)Cl)C1	112
+c1c([N+]([O-])=O)c(ccc1C=CCCl)OCOC	10074
+O=S(=O)(C)OCCOc1ccc2n(cc(CC(N3C4CC4CC3C(=O)NCc5c(F)c(ccc5)Cl)=O)c2c1)C(=O)N	7
+O=S(=O)(NCCn1c(nc2c(ncnc12)N)Sc3cc(OC)ccc3I)C	111
+O=S(=O)(C)OCCOc1ccc(-c2ccccc2F)nc1	7
+c1c(cc2c(OC(C)C(=O)N2)c1)CCl	438
+O=S(=O)(C)OC1CCCN(c2nc3ccc(cc3s2)Br)C1	7
+O=S(=O)(Nc1ccc(cc1Sc2ccc(F)cc2F)C(=O)NCC)C	80
+O=S(=O)(Nc1ccc(C(C)=O)cc1Sc2ccc(F)cc2F)C	80
+O=S(=O)(OCCCN1CCN(C(C=Cc2ccc(c(c2)Cl)Cl)=O)CCC1=O)C	7
+O=S(=O)(OCCc1oc2c(cc(cc2)-c3n4c(ccn4)nc5c3CCC5)c1)C	7
+O=S(=O)(C)OCC(O)CC1c2ccccc2CCc3sccc13	7
+c1c2c(cc(c1)CCl)N(c3c(nccn3)S2)COC	438
+O=S(=O)(OCC(N1c2ccccc2Sc3ccc(C#N)cc13)C)C	7
+O=S(=O)(Nc1c2cc(Cl)c(cc2on1)COc3cc(c(cc3)F)Cl)C	802
+O=S(=O)(OCCn1ncc(-c2cc(-c3nc4ccccc4o3)c(nc2)N)c1)C	7
+O=S(=O)(NCCOCCOc1ccc2c3c(c(nc2c1)N)nc(CCC)s3)C	111
+O=S(=O)(NCCSc1n2ccnc2ccc1)C	111
+O=S(=O)(C)OCCOc1ccc2c(ccnc2c1)-c3c4n(nc3-c5ccccn5)CCC4	7
+O=S(=O)(OCc1cnc(C#N)cc1)C	7
+O=S(=O)(C)Nc1c(cccc1)Nc2c(cnc(Cl)n2)F	80
+O=S(=O)(OC1CN(CC1)c2ccc(cn2)Br)C	7
+O=S(=O)(OCc1c(OC)ccc(I)c1)C	7
+O=S(=O)(C)Nc1c(OC)ccc(c1)Br	80
+O=S(=O)(C)OCc1ccc(C#N)c(F)c1	7
+O=S(=O)(NCc1cccc(CC(=O)OCC)c1)C	111
+O=S(=O)(Nc1cc(OC(OCC)=O)ccc1OC)C	80
+c1cc(ccc1)-c2c(C(=O)Nc3ccc(cc3)S(=O)(=O)N4c5ccccc5SC(C=C4)CCS(=O)(=O)C)cccc2	1887
+O=S(=O)(C)OCCc1c2ccccc2[nH]c1-c3ccccc3	7
+c1cc(ccc1)-c2c(ncn2C3C(CCCC3)OS(=O)(=O)C)C(=O)OCC	7
+c1cc(ccc1)-c2c3c(N(C(=O)N(C3=O)C)C)cn2CC(OS(=O)(=O)C)C	7
+O=S(=O)(OCC(c1ccccc1)C(=O)Nc2cc3c(cncc3)cc2)C	7
+c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C	7
+c1ccccc1C(c2ccccc2)N3CC(C3)NS(=O)(=O)C	111
+c1cc(ccc1)CN2CCC(COS(=O)(=O)C)C2	7
+c1cc(ccc1)COC(=O)N2CC(COS(=O)(=O)C)CCC2	7
+c1cc(ccc1)COC(CCCCS(=O)(=O)C)=O	1887
+c1cc(ccc1)COC(N(c2cccc[n+]2[O-])CCCOS(=O)(=O)C)=O	7
+O=S(=O)(Nc1ccc(c(CN(C(=O)OCc2ccccc2)CC)c1)-c3c(OC)ccc(c3)CC(OCC)=O)C	80
+c1cc(ccc1)COC(=O)c2c3cc(ccc3[nH]c2C)CCOS(=O)(=O)C	7
+O=S(=O)(OCC(c1c(cc(cc1)Br)C)COCc2ccccc2)C	7
+O=S(=O)(OCC(F)(F)COCc1ccccc1)C	7
+O=S(=O)(C)OCCCc1c(cccc1OCc2ccccc2)C(OCC)=O	7
+c1cc(ccc1)COc2ccccc2OCCOS(=O)(=O)C	7
+c1cc(ccc1)N2C(CC(COS(=O)(=O)C)CC2)=O	7
+c1cc(ccc1)NC(NC(CCCCOS(=O)(=O)C)C(=O)N2CCCCC2)=O	7
+c1cc(ccc1)Oc2c(cc(F)cc2)N(C(=O)C)Cc3c(ccc(OC)c3)OCCOS(=O)(=O)C	7
+c1cc(ccc1)Oc2cc(c(cc2C3=CN(C)C(=O)C=C3)NS(=O)(=O)C)C	80
+O=S(=O)(NC(=O)c1ccc(c(-c2c(nccc2)OC)c1)Oc3ccccc3)C	4358
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCCC3(CCCCC3)CCOS(=O)(=O)C	7
+c1cc(ccc1-c2c(c3cc(Br)c(cc3o2)NS(=O)(=O)C)C(OCC)=O)F	80
+O=S(=O)(C)NCc1cccc2c(O)nc(-c3ccc(cc3)CN4CCN(CC4)C)cc12	111
+c1cc(ccc1-c2ccc(C=O)s2)CCl	438
+c1cc(ccc1-c2ccc(cc2)C(C)=NOCCOS(=O)(=O)C)F	7
+c1cc(ccc1C2CC2CCOS(=O)(=O)C)-c3ccc(cc3)C#N	7
+c1cc(ccc1-c2cc3c(cc2)oc(CCOS(=O)(=O)C)c3)C#N	7
+c1cc(ccc1NS(=O)(=O)C)-c2c3nccn3ccc2	80
+c1cc(ccc1-c2csc(-c3c(C)sc(c3)C(=S)OC)n2)NS(=O)(=O)C	80
+c1cc(ccc1-c2nc(COS(=O)(=O)C)cc(N3C(C)COCC3)n2)NC(=O)Nc4nocc4	7
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCCOS(=O)(=O)C	7
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCOS(=O)(=O)C	7
+O=S(=O)(C)OCc1c2c(nc(-c3ccc(cc3)OCOC)c1)n(nc2C)C4CCCCO4	7
+O=S(=O)(C)Nc1cc2oc(c(C(=O)NC)c2cc1Br)-c3ccc(cc3)C#N	80
+c1cc(ccc1-c2sc(cn2)C(Nc3nccc(N4C(COC4=O)C(OS(=O)(=O)C)C)n3)C)Cl	7
+c1cc(ccc1CCOS(=O)(=O)C)-n2c(CC)nc3c2cc(c(C(N)=O)c3)Cl	7
+C1CCCC1(c2ccc(cc2)Br)COS(=O)(=O)C	7
+O=S(=O)(C)OCCCc1ccc(cc1)Br	7
+C1CN(CCN1S(=O)(=O)C)c2ccc(cc2)Br	112
+O=S(=O)(C)OCCC#Cc1ccc(cc1)-c2cn3c(cc(C)cc3)n2	7
+c1cc(ccc1C(Oc2cc(OC)c(OC)cc2)CCCOS(=O)(=O)C)C#N	7
+c1cc(ccc1C(CCOS(=O)(=O)C)n2cncc2)C#N	7
+c1cc(ccc1C#N)CCOS(=O)(=O)C	7
+c1cc(ccc1C(C(Nc2c(-c3cc(OC)c(cc3)OC)nccc2)=O)OS(=O)(=O)C)C	10075
+c1cc(ccc1NS(=O)(=O)C)C(=O)C	80
+O=S(=O)(C)Nc1c2c(ccc1)n(C(CC(=O)OC)(c3ccc(cc3)Cl)CC)cc2	80
+c1cc(ccc1C2(CCC2)C(N3CC(CCC3)COS(=O)(=O)C)=O)Cl	7
+c1cc(ccc1C2(CC3CC2CC3)c4ccc(cc4)-c5nc(on5)COS(=O)(=O)C)OCc6ncccc6	7
+CC1(C)C(=C(c2ccc(cc2)F)c3c(O1)cc(cc3)NS(=O)(=O)C)F	80
+c1cc(ccc1Br)C2=NOC(C2)COS(=O)(=O)C	7
+c1cc(ccc1Cl)C2N(C(C(CC2c3cccc(Cl)c3)(CC=C)C)=O)C(CN(C)S(=O)(=O)C)CC	112
+O=S(=O)(C)OC1CC(OC1)c2ccc(cc2)Cl	7
+O=S(=O)(C)OC1CC(c2ccc(cc2)Cl)OCC1	7
+c1cc(ccc1C=2CCN(C(=O)OCc3ccccc3)CC=2)N4CC(COS(=O)(=O)C)OC4=O	7
+c1cc(ccc1Cl)CC(C(C)OS(=O)(=O)C)c2cc(ccc2)C#N	7
+O=S(=O)(N1CCC(c2ccc(cc2)CC(N)C(=O)OC)=CC1)C	990
+c1cc(ccc1NS(=O)(=O)C)CC(O)=O	80
+c1cc(ccc1CC(OC)=O)CN(CCCOS(=O)(=O)C)CCCN2C(Nc3c(nc(nc23)OCCCC)N)=O	7
+c1cc(ccc1CCCOS(=O)(=O)C)-c2c(F)c(c(cc2)OCC)F	7
+O=S(=O)(C)OCCCc1ccc(cc1)CCCCC	7
+c1cc(ccc1CCNc2c(c(CC)ncn2)C(OCC)=O)CCOS(=O)(=O)C	7
+O=S(=O)(OCCc1ccc(cc1)CCCCCCCC)C	7
+c1cc(ccc1CCOS(=O)(=O)C)OCCCN2CCCCCC2	7
+c1cc(ccc1CCOS(=O)(=O)C)CCOC2OCCCC2	7
+O=S(=O)(C)N(Cc1ccc(cc1)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C)C	112
+c1cc(ccc1-c2c(Br)cccc2)COS(=O)(=O)C	7
+c1cc(ccc1-c2nccnc2)COS(=O)(=O)C	7
+O=S(=O)(OC1CN(C(=O)OCc2ccc(cc2)[N+]([O-])=O)CC1)C	7
+O=S(=O)(OC1CN(C1)c2scc(n2)C(=O)NC3CN(CC3)C(=O)OCc4ccc(cc4)[N+]([O-])=O)C	7
+O=S(=O)(OCCOCCOCCOCc1ccc(cc1)OC)C	7
+c1cc(ccc1Cc2[nH]c3ccccc3n2)C(N4CCC(C4)OS(=O)(=O)C)=O	7
+O=S(=O)(OCCn1ccc2cc(ccc12)C#Cc3ncc(cc3)-c4ccc(cc4)Cl)C	7
+c1cc(ccc1OCCOS(=O)(=O)C)C#Cc2ncc(-c3ccc(cc3)Cl)nc2	7
+O=S(=O)(C)OCCC#Cc1ccc2c(snc2-c3ccc(cc3)Cl)c1	7
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCOS(=O)(=O)C	7
+C1CCCCC1C(c2n(-c3ccc(cc3)Cl)nc4CCCc24)COS(=O)(=O)C	7
+O=S(=O)(C)OCc1noc(C)c1-c2c(C(c3ccc(cc3)Cl)=O)cccc2	7
+O=S(=O)(C)OC1C(c2ccc(cc2)Cl)COCC1	7
+c1cc(ccc1Cl)CNC(=O)C2=CN(c3cc(sc3C2=O)CCl)CC(=O)N(C)OC	1732
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(N(CC)C=2)sc(CCl)c3)=O	1732
+c1cc(ccc1Cl)CNC(C=2C(=O)c3cc(CCl)sc3N(C=2)CCOC)=O	1732
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(N(C)C=2)c(I)cc(CCl)c3)=O	438
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(N(C=2)C)c(c(CCl)s3)C)=O	1732
+O=S(=O)(c1ccc(cc1)Cl)C(c2c(F)ccc(F)c2)c3c(cnc(NS(=O)(=O)C)c3)C	802
+O=S(=O)(C)Nc1c(Br)cc2c(oc(-c3ccc(cc3)F)c2C(=O)OC)c1	80
+O=S(=O)(OCCCN1c2c(C=3C=CC(=O)N(c4c(cccc4)C)N=3)c(-c5ccc(cc5)F)nn2CC1)C	7
+c1cc(ccc1F)-c2n3c(cc2C(OCC)=O)cc(cc3)COS(=O)(=O)C	7
+c1cc(ccc1F)-c2c(c3c(cc(c4OC(C)Cc34)NS(=O)(=O)C)o2)C(OC)=O	80
+c1cc(ccc1F)C(NC2CCN(CC2)S(=O)(=O)C)=O	112
+c1cc(ccc1F)CCN2CCC(C(COS(=O)(=O)C)C2)C	7
+c1cc(ccc1C(=O)N2CC(CC2)OS(=O)(=O)C)I	7
+c1cc(ccc1C(CC2CCCC2)C(=O)Nc3sccn3)NS(=O)(=O)C	80
+c1cc(ccc1NS(=O)(=O)C)C(OCC)=O	80
+c1cc(ccc1N(c2c3c(nc(C)n2)cccc3)C)NS(=O)(=O)C	80
+C1(c2ccccc2C(=O)N1CCCOc3ccc(cc3)NS(=O)(=O)C)=O	80
+O=S(=O)(C)OCCc1cccc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)c1	7
+c1cc(ccc1N2C(=O)C(COS(=O)(=O)C)CC2)Cl	7
+c1cc(ccc1S(=O)(=O)NC(COS(=O)(=O)C)C(Nc2ccc(cc2)CC(OCC)=O)=O)F	7
+c1cc(ccc1OC)-c2nc(oc2-c3ccc(cc3)OCCOS(=O)(=O)C)OC	7
+c1cc(ccc1OC)CCCCOS(=O)(=O)C	7
+c1cc(ccc1OC)CN2C(=O)C(=CC(=N2)COS(=O)(=O)C)Br	7
+c1cc(ccc1OC)COc2cc(COS(=O)(=O)C)c(-c3cc(OC)ccc3F)cc2	7
+O=S(=O)(C)N1CCC(C1)Oc2ccc(cc2)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5	112
+O=S(=O)(OCC(COc1ccc(cc1)C#N)O)C	7
+c1cc(ccc1CCl)OCC=C	438
+O=S(=O)(Oc1ccc(cc1)OCCCc2ccc(cc2)OCc3ccccc3C(OC)=O)C	444
+c1cc(ccc1CC(C)(C(=O)OCC)Oc2ccc(cc2)C(C)C)OCCOS(=O)(=O)C	7
+c1cc(ccc1OCCOS(=O)(=O)C)CC(C)(CCCc2ccccc2)C(=O)OCC	7
+O=S(=O)(C)OCCOc1ccc(cc1)Cc2c(nn3c2nc(cc3C)C)CC	7
+c1cc(ccc1OCc2ccccc2)CCCCOS(=O)(=O)C	7
+O=S(=O)(C)OCCCc1ccc(cc1)OCc2ccccc2	7
+O=S(=O)(Oc1ccc(cc1)OCCc2ccc(cc2)OCc3ccccc3C(OC)=O)C	444
+c1cc(ccc1OCc2ccccn2)-c3nc(CCOS(=O)(=O)C)c(C)o3	7
+C(OC)(=O)C(C(OC)=O)(CNS(=O)(=O)c1ccc(cc1)OCC#CC)N2CCN(CC2)S(=O)(=O)C	112
+O=S(=O)(Oc1cc2c(cc1)OCC(O2)COS(=O)(=O)c3ccc(cc3)C)C	444
+O=S(=O)(C)Nc1ccc(cc1)SCCCCl	80
+c1cc(ccc1[N+]([O-])=O)COC(=O)N2C(COCC(O)=O)CC(OS(=O)(=O)C)C2	7
+c1cc(ccc1[N+](=O)[O-])NS(=O)(=O)C	80
+C1CC(CCN1S(=O)(=O)C)Oc2ccc(cc2)[N+]([O-])=O	112
+c1cc(ccn1)CN(S(=O)(=O)C)Cc2cc(-c3nc(Cl)ncc3)ccc2	112
+O=S(=O)(OCC1ON=C(C1)c2ccc(Br)cn2)C	7
+O=S(=O)(Nc1c(ccc2C(C#N)CCCc12)OC)C	80
+O=S(=O)(C)N1CCCc2c1ccc(Br)c2	1632
+c1cc2nc(SC)sc2cc1CCl	438
+O=S(=O)(C)Nc1c(cccc1)C(=O)OCC	80
+O=S(=O)(Nc1ccccc1C#Cc2c3nc(nn3ccc2)Cl)C	80
+O=S(=O)(C)NC1CCCOc2c1cccc2	111
+O=S(=O)(C)OCCc1cccc2ccc(OC)cc12	7
+O=S(=O)(OCc1ccc(cc1C)-c2c(cccc2)Cl)C	7
+c1cc2c3ccccc3n(c2cc1)CCCOS(=O)(=O)C	7
+O=S(=O)(OCCn1c2cc(-c3ccccc3)cc(C)c2nc1CCC)C	7
+c1ccccc1C(=O)OC2C(F)CN(CC(CC#N)OS(=O)(=O)C)CC2	7
+c1ccccc1-c2nc3c(c(C(=O)NC(CC)c4ccccc4)c2CNS(=O)(=O)C)cccc3	111
+c1ccccc1C(=O)OC2(CC2)CCOS(=O)(=O)C	7
+O=S(=O)(C)OC(c1ccc2nccnc2c1)c3ccccc3	7
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)COS(=O)(=O)C	7
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(COCc4ccccc4)OS(=O)(=O)C	7
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(F)nc(CCCOS(=O)(=O)C)c4	7
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(CCOS(=O)(=O)C)nc4	7
+c1ccccc1C(c2ccccc2)C3OCCC(C3)OS(=O)(=O)C	7
+c1ccccc1C2(CC2)c3nc4c(nc(-c5ccc(cc5F)CCNS(=O)(=O)C)s4)cc3	111
+c1cc(ccc1)CC(CCCc2ccccc2C(=O)OC)OS(=O)(=O)C	7
+c1cc(ccc1)CC2NC3(CCN(CC3)S(=O)(=O)C)N(Cc4ccccc4)C2=O	112
+c1ccccc1COC(NC(COS(=O)(=O)C)C)=O	7
+O=S(=O)(OCCCCNC(=O)OCc1ccccc1)C	7
+c1ccccc1COC(=O)c2ccc(cc2)-c3cc(C)c(c(c3)C)OCCOS(=O)(=O)C	7
+c1ccccc1COC(N2c3c(cc(N4CC(COS(=O)(=O)C)OC4=O)cc3)CCCC2)=O	7
+c1ccccc1COC(=O)NC(COS(=O)(=O)C)COC	7
+c1ccccc1COC(=O)NCCCCN(CC)S(=O)(=O)C	112
+O=S(=O)(C)Nc1c(ccnc1)OCc2ccccc2	1374
+O=S(=O)(C)OCc1c(ccc(C=O)c1)OCc2ccccc2	7
+c1ccccc1COc2ccc(cc2)N(c3ccc(cc3)C(COS(=O)(=O)C)C)C	7
+c1ccccc1COc2c(cc(CN(CCc3ccccn3)C(=O)CCCCc4ccccc4)cc2)COS(=O)(=O)C	7
+c1ccccc1COc2ccc(cc2NS(=O)(=O)C)OCC#N	80
+O=S(=O)(C)OCCNc1ccccc1	7
+c1ccccc1Nc2cc(N3CCN(CC3)S(=O)(=O)C)ccc2[N+]([O-])=O	112
+c1cc(ccc1CC(Oc2ccccc2)C(OCC)=O)OCCOS(=O)(=O)C	7
+O=S(=O)(C)OCCCCCCCCCCCOc1ccccc1	7
+O=S(=O)(C)OCCCCCCCOc1ccccc1	7
+c1ccccc1OCc2oc(c(CCOS(=O)(=O)C)n2)C(=O)OCC	7
+O=S(=O)(Nc1cc(ccc1Oc2ccccc2)O)C	80
+O=S(=O)(Nc1c(Oc2ccccc2)ccc(c1)OC)C	80
+c1ccccc1P(c2ccccc2)(=O)c3ccc4c(cccc4)c3-c5c6c(ccc5NS(=O)(=O)C)cccc6	80
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCc3cccc(CCl)c3	438
+O=S(=O)(Nc1c(cccc1)-c2ccncc2)C	80
+O=S(=O)(N1Cc2c(CC1)c(ncc2)Nc3cc(-c4cc5ccccc5cn4)c(C)cc3)C	112
+C1CC(CCC1OS(=O)(=O)C)Oc2ncc(cn2)CC	7
+c1nc2Nc3cc(ccc3Sc2nc1)CCl	438
+O=S(=O)(C)OCc1ccc2c(sc(n2)Br)c1	7
+O=S(=O)(n1c(C)c(c(C)n1)-c2ccc3n(c(cn3)C(Nc4c(C)ccc(-c5noc(n5)C)c4)=O)c2)C	2604
+O=S(=O)(OCCc1cc(ccc1)Nc2ncc3CC(c4c(cccc4)-c3n2)c5c(cccc5)F)C	7
+O=S(=O)(OCc1cnc(cc1)F)C	7
+O=S(=O)(C)OCCn1c2c(c3nc(-c4occc4)nn3c(n2)N)cc1	7
+n1cc(cnc1N2CCC(CC2)CCCOS(=O)(=O)C)CC	7
+n1cc(cnc1N2CCC(CC2)OS(=O)(=O)C)CC	7
+n1cc(cnc1N2CCC(CC2)OS(=O)(=O)C)CCC	7
+O=S(=O)(OCCc1c2ccccc2on1)C	7
+O=S(=O)(C)N(c1c(N)cc(Br)cc1)C	0
+c1cc(ccc1N(S(=O)(=O)C)C)C(NCC2N(CCN(c3ccccc3)C2)Cc4ccccc4)=O	513
+O=S(=O)(N(C)c1ncc(c(c1)C)-c2cc(Cl)ccc2OC(C)C(=O)O)C	89
+O=S(=O)(C)Nc1cc(Br)ncc1I	4941
+O=S(=O)(C)Nc1c(I)cc([N+]([O-])=O)cc1	4941
+C1CN(CCC1)c2cc(ccc2N)N(C)S(=O)(=O)C	0
+O=S(=O)(C)N1CC(N(Cc2oc3c(C(=O)N(C)C=C3Br)c2)CC1)C	2693
+O=S(=O)(C)N1CC(Nc2nc(nc(Nc3ccc(c(c3)Cl)F)n2)Cl)CC1	387
+O=S(=O)(C)N1CCN(CC1)C(C(NC(=O)c2ccc(cc2)F)CCCO)=O	21
+O=S(=O)(C)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)c2ccc(cc2)F	4
+O=S(=O)(C)N1CCN(CC1)C(=O)C(CCCNC2C(C2)c3ccc(cc3)F)NC(c4ccc(cc4)F)=O	110
+O=S(=O)(C)N1CCN(CC1)C(=O)C(CCC=O)NC(c2ccc(cc2)F)=O	24
+c1nc(ncc1CC)N2CCC(CC2)CCCOc3cc4CCN(S(=O)(=O)C)Cc4cc3	262
+c1cc(ccc1Cl)C(=O)c2ccc3N(S(=O)(=O)C)CC(c4cccc(Cl)c4)c3c2	222
+c1cc(ccc1)-c2c(c3ccc(cc3[nH]2)OC)Cc4nc(C(=O)NS(=O)(=O)C)ccc4	741
+O=S(=O)(C)NC1CCCCC1N2C(=O)c3c(C(C(=O)O)C2c4c(cc(cc4)Cl)Cl)cccc3	3
+O=S(=O)(Cc1ccccc1)NC(C2c3ccccc3C(=O)N(C4C(CCCC4)NS(=O)(=O)C)C2c5ccc(cc5Cl)Cl)=O	344
+O=S(=O)(C)NCCc1cc2ccc(cc2cc1)OCCNC(c3ccccc3)=O	93
+O=S(=O)(C)NCCc1cc2c(cc(OCCN)cc2)cc1	51
+O=S(=O)(C)NCCc1ccc2c(ccc(O)c2)c1	5
+O=S(=O)(C)NCc1c(F)cc(C(C)C(O)=O)cc1	3
+O=S(=O)(C)NCc1cc(cc(-c2c(c(N)ccn2)N)c1)F	13
+c1cc(ccc1-c2c(C(=O)O)c3c(o2)cc(c(Br)c3)NS(=O)(=O)C)F	1
+O=S(=O)(Nc1ccc(C=O)cc1F)C	674
+C1CC(CCN1c2ccc(cc2)C(=O)NCCC(=O)OCC)NCC(O)c3cc(NS(=O)(=O)C)c(O)cc3	87
+C1CC(CCN1c2ccc(cc2)C(=O)O)NCC(O)c3cc(NS(=O)(=O)C)c(O)cc3	87
+O=S(=O)(C)Nc1cc(ccc1O)C(O)CNCCc2ccc(cc2)OCCOCc3cc(ccc3)C#N	132
+O=S(=O)(C)Nc1c(ccc(c1)N)OC2CCCCC2	0
+O=S(=O)(C)Nc1ccc(cc1OCC2CC2)N	0
+O=S(=O)(C)Nc1c(c(Br)cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)c1)OCc4cccc(c4)N	0
+c1cc(ccc1C2CCN(CC2)C(c3ccc(c(NS(=O)(=O)C)c3)C)=O)CN	107
+O=S(=O)(Nc1c(cccc1)C(O)=O)C	6
+O=S(=O)(C)Nc1ccccc1C(=O)N2CC(C(=O)O)CCC2	3
+O=S(=O)(C)Nc1cccc2n(ccc12)C(CC)(c3ccc(cc3)Cl)CCO	95
+O=S(=O)(Nc1n[nH]c2ccc(NS(=O)(=O)c3cc(F)ccc3)cc12)C	69
+O=S(=O)(C)n1c(cc2c1cc(Br)nc2)-c3cnn(C)c3	4711
+c1ccccc1CN(Cc2ccccc2)CC(c3c(ccc(NS(=O)(=O)C)c3)F)=O	676
+O=S(=O)(Nc1cc(ccc1)C(C)O)C	449
+O=S(=O)(Nc1cc(Nc2c(cc(cn2)OCCOC)-c3nc(nc(N)n3)C)cnc1C)C	2097
+O=S1(=O)c2cc(ccc2N=C(C3=C(C4C(CCC4)N(Cc5cc(C)c(cc5)F)C3=O)O)N1)NS(=O)(=O)C	4942
+O=S1(=O)c2cc(ccc2N=C(C=3C(=O)N(C4C(C5CCC4C5)C=3O)Cc6cc(C)c(cc6)F)N1)NS(=O)(=O)C	4942
+c1cc(ccc1F)CN(C(=O)CC2=NS(=O)(=O)c3c(N2)ccc(NS(=O)(=O)C)c3)C4C(C(=O)OC)CCCCCC4	10076
+c1cc(ccc1F)CN(C2CCCCC2C(OC)=O)C(=O)CC3=Nc4c(S(=O)(=O)N3)cc(cc4)NS(=O)(=O)C	10
+O=S(=O)(C)Nc1cc(c(C(NO)=N)cc1)Cl	181
+O(C(=O)CCc1c(cc(OCCC(Oc2c(cc(cc2)CC)Oc3c(cccc3)C)C)cc1)CC)CC	624
+[N-]=[N+]=NC(C)C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O	298
+C1COCCC1C(N=[N+]=[N-])C	298
+[N-]=[N+]=NC(CC)CCCCCC	298
+C(OCCO)C1CC(SC(=O)C)CN1C(OCC=C)=O	4943
+[N-]=[N+]=NC1CCc2c(c(ccc2)NC(C)=O)C1	298
+N(=[N+]=[N-])CC(c1c(F)cnc(Br)c1)(O)C	133
+c1c(c(ccc1O)O)C(OCC(C)CC)=O	10077
+O=C1c2c(C(=O)N1CC(F)(F)CCOCc3ccccc3)cccc2	896
+c1c2c(CCc3ccccc3C2CC(O)CN=[N+]=[N-])sc1	133
+c1ncn(c1)CC(c2ccc(c(c2)Cl)Cl)CCOC3OCCCC3	1193
+O=C1c2c(C(=O)N1CC3(CCOCC3)F)cccc2	896
+CC(OC1CC2C(C(CCC2(C)C1=C)C3(C)C(COC(=O)C)CC(OC(=O)C)CC3)CN=[N+]=[N-])=O	133
+[N-]=[N+]=NCC1OC(=O)N(c2ccc(N3CC(N(CC3)CCOC)=O)c(F)c2)C1	133
+[N-]=[N+]=NCC1OC(=O)N(c2ccc(N3CC(N(CC3)CC)=O)c(F)c2)C1	133
+[N-]=[N+]=NCC1OC(=O)N(c2ccc(N3CC(N(CC3)C)=O)c(F)c2)C1	133
+[N-]=[N+]=NCC1OC(=O)N(c2cc3c(cc2)c(C)no3)C1	133
+N1CC(CN=[N+]=[N-])c2c1cccc2	133
+N(=[N+]=[N-])CC1NC(c2c(C1)cccc2)=O	133
+[N-]=[N+]=NCC1Oc2c(Cl)cccc2C1	133
+O=S(=O)(c1cc(ccc1)F)c2ccc3CCC(CN=[N+]=[N-])Oc3c2	133
+[N-]=[N+]=NCC1Oc2c3ccc(O)nc3c(C)cc2C1	133
+C(COc1ccc(c([N+]([O-])=O)c1)C)C	262
+O=S(=O)(C)OCCCCc1cc2c(cc1)c(ns2)-c3ccc(cc3)Cl	213
+FC(F)=C(CCOC(c1cnc(SC)nc1C)=O)C	1986
+FC(F)=C(C)CCOC(c1cnc(OCCCC)cc1)=O	1986
+c1ccc2C(=O)N(C(c2c1)=O)CCC3CCCN(c4ccc(cc34)Cl)C(c5cnc(cc5)NC(c6ccccc6Cl)=O)=O	896
+[N-]=[N+]=NCCCC1NC(c2[nH]c3c(cc(OC)cc3)c2C1)=O	133
+C(CCc1cccnc1)C(SCC(=O)OCC)CCCCN=[N+]=[N-]	133
+c1cc(ccc1NCCCCCCCCCCCOc2ccccc2)C(OCC)=O	2127
+O=S(=O)(CCCOc1ccc([N+]([O-])=O)c(OC)c1)C	262
+c12c(cccc1)C(=O)N(C2=O)CCCc3ccc(cc3)CCCCC	896
+c1ccccc1COc2ccc(cc2)CCCNc3ccc(cc3)C(OCC)=O	2127
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCN(C)C(=O)OCC	123
+[N-]=[N+]=NC1C(CN(CCN2c3cc(cc(F)c3C=CC2=O)F)CC1)O	2848
+c1ccccc1NCCn2c3ncnc(N)c3c(-c4cc(cc(F)c4)OC)n2	2827
+c1cc(ccc1C(OCC)=O)NCCOc2c3c(ccc2)cccc3	2127
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)C=O	262
+c1cc(ccc1OCCc2ccc(cn2)C(C)OCOC)C=O	885
+c1ccc(cc1CCn2c(cc(C)n2)[N+]([O-])=O)C=3C=CC(=O)N(Cc4cc(C(=O)OC)ccc4)N=3	1593
+COc1cc2c(cc1)cccc2C=C	10078
+c1cc(ccc1CN(C)CCc2cnn(c2)-c3nccc(C#N)c3)F	123
+C1CCCCC1CCCCc2n(c3c(cccc3)n2)CCOc4c(C(=O)OC)cc(CC5C(NC(=O)S5)=O)cc4	262
+c1cc(ccc1C=O)OCCn2ccc3ccccc23	262
+C1CN(CCN1Cc2cc(ccc2OCc3ccccc3)C=O)c4ccccc4	2141
+[N-]=[N+]=NCc1cc(nc(C)c1)Br	2289
+[N-]=[N+]=NCc1ccc(c(c1)F)C#N	2289
+c12cc(OC)c(OC)cc1n(cn2)Cc3ccc4nc(sc4c3)Br	10079
+c1cc(ccc1CN2C(C)(C)CN(Cc3ncc([N+]([O-])=O)cc3)CC2)OC	2019
+CC1(C)OC(C)(C)OC1c2nc(sn2)Nc3c(cc(Sc4ncccc4)cn3)Oc5c(C)nn(C)c5C	10080
+O=S(=O)(C)OCc1ncc(cc1)[N+]([O-])=O	710
+O=S(=O)(C)OCCc1coc2cc(Oc3sc4ccccc4n3)ccc12	710
+c1ccccc1CN2C(C)=CC(C3=C2N(C)C(N(CCCCC(C)OS(=O)(=O)C)C3=O)=O)=O	710
+CC(C)(NS(=O)(=O)C)CNc1c(cnc2c1ccc(OCc3ccccc3)c2)[N+]([O-])=O	2804
+c1ccccc1COc2ccc3c(c2)c4n(c(nc4cn3)COCC)CC(C)(C)NS(=O)(=O)C	2804
+O=S(=O)(Oc1c(cc(OC)c(c1)[N+]([O-])=O)C)C	297
+O=S(=O)(Oc1cc(c(F)cc1Cl)-n2nc(c([N+](=O)[O-])c2C)C)C	1733
+O=S(=O)(C)Oc1cc(c(cc1Cl)F)N	0
+O=S(=O)(Oc1cc(c(cc1Cl)F)NN)C	427
+c1cc(ccc1CCOc2ccc(cc2)OS(=O)(=O)C)CC(C(OCC)=O)OCC	20
+O=S(=O)(C)Oc1cccc(c1)C2(NC(N(C)C2=O)=N)c3ccc(F)c(-c4c(F)ncc(Cl)c4)c3	305
+O=S(=O)(c1c(CO)ccc(Br)c1)C	88
+O=S(=O)(C)c1c(c(C(N2CCN(CC2)c3ccc(S(=O)(=O)C)cc3F)=O)c(F)cc1)F	30
+c1cc(ccc1N2CCN(CC2)C(=O)c3c(ccc(S(=O)(=O)C)c3F)F)C#N	30
+c1cc(ccn1)-c2cccc(c2-c3ccc(cc3)OCc4ccc5ccccc5n4)S(=O)(=O)C	412
+O=S(=O)(C)c1ccc(cc1-n2cncc2)-c3c(nc(N)s3)C	1176
+O=S(=O)(C)c1c2c(c(F)c(F)c1)[nH]c3c2ncc(Br)c3	10081
+O=S(=O)(C)c1ccc(F)cc1NC(c2c(OC)c(C)cc(F)c2)C	60
+O=S(=O)(C)c1c(NC(c2cc(Cl)cc(OC)c2OC)C)cc(F)cc1	60
+O=S(=O)(C)c1c(NC(C)c2cc(cc(Cl)c2OC)F)cc(F)cc1	60
+O=S(=O)(c1c(F)ccc(c1)-c2cc(C=O)ccc2OC)C	11
+O=S(=O)(c1ccccc1-c2c(C(=O)OC)cc3ncc(F)cc3n2)C	10082
+O=S(=O)(C)c1cccc(c1)C2CCCNC2	1446
+O=S(=O)(c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCN)C	18
+O=S(=O)(C)c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCO	237
+O=S(=O)(C)c1cc(C(CCN=[N+]=[N-])NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)ccn1	133
+O=S(=O)(C)c1cc(Cl)c(Oc2c(ccc(CC(O)=O)c2)Cl)cc1	3
+c1cc(ccc1)-c2c(C(OC)=O)c(cc(c2)S(=O)(=O)C)Cl	3022
+O=S(=O)(N(CC(C)C)Cc1ccc(o1)-c2cccc(c2)S(=O)(=O)C)c3c(cccc3)Cl	1242
+O=S(=O)(NCc1sc(cc1)-c2cccc(S(=O)(=O)C)c2)c3cccc(Cl)c3	268
+O=S(=O)(C)c1cc(ccc1)-c2nn3c(ncc3I)s2	4944
+O=S(=O)(C)c1cc(C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CC=O)ccn1	1156
+O=S(=O)(C)c1c(-c2nocc2)c(c(cc1)C(=O)O)C	1
+c1cc(ccc1)CC2CC(c3c(ccc(c3Cl)C(=O)OC)S(=O)(=O)C)=NO2	1820
+O=S(=O)(C)c1cc(F)c(cc1)C(Nc2ccc(cc2F)Br)=S	3120
+O=S(=O)(c1c(cc(cc1)NN)F)C	427
+O=S(=O)(C)c1ccc(NC(=O)c2cc(Cl)ccc2)c(n1)N3CCC(CC3)CC(=O)O	3
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C(O)=O)[nH]3)c2)OC)cn1	1
+O=S(=O)(C)c1ccc(Oc2cc(c3[nH]c(cc3c2)C(=S)N)OC)cn1	742
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C=4SC(CC(=O)O)CN=4)[nH]3)c2)CC)cn1	3
+O=S(=O)(C)c1ccc(Oc2cc3cc([nH]c3c(OC)c2)C4=NCC(S4)CC(=O)O)cn1	3
+O=S(=O)(C)c1cc(Cl)c(cc1)CO	41
+c1cc(ccc1CC(Nc2ccc(cc2)-c3ccc4nc(nn4n3)Nc5c(OC)cc(cc5)S(=O)(=O)C)=O)F	490
+c1cc(ccc1NC(C(c2ccc(cc2)F)C)=O)-c3ccn4nc(Nc5c(OC)cc(cc5)S(=O)(=O)C)nc4c3	490
+O=S(=O)(c1ccc(c(c1)CN(CC)C(=O)OCc2ccccc2)O)C	66
+c1ccccc1C(c2ccccc2)CN3CCCN(Cc4ccc(cc4)S(=O)(=O)C)CC3	61
+c1cc(ccc1-n2cnc(C(OC)=O)c2)S(=O)(=O)C	431
+O=S(=O)(C)c1ccc(cc1)Oc2c3cc(oc3cc(C(OCC)=O)c2)CC	46
+c1cc(ccc1S(=O)(=O)C)N=Nc2ccc(cc2)N(C)CCCCCCO	725
+c1cc(ccc1S(=O)(=O)C)N=Cc2cc([N+](=O)[O-])ccc2	457
+O=S(=O)(c1ccc(cc1)NC(=N)c2ccccc2)C	3121
+c1cc(ccc1C)C(=Nc2ccc(cc2)S(=O)(=O)C)N	1748
+O=S(=O)(C)c1ccc(cc1)Nc2c3nccn3c(cn2)Br	1638
+O=S(=O)(C)c1ccc(cc1)Oc2c3c(oc(CC)c3)cc(C(=O)Nc4ncc(C)cc4)c2	650
+O=S(=O)(C)c1ccc(cc1)Oc2c3cc(CC)oc3cc(C(O)=O)c2	6
+O=S(=O)(C)c1ccc(cc1C#N)-c2sc(nc2C)NC(=O)NCCc3ncc(o3)CC	10083
+C1CCCC1ON=C(C(O)=O)c2ccc(S(=O)(=O)C)c(Cl)c2	4
+O=S(=O)(c1ccc(C(CC2CCC(CC2)=O)C(O)=O)cc1Cl)C	4
+O=S(=O)(C)c1ccc(cn1)Oc2cc(C)c3c(cc(C(=S)N)[nH]3)c2	742
+O=S(=O)(C)c1ccc(cn1)Oc2cc(C)c3[nH]c(cc3c2)C(=O)O	6
+O=S(=O)(C)c1ccc(cn1)Oc2cc(OCC)c3c(c2)cc(C(=S)N)[nH]3	742
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c([nH]c(C4=NCC(CC(=O)O)S4)c3)c(c2)C	3
+O=S(=O)(C)c1ccc(cn1)Oc2cc3cc([nH]c3c(c2)CC)C(N)=S	742
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c([nH]c(C(O)=O)c3)c(OCC)c2	1
+O=S(=O)(c1cnc(cc1)OCCC2CC2C3CCN(CC3)C(OCc4ccccc4)=O)C	640
+c1cc(ccc1C(C)CC)NC(c2ccc(cc2N)S(=O)(=O)C)=O	1768
+O=S(=O)(c1cc2c(CCC(CO)O2)cc1)C	44
+O=S(=O)(C)c1ccc2n(CC(O)=O)c(c(Oc3ccc(cc3)Cl)c2c1)C	4
+O=S(=O)(C)c1cccc(C2CCN(CC2)C(OC)=O)c1F	191
+O=S(=O)(c1c(c(ccc1)C2CCNCC2)F)C	1574
+O=S(=O)(C)c1cccc(NC(=O)Nc2ccc(cc2)Oc3ccnc4cc(O)c(cc34)C#N)c1	16
+O=S(=O)(C)c1cccc(NC(=O)Nc2ccc(cc2)Oc3ccnc4cc(c(cc34)C#N)OCc5ccccc5)c1	446
+c1cc(ccc1Oc2c(C)[nH]c3cc(ccc23)S(=O)(=O)C)F	3122
+O=S(=O)(C)c1cnc(cc1)-c2c(c(CC(O)=O)cc3ccc(cc23)F)C	4
+c1cc(ccc1N2C(=O)N(CC)c3cccnc23)Oc4n(c5c(n4)CCCC5)C	10084
+Cc1nc(nc(c1C(C)CC)Cl)-n2nccc2	10085
+Cc1sc(CNc2c(C)c(nc(n2)OCCCc3[nH]c4c(cccc4)n3)Cl)c(n1)C	3078
+c1cc(ccc1)Nc2ncc(c(n2)C(=O)OC)Cl	1359
+Nc1nc(cs1)-c2nc(SC)ncc2	10086
+c1ccccc1Oc2nccc(C(OC)=O)n2	2914
+c1cc(ccc1N2c3ncccc3N(C(C)C)C2=O)Oc4n(c5ncccc5n4)C	10087
+c1cc(ccc1-c2c(ncnc2OCCOc3ncc(cn3)OC)NS(=O)(=O)CCC)C	3078
+n1(C)ncc(-c2[nH]c3cc(Br)ncc3c2)c1	2550
+O=S(=O)(c1ccc(F)cc1Cl)C2CC(CO)C(C(=O)NC3(CC3)C#N)C2	1974
+c1cc(ccc1CN(C(=O)CC(C(=O)NS(=O)(=O)C2CC2)=O)OC)F	2623
+O=S(=O)(C1CC1)Nc2c(ccc(C(=O)Nc3cc(F)c(cc3)F)c2)F	67
+O=S(=O)(C1CC1)Nc2c3c(nc(C)c2)sc(c3-c4cccc(OC)c4)-c5c[nH]nc5	10088
+O=S(=O)(NC1=C2OCCN2C(C(C)=C1Nc3c(F)cc(I)cc3)=O)C4CCC4	4945
+C1CNCCC1S(=O)(=O)N	62
+c1ccccc1CNS(=O)(=O)C2CCN(CC2)c3ncc(cc3)N	10089
+O=S(=O)(CC(C)(C(=NO)N)NC(=O)OCc1ccccc1)C	609
+O=S(=O)(CC(C)(N)c1nc(on1)C)C	102
+O=S(=O)(CC)Nc1c(F)c(C(=O)c2c[nH]c3ncncc23)ccc1	80
+O=S(=O)(CC)Nc1ccc(c(c1)[N+](=O)[O-])F	80
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4CC5CCC(C4)N5S(=O)(=O)CC	112
+O=S(=O)(N1c2c(F)cc(Br)cc2CC1)CC	1632
+O=S(=O)(Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2[N+]([O-])=O)c1C)CC	80
+O=S(=O)(CC)N1CC=C(c2nc(c(N)nc2)-c3noc(n3)-c4ccccc4)CC1	990
+c1cc(ccc1C(CC)(CC)c2c[nH]c3c2cccc3NS(=O)(=O)CC)F	1374
+c1cc(ccc1NS(=O)(=O)CC)Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC	80
+O=S(=O)(N1CCN(CC1)c2ccc(cc2)[N+]([O-])=O)CC	112
+O=S(=O)(Nc1c(c(OC=2C(=C(N(C(C=2)=O)C)Nc3c(cc(I)cc3)F)C(=O)NCc4ccc(cc4)OC)ccc1)C)CC	80
+O=S(=O)(Nc1nc(OCCCCN2CCc3c(cccc3)C2)ccc1)CC	802
+O=S(=O)(CC)NC1CCCOc2c1cccc2	111
+O=S(=O)(CC)N1CC(CC1)Oc2cc(ccc2-c3ccncc3)F	112
+O=S(=O)(N1CC(Nc2nc(-c3cnc4ccc(cn34)C#N)ncc2)CCC1)CC	112
+O=S(=O)(NC1CCCc2c(cncc12)Br)CC	111
+O=S(=O)(N(c1cccc(c1)C=O)Cc2cccnc2)CC	39
+O=S(=O)(CC)N(Cc1cnccc1)c2cccc(c2)CO	98
+O=S(=O)(CC)NC1CCCCC1CO	44
+c1cc(ccc1C)S(=O)(=O)OCC2CCCCC2NS(=O)(=O)CC	36
+O=S(=O)(Nc1cc(N)c(cc1)F)CC	0
+c1cc(ccc1CNC(c2cnc3C(N(S(=O)(=O)c4ccc(cc4)C#N)Cc3c2)C(C)C)=O)S(=O)(=O)CC	92
+O=S(=O)(c1cc([N+]([O-])=O)c(C(=O)O)cc1F)CC	31
+O=S(=O)(c1ccc2C(C)(C)CNc2c1)CC	621
+O=S(=O)(CCC(OCC)=O)Cc1ccc(cc1)N	0
+O=S(=O)(Cc1cc(Nc2nc(c(cn2)F)-c3c(cc(c(F)c3)F)F)cc(c1)F)CCC	55
+O=S(=O)(CCC)Cc1cc(F)cc(N)c1	0
+c1cc(ccc1C)-c2c(NS(=O)(=O)CCC)ncnc2Cl	570
+O=S(=O)(N(c1c(F)c(N)c(F)cc1)C)CCC	10090
+O=S(=O)(CCC)NCCOc1ccc2CCNC(c2c1)C3(CCC3)c4nc(ccc4)Cl	1218
+O=S(=O)(CCC)Nc1c(c(c(cc1)F)N)F	4946
+O=S(=O)(CCC)Nc1c(F)c(c(F)cc1)C(c2c3c(ncc(Br)c3)n(C(c4c(cccc4Cl)Cl)=O)c2)=O	10091
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnccc2)F)CCC	660
+O=S(=O)(CCC)Nc1ccc(Cl)c(c1F)C(=O)O	6
+O=S(=O)(Nc1cc(c(cc1)F)C(=O)c2c[nH]c3ncc(cc23)Br)CCC	814
+n1cc(cnc1N2CCC(CC2)C3(Cc4cc(C5=CCN(S(=O)(=O)CCCC(=O)OC)CC5)ccc4O3)C)C6CC6	990
+O=S(=O)(NC)CCCCCO	21
+O=S(=O)(CCCCC)NC(=O)c1ccc(c(N(Cc2ccc(Cl)cc2Cl)C)c1)N	0
+c1cc(ccc1OC)N=Nc2c3c(ccc2O)cccc3NS(=O)(=O)CCCCCCCCCCCCCCCC	725
+c1cc(ccc1CCCCCCCS(=O)(=O)F)O	16
+O=S1(=O)N(c2cc(ccc2)-c3cc4c(CC(NS(=O)(=O)C(C)C)C4)cc3)CCC1	4947
+c12c(CC(C1)C3NC(=O)C(C(CC)CC)N(Cc4ccccc4N5S(=O)(=O)CCC5)C3=O)cccc2	4947
+c1cc(ccc1NS(=O)(=O)CCCCl)[N+](=O)[O-]	80
+O=S(=O)(C1CC1)c2ccc(c(c2)C(O)=O)O	4948
+O=S(=O)(N1CCC(CC1)c2n[nH]c3c(C(=O)N)cc(cc23)-c4cccc(CO)c4)CCCN5CCCC5	11
+CC(C)(CC=O)COS(=O)(=O)CCCNC(C)=O	465
+C1CC(CCN1S(=O)(=O)CCCO)Nc2nc(N)c(cn2)C(=O)c3c(ccc(F)c3F)OC	59
+O=S(=O)(C)CCCOc1ncc(c(c1)C)-c2ccc(F)c(C(O)=O)c2	89
+O=S(=O)(CCCOc1ccc(N)c(OC)c1)C	0
+O=S(=O)(c1ccccc1)CCCc2c(c(nn2CCCC)C#N)-c3c(cccc3)N	800
+O=S(=O)(CCCc1ccc(cc1)O)c2ccc(s2)S(=O)(=O)N	5
+O=S(=O)(CCCl)CCC(NCCS(C=C)=O)=O	10092
+O=S(=O)(NCCOc1ccnc(Oc2c(cc(Cl)c(c2)Cl)I)c1)C=C	4949
+O=S1(=O)N=C2C(c3cc4ccc(cc4cc3)OC)=CC=CN2CC1	1776
+O=S(=O)(NCCOc1ccc2ccccc2c1)C=C	4949
+c1cc(ccc1C=2C3=NS(=O)(=O)CCN3C=CC=2)Oc4cc(c(F)cc4)C	1776
+c1cc(ccc1C=2C3=NS(=O)(=O)CCN3C=CC=2)Oc4cc(c(cc4)C)C	1776
+c1cc(ccc1C=2C3=NS(=O)(=O)CCN3C=CC=2)Oc4c(C)cccc4	1776
+c1cc(ccc1C=2C3=NS(=O)(=O)CCN3C=CC=2)Oc4c(cc(F)cc4)C	1776
+O=S(=O)(CC)CCCn1c(cc2cc(Cl)ccc12)CO	194
+c1cc(ccc1-c2onc3-c4c(CCc23)cc(C(C(=O)NCCS(=O)(=O)C)O)cc4)CCC	9
+O=S(=O)(CCNC(c1ccc(cc1)C=NNc2c3cnn(-c4ccccn4)c3ncn2)=O)C	14
+O=S1(=O)c2c(C(c3ccccc3)NC(CC)(C1)CCCC)cc(c(CCCNCCS(=O)(=O)O)c2)OC	285
+c1ccccc1COC(=O)NCCS(=O)(=O)O	101
+c1c(OC)cc(cc1-c2c(-c3nc(Nc4cnc(OC5CN(CCS(=O)(=O)C)CC5)cc4)ncc3)sc(NCC)n2)OC	949
+c1ccccc1CCS(=O)(=O)Nc2ncnc(OCCOc3ncccn3)c2-c4ccc(cc4)C	482
+O=S(=O)(CCn1ccc2ncnc(c12)Nc3ccc(c(Cl)c3)Oc4cccc5sncc45)C	1190
+O=S(=O)(Cc1ccccc1C2=NNC(O2)=S)N	1770
+c1cc(ccc1S(=O)(=O)C(CCCCOC=C)c2cc(ccc2F)F)Cl	10093
+C1CN(CCN1c2cc(cc(CS(=O)(=O)c3ccc(cc3)F)c2N)Cl)C	0
+O=S(=O)(c1ccccc1)Cc2ccc(Br)c(OC)c2C(=O)O	1
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3cc(CS(=O)(=O)c4cccc5ccccc45)c(N)cc3	0
+O=S(=O)(Cc1cc(OC2CCN(C2)C(OCc3ccccc3)=O)ccc1[N+]([O-])=O)c4c5ccccc5ccc4	66
+O=S(=O)(NCCOCCO)Cc1c(cccc1)N	0
+O=S(=O)(c1c2ccccc2ccc1)Cc3cc(OC4CCN(C(OCc5ccccc5)=O)C4)ccc3N	0
+O=S(=O)(Cc1cccc(c1)N)C	0
+O=S(=O)(Cc1c(ccc(OC2CNCC2)c1)[N+]([O-])=O)c3c4ccccc4ccc3	25
+O=S(=O)(Cc1cc(OC2CCN(C2)C(OCc3ccccc3)=O)ccc1[N+]([O-])=O)c4c5ccccc5ccc4	1600
+c1ccccc1C(c2ccccc2)Nc3c(C#CCCNS(=O)(=O)Cc4ccc(c(c4)Cl)Cl)cc(cc3)Cl	121
+O=S(=O)(Cc1ccc2N(Cc3c(C(O)=O)[nH]c4C(=O)N(C=C(c34)c2c1)C)c5ccc(cc5)Cl)C	6
+O=S(=O)(c1ccc(NC(C)=O)cc1CS(=O)(=O)CC)Cl	240
+O=S(=O)(c1cccc2c1cccc2)Cc3cccc(c3N)OCCCCl	0
+O=S(=O)(N)Cc1cc(Nc2nc(-c3ccccc3OC)ncn2)ccc1	1582
+c1cc(ccc1-c2sc(cn2)CN(S(=O)(=O)Cc3ccccc3)CC(C)C)NS(=O)(=O)C	1241
+O=S(=O)(NS(=O)(=O)C1CCNCC1)Cc2ccccc2	2659
+c1(nc(nc(OC)c1)NC(=O)NS(=O)(=O)Cc2ccccc2-c3nnc(SC)o3)OC	1777
+O=S(=O)(C(C)C)NCC(C)c1ccc2cc(ccc2c1)OC	111
+CC(C)S(=O)(=O)NC1C(CCC1)c2ccccc2	111
+CC(C)S(=O)(=O)Nc1c(C(=O)OCC)cnn1-c2ccc(cc2)Br	802
+O=S(=O)(NCC(C)Oc1ccc(cc1)Br)C(C)C	111
+c1cc(ccc1Sc2ccc(C)cc2Nc3ccnc4c3ccc(CCC)n4)OS(=O)(=O)C(C)C	444
+c1cc(ccc1Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34)OS(=O)(=O)C(C)C	444
+c12c(cccc1)CC(C2)NS(=O)(=O)C(C)C	111
+C1CC(CCC1NC(OCc2ccccc2)=O)CNS(=O)(=O)C(C)C	111
+C1CC1(CC=C)S(=O)(=O)Nc2c(c(F)c(cc2)F)Nc3c(cc(I)cc3)F	80
+O=S(=O)(CC#N)NCCCc1ccccc1	111
+O=S1(=O)c2c(cc(C(=O)c3cnn(CC)c3OS(=O)(=O)CCC)c(C)c2C(C(C)(C)C1)=O)C	10094
+O=S(=O)(CCC)Nc1c(c(c(F)cc1)C(c2c[nH]c3ncc(cc23)Br)=O)F	80
+O=S(=O)(CCC)Nc1ccc(F)cc1F	80
+C1CN(CCN1c2nsc3c2cccc3)CCc4ccc(cc4)NS(=O)(=O)CCC	80
+c1ccccc1CC2C(NC(=O)OCC)COc3ccc(N4CC(C4)NS(=O)(=O)CCC)cc23	111
+n1cc(cnc1N2CCC(CC2)C3Cc4cc(C=5CCN(S(=O)(=O)CCC)CC=5)cc(F)c4O3)CCC	990
+O=S(=O)(CCCC)NC(C(=O)NCCc1ccc(c(OC)c1)OCc2cccc3ccccc23)C(C)CC	10095
+c1cc(ccc1-n2nc(cc2CC(C)C)CNS(=O)(=O)Cc3ccc4c(cccc4)c3)F	111
+Clc1cccc(Cl)c1Nc2c(csc2Cl)CC(O)=O	10096
+O=S(=O)(c1cc(C)c(CCOC)s1)Cl	4950
+c1c(c2c(O)c(Cl)cc(C=O)c2cc1)CC	662
+O=S(=O)(c1c(Cc2cc(OC)c(c(c2)OC)OC)sc3ccccc13)Cl	10097
+c1cc(ccc1Cl)-c2nn(C)c(OC(F)F)c2Cl	1188
+c1cc(ccc1F)C(C(C(=O)OC)Cl)=O	3334
+C1CC(CCO1)c2ccc(c(Cl)c2)O	662
+O=S(=O)(c1c(c(cc(c1)F)N2CCCCC2=O)OC)Cl	10098
+c1(nn2c(c1Cl)CCCC2)N	1188
+O=S(=O)(c1sc(c(C)c1)-c2ccc(OC)nc2)Cl	4950
+O=S(=O)(Nc1c(C#N)c(SC)ccc1)N	1630
+O=S(=O)(OCCCCCCCn1c2nc(nc(N)c2nc1Cc3cc4c(cc3I)OCO4)F)N	2419
+c1cc(ccc1)OS(=O)(=O)N	4259
+O=S(=O)(c1sccc1Br)n2cccc2	10099
+c1(ccc(OC)c(c1Cl)Cl)S	3066
+O=S(=O)(c1c(cc(cc1)F)C)Nc2cncc(c2)-c3ccc(c(Cl)c3)C#N	322
+O=S(=O)(c1cc(C)c(cc1[N+](=O)[O-])F)Nc2cccc3cccnc23	322
+O=S(=O)(Nc1cc([N+]([O-])=O)ccc1OC)c2ccc(Br)cc2Cl	69
+O=S(=O)(c1ccc(cc1Cl)Br)Nc2cncc(Br)c2	322
+O=S(=O)(Nc1ccccc1NS(=O)(=O)c2sc3ccccc3c2)c4ccc(cc4OC)[N+]([O-])=O	69
+O=S(=O)(NO)c1cc2c(CCN2C(=O)C)cc1Br	10100
+O=S(=O)(c1c(OC)ccc(Br)c1)Nc2cc(C(OC)=O)cnc2	322
+O=S(=O)(c1c(ccc(c1)Cl)OC)Oc2cc(C)cc(c2)O	681
+c1cc(ccc1)COc2cccc3n(S(=O)(=O)c4c(F)cccc4)ccc23	367
+O=S(=O)(NC(C(OC)=O)Cc1c[nH]c2c1cccc2)c3c(ccc(c3)Br)O	592
+O=S(=O)(c1cc(cnc1)Br)Nc2c(cc(F)cc2)F	4664
+c1cc(ccc1OS(=O)(=O)c2c(cc(c(Cl)c2)Cl)Cl)C=C(C#N)C#N	681
+O=S(=O)(N(c1sc(cn1)Cl)Cc2c(OC)cc(cc2)OC)c3c(F)cc(c(Cl)c3)F	4951
+O=S(=O)(Cl)c1c2c(c(Br)c(c1)CCOC(C)=O)cccc2[N+](=O)[O-]	31
+O=S(=O)(c1ccc(c(c1)C#N)Br)N(c2ncns2)Cc3ccc(cc3OC)OC	4951
+O=S(=O)(Cl)c1sc(C)c(c1)C(Nc2cc(F)c(cc2)F)=O	1899
+OS(c1ccc(O)c(c1)C(=O)O)=O	10101
+O=S(=O)(c1ccc(c(c1)Cl)Cl)n2c3ncccc3c(CC(OC)=O)c2C	276
+O=S(=O)(c1cc(c(cc1)F)Cl)N(c2ncc(cc2)F)Cc3ccc(cc3OC)OC	2023
+O=S(=O)(c1cc([N+](=O)[O-])c(cc1)NC(=O)OCC)NCc2ccccc2	71
+c1(S)cc(C)c(OCC(=O)OCC)cc1C	3066
+O=S(=O)(c1cc2c(NC(C2)=O)cc1)Nc3cnccc3	322
+O=S(=O)(c1ccc2c(CC(N2)=O)c1)N3c4c(CCC3)cccc4	416
+O=S(=O)(c1cc2c(cc1)cc(Br)cc2)c3ccc(cc3)OC	2290
+Fc1c(F)c(c(F)c(F)c1F)OS(=O)(=O)c2ccc3c(Br)cn(C)c3c2	681
+O=S(=O)(c1sc(C)cc1)Nc2nn(Cc3ccc(OC)c(c3)F)c4cccc(OC)c24	2878
+c1ccccc1NS(=O)(=O)c2cc(C#N)c(cc2)F	69
+O=S(=O)(Nc1ncc(cc1)F)c2ccc(F)c(C#N)c2	2165
+O=S(=O)(Nc1cc([N+](=O)[O-])ccc1)c2cc(F)c(cc2)Br	69
+c1cc(ccc1Cl)S(=O)(=O)NCC(O)CN2c3ccccc3CCc4c2cccc4	71
+O=S(=O)(NC(c1cnccc1)Cc2ccc(cc2)CC(OC)=O)c3ccc(cc3)Cl	71
+c1cc(ccc1C(CCCC(O)=O)c2cccnc2)CCNS(=O)(=O)c3ccc(cc3)Cl	71
+c1cc(ccc1S(=O)(=O)NCCc2cc(cc(CCC(OCC)=O)c2)Cc3ccc(cc3)F)Cl	71
+c1cc(ccc1)CC(OS(=O)(=O)c2ccc(cc2)Cl)C(=O)OC	10102
+c1cc(ccc1Cl)S(=O)(=O)N2CCCC(Nc3nccc(n3)-c4c(-c5cccc(C#N)c5)nc6sccn46)C2	92
+c1cc(ccc1S(=O)(=O)Nc2c(OC)ccc(c2)Br)I	69
+c1cc(ccc1C(Nc2cccnc2)=O)CNS(=O)(=O)c3ccc(cc3)I	71
+O=S(=O)(c1ccc(cc1)NC(=O)Nc2cc(C#N)ccc2)NCc3c(c(ccc3F)F)F	71
+O=S(=O)(c1ccc2c(c3cc(ccc3s2)S(=O)(=O)NC)c1)Nc4ccccc4S(=O)(=O)N	69
+O=S(=O)(n1c(-c2ccccc2)cc(C=O)c1)c3cc4c(ncs4)cc3	917
+O=S(=O)(Nc1ccc(c2c(c[nH]c12)C#N)C)c3cccc(c3)C#N	322
+O=S(=O)(Nc1c(cc(cc1)Cl)C(=O)c2ccncc2)c3cc(C#N)ccc3	69
+c1ccccc1COC2=COC(=CC2=O)CNS(=O)(=O)c3cc(C)ccc3	10103
+O=S(=O)(c1cccc(F)c1)n2c3c(c(C=O)c2)cnc(Br)c3	367
+O=S(=O)(Nc1ccc(cc1)C2C(C)(C)Cc3cc(ccc3N2)C(O)=O)c4cccc(F)c4	69
+O=S(=O)(NC(c1ccccc1-c2ccc(cc2F)F)C)c3cc(ccc3)OC	71
+O=S(=O)(c1c2c(cccc2)ccc1)n3ncc4ccc(cc34)[N+]([O-])=O	3123
+O=S(=O)(c1cccc2c1cccc2)n3ccc4c(cccc34)[N+](=O)[O-]	367
+O=S(=O)(Oc1cc(C)cc(O)c1)c2cccc3cnccc23	681
+O=S(=O)(Nc1cc(ccc1)-c2nn3c(cc2)nc(NC(C)=O)c3)c4cccc5c4ccnc5	69
+O=S(=O)(c1cccc2c1nsn2)Oc3cc(C)cc(O)c3	3854
+O=S(=O)(c1c(cccc1)Cl)N2c3cc(cnc3NCC2)I	4770
+O=S(=O)(c1c(Cl)cccc1)Nc2cccc(c2)OCCc3ccc(cc3)C#N	69
+O=S(=O)(c1ccccc1[N+]([O-])=O)Oc2cc(C)cc(O)c2	681
+O=S(=O)(Nc1c2ncccc2ccc1)c3c([N+](=O)[O-])cccc3	322
+O=S(=O)(c1ccccc1[N+]([O-])=O)N2CCc3ccccc23	416
+O=S(=O)(c1c(cccc1)[N+](=O)[O-])Nc2ccccc2CO	69
+c1cc(ccc1NS(=O)(=O)c2c(cccc2)[N+](=O)[O-])OC	69
+O=S(=O)(Nc1cccc2nccnc12)c3c([N+](=O)[O-])cccc3	322
+O=S(=O)(N(Cc1cc(Cl)cc(CN(S(=O)(=O)c2cnccc2)CC(C)C)c1)CC(C)C)c3c(c(Cl)cc(Cl)c3)O	1027
+c1ccccc1-c2n(S(=O)(=O)c3cnccc3)cc(C(=O)OC)c2F	1690
+O=S(=O)(n1c(-c2ccccc2)cc(c1)C=O)c3c(nccc3)Cl	1690
+O=S(=O)(Nc1c(cccc1)S(=O)(=O)Nc2ccc(cc2)OC)c3sccc3	1063
+O=S(=O)(Nc1ccc(F)c(c1)[N+](=O)[O-])c2cccs2	1063
+O=S(=O)(n1c2cccc(c2cc1)Br)c3sccc3	10104
+O=S(=O)(c1cccs1)Nc2cccc(-n3c4ccc(C(=O)NCc5cnccc5)cc4nc3)c2	1063
+O=S(=O)(Nc1c2ccccc2c(cc1)O)c3sccc3	1063
+c1ccccc1COC(=O)n2c3cc(c(Cl)cc3nc2-c4cc(c(OC)cc4)NS(=O)(=O)c5cccs5)Cl	1063
+c1ccccc1COCC2CN(CCN2)S(=O)(=O)c3sccc3	1147
+O=S(=O)(c1csc(c1C)C(=O)Nc2ccccc2C(O)=O)Nc3ccc(cc3)I	10105
+O=S(=O)(c1ncccc1)Nc2cc(OCCOC)cc3c2[nH]c(C(=O)OCC)c3	10106
+O=S(=O)(c1ncccc1)Nc2ccc(cc2)CO	10107
+c1cc(ccc1)CSc2cc(C#N)ccc2NS(=O)(=O)c3oc4c(c3)cccc4	2686
+O=S(=O)(c1sc(cc1)Cl)Nc2c3c(cccc3F)n(Cc4cc(C#N)ccc4)n2	2878
+O=S(=O)(F)c1cc(ccc1)N=Nc2cc(C=NO)c(O)c(c2)Cl	135
+C(#N)CCN(CCC#N)c1ccc(cc1)N=Nc2cc(S(=O)(=O)F)c(Cl)cc2	10108
+O=S(=O)(N(C)C)n1ccc(C(OC)=O)n1	4952
+CN(C)S(=O)(=O)n1cc(c(-c2ccccn2)n1)I	4952
+CN(C)S(=O)(=O)n1cnc2c1CCCC2	2752
+O=S(=O)(c1ccccc1O)N(C)C	5
+O=S(=O)(N(C)c1ccc(c2cc([nH]c12)C3=NCC(CCO)S3)C)c4cccs4	21
+O=S(=O)(N(C)c1ccc(c2c1[nH]c(C3=NCC(CC(=O)O)S3)c2)C)c4cccs4	3
+O=S(=O)(N(C)c1cccc2c1[nH]c(c2)C3=NCC(CC(=O)O)S3)c4cccs4	3
+O=S(=O)(c1ccccc1OC)N(c2cccc3c2[nH]c(c3)C(=S)N)C	742
+O=S(=O)(N(C)c1cc(cc(N(C)CCC)n1)C(=O)O)C	1
+O=S(=O)(c1ccc(cc1)Cl)N(C2C(CCCC2)C)Cc3ccc(cc3)C(O)=O	1
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)S(=O)(=O)N(C)C4C(CCC4)C(NO)=O	293
+O=S(=O)(c1cc(cc(CC)c1)Cl)N(c2cc3c4ccccc4n(CC)c3cc2)CC(=O)O	1818
+c1cc(ccc1S(=O)(=O)N(CC)CC)N	0
+c1ccc2c(c3c(cccc3)n2CCCN(CC)S(=O)(=O)c4ccccc4[N+](=O)[O-])c1	935
+O=S(=O)(c1ccccc1[N+](=O)[O-])N(CCC)CCCn2c3c(cccc3)c4c5CCC(=O)c5ccc24	935
+O=S(=O)(N(CC=O)c1c(cc2c(C(NC)=O)n(-c3ccc(C)cn3)nc2c1)C4CC4)C	24
+O=S(=O)(c1c(Cc2c(C)cc(C)cc2)sc3c1cccn3)Nc4onc(C)c4Cl	4953
+c1cc(ccc1)-c2c(cc(cc2)C(OCC)=O)CNCC	1385
+O=S(=O)(c1ccc(cc1)Cl)N(Cc2csc(c2Cl)C(O)=O)C	1
+O=S(=O)(N(Cc1cc(Cl)c(cc1)C(F)(F)P(O)(O)=O)Cc2ccccc2)c3c(C(=O)N)cccc3	228
+c1cc(ccc1CN(S(=O)(=O)c2ccc(cc2)O)CC(C)C)Cl	5
+O=S(=O)(c1c(O)c(Cl)cc(c1)Cl)N(Cc2ccc(cc2)CNCc3ccc(cc3)F)Cc4ccc(cc4)F	42
+c1cc(ccc1)OC(=O)Nc2c(ccc(c2F)N(C)S(=O)(=O)CCC)F	90
+c1(cc(cc([N+]([O-])=O)c1N)C)NCCO	2252
+O=S(=O)(N(C)c1cccc2cc(C(N)=S)[nH]c12)c3cccs3	742
+O=S(=O)(N(c1c2[nH]c(cc2ccc1)C=3SC(CN=3)CC(=O)Nc4[nH]nnn4)C)c5ccccc5OC	2004
+O=S(=O)(N(c1c2[nH]c(cc2ccc1)C=3SC(CC(=O)O)CN=3)C)c4ccccc4OC	3
+O=S(=O)(c1cccs1)N(c2c3[nH]c(C(NCC(C)(SCc4ccccc4)CCO)=O)cc3ccc2)C	81
+O=S(=O)(N(c1c2c(nccc2)c(O)c(n1)C(=O)NCc3ccc(F)cc3SC)C)c4ncn(C)c4	658
+O=S(=O)(N(c1nc(cc(c1)C(=O)O)Cl)C)C	1
+O=S(=O)(CCC)N(c1c(F)c(c(cc1)F)C(O)=O)C	1
+O=S(=O)(CC)N(Cc1cccnc1)c2cccc(c2)C=Cc3ccccc3	1521
+O=S(=O)(Nc1ccncn1)c2ccc(c(F)c2F)OC3CCCC3c4ccnn4C	10109
+O=S(=O)(c1c(sc2ncccc12)Cc3cc4c(OCO4)cc3C)Nc5c(c(C)no5)Cl	4953
+c1(OC)nc(nc(OC)n1)Oc2cccc(c2C(NS(=O)(=O)C)=O)Cl	10110
+O=S(=O)(NC(=O)c1cc([N+]([O-])=O)ccc1)C	2909
+O=S(=O)(C)NC(=O)c1nc(ccc1)Cc2c(n(S(=O)(=O)c3ccccc3)c4cc(OC)ccc24)-c5ccccc5	3007
+c1cc(ccc1-n2ncc(c2C)C(=O)NC(c3cc(NS(=O)(=O)C)cnc3)CCC)Cl	10111
+O=S(=O)(C)NC(c1ccc2c(c1)C(C)(C)CC(c3cc(ccc3)C(=O)Nc4ccccc4)N2)=O	258
+O=S(=O)(Nc1c(Oc2ccccc2OC)c(Cl)nc(-c3ncccn3)n1)CC	570
+CC(C)(CS(=O)(=O)N)CO	59
+O=S(=O)(Cc1cccc(Nc2ncnc(n2)-c3c(ccc(c3)C=O)OC)c1)N	10112
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCN(C(CC(C)C)=O)C3)C(N)=N1	4954
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCCN3C(NCC)=O)C(N)=N1	4954
+O=S(=O)(N)OCC1C(O)CC(n2ccc3c2ncnc3NC4c5ccccc5CC4)C1	59
+c1cc(ccc1C(=O)c2ccc(c(S(=O)(=O)N)c2)C)OC	222
+O=S(=O)(N)c1ccc(Cl)cc1CCN	524
+O=S(=O)(c1c(c(SCc2ccccc2)cc(C(=O)O)c1)Cl)N	1128
+O=S(=O)(c1c(cccc1I)O)N	5
+O=S(=O)(c1c(cccc1)S(=O)(=O)N)NC(c2ccc(cc2)I)=O	258
+O=S(=O)(c1ccc(cc1CC)C(N)=NO)N	253
+c1cc(ccc1N2C(C(OCC2)C(O)C3=Nc4c(S(=O)(=O)N3)cc(C#N)cc4)=O)C	10113
+O=S(=O)(N)c1cc(c(cc1)Oc2cc(c(SC)cc2)C)C(=O)NCC(C)O	14
+O=S(=O)(c1c(ccc(c1)C)NS(=O)(=O)CCc2ccc(cc2)Br)N	80
+O=S(=O)(NC(Nc1nc(CC)c(Br)s1)=O)c2cc(sc2)C	10114
+O=S(=O)(c1ccc(Oc2c(cc(F)cc2)F)c([N+](=O)[O-])c1)N	46
+O=S(=O)(NC(Nc1cc(cc(NCCF)n1)SC)=O)c2sc(c(c2)C)CCOC	4746
+O=S(=O)(N)c1cc(C(=O)O)c(Oc2ccc(c(C)c2)SC)cc1	1
+c1cc(ccc1CN(C(CC(=O)C(NS(=O)(=O)c2cc(c(OC)cc2)C(NCC3CCCN3CC)=O)=O)=O)OC)F	2623
+O=S(=O)(c1cc(c(OCc2ccc(cc2)OC)cc1)C(O)=O)N	1
+O=S(=O)(N)c1cc(CNCC(C)O)c(Oc2cc(c(SC)cc2)C)cc1	162
+O=S(=O)(N)c1c(c(C)cc(c1)N)OC	0
+c1cnccc1C=Cc2cc(ccc2)Nc3cc(ccc3)S(=O)(=O)N	230
+c1cc(ccc1)S(=O)(=O)n2cc(cc2)C(c3ccc(c(S(=O)(=O)N)c3)Cl)=O	787
+O=S(=O)(N)c1c(ccc(c1)C#N)NC(C(O)C2OCCN(c3ccc(cc3)C)C2=O)=O	33
+c1(nc(nc(OC)c1)NC(NS(=O)(=O)c2c(OC)ccc(CC#N)c2)=O)OC	1777
+O=S(=O)(N)c1ccc2N(CCc2c1)CC3CCCCC3	15
+O=S(=O)(N)c1cc2c(cc1O)OCCC2CNC(N3CC(=C(CC)C3=O)C)=O	5
+O=S(=O)(N)c1c(cc(cc1)C#N)CC	180
+O=S(=O)(N)c1cc(c(cc1)OCc2ccc(cc2)OC)C(OC)=O	657
+O=S(=O)(N)c1cc(c(Oc2cc(c(SC)cc2)C)cc1)C(OC)=O	46
+O=S(=O)(N)c1cc2c(N(Cc3ccc(Cl)c(Cl)c3)CC2)cc1	162
+O=S(=O)(N)c1ccc2N(C(c3ccc(Cl)c(Cl)c3)=O)CCc2c1	448
+O=S(=O)(c1c2c(ccc1)c3nc(O)c(O)nc3cc2)N	10115
+O=S(=O)(c1c(cccc1)S(C)=O)N	2571
+c1cc(ccc1CCNC(NS(=O)(=O)c2ncc(cc2)C)=O)-n3cc(nc3CC)-c4ccccc4	1777
+O=S(=O)(Nc1nc(SCc2c(c(F)ccc2)F)nc(OC)c1)c3c(C)nc(s3)N	570
+O=S(=O)(N1C(CC)CN(C(Cc2ccc3ccccc3c2)C(=O)OC)CC1)c4ccccc4[N+](=O)[O-]	15
+O=S(=O)(c1ccc(cc1)C)N2C(CC(=O)NCCc3ccc(cc3)CO)C(NC=C2)=O	9
+O=S(=O)(N1C(C(OCC)=O)CN(CC1)Cc2ccc(cc2)Br)c3ccc(cc3)OCC#CC	131
+C(Cc1cc2c(cccc2)cc1)(C(OC)=O)N3CC(CC)NCC3	1385
+c1cc(ccc1)S(=O)(=O)N2C(CN(CC2)C(OCc3ccccc3)=O)CCC=O	24
+c1cc(ccc1C(=O)OC)C(C)n2cc(CC3N(C=CNC3=O)S(=O)(=O)c4ccc(Cl)c(Cl)c4)nn2	642
+c1cc(ccc1)-c2cc(ccc2)C(C(=O)NC3C(CN(S(=O)(=O)c4ccccn4)C(CC3)C)O)CC(C)C	9
+c1cc(ccc1N)S(=O)(=O)N2CCC(CC2)NC(=O)C=C	0
+C1CN(CCC1c2ccc(cc2)CC(N)C(=O)OC)S(=O)(=O)C	191
+O=S(=O)(Nc1cc(OC)nc(n1)SCc2c(c(F)ccc2)F)N3CCC4(OCCO4)CC3	570
+O=S(=O)(N1CCCc2ccccc12)c3cc(N4C(=O)Nc5c(c(ccc5)C(=O)O)C4=O)c(Cl)cc3	1
+C1CN(CCN1S(=O)(=O)c2ccc(c(N)c2)OC)C	0
+O=S(=O)(N1CCN(CC1)c2ccc(cc2)N)CC	0
+CC1(C)N(N)CCN(C1)S(=O)(=O)C	1651
+O=S(=O)(c1cc(Cl)ccc1OC)N2c3cc(ccc3OCC2)C(O)=O	1
+c1(C)sc(nc1-c2ccc3NCCc3c2)NC(=O)Cc4ccc5OCOc5c4	4955
+O=S(=O)(c1cc(ccc1)C)N2CCCc3ncc(cc23)NC(C(C)c4ccccc4)=O	469
+c1cc(ccc1C(Nc2ccc3CCCN(c3c2)S(=O)(=O)c4c(OC)ccc(c4)Cl)=O)CC(=O)OC	67
+c1(c([nH]c2c1ccc(c2)F)-c3cnccc3)C#N	4563
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(Cl)c(-n4cccc4C#N)ccc3Cl	2843
+O=S1(=O)NC(Nc2c1cc(cc2)NS(=O)(=O)C)=O	10116
+c1cc(ccc1OC)CSc2scc(C=3CC(N(C(=O)OCC=C)CC=3)COC(N)=O)n2	10117
+c1ccccc1COC(=O)c2cn(C(N)=O)c3ccccc23	10118
+c1c(cc(cc1-n2cccc2C#N)C(=O)OC)COC(C)=O	2843
+c1(nc(nc(OC)n1)NC(NS(=O)(=O)c2cscc2C)=O)OC	1722
+O=S(=O)(NC(=O)c1cccc(N)c1)C	0
+c1(C)cc(cc(C)c1Cn2c3c(cc2C(NS(=O)(=O)c4cc(N)ccc4)=O)ccc(C#N)c3)C	0
+O=S(=O)(c1nc(ccc1)-c2ccc3c(c2)C(=NNc4nc5c(s4)cccc5)CCC3)NC(C)=O	1713
+O(C)c1nc(nc(OC)c1[N+]([O-])=O)NCCS(=O)(=O)NC(C)C	96
+O=S(=O)(NC(C1(CC1)c2ccc(cc2)-c3ccc(cc3)-c4onc(C)c4Nc5cccc(n5)-c6ccccc6)=O)C	3215
+C(C)C(CNc1ccc(C)cc1C)N	10119
+CC(C)Oc1ccc(cc1S(=O)(=O)NC(Cc2c[nH]c3c2cccc3)CO)Br	88
+O=S(=O)(c1ccc(cc1)OC)N2C(c3c(cccc3)-c4ccc(cc24)Cl)C	4956
+O=S(=O)(NC(=O)c1ccc(-c2ccccc2)nc1N3CC(C)CC3(C)C)c4c(nccc4)O	140
+O=S(=O)(c1cccc(OC)c1)N2c3cc(F)ccc3-c4c(cccc4)C2C	4956
+c1cc(ccc1CC(=O)O)CC(NS(=O)(=O)c2ccc(cc2)Cl)c3cnccc3	4
+c1cc(ccc1C)S(=O)(=O)OCCCCCS(=O)(=O)NC	36
+O=S(=O)(NC)CCCCN=[N+]=[N-]	558
+O=S(=O)(NC)CCCCN	18
+O=S(=O)(NC)Cc1ccc(cc1)Nc2nc3ccc(cc3c(Nc4ccccc4)n2)OC	744
+O=S(=O)(NC)Cc1ccc(cc1)Oc2cc(nc(C)n2)CNc3ncc(cn3)Cl	96
+O=S1(=O)N(C(c2ccc3c(c2N1)nccc3)c4ccc(cc4C)F)C	10120
+c1cc(ccc1[N+]([O-])=O)Oc2cccc(S(=O)(=O)NC)c2	2026
+O=S(=O)(Cl)c1ccc2c(c3cc(ccc3s2)S(=O)(=O)NC)c1	243
+O=S(=O)(NC)c1cc(Oc2ccccc2)ccc1	304
+CC(C)S(=O)(=O)NC1C(O)(c2ccc(cc2)F)CCC1	1035
+CC(C)S(=O)(=O)NC1C(CCC1)(c2ccc(cc2)Oc3ccccc3)O	1035
+O=S(=O)(Nc1cc2c(cc1)nc(cc2)NCc3c(OC)cccc3)NC4CC4	1630
+C1CN(CCC1NS(=O)(=O)c2ccc(cc2)N)C(=O)OCc3ccccc3	0
+O=S(=O)(NC1Cc2c(cc(cc2)-c3cc(ccc3)N)C1)C(C)C	0
+O=S(=O)(C(C)C)NC1Cc2c(cc(-c3c(nccc3)F)cc2)C1	1617
+O=S(=O)(NC1Cc2ccc(-c3cc(C#N)ccc3)cc2C1)C(C)C	134
+O=S(=O)(NC1Cc2c(C1)cc(cc2)-c3cc([N+]([O-])=O)ccc3)C(C)C	134
+O=S(=O)(NC1Cc2ccc(-c3cccc(CN)c3)cc2C1)C(C)C	107
+O=S(=O)(c1ccccc1Cl)NCC2=CC(=O)C(O)=C(C(O)=O)N2C	4957
+c1ccccc1COC2=C(C=O)OC(=CC2=O)CNS(=O)(=O)c3cc(C)ccc3	3124
+c1cc(ccc1)S(=O)(=O)C(C2=CC(C(OCc3ccccc3)=C(C(=O)O)N2C)=O)NS(=O)(=O)c4cc(C)ccc4	10121
+O=S(=O)(c1cccc(OC)c1)NCCCO	21
+O=S(=O)(NCCCC(N)=S)C	199
+O=S(=O)(NCCCCCC(Nc1ccccc1)=O)C	33
+O=S(=O)(c1cccc(N)c1)NCCN(C)C	0
+O=S(=O)(NCCOC)Nc1c(Oc2c(ccc(OC)c2)Cl)c(Cl)ncn1	570
+O=S(=O)(Nc1c(c(OCCO)ncn1)Oc2c(ccc(OC)c2)Cl)NCCOC	145
+O=S(=O)(c1cc(C(=NO)N)ccc1O)NCCc2c(OCC(=O)O)cc(cc2)-c3ccccc3S(=O)(=O)C	253
+O=S(=O)(c1cc(ccc1OC)C#N)NCCc2c(O)cc(-c3c(cccc3)S(=O)(=O)C)cc2	241
+O=S(=O)(NCCc1c(OCC(=O)O)cc(cc1)-c2ccccc2S(=O)(=O)C)c3cc(C#N)ccc3O	3
+O=S(=O)(NCCc1c(cc(cc1)-c2ccccc2S(=O)(=O)C)OCC(=O)OCC)c3cc(C#N)ccc3O	5
+CC(C)c1ccc(c(c1)OCC(=O)OCC)CCNS(=O)(=O)c2c(O)ccc(C#N)c2	5
+O=S(=O)(NCCc1ccc(C(C)C)cc1OCC(=O)O)c2c(OC)ccc(C#N)c2	3
+c1cc(ccc1OC)CN(Cc2c3ccccc3ccc2)S(=O)(=O)c4cc(c(s4)Cl)Cl	692
+O=S(=O)(NCc1cnccc1)c2cc(C=CC(O)=O)ccc2	127
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)NO	2291
+c1cc(ccc1)CN(Cc2sc(cc2)-c3cccc(S(=O)(=O)C)c3)S(=O)(=O)c4cc(ccc4)Cl	692
+O=S(=O)(c1c(c(Cl)ccc1)Cl)Nc2c(nc(Br)cn2)OCc3cnccc3	1335
+c1cc(ccc1C)S(=O)(=O)Nc2ccc(cc2C)Oc3cc(C(=O)O)c(cc3)NS(=O)(=O)c4ccc(cc4)C	1
+O=S(=O)(Nc1ccc(Cl)cc1C(O)=O)c2cccc3nsnc23	1
+O=S(=O)(c1cc(OC)c(cc1)OC)Nc2c(C(c3c(Cl)cccc3)O)cc(Cl)cc2	488
+O=S(=O)(C)Nc1c(Oc2c(cccc2)Cl)cccc1CC(=O)O	3
+O=S(=O)(CCC)Nc1c(Cl)c(c(cc1)Cl)N	4946
+O=S(=O)(c1ccccc1)Nc2cc(-c3c(CC(OC)=O)c4c(cccc4)[nH]3)ccc2Cl	2155
+c1cc(ccc1-c2c(NS(=O)(=O)c3ccccc3Cl)nccn2)CO	696
+O=S(=O)(Nc1ccc(c(c1F)C(c2c[nH]c3ncc(cc23)-c4ccc(C(NCC)=O)nc4)O)F)CCC	1235
+O=S(=O)(c1c(F)ccc(c1)F)Nc2cccc(c2F)CO	98
+n1cccnc1-c2nc(c(c(NS(=O)(=O)CC)n2)Oc3ccccc3OC)OCCO	145
+O=S(=O)(Nc1cccc(OC=2C(=C(Nc3c(cc(I)cc3)F)N(C(=O)C=2)C)C(N)=O)c1C)CC	10122
+n1cc(cnc1OCCOc2ncnc(NS(=O)(=O)NCCOC)c2Oc3cc(OC)ccc3Cl)Br	482
+C(C)N(CC)CC=Cc1cc(ccc1S(=O)(=O)Nc2ccc3c(c2C(O)=O)cc4CCCn34)F	1
+CC(C)NCCOc1c(NS(=O)(=O)C)cc(cc1)N	0
+O=S(=O)(C1CC1)Nc2c(ccc(c2)C(=O)O)F	1
+O=S(=O)(Nc1c2c(ccc1)cccc2)c3cccc(C=CC(NO)=O)c3	2291
+c1cc(ccc1F)S(=O)(=O)Nc2c3c(nc(NC4c5c(CC4)cccc5)cc3)ccc2	554
+O=S1(=O)Nc2c(-c3c1cc(cc3)C)ccc4c2nccc4	1763
+O=S(=O)(Nc1c2ncccc2ccc1)c3c(cccc3)N	0
+O=S1(=O)c2ccccc2-c3c(c4c(cc3)cccn4)N1	1763
+O=S(=O)(c1ccccc1)Nc2c(ncc(-c3ccc4c(c3)N(Cc5ccccc5)C(CO4)=O)c2)Cl	1806
+O=S(=O)(c1cc(OC)c(OC)cc1)Nc2cc(ccc2Cl)C(C)O	4247
+O=S(=O)(CCC)Nc1cc(c(cc1)F)C=O	39
+c1(F)cc(cc(F)c1)NS(=O)(=O)c2cnc(c(C#N)c2)Cl	1014
+O=S(=O)(Nc1cc(F)ccc1SCc2ccccc2C(=O)O)c3cc4c(s3)cccc4	1
+O=S(=O)(C)Nc1cc(Nc2oc(cn2)-c3ccc(C#N)c(F)c3)ccc1	4149
+O=S(=O)(Nc1cccc(c1)Oc2c(C#N)c(cc(F)c2)F)N(C)C	46
+O=S(=O)(Nc1cc(OC)nc(n1)SCc2c(c(F)ccc2)F)N3CCC(CC3)=O	97
+O=S(=O)(Nc1cccc(Oc2cc(F)cc(Nc3c(F)cc(cc3)I)c2C(N)=O)c1)N(C)C	216
+O=S(=O)(c1ccc(Br)cc1Cl)Nc2cc(N)ccc2OC	0
+O=S(=O)(Nc1cc(C=O)ccc1Cl)c2cc(OC)c(OC)cc2	39
+c1cc(ccc1)-c2c(c3c(NS(=O)(=O)c4cc(ccc4)Cl)cc(nc3s2)C)-c5cc(OC)ccc5	268
+O=S(=O)(Nc1cc2c(CC(=O)O)c[nH]c2cc1)C	4
+O=S(=O)(c1cc(c(Cl)s1)-c2cccc(OC)c2F)Nc3ccc(C(O)=O)c(c3)O	1074
+O=S(=O)(c1cccc2nsnc12)Nc3c(C(=O)NCC(c4cc(Cl)c(cc4)Cl)C)cc(Cl)cc3	14
+O=S(=O)(Nc1ccc(-c2c(ccc(CC(=O)O)c2)OC)c(CN(C(=O)OCc3ccccc3)CC)c1)C	3
+O=S(=O)(c1cc(c(Cl)s1)-c2c(O)ccc(F)c2)Nc3cc(c(cc3)C(O)=O)O	1
+O=S(=O)(Nc1ccc(c(O)c1)C(=O)OC)c2cc(c(Cl)s2)-c3c(O)ccc(F)c3	1074
+O=S(=O)(Nc1cc(CO)c(cc1)F)CCC	98
+O=S(=O)(Nc1c(c(C(c2c[nH]c3c2cc(cn3)-c4ccc(C(NCC)=O)nc4)=O)c(cc1)F)F)CCC	814
+O=S(=O)(c1c(cc(cc1)O)CC(NCC)=O)Nc2ccc3COB(c3c2)O	5
+O=S(=O)(Nc1ccc2COB(c2c1)O)c3ccc(cc3CC(=O)O)OC	3
+O=S(=O)(Nc1ccc2c(c1C(O)=O)CCCC2)c3ccccc3N	0
+O=S(=O)(Nc1cccc(C(O)=O)c1)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3	6
+O=S(=O)(Nc1cccc(c1C)Oc2c(c(Nc3c(cc(cc3)I)F)cc(F)c2)N)CC	0
+O=S(=O)(Nc1cc(Oc2c(C#N)c(cc(F)c2)Nc3c(F)cc(cc3)I)ccc1)N(C)C	275
+O=S(=O)(c1ncccc1)Nc2cccc3cc(n(COC)c23)C(=O)NCC(SCc4ccccc4)C(OC)OC	81
+O=S(=O)(c1c(cccc1)N)Nc2cccc3nccnc23	0
+O=S(=O)(Nc1ccccc1Oc2ccc(Cl)cc2Cl)c3ccc(cc3)C(=O)NCC(O)=O	3
+O=S(=O)(Nc1cncc(Cl)c1O)c2cc(c(nc2)OC)C#N	10123
+O=S(=O)(C)Nc1c2cc(ccc2n[nH]1)N	0
+c1cc(ccc1)-c2cc(S(=O)(=O)Nc3ncc(Cl)cc3OC)cnc2	89
+c1cc(ccc1)C2CCN(C2)c3c4ccc(S(=O)(=O)Nc5nccs5)cc4ccn3	43
+O=S(=O)(C)OC1C(CCCC1)Nc2nc3c(s2)cc(Cn4cnc5c4nccc5)cc3	3728
+O=S(=O)(C(CCN=[N+]=[N-])C(=O)O)O	4
+O=S(=O)(c1cc(c(cc1)OC)CCC(=O)OCCS(=O)(=O)c2ccc(cc2)C)Cl	243
+O=S(=O)(c1ccc(F)c([N+]([O-])=O)c1)Cl	240
+O=S(=O)(Cl)c1cc([nH]c1)C(=O)c2c(nccc2)Cl	4958
+O=S(=O)(Cl)c1c(c(cc(c1)[N+]([O-])=O)C)F	240
+c1(Cl)c(F)c(c(c(Cl)c1F)F)S(=O)(=O)Cl	240
+O=S(=O)(Cl)c1cc(C(N)=O)c(NC(C)=O)s1	2508
+O=S(=O)(c1cc(Oc2c(cc(cc2Cl)CC3C(=O)NC(=O)S3)Cl)ccc1OC)Cl	243
+O=S(=O)(Cl)c1ccc(Br)cc1C	243
+O=S(=O)(c1ccc(cc1CCC)Br)Cl	243
+O=S(=O)(O)c1ccc(OC)cc1OC	10124
+O=S(=O)(Cl)c1cc(c(F)cc1)C(O)=O	240
+O=S(=O)(Cl)c1csc(c1C)C(O)=O	10125
+O=S(=O)(c1cc(c(C)s1)C(=O)O)Cl	2206
+O=S(=O)(c1ccc(Cl)c2c1CCN(C(C)=O)C2)Cl	243
+O=S(=O)(Cl)c1c(cc2CCN(C(=O)C)c2c1)Br	243
+O=S(=O)(c1cc(cc(Br)c1F)C(=O)O)Cl	240
+c1(cc(cc(C)c1S(=O)(=O)Cl)OC)C	243
+O=S(=O)(Cl)c1c2ccncc2cc(Br)c1	240
+O=S(=O)(c1ccc2CC(NC(=O)C)Cc2c1)Cl	243
+O=S(=O)(Cl)c1ccc2c(c1)CCN(C(C)=O)CC2	240
+c1cc(ccc1-c2cnc(C)o2)S(=O)(=O)Cl	240
+c1cc(ccc1-n2ccnc2)S(=O)(=O)Cl	240
+c1cc(ccc1CCCCCCCCCCCCCCCCCC)S(=O)(=O)Cl	243
+O=S(=O)(c1ccc(cc1)N2C(=O)C(N3CCc4c3ccc(F)c4Cl)CC2)Cl	240
+c1cc(ccc1S(=O)(=O)Cl)NC(OCC)=O	243
+c1cc(ccc1S(=O)(=O)Cl)NC(=O)c2ccccn2	240
+O=S(=O)(c1c(CCC)ccc(c1)S(=O)(=O)c2ccccc2)Cl	240
+O=S(=O)(c1cc(-c2sc(nc2C)NC(=O)NCC)ccc1OC)Cl	243
+O=S(=O)(Cl)c1cc(Br)ccc1O	243
+O=S(=O)(c1cc([N+]([O-])=O)ccc1Br)Cl	243
+O=S(=O)(c1sc(CNC(=O)c2ccc(cc2)Cl)cc1)Cl	2508
+O=S(=O)(c1c(C)ccc(C(O)=O)c1)Cl	243
+O=S(=O)(Cl)c1c(ccc(CC(OC)=O)c1)C	240
+O=S(=O)(c1c2c(n(c1)S(=O)(=O)c3ccc(cc3)C)ccc(c2)F)Cl	10126
+O=S(=O)(Cl)c1c(SC)ccc(C2CC(O)=C(C(=O)CC)C(=O)C2)c1	243
+O=S(=O)(Cl)c1cc(ccc1Cl)CC	243
+O=S(=O)(c1ccc(cc1)Cc2ccc(cc2)[N+]([O-])=O)Cl	240
+O=S(=O)(Cl)c1c(ccc(c1)C(O)=O)Cl	243
+O=S(=O)(c1c(OC)ccc(F)c1)Cl	243
+O=S(=O)(c1c(F)ccc(c1)[N+](=O)[O-])Cl	243
+c1cc(ccc1N2CCCC2)-c3ccc(cc3)S(=O)(=O)Cl	243
+O=S(=O)(c1cc(C(OC)=O)n(C)c1)Cl	4958
+O=S(=O)(c1c(N)ncc(Br)c1)Cl	10127
+O=S(=O)(c1cc2c(O)ncc(c2cc1)Cl)Cl	240
+O=S(=O)(c1cc(C)c(cc1)OCC(=O)OCC)Cl	240
+O=S(=O)(Cl)c1cc(c(cc1)O)-c2nc(O)c3n(C)nc(c3n2)CCC	240
+c1cc(ccc1C(CF)C)S(=O)(=O)Cl	243
+c1cc(ccc1S(=O)(=O)Cl)C2(CCOCC2)C	243
+c1cc(ccc1S(=O)(=O)Cl)CC(O)=O	243
+c1cc(ccc1CCCF)S(=O)(=O)Cl	243
+c1cc(ccc1CNC(=O)c2ccc3n(ccn3)c2)S(=O)(=O)Cl	240
+c1(F)cc(cc(F)c1Oc2ccc(cc2)S(=O)(=O)Cl)C=C(C)C(OCC)=O	243
+O=S(=O)(Cl)c1c(Br)ccs1	2206
+C(O)(c1c2c(ccc1OC)cc(-c3cc(ccc3)OC)cc2)=O	1775
+C(c1c(Cl)nc2c(CCCC2)c1Cl)(O)=O	3070
+c1c(Br)c(cc(C)c1F)C(=O)O	1775
+c1(ccc(OC)c2c1cc(C)o2)C(=O)O	1775
+c1ccccc1COC(=O)c2ccc(c(F)c2)C(=O)O	1775
+c1cc(ccc1F)CNC(=O)c2c(O)c(c(nc2)C(O)=O)OCc3ccccc3	10128
+c1cc(ccc1)CN2CC(CCCC2)NC(=O)N3CCC4N(S(=O)(=O)O)C(C34)=O	10129
+OC(C(=O)N)CC(C([N+](=O)[O-])C)CC	1004
+S(c1cc(Oc2c(nccc2)CC)c(nc1)C(N)=O)c3ccccn3	862
+O=C(N)c1cnn2cc(cc2c1Cl)Br	1869
+c1(ccc2c(c(ccc2)Cc3c(cc(C(=O)OC)cc3)OC)c1)C(=O)O	10130
+O=C(N)c1c(C)cc(cc1Br)F	2265
+c1(c(c(Cl)ncc1)C(=O)N)C	4831
+c1(c(ccc(c1I)C)C(=O)O)F	3125
+c1(ccc(Cl)nc1C(=O)N)[N+]([O-])=O	862
+c1(ccc(C(=O)N)c(F)c1C)Br	2681
+c1(cccc(I)c1F)C(=O)O	3125
+O=S(=O)(O)c1cc2c(cc1)N(C)CCC2	3126
+c1(cc(OC)c([N+]([O-])=O)c(c1)F)C(=O)O	3125
+O=S(=O)(O)c1c2c(ccc1OC)c(Cl)ncc2	3126
+c1ccccc1-n2cc(C(=O)N)c(N)n2	4959
+c1ccccc1C(c2ccccc2)(CCC(C)(C)N(C)Cc3ccccc3)C(N)=O	1004
+C1CC(CCN1Cc2ccccc2)(Nc3cc(C)ccc3)C(=O)N	1004
+c1cc(ccc1-c2nsc(NC(NCCCN3CCCC3)=O)c2C(=O)N)[N+](=O)[O-]	1856
+c1cc(ccc1-c2nc3ccc(cn3c2)I)C=O	3243
+c1cc(ccc1C2(c3ccc(cc3)F)CCC(CC2)N4CCC(CC4)(C(N)=O)Nc5ccccc5)F	1004
+c1cc(ccc1F)C(C(=O)N)N	2006
+c1cc(ccc1-c2oc(c(C(OCC)=O)c2)C)O	10131
+c1cc(ccc1N2C(C(=CC=C2CC)C(O)=O)=O)F	10132
+C1CN(CCC1(Nc2ccc(cc2)F)C(N)=O)C(=O)OCC	2006
+c1cc(ccc1OC)-n2ncc(C(N)=O)c2N	4959
+O=S(=O)(c1ccc(c(c1)N)N)O	3126
+c1ccccc1C(c2ccccc2)(CCCN(C)Cc3ccccc3)C(=O)N	1004
+c1ccccc1C(c2ncccc2)C(=O)N	2006
+c1ccccc1CN(CCC(c2ccccc2Cl)(CCN3CCCCC3)C(N)=O)C(C)C	1004
+n1c(c(c(s1)N)C(=O)N)-c2cc([N+]([O-])=O)ccc2	1856
+n1c(c(ccc1F)[N+]([O-])=O)C(=O)N	862
+c1cc(ccc1Oc2cc(cnc2C(N)=O)Sc3ncccn3)F	862
+O=S(=O)(c1c(cc(c(c1)[N+](=O)[O-])OC)OC)O	31
+c1cc(ccc1)C(=O)Nc2ccc(S(=O)(=O)O)c3ccccc23	50
+O=S(=O)(c1ccc(cc1)Oc2ncc(Br)s2)O	4960
+c1cc(ccc1S(=O)(=O)O)OCC#Cc2ccc(cc2)Cl	476
+[N-]=[N+]=NC(C)CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C	298
+Oc1c(C(C(OC)=O)=NOC)cccc1	4910
+c1(c(OC)c(Br)cc(Br)n1)C(=O)OC	10133
+c1(ccccc1CC(c2sccc2C)N(C=O)C)OC	297
+N#Cc1ccc(SC)c(C#N)c1C	10134
+COc1c(Br)cc(cc1C)Br	297
+O(C)c1c(I)c(C)c(Cl)cc1C(=O)C	297
+c1(ccc(nc1N)OC)Br	10135
+c1cc(C(=O)OC)c2cc(C)oc2c1OC	3127
+N1=NN(c2cccc(OCC)c2C)C(=O)N1C	3091
+c1(ccccc1Cl)Oc2ccc(OC)c(C=O)c2	297
+c12c(Nc3cccc(SC)c3S1)cc(OC)cc2	297
+O=C1C=Cc2cc(-c3cnccc3)ccc2N1C	10136
+COc1cc2c(cc1)n(cc2CC(OC)=O)C	10137
+c1c(C)c(c(cc1)C)OC	297
+c1c(cc([N+]([O-])=O)c(C(=O)OC)c1)Br	3127
+c1c(OC)cc2OCCOc2c1	297
+c1cc(N)cc2c1ccc(OC)c2	297
+c1cc(ccc1)C(c2c(cn(C)c2C)NC(CCl)=O)=O	10138
+c1cc(ccc1)CNC(=O)C(COC)NC(=O)OCC	1541
+c1ccccc1Oc2cccc(c2OC)C	297
+c1cc(ccc1OCCCCCCCCN=[N+]=[N-])N=Nc2ccc(O)c(c2)C(OC)=O	3127
+COc1ccc(c(c1)O)-c2nnc(cc2)Cl	297
+O(C)c1ccc(F)c2c1cccc2	297
+c1ccccc1COc2c(C)c(OC)c(cc2)C=O	297
+c1cc(ccn1)-c2nn(C)cc2	4961
+c1n(C)ncc1[N+]([O-])=O	4961
+C12C(C3(CCC(CC3CC1O)OCCO)C)CC(O)C4(C)C2CCC4C(C)CCC(OC)=O	10139
+c1cc(ccc1COC(=O)N2CCC(N=[N+]=[N-])C2)[N+]([O-])=O	298
+C1C(CN1C(c2nnc(-c3ccc(cc3)OC)o2)=O)Oc4c(cc(C=O)cc4)Cl	624
+O=S(=O)(OC1CN(C1)c2c(c3c(C(C(=CN3C4CC4)C(O)=O)=O)cc2F)F)C	108
+C1N(CC1SC(=O)C)c2scc(C(=O)NC3CN(CC3)C(=O)OCc4ccc(cc4)[N+]([O-])=O)n2	2128
+C1CC(CCC1)CCCCCCCCCCCCOCC(COCCOCCO)OC	967
+c1ncn(CC(c2ccc(c(c2)Cl)Cl)CC=C)c1	1193
+c1(C)c(ccc(OCC)c1)[N+]([O-])=O	4962
+O(c1ccc(Cl)c(C)c1C(=O)c2c(C)cc(OC)c(OCC)c2OC)C	4962
+[N-]=[N+]=NCC1C(O)c2c(O1)c(Cl)cc(c2)Br	133
+c12cccc(OCC3CO3)c1nc(C)s2	10140
+c1cc(ccc1COc2c(cc(c(OCC3OC3)c2)C(=O)NC)Cl)OC	2598
+c1cc(ccc1OC(=O)C(C)(C)CCCCCC)OCC2CO2	2598
+N(=[N+]=[N-])CC1CCOC1	133
+N(=[N+]=[N-])CC1OC(N2C=C(I)C(N)=NC2=O)CC1O	254
+[N-]=[N+]=NCC1ON=C(c2ccc(Br)cn2)C1	133
+C(C1CCc2cc(cc(-c3ccccc3Cl)c2O1)F)N=[N+]=[N-]	254
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	133
+c1ccccc1COCCOCCOCCOCCOCCOCCOCCCCCC(OCC)=O	967
+c1nc2c(c(Nc3cc(c(Cl)cc3Cl)OC)c1C#N)cc4cc(c(OCCCCl)cc4c2)OC	267
+N1C(=O)C(=C(c2cn(CCCSC)c3ccccc23)C1=O)c4cn(C)c5ccccc45	786
+c1cc(ccc1)CNCCN2C(Cl)=CNC(=NCCc3ccccn3)C2=O	10141
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(OCCN=[N+]=[N-])CC2COc4c(F)ccc(F)c34	133
+C(COCCN=[N+]=[N-])OCCO	133
+c1c(cc(OCCOCCOCCOCCN=[N+]=[N-])c(OC)c1OC)C=O	885
+c1cc(ccc1COCCOCCOCCN=[N+]=[N-])OC	133
+c1ccccc1Oc2ccc(F)cc2NCc3c(OCCOS(=O)(=O)C)ccc(c3)OC	208
+N#Cc1cc(F)c(cc1F)CN=[N+]=[N-]	2289
+O=S(=O)(c1cc2c(cn(c2cc1)N)C)C	10142
+Oc1c(cccc1)NC(c2c3c([nH]cc3)ccc2)=O	4963
+c1cc(ccc1C)S(=O)(=O)Oc2c(OC)ccc(CO)c2	41
+c1(c([N+]([O-])=O)cc(c(C)c1)O)OC	3128
+Clc1cc(F)c(cc1O)-n2c(c(C)c(n2)C)C	3128
+O=S(=O)(Oc1cc(C)cc(OCCC=O)c1)c2cccc3nsnc23	24
+c1(n(nc(C)c1[N+](=O)[O-])-c2cc(c(Cl)cc2F)O)C	3128
+O=S(=O)(C)Oc1c(Cl)cc(F)c(c1)[N+](=O)[O-]	31
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CC(OCCCCCC)C(=O)OC	20
+O=S(=O)(Oc1ccc(cc1)OCCCc2ccc(cc2)OCc3ccccc3C(=O)O)C	1
+O=S(=O)(Oc1ccc(cc1)OCCc2ccc(cc2)OCc3ccccc3C(=O)O)C	1
+c1cc(ccc1C)S(=O)(=O)Oc2cc([N+]([O-])=O)c(cc2C(C)C)OC	77
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(C(OC)=O)c3c(c4ccnn4cc3)cc2	69
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(C(=O)OC)c3ncc4c(cco4)c3cc2	69
+C1CC(CCC1O)Oc2nc(nc3[nH]ncc23)-c4ccc(cc4)NS(=O)(=O)c5c(ccc(C)c5)C#N	69
+O=S(=O)(c1n(ncc1C(N=[N+]=[N-])=O)C)N	2279
+O=S(=O)(c1c(C(=O)OC)cccc1)NC(=O)Nc2nc(cc(C)n2)COC3OCCCC3	1722
+O=S(=O)(NC(=O)Nc1nc(cc(C)n1)CO)c2c(C(=O)OC)cccc2	168
+C1COCCN1S(=O)(=O)c2c(C(N)=O)[nH]c3c2ccc(Br)c3	10143
+c1(nc(nc(OC)c1)N(c2ccccc2)C(NS(=O)(=O)c3cc(ccc3C(OC)=O)CCNC(=O)OC)=O)OC	10144
+O=S(=O)(N(COCCOC)c1onc(c1Cl)C)c2c3c(sc2Cc4ccc(C)cc4C)nccc3	1429
+c1cc(ccc1S(=O)(=O)OCC2COc3c(cc(S(=O)(=O)C)cc3O2)F)C	1293
+O=S(=O)(n1c2c(cc1)c(Br)ccc2)c3c(C)cccc3	367
+c1cc(ccc1OCCOS(=O)(=O)c2ccc(cc2)C)CC3SC(=O)NC3=O	1293
+c1ccccc1N2C(=O)CC(COS(=O)(=O)c3ccc(cc3)C)C2c4cc(OC)ccc4	1293
+O=S(=O)(N)c1sc(nc1C)N	1176
+O=S(=O)(c1c(C)nc(N(C)C(Cc2ccc(cc2)-c3cc(F)ccc3F)=O)s1)N	10145
+O=S(=O)(c1cc(S(=O)(=O)c2ccccc2)ccc1CCC)NCCc3ccccn3	71
+c1ccccc1S(=O)(=O)c2cc(c(CCC)cc2)S(=O)(=O)NCCc3ccccc3	71
+O=S(=O)(c1c(CNC(C2CCN(CC)C2)=O)cc(cc1)F)Nc3c(c4OCC5CC5c4cc3)C(O)=O	1
+c1ccccc1NC(=O)OC(CN(C(NC(C)C)=O)CCCCNS(=O)(=O)c2c(Cl)cc(cc2)Cl)COC	589
+CN(C)S(=O)(=O)c1c(ccc(NC(=S)Nc2cccc(F)c2F)c1O)Cl	773
+O=S(=O)(NC1CC1)c2c(O)c(N)ccc2Cl	0
+O=S(=O)(c1c(ccc(N)c1O)Cl)N	0
+O=S(=O)(N(c1ccncn1)Cc2ccc(cc2OC)OC)c3c(F)c(c(cc3)F)F	2023
+O=S(=O)(C)c1c(cc(cc1)CC(=O)C)F	4964
+O=S(=O)(c1c(F)ccc(c1)-c2cc(C=O)ccc2O)C	5
+O=S(=O)(Nc1cccc(c1F)C=O)c2c(F)ccc(c2)F	39
+c1ccccc1CN(Cc2ccccc2)C(COC(=O)N3CCC(CC3)Nc4ccccc4S(=O)(=O)c5ccccc5)C	231
+O=S(=O)(N1c2cc(N)ccc2CCC1)c3c(OC)ccc(c3)Cl	0
+O=S(=O)(c1c(OC)cccc1)Oc2cc(C)cc(OCCC=O)c2	24
+O=S(=O)(c1ccc(C)cc1N)Nc2cc(OC)cc3cccnc23	0
+O=S(=O)(Nc1c2ncccc2ccc1)c3c(N)ccc(C)c3	0
+O=S(=O)(Oc1cc(OCCC=O)cc(C)c1)c2c([N+]([O-])=O)cccc2	24
+O=S(=O)(c1c(C=O)c(Cl)c(cc1)C(O)=O)C	1
+O=S(=O)(C)c1ccc(C(=O)OC)c(Cl)c1C=NO	135
+O=S(=O)(Nc1c(Br)nc(Br)cn1)c2cccc(c2Cl)Cl	3513
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3cnc4n(c3N)ncc4C(OCC)=O	69
+c1ccccc1CS(=O)(=O)c2cc(C(O)=O)cc(S(=O)(=O)N)c2Cl	902
+O=S(=O)(c1c(-c2ccccc2)c(N)cc(c1)C(=O)O)N	0
+O=S(=O)(C)c1c(c(ccc1)-c2ccncc2)-c3ccc(cc3)O	16
+O=S(=O)(c1cc(F)c(cc1F)F)N(Cc2c(OC)cc(OC)cc2)c3ncncc3	2023
+O=S(=O)(c1ccc(NC(=O)CNc2ccccc2)cc1Cl)N	1391
+O=S(=O)(O)c1cc(c(cc1OC)OC)N	0
+O=S(=O)(c1ccc(cc1Cl)Cl)Nc2cc(Cl)c(c(c2)Cl)Oc3cc4c(ccc(C(OC)=O)c4)nc3	69
+O=S(=O)(C)c1ccc(N)cc1F	0
+c1cc(ccc1)COC(COc2cc(C)c(c(c2)C)S(=O)(=O)Cl)=O	204
+O=S(=O)(C)c1c(COC)ccc(Br)c1	49
+O=S(=O)(NC(COC)Cc1c2c(cccc2)[nH]c1)c3cc(ccc3OC(C)C)Br	21
+c1ccccc1COC2CCCN(S(=O)(=O)c3c(ccc(C(=O)OC)c3)Br)CC2	149
+O=S(=O)(c1c([N+]([O-])=O)ccc(C)c1)Nc2c3c(ccc2)cccn3	322
+O=S(=O)(c1c(ccc(Cl)c1)F)Nc2ccc(cc2)-c3nc4[nH]ncc4c(n3)OC5CCC(CC5)O	1002
+O=S(=O)(N)c1cc(ccc1OCC(=O)N2CC(C)N(CC2C)Cc3ccc(cc3)F)Cl	648
+O=S(=O)(c1c(ccc(Cl)c1)O)N	5
+c1ccccc1COC2CCCCC2NC(Nc3c(c(S(=O)(=O)N)c(Cl)cc3)O)=O	406
+O=S(=O)(c1c(Cl)ccc(N)c1O)N(C)C	0
+O=S(=O)(c1c(O)c(ccc1Cl)N)NCC	0
+O=S(=O)(Oc1cc(O)cc(C)c1)c2c(OC)cccc2	992
+c1cc(ccc1S(=O)(=O)c2c(cccc2)Br)C=O	39
+C1CCCN1CCOc2ccc(cc2)N(Cc3cccc(OC4OCCCC4)c3)S(=O)(=O)c5c(C#N)cccc5	416
+O=S(=O)(c1ccccc1Cc2c(n(c3ccc(F)cc23)CC(OC)=O)C)O	1919
+c1cc(ccc1-n2c(nc3c2nc(cc3C)C)CC)CCNC(=O)NS(=O)(=O)c4c(cccc4)Cl	10146
+O=S1(=O)c2ccccc2-c3c(c4nccnc4cc3)N1	1763
+c1ccc2c(c1)C(=O)N(C2=O)CC(Cc3ccccc3)N(Cc4c(cccc4)C(=O)O)S(=O)(=O)c5c(cccc5)OC	1
+O=S(=O)(Nc1c(C=O)cccc1)c2ccccc2[N+](=O)[O-]	39
+C(=C)CONC1C=C(C)C(NC1)C(=O)N	2862
+O=S(=O)(N=C=O)c1cscc1C	4361
+O=S(=O)(c1cc(sc1Cl)Cl)NC(C)COc2cccc3cnccc23	10147
+O=S(=O)(Nc1c(cc(NCCCCCC)cc1)OC)c2c(C(OC)=O)scc2	4869
+O=S(=O)(c1ccsc1C(OC)=O)N(C)CC(O)c2ccc(cc2)F	10148
+C1CN(CCO1)S(=O)(=O)c2c([nH]c3c2cccc3N)C(=O)N	13
+O=S(=O)(c1cccc2c3NC(C(Nc3cc([N+]([O-])=O)c12)=O)=O)N	10149
+ClCC(CCl)Oc1c(c(ccc1)CS(=O)(=O)c2cccc3c2cccc3)N	0
+O=S(=O)(c1c2c(cccc2)ccc1)n3ncc4c3cc(cc4)N	0
+O=S(=O)(N)c1n(nc2cccc(OCCF)c12)C	10150
+c1ccccc1C(=O)CNC(CC2COCc3ccccc3CN2S(=O)(=O)c4cccc5cccnc45)=O	612
+O=S(=O)(Cc1c(c(OCCCl)cc(F)c1)[N+]([O-])=O)c2cccc3c2cccc3	1177
+O=S(=O)(Cc1cc(ccc1[N+]([O-])=O)OC2CN(Cc3ccccc3)CC2)c4c5ccccc5ccc4	1177
+O=S(=O)(Cc1cc(F)ccc1[N+]([O-])=O)c2cccc3c2cccc3	1177
+c1ccccc1COC(N2CCC(C2)Oc3cc4c([nH]nc4S(=O)(=O)c5cccc6ccccc56)cc3)=O	1025
+O=S(=O)(N(c1onc(C)c1Cl)COCCOC)c2c3cccnc3sc2Cc4cc5OCOc5cc4C	1429
+O=S(=O)(c1cc(-c2c(c3c([nH]2)cccc3)CC(=O)O)ccc1Cl)Cc4cc(Cl)ccc4	4
+O=S(=O)(c1cccc(-c2sc(cc2)-c3nn(C)cc3-c4ccccc4Cl)c1)C	800
+O=S(=O)(c1cc(c(cc1)Oc2c(cccc2CO)C)Br)CC	41
+O=S(=O)(CCC)c1cc(OCCCCCCc2cccc(OCCCC(OCC)=O)c2CCC(OCC)=O)cc(Br)c1	8
+O=S(=O)(c1cc(ccc1OC)C#N)Cl	274
+O=S(=O)(c1ccc(c(c1)C(O)=O)SC)C	411
+O=S(=O)(n1c2ccccc2cc1)c3cc(c(cc3)Br)C(O)=O	367
+O=S(=O)(c1cc([N+]([O-])=O)cc(c1)C(=O)O)C	31
+O=S(=O)(Nc1c2ncccc2ccc1)c3c(N)cc(F)c(c3)C	0
+O=S(=O)(Nc1ccccc1OC)c2cc(C=CC(O)=O)ccc2	127
+c1cc(ccc1F)CC(C(OC)=O)c2cc(ccc2)S(=O)(=O)C	3546
+O=S(=O)(c1c2c(cccc2[N+](=O)[O-])c(c(CCO)c1)Br)N	59
+c1cc(ccc1)CNS(=O)(=O)c2cccc(c2)C=O	39
+c1cc(ccc1C#N)NC(c2ccc3c(N(S(=O)(=O)c4c(OC)ccc(Cl)c4)CCO3)c2)=O	67
+c1cc(ccc1C(OCC)=O)NC(c2ccc3c(N(S(=O)(=O)c4c(OC)ccc(Cl)c4)CCO3)c2)=O	67
+c12c(cccc1)C(=O)N(C2=O)OCCCOc3cc(OS(=O)(=O)c4cc(Cl)ccc4OC)cc(C)c3	1395
+O=S(=O)(Nc1ccc(C(=O)OCCOCCO)c(O)c1)c2cc(Cl)sc2Cl	47
+O=S(=O)(C)c1ccc(C(Nc2ccc(cc2F)Br)=O)c(F)c1	50
+O=S(=O)(c1ccc(c(c1)F)F)n2c(cc(c2)C=O)-c3ccccn3	917
+c1cc(ccc1OC)Cn2nc(-c3cc(ccc3)NS(=O)(=O)c4cc(ccc4F)F)c(-c5ccnc(N)n5)c2	69
+O=S(=O)(c1cc(ccc1F)F)Nc2ccc(c(c2F)-c3nn(cc3-c4ccncc4)CC)F	69
+O=S(=O)(c1cc(N2C(Nc3c(c(C#N)sc3)C2=O)=O)ccc1)N4c5ccccc5CCC4	4965
+O=S(=O)(N1c2ccccc2CCC1)c3cc(ccc3)N4C(=O)Nc5csc(c5C4=O)-c6nnn[nH]6	10151
+O=S(=O)(c1cc(OC)c(cc1)OC)Nc2c(Cl)ccc(c2)C(C)=O	155
+CC(C)(c1ccc(Cl)c(NS(=O)(=O)c2cc(OC)c(cc2)OC)c1)O	3129
+O=S(=O)(NCCC(O)=O)c1cc(OC)ccc1	3
+c1cc(ccc1)CNS(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2	3564
+O=S(=O)(c1cc(c([N+]([O-])=O)cc1)N)C	10152
+O=S(=O)(c1cc(cc(Cl)c1)[N+]([O-])=O)NC	1030
+O=S(=O)(c1cc(cc(C(O)=O)c1)N)C	0
+O=S(=O)(C)c1cc(O)c(c(F)c1)CO	49
+c1cc(ccc1)N(C)S(=O)(=O)c2cc(c(Cl)cc2)[N+](=O)[O-]	416
+O=S(=O)(c1cc(c2c(c1)[nH]cn2)Br)c3cc(C(OC)=O)sc3SC	631
+O=S(=O)(c1ccc(c(N)c1)N)C	0
+O=S(=O)(c1cc(c(O)c(c1)N)Br)CC	0
+O=S(=O)(c1cc(c(C(O)=O)c(c1)F)O)C	1
+O=S(=O)(c1cc(c(Cl)cc1)C)Nc2c(C(c3c(cccc3C)OC)=O)ncc(Cl)c2	2258
+O=S(=O)(c1cc(c(Cn2c3c(cccn3)c(CC(=O)O)c2C)cc1)Cl)C	4
+O=S(=O)(c1ccc(NC(CNc2ccccc2)=O)c(C)c1)N	1391
+C1CC(CCN1)N2CCC(Nc3c(cc(S(=O)(=O)C)cc3)F)C2=O	62
+O=S(=O)(c1cc(c(Oc2cc(ccc2CCc3nnn[nH]3)Cl)cc1)Cl)C	1104
+O=S(=O)(c1cc(c2ncn(c2c1)-c3ccccc3)Br)c4cc(C(OC)=O)sc4SC	2846
+O=S(=O)(c1cc(cc(c1)Cl)N)NC	0
+O=S(=O)(c1cc(Br)cc(c1)OCCCCCCc2cccc(OCCCC(OCC)=O)c2CCC(OCC)=O)C	8
+O=S(=O)(c1cc(Br)cc(c1)O)CCC	5
+O=S(=O)(c1cc(CO)ccc1)NCc2ccccc2	49
+O=S(=O)(c1cccc(CO)c1)NCc2ccccn2	49
+O=S(=O)(c1cc(ccc1)C)N2c3cc(cnc3CCC2)C(O)=O	1
+O=S(=O)(c1cc(ccc1)F)c2ccc3CCC(Oc3c2)CN	18
+O=S(=O)(Cc1c(c(c(-c2ccoc2)cc1)OC)C(=O)OC)c3cc(ccc3)OC	10153
+c1cc(ccc1-n2c(C)c(-c3ccccc3)c(C)n2)CCNC(=O)NS(=O)(=O)c4cccc(OC)c4	1777
+c1cc(ccc1)C(NC(c2cc(ccc2)NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)CC(OCC)=O)=O	69
+c1ccccc1C(C(=O)NC(CC(=O)OCC)c2cc(ccc2)NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)CC	69
+O=S(=O)(c1cc(ccc1Cl)-c2c(c3cccc(Cl)c3[nH]2)CC(=O)OC)NC4CCCCC4	2155
+O=S(=O)(c1cc(-c2c(CC(OC)=O)c3ccccc3[nH]2)ccc1Cl)Cc4cc(Cl)ccc4	2155
+O=S(=O)(c1cc(-c2[nH]c3c(Cl)cccc3c2CC(O)=O)ccc1Cl)NC4CCCCC4	4
+O=S(=O)(F)c1cc(ccc1Cl)N	0
+O=S(=O)(c1cc(ccc1F)N)NC2CC2	0
+c1cc(ccc1)-c2nc(cc(c2)S(=O)(=O)c3ccc(cc3)N)N4CCCC4	119
+c1cc(ccc1)C#Cc2nc(N3CCCC3)cc(S(=O)(=O)c4ccc(cc4)N)c2	943
+O=S(=O)(C)c1ccc2N=C(N(C(c2c1)=O)C)C(N3CCN(CC3)S(=O)(=O)c4ccc(cc4)OC)C	10154
+O=S(=O)(c1ccc2NC(C(C)(C)Cc2c1)c3cccc([N+](=O)[O-])c3)C	414
+O=S(=O)(c1cc2C(CCc2cc1)O)C	74
+O=S(=O)(c1ccc2c(C=CC2)c1)C	1358
+O=S(=O)(c1cc2CCCC(c2cc1)C#N)c3ccccc3	4966
+O=S(=O)(c1cc2CCCC(c2cc1)CN)c3ccccc3	51
+O=S(=O)(c1ccccc1)c2cc3c(cc2)C(CCC3)CN=C(N)N	4967
+O=S(=O)(C)c1cc2OC(COc2cc1)COS(=O)(=O)c3ccc(cc3)C	36
+O=S(=O)(C)c1cc2OC(COS(=O)(=O)c3ccc(cc3)C)CCc2cc1	36
+c1cc(ccc1Cc2c3ccc(cc3[nH]c2C)S(=O)(=O)C)Br	1919
+O=S(=O)(c1ccccc1)c2ccc3C(O)CCCc3c2	74
+c1cc(ccc1S(=O)(=O)c2cc3c(cc2)cc(Br)cc3)O	5
+c1cc(ccc1S(=O)(=O)c2c3ccc(S(=O)(=O)C)cc3ccc2OC)F	2290
+O=S(=O)(c1sc2c(c1)cc(CO)cc2)N	59
+O=S(=O)(c1ccc2ncnc(Nc3cc(ccc3)C#C)c2c1)n4cc(cc4)C=CC(=O)OCC	2212
+c1cccn1-c2cc(C(=O)NC(=O)Nc3sc4cc(S(=O)(=O)C)ccc4n3)c(cc2)Cl	10155
+O=S(=O)(c1ccc(-c2sc(nc2C)NC(=O)NCCc3ncc(o3)CC)cc1F)C	10156
+O=S(=O)(C)c1c(cc(-c2c(nc(s2)NC(C)=O)C)cc1)-n3cncc3	431
+O=S(=O)(c1ccc(-c2oc(C)cc2)c(F)c1)Nc3cc(ccc3)N	0
+C1C(C)NC(CN1c2ccc(OC)c(NS(=O)(=O)c3ccc(-c4ccc(C)o4)cc3Cl)c2)C	1752
+O=S(=O)(c1ccc(s1)C(O)=O)N2CCN(C(c3ccccc3)=O)CC2C	6
+C1CC(CCC1CC(c2cc(c(S(=O)(=O)C)cc2)Cl)C(Nc3cnccn3)=O)=O	1018
+O=S(=O)(c1ccc(C(=O)O)c(c1C=2CCON=2)C)C	1
+O=S(=O)(C)c1ccc(C(O)=O)c(C)c1OCCOC	1
+C(C)C(CC)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)O	684
+C1CN(CCC1OC2=CC(=O)N(C=C2)c3c(cc(S(=O)(=O)C)cc3)C)c4ncc(cn4)CCC	4181
+CC(C)(c1sc(nn1)NC(c2cc(ccc2F)S(=O)(=O)NCC)=O)c3ccccc3	900
+O=S(=O)(C1CC(C(NC2(CC2)C#N)=O)C(C1)COc3ccncc3)c4ccc(F)cc4Cl	1175
+OB(O)c1ccc(CCOC(Nc2cccc(C#N)c2)=O)c(c1)C	4968
+OB(O)c1ccc(CCOC(Nc2cccc(C#N)c2)=O)c(CC)c1	4968
+O=S(=O)(c1ccc(Oc2c(F)cc(cc2)F)c(N)c1)N	0
+c1ccccc1-c2cc(S(=O)(=O)C)ccc2C=O	39
+c1cc(ccc1)C(COc2c(C(=O)c3ccc(S(=O)(=O)C)c(C4=NOCC4)c3C)cnn2CC)=O	10157
+O=S(=O)(c1ccc(c(Cl)c1)Cl)n2c(c(c3c2nccc3)C(C(=O)O)C)C	4
+c1cc(ccc1NCC(=O)Nc2c(Cl)cc(S(=O)(=O)N)cc2)Cl	1391
+O=S(=O)(C)c1ccc(C(O)=O)c(c1C2=NOC(C2)C)Cl	1
+O=S(=O)(c1c(c(F)c(F)cc1)F)C2CC2	4948
+c1cc(ccc1-c2nc3c(cc(S(=O)(=O)C)cc3)[nH]2)Br	10158
+O=S(=O)(Oc1c(-c2ccccc2)cc(cc1)C(=O)c3c(Cl)cccc3)c4cc(O)c(cc4)C(O)=O	1163
+c1ccccc1S(=O)(=O)c2ccc(c(N)c2)O	0
+O=S(=O)(c1cc(c(cc1)Cn2c(C)c(c3c2nccc3)CC(=O)OC)Cl)C	1836
+c1cc(ccc1OC)-c2c(nc3cc(ccc3n2)S(=O)(=O)O)-c4ccc(cc4)OC	3113
+c1cc(ccc1F)C(c2ccc(cc2)F)CCN(C3CC3)C(Nc4nc(-c5ccc(cc5)S(=O)(=O)N)c(Cl)s4)=O	2704
+O=S(=O)(c1ccc(cc1)-c2cnc(nc2)CC)Nc3c(F)c(F)c(c(c3F)F)C(O)=O	1
+O=S(=O)(c1ccc(cc1)-n2c3ncccc3c(C(O)=O)c2)C	1
+c1cc(ccc1Br)S(=O)(=O)NCCCCOc2ccc(cc2)-n3cnnn3	71
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)c3ccncc3)Cl)Br	69
+O=S(=O)(c1ccc(cc1)C(C=Cc2cc(-c3[nH]c4ccccc4c3)c(OC)cc2OC)=O)NCC(=O)O	2292
+O=S(=O)(c1ccc(cc1)C(CN(Cc2c(C)c3c(s2)C(=O)C(C(NCc4ccc(cc4)Cl)=O)=CN3C)C)O)N	822
+c1ccccc1COc2nn(Cc3ccccc3)cc2CC#N	881
+O=S(=O)(N1C=CNC(=O)C1Cc2cn(nn2)C3c4c(CCC3)cc(C=O)cc4)c5ccc(cc5)C	642
+c1cc(ccc1C)S(=O)(=O)NC2CCCC2(N)C	18
+O=S(=O)(c1ccc(cc1)C)OC(Cc2nn3c(nc4c(c3n2)cccc4OC)N)C	4184
+N1(CCc2c(nc(o2)C)C1)C(Cc3nn4c(c5cccc(OC)c5nc4N)n3)C	2687
+O=S(=O)(c1ccc(cc1)C)OC=2C=3C(N(C4CC4)C(N(c5cccc(N)c5)C=3N(C)C(C=2)=O)=O)=O	0
+FC(F)(F)C1(COS(=O)(=O)c2ccc(cc2)C)OC1	10159
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(cc4CCCc4c3O2)Cl)C	419
+O=S(=O)(c1ccc(cc1)C)OCC(Cc2c(O)c3c(cc2Cl)CCC3)O	16
+C(C)(=O)CC(C(O)CN=[N+]=[N-])O	254
+C1CC(CCC1)(C)COc2ccc(cc2)C	450
+c1c(C)c(c(cc1OCC2CN(C)c3ccccc3O2)C)Br	267
+c1cc2c(noc2cc1F)-c3cc(ccc3)OCC4CO4	450
+O=S1(=O)CC(CC1)COc2c3ccn(-c4nc(ncc4)SCCC)c3ccc2	267
+[N-]=[N+]=NCC1COc2cccc(c2N1)OC	254
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CC4OC(N(Cc5ccc(cc5)F)C4)=O	236
+[N-]=[N+]=NCC1OCN(C1)c2ccc3C(N4C(=Nc3c2)C(c5cc(ccc45)F)=O)=O	254
+CC(C)=CCCC(=CCCC(C)=CCCCOCC(C(CO)O)O)C	10160
+c1cc(ccc1CSCCn2ccnn2)OCC=C	10161
+c1cnccc1-c2cn(c3nc(Cl)nc(c23)Nc4ccc(cc4)F)S(=O)(=O)c5ccc(cc5)C	2997
+c1cnccc1-c2c3c(NC4CC4)nc(nc3n(c2)S(=O)(=O)c5ccc(cc5)C)Cl	2997
+O=S(=O)(c1ccc(cc1)C)n2c3c(cc2)n4c(cn3)nnc4C5C(CC(Nc6sc(C#N)cn6)C5)CC	4843
+n1c(NC2CC(C(CC)C2)c3nnc4cnc5[nH]ccc5n34)sc(c1)C#N	4969
+O=S(=O)(c1ccc(cc1)C)n2c3c(cc2)n4c(C5CC(N)CC5CC)nnc4cn3	524
+c1ccccc1-c2cc3c(nc2)[nH]cc3-c4ccc(cc4)C(O)=O	392
+O=S(=O)(c1ccc(cc1)C)n2c3c(c(c2)I)c(nc(Cl)n3)Nc4ccc(cc4)F	1665
+O=S(=O)(n1c2nc(Cl)nc(c2c(I)c1)NCc3ccccc3)c4ccc(cc4)C	974
+c1cc(ccc1S(=O)(=O)n2ccc3c2nc(nc3Nc4cc5c(cc4)c[nH]n5)Nc6ccc(cc6)N(C(=O)C)C)C	55
+c1cc(ccc1SC)Nc2nc3n(ccc3c(n2)Nc4cc5c(cc4)c[nH]n5)S(=O)(=O)c6ccc(cc6)C	55
+c1cc(ccc1Nc2nc(Nc3cc4c(cnn4C)cc3)c5c(n(cc5)S(=O)(=O)c6ccc(cc6)C)n2)C(=O)N	55
+O=S(=O)(n1c2c(cc1)c(Br)cnc2O)c3ccc(cc3)C	3107
+c1cc(ccc1)C(c2ccccc2)CCN3CCC(CC3)N(C)C(Cc4ccc(cc4)S(=O)(=O)F)=O	10
+c1cc(ccc1CNC(=O)c2cnc3c(cn[nH]3)c2)S(=O)(=O)c4ccccc4	56
+c1ccccc1C(c2cc(Br)ccc2C(=O)N(CC(CCC)O)Cc3ccc(cc3)S(=O)(=O)C)=O	30
+O=S(=O)(c1ccc(cc1)Cc2ccc(cc2)N)N(C)C	0
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCN	18
+c1cc(ccc1CN(C(CC)c2ccccc2)S(=O)(=O)c3ccc(cc3)Cl)C(OC)=O	692
+O=S(=O)(N(C1C(CCCC1)C)Cc2ccc(cc2)C(=O)OC)c3ccc(cc3)Cl	692
+c1cc(ccc1S(=O)(=O)N(Cc2ccc(cc2)-c3ncon3)C4CCCCCC4CO)Cl	692
+c1cc(ccc1S(=O)(=O)c2ccc(cc2)F)N	0
+c1cc(ccc1S(=O)(=O)c2ccccc2CO)F	41
+O=S(=O)(c1ccc(cc1)N2c3c(-n4c(C)nnc4C(C)C2)ccc(c3)Br)C	2335
+c1cc(ccc1S(=O)(=O)F)N=Nc2ccc(c(Cl)c2)O	725
+c1cc(ccc1S(=O)(=O)N2CCC(C)(C)CC2)NC(c3ccc([N+](=O)[O-])o3)=O	1129
+O=S(=O)(CC)c1cc(c(cc1)O)[N+](=O)[O-]	31
+c1cc(ccc1OCc2ccc3ccccc3c2)S(=O)(=O)NCC(C(=O)OC)N4CCCCC4	22
+C(C)N(CC)CC=Cc1cc(ccc1S(=O)(=O)Nc2c(C(=O)O)c3ccn4c(c3cc2)ccn4)F	1
+O=S(=O)(c1ccc(cc1CC2CCN(CC2)CC)F)Nc3c(c4OCC5CC5c4cc3)C(O)=O	1
+O=S(=O)(N=[N+]=[N-])c1c(cc(cc1)Br)CCC	10162
+O=S(=O)(c1ccc(cc1Cl)Cl)Nc2cc(Cl)c(c(c2)Cl)Oc3cnc4ccc(cc4c3)C(=O)O	1
+c1cc(ccc1F)-n2c3C=C4C(Cc3cn2)(COCC)CN(CC4)S(=O)(=O)c5ccc(Cl)nc5	1027
+O=S(=O)(N1CC2(C(=O)c3ccccn3)C(=Cc4c(cnn4-c5ccc(cc5)F)C2)CC1)c6ccc(Cl)nc6	1027
+O=S(=O)(c1ccc(s1)-c2cc(c(O)nc2C)CC)NCC(O)c3ccccc3	1427
+c1cc(ccc1)N2CCN(CC2)S(=O)(=O)c3sc(cc3)-c4cc(c(O)nc4C)CC	1147
+O=S(=O)(c1ccc2c(c1)CC(C)(C)C(c3cccc(N)c3)N2)C	0
+O=S(=O)(N)c1ccc2NCCc2c1	621
+c1cc(ccn1)N2CCC(CC2)C(=O)NN3CCN(S(=O)(=O)c4cc5c(cc(Cl)cc5)cc4)CC3=O	1038
+Fc1c(F)c(c(F)c(F)c1F)OS(=O)(=O)c2ccc3c(nccc3c2)Cl	681
+c1cc(ccc1-n2c(nc3c(cc(C)nc23)C)CC)CCNC(=O)NS(=O)(=O)c4cc5c(cccc5)cc4	1777
+O=S(=O)(c1cc2sc(nc2cc1)NC(=O)Oc3ccc(cc3)F)C	810
+O=S(=O)(c1ccc2ncnc(Nc3cc(ccc3)C#C)c2c1)n4cc(C=CC(=O)NO)cc4	792
+O=S(=O)(c1ccc2ncnc(Nc3cc(ccc3)C#C)c2c1)n4ccc(C=CC(=O)O)c4	108
+O=S(=O)(c1cccc(-c2c3c(c(C(=O)N)nc2)[nH]c4c3cc(cn4)C)c1)CC	1198
+O=S(=O)(c1cc(ccc1)C(O)=O)NCc2ccccc2	71
+O=S(=O)(Nc1ccc2c(cccc2)c1)c3cc(ccc3)C=CC(NO)=O	2291
+O=S(=O)(c1cccc(c1)C=CC(=O)O)Nc2ccc3c(cccc3)c2	127
+O=S(=O)(Nc1c2c(ccc1)cccc2)c3cc(C=CC(O)=O)ccc3	127
+O=S(=O)(NCc1ccccn1)c2cccc(c2)C=O	39
+CN(C)c1cccc(c1)-c2c(C)sc3nc(cc(NS(=O)(=O)c4cc(ccc4)Cl)c23)C	10163
+O=S(=O)(c1cc2c(cc1)C(=O)CCC2)c3ccccc3	992
+CN(C)CCNS(=O)(=O)c1cc(Nc2cc(nc3c2cccc3)C)ccc1	179
+O=S(=O)(c1cccc(O)c1)N2C(c3ccccc3-c4c2cc(F)cc4)C	5
+[N+](c1cc2c(c(C)c1)nccc2)([O-])=O	4865
+O=S(=O)(c1cc(ccc1)-c2cc(OCC)ccc2)Nc3cc(c(cc3)C(O)=O)O	11
+O=S(=O)(c1cccc(C=CC(=O)OC)c1)Nc2ccc3c(cccc3)c2	69
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)OC	71
+O=S(=O)(c1cc(C=CC(OC)=O)ccc1)Nc2ccccc2OC	69
+O=S(=O)(Nc1cc(nc2sc(c(c12)-c3cc(OC)ccc3)Br)C)c4cc(ccc4)Cl	69
+O=S(=O)(c1cccc(Cl)c1)Nc2c3c(nc(C)c2)sc(C)c3Br	69
+O=S(=O)(Nc1cncc(c1)-c2sc(cc2)-c3cc4c(cc3)C(N(C)C4)=O)c5cccc(Cl)c5	322
+O=S(=O)(c1cccc2c1cccc2)c3n[nH]c4c(OCCCCl)cccc34	1025
+O=S(=O)(n1ccc2c1cccc2N)c3c4ccccc4ccc3	0
+O=S(=O)(c1cccc2c3NC(=O)C(=O)Nc3cc(N)c12)N	0
+O=S(=O)(c1cccc2ccccc12)c3n[nH]c4ccc(OCCCN)cc34	18
+c1cc(ccc1)CCN2CCC(C2)Oc3ccc4[nH]nc(S(=O)(=O)c5cccc6ccccc56)c4c3	61
+c12c(cccc1)C(=O)N(C2=O)OCCCOc3cc(C)cc(c3)OS(=O)(=O)c4cccc5cnccc45	10164
+O=S(=O)(NCC1=CC(C(=C(C(=O)O)N1C)OCc2ccccc2)=O)c3ccccc3Cl	10165
+O=S(=O)(c1ccccc1)Cc2c(ccc(c2)OCCOS(=O)(=O)c3ccc(cc3)C)[N+](=O)[O-]	36
+c1ccccc1S(=O)(=O)Cc2cc(ccc2N)OCCOS(=O)(=O)c3ccc(cc3)C	0
+c1cc(ccc1)S(=O)(=O)Cc2c(C(=O)OCC)c(c(cc2)Br)O	5
+O=S(=O)(Cc1c(c(c(Br)cc1)OC)C(OC)=O)c2ccccc2	10166
+c1cc(ccc1OC)-c2ccc3c(F)c(OC)ccc3c2	4408
+c1cc(ccc1-c2c(C(=O)O)c3cc(Br)c(cc3o2)N(C)S(=O)(=O)c4ccccc4)F	1
+c1ccccc1S(=O)(=O)NC2CNc3c(C2)cccc3	15
+c1cc(ccc1)S(=O)(=O)NCC=2OC(CO)=C(OCc3ccccc3)C(C=2)=O	3130
+c1ccccc1-c2cc(C(=O)OCC)c(NS(=O)(=O)c3ccccc3)s2	10167
+O=S(=O)(c1ccccc1)Nc2cc(ccc2Cl)-c3[nH]c4ccccc4c3CC(=O)O	4
+c1ccccc1S(=O)(=O)Nc2ccc(c(N)c2)NCC3CCCCC3	0
+O=S(=O)(c1ccc(c([N+]([O-])=O)c1)O)c2ccccc2	31
+O=S(=O)(c1ccccc1)c2ccc3c(c2)OCCN3	15
+c1cc(ccc1)S(=O)(=O)c2cc3NCCOc3cc2	15
+c1cnc(o1)-c2[nH]c3ccc(Cl)nc3c2	3131
+c12[nH]c(C)cc1cc(cn2)OC	1017
+O=S(=O)(c1ccccc1)n2c(c(c3cc(Br)cnc23)C(OC)=O)CN(CC#N)S(=O)(=O)c4ccc(cc4)C	10168
+c1ccccc1S(=O)(=O)n2c3cnc(c(O)c3c4c2ncc(Br)c4)C#N	10169
+O=S(=O)(c1ccccc1)n2c(cc(c2)C=O)Br	200
+c1cc(ccc1)S(=O)(=O)n2cc(-c3ccc(c(c3)OC)OC)c4ccccc24	550
+c1c(cc2c(c1)[nH]c3CCN(c4c(ccnc4)C)C(=O)c23)F	741
+c1cc(ccc1N)C(N2CC(Nc3nc(c(C#N)cn3)-c4c5ccccc5[nH]c4)CC2)=O	741
+O=S(=O)(n1c2c(c3c1ccc(C=C[N+]([O-])=O)c3)cc(cn2)Cl)c4ccccc4	417
+C1CC(CCN1CC(F)F)Oc2c3c4c([nH]c3cnc2C#N)nccc4	10170
+c1ccccc1S(=O)(=O)n2c3c(ccc(F)c3)c(-c4ccc(nc4)Cl)c2	10171
+c1cc(ccc1)S(=O)(=O)n2cc(cc2)CC[N+]([O-])=O	3068
+C1CC1CN(CC(Nc2ccc(cc2F)-c3c(S(=O)(=O)C)cccc3)=O)C(Nc4ccc(cc4)Cl)=O	10172
+O=S(=O)(c1ccccc1C)NC(c2cc(OC)c(cc2)Cn3ccc4ccc(C=CC(NCCC)=O)cc34)=O	258
+O=S(=O)(c1ccccc1C)NC(c2ccc(Cc3c4c(ccc(c4)C(OC)=O)n(C)c3)c(OC)c2)=O	258
+c1cc(ccc1NCc2cc(oc2C)C(NS(=O)(=O)c3ccccc3C)=O)-c4ccccc4	10173
+O=S(=O)(c1ccccc1C)NC(c2cc(OC)c(cc2)Cn3ccc4ccc(CCC(NCCC)=O)cc34)=O	1320
+O=S(=O)(c1ccccc1C)NC(c2ccc(c(OC)c2)Cc3cn(C)c4c3cc(C(=O)O)cc4)=O	1
+c1cc(ccc1I)N2CC(Cn3nnc(C)c3)OC2=O	10174
+O=S(=O)(c1c(CN2C(C=Cc3cnc(SC)nc23)=O)cccc1)CC	10175
+O=S(=O)(c1ccccc1Cc2c3cc(F)ccc3n(c2C)CC(OC)=O)Nc4ccccc4	69
+c1cc(ccc1)COC=2C(C=C(CNS(=O)(=O)c3ccccc3Cl)OC=2C(=O)O)=O	4970
+O=S(=O)(Nc1c(c2c(cc1)C3C(CO2)C3)C(=O)O)c4c(F)cccc4	1
+O=S(=O)(c1c(F)cccc1)Nc2c(c3OCC4C(CCO4)c3cc2)C(O)=O	1
+O=S(=O)(c1cnc(C=Cc2c(F)cccc2)cc1)c3ccccc3F	914
+O=S(=O)(NC)c1c(cccc1)Nc2nc(ncc2[N+]([O-])=O)Nc3c(ccc(OC)c3)OC	55
+CN(C)S(=O)(=O)c1cccc([N+]([O-])=O)c1O	31
+c1ccccc1-c2c3c([nH]n2)cc(c(c3)NS(=O)(=O)c4c(cccc4)S(=O)(=O)C)C	69
+CN(C)C(=O)C=1C(CNC(COC)C=1)NOCC=C	2862
+n1c(C)cc(nc1NC(NS(=O)(=O)c2ccccc2[Se]C)=O)C	1722
+O=S(=O)(c1ccccn1)N(c2c3c(cc(c2)OCCOC)cc([nH]3)C(=O)O)C	6
+O=S(=O)(c1ncccc1)N(C)c2cc(OCCOC)cc3c2[nH]c(C(NCC(C(OC)OC)SCc4ccccc4)=O)c3	81
+O=S(=O)(Nc1cccc2c1n(COC)c(C(=O)O)c2)c3ccccn3	6
+O=S(=O)(N(c1cccc2cc([nH]c12)C=3SC(CN=3)(CCO)C)C)c4cccs4	10176
+O=S(=O)(c1cccs1)N(c2c3[nH]c(cc3c(C)cc2)C(N)=S)C	742
+O=S(=O)(N(c1c2c(ccc1)cc(C(O)=O)[nH]2)C)c3cccs3	6
+O=S(=O)(c1cnc(Oc2cc(c3c(cc(C(O)=O)[nH]3)c2)OC(COC)COC)cc1)C	1
+O=S(=O)(c1cnc(Oc2cc3cc(C(=S)N)[nH]c3c(OC(COC)COC)c2)cc1)C	742
+O=S(=O)(c1cnc(Oc2cc3cc([nH]c3c(c2)O)C(O)=O)cc1)C	6
+O=S(=O)(c1cnc(Oc2cc3cc(C(OCC)=O)[nH]c3c(O)c2)cc1)C	10177
+O=S(=O)(n1cc(C=O)cc1-c2ccccc2)c3ccc(OC)nc3	1690
+C1CNCCC1C2C(CCOc3ccc(cn3)S(=O)(=O)C)C2	62
+c1cc(ccc1)COc2nccc(-c3nnc(S(=O)(=O)C)n3C)c2	1424
+c1ccccc1COC(=O)N2CCCC(C2)C(C)Nc3nccc(n3)-n4cnc5ccccc45	435
+c1cc(ccc1N2CCN(CC2)C)Nc3nc4N(Cc5ccccc5Br)C(=O)C=Cc4cn3	1359
+O=S(=O)(c1ncc(Oc2cc(cc(-c3[nH]c(cc3)C(=O)O)c2)OC(COC)C)cc1)C	426
+O=S(=O)(c1ncc(Oc2cc(cc(c2)-c3[nH]c(C(=O)NC(C(C)O)CO)cc3)OC(COC)C)cc1)C	81
+O=S(=O)(c1ncc(cc1)Oc2cc(-c3ccc(C=4OCC(C(C)O)N=4)[nH]3)cc(OC(COC)C)c2)C	10178
+O=S(=O)(C)c1ccc(Oc2cc(c3[nH]c(cc3c2)C4=NCC(CCO)S4)OCC)cn1	44
+O=S(=O)(c1ncc(Oc2cc(cc(-c3ccc(C=4OCC(C(C)O)N=4)[nH]3)c2)OC(C)CO)cc1)C	88
+c12nc(ncc1ccnc2Cl)Nc3ccc(cc3C)-c4cnn(C)c4	10179
+c1cc(ccc1C=O)NS(=O)(=O)c2ncccc2	39
+O=S(=O)(C)c1nccn1CC(=O)O	3
+O=S(=O)(NCCn1nc(c(c1CC)Cc2cc(Cl)cc(Cl)c2)CC)c3ncn(C)c3	4146
+c1cc(ccc1C2C(CN(S(=O)(=O)c3cn(C)cn3)C2)OC(=O)NCCCC)F	3936
+O=S(=O)(c1ncn(C)c1)N2CCC(CC2)C3NCCc4cc(ccc34)OC	1218
+c1c(F)c(c(cc1)F)COc2cc(ncn2)OCC#CC	10180
+O=S(=O)(Nc1c(F)cccc1F)c2nn3c(n2)c(ccc3Cl)OC	10181
+O=S(=O)(c1n(C)c(nn1)-c2ccnc(O)c2)C	104
+O=S(=O)(c1ccc(C(=O)OCC)s1)N2CCN(C(c3ccccc3)=O)CC2C	1147
+O=S(=O)(Nc1ccccc1N)c2cc3ccccc3s2	1063
+O=S(=O)(Nc1cc(F)ccc1SCc2ccccc2C(=O)OC)c3cc4c(s3)cccc4	1063
+c1ccccc1-c2cc(C(=O)OCC)c(C)n2S(=O)(=O)c3cccnc3	1072
+n1ccc(C)c2c1cc[nH]2	3131
+O=S(=O)(n1c2c(cc(cc2)CC[N+](=O)[O-])c3cc(cnc13)Cl)c4ccccc4	364
+c1cc(ccc1)C(=O)NCCc2ccc3n(S(=O)(=O)c4ccccc4)c5ncc(cc5c3c2)Cl	93
+O=S(=O)(n1c2c(cc(cc2)CCN)c3cc(cnc13)Cl)c4ccccc4	157
+O=S(=O)(n1ccc2c3c(ccc12)OCCNC3)c4ccccc4	2217
+O=S(=O)(n1ccc2c1cccc2)c3cc(C=O)c(cc3)Br	39
+O=S(=O)(c1ccccc1)n2c(C(O)=O)cc3ccccc23	1
+FC(F)c1cc2c(Cl)c(ccc2[nH]1)C#N	741
+O=S(=O)(n1c2c(cc1)cccc2)c3ccc(Br)c(CO)c3	49
+O=S(=O)(n1c2c(c(Cl)c(cn2)CC=O)cc1)c3ccc(cc3)C	465
+O=S(=O)(c1ccc(cc1)C)n2cc(c3cc(cnc23)-c4ccccc4)-c5ccc(c(c5)F)OC	4971
+O=S(=O)(c1ccc(cc1)C)n2cc(-c3ccc(cc3)C(O)=O)c4cc(cnc24)-c5ccccc5	4971
+c1cc(ccc1S(=O)(=O)n2cc(cc2-c3ccccc3)C=O)OC	1639
+c1ccccc1S(=O)(=O)n2cc(cc2Br)C(O)=O	1
+O=S(=O)(n1c2c(cc1)c(ccc2)C=O)c3sccc3	674
+S(C)(c1cccc(C(=O)OC)c1)(=O)=NC(c2cncc(c2)C#Cc3cccc(c3)NC(=O)c4n(nc(C)c4)C)=O	1240
+C1CC1NC(N2CCS(=O)(=O)C(CC(NOC3OCCCC3)=O)(c4sc(cc4)-c5ccc(cc5)-c6cnco6)CC2)=O	437
+C1C2(CC1)S(=O)(=O)CC(NC2=N)(C)c3cc(ccc3F)[N+]([O-])=O	31
+O=S1(=O)CC(CC1)CO	21
+O=S(=O)(c1ccc(cc1)C)OCC2CS(=O)(=O)CC2	36
+O=S1(=O)CCC(C1)Nc2c([N+](=O)[O-])cc(Cl)cc2F	31
+O=S1(=O)CC(CO)CN1CC	118
+c1ccc2c(c1)C(=O)N(C2=O)CC3CS(=O)(=O)N(C3)CC	332
+C1C(CC12CS(=O)(=O)C2)Nc3ccc(Cl)cc3N	0
+C1C(CC1=O)(c2ccc(cc2)OCc3cc4c(cc3)scc4-c5c(cc(cc5)C6=CCS(=O)(=O)CC6)C)CC(OCC)=O	20
+c1cc(ccc1NC(C2=Cc3cc(ccc3S(=O)(=O)CC2)Br)=O)CN(C4CCOCC4)C	4909
+O=S1(=O)CCC(Nc2c(F)cc(cc2N)Cl)C1	0
+O=S1(=O)CCC(C1)c2c3cc(Br)cc(C(=O)O)c3[nH]c2	6
+O=S1(=O)CCCC(c2c3cc(Br)cc(c3[nH]c2)C(=O)O)C1	6
+O=S1(=O)CCCC(c2c3cc(-c4ccoc4)cc(c3[nH]c2)C(=O)N)C1	1628
+O=S1(=O)CCCN1CC23CC4CC(C(N)(C2)C4)C3	4972
+O=S1(=O)CCCN1c2ccc(cc2)-c3n(CC)c4cc(ccc4c3C#N)O	5
+O=S1(=O)CCCN1c2ccc(cc2)NC(=O)C(CCC)Oc3cccc(-c4noc(n4)C)c3	33
+O=S1(=O)CCCN1c2ccc(cc2)N	0
+O=S1(=O)CCCOc2c1ccc(Oc3cc(cc(C(=O)Nc4cnc(cn4)C)c3)OC(C)CO)c2	88
+Fc1cc(cc(F)c1N2CCS(=O)(=O)CC2)N	0
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)[N+](=O)[O-])F	31
+c1cc(ccc1F)CNC(c2nc(c3cccnc3c2O)N4CCN(CCS4(=O)=O)S(=O)(=O)C)=O	4206
+O=S1(=O)CCc2ccsc12	4973
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCc3cccc(C#N)c3	1904
+O=S1(=O)c2c(n(C)cc2)C(CCN1CCCCl)=NO	1213
+O=S1(=O)N(C2(CCNC(C)C2)CN1)c3cc(F)ccc3	62
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(OC(C)C(O)=O)ccc13)C	3
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(ccc13)OCC(=O)O)C	3
+c1ccccc1N2CCCCN(S2(=O)=O)Cc3c(cc(cc3)Br)F	692
+O=S1(=O)N=C2C(c3ccc4c(ccc(c4)OC)c3)CCCN2CC1	2293
+C1CCC1N2c3c(S(=O)(=O)NC2)cc(Cl)cc3	10182
+c1cc(ccc1)C(=O)Oc2cc3c(cc(Br)cc3)cc2N4S(=O)(=O)NC(C4)=O	1039
+O=S(=O)(Nc1cc(c(N)cc1)S(=O)(=O)N)C	10183
+N1CC(CNS1(=O)=O)c2ccc(c(C=3CCCCC=3)c2)N	989
+O=S1(=O)N(c2ccc(cc2)OC)c3ccccc3CN1CCCCl	4974
+O=S1(=O)c2cc(C#N)ccc2C(=O)c3cc(ccc13)F	274
+c1cc(ccc1S(=O)(=O)Oc2c(cnn2CC)C(c3cc(c4S(=O)(=O)CCC(c4c3C)C)C)=O)C	10184
+O=S1(=O)c2c(C(c3ccccc3)NC(CC)(C1)CCCC)cc(c(CCCO)c2)OC	21
+O=S1(=O)c2c(cc(OC)c(CCC(O)=O)c2)C(c3ccccc3)NC(CC)(C1)CCCC	3
+c1cc(ccc1)C(OC2CCS(=O)(=O)c3c(C)cc(c(C)c23)C(=O)O)=O	279
+O=S1(=O)CCC(=Cc2cc(ccc12)Br)C(=O)O	127
+c1cc(ccc1F)N2CCN(CC2)CCCN3CCC(c4n(C)ccc4S3(=O)=O)=NO	53
+O=S1(=O)N(C)CC(=NO)c2n(ccc12)CCCCN3CCC(CC3)C(=O)c4ccc(cc4)F	53
+C1CCCCC1C2=NS(=O)(=O)c3cc(N)ccc3N2	10185
+c1cc(ccc1CN2C(C(=C(O)C3C4CCC(C23)C4)C5=Nc6c(S(=O)(=O)N5)cc(cc6)I)=O)F	10186
+O=S1(=O)c2ccc(-c3ccc(cc3)N4CCCCC4)cc2C=C(C(=O)O)CC1	127
+O=S1(=O)N(c2ccc(cc2)Cl)C(N(C)c3c1ccc(O)c3)=O	5
+O=S1(=O)c2c(n(cc2)CCCCCl)C(CN1C)=NO	1213
+O=S(=O)(N)c1ccccc1SCCOC	10187
+O=S(=O)(Cl)c1cc(CC)c(Cl)cc1	4365
+c1ccccc1Oc2ccc(C(O)=O)nc2	10188
+c1cc(ccc1)CNCCCNc2cc(c(C)cc2[N+](=O)[O-])C	42
+c1(N)c(ccc(c1)O)NC(=O)COc2cc(ccc2)OCC	0
+[N+](=O)(c1cc(cc([N+](=O)[O-])c1)SCCCCN2C(c3c(cccc3)C2=O)=O)[O-]	636
+O(c1cc2nc[nH]c2cc1)CCCCCCCCCCCCBr	3132
+c1cc(c(N)c(c1OC)[N+]([O-])=O)Br	0
+c1(c(CC(=O)OCC)c2c(cccc2)c(N)c1)[N+](=O)[O-]	0
+C(c1c(cc(OC)c(c1)N)OC)(CCCCCl)=O	0
+c1c(c(OC)cc(c1C)C)N	0
+c1c([N+]([O-])=O)cc(cc1C=C)[N+]([O-])=O	10189
+c1cc(c(c(F)c1F)COc2cc(Nc3nc(Cl)ccc3N)c(Cl)cc2OC)OC	13
+N#Cc1ncccc1Cl	10190
+c1(nn2c(cccc2c1[N+]([O-])=O)Br)CC	10191
+c1ccccc1C(=O)Nc2n[nH]c3c(F)cc(cc23)[N+]([O-])=O	2166
+O=Cc1c(ccc(C)n1)-c2oc(cn2)CC	1436
+c12-c3c(cccc3)C(c1cccc2)COC(=O)NC(c4nc(C=O)c5c(cccc5Cl)c4)C	1436
+c12c(c(ccc1C=CC(=O)N2C)OC)CC=O	465
+c1(C=O)cc2c(Cl)ccnc2cc1	674
+c12ncc(OC)cc1N(C(=O)C=C2)CC=O	465
+c1c(Br)cc2c(C(N(CC=O)CC2)=O)c1	465
+c1cc(ccc1F)-c2c(COc3ccc(C(=O)OC)cn3)c(on2)C=O	4975
+c1cc(ccc1-c2c(COc3ccc(C(=O)OC)cn3)c(on2)C=O)Cl	4975
+c1cc(ccc1)COc2c(ccc(C=O)n2)[N+]([O-])=O	1436
+c1cc(ccc1-c2noc3-c4c(cc(C=O)cc4)CCc23)CCC	674
+c1cc(ccc1-c2oc3c(cc(c(N(c4ccc(C=O)c(Cl)c4)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	674
+c1cc(ccc1Cl)C=2N(C(N(N=2)CC(OC)=O)=O)CC=O	465
+c1cc(ccc1)CC2COC(=O)N2C(=O)C3C(CC(=O)C3)c4ccc(cc4)Cl	10192
+c1ccccc1COC(=O)NC2C(CC=O)N(C2=O)C(=C(C)C)C(OC)=O	465
+c1ccccc1COc2c3nc(cc(C=O)c3ccc2)C	674
+c1nc(c2n1-c3c(c(ccc3)CC=O)OC2)C(=O)OCC	465
+c1ncn(CC(CC=O)c2ccc(c(c2)Cl)Cl)c1	465
+c1c2c(c(Cl)cc(n2)C=O)ccc1OC	501
+O=Cc1nc2c(cc1)cc(F)c(OCC)c2	501
+O=Cc1nc2c(cc1)cc([N+]([O-])=O)cc2	501
+Cc1cccc(C)c1-c2nc(c(cc2)F)C=O	501
+O(COC)c1ccc2ccc(nc2c1C#N)C=O	501
+c1(OC)c(OC)c(cc2nc(C=O)ccc12)OC	501
+c1(ncccc1[N+](=O)[O-])C=O	501
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5c(c(I)n4)c(C=O)nc(Cl)c5	501
+c1cc2ccc(c(c2nc1C=O)[N+](=O)[O-])OCOC	501
+c1cc(ccc1)-c2nnc3cccc(c3c2)C=O	3133
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(c(nc(Cl)c5)C=O)c(N6CCOCC6)n4	501
+c1(C=O)ccc2ncccc2c1	3133
+O=Cc1nc2cccnc2cc1	501
+O=Cc1ccnc2ccc(cc12)C#N	3133
+c1cc(c(C)nc1)[N+](=O)[O-]	10193
+c1cc(ccc1CN2c3c(C(N(CC(c4cc(C)c(OC)cc4)=O)C2=O)=O)cc(s3)CC)-c5c(C#N)cccc5	10194
+c1([N+]([O-])=O)c(OC)c(cc(C#N)c1)C(=C)C	4166
+C1CC1c2cc(cc3cc[nH]c23)[N+]([O-])=O	4976
+C1CC1c2c(C(OC)=O)c(F)ccc2	365
+C1CC1c2c3c(c(F)cc2)c(C(=O)OC)c[nH]3	4976
+C1CC1c2nc(C(=O)OCC)ccc2	2222
+C1CC1c2cc(C(=O)OC)c(Cl)nc2	940
+C1CC1c2ccc3c(cnnc3O)c2	365
+C1CC1c2c(cc(c(CC(=O)OC)c2)C)C	365
+C1CC1c2cnn(C)c2-c3csc(C(=O)OC)c3	10195
+C1CC1c2c(c(cnc2)Br)Cl	940
+C1CC1c2c(Nc3ccccc3C(NOC)=O)cc(Cl)nc2	940
+c1c(F)c(c(cc1C2CC2)F)[N+](=O)[O-]	365
+C1CC1c2ccc(c(c2)C)C(OC)=O	365
+C1CC1c2ccc(C(=O)OC)c(c2)F	365
+C1CC1c2cc(c(C(=O)OC)cc2)O	365
+C1CC1c2ccc(F)c(c2)[N+]([O-])=O	365
+C1CC1c2cc(c(cc2)N)[N+](=O)[O-]	365
+C1CC1c2ccc3c(c2)ncs3	10196
+C1CC1c2cc(CO)c(OCC)cc2-c3ccc(cc3)F	10197
+c1cc(ccc1-c2c(F)c(OC(C)C)c(cc2C3CC3)C=O)F	365
+C1CC1c2ccc(cc2)C=O	365
+c1cc(ccc1-c2c(C3CC3)nccn2)CC(OC)=O	10198
+C1CC1c2cccc(N3C(=O)C(=C(N=C3C)CCCC)Cc4ccc(cc4)-c5ccccc5C#N)c2	365
+c1cc(ccc1F)N2N(C(=C(C3CC3)C2=O)C)C	10199
+C1CC1c2cc(Cl)ccc2CCNC(=O)c3ccc(cc3)Oc4c(cc5c(OCCC5C(OCC)=O)c4)Cl	365
+C1CC1c2cnc(cc2)N	940
+C1CC1c2cccc(N3CCn4c(cc(n4)OCc5ccccc5)C3=O)n2	2222
+c1cc(cc(c1OC)C=2CCCC=2)F	989
+c1c(nc(C=2CCCCC=2)c(F)c1)C(=O)O	3061
+c1cc(ccc1C=Cc2cc(-n3nc(CC)c(C(OC)=O)c3CC)ccc2)Cl	10200
+c1ccccc1C=Cc2nc(nc(c2)Cl)N	4679
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)(c3cc4c(nccc4C=Cc5ccccc5)cc3)O	10201
+CC(C)Cc1ccc(cc1C#N)[N+]([O-])=O	4868
+OB(O)CCCCn1cnc2c(Cl)nc(N)nc12	637
+c1(c(C)cc(C)cc1OC)-c2n3nc(CC)c(c3c(cc2)OC)[N+](=O)[O-]	4977
+c1(-c2c(Cl)cc(OC)cc2)cccc3c(c(nn13)CC)[N+]([O-])=O	4977
+[N+]([O-])(c1c(cccc1)-c2cc(OC)c(cc2)OC)=O	750
+c1cc(ccc1OCCOCCCC)-c2cc3C=C(C(=O)OC)CCCNc3cc2	750
+c1cc(ccc1OCCOCCCC)-c2cc3C=C(CCNc3cc2)C(=O)OC	750
+c1(C=O)c(ccc2cc(-c3cc(ccc3)OC)ccc12)OC	750
+c1cc(-c2cc(ccc2)CC(N)=O)cc(c1)OC	10202
+c1cc(ccc1S(=O)(=O)OCC2COc3c(c(ccc3)-c4ccc(cc4C)OC)O2)C	11
+Cc1oc(-c2ccc(OC)cc2C)cc1C=O	1242
+c12c(cc(-c3cc(ccc3C)F)cc1)cnc(N)c2	11
+c1cccc(c1C)-c2n3c(c(C)n2)c(nc4ccc(F)cc34)C	4978
+Cc1ccccc1-c2c(F)cc(cc2)OC	11
+c1(cc2c(ccc(-c3ccccc3C)c2)nc1Cl)CO	11
+Cc1ccccc1-c2cc3ccc(N)nc3cc2	11
+Cc1ccccc1-c2cc(ccc2)C(=O)N3Cc4cccn4Cc5c3cccc5	11
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OCC)-c4onc(C)c4Nc5nc(-c6ccccc6C)ccc5	119
+c1cc(ccc1-c2c(cccc2)C)C(Nc3ccc4nc(sc4c3)N(C)CCN(C)C)=O	134
+c1cc(ccc1-c2c(cccc2)C)-c3oc(C)c(CCOc4ccc(cc4)OC(C)(C)C(OCC)=O)n3	11
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(c(F)cc(c3)-c4c(cccc4)C)O2)C	11
+Cc1c(cccc1)-c2ncnc(Cl)c2[N+](=O)[O-]	198
+c1cc(ccc1)C2CCc3c4N2C(Nc4ccc3-c5c(C)onc5C)=O	10203
+C(=O)c1c(-c2c(ccc(c2)CC(OC)=O)OC)cc(cc1)OC	11
+O=Cc1ccc(OC)cc1-c2cnc(cc2)C(NCCC(OCC)=O)=O	89
+C(C)c1c(-c2c3N(C)C(=O)Nc3ccc2)cccc1	11
+c1c(-c2c(Cl)cc(c(N)c2)N)c(Cl)c(Cl)cc1	134
+c1cc(Cl)c(cc1Cl)-c2n3c(c(C)n2)c(nc4ccc(F)cc34)C	4978
+c1cc(ccc1)COc2nc3c(ncn3-c4c(Cl)cccc4Cl)cc2	10204
+Clc1c(cccn1)-c2ccnc(Cl)n2	10205
+COc1c(F)c(ccc1Br)-c2ncc(nc2)N	356
+n1cc(cnc1-c2ccc(c(F)c2F)OCc3ccccc3)Br	2294
+Clc1ccc(c(F)c1)-c2c(F)cncc2C(OC)=O	699
+Clc1cc(c(cc1)-c2cc(c(cc2)CC)[N+]([O-])=O)F	11
+n1cc(cnc1N)-c2ccc(cc2F)Cl	537
+c1(C)nc(Cl)nc(c1)-c2cc(OCC)ccc2F	198
+c1cc(ccc1)COc2ccc(c(c2F)-c3c(F)ccc(n3)C(=O)OC)F	119
+c1ccccc1COC(N2CCN(CC2C)Cc3cccc(-c4c(ccc(C#N)c4)F)c3)=O	11
+c1cc(ccc1-c2nc3ccc(-c4cc(ccc4F)C=O)cn3c2)Cl	89
+Nc1c(c(F)c(Cl)nc1)-c2cccnc2F	3103
+c1ccccc1C2CC(c3c(cc(c(-c4c(nccc4)F)c3)F)O2)=O	305
+c12c(cccc1)C(=O)N(C2=O)CCCCc3c4c5c(cccc5)nc(N)c4nn3CC	10206
+c1cc(N)c(cc1)-c2ncc(Cn3ccnc3)cc2	119
+c1ccc(c(c1)-n2nnnc2-c3c(-c4ccccc4N)cccc3)F	10207
+c1cc(c(cc1)-c2c(C)n(nc2C#N)CCCC)N	800
+n1(nc(c(-c2c(N)cccc2)c1C)C#N)C	800
+c1(Nc2cccc(CS(=NC(OCC)=O)(C)=O)c2)ncnc(n1)-c3cccc(Cl)c3OC	1582
+c1cc(ccc1-c2cc(c(F)cc2OC)F)O	134
+c1(ccc(cc1-c2c(cccc2)I)Br)OC	134
+c1(-c2c(cccc2)SC)nc3cc(cc(c3c(c1C)Cl)F)F	691
+c1cc(ccc1S(=O)(=O)OCC2Oc3c(cccc3C2)-c4c(c(ccc4)C)C)C	11
+COc1c(c(ccc1)O)F	2295
+c1ncncc1C2(c3c(c(ccc3)F)C(N)=N2)c4ccc(F)c(c4)-c5c(F)c(ccc5)OC	10208
+c1cc(ccc1-n2c(Cl)cc3c2c(O)c(c(O)n3)C#N)-c4cccc(OC)c4O	11
+c1(c(ccc(C(=O)O)c1)-c2nc3c(cc(OC)cc3)cc2)Cl	691
+c12c(cc(cc1)-c3cnc(F)cc3C)cnc(N)c2	305
+c1ccccc1CSc2ccc3c(c(nnc3c2)Br)-c4c(cc(c(c4)Cl)-c5cc(ccc5)F)OC	10209
+c1cc(ccc1OC)-c2cscc2-c3c(cc(cc3)C#N)C	1074
+Cc1ccc([N+]([O-])=O)cc1-c2ccc(C(=O)CC)cc2C	11
+Clc1ccc(c(Cl)c1)-c2cccc3c(n(C)nc23)C(=O)OC	1009
+Clc1ccc(c(Cl)c1)-c2cc(ccc2[N+]([O-])=O)F	11
+c1cc(ccc1)COc2nccc(-c3ccc(cc3Cl)Cl)c2[N+](=O)[O-]	699
+c1cc(ccc1)COC(N2CC(O)C(Nc3nc(CC)c(-c4ccc(OC)cc4Cl)nc3CC)C2)=O	356
+c1c(OC)ccc(-c2cnc(c(Br)c2CC)N)c1F	89
+c1cc(ccc1-c2sc(-c3ccc(cc3F)OC)cc2)C(O)=O	268
+c1cc(ccc1CO)Nc2cc(-c3c(ccc(Cl)c3)OCC)nc(N)n2	198
+c1cc(c(cc1)-c2cc(F)ccc2F)N	11
+c12cc3c(CC(C)C3=O)c(-c4cc(C)ccc4C)c1CCC2	11
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(O2)c(-c4c(C)ccc(C)c4)ccc3)C	11
+O(CC)C(c1cccc(-c2ccccc2-c3c(OC)ccc(Br)c3)n1)=O	119
+c1cccc(-c2ccc(CO)c(C)c2)c1Cl	11
+c1cc(ccc1Cl)C2=CC(=O)N(Cc3ccccc3)N=C2c4c(Cl)cccc4	4979
+c1cc(ccc1N2CCOc3nc(nc(N)c3C2=O)C)-c4c(Cl)cccc4	11
+c1cc(ccc1C(OCC)=O)-c2ccccc2Cl	11
+O=S(=O)(OCC1Oc2c(-c3ccccc3Cl)cc(cc2CC1)F)c4ccc(cc4)C	11
+c1cc(c(O)cc1)-c2ccccc2-c3nnnn3-c4c(F)cccc4	134
+n1c2c(c(Cl)cc1-c3ccccc3O)cccc2	691
+c1cc(ccc1-n2ccc3NC(=O)NC(c23)=O)-c4ccccc4O	11
+C1COCCN1c2cc(nc(-c3c(O)cccc3)c2)OCc4ccc(cc4)OC	140
+c1cccc(-c2ccc(cn2)C(=O)OC)c1O	140
+OB(O)c1c(-c2cc(ccc2)CC(N)=O)cccc1OC	3034
+c1cccc(-c2cc(cc(c2)C(=O)O)[N+]([O-])=O)c1OC	134
+c1cc(ccc1Cc2c(cccc2)OC)Br	10210
+c1cc(ccc1-c2ccccc2OC)S(=O)(=O)N3c4ccccc4Cn5c(C3)ccc5C(=O)NCc6cnccc6	11
+c1cc(ccc1OC)-c2c(-c3ccccc3OC)oc4ncnc(NCCCCCC(=O)OC)c24	1242
+c1cccc(-c2cnc(OCC(Nc3c(csc3)C(OC)=O)=O)cc2)c1OC	89
+c1cc(ccc1-c2c(cccc2OC)F)-n3ccc4NC(=O)NC(=O)c34	11
+Cc1ccccc1-c2c(Cl)cccc2OC	11
+c1cccc(-c2c(Cl)cccc2OC)c1Cl	11
+c1c(C)c(cnc1)-c2c(F)c(ncc2)C#N	3103
+c1cc(nc(-c2cc(ncc2Cl)F)c1)NCc3cc(ccc3)F	1238
+c1c(c(OC)nc(OC)n1)-c2cc3c(c(Cl)c(cn3)C(N)=O)cc2	10211
+O1CCOC1c2cnc(c(-c3nc(SC)nc(n3)C)c2)F	2234
+c1(c(nccc1)OC)-c2cc(-c3[nH]c(N)nc3)ccc2	305
+c1cc(ccc1)Oc2c(-c3c(nccc3)OC)cc(cc2)C#N	305
+O=C1c2c(cccc2)C(=O)N1C(c3ccc(cc3)-c4c(OC)nccc4)C	305
+C1CN(CCO1)c2cc(CNCc3ccccc3)nc(n2)-c4cccc5[nH]ccc45	3967
+c1cc(ccc1N2C(=NNC2=O)CC3CN(CC3)C(=O)C4CC4)-c5c6cc[nH]c6ccc5	4980
+n1c2cc(-c3c4cc[nH]c4ccc3)cc([N+]([O-])=O)c2cn1C5CCCCO5	10212
+c1cc(ccc1CC=2C(=O)N(C(C)=NC=2CCCC)c3cc(ccc3)Br)-c4ccccc4C#N	1778
+c1(cccc(c1)-c2ncccc2)Br	119
+c1c(cc(c(C)c1)-c2cc(Cl)nc(n2)N)Br	198
+c1(ccc(C=O)c(O)c1)-c2cccc(C#N)c2	11
+Cc1ccc(cc1-c2cc(ccc2)C#N)-c3nc4ccccc4o3	11
+c1(cc(ccc1)C#N)-c2ccc(cn2)C(=O)OC	140
+OB(O)c1cc(N)cc(c1)C(O)=O	0
+c1c(c(cc(-c2nc3c(ncnc3cc2)O)c1)C)OC	691
+O=Cc1cc(-c2ccnc(Cl)n2)ccc1F	198
+c1cc(ccc1-c2cc(CC)c(OC)cc2)C(=O)C	11
+c1(c(nccc1-c2cc(Cl)c(C(=O)OC)cc2)CC)C#Cc3cnc(cc3)N	699
+O=Cc1ccc(-c2n3c(nc2)ccc(NCCCC)n3)cc1F	1414
+n1cccnc1Nc2nc(cs2)-c3cn(Cc4ccc(cc4)OC)nc3-c5cc(ccc5OC)F	1624
+c1ccccc1COc2c(C=O)cc(cc2-c3c(ccc(F)c3)OC)C(OC)=O	11
+c1ccccc1CN2C(=O)C=C(C(c3ccccc3)=N2)C(n4nc(c5c(N)ncnc45)-c6cc(F)cc(O)c6)C	920
+c1(-n2c(cc(C)n2)C)nc(cc(NC(C)=O)n1)-c3cc(F)cc(O)c3	198
+c1c(OC)c(c(cc1-c2ccccc2C(=O)OC)OC)OC	11
+COc1cc(cc(OC)c1OC)-c2cc(ncn2)C	198
+O(c1cc(cc(OC)c1)-c2cc(C=O)c(cc2F)[N+](=O)[O-])C	11
+c1(cc(cc(OC)c1)-c2c(Cl)cc3c(c2)cnc(Cl)n3)OC	11
+COc1cc(cc(OC)c1)-c2cc3cnc(nc3cc2OC)Cl	11
+c12cc(-c3cc(ccc3)OC)cc(C)c1nc(nc2NC)-c4cnccc4	11
+Fc1c(C)ccc(c1)-c2cc(ccc2)OC	11
+c1cc(ccc1-c2c(sc(Cc3c(-c4cccc(OC)c4)cccc3)n2)CC(O)=O)F	11
+c1cc(ccc1OCc2c(oc(c2)C(=O)O)C)-c3cc(ccc3)OC	134
+c1ccccc1-n2cnc3cc(C#N)cc(-c4cccc(c4)OC)c23	10213
+c1(ccc(-c2cc(OC)ccc2F)c(Cl)n1)C(=O)OC	89
+Fc1c(Cl)ccc(c1)-c2ccc(c(CC(O)=O)c2)C	11
+C(O)Cc1cc(c(Oc2cc(F)c(Cl)cc2)cc1)F	472
+CC(C)(c1ccc(cc1)Cl)C=C(Cc2ccc(c(c2)Oc3ccccc3)F)F	10214
+c1cc(ccn1)-c2cc(c(OC)cc2)C=O	835
+c1cc(ccc1-c2c(C(NC)=O)c3cc(-c4cc(c(F)cc4)C(O)=O)c(Cl)nc3o2)F	89
+Clc1nc(nc(-c2ccc(c(OC)c2)OC)c1)N	198
+O(C)c1c(OC)ccc(c1)-c2cc(c(cc2)C#N)F	11
+c1cc(ccc1C(C(=O)Nc2c(nccc2)-c3ccc(OC)c(OC)c3)O)C	140
+c1(-c2ccc(OC)c(OC)c2)sc3nccn3n1	4944
+c1(cc(c(c(-c2c(N)nccn2)c1)Cl)Cl)Cl	696
+c1cc(ccc1)-c2nc(nnc2-c3cc(OC)cc(Cl)c3)N	3134
+OB(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1	77
+c1(cc(cc(c1OC)-c2cc(C(=O)O)ccc2)F)[N+]([O-])=O	11
+O=C(O)c1cccc(-c2cccc(C(=O)OC)c2)c1	11
+c1c(C(=O)O)cccc1-c2c3c(ccc2N)cccc3	11
+n1c(c2c(cccc2)c(n1)O)Cc3cc(c(cc3)F)-c4cccc(c4)C(O)=O	11
+c1cc(ccc1-c2nc3n(cc(cc3)-c4cc(C(O)=O)ccc4)c2C(=O)NC)F	89
+c1(C(c2ccccc2C)CC(c3cc(C)ncc3)=O)cccc(-c4cccc(c4)C(O)=O)c1	11
+c1(CO)cccc(-c2nc(C(Nc3c(c(ncc3C)C(=O)OCC)C)=O)c(cc2)C)c1	140
+n1c(ccc(-c2cc(CO)ccc2)c1)N	89
+c1nc(ncc1)-c2cc(CO)ccc2	2294
+c1cc(cc(c1)F)-n2c(C(OC)=O)c(c3ccccc23)C#N	1194
+c1(OC)cc(cc(-c2cc(F)ccc2)c1)C(=O)OC	11
+c1cc(-n2c(cc3c(Cl)cccc23)C(N(C)OC)=O)cc(c1)F	1194
+c1c(OC)ccc2c(ccnc12)OCc3nnc4n3nc(-c5cc(F)ccc5)cc4	519
+O=Cc1c(F)ccc(c1)-c2cc(ccc2)F	11
+c1(c(ccc(c1)-c2cc(ccc2)F)F)C(=O)O	11
+c1cc(cc(c1)-c2ccc3CCCC(=O)c3c2)F	11
+C1(CCc2c1cc(cc2)-c3cc(ccc3)F)=O	11
+c1cc(ccc1)S(=O)(=O)n2ccc3c(c(cnc23)-c4cc(F)ccc4)Cl	89
+c1cc(ccc1-c2cc(F)ccc2)C(CCC(OC)=O)=O	11
+C1c2c(NC(=O)C1)ccc(c2)-c3cc(ccc3)F	11
+n1cc(-c2cc(F)ccc2)nc(c1)N	696
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4c3cc(-c5cc(ccc5CO)F)cc4)N	134
+Clc1cc(c(cc1)F)-c2cncc(c2)NC(C(=O)N)c3c(cccc3)Cl	89
+Clc1ccc(c(c1)-c2cc3C4(c5cc(cnc5Oc3cc2)OCC(=O)C)N=C(N)OC4)F	11
+c1cc(ccc1C)C(C(N)=O)Nc2cncc(-c3c(F)ccc(Cl)c3)c2	89
+c1c(I)cc(c(F)c1)O	2295
+c1ccccc1COc2ccc(c(C=O)c2)-c3cc(ccc3OC)C(C)C	11
+c1(c(cc(Br)c(OC)c1)OC)-c2cc(ccc2OC)OC	11
+c1(cc(c(cc1)OC)-c2cccc3c(c(C(NCCCC)=O)nnc23)N)OC	1009
+O=S(=O)(C)c1cncc(-c2ccc3n(cc(n3)NC(C)=O)n2)c1	2512
+O=S(=O)(C)c1cncc(-c2c3c(n(n2)C)nc(nc3)N)c1	10215
+c1c(C)cc(C)c(-c2cc(ncc2Cl)Cl)n1	1238
+C(c1c(cccc1)F)(=O)Nc2nc(c(cc2)-c3cc(nn3C)-c4ccco4)N	10216
+C(N1C(c2c(C(=C1)C(=O)OC)cc(c(c2)OC)O)=O)C	2295
+CC1(C)OC(Nc2ccc(cc12)-c3cc(cc(c3)F)Br)=O	11
+c1cc(ccc1CC=2C(=O)N(C(C)=NC=2CCCC)c3ccc4OCCc4c3)-c5ccccc5C#N	1778
+c12cc(ccc1CC(=O)CC2)-c3ccc4OCOc4c3	11
+c1(F)cc(cc(F)c1)-c2cc(nc3c(c(nn23)C)-c4ccc5OCOc5c4)N6CCCC6CO	3003
+c1cc(ccc1CC#N)-n2c3c(nc2)cnc4c3cc(cc4)-c5ccc6OCOc6c5	11
+c1cc(ccc1COc2cc(-c3ccc4OCOc4c3)cc(Nc5cccnc5)c2)OC	11
+c1c(cc2ccc(Br)cc2c1)-c3cc4ccccc4c5ccccc35	11
+c1cc(ccc1Br)-c2c3ccccc3c4c(cccc4)c2	134
+c1ccccc1C(CC)C(Nc2ccc(-c3ccc4cc(OCC)ccc4c3)c(C(N)=O)c2)=O	134
+c1cc(ccc1)-c2nc(nnc2-c3cc4ccoc4cc3)N	3134
+c1cc(ccc1-c2cc3c([nH]cc3)cc2)C#N	11
+c1cc(ccc1-c2ccc(nc2F)-c3ccc(cc3)CCCCCCCCC)CCCCC	305
+c1cc(ccc1NC#N)-c2ccc(C#N)n2C	3730
+c1cc(ccc1Br)-c2ccc(C(C)=O)s2	1373
+C(c1sc(cc1)-c2c3nc(ccc3cnc2)C(NCc4occc4)=O)(=O)O	10217
+Cc1cc(c(-c2c3c([nH]cc3)ncc2)cc1)C	3032
+c1([N+]([O-])=O)cccc(-c2ccc(C)cc2C)c1C(=O)OC	667
+C1C(CC1)c2ccc(-c3cc4[nH]cnc4nc3)c(c2OC)F	1151
+c1(cc2c(cc1OC)n(-c3nc(-c4cc(Cl)c(Cl)cc4)c(C(OC)=O)s3)cn2)OC	10218
+c1ccccc1[Si](c2ccccc2)(OCCC(=C)c3ccc(c(c3)Cl)Cl)C(C)(C)C	10219
+c1cc(ccc1C(Nc2c(Cl)ccc(B(O)O)c2)=O)OCc3ccccn3	67
+c1ccccc1NC(c2cc(ccc2F)-c3c(ncn3C)-c4nccc(C#N)c4)=O	1234
+c1(cc(-c2nc(CC)[nH]c2)ccc1F)C	1234
+C(CCCCC)Oc1c(F)c(-c2ncccc2)ccc1F	119
+n1cccc(C(=O)OC)c1-c2ccc(cc2F)F	140
+O=Cc1ccc(-c2ccc(cc2F)F)c(F)c1F	11
+Fc1cc(ccc1-c2c(C(C)=O)cccc2)F	11
+c1c(ccc(-c2nnc(N)nc2)c1F)F	3134
+c1c(ccc(c1F)-c2cncc3c2cc(cn3)C(=O)N)F	1151
+n1c(-c2cc(c(cc2)OC)F)c(C)ccc1	119
+c1c(OC)c(cc(-c2c3cc(NC(C)=O)cnc3n(C)n2)c1)F	4981
+c1cc(ccc1)N(c2cc(nn3c2ncc3)-c4cc(c(cc4)F)C#N)Cc5ccc(cc5)OC	519
+c1cc(ccc1F)C(C)(C)CNc2nnc(-c3ccc(c(c3)C#N)F)cc2	519
+c1cc(ccc1F)C(C)(C)CNc2ncc(cn2)-c3cc(C#N)c(F)cc3	537
+CC(C)COc1c(cc(-c2c(Br)c(c(C(OC)=O)s2)F)cc1)C#N	268
+c1c(-c2cc(C)c(cc2)C)ncc(N)n1	356
+N#Cc1c(cc(-c2cccc3c2CCCC3=O)cc1)F	11
+c1cc(ccc1)Nc2nc(N)nc(c2)-c3ccc(c(c3)F)C#N	198
+c1nc(ncc1-c2c(F)c(c(CCCCCCCC)cc2)F)-c3ccc(OCCCCCC)nc3	537
+c1c(c(c(c(O)c1)F)F)CCCCCCCCC	2295
+O1CCOC1CCc2ccc(cc2)-c3c(F)c(c(cc3)OCC)F	11
+c1cc(ccc1CCCC)-c2ccc(cc2)-c3c(F)c(c(C#Cc4ccc(cc4)CCCC)cc3)CCC	134
+c1cc(ccc1CCCCCCCCC)-c2cccc(F)n2	119
+c1cc(ccc1NS(=O)(=O)C)-c2nnc(Cl)cc2	519
+c1cc(ccc1-c2cc(F)ccc2)O	134
+c1cc(ccc1O)-c2cc3ccc(nc3cc2)C(=O)OCC	11
+c1cc(ccc1-c2nc(C(=O)OC)ccc2)O	119
+c1cc(ccc1O)-c2cc3ccc(N)cc3cc2	11
+c1cc(ccc1O)-c2nc(Cl)cnc2	696
+c1cc(ccc1O)-c2c(c(-c3c(cc(cc3)OC)F)cnc2N)CC	89
+c1cc(ccc1O)-c2cc3C(=O)C=C(Oc3cc2)C(OCC)=O	134
+c1cc(ccc1O)-c2cc3nccc(Oc4ccc([N+]([O-])=O)cc4F)c3s2	4982
+c1cc(ccc1OCc2cn3c(cc2)nc(n3)-c4ccc(cc4)O)C(CC(=O)OCC)C#CC	4983
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(nc4)c(C)c(cc5)-c6ccc(cc6)O	495
+c1cc(ccc1-c2ccc(C#N)cn2)O	119
+c1cc(ccc1-c2c3n(nc2C)c(cc(N4CCCC4CO)n3)-c5cc(F)c(F)cc5)OC	3003
+c1cc(ccc1-c2ccccc2[N+]([O-])=O)OC	134
+c1cc(ccc1-c2cnc(C(OC)=O)cc2C)OC	89
+c1cc(ccc1OC)-c2cc(ccc2N)CCC	134
+c1cc(ccc1-c2cc(ccc2OC)C=O)OC	11
+c1cc(ccc1OC)-c2sc(C(=O)OC)c(C)c2C	268
+c1cc(ccc1-c2cn(-c3ccnc(SC)n3)c4c2ccc(-c5cc(ccc5)[N+]([O-])=O)c4)OC	550
+c1cc(ccc1-c2c3ccc(-c4cc(ccc4)[N+]([O-])=O)cc3n(-c5cc(NC)ncn5)c2)OC	550
+c1cc(ccc1-c2ccc3c(cc(C(=O)OCC)[nH]3)c2)OC	11
+c1cc(ccc1OC)-c2ccc(c(F)c2)Br	134
+c1cc(ccc1OC)-c2ccc3n(c(c(c3c2)C)-c4ccccc4)C	11
+c1cc(ccc1-c2ccc3c(c2)c(CCCCC)c(n3C)-c4ccccc4)OC	11
+c1cc(ccc1-c2c3c(ccc2)n(c(c3C)-c4ccccc4)Cc5ccccc5)OC	495
+c1cc(ccc1OC)-c2cc3c(n(Cc4ccccc4)c(C)c3C)cc2	11
+c1cc(ccc1OC)N2C(C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)N=C2CC)=O	1778
+C1CC1C(=O)N2CC(CC2)CC3=NNC(N3c4ccc(cc4)-c5ccc(cc5)OC)=O	11
+c1cc(ccc1Oc2c(cc(N)c(C)c2)C)-c3ccc(cc3)OC	11
+c1cc(ccc1S(=O)(=O)Nc2cc(no2)C)-c3ccc(cc3)OC	11
+c1cc(ccc1-c2ccc(cc2)OC)C(OCC)=O	11
+c1cc(ccc1-c2ccc(cc2)C=Cc3[nH]c(cn3)-c4ccc(Cl)cc4Cl)OC	11
+c1cc(ccc1-c2[nH]c(nc2-c3ccncc3)-c4ccc(cc4)Cl)-c5ccc(cc5)OC	11
+c1cc(ccc1OC)-c2ccc(cc2)-c3nc(CCOc4ccc(cc4)OC(C)(C)C(=O)OCC)c(C)o3	11
+c1cc(ccc1OC)-c2c3c(cccc3)c(Br)cc2	134
+c1cc(ccc1-c2c3c(n(C)c(-c4ccccc4)c3C)ccc2)OC	495
+c1cc(ccc1OC)-c2ccc(cc2)C(c3ccccc3)C(OC)=O	11
+c1ccccc1COc2cc(cc3c(cc(nc23)C(OC)=O)O)-c4ccc(cc4)OC	11
+c1cc(ccc1)Cc2c3cc(ccc3n(C)c2C)-c4ccc(cc4)OC	11
+c1cc(ccc1-c2cn(c3cc(ccc23)-c4cc(ccc4)[N+]([O-])=O)-c5ccncc5)OC	550
+c1cc(ccc1-c2c(C)ccc(C(NC)=O)c2)OC(C(O)CCc3cnccc3)C	11
+c1cc(ccc1CC(O)=O)-c2ccc(cc2)OC(C)C(CCc3cnccc3)O	11
+c1cc(ccc1OC(C)C)-c2cc(Cl)cc(n2)Cl	140
+CC(C)Oc1ccc(cc1)-c2cc3cc(C(=O)OCC)[nH]c3cc2	11
+c1cc(ccc1-c2ccccc2C#N)CC=3C(N(c4ccc(cc4)OC(C)C)C=NC=3CCC)=O	10220
+c1cc(ccc1OCC2CC2)-c3cc(NC(Cc4ccccc4)C(OC)=O)ncn3	198
+O=S(=O)(C)c1ccc(cc1)-c2cc(ccc2F)-c3cn[nH]c3-c4nc(ccc4)C	11
+c1cc(ccc1-c2ccc3c(cnnc3c2)O)S(=O)(=O)C	495
+c1cc(ccc1S(=O)(=O)C)-c2ccc3cnc(SC)nn23	10221
+c1cc(ccc1-c2cnc3c(N(Cc4ccccc4)C(=O)CN3)c2)S(=O)(=O)C	796
+c1cc(ccc1-c2ccc3c(c(C(=O)OCC)n(c3c2)Cc4cccc(Cl)c4)NC(=O)c5ccc(cc5)Cl)S(=O)(=O)C	495
+c1cc(ccc1C)S(=O)(=O)N2CC(N(C(C)=O)c3cnc(cc23)-c4ccc(cc4)S(=O)(=O)C)C	119
+c1cc(ccc1)CN2CCC(CC2)COc3ccc(-c4ccc(cc4)S(=O)(=O)C)cn3	89
+c1ccccc1COC2CC(CCC2)Oc3c(cc(cc3F)-c4ccc(cc4)S(=O)(=O)C)F	11
+c1cc(ccc1)Oc2c(ccc3c2CCC(C)N3C(C)=O)-c4ccc(cc4)S(=O)(=O)C	11
+C1CC(CCC1Oc2c(F)cc(cc2F)-c3ccc(cc3)S(=O)(=O)C)Oc4ncc(cn4)CC	11
+c1cc(ccc1S(=O)(=O)C)-c2cccn3nc(N)nc23	1805
+CC(C)S(=O)(=O)c1ccc(cc1)-c2ncc(nc2)N	356
+c1cc(ccc1-c2cc(ccc2OC)-c3n(c(cc3C)C(OC)=O)C)S(=O)(=O)N	11
+c1cc(ccc1S(=O)(=O)N)-c2cc(-c3c(C)c(c(s3)C(OC)=O)C)ccc2OC	11
+c1cc(ccc1S(=O)(=O)NC)-c2cnn3ccc(C(=O)N(c4ncc(C#N)cc4)CC)cc23	4785
+c1cc(ccc1SC)-c2cccc(C=CC(N(OC)C)=O)c2	11
+c1cc(ccc1N2N=CC(=C(OC)C2=O)c3ccc(cc3)SC)F	10222
+c1cc(ccc1)COCN2C(=O)C(=C(N(C)C2=O)c3ccc(cc3C)OCOC)C	4580
+c1ccccc1COc2cc(c(cc2)-c3nc(ccc3)-n4c(ccc4C)C)C5CC5	119
+C1CCC(C1)c2cc(OCc3ccccc3)ccc2-c4nc(ccc4)-n5c(ccc5C)C	119
+c1(F)c(c(Cl)ccc1)-c2cc3c([nH]2)ccc(-c4ccc(OC)cc4OC)c3	11
+Clc1c(-c2cnc(C)cc2)ncc(c1)C(=O)OC	3081
+n1cc(cnc1CCCCCCCC)-c2ccc(cc2)-c3cc4CC(Cc4cc3)CCCCCCCC	11
+c1c(ccc2c1OCCO2)-c3n4c(cc(c3)C)nc(N)n4	10223
+c1(N)cnc(-c2cc3cnn(C)c3cc2)cc1	119
+C1CC2(CCN1S(=O)(=O)c3ccc(cc3)-c4ccc5cccnc5c4)OCC(=O)N(C2)C6CC6	4980
+c1ccnc(c1)-c2c(OC)ccc(-c3cc4c(cccc4)cc3)c2OC	11
+c1cc2ccccc2cc1-c3cc(ccc3)Br	134
+c1cc(ccc1CC2=C(N=C(N(C2=O)c3cccc(C(C)=O)c3)C)CCCC)-c4ccccc4C#N	1778
+C(C)OC(=O)c1cccc(c1)-c2ccc([N+]([O-])=O)cn2	140
+c1cc(ccc1-c2cccc(C)c2)C(=O)OCC	11
+c1ccccc1COc2c3nc(cc(O)c3cc(-c4cccc(C)c4)c2)C(OC)=O	11
+c1cc(ccn1)-c2nc(NCC(N)Cc3ccccc3)ccc2-c4cccc(C)c4	89
+c1(cc(cc(C)c1-c2cc(ccc2)C=O)O)C	11
+c1cc(ccc1)Cn2ncc(c2)C(=O)Nc3c4c(n(S(=O)(=O)c5ccc(cc5)C)c3)ncc(c4)-c6cccc(C=O)c6	89
+c1(cc(-c2ccnc(Cl)n2)ccc1)C=O	198
+c1(cc(-c2scc(Cl)n2)ccc1)C=O	10224
+c1c(CCO)cc(cc1)C=2C=CC(=O)N(Cc3cc(C(=O)OC)ccc3)N=2	4979
+Clc1cccc(-c2c(F)cccc2OC)c1	11
+Clc1cccc(c1)-c2c(ccc(CO)c2F)OC	11
+Clc1cccc(c1)Oc2cc(OC)ccc2C3CN(C(=O)C3)c4cccc(C(=O)N)c4	472
+Clc1cccc(c1)-c2c(ccc(n2)C(=O)O)OC	119
+Clc1cccc(c1)-c2c(ccc(C)n2)OC	119
+c1ccccc1Cn2ccc3c2cc(-c4cc(Cl)ccc4)cc3	495
+c1nc(ncc1OCC)-c2cc(Cl)ccc2	345
+n1cc(cnc1-c2cc(Cl)ccc2)OCCOC	345
+Clc1cccc(-c2n3c(nc2)ccc(Cl)n3)c1	1414
+c1nc(ncc1)-c2cc(Cl)ccc2	345
+Clc1cccc(c1)-c2c(ncn2C)-c3cc(C#N)ccn3	1234
+O(c1cccc(NC(C)=O)c1)c2cnc(cc2)Cl	10225
+c1ccccc1-n2cnc3c2c(cc(C#N)c3)-c4cc(ccc4)NC(C)=O	4745
+c1cc(ccc1Cl)CN2C(N(c3cc(NC(C)=O)ccc3)N=C(Br)C2=O)=O	4984
+c1(c[nH]c2c1c(ncn2)-c3cc([N+]([O-])=O)ccc3)C(=O)OCC	10226
+c1c(c2c(sc(NC(c3sc(C)cc3)=O)n2)c(c1)-c4cc([N+]([O-])=O)ccc4)OC	10227
+c1cc2c([nH]1)cc(cc2)-c3cc(ccc3)[N+]([O-])=O	495
+c1(OC)c(Br)cc(cc1-c2cc([N+]([O-])=O)ccc2)CCN3C=CC=CC3=O	3022
+c1cc(ccc1C(=O)OCC)-c2ccc(OC)c(-c3cc(ccc3)[N+]([O-])=O)c2	11
+c1cc(ccc1Cc2cc(c3c(CCO3)c2)-c4cc([N+](=O)[O-])ccc4)F	11
+c1(-c2cc([N+]([O-])=O)ccc2)ccnc(Cl)n1	198
+c1c(N)cc(-c2c3nc(Cl)nc(c3sc2)N)cc1	4680
+c12cc(ccc1nc[nH]2)Nc3nc(-c4cc(ccc4)N)cn5ccnc35	356
+n1c(c2c(cccc2)c(n1)O)Cc3cc(c(cc3)F)-c4cc(N)ccc4	11
+c1cc(-c2cc(ccc2)N)ncc1Br	3342
+C1CN(CCN1C)c2ccc(cc2)Nc3ncc4cccc(c4n3)-c5cccc(N)c5	1009
+OB(O)c1cc(ccc1)NC(=O)Nc2ccc(cc2)Cl	124
+C1CN(CCN1c2ccc(cc2)Nc3ncc4cccc(c4n3)-c5cccc(N)c5)C(O)C	1009
+c1cc(ccc1-c2cccc(N)c2)S(=O)(=O)NC	11
+c1ccccc1Nc2c3nccn3cc(-c4cccc(c4)N)n2	356
+c1c(N)cc(-c2ccc3n(cc(NC(C)=O)n3)n2)cc1	519
+c1cc(ccc1OC)-c2cc(O)ccc2	134
+c1cc(ccc1OC)COC=2C(N(C(c3cc(O)ccc3)=NC=2)C)=O	10228
+c1(-c2nc(NC3COCC3)c(c(Cl)n2)C)cc(ccc1)O	345
+n1cc(-c2cc(ccc2)O)cc(NC(c3cc(OC)c(C)cc3)=O)c1	89
+[N+]([O-])(=O)c1c(ccc(-c2cc(OCC)ccc2)c1)F	11
+c1cc(ccc1-c2cc(OCC)ccc2)C=O	11
+n1cc(cnc1-c2cc(ccc2)OCC)C(=O)O	345
+n1c(ccc(F)c1-c2c(c(ccc2)F)F)C(=O)O	119
+c1(sc(-c2c3ccccc3ccc2)c(C)n1)C(=O)OCC	2713
+c1cc(ccc1NC(=O)Nc2c(OCCC)c(cc(-c3c(cccc3)-c4nnn[nH]4)c2)C(c5ccccc5)C=C)C	11
+c1cc(ccc1Cl)CN2C(=O)C(Br)=NN(c3c(CO)cccc3)C2=O	4984
+Fc1ccccc1Nc2c(c(cnc2)-c3c(F)cccc3)C(=O)OC	89
+c1c(c(ccc1)F)-c2ncc(cc2)[N+]([O-])=O	119
+c12c(c(c(cc1c3cc(C#N)ccc3o2)F)O)-c4c(cccc4)F	10229
+n1c(NC(CC)C)cc(C(=O)OC)cc1-c2ccccc2F	140
+c1c(c(ccc1)F)-c2nc(c(cc2)[N+]([O-])=O)N	140
+c1cc(ccc1OC)-c2c3c(oc2-c4ccccc4F)ncnc3NCCCCCC(=O)OC	1242
+c1cc(ccc1C)S(=O)(=O)n2c3c(c(-c4c(cccc4)F)c2)cc(-c5cc(C(N6CCOCC6)=O)ccc5)cn3	10230
+C1CCCN1C(=O)Cn2nc(-c3c(cccc3)F)c4c(Cl)c(-c5ccccc5)nnc24	4981
+c1nc(ncc1-c2c(cccc2)F)-n3cc(c4c3cc(C(=O)OC)cc4)SC	537
+c1cnccc1-c2ccccc2[N+](=O)[O-]	835
+Clc1cc2ncc(-c3cc(Cl)ncc3)n2cc1	10231
+CC(=O)c1cccc(c1)-c2ccnc(Cl)c2	498
+c1cc(ccc1-c2ccnc(c2)C)CNc3nccc4cc(ncc34)-c5cc(C)ncc5	1299
+c1cc(ccc1-c2ccnc(C)c2)CN	498
+c1c(nc2ccnc(Cl)c2c1)-c3cc(ncc3)C	10232
+C(c1cc(C)c(-c2cc(F)ncc2)nc1)C(=O)O	1299
+n1c(cc(-c2nc(ccc2)-c3cnc4ccc(nn34)N5CCCC5c6cc(ccc6)F)cc1)F	1238
+Clc1c(-c2c(-c3cc(F)ccc3)nc(cn2)N)ccnc1	3712
+c1([N+]([O-])=O)ccc(Cl)c(-c2c(cncc2)F)c1	498
+c1cc(ccc1)S(=O)(=O)Cc2ccc(c(O)c2C(OCC)=O)-c3ccoc3	1628
+c1c(cc(-c2ccsc2)cc1F)Br	1384
+O(CC)c1cc(-c2cscc2)cc(OCCCCCCc3cccc(c3CCC(OCC)=O)OCCCC(=O)OCC)c1	1384
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(-c3ccsc3)cc(C(C)=O)c2	1384
+O=S(=O)(C)c1cc2[nH]c(-c3ccc(cc3)-c4cscc4)nc2cc1	1384
+c1cc(ccc1CC(O)=O)-c2cscc2	1384
+c1cc(ccc1C#N)-c2ccc(nc2)F	305
+n1c(OC)ccc(c1)-c2sccc2C	10233
+n1cc(cnc1-c2cnc(OCCCCCC)cc2)Br	10234
+c1nc(ncc1-c2ccc(OCCCCCCCC)nc2)-c3ccc(c(F)c3F)OCc4ccccc4	4985
+c12c(NC(CC)C=3N=C4N(C(=CC=C4)C)C(=O)C=3c5cc(F)cnc5)ncnc1nc[nH]2	10235
+n1cc(-c2cc3c(n[nH]c3cc2)C(Nc4cccnc4)=O)cc(F)c1	305
+c1cc(ccc1O)CCNc2c3c(n(C(C)C)cn3)cc(-c4cc(F)cnc4)n2	10236
+c1ccccc1-c2ccc(Cc3cncc4ccccc34)cn2	10237
+c1(C)c([N+]([O-])=O)cnc(-c2cnccc2)c1	4787
+c1(C2=NN(Cc3cc(ccc3)C(=O)OC)C(=O)C=C2C)cnccc1	10238
+c1(C=O)cc(-c2cnccc2)c(cc1)CC	305
+C1CC(CCN1c2c(cncc2Cl)-c3cccnc3)C(N)=O	10239
+C1CCCC(n2c3ccc(-c4cnccc4)cc3c(C(=O)OC)n2)O1	305
+c1(-c2cnccc2)ccc([N+]([O-])=O)c(N)n1	3081
+c1cc(ccc1)C(N2CCNc3ncc(-c4cnccc4)cc23)=O	4763
+c1cc(ccc1-c2cccnc2)-c3[nH]c4c(ccc(S(=O)(=O)C)c4)n3	305
+c1cc(ccc1OCCc2nc(-c3ccc(cc3)-c4cccnc4)oc2C)OC(C)(C)C(OCC)=O	305
+O=C1N(C)c2ccc(-c3cc(cnc3)-c4cnccc4)cc2C1	1168
+n1cc(cnc1N2CCc3c4ccccc4[nH]c3C2c5ccc6c(OCO6)c5)-c7cccnc7	4985
+n1cc(cnc1)-c2cc(C3(c4c(C(N)=N3)nccc4)c5cc(OCCCF)ncc5)ccc2	10240
+n1cc(cnc1)-c2cc3c(C=C(C(OCC)=O)CC(=N3)N)cc2	10241
+c1cc(ccc1NC(c2cc(c(nc2)Cl)-c3cncnc3)=O)OC(F)(F)Cl	10242
+n1cc(cnc1)-c2nccc(Nc3cc([N+](=O)[O-])ccc3C)n2	10243
+c1c(-c2cc3ccccc3o2)ccc4cc(OC)ccc14	3062
+C=CCN(CC=C)S(=O)(=O)c1cnccc1NS(=O)(=O)C=Cc2ccc(cc2)-c3cc4ccccc4o3	3062
+N#Cc1cncc(-c2cc3ccccc3o2)c1Nc4ccc5[nH]ccc5c4C	10244
+c12c(nnc(c1c(N)ccc2)O)Cc3ccc(F)c(c3)-c4occc4	1752
+c1cc(N)c(cc1)-c2ccco2	1752
+c1cc(ccc1)CN2CCC(CC2)Nc3c(cnc(NCc4ccccn4)n3)-c5ccco5	10245
+c1cc(ccc1C(=O)N(C(C)C)Cc2ccccc2O)-c3occc3	1752
+c1ncn(c1)Cc2cnc(cc2)-c3sc4c(cccc4)c3	10246
+c1(ccc2cc(ccc2c1Br)-c3sc4c(cccc4)c3)OCC#N	2187
+c1(ccc2cc(ccc2c1Br)-c3sc4c(cccc4)c3)OCC(=O)OCC	2187
+N=1C(=CC(=O)N(C=1N)C)CCc2cccc(-c3cccs3)c2	809
+C1c2c(C(=O)N1C)ccc(-c3cccs3)c2	809
+Nc1cc(-c2cccs2)ccc1[N+]([O-])=O	809
+c1c(CCCCC)c(cc(-c2cccs2)c1)F	809
+c1cc(ccc1C(CC2CCCC2)C(=O)Nc3sccn3)-c4sccc4	809
+c1cc(ccc1O)CNc2c(ncc(n2)-c3cccs3)N	10247
+c1cc(ccc1OC)-c2sccc2	809
+O=S(=O)(c1ccc(cc1)-c2cccs2)Nc3c(OC)ccc(c3)Br	1373
+c1cc(c2c(c1)C(=O)C(C)C2)-c3ccccn3	214
+Brc1c(Br)cc2c(c1)NC(=O)C(=O)N2	2966
+C(C1C(CCCC1)C(NCC#N)=O)O	21
+c1(F)c(cc(c(Br)c1)F)CCC(=O)O	159
+c1cc(CCC(=O)O)cc(C)c1C	159
+c1cc(ccc1Cl)-c2c(OCCCCC(=O)O)ncc(c2)C(=O)NC3CCCCC3O	10248
+c1cc(ccc1)COC(CN(CC2CCCCC2)C(c3cc4c(cccc4)cc3N)=O)=O	3257
+c1ccccc1CN(C(=O)c2c(N)cc3c(cccc3)c2)CCC(OCC)=O	30
+c12ccsc1c3c(cn2)nc(C(C)O)n3C4COCCC4	10249
+C(CC)(CC(C(N)=O)=O)C([N+]([O-])=O)C	1363
+c1cc2-c3c(cccc3)C(NC(=O)C(O)C)C(=O)Nc2cc1	207
+n1c(nc(cc1NCC(O)C(OC)=O)C(=O)N)Cl	40
+[N-]=[N+]=Nc1cc(O)c(cc1)C(=O)NC(C(C)O)C(=O)NCC	1007
+CC(C)CC(C(O)CCC)C(=O)OC	2616
+c1cc(ccc1Cc2ccc(cc2)CN3CCOCC3)C(=O)NC(C(=O)OC)C(O)C	259
+c1ccccc1COC(=O)N2CCCC2(Cc3ccccc3)C(NC(C(OC)=O)C(C)O)=O	188
+c1ccccc1COc2c(C(=O)NC(C(OC)=O)C(O)C)ccc([N+]([O-])=O)c2	3401
+O=C(O)C(C(C)O)Nc1ccc(C#N)c(Cl)c1C	945
+N(c1cc(Cl)c(cc1)C#N)C(C(C)O)C(=O)O	945
+c1ccccc1CCCOC(=O)NC(C(O)=O)C(O)C	544
+c1cc(ccc1)CNC(CC)C(O)C	42
+c1(cc(F)c(cc1)F)C(N)C(C)O	840
+c1cc(ncc1Br)C2=NOC(CNC(C)=O)C2	10250
+c1ccccc1COCCCCCCCCCCCSC(=O)C	4157
+c1nc(n2c1cncc2)CCSC(=O)C	4893
+c1cc(ccc1-c2noc(C(C)O)c2)F	1814
+C(C)(O)C#Cc1n2c(nc1)ccc(Br)n2	10251
+c1ccccc1COC=2C(=O)C=C(OC=2C(O)C)C	3130
+c1ccccc1COC2=C(C(O)C)OC=CC2=O	3130
+C(CCO)CCC(O)C	21
+c1(cc(ccc1O)Nc2c3c(cccc3OC(CN)C)ncn2)Cl	1111
+c1c(Br)cc2CN(C(c2c1)=O)CC(O)C	10252
+c1cc(ccc1Cl)CCNCC(O)C	132
+c1cc(ccc1F)-c2nc(SC)n(C)c2-c3cc(ncc3)NCC(O)C	182
+c1cc(ccc1F)Cc2cnc3C(O)=C(C(=O)N(CC)c3c2)C(=O)NCC(O)C	1112
+c1cc(ccc1)-c2c3c(cn2CC(C)O)N(C)C(N(C3=O)C)=O	10253
+C1(c2c(C(=O)N1C(C)C3=C(Br)C(N4C(C)=CC=CC4=N3)=O)cccc2)=O	4798
+o1nc(cc1-c2cc(CCC(=O)C)ccc2)C(=O)OC	10254
+c1cccc(CC(OC)=O)c1OC(C=C)CC	10255
+c1cc(ccn1)C(Cn2c3c(c4cc(ccc24)C)CN(CC(O)C)CC3)O	28
+c1(cc(cc(I)c1O)C(=O)c2c(CCC(=O)OC(CC)C)oc3c2cccc3)I	27
+c1ccccc1COC(NCCC(=O)NCC(O)CC)=O	9
+n1cc(OC)cc(c1)C=CCC(O)C	1514
+CCCCC(=O)CC=CI	10256
+N(CC(O)CCC)c1nc(N)nc2CCCCc12	40
+CCCCC(=O)C#CC	10257
+c1cc(ccc1C)S(=O)(=O)OCCC(C)O	36
+s1cc(CCC=O)nc1	1156
+c1ccccc1C(=O)OC2C(CN(CC(O)CC#N)CC2)F	53
+OC(CN(CC(O)=O)CCNCC(=O)O)=O	3
+c1cc(ccc1-c2cncc(C#N)c2)C(C)(C)C(=O)NCC(c3occc3)O	9
+c1cc(ccc1Cl)CNC(C=2C(c3cc(CN(CC(c4cccn4C)O)C)sc3N(C=2)C)=O)=O	822
+c1cc(ccc1Cl)CNC(=O)C=2C(=O)c3sc(CN(C)CC(c4occc4)O)cc3N(CC(=O)N(C)OC)C=2	822
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(sc(CN(CC(c4occc4)O)C)c3)N(CC)C=2)=O	822
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(O)CC(OCC)=O	604
+c1cc(ccc1Br)OCC(O)CO	72
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(C(NCC(CO)O)=O)cnn14	1339
+c1cc(ccc1Br)OCc2csc3c(C(=O)NCC(CO)O)cnc(N)c23	2443
+c1c2c(ccc1)nc3c(cccc3)c2NCC(CO)O	105
+O1C(CO)CNC(C1)=O	467
+c1cc(ccc1OCc2ccccc2)CCCCn3c(ncc3)CC(O)CO	4452
+c1c(C#N)cc(OC(COC)C)cc1Br	57
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3[nH]c(C(OCC)=O)cc3c2	1346
+O=S(=O)(OC(COC)CC)c1ccc(cc1)C	36
+c1c(I)cc(c(Nc2c(C(NOCC(O)C)=O)ccc3cncn23)c1)F	1546
+c1cc(c(NC(Cc2c(cccc2)-n3nnnc3)=O)c([N+]([O-])=O)c1)O	33
+c1cc(ccc1C#N)CCNC(Cn2cnc3N(C(N(C)C(c23)=O)=O)C)=O	9
+c1(c(cccc1NC(=O)C2N(CC(C2)F)C(=O)Cn3nc(C(N)=O)c4ccccc34)-c5c(Cl)cc(c(F)c5)F)F	348
+c12nnc(C)n1nc(-c3ccccc3F)cn2	4743
+c1cc(ccc1-c2c(C3=NOC(=O)N3)cccc2)CC=4C(N(c5n(C=4CCC)nc(C)n5)C(COC)C)=O	618
+c1cc(ccc1CC2=C(n3ncnc3N(CC(=O)N)C2=O)CCC)-c4c(C5=NOC(=O)N5)cccc4	618
+c1cc(ccc1N2C=NC(=C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)C2=O)CCC)OC(C)C	618
+c1cc(ccc1OC)C(CN2C(C=C(CCC)N(C2=O)Cc3ccc(cc3)-c4c(cccc4)C5=NOC(=O)N5)=O)=O	1671
+c1cc(ccc1-c2c(C3=NOC(=O)N3)cccc2)CC=4C(=O)N(C(=NC=4CCCC)C)c5ccc6OCCc6c5	618
+c1cc(ccc1CN2C(=O)C(c3ccccc3)=C(N=C2SCC)C)-c4c(cccc4)C5=NOC(=O)N5	1671
+c1cc(ccc1OC)N2C(CC)=NC(CCC)=C(C2=O)Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4	618
+c1cc(ccc1)C(c2ccccc2)(C(N)=O)CC3CCN(CC3)Cc4ccccc4	3797
+[O-][NH+]1C=2C(=O)c3ccccc3C=CC=2C=CC1=O	10258
+N(C(C=C(OC)C)=O)c1cc([N+]([O-])=O)ccc1	10259
+Brc1ncc(c(C(=O)C)c1)F	155
+C(O)(c1c(N)cc2c(OCO2)c1)=O	0
+c1ccccc1COC(C)c2cc(c(nc2)SC)Cl	149
+O=C1c2ccc(cc2OCc3c1cc(cc3)F)F	358
+C(c1cc2c(cc1)n(C)nn2)(=O)c3cc(OCC)c(OC)cc3	335
+C(CCCC)CCOc1ccc2c(ncc(C(C)=O)c2)c1	716
+c1cc(ccc1CCC(NCC(c2cccnc2)O)=O)Br	9
+CCC(c1cccnc1F)=O	716
+Nc1nccc(c1)C(Oc2ccc([N+](=O)[O-])c3ccccc23)C	57
+CCOC(c1c2-c3c(cccc3)Oc4c(cccc4)-c2cs1)=O	4973
+OC12C(C)(C(CC#N)CC1)CCC3C2CCC4C3(CCC(O)C4)C	59
+c1cc(ccc1C)S(=O)(=O)OCCSC2CCC3(C)C(CCC4C5(CCC(c6ccoc6)C5(CCC34)C)O)C2	36
+c1cc(ccc1F)CN(OCC(=O)N(C)C)C(C=2CN(C)C(C=2O)=O)=O	4902
+c12c(ccc(c1)O)cco2	10260
+c1(C=O)cc2c(cc1)C(O)CCC2	39
+C(N(CCC#N)CCCO)=O	1003
+C(n1cnc2cc(ccc12)C(=O)OC)CCl	1449
+c1(cc2c(n(cn2)CCNC(C)=O)cc1)-c3nnc(O)cc3	1449
+c1([nH]c2c(cccc2)n1)-c3n[nH]c4c3cc(C=O)cc4	10261
+c1(c(C)cccc1)Nc2c(C(OC)=O)cc3[nH]cnc3c2F	3132
+c1c(-c2cnn(C)c2)ccc(NC=O)c1C	753
+c1cccc2CN(C=O)CCOc12	1003
+c1(ccc2c(oc(SC)n2)c1)Cn3cnc4c3cc(Cl)c(Br)c4	1449
+c12[nH]cnc1c(N)cc(c2)Br	631
+c12c(ccc(c1)O)ncn2C	10262
+O=Cc1c(c(c(N)c(F)c1)Br)F	1543
+c1c(cc2n(cnc2c1)Cc3cncc(F)c3)Br	1449
+c1(C=O)cc2c(cc1)nc(NC)nc2OCC	10263
+c1c2c(CCCNCCOc3cccc4c3[nH]cn4)c[nH]c2ccc1	631
+c1cc(ccc1)-c2oc3c(c(O)ncn3)c2-c4ccccc4	10264
+c1cc(ccc1)Cn2c3c(c(-c4ccccc4)cc(NC)c3)nc2	10265
+c1cc(ccc1)C2c3c(CCN(C2)C)c(c(OC)cc3)[N+](=O)[O-]	2195
+c1cc(ccc1)CN2c3ccc(C=O)cc3-c4ccccc4C2=O	1543
+c1cc(ccc1)COc2cc3C(N(Cc4ccc(OC)c(c4)OC)C(N(c3cc2)C5CCN(CC5)C=O)=O)=O	1003
+c1cc(ccc1)NC=O	753
+c1ccccc1Nc2c(c3[nH]cnc3cc2C(OC)=O)F	3132
+c1ccccc1SC(CNC=O)c2c3ccccc3ccc2OC	707
+c1cc(ccc1F)C(=O)C2CCN(CC2)C	2195
+c1cc(ccc1Cl)NC=O	753
+c1cc(ccc1I)NC=O	2887
+c1cc(ccc1NC(=O)Nc2ccncc2)-c3nc(N4CC5CCC(C4)O5)nc(N6CCN(CC6)C)n3	2195
+c1cc(ccc1OCCNC=O)-c2c(C#N)c3c(n2CC)cc(cc3)OC	707
+c1cc(ccc1NC=O)[N+](=O)[O-]	753
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CNC=O	707
+c1ccccc1COc2cc(CC(NC=O)CC)ccc2OC	707
+c1ccccc1COc2c(cc(cc2)CCN)NC=O	2887
+c1ccccc1COc2cccnc2CNC=O	707
+c1cnc(Cl)c(CNC=O)n1	707
+c1cnccc1COc2cc(C=O)ccc2	1543
+C(C(C=O)CC)Sc1ccccc1OC	24
+C(O)C(CO)(NCc1c2c(cc3cc4c(cccc4)cc13)cccc2)C	42
+C(O)C(CO)(C)NCc1cc2c3ccccc3ccc2c4ccccc14	370
+C1(=O)COCC(c2cc(ccc2)Br)(CO)N1	467
+n1c(Br)cc(C2(COCC(=O)N2)CO)cc1	467
+C1(=O)COCC(c2nc(ccc2)Br)(CO)N1	467
+OCC(CO)(c1ccc(cc1)NC(=O)Oc2ccccc2)O	90
+C(O)C(CO)(N)c1cccc(Br)c1	157
+OCC(CO)(O)c1ccc(cc1)N	0
+C(O)C(CO)Nc1nc2c(C=CC(=O)N2c3ccc(cc3F)F)c(Cl)n1	306
+c1cc(ccc1C(N2CCN(CC2)c3c(cccn3)NC(C)C)=O)C(=O)NC(CO)CO	513
+c1ccccc1C=Cc2cc(-c3cc4c([nH]3)nc(NC(CO)CO)nc4O)ccn2	785
+c1ccccc1COCC2C(CO)CC=CC2	555
+c1cc(ccc1F)COCC2n3c(COC2)nc4cnc5ccccc5c34	149
+c1cc(ccc1S(=O)(=O)OCC2Oc3ccccc3-c4n(C2)c5c(cccc5)n4)C	36
+O=C(CN1CCCC1=O)N2CCCC2C(N3CCCC3C=O)=O	24
+O(C(=O)CCCCCCN1C(C=O)CCCC1=O)C	24
+c1ccccc1C(NC=2C=CN(C3C(O)C(C(O3)CO)O)C(N=2)=O)=O	10266
+c1cc(ccc1S(=O)(=O)OCCC2COc3c(cccc3)O2)C	36
+c1nc(ncc1OCCC=CCCCC)-c2ccc(cc2)CCCCCOCCC	1897
+C(CCCN1C(=O)c2c(nc(n2CC=C)Cl)N(CCCC)C1=O)O	1474
+c1cc(ccc1C)S(=O)(=O)OCCCCCCO	36
+C(CCCCl)OC(=O)Nc1ccc([N+]([O-])=O)cc1C	589
+C(CCCNc1c(c(nc2ccccc12)Cl)[N+](=O)[O-])O	105
+c1c([n+](ccc1)[O-])NCCCCO	1911
+C(NCCCCO)(c1ccc2ccccc2c1)=O	93
+N#CC(C#N)=C1N(CCN1)CCCO	10267
+O1CCOC1c2ccc(c(Cl)c2)Oc3cc([N+]([O-])=O)c(N)cc3	1435
+C1COC(O1)(C)Cc2cc([N+]([O-])=O)ccc2	381
+c1cc(C#N)cc([N+]([O-])=O)c1OCCO	57
+O1CCOC12CC(CC2)c3c(F)cc(c(c3)F)Br	381
+C1COC(O1)c2c([N+](=O)[O-])cc(F)cn2	4986
+C1COC(O1)c2ncccc2[N+]([O-])=O	4986
+c12c(C(=O)N(C1=O)CCCCCCC3(OCCO3)C)cccc2	381
+c1c(c(c(I)cc1C(=O)OCC)OCCO)Br	126
+c1c(C)nc(cc1)-c2[n+]([O-])c(C)cc(OCCO)c2	1210
+c1c(I)c(cc(c1Cl)Cl)Oc2cc(ccn2)OCCO	260
+O1CCOC1c2c(OC)ccc([N+](=O)[O-])c2	1435
+C1COC(O1)c2cc(OCCOCCOCCOCCN=[N+]=[N-])c(OC)c(c2)OC	10268
+C1COC(O1)(CC(=O)OCC)c2cc(Br)ccc2F	10269
+C1COC(O1)CCc2cc3nc(oc3cc2)Cc4cc5c(cc4)cccc5	2881
+c1cc(OC)cc(OC)c1C(CCCCC)CC(O)=O	1746
+O1CCOC1(c2oc3c(c(ccc3OC)[N+](=O)[O-])c2)C	10270
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)SC=Cc4scnc4COCCO	10271
+c1cc(ccc1C)-c2c(ncnc2OCCO)N	145
+c1cc(ccc1C2(OCCO2)C)[N+](=O)[O-]	3104
+C1CC(CCC1C2(OCCO2)c3ccc(cc3)Cl)C(=O)N(OC)C	3104
+O=S(=O)(CCC)Nc1c(c(OCCO)ncn1)-c2ccc(cc2)C	145
+O=S(=O)(CCc1ccccc1)Nc2c(c(OCCO)ncn2)-c3ccc(cc3)C	145
+c1cc(ccc1-c2c(ncnc2NS(=O)(=O)Nc3ccc(cc3)C)OCCO)C	145
+c1cc(ccc1C)S(=O)(=O)N2c3ccccc3C(CCC2)CC(=O)O	1746
+O1CCOC1c2ccc(cc2)Oc3ccc([N+](=O)[O-])c(c3)C	1435
+O1CCOC1c2ccc3oc(C(=O)c4ccc(cc4)F)cc3c2	1435
+c1cc(ccc1[N+]([O-])=O)OCCO	57
+O1CCOC1CN2C(=O)C(NC(=O)Nc3ccc(cc3)C)(c4ccccc24)CC(Nc5ccc(cc5)C)=O	2881
+c1cc(ccc1[N+]([O-])=O)OC(C)C(OCCO)=O	456
+C1COC2(O1)CCN(S(=O)(=O)c3ccc(cc3)C#N)C2	381
+c12c(ccs1)cc(C(O)COCCO)cc2	850
+c1cc(ccc1)C(CC(O)=O)Cc2c(cccc2)OC	1746
+CC(C)(C(=O)O)Cc1ccccc1	1746
+O1CCOC1(CC(Cc2ccccc2)N3C(=O)c4ccccc4C3=O)C	381
+c1ccccc1CCS(=O)(=O)Nc2c(Oc3cc(OC)ccc3)c(nc(N4CCOCC4)n2)OCCO	145
+c1cnccc1-c2nc(OCCO)c(Oc3c(OC)cccc3)c(n2)NS(=O)(=O)CCc4ccccc4	145
+c1ccccc1CN2CCC(CC2)N(C(C)C)C(CCCOCCO)=O	649
+c1ccccc1COC(N2C(C(OC)=O)CC3(OCCO3)CC2)=O	381
+c1ccccc1COCCC(C2OCCO2)CC=C	10272
+c1ccccc1COCCCCC2(CCCC3(OCCO3)CO2)C	381
+O=S(=O)(c1ccccc1)Cc2c(ccc(c2)OCCO)[N+](=O)[O-]	57
+c1c2ccccc2cc(CCN=[N+]=[N-])n1	600
+c1c(cnc(c1)OCc2c(onc2-c3c(cccc3)F)C)C(=O)OC	91
+c1(Cl)cccc(Cl)c1-c2nc3c(s2)c(ncc3)Nc4cc(CO)ncn4	4925
+O=C1c2ccccc2C(=O)N1Cc3ncnc(c3)N	2181
+O=Cc1ncc(cc1)C(=O)OC	178
+O=Cc1nc2c(cc1)cc(cc2Br)F	178
+c1(cccc(F)c1)COc2nc3c(C(NCC3)=O)cc2	91
+O=Cc1ncc(nc1)Cl	614
+c1c(c(Cl)cc([N+]([O-])=O)c1)OCc2cnccn2	57
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3cocn3	328
+c1(cc2c(nc1OCc3ncccc3)n(cc2)C)F	91
+C(c1nccc(c1C)SCc2ccco2)S(=O)c3[nH]c4c(n3)cccc4	10273
+Oc1c(ccc(O)c1Cl)C(=O)C	10274
+c1c2c(sc3c2cc(cc3)C(=O)O)ccc1	10275
+c12-c3c(cccc3)C(c1cccc2)COC(N4C(C)CCC(C4)C(=O)O)=O	1405
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)CCC(=O)O)cnc23	10276
+c1cc(ccc1C2(CCC2)C(O)=O)-c3c(cc4[nH]cc(C(=O)O)c4c3)Cl	1451
+c1cc(ccc1CC(=O)N2CCC2)-c3c(Cl)cc4c(c(C(O)=O)c[nH]4)c3	1451
+c1cc(ccc1-c2c(Cl)cc3c(c(C(O)=O)c[nH]3)c2)CO	1451
+c1cc(ccc1OCCN2CCOCC2)-c3c(Cl)cc4c(c(C(O)=O)c[nH]4)c3	1451
+c1cc(ccc1OCCO)-c2c(c3c(c[nH]c3cc2F)C(=O)O)F	1451
+C(Cn1cnc2cccc(c12)F)(=O)O	1405
+n1ccnn1-c2c(C(N3CC(C(O)=O)CCC3C)=O)cccc2	1405
+S(c1cc(ccc1)C(c2n(C)nnn2)=NO)C	10277
+[N-]=[N+]=NC1CCc2c(ccc(c2)C(NO)=N)C1O	181
+N(O)C(c1cc2nc(-c3c(Cl)ccc([N+]([O-])=O)c3)[nH]c2cc1)=N	181
+c1c(Br)c(c(cc1C(=N)NO)Br)O	181
+C(CC(c1cc(C)ncc1)=NO)(c2ccccc2C)c3cccc(-c4cccc(c4)C(O)=O)c3	189
+c1(C)cc(ccc1F)C(OC)CC(CC=C)C(=O)NO	909
+c1(C)cc(nc(Cl)n1)C(NO)=N	958
+c1(C)cc(nc(Cl)n1)C=NO	688
+c1c(cc(cc1)C=CC(=O)NO)NC(C=Cc2cc3OCOc3cc2)=O	793
+[nH]1c2nccc(-c3ccc(C)cc3C)c2c(C=NO)c1	506
+c1cc(cc(C)c1OCOC)C=NO	135
+c1(C)cc(ccc1[N+]([O-])=O)C=NO	135
+Clc1cc(ccc1C)C=NO	135
+c1c(c(cc(c1)C=NO)OCC)OCc2ccc(nc2)OC	135
+c1(cc(ccc1)-n2nc(C(=O)OC)c3cc(C#N)ccc23)Br	1421
+c1(NO)nc2c(c(n1)N)cccc2	10278
+ON=C(C(OC)=O)c1ccccc1O	4069
+N(O)C(c1c(cc2n[nH]cc2c1)F)=N	181
+N(O)C(=N)c1c(CC)c(Br)ccc1	181
+c12cc(OC)c(OC)cc1nc(Cl)c(C=NO)c2	506
+c1(ccccc1OC)C(=NO)N	253
+c12c(C)ccc([N+]([O-])=O)c1[nH]cc2C#N	4934
+[nH]1c2c(c(C=NO)c1)c(ncn2)Cl	506
+N(O)C(c1cc(-c2cc(F)ccc2)nc(n1)C)=N	958
+Cc1cc(cc(C)c1OCC(O)=O)C(=NO)c2cccs2	10279
+c1cc(ccc1OCCCOc2c(cc(cc2Cl)OCC=C(Cl)Cl)Cl)C(NO)=N	181
+c1(ccc(C(=O)NCc2c(OCC(=O)NC)cc(C(NO)=N)cc2)cc1C)F	181
+OC(C(c1cc(F)c(cc1)F)=NO)C	189
+C1(CC(c2ccc(OCOC)cc2OCOC)CCC1)C(NO)=O	293
+c1cc(F)c(Cl)c(C=NO)c1F	135
+c1(ccc(cc1Cl)NCC(=O)NO)Cl	1376
+c1(ccc2c([nH]c(-c3cccc4c3-c5c(C4=NO)cccc5)n2)c1)Cl	1205
+c1(ccccc1Cl)Oc2cc(c(cc2)C(=NO)C)Cl	189
+ON=C(c1ccnc(C)c1)C	189
+c1(nc2cc(C=NO)c(Cl)nc2n1C)C	506
+c1-2ccccc1N(CC)C(c3cc(cn-23)C=NO)=O	506
+c12C(=O)c3c(ccc(Br)c3)-c1nc(cc2)C=NO	688
+C1CC(=NO)c2ccccc12	189
+c12[nH]cnc1ccc(c2)C(NO)=N	181
+C1(=NO)c2c(c(F)ccc2)OCC1	189
+c12OCCCC(=NO)c1cccc2	189
+c12c(cccc1)CN(C2)C(=O)Nc3ccc(cc3)C(NO)=N	253
+c12c(cccc1n(nc2)CCC(OCC)=O)C(NO)=N	181
+c12C(=NO)CCc1cc(CCCCCC)c(OCCCC(=O)O)c2	189
+c1(N)cc(-c2cc3ccncc3cc2)no1	10280
+c12n(c(C(=O)OCC)c(c1cc(F)cc2)C=NO)Cc3c4c(cccc4)ccc3	506
+c12nn(C)cc1c(ccc2)C3CC3C=NO	410
+c1c(Br)cc2CCC(=NO)Cc2c1	350
+N(O)C(=N)c1cnncc1	3106
+C(C)CCC(c1cc(c(OC)cc1)OC)=NO	189
+c1c(C)cc(cc1OCC(C)=NO)C	350
+Fc1cc(cc(F)c1C=NO)C#N	135
+c1c(F)c(c(cc1C=NO)F)SC	135
+c1c(c(ccc1F)C(=NO)c2cccc(OC)c2)F	1205
+c1c(cc(c(c1)O)C(NO)=O)Br	1133
+C1(=NO)c2c3ccc(cc3n(c2CCC1)C)Br	1375
+c1c(nc(C(C)=NO)cc1)C	1213
+c1c(oc2c1cc(cc2)C(NO)=N)CO	181
+c1c2c(cc(CC(=N)NO)c1)CCC2	409
+c1cccc2c(C=NO)ccc(Br)c12	135
+c1cc(c(cc1)N2C(=O)C(C=NO)=C(C=C2)Cl)C	10281
+c1cc(c(cc1C(=NOC)CCC(=N)NO)Cl)Cl	409
+c1cc(cc(c1OC)C(NO)=N)F	181
+c1cc(cc(C(c2c(c(-c3cnccc3C)ccn2)F)=NO)c1OC)F	4158
+c1cc(ccc1)-c2c(cc(C(C)c3cc(N)on3)cc2)F	2459
+c1cc(ccc1)-c2c(F)cc(C(N)=NO)cc2	253
+c1cc(ccc1)-n2cc(c(-c3ccc([N+](=O)[O-])o3)n2)C=NO	4938
+c1ccccc1C(c2cncn2C)=NO	10282
+c1cc(ccc1)C(c2ccccc2)C(=O)Nc3c(O)nc(nc3)C=NO	4584
+c1ccccc1C23C(CCc4c(nc(-c5ccccc5OC)nc24)OC)C(c6oncc6C3)C	4987
+c1cc(ccc1)C=CS(=O)(=O)Nc2cc(ccc2)C=CC(NO)=O	2291
+c1ccccc1CC(c2ccc(c(C)c2)OCC(=O)OCC)=NO	189
+c1ccccc1CC=NO	410
+c1cc(ccc1)CCN2CCC(CC2)=NO	350
+c1cc(ccc1)CN2CCC(C(C)=NO)C(C2)c3ccc(cc3)Cl	350
+c1cc(ccc1)CN2C(=O)CC(C2)C(C)=NO	350
+c1cc(ccc1)CNC(=O)c2cccc(-c3cccc(C(NO)=O)c3)c2	1133
+c1cc(ccc1)Cc2c3c(cccc3)n(CC=NO)c2	410
+c1cc(ccc1)-c2c(c3c(C(CN(Cc4ccccc4)C3)C)n2Cc5ccccc5)C=NO	506
+c1cc(ccc1)NCCC(=N)NO	409
+c1cc(ccc1)S(=O)(=O)CC=CC=CC(=O)NO	10283
+c1cc(ccc1F)-c2c3n(nc(NC(=O)OCC)n3)ccc2	977
+c1cc(ccc1-c2cc(F)ccc2)C(CCC(O)=O)=NO	189
+c1cc(ccc1C(N(C)C(C(NC)=O)C(=O)NO)=O)-c2ccc(cc2)COC	10284
+c1cc(ccc1C(NO)=N)-c2oc(cc2)Br	181
+c1cc(ccc1C(Cc2ccc(SC)c(F)c2)=NO)Br	189
+c1cc(ccc1C(CC(=NO)c2ccnc(C)c2)c3ccccc3C)Br	189
+c1cc(ccc1C#CC#CCO)C(=O)NC(C(=O)NO)C(N)C	909
+c1cc(ccc1C#Cc2cc(F)ccc2)C(=N)NO	181
+c1cc(ccc1C(=N)NO)-c2nc3c([nH]2)cccc3	253
+c1cc(ccc1C(=N)NO)C2(C3CCC(C3)C2)c4ccc(cc4)OCc5ncccc5	181
+c1cc(ccc1C(NO)=N)C2CC3(C(N(C(N3)=O)C)=O)CC2	253
+c1cc(ccc1C(=NO)N)CCO	253
+O=S(=O)(N(Cc1ccc(cc1)C(=NO)N)C2C(NCCCC2)=O)c3ccc(cc3)Cl	253
+c1cc(ccc1I)C(=NO)N	253
+c1cc(ccc1C(=NO)N)Oc2ccccn2	253
+c1cc(ccc1[N+](=O)[O-])C(N)=NO	253
+c1cc(ccc1C(CC)=NO)OCC(OCC)=O	189
+c1cc(ccc1OCCOC)C(CC)=NO	189
+c1cc(ccc1OC)C(=NO)Cc2nccc(c2)Cl	189
+c1cc(ccc1C(c2c(F)cc(F)cc2)=NO)OC	1205
+c1cc(ccc1C(CCC(O)=O)=NO)-c2c(cc(Cl)cc2)F	189
+c1cc(ccc1OCOC)C(CCC)=NO	189
+FC(F)(C(=O)NO)c1ccc(cc1)NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C	1376
+c1cc(ccc1SCCNC(=O)c2oc3c(cccc3)c2)C(NO)=O	1133
+c1cc(ccc1C)S(=O)(=O)n2c3cccc(C=NO)c3cc2	135
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3	409
+c1cc(ccc1C=2C=CC(N(Cc3cc(NC(OCC)=O)ccc3)N=2)=O)C(NO)=N	181
+c1cc(ccc1C)C=NO	135
+c1cc(ccc1F)C=NO	135
+c1cc(ccc1NCCCCCCCCCCCCCCCC)C=NO	135
+c1cc(ccc1Oc2c(cc(Br)cc2)Cl)C=NO	135
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(NCCCCCCC(NO)=O)=O	909
+c1cc(ccc1C(=NO)N)CC(=O)OC	253
+c1cc(ccc1Cc2c3c4c(cnc(c4COC)C=NO)[nH]c3ccc2)Cl	688
+C1COCCN1Cc2ccc(cc2)Cc3ccc(cc3)C(=O)NC(C(=O)NO)C(O)C	909
+c1ccccc1COC(=O)N2CCCC2c3onc(C)c3Cc4ccc(cc4)Cl	10285
+c1cc(ccc1-c2onc(C(=O)OCC)c2)F	1208
+c1cc(ccc1C(Cc2nc(ccc2)Cl)=NO)F	189
+c1cc(ccc1F)C(=O)N2CCCC(C(N)=NO)C2	609
+c1cc(ccc1CC(=N)NO)F	409
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4c3cc(cc4)C=NO	135
+C1CN(CCC1=NO)c2ccc(cc2)OC	350
+c1ccccc1C(Nc2ccc(cc2)Cc3cn(C)c4ccc(C(=O)NO)cc34)=O	514
+c1cc(ccc1NCCCCCC(=NO)CCCCCCCCCC)C(OCC)=O	350
+c1cc(ccc1NS(=O)(=O)C)C(=NO)C	189
+c1cc(ccc1C(c2cc(CCC(=O)O)c(cc2OC)OC)=NO)OC	1205
+c1cc(ccc1OC)S(=O)(=O)N2C(C(NO)=O)C(CCCC2)COC(C)=O	293
+c1cc(ccc1OCCCC(=O)O)-c2ccc(cc2)C(N)=NO	253
+c1ccccc1-c2ccc(cc2)OCCCC(=O)NO	293
+c1cc(ccc1OCCCCCC)S(=O)(=O)N(CC(NO)=O)CC(C)C	1376
+c1cc(ccc1OCCN2C(Sc3c2ccc(C(c4ccccc4)=NO)c3)=O)OC(C)(C)C(OCC)=O	1205
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=NO	135
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)NC(=O)C4C(C(=O)NO)CC5(CC5)CN4C	293
+c1cc(ccc1OCc2cccc(F)c2)N3C(=O)CC(C(N)=NO)C3	609
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)C=NO	135
+c1cc(ccc1)COc2cc(c(c(c2)OCc3ccccc3)C(C)=NO)Oc4ccc(cc4)[N+]([O-])=O	189
+c1cc(ccc1Oc2c(ccc(F)c2)Br)C=NO	135
+c1cc(ccc1C(N)=NO)Oc2cc(cc(c2)OC(C)COC)C(=O)Nc3nn(C)cc3	253
+c1cc(ccc1OC)Oc2cccc(C=NO)c2	135
+c1cc(ccc1Oc2c(cccc2)C=CC(NO)=O)Cl	10286
+c1cc(ccc1S(=O)(=O)C)OCC(NO)=N	409
+c1cc(ccc1S(=O)(=O)N(CCc2ccc(cc2)OC)CCC(NO)=O)-c3[nH]nnn3	909
+c1cc(ccc1OCC#CCCOC2OCCCC2)S(=O)(=O)N3C(C(NO)=O)C(C)(C)SCC3	293
+c1cc(ccc1Sc2ccc(cc2)C(=O)NC(C(O)C)C(=O)NO)CN3CCOCC3	909
+c1cc(ccc1C=NO)Sc2ccccc2	135
+c1cc(ncc1Br)C=NO	688
+c1cc2c(cc1F)c(cnc2N)C(C)=NO	1375
+N(O)C(c1cccc2c1cc[nH]2)=N	181
+N(C(c1cc(C(=O)O)ccc1)=N)O	181
+N(O)C(c1c2CCCC(O)c2ccc1)=N	181
+N(=C1c2ccccc2CCC1)O	189
+c1cc(ccc1)-c2c(oc3cccc3c2)CC(=O)NO	1376
+c1ccccc1-c2nn(c3c2CCC4C(c5oncc5CC34c6ccccc6)C)C	4987
+c1cc(ccc1)-c2noc3c(c(O)ccc23)CCC	10287
+c1cc(ccc1)C(CC(C)C)=NO	189
+c1ccccc1C(F)(F)C(NO)=N	609
+c1cc(ccc1CCC(NO)=O)NC(c2ccccc2)=O	293
+c1ccccc1CC(NO)=N	409
+c1cc(ccc1SC)C(=NO)Cc2ccccc2	189
+c1cc(ccc1C(N)=NO)CC2C3C(=O)N(Cc4ccccc4)C(=O)C3C(C)(C)N2C	253
+c1cc(ccc1CC(C(=O)NC(C(OC)=O)C2CCCCC2)C(=O)NCc3ccccc3)C(N)=NO	253
+C1CC1CC(NC(=O)OCc2ccccc2)(C)C(NO)=N	409
+c1ccccc1COCC(OCC=NO)CC=C	410
+c1cc(ccc1)COc2cc(cc(Oc3ccc(cc3)[N+]([O-])=O)c2-c4onc(C(OCC)=O)c4)OCc5ccccc5	1208
+c1ccccc1COc2ccc(cc2)-n3c(C)c(C=NO)c4cc(F)ccc34	506
+c1ccccc1COc2cc3c(OC(C)(C)CC3=NO)cc2	189
+c1cc(ccc1OCC=NO)Oc2ccccc2	410
+c1cccn2c1ncc2C(Nc3c(C)ccc(c3)C(NO)=N)=O	181
+N(O)C(c1ccc(c2c1ccn2CC)Br)=N	181
+c1cnccc1C(=NO)c2c(F)cc(F)cc2	1205
+c1cnccc1Oc2ccc(cc2)C(N)=NO	253
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)C(NO)=N	2269
+c1nc(c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C)C(NO)=N	2269
+c1nc(C(NO)=N)c2n1-c3ccc(cc3C(N4C2CC4)=O)F	2269
+N(O)C(c1cc2c(n(nc2)CCCC(OCC)=O)cc1C)=N	181
+n1cc(ccc1OCC(OC)=O)C(C)=NO	1375
+N(O)C(=N)c1c2cc[nH]c2cnc1	3106
+c1ccccc1Cc2cccc(-c3nc(c(c(N)n3)N=O)O)c2	10288
+c1ccccc1Cc2onc(c2)C(OCC)=O	10289
+C1(c2cc(I)ccc2)ON=C(C(CCl)=O)C1	10290
+N#Cc1cc2nccc(Cl)c2s1	10291
+C1(C(N=O)=C(N(C(=S)N1)c2cc(CC)ccc2)N)=O	1882
+c1cc(ccc1CO)N=Nc2ccc(cc2OC)N(C)CCCN=[N+]=[N-]	725
+c1c(-c2cnccc2)ncc3n[nH]cc13	4988
+Clc1cc(cc(Cl)c1)N2C(N)=C(N=O)C(=O)NC2=S	863
+c1(nnnc2c1ccs2)O	10292
+n1n(CC=C)c2ccc(C#N)cc2n1	10293
+C(c1cc2c(cc1)n(nn2)CCCC)(=O)O	2183
+c1([nH]c2c(cccc2)n1)CN3C(=C(N)C(NC3=S)=O)N	3088
+c1cc(cc(c1Oc2cc3c[nH]nc3cc2)C#N)F	1559
+c1n[nH]c2cnc3cc(OC)c(OC)cc3c12	4988
+c1(c2ccc(cc2nnn1)F)O	10294
+n1c(C)ccc(CC)c1O	3021
+O(C)CCOc1ccc2c([n+](nc(O)n2)[O-])c1	10295
+c12cc(C(=O)O)ccc1[nH]nc2C=O	3135
+c12cc(NN)ccc1c(ccc2)OC	427
+N1(c2cc3c(cccc3)nc2)C(N)=C(C(=O)NC1=S)N=O	863
+C(c1c[nH]c2ncccc12)n3nnc4c3nc(cn4)Br	3545
+c1c(Cl)cc(cc1Sc2ccc3c(c([nH]n3)N)n2)Cl	10296
+Ic1cc(cc(I)c1)NN	427
+c1c(ccc(Oc2cc3nn[nH]c3cc2Br)c1F)F	1714
+c1cc2c(c(c1OC)OC)OC(=CC2=O)c3cc4c(cc3)[nH]nn4	1714
+c1(cccc(c1)O)NN	427
+O=[N+](c1cc(C)c(C)cc1OC)[O-]	2026
+n1[nH]c2CCCc3cc([N+]([O-])=O)cc1c23	10297
+c1c(OC)ccc(c1F)NN	427
+n1[nH]c2c(ccc(c2)Br)c1C=O	3135
+c12cc(ccc1[nH]nc2C=O)Br	3135
+c1(c([N+]([O-])=O)cc2NC(CCc2c1)=O)OC	2026
+c1cc(ccc1)-c2cc3c(c(O)nnn3)s2	10298
+c1cc(ccc1)CNC2CCc3ccc(O)cc3C=C2	956
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3ccc4[nH]nc(S(=O)(=O)c5c6c(ccc5)cccc6)c4c3	1025
+c1cc(ccc1N=Nc2ccc(cc2)O)CO	725
+c1cc(ccc1-c2c(nc(N)nc2COCc3ccccc3)N)O	956
+c1cc(ccc1-c2cn3c(ccc(c3)I)n2)NN	427
+c1cc(ccc1NN)-c2cnco2	427
+c1cc(ccc1F)C(C(c2ccnc(Cl)c2)=NO)=O	10299
+c1cc(ccc1C)N(N=O)CCc2ccc(nc2)Cl	2708
+c1cc(ccc1C)S(=O)(=O)OCCCOc2ccc3c(c2)c(n[nH]3)S(=O)(=O)c4cccc5ccccc45	1025
+c1cc(ccc1CN2C(=O)N(C(N)=C(C2=O)N=O)C)OC	863
+c1cc(ccc1CN2CCC(CC2)n3c4c(nc3C)cccc4)-c5nc6nn[nH]c6cc5-c7ccccc7	10300
+c1cc(ccc1O)C23CC2CN(C3)C(C)=O	606
+c1cc(ccc1F)S(=O)(=O)c2ccc(cc2)NN	427
+c1cc(ccc1S(=O)(=O)n2ccc3c2C(=O)N(C=C3c4ccc5c([nH]nn5)c4Oc6ccc(F)cc6F)C)C	1714
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(=O)C(C(=O)CBr)=NO)=O	10301
+c1c2c(ccc1)c([N+](=O)[O-])cnc2O	10302
+S(CCOc1ccccc1NN)C	427
+c1ccccc1COc2c(cc(cc2)F)NN	427
+c1ccccc1COc2c(cc(nc2)C(=O)N=[N+]=[N-])O	2279
+c1cc(ccc1)Oc2cccc(c2O)C	956
+c1ccccc1S(=O)(=O)c2c3c([nH]n2)ccc(OCCOS(=O)(=O)c4ccc(cc4)C)c3	1025
+n1c(SC)nc(c(N=O)c1N)O	10303
+c12[nH]nnc1cc(Cl)nc2	10304
+c1cnc(Cl)c2n1nnn2	10305
+O=S(Cc1c(F)cccc1Cl)c2[nH]c3c(cncc3)n2	3136
+[N-]=[N+]=NCc1ccc([n+](c1)[O-])C	341
+c1(C)cc([n+](cc1[N+](=O)[O-])[O-])Cl	341
+c1c(c(ccc1C(=O)O)-n2cc(nc2)C)OC	10306
+c1(C=O)cccc(OCCS(=O)C)c1	2978
+c1(Cl)c(ccc(CO)c1)-c2cc(ccc2)C(=O)N	216
+Oc1c(F)cc(cc1O)Br	2286
+c1(OC)cc(cc(OC)c1OC)Nc2ccc(C(=O)N)c(NC(COC)C)c2	216
+c12c(ccc(c1O)F)ccc(n2)OC	10307
+Nc1c(cc(cc1[N+]([O-])=O)F)C(=O)O	4555
+c1c(c(O)c(Cl)cc1)CCCO	347
+c1c(cc(C)c(CCO)c1)Br	1709
+c1c(cc(cc1)CCCBr)C(=O)N	216
+c1c(cc2[nH]cc(c2c1)CC(N)=O)Br	527
+c1c(ncc(c1)N2CC(CC2)O)C(=O)N	1200
+c1c2NC(CCc2cc(c1)Nc3nc(NC(CC)C(N)=O)cnc3C(=O)N)=O	1198
+c1c2c([nH]cc2CC(C(N)=O)Nc3ccc(c(Nc4cc(ns4)C)c3)C(N)=O)ccc1	216
+c1(c(F)c(cc2CCCOc12)O)F	1991
+c1[n+]([O-])cc2cccc([N+]([O-])=O)c2c1	341
+c1cc(cc(Br)c1Oc2ncc(C=O)cc2)C(=O)N	216
+O=S(=O)(c1ccc(cc1)-c2ccccc2)C(F)F	902
+c1ccccc1C(CCO)(O)CCCl	347
+c1cc(ccc1OC)C(C)C(=O)O	2263
+c1cc(ccc1C2C(CC(=O)C2)C(=O)O)Cl	2263
+c1ccccc1CCOCCCO	347
+c1cc(ccc1)COCC(F)(F)CCCO	347
+c1cc(ccc1)COc2cccc(C(OCC)=O)c2CCCO	347
+c1cc(ccc1)COc2c(ccc(C3=C(C(=O)c4ccccc4O3)O)c2)OCc5ccccc5	10308
+c1cc(ccc1)COc2cccc(c2)C3CN(c4cccc(C(N)=O)c4)C(C3)=O	216
+c1cc(ccc1)Cn2c3c(c(C=NOCCCO)c2)cccc3	347
+c1cc(ccc1)Oc2ccc(cc2-c3c(nccc3)OC)C(=O)N	216
+c1cc(ccc1)S(=O)(=O)N(CC(c2cccc(Cl)c2)CCCO)C	347
+c1cc(ccc1-c2cc(C(=O)N)nc3c2ccc(CN4C(CN(C)C4=O)=O)c3)F	1200
+c1cc(ccc1-c2c3c(cc(cc3)Cn4cc(C=O)cn4)nc(C(=O)N)c2)F	1200
+c1cc(ccc1-c2cc3c(c[nH]c3cc2)C(N)=O)Br	745
+c1cc(ccc1-c2ncc(cc2)C(=O)N)Cl	745
+c1cc(ccc1-c2c[n+]([O-])ccc2)C(OC)=O	341
+c1cc(ccc1-c2cn3cc(CCO)c(C)cc3n2)N(C)C	10309
+c1cc(ccc1-n2c(CC)nc3c2cc(c(C(N)=O)c3)Cl)CCO	216
+c1cc(ccc1Br)CCCO	347
+c1cc(ccc1OC(C(=O)OC)C)OC(=O)C	10310
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(N3CCCC(c4ccccc34)CO)=O	2938
+c1cc(ccc1C2CCCC2=O)F	10311
+c1cc(ccc1C2C(C2)CCO)Br	347
+c1cc(ccc1C(=O)N)CCN=[N+]=[N-]	216
+CC(C)NC(C)(C(CCCO)c1cc(Cl)ccc1)c2ccc(cc2)Cl	347
+c1cc(ccc1Cl)Cc2[n+](cccc2)[O-]	341
+c1cc(ccc1F)-c2csc3c2c(ncn3)CCCCO	347
+c1cc(ccc1F)-c2nc(n(c2-c3cc(ncc3)NCC(O)C)C)S(=O)C	3136
+c1c(cc(c(F)c1)O)Br	1991
+c1cc(ccc1F)C(=O)N2c3ccccc3C=CC2C(N)=O	10312
+c1cc(ccc1F)C(C)Nc2c(C(N)=O)cc(c(Nc3[nH]nc(c3)C4CC4)n2)F	745
+c1cc(ccc1NC(c2ccc([n+](c2)[O-])Cl)=O)F	341
+c1cc(ccc1N2C(=O)OC(CNC(c3ccc(s3)Cl)=O)C2)N4CCOC(C4=O)CCCO	347
+c1cc(ccc1NC(=O)C2=C(CCC2)c3cccc(C(N)=O)c3)N4C(=O)CCCC4	216
+c1cc(ccc1NS(=O)(=O)C)C(NCCN2CCS(CC2)=O)=O	2978
+c1cc(ccc1-c2nc(CCCO)c(C)o2)OC	347
+c1cc(ccc1S(=O)(=O)n2c3ccc(cc3c(C4C(CCO)C4)c2)C#N)C	347
+O=S(=O)(CCCCl)c1ccc(cc1)Cl	902
+O=S(=O)(c1c(cccc1)Br)c2ccc(cc2)CO	10313
+c1cc(ccc1)S(c2ccc(cc2)OC3CCCC3)=O	10314
+c1cc(ccc1[N+](=O)[O-])-c2nc(S(=O)C)[nH]c2	3136
+c1ccccc1C2(c3ccccc3)C(N(CC)CC2CCO)=O	347
+C(CC(CO)C(O)=O)CCC=C	2263
+c1ccccc1CCCCOCCCO	347
+c1ccccc1CN(Cc2ccccc2)CCCC(=O)N	527
+c1ccccc1COC(=O)c2ccc(c(NC3CCCCC3)c2)C(N)=O	216
+c1cc(ccc1)COC(NC2C(NC(OCc3ccccc3)=O)CCC(O)C2)=O	4091
+c1ccccc1COC2C(Nc3cc(ccc3C(N)=O)-n4c5CC(C)(C)CC(c5c(CC)n4)=O)CCCC2	216
+c1ccccc1COc2cc(O)ccc2OC	2286
+c1ccccc1COc2cc(ccc2C3CN(c4cccc(C(N)=O)c4)C(=O)C3)OC	216
+c1ccccc1Cc2[n+]([O-])cccc2	341
+c1cc(cc[n+]1[O-])CCC	341
+c12c(cc3CCCc3c1)[N+](=O)N=C(NCCN(C)CCCOC)N2[O-]	10315
+n1cccnc1-c2cc(ccc2)Nc3nc(cnc3C(N)=O)NC4CCCCC4N	1198
+OP(O)(c1cc(ccc1)N)=O	0
+c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2	42
+c1(cc(cc(Cl)c1Oc2ccc(c(C(O)=O)c2)OC)COC)Cl	1182
+c1(c(c(ccc1C(=O)O)OC)F)O	1182
+c1cc(ccc1-c2cc3c([nH]cc3C(O)=O)cc2Cl)C4CCN(C(=O)OC)C4	2038
+c1cc(ccc1-c2nc(CCCC)n(Cc3ccc(cc3)-c4c(C#N)cccc4)c2C(=O)O)F	10316
+c1cc(ccc1)COc2c(cccc2C(O)=O)Cc3c(OC)c(c(OC)c(OC)c3C)OC	1182
+c1ccccc1COc2c3nc(C)cc(c3ccc2)C(=O)O	1182
+Nc1cccc(C(CNCC(OC)=O)=O)c1O	0
+c12OCOc1cc3C4(C(N(CC(=O)OCC)c5c4cccc5)=O)COc3c2	20
+c1cc(ccc1)COC(Cc2ccccc2O)=O	283
+c1ccc(cc1CCO)CNCc2ccccc2O	95
+c1ccccc1COc2cc(ccc2O)CC(OCC)=O	22
+c1cc(ccc1NC(CCc2ccc(c(c2)O)O)=O)C(=O)OC	33
+c1(nccc(Oc2c(c(Cl)c(cc2)N)Cl)n1)Cl	185
+O(C)Cc1cc(c(c(O)n1)[N+]([O-])=O)O	10317
+c1c2c(C3(C(N(CCCCC)c4ccccc34)=O)CO2)cc(c1)F	20
+c1cc(ccc1I)COc2ccc(c(O)c2Cl)C(=O)C	22
+c1cc(ccc1COc2ccc(c(O)c2Cl)C(=O)C)C(c3cc(ccc3)C#N)OC4OCCCC4	20
+Nc1c(c(O)c(cc1)C(=O)C)C	0
+c1cc(ccc1C=CCCCCOc2c(O)cc(cc2)C(=O)CCCC(OC)=O)OC	8
+c1cc(ccc1COc2ccc(cc2O)C(c3c4ccccc4n(CCCC(=O)OCC)c3)=O)C	22
+c1c2c(nc(-c3cc(Br)c(C)cc3)o2)ccc1	3137
+c1c2c(nc(-c3cc(OC)c(cc3)C)o2)ccc1	3137
+c1c(Oc2c(OC)cccc2)c([N+](=O)[O-])cc(F)c1NC(=O)C	46
+c1cc(ccc1OCCCCc2ccc(cc2)F)C=Cc3cccc(C(C)=O)c3O	914
+c12nc(C)ccc1nccc2O	10318
+c1cc(ccc1OC)-c2nc(CCCOc3ccc(CC(OCC)C(=O)OCC)c4CCCCc34)c(o2)C	126
+Oc1c2ccc(N)cc2nc(n1)Cc3ccc(c(Cl)c3)Cl	0
+Oc1c2c(nc(-c3cc(O)ccc3)n1)cccc2	5
+c1cc(ccc1)COC(Nc2ccc3c(c2)nc(Cc4cc(c(cc4)Cl)Cl)nc3O)=O	90
+Cc1nc(c2c(cccc2)c1[N+]([O-])=O)O	475
+c1cc(ccc1)COc2cc(cc(c2)O)C	22
+c1ccccc1COc2c(O)cc(C=O)cc2	22
+c1ccccc1CCOc2c(O)cc(cc2)C=O	8
+c1c2c(C(c3c(O)ccc(F)c3)C(N2CCCCC)=O)ccc1	462
+c1cc(ccc1OCCOc2cc3CCCCc3cc2)C=O	8
+Oc1cccc(O)c1NC(=O)c2ccccc2	50
+c1c(Br)c(Oc2cc(ccc2[N+]([O-])=O)C#N)ccc1	46
+Oc1ccccc1C(CN)O	157
+c1cc(ccc1)CN2C(CCC)=Nc3nc4ccccc4cc3C2=O	10319
+C1CN(CCN1Cc2nc3c(cccc3)c(O)n2)Cc4ccccc4	894
+c1cc(ccc1CN2c3cc(Br)cnc3C=CC2=O)OC	10320
+Cc1c(COc2ncc(cc2)C(=O)OC)c(no1)-c3ccncn3	2055
+c1(c(C(N)=S)cncc1)C	4989
+C(c1ccc(c(c1)CCC)OCCCOc2ccc3c(c2)ccn3CC(=O)OC)(=S)N	1855
+c1cccc2c1-n3cnc(C(N)=S)c3CN(C)C2=O	4802
+CC(n1ccc2cc(ccc12)OCCCOc3ncc(cc3)C(=S)N)C(=O)OC	4989
+S(C)(Cc1cccc(N)c1)(=O)=NC(OCC)=O	0
+S(C)(c1cccc(C(=O)O)c1)(=O)=NC(c2cncc(c2)C#Cc3cccc(c3)NC(=O)c4n(nc(C)c4)C)=O	1
+N#CC(C#N)=C(SC)Nc1ccccc1	10321
+O=Cc1nc(cc(c1)CCCSC)C(=O)OC	178
+S(C)c1cc(c(Cl)cc1N)OC	0
+S(c1cc(ccc1CN)F)C	162
+S(C)c1ccc(N)cc1Cl	0
+c1ccccc1NS(=O)(=O)c2cc(c(cc2)Oc3cc(c(SC)cc3)C)C#N	46
+C(c1ccc(SC)c(Cl)c1)C(=O)O	10322
+S(C)c1nnc(CCCC=O)n1C	24
+O=Cc1c(SCC#C)cccc1	39
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CSCCCCCCCCCCCCCCCC)O	604
+CCc1cc(cc(SCC)n1)Br	10323
+c1ccc(OCCSC)c(N)c1	0
+O=S(=O)(c1cc(c2nnc(c(c2c1)Cl)C(N)=O)C)C	593
+O=S(=O)(c1cc(C(=O)O)c(Cl)cc1)C	593
+O=S(=O)(C)c1ccc(O)cc1F	593
+O=S(=O)(C)c1cnc(cc1)Cl	10324
+O=S(=O)(C)c1c(-c2c(C)c(Cl)c3c(cc(cc3F)F)n2)cccc1	593
+O=S1(=O)CCc2cc(C(=O)O)sc12	10325
+O=S(=O)(C)c1nc(-c2cc(ncc2)Cl)cc(C)n1	528
+O=S(=O)(c1cc(F)c(cc1Br)F)C	593
+O=S(=O)(C)c1nc(N)c(c(NC(c2c(-c3ccnn3C)cc4c(ccn4C)n2)C)n1)C#N	528
+O=S(=O)(C)c1nc(N)c(c(n1)NC(C)c2nc3ccn(C)c3cc2-c4cscn4)C#N	528
+O=S(=O)(Cc1c(cc(c(c1)Br)OC)F)C	991
+c12-c3c(cccc3)C(c1cccc2)COC(=O)NC(C)c4cc5cccc(Cl)c5c(C(O)=O)n4	2634
+O=S(=O)(c1c(cc(Br)cc1)F)C	593
+Clc1c2c(ccc(O)c2)ccn1	10326
+c1cc(ccc1)C(c2ccccc2)CNc3nc(S(=O)(=O)C)nc4n(C5OCCCC5)cnc34	528
+O=S(=O)(c1ccc2CCCC(=O)c2c1)c3ccccc3	4990
+O=S(=O)(Cc1n(CCCCc2ccc(cc2)O)ccn1)C	991
+O=S(=O)(C)c1ccc2n(c(C)c(Oc3ccc(cc3)Cl)c2c1)CC(OC)=O	593
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4nc(ncc4)S(=O)(=O)C)C	528
+c1cc(ccc1F)Nc2nc(nc(CCO)c2)S(=O)(=O)C	528
+O=S(=O)(c1ccc(cc1)OC)c2c(cc(cc2Cl)Nc3nnc(N)[nH]3)Cl	4990
+c1cc(ccc1S(=O)(=O)C)C#N	593
+O=S(=O)(c1ccc(cc1)O)CC	593
+c1ccccc1-c2c(-c3nc(S(=O)(=O)C)ncc3)nc(s2)N	528
+O=S(=O)(C)c1nc(C=C2SC(=O)NC2=O)ccn1	528
+CC(SSc1ccccn1)CO	10327
+c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1	162
+c1ccccc1-c2c(cccc2Cl)SC	134
+S(c1c(cc(cc1)C)C(=O)O)c2csc3ccccc23	1
+S(c1c2c(nc(c1)C=O)c3c(c(OC)c2)cccn3)C	178
+S(c1cc(Oc2c(nccc2)CC)c(N)nc1)c3ccccn3	1779
+S(c1cc(ccc1CNC(c2c(O)c3ncccc3c(n2)C(=O)OC)=O)F)C	658
+S(c1cc(ccc1CNC(c2c(O)c3ncccc3c(C(=O)O)n2)=O)F)C	1
+S(c1ccc(CN)c(F)c1)C	107
+c1cc(ccc1Br)C(=O)Cc2ccc(SC)c(F)c2	10328
+S(c1ccc2OCCC(c2c1)(CC=O)C)C	24
+c1c2c(NCc3ccc4OCOc4c3)ncnc2ccc1SC	40
+c1cnccc1OCCSc2nc3nc(cc(n3n2)C)C	1175
+c1cc(ccc1F)CNC(C2=CN3C(S2)=C(C(=O)NC3=O)C)=O	10329
+C1N(c2c(S1)cccc2)C(=O)c3cc(c(OC)c(Cl)c3)I	448
+Nc1ccc2c(C(Nc3c(cccc3)S2)=S)c1	3120
+c1c2CCCC(Nc2ccc1)=S	2718
+Clc1cc2c(cc1)NC(c3ccccc3N2)=S	3120
+c1cc(ccc1-c2nnc(S)cc2)Cl	10330
+c1cc(ccc1-c2nnc(-c3ccc(cc3)C(OC)=O)s2)N4CCC(CC4)(CCCC)OC	10331
+c1c2ccccc2cc(C=3N(C)C(=S)NN=3)c1	10332
+c1cc(ccc1-c2nc(-c3c(cccc3)Cl)sc2)C#N	1741
+c1cc(ccc1-c2c(nc(-c3c(Cl)cccc3)s2)-c4ccc(cc4)C)SC	10333
+c1ccccc1-c2nc(sc2)-c3ccccc3[N+]([O-])=O	1741
+Fc1cc(OCCSc2nc3nc(C)cc(C)n3n2)ccc1Cl	2425
+c1ccccc1C2Sc3nnc(C)n3N=C2c4ccc5OCC(Nc5c4)=O	10334
+c1cc(ccc1)CC(O)C=CC2CCC(=O)N2CCCCSc3nnnn3C	10335
+c1(c(c(ccc1C)Cl)Nc2ccccc2C3=NNC(=S)O3)Cl	1770
+c12cnccc1CCc3ccccc3C2N=C=S	985
+c1c2c(ccn1)NC(N2)=S	10336
+c1(ccc2c(c1)NC(=S)N2)C	1357
+c1cc(ccc1-c2c(F)cc3c(NC(=S)N3)c2)-c4ccccc4	1357
+c1cc(ccc1C(c2ccc(cc2)OC)(c3ccccc3)OCc4cccc(CN=C=S)c4)OC	985
+C1CN(CCC1Nc2n(Cc3ccc(cc3)F)c4c(cccc4)n2)CCN=C=S	985
+c1cc(ccc1C=2OC(=S)NN=2)NC(=O)c3c(cccc3)F	1770
+c1ccccc1Oc2c(cccc2)C=3OC(NN=3)=S	1770
+N1C(=S)N2C=C(c3cnn(C)c3)C=C(C2=N1)F	10337
+N1c2cc(F)c(cc2NC1=S)-n3ccnc3	1357
+c1(C)nc(Cl)cc(CSC)c1	1672
+Brc1cccnc1SC	1272
+Clc1c(SC)ncc(C(=O)C)c1	1272
+S(C)c1ccc([N+]([O-])=O)cc1Cl	411
+C(c1cccc([N+]([O-])=O)c1)SC	1672
+c12c(cc(cc1)-c3cnc(cc3C)SC)cnc(N)c2	3482
+O=C(SC)c1cc(ccc1)C#C	10338
+S(c1cc(CO)nc2c1cc(c3c2nccc3)OC)C	1275
+c1nc2ccc(SC)cc2nc1O	2039
+c1(C=O)ccc(SC)c(F)c1	411
+c1cc(ccc1)-c2c(c(C(NC(CC)c3ccccc3)=O)c4ccccc4n2)CSC	4218
+c1cc(ccc1)C(c2ccccc2)CNc3c4c(nc(SC)n3)n(C5OCCCC5)cn4	1721
+c1cc(ccc1)Oc2c3c(c(c(n2)C)C)n(c(C)n3)CCCCCSC	1105
+c1cc(ccc1S)Oc2ccccc2	10339
+c1cc(ccc1CCSC)CCNc2c(c(CC)ncn2)C(OCC)=O	786
+c1cc(ccc1Cl)Nc2nc(SC)nc3n(CC)cnc23	1721
+c1cc(CSC)ncc1Br	3446
+C(C)OC(=O)c1cc2sc(nc2cc1)SC	10340
+c1c(Cl)ncnc1SC	2147
+Nc1nc2ccc(Cl)nc2s1	2153
+S(CC(c1c(c(F)ccc1)F)=O)C#N	4991
+c1ccc(C(=O)N=C=S)cc1C#N	10341
+NC(=S)Nc1cccc(C)c1	10342
+Nc1sc2c(n1)cc(c(OC)c2)Br	10343
+c1(C)cc2nc(N)sc2cc1OC	821
+c1ccccc1-c2cc(cc(-c3ccccc3)c2O)SC#N	2871
+c1cc(ccc1-c2ccc3nnc(n3c2)Sc4cc5c(cc4)nc(N)s5)F	821
+c1cc(ccc1C(CSC#N)=O)Br	4991
+C1CC2CCN1CC2Oc3nnc(-c4cc5sc(N)nc5cc4)cc3	821
+Nc1sc2cc(C#N)ccc2n1	821
+CC(C)(c1cccc(C(Nc2cc(ccc2C)Oc3ccc4nc(N)sc4c3)=O)c1)C#N	821
+n1cc(Sc2cc3sc(N)nc3cc2)n4c1nccc4	821
+c1ccccc1OCC(N2CCC(CC2)Cc3ccccc3)C(c4cc5sc(nc5cc4)N)O	821
+Nc1nc2ccc(OC)nc2s1	2153
+c1cc(ccc1[N+]([O-])=O)COC(=O)N2C(COCC(N)=O)CC(SC(C)=O)C2	4943
+c1cc(C(=O)OC)cc2OC(=S)Nc12	2872
+c1c2c(OC(=S)N2)cc(c1)O	2872
+c1c(OC)c(OC)cc2c1nc3sc(c(c3c2)N)C(=O)N	10344
+c1ccccc1COCC(Cc2nc(c3c(c(sc3n2)C(N)=O)N)-c4ccc(c(Cl)c4)Cl)C	3771
+c1(O)c2c(ncc(c2)[N+](=O)[O-])sc1C(=O)OC	10345
+c12nnc3CCCCc3c1c(N)c(C(=O)OC)s2	10346
+c1c(C(=O)OC)sc2c(F)ccc(OC)c12	1425
+c1c(cc2OCCc3c(sc(c3)C(=O)OC)-c2c1)Br	10347
+c1cc(ccc1OC)Sc2c3c(ccc2)sc(C(OC)=O)c3	4931
+C1CSC2(S1)c3c(c(Br)cc(c3CCC2)C)C	10348
+OCC(CC)CSc1ccccc1OC	3138
+c1nc2ccc(SCCCSc3ccnc(CSc4nccc(n4)C)c3C)nn2c1[N+]([O-])=O	4992
+Clc1c([N+]([O-])=O)cc(C)c(c1)C#N	2223
+C(c1c(c(Cl)ccc1)C#N)(=O)OC	180
+c1(C)c(C#N)ncc(CO)c1	10349
+c1(c(NC(C)=O)ccc(C#N)c1F)C	180
+COc1ccc(CC(OC)=O)c(C#N)c1	180
+COc1cc(ccc1C#N)F	180
+c1cc2CCN(CCc2cc1C#N)C(C)=O	2223
+c12c(Cl)cc(C#N)cc1C(OC(c3cc(Cl)nn3-c4c(Cl)cccn4)=N2)=O	1942
+c1cc2-c3ccc(C#N)cc3C(c2cc1Br)=O	180
+c1(ccc(cc1C#N)C(=O)OC)O	180
+c1cc(C)n(c1C)-c2cc(C)cc(CCc3cc(cc(Br)c3)C#N)n2	180
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)C#N	2223
+C(c1cc(C#N)ccc1N)C#N	180
+[nH]1c2cc(C#N)ccc2c(Sc3cc(ccc3)C(=O)OC)c1C	4993
+[nH]1c(c(c2cc(C#N)ccc12)C)-c3cnccc3	180
+O=C1C=Cc2ccc(C#N)cc2N1CC(OC)=O	180
+c1[nH]c2c(cc(C#N)cc2)c1CC(OC)=O	180
+C(C)OC(c1cc2c(ccc(C#N)c2)[nH]1)=O	180
+c12ccc(Cl)nc1ccc(C#N)c2	180
+c1c2c(nc(c1)O)cc(C#N)cc2	4993
+c1(NC(C)=O)ccc(cc1C#N)CCCC	180
+c1cc(ccc1)-c2ccc(C#N)cc2F	180
+c1cc(ccc1)Oc2cccc3c2c(O)c(nc3C#N)C(OC)=O	942
+c1cc(ccc1C#N)-c2nc3n(cc(cc3)C)c2	180
+c1cc(ccc1-c2ccc(cc2)C=O)C#N	180
+c1cc(ccc1C(OC)OC)-c2nc(-c3cc(C#N)c(OC(C)C)cc3)no2	180
+c1ccccc1CN2C(=O)C3C(Cc4ccc(cc4)C#N)N(C(C)(C)C3C2=O)C	180
+O=S1(=O)N=C(C2=C(C3C(N(Cc4ccc(cc4)F)C2=O)C5CCC3C5)O)Nc6ccc(C#N)cc16	10350
+c1cc(ccc1O)C(=C(CC)c2ccccc2)c3cc(C#N)c(OCCNC)cc3	180
+c1cc(ccc1Oc2cc3c(c(nc(C(OCCCC)=O)c3O)C#N)cc2)OCCC	942
+c1cc(ccc1Oc2c3c(ccc2)c(c(nc3C#N)C(=O)OC)O)OC	942
+n1c2c(c(O)nc1CCCC)cc(C#N)cc2	1942
+c1ccc2c(c1)C(=O)N(C2=O)C3CC(c4c(F)cc(c(c4)F)C#N)CC3	180
+c1ccccc1C2(CN(C(C)=O)c3cc(C#N)ccc23)C	180
+c1cc(ccc1)Oc2c3c(ccc2)c(c(C(=O)OC)nc3C#N)OC	942
+c1cnccc1-c2nc(C#N)c(nc2-c3ccco3)N	10351
+c1([N+]([O-])=O)ccc2[nH]nc(c2c1)C#N	10352
+c1(c2c(ccc(c2)Oc3ccc4ccccc4c3)c(O)c(C(=O)OC)n1)C#N	10353
+n1cc(cnc1N2CCC(CC2)O)C#N	10354
+c1cc(ccc1-c2ocnc2C(=O)OC)C#N	10355
+c1c(CC)c(c(cc1-c2ccc(cc2)Cl)CC)Br	1078
+c1cc(ccc1-c2oc3c(cc(c(N(S(=O)(=O)C)c4ccc(c(c4)CCO)Br)c3)C5CC5)c2C(NC)=O)F	1078
+c1c(cccc1OC)Oc2c(Cl)cc(F)c(Br)c2	1030
+c1cc(ccc1Oc2cc(Br)c(cc2Cl)F)OC	1030
+c1ccccc1C(=O)Nc2ccc(cc2)CN3C(=O)C(=CC3)CCC(NO[K])=O	909
+c1(ccc(C(C(C)=O)CC=C)cc1Cl)Cl	2555
+c1(nc(nc(OC)c1)NC(NS(=O)(=O)c2c(cccc2)C(C)=O)=O)OC	3139
+c1c(cc(c(N)c1)C(=O)C)Br	3139
+CC(=O)c1ccc(OC)c(N(CCC)c2nc(-c3c(cc(cc3)OC)Cl)c(C)s2)c1	3139
+c1cc(ccc1)-c2c(sc(C(C)=O)c2)C	4994
+c1cc(ccc1N2C(CC)=NC(CCC)=C(C2=O)Cc3ccc(cc3)-c4ccccc4C#N)C(C)(C)O	3129
+c1cc(ccc1C(C)(C)O)OC	3129
+c1ccccc1-c2cc(C(C)=O)sc2CC	4994
+c1cc(ccc1)COC(NC2C(NC(=O)OCc3ccccc3)CC(O)(C)CC2)=O	2799
+c1(c(Br)cccc1N2N=C(C(=O)C)C(=O)C(=C2)OC)F	1183
+c1cc(N2N=C(C(=O)C)C(=O)C(=C2)OC)c(F)cc1I	1183
+c1cc(ccc1-n2nc(cc2-c3ccc(cc3)Cl)CCC(C)(C)O)OC	3893
+c1cc(ccc1CC2(CCN(CC2)C(=O)C3CN(Cc4ccccc4)c5cc(c(C(C)O)cc5O3)Cl)C#N)F	4932
+c1ccccc1COc2cc(c(cc2)N3C=C(C(C(=N3)C(C)=O)=O)OC)F	1183
+Cc1cc(cc(C)c1CC(=O)C)Br	591
+C(C)(c1ccc(C)c(F)c1)O	449
+n1ccc2cccc(c2c1)C(=O)C	1024
+CC(C)(c1cc2c(C(CCC2)C)cc1OC)O	1033
+CC(C)(Cc1cccc(Br)c1)O	736
+OC(c1ccncc1Br)C	449
+c1c(Br)c(ccc1)OC(C(=O)C)CCC	591
+c1(Cl)cc(cc(Cl)n1)C(C)=O	1024
+c1c(F)c(c(cc1)F)-c2c3c([nH]c4c3CCC(C(=O)C)C4)c(C(=O)N)cc2	591
+c1cc(cc(c1)F)-n2c(cc3c(Cl)cccc23)C(C)=O	3140
+c1cc(c(Cl)nc1Cl)C(=O)C	10356
+c1cc(cc(c1)F)-n2c(C(=O)C)c(c3ccccc23)C#N	3140
+c1cc(ccc1)C2(CC(C2)C)c3c(C(O)C)ccc(OCc4ccc5cc(ccc5n4)F)c3	449
+C1CC(CCO1)(c2cc(OCc3ccccc3)cc(F)c2)C(C)O	684
+c1cc(ccc1)Cc2cc3c(cc2)oc(-c4c(cc(cc4)C(C)O)F)c3	449
+c1cc(ccc1-c2ccc(OC)c(c2)C(O)C)C#N	449
+c1cc(ccc1-c2nc3n(c2)cc(-c4c(F)ccc(C(C)O)c4)cc3)Cl	449
+c1cc(ccc1-c2nc3ccc(cn3c2)I)C(C)O	449
+c1cc(ccc1-n2c(cc(CCC(C)O)n2)-c3ccc(cc3)Cl)OC	684
+c1cc(ccc1C(C)(C)O)Br	1033
+c1cc(ccc1C(N2CC(C(=O)C)CC2=O)C)OC	591
+c1cc(ccc1)C(C(=O)C)Cc2ccc(cc2)Cl	591
+C1CC(CCC1OCC(=O)C)N2C(C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)n5ncnc25)=O	591
+c1(cccc(c1OCC=C)OCC=C)C(C)O	449
+C1CCCc2c(cccc2)C1(O)C	1033
+c1ccccc1C(O)(c2ccc(c(Cl)c2)Br)C	4995
+c1cc(ccc1)C(C(C)(C)C(C)O)c2ccc3n(-c4ccc(cc4)F)ncc3c2	684
+c1cc(ccc1)C(O)(c2ccc3c(cco3)c2)C	4995
+c1cc(ccc1)C2(CC(N(CC2)C(c3ccc(cc3)Br)C)=O)CC(C)(C)O	736
+c1ccccc1CN2C(C)COC(CC(O)C)(C)C2=O	684
+n1c(c(C(C)O)cc2c(Cl)cccc12)-c3cc(ccc3)F	2129
+n1ccnn1-c2c(C(=O)N3C(CCC(C(C)=O)C3)C)cccc2	591
+n1n(C)c(CC)cc1C(=O)C	3140
+c1(cc(C(CCCCCC)O)ccc1)Br	758
+c12c3c(cccc3)ncc1nc(CCC)n2CCCC(CCCCCC)=O	2851
+[N-]=[N+]=NC1CCc2c(C1)c(NC(C)=O)c(cc2Br)[N+]([O-])=O	31
+c1(F)c(cc[n+]([O-])c1C)[N+](=O)[O-]	2296
+c1(Cl)cc(C(=O)OC)c(OC)c(c1NC(C)=O)[N+]([O-])=O	31
+O(CC)C(C(C)c1cc2c(ccc([N+]([O-])=O)c2)[nH]1)=O	31
+c1(C)c(F)cc([N+]([O-])=O)c(NC(C)=O)c1	31
+c1([N+]([O-])=O)cc(C)c(NC(C)=O)cc1F	77
+c1(C)c(c(C)c([n+](c1)[O-])C)[N+]([O-])=O	2296
+Clc1c(C(=O)O)cc(F)c(C)c1[N+](=O)[O-]	77
+c1c(C)c(c(cc1-c2c(C)c3c([nH]2)ccc(c3)[N+](=O)[O-])C)O	31
+c1(C)cc(cc(C)n1)CCc2ccc(cc2)[N+]([O-])=O	77
+Cc1c(c(cc(C)n1)O)[N+]([O-])=O	475
+C(n1c(-c2c(c(ccc2C)[N+]([O-])=O)C)nc(c1Cl)Cl)CCC	31
+c1c([N+]([O-])=O)c(O)c(Cl)cc1C=O	31
+c1(c(CCCl)cc(c(O)c1[N+](=O)[O-])Cl)F	31
+c1(O)c(Cl)cc(c(N2N=NN(CCCF)C2=O)c1[N+]([O-])=O)F	31
+c1(F)c2c([nH]cc2[N+](=O)[O-])ncc1OCC	3141
+c1(cc(c(cc1Br)[N+]([O-])=O)O)F	31
+c1(F)c2c([nH]cc2[N+](=O)[O-])ncc1Br	3141
+c1(F)c2c([nH]cc2[N+](=O)[O-])ncc1Cl	3141
+c1(cc(cc(F)c1[N+](=O)[O-])O)F	31
+c1cc([N+]([O-])=O)c(cc1CC(OC)=O)F	31
+Nc1cc(ncc1[N+](=O)[O-])C(=O)OC	1026
+[N+](=O)(c1c([N+](=O)[O-])cc(c(C)c1)C(=O)O)[O-]	31
+[n+]1([O-])c(Cl)cc([N+]([O-])=O)cc1C	2296
+c1(c(ccc(c1[N+](=O)[O-])[N+]([O-])=O)Br)C	31
+[N+](c1cc(c(c(F)c1)F)C23C(C(CF)OC2)CSC(N)=N3)([O-])=O	31
+c1(O)c(C=O)cc([N+]([O-])=O)cc1F	31
+c1(c(cc([N+]([O-])=O)c(OC)c1OC(C)=O)C=O)Cl	31
+c1c([N+]([O-])=O)c(c(CC)c(c1F)F)F	77
+c1([N+](=O)[O-])c(Cl)c(cc2nc(c(OC)nc12)OC)Cl	4732
+c1(F)c(Br)cc(c([N+]([O-])=O)c1)C=O	31
+c1(c(F)c([N+](=O)[O-])c(Cl)c(C(=O)O)c1)C	31
+O=C(c1c(c(c(F)c([N+]([O-])=O)c1)F)F)O	31
+c1(C(=O)O)c(O)ncc(c1)[N+](=O)[O-]	1026
+c1(-c2ncccc2)n[nH]cc1[N+]([O-])=O	1733
+c1(oc2c(cc(c(O)c2[N+]([O-])=O)OC)c1)C(=O)OCC	10357
+O=C1OCCc2c(ccc([N+]([O-])=O)c2)N1C	77
+c1([N+]([O-])=O)ccc2N(C(Cc2c1)=O)C(CF)C	31
+[N+](c1cc2c(cc1)-c3ccc(cc3C2)CCC(=O)C)([O-])=O	77
+c1cc(ccc1C(NC2Cc3c(C2)cc(cc3)[N+]([O-])=O)=O)F	77
+[N+](c1cc(c2N(C(Cc2c1)=O)C)F)([O-])=O	31
+c1c([N+]([O-])=O)c(cc2c1N(O)C(C(=O)N2)=O)F	77
+c1cc(c(CC)c2c1NC(C2=O)=O)[N+]([O-])=O	31
+c1([N+]([O-])=O)c(F)ccc2cnccc12	31
+C(CC1CCc2cc([N+]([O-])=O)ccc2O1)C#N	31
+c1cncc2ccc(C)c([N+]([O-])=O)c12	31
+c1c(C)nc(cc1)-c2cc([N+]([O-])=O)cc(C)[n+]2[O-]	10358
+c1c(cc2ccc(OC)c([N+]([O-])=O)c2c1)Br	31
+c1(cc(OC)c(O)c([N+]([O-])=O)c1)C(=O)O	31
+c1c(C)c(c(cc1[N+](=O)[O-])C)NC(=O)OCCC	77
+c1(C)cc(cc(C)c1OC)[N+](=O)[O-]	31
+Cc1nc(OC)ccc1[N+]([O-])=O	475
+[N+](c1cc(COC(C)=O)c(c(F)c1)F)([O-])=O	31
+c1(ccc(Cl)c(c1Cl)CC#N)[N+]([O-])=O	77
+c1(cc(Cl)c(c(F)c1NC(C)=O)[N+]([O-])=O)F	31
+Oc1c(c(O)nc(COC)c1C(=O)OC)[N+]([O-])=O	475
+c1(cc(cc(OC)c1[N+]([O-])=O)Br)OC	77
+c1(c([N+]([O-])=O)cc2c(n(CC)c(I)c2C#N)c1)OC	77
+COc1cc(C(=O)OC)c([N+]([O-])=O)cc1OCC#C	31
+c1(ccc([N+]([O-])=O)cc1-c2nc(O)c3c(n2)c(CCC)ccn3)OCC	31
+COc1cc(C#N)c([N+]([O-])=O)cc1OCCOC	31
+COc1cc(C(=O)OC)c([N+]([O-])=O)cc1OCCOC	31
+[N+](c1cc([n+]([O-])c(C)c1)Br)([O-])=O	2296
+c1c(C#N)c(C)cc([N+]([O-])=O)c1O	77
+[N+](c1cc(c(c(F)c1)F)CC(=O)O)([O-])=O	77
+c1c(c(c(CC)c(c1)[N+]([O-])=O)[N+](=O)[O-])OC	31
+Clc1cc([N+]([O-])=O)c(O)cc1Cl	31
+c1(c(F)ccc([N+]([O-])=O)c1)-c2cc(C(=O)O)ccc2	77
+c1(C23C(CCSC(N)=N2)C3)c(F)ccc([N+]([O-])=O)c1	31
+COc1c(cc([N+]([O-])=O)c(C(=O)C)c1)CC	31
+c1c(C(CBr)=O)cc([N+]([O-])=O)c(c1OC)O	31
+[N+]([O-])(=O)c1c(cc(c(C(=O)O)c1)F)F	77
+[N+]([O-])(=O)c1cc(c(cc1F)Br)F	31
+Oc1c(cc(cc1Br)F)[N+]([O-])=O	31
+c1(C)cc(c([N+]([O-])=O)cc1F)Br	31
+c1([N+]([O-])=O)cc(C)c(Cl)cc1F	31
+c1(cc(Cl)c(cc1F)O)[N+]([O-])=O	31
+c1(c(NC=O)c(cc(c1)Br)[N+]([O-])=O)F	77
+c1c(cc2ncc([N+]([O-])=O)c(O)c2c1)Br	475
+[N+](c1cc(c(F)cc1F)CC(O)=O)([O-])=O	77
+c1c(OC)c(O)c([N+]([O-])=O)cc1C(=O)C	31
+CCc1c(Br)cc(c(N)n1)[N+](=O)[O-]	475
+c12ccc([N+]([O-])=O)cc1C(CCC23C(NC(CC3)=O)=O)=O	31
+c12CC3(N(C)C(=O)NC3=O)Cc1cc(N)c([N+]([O-])=O)c2	4996
+[N+](c1ccc2c(CCN(CC2)C(C)=O)c1)([O-])=O	31
+c1c(C(CCCCCl)=O)cc([N+]([O-])=O)c2OCCc12	77
+C1CC(=O)c2cc(Br)c(NC(C)=O)c([N+]([O-])=O)c12	31
+c12cc(Br)c(NC(C)=O)c([N+]([O-])=O)c1CCC2CCC(=O)O	31
+c12cc([N+]([O-])=O)ccc1CC2=O	77
+C1Cc2ccc([N+]([O-])=O)cc2NC1	77
+c1cc([N+]([O-])=O)cc2c1CCCCN2	31
+c12c(c(c(cn1)[N+]([O-])=O)O)cccc2	475
+[n+]1([O-])ccc(cc1CCC)[N+](=O)[O-]	10359
+c1(cc(C#N)c(Cl)cc1F)[N+]([O-])=O	31
+C1Cc2cc(c([N+]([O-])=O)cc2NC1)C	31
+c1cc(N2C(Nc3c(c(c(c(F)c23)F)[N+](=O)[O-])OC)=O)c(F)cc1I	31
+c1(F)c(F)cc(c([N+]([O-])=O)c1)O	77
+O(C(=O)OC)c1c(C)cc(c([N+]([O-])=O)c1)Br	77
+c1(cc(c(cc1F)C)Br)[N+]([O-])=O	31
+Cc1c(ccc([N+]([O-])=O)n1)O	3004
+c1(OC)c(OCc2c(F)c(ccc2OC)F)cc([N+](=O)[O-])c(c1)Cl	77
+c1([N+]([O-])=O)cc(c(Cl)cc1F)CC(=O)O	31
+c1([N+]([O-])=O)cc(cc(Br)c1OC)C#N	31
+c1([N+]([O-])=O)cc(OC(=O)OC)c(cc1F)CC	31
+c12C(=O)C(Nc1c(cc(c2)F)[N+]([O-])=O)=O	77
+c1cc(ccc1)-c2[nH]nc3cc(C)c([N+]([O-])=O)cc23	31
+c1cc(ccc1)-c2cc3c(cc2)c(c([N+](=O)[O-])cn3)O	475
+c1cc(ccc1)C(=O)Oc2ccc(c([N+]([O-])=O)c2)O	77
+c1cc(ccc1[N+]([O-])=O)C(C(O)=O)CC	77
+c1cc(ccc1C2CC(=O)N(C2C(OCC)=O)C)[N+]([O-])=O	31
+c1cc(ccc1CC(C(O)=O)N)[N+]([O-])=O	31
+c1cc(ccc1)COCC2CC(N(c3nn(cc3[N+](=O)[O-])C)C2)=O	4734
+c1ccccc1COc2c(cc(c([N+](=O)[O-])c2)Br)OC	77
+c1ccccc1COc2cc([N+](=O)[O-])c(cc2OC)C(C)=O	77
+c1cc(ccc1N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl)[N+](=O)[O-]	77
+c1cc(ccc1F)-c2oc3cc(c(Br)cc3c2C(=O)OC)[N+](=O)[O-]	2362
+c1(c(F)ccc(-c2nccc(OC)c2)c1)[N+]([O-])=O	4415
+CC(C)c1ccc(c(c1)[N+](=O)[O-])Br	31
+c1cc(ccc1C(=O)OCCCCO[N+](=O)[O-])[N+](=O)[O-]	10360
+c1c(ccc(N)c1[N+]([O-])=O)C(C)C(=O)O	31
+c1(ccc(C(=O)C)cc1[N+]([O-])=O)CC	31
+CC(C)c1c([N+](=O)[O-])cc(cc1)N	31
+C1CC1(c2cc([N+](=O)[O-])c(cc2)OC)C(=O)OC	77
+c1(c(F)ccc(c1)C2=C(C(NC2)=O)C)[N+]([O-])=O	31
+C1NC(=O)CC1c2ccc(Cl)c([N+]([O-])=O)c2	77
+c1c(cc(c(c1)CC)[N+]([O-])=O)Br	31
+C(c1ccc(CC)c([N+]([O-])=O)c1)(=O)O	31
+FC(F)Oc1n(nc(c1Cl)-c2cc([N+]([O-])=O)c(cc2)Cl)C	31
+Clc1c([N+]([O-])=O)cc(C(=O)c2ccccn2)cc1	77
+C1CCCCC1C(c2cc(c(cc2)Cl)[N+]([O-])=O)=O	31
+c1cc(ccc1-c2c(c3c(cc([N+](=O)[O-])c(Br)c3)o2)C(OCC)=O)F	2362
+C(C(c1ccc(c([N+]([O-])=O)c1)F)=O)CC(=O)O	31
+C1CCCCC1C(=O)c2ccc(F)c([N+](=O)[O-])c2	31
+c1cc(ccc1Cn2c(C(C)=O)cc(c2)[N+](=O)[O-])F	10361
+Nc1cc(c(cc1)CC)[N+]([O-])=O	31
+CC(C)C(=O)Nc1c(cc(cc1)C(=O)OCC)[N+](=O)[O-]	31
+C(c1ccc(c([N+]([O-])=O)c1)O)C(=O)O	31
+c1cc(c([N+]([O-])=O)cc1CCC)O	31
+C(CCCCCCCCCC)Cc1ccc(O)c(c1)[N+]([O-])=O	77
+n1c(NC)nc(Oc2ccc(c([N+]([O-])=O)c2)O)cc1	77
+c1cc(OC(C)=O)cc([N+]([O-])=O)c1OC	31
+c1cc(OC(OCC)=O)cc([N+]([O-])=O)c1OC	31
+Clc1cc(cc(Cl)c1Oc2ccc(c([N+](=O)[O-])c2)OC)N3C(=O)NC(C=N3)=O	77
+c1cc(ccc1C(OCC)=O)Oc2c(F)cc(F)c([N+]([O-])=O)c2	31
+c12c([nH]cc1)nccc2Oc3ccc(c([N+]([O-])=O)c3)O	31
+c1cc(ccc1S(=O)(=O)C)-c2cc([N+](=O)[O-])sc2-c3ccc(cc3)F	10362
+O=S(=O)(c1ccc(C)c(c1)[N+]([O-])=O)C	31
+O=S(=O)(Cl)c1cc(c(cc1)NC(=O)OCC)[N+](=O)[O-]	77
+c1cc(ccc1N=Nc2cc(c(O)c([N+]([O-])=O)c2)Cl)S(=O)(=O)F	31
+c1cc(ccc1S(=O)(=O)Nc2ccc(F)cc2[N+](=O)[O-])C	31
+c12c(CCCC1)cc(c(n2)O)[N+]([O-])=O	1026
+n1c2c(c3nc(O)c(nc3cc2[N+]([O-])=O)O)n(C)n1	10363
+c12c(C)cc(O)nc1c([N+]([O-])=O)cc(OC)c2Cl	3037
+c12CCCc1c(N)ccc2	4996
+c1c2c(CC3(C(NC(=O)N3)=O)C2)cc([N+]([O-])=O)c1	31
+C1Cc2c(CCC1=O)cc([N+]([O-])=O)cc2	31
+c1cc(c2c(sc3ccccc23)c1OC)[N+]([O-])=O	10364
+c1cc(ccc1-c2c3nccn3ccc2)[N+](=O)[O-]	77
+c1ccccc1-c2cc3c(c([N+](=O)[O-])sc3cc2)Br	10365
+c1cc(ccc1-c2cnc(O)cn2)[N+](=O)[O-]	77
+c1cc(ccc1[N+](=O)[O-])C23CN(CC2C3)C(C)=O	31
+c1cc(ccc1CCCF)[N+]([O-])=O	31
+c1ccccc1COc2cc(C=O)c([N+](=O)[O-])cc2OC	77
+c1ccccc1COc2c(c([N+]([O-])=O)c3C(CCc3c2)=O)O	31
+c1ccccc1COc2cc(C#N)c(cc2OC)[N+]([O-])=O	77
+c1ccccc1COc2c(c([N+]([O-])=O)cc(-c3ccc(cn3)C=C4SC(=O)NC4=O)c2)O	77
+c1ccccc1COc2ccc3c(c2)ncc([N+](=O)[O-])c3O	475
+c1ccccc1Oc2ccc(O)c([N+](=O)[O-])c2	31
+OP(O)(=O)c1cccc(c1)[N+]([O-])=O	31
+c1cnccc1-c2c(c(ccc2F)[N+](=O)[O-])F	31
+Brc1c(O)nc(C)c(c1)[N+](=O)[O-]	1026
+N#Cc1c(O)nc(C)c(c1)[N+](=O)[O-]	1026
+Fc1nc(F)c(cc1[N+]([O-])=O)F	475
+c1([N+]([O-])=O)ccc2c(c(C)cc(O)n2)c1	31
+c1(cc2c(cccc2[N+]([O-])=O)cn1)COC	77
+n1cccc(-n2cc([N+]([O-])=O)c(Cl)n2)c1	1733
+c12c(c(ccc1Cl)[N+]([O-])=O)nccc2	3037
+c1ccccc1COc2cc([N+]([O-])=O)c(CC(=O)OCC)c3c2cccc3	22
+n1nn2c(c(N)c(c3ccccc23)NCCOCCCc4cccnc4)n1	4997
+c1(cc(c([N+]([O-])=O)cc1OC)O)C	5
+Nc1cc(OC)c(CCNCc2c(cccc2)OC)cc1OC	0
+c12c(cccc1)C(=O)N(C2=O)CCCCSc3cc(cc(c3)N)[N+](=O)[O-]	0
+Nc1c(c([N+]([O-])=O)cc(C(=O)O)c1)C	0
+Nc1cc(Cl)nc(C(=O)OC)c1Br	912
+[N+]([O-])(=O)C=Cc1c(c(c(c(c1C)OC)C)C)OC	417
+c1cc(C=C[N+]([O-])=O)cc(C)c1OC	417
+C(C[N+](=O)[O-])c1cc(ccc1)OCC	10366
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)C=C[N+]([O-])=O	417
+Fc1c(ccc(C=C[N+]([O-])=O)c1)F	417
+c1cc(C=C[N+]([O-])=O)cc(c1OCc2cccc3ccccc23)OC	417
+c1cc(ccc1[N+]([O-])=O)C2C3C(CN(C(=O)CC)C3)C2	1564
+c1cc(ccc1)Cc2cc3c(C=C[N+](=O)[O-])c[nH]c3cc2	4766
+c1cc(ccc1C(C[N+](=O)[O-])CC(=O)OC)Cl	10367
+C(#N)COc1ccc(c([N+]([O-])=O)c1)O	1564
+c1cc(ccc1OCc2cscc2)C=C[N+](=O)[O-]	417
+C1Cc2c(CCC1=O)cc([N+]([O-])=O)cc2	1564
+c1ccccc1C2(CC2)c3nc4c(nc(-c5c(F)cc(cc5)C=C[N+]([O-])=O)s4)cc3	417
+c1ccccc1COc2c(C=C[N+](=O)[O-])ccc(C(C)C)c2	417
+C1(C(CC(CC1)O)c2cc(OC)c(cc2)OC)[N+](=O)[O-]	100
+c1c(c(c(F)cc1)C)CC[N+](=O)[O-]	364
+c1(c(c(c(OC)c(c1C)CC[N+]([O-])=O)C)C)OC	364
+c1c(c(CC)c(Br)cc1)CC[N+](=O)[O-]	364
+O=C(c1c(cc(c(c1)N)F)F)O	0
+c1ccc(Oc2nc(ncc2Cl)Cl)c(N)c1	0
+O=C(c1cc(n(n1)-c2c(cc([N+]([O-])=O)cc2)C(=O)N3Cc4ccccc4CC3CO)C)O	6
+c1cc(ccc1Oc2c([N+](=O)[O-])cc(c(Br)c2)F)OC	46
+c12n(nnc1c(cc3c2NC(C(=O)N3)=O)N)C	13
+OCC1Cn2c3ccccc3nc2-c4ccccc4O1	1118
+NC(=O)c1c(nc2c(cccc2)c1)N	10368
+c1ccc(C=C(C(=O)OCC)C)c(N)c1	0
+c1ccc(c(N)c1)OC2CCOC2	0
+[N+]([O-])(=O)c1ccccc1Oc2cc(ccc2)OC(C)C#N	143
+c1([nH]nnn1)C(Oc2cc(ccc2)Oc3ccccc3[N+]([O-])=O)C	1104
+c1(ccncc1N)Nc2ccc3c(c2)CC(C#N)C3	13
+c1cccc(c1N)-c2ccc(OC)c(OC)c2	0
+Nc1cnc(NCc2ncccc2)c(Cl)c1	13
+O=[N+](c1c(Nc2ccc(c(C)c2)C)cc(c([N+]([O-])=O)c1)O)[O-]	275
+Nc1cccc(c1C)C(=O)C	0
+c1c(CO)c(C)c([N+]([O-])=O)cc1	49
+Nc1c(c(ccc1)O)C	0
+c1cc(ccc1Cl)-c2ccccc2[N+]([O-])=O	11
+c1ccccc1COc2c(F)cc(c(F)c2)[N+]([O-])=O	57
+c1(c(c(c(F)c(F)c1F)N)N)F	0
+Nc1cc2cccnc2c(Br)c1	0
+c1cc(ccc1)-c2cc([N+](=O)[O-])cc3c2nn(C)c3	1009
+c1cccc(N)c1Oc2cc(c(C#N)cc2)C#N	10369
+C(O)c1cc([N+]([O-])=O)cc(F)c1F	59
+[N+](c1cc2c(c(F)c1)[nH]cc2)([O-])=O	1452
+O=C(OCC)Cc1c(F)cc(c(c1)N)F	0
+[N+](c1cc2c(nc(o2)C)c(c1)Br)([O-])=O	1692
+c1c(cc([N+]([O-])=O)cc1-n2nccc2)NC(C)=O	901
+c1c(cc([N+]([O-])=O)cc1-n2ncnc2)NC(C)=O	4998
+c1cc(ccc1N2CCN(CC2)C)Nc3nc(Oc4cc(Br)cc(c4)[N+]([O-])=O)c(CC)nc3C(=O)N	842
+c1cc(ccc1)COc2cc([N+]([O-])=O)cc(Br)c2	22
+c1-2c(c3c(cccc3)c(n1)O)Cc4cc(ccc-24)N	0
+c1-2ccc(cc1Cc3cc(ccc-23)CCC(=O)C)N	0
+Nc1cc2c(nc(o2)C)c(Br)c1	0
+c12CCN(CCc1cc(N)cc2)C(C)=O	0
+N1(CCc2c(CC1)cc(N)cc2)C	0
+Nc1c2[nH]ccc2ccc1	13
+Clc1ccc(N2CCC(C2)C(C)N)c([N+]([O-])=O)c1	18
+C(C=1N=C2N(C(=O)C=1c3cc(F)ccc3)C(=CS2)C)(C)N	1426
+C(CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C)(C)N	18
+C1Cc2cc(CC(C)N)cc(C#N)c2N1C(=O)C	18
+c1(C(C)N)cccc([N+]([O-])=O)c1	18
+c1c(cnc(C(C)N)c1)F	18
+C(c1cc(C)c(F)cc1)OCCCCC(N)C(OC)=O	4707
+C(C(N)c1ccc(nc1)OC)O	18
+[N-]=[N+]=NC(OCCO)COc1cccc(C(=O)O)c1	6
+C(N1c2cc(cc(F)c2C=CC1=O)F)CN3CC(O)C(CC3)N	18
+[N-]=[N+]=NC1CC(OC1CO)n2cnc3c2nc(nc3OCC)N	10370
+C1CC(c2cccc(C)c12)N	18
+C1c2c(cccc2F)NC(C(n3cc(-c4cc(OC)c(I)cc4)nn3)C1)=O	10371
+[N-]=[N+]=NC1CCc2c(ccc(c2)C#N)C1O	74
+C(=O)(CN1C(=O)C(N)CCc2ccc(OC)cc12)O	1584
+[N-]=[N+]=NC1CCc2ccc(OC)cc2N(C1=O)CC(=O)O	3
+c1cc2CCCC(N)c2cc1F	18
+C1(CCOc2c1ccc(C#N)c2)N	18
+c1ncc(-c2cc(Cl)c(C3=Cc4c(N(CC(CN)O)C3=O)nc(nc4)NCC)cc2)nc1C	18
+Clc1cccc(C(O)CN)c1	18
+[N-]=[N+]=NCc1ccc(nc1C#N)C	10372
+C1(C(Oc2c1cc(cc2Cl)Br)CN)O	18
+c1(cc2NC(=O)COc2cc1)N3CC(CC3=O)CN	18
+C1CC(C(=O)O)CC1CN	18
+[N-]=[N+]=NCC1CCC(C(=O)O)C1	4
+C1Oc2cccc(c2NC1CN)OC	18
+c12CCCc1c3c(CC(CN)O3)c(Cl)c2	18
+c1(F)cccc(F)c1-c2cccc3CC(CN=[N+]=[N-])Oc23	4738
+Clc1c2OC(CN)Cc2ccc1	18
+Oc1nc2c(C)cc3c(c2cc1)OC(CN)C3	18
+CC(C)CC(C(=O)NC(C(OC)=O)CCC(NCCCN=[N+]=[N-])=O)NC(C(NC(=O)OCc1ccccc1)CC#C)=O	188
+[N-]=[N+]=NCCCOc1ccc(cc1C(=O)O)C(=O)C	1
+N(C=O)c1scc(C(=NOCCN)C(=O)NC2C(=O)N3C(=C(CSc4n(C)nnn4)CSC23)C(=O)O)n1	18
+[nH]1cc(c2cc(ccc12)CCN)C#N	18
+[N-]=[N+]=NCCn1cnc2cc(C(=O)O)ccc12	1
+s1c2c(cccc2cc1-c3nc(ncc3F)NCCN4CCNC4=O)-c5c(CN)cnc(F)c5	18
+Clc1ccc(I)c(CN)c1	18
+C(c1ccc(CN)cc1C)CC(OC)=O	18
+C(c1ccc(C(=O)OC)c(Cl)c1)N	18
+C(c1ccc(CN)nc1Cl)(=O)OC	18
+Clc1ccc(CN)c(F)c1Oc2c(c(F)cc(c2)Br)Cl	18
+c1(Oc2c(Cl)ccc(CN)c2F)cc(cc(Br)c1)C#N	18
+C(c1ccc(c(c1)F)C#N)N	18
+c1cc(cc(F)c1CN)C(=O)OC	18
+c1c2CN=C(c2nc(C)c1)N	10373
+C1CCCC(n2c3cc(CN)ccc3cn2)O1	18
+C(c1ccc2c(nccc2)c1)N	18
+C(c1ccc2occc2c1)N	18
+c1c(c(OC)c(Br)cc1)CN	18
+C1OC(CCC1)OCc2c(cncc2Cl)CN	18
+c1(nc(CN)ccc1)N2CCCC2=O	18
+c1cc(-n2cnc(CN)c2)ncc1Br	18
+C(C)OC(c1ccc(N)c(C)c1F)=O	912
+C(c1cc(c(C)cc1)-n2nnc(-c3cnc(cc3)Cl)c2)(=O)O	3754
+C(c1c(nc(nc1N)C)Cn2ccnc2-c3cccc(F)n3)CC	1341
+C(C)OC(c1cc(c(N)c(C)c1F)F)=O	912
+c1(cc(cc(Cl)c1N=Cc2c(c(F)cnc2)N=[N+]=[N-])[N+](=O)[O-])Cl	3026
+c1nc2c(c(N)c1)c(OC)ccc2OC	912
+c1(nc(Br)cc(N)c1OC)C(=O)OC	912
+c1ccccc1OC(=Nc2cc(I)cc(c2)N=[N+]=[N-])NC#N	10374
+Nc1cc(nc(Cl)c1Cl)-c2cnco2	912
+c1cc(ccc1)-c2nnn(c2)-c3ccc(cc3C#N)-c4nccc(C(OC)=O)c4	2274
+c1c(cc(c(Nc2c(C(=O)OC)cnc(N)c2Cl)c1)Cl)Br	1341
+n1cccc2c(N)nccc12	1341
+[N-]=[N+]=NCCc1ccc2[nH]cc(c2c1)C#N	558
+C(N=[N+]=[N-])C1Oc2c(cc(C)c3c2c(c(c(n3)O)C)C)C1	310
+c1(cc(-c2nnn[nH]2)ccc1)C=O	1174
+N(Cc1ccccc1-c2nnsc2)=[N+]=[N-]	545
+C1c2c(Sc3cc(ccc3C1=O)Cc4[nH]nnn4)cccc2	1104
+c1(F)cc(cc(F)c1-c2cnccc2)N3C(OC(C3)CN=[N+]=[N-])=O	1445
+c1(c(c(ccc1)N2C(=O)NN=N2)C)Br	10375
+[N-]=[N+]=Nc1cc(Br)nc(c1OC)C(=O)OC	10376
+Clc1c(c(ccc1)N2C(=O)NN=N2)C	10377
+[N-]=[N+]=NCc1ccc2c(c1)OC(C=C2c3cc(F)ccc3)=O	545
+Ic1c(NC(Nc2c(cc(cc2)N=[N+]=[N-])O)=O)cccc1	615
+[N-]=[N+]=Nc1ccc(cc1C#N)-c2cc(ccn2)C(=O)OC	1870
+[N-]=[N+]=NCC1CC(N(c2cc3NC(=O)COc3cc2)C1)=O	600
+c1(cc2ncc(c(Nc3cccc(N=[N+]=[N-])c3)c2cc1OC)C#N)OC	615
+c1c(C)c(c(cc1)C)COc2cccc(-c3[nH]nnn3)c2	424
+c1c(-c2nc(-c3nnn[nH]3)ccc2)nc(s1)-c4ccc(c(OCC)c4)OCC	4832
+[N-]=[N+]=NCc1nc(ccc1)N2CCCC2=O	2297
+c12OCC(C)N3C=C(c4nnn[nH]4)C(=O)c(c13)c(N)c(c2F)F	10378
+N(=[N+]=[N-])Cc1cc2c(c(Cl)ccc2)nc1-c3c(cccc3)F	3336
+c1(CN=[N+]=[N-])nc2c(cccc2)c3ccccc13	2297
+[N-]=[N+]=NC1CCc2c(NC1=O)cc(OC)cc2	4999
+C1(c2c(C(=O)N1c3c(N=[N+]=[N-])cccc3)cccc2)=O	615
+c1cccc2CCc3c(cccc3)N(c12)CC(CN=[N+]=[N-])O	1648
+c1c(Br)cc2CCNC(=O)c2c1	10379
+[N-]=[N+]=NCc1nc(ccc1)Br	2297
+[N-]=[N+]=NC1CCc2cc(C#N)ccc2C1=O	10380
+[N-]=[N+]=NC(C)C(Nc1cccc(C(=O)C)c1)=O	4058
+[N-]=[N+]=NCc1ccc2occc2c1	545
+c1c(Cl)c(ccc1Cl)Oc2cc(c(Cl)cc2O)-c3nnn[nH]3	1174
+n1n(c(C)nn1)-c2ccc(I)cc2Cl	4307
+[N-]=[N+]=Nc1cc(ccc1)OCC(=O)O	615
+c1(-c2nnnn2C)cc([N+]([O-])=O)ccc1	3142
+c1c(c(C(=O)OC)cc(-c2nnn[nH]2)c1)OC	1174
+[N-]=[N+]=NCc1cc(c(F)cc1)Oc2cnccn2	10381
+c1c(CCN=[N+]=[N-])c([N+]([O-])=O)ccc1	310
+n1c2cc(F)cc(CN=[N+]=[N-])c2nc(OC)c1OC	2324
+c1(-c2nnnn2C)cc(ccc1)CCl	3142
+[N-]=[N+]=Nc1c2c(nc(-c3cc(F)ccc3)c1)ccc(c2)Br	1756
+C1CC(C(Nc2ccc3c(cccc3)c12)=O)N=[N+]=[N-]	4999
+C1(=O)c2c(C(=O)N1Cc3n(nnn3)Cc4ccccc4)cccc2	10382
+c1c2c(ccc1)N(CCN=[N+]=[N-])C(N2)=O	558
+c1c2ccc(-c3c(Cl)cc(-c4nnn[nH]4)cc3)nc2ccc1O	424
+c1c(-c2[nH]nnn2)cc3n1-c4ccccc4N(CC)C3=O	2915
+[N-]=[N+]=NCc1ncn(-c2ccc(Br)cn2)c1	5000
+[N-]=[N+]=NCc1ccc(C(=O)OC)c(Cl)c1	545
+[N-]=[N+]=Nc1c2c(ccc(c2ncc1)OC)OC	1756
+[N-]=[N+]=NCCCOc1ccc(cc1C(=O)OC)C(=O)C	310
+c1cc(ccc1)-c2c(C)nn(-c3ccc(cc3)CCN=[N+]=[N-])c2C	558
+c1cc(ccc1)-c2n(C3CCCCC3N=[N+]=[N-])cnc2C(=O)OCC	298
+c1cc(ccc1)-c2sc(c(CCN=[N+]=[N-])n2)C	133
+c1cc(ccc1)C(=O)NC2=NC3(COC(C(F)(F)C)C3CS2)c4c(F)ccc(N)c4	10383
+c1ccccc1C2CN(C(=O)CN=[N+]=[N-])c3ccccc23	10384
+c1ccccc1CC(CCCc2ccccc2C(=O)OC)N=[N+]=[N-]	298
+c1cc(ccc1)CCCCCCCCOCC(CN=[N+]=[N-])O	1648
+c1cc(ccc1)COC(=O)N2CCCC(CN=[N+]=[N-])C2	133
+c1ccccc1COC(NC2C(N(C(=O)OCc3ccccc3)CC2)CN=[N+]=[N-])=O	254
+c1cc(ccc1)COCCOC(C)CN=[N+]=[N-]	600
+c1cc(ccc1)COc2cc3c4c(CCCc4nn3CC(C)N=[N+]=[N-])c2	2135
+c1cc(ccc1)Cc2c3c(n(C)c2-c4ccccc4)ccc(-c5ccc(cc5)OCc6nnn[nH]6)c3	420
+c1cc(ccc1)Cc2cc3cc(ccc3nc2Oc4ccc(F)cc4C(C)=O)N=[N+]=[N-]	615
+c1cc(ccc1)Cn2c3c(nc2CN=[N+]=[N-])N(C)C(=O)N(CCCCC(O)C)C3=O	2902
+c1cc(ccc1)N2C(=O)CC(CN=[N+]=[N-])CC2	133
+c1cc(ccc1-c2ccc(c(-c3nnn[nH]3)c2)N)Cl	424
+c1cc(ccc1-c2cc(ccc2C)C(=O)NC3CC3)-c4oc(nn4)CN=[N+]=[N-]	10385
+c1cc(ccc1OCc2nnn[nH]2)-c3ccc4c(c3)c(CCCCC)c(n4C)-c5ccccc5	420
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(nc5c4cc(s5)CC)N=[N+]=[N-])=O	10386
+c1cc(ccc1-c2c(c(-c3[nH]nnn3)nn2-c4c(cc(Cl)cc4)Cl)C)Cl	10387
+c1cc(ccc1-c2[nH]nnn2)-c3csc(-c4c(cccc4)Cl)n3	424
+c1cc(ccc1-c2noc(-c3[nH]nnn3)c2)Oc4c(ccc(F)c4)Br	10388
+c1cc(ccc1-c2c(nc(CCCCCC(C)c3[nH]nnn3)o2)-c4ccc(cc4)Cl)Cl	420
+c1cc(ccc1-c2sc(cn2)C(Nc3nccc(n3)N4C(COC4=O)C(C)N=[N+]=[N-])C)Cl	298
+c1cc(ccc1-n2cnc(CN=[N+]=[N-])c2)N3C=CC=CC3=O	5000
+c1cc(ccc1C=2CC(CN=[N+]=[N-])ON=2)Br	133
+c1cc(ccc1-c2[nH]nnn2)-c3nc(c(O)cc3-c4ccc(cc4)F)O	424
+c1cc(ccc1-c2noc(-c3ccc(cc3)-c4[nH]nnn4)n2)-c5ccc(cc5)OCCCC(=O)O	424
+c1ccccc1-c2nc(sc2)-c3ccc(cc3)-c4[nH]nnn4	424
+c1cc(ccc1CCN=[N+]=[N-])C#N	600
+O=S(=O)(N1CCOc2ccc(cc12)C(Nc3ccc(cc3)-c4[nH]nnn4)=O)c5cc(Cl)ccc5OC	424
+c1cc(ccc1C(C)=O)CN=[N+]=[N-]	545
+c1cc(ccc1C#N)C(CCN=[N+]=[N-])n2ccnc2	133
+c1cc(ccc1C(Cc2ccccc2)N=[N+]=[N-])CCCC(=O)OC	10389
+c1cc(ccc1C)-c2cc(cc(C(OC)=O)c2)-n3c(C)nnn3	10390
+CC(C)COP(=O)(C)CC(O)CN=[N+]=[N-]	254
+[N-]=[N+]=NCC(O)c1cc(Cl)ccc1	254
+[N-]=[N+]=NCCCCC#C	254
+C(O)CCCCCN=[N+]=[N-]	254
+O=S(=O)(c1cccc2ccccc12)c3c4c(ccc(OCCCN=[N+]=[N-])c4)[nH]n3	254
+c1cc(ccc1-c2ccc(cc2)C3CCC(CC3)CCCC=C)C(N=[N+]=[N-])=O	10391
+c1cc(ccc1C=CC(=O)N=[N+]=[N-])C	10392
+c1cc(ccc1C(C)C)OC(Cc2ccc(cc2)OCCN=[N+]=[N-])(C)C(=O)OCC	133
+c1cc(ccc1OC)CC(C)(C)N	4972
+c1cc(ccc1)COc2ccc(cc2)CC(NC(CCCCCCc3ccccc3)=O)CCc4nnn[nH]4	1104
+c1ccccc1OC(Cc2ccc(cc2)OCCN=[N+]=[N-])C(OCC)=O	133
+c1(cc(cc(Cl)c1)N2C(C3(CC(N=[N+]=[N-])CN3C2=O)Cc4ccc(cc4)C#N)=O)Cl	298
+c1cc(ccc1-n2c3c(c(C)cc(C)n3)nc2CC)CCN=[N+]=[N-]	558
+c1cc(ccc1)-c2nc(CC)n(c2)-c3ccc(cc3)CCN=[N+]=[N-]	558
+c1cc(ccc1CCN=[N+]=[N-])CCOC2OCCCC2	133
+c1cc(ccc1CN=[N+]=[N-])CO	1298
+c1cc(ccc1Cl)C(c2ccc(cc2Cl)CN=[N+]=[N-])=O	545
+c1cc(ccc1Cl)CC(c2cccc(C#N)c2)C(N=[N+]=[N-])C	298
+c1cc(ccc1-c2ccccc2-c3[nH]nnn3)Cn4c(cc(C(=O)O)n4)CCCC	424
+c1cc(ccc1F)-c2c(C(OCC)=O)cc3cc(CN=[N+]=[N-])ccn23	2289
+c1cc(ccc1S(=O)(=O)N2C(c3ccc(cc3)F)CCC2c4nnn[nH]4)C	420
+c1cc(ccc1F)CCN2CCC(C(CN=[N+]=[N-])C2)C	133
+c1cc(ccc1N2C(OC(CN=[N+]=[N-])C2)=O)I	133
+c1ccccc1COC(=O)C(C(C)C)c2ccc(cc2)N=[N+]=[N-]	615
+c1cc(ccc1N2CCN(CC2)CCN=[N+]=[N-])[N+]([O-])=O	558
+c1cc(ccc1N2CCN(CC2)c3nc(c(-c4[nH]nnn4)s3)-c5ccccc5)OC	10393
+c1cc(ccc1-c2c(c(cc(Br)n2)C(OC)=O)N=[N+]=[N-])N3CCOCC3	5001
+c1cc(ccc1N=Nc2ccc(O)c(C(O)=O)c2)OCCCCCCCCN=[N+]=[N-]	310
+c1cc(ccc1-c2ccc(c(n2)O)C(O)=O)NC(=O)Cc3[nH]nnn3	10394
+c1cc(ccc1Nc2ncc(c(n2)O)Br)S(=N)(=O)C	10395
+c1cc(ccc1OC(C(OC)=O)c2ccccc2Cl)CN=[N+]=[N-]	545
+c1cc(ccc1CCCCN=[N+]=[N-])OC	254
+c1cc(ccc1S(=O)(=O)N(CCc2ccc(cc2)OC)CCC(=O)OC)-c3[nH]nnn3	424
+c1cc(ccc1OCc2nnn[nH]2)-c3cc4c(c(n(C)c4cc3)-c5ccccc5)C	420
+c1cc(ccc1OCc2nnn[nH]2)-c3ccc4n(Cc5ccccc5)c(C)c(C)c4c3	420
+c1cc(ccc1-c2c(C#N)c3c(n2CC)cc(cc3)OC)OCCN=[N+]=[N-]	310
+c1cc(ccc1OCCCc2[nH]nnn2)CCCCNC(=O)OCc3ccccc3	420
+c1cc(ccc1OCCCCN=[N+]=[N-])C=Cc2nc3c(C(N(C(N3CC)=O)CC)=O)n2C	310
+c1cc(ccc1OCCN=[N+]=[N-])CCC(=O)OC	558
+c1cc(ccc1OCCN=[N+]=[N-])CC(C)(CCCc2ccccc2)C(=O)OCC	133
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN=[N+]=[N-]	254
+c1cc(ccc1OCCc2nnn[nH]2)OCc3nc4c(cc3)cccc4	1104
+c1cc(ccc1)COC(N2CC(CC)C(C2)N=[N+]=[N-])=O	2780
+c1cc(ccc1)COC(N2CC(CN=[N+]=[N-])C(=NOC)C2)=O	254
+[N-]=[N+]=NCC1Oc2c(-c3ccsc3)cc(Cl)cc2C1	254
+[N-]=[N+]=NCC1Cc2c(O1)c3c(CCC3)cc2Cl	254
+Cc1ccccc1-c2c(ccc3CC(CN=[N+]=[N-])Oc23)F	254
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCN=[N+]=[N-])C3	254
+O(CCN=[N+]=[N-])CCOCCOCCOC	254
+c1cc(ccc1[N+](=O)[O-])OCCOCCOCCOCCN=[N+]=[N-]	254
+c1cc(ccc1[N+](=O)[O-])-c2nnnn2C	3142
+c1n2C(c3c(N=c2ccc1-c4nnn[nH]4)sc(CC)c3)=O	2915
+C(OC)(c1ccccc1-c2ccc(nc2)CN=[N+]=[N-])=O	2297
+c1ccc2c(c1)c3c(cccc3)n2CCCN=[N+]=[N-]	133
+c1ccc(OCc2nc3c(cccc3)cc2)cc1COc4cc(ccc4)-c5[nH]nnn5	424
+c1c2CCCC(Nc2ccc1)=O	10396
+c1cc(ccc1)-c2c(C(OC)=O)c3c(nc2C(C)N=[N+]=[N-])ccc(F)c3	10397
+c1ccccc1-c2n(c3cccc(-c4ccc(cc4)OCc5nnn[nH]5)c3c2C)Cc6ccccc6	420
+c1ccccc1C(N2C(C(CC2)CN=[N+]=[N-])C(OC)=O)C	1445
+c1cc(ccc1)C(C2CC(=O)N(C2)C(C)c3ccccc3)N=[N+]=[N-]	10398
+C1CCCCC1C(c2ccccc2)CN=[N+]=[N-]	600
+c1ccccc1C(NC=2C=CN(C(N=2)=O)C3OC(CN=[N+]=[N-])C(O)C3O)=O	600
+c1ccccc1C(c2ccc(OCc3nnn[nH]3)c(Cl)c2Cl)=O	420
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)CN=[N+]=[N-]	133
+c1ccccc1C(c2ccccc2)C3CC(N=[N+]=[N-])CCO3	298
+c1ccccc1C2(CC(C2)C)c3c(C(=O)CN=[N+]=[N-])ccc(OCc4ccc5cc(ccc5n4)F)c3	3396
+c1ccccc1C2CCC(CC2)CN=[N+]=[N-]	1445
+c1ccccc1CC(=O)c2c(-c3cc4ccc(c(c4cc3)Br)OCc5[nH]nnn5)sc6ccccc26	420
+c1ccccc1CC(NC2=CC(N(CCC(CN=[N+]=[N-])F)C=C2)=O)=O	310
+c1ccccc1CN2C(C)=CC(C3=C2N(C)C(N(CCCCC(C)N=[N+]=[N-])C3=O)=O)=O	298
+c1ccccc1COC(N2C(Cc3c(C2)[nH]c4ccccc34)c5[nH]nnn5)=O	420
+c1ccccc1COC(=O)NC(CN)COC	4154
+c1ccccc1COC(N2c3c(cc(cc3)N4CC(OC4=O)CN=[N+]=[N-])CCCC2)=O	133
+c1cc(ccc1)COCC(CN=[N+]=[N-])O	1648
+c1ccccc1COCCCC(C)(C)COS(=O)(=O)CCCN=[N+]=[N-]	558
+c1ccccc1COc2ccc(-c3[nH]nnn3)c(OC)c2	424
+c1ccccc1COc2ccc(C(CN=[N+]=[N-])O)c3SC(=O)Nc23	310
+c1ccccc1COc2ccc(cc2)-c3c(c(cc(Br)n3)C(OC)=O)N=[N+]=[N-]	5001
+c1ccccc1COc2ccc3c(OC(C=C3CN=[N+]=[N-])=O)c2	10399
+c1cc(ccc1)N2C=C(CN=[N+]=[N-])C(=O)c3c2cc(cc3)Cl	10400
+c1ccccc1Nc2c3ccccc3nc(CN=[N+]=[N-])n2	2902
+[N-]=[N+]=NCC(CN1c2nc(SC)ncc2C=C(C1=O)c3c(Cl)cc(-c4nc(cnc4)C)cc3)O	1648
+N(=[N+]=[N-])CC1C(C(O)C(n2c3c(c(nc(N)n3)O)nc2)O1)O	1445
+n1c2c(c(O)nc1CCCC)cc(-c3nnn[nH]3)cc2	424
+[N-]=[N+]=Nc1cc2nc(Cn3ccnc3-c4cc(ccc4F)F)n(c2cc1)CC	615
+[N-]=[N+]=NCc1ccc2c(nccc2)c1	545
+c1nc(ncc1-c2nnn[nH]2)N3CCC(CC3)O	10401
+[N-]=[N+]=Nc1nccc2ncccc12	10402
+FC(F)(c1ncccn1)CN=[N+]=[N-]	1445
+c1cc(ccc1CN(C(=O)N(N=O)CCCl)C2C(O)C(O)C(O)CO2)OC	2591
+c1c(ccc(Oc2cc(c(cc2Br)[N+]([O-])=O)C)c1F)F	304
+c1(C)cc(c([N+]([O-])=O)c(C)c1[N+](=O)[O-])N	106
+c1ccc([N+]([O-])=O)c(Sc2c(C(=O)O)cccc2)c1	815
+c1(OC)cc(C)c(Nc2ccccc2[N+]([O-])=O)cc1	275
+c1(cccc(Nc2ccccc2[N+]([O-])=O)c1)-c3cnc4n3ccc(c4)C	275
+Fc1c(Nc2c([N+]([O-])=O)cccc2)cccc1	275
+c1cc(ccc1Oc2ccccc2[N+](=O)[O-])-c3cn(c4ncnc(N)c34)C(C)C	46
+c1cc(ccc1Cl)Sc2ccccc2[N+]([O-])=O	815
+c1c(Nc2c([N+]([O-])=O)cccc2)c(ccc1)C	275
+Fc1c(ccc(N)c1)Oc2c3cc(c(OC)cc3ncc2)OC	0
+c1c(NCc2cnccc2)c(ccc1)[N+]([O-])=O	205
+c1cc(ccc1)C2Cc3c(ccc(Oc4c(cccc4)[N+]([O-])=O)c3)C2	415
+C1(=C(N(N(C1=O)c2ccccc2F)C)C)N	3846
+C(CN)c1cc(F)c(cc1)F	157
+c1(cc(CCN)ccc1OCc2cccc3ccccc23)OC	157
+c1(c(c(Cl)c(Cl)c(c1Cl)Cl)[N+]([O-])=O)N	0
+n1(nc(-c2ncccc2)cc1)-c3ccc([N+]([O-])=O)cc3F	926
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c[nH]nc3cc2Br	46
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c[nH]nc3cc2	46
+c1cc(ccc1Cn2nc(c3ccccc23)Oc4c(cc([N+]([O-])=O)cc4)F)OC	10403
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c(nn(C4CCCCO4)c3)cc2Br	46
+c1cc([N+]([O-])=O)cc(F)c1Oc2cnc(OC)cc2	551
+c1cc(P(OCC)(C)=O)c(OCC)cc1N	0
+Nc1c(ccc([N+]([O-])=O)c1)CC	0
+c1c([N+]([O-])=O)cc([N+]([O-])=O)c(Sc2c(cccc2)N)c1	825
+O=[N+](c1cc(cc([N+](=O)[O-])c1)C(C)O)[O-]	74
+S1c2cc(C#N)ccc2C=Cc3cc(N)ccc13	0
+c12c(cccc1)Sc3c(C(N2)=O)cc(N)cc3	0
+c1(cc(N)ccc1NC(Nc2ccccc2I)=O)O	0
+c1(ccccc1CNc2ccc3c(n2)ccc(N)c3)OC	0
+c1cccc(NCCCCCCCCCCCCCCCCCC)c1N	0
+c1n(CCCN2c3c(cccc3)CC2)ncc1N	209
+c1n(CCn2nccc2)ncc1N	209
+C1C2(c3c(O1)ccnc3O)c4ccccc4N(CCCCC)C2=O	10404
+C=1c2c(nc(O)cc2)C(c3ccccc3C=1)=O	10405
+O=Cc1ccc([N+]([O-])=O)cc1C	5002
+c1cc(ccc1)CN(CC=O)S(=O)(=O)c2c(cccc2)[N+]([O-])=O	2775
+c1cc(ccc1C=O)C2(CC2)C#N	5002
+c1ccccc1C(N2C(=O)CC(C2)(COC)CCO)C	10406
+c1cc(ccc1)C(O)(C)CCO	10407
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(-c5ccnc(c5)C)c6cc(c(cc46)[N+](=O)[O-])CC=O	1981
+Clc1cnc(c(C)n1)C(=O)OC	2903
+c1c(cc2c(ccnc2c1)S)Br	10408
+c1cc(ccc1OCCO)-c2c(c(nc(c2C#N)OCC)S)C#N	3985
+c1cc(ccc1-c2ccc3C(=CC=4[Se]C(C)=C(C=4)C(=O)O)C(=O)Nc3c2)OC	10409
+c1cc(ccc1-c2ccc(C=3[Se]C=CC=3)c(F)c2)CC	10410
+Cc1cccc(C)c1-c2nc3ccc(cn3n2)C(OC)=O	10411
+O(C)CCCCOc1cc(CO)ncc1	813
+c1(C)nc(Cl)cc([N+]([O-])=O)c1	174
+c1(cc2cccc(C)c2nc1Cl)[N+]([O-])=O	2298
+CCCCOc1ccnc(c1C)COC(=O)C	174
+OCc1ccc(cn1)C(=O)OC	813
+Cc1c(-c2ncccc2)nc(cc1)COC(C)=O	174
+CCOc1c(Cl)ncc(Br)c1	174
+[nH]1c(C(=O)NC2CCN(CC2N=[N+]=[N-])c3sc(C(OC)=O)cn3)c(Cl)c(c1C)Cl	641
+[nH]1c(C(NC2CCN(CC2n3nncc3)c4sc(cn4)C(=O)O)=O)c(Cl)c(c1C)Cl	1
+[nH]1c(C(NC2CN(c3cccc(C(=O)O)c3)C2=O)=O)c(Cl)c(c1C)Cl	1
+c1cc(ccc1)C(CNC(=O)c2ccc3nc(C)[nH]c3c2)=O	10412
+c1ncoc1-c2cc3ccccc3[nH]2	4936
+c12c(ccnc1cc(OC)c(Br)c2)Nc3n[nH]c(c3C)C	10413
+C1(Nc2ncc(C=CC(=O)N(C)Cc3[nH]c4c(c3CC)cccc4)cc2OC1)=O	404
+c1ccc(cc1C(=O)OC)OCCn2c(-c3cnccc3)c(c4cc(C#N)ccc24)C	339
+c1ccccc1NC(NCCc2nnc3N(CCCCC)c4nc(Br)[nH]c4C(=O)n23)=O	282
+c1cc(ccc1C(NCCc2n3C(=O)c4[nH]c(Br)nc4N(CCCCC)c3nn2)=O)OC	14
+C(n1c(Br)nc2c1C(NC(=O)N2C)=O)c3ccccc3Br	371
+c1cc(ccc1Cl)Cn2c(Br)nc3N(C(NC(=O)c23)=O)C	371
+c1ccccc1CNC(=O)c2cc3c4c(C(CCC4)=O)[nH]c3cc2	14
+[nH]1c2C(NC(CCCO)Cc2c3cc(OC)ccc13)=O	95
+c1cc(ccc1Cn2c3c(C)cccc3c4c2CCCC4=O)F	190
+c1cc(ccc1)Cn2c3c(c4c2CCCC4=O)cccc3F	190
+c1(SCC=2N(c3ccccc3OC)C(=O)c4c(Cl)cccc4N=2)ncnc5nc[nH]c15	3031
+[nH]1c2c(c(C(=O)c3c(F)c(N)ccc3F)c1)cc(Br)cn2	2622
+c1cc(ccc1S(=O)(=O)n2cc(C(c3cc([N+]([O-])=O)ccc3)=O)c4cc(cnc24)-c5cccnc5)C	276
+c1(cccc([N+]([O-])=O)c1F)C(c2c[nH]c3c2cncn3)=O	814
+[nH]1cc(c2c1ncnc2Cl)C#N	1453
+O=S(=O)(n1ccc2c(ncnc12)Cl)c3ccc(cc3)C	276
+O=S(=O)(n1ccc2c3c(cnn3C)cnc12)c4ccc(cc4)C	276
+c1cc(ccc1)COC(=O)C2Cc3c(CC2)[nH]c4c(Cl)cccc34	283
+c12c(ncnc1nc[nH]2)NC(C)c3c(nc4c(c3)c(Cl)ccc4)-c5ncccc5	2042
+Cc1n(-c2cn(nc2)CC)c3cc(C#N)ccc3c1Sc4cc(ccc4)C(=O)OC	1865
+c1[nH]c2c(ccc(C)c2)c1CN	5003
+[nH]1c(nc2cc3C(=O)N(Cc3cc12)C)-c4c(ccnc4O)NC(Cc5cc(ccc5F)F)C	1598
+c1cc(ccc1S(=O)(=O)OCC2CN(C3C(c4cccc5[nH]cc(C3)c45)C2)C)C	36
+c1cc(ccc1Cn2c3c(c4ccccc24)C(=O)CCC3)C(OC)=O	190
+c1cc(ccc1S(=O)(=O)n2ccc3c(nc(Cl)nc23)Cl)C	276
+[nH]1c2c(c(C(=O)c3cc([N+]([O-])=O)ccc3)c1)cc(cn2)-c4cnccc4	814
+[nH]1c2c(c(C(=O)c3c(c(NC(OC)=O)ccc3F)F)c1)cc(Br)cn2	814
+[nH]1cc(c2c(-c3ccc(C)cc3C)ccnc12)C#N	1453
+c1cc(ccc1)S(=O)(=O)n2ccc3c(ccnc23)Br	276
+c1cc(ccc1Oc2ccnc3c2cc[nH]3)OCc4ccccc4	10414
+c1c2c(ccc1)nccc2-n3c4c(ccc(OC)c4)c(c3)C(OC)=O	5004
+[nH]1cc(c2c(N)cccc12)Cl	0
+O=S(=O)(c1ccc(cc1)C)n2cc(I)c3c(nc(Cl)nc23)Cl	276
+c1ccccc1-n2c3ncnc(Cl)c3c(I)c2	5005
+O=S(=O)(n1c2c(c(I)c1)cc(C(=O)O)cc2)c3ccc(cc3)C	367
+[nH]1cc(Cl)c2c(N=C=S)cccc12	1695
+O=S(=O)(Nc1ccc2c(c(C(=O)C)c[nH]2)c1)c3ccccc3	69
+[nH]1cc(c2cc(N)ccc12)C(=O)C	0
+c1cc(ccc1C2CCC(=O)NC2)C(=O)NCCc3ccc4c(c(C#N)c[nH]4)c3	14
+[nH]1c2ncc(-c3cnccc3)cc2c(C(O)c4cccc([N+]([O-])=O)c4)c1	1235
+c1ccccc1CN(Cc2ccccc2)c3c(c(C(O)c4c[nH]c5c4cc(-c6cnccc6)cn5)c(cc3)F)F	1235
+c1cc(ccc1CCO)-n2ccc3cccnc23	4520
+c1ccccc1S(=O)(=O)n2c3c(cccn3)cc2	276
+c1cc(ccc1CCCn2ccnn2)OCc3ccccc3	10415
+c1cc(ccc1Cl)Oc2ccc(C(CC)(O)Cn3cncn3)c(Cl)c2	10416
+n1ccnn1CCOc2cc3cc4ncc(c(Nc5c(cc(c(c5)OC)Cl)Cl)c4cc3cc2OC)C#N	10417
+c1ccccc1-c2nnc(CCC(NNC3=NC(=O)c4nc[nH]c4N3CCCCC)=O)o2	355
+c12c(ncnc1nc[nH]2)NC(C)c3cc4c(c(Cl)ccc4)nc3-c5nnc(C)s5	516
+n1c(-c2ncccc2)c(cc3ccsc13)C(C)Nc4c5[nH]cnc5ncn4	516
+c1cc(ccc1NC(=O)c2c(cn[nH]2)[N+](=O)[O-])F	187
+Nc1c(n[nH]c1)C(=O)OC	209
+c1c(cc(-n2nc(C)cc2)c(c1)Br)Br	926
+Fc1cccc(F)c1-n2ccc(n2)C	901
+n1cc(cc(-n2nc(C)cc2)c1)F	10418
+Nc1c(F)cc(cc1)-n2nc(C)cc2	568
+c1c(C)nc(Cn2ccc(NC(C)=O)n2)cc1	10419
+n1n(ccc1[N+]([O-])=O)-c2ccc(c(C)c2)C	901
+c1([N+]([O-])=O)ccn(-c2cc(c(cc2)Br)OC)n1	568
+c1cc(ccc1C#N)Cn2nc(cc2)[N+](=O)[O-]	309
+c1cc(ccc1)C(CNC(CC)=O)Nc2cncc(-c3ccc4c(c3)c(F)[nH]n4)c2	1806
+c1cc(ccc1[N+]([O-])=O)Cn2ncc3cnc(SC)nc23	10420
+c1c(cc2nn[nH]c2c1)CO	98
+c1c(C)c(c(cc1OCOC)C)-c2cccc(c2C)COc3cc-4c(cc3)C(c5ccccc-45)=O	57
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3CCc4nncn4-c5c3cccc5	448
+Nc1cc(-c2[nH]ccn2)ccc1C	0
+c1(-c2n(Cc3nc4ccccn4c3CCC)ccn2)cc(ccc1)C#N	2238
+c1(nn2c(-c3c(Cl)cc(OC)cc3)cccc2c1N)CC	209
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(c2)I)-c3cc(F)ccc3	8
+c1(cccc(Cl)c1)-c2cc(cc(-c3cccc(Cl)c3)c2O)C(=O)NCC4(CC4)COCCCCc5ccccc5	241
+c1cc(ccc1O)CCNc2nc(-c3cccc(CN4CCNCC4C(O)=O)c3)ccn2	96
+c1c(Nc2c(C(O)=O)c(-c3ccccc3F)cnc2)c(F)cc(I)c1	1
+c1cc(ccc1)COC(NCC2CN(CC2)c3c4cc(ccc4nc(-c5ccccc5O)n3)F)=O	54
+c1ccccc1NC(=O)c2cccc(-c3ccnc4n3ncc4C(c5sccc5)=O)c2	67
+c1c(N)cc(-c2ccnc3n2ncc3C(=O)c4sccc4)cc1	0
+c1(-c2ccnc3n2ncc3C(=O)c4sccc4)cc(C(=O)O)ccc1	1
+c1(-c2cn(CCc3ccccc3Cl)cn2)nccc(C#N)c1	274
+C(O)c1ccnc(-c2cn(Cc3ccccc3Cl)cn2)c1	49
+Nc1cc(-c2cn3nc(ccc3n2)Cl)ccc1C	0
+c1(-c2cnccc2)nc(Oc3cccc(C#N)c3)c(cn1)C(=O)O	6
+c1(-c2cnccc2)nc(Oc3cccc(C#N)c3)c(cn1)C(=O)OCC	185
+c1c(N)cc(-c2csc(n2)-c3cncnc3N)cc1	0
+c1(ccnc(-c2nc(C)cs2)c1)C=O	39
+c1(-c2nc(C)cs2)nccc(CO)c1	98
+c1ccccc1CNc2c(C#N)c(-c3ccc4OCOc4c3)nc(N)n2	10421
+c1(-c2nc3c([nH]2)ncc(N)c3)c(Cl)ccc(NC(=O)c4occc4)c1	13
+c1(-c2nc3c([nH]2)ncc(c3)Br)c(Cl)ccc(N)c1	0
+c1c(N)cc(-c2nccc(OC)c2)cc1	0
+c1(c(-c2ncccc2)cc(c(c1N)F)Br)I	0
+c1(cc(CO)c[nH]1)-c2ncccc2	351
+Nc1c[nH]nc1-c2ncccc2	209
+c1(-c2nnnn2C)cc(ccc1)N	0
+c1cc(ccc1)OC(=O)Nc2cc(-c3n(nnn3)C)ccc2	90
+c1cc(ccc1CC(C)(C)C(N2CCCC(CNC(=O)Nc3cc(-c4n(nnn4)C)ccc3)C2)=O)F	10
+c1(-c2noc(n2)C)ccc(C)c(NC(=O)c3n4c(nc3)ccc(Br)c4)c1	466
+n1c(cnn1Cc2nc(co2)COC)NC(=O)c3c(-c4cc(C)ccc4)oc(n3)C	10422
+c1ccccc1-c2c(c(F)ccc2)C#N	11
+s1c(Br)c(C(Nc2c(cc([N+]([O-])=O)cc2)O)=O)cc1C	10423
+c1(Br)c(C)c(C(=O)O)no1	6
+C=1C(=O)N(c2c(cnc(n2)SC)C=1)Cc3ccccc3Br	10424
+c1cc(ccc1Oc2ccc(cc2)CN(Cc3c(cccc3)Br)c4c(c(ccc4)[N+]([O-])=O)C)CCC(OC)=O	507
+C1CN(CCN1Cc2c(cccc2)Br)c3ccc(cc3)C(OCC)=O	131
+O(C(=O)CCc1cncn1Cc2ccccc2Br)C	10425
+c1cc(ccc1)COc2nc(c(Cl)cc2)Br	430
+c1cc(ccc1)-c2cccc(N)c2C#N	11
+c12c(Cl)nccc1c(Br)ccc2	174
+c1c(C)oc(c1)CNc2ccc3c(Br)cccc3n2	554
+c1c(Br)cc(cc1N)Br	0
+c1c(Br)cc(cc1OCc2ccc(cc2)OC)Br	1118
+c12c(CCN(C1=O)c3cc(cc(Br)c3COC(C)=O)F)n4c(CCCC4)c2	1464
+c1(Br)cc(cc(Br)c1)[N+](=O)[O-]	480
+CC(C)c1c(OC)cc(c(Oc2c(Br)cc(cc2Br)CC(OC)=O)c1)C(c3cc(C)ccc3)=O	222
+[nH]1c(CCCCCCC(OC)=O)nc2cc(ccc12)Br	791
+Cc1cccc(C)c1-c2cccc(C(=O)OC)c2C	11
+c1(cc(cc(C)c1-c2cccc(c2C)C(OC)=O)OCOC)C	11
+C(O)c1c(cccc1Br)OC	49
+c1c(CO)c(c(Br)cc1)C	49
+c1cc(ccc1Oc2ncc(Br)s2)O	4960
+c1cc(ccc1Nc2ccc(cn2)-c3n(CC)ccn3)Cl	4795
+COc1cc2c(C)coc2cc1	10426
+c1(C(=O)C)c(ccc(OC)c1)OCC(=O)O	4
+c1(cccc(OCc2cc(c(cc2)Cl)Cl)c1)C(=O)COc3c(ccc(C#N)c3)F	702
+Oc1c(cccc1)N(C(c2cc(c(cc2)Cl)Br)=O)C	5
+c1cc(ccc1)CCN2CCc3c(ccc(Oc4ncc(C(N)=O)cc4)c3)CC2	28
+c1(c2ccc(cc2sc1CC)Oc3c4c(ncc3)cc(C(=O)N5CC(CC5)OC)s4)C(NC)=O	680
+Cn1c2ccccc2c(CNC)c1	3143
+c1ccccc1COC(=O)NCC2CCCC(C2)NC(c3c(onc3-c4c(cncc4)F)C)=O	5006
+c1cc(ccc1CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O)[N+]([O-])=O	259
+c1ccccc1COc2ccc(Cl)cc2Cn3cc(NC(c4c(Cl)cccc4F)=O)cn3	1404
+c1(c(F)c(c(c(F)c1F)F)OC(=O)c2[nH]c(c(c2)Br)C)F	852
+O=Cc1cc(C(=O)O)cc(C)c1	39
+C(C(Oc1cc(cc(Oc2cc3c(cc2)C(N(CO3)C)=O)c1)C(=O)O)C)OC	46
+c1cc(ccc1CNC(c2c[nH]c(c2)-c3n[nH]c4c3cccn4)=O)Cl	56
+c1ccccc1CNC(c2cnc3[nH]ccc3c2)=O	56
+c1cccc2c1Sc3ccccc3C(N2)=O	67
+c1cc(ccc1CCC(=O)OC)S(C)(=O)=NC(=O)c2cnc(N)c(C#Cc3cccc(c3)NC(=O)c4occc4C)c2	3144
+C1CC2N(c3c(cc(CO)cn3)NC2=O)CC1	382
+Nc1sc(C(=O)OC)c(CO)n1	88
+C(c1ccc(CO)nc1Cl)(=O)OC	398
+c1ccccc1COc2ccc(cc2)-c3nc(cc(C(=O)OC)c3N)Br	119
+Nc1cc(OCCOC)c(cc1Cl)C(=O)O	1
+c1cc(ccc1C2(O)CN(CC2)CCCOc3cc(OC)c(cc3C(=O)OC)Cl)Cl	28
+c1cc(c(C(Nc2cc(C(=O)O)ccc2)=O)cc1)C	1
+c1cc(ccc1CN2Cc3c(ccc(Cl)n3)C2=O)OC	10427
+c1(C(=O)OC)ccc(Cl)nc1CCl	174
+C1CCC(C(C1)C)Nc2c(cc(C(=O)OC)cc2)NC(=O)Cc3cncs3	33
+c1c(c(OC)c(Br)cc1)CO	98
+C(=O)(O)c1[nH]c(C)c(Cl)c1Cl	6
+c1cc(Br)c(c(C(=O)O)c1OC)Cl	6
+O=S(=O)(c1ccccc1)Nc2c(c3c(CCCC3)s2)C(=O)OCC	10428
+c1ccccc1COc2ccc(cc2-c3c(-c4cccc(n4)C(=O)OCC)cccc3)Cl	119
+c1cc(ccc1)COc2c(C=3CCCCC=3c4nc(ccc4)C(=O)OCC)cc(Cl)cc2	3061
+c1c(nn(-c2c(Cl)cccc2)c1Sc3ccc(C)cn3)C=O	1406
+c1(C(C(N)CO)C)[nH]cnc1	95
+c1(ncccc1Cl)C(CO)C	44
+c1cc(ccc1C2CC2C(NC(c3cc4CCOc4cc3)C)=O)Cl	9
+c1c(N)cc(C(C)N)cc1	0
+c1ccccc1C(Cc2ccc(cc2)OCC(O)c3nc(NC)ccc3)CC(OCC)=O	1791
+C1N(CCc2c(c(C)sc12)CCBr)C(=O)C	5007
+c1cc(ccc1Cl)CCNC(=O)c2cc(c(cc2)Cl)[N+]([O-])=O	93
+c1ccccc1C(C)(C)NC(=O)c2cc(Cl)c(cc2)F	93
+c1cc(ccc1C#N)NC(c2ccc(OC)cc2[N+]([O-])=O)=O	50
+C(c1ccc(O)c([N+]([O-])=O)c1)(N2CCOc3ccccc23)=O	448
+o1nc(C)nc1C(C)NC(=O)c2cc(cc(-c3ccc(C)cn3)c2)-c4occn4	14
+c1(C(NC(C)=O)CCO)cccc(F)c1	44
+c1(cccc(F)c1)C(CC=O)NC(C)=O	24
+CCC(=O)CNC(c1ccc(C)nc1Cl)=O	86
+c1c(C(NCC)=O)cccc1C(=O)O	1
+c1(C(NCc2cc3c([nH]c(C(=O)OC)c3)nc2)=O)c(C)ccc(N)c1	0
+c1c(c(O)ccc1)C(Nc2cc(ccc2)F)=O	173
+c1cc(C(C#CC(OC)=O)=O)cc2c1OCO2	3145
+O(C)c1ccccc1Nc2c(c(C(=O)O)ccc2)C(O)=O	1
+O=C(c1c(c(Nc2ccc3OCOc3c2)ccc1)C(O)=O)O	1
+c1cc(c(Cn2c3c(c(C(OC)=O)ccc3)c(C=COC)c2)cc1Cl)OCc4c(F)cc(Cl)cc4	5008
+C1(C(CCNC1)NC(c2cc(Cl)c(C)[nH]2)=O)OCC	215
+c1cc(ccc1C(=O)OC)-n2c(C)nc3c2cccc3	5009
+c1ccccc1C(C)n2c3ccccc3c(C(OCC)=O)c2C	10429
+c1(C=O)cc(c(cc1)-n2cc(nc2)C)OCC	431
+c1c(ncn1-c2cc(Cl)ncn2)C	10430
+c1cc(ccc1C(OC)=O)-c2c(ccc(c2)N)C	11
+c1(cc(c(C)cc1)Br)C=O	39
+c1cc(ccc1-c2cn3cc(c(cc3n2)C)Br)N(C)C	440
+c1(C)c(C#N)ncc(c1)C=O	200
+Cc1nccc(C)c1CO	351
+c1(C)n(nc(C)c1CC(=O)NCc2ccc(cc2Cl)F)CC(=O)OCC	9
+c1cc(ccc1OC)C(c2cccc(C)c2F)=O	705
+c1(C)cc(N)c([N+]([O-])=O)cc1F	106
+c1(I)ccc(C)cc1C(=O)N2C(C)CCCC(COc3ccc(c(C)c3)F)C2	30
+c1ccccc1Oc2c(cc(cc2)[N+](=O)[O-])C	46
+c1cc(ccc1Cl)-c2c(cnc(F)c2)C	1164
+c1(C)c(N)cc(CCO)c(Cl)c1	44
+n12cc([N+]([O-])=O)cc(C)c1nnc2C	757
+c1(C)cc(-c2cnccc2)ncc1N	13
+Oc1c(cccc1)NC(c2ccc(C)c(Br)c2)=O	67
+c1cc(ccc1Br)Oc2cc(c([N+]([O-])=O)cc2C)C	415
+c1(C)c(Br)cc(cc1)CO	217
+c1ccc2c(sc(n2)N3NC(c4cc(Br)c(C)cc4)=CC3=O)c1	1916
+c1(c(N)ccc(OCC)c1)C	0
+C(c1cccc(C=CC(c2cc(C)c(cc2)O)=O)c1)(=O)O	307
+c1cc(ccc1Oc2c(C)cccc2)-c3cccnc3N	754
+C(CCC)(c1c(c2c(nc1)c(C)ccc2)O)=O	3523
+c1(C)c(n(C)nc1)-c2cc(C(=O)O)sc2Cl	1
+c1ccc(c2cc[nH]c12)-c3cc4c(c[nH]n4)c(NC(c5n(C)ncc5C)=O)c3	187
+c1(C)c(n(C)nc1)C(=O)O	1
+c1(C)c(ncc(N)c1)C(OCC)=O	13
+c1(C)c(CO)sc(Br)c1	59
+O=Cc1c(Br)cc(C)c(OCC)c1	39
+c1(C)cc(Br)c(CO)cc1OCC	49
+c1(ncc(cc1[N+]([O-])=O)Cc2cnccc2)NCCCc3ncc(cc3C)Br	70
+c1cc(ccc1-c2nc(nc(N3CCN(c4ncc(cc4C)Br)CC3C)c2)N5C(C)CCC5)F	54
+c1(ccc(C(=O)NCc2ccc(C#N)cc2O)cc1C)F	14
+c1(cc(cnc1N2C(COC)CCC2)-c3onc(-c4cc(ccc4OC)F)n3)C	1828
+c1cc(c(C)cc1C2CO2)[N+]([O-])=O	3146
+c1(C)cc(C(CCC(=O)O)O)ccc1F	4
+c1(C)cc(c(CN)c(OC)n1)C	388
+c1(C)nc(cc(C=O)c1)CC	39
+c1(C)cc(Cl)c(cc1F)C(=O)O	1
+c1ccccc1CNc2cc(nc(N)n2)C	40
+c12CN(CCc1nccc2)c3cc(C)c(c(n3)N4CCC(F)C4)[N+]([O-])=O	43
+c1(C)cccc(C)c1-c2cc(C)c(cn2)[N+](=O)[O-]	140
+c1(c(N)cc(C)c(F)c1)N	0
+c1cnccc1-c2c3c(OCC3)c(cc2C)N	498
+c1cc(ccn1)-c2c3CC(Oc3c(cc2C)N)C	498
+c1cc(ccn1)-c2c(cc(c3c2CC(O3)COC)N)C	498
+c1(C)c(F)ccc(c1)NC(c2cccn2C)=O	187
+Nc1cc(C)c(nc1)CCCCN	51
+c1cc(ccc1F)CN2CCN(c3cc(C)c(C(OCC)=O)s3)C2=O	1083
+Clc1cccc(Cl)c1C(=O)Nc2c(cnc(Nc3cc(C)nc(C)n3)c2)[N+]([O-])=O	50
+CC(Nc1c2CCCC(c2c(c(F)c1)C)=O)=O	214
+Nc1c(N)c(c([N+]([O-])=O)c(C)c1)C	0
+c1(C)cc(c(N)cc1F)Br	0
+c1(cc(cc(C)c1)-c2nc(cnc2-c3cc(C)cc(c3)C)Cl)C	2903
+c1(C)cc(cc(C)c1)C(c2cc(C)cc(C)c2)N3C=CC=C(C3=O)C(=O)O	127
+c1c(C)cc(cc1Nc2c(c(C#N)ccc2)[N+](=O)[O-])C	275
+Cc1cc(cc(C)c1)Nc2c(C#N)c(SC)nc(SCC)n2	73
+c1(C)cc(cc(C)c1)Nc2nc(ccn2)-c3c(-c4ccccc4)sc(n3)N	1359
+c1(C)cc(cc(C)c1)NC(c2cccnc2SCc3ccnc(F)c3)=O	246
+C(C)CC(c1c(cc(C)cc1C)O)=O	4443
+C(c1c(C)cc(C)cc1O)C=C	423
+Cc1cc(cc(C)c1-c2cccc(C(O)=O)c2C)OCC3COC(C)(C)O3	1
+c1(C)cc(cc(C)c1-n2c3nc(C)cc(NCCNCCc4ccc(c(OC)c4)OCC)c3nc2)C	284
+c1(C)cc(cc(C)c1-n2c3nc(C)cc(NCCCl)c3nc2)C	15
+c1cc(ccc1)COc2cc(C)c(c(C)c2)CC(CC=C)C(=O)N3C(Cc4ccccc4)COC3=O	10431
+Cc1cc(cc(C)c1Cn2c(C(O)=O)cc3c2cc(C#N)cc3)C	1
+c1(C)cc(cc(C)c1NC(OCC)=O)CNc2cccc(c2)F	208
+c1(C)cc(cc(C)c1O)-c2oc3c(n2)c(OCCC)nc(Cc4ccc(cc4)Cl)n3	5
+Cc1cc(cc(C)c1OC)N	0
+c1c(C)c(c(cc1-c2nc(O)c3c(OC)cc(OC)cc3n2)C)OCC(=O)NCc4ccccc4	9
+c1c(C)c(c(cc1N)C)Oc2cc3c([nH]nc3cc2)CC(C)C	0
+c1c(C)c(c(cc1C#N)C)Oc2nc(Nc3ccc(cc3)C#N)nc4ccn(C)c24	744
+c1c(C)nc(cc1-c2nc3cc(cc(F)c3c(O)n2)F)C	748
+c1cc(ccc1)CN2C(CCCC(COc3cc(C)c(F)cc3)C2)C	126
+c1(C)cc(N)cnc1CCCC#N	13
+c1(C)cc(nc(Cl)n1)C#N	331
+c1(C)nc(Cl)nc(CO)c1	398
+c1(nc(Cl)nc(C)c1)C(=O)O	1
+c1(C)c(N)cnc(c1)C(OCC)=O	13
+c1cc(ccc1-c2ccccc2)C(N(C(=O)CN3C(=O)Oc4c3cc(c(C)c4)OC)C)CN5CCOCC5	10
+c1nc2c(cc(c(C)c2)O)s1	5
+c1(C)cc2c(scn2)cc1OC	3101
+c1cc(ccc1C#N)-c2cc(C)cc(n2)-n3c(C)ccc3C	119
+c1(C)ccc(Cl)c(Oc2c(c(F)cc(c2)Br)Cl)c1F	46
+c1(Oc2c(Cl)ccc(C)c2F)cc(cc(Br)c1)C#N	46
+c1c(C)c(c(cc1)C)-c2cc(COc3cc4cc[nH]c4cc3)ccc2	657
+c1cc(ccc1)Nc2c(N)ncc(-c3c(C)cccc3C)n2	10432
+c1ccccc1Nc2cccc(c2)-c3ncn(-c4c(C)cccc4C)c3	1370
+c1(C)cccc(C)c1CNc2cc(C(N)=O)cn3c(C)c(nc23)C	2951
+c1(C)cccc(C)c1CNc2c3nc(CO)c(n3ccc2)C	874
+c1(cccc(C)c1COc2cccc(c2)C#N)C	20
+c1cc(ccc1Nc2nc(Cl)nc3n(C=Cc4c(C)cccc4C)cnc23)P(C)(C)=O	914
+CC(C)c1onc(c1COC)COc2c(C)cccc2C	1043
+c1cc(ccc1OCc2c(C(C)C)onc2COc3c(C)cccc3C)-c4cc5cnc(C(OC)=O)cc5cc4	10433
+c1(C)cccc(Sc2ccc(cc2N)C)c1	0
+c1(n(CC(O)=O)nc(C)c1CC(=O)NCc2ccc(cc2Cl)F)C	3
+c1(C)n(nc(C)n1)-c2c(C)nn3c2oc(C)c3-c4c(cc(cc4)OC)C	10434
+c1(C)n(nc(C)n1)-c2c(C)nn3c2oc(C)c3-c4c(C)cc(O)cc4	5
+c12c(cccc1)C(=O)N(C2=O)OCC#Cc3cccc(-c4nc(C)cc(c4)OC)n3	10435
+c1(C)nc(Cl)cc(CO)c1	49
+c1(C)cc(nc(Cl)n1)C=O	178
+c1(C)nc(OC)ccc1N2CCCn3c4c(c(Cl)ccc4CO)nc23	295
+c1(C)nc(OC)ccc1N2CCCn3c2nc4c(Cl)ccc(C=O)c34	200
+c1(C)cc(CO)cc(n1)CC	49
+c1(C)nc(nc(C)c1)N2CCC3(CC2)CCCC(=O)N3Cc4c5c([nH]cc5)ccc4	5010
+c1(C)nc(on1)-c2cc(c(C)cc2)O	241
+c12c(COc3cc(-c4nc(C)no4)ccc3C)nn(C)c1ncnc2Cl	951
+c1(C)nc2c(NCc3c(C)cccc3CC)cc(C(=O)O)cc2n1C	6
+c1(C)nc2c(NCc3c(C)cccc3CC)cc(cc2n1C)Br	10436
+c1ccccc1C(NC(Cc2cc(NC(c3c(ccnc3C)C)=O)c(O)cc2)=O)c4c(cc(Cl)cc4)C	246
+c1c[nH]c2ccc(cc12)-c3c(C)sc(n3)NC(=O)Cc4ccc5OCOc5c4	1452
+c12ccccc1[nH]cc2C3C(CNC3)c4c5cccc6CCCn(c4)c56	15
+c1ccc2c(c1)[nH]cc2C=3C(N(C)C(=O)C=3c4cn(c5ccccc45)C)=O	10437
+C1CC(CCC1c2c(F)cc(cc2)Br)CCC	191
+c1cc(ccc1C#N)C(NNC(=O)C(C(C)O)Nc2ccc(c(Cl)c2C=C)C#N)=O	708
+CCc1c(n(C)nc1)-c2c(C)sc(c2)C(=O)OC	10438
+c1(ccc(cc1[N+]([O-])=O)-c2ccc(cc2C)C(=O)OC)CC	1393
+c1c2c(c(n(C)c2ccc1)CN(C)C(=O)C=Cc3cc4OCC(Nc4nc3)=O)C	404
+c1ccccc1C(c2ccccc2)N(CCN(CCCCNC(C=Cc3cnccc3)=O)C)C	711
+c1c(C=CC(N(Cc2n(c3c(cccc3)c2)C)C)=O)cccn1	404
+C(c1c2c(nn(C)c2C)ccc1CCC(OC)=O)(=O)OC	159
+c1(C=CC(Nc2cc(C=CC(O)=O)ccc2)=O)ccc3c(OCO3)c1	127
+CCCCCCOc1c(cc(cc1)CC[N+]([O-])=O)OCCCCCC	364
+c1(C(OC)=O)cccc2n(Cc3c(ccc(Cl)c3)OCc4c(F)cc(Cl)cc4)cc(C=O)c12	190
+C(OC)=Cc1c2c(ccc1OC)cccc2	10439
+c1c(C)c(ccc1CO)O	41
+c1(C=O)cc(Cl)c(cc1)CNc2ncccc2	10440
+c1cc(ccc1Cl)C(c2ccc(c(c2)Cl)F)O	257
+c1(Cl)c(ccc(CO)c1)-c2cc(ccc2)C#N	41
+c1(I)cc(ccc1)C=C	443
+C(c1ncccc1)(O)c2cc(OCC)c(cc2)[N+]([O-])=O	3059
+c1cc(cc(OCCC)c1OC)CO	41
+O(CC)C(C=Cc1cc(OCCCOC)c(cc1)O)=O	530
+c1(C=O)cc(OCCCOC)c(cc1)O	5
+c1cc(cc(Oc2cccc(C#N)c2)c1OC)CO	41
+c1(cc(c(F)cc1)O)C=O	5
+c1(C=O)cc(OC)c(cc1)-n2cnc(C)n2	2267
+c1(C=O)cc(c(F)cc1)OC=C	10441
+c1(c(F)cccc1)COc2ccc(C=O)cc2OC	22
+c1cc(ccc1O)C(C=Cc2ccc(O)c(c2)OC)=O	307
+c1(C=O)cc(c(cc1)OCc2ccc(nc2)OC)OCC	751
+Cc1c(COc2cc(ccc2OC)CO)nc(-c3occc3)o1	41
+c1c(c(Cl)cc(c1)CO)OCC=C	41
+Cc1c(COc2ccc(cc2OC)CO)nc(C=CC(OCC)=O)o1	41
+Cc1c(COc2ccc(cc2OC)CO)nc(-c3cc(ccc3)C#N)o1	41
+c1(cccc(C)c1-c2cc(ccc2)C=O)C	11
+C(C=Cc1cc(ccc1)Br)COC	5011
+c1cc(ccc1Cl)C(c2cccc(c2)Br)O	257
+c1cc(ccc1N=Cc2cc(Br)ccc2)C(OCC)=O	457
+c1cnccc1-c2ccnc3c2cc(cc3)C=O	10442
+c1cc(ccc1)C2C(N=C3NC(=O)C(=Cc4cc5c(OCC)c(cnc5cc4)C#N)S3)C2	10443
+[N-]=[N+]=NC1c2c(CCC1)cc(C=O)cc2	841
+c12cc(ccc1c3c(c(N)n2)nccc3)C=C	443
+c1cc(ccc1Cn2ncc3ccc(C=O)cc23)OC	3919
+OC(c1cc(OCC)c(cc1)OC)c2cc3c(n(C)nn3)cc2	257
+c12c(ccc(c1)C=C3SC(=NC3=O)NCc4ccc(cc4Cl)F)nc(NC)nc2OCC	3587
+c1c(Cl)c(c(cc1)Cl)N=C2NC(C(=Cc3ccc4nc(C)oc4c3)S2)=O	10444
+c1cc(ccc1)-c2ncnc3ccc(cc23)C=O	198
+c1c(OC)c(c(cc1)OC)C2N(C(=O)C(C2)C)Cc3ccc4sc(C)nc4c3	1737
+C(C=Cc1ccc(-n2ncnc2)c(F)c1)=O	10445
+S(c1ccc(CO)cc1F)C	41
+c1(CC)c(ccc(CO)c1)Br	41
+c1c(CC)c(ccc1O)OC	1437
+n1cc(-c2cc(F)c(cc2)C#N)oc1	2288
+OP(O)(=O)Cc1cc(C=O)ccc1O	228
+N(Cc1ccc2nc(SC)sc2c1)c3c(cc(C)cc3)[N+]([O-])=O	208
+c1(NCc2ccc3nc(SC)sc3c2)c(ccc(c1)Br)[N+]([O-])=O	208
+c1cc(ccc1)C(c2ccc3c(c2)cco3)O	704
+c1c(cc(C(O)c2cccc(F)c2)c(F)c1OC)C#N	1641
+c1c(cc(CO)cc1)OC(C)C(OC)=O	41
+C(Oc1cccc(CO)c1)CCCl	41
+c1ccccc1C(OCCOc2cc(C=O)ccc2)=O	10446
+O=S(C)CCOc1cccc(CO)c1	41
+CC=Cc1cccc(OCOC)c1	2053
+c1cc(ccc1)C(C(NCc2cc(ccc2)[N+](=O)[O-])C)F	42
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOC(C(C(=O)C)=Cc4cc([N+](=O)[O-])ccc4)=O	2395
+c1ccccc1C2(CCN(CC2)CCOCCOC(=O)C(C(C)=O)=Cc3cc([N+]([O-])=O)ccc3)c4ccccc4	2395
+c1cc(ccc1NCc2cc(ccc2)OC3CCCCO3)OCCN4CCCC4	208
+c1cc(ccc1-c2cc(nc3cc(ccc23)Cn4cc(C=O)cn4)C#N)F	309
+O=S(=O)(n1ccc2c(c(cnc12)C=O)Cl)c3ccc(cc3)C	276
+C(c1cc2ccc(cc2cc1)OC)CN	51
+c1ccccc1C(c2ccccc2)OC(C3=C(c4cnc(NC(=O)C)s4)CSC5C(C(=O)N35)NC(Cc6sccc6)=O)=O	952
+c1(c(CCO)cc(c(F)c1)F)OC	21
+c1cc(ccc1CC(C(=O)NC(CC2=CCCC2)C(=O)C3(CO3)C)NC(=O)C(NC(=O)Cc4sc(N)nc4)C)OC	207
+OC(Cc1c(cccc1)-n2nnnc2)=O	3
+C1Cc2ccc(Br)cc2CC(c3ccc(c(c13)C)OC)=O	214
+c1c(nccc1-c2cc(Cl)c(C=3C(N(C)c4c(C=3)cnc(Cl)n4)=O)cc2)C(=O)NC	10447
+CCc1ccnc(N)c1Br	2005
+C(c1cc2c(CCC2=O)[nH]1)(=O)OC	10448
+O(C(c1ccc(Cn2c(c(nc2CCCC)Br)C=O)c(F)c1F)=O)C	371
+c1ccc2cc3c(cc2c1)cc(cc3)Cn4c(CCCC)nc(Cl)c4C=O	371
+c1ccc(CNCCc2ccccn2)cc1CCOC3OCCCC3	42
+c1cc(C)n(c1C)-c2cc(C)cc(n2)CCc3cc(cc(C#N)c3)NCCc4ccccn4	250
+c1cc(ccc1C(=O)NCCc2ccccn2)OCCCCCCCCCCCCCC	93
+c1cc(ccc1[N+](=O)[O-])NCCc2ccccn2	60
+C1c2scc(C)c2C(C)=NC1	10449
+C(=O)Cc1ccc([N+]([O-])=O)cc1Cl	24
+c1(CCN)cc(C)cs1	157
+c1ccnc(N2CCC(F)C2)c1COc3c(c(ccc3)O)C=O	751
+n1n(Cc2occ(n2)COC)ncc1[N+](=O)[O-]	10450
+Fc1cccc(F)c1N2c3nc(NCc4ncc[nH]4)nc(-c5c(ccc(C(NCc6ccccc6)=O)c5)C)c3C=CC2=O	306
+Cc1onc(c1CNc2ccc(cn2)C(=O)OC)CCCC	70
+c1[nH]c2ncccc2c1CNc3c(ncc(Br)n3)N	941
+c1c(C(NCc2cccs2)=O)[nH]c3c1cc(cc3Cl)Br	81
+c1cc(ccc1C(=O)NCc2sccc2)Cl	93
+c1cnccc1SCCCNCc2cccs2	1130
+c1(cc(cc(F)c1C(=O)c2c[nH]c(c2)C(NCc3nnc(C)s3)=O)F)F	2406
+c1cc(ccc1-n2cncc2)S(=O)(=O)NCC3CN(c4cc(cc(OC)c4)Br)CCN3Cc5ccc(OC)c(OC)c5	71
+c1cc(ccc1Cl)C2(O)CN(Cc3cc(ccc3)OC)CC2	251
+c1(CN2CC(CC2)=O)cc(ccc1)OC	86
+c12ccccc1c3c(cccc3)nc2CN	18
+c1cc(ccc1Cl)-c2c(cncc2)CO	835
+c1(C=O)c(NC)cc(Cl)nc1	200
+c1(c(NC)nc(Cl)nc1)C=O	1195
+c1(c(NC)nc(SC)nc1)C=O	1195
+c1(cc(C)ccc1C=O)OC(CC=C)C	39
+c1(CO)cccc(-c2nc(C(Nc3c(cnc(C(O)=O)c3C)C)=O)c(cc2)C)c1	6
+c1cc(ccc1)CCCC(C(NC(C)c2nnc(Cc3cc(OC)c(OC)cc3)nc2O)=O)(C(C)=O)C	4901
+c1cc(ccc1)CCCC(C(O)C)C(NC(CC)c2nnc(Cc3ccc(OC)c(OC)c3)nc2O)=O	9
+c1(Cc2ccc(c(c2)OC)OC)nnc(c(O)n1)C(C)NC(C(CCCC=C)C(=O)C)=O	2299
+c1(nc(C)c2n1N=C(NC2=O)Cc3ccc(c(OC)c3)OC)C(C(=O)C)CCCC=C	5012
+c1cc(ccc1NC(=O)c2cc(c(nc2)Cl)Br)OC(F)(F)Cl	246
+c1cc(ccc1OC(F)(F)C)NC(=O)c2cc(c(nc2)Cl)Br	246
+c1cc(ccc1Cl)-c2cc(cnc2Cl)C(OC)=O	89
+c1(N)cc(c(Cl)nc1)Br	13
+C(C1CC1c2ncc(OC)cc2)Oc3nc(C)ncc3Br	145
+c1(cc2c(c(Cl)c1Cl)scc2)O	5
+c1cc(ccc1C=O)-c2c(Cl)cc(cn2)C(=O)NCC	140
+Clc1c(F)c(c(c(Cl)c1F)F)S(=O)(=O)Nc2cc(O)c(OC)cc2	69
+Nc1c(Cl)cc(cc1[N+]([O-])=O)O	106
+c1ccccc1CN2CCC(CC2)Oc3c(Cl)nccc3	1346
+C(c1c(cc(Cl)c(OC)c1N)Cl)(O)=O	1
+c1(cc(F)c(C)nc1)C(=O)OC	1372
+c1(Cl)c(cc(c(Cl)c1N)CN)F	162
+c1ccccc1COc2ccc(cc2Cl)C(=O)O	139
+c1cc(ccc1CCNC(c2cc([N+]([O-])=O)c(Oc3c(cc(CC(OC)=O)cc3)Cl)cc2)=O)Cl	415
+c1cc(ccn1)CCNCc2cc(-c3nc(NCCc4ccc(c(c4)Cl)O)ncc3)ccc2	96
+c1(C=O)cc(Cl)c(cc1)-c2cc(ccc2)C(=O)N	39
+c1(cc(ccc1O)Nc2ncnc3cccc(F)c23)Cl	73
+c1ccccc1COc2ccc(N)cc2Cl	139
+c1c(Oc2nc(nc(Cl)c2)SC)c(Cl)cc(OC)c1	185
+c1cc(ccc1C=O)CSc2cc(c(cc2)O)Cl	1128
+c1(Cl)c(ccc(S)c1)O	1180
+c1(nc2cc(F)c(F)cc2[nH]1)-c3c(Cl)nccc3	4860
+c1(c(nccc1)Nc2cc([N+]([O-])=O)ccc2)C(=O)O	201
+c1(Cl)c2c(c(C(=O)O)cn1)n(C)cc2	1
+c1(cc2c(c(Cl)ncc2)[nH]1)C=O	178
+c1cc(ccc1)CN2C=C(Cl)C=C(Br)C2=O	10451
+c1cc(ccc1Cl)Nc2c(cc(Br)cn2)Cl	201
+Cc1nc2c(OC)c(C(=O)OC)cc(Cl)c2[nH]1	791
+c1(Cl)cc(C(=O)OC)c(OC)c(N)c1NC(C)=O	0
+c1(Cl)cc(CO)c(OC)cc1O	98
+N(c1c(cc(c(n1)-c2cc(ccc2)F)C(OC)=O)Cl)Cc3cc(OC)c(cc3)OC	70
+C1(c2ccccc2C(=O)N1CCCOc3c(Cl)cc(cc3)C4=NNC(CC4)=O)=O	8
+Nc1cc(Cl)cnc1Br	13
+c1c(c(c(c(F)c1Cl)F)N)N	0
+Clc1c2c(C(CCC2)O)nc(C)c1	10452
+c1(Cl)cc(c(Br)s1)C=O	2873
+c1(Cl)cc(C(C)O)c(OC)c(c1Cl)I	74
+c1(Cl)cc(c(cc1O)F)CCCl	165
+C1CCCCC1(NS(=O)(=O)c2ccc(cc2)C)C(c3cc(Cl)cc(c3)Cl)O	71
+c1c(Cl)cc(cc1CCN)Cl	51
+c1c(Cl)cc(cc1C(c2c(CC)c(nc(OC)n2)OC)C#N)Cl	10453
+c1(cc(cc(Cl)c1-n2nc3c(c2)c(Nc4ncnc(c4)C)ncc3F)N)Cl	0
+Clc1cc(cc(Cl)c1Br)Nc2nc(OC)nn2Cc3ccc(cc3)OC	10454
+c1c(Cl)c(c(cc1C(NCCC)=O)Cl)C(c2c3c(c(NC(C)=O)ncc3)[nH]c2)=O	787
+c1(Cl)cc(cc(Cl)c1CO)[N+](=O)[O-]	1146
+c1cc(ccc1)COc2cc(Cl)c(c(Cl)c2)CO	41
+Clc1cc(cc(Cl)c1C=O)[N+](=O)[O-]	39
+c1(cc(cc(Cl)c1Oc2cc(c(O)cc2)C(NCCCCCCCCC)=O)[N+](=O)[O-])Cl	5
+Clc1cc(cc(Cl)c1Sc2cc3ccccc3cc2)N	0
+Clc1cc(cc(Cl)c1Sc2nc3c(ccc(C#N)c3)s2)N	0
+c1cc(ccc1C(C)Nc2nc(Cl)cc(c2)C(C)=O)F	70
+c1cc(ccc1)S(=O)(=O)n2cc(c3cc(cnc23)Cl)C=O	276
+c1(-c2c(cc3ncoc3c2)Cl)cnc(cc1)NC(c4c(cccc4)Cl)=O	330
+c1cc(ccc1O)C(c2ccc(cc2)OCCCl)=C(c3ccc4c(cc(Cl)o4)c3)CC	1051
+N(Cc1n(nc(C)c1)C)c2c(Cl)ccc(c2)O	729
+c1(cc(cc(F)c1C#Cc2ccc(c(NNC(OC)=O)c2)Cl)F)F	455
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4cc5C(=O)C=C(Oc5cc4)C(OCC)=O	1411
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4ccc5c(cc(C(=O)OC)cc5)c4	1411
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4cc5c(c(ccn5)C(=O)OC)cc4	1411
+c1c(Cl)c(c(cc1)Cl)-c2c(c(on2)C(C)C)COc3cc4ccc(cc4cc3)-c5ccc(C(OC)=O)cn5	1411
+c1(Cl)cccc(Cl)c1-c2noc(c2COc3ccc(cc3)-c4ccc5c(c4)ccc(C(O)=O)n5)C6CCCC6	1
+Clc1cccc(Cl)c1C(=O)NC(Cc2ccc(cc2)OCCCCl)C(O)=O	4
+Clc1cccc(Cl)c1C(=O)NC(Cc2ccc(cc2)C3CCN(CC3)S(=O)(=O)C)C(O)=O	4
+c1c(Cl)c(c(cc1)Cl)CC=O	24
+c1cc(ccc1OCc2c(CCc3c(cccc3Cl)Cl)noc2C(C)C)-c4cc5c(cccc5C(=O)OC)cc4	20
+c1cc(ccc1OCc2c(CCc3c(cccc3Cl)Cl)noc2C(C)C)-c4ccc5c(cc(C(=O)OC)cc5)c4	20
+c1(Cl)cccc(Cl)c1COc2cc(-c3cc4c(cc3)[nH]c(C(O)=O)c4)cnc2N	6
+c1(Cl)cccc(Cl)c1COc2c(N)nccc2	161
+c1cc(ccc1N)Oc2cc(C)ncc2	242
+c1cc(ccc1C(=O)Cc2cc(Cl)ccn2)OC	1501
+c1cc(ccc1Cc2noc(c2)-c3ccc(N)nc3N)OCc4nccc(c4)Cl	412
+Clc1ccnc(CNc2nc3c(o2)c(cc(c3)C(=O)OC)OC)c1	1527
+c1ccn(c1)-c2ccnc(CO)c2	10455
+c1cc(ccc1)N2N3CCCC3=C(C2=O)C(=O)Nc4ccc(Oc5cc(C(N)=O)ncc5)cn4	5013
+c1ccccc1N2N(C(=C(C2=O)C(Nc3cc(c(Oc4ccnc(c4)C(N)=O)cc3Cl)F)=O)C)C	242
+c1ccccc1N2N(C(=C(C(Nc3ncc(Oc4cc(C(N)=O)ncc4)cc3)=O)C2=O)C)C	5013
+c1(c(Cl)cnc(Cl)c1)Nc2c(C(NC)=O)cccc2F	2272
+c1(ncc(c(Nc2c(cccc2)C(=O)NC)c1)Cl)Cl	2272
+c1(C=O)cc2c(cc1)ncc(Cl)n2	760
+c1ccccc1-c2c(c(Cl)cnc2)N3CC(C3)c4nc5cc(C)ccc5[nH]4	10456
+Clc1csc(c1)-c2nc(ccc2)C	10457
+c1ccccc1N2C(=O)c3c(C=C2C(Nc4c(I)cnc(Cl)n4)C)cccc3-c5cn(nc5)C	2596
+n1c(F)nc2c([nH]cn2)c1NCc3cnccc3	516
+c12nc[nH]c1nc(Cl)nc2NCc3cc(OC)c(cc3)OC	516
+c1cc(ccc1Cl)Nc2c3[nH]cnc3nc(Cl)n2	1185
+c1cc(ccc1)Oc2cc(cnc2Nc3nc4c(nccc4)s3)Br	10458
+c1c(C=Cc2cc(ccc2)Nc3c(cccn3)[N+]([O-])=O)cccn1	201
+c1c(cccc1I)Nc2c([N+]([O-])=O)cccn2	201
+c1c(cccc1C=C)Nc2c([N+]([O-])=O)cccn2	201
+c1ccccc1Nc2ncccc2[N+]([O-])=O	201
+c1ccccc1Oc2c(cccn2)[N+]([O-])=O	136
+c1cc(ccc1C(=O)C(OCC)=O)Nc2c(cccn2)[N+]([O-])=O	201
+c1cc(ccc1Nc2c(cccn2)[N+]([O-])=O)Cl	201
+c1ccccc1CN2CCC(CC2)Nc3c([N+](=O)[O-])cccn3	70
+c1(cccnc1Nc2cc(ccc2)C=Cc3cncc(Br)c3)[N+]([O-])=O	201
+c1nc(ncc1)N2CCC(CC2)Oc3c(C)c(Cl)ncn3	145
+c1cc(ccn1)Sc2sc(NC(=O)C)nc2	10459
+c12ncccc1sc(n2)Oc3cc4sc(C(=O)OC)cc4cc3	10460
+c1cc(ccc1)-c2cc(C(=O)OC)c(cc2F)OC	11
+c1cc(ccc1)CSc2c(cc(N)c(c2)C=CC(=O)OCC)F	607
+c1(F)c(Br)cc(C=O)c(N)c1	0
+c1(F)c(Br)cc2N3C(c4c(cc(cc4)F)Oc2c1)C(N)CCC3	10461
+c1(CO)c(F)cc(cc1O)Br	49
+c1(F)c(Cl)ccnc1CO	174
+Fc1c(F)c(c(c(F)c1)F)CC(Nc2ccnc(O)c2-c3[nH]c4cc5c(c(c4n3)C)CN(C5=O)CCN(C)C)C	1598
+C(O)c1ccc(F)c(F)c1C	49
+c1cc(ccc1)COc2c(cc(c(F)c2)F)[N+]([O-])=O	22
+c1(OC)cc(C(=O)Nc2c(c(ccc2F)O)F)cc(-c3cc(F)ccc3)c1	67
+c1(cc(c(c(c1)C(=O)Nc2c(c(ccc2F)O)F)C)C)-c3cc(F)ccc3	67
+c1(cc(ccc1)F)-c2cc(C(Nc3c(F)ccc(O)c3F)=O)c(C)c(F)c2	67
+c1(cc(C)c(OC)c(c1)C(=O)Nc2c(c(ccc2F)O)F)-c3cc(F)ccc3	67
+C1CC(c2c(F)c(cc(F)c12)Br)=O	214
+c1c(c(F)cc(C=O)c1N)Br	0
+c1c(ccc(Oc2cc(N)c(cc2Br)[N+]([O-])=O)c1F)F	46
+C1CC(CCN1c2ncc(cn2)CC)n3c4cc(F)c(Br)cc4cc3	3705
+c1(c(cccc1)-n2c3cccc(N)c3cn2)F	2993
+c1cc(ccc1C)-c2ccccc2F	2111
+c1(F)c2Cc3c(ccc(C=CC)c3F)-c2ccc1	2576
+c1(F)c2Cc3c(ccc(CCC)c3F)-c2ccc1	374
+[nH]1c2c(c(NC(c3nccnc3)=O)c1)c(F)c(cn2)Br	1285
+c1(F)c2c(N)c[nH]c2ncc1Br	13
+c1(F)c2c(N)c[nH]c2ncc1Cl	13
+c1(F)c2c(N)c[nH]c2ncc1OCC	13
+c1(c(cc(F)c2c1cccc2)C(O)=O)O	5
+c1(F)cc(c(cc1C)C(NCc2c(cc(cc2)Br)F)=O)OCC(=O)O	3
+Fc1cc(c(cc1C)C(NCc2c(cc(cc2)Br)F)=O)O	5
+c1(cc(cc(F)c1)Nc2c(C(OC)=O)cccn2)F	3147
+c1(F)cc(cc(F)c1)N2C(c3cc(cc4C(=O)C=C(N5CCOCC5)Oc34)C(O)=O)CCC2	1
+c1c(F)cc(cc1Oc2cc(OC(C)COC)cc(c2)C#N)F	304
+c1cc(ccc1Oc2cc(F)cc(c2)F)O	5
+c1(F)cc(cc(F)c1)Oc2ccc(cc2)OC(C)CO	44
+c1(F)cc(cc(F)c1-c2cnccc2)N3CC(CN)OC3=O	18
+Fc1cc(cc(F)c1-c2scc(n2)C(O)=O)OC	1
+c1(F)cc(cc(F)c1C2=CCN(CC2)C(=O)C3OC(C)(C)OC3)N4CC(CO)OC4=O	59
+c1(F)cc(cc(F)c1F)NC(Nc2cc(ccc2)Nc3ccc4c(c3)NC(=O)C4=Cc5ccc[nH]5)=O	292
+c1c(c(F)cc(I)c1)Nc2c([N+](=O)[O-])c(F)cc(c2)F	275
+c1(cc(cc(F)c1[N+](=O)[O-])N(c2cc3oc(c(C(NC)=O)c3cc2C4CC4)-c5ccc(cc5)F)S(=O)(=O)C)F	3058
+Nc1cc(cc(c1C(=O)O)F)Br	0
+c1(F)cccc(F)c1-c2c3OC(Cc3ccc2)CN	18
+c1(F)cccc(F)c1-c2cccc3CC(COS(=O)(=O)c4ccc(cc4)C)Oc23	36
+c1cc(ccc1-c2c3c(O)nccc3n(-c4c(F)cccc4F)n2)N5CCOCC5	104
+Fc1cccc(F)c1C(=O)C(C(OCC)=O)=[N+]=NS(=O)(=O)c2ccc(cc2)NC(=O)C	10462
+c1c(F)c(c(cc1)F)C(Nc2ccn(n2)Cc3ccc(cc3OCc4ccccc4)Cl)=O	309
+c1ccccc1COc2ccc(c(c2)C)Cn3ccc(NC(c4c(cccc4F)F)=O)n3	309
+c1ccccc1COc2ccc(c(c2)Cn3ccc(NC(c4c(cccc4F)F)=O)n3)Cl	309
+c1ccccc1COc2cc(c(Cn3nc(NC(c4c(cccc4F)F)=O)cc3)cc2)Cl	309
+c1(F)cccc(F)c1N2C(=O)C=Cc3c(-c4cc(C(NCc5ccccc5)=O)ccc4C)nc(nc23)SC	14
+c1cc(ccc1COc2c(cc(Br)cc2)CN3CCC(CC3)(CNC(Nc4c(cccc4F)F)=O)O)Cl	282
+c1(cccc(F)c1Oc2ccc(cc2)[N+]([O-])=O)F	46
+c1ccccc1COc2cccc(F)c2[N+](=O)[O-]	57
+c1(c(F)c(C(O)=O)c(cc1)Cl)OCc2c(F)cccc2	22
+c1(F)cccc(F)c1NC(c2oc(cc2)Cc3cc(ccc3OCc4c(F)cccc4)Cl)=O	22
+c1cc(cc(-c2nc(-c3ncoc3)n(n2)Cc4c(F)cccc4)n1)Br	4022
+C=1(C(N(C=C(C=1)Cc2ccc(cc2F)F)Cc3c(F)cccc3)=O)I	10463
+c1cc(ccc1OCc2c(F)cccc2)-c3cccc(C(OC)=O)n3	22
+c1cc(ccc1CO)CCN2C=CC(=CC2=O)OCc3c(F)cccc3	3776
+c1cc(ccc1N2CCn3c(cc(OCc4c(cccc4)F)n3)C2=O)F	10464
+c1cc(ccc1OCc2c(F)cccc2)CSCCC(=O)OCC	22
+c1(c(c(Cl)ccn1)C#Cc2cnc(cc2)N)CC	2281
+c1(I)cc(c(OC)cc1F)O	173
+c1(C(=O)O)cc(Cl)c(c(I)c1)OC	1
+c1ccccc1C(CC)C(Nc2ccc(c(C(=O)N)c2)I)=O	26
+c1(I)c(cc(N)cc1)C(=O)N	0
+c1cc(ccc1)C#Cc2c(NC(C)=O)n[nH]c2C	1249
+c1ccccc1-c2c3c(cnc(Br)c3)n(n2)C4CCCCO4	1196
+Fc1cnc2c(c1I)c(C(=O)c3c(F)c([N+]([O-])=O)ccc3F)c[nH]2	3962
+c1cc(ccc1)Sc2c(cc(cc2)F)C(O)=O	826
+c1cc(ccc1-c2cc(ccc2)NC(Nc3cccc4CCC(O)Cc34)=O)C	134
+Oc1c(c(c2c(n1)nc[nH]2)N)-c3nc4c([nH]3)cccc4	10465
+CCCCn1cnc(c1N)C(=O)N	2840
+c1cc(C(Nc2c(C(=O)N)nc(s2)Nc3cc(F)ncc3)=O)cc([N+]([O-])=O)c1OCCOC	10466
+c1cc(ncc1Br)OCC(Nc2c(C(=O)OC)csc2)=O	4872
+c1cccc(CSc2ccc(F)cc2N)c1C(OC)=O	1128
+c1(N)c(ccc(O)c1C)C#N	4366
+c1cc(ccc1C)S(=O)(=O)Nc2cc(ccc2NC(C)CO)Br	69
+c1c(ccc2nc(-c3ccc(N)c(I)c3)sc12)O	5
+c1cc(ccc1COc2cc(Br)cc(Nc3cnccc3)c2)OC	2998
+c1cc(ccc1)COc2cc(Br)cc(Nc3cnccc3)c2	2998
+c1c(cc2c(n[nH]c2c1)C(Nc3cccnc3)=O)Br	510
+c1cc(ccc1COc2ccc(C=O)cc2C(=O)Nc3cnccc3)F	487
+c1cc(ccc1)OC(=O)Nc2cnccc2	950
+n1c(Cl)c([N+]([O-])=O)c(nc1)Nc2ccnc(Cl)c2	73
+c1cc(Br)nc(c1[N+]([O-])=O)Nc2ccnc(Cl)c2	1759
+c1ccccc1CC(=O)Nc2cc(O)ncc2	26
+c1c(cn[nH]1)N2C(=O)c3c(cc(cc3C)-c4cnc(OC)c(OC)c4)C2	10467
+c1cc(ccc1)OC(=O)Nc2ccc(nc2)-n3nnnc3	950
+C(C)OC(c1cnc(c(C)c1)Nc2ccc(C)nc2)=O	1970
+c1ccccc1-c2ccc(cn2)N	119
+c1cc(ccc1)OC(=O)Nc2ccc(C#N)nc2	950
+N(c1cnc(cc1)C(OC)=O)C(=O)C2CCCN(c3nc(c4ncsc4n3)Nc5ccc(OC)c(c5)OC)C2	469
+c1(ncc(c(n1)CCc2ccccc2C(C(=O)N)C)Cl)Nc3cnncc3	949
+c1cc(cc(c1OC)C(c2c(N)nc(cc2)Cl)=O)F	3060
+c1cc(ccc1F)C(c2c(N)nc(cc2)Cl)=O	10468
+c1ccccc1Nc2cc3c(sc(c3C)-c4nc(N)ncc4)cc2	3099
+c1cc(ccc1C#N)Nc2ncc(c(NCCC)n2)C(OCC)=O	490
+O=S(=O)(c1ccc(cc1)Nc2nc(c(F)cn2)-c3cnc(n3C)C)C	490
+C(C#C)N1C(NC(N(C1=O)c2c(Cl)cc(F)c(c2)N)=O)=O	106
+c1(N2CC(CNC(C)=S)OC2=O)ccc(-c3scc(n3)Cn4ccnc4)c(F)c1	199
+c1cc(ccc1-c2c(cc(N3C(=O)OC(COc4nocc4)C3)cc2)F)CO	134
+c1ccccc1Cn2nnc(c2)-c3c(cc(cc3)N4CC(OC4=O)Cn5nnc(c5)C)F	2352
+c1(N2CCOCC2C)nc(Cl)nc(CO)c1	398
+c1(cc(N2CCOCC2C)nc(n1)Cl)C(=O)O	1
+c1cc(ccc1OCc2csc(NC(=O)C)n2)CCCCn3ccnn3	2088
+c1(c(cc(N2C(=O)C=CC=C2)cc1)C(=O)O)NC(=O)CCNC(c3sc(cc3)Cl)=O	1
+Nc1c(C(=O)C)cc(c(c1)OC)CC	106
+Nc1ccc(c(CC)c1F)Cl	106
+Nc1c(C(=O)OC)cc(c(Cl)c1)[N+]([O-])=O	106
+c1cc2c(c(c(C(=O)C)c(O)n2)O)cc1I	10469
+c1(NC2CCCOC2)c(N)cnc3ccsc13	13
+c1cc(ccc1Oc2c(c(c(cn2)[N+]([O-])=O)NCC)Br)F	136
+c1c(N)c(NCc2ccc3c(oc(SC)n3)c2)cc(Cl)c1Br	0
+c1c(cc(NCc2ccc3nc(SC)sc3c2)c(N)c1)Br	0
+c1c(cc(NCc2cncc(F)c2)c(N)c1)Br	0
+n1c(C(O)=O)c2c(cc(cc2)Nc3ccccc3C(OC)=O)n1C4CCCCO4	1
+c1(Nc2ccnc(n2)Nc3cccc(C(=O)O)c3)c(Cl)ccc4OCOc14	55
+c1cc(ccc1)COc2cc(F)c(F)cc2CCO	22
+Nc1c(O)c(Cl)cc(F)c1N2N=NN(CCCF)C2=O	0
+c12c(Cl)ccc(C)c1CCCO2	20
+Clc1cc(C(=O)OC)c(cc1)OCCCBr	5014
+c1(O)c([N+]([O-])=O)cc(cc1O)C(CO)=O	10470
+Nc1c(O)c(Br)ncc1	0
+Nc1c(O)cc(F)cn1	161
+c1(CN2C(=O)C=C(C)C(Cl)=N2)cc(ccc1)C(=O)OC	10471
+c1ccccc1COc2c(c(O)cc(c2)C(=O)OC)Br	22
+c1cc(ccc1)C=CC(=O)Oc2c(cc([N+]([O-])=O)cc2)[N+](=O)[O-]	5015
+Oc1cccc(O)c1N	0
+c1cc(ccc1)COc2nc(ccc2[N+]([O-])=O)Cl	1424
+c1(CN2N=C(Cl)C=CC2=O)cc(ccc1)C(=O)OC	10472
+c1(OC(C(OCC)=O)CCC=Cc2c(ccc(c2)OC)O)c(cccc1)OC	858
+c1ccccc1CC(C(O)C(O)=O)NC(=O)c2cc(cc(c2C)OC(C)=O)C	93
+c1cc(cc(c1OC)-c2cc([N+]([O-])=O)ccc2)CCN3C=CC=CC3=O	562
+c1(OC)c(OC)c(cc2nc(CO)ccc12)OC	453
+c1(OC)c(OC)nc(cc1)CN	421
+c1c(c(cnc1-c2cc(cnc2)C)-c3nccs3)C(=O)NCc4ccc(OC)c(OC)n4	14
+c1cc(c(c(F)c1F)COc2cc(N)c(Cl)cc2OC)OC	0
+C(Nc1c(c(ccc1C)O)C)c2cc(OC)cc(-c3cc(F)ccc3)c2	162
+C(Nc1c(c(ccc1F)O)F)c2cc(OC)cc(-c3cc(F)ccc3)c2	162
+c1(OC)cc(F)cc(CO)c1	49
+c1cc(N)c(Nc2c(C)cc(OC)cc2)cc1	0
+c1(OC)cc(CCN)cc(Br)c1	51
+O=Cc1cc(OC)cc([N+]([O-])=O)c1	39
+c1(-c2cc(F)ccc2)cc(cc(I)c1)O	5
+c12c(c(ncn1)Nc3cc([N+]([O-])=O)cc(OC)c3)scc2	10473
+c1cc(ccc1)CNCCn2nc(-c3cc(cc(F)c3)OC)c4c(N)ncnc24	10474
+c1(OC)cc(C(=O)O)cc(-c2cc(F)ccc2)c1	1
+c1ccccc1-c2cc(cc(OC)c2)C(OC)=O	11
+c1ccccc1COC(NC2C(OC)CN(c3cc(cc(C(=O)OC)c3)OC)CC2)=O	79
+c1c(OC)c(ccc1CNCC(Nc2cc(Br)cc(c2)OC)=O)OC	402
+COc1cc(cc(OC)c1)C#Cc2cnc(nc2)Nc3ccc(N4CCC(CC4)N5CCN(CC5)C)c(OC)c3	1472
+C1(CN(CC(C)N1C)c2ccc(cc2)C(Nc3cc(OCc4cc(OC)cc(OC)c4)[nH]n3)=O)C	4435
+O(C)c1cc(cc(OC)c1)NC(=O)c2c(F)cccc2F	50
+O(C)c1cc(cc(OC)c1)NCCNCc2ccccc2	1350
+c1(cc(cc(OC)c1)N2CC(CNS(=O)(=O)c3ccc(cc3)NS(=O)(=O)CC)N(Cc4ccccc4)CC2)OC	71
+O(c1cc(cc(OC)c1)OC2C(=O)N3CCCc4c(C23c5ccccc5)cccc4)C	10475
+O(c1cc(cc(OC)c1)OC2C3(N(CC(=O)N(CCC)c4c3cc(Cl)cc4)C2=O)c5ccccc5)C	5016
+c1cc(ccc1)CN2C(CN3C(C(Oc4cc(OC)cc(c4)OC)C3(c5cc(ccc25)Cl)c6ccccc6)=O)=O	5016
+c1ccccc1Cc2c(cc(cc2OC)Br)OC	394
+C(Oc1c(OC)cc(C)c(c1OC)C(=O)c2c(OC)ccc(Cl)c2C)(=O)CC	358
+c1c(OC)c(c(cc1CCO)OC)OCc2ccccc2	95
+COc1cc(cc(OC)n1)CCC(OC)=O	159
+O(C)c1cc(cc(OC)n1)C=O	39
+c1(OC)cc(CO)cc([N+]([O-])=O)c1	49
+Oc1c(ccc(C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O)c1)O	5
+c12c(c(cn1C)-c3cc4c(ncc(c4)Cl)[nH]3)cc(c(OC)c2)OC	10476
+c1(c(ccc(-c2cc(c(OC)cc2)F)c1)C(=O)O)[N+]([O-])=O	1
+c1(OC)ccc(C(NCCn2nnc(C(O)=O)c2)=O)c(c1OC)OC	1
+c1cc(ccc1C(C#N)NC(=O)c2nnn(c2)CCNC(c3c(c(c(cc3)OC)OC)OC)=O)Br	312
+O=Cc1cc(C)c(cc1OC)OC	2224
+c12cccc(c1CNC2=O)OC	1598
+COc1nc(nc(OC)n1)Oc2cccc(c2C(O)=O)Cl	426
+c1c2n3c(c(C(O)=O)cn3)c(OCC)nc2ccc1	6
+c1(nc(Br)cc(OCC)c1)C	174
+c1(c(OCC2Oc3ccccc3OC2)c4ccccc4cc1)C(O)=O	1
+c1cc(ccc1)NCCCCCCCCOc2cccc3ccccc23	1350
+c12c(cccc1)C(=O)N(C2=O)CCCCCCCCOc3cccc4ccccc34	851
+c1c(CO)c(c(OCCOC)cc1)OC	98
+c1cc(ccc1S(=O)(=O)N2CCOCC2)C=Cc3ccc(c(OCOC)c3)OCOC	722
+Clc1c(ccc(Cl)c1)Oc2c(N)ccc(c2)Cl	0
+c1(Oc2cccnc2)cc(cc(N)c1)F	0
+c1(Oc2cnc(cc2)N)cc(C)cc(NC(c3cc(nn3C)C)=O)c1	161
+CC(C)COc1cc(Br)cc(Sc2c(cc(OCC(=O)OCC)c(C)c2)C)c1	1336
+c1cc(cc([N+]([O-])=O)c1SC)C(Nc2cnc(cc2)-c3ccccc3F)=O	487
+c1(nc(N2CCc3c(C2)cnc(SC)n3)ccc1)C(=O)OC	323
+n1ccc(O)nc1Nc2cccc(-c3csc(n3)C)c2	1334
+c12c(C)csc1cc(Cl)c(F)c2	3148
+O(c1nc2c(nc1OC)cc(Cl)c(Cl)c2N)C	13
+c1(Cl)c(c(N)c(c(c1)Cl)C(=O)OC)OC	0
+O=S(=O)(C)c1cc(cc([N+](=O)[O-])c1)N	0
+c1c([N+]([O-])=O)c(C)ccc1C(C)O	74
+c1(-c2cn3nc(ccc3n2)Cl)cc([N+]([O-])=O)c(C)cc1	1749
+c1cc(cc([N+]([O-])=O)c1N)C2=CC(=O)c3ccc(c(c3O2)OC)OC	106
+c1(cc(C#N)cc([N+]([O-])=O)c1O)C(=C)C	5
+c1([N+]([O-])=O)c(cccc1)-c2cc(O)ccc2	5
+O=Cc1cccc2[nH]c(-c3c([N+]([O-])=O)cccc3)nc12	200
+Nc1ccc(Cl)c(Br)c1	0
+c1([N+]([O-])=O)ccc(Cl)c(-c2ncccc2)c1	4728
+c1(N)cc(C#N)ccc1NCC=C	0
+c1(N)cc(C(=O)O)ccc1NCC	0
+c1(N)cc(C(=O)O)ccc1NCCCC	0
+c1(N)cc(C(=O)O)ccc1NCCOC	0
+n1c2n(cc(Br)c1)cc(-c3c(Cl)ccc([N+]([O-])=O)c3)n2	10477
+c1(C)c(N)cc(c([N+]([O-])=O)c1)F	106
+c1ccccc1COc2ccc(cc2Cl)[N+](=O)[O-]	57
+c1ccccc1[Si](c2ccccc2)(OCC3=CC=CN(C3=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)(C)C	10478
+c1c(Oc2cccc3sncc23)c(Cl)cc([N+]([O-])=O)c1	46
+c1c(Oc2cc(cnc2)C(=O)OC)c(Cl)cc([N+]([O-])=O)c1	551
+c1cc(ccc1)-c2c(Cl)cc(cc2)[N+]([O-])=O	134
+O=C1N(CCO1)c2ccc([N+]([O-])=O)cc2Cl	10479
+C(O)c1ccc([N+]([O-])=O)cc1Cl	49
+c1cc(c(cc1)Sc2cc([N+]([O-])=O)ccc2C(=O)O)N	825
+c1(CCO)ccc([N+]([O-])=O)cc1Cl	21
+c1([N+]([O-])=O)cc(Cl)c(cc1)CC(=O)O	4
+c1c2c(-c3ccnc(n3)Nc4cc([N+]([O-])=O)c(cc4OC)F)c[nH]c2ccc1	55
+[N+](c1cc(c(OC)cc1F)Nc2nc(ccn2)-c3cn(C)c4ccccc34)([O-])=O	55
+Cc1c(nc(nc1)Nc2cc([N+]([O-])=O)c(cc2OC)F)-c3c4ccccc4n(C)c3	55
+n1ccc(-c2cnn3ccccc23)nc1Nc4c(OC)cc(c([N+]([O-])=O)c4)F	55
+n1ccc(-c2cnn3c2CCCC3)nc1Nc4c(OC)cc(c([N+]([O-])=O)c4)F	55
+O(c1cc(N)c(cc1CC)F)C(=O)OC	0
+Nc1cc(OCC=C)c(cc1)C#N	0
+c1cc(ccc1F)C2CCc3c(NCCNCCOc4c(ccc(c4)[N+]([O-])=O)C#N)nc(nc23)Cl	132
+c1(C(NCc2cc3c([nH]c(C(=O)OC)c3)nc2)=O)c(C)ccc([N+]([O-])=O)c1	14
+c1nc(ncc1NC(c2cc(ccc2C)[N+]([O-])=O)=O)N	4861
+C(O)c1c(Cl)ccc([N+]([O-])=O)c1	49
+c1cc(ccc1N)Nc2ccc([N+]([O-])=O)cc2C(=O)O	1370
+C(Cc1c(Cl)cc(F)c(N)c1)(OCC)=O	0
+C1CC1(Oc2cc([N+](=O)[O-])c(cc2Cl)F)C(=O)OCC	5017
+c1(cc([N+]([O-])=O)ccc1C(CCl)O)Br	74
+c1cc(ccc1C#N)CCOc2cc([N+]([O-])=O)ccc2	20
+c1ccc([N+]([O-])=O)cc1OCC2CO2	10480
+c1ccccc1OCCCCCOc2cccc([N+]([O-])=O)c2	8
+c1([N+]([O-])=O)cc(C(=O)O)ccc1NC	1
+c1(N)cc(ccc1NCCCl)C(=O)OC	0
+c1ccccc1C(Oc2c([N+](=O)[O-])cc(cc2)C(=O)C)CC	4214
+Nc1cc-2c(OCc3n-2cc(C(=O)OC)n3)cc1	0
+Nc1cc2OCCNC(c2cc1)=O	0
+Nc1cc2c(cc1)nc(o2)C	0
+c1cc(ccc1)COc2c([N+]([O-])=O)cc3c(CCC4C5C(C)(C(CC5)=O)CCC34)c2	22
+c1([N+]([O-])=O)cc2c(cc1F)ncnc2Nc3cccc(C#C)c3	73
+c1([N+]([O-])=O)cc2c(cc1F)ncnc2Nc3cc(c(cc3)OCc4cccc(F)c4)Cl	73
+c1cc(ccc1Nc2ncnc3cc(c([N+]([O-])=O)cc23)F)Oc4ccccc4	73
+c1(N)cnc(-n2nnnc2)cc1	13
+c1([N+]([O-])=O)ccc(c(CCO)c1)Br	95
+c1ccccc1C=2CCN(CC=2)CCC#Cc3ccc(cn3)[N+]([O-])=O	769
+Nc1ccc(Cl)c(-c2c(cncc2)F)c1	0
+Nc1ccc(Cl)c(-c2ncccc2)c1	0
+c1ccccc1CN2CCN(c3ccc([N+](=O)[O-])cn3)CC2=O	806
+Nc1cc(F)c(N2CC(N(CC2)CC)=O)cc1	0
+c1ccccc1COc2cc([N+]([O-])=O)ccc2NC(C)=O	22
+Nc1cc(c(cc1)O)F	0
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(=O)OC)s3	680
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ccc(CCN5CCCC5=O)cn4	680
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4cn(cn4)CCC	680
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4sccn4	680
+c1cc(ccc1F)-n2ncc3cc(ccc23)Oc4ncc([N+](=O)[O-])cc4	1708
+Nc1cc(c(cc1)C(=O)N)F	0
+O=Cc1ccc([N+]([O-])=O)cc1F	760
+c1([N+]([O-])=O)ccc(nc1)Oc2c3c(OCC(C3)C)ccc2	136
+c1cc(ccc1)-c2ccc(cn2)[N+](=O)[O-]	140
+c1cc(ccc1)C2CCc3c(ccc(Oc4ncc([N+](=O)[O-])cc4)c3)C2	136
+C1CN(CCN1Cc2ccccc2)c3ncc(cc3)[N+](=O)[O-]	43
+c1cc(ccc1Sc2ccc([N+](=O)[O-])cn2)CCC(=O)O	5018
+c1ccccc1C2CCc3c(O2)ccc(Oc4ncc([N+](=O)[O-])cc4)c3	136
+c1ccccc1CNc2ccc([N+](=O)[O-])cn2	70
+c1ccccc1Cc2c3ccccc3c(N4CCN(CC4)c5ccc([N+]([O-])=O)cn5)nn2	43
+n1c(OCC(OC)=O)ccc(N)c1	13
+n1c(Oc2c3c(OCC(C3)C)ccc2)ccc(N)c1	13
+Nc1cc2CN(C(c2cc1)=O)C	0
+Nc1cc2CC(N(c2cc1)C(CF)C)=O	0
+c1ccccc1N2C(=O)c3c(N=C2CCl)ccc([N+](=O)[O-])c3	2103
+C(NC)(=S)C1c2cc([N+]([O-])=O)ccc2OC(C)(C1O)COC	10481
+c1cc(ccc1C(C2C(N(c3c2cc(cc3)[N+](=O)[O-])C(C)=O)=O)=O)C	10482
+Nc1cc2c(Cl)nsc2cc1	0
+Nc1cc2c(cc1)nc(cc2C)Cl	0
+Nc1cc2c(cc1)[nH]c(c2)C(C)CO	0
+c1cc(ccc1)Sc2c(cc(cc2)Nc3c(C#N)cnc4c3cc(cc4)[N+](=O)[O-])Cl	179
+c1c(N)cc(C(O)CO)cc1	0
+c1(ccccc1Cl)-c2n3c4ccc(cc4nc(C)c3c(C)n2)OCc5cccc([N+]([O-])=O)c5	22
+O(Cc1cccc([N+]([O-])=O)c1)c2ccc(C(=O)C)c(c2)O	22
+c1cc(ccc1C(C)C)C(=O)c2cc(OCC#C)ccc2NCc3cc(ccc3)[N+](=O)[O-]	608
+c1c(N)cc(CCNC(C)=O)cc1	0
+c1cc(ccc1C(=O)c2n(C)c(cc2)Cc3cc(ccc3)[N+]([O-])=O)C	1873
+c1cc(ccc1F)NC(=O)c2c(Cl)cccc2[N+](=O)[O-]	67
+c1cc(ccc1C)-c2nc3cccc(c3nc2-c4ccc(cc4)C)[N+](=O)[O-]	3113
+c1(-c2c(Cl)cnn2C)cc(ccc1OC)NC(Nc3cc([N+]([O-])=O)ccc3)=O	124
+c1ccccc1Cc2c(nc3ccc(cc3c2)NC(Nc4cccc([N+](=O)[O-])c4)=O)Oc5c(C(=O)C)cc(cc5)F	124
+c1cc(ccc1COc2cccc([N+](=O)[O-])c2C(C)O)OC	139
+c1cnccc1CNC(N2CCCCC2COc3cccc(c3C#N)[N+](=O)[O-])=O	468
+c1c2c(CCCNCCOc3c(c([N+]([O-])=O)ccc3)N)c[nH]c2ccc1	284
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+c1cc(ccc1Oc2c(N)cccc2)OCc3cccc([N+](=O)[O-])c3	139
+c1(c([N+]([O-])=O)cccc1O)C#N	5
+c1(ccc(cc1OC)-n2nc(cc2)N)Br	161
+c1cc(ccc1F)-c2cc(CNc3c(cnc4cccnc34)[N+](=O)[O-])on2	2347
+c1c(Cl)nc(c(C)c1)C(=O)OC	174
+c1(nc(Cl)ccc1)COC(C)=O	174
+c1cc(ccc1Cn2c(CCC(=O)O)c(c3cc(F)ccc23)C)-n4cncc4	962
+c1cc(ccc1-c2cc([nH]c2)C(OC)=O)Cl	550
+c1cnccc1CN2c3nc(N)nc(Cl)c3C(=Cc4[nH]cc(C(=O)O)c4)C2=O	2709
+C(=CC(OCC)=O)c1cc(c[nH]1)CCCC	10483
+c1cc(ccc1C)S(=O)(=O)n2cnc(C=O)c2	10484
+C(Nc1cc(ccc1)F)(=O)Cc2cc(Nc3ncnc4cc(OC)cc(OC)c34)n[nH]2	349
+c1(cc(n[nH]1)[N+]([O-])=O)C(Nc2cccc(c2)F)=O	187
+c12c(C(=O)N(C1=O)C(C)(C)Cn3nc(-c4cc(c(C#N)cc4)C)cc3)cccc2	2426
+c1(ccc(Cl)c(c1)CNC(C)=O)-c2nn(-c3ccc4c(CCCO4)c3)cc2	568
+c1ccc(Oc2cc(OC(c3[nH]nnn3)C)ccc2)c(N)c1	0
+c1cc(ccc1)C(=O)N(Cc2c(-c3cc(CC(OCC)=O)ccc3OC)ccc(-c4cnc(OCC)cc4)c2)CC	115
+c1cc(ccc1)CNC(=O)N(CC)Cc2c(ccc(-c3cnc(OCC)cc3)c2)-c4cc(CC(OCC)=O)ccc4OC	384
+c1ccccc1CN2Cc3ccnc(Nc4cc(-c5cc6ccccc6cn5)c(C)cc4)c3CC2	1759
+c1(c(-c2ccc(s2)Cl)nn(c1)C(C)CC)-c3cc(Cl)ncc3	174
+c1(c(nc(c(-c2ccncn2)c1)-c3occc3)N)C#Cc4cccc(c4)F	1240
+c1ccccc1C#Cc2c(nc(-c3ccco3)c(-c4ncncc4)c2)N	1240
+c1c(c(Br)c(C)cc1N)CC(OC)=O	0
+c1cc(ccc1C#N)OCCCCOc2ccc(c(c2Br)O)C(C)=O	8
+c1(c(N)cc(c(c1Cl)F)Br)F	0
+c1(c(Br)cccc1N2N=C(C(=O)O)C(=O)C(=C2)OC)F	4
+c1(CO)c(Br)ccnc1	269
+c1cc(ccc1CCCn2ccnc2)OCc3coc(-c4cc(C)c(s4)Br)n3	547
+c1(c(CN)c(O)nc(CC)c1)C	388
+c1(c(CN)c(O)nc(CCC)c1)C	388
+c1(c(CN)c(OC)nc(CO)c1)C	388
+c12c(C(=O)N(C1=O)Cc3cc(C)c(C#N)c(n3)OC)cccc2	2181
+c1(c(C#N)c(OC)nc(CO)c1)C	194
+S(C)c1c(c(N)ccc1)C#N	0
+c1cc(ccc1CN2C(=O)C(=C(C=N2)C)C#N)OC	10485
+c12ccc(Nc3nc(Cl)cc(c3C(=O)OC)C#N)cc1n[nH]c2	201
+Cc1cc(ccc1)Nc2nc(Cl)cc(c2C(=O)OC)C#N	201
+S(c1cc(ccc1)Nc2nc(Cl)cc(c2C(=O)OC)C#N)C	201
+c1cc(ccc1Cl)C(=O)c2cccc(C#N)c2C	222
+c1cc(ccc1)COC(N2CC(C(CC)C2)Nc3c(C(N)=O)cnn4cc(nc34)Br)=O	10486
+c1(nnc(o1)C)-c2cc(Br)cnc2N	2145
+c1ccccc1CC(NC(c2c(cccc2N)[N+](=O)[O-])=O)C(OC)=O	259
+c1cc(ccc1F)CNC(c2c(O)c(c(nc2)C)Br)=O	56
+c1c(C)c(C(Nc2ncc(Br)nc2)=O)cnc1	10487
+c1ccc(NC(c2occc2C)=O)cc1C#C	768
+c1ccccc1CNC(c2c(C)cco2)=O	1619
+c1(C(=O)C)c(c2n(cccc2)n1)-c3cc(F)ncc3	955
+C(CC)CCCCCCc1c(c(ccc1)F)F	414
+c1(cn[nH]c1-c2nc3c([nH]2)cccc3)C(OCC)=O	567
+c1(c(CO)cnc(Cl)c1C)NC	351
+c1(c(N)c(Cl)ncc1C(OCC)=O)NC	13
+Cc1c(c(c(cc1)C)Oc2cnnc(O)c2)C	3149
+c1(c(c(N)ccc1C)C)Cl	0
+c1(c(C)cc(C)cc1OC)-c2n3nc(CC)c(N)c3c(OC)cc2	209
+C(O)c1c(Cl)cc(c([N+]([O-])=O)c1)C	49
+c12n3c(C(NC3=O)Cc4c(C)cc(OC)cc4)nc1cccc2	10488
+C(C(C)[N+]([O-])=O)c1cc(ccc1C)F	3150
+c1cc(ccc1)CNC(=O)c2cnc(Cl)cc2-c3c(cccc3)C	4056
+c1(c(C)cnc(c1C)CO)Cl	629
+c1(c(C)cnc(C(=O)O)c1C)Cl	6
+c1cc(ccc1OCc2ccccc2)N(C)C(c3c(C)n(cc3)C)=O	3758
+N#Cc1c(c2c(nc1)c(Cl)cc(c2)NCc3ncn(C)c3C)Nc4cc(Cl)c(cc4)F	10489
+c1(c(C2=NC(C(N(C)c3ccc(N)cc23)=O)C)cccc1)F	0
+Nc1ncc(c(C)c1)C=CC(N(Cc2n(c3c(cccc3)c2)C)C)=O	404
+c1cc(ccc1)COC(Nc2ccc3c(c[nH]c3c2)C(c4c(cccc4)F)C[N+]([O-])=O)=O	10490
+c1(c(C=O)[nH]c(C(=O)O)c1)C	6
+C(Cc1c(CO)cccc1)CCCCCCC	41
+C(c1c([nH]cc1C)C)C(=O)O	2603
+c1cc(ccc1)COC(=O)Nc2c3c(c(CC(OCC)=O)c(c2)[N+]([O-])=O)cccc3	90
+c1ccccc1COc2ccccc2CC	139
+Nc1c(F)c(ccc1O)CCCl	10491
+c1(O)c(CCO)cc(F)c(F)c1	5
+CC(C)n1ncc2c(cc(-c3ccncc3)nc12)C(NCc4c(O)nc(CC)cc4C)=O	14
+c1cc(ccc1)C(c2ccccc2)C3C(CCN(Cc4c(OC)c(cc(Br)c4)Br)C3)=O	889
+c1cc(ccc1F)C(c2ccc(cc2)F)C3C(CCN(Cc4c(OC)c(cc(Br)c4)Br)C3)=O	889
+c1(c(C=O)cnc(Cl)c1C)NC	200
+c1(c(Cl)nc(Br)cc1[N+](=O)[O-])NC	174
+C(=O)(c1ccccc1NC(c2cc(c(cc2)OC)Cl)=O)O	1
+c1(cc2c(NC(=O)CC(c3ccnc(-c4onc(c4)C)c3)=N2)cc1Cl)N(C)CCOC	1222
+C(OC(=O)C)C1C(C(OC(=O)C)C(n2c(Br)nc3cc(c(Cl)cc23)Cl)C1)O	59
+Nc1cccc(Cl)c1I	0
+c1ccccc1CC(Nc2c(c(O)ncc2)-c3nc4c(C)cc(cc4[nH]3)Br)CO	105
+c1c(c(Cl)cnc1Nc2n(nc(C)c2)CC)Nc3c(C(NC)=O)cccc3F	346
+c1(c(Cl)nc(Br)cc1N)NC	0
+c1cc(ccc1CCO)Nc2nc(C)cc(C)c2[N+]([O-])=O	201
+c1(c(Cl)nc(SC)nc1)C=O	1195
+c1(c(Cl)ncc(CO)c1)C	382
+c1cc(ccc1OC)COc2cc(c(nc2)Cl)C	1900
+c1(c(Cl)ncc(O)c1)C	2156
+c1(c(Cl)ncc(C(=O)O)c1)C	1
+c1(c(Cl)ncc(N)c1)C	13
+c1(cc(CN2Cc3c(Cl)nccc3C2=O)cnc1-n4nccc4)C	3047
+c1cc(ccc1-c2c(Cl)nccn2)Cl	696
+c1cc(ccc1Oc2nccnc2Cl)C(=O)c3[nH]c4c(n3)cccc4	842
+O=Cc1c(F)c(c(O)cc1)F	5
+c1cc(ccc1S(=O)(=O)OC(C)COc2c(F)c(F)ccc2[N+]([O-])=O)C	36
+c1(c(F)c(c(c(OC)c1)F)N2C(C3(CC3)c4cc(-c5c(N)cnn5CCOC)ncc4C2)=O)OC	209
+c1(c(F)c(c(c(OC)c1)F)N2Cc3cnc(CN)cc3C4(CC4)C2=O)OC	421
+c1c(c(c(cc1)F)F)C(c2c(cc(cc2)OC)OC)=O	705
+c1cc(ccc1OC)C(=O)c2cccc(F)c2F	705
+Nc1cnccc1Nc2cccc(c2F)F	13
+c1cc(ccc1Sc2c(c(ncn2)CC)F)Cl	1124
+c1(c2ccc(c(F)c2ccc1)O)C(=O)O	1
+CC(=O)Nc1cc(ccc1)Nc2c(cc(cc2)C(=O)O)[N+]([O-])=O	275
+c1ccccc1Nc2c([N+]([O-])=O)cc(C(=O)O)cc2	275
+c1cc(ccc1Br)NC(=O)c2ccc(F)c(c2)[N+](=O)[O-]	67
+c1cc(ccc1Oc2ccnc(-c3cc(C(OC)=O)sc3)c2)NC(Nc4cc(ccc4F)C)=O	124
+c1cc(ccc1S(=O)(=O)Nc2cc([N+]([O-])=O)c(cc2)F)NC(C)=O	69
+c1ccccc1C(Nc2ccc(F)c([N+]([O-])=O)c2)=O	50
+O=S(=O)(c1ccccc1)Nc2ccc(F)c(c2)[N+](=O)[O-]	69
+c1cc(ccc1Oc2ccccc2)NC(=O)Nc3ccc(c([N+]([O-])=O)c3)F	124
+c1(c(F)ccc([N+]([O-])=O)c1)-c2cc(CO)ccc2	49
+c1(c(F)ccc([N+]([O-])=O)c1)C(CC)(N)CCO	21
+n1ccn(-c2ccc(cc2[N+]([O-])=O)C3=C(C(NC3)=O)C)c1C	431
+c1ccccc1CN(Cc2ccccc2)C(C(=O)O)C(C3CC3)Oc4c([N+](=O)[O-])cc(cc4)F	57
+c1ccccc1Sc2ccc(F)cc2[N+](=O)[O-]	815
+c1cc(ccc1N(C(C)C)C(=O)CNc2c([N+](=O)[O-])cc(F)cc2)OC	2002
+c1ccccc1COC(NC2C(CN(c3ccc(F)cc3[N+]([O-])=O)CC2)F)=O	34
+c1cc2c(cccc2)nc1COc3cc([N+]([O-])=O)c(F)cc3	412
+c1cc(ccc1F)-n2c(C(N(OC)C)=O)cnc2SCc3c(F)c(ccc3F)F	10492
+c1cc(c(cc1)F)C(c2c(cccc2)F)Oc3c(C(=O)OC)cc(NC(Nc4ccc(c(OC)c4)OC)=O)cc3	124
+c1cnn(n1)-c2c(cccc2F)C(=O)O	10493
+c1(c(F)cccc1Cl)-c2nc3cc(ccc3o2)C(C)C(=O)O	4
+c1(Cl)c(F)nc(c(Cl)c1CO)F	41
+c1(c(ncc(c1)C(N=S(CCCCC(OC)=O)(C)=O)=O)N)C#Cc2cccc(NC(c3occc3C)=O)c2	2281
+c1cc(ccc1C(=O)Nc2c(ccc(c2N)Br)OC)C(C)C	67
+c1c(c(C)c(NC(c2c(ccc(c2)-c3cc(ccc3)F)F)=O)c(F)c1)O	67
+c1(cc(C)c(OC)c(c1)C(=O)Nc2c(c(ccc2F)O)C)-c3cc(F)ccc3	67
+CCOC(C1=CN(C2CC2F)c3c(C1=O)c(cc(F)c3C)[N+](=O)[O-])=O	480
+c1cc(ccc1-c2c(C(NC)=O)c3c(cc(N(C)S(=O)(=O)C)c(c3)C4CC(N(C4)C)C(Nc5c(F)cccc5O)=O)o2)F	33
+c1cc(ccc1COc2cccc([N+](=O)[O-])c2N)OC	139
+c1ccccc1COc2cccc([N+](=O)[O-])c2N	22
+Clc1c([N+]([O-])=O)cc(c(NC(c2ccc(c(Cl)c2)Cl)=O)c1)O	50
+c1(F)cccc(F)c1C(=O)NC(=O)Nc2c(F)c(c(F)c(Br)c2)Cl	2462
+c1ccccc1COC(=O)Nc2ccc([N+](=O)[O-])cc2O	90
+c1cc(ccc1N2CCOC2=O)-c3ccc(n3-c4c(C)cc(C(N)=O)cc4)CCC(OCC)=O	2387
+c1ccccc1C#Cc2ccc(c(c2)C)N	129
+c1(c(N)ccc(Oc2ccc(cc2C#N)F)c1)C	46
+n1c2ccc(nc2ccc1)-c3c(Cl)ccc([N+]([O-])=O)c3	10494
+c1c2c(ncc(c2Nc3cc(c(Cl)cc3Cl)OC)C#N)cc(I)c1OCCOC	10495
+c1cc(ccc1F)N2CCN(CC2)CCC(Nc3ccc(F)cc3[N+](=O)[O-])=O	3941
+Nc1c(C)c(c(cc1)C#N)F	106
+c1ccccc1S(=O)(=O)NC(c2ccc(NC(C)=O)c([N+](=O)[O-])c2)=O	258
+Nc1ccc(cc1[N+]([O-])=O)OCSC	106
+c1(c(NC2=C(C(CCC2)=O)C)cc(N)cc1)Cl	0
+c1cc(ccc1-n2c(C(=O)OCC)c(O)c(c2C(=O)OCC)OCc3ccccc3)OC	483
+c1c(Cl)cc([N+](=O)[O-])c(O)c1C(c2cc(Cl)cc([N+](=O)[O-])c2O)O	488
+OP(O)(=O)CC(C)=CCc1c(c2C(OCc2c(c1OC)C)=O)O	1560
+c1(ccccc1Cl)Oc2cc(c(C(C)=O)cc2)Cl	46
+c1(Oc2c(O)cccc2)c(ccc(F)c1)[N+]([O-])=O	46
+c1(C(=O)O)c(O)nc2c(ccnc2)c1	1
+C(Br)CCCCCc1cccc(O)c1OC	5
+c1(C(=O)O)ccc(OCCCCCCc2c(c(OC)ccc2)OC)cc1O	1
+c1cc(ccc1OCC(=O)N(Cc2cccc(OC)c2OC)CCCC)CC(OCC)C(OCC)=O	10
+C(CCc1c(OC)c2ccccc2c(c1)OC)CO	237
+c1c2ncnc(Sc3cccc(c3)N)c2cc(OC)c1OC	1124
+c1(c2cc(c(OC)cc2ncn1)OC)N3CCc4c(Br)cccc34	860
+C1CN(CCN1c2c3c(ncn2)cc(OC)c(c3)OC)c4ncc(cn4)O	54
+Nc1cc(cnc1OC)C(=O)OC	13
+O(c1ncc(C(=O)O)cc1[N+](=O)[O-])C	1
+CCCCCCOc1ccc(C=O)cc1OCCCCCC	2224
+c1ccccc1NC(=O)c2cc([N+](=O)[O-])c([N+]([O-])=O)cc2	50
+COc1c(cc(cc1)C(=O)c2ccc(c(c2)OCC)OC)[N+](=O)[O-]	335
+c1(N)cc(C)c(Cl)cc1NCCCC	0
+Nc1c(OC)cc(C(=O)OC)c(F)c1	0
+Nc1cc(c(C)cc1OC)O	0
+c1(c([N+]([O-])=O)cc(CN)cc1F)Cl	107
+C(N1C(c2c(C(=C1)C(=O)OC)cc(N)c(c2)OC)=O)C	0
+Nc1c(OC)cc2c(c(Nc3cc(Cl)c(F)cc3)c(C#N)cn2)c1	0
+c1c(c(cc(c1)Nc2c3cc(N)c(OC)cc3ncn2)Cl)OCc4ncccc4	0
+Nc1c(OC)cc2c(c1)c(ncn2)Nc3cccc(C#C)c3	0
+c1cc(N)c(CNc2ncnc3cc(NCC)c([N+]([O-])=O)cc23)cc1	40
+c1(c([N+]([O-])=O)cc2c(c1)ncnc2Nc3cccc(C#C)c3)OC	73
+c1(c([N+]([O-])=O)cc2c(c1)ncnc2Nc3cc(c(cc3)OCc4ncccc4)Cl)OC	73
+C1CCC(C1)c2ccccc2[N+](=O)[O-]	191
+c1cc(ccc1Oc2cc(ccc2)OCC=C)CNc3cccc([N+]([O-])=O)c3C=C	208
+c1(c(Cl)nc(cc1C)Cl)[N+]([O-])=O	174
+C(c1c(F)c(cc([N+]([O-])=O)c1)N2CCCC2=O)(=O)OC	2795
+c1(c(N)c(cc2nsnc12)C(=O)O)Cl	1
+CC(O)c1c(O)c(ccc1)Sc2c(F)cccc2	74
+C1CC(CCN1Cc2ccccc2)Nc3c([N+](=O)[O-])cccc3C	205
+O=Cc1c(c(c(C)cc1)I)F	39
+Clc1c(Cl)c(c(c(Cl)c1Cl)N)N	0
+Cc1nn(-c2c(cccc2F)C#N)cc1C=O	926
+C(O)c1c(F)ccc(I)c1C	98
+c1(c(C(=O)O)c(N)cc(Br)c1Cl)F	1
+c1(c(c(OC)c2CC(Cc2c1OC)(CCCCCCCCO)C(OCC)=O)OC)OC	21
+c1(c(c(OC)c2CC(Cc2c1OC)(CCCCCCCC(O)=O)C(OCC)=O)OC)OC	3
+C1c2c(CC1(C(O)=O)CCCCCCCCO)c(OC)c(OC)c(OC)c2OC	3
+c1(c(C)c(c(cc1)C(C)=O)C)O	5
+c1(OC)ccc(C(NCCn2cc(C(=O)OC)nn2)=O)c(c1OC)OC	14
+c1(c(c(F)ccc1Nc2n(-c3ncccc3)nc(C)c2)F)C(=O)OC	781
+c1(c(c(c(OC)c(CCN)c1C)C)C)OC	157
+c1cc(ccc1C=C(C)COc2c(c(C)c(NC=O)c(C)c2)C)C	1282
+c1(F)c(C(=O)O)c(cc(c1)Br)O	1
+c12c(cc(c(Br)c1F)F)[nH]cc2	1452
+c1ccccc1CSc2cccc(c2C)-c3cccnc3	607
+c1c(c(c(cc1)OC)F)CO	49
+c1cc(c(c(N)c1OC)[N+]([O-])=O)OC	0
+c12ccccc1c(N)c(N)c(Cl)n2	13
+c1ccccc1COc2c(C#N)c(ncc2)Br	2467
+c12OCC(C)N3c1c(C(C(=C3)C(=O)N)=O)c(N)c(c2F)F	0
+Nc1c(c2[nH]cnc2c(C)c1)C	0
+Nc1ccc2c(C(OC(OCC)=N2)=O)c1CC	0
+NCc1c(nc(C)c(C(C)=C)c1)C	18
+c1(c(cc(I)c(C)c1)C(=O)O)CC	1
+c1(c(cc(C)cc1)Nc2cc(O)ncc2C(=O)O)Cl	1
+c1cc(ccc1)CN2CCN(C(Cc3ccc(c(c3)Cl)Cl)=O)C4C(N5CCCC5)CCCC24	58
+c1cc(ccc1)C(Cc2ccc(Cl)c(Cl)c2)=O	832
+c1c(CO)c(Cl)cc(Cl)c1OC	49
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+c1(c(cc(c(C(=O)N2Cc3cccn3Cc4c2cccc4)c1)OC)-c5ccccc5OCC)Cl	610
+C(CCC#Cc1cc(c(-n2nc(C)nc2)cc1)OC)C(c3cc(c(cc3)Cl)Cl)O	3151
+O(C)c1c(O)c(c(cc1[N+](=O)[O-])C=O)Cl	173
+c1cc(ccc1)Nc2c(c(c(cc2C(=O)OC)[N+](=O)[O-])N)Cl	275
+c1ccc2c(c1)C(=O)N(C2=O)C3CC(CC3)c4c(F)cc(Br)c(F)c4	1579
+c1(c(-c2ccncn2)ccc(N)n1)-c3occc3	1220
+c1(c(cc(cc1)-c2scc(CC)n2)CCC)OCCCOc3ccc4n(CC(O)=O)ccc4c3	4
+c1c(ccc(C(OC)=O)n1)C(=O)NCc2ccc(c(Cl)c2)Cl	1281
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+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)N4Cc5ncc(Br)cc5C4	10496
+n1cc(c(CCC(OC)=O)cc1OC)F	159
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+Nc1cnn(c1)CCN2c3cc(c(OC)cc3CC2)OC	209
+n1c2c(cc([N+]([O-])=O)c(O)c2)ccc1	5
+c1(c(cc2c(c1)nc(Br)n2C3CC(CO)C(C3O)O)Cl)Cl	59
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+c1cc(cc(CCCCCC)c1OC)C(=O)O	374
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+O=C1c2c(C(=O)N1CC3C(C)CCCN3C(c4cc(C)ccc4-c5cnn(c5)C)=O)cccc2	30
+c1ccccc1COc2ccc(C)c(C(=O)OC)c2F	22
+c1(CO)c(ccc(Cl)c1Cl)[N+]([O-])=O	41
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+c1cc(ccc1CNC(c2ccc(Cl)nc2N)=O)OCc3ccccc3	56
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+c1(cc(OC)n(-c2c(cccc2)F)n1)C(=O)NC(c3ccccc3C)CC(=O)OCC	1938
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+C(NC)c1ccccc1I	162
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+c1ccccc1-c2cc(C(c3c(Cl)cccc3)=O)ccc2O	222
+o1c(nc2cc(c(cc12)-c3cnc(cc3)NC(c4c(cccc4)Cl)=O)C)C	330
+c1cc(ccc1)-c2nc(C(OCC)=O)c(O)c3c(nsc23)-c4c(cccc4)F	10497
+c1(cccc([N+]([O-])=O)c1)C(=O)c2ccc(OC)c(c2)OC	222
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+C(c1cnccc1)NC(c2c(Cl)c(Br)ccc2)=O	14
+c1c(CO)c(c(cc1)O)Cl	49
+O=Cc1cccc(C#N)c1Cl	2196
+c1ccccc1COc2cccc(F)c2F	22
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+c1cc(ccc1C#N)Oc2cccc(c2C(C)CC)OC	46
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+Clc1cc(cc(Cl)c1N=Cc2cnccc2N=[N+]=[N-])F	3026
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+c1(I)c(nn(C)c1CO)C	453
+c1(-c2c(cccc2)F)c(cc3NC(Nc3n1)=O)-c4c(cncc4)F	3100
+c12cc(c(-c3occc3)nc1[nH]c(-c4cc(F)ccc4)c2)-c5ccncn5	3152
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+c1(C(=O)O)cnc(c(c1)C#Cc2cccc(NC(c3occc3C)=O)c2)N	1
+c1(cc(C(=O)OC)cnc1N)OCc2c(F)cccc2	161
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+C(c1ncccc1C)NCc2ncccc2C	294
+CCc1c(cccn1)CO	351
+c1(c(nccc1-c2cc(Cl)c(cc2)C(=O)O)CC)C#Cc3cnc(cc3)N	1
+C1CN(CCN1CC(=O)Nc2sc(c(-c3occc3)n2)C(c4ncccc4)=O)c5ncccn5	224
+C1Cc2cc(OC)ccc2Sc3cccc(c13)C(=O)O	165
+c1ccc(c2CCCC(O)c12)C#N	74
+c1c(F)c(c(cc1OCC)F)Cn2nc(c3c2CCC3)C#N	309
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4ccnc(c4)Cl	174
+c1(c2OC(C)C(=O)Nc2cc(c1)C=O)O	5
+Nc1cccc2c1OC(C)C2	0
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+c1cccc(c1O)-c2nc(c3c(c(nn3C)CCC)n2)O	1691
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+c1ccccc1COc2c(cc(Br)c3cccnc23)Cl	483
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+C(c1cccs1)CNC(c2c3c(n(CCOC)c2)cccc3Cl)=O	56
+c1cc(ccc1Cn2c(CCCC)nc3c2nccc3C)-n4cc(c(Cl)c4C#N)Cl	1484
+c1(cc2c(cc1OC)c(C)c(N)cn2)OC	13
+c1(C=CCOC)c2cc(Br)ccn2cn1	10498
+c1ccccc1S(=O)(=O)n2c3ncc(cc3c(C(=O)OC)c2C)Br	276
+O=S(=O)(c1ccccc1)n2c3c(c(C4=CCN(C)CC4)c2)cc(C#N)cc3	367
+c1(c2cc(C#N)ccc2[nH]c1)C=3CCN(C)CC=3	274
+c1(C=O)nc(c2cc(ccc2n1)OC)NCc3ccc4OCOc4c3	2287
+C1CN(CCC1Nc2c3c(c(nn2)COC)ccc(OC)c3)Cc4ccccc4	232
+c1(n(c2c(ccc(OC)c2)c1C(=O)NCc3cc(F)c(cc3)F)Cc4ncccc4)C=O	2714
+c1(cc2c(Oc3ccc4c(cccc4c3F)C(O)=O)ccnc2cc1OC)OC	242
+c1cc(ccc1)Oc2c(CNc3ccc4c(nnc(Cl)c4c3)O)c(ccc2)Cl	250
+c1(c(NCc2cc(on2)-c3cccnc3)c4ccccc4nc1)N	13
+c1cc(ccc1C(=O)c2c(C)c(c3ccccn23)OC)[N+](=O)[O-]	4351
+O=S(=O)(c1ccc(cc1)-n2c3c(cccn3)c(C(OC)=O)c2)C	10499
+c1(cccc2OCCc12)C(=O)O	10500
+O=Cc1c2ncccn2nc1	10501
+c1c(cccc1-n2c(ncc2)C)Nc3ccn4c(c(cn4)C=O)n3	3042
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+c12c(c(N)c(C(=O)c3c(C)cc(F)cc3)cc1)nccc2	13
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+c1ccccc1Cn2cc(Cc3ccc(C(=O)OC)cc3OC)c4cc(NC(CCCCC)=O)ccc24	190
+c1cc(ccc1CNc2ccc(-c3c(N)nc(N)nc3CC)cc2C)S(=O)(=O)C	208
+c1cnccc1CCNCc2cc(ccc2)-c3nc(Cl)ncc3	42
+c1(C(=O)O)cc(-c2ccnn2C)c(C)s1	1
+c1(C(=O)O)cc(-c2ccnn2C)c(Cl)s1	1
+c1cc(ccc1S(=O)(=O)n2cc(I)c3cc(-c4cc(C=O)ccc4)cnc23)C	276
+c1(C(=O)O)cc(-c2n(C)ncc2F)c(Cl)s1	1
+c1(nc2ccccc2c(c1)[N+]([O-])=O)Br	2298
+c1c(N)c(NC)cc(c1Br)C#N	0
+c1cc(ccc1COc2c(Br)cc(C=O)cc2)OC	22
+c1ccccc1COc2c(O)ncc(Br)c2	483
+c1(C#N)cc(C#N)c(O)cc1	5
+c1c(Br)c(ccc1)NC(Nc2c(cc(C#N)cc2)O)=S	773
+C(c1cc(C#N)ccc1O)CC	732
+Nc1c(cc(C#N)cc1)OC	0
+c1(cc(C(=O)N2Cc3cccn3Cc4c2cccc4)c(cc1-c5ccccc5F)OC)Cl	610
+c1(cc(ccc1)C(=O)N)Br	10503
+c1ccccc1COc2c(ccc(C(O)=O)c2)I	22
+c1(cc(-c2cc(F)ccc2)cc(F)c1C)C(=O)O	1
+c1cc(ccc1C(O)=O)-c2ccc(N3CCCC3=O)cc2C(OC)=O	11
+c1(cc(CO)c(cc1Br)Cl)F	98
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+c1(cc(C(=O)OC)c(cc1Br)O)F	5
+c1(F)c(cc(c(C=O)c1)[N+]([O-])=O)Br	1766
+c1c(CN=[N+]=[N-])cc(CF)cc1CO	98
+c1(cc(CO)cc2c1OCO2)OC	98
+c1cc(ccc1-c2cccc(C(CCCCCC)O)c2)C=O	11
+c1(cc(ccc1Br)C=2CCCN=2)F	1529
+c1cc(ccc1)CN2CCC(OC(=O)c3cc(c(cc3)[N+]([O-])=O)OC)C2	279
+c1(cc(C(CCN)O)ccc1)Br	51
+c1(cc(ccc1)C(=O)c2c(Cl)nc(Cl)nc2)Br	10504
+c1(cc(C)c(OC)c(c1)CNc2c(c(ccc2F)O)C)-c3cc(F)ccc3	162
+c1(cc(C)c(OC)c(c1)CNc2c(c(ccc2F)O)F)-c3cc(F)ccc3	162
+C(Cc1cc(C)cc(c1)CBr)O	21
+c1(CO)ccc(C)cc1OC(CC=C)C	98
+c1cnccc1-c2cc(CC#N)cc(CO)c2	2036
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+c1cc(ccc1)OC(c2nccc3C(=O)N(Cc4cnc(c(c4)C)-n5nccc5)Cc23)=O	4710
+c1(-c2ncccc2)[nH]cc(C=O)c1	200
+c1cc(ccc1)[Si](c2ccccc2)(OCc3cccc(C=O)c3)C(C)(C)C	328
+c1(cc(CO)c(cc1Br)O)F	88
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+Clc1cc(C(=O)C)c(cc1Br)O	5
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+c1(cc(c(cc1)C(c2ccc(cc2F)C)=C(c3nnnn3C)C=CC=O)F)C	5019
+c1(c2ccc(OC)cc2n(Cc3ncccc3)c1C(OC)=O)C(=O)NCc4cc(F)c(cc4)F	56
+c1cc(ccc1CN2C(=O)N(c3nn(Cc4ccc(cc4)OC)c(C(=O)NCc5ccc(F)c(F)c5)c3)C=N2)F	81
+c1ccccc1CN(Cc2ccccc2)C(C(NCc3cc(c(cc3)F)F)=O)COC(F)F	9
+c1(Cl)cc(C(=O)OC)c(nc1Cl)-c2cc(F)ccc2	174
+c1ccccc1Oc2cc(Br)ccc2	46
+c1c2c(ccc1)C(=O)N(C2=O)C(C=3N=C4N(C(=O)C=3c5cc(F)ccc5)C(C)=CC=C4)C	10505
+O=CC=1N=C2N(C(=CC=C2)C)C(=O)C=1c3cc(F)ccc3	10506
+c1c2c(ccc(c2Oc3c(cc(F)cc3)F)OC)nc(O)c1	2900
+c1cc(ccc1F)CC#Cc2cccc(-c3nnn(n3)CCCN4CC(C(O)=O)CCC4)c2	121
+c1(cc(I)ccc1)-c2nnn(n2)CCCN3CCCC(C(=O)O)C3	3
+c1cc(ccc1C(=N)Nc2cc(C)c(C)cc2)S(=O)(=O)C	3121
+c1cn[nH]c1C(Nc2cccc(c2)F)=O	10507
+c1(N2CCOCC2C)nc(Cl)nc(CO)c1	629
+c1(c(ccc(N)c1)OC)C(=O)C	106
+c1(cc(N)ccc1[N+]([O-])=O)OC	106
+c1c(cc2c(C(=O)C(=O)N2)c1)Br	1418
+c1cc(ccc1C)S(=O)(=O)Oc2c3c(CCN(C(=O)Nc4cc(CC)ccc4)C3)nc(-c5ccc6c(OCO6)c5)n2	4603
+c1(cc(Nc2c3cc(N)ccc3ncc2C#N)ccc1)Br	0
+c1(cc(c(N)c(c1)F)OC)C(=O)O	0
+c1c(cc(C(=O)OC)c(Nc2c(cc(c(F)c2)-c3cc(C)c(Cl)cc3)OC)c1)Br	1215
+c1(cc(OC)n(-c2c(cccc2)F)n1)C(=O)NC(CC(O)=O)c3ccccc3C	3
+c1(C(=O)O)cc(OCCCBr)no1	1
+c1(cc(Oc2c(F)cc(C(=O)O)cc2)cc(OC(C)CO)c1)C(=O)Nc3ccn(C)n3	6
+c1ccccc1CCNC(CSc2nc(nc(C)c2)N)=O	271
+c1ccccc1COc2c([N+]([O-])=O)cc(cc2)C=O	139
+c1(c([N+](=O)[O-])cc(cc1)C(O)c2cc(OCC)c(cc2)OC)OC	257
+c1c([N+]([O-])=O)c(ccc1C=CC(OC)=O)OC	530
+Nc1c(c(C(=O)OC)cc([N+]([O-])=O)c1)F	0
+c1ccccc1COc2c(I)ccc([N+](=O)[O-])c2	22
+c1ccccc1C=CC(=O)c2c(O)cc(c(Br)c2)F	307
+c1(cc(c(CNC(c2cn(nc2OCC)CCOc3c(cccc3OCC)CC(=O)O)=O)cc1)Cl)Cl	4
+Fc1cc(cc(F)c1)C(O)c2ccc(F)c(C#N)c2	257
+c1(C)cc2c(NC(O2)=O)cc1OC	3096
+Nc1cc(O)c(cc1[N+]([O-])=O)C(=O)O	106
+c1cc(ccc1OC)CN2N=C(C=C(Br)C2=O)C(=O)OC	10508
+c1(F)cc(c(cc1C)C(NCc2c(cc(cc2)Br)F)=O)OC	14
+c1(cc(c(N)cc1OC)O)C	0
+c1(cc(C)c(c(c1)CNc2c(c(ccc2F)O)F)C)-c3cc(F)ccc3	162
+c1cc(ccc1F)COC(N(Cc2c(-c3cc(ccc3OC)CC(OC)=O)cc(cc2)OC)CC)=O	66
+c1(cc(c(cc1)Cl)-c2n(-c3nc(-n4cc(C)nc4-c5c(Cl)ccc(Cl)c5)c(N)cc3)cc(C)n2)Cl	13
+c1c(Cl)c(Cc2cc3c(OCCO3)cc2)cc(c1)I	394
+c1(C=O)cc(Oc2cccc(C#N)c2)c(cc1)OC	754
+c1ccccc1COc2c(OC)ccc(C=O)c2	139
+O=S(=O)(Oc1c(OC)ccc(C=O)c1)c2ccc(cc2)C	1163
+c1cc(ccc1)C(=O)Oc2cc(ccc2OC)C=O	1039
+c1ccccc1COc2c(OC)ccc(C=O)c2	22
+c1(C=O)cc(c(cc1)OC)OCc2nc(-c3occc3)oc2C	547
+COc1cc(cc(OC)c1)C(C=Cc2ccc(c(c2)O)OCCCC)=O	307
+O(c1c(cc(Cl)cc1)C(CC)=O)c2c3cc(c(OC)cc3ncc2)OC	155
+c1(cc(c(cc1Br)CC(=O)O)C)F	4
+c1c(c(cc(F)c1Br)O)N	0
+c1(c(cc(c(c1)F)Br)F)C2CCC(C2)O	100
+c1c(c(cc(F)c1N)C)Br	0
+c1(cc(Br)co1)C(=O)OC	10509
+Nc1c2c(CO)cc(C)nc2sc1C(=O)N	217
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3ccc(cc3)-c4cc(cc(Br)c4)C#N	11
+c1(cc(cc(Br)c1)C#N)Br	480
+c1c(Br)c(c(cc1CC(C(=O)O)O)Br)Oc2cc(c(c(c2)C=Cc3ccccc3)O)C(C)C	4
+Nc1cc(cc(C(=O)OC)c1C)Br	0
+c1(C)cccc(C)c1-c2cnc(c(-c3cc(C)cc(c3)C)n2)-c4cc(C)cc(C)c4	696
+c1c(C)cc(cc1CN2c3cc(ccc3OCC2)C=O)C	507
+c1(cc(cc(C)c1-c2cc(COc3ccc(cc3)CCC(=O)OC)ccc2)OC4CCCCO4)C	20
+c1c(C)c(c(cc1O)C)-c2cc(COc3ccc(cc3)CCC(=O)OC)ccc2	805
+c1(cc(cc(C)c1-c2cc(COc3ccc(cc3)CCC(=O)O)ccc2)OCCOCC)C	4
+c1c(C)c(c(cc1OCCOCC)C)-c2cc(CO)ccc2	41
+c1(C)cc(cc(C)c1-c2cccc(CO)c2C)OCOC	98
+c1c(C)c(c(cc1C)C)-c2cccc3c(Cl)cc(nc23)C	1009
+c1(cc(cc(C)c1Br)OC(c2ccc(cc2)C(=O)OC)C(C)C)C	20
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(C(C)C)c3ccc(cc3)C(OC)=O	11
+Cc1cc(cc(C)c1C(C)=O)Oc2ccc3OCOc3c2	415
+c1cc(ccc1)Oc2cc(C)c(c(c2)C)C(C)=O	415
+c1cc(ccc1Oc2cc(C)c(c(C)c2)C(C)=O)F	415
+c1(cc(cc(C)c1N=C2N(C(N(C(c3cc(O)c(cc3)O)=C2)C)=O)C)C)C	5
+c1(cc(cc(C)c1N=C2N(C)C(N(C)C(=C2)c3ccc(c(c3)OC)OCC(=O)O)=O)C)C	3
+c1ccccc1-c2nc(c(cn2)CNc3cc(C)c(c(c3)C)NC(OCCC)=O)C	10510
+c1c(C)c(c(cc1[N+](=O)[O-])C)N	106
+Cc1cc(cc(C)c1Nc2nc3c(c(N)cc(C)c3)s2)C	10511
+c1cc(ccc1)Cn2ccc3nc(Cl)nc(Oc4c(C)cc(cc4C)C(C)=O)c23	1438
+c1c(C)c(c(cc1-c2[nH]c3c(c2C)cccc3)C)OC	1150
+Cc1cc(cc(C)c1OCCCC)C=COC	1417
+c1(cc(cc(C)c1OCOCCOC)C=CC=CC(=O)O)C	108
+Cc1cc(cc(C)c1S(=O)(=O)N)N	106
+c1cc(ccc1Nc2nc(C)c([N+]([O-])=O)c(Sc3c(cc(cc3C)Br)C)n2)C#N	55
+c1(cc(cc(C)c1N)COCC)C	0
+Clc1cc(cc(Cl)c1)C(C)(C)C(N(C)c2cnc(Cl)cc2-c3ccccc3Cl)=O	2052
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3cc4c(cc3Cl)C(C(=O)O)CCO4)Cl	3
+c1(Cl)cc(cc(Cl)c1)COc2cc(C(=O)NCc3c(cc(cc3)C#N)O)cc(c2)Cl	14
+c1c(Cl)cc(cc1N=Cc2cc(ccc2O)Br)Cl	457
+c1c(Cl)cc(cc1Nc2nc(nc(NC)n2)Nc3ccc(cc3)O)Cl	360
+c1cc(ccc1N2C(c3c(c(ccc3)C)C2=O)=O)CC(C(OCC)=O)NC(=O)c4c(cc(cc4Cl)-c5[nH]nnn5)Cl	259
+Clc1cc(cc(Cl)c1CCC(NOC)C)Cl	3813
+Clc1cc(cc(Cl)c1CCCNOC)Cl	2498
+Clc1cc(cc(Cl)c1-n2cc3cncc(c3n2)Cl)C#N	3027
+c1c(Cl)c(c(cc1[N+]([O-])=O)Cl)-n2cc3cncc(c3n2)F	3027
+c1(Cl)cc(cc(Cl)c1NCC(OCC)=O)CCNC(C(c2ccc(cc2)O)O)C	132
+c1(cc(cc(Cl)c1OCCCC(c2ccc(cc2)F)=C)OCC=C(Cl)Cl)Cl	1707
+c1c(Cl)c(c(cc1N)Cl)Oc2cc(c(cc2)O)C(NCCCCCCCCC)=O	0
+C1CN(CCC1C(c2cc(F)cc(c2)F)CCOC(C)C)S(=O)(=O)C	21
+c1(F)cc(cc(F)c1)C(CC(OC(C)C)=O)C2CCNCC2	62
+c1c(F)cc(cc1C)F	10512
+c1(F)cc(cc(F)c1)COc2cncc(C#N)c2	483
+c1c(c2C(CCCc2cc1F)=O)F	214
+c1(cc(cc(F)c1)CCCC(=O)O)F	10513
+c1(F)cc(cc(F)c1)Nc2ncccc2C(O)=O	1
+Fc1cc(cc(F)c1Br)OCCC2C(C3CCN(CC3)c4ncc(cn4)OCC)C2	20
+c1c(F)c(c(cc1F)F)CCc2cc(c(Cl)cc2)NNC(OC)=O	1702
+c1(cc(cc(F)c1C(C(=O)O)OC)OCC)F	3
+c1c(F)c(c(cc1OC)F)C#N	274
+c1c(F)c(c(cc1C=CC(=O)O)F)C2N(C(C)(C)Cc3c4ccccc4[nH]c23)CC(CF)C	127
+c1(F)cc(cc(F)c1C=CC(OCC)=O)N	530
+Fc1cc(cc(F)c1C2C(Nc3c(C2=O)ccnn3)=O)F	10514
+c1nc(ncc1COC)N2CCC(CC2)C3C(CCOc4cc(F)c(c(c4)F)CC(=O)OC)C3	20
+c1(cc(cc(F)c1F)C2c3nc(Nc4cc(OC)c(cc4)-n5cnc(Cl)n5)nc(NC)c3CC2)F	55
+c1(cc(cc(F)c1F)CCC2CCC(CC2)C=O)F	1143
+c1(cc(cc(F)c1F)CCC2CCC(CC2)=COC)F	2553
+c1(cc(cc(F)c1O)COCC(=O)OCC)F	16
+c1cc(ccc1-c2oc3cc(N(c4cc(F)c(c(F)c4)N)S(=O)(=O)C)c(C5CC5)cc3c2C(NC)=O)F	0
+c1(cc(cc(I)c1O)C(c2c3c(oc2CCC(=O)O)cccc3)=O)I	3
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(Br)c2)O	8
+COc1cc(cc(OC)c1Br)CO	49
+c1c(OC)c(c(cc1-c2nccc(CO)c2)OC)Cl	49
+c1(cc(cc(OC)c1Cl)-c2nccc(C(O)=O)c2)OC	6
+c1c(OC)c(c(cc1-c2nc(CO)cs2)OC)OC	1171
+c1cc(ccc1C(=Cc2cc(OC)c(c(OC)c2)OC)C(NCc3ccc(cc3)C(=O)OCC)=O)F	711
+c1c(OC)c(c(cc1CCCO)OC)OC	95
+O(c1cc(cc(OC)c1N)Br)C	0
+c1(cc(cc(OCC)c1-c2ccc(cc2)F)CO)OCC	217
+C1CN(CCC1NC(=O)c2cc(OC(C)(C)C(=O)O)ccc2)Cc3cc(OCC)c(c(OCC)c3)F	3
+O=S(=O)(c1cc([N+]([O-])=O)cc(N)c1)NC	0
+c1(F)cc(cc(F)c1)Oc2ccc(cc2)OC	46
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)Oc3cc(Br)cc(c3)Nc4cnccc4	1505
+c1c(c(O)c(cc1F)[N+]([O-])=O)-c2cc(C(=O)O)ccc2	5
+c1cc(ccc1)C(c2ccccc2)CCN3CC(CC3)NC(Nc4cc(nc(c4)C)CC)=O	282
+c1(nc(O)cc(OCc2ccc(cc2F)F)c1)C	139
+c1cc(ccc1)Oc2cc3nc(-c4ncccc4)nn3c(N)c2	10515
+c1(C=O)cc2c(C(=O)OC)nn(-c3cccc(c3)Br)c2cc1	39
+c1cc(cc(c1)C(c2cccc(c2)Br)=O)Br	335
+c1(cc(ccc1)C#N)-c2ccc(C(=O)O)cn2	1
+COc1ccc2C(N(c3cccc(C#N)c3)C=Cc2c1)=O	2333
+c1cc(ccc1)COc2cccc(c2)C3CC(=O)N(c4cccc(C#N)c4)C3	654
+c1cc(ccc1)-c2cc(C(=O)OC)ccc2	11
+c1cc(ccc1C=O)-c2cccc(C(OCC)=O)c2	11
+c1(ccc(NC(c2cc(ccc2)Br)=O)cc1-c3ccnn3C)OCCOC	50
+c1c(cccc1Br)C(=O)N2Cc3cccn3Cc4c2cccc4	448
+C(C(c1cc(ccc1)Br)=O)C(CC=C)O	155
+C(c1cc(C=O)ccc1)C(=O)O	4
+c1cc(ccc1CNCc2cccc(CC(=O)OCC)c2)C	42
+c1ccc(CO)cc1CCCCOC	41
+c1(cc(ccc1)F)-c2cc(F)c(c(CNc3c(F)ccc(O)c3F)c2)C	162
+c1c(cc2[nH]c(c(Sc3cc(ccc3)C(=O)OC)c2c1)C)Br	1502
+c1(cc(ccc1)Nc2c3cc(c(N)cc3ncn2)[N+]([O-])=O)Br	106
+c1(cc(ccc1)Nc2c3cc(N)ccc3ncn2)Br	0
+Nc1c(N)cc2c(ncnc2c1)Nc3cccc(Br)c3	0
+c1cc(ccc1COc2cc(C=O)ccc2)Cl	139
+c1cc(ccc1OCC)COc2cc(C=O)ccc2	20
+COc1cccc(-c2nc(ccc2CC(OC)=O)Cl)c1	174
+c1(cc(ccc1)OC)-c2nc3n(ccc(c3)NC(c4n(C)ncc4C(=O)O)=O)n2	6
+c1(cc(ccc1Br)C2CO2)F	5020
+c1ccccc1COC(=O)N2CCCC2c3ccc(c(c3)F)Br	66
+c1(cc(ccc1Br)C2NCCC2)F	1218
+c1(cc(ccc1C=CC(=O)O)F)OC(CC)C	127
+c1cc(ccc1)CN2C(C(Cc3ccc(F)c(c3)C)OCC2)=O	10516
+c1(N)c(Nc2c(c(C(=O)OC)ccc2)C)ccc(F)c1	0
+c1(I)cc(c(cc1)NCc2cc(c(OCc3ccc(nc3)OC)cc2)OC)N	0
+c1(cc(C#N)ccc1[N+]([O-])=O)OC	274
+c1cc(ccc1)CN(C)Cc2ccc([N+](=O)[O-])c(c2)OC	131
+C(c1cc(OC)c(cc1)[N+]([O-])=O)C(=O)O	3
+c1cc(ccc1C)S(=O)(=O)Nc2c(C(OC)=O)cc(Oc3ccc(c(c3)NCCCC)[N+]([O-])=O)cc2	46
+c1(cc(c(N)cc1)OC)NCCCCCC	0
+Nc1c(cc(cc1)OCCO)OC	0
+O(C(C)=O)CCOc1cc(c(N)cc1)OC	0
+c1ccccc1-c2cncc(c2)C(=O)O	89
+c1ccc(cc1C#Cc2cncc(C(=O)O)c2)NC(=O)c3c(cco3)C	1240
+O=S(c1cc(ccc1)C(=O)OC)(C)=NC(c2cc(cnc2)Br)=O	10517
+c1ccccc1S(=NC(=O)c2cncc(Br)c2)(C)=O	3144
+c1(cc(N)n[nH]1)C(Nc2cccc(c2)F)=O	161
+c1cc(ccc1C)S(=O)(=O)n2cc(CN3CCCC4(CCN(CC4)c5nc(OC)cc(n5)C)C3=O)c6ccccc26	117
+c1(cc(nc(SCc2ccc(N)cc2Cl)n1)O)C	0
+c1(cc(nc(SCc2cccc(N)c2Cl)n1)O)C	0
+c1(Cl)cncc(Cl)c1CSc2nc(N)cc(C)n2	2667
+c1cc(ccc1-c2c(C#N)cccc2)CN3C(=NC(=CC3=O)C)SCC	10518
+n1c(c(cc(NN)n1)OCC)OCC	10519
+c1(F)c(cc2c(c(ccc2)O)c1)Br	10520
+c1(C(=O)O)cc2CCSc2s1	1
+c1(cc2NC(=O)COc2cc1)N3CC(CC3=O)CO	1262
+c1(cc2c(cc1Br)CCC(=S)N2)F	199
+c1(cc2OCCc2cc1)C(CC(=O)O)NC(CCC3CCc4c(C3)nc5c(CCCN5)c4)=O	3
+c1cc(ccc1)OC(n2c-3c(c(n2)Nc4cccc(F)c4)Cc5c-3cc(OC)c(OC)c5)=O	3266
+C1CC2N(c3c(cc(CO)cn3)NC2=O)CC1	88
+c1cc(ccc1CN2C(CCCC)=Nc3ccc(-c4nn(CCCC=C)nn4)cc3C2=O)-c5c(C#N)cccc5	10521
+c1(cccc(c1)Nc2nc(c(cn2)F)Nc3cc4c(OCCO4)cc3)N	55
+c1ccccc1COC(N2CC(C(NCc3cc4OCCOc4cn3)CC2)O)=O	294
+c1cc(ccc1)COCc2nc3ccc(cc3c(NCc4ccc5OCOc5c4)n2)OC	40
+c1ccccc1C(O)c2cc3ccnc(Cl)c3[nH]2	5021
+c1cc(ccc1OC)CN2C=Cc3cc(c(Br)cc3C2=O)F	5022
+c1cc(cc2c1N(C(=O)N(C2=O)CC)CC)C(O)=O	1
+C1CN2CCC1C(C2)OC(Nc3cc(ccc3-c4ccccc4)C=CCN5C(=O)Oc6c5ccc(C=O)c6)=O	858
+C(CCSc1[nH]c2cc(C(OCC)=O)ccc2n1)CSc3c(c(O)c(cc3)C(=O)C)CCC	2465
+Nc1c2cc(ccc2ccc1)C(=O)N	0
+c1(cc2n[nH]cc2cc1Br)F	2363
+c1(sc(C(=O)O)c(n1)-c2ccc(Cl)c(Cl)c2)-n3cnc4cc(c(cc34)OC)OC	1
+C(=O)c1cc2c(ccc(-c3ccccc3C)c2)nc1Cl	200
+c1(cc2c(ccc(N)c2)nc1O)C(=O)O	0
+c1(cc2c3c(ccc2cc1)ccc(c3)O)Br	5
+o1c2cccc(c2cc1CO)Br	4333
+Nc1c2c(ccc1)cnc(c2)COC	0
+C1CC1COCCc2ccc(cc2)OCC(CNCCn3c4ccc(-c5ccc(nn5)O)cc4nc3)O	122
+c1(cc2c(n(CCN)cn2)cc1)-c3nnc(O)cc3	524
+c1(cc(OC)c(cc1)C#N)NCc2cc3cc(Cl)c(cc3nc2O)OCc4cnccc4	10522
+c1cc(ccc1OC)Nc2nc(Cl)nc3c2cc(-c4ccco4)cc3	73
+O=C(NC1c2c(cccn2)C(N=[N+]=[N-])C(c3c(c(ccc3)F)F)CC1)c4cnc5c(c4)CC6(c7cccnc7NC6=O)C5	56
+Nc1cc(cc2c1nccc2)OC	13
+c1ccccc1OC(Nc2c(Cl)cc(cc2)Oc3ccnc4cc(OCCOC)c(C(=O)OC)cc34)=O	90
+c1c2c(nccc2Oc3ccc(c(Cl)c3)NC(=O)NC)cc(OC)c1C(=O)O	1
+C(=O)(C)c1oc2cc(ccc2c1)C(=O)OC	3153
+c1(C(=O)O)cc2c(s1)nc(Cl)cn2	1
+c1(cc2c(scc2)cc1Br)F	1539
+c1(cc2c(sc(C(=O)O)c2)cc1Br)F	1
+c1(cc2c3c(cc(cc3C(=O)N(CCCC(O)=O)C2=O)C(O)=O)c1)N	0
+c1(cc2ccc(cc2cc1)OC)C(C)CN	15
+c1cc2cc(ccc2cc1O)C3(NC(=O)OC3)C	5
+c1(cc2c(c(c1)CO)cccc2)Br	88
+C12C=C(CC(CC1)N2CCNc3cc(OC)cc4cccnc34)c5cc6c(cccc6)cc5	10523
+c1(cc2c(c(nn2c(OCc3c(F)c(ccc3F)F)c1)C)C(O)=O)C	6
+c1(cc2nc(C(NC(C)Cn3ccc(-c4cc(Cl)c(c(c4)F)C#N)n3)=O)cn2c(C)n1)C	312
+c1(cc2nc(C(=O)O)cn2c(C)n1)C	6
+COc1cc2c(cc1CC=O)nccc2	1292
+n1ccc(c(OC)c1CO)OC	813
+COc1cc(c(F)cc1)-c2ccc(CO)nc2Cl	398
+c1ccccc1OCCOc2ccc(Br)nc2C(OC)=O	1286
+c1cc(ccc1Cc2nc3nc(ccc3o2)Br)F	10524
+C(C(CCc1ccc(F)c(F)c1F)O)CCC	213
+Nc1cc(ccc1CC)C(=O)C	0
+O=C(c1ccc(c(Cl)c1)Cl)NC2c3c(CCC2O)ccc([N+]([O-])=O)c3	93
+c1(C(=O)OC)ccc(c(N)c1)NC2C(CCCC2)C	0
+c1(ccc(cc1O)C(C)C(=O)O)[N+]([O-])=O	3
+OCCC(c1ccc(c(Cl)c1)Cl)N	21
+c1ccccc1COc2c(ccc(C(=O)NCC)c2)[N+]([O-])=O	22
+C1CCCc2c(C(c3cccs3)=O)ccc(OCC(O)=O)c12	4
+c1(C)ccc(CO)nc1Cl	398
+Fc1c(C)ccc(c1)CN2CCC(C2=O)N3CC(C(c4cc(c(OC)cc4)F)CC3)F	2150
+c1ccccc1COc2ccc(cc2)C3CCN(CC3(F)F)C4C(N(Cc5cc(c(C)cc5)F)CC4)=O	2150
+Nc1c(N)c(c(C)cc1)C	0
+c1(ccc(C)cn1)-c2cc(cc(c2)-c3occn3)C(=O)O	1
+c1cc(ccc1)COc2c(cc(N)nc2CCCCCCCCCCOCOC)C	899
+c1(ccc(C)n1-c2ccc(C(CNCC3Oc4c(CC3)cc(I)cc4)O)cn2)C	15
+C1CC1c2c(-c3nc(N)ccc3)ccc(c2)O	899
+COc1c(cc(CC)c(c1)O)-c2cccc(n2)N	899
+Cc1ccc(C)n1-c2nc(CCC(n3c(ccc3C)C)C)cc(C)c2	3008
+c1ccccc1Oc2ccc3c(nc(o3)-c4ccc(C=O)cc4F)c2	1328
+c1(OCOC)c(cc(cc1)C=C)OCOC	4749
+C1CC(CCC1)N(C(Nc2c(cc(CC(OCC)=O)cc2)Cl)=O)c3n(-c4ccc(cc4)Cl)nc5ccccc35	1587
+c1cc(O)cc(-c2ncnc3c(Cl)cccc23)c1Cl	5
+Nc1ccc(Cl)c(C(=O)O)c1Cl	0
+c1(ccc(c(N)c1F)Cl)C(=O)O	106
+Nc1c(nc(cc1)Cl)C(=O)N	13
+Fc1cc(cc(F)c1-c2nc(C(OC)=O)ccc2F)OC	119
+c1cc(ccc1F)CNc2c(F)c(N)c(cc2)[N+](=O)[O-]	60
+c1cc(ccc1F)C(C(=O)Nc2cc(F)ccc2C(N)=O)Br	33
+c1ccccc1COc2cc(I)ccc2[N+](=O)[O-]	22
+CCOC(=O)C(c1ccc2NC(=O)Nc2c1)C	2280
+c1cc(ccc1)COc2cc(ccc2)Nc3ncc(cn3)Nc4ccc(c(c4)Cl)Cl	10525
+c1cc(ccc1NC(=O)C2C(CC(C2)=C)NC(c3c(F)cc(cc3)N4C(C=CC=C4)=O)=O)Cl	14
+c1(ccc(N2CC(CO)CCC2)cc1C(Nc3c(C)c(C(=O)O)ccc3C)=O)C	1
+c1(ccc(N)cc1-c2ccnn2C)OCCOC	106
+CC(=O)Nc1cc(c(cc1)C(=O)C)O	5
+c1(ccc(Nc2c(N)cccc2)cc1F)C(OCC)=O	0
+c1ccccc1NC(c2c(ccc(Br)c2C)O)=O	67
+c1cc(cc(F)c1CSc2ccc(OC)c(Cl)c2Cl)F	1128
+N(Cc1ncccc1)Cc2cccc3c2nc(o3)-c4cc(OC)ccc4O	241
+c1(ccc(OC)cc1OC)-c2cc(C(=O)O)ccc2	1
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccc(-c4cc(C(=O)O)c(C)o4)cn3)=O)c2	1
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccccc3-c4sc(CC(O)=O)cc4)=O)c2	4
+c1(c(C(=O)O)nc(OC)cc1)O	1
+C1CC(CC(C1)N)c2ccc(OCOC)cc2OCOC	733
+c1(ccc(N)cc1-c2nc(O)c3c(n2)c(CCC)ccn3)OCC	0
+c1ccccc1-c2c(cc([N+]([O-])=O)cc2)OC	11
+c1ccccc1C(=O)Oc2c(c(C)c(cc2)C)-c3c(C)c(C)ccc3O	1039
+O=C1N(C(=Nc2ccc([N+]([O-])=O)cc12)CF)c3ccc(cc3C)C	2796
+c1(OC)c(c(c(Cc2c(Cl)ccc(c2)Br)cc1)F)F	394
+c1cc(ccc1)COc2c(c(c([N+](=O)[O-])cc2)F)F	57
+c1cc(ccc1)C(=O)NCC(CCOC2CCCCO2)c3ccc(c(Cl)c3)Cl	10526
+c1ccccc1COC(=O)c2cc(Br)c(C#N)cc2	470
+c1(ccc(cc1Br)C(=O)O)C#N	1
+c1c2c([nH]cc2CC(C(N)=O)Nc3ccc(c(c3)Br)C#N)ccc1	2002
+c1(C(Nc2cc(ccn2)-c3c(nc4cccnn34)-c5cc(c(cc5)F)C)=O)ccnc(C)c1	1372
+C(O)c1ccc(cc1F)CBr	49
+C(Cc1ccc(-c2ccc(cc2F)F)c(c1)F)(=O)O	3
+c1cc(ccc1F)Sc2c(ccc(F)c2)C(=O)O	826
+CC(C(=O)O)c1cc(c(N)cc1)O	0
+c1ccccc1COc2cc(ccc2[N+]([O-])=O)C=O	22
+c1ccccc1COC(=O)c2ccc(c(OC)c2)Br	470
+c1c(ccc2ccccc12)C(O)c3c(ccc(Br)c3OC)F	1641
+c1(ccc(cc1OCCc2cc(C)ccc2)C(=O)O)Br	1
+Nc1cc(-c2ccc(cc2C)C(=O)OC)ccc1CC	0
+c1(ccc(C)cc1N)Sc2cc(ccc2)NC(C)=O	0
+c1(ccc(C)cc1N)Sc2cc(ccc2)O	0
+C(OC)C1CCC(C(OC)=O)CN1	10527
+c1(ccc(nc1C(=O)O)C)-n2nccc2	1
+n1c(c(ccc1NC(c2c(cccc2)F)=O)Br)N	330
+c1ccccc1-c2c(nc(cc2)OC)N	89
+c1ccccc1CN2N=C(c3ccccc3C2=O)Cc4c(C)[nH]c5c4cc(Cl)cc5	10528
+c1cc(ccc1NC=C2C(Nc3cc(-c4cccc(OC)c4)ccc23)=O)OCCCN(CC)CC	1300
+c1c(C(=O)O)nc2NC(=O)CSc2c1	1
+Clc1ccc2c(nc([nH]2)-c3c-4c(ccc3)C(c5c-4cccc5)N)c1	4334
+c1cc(N)c(cc1)CSc2[nH]c3cc(ccc3n2)C	3089
+c1c(OC)c2c(c(c1)Br)ccc(n2)C(=O)O	1
+c1(ccc2c(n(CCN)cc2)c1)N3C(c4cc(OC)ccc4C3)=O	51
+c1c(nc2c(c1)scc2Br)C(=O)O	1
+c1(ncccc1OCCN(CC)CCNC(=O)c2ccc3c(n2)c(I)cnc3)F	780
+c12c(cccc1)C(=O)N(C2=O)CCN(C)Cc3nc4c(cc3)cccc4	315
+c1c(nc2oc(C3C(C)C3)cc2c1)C(=O)O	1
+OCc1ccc2cc(cc(Br)c2n1)F	194
+c1ccccc1CC(=O)c2c(-c3ccc4c(c3)ccc(c4Br)OCC#N)sc5ccccc25	1487
+Nc1ccc2n3c(cc2c1C(=O)OC)CCC3	0
+c1cc(ccc1OCc2ccc3nc(Br)nn3c2)C(CC(=O)OCC)C#CC	751
+c1cc(ccc1OCc2c3cccnc3ccc2[N+]([O-])=O)NC(=O)C	22
+c1ccccc1COC(=O)c2[nH]ccc2	470
+C(CC)N(CCC)CCCCN(Cc1ccc[nH]1)Cc2ccc(cc2)C#N	315
+c1ccccc1-c2nc(Cn3cc(C(=O)OCC)cn3)sc2	562
+c1ccccc1-c2cccc(c2F)C#N	11
+c1cc(ccc1Nc2nc(-c3cccc(n3)Br)nc4ccccc24)Cl	10529
+c1c(Br)nc(C(Nc2cn(C)nc2C(=O)N)=O)cc1	2491
+c1(cccc(C(=O)O)c1)N2C(=O)c3c(nc(SC)nc3)N4C(CCC4)C2	6
+c1(cccc(C=2OC(NN=2)=O)c1)N3C(=O)c4c(nc(SC)nc4)N5C(CCC5)C3	10530
+c1c(cccc1C2=Nc3cccc(Cl)c3C(=O)O2)F	4269
+c1(C)cccc(C)c1-c2cccc(CO)c2	41
+c1c(C)c(c(cc1)C)-c2nc3ccc(cc3[nH]2)C=O	39
+c1(C)cccc(C)c1-c2ccc3c(c2)c(ncn3)O	11
+Cc1cccc(C)c1-c2ccc3n4c(nc5ccccc45)c6c(nc(C)cc6)c3c2	667
+c1c(C)c(c(cc1)C)-c2ncnc(-c3ccccc3)c2	198
+Cc1cccc(C)c1-c2nc3c(CN(Cc4ccccc4)CC3)c(OC)n2	345
+c1c(C)c(c(cc1)C)-c2cnc(cn2)N	356
+c1(C)cccc(C)c1CNc2c3[nH]c(cc3nc(Cl)c2)C	10531
+c1(cccc(C)c1CNc2c(c(nc(Cl)c2)C#CC)N)C	13
+c1(CN2c3c(cccc3)CCCC2=O)cc(ccc1)Br	1126
+C1OCC1(c2ccc(cc2)OCc3cccc(Br)c3)CC(=O)OCC	22
+c1cc(ccc1OCc2cccc(n2)C(OC)=O)I	951
+c1ccccc1COc2cc(ccc2)-c3cccc(CCC(O)=O)c3	11
+c1cc2c(cccc2)nc1COc3ccc(NCc4cc(ccc4)Br)c([N+]([O-])=O)c3	60
+c1cc(ccc1C)C(CN(C)Cc2cccc(c2)Br)=O	676
+c1c(Cl)c(c(cc1)Cl)-c2ccc3cc(CC(NC(c4c(Cl)cccc4Cl)=O)C(=O)OC)ccc3n2	946
+Clc1cccc(Cl)c1-n2c(c(C(C)C)cn2)CO	629
+c1c(Cl)c(c(cc1)Cl)C(CO)Cc2c(cc(Cl)cc2)Cl	95
+c1c(Cl)c(c(cc1)Cl)C(=O)c2cc3c(C(C#N)=C3)cc2O	5
+c1(cccc(Cl)c1CCOCCN2CCC(CC2)=O)Cl	86
+c1cc(ccc1OCc2c(onc2Cc3c(Cl)cccc3Cl)C(C)C)-c4ccc5c(c4)cccc5C(OCC)=O	20
+c1cc(cc2ccnn12)OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3	28
+c1(cccc(-c2nc3c([nH]2)cccc3)c1[N+](=O)[O-])Cl	1127
+c1c(NC(=O)c2cccc(n2)Cl)c3c(cc1-c4c5c([nH]cc5)ccc4)[nH]nc3	187
+c1ccccc1CNC2=CC(=O)N(Cc3cccc(F)c3)C=C2	10532
+c12CCN(C(=O)c1ccc(OCc3cccc(F)c3)n2)c4ccc(cn4)F	2334
+c1c(F)c(c(cc1)F)C(Nc2ncc(cc2)-c3cc4OCCc4cc3Br)=O	330
+c1c(F)c(c(cc1)F)Cc2c(c(ccc2)OC)N(S(=O)(=O)c3cc(c(cc3)OC)OC)CC(O)=O	3
+c1(cccc(F)c1NC(=O)c2ccc(Cc3cc(Cl)ccc3O)o2)F	173
+c1(cccc(F)c1Oc2ccc(cc2)N)F	0
+c1c(CO)c(F)c(I)cc1	49
+c1(cc(ccc1)Nc2c3cc([N+]([O-])=O)c(NC(C)=O)cc3ncn2)Br	2212
+c1(cc(ccc1)Nc2c3c(cc(nc3)N)ncn2)Br	10533
+c1cc(ccc1)Oc2cccc(Nc3cc(Nc4cc(ccc4)N)ncn3)c2	73
+c1ccccc1CNc2cc(ccc2)N3C(NCC3)=O	208
+N1(C(=Nc2cccc(CO)n2)SC(Br)=C1)COC	398
+c1c(Nc2ncnc(c2)Cl)nc(cc1)NC	349
+c1c(ccc(C(O)c2cccc(OC)c2)c1F)F	257
+c1cc(ccc1)P(c2ccccc2)(c3cccc(c3)OC)=O	10534
+c1cc(ccc1)-c2ccccc2-c3cccc(OC)c3	11
+c1(cccc(OCC(=O)O)c1)Br	4
+c1c(cccc1Br)OCC(O)CN2CCc3ccccc3C2	170
+c1c(c(OCC(O)c2cc(OCc3cc(c(cc3)Cl)Cl)ccc2)cc(c1)C#N)F	74
+Nc1cccc([N+]([O-])=O)c1O	0
+c1cc(ccn1)C=Cc2cc([N+]([O-])=O)ccc2	722
+Nc1c(c(ccc1)C(=O)O)F	0
+c1(c(F)c(N)ccc1)C(c2c[nH]c3c2cncn3)=O	0
+c1(cccc(-c2nc(N)[nH]c2)c1)Br	10535
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(c(n4)-c6cc(ccc6)Br)cnc(Cl)n5	10536
+c1(-c2nc3c(c(n2)O)cc(c(OC)c3)O)cc([N+]([O-])=O)ccc1	5
+c1(cccc(C(=O)O)c1)Nc2nc(ccn2)-c3ccnc(c3)Cl	6
+C(c1nnc2N(CCCCC)c3[nH]cnc3C(=O)n12)c4cc(ccc4)Br	10537
+c1ccccc1-c2cccc(CC(=O)OC)c2	11
+CN1C(=O)C=C(CCc2ccccc2Br)NC1=N	10538
+O=Cc1c(ccc(c1)Br)OCCOc2cc(Br)ccc2	8
+c1cc(ccc1-c2cccc(c2)O)-n3c4c(c5ccccc35)cccc4	11
+c1ccccc1COc2cc(Br)ccc2	22
+c1cnccc1CC(c2cccc(OC)c2)(c3cccc(OC)c3)O	10539
+c1c(OCCCCCCc2cccc(c2CCC(OCC)=O)OCCCC(=O)OCC)cc(cc1Br)C(C)=O	8
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(Br)c2)CO	8
+c1ccccc1COc2c(Cc3c(OC)c(c(c(c3C)OC)OC)OC)cccc2C=O	22
+O(c1c(OCC=C)c(ccc1)C(=O)C)CC=C	155
+CN(C)C(=O)c1ccc(cc1)-c2cnc(c(C(NNC(c3nc(N)ccc3)=O)=O)n2)N	10540
+c12c(CC(OCC)=O)coc1c(ccc2)OC	10541
+c1c(CO)c2c(ccc(OC)c2)cc1	49
+c1(OCCCCCCCCCl)cccc2ccccc12	450
+c1(ccccc1-c2[nH]nc(NC(N)=S)c2)Br	10542
+Nc1nc2c(s1)c(-c3ccccc3Br)[nH]n2	10543
+n1c(oc(C)c1COc2cc(c(CC(C(=O)OC)OCC)cc2)CC)-c3c(cccc3)F	547
+c1c(c(ccc1)-c2c3c(ccc(C#N)c3)n[nH]2)OC	804
+c1(ccccc1-c2noc(c2C(O)=O)C)OC	6
+c12c(c(N)c(C(NCCCC)=O)nn1)cccc2Br	10544
+C=1(OC(=O)c2c(cccc2)N=1)CC	2665
+c1cc(ccc1CCCCC)C(NNC(=O)c2c(cccc2)SCC)=O	1601
+c1cc(ccn1)C=Cc2ccc3c(ccc(n3)NCc4c(OC)cccc4)c2	722
+c1(ccccc1COc2cc(c3c(nc(C)[nH]3)c2)C)C(OC)=O	2712
+c1(ccccc1Cl)-c2cc(O)cc3N(c4c(ccc(C(=O)OC)c4)C)C(=O)CCc23	5
+c1(ccccc1Cl)-c2n3c4ccc(cc4nc(C)c3c(C)n2)O	5
+c1(ccccc1Cl)-c2n3c4ccc(cc4nc(C)c3c(C)n2)OCc5cccc(c5)N	0
+c1cc(ccc1)-c2cc(nnc2Cl)Nc3ccnc(NCCc4c(Cl)cccc4)n3	306
+O=S(=O)(c1ccccc1)C(C#N)=Cc2ccnc(-c3ncn(Cc4c(cccc4)Cl)c3)c2	2593
+c1(ccccc1Cl)Oc2cc(C(C)C(O)=O)c(OC)cc2	3
+c1(ccccc1Cl)Oc2cc(c(C(C)N)cc2)Cl	840
+c1(ccccc1Cl)Oc2cc(C(C(=O)OCC)C)c(OC)cc2	3253
+c1(ccccc1Cl)Oc2ccc(c(CO)c2)OC	41
+NCC(=O)c1ccccc1OC	10545
+c1ccccc1C(C(C(OCC)=O)=CNc2ccccc2OC)=O	10546
+c1(ccccc1Oc2cc(CC)ccc2O)C	5
+C(NNC(=O)c1cc(C#N)ccc1)(=O)c2cccnc2	4739
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(NC(c5cccnc5)=O)nc6sc(cc46)CC)=O	4769
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CCNC(=O)c3cccnc3	2896
+c1nc(ncc1)Cn2c(Br)cc(n2)NC(c3cnccc3)=O	2370
+c1(CNc2cc(ccc2)-n3cnc4c3ccc(C(=O)NCc5cnccc5)c4)cccnc1	2116
+n1c(-c2cnccc2)n(c3cc(c(Br)cc13)C#N)C	3766
+C1CC(CCN1Cc2cnccc2)n3nnc4c(N5CCOCC5)nc(nc34)-c6ccc(cc6)NC(=O)NCCN(C)C	565
+c1(cccnc1Br)CO	269
+c1ccccc1CCCC(O)c2cccnc2Br	1430
+c1cnc(C2CCCC(c3c(cccn3)C)N2CCCCn4ccnc4)c(c1)C	28
+c1cnccc1C=Cc2cncc(C=Cc3cc(Nc4ncccc4[N+]([O-])=O)ccc3)c2	1807
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(O)nccc3	328
+c1(cccnc1OCC(C)F)Nc2c3c(c(C(=O)O)sc3ncn2)C	1
+c1cc(c(SCc2c3ccccc3ncc2)nc1)C(=O)O	3465
+c1cnccc1CSc2ncccc2C(=O)O	10547
+c1(cccnc1N)OC(C)c2c(Cl)ccc(F)c2Cl	161
+c1(nc(nc(C)c1C(NC(CNC(c2cccs2)=O)C(OC)=O)=O)NCCCc3cccc4c3cn[nH]4)C	227
+c1(nc(nc(C)c1C(NC(CNC(c2cccs2)=O)C(OC)=O)=O)NCCCc3cc(O)ccc3)C	227
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCC(Nc4cc(c(C=COC)cc4Cl)OC)=O)=O)O	1417
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCC(Nc4c(Cl)cc(c(OC)c4)C=O)=O)=O)O	39
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCC(=O)Nc4c(Cl)cc(CC=O)c(OC)c4)=O)O	1292
+C1CC(CCC1N(CCCN2C(Nc3cc(ccc23)C=O)=O)C)OC(C(c4cccs4)(c5cccs5)O)=O	28
+C(CNCc1ccc(nc1)Oc2ccc(cc2Br)C(=O)N)c3cccs3	249
+c1cc(OCCc2cccs2)cc(C)c1OCC(OCC)=O	126
+c1ccccc1OC(=O)Nc2cc(OCc3sccc3)c(C#N)cn2	278
+c1(ccn2C=C(NC(c12)=O)CO)C	10548
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C(N(OC)C)=O)ccn3	10549
+C(c1ccnc(-n2ccnc2)c1)(=O)O	10550
+c1cc(ccc1F)-c2coc(C3CCCN(C3)C(=O)c4ccnc(F)c4)n2	30
+Sc1nccc(SC)c1C	4455
+c1cc(ccc1)CN2CCC(CC2)(c3c(ccnc3)CO)O	1239
+Clc1c(ccnc1)CNc2ccc(cn2)C(=O)OC	811
+O=S(=O)(c1ccccc1)n2c3ccc(cc3c4c2CCN(C4=O)c5cnccc5C)F	10551
+c1cc(ccc1N2CCN(c3c(ccnc3)C)C2=O)F	2626
+c1(ccncc1N2CCNC2=O)C	3461
+c1cc(ccc1C(Nc2c(CNC(=O)c3oncc3)cc(F)c(Nc4[nH]nc(c4)C5CC5)n2)C)F	10552
+c1cc(ccc1-c2c(C)ccc(NC(c3cocc3)=O)c2)C(OC)=O	10553
+c1ccccc1-c2c(C(C)C)nc(N3CC(N(C(=O)c4ccoc4C)CC3)C)c(c2)C#N	1859
+c1cc(ccc1F)CNC(=O)c2sccc2C	227
+c1ccccc1CNC(=O)c2sccc2C	227
+c1cc(ccc1-c2cc3c(c(n2)O)ccs3)OC	10554
+c1(cnc(C(CCCCC#Cc2c(cccc2)Cl)=O)o1)-c3ncccc3	121
+O=Cc1cnc(cc1Cl)Cl	1639
+c1c(I)cc(c(Nc2c(cnc(Cl)c2)C(=O)OCC)c1)F	179
+c1ccccc1Nc2cc(Cl)ncc2C(=O)OCC	179
+c1cc(ccc1)Oc2cc(ncc2C(OCC)=O)Cl	242
+c1cc(ccc1OC)CNc2c(C(OCC)=O)cnc(Cl)c2	105
+C(C)OC(c1cnc2ccc(cc2c1)OC)=O	4272
+c1c(Cl)c(c(cn1)Cl)CO	41
+c1cc(ccc1S(=O)(=O)Nc2cncc(-c3sc(cc3)-c4cc5c(cc4)C(N(C)C5)=O)c2)F	322
+c1(cnccc1)-n2cc(c3ccccc23)CCC(=O)O	3
+c1(cnccc1)-n2cc(c3ccccc23)CCC=O	578
+c1(cnccc1)-n2cc(c3ccccc23)CCCO	237
+[N+](=O)(c1c(NCCOCCCc2cccnc2)c3ccccc3n4c1nnn4)[O-]	2048
+c1cnc(C(=O)Nc2cc(c(-c3cccnc3)nc2N)-c4c(cncc4)F)cn1	1285
+c1(cnccc1-c2cc3NC(Nc3nc2-c4cccnc4)=O)F	3100
+c1(c(nc(N)c(c1)N)-c2c(cccc2)F)-c3c(cncc3)F	13
+c1(cnccc1-c2c(-c3cccnc3)nc(N)c(c2)N)F	13
+c1(cnccc1NC(c2cnc3c(Nc4nc(ccc4)Br)cc(Cl)nn23)=O)F	3599
+c1(nc(cs1)-c2cc(Br)c(c(Br)c2O)O)C(O)=O	6
+C(O)c1c(c(sc1)C)C	4267
+c1(n(C)nc(CC)c1Cl)CO	194
+C(c1c(n(CCO)nc1C)C)C(=O)NCc2ccc(cc2Cl)F	647
+c1(n(CCCC(=O)O)nnn1)C	4
+c1(n(c2cc(cc(C)c2n1)C(=O)O)Cc3ccc4c(CCc5c(C4=CC#N)cccc5)c3)CCC	1
+c1c(F)cc(cc1CC(NC(=O)Cn2c3COCc3c(C(OC)=O)n2)c4c(-c5cc(c(cc5)F)C(N)=O)cccn4)F	1114
+O(C)c1c(N)cc(Br)nc1C(=O)O	1
+c1c(cnc(c1)NC(c2nc(cc(C#N)c2)CC)=O)F	10555
+c1cc(ccc1)COc2c(C)nc(Br)c(c2C)C	1900
+C(CC=C)CC(c1n2c(c(n1)C)C(NC(=N2)Cc3ccc(c(OC)c3)OC)=O)C(C)O	100
+c1(nc(CNc2nc(nc(Cl)c2NC=O)N)ccc1)N3CCCC3=O	40
+OCc1nc(Cl)ccc1	59
+c1(nc(N)nc(C)n1)-c2cccnc2Nc3cccc(c3)O	3147
+c1cc(ccc1)OC(Nc2nc(CN(C)C(c3nccnc3C)=O)cs2)=O	810
+c1ccccc1NC(=O)c2cccc(N3Cc4c(CC3)nc(SC)nc4)n2	187
+c1(nc(N2CCc3c(C2)cnc(SC)n3)ccc1)C(=O)O	1
+c1cc(ccc1)COc2c(c(cc(C)n2)O)C(=O)OCC	1424
+c1cc(ccc1)OC(C)c2ccc(C(NCc3c(cc(nc3O)C)C)=O)nn2	81
+c1cc(ccc1C(NCc2c(nc(C)cc2C)O)=O)C(C)OCC	14
+c1cc(ccc1C(C)CCO)C(NCc2c(nc(C)cc2C)O)=O	14
+c1ccccc1C(n2c(C)c(C(NCc3c(O)nc(cc3C)C)=O)c4c2cccc4)C	56
+c1ccccc1C(n2c3nc(Cl)ncc3c(c2C)C(=O)NCc4c(cc(nc4O)C)C)C	56
+c1cc(ccc1)C(=O)NC(=S)Nc2cc(Br)cc(C(OC)=O)n2	1780
+c1(nc(cc(c1)COC)Br)C	49
+c1(nc(cc(CO)c1)Br)C	88
+c1c(nc(c(C)c1)CO)C#N	59
+n1c(C)c(c(nc1NCCCc2cc(O)ccc2)C)C(=O)NC(C(O)=O)CNC(=O)c3sccc3	4
+n1c(C)c(c(nc1NCCCc2cccc3c2cn[nH]3)C)C(=O)NC(C(O)=O)CNC(=O)c4sccc4	4
+c1cc(cc(F)c1Oc2cc3c[nH]nc3cc2)Nc4nc(N)nc(c4)Cl	73
+C(C)OC(c1csc2cc(Oc3nc(N)nc(Cl)c3)ccc12)=O	185
+c12cc(Oc3nc(N)nc(Cl)c3)ccc1[nH]cc2	185
+c1ccccc1-c2nc([nH]c2)C3OCCN(c4nc(nc(Cl)c4)N)C3	54
+c1ccccc1Nc2cc(nc(N)n2)Cl	73
+c1cc(ccc1Nc2nc(N)nc(c2)Cl)C	73
+c1cc(ccc1CO)Nc2nc(N)nc(c2)Cl	73
+c1cc(ccc1Oc2cc(C)ncc2)Nc3nc(N)nc(c3)Cl	73
+c1ccccc1CNc2cc(nc(n2)N)Cl	40
+c1cc(ccc1NC(=O)C)S(=O)(=O)Nc2cc(Cl)nc(n2)NCC	570
+Nc1nc(nc(N)c1N)-n2nc(c3c2cc(cn3)F)Cc4ccccc4F	193
+c1(nc(nc(OC)c1)NC(=O)NS(=O)(=O)c2c(C(OC)=O)ccc(CCNC(=O)OC)c2)OC	10556
+c1(nc(nc(OC)c1)NC(NS(=O)(=O)c2c(cccc2)C(O)=O)=O)OC	1
+c1(nc(nc(c1)C=O)OC)C	2714
+c1cc(ccc1OC)Cn2cnc3c(nc(N)nc23)Cl	5023
+c1ccc2c([nH]c(C(NC(=S)N)C)n2)c1	2806
+c1(nc2c(c(C)c1)C(N(C(=O)N2C)CCCCC(O)C)=O)C	59
+c1cc(ccc1)C2CN(CC2)c3c4c(ccc(c4)N5CCCC5=O)nc(C)c3	264
+c1cc2c(cccc2)nc1COc3cc(CO)ccc3	412
+c1cc(ccc1OCc2ccc3ccccc3n2)CC(=O)OCC	412
+c1cc(ccc1OCc2ccc3ccccc3n2)CO	412
+c1cc(ccc1OCc2nc3c(cc2)cccc3)OCCC#N	412
+c1cc(ccn1)C#Cc2ccc(cc2)OCc3nc4c(cc3)cccc4	412
+c1(nc2c(cn1)cccc2)COc3cc(N)ccc3	0
+O=C(O)c1oc2ccc(cc2c1)Oc3nc4c(s3)cccc4	1
+c1(nc2c(nc(Cl)c(C#N)c2)n1C)C	1453
+c1(nc2cc(c(Cl)c(NC(=S)COC)c2nc1OC)Cl)OC	199
+c1(nc2ccc(N)cc2cn1)N	0
+c1(Cl)c(c(c2ccccc2n1)NCC#C)N	13
+c1cc(ccc1F)-c2cc(on2)CNc3c([N+]([O-])=O)c(Cl)nc4ccccc34	2347
+c1cc(ccc1[N+]([O-])=O)N(c2c3c(nc(C)n2)cccc3)C	860
+O=Cc1ncc(C)cc1C	178
+n1cc(Cl)nc(Cl)c1C(=O)C	4404
+n1c(ncc(c1CCc2ccccc2C(C(=O)N)C)Cl)Cl	801
+Nc1cc(Cc2cnccc2)cnc1NCCCc3ncc(cc3C)Br	13
+CC(C)(c1cc(n(-c2ccc(cc2)C)n1)NC(=O)Nc3c(Cl)c(Cl)c(cc3)Oc4ccnc(n4)Cl)C#C	446
+c1cc(ccc1Oc2ncccc2-c3nc(N)ncc3)N	136
+c1cc(-c2ccccn2)c(OC)cc1-c3nc4n(cccc4)c3	440
+C1C(=Cc2ccccc2OC1)C(Nc3ncccc3)=O	10557
+c1cc(ccc1O)Nc2ccccn2	781
+c1cc(ccc1-c2ccc3n(c(cn3)C#Cc4cc(ncc4)Nc5ncccc5)n2)C(N6CCOCC6)=O	346
+c1cc(ccc1CO)CNc2ccccn2	811
+c1cc(ccc1-c2nc3ccccn3c2)F	440
+c1cc(ccc1OC(Nc2ccccn2)=O)[N+]([O-])=O	278
+c1cc(ccc1)COc2cc(Nc3ncccc3)ncc2	834
+c1cnccc1-c2ccc(cc2)C(C(Nc3ncccc3)=O)CC4CCCC4	142
+C1C2(CCC1(CCC2)NC(=O)c3nc(C)cnc3)C(Nc4ncccc4)=O	142
+c1cccn2c(-c3nc(Cl)ncc3Cl)cnc12	10558
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4ccc(cc34)C(O)c5c(nccc5)OC	2988
+c1(C(C=O)C)ncccc1Cl	24
+c1(ncccc1OCCN(CC)CCNC(c2nc3n(cc(cc3)I)c2)=O)F	2588
+c1(ncn(-c2c(F)cc(N)cc2OC)n1)C	0
+c1c(c(ccc1F)C2c3nc(nc(c3CC2)NC(C)CCCOc4cc([N+]([O-])=O)ccc4-n5cnc(C)n5)Cl)F	40
+c1cc(ccc1F)C2CCc3c2nc(Nc4ccc(-n5nc(nc5)C)c(OC)c4)nc3NC	55
+c1(ncn(n1)-c2ccc(N)cc2OC)C	0
+c1(ncn(n1)-c2ccc(cc2OC)C#CCCCC=O)C	24
+c1cc(ccc1F)N2C(c3c(cccc3N=C2C(CC)Nc4ncnc(N)c4-c5nn(cn5)C)Cl)=O	40
+c1c2c(sc1C(=O)OCC)ncnc2Cl	10559
+c1(nn(c2cc(ccc12)N)Cc3ccc(C(=O)OC)cc3OC)OC	0
+c1n(nc(c1)N)CC(Nc2cccc(c2)F)=O	161
+c1(nn2c(cccc2Br)c1N)CC	209
+c1cc(ccc1Oc2ccnc3c2ncc(c3)OC)Nc4c5c(c(Cl)nn4)cccc5	1443
+c1(nncc2c1ccc(C)c2N)O	0
+C(CCc1nnn[nH]1)(c2cc(c(cc2)Cl)Cl)=O	214
+c1(nnn[nH]1)CCC(=O)O	4
+Oc1ccccc1C=Cc2cc(no2)CC	10560
+c1(nsc2ccc(N)cc12)NCCNC(=O)c3ccccn3	0
+c1(oc(C=O)cc1)CCCCCCCC(=O)O	4
+c1c(ccc2oc(C(=O)OCC)cc12)O	5
+C(C)C(CC)(c1cc(c(cc1)O)C)c2cc3c(cc(C(=O)OCC)o3)cc2	4438
+c1cc(ccc1-c2c(C(NC)=O)c3cc(c(cc3o2)N(C)S(=O)(=O)C)C4CCCN(c5nc6c(C#N)cccc6o5)C4)F	2600
+s1c(-c2c3ccccc3ccc2)c(nc1C(O)=O)C	6
+n12cc(COC(C)=O)sc1cnc2	10561
+c1cc(ccc1F)C(=O)Nc2c(nc(Nc3cc4cccnc4cc3)s2)C(N)=O	3154
+C1N(C(N(C1O)c2sc(C(C)Oc3cc(c(Cl)cc3)Cl)nn2)=O)C	88
+c1-2[nH]c3ccccc3c1Cc4c-2ccc(NCC)c4	15
+C(C)N(CC)c1cc2Cc3c([nH]c4c3cccc4)-c2cc1	15
+c1c2n(cc1C#N)-c3ccccc3N(CC)C2=O	1453
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C)Cc4c5cc(O)ccc5[nH]n4	101
+n1c2cc(nc(N3CC4C(NCC4)C3)c2ncc1)Cl	5024
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4C(CCC(C(=S)N)C4)C	199
+C1C2CCC(CN1)N2S(=O)(=O)CC	5024
+O(CC)C(OCC)C(N(Cc1cccc2cccnc12)C(C(C)N)=O)C	2139
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4C5CN(c6c7c(nccn7)cc(n6)Cl)CC5CC4	10562
+c12-c3c(cccc3)C(c1cccc2)COC(N4CCC(CC4)(CO)c5ccc(cc5)Br)=O	21
+C1CC(CCO1)NC(=O)c2c3c(cc(C(C)N)n2)cccc3Cl	2769
+n1ncn(c1)-c2ccccc2CNC(=O)C3N(C(C4(c5ccccc5-c6c4cccc6)O)=O)CCC3	9
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C4=Nc5cccc(C)c5C(=O)O4	2665
+CC(C)C(=O)Oc1cc2c(cc1)n[nH]c2CC(N)C	2769
+c1cc(ccc1)CC(C(=O)NCC(O)=O)N	2139
+Clc1cc(cc2cc[nH]c12)F	1561
+c1c(cc2cc[nH]c2c1CC)Br	1561
+c12C(=O)c3c(ccc(Br)c3)-c1nc(cc2)C=O	178
+N#Cc1ccc2C(=O)c3c(ccc(Br)c3)-c2n1	4676
+C1(CCOc2ccccc12)CC=O	24
+c1cc(c(CO)c(CO)c1)C	98
+c1ccccc1COc2cc(O)c3c(Oc4ccccc4C3=O)c2	22
+c12C3=C(C(CCC3(C)Cc1cc(cc2)O)=O)Br	5
+n1(c2c(c(C=O)n1)C3CCC2C3)C	178
+c12CC(C(O)=O)NC(CCC)c1[nH]c3ccccc23	4
+C1c2cc(c(cc2CC13C(NC(=O)N3C)=O)N)N	0
+c12CCC(Cc1c(N)ccc2)O	100
+c1ccccc1OC(Nc2cccc3CCC(O)Cc23)=O	90
+n1cccnc1N2CCN(CC2)C3CCc4cccc(OC)c4C3	85
+c1cc2c(CCC(NC(CC)=O)C2)c(N)c1OC	0
+C12CCC3(C)C(CCC3C1CCC=4CC(OC)=CCC2=4)=C	10563
+n1cc2c(CCCC2O)c(Br)c1	652
+C1CCCc2c1cc(c(N)n2)N	13
+c1ccccc1COC(NCC2Cc3c(c4c(CCC4)cc3Cl)O2)=O	101
+c1c2c(CCNC2C)c(Br)cc1	1218
+c1cc(ccc1OC)S(=O)(=O)N2c3c([N+](=O)[O-])cc(cc3CC2)Br	416
+c1c2c(CCc3ccccc3C2=C4CCC(CC4)NC(=O)OCc5ccccc5)ccc1	904
+C1Cc2ccccc2C(c3ccccc13)C(C(=O)O)C(=O)O	3
+c1cc(ccc1C(=O)N2c3c(cccc3)Cc4c(C2)cccc4)[N+]([O-])=O	448
+c1cc(ccc1C(=O)N2Cc3n(ccc3)Cc4c2ccs4)[N+](=O)[O-]	4028
+c1cc(ccc1Cl)CNC(C2=CN3c4c(cc(cc4N(C)C(C3)=O)I)C2=O)=O	1267
+C1(N(C(N(c2c1cccc2)CC(=O)Nc3cc(Cl)c(OC)cc3OC)=O)CC(=O)O)=O	4
+c12OC(=O)C3=C(C(C(C(=O)Nc4[nH]nnn4)=CN3C)=O)c1cccc2	10564
+c12OC(=O)C3=C(C(C(=CN3C)C(=O)O)=O)c1cccc2	108
+c12OCC(C)N3c1c(c(N)c(c2F)F)C(C(C#N)=C3)=O	10565
+c1ccc2c(OCCCC2N)c1	840
+O=S(=O)(n1c2c(cc1)c3CN(C)CCOc3cc2)c4ccccc4	367
+c1c(cc2c(c1)OCCO2)O	1437
+c12OCOc1cc3C4(c5c(N(C4=O)CC(=O)O)cccc5)COc3c2	3
+c12OCOc1cc3C4(C(N(CCC=O)c5c4cccc5)=O)COc3c2	24
+O(C)C(c1c(C(O)=O)c(OCc2cc3c(OCO3)cc2)ccc1)=O	1
+c12[nH]c(C)cc1cc(cn2)O	390
+c12c(NC(C1=Cc3[nH]c4CCCCCc4c3CCC(=O)O)=O)cccc2-c5cccc(F)c5	292
+c12c(C(C(N1)=O)=Cc3[nH]c4CCCCCc4c3CCC(=O)O)cc(cc2)Br	292
+NC(=S)c1cc2c([nH]1)c(cc(c2)Oc3cnc(cc3)COC)OC	742
+c12[nH]c(cc1cc(Oc3cnc(cc3)COC)cc2OC)C(=O)O	6
+c1ccccc1-c2cc(C)c3[nH]c(CCC)nc3c2	495
+c1ccccc1C=C2C(=O)c3c(c4c(c(ccc4[nH]3)Cl)Cl)CC2	1103
+c12C(CNc1cccc2)C	10566
+c12c(c(CC(NC(=O)C)CO)c[nH]1)nccc2	44
+[N-]=[N+]=NCc1ccc2c([nH]cn2)c1	925
+c1n(c2c(ccc(N)c2)n1)-c3nc(Cl)cnc3	10567
+c12[nH]cnc1ccc(N)c2	0
+c12[nH]cnc1ccc(CO)c2	217
+c1ccccc1N(NC(c2c3ccccc3nc(c2Cn4cnc5c4cccc5)-c6ccccc6)=O)C(OC)=O	10568
+c1cc(ccc1S(=O)(=O)Nc2nccs2)-c3nc4c(cccc4)[nH]3	10569
+c1cc(ccc1-c2nc(co2)C(OCC)=O)Cn3cnc4ccccc34	1947
+c1ccccc1C2=CCN(CC(=O)Nc3cc4c(-c5nc(O)c6c(cccc6)c5C4)cc3)CC2	10570
+c12c(-c3c(cccc3)C1)ccc(c2)CCC(O)C	100
+c1c2c(CCN2)c(Br)cc1	931
+c1c2cnc(Cl)nc2c(Br)cc1	10571
+c1ccccc1CC=2C(N3CCSC3=NC=2C(CC)N)=O	1764
+C1(c2c(C(=O)N1C(c3cc4c(nc3-c5sc(C)nn5)c(ccc4)Cl)C)cccc2)=O	10572
+c1cc(ccc1)C2C(N)CCC2	45
+CC(C)(c1ccccc1)C(NC(=O)c2csc(-c3n(ncc3)C)c2)CN	45
+c1ccc2c(c1)C(=O)N(C2=O)CC3NCCCC3C	62
+c12c(C(=O)N(C1=O)CC=CCCCC(O)=O)cccc2	4
+C(C=CCCCC(=O)O)N	1764
+O1CCOC1(CCCCCCN)C	45
+c12c(C(=O)N(C1=O)CCCCCCCCCCCCP(O)(O)=O)cccc2	228
+c12c(C(=O)N(C1=O)CCCCCCCCCCCCP(OCC)(=O)O)cccc2	228
+C(CCc1cc2c(cccc2)nc1)CCCN	45
+c1cc(ccc1-n2cnnn2)OCCCCN	45
+c1cc(ccc1N)OCCCCN2C(c3c(C2=O)cccc3)=O	0
+c1(F)cc(cc(F)c1)OCCN(CCCN)C	45
+C1(c2c(C(=O)N1CCCN(S(=O)(=O)c3ccc(cc3)C)CC(F)(F)CCN4C(c5c(C4=O)cccc5)=O)cccc2)=O	896
+c1cc(ccc1F)Cc2cnc3c(N(CCN)C(=O)C(C(=O)NCCOCC)=C3O)c2	45
+C(c1ccc2ncccc2c1)n3nnc4c3nc(C(=NOCCN)C)cn4	45
+c12c(C(=O)N(C1=O)CCc3n(CCC)nc(c3)C#N)cccc2	331
+c12c(C(=O)N(C1=O)CCc3cc(nn3CCC)C(=O)O)cccc2	6
+CC(C)(Cn1c2c(nc1CN)cnc3cccnc23)O	45
+c12c(C(=O)N(C1=O)c3c(cc(Cl)c(N)c3)F)cccc2	0
+c12c(cccc1F)n(Cc3c(F)cc(-c4cnn(C)c4)cc3)cc2C(OC)=O	962
+C(Sc1c(ccc(F)c1)F)CN2CC(CC(=O)OC)C(CC2)CCC(=O)c3c4c(ccc(OC)c4)ncc3F	155
+c1ccccc1COc2nc(cc(OC)c2CN3C(=O)c4c(Cl)c(cc(Cl)c4CC3)Br)C	4354
+n1c(c(ccc1NCc2c(Cl)cccc2)Cc3c[nH]c4c3cccn4)F	10573
+C1CC(CCN1C)c2c[nH]c3c(C)cc(cc23)OC	671
+c12c(C)ccc(N)c1[nH]cc2C#N	13
+CC(C)c1c(ccc(C(=O)n2ccc3c([N+]([O-])=O)ccc(C)c23)c1)OCc4ccccc4	10574
+c1cc(ccc1CNC(c2ncnc3scc(C)c23)=O)Cl	81
+C12=C(C(C(=C(OC)C1=O)OC)=O)CC(C2)(C(NC)=O)CCCCCCCCO	1450
+c12c(CC(C1)C3NC(=O)C(N(C3=O)Cc4ccccc4C=O)C(CC)CC)cccc2	39
+c12c(CC(C1)C3NC(C(C(CC)CC)N(C3=O)Cc4ccccc4N)=O)cccc2	0
+C(C(=O)O)CC1CCc2c(C1)nc3c(CCCN3)c2	3
+c12cccc(OC)c1occ2CCO	44
+O(c1ccc(O)c2c1CCC2)C	5
+c12cc(c(I)cc1CCC2)CO	41
+c1(cccc(F)c1)N2C(c3c(cc4c(CCC4)c3)C2=O)O	5025
+c12c(CCC1)cc3c(C(=O)N(C3=O)c4cccc(F)c4)c2	668
+c1c2c(N(CC2)c3c4c(CCC4)nc(-c5ccc(s5)Cl)n3)cc(c1)O	860
+c12c(CCC1Cc3nc[nH]c3)cc(c(CO)c2)O	41
+c12c(CCC1Cc3nc[nH]c3)cc(c(c2)C=O)O	5
+c1cc(ccc1N(C)C(C2c3ccccc3CCC2)=O)OC	3194
+Nc1cccc2nc(CN(C)C3c4c(CCC3)cccn4)[nH]c12	13
+Clc1c2c(cc3CCN(CCc13)C(OCC)=O)CCC(N2)=O	10575
+[N+](c1cc(Br)c2[nH]ccc2c1)([O-])=O	1452
+c12CCc3ccccc3C(c1cccc2)C(C(=O)OCC)C(=O)O	3
+c1ccccc1CCCC(C(C)O)C(NC(c2c(nc(nn2)Cc3c4ccccc4ccc3)O)C)=O	9
+c1cc(ccc1OCc2ccccc2)-c3c4ccccc4nc5CCCCc35	699
+c1cc(ccc1OC)COc2c3ccc(c(Cl)c3nc(Cl)c2)OC	260
+c1cc(ccc1C(C)(C)c2c[nH]c3cccc(Cl)c23)OC	1263
+Nc1cc2c3c(Cl)ccnc3[nH]c2cc1	0
+N(C)c1cc2c3c(Cl)ccnc3[nH]c2cc1	695
+c12ccc(C)c(c1cnnc2Nc3cccc(C(=O)C)c3)I	1443
+C1(Cc2cccc(F)c2N1CCF)=O	1562
+c12cccc(F)c1NCC2	931
+c12nc(NC(=O)CN3C(N(c4c3cccc4)c5ccccn5)=O)ccc1CC6(c7cccnc7NC6=O)C2	142
+c1cc(ncc1Br)C(Nc2c3c[nH]nc3cc(-c4c5cc[nH]c5ccc4)c2)=O	187
+c1cc(ccc1)-n2ncc3c(cc(cc23)C)N	2993
+C(CC1c2c(NC(=O)C1)cccc2)OC	21
+c12c(O)c(C#N)cnc1cc(c(OC)c2)F	1014
+c1c(Cl)c2c(c3c(c(OC)c2)cccn3)nc1CO	398
+c12c(OC)ccnc1c(N)c(Cl)cc2	13
+c12OCC(Cc1c(ccc2)O)C	241
+C(COc1ccc2cccnc2c1)CNCC3Oc4cc(ccc4OC3)OC	132
+c1cc(ccc1S(=O)(=O)OCC2COc3ccc(cc3O2)OC)C	36
+c1c2c(OCCO2)cc(C(c3c(ccc(I)c3)Br)=O)c1	222
+c1(cc(c(cc1)Cl)C(c2cc3c(cc2)OCCO3)=O)I	222
+c1cc(ccc1-c2cn(CC)c3cccc([N+](=O)[O-])c23)C	550
+N1(CCc2ccc(-c3cn(c4nccc(N)c34)C)cc12)C	0
+Nc1cc(ccc1O)Oc2c3c([nH]cc3)ncc2	0
+C(c1c(Sc2c3c([nH]c2)cccc3)cccc1)C(O)=O	4
+c12c([nH]cn1)cc(N)cc2C(=O)OC	0
+c12c3c(OCC3)ccc1c(c[nH]2)CC	1283
+c12c(c(C)cc(N)c1)ncc(Cl)c2	0
+c12c(c(C)cc(c1)Br)ncc(c2)F	10576
+c12c(c(CC(N)CO)c[nH]1)nccc2	524
+c1ccccc1COC(=O)NCCCNc2c3c(nc(c2[N+]([O-])=O)Cl)cccc3	105
+c1cc(ccc1-c2c3c(nc(C#N)c2)cc(cc3)C)F	699
+c1(c(c2[nH]ccc2cc1Br)C(=O)O)F	1452
+O=C1c2ccccc2C(=O)N1CCCN(c3c(F)cc(C4=CC(=O)c5c(c(F)cc(c5N)F)O4)cc3)C(C)=O	988
+c12c(cccc1I)c(ccn2)O	1220
+c1c(c(ccc1)Nc2[nH]c3c(O)cc(cc3n2)C#N)Br	390
+c1c(c(c2c(c1)C3=CC(=O)CCC3(CCCC)C2)C)OC	2992
+c1c(c(c2CC3(CCCC)CCC(C(=C3c2c1)C)=O)Cl)OC	10577
+C1N2C(CN(CCc3cc(OC)c(cc3)C#N)C1)COC(c4c(c5COC(c5cc4)=O)C)C2	61
+c12c(Cl)ccc(N)c1nccc2	13
+c12c(O)c(cnc1cc(c(OC)c2)F)C(=O)O	6
+c1(C)c(N)cc2c(c(ncc2)O)c1	106
+c1cc(ccc1OC)CN2C(=O)c3c(cc(cc3)F)C=C2	5022
+c12c(c(ncn1)Nc3cc(N)cc(OC)c3)scc2	0
+c1cc(ccc1O)Sc2c3c(Br)cccc3nc4c2cccc4	5026
+c1cc(ccc1Cn2cc3c(c(nc4ccccc34)O)n2)OC	10578
+c1cc(ccc1)-c2c3c(ccc([N+](=O)[O-])c3)[nH]c2	550
+c1cc(ccc1-n2c3ncnc(Cl)c3c(c2)Br)C	5005
+c12c(cc(-c3cc(ccc3C)F)cc1)cnc(c2)Nc4nc(ccc4)OC	834
+c12c(cc(-c3cc(ccc3C)F)cc1)cnc(c2)Nc4nc(O)ccc4	104
+c12c(cc(C(NCc3cnccc3)=O)cc1)ncn2-c4cc(ccc4)NC(C)=O	14
+c12c(cc(cc1sc(Br)n2)CO)F	49
+c1cc(ccc1C(=O)Nc2ccc(c(c2)CNc3cnc4[nH]c(C(=O)OC)cc4c3)C)CN5CCN(CC5)C	3118
+c12c(cc(C(=O)OC)[nH]1)cc(N)cn2	13
+c12c(cc(C(=O)OC)[nH]1)cc(CN)cn2	388
+c12c(cc(c(c1)OC)COC)cc(cc2)Br	49
+c12c(cc(C(NCc3cnccc3)=O)cc1)ncn2-c4cccc(N)c4	106
+c12c(cc(c(c1)OC)C=O)cc(cc2)Br	39
+c12c(cc(cn1)CO)nc(s2)-c3c([N+]([O-])=O)cccc3	88
+Clc1c(Cl)cc2c(c1)OCC(=O)N2CC(=O)O	3
+N(C(NC1C(CN(C)C2CCc3c(C2)ccc(F)c3)CCCC1)=O)c4cc(-c5n(C)nnn5)cc(c4)CC	238
+c12c(cc(N)cc1)N(C(=O)O2)C	0
+c1ccccc1CC(C(OCC)=O)NC(Cn2c3c(cc2)cc(cc3)[N+](=O)[O-])=O	188
+c12c(cc([N+]([O-])=O)cc1)ccn2CC(=O)O	4
+c12ccccc1cc(N)cc2C(OC)=O	0
+Nc1cc2c(nc(o2)C)c(c1)O	0
+c1(C)c(N)cc2c(c1)OC(C3=C2CCNC3)=O	0
+c1cc(ccc1F)-c2cc3OCOc3cc2Br	11
+c1cc(ccc1NCc2ccc3cc(O)c(C(O)=O)cc3c2)C(C)C	208
+c1cc(ccc1)C(COC(c2c(cc3c(c2)cc(C(=O)OC)cc3)O)=O)=O	10579
+c12c(cc(C=C)c(c1)OC)cc(cc2)Br	443
+c12c(cc(CO)c(c1)OC)cc(cc2)Br	88
+n1(ccnc1)-c2cccc(-n3c4ccc(cc4nc3)C=NOC)c2	10580
+c12c(cc(C=O)cc1)ncn2-c3cccc(c3)Br	39
+c1ccccc1COc2c(cc(cc2)-n3c4c(cc3)c(cc(F)c4)Br)F	1194
+c12cc(cc(c1cccc2)CO)CCOC	98
+c1(cc2c(c(c1)CO)cccc2)Br	98
+c1(cc2ccccc2c(COC)c1)Br	49
+c12c(cc(C(=O)O)cc1sc(Br)n2)F	1
+c12c(F)cc(C=O)cc1sc(Br)n2	39
+c12c(cc(COC)cn1)nc(s2)-c3c([N+]([O-])=O)cccc3	382
+Nc1c2cccnc2c(cc1)C#N	0
+c1c2ccc(cc2cc(c1)C(O)=O)C(C)=O	1
+Nc1ccc(F)c2cccnc12	13
+c12c(ccc(N)c1OC)CCC2=CCN	3642
+Nc1ccc2c(C(CCNC(C)=O)CC2)c1OC	191
+c12c(ccc(c1)O)CCC2CCNC(C)=O	5
+C(c1c(ccc2cc(OC)ccc12)O)C=C	423
+c1(C=O)cc2c(cc1)cco2	1766
+c1cc(ccc1[N+]([O-])=O)Cc2cn(C)c3ccc(C(=O)OC)cc23	10581
+c1c(ccc2-c3c(cccc3)Cc12)C	3072
+C(C(C)=O)=Cc1cc2c(cc1)-c3c(cccc3)C2	10582
+Fc1cc(cc(F)c1)-c2c(CC)nc3c(cc(cc3)F)c2O	796
+c1c2c(ccc1OCCCl)C(CC2)C(OC)=O	267
+c12c(nc(c(c1)C(C)N)-c3ncccc3)cccc2Cl	45
+C1(=O)c2ccccc2C(=O)N1CCCCC(C#N)(N3C(c4ccccc4C3=O)=O)CF	1656
+O=C1c2ccccc2C(=O)N1C=Cc3cc4c(cc3)ncc5nc(n(CCCN6C(CCC6)=O)c45)CCOC	5027
+c1cc(ccc1CCO)C=CN2C(=O)c3ccccc3C2=O	5027
+C1(c2ccccc2C(=O)N1CCCOc3ccc(F)cc3[N+](=O)[O-])=O	8
+C1(c2ccccc2C(=O)N1CCCOc3cc4ccc(O)nc4cc3)=O	8
+C1(c2ccccc2C(=O)N1CCCOc3cccc(C4N(CCC4)c5ccn6ncc(C(OCC)=O)c6n5)n3)=O	1923
+O=C1c2c(cccc2)C(=O)N1CCCN3CCN(CC3)Cc4ccccc4	28
+c1cc(ccc1Cl)CCNCCCN2C(=O)c3ccccc3C2=O	132
+c1cnccc1OCCCN2C(c3ccccc3C2=O)=O	8
+c12c(C(=O)N(C1=O)CCCCOc3ccc(cc3)[N+]([O-])=O)cccc2	8
+c1ccccc1C(c2ccccc2)N(C)CCN(CCCCN3C(=O)c4ccccc4C3=O)C	28
+c12c(cccc1)C(=O)N(C2=O)CCCCC(c3occc3)O	3627
+c12c(C(=O)N(C1=O)CCCCCCC(=O)C)cccc2	1965
+c1cc(ccc1SC(C#N)(CCCCCN)c2ccc(OC)c(c2)OC)C	45
+O(c1c(C)cccc1)CCCCCCCCN	45
+C(CN)CCCCCCOc1cc(F)ccc1	45
+c1(OCCCCCCCCN)cccc2ccccc12	45
+c12c(cccc1)C(=O)N(C2=O)CCCCC=O	24
+CCn1c(c2c3ccccc3nc(N)c2n1)CCCCN	45
+CN(C)C(=S)Oc1ccc(cc1)CCCCN	45
+c1c2c(oc1CCCCN)cc(cc2)C(=O)OCC	45
+O=S(=O)(c1c([N+]([O-])=O)cccc1)N(CCCN)C(C)C	45
+c1cc(ccc1CCN(CC)CCCN)Cl	45
+c12c(c(F)cc(F)c1OC(c3cc(F)c(NCCCN)cc3)=CC2=O)N	45
+C(N)CCSc1ncco1	45
+c1cc(ccc1CCCN)CCCCC	45
+c12c(C(=O)N(C1=O)CCN3c4cc(cnc4C(=C(C(=O)OCC)C3=O)O)Cc5ccc(cc5)F)cccc2	3380
+C(CN(Cc1nc2c(cc1)cccc2)C)N	45
+O=C1c2ccccc2C(=O)N1CCSCc3oc(CO)cc3	3155
+c1c(C)nc(CCN)cc1	45
+CC(C)COc1nc(ccc1-c2c(F)ccc(OC)c2)CN	45
+c1cc(ccc1)COC(N2CC(C(CC)C2)Nc3c(cnn4c3cc(-c5cnc(CN)cc5)c4)C(=O)N)=O	45
+c1(cc(CN)no1)-c2cccnc2	45
+O=S(=O)(c1cccc2cnccc12)Oc3cc(C)cc(c3)OCCCON	670
+N(c1cc([nH]n1)-c2cc(ccc2)OC)C=C3c4ccccc4NC3=O	4604
+c1cccc2c1C=Cc3ccccc3C2O	488
+c12c(cccc1)CC(C(O)=O)C(N2)=O	4
+c12c(cccc1)CC(C2)Nc3nc(nc(n3)NCc4ccc(cc4)C(=O)Nc5ccccc5N)N	67
+c12c(cccc1)CC3OCC(N(CC(O)=O)C23)=O	3
+c12c(cccc1)Sc3c(cccc3)C2=CC(NCCCCCC(=O)Nc4c(cccc4)N)=O	33
+c12c(cccc1)Sc3c(cccc3)C2=CC(NCCCCCC(=O)O)=O	4
+c12ccccc1c(CC(=O)O)nn2Cc3ccc(nc3)NC(c4cc5ccccc5cc4)=O	3
+c12ccccc1c3c(cccc3)n2CC(O)CNCc4ccco4	122
+C1Oc2c(C1=O)c3c(cccc3)cc2	214
+O=C1c2c(C(=O)N1CCOc3cc4c(cc3)cccc4)cccc2	332
+c1cc(ccc1NC(NCC2OCCN(Cc3cccc4c3cccc4)C2)=O)Cl	171
+c12c(n(CCO)c(N3CCCNCC3)n1)cccc2	665
+c12c(cccc1)n(c(N3CCCNCC3)n2)CCOCC	215
+c1cc(c(cc1CN2C(CCNc3nc4c(c(O)c3)cccc4)CC=CC2)Cl)Cl	554
+c1(Cl)c2c(N(C(C2)=O)C)ccc1	1562
+O=C(O)c1c2c(cccc2F)n(Cc3c(F)cc(-c4cnn(C)c4)cc3)c1	1
+c1c(c(cc(c1)Nc2ncnc3cccc(F)c23)Cl)OCc4cnccn4	73
+c1cc(ccc1C)S(=O)(=O)OCCOCC(c2ccc3sccc3c2)O	36
+c1cc(ccc1C#N)-c2ccc3c(cnc(CCN4C(C)CCC4)c3)c2	11
+c1cc(ccc1C)S(=O)(=O)OCCc2cc3c(cn2)cc(cc3)Br	36
+c12c(cnc(c1cccc2C)O)C(=O)O	104
+c12c(cncc1)ncn2-c3ncccc3	10583
+c1ccccc1CN2CCc3c(C2)ncn3-c4ncccc4	10584
+c12c(cncc1F)sc(-c3c(N)cccc3Cl)n2	0
+[nH]1c2c(c(c1)-c3cc(ccc3)C#N)c(ncn2)Cl	10585
+c1ccccc1C(Nc2c3cccc(F)c3n[nH]2)=O	330
+c1(nc(SC)nc(Cl)c1C#N)NC(C)c2nc3c(cc2-c4ccnn4C)n(cc3)C	40
+c1c2c(oc(n2)CC)cc3c1CCN(CC3)CCCSc4nnc(n4C)-c5c6ccc(C)nc6ccc5	53
+c1cc(ccc1-c2ccccc2-c3[nH]nnn3)CNc4nc(nc5c4CCCC5)C	40
+c12c(nc(C=Cc3ccc4OCc5c(cccc5)C(O)c4c3)cc1)cc(Cl)c(F)c2	488
+c1(c2c(CCC2C)ncn1)O	10586
+c1cc(ccc1)Oc2ccc(CNC(=O)c3c(nc4CCCc4c3)N)s2	56
+c12c(nc(c(c1)C(=O)O)N)CCC2	6
+c1ccccc1C(O)CNc2nc(nc3sc(cc23)C)C	1108
+CCCNc1nc2c(nc(CN)nc2NC)c(n1)NC	10587
+c1cc(CNc2c3cc(C#N)ccc3nc4CN(C(=O)c24)CC)cc(Cl)c1OC	105
+c12cccc(CO)c1nc[nH]2	295
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc5c(c(ccc45)Br)C	10588
+c1cc(ccc1)OC(=O)Nc2cc3CCCc3nc2	950
+c12c(ncc(N)c1)CCC2	13
+c12c(c(N)c[nH]1)nccc2	193
+c1c2c(N(c3c(nccn3)S2)COC)cc(CO)c1	98
+[nH]1c2c(ncc(-c3cccc(Nc4ncnc5ccccc45)c3C)c2c6ccc(OCCOC)cc16)C(N)=O	73
+c1ccccc1C=2c3c(cccc3)C(=O)OC=2C(C)n4ncc5c(N)ncnc45	10589
+c1cc(ccc1C(N2C(=O)CC(C(Oc3nc(cc4nn(C)cc34)Cl)C)C2)C)OC	10590
+C(C(OCC)=O)n1nc(C#N)c2c1C(C3C2C3)OCOC	331
+c1cc(ccn1)C(NC(C(C)(C)Cc2ccccc2)n3nnc4ccccc34)=O	5028
+c1cc(ccc1)C(=O)NC(n2c3c(cccc3)nn2)C(C)(C)Cc4ccccc4	5028
+c12c(nnc(c1c(N)ccc2)O)Cc3ccc(F)c(Br)c3	0
+C(C)OC(N1CCc2c(ccc3CCC(=O)c23)CC1)=O	1762
+C1(C)Cc2c3c(c(N)c(c2F)F)C(C(=CN13)C(=O)O)=O	0
+c1ccc2CCN3CCCc1c23	10591
+c1c2c3ccc(cc3n(c2cc(c1)OC)-c4ccccc4OC)OC	2246
+c1c2C(N(C(c3cccc(cc1N)c23)=O)CCCC(=O)O)=O	0
+C(CCCO)n1c2c3c(cccc3)ncc2nc1CCC	237
+C1(C(C)=O)CCSc2[nH]c3c(c12)cccc3	86
+c1ccc2c(c1)c3ccccc3c4cnc(O)cc24	104
+c1cc(ccc1)-c2nc(nc(Cl)c2)-n3c4c(cccc4)c5ccccc35	198
+c1ccccc1COc2c3c([nH]nc3)ccc2	22
+c1cc(ccc1Oc2c3cc(c(OCCOC)cc3ncc2)C#N)[N+]([O-])=O	242
+c1c2[nH]c(cc2ccc1Oc3nc4c(s3)cccc4)C(OC)=O	1523
+O=CC1=C(c2cc(C)ccc2N(C1=O)CCCCCC)OC	10592
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(OC)cc4C	2829
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(cc4C)O	5
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(C(=O)O)cc4C	1
+c1cc(ccc1OCC2CCN(CC2)C(=O)C=Cc3cnc4c(CC(C(OC)=O)C(=O)N4)c3)F	404
+c1c(c(F)c(c(c1)C=Nc2c3c(cc(c2)F)nc(O)cc3)Cl)OC	457
+c1c2c(ccc1)oc3ccc(cc23)-n4c5ccc(cc5c6ccccc46)Br	2246
+c1ccccc1COc2c(NC(C)=O)cc3ccccc3c2	22
+c1(c(nc2cc(OC)c(OC)cc2c1)Cl)C#N	1453
+c12C(CCc1cc(CCCCCC)c(c2)O)=O	5
+c1cc(ccc1Oc2ccnc3cc(OC)cc(c23)OC)[N+](=O)[O-]	242
+c1(cc2c(c(c1)O)nccc2)OC	390
+c1(ccc2c(-c3[nH]c4ccccc4c3C2)c1)OC	1150
+c12cc(ccc1[nH]cc2C(=O)c3cccc4ccccc34)OC	787
+c1ccccc1CN2C(C(CC2=O)c3c[nH]c4ccc(OCC#C)cc34)=O	10593
+c12cc(OCCCC(=O)O)c(cc1CCC2=O)CCCCCC	3
+c1cc(Oc2ccnc(n2)N)cc3CCNc13	931
+c12cc(Oc3ccnc(n3)N)ccc1[nH]cc2	511
+O=C(n1ccc2cc(Oc3ncnc(N)c3)ccc12)NC	2121
+c12C(Cc1ccc(N)c2)=O	0
+c12cc(N)ccc1CCCCN2C(=O)C	0
+c12cc(N)ccc1CCCN2C(=O)C	0
+c1c(C#N)nc2c(c1)cc([N+]([O-])=O)cc2	10594
+c1cc(cc(C)c1Oc2cnc(C)cc2)Nc3ncnc4cc([nH]c34)-c5occc5	1190
+c1cc(ccc1S(=O)(=O)NC(C(C)C)C(=O)OC)-c2ccc(cc2)COc3c(cc4ccccc4n3)C	1155
+c1ccccc1NC(Cc2n[nH]c(Nc3c4c(cc(OC)cc4OCCCl)ncn3)c2)=O	33
+O=Cc1c2c(cc(CCOC)c1)cccc2	39
+c1ccccc1COc2cc3c(CCC3=O)cc2	22
+c1cc2c(cc1F)C(O)CCC2	74
+c1cc(N)c(NC(CCCCCNC(c2cccc(C=C3c4c(NC3=O)ccc(c4)F)c2)=O)=O)cc1	33
+c12cc(ccc1NC(=O)C2=Cc3cccc(C(NCCCCCC(=O)O)=O)c3)F	4
+C(c1cc2c(OC(C)C(=O)N2)cc1)(=O)O	1
+c1ccccc1S(=O)(=O)n2c3c(cc(OCC=C)cc3)cc2	367
+c1(C=O)cc2c(cc1)c3c(c(N)n2)ncc(c3)CCc4ccc(OC)cc4C	39
+c12cc(ccc1c3c(c(N)n2)nccc3)CO	98
+c12cc(CC)ccc1c3c(c(N)n2)nccc3	1393
+c1(C=O)cc2c(cc1)c3c(c(N)n2)nccc3	39
+c1cc(ccc1)CC(=O)c2c(n(c3cc(C(OC)=O)ccc23)Cc4ccccc4Cl)CCC	432
+c1cc(ccc1F)-c2cc(F)cc3cc(C(=O)N)n(C)c23	1009
+c12cc(n(c1c(cc(c2)F)Br)C)C(=O)O	6
+c1cc(ccc1-c2cc(C)ncc2)CNc3nccc4cc(Cl)ncc34	4054
+c12cc(sc1c(Cl)c(Cl)c(OCC(=O)O)c2)C(O)C	3
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	73
+c1cc(ccc1N2C=CC=CC2=O)-n3cc(CNC(c4ccc5c(cc[nH]5)c4)=O)nc3	14
+c1cc(ccc1)-c2noc(c2-c3oc(nn3)-c4ccc5c(cc[nH]5)c4)C	2226
+c1cc(ccc1-c2c(Br)cccc2)Cn3ccc4cc(ccc34)C	4194
+c12cc[nH]c1ccc(c2)Nc3ncnc(Cl)c3[N+]([O-])=O	73
+c1cc(ccc1)NC(n2ccc3cc([N+](=O)[O-])ccc23)=O	10595
+c1cc(ccn1)CCc2c[nH]c3c2cc([N+](=O)[O-])cc3	10596
+c1cc(ccc1C)S(=O)(=O)n2c3c(cc(cc3)F)cc2	367
+n1c(c2c(n[nH]c2)nc1)-c3cccnc3Nc4c5c(ccc4C)c(Cl)ncc5	3147
+c12ccc(C)c(N)c1ccnc2Cl	0
+c1cc(ccc1C(Nc2nccc3c2ccc(C)c3[N+]([O-])=O)C)Cl	70
+c1ccccc1Cn2c3ccc(nc3cc2C#N)Cl	5029
+c12c3ccccc3nc(Nc4cc5c(c[nH]n5)cc4)c1[nH]nc2	10597
+O=S(=O)(c1ccc(cc1)C)n2ccc3c(Nc4ccc5cn[nH]c5c4)nc(nc23)Cl	1665
+Nc1cc2ccc(O)nc2cc1	0
+c1cc(ccc1)OC(N2CCC34C(C2Cc5c3cc(OC(C)=O)cc5)CCOC4)=O	1142
+c1cc2CC(Cc2cc1OC)C(OC)=O	4378
+c12ccc(OCC)cc1cc(OC(C(=O)O)CC)cc2	4
+c12cc(ccc1oc(C=O)c2)-c3noc(-c4ccc(c(OCC)c4)OCC)n3	2180
+c12cc(ccc1cc(CO)cc2)C	49
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3cc4[nH]ncc4cc3	1505
+C(c1ccc2c(c(ccc2)O)n1)N	2880
+C(c1ccc2c(ccc(n2)C)c1)N	107
+Nc1cc2ccc(nc2cc1)C	0
+c12ccc(nc1ccc(C#N)c2)C	274
+c1cc(ccc1Cl)-c2c3c4c5c(ccc4cc2)cccc5cc3	11
+c1cc(ccc1)Cn2c3c(c4c2cccc4C(OC)=O)C(=O)CCC3	190
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)C=O	39
+C1Cc2c(NC1)c(ccc2)O	1352
+c1cc(ccc1-n2c3cccc(c3nc2)[N+]([O-])=O)C#N	5009
+COc1c2CNCc2ccc1	162
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CC[N+](=O)[O-]	364
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CCN	157
+Nc1cccc2c(cccc12)CC(O)=O	0
+c12ccccc1-c3c(cccc3)C2COC(=O)NC(COS(=O)(=O)c4ccc(cc4)C)(C(OC)=O)C	36
+c1(cc2c(cc1)-c3ccccc3C2CO)C	21
+c1cc(ccc1)C2(C(=O)Nc3ccccc23)O	4556
+c1cc(ccc1-c2ccc(cc2)-c3c(c(C)no3)CC(NC4c5ccccc5CC4O)=O)C6(CC6)C(=O)OCC	9
+c1c2c(C(Nc3nc(cnc3CC)CC)C(O)C2)ccc1	464
+c1ccccc1C#Cc2cc(c(N3C(C)=Nc4ccccc4C3=O)cc2)C	2103
+c12c(cccc1)C3(c4c(cccc4)C2C3)CN5CCC(CC5)(c6cccnc6F)O	10598
+C12CC(=O)C(CC1)c3ccccc23	86
+c1ccc2CCc3ccccc3C(c2c1)CCO	21
+C1Oc2cc(NC(CCNCC3COc4ccccc4O3)=O)ccc2O1	4844
+c1ccccc1CNC(=O)C2(c3c(cccc3)Oc4ccccc24)C	9
+c1cc(ccc1)S(=O)(=O)N2CC(c3cn4c5c(cccc35)CCC4)C(c6c[nH]c7c6cccc7)C2	92
+c1cc(ccc1)C(=O)N(C)C(CCNC(=O)c2ccnc3ccccc23)Cc4ccccc4	14
+O(CCO)CCc1cccc2ccccc12	21
+c1cc(ccc1F)C(=O)c2nc3c(c(Cl)n2)cccc3	2329
+C1CNc2c(C1)ncc3ccccc23	15
+Cc1[nH]c2ccccc2c1C(c3cccc4ccccc34)=O	787
+c1c2c(CNC)c3n(c2ccc1)CCC3	10599
+N(c1c(cccc1)NC(=O)c2sc3c(cccc3)c2Cl)C(=O)c4cc(C#N)ccc4	864
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(CCC(OC)=O)n2)Cl)OC	1108
+c12cc3c(cc1nc(cc2)CO)CC4(c5cccnc5NC4=O)C3	453
+C(OCCOCC)Cn1ccc2c3c(C(NC3=O)=O)c(cc12)-c4ccccc4Cl	3633
+c1cc(ccc1)COCN2C(=O)C(C)=C(c3ccc(cc3C)Oc4ncnc5ccsc45)N(C)C2=O	10600
+c12cnc(C#N)cc1c3c([nH]2)ncc(c3)Br	331
+c12cnc(CO)cc1c3c([nH]2)ncc(c3)Br	629
+c12cnc(cc1c3c([nH]2)ncc(c3)Br)C(=O)O	1
+c1c2c(cnc1O)[nH]c3c2cc(cn3)F	104
+c12cc(ncc1cccc2)C(C)O	1394
+c12cnc(cc1n(CC)cc2Br)C(=O)O	1
+c1cc(ccc1C(NC(Cn2c3c(c(ccc3nc2)F)Cl)=O)C)C(C)(C)C#N	2458
+c1cc(ccc1CC(OC)=O)CNCCCn2c3c4ccccc4nc(N)c3nc2CCCC	42
+c1cc(ccc1)C#CCOCCn2c(CCOC)nc3cnc4c(cccc4)c23	121
+n1(Cc2c3c(cccc3)ccc2)c(C(=O)OCC)c(CN)c4cc(F)ccc14	5003
+c1c(I)cc(c(Nc2c(C(=O)OC)ccc3cncn23)c1)F	3783
+C1(NC(=O)c2c1c(cc3n(c(CO)cc23)CCCOC)-c4ccccc4Cl)=O	453
+c1ccccc1-c2c3nc(C(=O)OCC)cn3cc(c2)Br	1805
+c1ccccc1C=C2CCCc3c2nc(c(c3)C(=O)OCC)C	10601
+c1(C)nc2c(cc(cc2N)Br)n1C	13
+C(C)(c1cc2c(nc1Cl)c(F)ccc2)O	652
+c1(c(O)nc2c(cc(OC)c(OC)c2)c1)C(O)=O	1
+C1COCCN1c2ccc(cc2)Nc3nc4c(c(n[nH]4)SC)c(n3)OCC	55
+c1ccccc1COC(NCC2CN(CCC2)CCN3c4cc(OC)cnc4C=CC3=O)=O	61
+c1cc(ccc1)C(N2c3cc(I)cnc3NCC2)=O	4593
+c12ccccc1cc(cn2)CO	269
+s1c2c(nccc2Cl)cc1-c3ccc(CN4CCCC4=O)cn3	4838
+n1(c2ncccc2nc1)Cc3ccc4nc(SC)sc4c3	5023
+c1ccccc1-c2c(Cl)nc3c(nccc3)n2	696
+s1c2cc(ccc2cc1CO)Oc3sc4c(nccc4)n3	10602
+c12nn(C)cc1c(ccc2)C3C(C=O)C3	24
+c12nn(C)cc1c(ccc2)C3C(CN)C3	10603
+c12nnc3CCCCc3c1c(N)c(C(O)=O)s2	1
+c1ccccc1-n2nncc2COc3c4c(cc(OC)c3)oc(-c5cn6c(n5)sc(n6)OC)c4	10604
+c1cc(ccc1)COc2cc(ccc2)COc3c4c(oc(-c5cn6c(n5)sc(n6)OC)c4)cc(OC)c3	657
+c1cc(ccc1)-c2scc(n2)COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC	1963
+c1nc(ncc1)-c2cccc(COc3c4c(oc(-c5cn6c(n5)sc(n6)OC)c4)cc(OC)c3)c2	657
+c1ccccc1CC(NC(=O)Cc2c3c(ccc(O)c3)[nH]c2)c4n(Cc5ccccc5OC)ccn4	9
+C(OCCCc1c[nH]c2c1c(C)c(cc2)[N+]([O-])=O)C	21
+c1[nH]c2c(c1CCCO)cc([N+]([O-])=O)cc2	44
+c1[nH]c2c(c1CCCO)c(c(N)cc2)C	0
+c1cc(ccc1C)S(=O)(=O)OCCCc2c[nH]c3ccc(cc23)F	36
+c1[nH]c2c(c1CCNC(C)=O)cc(N)cc2	0
+c1[nH]c2c(cc(C#N)cc2)c1CC(=O)O	4
+c1cc(ccc1C)S(=O)(=O)OCCCCc2c3c(ccc(C#N)c3)[nH]c2	36
+c1[nH]c2c(c1CN(C)C=O)ccc(C)c2	10605
+c1ccccc1COC(c2c3c([nH]c2)cccc3)=O	470
+C1(c2c[nH]c3c2cccc3)(CCc4cc(ccc14)F)CC	1263
+c1ccc(C(c2c3ccccc3[nH]c2)=O)cc1[N+]([O-])=O	787
+c1cc(ccc1-n2ccc3ccccc23)OC	2787
+c1cc(ccc1C(c2c[nH]c3c2cccc3)=O)OC	787
+c1cc(ccc1)-c2nc3c(c(-n4ccc5ccccc45)c2)cccc3	5004
+c1c2c(-c3ccnc(n3)Cl)c[nH]c2ccc1	4678
+c1[nH]c2cnc(cc2c1CCC(=O)O)-n3ncnc3	3
+c1[nH]cc(c1-c2c(c(Cl)ccc2)Cl)C(N)=S	2547
+c1n(cc(-c2ccccc2Cl)c1C(=O)O)-c3ccnc(Cl)c3	6
+n1sc(c(C(=O)O)c1-c2cc(C)ccc2)C(=O)OC	1
+c1c(-c2cc(CO)ccc2)csc1	59
+c1c(-c2cc(F)c(cc2)C#N)nc(N)nc1N3CC(C(=O)Nc4cccc(c4)F)CCC3	33
+n1coc(-c2cc(cc(-c3ocnc3)c2)N)c1	0
+c1c(-c2cc3nc(C)c(C(=O)C(OC)=O)c(Cl)n3n2)cc4CCCCc4c1	10606
+c1c(-c2cc3n(c(Cl)c(c(C)n3)C(O)C(=O)OC)n2)cc4CCCCc4c1	10607
+c1c(-c2cc3n(c(Cl)c(c(C)n3)C(O)C(=O)OC)n2)cc4CCCCc4c1	4612
+c1c(-c2ccc3OCOc3c2)ccc4C5C(=O)N(c6ncccc6)N=C5CCc14	2472
+C1CCNCC1c2cc(C)c(cc2C)N	1446
+c1c(-c2cncc(c2C(O)=O)Nc3ccc(I)cc3F)c(ccc1)Cl	1
+c1(-c2ccc(c(OCC)c2)OCC)onc(n1)-c3c4CCNc4ccc3	931
+c1cc(C(=O)OC)cc2OCC(NCc12)C	2983
+c1cc(Cl)c(Br)cc1CO	217
+C1CN(CCC1(C#Cc2ccc(F)c(C#N)c2F)O)C(=O)Cc3ccc(cc3)-n4nnnc4	197
+c1cc(ccc1)Oc2c(cc(cc2)C#N)Br	46
+C(C)c1ccc(F)c(Br)c1	165
+c1c(C(=O)O)cc(F)c(OC)c1Br	1
+C(C)N(CC)C(=O)c1ccc(cc1)C(O)c2ccccc2OC	257
+c1c(Br)c(Oc2cc(ccc2N)C#N)ccc1	0
+c1ccccc1CSc2cccc(c2C)Br	607
+c1c(Br)c(c(cc1-c2nc(C(OCC)=O)on2)Br)OCc3ccc(cc3)OC	139
+c1(cc(cc(Br)c1Oc2cc(C(C)C)c(cc2)O)CO)Br	49
+c1(cc(cc(Br)c1Oc2cc(c(c(c2)C=Cc3ccccc3)O)C(C)C)CC(O)C(OC)=O)Br	914
+c1c(Br)c(c(cc1CC(O)C(OC)=O)Br)Oc2cc(C(C)C)c(c(I)c2)O	5
+c1c(Br)c(c(cc1CP(O)(O)=O)Br)Oc2cc(C(C)C)c(cc2)O	228
+c1ccccc1CSc2c(OC)c(cc(F)c2)Br	607
+O(c1cc2N(c3c(Cl)cccc3)C(=O)CCc2c(c1)Br)C	2331
+c1c(Br)c(cc(O)c1F)CC(=O)O	5
+c1c(Br)c(ccc1)OC(C(=O)O)CCC	3
+c1(Br)ccc(c(N)c1)NC(CCCCCCC(=O)OC)=O	0
+Brc1cc(cc(Br)c1)NC(=S)NC(=O)c2ccccc2	865
+c1c(Br)cc2CC(N)COc2c1	157
+c1c(Br)cc2CCC(N)Cc2c1	733
+c1cc(ccc1C#N)-c2ccc3c(CCC(C3)=O)c2	11
+c1c(Br)cc2CCCNCc2c1	15
+c1ccccc1COC(NC2Cc3c(cc(cc3)Br)CC2)=O	101
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(C(c5ccc6cc(C(NC)=O)ccc6c5)O)nc4	5030
+c1cc(ccc1S(=O)(=O)n2cnc(c2)C(O)c3cc4ccc(C(NC)=O)cc4cc3)C	5030
+c1c(Br)ccc2cc(C#N)ccc12	274
+c1cc(ccc1-c2cc3c(cc2)cc(OC)cc3)OC	10608
+C(=O)(O)C(Oc1ccc2ccc(cc2c1)Br)CC	4
+c1c(Br)nc(cc1)C(CCCC)=O	955
+c1cccn1-c2nc(ccc2)C(Nc3c(C(N)=O)nn(C)c3)=O	10609
+O=C1c2c(C(=O)N1CCC#Cc3cccc(n3)CF)cccc2	769
+c1cc(ccc1)C(NC(Nc2cccc(n2)Br)=S)=O	1780
+c1cc(ccc1C#Cc2cccc(N)n2)C(OCC)=O	943
+c1c(Br)nc(cc1NC(N)=S)Br	401
+Nc1sc2c(cc(nc2Br)Br)n1	3928
+c1cc(ccc1S(=O)(=O)c2cc(Br)nc(c2)Br)N	0
+c1cc(ccc1)C#Cc2cnc(cn2)Br	5031
+c1(cc(C#N)c(C)cc1N)O	0
+N#CC1CN(c2ncnc3cc(Cl)c(cc23)C#N)CCN1C(C=C)=O	143
+Nc1cc(C(=O)OC)c(cc1C#N)C	0
+c1cc(ccc1Cl)Oc2cc(C#N)ccc2	46
+C=1(C(=O)O)CCCC=1c2cc(ccc2)C#N	127
+c1cnccc1COc2cccc(c2)C#N	139
+c1ccc(OCc2nc3c(cccc3)cc2)cc1COc4cc(ccc4)C#N	139
+c1c(C#N)nc2c(c1)cc(N)cc2	0
+c1c(C(=O)C)c(O)c(c(c1Cl)OCCOCCOc2c(C(C)=O)ccc(OCC(=O)O)c2CCC)CCC	3
+c1cc(ccc1)COc2cc(cc(OCc3ccccc3)c2)C(=O)CC(=O)c4ccc(cc4O)O	10610
+c1c(NC(c2cc(ccc2)C#N)=O)c(ccc1)[N+]([O-])=O	50
+c1(c2c(c(C)cc(c2)Br)nc(-c3cnccc3)n1)O	4845
+c1c(CO)c(c(cc1)O)C	49
+c1ccccc1COc2cccc(c2C)C(O)=O	22
+c1c(cc(cc1CO)Br)O	611
+c1(C(=O)O)cc(N)cc(N2CCCC2=O)c1	0
+c1ccccc1CNC(=O)c2ccc(C)c(NC(=O)c3cc4c(nc3O)cc(c(OC)c4)OC)c2	14
+Oc1c(cccc1)NC(c2ccc(C)c(c2)OC)=O	67
+n1cc(cc(NC(c2cc(OC)c(C)cc2)=O)c1)Br	487
+c1c2c(nc(-c3ccc(O)c(c3)OC)o2)ccc1	1328
+c1(CO)cccc(-c2c3c(ccc2N)cccc3)c1	49
+O=C1Nc2nc(ccc2SC1)CO	629
+c1c(OC)c2ccsc2c(F)c1	1539
+c1c(C(=O)OC)c(c(c2n1c(cn2)CC)F)Nc3c(F)cc(C)cc3	10611
+CC(=O)c1c2c(n(c1CCC)Cc3ccccc3Cl)cc(C(=O)O)cc2	1
+c1c(c(ccc1)OC)-c2ccc(cc2C)C(=O)O	1
+S(C)CCCc1cc(CO)nc(c1)C(=O)OC	398
+c1cc(ccc1)OC(c2nnc(cc2)C(=O)OC)C	20
+c1c(C(=O)OC)nnc(O)c1	104
+c1c(C(=O)O)sc2c(F)ccc(OC)c12	1
+c1cc(ccc1)COc2cc(nc(c2)CO)C(=O)OCC	194
+c1c(C(=O)OC)nnc(C(C)O)c1	1394
+c1(ccc(N)c(N)c1)C(C)C(=O)OCC	0
+c1c(C(C2CC2C(=O)O)=O)cc(c3OCCCc13)Cl	4
+c1(O)c([N+]([O-])=O)cc(C(CBr)=O)cc1O	5
+c1c(C(CCCCCl)=O)cc(N)c2OCCc12	0
+c1(cccc(c1)F)C(=O)Nc2ccc(F)c(C(c3ccc4c(c3)nccn4)=O)c2	50
+c1cc(ccc1F)NC(=O)c2ccc(Br)nc2	971
+O(C(=O)CCCc1ccccc1NC(c2ccc(Cl)c(Br)c2)=O)C	50
+O(C)c1ccccc1NC(c2ccc(Cl)c(Br)c2)=O	50
+c1cc(ccc1)-c2cc3c(c(c2)Cl)[nH]c(C(NCc4sccc4)=O)c3	11
+c12c(cccc1)cccc2Cc3cc(ccc3OC)Br	452
+c1(Cl)cccc(Cl)c1NC(=S)Nc2c(cnc(c2)C(OC)=O)N	773
+C1(N)=C(c2cc(C)c(C)cc2N(C)C1=O)c3ccccc3Cl	10612
+c1c(C)c(c(cc1)C)-c2cc(COc3ccc4c(ccn4CC(=O)O)c3)ccc2	3
+c1c(C)c(c(cc1)C)-c2nc(O)c(c(C)n2)COc3c(C)ccc(c3)C(C)C	104
+c1c(C)c(c(cc1)C)-c2nc(COc3cc4CC5C(C5c4cn3)C(O)=O)c(F)cc2	3
+c1c(C)c(c(cc1)C)COc2cccc(C(C(=O)O)CC)c2	3
+c1c(C)c(c(cc1)C)COc2c(F)ccc(C(O)=O)c2	6
+c1c(C)c(c(cc1)C)COc2cccc(C(C(O)=O)C)c2	3
+c1cc(ccc1)COC(=O)CN(CC2CCCCC2)C(=O)c3cc4c(cc3NC(=O)Nc5c(cccc5C)C)cccc4	124
+c1cc(ccc1C(c2cc(C)c(c(c2)C)O)=O)[N+](=O)[O-]	222
+c1c(C)c(c(cc1)C)Oc2c(cc3nc(nc(c3c2)N)-n4ncc(C(=O)O)c4)F	6
+c1(C)cc(cc(C)c1O)-c2[nH]c3c(cccc3)c2C	5
+c1ccccc1COC(=O)c2ccc(cc2)-c3cc(C)c(c(c3)C)OCCO	470
+c1c(C)c(c(cc1-c2nc3c(cc(cc3)N)c(O)n2)C)O	0
+C(O)C(CO)COc1c(C)cc(cc1C)-c2nc(on2)-c3sc(C)c4C5C(Cc34)C5(C)C	1192
+Cc1cc(cc(C)c1O)-c2nc3cnc(nc3o2)Cl	5
+c1c(C)c(c(cc1Br)C)OCc2ccccc2	22
+Cc1cc(cc(C)c1OC)CO	98
+c1(cc(cc(C)c1OCC(=O)O)C(c2sccc2)=O)C	3
+c1cc(ccc1OP(c2ccccc2)(=O)C(c3c(cc(cc3C)C)C)=O)OC	10613
+Cc1cc(cc(C)c1C2=C(O)C3(CCN(CC3)OCC)NC2=O)C	997
+c1(cc(cc(C)c1N=C2N(C(N(C)C(=C2)c3ccc(O)c(OC)c3)=O)C)C)C	5
+c1c(C)c(c(cc1C)C)NC(Nc2cc(-c3cc(c(cc3)OC)F)ccc2C(NC(C(=O)O)C4CCCCC4)=O)=O	4
+Cc1cc(cc(C)c1Nc2sc3c(n2)cccc3CO)C	2705
+Cc1cc(cc(C)c1Oc2c(c(NC(CC)CC)cc(C)n2)N)C	13
+c1ccccc1-c2cc(C(=O)CCc3cc(C)c(c(C)c3)O)sc2C	5032
+c1cc(ccc1)-c2cc(C(=O)CCc3cc(C)c(c(C)c3)O)sc2CC	5032
+O=S(=O)(C)c1ccc2C(N(c3ccc(cc3)C(CC)C)C(=Nc2c1)c4cc(C)c(c(C)c4)OCCO)=O	10614
+CC(C)(C(=O)OC)Cc1cc(C)c(c(C)c1)-c2[nH]c3ccc(cc3n2)-c4oc(-c5ccccc5C)nn4	10615
+c1c(C)c(c(cc1CC(C)(C)C(=O)OC)C)C=O	494
+c1c(C)c(c(cc1CC(C)(C)C(=O)OC)C)-c2[nH]c3c(cc(cc3)C(O)=O)n2	622
+c1(cc(cc(C)c1Cc2ccc(c(c2)C(C)C)OCOC)C=O)C	39
+c1(C)cc(cc(C)c1-c2csc(n2)N)N	106
+Cc1cc(cc(C)c1C=O)OCc2ccccc2	22
+c1(cc(cc(C)c1-c2cc(COc3ccc(cc3)C=CC(=O)OC)ccc2)OCCOCC)C	20
+C1CCC(C1)CC(=O)Nc2c(C)cc(cc2C)N	0
+c1(cc(cc(C)c1NC(=O)OCCC)N)C	0
+c1cc(ccc1)C(=O)COc2ccc(cc2C)CC(N)=O	702
+c1(C=O)cc(C)c(cc1)[N+]([O-])=O	39
+C(=O)(CN1c2nccc(C)c2-n3c(ccc3)C1=O)O	4
+C1C(CC1)(C(=O)N2CCC(Nc3cc(c4cc(OC)ccc4n3)C)C2)c5ccc(cc5)Cl	10
+Clc1cc([N+]([O-])=O)cc(C)c1	480
+c1cc(ccc1S(=O)(=O)Nc2cc(cc([N+](=O)[O-])c2N)C)C	69
+c1cc(ccc1)C#Cc2c(N)c([N+](=O)[O-])cc(C)c2	129
+c1c(c2C(c3c(cccc3C)-c2cc1C)=O)C	358
+c1c(C)cc(cc1CC(N2CCC2(C)C(=O)O)=O)C	3
+c1(C)cc(cc(C)c1)CC(N2CCC2(C)C(N(Cc3ccc(cc3)C)C)=O)=O	10
+Cc1cc(cc(C)c1)-c2c(nc3cc(c(cc3c2O)[N+](=O)[O-])Cl)O	4781
+Cc1cc(cc(C)c1)Nc2c(c(ccc2)C#N)N	0
+c1c(C)cc(cc1OCC(C)N)C	733
+c1c(C)ccc(-c2c(Cl)ccc(N)c2)n1	0
+n1cc(cnc1C)C(NC(=O)c2cc(-c3ncc(C)cc3)cc(OC)c2)C	14
+c1c(C)ccc(-c2cc(OC)cc(C(=O)O)c2)n1	1
+c1c(C)ccc(-c2cc(cc(C(=O)O)c2)Br)n1	1
+c1cc(ccc1)-c2ccc(C)cn2	119
+c1cc(ccc1Cl)Oc2ncc(cc2)C	1237
+c1c(C)nc(-c2nn3c(c2-c4c5ccc(C(=O)O)cc5ncc4)CCC3)cc1	6
+c1c(C)nc(-c2nn3c(c2-c4cc5n(CCCO)cnc5cc4)CCC3)cc1	168
+c12c(cccc1)C(=O)N(C2=O)CCc3cccc(C)n3	332
+c1cc(ccc1F)C(Cc2nc(ccc2)Cl)=O	1501
+n1c(C)cccc1-c2cc(OCC)cc(C)n2	174
+n1c(C)cccc1-c2cc(OCCO)cc(C)n2	174
+c1ccccc1-c2cc(nc3cc(C)nn23)N	2057
+c1ccccc1CN2C(N(CC2)c3sc(c(n3)C)C(=O)NCc4ccc(C)o4)=O	454
+c1c(C)oc(c1)CNc2ccc3c(cccc3CO)n2	41
+c1c(C)oc(c1)CNc2ccc3c(cccc3CN)n2	107
+c1cc(ccc1C(NCc2c3c(nc(cc3)NCc4oc(C)cc4)ccc2)=O)F	93
+c1c2c(C(c3c(O)cc4c(CCO4)c3)C(N2CCCCC)=O)ccc1	462
+Nc1cccnc1Nc2cc(ccc2)C=Cc3cnccc3	13
+c1cc(ccc1OCc2cc(O)ccc2)CC(C#N)C(OC)=O	22
+c1c(c([N+]([O-])=O)c(F)cc1)CC(=O)O	4
+C1(Nc2cc(ccc2OC1)CC(OC)=O)=O	1290
+c1(ccccc1F)-c2c(cccc2)CC(=O)O	3
+c1ccccc1Oc2cccc(c2[N+](=O)[O-])CC(=O)OCC	415
+c1c(c(c(N)cc1)Br)CC	0
+O=C(O)c1cccc(c1O)CC=2C(=O)C(OC)=C(C(=O)C=2C)OC	173
+c1cc(ccc1NC(CCc2cc3c(OCO3)cc2)=O)C(=O)OC	33
+c1c(CCC(=O)O)c2c(cc1)COB2O	3
+c1c(OCC)c(ccc1)-c2nc(O)c3nccc(CCC)c3n2	10616
+c1cc(ccc1C#Cc2cc(CCCC#N)c(F)cc2)OC(F)F	129
+Nc1c(cc(CO)cc1CCCC)F	98
+c1c(c([N+]([O-])=O)ccc1)CCN	18
+c1cc(ccc1C)S(=O)(=O)OCCc2cccc(C)c2[N+]([O-])=O	36
+c1cc(ccc1OC)C(c2ccc(cc2)OC)(OCc3cc(cc(CN=[N+]=[N-])c3)CF)c4ccccc4	604
+c1c(c(c(N)cc1)C)CNCC	0
+O=Cc1c(F)c(I)ccc1	39
+c1ccccc1-c2cccc(CO)c2C	11
+C(COc1c(Cl)cccc1C=O)C	39
+c1cc(ccc1)N(c2ccccc2)C(=O)OCc3c(Cl)c(OCC(=O)OC)ccc3	2469
+c1cc(ccc1)CN(CC(=O)c2ccc(c(CO)c2)O)CCCCCCOCCCCCCc3ccccn3	676
+c1ccccc1CN(CCCCCCOCCCc2ccccn2)CC(c3ccc(O)c(CO)c3)=O	676
+c1cc(ccc1S(=O)(=O)OCc2cc(c(F)cc2)Cl)C	36
+O(c1cccc(CO)c1)c2ncc(C)cc2	1605
+c1(nc2c(cn1)cccc2)COc3cc(CO)ccc3	2818
+c1cc(ccc1COc2ccc(c(COCOC)c2)Br)C#N	22
+c1cc(ccc1)CNc2c(O)nc3c(c(NC(C)CO)nc(n3)SCc4c(c(F)ccc4)F)n2	10617
+c1c(Cc2cccc(c2)C(O)=O)cc(F)cc1	1
+c1ccccc1-c2n3ccccc3c(C(=O)OC)c2Cc4cccc(F)c4C	10618
+c1cc(ccc1OC)COc2c3c(ncnc3ccc2)Nc4cc(c(OCc5cc(F)ccc5)cc4)Cl	1111
+Nc1c(N)c(Br)c(c(Cl)c1)Cl	0
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4ccc5OC(=CC(c5c4)=O)C(O)=O	108
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4cc5c(cc4)c(ccn5)C(=O)O	1
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4ccc5c(c4)cc(C(O)=O)cc5	1
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)Sc4cccc5sc(cc45)C(=O)O	1
+c1c(Cl)c(c(cc1)Cl)-c2c(c(on2)C(C)C)COc3cc4ccc(cc4cc3)-c5ccc(C(O)=O)cn5	1
+Clc1cccc(Cl)c1C(NC(Cc2cc3c(nc(cc3)-c4c(cccc4Cl)Cl)cc2)C(O)=O)=O	4
+c1(cccc(Cl)c1-n2ncc(C(C)C)c2C(O)=O)Cl	1
+c1c(Cl)c(c(cc1)Cl)C(=O)Nc2ccc(cc2)CC(C(OC)=O)NC(c3c(cccc3Cl)C)=S	50
+c1(Cl)cccc(Cl)c1C(=O)NC(Cc2ccc(cc2)O)C(OC)=O	946
+c1nc(ncc1NC(c2c(cccc2Cl)Cl)=O)Nc3cnccc3	3097
+c1c(Cl)c(c(cc1)Cl)C(=O)Nc2ccc(cc2)CC(NC(=S)c3c(C)cccc3Cl)C(=O)O	4
+c1cc(ccc1NC(=O)c2c(cccc2Cl)Cl)CC(NC(=S)C3(CCCC3)CCCCS(=O)(=O)C)C(=O)O	4
+c1c(Cl)c(c(cc1)Cl)Cc2n(Cc3ccc(cc3)C(=O)OC)c4ccccc4n2	505
+c1c(Cl)c(c(cc1)Cl)Cc2n(Cc3ccc(cc3)C(O)=O)c4ccccc4n2	1
+CC(C)c1onc(Cc2c(cccc2Cl)Cl)c1COC	1043
+c1cc(ccc1)OC(Nc2ccc3c(n(Cc4c(cccc4Cl)Cl)cc3)c2)=O	90
+c1cc(ccc1Nc2nc3-n4c(N(C(=O)c3cn2)c5c(cccc5Cl)Cl)ncc4)C(O)=O	1
+c1ccccc1NC(c2ccc3nc([nH]c3c2)Nc4c(cccc4Cl)Cl)=O	1701
+c1c(Cl)c(c(cc1)Cl)NC(=O)Nc2cc3ccccc3cc2C(=O)N(CCC(=O)O)Cc4ccccc4	3
+c1c(Cl)c(c(cc1)Cl)S(=O)(=O)N(C)CCCCC(=O)O	3
+c1c(Cl)c(c(cc1)Cl)SCc2noc(C(C)C)c2CO	88
+Clc1cccc(Cl)c1SCc2noc(c2COc3ccc(cc3)-c4ccc5c(ccc(n5)C(=O)OCC)c4)C(C)C	20
+c1(cc(cc(Cl)c1C(=O)O)-c2nnn[nH]2)Cl	1
+c1cc(ccc1-c2cc(Cl)c(c(c2)Cl)CN3CCC4(CCCCC4)C3=O)F	11
+c1(cncc(F)c1NC(c2c(Cl)cc(cc2Cl)C#N)=O)F	50
+c1(cc(cc(Cl)c1)C(=O)C)Cl	480
+c1(Cl)cc(cc(Cl)c1N)C(CN(Cc2ccccc2)CCCOCCOCCCOc3ccccc3)O	4754
+c1(Cl)cc(cc(Cl)c1OCCCCCCCCCCCC)C(=O)O	1
+c1c(Cl)c(c(cc1-c2oc(nn2)C(=O)OCC)Cl)O	10619
+c1cc(ccc1CC(C#N)c2ccc(cc2)Br)OCCOc3c(cc(cc3Cl)C)Cl	10620
+c1c(Cl)c(c(cc1CCO)Cl)O	95
+c1(Cl)cc(cc(Cl)c1Oc2cc3c(C(C)C)c[nH]c3cc2)CBr	10621
+c1(Cl)cc(cc(Cl)c1CCC=O)Cl	378
+Clc1cc(cc(Cl)c1C2CC2)N=C=S	1034
+c1(Cl)cc(cc(Cl)c1C=O)OCc2ccccc2	22
+c1cc(ccc1C2(OCCO2)CCCOc3c(cc(cc3Cl)OCC=C(Cl)Cl)Cl)F	72
+Clc1cc(cc(Cl)c1C#N)N	0
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)[N+]([O-])=O	815
+O=S(=O)(c1cc(ccc1O)Oc2c(cc(cc2Cl)N)Cl)CC3CC3	0
+C1CCC1NS(=O)(=O)c2c(ccc(c2)Oc3c(cc(cc3Cl)N)Cl)O	0
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(c(c2)C(C)C)O	5
+O=S(=O)(c1ccc(cc1)F)c2c(O)ccc(Oc3c(cc(cc3Cl)N)Cl)c2	0
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2cc(c(cc2)O)S(=O)(=O)CC3CC3	5
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2cc(c(cc2)O)S(=O)(=O)NC3CCC3	5
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(O)c(S(=O)(=O)c3ccc(cc3)F)c2	5
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(c(c2)S(=O)(=O)c3ccc(cc3)F)OC	2290
+c1c(Cl)c(c(cn1)Cl)C#N	274
+c1cc(ccc1COc2c(cc(C(=O)OC)c(O)c2)Cl)OC	139
+c1c(Cl)c(C2=C(N=C3N(C(C)=CS3)C2=O)C(N)C)ccc1	1426
+c1cc(ccc1)COc2c(Oc3c(Cl)cc(Cl)cc3)cc(Br)c(Cl)c2	22
+c1cc(c(c2c1NC(C2=O)=O)Cl)C(=O)O	1418
+c1cc(ccc1)OC(=O)Nc2c3cc(ccc3c(Cl)cc2Cl)OC(=O)C	90
+Clc1cc(cc(Cl)c1)C#CC(=O)c2cc3c(cc(OC)cc3)nc2	10622
+c1(Cl)cc(cc(Cl)c1)C(O)C2(CCCCC2)N	157
+c1(cc(cc(Cl)c1)C(=O)C=2NC(NC(C=2CC)=O)=O)Cl	3272
+c1c(Cl)cc(cc1CCCO)Cl	21
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)Cl	14
+c1(cc(cc(Cl)c1)NCc2c(ccc(Br)c2)O)Cl	10623
+c1c(Cl)cc(cc1Sc2ccc(N)c(n2)C#N)Cl	13
+c1cc(ccc1[N+](=O)[O-])NC(=O)N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2	326
+C(c1c(C)ccc(Cl)n1)(=O)O	1
+c1c(N)cc(cc1)C(C)Nc2nc(Cl)cnc2	464
+c1cc(ccc1Oc2ncnc(SC)c2)[N+]([O-])=O	185
+c1cc(ccc1Cl)C2c3n(C(C)C)c(nc3C(=O)N2c4nn5c(c(C)c4)nnc5C)C	10624
+c1ccccc1Cc2n(-c3c(cccc3)F)nnc2-c4nc(no4)-c5ccccc5F	10625
+CC(c1c(F)cccc1)O	74
+c1cc(ccc1NC(=O)c2c(cccc2)F)C(=O)OC	50
+c1cc(ccc1Nc2c(c(Cl)nc(C)n2)NC(=O)c3c(cccc3)F)Cl	3097
+c1cc(ccc1C(=O)c2c(cc(cc2)F)F)OC	222
+c1cc(ccc1NC(=O)c2c(F)cc(F)cc2)C(=O)N3Cc4c(Cc5ccccc35)cccc4	50
+c1cc(ccc1F)-c2c(ncnc2N)N3CC(CC3)(N)CNC(=O)c4c(F)cc(cc4)F	537
+c1c(F)c(C(NCC2(CN(c3c(c(ncn3)N)Br)CC2)N)=O)ccc1F	54
+c1c(F)c(F)cc2c1nc(C=Cc3cccc(C(CCc4ccccc4Cl)O)c3)cc2	74
+c1c(F)c(F)cc2c1nc(C=Cc3cc(ccc3)C(CCc4ccccc4Cl)=O)cc2	4578
+c1cc(ccc1-c2ccc3C(=O)N(Cc3c2)C(C(OC)=O)C(C)C)NC(=S)Nc4c(cccc4)F	773
+c1ccccc1CNc2c(F)cc(c(NC)n2)F	182
+c1c(F)c(c(cc1)F)-c2ccc(C(=O)N)c3[nH]c4CC(CCc4c23)C(C)O	100
+c1c(F)c(c(cc1)F)-c2nc3c(cn(S(=O)(=O)c4ccc(cc4)C)c3cc2)I	10626
+c1c(F)c(c(cc1)F)-c2noc(C)c2C(O)=O	1
+Fc1cccc(F)c1-c2c(cc(cc2)F)C#N	11
+Fc1cccc(F)c1-c2nc(ccc2)-c3cc4c(OCc5ccccc5)ccnc4cc3	119
+c1cc(ccc1)Nc2cccc(c2C#N)F	275
+c1c(F)c(c(cc1)F)C(Nc2c(C(O)=O)[nH]nc2)=O	6
+c1(F)cccc(F)c1C(Nc2cn(Cc3c(OCc4ccccc4)cc(cc3)Cl)nc2)=O	309
+c1c(F)c(c(cc1)F)C(Nc2cn[nH]c2-c3nc4c([nH]3)ccc(c4)C=O)=O	39
+c1cc(ccc1-c2cn3c(C(N(C(N3Cc4c(F)cccc4F)=O)c5c(c(ccc5)OC)F)=O)c2C)[N+](=O)[O-]	10627
+c1c(F)c(c(cc1)F)COc2nc(C)cn3c(c(nc23)C)C(O)=O	6
+c1c(F)c(c(cc1)F)N2C=C(C(O)=O)C=CC2=O	127
+c1c(F)c(c(cc1N)F)C2=CCSCC2	10628
+c1c(F)c(c(cc1Br)F)CO	49
+c1c(F)c(c(cc1Br)F)N=C(CC(=O)c2ccc(cc2)F)N	10629
+c1ccccc1COC2CC(Oc3c(cc(cc3F)Br)F)CCC2	20
+c1(cc(cc(F)c1O)C(C)=O)F	5
+Fc1cc(cc(F)c1OCC#C)C(=O)O	1
+Fc1cc(cc(F)c1SC)C#N	1308
+c1(F)cc(cc(F)c1OC(C)C)CO	41
+c1(F)cc(cc(F)c1[N+](=O)[O-])C	4862
+c1cc(ccc1S(=O)(=O)Nc2c(F)cc(cc2F)F)C(=O)OC	69
+c1cc(ccc1S(=O)(=O)n2cc(c3c(ccnc23)Oc4c(cc(cc4F)NC(=O)C)F)Br)C	276
+c1(F)cc(cc(F)c1CC(=O)N2CCC2)OCCC3C(C4CCN(CC4)c5ncc(cn5)CC)C3	20
+Fc1cc(cc(F)c1C#N)O	5
+c1cc(ccn1)Nc2nc(ncc2OC)-c3nn(Cc4c(cc(cc4F)OCC)F)c5c3CCC5	3787
+c1c(F)c(c(cc1OCCC(C)C)F)-c2c(C(O)c3ccc(cc3Cl)F)c(nn2C)C	10630
+C1(=CC(=O)n2c(N1)c(cn2)-c3ncc(C)o3)c4cc(c(F)cc4)OCC	1915
+c1cc(ccc1Cl)-c2nc3c([nH]2)cc(F)c(c3)F	1127
+c1ccccc1Cc2c(C(=O)OC)nnn2-c3ccccc3F	10631
+c1ccccc1COc2c(C#N)ccc(F)c2	57
+c1c(F)c(ccc1F)C(C(C)c2ccc(nc2)C#N)(Cn3ncnc3)O	10632
+c1c(F)c(ccc1F)C(C(C)c2cc(C#N)ncc2)(Cn3ncnc3)O	1303
+c1c(F)c(ccc1F)C(C(C)c2nc(ccc2)C#N)(Cn3ncnc3)O	1304
+c1cnccc1C(c2ccc(cc2F)F)=O	358
+c1(F)cc(cc(F)c1)-c2c(cc(Cl)c(C#N)n2)C(OC)=O	140
+c1c(F)cc(cc1C2NC(COC2)=O)F	467
+C1CC(CCO1)c2cc(F)cc(c2)F	191
+c1(cc(cc(F)c1)C2(SCCCS2)C(c3ccc(cc3)OC(F)F)O)F	3077
+c1cc(ccc1)C2=NC(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4ccccc24)C	207
+c1cnccc1C2NC(=O)C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)c4ccccc24	207
+c1cc(ccc1)C2C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4c(cccc4)O2)CC#C	207
+c1c(F)cc(cc1CC(=O)NC(C(=O)O)C)F	4
+Fc1cc(cc(F)c1)CC(N)C(C2N(Cc3ccc(cc3)OC)Cc4c(cccc4)C2)O	886
+C1CN(CCN1C)c2ccc(c(N)c2)C(Nc3[nH]nc4c3cc(cc4)Cc5cc(F)cc(c5)F)=O	0
+c1cc(Oc2cccc(c2)F)ncc1Br	1237
+c1cc(ccc1C(O)c2cccnc2F)F	2988
+O(c1c(C(=O)O)c(I)ccn1)C	1
+c1cc(ccc1F)-c2ccc(cc2F)CCc3cc4ccccc4cc3	10633
+O=C1c2c(C(=O)N1CCOc3cc(ncc3)Oc4c(cc(Cl)c(c4)Cl)I)cccc2	332
+c1cc(ccc1Br)Sc2c(Cl)cccc2	826
+c1ccccc1-c2ccc(cc2)-c3c4[nH]ccc4cc(c3)[N+]([O-])=O	10634
+c1(F)c(cc(cc1)C#Cc2cc(C#N)cnc2)CO	129
+c1cnc(o1)-c2cc(Cl)c(C)cc2	4776
+c1c(I)cc(cc1Br)O	5
+n1cc(cc(C#N)c1)C#Cc2cc(c(F)cc2)O	129
+c1ccn(c1)-c2cc(cc(Nc3ccc(I)cc3[N+](=O)[O-])c2)NC(C)=O	275
+c1c(I)cc(c(NC2=CC(=O)N(C)C=C2C(=O)O)c1)F	108
+c1c(I)cc(c(NC2=CC(=O)N(C=C2N)C)c1)F	10635
+c1c(I)cc(c(Nc2c(ccc3cncn23)C(=O)O)c1)F	1
+c1c(I)cc(c(Nc2c(F)c3nnsc3cc2C(=O)O)c1)F	1
+c1c(I)cc(c(Nc2c(ncc3cncn23)C(=O)OC)c1)F	5033
+c1c(I)cc(c(Nc2c3cnsc3ccc2C(NOCCO)=O)c1)F	1000
+c1ccccc1COc2c(C=O)ccc(I)c2	22
+c1ccccc1COCCCC2(CC2)S(=O)(=O)NC=3C(Nc4c(F)cc(I)cc4)=C(C(N5CCOC=35)=O)C	4945
+c1c(I)cc(c(c1)NC2=C(C(N3C(OCC3)=C2N)=O)C)F	10636
+c1c(I)cc(c(c1)NC=2C(N)=C3SCCN3C(C=2C)=O)F	10637
+c1ccccc1COC2CC(C2)S(=O)(=O)NC=3C(=C(C(=O)N4CCSC=34)C)Nc5ccc(I)cc5F	10638
+c1cc(ccc1COc2cc(I)cc(Br)c2)OC	139
+c1c(I)cc2c([nH]nc2C=O)c1	2231
+c1([nH]c2c(cccc2)n1)-c3n[nH]c4c3cc(I)cc4	567
+c1ccccc1OCc2cc3c(ccc(c3)I)o2	4701
+Nc1c(N)c(C)c(cc1)[N+]([O-])=O	0
+c1c(N)c(cc(Br)c1Br)N	0
+c1cnccc1SCC(Nc2cccc(c2)-c3n4ncc(C(c5sccc5)=O)c4ncc3)=O	33
+c1ccccc1CNC(Nc2cccc(-c3cnc(N)c(n3)C(=O)NC)c2)=O	406
+c1cc(ccc1)C(=O)NC(Nc2cc(ccc2)-c3nccc(OC)c3)=S	865
+c1ccccc1COC(Nc2cccc(C(O)CO)c2)=O	90
+c1c(N)cc(Cc2n(CC)ccc2)cc1	3156
+c1cc(ccc1Nc2ncnc(Nc3cccc(c3)C)c2)O	73
+c1cc(ccc1OCCCCCCCCCCCCCC)C(=O)Nc2cccc(CO)c2	50
+c1cc(ccc1OCCCCCCCCCCCCCC)CC(=O)Nc2cccc(CO)c2	26
+c1c2c(ccc1OCCCCl)c(Nc3cc([nH]n3)CC(Nc4cccc(c4)F)=O)ncn2	33
+c1nc(ncc1Br)Nc2cc(ccc2)F	55
+c1cc(ccc1)C(=O)N(C)CCC=Cc2cccc(c2)N	1046
+c1(I)cccc(c1)NC(=O)Nc2cccc3c2CC(O)CC3	446
+c1cc(ccc1CC(OCC)=O)Sc2cc(ccc2)N	826
+n1cc(cnc1Cl)C#Cc2cccc(N)c2	1472
+O=S(=O)(Cl)c1ccc(cc1)NC(=O)Nc2cc(C#N)ccc2	124
+C(COc1cccc(C(=O)OC)c1)(Nc2cccc(C#N)c2)=O	33
+c1(C(=O)OC)cc(NC(c2c(cccc2)C)=O)ccc1	50
+O=S(=O)(c1ccc(cc1)-c2ccc(F)cc2F)Nc3cccc(c3)C=C	69
+COc1ccc(Br)c(c1)CNc2nc(ncc2Cl)Nc3cccc(c3)CCCO	55
+c1ccccc1C(=O)Nc2cccc(N3CCc4c(cnc5ccnn45)C3)c2	50
+c1cc(ccc1Nc2cccc(c2)O)[N+](=O)[O-]	275
+c1cc(ccc1[N+]([O-])=O)Oc2cc(ccc2)N	46
+c1c(N)cc(Oc2nnc(cc2)Cl)cc1	1119
+c1(N)nc(ccn1)-c2c(c3cc(ccc3s2)Nc4cccc(OC)c4)C	230
+c1cc(ccc1)C(=O)Nc2c3ccccc3c(S(=O)(=O)Nc4cc(OC)ccc4)cc2	69
+c1cc(ccc1Oc2ncnc(Nc3cccc(OC)c3)c2)[N+]([O-])=O	73
+c1ccccc1CCc2cc3c(cc2)[nH]c4ncc(cc34)Nc5cccc(OC)c5	10639
+n1c(c2occc2nc1Cl)Nc3cc([nH]n3)C(Nc4cccc(OC)c4)=O	187
+c1cc(ccc1F)C(=Nc2cc(OCC)ccc2)N	1748
+c1cc(ccc1C)C(Nc2cccc(OCC)c2)=N	3121
+c1cc(ccc1C=2C(N(C3(CCOCC3)N=2)CC(=O)Nc4ccc(c(F)c4)F)=O)Cl	33
+c1(F)cc(ccc1F)Nc2nc(nc3c2cccc3)-c4cnncc4	10640
+c1(cc(Cl)ncn1)Nc2nc(ccc2)N	349
+c1ccccc1-c2cc(ccc2)CC(Nc3cccc4CCC(Cc34)O)=O	11
+C1C(C(=C2c3cc(F)c(N)cc3CC2(CCCC)C1)Br)=O	106
+Nc1cc(C)c(C(=O)C)c(Cl)c1	106
+c1(cc(Cl)c(F)cc1)NCC	15
+c1cc(N)c(NC(c2cc(ccc2)C#N)=O)cc1	0
+c1ccccc1COc2cccc(NC)c2[N+](=O)[O-]	57
+c1c(ncnc1NC)Nc2c(F)cc(F)cc2	73
+c1cc(ccc1Nc2cc(NC)ncn2)N3CCOCC3	73
+c1cc(N)c(NCc2cnccc2)cc1	0
+c1cc(N2C(Nc3c(OC)cc(c(F)c23)F)=O)c(F)cc1I	10641
+c1ccc(c(Nc2ccccc2C)c1)N	0
+c1c(Nc2c(N)c(OC)cc(F)c2F)c(F)cc(I)c1	0
+c1c(Nc2c3nccn3nc(c2)-c4cccc(c4)C=O)nc(cc1)N5CCCC5C	39
+c1cc(ccc1)Oc2ccc(cc2)Nc3ncnc(Nc4cccc(NC)n4)c3	73
+c1ccccc1C2=C(CN(C(=O)C)CC2)COc3c(C=O)c(ccc3)O	10642
+c1ccccc1S(=O)(=O)Oc2cc3cc[nH]c3c(Br)c2	681
+c1cc(ccc1Cl)Oc2cccc(c2)O	304
+c1cc(ccc1COc2cc(O)ccc2)Cl	22
+c1cc(ccc1CC(=O)c2ccc(O)cc2O)F	214
+c1(ccnc2c1cc(c(OC)c2)OC)Oc3cc4cc(ccc4cc3)O	242
+O=Cc1c(c(OC)c(cc1)O)[N+]([O-])=O	173
+c1cc(ccc1OCCCCc2cc(OC(=O)C)ccc2)CCN3C(OC(c4ccc5OC(C)(C)OCc5c4)C3)=O	8
+C1Cc2c(NC1=O)c(F)cc(c2)O	173
+C1CC1(C(OC)=O)Oc2ccc([N+]([O-])=O)c(F)c2	5017
+c1ccc(OC(Cc2c(C)ccc3c2cccc3)C)c(N)c1	0
+C(c1c(O)c(ccc1OC)C=O)CC	732
+c1c(OC)c(Cl)ccc1CO	98
+c1c(c(Cl)ccc1CC#N)O	5
+Nc1cc(cc(OC)c1N)C#N	0
+c1(O)c([N+]([O-])=O)cc(cc1O)C(=O)C	5
+c1cc2C(C#N)CCCc2c(c1OC)[N+]([O-])=O	4966
+c1(c(cccc1OC)O)C(C)CC	5
+c1c(OC)c(c(cc1)OC)CNC(Nc2nc(ccc2)-c3ccc(cc3)F)=N	10643
+c1c(OC)c(c(cc1-c2c(C(=O)Nc3c(cccc3)-c4ccc(CC(O)=O)s4)cccc2)OC)OC	4
+c1c(OC)c(c(cc1-c2c(C(O)=O)cccc2)OC)OC	1
+COc1cc(cc(OC)c1OC)-c2nc(cs2)C=O	1348
+c1c(OC)c(c(cc1CC=O)OC)OCc2ccccc2	24
+c1c(OC)c(c(cc1Nc2nc(nn3c2c(nc3C)C)-c4cc(N)ccc4)OC)OC	0
+c1ccccc1COc2cc(C#N)ccc2OC	22
+c1c(OC)c(cc(-c2c(C)ccc(n2)C#N)c1)F	10644
+c1cc(ccc1NC(C)=O)C(c2cc3NC(C(=CNc4cc(O)c(cc4)OC)c3cc2)=O)=O	1300
+c1c(OC)c(cc([N+]([O-])=O)c1)-c2cc(CN)ccc2	107
+c1c(ccc(C#N)c1OC)CO	98
+c1c(OC)c(ccc1C(=O)O)Cn2c3cc(C=CC(NCCC)=O)ccc3cc2	1
+c1c(CC=O)ccc(C#N)c1OC	24
+c1c(OC)c(ccc1CNCCNc2cc(OC)cc(Br)c2)OC	15
+c1c(OC)c2oc(CO)cc2c(c1)Br	3155
+c1c(OC)cc(cc1C(c2cc3c(cc[nH]3)cc2)=O)OC	1217
+COc1cc(cc(OC)c1)C(c2cccc(OC)c2)=O	335
+c1cc(ccc1CCC(NCCc2cc(OC)cc(OC)c2)=O)F	9
+c1(cc(cc(OC)c1)CN2C(=C(c3ccccc3)c4c(cccc4)C2=O)C(=O)OC)OC	562
+Fc1cccc(F)c1-c2nc3c(s2)c(OC)cc(c3)OC	2179
+c1cc(ccc1OC)C(c2cc(c(OC)cc2OC)CCC(OC)=O)=O	222
+C(OC(CCc1ccc(cc1F)O)=O)C	5
+c1cc(ccc1OC)C(=O)c2c(OC)cc(c(CCC(OCC)=O)c2)OC	222
+c1cc(ccc1)-n2c(cc(NC(C34C(C(=O)N(Cc5c(OC)cc(OC)cc5)C3)C4)=O)n2)-c6cc(CCC)ccc6	142
+CCOC(=O)c1c2CNC(c3ccccc3-n2cn1)=O	4319
+C1(C(C)C(C(=O)O)CN1)=O	3157
+c1cc(ccc1)CC(=O)NC2C(N(Cc3c(cc(cc3)OC)OC)C2=O)C(=O)OC	952
+C1(CC(NC1)=O)C(=O)O	3157
+c1(cc2cc(OC)ccc2nc1Cl)[N+]([O-])=O	2298
+c1c2c(ccc1O)c(-c3cnccc3)cs2	5
+n1(CC)cc(c2ccc(cc12)O)C#N	5
+c1cc(ccc1-c2c(c3ccc(OC)cc3n2CC)C#N)O	10645
+c1cc(ccc1)Sc2c3c(cc(OC)cc3)ncc2	5026
+c1c(OC)ccc2c(OCC(NNc3nnc(cc3)Cl)=O)ccnc12	355
+c1c(OC)ccc2c(ccnc12)OCc3nnc4n3nc(cc4)Cl	2736
+c1c(OC)ccc2c(c(C(CCO)CCCC)sc12)C	21
+c1cc(ccc1-c2nccnc2NS(=O)(=O)c3ccccc3Cl)Cn4c(C)cc5cc(ccc45)OC	962
+c1c(OC)ccc2c1n(c3CCCC(=O)c23)CC(=O)O	3
+c1cc(ccc1F)C#Cc2c(C#N)c3c(cc(OC)cc3)n2CC	10646
+c1nc2c(ccc(c2)O)s1	5
+c1c(OC)ccc2nc(NC(=O)CO)sc12	948
+C(Sc1nc2cc(OC)ccc2nc1)C=O	24
+c1c(ccc2oc(C(=O)O)cc12)O	5
+c1c2c(sc(C(=O)OC)c2)ccc1O	5
+C1CC(CCN1C(=O)COc2c(cc(cc2)C3=NNC(CC3)=O)Cl)NCC(COc4ccccc4)O	731
+c1(C=O)cc(OCC)c(Cl)cc1	39
+c1(OCC)cc(cc(OCC)c1F)C=O	39
+c1cc(ccc1C(c2ccc(cc2)F)CCCCC(=O)N3CCN(CC3)CCOc4cc(c(OC)cc4)OC)F	28
+c1c(OCCCCl)c(cc(C(C)O)c1)O	74
+c1c(OCCCCl)c(cc(c1)C(=O)C)O	5
+c1cc(cc(I)c1OC=C)CCCO	5034
+c12c(cccc1)C(=O)N(C2=O)OCCOc3c(N)cc(cc3)C#N	1395
+c1c(OCCOC(C)=O)c(cc(N)c1)OC	0
+c1cc(ccc1OC(=CC)C(=O)Nc2ccc(c(c2)OC)OCCOC3CCCCO3)C4CC4	10647
+c1c(OCCOC2OCCCC2)c(cc(N)c1)OC	0
+c1c(OCCn2cc(cn2)N)cccc1OC	209
+Fc1c(cc(Oc2c(O)cccc2)c([N+]([O-])=O)c1)NC(C)=O	5
+c1cc(ccc1)CC(=O)NC(=S)Nc2cc(F)c(Oc3c4sc(cc4ncc3)S(C)=O)cc2	2095
+c1cc(ccc1CCC(OC)=O)OCc2cc(Oc3cc(ccc3)C)ccc2	20
+c1(C(=O)O)cc(Oc2ccc([N+]([O-])=O)cc2Cl)cnc1	1
+c1cc(ccn1)-c2nc(nc(Nc3cc(c(cc3)Oc4cc5cn[nH]c5cc4)F)c2)N	73
+c1cc(ccc1)C(OCCn2ccc3ncnc(c23)Nc4ccc(c(Cl)c4)Oc5cccc6C(NCc56)=O)=O	1190
+c1c(Oc2cccc3c2CNC3=O)c(Cl)cc(N)c1	0
+c1cc(ccc1)C(OCCn2ccc3ncnc(c23)Nc4ccc(c(Cl)c4)Oc5cccc6sncc56)=O	1190
+c1c(Oc2cccc3sncc23)c(cc(c1)Nc4ncnc5ccn(C)c45)Cl	1190
+c1c(Oc2cccc3sncc23)c(Cl)cc(N)c1	0
+c1cc(ccc1F)CC(=O)NC(=S)Nc2cc(c(cc2)Oc3cc(Cl)ncc3)F	2095
+c1cc(ccc1)N2CCN(C2=O)C(Nc3cc(c(Oc4ccc(O)nc4)cc3)F)=O	10648
+c1c(OC)ccc(c1Cl)Oc2nc(SC)nc(NCc3nc4c([nH]3)cccc4)c2	40
+c1cc(ccc1C=O)Sc2ccccc2Br	815
+c1cc(ccc1)Nc2ccccc2SC	230
+c1(c([N+]([O-])=O)cccc1N)C=C	0
+Nc1cc([N+]([O-])=O)cc(c1)Br	0
+C(=O)(OCCCCCCCCOC(C(=C)C)=O)c1cc(cc([N+]([O-])=O)c1)N	0
+Nc1c(C)ccc(C(C)O)c1	0
+c1ccccc1Sc2c(cc(cc2)C)[N+]([O-])=O	825
+c1cc(ccc1F)COc2cc(c([N+]([O-])=O)cc2)F	139
+c1ccccc1COc2cc(c([N+]([O-])=O)cc2)F	22
+c1cc(ccc1)Nc2c(F)c(N)c([N+]([O-])=O)cc2C(=O)OC	275
+c1(c(C)cccc1)Nc2c(c(c([N+]([O-])=O)cc2C(OC)=O)N)F	275
+c1c2c(cc(-n3ccnc3)c1[N+]([O-])=O)NC(=O)C(N2O)=O	431
+c1cc(C=CC(OC)=O)cc(N)c1OC	0
+c1c([N+]([O-])=O)c(ccc1C=CCO)OCOC	2219
+c1cc(ccc1SCC=Cc2cc(c(OCOC)cc2)[N+](=O)[O-])Cl	10649
+Nc1cc(C)cc2CCOc12	0
+n1(c(c(nc1Sc2c(cc(N)cc2)Cl)C)C)CC	0
+c1(N2C=CC(=CC2=O)C)cc(N)cc(c1)C(=O)OC	0
+c1c([N+]([O-])=O)cc(N2CCCCC2=O)cc1C(=O)OC	1525
+Nc1cc(cc(OCC)c1)C(=O)OC	0
+c1c(C#N)cc(N)cc1[N+]([O-])=O	0
+c1c2c(cc(cc2)COc3cc(cc(C(=O)OC)c3)[N+]([O-])=O)ccc1	22
+O=S(=O)(Cc1ccccc1)c2c(ccc([N+](=O)[O-])c2)Cl	10650
+c1c(OCCOC)c(I)cc(N)c1	0
+Nc1sc2c(ccc(N)c2)n1	0
+c1ccccc1C(=O)Nc2nc3c(s2)cc([N+]([O-])=O)cc3	548
+n1c(SC)nccc1-c2c(nn3c2cccc3)-c4cc([N+]([O-])=O)ccc4	4694
+C(C)(c1cccc([N+]([O-])=O)c1)O	74
+c1([N+]([O-])=O)cccc(Cc2n(C)ccc2)c1	10651
+c1c(N)cc(cc1)C(=O)c2cccn2CCCC	0
+n1cc(-c2cc(ccc2)[N+]([O-])=O)nc3ccccc13	4249
+n1(-c2cccc([N+]([O-])=O)c2)ccnc1	1444
+n1ccccc1NCCCO	174
+c1cc(ccc1C)C(Nc2nc(-c3ccccc3OC)cs2)=O	548
+c1c(c(-c2n(C)ncc2Cl)cc(N)c1)OC	0
+O=Cc1csc(-c2c(cc(C)cc2)[N+]([O-])=O)n1	1348
+c1cc(ccc1)OC(c2c(OC)ccc(c2C)F)=O	852
+N(C(N)=O)Cc1c(c(C(=O)O)ccc1)C(O)=O	1
+c1c(OC)c(cc(-c2nnn[nH]2)c1)C(=O)O	1
+c1c(OC)c(cc(c1)C(=O)C)C(=O)O	1
+c1c2ncn(-c3cc(OCc4ccccc4C)c(C(OC)=O)s3)c2ccc1	3080
+c1ccccc1COc2cc3n(nc(c3-c4sc(c(n4)-c5c(cccc5)F)C(=O)OCC)C)cc2	10652
+C1CN(CCN1C(=O)OCc2ccccc2)c3scc(-c4ccccc4F)n3	354
+c1c(c(C)c(NCc2c(F)ccc(c2)-c3cc(ccc3)F)c(F)c1)O	162
+c1c(CCO)c(C)c([N+]([O-])=O)cc1	21
+c1cc(ccc1OC)-c2c(oc(n2)COc3cc(c(OCC(=O)OC)cc3)C)Br	10653
+c1ccc(Cl)c(-c2n(c3c(cccc3)n2)-c4c(cc(cc4)O)C)c1	5
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(c5c4cc(c(C)c5)[N+]([O-])=O)Br	2271
+c1c(c(c(Cl)cc1F)CO)F	41
+c1c(c(CC)c(Br)cc1)CCN	157
+c1c(c(Cl)c(F)cc1)NC	695
+c1(c(Cl)cc(C(Nc2ccccc2C(OC)=O)=O)cc1)OC	67
+c1cc(ccc1CC(=O)OCC(c2ccc(OC)c(Cl)c2)=O)OCc3ccc4ccccc4n3	1231
+c1c(c(Cl)cc(N)c1)OCc2cnccn2	0
+c1c(c(Cl)cc(N)c1)OCc2ncccc2	0
+c1ccccc1COc2c(ccc(c2)CC#N)Cl	22
+O(c1c(Cl)ncc(C(=O)O)c1)C	1
+c1c(c(Cl)ncc1Oc2cccc(N)c2)F	106
+c1(c(ccc(Cl)c1C(=O)O)O)F	5
+c1cc(ccc1NC(c2c(c(OC)ccc2Cl)F)=O)CC(OCC)=O	67
+n1(c2cnccc2c(n1)C(=O)N)CC(=O)N3C4CC4CC3C(NCc5cccc(Cl)c5F)=O	348
+c1c(c(c(C(=O)O)c(C)c1)F)OC	1
+c1c(c(F)cc(N)c1)OCc2cccc(F)c2	0
+c1cc(ccc1C(=O)Oc2ccc(c(c2)F)C#N)OC(C=CC)=O	5035
+c1ccccc1COc2cc(c(C#N)cc2)F	22
+c1c(c(F)ccc1C(=O)O)Oc2ccnc(Cl)c2	1
+n1c(c(-c2nc(NC)ncn2)ccc1)Oc3ccc(c(c3)C(=O)O)F	136
+c1n(nc(I)c1C(=O)O)C2CCCCO2	6
+c1c(c(N)c(C)cc1F)F	4256
+c1(c(N)cc(c(Sc2cccc(C)c2)c1)Cl)N	0
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc([N+]([O-])=O)c3)ccc1F)F	230
+c1cc(ccc1C(=O)c2c(OC)ccc(Br)c2)Nc3c(F)cc(F)cc3	230
+c1cc(ccc1OC)COc2ccc(c(c2)C(c3ccc(Nc4c(F)cc(cc4)F)cc3[N+]([O-])=O)=O)C	230
+c1c(ccc(c1F)NC(Nc2nccs2)=O)Oc3c4cc(C#N)c(OCC5CO5)cc4ncc3	446
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+c1cc(ccc1C)S(=O)(=O)OCCc2nnn(c2)-c3cc(C(=O)c4c(cc(Nc5ccc(F)cc5F)cc4)Cl)c(cc3)C	36
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+c1c(c(Nc2cc(N)c(cc2)C(=O)c3c(C)ccc(OCCCO)c3)ccc1F)F	0
+c1ccccc1COc2c(CC(OC)=O)cc(cc2Br)Br	22
+c12c(Cl)cccc1CCCO2	126
+c1cc(ccc1-c2cc(cc(c2O)[N+]([O-])=O)C(OC)=O)F	11
+Nc1c(O)c(cc(F)c1)-c2cc(C(=O)O)ccc2	0
+[N-]=[N+]=NCc1cccc(c1OC)Br	10654
+c1(c(c(CC=O)ccc1)OC)OC	1292
+O=C(c1c(OC)c(c2c(c1)CCCC2)I)O	1
+c1c(c(O)c(cc1F)O)F	5
+c1c2c(nc(-c3ccc(c(OC)c3)Cc4ccccn4)o2)ccc1	10655
+c1ccccc1OC(Nc2cc(c(cc2OC)C)C)=O	90
+c1c(c(OC)cc2c1N(C(=O)OC2)C)CC=O	1156
+C1CN(CCC1C(=O)c2ccc(cc2)F)CCN(c3ccccc3OC)C(c4cccc(c4)OC)=O	61
+c1c(c(OC)ccc1)N(C(=O)c2cccc(OC)c2)CC=O	24
+c1c(c(OC)ccc1)N(CCO)C(=O)c2cccc(OC)c2	168
+C1(Nc2cccc(c2OC1)CC=C)=O	2729
+c12ccc(cc1cc(CO)o2)-c3noc(-c4ccc(c(OCC)c4)OCC)n3	529
+c1ccc(c(N)c1)OCCF	1599
+c1cc(ccc1C)S(=O)(=O)OCCOc2ccccc2Br	36
+c1c(c(N)c(C(Nc2cccc(c2C)Br)=O)cc1F)F	0
+C1C(=O)Nc2c1cccc2F	1089
+c12NC(Cc1ccc(c2)-c3cc(OCC)ccc3)=O	1089
+c1c(c([N+]([O-])=O)cc(-c2cc(OCC)ccc2)c1)CC(O)=O	4
+c1ccccc1COc2c(cc(c([N+](=O)[O-])c2)Br)F	22
+c12C(CCc1cc(N)c([N+]([O-])=O)c2)=O	106
+c1cc(ccc1S(=O)(=O)OCCc2ccccc2[N+](=O)[O-])C	36
+c1(c(ccc(C)c1C(=O)O)O)F	5
+c1c(c(c(c(F)c1)N)C#N)OC	1497
+c1c(-c2cc(ccc2)F)cc(c(F)c1C)CNc3c(ccc(c3C)O)C	162
+n12c(C)nnc1c(NCc3c(C)cccc3CC)cc(c2)C(=O)OC	2951
+c1c(CCO)c(c(C)cc1)[N+]([O-])=O	21
+c1cc(N)c(c(c1OC)[N+]([O-])=O)CC	0
+c1c(c(c(Cl)cc1)C)Cn2c(nc3c(Br)cc(N)cc23)CF	0
+c1cc(ccc1[N+]([O-])=O)Cc2c(c(ccc2)Cl)Cl	2300
+c1(c(c(ccc1CO)OC)Br)F	41
+c1ccccc1C=C(Cc2cccc(c2C)F)[N+](=O)[O-]	1734
+c1([N+]([O-])=O)cccc(CC)c1N	106
+c1c(Br)c(c(N)cc1C#N)Cl	0
+c1(c(ccc(c1C#N)I)O)F	5
+c1c(c(F)c2cc(C)[nH]c2c1)OC	3345
+c1c(c(c(cc1)OC)C)CCN	157
+C(OC)CCc1cc(cc(c1C)Br)C(=O)OC	374
+O=Cc1cc(c(c(c1)C=CCOC)C)Br	1766
+C1C(C(=C2C(CCCC)(C1)Cc3c(c(ccc23)O)Cl)C)=O	5
+c1(c(c2cc(C)n(c2cc1)C)F)O	5
+c1c(c(cc(-c2noc(C(=O)O)c2)c1)C)OCCc3cc4C(=O)N(c5c(N(c4nc3)CC)nccc5)C	6
+C(C)OC(c1onc(-c2cc(C)c(cc2)O)c1)=O	241
+Oc1c(cc(cc1)C(=O)c2ccccc2Cl)CC	5
+c1(ccc(cc1F)F)C=Nc2cc(Br)c(cc2O)F	457
+O(CC)C(C=C(c1ccc(N)cc1F)C)=O	1191
+c1(c(cc(c(OC)c1)CC)N)OC	0
+c1c(c(cc(c1)-c2nsc3ccc(N)cc23)C)OC	0
+c1c(c(cc(C(=O)O)c1)C#N)OC	1
+O(c1c(cc(cc1)CN)OCC)Cc2ccc(nc2)OC	817
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(CCC(=O)O)n2)Cl)OC	4
+c1c(c(cc(c1)Nc2c3cc(N)c(OCC)cc3ncn2)Cl)OCc4cccc(F)c4	0
+O=Cc1c(Oc2cc(c(Cl)cc2)Cl)ccc(c1)Br	46
+c1c(Br)c(C#N)cc(N)c1N(C(C)CCl)C	0
+c1cccc(-c2c3c(n[nH]2)ccc(-c4[nH]nnn4)c3)c1O	5
+c1cc(ccc1C(=NNc2cc(nc(CC)n2)-c3ccccc3OC)C)N(C)C	1713
+c1cc(ccc1C(C)=NNc2cc(nc(CC)n2)-c3ccccc3OC)C	1713
+c1cc(ccc1)COc2c(cccc2)-c3ccccc3Br	11
+c1cc(ccc1)COC(NC(C)C(=O)Nc2c(cc([N+]([O-])=O)cc2)C(c3ccccc3F)=O)=O	33
+c1(ccccc1C)C(N2c3ccccc3CC2)=O	448
+c1cc(ccc1C(=O)N2CCc3cnc(C)nc3-c4ccccc24)NC(c5c(C)cccc5)=O	50
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3Cc4cccn4Cc5c3ccs5	50
+c1cc(ccc1C(C)C)CN(C(=O)CCc2ccc(cc2)OCc3ccccc3C(OC)=O)CCCOCC	22
+c1cc(ccc1CCC(N(CCC)Cc2ccc(F)cc2F)=O)OCc3ccccc3C(OC)=O	22
+c1cc(ccc1CCCO)OCc2ccccc2C(OC)=O	22
+c1c2-c3c(CCOc2cc(Br)c1)cc(C(N(c4c(Cl)cccc4)C)=O)s3	4609
+c1c(-c2ccc3c(NC(CC(c4sc(cc4)C#N)=N3)=O)c2)c(ccc1)F	10656
+c1c(c(ccc1)F)-c2ncc(OCCO)cc2	95
+c1c(c(ccc1)F)-c2ncc(N)cc2	13
+c1cc(ccc1-c2cccc(OCC)c2)C3N(c4c(F)cccc4)N=C(C3)C(OC)=O	4899
+O=Cc1ccccc1I	39
+N(=[N+]=[N-])Cc1ccccc1I	925
+Oc1nc2c(cc1)cccc2Br	10657
+O=Cc1c(cccc1)Nc2cccc(C)c2C	39
+c1cc(ccc1Cl)OCCNC(CCc2ccccc2OC)=O	9
+O=S(=O)(c1ccc(cc1)C)CCOC(=O)CCc2c(OC)cccc2	27
+C1c2nc(C#N)ccc2C(NCCc3ccccc3OC)CC1	5036
+c1cc(ccc1C)S(=O)(=O)NCCc2ccccc2OC	71
+c1cc(N)c(NC(CCCCCN)=O)cc1	0
+c1c(c(ccc1)[N+]([O-])=O)NC(CCCCCN)=O	18
+c1cc(N)c(NCC)cc1	0
+n1c2nc(nc(O)c2ncc1)-c3cc(ccc3F)Br	10658
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	548
+CC(C)(C#N)c1c(cc(NC(c2cc(c(cc2)OC)OC)=O)cc1)-c3ccc(cc3)C	50
+c1(C=O)cc(c(cc1)-n2cc(nc2)C)OC	1766
+c1cc(ccc1OC)S(=O)(=O)N(Cc2cc(C)ccc2[N+]([O-])=O)C(C(OC)=O)CO	10659
+COc1cccc(-c2noc3cc(ccc23)F)c1	10660
+c1c(c(ccc1F)C2c3nc(nc(c3CC2)NC(C)CCCOc4cc(N)ccc4-n5cnc(C)n5)Cl)F	0
+c1ccccc1COc2ccc(O)c(C(C)=O)c2	22
+c1cc(ccc1C#CCNCc2ccc(OC)cc2OC)[N+](=O)[O-]	121
+c1c(c(Br)nc(c1)C=O)OC	178
+c1cc(ccc1F)-c2nnc(OC)c(OC)c2	519
+c1cc(ccc1)Sc2cc(c3c(CCCC3=O)c2)F	815
+c1c(cc(C)c2Cc3c(cccc3C)-c12)C	394
+Nc1cc(C)cc2c1OC(C)C2	0
+c1cc(ccc1Cl)C(c2c[nH]c3c(CSC)cccc23)(C)C4CC4	1263
+c1cc(ccc1Cl)C(c2cc(c(F)cc2)Cl)c3c[nH]c4c(cccc34)CSC	5037
+c1cc(ccc1C(c2c(cc(cc2)F)C)c3c[nH]c4c3cc(cc4CSC)F)F	5037
+c1cc(CO)c2c(c(C)ccc2)c1OCOC	41
+c1c(cc(CN)c(Cl)c1)Br	162
+O=C(c1cc(n(n1)-c2ccc(cc2C(=O)N3Cc4ccccc4CC3CO)Br)C)O	6
+c1c(cc(CO)cc1F)Br	49
+c1c(cc(c(Nc2c(cc(c(F)c2)-c3cc(C)c(Cl)cc3)OC)c1)C(=O)O)Br	1
+c1c(cc(C(O)c2ccc(OCC)c(F)c2)c(Cl)c1)Br	488
+c1cc(ccc1CNC(c2cc(ccc2F)Br)(CO)C)OC	42
+c1cc(ccc1-c2ccc(s2)C(=O)c3cc(ccc3Cl)Br)F	10661
+c1c(OC)ccc2[nH]c(nc12)-c3c(F)ccc(c3)Br	10662
+c1cc(ccc1-c2cc(c(cc2)F)C(=O)Nc3cccc(OCC(OCC)=O)c3)F	11
+c1c(cc(C(CC)=O)c(F)c1)Br	155
+c1c(cc(c(Cl)c1)Cc2ccc(OCC)c(c2)F)Br	452
+c1c(cc(C(=O)c2cccc(c2)F)c(F)c1OC)C#N	335
+c1c(cc(C)c(CO)c1)Br	98
+c1cc(c(F)cc1-c2cc(c(cc2)C(OC)=O)C)Nc3nc4c(cc(F)cc4)s3	2256
+c1cc(ccc1[N+]([O-])=O)-c2ccc(c(c2)C)C(=O)OC	11
+c1cc(ccc1-c2cccnc2N)Oc3cc(c(cc3)C)C	304
+c1c(cc(C)c(c1)CCOC(=O)Nc2cccc(C#N)c2)Br	589
+c1cc(ccc1-c2cccnc2N)Oc3cc(c(F)cc3)C	304
+c1cc(ccc1Oc2c(cc(F)cc2)C)-c3cccnc3N	754
+c1c(cc(C)c(CO)c1)Br	49
+c1cc(ccc1)Oc2ccc(c(c2)C)C(OCC)=O	304
+c1ccccc1S(=O)(=NC(c2cc(cnc2)C#Cc3ccc(c(c3)C)O)=O)C	129
+C(C(C)[N+]([O-])=O)c1cc(ccc1F)F	3150
+c1cc(c(cc1Br)C=O)Oc2cccc(c2)CC(OC)=O	46
+O(c1ccc(cc1C=O)Br)c2cc(ccc2OC)CC(=O)OCC	46
+c1cc(ccc1OC)Oc2c(cc(cc2)Br)C=O	46
+c1cc(ccc1OCC)-c2sc(cc2)Cc3cc(ccc3F)Br	5038
+s1c(Cc2cc(ccc2F)Br)ccc1-c3cc(ccc3)OCC	5038
+c1ccccc1C(c2cc(Br)ccc2F)O	704
+c1c(I)cc(CO)c(F)c1	41
+c1cc(ccc1-n2ncc3cc(I)ccc23)C(=O)O	5039
+c1cc(ccc1-n2c3c(cc(I)cc3)cn2)Cl	5039
+c1ccccc1COc2ccc(Br)cc2C=O	22
+c1c2c(c(nn2Cc3cc(ccc3)C#N)N)c(cc1)Cl	823
+c1c2c(c(nn2Cc3cc(ccc3)C#N)N)c(cc1)F	823
+c1cc(ccc1F)C(N2Cc3cc(OCc4cc(C#N)ccc4)nn3CC2)=O	10663
+C1CN(CCN1Cc2cccc(C#N)c2)c3ccc(cc3)[N+]([O-])=O	131
+C(c1cc(ccc1)C#N)n2ncc([N+]([O-])=O)c2	309
+CC1(C)Cc2cc(Br)ccc2O1	1658
+c1c(cc2cc([nH]c2c1)-c3c(F)cccc3Cl)Br	10664
+c1c(cc(CC(c2c(Cl)cccc2F)=O)c(c1)[N+]([O-])=O)Br	155
+c1c(cc(cc1)CCCO)C#N	21
+c1cc(ccc1C)S(=O)(=O)OCCCc2cc(Br)ccc2F	36
+c1c(cc(c(Nc2c(cc(c(F)c2)-c3cc(C)c(Cl)cc3)OC)c1)C=O)Br	39
+c1c(Br)cc2CN(C(c2c1)=O)C	10665
+c1ccccc1COc2c(cc(Br)cc2)CO	22
+c1cc(ccc1C(c2ccc(cc2)OC)(c3ccccc3)OCc4cc(C#N)ccc4)OC	604
+c1c(cc(Cc2occ(n2)C(=O)O)cc1)C(=O)C	1
+c1cc(ccc1-c2sc(F)cc2NC(OC(C)c3ccc(F)cc3Cl)=O)-c4ccc(cc4)C5(CC5)C(=O)OCC	2578
+c1cc(ccc1)-c2ccc(c(Cl)c2)C(=O)Nc3cc(CC(OCC)=O)ccc3	11
+c1cc(ccc1)-c2c(Cl)cc(Br)cc2	4665
+C1Cc2c(NC1=O)c(Cl)cc(Br)c2	2440
+c1c(cc(Cl)c(N2C(=O)NCC2)c1)Br	1760
+c1c(cc(c(c1)CC[N+](=O)[O-])Cl)Br	364
+c1cc(OCCCl)c(Cl)cc1Br	267
+c1cc(ccc1C=O)Oc2c(cc(Br)cc2)Cl	46
+c1cc(ccc1C#Cc2c(cc(Br)cc2)F)CCCCC	129
+c1(ccc(Nc2ccccc2[N+]([O-])=O)cc1F)C(OCC)=O	230
+C1N(CC1Oc2cc(ncc2)F)c3ccc(cc3)C(NC(C)=O)C	2009
+Ic1c(C=Cc2c(I)cc(cc2)Br)ccc(Br)c1	1521
+c1ccccc1C(Nc2c(ccc(Br)c2)C(=O)OC)=O	50
+c1cc(ccc1)-c2c(cc(cc2)Br)N	134
+c1c(cc(c(c1)CCOC(=O)Nc2cccc(C#N)c2)CC)Br	589
+c1c(cc(c(CO)c1)O)Br	49
+O=Cc1ccc(N2C=Cc3c(C2=O)ccc(OC)c3)cc1OC	2333
+c1cc(ccc1)COc2c3c(n(nc3Nc4cc(c(cc4)Cl)SC)C5C(CCOC5)C#N)ccn2	781
+c1c(cc(N)c(C(=O)OC)c1)Br	0
+c1cc(ccc1-c2ccc(F)cc2[N+](=O)[O-])F	667
+c1(N)cc(ccc1NC(C)CO)Br	0
+c1cc(ccc1)CNc2ccc(-c3oc4ccccc4n3)cc2[N+](=O)[O-]	60
+c1c(cc(N)c(c1)O)Br	0
+c1ccccc1COc2c(cc(F)cc2)[N+](=O)[O-]	22
+[N+](c1cc(CO)cc(Br)c1)([O-])=O	49
+c1c(cc2OCCCNC(c2c1)=O)Br	513
+c1ccccc1-c2ccc(C)c(C#N)c2	11
+c1(cc(ccc1C)Br)C=CCCOC	2053
+c1c(cc(CO)c(CBr)c1)Br	49
+c1c(cc(c(CBr)c1)C(=O)O)Br	1
+c1cc(ccc1-c2cc(ccc2F)OC)C3Oc4c(CC3)ccc(Br)c4	10666
+c1cc(ccc1C(c2c(ccc(Br)c2)Cl)=O)CCOC(=O)C	358
+Clc1ccc(cc1-c2nc3c([nH]2)cccc3)Br	1127
+n1cc(cnc1N2CCC(CC2)Oc3cc(ccc3Cl)Br)-c4nn(nn4)CC(OCC)=O	20
+c1cc(ccc1Oc2c(Cl)ccc(c2)F)[N+]([O-])=O	46
+c1c(Br)cc2c(c1)N(CC2)C(=O)Cc3cc(ccc3F)F	429
+c1cc(ccc1[N+]([O-])=O)Oc2c(ccc(F)c2)F	46
+c1c(cc(c(c1)-n2nccc2)[N+]([O-])=O)Br	926
+c1cc(ccc1)Sc2ccc(Br)cc2C(=O)O	826
+c1c(cc(C=Cc2c(I)ccc(c2)Br)c(I)c1)Br	1521
+c1cc(ccc1-c2cc(c(cc2)N)C#N)Cl	11
+c1ccccc1Cc2cc(C#N)c(cc2)N	2300
+c1cc(ccc1)S(=O)(=O)c2cccc3cc(C(Nc4c(C#N)cc(cc4)I)=O)[nH]c23	187
+c1c(cc(C(C)O)c(N)c1)Br	74
+c1cc(ccc1)C(O)(c2cc(ccc2N)Br)C	3847
+c1cc(ccc1OCC(=O)Nc2c(C(=O)OC)cc(cc2)Br)C#N	26
+c1c(cc(c(Nc2c(ccc(Cl)n2)C(=O)O)c1)F)Br	201
+c12c(cc(-c3ccncc3C)[nH]1)cc(Br)cn2	3152
+c1c(cc(c(NC2=C(C=C(C(N2C)=O)Br)C(=O)O)c1)F)Br	127
+c1c(cc(c(NC2=CC(=O)N(C)C=C2C(NOCCO)=O)c1)F)Br	1000
+c1c(cc(c(Nc2c(C(=O)OC)ccc3cncn23)c1)F)Br	1905
+c1c(cc(c(Nc2c(ccc(O)n2)C(=O)O)c1)F)Br	1
+c1c(cc(c(Nc2c(C(=O)OC)ccc(O)n2)c1)F)Br	104
+c1c(cc(c(Nc2c(ccc3cncn23)C(=O)O)c1)F)Br	1
+c1c(cc(c(Nc2c(cn3c(c2Cl)ncc3)C(=O)O)c1)Cl)Br	1
+c1c(cc(c(Nc2c(cnc(O)c2F)C(=O)O)c1)F)Br	1
+c1c(cc(c(Nc2c(C(=O)OC)cnc(O)c2F)c1)F)Br	104
+c1c(cc(c(Nc2c(C(NOCCO)=O)ccc3cncn23)c1)F)Br	1000
+c1c(cc(c(Nc2c(c3c(cc2C(=O)O)n(cn3)C)Cl)c1)Cl)Br	1
+c1c(cc(c(Nc2c(-c3nnc(CCl)o3)cn4c(c2Cl)ncc4)c1)F)Br	2145
+c1c(cc(CO)c(Nc2c(cc(c(F)c2)-c3cc(C)c(Cl)cc3)OC)c1)Br	49
+c1ccccc1CSc2cc(C=O)c(Nc3cc(c(cc3OC)-c4cc(c(Cl)cc4)C)F)cc2	607
+C(C(c1cc(c(cc1)O)OC)=O)CC(=O)O	5
+c1cc(ccc1F)-c2cccn3c2nc(n3)Nc4ccc(-n5cnc(C)c5)c(c4)OC	490
+c1c(cc(C(=O)N2Cc3ccccc3CC2CO)c(-n4c(C)cc(n4)C(=O)OCC)c1)Br	30
+c1c(cc(N)c(c1)-n2nccc2)Br	0
+c1cc2c(cc1)C(c3ccccc3O2)C(C(=O)c4ccc(cc4C)Br)C(=O)OCC	10667
+c1cc(ccc1)-c2cc(c(C=O)cc2)F	11
+c1c(cc(F)c(C=C)c1)Br	10668
+c1c(cc(N)c(c1)CC)Br	0
+c1cc(ccc1Cl)-c2cc([N+](=O)[O-])c(cc2)CC	11
+C1c2c(F)cc(cc2C(CC1)=O)Br	214
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	14
+c1c(cc(c(c1)CCN)Cl)Br	157
+c1c(cc(c(c1)Cc2c(nn(-c3c(Cl)ccc(N)c3)c2C#N)CCCC)F)Br	0
+c1c(cc(c(c1)Cc2c(nn(-c3c(Cl)ccc([N+]([O-])=O)c3)c2C#N)CCCC)F)Br	331
+C(O)(C(Nc1ccc(Cl)c(c1)Cl)C)=O	3
+c1c(cc(N)c(c1)N(C)CCO)Br	0
+c1cc(ccc1)Cc2c(Oc3ccc(F)cc3C(C)=O)nc4c(cc([N+]([O-])=O)cc4)c2	10669
+c1ccccc1-c2ccc(cc2)CC(C(OC)=O)NC(=O)c3c(O)ccc(Br)c3	259
+c1c(cc2C(NOc2c1)=O)Br	3582
+c1cc(ccc1F)COC=2C=CN(c3ccc(c(OC)c3)O)C(C=2)=O	1614
+c1ccccc1Nc2c(ccc(Br)c2)[N+](=O)[O-]	275
+c1cc(ccc1)CNc2cc(ccc2[N+](=O)[O-])Br	60
+c1(NCc2cncc(F)c2)c(ccc(c1)Br)[N+]([O-])=O	60
+c1cc(ccc1COC2=CC(N(C=C2)c3cc(NC)c(cc3)[N+]([O-])=O)=O)Cl	1614
+c1ccc2C(=O)N(C(=O)c2c1)CCCc3cc(C(N)=O)ccc3	966
+c1cc(ccc1C(=O)Nc2ccc(c(NC(=O)c3cccc(CCl)c3)c2)C)C#N	50
+CC(c1cc(OCc2cc(c(cc2)Cl)Cl)ccc1)=O	139
+c1ccccc1COc2cc(C(C)=O)ccc2	139
+c1c(Oc2cc(C)ccc2)cc(cc1)CO	41
+c1ccccc1-c2cc(cc(C(NC)=O)c2)Br	134
+c1cc(ccc1-c2cc(cc(C(=O)O)c2)[N+](=O)[O-])C	134
+c1cc(ccc1)-c2cc([N+]([O-])=O)cc(C(=O)OC)c2	134
+c1c(cc2-c3nc(C(=O)O)sc3CCOc2c1)Br	6
+c1c2c(ccc1Br)CCCC2	165
+c1ccccc1COC(=O)Nc2c3[nH]cc(C4(CC)c5ccc(cc5CC4)F)c3ccc2	1263
+c1ccccc1CN2c3cc(ccc3OCC2=O)Br	1126
+c1c(cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2c1)CC(=O)O)Br	3
+c1cc2c(OCCC2O)cc1F	74
+c1c(cc2OCCCNCc2c1)Br	162
+c1c(cc2OCCc3c(sc(C(N(c4c(Cl)ccc(C(=O)O)c4)C)=O)c3)-c2c1)Br	1
+c1c(cc2OCCc3c(sc(C(=O)O)c3)-c2c1)Br	1
+c1cc(ccc1)Cn2c3ccc(Br)cc3c(c2C)C	190
+C1CC(CCN1C)c2c3c([nH]c2)ccc(c3)Br	671
+c1ccccc1COc2ccnc3c2cc(cc3)Br	260
+c1(ccc2c(c1)NC(=O)C(C)O2)Cn3ccnc3	2330
+c1cc(ccc1C(C)(C)C#N)Nc2c3c(ccc(Br)c3)ncc2[N+](=O)[O-]	179
+c1c(cc2c3c(NC(=O)N3CC(C)OC)cnc2c1)Br	10670
+c1c(cc2c(c(cnc2c1)C(=O)O)NCC(C)OC)Br	6
+c1ccccc1CSc2cc3c(F)cnc(O)c3cc2	607
+c1ccccc1CSc2cc3c(c(O)ncn3)cc2	2039
+c1(N)nc(ccn1)-c2sc3c(cccc3)c2C	562
+c1ccccc1CN2c3cc(Br)ccc3CCC2	507
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4ccc(cc34)Br	3891
+c1c(cc2c(c1)N(C(C)CC2Nc3ccc(cn3)C#N)C(=O)C)Br	70
+c1cc(ccc1)C(Nc2nccc3c2ccc(c3)Br)=O	10671
+c12c(cnc(N)c1)cc(cc2)Br	2203
+c1c(ccc2c3ccc(cc3n(c12)-c4ccccc4)Br)Br	2246
+c1cc(ccc1)Cn2c3cc(ccc3cc2)Br	190
+c1cc(ccn1)-c2cc3c(ccnc3)cc2	498
+c1c(cc2c(c1)n(C3CCCCO3)nc2C(=O)O)Br	1
+c1c(cc2c(c1)nc(Cl)c(CO)c2)Br	269
+c1cnccc1-c2ccc3nc(ncc3c2)N	498
+c1cc(ccc1)-c2cc3ccsc3cc2	11
+c1ccccc1-c2ccc3c(c(CCC(OC)=O)c[nH]3)c2	11
+c1cc(ccc1)CN2c3ccc(C#N)cc3-c4c(cccc4)C2=O	10672
+c1c(cc2c(ncnc2c1)-c3cc(C(=O)O)ccc3)Br	6
+c1cc(ccc1F)-c2cc3c(ncnc3cc2)O	11
+c1c(oc2c1cc(cc2)Br)CC	2361
+c1ccccc1S(=O)(=O)n2c3c(cc(F)cc3)c4C(NCCc24)=O	367
+c1cc(ccc1S(=O)(=O)n2ncc3c2ccc(Br)c3)C	3123
+c1cc(ccc1C)Cn2c(C(OCC)=O)cc3c2ccc(Br)c3	190
+c1cc(ccc1[N+]([O-])=O)Cn2c(C(OCC)=O)cc3c2ccc(Br)c3	190
+c1ccccc1Cn2c3ccc(Br)cc3cc2C(OCC)=O	190
+c1c(cc2c(c1)n(C)c(CO)c2)Br	194
+C1C(CN(C1)c2nnc(cc2)C#N)c3ccc4c(cc(C(Nc5cc(F)cnc5)=O)[nH]4)c3	212
+c1cc(ccc1CNc2c(I)cc3c(n2)ccc(Br)c3)OC	554
+c1cc(ccc1)COC(=O)N2CC(CC2)Cn3ccc4cc(ccc34)Br	1854
+c1cc(ccc1)Cn2ccc3cc(Br)ccc23	190
+c1ccccc1S(=O)(=O)n2c3c(cc(Br)cc3)cc2	367
+c1c(cc2ccc(C(=O)C)nc2c1)Br	1867
+c1cc(ccc1-c2ccc3c(c2)ccc(n3)C(C)=O)C(=O)C	11
+c1c(cc2ccc(N)c(N)c2c1)Br	0
+c1c(cc2ccc3cnc(C)n3c2c1)Br	10673
+c1ccccc1COc2cc3nccc(c3nc2)Cl	1900
+c1(C=O)cc2nn[nH]c2cc1	39
+c1c(cc2nonc2c1)Oc3c(cccn3)C(=O)O	6
+CC(C)(c1ccc(cc1)CNC(=O)c2c(Oc3ccc4nsnc4c3)nccc2)O	56
+c1c(cc2nsnc2c1)Oc3c(cccn3)C(=O)O	6
+c1c(cc2sc(c(C(=O)OCC)c2c1)Nc3cc(ccc3[N+]([O-])=O)F)Br	10674
+c1c(cc2sc(c(C(=O)OCC)c2c1)Nc3cc(ccc3N)F)Br	0
+c1c(ccc(-c2oncc2CO)c1F)F	903
+c1c(ccc(-c2oncc2CCCO)c1F)F	95
+c1c(ccc(-c2oncc2CCC(=O)O)c1F)F	3
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5cc(CN)ccc5-c4n3)c1F)F	107
+c1ccccc1COc2ccc(c(C#N)c2)Br	22
+N1c2c(cc(Br)c(Cl)c2)CCC1=O	2440
+c1cc(cc(OC)c1C#N)Cn2cncc2Cc3ccc(nc3)N4C=C(Cl)C=CC4=O	10675
+c1cc(ccc1CNC(C2=CN3C(=C(C)C(N(Cc4ccc(C(=O)OC)c(C)c4)C3=O)=O)S2)=O)F	1819
+c1cc(ccc1-c2sc(Cl)cc2NC(=O)OC(C)c3c(cc(cc3)F)F)-c4ccc(cc4)C5(CC5)C(=O)OCC	10676
+c1c(c(C(=O)c2cccc(OC)c2)ccc1F)F	335
+c1c(ccc(C(=O)O)n1)C(=O)NCc2ccc(c(Cl)c2)Cl	1
+c1c(ccc(CCC(OCC)=O)c1F)F	159
+c1c(ccc(C=Cc2occ(COc3cccc(c3)CCCn4nncc4)n2)c1F)F	547
+c1cc(ccc1OCc2nc(oc2)C=Cc3ccc(cc3F)F)CCCCO	547
+c1cc(ccc1CN(c2c(c([N+]([O-])=O)ccc2)C=C)Cc3ccc(cc3F)F)Oc4cc(ccc4)OCC=C	507
+c1c(ccc(CCCN)c1F)F	51
+c1c(ccc(CCC#N)c1F)F	143
+c1c(ccc(CCC(=O)O)c1F)F	3
+c1cc(ccc1CC)C(=O)NCc2ccc(F)cc2F	14
+c1cc(ccc1O)CCC(N(CCC)Cc2c(F)cc(cc2)F)=O	10
+c1c(ccc(COC2=C(C(N(C(=C2)C)c3c(C)cnc(c3)C(=O)O)=O)Cl)c1F)F	1
+C(c1ccc(Cl)c(Br)c1)N	162
+N(C)c1cc(Cl)c(F)cc1	695
+c1(C=O)ccc(-n2ncnc2)c(F)c1	2267
+c1cc(C(C)C(O)=O)cc(N)c1N	0
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCCCCCN(CCCC)C(=O)Nc4c(cc(cc4)F)F	326
+c1ccccc1CON2C(c3cc(c(Cl)nc3N(C2=O)c4ccc(cc4F)F)F)=O	10677
+c1cccc(N)c1C(Nc2ccc(cn2)Cl)=O	0
+c1cc(ccc1C(C(OC)=O)Oc2c(F)cc(F)cc2)S(=O)(=O)C3CCOCC3	2486
+c1cc(ccc1)COc2ccc(O)nc2	483
+c1c(ccc(Oc2cc(C(NC)=O)ccc2N)c1F)F	0
+c1c(N)c(cc(c1Br)Oc2c(cc(cc2)F)F)N	0
+c1(C)c(cc(c(Oc2ccc(cc2F)F)c1)Br)N	0
+c1c(ccc(Sc2c(N)ccc(C(NCC)=O)c2)c1F)F	0
+c1c(ccc(Sc2c(N)ccc(c2)C(=O)C)c1F)F	0
+O=Cc1cc(ccc1[N+]([O-])=O)C(=O)OC	39
+c1c(ccc([N+]([O-])=O)c1CO)C(=O)OC	59
+c1cc([N+]([O-])=O)c(-n2ccnc2)cc1F	431
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CCCO)CC2)=O)=O	168
+C(CCCc1cc(c(cc1)Cl)Cl)O	21
+c1c(ccc(-c2nc(ccc2C(=O)OCC)Cl)c1F)F	174
+c1c(ccc(c1F)-n2c(c(cn2)C(=O)O)N)F	6
+c1cc(ccc1)COc2ccc(C(C)=O)cc2OC	22
+c1ccccc1N2N(C(=C(C2=O)C(Nc3ncc(cc3)O)=O)C)C	10678
+C1CCN(C1)CCOc2ccc(cc2)Nc3nc4cc(C)cc(n4n3)-c5ccc6c(c5)OCCO6	490
+s1c(NC2C(O)CCCC2)nc3ccc(O)cc13	5
+c1ccccc1-c2c(ccc(OC)c2)-c3cc4c(c5ccc(Br)cc5n4-c6ccccc6)cc3	495
+COc1c(C(c2ccc3ccccc3c2)=O)c(F)ccc1Br	335
+c1cc(ccc1-c2cn3c(sc4cc(ccc34)O)n2)[N+](=O)[O-]	10679
+c1cc2nc(SC)sc2cc1Oc3c4c(cccc4)ncc3	242
+c1(nc2c(s1)cccc2)Oc3ccc4oc(C(OC)=O)cc4c3	1523
+c1c(cccc1-c2cc(O)c3c(c(O)cc(C(=O)O)n3)c2)C	1
+c1cc(ccc1)-c2cccc(c2)OCC(O)CN3CCc4c(C3)cccc4	11
+c1(-c2cn3nc(ccc3n2)Cl)cc(ccc1)C#N	1749
+c1c2NC(=O)CC(c3cc(ccc3)C#N)=Nc2ccc1I	1222
+N1c2cc(-c3cc(ccc3F)F)ccc2N=C(c4cc(ccc4)C#N)CC1=O	1222
+N1(CC(c2cc(ccc2)O)CCC1)CC3COc4c(cccc4)O3	15
+c1c(cccc1C2NCCC2)OC	15
+c1cnccc1CN2CCCC2c3cc(ccc3)OC	171
+c1cc(ccn1)C=Cc2cc(Nc3ncccc3[N+]([O-])=O)ccc2	914
+c1ccc(cc1OCCC(O)C)CC(OC)=O	267
+c1ccc(O)cc1OCC=C	173
+c1c(OCCn2ncc(c2)[N+]([O-])=O)cccc1OC	338
+c1c(Oc2cc(Br)c(F)cc2N)cccc1OC	0
+c1cc(cc(O)c1)Oc2ccccc2[N+]([O-])=O	5
+c1c(cccc1OCC2Cc3c(CC2)cc(C4CC(N)(CC4)CO)cc3)OC	886
+Clc1ccc-2c(c1)COc3c-2ccc(OC)c3	3034
+c1c(cc(N)cc1)C(=CC#N)c2cc(c(OC)cc2)OC	0
+c1c([N+]([O-])=O)cccc1C(=O)c2ccc[nH]2	1873
+c1ccc(cc1C(Nc2c(cccc2)Oc3cc(c(C#N)cc3)C#N)=O)[N+]([O-])=O	50
+c1c([N+]([O-])=O)cccc1C(=O)c2cccn2C	1873
+c1cc(ccn1)NC(=O)c2cccc([N+]([O-])=O)c2	50
+c1c(cn2c(nc(C)c2C(O)=O)c1OCc3c(F)c(ccc3F)F)C	6
+c1c(cnc(c1F)CO)F	629
+n1c(Cl)nccc1NC(C)c2ncc(cc2)F	40
+c1c(cnc(C(C)Nc2nc(c3ccncc3n2)Nc4ncn(C)c4)c1F)F	798
+c1c(cnc(C(C)N)c1F)F	524
+c1ccccc1COc2ccc(cc2)C(c3c(F)cc(cn3)F)=O	10680
+c1cc(ccc1CO)-c2ccc(F)cn2	119
+c1cc(ccc1CC(c2ncc(CC(C)(C)CC)n2C)N(C)C(=O)OCc3ccccc3)-c4ccc(F)cn4	4185
+n1n(cc([N+]([O-])=O)c1)CC(=O)Nc2ccc(cn2)F	1114
+C(=O)(c1ccc(nc1)NC(c2cnc(Br)cc2)=O)O	1
+c1c(cnc(C(=O)O)c1F)F	1
+c1(cc2c(nc1)CC3(c4cccnc4NC3=O)C2)C(=O)O	1
+c1cc(ccc1Cl)-c2cc(cnc2)C(=O)OC	89
+n1cc(cc(c1)-c2nnc(CCl)o2)Br	2145
+c1c(Cl)n(CC(O)=O)nc1Cl	3
+c1cc(ccc1O)CNc2c(ncc(n2)Br)N	941
+c1(c(ncc(Br)n1)N)C#Cc2cccc(c2)O	2350
+C1CC(CCC1)c2nc(ccc2F)C(=O)O	1676
+c1c(nc(cc1)C(=NOCCC=O)C)C	24
+c1(N)cccc(-c2ccnc(n2)NCCc3ccc(c(OC)c3)OC)c1	0
+c1cc(ccc1CCNc2cc(nc(Cl)n2)C(OC)=O)OC	40
+c1cc(cc(CCNC2CCCc3nc(ccc23)C#N)c1OC)F	5036
+c1ccccc1Nc2ccc3c(nc(N)cc3)n2	201
+c1c2nc(CO)cn2c(cc1)F	1125
+c1c2c(cc(c1)CNc3c4ccccc4nc(c3)C)N(c5c(nccn5)S2)COC	1731
+c1cc(ccc1CNc2c3ccc(-c4cc(ncc4)C)nc3ccn2)-c5ccnc(c5)C	2791
+c1cc(cnc1C(=O)O)-c2ccc(cn2)C#N	1
+c1cc(ccc1OC(OC2CN(CC2)c3cnc(cc3)C(N)=O)=O)[N+]([O-])=O	405
+c1cc(ccc1OC)CNc2ncc3c(c(ncn3)Nc4ccc(c(Cl)c4)Br)c2	182
+c1cc(ccc1OC)CNc2ncc3c(c(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)ncn3)c2	182
+c1cc(ccc1OC)CNc2ncc3c(c(Nc4ccc(c(Br)c4)F)ncn3)c2	182
+c1c(nccc1)CN(Cc2ccccn2)CC(NC3C(=O)N4C3SCC(COC(C)=O)=C4C(O)=O)=O	127
+c1cc(ccc1)N2C(=O)C(=C3COCCN23)C(=O)Nc4cc(c(Oc5ccnc(c5)C(N)=O)cc4)F	1349
+CCC(CO)Nc1ccncn1	511
+n1c2n(cc(Br)c1)cc(-c3c(Cl)ccc(NC(c4oc(cc4)C)=O)c3)n2	1129
+CC1(C)Cc2c(cc3c(oc(CC)c3)c2C(OC)=O)O1	1658
+c1cc(ccc1N(C)C)C(c2ccc3c(c2)cc(o3)CCN4C(C)CCC4)=O	705
+c1cc(ccc1C(=O)c2c(oc3ccc(cc23)F)CC)OC	3102
+c1(C)cc(N2CCNC2=O)sc1C(OCC)=O	10681
+c1(CCC)cc2CCc3ccccc3-c2cc1	165
+c12-c3c(cccc3)C(c1cccc2)COC(N4CCC(CC4)(c5ccc(cc5)Br)C(=O)O)=O	613
+c1cc(ccc1)C(c2ccccc2)=Nc3cc4c(cc3)-c5sc(cc5CCO4)C(N(C)c6c(Cl)cccc6)=O	2017
+c1ccc2C(=O)N(C(=O)c2c1)C3C(CCC3)OCc4ccccc4	149
+c1c2c(ccc1)C(=O)N(C2=O)CC(NCc3ccccc3)=O	9
+N1C(O)c2cc(F)c(cc2C1=O)F	5025
+C(C(=O)OC)C1c2ccccc2C(N(C)c3c1ccc(c3)O)=O	173
+c1c2C(CC(=O)OC)c3ccccc3C(N(C)c2cc(OCCCCNc4ncccc4)c1)=O	174
+c1c2C(c3ccccc3C(N(C)c2cc(OCCCCNc4ncccc4)c1)=O)CC(=O)O	4
+C1C(O)c2cnn(C)c2CC1	4242
+c1-2ccccc1N(CC)C(c3cc(cn-23)C=O)=O	200
+Fc1cc2c(NCC2)cc1F	15
+C1(CCN(C1)C)C2Cc3ccccc3C=C2	15
+c1c2CC(C3C(N(C)CC3)=O)C=Cc2ccc1	1781
+c1c2CC(Nc2ccc1C(c3cccc(NC(=O)c4cc(C)nn4CC)c3)=O)=O	187
+c1c2CC(Nc2ccc1C(c3cc(N)ccc3)=O)=O	0
+c1c2CCC(Cc2ccc1C(=O)OC)O	100
+c1cc(ccn1)OC2CCc3cc(ccc3C2)C(OC)=O	1372
+Ic1c2c(ccc1)nc(cc2)NC3CCc4ccccc34	554
+c1ccc2c(ccc(n2)NC3CCc4ccccc34)c1[N+]([O-])=O	554
+c1c2CCCC(N(C)Cc3nc4c(cccc4)n3CC(=O)O)c2ncc1	4
+c1c2CCCC(c2ccc1OCCn3ccnc3)=O	871
+c1cc(ccc1C=C2CCc3c(C2=O)ccc(OCCn4cncc4)c3)C(=O)O	1103
+c1ccccc1CC(C(OCc2ccccc2)=O)CC(N3Cc4cscc4C3)=O	731
+c1ccccc1S(=O)(=O)c2cnc(CNC(N3Cc4c(C3)n[nH]c4)=O)cc2	468
+O1COc2cc(O)c(cc12)C3C(=O)N(c4ccccc34)CC(=O)OCC	462
+c1cc(ccc1C#Cc2cc3c(cc2)N=C(CC(=O)N3)c4cccc(c4)C#N)OC	129
+c1c2NC(CCc2cc(c1)C=CCCCl)=O	2576
+c1cnccc1-c2c3c(NC4CC4)nc(nc3n(S(=O)(=O)c5ccc(cc5)C)c2)Nc6cc7c(NC(CC7)=O)cc6	55
+c1cc(cc2CCC(Nc12)=O)CCCl	165
+c12ccc(O)nc1ccc(c2)C=CCCCl	10682
+c1cc(CO)cc2CC(Nc12)=O	49
+c1c2NC(Cc2cc(-c3cnco3)c1)=O	2288
+c1c2NC(Cc2cc(C(=O)O)c1)=O	1
+c1cc(cc2CC(Nc12)=O)CCCl	165
+c1c2c(ccc1Oc3nc4c(s3)cccc4)cc(CO)[nH]2	398
+c1ccccc1NC(=O)c2c(Cl)cccc2N	1768
+c12Oc3cc(C(=O)O)ccc3C(=O)c1cccc2	1
+c1nc(ccc1C(Nc2ccccc2N)=O)NCCNC(=O)c3c(c([nH]c3C)C=C4c5c(cccc5NC4=O)C)C	56
+c1c2c(ccc1)C3C(OCC(=O)N3)C2	467
+c1c2c(C(Nc3nc(c(Br)nc3C)C)C(O)C2)ccc1	5040
+c1c(c(OC)cc(c1N)CCNCCCN(C2Cc3c(ccc(c3)OC)CC2)C)OC	15
+c1c2c(CC(N(CCCNC(=O)Cc3c(N)cc(OC)c(OC)c3)C)CC2)cc(c1)OC	0
+c1cc(ccc1OCc2ccc3c(n2)cccc3)Cn4c5c(c(CC(OC)=O)c4)cccc5	962
+c1cc(ccc1CN2C(C3(Cc4c(cc(cc4)[N+](=O)[O-])C3)NC2=O)=O)OC	10683
+c1c2c(CCCN(CCCN)C)c[nH]c2ccc1	51
+c1cc(ccc1)C(=O)NCCCN(CCCc2c3c(cccc3)[nH]c2)C	93
+c1c2c(CCCNCCOc3c(c(N)ccc3)N)c[nH]c2ccc1	0
+c1c2c(CCCO)c[nH]c2ccc1	88
+C1CC(CCN1C)c2c3c(cc4c(N(CC4)C(C)=O)c3)[nH]c2	671
+c1c2c(CCN3CCN(c4sc(C(O)=O)c(n4)C)C3=O)c[nH]c2ccc1	6
+c1c2c(CCN3CCN(c4nc(c(s4)C(=O)NCc5cnccc5)C)C3=O)c[nH]c2ccc1	454
+C1Cc2c(cccc2Br)C(N1C(=O)c3nn4c(ncc(c4)Br)c3)C	147
+C1Cc2ccccc2C(c3ccccc13)=C4CCC(CC4)N	102
+c1c2c(CCc3ccccc3C2CC(CN)O)sc1	18
+c1ccccc1CON2c3c(ccc(-n4cncc4)c3)NC(=O)C2=O	4761
+O=C1c2c(C(=O)N1Cc3ccc4c(c3)N(COC)c5c(nccn5)S4)cccc2	2397
+c1cc(ccc1)N2C(CCc3c2cccc3)=O	2331
+C(C[N+](=O)[O-])c1ccc2c(c1)NC(=O)C(C)O2	364
+c1c2C=C(C(O)=O)CCOc2ccc1	127
+c1(ccc(Br)c(Cc2cc3c(OCCO3)cc2)c1)I	394
+c1cc(ccc1C(Cn2c3c(c4cc(ccc24)C)CN(CC3(CC=C)C)C)=C)F	10684
+c1ccccc1C#Cc2ccc(OCCC)c(C(NC(CO)Cc3c[nH]c4ccccc34)=O)c2	14
+c1cc(ccc1)COC(n2c3c(cccc3)c(CC(O)=O)c2)=O	1825
+c1cc(ccc1Br)-c2cnc(nn2)NNC(Cc3c[nH]c4ccccc34)=O	355
+c1c2c(CCCNC)c[nH]c2ccc1	15
+c1c2c(CCCOC)c[nH]c2ccc1	21
+c1c2c(COC2)c(C(=O)O)nc1	1
+C(OC(CCc1c2ccc(cc2sc1)OCCc3nc(NC)ccc3)=O)C	126
+c1c2nc(cc(Cl)c2ccc1OC)CO	453
+c12c(cccc1)c(nc(OCC)c2)Cl	174
+c1cc(ccc1OC)N2C=Cc3cc(ccc3C2=O)OC	10685
+c12ccc(Br)cc1c3c(ccc(Br)c3)n2CC(O)CCNc4ccccc4	10686
+c1cc(ccc1S(=O)(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)O)F	592
+c1ccccc1COC(NC(C(OCC)=O)CCC(NC(C(O)=O)Cc2c[nH]c3ccccc23)=O)=O	188
+C(CCC1Cc2c(ccc(Br)c2)C1)CCCCC	165
+c1cc2c(cc(Br)cn2)cc1COC	49
+C(CCCCCCCC)Cc1ccc2c(cc(cc2)OC)c1	213
+c1cc2c(cc1O)cc(C#N)cc2	5
+c1cc(ccc1Cn2c(cc3ccccc23)CN(C)C(c4ccc5c(CN(C(C(N5)C)=O)C)c4)=O)O	30
+c12c(CCC1)cc3c(c2)C(=O)OC3=O	3112
+c1c2c(ccc(C)c2)[nH]c1C#N	331
+c1cc2c(cc(C)n2C)cc1CO	98
+c-12c(NCCc3nncn-13)cccc2	15
+c1(ncccc1)C2=C(C(C)N)N=C3N(C(=CC=C3)C)C2=O	1764
+C1(c2ccccc2C(=O)N1C(c3cnc4ccccc4c3-c5ccc(cc5)F)C)=O	699
+c1ccccc1C=2c3c(-n4c(nnc4CN=2)CCN)ccc(F)c3	45
+[N+](c1cc(CN)c(Br)c(C)c1)([O-])=O	45
+CCCN(CCC)CCCCC1C(OC)c2ccc(cc2C1)CN	45
+CCN(C)Cc1cc2c(F)cccc2nc1CN	45
+c1cc(ccc1OC)N(c2nc(CN)nc3ccccc23)C	45
+c1ccccc1C=2c3cc(ccc3-n4c(CN=2)ncc4)Br	4926
+CN(C)S(=O)(=O)c1cc(OC)c(cc1)N	2505
+c1nc(ncc1)Cn2nc(N)cc2Br	1131
+c1cccc2CC(Cc12)(c3c[nH]cn3)CO	44
+c1c2c(C(Nc3nc(c(nc3CC)Br)C)C(O)C2)ccc1	5040
+c1cc(ccc1S(=O)(=O)OCC2COc3ccccc3C2)C	36
+c1c2c(C(C(C2)O)CO)ccc1	95
+c1c2CC3CCC(N)(CC3Cc2ccc1)CN	51
+c1c(cc(c(c1)C2c3c(cccc3)N(CCCCC)C2=O)O)Br	462
+NCCN1C(Nc2ccccc12)=O	18
+c1cc(ccc1-c2cc3c(ncnc3N4CCc5ccccc45)[nH]2)[N+](=O)[O-]	5041
+c1cc(ccc1)S(=O)(=O)N2CCc3ccccc23	416
+[O-][N+](c1cn(nc1)CCCN2c3c(cccc3)CC2)=O	713
+c1cc(ccc1-c2cc3c([nH]2)ncnc3N4CCCc5c4cccc5)[N+](=O)[O-]	5041
+c12c(N3CCCc4ccccc34)ncnc1ccc(I)c2	860
+c1c2c(cc(CCc3cccc(F)c3)cc2)ccc1	1442
+c1c2c(ccc1)cc(C=Cc3cccc(F)c3)cc2	3158
+CSc1cc2ccccc2cc1O	5
+c1cc(ccc1Cl)S(=O)(=O)Nc2c(Cl)nc3c(cccc3)n2	10687
+c1c2c(ccc1)nc(o2)N3CCCCC3C(O)=O	4
+c1cc(ccc1OC)C(c2ccc(cc2)OC)(OCC(CNc3c4ccccc4nc5c3cccc5)O)c6ccccc6	604
+O=C(O)c1c2c(n(c1)-c3c4ccccc4ncc3)cc(cc2)OC	1
+c1cc(ccc1F)C(=O)Nc2c(nc(Nc3c4ccccc4ncc3)s2)C(N)=O	3154
+c1cc2c(cc1CCBr)CCN2C(=O)C	165
+c1cc(ccn1)C(Cn2c3ccc(cc3c4CN(CC=C)CCc24)C)O	2695
+n1c(COC(CCCCC)=O)nc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)cc1	185
+n1c(c2ccncc2nc1Oc3cc4c(cc3)n(cc4)C)O	5042
+c1nc(ccc1C#N)OCCCOc2ccc3n(ccc3c2)C(C)C(=O)OC	20
+c1c2c(ccc1OC(SC)C(=O)O)ncc(c2)Br	4
+S(c1[nH]c2c(ccc(OC)c2)n1)Cc3cccc4CCCN(C)c34	3089
+c1cc(ccc1F)-c2c3c(cc(OC)cc3)cc(n2)Nc4ccn[nH]4	140
+c1c2c(ccc1OC)c(Cl)ncc2	174
+c1cc(ccc1C(OC)=O)-c2cc3c(nc2)cc(cc3)OC	89
+c1c2c(ccc1OC)cc(c(n2)-c3ccsc3)C(=O)O	1
+c1(C(=O)O)cnc2cc(OC)ccc2c1	6
+c1c2c(ccc1OC)nc(Cl)c(C#N)c2	1453
+C(Sc1cnc2ccc(cc2c1)OC)C=O	24
+c1c2c(ccc1O)ncc([N+]([O-])=O)c2	5
+c1c2c(ccc1O)ncs2	5
+c1cc(ccc1N)CCNc2ncnc3c2ccc(OCCCCl)c3	40
+c1c(Oc2nc3c(s2)cccc3)ccc4cc(C=O)[nH]c14	178
+C(Cc1c(C)ccc2c1cccc2)(O)C	100
+c1c2c(cccc2)c(c(C)c1)CC(C)=O	10688
+c1ccccc1Cn2c3cccc(c3cc2CC)OC	190
+c1cc(c(cc1Cn2c(C(=O)OCC)cc3c2cccc3N)Cl)Cl	0
+c1c2c(csc2ccc1)C=Cc3ccc(s3)CO	1364
+c1cc(ccc1Cn2nc(c3ccccc23)CC(=O)OCC)[N+](=O)[O-]	823
+c1cc(ccc1Oc2nc3cnccc3c(n2)O)N(CC4c5ccccc5CCC4)C	5042
+c1cc(ccc1CNc2ncc3c(c2)c(ncn3)Nc4cc(Br)c(Br)cc4)OC	182
+c12c(cccc1)C(=O)N(C2=O)CCCCc3oc4c(ccc(c4)C(=O)OCC)c3	966
+c1ccccc1CCNc2ncnc3sc(cc23)C(OCC)=O	1108
+c1cc(ccc1)Cn2c(c3c(n2)c4c(cc5CCCCc5c4)nc3O)C	4783
+c1(O)cc2c3ccccc3c4c(cccc4)c2cc1	5
+c1cc(ccc1F)-n2ncc3cc(I)c(C)cc23	1708
+c1ccccc1COc2c3c(cccn3)c4C(CCl)CN(C(=O)c5[nH]c6c(c5)cc(OC)cc6)c4c2	2677
+Nc1c(N)nc2ccc(cc2c1)OC	13
+n1ccccc1NCCCOc2cc3cc([nH]c3cc2)CC(C)C(OC)=O	126
+c12c3c(CCn3cc1)ccc2	4762
+c12cc(Oc3ccnc(n3)Cl)ccc1[nH]cc2	185
+c1c2ccc(-c3c(Cl)cc(C#N)cc3)nc2ccc1O	274
+c12c(cccc1)ccc(c2)OCCCCCCCCCl	450
+c1nc(ncc1COc2ccc3c(ccc(O)n3)c2)Nc4ccc(cc4)Cl	2171
+c1c2ccc(nc2ccc1O)C(=O)O	5
+c1nc(cc2c1cccc2)CCN	18
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCCO)c1	44
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCC=O)c1	24
+n1(Cc2noc(-c3sc(Cl)cc3)c2)c4ccccc4cc1C(=O)O	1
+c1c(CO)c2c(CCCN2)cc1	1352
+O(c1cc2cccnc2cc1)c3ncnc(Cl)c3	185
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCN(CC3)CC(COc4cc5cccnc5cc4)O)=O	170
+C(c1c(ccc2ncccc12)O)C=C	4053
+c1cc(ccc1N2CCN(CC2)C)Nc3ncc4cccc(c4n3)Br	744
+c1c2n(CC)cc(c2c(cc1F)O)CC(=O)O	4
+c1ccccc1COc2c3nc(-c4n5ccc(cc5nc4)OCCOC)ccc3ccc2	10689
+c1c2n3c(c4cc(O)ccc4c2ccc1)ncc3	5
+c1ccccc1COc2ccc(cc2F)-n3c4cc(F)cc(c4cn3)Br	1708
+c1c2nc(C(=O)O)cn2c(Cl)cc1	6
+c1cc2nc(oc2cc1CO)C	98
+c1c2ncc(n2ccc1OCCOC)C(=O)O	6
+c1cc(ccc1)Nc2c3c(cccc3)ncc2	179
+c1c(cc2nccc(Cl)c2n1)O	390
+c1cc(ccc1Oc2c3c(ncc2)cc(cn3)OC)N	10690
+c1c2nccc(c2ccc1OCCO)-c3c4n(nc3-c5ncccc5)CCC4	168
+C1Cc2ccc(OC)cc2NC1	1352
+c1c2ncn(-c3cc(c(C(=O)O)s3)OCc4ccccc4C)c2ccc1	1
+c1ccccc1CNC(=O)c2sc(-n3cnc4ccccc34)cc2OCc5ccccc5C	227
+c1c2ncn(c2ccc1)-c3sc(C(CCCC)O)cc3	2389
+c12c(ncnc1cc(OC)c(c2)O)O	5
+C(F)C(CF)(C)c1cc(NC(Nc2cc(Sc3ncnc4cc(OC)c(cc34)OC)ccc2)=O)on1	446
+c1ccccc1-n2c(NC(=O)Nc3cc(Sc4ncnc5cc(OC)c(cc45)OC)ccc3)cc(CC)n2	446
+c1cc(ccc1F)CC(c2cccc(S(=O)(=O)C)c2)C(Nc3nc4c(cccc4)o3)=O	10691
+c1(nccc2OCOc12)CO	813
+c1cc(ccc1)-c2nn3ccc(cc3c2C(C)=O)OC	10692
+c1cc(ccc1F)COc2cc[n+](cc2)[O-]	1210
+c1cc(-c2oc(-n3c(ncc3)C)nc2CCCCO)c4c(cccc4)c1F	44
+O=C(CNC(=O)c1c2c(cc(-c3cc(F)c(cc3)F)c1O)nc(cn2)-c4sccc4)O	3
+C(c1c(c(cc2c1ncc(n2)-c3sccc3)-c4cc(F)c(cc4)F)O)(O)=O	1
+c1(-c2cn3CCCCc3n2)cc(OC)c(-c4ncccc4)cc1	3035
+c1cc(ccc1F)C(O)Cc2cc(ccc2OC)-c3cccs3	3151
+c1cc(-c2oc(-n3c(ncc3)C)nc2CCCCOc4c(C)cccc4)c5c(cccc5)c1F	20
+c1cc(-n2cnc(CO)c2)ncc1Br	1125
+c1(ccc(Br)c(Cl)n1)C(=O)OC	174
+c1ccccc1Oc2c([N+](=O)[O-])c(OC)ccc2Br	46
+C(O)c1c(ccc(CBr)c1)Br	49
+c1cc(ccc1)CN2CCC(C2)Oc3c(Br)ccc(F)c3	20
+c1cc(ccc1Oc2c(ccc(F)c2)Br)C=O	46
+c1cc(Br)c(CO)cc1I	49
+c1cc(Br)nc(C(=O)O)c1OC	1
+c1cc(Br)nc(c1OCCCBr)N	161
+Nc1c(nc(cc1)Br)Nc2ccnc(Cl)c2	13
+c1cc(ccc1OCCN(CC)CC)C#Cc2ccc(Br)cn2	943
+c1cc(ccc1CO)CCC#Cc2ncc(Br)cc2	769
+c1cc(ccc1Nc2ccc(cn2)Br)Cl	1759
+c1cc(ccc1OCCN2CCCC2)C#Cc3ccc(Br)cn3	943
+c1ccccc1COc2ccc(-c3ncc(cc3)Br)cc2F	119
+c1c(Cn2ccnc2)cnc(c1)Br	10693
+c1c(c(C#N)cc(CO)c1)C#N	10694
+c1(C)c(ccc(C#N)c1)O	173
+c1c(OCCO)c(N)cc(C#N)c1	0
+c1cc(c2NC(=O)Sc2c1C(=O)C)O	5
+CCCCCCCCCCCCc1sccc1	2501
+c1cc(ccc1NC(=O)c2cc3c(cc2)cccc3)Cn4c5c(c(n4)CC(=O)OC)cccn5	50
+C(CNC(c1ccc2ccccc2c1)=O)CCN3CCN(c4c5c(cc(F)cc5)sc4)CCC3	93
+c1cc(cc(c1)-c2nnc(o2)-c3cc(OC)ccc3)I	1782
+c1cc(CO)cc([N+]([O-])=O)c1OCC	49
+C1CCCCN1S(=O)(=O)c2ccc(cc2)CNC(=O)c3ccn4nccc4c3	14
+c1cc(ccc1C(=O)Cn2c(ccc2C(=O)OC)Br)OC	10695
+c1cc(c(cc1I)OC)C(=O)O	1
+c1cc(C(=O)O)cc2OC(=S)Nc12	1
+OCc1ccc(cn1)C(=O)OC	398
+c1cc(C(=O)c2c(C)n(c3ccccc23)CCNc4ccc(c(O)c4)C(OC)=O)c5c(cccc5)c1	5
+c1cc(c2c(c(C)co2)c1OC)C(=O)c3sccc3	10696
+c1cc(C(=O)c2sccc2)c3oc(C(=O)O)c(c3c1OC)C	6
+OC(C#CC(c1ccc2c(OCO2)c1)=O)=O	10697
+c1c(cc2OCC(c2c1)=O)F	702
+c1ccccc1-c2ccc(cc2)NC(c3ccc(OC)c([N+]([O-])=O)c3)=O	50
+c1c(OCCOC)c(N)cc(C(Nc2c(C(=O)N)nc(s2)Nc3cc(F)ncc3)=O)c1	0
+c1ccccc1COC(Nc2c(cccc2)CCc3c(C(O)=O)cccc3)=O	90
+s1c(Nc2c(C)cccc2)nc(C=O)c1	1348
+c1cc(C)c(cc1)C(c2ccccc2C)N3C=CC=C(C(=O)O)C3=O	127
+c1cc(ccc1NC(Nc2c(C)cccc2)=S)-c3ccc4C(=O)N(Cc4c3)C(C(OC)=O)C(C)C	10698
+c1(oc2c(c1)cc(C)cc2)C(=O)OCC	5043
+c1(ccc(C)n1-c2nc(c(OCc3ccccc3)c(C)c2)C)C	483
+c1ccccc1CCc2nc(cc(C)c2)-n3c(ccc3C)C	10699
+Cc1cc(nc(c1)CCc2cc(C#N)cc(c2)NCCc3ncccc3)N	899
+c1c(F)c(c(cc1-n2c(ccc2C)C)F)C3=CCSCC3	252
+c1cc(ccc1F)COc2ccc(c(c2)F)-n3c(ccc3C)C	669
+c1ccccc1COc2cc(OC)c(cc2CC)-c3cccc(-n4c(ccc4C)C)n3	119
+c1cc(ccc1OC(=O)OCc2cnc(C)cc2)[N+]([O-])=O	10700
+c1cc(C)ncc1CO	88
+c1cc(cc(N)c1OC)C=CCO	2219
+c1cc(CC[N+](=O)[O-])cc(C)c1OC	364
+[O-][N+](CCc1cc(c(OCc2cccc3ccccc23)cc1)OC)=O	364
+c1cc(ccn1)-c2cn3c(c(N4CCOCC4)cc(NN=Cc5cccc(C(C)CCCC)c5)n3)n2	878
+c1cc(ccc1-c2c(ccc(CC)c2)OC)OC	2256
+c1(ccccc1Oc2cc(ccc2OC)CC)C	304
+Nc1c(cc(CC)cc1)C(=O)O	5044
+c1cc(cc(Br)c1OC)CCN2C=CC=CC2=O	10701
+c1ccccc1C(c2ccccc2)(C3CN(CC3)CCc4cc5c(cc4)CCC5)C(=O)N	28
+CCn1c(cc(C)n1)CCCNC(=O)CCc2ccc(C)c(C)c2	9
+c12cc(OC)c(cc1CCC2=O)CCCCCC	214
+c1c(cc(Oc2ccc(CCC(OCC)=O)c(C)c2)c(C)c1)O	5
+N1c2cc(ccc2CCN(C)CC1=O)F	1089
+c1cc(cc(C)c1OC)CCN	157
+c1cc(ccc1)SCCCOc2c(c(Cl)c(O)nn2)NCc3cccnc3	4341
+c1cc(ccc1C(CCC(NCc2cccnc2)=O)=O)Oc3ccc(c(c3)CC)OC	9
+c1ccccc1CCCc2cn(nn2)-c3sc(C(NCc4cnccc4)=O)c(C)n3	454
+c1cc(CN2C(C=3C(=C(N(CCCCNC)C(C=3O)=O)C(O)=O)CC2)=O)cc(Cl)c1F	127
+c1cc(CN2C(=O)C=3C(=C4C(=O)N(C)CCCCN4C(=O)C=3O)CC2)cc(Cl)c1F	10702
+c1cc(CNc2nc(SC)ncc2CO)cc(Cl)c1OC	897
+n1cccnc1CNC(=O)c2c(NCc3ccc(c(c3)Cl)OC)nc(nc2)SC	484
+c1cc(CNc2nc(SC)ncc2C=O)cc(Cl)c1OC	1195
+c1ccccc1CSc2nc(c(C(=O)OC)c(n2)NCc3ccc(c(c3)Cl)OC)Cl	1721
+c1cc(CO)cc(c1)CC(O)=O	3
+c1(C=O)ccc(OC)c(CCCCCC)c1	39
+c1c2NC(Cc2cc(C=O)c1)=O	39
+c1(cc(Br)c(Cl)cc1)C=O	39
+c1cc(ccc1OC)C(=O)c2cc(I)ccc2Cl	222
+Nc1c(Cl)ccc(CO)c1	0
+c1cc(Cl)c(N)cc1I	0
+c1cc(Cl)c(c(Cl)c1OC(C)C(=O)O)C	3
+c1cc(Cl)c(N)c(c1OC)Cl	0
+c1cccc2c1n3c(-c4cc(ccc4Cl)Cl)nc(C)c3c(n2)C	10703
+C(OC(C1c2c(n(CCF)c3cccc(OC)c23)CCC1)=O)C	2207
+c1cc(Cl)nc2c1NCC2	15
+c1(cc2C(CCCc2cc1Br)=O)F	214
+c1cc(ccc1N2C=CC=C(F)C2=O)-n3cc(nc3)CNC(c4sc(cc4)Cl)=O	10704
+c1cc(F)c(c(F)c1OCc2nc3cc(ccc3s2)CCC)C(=O)N	732
+O=Cc1c(OC)c(ccc1F)O	5
+c1c(C(=O)O)ccc(F)c1OCC	6
+c1cc(ccc1)CNc2c(ccc(c2)C3C(C(OCC)=O)C3)F	250
+c1cc(F)cc(N2C(SCC(=O)OCC)=Nc3scc(c3C2=O)-c4ccccc4O)c1	5
+O=C1C=CC=CN1c2ccc(I)c(F)c2	3044
+c1ccccc1-c2sc(CCCOC)c(n2)C(=O)Nc3ccccc3-c4nc5c(nccc5)s4	10705
+c1cc(ccc1C)-c2ccccc2N	134
+[nH]1c(-c2nccnc2N)nc3c1cccc3	10706
+c1cc(ccc1-c2n(c3c(n2)cccc3)C)NC	3226
+CCN1C(Nc2ccccc12)=O	1019
+CN(C)C(Cc1c(N)cccc1)c2c(ccs2)C	695
+c1cc(ccc1)C=CC(Nc2ccccc2F)=O	324
+c1ccccc1NC(=O)Nc2ccc(cc2)Oc3ncnc(Nc4c(cccc4)F)c3	73
+c1ccccc1Oc2ccccc2Cn3nc(C(Nc4c(F)cccc4)=O)cc3	772
+c12-c3c(cncn3)CCCc1[nH]cc2C(Nc4c(cccc4)F)=O	10707
+c1cc2c(Nc3cc(n(c3C(N2)=O)C)C)cc1	10708
+c1cc(N2C(CCC2)c3cc(cc(F)c3)OCCOC)nc4c(cnn14)C(=O)O	6
+c1cc(N2C(CCC2)c3cc(ccc3F)F)nc4c(cnn14)C(=O)O	6
+c1cc(N2C(CCC2)c3nc(O)ccc3)nc4c(cnn14)C(=O)OCC	104
+c1cc2N3C(CCC3)c4nc(OCCCNC(c5cnn1c5n2)=O)ccc4	1339
+c1cc(N2C(CCC2)c3nc(ccc3)OCCCN)nc4c(cnn14)C(=O)O	6
+c1cc(N2C(Nc3c(OC)c(c(c(F)c23)F)N)=O)c(F)cc1I	0
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(cnn14)C(=O)O	6
+c1cc(N2C(c3cc(F)cnc3)CCC2CO)nc4c(cnn14)C(=O)O	6
+N(C)C(COC(=O)N1CCCN(c2ccc(Br)cn2)CC1)=O	1011
+c1cc(ncc1Br)N2CCOC2=O	10709
+c1c(OC)c(Br)cc(N)c1	106
+c1cccc2C(=O)N(C(=O)c12)CCN(CCOc3c(F)nccc3)CC	1286
+c1cc(ccc1OC)CN(S(=O)(=O)c2cccc(Oc3cc(-c4ncnc5c(cccc45)Cl)c(cc3)Cl)c2)C	304
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4ccccc34)(c5cc(c(F)cc5O)F)O)=O	1115
+c1cc(ccc1Cl)-c2cnc(Oc3cnccc3)nc2-c4c(cc(Cl)cc4)Cl	3863
+c1cc(ccc1)Sc2cnc(cc2)O	10710
+c1cc(ccc1Cl)CN2C(=O)C=CC(Br)=C2	4659
+c1c(c(C)cc(c1)O)OCC(OCC)=O	173
+c1c(c([N+]([O-])=O)cc(c1)O)OC	173
+c1cc(cc(N)c1OC)OC(OCC)=O	0
+c1cc(ccc1C(c2ccc(OC)c(c2)F)=O)Br	1217
+c1ccccc1CNC(=O)c2cc(Br)ccc2OC	14
+c1ccccc1COc2c(ccc(Br)c2)OC	22
+c12c(CCC1)c(ccc2OC)OC	165
+c1ccccc1Oc2ccc(F)cc2NCc3c(OCCOC4OCCCC4)ccc(c3)OC	208
+c1ccccc1COCCCN2C(Nc3c(cc(OC)cc3)C2=O)=O	10711
+c1c(cc2c(oc(c2N)C(=O)N)c1)Br	10712
+C1(Nc2c(OC1)ccc(OCCBr)c2)=O	2729
+c1c(c(c(cc1)N)C#N)OCCCCCCCCOC(=O)C	0
+c1cc(OC=C)c(Cl)cc1Br	5034
+C(COc1c(OCCOC)cc(CO)cc1)OC	98
+S(c1cnc(Cl)cc1)c2c(F)cccc2	10713
+n1cc(N)c(cc1)CCOc2ccc(c3ccccc23)N	0
+N(c1cc(CCOc2ccc(c3ccccc23)N)ccn1)C(C)=O	0
+O=[N+](c1ccc(Cl)nc1Nc2c(Cl)cc(OC)c(OCc3c(F)c(ccc3OC)F)c2)[O-]	201
+c1cc(ccc1)C(CC(OCC)=O)Nc2nc(Cl)ccc2[N+](=O)[O-]	70
+Nc1ccc(Cl)nc1N	13
+C(c1ccc([N+]([O-])=O)c(c1)F)C(=O)O	4
+n1c(Cl)c2c(nc1Nc3cc(ccc3[N+]([O-])=O)F)N(C4CCOc5c(F)cccc45)C(=O)N2	490
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c(n(C4CCCCO4)nc3)cc2C(=O)O	6
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(=O)O)s3	1
+c1c(Oc2c3c(ncc2)cc(S(=O)C)s3)c(F)cc(N)c1	0
+c1cc(ccc1-c2sc3c(nccc3Oc4ccc([N+]([O-])=O)cc4F)c2)CO	4982
+c1c(Oc2cc3c[nH]nc3cc2)c(F)cc(N)c1	0
+c1c(Oc2cnc(O)cc2)c(F)cc(N)c1	0
+c1cc([N+]([O-])=O)cc(F)c1Oc2cnc(O)cc2	104
+c12cc(-c3cc(ccc3)[N+]([O-])=O)ccc1c(cn2-c4ncnc(c4)Cl)Br	2186
+c1c2c(ccc1-c3cc(N)ccc3)ccn2-c4ccnc(n4)N	0
+c1c(NC=2C=3C(=O)N(CC=C)N=C(c4cc(N)ccc4)C=3N(C(=O)C=2Cl)C)c(F)cc(I)c1	0
+c1ccccc1N2N=C3C(CCc4ccc(cc34)[N+]([O-])=O)CC2=O	10714
+c1c2c(OCCN2)cc([N+]([O-])=O)c1	15
+c1cc(ccc1)COC(=O)N(CCCN2C(=O)COc3cc([N+]([O-])=O)ccc23)c4cccc[n+]4[O-]	10715
+C1CC(n2nc(c3cc(N)ccc23)-c4[nH]c5c(cccc5)n4)OCC1	0
+c1cc(ccc1)COC(Nc2ccc(cc2)Oc3cnc(cc3)[N+]([O-])=O)=O	706
+c1ccccc1CNc2ccccc2-c3[nH]c(c(c3)C(N)=O)C	208
+c1cc(c(-c2coc(n2)CCCC(=O)O)cc1)N	4
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccccc3-c4sc(CC(OC)=O)cc4)=O)c2	50
+c1ccccc1CC(NC(=O)c2cccnc2-n3cc4ccccc4n3)C(O)C(=O)OCC	56
+c1cc(c(-n2cc3c(cccc3)n2)nc1)C(=O)O	6
+c1cc(c(cc1Br)COC)OCc2cccs2	49
+C=1c2c(c(C(=O)OC)cc(I)c2)OC(C=1)C	1318
+c1ccccc1C#Cc2cc(C(=O)OC)c(OCCC)cc2	129
+c1cc(ccc1F)C(O)c2c(C)cc(cc2)F	257
+c1cc(ccc1)Oc2cc(C)c(cc2)[N+](=O)[O-]	46
+c1cc(ccc1C)S(=O)(=O)Nc2c(C(OC)=O)cc(cc2)Oc3cc(C)c([N+](=O)[O-])cc3	46
+c1cc(ccc1C=O)Oc2cc(c([N+](=O)[O-])cc2)C	46
+n1(-c2ccc(c(C)c2)[N+]([O-])=O)ccnc1	431
+c1cc(c(C)nc1C)OCCOc2cc3CCC(CC(=O)O)c3cc2	3
+c1cc(c(cc1Br)CN(c2ncc(cc2)C(=O)OC)CC)OCc3cccs3	5045
+Nc1c(C(=O)O)c(c(cc1)[N+]([O-])=O)CC	5044
+c1cc(ccc1OCc2cc(Cl)c(cc2)Cl)C=O	139
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(N(S(=O)(=O)C)c4ccc([N+]([O-])=O)c(Cl)c4)cc3o2)C5CC5	3058
+c1cc(ccc1-c2ccc(c(Cl)n2)C#N)N	140
+c1c(Cl)nc(Cl)c(C(C)O)c1	652
+c1ccccc1Nc2c(ccc(Cl)n2)C(O)=O	201
+c1cc(c(F)c(Nc2c(F)cc(cc2)CCCO)c1C(=O)NOCCO)F	213
+c1cc(c(F)c(Nc2c(F)cc(C#CCO)cc2)c1C(=O)NOCCO)F	10716
+c1cc(c(F)c(Nc2ccccc2F)c1C(=O)NOCC(CO)O)F	1762
+O=C(c1ccc(cc1C)-c2ccc(c(F)c2)Nc3nc4c(cc(F)cc4)s3)O	1
+c1c(OCCCl)c(I)cc(c1)CCCO	267
+c1(c(N)c(Br)ccc1OC)N	0
+N1c2cccnc2NCC1=O	1530
+c1cc(ccc1Cl)NC(=O)c2c(SCc3c4c(cccc4)ncc3)nccc2	246
+c1ccccc1C(C)(C)c2cc(C(C)(C)c3ccccc3)c(O)c(c2)N=Nc4c([N+]([O-])=O)cccc4	10717
+c1(c2ncccc2ccc1C(=O)c3c(C)cc(F)cc3)[N+](=O)[O-]	335
+Nc1cc(ccc1O)CC(OC)=O	0
+Nc1cc(ccc1O)CCC	0
+n1cnc(Nc2c(Cl)cc(OC)c(OCc3c(F)c(ccc3OC)F)c2)c(c1Cl)[N+](=O)[O-]	73
+c1cc(c(c(F)c1OCC(OCC)=O)NCc2c(c(cc(-c3cc(F)ccc3)c2)C)O)F	5
+c1cc(c(c(F)c1OCC(=O)O)NCc2c(c(cc(-c3cc(F)ccc3)c2)C)C)F	3
+c1cc(c(c(F)c1OCC(=O)O)NCc2c(c(cc(-c3cc(F)ccc3)c2)C)O)F	3
+c1cc(c(c(F)c1OCC(=O)O)NCc2cc(OC)cc(-c3cc(F)ccc3)c2)F	3
+c1cc(C2=CC=C([Se]2)CCC)c(c(F)c1OCC)F	5046
+c1cc(ccc1)COC(N(C)CCCC(=O)Nc2c(N)c(ccc2OC)OC)=O	33
+c1cc(c(c(N)c1OC)N)OC	0
+c1ccccc1COc2c(ccc(C=O)c2Cl)OC	139
+c1cc2cc[nH]c2c(C)c1[N+]([O-])=O	1452
+c1cc(ccc1F)C(C(=O)NN=C2C(Nc3ccc(c(Cl)c23)C(O)=O)=O)C	4857
+c1c2c(c(N)c(Nc3cccc(C#N)c3)c1)cccc2	0
+c1c2c(NC(OCC2)=O)ccc1	10718
+c1cc(c(N2C=CC(Cl)=C(C#N)C2=O)cc1)C	10719
+c1cc(ccc1C(O)c2cc(ccc2OC)Br)Br	257
+c1ccccc1CC(NCc2cc(ccc2Oc3cccc(c3)CC(OC)=O)Br)C	42
+c1ccccc1CNCc2cc(ccc2Oc3cccc(c3)CC(OC)=O)Br	42
+c1cc(c(cc1Br)CN(c2ncc(C(=O)O)cc2)CC)OCc3cccs3	1
+c1cc(c(CO)cc1Br)OCc2cccs2	88
+c1cc(c(cc1C(CCC(=O)N)=NOC)Cl)Cl	5047
+OCC(CCOC1OCCCC1)c2ccc(c(c2)Cl)Cl	237
+c1cc(c(cc1C(CCC#N)=NOC)Cl)Cl	143
+c1cc(c(cc1CN2C(CCNc3nc4c(c(O)c3)cccc4)CCCC2)Cl)Cl	460
+c1cc(c(cc1CN2C(c3cc(N)ccc3N=C2)=O)Cl)Cl	0
+c1cc(c(cc1CN2CCOC(C2)CNC(=O)CSc3scc(n3)CO)Cl)Cl	1171
+n1c(SCC(=O)NCC2CN(CCO2)Cc3ccc(c(c3)Cl)Cl)scc1C=O	1348
+c1cc(c(cc1Cn2c3c(c(c(cc3)OC)O)cc2C(OC)=O)Cl)Cl	173
+c1cc(F)cc(c1C(c2ccc(F)cc2C)=C(C=CC=O)c3n(C)nnn3)C	5019
+C1C(Nc2cc(ccc12)F)=O	1089
+c1cc(c(CO)cc1I)OC	41
+c1ccccc1OCc2cc(ccc2Br)I	139
+C1N(C(=O)c2c(cc(I)cc2)OC)c3c(Cn4c1ccc4)cccc3	610
+Nc1cccnc1NC	13
+c1ccccc1COc2c3NC(=O)Sc3c(cc2)C(C)=O	22
+c12occ(C)c1c(ccc2C(=O)c3sccc3)O	5
+C1C(C)=Cc2cccc(-c3ncccc3)c12	4262
+c1cc(c2c3c(n(c2c1)Cc4c5ccccc5ccc4)cccc3OCC(O)=O)C(=O)N	4
+COc1cccc2nccc(c12)O	3005
+c1cc(ccc1)CNC(=O)N(CC)Cc2cc(-c3cnn(c3)C)ccc2-c4c(OC)ccc(c4)CC(OCC)=O	384
+c1cc(ccc1)COC(N(Cc2c(ccc(c2)[N+]([O-])=O)-c3c(OC)ccc(CC(OCC)=O)c3)CC)=O	66
+c1cc(ccc1)COC(=O)N(CC)Cc2cc(F)ccc2-c3c(OC)ccc(CC(OCC)=O)c3	66
+c1(O)cccc(-n2ncc3c2cccc3)c1	5
+c1cc(CN)cc(Br)c1OC	107
+c1cc(CO)cc(Br)c1OC	49
+c1cc(ccc1CN2C(=O)N(CC(c3ccc(OC)c(c3)Br)=O)C(c4c2sc(c4)CC)=O)-c5c(C#N)cccc5	1833
+c1c(OC)c(Br)cc(c1)O	173
+c1cc(cc(c1OCC#C)C(=O)O)C(=O)C	1
+c1cc(cc(C)c1Oc2cnc(C)cc2)Nc3ncnc4c3C=C(C(=O)O)CCN4	127
+c1cc(CO)cc(CCCCCC)c1OC	98
+Nc1cccnc1Nc2cc(F)c(cc2)C#N	13
+c1cc(-c2cc3nc(cnc3c(C(=O)OC)c2O)-c4sccc4)cc(F)c1F	5
+c1cc(cc(F)c1Oc2cc3c[nH]nc3cc2)Nc4nc(ncc4)N	511
+c12cc(ccc1NC(=O)N2)C	2280
+c1cc(cc(N)c1OC)CCCO	374
+c1cc(ccc1)N2C(C(Nc3ncnc(N)c3C(Nc4cc(ccc4OC)C(N)=O)=O)C)=Nn5ccc(c5C2=O)C	40
+Cc1cc(n[nH]1)Nc2c3ccccc3nc(n2)C(=O)c4cc(c(F)cc4)O	5
+c1cc(cc(OCCCOC)c1OC)C(=O)O	1
+c12ccccc1CC(c3ccc(cc3O2)F)=O	214
+c1c(N)c(ccc1C2=CC(=O)c3ccc(c(c3O2)OC)OC)N	0
+c1cc(c([N+]([O-])=O)cc1CC(OC)=O)O	5
+c1cc(F)cc(N)c1OC	0
+c1(SC)ccc(cc1N)C(Nc2cnc(cc2)-c3ccccc3F)=O	0
+c1cc(cc(c1)-c2ccc(F)c(c2)CNc3c(C#N)c(O)ccc3F)F	5
+C(Oc1ccc(c(c1C)NCc2c(F)ccc(c2)-c3cc(ccc3)F)F)C(=O)O	3
+c1cc(cc(c1)F)-n2c(C(O)=O)c(c3ccccc23)C#N	1
+c1cc(cc(c1)F)-n2c(C(N)C)cc3ccccc23	18
+c1cc(ccc1)COc2c(cc(cc2)C=CC(c3c(O)cc(cc3)OCOC)=O)OCOC	307
+C1CCC(C1)c2c(OC)ccc(F)c2	191
+c1cc(ccc1)C#CC(c2cc(F)ccc2OC)O	1471
+c1cc(O)c(cc1C2C(CC(OC)=O)C2)F	5
+c1cc(ccc1CC2(CCN(CC2)CC(Cc3cc(c(OC)cc3)F)O)O)C	170
+c1cc(ccc1NC(=O)C)SCCCOc2cc(ccc2OC)Cc3cnc(nc3N)N	72
+c1cc(ccc1CNC(CCc2ccc(OCC#C)c(OC)c2)=O)C(OC)=O	68
+c1cc(cc(c1OCC#C)OC)CCC(=O)O	3
+c1(c(N)ccc(Oc2ccc(cc2C#N)F)c1)C	0
+c1cc(cc2C(Oc3cc(OCC(OC)=O)ccc3)CCc12)-c4cc(ccc4)F	20
+c1cc(cc2C(Oc3cc(OCC(=O)O)ccc3)CCc12)-c4cc(ccc4)F	4
+C(c1ccc2c(ccc(F)c2)c1)O	611
+C(c1ccc2cc(OC)ccc2c1)O	49
+c1cc(C(=O)O)cc2ccnn12	1
+c1ccccc1-c2c[nH]c(n2)C(N)C	102
+C1CC(CCC1C(O)=O)c2ncc(-c3ccccc3)[nH]2	4
+c1cc(ccc1)-c2c(C(O)=O)cc[nH]2	6
+c1cc(ccc1)-c2c3cc(c(C)cc3[nH]n2)N	0
+c1cc(ccc1)-c2c(cccc2)-c3c(c(CC=C)cc(F)c3)O	423
+c1cc(ccc1F)-c2c(c(C(=O)NCc3ccc(cc3)F)n(c2C=O)C(C)C)-c4ccccc4	81
+c1cc(ccc1)-c2c(-c3ccccc3)nc(N(C(C)C)CCCCOCC(=O)NS(=O)(=O)c4ccc(cc4)C)cn2	344
+c1cc(ccc1)-c2c(C(=O)Nc3ccc(cc3)S(=O)(=O)N4c5ccccc5SC(C=C4)CCO)cccc2	50
+c1cc(ccc1)-c2c3cc(ccc3nc(c2C(=O)O)CC(C)C)Br	1
+c1cc(ccc1)-c2c(nc3c(cc(F)cc3)c2C(=O)O)C(C)Nc4c(c(N)ncn4)C#N	1
+c1cc(ccc1)-c2cc3CCCCn3c2C(=O)C(Nc4ccc(cc4)N5CCN(CC5)CC(=C)C)=O	2678
+C1Oc2ccc3-c4ccccc4C(=O)c3c2C1	358
+c1ccccc1-c2c(ccc(S(=O)(=O)C)c2)C(OC)=O	992
+c1ccccc1-c2c(C(OC)=O)c3cc(F)ccc3nc2C(N)C	18
+c1cc(ccc1)-c2nc3c(c(c2C)C(=O)NNc4ccccc4)cccc3	898
+c1cc(ccc1C=O)Oc2c(-c3ccccc3)c(C)cc4cc(ccc24)OC	46
+c1cc(ccc1)-c2c(C)n(-c3ccc(cc3)CCNC(Oc4ccccc4)=O)nc2C	101
+c1cc(ccc1)-c2c(C)nn(-c3ccc(cc3)CCN)c2C	18
+c1ccccc1C(Nc2cnc(c(C3=NN(C(C)C)C(=O)C=C3)c2)-c4ccccc4)=O	660
+c1ccc(Cl)c2c1-c3ccccc3C(=O)CCC2	94
+c1ccccc1-c2nc3c(c(C(O)=O)c2CN=[N+]=[N-])cccc3	1
+c1cc(ccc1)-c2c(COc3ccc(cn3)C(=O)O)c(on2)C	1
+c1cc(ccc1)COC(=O)c2nc(Cc3c([nH]c4cc(ccc34)OC)-c5ccccc5)ccc2	470
+c1cc(ccc1)-c2c(cc(cc2)N)Cl	0
+c1cc(ccc1)-c2ccc(cc2F)-c3noc(-c4ccc(cc4)CO)n3	910
+c1ccccc1-c2c(F)cc(O)c(c2)C(=O)NCc3cc(ccc3)[N+](=O)[O-]	5
+c1cc(ccc1)-c2c(N)nc3ccc(C(O)=O)cn23	1
+c1cc(ccc1)-c2c(N)nc3ccc(cn23)C(c4ccc(cc4)F)=O	3060
+c1ccccc1-c2c3n(c(nc3ccc2)-c4ccccc4)-c5ccccc5C(C)C	10720
+c1cc(ccc1)-c2nc3c(nc2)cc(c(O)c3C(O)=O)-c4ccccc4	1
+c1(cc2c(cc1)c3c([nH]2)cccc3)C#N	1223
+c1ccccc1-c2c(c3c(c(c2C)C#N)nc(o3)CN(C(=O)OCc4ccccc4)C)F	1824
+c1ccccc1C(CC)NC(c2c(c(-c3ccccc3)nc4ccccc24)CN)=O	18
+c1cc(ccc1)-c2c(c(C#N)c(N)c(O)c2F)C	5
+C1CC(CCC1)Nc2cccc(-c3ccccc3)c2CN	107
+c1cc(ccc1)-c2ccnc(c2N)N	13
+c1ccccc1-c2c(c(on2)C)-c3nc(CO)n(-c4ccc(cc4)[N+]([O-])=O)c3	118
+c1cc(ccc1)-c2c(c(on2)C)COc3ccc(C(O)=O)nn3	6
+c1ccccc1-c2ccc(I)cc2O	5
+c1cc(ccc1)-c2c(N)cc(OC)cc2	0
+c1cc(ccc1)-c2c(cc(O)cc2)[N+](=O)[O-]	5
+c1cc(ccc1)-c2ccc(cc2Cl)N=C=S	1034
+O=S(=O)(c1c(c([N+]([O-])=O)cc(C(O)=O)c1)-c2ccccc2)N	10721
+c1cc(ccc1)C(N2CCN(CC2)c3c(-c4ccccc4)nnc(O)c3)=O	115
+c1ccccc1-c2c(-c3cc(F)cc(c3O)C=CC)cccc2	4606
+c1cc(ccc1)-c2c(cccc2)Cn3c4nc(SC)nc(OCC(=O)O)c4c(c3CC)C(=O)C(N)=O	4
+c1cc(ccc1)-c2nc3c(c(O)ccc3nc2NCc4ccccc4)C(=O)NCC(O)=O	3
+c1cc(ccc1)-c2c(ncc(N(CCc3cc(O)ccc3)C)n2)-c4ccccc4	16
+C1CCCCC1c2ccc3nc(C)c(n3c2)-c4sc(c(-c5ccccc5)n4)C(=O)OCC	671
+c12c(cccc1)C(=O)N(C2=O)Cc3c(C(=O)OCC)c(-c4ccccc4)c5cc(Cl)ccc5n3	10722
+c1ccccc1-c2nn(C)c3C4(c5ccccc5)C=C(C#N)C(C(C4CCc23)C)=O	10723
+c1cc(ccc1)-c2c3c(ncnc3oc2-c4ccccc4)NCCc5ccc(cc5)NC(Nc6ccccc6)=O	124
+c1ccccc1-c2c(CO)c(CC(C)C)nc3c2cc(cc3)Br	382
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(=O)Nc5cc(ccc5C)N)n2	0
+c1cc(ccc1)-c2cc(N(c3ccnc(SC)n3)C)cc4c2[nH]cn4	10724
+c1ccccc1-c2c(cc(c(C(=O)O)c2)OC)F	1
+c1ccccc1-c2cc(NC(=O)c3ccc(cc3)OCc4ncccc4)c(C)cc2	50
+c1ccccc1C(Nc2cc(-c3ccccc3)ccc2C(=O)O)=O	1
+c1cc(ccc1O)CC2=Nc3c(N(c4cccc(c4)-c5ccccc5)C2=O)nccc3	5048
+c1cc(ccc1)-c2cc(S(=O)(=O)Nc3ncc(Cl)cc3O)cnc2	390
+c1ccccc1-c2cc(N)cc3cn(nc23)C	0
+c1cc(ccc1)-c2cc(cc(N)c2)C(OC)=O	0
+c1cc(ccc1)-c2ccc(C(=O)OC)c(N)c2	0
+c1cc(ccc1)-c2cc(C#Cc3ccccc3)c(OC)cc2	129
+c1ccccc1-c2cc(CO)c[nH]2	351
+O=S(=O)(n1cc(C(=O)OCC)cc1-c2ccccc2)c3ccc(cc3)OC	917
+c1ccccc1-c2c3ccc(O)cc3cc(C(=O)O)c2	1
+c1cc(ccc1)SCc2cc3cc(ccc3c(-c4ccccc4)c2)O	2722
+c1cc(ccc1)-c2cc(-c3ccc(cc3)OCC(=O)O)nc4ccccc24	4
+c1cc(ccc1)-c2cc3c(cc2)CC(C(c4ncco4)O)CC3	10725
+O=S(=O)(n1cc(Br)c2c1ncc(-c3ccccc3)c2)c4ccc(cc4)C	276
+c1cc(ccc1)-c2oc3c(cccc3)c2C(c4ccc(cc4)OC)=O	3102
+c1cc(ccc1)-c2cc3ncnc(Nc4cc5c(c[nH]c5cc4)C)c3s2	4374
+c1cc(ccc1)-c2ccc(-c3c4nc(C5CCC(CC5)CC=6OC(=O)NN=6)cc(N)n4nc3)cn2	10726
+c1cc(ccc1)-c2ccc(cc2CO)Br	611
+c1cc(ccc1)-c2cc(NC(c3ccccc3)=O)c(cc2)C(=O)OC	50
+c1cc(ccc1)-c2ccc(c(Oc3ccc(cc3)C#N)c2)[N+]([O-])=O	46
+c1cc(ccc1OC)Oc2c([N+](=O)[O-])ccc(-c3ccccc3)c2	46
+c1cc(ccc1)-c2ccc(c(c2)Oc3ccc(cc3)C#N)N	0
+c1cc(ccc1)-c2c(C=O)cc(cc2)Br	39
+c1cc(ccc1-c2nc(-c3ccc(-c4ccccc4)c(Cl)c3)on2)CO	2185
+c1cc(ccc1)-c2ccc(cn2)-c3nc(CCOc4cc(C)c(CCC(O)=O)cc4)c(o3)C	4
+c1ccccc1-c2ccc(cn2)N	13
+c1c2c3c(cccc3)c4c(c2ccc1OC)cccc4	5049
+C1CN(CCN1c2ccccc2)Cc3ccccc3-c4ccccc4	48
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)CCCO)cnc23	213
+c1ccccc1CNCc2ccc(cc2)-c3cnc4n(ncc4-c5ccccc5)c3	42
+c1cc(ccc1)-c2cnn3cc(cnc23)-c4ccc(cc4)CCC=O	24
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)C=O)cnc23	537
+C1C(CC1)(CO)Cc2nc(-c3ccccc3)cs2	118
+c1ccccc1-c2c3c(cc(OC)cc3)sc2C(c4ccccc4)=O	10727
+c1cc(ccc1)-c2n(cnc2C(=O)OCC)C3CCCCC3N	18
+c1cc(ccc1)-c2c(ncn2C3C(CCCC3)NC(OCc4ccccc4)=O)C(=O)OCC	101
+CC(C)N(Cc1ccccc1)C(=O)CN2C(=O)Cc3n(-c4cc(F)c(cc24)F)c(-c5ccccc5)nn3	4342
+c1cc(ccc1)-c2nc(C(O)=O)c3CN(CCCn23)C	6
+c1ccccc1-c2c(c(c3n2ccc(Br)c3)C(=O)O)Cc4cccc(c4C)F	1
+c1cc(ccc1)-c2nc(c(C(CCC)C(=O)O)c(C)n2)-c3ccc4N(CCc4c3)C	4
+c1cc(ccc1)-c2nc(N3CCCCCC3)c(C(CCC)C(O)=O)c(n2)C	4
+c1cc(ccc1-n2cc(nc2CC)-c3ccccc3)CCN	18
+c1cc(ccc1)-c2nc(CCNC(=O)c3n(C)ncc3C(=O)O)c(C)o2	6
+c1cc(ccc1)-c2nc(COc3ccc(cc3)Sc4nc(-c5ccccc5)c(CCC(OC)=O)s4)c(C)o2	547
+c1cc(ccc1)-c2nc(CNc3nc4c(nc3)cccc4)[nH]c2	5050
+c1ccccc1-c2oc(C)c(n2)COc3cccc(COc4nn(Cc5ccccc5)cc4C(OCC)=O)c3	4594
+c1cc(ccc1)-c2nc(COc3ccc(cc3)Sc4nc(c(CCC(=O)O)s4)-c5ccccc5)c(C)o2	4
+c1ccccc1-c2nc(Sc3ccc(cc3)O)sc2CCC(OC)=O	10728
+c1ccccc1-c2cc(C(=O)OC)cc(n2)O	700
+c1cc(ccc1C=CC(=O)OC)-c2cc(nc(NC(CCC(c3ccc(OCC)c(c3)OCC)=O)=O)c2)-c4ccccc4	699
+c1cc(ccc1)-c2nc(nc(n2)N3CCC(CC3)C(NCc4ccc(cc4)Cl)=O)NC	9
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(=O)O)n2	744
+c1cc(ccc1)-c2c(nnc(n2)N)-c3cc(O)cc(Cl)c3	5
+c1cc(ccc1)-c2c(oc(n2)C)-c3ccc4n(c3)c(nn4)C(C)C	757
+c1cc(ccc1)-c2nc(sc2)C(O)=O	6
+c1cc(ccc1)-c2c(O)c(C(NC(c3ccccc3)CC)=O)c4ccccc4n2	14
+c1cc(ccc1)-c2nc3n(n2)ccc(NC(=O)c4n(Cc5ccccc5)ncc4C(O)=O)c3	6
+c1cc(ccc1)-c2ncc(cc2)C(O)=O	6
+c1cc(ccc1)-c2ncc(C(C)C)cc2	1747
+c1cc(ccc1)OC(=O)Nc2cnc(cn2)-c3ccccc3	2205
+c1cc(ccc1)C#Cc2c(-c3ccccc3)nn(CC(OCC)=O)c2NC(=O)C	1249
+c1cc(ccc1Br)-c2cnc(NN)nn2	10729
+c1ccccc1-c2cc3c(cccc3nn2)C	3149
+c1cc(ccc1)-c2nnn(c2)-c3ccc(cc3C#N)-c4nccc(C(O)=O)c4	1
+c1cc(ccc1)-c2noc(C)c2-c3oc(-c4ccc(-n5ccnc5)cc4OC)nn3	431
+c1cc(ccc1)-c2noc(C)c2-c3nnc(o3)-c4c(cc(N)cc4)OC	0
+c1cc(ccc1)-c2c(COc3ncc(C(=O)OC)cc3)c(on2)C	91
+c1cc(ccc1)-c2c(COc3ccc(nn3)Cl)c(on2)C	485
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CON=C(C(O)=O)c4cnccc4	3
+c1ccccc1-c2nc(C3CCCC3Cc4cc(ccc4)C(=O)N)oc2-c5ccccc5	10730
+c1cc(ccc1)-c2c(-c3ccccc3)nc(o2)C=4C(Cc5cccc(NC(=O)NC(c6ccccc6)=O)c5)CCCC=4	2462
+c1cc(ccc1)-c2nc(C)c(CCO)o2	44
+c1cc(ccc1)-c2oc(c(C)n2)CCOc3cc4c(cc3)C(CC4)CC(=O)O	3
+c1cc(ccc1)-c2oc(c(n2)CCO)C	88
+c1cc(ccc1)-c2c(nc(C=3C(CCC=3)Cc4cc(ccc4)C(O)=O)o2)-c5ccccc5	1
+c1cc(ccc1)-c2c(C(=O)c3ccc(cc3)O)c4ccccc4o2	5
+c1cc(ccc1)C(c2c(sc(-c3ccccc3)c2)N)=O	5051
+c1cc(ccc1)-c2sc(C)c(n2)CCN	18
+c1ccccc1CC(C(C(OCC)=O)O)NC(=O)c2cccnc2-c3nc(sc3)-c4ccccc4	2896
+c1ccccc1-n2nc(c(C)c2N)C(O)=O	6
+c1ccccc1-n2nc(cc2-c3cccc(c3)CCC)NC(=O)C45CC4C(NC5)=O	3157
+c1ccccc1-n2c(C=3C(C(=CN(c4ccc(cc4F)O)N=3)OC)=O)ccn2	16
+c1cc(ccc1)-n2c3c(cc(N)cc3)cc2C(=O)OCC	0
+c1ccccc1-n2c(nc3cc(-c4nc5ccccc5o4)ccc23)C	1328
+c1cc(ccc1)-n2ncc3c(ncnc23)NN=Cc4ccc(cc4)C(=O)O	878
+c1ccccc1-n2cc(C#N)c(-c3oc([N+](=O)[O-])cc3)n2	4558
+c1cc(ccc1)-n2nc3ncc(N)cc3c2	13
+c1ccccc1-n2c3cc(CO)ccc3nc2	98
+CN(C)C(=O)c1nn(nc1C(=O)O)-c2ccccc2	1
+c1cc(ccc1)-n2nc(cc2NC(=O)c3c(Cl)cc(Cl)c(c3)-c4ccccn4)C(=O)O	6
+c1ccccc1-n2cnc(n2)C(NC3CN(c4nccn5ccnc45)CC3)=O	855
+c1ccccc1-n2nc3ncc(NS(=O)(=O)c4ccccc4)cc3c2	322
+c1ccccc1-n2c(N)ccn2	2257
+c1cc(ccc1)-n2c3CCCC(CC(O)=O)c3cn2	3
+c1cc(ccc1)C2C(N3C(C4N(CCN(C4)C(Nc5n(-c6ccccc6)ncc5)=O)C3=O)=O)C2	437
+c1cc(ccc1)-c2sc(NC(C)=O)c(C(c3ccccc3)=O)c2	268
+c1cc(ccc1)-c2nn(c3c2CCC4C(C(=O)CCC34c5ccccc5)C)C	1624
+c1cc(ccc1)-c2nc(OCc3ccccc3)cc(C(OC)=O)c2	140
+c1cc(ccc1)COc2cc(cc(c2)CC(OCC)=O)-c3ccccc3	11
+CC(C)(c1ccc(cc1)-c2ccccc2)C(NC)C(O)=O	11
+c1cc(ccc1CC(C(OCC)=O)CP(C(NC(=O)OCc2ccccc2)C)(=O)O)-c3ccccc3	11
+c1cc(ccc1CN2C(=NC(=C(c3ccccc3)C2=O)C)SCC)-c4c(C#N)cccc4	1100
+c1ccccc1-c2nnc(Cc3ccc(cc3)OC)c4ccccc24	519
+c1ccccc1-c2cnc(N)cc2	89
+c1cc(ccc1)-c2cc3c(NC(C3)=O)cc2	11
+c1cc(ccc1)C=2c3ccccc3C(=O)OC=2C(O)C	10731
+c1ccccc1-c2nc(ncc2-c3ccccc3)N	10732
+c1ccccc1-c2cnc3cc(c(OC)c(c3n2)C(OC)=O)-c4ccccc4	495
+C1CC(CCN1CC=Cc2ccccc2)NC3=CC(=O)Oc4ccc(-c5ccccc5)cc34	11
+c1ccccc1-c2cc3c(nc2)N(C(=O)C(=C3O)C(OCC)=O)OCc4ccccc4	89
+c1nc(ncc1)N2CCN(CC2)C(=O)Cn3c(-c4ccccc4)nc(c3Br)Br	1795
+c1ccccc1-c2c3c(n[nH]2)cnc(-c4cccnc4)c3	1196
+c1ccccc1-c2nc(Cl)c(c(n2)Cl)N	2294
+c1cc(ccc1)-c2ncnc(c2)Cl	198
+c1ccccc1-c2nn3c(cc2)ncc3[N+]([O-])=O	519
+c1cc(ccc1)-c2cnc3n(cc(-c4cc(ccc4Cl)NC(c5oc(cc5)C)=O)n3)c2	537
+c1ccccc1-c2c(c(Cl)c3c(nccc3)n2)C	140
+c1ccccc1-c2sc3c(C#N)cnc(NC4C(NC(C)CC4)C)c3c2	10733
+c1ccccc1C2N(C(OCc3ccccc3)=O)CCN(c4ccccc4)C2	79
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3cc4c(NC5CCN(c6ccccc6)C(=O)C5)ncnc4cc3	654
+c1ccccc1Nc2ccccc2OC	230
+c1ccccc1COc2c(cnc(C)c2OC)C(NCc3ccc(cc3)F)=O	10734
+c1ccccc1Oc2nc(c(C)c3n(CCOCC#Cc4ccccc4)c(C)nc23)C	1244
+c1ccccc1CCCOCCn2c3c(C)c(nc(N)c3nc2C)C	213
+c1cc(ccc1)-c2[nH]c3c([N+]([O-])=O)cc(C)cc3c2	2292
+c1cc(ccc1)C#Cc2c(n[nH]c2N)C	1670
+c1ccccc1S(=O)(=O)n2c3c(c4c2ncc(Cl)c4)cc(cc3)CCc5ccccc5	1702
+c1cc(ccc1)C#Cc2ccccc2C(OC)C#Cc3ccc(cc3)OC	121
+c1ccccc1C(=C2C(=O)N(c3ccccc23)C(C)=O)Nc4ccc(cc4)CC(=O)OCC	5052
+c1ccccc1C(Nc2ccc(cc2)N(C)C(=O)C)=C3C(=O)N(c4ccccc34)C(C)=O	5052
+c1ccccc1C(CC(=O)OCC)c2cc(OC)cc3c2cc[nH]3	5053
+c1cc(ccc1)C(=O)C=Cc2ccc(cc2)C(=O)O	307
+c1cc(ccc1)C(CCc2ccc(cc2)C(=O)O)=O	2301
+c1ccccc1Cn2c3c(cc2-c4ccccc4)CN(CC3C)Cc5ccccc5	4541
+c1ccccc1C(CCN2CCC(CC2)CCCc3ccccc3)=O	1644
+c1cc(ccc1)C(=O)CCN2CCN(CC2)c3cc(F)c(cc3F)O	5
+c1cc(ccc1)C(=O)N(C)C(Cc2ccccc2)CCN	51
+c1c(N)cc(cc1)C=CCCNC	5054
+c1ccccc1C(=O)N(C)CCOc2ccc(cc2)C=O	57
+CC(C)(O)c1nc(N2CC3CSC(=N)NC3(C2)c4cnccn4)ncc1F	5055
+c1(c(F)c(ccc1)C23C(C(CF)OC2)CSC(N)=N3)F	10735
+FC(F)(C1C2CSC(NC2(CO1)c3c(F)ccc(NC(c4cnc(cn4)-n5ncnc5)=O)c3)=N)C	5055
+c1cc(ccc1C2CCCN2c3cc(NC(=O)N)ncc3)F	10736
+c1cc(ccc1)COc2c(NC(=S)NC(=O)c3ccccc3)nccc2	1780
+c1ccccc1C(NC(=S)Nc2cc(cc(Br)c2)OCc3ccccc3)=O	865
+c1cc(ccc1-c2nc(C)ns2)NC(=S)N	3098
+c1cc(ccc1)C(=O)NC(=S)Nc2ccc(cc2)F	865
+c1cc(ccc1)C(=O)NC(=S)Nc2ncc(cc2Oc3ccc(cc3)C#N)Br	1780
+c1ccccc1C(NC(Nc2ccccc2OCCC)=S)=O	865
+S=C(N)NCc1nc2c([nH]1)cccc2	2806
+c1ccccc1C(NC(Nc2ncc(cc2Oc3ccccc3)Cl)=S)=O	1780
+n1c2c(cccc2)c([nH]1)C=Cc3c(cccc3)NC(N)=S	3098
+c1cc(ccc1NC(=S)N)F	401
+c1cc(ccc1C#N)Oc2c(ncc(Br)c2)NC(=S)N	401
+C1COCCC1c2ccc(c(NC(N)=S)c2)OC	401
+NC(=S)Nc1cccc(-c2nccc(OC)c2)c1	401
+C(c1c(cc(C)cc1)NC(N)=S)CC	401
+c1cc(ccc1)C(=O)N=C2SCC3C(COC3C(F)(F)C)(N2)c4c(F)ccc(NC(c5cnc(cn5)-n6ncnc6)=O)c4	10737
+C1SC(=NC2(C)C1COc3c2ccc(c3)F)N	10738
+c1cc(ccc1)C(NCCc2cc3c(cc2)[nH]c4ncc(cc34)Cl)=O	5056
+c1cc(ccc1)C=2c3ccc(cc3CCN=2)OC	1753
+c1cc(ccc1)C(OCC(=C)CCO)=O	1974
+c1cc(ccc1)C(OCc2nc(cs2)-c3ccc(cc3)C(O)=O)=O	963
+c1cc(ccc1OCCCOc2c(cc(cc2Cl)O)Cl)-n3c(SC(C)C)nnn3	818
+CC(C)(CCCc1ccc2cc(c(cc2c1)N3S(=O)(=O)NC(=O)C3)O)CO	818
+c1cc(ccc1)C(c2c(ccc(c2)F)NC(=O)n3cncc3)=O	10739
+c1cc(ccc1)C(c2c(ccc(Br)c2)O)O	488
+c1c2c(ccc1)C(=O)N(C2=O)Cc3nccn3-c4ccc(cc4C(=O)c5ccccc5)Br	4543
+c1ccccc1-c2onc3c2cc(C)cc3	3159
+c1cc(ccc1)C(=O)c2ccc(C(Nc3cc(C=CC(=O)O)ccc3)=O)o2	108
+c1ccccc1C(c2cc3nccnc3cc2)O	488
+c1cc(ccc1)Cc2cccc(c2)C(O)=O	394
+c1cc(ccc1)C(=O)c2cc(C(=O)N3Cc4ccoc4CC3)ccc2	30
+c1cc(ccc1)Cc2cccc3ccccc23	394
+c1cc(ccc1)C(c2noc(CSc3ccccc3)n2)=O	10740
+c1ccccc1-c2sc3cc(c(C(=O)OC)cc3n2)OC	2179
+c1cc(ccc1C=CC(=O)C(CC=Cc2c(C)cccc2)c3ccccc3)Cl	964
+c1cc(ccc1CC(c2ccccc2)C(C)O)Cl	100
+c1ccccc1C(C2CCCCC2)CO	95
+c1ccccc1C(CO)CC=C	44
+c1ccccc1C(C(c2ccccc2)OC(C3CCCCC3Cc4cc(OC)ccc4)=O)=O	4231
+CC(C)(C(=O)C)C(c1ccc2n(-c3ccc(cc3)F)ncc2c1)c4ccccc4	86
+c1cc(ccc1)-c2c3c(n[nH]2)cc(cc3)C(c4ccccc4)C(C)(C)C(O)=O	4
+c1ccccc1CNC(C(C)O)c2ccccc2	42
+c1cc(ccc1)C(C(c2cccc3ccccc23)O)CNC	1925
+c1cc(ccc1)C(C)(C)NC(=O)c2cc3c(n(C(=O)OCC)nc3NC(=O)c4ccccc4N)s2	0
+c1cc(ccc1)C(C)(CO)CCCCBr	44
+C1(c2c(C(=O)N1CCCCCC(C)(c3ccccc3)CO)cccc2)=O	966
+c1ccccc1C(CCC(N)CO)C	191
+O=C1c2ccccc2C(C)C1	214
+c1cc(ccc1C)S(=O)(=O)OCC(C)c2ccccc2	36
+c1cc(ccc1)C(C)N2CC(CC2=O)CC(C(=O)O)C	4
+c1cc(ccc1)C(N2C(CC(CC(C)CO)C2)=O)C	21
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5cc(NC(NC(c6ccccc6)C)=O)ncc5c(n4)NCC	10741
+c1cc(ccc1)C(C2COCCN2Cc3sc4c(C(C(C(NCc5ccc(cc5)Cl)=O)=CN4CCOC)=O)c3)O	822
+c1ccccc1COc2c(cc(cc2)OCc3ccccc3)OCC(=O)c4ccccc4	702
+c1cc(ccc1C(=O)CCC(c2ccccc2)=O)OC	10742
+c1cc(ccc1-c2nc(-c3ccccc3)cs2)Br	1741
+c1cc(ccc1Cn2c3ccccc3nc2CC4CCN(CC4)CCNc5nc(cs5)-c6ccccc6)F	354
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OC)-c4c(n(nc4)C)NC(CC(C)c5ccccc5)=O	195
+CC(C)CC(C(=O)NC(CO)C(O)C(O)C(O)C(=O)NC(c1ccccc1)CC(N)=O)N	334
+c1ccccc1C2CC(c3c(C2)c(OC)ccc3)=O	214
+c1cc(ccc1)C2Cc3c(C(=O)C2)ccc(OC)c3OC	214
+c1ccccc1C(c2cc(ccc2)OC)CCO	95
+c1cc(ccc1)C(CC(OCC)=O)Nc2c(ccc(C#N)n2)N	13
+c1cc(ccc1O)NC(=O)C(c2ccc(cc2)O)=C(c3ccccc3)CC	241
+c1cc(ccc1)C(C)(CC=C)CO	237
+c1cc(ccc1)C(=O)CCCn2c3c(cnc4c3cccc4)nc2	155
+c1cc(ccc1Br)CN2C(C3(CCN(CC3)CCC(O)c4ccccc4)CC2)=O	74
+c1cc(ccc1)C(O)CCc2c(C(OC)=O)cc3nc(C)n(c3c2O)CCOC	74
+c1ccccc1C(CCc2cccc(OC)c2)N	18
+c1cc(ccc1)C(CCc2cc(OC)ccc2)N=[N+]=[N-]	841
+c1ccccc1NCC(N(C)C(CN2CC(OCCOCCOCCOCCOCCOC)CC2)c3ccccc3)=O	10
+c1cc(ccc1)-c2oc(-c3ccc4nc(C)[nH]c4c3)nc2	10743
+c1cc(ccc1)C(CNCCO)Nc2cc(-c3ccc4c(c3)c(F)[nH]n4)cnc2	15
+c1ccccc1C(CC(OCC)=O)Cc2ccc(cc2)OC	10744
+c1ccccc1C(F)(F)C#N	143
+c1ccccc1C(F)(F)C(F)(F)c2c(CO)cccc2	49
+c1cc(ccc1C=O)-c2cc(CN(C(c3ccccc3)=O)C)ccc2	11
+c1ccccc1C2N(Cc3ccccc3)C(=O)COC2C	467
+c1ccccc1C(Nc2nccc(-c3c(c[nH]c3-c4ccc(cc4)F)C5=CCN(C(OCC=C)=O)CC5)c2)C	182
+c1ccccc1C(N)COC(F)F	45
+c1ccccc1C(C2CC(N(C2)C(c3ccccc3)C)=O)O	74
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)[N+]([O-])=O)C	20
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)N)C	0
+c1cc(ccc1S(=O)(=O)OCCC2CCN(CC2)C(c3ccccc3)=O)C	1312
+C1CC2(CCN1)Cc3ccccc3C2=O	5054
+c1-2ccccc1NCCc3nc(C)[nH]c-23	10745
+c1cc(ccc1)COC(=O)NC(CC(C)C)C(=O)NC(C(O)C(O)C(C(=O)NC(c2ccccc2)CC(=O)O)O)CO	1403
+c1cc(ccc1)C(NC(=O)Cc2ccc(cc2)OCC(c3c(nccc3)C)O)c4c(cc(C)cc4)C	652
+NC(=S)Nc1nc(ccc1)C	401
+CC(C)S(=O)(=O)NC1CCC(CC1)CNC(N)=S	401
+C1COCCN1c2ccc(OC)c(NC(=S)N)c2	401
+C1CN(CCO1)c2cc(NC(=S)N)c(cn2)OC	401
+NC(=S)Nc1nc(ccc1)Br	401
+c1cc(ccc1)C(NC(CC(=O)OCC)c2cccc(N)c2)=O	0
+O=S(=O)(c1cc(N)ccc1)Nc2cccc(c2)C(NC(=O)c3ccccc3)CC(OCC)=O	0
+c1ccccc1-c2nnc(o2)CCC(OC)=O	877
+c1ccccc1C(=S)Nc2c(Cl)c(ccc2)C	581
+c1cc(ccc1)C(Nc2nccc3c2ccc(c3)CN=[N+]=[N-])=O	925
+c1cc(ccc1)C(Nc2c3c(ccn2)cc(CO)cc3)=O	41
+c1ccccc1C(CN)Nc2cncc(c2)Br	45
+c1cc(ccc1)C(Nc2c3ccc(cc3ccn2)CN)=O	18
+c1ccccc1C(O)(C)CCOS(=O)(=O)c2ccc(cc2)C	36
+c1ccccc1-c2nc(-c3ccc(cc3)-c4nc5c([nH]4)cccc5)no2	910
+C1CC(CCC1c2ccc(cc2)-c3nnn(C)c3NC(=O)OC(c4ccccc4)C)CC(=O)OCC	2907
+c1ccccc1C2CCc3c(C(=O)OC)cc4nc(C)n(CCOC)c4c3O2	10746
+c1cc(ccc1)C2c3c(CN(C)C2)c(cc(c3)Cl)Cl	5057
+c1ccccc1C(CNC(C2CC(CCC2C(C)C)C)=O)=O	155
+C(C(COC1OCCCC1)C)O	682
+c12c(NC3CN(CC3)Cc4cccc(OCCO)c4)cccc1cncc2	682
+c1c(Oc2cccc3c2CNC3=O)c(cc(c1)Nc4ncnc5c4n(CCO)cc5)Cl	682
+c1c(Oc2cccc3sncc23)c(cc(c1)Nc4ncnc5c4n(CCO)cc5)Cl	682
+c1cc(ccc1)C(OCc2nc(-c3ccc(cc3)CO)cs2)=O	49
+C(c1cc(cc(CC)c1OCCCCOCC(OCC)OCC)O)C	818
+Clc1c(c(C)cc(O)c1)OCOC	818
+Clc1cc(cc(Cl)c1OCc2ccccc2Cl)O	818
+c1c(c([N+]([O-])=O)cc(c1)O)OCC(OC)=O	818
+O=S(=O)(C(c1ccccc1)C(C)(C)O)N	4939
+c1cc(ccc1)CCC(c2ccccc2)c3cn(Cc4ccccc4)cn3	371
+c1cc(ccc1)C(c2cccc(CC(O)=O)c2N(C)C)=O	4
+c1cc(ccc1)-c2c3c(no2)c(ccc3)C	3159
+c1ccccc1C(=O)c2c(NC(C)=O)sc3ccccc23	10747
+c1ccccc1C(c2cnc3c(c2Nc4c(C)cccc4)cccc3OC)=O	179
+c1cc(ccc1)-c2onc3c2ccc(c3)C	3159
+c1cc(ccc1)C(NC(=O)Cc2ccc(cc2)OCC(c3cccnc3C)=O)c4c(cc(C)cc4)C	9
+c1ccccc1Cc2cc(ccc2O)Br	452
+c1cc(ccc1)Cc2cc(OC)c(c(c2)Br)OCCOC	452
+c1cc(ccc1)COc2cccc(c2)C(C(=O)O)(c3ccccc3)O	3
+c1ccccc1C(c2ccc3n(-c4ccc(cc4)F)ncc3c2)C(C)(C)CO	21
+c1ccccc1C(c2ccc(o2)C(=O)O)=O	1
+c1cc(ccc1)C(c2ccc(Cl)cc2C)NC(Cc3ccc(O)c(N)c3)=O	0
+c1cc(ccc1)C(c2c(cc(Nc3c4cc(ccc4ncn3)-n5cncc5)cc2)Cl)=O	73
+c1ccccc1C(=O)c2ccc(c(CC=C)c2O)O	423
+c1cc(ccc1C(=CC(=O)O)c2ccccc2)[N+](=O)[O-]	108
+n1c2ccccc2nn1-c3cc(cc(c3O)Cc4c(OC)ccc(C(=O)c5ccccc5)c4O)C	10748
+c1ccccc1C(c2ccc3occc3c2)=O	335
+c1ccccc1C(c2ccccc2)(C(O)C(=O)O)C	3
+c1ccccc1C(c2ccccc2)(CC(N(C)C)C)C(=O)CCCC=C	86
+c1ccccc1C(c2ccccc2)(CC3CCNCC3)C(=O)N	25
+c1cc(ccc1F)C2(c3ccc(cc3)F)C(N(CC(NCC(c4ccccc4)(c5ccccc5)C)=O)CC2)=O	9
+c1cc(ccc1)C(c2ccccc2)(O)C3C(C)(C)C(=O)N(C4C5CC(CC4CCC5)C(OC)=O)C3	1412
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4ccc(cc4)N)O	0
+c1ccccc1C(c2ccccc2)(C3CNCC3)C#N	2721
+c1ccccc1C2(c3ccccc3)C(=O)NCCC2	5058
+c1ccccc1C(c2ccccc2)(O)CCNC(c3ccccc3)=O	93
+c1ccccc1C(c2ccccc2)(CN)CNCC(C)(C)C	12
+CC(C)(C)OC(=O)NC(CO)CCN1CC(C1)Sc2ccc(cc2)Cl	3160
+CC(C)(C)OC(=O)NC(CCN1CC(C1)S(=O)c2ccc(cc2)Cl)CO	3160
+C1C2CCCC(CC1C(OC)=O)C2N3C(=O)C(C)(C)C(C3)CO	3160
+c1ccccc1C(c2ccccc2)=C3CCN(CC3)c4[nH]c5ccccc5n4	5059
+c1cc(ccc1)C(c2ccccc2)(O[SiH2]C(C)(C)C)C(NC(OC(C)(C)C)=O)CCN3CC(C3)Sc4ccc(cc4)Cl	183
+c1cc(ccc1)C(c2ccccc2)(O)C(NC(=O)OC(C)(C)C)CCN3CC(C3)S(=O)c4ccc(cc4)Cl	1412
+c1cc(ccc1)C(c2ccccc2)(O)C(CCN3CC(C3)Sc4ccc(cc4)Cl)NC(=O)OC(C)(C)C	1412
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(O)COCc4ccccc4	604
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC4CC(O)CCC4NC(=O)OCc5ccccc5	604
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5c(c(I)n4)cc(Br)c(c5)[N+]([O-])=O	2271
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(-c5ccccn5)c(-c6ccnc(c6)Br)c4	10749
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(-c5ccc6c(c(O)nc(CCCC)n6)c5)nn4	10750
+C1c2ncc(Br)cc2CN1	10751
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC4=NNC(=O)N4CCC	2082
+C(CCCCCCCCC)CCCCCCOCC(CF)CO	1454
+C(Sc1ccccc1OC)C(OC)CO	1454
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(N4C=CC(=O)NC4=O)CCO	21
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(N4C(=O)NC(C=C4)=O)CC(=O)O	3
+c1ccccc1COCC(CO)OC	1454
+C(CCCCCCCCCCCCCC)CSCC(OC)CO	10752
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC=4N(CCC)C(N(Cc5ccc(cc5)C)N=4)=O	1712
+c1ccccc1COC(NC2CCC(OC)CC2CO)=O	1454
+c1cc(ccc1CN2N=C(CO)N(CCC)C2=O)C	1454
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCc4ccc(cc4)C#N	639
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(I)c5c(CO)nc(cc45)Cl	453
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5c(c(I)n4)cc(Br)c(N)c5	0
+c1nc(c[nH]1)C(=O)c2cccnc2F	5060
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)C(c5cc6ccc(C(=O)NC)cc6cc5)=O	5061
+c1[nH]cc(-c2cc(C#N)ccn2)n1	10753
+C1CC1(O)c2[nH]cnc2	5060
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cnc(C5(CC5)O)c4	88
+C1CN(CCN1C)c2cc(c(cc2)C(=O)Nc3[nH]nc4c3cc(cc4)C(=O)c5cc(F)cc(c5)F)[N+]([O-])=O	10754
+c1ccccc1C(c2ccccc2)=C(C(=O)O)C#N	108
+c1ccccc1C(c2ccccc2)=CCN3CCN(CC3)c4ccc(cc4)C#N	10755
+c1cc(ccc1)CN2CCC(Oc3cccc(n3)N)CC2(C)C	2664
+c1cc(ccc1)C(c2ccccc2)=Nc3ccc(cc3)-c4nnc(OC5CN6CCC5CC6)cc4	2017
+c1cc(ccc1CC2(C(=O)OC)CCCC(N)C2)F	10756
+c1cc(ccc1)C(c2ccccc2)=NC3CC(CCC3)(Cc4ccc(cc4)F)C(=O)OC	1161
+c1c(C)c(c(cc1N)C)-c2c(C)cncc2C	828
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C4(NC(=S)COC4)C5CC5)c(F)cc3	199
+C1CC1C2(COCC(=S)N2)c3cc(N)ccc3F	828
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C45NC(=S)COCC4C5)c(F)cc3	199
+C1C2CC2(c3c(F)ccc(N)c3)NC(CO1)=S	828
+C1COCCN1S(=O)(=O)Nc2cc(N)cnc2Cl	3161
+C(C)OC(c1cnc2c(ccc(N)c2)c1)=O	828
+c-12c(CCOc3cc(N)ccc-13)cc(C(N(c4c(Cl)cccc4)C)=O)s2	828
+c1cc(ccc1N)-c2ccc(OC3CN4CCC3CC4)nn2	828
+CC(C)C=1Oc2cc(ccc2C(=O)C=1c3ccc(cc3)Cl)N	828
+O=S(=O)(C)Nc1cc(N)cnc1C	3161
+CC(C)(C)OC(Nc1cc(cnc1Cl)N)=O	3161
+CC(C)(C)OC(N1CC(OCC1)c2cnc(cc2)N)=O	5062
+CC(C)(C)[Si](C)(C)OCC(C)(C)n1cc(c2cncnc12)C(c3cc(N)ncc3)=O	5062
+c1cc(ccc1)C(c2ccccc2)CO	95
+c1cc(ccc1)C(c2ccccc2)C(N3CCC(CC3)CCn4cc(C(C(O)=O)Cc5cnc(cc5)N)nc4)=O	3
+c1cc(ccc1)C(c2ccccc2)C(=O)Nc3cnc(nc3O)C=O	2287
+c1cc(ccc1)C(c2ccccc2)CC(N3CCNCC3)=O	2
+c1cc(ccc1)C(c2ccccc2)CCN3CC(NC(=O)OC(C)(C)C)CC3	15
+c1cc(ccc1)C(c2ccccc2)CC(N3CCN(CC3)CC(O)=O)=O	3
+c1cc(ccc1)C(c2ccccc2)CCN3CCC(N)C3	12
+c1ccccc1C(c2ccccc2)CCN3CCN(CC3)c4cc(C(N(Cc5ccccc5)C)=O)ccc4	30
+c1cc(ccc1)C(c2ccccc2)CCN3CCN(CC3)c4cc(C(=O)O)ccc4	6
+c1cc(ccc1)C(c2ccccc2)CN(Cc3cc(ccc3)OC(F)(F)F)CCCOc4cc(ccc4)CC(=O)O	4
+c1cc(ccc1)C(c2ccccc2)CN(CC3CCN(CC3)Cc4ccc(cc4)Cl)C(CNC(c5ccccc5)=O)=O	10
+c1cc(ccc1)C(c2ccccc2)NC(c3c(O)nc(COCc4ccccc4)nc3)=O	484
+c1cc(ccc1)C(c2ccccc2)N3c4ccccc4C(C3=O)(O)c5c(O)cc(OCc6ccccc6)cc5	1115
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4ccccc34)c5cc(OC)ncc5O)=O	462
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4ccccc34)c5cc(c(cc5O)F)F)=O	462
+O(C)c1cc2c(cn1)OCC23c4ccccc4NC3=O	3162
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CN	51
+c1ccccc1C(c2ccccc2)N3CC(C3)(NCc4ccccc4)CNC(C)C	15
+C1NCC1C(c2cc(cc(c2)F)C(=O)OCC)C(C)(C)F	539
+C1NCC1Cc2cn(c3ccc(cc23)F)C	539
+C1CC(CCN1C2CNC2)C(=O)N3CCC3	539
+C1CN(CCC1C(N(C)C)=O)C2CNC2	539
+C1CN(CCN1C2CNC2)C(=O)CC	539
+FC(F)(F)C(N1CCN(CC1)C2CNC2)=O	539
+C1NCC1N2C(CCO)COCC2	539
+c1cc(ccc1)C(c2ccccc2)N3CCN(CC3)CCCNc4cc(Cl)c(cc4N)Cl	0
+c1cccc2NC(C3(c4c(cc(F)c(c4)F)OC3)c12)=O	3162
+c1cc(ccc1)C(c2ccccc2)N3C(=O)C(c4ccc(OCc5ccccc5)cc4O)c6c3cccc6	462
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4cc(ncc4O)OC)(c5c3cccc5)O)=O	2942
+c1cc(ccc1)C(c2ccccc2)N3c4ccccc4C(c5cc6c(OCC6(C)C)cc5O)C3=O	462
+c1cc(ccc1)C(c2ccccc2)NC(=O)c3c(O)nc(CO)nc3	118
+CC(C)(C)c1nc(sc1)-c2cc3c(o2)ccc(c3)OCc4ccccc4OC(CCC)C(O)=O	10757
+c1ccccc1C(c2ccccc2)OCC3CCN(CC3)CCN	45
+c1cc(ccc1)C(n2c3cc(NC(c4ccc(cc4)[N+](=O)[O-])=O)ccc3nc2)CC(OCC)=O	50
+c1cc(ccc1C(=O)Nc2cc3n(C(CC(OCC)=O)c4ccccc4)cnc3cc2)N	0
+c1ccccc1CN2c3ccccc3C(c4ccccc4)(O)C2=O	1126
+c1ccccc1C2(CC(C2)C)c3c(ccc(c3)OCc4ccc5cc(ccc5n4)F)C(=O)C	155
+c1cc(ccc1)COCC2C(CN)(c3ccccc3)C2	51
+c1c2C3(C(=O)NC(CC3)=O)CCC(=O)c2ccc1	3090
+C1CC(CCC1(N(C)C)c2ccccc2)C=O	3663
+c1cc(ccc1)C2(CCCCC2)CNc3c4c(cccc4)nc(n3)Cl	40
+c1cc(ccc1)C2(CCCCC2)CNc3ncnc4ccccc34	10758
+C1CN(CCC1(c2ccccc2)C(=O)N3CCN(CC3)Cc4ccccc4)C	10
+C1CN(CCC1(c2ccccc2)CN)Cc3ccccc3	51
+C1CC(CCN1)(CN2CCN(CC2)C)c3ccccc3	25
+c1cc(ccc1)COC(=O)N2CC(CCC2)(N)c3ccccc3	18
+c1cc(ccc1)C2(NC(N(CC(=O)c3ccc(cc3F)N)C2=O)=O)CCC	106
+c1cc(ccc1)C2(c3ccccc3)CNCC2	15
+c1cc(ccc1)C2(c3ccccc3)Cc4[nH]nc(C#N)c4C=C2	331
+c1cc(ccc1)C2(c3ccccc3)CCN(C(CN4CCCC(c5ccc(cc5)F)(c6ccc(cc6)F)C4=O)=O)C2	10
+c1cc(ccc1F)C2(c3ccc(cc3)F)CCN(C2=O)CC(N4CC(c5ccccc5)(c6ccccc6)CC4)=O	10
+c1cc(ccc1)C23C(C(C(CC2)=O)C)CCc4c3nc(-c5ccccc5OC)nc4OC	97
+c1cc(ccc1)C2=C(C=CC=O)N(C)C(=O)c3c2cccc3	10759
+c1cc(ccc1)C2=C(c3ccc(OC)cc3CCC2)CCCCCCO	10760
+c1cc(ccc1)C=2CCCc3c(ccc(O)c3)C=2CCCCCCO	5
+c1ccccc1C=2C(=O)N3Cc4c(cccc4)C3=C(C=2)C(O)=O	2882
+c1cc(ccc1)C2CC(c3c2cccc3)CC(=O)OCC	3040
+c1ccccc1C2CCCc3sc(nc23)Nc4ccc(cc4)-c5nc(C)ns5	2522
+c1ccccc1CCNC(CN2c3ccccc3SC(c4ccccc4)C(C2=O)NC(c5[nH]c6c(cccc6)c5)=O)=O	9
+c1cc(ccc1)C2Cc3c(ccc(OC)c3)C2	165
+c1ccccc1C2c3c(C(C2)CCO)cccc3	44
+c1ccccc1C2CN(C)CCc3c2ccc(O)c3N	0
+c1ccccc1C2NCCOC2	15
+c1cc(ccc1)C2Cc3ccc(cc3C2)O	5
+c1ccccc1C2N(C(CC2COS(=O)(=O)c3ccc(cc3)C)=O)C	36
+c1cc(ccc1)C2OC(=O)CCC=CCC(CC(=O)NCc3ccc(cc3)Cl)C(=O)N(C)C2C	9
+c1cc(ccc1)C2CN(CCc3c2ccc(c3[N+]([O-])=O)O)C	5
+c1ccccc1C2c3c(C(C2CC)=O)c(c(Cl)c(O)c3)Cl	5
+C1(=O)c2ccccc2C(=O)N1CCN3C(C=CC(=N3)c4ccccc4)=O	332
+c1cc(ccc1)C=2C=CN(CCC(C)(S(=O)(=O)C)C(NO)=O)C(=O)C=2C	792
+C1CN(CCC1c2ccccc2)CCCC(Nc3ccccc3C(=O)N)=O	191
+c1ccccc1C2c3ccc(OC)cc3CCN2	2262
+C1CCCCN1CCOc2c3c(nc(O)cc3)c(cc2)Cl	3163
+c1cc(ccc1)C=CC(=O)Nc2cc(ccc2)OCC(=O)O	4
+c1cc(ccc1)C=CC(=O)Oc2c(cc(cc2)[N+]([O-])=O)N	0
+c1cc(ccc1)C=CC(Oc2c(N)cc(N)cc2)=O	0
+c1c2c(c(c(c1)F)C)nc(cc2)O	3163
+c12c(ccc(O)n1)cccc2F	3163
+c1cc(ccc1)C=Cc2onc(-c3ccc(cc3)Cl)c2COc4ccc(C(=O)OC)cn4	91
+c1ccccc1C=Cc2cc(ccn2)-c3[nH]c(C(C)C)c(C(N)=O)c3	10761
+c1cc(ccc1)C=Cc2onc(c2C(O)=O)-c3ccc(cc3)Cl	6
+c1cc(ccc1F)-c2noc(C=Cc3ccccc3)c2CO	5063
+c1cc(ccc1)C=Cc2c(c(no2)-c3ccc(cc3)Cl)CO	5063
+c1cc(ccc1)CC(O)C=CC2N(CCCCCl)C(CC2)=O	1565
+c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2	1565
+c1ccccc1CC(=O)c2ccc(cc2)CCCC(=O)OC	94
+c1cc(ccc1)CC(c2ccn(S(=O)(=O)c3ccccc3)c2)=O	432
+O=C1c2ccccc2C(=O)N1C3Cc4c(C3)cc(C(=O)Cc5ccccc5)cc4	94
+c1ccccc1CC(c2ccc(cc2)SC)=O	94
+c1cc(ccc1)CC(Nc2ccc(nn2)Cl)=O	195
+c1ccccc1CC(NC2C(N(Cc3c(OC)cc(cc3)OC)C2COC)=O)=O	21
+c1ccccc1-c2c(c3c(cc2CCCCC)cc(OC)cc3)O	10762
+c1ccccc1CC(C#N)C(O)=O	3
+c1cccc2-c3ccccc3C(c12)COC(=O)NCC(=O)NC(Cc4ccccc4)C(NCC(=O)O)=O	10763
+c1cc(ccc1)CCC(NC(Cc2ccccc2)C(OC)=O)=O	188
+c1cc(ccc1)CC(C(OC)=O)Nc2ncnc(Cl)c2	2581
+c1cc(ccc1)CC(CCn2c(COc3ccc(cc3)Cl)nc4c2cccc4C)C(OCC)=O	656
+c1cc(ccc1)CC(Oc2c(c3c(cc(-c4c(c5c(cccc5)o4)C(=O)CCCC)cc3)cc2)Br)C(O)=O	3
+C1CC1NC(=O)C(=O)C(Cc2ccccc2)NC(c3cccnc3-n4cc5ccccc5n4)=O	1363
+c1cc(ccc1)CC(C=O)NC(OCC)=O	378
+c1cc(ccc1)CC(C(NC(C(O)=O)CCCNC(=N[N+]([O-])=O)N)=O)NC(C(C)NC(OCc2ccccc2)=O)=O	10764
+c1cc(ccc1)C(=O)N(C(Cc2ccccc2)CC#N)C	115
+c1ccccc1CC(C(O)=O)CS(=O)(=O)C(C)(C)C(=O)N	210
+c1ccccc1CC(F)(F)CN2CCC(CC2)N	15
+c1cc(ccc1NC(C(Cc2ccccc2)NC(=O)Nc3ccc(cc3)Cl)=O)C4=NCCN4C	10765
+c1ccccc1C=2N(C(C(N(C(C)=O)C=2)C(C)C)=O)CC(NC(Cc3ccccc3)CO)=O	9
+c1cc(ccc1Oc2c3ncn(C4OCCCC4)c3ncn2)NC(NC(=O)Cc5ccccc5)=S	2095
+c1cc(ccc1)CC(NC(=O)c2cccnc2-c3csc(-c4ccccc4)n3)C(=O)C(NC5CC5)=O	1363
+c1ccccc1CC(NC2=NC=C(N(C2=O)CC(OCC)=O)Cl)CN	18
+c1cc(ccc1)CC(CCC2CCCC(N2CCCCOCC(=O)OC)=O)O	460
+c1cc(ccc1)CC2(CNc3cc(ccc23)Cl)C	15
+c1ccccc1Cc2cccc(C#N)n2	1304
+c1ccccc1CC2C(C(=O)OCC)(F)CNC2	25
+c1cc(ccc1)CC2CC(c3c(Cl)c(C(O)=O)ccc3S(=O)(=O)C)=NO2	1
+C1CC(CCC1Cc2ccccc2)=O	97
+c1cc(ccc1)CC2CCN(CC2)C(=O)C3NCC(C3)O	679
+C1CC(CCN1C(C2CC(O)CN2Cc3ccccc3)=O)Cc4ccccc4	1330
+C1CC(CCN1CCC#Cc2ccc3c(ccn3S(=O)(=O)c4ccccc4)c2)Cc5ccccc5	197
+c1cc(ccc1)CC2CN(C(=O)CCc3c4cc(ccc4n(c3-c5ccc(cc5)Cl)C)Cl)CCN2C	10
+OCC(CC=C)c1ccc(c(c1)Cl)Cl	2859
+c1cc(ccc1)CC2COC(=O)N2C(=O)C(OCC)C(O)c3c(cc(cc3)OCc4ccccc4)CC	4731
+c1cc(ccc1)CC2COC(=O)N2C(CC(c3nocc3)c4ccc(cc4)O)=O	16
+c1cc(ccc1)S(=O)(=O)c2ccc(cc2)CCC	2290
+c1ccccc1Cc2c3cc(Br)ccc3[nH]c2C	518
+c1cc(ccc1)CCC(=O)N2C(C)CC(C2)Cn3ncc4cc(-c5cn[nH]c5)ccc34	747
+C1CC(CCN1c2ccc(cc2)OC)NC(=O)CCc3ccccc3	9
+c1cc(ccc1)CCc2oc(C)c(CC(=O)OC)n2	10766
+c1ccccc1CCC(NC(Cc2ccccc2)C(=O)O)=O	4
+c1ccccc1CCC(NC2CSC(CN(CC(O)=O)C2=O)c3ccco3)C(O)=O	3
+c1cc(ccc1)C(c2[nH]cnc2)CCc3ccccc3	2152
+c1ccccc1CCCNc2cccc(Sc3ccc(cc3)CC(OCC)=O)c2	291
+c1ccccc1CCCOc2c(ccc(c2)C(=O)NCC)-n3nnc(c3)C(=O)OCC	8
+c1ccccc1CCCC(C(O)C)(c2nc(C)c3C(N=C(Cc4cc(c(cc4)OC)OC)Nn23)=O)C	100
+c1ccccc1CCCC(C(=O)C)c2nc(C)c3C(=O)NC(=Nn23)Cc4cccc5ccccc45	5012
+c1cc(ccc1)CCCC(C(=O)C)(c2nc(C)c3C(=O)N=C(Nn23)Cc4ccc(OC)c(OC)c4)C	3164
+c1cc(ccc1)CCCC(c2nc(c3C(N=C(Cc4cc(c(cc4)OC)OC)Nn23)=O)CC)C(C)=O	3164
+c1cc(ccc1)CCCC(C(NC(c2nnc(Cc3ccc(OC)c(OC)c3)nc2O)CC)=O)C(=O)C	2299
+c1ccccc1CCCC(C(O)C)c2n3N=C(NC(=O)c3c(CC)n2)Cc4cc(OC)c(cc4)OC	5064
+c1cc(ccc1)CCCCCCCCOCC(O)CN	18
+c1cc(ccc1O)C(O)CCCc2ccccc2	758
+c1cc(ccc1)C(c2ccccc2)(CCCN(CCc3ccccc3)C)C(N)=O	53
+c1cc(ccc1)CCN2CCC3c4cccc(c4CCC23)O	5
+c1cc(ccc1)CCN2C3C(CC2)c4cccc(c4CC3)OC	15
+c1cc(ccc1S(=O)(=O)NCC(C2(CC(C)C)CCN(CCc3ccccc3)C2=O)C(=O)NOCc4ccccc4)OC	293
+C1CC(CCN1CCc2ccccc2)N	733
+c1ccccc1CCNC(C(Nc2ccc(Oc3c4c(ncc3)cc(c(OC)c4)OCc5ccccc5)c(c2)F)=O)=O	242
+c1ccccc1CCSc2ccc(cc2)C=O	607
+c1cc(ccc1[N+]([O-])=O)SCCc2ccccc2	972
+c1cc(ccc1)CCc2c3cc(ccc3ncc2)C(=O)c4ccc(cc4)Cl	4898
+c1cc(ccc1)CCc2oc(C)c(CCO)n2	21
+c1cc(ccc1)CCc2nc(c(C)o2)CC(=O)O	4
+c1cc(ccc1OCc2ccccc2)CC(C(=O)O)O	139
+c12c(cccc1)CC(C2)(CO)c3cn(cn3)Cc4ccccc4	2330
+c1cc(ccc1)CN2C(=O)C(OCC2C)C	10767
+c1cc(ccc1)CN(CC(COc2ccccc2)O)C(Cc3ccc(cc3)NC(=O)c4ccc(cc4)C(=O)OC)CO	67
+c1cc(ccc1)CN(C2C(CN(CCc3ccc(cc3)F)CC2)C(=O)OCC)C	236
+C1CC(CCC1N2CCc3c(ccnc3)C2)N(Cc4ccccc4)C	85
+c1cc(ccc1)CN(C)C2CCC(CC2)=O	97
+c1cc(ccc1)CN(C2C(CO)CN(CC2)CCc3ccc(cc3)F)C	21
+c1cc(ccc1F)C(CN(C)Cc2ccccc2)O	74
+c1ccccc1CN(C)CC(=O)CCc2ccccc2	4456
+N(C)CC1CNC(c2cccc3[nH]cc1c23)=O	25
+c1cc(ccc1)CN(C)Cc2ccc(N)c(OC)c2	0
+c1cc(ccc1)CN(C)C2CCN(CCc3ccc(cc3)F)CC2C(O)=O	3
+c1cc(ccc1C(Nc2ccc(cc2)CC(N(CC(COc3ccccc3)O)Cc4ccccc4)CO)=O)C(=O)O	1
+C1=C(CC)C(NC(N1C2OC(C(O)C2)CNC)=O)=O	25
+c1cc(ccc1)CN(CCc2cccnc2Cl)CCO	15
+c1cc(ccc1)CN(CCOC(C=2C(C(=C(C=O)NC=2C)C(=O)OCC)c3cc(ccc3)[N+]([O-])=O)=O)C	10768
+c1cc(ccc1)CN(CCOC(=O)C=2C(C(=C(NC=2C)CO)C(=O)OCC)c3cc(ccc3)[N+](=O)[O-])C	10769
+c1cc(ccc1)CN2CCOc3c(cccn3)CC2	91
+c1cc(ccc1)CN(Cc2ccccc2)C(C3CCNCC3)=O	2
+c1cc(ccc1)CN(Cc2ccccc2)C(C(O)=O)C(C3CC3)O	3
+c1ccccc1CN(Cc2ccccc2)CC3CCNCC3	15
+CC(C)(O)C(Nc1cccc2c1CCC(N)C2)=O	932
+c1ccccc1CN(Cc2ccccc2)CC(c3cc(c(cc3)O)NC=O)O	16
+c1(N)cnc(cc1)CN(CCO)C	10770
+c1ccccc1CN(Cc2ccccc2)c3cccc(c3CO)[N+]([O-])=O	41
+C1CC1(O)c2c(cccc2)N	5065
+O=S(=O)(N(Cc1ccccc1)CCN2Cc3ccccc3C(C(=O)C2)(O)C4CCC4)c5ccccc5[N+](=O)[O-]	86
+c1ccccc1CC2=Cc3c(N(Cc4ccccc4)C2=O)cnc(c3O)C(OC)=O	10771
+c1cc(ccc1)CN2CCCCC(N)C2	15
+c1cc(ccc1)CN2CC(C)OCC2C	15
+c1ccccc1CN2CC(C(N)C)CC2=O	733
+c1cc(ccc1)CN2CC(CC2)c3c[nH]c4c3c5c(cc4)OCC=C5	15
+c1ccccc1CN2C(=O)CCC2C(=O)NC(C(C(OCC)=O)O)Cc3ccccc3	9
+c1ccccc1CN2C(=O)c3ccccc3-c4cc(ccc24)CC5C(NC(=O)S5)=O	534
+c1cc(ccc1)CN2C=CC=C(C2=O)O	2285
+O1C(C)C(C(=O)O)NCC1	3165
+c1cc(ccc1)CN2CC(CO)CCCC2C	10772
+c1cc(ccc1)CN2CC(OCC2)Cc3ccc(F)c(C)c3	15
+OC(C1NCC(OC1)C)C	25
+c1cc(ccc1)CN2C(CC(N)C2)C(=O)OC	18
+c1ccccc1CN2C(C(C)OCC2)C(OCC)=O	15
+c1cc(ccc1)CN2C(C(O)C)COC(C2)C	15
+c1cc(ccc1)CN2C(C(=O)O)C(OCC2)C	210
+CC1(C)N(Cc2ccccc2)CC(C(C)C)NC1	15
+c1cc(ccc1F)N2CC(C)(C)N(CC2)Cc3ccccc3	79
+C1CCCC(n2cc(-c3cc4cnn(CC5CC(NC5)C)c4cc3)cn2)O1	25
+c1ccccc1CN2CC(C)(C)OCC2C3(CC3)O	15
+C1(NCC2CC(CC12)C)CO	25
+c1cc(ccc1)CN2C=CC(O)=CC2=O	10773
+c1cc(ccc1)CN2C(C=CC(N3c4c(CC3C(=O)O)cccc4)=N2)=O	4
+c1(C)c(F)ccc(OCC2CCCC(NC2)C)c1	25
+c1cc(ccc1N(CCOC)C(C2CN(c3ccc(cc3)OCC)CCN2Cc4ccccc4)=O)N	0
+c1cc(ccc1)CN2C(CC)C(C)OCC2	15
+C(O)CC1NCCOC1	25
+c1ccccc1CN2C3(CCC2)CNCC3	15
+FC1(F)CC2CC(CC1N2)(O)CC(=O)OCC	25
+C1NC2CC(NC(=O)Nc3ccc(F)c(F)c3)CCC2(C1)c4ccc(c(OC)c4)OC	25
+FC1(F)CC2CC(CC1N2Cc3ccccc3)O	59
+c1cc(ccc1)C2(CC3CCC(C2)N3)C(=O)O	25
+c1(c2c([nH]cc2)ncc1)N(C)C3C(C)CCNC3	25
+c1cc(ccc1)CN2CCC(C(c3ccc(cc3)Cl)C2)C(Nc4ccc(C#N)cn4)C	340
+c1cc(ccc1)CN2CC(CC2)C(=O)N	15
+c1cc(ccc1)CN2CC(CC2)CN	10774
+C1(C)C(CCNC1)=O	25
+OC(CC1(OCC(C)NC1)C)C	25
+CCC1C(CCNC1)=O	25
+c1cc(ccc1)CN2CC(CC2)CN	15
+c1cc(ccc1)CN2CCC(CO)C2	647
+c1ccccc1-c2ccn(CC(NCC3CN(Cc4ccccc4)CC3)=O)n2	9
+c1c(cc2cc(C(Nc3cc(F)cnc3)=O)[nH]c2c1)C4CCNC4	25
+c1cc(ccc1)CN2CC(CC2=O)C(C)=O	10775
+c1(cc2c(OCO2)cc1)CC3CNCCC3	25
+O=S(=O)(N1C2C(N(C(NC3CNCCCC3)=O)CC2)C1=O)O	25
+c1cc(ccc1)COC(N2CCOC(CCOC(C)=O)C2)=O	1600
+CC1N(CCNC1)C(=O)C	25
+CCOC(=O)N1CCNCC1C	25
+c1cc(ccc1F)Cn2c3c(cccc3)nc2NC4CCN(CC4)C5CCCNC5	25
+C(CNC1CCNC1)C#N	25
+c1c(C)c2c(ccc(OC)c2)nc1NC3CNCC3	25
+C1CC12C(CNCC2)O	25
+c1cc(ccc1)CN2CC(Oc3ccc(cc3)[N+]([O-])=O)CC2	20
+c1(cc(ccc1F)CC2CNCCO2)C	25
+c1ccccc1CN2CC(c3ccc(c(c3)Cl)Cl)C(N)C2	157
+c1cc(ccc1)CN2CC(CC2)c3cc4c([nH]c(C(Nc5cncc(c5)F)=O)c4)cc3	510
+c1cc(ccc1)CN2CC3c4c(C(=O)C3CC2)ccs4	1487
+C1CN(CCC12CNCC(c3ccc(cc3)Cl)O2)C(c4ccc(c(C)c4)OC(C)C)=O	25
+c1cc(ccc1)CN2CC3C(CCC3C2)N	18
+N1CC2C(C1)C(CC2)O	25
+C1CC2CNCC2C(O)(c3c(cccc3)OC)C1C	25
+c1cc(ccc1)CN2CC3C(CC(C2)C3)=O	86
+c1cc(ccc1)CN2CC3C(O)CC(C2)C3	59
+C1C2CN(CC(CN1)C2)Cc3ccccc3	25
+c1ccccc1COc2ccc3c(c2)COC4CNCC34	25
+c1cc(ccc1)CN2CC3OCc4c(C3C2)ccc(OCc5ccccc5)c4	15
+c1cc(ccc1)CN2CCC3Cc4c(scc4)C3C2	5007
+c1cc(ccc1)CN2CCC3Cc4c(ccs4)C3C2	2501
+C1CC(CCN1Cc2ccccc2)c3ccc(cc3)OC	191
+c1cc(ccc1)CN2CC(C(CC2)C(C)N)c3ccc(cc3)Cl	733
+c12c(N(C)C3C(C)CCNC3)ncnc1[nH]cc2	25
+CCOC(C1CCNCC1O)=O	25
+c1cc(ccc1Cl)C2CNCCC2C(C)Nc3ccc(C#N)cn3	25
+c1cc(ccc1)CN2CC(CC2)CCN	51
+c1cc(ccc1)CN2CCC(Oc3cc(ccc3-c4ccncc4)F)C2	498
+c1cc(ccc1O)-c2cc(C(NC3(CCN(CC3)Cc4ccccc4)C)=O)c5c(C)nn(c5n2)C6CCCCO6	14
+C1CC(CCN1Cc2ccccc2)(Nc3ccccc3)CO	95
+C1CNCCC1(O)C(=O)OC	25
+C1CC2(CCN1Cc3ccccc3)OCc4ccncc24	10776
+C1CC1S(=O)(=O)C2(CCNCC2)c3cc(nc(n3)Cl)N4CCOCC4C	25
+CN(C)C1(CCN(CC1)Cc2ccccc2)c3cnccc3	2062
+C1CC(CCN1Cc2ccccc2)CCCCC#N	1101
+c1cc(ccc1)CN2CCC(CC2)=CCCCC#N	10777
+c1cc(ccc1OCCC)C2(CCN(CC2)Cc3ccccc3)O	251
+C1CC(CCN1Cc2ccccc2)(O)c3ccc(cc3)OC	251
+C1CC(CCN1)COc2ncc(-c3ccc(cc3)S(=O)(=O)C)cc2	25
+C1CC(CCN1)N(CCO)CCCO	25
+C1CC(CCN1)NCC(O)COc2cccc3c2c4c([nH]3)cccc4	25
+C1CC(CCN1)Nc2cccnc2-c3nc4cc(OC)cc(OC)c4c(O)n3	25
+c1cc(ccc1C(c2c(Cl)cccc2)OC3CCNCC3)Cl	25
+C1CNCCC1n2c3ccccc3cc2	25
+c1cc(ccc1)CN2CC=C(CC2)COCc3ccccc3	10778
+c1cc(ccc1)CN2CCC(OC(=O)c3cc(c(N)cc3)OC)C2	0
+c1cnccc1-c2c(cc(cc2)F)OC3CCNC3	25
+C1CC2(CCN1Cc3ccccc3)Cc4c(C2)ccc(OC)c4	414
+C1CNCCC12COC(=N2)c3ccc(cc3)OCCCN4CCCC4C	25
+C1CNCCC12c3ccncc3NC2=O	25
+c1cc(ccc1)CN2CCC3(CCC2)Oc4c(cc(C=CC(O)=O)cc4)C(C3)=O	127
+C1C2Cc3c(C2CNC1)ccs3	25
+C1C2Cc3ccsc3C2CNC1	25
+N1CC(c2cc(ccc2)OC)=CCC1	5066
+c1cc(ccc1)CN2CCCC(Oc3c4c(c(oc4ncn3)-c5ccccc5F)-c6ccc(cc6)OC)C2	2741
+c1cc(ccc1)CN2CCCC(Oc3nnc(cc3)-n4cncc4)C2	485
+c1cc(ccc1)CN2CC(CCC2)Cc3ccc4OCOc4c3	15
+c1cc(ccc1-c2c(-c3ccccc3F)oc4c2c(OC5CCCNC5)ncn4)OC	25
+C1C(CNCC1)Oc2nnc(-n3ccnc3)cc2	25
+C1(CCCCNC1)CO	25
+c1ccccc1CN2C(CNCC2)CCOC	25
+C1CCN(C1)C2C3N(C(Cc4cc(c(Cl)cc4)Cl)=O)CCNC3CCC2	25
+C1CC(CCN1c2ncncc2)C(N3CCN(CC3)Cc4ccccc4)=O	54
+c1cc(ccc1)CN2CCN(CC2)C(=O)Nc3nccc(Oc4cnc(cc4)N)c3	161
+c1cc(ccc1)CN2CCN(CC2)c3ccc(c(c3)C(O)=O)N	0
+C1CNCCN1c2nccc3c2cc(N(C)C)cc3	25
+C1CN(CCN1)c2ncccc2C(=O)OCC	25
+C1CN(CCN1c2c(CO)cccn2)Cc3ccccc3	351
+c1cc(ccc1)CN2CCNCCC2	215
+c1cc(ccc1Cl)-c2n(C)c3ccc(cc3c2CCC(=O)N4CCN(CC4)Cc5ccccc5)Cl	10
+c1cc(ccc1N2CCN(CC2)Cc3ccccc3)C#N	34
+C1CN(CCN1C(CNC(=O)c2ccc(cc2)Oc3ccccc3)=O)Cc4ccccc4	10
+C1CN(CCN1CC=2C(=O)N(CC(C)C)N=C(c3ccc(cc3)C)C=2)Cc4ccccc4	3909
+c1cc(ccc1F)NC(CCN2CCN(CC2)Cc3ccccc3)=O	1531
+c1cc(ccc1N2CCN(CC2)Cc3ccccc3)[N+]([O-])=O	34
+c1cc(ccc1)CN2CCOC(CCCN)C2	51
+c1cc(ccc1)CN2CC(CCO)OCC2	44
+c1cc(ccc1)CN2CCOC(COc3ccc(cc3)Br)C2	450
+c1cc(ccc1-c2ccnc(C)c2)OCC3CNCCO3	25
+c1(c2CNCc2ccc1)C#N	25
+c1cc(CO)cc2CNCc12	25
+c1cc(ccc1)CN2Cc3c(ccc(CO)c3)C2	98
+c1ccccc1CN2N=C(C(=CC2=O)C(N=[N+]=[N-])C)c3ccccc3	10779
+c1cc(ccc1)CN2N=C(C(=CC2=O)C(O)C)c3ccccc3	10780
+c1cc(ccc1)CN2N=CC(=C(C2=O)OC)c3ccc(cc3)C	10781
+C1CC1(NC(=O)c2nc(-c3cccnc3)c4N(Cc5ccccc5)C(C(=Cc4c2O)c6ccccc6)=O)C(=O)O	3
+c1cc(ccc1)CN2c3c(ccc(Cl)c3)OC(C(=O)O)C2	3
+c1cc(ccc1)CNC(=O)N2C(C(N3C(C(O)CCO)CCC3)=O)CCC2	44
+c1ccccc1CNC2(CC2)c3ccc(cc3)C#Cc4ccc(cc4)C(=O)OCC	129
+c1cc(ccc1)CNC2CCN(CC2O)CCN	51
+CCOC(C1COCCC1N)=O	273
+c1cc(ccc1)CNC2C=Cc3c(CC2)ccc(c3)N	0
+c1cc(ccc1)CNC2CCC(CC2)CN	102
+C1CC(CCC12COC2)N	273
+C1(CCCN(C(=O)OCC)CC1)N	273
+n1cccnc1NCCN2CC(O)C(CC2)NCc3ccccc3	96
+NC1CCc2ccc(OC)cc2C1	273
+c1cc(ccc1)CNC2C=Cc3c(ccc(c3)[N+]([O-])=O)CC2	1358
+c1cc(ccc1)CNC2CCc3c(cc(cc3)[N+]([O-])=O)C(O)C2	74
+c1cc(ccc1)CNCCCNc2cc(c(cc2N)C)C	0
+c1cc(ccc1)CNCCn2c3ncnc(N)c3c(n2)-c4cc(cc(O)c4)F	5
+c1cc(ccc1)CN(O)C(=O)c2nccc(N(C)Cc3ccccc3)c2	1006
+c1cc(F)c(N)cc1C2C(C2)C(OCC)=O	1197
+Nc1c(C(=O)OC)cnc(Cl)c1	1197
+c1ccccc1CNc2cc(Br)ccc2N	0
+c1ccccc1CNc2ccc(-c3oc4c(cccc4)n3)cc2N	0
+c1cc(ccc1)CNc2nc(C)c(C(CCC)C(=O)O)c(-c3ccc(cc3)C)n2	4
+CC(C)n1nc(-c2sc(Cl)cc2)c(-c3ccnc(N)n3)c1	10782
+c1cc(ccc1)CNc2nc3ccc(O)c(C(=O)O)c3nc2-c4ccccc4	5
+c1ccccc1COC(Nc2ncc(CCCC)cc2)=O	10783
+c1cccc2CC(Cc12)(C)NC(OCc3ccccc3)=O	3790
+c1ccccc1COC(c2ccc(cc2)CC(C)=O)=O	279
+c1cc(ccc1)COc2c3c(cnn2)cc(C)n3Cc4ccc(cc4)OC	10784
+c1cc(ccc1F)OCc2cc(ncc2)OCc3ccccc3	91
+c1cc(ccc1C(C(C)C)C(=O)OCc2ccccc2)[N+]([O-])=O	1699
+c1cc(ccc1)C2=CC(C(OCc3ccccc3)=O)=C4c5c(CN4C2=O)cccc5	10785
+c1ccccc1COc2ncc3nc([nH]c3n2)-c4c(cc(OCc5ccccc5)cc4)OC	482
+c1cc(ccc1)COc2ccnc(n2)Cl	145
+c1ccccc1COC(=O)C2C(CC(CN2)OC)C(OC)=O	3165
+N1C(=O)NC(=O)C12CC(C(=O)O)CC2	210
+c1ccccc1-n2nc(cc2OCC(N3CCCC3C(O)=O)=O)C(OCC)=O	210
+CCN1CC(CC1)C(=O)O	210
+c1c(C)c(c(cc1)C)NC(Nc2c(cc3ccccc3c2)C(N(CC(=O)O)CC4CCCCC4)=O)=O	210
+c1ccccc1CCN=C2NC(=C(C)N(C2=O)CC(=O)OCc3ccccc3)Cl	10786
+c12c(cccc1)C(=O)N(C2=O)CCCC(NC)CO	62
+c1cc(ccc1C)S(=O)(=O)OCCCN(C(OCc2ccccc2)=O)CC	36
+c1cc(ccc1)C2(C3C(CCCC3)NCC2)O	62
+c1cc(ccc1S(=O)(=O)OCC2CN(CC2=NOC)C(=O)OCc3ccccc3)C	36
+C1NCC(Nc2c(C(=O)N)cnn3c2cc(c3)Br)C1C	62
+c1cc(ccc1)COC(N2CCCC(C2)C(C)N)=O	18
+C1(C(OCCF)CNC1)Nc2c(nc(c(CC)n2)-c3ccc(OC)cc3Cl)CC	62
+c1cc(ccc1)COC(N2CC(C(N)C2)OC)=O	18
+c1cc(ccc1)COC(N2CC(C(N)C2)C)=O	18
+c1cc(ccc1)COC(=O)N2CC(F)C(C2)N	18
+C1CCCC(n2cc(-c3cc4c(cc3)n(cc4)CC5CNCC5)cn2)O1	62
+c1cc(ccc1I)-c2c(c(n(C3CCCN(C3)C(OCc4ccccc4)=O)n2)N)C#N	2356
+c1cc(ccc1F)-c2nc(oc2)C3CCCNC3	62
+c1cc(ccc1)COC(=O)N2CCCCC(C2)C=O	24
+COC1C(Nc2c(C(=O)N)cnn3c2cc(c3)Br)CNC1	62
+c1cc(ccc1)COC(=O)N2CC(Nc3nc(CC)cnc3CC)C(C2)O	464
+c1cc(ccc1S(=O)(=O)OC2C(CC)CN(C(=O)OCc3ccccc3)C2)C	36
+O1CCNCC1CCC#N	62
+CC(C)c1nc(c(cc1)-c2c(C)cc3c(c(C)cn3C4CNCC4OCCF)n2)OC	62
+c1ccccc1C2(CC3C(CNC3)C2)O	62
+c1cc(ccc1)COC(N2CCC(C(N)c3ncco3)C2)=O	18
+c1cc(ccc1S(=O)(=O)OCC2CN(CC2)C(=O)OCc3ccccc3)C	36
+C1CC(CCN1C(OCc2ccccc2)=O)c3ccccc3SC	564
+C1CNCCC1C2CC2CCO	62
+C1CNCCC1C2CC2CCOc3cc(F)c(CC(=O)N4CCC4)cc3	62
+c1cc(ccc1)COC(=O)N2CCC(CC2)CCCCCO	44
+c1cc(ccc1C)S(=O)(=O)OCCCCCC2CCN(CC2)C(=O)OCc3ccccc3	36
+C1CN(CCC1C=O)C(OCc2ccccc2)=O	24
+C1CNCCC12CC(c3c(O2)cccc3)=O	62
+c1cc(ccc1)COC(=O)N2CC(CCC2)c3occ(n3)-c4ccc(cc4)F	2435
+c1cc(ccc1)COC(N2CCCC(CN)C2)=O	18
+c1cc(ccc1)COC(N2CC(O)C(N)CCC2)=O	18
+c1ccccc1NCC2CN(C(OCc3ccccc3)=O)CCCC2	291
+C1CN(CCN1C(OCc2ccccc2)=O)CC3CN(CCC3)CCCc4ccc(cc4)S(=O)(=O)C	1306
+C1CNCCN1c2cc3c(n[nH]c3cc2)S(=O)(=O)c4c5c(ccc4)cccc5	62
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3nc(c4c(n3)cccc4)OC5CC(C=C5)O	10787
+C1COCCN1c2c3c(CCNCC3)nc4ccnn24	62
+C1OC(CCC1)ONC(c2cc3c(cc2)CNCC3)=O	62
+NC(CCCCCC(NC)=O)c1[nH]c(-c2c(nc3c(cccc3)c2)OC)cn1	102
+c1(c(nc2c(cccc2)c1)OC)-c3cnc(o3)C(CCCCCC(NC)=O)N	102
+c1cc(ccc1)CC(NC(=O)OCc2ccccc2)C=O	24
+c1cc(ccc1)COC(NC2CCCCC2C=O)=O	24
+c1ccccc1Cn2c3C(N(c4c(cccc4)-c3nc2C5CCCC(C5)N)C)=O	102
+c12c(cc(F)cc1)CCC(N(CC3CCCCC3N)C)C2	102
+C(OCC)(N1CCC(N)C(OCC)C1)=O	102
+c1cc(ccc1F)N2C(=O)c3ccccc3N=C2CNC(OCc4ccccc4)=O	10788
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(=O)Oc2ccc(cc2)[N+](=O)[O-]	2850
+c1cc(ccc1)COC(=O)Nc2c3ccccc3c(c([N+](=O)[O-])c2)CC(=O)O	3
+c1cc(ccc1)COC(=O)Nc2cc([N+]([O-])=O)c(CCO)c3c2cccc3	21
+c1cc(ccc1)COC(=O)Nc2cc3c(c4c(cnc(C(O)=O)c4[nH]3)-c5ccccc5F)cc2	6
+c1cc(ccc1)COC(c2c([nH]nc2C=O)C)=O	178
+c1cc(ccc1)-c2c(c3c(cc(OC)cc3)n2S(=O)(=O)c4ccccc4)Cc5nc(ccc5)C(O)=O	426
+c1c(C)c(OCC(=O)OCC)ccc1Oc2cc(C(=O)O)ccc2	426
+c1ccccc1COC(=O)c2n(ccc2)-c3cc(ccc3)C(O)=O	1
+c1cc(ccc1)COC(=O)c2cccc(Cc3c4c(n(S(=O)(=O)c5ccccc5)c3-c6ccccc6)cc(OC)cc4)n2	367
+CC(C)(CCOC(=O)CCCCCCCCC)C(O)=O	210
+c1ccccc1COC(C(CC(C)C)C(O)=O)C(OC)=O	2819
+CC(C)CC(NC(=O)C(C)NC(=O)C(C)NC(C)=O)C(=O)O	210
+c1ccccc1COC(C)C2=NNC(N2CCC)=O	2082
+C1CC(CCC1C(=O)OCc2ccccc2)C=COC	10789
+C1CC(CCC1C(=O)O)CC(=O)OCC	210
+c12c(cccc1Cl)c3CC(C(=O)O)CCc3n2CC(OCC)=O	210
+c12-c3ccccc3C(c1cccc2)(O)C(N4C(C(O)=O)CCC4)=O	210
+c1ccccc1COC(NC(Cn2ncc3ccc4c(cc(o4)C(=O)OCc5ccccc5)c23)C)=O	10790
+c1cc(ccc1)COC(=O)CC2(CCCC2)C(NC(c3nnn[nH]3)Cc4ccc(cc4)-c5cc(Cl)ccc5)=O	9
+C(COC)N(CCOC)CC(=O)O	210
+C1CN(CCN1c2ccc(cc2)Br)C(OCc3ccccc3)=O	66
+c1cc(ccc1)COC(N2CCC3(CC2)C(Nc4ccc(Cl)cc4C(c5ccc(cc5)Cl)=N3)=O)=O	66
+c1cc(ccc1CCNC(OCc2ccccc2)=O)N	101
+c1cc(ccc1C(=O)O)CNC(OCc2ccccc2)=O	101
+c1cc(ccc1CN2c3c(NC4C(CCC4)C2=O)cccc3)NC(=O)OCc5ccccc5	90
+O=S(=O)(c1ccc(cc1)NC(OCc2ccccc2)=O)N3CCC(CC3)NC(=O)C=C	90
+c1cc(ccc1N2CCN(CC2)C(OCc3ccccc3)=O)[N+]([O-])=O	66
+c1ccccc1COC(Nc2ccc(cc2)O)=O	90
+c1ccccc1COC(=O)NC(C(O)=O)Cc2ncn(CC=C)c2	544
+c1cc(ccc1)COC(=O)Nc2ccc(c(c2)F)-n3nc(cc3)-c4ccccn4	90
+n1cc(cnc1NCC2CCN(CC2)C(=O)OCc3ccccc3)-c4ccc(cc4)S(=O)(=O)C	66
+c1ccccc1COC(NC(Cn2c3c(cn2)ccc(O)c3)C)=O	101
+c1cc(ccc1F)C(c2cc(cnc2)CN3C(C(NC(=O)C(C)N(C)C(=O)OCc4ccccc4)=CC=C3Br)=O)=O	10791
+c1cc(ccc1)COC(N(Cc2c(-c3c(OC)ccc(c3)CC(OCC)=O)ccc(c2)N)CC)=O	0
+c1cc(ccc1)COC(=O)N2C(CCCC2CC=O)C(=O)OC	1156
+c1cc(ccc1)COC(=O)N2CC(=NOC)C(CO)C2	44
+N1CC(CC)C(Nc2c(C(=O)N)cnn3cc(-c4cnc(cc4)CNC(=O)COC)cc23)C1	62
+C1C(CN1)C(N2CCN(C3CCC3)CCC2)=O	62
+c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O	18
+c1(OC)n(c2nc(nc(N)c2n1)OC(CCC)C)CCC3CCCNC3	62
+c1cc(ccc1)COC(N2CC(C(C2)=NOC)CN)=O	18
+c1ccccc1COC(N2CCCC(NC(c3ccccn3)=O)C(O)C2)=O	81
+C(OC1CNCC1Nc2nc(cnc2CC)CC)C	62
+c1cc(ccc1)COC(N2CCOC(CNC(Nc3ccc(cc3)Cl)=O)C2)=O	282
+c1(C(N)C2CCNC2)ncco1	62
+C1CNCCC1n2ccc3c2cc(C(=O)N)cc3	62
+c1cc(ccc1)COC(N2CCC(CC2)n3c4c(cc3)ccc(C(O)=O)c4)=O	1
+C1CNCCC1n2ccc3c2cc(C(=O)NC)cc3	62
+c1cc(ccc1)COC(=O)N2CC(CC2)(F)CO	59
+C1CC(CCC1)N(CC(OC)=O)C2CCNC2	62
+c1cc(ccc1C2=NC3(CCNCC3)C(=O)Nc4ccc(cc24)Cl)Cl	62
+c1cc(ccc1)COC(N2CC(CCC2)CCCCn3c4nc(OCCCC)nc(c4nc3OC)N)=O	2658
+C1CNCCN1C(=O)C(CC(C)C)NC(c2cc3ccccc3s2)=O	62
+O=S(=O)(c1ccc(cc1)O)NCC(N2CCN(CC2)C(OCc3ccccc3)=O)C(OC)=O	71
+c1cc(ccc1)COC(N2CCOC(CCO)C2)=O	59
+C1(CNc2c(O1)cccc2)COCC=C	2931
+c1cc(ccc1)COC(NC(C)(C)C=2N(C)C(C(=C(N=2)C(=O)NCc3ccc(cc3)F)OC(=O)c4ccccc4)=O)=O	10792
+c1cc(ccc1F)CNC(C2=C(C(=O)N(C)C(C(C)(C)NC(=O)OCc3ccccc3)=N2)O)=O	10793
+c1(c(C2=NC(C)C(Nc3ccc([N+]([O-])=O)cc23)=O)cccc1)F	10794
+c1ccccc1COC(=O)NC2C(CC(=O)CC2)NC(OCc3ccccc3)=O	86
+o1c(nc(C(=O)OCCCC)c1CC)N2CC(OCCC)C(N)CC2	102
+c1cc(ccc1)COC(=O)NCC(Nc2c(C(=O)O)cccc2)=O	1
+C1(CN)CCN(c2nc(-c3ccccc3O)nc4ccc(cc24)F)C1	102
+c1cccc(-c2nc(c3c(n2)cc(C)cc3)N4CCCC(CN)C4)c1O	102
+c1cc(ccc1)COC(Nc2ccc(cc2)Oc3ccc(nc3)N)=O	161
+c1cc(ccc1)COC(Nc2ccc3c(c2)[nH]cc3C(c4ccccc4F)CN)=O	157
+c1(cc2c(c[nH]c2cc1)Cc3c(cc(C(=O)OC)cc3)OC)C(=O)O	426
+c1cc(ccc1)COCc2ccc(C)c(c2)OCc3ccccc3	49
+C1CC1n2nc3ccc(cc3c2C)N4C=CC(O)=CC4=O	923
+C1CC1c2nc3ccc(cc3n2C)N4C(=O)C=C(O)C=C4	923
+Cc1n(nc2ccc(N3C=CC(O)=CC3=O)cc12)C	923
+c1(cccc(F)c1)CN2C(=O)C=C(O)C=C2	923
+C1=CC(O)=CC(N1CCCC)=O	923
+C1CC1c2c(C)n3c(ccc(c3)N4C=CC(O)=CC4=O)n2	923
+C1CN(CCC1c2ccc(N3C(OC(C3)CN=Cc4ccccc4)=O)cc2F)C(COCc5ccccc5)=O	58
+c1cc(ccc1)COCC(C(=O)Nc2cc(cnc2Cl)Cl)Oc3c(F)c(C#N)c(F)cc3	274
+c1cc(ccc1)COCC(CO)c2c(cc(cc2)Br)C	21
+c1ccccc1COCC(C)(C)C(=O)N(c2ccccc2)CC(=O)OCC	10795
+c1cc(ccc1C)-n2nc(cc2N)C(C)(C)COCc3ccccc3	752
+FC(F)(CO)CCCOC	118
+c1cc(ccc1)COCC(Nc2c(ccc(OC)n2)[N+]([O-])=O)CO	70
+c1cc(ccc1)COCC(C(O)=O)Oc2c(c(C(=O)N)c(F)cc2)F	4
+OB(O)c1ccc(C(CF)CO)c(C)c1	118
+c1cc(ccc1)COCC2C(=C)CCCC2	2114
+c1ccccc1COCC2CNCCN2	10796
+C1C(CC1=O)COCc2ccccc2	2744
+c1cc(ccc1)COCC2CN(c3ccn(n3)C)C(C2)=O	4034
+C1C(CC1N2C(NC(C(F)=C2)=O)=O)CO	118
+c1ccccc1C2(C(C2)CO)CN(S(=O)(=O)c3ccccc3)C	118
+OCC1COCc2nc3c(N)nc4c(c3n12)cccc4	118
+OCC1COCc2nc3cnc4ccccc4c3n12	118
+c1cc(ccc1)COCC2COCc3nc4c(c5ccccc5nc4N)n23	445
+c1cc(ccc1)COc2c(OCc3ccccc3)ccc(-c4ccc(cc4)C(OCCOCc5ccccc5)=O)c2	1908
+c1cc(ccc1)COCCOC(C)COc2ccc(cc2)OC	176
+c1cc(ccc1)COCCCN2C(=O)C3(c4c(OC3)cc5OCOc5c4)c6ccccc26	20
+c12OCOc1cc3C4(C(N(c5c4cccc5)CCCO)=O)COc3c2	118
+c1cc(ccc1)COCCCN2c3ccccc3C(C2=O)c4c(O)cc5OCOc5c4	462
+C1CN(CCC1)c2nc(C#N)nc3N(CCO)CCNc23	118
+c1cc(ccc1)COCCOC(C)CO	10797
+C(OC(=O)CCOCCO)C	118
+c1ccccc1COCCOc2c(cc(OC)cc2)CNc3cc(F)ccc3Oc4ccccc4	208
+c1cc(ccc1)COCN2C(C(=C(N(C)C2=O)c3c(cc(cc3)O)C)C)=O	241
+c1ccccc1COc2c(C)ccc(CO)c2	118
+c1(c2cc(ccc2nc(n1)CO)OC)NCc3ccc4OCOc4c3	118
+C1CC1Oc2c(ccc(-c3[nH]c4c(c(O)nnc4)c3Cc5ccccc5F)c2)OC(F)F	10798
+c1cc(ccc1)COCn2cc(CCCC=O)c3nc(CCCC)nc(c23)N	24
+c1cc(ccc1)COCn2c3c(nc(CCCC)nc3c(CCCCO)c2)N	2065
+c1cc(ccc1)CON2CC=CCC(NS(=O)(=O)c3ccc(cc3)F)C2=O	1946
+c1ccccc1CON2c3c(cc(C(O)=O)cn3)C(=C(C(OCC)=O)C2=O)O	1
+c1cc(ccc1)CON2C(=O)N3C(CCC2C3)C=O	24
+c1cc(ccc1)CON2C(N3CC2CCC3C(=O)O)=O	4
+c1cc(ccc1)CON2C(N3CC2CCC3C(=O)O)=O	3
+c1cc(ccc1)CON2C3CCC(CO)N(C3)C2=O	44
+c1cc(ccc1)CON2CC(CCCCC=C)C2=O	10799
+CC1(C)CCC(CC1)Cc2cc(c(-c3ccccc3)c(O)n2)OCOP(=O)(O)OCc4ccccc4	4406
+c1cc(ccc1)COc2cc(c(Br)cc2C(O)=O)OCc3ccccc3	426
+c1cc(ccc1)COc2c(cccc2-c3ccccc3)C(c4cc(ccc4)-c5c(cccc5)OC)C	4273
+c1cc(ccc1)COc2c(C(c3cc(-c4c(OC)cccc4)ccc3)=C)cccc2-c5ccccc5	2855
+C1CCCN1c2nc(c(O)c(C)c2C)C	321
+c1ccccc1COc2c(C)c(C)c(nc2C)NCc3ccccc3	340
+C(CCCCCCCCCCNc1c(c(c(c(C)n1)O)C)C)CCCCC	321
+O(CC)C(c1cccc(C=2CCCCC=2c3cc(Cl)ccc3O)n1)=O	16
+O(C)c1c(c(c(OC)c(OC)c1OC)C)Cc2c(c(C(OC)=O)ccc2)O	16
+CC(C)c1[nH]nc(OC2C(C(C(C(O2)CO)O)OC(C)=O)O)c1Cc3c(OCc4ccccc4)cccc3	59
+c1cc(ccc1)COc2c(Cc3c([nH]nc3OC4C(OC(=O)C)C(OC(=O)C)C(O)C(CO)O4)C(C)C)cccc2	59
+c1cc(ccc1)COc2cc(C=O)ccc2Cc3ccc(cc3)CC	39
+c1cc(ccc1)COc2c(Cc3ccc(cc3)CC)ccc(CO)c2	59
+c1cc(ccc1)COc2c(cc(OC(c3ccccc3)=O)cc2C)Cl	1039
+c1ccccc1COc2c(nccc2)NC(N)=S	401
+c12nc(Cc3cc(c(cc3)O)OC)n4nc(nc4c1ccc(NCCCO)c2)N	16
+c1c(c(O)c(cc1)OC)CC(OC)=O	16
+C1CN(CCC1)CCOc2ccc(cc2)Oc3c4ccc(cc4ccc3O)OC	16
+c1c(Cl)c(ccc1Cl)Oc2cc(C#N)c(cc2O)Cl	16
+c1ccccc1COc2ccc3c(c2N)CCC4C5C(CCC34)(C(CC5)=O)C	0
+c1ccccc1COc2cc3CCC4C(c3cc2N)CCC5(C)C4CCC5=O	0
+c1ccccc1COc2c(CO)c(C)cc(C)n2	269
+c1cc(ccc1)COc2ccc(c(c2F)F)N	0
+c1cc(ccc1)COc2ccc(CO)c(F)c2F	49
+c1cc(ccc1)COc2c(cc(C(O)C)c(C)n2)C#N	652
+c1c(O)c(cc(c1-c2c3c(sc(C#N)c3)nc(N)n2)Cl)Cl	16
+c1cc(ccc1)COc2c(cc(Cl)c(-c3nc(N)nc4sc(C#N)cc34)c2)Cl	4965
+c1c(O)c(cc(c1-c2c3c(sc(C(NCC)=O)c3)nc(N)n2)Cl)Cl	16
+c1cc(ccc1)C(Oc2cc(c(O)c(c2)C)Cl)=O	16
+c1cc(ccc1)COc2cc(F)c(F)cc2N	0
+c1c2c(c(cnc2cc3c1cc(c(c3)O)OC)C#N)O	16
+c1ccccc1COc2c(OCc3ccccc3)ccc(C=4Oc5ccccc5C(=O)C=4OCc6ccccc6)c2	3603
+C1CNCCC1c2ccc(cc2OCc3ccccc3)OCc4ccccc4	215
+c1cc(ccc1)COc2c(ccc(c2)CC)Oc3ccc(O)cc3F	173
+c1cc(ccc1)COc2c3CCNCc3ccc2OC	162
+c1cc(ccc1Cc2c(OCc3ccccc3)cccc2)Br	452
+c1cc(ccc1)COc2c(Cc3c(n[nH]c3C(C)C)OC4C(C(OC(=O)C)C(C(O4)CO)OC(=O)C)OC(C)=O)cccc2	59
+c1cc(ccc1)COc2c(C(c3cc(ccc3)-c4c(cccc4)OC)(C)O)cccc2-c5ccccc5	2157
+c1ccccc1-c2c(O)c(C(C)c3cccc(-c4c(OC)cccc4)c3)ccc2	16
+O(C)c1c(c(c(OC)c(OC)c1OC)C)Cc2c(c(ccc2)C(=O)O)O	16
+c1cc(ccc1)COc2c(C(=O)O)cccc2CC=3C(C(OC)=C(OC)C(C=3C)=O)=O	1450
+c1ccccc1COc2c(CO)cccc2C	98
+c1cc(ccc1)COc2nn(C)cc2CO	536
+c1ccccc1COc2cccnc2Nc3nc(cs3)CCN	45
+c1cc(ccc1)COc2c3CCC(=Cc3ccc2)CO	10800
+c1cc(ccc1)COc2c3CCC(=Cc3ccc2)C(=O)OC	10801
+c1cc2CNCCc2c(O)c1OC	16
+c12ccc(cc1c(O)c(c(CC(OC)=O)c2)C)F	16
+S(C)c1cc(ccc1Cl)Nc2c3c(n(C4C(C#N)CCOC4)n2)ccnc3O	700
+Clc1cccc(c1)-c2onc(C(C)Oc3n(c(-c4cc(ncc4)O)nn3)C)c2	700
+c1cc(ccc1)COc2c(OCc3ccccc3)ccc(-c4ccc(cc4)C(=O)O)c2	11
+c1cc(ccc1)COc2cc(C(=O)O)cc(OC)c2Br	1
+C1(CCOC1)Oc2cc(cc(O)c2)C(=O)OC	16
+c1cc(ccc1)COc2cc(cc(c2)C(O)=O)OC3CCOC3	1
+c1cc(ccc1)COc2cc(COC3CCCCO3)nc(C(=O)O)c2	6
+Cc1nn2C(=O)CC(C)=Cc2c1C(=O)OCC	10802
+Clc1cc(cc(c1)CC(OC)=O)O	16
+c1cc(ccc1)COc2cccc(c2)CCCN	15
+c1c(cccc1CCCn2nncc2)O	16
+C1CC(CCO1)(c2cc(F)cc(O)c2)C(OCC)=O	16
+C1COCCC1(c2cc(OCc3ccccc3)cc(F)c2)CO	44
+c1cc(ccc1)COc2cc(cc(F)c2)C(CO)(CC)O	95
+c1cc(ccc1)COc2cc(cc(C(=O)Nc3nn(C)cc3)c2)OC(C)COC	650
+c1cc(ccc1)COc2cc(cc(c2)OC(C)COC)C(=O)Nc3nn(cc3)CC	650
+c1cc(ccc1)COc2cc(cc(c2)OC(C)COC)C(=O)Nc3cnc(cn3)C	1351
+C(OC)C(Oc1cc(cc(O)c1)C(=O)OC)C	16
+c1cc(ccc1)COc2cc(OC(C)COC)cc(C(O)=O)c2	1
+c12oc(cc1c(cc(OC)c2)O)-c3cn4nc(sc4n3)OC	16
+C1(CCOC1)Oc2cc(C(Nc3ncc(C)nc3)=O)cc(O)c2	16
+c1cc(ccc1)COc2cc(cc(C(O)=O)c2)OCCCCCCCCCCCCCCCCCC	1
+c1cc(ccc1-c2oc(C)nn2)Oc3cc(cc(c3)O)C(=O)OC	16
+c1cc(ccc1)COc2cc(N)cc(Br)c2	0
+c1(Cl)c(Cl)c(OC)cc(O)c1	16
+C(=O)(OCC)c1sc2c(c(-c3cc(O)c(cc3Cl)Cl)nc(N)n2)c1	16
+c1cc(ccc1Oc2c(C(C)=O)c(OCc3ccccc3)cc(OCc4ccccc4)c2)[N+]([O-])=O	46
+C(OC)C(Oc1cc(C(Nc2ccn(C)n2)=O)cc(O)c1)C	16
+c1cc(ccc1)COc2cc(cc(OCc3ccccc3)c2)C4=CC(=O)c5c(cc(O)cc5)O4	3166
+c1cc(ccc1)COc2c(c(Oc3ccc(cc3)[N+]([O-])=O)cc(c2)OCc4ccccc4)-c5cc(C(=O)O)no5	6
+c1ccccc1COc2c3c([nH]c(c3)C(OCC)=O)cc(c2)C	3056
+c1cc(ccc1)COc2cc(OC3CCOC3)cc(c2)C(Nc4cnc(cn4)C)=O	1351
+c1ccccc1-c2cc(cc(c2)OCc3ccccc3)CC(O)=O	3
+C(OC)C(Oc1cc(C(Nc2ncc(C)nc2)=O)cc(O)c1)C	16
+c1n(nc(c1)NC(=O)c2cc(OC(COC)C)cc(c2)O)CC	16
+c1cc(ccc1)COc2cc(-c3ncc(C)o3)cc(OC)c2Br	2996
+c1cc(ccc1)COc2cc(C(=O)O)cc3cc(ccc23)C#N	6
+c1cc(ccc1)-c2c(ncc(N(CCc3cccc(OCc4ccccc4)c3)C)n2)-c5ccccc5	317
+c1cc(ccc1Cc2ccc(cc2O)CC(N)=O)CC	16
+C1CC(CCN1C=O)N2c3c(C(=O)N(Cc4ccc(OC)c(c4)OC)C2=O)cc(O)cc3	16
+CN(C)c1c(O)cc2c(C3CCC4(C(CCC4=O)C3CC2)C)c1	16
+C(C)OC(c1n(c2c(c(Cl)cc(c2)O)c1)C)=O	16
+c1cc(ccc1)COc2cc(c3c(c2)nc(O)cc3)C4CO4	5020
+c1cc(ccc1Oc2c3c(ncc2)cc(O)cc3)[N+]([O-])=O	16
+c1ccccc1COc2c(F)ccc3c2ccn3-c4ccc(c(F)c4)OCc5ccccc5	3005
+C1CC1(c2ccc(c(O)c2)OCc3ccccc3)C#N	16
+c1cc(ccc1)COc2ccc(C=CC(O)=O)cc2OC	108
+c1cc(ccc1C)CNC(C=Cc2cc(OC)c(cc2)OCc3ccccc3)=O	771
+c1ccccc1CNC(=O)c2c(C)nc(N3C=C(C=CC3=O)OCc4ccccc4)s2	10803
+c1cc(ccc1)COc2nc(N)c(cc2)N	13
+c1(nc(ccc1F)C(OC)=O)-c2c(ccc(O)c2F)F	16
+c1(ccc(c(F)c1F)O)N	16
+c1cc(ccc1)COc2nc(c3c(c4ccc(OC)cc4[nH]3)c2)C	10804
+c1cc(ccc1)COc2ccc(cc2)C3N(C(=O)C3CCC(c4ccc(cc4)F)O)c5ccc(cc5)F	74
+c1cc(ccc1N2C(c3ccc(cc3)O)C(CCC(c4ccc(cc4)F)O)C2=O)F	16
+c1cc(ccc1)COc2ccc(cc2)CC(CCC(O)=O)NC(CCCCCCc3ccccc3)=O	4
+c1cc(ccc1O)CC(C)(CCCc2ccccc2)C(=O)OCC	16
+c1cc(ccc1)COc2cc(O)c(OCc3ccccc3)cc2	173
+c1cc(ccc1)COc2ccc3c(ccc(c3)Cn4cc(c(-c5ccccc5)c4)C=O)c2	200
+c1cc(ccc1)COc2c(c(-c3scc(C(O)=O)n3)ccc2)OCc4ccccc4	6
+Nc1nc2c(CCN(CC=Cc3cccc(O)c3)CC2)s1	16
+O=C1N(c2c(cc(Oc3cccc(c3)O)c(N)c2)N1C)C	16
+c1(cccc(O)c1)Oc2cc3B(O)OCc3cc2	16
+C1C(CC(=O)N1c2cccc(C(=O)N)c2)c3cccc(O)c3	16
+c1cc(ccc1)COc2cc(ccc2)CCNC	695
+c1cc(ccc1)COc2c3CCC(C(OC)=O)C(O)c3ccc2	2261
+c1cc(ccc1N(C(=O)C2c3c(c(OCc4ccccc4)ccc3)CCC2)Cc5cnc(OC)cc5)C(C)C	429
+O=S(=O)(n1c2cccc(c2cc1)O)c3ccccc3F	16
+c1cc(ccc1)COc2c(cccc2)C(O)c3ccc(cc3)Br	257
+c1cc(ccc1SC)C(c2c(OCc3ccccc3)cccc2)O	257
+c1cc(ccc1)COc2ccccc2OCCO	168
+c1ccccc1COc2ccncc2O	2942
+c1cc(ccc1)COc2nc(NC(C)(C)c3ccccc3)nc(Cl)n2	387
+CC1(C)COC(CO1)CNc2c(ccc(O)n2)F	700
+Cc1nc(cc2c3ccc(OC)cc3[nH]c12)O	700
+c1ccccc1COc2c(CO)c(cc(C)n2)OC	351
+Clc1cccc(Cl)c1-n2c3c(nc2)ccc(n3)O	700
+c1nc(O)ccc1OCOC	700
+Clc1ccc(c(Cl)c1)-c2c(c(ncc2)O)[N+]([O-])=O	700
+c1cc(ccc1Nc2c3c(nccc3n(C(CC#N)C)n2)OCc4ccccc4)S(=O)(=O)N(C)C	781
+c1ccccc1COc2nn(C)cc2C=O	576
+c1cc(ccc1)Cn2nc(c(c2)CO)OCc3ccccc3	536
+O=S(=O)(c1ccc(cc1)C)C[N+]#CCc2c(nn(Cc3ccccc3)c2)OCc4ccccc4	5067
+c1cc(ccc1)COc2c(CC#N)cn(C)n2	881
+c1ccccc1CSC(C)(CN)CCO	157
+c1cc(ccc1)CSC2(CCOCC2)CN	157
+c1cc(ccc1)CSCc2cc(Cl)ccc2Oc3cc(CC(O)=O)ccc3OC	3
+c1cc(ccc1)CSc2c(cc3N(c4cc(c(Br)cc4OC)Cl)C(=O)C=Cc3c2)F	10805
+c1cc(ccc1Cc2ccccc2)-c3nn(C4CN(CCC4)C(OCc5ccccc5)=O)c(c3C#N)N	2300
+c1cc(ccc1)Cc2cc3cc(ccc3nc2Oc4ccc(F)cc4C(C)=O)N	0
+c1cc(ccc1)Cc2cn(CCNO)c3c2cccc3	2498
+c1cc(ccc1)Cc2c(-c3ccccc3)n(C)c4ccc(-c5ccc(cc5)O)cc24	5
+c1cc(ccc1)Cc2c3cc(-c4ccc(cc4)O)ccc3n(C)c2C	5
+c1cc(ccc1)Cc2c3cc(ccc3n(C)c2C)-c4ccc(cc4)OCC(=O)O	4
+c1cc(ccc1)Cc2cccc(c2)CN	162
+c1cc(ccc1)Cc2cc3c([nH]cc3CC[N+](=O)[O-])cc2	3068
+c1cc(ccc1)Cc2ccc3c(c(c[nH]3)CCN)c2	157
+c1cc(ccc1)Cc2cc3c(oc(-c4ccc(C(=O)C)cc4F)c3)cc2	155
+c1ccccc1Cc2cc3c(ccc(-n4cc(-c5ccccc5)nn4)c3)nc2Oc6c(C(=O)C)cc(cc6)F	2274
+c1cc(ccc1O)-c2ccc(C)n2CCCOc3ccc(cc3)Cc4ccccc4	16
+c1cc(ccc1)Cc2c3c(cccc3)n(CC=O)c2	59
+c1cc(ccc1)Cc2cnc(nc2)N3CCN(CC3)c4nc(ncn4)Nc5cnn(c5)CC(CO)O	265
+c1cc(ccc1)Cc2c(nc(C=C)c(-c3ccc(cc3C=C)OC)n2)N	4930
+c1cc(ccc1)Cc2onc(CCC=O)n2	598
+c1cc(ccc1)Cc2onc(CCCO)n2	237
+c1ccccc1Cc2nc(no2)CCCN3C(N(c4c(n(CC=C)c(Cl)n4)C3=O)CCCC)=O	10806
+c1cc(ccc1)Cn2cc(C)c(-c3ccc(cc3)Cl)c2C(O)=O	6
+c1cc(ccc1)CCC(c2ccccc2)c3n(Cc4ccccc4)cnc3	10807
+c1cc(ccc1)Cn2nc(C#N)cc2C	331
+c1cc(ccc1)Cn2nc(cc2CO)OCCC	398
+c1cc(ccc1)Cn2c(CCCO)cc(OCCC)n2	44
+c1cc(ccc1)Cn2c3C(N(C(=O)N(c3nc2CCl)C)CCCCC(O)C)=O	59
+c1cc(ccc1)Cn2c3cc(ccc3c(c2)C(C(=O)O)=O)-c4cccc(Cl)c4	2249
+c1cc(ccc1)Cn2c3c(c(OCC(OCC)=O)ccn3)cc2C	10808
+c1cc(ccc1)Cn2ccc3c(cccc23)CC4SC(NC4=O)=O	534
+c1ccccc1Cn2c3c(c4c2cccc4O)cccc3F	2302
+c1ccccc1Cn2c3cccc(C(=O)OC)c3c4c(cccc24)O	2302
+c1cc(ccc1)Cn2c(cc3c(O)ccnc23)C	5
+c1(cc(cc(C)c1Oc2c3c(cc[nH]3)nc(Nc4ccc(cc4)C#N)n2)C(C)=O)C	10809
+c1ccccc1Cn2c3C(=O)N(CCCCC(O)C)C(=O)N(c3nc2CN)C	18
+c1ccccc1Cn2c3ccc(cc3c4c2cccc4O)C	2302
+c1cc(ccc1)Cn2c3c(c(c4CCCCc4c3)O)c5c(C(OC)=O)cccc25	5
+c1cc(ccc1)Cn2cc(c(n2)OCc3ccc(c(OCc4nc(oc4C)-c5ccco5)c3)OC)CO	536
+n1n[nH]cc1CCCC(=O)O	3898
+c1cc(ccc1)Cn2cc(C=O)c(n2)OCc3ccc(c(OCc4nc(oc4C)-c5ccco5)c3)OC	576
+c1cc(ccc1)Cn2c3c(nc(nc3cc2)Nc4ccc(cc4)C#N)Oc5c(C)cc(cc5C)C(C)=O	744
+C1(N(C(=O)c2nc[nH]c2N1CCCC)CC)=O	2152
+c1cc(ccc1)Cn2c3ncccc3c(C(O)=O)n2	6
+c1cc(ccc1)Cn2cc(c([N+]([O-])=O)n2)CO	536
+c1cc(ccc1)COc2nn(Cc3ccccc3)cc2C=O	576
+c1ccccc1Cn2nc(cc2C=O)OCCC	178
+c1cc(ccc1)Cn2ncc(C(=O)Nc3cn(S(=O)(=O)c4ccc(cc4)C)c5ncc(cc35)Br)c2	276
+c1cc(ccc1)-c2nc3n(ccc(c3)NC(c4c(cnn4Cc5ccccc5)C(=O)OCC)=O)n2	187
+c1cc(ccc1[N+]([O-])=O)C(=O)c2ccc(cc2)F	222
+c1cc(ccc1CC(=O)c2ccc(cc2)F)SC	94
+c1cc(ccc1CO)Oc2ccccc2	754
+c1cc(ccc1)NC(=O)Nc2c(cc(c(C=3C(=O)N(c4c(cnc(NC(CC#N)=O)c4)C=3)CC)c2)F)F	446
+c1cc(ccc1)-c2ncc(c(-c3ccccc3Cl)n2)NC(Nc4ccccc4)=O	10810
+c1cc(ccc1)NC(=O)c2c(ncc(-c3ccc(cc3)S(=O)(=O)C)n2)N	466
+c1cc(ccc1C(Nc2ccccc2)=O)OCCCCCCCCCCCCCC	50
+c1cc(ccc1)Nc2ccc(cc2)C(=O)O	230
+c1cc(ccc1CNc2ccccc2)-c3ccccc3C(=O)OC	208
+c1cc(ccc1)Nc2nc3c(cccc3)c4c2nn(Cc5ccc(cc5)OC)c4	10811
+c1cc(ccc1)Nc2ncc(c(Cl)n2)CC(C(=O)OC)c3ccc(cc3)OC	55
+c1ccccc1COC(NCCCCc2ccc(cc2)OCC(Nc3ccccc3)=O)=O	33
+c1ccccc1Nc2cccc(-c3ccccc3)c2C#N	275
+c1ccccc1Nc2cc(NC(=O)c3ccccc3)c(cc2)C(=O)OC	230
+c1ccccc1CCC(C(NC(CC(C)C)C(Nc2ccccc2)=O)=O)CSC(C)=O	33
+c1cc(ccc1)NC2CN(Cc3ccccc3)CCC2	231
+c1cc(ccc1)NCC2CC(C)C(NCc3ccccc3)CC2	4704
+c1cc(ccc1)Nc2cnc(-c3ccc(c(c3)F)OCc4ccccc4)cc2	1674
+c1ccccc1Nc2c3ncn(C)c3nc(Cl)n2	1185
+c1nc(ncc1C(=O)OCC)Nc2ccccc2	1334
+c1ccccc1Nc2c3n(ccn3)cc(n2)Br	1638
+c1ccccc1Nc2nc(nc(n2)Cl)-c3ccccc3	360
+c1ccccc1NCc2c3c(cccc3)nc(O)c2	608
+c1cc(ccc1)Nc2nccc(-c3c(nn4ccccc34)-c5cc([N+]([O-])=O)ccc5)n2	2607
+c1ccccc1Nc2nc(CCl)nc3ccccc23	73
+c1ccccc1Nc2c3ccc(Cl)nc3ncn2	1665
+c1cc(ccc1)N(CCOc2ccc(cc2)O)C(C)C	72
+c1cc(ccc1C(=O)Nc2ccc(cc2)OC(=O)N(C)c3ccccc3)CCl	50
+c1cc(ccc1)N(C)S(=O)(=O)c2cc(c(cc2)Cl)N	0
+c12ccccc1cc3c(cc4ccccc4c3C=O)c2	2224
+c1ccccc1C(c2ccc(cc2)COCCN(CC)c3ccccc3)=O	149
+c1ccccc1NCCC2OC2	4955
+c1cc(ccc1)N(Cc2ccc3cc(CC4SC(=O)NC4=O)cnc3c2)C	10812
+c1cc(ccc1)N(Cc2cc3c(cc(cn3)C=O)cc2)C	200
+c1cc(ccc1)Nc2c3nccn3nc(c2)-c4cc5c(noc5cc4)N	10813
+c1cc(ccc1)N(c2ccccc2)C(=O)OCc3cccc(OCC(O)=O)c3Cl	4
+c1cc(ccc1)N(c2ccccc2)C(CNC(=O)Nc3cccc(O)c3)=O	5
+c1cc(ccc1)N(c2ccccc2)c3cc4c(cc3)[nH]c5ccccc45	10814
+c1cc(ccc1)N(c2ccccc2)c3ccc(cc3)C=Cc4ccc(cc4)C=Cc5ccc(cc5)N	106
+c1cc(ccc1)N2C(=O)C(=C3COCCN23)C(=O)Nc4cc(c(cc4)Oc5ccnc(N)c5)F	1779
+c1cc(ccc1)N2CCC(CN)CC2=O	18
+c1cc(ccc1)N2C(=O)NCc3nc(ccc23)F	5068
+c1cc(ccc1)CN2C(=O)N(c3ccccc3)c4ccc(nc4C2)F	1083
+c1cc(ccc1)N2C(C(C(O)=O)=C3N2CCOC3)=O	108
+c1cc(ccc1)N2C(C(Nc3ncnc(N)c3C(Nc4cc(ccc4O)C(=O)N)=O)C)=Nn5ccc(c5C2=O)C	5
+c1cc(ccc1)N2CCC(CC2=O)COCC	21
+c1cc(ccc1)N2C(=O)N(CC2)C3CCNCC3	25
+c1ccccc1N2C(c3cc(OC)ccc3)C(CO)CC2=O	95
+c1cc(ccc1)N2CCN3C2=NC=C(c4cc(F)c(OCc5ccccc5)cc4)C3=O	3818
+c1ccccc1N2C=C(C(c3ccc(cc23)Cl)=O)CN	1426
+c1cc(ccc1)N2CC3(CCC(CC3)C(=O)O)CC2=O	3
+c1cc(ccc1)N2C(=O)CC(CC2)CO	665
+c1cc(ccc1)N2CCN(CC2)C(NCCCC=O)=O	598
+c1ccccc1N2CCN3C(=O)C(=CN=C23)c4cc(c(O)cc4)F	16
+c1cc(ccc1)N2N3CCCC3=C(C2=O)C(=O)Nc4ccc(cn4)Oc5ccnc(N)c5	1779
+c1cc(ccc1NC(=O)Nc2ccccc2)-c3c(c(cc4ccc(Cl)cc34)CC(=O)OC)C	124
+c1cc(ccc1CCNc2c3ccc(OCCCCl)cc3ncn2)NC(Nc4ccccc4)=O	124
+c1ccccc1NC(=O)Nc2ccc(cc2)Oc3cc(ncn3)Cl	124
+c1ccccc1NC(=O)Nc2ccc(cc2)Oc3cc(N)ncn3	124
+c1ccccc1NC(Nc2ccc(cc2)CO)=O	10815
+c1cnccc1CCc2c[nH]c3c2cc(NC(=O)Nc4ccccc4)cc3	124
+c1ccccc1NC(=O)Nc2cc(-c3c(c(N)sn3)C(=O)N)ccc2	124
+c1ccccc1NC(=S)Nc2c([nH]c3c2cccc3)C(OCC)=O	4721
+c1ccccc1CN2C3(CCN(CC3)C(=S)Nc4ccccc4)NC(Cc5ccccc5)C2=O	1366
+c1cc(ccc1)NC(N2Cc3cc(OCC4CCN(CC4)c5ccncc5)ccc3CC2)=S	1366
+c1cc(ccc1F)-c2nc3sc(C(N(c4ccccc4)C)=O)c(C)n3c2	3227
+n1c(cc(c2ccccc12)CBr)O	10816
+c1cc(ccc1)N2CCC(N3CCc4c3ccc(F)c4Cl)C2=O	10817
+c1cc(ccc1F)-c2cnn3c2CN(C(=O)Nc4ccccc4)CC3	10818
+c1cc(ccc1)NC(NC(CCCCNC2CC2c3ccc(cc3)F)C(=O)N4CCCCC4)=O	285
+c1cc(ccc1-c2nc(C(=O)Nc3ccccc3)c(nc2)N)C(O)=O	356
+c1cc(ccc1)NC(n2ccc3cc(ccc23)N)=O	0
+c1cc(ccc1F)-n2c(N)c(C(c3cccc([N+]([O-])=O)c3)=O)cn2	10819
+c1ccccc1Nc2c3ncn(C)c3nc(Cl)n2	1545
+c1ccccc1NCC2CCC(C(C2)C)N	273
+c1cc(ccc1)N(C(C2=C3N(C(C(c4ccc(cc4)OCc5ccccc5)=C2)=O)C=Cc6ccsc36)=O)CCOC	5069
+c1cc(ccc1)N(CCOC)C(=O)C=2C=C(C(N3C=Cc4n(cnc4C=23)C)=O)c5ccc(cc5)OCc6ccccc6	5069
+c1cc(ccc1)N2N=C(CC2=O)c3ccc(cc3)OC	10820
+c1cc(ccc1)Nc2cc(NC(=O)NCC)ncc2C(O)=O	6
+c1cc(ccc1)Nc2c(c(N)c(cc2C(OC)=O)N)F	0
+c1cc(ccc1)Nc2c(Cl)c(c(N)cc2C(OC)=O)N	0
+c1cc(ccc1)Nc2cc(nc(N)n2)-c3cc4c(c(N)n[nH]4)cc3	10821
+c1(C(=O)O)ccc2c(Nc3ccccc3C2=O)c1	358
+c1ccccc1Nc2c(C(Nc3ccccc3Cl)=O)cnc(c2)NC(NCC)=O	246
+c1cc(ccc1)Nc2ccc(cc2)C(NCC(O)=O)=O	3
+c1cc(ccc1)Oc2cccc(Nc3ccccc3)c2C#N	46
+c1ccccc1Nc2ccccc2S	10822
+c1ccccc1Nc2cnc(-c3cc(F)c(cc3)O)cc2	16
+c1ccccc1Nc2c(Cl)cnc(Nc3ccc(cc3)C(=O)O)n2	55
+c1cc(ccc1OCC(CNC(C)C)O)Nc2nc(c(Cl)cn2)Nc3ccccc3	55
+c1ccccc1Nc2c3c(c4c(cccc4)n2)c[nH]n3	10823
+c1cc(ccc1)Nc2nc(c(cn2)Cl)C(=O)O	1
+c1cc(ccc1)Nc2nc3c(cn2)CC(C(N3CC4CC4)=O)c5ccc(cc5)OC	10824
+c1cc(ccc1)Nc2nc(-c3c(nn4ccccc34)-c5cc(N)ccc5)ccn2	0
+c1cc(ccc1)Nc2nc(ccn2)O	104
+c1cc(ccc1)Oc2ccc(cc2)-c3nc(CCOCc4ccccc4)c(C)o3	304
+C1CC2(CCN1CCC(c3ccccc3)Oc4ccccc4)CCN(Cc5ccc(cc5)Br)C2=O	20
+c1ccccc1Oc2ccc(cc2)CCC(S(=O)(=O)C)(C(=O)OCC)C	472
+c1ccccc1OCC(n2c3cc(F)c(cc3nc2-c4ccc(cc4)Cl)F)C5CCCCC5	20
+c1ccccc1Oc2ccc(cc2C(=O)OC)C(c3ccc(cn3)Br)=O	46
+c1ccccc1Oc2nc(OCc3c(cccc3N4C(N(N=N4)C)=O)C)ccc2	1237
+c1cccc2c1c(c3ccccc3c2Oc4ccccc4)-c5c6c(cccc6)c(C)cc5	304
+c1ccccc1Oc2nc(c(c(C)n2)C(NCCCc3ccccc3)=O)-c4cc(Cl)cc(Cl)c4	2914
+c1cc(ccc1)CN2CCC(CC2)CCNc3c(C)c(nc(c3[N+]([O-])=O)Oc4ccccc4)C	136
+c1ccccc1CN2CCn3nc(cc3C2)COc4ccccc4	20
+c1cc(ccc1)OCc2cnc(OC)cc2	20
+c1ccccc1OCc2nc3n(c2)nc(cn3)-c4c(F)cc(F)cc4	2303
+c1cc(ccc1C(=O)c2ccc(cc2)OC)Br	222
+c1cc(ccc1C(c2ccc(cc2)[N+]([O-])=O)=O)OC	222
+c1cc(ccc1C(Cc2ccc(cc2)Cl)=O)OC	214
+c1cc(ccc1NC(Nc2c(cc(Cl)c3ccc(OC(=O)C)cc23)Cl)=O)CCC	446
+c1cc(ccc1F)CC2CN(CCC2)C3CCC4CN(CC34)C(=O)Nc5cc(-c6n(nnn6)C)cc(CC)c5	437
+c1cc(ccc1F)CCN2CCC(C)C(CNC(Nc3cc(CC)cc(-c4n(nnn4)C)c3)=O)C2	238
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	238
+c1cc(ccc1-c2nnnn2C)NC(=O)NCCCN3CC(CCC3)Cc4ccc(cc4)F	238
+c1cc(ccc1F)-n2ncc3cc(C(C)(C)C(C)(C)CNC(Nc4nccs4)=O)ccc23	238
+c1cc(ccc1)OC(N(CCN2CCCc3c2ccc(N)c3)C)=O	0
+c1cc(ccc1)OC(N2C3C4CCOCC4(c5cc(ccc5C3)O)CC2)=O	173
+C12C3NCCC1(COCC2)c4c(ccc(OCC)c4)C3	10825
+c1ccccc1C2(CCC2)NC(=NC#N)Nc3cc(c(Cl)nc3)N	10826
+c1cc(ccc1NC(=O)Nc2cc(C)no2)Oc3c4cc(c(OCCOC)cc4ncc3)C#N	446
+c1cc(ccc1Cl)CC2CN(C2)CCCNC(=O)Nc3nnc(CC)s3	238
+c1cc(ccc1Cl)SC2CN(C2)CCC(CO)NC(=O)Nc3sc(nn3)CC	238
+c1cc(ccc1)OC(c2ccc(nn2)C(=O)O)C	1
+c1cc(ccc1NC(c2oc3c(cccc3)c2C)COc4ccccc4)C(OC)=O	5070
+c1cc(ccc1)OCC(Nc2ccc(cc2)C(NCCC(O)=O)=O)c3oc4c(cccc4)c3C	3
+c1ccccc1OCc2[nH]c3ccccc3n2	442
+c1cc(ccc1OC)C(=O)c2ccc(cc2)OCCCl	222
+c1ccccc1OCCNc2c3c(cccc3)ncc2[N+](=O)[O-]	105
+c1cc(ccc1)OCCN(c2c(nc(s2)-c3ccc4OCCNc4c3)C(OCC)=O)C	621
+c1ccccc1OCCN(c2sc(nc2C(OCC)=O)-c3ccc4OCCN(C(=O)Nc5nc6c(cccc6)s5)c4c3)C	2143
+c1cc(ccc1F)C(N2CCn3nc(COc4ccccc4)cc3C2)=O	115
+c1ccccc1OCc2oc(c(CCO)n2)C(OCC)=O	118
+c1cc(ccc1)Oc2cccc(c2CN)N	107
+c1cc(ccc1)Oc2ccc(cc2C(=O)O)C(=O)c3ncc(cc3)N(C)c4ccc(cc4)Cl	1
+c1cc(ccc1)Oc2cccc(c2NC(=O)C)CC(O)=O	3
+c1ccccc1Oc2c(c(NCCOC(=O)C)c(C)c(C)n2)N	13
+c1ccccc1Oc2nc(C)c(C)c(NCCOCCCc3cnccc3)c2N	13
+c1ccccc1Oc2nc(C)c(C)c(NCCOCCCc3sccn3)c2N	13
+c1ccccc1Oc2nc(C)c(c(c2N)NCCCCCCl)C	13
+c1cc(ccc1)Oc2c(cc(F)cc2)N(C(=O)C)Cc3c(ccc(OC)c3)OCCO	168
+c1cc(ccc1)Oc2c(cc(c(C(C)=O)c2)O)NS(=O)(=O)C	5
+c1ccccc1Oc2nc(c(C)c3c2nc(C)n3CCCCCSc4ccccc4)C	1107
+c1cc(ccc1)Oc2c3c(ccc2)c(OC)c(nc3C#N)C(NCC(O)=O)=O	4
+c1cc(ccc1)Oc2c3c(c(OC)c(nc3C#N)C(O)=O)ccc2	1
+c1ccccc1Oc2cccc3c2ccc(n3)C	2207
+c1c(OC)ccc2c1nccc2O	10827
+c1cc(ccc1)Oc2c3nc(n(CCO)c3c(C)c(n2)C)C	59
+c1ccccc1Oc2cnc(cc2)CO	813
+c1cc(ccc1)Oc2cc(Br)cnc2Nc3nc(cs3)CCC(=O)O	4
+c1cc(ccc1)Oc2cc(Br)cnc2Nc3scc(n3)CCc4oc(C)nn4	1037
+c1cc(ccc1)Oc2c(cc(c(c2)C)N)C3=CN(C)C(=O)C=C3	0
+c1ccccc1Oc2c3CCCC(=O)c3nc(C)c2	955
+c1ccccc1Oc2c(cnc(N3CCOCC3)c2)C(O)=O	6
+c1cc(ccc1NCCNc2nc(N)c(C(=O)NCc3sc(cc3)Oc4ccccc4)cc2)[N+]([O-])=O	60
+c1cc(ccc1-c2c3c(n(n2)C4CC5(C4)CCCNC5)ncnc3N)Oc6ccccc6	62
+c1cc(ccc1-c2nn(C3CCNCC3)c4c2c(N)ncn4)Oc5ccccc5	25
+C1CNCCC1c2cc3[nH]nc(N)c3c(n2)-c4ccc(cc4)Oc5ccccc5	62
+c1ccccc1Oc2cc(ccc2)C(C#N)OC(=O)C(C(C)C)c3ccc(cc3)N=[N+]=[N-]	204
+c1ccccc1Oc2cc(ccc2)Nc3cc(Cl)ncn3	73
+c1ccccc1Oc2cccc(Nc3ccccc3)c2CN	107
+c1ccccc1Oc2cccc(n2)CN	421
+c1cc(ccc1)Oc2cc(OCCOC)c(N)nc2	161
+c1cc(ccc1)Oc2sc(CN)cc2	10828
+c1cc(ccc1Cl)-c2nc(Cl)c(C#N)cc2	10829
+c1cc(ccc1OC)-c2cc(CN=[N+]=[N-])ccc2OC	925
+c1cc(ccc1Oc2c([N+](=O)[O-])cc(cc2)Cl)C(N=[N+]=[N-])C	841
+c1cc(ccc1COC(N2CCC(C(C2)F)CN)=O)C	10830
+[N-]=[N+]=NC1c2c(ccc(c2)F)CCC1	841
+[N-]=[N+]=NCc1ccc2c(ccc(n2)C)c1	925
+c1ccccc1P(c2ccccc2)(c3ccc4ccccc4c3-c5c6c(cccc6)ccc5N)=O	2622
+c1cc(ccc1C)C=2c3c(C(=O)N(N)N=2)cccc3	10831
+c1cc(ccc1)P(c2ccccc2)(c3cc(ccc3)O)=O	5
+c1ccccc1CN2CCC(CC2)N(CCCCOCCBr)C(C)C	10832
+c1cc(ccc1-c2c(nc(s2)NC(=O)C)-c3ccc(cc3)C=CC(=O)OCC)S(=O)(=O)C	4668
+c1cc(ccc1Cl)Cc2c3c(n(CCCC=CC(=O)OCC)c2Br)cccc3	1667
+c1cc(ccc1S(=O)(=O)NCC2Cc3cc(C=CC(=O)OCC)ccc3C2)Cl	530
+c1cc(C=CC(OCC)=O)ncc1Br	10833
+c1ccccc1C(c2ccccc2)(C=CC(OCC)=O)CC#N	1667
+c1cc(ccc1C(c2ccc(cc2)F)=C(C=CC=O)c3n(nnn3)C)F	5071
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(n3nnnc3)C=CC=O	5071
+c1cc(ccc1)P(c2ccccc2)c3ccc(cc3)P(O)(O)=O	228
+c1cc(ccc1)P(c2ccccc2)c3ccc(cc3)P(OCC)(O)=O	228
+c1cc(ccc1Sc2ccccc2)C=O	825
+c1cc(ccc1Sc2ccccc2)C(CCC(O)=O)=O	815
+c1ccccc1CN(Cc2ccccc2)c3c4ncn(c4c5ccccc5n3)CCCCSc6ccccc6	1107
+c1ccccc1COC=2C(C=C(CNS(=O)(=O)c3cccc(C)c3)N(C=2C(O)=O)C)=O	10834
+O=S(=O)(C1CN(C(CC(=O)C)=S)C(C1)C(OC)=O)c2ccccc2	4940
+c1ccccc1S(=O)(=O)CC(O)Cn2cncc2	100
+c1cc(ccc1)S(=O)(=O)CC=CC=CC(O)=O	127
+c1ccccc1S(=O)(=O)CCCC(=O)C	1965
+c1cc(ccc1)S(=O)(=O)CCCc2n(CCCC)nc(C(=O)O)c2	6
+c1cc(ccc1)S(=O)(=O)CCCc2cc(C#N)nn2CCCC	331
+c1ccccc1S(=O)(=O)Cc2cc(N3CCN(CC3)Cc4ccccc4)ccc2[N+]([O-])=O	1177
+c1ccccc1S(=O)(=O)Cc2nc(-c3ccc(cc3)NC(Oc4ccccc4)=O)nc(N5CCOCC5C)c2	90
+c1cc(ccc1)S(=O)(=O)N2c3ccc(cc3CC2)CC	165
+c1cc(ccc1)S(=O)(=O)N2CCc3cc(ccc23)C=O	39
+c1cc(ccc1)S(=O)(=O)N2c3ccc(COC)cc3CC2	49
+c1cc(ccc1)S(=O)(=O)N2c3c(cc(C=CC(=O)OC)cc3)CC2	530
+c1cc(ccc1)S(=O)(=O)N2c3ccc(cc3CC2)C=CC(O)=O	127
+c1cc(ccc1)S(=O)(=O)N2CCc3cc(CO)ccc23	88
+c1cc(ccc1)S(=O)(=O)NCC=2OC(C=O)=C(OCc3ccccc3)C(=O)C=2	3124
+c1cc(ccc1)S(=O)(=O)Nc2ccsc2C(O)=O	1
+O=S(=O)(c1c(N)[nH]c2ccc(Cl)cc12)c3ccccc3	2574
+c1ccccc1COC(N(C)CC(NCc2c3c(ccc2)cc(cc3)S(=O)(=O)c4ccccc4)=O)=O	9
+c1cc(ccc1)S(=O)(=O)c2ccc3c(CN)cccc3c2	107
+c1cc(ccc1)S(=O)(=O)n2ccc(C=O)c2C	200
+c1cc(ccc1)S(=O)(=O)n2c3c(cc(F)cn3)cc2C(=O)CC(C)C	955
+CC(C)C=C(c1n(c2c(cc(cn2)F)c1)S(=O)(=O)c3ccccc3)OS(=O)(=O)c4ccc(cc4)C	10835
+O(C)c1c(ccc(-c2c[nH]c3c2cccc3)c1)OC	741
+c1cc(ccc1)S(=O)(=O)n2cc(C=O)c(c2Br)C(C)C	5072
+c1(cc(cc(Cl)n1)-c2c3c(ncc(OC)c3)[nH]c2)Cl	1017
+O=S(=O)(N)c1c(Cl)ccc(C(=O)c2cc[nH]c2)c1	4159
+c1cc(ccc1)S(=O)(=O)n2cc(CCN)cc2	157
+c1cc(ccc1)S(=O)(=O)n2c(C)c(cc2)CO	351
+c1cc(ccc1-c2c3c(ncc2)n(cc3)S(=O)(=O)c4ccccc4)S(=O)(=O)N5CCCC5	2070
+c12cnc3[nH]ccc3c1n(nn2)C4CCC(NC(OC)=O)C4	1017
+c1cc(ccc1)S(=O)c2c3ccccc3n(Cc4ccccc4)c2	190
+c1ccccc1S(=O)(=NC(c2cc(C#Cc3cc(NC(c4c(cco4)C)=O)ccc3)cnc2)=O)CC(=O)OCC	3144
+c1cc(ccc1)S(CC2N(C(=O)C2)C(=O)NCc3ccccc3)=O	10836
+c1cc(ccc1Cl)CCC(=O)C2(CC2)Sc3ccccc3	1847
+c1ccccc1Sc2ccc(Br)cc2CO	98
+c1ccccc1Sc2ccc(cc2CO)F	611
+c1cc(ccc1)Sc2c(cc(cc2)Nc3c(cnc4ccc(N)cc34)C#N)Cl	0
+c1cc(ccc1-c2ccc(-c3sc(cc3)C=CC)c(c2)F)CC	10837
+CC(C)c1c(C(=O)OC)c(c(CC)n1Cc2ccccc2)C=CCC	10838
+c1cc(ccc1-c2cc(F)c(cc2)C=3[Se]C(C=CCCC)=CC=3)CC	4928
+c1cc(ccc1C=Cc2ccc(cc2)Cl)Br	3158
+c1cc(ccc1C(O)=O)C=Cc2ccc(cc2)OCCCCCCO	3158
+n1(c(C=Cc2nn3c(n2)nc(C)cc3C)nc(Br)n1)C	10839
+C1CC(CCC1Oc2c(ccc(Br)c2)Cl)O	701
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC#CCCO	168
+c1cc(ccc1Cl)C2C(CC(C)(C(=O)N2C(CC)CO)CC=C)c3cccc(c3)Cl	5073
+c1ccccc1[Si](c2ccccc2)(OCC3CCC(C)CN3)C(C)(C)C	2
+c1nc(ncc1)-c2c(nc(cc2)C)C(=O)N3C(CO)CCC(C)C3	701
+CC(C)(C)OC(N1CC2CC2CC1CO)=O	701
+C1C(CC1OC2OCCCC2)CCO	701
+C1OC(OCCCCC#CCCCCCCCCCCO)CCC1	701
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCCC=O	24
+c1cc(ccc1OCc2ccccn2)-c3nc(c(o3)C)CCO	5073
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(ccc(c3Cl)-n4c(CN)ccc4)Cl	421
+C1(CN(CC(C)O1)c2c(cc(C(=O)c3ccccc3)c(F)c2F)CO)C	701
+CC1CN(CC(C)O1)c2c(CO)cc3c(noc3c2F)C(=O)OCC	10840
+C1CC1C(CC(=O)OCC)c2cccc(CO)c2	701
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3nc(oc3)-c4ccc(cc4)F	4235
+CC(C)(C)Cc1c(-c2cc(OC)ccc2F)ccc(CO)n1	10841
+c1cc(ccc1F)-c2occ(CO)n2	701
+c1cc(ccc1)[Si](c2ccccc2)(OCCN(Cc3ccc(cc3)C(OC)=O)C)C(C)(C)C	328
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCc3cc(nc(n3)S(=O)(=O)C)Nc4ccc(cc4)F	328
+c1cc(ccc1)[Si](c2ccccc2)(OCCn3cc(cn3)I)C(C)(C)C	328
+c1cc(ccc1COC(=O)N2CCC(NC(c3nc(sc3)N4CC(C4)O)=O)C2)[N+]([O-])=O	5074
+CC(C)(CN1c2c(C(OC(CC(OCC)=O)C1=O)c3cccc4ccccc34)cc(cc2)Cl)CO	701
+c1cc(ccc1)[Si](c2ccccc2)(OCC(CO)C)C(C)(C)C	95
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC(COc3ccc(cc3)Br)C	20
+C1CCCCC1(CC)CCO	5074
+c1cc(ccc1CN2C=C(CCO)N(CCC)C2=O)C	701
+c1cc(ccc1)[Si](c2ccccc2)(OCCC=3C(=O)N(C=CC=3)c4c(cc(N)cc4)OC)C(C)(C)C	0
+O=S1(=O)N(CCCO)Cc2ccccc2N1	701
+c1ccccc1[Si](c2ccccc2)(OCCN(C)Cc3ccc(cc3)CO)C(C)(C)C	98
+c1cc(ccc1)[Si](c2ccccc2)(OCCOC3CCC(CC3)CO)C(C)(C)C	95
+c1cc(ccc1)[Si](c2ccccc2)(OCCOC3CCC(CC3)C=O)C(C)(C)C	24
+c1cc(ccc1)[Si](c2ccccc2)(OCc3c(c(F)c(F)c(C(c4ccccc4)O)c3)N5CC(C)OC(C)C5)C(C)(C)C	1641
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(c(F)c(c(C(=O)c4ccccc4)c3)F)N5CC(C)OC(C5)C	335
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3cc4c(c(F)c3N5CC(C)OC(C)C5)onc4C(=O)OCC	10842
+c1cc(ccc1)[Si](c2ccccc2)(Oc3cc(OC)c(c(c3)OC)CO)C(C)(C)C	41
+c1cc(ccc1-c2nc(c(o2)C)CCl)C(OC)=O	10843
+c1cc(ccc1-c2[nH]c3ncc(c(c3n2)I)Cl)C(O)=O	1
+c1cc(ccc1)N2C=C(C(=O)c3ccc(cc23)Cl)CNC(c4ccc(cc4)-c5[nH]cnn5)=O	2460
+c1cc(ccc1-c2c(-c3ccccc3)nc4c(CCCN4CCCCCCC(=O)O)n2)C	3
+c1cc(ccc1C)-c2c(c(C)nc(CC(C)C)c2CN)C(=O)OC	388
+c1cc(ccc1OCCN)-c2c(C#N)c3c(n2CC)cc(cc3)OC	18
+c1cc(ccc1F)-c2c(C=O)n(Cc3ccc(cc3)-c4c(C#N)cccc4)c(CCCC)n2	371
+c1cc(ccc1-c2ccccc2C#N)CC=3C(N(Cc4ccccc4)C(=CC=3O)C)=O	10844
+c1cc(ccc1-c2c(C#N)cccc2)CN3C(=O)C=C(N=C3CCC)CC	10845
+c1cc(ccc1-c2c(C#N)cccc2)CN3c4sc(CC)cc4C(=O)NC3=O	4805
+c1cc(ccc1OC)C(=O)CN2C(=O)c3c(N(Cc4ccc(cc4)-c5c(C#N)cccc5)C2=O)sc(c3)CC	1833
+c1cc(ccc1-c2onc(c2C(O)C(F)(F)C=Cc3ccc(cc3)F)C)Br	1046
+c1cc(ccc1-c2c(C(NC)=O)c3c(cc(N(C)S(=O)(=O)C)c(C4CC(C(=O)O)N(C)C4)c3)o2)F	4
+c1cc(ccc1-c2c(C(NC)=O)c3c(cc(N(C)S(=O)(=O)C)c(C4CC(c5oc6c(n5)c(ccc6)F)N(C4)C)c3)o2)F	1692
+c1cc(ccc1)CCNC(=O)c2c(noc2-c3ccc(cc3)Br)C	5006
+c1cc(ccc1-c2cc(O)ccc2C(O)=O)F	5
+c1cc(ccc1-c2c(c(C(=O)O)nn2-c3c(Cl)cc(cc3)Cl)C)OCCCF	6
+c1cc(ccc1C(O)=O)-c2c(C)ccc(NC(c3cocc3)=O)c2	1
+c1cc(ccc1-c2c(C)nc(c(C(N)=O)n2)C)-c3cc(C)c(CC(=O)O)cc3Cl	3
+C1CC(CCC1N2c3ncnn3C(=C(C2=O)Cc4ccc(cc4)-c5c(C6=NOC(=O)N6)cccc5)CCC)C#N	143
+c1cc(ccc1CC(=O)O)-c2c(C3CC3)nccn2	4
+c1cc(ccc1Cl)-c2[nH]c3c(sc(C(OC)=O)c3)c2C4CCCCC4	10846
+c1cc(ccc1-c2c(cnn2C)C=CC(Nc3ccc(cc3)CC(OCC)=O)=O)F	1313
+CN(C)c1c(C=CC(OC)=O)c(c2ccccc2n1)-c3ccc(cc3)F	4217
+c1cc(ccc1-c2sc(C(=O)c3occc3)cc2CC(=O)O)C#N	3
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OCC)-c4c(c(C)no4)CCOCc5ccncc5	149
+c1cc(ccc1-c2c(Cl)cc3c(CC(=O)N3)c2)Cc4c(cccc4)O	5
+c1cc(ccc1NC(C=2C(=O)C(c3ccc(cc3)F)=CN(CCF)C=2)=O)-c4c(ncc(Br)c4)N	10847
+c1cc(ccc1-c2ccccc2[N+]([O-])=O)-c3nc4ccccc4o3	10848
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(cn3)C(=O)O)F	1
+C1CN(CCO1)c2ccc3c4c([nH]c3c2)c(cc(Br)n4)C(=O)OC	5075
+c1cc(ccc1-c2c(ncc(c2CC)Br)N)O	5
+c1cc(ccc1-c2scc(CSc3c(C#N)c(-c4ccc(cc4)OC5CCOC5)c(C#N)c(N)n3)n2)Cl	2837
+c1cc(ccc1CC)-c2csc(c2C(=O)O)N3C(=O)c4c(cccc4)C3=O	6
+c1cc(ccc1-c2c(C(OCC)=O)c3cc(Br)c(N)cc3o2)F	0
+c1cc(ccc1F)-c2oc3c(c2C(=O)NC)cc(-c4ccc5n(c(cn5)-c6ccc(cc6)F)c4)c(N(C)S(=O)(=O)C)c3	3225
+c1cc(ccc1F)-c2c(c3c4CC(C)(C)Oc4ccc3o2)C(=O)O	1
+c1cc(ccc1-c2oc3c(cc(Br)c(c3)N4CCCC4=O)c2C(=O)O)F	6
+c1cc(ccc1-c2c(C(=O)O)c3c(o2)cc(c(Br)c3)NS(=O)(=O)C)F	6
+c1cc(ccc1C#N)-c2nc(c(O)cc2-c3ccc(cc3)F)O	104
+c1cc(ccc1-c2c(O)cccc2)-c3c(cc4c(c(c[nH]4)C(O)=O)c3)Br	1
+c1ccccc1-c2cc3c4n(cnn4)ccc3nc2-c5ccc(cc5)C=O	494
+c1ccccc1-c2cc3c4nnc(CO)n4ccc3nc2-c5ccc(cc5)C=O	494
+c1cc(ccc1CC(NC(=O)CCC(=O)O)CC(=O)O)-c2c(ccc(F)c2)OC	3
+c1cc(ccc1C(NS(=O)(=O)c2ccccc2-c3ccc(cc3)CN4C(=O)N(N=C4CCCC)c5c(Cl)cccc5)=O)F	2909
+c1cc(ccc1-c2c(cccn2)CC)C(O)=O	1
+c1cc(ccc1-c2c(cnn2C)C=CC(Nc3ccc(cc3)CC(O)=O)=O)F	3
+CC(C)n1c(c(c(-c2ccc(cc2)F)c1C=O)-c3ccc(cc3)F)C(O)=O	6
+c1cc(ccc1N)-c2c(n3ncc(C(OCC)=O)c3nc2)N	0
+c1cc(ccc1)COCc2nc(N)nc(c2-c3ccc(cc3)OCc4ccc(cc4)Cl)N	22
+c1cc(ccc1OC)-c2ccc(O)nc2-c3ccc(cc3)OC	1220
+c1cc(ccc1-c2sc(nc2-c3ccc(cc3)CCCO)NC(=O)C)S(=O)(=O)C	10849
+c1cc(ccc1OC)-c2c(nc(N)s2)C	1176
+c1cc(ccc1-c2nc3nccn3cc2-c4ccc(cc4)F)C=O	198
+c1cc(ccc1C)NS(=O)(=O)Nc2c(c(OCCOc3ncc(cn3)Br)ncn2)-c4ccc(cc4)C	482
+O=S1(=O)CCN(CC1)c2ccc(cc2)-c3nc(-c4cccc(Cl)c4F)oc3C5C(CCCC5)C(O)=O	4
+c1cc(ccc1-c2c(oc3ncnc(OC4CCCN(CCCC(=O)O)C4)c23)-c5ccccc5F)OC	4
+c1cc(ccc1-c2c(C(O)=O)sc(n2)C)F	1
+c1cc(ccc1S(=O)(=O)N)-c2c(C(O)=O)sc(c2)-c3ccc(cc3)Cl	6
+c1cc(ccc1-c2sc(nc2-c3ccc(cc3)CCCN4C(c5c(C4=O)cccc5)=O)NC(=O)C)S(=O)(=O)C	966
+c1cc(ccc1Cl)-c2c(C(O)C(OC)=O)c(C)nc3[nH]c(c(C)c23)C	10850
+c1cc(ccc1-c2nn(c3c(cccc23)C)CCCCC)O	5
+c1cc(ccc1-c2nn(c3c(cccc23)Cl)C(C)C)O	5
+c1cc(ccc1N)-c2c3c(cc(CC(=O)OC)c2C)ccc(c3)Cl	0
+c1ccccc1-c2n(c3cccc(-c4ccc(cc4)O)c3c2C)Cc5ccccc5	5
+c1cc(ccc1-c2c3c(ccn2)c(CC(OCC)=O)ccc3)N	0
+c1cc(ccc1-c2c3c(n(C)c(-c4ccccc4)c3C)ccc2)O	5
+C1CCC(C1)n2c3c(c(-c4ccc(cc4)O)n2)cccc3F	5
+c1cc(ccc1-c2c3ccc(-c4cc(N)ccc4)cc3n(-c5cc(NC)ncn5)c2)OC	0
+c1cc(ccc1F)-c2c3c(nc(c2C=CC=O)N(C)C)cccc3	5076
+c1cc(ccc1-c2cccn3ccnc23)N	0
+C1CN(CCC1c2c[nH]c3c(C(=O)N)cc(cc23)-c4ccc(cc4)C=O)S(=O)(=O)CC	39
+c1cc(ccc1-c2noc(C(=O)CC)c2)OC	3153
+c1cc(ccc1C)-c2cc(C(O)=O)cc(c2)C(N(C)CC(C)C)=O	6
+c1cc(ccc1C(C)C(Nc2ccc(cc2)-c3cc(C)ncc3)=O)N	0
+c1cc(ccc1-c2ccc(c(c2)C=C(C(O)=O)C)N3C(CCC3)C)OCCOCCCC	108
+c1cc(ccc1-c2cc(c(O)cc2)CC)C(=O)C	5
+c1cc(ccc1CC2SC(=O)NC2=O)-c3cc(CN(C(c4ccccc4)=O)C)ccc3	534
+c1cc(ccc1-c2cc(c(C3=CC=C([Se]3)CCCCC)cc2)F)CC	5046
+c1cc(ccc1-c2ccc(c(F)c2)O)C(=O)O	5
+c1cc(ccc1-c2cc(F)c(cc2OC)F)OCc3nc(cs3)C(=O)O	6
+c1cc(ccc1-c2cc(F)ccc2)C(CCC(O)=O)=O	4
+c1cc(ccc1-c2c(cc(O)c(OC)n2)-c3ccc(cc3)F)C#N	390
+c1cc(ccc1O)-c2onc(OCOC)c2	16
+c1cc(ccc1-c2c[nH]c(C(O)=O)c2)Cl	1
+c1cc(ccc1OC)-c2[nH]nc(c2)CO	194
+c1cc(ccc1-c2cnc(c(c2)C(=O)O)C)Cl	6
+c1cc(ccc1Cl)-c2cc(F)c(C3C(=O)CC(C3=O)CC#C)c(c2)Cl	10851
+c1cc(ccc1F)-c2c(O)c(N)cc(C(=O)OC)c2	0
+c1ccccc1CNC(c2cccc(c2)-c3ccc(cc3)C=C4SC(=O)NC4=O)=O	14
+c1cc(ccc1C=CC(=O)OC)-c2cc(ccc2)N(C(NCCCCCCC)=O)CC	530
+c1cc(ccc1-c2cc(ccc2C)C(=O)NC3CC3)-c4oc(nn4)CN	18
+c1cc(ccc1-c2cc(-c3n(c(C(O)=O)cc3C)C)ccc2OC)S(=O)(=O)N	1
+c1cc(ccc1-c2c(ccc(CO)c2)OC)OC	41
+c1cc(ccc1-c2cc(on2)-c3nn(nn3)CC(O)=O)Oc4c(ccc(F)c4)Br	3
+c1cc(ccc1O)-c2noc(C(=O)OCC)c2	5
+c1cc(ccc1N)-c2[nH]c3c(c2)c(N4CCCc5c4cccc5)ncn3	0
+c1cc(ccc1Cl)NC2c3c(ccc(-c4ccc(cc4)C(=O)OCC)c3)N(C(C)=O)C(C)C2	250
+c1cc(ccc1N)-c2cc3c(ncnc3N4CCc5ccccc45)[nH]2	0
+c1cc(ccc1-c2cc3c(cc(OCCOCCOCCF)cc3)cc2)N	0
+c1cc(ccc1-c2cc(c(cc2)-c3ccc(s3)CCC)F)CC	10852
+c1cc(ccc1O)-c2sc(cc2)CCCCC	5
+c1cc(ccc1C(CC(=O)O)(C)O)-c2ccc(F)cc2F	3
+c1c(F)cc2c(c3ccc(F)cc3[nH]2)c1	1223
+c1cc(ccc1-c2cc(c(cc2)OC)C(C)=O)C#N	155
+c12c3c(cc(OC)cc3)[nH]c1cc(OC)cc2	1223
+c1cc(ccc1Cl)-c2cc(B(OC)O)c(Br)cc2	493
+c1ccccc1Cc2c(-c3ccc(cc3)-c4ccc(cc4)CO)c5c(cccc5)o2	41
+c1cc(ccc1-c2ccc(cc2)-n3c(c(C)nn3)NC(OC(C)C)=O)C4(CC4)C(O)=O	4
+c1cc(ccc1-c2ccc(cc2)-n3cccn3)Br	901
+c1cc(ccc1N2CCC3CNCC23)-c4ccc(cc4)C#N	62
+c1cc(ccc1OCCCC(=O)O)-c2ccc(cc2)C#N	3
+c1cc(ccc1F)OC(C(OCC)=O)Cc2ccc(cc2)OCCON=C(c3ccc(cc3)-c4ccc(cc4)F)C	262
+c1cc(ccc1C2(CC2)C(O)=O)-c3ccc(cc3)-c4c(n(nc4)C)NC(CC(C)c5ccccc5)=O	4
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(O)=O)-c4onc(C)c4Nc5nc(-c6ccccc6C)ccc5	3
+c1cc(ccc1C=Cc2nc(-c3c(cc(cc3)Cl)Cl)cn2Cc4ccccc4)-c5ccc(cc5)OC	371
+c1cc(ccc1C#N)-c2ccc(cc2)C=COC	1417
+c1cc(ccc1CCN)-c2ccc(cc2)C3CCCC3NS(=O)(=O)C(C)C	51
+c1cc(ccc1N)-c2ccc(cc2)CCCCCCCC	0
+c1cc(ccc1-c2ccc(cc2)Cl)C(O)C	74
+c1cc(ccc1NC(c2c(c3c(cccc3OC)o2)C)=O)-c4ccc(cc4)S(=O)(=O)NC(C(C)C)C(=O)OC	768
+c1cc(ccc1C=O)C=CC(Nc2ccc(cc2)-c3ccc(cc3)Cl)=O	1054
+O=C(O)C(C(=O)O)CC(=O)c1ccc(cc1)-c2ccc(cc2)NC(CCCC)=O	3
+c1cc(ccc1C(O)=O)-c2ccc(cc2)OCCCCl	1
+C(O)C(CO)Cc1ccc(cc1)-c2ccc(cc2)OCc3ccccc3	5077
+O=S(=O)(C)C(C(=O)NO)(CCc1ccc(cc1)-c2ccc(cc2)[N+](=O)[O-])C	792
+c1cc(ccc1O)-c2ccc(cc2C)C#N	5
+c1cc(ccc1C=CCO)C#Cc2ncc(cc2)-c3ccc(cc3)Cl	129
+CC(C)C(C(=O)OC)N1C(=O)c2c(C1)ccc(-c3ccc(cc3)N)c2	0
+c1cc(ccc1-c2cc3C(=O)N(Cc3cc2)C(C(C)C)C(O)=O)NC(c4c(F)ccc(c4F)C)=O	4
+c1cc(ccc1-c2cc3c(cc2)n(c(-c4ccccc4)c3CCCCC)C)O	5
+c1cc(ccc1CC2SC(NC2=O)=O)-c3cc(ccc3)C(=O)NCCCCCCCC	534
+c1cc(ccc1-c2cccc(C)c2)C(O)=O	6
+c1cc(ccc1-c2cccc(C)c2)C(N3Cc4cccn4Cc5ccccc35)=O	610
+c1cc(ccc1-c2cccc(OCC)c2)C3N(c4c(cccc4)F)N=C(C(O)=O)C3	4
+c1cccc2c3c(cccc3)n(c12)-c4ccc(cc4)-c5cc(Oc6cc(Oc7ccccc7)ccc6)ccc5	304
+c1cc(ccc1-c2cccc3c2sc(c3)C(=O)O)N4CCOCC4	1
+c1cc(ccc1-c2ccccc2)-c3c(cc(N)c(N)c3)F	0
+c1ccccc1OC(C(=O)OCC)Cc2ccc(cc2)OCCNC(=O)c3ccc(cc3)-c4ccccc4	14
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(NC(=O)CCC(=O)O)nc5c4cc(CC)s5)=O	4
+c1cc(ccc1-c2ccccc2)C(=O)N3CCN(CC3)c4nc(nc5c4cc(CC)s5)N	10853
+c1cc(ccc1)COc2ccc(Br)cc2C(NC(C(O)=O)Cc3ccc(cc3)-c4ccccc4)=O	4
+c1cc(ccc1-c2ccccc2)COCc3ccc(nc3)NC(=O)CCC(O)=O	4
+c1cc(ccc1-c2ccccc2)Cn3cc4C(N(C)C(Nc4n3)=O)=O	10854
+c1cc(ccc1NCc2cc(C(=O)OC)oc2C)-c3ccccc3	10855
+c1cc(ccc1NC(=O)c2cc(CCCC)n(Cc3ccc(cc3)-c4ccccc4-c5[nH]nnn5)n2)Cl	187
+c1cc(ccc1-c2ccccc2C3CCCNC3)Cn4c(ccc4)CC	1446
+c1cc(ccc1C(=O)C)N2C(CC)=NC(CCC)=C(Cc3ccc(cc3)-c4ccccc4C#N)C2=O	1778
+c1cc(ccc1C(=O)N2C(C(O)=O)CC(=NOC)C2)-c3ccccc3C	4
+Cc1ccccc1-c2ccc(O)c(c2)CC=C	423
+c1cc(ccc1-c2ccccc2CN3CCN(CC3)c4ccc(cc4)C(O)=O)Cl	6
+c1cc(ccc1-c2ccccc2S(C)=O)CC(c3ncc(CC(C)(C)CC)[nH]3)(O)C	5050
+c1c2c(nc(-c3cc4c(c5c([nH]4)cccc5)cc3)o2)ccc1	1223
+c1c(ccc2c3c([nH]c12)cccc3)OC	1223
+c1cc(ccc1C2CNCCC2)-c3oc4c(C(N)=O)cccc4n3	1446
+c1cc(ccc1-c2cnccc2)O	16
+c1cc(ccc1C(C)(C)C(=O)O)-c2ccco2	4
+c1cc(ccc1C(C)(C)C=O)-c2ccco2	24
+c1cc(ccc1-c2c(scc2)CO)Cl	1364
+c1cc(ccc1N)-c2cn(C(C)C)c3c2c(ncn3)Cl	0
+O=S(=O)(c1ccc(cc1)-c2cn(c3c2c(ncc3)O)C(CC)COC)N	104
+c1cc(ccc1C)-c2cn(CC)c3cccc(N)c23	0
+c1cc(ccc1O)-c2cn(c3cc(ccc23)-c4cc(ccc4)[N+]([O-])=O)-c5ccncc5	5
+CN(C)Cc1c(-c2ccc(cc2)N)cn3c1C(N(c4c(F)c(ccc4)OC)C(N3Cc5c(F)cccc5F)=O)=O	0
+c1cc(ccc1-c2cn3c4c(sc3n2)cc(cc4)OCCN5CCOCC5)N	0
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+c1cc(ccc1S(=O)(=O)Nc2c(F)cc(c(F)c2)C(OC)=O)-c3cnc(nc3)C4CCOCC4	4174
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+c1cc(ccc1-c2cncc(c2)-c3cc(ccc3)C(O)=O)C(C)C	6
+c1cc(ccc1-c2cccnc2)-c3nc4cccc(C(=O)OC)c4o3	3069
+C1CC(CCN1)c2ccc(cc2)-c3cnn(c3)C	191
+c1cc(ccc1-c2csc(N3C(OCC3COC)=O)n2)Br	21
+c1cc(ccc1-c2nc(N3C(CO)COC3=O)sc2)Br	88
+c1cc(ccc1-c2csc(n2)N)CCN	524
+c1cc(ccc1)-c2csc3c2ccc(c3)OC	5014
+c1cc(ccc1-c2n(c3c(c2C#N)ccc(c3)OCCn4cncc4)CC)NC(=O)C5CC5	871
+c1cc(ccc1-c2c(C#N)c3ccc(cc3n2CC)O)NC(=O)C4CC4	10857
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+c1cc(ccc1-c2n(nc(C#N)c2C)-c3ccc(Cl)cc3Cl)Cl	331
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)-c3nnnn3C	90
+c1cc(ccc1-c2c3CCCCCc3nc4ccnn24)O	16
+c1cc(ccc1C#N)-c2n3c(nc2)cnc(-c4ccc(cc4)C(OCC)=O)c3	356
+c1cc(ccc1-c2c(-c3ccc(c(c3)N)C)nc4ccc(nn24)OC)F	0
+c1cc(ccc1-c2nc(-c3ccc(-c4ccccc4)c(Cl)c3)on2)C=O	39
+c1cc(ccc1F)-c2nc(nn2CC(=O)O)-c3ccc(cc3)F	4
+c1cc(ccc1-c2nc(co2)C(O)=O)NC(=O)c3[nH]c(c(CC)n3)Cl	1
+c1cc(ccc1-c2nc(C)ns2)N	0
+c1cc(ccc1-c2c3n(ccnc3N)c(n2)C4CCCN4)C(=O)Nc5sc6CCCCc6n5	62
+C1CC1c2nnc3C(c4nc(-c5ccc(cc5)C(=O)O)c6c(nccn46)NCc7c(OC)cc(cc7)OC)CCCn23	1
+CC(C)N1C(C=CC(=C1)c2ncc(nc2-c3ccc(cc3)OC)N)=O	4343
+c1cc(ccc1-c2c3c(nc(n2)N)-c4c(cccc4O)C3=O)F	5
+c1cc(ccc1-c2c(cnc(n2)N)-c3ccc(O)nn3)OC	104
+c1cc(ccc1-c2nc(C(O)=O)c(nc2)N)S(=O)(=O)C	1
+c1cc(ccc1-c2nc(O)c(cn2)O)F	3167
+c1cc(ccc1-c2oc(C)c(n2)CC(O)=O)F	3
+c1cc(ccc1S(=O)(=O)Cc2c(C)oc(-c3ccc(cc3)C(OC)=O)n2)C	10858
+c1cc(ccc1NC(=O)Oc2ccccc2)-c3nc4CN(C)Cc4c(N5CCOCC5C)n3	90
+c1cc(ccc1Cl)-c2occ(n2)CSc3c(c(-c4ccc(cc4)OCC5OC(C)(C)OC5)c(C#N)c(n3)N)C#N	5078
+c1cc(ccc1-c2c(C#N)c(nc(OCC)c2C#N)SCc3coc(-c4ccc(cc4)Cl)n3)OCCO	5078
+c1cc(ccc1N)-c2scc(n2)C(=O)OCC	0
+c1cc(ccc1-c2nc(n3ccnc(c23)NCc4c(OC)cc(cc4)OC)C5CCCNC5=S)C(=O)OC	199
+c1cc(ccc1)CNc2nc(c(c(-c3ccc(cc3)C)n2)C(C(=O)OC)CCC)C	96
+c1cc(ccc1-c2nc(on2)-c3ccc(cc3)O)Oc4ccncc4	16
+c1cc(ccc1-c2csc(N(C)C)n2)N	0
+c1cc(ccc1-c2nc(sc2)Nc3cc(ccc3)OC)C4CCC(CC4)CC(O)=O	3
+c1cc(ccc1-c2nc3c(CCCN3CCCCCCC(O)=O)nc2-c4ccc(cc4)C)C	3
+c1cc(ccc1O)-c2oc3cc(C4=NNC(=O)CC4CC)ccc3n2	16
+c1cc(ccc1-c2[nH]c3c(cccc3)n2)C(O)=O	1
+c1ccccc1-c2nc3c(cccc3)c(c2)Cl	1191
+C1CCCCC1C(C(=O)O)n2c(nc3ccccc23)-c4ccc(cc4)Cl	3
+c1cc(ccc1C)-c2nc3CCCNc3nc2-c4ccc(cc4)C	5079
+c1cc(ccc1C(C)=O)-c2nc3ccc(cn3c2)I	155
+c1cc(ccc1F)-c2cn3c(CCCC3)n2	3035
+c1cc(ccc1NC(=O)C)-c2nc3c(c(N4CC5CCC(C4)O5)n2)cn[nH]3	1002
+c1cc(ccc1-c2nc3ccc(cn3c2C(=O)NC)-c4cccc(c4)C(=O)NC(C)(C)c5ccccc5)F	14
+c1cc(ccc1F)-c2nc3n(c2C(O)=O)cccn3	6
+c1cc(ccc1-c2nc3n(ncc3)c(NCc4c(cc(cc4)Cl)Cl)c2)C(O)=O	1
+c1cc(ccc1-c2nc(c(cn2)OC)O)F	104
+c1cc(ccc1F)-c2ccc(CN)cn2	3143
+c1cc(ccc1-c2c(cccn2)CC)C(OC)=O	1661
+c1cc(ccc1-c2ncccc2C=C)C(OC)=O	5080
+n1cccnc1CN2CC(C2)n3c(-c4ccnc(n4)N)c(nc3)-c5ccc(cc5)F	566
+c1cc(ccc1-c2nn(CC)cc2-c3c4cc[nH]c4ncc3)N	0
+c1cc(ccc1-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)C(=O)O	1
+c1cnccc1-c2c(nn3CCCNc23)-c4ccc(cc4)F	10859
+c1cc(ccc1F)-c2c(C(O)c3nc(C(=O)OC)ccc3)c4ccc(cn4n2)OC	10860
+c1cc(ccc1CC(Nc2ccc(cc2)-c3ccc4n(nc(n4)N)n3)=O)F	33
+c1cc(ccc1-c2nnc(-c3c(N)cccc3)o2)C(=O)O	6
+c1cc(ccc1CO)-c2nnc(s2)-c3ccc(cc3)N4CCC(CC4)(CCCC)OC	98
+c1cc(ccc1C2=Nn3c(C(N2)=O)c(C)nc3C)[N+](=O)[O-]	10861
+c1cc(ccc1-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C)C(O)=O	1
+c1cc(ccc1-c2nnc(O)cc2)CCO	59
+c1cc(ccc1-c2nnc(Cc3cc4sc(cc4cc3)C(=O)Nc5ccccc5N)o2)OC	2810
+c1cc(ccc1-c2nnc(o2)Cc3cc4c(cc(s4)C(O)=O)cc3)OC	6
+c1cc(ccc1-c2nnn(C)c2COc3nnc(cc3)C(O)=O)F	6
+c1cc(ccc1-c2c(n(C)nn2)C(O)=O)C3CCC(CC3)CC(=O)OCC	426
+c1cc(ccc1F)-c2cc(on2)C(=O)C	3153
+n1cccnc1N2C(NC(C(Nc3ccc(cc3)-c4noc(C)n4)c5cc(c(cc5)OCC)OC)=N2)=O	10862
+c1cc(ccc1CN(C2C(NCCCC2)=O)S(=O)(=O)c3ccc(cc3)Cl)-c4nc(CO)on4	59
+c1cc(ccc1-c2c(C#N)c(sn2)NC(=O)Oc3ccccc3)[N+](=O)[O-]	10863
+C1CN(CCN1CC(c2ccc(cc2)OC)=O)c3nc(-c4ccc(cc4)Cl)ns3	676
+c1cc(ccc1N)-c2c(c(NC(NCCCN3CCCC3)=O)sn2)C(=O)N	0
+c1cc(ccc1-c2nnc(-c3c(N)cccc3)o2)C(OCC)=O	0
+c1cc(ccc1OCCc2cc3C(=O)N(C)c4cccnc4N(c3nc2)CC)-c5oc(c(C(=O)O)c5)C	6
+c1cc(ccc1N)-c2cc(C(OCC)=O)c(o2)C	0
+c1cc(ccc1-c2oc(nc2)-c3cccc(-c4oc(nn4)Cc5ccc(cc5)C(O)=O)c3)OC	1
+c1cc(ccc1-c2nnc(o2)Nc3cc(ccc3)Cl)Oc4nc(N)nc(c4)N	185
+c1cc(ccc1-c2oc3c(C(=O)N)cc(cc3c2)F)CNC4CC4	10864
+c1cc(ccc1-c2c(C(O)=O)c3c(o2)nc(Cl)c(c3)Br)F	1
+c1cc(ccc1CNC)-c2oc3c(cc(F)cc3C(=O)OC)c2	2217
+c1cc(ccc1-c2oc3c(cc(F)cc3C(=O)OC)c2)CNC4CC4	10865
+c1cc(ccc1-c2oc3c(cc(c(N(c4ccc(N)c(c4)Cl)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	0
+c1cc(ccc1-c2c(C(=O)NC)c3cc(Br)c(N(Cc4ccc(cc4)Cl)S(=O)(=O)C)cc3o2)F	10866
+c1cc(ccc1-c2oc3c(cc(c(N(c4cc(CC(O)=O)c(cc4)[N+]([O-])=O)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	4
+c1cc(ccc1-c2oc3c(cc(c(c3)N(c4cc(c(N)cc4)CC(=O)OC)S(=O)(=O)C)C5CC5)c2C(NC)=O)F	0
+c1cc(ccc1-c2oc3c(cc(c(N(S(=O)(=O)C)c4cc(c(cc4)N)CCO)c3)C5CC5)c2C(NC)=O)F	95
+c1cc(ccc1N)-c2oc3c(cccc3c2)C(=O)OC	0
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+c1cc(ccc1-c2oc3c(cc(c(c3)N(c4cc(CC(=O)OC)c([N+](=O)[O-])cc4)S(=O)(=O)C)C5CC5)c2C(NC)=O)F	1540
+c1cc(ccc1-c2c(c3cc(O)c(cc3o2)CC(=O)OC)C(=O)NC)F	1206
+c1cc(ccc1-c2oc3ccc(O)cc3n2)C#N	818
+c1cc(ccc1-c2ocnc2)N	0
+c1cc(ccc1F)-c2cc(C(O)=O)no2	6
+c1cc(ccc1-c2sc(cc2)-c3ccc(O)cc3F)C(O)=O	5
+C1CC1(c2ccc(cc2)-c3ccc(cc3)-c4sc(Cl)cc4NC(=O)OC(C)c5c(cc(cc5)F)F)C(O)=O	3
+C1CC1(c2ccc(cc2)-c3ccc(cc3)-c4sc(F)cc4NC(OC(c5ccccc5C)C)=O)C(O)=O	3
+c1cc(ccc1-c2sc(cn2)C(Nc3nccc(n3)N4C(C(C)N)COC4=O)C)Cl	18
+c1cc(ccc1-c2sc(nc2-c3ccc(cc3)CCCN)NC(=O)C)S(=O)(=O)C	45
+c1cc(ccc1-c2c(-c3ccc(cc3)C=O)nc(s2)NC(=O)C)S(=O)(=O)C	39
+c1cc(ccc1-c2sc(nc2-c3ccc(cc3)CO)NC(=O)C)S(=O)(=O)C	59
+c1cc(ccc1-n2c(-c3ccc(cc3)C)cc(C4(CCC(CC4)=O)O)n2)Cl	97
+c1cc(ccc1-n2nc(C(O)=O)c(C(C)C)c2C=O)F	1
+c1cc(ccc1-n2c(NC3=NCCN3)cc(C)n2)F	10867
+c1cc(ccc1-n2ncc(c2C)C(=O)NC(CCC)c3cc(cnc3)Br)Cl	4314
+c1cc(ccc1F)-n2c(-c3cn(cn3)-c4ccc(C(OC)=O)cn4)c(nn2)C	3033
+c1cc(ccc1Cl)-n2c(C(CO)C3CCCCC3)c4CCCc4n2	44
+CC(C)Cc1n(nc(c1)C=O)-c2ccc(cc2)F	1406
+c1cc(ccc1C(=O)OCC)-n2c(cc(C=C)c2)C#N	5080
+c1cc(ccc1-n2c(cc(n2)CC)CC)O	5
+c1cc(ccc1-n2c(-c3ccc(cc3)Cl)cc(CCC(=O)C)n2)OC	86
+c1cc(ccc1Cl)-n2c(C)cc3c(c(OC)cc4ncnc2c34)OC	10868
+c1cc(ccc1-n2nccc2C(C(CC)CC)NS(=O)(=O)c3ccc(Cl)s3)O	5
+c1cc(ccc1-n2nccc2NC(=O)CSc3nnnn3-c4c(C)ccc(C)c4)OC	142
+c1cc(ccc1-n2cncc2C=O)C#N	614
+c1cc(ccc1-n2c(COCc3ccc(cc3)Cl)nc(-c4c(noc4C)-c5ccccc5)c2)[N+]([O-])=O	2130
+c1cc(ccc1O)-n2c(nc3cnccc23)-c4nonc4N	5
+c1cc(ccc1-n2c(ncc2C(C)(C)c3cc(Cl)c(cc3)Cl)CO)F	10869
+c1cc(ccc1CCN)-n2c3c(c(C)cc(C)n3)nc2CC	18
+c1cc(ccc1CCO)-n2c3c(c(C)cc(C)n3)nc2CC	10870
+c1cc(ccc1-n2ccc3ccccc23)OCc4ccc(cc4)C#N	22
+c1cc(ccc1C(=O)C(=O)O)-n2c3c(nc2)cccn3	2249
+c1cc(ccc1-n2c3c(nc2)c(ccc3)N)C#N	13
+c1cc(ccc1O)-n2c(cc3ccccc23)CCOC	16
+c1cc(ccc1C)-n2cc(cn2)N	209
+c1cc(ccc1-n2cc(nc2)CNC(c3sc(cc3)Cl)=O)N4C=CC=C(O)C4=O	2285
+c1ccccc1-c2cn(-c3ccc(cc3)CCNC(Oc4ccccc4)=O)c(CC)n2	101
+c1cc(ccc1-n2nc(C(=O)O)cc2)F	6
+c1cc(ccc1-n2c3c(cc2)cccc3)O	5
+c1cc(ccc1-n2cccn2)Cc3c(OC(F)F)nc4c(ccc(c4c3C)OCC(O)=O)Cl	4
+c1cc(ccc1-n2cc(nc2)C(O)=O)S(=O)(=O)C	1
+c1cc(ccc1-n2cnc(CN)c2)N3C=CC=CC3=O	18
+c1cc(ccc1-n2ccnc2)NCC3CN(c4ccc(c(Cl)c4)Cl)CCN3CC	15
+c1ccccc1CNC(=O)c2c(C(C)C)c(C=O)n(-c3ccc(cc3)F)n2	81
+c1cc(ccc1-n2c3nc(C)cc(C(O)=O)c3c(n2)C)OC	6
+c1cc(ccc1F)-n2nc(c(OCC)c2)C(=O)O	6
+c1cc(ccc1-n2c(NC3=NCCN3C(C)=O)cc(C)n2)F	10871
+c1cc(ccc1N)-n2c(CN(C)C)c3c(N(C(=O)N(c4cccc(c4F)OC)C3=O)Cc5c(F)cccc5F)n2	0
+c1cc(ccc1-n2cc(cn2)C(O)=O)Oc3c(Cl)ccc(c3)F	6
+c1cc(ccc1)C(C(C)N)Oc2ccc3c(cnn3-c4ccc(cc4)C(OC)=O)c2	669
+c1cc(ccc1Br)-n2c(c(C)nn2)C(O)=O	1
+c1cc(ccc1-n2nnc(C(=O)NC3CC3)c2CCCN)C(=O)NCC	45
+c1cc(ccc1-c2c3n(ccc(n3)NCCOC)nc2)-c4[nH]nnn4	2673
+n1cccnc1-c2ccc(cc2)C#CCO	2294
+c1cc(ccc1N2C=CC3=C(C(c4ccc(cc4)Cl)=NCc5onc(C)c35)C2=O)C#N	10872
+c1cc(ccc1-c2ccc(cc2)C3C(C3)CCO)C#N	11
+c1cc(ccc1-c2ccc(cc2)C#N)N3C4C(CN(C)C4)CC3	11
+c1cc(ccc1-c2n3c(cnc(c3)Br)nc2)C#N	4772
+c1cc(ccc1-c2c3CCCC(N)c3cnc2)C#N	89
+c1cc(ccc1-c2nc3n(cc(COc4ccc(cc4)C(CC(=O)OCC)C#CC)cc3)n2)C(C)C	4983
+c1cc(ccc1C(C)C)-c2ccncc2	835
+c1cc(ccc1C(OC)=O)-c2ccc(nc2)C#N	89
+c1cc(ccc1OC)-c2ccc(c(F)c2)-c3ccc(cc3)CCC	11
+C1CCCC1(C(=O)O)c2ccc(cc2)-c3ccc(cc3)CCN4C(CCC4)C	667
+c1cc(ccc1CO)-c2ccc(C=O)nc2	89
+c1cc(ccc1CO)-c2nccnc2	696
+c1cc(ccc1C(=O)Nc2ccc(F)c(-c3ccc(cc3)Cl)c2)Oc4c(cc5c(OCCC5C(OCC)=O)c4)Cl	11
+c1cc(ccc1Cc2c(-c3ccc(cc3)Cl)sc4c2C(N(C(=O)N4C)CCC(=O)OC)=O)Cl	10873
+c1cc(ccc1Cl)-c2cc(c3nccn3c2)C	89
+c1cc(ccc1-c2cncc3c2cc(C(=O)O)cc3)Cl	89
+c1cc(ccc1NC(C(c2ccc(cc2)F)C)=O)B(O)O	33
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(c(-c5ccccn5)n4)-c6cc(ncc6)-c7ccc(cc7)N	119
+c1cc(ccc1N(C)C)-c2c(nc(nc2)NCc3ccncc3)NC4CCN(CC4)Cc5ccccc5	537
+c1cc(ccc1N(C)C)-c2ccnc(Cl)n2	198
+c1cc(ccc1-c2cc3c(OC(CC34C(N(C)C(N)=N4)=O)c5ccccc5)cc2)OCc6ccccc6	11
+c1cc(ccc1-c2cnc(nc2)C3=CCOCC3)S(=O)(=O)Nc4c(F)cc(c(F)c4)C(OC)=O	537
+n1cc(cnc1COC)-c2ccc(cc2)S(=O)(=O)Nc3c(F)cc(c(F)c3)C(OC)=O	537
+OB(O)c1ccc(cc1)-c2c3ccccc3c4c(c2)cccc4	579
+c1cc(ccc1Br)-c2c(n(C)nn2)C(O)=O	6
+c1cc(ccc1-c2c(C(O)=O)c(no2)C)Br	1
+c1cc(ccc1-c2nc(-c3cc(c(cc3)F)F)oc2C4C(CCCC4)C(O)=O)Br	4
+c1cc(ccc1Br)-c2onc(C)c2CCO	44
+c1ccccc1COC(c2c(-c3ccc(cc3)Br)nnn2C)=O	470
+c1cc(ccc1-c2nn3c(Cc4c5c(cccc5)[nH]c4)nnc3nc2)Br	10874
+c1cc(ccc1-c2nc(C)c(C)n2CC3CN(C(C4CC4)=O)CC3)-c5ccc(cc5)F	11
+c1cc(ccc1OCCc2c(C)oc(n2)-c3ccc(cc3)Br)OC(C)(C)C(OCC)=O	267
+c1cc(ccc1Br)-c2nc(c(C)o2)CCOCc3ccccc3	149
+c1cc(ccc1-c2nc(oc2C3C(CCCC3)C(O)=O)-c4cccc(c4)Cl)Br	4
+c1cc(ccc1Br)-c2nc(c(o2)C)CCO	21
+c1cc(ccc1Br)-c2c(c(C)no2)CC(OCc3ccccc3)=O	283
+c1cc(ccc1-c2ccc(s2)C(=O)CCc3c(c(c(O)cc3)Cl)Cl)Br	2301
+c1cc(ccc1-n2c(c(cc2Cl)N)C(OCC)=O)Br	10875
+c1cc(ccc1-n2c(cc3c2c(O)c(C#N)c(n3)O)Cl)Br	10876
+c1cc(ccc1F)-c2ccc(cc2)Br	134
+n1cc(cnc1N)-c2ccc(cc2)Br	537
+c1cc(ccc1Br)-c2ccccn2	119
+C1CN2CCC1C(C2)C(C#Cc3ccc(cc3)C(OC)=O)(c4ccccc4)O	197
+c1cc(ccc1C(CO)C)Br	44
+c1cc(ccc1Br)C(CO)CO	5077
+c1cc(ccc1Br)-c2c(C3C(C(=O)OC)CCCC3)oc(n2)-c4cc(c(cc4)F)F	5081
+c1cc(ccc1Br)C(C)CCO	21
+CC(C)C(CCNC(c1ccc(cc1)Br)C)=O	97
+c1cc(ccc1Sc2c([N+](=O)[O-])cc(cc2)OC(C)c3ccc(cc3)Br)O	825
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br	15
+C(C)C(CC)(c1ccc(cc1)Br)c2cc(c(O)cc2)C	1848
+c1ccccc1COC(NC2CCC(N3CCCC(C(NCC(c4ccc(cc4)Br)=O)=O)N3C2=O)=O)=O	612
+c1cc(ccc1Br)C2(COC2)COCc3ccccc3	10877
+c1cc(ccc1C)S(=O)(=O)OCC(COC(=O)C)c2ccc(cc2)Br	36
+c1cc(ccc1Br)-c2nc(oc2C3C(C(=O)OC)CCCC3)-c4cccc(c4)Cl	5081
+c1cc(ccc1C(c2ccc(cc2)Cl)CC(OCC)=O)Br	10878
+c1cc(ccc1Br)C2(CCCC2)CO	237
+c1cc(ccc1)CN2CCC(=CC2)c3ccc(cc3)Br	252
+c1cc(ccc1Br)C2CCN(CC2C)C(OC)=O	564
+c1cc(ccc1C2C(C=C)C2)Br	4278
+c1cc(ccc1C2C(C2)CC=3N(CC)C(=O)NN=3)Br	2082
+c1cc(ccc1Br)C2CC2C=O	24
+c1cc(ccc1C2C(C2)N)Br	157
+c1cc(ccc1Br)C2CC(CC2)(N)C(O)=O	10879
+c1cc(ccc1Br)C2C(CNCC2)C	1574
+c1cc(ccc1S(=O)(=O)N(C)c2cccc(OC)c2)-c3ccc(cc3)C=O	2256
+c1cc(ccc1Nc2ncc3c(ccc(c3)-c4ccncc4)n2)C=O	490
+c1cc(ccc1Br)CN(n2cnnc2)c3ccc(cc3)[N+]([O-])=O	10880
+c1cc(ccc1Br)Cn2ccnc2	371
+c1cc(ccc1CC(CO)C)Br	21
+c1cc(ccc1Br)CC(C(O)=O)C	3
+c1cc(ccc1Br)CCCO	21
+c1cc(ccc1CCc2ccccc2CO)Br	217
+c1cc(ccc1CCc2c(cccc2)CCN)Br	51
+c1cc(ccc1Br)CN(n2cnnc2)c3ccc(cc3)N	0
+c1cc(ccn1)-c2ccc(cc2)CN3C(C(OC)=CC=C3)=O	498
+CC(C)CC(C(=O)O)NCc1ccc(cc1)Br	4
+c1cc(ccc1Br)COCC(C)CO	95
+c1cc(ccc1C2CCC(c3ccc(cc3)[N+]([O-])=O)N2c4ccc(cc4)Br)[N+]([O-])=O	10881
+c1cc(ccc1Br)N2C(=O)NN=C2CC3CN(CC3)C(=O)C4CC4	2585
+c1cc(ccc1Br)NC(c2cc(N)c(NCCN(C)C)cc2)=O	0
+c1ccccc1-c2[nH]c3ccc(Br)cc3c2CCCCC	1150
+c1cc(ccc1C(Oc2ccc(cc2)Br)CCCCCC)C(=O)OC	20
+c1cc(ccc1Cc2cc(ccc2O)Br)F	4669
+c1cc(ccc1C=2S(=O)c3cc(ccc3C=2Oc4ccc(cc4)Br)OC)OC	10882
+c1cc(ccc1Br)OCc2cnc(OC)cc2	20
+c1cc(ccc1Br)OC(C)CN	15
+c1c(cc(CC(=C)C)c(c1)O)Br	1625
+c1cc(ccc1Br)OCc2csc3c(cnc(N)c23)C(NCCCOCC(CO)O)=O	265
+c1cc(ccc1Br)Oc2c(cc(c(C)c2)N)C	0
+c1cc(ccc1-c2cc3OCOc3cc2-c4ccc(cc4)F)S(=O)(=O)N	11
+c1cc(ccc1Nc2nn(-c3ccccc3)cc2C(N)=O)S(=O)(=O)N4CCOCC4	781
+c1cc(ccc1-c2ccc(cc2)C)S(=O)(=O)Nc3cc(no3)C	11
+c1cc(ccc1S(=O)(=O)n2c(CO)cc3ccccc23)Br	194
+c1cnccc1-n2c(ccn2)-c3ccc(cc3)C#Cc4ccc5c(n4)cccc5	10883
+c1cc(ccc1C(C)C(=O)NCC)C#Cc2cnc(nc2)Cl	10884
+c1cc(ccc1C#Cc2nc(ncc2)Cl)F	838
+c1cc(ccc1C#Cc2ccc(cc2)OC)C(C(NCC)=O)C	129
+c1cc(ccn1)C#Cc2ccc(cc2)OC	4809
+c1cc(ccc1C#Cc2ccc(cc2)OCCCCCC)OCCCCCC	129
+c1cc(ccc1Cl)-c2cnc(C#Cc3ccc(cc3)OCCO)cn2	5031
+c1cc(ccc1C#C)CCCCC	2110
+CC1(C)CCC(C)(C)c2ccc(cc12)CC#Cc3ccc(cc3)C(=O)O	10885
+c1cc(ccc1CCCCCCCOC)C2CCC(C2)(N)C(=O)OC	213
+C1CCCCCN1CCCOc2ccc(cc2)CCCCO	213
+c1cc(ccc1CCCO)C(OC)=O	213
+c1cc(ccc1C#CCOS(=O)(=O)c2ccc(cc2)C)Cl	2390
+c1cc(ccc1C#Cc2cc(F)ccc2)C(=O)O	6
+c1cc(ccc1C(=O)O)C#Cc2cc(c3OC(C)(C)CC(C)(C)c3c2)C4CC4	6
+c1cc(ccc1C#Cc2cc(CO)c3c(c2)C(C)(C)CC(C)(C)O3)CC(=O)OC	41
+c1cc(ccc1C#Cc2ccc(cc2)CN3CCOCCC3)C(N(C)C(C)(C(=O)NO)C(NC)=O)=O	792
+c1cc(ccc1CCCC)C#Cc2ccc(cc2)C(=O)O	1
+c1cc(ccc1C#Cc2ccc(cc2)CN3CCOCCC3)C(=O)O	6
+c1cc(ccc1C#N)-c2ncc(N)nc2-c3ccc(cc3)C	696
+c1cc(ccc1-c2ccc3C4C(N(c5ccccn5)N=C4CCc3c2)=O)C#N	2472
+c1cc(ccc1CC=O)-c2ccc(cc2)C#N	1292
+c1cc(ccc1C#N)-c2cnc3cnc(-c4ccc(cc4)C(=O)O)cn23	6
+c1cc(ccc1-n2c(cnc2)CO)C#N	874
+c1cc(ccc1C#N)-n2nc(c(CO)c2C)C	10886
+c1cc(ccc1C#N)-n2c(C)c(c(n2)C)COc3ccccc3C	20
+c1cc(ccc1C#Cc2cc(F)ccc2)C#N	455
+C1CC(CCC1)Cn2c3c(nc2-c4c(cc(cc4)Cl)CCc5ccc(cc5)C#N)cccc3	1702
+c1cc(ccc1C(NCc2ccc(cc2)N3C(=O)OC(C(O)=O)C3)=O)C#N	93
+c1cc(ccc1C#N)-c2nc(no2)-c3ccc(cc3)-c4ccc(cc4)OCCCC(=O)O	2304
+c1cc(ccc1C#N)-c2nnc(C(Nc3c4c(cccc4)c(C#N)cc3)C(C)O)o2	877
+c1cc(ccc1C2OC2)C#N	3146
+c1cc(ccc1C#N)-c2nc3ccc(cn3c2)I	440
+c1cc(ccc1C(n2cncc2)CCN)C#N	18
+c1cc(ccc1Cc2ccc(cc2)OC)C#N	452
+c1cc(ccc1C#N)C2C(=O)N(c3ncc(C(=O)NCCCn4cccn4)cc3)N=C2	56
+c1cc(ccc1C#N)-c2c(cc(O)nn2)C	10887
+c1cc(ccc1CCC(OCC)=O)C#N	159
+c1cc(ccc1COc2c(c(cnc2C)CNc3ccc(cc3)C#N)CO)C#N	483
+c1cc(ccc1C#N)CN(C2C(NCCCC2)=O)S(=O)(=O)c3ccc(cc3)Cl	3544
+c1cc(ccc1C#N)CCC(C=Cc2c(cccc2)OCCCCCc3ccccc3)CCCCC(OCC)=O	8
+c1cc(ccc1CCC(CCCCC(OCC)=O)C=O)C#N	24
+c1cc(ccc1C)S(=O)(=O)OCCc2ccc(cc2)C#N	36
+c1cc(ccc1OCCc2ccc(cc2)C#N)C=O	262
+c1ccccc1S(=O)(=O)Nc2cc(ccc2)OCCc3ccc(cc3)C#N	69
+c1cc(ccc1C#N)CCOc2cc(N)ccc2	0
+c1cc(ccc1F)S(=O)(=O)NCc2ccc(cc2)C#N	71
+c1cc(ccc1CN)CNC(N2CCN(CC2)C(=O)CNC(=O)OCc3ccccc3)=O	107
+c1cc(ccc1C#N)Cn2c3c(F)cccc3c(C(O)=O)n2	1
+c1cc(ccc1C#N)Cn2nc(N)cc2	161
+c1cc(ccc1Nc2ccc(cc2)C#N)OC	275
+c1cc(ccc1OC)Sc2ccc(cc2)C#N	815
+c1cc(ccc1C#N)-n2nccc2	926
+c1cnccc1Oc2ccc(cc2)C#N	754
+c1cc(ccc1NC(Nc2ccc(cc2)C#N)=S)NNC=O	773
+c1cc(ccc1N(C)C(=O)c2cn3c(cnc3cn2)Br)C#N	10888
+c1cc(ccc1C)S(=O)(=O)OCCCNc2ccc(cc2)C#N	36
+c1ccccc1N(C(C2CCc3c(c4cc(ccc4[nH]3)C#N)C2)=O)C	518
+c1cc(ccc1C#N)Nc2cc(C)nc(C)c2N	13
+c1cc(ccc1C#N)Nc2ncc(C(O)=O)c(NCCC)n2	6
+o1c2c(c3cc(C#N)ccc13)cc(F)c(OC)c2	5082
+c1cc(ccc1OC)CCN(S(=O)(=O)c2ccc(cc2)C#N)CCC(=O)OC	92
+c1cc(ccc1C(=COC(F)F)C(NCCc2cc(OC)c(O)cc2)=O)Cl	16
+C1CCCCC1C(C(=O)O)NC(=O)C(C(NCc2ccccc2)=O)Cc3ccc(cc3)C(=N)N	4
+c1cc(ccc1-c2nc3c([nH]2)cccc3)-c4nc(-c5ccc(cc5)Cl)on4	2185
+c1cc(ccc1S(=O)(=O)ON=C(c2ccc(cc2)F)C#N)C	3643
+c1cc(ccc1CCO)-c2nc(on2)-c3c(CCC)c(on3)-c4ccccc4	10889
+c1cc(ccc1Oc2ncccc2)-c3nc(on3)-c4ccc(cc4)OCc5ccccc5	2304
+c1cc(ccc1C)C(=O)C(Nc2c(cccc2)-c3cc(c(cc3)OC)OC)=O	2678
+C1CC(CCN1C(=O)C)c2oc(-c3ccc(cc3)F)c(n2)CO	10890
+c1cc(ccc1C(=O)C(OCC)=O)Nc2ncccc2N	13
+c1cc(ccc1-n2cncn2)C(C)=O	4998
+c1cc(ccc1C(O)C)Oc2c([N+](=O)[O-])cc(cc2)Cl	74
+c1cc(ccc1Oc2cc(-c3ccc(-c4nccs4)[nH]3)cc(c2)OC(COC)C)C(C)O	74
+c1cc(ccc1[N+](=O)[O-])C=2Oc3c(cc(cc3)Br)C(=O)C=2	3166
+c1cc(ccc1[N+](=O)[O-])C2=CC(c3c(ccc(c3)OC)O2)=O	3166
+c1cc(ccc1C(C=2C(N(c3nnc(cc3)C)C(C=2O)=O)c4ccc(cc4)N5CCN(CC5)CCN(C)C)=O)C(C)C	4716
+c1cc(ccc1O)C(c2ccc(cc2)O)=C(CC)c3ccc(cc3)OCC(OCC)=O	1051
+CC(C)=CCCC=1CCC(CC=1)CCc2ccc(cc2)OC	165
+c1cc(ccc1CCCC(O)=O)CC(NC(=O)C)C	165
+c1cc(ccc1N)C(=O)CCC(O)=O	106
+c1cc(ccc1CCCC(=O)O)SC	165
+c1cc(ccc1C(=O)O)C(CCC)=O	1
+c1cc(ccc1Sc2ccccc2)CCCC	165
+c1cc(ccc1-c2c(CCC(=O)O)c3cc(Cl)ccc3[nH]2)Cl	1150
+c1cc(ccc1O)CCCCCCCCCCCC	165
+c1cc(ccn1)NC(c2ccc(cc2)C(=O)CNC(OCc3ccccc3)=O)=O	50
+c1ccccc1CN2C(=NC3=C(C2=O)CCCN3)C(N(C(=O)c4ccc(cc4)Br)CCN(C)C)CC	115
+c1ccccc1CN2C(=O)C=3CCCC=3N=C2C(N(CCN(C)C)C(=O)c4ccc(cc4)Br)CC	115
+c1cc(ccc1CCl)C(Nc2cc(ccc2C)Nc3nc(-c4cccnc4)ccn3)=O	50
+c1cc(ccc1C2(CCN(C2)Cc3ccccc3)C)NC(c4ccc(cc4)Cl)=O	50
+c1cc(ccc1Cl)C(Nc2ccc(cc2)Cc3c4c(n(c3C)CC(OCC)=O)cccc4)=O	50
+c1cc(ccc1Cl)C(Nc2ccc(cc2)Cn3nc(c4ccccc34)CC(=O)OCC)=O	50
+c1cc(ccc1C(Nc2ccc(cc2)SC)=O)Cl	50
+c1cc(ccc1Cl)C(NCC(c2ccsc2)=O)=O	2895
+c1cc(ccc1C(Nc2ccc(cc2)C3Nc4c(CC3(C)C)cc(C(=O)OC)cc4)=O)F	50
+c1cc(ccc1C(Nc2ccc(cc2)C(OCC)=O)=O)F	50
+c1cc(ccc1Nc2nc(C(N)=O)c(NC(=O)c3ccc(cc3)F)s2)OC	3154
+c1cnccc1Sc2cnc(NC(=O)c3ccc(cc3)F)s2	548
+c12c(CC(C1)NC(=O)c3ccc(cc3)F)cccc2	93
+c1cc(ccc1F)C(NC2CCN(CC2)Cc3ccccc3)=O	93
+c1ccccc1COc2nn3c(CN(C(=O)c4ccc(cc4)F)CC3)c2	115
+c1cc(ccc1C(Nc2cnc(cc2)OCC(OC)=O)=O)F	660
+c1cc(ccc1C(=O)N2c3ccccc3CCc4ccccc4C2)NC(c5c(cccc5)C)=O	448
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3c4c(cccc4)-n5c(ccc5)C3	448
+c1cc(ccc1[N+](=O)[O-])C(=O)Nc2scc(COc3ccc(cc3)CCCCn4ccnn4)n2	548
+c1cccc2-c3ccccc3C(c12)COC(=O)NCCOC(=O)c4ccc(cc4)[N+](=O)[O-]	279
+c1cc(ccc1C(=O)c2ccc(cc2)[N+]([O-])=O)Cl	222
+c1cc(ccc1C#Cc2ccc(cc2)C=O)C(N(C(C)(C(=O)NOC3OCCCC3)C(=O)NC)C)=O	129
+c1cc(ccc1C(N(C)CCC(O)=O)=O)NC(c2oc3c(cc(cc3)OC)c2C)CCCCOC	3
+c1cc(ccc1C(N)=O)-c2ccc(C=O)nc2	89
+c1cc(ccc1CCN)C(=O)N	18
+c1cc(ccc1C(N2CCC(CC2)(c3ccccc3)C(O)=O)=O)-c4nc(C)no4	4
+c1cc(ccc1N)C(=O)N2Cc3n(ccc3)Cc4c2ccs4	0
+c1cc(ccc1C(N2c3c(C(=C)CCC2)cccc3)=O)NC(c4c(C)cccc4)=O	10891
+c1cc(ccc1N)C(N2c3ccccc3Cc4c(cccc4)C2)=O	0
+c1cc(ccc1N)C(N2Cc3ccnn3Cc4ccccc24)=O	0
+c1cc(ccc1C(NC2(CC2)C(NC3c4n(-c5c(cccc5)CC3)ccn4)=O)=O)F	9
+c1cc(ccc1S(=O)(=O)Nc2c(F)cc(cc2F)F)C(=O)NCC(O)C(O)CO	265
+c1cc(ccc1C(=O)NCCO)N	0
+c1cc(ccc1C(=O)NN=C2c3cc(I)ccc3NC2=O)NC(CCCCC)=O	2305
+c1cc(ccc1Cl)C(Nc2c(C(O)=O)nccn2)=O	1
+c1cc(ccc1-c2nc3c(Br)ccc(OC)c3[nH]2)C(C)C	4193
+c1cc(ccc1C(=O)Nc2ccc(C)c(C=O)c2)CN3CCN(CC3)C	39
+c1cc(ccc1C(=O)Nc2cc3c(ncn3C(c4ccccc4)CC(O)=O)cc2)N	3
+c1cc(ccc1-c2nnc(o2)-c3c(noc3C)-c4ccccc4)C(n5ccnc5)=O	4859
+c1cc(ccc1CCCl)CO	611
+c1cc(ccc1CCc2n3c(ccc2)cnc3)CO	49
+c1cc(ccc1CNC(OCc2ccccc2)=O)C(=O)Nc3ccccc3N	67
+c1cc(ccc1-n2cc(nn2)-c3ccc(cc3)NC(=O)c4c(Cl)c(c(C)[nH]4)Cl)C(O)=O	2274
+c1cc(ccc1)Nc2ccc3ccc(NC(c4ccc(cc4)OC)=O)nc3n2	650
+c1cc(ccc1C=CC(OCCCCCCCl)=O)OC(c2ccc(cc2)OCCOC)=O	852
+c1cc(ccc1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl	14
+c1cc(ccc1C(Nc2nnc(Cl)cc2)=O)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl	650
+c1cc(ccc1C(=O)O)-n2c3c(nc2C)cccc3	1
+c1cc(ccc1C(O)=O)-n2c3ccc(C#N)cc3nc2C	1
+c1cc(ccc1C(C)CCO)C(=O)O	1
+c1cc(ccc1C(=O)OC)C(C)CCO	168
+c1cc(ccc1C(C)n2nnc(CC3N(C=CNC3=O)S(=O)(=O)c4ccc(Cl)c(Cl)c4)c2)CO	98
+CC1(C)COC(c2ccc(cc2)C(OC)=O)=N1	10892
+c1cc(ccc1-c2c(O)nccc2)C(OC)=O	4774
+c1cc(ccc1CO)C2N3C(CCC2)CCC(C3=O)=Cc4cc(c(-n5cc(nc5)C)cc4)OC	98
+C1CC1(CCC(CCc2ccc(cc2)C(=O)OC)CO)CC(OCC)=O	21
+c1cc(ccc1C(=O)OC)CCC(CCC2(CC2)CC(OCC)=O)C=Cc3c(O)cccc3	1992
+c1cc(ccc1Cc2ccccc2OCc3ccccc3)C(=O)OC	22
+c1cc(ccc1NC(c2oc3c(cc(cc3)OC)c2C)CCCCOC)C(O)=O	1
+c1cc(ccc1C(=O)OC)-n2c(nc3c2ccc(C#N)c3)C	3981
+c1cc(ccc1Nc2c(cc(C#N)cc2)N)C(=O)OC	0
+c1cc(ccc1Oc2c([N+](=O)[O-])cc(cc2)Cl)C(=O)O	1
+c1cc(ccc1C(=O)OC)Oc2ccc(cc2)CO	41
+c1cc(ccc1C(=O)OCC)-c2cc3c(ncnc3[nH]2)NCc4cnc(cc4)OC	974
+c1cc(ccc1C(O)=O)-c2c(C)ccc(NC(c3cccs3)=O)c2	6
+c1cc(ccc1CO)-c2[nH]c3ncnc(NCc4ccc(nc4)OC)c3c2	217
+c1cc(ccc1-c2ccc3n(c(-c4ccc(cc4)C#N)cn3)c2)C(=O)O	6
+c1cc(ccc1-n2cc(cc2C#N)C=C)CO	217
+c1cc(ccc1C#Cc2cc(F)ccc2)C(OCC)=O	455
+c1cc(ccc1N2CCN(CC2)c3ccc(cc3)OCCCCCCOC)C(OCC)=O	34
+[O-][N+](OCCCCO)=O	2118
+c1cc(ccc1O)C(c2nc3c([nH]2)cccc3)=O	686
+c1cc(ccc1N)C(c2c(C)c(c3ccccn23)OC)=O	0
+c1cc(ccc1CC)Cc2cc(Br)c(OC)cc2Cl	394
+c1cc(ccc1O)C(c2c(oc3ccc(cc23)F)CC)=O	5
+c1cc(ccc1Cc2c(c(Cl)c(OCC(=O)OCC)cc2)Cl)O	394
+c1cc(ccc1C(c2cc(Br)c(OCCBr)cc2)=O)O	5
+c1cc(ccc1C#N)C(c2ccc(cc2)OC)O	488
+c1cc(ccc1C(c2ccc(cc2)Cl)=O)NC(CC(=O)O)=O	3
+c1cc(ccc1C(=O)c2ccc(cc2)Br)O	5
+c1cc(ccc1Cl)C(=O)c2ccc(cc2)N	0
+c1cc(ccc1C(=O)c2n(c(cc2)Cc3cccc(N)c3)C)C	0
+CC1(C)OC(=CC1=O)c2ccc(cc2)C#N	4020
+C1CC2(OCCO2)CCC1(O)C#CC(c3ccc(cc3)C)=O	3145
+c1cc(ccc1S(=O)(=O)OCC(C#N)(c2ccc(cc2)Br)C)C	36
+c1cc(ccc1Cl)C(C#N)(Cn2cncn2)CCCCCCCCCCCN3CC(C)OC(C)C3	10893
+c1cc(ccc1N)C(CC2CCCC2)C(=O)Nc3sccn3	0
+c1(C)cc(cc(C)c1)C=C(C(O)=O)c2ccc(cc2)Oc3ccc(cc3)C=O	46
+c1c2c(ccc1)Sc3c(cccc3)C2CC(=O)c4ccc(cc4)C#N	10894
+c1cc(ccc1OCc2ccccc2)CC(C(OCC)=O)(C)Oc3ccc4c(cccn4)c3	3168
+c1cc(ccc1N)C(C(=O)OCc2ccccc2)C(C)C	0
+c1ccccc1COC(=O)c2ccc(cc2)-c3cc(C)c(c(C)c3)OCCNC(C(O)c4ccc(cc4)O)C	285
+c1ccccc1CC2CCN(CC2)C(C(O)c3ccc(cc3)N)COc4ccccc4	0
+C1CCCC1CC(c2ccc(cc2)C#CCN(C)C)C(=O)O	4
+C1COCCC1S(=O)(=O)c2ccc(cc2)C(C(O)=O)Oc3ccc(cc3F)F	4
+c1cc(ccc1S(=O)(=O)CC(C)=O)C(C(=O)O)CC2CCCC2	3
+c1cc(ccc1C(C)(C)CN)C(Nc2nc3n(cc(Cl)cc3)c2)=O	51
+CC(C)(c1ccc(cc1)Nc2c3cc(Br)ccc3ncc2N)C#N	13
+c1cc(ccc1-c2ccco2)C(C)(C)CO	21
+CC(C)(c1ccc(cc1)F)CCC(=O)OCC	783
+CC(C)(C=C)c1ccc(cc1)-c2ccco2	2142
+CC(C)(CC(OC)=O)c1ccc(cc1)C(Nc2nc3cc(C)nn3c(-c4ccccc4)c2)=O	330
+c1cc(ccc1C(C)=C(CO)C)C(C)(C)CC	2947
+CC(C)(CO)c1ccc(cc1)F	88
+c1cc(ccc1I)C(NOC)C	10895
+c1cc(ccc1C(C)C)C(CBr)=O	380
+c1cc(ccc1C(C)=O)CC(NCC(O)c2ccccc2)C	87
+c1cc(ccc1C(C)=O)CC(C)=O	86
+c1cc(ccc1C(C)=O)CC(O)C	59
+c1cc(ccc1[N+](=O)[O-])C2(C)C(=O)c3c(cc(Cl)cc3NC2=O)Cl	10896
+c1cnccc1-c2ccc(cc2)C(C)C(NCC)=O	2036
+c1cc(ccc1C(C)C(=O)O)I	4
+c1cc(ccc1C(c2cc(ccc2N)OCC#C)=O)C(C)C	0
+CC(C)c1ccc(cc1)Cc2c(cc(cc2C)C)O	452
+c1cc(ccc1C(C)C)C2=NC(=O)N(Cc3cc(N)ccc3)c4ccc(cc24)OCC#C	0
+c1cc(ccc1C(C)C)C2COc3c(c(c(c(C)c23)NCc4ccccc4)C)C	250
+c1cc(ccc1C(C)C)C2c3c(C)c(N)c(c(c3OC2)C)C	1197
+c1cc(ccc1C(C)C)CN(C(=O)CCc2ccc(cc2)OCc3ccccc3C(=O)O)CCCOCC	1
+c1cc(ccc1O)CCC(=O)N(Cc2ccc(cc2)C(C)C)CCCOCC	10
+c1cc(ccc1Nc2ccc(cc2)C(C)C)C(C)C	10897
+c1cc(ccc1NCc2ccc(OC)nc2)C(C)C	3143
+c1cc(ccc1C(C)C)OC(Cc2ccc(cc2)OCCN)(C)C(=O)OCC	18
+c1cc(ccc1OCCO)CC(C)(C(=O)OCC)Oc2ccc(cc2)C(C)C	168
+c1cc(ccc1OC(C(OCC)=O)(C)Cc2ccc(cc2)O)C(C)C	16
+c1cc(ccc1F)Oc2ncc(cc2C(NC(c3ccc(cc3)Br)C)=O)F	56
+c1cc(ccc1C(C)Nc2c(c(c(cc2F)N)Nc3cc(C4CC4)n[nH]3)F)F	0
+c1cc(ccc1C(C)Nc2nc(Cl)cc(Nc3nccnc3)n2)F	4099
+c1cc(ccc1C(=O)O)C(C)OCC	1
+c1cc(ccc1C(C)n2cc(CC3N(C=CNC3=O)S(=O)(=O)c4ccc(Cl)c(Cl)c4)nn2)C=O	39
+C1CC1C(c2ccc(cc2)Cl)=C(C=O)F	4312
+C1CC(CCN1C)C(O)c2ccc(cc2)Cl	74
+c1cc(ccc1-c2cn3cc(ccc3n2)C)Br	440
+c1cc(ccc1C(CBr)O)NC(=O)C	74
+c1cc(ccc1OCCC)C(=O)Cn2cncn2	10898
+c1cc(ccc1C2=C(COC2=O)c3ccc(cc3)S(=O)(=O)C)-c4cscc4	10899
+c1cc(ccc1CCCC)Sc2ccc(cc2)C(O)CC(CO)(CO)NC(C)=O	10900
+c1cc(ccc1C(CC(C)C)C(OCC)=O)O	16
+c1cc(ccc1C(CC)(CC)c2cc(C)c(C=CC(CC)(CC)O)cc2)-c3ccc(CC(O)=O)cn3	3
+c1cc(ccc1C=O)C(=O)CC2CCCC2	494
+C1CCCC1CC(C(=O)O)c2ccc(cc2)-c3ccc4c(c3)cc[nH]4	4
+c1cc(ccc1C(CNC)CC=C)F	15
+c1cc(ccc1OC)C(OC)CC=CC=CC(Nc2ccccc2N)=O	1259
+c1cc(ccc1Oc2cc(c(O)cc2)CC)C(CCC(NCc3cccnc3)=O)=O	5
+c1cc(ccc1C(CCC(O)=O)=O)-c2c(cc(Cl)cc2)F	4
+c1cc(ccc1F)C2CCCCn3c2nc(Nc4ccc(-n5ncnc5C)c(c4)F)n3	3460
+c1cc(ccc1C(CCCCN2CC(C)NCC2)c3cnccc3)F	215
+c1cc(ccc1O)C(=O)CCN2CC3CC(CC3C2)(O)c4ccccc4	1644
+c1cc(ccc1S(=O)(=O)C)C(C(=O)Nc2cnc(COC(=O)C)cn2)Cc3cc(F)ccc3	1018
+c1cc(ccc1Cl)CC(=O)c2ccc(cc2)O	5
+c1cc(ccc1CCCC(=O)OC)C(Cc2ccccc2)N	18
+c1cc(ccc1OCc2nc3cccnc3cc2)C(=O)Cc4ccncc4	20
+c1cc(ccc1-c2cc3cccc(Cl)n3n2)F	3169
+c1cc(ccc1C(Nc2ccc(cc2)Cl)=O)C=O	50
+c1cc(ccc1OCC(OCCCC)=O)C(Nc2c(Sc3ccccc3-c4[nH]nnn4)cccc2)=O	50
+c1cc(ccc1OCCCCCC)C(Nc2c(cccc2)Oc3cccc(OC(c4[nH]nnn4)C)c3)=O	50
+c1cc(ccc1F)C(F)(F)c2nc(O)c3c(n2)ccs3	10901
+C(C)N(CC)C(c1ccc(cc1)C(CCO)c2cccc(OC)c2)=O	21
+c1cc(ccc1C(N(CC)CC)=O)C(CC(=O)O)c2cc(OC)ccc2	3
+c1cc(ccc1C(N(CC)CC)=O)C=O	39
+c1ccccc1C2(c3ccccc3)CCCN(C2=O)Cc4onc(-c5ccc(cc5)O)n4	1289
+c1cc(ccc1CN)-c2ocnc2	162
+c1cc(ccc1F)C(=S)N	581
+c1cc(ccc1OCCN2CCCC2)CN	162
+n1n(C)cc2c1cc(Cl)nc2OC(C3CC(NC3)=O)C	10902
+c1cc(ccc1C(N2CC(C(C)O)CC2=O)C)OC	100
+c1cc(ccc1C(N2C(=O)CC(C2)C(Oc3nc(Br)cc4ncn(C)c34)C)C)OC	10903
+c1cc(ccc1C(N2CCNCC2)c3ccccc3Cl)Cl	215
+c1cc(ccc1C(N2CCOCC2)=O)Nc3nc(N4CCCC(C4)NC(=O)c5ccccc5)ccc3C(=O)N	93
+c1cc(ccc1C(N2c3c(cccc3)-c4c(cnc(C)n4)CC2)=O)N	0
+c1cc(ccc1F)-n2c(-c3ccc(cc3)[N+](=O)[O-])ncn2	10904
+c1cc(ccc1C(NC(=O)C2CCCCN2CCOc3ccc(cc3)F)C)C(=O)OC	2575
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+c1cc(ccc1C)-c2oc(C)c(Cc3cccc(c3)Br)n2	10905
+C1CC(CCN1Cc2ccccc2)(NC(c3ccc(cc3)OCCCN4CCCC4C)=O)COC	21
+c1cc(ccc1C(=O)NC2Cc3cc(ccc3C2)N)F	10906
+c1cc(ccc1C(=O)NC2Cc3c(ccc(C(C)O)c3)C2)F	74
+c1cc(ccc1C(=O)NCCc2n3C(=O)c4[nH]c(Br)nc4N(CCCCC)c3nn2)O	5
+c1cc(ccc1NC(CCc2cc3c(OCO3)cc2)=O)C(NN=C4c5c(ccc(c5)Br)NC4=O)=O	2305
+c1cc(ccc1NC(CCc2ccc(c(c2)O)O)=O)C(NN=C3c4cc(I)ccc4NC3=O)=O	2305
+c1cc(ccc1)COc2cc(Oc3ccc(cc3)-c4oc(C)nn4)cc(c2)C(OC)=O	877
+c1cc(ccc1C(Nc2cn[nH]c2C(O)=O)=O)C	1
+c1cc(ccc1C(Nc2cc(Nc3ccc(Cl)c(-c4c5ccccc5[nH]c4)n3)ccc2)=O)N	741
+c1cc(ccc1C(Nc2ccc(c(c2)N)C)=O)C#N	0
+c1cc(ccc1C(=O)Nc2cc(CO)c(C)cc2)CN3CCN(CC3)C	98
+c1cc(ccc1C(=O)CCC(O)=O)NC(=O)c2ccc(cc2)C	4
+c1cc(ccc1C(=O)Nc2ccc(cc2)C(O)=O)F	6
+CC1(C)C(Nc2ccc(cc2C1)C(=O)O)c3ccc(cc3)NC(c4ccc(cc4)F)=O	1
+c1cc(ccc1CC(NCC(O)COc2ccccc2)CO)NC(=O)c3ccc(cc3)C(NC)=O	25
+c1cc(ccc1C(Nc2ccc(cc2)CNc3c4c(ccc(I)c4)nc(Cl)n3)=O)F	40
+c1cc(ccc1C(Nc2ccc(cc2)SC)=S)Cl	581
+c1cc(ccc1-c2nc3c(cc(SC)cc3)s2)Cl	2179
+c1cc(ccc1C(Nc2ccc3CCCN(c3c2)S(=O)(=O)c4c(OC)ccc(c4)Cl)=O)CC(O)=O	4
+c1cc(ccc1C(Nc2cccc(C(NN=C3c4cc(I)ccc4NC3=O)=O)c2)=O)C#N	2305
+c1cc(ccc1OCCCCCCCCCCCCCC)CNc2ccccc2	162
+c1cc(ccc1N)C(=O)Nc2ccccc2CCC3N(C)CCCC3	0
+c1cc(ccc1-c2c3c(N)nccn3c(C4NCCC4)n2)C(Nc5ccccn5)=O	62
+C1CCC(C1)c2ccc(cc2)C(=CC(=O)OCC)C	10907
+c1cc(ccc1N2CCOCC2)NC(c3ccc(cc3)-c4csc(n4)C(OCC)=O)=O	67
+c1cc(ccc1-c2ccc(cc2)C=Cc3nc(-c4c(Cl)cc(Cl)cc4)cn3CC)C(O)=O	11
+c1cc(ccc1Oc2ccccc2)NC(=O)CN3CCN(CC3)C(c4ccc(cc4)C(OC)=O)=O	30
+c1cc(ccc1C(OC)=O)-c2nnc(-c3c(noc3C)-c4ccccc4)o2	2226
+c1cc(ccc1Nc2nc(-c3cn[nH]c3-c4cc(ccc4)OCc5ccccc5)ccn2)C(O)=O	55
+c1cc(ccc1NC=C2C(Nc3c2ccc(C(=O)c4cccc(c4)NC(c5sccc5)=O)c3)=O)C(=O)O	1300
+c1cc(ccc1C=CC(=O)Oc2ccc(cc2)C(O)=O)OC	5015
+c1cc(ccc1O)-c2oc3c(cccc3)n2	1328
+c1cc(ccc1CO)S(=O)(=O)NC	49
+c1cc(ccc1C(C=CCN2CCC(CC2)(c3ccc(cc3)Cl)O)O)F	2444
+c1cc(ccc1-c2cc(c(OC(C)c3ccc(cc3)F)nc2-c4c(Cl)cc(cc4)Cl)C#N)C	91
+c1cc(ccc1C2CC(CO2)O)Cl	850
+c1cc(ccc1C(=O)CCC)C(OC)=O	155
+c1cc(ccc1C(O)CCC)CO	41
+c1cc(ccc1C)C2c3c(cc(Br)cc3)CN(C2)C	5057
+c1cc(ccc1C(O)CN(C)Cc2sc3C(=O)C(=CN(c3c2)C)C(=O)NCc4ccc(cc4)Cl)NC(=O)C	822
+c1cc(ccc1CC)Cc2ccccc2OC	452
+c1cc(ccc1Cc2cc3c(OCC3)c(Br)c2)F	452
+c1cc(ccc1Br)C(c2c(OC)ccc(c2)Br)=O	335
+c1cc(ccc1C(c2c(nccc2)F)=O)F	814
+c1cc(ccc1CC=O)C(OC(C)C)=O	24
+c1cc(ccc1-c2ccc(cc2C)N3C(CCC3)=O)C(OC)=O	2795
+c1cc(ccc1C(OC)=O)-c2c(nc(cc2)N3CCCC3=O)C	10908
+c1cc(ccc1-c2ccc(cc2C)N3C(=O)NCC3)C(OC)=O	1760
+c1cc(ccc1C(=O)O)-c2cnc(cc2)C#N	1
+c1cc(ccc1CO)-c2ocnc2	98
+c1cc(ccc1C(=O)O)-c2oc(nn2)-c3c(noc3C)-c4ccccc4	1
+c1cc(ccc1C(O)=O)-c2ocnc2C	1
+c1cc(ccc1C(=O)O)C#CBr	1
+c1cc(ccc1C(=O)N2CCN(CC2)c3c(cccn3)NC(C)C)C(=O)O	1
+C1CN(CCN1C(=O)c2ccc(cc2)C(OC)=O)c3c(N)cccn3	13
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(O)=O	1
+c1cc(ccc1CC(CCCCC#N)C=Cc2c(cccc2)O)C(=O)OC	3170
+c1cc(ccc1C(OC)=O)CC(CCC2(CC2)CC(=O)OCC)CO	21
+c1cc(ccc1CC(C=Cc2ccccc2O)CCC3(CC3)CC(OCC)=O)C(=O)OC	3170
+c1cc(ccc1C(OC)=O)CC(CCC2(CC2)CC(=O)OCC)C=O	24
+c1cc(ccc1CC(CCCCC#N)CO)C(OC)=O	21
+c1cc(ccc1OC)Cn2nnc(-c3cc(C(=O)NCc4ccc(cc4)C(OC)=O)ccc3)n2	93
+c1ccccc1S(=O)(=O)NCc2ccc(cc2)C(OC)=O	71
+c1cc(ccc1Cc2ccc(cc2)-c3occn3)OCCN(Cc4ccc(cc4)C(O)=O)CCN5CCOCC5	1
+c1cc(ccc1C(O)=O)CNC(N2C(C)CN(c3ccc(c(Cl)c3)C#N)C(C)C2)=O	1
+c1cc(ccc1C(OC)=O)CNc2nc(nc(Cl)n2)NC3Cc4c(C3)cccc4	387
+c12c(cccc1)CC(C2)Nc3nc(nc(NCc4ccc(cc4)C(O)=O)n3)N	1
+c1cc(ccc1Cc2ccc(cc2)C(=O)O)CN3CCOCC3	1
+c1cc(ccc1C(=O)OC)NC(c2oc3c(cc(cc3)OC)c2C)CCCCOC	5070
+CCC(CC)C(Nc1ccc(cc1)C(=O)O)c2c(c3c(s2)cccc3)C	1
+c1cc(ccc1C(OC)=O)SC(c2ccccc2OC)Cn3ccnc3	10909
+c1cc(ccc1C(=O)O)SC(c2c(cccc2)O)Cn3cncc3	1
+c1cc(ccc1C(OC)=O)SC(c2c(cccc2)O)Cn3cncc3	5
+c1cc(ccc1C(CC=CC=CC(O)=O)OC)OC	108
+CC(C)Oc1c(C#N)cc(cc1)-c2noc(-c3ccc(cc3)C=O)n2	1054
+C1CC1NCCCOc2c(-c3ccc4C(C)(C)CCC(C)(C)c4c3)cc(-c5ccc(cc5)C(O)=O)cc2	6
+CC1(C)CCC(C)(C)c2cc(ccc12)-c3c(OCCCNC)ccc(-c4ccc(cc4)C(O)=O)c3	6
+c1cc(ccc1-c2ccc(cc2)C(O)=O)COC	6
+c1cc(ccc1-c2ccccc2Cl)C(=O)O	6
+O=S(=O)(N1CCOc2c1cc(C(Nc3ccc(cc3)C(O)=O)=O)cc2)c4c(OC)ccc(Cl)c4	6
+c1cc(ccc1NCCOc2c3c(ccc2)cccc3)C(=O)O	6
+c1cc(ccc1OCCOCCOC)CO	217
+c1cc(ccc1Oc2ccccn2)C(=O)O	6
+c1cc(ccc1C(=O)O)C(Oc2ccc(cc2)Br)CCCCCC	1
+c1cc(ccc1CBr)Cc2cc(Br)ccc2Cl	394
+c1cc(ccc1Cc2cc(Br)ccc2Cl)CCOC(C)=O	394
+FC(F)COc1ccc(cc1)Cc2cc(ccc2Cl)Br	394
+c1cc(ccc1O)C(c2c3ccccc3[nH]c2)=O	5
+c1cc(ccc1O)C(c2cc(Br)c(cc2)OCCBr)=C(c3ccccc3)CC	1051
+c1cc(ccc1C(=O)O)C(c2cc(OC)c(OC)cc2)=O	1
+c1cc(ccc1C(c2cc(OC)c(c(c2)OC)OC)O)OC	488
+c1(cc(cc(OC)c1OC)Cc2ccc(cc2)OC)OC	452
+c1cc(ccc1Br)C(=O)c2ccc(O)c(F)c2	5
+c1cc(ccc1C(CC(O)=O)c2ccc(cc2)Cl)Br	3
+c1cc(ccc1C(c2ccc(cc2)Cl)N3CC(C3)C(c4cc(F)cc(c4)F)C(C)=O)Cl	86
+c1cc(ccc1F)C2(c3ccc(cc3)F)C(=O)NCC2	10910
+c1cc(ccc1F)C2(c3ccc(cc3)F)CCCNC2=O	5058
+c1cc(ccc1F)C(c2ccc(cc2)F)=Cc3n(nnn3)C	10911
+c1cc(ccc1C(c2ccc(cc2)F)=C(n3cnnn3)CO)F	5083
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(C=O)n3cnnn3	5076
+c1cc(ccc1F)C(c2ccc(cc2)F)CCO	44
+c1cc(ccc1C(c2ccc(cc2)F)CCCCC(=O)N3CCNCC3)F	2
+c1cc(ccc1F)C(c2ccc(cc2)F)CCCCCN3CCN(CC3)CCOc4cc(c(OC)cc4)OC	15
+c1cc(ccc1C(c2ccc(cc2)O)=C(CC)c3cccc(OCCCCO)c3)O	44
+c1cc(ccc1C(c2ccc(cc2)O)=C(c3ccc(cc3)OCC(=O)O)CCCC)O	3
+c1cc(ccc1C(c2ccc(cc2)O)=C(CC)c3cccc(OCC(=O)O)c3)O	3
+c1cc(ccc1C(c2ccc(cc2)OC)(c3ccccc3)OCc4cc(CN)ccc4)OC	107
+c1cc(ccc1C(=O)c2ccc(cc2)[N+]([O-])=O)O	5
+c1cc(ccc1Cl)C(O)c2cc3c(cc(nc3cc2)O)-n4cncc4	488
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)(c3cc4c(cc3)nccc4Br)O	10912
+c1cc(ccc1C(c2ccc3c(c(cc(n3)O)-n4cncc4)c2)=O)Cl	10913
+c1cc(ccc1)C(=CC(NCCCCCCCCCC)=O)c2ccc(cc2)N	0
+CC(C)c1ccc2c(C(c3ccccc3C2=O)=O)c1	358
+c1cc(ccc1Cl)C(O)c2ccccc2Cl	488
+C1CNCCC1=C(c2cccnc2)c3ccc(cc3)F	215
+c1cc(ccc1C(c2n(c(C(OCC)=O)cc2C)CC)O)CCl	5084
+c1cc(ccc1CCl)Cc2c(cc(C(OCC)=O)n2CC)C	3156
+c1cc(ccc1C(c2sc(S(=O)(=O)N)cc2)=O)O	5
+c1cc(ccc1C)-c2c(c(CC(C)C)nc3c2cc(OCCO)cc3)C#N	59
+c1cc(ccc1C)-c2c(cccc2)C(Nc3ccc(cc3)C(N(C)c4c(cccc4)C=O)=O)=O	39
+c1cc(ccc1N)Nc2c3c(ccc2)nc(-c4ccc(cc4)C)c(n3)-c5ccc(cc5)C	0
+n1cc(cnc1OCCOc2ncnc(N)c2-c3ccc(cc3)C)Br	482
+c1cc(ccc1C)-c2cc(-n3nnnc3)cc(C(O)=O)c2	1
+c1cc(ccc1-c2cc(cc(N)c2)C(OC)=O)C	0
+c1cc(ccc1C)-c2cc(cc(C(O)=O)c2)-n3c(C)nnn3	1
+c1cc(ccc1-c2n3c(c4ccccc4n3)nc(C)c2C(CCC)C(=O)O)C	4
+c1cc(ccc1C)-c2c(nc3cccc(c3n2)Nc4ccc(cc4)[N+](=O)[O-])-c5ccc(cc5)C	4483
+c1cc(ccc1C)-c2nc3cccc(c3nc2-c4ccc(cc4)C)N	13
+c1cc(ccc1C)-c2oc(C)c(n2)Cc3cccc(CO)c3	41
+c1cc(ccc1C)-n2c(NC(=O)Oc3ccccc3)cc(C(C)(C)C#C)n2	278
+c1ccccc1-c2c(-c3ccc(cc3)C)nc4cccnc4n2	2235
+c1cc(ccc1-n2cc(cn2)[N+](=O)[O-])C	1158
+c1cc(ccc1C)C(O)C(Nc2c(Cl)nccc2)=O	5085
+c1cc(ccc1C)C(O)C(=O)Nc2c(-c3cc(OC)c(cc3)OC)cccc2	5085
+c1cc(ccc1F)-c2scc(n2)-c3ccc(cc3)C	1741
+c1cc(ccc1C(Nc2ccc(cc2)C(=O)CCC(OC)=O)=O)C	50
+c1cc(ccc1C)-c2nnc(o2)CCl	1705
+c1cc(ccc1Cc2c(C)cc(cc2)OC)C	394
+c1cc(ccc1C(O)CN(Cc2cc(ccc2)Br)C)C	74
+c1cc(ccc1C)C=Cn2c3c(c4CN(C)CCc24)cccc3	10914
+c1ccccc1CNc2c(c3c(c(C)c2C)OC(C)(C)C3c4ccc(cc4)C)C	250
+c1cc(ccc1C)C2N(CCC2)c3nc(cc(n3)C(O)=O)Nc4sc(C#N)cn4	1
+c1cc(ccc1Cl)CC(NN2N=C(c3ccccc3C2=O)c4ccc(cc4)C)=O	2487
+c1cc(ccc1C)CC(C(OCC)=O)OCC	10915
+c1cc(ccc1CC(CO)OCC)C	44
+c1cc(ccc1CC(C)(C)N)C	2886
+c1cc(ccc1CC2(CCCN(C(=O)C)C2)C=O)C	24
+c1cc(ccc1C)CC2=Nn3c(C(N2)=O)c(C)nc3C(C(C)O)CCCCC	5064
+c1cc(ccc1S(=O)(=O)OCCCc2ccc(cc2)C)C	36
+c1cc(ccc1CCOS(=O)(=O)c2ccc(cc2)C)C	36
+c1cc(ccc1C)CC2=NC(c3c(C)nc(C(CCCCC)C(=O)C)n3N2)=O	3164
+c1cc(ccc1C)Cc2nc(c(C(N)C)nn2)O	524
+c1cc(ccc1NC(=O)NC2(c3c(cccc3)N(C2=O)CC(OCC)OCC)CC(=O)Nc4ccc(cc4)C)C	33
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2)C)F	69
+c1cc(ccc1C)N(N)CCc2cnc(Cl)cc2	1651
+c1cc(ccc1C)NS(=O)(=O)Nc2c(-c3ccc(cc3)C)c(Cl)ncn2	570
+c1cc(ccc1Oc2ccc(cc2)C)C=O	46
+c1cc(ccc1Oc2ccc(cc2)C)[N+]([O-])=O	46
+c1cc(ccc1C)OCCNCC	15
+c1cc(ccc1Oc2c(cc(cc2)C)CO)C	49
+c1cc(ccc1Sc2nc(ncc2)Cl)C	1124
+O=S(=O)(Nc1c(C(=O)OC)cc(cc1)Oc2cc(C)c(cc2)NS(=O)(=O)c3ccc(cc3)C)c4ccc(cc4)C	69
+c1cc(ccc1N(C)C)C=Cc2ccc(OCCOCCOCCOS(=O)(=O)c3ccc(cc3)C)nc2	36
+c1cc(ccc1NC(=O)C)CCCCOS(=O)(=O)c2ccc(cc2)C	36
+O=S(=O)(c1ccc(cc1)C)OCCc2ccc(cc2)-c3cc4c(CN(CC4)C(=O)COC(C)=O)cc3	36
+c1cc(ccc1CCOS(=O)(=O)c2ccc(cc2)C)Br	36
+c1cc(ccc1C)S(=O)(=O)OCCc2ccc(cc2)F	36
+c1cc(ccc1[N+]([O-])=O)CCOS(=O)(=O)c2ccc(cc2)C	36
+c1cc(ccc1CNc2oc(-c3cc4c(cc3)n(S(=O)(=O)c5ccc(cc5)C)cc4I)nn2)OC	367
+c1cc(ccc1S(=O)(=O)NCC(CC(=O)Nc2ccccc2)c3ccc(cc3)Cl)C	71
+c1cc(ccc1S(=O)(=O)N2C(c3ccc(cc3)F)CCC2C(OC)=O)C	1387
+c1cc(ccc1C)S(=O)(=O)Nc2c(NC(=O)Nc3ccc(cc3)F)cccc2	69
+c1cc(ccc1C)S(=O)(=O)OCCOc2cc3nc(cnc3cc2)-c4ccc(cc4)N(C)C	36
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2)F)C	69
+c1cc(ccc1Nc2nc(-c3ccccc3)c(cn2)C#N)OCCOS(=O)(=O)c4ccc(cc4)C	36
+c1cc(ccc1O)CCOS(=O)(=O)c2ccc(cc2)C	36
+c1cc(ccc1OC)CCCCOS(=O)(=O)c2ccc(cc2)C	36
+c1cc(ccc1OC)Cn2nc3c(c2)-c4c(CCN3CCOS(=O)(=O)c5ccc(cc5)C)sc(Nc6ncc(cn6)F)n4	36
+c1cc(ccc1C)S(=O)(=O)OCCCOc2ccc(cc2)-c3cn4cc(ccc4n3)Br	36
+c1cc(ccc1C)S(=O)(=O)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	36
+c1cc(ccc1S(=O)(=O)OCC2CCc3c(C2)ccc(C4CC5(COC(=O)N5)CC4)c3)C	36
+c1cc(ccc1S(=O)(=O)OCC2CCc3ccc4c(NC(=O)N4)c3O2)C	36
+O=S(=O)(c1ccc(cc1)C)n2cccc2	917
+O=S(=O)(c1ccc(cc1)C)OC(C)CCOc2cc(ccc2)CC(=O)OC	36
+c1cc(ccc1S(=O)(=O)OCCC2c3c(CCC=4CC=CCC2=4)cccc3)C	36
+c1cc(ccc1C)S(=O)(=O)OCC(N2C(c3c(cccc3)C2=O)=O)C	36
+O=S(=O)(OCC1Oc2c(cccc2)OC1)c3ccc(cc3)C	36
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCOCCOS(=O)(=O)c4ccc(cc4)C	36
+c1cc(ccc1C)S(=O)(=O)OCC2C(NC(Cc3ccccc3)=O)C(N2Cc4c(OC)cc(cc4)OC)=O	36
+c1ccccc1CCOCCOS(=O)(=O)c2ccc(cc2)C	36
+c1ccccc1CNC2C(C)CC(COS(=O)(=O)c3ccc(cc3)C)CC2	36
+c1cc(ccc1)COC(=O)N2CCC(NC(OCc3ccccc3)=O)C2COS(=O)(=O)c4ccc(cc4)C	36
+c1cc(ccc1S(=O)(=O)NCC2=CC(C(=CO2)OCc3ccccc3)=O)C	2422
+c1cc(ccc1C)S(=O)(=O)OCC(COCc2ccccc2)CC	36
+c1cc(ccc1S(=O)(=O)OCC2CC=CCC2COCc3ccccc3)C	36
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCCOCCOCCOCc2ccccc2)C	36
+O=S(=O)(c1ccc(cc1)C)OCC(Cc2c(OCc3ccccc3)c4CCCc4cc2Cl)O	36
+O=S(=O)(c1ccc(cc1)C)OC(C)CCOc2ccccc2	36
+c1cc(ccc1S(=O)(=O)OCCC2CC2C3CCN(CC3)c4ncc(cn4)Cl)C	36
+O=S(=O)(c1ccc(cc1)C)OC(Cc2nc3c4c(c(ccc4)OC)nc(n3n2)NCc5ccc(OC)cc5OC)C	36
+c1cc(ccc1C)S(=O)(=O)OCC2OC(c3cc(Cc4sc(cn4)-c5occc5)c(cc3)Cl)C(O)C(O)C2O	36
+c1cc(ccc1S(=O)(=O)n2ncc3c(cc(Br)cc23)C#N)C	3123
+O=S(=O)(c1ccc(cc1)C)OC(CC=Cc2cncc(OC)c2)C	36
+O=S(=O)(c1ccc(cc1)C)OCCn2cc(cn2)I	36
+O=S(=O)(c1ccc(cc1)C)OCCn2ccnn2	36
+c1(cccc(-c2ccnc3n2ncc3C(=O)c4occc4)c1)NCC	2252
+c1cc(ccn1)CN2CC(C)(C)C(NC(=O)CC3N(S(=O)(=O)c4ccc(cc4)C)C=CNC3=O)CC2	48
+c1cc(ccc1-c2cc3NCC(C)N(C(C)=O)c3cn2)S(=O)(=O)C	2252
+n1ccn(c1)-c2ccc3OCCNCCOc3c2	2721
+c1cc(ccc1C)S(=O)(=O)N2CCOc3cc(ccc3OCC2)N	0
+c1cc(ccc1C)S(=O)(=O)N2CCc3c(C2)cc(C(O)=O)s3	6
+c1cc(ccc1C)S(=O)(=O)NCCc2ccccc2O	5
+c1cc(ccc1C)S(=O)(=O)Nc2c(C(OC)=O)cc(cc2)Oc3ccc(N)c(NCCCC)c3	0
+c1cc(ccc1C)S(=O)(=O)Nc2c(C(OC)=O)cc(Oc3cc(C)c(cc3)N)cc2	0
+c1cc(ccc1C)S(=O)(=O)Nc2ccc(cc2C(OC)=O)Oc3cc(c(N)cc3)OCCC	0
+c1cc(ccc1C)S(=O)(=O)OCC(CC)CO	118
+O=C1c2c(cccc2)C(=O)N1C(COc3c4c(cncc4)ccc3)C	267
+O=S(=O)(CC)NC1C(CCCC1)CSc2ccc(cc2)C(C)C	3138
+c1cc(ccc1S(=O)(=O)OCC2CCc3c(O2)c(cc(F)c3)Br)C	374
+c1cc(ccc1CC(C)(C(OCC)=O)OC)OCCC2=CN(Cc3ccc(cc3)C)C(N2CCC)=O	450
+c1cc(ccc1OC)CN2C(CN(Cc3cc(C)c(C)cc3)C2=O)CCOc4ccc(cc4)OC(C)(C)C(OCC)=O	267
+c12c(cccc1)C(=O)N(C2=O)CCCCC=C	2140
+c1cc(ccc1C(OCC)=O)OCCCCCC(OC)C	267
+c1cc2CCN(Cc2cc1)CCCCOc3cccc(Cl)n3	236
+c1cc(ccc1OCCC[Si](C)(C)CCCC)O	450
+C1CN(CCN1CCCc2c[nH]c3c2cc(OC)cc3)c4ccc(cc4)N5C(=O)c6ccccc6C=C5	236
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(nc4)c(C)c(-c6ccc(cc6)OCCCl)cc5	267
+c1cc(ccc1Cc2c(ccc(C3C(O)C(O)C(O)C(CO)O3)c2)Cl)OCCOCCF	450
+c1cc(ccc1CCSc2c(cccc2)N)C#N	3138
+c1cc(ccc1C)S(=O)(=O)OCCC2=CN(C(=O)N2CCC)Cc3ccc(cc3)C	1312
+c1cc(ccc1S(=O)(=O)OCc2ccc(cc2)OC(=O)C(C)=C)C	1312
+c1cc(ccc1C)S(=O)(=O)OCCC2N(C(N(Cc3cc(C)c(C)cc3)C2)=O)Cc4ccc(cc4)OC	1312
+C1C(CC1COS(=O)(=O)c2ccc(cc2)C)c3n4ccnc(N)c4c(-c5cc(OCc6ccccc6)ccc5)n3	1312
+C1CCCCN1CCOc2cc(ccc2Br)O	4963
+C1CC(CCN1Cc2c3c([nH]c(-c4c5c(cc(c(OC)c5)OC)n(c4)C)c3)ncc2)O	392
+c1cnc2[nH]c(-c3c4nc(OC)c(cc4n(C)c3)OC)cc2c1CNCCc5n(cnc5)C	392
+CC(C)c1c2c(ncc(c2)Br)[nH]c1	392
+c1cc(ccc1C)S(=O)(=O)n2c3c(cc2)c(ccc3)CN	817
+Clc1cnc2[nH]cc(-c3nc(c(cn3)F)NC4CN(CC(COC)O)CCC4)c2c1	392
+C1CC2(CCN1c3nc(OC)cc(n3)C)C(=O)N(Cc4c5c([nH]c4)cccc5)CCC2	5010
+O=S(=O)(n1ncc(c1)C=O)c2ccc(cc2)C	576
+C1(CNc2c(F)cnc(-c3c[nH]c4ncc(cc34)Cl)n2)CCCCC1N	392
+C1C(CC1)(C)C(CC(=O)OC)Nc2nc(ncc2F)-c3c[nH]c4ncc(cc34)F	392
+c1cc(ccc1C)S(=O)(=O)n2cc(CO)cn2	536
+O=S(=O)(c1ccc(cc1)C)n2c3c(cc2)n4c(cn3)nnc4C5C(CC)CC(C5)NC(C)=O	10916
+c1cc(ccc1C2(CN(Cc3ccccc3)CC2)C)N	15
+c1cc(ccc1C2(C(=O)NC(NC2=O)=O)N3CCN(CC3)c4ccc(cc4)N5C(=O)CCC5=O)-c6ccccc6	10917
+c1cc(ccc1C2(C(c3ccc(cc3OC2)OCOC)c4cccc(O)c4)C)OCOC	4250
+c1cc(ccc1OCc2cc3c(Br)csc3cc2)C4(CC(C4)=O)CC(OCC)=O	20
+c1cc(ccc1-c2csc(n2)N)C3(CC3)C(=O)O	4
+c1cc(ccc1C2(c3ccc(cc3)-c4noc(CO)n4)CC5CC2CC5)OCc6ncccc6	59
+C1CC(CCC1=O)(c2ccc(cc2)F)C#N	10918
+c1cc(ccc1CCNC(=O)C2(CCC2)c3ccc(cc3)Cl)OC	9
+c1cc(ccc1Cl)C2(CCC2)CN3CC(CCCC3)CO	15
+c1cc(ccc1N)C2(CCC2)c3ncco3	0
+c1cc(ccc1C2=CCC3(OCCO3)CC2)F	252
+C1CC(CCO1)(c2ccc(cc2)OCCCN3CCCC3)CO	95
+C1COCCC1(c2ccc(cc2)N)C(OC)=O	0
+C1CC(CCO1)(CCNCc2ccccc2)c3ccc(cc3)F	42
+c1cc(ccc1-c2c(Cl)cc3[nH]cc(C(OC)=O)c3c2)C4(COC4)CO	118
+c1cc(ccc1I)C(C=O)C	10919
+c1cc(ccc1C2(OCC(C)(C)CO2)CSCC(=O)N3C(c4ccccc4)COC3=O)C	2912
+c1cc(ccc1C2(OCC(C)(C)CO2)CSCC(=O)O)C	3
+c1cc(ccc1CC=C(C)C)C(C)=O	1367
+C1COC(O1)(C)c2ccc3noc(-c4ccccc4)c3c2	10920
+c1(cc(cc(Cl)c1OCCCC(=O)c2ccc(cc2)F)OCC=C(Cl)Cl)Cl	1367
+O1CCOC1(c2ccc(cc2)Cl)c3ccc4nc(cc(c4c3)-c5cccc(OC)c5)O	10921
+c1cc(ccc1C(O)=O)C2(SC(=NC(c3ccc(cc3)F)C)NC2=O)C	1
+c1cc(ccc1C2(c3ccc(cc3)F)CCCN(C2=O)CC(=O)O)F	3
+c1cc(ccc1C#N)C2(c3ccc(cc3)OCc4ncccc4)CC5CC2CC5	274
+c1cc(ccc1C=2CCCCC=2C)C(N3Cc4cccn4Cc5ccccc35)=O	610
+c1cc(ccc1-c2c(-c3ccncc3)c(O)nnc2)Cl	10922
+c1cc(ccc1C=2C(=O)N3C=Cc4c(ncn4C)C3=C(C(=O)O)C=2)OCc5ccccc5	127
+c1cc(ccc1C2=CC(=C3c4sccc4C=CN3C2=O)C(O)=O)OCc5ccccc5	127
+c1cc(ccc1F)C2CCC3(CC2)OCCO3	191
+c1cc(ccc1C2CCC3(CC2)OCCO3)OC	191
+c1cc(ccc1C=2NC(=O)ON=2)N	10923
+c1cc(ccc1-c2nnc(O)cc2)CCOC(=O)C	2566
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(O)=O)N	1
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(O)=O)NC(C(C)C)=O	1
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(=O)OC)N	0
+c1cc(ccc1N2C(=O)C=CC=N2)C3C(CN(C)C)C3	10924
+c1cc(ccc1C2C(c3c4c(c(O)nn3)cccc4N2)c5ccc(cc5)F)C=O	10925
+c1cc(ccc1C2Oc3ccc(O)cc3C(C)=C2c4ccc(Cl)c(F)c4)OCC(N5CCC(CF)C5)C	805
+C1CN(CCC12C(c3ccc(cc3)F)C(=O)NC2)Cc4ccccc4	1781
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)NS(=O)(=O)c4ccc(cc4)C(C)C	69
+c1cc(ccc1C(C)C)S(=O)(=O)Nc2ccc(cc2)C3CC4CN(CC34)CCC	15
+c1cc(ccc1Cl)C2CCCC(C2)C=O	1143
+C1C(=O)N(C(CC1c2ccc(cc2)N)=O)C	0
+c1cc(ccc1C2CC(=O)N(C2C(OCC)=O)C)N	0
+CC1(C)CC(c2ccc(cc2)Cl)c3c(cc(O)cc3)C1=O	5
+c1cc(ccc1CC(F)F)C2CC(C(O)=O)CN(C2)C(C)=O	4
+c1cc(ccc1C2CC(c3onc(CCOC)n3)CN(C(=O)Oc4ccc(cc4)[N+](=O)[O-])C2)CC(F)F	66
+c1cc(ccc1C2CC(NC(c3cc(c(cc3)F)OC)C)CC2)CC(O)=O	3
+c1cc(ccc1C2CC2C(=O)NCCCCCCCCCC)N	0
+c1cc(ccc1C(=O)O)C2CCC(=O)NC2	6
+c1cc(ccc1O)C2CCC(CC2)CC(=O)OCC	774
+c1cc(ccc1C2CCC(CC2)C(=O)O)NC(c3cc(Cl)c(Cl)cc3)=O	887
+c1cc(ccc1C2CCC(c3ccc(cc3)[N+]([O-])=O)N2c4ccc(cc4)-c5cnc(cc5)N6CCOCC6)N	0
+c1cc(ccc1C2CCC(c3ccc(cc3)N)N2c4ccc(cc4)-c5ccc(N6CCOCC6)nc5)N	0
+C1CC(CCC1c2ccc(cc2)OC)=O	97
+c1cc(ccc1C)C2N(c3nc(cc(n3)C(OC)=O)Nc4sc(C#N)cn4)CCC2	117
+C1CC(CCN1CC2CNCC2C3CC3)c4ccc(cc4)F	1569
+c1cc(ccc1)CN2CCC(c3ccc(cc3)F)C(C2)O	131
+C1CS(CCN1C(N2CC(c3ccc(cc3)OC(F)F)CC(C(O)=O)C2)=O)(=O)=O	4
+c1cc(ccc1C2CC(=O)N(C2)CC(O)=O)Cl	3
+c1cc(ccc1C)C(Cn2c3c(cccc3)c4CN(CCc24)C)O	2695
+c1cc(ccc1Cl)C2C(O)CCOC2	100
+c1cc(ccc1S(=O)(=O)n2nc(c(c2C)CCN3CCCC3c4ccc(cc4)C=CC(=O)OC)C)C	123
+c1cc(ccc1-c2nc(C)on2)C3OCCN(C3)C4=NC(c5ccncn5)=CC(=O)N4C	2803
+c1cc(ccc1F)C2CC(O)Cc3sc(Nc4cc(c(-n5cc(nc5)Cl)cc4)OC)nc23	100
+c1cc(ccc1C2CCCN3CCS(=O)(=O)N=C23)Oc4c(C)cccc4	2293
+O=S1(=O)CCN2CCCC(c3ccc(cc3)Oc4ccc(F)c(C)c4)C2=N1	2293
+c1cc(ccc1Oc2ccc(C)c(C)c2)C3CCCN4CCS(=O)(=O)N=C34	2293
+c1cc(ccc1CN)C=2C=CC(N(N=2)Cc3cc(NC(OCC)=O)ccc3)=O	107
+c1cc(ccc1Cl)-c2cc(ncc2)O	10926
+c1cc(ccc1-c2cc(O)nnc2)F	10927
+c1cc(ccc1Br)Oc2c(sc3cc(ccc23)OC)-c4ccc(cc4)OC	10928
+c1cc(ccc1[N+]([O-])=O)C2C(=C(NC(CCC)=C2C(OCc3ccccc3)=O)CCC)C(=O)OCCC#N	10929
+c1cc(ccc1C2C(C(c3ccccc23)=O)C(OCC)=O)O	10930
+c1cc(ccc1C=C(CO)C)C	10931
+c1cc(ccc1CCc2n3cncc3ccc2)C=C(C)C(O)=O	108
+c1cc(ccc1C(=O)O)CC(C)=O	4964
+CC(C)(c1ccc(cc1)C=C(CO)C)CC	2874
+C1CN(CCN1C(=O)C)c2ccc(cc2)C=Cc3cc(cc(-c4ccncc4)c3)Cl	722
+c1cc(ccc1C=Cc2cc(F)cc(-c3ccncc3)c2)N4CCN(CC4)C(=O)C	722
+c1cc(ccc1CC2SC(NC2=O)=O)OCCN(c3nc4ccccc4s3)C	534
+c1cc(ccc1-c2cc(ccc2)C(=O)O)C=C3SC(=O)NC3=O	6
+c1cc(ccc1CC2SC(NC2=O)=O)OCCc3ccc(cc3)C#N	534
+c1ccccc1CCSc2ccc(cc2)CC3SC(=O)NC3=O	534
+c1cc(ccc1COCC(=O)O)C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5	3
+c1cc(ccc1-c2cccc(c2)N(C(NCCCCCCC)=O)CC)CCC(=O)O	159
+c1cc(ccc1C=CC(=O)O)-c2cc(ccc2)N(C(NCCCCCCC)=O)CC	127
+c1cc(ccc1CCC(=O)OC)C	159
+c1cc(ccc1CCC(=O)OC)C(=O)O	159
+c1cc(ccc1CNc2ccc(cc2)C=CC(=O)OCC)C#CCCCCCCCC	208
+c1cc(ccc1CCC(c2cc(Cl)ccc2)=O)Cl	2301
+c1cc(ccc1Cl)CCC(=O)C(C)(C)C(C)C	1847
+c1cc(ccc1C=CC(C(CC=Cc2ccccc2C)(CCC(O)=O)c3ccccc3)=O)Cl	4
+c1cc(ccc1C#Cc2ncc(cc2F)-c3ccc(cc3)Cl)C=CCN4CCC(CC4)(C)O	129
+c1cc(ccc1F)CCc2ccc(F)cc2C#N	1442
+c1cc(ccc1C=Cc2cc(OCC(CCCC)CC)c(N)cc2OCC(CCCC)CC)C#N	0
+c1cc(ccc1C=Cc2cc(ccc2)-n3c(c(c(CC)n3)C(=O)O)CC)Cl	1
+c1cc(ccc1CCc2cc(F)cc(-c3ccncc3)c2)N4CCN(CC4)C(=O)C	1442
+c1(cc2c(ccc3ccc(OC)cc23)cc1)Br	5086
+c1(cc2c(ccc3c2cc(Cl)cc3)cc1)Br	5086
+C1CN(CCC1c2c[nH]c3c(C(=O)N)cc(-c4ccc(cc4)CNOC)cc23)S(=O)(=O)CC	1059
+c1cc(ccc1CNOC)F	1059
+c1cc(ccc1-c2cc(cc(c2)-c3ccccc3)C(NC)=O)C=O	11
+c1cc(ccc1-c2ccc(OCc3ccccc3)c(CN(C)C(CCCCCCC)=O)c2)C=O	11
+c1cc(ccc1C=O)-c2cc(ccn2)-c3n4c(nc3-c5nc(C)ccc5)ccc(c4)Cl	119
+c1cc(ccc1C=CC(=O)OC)C	10932
+c1cc(ccc1C#Cc2ccc(cc2)C(=O)OCC)C=O	129
+CC(C)C(C(=O)OC)C(=O)Nc1ccc(cc1)C#Cc2ccc(cc2)C=O	129
+c1cc(ccc1C#N)CN(Cc2ccc(cc2)C#N)CCCCN(CCC)CCC	48
+c1cc(ccc1C#N)-c2nc3c(cccc3)[nH]2	622
+C1CCCC1CC(=O)c2ccc(cc2)CO	41
+c1cc(ccc1C(=O)O)C=NNc2c3cnn(-c4ccccn4)c3ncn2	878
+c1cc(ccc1C(OC)=O)CN(CCOc2ccc(cc2)Cc3ccc(cc3)-c4occn4)CCN5CCOCC5	48
+c1cc(ccc1-c2nc3c(cccc3)[nH]2)C(OC)=O	622
+c1cc(ccc1C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5)CO	41
+c1cc(ccc1CO)C=O	41
+c1ccccc1-c2c(CC)sc(C(C=Cc3ccc(cc3)C=O)=O)c2	307
+c1cc(ccc1C=Cc2nc(N)nc(N)n2)C=O	10933
+c1cc(ccc1C=O)CCOC(=O)c2ccccc2	279
+c1cc(ccc1C=C)Cc2cc(ccc2Cl)Br	443
+c1cc(ccc1F)C=Nc2ccc(cc2)S(=O)C	457
+c1cc(ccc1Oc2ccc(cc2)C=O)-c3occn3	46
+c1cc(ccc1Oc2ccc(cc2)C=O)C#N	46
+c1cc(ccc1C(=O)OC)Oc2ccc(cc2)C=O	46
+c1cc(ccc1OC)-c2cc(Oc3ccc(cc3)C=O)ccc2	46
+c1cc(ccc1F)-c2ocnc2	2288
+c1cc(ccc1Oc2cccc(OCC=C)c2)C=O	46
+c1cc(ccc1C=O)OCCN(c2nc3ccccc3s2)C	57
+c1cc(ccc1Oc2c(c(CCCCC)cc3cc(OC)ccc23)-c4ccccc4)C=O	46
+c1ccccc1C(c2ccccc2)C3OCCC(NCc4ccc(cc4)F)C3	42
+c1cc(ccc1C=CCCCCCCCC(=O)O)F	5011
+c1cc(ccc1OCCN(c2ncccn2)C)C=O	57
+c1ncncc1Oc2ccc(cc2)C=O	3029
+c1cc(ccc1C2C(c3ccc(OC4CCCCO4)cc3OC2c5ccc(cc5)I)=O)F	10934
+c1cc(ccc1Oc2ncc(cc2)C(N)=O)C=O	136
+c1cc(ccc1C=CC=2N(C(=O)c3c(cccc3)N=2)c4ccc(cc4C)C#Cc5ccccc5)O	2066
+c1cc(ccc1C=C(C(c2ccccc2)=O)C(OCC)=O)O	10935
+c1cc(ccc1OCc2cscc2)C=O	20
+c1cc(ccc1CO)OC(C)C(=O)OC	41
+c1cc(ccc1OCC)CO	41
+c1cc(ccc1CO)OCCF	41
+c1cc(ccc1OCCOC)CO	41
+c1c(Cl)c(c(cc1C)Cl)OCCOc2ccc(cc2)CO	41
+c1cc(ccc1CCOc2ccc(cc2)C=O)O	173
+c1ccccc1-c2c(C)cc3cc(ccc3c2Oc4ccc(cc4)O)OC	1437
+C1CC(CCN1Cc2ccc(cc2)Oc3cc(c(cc3F)F)F)c4c(C)ccc(NC(=O)OCc5ccccc5)c4	48
+C1CC(CCN1C(C)=O)c2nc(Nc3ncc(Oc4ccc(cc4)CO)cc3Sc5ccccc5Cl)sn2	41
+c1cc(ccc1S)C=O	5087
+c1cc(ccc1Sc2c(Br)cccc2)CO	41
+c1cc(ccc1CN2c3c(C(N(Cc4ccc(cc4)C(OC)=O)C2=O)=O)cccc3)C	1939
+c1cc(ccc1CN2C(=O)N(CCC)C(C(OCc3ccccc3)C)=N2)C	1712
+c1cc(ccc1S(=O)(=O)N(C2CCCC(C)C2)Cc3ccc(cc3)C(OC)=O)Cl	692
+C1CC1CN2CCC34C5(C2Cc6c3c(OC4C(OCc7ccc(cc7)OC)CC5)c(cc6)OCc8ccccc8)O	149
+c1cc(ccc1CC2CCN(c3sc(c(C)n3)C(NCc4ccccc4)=O)C2=O)OC(F)F	1554
+c1cc(ccc1)S(=O)(=O)NC(=O)c2cc(c(NC(C)=O)cc2)NCc3ccc(cc3)OCc4ccccc4	608
+c1cc(ccc1-n2cnc3c2c4c(nc3)ccc(-c5ccc6OCOc6c5)c4)CCN	51
+c1cc(ccc1C2=CN(Cc3ccc(cc3)Cl)C(C=C2)=O)CC#N	2243
+c1cc(ccc1Nc2ncc(cc2)C(=O)N)CC#N	201
+c1cc(ccc1C=O)CC(=C(C(=O)OC)C(C)C)C(OC)=O	39
+c1cc(ccc1CC(C(OCC)=O)CP(=O)(O)C(C)NC(=O)OCc2ccccc2)Br	10936
+CN(C)CCNC(=O)Cc1ccc(cc1)N	890
+c1cc(ccc1Cc2oc(nn2)-c3c(c4C(=O)N(C)CCn4c3)OC)F	10937
+c1cc(ccc1CCCCO)CC(OC)=O	213
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)O	5
+c1cc(ccc1Oc2cc(ccc2)N)CC(=O)OC	0
+c1cc(ccc1C(=N)N)CC(C(=O)NC(C(OC)=O)C2CCCCC2)C(=O)NCc3ccccc3	3814
+c1ccccc1C(Cc2ccc(cc2)Cl)C(O)=O	4
+c1cc(ccc1-c2ccccc2C#N)CC3=C(n4c(N(C(C)COC)C3=O)nc(C)n4)CCC	3241
+c1cc(ccc1CC(C(O)=O)Cl)OCC2(CCc3c(C)c(OC(C)=O)c(c(C)c3O2)C)C	3
+c1cc(ccc1CC(C(O)C)c2cc(Br)ccc2)Cl	100
+c1cc(ccc1OCCc2ccc(cc2)COC)CC(CC)C(OC)=O	20
+c1ccccc1CC2(CCCC2)C(NC(C(OC)=O)Cc3ccc(cc3)N)=O	0
+c1cc(ccc1N)CC(C(OC)=O)NC(c2c(Cl)cccc2C)=S	0
+c1cc(ccc1N2CCN(CC2)C)CC(C)C(=O)OCC	2283
+c1cc(ccc1CCC(=O)C)[N+]([O-])=O	1965
+c1cc(ccc1OCCC2=CN(Cc3ccc(cc3)C)C(N2CCC)=O)CC(C(O)=O)(C)OC	3
+CC(C)(CN1CCCC(CNC(=O)Nc2cc(-c3n(nnn3)C)ccc2)C1)Cc4ccc(cc4)F	15
+c1cc(ccc1CC(CCC2(CC2)CC(OCC)=O)C=Cc3c(cccc3)OCCCCCc4ccccc4)C(=O)OC	8
+c1cc(ccc1F)-c2cnc3ncc(Cc4ccc(cc4)OC)n3c2	2583
+c1cc(ccc1CC(NC(=O)CCCCCCc2ccccc2)CCC#N)OCc3ccccc3	143
+c1cc(ccc1F)CC(CCC2CCC(=O)N2)O	100
+c1cc(ccc1C(OC)=O)CC(C=O)CCCCC#N	24
+C1CCCCN1C(CN2C3=NC(c4oc(Cc5ccc(cc5)F)cn4)=C(OCc6ccccc6)C(=O)N3C=C2)=O	10938
+c1cc(ccc1C2CC(CNC2)c3onc(CCOC)n3)CC(F)F	526
+c1cc(ccc1CC(N2CCOC(c3cccc(n3)Cl)C2)C)OCCO	15
+C1CCCC1(C(NC(Cc2ccc(cc2)N)C(=O)OC)=S)CCCCS(=O)(=O)C	0
+c1cc(ccc1N)CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O	0
+c1cc(ccc1CC(C(OC)=O)NC(c2c(Cl)cccc2C)=S)[N+]([O-])=O	581
+c1cc(ccc1C)CC(=O)Nc2c(ccc(-c3c(cccc3)-c4nnn[nH]4)c2)-n5nccc5	33
+c1cc(ccc1OC)-c2cnc(-c3cc(ccc3)C(NNC(Cc4ccc(cc4)C(OC)=O)=O)=O)o2	708
+c1cc(ccc1NS(=O)(=O)C)-c2nnc(NNC(Cc3ccc(cc3)Cl)=O)cc2	355
+c1cc(ccc1Br)CC(OCc2ccccc2)C(=O)OC	1907
+c1cc(ccc1CC(OC)=O)CC(N)c2cccnc2	10939
+c1cc(ccc1CCc2nc(NC(=O)C)sc2)CCO	95
+c1cc(ccc1OCCCOc2ccc(cc2)CC(OC)C(=O)OCC)OCC(F)(F)C(F)F	8
+c1cc(ccc1C2=C(c3cnccc3)COC2=O)OCc4ccc5ccccc5n4	10940
+c1cc(ccc1-c2c(C)cc(cc2)-c3onc(C)c3NC(OC(c4c(F)cccc4)C)=O)CC(=O)O	3
+c1cc(ccc1N2CCOCC2=O)CC(OCC)=O	1525
+c1cc(ccc1F)S(=O)(=O)NC(Cn2cncc2)C(=O)Nc3ccc(cc3)CC(O)=O	3
+c1cc(ccc1OCC(=O)N(Cc2c(cc(F)cc2)F)Cc3ccc(cc3)CC)CC(OCC)C(OCC)=O	10
+c1cc(ccc1OCC(=O)c2cccc(OC)c2)CC(C(O)=O)OCC	3
+c1ccccc1OC(Cc2ccc(cc2)OCCO)C(OCC)=O	168
+c1cc(ccc1CC(c2ncc(CC(C)(C)CC)n2C)NC)-c3ccc(F)cn3	62
+c1cc(ccc1CNCc2ccc(F)cc2F)CC	162
+c1cc(ccc1C2CN(C(=O)N3CCC(CC3)O)CC(C2)C(O)=O)CC	3
+c1cc(ccc1CC)C2CN(C(=O)Oc3ccc(cc3)[N+]([O-])=O)CC(C2)C(=O)OC	66
+c1cc(ccc1CC)Cc2cc(Br)c(O)cc2Cl	5
+c1cc(ccc1CC)Cc2c(cccc2)O	5
+c1cc(ccc1C)CC2(CCCN(C(=O)C)C2)CC=O	3828
+c1cc(ccc1CC2(CCN(CC2)C(=O)C3CN(c4cc(c(C(C)=O)cc4O3)Cl)Cc5ccccc5)C#N)F	155
+c1cc(ccc1CC2(CCN(CC2)C(=O)C3CNc4cc(Cl)c(cc4O3)C(C)=O)C#N)F	10941
+c1cc(ccc1)CCNC(CCc2ccc(cc2)CC3=C(C)C(=O)C(OC)=C(C3=O)OC)=O	9
+c1cc(ccc1CC=2C(N(c3cccc(c3)C(C)O)C(=NC=2CCCC)C)=O)-c4ccccc4C#N	74
+C1CC(CCC1N2C(C(=C(n3c2ncn3)CCC)Cc4ccc(cc4)-c5ccccc5C#N)=O)=CCO	4283
+C1CC(CCC1Cc2ccc(cc2)F)=O	97
+c1cc(ccc1Cl)CC2N(CC3CC3)CCC2	15
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN	18
+c1cc(ccc1CC=2C(N(C3CCC(CC3)C(=O)O)c4n(ncn4)C=2CCC)=O)-c5ccccc5C#N	3
+c1cc(ccc1CC=2C(N(C3CCC(CC3)OCC(O)C=C)c4n(ncn4)C=2CCC)=O)-c5ccccc5C#N	4796
+c1cc(ccc1Cl)CC=2c3c(C(N(N=2)CC4CCCN4CCN)=O)cccc3	45
+c1cc(ccc1CC=C(C)C)C(C)O	74
+c1ccccc1C(c2ccccc2)(C(N)=O)C3CN(CCc4ccc(cc4)C(=O)N)CC3	28
+c1cc(ccc1[N+]([O-])=O)CCNCCc2ccc(cc2)[N+]([O-])=O	132
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4ccc(cc4)[N+]([O-])=O)O	28
+c1cc(ccc1CCC#Cc2ccc(cc2)OC)CC(OC)=O	121
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)OC	213
+c1cc(ccc1-c2c3c(nc(O)c4sccc34)ccc2O)CCC#N	5
+c1cc(ccc1CCCCCCCCC(O)=O)OC	1571
+c1cc(ccc1[N+]([O-])=O)CCCN	15
+c1cc(ccc1CCC(N)=S)[N+]([O-])=O	199
+c1cc(ccc1C)CCCO	21
+c1cc(ccc1CC2=C(C)C(=O)C(OC)=C(C2=O)OC)CCC(=O)O	1450
+c1cc(ccc1CCC(=O)O)C	4
+c1cc(ccc1CCC(OC)=O)OCc2ccc(cc2)CCl	657
+c1cc(ccc1CCC(=O)O)Cc2c(c(c(OC)c(c2C)OC)OC)OC	3
+c1cc(ccc1CCC(C(NO)=O)(S(=O)(=O)C)C)Oc2ccccc2	792
+c1cc(ccc1C(=O)OC)CCC(C(=O)O)CCC2(CC2)CC(OCC)=O	2819
+c1cc(ccc1-n2cccn2)CCC(S(=O)(=O)C)(C(=O)O)C	3
+c1cc(ccc1CCC(C(OCC)=O)(C)S(=O)(=O)C)-n2cccn2	1158
+O=S(=O)(C(C(=O)O)(CCc1ccc(cc1)Br)C)C	3
+c1cc(ccc1Br)CCC(Cn2cncc2)=O	5088
+c1cc(ccc1C#N)CCC(CCCCC(OCC)=O)CO	21
+c1cc(ccc1C#N)CCC(CCCCC(OCC)=O)C=Cc2c(O)cccc2	3170
+c1cc(ccc1CCC(N(CCC)Cc2ccc(F)cc2F)=O)OCc3ccccc3C(=O)O	1
+c1cc(ccc1CCC(NC=2NCCCN=2)=O)C(=O)NCC(N)C(O)=O	1388
+c1cc(ccc1Br)CCCNCC(c2cccnc2)O	15
+c1cc(ccc1CCC2NCCc3c2c(cc(c3)OC)OC)F	10942
+c1cc(ccc1CCCO)CCc2nc(NC(=O)C)sc2	95
+c1cc(ccc1CCC(=O)O)OCc2cc(Oc3cc(ccc3)C)ccc2	4
+c1cc(ccc1C#N)CCCO	44
+c1cc(ccc1CCC)-c2nc(-c3cc(I)c(cc3Cl)O)no2	1206
+c1cc(ccc1CCCO)-c2c(F)c(c(cc2)OCC)F	237
+c1ccc2C(=O)N(C(=O)c2c1)CCCc3ccc(cc3)CCc4nc(NC(=O)C)sc4	966
+c1cc(ccc1CCCn2cncn2)[N+]([O-])=O	10943
+c12C(CCCc1ccc(SC)c2)=O	3090
+c1cc(ccc1CCCC=C)C#N	2142
+c1cc(ccc1-c2oc(nn2)-c3ccccc3SCC)CCCCC	1782
+c1cc(ccc1-c2ccc(cc2)CCCCCCCC)[N+](=O)[O-]	134
+c1cc(ccc1CCO)CCCCCCCC	59
+c1cc(ccc1O)CCCCCCCCC(O)=O	5
+c1cc(ccc1CCCCCCCCCCCCCCCCCC)S(=O)(=O)Nc2nncs2	1140
+c1cc(ccc1CCCCN2C(CCC2)CN3C(=O)c4c(C(Cc5ccc(cc5)Cl)=N3)cccc4)O	5
+c1cc(ccc1CC(OC)=O)CCCC=O	24
+c1cc(ccc1OCC2OC(C)(C)OC2)CCCC=O	24
+c1cc(ccc1CCCCn2ccnn2)N	0
+c1cc(ccc1CCCn2c(-c3ccc(cc3)OCc4ccccc4)ccc2C)CCCCC	3476
+c1ccccc1COc2ccc(cc2)OCCCc3ccc(cc3)OCc4ccccc4C(=O)OC	20
+c1cc(ccc1N)CCCc2ccc(cc2)Nc3c(cccc3)C(=O)O	0
+c1cc(ccc1CCCl)-c2nocc2C(O)=O	1
+c1cc(ccc1CCCn2c(C)ccc2-c3ccc(cc3)O)CCCCC	16
+c1cc(ccc1CCCn2ccnc2)OCc3coc(-c4cc(cs4)C)n3	2669
+c1cc(ccc1O)CCCn2ccnn2	16
+c1cc(ccc1N)CCCn2cncn2	0
+c1cc(ccc1)OC(NCCc2ccc(cc2)-n3c4c(c(C)cc(C)n4)nc3CC)=O	101
+c1cc(ccc1CCNC(=O)c2cc(-n3cnnn3)cc(-c4ncccc4OC)c2)F	14
+c1cc(ccc1)-c2c3c(ncnc3oc2-c4ccccc4)NCCc5ccc(cc5)N	10944
+c1cc(ccc1F)OCC(O)CNCCc2ccc(cc2)NS(=O)(=O)c3ccccc3	122
+c1cc(ccc1Nc2ncc(cc2)C(=O)N)CCNCc3ccccc3	42
+c1cc(ccc1CCNc2nccc(n2)-c3cccc(c3)CN(S(=O)(=O)C)Cc4ccncc4)O	96
+c1cc(ccc1CCNCc2ccccc2)O	42
+c1cc(ccc1CCNCC2Cc3c(CC2)cccc3)OC	132
+C1CNCCC12C(N(C(N2CCc3ccc(cc3)OC)=O)CC4CC4)=O	25
+c1cc(ccc1CCN2CCCC(=O)CC2)OC	97
+c1cc(ccc1[N+]([O-])=O)C(O)CN2CCN(CC2)CCc3ccc(cc3)[N+]([O-])=O	74
+c1cc(ccc1CCOC2OCCCC2)CCN	18
+c1cc(ccc1Cl)C2(CCC2)C3=NCCc4c3cc(cc4)OC	1120
+c1cc(ccc1CCNC(C)=O)C(C2C(N(c3cc(ccc23)F)C(=O)C)=O)=O	3071
+c1cc(ccc1NS(=O)(=O)c2ccccc2)CCNC(=O)OCc3ccccc3	69
+c1cc(ccc1CCNC(c2cc(N)c(Oc3ccc(CC(OC)=O)cc3Cl)cc2)=O)Cl	0
+c1cc(ccc1-n2c3c(c(C)cc(C)n3)nc2CC)CCN(C)C(=O)NS(=O)(=O)c4ccc(cc4)C	10945
+c1cc(ccc1CCNCc2ccccc2)Oc3ncc(cc3)C(N)=O	136
+c1ccccc1CCN(CCc2ccc(cc2)Oc3ncc(C(=O)N)cc3)Cc4ccccc4	28
+c1cc(ccc1CCNc2c(c(CC)ncn2)C(OCC)=O)CCO	168
+c1cc(ccc1CCNc2nc(nc(COC)c2)Cl)OC	629
+c1cc(ccc1CCNc2nc(OC)nc(c2)C=O)OC	178
+c1cc(ccc1CCNc2nc(nc(CO)c2)Cl)OC	88
+C1(c2ccccc2C(=O)N1CCc3ccc(cc3)CCO)=O	4924
+c1cc(ccc1CCO)Nc2c(N)c(cc(C)n2)C	13
+c1cc(ccc1CCCCCCCC)CCOC(C)=O	165
+c1cc(ccc1CCOC(C)C(=O)O)-c2ccc(cc2)Cl	3
+c1cc(ccc1C=O)CCO	1262
+c1cc(ccc1CCOc2ccccc2C(=O)O)OCC(=O)N(CC)Cc3ccccc3F	1
+O=S(=O)(Oc1ccc(cc1)OCCc2ccc(cc2)CC(C(O)=O)OCC)C	3
+c1cc(ccc1CCc2c[nH]c(C(O)=O)c2)Cl	6
+c1cc(ccc1CCc2n[nH]c(C(O)=O)c2)OC	6
+c12ccc(cc1C(c3c(ccc(c3)F)CC2)=O)F	358
+c1cc(ccc1C=O)CCc2n3cncc3ccc2	39
+C1CN(CCN1C(=O)C)c2ccc(nc2)CCc3ccc(cc3)CN	18
+c1cc(ccc1CCc2oc3c(c(c(cc3)CCC)O)c2C)OC	732
+c1cc(ccc1CCc2oc3cccc(O)c3c2C)OC	173
+c1cc(ccc1CCc2oc3c(c(c(cc3)CC=C)O)c2C)OC	423
+c1cc(ccc1CN2C=CC=CC2=O)Cc3c(cc(C(OCC)=O)n3CC)C	10946
+c1cc(ccc1OC)COc2c(cc(C=O)cc2)OCc3ccc(cc3)Cl	139
+c1cc(ccc1OCC=C)COCCn2nccn2	555
+c1cc(ccc1CN(C(=O)CCCC)c2ccccc2)-c3ccccc3C(=O)O	1
+c1cc(ccc1)C(N(Cc2ccc(cc2)C(=O)O)S(=O)(=O)c3ccc(cc3)Cl)CC	1
+c1cc(ccc1Cl)-c2c([nH]c(n2)-c3ccc(cc3)CN(C)C)C(OCC)=O	10947
+c1cc(ccc1CN(C)C)CN	524
+c1cc(ccc1CN(C)C)N	0
+c1cc(ccc1CN(CC)C(=O)COc2ccc(cc2)CCSc3ccccc3C(=O)O)Cl	1
+c1cc(ccc1C#Cc2ccc(cc2)OC)CN(c3ccc(c(c3)C(O)=O)O)CCCCCC	10948
+CCCN(CCC)CCCCN(CCC(OC)=O)Cc1ccc(cc1)CN(Cc2n(ccn2)C)Cc3[nH]ccn3	566
+FC(F)(F)c1c(OCC)nc(N)cc1	10949
+c1ccccc1CCCNc2ccc3ncc(-c4ccc(cc4)CN)n3n2	1414
+c1cc(ccc1F)CNC(c2sc(nc2C)-c3ccn(n3)CCc4ccc(cc4)F)=O	454
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5cc(c(cc5cn4)CC(NCc6ccc(cc6)F)=O)[N+](=O)[O-]	9
+c1ccccc1CN(Cc2ccccc2)C(C(=O)NCc3ccc(cc3)F)COC(F)F	9
+c1cc(ccc1CNc2nc(OCCCCN3CCc4c(cccc4)C3)ccc2)OC	70
+c1cc(ccc1OC)CNc2c(cccn2)-c3ncsc3-c4cccnc4Cl	70
+c1ccccc1Nc2nn(cn2)-c3ccnc(NCc4ccc(cc4)OC)c3	70
+c1cc(ccc1CNc2cc(nc(I)n2)Cl)OC	40
+c1cc(ccc1CNC(=O)c2ccc3c(c(cnc3)Br)n2)OC	81
+c1cc(ccc1CNc2ncc(cc2-c3c(scn3)-c4c(c(ccc4)Cl)Cl)Br)OC	70
+c1cc(ccc1N(C)C)CN2C(C(=C(C2=O)Nc3ccc(cc3)OC)c4ccccc4)=O	10950
+c1cc(ccc1CN2C(C(=C(C=O)C=N2)NC)=O)OC	10951
+c1cc(ccc1)CN2C3(Cc4c(C3)cc(cc4)[N+](=O)[O-])C(NC2=O)=O	10952
+c1cc(ccc1OC)CN2C(N(C)C(N)=C(C2=O)N)=O	721
+c1cc(ccc1CN2C(N(CCC)C(C(O)C)=N2)=O)C	118
+c1cc(ccc1CN2C(N(c3nc(c(C(=O)O)s3)C)C=N2)=O)F	6
+c1cc(ccc1CN2N=CN(c3[nH]nc(C(NCc4cc(F)c(cc4)F)=O)c3)C2=O)F	1613
+c1cc(ccc1OC)CN2C=C3CN(C(=O)C3=C(Cl)C2=O)CCc4ccc5ccccc5n4	10953
+c1cc(ccc1CN2C(C(=C(C(CO)=C2)C(=O)OC)Cl)=O)OC	10954
+c1cc(ccc1CN2CCNCC2(C)C)OC	15
+c1cc(ccc1CN2C(C)(C)CN(Cc3ccc(cn3)N)CC2)OC	13
+c1cc(ccc1OC)CN2CCOCC2C	15
+c1cc(ccc1CN2C(=O)C3(N(C2=O)Cc4ccccc4)Cc5c(cc([N+](=O)[O-])cc5)C3)OC	10955
+n1c(O)c2N(C(C(=Cc2cn1)C(OCC)=O)=O)C	10956
+c1cc(ccc1CN2CC(c3ccccc3C2CC(O)=O)=C)C(=O)Nc4ccccc4N	4
+c1cc(ccc1F)CN2C(N(c3sc(c(C)n3)C(N)=O)CC2C)=O	4328
+c1cc(ccc1C(=O)CN2C(=O)N(C(CCC)=CC2=O)Cc3ccc(cc3)-c4c(C#N)cccc4)OC	10957
+C(c1ccc2c(c1)c(ncn2)O)c3nnc4n3nc(-c5cnccc5)cc4	10958
+c1cc(ccc1CN2C(c3c(ccc(Cc4nnc5ccc(-c6cccnc6)nn45)c3)N=C2)=O)OC	2102
+c1cc(ccc1CN2C3CN(Cc4ccc(cc4)C(=O)OC)C(C2)C3)Oc5ccc(cc5)-c6occn6	48
+c1cc(ccc1CN2C=CC=CC2=O)Cc3c(cc(C(=O)O)n3CC)C	6
+c1cc(ccc1CN2C(c3c(C=C2)c(N)ccc3)=O)F	0
+c1ccccc1C(=O)Nc2ccc(cc2)CN3CC=C(CCC(OC)=O)C3=O	50
+c1cc(ccc1CN2CC=C(CCC(OC)=O)C2=O)N	0
+c1cc(cc(C)c1Oc2cnc(C)cc2)Nc3ncnc4c3C=C(CCN4)C(=O)OC	10959
+c1cc(ccc1)C(c2ccccc2)CNCC3CCN(CC3)Cc4ccc(cc4)Cl	110
+C1CC(CCN1Cc2ccc(cc2)C)=O	86
+C1CC(CCN1Cc2ccc(cc2)Oc3cc(c(cc3F)F)F)c4c(ccc(c4)NC(Oc5ccc(cc5)[N+]([O-])=O)=O)C	90
+c1cc(ccc1CN2CCC(CC2)c3[nH]c(-c4cnc(cc4)O)nn3)-c5c(cc6c(ccnc6O)n5)-c7ccccc7	104
+c1cc(ccc1CN2CCc3c(c(OC)cnc3C(=O)O)C2=O)OC	6
+c1cc(ccc1CN2C(N(c3cc(n(n3)Cc4ccc(cc4)OC)C(=O)O)C=N2)=O)F	1
+c1cc(ccc1CN2c3c(C(=O)N(Cc4ccc(cc4)C(=O)O)C2=O)cccc3)C	1
+c1cc(ccc1CN2c3c(cccc3)N(CCCCCCCC(O)=O)C2=O)Cl	4
+c1cc(ccc1CN2C(=O)C=Cc3ncc(cc23)N4CC(C4)=O)OC	86
+c1cc(ccc1OCc2ccc(cc2)CN=[N+]=[N-])Cl	20
+c1cc(ccc1CNC(=O)C)CN2CCN(CC2)c3ncccn3	171
+c1cc(ccc1CN2CCN(CC2)c3ncccn3)CN	524
+c1cc(ccc1CNC(c2cnc3c(cc(cc3c2O)CCCO)OC)=O)Cl	213
+c1cc(ccc1Cl)CNC(c2sc(nc2C)NC(c3ccncc3)=O)=O	548
+c1cc(ccc1Cl)CNCC	15
+C(C)OC(N1CC(N)C=2N(C(=O)C=C(N=2)c3ccncn3)CC1)=O	2260
+C1COC2(O1)CC(C)(C)C(N)CC2	2260
+c1cc(ccc1F)CN(C(Cc2ccc(cc2)OCC)=O)C3CCN(CC3)C	58
+Cc1c2c(cc(c(-c3c(OC)cccc3F)n2)CN)ccc1	2260
+C1CN(CCC1C(=O)c2ccc(cc2)F)CC(=O)N(Cc3ccc(cc3)F)Cc4nc(c5COCCc5n4)O	10
+c1cc(ccc1CNc2c(cnc(Br)c2)N)OC	13
+c1cc(ccc1OC)CNc2cc(ncc2[N+](=O)[O-])Nc3ncc(C#N)nc3	2785
+s1cnc(c1-c2c(c(Cl)ccc2)Cl)-c3cc(cnc3N)-c4cnccc4	755
+c1cc(ccc1CNc2c3c(cc(Cl)cc3)nc4CCCC(O)c24)F	652
+c1cc(ccc1CNc2c(N)cc(c(F)c2)C(=O)OC)OC	0
+c1cc(ccc1CNc2cc(cc(c2)F)CO)OC	41
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3c4c(CCC3)cc(OCc5ccccc5)cc4)C(C)C	429
+CC(C)C1CN(CCN1)c2ccc(N)nn2	755
+c1cc2CCN(Cc2cc1)CCCCOc3cccc(N)n3	755
+Nc1cc2c(ncnc2cn1)Nc3cc(Br)c(Br)cc3	755
+c1cc(ccc1-c2nnc(s2)-c3ccc(cc3)C=O)N4CCC(CC4)(CCCC)OC	39
+c1cc(ccc1C=O)-c2cnco2	39
+c1cc(ccc1CO)CCN2C(=O)C=C(CCc3ccccc3)C=C2	10960
+c1cc(ccc1CO)CCN2C=CC(=CC2=O)OCc3ccccc3	10961
+c1cc(ccc1CO)CCN2C(C=C(O)C=C2)=O	923
+c1cc(ccc1C=O)CNc2ncccc2	39
+c1cc(ccc1Cn2c3nc(NCc4ccncc4)nc(c3nc2)N)CO	96
+c1cc(ccc1NC(=O)c2ccc(Cc3cc(cc4c3oc(C(C)C)c4)Cl)o2)C=O	39
+C1CC(CCC1)N(CC2CC2)c3cc(ncn3)C(=O)Nc4ccc(cc4)C=O	39
+c1cc(ccc1NS(=O)(=O)C)C=O	39
+c1cc(ccc1COCOc2ccc(cc2)Cl)OCCF	433
+O=S(=O)(c1ccc(cc1)C=O)NC	39
+c1cc(ccc1OC)COc2c(c3C(=O)C(=CN(CC)c3cc2OCc4ccc(cc4)OC)C(O)=O)Cl	10962
+c1cc(ccc1COC(=O)N2C(CC(OC(c3ccccc3)=O)C2)C(OCc4ccc(cc4)OC)=O)[N+](=O)[O-]	279
+c1ccccc1C(OC2CN(C(C2)C(=O)O)C(OCc3ccc(cc3)[N+]([O-])=O)=O)=O	2167
+c1cc(ccc1COC(=O)N2CC(O)CC2)[N+]([O-])=O	59
+c1cc(ccc1COC(N2CC(N)CC2)=O)[N+]([O-])=O	18
+c1ccccc1CC(C(C(OCc2ccc(cc2)OC)C)Cc3ccccc3)=O	86
+c1ccccc1COC(NC(C(C)C)C(=O)OC2CCC(CC2)C(OCc3ccc(cc3)OC)=O)=O	27
+c1cc(ccc1COC(CCCCCCCCCCC)CC(=O)O)OC	4
+C(C(=O)O)CC(C(=O)OCC=C)OC(C)=O	2167
+c1cc(ccc1COC(N2CC(CC2C(O)=O)SCc3ccc(cc3)OC)=O)[N+](=O)[O-]	2543
+n1cccnc1NCC2C(F)CN(C(=O)OCc3ccc(cc3)C)CC2	96
+C1(CC(=O)OCC)Cc2c(Cc3ccccc13)cc(OCCCN)cc2	10963
+c1cc(ccc1COc2c(cc(C=O)cc2)C(=O)O)F	10964
+c1cc(ccc1CCO)COC	21
+c1cc(ccc1COC2=CC(N(c3cc(NC)c(N)cc3)C=C2)=O)Cl	0
+c1cc(ccc1COCCOCCOCCN)OC	18
+c1cc(ccc1Cl)C(c2ccccc2-c3c(onc3CO)C)=O	1974
+c1cc(ccc1COCc2c(c(on2)C)-c3c(C(c4ccc(cc4)Cl)=O)cccc3)OC	335
+c1cc(ccc1COCc2noc(C)c2-c3c(C(c4ccc(cc4)Cl)O)cccc3)OC	704
+c1cc(ccc1COc2c(c(O)c(cc2)C(C)=O)CCC)C(O)c3cc(ccc3)C#N	168
+c1cc(ccc1C=CC(=O)O)COc2c(c(O)c(cc2)C(C)=O)CCC	127
+c1cc(ccc1COc2cccc(c2C(C)=O)N)OC	0
+c1(cc(cc(c1)O)Br)Nc2cccnc2	686
+c1cc(ccc1OC)COc2cc(c(cc2)-c3cc(ccc3F)OC)CO	217
+O=S(=O)(c1cc(cc(O)c1)Br)C	686
+c1cc(ccc1COc2ccc3c(c2)c4c(C(CC(=O)O)CC4)[nH]3)-c5csnn5	3
+c1cc(ccc1COc2ccc3c(c2)c4c(C(CC(=O)O)CC4)[nH]3)-c5nccnc5	3
+c1cc(ccc1COc2c(c(ccc2)[N+]([O-])=O)C(C)=O)OC	155
+c1cc(ccc1COc2c(c(ccc2)N)N)OC	0
+c1ccccc1-c2c3c(-c4c(cccc4O)C3=O)nc(N)n2	686
+c1cc(ccc1C(=O)c2ccccc2)CP(O)(O)=O	228
+c1cc(ccc1CP(O)(O)=O)OCC2(CCCCC2)C	228
+c1cc(ccc1O)CS(=O)CCn2nncc2	1691
+c1cc(ccc1F)Cc2cc(c(nc2)C#N)Br	10965
+c1cc(ccc1OC)Cc2ccc(cc2)-c3occn3	2300
+c1cc(ccc1C(O)=O)Cc2[nH]c3ccccc3n2	1
+c1cc(ccc1Cc2c3C(=O)N(CCCOC)C(=O)N(C)c3sc2-c4ccc(cc4)Cl)Cl	21
+c1cc(ccc1Cc2c3c(n(c2C)CC(OCC)=O)cccc3)N	0
+c1cc(ccc1Cc2c([nH]nc2C)OC3OC(C(OC(=O)C)C(OC(=O)C)C3OC(C)=O)CO)OC(C)C	59
+c1cc(ccc1OC(C)C)Cc2c(n[nH]c2OC3OC(C(O)C(O)C3OC(=O)C)CO)C	59
+c1cc(ccc1Cc2c(C)nc(N)nc2NCCCCC)CO	168
+c1cc(ccc1Cc2c(C)nc3c(c(CC(O)=O)ccc3Cl)c2C)Cl	4
+c1cc(ccc1)COc2c(Cc3ccc(cc3)CC)ccc(COC(=O)C)c2	22
+c1cc(ccc1Cc2ccccc2OC3C(C(C(C(CO)O3)OC(C)=O)OC(C)=O)OC(=O)C)C(=O)N	59
+c1cc(ccc1Cc2c(cccc2)O)CC#N	16
+c1cc(ccc1Cc2c(C)n[nH]c2OC3OC(C(O)C(C3OC(=O)C)OC(=O)C)CO)OC(C)C	59
+c1cc(ccc1CCC(=O)OCC)Cc2c(c(c(OC)c(c2C)OC)OC)OC	159
+c1cc(ccc1Cc2c(cc(CCCO)c(Br)c2)Cl)OCC	21
+c1cc(ccc1Cc2c(nc3c(ccc(OCC(O)=O)c3c2OC(F)F)F)CC)-n4cccn4	4
+c1cc(ccc1OCCO)Cc2c(nn3c2nc(cc3C)C)CC	95
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)O	5
+c1cc(ccc1Cc2c3C(N(C(N(C)c3sc2-c4ccc(cc4)Cl)=O)CCCO)=O)Cl	88
+c1cc(ccc1Cc2c3c([nH]c4cnc(c(COC)c34)C=O)ccc2)Cl	178
+c1cc(ccc1CCO)Cc2cc(Br)ccc2Cl	59
+c1cc(ccc1C=O)Cc2cc(ccc2Cl)Br	39
+c1cc(ccc1Cc2cc(Br)ccc2Cl)CO	59
+c1cc(ccc1F)Cc2cc3c(c(c(C(OCC)=O)c(O)n3)O)nc2	10966
+c1cc(ccc1Cc2cc(ccc2Cl)Br)O	5
+c1cc(ccc1F)Cc2ccccc2O	562
+c1cc(ccc1N)Cc2cc3CC(Nc3cc2)=O	0
+c1cc(ccc1Cc2ccc(cc2)OCc3ccccc3)C#N	22
+c1cc(ccc1Cc2ccc(cc2)C#N)O	5
+c1cc(ccc1Cc2ccc(cc2)[N+]([O-])=O)CS(=O)(=O)NCc3ccccc3	111
+O=S(=O)(Cc1ccc(cc1)Cc2ccc(cc2)N)NCc3ccccc3	0
+c1cc(ccc1Cc2ccc(cc2)N)F	0
+c1cc(ccc1Cc2ccc(nc2)C(O)=O)O	5
+c1cc(ccc1Cc2c3c([nH]c4cnc(c(c34)COC)CO)ccc2)Cl	194
+c1cc(ccc1Nc2c(cnc3c2cc(cc3)Cl)C=O)Cc4ccccc4	200
+c1cc(ccc1Cc2ccccc2OC3C(OC(C)=O)C(OC(C)=O)C(O)C(O3)CO)C(=O)N	59
+c1cc(ccc1Cc2ccccc2OC3OC(C(O)C(O)C3OC(=O)C)CO)C(N)=O	59
+c1cc(ccc1Cc2c(OC3OC(C(C(O)C3O)O)CO)cccc2)C(N)=O	59
+c1ccccc1COc2ccccc2Cc3ccc(cc3)C(O)=O	1
+c1cc(ccc1C(N)=O)Cc2c(cccc2)O	16
+c1cc(ccc1Cc2c(cccc2)O)SC	16
+c1cc(ccc1O)Cc2n(C)nc(-c3c(cccc3Cl)F)n2	173
+c1ccccc1-c2nc3nnc(Cc4ccc(cc4)F)n3nc2	10967
+c1cc(ccc1N)Cc2nc(Cl)c(c(Cl)n2)CC(=O)OC	0
+C1CCC(C1)c2cc(ccc2O)C(c3c(sc(C)c3C)Cc4ccc(cc4)Br)=O	5
+c1cc(ccc1Cl)-c2c(ncc(C(=O)NC3CCCCC3O)c2)CCCOC	587
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(N(c4ccc(N)c(c4)Cl)S(=O)(=O)C)cc3o2)C5CC5	0
+c1cc(ccc1-c2c3c(C)c(C)[nH]c3nc(C)c2C(=O)C(=O)OC)Cl	10968
+c1cc(ccc1-c2c(C(O)=O)[nH]cc2C)Cl	6
+c1cc(ccc1)Cn2c(C(OCC)=O)c(-c3ccc(cc3)Cl)c(C)c2	3289
+c1cc(ccc1Cl)-c2c3c(nc(Br)s3)cc(C)c2C(O)C(=O)OCC	10969
+c1cc(ccc1)C=Cc2onc(-c3ccc(cc3)Cl)c2C(OCC)=O	10970
+c1cc(ccc1Cl)S(=O)(=O)C(C#N)=Cc2c([nH]c3ccccc23)-c4ccc(cc4)Cl	10971
+C1CC1c2nn3C(c4ccc(cc4)F)=CC(=O)Nc3c2-c5ccc(cc5)Cl	2950
+OB(O)c1c(ccc(c1)-c2ccc(cc2)Cl)Br	493
+c1cc(ccc1-c2cc(c(C)n2-c3ccc(cc3)Cl)C(=O)O)Cl	6
+c1cc(ccc1-c2cc(c(CC)cc2)N)Cl	0
+c1cc(ccc1Cl)-c2cc(CO)cnc2	295
+c1cc(ccc1-c2cc(C(=O)O)cnc2Cl)Cl	1
+c1cc(ccc1-c2ccc(cc2)CCO)Cl	21
+Clc1ccc2c3c([nH]c2c1)cccc3	1223
+c1cc(ccc1Cl)-c2cncc(c2)COc3ccc(c(c3)C)CCCCn4ccnn4	751
+c1cc(ccc1-c2n(C)cc(c2C)C(=O)O)Cl	6
+c1cc(ccc1-c2ccc(C#N)cn2)Cl	1372
+c1cc(ccc1-c2nc(CO)sn2)Cl	4715
+c1cc(ccc1Cl)-c2oc(-c3ccc(N)c(N)c3)nn2	0
+c1cc(ccc1-c2c3c(cccc3)c(Nc4ccc(cc4)Sc5c6c(ncc5)cccn6)nn2)Cl	1443
+c1cc(ccc1Cl)-c2oc(-c3cscc3)c(CC(O)=O)n2	3
+c1cc(ccc1Cl)-c2oc3c(Cn4c(C)cc(n4)C(O)=O)cc(Cl)cc3c2	6
+c1ccccc1COc2c(cc(N(S(=O)(=O)C)c3c(cc4c(C(NC)=O)c(oc4c3)-c5ccc(cc5)Cl)C6CC6)cc2)F	4974
+c1cc(ccc1-c2c(C#N)c(nc(SCc3coc(n3)-c4ccc(cc4)Cl)c2C#N)N)OCC(CO)O	265
+O=C1C=CC(=O)C1c2cc(-c3ccc(cc3)Cl)sc2CC	10972
+c1cc(ccc1-c2scc(n2)CSc3c(c(c(c(N)n3)C#N)-c4ccccc4)C#N)Cl	2837
+C1CC(CCC1)C(c2n(nc3c2cccc3)-c4ccc(cc4)Cl)CO	647
+c1cc(ccc1Cl)-n2c(C(COc3c(cc(cc3C)C(O)=O)C)C4CCCCC4)c5ccccc5n2	1
+c1cc(ccc1Cl)-n2c(c(nc2CC(O)=O)Br)-c3c(cccc3F)F	4
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(=O)Nc4ccc(cc4F)C(O)=O)C5CCCCC5	6
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(Nc4c(F)cc(cc4)OC5(CC5)C(O)=O)=O)C6CCCCC6	4
+c1cc(ccc1C(C2CC2)=C(F)CO)Cl	4313
+c1cc(ccc1Cl)C(Br)=CC2C(C2(C)C)C(=O)O	3
+c1cc(ccc1-c2oc(nc2-c3ccc(cc3)Cl)CCCCCC(C)C#N)Cl	10973
+c1cc(ccc1Cl)-c2cc(C(OCC)=O)c(C)n2-c3ccc(cc3)Cl	4591
+c1cc(ccc1Cl)-n2c(C)ccc2-c3ccc(cc3)Cl	2387
+c1cc(ccc1Cl)-c2oc(-c3cscc3)c(CC(OCC)=O)n2	10974
+c1cc(ccc1Br)NC(CN)c2ccc(cc2)Cl	51
+c1cc(ccc1Cl)-c2nc3n(cc(cc3)Br)c2	440
+c1cc(ccc1C(c2c3cccc(CSCC)c3[nH]c2)CCO)Cl	44
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(=O)O)=O	108
+c1cc(ccc1Cl)-c2nnc(-c3cc(c(cc3)N)[N+]([O-])=O)o2	1782
+c1cc(ccc1-c2nnc(-c3ccc(c(O)c3)C)o2)Cl	1782
+c1cc(ccc1Cl)C(Nc2ccc(cc2)Cc3c(n(c4ccccc34)CC(=O)O)C)=O	3
+c1cc(ccc1Cl)C(Nc2ccc(cc2)Cn3nc(CC(O)=O)c4ccccc34)=O	3
+c1cc(ccc1)CN2CCC(CC2)OC(c3ccccc3Cl)c4ccc(cc4)Cl	3938
+c1cc(ccc1C(c2ccc(cc2)Cl)c3ccc4nccc(C=Cc5ccccc5)c4c3)Cl	4253
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4c(c(ncn4)NC5CCN(CC5)Cc6cc(ccc6)C(OC)=O)c3	131
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3cc4c(cc3)ncnc4NC5CCNCC5	2
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4c(c(ncn4)NC5CCN(CC5)Cc6cc(ccc6)C(=O)O)c3	1
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4ncnc(NC5CCN(CC5)c6ccc(cc6)CC(=O)O)c4c3	4
+c1cc(ccc1Cl)C2(CC2)C(N3CC(S(=O)(=O)c4ccccc4Cl)CC3C(O)=O)=O	4
+c1cc(ccc1Cl)C2(CC2)C(N3CCC(=O)C3)=O	86
+c1cc(ccc1Cl)C2(CCC2)C=3c4cc(O)ccc4CCN=3	5
+c1cc(ccc1)C2COC(=O)N2C(CSCC3(OCC(C)(C)CO3)c4ccc(cc4)Cl)=O	2912
+c1cc(ccc1Cl)C2(OCC(C)(C)CO2)CSCC(=O)O	3
+c1cc(ccc1Cl)-c2cc(nnc2-c3ccccc3Cl)O	10975
+c1cc(ccc1C2=NC3(CCNCC3)C(=O)Nc4ccc(cc24)Cl)Cl	25
+c1cc(ccc1Cl)C2N(C(=O)C(CC=C)(C)CC2c3cc(Cl)ccc3)C(C=O)CC	24
+c1cc(ccc1Cl)C2CCc3c2cc(C(=O)O)[nH]3	1
+c1ccccc1C2Cc3c(cnc(N)n3)C(C2)=O	992
+c1cc(ccc1Cl)C2=C(C=3N(C=C2)C(=O)N(Cc4ccc(cc4)S(=O)(=O)C)N=3)c5ccncc5	10976
+c1cc(ccc1-c2ccc(O)nn2)Cl	2566
+c1cc(ccc1-c2cc3c([nH]2)cc(C(OC)=O)s3)Cl	10977
+c1cc(ccc1N(CCN2C(=O)c3cc(C(OC)=O)ccc3C=C2)Cc4ccc(cc4)Cl)OC	3043
+c1cc(ccc1CNc2ncc(Br)cc2)Cl	811
+c1cc(ccc1)SC2(CC2)C(C=Cc3ccc(cc3)Cl)=O	964
+c1ccccc1C(c2ccc(cc2)Cl)O	704
+c1cc(ccc1Cl)CNc2c(N)cccc2	608
+c1cc(ccc1CCc2c[nH]c(C(=O)OCC)c2)Cl	1283
+c1cc(ccc1CC2NCCC2)Cl	15
+c1cc(ccc1Cl)CC(Cn2ncnc2)O	1377
+c1cc(ccc1Cc2nc(ccc2)C#N)Cl	1304
+c1cc(ccc1CCCCN2C(CCC2)CN3C(=O)c4c(C(Cc5ccc(cc5)Cl)=N3)cccc4)OC	123
+c1cc(ccc1CCC(C(C)(C)C(C)C)=C)Cl	2114
+c1cc(ccc1Cl)CCCO	21
+c1cc(ccc1Cl)C(NC(CNC(CCc2ccc(cc2)Cl)=O)=O)c3ccccc3	9
+c1cc(ccc1Cl)CCNCCCNC(Nc2ccccc2)=O	132
+c1cc(ccc1CCN(CCc2ccc(cc2)Cl)CCCNC(Nc3ccccc3)=O)Cl	28
+c1cc(ccc1CNC(=O)c2c(O)c3c(nc2)ccc(I)c3)Cl	1556
+c1cc(ccc1Cl)CN2C(C(OC)=NN(C2=O)c3cc(ccc3)N)=O	106
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(sc(CN(C)CC(c4cnccn4)O)c3)N(CC)C=2)=O	822
+n1cccnc1C(O)CN(Cc2cc3C(=O)C(C(NCc4ccc(cc4)Cl)=O)=CN(c3s2)C)C	822
+c1cc(ccc1CN(CC)C(=O)COc2ccc(cc2)CCSc3c(cccc3)C(OC)=O)Cl	10
+c1cc(ccc1Cc2c(C#N)c(-c3cc(NC(=O)C)ncc3)sc2C(=O)O)Cl	6
+c1cc(ccc1Cl)Cc2c(c(-c3ccnc(c3)N)sc2-c4nnc[nH]4)C#N	1670
+c1cc(ccc1Cl)Cc2c3c(n(c2Br)CCCC=O)cccc3	578
+c1cc(ccc1Cl)Cn2c3c(cc2CC(C)(C)C(OC)=O)cc(OCc4ccc5occc5n4)cc3	951
+CC(C)(Cc1n(c2c(c1)cc(OCc3ccc4occc4n3)cc2)Cc5ccc(cc5)Cl)C(O)=O	4
+c1cc(ccc1Cl)N2CCN(CC2)c3c(-c4ccc(cc4)N(C)C)nc(OC)cc3	244
+c1cc(ccc1CC(=O)N2C(CCC2)C(=O)Nc3ccc(cc3)Cl)N4CCOCC4=O	348
+c1cc(ccc1Cl)NC2(CCNCC2)C#N	25
+c1cc(ccc1Cl)NC2c3cc(ccc3N(C(C)=O)C(C)C2)-c4ccc(cc4)C(=O)O	6
+c1cc(ccc1Cl)NS(=O)(=O)c2ccc(OC)c3CC(NC)COc23	1925
+c1cc(ccc1Cl)OC(C(OC)=O)c2ccc(cc2)Oc3ccc(cc3)Cl	2486
+c1cc(ccc1OC(C)C(=O)OC)COc2ccc(cc2)Cl	139
+c1cc(ccc1Cl)Oc2ccc(nn2)Cl	1119
+c1cc(ccc1Cl)Oc2c3c(c(CC(=O)O)c(C)n2)cccc3	136
+C1CCCN1CCOc2ccc(cc2)C#Cc3ncc(cc3)-c4ccc(cc4)Cl	2056
+c1cc(ccc1Oc2ccc(cc2)Cl)C(Oc3ccc(cc3)Cl)C(=O)O	4
+c1cc(ccc1Oc2c(C)[nH]c3c2cc(F)cc3)Cl	3122
+c1cc(ccc1Oc2c([nH]c3ccc(SC)cc23)C)Cl	3122
+c1cc(ccc1OCC(O)=O)Cl	3
+Clc1ccc2occc2c1	4487
+c1cc(ccc1Cl)OCCNC(=O)CCc2c(cccc2)O	5
+c1cc(ccc1Cl)Oc2c3cc(F)ccc3n(CC(O)=O)c2C	3
+c1cc(ccc1Cl)Oc2cccc(CN)c2	107
+c1cc(ccc1Cl)Oc2cc(c(cc2)-c3coc4c3cc(OC)cc4)CCC	10978
+c1cc(ccc1Cl)Oc2cc(c(cc2)-c3c4cc(O)ccc4oc3)CCC	5
+c1cc(ccc1Cl)Oc2cc(CCC)c(C(=O)COc3ccc(cc3)OC)cc2	702
+c1cc(ccc1S(=O)(=O)N(C)C(C(OC)=O)=C)Cl	10979
+c1cc(ccc1S(=O)(=O)NC2C(COC)CCCCC2)Cl	21
+Clc1cc2c(cc1)scc2CC	3148
+c1cc(ccc1Cl)Sc2c(n(CC(OCC)=O)c3cccc(c23)N)C	0
+c1cc(ccc1Sc2cccc3c2NC(C3)=O)Cl	1290
+c1cc(ccc1Cl)Sc2ccc(cc2)CCC(=O)O	4
+c1cc(ccc1Sc2c(N)cccc2)Cl	0
+c1cc(ccc1Cn2c(cc(NCc3ccccc3)c2)C(=O)C)F	3118
+c1cc(ccc1Cn2c(C(=O)C)cc(c2)N)F	13
+c1cc(ccc1CN2N=CN(C2=O)c3cc(n(Cc4ccc(cc4)OC)n3)C(OC)=O)F	1712
+c1cc(ccc1Cn2c(-c3ccc(Cl)c(c3)C)cc(C(=O)O)n2)C	1
+c1cc(ccc1-c2ccccc2-c3[nH]nnn3)Cn4c(nc5cccc(C(=O)O)c45)OCC	6
+c1cc(ccc1Cn2c3cccc(O)c3c4cccc(C)c24)F	2302
+c1cc(ccc1OCc2ccccc2)Cn3c4c(cc3CNC)cccc4	729
+Fc1c(Oc2c3c(n[nH]2)cccc3)cccc1	10980
+c1cc(ccc1Cn2c(SCC)nc3cccc(c23)C(=O)O)-c4ccccc4-c5[nH]nnn5	6
+c1cc(ccc1Cn2c(c(CC(C)CC(=S)N)c3c2ccc(OC)c3)C)Br	199
+c1cc(ccc1Cn2c3ccc(OC)cc3c(CC(CC(=O)O)C)c2C)Br	3
+c1cc(ccc1O)Cn2c3nc(nc(N)c3nc2OC)OCCCC	16
+c1cc(ccc1OCc2ccccc2)Cn3cc(-c4ccccc4)c(c3)CO	295
+C1CN(CCC1)c2c(-c3cn[nH]c3)nc(Nc4ccccn4)s2	1613
+CCOC(c1c2c(c(Cl)nc1)cc[nH]2)=O	10981
+c1cc(ccc1Cn2nnc(n2)-c3cc(ccc3)CO)OC	1146
+c1cc(ccc1Cn2nc(C(O)=O)cc2CCCC)-c3c(C#N)cccc3	6
+c1cc(ccc1Cn2c3c(cccc3)c(Oc4c(F)cccc4)n2)OC	480
+c1ccccc1-c2scc(COc3ccc(cc3)Cn4cc(c(OCC)n4)CCC(O)=O)n2	3
+c1cc(ccc1N)Cn2nc(c3ccccc23)CC(=O)OCC	0
+c1cc(ccc1Cn2nc(Oc3ccc(cc3F)N)c4ccccc24)OC	0
+c1cc(ccc1Cn2nc(-c3cccc(c3)C(O)=O)nn2)OC	1
+c1cc(ccc1Cn2c3c(ccc(C=C)c3)cn2)OC	10982
+c1cc(ccc1F)-c2nc([nH]c2C=O)CCCC	614
+c1cc(ccn1)-c2c(-c3ccc(cc3)F)[nH]cc2	10983
+O=S(=O)(c1ccccc1)Nc2c(Br)cc3c(C(=O)OC)c(-c4ccc(cc4)F)oc3c2	69
+c1cc(ccc1-c2c(c(nc3ccc(cc23)Br)C)C(C)O)F	652
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(-c4cc(ccc4)C(NC(C)(C)C(O)=O)=O)c3)o2	4
+c1cc(ccc1F)-c2nn3c(ccc(OC)c3)c2Cc4cccc(n4)C(=O)OC	10984
+c1cc(ccc1F)-c2c(c(Cl)nc3ccccc23)CO	351
+c1cc(ccc1F)-c2nn3CCN(CCC(=O)O)c3c2C=4C=CC(=O)N(c5c(cccc5)C)N=4	3
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(C(=O)OC)cn3)F	3155
+c1cc(ccc1-c2c(nc3n(ccn3)c2)Cl)F	10985
+c1cc(ccc1-c2c(C=O)c(nc3ccccc23)Cl)F	200
+c1cc(ccc1F)-c2c(c(on2)C)CO	903
+c1cc(ccc1F)-c2noc(C)c2COc3ncc(C(=O)OC)cc3	91
+c1cc(ccc1F)-c2cc(c3c(c2Cl)c(O)ncn3)O	390
+c1cc(ccc1F)-c2oc3cc(c4OC(C)Cc4c3c2C(O)=O)NS(=O)(=O)C	1
+c1cc(ccc1F)-c2c(c3c(o2)ccc(-c4c(C)ccc(C(O)=O)c4)c3)C(=O)NC	1
+C1CCCCC1n2ncc(C(=S)N)c2-c3ccc(cc3)F	4277
+c1cc(ccc1F)-c2c(n(nn2)C)C#Cc3ncc(cc3)C(=O)O	1
+C1CCCCN1c2ccc3c(c2)c(c(c(C)n3)CO)-c4ccc(cc4)F	295
+c1cc(ccc1F)-c2c3c(ncnc3sc2)OCCCOc4cc(ccc4)N	0
+c1cc(ccc1-c2cccn3c2nc(N)n3)F	982
+c1ccccc1CN2C(c3cc(nn3CC2)-c4ccc(cc4)F)=O	10986
+c1cc(ccc1F)-c2cc(CNc3c(N)cnc4cccnc34)on2	13
+c1cc(ccc1-c2nnc(O)c(O)c2)F	390
+c1cc(ccc1-c2c(C(O)=O)ccc(OC)c2)F	1
+c1cc(ccc1-c2cc(nn2-c3cnc(OC)cc3)C(O)=O)F	6
+c1cc(ccc1F)C(=O)C=C(N)C	10987
+c1cc(ccc1F)-c2cc(no2)C(=O)NCCC(O)=O	4
+c1cc(ccc1F)-c2cc(no2)C(NCCCC(=O)O)=O	4
+c1cc(ccc1F)-c2cc(on2)CNc3c4ccccc4nc(Cl)c3N	13
+c1cc(ccc1F)-c2ccc(COc3cc(c(cc3)CCCCn4nncc4)C)c(C)n2	751
+c1cc(ccc1F)-c2ccc(cc2)C(N(C)C3CCc4c(ccc(CN)c4)C3)=O	107
+c1cc(ccc1F)-c2csc3ncnc(CCCCOc4cc(C(OC)=O)cnc4)c23	1286
+c1cc(ccc1F)-c2n3ccc(C=O)cc3cc2C(OCC)=O	39
+c1cc(ccc1F)-c2nc(c(o2)CC(C)C)CC(O)=O	3
+c1cc(ccc1F)-c2nc(C)c(cc2)CO	351
+c1cc(ccc1F)-c2cn3c(sc(C(O)=O)c3C)n2	6
+c1cc(ccc1F)-c2nc3ncccn3c2C(Nc4ccc(cc4)Cl)=O	466
+c1cc(ccc1-c2nc3n(cc(cc3)Br)c2C(=O)O)F	6
+c1ccccc1C#Cc2ccc3c(c(-c4ccc(cc4)F)nn3C5OCCCC5)c2	455
+c1cc(ccc1F)-c2c(c3N(CCn3n2)CCCO)C=4C=CC(=O)N(c5c(cccc5)C)N=4	21
+c1cc(ccc1F)-c2c(Cc3cccc(C(O)=O)n3)c4n(n2)cc(cc4)OC	1
+c1cc(ccc1F)-c2cc(c(O)nn2)OC	104
+c1cc(ccc1F)-c2c(n(nn2)C)C#Cc3ncc(C(OC)=O)cc3	943
+c1cc(ccc1F)-c2noc(C)c2COc3ccc(cn3)C(=O)O	1
+c1cc(ccc1)C=Cc2c(COc3ccc(C(=O)OC)cn3)c(no2)-c4ccc(cc4)F	91
+c1cc(ccc1F)-c2oc3c(c2C(OC)=O)c4CC(C)Oc4c(c3)N	0
+c1cc(ccc1F)-c2c(C(=O)OC)c3cc(Br)c(N)cc3o2	0
+c1cc(ccc1F)-c2oc3ccc(cc3c2C(NC)=O)-c4cccc(-c5nn(nn5)Cc6ccccc6)c4	4764
+c1cc(ccc1F)-c2ncc(C3(CCCc4cnccc34)O)s2	5089
+c1cc(ccc1F)-n2c(ncn2)-c3ccc(cc3)N	0
+c1cc(ccc1F)-n2c(-c3cn(-c4ncc(C(O)=O)cc4)cn3)c(nn2)C	1
+c1cc(ccc1-n2c(SCc3c(ccc(F)c3F)F)ncc2C=O)F	5090
+c1cc(ccc1F)-n2c(ncc2C(C)(C)c3cc(c(cc3)Cl)OC)CCc4c(cc(cc4Cl)C(=O)O)F	6
+c1cc(ccc1-n2c(C=O)c(c(n2)C(OC)=O)C(C)C)F	178
+c1cc(ccc1F)-n2c(COc3cnc(C(=O)O)cn3)c(C)nn2	1
+c1cc(ccc1F)-n2ncc(C(=O)c3cccc(c3)N)c2N	0
+c1cc(ccc1F)-n2nnc(C)c2COc3ncc(cc3)C(=O)OC	91
+c1cc(ccc1F)-n2c(COc3cnc(C(=O)OC)cn3)c(C)nn2	799
+c1cc(ccc1F)-n2ccc3c2ccc(O)c3	16
+c1ccccc1COC(=O)N2CCC(CC2C(=O)N)C(CC)NC(=O)c3c4cnn(c4cnc3)-c5ccc(cc5)F	56
+c1cc(ccc1F)-n2ncc(C(O)=O)c2N	6
+c1cc(ccc1F)-n2c3cncc(C(=O)O)c3cn2	6
+c1cc(ccc1F)-n2ncc3cc(C(C)(C)C(C)(C)C(=O)O)ccc23	4
+c1cc(ccc1)C(c2cc3c(n(-c4ccc(cc4)F)nc3)cc2)C(C)(C)C(O)=O	4
+c1cc(ccc1)C(Oc2c(cc3n(-c4ccc(cc4)F)ncc3c2)C)C(C)N	669
+c1cc(ccc1F)-n2ncc3cc(c(C)cc23)OC(C(C)NC(CO)=O)c4cccc(OC)c4	948
+c1cc(ccc1F)-n2ncc3cc(Oc4ccc(N)cn4)ccc23	13
+c1cc(ccc1F)-n2c(c(nn2)C)CO	1125
+c1cc(ccc1F)-n2nnc(C)c2COc3ccc(cn3)C(=O)O	1
+c1cc(ccc1OC)CN2N=C(CO)C=C(c3ccc(cc3)F)C2=O	10988
+c1cc(ccc1-c2ncc(cc2)C(=O)N)F	140
+c1cc(ccc1C=2C=NN(Cc3ccccc3)C(=O)C=2)F	10989
+c1cc(ccc1F)-c2nc3c(nc(N)nc3cc2)O	691
+c1cc(ccc1-c2n3nc(ccc3nc2-c4cc(c(cc4)C)[N+]([O-])=O)OC)F	1414
+n1cc(cnc1C(NC2CN(c3nccn4cccc34)CC2)=O)-c5ccc(cc5)F	537
+n1cc(cnc1Cl)-c2ccc(cc2)F	537
+c1cc(ccc1F)-c2c3c(ncc(C(=O)N)c3)cnc2	1151
+c1cc(ccc1-c2n(cnc2-c3nccc(C#N)c3)CCc4c(Cl)cccc4)F	1234
+c1ccccc1COc2nn3CCN(c4ccc(cc4)F)C(c3c2)=O	1464
+c1cc(ccc1F)-n2c3c(cc2)cc(cc3)OCc4ccccc4	3371
+c1cc(ccc1C#Cc2cc3c(N=C(c4cc(ccc4)-n5ccnc5)CC(=O)N3)cc2)F	1222
+C1CC(CCN1C)C(O)c2ccc(cc2)F	74
+c1cc(ccc1F)C(C2CCN(CC2)CC(=O)NCc3nc(c4COCCc4n3)O)=O	9
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(=O)N(C(CC)C)Cc3nc4c(c(O)n3)COCC4	10
+c1cc(ccc1F)C(=O)C2CCN(CC2)CCCCN3C(=O)c4ccc(N)cc4NC3=O	0
+c1ccccc1S(=O)(=O)N2CCC(CC2)C(c3ccc(cc3)F)=O	92
+c1cc(ccc1F)Nc2nc(-c3ccc(cc3)F)cs2	354
+c1cc(ccc1F)-c2cc(nn2-c3ccc(nc3)OC)C(OCC)=O	10990
+c1cc(ccc1F)C(=O)N(Cc2c(OCCCCCC(=O)O)cccc2)C(C)C	3
+c1cc(ccc1C(N2CCCC(C2)c3nc(-c4ncc(cc4)F)on3)=O)F	10991
+c1cc(ccc1)Cc2nc(C3CN(CCC3)C(=O)c4ccc(cc4)F)no2	4097
+c1cc(ccc1C(c2c(nccc2)C(=O)OC)=O)-n3ccnc3	431
+CC(C)(c1ccc(cc1)F)CN	51
+c1cc(ccc1F)C(C)(C)CCC=O	378
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(O)=O	3
+c1cc(ccc1C(CNC)O)F	25
+c1cc(ccc1F)C(N2CCN(CC2)C(C)C)CN3CCN(CC3)CCCc4c(cccc4)-c5ccccc5	15
+c1cc(ccc1F)C(CN2CCN(CC2)C(CCc3c(-c4ccccc4)cccc3)=O)N5CCN(CC5)C(C)C	10
+C1CN(CCN1C(C)C)C(c2ccc(cc2)F)CN3CCN(CC3)CC=Cc4c(cccc4)-c5ccccc5	1863
+c1cc(ccc1F)C(CN2CCNCC2)N3CCN(CC3)C(C)C	215
+c1cc(ccc1F)C(=O)NC2CCNCC2	25
+c1cc(ccc1C(Nc2nc(c(F)cc2CN)Nc3[nH]nc(c3)C4CC4)C)F	388
+c1cc(ccc1C(C)Nc2c(cc(c(n2)Nc3cc([nH]n3)C)F)N)F	13
+c1cc(ccc1C(Cc2c(ccc(-c3sccc3)c2)OC)=O)F	155
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCN(CC3)Cc4ccccc4	5059
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(C(=O)O)C#N	108
+c1cc(ccc1C(c2ccc(cc2)F)=C(n3cnnn3)C(=O)O)F	108
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(n3nnnc3)C=CC(O)CC(O)CC(=O)OCC	770
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCNCC3	25
+c1cc(ccc1C(c2ccc(cc2)F)CC(OCC)=O)F	5053
+c1cc(ccc1F)C(c2ccc(cc2)F)CCN(CCc3ncccn3)Cc4ccccc4	61
+c1cc(ccc1C(c2ccc(cc2)F)CCNCCc3ncccn3)F	25
+c1cc(ccc1F)C(c2ccc(cc2)F)CC=O	24
+c1cc(ccc1F)C(O)c2ccc(cc2Cl)Cl	488
+C1CC(CCC1(c2ccc(cc2)F)CO)=O	21
+c1cc(ccc1F)C2(CCCCC2)CCC(=O)O	3
+c1cc(ccc1F)C2(c3ccc(cc3)F)C(N(CC2)CC(O)=O)=O	3
+c1cc(ccc1C2CC(NC(C)=C2C(O)=O)=O)F	127
+c1cc(ccc1C2c3nc(Nc4cc(c(-n5cc(nc5)Cl)cc4)OC)sc3CC(=O)C2)F	97
+c1cc(ccc1F)C2CCC(C#N)N2S(=O)(=O)c3ccc(cc3)C	143
+C1CC(CCC1c2ccc(cc2)F)=O	97
+c1cc(ccc1C2c3c(CC2)c(N4CC(F)(F)C4)nc(Nc5ccc(-n6cnc(Cl)n6)c(OC)c5)n3)F	55
+C1CC2(CCN1)CN(C(=O)c3cc(Cl)ncc3)CC2c4ccc(cc4)F	25
+c1cc(ccc1F)COc2ccc(cc2)O	22
+c1cc(ccc1CC2CCCN(c3sc(C(NCc4ccccc4)=O)c(C)n3)C2=O)F	1554
+c1cc(ccc1Cc2ccco2)F	2233
+c1cc(ccc1Cn2c3cc(Br)ncc3cc2-c4cnn(c4)C)F	190
+c1cc(ccc1CNCc2nc(c3c(CCOC3)n2)O)F	370
+c1cc(ccc1F)CC(C(O)=O)c2cc(ccc2)S(=O)(=O)C	4
+c1cc(ccc1CC(C)(C)C(=O)O)F	3
+c1ccccc1C(c2ccccc2)(C(=O)N)CCC(C)(C)N(C)CCc3ccc(cc3)F	28
+c12cc(ccc1CCCC2=O)F	214
+c1cc(ccc1F)CCN2CC(CN)C(C)CC2	18
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4ccc(cc34)C(c5ccccn5)O	3059
+c1cc(ccc1F)CCN2CCC(CC2)N3c4cc(C#N)ccc4CC3	1308
+c1cc(ccc1F)CCN2CCC(CC2)N3c4c(CC3)ccc(Cc5ccccn5)c4	3156
+c1cc(ccc1F)CCN2CCC(CC2)n3c4cc(C#N)ccc4cc3	5091
+c1cc(ccc1F)CCN2CCC(CC2)N3c4c(ccc(C(O)C)c4)CC3	74
+c1cc(ccc1F)CCc2ccc(C(O)=O)cc2C(OC)=O	1
+c1cc(ccc1F)CCc2ccc(cc2C(OC)=O)CO	49
+c1cc(ccc1F)CCn2nc(cc2)-c3sc(c(C)n3)C(O)=O	6
+c1cc(ccc1CN(C(=O)CC(=O)C(=O)O)OC)F	10992
+c12cc(ccc1cncc2)F	10993
+c1c2c(ccc1)CC(C2)NC(=O)c3sc(N4CCN(Cc5ccc(cc5)F)C4=O)cc3C	227
+c1cc(ccc1F)CN2C(N(CC2)c3nc(c(s3)C(O)=O)C)=O	6
+c1cc(ccc1F)CN2C(N(c3sc(c(C)n3)C(O)=O)CC2C)=O	6
+C1C2COCC(CN1)N2Cc3ccc(cc3)F	25
+c1cc(ccc1F)CN2CC(N(C(=O)COc3ccc(Cl)cc3C(O)CCC(O)=O)CC2C)C	74
+c1cc(ccc1F)CN2CC(C)N(CC2C)C(COc3c(cc(cc3)Cl)C(CCC(O)=O)=O)=O	3
+c1cc(ccc1F)CN2CC(N(CC2C)C(COc3c(cc(Cl)cc3)CC(O)=O)=O)C	3
+C1CC(CCN1Cc2ccc(cc2)F)CCN	45
+c1cc(ccc1F)CN2CCC(CC2)CCN3C(c4ccccc4C3=O)=O	332
+c1cc(ccc1F)CN2C(=O)N(CC2)c3cc(c(C(=O)O)s3)C	6
+c1ccccc1COc2c(ncc(c2O)C(NCc3ccc(cc3)F)=O)C=O	178
+c1cc(ccc1F)CNC(=O)C2=C(C(N(C)C(=N2)C(C)(C)N)=O)O	102
+c1cc(ccc1F)COc2cc(O)ncc2	3045
+c1cc(ccc1F)COCC2COCc3nc4c(c5ccccc5nc4N)n23	445
+c1cc(ccc1F)COc2c(C=3CCCCC=3c4cccc(C(O)=O)n4)cc(Cl)cc2	6
+c1cc(ccc1F)COc2cc(F)c(N)cc2	0
+c1cc(ccc1Cc2cnc(C#N)c(Nc3ccc(cc3)F)c2)F	1674
+c1cc(ccc1F)Cc2noc(C=3N=C(N(C)C(C=3O)=O)C4CCCC4)n2	3849
+c1cc(ccc1F)Cn2c3c(c4ccccc24)CC5CNC(=O)N5C3	10994
+c1cc(ccc1)CN2CC(N3CCC(CC3)Nc4n(c5c(cccc5)n4)Cc6ccc(cc6)F)CCC2	85
+c1cc(ccc1F)N2C(c3c(N=C2CN)cccc3)=O	102
+c1cc(ccc1F)N2C(N(C=C(C(=O)Nc3ccc(cc3)Oc4ccnc5cc(OC)cc(c45)OC)C2=O)CC)=O	10995
+c1cc(ccc1N2CC(C)(C)NCC2)F	25
+C1CN(CCN1c2ccc(cc2)F)c3c(-c4ccc(cc4)N(C)C)nc(OC)cc3	244
+c1cc(ccc1F)N2CCN(CC2)C(=O)Oc3ccc(cc3)[N+]([O-])=O	66
+c1cc(ccc1F)NC(Nc2ccc(cc2)Oc3cc(ncc3)C(=O)NCC4CC4)=O	124
+c1cc(ccc1F)NC(=O)Nc2ccc(cc2)Oc3ncnc4[nH]c(C(=O)OCC)cc34	124
+c1cc(ccc1F)NC(=O)Nc2c(cccc2)N	124
+c1cc(ccc1F)NC(=O)Nc2ccc(cc2)Oc3ncnc4c3cc(CO)[nH]4	194
+c1cc(ccc1F)NC(=O)Nc2ccc(cc2)Oc3ncnc4[nH]c(cc34)C=O	178
+c1cc(ccc1F)NC(c2c(Cl)cccc2N)=O	0
+c1cc(ccc1)CCOC(=O)COc2ccc(C(=O)Nc3ccc(cc3)F)cn2	10996
+c1cc(cc2C(=O)C(=O)Nc12)F	1418
+c1cc(ccc1F)NC(=O)CCN2CCNCC2	25
+c1c(cc2c3C(NCCc3[nH]c2c1)=O)F	10997
+c1cc(ccc1F)-n2c3c(cn2)C4CC3CN(Cc5ccccc5)C4	10998
+c1cc(ccc1F)Nc2ncnc3cc(OC)c(O)cc23	173
+c12[nH]c3c(c1ccc(F)c2)cc(F)cc3	10999
+c1cc(ccc1CC(Oc2ccc(cc2)F)C(O)=O)OCCON=C(c3ccc(cc3)-c4ccc(cc4)F)C	3
+c1cc(ccc1O)CC(Oc2ccc(cc2)F)C(OCC)=O	16
+c1cc(ccc1F)OC(NC(C(C)C)C(=O)NC(COc2ccc(cc2)C#N)C)=O	9
+c1cc(ccc1F)OCC=O	571
+c1cc(ccc1OCCC(CCC=C)C(=O)OCC)F	2283
+c1cc(ccc1F)Oc2c(Nc3ccc(C#N)cn3)ncc(Sc4ncccn4)c2	346
+c1cc(ccc1F)Oc2ccc(cc2)CCNc3ncc(c(O)n3)Cc4cnc(nc4)OC	785
+c1cc(ccc1F)Oc2c(N)c(ccc2)C(=O)O	1
+c1cc(ccc1F)S(=O)(=O)N(C(C)C)CC(=O)O	4
+c1cc(ccc1F)S(=O)(=O)N2CCCc3cc(c(cc23)N)C	0
+O=S(=O)(N1C(C(O)=O)CN(CC1)C)c2ccc(cc2)F	3
+c1cc(ccc1F)S(=O)(=O)c2c(Cn3c4c(c(c3C)CC(O)=O)ccc(F)c4)cccc2	3
+c1cc(ccc1F)Sc2c(C=O)c(ccc2)F	39
+c1cc(ccc1F)Sc2cccc(F)c2CO	611
+c1cc(ccc1[N+]([O-])=O)Oc2ccc(cc2)-c3occn3	46
+c1cc(ccc1[N+]([O-])=O)N2CC3CCC(COc4ccc(cc4)F)CN3CC2	34
+c1cc(ccc1)-c2c(c(on2)C)-c3cn(c(COCc4ccccc4)n3)-c5ccc(cc5)[N+](=O)[O-]	431
+c1cc(ccc1I)-n2cnc(c2)CN	18
+c1cc(ccc1Br)C#Cc2ccccc2	129
+c1cc(ccc1I)-c2noc(C)n2	4203
+c1cc(ccc1-c2oc(nn2)-c3cccc(OC)c3)I	1782
+c1cc(ccc1Cl)C#Cc2ccc(c(C#N)n2)N	129
+c1cc(ccc1Cl)N2CCc3n(-c4c2cccc4F)c(nn3)C	2335
+c1cc(ccc1I)N2C=CC=CC2=O	3044
+c1cc(ccc1I)-n2cnc(CO)c2	1444
+c1cc(ccc1-n2cc(CO)nc2)N3C=CC=CC3=O	1444
+c1ccccc1S(=NC(=O)c2cnc(N)c(C#Cc3ccc(cc3)O)c2)(C)=O	129
+c1cc(ccc1I)OCc2c(oc(C(=O)OC)c2)C	20
+c1cc(ccc1I)OCc2c(oc(c2)C(=O)O)C	1
+c1cc(ccc1N(C(CNc2ccc(cc2N)F)=O)C(C)C)OC	0
+C1CN(CCC1CN(C(CC)=O)c2ccc(cc2)Cl)CCc3ccccc3	28
+c1cc(ccc1N(CC2c3ccccc3CCC2)C)OC	15
+c1cc(ccc1N(C)C)-c2ccc(C(=O)Nc3cc(CC(O)=O)ccc3)o2	3
+c1cc(ccc1N(CCO)C)-c2sc3c(cccc3)n2	11000
+c1cc(ccc1N(C)CCOC)C(=O)O	6
+c1cc(ccc1N(C)c2c3c(nc(C)n2)cccc3)OCC(=O)O	4
+c1cc(ccc1N(CC(Nc2ccc(cc2)Cl)=N)C)F	4303
+c1ccc2C(=O)N(C(=O)c2c1)CCN(c3ccc(cc3)Nc4ncnc(c4)-c5cc(ccc5)-c6ccccc6)CC	851
+c1cc(ccc1N(C)CC2c3ccccc3CCC2)O	5
+c1cc(ccc1N(CCCC)CCCC)C=Cc2ccc(cc2)C=C	443
+c1cc(ccc1N(C(C2c3ccc(cc3CCC2)O)=O)Cc4ccc(cc4)N(C)C)C(C)C	16
+c1cc(ccc1NC(Nc2ccc(cc2)-c3c(c(sn3)NC(=O)NCCCN4CCCC4)C(N)=O)=O)C	124
+c1cc(ccc1-c2cc(C)ncc2)NC(C(c3ccc(cc3)[N+]([O-])=O)C)=O	26
+CC(C)n1c2ncnc(Cl)c2c(c1)-c3ccc(cc3)NS(=O)(=O)c4ccccc4	69
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)-c3nc(c(cn3)OC)N4CCOCC4	90
+c1cc(ccc1-c2nc3[nH]ncc3c(n2)OC4CCC(CC4)O)N	1002
+c1ccccc1C(=O)Nc2ccc(cc2)-c3occ(-c4cc(Cl)ccc4)n3	50
+c1cc(ccc1Nc2c3nccn3c(cn2)Br)-n4ccnc4	1638
+c1cc(ccc1Nc2c3ccc(C)c(Nc4c(cccn4)-c5c6cn[nH]c6ncn5)c3ccn2)C#N	201
+C1CCCC1CC(C(=O)O)c2ccc(cc2)NC(c3ccccc3)=O	50
+c1cc(ccc1C2SCCNC2)N	15
+c1cc(ccc1NC(=O)c2cc3c(cc2)cccc3)CN4c5c(c(ccc5OC)CC6C(=O)NC(=O)S6)CCC4=O	67
+c1cc(ccc1Cc2cc3CC(Nc3cc2)=O)NC(=O)c4n(nc(c4)C)CC	187
+c1cc(ccc1NC(c2ccccc2)=O)Cc3cn(C)c4ccc(C(=O)OC)cc34	50
+C1CCCN1c2c(c(nc(Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)n2)C)CC(OC)=O	67
+n1c(Cl)c(c(nc1Cc2ccc(cc2)NC(c3cc4c(cc3)cccc4)=O)Cl)CC(OC)=O	67
+c1cc(ccc1NCCCOc2ccc(cc2)C=C(C)C(OC)=O)Cl	1350
+c1cc(ccc1Nc2c(OC)cc3C45CCCCC4C(Cc3c2)N(CC5)C(OCc6ccccc6)=O)Cl	1215
+c1cc(ccc1)Oc2c(cc(cc2)C(=O)c3ncc(Nc4ccc(cc4)Cl)cc3)C(OC)=O	1674
+c1cc(ccc1NC(c2cccnc2SCc3ccncc3)=O)Cl	246
+c1nc(ncc1C(=O)OCC)Nc2ccc(cc2)Cl	55
+c1cc(ccc1Nc2c(N)c(ncn2)Cl)Cl	73
+c1cc(ccc1F)NC(=O)c2ccc(nc2)Cl	971
+c1cc(ccc1F)Nc2nc(Nc3cc(c(cc3)F)Cl)ccn2	55
+c1cc(ccc1N=Cc2cccc(-c3ccccc3)c2O)I	457
+c1nc(ncc1)Nc2ccc(cc2)I	55
+c1cc(ccc1N(C(=O)C)C)Nc2nc(c3c([nH]cc3)n2)NCCCCCN	55
+c1cc(ccc1C(Nc2ccc(cc2)N3C4C(CC3)N(C)CC4)=O)OCCCC	67
+Nc1ccc2nc3c(c(c2c1)O)cc(cc3)[N+]([O-])=O	11001
+c1cc(ccc1OCC)NCCNCc2ccccc2	1350
+c1cc(ccc1Nc2c(c(Cl)nc3ccnn23)CCCO)OCC	11002
+c1cc(ccc1)N2N(C(=C(C2=O)C(Nc3ccc(cc3)Oc4c5c(cc(OCC(O)C)cc5)ncc4)=O)C)C	1349
+c1cc(ccc1NC(C=2C(=O)N(c3ccccc3)N(C=2C)C)=O)Oc4cc(ncc4)N	1349
+c1cc(ccc1Nc2ccc(cc2)S)[N+](=O)[O-]	1370
+c1cc(ccc1Sc2nc(ncc2)Cl)N	1124
+n1cc(cnc1Sc2ccc(cc2)N)Br	11003
+c1cc(ccc1N)Sc2ccnc3cccnc23	11004
+c1cc(ccc1N2CCC(CO)C2=O)Cl	4756
+c1cc(ccc1N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl)N	0
+c1cc(ccc1NC(c2ccc(cc2)N3C(=O)CCc4ccccc34)=O)OC	50
+C1=CN(c2cccc(c2)F)C(=O)n3cc(nc13)CCl	11005
+c1cc(ccc1)COc2ccc(cc2)C3C(CCC(=O)c4ccc(cc4)F)C(=O)N3c5ccc(cc5)F	832
+c1cc(ccc1N2C(C(=O)O)=CNC2=S)F	108
+c1cc(ccc1N2C(C)c3c(N(C2=O)c4cccc(C#N)c4)nc(Nc5cc(CCO)ccc5)nc3)OC	59
+c1cc(ccc1-n2c(cc3c(c(OC)cc4ncnc2c34)OC)CI)Cl	11006
+c1cc(ccc1N2CC(CN)OC2=O)I	18
+c1cc(ccc1CC(O)=O)N2C(=O)N(CC(Nc3cc(c(cc3OC)OC)Cl)=O)c4c(C2=O)cccc4	3
+c1cc(ccc1O)CC2c3c(cc(O)cc3)CCN2c4ccc(cc4)NC(=O)C	5
+c1cc(ccc1)N2C(C=3C(c4ccc(cc4)Cl)=NCc5onc(C)c5C=3C=C2)=O	11007
+c1cc(ccc1N2CC(CC2=O)COC)C	21
+c1cnccc1C(N2C(CN(CC2C)c3ccc(cc3)OCCCN4CCCCC4)C)=O	30
+c1cc(ccc1F)N2CC(CO)CC2=O	44
+c1cc(ccc1N2CC(CO)CC2=O)C	88
+C1CN(CCC1(OC)Cc2c(F)cccc2)c3ccc(cc3)C#N	274
+c1cc(ccc1Br)N2CCC(CC2)O	100
+c1cc(ccc1Cl)N2CCC(CC2)C=O	378
+c1cc(ccc1N2CC(CC2)N=C(N)N)[N+]([O-])=O	4967
+C1CC(CCN1c2ccc(cc2)NS(=O)(=O)c3ccc(cc3)NC(C)=O)=O	97
+c1cc(ccc1N2CCCN(C2=O)C)N	0
+c1cc(ccc1-c2nc(c3c(cc(OC)cc3OC)n2)O)N4CCNC(C)C4	526
+C1CN(CCN1CCCCc2c3c([nH]c2)cccc3)c4ccc(cc4)OC	15
+c1cc(ccc1N2CCN(CC2)c3nc(-c4ccccc4)c(s3)C(=O)OCC)OC	11008
+C1CN(CCN1c2ccc(cc2)N)C(O)C	0
+C1CN(CCN1c2ccc(cc2)N)C(OCCN(C)C)=O	0
+C1CN(CCN1c2ccc(cc2)N)C(OCc3ccccc3)=O	0
+c1cc(ccc1CC(C(O)=O)C)N2CCN(CC2)C	3
+c1cc(ccc1N=C=S)N2CCN(CC2)C	1034
+c1cc(ccc1N2CCN(CC2)C)Nc3nc(ccn3)Nc4ccc(c(C#N)c4)F	55
+c1cc(ccc1N2CCN(CC2)CC(=C)C)N	0
+c1cc(ccc1N2CCN(CC2)c3nc(-c4ccccc4)c(s3)C#N)OC	1812
+c1cc(ccc1[N+]([O-])=O)OC(=O)N2CCN(CC2)c3ccc(cc3)[N+]([O-])=O	66
+c1cc(ccc1N2CCOC2=O)-c3ccc(CCC(=O)O)n3-c4c(C)cc(C(N)=O)cc4	3
+c1cc(ccc1N2CCOCC2)-c3c(C4C(C(O)=O)CC(CC4)F)nc(s3)C	4
+C1COCCN1c2ccc(cc2)CN	107
+C1COCCN1c2ccc(cc2)Nc3nccc(Sc4ccc(cc4)NC(C=C)=O)n3	55
+C1COCCN1c2ccc(cc2)Nc3nc(O)c4c(c(-c5cc(ccc5)[N+]([O-])=O)ncc4)n3	744
+c1cc(ccc1N2CCOCC2)NC(c3ccc(cc3)-c4nc(sc4)C(O)=O)=O	6
+c1cc(ccc1N2CCOCC2=O)CC(O)=O	3
+c1cc(ccc1N2C(c3ccc(cc3CC2)OC)Cc4ccc(cc4)O)NC(=O)C	16
+c1cc(ccc1OCC2=C(C(=O)N(c3ccc(cc3)F)N2C)C4CC4)F	11009
+c1cc(ccc1N2c3c(cccc3)CCC2=O)C(=O)O	1
+c1ccccc1C(C=C)c2c(OCCC)c(cc(Br)c2)NC(=O)Nc3ccc(cc3)C	124
+c1cc(ccc1NC(=O)Nc2c(cccc2)N)Cl	124
+c1cc(ccc1Cl)NC(Nc2c(OCc3c(Cl)cccc3)cccn2)=S	11010
+c1cc(ccc1NC(=O)C)C(CC(=O)OCC)O	2261
+CN(C)C(CC)C(c1ccc(cc1)NC(=O)C)n2ccnc2	4309
+c1cc(ccc1NC(=O)C)C=CC(=O)OCC	11011
+c1cc(ccc1CCC(OCC)=O)NC(=O)C	159
+c1cc(ccc1NC(=O)C)Cc2[nH]c3N(C(NC(c3n2)=O)=O)CCCC	4722
+c1cc(ccc1CCCCO)NC(=O)C	59
+c1cc(ccc1)N(c2ccccc2)c3ccc(cc3)C=Cc4ccc(cc4)C=Cc5ccc(cc5)NC(C)=O	914
+c1cc(ccc1N2C(=O)NCC2)N	106
+c1cc(ccc1N)S(=O)(=O)Nc2cc(Cl)nc(n2)NCC	106
+c1cc(ccc1Sc2c(cc(C)cc2)N)NC(=O)C	0
+c1cc(ccc1N)Sc2n3c(nccc3)nc2	106
+c1cc(ccc1)OC(NC2CC(CN(C2)C(=O)c3cccc(-c4occc4)c3)C(Nc5ccc(cc5)Cl)=O)=O	101
+O=S(=O)(c1ccc(cc1)NCC2CCCC2)C	15
+c1ccccc1CN2CCN(C(=O)c3cccc(-c4occc4)c3)CC2C(=O)Nc5ccc(cc5)Cl	11012
+c1cc(ccc1NC(=O)C2CN(C(=O)c3cc(-c4occc4)ccc3)CCN2)Cl	679
+c1cc(ccc1C)NCCc2cnc(Cl)cc2	15
+c1cc(ccc1NC(=O)NC2(C(=O)N(CC=O)c3ccccc23)CC(Nc4ccc(cc4)C)=O)C	598
+c1cc(ccc1[N+]([O-])=O)N2C(NCCC2)=O	4102
+c1cc(ccc1-c2cc(n3nccc3n2)NCc4c(cc(cc4)Cl)Cl)N5CCNC5=O	1760
+c1cc(ccc1Cl)NC(Nc2c(cccc2)NS(=O)(=O)c3ccccc3)=O	69
+c1ccccc1NC(=O)Nc2ccc(cc2)-c3c(c(cc4ccc(Cl)cc34)CC(=O)O)C	4
+c1cc(ccc1NC(c2n[nH]cc2N)=O)F	209
+c1cc(ccc1Cn2nc(c3cccnc23)CC(O)=O)NC(=O)c4cc5c(cc4)cccc5	4
+c1cc(ccc1NC(=O)c2ccc3c(n(nc3CC)C4CCCC4)c2)C(O)=O	1
+c1cc(ccc1NC(=O)c2ccc3c(n(nc3CC)C4CCCC4)c2)C(NO)=O	2618
+c1cc(ccc1NC(=O)c2ccc3c(n(nc3CC)C4CCCC4)c2)C(NOCc5ccccc5)=O	514
+c1cc(ccc1NC(C(c2ccc(cc2)F)C)=O)-c3cc4nc(nn4cc3)N	2070
+c1cc(ccc1NC(C)CN(C)C)N	0
+c1cc(ccc1NC(=O)C2CC(CN(C(=O)c3cc(-c4occc4)ccc3)C2)N)Cl	18
+c1cc(ccc1N)NC(C2N(CCN(c3cc(Cl)c(cc3)Cl)C2)CC)=O	0
+CC1(C)c2cc(ccc2NC(=O)C1)F	1620
+c1cc(ccc1NC(=O)NC2(CC(=O)O)C(N(c3ccccc23)CC(OCC)OCC)=O)C	3
+c1cc(ccc1NC(=O)C)N2CCNC2=O	1760
+CC(C)C(N1Cc2c(ccc(c2)-c3ccc(cc3)NC(Nc4c(C)cccc4)=S)C1=O)C(O)=O	4
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(N3CCCC(N)c4ccccc34)=O	18
+c1cc(ccc1CC(C(O)=O)NC(=O)C2(CCCC2)CCOC)NC(c3c(Cl)cccc3Cl)=O	4
+c1cc(ccc1NC(=O)c2cc(ccc2OC)N)Br	0
+c1cc(ccc1NC(c2c(F)c(O)ccc2Cl)=O)CC(OCC)=O	5
+c1cc(ccc1NC(c2c(c(OCc3cc(Cl)ccc3)ccc2Cl)F)=O)CC(O)=O	3
+c1cc(ccc1NC(c2c(c3c(cccc3OC)o2)C)=O)-c4ccc(cc4)S(=O)(=O)NC(C(C)C)C(O)=O	4
+c1ccccc1C(Nc2ccc(cc2)CCC(=O)O)=O	159
+c1cc(ccc1NC(c2ccccc2)=O)Cc3cn(C)c4c3cc(cc4)C(=O)O	1
+c1cc(ccc1C)-c2c(cccc2)C(Nc3ccc(cc3)C(=O)N(C)c4c(CO)cccc4)=O	217
+O=S(=O)(Cc1ccc(cc1)NC(c2ncnc(c2)N(CC3CC3)C4CCCCC4)=O)CCC(=O)O	3
+c1cc(ccc1)OCC(c2oc3c(cccc3)c2C)Nc4ccc(cc4)C(=O)O	1
+c1cc(ccc1[N+](=O)[O-])Nc2c3ncn(C)c3nc(Cl)n2	1545
+c1cc(ccc1C(=O)O)NCCCCCC(=NO)CCCCCCCCCC	6
+c1ccccc1OCCCCCCCCCCCNc2ccc(cc2)C(=O)O	6
+c1cc(ccc1NCCCN2CCN(CC2)C)N	0
+c1cc(ccc1N)NCCc2cnccc2	0
+c1cc(ccc1NCc2c(C)oc(c2)C(=O)O)-c3ccccc3	1
+c1cc(ccc1NNC=O)N	0
+c1cc(ccc1NS(=O)(=O)C)-c2nn3c(nnc3Cc4ccc(cc4)Cl)cc2	2736
+c1cc(ccc1NS(=O)(=O)C)C(N)C	840
+c1cc(ccc1CO)NS(=O)(=O)C	217
+c1cc(ccc1NS(=O)(=O)CC)Cc2c(nc3c(ccc(OCC(O)=O)c3c2OC(F)F)F)CC	4
+O=S1(=O)CCCN1c2ccc(cc2)-c3c(c4ccc(OC)cc4n3CC)C#N	2442
+O=S1(=O)CCCN1c2ccc(cc2)[N+]([O-])=O	2442
+O=S(=O)(c1c(cccc1)N)Nc2ccc(cc2)OC	0
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3c(N)n4c(c(C(=O)O)cn4)nc3	6
+c1cc(ccc1CCN)NS(=O)(=O)c2ccccc2	102
+c1cc(ccc1Cc2ccccc2)Nc3c(CO)cnc4ccc(cc34)Cl	351
+c1cc(ccc1Cl)-n2c(-c3c(cccc3)F)nc4c2nc(C)nc4Cl	11013
+c1cc(ccc1Nc2ncccc2N)Cl	13
+c1cc(ccc1Nc2c(N)cnc(Cl)n2)I	193
+c1cc(ccc1OC)Nc2c(N)cnc(Cl)n2	193
+c1cc(ccc1OCC)Nc2nc(Nc3cnn(CCn4nccc4)c3)ncc2N	193
+c1cc(ccn1)-c2c3c(nc(nc3[nH]c2)Nc4ccc5c(CCC(=O)N5C)c4)Nc6ccc(cc6)F	392
+c1cc(ccc1Oc2ccccc2)Nc3c4c(cc(OC)c(c4)N)ncn3	0
+c1cc(ccc1Nc2nn(c3ccnc(O)c23)C(CC#N)C)S(=O)(=O)N(C)C	700
+c1cc(ccc1Nc2c3cc(-c4ccco4)ccc3nc(n2)-n5c6c(c(C(=O)CCC(=O)O)c5)cc(Br)cc6)OC	4
+c1cc(ccc1Nc2c3n(ccn3)cc(Br)n2)C(O)=O	6
+c1cc(ccc1Nc2cc(nc(C3CC3)c2)-c4cc(Cl)ccc4)CCO	44
+c1cc(ccc1Nc2cccc(c2)O)N	0
+c1cc(ccc1Nc2ccccn2)Oc3ncccc3C(=O)O	6
+c1cc(ccc1Nc2c3c(cccc3)nc(n2)-c4cccc(O)n4)Cl	104
+c1cc(ccc1C(O)=O)Nc2nc(Cl)ccc2C(=O)N	1
+c1cc(ccc1P(C)(C)=O)Nc2nc(nc3n(C=Cc4c(C)cccc4C)cnc23)-n5ccnc5	937
+c1cc(ccc1Nc2nc(N3CCOCC3)nc4CCCc24)C5(CCC5)CO	21
+c1cc(ccc1Nc2nc(N3CCOCC3)nc4CCCc24)C5(CCC5)C(O)=O	4
+c1cc(ccc1Nc2ncc(F)c(Nc3c(cccc3)C(=O)NC(C)C)n2)CO	217
+c1cc(ccc1Nc2nc(c3c([nH]cc3)n2)Nc4cc5c(cnn5C)cc4)C(=O)N	392
+c1cc(ccc1Nc2cc(N(C)C)nc(NCCc3ccccc3)n2)C	15
+CC(C)NC(=O)c1ccccc1Nc2nc(Nc3ccc(cc3)C=O)ncc2F	39
+c1cc(ccc1CCN)Nc2ncc(cc2)C(=O)N	51
+c1cc(ccc1CO)Nc2ncc3c(ccc(c3)-c4ccncc4)n2	41
+C1C(C)N(C(CN1c2nccc(-n3cnc(Nc4ccc(cc4)C(O)=O)n3)c2)C)C(=O)C	6
+c1ccccc1-c2cc(Nc3ccc(cc3)CC(C4CO4)NC(C)=O)ncn2	2080
+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(OCC)c(cc34)N	0
+c1cc(ccc1Nc2nc3cc(Oc4ccnc5c4sc(-c6ccc(cn6)CN7CCCC7=O)c5)ccc3o2)Cl	680
+c1cc(ccc1Nc2oc3c(n2)cc(cc3)O)Cl	818
+c1cc(ccc1O)-c2c(CC)c(-c3c(cc(O)cc3)F)cnc2N	5
+C1CC(CCN1)(C)NC(=O)c2c3c(C)nn(c3nc(-c4ccc(cc4)O)c2)C5CCCCO5	25
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4cc(ccc4)O	11014
+c1cc(ccc1O)-c2cn(c3cc(ccc23)-c4cccc(c4)N)-c5ccncc5	0
+c1cc(ccc1OCc2cccc(c2)C(OC)=O)-c3nnc(CNC(=O)C(O)CCCCCCc4ccc(nc4)F)s3	22
+c1ccccc1COc2ccc(cc2)C#N	22
+c1cc(ccc1C#N)Oc2ccccn2	1237
+C12C(CN(C1)CCC(c3ccc(cc3)O)O)CC(C2)(O)c4ccccc4	74
+c1ccccc1C(c2ccccc2)CN(Cc3c(Cl)c(C(F)(F)F)ccc3)CCCOc4ccc(cc4)C(=O)OC	20
+c1ccccc1COc2ccc(cc2)C(C(O)=O)O	22
+c1cc(ccc1)-c2cc(nc3ccccc23)-c4ccc(cc4)O	11015
+c1cc(ccc1C(CCc2cc(OC)c(cc2)O)=O)O	2301
+c1cc(ccc1O)-c2nc3n(cc(cc3)Br)c2	440
+C1(=O)c2ccccc2C(=O)N1C3CCC(CC3)Oc4ccc(cc4)C(OCC)=O	20
+c1cc(ccc1C(OCC)=O)Oc2ccccn2	1237
+c1cc(ccc1O)C(c2ccc(cc2)O)=C(CC)c3ccc(cc3)OCC(=O)O	3
+c1cc(ccc1C(c2ccc(cc2)O)=C(c3ccc(cc3)OCC(OCC)=O)CCCC)O	1051
+c1cc(ccc1C2CCC(CC2)O)O	100
+c1cc(ccc1OC)C=2OC(C)(C)C(C=2c3ccc(cc3)OCc4nc5ccccn5c4Cl)=O	2303
+c1cc(ccc1OCc2nn3ccnc3cc2)C4=C(OC(C)(C)C4=O)c5ccc(cc5)OC	412
+c1cc(ccc1C=C(C)C(O)=O)O	11016
+c1cc(ccc1CC(=O)OC)OCc2ccccc2	22
+c1cc(ccc1OCc2ccccc2)CC(C(=O)OCC)O	22
+c1ccccc1COc2ccc(cc2)CCC#N	22
+c1cc(ccc1)COC(=O)CCc2ccc(cc2)O	283
+c1cc(ccc1O)CCCCO	21
+c1cc(ccc1OCc2ccccc2)CCCCO	22
+c1cc(ccc1O)CCNc2nccc(n2)-c3cc(ccc3)C=O	1054
+c12ccccc1nc3c(cccc3)c2C(=O)Oc4ccc(cc4)CCOS(=O)(=O)c5ccc(cc5)C	1039
+c1cc(ccc1O)CNCc2ccc(cc2)-c3c(cc4c5n(cnn5)ccc4n3)-c6ccccc6	11017
+c1cc(ccc1F)OC(Cc2ccc(cc2)OCc3ccccc3)C(OCC)=O	3319
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCCOc5ccc(cc5)F	20
+c1cc(ccc1)C(CC)=C(c2ccc(cc2)OCOC)C(Nc3ccc(cc3)O)=O	4538
+c1cc(ccc1C)Sc2ccnc(n2)Nc3ccc(cc3)O	55
+c1cc(ccc1O)Nc2sc3c(cccc3)n2	11018
+c1ccccc1COc2cc(I)ccc2C=Nc3ccc(cc3)O	457
+c1cc(ccc1Nc2ncnc(c2)Cl)O	73
+c1cc(ccc1N)Oc2c(cccn2)-c3ccnc(C)c3	1605
+c1cc(ccc1N)Oc2ncnc3ccn(c23)C	1438
+c1cc(ccc1NCCCCBr)O	15
+c1cc(ccc1O)OC(=O)c2ccc(cc2)OCCCCOC(C=C)=O	852
+c1cc(ccc1OCC(C#N)(CCCC)C)O	450
+c1cc(ccc1O)OCC(Nc2ccccc2)=O	648
+c1cc(ccc1OCCOC(=O)C=C)C(=O)Oc2ccc(cc2)OC(c3ccc(cc3)OCCCCOC(=O)C=C)=O	5035
+c1cc(ccc1OCCNc2ccccc2)O	15
+c1cc(ccc1O)Oc2ccccc2N	0
+c1cc(ccc1SCCCO)OCc2ccccc2	22
+c1cc(ccc1O)OC(=O)C(C)(C)CCCCCC	16
+c1cc(ccc1CO)OC(=O)C(C)=C	41
+c1cc(ccc1O)-c2occn2	173
+c1cc(ccc1C(=Cc2cc(c(F)cc2)C)C(=O)O)O	173
+c1cc(ccc1OC(=O)C)CO	41
+c1cc(ccc1)N(C)C(=O)Oc2ccc(cc2)N	0
+C(N1c2c(ccc(c2)-c3nc(cs3)C(=O)OCC)CC1)(Nc4sc5c(cccc5)n4)=O	2143
+c1cc(ccc1OC(C)C(=O)OC)O	173
+c1cc(ccc1CCC)OC(C)C(=O)O	3
+c1cc(ccc1OC(C(Nc2scc(CC(=O)O)n2)=O)CC3CCCCC3)OC	3
+c1cc(ccc1C2CC2)OC(C(O)=O)=CC	127
+CC(C)Oc1ccc(cc1)-c2ccc(c(c2)N)O	0
+c1cc(ccc1OC(C)C)-c2nc(c(o2)C)COc3cc(C)c(CC(C(O)=O)OCC)cc3	4
+c1cc(ccc1OC(C)C)Cc2c(n[nH]c2C)OC3OC(C(C(C3O)O)O)CO	59
+c1cc(ccc1[N+]([O-])=O)OC(OC(C)C(NC2c3c(-c4c(NC2=O)cccc4)cccc3)=O)=O	3473
+c1cc(ccc1OC(NCc2ccc(S(=O)(=O)c3ccccc3)cn2)=O)[N+]([O-])=O	101
+c1ccccc1[Si](c2ccccc2)(OCC(C)(C)CNC(=O)Oc3ccc(cc3)[N+]([O-])=O)C(C)(C)C	101
+c1cnccc1CNC(Oc2ccc(cc2)[N+]([O-])=O)=O	101
+c1cc(ccc1O)C=CC(OCCCCCCCl)=O	11019
+c1cc(ccc1-c2cc([nH]n2)C=O)OC	178
+c1cc(ccc1OC)-c2c(-c3ccccc3OC)oc4ncnc(NCCCCCC(=O)O)c24	4
+c1cc(ccc1OC)-c2c(cc(cc2)Cc3c(c(c(OC)c(c3C)OC)OC)OC)C(O)=O	1
+c1cc(ccc1-c2c(C)nc(c(C#N)c2)O)O	5
+c1cc(ccc1OC)-c2c(C(O)=O)cc(cc2)CC3=C(C)C(C(=C(OC)C3=O)OC)=O	1450
+c1cc(ccc1-c2c(cnc(N)n2)C3=NN(C(C)C)C(=O)C=C3)O	5
+C1CN(CCC1c2nc(c(-c3ccc(cc3)OC)n2CC(=O)O)-c4ccc(cc4)OC)C(=O)N(C)O	4
+c1cc(ccc1-c2oc(OC)nc2-c3ccc(cc3)OC)O	16
+c1cc(ccc1O)-c2c3ccccc3c(Br)cc2	5
+c1cc(ccc1-c2c3c(ncnc3n(C(C)C)c2)N)O	5
+c1cc(ccc1OC)-c2c3c(oc2-c4ccccc4F)ncnc3NCCCCCC(=O)O	4
+c1cc(ccc1OC)-c2c(OC)ccc(CN)c2	18
+c1cc(ccc1CC2SC(NC2=O)=O)Oc3cccc(-c4ccc(cc4)OC)c3	534
+c1cc(ccc1-c2cc3NC(=O)Cc3cc2)OC	11020
+c1ccccc1Cn2c3ccc(-c4ccc(cc4)O)cc3c(C)c2C	5
+c1cc(ccc1O)-c2ccc(c(F)c2)-c3ccc(cc3)CCC	5
+c1cc(ccc1OC)-c2ccc(cc2)-c3nc(CCOc4ccc(cc4)OC(C)(C)C(=O)O)c(C)o3	3
+c1ccccc1-c2c(c3cc(ccc3n2C)-c4ccc(cc4)O)C	5
+c1cc(ccc1-c2oc(nc2)-c3cccc(-c4oc(nn4)Cc5ccc(cc5)C(=O)OC)c3)OC	1705
+c1cc(ccc1OC)-c2nc(N(CCCOc3ccc4c(ccn4CC(=O)O)c3)C)c(F)cn2	4
+c1cccc2c1C(=O)N(C2=O)CCOc3ccc(cc3)-c4oc(nc4-c5ccc(cc5)OC)OC	896
+c1cc(ccc1OC)-c2nn3ccc(Cl)cc3c2C(=O)C#C	2344
+c1cc(ccc1O)-c2c(c(N)sn2)C	5
+c1cc(ccc1-n2c3ccccc3nc2-c4c(noc4)CC)O	5
+CCC(CC)C(N)c1n(-c2ccc(cc2)OC)ncc1	18
+c1cc(ccc1-n2nc(c3c(cc(nc23)C)C(Nc4c(C)nccc4C)=O)C)O	5
+c1cc(ccc1-n2c(ccn2)N)OC	2257
+c1cc(ccc1OC)-c2cc3n(ccc(Cl)c3)n2	3169
+c1cc(ccc1CN2c3c(C(=O)N(C2=O)CC(=O)c4ccc(cc4)O)cc(s3)CC)-c5c(C#N)cccc5	5
+c1cc(ccc1OC)-c2oc(c(CC=C)n2)C	11021
+c1cc(ccc1-c2nnc(o2)Cc3cc4sc(C(OCC)=O)cc4cc3)OC	877
+c1cc(ccc1OC)Cc2c(ccc(c2)I)Cl	394
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)OC	11022
+c1cc(ccc1OC)C(=O)c2ccc(cc2)OCC(O)=O	4
+c1cc(ccc1OCC(O)=O)C(c2ccc(cc2)OC)O	488
+c1cc(ccc1C(=O)c2ccc(cc2)O)OCCCl	5
+CC(C)(C#CC(c1ccc(cc1)OC)=O)O	3145
+c1cc(ccc1OC)C(Cc2cc(ncc2)NC(=O)c3ccccc3)=O	330
+c1ccccc1CCCNC(=O)c2ccc(cc2)OC	93
+c1cc(ccc1C(c2c(Cc3ccccc3)sc4ccccc24)=O)OC	11023
+c1cc(ccc1Cc2c(cc(c(c2)Br)OCC=C)Cl)OC	452
+c1cc(ccc1Cc2cc(ccc2Cl)Br)OC	394
+c1cc(ccc1OC)C(=O)c2c(OC)cc(OC)c(c2)CCC(O)=O	4
+c1cc(ccc1OC)Cc2cc(ccc2OCc3ccccc3)OC	452
+c1cc(ccc1OC)C(c2ccc(cc2)OC)(OCc3cc(CF)cc(c3)CN)c4ccccc4	18
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CC#N	11024
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CCN	51
+c1cc(ccc1C2CCOCC2)OC	564
+c1cc(ccc1C=2C=CC(N(C=2)Cc3c(cc(Cl)cc3)F)=O)O	5
+c1cc(ccc1O)C=Cc2cccc(I)c2	5
+c1cc(ccc1CNOC)OC	1059
+c1ccccc1COC(NC2CCN(C3C(CC(CC3)NCc4ccc(cc4)OC)NC(C)=O)C2=O)=O	42
+c1cnccc1CN2CCN(CC2)c3c4c(ncc3Br)[nH]c(-c5ccc(cc5)OC)n4	2671
+c1cc(ccc1CC(=O)N2C(OCC2Cc3ccccc3)=O)OC	1840
+c1cc(ccc1O)CCCC(=O)O	5
+c1cc(ccc1OC)CCC=O	24
+C1CCCC1N2C(c3cc(OC)ccc3CC2)=O	11025
+O=S(=O)(c1ccc(cc1)Br)N(Cc2ccc(cc2)OC)C	11026
+c1cc(ccc1COC(=O)C2N(CC(O)C2)C(OCc3ccc(cc3)[N+](=O)[O-])=O)OC	11027
+O=S(=O)(Nc1nccs1)c2ccc3N(c4ccccc4C(O)CO)CCOc3c2	11028
+c1cc(ccc1CN2C(C(Cl)=C(C(OC)=O)C(=C2)C(O)=O)=O)OC	127
+CC1(C)CC(CC(N1)C(C)O)=O	11029
+c1cc(ccc1OCCC2NC(=O)N(C2)Cc3cc(C)c(C)cc3)OC(C)(C)C(OCC)=O	5068
+C1(CC(N)CC1)Oc2cc3c(c(ncc3)O)cc2	11030
+c1cc(ccc1CN2CC(CC2=O)C(O)C)OC	100
+c1cc(ccc1CN2CC(CCC2)CCCC)OC	1571
+c1cc(ccc1OC)CN2C(=O)C(Br)=CC(CO)=N2	11031
+CCOC(c1c(O)nc2c(cc(F)cn2)c1Cl)=O	11032
+N#Cc1c(O)nc2c(cc(F)cn2)c1Cl	11033
+CCOC(c1c(N)cc(Cl)nc1)=O	4316
+c1cc(ccc1OC)CNc2nccc([N+]([O-])=O)c2	174
+c1cc(ccc1OC)CNc2c(cnc(Nc3ncc(C#N)nc3)c2)N	13
+c1cc(ccc1OC)CNc2nc(ccc2)CCCCC(=O)OCCCC	587
+n1cc2c(cc1N)c(ncn2)Nc3ccc(F)c(Br)c3	755
+C(c1cccc(F)c1)n2ncc3cc(ccc23)Nc4c5cc(ncc5ncn4)N	755
+C(#C)c1cc(ccc1Cl)Nc2c3cc(ncc3ncn2)N	755
+c1c(ccc(Br)c1Cl)Nc2c3cc(ncc3ncn2)N	755
+Nc1nccc(c1)[N+](=O)[O-]	755
+C=CCOP(OCC=C)(=O)OCc1c(ccc(F)c1)C(=O)O	11034
+c1cc(ccc1)C(=O)OCC(=C)CCOCc2ccc(cc2)OC	11035
+c1(cc(cc(Br)c1OCc2ccc(cc2)OC)C(C=C)=O)Br	11036
+c1cc(ccc1OC)COc2c(c3c(cc2OCc4ccc(cc4)OC)N(CC)C=C(CO)C3=O)Cl	11037
+c1cc(ccc1COc2c(Cl)c3C(=O)C(C=O)=CN(c3cc2OCc4ccc(cc4)OC)CC)OC	11038
+c1cc(ccc1COc2c(O)ccc(c2)C=O)Cl	686
+c1c(Cl)c(OCc2cccc(F)c2)ccc1Nc3ncnc4cccc(c34)O	686
+c1cc(ccc1COc2cc(C(C(C)C)=O)c(-c3c(ccc(OC)c3)F)cc2)OC	155
+c1cc(ccc1COc2cc(c(-c3cc(OC)ccc3F)cc2)C=O)OC	39
+c1cc(ccc1OC)COc2c3n(cc(c2)N4C(=O)C=CC=C4)cc(n3)C	5092
+c1cc(ccc1S(=O)(=O)N(Cc2ccc(OCc3ccc(cc3)OC)c(Br)c2)C)F	92
+c1c(c(Nc2cc([N+]([O-])=O)c(cc2)C(=O)c3cc(ccc3C)O)ccc1F)F	686
+O(C(C)c1ccccc1Cl)c2c(sc(c2)-n3cnc4ccc(O)cc34)C(=O)OC	686
+c1cc(ccc1O)Cc2c(NCCCCC)nc(N)nc2C	5
+c1cc(ccc1O)Cc2c(ccc(c2)I)Cl	5
+c1cc(ccc1OC)Cc2cc(ccc2O)OC	16
+c1cc(ccc1Cc2ccc(cc2)-c3occn3)O	5
+c1cc(ccc1OC)Cc2nc(O)c(nn2)C(NC(C(CCCc3ccccc3)C(=O)C)=O)C	2299
+c1cc(ccc1OC)Cc2nc(O)c(C(C)NC(C(CCCc3ccccc3)C(C)O)=O)nn2	9
+O=S(=O)(Nc1cccc(c1)-c2n[nH]cc2-c3nc(N)ncc3)c4cc(ccc4F)F	1613
+c1cc(ccc1OC)Cn2nc(c(-c3ccnc(N)n3)c2)-c4cccc(N)c4	0
+c1cc(ccc1OC)Cn2cc(-c3nc(Nc4ncccn4)sc3)c(n2)Br	11039
+c1cc(ccc1OC)Cn2cc(C(O)=O)cn2	6
+C1CC1c2nc3c(c(C(OCC)=O)c2)cn[nH]3	4274
+c1cc(ccc1OC)Cn2nnc(-c3cc(C(=O)NCc4ccc(cc4)C(O)=O)ccc3)n2	1
+c1cc(ccc1N(C)c2nc(C)nc3c2cccc3)O	5
+c1c2c(ccc1)C(=O)N(C2=O)Cc3nc4ccccc4c(n3)N(C)c5ccc(cc5)OC	2884
+c1cc(ccc1OC)N(C)c2c3ccccc3nc(n2)CNC(=O)Oc4ccccc4	101
+c1cc(ccc1O)N2C(=O)C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)N=C2CC	5
+C1CN(CCN1c2ccc(cc2)O)c3ccc(cc3)N	5
+c1cc(ccc1OC)N2CCN(CC2)c3ccc(cc3)NC(=O)Oc4ccccc4	90
+c1cc(ccc1OC)N2CCN(CC2)c3ccc(cc3)N	0
+c1cc(ccc1OC)-n2c(-c3conc3CC)nc4ccccc24	11040
+c1cc(ccc1OC)Nc2nc3cnc(C(O)=O)cc3n2CCCN4CCCCC4	6
+c1nc(ncc1Br)Oc2ccc(cc2)OC	893
+CC1(C)Oc2c(C=C1)cc(OC)cc2	1318
+c1ccccc1-c2ccc(N)c(Oc3ccc(cc3)OC)c2	0
+c1cc(ccc1Oc2cc(ccc2)CN)OC	817
+O=S(=O)(N(C)C)c1ccc(cc1)O	5
+c1cc(ccc1OC)S(=O)(=O)N(C(CO)C(OC)=O)Cc2cc(C)ccc2N	0
+c1cc(ccc1S(=O)(=O)N2CCN(CC2)CC(Nc3ccccc3C(=O)N)=O)OC	33
+c1cc(ccc1S(=O)(=O)N2CCc3c2c(cc(Br)c3)N)OC	0
+c1cc(ccc1SC(CC)C)O	5
+c1cc(ccc1SCN2C(N=CC(Cl)=C2)=O)OC	11041
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)N=C=S	1034
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)N	0
+c1cc(ccc1O)Sc2c3c(ccc2)sc(C(OC)=O)c3	5
+c1cc(ccc1C#N)Sc2ccc(cc2)O	5
+c1cc(ccc1-c2cnnc(c2Oc3ccc(cc3)F)O)S(=O)(=O)C	11042
+c1cc(ccc1OCC#CC)C(=O)O	1
+c1cc(ccc1S(=O)(=O)N2C(C(=O)O)C(C)(C)SCC2)OCC#CCCOC3OCCCC3	4
+c1cc(ccc1OCC(O)C)CO	100
+c1cc(ccc1CC(OCC)C(O)=O)OCC(=O)N(Cc2c(cc(F)cc2)F)Cc3ccc(cc3)CC	3
+c1cc(ccc1CC(OCC)C(O)=O)OCC(=O)N(Cc2cccc(OC)c2OC)CCCC	3
+c1cc(ccc1Oc2c(OC)c3c(ccc(Br)c3)nc2O)C#N	11043
+c1cc(ccc1CC(OCC)C(=O)NOC)OCC(O)c2cccc(OC)c2	74
+c1ccccc1C(C(NC(c2ccc(cc2)OCC(C)CCC)CN=[N+]=[N-])=O)C	9
+c1cc(ccc1OCC(CCCCC)c2ccc3c(OCCC3(C)C)c2)C(=O)O	1
+c1ccccc1CNC(COc2ccc(cc2)-c3c(c(CN4C(=O)CCC4=O)nc5c3c6CCS(=O)Cc6s5)Cl)=O	9
+c1cc(ccc1OCC(O)=O)OCCOCCOCCOCCCCCCCCCCCS	1113
+c1cc(ccc1OCC(O)=O)-c2c(C)nc(c(C#N)c2)O	3
+c1cc(ccc1OCC(O)=O)NC(OCc2ccccc2)=O	3
+c1cc(ccc1-c2ccc(cc2)OCC=O)OC(C(=C)C)=O	598
+c1cc(ccc1CC(O)=O)OCC(c2cccnc2C)=O	4
+c1cc(ccc1Cc2c(c3c(OC(C3)C)c(Br)c2)Cl)OCC	394
+c1cc(ccc1OCC)C(C2CCN(CC2)CC(=O)NCc3nc(c4COCCc4n3)O)=O	9
+c1cc(ccc1)CN2C(CN(c3ccc(cc3)OCC)CC2)C(=O)N(c4ccc(cc4)[N+]([O-])=O)CCOC	1834
+c1cc(ccc1Nc2c(cnc(n2)Nc3cn(nc3)CCn4nccc4)[N+]([O-])=O)OCC	486
+c1cc(ccc1OCC2(CCc3c(C)c(OC(C)=O)c(c(C)c3O2)C)C)N	0
+c1cc(ccc1Cl)OCC(c2ccc(s2)Br)(Cn3cncn3)O	1377
+c1cc(ccc1OCC2CC2)-c3cc(NC(Cc4ccccc4)C(=O)O)ncn3	4
+c1cc(ccc1OCC(O)CO)C#N	265
+c1cc(ccc1OCC=2OC=C(C(C=2)=O)O)CC(C)=O	2306
+c1cc(ccc1CCC(=O)O)OCC=C	4
+c1cnn(n1)CCOCc2ccc(cc2)O	1691
+c1cc(ccc1OCCBr)CC2=C(C(Oc3c2ccc(O)c3)=O)c4c(Cl)cc(Cl)cc4	5
+c1cc(ccc1OCCBr)Oc2nc3ccccc3s2	1523
+CC(C)Sc1n(-c2ccc(cc2)OCCCO)nnn1	11044
+C(O)C(CO)CCOc1ccc(cc1)Br	1257
+c1cc(ccc1OCCC(CCC=C)CO)F	44
+c1cc(ccc1)CN2CCC(c3ccc(cc3)OCCC)=CC2	252
+c1cc(ccc1CC(O)=O)OCCC2C(C3CCN(CC3)c4onc(C(C)C)n4)C2	4
+c1cc(ccc1OCCCC(O)=O)C=O	3
+c1cc(ccc1OCCCCC(=O)O)-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2	3
+c1cc(ccc1OCCCCCCCC)-c2ncc(cn2)C(OCC)=O	511
+c1cc(ccc1OCCCCCCCC)-c2ncc(cn2)C(O)=O	6
+C1CC(CCC1c2ccc(cc2)OCCCCCCCCCCCBr)OC(=O)c3ccc(cc3)OCCCCCCCC	279
+c1cc(ccc1OCCCCCCCC)-c2ccc(c(n2)O)CCCCCCCC	11045
+c1cc(ccc1N)OCCCCCCCCBr	0
+c1cc(ccc1C(=O)O)OCCCCCCCCCCCCCC	1
+c1cc(ccc1OCCCCCCOC)N2CCNCC2	526
+c1cc(ccc1CN)OCCCCN(CC)CC	107
+c1cc(ccc1CN)OCCCCN2CCOCC2	107
+c1cc(ccc1OCCCCN)C=Cc2nc3c(C(N(C(N3CC)=O)CC)=O)n2C	18
+c1cc(ccc1OCCCCl)-c2nc(CC(=O)O)co2	4
+c1cc(ccc1OCCCCl)-c2occ(n2)C(O)=O	6
+c1cc(ccc1OCCCCl)-c2nc3c(s2)CCC3C(=O)O	3
+c1cc(ccc1C(=O)O)OCCCN(C)C	1
+c1cc(ccc1OCCCN(C)Cc2nc3ccccc3nc2)N	0
+c1cc(ccc1OCCCOc2ccc(cc2)CC(C(O)=O)OC)OCC(F)(F)C(F)F	3
+c1cc(ccc1OCCCc2[nH]nnn2)CCCCN	102
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN(c3ncccn3)C	534
+c1cc(ccc1OCCN2C(Sc3c2ccc(C(c4ccccc4)=NO)c3)=O)OC(C)(C)C(=O)O	3
+c1cc(ccc1OCCN2CCCC2C)-c3nc(CC(=O)O)co3	4
+c1cc(ccc1OCCN)CC(C)(CCCc2ccccc2)C(=O)OCC	18
+c1cc(ccc1CCC(=O)O)OCCN=[N+]=[N-]	4
+c1cc(ccc1OCCN)[N+]([O-])=O	18
+c1cc(ccc1C(=O)O)OCCOC	1
+c1cc(ccc1OCCOC)C(CC)N	840
+c1cc(ccc1OCCOCCCC)-c2cc3CCCN(C)c3c(C=C(C)C(=O)O)c2	108
+c1cc(ccc1OCCOCCCC)-c2cc3c(cc2)N(CCCC(C(O)=O)=C3)CC(C)=C	127
+c1cc(ccc1OCCOCCCC)-c2cc3c(cc2)N(CCC(C(O)=O)=C3)CC=CC	127
+c1cc(ccc1O)OCCOCCOCCOCCCCCCCCCC=C	173
+O=C(OC)C(C(=O)OC)Cc1ccc(cc1)OCCOc2cc3CCCCc3cc2	11046
+c1cc(ccc1OCCc2ncc(C(C)OCOC)cc2)CC3SC(=O)NC3=O	534
+c1cc(ccc1OC(C)(C)C(=O)O)OCCc2nc(-c3ccc(cc3)-c4cccnc4)oc2C	3
+c1cc(ccc1OCCc2ccc(CO)cn2)[N+]([O-])=O	1262
+c1cc(ccc1N)OCCn2cncc2	0
+c1cc(ccc1OCOC)C(N)CCC	840
+c1cc(ccc1O)C=Cc2nc3c(C(N(C(N3CC)=O)CC)=O)n2C	241
+c1cc(ccc1OCc2c(C(C)C)onc2-c3c(cccc3Cl)Cl)-c4ccc5c(c4)cc(C(O)=O)c(C)n5	6
+c1cc(ccc1OCc2c(C(C)C)onc2COc3c(C)cccc3C)-c4ccc5cc(C(=O)O)ncc5c4	1
+c1cc(ccc1OCc2c(C3CCCC3)onc2C4CCCC4)-c5cc6c(nc(C(=O)O)cc6)cc5	1
+c1cc(ccc1OCc2c(CCc3c(cccc3Cl)Cl)noc2C(C)C)-c4ccc5c(c4)c(C(=O)O)ccc5	1
+c1cc(ccc1OCc2c(CCc3c(cccc3Cl)Cl)noc2C(C)C)-c4ccc5c(c4)cc(C(O)=O)cc5	1
+c1cc(ccc1OCc2c(F)cccc2)CSCCC(O)=O	3
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CO	41
+c1cc(ccc1OCc2c(onc2Cc3c(Cl)cccc3Cl)C(C)C)-c4cc5c(c(ccc5)C(=O)O)cc4	6
+c1cc(ccc1Cl)OCc2ccc(cc2)CNC3=C(Nc4ccncc4)C(=O)C3=O	993
+c1cc(ccc1OCc2ccc(cc2)CN)Cl	18
+c1cc(ccc1Cn2c3c(cccc3)c(CC(=O)O)c2)OCc4ccc5c(n4)cccc5	4
+c1cc(ccc1CC(=O)O)OCc2ccc3ccccc3n2	3
+c1cc(ccc1OCc2cccc(F)c2)N3CC(C#N)CC3=O	143
+c1cc(ccc1O)-c2c3CCCCc3nc4c2cccc4	16
+c1cc(ccc1-c2nn(cc2-c3ccncc3)C)O	16
+c1cc(ccc1OCc2ccccc2)-n3c(-c4ccccc4Cl)nc(C(O)=O)c3C	6
+c1cc(ccc1OCc2ccccc2)C(c3ccc(cc3O)OC)=O	241
+c1cc(ccc1O)C=2C(=O)C(C)(C)OC=2c3ccc(cc3)OC	16
+c1cc(ccc1CC(C(=O)OCC)(C)Oc2cc3c(cc2)nccc3)O	16
+c1cc(ccc1O)CC(OCC)C(OCC)=O	16
+c1cc(ccc1CC(OCCCCCC)C(=O)OC)O	16
+c1cc(ccc1N)N2C(c3ccc(cc3CC2)OC)Cc4ccc(cc4)OCc5ccccc5	0
+c1cc(ccc1CCCCn2c(ncc2)CC(O)CO)O	16
+c1cc(ccc1Cn2c3c(cc2CNC)cccc3)O	16
+c1ccccc1-c2cn(Cc3ccc(cc3)OCc4ccccc4)cc2C=O	200
+c1cc(ccc1O)OC2CCNC2=O	16
+O=S(=O)(c1ccc(cc1)O)NCC(N2CCCCC2)C(=O)OC	16
+c1cc(ccc1OCc2ccccn2)C(=O)O	6
+Cc1cccc(C)c1-c2nn3cc(COc4ccc(cc4)C(C#CC)CC(=O)O)ccc3n2	3
+c1cc(ccc1OCc2nc(sc2)N)CCCCn3ccnn3	1176
+c1cc(ccc1OCc2cscc2)CC[N+](=O)[O-]	364
+c1cc(ccc1OCc2nc3c(cccc3C)n2CCC(C)C(=O)O)Cl	3
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CNO	1059
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CC(OCCCCCC)C(O)=O	4
+c1cc(ccc1Oc2c(-c3ccccc3)c(C)cc4cc(ccc24)OC)OCCCC(O)=O	3
+c1cc2c(oc3c2cc(C#N)cc3)c(c1OC)C(C)CC	5082
+c1cc(ccc1N)Oc2c(Cl)ccc(c2)F	0
+c1cc(ccc1C#N)Oc2c(O)nc3ccc(Br)cc3c2O	5
+c1cc(ccc1OC)Oc2c(N)cc(F)c(Br)c2	0
+c1cc(ccc1C(=O)NCCOC)Oc2ccc(Cl)cc2N	0
+c1cc(ccc1O)Oc2c([N+](=O)[O-])cccc2	173
+c1cc(ccc1F)Oc2cccc(C(OC)=O)c2N	0
+c1cc(ccc1CN)Oc2c(cc(Br)cc2)Cl	817
+c1cc(ccc1F)Oc2c(C(=O)O)cc(cn2)F	1
+c1cc(ccc1-c2noc(c2)C#N)Oc3c(ccc(F)c3)Br	11047
+c1cc(ccc1Oc2cc(ccc2N)N)C=C	0
+c1cc(ccc1Oc2ccnc3c2ncc(c3)OC)Nc4nnc(c5c4cccc5)-c6sc(c(C)c6)C	1443
+c1cc(ccc1Oc2c3cc(c(OCCOC)cc3ncc2)C#N)N	0
+c1cc(ccc1NC(NC(=O)Cc2ccccc2)=S)Oc3ncnc4nc[nH]c34	3704
+c1cc(ccc1Oc2ccnc3c2sc(c3)C(=O)O)NC(Nc4cc(ccc4F)C)=O	1
+O=S(=O)(NC)Cc1ccc(cc1)Oc2nc(nc(c2)CN)C	421
+c1cc(ccc1Oc2cc(OC3CCN(C)C3=O)cc(C(O)=O)c2)-c4oc(C)nn4	1
+c1cc(ccc1OCC)Oc2cc(ccc2)C(O)=O	6
+c1cc(ccc1N)Oc2cc(Cl)ncn2	0
+c1cc(ccc1F)Oc2cc(cnc2N)Sc3ncccn3	1779
+c1cc(ccc1Oc2cc(ncc2)-c3cc(C(NCCC(O)=O)=O)sc3)NC(Nc4cc(ccc4F)C)=O	4
+c1cc(ccc1Oc2c(cc3C(C(=O)O)(C)CCOc3c2)C#N)C(=O)NCCc4ccc(cc4)Cl	4
+c1ccccc1CCNCc2ccc(cc2)Oc3ccc(C(=O)N4CCCCC4)cn3	42
+c1cc(ccc1Oc2ncc(C(=O)O)cc2)C=O	6
+c1cc(ccc1Oc2cc(C(C)C)c(O)cc2)OCC	16
+C1CC(CCO1)c2ccc(cc2)Oc3c4CCC(c4c(cc3)F)Oc5ccc6c(c5)OCC6CC(OC)=O	191
+c1cc(ccc1Oc2ccc(c3cc(C(=O)OCC)n(C)c23)Cl)N	0
+c1cc(ccc1Oc2ccc(cc2)-c3nc(cc(n3)N(S(=O)(=O)C)CC(CO)O)C(N)=O)F	265
+c1cc(ccc1Oc2ccc(cc2)C)O	1437
+c1cc(ccc1C)Oc2ccc(c(CC=C)c2)O	423
+c1cc(ccc1CCNc2ncc(c(O)n2)Cc3cnc(nc3)OC)Oc4ccc(cc4)Cl	785
+c1cc(ccc1Oc2ccc(cc2)F)S(=O)(=O)NCCc3ccccc3O	5
+c1cc(ccc1F)Oc2cc3cnc(C(=O)OCCCC)c(c3cc2)O	11048
+c1ccccc1Oc2ccc(cc2)CCCC	165
+c1cc(ccc1)Oc2ccc(cc2)-c3c(C#N)c(N)n(C4CC5CC4CN5C(=O)OCc6ccccc6)n3	2356
+C1CC(CCN1)c2ccc(cc2)Oc3ccccc3	191
+c1cc(ccc1Oc2ccccc2)CCN(C3CCN(CC3)Cc4ccc(cc4)C(O)=O)C	1
+c1cc(ccc1Oc2ccccc2)NC(=O)CN3CCN(CC3)C(=O)c4ccc(cc4)C(=O)O	1
+c1cc(ccc1Oc2ccccc2)NC(=O)Nc3cc4c(cn(n4)CCC=O)cc3	571
+c1cc(ccc1)Oc2ccc(cc2)NC(Nc3cc4nc(Cc5ccccc5)n(c4cc3)CCN(C)C)=O	11049
+c1cc(ccc1Oc2c(N)cccc2)-c3cn(c4ncnc(N)c34)C(C)C	0
+c1cc(ccc1Oc2ccccn2)CO	49
+c1cc(ccc1Oc2ccccn2)C(=O)O	1
+c1cc(ccc1Oc2cc(ncc2)-c3csc(c3)C(=O)O)NC(Nc4cc(ccc4F)C)=O	1
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)Oc3ccnc(NC(CCC)=O)c3	90
+c1cc(ccc1O)Oc2nc(ncc2)NC	16
+c1cc(ccc1Oc2ccnc(NCCCO)n2)N	0
+c1cc(ccc1Oc2c3cc[nH]c3ncc2)O	16
+c1cc(ccc1Oc2ccnc3c2sc(C(=O)NCCCC(=O)O)c3)NC(Nc4cc(ccc4F)C)=O	3
+c1cc(ccc1N)Oc2ccnc3cc(OC)cc(c23)OC	0
+c1cc(ccc1Oc2ncc(cc2)C(N)=O)CN3CC(c4ccccc4)CCCC3	48
+c1cc(ccc1Oc2ncc3c(c2)ccc(Cl)c3)O	5
+c1cc(ccc1Oc2ncccc2)-c3nc(on3)-c4ccc(cc4)O	16
+c1cc(ccc1Nc2c3ccccc3c(nn2)-c4cc(cs4)C)Oc5c(cccn5)-c6nc(ncc6)N	1443
+c1cc(ccc1N)Oc2ncnc(N)c2	0
+c1cc(ccc1N)Oc2ncnc(Nc3cccc(OC)c3)c2	0
+c1cc(ccc1N)Oc2ncnc(SC)c2	0
+c1cc(ccc1Oc2ncnc3[nH]c(cc23)C(OCC)=O)N	0
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(C)C)c3[nH]c(C(=S)N)cc3c2	742
+c1cc2c(CCC(=S)N2)cc1Br	199
+c1ccccc1CC(NC(=O)c2nc3c(nc2)cccc3)C(OC(C)=O)CC(CCC(C)(C)F)C(N)=S	199
+c1ccccc1COC(NC(C)C(N)=S)=O	199
+c1ccccc1COc2cc(c(Br)cc2OC)NC(C)=S	199
+c1ccccc1COc2c(OCc3ccccc3)c(C(N)=S)ccc2	581
+c1nc(c2CN(C)C(=S)c3cc(ccc3-n12)F)C(=O)OCC	581
+n1ccnn1-c2ccccc2C(=O)N3C(CCC(C3)C(N)=S)C	199
+s1c(C)ccc1C(N)=S	11050
+c1cc(ccc1S(=O)(=O)C(c2cc(ccc2F)F)CCCCO)Cl	1000
+c1cc(ccc1C(O)CCl)-c2ccc(cc2)S(=O)(=O)C(F)F	74
+c1(F)cccc(F)c1C([N+]#[C-])S(=O)(=O)c2ccc(cc2)C	11051
+c1cc(ccc1S(=O)(=O)C)-c2cc(sc2-c3ccc(cc3)F)N	2415
+c1cc(ccc1S(=O)(=O)C)C(C(=O)Nc2cnc(cn2)CO)Cc3cc(F)ccc3	59
+c1cc(ccc1C(Cc2cc(F)ccc2)C(O)=O)S(=O)(=O)C	4
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3[nH]c(C(O)=O)cc3c2	6
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(cc(C4=NCC(S4)CC(=O)O)[nH]3)c2	3
+c1cc(ccc1S(=O)(=O)C)Oc2cc(c3c(c2)cc(C(OCC)=O)[nH]3)O	321
+c1cc(ccc1S(=O)(=O)C)Oc2cc3c(c(OC(C)C)c2)[nH]c(c3)C4=NCC(CCO)S4	44
+c1cc(ccc1Oc2ccc(cc2)S(=O)(=O)C)N	0
+c1cc(ccc1S(=O)(=O)CCCOc2c(c(c(cc2)C(C)=O)O)CCC)C(CCCCC(O)=O)=O	4
+c1ccc(cc1OC)CC2C(C#N)CCCC2	881
+C1CC(CCC12CCC(CC2)C#N)O	881
+c1cc(ccc1)COc2nn(cc2CC#[N+]CS(=O)(=O)c3ccc(cc3)C)C	5067
+c1cc(ccc1S(=O)(=O)Cc2c(C)oc(-c3ccc(cc3)C(=O)NCc4cnccn4)n2)C	14
+c1cc(ccc1S(=O)(=O)Cc2c(C)oc(-c3ccc(cc3)C(O)=O)n2)C	1
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)c3ccncc3)Cl)C4(CCOCC4)C	69
+O=S(=O)(Oc1cc2c(cc1)nc(Nc3cc(c(cc3)OC)OC)n2Cc4ccccc4)c5ccc(cc5)F	681
+c1cc(ccc1S(=O)(=O)Nc2nncs2)NC(=O)C	1140
+O=S(=O)(Nc1ccccc1C(c2ccccc2)=O)c3ccc(cc3)NC(c4ccccn4)=O	69
+c1cc(ccc1Cl)S(=O)(=O)N(C(C(O)=O)=C)C	127
+c1cc(ccc1S(=O)(=O)N(Cc2ccc(cc2)C(=O)O)C3CCCC(C)C3)Cl	1
+c1cc(ccc1S(=O)(=O)N(C2CCc3c(n4ccccc4c3C2)CC(=O)O)C)F	3
+O=S(=O)(N(CC(C)C)CC(=O)OCC)c1ccc(cc1)O	5
+c1cc(ccc1)C(c2ccccc2)C(Nc3ccc(cc3)S(=O)(=O)N(CC)CC)=O	33
+c12c(C(=O)N(C1=O)CCCN(S(=O)(=O)c3ccc(cc3)C)CC(F)(F)CCO)cccc2	118
+c1cc(ccc1S(=O)(=O)N)-c2cc(ccc2OC)-c3c(c(C)c(C(O)=O)s3)C	1
+C1COCCC1n2nc(c3c(nccc23)O)-c4ccc(cc4)S(=O)(=O)N	104
+c1cc(ccc1S(=O)(=O)N)C(=O)C=Cc2cc(-c3[nH]c4ccccc4c3)c(OC)cc2OC	2292
+c1cc(ccc1-c2c(ncnc2Cl)NS(=O)(=O)c3ccc(cc3)OC)OC	570
+c1cc(ccc1S(=O)(=O)N2CCC(=O)C2)C#N	86
+c1cc(ccc1S(=O)(=O)N2CCC(CC2)(F)C(=O)O)C	3
+c1cc(ccc1CN)S(=O)(=O)N2CCCCC2	107
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)OC)Cc3nc(O)c4c(cccc4)n3	1677
+C1CN(CCO1)S(=O)(=O)c2ccc(cc2)C=Cc3ccc(OCOC)c(O)c3	241
+c1cc(ccc1S(=O)(=O)N2c3c(N)cccc3CC2)OC	562
+c1ccccc1C(Nc2cccc3CCN(S(=O)(=O)c4ccc(cc4)OC)c23)=O	50
+c1cc(ccc1N)S(=O)(=O)N2c3ccccc3SC(C=C2)CCO	106
+c1cc(ccc1-c2ccc(cc2)COc3c(cc4ccccc4n3)C)S(=O)(=O)NC(C(C)C)C(O)=O	4
+c1cc(ccc1CC(OCC)=O)NC(C(Cn2cncc2)NS(=O)(=O)c3ccc(cc3)F)=O	11052
+O=S(=O)(c1ccc(cc1)Cl)NC2CCCCCC2CO	88
+c1cc(ccc1)CCN2CCC(CC(C)C)(C(CNS(=O)(=O)c3ccc(cc3)OC)C(=O)NO)C2=O	1697
+c1cc(ccc1S(=O)(=O)NCC2=CC(=O)C(=CO2)O)C	2306
+c1cc(ccc1S(=O)(=O)NCC2Cc3c(cc(cc3)CCC(=O)O)C2)Cl	3
+c1cc(ccc1S(=O)(=O)NCC2Cc3c(cc(cc3)CCC(=O)OCC)C2)Cl	159
+c1cc(ccc1S(=O)(=O)NCCCCCCC(C)(C)C(=O)O)Cl	3
+c1cc(ccc1S(=O)(=O)NCCc2cc(CCC(=O)O)cc(c2)Cc3ccc(cc3)F)Cl	3
+c1cc(ccc1S(=O)(=O)NCCc2n(C)c(CC(O)=O)cc2)F	3
+C1COCCN1CCCc2ccc(cc2)S(=O)(=O)NCc3ccc(cc3)C(=O)Nc4cccnc4	213
+c1cc(ccc1S(=O)(=O)Nc2cc(F)c(cc2F)C(O)=O)-c3cnc(nc3)C4CCOCC4	1
+c1cc(ccc1S(=O)(=O)Nc2c(F)cc(cc2F)F)C(O)=O	1
+O=S(=O)(c1ccc(cc1)N)Nc2cc(Br)nc(c2)Br	106
+O=S(=O)(c1ccc(cc1)N2CCOCC2)Nc3ccsc3C(O)=O	1
+c1cc(ccc1C(=O)C=Cc2cc(-c3[nH]c4ccccc4c3)c(OC)cc2OC)S(=O)(=O)Nc5ncccc5	2292
+c1cc(ccc1N)S(=O)(=O)Nc2nncs2	106
+c1cc(ccc1S(=O)(=O)OC(C)COc2c(N)ccc(c2F)F)C	0
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)OCC(=O)O	3
+C1(c2c(C(=O)N1CC3COCC3)cccc2)=O	2140
+CC1(C)OC(Cn2ncc([N+](=O)[O-])c2)CO1	4811
+c1cc(ccc1S(=O)(=O)OCC2Oc3cc(ccc3OC2)O)C	5
+c1cccc2[nH]cc(C=3CCN(CC=3)CC4COc5c(O4)c6c(nc(cc6)C)cc5)c12	11053
+c1cc(ccc1[N+](=O)[O-])OCCOCCOCCOC	450
+c1ccccc1COCCOCCOCCOCCOCCOCCOCCOCCOCCOC	1117
+c1cc(ccc1O)S(=O)(=O)ON=C(C#N)c2cccs2	173
+O=S(=O)(c1ccc(cc1)CN)c2ccccc2	107
+O=S(=O)(c1ccc(cc1)Br)n2c3ccccc3cc2C=O	178
+c1cc(ccc1C)S(=O)(=O)n2c(cc3c(ccnc23)CNCCc4cncn4C)-c5c6c(cc(OC)c(n6)OC)n(C)c5	42
+C1CN(CCO1)CCn2cc(c3nc(c(OC)cc23)OC)-c4[nH]c5ncccc5c4	392
+c1cc(ccc1C)S(=O)(=O)n2c3c(c(C(C)C)c2)cc(Br)cn3	11054
+C1C(C)OC(CN1Cc2nnc(-c3cc(cc4c3cnn4S(=O)(=O)c5ccc(cc5)C)Br)o2)C	1705
+c1cc(ccc1S(=O)(=O)n2c3c(c(c2)C4C(CC=O)C4)cc(C#N)cc3)C	24
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(C#N)ccc23)C4CC4C=C)C	2142
+C1CCCC1NC(=O)C(CC#N)N2Cc3c4c(ncc3Cl)n(cc4C2=O)S(=O)(=O)c5ccc(cc5)C	11055
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(O)c(OC)cc45)C)C	16
+C1CN(CCO1)CCOc2cc3n(C)cc(-c4cc5cccnc5[nH]4)c3cc2OC	392
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(cnc23)-c4cccnc4)C(=O)c5cccc(N)c5)C	0
+c1cc(ccc1S(=O)(=O)n2cc(c3c2cccc3-c4nc5c(CNCC5)c(OC)n4)C)C	25
+c1cc(ccc1S(=O)(=O)n2c3c(cc2)C(c4c(c(N)c(N)cc4)Oc5ccc(cc5F)F)=CN(C3=O)C)C	0
+c1c(ccc(Oc2c(ccc3[nH]nnc23)C=4c5c([nH]cc5)C(N(C)C=4)=O)c1F)F	4061
+c1cc(ccc1Nc2nc(Nc3cc4c(cc3)c[nH]n4)c5c([nH]cc5)n2)N(C(=O)C)C	392
+c1cc(ccc1C)S(=O)(=O)n2cnc(C(c3cc4c(cc(C(=O)NC)cc4)cc3)=O)c2	5061
+c1cc(ccc1C2N(CCC2)CCc3c(C)n[nH]c3C)C=CC(=O)OC	11056
+c1cc(ccc1S(=O)(=O)n2ncc3c(cc(cc23)Br)C(=O)O)C	1
+C1COCCN1Cc2oc(-c3cc(-c4c5c(ccc4)[nH]cc5)cc6c3c[nH]n6)nn2	3119
+c1cc(ccc1S(=O)(=NCCO)C)C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O	44
+c1cc(ccn1)-c2c(-c3ccc(cc3)S)nc4CCCn24	5087
+c12c(cccc1)C(=O)N(C2=O)CCCCCC(c3cc(c(OC)cc3)OC)(Sc4ccc(cc4)C)C#N	1656
+OB(O)c1ccc(cc1)SC	493
+c1cc(ccc1Cc2ccccc2OCc3ccccc3)SC	452
+c1cc(ccc1CC(=O)c2ccc(cc2)C)SC	11057
+c1cc(ccc1Cc2c(nc(NC(C)=O)s2)C=O)SC	11058
+c1cc(ccc1Oc2ccc(cc2)[N+]([O-])=O)SC	415
+c1c(cc2c(C)csc2c1)Br	3148
+C1(=O)c2ccc(C(=O)O)cc2Sc3ccc(cc13)C	358
+c1c(C)ccc2Sc3cccc(c3C(=O)c12)C(=O)O	358
+c1cc(ccc1Sc2ncc(cc2)N)CCC(=O)OC	13
+c1cc(ccc1Cl)Sc2ccc(cc2)CCC(=O)OC	159
+c1cc(ccc1Sc2c(cc(C)cc2)N)O	0
+c1cc(ccc1Sc2ccccc2)CCCC(O)=O	165
+c1cc(ccc1)Sc2cc3c(cc2)CCCC3=O	214
+c1cc(ccc1C(=O)c2nc(Cl)c3c(scc3)n2)F	2329
+c1cc(ccc1OC)C(c2cc(ccc2OCc3ccccc3)OC)O	704
+c1cc(ccc1Oc2ccccc2)-c3c(C#N)c(Cl)cc(-c4ccc(cc4)N)n3	0
+c1cc(ccc1N)-c2cc(n3nccc3n2)NCc4c(cc(cc4)Cl)Cl	0
+c1cc(ccc1-c2nc3ccc(cn3c2)I)N	0
+c1cc(ccc1-c2nc(-c3c(C)sc(c3)C(=S)OC)sc2)N	0
+C12COCC(CC1)N2c3nc(-c4ccc(cc4)N)nc(NC(C)C)c3	0
+c1cc(ccc1N)-c2nc(c(cn2)OC)N3CCOCC3	0
+c1cc(ccc1N)-c2ncon2	0
+c1cc(ccc1-c2n(nnn2)C)N	0
+c1cc(ccc1N)-c2occ(-c3cc(Cl)ccc3)n2	0
+c1cc(ccc1N)C(N(C)C)=O	0
+c1cc(ccc1N)C(NCCCn2ccnc2)=O	0
+c1cc(ccc1C(C(OCC)=O)=O)N	0
+c1cc(ccc1C(C)(C)CN)[N+](=O)[O-]	51
+c1cc(ccc1N)C(C)(C)C#N	0
+c1cc(ccc1[N+]([O-])=O)C2OC2	3146
+c1cc(ccc1[N+](=O)[O-])-c2cn3c(ccc(c3)I)n2	440
+c1ccccc1-c2nc(-c3ccc(cc3)[N+](=O)[O-])no2	2304
+c1ccccc1COC(c2ccc(cc2)[N+](=O)[O-])=O	470
+c1cc(ccc1Cc2cc3CC(Nc3cc2)=O)[N+]([O-])=O	394
+c1cc(ccc1N)C2(C(=O)c3c(cc(Cl)cc3NC2=O)Cl)C	0
+C1CS(=O)(=O)CCC1(c2ccc(cc2)N)C#N	0
+c1cc(ccc1N)C23CN(CC2C3)C(C)=O	0
+c1cc(ccc1C2=CC(c3c(O2)ccc(c3)OC)=O)N	0
+c1cc(ccc1C2=CC(c3c(ccc(Br)c3)O2)=O)N	0
+c1cc(ccc1C=2c3cc4c(OCO4)cc3CC(=O)NN=2)N	0
+c1cc(ccc1C=Cc2cnc(OCCOCCOCCO)cc2)N	0
+c1cc(ccc1CN2c3c(NC4C(CCC4)C2=O)cccc3)N	0
+c1cc(ccc1N)N2C3CCN(C)C3CC2	0
+c1cc(ccc1NC(N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2)=O)N	0
+c1cc(ccc1NS(=O)(=O)C)N	0
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(=O)Oc2ccc(cc2)[N+](=O)[O-]	385
+c1cc(ccc1[N+](=O)[O-])OC(=O)C(C)=Cc2c(cccc2)N	11059
+c1cc(ccc1)COc2cc3nccc(Oc4ccc(cc4)[N+](=O)[O-])c3cc2	242
+c1ccccc1COc2c(cc3c(nccc3Oc4ccc(cc4)[N+]([O-])=O)c2)C#N	242
+c1cc(ccc1OC(=O)N(C)c2ccccc2)[N+]([O-])=O	2047
+c1cc(ccc1Oc2cc(Cl)ncn2)[N+]([O-])=O	185
+c1cc(ccc1OCCOCCOCCOC)N	0
+c1cc(ccc1[N+](=O)[O-])OCCOCCOCCOCCN	18
+c1cc(ccc1N)Oc2c3c(cc(OCC(O)C)cc3)ncc2	0
+c1cc(ccc1Oc2cc(OC)c(C)cc2)N	0
+c1cc(ccc1N)Oc2ccc(C)c(NC(c3cccc(C(C)(C)C#N)c3)=O)c2	0
+c1cc(ccc1N)Oc2ccc3COCc3c2	0
+CC(C)C(NC(c1ccc(-c2ccc(cc2)N)cc1C)=O)C(OC)=O	0
+c1cc(ccc1[N+]([O-])=O)-c2ccc(c(c2)C)C(O)=O	1
+c1cnccc1-c2ccc(cc2)N	0
+c1cc(ccc1Cc2ccc(cc2)[N+]([O-])=O)F	394
+c1cc(ccc1C(C(=O)O)C)N	0
+c1cc(ccc1[N+]([O-])=O)C(CO)CC	21
+c1cc(ccc1C(c2ccc(cc2)Cl)c3sccn3)N	0
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)N	0
+C1C(=O)NC(CC1c2ccc(cc2)N)=O	0
+c1cc(ccc1N)C2C(C2)C(=O)O	0
+C1CC1(c2cccc(c2)C(C)C)N3C(=O)OC(C3)C(NC(=O)C)Cc4ccc(cc4)N	0
+c1cc(ccc1CCN2C(=O)OCC2)N	0
+c1cc(ccc1[N+]([O-])=O)CCN2C(=O)OCC2	11060
+c1cc(ccc1N)CCS(=O)(=O)N(C)C	0
+c1cc(ccc1N)CN(C2CCN(CC2)CCC(C)C)C(=O)c3ccc(cc3)CCCCC	0
+c1cc(ccc1N)CN2C(CCc3c(ccc(OC)c23)CC4SC(NC4=O)=O)=O	0
+c1cc(ccc1[N+]([O-])=O)CN2C(CCc3c(ccc(OC)c23)CC4SC(NC4=O)=O)=O	534
+N(C=O)c1scc(C(=NOCCCC)C(=O)NC2C(=O)N3C2SCC(Cl)=C3C(=O)O)n1	1783
+c1cc(ccc1[N+]([O-])=O)COC(=O)C=2N3C(SCC=2O)C(C3=O)N	5093
+O=C(NC1C(N2C1SCC=C2C(=O)O)=O)C(=NO)c3csc(N)n3	1783
+C1CC(CCC1)ON=C(c2nc(NC=O)sc2)C(=O)NC3C(=O)N4C3SCC=C4C(O)=O	1783
+N(C=O)c1scc(C(=NOCC(OCC)=O)C(=O)NC2C(N3C2SCC=C3C(=O)O)=O)n1	1783
+c1cc(ccc1[N+]([O-])=O)COC(C=2N3C(SCC=2)C(N)C3=O)=O	5093
+CC(C)CON=C(C(NC1C(=O)N2C1SCC=C2C(O)=O)=O)c3csc(NC=O)n3	1783
+c1cc(ccc1Cc2c(c(ccc2)Cl)Cl)N	0
+c1cc(ccc1N)Cc2cn(C)c3ccc(C(=O)OC)cc23	0
+c1cc(ccc1N)Cc2nc(C)c(CC(OC)=O)c(n2)N3CCCC3	0
+c1cc(ccc1[N+]([O-])=O)Cn2c3c(cc(Br)cc3)cc2C(=O)OCc4ccccc4	470
+c1cc(ccc1[N+]([O-])=O)Cn2c(C(=O)O)cc3cc(ccc23)Br	6
+c1cc(ccc1N)Cn2c3c(c(n2)CC(=O)OC)cccn3	0
+c1cc(ccc1[N+]([O-])=O)-c2ccncc2	2036
+c1cc(ccc1N(C(=O)CC)C)N	0
+c1cc(ccc1N)N(C)c2nc(C)nc3c2cccc3	0
+c1cc(ccc1N2CCN3C(CCC(COc4ccc(cc4)F)C3)C2)N	0
+c1cc(ccc1N2CCC(N)C2)[N+]([O-])=O	524
+c1cc(ccc1N)Nc2nc(c(cn2)Br)Nc3ccccc3	0
+c1cc(ccc1OC(C)C(=O)O)[N+]([O-])=O	4
+c1cc(ccc1N)OC(C)CCN2CCOCC2	0
+c1cc(ccc1OC(F)(F)C)N	0
+c1cc(ccc1OCC2(Oc3cc(Cl)c(cc3C(C2)=O)OC(C)=O)C)N	0
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(O)=O	4
+c1cc(ccc1OCCCN(C)Cc2nc3ccccc3nc2)[N+]([O-])=O	183
+c1cc(ccc1OCCOCOCCOC)N	0
+c1cc(ccc1N)Oc2c(ccc(F)c2)F	0
+c1cc(ccc1N)Oc2c3ncn(C4OCCCC4)c3ncn2	0
+c1cc(ccc1Oc2cc(C(=O)O)ccc2)N	0
+c1cc(ccc1[N+]([O-])=O)Oc2cc(C(=O)O)ccc2	6
+c1cc(ccc1Oc2cc(ccc2)C(NC)=O)N	0
+c1cc(ccc1N)Oc2ccc(cc2)-c3occn3	0
+c1cc(ccc1N)Oc2cccc(S(=O)(=O)NC)c2	0
+c1cc(ccc1N)Oc2ccnc(C(=O)NCC3CC3)c2	0
+c1cc(ccc1Oc2ccnc(NC(CCC)=O)c2)N	0
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)Nc2c(cccc2)Cl	69
+c1ccccc1-c2cc(ncn2)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O	2165
+O=S(=O)(c1ccc(cc1)N)N2CCC(C)(C)CC2	0
+c1cc(ccc1S(=O)(=O)Nc2c(cccc2)Cl)N	0
+c1cc(ccc1SCCCCl)N	0
+c1cc(ccc1SCCc2ccccc2)N	0
+c1cc(ccc1-c2ccc3nnc(n3c2)Sc4ccc(cc4)N)F	0
+C[Si](C)(c1ccc(cc1)Cl)Cn2ccnc2	11061
+c1cc(ccn1)-c2c(-c3cc(O)c(Cl)cc3)[nH]c(C(C)(C)CNCc4ccccc4)n2	42
+C1CC(CCN1)c2c3c(OC(C3)COC)c(cc2C)N	1413
+c1cc(ccn1)-c2c([nH]c(C(C)(C)CN)n2)-c3cc(O)c(Cl)cc3	5
+c1cc(ccn1)-c2sc3C(NC(c4ccccc4)Nc3c2)=O	11062
+c1cc(ccn1)-c2sc(c(c2)NCCCC)C(=O)O	1
+c1cnccc1-c2ccc(c(c2)C=O)O	5
+c1cc(ccn1)-c2cc(c(N)nc2-c3cc(F)ccc3)N	13
+c1cc(ccn1)-c2cc(c(s2)C(O)=O)N	1
+c1cc(ccc1CN2C(=O)C(=CC=C2)O)-c3ccncc3	2285
+c1cc(ccn1)-c2c(nn(c2)C3CCN(CC3)C)-c4c(c(NS(=O)(=O)c5c(F)ccc(c5)F)ccc4)F	11063
+c1cnccc1-c2nc(Oc3c(C)cccc3)c(cn2)C(OCC)=O	185
+c1cc(ccn1)-c2c(-c3ccc(c(O)c3)N)c4nccc(n4n2)C5CC6CCC(C5)N6CC	5
+c1cc(ccn1)-c2sc(c(c2)NCC)C(=O)O	1
+c1cc(ccn1)C#Cc2ccc(cc2)O	5
+c1cnccc1-c2nc3cnc(nc3o2)Cl	11064
+c1cnccc1C(C)(c2sc(-c3cnc(F)cc3)nc2)O	5089
+c1cc(ccn1)C(C)C(Cn2ncnc2)(O)c3ccc(F)cc3F	1377
+c1cc(ccn1)C(O)Cn2c3c(CNCC3)c4cc(ccc24)C	1569
+c1cc(ccn1)-c2oc3c(n2)cc(cc3)OC	3137
+c1cnccc1C=2N=C(N3CC(OCc4ccccc4)CC3)N(C(=O)C=2)C	2803
+c1cnccc1-c2cc(nnc2-c3ccc4ccccc4c3)O	11065
+c1cc(ccn1)C=Cc2cc(ccc2)Nc3ncccc3N	13
+c1cc(ccn1)C=Cc2cc(ccc2)N	0
+c1cc(ccn1)C=Cc2cccc(N3c4ncccc4N=C(Cc5cnccc5)C3=O)c2	5048
+c1cnccc1CCc2ccc3c(c2)ccc(n3)NCc4c(OC)cccc4	1442
+c1cc(ccn1)CCc2c3cc(N)ccc3[nH]c2	0
+c1cc(ccn1)CN2C(COc3ccc(cc3)Cc4ccccc4)CCC2	171
+c1cc(ccc1)CN2CCC(CO)=CC2	11066
+c1cc(ccn1)N2CCC(CC2)C(Nc3ccc4[nH]nc(-c5[nH]c6ccccc6n5)c4c3)=O	804
+c1cc(ccn1)NC(c2cccc(N)c2)=O	0
+c1c(F)c(c(cc1OCC)F)Cn2c3c(c(-c4ncc(c(n4)Nc5ccncc5)O)n2)CCC3	3167
+c1cc(ccn1)OCCOc2c(cc(C(=O)N)c(N)c2)OC	0
+c1cc(ccn1)S(=O)(=O)c2c(OC)cc(N)cc2	0
+c1cc(ccn1)Sc2cnc(s2)N	1176
+c1cc(cn2C(c3c(N=c12)sc(CC)c3)=O)C#N	1014
+c1cccc2c1snc2NCCNC(c3ccc(cn3)C(=O)OC)=O	81
+c1ccccc1Cc2nnc(N3CCN(c4ncc(cc4)C#N)C(C)C3)c5ccccc25	43
+C1CC(CCN1Cc2ccccc2)Nc3ncc(C(=O)OC)cc3	70
+c1cc(nc(Cl)c1OCOC)C#N	331
+C(c1ccc(-c2cc(F)ncc2)nc1)NC(=O)c3ccc(N4C(=O)C=CC=C4)cn3	5092
+c1cc(CCN)ncc1Br	51
+c1cc2cnc(CCC(OCC)=O)n2cc1Br	5094
+c1cc(ncc1Br)NC(c2cccc(O)c2N)=O	0
+c1cc(ccc1)CN(CCCN)c2ccc(Br)cn2	5045
+c1c(C)c(c(cc1Oc2cnc(OCCOC)cc2)C)-c3nc(NC(c4ccncc4)=O)sc3	706
+c1cc(ccc1-c2ccccc2)COCc3cnc(Cl)cc3	149
+O=Cc1ccc(nc1)NCc2ccncc2Cl	200
+c1ncncc1Oc2cc(nc(c2)C(=O)Nc3ccc(F)cn3)C	4760
+C(c1ccc(nn1)Cl)CCCn2nncc2	587
+C1CN(CCC1Nc2nnc(cc2)Cl)Cc3ccccc3	232
+n1nc(ccc1-n2ccnc2)Cl	11067
+c1cc(nnc1C#CCCn2nncc2)Cl	4147
+c1cc-2c(cc1)C(c3ccccc-23)C(=O)NCC(=O)NC(C4=Nc5cccc(c5C(=O)O4)C)C(C)C	3273
+c1cc-2c(cc1)C(c3ccccc-23)C(=O)NCC(=O)O	4
+c1cc2C(C#N)CCCc2c(N)c1OC	0
+c12c3c(ccc1[nH]c4c2cccc4)C(CC3)=O	1223
+c1cc2CC(CCc2cc1C3CC4(COC(N4)=O)CC3)CO	21
+c1cc2CC(C(=O)O)CCc2cc1C3CC4(COC(N4)=O)CC3	4
+c1cc2CC(Cc2cc1OC)COC	21
+C1c2c(CC1CO)ccc(c2)OC	88
+c1cc2CCC(NC(OCC)=O)C(c2cc1O)Cc3cc(c(cc3)Cl)Cl	5
+c1c2c(cccc2)[nH]c1CNC	729
+O=S(=O)(n1c2c(cccc2)cc1C(=O)OC)c3ccccc3	367
+c1cc2[nH]c3c(ccnc3C)c2cc1-c4cc(ccc4)CN	107
+c12cc(ncc1ccc(c2)F)C(=O)OC	11068
+c1cc2c(CCC(NCCC)C2)c(N)c1OC	15
+c1cc(c2cccc(c2c1)F)O	5
+O=C(c1ccc2c(OCCO2)c1[N+](=O)[O-])O	6
+c1(c(c2c(cc1)nc(C)cc2)Br)O	5
+c1cc(ccc1)CN2N=C(Cl)c3ccccc3C2=O	11069
+c1cc2c(cc(Br)cn2)cc1CO	88
+C(c1cc(Cc2ccc3c(cc(cn3)C#N)c2)ncc1)(=O)O	1
+c1cccc2c1Oc3ccccc3C2(C)CN	273
+c1cc2c(N(CC3CCCCCN23)CCN)cc1	15
+c1cc2c(nc(c(c2cc1)O)C(=O)O)Cl	5095
+c1ccc2c(c(Cl)nc(C)c2N)c1	13
+[nH]1c(C=O)cc2c1cccc2	178
+c1cc2c3c(cccc3)n(c2cc1)CCCP(O)(OCC)=O	228
+C(c1cc2c(cc1)OCCO2)O	217
+c1(C=O)cc2c(ncnc2cc1)Cl	39
+c1cc2c(cc1I)ncc(n2)C(=O)O	6
+c1ccccc1COc2cc3c(cc2)ccc(C#N)c3	22
+c1cc2c(ccc(NC(C)=O)n2)cc1CCN	51
+c12ccc(c([N+]([O-])=O)c1ccc(c2)C=C)O	5
+c1cc2c(cccc2)nc1COc3cc(c(cc3)NCc4cc(ccc4)Br)N	0
+c1cc2c(csc2cc1F)N3CCCN(CCCCN)CC3	51
+Nc1cccc2ccc(Cl)nc12	13
+c1cc(ccc1)CCNCC(COc2cccc(-c3c4ccc(cc4on3)F)c2)O	122
+c12c(cc(C#N)cc1)c3c(c(c(cc3)O)C(C)CC)o2	5
+c1cc2c3ccccc3n(c2cc1)CCCP(O)(O)=O	228
+c1(C2C(c3c4ccccc4[nH]c3)C(=O)NC2)cn5c6c(CCC5)cccc16	1781
+c1cc2cc[nH]c2cc1C3C(C=O)C3	378
+c1c2c(c([N+](=O)[O-])c(OCOC)c1)nc(CO)cc2	453
+c1cc2cnc(CCCO)n2cc1Br	44
+c1(C(C(C)N)Oc2cc3c(cc2)n(-c4cccnc4)nc3)ccc(nc1)OC	669
+c1cc2n(C3CCCCO3)nc(C=O)c2cc1I	2231
+n1c(-c2cccc(c2)C)c(c3cccc(n13)Cl)C(C#C)=O	2344
+c1(C(C(C)N)Oc2cc3c(cc2)n(nc3)-c4cccc(c4)Br)ccc(nc1)OC	669
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nc(C)no4)c2-c5ncccc5)F	40
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nnc(o4)C)c2-c5ncccc5)F	40
+c1(C=O)ccc2nc(SC)sc2c1	39
+c1(C=O)cc2c(cc1)nc(o2)C	39
+c1c2cccnc2ccc1C(c3n(C)cnc3)(c4ccc5nc(nc(-c6cc(ccc6)Cl)c5c4)Cl)O	11070
+c1(C=O)cc2nc(C)sc2cc1	39
+c1cc(ccc1)S(=O)(=O)n2cccc2	917
+c1ccc(c(Cl)n1)-c2c(-c3cccnc3Cl)ncs2	2190
+C(c1cnn(c1)CCF)#Cc2cc(-c3cccnc3F)ccc2	1249
+Nc1cc(C(C)Nc2cccc(Br)n2)ccc1	0
+c1cc(ccc1)COC(NCC(=O)Nc2c(cccc2)C(=O)OC)=O	33
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(c(C#N)n(C)n3)C)c1N4N=NN(C4=O)C	331
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(C)c(C(O)=O)n(C)n3)c1N4N=NN(C4=O)C	6
+c1c2c(CCN2)c(C)cc1	931
+c1ccc(C=C(C(=O)O)C)c(N)c1	108
+n1cc2ccc(nc2c(Br)c1)C(NCc3occc3)=O	81
+c1c(c(ccc1)Cl)Nc2ncnc(Cl)c2N	73
+Clc1c2CCCCc3c(-c2ccc1)cccc3	165
+c1cc(ccc1)-c2c3c(N(C)C(=O)N(C)C3=O)cn2-c4c(cccc4)N	4866
+C1C(CC1C(Nc2ccccc2N)=O)OCc3ccccc3	33
+c1ccccc1S(=O)(=NC(c2cncc(C#Cc3cc(NC(c4sccc4)=O)ccc3)c2)=O)C	1240
+c1(C(OC)=O)c(c(Nc2ccc3OCOc3c2)ccc1)C(O)=O	1
+Oc1c(NC(c2cn3nc(sc3n2)CC)=O)cccc1	466
+C=1COc2cccc(C(=O)OC)c2C=1	1318
+Nc1ccccc1Sc2c(C#N)cccc2	0
+c1(C(=O)O)ccccc1Sc2ccccc2N	0
+c1ccc([N+]([O-])=O)c(Sc2c(C#N)cccc2)c1	274
+c1ccc(N)c2c1n(nc2C)Cc3cccc(C)n3	0
+c1c(N)cc(cc1)OCC(=O)O	0
+c1c(N)cc(cc1)OCC2CO2	0
+c1c(N)cc(cc1)OCOC	0
+c1(C(OC)=O)c(C(O)=O)c(Nc2ccccc2OC)ccc1	1
+s1c(-c2ncc(cc2)C)nc3ccccc13	11071
+c1(c(F)cccc1)C(c2c(F)cccc2)Oc3c(cc(cc3)N)C(=O)OC	0
+CCC(CC)(c1oc2c(ccc(c2)OCc3ccccc3)c1)c4ccc(O)c(C)c4	11072
+c1cc(ccc1)COc2c(C(Nc3c(C)cccc3)=O)cc(c(OCc4ccccc4)c2)Br	50
+c1cc(C)c(Nc2nc(nc3nccnc23)-c4cc(ccc4F)Br)cc1	3871
+c1(cccc2c1CCN2)-c3noc(-c4cnc(cc4)CCC)n3	931
+Nc1cc2c(cc1OCC)ncnc2Nc3cccc(C#C)c3	0
+c1(CCl)oc(nn1)-c2cc(ccc2)C#N	1705
+c1cc(ccc1)C(c2ccccc2)CN(Cc3cccc(C(F)(F)F)c3Cl)CCCOc4cccc(C(=O)OC)c4	20
+c1c(cccc1Cl)C2(c3cc(ccc3)Cl)C4C(CNC4)C(CC2)=O	25
+c1ccc(cc1CCn2nc(cc2N)C)C=3C=CC(=O)N(Cc4cc(C(=O)OC)ccc4)N=3	161
+C(c1cc(ccc1)OCC)C(=O)O	4
+CNCc1cc(ccc1)OCSC	1172
+c1c([N+]([O-])=O)cc(cc1)Cc2cn(c3ccccc23)CCCC(OCC)=O	11073
+n1cc(cc(Br)c1)C=Cc2cccc(N)c2	0
+c1c(C=Cc2cccc(N)c2)cccn1	0
+c1c(nc(C#N)cc1)-c2nc(ccc2)C(=O)O	1
+n1c(-c2cccc(C(OC)=O)n2)cccc1CN	421
+CC(C)=C(C(OC)=O)N1C(CC=C)C(C1=O)N	1955
+c1ccccc1COC2C(CCC2)N	45
+c1ccccc1C=2c3c4c(OC(C)(C)C4)c(cc3CC(CN)(C)N=2)OCC	45
+c1cc(ccc1C#N)Nc2nc(c(cn2)C#CCCCN)NCCC	45
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3c4ccccc4C5(COc6cc7OCOc7cc56)C3=O	20
+C1CC(CCN1CCCN)OC	45
+C1CCCCCN1CCCN	45
+c12OCOc1cc3C4(C(N(c5c4cccc5)CCCN)=O)COc3c2	45
+C(CN)Cc1cc(ccc1)C(=O)N	45
+c1cc(ccc1CCCN)CCc2nc(NC(=O)C)sc2	45
+c1cnccc1CCCN	45
+c1cc(ccc1Nc2ncnc(c2)-c3cc(ccc3)-c4ccccc4)N(CC)CCN	45
+c1n(CCN)cc(n1)C(=O)OC	45
+c12c(cccc1)C(=O)N(C2=O)c3c(N)cccc3	0
+Cc1c(-c2ncccc2)nc(cc1)N	1131
+Clc1cc2C(CCCN(C(c3cnc(cc3)NC(c4c(cccc4)Cl)=O)=O)c2cc1)CCN	45
+c1ccccc1-c2c(ncn2CCN)-c3ccccc3	45
+c1ccc2c(OCc3c(cccc3)C2C(C=O)CC=C)c1	24
+c1ccc2c(OCc3c(C2C(CCC)CNC)cccc3)c1	732
+c1ccc2C(C(CC=C)CO)c3c(cccc3)COc2c1	95
+c1ccc2c(c1)CC(C2)(C(=O)O)C	4
+c1cccc2CCC=3CC=CCC=3C(c12)CCO	11074
+c1ccc2CN(Cc2c1)C(c3c4c(nc(n3)N)ccc(C5(CCC5)C(O)=O)c4)=O	3
+C1(c2c(C(=O)N1C(C)(C)Cc3n4c(c(OCC(=O)OCC)ccc4)cn3)cccc2)=O	5094
+Clc1cccc(c1)C(N)Cc2ncccc2	45
+c1ccccc1COC(C(ON)Cc2ccccc2)=O	670
+C1(c2ncccc2CCC1)NCc3nc4c([nH]3)cccc4	2049
+c1ccc2c(c(C(O)=O)sc2c1)N	1
+c12c(cccc1)C(=O)N(C2=O)C(C#N)(CCCCO)CF	118
+N(C1COC2C(COC12)N)c3nc(ncc3Cl)Nc4cn(nc4)C	45
+C1(=O)c2ccccc2C(=O)N1C3Cc4c5cc(C#N)ccc5n(Cc6nc(F)ccc6)c4C3	11075
+c1ccccc1CC(N(Cc2c(cccc2)C(=O)O)S(=O)(=O)c3ccccc3OC)CN	45
+O=S1(=O)N(CC(CN)C1)CC	45
+C1C(C)N(C(CO1)C)CCN	45
+N1(CCCC1=O)CCCn2c(CCOC)nc3c(N)nc4ccc(cc4c23)CCN	45
+c1cccc2CCC(CO)Cc12	647
+Cn1c2c(cccc2)c(c1)C3C(C(=O)N(C)C3=O)c4c5ccccc5[nH]c4	11076
+Nc1cccc2c1ccc(n2)NC3CCc4ccccc34	0
+c12cccc(OC)c1cccc2N	0
+c1(O)ccccc1C(c2sc3ccccc3n2)=O	241
+c1ccc2c(sc(C(c3c(OCOC)cccc3)=O)n2)c1	11077
+c1ccccc1C(O)c2cc3c(cccc3)s2	2991
+c1ccc2cc(sc2c1)-c3cc(cc4c[nH]nc34)C(=O)O	1
+c1ccccc1C(c2cc3ccc(cc3c(c2)CCCNC(=O)C)OC)=O	222
+c1cccc2C(=O)N(C(=O)c12)CCCCCOCc3c4ccc5c6c(ccc(c46)cc3)ccc5	966
+n1c2c(cccc2N)ncc1	13
+c1cccc(-c2c(Cl)cccc2O)c1Cl	5
+c1cccc(-c2cc(N)cc(C(=O)OC)c2)c1OC	0
+n1cccnc1N2CCC(CC2)NC(=O)c3cnc(cc3)-c4ccccc4O	56
+c1cccc(-c2ccc(C(=O)O)cn2)c1O	1
+c1(c(OC)cccc1)C2CCCNC2	1446
+c1cccc(-c2cnc(CCCCC(=O)O)o2)c1OC	4
+c1cccc(-c2cnc(OCC(Nc3c(C(=O)O)csc3)=O)cc2)c1OC	1
+c1(-c2ccccc2O)nc3c(c(Cl)n1)cc(F)cc3	5
+c1(-c2ccccc2O)nc3c(ccc(C)c3)c(Cl)n1	5
+c1(-c2ccccc2O)nc3ccccc3c(Cl)n1	5
+c1cccc(-c2noc(CCCCC(=O)O)n2)c1OC	4
+c1cccc(C(=O)Nc2cn[nH]c2C(NCCCC(=O)O)=O)n1	3
+c1(NC(c2c(cccc2)I)=O)nn(cc1)-c3c(nccc3)Cl	330
+c1cccc(c1O)C=2C(c3c(cc(O)cc3)OC=2)=O	5
+O(c1ccccc1OC)C(C)CN	51
+c1(onc(-c2ccccc2F)c1)C=O	2180
+c1cccc(Oc2cc(N)c(cc2Cl)F)c1OCC(OCC)=O	106
+N#Cc1cc(nc(n1)-c2ccccc2OCCC)O	331
+c1ccccc1CC(NC(CN)=O)C(=O)NCC(O)=O	2139
+c1cccc2-c3ccccc3C(c12)COC(=O)NCCOC(c4ccc(cc4)N)=O	0
+C1(=O)c2ccccc2C(=O)N1C3CCC(CC3)C4C(=O)Nc5cnc6ccc(OC)nc6c5O4	11078
+c1ccc2ccc3c4c(ccc1c24)ccc3COCCCCCN	45
+C(C)N(CCN)CCF	45
+c1(ncccc1OCCN(CC)CCN)F	45
+CC(C)N1N=C(C=CC1=O)c2c3n(ccc(OCCN)c3)nc2-c4ccccc4	45
+CC(C)COc1ccc(cc1Cn2nc(N)cc2CC)Cl	1131
+c1ccc2C(=O)N(C(c2c1)=O)CCn3c(c(-c4ccccc4)nc3)-c5ccccc5	851
+c1ccccc1-c2c3c(ccc(Br)c3)nc(c2CN4C(=O)c5ccccc5C4=O)CC(C)C	11079
+O=C1c2ccccc2C(=O)N1CCCCC(=O)c3ccccc3	851
+c1cc(ccc1)C(Nc2cc(cnc2)Br)CN3C(=O)c4c(cccc4)C3=O	332
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOCCN4C(=O)c5ccccc5C4=O	332
+c1c2c(ccc1)C(=O)N(C2=O)CCc3nnc4n3-c5ccc(cc5C(c6ccccc6)=NC4)F	332
+c12c(C(=O)N(C1=O)C(CC)C=3N=C4SCCN4C(=O)C=3Cc5ccccc5)cccc2	11080
+c1cccc2c1C(=O)N(C2=O)CC(NCCc3ccccc3)=O	11081
+c12c(C(=O)N(C1=O)CC3N(C(=O)OCc4ccccc4)CCCC3C)cccc2	332
+C1(c2c(C(=O)N1CC3CC(C3)n4cc(-c5cccc(OCc6ccccc6)c5)c7c(ncnc47)N)cccc2)=O	332
+c1ccccc1COc2ccc3c(c2)C(=C(N(CC(C)C)C3=O)CN4C(c5c(C4=O)cccc5)=O)OCCCC	3749
+CC(C)CN1C(=C(c2ccccc2F)c3cc(OCc4ccccc4)ccc3C1=O)CN5C(=O)c6ccccc6C5=O	11082
+c1c2C(=O)N(C(c2ccc1)=O)C(c3c(nc4c(c(ccc4)Cl)c3)-c5cc(ccc5)F)C	4377
+c12c(cccc1)C(=O)N(C2=O)CCc3cc(-c4cnc(Nc5cccc(F)c5)nc4NCCC)on3	332
+C1c2ccccc2CC1(C(O)=O)NC(c3cc(OCCc4cc(C)ccc4)c(cc3)Br)=O	4
+c12CCc3ccccc3N(c1cccc2)CC(O)CN	18
+c1cc(ccn1)NC(NCCCCCCN2C(=O)C=Cc3c2cccc3)=NC#N	11083
+C(COCCN1CCN2c3ccccc3Cc4c(C2C1)cccc4)(=O)O	3
+C1CCCCC2N1c3c(NC2)cccc3	15
+c1cccc2c(cccc12)Cn3c(nc4ccccc34)SCCCC(=O)O	3
+c1cc(ccc1)COC(C2N(CCC2)C(=O)C3(c4c(cccc4)-c5ccccc35)O)=O	478
+CCC(C=CCN)=CC	1764
+c1cc(ccc1OCCN)-c2oc(nc2-c3ccc(cc3)OC)OC	45
+C1c2ccccc2CC1NCCCC3N(CCCC3)Cc4ccccc4	110
+c1cccc2c1snc2NCCNC(c3ccc(C(=O)O)cn3)=O	1
+c12ccc3ccccc3c1cc(c4c2cccc4)C	11084
+c1cccc2c1c(C=O)n[nH]2	178
+c1cccc2nc(-c3ccc(cc3OCCOCCOCCOC)N)sc12	0
+c1cc(ccc1)-c2nc(CNc3cnc4c(n3)cccc4)n(S(=O)(=O)N(C)C)c2	1284
+c1cc(ccc1)-c2c(c3c([nH]2)cccc3)C4CCNCC4	671
+c1cc(ccc1C)-c2nc3CCCNc3nc2-c4ccccc4	5079
+c1cc(ccc1CN2CCC(CC2)n3c4c(nc3C)cccc4)-c5c(cc(c(n5)N)N)-c6ccccc6	13
+c1ccccc1-c2cc3c(nc2-c4ccc(cc4)C=O)ccnc3O	39
+c1ccc2c(c3c(c4c2cccc4)cccc3)c1	5049
+c1cc(ccc1)-c2c(ccc(CC=3C(C(OC)=C(OC)C(=O)C=3C)=O)c2)C(O)=O	1450
+c1ccccc1-c2c(C(O)=O)ccc(c2)C	1
+c1ccccc1-c2c(ccc(c2)Br)CO	98
+c1cc(ccc1)-c2c(C(=O)OC)c3cc(F)ccc3nc2C(Nc4c(c(N)ncn4)C#N)C	40
+c1cc(ccc1)COc2ccc3cc(ccc3c2)Cn4cc(CO)c(c4)-c5ccccc5	295
+c1ccccc1-c2cccc(COc3cc(c(cc3Br)C=O)OCc4cc(C#N)cnc4)c2C	751
+c1cc(ccc1)-c2c(cc(cc2)-c3nc(O)c4cc(O)c(OC)cc4n3)F	5
+c1ccccc1-c2c(N)cc(C(O)=S)cc2SCc3ccccc3	1128
+c1ccccc1-c2c(ccc(C)c2)NC#N	11085
+c1cc(ccc1)CNc2nc3ccc(c(C(O)=O)c3nc2-c4ccccc4)OC	1
+c1cc(ccc1)-c2c(Nc3c(cccc3)C(C)C)c(ccc2)N	0
+c1cc(ccc1)-c2c(ncc(c2)N)OC	13
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCCNCCCCCCC	15
+c1cc(ccc1)-c2c3c(O)cccc3[nH]c2C	11086
+C1CC(C)(C)CCC1Cc2cc(O)c(c(n2)O)-c3ccccc3	11087
+c1ccccc1-c2noc(c2-c3cn(-c4ccc(cc4)[N+]([O-])=O)c(n3)C=O)C	2287
+c1cc(ccc1)Cn2c(-c3ccccc3)c(C)c4c(cccc24)Br	190
+c1cc(ccc1)-c2c(c(C#N)c3c(c2F)oc(CNC)n3)C	62
+c1ccccc1-c2c(C(NC)=O)c3c(nc2C(Nc4c(c(N)ncn4)C#N)C)cccn3	40
+c1ccccc1-c2ccc(N)cc2OC	0
+c1cc(ccc1)-c2c(C)cc3cc(ccc3c2O)OC	173
+c1ccccc1-c2c(C(=O)O)ccc(Cc3c(C)c(c(c(OC)c3OC)OC)OC)c2	1
+O=S(=O)(c1ccc(c(-c2ccccc2)c1)CO)C	98
+c1ccccc1-c2cc(Br)ccc2C=O	39
+c1cc(ccc1)-c2c(-c3ccc(cc3)F)c(n(c2C(O)=O)C(C)C)C=O	6
+c1ccccc1-c2cn3c(nc2Cl)c4cc(ccc4n3)F	11088
+c1cc(ccc1)-c2noc3c2c(nc(C(=O)OCC)c3O)-c4cn(Cc5ccccc5)nn4	2743
+c1cc(ccc1)-c2c(sc3c2ccc(c3)O)C(c4ccccc4)=O	5
+c1cc(ccc1)-c2c(c(nc3c2cc(cc3)Br)CC(C)C)CN	45
+c1ccccc1-c2[nH]c3c4c(ccc3)C(=O)CCc24	2207
+c1cc(ccc1)-c2cc(CO)cc3c2ccc(O)c3	49
+c1cc(ccc1Cn2cc(C(OC)=O)c(c2)-c3ccccc3)OCc4ccccc4	5096
+c1ccccc1-c2c(C(OC)=O)cn(Cc3cc4c(cc3)cc(cc4)OCc5ccccc5)c2	5096
+c1ccccc1-c2cc(C=O)c(n2S(=O)(=O)c3cnccc3)C	1639
+c1cc(ccc1)-c2cc(c[nH]2)C(=O)OCC	1866
+c1ccccc1-c2cc(c[nH]2)C=O	200
+c1cc(ccc1)-c2ccc3c(NC(=O)C3)c2	1089
+c1ccccc1-c2c(C(OC)=O)ccc(c2)N	0
+c1ccccc1-c2cc([N+](=O)[O-])c(CC(=O)O)cc2	4
+c1ccccc1-c2cc(CO)c(cc2)C	41
+c1ccccc1-c2cc([N+]([O-])=O)c(cc2)CC(=O)OC	1540
+c1cc(ccc1)-c2cc(cc(-c3ccccc3)c2O)S	1180
+c1ccccc1-c2cc(cc(C(=O)O)c2)OC	1
+c1ccccc1-c2c3ncn(C)c3cc(NC)c2	11089
+c1ccccc1-c2cc(ncn2)NS(=O)(=O)c3ccc(cc3)N	0
+c1cc(ccc1)-c2cnc3c(c(C(=O)NCC(=O)O)c(c(-c4ccccc4)c3)O)n2	3
+c1cc(ccc1)-c2cnc3N(C(C(=C(O)c3c2)C(OCC)=O)=O)O	1697
+c1ccccc1-c2ccc3sc(c(Nc4cc(Cl)c(F)cc4)c3c2)N	2415
+c1ccccc1-c2cc3n(CCO)c(nc3c(C)c2)CCC	44
+c1ccccc1-c2cc3n(c2)CCCC3	11090
+c1ccccc1-c2cc(c(cc2)CO)CN	11091
+c1cc(ccc1-c2ccccc2)-c3nocc3CO	903
+c1ccccc1-c2ccc(cc2)-c3nocc3CCC(O)=O	3
+c1ccccc1-c2ccc(cc2)-c3cc(Nc4ncc(C5CC5)cc4C(O)=O)cc6c3n(cc6)C	1
+c1ccccc1-c2ccc(cc2)-c3c4c(ccn4C)cc(N)c3	0
+c1ccccc1-c2ccc(cc2)CCCCCO	213
+c1ccccc1-c2ccc(cc2)C(=O)Nc3c(scc3)C(=O)O	1
+c1ccccc1-c2ccc(cc2)C(CC#N)NC(CNC(CCCCNc3ccccn3)=O)=O	207
+c1cc(ccc1-c2ccccc2)CC(NC(=O)c3c(OCc4ccccc4)ccc(c3)Br)C(OC)=O	22
+O=S(=O)(C(C(NO)=O)(CCc1ccc(cc1)-c2ccccc2)C)C	792
+c1ccccc1-c2ccc(cc2)NC(=O)CC(O)=O	3
+c1ccccc1-c2ccc(cc2)NC(=O)c3ccc(c(N)c3)OC	0
+c1cc(ccc1OCCCC(O)=O)-c2ccccc2	3
+c1ccccc1-c2nc3cc(ccc3cc2)-c4nc(n5ccnc(Cl)c45)C	4042
+c1ccccc1C(Nc2n3c(ccc(-c4ccccc4)n3)nc2)=O	1542
+c1cc(ccc1)-c2cccc(CC(O)=O)c2	4
+c1cc(ccc1)-c2ccccc2-c3c(ccc(F)c3)O	5
+c1ccccc1-c2nc(CN)n(S(=O)(=O)N(C)C)c2	102
+c1cc(ccc1)-c2c(O)c(c3c(c2)ncc(n3)-c4ccccc4)C(OC)=O	5
+C1CC(CCN1c2nc(Cl)nc3c2c(cs3)-c4ccccc4)C=O	24
+O=S(=O)(n1c(-c2ccccc2)c(c(C=O)c1)F)c3cccnc3	5072
+c1ccccc1-c2n3c(ccc(C(O)=O)c3)nc2C	1
+c1cc(ccc1)-c2n3nc(C(=O)O)ccc3nc2-c4ccc(cc4)C5(CCC5)N	6
+c1ccccc1-c2nn(cc2)C=3C=C(OCc4ccccc4)C(=O)N(C)C=3	11092
+c1ccccc1-c2onc(-c3ccc(cc3)N)n2	0
+c1ccccc1-c2nc(oc2-c3ccccc3)C4CCCCC4Cc5cc(ccc5)O	5
+c1ccccc1-c2c([nH]c(n2)SCCCCC(O)=O)-c3ccccc3	3
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCCCCCNCCCC	15
+c1cc(ccc1)-c2oc(c(n2)CCOC)C	21
+c1ccccc1-c2nc(C)c(C(C(=O)O)CCC)c(n2)-c3cc4NC(=O)Nc4cc3	4
+c1ccccc1-c2scc(CO)n2	11093
+c1ccccc1-c2nc(on2)C3CC(CC3)Nc4c5c([nH]nc5)ncn4	1002
+c1ccccc1-c2nc(-c3c(cccc3)N)sc2	0
+c1ccccc1-c2c(-c3ccccc3)nc4c(n2)CCCN4CCCC=CCC(=O)O	4
+c1ccccc1-c2nc(-c3cc(ccc3)N)c4c(N)c(sc4n2)C(=O)O	6
+c1cc(ccc1)-c2c(c(C(=O)NC(c3ccccc3)CC)c4c(cccc4)n2)CN=[N+]=[N-]	14
+c1ccccc1-c2c(NCc3ccccc3)nc4c(c(C(=O)OC)c(OC)cc4)n2	1284
+c1ccccc1-c2sc3c(c(ccc3)CO)n2	59
+c1ccccc1-c2sc3c(cc(C=O)c(OC)c3)n2	39
+c1ccccc1-c2nc3c(c(-c4cccc(N)c4)n2)c(c(s3)C(=O)OCC)N	0
+c1ccccc1-c2nc(c(cn2)C(=O)O)-c3ccccc3Cl	6
+c1cc(ccc1)-c2cc(ccn2)C(C)C	1382
+c1ccccc1-c2c3c(n(CC#N)n2)C(=O)N(c4ccc(cc4)Cl)C(=N3)c5ccc(cc5)C(C)C	143
+c1cc(ccc1)-c2c3c(n(C)n2)C4(C(C(C(C(C#N)C4)=O)C)CC3)c5ccccc5	11094
+c1cc(ccc1)-c2n[nH]c3c2cc(-c4cnn(C)c4)nc3	11095
+c1ccccc1-c2ccn(n2)C3=CN(C)C(C(O)=C3)=O	4733
+c1ccccc1-c2nn3ccccc3c2C=4C=CC(N(C5CC(=O)CCC5)N=4)=O	86
+c1ccccc1-c2ccc3ncc(n3n2)N	1901
+c1ccccc1-c2nnc(c3ccccc23)Cc4ccc(cc4)O	5
+c1ccccc1-c2nnc(Cc3ccc(cc3)Oc4ncccc4-c5ccnc(n5)NC)c6ccccc26	136
+c1cc(ccc1)C(N2CCN(CC2)c3ccnnc3-c4ccccc4)=O	1288
+c1ccccc1-c2oc(CCC(O)=O)nn2	4
+c1ccccc1-c2oc(C)c(n2)COc3cccc(COc4nn(cc4C=O)Cc5ccccc5)c3	576
+c1ccccc1-c2oc(C)c(n2)COc3cccc(COc4c(CO)cn(Cc5ccccc5)n4)c3	536
+c1ccccc1-c2nc(c(CCCOC)s2)C(O)=O	6
+c1ccccc1-c2sc(nn2)NC(=O)c3c(N)c4cc(cnc4s3)C(=O)O	6
+c1ccccc1-c2sc3c(c(ccc3)C=O)n2	200
+c1cc(ccc1)-c2nc3c(cc(OC)c(c3)CNC4C(NCCC4)c5ccccc5)s2	42
+c1ccccc1-c2nc3cc(c(cc3s2)OC)CO	98
+c1ccccc1-c2scc(COc3cccc4oc(cc34)-c5nc6n(c5)nc(OC)s6)n2	1963
+c1ccccc1-n2nc(C(C)(C)CO)cc2N	44
+c1cc(ccc1)-n2nccc2NC(Oc3ccccc3)=O	278
+c1cc(ccc1)-n2c(C(Nc3[nH]nnn3)=O)c(OC(C)C)c(Br)c2Br	11096
+c1ccccc1-n2c(N)c(c(SC)n2)C(On3nnc4cccnc34)=O	11097
+c1ccccc1-n2c(c(C(O)=O)cn2)CC	1
+c1ccccc1-n2c3c(nc2)ccc(C=O)c3	39
+c1ccccc1-n2c(-c3ccccc3)nc4c2ncnc4NCCC=O	24
+c1ccccc1-n2cc(C)c(CO)n2	194
+c1cc(ccc1)N2C=C(C(=O)N2)C=O	11098
+c1cc(ccc1)-n2nc(c(C=O)c2)-c3oc([N+](=O)[O-])cc3	576
+c1ccccc1-n2cc(CO)c(-c3ccc([N+](=O)[O-])o3)n2	11099
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(O)=O)CCC3)n2	3
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(N6CC(C6)C(O)=O)=O)CCC3)n2	4
+c1ccccc1-n2c(ncc2)-c3cc(O)ccc3	5
+c1ccccc1-n2cc(c(CCN)n2)C	51
+c1ccccc1-n2c(cc(CC)n2)NC(Oc3ccccc3)=O	278
+c1ccccc1-n2c(c(c(n2)SC)C(=O)O)N	6
+c1ccccc1-n2nc(SC)c3ccc(N)cc23	0
+c1ccccc1-n2c(cc(n2)C(=O)O)OCC(=O)N3C(CCC3)C(NCCF)=O	6
+c1cc(ccc1)COC(=O)C2CCCN2C(=O)COc3cc(C(=O)OCC)nn3-c4ccccc4	478
+c1ccccc1-n2nc(cc2OCC(O)=O)C(OCC)=O	210
+c1ccccc1C#Cc2c(NC(=O)C)n[nH]c2-c3cc(F)ccc3	1249
+c1ccccc1C#Cc2c(c(Cl)cc3nc(c(OC)nc23)OC)Cl	11100
+c1ccccc1CCC2=C(Br)C(=O)N(Cc3cc(ccc3)F)C=C2	11101
+c1cc(ccc1)C#Cc2c([nH]nc2-c3cccc(c3)F)N	1670
+c1cc(ccc1)-c2[nH]c3c(cc(c(-c4occc4)n3)-c5ccncn5)c2	3152
+c1ccccc1C#Cc2cc(c(OCCC)cc2)C(=O)O	1
+c1ccccc1C#Cc2cc(c(OC(C)C)cc2)C(NC(Cc3c4ccccc4[nH]c3)(C(=O)O)C)=O	4
+c1ccccc1C#Cc2ccc(c(C(NC(C)(Cc3c4ccccc4[nH]c3)CO)=O)c2)OC(C)C	21
+CC(C)Oc1ccc(cc1C(O)=O)C#Cc2ccccc2	1
+OB(O)c1ccc(cc1)C#Cc2ccccc2	493
+c1ccccc1C#Cc2ccc(cc2)B(O)OC	493
+c1ccccc1C#Cc2ccc(cc2)OCCc3nc(sc3)SC(C)(C)C(=O)O	4
+c1cc(ccc1F)-c2[nH]nc3c2cc(cc3)C#Cc4ccccc4	804
+c1cc(ccc1)CCc2cc3c(N=C(CC(N3)=O)c4cccc(c4)C#N)cc2	1702
+c1cc(ccc1OCOC)C(=C(CC)c2ccccc2)C(O)=O	108
+c1ccccc1C(Nc2ccc(cc2)CC(=O)OCC)=C3c4ccccc4NC3=O	5097
+c1cc(ccc1)C(O)CN(C)Cc2ccc(Cl)cc2Cl	74
+c1ccccc1C(N(C)CC(CC=O)c2ccc(Cl)c(Cl)c2)=O	24
+c1ccccc1C(=O)N(C)CCOc2ccc(cc2)CC3SC(=O)NC3=O	534
+c1cc(ccc1)-c2oc(c(C)n2)CC(=O)OCC	11102
+c1cc(ccc1)C(=O)Nc2c(N)ccc(N3CCCC3)c2	0
+c1cc(ccc1)C(=O)Nc2c(ccc(c2)C)N	0
+c1ccccc1C(=O)Nc2ccc(c(N)c2)OC	0
+c1ccccc1C(=O)Nc2ccc(cc2)CN3C(=O)C(CCC(NO)=O)=CC3	11103
+c1ccccc1C(=O)Nc2n[nH]c3c2cc(cc3F)N	0
+c1ccccc1C(=O)Nc2nc3c(s2)cc(cc3)N	0
+c1ccccc1C(=O)Nc2sc3cc(Nc4nc(Nc5n[nH]c(c5)C)ccn4)ccc3n2	55
+Clc1cccc(OCC(F)CCC2C3C(OC(=O)C3)CC2O)c1	682
+C1COC(O1)(CCC2C(O)CC3OC(=O)CC23)COc4cccc(Cl)c4	682
+Clc1cc2c(noc2cc1)OCC(CO)N	682
+c1ccccc1C(OCOC(=O)C2Cc3c(n(C(c4ccccc4)=O)c5c3cccc5)CC2)=O	11104
+O=C(N1C(SCC1C(O)=O)c2c(O)cccc2)CCS	11105
+c1cc(ccc1)C(=O)c2c3c(sc2N)cccc3	5051
+c1cc(ccc1)-c2c3c(cccc3)nc(-c4sc(CC(=O)N)cc4)c2	11106
+c1ccccc1C(=O)c2ccc(CC(=O)O)c([N+](=O)[O-])c2	3
+c1ccccc1C(=O)c2ccc(CC(=O)OCC)c(N)c2	0
+c1ccccc1C(=O)c2cc3c(C(C(=O)O)CC3)cc2O	4
+c1ccccc1C(=O)c2cc3cc(ccc3o2)O	5
+c1ccccc1C(c2cc(C=O)c(cc2)[N+]([O-])=O)=O	1054
+c1ccccc1C(=O)c2c(O)c(c(cc2)O)CCC	732
+c1ccccc1C(=O)c2cccc(CC(N)=O)c2N	11107
+c1ccccc1C(c2ncnc(SC)c2)O	5084
+c1ccccc1C(C(=O)NC(CC(=O)OCC)c2cccc(c2)NS(=O)(=O)c3cc(N)ccc3)CC	0
+C1CC(CCN1)C(c2ccccc2)C(=O)OC	62
+c1cc(ccc1)C(c2cnc3c(cccc3OC)c2O)=O	11108
+c1cc(ccc1OCC(C)CCC)C(CN)NC(C(C)c2ccccc2)=O	18
+CC(C)(N1C(c2c(c(Cl)c(F)cc2I)C1)=O)c3ccccc3	4840
+c1cc(ccc1)C(C)(C)c2cc(C(C)(C)c3ccccc3)c(O)c(c2)-n4nc5c(n4)cccc5	4833
+c1cc(ccc1C2OCCN(C(C)c3ccccc3)C2)Br	15
+c1cc(ccc1)C(N2CC(C(c3ccccc3)=O)CC2=O)C	832
+c1ccccc1C(N2C(C(CC2)CN)C(=O)N)C	18
+c1ccccc1C(C)n2c3ccccc3c(C(O)=O)c2C	6
+c1ccccc1C(c2c(c(N)cc(Br)c2)OCCC)C=C	0
+c1ccccc1C(CC=O)c2cc(OC)cc3c2cc[nH]3	578
+c1ccccc1C(CC(OCC)=O)Cc2ccc(cc2)O	5
+c1ccccc1C(CC)C(NC(CC(=O)OCC)c2cccc(N)c2)=O	0
+c1ccccc1Cn2c(ccc2-c3ccc4cc(ccc4c3)OC)-c5ccccc5	11109
+c1ccccc1C(CCCCCNc2c(N)cnc3ccccc23)=O	13
+C1CN(CCC1CCCc2ccccc2)CCC(c3ccccc3)O	74
+C1COCCN1CC(CO)c2ccccc2	44
+c1cc(ccc1)C2COCC(N2)=O	467
+c1ccccc1C(Cc2ccc(cc2)OCCc3cccc(NC)n3)CC(OCC)=O	11110
+c1cc(ccc1)C(NCc2ccccc2)=O	93
+c1ccccc1C(=O)N2C(N(C3OC(C(OCc4ccccc4)C3)COC(=O)C)C=C(F)C2=O)=O	4229
+c1ccccc1COc2c(C)cc(OC(c3ccccc3)=O)cc2CC	1039
+c1ccccc1C(NCCc2nc(sc2)Nc3c(cccn3)OCc4ccccc4)=O	93
+c1ccccc1C(=O)N(CCCSc2ccncc2)Cc3cccs3	115
+c1ccccc1C(N2Cc3n(CC2)ccc3)=O	115
+c1cc(ccc1)C(OCCOc2cc(C)nc(c2)-c3nc(C)ccc3)=O	279
+c1ccccc1C(Nc2nc3c(cc(cc3)Sc4n5cccnc5nc4)s2)=O	548
+C1CC(CCC1)N(CCCCCC=O)C(c2ccccc2)=O	24
+c1ccccc1C(=O)N(C)CC(CCO)c2cc(Cl)c(Cl)cc2	168
+c1cc(ccc1)C(CC)NC(c2c3n(cc2)CCOC3)=O	56
+c1ccccc1C(NCC(O)C(NC(=O)OCc2ccccc2)Cc3cc(F)cc(c3)F)COCC=C	122
+CN(C)CCOc1ccccc1NC(=S)N	401
+c1ccccc1C2COC(C(CC=CCC(C)C(=O)N2)C)=O	11111
+c1ccccc1C(c2c(cc(Cl)cc2)C)NC(Cc3cc4nc(-c5c(C)ccnc5C)oc4cc3)=O	3908
+C(N)(Nc1c(cccc1)OCCC)=S	401
+c1cc(ccc1)Oc2cc(cnc2NC(=S)N)Cl	401
+c1cc(ccc1)C(NCC(C(Cc2cc(F)cc(c2)F)N)O)COCC=C	102
+c1ccccc1C(C(=O)O)Nc2cc(Br)c(cc2)C#N	4
+c1cc(ccc1NC(c2ccccc2)=O)C=CC(=O)O	127
+c1ccccc1C(Nc2ccc(cc2)CC(=O)O)=C3c4ccccc4NC3=O	3
+c1ccccc1C(Nc2ccc(cc2)N(C)C(=O)C)=C3c4ccccc4NC3=O	5097
+c1ccccc1C(CCCCCNc2c3ccccc3ncc2[N+]([O-])=O)=O	155
+c1cc(ccc1)C(=O)CNC(=O)C	155
+c1ccccc1C(CNc2nc(nc3sc(cc23)C)C)=O	155
+c1ccccc1Cc2sc3c(cccc3)c2	1429
+c1ccccc1C(c2[nH]c3c(nccc3c2)Cl)=O	2229
+c1cc(ccc1)C(OCCOc2cccc(CN3CC(Nc4c5ccncc5ccc4)CC3)c2)=O	48
+c1ccccc1C(c2cc3c([nH]2)cncc3)=O	11112
+c1ccccc1C(=O)c2cc(Br)ccc2C(N(Cc3ccc(cc3)S(=O)(=O)C)CC(=O)CCC)=O	86
+c1ccccc1C(=O)c2cc(c(N)cc2)C=O	0
+c1ccccc1C(=O)c2cc([N+]([O-])=O)c(CC(OCC)=O)cc2	976
+c1cc(ccc1)C(=O)c2cc(Cl)c(cc2OCC(OCC)=O)OC	335
+c1cc(ccc1)C(c2c(ccc(-c3nc(ncc3)N)c2)F)=O	335
+c1ccccc1C(=O)c2cc3CCC(C(=O)OC)c3cc2O	5
+c1cc(ccc1)C(CC(=O)O)c2cc3c([nH]cc3)cc2	3
+c1ccccc1C(c2cc3cnn(-c4ccc(cc4)F)c3cc2)C(C)(C)C=O	24
+c1ccccc1C(c2ccccc2)(CN)CN(CC)CC	51
+c1ccccc1C(c2ccccc2)(CCC(OCC)=O)CC#N	783
+c1cc(ccc1)C(c2ccccc2)(CC3CCN(CC3)CCc4ccccc4)C(N)=O	28
+c1ccccc1C(c2ccccc2)=CC3CCNCC3	3039
+c1ccccc1C(c2ccccc2)(CCC(C)(C)NC)C(=O)N	25
+c1cc(ccc1)C(c2ccccc2)(CC#N)CCCO	44
+c1ccccc1C(c2ccccc2)(C(=O)N)CCCNC	25
+c1cc(ccc1)C(c2ccccc2)(CCN)O	51
+c1ccccc1C(c2ccccc2)(O)CCNCc3ccccc3	162
+c1ccccc1C(c2ccccc2)(c3ccc(cc3)OC)OCC4OC(CC4O)N5C=C(C(NC5=O)=O)C#C	4572
+C(OC)CC1N(CCNC1)C	3171
+N1CC2C(C(NC(Nc3cc(-c4nnnn4C)cc(CC)c3)=O)CC2)C1	3171
+c1cc(ccc1F)CC2CN(CCC2)C3C4CNCC4CC3	3171
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)CO	44
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)CN	18
+CC(C)C(O)C(CC)N	11113
+C1N(CCC1CF)C(CO)C	1454
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CCO)O	44
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCC=O	24
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCCC=O	24
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCNC(CCCCCN(C)CCN)=O	12
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(N5CCOCC5)c6c4cc(nc6CO)Cl	453
+c1cc(ccc1)C(NC(Nc2ncc3c([nH]nc3c2)NCC)=O)C	11114
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4ncc5c4cc([N+]([O-])=O)c(CCNCc6ccc(cc6)F)c5	15
+c1cc(ccc1OCCCc2cnc[nH]2)F	5098
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(CCO)c4	21
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COc5c(cccc5)OCc6ccccc6)c4	2303
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(COCC(=O)O)nc4	3
+c1ccccc1COc2ccccc2OCc3nc[nH]c3	5098
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4ncc5c4cc(c(CCNCc6ccc(cc6)F)c5)N	0
+c1ccccc1C(c2ccccc2)C3CCN(CC3)c4nc5c([nH]4)cccc5	4689
+c1cc(ccc1)C(c2ccccc2)CC3CCN(CC3)CCCCCCCCc4cccnc4	3040
+FC(F)(F)c1c(CBr)c(ccc1C#N)N	828
+CN(C)C1CC=C(CC1)c2c(F)c(ccc2)N	828
+CC(C)(C)OC(N1CC(c2c1cc(N)c3ccccc23)CCl)=O	828
+c1cc(ccc1)C(c2ccccc2)(C#N)CC3CCN(CC3)Cc4ccccc4	11115
+c1ccccc1C(c2ccccc2)C(N(CC=CCO)CC)=O	2502
+c1ccccc1C(c2ccccc2)C(Nc3c(nc(COCc4ccccc4)nc3)O)=O	1681
+c1ccccc1C(c2ccccc2)C(C(=O)NC(C)CCCC(C(OCC)=O)N)NC(OC)=O	689
+c1cc(ccc1)C(c2ccccc2)C(Nc3c(O)nc(nc3)CO)=O	118
+c1ccccc1C(c2ccccc2)C3CC(CCO3)N	18
+c1ccccc1C(c2ccccc2)C=C	4318
+c1ccccc1C(c2ccccc2)CN(Cc3c(Cl)c(C(F)(F)F)ccc3)CCCOc4ccc(cc4)C(=O)O	1
+c1ccccc1C(c2ccccc2)N(C)CCN(C)CCCCN	45
+CN(C)CC1(CNC1)F	539
+CC(C)(C)OC(NCC1(CNC1)F)=O	539
+CC(C)(C)OC(=O)NCC1(CNC1)N2CCOCC2	539
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)CN4CCC4	15
+O=S(=O)(C)NC1CNC1	539
+C1NCC1S(c2ccc(cc2)Cl)=O	539
+c1cc(ccc1Cl)SC2CNC2	539
+CC(C)(C)OC(=O)NC1CNC1CC	539
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CN	15
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CCCCN	45
+C1CC(CCN1)CCCCNC(CCc2cnccc2)=O	539
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CNC	695
+c1ccccc1C(c2ccccc2)N3CCN(CC3)C(C4C(C=O)C4)=O	24
+c1ccccc1C(c2ccccc2)N3CCN(CC3)C(=O)C4CC4CO	44
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCNc4cc(ccc4O)C	15
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCNc4ccc(C(F)(F)F)cc4N	0
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCNC	215
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOCCN	45
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4ccc(N)cc4C#N	0
+c1ccccc1C(c2ccccc2)N3c4ccc(C)cc4C5(COc6cc7OCOc7cc56)C3=O	11116
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4cc(ccc34)C)c5c(cc6c(OCO6)c5)O)=O	462
+Cc1cc2c(cc1)NC(=O)C23COc4cc5OCOc5cc34	3162
+c1cc(ccc1)C(c2ccccc2)n3c4ccc(Cl)cc4cc3CCNS(=O)(=O)Cc5cc(c(cc5)Cl)Cl	4227
+c1ccccc1C(c2ccccc2)OC(C=3N4C(C(N)C4SCC=3c5cnc(NC(=O)C)s5)=O)=O	84
+n1c(sc(c1)C=2CSC3C(C(=O)N3C=2C(=O)O)NC(Cc4cccs4)=O)NC(C)=O	11117
+c1cc(ccc1)C(c2nnn(CCCCCCCCCCCC)n2)C(O)=O	3
+c1ccccc1C(n2c3nc(Cl)ncc3c(C(O)=O)c2C)C	1
+c1cc(ccc1)C(n2ccc3ccccc23)CCO	95
+C1CCCCC1(CCC(=O)O)c2ccccc2	1571
+c1ccccc1C2(CN(S(=O)(=O)c3ccccc3)C)C(C=O)C2	24
+c1ccccc1C2(CC(C2)C)c3cc(OCc4ccc5cc(ccc5n4)F)ccc3C(=O)CBr	380
+c1ccccc1C2(CC2)c3nc4c(nc(-c5c(F)cc(cc5)CCN)s4)cc3	157
+c1ccccc1C2(CC2)c3nc4c(nc(-c5c(F)cc(CC[N+](=O)[O-])cc5)s4)cc3	364
+c1ccccc1C2(CC2)c3nc4c(nc(-c5c(F)cc(cc5)C=O)s4)cc3	2910
+c1ccccc1C2(CNc3c2ccc(c3)C#N)C	621
+c1ccccc1C2(CCc3nnc(C)o3)CCN(C(=O)O2)C(C)c4ccc(cc4)Br	1037
+c1ccccc1C2(c3ccccc3)C=Cc4c(C2)n[nH]c4C(=O)O	6
+c1ccccc1C2(c3ccccc3)CCCN(C2=O)CC(=O)O	3
+c1ccccc1C2(CCN(CC2)CCN)c3ccccc3	51
+c1ccccc1C2=C(N(C(=O)c3ccccc23)C)C=CC(O)CC(O)CC(O)=O	3
+c1ccccc1-c2c3n(ccc2)ccn3	11118
+CC1(C)Cc2c(c(cc3c2C(=NC(C)(C)C3)c4ccccc4)O)O1	5
+c1ccccc1CN2N=C(C(C(Nc3ncnc(N)c3C#N)C)=CC2=O)c4ccccc4	2596
+c1ccccc1C2CCc3c(ccc(O)c3)C2=O	5
+c1ccccc1C2c3c(C(O)C2CC)c(Cl)c(c(OCC(=O)O)c3)Cl	74
+c1cc(ccc1)C2C(N)C(=O)Nc3ccccc3O2	1584
+C1CC(CCC1CN)c2ccccc2	18
+c1ccccc1C2CCC(CC2)Nc3c(I)c(ncn3)CC	40
+c1ccccc1C2C(=O)N(CCC2)CC(O)=O	3
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+c1cc(ccc1)C2N(C)C(=O)CC2CO	95
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+c1ccccc1C2C(CC)C(=O)c3c(Cl)c(Cl)c(OCC(=O)O)cc23	3
+c1ccccc1C=2C(=O)N(CC3CCCCC3)c4c(c(O)c(C(NCCCC(=O)O)=O)nc4)C=2	3
+c1cc(ccc1)CN2c3c(-c4cccnc4)nc(C(=O)O)c(c3C=C(C2=O)c5ccccc5)O	1
+c1ccccc1C=2CCN(CC3CC(CCC3)=O)CC=2	97
+c1ccccc1C=2CCN(CC=2)CCC#Cc3ncc(cc3)N	13
+c1ccccc1C=2CCN(CCCCN(c3cc(ccc3C(=O)O)[N+]([O-])=O)C(OCC)=O)CC=2	1
+c1ccccc1C=2N(C(C(C(C)C)N(C(C)=O)C=2)=O)CC(=O)NC(C=O)Cc3ccccc3	24
+c1ccccc1C2=C(C=CC(CC(CC(=O)OCC)O)O)N(C(=O)c3ccccc23)C	770
+c1cc(ccc1)CC(C#N)C(OCC)=O	11119
+c1cc(ccc1)CC2C(c3[nH]c4c(c3CC2)c(Cl)c(Cl)cc4)=O	4730
+c1ccccc1C=C2c3nc(C)c(cc3CCC2)CO	351
+c1ccccc1C=C2c3nc(C)c(cc3CCC2)C=O	200
+c1ccccc1C2CC(c3cc(Br)c(cc3O2)F)=O	11120
+c1ccccc1CNCCCCCCCCCCCC	1172
+c1ccccc1-c2nc3cc(ccc3o2)C	11121
+c1ccccc1CNCCOCc2ccccc2	42
+c1cc(ccc1)CNc2ccccc2C=Cc3n[nH]c4c3cccc4	208
+c1ccccc1CC(CCCCc2ccccc2)C(=O)OC	2494
+c1ccccc1CCNc2c(cc(cc2S(=O)(=O)N)C(O)=O)NCc3ccccc3	608
+c1ccccc1COC(=O)C2C(OCC(N2Cc3ccccc3)=O)C	283
+c1cc(ccc1)COc2ccc(c3CCC(N(Cc4ccccc4)c23)=O)CC5SC(=O)NC5=O	22
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+c1cc(ccc1)Oc2ccccc2-c3nnc(SCc4ccccc4)o3	11123
+c1ccccc1COc2c(cc(cc2)Oc3ccccc3)C=O	22
+c1cc(ccc1)Cn2c(cc3nc(Cl)ccc23)-c4ncco4	5029
+c1cc(ccc1)Cn2cnc(C(c3cccnc3F)=O)c2	371
+c1cc(ccc1)Cn2c3c(nc(N)nc3cc2)O	11124
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+c1cnccc1-c2nc(NCC(N)Cc3ccccc3)ccc2	340
+c1ccccc1CCN2c3c4c(cnc3CCC2)cccc4	15
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+c1ccccc1CCCCCCC=O	24
+c1ccccc1CCCCOCCC(CCC=C)=O	86
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+c1ccccc1CCCNc2nn3c(cc2)ncc3Br	232
+c1ccccc1CCCNc2cccc(Sc3ccc(cc3)CC(O)=O)c2	3
+c1ccccc1CCCOC(NC2C(=O)OC2C)=O	11125
+c1ccccc1CCCOc2c(-n3nnc(c3)C(=O)O)ccc(c2)C(=O)NCC	6
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+c1ccccc1S(=O)(=O)N2CCC(CC2)C(=NCCc3ccccc3)c4ccc(cc4)F	1529
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+c1ccccc1CCOc2ccc(Cl)cc2CCC(=O)OCC	159
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+c1ccccc1CCc2nc(N)cc(c2)C	899
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+c1ccccc1CNC(=O)c2cc3C(O)=C(C(OCC)=O)C(N(OCc4ccccc4)c3nc2)=O	56
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+c1ccccc1CN(Cc2ccccc2)CC(OC)CN3CCNCC3	2
+C[Si](C)(C)CCOCOc1ccc(cc1NC=O)C(CN)O	932
+CC(C)(CN1CCC(CC1)CN)OC	932
+c1ccccc1CN(Cc2ccccc2)CCCC=O	578
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+c1ccccc1CN(Cc2ccccc2)c3c(F)c(c(cc3)F)C(=O)c4c[nH]c5ncc(-c6cnccc6)cc45	814
+c1ccccc1CN(Cc2ccccc2)c3c4[nH]c(C(=O)OCC)cc4ccn3	4904
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+c1ccccc1CN(Cc2ccccc2)c3nccc4c3[nH]c(C=O)c4	178
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+c1ccccc1CN(Cc2ccccc2)c3nccc4cc([nH]c34)C(O)c5ccccc5	5021
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+c1cc(ccc1)CN2CC(C3(C2)CCCc4ccccc34)C(O)=O	3
+C1CC1(C2COC(C)(C)CN2)O	25
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+c1ccccc1CN2CC3C(c4c(C3C2)cc(cc4)OC)O	74
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+c1ccccc1CN2CCC(CC2)N(CCCCOCCO)C(C)C	15
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+c1ccccc1CN2CCC(CC2)N3C(=O)C=Cc4c3cc(N)cc4	106
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+c1cnccc1-c2ncccc2OC3CCN(CC3)Cc4ccccc4	1299
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+c1ccccc1CN2CCC(CC2)c3cc(c(Cl)cc3)C#N	274
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+c1ccccc1CN2C(CCC=O)CCCC2	24
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+N1Cc2c(c3cc(C#N)ccc3nc2CC1)Cl	25
+c1n(c2c(CNCC2)n1)-c3ncccc3	25
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+C(C)OC(c1n[nH]c2CNCc12)=O	25
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+c1ccccc1CN2CCn3cc(C=O)nc3C2	11133
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+c1ccccc1CN2CCCc3c2cc(Cc4c(C(C)C)ccc(Br)c4)cc3	452
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+c1ccccc1CNCCc2c3c(ccc(F)c3OCC)n(c2)C	15
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+c1ccccc1CNC(c2c(C)nc(s2)N3CCCCC3=O)=O	11136
+c1ccccc1CNC(c2c(C)nc(N3CCCC3=O)s2)=O	11137
+c1ccccc1CNC2(CC2)c3ccc(cc3)C#Cc4ccc(cc4)C(=O)O	6
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+CC1(C)C(c2c(O1)c(c(c(N)c2C)C)C)c3ccc(cc3)C	1197
+c1ccccc1CNc2c(cnc(c2)Nc3ccncc3)CC(N)=O	201
+c1cc(ccc1)S(=O)(=O)N(c2cccc(c2)N3C(NCC3)=O)Cc4ccccc4	416
+c1ccccc1CNc2ncc(cc2)N	13
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+C1C(OC)CNC(C(=O)O)C1C(OC)=O	210
+c1cc(ccc1)CN2C(C(OCc3ccccc3)=O)C(OCC2)C	15
+N1(CCOC(C(=O)O)C1)C(=O)C	210
+C(=O)(O)C=Cc1ccc(nc1)N	2882
+CN(C)CC(NC(=O)CCCCCCCOCc1cc(F)c(cc1)F)CC(=O)O	210
+c1cc(ccc1)COc2cccc(c2)CCC(O)=O	210
+c1ccccc1COC(=O)N2CCC(CC2C#N)c3ncc4c(Cl)nccn34	856
+c1ccccc1COC(=O)N2C(C#N)CC(C(=O)NCc3nccnc3Cl)CC2	9
+c1ccccc1COC(=O)N2C(CC(CC2)C(OCC)=O)C#N	143
+c1ccccc1COC(N2CC(OC3CC3)CC2C(O)=O)=O	4
+c1ccccc1COC(=O)N2Cc3c(CC2C#N)c4c([nH]3)cccc4	143
+c1ccccc1COC(=O)N2C(C#N)CC(CC2)C(=O)O	3
+n1c(NC(=O)c2ccc(-c3c4c(N)nccn4c(C5NCCC5)n3)cc2F)cccc1	62
+c1ccccc1COC(=O)N2C(C)CCC(C(O)C2)N	18
+c1ccccc1COC(=O)N2C(C)CCC(N)C2	18
+c1cc(ccc1F)-n2ncc3c(cncc23)C(=O)NC(CC)C4CC(NCC4)C(=O)N	679
+N1CC(CCC1)C(Nc2nc(-n3cnc4ccccc34)ccn2)C	62
+C(O)CNC(=O)C1CCCN1	679
+c1ccccc1COC(N2C(c3nc4cccc(c4o3)C(OC)=O)CCC2)=O	2037
+c1cc(ccc1Cl)Cc2c(C)noc2C3CCCN3	62
+N1Cc2c(CC1)oc(-c3ncccc3)n2	62
+C1COCCN1CC2Cc3ccccc3CN2C(=O)OCc4ccccc4	15
+c1ccccc1COC(=O)NC(C(NCCCCC=O)=O)CCSC(=O)C	24
+CC(C)C(N)C(=O)Nc1c(c(C)ccc1)C(O)=O	334
+N(C(=O)c1ccccc1O)C(C)C(N)C	102
+c1ccccc1COC(=O)NC(C(=O)NCCCCC=O)CCS	1113
+c1c(C)c2n[nH]cc2cc1CC(N)C(OC)=O	1388
+C1CCCCC1CC(N)C(=O)NCCO	334
+c1ccccc1CC(C(O)=O)NC(OCc2ccccc2)=O	4
+c1cc(ccc1)COc2c(C)cc(c(C=C(C(=O)OC)NC(OCc3ccccc3)=O)c2)Br	11138
+c1cc(ccc1)C(CN2CC(OCCOCCOCCOCCOCCOC)CC2)NC	3172
+O=S(=O)(CC1C(CCC(C1)N(C(C)C)C)N2CCC(N)C2=O)C(C)C	334
+c1ccccc1COC(=O)NC2CCC(CN)(C)C2(C)C	51
+CC1(C)C(C)(C(=O)OC)CCC1N	102
+c1ccccc1COC(=O)NC2C(N(C(=C(C)C)C(OC)=O)C2=O)CCO	237
+C1(OC)CN(CCC1N)c2oc(c(C)n2)C(OCC)=O	102
+c1ccccc1COC(NC2CCCC(c3[nH]c4c(-c5ccccc5N(C4=O)C)n3)C2)=O	11139
+C(C)OC(=O)N1C(CC)CC(N)c2c1ccc(OC)n2	102
+C1CC(CCC1NC)O	3172
+c1ccccc1COC(=O)NC2CCC(CC2(C)C)=O	97
+CC(C)N(C1CC(C(N2CCC(C2=O)N)CC1)CCC)C	334
+C(COC1CN(CCC1N)c2cccc(c2)C(=O)OC)C	102
+c1ccccc1COC(=O)NC2CNC3Cc4c[nH]c5cccc(C3C2)c45	2436
+C1CC1C2N(c3ccc(-c4cn(nc4)CCOC)cc3C(N)C2C)C(C)=O	102
+c1ccccc1COC(=O)NCC2CC(N3c4c(ccnc4)-c5noc(C)c5C3=O)CCC2	11140
+c1ccccc1COC(=O)NCCc2oc(cn2)CC	11141
+C1(NNC(=O)N1CCCCNC(=O)OCc2ccccc2)=O	11142
+c1ccccc1COC(=O)NCCCNc2c(N)c(nc3ccccc23)Cl	13
+C1(=O)n2c(nnc2N(CCCCC)c3[nH]cnc13)CCN	102
+CC(C)c1oc(CCN)nc1	102
+o1c(CCN)ncc1CC	102
+n1c2CCOCc2c(O)nc1CN	102
+O=S(=O)(NC1CCC(CC1)C)N	5100
+Nc1cccc2c1[nH]cc2C3(CC)c4ccc(cc4CC3)F	5101
+c1ccccc1COC(=O)Nc2ccc(C(O)=O)cc2Cl	1
+c1ccccc1COC(=O)Nc2ccc(Oc3cc(C(O)=O)ncc3)c(F)c2	1
+c1ccccc1COC(=O)Nc2c(cc(cc2)N)O	0
+c1cc(ccc1C=2CCN(C(OCc3ccccc3)=O)CC=2)NC(=O)OCc4ccccc4	252
+c1ccccc1COC(=O)Nc2ccc3c(NC(=O)C(C3)C(O)=O)c2	3
+C(C)OC(=O)c1cc2[nH]c(nc2cc1)-c3n[nH]c(C)c3C(=O)O	426
+c1ccccc1COC(c2c(C(=O)c3cc(c(cc3)N)N)cccc2)=O	0
+c1(C(=O)O)cc2cc[nH]c2nc1	426
+C1CCCCC1Nc2cc(C(O)=O)ccc2C(N)=O	426
+c1cc(ccc1O)C(O)C(C)NCCOc2c(C)cc(cc2C)-c3ccc(cc3)C(O)=O	426
+c1ccccc1COC(=O)c2ccc(C(NC(C)C=O)=O)cc2C	24
+O=C(n1cc(c2ccccc12)C(=O)O)N	426
+CC1(C)C(C(O)=O)CC1NC(=O)C	210
+C(CCCC(=O)N1CCCC1C(O)=O)CCC	210
+CC(C)(c1cc(ccc1OC(CC)=O)P(CP(OCC)(OCC)=O)(OCC)=O)CC(=O)O	210
+c1cc(ccc1-c2ccc(cc2)-c3onc(C)c3CC(O)=O)C4(CC4)C(=O)OCC	210
+c1cc(ccc1)S(=O)(=O)c2ccc3c(CNC(=O)CNC)cccc3c2	679
+c1(cc2ccccc2n1CC)CNC	62
+c1ccccc1COC(N(CC(N(c2ccc(cc2)CO)C)=O)C)=O	98
+C1CC(CCC1CCO)CNC	62
+CN(C)C1CC(C(OC)=O)NC1	5102
+C1COC2(O1)CCNC(C(OC)=O)C2	5102
+c1ccccc1COC(=O)N2C(CC(CC2)(CO)N)C	95
+c1ccccc1COC(N2C(C)CCC(O)C2)=O	2118
+O=S(=O)(C)OC1CNC(COCCO)C1	62
+n1ccc(cc1NC2CCC(NC2)C)C#N	62
+c12cccc(C(=O)N)c1oc(n2)C3NCCC3	62
+c1(OC)n(c2nc(nc(N)c2n1)OCCCC)CCCC3NCCCC3	62
+n1[nH]c(C2Cc3c4ccccc4[nH]c3CN2)nn1	62
+c1cc(ccc1-c2c3c(N)nccn3c(C4NCCC4)n2)C(=O)Nc5nccc(C)c5	62
+c1cc(ccc1-c2c3c(N)nccn3c(C4NCCC4)n2)C(Nc5nccc(CC)c5)=O	62
+c1ccccc1COC(N2CC3C(=O)CC2C3)=O	86
+c1ccccc1COC(=O)N2Cc3c(oc(-c4ccccn4)n3)CC2	5103
+c1ccccc1COC(N2Cc3oc(-c4ccccn4)nc3CCC2)=O	5103
+C1CC1OC2CC(N(C2)C(=O)OCc3ccccc3)CO	21
+c1cc(ccc1)COC(=O)N2C3C(C(c4ccccc4)(CC2)O)CCCC3	1035
+c1ccccc1COC(N2CC(C(CC2)=O)NC(c3ncccc3)=O)=O	86
+O=S(=O)(c1cccc2ccccc12)c3n[nH]c4ccc(OC5CCNC5)cc34	62
+c1ccccc1COC(N2CCC34CCCCC3C2Cc5c4cc(c(N)c5)OC)=O	0
+c1ccccc1COC(=O)N2C(C(CCC2)C)CO	21
+c1c(c(-c2cc(NC(C3CNCCC3)=O)ncn2)ccc1)OC	62
+CC(C)CC(NC(c1cc2c(cccc2)o1)=O)C(NC3C(O)CNCCC3)=O	62
+c1ccccc1COC(N2CC(C(CCC2)NC(c3ncccc3)=O)=O)=O	86
+c1ccccc1CC2(C(=O)NC(C(OC)=O)C(C)OC(=O)C)NCCC2	679
+c1ccccc1COC(=O)N2C3(CN(CC(O)=O)C3=O)CCC2	3
+c1ccccc1COC(N2CCN(Cc3cccc(-c4cc(ccc4F)CN)c3)CC2C)=O	107
+C1C2C(Cc3c(cccc13)OC)N(C)CCO2	3172
+c1ccccc1COC(N2c3c(CCCC2)cc(N4CC(CN)OC4=O)cc3)=O	18
+c1ccccc1COC(=O)NC(c2ccccc2)CN3CC(CC3)OCCOCCOCCOCCOCCOC	15
+c1ccccc1COC(=O)NC(C(OC)=O)Cc2cc(c3n[nH]cc3c2)C	11143
+NC(C(OC)=O)CNC(C)=O	1388
+c1ccccc1COC(NC(COCC=C)C(=O)O)=O	4
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)OC2CCC(CC2)C(O)=O	2167
+CC(C)CC(C(NC)=O)N	334
+c1ccccc1COC(NC(CO)Cc2c(ccc(c2)Br)OC)=O	21
+c1c2c([nH]cc2CC(C(=O)OC)NC(CCC(C(OCC)=O)N)=O)ccc1	1388
+CC(C)(NC(=O)OCc1ccccc1)CCO	88
+c1ccccc1COC(NC(C)C(N)=O)=O	5047
+c1ccccc1COC(=O)NC(CC#C)C(=O)NC(C(=O)O)CC(C)C	4
+C1OC(NC1Cc2cc(ccc2OC)Br)=O	11144
+c1ccccc1COC(NC(COC)CO)=O	95
+c1ccccc1COC(NC(C(O)=O)Cc2cc(Br)ccc2OC)=O	4
+c1c(OC)ccc2c1n(nc2)CC(C)N	102
+c1ccccc1COC(=O)NC(Cn2ncc3c2c4C=CCOc4cc3)C	11145
+c1ccccc1COC(NC(Cn2c3c4cc(C(=O)O)oc4ccc3cn2)C)=O	426
+C(C)OC(=O)C12CCCC(C1)(N)CC2	102
+CC(C)N(C1CCC(N2C(C(N)CC2)=O)C(C(CC)O)C1)C	334
+C1C(C(OC)=O)C(N)CC1	102
+c1ccccc1COC(NC2CCN(CC2F)c3ccc(F)cc3N)=O	0
+COC1CN(CCC1N)c2cc(OC)cc(c2)C(=O)OC	102
+C1C2(CS1(=O)=O)CC(C2)N	102
+[nH]1c2cccc3c2c(CC4N(CC(N)CC34)CCC)c1	102
+C1CC(CCC1N)c2nc(c(-c3cc4OCOc4cc3)[nH]2)-c5nc(ccc5)C	102
+CC1(C)C(CCC(N2CCN(CC2)C)C1)N	102
+CCCCOC(=O)N1CC(CC1)N	102
+CC(C)N(C1CC(C(N2CCC(C2=O)N)CC1)NC(C)=O)C	334
+c1cc(ccc1Cl)CC2N3C(N(S(=O)(=O)c4c(cc(cc4)Cl)Cl)CC(N)C3=O)CN(C2=O)C(C)C	334
+c1(cccc(c1)C(=O)OC)N2CC(C2=O)N	334
+C1C(NC(c2nc(Cl)c(CC)[nH]2)=O)C(N)CN(C1)c3nc(C)c(C(=O)OCC)s3	102
+C1CN(CCO1)c2ccc3c(c2)C(C(C(C4CC4)N3C(C)=O)C)N	102
+c1cccc2CCC(c3nccn3-c12)N	102
+c1cc(ccc1OCCCN2CCCC2C)-c3sc4CCC(c4n3)N	102
+C(CN1CC(CCC1)CN)N2c3nc(OC)ccc3N=CC2=O	102
+C(N1C(=O)C=Cc2ncc(OC)cc12)CN3CC(CCC3)CN	102
+c1ccccc1COC(=O)NCCC(NCC(=O)CC)=O	86
+c1cc(ccc1)COC(NCCCCCCCCNCC=C)=O	15
+c1ccccc1COC(NCCCCN(Cc2ccc(cc2)CN(Cc3n(C)ccn3)Cc4[nH]ccn4)C)=O	566
+c1cc(ccc1CN(Cc2n(C)ccn2)Cc3[nH]ccn3)CN(CCCCN)C	102
+c12ccccc1c(ccc2OCC(O)CO)CCCCN	102
+c1cc(ccc1OCC(Nc2ccccc2)=O)CCCCN	102
+n1c(C)cc(CCCN)n1CC	102
+O=S(=O)(N)NCCCCC	5100
+C(OC(=O)Nc1cc(c(N)cc1)O)C	890
+CC(C)c1ccc(cc1C)NC(c2cc(-c3cc(c(nc3)O)N)ccn2)=O	5101
+c1ccccc1COC(Nc2cc(cnc2O)-c3ccnc(c3)C(=O)Nc4cc(C)c(cc4)C(C)C)=O	104
+c12ccc(OCCOC)cc1[nH]c3c(ncc(-c4cccc(N)c4C)c23)C(=O)N	890
+c1ccccc1COC(Nc2cccc(c2C)-c3c4c([nH]c5c4ccc(c5)OCCOC)c(nc3)C(O)=O)=O	6
+n1c(ccc(c1)CCCC)N	5104
+n1c(N)cc(n1C)C(=O)OC	5104
+c1ccccc1COC(c2c(cc(C(O)=O)cc2)C)=O	1
+c1ccccc1COC(c2cc(ccc2OC)CO)=O	41
+c1ccccc1COc2ccc(cc2C(=O)O)Cl	426
+c1ccccc1COC(=O)c2ccc(cc2)N	0
+C1CC2(CCN1C(=O)c3cc(OC)c4cccc(OC)c4n3)Oc5c(C(=O)C2)cc(cc5)C(=O)O	426
+c1ccccc1COC(n2c(nc3cc(c(Cl)cc23)Cl)-c4cc(c(cc4)OC)N)=O	0
+C(=O)(OCC)C(C(=O)OCC)Oc1c2c(ccc1)[nH]cc2	11146
+O=S(=O)(NCC=1OC(=C(OCc2ccccc2)C(C=1)=O)C(O)=O)c3cc(C)ccc3	4970
+c1ccccc1S(=O)(=O)NCC=2OC=C(C(C=2)=O)OCc3ccccc3	2422
+c1ccccc1COC2=COC(=CC2=O)CN	1426
+O=S(=O)(NCC1=CC(=O)C(=CO1)O)c2cc(C)ccc2	2306
+CC1(C)Cc2n(nc(c2C(C1)=O)CC)-c3ccc(C(=O)N)c(NC4C(O)CCCC4)c3	118
+C1C(CC1S(=O)(=O)NC=2C(=C(C(=O)N3CCSC=23)C)Nc4ccc(I)cc4F)O	118
+c1c(F)c(c(cc1-c2ccc(cc2)S(=O)(=O)C)F)OC3CCCC(O)C3	118
+O=S(=O)(c1ccccc1Cl)NCC=2OC(C=O)=C(OCc3ccccc3)C(=O)C=2	3124
+O=S(=O)(NCC1=CC(C(=C(C(O)=O)N1C)O)=O)c2cccc(C)c2	4957
+c1ccccc1COCC(C)(C)C(N(c2ccccc2)CC(O)=O)=O	3
+c1cc(ccc1)COCC2n3c(COC2)nc4cnc5ccccc5c34	2130
+NC(c1c(N)c2c(nc(nc2s1)CC(CO)C)-c3ccc(c(c3)Cl)Cl)=O	118
+c1ccccc1COCC(CCC=O)OS(=O)(=O)C	24
+c1ccccc1COCC2OCCCC2S	1113
+S(C1C(CO)OCCC1)CCCCCCCCCCCCCCCC	118
+c1cc(ccc1)COCC(CCCO)O	95
+C1OC(CC2CSC(NC12c3c(cccc3)F)=N)CO	11147
+c1ccccc1COCCC(CC=C)CO	44
+O1CCOC1C(CCC=O)CCOCc2ccccc2	24
+c1ccccc1COCCC2CCC=C(C2)CO	2569
+c1ccccc1COCCC2CCC(CC2)=O	97
+c1ccccc1COCCC2CC(COC)=CCC2	4122
+c1ccccc1COCCCCc2ccc3ncn(-c4sc(C(=O)OCC)c(n4)-c5cccc(Cl)c5)c3c2	374
+c1ccccc1COCCCCNCCC	15
+c1ccccc1COCCCC(C)(C)COS(=O)(=O)CCCN	18
+O=S(=O)(CCCNC(C)=O)OCC(C)(C)CCCO	118
+CC(C)Cc1sc(-c2onc(C(CC(Nc3c(Cl)cc(cc3)C)=O)CCCO)c2C4CC4)cn1	118
+O=S(=O)(NC=1C(Nc2c(F)cc(I)cc2)=C(C(N3CCOC=13)=O)C)C4(CC4)CCCO	118
+C1COC2(O1)COC(CCC2)(CCCCO)C	118
+c1ccccc1COCCCCCCCCCCCS	1113
+c1ccccc1COCCCCN(C(=O)c2cc(C(O)=O)cc(C)c2)CCC	6
+Clc1cccc(c1)-c2nc(-n3cnc4c3cc(cc4)CCCCO)sc2C(=O)OCC	118
+C(C)OC(C1(Oc2cc(ccc2CC1)OCCCO)CC)=O	118
+c1cc(ccc1CO)CCCOCc2ccccc2	41
+n1[nH]c2c(C(N(C(=O)N2CCO)CCCC)=O)c1NC	118
+CCOC(=O)CCCCCOCCOCCOCCOCCOCCOCCO	118
+O(CCOCCOCCOCCOCCOCCO)CCOCCOCCOC	118
+c1cc(ccc1-c2c(nc(N)nc2COCc3ccccc3)N)N	0
+c1ccccc1COCc2nc(c(cn2)C(=O)O)O	6
+c1ccccc1COCc2ncc(N)c(O)n2	193
+c1ccccc1COCn2c3c(nc(nc3N)CCCC)c(c2C)CCCCO	2065
+c1ccccc1COCn2c(c(CCCC=O)c3nc(nc(N)c23)CCCC)C	24
+c1cc(ccc1)OC(=O)NOCc2ccccc2	11148
+CCOP(OCC)(=O)C(CC(O)C(O)C(CN(C=O)O)O)O	2618
+c1ccccc1CON2C(C=C(c3cncnc23)O)=O	11149
+C1CCCN1c2cc3c(C(=O)N(O)C(=O)N3c4ccc(cc4F)F)cc2F	2650
+C1CCN(C1)c2nc3N(c4c(F)cc(cc4)F)C(N(O)C(=O)c3cc2F)=O	2650
+c1ccccc1CON2C(=O)c3c(cc(F)c(c3)F)N(c4c(cc(cc4)F)F)C2=O	11150
+c1ccccc1COc2ccccc2-c3c(-c4c(ccc(Cl)c4)C(OCC)=O)cccc3	562
+c1c(ccc(c1F)NC(Nc2nccs2)=O)Oc3c4cc(C#N)c(O)cc4ncc3	16
+c1ccccc1OC(=O)Nc2c(cc(Oc3c4cc(c(cc4ncc3)OCc5ccccc5)C#N)cc2)F	90
+c1ccccc1COc2cc(ccc2C#N)-n3nccc3	926
+c1ccccc1COc2cccnc2CN	421
+c1([N+]([O-])=O)ccc(C(=O)NC(C(C)O)C(=O)NCC)c(c1)O	16
+c1ccccc1COc2c(ccc([N+]([O-])=O)c2)C(NC(C(=O)O)C(O)C)=O	4
+c1ccccc1COc2ccc(cc2C(=O)O)C=C	1
+c1ccccc1COc2ccsc2C(O)=O	1
+c1ccccc1COc2c(C(=O)O)cc3c(ccc(OCc4ccccc4)c3)c2	426
+c1ccccc1CNc2nc(c(O)c(C)c2C)C	321
+c1cc(ccc1)C(Oc2cc(c(O)c(c2)C)CC)=O	16
+Cc1c(ccc(Oc2cc(C(=O)O)ccc2)c1)O	16
+c1ccccc1COc2cc(ccc2C)C=O	39
+c1ccccc1COc2c(C=CC(O)CC(O)CC(=O)O)c(Cl)cc(c2)Cl	4
+c1ccccc1COc2c(ccc(C(C)C)c2)CC[N+]([O-])=O	364
+Oc1c(CNC(NCCO)=O)cccc1	16
+c1cc(ccc1)COc2c(cccc2C)C=O	39
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c(C#N)cnc4c3cc(N)c(OCC)c4	106
+c1cc(ccc1)COc2ccc(-n3ccc4c(c(cc(c34)Br)F)OCc5ccccc5)cc2F	1194
+c1ccccc1COc2c(cc(c(F)c2)N)F	0
+c1cc(ccc1)COc2c(N)cc3ccccc3c2	106
+c1ccccc1COc2c(OC)cc3c(oc(c3)C(=O)OCC)c2	5043
+c1(oc2cc(c(cc2c1)OC)O)C(=O)OCC	16
+c1ccccc1COc2cc(ccc2OC)CC(CC)[N+](=O)[O-]	3150
+c1ccccc1COc2cccc(C)c2N	0
+c1ccccc1COc2c3nc(n(CC)c3ccc2)C	2739
+c1ccccc1COc2ccc(cc2N)OCC#N	0
+c1ccccc1COc2ccc(cc2[N+]([O-])=O)CO	41
+CC(C)Oc1c(c2C(=O)N(CCc2cn1)Cc3c(nc(cc3C)C)O)Cl	700
+c1ccccc1COc2c(C=CC(CC(O)CC(OC)=O)O)c(Cl)cc(c2)Cl	770
+C1Cc2c(C1=O)c(c(O)c(c2)O)[N+]([O-])=O	16
+c1ccccc1COc2cc(cc(N)c2O)-c3ccc(cn3)C=C4SC(=O)NC4=O	0
+c1ccccc1COc2cc(Br)cc3c2n(CCOC)c(n3)C	2739
+CC(C)c1nc(oc1OCC)-c2c(Cl)cccc2O	16
+c1ccccc1COc2c(N)c(ncc2)N	13
+CN(C)c1c2c(ccc1O)C3CCC4(C(CCC4=O)C3CC2)C	16
+c1(cc(c(O)c(c1)F)OC)C(=O)O	16
+c1ccccc1COc2ccc(cc2C(O)(Cn3cncc3)C)Cl	2930
+c1ccccc1COc2ccc(F)cc2N	0
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(cc3o2)N(S(=O)(=O)C)c4cc(c(O)cc4)F)C5CC5	16
+Fc1c(cc(F)c(c1)N)O	16
+c1cc(ccc1)COc2cc(c(Br)cc2C(O)=O)OCc3ccccc3	1
+c1ccccc1COc2cc(c(cc2OC)Br)N	0
+c1ccccc1COc2c(C(=O)OC)cc(C=C)cc2	2864
+c1c(C)c(ccc1CC(N)=O)O	16
+c1cc(ccc1)COc2ccc(c(OCC(c3ccccc3)O)c2)OCc4ccccc4	74
+c1ccccc1COc2ccc(N)cc2CO	0
+Fc1cc(cc(F)c1OCc2ccccc2)N	0
+CC(C)(COC)C1N2C(=CC(C(C(OCC)=O)=C2)=O)c3cc(c(cc3C1)O)OC	16
+c1ccccc1COc2cc3CC(N4C=C(C(=O)C=C4c3cc2OC)C(=O)OCC)CC	2746
+c1ccccc1COc2c(cc3c(nccc3Oc4ccc(cc4)N)c2)C#N	0
+c1c(cc(c(Nc2c3c(cc(c(OC)c3)O)ncn2)c1)F)Br	16
+Clc1cc(c(Nc2c3c(cc(c(OC)c3)O)ncn2)cc1)F	16
+c1ccccc1COc2cc3c(cc2OC)nc(O)c(c3)C(=O)O	1
+Cc1ccccc1-c2ccc(C(OC)=O)nc2-c3ccc(c(c3)O)Cl	16
+c1ccccc1COc2cc(C(=O)NCC)ccc2N	0
+c1ccccc1COc2c(CCN)ccc(C(C)C)c2	157
+c1ccccc1COc2c(I)ccc(c2)CO	49
+c1ccccc1COc2c(ccc(C=O)c2Cl)O	5
+C(OC(CCc1ccc(OCCOC)cc1O)=O)C	16
+c1ccccc1COc2cc(ccc2CCC(=O)OCC)OCOC	159
+c1cccc(c1O)-c2cocn2	16
+c1ccccc1COc2c(CN)cccc2	162
+c1c(CC(OC)=O)c(c(cc1)C#N)O	16
+c1ccccc1COc2cc(cc(CO)c2O)F	2937
+c1(O)c(ccc2c1cc(C(=O)OC)[nH]2)OC	16
+C(C)OC(c1cc2c(cc(C)cc2O)[nH]1)=O	16
+c1cc(ccc1)COc2ccc(-n3ncc4c(OCc5ccccc5)cccc34)cc2F	1708
+c12ccc(cc1c(cc(CC(OC)=O)c2)O)F	16
+Clc1cc(O)c2cc(oc2c1)-c3nc4sc(OC)nn4c3	16
+n1c(cn2nc(C(C)F)sc12)-c3cc4c(cc(OC)cc4O)o3	16
+c1c2cc(OC)ccc2[nH]c1C(=O)N3c4c(C(CCl)C3)c5cccnc5c(O)c4	321
+n1c(cn2nc(sc12)OC)-c3cc4c(cccc4O)o3	16
+c1cc(ccc1)COc2cc(c(c3ccccc23)CCOC(C)=O)N	0
+CN(C)C(=O)c1cc2nc(C)n(CCOC)c2c(O)c1	321
+n1(c2c(cc(cc2nc1C)C(=O)OC)O)CCOC	321
+Cc1nc2c(cc(C)cn2c1C(=O)OCC)O	11151
+c1c2ncc(n2ccc1OCCOC)-c3nc4c(cc3)cccc4O	321
+c1c(cccc1-c2cc(O)c3nc(cc(O)c3c2)C(OC)=O)C	321
+c12c(cccc1n(c(C)n2)CC)O	321
+C1CCC(C1)S(=O)(=O)c2cc(c(O)c3c2cccn3)Cl	321
+c1ccccc1COc2cc(c(OC(C)C)cc2)-c3nc4c([nH]3)cc(cn4)C=O	200
+c1ccccc1COc2cc(-c3c4c(N)ncnc4n(c3)C5CC(C5)C(O)=O)ccc2	4
+c1c(OC)c(cc(-c2c3c(n(c2)-c4cc(ccc4)OCCn5ccnc5)ncnc3N)c1)O	16
+c1ccccc1COc2cc(-c3cn(c4ncnc(N)c34)-c5cccc(OCCn6cncc6)c5)ccc2OC	871
+c1ccccc1COc2cc(-c3[nH]c4ncc(CO)cc4n3)c(cc2)OC(C)C	351
+c1ccccc1COc2cc(c(N)cc2OC)C#N	0
+c1ccccc1COc2cc(C(=O)c3ncc(C)s3)c(OC)cc2	11152
+c1ccccc1COc2ccc(c(C)c2)CC(C(=O)OC)OCC	3168
+c1cc(ccc1)COc2cc(c(C=C(OCC)C(OCC)=O)cc2)C	11153
+c1ccccc1COc2cc(C=O)c(N)cc2OC	0
+c1ccccc1COc2cc3CC(CC)N=Cc3cc2OC	2742
+c1cc(ccc1)COc2cc(c3cc(C(OCC)=O)[nH]c3c2)Cl	4592
+c1ccccc1COc2cc(Cl)cn3ncc(CO)c23	11154
+c1ccccc1COc2c(N)ccc(I)c2	0
+c1ccccc1COc2cc(N3c4c(C5(CC5)C3)c(C)nc(n4)-c6ccc(OC)c(c6)F)ccc2	15
+C1CC12c3c(C)nc(-c4ccc(OC)c(c4)F)nc3N(C2)c5cccc(O)c5	16
+c1(ccc(C)n1-c2cccc(n2)-c3cc(CC)c(cc3OC)O)C	16
+c1ccccc1COc2c(ccc(c2)OCCOC)CCC(=O)OCC	159
+c1ccccc1COc2cc3onc(N)c3cc2	11155
+Cc1cc(cc(C)c1Oc2ccc(OC)c(O)c2)[N+]([O-])=O	16
+c1ccccc1COc2c(cc(C(=O)C)c(c2)N)OC	0
+c1ccccc1COc2cc([N+]([O-])=O)c(c3ccccc23)CCO	44
+c1ccccc1COc2cc(ccc2NC(C)=O)N	0
+c1c(ccc(CC(OCC)C(OC)=O)c1CC)O	16
+c1c(F)c(c(cc1)F)C(Nc2nn(cc2)Cc3c(cc(O)cc3)Cl)=O	16
+c1(ccc(C)n1-c2cccc(-c3ccc(cc3C4CC4)O)n2)C	16
+CC(C)(C(OC)=O)Oc1c(C)cc(cc1)O	16
+c12c(Oc3cc(O)cc(OC)c3C1=O)cccc2	16
+c1ccccc1COc2cc(CO)cc(F)c2OC	98
+c1ccccc1COc2cc(cc3c2C(OB3O)CC(OCC)=O)O	805
+C(OC(=O)CC1c2c(B(O1)O)cc(Oc3cnccn3)cc2O)C	16
+Cc1cc2c(cc(C(=O)N)[nH]2)c(c1)O	16
+c1ccccc1COc2cc(cc3B(OC(CC(OCC)=O)c23)O)Oc4nccnc4	842
+c1ccccc1COc2cc(ccc2)-c3c(cc(cc3)Cl)N	0
+c1ccccc1COc2cccc(-c3cc(CCCO)ccc3)c2	21
+c1nc(ncc1Br)Nc2cccc(OCc3ccccc3)c2	55
+N=C(Nc1cccc(c1)O)N	16
+c1cc(-n2nccc2)cc(c1C#N)O	16
+c1ccccc1COc2cc([N+]([O-])=O)ccc2C(=O)O	1
+c1(cccc(c1)C(=O)N)N2C(CC(c3c(cc(OC)cc3)O)C2)=O	16
+C(OC(CCc1ccc(cc1O)OCOC)=O)C	16
+c1ccccc1COc2cc(cc3c(O)cc(C(OC)=O)nc23)Br	11156
+c1ccccc1COc2cc(ccc2O)CC(O)=O	3
+c1ccccc1COc2cc(ccc2OC)C3CNC(=O)C3	11157
+C1NC(=O)CC1c2ccc(OC)c(c2)O	16
+c1ccccc1COc2cc(ccc2OC)CC(CC)N	157
+c1ccccc1COc2cc(N)ccc2OCCOC	0
+c1ccccc1COc2c([N+]([O-])=O)ccc(c2)CO	41
+c1ccccc1COc2cc(ccc2N)CC(C(=O)CC)C	0
+c1ccccc1COc2cc(cnc2Nc3scc(C)n3)CC=O	11158
+c1ccccc1COc2cc(cnc2Nc3scc(C)n3)C=COC	5008
+c1ccccc1COc2ccc3C(=O)N(CC(C)C)C(=C(c4ccccc4F)c3c2)C(O)=O	127
+c1ccccc1COc2cc3C=CCc3cc2	1358
+c1ccccc1COc2c(cc3C4=CC(C(C(OCC)=O)=CN4C(C(C)(C)COC)Cc3c2)=O)OC	2746
+C1(C(=O)OCC)=CN2C(CC)Cc3c(cc(OC)c(c3)O)C2=CC1=O	16
+CC1(C)c2ccc(O)cc2OC1	16
+c1ccccc1COc2cc3C(CCc3cc2)O	74
+C(C(=O)OCC)c1c2c(cc(O)c1)cccc2	16
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(c(OC)c3)O	16
+c1(cc2c(c(C#N)cnc2cc1F)Cl)O	16
+O(C)CCOc1cc2ncc(C#N)c(c2cc1O)Cl	16
+c1ccccc1COc2cc3c(cc2)CNCCO3	162
+c1c2c(ccc1O)n(cc2)Cc3cc(ccc3)C(=O)OC	16
+c1ccccc1COc2ccc3ncc(c(NC)c3c2)N	13
+c1c2c(ccc1O)n(cc2)C	16
+c1ccccc1COc2ccc3c(n(C4OCCCC4)nc3C=O)c2	178
+c1ccccc1COc2nn3CCNCc3c2	729
+c12nc(sc1c3ccc(cc3nc2)O)CCC	16
+c1([nH]nc(c1)Nc2c3ccc(cc3ncn2)O)CC(Nc4cccc(c4F)F)=O	16
+c1(cc(c(cc1)O)C#N)-c2cc(ccn2)C(=O)OC	16
+c1ccccc1COc2cc3OCC(C)(C)c3cc2	11159
+O=S(=O)(Nc1c(OCc2ccccc2)ccc(C(CBr)O)c1)C	74
+c1ccccc1COc2ccc(C(O)CN3CCC(CC3)(c4ccc(OC)nc4)O)cc2F	74
+c1ccccc1COc2ccc(C(O)CN)c3SC(Nc23)=O	18
+C1CN(CCC1(c2ccc(OC)nc2)O)CC(O)c3cc(F)c(O)cc3	16
+c1ccccc1COc2ccc(C)c(c2F)C(O)=O	1
+c1ccccc1COc2ccc(cc2CC)O	1437
+c1ccccc1COc2ccc(cc2N)CCN	51
+c1ccccc1COc2ccc(CC#N)cc2N	0
+C1CCN1C(Cc2ccc(cc2C#N)O)=O	16
+C(C)OC(c1n(c2c(c(Cl)ccc2O)c1)C)=O	321
+Clc1cc(C(Nc2nnn[nH]2)=O)c(cc1)O	16
+c1ccccc1COc2ccc(Cl)cc2Cn3ncc([N+]([O-])=O)c3	309
+c1ccccc1COc2ccc(Cl)cc2Cn3nc(cc3C)C#N	331
+c1ccccc1COc2ccc(cc2Cn3ncc(N)c3)Cl	209
+c1cc(cc(F)c1OC(C)C(OCC)=O)O	16
+C(C(OCC)C(OC)=O)c1ccc(cc1C)O	16
+c1ccccc1COc2cc(c(-c3c(ccc(C(C)C)c3)OC)cc2)CO	41
+c1ccccc1COc2cc(c(CC(C(=O)OC)OCC)cc2)CC	3168
+c1cc(ccc1)COc2cc(ccc2CO)OCc3ccccc3	41
+c1c(F)c(c(cc1)F)C(Nc2nn(cc2)Cc3c(C)cc(cc3)O)=O	16
+c1c(F)c(c(cc1)F)C(Nc2ccn(Cc3c(ccc(O)c3)Cl)n2)=O	16
+c1ccccc1COc2c(c(N)c(C#N)cc2)OC	0
+c1cc(ccc1-c2n(-c3ccc(Cl)cc3Cl)nc(C(=O)OCC)c2C)O	16
+c1ccccc1COc2cc3c(c4c(c(cc(Br)n4)C(=O)OC)[nH]3)cc2	5075
+c1cc(ccc1)Cc2ccc(cc2)OCCCn3c(-c4ccc(cc4)OCc5ccccc5)ccc3C	20
+c1cc(ccc1-c2n3nccc3nc4CCCc24)O	16
+C1CCCCN1NC(c2nc(n(c2C)-c3ccc(cc3)O)-c4c(Cl)cc(cc4)Cl)=O	16
+c1cc(ccc1-n2c(c(nc2-c3ccc(cc3Cl)Cl)C(=O)OCC)C)O	16
+c1ccccc1COc2ccc(cc2)-n3c(-c4c(Cl)cc(cc4)Cl)nc(C(=O)O)c3C	6
+c1cc(ccc1C(Cc2ccncc2)=O)O	16
+c1cc(ccc1C(CO)CO)OCc2ccccc2	1257
+c1cc(ccc1-c2nc(on2)-c3ccc(cc3)OCc4ccccc4)Oc5ccncc5	2304
+c1cc(ccc1C(NCCC(=O)OC)=O)O	16
+c1ccccc1COc2ccc(cc2)C(CNC3CCc4c(C3)cc(cc4)O)O	15
+c1cc(ccc1C2(CC2)c3nc4c(nc(-c5c(F)cc(cc5)CN6CC(C6)C(OC)=O)s4)cc3)O	16
+c1ccccc1COc2ccc(cc2)C3(CC3)c4nc5c(nc(-c6c(F)cc(cc6)C=O)s5)cc4	2910
+c1cc(ccc1C2=CC=CN(C2=O)C)O	16
+c1cc(ccc1C2C(F)(F)CN(CC2)C3C(N(Cc4cc(c(C)cc4)F)CC3)=O)O	16
+c1cc(ccc1CC2OC(C)(C)OC2=O)O	16
+c1ccccc1COc2ccc(cc2)CCCN	51
+c1cc(ccc1CCCN)O	16
+C1C(CC1)(C2=NCCc3ccc(OCc4ccccc4)cc23)c5c(cc(cc5)Cl)OC	1120
+c1cc(ccc1O)Cc2cc(-c3cccnc3N)on2	16
+c1cc(ccc1O)Cc2noc(c2)-c3ccc(N)nc3N	16
+c1ccccc1COc2ccc(cc2)Nc3ncnc4cnc(cc34)-c5nnc(o5)C	73
+c1ccccc1COc2ccc(cc2)N(c3ccc(cc3)C(COC)C)C	21
+c1ccccc1COc2ccc(cc2)N(C)c3ccc(cc3)C(CCN)C	51
+c1ccccc1COc2ccc(cc2)N(C)c3ccc(cc3)C(C)CO	88
+c1cc(ccc1O)N2c3c(N(C(C)C)C2=O)cccn3	16
+c1ccccc1COc2ccc(cc2)N3CC(CC3=O)COC	21
+c1cc(ccc1O)N2C(N(c3cccnc23)CC)=O	16
+c1cc(ccc1N2CC(CO)CC2=O)OCc3ccccc3	88
+c1cc(ccc1Oc2nc(ncc2)Cl)OCc3ccccc3	185
+c1cc(ccc1OCCBr)O	16
+c1cc(ccc1OCCCc2ccc(cc2)OCc3ccccc3C(OC)=O)O	16
+c1ccccc1COc2ccc(cc2)OCCCc3ccc(cc3)OCc4c(C(=O)O)cccc4	1
+O(CC)C(c1cccc(-c2ccccc2-c3c(ccc(Cl)c3)O)n1)=O	16
+c1ccccc1COc2ccc(Cl)cc2C(=O)Nc3[nH]nnn3	4713
+CCC(CC)(c1ccc(O)c(c1)C)c2oc3c(ccc(C(=O)OC)c3)n2	16
+c1ccccc1COc2ccc(N)cc2Cl	0
+c1c(cc2n(ncc2c1O)-c3cc(F)c(cc3)O)F	16
+c1(ccc(OC)nc1C(=O)OC)O	321
+c1ccccc1COc2cc3c(C(N(CC(C)C)C(CO)=C3OCCCC)=O)cc2	3747
+c1ccccc1COc2cc3c(C(N(C(CO)=C3c4c(F)cccc4)CC(C)C)=O)cc2	11160
+c1ccccc1COc2ccc3OC(C)(C)CC(O)c3c2	74
+c1ccccc1COc2cc3C=CC(C)(C)Oc3cc2	1358
+c1ccccc1COc2ccc3c(c2)c4n(c(nc4c(n3)N)CC)C	445
+c1c2cc([nH]c2ccc1O)CC(C)C(OC)=O	16
+c1ccccc1S(=O)(=O)n2c3ccc(OCc4ccccc4)cc3cc2	367
+c1ccccc1COc2ccc3c(nc(N)c4c3n(c(n4)COC(C)=O)CC(C)(C)O)c2	445
+n1(c2ccc(O)cc2c(C(=O)C)n1)CC(OC)=O	16
+c1(n(c2c(c(N)nc3ccc(O)cc23)n1)C)CC	16
+c1ccccc1COc2ccc3c(ncc4c3C(O)CCC4)c2	59
+c1cc2c(cc(cc2)C(=O)O)cc1O	16
+c1c2c(ccc1O)n(cc2)C(C(OC)=O)C	16
+c1c2c(n(CC(OCC)=O)cc2)ccc1O	16
+Clc1cccc(c1)-c2c(C(=O)N)sc(-n3cnc4c3cc(cc4)O)n2	16
+c1ccccc1COc2ccc3c(n(cn3)-c4nc(c(C(=O)O)s4)-c5cc(ccc5)Cl)c2	6
+C1CCCN1c2cc(C)nc3c2ccc(O)c3	16
+O=S(=O)(C)NC(C)(C)Cn1c2c3c(ncc2nc1COCC)cc(O)cc3	16
+c1ccccc1COc2cc3n(C4OCCCC4)nc(CO)c3cc2	194
+CC(C)n1c(C(O)=O)cc2cc(OCc3ccccc3)ccc12	6
+c1ccccc1COc2ccc3n(CCC(=O)O)ccc3c2	3
+c1c2c(ccc1O)n(CCC(OC)=O)cc2	16
+c1c2cc3C(=O)NCC(n3c2ccc1O)C	16
+C1CC(CCC1)C(c2oc3c(c2C)cc(OCc4ccccc4)cc3)O	11161
+c1ccc(O)cc1-c2cc(CCCO)ccc2	16
+C1CCC1(Oc2cc(-c3cccc(O)c3)ccc2)C(=O)OCC	16
+c1ccccc1COc2cccc(C3CC(=O)NC3)c2	1980
+c1cc(ncc1Br)NC(c2cccc(c2[N+]([O-])=O)O)=O	16
+c1ccccc1COc2cc(ccc2)C=CCO	5083
+c1ccccc1COc2cccc(C=O)c2C	39
+c1ccccc1COc2cccc(F)c2N	0
+CCOC(OCC)c1cc2cncc(-c3cc(O)ccc3)c2o1	16
+C1COCCN1c2nc(nc3c2[nH]cc3)-c4cc(ccc4)OCc5ccccc5	4161
+c1ccccc1COc2cccc(CO)c2C	49
+c1(cc(c2cccc(c2n1)O)OCC(OCC)=O)C	321
+c1(cc(c2cccc(c2n1)O)C(=O)OCC)C	321
+C(C)OC(c1n(c2cccc(c2c1)O)C)=O	16
+c1cc(ccc1Cc2c(OCc3ccccc3)cccc2)CO	49
+c1ccccc1COc2c3n(ccc2)cnc3	1905
+c1ccccc1COc2c(cncc2)N	13
+CC(C)(C)[Si](C)(C)OCc1c(cncc1O)OCc2ccccc2	321
+c1ccccc1COc2nc(C)cc(C)c2CN3C(c4c(CC3)c(cc(C(CC)O)c4Cl)Cl)=O	74
+c1(nc(O)c(c(C)c1)CN2C(=O)c3c(CC2)c(Cl)cc(c3Cl)C(OC)CC)C	700
+c1ccccc1COc2cc3n(CCNC3=O)n2	780
+c1cc(ccc1N2C(C=3N(CC2)NC(=O)C=3)=O)F	11162
+c1cc(ccc1F)C(N2CC=3N(NC(=O)C=3)CC2)=O	11163
+c1ccccc1CS(=O)(=O)NC2=CN(C(=O)N(CC(=O)O)C2=O)COC	3
+c1ccccc1CS(c2ccc(c([N+]([O-])=O)c2)N)=O	106
+c1cc(ccc1)CS(=O)c2ccc(N)c(N)c2	0
+c1ccccc1CSC(CCC)(C)CCO	44
+C(C)CC(C)(CCO)S	11164
+c1ccccc1CSc2c(cc(N)cn2)C(C)C	13
+c1ccccc1CSc2nc(N)c(c(Cl)n2)N	193
+Nc1sc2c(nc(nc2n1)S)NC(C)CO	11165
+c1cc(ccc1)Cc2c(nnn2-c3c(cccc3)F)C(O)=O	1
+c1ccccc1Cc2nnc(N3CCN(C(C)C3)c4ncc(nc4)C(=O)OC)c(c2C)C	317
+c1ccccc1Cc2c(ccc(CO)c2)F	41
+c1ccccc1Cc2c(ccc(-c3ccc(CCC#N)cc3CC(C)C)c2)O	5
+O=S(=O)(N)c1cc(cc(SC)c1Cc2ccccc2)CO	217
+c1cc(ccc1)Cc2c(Oc3c(cc(F)cc3)C(C)O)nc4c(cc(cc4)NC(Nc5cccc([N+](=O)[O-])c5)=O)c2	74
+C1CN(CCN1c2ccc(N)cn2)c3nnc(c4ccccc34)Cc5ccccc5	13
+C1CN(CCN1c2ncc(cn2)C#N)c3nnc(c4ccccc34)Cc5ccccc5	117
+c1ccccc1-c2cn(-c3ccc4c(cc(Cc5ccccc5)c(n4)Oc6c(cc(F)cc6)C(C)O)c3)nn2	74
+c1ccccc1Cc2cccc(c2)-c3nc(c(N)c(n3)O)N	11166
+c1cc(ccc1)Cc2c(cccc2)CO	217
+c1ccccc1Cc2nc(no2)CCCN3C(N(CCCC)c4c([nH]c(Cl)n4)C3=O)=O	3251
+c1ccccc1Cc2nnc(N3CCN(C(C)C3)c4ncc(nc4)C(=O)O)c(c2C)C	1
+c1ccccc1Cc2onc(C(=O)O)c2	6
+c1ccccc1Cn2c(C)nc3N(C(N(C(c23)=O)CCCCC(O)C)=O)C	59
+Cc1nc2N(C(N(CCCCC(O)C)C(c2[nH]1)=O)=O)C	2152
+c1ccccc1Cn2c(ccc2-c3ccc4c(ccc(OCC(O)=O)c4)c3)-c5ccccc5	4
+c1ccccc1Cn2c(-c3cc4ccc(O)cc4cc3)ccc2-c5ccccc5	5
+c1cc(ccc1)CN2C(=O)Nc3c(nc(NCCOC)nc23)N	1604
+c1ccccc1Cn2c3c(c4c2ccc(C)c4)c(ccc3)OCCNC	695
+c1ccccc1Cn2c3c(cc2C)c(O)ccc3	5
+c1ccccc1Cn2c3c(c(C(N)=O)ccc3)c4c2cccc4OCC(O)=O	4
+c1ccccc1Cn2c3c(cc(OCCCC(O)=O)cc3)c(CC(=O)N)c2	3
+c1ccccc1Cn2c3c(O)ncc(Br)c3cc2C(OCC)=O	3107
+c1ccccc1Cn2c3cc(cc(C(N)=O)c3c4cc(O)ccc24)-c5c(C)noc5C	5
+c1ccccc1Cn2c3c(c(C(O)=O)cc(c3)-c4c(C)noc4C)c5cc(ccc25)OC	1
+c1ccccc1Cn2c3c(c4c(cccc24)OCCN)cc(C)cc3	51
+c1ccccc1Cn2c3c(cc2C)c(O)ccc3	16
+c1ccccc1Cn2c(CC)cc3c(O)cccc23	5
+c1ccccc1Cn2cc(c3cc(ccc23)OC)CC(=O)N	4674
+c1ccccc1Cn2cc(c3cc(O)ccc23)CC(=O)N	5
+c1cc(ccc1)Cn2c(cc(n2)OCCC)CCC(OCC)=O	1253
+c1cc(ccc1)Cn2ncc(c2C(=O)O)C(OCC)=O	6
+c1ccccc1N(C(=O)CC)C2CNCCC2	25
+c1cc(ccc1)N(CCNC)c2cccc3[nH]ccc23	15
+c1ccccc1N2C(C=3C(C(C(O)=O)=CNC=3)=N2)=O	108
+c1cc(ccc1)N2C(=O)c3c(C(=N2)CC(O)=O)c4c(cccc4)n3C	992
+c1ccccc1N2CCN(CC2)CCCOc3c(Cl)ccc(N)c3	0
+c1cc(ccc1)N2CCN(CC2)CC(=O)Nc3cccc(-c4cnc5c(n4)cccc5)c3	224
+C1CCCCCC1(N2CCC3(CC2)C(NCN3c4ccccc4)=O)c5ccccc5	11167
+c1ccccc1N2N(C(=C(C(Nc3ncc(Oc4ccnc(N)c4)cc3)=O)C2=O)C)C	1779
+c1ccccc1OC(=O)Nc2nccc(Oc3ccc(NC(=O)C=4C(=O)N(c5ccccc5)N(C=4C)C)nc3)c2	278
+c1ccccc1N2N=C3C(CCc4c3cc(N)cc4)CC2=O	0
+C1CC(CCN1CCNc2ccccc2)OCOC	15
+c1ccccc1NC(c2cc(c(cc2)N)[N+](=O)[O-])=O	0
+c1cc(ccc1)NC(c2ccc(N)c(N)c2)=O	0
+c1ccccc1NC(=O)c2nccc(N3CC(CC3)=O)c2	86
+c1cc(ccc1)NC(C(=O)O)c2cccc(c2)F	4
+c1ccccc1NC(c2cccc(c2)C3Nc4c(C(C)(C)C3)cc(C(=O)O)cc4)=O	6
+c1ccccc1NC(c2ccnc(c2)O)=O	104
+c1ccccc1NCCn2c3ncnc(c3c(-c4cc(cc(O)c4)F)n2)N	5
+c1cc(ccc1)N(Cc2cc(O)nc3ccccc23)Cc4occc4	507
+c1ccccc1NS(=O)(=O)c2cc(CN)c(Oc3cc(c(SC)cc3)C)cc2	107
+c1cc(ccc1)Nc2cc(C(O)=O)ccc2C(O)=O	11168
+c1cc(ccc1)Nc2ccc(C(O)=O)cc2N	0
+CC1(C)c2c(-c3ccccc13)cc4c5ccccc5[nH]c4c2	11169
+c1ccccc1Nc2cccc(c2CN)-c3ccccc3	107
+c1cc(ccc1)Nc2ccccc2O	5
+c1ccccc1Nc2cnc(C(NCC(=O)O)=O)cc2	3
+c1ccccc1Nc2nc(cc(CO)n2)C	88
+c1cc(ccc1)Nc2nc(ccc2C(NC)=O)CCCCNC(NCc3cccnc3)=O	587
+c1ccccc1Nc2ncccc2N	13
+c1ccccc1Nc2nn(cn2)-c3cc(N)ncc3	755
+C1CN(CCC1N(C(Nc2cc(ccn2)Oc3cc(c(NC(C4(CC4)C(Nc5ccccc5)=O)=O)cc3)F)=O)C)CC	2562
+c1ccccc1OC(Cc2ccc(cc2)OCCNC(=O)c3ccc(cc3)-c4ccccc4)C(O)=O	3
+c1ccccc1OC(Cc2ccc(cc2)OCCN)C(OCC)=O	18
+c1cc(ccc1)OC(=O)Nc2cccc(C#Cc3cnc(nc3)N)c2	90
+c1ccccc1OC(Nc2cccnn2)=O	278
+c1ccccc1OC(=O)Nc2cnc(C#N)cn2	2205
+n1cc(cnc1Cl)C#Cc2cccc(c2)NC(=O)Oc3ccccc3	90
+c1cc(ccc1)OC(Nc2cc(-c3cnco3)cc(c2)-c4cnco4)=O	90
+C1CN(CCC1Cc2ccccc2)C(C(=O)c3ccc4c(c3)sc(N)n4)COc5ccccc5	155
+c1ccccc1OCC2CCC(CC2)N(C(Nc3ncc(SCC(O)=O)s3)=O)C4CCCCC4	3
+c1ccccc1OCC2OCCN(S(=O)(=O)c3c4c(c(cc(c4)Cl)N)[nH]c3C(=O)OCC)C2	13
+c1ccccc1OCCC(CO)N	95
+c1ccccc1OCCC2CN(C)CCN2	2062
+c1ccccc1OCCCCC(C(OCC)=O)C	2283
+c1ccccc1OCCCCC(CO)C	21
+c1ccccc1OCCCCC(C(O)=O)C	3
+c1ccccc1OCCCCCC(c2oc(-c3ncccc3)cn2)=O	11170
+c1ccccc1OCCCCCCCCCCCO	21
+c1ccccc1OCCCCCOc2cc(ccc2)N	0
+c1ccccc1OCCN(c2c(C(O)=O)nc(-c3ccc4OCCN(C(=O)Nc5nc6c(cccc6)s5)c4c3)s2)C	6
+c1ccccc1OCCNc2c(N)cnc3ccccc23	13
+c1ccccc1OCc2oc3ccc(cc3c2)CN	107
+c1cc(ccc1)Oc2c(ncc(Br)c2)NC(=S)N	401
+c1ccccc1Oc2cc3c(OC(=CC3=O)C(=O)O)cc2NS(=O)(=O)C	108
+c1cc(ccc1)Oc2c(Br)ccc(c2N)O	0
+c1ccccc1Oc2ccc(cc2N)F	0
+c1ccccc1Oc2c(cc(N)cc2)C	0
+c1cc(ccc1)Oc2ncccc2N	13
+c1ccccc1Oc2c(ccc3c2CCC(C)N3C(=O)C4CC4)-n5cccn5	901
+c1ccccc1Oc2ccc3CC(C(=O)c4oc(cn4)-c5nc(C(=O)OC)ccc5)CCc3c2	11171
+c1ccccc1Oc2cc(N)c(O)cc2	0
+c1cc(ccc1CCC(S(=O)(=O)C)(C)C(=O)O)Oc2ccccc2	3
+c1ccccc1Oc2ccc(cc2)COc3c(F)cc(cc3)CCC(O)=O	3
+c1ccccc1Oc2ccc(Cl)cc2N	0
+c1ccccc1Oc2c(N)cc(cc2)O	0
+c1ccccc1Oc2ccc3CC(C(=O)c4oc(cn4)-c5nc(C(=O)O)ccc5)CCc3c2	1
+c1ccccc1Oc2cccc(c2)C(CO)C#N	237
+c1cc(ccc1)Oc2cccc(c2N)CC(=O)OCC	0
+c1cc(ccc1)Oc2cccc3NC(C)CCc23	2648
+c1ccccc1Oc2c(cccc2)Cn3ccc(C(=O)O)n3	6
+c1ccccc1Oc2ncc(cn2)-c3[nH]nc(c3)C(O)=O	6
+c1ccccc1Oc2nccc(n2)C(=O)O	1
+c1ccccc1P(c2ccccc2)c3ccc4ccccc4c3-c5c(ccc6ccccc56)NS(=O)(=O)C	11172
+c1cnccc1-c2ccnc3ccc(cc23)C=CC(=O)OC	530
+O=C(OCC)C(C)=Cc1ccc([N+]([O-])=O)cc1F	11173
+c1ccccc1S(=O)(=O)C2CN(C(C(=O)O)C2)c3cc(C)nn3-c4cc(Cl)ncc4	4
+c1cc(ccc1)S(=O)(=O)CC(=O)Cn2cncc2	5088
+c1cc(ccc1)S(=O)(=O)Cc2c(N)ccc(c2)N3CCN(CC3)Cc4ccccc4	0
+O=S(=O)(c1ccccc1)Nc2cc(cnc2)Br	322
+C1CN(CCC1C(c2ccc(cc2)F)NCCc3ccccc3)S(=O)(=O)c4ccccc4	1218
+c1ccccc1S(=O)(=O)N2CCC(CC2)Cn3ccc4nc(-c5c[nH]nc5)ccc34	747
+C1CNCCN1c2cc3cc(C(=O)OC)oc3cc2	11174
+C1CN(CCN1c2cc(C)ccc2C)C(=O)C3N(C3)S(=O)(=O)c4ccccc4	11175
+c1ccccc1S(=O)(=O)NC(c2cc(N)c(cc2)NC(C)=O)=O	0
+O=S(=O)(NCC1=CC(=O)C(=CO1)O)c2ccccc2	2306
+c1ccccc1COC2=COC(=CC2=O)CN	11176
+Cc1nnsc1C(=O)c2[nH]c3ccc(Cl)cc3c2CC(OC)=O	11177
+c1ccccc1S(=O)(=O)Nc2cccc(c2)S(=O)c3ccc(c(CNCCC)c3)N	0
+c1ccccc1S(=O)(=O)Nc2cc(ccc2)Sc3ccc(N)c(c3)CNCCC	0
+O=S(=O)(c1ccccc1)c2ccc(N)c(O)c2	0
+c1ccccc1S(=O)(=O)c2cc(O)c([N+](=O)[O-])cc2	5
+O=S(=O)(c1ccccc1)c2ccc(cc2)O	5
+c1ccccc1S(=O)(=O)c2ccc(nc2)CN	421
+c12ccc(Cl)nc1cc(C#N)[nH]2	3131
+Brc1ccnc2c1cc(C)[nH]2	1017
+CN(C)Cc1[nH]c2c(c1)cc(cn2)[N+]([O-])=O	1017
+c1ccccc1CCc2cc3c(cc2)[nH]c4ncc(Cl)cc34	5056
+c1ccccc1S(=O)(=O)n2c3cc(F)ccc3c(-c4cc5oc(CCl)nc5cc4)c2	2037
+c1ccccc1S(=O)(=O)n2c3c(cc2)cc(cc3)O	16
+O=S(=O)(c1ccccc1)n2cc(CO)c3ccccc23	269
+O=S(=O)(c1ccccc1)n2c(cc(c2)CO)Br	382
+c1ccccc1S(=O)(=O)n2c3ncc(-c4c(cn[nH]4)-c5nc(ncc5)SC)cc3cc2	747
+c1cc(ccc1)SC(CN)c2c3ccccc3ccc2OC	157
+c1cc(ccc1)Sc2ccccc2CN	162
+c1cc(ccc1)Sc2ccc(cc2N)C	0
+c1cc(ccc1)C(CCCn2cnc3c2c4c(nc3)cccc4)O	3151
+c1ccccc1[Si](c2ccccc2)(N3C(=O)CC3C=O)C(C)(C)C	24
+C1CC(CCN1C(=O)COC(=O)C)CO	701
+c1cc(ccc1)[Si](c2ccccc2)(OCCC3(CCCCC3)CC)C(C)(C)C	2836
+C1(C)(CCC(CC1CCO)OC(=O)C)C2CCC3(C)C(CCC3C2OC(C)=O)=C	5105
+c1ccccc1[Si](c2ccccc2)(Oc3ccc(cc3)-c4c(cc(cn4)Br)Cl)C(C)(C)C	119
+C1CCCC(n2c3cc(ccc3c(n2)C(=O)OCC)O)O1	11178
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)N3C(CC3=O)CO	118
+c1ccccc1[Si](c2ccccc2)(N3C(=O)CC3COCc4ccccc4)C(C)(C)C	21
+c1ccccc1[Si](c2ccccc2)(OC3CC4OC(CC4C3CCC5(OCCO5)COc6cccc(Cl)c6)O)C(C)(C)C	2697
+c1ccccc1[Si](c2ccccc2)(OCC3=CC=CN(c4c(cc(N)cc4)Cl)C3=O)C(C)(C)C	0
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3C(=O)CCCO3	86
+C(O)C1C2C(C)(CCC1C3(C)C(COC(=O)C)CC(OC(=O)C)CC3)C(=C)C(C2)OC(C)=O	5105
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC3CCC(CN3C(c4nc(ccc4-c5ncccn5)C)=O)C	147
+c1cc(ccc1)[Si](c2ccccc2)(OCCN(Cc3ccc(cc3)C=O)C)C(C)(C)C	39
+c1cccn1-c2c(cc(cc2OCC)CN3CCC(CC3)Nc4nc5c(N)cccc5o4)OCC	13
+c1ccn(c1)-c2cc(CO)cc(C(=O)OC)c2	49
+c1cccn1-c2cc(cc(N)c2)[N+]([O-])=O	0
+c1(nc2ccccn2c1CCC)CO	2068
+c1cccn2c(cnc12)CO	1125
+c1cccn1-c2cc(C(=O)O)cc(c2)C(=O)OC	1
+c1ccn(c1)-c2cc(cc(N)c2)NC(=O)C	0
+c1ccn(c1)-c2cc(CC)c(nc2C)O	104
+N1(c2ncc(cc2C(=O)Nc3cccnc13)Br)CC	4735
+c1cnc(C(=O)c2ccccc2OC)n1CC(c3ccc(c(c3)Cl)Cl)CCO	168
+C1CC2CCOC(=O)N2CC1c3ncc4c(Cl)nccn34	856
+C1CC2COCC(=O)N2CC1c3ncc4c(Cl)nccn34	856
+C1CN(C(CC1c2ncc3c(Cl)nccn23)=O)C	856
+c1nn(C)c2CCCC(c3ncc4c(Cl)nccn34)c12	856
+c1(Cl)nccn2c1cnc2	5033
+c1cnc(SCOC)n1-c2cccc(C=3CC(Nc4c(ccc(c4)-c5ccccc5F)N=3)=O)c2	1222
+Nc1cccc2c(nccc12)C#N	0
+Nc1cccc2c(nccc12)O	0
+n1c(c2ccncc2nc1Cl)Nc3ncn(C)c3	11179
+c1cnccc1-c2c(-c3ncco3)nc(N)c(N)c2	13
+c1cc(ccn1)-c2c(F)c(N)ccc2F	0
+c1cc(ccc1Cl)C=2C=CN3C(=O)NN=C3C=2c4ccncc4	11180
+C1CNCCC1c2cccc3NC(Cc23)=O	1413
+c1cnccc1-c2c3c(nc(Nc4ccc5NC(CCc5c4)=O)nc3NC6CC6)[nH]c2	392
+C1CC(CCN1)c2c(cc(c3c2CCO3)N)C	1413
+c1cnccc1-c2cc(CC#N)cc(c2)C=O	39
+c1cnccc1-c2nc3n(C(C)C)ncc3c(C(O)=O)c2	6
+C1CC(CCN1)c2ccc(cc2)C(C)C(NCC)=O	1413
+c1cnccc1-c2ccc(cc2)C(C(=O)O)CC3CCCC3	4
+c1cnccc1-c2ccccc2N	0
+c1cnccc1-c2cn(CCO)nc2-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F	168
+c1cnccc1-c2nc(Oc3c(C)cccc3)c(cn2)C(O)=O	6
+c1cnccc1-c2ncccc2OC3CCNCC3	25
+c1cc(ccn1)-c2nn3c(cccc3Cl)c2	3169
+c1cnccc1Cc2c3ccccc3[nH]c2	2188
+c1cnccc1Cc2c[nH]c3c2cc(cc3)F	2188
+c1cc(ccn1)C2(c3cc(ccc3)O)c4cccnc4C(=N)N2	11181
+c1cnccc1C=Cc2cncc(c2)C=Cc3cc(Nc4ncccc4N)ccc3	13
+O(C)c1cc(ccc1)C(c2cccc(OC)c2)(CC3CCNCC3)O	2126
+c1cnccc1CN2CCCC2c3cc(O)ccc3	5
+c1cnccc1CNC(N2CCCCC2COc3c(c(N)ccc3)C#N)=O	0
+C1CC(CCN1)Cc2c[nH]c3ccccc23	2126
+C1CC(CCN1)Cc2c3cc(F)ccc3[nH]c2	2126
+c1cc(ccn1)NC(=O)c2[nH]nc(Nc3c4occc4nc(Cl)n3)c2	187
+c1cnccc1N2CCC(CC2)CO	647
+c1cnccc1N2CCC(CC2)CO	44
+c1cc(ccn1)OCc2nc3n(c2)nc(cn3)-c4c(F)cc(F)cc4	2303
+c1cc(ccn1)OCCCN	45
+c1cnccc1SCC2=Nc3cc(nn3C(=O)C2)-c4ccco4	11182
+c1cnn(c1C(=O)c2c(Cl)c(Cl)c(c(CC=C)c2)OCC(=O)O)C	3
+c1(CC=C)cc(C(c2ccnn2C)=O)c(c(Cl)c1O)Cl	423
+c1cnn(c1C(=O)c2cc(O)c(c(Cl)c2Cl)O)C	2990
+c1csc(C(NCC(C(=O)O)NC(=O)c2ccc(C(=O)NCc3cc(O)ccc3)cc2Cl)=O)c1	4
+c1csc(c1Cl)C(NC(Cc2ccc(CCCc3ccc4c(n3)NCCC4)cn2)C(=O)O)=O	4
+Oc1c(cccc1)CC(=O)c2cn(CCCCC)c3ccccc23	5
+c1n(CCCn2ccc3ccccc23)ncc1N	5091
+OP(O)(=O)COCC(CO)On1cnc2c(N)ncnc12	228
+c1n(c2ncccc2n1)-c3ccc4c(C(=O)CC4C(=O)O)c3	3
+c1n(nc(I)c1CO)C2CCCCO2	11183
+Ic1c(cn(n1)C2CCCCO2)C=O	576
+c1n2c(nc1)ccc(CO)n2	398
+c1nc(c2n1-c3ccc(cc3C(N4C2CC4)=O)F)C#N	1751
+c1nc(C(=O)O)c2n1-c3ccc(cc3C(N4C2CC4)=O)F	6
+c1cc(C)ncc1CO	295
+c1cc(C)ncc1COC	382
+OCc1cnc(Cl)cn1	88
+c1nc(Cl)nn1-c2ccc(N)cc2OC	0
+c1(nccc(O)c1C)CSc2nc3ccccc3[nH]2	5
+c1c(I)cc(c(NCc2cc(c(OCc3ccc(nc3)OC)cc2)OC)n1)N	13
+c1c(I)cc(c(NCc2ccc(OCc3ccc(nc3)OC)c(c2)OCC)n1)N	13
+Nc1c(Cl)ncc(c1)[N+](=O)[O-]	13
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)C#N	1751
+c1nc(c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C)C#N	1751
+c1nc(c2N=NN(CC(=O)O)C(=O)n12)C(=O)N	3
+c1nc(C(=O)O)c2n1-c3c(c(ccc3)CCN4CCN(c5c6c(cc(c5)F)nc(C)cc6)CC4C)OC2	6
+c1n2ncc(Br)c2cc(c1)C(=O)N(CC)c3ncc(C#N)cc3	11184
+n1(-c2ncccc2Cl)ncc3c(ncnc13)OC(CCOC)C(=O)Nc4ccc(cn4)C	11185
+c1nc(ccc1C)NC(=O)C(CCOC)O	948
+n1cccnc1-c2cccc(c2)CCN	51
+c1nc(ncc1)C(O)CCl	11186
+n1cccnc1C(F)(F)CO	44
+c1nc(ncc1)COc2cc3c(n(nc3C(C)=O)CC(OC)=O)cc2	2818
+c1c(Cl)c(c(cc1)Cl)C(=O)c2n3cccnc3cn2	11187
+c1nc(ncc1)N(C)c2ccc(cc2)C=CCC(C(=O)O)NC(c3c(Cl)cccc3Cl)=O	4
+C1CN(CCN1C(=O)Cn2c(-c3ccccc3)nc(c2)Br)c4ncccn4	11188
+C1CC(CCC1Nc2ncccn2)CCO	44
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(ccc4c(S(C)=O)c3)C(O)=O	1
+c1nc(ncc1-c2ccc(OCCCCCCCC)nc2)-c3ccc(c(c3F)F)O	16
+c1cc(ccc1-c2cnc(nc2)N)C3(CCC(CC3)=O)c4cc(OC5CCCC5)c(OC)cc4	1678
+C1CC(CCN1C(OC(C)C)=O)OCc2nc(-c3cnc(nc3)O)no2	11189
+n1cc(cnc1NCCN2CCOCC2)C#Cc3cc(cnc3)N	1472
+c1cc(ccc1Oc2ncc(cn2)Br)O	5
+c1nc(ncc1C(=O)NCc2cc(C)cc(c2)C(O)=O)N3CC(Oc4ccccc4OCC)CCC3	1
+c1nc(ncc1C(=O)O)N2Cc3[nH]c4ccccc4c3CC2	1
+c1cc(ccc1Nc2ncc(cn2)CO)Cl	897
+n1cc(cnc1Nc2ccccc2)CO	897
+n1cc(cnc1C)C(CC=O)CC(OCC)=O	24
+c1nc(ncc1C(=O)O)N2CCCC(Oc3ccccc3OCC)C2	6
+c1nc(ncc1COC)N2CCC(CC2)C3C(CCOc4cc(F)c(c(F)c4)CC(=O)O)C3	4
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCNc4ccc(cn4)-n5nnnc5)C3	182
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCNc4ccc(-n5ccnn5)cn4)C3	182
+c1nc(ncc1Cl)N2CCC(CC2)C3C(C3)CCN	18
+n1cc(cnc1C(Nc2nc(c(Cl)cn2)Nc3cc(n[nH]3)OC)C)F	96
+C1CC(CCN1)CNc2ncc(cn2)F	62
+n1cc(cnc1NC(=O)CCCCC)O	3167
+n1cc(cnc1-c2ccc(cc2)CCCCCOCCC)O	11190
+c1nc(ncc1O)NC	11191
+c1nc(ncc1N)Oc2ccc(c3c2C4(CC4)CO3)C	193
+c1nc(nn1-c2ccc(cc2F)C#N)C(=O)O	1
+c1nc2Nc3cc(CO)ccc3Sc2nc1	98
+c1n(c2C(N(C(=O)N(c2n1)C)C)=O)C(C(O)=O)C	4
+Nc1c(cc(C#N)cc1)S	11192
+c1nc2c(nc(N3CC(C(=O)O)CCC3)nc2s1)Nc4ccc(OC)c(c4)OC	4
+n1c(C)cc(nc1SCc2c(c(SCCCSc3nn4c([N+](=O)[O-])cnc4cc3)ccn2)C)C	4992
+Nc1cncc(c1N)-c2cncc(c2)F	13
+c1ncc(nc1C)C(NC23CC(CCC2)(C(=O)O)CC3)=O	3
+c1(CO)c(C)onc1-c2ccncn2	1043
+c1ncn(c1)CCCCCCCN	51
+c1ncncc1-c2ccnc(Nc3c(C)ccc(c3)N)n2	0
+n1cc(cnc1)CCC(OC)=O	11193
+n1ncn(c1)-c2c(CN)cccc2	107
+c1cc(C)c(Nc2nc(cs2)CO)cc1	1171
+n1(-c2cc(c(N)cc2)C(=O)N)ccnc1	11194
+c1(c(N)ccc(-n2ccnc2)c1)C	0
+n1(-c2cccc(N)c2)ccnc1	0
+c1cnn(c1C(=O)c2cc(c(OC)c(Cl)c2Cl)OC)C	2229
+n1c(ccnc1Cl)Nc2ccc3n(C)c(nc3c2)N	73
+n1(C)c(nc2c1ccc(N)c2)N	0
+c1cccc(C(=O)Nc2cn[nH]c2C(NCCCC(OCC)=O)=O)n1	747
+n1(C=C)cc(C=O)cn1	576
+n1(C=C)cc(C(=O)O)cn1	6
+n1(C=C)cc(CO)cn1	536
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+c12c(c3n(ncc3c(O)n1)C4COCC4)ccc(-c5c(C)cnc(OC)c5C)c2	11195
+C(NC)c1n(c2c(ccs2)c1)C	729
+n1(ccnc1)-c2cc(N)c(N)c(C)c2	0
+n1(ccnc1)-c2cc([N+]([O-])=O)c(N)c(C)c2	106
+n1(nc(-c2ncccc2)cc1)-c3ccc(N)cc3F	0
+OP(O)(c1ccc2c(n(nc2C(N)=O)CC(=O)N3CC(CC3C(NCc4c(F)c(ccc4)Cl)=O)F)c1)=O	228
+n1(nc(cc1[N+]([O-])=O)C(=O)O)C2CCCCO2	1
+n1(ncc2c(O)c(cnc12)C(=O)O)CC	6
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+C(=O)(c1cnc(-n2nnnc2)cc1)O	1
+O=Cc1c2n(c(Br)n1)cccc2	5090
+n12c(C)nnc1c(NCc3c(C)cccc3CC)cc(C(=O)O)c2	1
+c1n2c(cc(CO)c1)ccn2	4557
+OCc1sc2n(c1)cnc2	59
+n12cc(N)cc(C)c1nnc2C	13
+n12nnnc1c(N)c(NCCCO)c(c2C)C	4997
+Nc1nnc2ccccc2n1	11196
+c1cccc2n[nH]c(CO)c12	11197
+n1c(-c2cc(C)c(F)cc2)c(ccc1)-c3cc(c4n[nH]cc4c3)C(=O)O	1
+O=Cc1nc(Br)c(cc1)O	178
+n1c(Br)ccc(c1)C2N(N=C(C2)C(=O)O)c3c(Cl)cccc3	4
+n1c(Br)sc2cc(ccc12)CO	217
+C(c1cc(Cl)c(nc1-c2cc(F)ccc2)CN)(=O)OC	421
+c1c(c(-c2scc(CO)n2)ccc1C)[N+]([O-])=O	1171
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+n1c(C)cc(C(=O)O)n1CCOC	6
+c1cc2sc(nc2cc1CO)C	98
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+c1ncncc1-c2cc(nc3CCCCc23)OCc4nc(F)ccc4	91
+n1c(COC(CCCCC)=O)nc(cc1)O	104
+O(Cc1nc(ccc1)CNc2nc(nc(Cl)c2NC=O)N)C3COCC3	40
+Nc1c(ncnc1Cl)Nc2ccnc(Cl)c2	193
+n1c(Cl)c2c(nc1Nc3cc(ccc3N)F)N(C4CCOc5c(F)cccc45)C(=O)N2	0
+n1cnn(-c2cc(Cl)ncn2)c1N	5106
+n1n(-c2cc(Cl)ncn2)cnc1	5106
+c1nc(Cl)cnc1COC	2068
+c1c2c(nc(n1)Cl)cccc2	511
+n1c(F)cc2cc(C(=O)O)ccc2c1	1
+Nc1nc(nc(N)c1N)-n2nc(c3ccccc23)Sc4ccccc4F	193
+n1c(NC(CC)C)cc(cc1-c2ccccc2F)C(=O)O	1
+C1(=O)CCC(=O)N1c2sc(cn2)C#N	11198
+n1c(NC(CCC(=O)O)=O)sc(c1)C#N	4
+n1c(NC)nc(Oc2cc(N)c(cc2)O)cc1	0
+c1c(N)cc(cc1)NC(NCCCNc2nc(Cl)ncc2Br)=O	0
+c1(ncccc1)N2C(=O)C=CC=C2	11199
+COc1nc(nc(OC)c1)Oc2c(nc(N3CCCC3)cc2)C(O)=O	1
+n1c(OC)ccc(C(O)C(C)N)c1	157
+n1c(OC)ccc(CO)c1	295
+Oc1ncc(C=2C(=O)N(C(=NC=2c3cc(F)ccc3)N)C)cc1	104
+n1c(c(Cl)cc(Cl)c1F)OCC(=O)O	3
+c1(nc(SC)ncc1C(=O)O)Oc2c(cccc2)C	6
+n1c(SC)nc2c(c(c(CC)n2Cc3cc(Cl)ccc3)C(=O)C(N)=O)c1OCC(=O)O	4
+n1c(SC)nccc1-c2c(nc3n[nH]cc3c2)-c4occc4	11200
+n1c(c(CC)c(n1C)-c2csc(C(=O)O)c2)Cl	1
+n1c(C(=O)O)c(NC(=O)c2ccccn2)cn1C3CCCCO3	1
+n1c(c(c(s1)N)C(=O)N)-c2cc(ccc2)N	0
+c12cnc(cc1c3c([nH]2)ncc(c3)Br)OC	4863
+Nc1nc(c(cc1N)-c2c(cncc2)Cl)-c3c(cccc3)F	13
+n1c(c(ccc1)OC)-c2cc(-n3nnnc3)cc(C(=O)O)c2	1
+n1c(c(N)ccc1F)C(=O)N	13
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+n1c2c(c(Cl)cc1-c3ccccc3O)cccc2	5
+c1(C=O)cc2c(O)nc(nc2cc1)CCCC	39
+[N+]([O-])(=O)c1cc2NC(C(Nc2c3c1nnn3C)=O)=O	11202
+C1Cc2ccc(C)cc2NC1	1352
+n1c2c(ccc(N)c2)n(CC)c1Cn3ccnc3-c4cc(ccc4F)F	106
+Nc1cc2ncccc2cc1	0
+C(c1ccc2ncccc2c1)N	107
+n1c2c(ccc1)cc(C#N)cc2	274
+n1c2c(cccc2)c([nH]1)C=Cc3ccccc3N	0
+n1c2c(cccc2)c([nH]1)C=Cc3c(cccc3)Nc4scc(n4)C(=O)O	6
+C1CN(CCC1c2ncccn2)CCCCn3cnc4c3cccc4	53
+n1c2c(n(CCCC=O)c1)c3c(cccc3)nc2	24
+n1c2cc(cc(N)c2cn1C3CCCCO3)-c4c5cc[nH]c5ccc4	0
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+c1cc2n(c(nc2cc1CO)C)CC	98
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+n1c2ccc(cn2c(-c3nccc(O)n3)c1)F	104
+Nc1ccc(Cl)c(-c2nc3cccnc3cc2)c1	0
+c1cccc2n[nH]c(CO)c12	398
+C(c1cc(c(-c2[nH]nc3cccnc23)cc1)F)(=O)O	1
+n1c2n(c(c1-c3cc(N)c(C)cc3)Br)nc(OC)cc2	0
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+C(c1cc(OC)c(C)cc1)Nc2cc(-c3cc(ccc3)O)cnc2	162
+n1cc(-c2cccc(N)c2)nc3ccccc13	0
+Nc1cc(C)c(cc1)-c2cnco2	0
+n1cc(-c2c(cccc2)O)c[nH]1	5
+n1cc(cc(C#N)c1)O	390
+CC(C)c1ccc(F)nc1	1747
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+O=Cc1ccc2ncc(Cl)n2c1	200
+CC(C)c1cncc(N)c1	1747
+O(c1c(c(nnc1)Cl)O)C	390
+O(c1cccnc1)c2cc(OCCOC)c(nc2)N	161
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+n1cc(cnc1-c2cccc(CO)c2)OCCCN(C)C	98
+c1nc(ncc1OCC)-c2ccc(cc2)CCCCCO	374
+n1cc(cnc1-n2c3c(cc(cc3cc2)N)C4CC4)C	0
+n1cc(cnc1C)C(CCCC(CCc2ccc3CCCNc3n2)=O)CC(OCC)=O	1678
+n1cc(cnc1COC)-c2ccc(cc2)S(=O)(=O)Nc3cc(F)c(cc3F)C(O)=O	1
+n1cc(cnc1OCCOc2nc(nc(NS(=O)(=O)CC)c2Oc3ccccc3OC)-c4ncccn4)Br	482
+n1cc(cnc1N2CC(CCC2)Cn3nnc4ncc(nc34)-c5cn(C)nc5)Br	117
+c1nc(ncc1CCC)N2CCC(CC2)Oc3ccnc(O)c3	624
+n1cc(cnc1N2CCC(CC2)Oc3cc(ccc3Cl)Br)-c4nnn(CC(O)=O)n4	3
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+n1cc(cnc1Nc2cnccc2)N	193
+c1nc(ncc1N)Oc2c3C4(CC4)CCOc3ccc2	193
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+n1ccc(C(=O)C)c2cc(C#N)ccc12	155
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+n1ccc(NC(C)c2ncc(cc2)F)nc1Nc3cccnc3O	104
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+n1ccc(Oc2cnc(cc2)N)cc1NC(C)=O	161
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+n1ccc2n1c(c(CCO)c(n2)Cl)Cl	237
+Nc1c(Cl)nn(-c2cccnc2)c1	209
+n1c(c(ccc1)CO)-c2ccc(cc2F)F	295
+O(c1c(cccn1)CO)C	295
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+C(=O)(C(C)Cc1cc2cc(ccc2[nH]1)OCCCNc3ncccc3)O	4
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+n1cccnc1-c2ccc(cc2)C#CC=O	2628
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+C1NC(NCC1)=NCCCOc2ccc3c(c2)Cc4c(C(C3)CC(OCC)=O)cccc4	11207
+c1nc(ncc1)NCCN2CCC(N)C(O)C2	273
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+n1ncn2CCNCc12	4057
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+n1c(N)cc(n1C)COC	161
+n1n(C)cc(N)c1C(=O)N	209
+n1c(N)ccn1CCC	161
+c1(C=O)cc2c(cc1)n(nn2)CCCC	39
+n1cc(N)cn1CCNc2ccc(cn2)F	209
+n1n(Cc2ncccc2)c3ccc(N)cc3c1	0
+n1c(N)cnn1Cc2occ(n2)COC	1901
+c1(c2c(c(nn2C)CCC)nc(n1)-c3ccccc3OCC=C)O	5107
+c1(c2c(c(nn2C)CCC)nc(n1)-c3ccccc3OCCC)O	5107
+n1n(c2c(c1I)cc(N)cn2)C	13
+n1n(CCNc2ccc(cn2)F)cc([N+]([O-])=O)c1	15
+n1cc(N)cn1CC(NC(C)CO)=O	209
+c1n(-c2ccc(c(C)c2)C)nc(N)c1	161
+n1n2CCCC(c2c(N)c1C(=O)N)=O	209
+n1n2CCOCc2cc1CO	194
+n1n2CCOCc2cc1C=O	178
+n1c(N)cc2n1CCOC2	161
+n1n2c(c(Br)ccc2)nc1N	982
+n1n2c(c(O)ccc2)nc1N	982
+n1n2c(cc(Cl)cc2)nc1N	982
+n1n2c(sc1C)nc(CC(=O)O)c2	3
+n1nc(C2CCCO2)nc(c1C(CC)N)O	524
+c1(ccccc1Oc2cnnc(O)c2)C(C)=O	3149
+n1nncn1-c2cc(cc(-c3ccccc3OC)c2)C(=O)O	1
+n1nncn1-c2ccc3c(CCCC3C(=O)O)c2	4
+c1(cc(ccc1)-c2c(c(sn2)C(O)=O)C(O)=O)C	1
+c1c2nsnc2ccc1O	5
+o1c(-c2cc(CO)ccc2)ccc1Br	59
+o1c(Br)cc(c1C)C=O	5108
+o1c(Br)cc(CO)c1C	4414
+o1c2cccc(c2c(c1CC)C)O	2361
+o1c(C(=O)O)cc(-c2ccnn2C)c1C	1
+o1c(cc(c1C)C=O)C(=O)OC	5108
+o1c(cc2c1cc(cc2O)C(=O)OCC)CC	173
+o1c(nc(c1CC)C(O)=O)N2CC(C(CC2)NC(c3[nH]c(c(CC)n3)Cl)=O)OCCC	5095
+o1c(c(c2c1ccc(Br)c2OC)C)CO	2184
+o1c2cc(c(F)cc2c3cc(C#N)ccc13)O	5
+C(CO)c1c2ccc(cc2oc1)O	95
+o1c2cccc(CCCOC)c2c(C)c1C(=O)OCC	213
+o1c2cccc(CCCOC)c2c(c1C(=O)O)C	6
+c1c(CCCOC)c2c(c(oc2cc1)CO)C	2184
+o1c2cccc(OC)c2c(c1C(=O)O)C	6
+o1c2c(c(c1CC)C)c(O)c(cc2)CC=C	423
+O=Cc1oc2cccc(c2c1)Br	2180
+c1(CO)occ(C(=O)OC)n1	59
+C(CCC=CCCC(=O)c1occc1)(OC)=O	2444
+o1nc(c(C(=O)O)c1N)-c2cc(F)ccc2	1
+C(CCc1nc(on1)C=Cc2ccc(OC)c(c2)O)CCCCC	5
+o1nc(cc1-c2cc(CCC(O)C)ccc2)C(=O)OC	100
+c1cc([N+]([O-])=O)cc2Oc3sc(cc3C(=O)Nc12)C	11208
+s1c(nc2-c3c(ccc(N)c3)CCc12)Cc4nc[nH]c4	0
+s1c2c(nccc2Oc3ccc(N)cc3F)cc1-c4cc(ccc4)OCCCCl	0
+s1c2c(nccc2Oc3ccc(N)cc3F)cc1-c4ccc(CCN5CCCC5=O)cn4	0
+s1c2c(nccc2Oc3ccc(N)cc3F)cc1-c4ccc(CN5CCOCC5=O)cn4	0
+s1c2c(nccc2Oc3ccc(N)cc3F)cc1-c4cn(cn4)CCC	0
+C(O)CCc1ncsc1	237
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/assignments.jsonl b/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/assignments.jsonl
new file mode 100644
index 0000000000000000000000000000000000000000..e880e5d5e664b19cd8934fccf874e63083b988b6
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/assignments.jsonl
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:aad4c1ba6c71994392d0709e12b0cb85d9b7700eaa0bcd3a51334468955d4731
+size 26193490
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/preparation.json b/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/preparation.json
new file mode 100644
index 0000000000000000000000000000000000000000..5c9b33b42475f3c29f226f53dcc7d4149923aa09
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/preparation.json
@@ -0,0 +1,38 @@
+{
+  "implementation": {
+    "identity.py": "373e417ec6647a82879f9377845a5fd555cfba89eeaa89fbab1dc096139f5b2a",
+    "splitting.py": "8b6fd9b1ef8ccd00effec63257f9f2155a7355d47a9f79dc8b0b0b430b5e219d"
+  },
+  "inputs": [
+    {
+      "path": "/Users/almazgil/Developer/projects/retrocomposite/data/releases/n1-n5-composites-inchi-v1/single_step/preparation.json",
+      "sha256": "4a86c1e61ab7bf421acba34847442b0c5ef2bb3136bcdf288ae91d879ead559d"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/retrocomposite/data/releases/n1-n5-composites-inchi-v1/single_step/single_step.tsv",
+      "sha256": "479d34a98d8e670f889f6ee29405a802d432a97bd1a4280d0b9bdd98642d3ac5"
+    },
+    {
+      "path": "/Users/almazgil/Developer/projects/retrocomposite/data/releases/n1-n5-composites-inchi-v1/single_step/single_step_policy_data.tsv",
+      "sha256": "24fe9bb31584e10c66f490788c42d43244d5284c4b6434e368b7fc9f5c99a805"
+    }
+  ],
+  "kind": "grouped-split",
+  "outputs": {
+    "assets/single_step.manifest.json": "4c3d152ee67763ef3219bd9a6fecd1b2fc313810d6a46eb70823b6decb93d572",
+    "assets/single_step.tsv": "479d34a98d8e670f889f6ee29405a802d432a97bd1a4280d0b9bdd98642d3ac5",
+    "assets/single_step_policy_data.tsv": "24fe9bb31584e10c66f490788c42d43244d5284c4b6434e368b7fc9f5c99a805",
+    "assignments.jsonl": "aad4c1ba6c71994392d0709e12b0cb85d9b7700eaa0bcd3a51334468955d4731",
+    "split.json": "56bfa358f89855ace8b3da7aa6b2a68a7a968f7f8402de0ee01b94dad1f006e1",
+    "train.tsv": "d64e05ad453ad9151a2ce386c2b59104ac64b877b04b73460a0eb8c2a3d273e8",
+    "validation.tsv": "dcc41969aa55e1fa6798594dadab4927bb305c1c557f83c9dc09caac64c6abe1"
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diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/split.json b/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/split.json
new file mode 100644
index 0000000000000000000000000000000000000000..96014e9ec94620547ca1e1432d31813a60c14d3d
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/split.json
@@ -0,0 +1,22462 @@
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+  ],
+  "schema": "retrocomposite-grouped-split/2",
+  "seed": 42,
+  "source_assets": "/Users/almazgil/Developer/projects/retrocomposite/data/releases/n1-n5-composites-inchi-v1/single_step",
+  "source_manifest_sha256": "4a86c1e61ab7bf421acba34847442b0c5ef2bb3136bcdf288ae91d879ead559d",
+  "status": "ready",
+  "train_rows": 51642,
+  "validation_rows": 5739
+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/train.tsv b/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/train.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..f9c35dea1ceead0d9fc149534d8e21f408713c40
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/train.tsv
@@ -0,0 +1,51643 @@
+product_smiles	rule_id
+O=S(=O)(Nc1ccc2COB(c2c1)O)c3ccc(cc3CC(=O)OCC)OC	69
+C1CC1c2cc(C#N)c(nc2Oc3cc4c(cc3)B(O)OC4)OCCCC(=O)C	136
+C(C(=O)CBr)c1c(F)cccc1Cl	3173
+C(CCC(=O)CBr)(OC)=O	3173
+C(CCC)CNC(NCCCCCBr)=O	1064
+C(CCN1C(=O)N(c2ncn(c2C1=O)C)C)CCCCCCCC(OC(=O)C)CBr	5109
+c1ccc(cc1CCO)CCBr	1064
+c1(ccc2ncccc2c1CBr)[N+]([O-])=O	540
+C(c1cc(OC)ccc1Br)Br	540
+C(c1ccc(OCC)cc1C)Br	540
+C(CCCCN1C(=O)N(C)C=C(C1=O)C)(OC(C)=O)CBr	2307
+c1cc(ccc1C(C(CC2CCCCC2)Br)=O)OC	1784
+C1CCC(C1)c2c(ccc(c2)Br)O	428
+C1CCCCC1c2c(ccc(c2)Br)O	428
+C1CN(CCC1)CCCCCCCCCC(CBr)OC(=O)C	2307
+C1COCCC1N(C)c2ccc(Br)cn2	1455
+O=S1(=O)CCC(CC1)CCBr	2308
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc3c(cc2Br)OCC4=NNC(=O)C(C)N34	428
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)C(=O)C(Br)c3ccccc3	2309
+CC(C)(C)OC(=O)N1CCc2ccc(c(c2CC1)CBr)Cl	5110
+CC(C)(C)OC(Nc1ccc(Br)c(C)c1C(O)=O)=O	428
+CC(C)(C)c1cc(Br)ccc1N	428
+CC(C)(C)c1cc(C(=O)CBr)cc2NC(=O)COc12	380
+CC(C)(C)c1cc(OCCOC)cc(C(CBr)=O)c1	380
+CC(C)(C)c1cc2ccc3c4c(ccc(c24)c1)c(Br)cc3	428
+CC(C)(C)c1cc(Br)ccc1O	428
+CC(C)C(C(N1C(C(=O)OCC(=O)c2cc3c(-c4cc5c(cc4OC3)C(C(Br)CC5)=O)cc2)CCC1C)=O)NC(=O)OC	1784
+CC(C)CC(C(O)=O)Br	3175
+c1cc(ccc1)C(=O)C(Br)C=2C=CC(=O)N(C(C)C)N=2	5111
+CC(C)N1c2c(cc(c(c2)C)Br)CCC1	428
+CC(C)N1C(c2cc(ccc2C(=N1)Br)CBr)=O	540
+CC(C)Oc1cc(c(cc1)CBr)C	540
+CC(C)c1cc(Br)ccc1O	428
+c1cc(ccc1)CC(C(=O)OCC)CCBr	3174
+c1cc(cc(OC(C)=O)c1OC)C(CBr)=O	5112
+c1(C)cc(cc(C)c1C(=O)CBr)Oc2ccc3OCOc3c2	380
+Clc1cc(C#N)cc(Oc2c(c(OC)ncc2CO)Br)c1	1455
+c1(cc(cc(Cl)c1C)Br)Cl	369
+Clc1ccc2c(nccc2NCCOCCBr)c1	1064
+Clc1cnc(C(CBr)=O)c(Cl)c1	380
+FC(F)(F)C(=O)N1CC(C1)Cc2cc(ccc2OC)Br	428
+FC(F)(F)C(Nc1ccc(cc1)C#CCCCBr)=O	5113
+FC(F)(F)CCNC(c1ccc(cc1)C(=O)CBr)=O	380
+FC(F)(F)c1c2C(=O)C(CCc2[nH]n1)Br	1784
+FC(F)(F)c1ccc(cc1)Oc2cc(C)c(c(c2)C)C(CBr)=O	380
+FC(F)(F)c1cccc(c1F)C(CBr)=O	380
+FC(F)(F)c1cc(NCCBr)c2c(n1)cccc2	1064
+FC(F)Oc1n(nc(c1Cl)-n2c(c(cn2)C#N)Br)C	5114
+c1(ccc(Br)c(C)c1F)C(=O)O	369
+c1(c2cc(C)n(C(=O)OC)c2ccc1Cl)Br	5115
+c1c(cc(C)c(c1)[N+]([O-])=O)Br	369
+n1c(c(C)cc(Br)c1)CCCCN	1455
+c1c(cc(c(c1)CC)[N+]([O-])=O)Br	369
+c1(cc2cccnc2c(c1)Br)OC	5116
+c1c(Br)cc2CC(CCCc2c1)=O	369
+c1(c(cccc1Br)C(=O)O)Cl	369
+c1(ncc(cc1[N+]([O-])=O)Br)Br	2310
+Brc1ncc(C)cc1[N+](=O)[O-]	2310
+c1c(Br)cc2c(c1)N(CCC2)CCCCC(OCC)=O	428
+CCc1cc(c(OCC)cc1O)Br	428
+O(c1cc(Cl)c(C(=O)CBr)nc1)C	380
+C(CCCN1C(=O)N(c2ncn(C)c2C1=O)C)(OC(C)=O)CBr	2307
+c1ccc2C(=O)N(C(=O)c2c1)C(CF)(C(OC)=O)CC(=O)CBr	3176
+O=S(=O)(N)c1c(c(SC)cc(CBr)c1)Cc2ccccc2	540
+C(Br)C(OC)CSCCCCCCCCCCCCCCCC	2308
+c1(csc(Br)n1)-c2cccc(c2F)F	2311
+c1(C)cc(Br)cnc1CCCN	1455
+Cc1cc(cc(C)c1C(CBr)=O)Cl	380
+c1c(C)c(c(cc1OC)C)C(CBr)=O	380
+c1c(cc2c(c1)nc(N)nc2)Br	369
+c1c(cc([N+]([O-])=O)cc1Br)C(=O)O	369
+Cc1cc(cc(C)c1)C(c2cc(C)cc(C)c2)Br	2312
+c1c(Cl)c(ccc1)C(c2ccccc2Cl)Br	2312
+c1(csc(Br)n1)-c2ccc(cc2F)Br	2311
+Cc1c(cccc1)C(c2c(C)cccc2)Br	2312
+c1cc(ccc1)C(C(=O)c2ccc3c(NC(=O)CO3)c2)Br	2309
+c1cc(ccc1)COC(CCC(C(O)=O)Br)=O	3175
+c1ccccc1Cc2cc(ccc2O)Br	428
+c1cc(ccc1)Oc2cc(C)c(c(c2)C)C(CBr)=O	380
+c1cc(ccc1)Sc2ccc(nc2)Br	2310
+c1c(OC)c(Br)cc(-c2ccc(cc2C)C(=O)OC)c1	428
+c1cc(ccc1N(C)C)-c2nc(OC)ccc2Br	1455
+c1cc(ccc1Cl)-c2ccc(Br)c(I)c2	369
+c1cc(ccc1-c2oc3c(cc(c(N(S(=O)(=O)C)c4cc(Cl)c(Br)cc4)c3)C5CC5)c2C(NC)=O)F	369
+c1cc(ccc1-c2oc3cc(N(S(=O)(=O)C)c4cc(F)c(c(F)c4)Br)c(C5CC5)cc3c2C(NC)=O)F	369
+c1cc(ccc1OC)C(=O)C(Br)C	1784
+c1cc(ccc1-c2nc(sc2)Br)Br	2311
+c1cc(ccc1C(C(c2ccc(cc2)C)=O)Br)SC	2309
+c1cc(ccc1I)CC(=O)CBr	3176
+c1cc(ccc1CCCBr)[N+]([O-])=O	1064
+c1cc(ccc1Br)CCc2ccccc2CBr	540
+c1cc(ccc1CNc2cc(cc(c2)CBr)F)OC	540
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(N(S(=O)(=O)C)c4cc(Cl)c(Br)cc4)cc3o2)C5CC5	369
+c1cc(ccc1OCCCCCCCCCCCCCC)C(Nc2cccc(c2)CBr)=O	540
+c1cc(ccc1C#N)OCCN(S(=O)(=O)C)CCBr	2308
+c1c(C)c(c(cc1Oc2ccc(cc2)F)C)C(CBr)=O	380
+c1cc(ccc1[N+]([O-])=O)-c2cc(c(C(=O)CBr)cc2)C	380
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CBr	540
+c1ccccc1CCCCCBr	1064
+c1ccccc1COc2cc(ccc2[N+]([O-])=O)CBr	540
+c1ccccc1COc2ccc(c3SC(=O)Nc23)C(CBr)=O	380
+n1c2cc(ccc2ccc1)CBr	540
+O=S(=O)(c1sc2c(cc(cc2)CBr)c1)N	5117
+BrC1(Br)C(=O)Nc2c1cc(Br)cn2	301
+BrCC(=O)C(c1c(cccc1)C)=O	5118
+C(C(=O)c1c(-c2ccc3c(ccc(c3Br)O)c2)oc4ccccc14)CCC	63
+C(C(O)C)Cc1nc(N)c2c(n(c(Br)n2)C)n1	1065
+c1cccc(C)c1C(=O)C(C(OCC)=O)Br	5119
+C(C(OC)=O)C(=O)C(CC)Br	1785
+c1(C(=O)OCC)c(Cl)c(ccc1OC)Br	63
+CCOC(=O)c1c2CCC(C(c2c(SC)s1)=O)Br	504
+c1c2c(cc(Br)c1NC(C)=O)C(CCC(=O)O)CC2	63
+c12c(ccc(c1cccc2)C(C(Br)CCCC(=O)OCC)=O)F	504
+Nc1ncc(Br)nc1C(=O)OC	1786
+C(Oc1ccc(C(CBr)=O)c(C)c1)CCCl	288
+Cc1nc(sc1Br)-c2ccc(C(=O)O)cc2C	1066
+c1c(Br)c(cc(OC)c1F)CC(=O)O	63
+C(c1cc(c(cc1)O)C(CBr)=O)(=O)O	288
+C(c1cc2ccc(cc2cc1)OC)Br	1787
+C(c1cccc(c1)Cn2c3nc(nc(N)c3nc2Br)NCCCC)P(OCC)(=O)C	1065
+O=C1NC(NC(=O)C1(Br)CCCCCCCCCC)=O	5120
+c12C(=O)C(Nc1c(C)cc(c2)Br)=O	63
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3C(NC(=O)CC(=O)CBr)C(=O)N23)=O	3177
+N1(C=C(c2cc(OC)c(cc2C1=O)OC)Br)CC	2313
+C1CC(CCC1)(C(c2c(c(C)cc(c2)C)OC)=O)Br	1788
+C1CCCCC1CC(C(=O)c2c(cc(cc2)OC)OC)Br	504
+C1CCCCC1CCC(Br)C(=O)c2cc(OC)c(cc2OC)Cl	504
+C1CC(CCC1C(OC)=O)c2ccc(cc2)Br	63
+C1CN(CCC1C(CBr)=O)C(C)=O	400
+COc1c2c(C(C(C2)Br)=O)ccc1C	504
+C1CC12C(Nc3c(F)cc(cc23)Br)=O	63
+C1CC1CN2C=C(c3c(cnc(SC)n3)C2=O)Br	5121
+C1CC1c2c(cc(c(O)c2)C(OC)=O)Br	63
+C1CC1c2cnc(N)c(Br)c2	301
+C1CC1n2ncc(c2)Br	635
+C1CCC(C1)c2cc(-c3c4ccccc4c(Br)c5c3c(C)c(C)s5)ccc2OC(C)=O	5122
+C1CCC1(c2ccc3ccccc3c2)C(CBr)=O	400
+C1C(CC1)N2CCC(=O)C(CC2)Br	1785
+C1CCCC1(c2cc(c(Cl)cc2)Cl)C(=O)CBr	400
+C1CCCCC12C(Nc3ccc(Br)cc23)=O	63
+C1CCCCC1C(=O)CBr	400
+C1CC(CCC1)C(CCBr)C(=O)NCc2c(cc(cc2Cl)OC)Cl	1224
+c12cc3c(CC(C)C3=O)c(Br)c1CCC2	63
+C1CN(CCC1)c2c(Br)cnc(c2)C	301
+C1CN(CCC1C(=O)OC)c2c3ccncc3c(c(-c4cc(Cl)ncc4)n2)Br	5123
+O=S(=O)(c1c(C(N)=O)[nH]c2c1ccc(Br)c2N)N3CCOCC3	1067
+C1COCCN1c2ccc3c(Br)c(ccc3n2)N	1067
+c1(F)c(Br)cc2C3(N=C(N)SCC3COc2c1)C	63
+CCC(N(C1Cc2ccc(Br)cc2C1)CCC)=O	63
+CC(=O)Nc1cc(F)c(cc1)C(CBr)=O	288
+CC(C)(C(CBr)=O)CCl	400
+CC(C)(C)C(=O)Oc1cccc(CBr)c1	1787
+CC(C)(C)C(Nc1c(cc(cc1)Br)-c2ncccn2)=O	63
+CC(C)(C)Nc1ccc(cc1Br)[N+](=O)[O-]	63
+CC(C)(C)OC(N1CCC(CC1)n2c(nc3c2ncnc3N)Sc4c(cc5OCOc5c4)Br)=O	63
+CC(C)(C)OC(=O)N1CCCN(c2ccc3c(n2)OC(=O)C(=C3)C(CBr)=O)CC1	3178
+CC(C)(C)OC(C1=C(c2ccc(c(C)c2)C)c3c(cc(Br)cc3)C(=O)N1C)C(=O)OC	63
+CC(C)(C)OC(=O)N1C(C)CCC(C1)C(=O)CBr	400
+CC(C)(C)OC(N1CCN(CC1)c2ccc(Br)c(-c3cc(ncc3)Cl)n2)=O	301
+CC(C)(C)c1cc2C(C(CC(C)C)Cc2c(Br)c1OC)=O	63
+CC(C)(C)c1c(c(Br)c2CC(C(=O)c2c1)C)OCC(C)C	63
+CC(C)(C)c1cc(Br)c(O)cc1	63
+CC(C)(C)c1ccc(Br)c(c1)C(C)(C)C	63
+CC(C)(C)c1nn(-c2c(cccc2)C)c(N)c1Br	635
+c1cc(ccc1OC(Br)C(C(C)(C)CCl)=O)-c2ccc(cc2)Cl	2314
+CC(C)(C(CBr)=O)CF	400
+CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br	2314
+CN(C)C1CCc2c(c(Br)ccc2NC(C(C)(C)O)=O)C1	63
+c1cc(ccc1C(C)(C)C=C(CBr)F)Cl	5124
+C1CCCCN1c2ccc(cc2)C(=O)C(C)(C)Br	1788
+CC(C)C1(C(=O)c2c(C1)c3c(c(C)c2C)oc(c3)C(O)=O)Br	1788
+CC(C)CC(C(CBr)=O)C(=O)OCC	400
+CC(C)c1c(c(Br)cc(C(C)C)c1)O	63
+CC(C)c1cc(cc2C(C(=O)Nc12)=O)Br	63
+CC(C)c1nc(N)sc1Br	1066
+CC(c1nnc2n1nc(cc2)C(=O)OC)c3ccc4c(cc(Br)cn4)c3	301
+CC1(C)c2c(C(C)(C)CC1)cc(c(Br)c2)CCCO	63
+CC1(C)c2cc(c(Br)cc2C(CC1)=O)C	63
+CC1(C)c2cc(cc(Br)c2OC1)C=O	63
+CC1(C)Cc2c3c(cc(c2)Br)C(C(=CN13)C(=O)OCC)=O	63
+CC1(C)C(=O)N(c2ccc(c(Br)c2C(c3c(cccc3)F)=N1)N)C	63
+CC1(C)Cc2cc(Br)cc(c2O1)C(O)=O	63
+CC1(C)c2cc(ccc2NC1=O)Br	63
+CC1(C)CCC(C)(C)c2c1cc(Br)c(CCCCCC)c2	63
+C(C(C(Br)C)=O)C(OC)=O	1785
+CCC(CO)Nc1c(Br)cncn1	1225
+c1c(Br)c(cc(Cl)c1F)NC(CC)=O	63
+CCC(c1cc(c(O)c(c1)CN)Br)=O	63
+C(C(c1cccnc1F)=O)(C)Br	504
+C(C)OC(=O)c1c(N)ccc(Br)n1	1068
+CCOC(c1cc(Br)cnc1N)=O	301
+Brc1nc(c(cc1[N+]([O-])=O)Br)CC	2315
+c1(Br)sc(N)nc1CC	1066
+CN(C)C1CCc2c(ccc(c2C1)OC)Br	63
+CN1C=C(c2c(ccc(-c3cnn(C)c3)c2)C1=O)Br	2313
+CN1C=C(c2c(ccc(c2)-c3ncccc3)C1=O)Br	2313
+COC(OC)c1c(c(Br)ncc1F)N	1068
+c12C3=C(C(CCC3(C)Cc1cc(OC)cc2)=O)Br	3179
+COc1ccc(CCBr)c([N+]([O-])=O)c1	1224
+c1cc(Br)c(F)c(c1OC)[N+]([O-])=O	63
+COc1ccc(c(CCO)c1)Br	63
+c1c(OC)c2c(c(c1)Br)ccc(CC)n2	1067
+Cc1c(C(CBr)=O)n(c(C)n1)C	288
+C(c1c2n(ncn2)cnc1CBr)CC	5125
+Cc1nc(O)c(cc1C(CBr)=O)C#N	288
+c1c(C)c(Br)cc(c1O)C(=O)O	63
+c1c(c(cc(O)c1F)C)Br	63
+c12CCCC(c1c(c(Br)cc2C)C)=O	63
+Brc1n2c(nc1)cc(cc2)C	5126
+Cc1nc(N)nc2N(C(C(Br)=Cc12)=O)CC	5127
+ClC(Cl)(Cl)C(NC(=O)Nc1c(cc(s1)Br)C(OC)=O)=O	1069
+Nc1c(cc(Br)c(Cl)c1)C(=O)O	63
+c1(Cl)cc(O)c(Br)nc1	1068
+Clc1cc(c(O)c([N+]([O-])=O)c1)Br	63
+Clc1c(O)ncc(Br)c1	301
+Clc1cnc(Oc2cccc(CBr)c2)cc1	1787
+Nc1c(Br)cc(Cl)cn1	301
+c1(Br)c(Cl)cc(-c2nc(ccc2)C)s1	1069
+FC(F)(F)C(C(Br)CC1CCC(F)(F)CC1)=O	1785
+FC(F)(F)C1(c2cc(Cl)c(c(c2)Cl)Cl)CCN(C1)c3nc(C)c(Br)cc3	301
+FC(F)(F)CC(C=O)Br	504
+FC(F)(F)Oc1ccccc1-c2cc(C(=O)CBr)ccc2	288
+FC(F)(F)c1n[nH]cc1Br	635
+FC(F)(F)c1cc([N+]([O-])=O)cc(Br)c1N	63
+FC(F)(F)c1c(O)ncc(c1)Br	301
+FC(F)(F)c1c(c(cc(-n2c(C)nc(c2)C)c1)Br)N	63
+FC(F)(F)c1c(c(O)ncn1)Br	1225
+FC(F)(F)c1c(F)cc(-c2cc(c(N)c(c2)F)Br)cc1	63
+FC(F)(F)c1cc(ccc1)NC(=O)CC(=O)CBr	400
+FC(F)(F)c1c(ncc(c1)Br)N2CCNCC2	301
+FC(F)(F)c1c(Br)nc(C(OCC)=O)c(N)n1	1786
+FC(F)(F)c1cc(c2cc(-c3oc4c(cccc4)c3Br)ccc2n1)OC	3180
+FC(F)(F)c1c(c(C)n(-c2ccc(cc2)CCO)n1)Br	635
+FC(F)c1ncnc(c1Br)O	1225
+C(F)C(CF)(C(=O)CBr)C	400
+Fc1cc(cc(F)c1-c2c(ccc(C(OC)=O)n2)F)CBr	1787
+c1c(F)c(c(cc1NC(=O)C)F)Oc2c3c(ncc2)[nH]cc3Br	5128
+Fc1cccc(F)c1COc2cc(cnc2N)Br	301
+c1c(cc(c(C)c1)C#N)Br	63
+N1(C(=O)C)c2cc(C)c(Br)c(c2C(CCC(OCC)=O)C1)C	63
+Nc1c(cc(Br)c2CCCN(C)c12)C(=O)OC	63
+c1c(c(OC)cc(c1Br)CCN)OC	63
+Nc1ccc(Br)c(F)c1OC	63
+n1c(nc(N)c(c1Cl)Br)SC(c2ncc3c(c2)cccc3)C	1225
+C(C)c1cc(Br)c(N)c([N+]([O-])=O)c1	63
+Nc1c(cc(cc1[N+]([O-])=O)F)Br	63
+n1cc([N+]([O-])=O)c(N)c(Br)c1	301
+Nc1c(Br)csc1C(=O)OC	1789
+Nc1nc(-c2nc(SC)ncc2)c(s1)Br	1066
+Nc1sc2C(C(CCCc2n1)Br)=O	504
+Nc1sc2c(ccc(F)c2Br)n1	5129
+C(CCC(OCC)=O)C(C(=O)c1sc(cc1)Cl)Br	504
+O(C)c1c(F)ccnc1Br	2315
+O(CC)P(OCC)(Cc1ccc(cc1)Cn2c(Br)nc3c(N)nc(nc23)OCCOC)=O	1065
+O(c1c(OCC)cc(Br)cn1)C	301
+O=C(C(=NOC)C(CBr)=O)OC	400
+C1(=O)CCCC(=O)C1Br	5130
+O=Cc1cc(c(OC)cc1O)Br	63
+O=Cc1cc(c(OC)cc1F)Br	63
+c1c(cc(c(C)c1)C=O)Br	63
+c1c(OC)c2oc(C=O)cc2c(c1)Br	3181
+O=S(=O)(c1cc(c(c(Br)c1)O)[N+]([O-])=O)CC	63
+O=S(=O)(c1sccc1)Nc2c3c(c(O)c(Br)c2)cccc3	63
+O=S(=O)(c1cc2C(=O)N(C)C(C(C)Br)=Nc2cc1)C	1070
+O=S1(=O)Nc2c3c(cccn3)c(cc2-c4ccccc14)Br	1067
+OCC1OC(C(O)C1O)n2c3nc(I)nc(N)c3nc2Br	1065
+c1(Br)c(c(cc(C(=O)c2ccccc2Cl)c1)CC)O	63
+c1c(cc2c(c1)ncc(O)n2)Br	1067
+[N-]=[N+]=NC1CCc2c(c(NC(C)=O)ccc2Br)C1	63
+Nc1c([N+]([O-])=O)cc([N+]([O-])=O)cc1Br	63
+C(CBr)(c1c(c2n(cccc2)n1)-c3cc(F)ncc3)=O	288
+Brc1c(O)nc2c(ccnc2)c1	5131
+c1(F)c(Br)cc(C)c(NC(C)=O)c1	63
+Cc1c(c(c(c(c1)C=O)C)Br)C	63
+FC1CCC(C(C(OC)=O)C1)c2nc(C)sc2Br	1066
+C(n1nc(c(Br)c1CCCCCl)C#N)C	635
+c1(c2c(ccc1Br)N(C(C2)=O)C)Cl	63
+C(CCCC(C(=O)c1cc(OC)c(cc1OC)Cl)Br)CCCC	504
+Brc1c(OC)c(C)c(cc1C(OC)=O)OC	63
+Brc1c(cc(OCC)c(c1F)OCC)Br	63
+c1c(Cl)c(ccc1Cl)Oc2cc(Br)c(Cl)cc2O	63
+c1([N+]([O-])=O)c(C)ccc(C(CBr)=O)c1	288
+COc1cc(cc([N+]([O-])=O)c1N)Br	63
+c1(c(C(=O)O)cnc(C)c1Br)O	301
+c1(c(c(C(CBr)=O)ccc1)F)F	288
+c1(c(Br)cc([N+]([O-])=O)c(F)c1Cl)F	63
+O1c2c(CCC1)c(C)c(Br)cc2F	63
+C(c1cc(c(NC(C)=O)c(Br)c1O)[N+]([O-])=O)(=O)OC	63
+c1([N+]([O-])=O)cc(C(CBr)=O)c(Cl)cc1	288
+c1c(c(O)c(cc1C(=O)OC)F)Br	63
+c1(ccc2c(n1)c(Br)cs2)C(=O)OC	5132
+c1(C)c(sc(Br)c1)COC(=O)C	1069
+c1(nc(c(c(c1)OCc2ccc(cc2F)F)Br)O)C	301
+c12c(nc[nH]1)c(c(N)cc2)Br	5133
+O1c2c(CCC1)c(C)c(Br)cc2Cl	63
+c1cncc2cccc(c12)Br	63
+c1c2c3c(cccc3)c(nc2ccc1Br)O	63
+n1c2c(nn1-c3c(O)ccc(CBr)c3)cccc2	2316
+c1c2C(C(CCCc2ccc1F)Br)=O	504
+c1c2ccc(Br)c(O)c2nc(C)c1	1067
+c1cc(Br)c(c2oc3c(c12)cccc3)C	3181
+c12cnc(cc1c3c([nH]2)ncc(c3)Br)C(=O)OC	301
+c1(c(Br)c(O)c(cc1)C(=O)C)O	63
+c1ccc(cc1C(CBr)=O)F	288
+c1(cc(c(O)nn1)Br)C(=O)OC	5134
+C(C)OC(=O)c1c(c(c([nH]1)C)Br)C	3182
+c1(C)cccc(C)c1-c2nc(Br)c(N)nc2	1786
+c1c(CSc2nc3nc(c(Br)nc3c(n2)NC(C)CO)O)c(c(F)cc1)F	5135
+c1c(Cl)c(c(cc1)Cl)C=2C(=O)N(c3nc(nc(N)c3C=2)Nc4ccc(cc4)Br)C	63
+c1c(c(N)c(c(F)c1C#N)Br)F	63
+c1c(F)c(ccc1OCCCCl)C(CBr)=O	288
+[nH]1cc(C(=O)OC)c2cc(I)c(cc12)Br	1067
+Clc1cc(c(Br)cc1C)NC(C)=O	63
+C(O)(c1c(OC)ccc(Br)c1OC)=O	63
+c1c(cc([N+]([O-])=O)cc1Br)C(=O)O	63
+c1c(c(Cl)cc(C(CBr)=O)c1)OC	288
+c1c(c(c(F)cc1)C)CC(=O)CBr	400
+c1c(c(c2CC3(CCCC)CCC(C(=C3c2c1)Br)=O)C)OC	3179
+c1c(cc2C(C(CCOc2c1)Br)=O)Br	504
+c1c(cc2c(OC(C(CBr)=O)=CC2=O)c1)Br	3178
+c1c(OC)c(-c2ncccc2)ccc1C(CBr)=O	288
+n1c(Br)c(ccc1C)O	1068
+o1c(cc(Br)c1C)C(=O)OC	3180
+c1cc(C(CBr)=O)c(cc1F)O	288
+C1(Nc2c(OC1)cc(C)c(Br)c2)=O	63
+c1(ccc(Br)nc1C(=O)OC)O	1068
+COc1ccc(C(CBr)=O)cc1OC	288
+c12c(CCN1)cc([N+]([O-])=O)cc2Br	63
+c1(OC)c(Br)cc(cc1CCCC(=O)O)C	63
+c1ccccc1CN2C(C(CC)Br)=NC3=C(CCC3)C2=O	1070
+c1ccccc1CN2C(c3cccnc3N=C2C(Br)CC)=O	1070
+c1ccccc1COc2cc(cnc2N)Br	301
+c1cc(ccc1)COc2nncc3c(c(C)n(Cc4ccc(cc4)OC)c23)Br	5136
+c1ccccc1Cn2nc(C#N)c(Br)c2C	635
+c1ccccc1NC=2N(C)C(C(Br)=CN=2)=O	5137
+c1cc(ccc1)NC(=O)CC(=O)CBr	400
+c1cc(ccc1)Oc2cc(cnc2N)Br	301
+c1ccccc1S(=O)(=O)CC(CBr)=O	400
+O=S(=O)(CCCc1c(Br)c(C#N)nn1CCCC)c2ccccc2	635
+c1cc(ccc1)S(=O)(=O)N(C)CC(c2cc(Cl)ccc2)CCCBr	1224
+O=S(=O)(c1ccccc1)n2cc(Br)c3ccc(F)cc23	3182
+c1cc(ccc1CN2C(SCC)=NC(=C(C2=O)Br)C)-c3c(C#N)cccc3	3183
+c1cc(ccc1CN2C(CCC)=NC(=C(Br)C2=O)CC)-c3c(C#N)cccc3	3183
+c1ccccc1COCc2nc(N)nc(c2-c3cc(Br)c(N)cc3)N	63
+c1cc(ccc1OC)-c2ccc3c(ccc(OC)c3Br)c2	63
+c1cc(ccc1-c2cc(Br)c(OC)cc2)C(=O)OCC	63
+c1cc(ccc1CCC(CBr)=O)Br	400
+c1cc(ccc1C(CBr)=O)S(=O)(=O)C	288
+c1cc(ccc1C(C(Br)c2c(cccc2F)Cl)=O)F	5138
+CC(C)(c1cc(Br)c(CC(C)CCl)cc1)CCCC	63
+CC(C)CC(c1cc(c(cc1)O)Br)C(OCC)=O	63
+c1cc(ccc1NC(=O)C)C(=O)C(CC)Br	504
+c1cc(ccc1C)C2C(C)(C)Oc3c(C)c(C)c(Br)c(c23)C	63
+c1cc(ccc1C(C)C)C2COc3c(c(c(c(C)c23)Br)C)C	63
+c1cc(ccc1C)CC(OCC)CBr	1224
+C(OCC)(Cc1ccc(c(Br)c1)O)=O	63
+c1cc(ccc1CCC(CBr)=O)[N+]([O-])=O	400
+c1cc(ccc1CCc2cc([nH]c2Br)C(=O)O)Cl	5139
+c1cc(ccc1Cc2c(cc(c(Br)c2)OC)C)C	63
+c1cc(ccc1F)Cc2ccc(Br)o2	5140
+c1cc(ccc1Cl)Oc2cc(c(cc2)C(CBr)=O)CCC	288
+c1cnccc1CNc2nc3c(nc(Br)n3Cc4ccc(cc4)CO)c(N)n2	1065
+c1cc(ccc1N2N(C)C(CBr)=C(C3CC3)C2=O)F	3184
+c1cc(ccc1N2C(=O)c3c(N=C2C(Br)C)cccc3)F	1070
+c1cc(ccc1F)N2C(C=CN=C2C(C)Br)=O	1070
+c1cc(ccc1C(CBr)=O)NC(=O)C	288
+c1cc(c(Br)cc1CCCC)NC(C)=O	63
+c1c(Br)c(ccc1C(=O)OC)O	63
+c1c(ccc(c1Br)O)C(=O)C	63
+C(OC(CCCc1ccc(c(Br)c1)O)=O)C	63
+c1cc(ccc1OC)-c2c3c(-c4cc(Br)sc4C3)n[nH]2	1069
+c1cc(ccc1OC)-c2nc(C)oc2Br	5141
+c1c(OC)c(cc(-c2sc(c(C)c2C)C(=O)OC)c1)Br	63
+c1cc(ccc1OC)CN2C(=O)N(CCC)C(=C([N+](=O)[O-])C2=O)CBr	5142
+Nc1ccc(cc1Br)OC	63
+FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C	2314
+c1cc(ccc1C(CBr)=O)OCCC	288
+c1cc(ccc1Oc2ccc(cc2)[N+]([O-])=O)CBr	2316
+C1CCCCC1(Br)C(=O)c2ccc(cc2)SC	1788
+c1([N+]([O-])=O)cc(Br)c(cc1)O	63
+Nc1ccc([N+]([O-])=O)cc1Br	63
+c1cnccc1-c2c(ncc(N(C)C)n2)Br	1786
+COc1c(Br)cc(Br)cn1	301
+c1ccc2c(c1)c(c3c(cccc3)c2-c4ccc(C)c5c4cccc5)Br	63
+c1ccccc1-c2c(ccc(Br)c2Cl)SC	63
+c1ccccc1-c2c3c(sc2Br)nc(nc3)Cl	1069
+c1cc(ccc1)-c2n3ccc(Br)cc3c(c2Cc4cccc(F)c4C)C(=O)OC	5143
+c1cc(ccc1)-c2c(Br)c(Cl)nc(n2)N	1225
+c1ccccc1C(=O)C=2C(N(C(=O)N(C=2CBr)C)C)=O	3184
+CC(C)(C(=O)C(=O)O)c1ccc(cc1)Br	63
+c1cc(ccc1)C2(CCC2)C(=O)CBr	400
+c1cc(ccc1)C2CN(C)CCc3c2sc(c3Br)CO	1789
+CC(C)C(C=1N(C(=O)c2nc3c(nc2N=1)cccc3)Cc4ccccc4)Br	1070
+c1ccccc1CN2C(C(CC)Br)=Nc3onc(C)c3C2=O	1070
+c1ccccc1COc2c(C)cc(c(C=O)c2)Br	63
+c1ccccc1COc2ccc(O)c(c2)Br	63
+c1ccccc1COc2c(c(cc(Br)c2)C)N	63
+c1cc(ccc1)Cn2c3nc(N(C)C)nc(N)c3nc2Br	1065
+c1(cc(Br)cnc1OC)OC	301
+c1(C)c2c(c(ncc2Br)O)ccc1	301
+c1cnccc1-c2nc(ccc2Br)NCC(N)Cc3ccccc3	301
+n1c(ccc2ncc(n12)Br)F	3185
+n12c(c(Br)cn1)nc(Cl)cc2	3186
+n12c(c(Br)cn1)nc(NCCOC)cc2	3186
+n1[nH]c2cnc3c(cc(OC)c(c3)OC)c2c1Br	5144
+n1(C)ncc(C(CBr)=O)c1	288
+c1c(cc2c(C(=O)O)n[nH]c2c1)Br	63
+c1(c(nc(nc1CC)N)N)Br	1225
+Nc1c(nc(OC)cc1)Br	1068
+Cc1nccc2c3cc(ccc3[nH]c12)Br	63
+n1ccnn1-c2c(C(N3CC(CCC3C)C(CBr)=O)=O)cccc2	400
+n1n(c(C)c(Br)c1C#N)C	635
+n1nsc(c1C)C(=O)CBr	288
+c1(cc(Br)c(Cl)s1)C(=O)OC	1789
+c1(C(=O)O)cc(Br)c(C)s1	1789
+C(Br)CCCCOCCCCBr	114
+C(Br)CCCOCCCBr	114
+C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O	114
+C(C)OC(C1(Oc2cc(ccc2CC1)OCCCBr)CC)=O	114
+C(CCCCCCCCCCCCBr)CCCCOC(C)=O	114
+C(CCCCBr)SCC(=O)N(C)CCCC	114
+n1c(c2c(nc1NCc3ccc(c(Cl)c3)Cl)ncn2CCCCBr)O	114
+C(CCCBr)CN(C(Nc1c(F)cc(cc1)F)=O)CCCCCCC	114
+C(CCCCBr)(NCCCCCBr)=O	114
+BrCCC1CCCOC1	114
+BrCCCC1CCOC1	114
+Nc1c2n(c(CCCBr)cc2Br)ncn1	114
+C(c1c(Cl)ccc([N+]([O-])=O)c1)Br	302
+C(Br)c1cc(c(Cl)cc1F)OC	302
+C1CC(CC1CBr)CC	114
+C1CCCCC1OCCBr	114
+C1CC(CCC1c2ccc(cc2)-c3ccc(cc3)CBr)CCCCC	302
+C1CC(CCN1c2nc(CN3CCCC3=O)nc4c2c(cs4)-c5ccccc5)CBr	114
+C1CC(CCC12C(=O)C(c3cc(ccc3)C)=C(O2)c4cn5ncnc5cc4)Br	5145
+C1COCCC1Nc2c3c(n(nc3)CC)nc(c2CNC(=O)c4ccc(cc4)CCCCCCCCBr)CC	114
+CC(C)(Cc1ccc(cc1)CCBr)C(=O)OC	114
+CC(C)(C)OC(=O)COCCCCBr	114
+CC(C)(C)OC(=O)NC(CCBr)C(OC)=O	114
+CC(C)(C)OC(N1CC(CC1)NC(=O)COCCBr)=O	114
+CC(C)(C)OC(NC(CCC(=O)OC1CCCCC1)CBr)=O	114
+CC(C)(C)OC(NC(C)CCCBr)=O	114
+CC(C)(C)[Si](C)(C)OCc1cc(cc(c1)CBr)Br	302
+CC(C)(c1nc(CBr)ccc1)OC	1790
+CC(C)c1n(CCCCCBr)c2ccccc2n1	114
+CC(C)n1ncc2c(cc(nc12)-c3ccc(cc3)CBr)C(NCc4c(nc(C)cc4C)O)=O	302
+CC1(C)C(N(CCBr)c2cc3c([nH]c(n3)-c4cc([nH]n4)C)cc12)=O	114
+BrCCCSCCCCCCCCCCCC	114
+Cc1cccc(C)c1COc2cccc(c2C)CBr	302
+Clc1cc2c(cc1)C(CBr)CC2	114
+c1c(C)cc(nc1Cl)Br	5146
+FC(F)(F)c1cc(CBr)c(-c2c(OC)ccc(c2)-c3ccc(C(=O)OC)cc3C)cc1	302
+N1(C(=O)C)c2cc(C)cc(C)c2C(C1)CCBr	114
+O(C)C(c1sc(cc1)C#CCBr)=O	5147
+O(C)c1c(c(O)c2C(OCc2c1C)=O)CC=C(CBr)C	5148
+O(CC1C(CC=CC1)CBr)C(=O)C	114
+O1C(c2c(cc(cc2)CCBr)C1)=O	114
+BrCc1ccnc(c1)C(=O)N	302
+O=C(c1cc(cc(C(=O)OC)n1)CCCBr)OC	114
+c1ccccc1COC(=O)CN2C(c3c(cc(N(S(=O)(=O)C)CCBr)cc3)C2=O)=O	114
+Oc1ccc2C(CCCCCCBr)=C(CCCc2c1)c3cc(ccc3)O	114
+S(c1ccc(cc1F)CBr)C	302
+c1(ccc(C)n1C(C)CBr)C	114
+c1(CBr)c(Cl)nc2c(cccc2)c1	3187
+c1(cc(ccc1F)Br)COCCCCBr	114
+c1(cc(ccc1[N+]([O-])=O)CBr)OC	302
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCBr	114
+c1(nc(CBr)ccc1)N2CCCC2=O	1790
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4CCC(CC4)(c5ccc(cc5)Br)CBr	114
+c12c(NC(=O)N1CCCBr)cc(C=O)cc2	114
+C1CCc2c1cc(c(I)c2)CBr	302
+c1[nH]c2c(c1CCCBr)cc([N+]([O-])=O)cc2	114
+c1c(C)c(c(cc1-c2nc(O)c3c(OC)cc(OC)cc3n2)C)OCCCBr	114
+c1(cc(cc(Cl)c1NCC(OCC)=O)CCBr)Cl	114
+c1c(OC(C)=O)cc(cc1)CCCCBr	114
+c1c(OC)c2oc(CBr)cc2c(c1)Br	5149
+c1c(OC)ccc2c(c(C(CCBr)CCCC)sc12)C	114
+c1c(OCCBr)cc(c(OC)c1)OC	114
+C(c1c(C#N)ccc(CBr)c1)#N	302
+c1c(c([N+]([O-])=O)ccc1)CCBr	114
+c1c(cc(CBr)c(F)c1)Br	302
+c1c(ccc(OCCBr)c1F)F	114
+c1cc(CCBr)c(cc1F)[N+]([O-])=O	114
+c1cc(CBr)ncc1Br	1790
+c1cc(c(CBr)cc1Br)OCc2cccs2	302
+c1cc(cc(C)c1OCC(OCC)=O)CBr	302
+c1cc(ccc1)-c2nc(nc(OC)n2)-c3c(Cl)ccc(CBr)c3	302
+c1cc(ccc1)-c2ncc(N(C(C)C)CCCCBr)nc2-c3ccccc3	114
+c1cc(ccc1)C2=C(c3c(CCC2)cc(O)cc3)CCCCCCBr	114
+c1cc(ccc1)Cn2nc(c(c2)CBr)[N+](=O)[O-]	5150
+c1cc(ccc1-c2c(sc(n2)NC(=O)C)-c3ccc(cc3)S(=O)(=O)C)CCCBr	114
+c1cc(ccc1C#N)CCCBr	114
+c1cc(ccc1C)-c2oc(C)c(n2)Cc3cccc(CBr)c3	302
+c1cc(ccc1OCCOCc2cc(ccc2)C#N)CCBr	114
+c1cc(ccc1CCCOCc2ccccc2)CBr	302
+c1cc(ccc1NC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)CBr	302
+c1cc(ccc1CBr)OP(OCC)(OCC)=O	302
+C1CC(CCC1)C(CBr)n2c3cc(F)c(cc3nc2-c4ccc(cc4)Cl)F	114
+c1cc(ccc1F)CCc2c(cc(CBr)cc2)C(OC)=O	302
+c1cc(ccc1F)N2CC(CBr)CC2=O	114
+c1cc(ccc1OC(=O)C)CBr	302
+c1cc(ccc1CCCBr)OCC(=O)OC	114
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=O)(=NCCBr)C	114
+c1ccccc1COc2ccc(cc2)SCCCBr	114
+c1ccccc1-c2ccc(cc2)CCCCCBr	114
+c1ccccc1-n2cc(C)c(CBr)n2	1790
+c1ccccc1C(N2C(CC(C2)(CCBr)COC)=O)C	114
+c1ccccc1COC(N2CCCCC2CCCBr)=O	114
+c1ccccc1COCCCCCBr	114
+c1ccccc1COc2ccc3c(c2)OC(=O)C=C3CCBr	5151
+c1ccccc1OCCCOCCOCCCBr	114
+O1CC2(COC1(OC2)C3CCC(CC3)C=C(Br)Br)CCC	5152
+BrC1(Br)CC1(CCOC(C)OCC)Br	3188
+BrC1(Br)CC1(COCCCCCC)Br	3188
+C1CC1(c2c(Cl)nc(Cl)cc2)C#N	5153
+C1CC12C(Nc3c(cccc23)F)=O	5154
+c1(C=O)cc(c(F)cc1)OCCBr	5155
+BrC(Br)COc1cc2c(cc1OC)ncnc2Nc3cc(ccc3)Br	1791
+BrC(Br)COc1ccc([N+](=O)[O-])cc1-n2cccc2	1791
+c1(cc(ccc1)Nc2c3c(cc(OC)c(OCCBr)c3)ncn2)Br	3189
+c1cccn1-c2c(OCCBr)ccc([N+](=O)[O-])c2	3189
+FC(F)Oc1n(C)nc(-c2cc(C=O)c(cc2Cl)Cl)c1Cl	5156
+O=Cc1ccc(C(=O)O)cc1F	5157
+Nc1nc(c(-c2cc(F)ncc2)s1)-c3cc(C)ccc3	5158
+N1c2c(CC1=O)cc(Br)cn2	5159
+c1ccccc1S(=O)(=O)OCCC2(CC2(Br)Br)Br	1226
+Nc1c(c2OCC3C(c2c(F)c1)C3)C(=O)OC	5160
+BrC1(Br)C(CCO)(Br)C1	5161
+C(CCOCC=1CC=1)CCC	5162
+c1cc(ccc1)C=2C(=C(C#N)C(N(c3c(cccc3)C)C=2)=O)Cl	5163
+CC1(C)C(C)(C)OB(O1)C=2C(N(C)c3c(cnc(n3)NC)C=2)=O	5164
+C(C=1N=C2SC=C(C)N2C(C=1Br)=O)(C)N=[N+]=[N-]	5165
+CC(C)(C)[Si](C)(C)OC1CC(=C)C(=C1C)CC=C	5166
+C(c1ccc(c(F)c1OC)F)(=C)CC	5167
+c1(OCC#CC)c2ccccc2c(C=O)c(C)c1	3190
+c1cc(ccc1Cc2c(Cl)cc(CCCOCC#CC)c(Br)c2)OCC	5168
+c1cc(ccc1OCC#CC)C(=O)OC	3190
+O(CC(=C)Br)CCCCCC	5169
+CCN(CC)C(CBr)=O	1227
+c1(cc(I)ccc1NC(CBr)=O)C(=O)c2ccccc2Cl	829
+C1CN(CCO1)C(CBr)=O	1227
+CC(C)(C)OC(NC(C)(C)CN(c1ccccc1C)C(=O)CBr)=O	2317
+CCCCN(C)C(=O)CBr	1227
+c1(cc(Cl)c(OC)cc1OC)NC(CBr)=O	829
+Clc1cc(c(cc1)C(=O)O)NC(CBr)=O	829
+NC(=O)c1c(sc2c1CCCC2)NC(CBr)=O	3191
+Clc1c(C(=O)O)c(ccc1)NC(CBr)=O	829
+c1ccccc1CNC(=O)CN2CCc3c(cc(OC)c(c3)OC)C2Cc4cc(c(cc4)O)OC	5170
+N(CCOCCOCCOCCNC(=O)CBr)C(CCCCC(=O)O)=O	5171
+c12c(C(=O)NCCO)c(sc1CCCC2)NC(CBr)=O	3191
+BrCC(Nc1cccc(c1)F)=O	829
+c1ccccc1Oc2c3c(ccc2Br)OCC(=O)N3	5172
+c1cc(ccc1)COC(Nc2ccc(cc2)CN3c4c(N(C5C(C3=O)CCC5)C(CBr)=O)cccc4)=O	2317
+CC(C)N(c1ccc(cc1)C)C(=O)CBr	2317
+c1cc(ccc1)CN(C(C)C)C(CBr)=O	1227
+c1ccccc1COc2nn3c(c2)CN(C(=O)CBr)CC3	1227
+CC(C)(C)OC(=O)NCCCNc1scc(C(=O)c2c(cccc2)C)n1	5173
+CC(C)(C)OC(=O)N1CC2(C1)CCN(CC2)C(CBr)=O	58
+CCOC(OCC)CCN(C(=O)CBr)CC1OCCO1	58
+O=S(=O)(c1ccccc1-c2ccc(c(c2)F)NC(=O)CBr)C	26
+c1(OCCC)ccc(C(=O)CBr)cc1-c2nc(c3c(c(nn3C)CCC)n2)O	94
+CC(C)c1ccc(cc1)-c2c(cccc2C)C(Nc3cnc(N4CCN(CC4)CC(N)=O)cc3)=O	1228
+c1(cc(c2c(c(sc2n1)C(=O)N)N)C(=O)OCC)C	3192
+Cc1cccc(C)c1-c2nc(C)c(c(N3CCN(C(C3)C)CC(=O)N)n2)COc4cc(ccc4C)C(C)C	1228
+c1cc(OCC(N)=O)c(C#N)cc1Br	3193
+c1cc(ccc1Br)C2CC2NCC(N)=O	1229
+c1cc(ccc1Cl)C(Nc2scc(n2)CC(N3CCN(CC3)C(CBr)=O)=O)=O	10
+CC(C)(C)OC(=O)N1CCC(CC1)OCC(=O)O	337
+FC1(F)Oc2c(O1)cc(N(C(=O)CBr)CC)cc2	429
+O=C(CBr)N(c1ccc2nc(oc2c1)C)C	3194
+O(c1cccnc1Br)CC(=O)OC	1456
+C1(N)Cc2ccccc2N(CC(=O)OC)C1=O	933
+c1c2CCCC(N(C)Cc3n(c4c(n3)cccc4)CC(=O)OC)c2ncc1	1457
+C1C2CC3CC(CC1C3)C2OC(=O)N4CCC(CC4)(COCC(=O)OC)c5ccccc5	337
+c1cc(ccc1)COC(N2CCC(N(CC(OC)=O)C3CCCCC3)C2)=O	303
+C1CC(CCC1O)Nc2nc3c(c(ccc3cn2)C)OCC(=O)OC	1456
+FC1(F)CCN(CC1)CC(=O)OC	303
+C1CC1NC(c2cc(-c3cc4c(cc3)n(nc4)CC(OC)=O)c(C)c(F)c2)=O	1458
+C1CN(CCC12CCc3ccccc23)CC4C(N(CC(OC)=O)c5c(cccc5)C4)=O	933
+C1CN(CCC1CN(CC(=O)OC)C2CCC2)c3c4c(csc4ncn3)-c5ccccc5	303
+C(CC1C(CCCCC1)=O)(OC)=O	5174
+C1CC(CCN1CC(=O)OC)O	303
+C1CN(CCC1Oc2ccc(cc2)-n3c(nc4cnccc34)-c5nonc5N)CC(=O)OC	303
+C1c2c(cccc2CCC1)OCC(OC)=O	52
+CC(C)(C)OC(=O)N1CC(N(Cc2ccc(cc2)Cl)CC(OC)=O)CC1	303
+CC(C)(C)OC(N1CC(N(C(=O)C12COCCOC2)CC(OC)=O)c3cccc(F)c3)=O	584
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(-c3ccc(cc3)OC)c(n2CC(OC)=O)-c4ccc(cc4)OC	5175
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC(=O)OC)C	52
+CC(C)(C)OC(=O)NC1CN(c2cc(OCC(OC)=O)ccc2)CCC1	52
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)OCC(=O)OC	52
+CC(C)C1C(=O)N(CC(OC)=O)c2c(c(C(C)C)ccc2)O1	933
+c1(C(=O)C)c(ccc(OC)c1)OCC(OC)=O	52
+Clc1c([N+]([O-])=O)cc(OCC(OC)=O)cc1	52
+Clc1ccc(c(C=O)c1)OCC(OC)=O	52
+FC(F)(F)C1CCN(CC1)CC(=O)OC	303
+FC(F)(F)c1c(Br)ccc(NCC(=O)OC)c1	1230
+FC(F)(F)c1ccc(cc1)-c2nc(n(-c3ccc(cc3)NCC(=O)OC)c2)Cc4ccc(cc4)Br	5176
+FC(F)(F)c1cc(ccc1)N2C(=O)N(C(C3=C2CCCC3=O)c4ccc(cc4)C#N)CC(=O)OC	5177
+N#Cc1ccccc1OCC(OC)=O	52
+C(C(=O)OC)NCCNC(c1nc(c(nc1N)N)Cl)=O	1459
+Nc1cc(OCC(OC)=O)ccc1F	52
+c1cc(c2c3c(n(c2c1)Cc4c5ccccc5ccc4)cccc3OCC(OC)=O)C(=O)N	52
+O(CC(=O)OC)Cc1nccs1	337
+Clc1cc(cc(Cl)c1)-c2cn(CC(=O)OC)cc2C#N	2318
+c1cccc(c1OCC(OC)=O)Oc2cc(ccc2[N+](=O)[O-])F	52
+c1(cccc(OCC(OC)=O)c1)Br	52
+c12c(cc([N+]([O-])=O)cc1)ccn2CC(OC)=O	256
+Cc1cc(cc(C)c1OCC(OC)=O)Br	52
+Cc1cc(cc(C)c1OCC(OC)=O)C=O	52
+c1(cc(C)cc(C)c1OCC(OC)=O)-c2occc2	52
+c1c(CO)c(c(OCC(OC)=O)cc1)Cl	52
+c1c(c(OCC(OC)=O)c([N+]([O-])=O)cc1)CC=C	52
+c1c(c(ccc1)F)-c2ncc(OCC(OC)=O)cc2	1456
+c1c(OCC(OC)=O)c(cc(c1)C(=O)C)Br	52
+O(CC(=O)OC)c1cccnc1	1456
+c1cc(ccc1)-c2cc(nc3ccccc23)-c4ccc(cc4)OCC(OC)=O	52
+c1cc(ccc1)C(Oc2cc(c(cc2)OCC(OC)=O)[N+](=O)[O-])=O	52
+c1cc(ccc1)COc2cc(OCC(=O)OC)cc(c2[N+](=O)[O-])OC	52
+c1ccccc1Cn2c3c(c4c(OCC(=O)OC)cccc24)c(ccc3)C(N)=O	52
+c1cc(ccc1)Cn2c3cc4CCCCc4c(OCC(=O)OC)c3c5c(cccc25)C(N)=O	52
+c1cc(ccc1-c2c3c(n(C)c(-c4ccccc4)c3C)ccc2)OCC(=O)OC	52
+c1cc(ccc1-c2nc(-c3ccc(cc3)F)n(CC(=O)OC)n2)F	5178
+c1cc(ccc1-n2cccn2)Cc3c(c4c(nc3O)c(Cl)ccc4OCC(=O)OC)C	52
+c1cc(ccc1Cc2c(nn3c2nc(cc3C)C)CC)OCC(OC)=O	52
+c1cc(ccc1N(C)c2c3c(nc(C)n2)cccc3)OCC(OC)=O	52
+c1cc(ccc1OCC(OC)=O)N=Nc2ccc(cc2)CO	52
+c1cc(ccc1OCC(=O)OC)CCCO	52
+c1cc(ccc1OC)C(=O)c2ccc(cc2)OCC(=O)OC	52
+c1cc(ccc1Cl)Oc2c(C)n(c3ccc(SC)cc23)CC(OC)=O	256
+c1cc(ccc1SC)C(C(C)CC(OC)=O)=O	5179
+c1ccccc1CN2C(=O)c3ccccc3C(=N2)Cc4c(C)n(c5ccc(Cl)cc45)CC(OC)=O	256
+c1ccccc1COc2ccc3c(c(C(C)=O)nn3CC(OC)=O)c2	1458
+c1ccccc1Cn2c(ccc2-c3cc4ccc(cc4cc3)OCC(OC)=O)-c5ccccc5	52
+c1ccccc1Cn2c(cc3c2cccc3OCC(OC)=O)C	52
+c1cc(ccc1)OCC(=O)c2c(c3ccccc3o2)C	702
+Ic1cc(CO)nc(Cl)c1OCC(C)=C	5180
+c1cc(ccc1)-c2cc(ccc2)C(CC(=C)C)C(O)=O	5181
+c1cc(ccc1Br)OCC(=C)C	2320
+c1cc(ccc1OCCOCCCC)-c2cc3c(cc2)N(CC(C)=C)CCCC(=C3)C(=O)OC	5182
+c1ccccc1COc2ccc(Br)c(OCC(=C)C)c2	2320
+FC(F)(F)c1cc(c(c(SC)c1)C(NC2CCCCC2N3CCC(O)C3)=O)OC	1793
+C(C(CCCC)COCCCCCCCCCCO)C	176
+C(#N)CC(CCCC)CC	830
+C(COc1ccc(cc1[N+]([O-])=O)C)(CCCC)CC	8
+C(c1cscc1)C(CCCC)CC	5183
+c1(nn(cc1)CC(Nc2cccc(c2)F)=O)[N+]([O-])=O	1460
+c1cc(ccc1OCC(c2cccnc2C)=O)CC(=O)OC	702
+COc1cccc(c1)SCC(c2cccnc2)=O	5184
+c1cc(ccc1CC(OCC(c2cccnc2)=O)=O)OCc3ccc4ccccc4n3	1231
+n1c(Br)cc(-c2csc(n2)Nc3cccc(C)c3)cc1	354
+C1CC1(c2c(Cl)c(C(=O)OC)ccc2)C#N	934
+C1COCCN1c2cc(c([N+](=O)[O-])cc2)OCCBr	8
+CC(C)(Oc1ccc(cc1C)OCCBr)C(OC)=O	8
+CC(C)(C)OC(NCCOc1ccc(cc1OC)N2C(c3cc(-c4ccc(cc4)Cl)cn3CC2)=O)=O	5185
+CC(C)(C)OC(=O)N1CCOc2ccc(Br)cc12	5186
+CC(C)(C)c1cc(cc([N+](=O)[O-])c1OCCBr)C(=O)C	8
+CC(C)(Oc1c(C)cc(c(C)c1)SCCBr)C(=O)OC	636
+c1c(cc2c3c4c(ccc3n(CCBr)c2c1)C(CC4)=O)C(C)=O	935
+C1CC1(C#N)c2c(Cl)cc(cc2Cl)Cl	934
+c1c(ccc(Cl)c1F)OCCBr	8
+FC(F)(F)C(=NOCCBr)c1ccccc1	1071
+FC(F)(F)COc1ccccc1OCCBr	8
+FC(F)(F)c1nc(cs1)-c2ccccc2OCCBr	8
+FC(F)Oc1ccc(cc1-c2c(NC(=O)c3c4n(cccn4)nc3)cn(n2)CCBr)Cl	338
+C(#N)C(C#N)=C1N(CCN1CCCO)CCBr	5187
+C1CC1(c2ccnc(c2)Br)C#N	934
+O(C(=O)CCCN(CCC1Cc2c(cccc2)OC1)CCBr)CC	28
+O=S(=O)(N1CCOc2ccc(cc12)C(OC)=O)c3cc(Cl)ccc3OC	5188
+c1cc2c(cc1C(OCC)=O)OCCO2	3195
+c1c(c(ccc1)OCCBr)Br	8
+c1([N+]([O-])=O)cc(OCCBr)c(cc1)C#N	8
+C1CC1(c2cc([N+]([O-])=O)ccc2)C#N	934
+c1(OCCBr)cccc2nc(C)ccc12	8
+c1(OCCBr)cccc2c1ccc(C#N)n2	8
+c1(cc(cc(Cl)c1OCCBr)Cl)Cl	8
+c1cc(OCCBr)cc([N+]([O-])=O)c1OCC(OC)=O	8
+C1CC1(C(Nc2c(C)cc(cc2)Br)=O)C(OCC)=O	5189
+c1cc(c(cc1Br)C=O)OCCBr	8
+c1cc(OCCBr)c(N)cc1Br	8
+C1CC1(c2ccc(Br)cc2F)C#N	934
+c1cc(ccc1)C(=NOCCBr)CC(C)C	1071
+c1cc(ccc1)CC2COC(=O)N2C(CC(c3nocc3)c4ccc(cc4)OCCBr)=O	8
+C1CC1(c2ccc(cc2)Br)C#N	934
+c1cc(ccc1Br)OCCBr	8
+c1cc(ccc1C(c2cccs2)=O)C3(CC3)C#N	934
+c1cc(ccc1OCCBr)C=O	8
+C1CC1(c2ccc(cc2)C(O)=O)C#N	934
+c1cc(ccc1F)-c2cc(C(=O)OCC)n(n2)CCBr	338
+c1cc(ccc1OCCBr)CC=2c3ccc(cc3OC(=O)C=2c4c(Cl)cc(Cl)cc4)OC	8
+c12ccccc1OCCN2	5190
+c1ccc(cc1C(=O)OC)OCCBr	8
+c1ccccc1COc2cc(N3C(=O)C4(CC4)c5c(nc(-c6ccc(OC)c(c6)F)nc35)C)ccc2	5191
+c1c(OC(CCBr)C(OC)=O)ccc([N+]([O-])=O)c1F	289
+C1OCCCC1CCn2c(OC)nc3c2nc(nc3N)OC(CCC)C	5192
+C(OC(CC1c2c(cc(cc2)OCCCBr)CC1)=O)C	8
+C(c1c(OCCCBr)c(cc2CCC(C)(Oc12)CCC(OCC)=O)C(=O)C)CC	8
+C(c1c(ccc(c1OCCCBr)C(=O)C)OCC(OCC)=O)CC	8
+CC(C)(C)OC(N1CCN(CC1)CCCBr)=O	28
+CC(C)(C)OC(=O)n1cc(C2(CCC2)C#N)c3cc(C(OC)=O)ccc13	5193
+CC1(C)C(c2c(C1)c(ccc2)OCCCBr)N3CCCCC3	8
+C1CCC1(c2cccc(OC)c2)C#N	3196
+c1c(Cl)cc(cc1Sc2n(CCCBr)c3c(n2)c(ncn3)N)Cl	637
+Clc1ccc2c(cc(C(=O)OCC)n2CCCBr)c1	339
+FC(F)(F)COc1c(Br)cc(C2(CCC2)C(=O)OCC)cc1Cl	5194
+FC(F)(F)c1c(cnn1-c2cccc(-c3cc(F)ccc3CCc4ccc(cc4C)OCCCBr)n2)C(=O)OCC	8
+FC(F)(F)c1cc(ccc1)N=C2c3ccccc3N(c4ccc(cc4)OCCCBr)C2=O	8
+FC(F)(F)c1c2c(c(c(cc2)OCCCBr)CCC)on1	8
+CN(c1cc(ccc1)OC)CCCBr	936
+C(Oc1ccc(N)c([N+]([O-])=O)c1)CCBr	8
+O(CC)C(C(O)c1cccc(OCCCBr)c1)=O	8
+C1CCOc2c(cc(C=O)cc2O1)Cl	5195
+O=S(=O)(N(CCCBr)CC)c1ccccc1[N+](=O)[O-]	831
+O=S(=O)(N(CCCBr)CCC)c1c([N+](=O)[O-])cccc1	831
+C(COc1ccccc1NC(c2c3c([nH]cc3)ccc2)=O)CBr	8
+Cc1cc(cc(C)c1OCCCBr)-c2nc3c(o2)nc(Cc4ccc(cc4)Cl)nc3OCCC	8
+C(Oc1c(Cl)cc(CO)c(c1)OC)CCBr	8
+C(Oc1cccc([N+]([O-])=O)c1)CCBr	8
+C(Oc1ccc(c([N+]([O-])=O)c1)C)CCBr	8
+C(COc1cc(nc2ccc(cc12)OCCCC(OCC)=O)C)CBr	8
+C1C(CC1)(C#N)c2cc3c(cccc3)cc2	3196
+C(Oc1cccc(CC)c1)CCBr	8
+c1cc(C)cc(OCCCBr)c1OC	8
+C(Oc1cc2c(n(CC(OC)=O)cc2)cc1)CCBr	8
+c1cc(ccc1OCCCBr)Br	8
+c1cc(ccc1C(OCC)=O)-c2ccc(OCCCBr)c(-c3ccc4C(C)(C)CCC(C)(C)c4c3)c2	8
+c1cn(c2cccc([N+]([O-])=O)c12)CCCBr	339
+c1cc2c(cc1)n(c3ccccc23)CCCBr	935
+C1CC1CCOc2nc3n(CCCC4CCOC4)c(OC)nc3c(n2)N	637
+N#CC1(C#N)CCCC1	5196
+c1(ccc(c(O)c1CCC)C(=O)C)SCCCCBr	636
+C1CC1COc2c([N+](=O)[O-])ccc(c2)C3(CCCC3)C(OCC)=O	3197
+N1(CCCC1=O)CCCCBr	638
+C1CCN(C1)Cc2c(N3CCN(CC3)C)c(C)cc([N+]([O-])=O)c2	1793
+C1OC(CCC1)OCC=2OC=C(OCCCCBr)C(=O)C=2	3198
+C(Br)CCCOCCCCCOC1CCCCO1	176
+C(Br)CCCOCCCOC1OCCCC1	176
+CC(C)(C)OC(=O)NC1CCC(CC1)N2CCCC2	1793
+CC(C)(C)OC(c1ccc(cc1)CCCCOCCCCBr)=O	176
+CC(C)(C)OC(=O)N1CCc2cc(OCCCCBr)ccc12	8
+CC(C)(C)OC(N1c2c(cc(OCCCCBr)cc2)CCC1)=O	8
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)OCCCCBr	8
+CC(C)(C)c1cc(ccc1N2CCCC2)Br	2321
+CC(C)CCCC(CCOCCCCBr)C	176
+CC(C)Oc1c(C#N)cc(-c2onc(-c3ccc(cc3Cl)OCCCCBr)n2)cc1	8
+CC1(C)CCC(Nc2cc(ccc12)OCCCCBr)=O	8
+C1CCCN1CCc2c[nH]c(c2)C(OCC)=O	1793
+FC(F)(F)COc1c(ccc(c1)C2(CCCC2)C(OCC)=O)[N+](=O)[O-]	3197
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(OCCCCBr)c3	8
+C1CCCN1c2ccc(C#N)c(Cl)c2	2321
+O=S1(=O)C2(CC(=O)N(CCCCBr)CC1)C(CCCC2)Cc3ccccc3	638
+C1(=O)CSCN1CCCCBr	638
+C1CCC(C1)(C#N)c2cc(Cl)c(cc2)Cl	3199
+c1c2c(oc1CCCCBr)cc(C(=O)O)cc2	5197
+C1CCCN1c2c3c(ccc2)c(ccc3)OC	2321
+C(Br)CCCN1C(=O)C(=O)c2c1cccc2	3200
+C1CCC(C1)(c2c3c(ccc2)cccc3)C#N	3199
+C(C12C(=O)Nc3cccc(CCC1)c23)CCCBr	5198
+c1cc(ccc1)-c2c(c3ccccc3o2)C(=O)c4ccc(cc4)OCCCCBr	8
+c1cc(ccc1)C(C)(CCCCBr)C(=O)OCC	5199
+C1CC(CCC1COCCCCBr)CN(C)C(Oc2ccc(cc2)Cl)=O	176
+c1cc(ccc1F)-n2ccc3cc(ccc23)OCCCCBr	8
+c1cc(ccc1[N+]([O-])=O)OCCCCBr	8
+c1cc(ccc1)C(=O)N2C3CCCCC3N(CCCCBr)C2=O	1794
+c1c2c(ccc1OCCCCBr)scn2	8
+c1cn(CCCCBr)cn1	541
+C(CCOCCCc1ccccn1)CCCBr	176
+C(CCOCCOc1cnccc1)CCCBr	176
+C(Br)CCCCCN(Cc1c(cccc1)OC)Cc2ccccn2	28
+c1cc(ccc1N2CCN(CC2)C(=O)C)OCCCCCCBr	8
+CC(C)(C)OC(NCCN(Cc1ccccc1OC(C)(C)C)CCCCCCBr)=O	28
+CC(C)(C)[Si](C)(C)OCCOCCCCCCBr	176
+CC(C)(C(OCC)=O)CCCCCCBr	1232
+CC(C)CCOCCCCOCCCCCCBr	176
+c1(c(OC)c(ccc1)CCCCCCBr)OC	3202
+c1cc(ccc1F)-n2ccc3cc(OCCCCCCBr)ccc23	8
+c1cc(ccc1C(OC)=O)OCCCCCCBr	8
+CC(C)(CN1C(c2[nH]c3ccccc3c2CC1C)c4c(cc(cc4F)OC5CN(C5)CCCF)F)F	28
+c1cc(ccc1F)COc2cc(F)c(N3N=NN(CCCF)C3=O)cc2	5200
+C(Sc1cccs1)CCNC(=O)C	5201
+C(OCC)(=O)C(C(OCC)=O)(NC(C)=O)CCCSCCCCCCCCCCCC	5202
+C(c1c(ccc(c1O)C=O)OCCF)CC	8
+C1CC1COc2cc3C=CN(C(=O)c3cc2)c4cc(c(N5CC6(CCN(CCF)C6)CC5)cc4)F	28
+C1CN(CCN1CCF)c2cnc([N+]([O-])=O)cc2	28
+C1CN(CCN1CCF)c2nc(C)nc(c2)Nc3sc(C(Nc4c(C)cccc4Cl)=O)cn3	28
+O=S(=O)(c1c2c(cccc2nn1C)OCCF)N=CN(C)C	8
+c1c(c(OCCF)ccc1)Br	8
+c1cc(ccc1)COC(=O)N2CC(C(C2)Nc3c(CC)nc(c(n3)CC)-c4ccc(OC)cc4Cl)OCCF	176
+C1COCCN1c2ccc3c(c2)N(C(=O)C)CC3(C)C	765
+C1CN(CCO1)c2cc(Br)c3c(nc(C)[nH]3)c2	765
+FC(F)(F)c1c(c(Cn2c3c(nc2CF)c(Br)cc(c3)N4CCOCC4)ccc1)C	765
+FC(F)(F)c1cc(N2CCOCC2)cc(Br)c1N	765
+FC(F)(F)c1c(C)c(Cn2c3cc(N4CCOCC4)cc(c3nc2C(F)F)Br)ccc1	765
+FC(F)(F)c1cc(c(C(NC2C(N3CCOCC3)CCC2)=O)c(SC)c1)OC	2322
+C1COCCC1(c2cc(F)c(c(c2)F)-c3nc(C(OC)=O)ccc3F)C#N	2323
+C1COCCC12c3ccncc3NC2=O	5203
+C1CN(CCO1)c2c(F)ncc(Br)c2	5204
+C(OCCBr)COc1ccc(C=O)c(c1)O	8
+C1COCCN1c2cc(ccc2)Br	765
+C1CN(CCO1)c2cccc(Oc3cnc(Cl)cc3)c2	765
+C1CN(CCO1)c2cc(Br)c3nc(CF)n(Cc4cccc(Cl)c4C)c3c2	765
+C1CC(CCO1)(C#N)c2nc(-c3ccccc3)cs2	5205
+C1CC(CCO1)(c2ccc(cc2)Cl)C#N	2323
+c1cc(ccc1OCC(C)CCC)C(CN2CCOCC2)NC(=O)C(C)c3ccccc3	2322
+C1COCCN1C(C)C(OCc2ccccc2)=O	5206
+c1nc(ncc1C2(CCOCC2)C#N)C	5207
+N#CCc1c(Br)cccn1	1461
+Clc1c(OC)cc(CC#N)c(Cl)c1	163
+CC(C)(C)[Si](C)(C)OC1c2c(CCC1)cnc3cc(OCc4c([N+]([O-])=O)cccc4)ccc23	22
+CC(C)C(CN1CCC(CC1)Cc2cc(c(Cl)cc2)Cl)NCc3ccccc3[N+]([O-])=O	370
+[O-][N+](=O)c1c(CSCC)cccc1	639
+c1cc(ccc1)CN2Cc3ccc(cc3C2)C(=O)OC	3203
+C(c1cccc2c1c(C)ccc2)n3c(nc4ccccc34)SCCCC(=O)OCC	505
+N(Cc1cccc2cccnc12)=[N+]=[N-]	2324
+C1(N(C(=CC(=C1Br)OCc2ccc(cc2F)F)C)Cc3cccc(CBr)c3)=O	5208
+n1(Cc2cccc(CBr)n2)nnc3c(-c4oc(cc4)C)nc(N)nc13	5209
+CC(C)(C)OC(=O)NC(c1n(ccn1)Cc2ccccc2OC)Cc3ccccc3	371
+c1c(cc(c(c1)NC=2C(=CN(C(=O)C=2F)Cc3cnccc3)C(=O)OC)F)Br	5210
+n1c(cc(COc2c(OC)cc3c(c2)ncnc3Nc4c(cc(Cl)cc4)F)cc1)Br	22
+c1cc(ccc1-c2cc(F)c(cc2)OC)C(=O)O	5211
+C1=CC(=C(C#N)C(N1CCCC)=O)Br	5212
+C1=CC(Br)=CC(N1CCCC)=O	5213
+C(C)N1C=CN=C(Br)C1=O	3204
+C(OC(CN1C=CN=C(Br)C1=O)=O)C	3204
+C1CCN(C1)c2nncc(Br)c2	2325
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3c(C)ccc(CBr)c3)n2)=O	5214
+COc1c(cc2c(nncc2Br)c1)CC	2325
+Clc1cc2c(cc1)nc(cc2Br)N	3205
+Clc1ccc2ncc([N+]([O-])=O)c(Br)c2c1F	3205
+Brc1ncc(C)cc1[N+](=O)[O-]	1462
+c1(cc(Br)[n+](c2ccccc12)[O-])[N+]([O-])=O	5215
+n12c3ccccc3nc1nc(Br)cc2	5216
+c1ccccc1-c2c(ncc([N+]([O-])=O)c2)Br	1462
+c1cc(ccc1Oc2ccc3c(Br)nc(C(OCCCC)=O)c(O)c3c2)OCCC	1462
+c1cc(ccc1Oc2ccc3c(c(nc(c3c2)Br)C(OCCCC)=O)O)F	1462
+c1ccccc1CN2Cc3ccnc(Br)c3CC2	1462
+c1cc(ccn1)-c2c(-c3cc4ccccc4cc3)nnc(c2)Br	5217
+C(Br)C=C(C[N+](=O)[O-])C	2326
+c1cccc(CCCCCCCCC)c1CBr	148
+C(Br)c1cc(c(OC)cc1F)Br	148
+C(c1ccc([N+]([O-])=O)cc1Cl)Br	148
+c1c2c(ccc1CBr)C(Cc3c(S2)cccc3)=O	148
+C(c1cc2c(cc1)cc(F)cc2)Br	148
+C(c1cc2ccc(cc2cc1)OC)Br	148
+C1CN(CCN1CC)c2c(c(Cl)ccc2)CBr	148
+C1CN(CCN1c2ccc(c(Cl)c2)CBr)CC	148
+CC(C)(C)OC(n1cnc2c(cccc12)CBr)=O	3206
+CC(C)(C)c1ccc(cc1)C=C(C)CBr	3207
+CC(C)(CCCC(CC=CC(=CCBr)C)C)OC	2326
+c1cc(ccc1CC(CBr)C)C(C)(C)CC	703
+CC(C)=CCCC(C)CC=CC(=CCBr)C	2326
+CC(C)CC(=CCCC(=CCBr)CC)C	3208
+CC(C)c1cc(cc(C(C)C)c1CBr)C(C)C	148
+CC1(C)OB(OC1(C)C)c2cc(c(F)cc2)CBr	148
+CC(CC=C(CC)C)C(CC)=CCBr	3208
+CN(C)C(c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCBr)=O	703
+O=CC=1CCc2ccc(cc2C=1Br)F	5218
+COc1cccc2nccc(Br)c12	5219
+Cc1cc(cc(C)c1Nc2sc3c(n2)cccc3CBr)C	5220
+n1c(Br)c(Cl)cc(Br)c1	3209
+Clc1cc(c(cc1)Oc2cc(ccc2OC)CC(=O)OCC)CBr	148
+Clc1cc(c(c(CBr)c1)Cl)OC	148
+Clc1cc(cc(CBr)c1)Br	148
+Clc1ccc(C=C(CCCCC)CBr)c(Cl)c1	3207
+FC(F)(F)c1c(CBr)ccc(I)c1	148
+FC(F)(F)c1c(ccc(CBr)c1)CC2CCCCC2	148
+FC(F)(F)c1cc(CBr)c(cc1)Oc2cccc(c2)C(C(=O)O)C	148
+N#Cc1cc(F)c(cc1F)CBr	148
+O(C)CCOc1cccc(CBr)c1	148
+O=S(=O)(C)CCCOc1ncc(c(C)c1)-c2ccc(F)c(c2)CBr	148
+O=S(=O)(c1ccc(c(c1)Cl)CBr)C	148
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCBr	703
+O=S(=O)(C)c1cc(Br)ccc1CBr	148
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CBr)cc1)Br)CC	148
+[N+](c1cc(CBr)cc(Br)c1)([O-])=O	148
+c1(c(cccc1)Br)C=CCBr	5221
+c1c(Cl)c(c(cc1OC)Cl)CBr	148
+c1cc(CCBr)cc2c1CCC2	703
+c1(nn2c(cc1)ncc2-c3cccc(Br)n3)N4CCCC4c5cc(ccc5)F	3209
+c12c(cc(c(c1)C)CBr)cccc2	148
+c1c(CBr)cnc2ccccc12	3206
+c1(cccc(C)c1-c2nc(c(cc2)F)CBr)C	2327
+c1(C)cc(cc(C)c1CBr)OCc2ccccc2	148
+c1c(C)nc(CBr)cc1	2327
+c1c(CCBr)cnc(c1)Br	703
+BrCc1c(Cl)cc(Cl)c(c1)OC	148
+c1c(CBr)cccc1O	148
+c1(cncc(Cl)c1CBr)Cl	148
+Fc1cc(cc(F)c1CBr)Br	148
+O(C)c1cc(cc(OC)c1OC)CCCBr	703
+c1c(OC)ccc(CBr)c1OC	148
+c1c(c(Cl)cc(c1)CBr)OCC=C	148
+c1c(cc(F)c(c1)C(Br)C)Br	2328
+c1c(cc2c(OC(CBr)=CC2=O)c1)Br	5222
+c1cc(cc(OCCC)c1OC)CBr	148
+c1cc(ccc1)C(c2ccccc2)C(=O)N3CCC(CC3)CCBr	703
+c1cc(ccc1)C=2c3ccccc3C(OC=2C(C)Br)=O	5223
+c1c(Cl)c(c(cc1OCc2ccccc2)Cl)CBr	148
+c1cc(ccc1-c2cnc(cc2)C(CC)Br)C(N)=O	5224
+c1cc(ccc1CBr)Oc2ccc(cc2)C(C(OC)=O)=Cc3cc(OC)cc(c3)OC	148
+c1cc(ccc1C(=C(CBr)C)C)C(C)(C)CC	5225
+c1cc(ccc1C(Br)C)Br	2328
+c1cc(ccc1C(C)Br)F	2328
+c1ccccc1-c2onc(c2CCC)-c3onc(-c4ccc(cc4)CCBr)n3	703
+c1cc(ccc1Cl)CCBr	703
+c1cc(ccc1CN2C(C(OC)=NN(c3ccccc3CBr)C2=O)=O)Cl	148
+c1cc(ccc1)CCC2=CC(N(CCc3ccc(cc3)CBr)C=C2)=O	148
+c1cc(ccc1CBr)CCN2C=CC(=CC2=O)OCc3c(F)cccc3	148
+c1cc(ccc1N2C=C(C(OCC)=O)C(c3cc(c(c(Cl)c23)N4CCN(CC4)c5ccccn5)F)=O)CBr	148
+c1cc(ccc1CBr)O	148
+c1cc(ccc1Cn2nc(-c3cc(ccc3)CBr)nn2)OC	148
+c1cc(ccc1OCCOC)CBr	148
+c1cc(ccc1CBr)OCCOCCOC	148
+c1cc(ccc1F)S(=O)(=O)c2c(cccc2)CBr	148
+c1cccc2CCC(CBr)Cc12	703
+c1ccccc1COC(Nc2c(CCCC)cc(cc2F)CBr)=O	148
+c1ccccc1COc2c(CBr)cc(cc2)Br	148
+c1ccccc1COc2ccc(c(Cl)c2)CBr	148
+c1ccccc1COc2cc(Cl)ccc2CBr	148
+c1ccccc1COc2cc(c(CBr)cc2)C	148
+c1ccccc1COc2ccc(Cl)c(c2)CBr	148
+n1ccnn1-c2ccccc2CBr	148
+n1(CCBr)nc(cc1CBr)[N+]([O-])=O	2327
+C1Cc2nn(cc2-c3c1c4c(ncnc4s3)Nc5cc(c(cc5)OCc6ncccc6)Cl)CCBr	5226
+Clc1ccc(-n2ncnc2)c(CBr)c1	5227
+CC(C)Cc1c(cc(Br)cc1)C#N	5228
+c1cc(c([N+](=O)[O-])c2ncccc12)C(O)c3ccc(cc3C)F	704
+CC(C)(C)OC(=O)N1CC(C(c2cc(F)c(Cl)cc2)=O)CC1	832
+c1cc(cc(OC)c1F)C(c2nc(Cl)c3c(cccc3)n2)=O	2329
+c1c(cc(C)cc1)C(=O)c2cc(ccc2)Br	705
+CC(C)(C)OC(=O)NC(C)C(c1cccc(c1)OC)=O	832
+C(c1cccc(OC)c1)(c2ccc3c(cc(CCN4C(CCC4)C)o3)c2)=O	705
+FC(F)(F)c1ccc(cc1)-c2nc(nc(C)c2)-n3cc(Br)nc3C	937
+FC(F)(F)c1cc(ccc1-c2[nH]cc(C(OC)=O)c2C)F	1072
+CC(C)Oc1c(cccc1)-c2c[nH]cn2	1234
+C[Si](C)(C)CCOCn1cnc(Br)c1	1073
+FC(F)(F)c1ccc(cc1)-c2nc(-n3cnc(c3)Br)nc(c2)C	937
+c1n(Cc2ccc3nc(SC)sc3c2)cnc1Br	2330
+FC(F)(F)c1cc(C#N)cc(Oc2c(ccc(CNC(c3[nH]cnc3Br)=O)c2F)Cl)c1	5229
+Brc1[nH]cnc1C(=O)O	1
+[O-][N+](=O)c1c(C)cc(Br)c(c1)Br	31
+C1(=O)Nc2c(c(c(Br)c(Br)c2)[N+]([O-])=O)NC1=O	31
+c1cc(ccc1-c2cscc2Br)OC	1074
+FC(F)(C(=O)OCC)c1ncc(C)cc1F	1796
+c1c(Br)c(F)ccc1OCC2CO2	267
+CC(C)(C)C(NC(=O)c1[nH]c2ccccc2c1)C(N3C4CC(C3)N(C4)C(=O)c5ccc(-c6c(F)cccn6)cn5)=O	1797
+N(C(c1c(Cl)ccc(OC)c1)=O)N(C)c2c(cnc(SC)n2)Br	1798
+Cc1ccnc(COc2cccnc2Br)c1	5230
+O(c1cccnc1Br)C	542
+c1c(F)c(c(cc1)F)C(COc2cccnc2Br)=O	5231
+c1(Cl)c(Br)cnc(C)n1	64
+c1cc(ccc1-c2cc3ccncc3nc2O)N4C(C(C)(C)OC4=O)c5ccccc5	156
+O(c1c(Br)cc(C)cn1)C	766
+O(c1cc(C)cc(Oc2c(cc(c(C)c2OC)OC)C(OC)=O)c1)C	304
+c1(cc([N+]([O-])=O)c(nc1-c2cc(F)ccc2)N)Br	119
+CC1(C)OB(OC1(C)C)c2c3c(ccc2C)cccc3	585
+c1(Cl)c2c(Br)csc2ccn1	1799
+C1CC1c2c3c(ccc2)cccc3	5232
+O=Cc1c(ccc2ccccc12)C=C	146
+c1cc(ccc1)S(=O)(=O)n2cc(Br)c3cccnc23	276
+C=1(Br)C=C(Br)C(=C=[N-])[N+](=O)C=1	5233
+COc1c2ccccc2c(cc1C=O)Br	146
+c1c(c(C)cc2n[nH]cc12)Br	3210
+c1c(-c2cccnc2)c(C)cc(c1C)N	305
+O(C(C)c1ccccc1Cl)c2cc(sc2C(=O)OC)Br	5234
+CC(C)(C)OC(c1ncc(Br)cc1[N+](=O)[O-])=O	1075
+CC(C)(C)[Si](C)(C)OCC1CCCCN1c2sc(c(Br)c2)C=O	1801
+Brc1cc(cc(Br)c1)CC#N	177
+Brc1cc(cc(Br)c1)CCl	109
+c1cc(ccn1)-c2cc(cc(Cl)c2)Br	1802
+CC1(C)c2cc(-c3cc(Br)cc(c3)Cl)ccc2-c4ccccc14	11
+n1cc(cnc1)Nc2cc(Br)cc(c2)Cl	5235
+c1(Br)cc(cc(Br)c1)NC(=S)N	401
+c1(OC)cc(cc(Br)c1)C(=O)OC	833
+Brc1cc(cc(Br)c1CO)F	41
+C1CC(=O)N(c2cc(cc(Br)c12)OC)c3c(C)ccc(c3)C(=O)OC	2331
+c1(Br)cc(cc(Br)c1COC(C)=O)F	204
+c1c(Br)c(c(cc1C=O)Br)OCc2ccc(cc2)OC	139
+c1(cc(cc(Br)c1O)C(=O)N2c3ccncc3OCC2)Br	5
+FC(F)(F)c1cc(ncc1)Nc2nc(Br)cc(C)c2	834
+c1c(C)cc(nc1-c2scnc2)Br	2332
+C1Cc2cc(cnc2NC1)-c3nccnc3	3211
+CC(C)(C)OC(N1Cc2c(CC1)sc(c2)Br)=O	23
+Nc1c2cc(Br)cnc2[nH]c1	13
+C1CN(CCO1)C(c2cccc(-c3cc4c(nc3)[nH]cc4)c2)=O	89
+O=S(=O)(CCC)Nc1ccc(F)c(c1)C(O)c2c[nH]c3c2cc(Br)cn3	1235
+c1(cc(-c2cc3cc[nH]c3nc2)ccc1)C=O	89
+c1cc(c(c(F)c1OCCOC2OCCCC2)C(O)c3c4c([nH]c3)ncc(c4)Br)F	1235
+c1ccccc1S(=O)(=O)n2ccc3c2ncc(Br)c3	276
+c1cc(ccc1Oc2c(Cl)ccc(c2)F)-c3sc(C(=O)N)cc3	3212
+Brc1ccc(C(=O)OC)s1	128
+O(C)C(c1sc(C#CCO)cc1)=O	1236
+c1c2ncn(c2ccc1)-c3ccc(s3)C(CCCC)=O	5236
+C1CN(CCC1(c2ccc(Cl)s2)O)C(OCC)=O	3213
+C1CN(CCC1NC(=O)C)c2cc(ccc2)Br	79
+C1CN(CCN1C)c2cc(ccc2)Br	79
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(c2)Br	79
+CN(C)c1ccc2c(C=CN(c3cc(Br)ccc3)C2=O)c1	2333
+C[Si](C)(C)c1cc(ccc1)Br	1803
+C1OB(OCC1)c2cc(-c3cccc(Br)c3)cnc2	5237
+c1cccc(-c2cc(ccc2)Br)c1OC	11
+c1(cccc([Mg]Br)c1)Br	5238
+c1(cc(ccc1)Br)C(c2cc(ccc2)Br)O	257
+C1CC1c2cc(c3c(c2)OCCN(C3=O)c4c(c(ccc4)Br)C=O)F	1464
+CC(C)(O)c1ccc2c(CCN(C2=O)c3cccc(Br)c3C=O)c1	1464
+O=Cc1cccc(Br)c1CC	146
+CC1(C)Cc2c(sc3C(N(CCc23)c4cccc(Br)c4COC(=O)C)=O)C1	1464
+c1(cccc(Br)n1)NCc2cc(ccc2)F	340
+c1c(nc(N2CCC(NCCCCO)CCC2)cc1)Br	323
+CC(C)(O)c1cccc(Br)n1	938
+CC(C)Oc1nc(ccc1)Br	640
+c1ccccc1COc2c3cc(ccc3ncc2)-c4nc(Br)ccc4	245
+c1c(Br)nc(C(CCCC)O)cc1	3214
+CN(C)c1cccc(n1)Br	323
+c1ccc(C)c(c1N2N=NN(C2=O)C)COc3cccc(Br)n3	640
+c1ccc(C(C)Nc2cccc(Br)n2)cc1[N+]([O-])=O	340
+c1cc(ccc1)-c2nc(Br)ccc2	119
+c1cc(ccc1-c2c(c(C)no2)Nc3nc(ccc3)Br)-c4ccc(cc4)C5(CC5)C(=O)OCC	3215
+c1ccccc1COc2cc3n(n2)CCN(C3=O)c4nc(ccc4)Br	2334
+c1cnccc1-c2nc(Br)ccc2	1238
+c1cc(ccc1-c2nc(Cc3ccccc3Br)sc2CC(O)=O)F	5239
+C1CCN(C1)c2ccccc2CC(O)=O	79
+O=C(OCC)Cc1ccccc1Br	939
+c1cc(ccc1OC)CN(c2nccs2)S(=O)(=O)c3ccc4c(OCCN4c5c(Br)cccc5)c3	2335
+c1cc(ccc1-c2c3n(ccc2)cc(C)n3)O	1805
+C1CCCC1(O)c2ccncc2Br	5240
+C1CC(CCN1CC23c4c(cccc4)C(c5c2cc(cc5)Cl)C3)(O)c6cccnc6	1239
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)NC(=O)C3CN(C3)c4cnccc4	244
+CC(C)(C)OC(N1CCN(CC1)c2cccnc2)=O	244
+CC(C)(C)OC(N1CCC2(CCCN2c3cnccc3)C1)=O	244
+CC(C)(C)OC(Nc1c(cc(cc1)-c2cnccc2)[N+]([O-])=O)=O	5241
+O(C(C)c1ccccc1Cl)c2c(C(=O)OC)sc(-c3cccnc3)c2	5242
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(C2=O)Cc3nc(ncc3)Nc4cccnc4	3216
+FC(F)(F)c1ccc(cc1)-c2cnccc2	1806
+O=S(=O)(C)c1cc(-c2cccnc2)ccc1	89
+c1(c(c(ccc1)-c2cnccc2)C)Br	89
+COc1nc2c(cc(-c3cnccc3)cc2)cc1	1806
+c1(cnccc1)-n2cc(CCC(OCC)=O)c3ccccc23	3217
+n1cc(cnc1Nc2cnccc2)[N+]([O-])=O	3216
+C1=C(CCOC1)c2cccnc2F	1076
+C1CC1c2c(nccc2)F	940
+n1cccc(c1F)-c2cc(ncc2)C	3218
+C1=CC=C(Br)C(N1CCCCCl)=O	5243
+C=1N(C(C(Br)=CC=1)=O)C	5244
+CC(C)c1ccc(cc1)-c2n(CCOC)c3c(cc(cc3OC)C(O)c4cccnc4SC)n2	5245
+N1(CCCC1=O)c2cccnc2[N+](=O)[O-]	3219
+n12CCNC(c1c(c3c2c(cc(c3)F)-c4occc4)C)=O	5246
+C1C(C)OC(CN1c2c(c(c(C#Cc3cccs3)cc2C=O)F)F)C	3220
+Brc1ccc(C(CCCC)=O)s1	1808
+c1ccc(-c2cccs2)cc1OCC	268
+c1cc(ccc1-c2sccc2)-c3nc4ccc(S(=O)(=O)C)cc4[nH]3	268
+c1cc(ccc1OCC)-c2sccc2	268
+Brc1ccn2c(c1)nc(c2)COC	5247
+Brc1ccn2c(c1)nc(CCl)c2	3221
+c1(CC(OC)=O)ccc(cc1Cl)-c2cc(ncc2)C(=O)NC	2336
+FC(F)(F)c1cc(NC(c2cc(Br)ccn2)=O)ccc1	187
+Brc1ccnc(C(=O)NC)c1	81
+c1ccccc1NC(c2nccc(Br)c2)=O	187
+c1cc(ccc1N)-c2ccnc(C)c2	2336
+c1cc(ccc1Br)C(CC(c2cc(ncc2)C)=O)c3c(cccc3)C	3222
+c1ccc(C(CC(=O)c2ccnc(C)c2)c3cccc(c3)Br)c(C)c1	3222
+C(=O)(N(OC)C)C=Cc1nccc(Br)c1	3223
+C(NC=O)c1nccc(Br)c1	707
+C(Oc1nccc(Br)c1)CCF	430
+n1cccnc1-c2c(C(N3CC(CCC3C)Oc4cc(Br)ccn4)=O)ccs2	430
+CC1(C)OB(OC1(C)C)c2cc(NC(C)=O)ncc2	1809
+C1=CC(Br)=CC(N1CCO)=O	5248
+CC(C)(C)OC(C(C)N1C=CC(Br)=CC1=O)=O	5249
+CC(C)c1ccc(cc1C)NC(c2cc(Br)ccn2)=O	2337
+c1ccccc1CN(C)c2cc(ncc2)C(OC)=O	1465
+OB(O)c1ccnc2[nH]c(C)cc12	3224
+CC(C)(C)C1OCC=2c3c(C(OC=2C1)=O)scc3	5250
+CC(C)(C)[SiH2]OC(C)(C)C1N(CCC1)c2cc(cnc2)Br	244
+CC(C)(c1cc(cnc1)Br)O	1239
+CC(C)Oc1cncc(Br)c1	1810
+n1cc(cc(-c2cc3CC(N(c3cc2)C)=O)c1)Br	156
+n1cc(cc(c1)-c2c(c3c(cc2)N(C(C3)=O)C)Cl)Br	156
+n1cc(Br)cc(OC)c1	1810
+c1ccc(cc1C#Cc2cncc(Br)c2)OC	1240
+Brc1c[n+](cc(Br)c1)[O-]	341
+c1ccc(cc1[N+]([O-])=O)C=Cc2cncc(Br)c2	1807
+c1ccccc1COc2cncc(c2)Br	1810
+CC(C)c1ccc(cc1)-c2cncc(Br)c2	89
+c1(Br)cncc(NCc2ccccc2O)n1	941
+FC(F)(F)c1ccnc(n1)Nc2cc(-c3scnc3)cc(Br)c2	836
+c1c(N)cc(-c2n3c(nc2)cc(C)cc3)cc1	3225
+CC(C)(C)[Si](C)(C)OCc1ccn2c(ncc2Br)n1	19
+CC1CCCC(C)N1C(=O)c2csc(n2)Br	837
+C(O)(Cn1c(c(nc1Br)Br)Br)=O	4
+CC(C)Nc1c([N+]([O-])=O)cc(c(CC)n1)Br	340
+CC(C)(C)OC(N1CCCN(c2c3c(cc(Br)n2)cccc3)CC1)=O	323
+CC(C)(C)OC(=O)N1CCC(CC1)(c2nc(cs2)Br)O	5251
+c1(F)cc(cc(F)c1-c2scc(C(=O)OC)n2)OC	1241
+C1(CN(CCC1)c2nc3c(n2Cc4c(F)cccc4Cl)C(N(C(=O)N3C)C)=O)C(=O)OCC	1811
+FC(F)(F)c1cc(c(c(F)c1)[N+](=O)[O-])-n2c(nc(c2)C)Br	431
+Nc1cc(C)cnc1Br	13
+N#Cc1ncc(C)cc1[N+](=O)[O-]	942
+c12[nH]nc(c1cc(Br)nc2)C	5252
+c1c(I)cc(c(Nc2c(cc(Br)nc2)C(=O)O)c1)F	5253
+c1nc(Br)cc(c1F)-c2n(C)c3ccccc3n2	3226
+Nc1c(NC)cc(Br)nc1	13
+BrCc1ccnc(Br)c1	29
+C1CN(CCN1C(NC2CCCCC(Oc3nccc(C)c3)C2)=O)c4ccnc5cc(Cl)ccc45	640
+c1cnc(cc1C)-n2c3c(c4c2cc(cc4)OC)cccc3	5254
+CC(C)(C)OC(N1C(CC(C1)F)C(NCc2ccnc(Br)c2)=O)=O	9
+O=S(=O)(C)OCc1ccnc(Br)c1	7
+C1CC1COc2ccnc(Br)c2	8
+c1cc(ccc1C#Cc2c([N+]([O-])=O)cccn2)CCC(=O)OC	943
+C(O)CN(C)c1nccs1	641
+C1CC1C(c2sccn2)O	5255
+c1cc(ccc1F)-c2sccn2	1241
+C1CN(CCC1Oc2sc3cc(ccc3n2)Br)c4nnc(C)s4	2339
+C(OCC)(Cc1cccc(NC(c2oc(Br)cc2)=O)c1)=O	768
+Brc1oc(cc1)C(Nc2cccc(c2)CC(OC)=O)=O	768
+Brc1oc(cc1)C(CC#N)=O	5256
+CSC(SC)=C(C(c1ccc(o1)Br)=O)C#N	5257
+c1cc(ccc1C)-c2oc(cc2)C(=O)Nc3cc(CC(OC)=O)ccc3	1242
+Brc1sc(-c2nc(ncc2)S(=O)C)cc1	172
+CC1(C)CC(CC(C)(C)N1)Nc2nccc(n2)-c3sc(cc3)Br	306
+c1(cc2ncn(-c3sc(c(Br)n3)C(OC)=O)c2cc1OC)OC	5258
+c1cc(ccc1Cl)-c2sc(C)cc2	268
+C(C)N(CC)c1ccc(C=O)s1	1801
+CC(C)CNCc1ccc(Br)s1	1466
+c1cc(ccc1-c2cc(F)c(-c3sc(C=O)cc3)cc2)CC	268
+c1cc(ccc1-c2ccc(C=O)s2)CO	268
+c1cc(ccc1Sc2sc(C=O)cc2)Cl	5259
+c1cc(c(-c2sc(CC(OC)=O)cc2)cc1)N	268
+O=S(=O)(c1cccc(Cl)c1)NCc2ccc(Br)s2	71
+N#Cc1c(C)nc(Br)s1	1812
+c1ccccc1CNC(c2sc(Br)nc2C)=O	454
+c1ccccc1N(Cc2c3c(nc(c2)O)cccc3)C(c4c(nc(s4)Br)C)=O	3227
+c1cc(ccc1-c2ccc(CCCCC)s2)OC	268
+C12CCC(O)(CC1CCCC2)C#C	2340
+CC(C)(C)[Si](C)(C)OCCCCCCCCCCCCC#C	5260
+C(C(C)(O)CCCC(C)CCC)#C	2340
+Nc1c(cc(F)cn1)C#CC	2341
+c1(c(c(Cl)ccc1CNC(c2[nH]cnc2Cl)=O)Oc3cc(cc(C#N)c3)C#CC)F	197
+c1cc(ccc1OC)Cn2cnc3c2nc(C#CC)nc3Cl	1467
+FC(F)(F)c1ccc(c(NC(=O)Nc2cccc(C#CC(N)=O)c2)c1)F	5261
+C(OCC)(c1ccc(nc1CC(=O)OCC)O)=O	5262
+CC(C)(C)OC(=O)Nc1cc(C)c(CNC(=O)C#C)c(C)n1	5263
+c1cc(ccc1Oc2ccccc2)-c3c(ncnc3N)NC4CC5(C4)CN(C5)C(=O)C#C	5264
+c1(C(O)C#CC(OC)=O)cc2c(OCO2)cc1	5265
+CC(C)(C)[Si](C)(C)OCc1cc2n(cc1)ncc2C(OC)=O	2343
+c1c(Br)nc(Cn2nncc2C(=O)OC)cc1	5266
+c1cc(ccc1C(C2=C(N(C(C=C2)=O)c3c(F)cc(cc3F)Br)N)=O)F	5267
+c1ccccc1COc2cc(Cl)cn3c2c(C(=O)OC)cn3	2343
+c1cc(ccc1-c2noc(C(=O)OC)c2)Oc3c(ccc(F)c3)Br	3228
+c1c(F)cc(cc1Nc2c(C(=O)NC(C#C)(C)CC)cccn2)F	3229
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CCCC(C2)C(NC(C#C)CC(OCC)=O)=O)=O)=O	5268
+c1cc(ccc1Oc2sc(cn2)C#CC(NC(C)=O)C)S(=O)(=O)N(C(C)C)C	3230
+FC(F)(F)c1c(cc2cc(C(CSCC)(C)O)n(c2c1)S(=O)(=O)C)C#N	3231
+FC(F)(F)c1ccc(cc1)-c2noc(C(=O)OCC)c2	3228
+CCOC(c1c2n(nc1)ccc3OCCc23)=O	2343
+n1c(C(=O)OCC)cn(n1)-c2ccc(C(NCC)=O)cc2O	3232
+n1c2c(ccc(-n3cc(nn3)C(=O)OCC)c2)n(CC)c1Cn4ccnc4-c5cc(ccc5F)F	3232
+c1c(Cl)c(c(cc1Cn2cc(C(=O)OCC)nn2)Cl)Cl	2342
+c1c(c(cc(-c2noc(C(=O)OCC)c2)c1)C)OCOC	5269
+n1n2c(Cl)cccc2c(c1-c3occc3)C(=O)C#C	2344
+C1(N(CCC1(O)C#Cc2ccnc(-n3nc(C(=O)N)c4cc(OC)ccc34)c2)C)=O	1243
+C1(N(CCC1(O)C#Cc2cccc(-n3nc(C(=O)OC)c4cc(C#N)ccc34)c2)C)=O	197
+C1(N(CCC1(O)C#Cc2ccnc(-n3c4cccc(F)c4c(C(=O)OC)n3)c2)C)=O	1243
+c1(C#CC2C(CO)C2)cc3c(cc(cc3)C(O)=O)cc1	197
+c1cc(ccc1C#CC#CC2CC2CO)C(=O)O	5270
+c1(c(OCc2ccc(nc2)OC)ccc(c1)Cn3cnc4cc(-n5nnc(C6CCCNC6)c5)ccc34)OC	5271
+CC(C)(C)OC(N1CCc2c(nc3ccnn3c2N4CC(C4)C(N5CC(C#C)CC5)=O)CC1)=O	10
+C(CN(CCCCO)CCCCCCCCCCCCCCCCCC)#C	1813
+c1cc(cc(c1OCC#C)OC)CCC(OCC)=O	476
+C(COCC#C)OCCOCCOCCO	1244
+C(c1c(OCC#C)cccc1F)CC	476
+C1CN(CCN1CC)CC#C	1813
+C1CN(CCN1c2c(F)cc(F)cc2)CC#C	1813
+CC(C)(C)C(Nc1cc(F)cc(OCC#C)c1C(=O)OC)=O	476
+CC(C)(C)OC(NC1C(=O)N(CC#C)c2c(OC1c3ccccc3)cccc2)=O	5272
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCC#C)=O	476
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c(N)nc3cc(OCC#C)ccc3c12	476
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(c(C)c2)C3=C(OC)CC(CC#C)C3=O	3233
+CCC(c1ccc(OCC#C)cc1O)=O	476
+CCCC(O)(CC#C)CCCC	2345
+C#CCC(CCCC)(CF)O	2345
+Cc1nnc(c2ccc(OCC#C)cc12)Cl	476
+FC(F)(F)C=1N(C)C(C(c2c(cc(c(c2)OCC#C)Cl)F)=NC=1)=O	476
+FC(F)(F)c1nc(Cl)sc1C(=O)OCC#C	5273
+FC(F)(F)c1c(c(N2CC(CC2)OCC#C)ccc1)CN3CCN(CC3)C(=O)OC(C)(C)C	1244
+FC(F)C(CCCC)(CC#C)O	2345
+c1c(F)c(c(cc1C(OC)=O)F)OCC#C	476
+Nc1c(N2N=NN(CCCF)C2=O)c(cc(Cl)c1OCC#C)F	476
+O=S(=O)(CC)NC(C(=O)NC1C(c2ccc(OCC#C)c(OC)c2)CCCC1)C(C)C	476
+O=C(c1c(cccc1)SCC#C)O	5274
+c12n(CCOCC#C)c(nc1cnc3ccccc23)CCOC	1244
+c12cc(OCC#C)ccc1[nH]cc2	476
+c1cc(ccc1-c2cc(c(C=3C(C(CC=3OC)CC#C)=O)c(F)c2)Cl)Cl	3233
+c1cc(ccc1Cl)Oc2ccc(C(Cn3cncn3)(OCC#C)CC)c(Cl)c2	1244
+c1cc(ccc1-c2oc3c(cccc3)n2)OCC#C	476
+c1ccc(OCC#C)cc1C(=O)OC	476
+c1cc2c(CN(CC2)CC#C)cc1	1813
+c1ccccc1COC(NC(Cn2c3cc(ccc3cn2)OCC#C)C)=O	476
+C[Si](C)(C)OC(CF)(CC#C)CCCC	19
+CC(C)(C)OC(NC1(C(=O)N(C)CC1)CC#C)=O	1245
+COCCC(CCOC)(CNC(OCC1c2ccccc2-c3ccccc13)=O)NCCCC#C	110
+c12c(N)nc(C#CCCCC)nc1n(C3C(O)C(C(CO)O3)O)c(NCC)n2	1467
+C1CN(CCC1)CCCC#C	53
+FC(F)(F)C(Nc1ccc(cc1)C#CCCCCl)=O	121
+C1c2c(CC1Nc3ncc4c(n3)CCN(C(CNCCCC#C)=O)C4)cccc2	402
+CC(C)(C)OC(=O)NCCCC#C	37
+FC(F)(F)C(=O)NC(C(=O)NCCCC#C)CC	9
+c1cc(ccc1C(c2ccc(cc2)C#CCCCO)=C3CCCCCC3)O	197
+C1CN(CCO1)Cc2cc3c(c(C#CCCCO)c2)N(C=C(C3=O)C(=O)NCc4ccc(cc4)Cl)C	121
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(=O)OCCCC#C)cccc2	1468
+CC(C)N(C(C)C)CC#CCCCO	1469
+CC(C)(C)OC(N(C)C1CCC(c2ccc(cc12)C#CCCCO)c3ccc(c(Cl)c3)Cl)=O	121
+CC(C)(C)[Si](C)(C)OCCCC#C	19
+FC(F)(F)C(=O)N(c1ccc(cc1)C#CCCCO)C	121
+FC(F)(F)C(=O)NCCC(c1cc(C#CCCCO)ccc1)O	197
+FC(F)(F)Oc1ccc(cc1)C#CCCCO	121
+FC(F)(F)Oc1cc(c(C#CCCCO)cc1)I	5275
+FC(F)(F)Oc1cccc(C#CCCCO)c1	121
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCO	2346
+FC(F)(F)c1ccc(cc1)-c2c3c(sn2)cc(C#CCCCO)cc3	2346
+FC(F)(F)c1ccc(cc1)C#CCCCO	121
+c1ccccc1-c2ccc(cc2)C#CCCCO	197
+C(CCO)C#Cc1ccccn1	769
+CC(C)(C)C(=O)NCCC#C	68
+O=S(=O)(Cc1ccc(c(c1)Cl)Cl)NCCC#C	111
+c1c(oc2c1cc(cc2)C(N(OC)C)=O)CCN3CCCC3C	1246
+c1cc(ccc1-c2ccc3oc(CCN4C(C)CCC4)cc3c2)C#N	1246
+CC(C)(C)OC(c1ccc(cc1)C#CCCO)=O	121
+Clc1ccc(C#CCCO)c(Cl)c1	121
+C=1C(Oc2c(ccc(C#CCCO)c2)C=1)=O	1247
+c1cc(ccc1Cl)-c2nsc3cc(C#CCCO)ccc23	2346
+FC(F)(F)c1cc(ccc1-c2cc(CCO)on2)Br	1814
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(-n4nnc(CCO)c4)c3)ccc1F)F	5276
+c1c(oc2c1cc(-c3n4c(ccn4)nc5c3CCC5)cc2)CCO	1246
+C(C#Cc1cccc(CF)n1)CO	769
+C(C#Cc1cccc(OC(C)=O)c1)CO	121
+C(C#Cc1cc(Br)c(Cl)cc1)CO	121
+C(C#Cc1cc(C)c(cc1)OC)CO	197
+c1cc(ccc1-c2ccc3oc(cc3c2)CCO)C#N	1246
+c1cc(ccc1C#CCCO)-c2cn3c(cc(C)cc3)n2	197
+c1cc(ccc1CC(=O)OC)C#CCCO	121
+c1cc(ccc1C#CCCO)OCCCN2CCCCCC2	121
+c1cc(ccc1C(=COC(F)F)C(NCCc2cc(OC)c(OCC#C)cc2)=O)Cl	5277
+N(C)C(c1nn(C2CCCCO2)c3cc(ccc13)Nc4ccccc4C(NCC#C)=O)=O	1815
+CC(C)c1n(Cc2ccccc2)c3cc(C(NCC#C)=O)ccc3c1C(=O)NCc4cc(F)c(cc4)F	1815
+FC(F)(F)c1cccc(C(=O)NCC#C)c1	5278
+c1c(c(ccc1OC)CNCC#C)OC	5279
+c1cc(ccc1)COc2cc(cc(c2Br)OC)C(NCC#C)=O	1815
+FC(F)(F)C1(ON=C(c2sc(C(=O)NCC(=O)NCC#C)c3CCCc23)C1)c4cc(Cl)c(c(Cl)c4)F	1816
+C(C)N(CC)CC#CCO	1469
+C(CCOCC#C)CCCCBr	3201
+C12CC3CC(C1)CC(C2)(C3)CNC(c4c(cnc(c4)C#CCO)Cl)=O	769
+CC(C)(C)C(Nc1nc(Cl)ncc1F)Cn2cc(nn2)CO	642
+CC(C)(C)N1c2c(C(C(C(NCc3ccc(cc3)Cl)=O)=C1)=O)cc(cc2)C#CCO	121
+CC(C)(C)OC(N(c1ccc(cc1)C#CCO)C)=O	121
+CC1(C)Cc2c3N1C=C(C(=O)OCC)C(=O)c3cc(c2)C#CCO	197
+CCC(=O)N(Cc1cccc(C#CCO)c1)c2cc(-c3[nH]nnn3)ccc2	121
+Cc1n(C2CCCCO2)nc-3c1C(N(c4ccc(C#CCO)cc-34)CC)=O	121
+Clc1c(F)c(C#CCO)ccc1	121
+Clc1cc2oc(CO)cc2c(Cl)c1	1246
+C#CCOc1cnc(c(C)n1)C(=O)OC	5280
+FC(F)(F)c1ccc(cc1)-c2noc(CO)c2	2347
+c1cccc(c1-c2noc(c2)CO)F	1814
+O(c1c(OCC#C)ncnc1)C	1470
+O=S(=O)(c1cc(ccc1)Cl)Nc2cc(nc3sc(c(c23)-c4cccc(c4)OC)C#CCO)C	1236
+c1(nc(-c2nc(CCC)ccc2)nc(c1)C)OCC#C	1470
+c1(C)nc(-c2cccc(n2)C#CCO)cc(OC)c1	769
+C(C#N)Cc1ccsc1C#CCO	1236
+c12oc(-c3cn4nc(sc4n3)OC)cc1c(OCC#C)cc(OC)c2	5281
+C1CCCC(n2c3ccc(C#CCO)cc3cn2)O1	197
+c1c2c(c[nH]c2ccc1)CC(CO)NC(c3cc(cc4c3OCCCC4)C#CCO)=O	197
+o1nc(-c2c(F)ccc(F)c2Cl)cc1CO	1814
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)C#CCO)cnc23	197
+c1cc(ccc1B(O)O)C#CCO	121
+c1cc(ccc1C#CCO)C(OC)=O	121
+c1cc(ccc1CNC(=O)c2cnc3c(OC)cc(C#CCO)cc3c2O)Cl	121
+c1cc(ccc1CNC(c2cnc3ccc(C#CCO)cc3c2O)=O)Cl	121
+c1cc(ccc1Cl)CNC(=O)C2=CN(c3c(cc(C#CCO)c(OC)n3)C2=O)C	2341
+c1cc(ccc1Cl)CNC(C=2C(c3cc(C#CCO)cc4OCCN(c34)C=2)=O)=O	121
+c1cc(ccc1Cl)CNC(C=2C(=O)c3cc(C#CCO)cc4N(C(=O)CN(C=2)c34)C)=O	121
+o1c2cccc(C#CCOC)c2c(C)c1C(=O)OCC	5282
+COCC#Cc1c2OCOc2c(N)c(Cl)c1	121
+Nc1c(cc(C#CCOC)cc1)F	121
+c1cc(ccc1Cl)-c2c(C#CCOC)ncc(C(=O)NC3CCCCC3O)c2	2348
+C#CCOc1cnc(c(C)n1)C(=O)O	1
+C1CC1C(C2CC2)(C#C)O	5283
+CC(C)(C)c1cc(cc(c1N(C)C)Cl)C(O)C#C	1471
+CC(C)(C)c1c(ccc(c1)C(C#C)O)N2CCCCC2	1471
+CC(C)(C)c1c(ccc(c1)C(C#C)O)N2CCCC2	1471
+CC1(C)CCC(C)(C)c2cc(C(O)C#C)cc(c12)OCCOCC	1471
+c1c(Cl)cc(cc1C#C)Cl	5284
+Clc1cccc(c1)-c2c(C(C#C)O)c3n(n2)cncc3	1817
+c1cc2n(c(c1)Cl)nc(c2C(O)C#C)-c3cccc(c3)C	1817
+C#CC(c1c2n(nc1-c3occc3)c(Cl)ccc2)O	1817
+C1CN(CCO1)CCNc2ncc(cn2)C#Cc3c(ncc(N)c3)C	1472
+C#Cc1c(N)c(c2n[nH]cc2c1)C(=O)O	1
+c1(c(nccc1C(OC)=O)C#Cc2n(nc3c2ccc(OC)c3)C)N	2349
+FC(F)(F)c1ccc(cc1)C#Cc2c(c(c(N)nc2)C#N)C	129
+o1nc(cc1-c2cc(Cl)c(nc2)SC)CC	5285
+c1(OC)cc2c(C#Cc3c(ncc(c3)Cl)N)cn(c2cc1OC)C	5286
+C(C)c1ccc(c(c1)F)C#N	1818
+c1cc(ccc1Cl)-c2cc(C(=O)OC)cnc2C#Cc3ccccn3	2351
+c1cc(ccc1N)C#Cc2ncccc2	129
+c1(ncc(c(C#Cc2ccccn2)c1)-c3cncc(c3)C=4OC(NN=4)=O)NC(NCC)=O	3234
+C1CC1NC(C=2C(c3cccnc3N(c4cccc(C#Cc5cccnc5)c4)N=2)=O)=O	455
+C1CN(CCO1)Cc2cc3C(C(=CN(C)c3c(C#Cc4cccnc4)c2)C(=O)NCc5ccc(cc5)Cl)=O	129
+N#Cc1c(c2c(sc(C#Cc3cccnc3)c2)nc1)Nc4cc(c(Cl)cc4Cl)OC	5287
+c12ccc(cc1[nH]c(c2)-c3cnccc3)F	5288
+n1c(-c2cccnc2N)c[nH]n1	3235
+c1cc(ccc1Oc2cccc(F)c2)Cc3cc(-c4cccnc4N)on3	1248
+c1cc(ccc1Cc2noc(c2)-c3c(nccc3)N)COc4nccc(c4)F	1248
+c1ccccc1COc2ccc(cc2)Cc3cc(-c4cccnc4N)on3	1248
+c1cc(ccc1OC)Cn2nnc(c2)-c3cc(Br)ncc3	2352
+FC(F)(F)c1nc2n(nc(C#Cc3n(cc(N4CCCC4=O)n3)C)cc2)c1C	2353
+FC(F)(F)c1c(CN2CCN(CC2)C)ccc(C(Nc3ccc(c(C#Cc4n5ncccc5nc4)c3)C)=O)c1	129
+FC(F)(F)c1cc(NC(=O)c2cc(c(cc2)C)C#Cc3n4ncccc4nc3)ccc1CN5CCN(CC5)CCO	129
+C1OC(OCCCCC#CCCCCCCCC#C)CCC1	2354
+C1CCCCC1Oc2ccc(cc2)Cc3noc(c3)-c4ccc(N)nc4N	1248
+c1cc(ccc1CCc2ccccn2)Cc3noc(-c4ccc(N)nc4N)c3	1248
+c1ccccc1COc2ccc(cc2)Cc3noc(c3)-c4ccc(N)nc4N	1248
+n1n(c(c(C#Cc2cnn3c2c(OC)cc(-c4cnn(C)c4)c3)c1)C)-c5ncccc5	1249
+c1cc(ccc1OC)CNc2ncc3c(c(ncn3)Nc4ccc(Cl)c(c4)C#C)c2	182
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(ncnc2cn1)Nc3ccc(Cl)c(c3)C#C	142
+c1c(C#Cc2c(cccc2)CC#N)cc3C(c4c(-c3c1)ccc(C#N)c4)=O	455
+n1c(C#N)c(Cl)cc(c1)C#Cc2ccc(OC)cc2C	5289
+FC(F)(F)c1cnc(nc1C#Cc2ccc(F)cc2CC(N)=O)Nc3ccc(cc3)C4CCN(CC4)C(=O)OC(C)(C)C	838
+CC(C)(C)[Si](C)(C)OCCc1noc(c1)-c2cnc(Nc3cccc(F)c3)nc2NCCC	5290
+C(#CC(=O)Nc1cc2c(ncnc2cc1)Nc3cc(ccc3)Br)C(C)(CCOC)N	2355
+C(#CC)C1N(C(CCl)=O)C(CC1)C#N	143
+C1CCCC1(CO)NCC(N2C(C#N)CCC2C#CC)=O	402
+C(C#CCCC(OC)=O)CC(O)=O	4
+O=Cc1c(OC)cc(OC)c(c1)C#Cc2ccccc2NC(=O)C	26
+c1cc(ccc1S(=O)(=O)N)C(=O)C=Cc2c(cc(c(c2)C#Cc3c(N)cccc3)OC)OC	307
+O=S(=O)(c1ccc(cc1)C(C=Cc2c(cc(c(c2)C#Cc3c(N)cccc3)OC)OC)=O)NCC(=O)O	307
+c1cc(ccc1S(=O)(=O)NCCCn2cncc2)C(C=Cc3c(cc(c(c3)C#Cc4c(N)cccc4)OC)OC)=O	307
+c1cc(ccc1S(=O)(=O)Nc2ncccc2)C(=O)C=Cc3c(cc(c(c3)C#Cc4c(N)cccc4)OC)OC	307
+C1CC(CCO1)Nc2cc(ccc2C#N)-n3c(c(C#N)c(n3)C)N	3238
+Cc1c(C#N)c(n(-c2ccc(cc2F)OC)n1)N	3238
+c1c(OC)c(cc(c1)-c2c(c(n(CCO)n2)N)C#N)OCC	2356
+C(#N)C(C#N)=C1N(CCN1CCCO)CCN2C(CCC2)C	28
+c1cc(ccc1OC2CCCC2O)-c3c(c(nc(c3C#N)N)S)C#N	3239
+C(#N)C(C#N)=C(c1ccc(c(OCC)c1)OC)OC	3240
+FC(F)(F)c1c(c(ccc1)CN2C(N(c3ccc4N(C(=O)N(c4c3)C)C)C=C(C#N)C2=O)=O)C	1819
+c1(OCOC)ccccc1-c2cc(c(c(n2)N)C#N)-c3ccccc3C(=O)OC	5291
+N#CC(C#N)=C(SC)Nc1cc(ccc1)Cl	5292
+N#CC(C#N)=Cc1ccc(cc1Cl)Cl	1250
+FC(F)(F)Oc1ccc(cc1)C=C(C#N)C#N	1250
+FC(F)(F)c1c(C)c(CC(C#N)C#N)ccc1	5293
+N#CC(C#N)=Cc1cc(Br)c(c(OC)c1)OC	1250
+c1cc(O)c2ccc3c(OC(N)=C(C#N)C3c4cc(c(c(c4)OC)OC)Br)c2c1	5294
+c1c2C(c3cc(c(c(c3)OC)OC)Br)C(C#N)=C(N)Oc2c4c(ccc(N)n4)c1	5295
+c1(C)cncc(C)c1-c2c(C)cc(cc2C)C(C#N)C#N	5296
+C(#N)C(C#N)C(=O)c1ccc(OC)c(OCC)c1	5297
+c1ccccc1-c2nn(c3OC(N)=C(C(c4ccc(cc4)OC)c23)C#N)C	5298
+c1cc(ccc1-c2c3c(n(n2)-c4ccccc4)OC(N)=C(C3c5ccccc5)C#N)OC	5299
+c1cc(ccc1O)C=C(C#N)C#N	1250
+c1cc(ccc1C=C(C#N)C#N)OC2CCOC2	1250
+C(#N)C(C#N)=Cc1ccc(cc1)OC2CCCC2O	1250
+C(C(CCCC)CC(CC(CC)CCCC)=O)C	5300
+FC(F)(F)Oc1c(cc(cc1)Br)C(=O)NC(Cc2c[nH]c3c2cccc3)CC#N	14
+C(C(O)c1cc(ccc1)O)CN	51
+c1ccccc1COc2c([N+]([O-])=O)cc(OCC#N)cc2	22
+c1c2c3CN(C)CCc3n(CCN)c2ccc1C	51
+c1(ccc2c(n(cc2)CC#N)c1)N3C(c4cc(OC)ccc4C3)=O	1473
+C(#N)Cn1c2c(ccc(N)c2)cc1	0
+c1(C(=O)Cl)[nH]c(C#N)c(c1Cl)Cl	1077
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(C#N)c(C(CCC)=O)nc3CCC)=O	371
+CC1(C)C(C)(C)OB(O1)c2cc(-c3c(cccc3)C#N)cc(c2)F	17
+n1[nH]c(nn1)-c2c(cccc2)-c3cc(N)c(cc3)-n4cccn4	2357
+C(#N)c1c(-c2cc(Br)cc(F)c2)cccc1	1078
+C(#N)c1c(cccc1)-c2cc(ccc2)NC3=C([N+]([O-])=O)C(=O)N(C)C=C3	5301
+C(#N)c1c(-c2cc(O)ccc2)cccc1	477
+FC(F)(F)S(=O)(=O)Oc1cc(-c2c(C#N)cccc2)ccc1	166
+C(#N)c1c(-c2ccc(cc2C)CC(C(OCC)=O)C(CCC)=O)cccc1	1251
+C1COC2(O1)CCC(CC2)N3C(=O)C(Cc4sc(cc4)-c5c(C#N)cccc5)=C(CCC)n6c3ncn6	3241
+C1COC2(O1)CCC(CC2)N3C(C(=C(CCC)n4nccc34)Cc5cc(c(-c6ccccc6C#N)cc5)C)=O	3242
+C(=O)c1c(cccc1)C=2CCCCC=2	3243
+NC(=O)c1c(ccc(F)c1N)F	1079
+C(#N)c1c(-c2cc(N)cc(F)c2)cccc1	0
+C(#N)c1c(cccc1)-c2cc(ccc2)NC3=C(C(=O)N(C)C=C3)N	3244
+c1(I)ccc(C(=O)O)c2ccccc12	944
+CC(C)(C)[Si](C)(C)OC1C(C(Nc2c3c(cccc3)c(C#N)cc2)=O)N(CC1)C(=O)OC(C)(C)C	33
+C(#N)c1c2c(c(I)cc1)cccc2	1252
+c1cc(ccc1C#N)C(=O)NNC(=O)C(C(O)C)Nc2ccc(c3ccccc23)C#N	708
+c1cc(C#N)c2c(cccc2)c1CBr	29
+NC(=S)c1cc(c2sccc2c1)O	5302
+C(#N)c1c2ccccc2c(NC(C(C)O)C(O)=O)cc1	945
+C(#N)c1ccccc1-c2cc(ccc2F)Br	1078
+C(#N)c1ccccc1-c2c(ccc(N)c2)F	0
+CC1(C)OB(OC1(C)C)c2ccc(c(-c3c(C#N)cccc3)c2)F	17
+C1CN(CCC1Oc2cc(ccc2Br)F)c3nnc(C#N)s3	2339
+O=S(=O)(c1ccc(c(Cl)c1C=2CC(ON=2)C)C(=O)OC)C	1820
+CC(C)(C)OC(=O)NC(CC=C)c1cccc(-c2n(ncc2NC(C(C=C)C)=O)C)n1	3245
+CC(C)(C)OC(NC(c1ccnc(-c2c(cnn2C(F)F)NC(C(C=C)C)=O)c1)CC=C)=O	3245
+c1ccccc1-c2nc3CCCN(CCCC=CCC(=O)OC)c3nc2-c4ccccc4	5303
+c1cc(ccc1)C(CO)NC(C(CC=C)C)=O	9
+c1ccccc1C(NC(C(C)CC=C)=O)COC(C(C)CC=C)=O	27
+C(CC)C(CCC)C(NC(C(OC)=O)CC=C)=O	188
+CC(C)(C)OC(=O)N(C)C(CC=C)C	23
+CC(C)(C)OC(NC(C(=O)O)CC=C)=O	403
+Clc1cccc(Cl)c1C(=O)NC(CC=C)C(O)=O	946
+CC(C)(C)[Si](C)(C)OC1CC(C(=C1)CC=C)=O	947
+C(CCC=C)(=O)CCCCl	5304
+O=Cc1cc(cc(c1OCCC=C)F)Br	3246
+c1cc(ccc1OCCC=C)C#N	3246
+c1cc(ccc1)-c2c(nc3CCCN(c3n2)CCCC=C)-c4ccccc4	1821
+C(=C)CCCn1c2c(cccc2C=C)cc1	339
+C1N(CCCC=C)C(=O)CCCCC1	638
+CC(C)(C)OC(C(CN(S(=O)(=O)c1c(cccc1)[N+](=O)[O-])CCCC=C)C(=O)OC)=O	831
+c1cc(ccc1)C(c2ccccc2)(C(CCCC=C)O)CC(C)N(C)C	5305
+c1nc2N(C(N(C(=O)c2n1C)CCCC=C)=O)C	1474
+c1(cc2c(O)nc(nc2cc1)CCCC)-c3nnn(n3)CCCC=C	3247
+C(OC)(=O)C(C(C)O)CCCC=C	770
+C1(N(CCCCC=C)C(C(=CN1C)C)=O)=O	5306
+CC(C)(C)OC(=O)N1CCc2cc(OCCCCN(C)CC=C)ccc12	5307
+c1cc(ccc1)C(=O)N(CCC=C)C	115
+C(O)(CCC=C)c1cc2c(c(c1C=C)F)n(cc2)C	5308
+c1ccccc1CCCCOCCC(O)CCC=C	5309
+OC(CCc1ncsc1)CO	3248
+Cc1c2c(c(OCC=C)cc1)c(c(c(n2)O)C)C	3249
+FC(F)(F)c1cccc(C2N(C(=O)C(CC=C)C2)c3ccc(cc3)Oc4ccc(cc4)Cl)c1	5310
+c1c(c(c(c(C(C)=O)c1)C)C)OCC=C	3249
+O=C(N(CC=C)C1C(C(C(O)C(O1)CO)O)O)NCCCl	5311
+CC1(C2CN(C(=O)C12)CC=C)c3cc([N+]([O-])=O)ccc3	5312
+O=S(=O)(c1c(c(c(C(O)=O)cc1)C)NCC=C)C	5313
+CCCCCCCCCCCCNc1c2c(nc(NCC=C)n1)ccc(c2)[N+](=O)[O-]	5314
+c1ccccc1COC(NCCCCCCCC(NCC=C)=O)=O	1475
+CC(C)NC(N1CCN(C(=O)C1)CC=C)=O	5315
+CC(C)(C)OC(N1c2c(cc(cc2)OCCCCN(C)CC=C)CCC1)=O	1822
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(CC2CCC(CC2)CCCCCN(CC=C)C)C	1822
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c3C=CN(C(c3ccc2C)=O)C(CN(C)CC=C)C	5316
+C1CCCC=C1CCC(OCC=C)=O	5317
+CC(C)(C)OC(NC(CCc1ccccc1)C(=O)OCC=C)=O	5318
+[O-][N+](=O)C([N+]([O-])=O)(C)COCC=C	5319
+c1cc(ccc1C2=NOC(C2)CO)Br	1820
+c1cc(ncc1Br)C2=NOC(CO)C2	5320
+c1cc(ccc1)Cn2cc(c3ccccc23)C=NOCC=C	506
+C(=C)CON1C(N2CC1C=C(C2C(=O)N)C)=O	5321
+O(c1nnc(SCC=C)c(c1C)C)CC	5322
+C1CCCCC1(CC=C)O	5323
+CC(C)(C)[Si](C)(C)OC(c1cc(Br)ccc1)CC(CC=C)O	3250
+c1cc(ccc1S(=O)(=O)C2C(COc3c(ccc(c23)F)F)CCC(CC=C)O)Cl	3250
+O=S(=O)(n1c2ncc(c(Cl)c2cc1)CC=C)c3ccc(cc3)C	276
+C1(N(C(N(c2c1nc(Cl)[nH]2)CCCCC)=O)CCCCC#N)=O	3251
+C1CN(CCP1(c2ccc(cc2)F)=O)Cc3ccccc3	5324
+c1cnc(c2c1c([N+]([O-])=O)ccc2)C#N	5325
+c1cc2cc[nH]c2cc1C3C(C(N(OC)C)=O)C3	3252
+c1cc(ccc1OC(=O)C=CC)C=O	2358
+c1(CCC(OCC)=O)[nH]cc(c1)CCCC	1253
+CC(C)(C)OC(=O)N(CC(NCCNC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)C	9
+CC(C)(C)OC(=O)NCCNC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O	9
+c1cc(ccc1CO)NC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC	33
+C(C=O)C1CCCOC1	2359
+c1(CC[N+](=O)[O-])cc(C)cs1	5326
+C(NC(=O)C1C(CCCCCCCC)C1)CCCNC(=N)N	68
+Clc1cccc(Cl)c1-c2c(NC(NCCCCCCCC)=O)nc3c(cnc(n3)NCCCN4CCN(CC4)C)c2	1254
+CCOC(=O)C(C)c1c(OC)c(Oc2c(F)cccc2)ccc1	3253
+CC(C(=O)OCCN(C)CCOC)=C	2360
+C1CC(CCC1CCC)C2CCC(CC2)CCCOC(=O)C(C)=C	2360
+C1CN(CCN1CCNC(=O)C(C)=C)C=O	3254
+CC(C)(C)OC(N(CCN(Cc1c(-c2ccc(cc2)NC(C(=C)C)=O)nn(C3OCCCC3)c1)C)C)=O	5327
+CC(C)(C)[Si](C)(C)CCCOCC(O)CNC(=O)C(=C)C	3254
+c1cc(ccc1S(=O)(=O)ON=C(C#N)c2cccs2)OC(=O)C(C)=C	3255
+C(OC(=O)C(C)=C)(CC=C)C	5328
+C(c1ccc(C)c(c1)F)NC(C(CCBr)Br)=O	68
+FC(F)(F)c1ccc(cc1)CNC(C(Br)CCBr)=O	68
+O1N(CCC1)C(=O)C(Cl)C	1080
+c1cc(ccc1)CN(C(=O)C(C)Cl)C(CO)C	58
+C1CC12CCc3ccc(cc3C24N=C(C(N4)=S)C)Br	3256
+C1CC(CCC12Cc3ccc(OCCCF)cc3C24N=C(C(N4)=S)C)OC	3256
+CC(C)(C)OC(=O)NC(C(C)C(=O)OC)C(O)=O	403
+CC(NC(C(=O)NCC)CSC)=O	9
+C(=O)(C)N1c2ccc(cc2CCCC1)O	173
+c12c(CCCCN1C(=O)C)cc(c(Br)c2)O	38
+C(CCS(C)=O)(C(=O)NCCCCCCCC)O	948
+CC(C)(C)OC(=O)CN(C(c1cccc(c1SC(C)=O)C)=O)C2CCCC2	3257
+CN(C)C=CC(=O)c1sc2ccc(Br)cc2c1C	277
+C1CC1(c2ccccc2CCc3nc(ncc3Cl)Nc4ccc(C(=O)C)nc4)C(N)=O	949
+O=C(C(CC(c1ccccn1)=O)=O)OC	5329
+c1c(oc2c1cc(cc2)F)CC	2361
+c1cc([N+]([O-])=O)c2cc(C(=O)C)oc2c1OC	2362
+C(=O)(C)c1oc2cc(C(=O)O)ccc2c1	1
+c1(C(=O)C)cc(c(Cl)s1)[N+](=O)[O-]	5330
+c1cc(c(CC)c2c[nH]nc12)Br	2363
+c1c2c[nH]nc2cc(C)c1I	2363
+C(OC)(=O)C1COCC(C1)O	167
+C(Nc1cccc(Cn2ncc3cnc(nc23)Nc4cnn(c4)C)c1)(C=C)=O	324
+C1C(CN1C(C=C)=O)CNc2nc(nc3c2scc3)Cl	709
+c1c(C#N)c(Cl)cc2c1c(ncn2)N3CC(C(=O)N)N(C(C=C)=O)CC3	5331
+C1C2(CC1)CNC(c3n2c4cc(ccc4c3)C(Nc5cc(c(cc5)F)NC(C=C)=O)=O)=O	324
+C1N(CC12CCCN2C)c3cc(OC)c(cc3NC(C=C)=O)Nc4nc(ccn4)-c5cnn6c5CCCC6	324
+C1C2CC3(CC(CC1(C3)O)C2)C(OC(=O)C=C)C	1255
+C1CC(CCC1CCCCCOC(=O)C=C)c2cccc(F)c2F	1255
+C1CN(CCC1)C(c2ccc(cc2)S(=O)(=O)N3CCC(CC3)NC(=O)C=C)=O	771
+O=S(=O)(c1ccc(cc1)NC(=O)C=C)NC2CCN(CC2)C(=O)OCc3ccccc3	324
+C1CN(CCN1C)c2nc(SC3CCN(CC3)C(=O)C=C)nc(c2)Nc4ncc(C#N)s4	709
+C1CN(CCN1C)c2ccc(Nc3nc4c(C=C(C(N4c5cccc(c5)NC(C=C)=O)=O)CC)cn3)c(OC)c2	324
+C1CN(CCN1C)c2ccc(cc2)Nc3nc4c(cccc4-c5cc(NC(=O)C=C)ccc5)cn3	324
+C1CN(CCO1)CCCOc2c(NC(=O)C=C)cc3c(c2)ncnc3N(C(C)=O)c4ccc(F)c(c4)Cl	324
+CC(C)(C)OC(=O)N1C(C(=O)OC)CC(CCNC(=O)C=C)C1	771
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC(=O)C=C	324
+CN(C)C1CN(CC1)c2cc(OC)c(Nc3nccc(n3)-c4c5n(nc4)cccc5)cc2NC(C=C)=O	324
+CN(C)C1CN(c2c(cc(Nc3nc(-c4c5ccccc5n(c4)C)ccn3)c(c2)OC)NC(C=C)=O)CC1	324
+CN(C)CCN(c1c(cc(Nc2nc(c(C)cn2)-c3cn(c4c3cccc4)C)c(c1)OC)NC(=O)C=C)C	324
+CN(C)CCN(c1c(cc(Nc2nccc(-c3c4c([nH]c3)cccc4)n2)c(c1)OC)NC(=O)C=C)C	324
+CN(C)CCN(C)c1cc(c(cc1NC(C=C)=O)Nc2ncc(C#N)c(-c3c4n(nc3)cccc4)n2)OC	324
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(c2c(F)c1)Oc4cccc(NC(C=C)=O)c4	324
+Clc1ncc(F)c(NC2CN(CCC2)C(=O)C=C)n1	709
+FC(F)(F)c1cc(Nc2nc(c(cn2)Cl)Nc3c(C(=O)NC)cccc3)cc(NC(C=C)=O)c1	324
+N#Cc1c(c2cc(cnc2nc1)NC(=O)C=C)Nc3cccc(c3)Br	5332
+C(Nc1cc(C)ccc1O)(C=C)=O	324
+O=C1C2CCCCC2C(=O)N1CCOCCOC(=O)C=C	1255
+c1cc(ccc1N(C)C(C2CCOCC2)=O)S(=O)(=O)N3CCC(CC3)NC(=O)C=C	771
+C(COC)Oc1ccc(Nc2nc(c(F)cn2)Nc3cccc(c3)NC(=O)C=C)cc1O	324
+c1(c(F)c(c(c(OC)c1)F)N2Cc3cnc(cc3C4(CC4)C2=O)CNC(C=C)=O)OC	771
+c1(c(Nc2c(cccc2)C(=O)NC)nc(nc1)Nc3cccc(CNC(C=C)=O)c3)Cl	771
+C(C(N(Cc1c(F)cccc1)CCn2c3ncnc(N)c3c(-c4cc(O)cc(c4)F)n2)=O)=C	709
+c12OCCOc1ccc(Oc3cc(Nc4cccc(NC(=O)C=C)n4)ncn3)c2	5333
+c1ccc(Cl)c(OCCC)c1CN(C)C(=O)C=C	5334
+c1cc(ccc1)Oc2cccc(c2)Nc3cc(Nc4cc(NC(C=C)=O)ccc4)ncn3	324
+c1cc(ccc1Oc2ccccc2)-c3c(c(nn3C4CCCN(C(=O)C=C)C4)N)C(N)=O	709
+c1cc(ccc1C(O)=O)C=Cc2ccc(cc2)OCCCCCCOC(C=C)=O	1255
+c1cc(ccc1N(CCCCCCOC(C=C)=O)CC)N=Nc2c(cc(cc2)[N+]([O-])=O)C#N	1255
+c1cc(ccc1C(=O)N2CC3(CC2CC(C)(C)C3)C)NC(=O)C=C	324
+c1cc(ccc1F)NC(=O)C=C	324
+c1cc(ccc1N2C(C(C)C)=Nc3c(Br)c(ccc3C2=O)NC(=O)C=C)Cl	324
+c1cc(ccc1Oc2c(cc(cn2)N3CCC4(C3)CN(C(=O)C=C)CC4)C(=O)N)Oc5cc(ccc5)F	709
+O=S(=O)(N1CCC(CC1)NC(=O)C=C)c2ccc(cc2)[N+]([O-])=O	771
+c1ccccc1NC(=O)c2ccc(cc2)-c3c(C(N)=O)ccc(C4CCN(CC4)C(=O)C=C)n3	709
+c1ccccc1N(C(=O)C=C)CCn2c3c(c(-c4cc(cc(O)c4)F)n2)c(N)ncn3	5335
+C(C(N(Cc1n(c2c(cccc2)c1)C)C)=O)=C	709
+n1c(NC(=O)c2ccc(-c3c4c(N)nccn4c(C5N(C(C=C)=O)CCC5)n3)cc2F)cccc1	709
+c1cc(ccc1Oc2c(cc(cn2)N3CCC4(C3)CCN(C4)C(C=CC)=O)C(=O)N)Oc5cc(ccc5)F	5336
+CC(C)c1ccc2nc(cn2n1)C	1823
+Cc1cn2ccc(cc2c1)C#N	5337
+c1(Br)c2n(cc(C(=O)OC)n1)cc(C)n2	5338
+n12cc(C)nc1c(cc(C(=O)OC)c2)OCc3c(F)cccc3	3258
+c1c(cc2c(oc(C(=O)C)c2)c1)Br	5339
+FC(F)(F)c1ccccc1C(=O)N2CCN(CC2)c3ccc4nc(cn4n3)CCCCC	1823
+c1cc(ccc1COC(CC(=O)OC)CCCCCCCCCCC)OC	1476
+CCCCC=1CC(n2c(N=1)ccn2)=O	5340
+C(C1c2ccccc2C(=O)N1)C(=O)OC	325
+c1cc(ccc1Cl)C(=O)CCC(C)=O	94
+C1COC(O1)(CCCCBr)C	381
+c1(ccc(c(C)c1)NC(c2cc([N+]([O-])=O)ccc2NC(=O)CF)=O)C	26
+n1nc([nH]c1)-c2c(NC(CN3C(=O)C=Cc4ccc(C#N)cc34)=O)scc2Br	1477
+c1cc(ccc1N2CCN(CC2)CCCNC(=O)CN3c4nccc(C)c4-n5cccc5C3=O)OC	9
+n1c([nH]c(C)n1)NC(C)COC	1478
+C1CN(CCN1C(COC)=O)c2c(C(C)=O)cc(c3cccnc23)Cl	58
+CC(C)(C)OC(=O)NC1c2ccccc2C(OCc3cc(ncc3)NC(=O)COC)CC1	195
+O=C(COC)N(OC)C	1080
+C(COC)(=O)Nc1cc(ccn1)Oc2ccc([N+](=O)[O-])c3ccccc23	195
+c1cc(ccc1Cl)CN2C(C(=NN(c3cccc(NC(=O)COC)c3)C2=O)OC)=O	26
+c1cccn1-c2c(cc(cc2OCC)CN3CCC(CC3)Nc4nc5c(o4)cccc5NC(=O)COC)OCC	308
+s1c2sccc2c(C)c1	5341
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCC(OCC)=O)c1	1824
+C(=O)(Cc1ccc(c(c1)OC)Oc2ccc3c(cccn3)c2N)OCC	0
+c1cc(C(C)C(=O)OCC)cc2c1SCc3c(cccc3)C2=O	643
+C(=O)(Cc1cccc(NC(=O)c2cccc(-c3cc(ccc3)F)n2)c1)OCC	119
+CC1(C)OC(=O)C(C(=O)O1)C(=O)CCCCCCCCC	3259
+c1(OC)c(cc(OC)c(C(=O)CCCCCCCCC)c1)Cl	94
+O=S(=O)(Nc1scnn1)c2ccc(cc2)NC(=O)CCCCCCCCC	26
+c12OCOc1cc3C4(C(=O)N(c5c4cccc5)CCCNC(=O)c6sccc6Cl)COc3c2	1256
+O=C(NNC(=O)CCCCCC)c1cc2Cc3cc(CCCCCCCC)ccc3-c2cc1	3260
+C(=O)(N(C1Cc2cc(N)ccc2OC1)CCC)CC	0
+CC[Si](CC)(CC)OCc1nc(C(=O)C)n(COCC)c1	5342
+C1COCCN1Cc2cc(C(C)=O)c(Cl)s2	5343
+CC(C)(C)OC(Nc1c(CC(C)=O)c(F)ccc1)=O	5344
+c1(cccc(F)c1Cc2cc(c(OC)c(OC)c2)C(C)=O)F	586
+FC(F)(F)C(F)(F)C(=O)C=Cc1nccc(c1)Br	2364
+CC1(C)OB(OC1(C)C)c2cnc3N(CCCc3c2)C(N)=O	234
+O=S(=O)(OC(C)CCCCN1C(=O)c2n3c(N(CC3)C(C)=O)nc2N(C)C1=O)C	710
+c1(N2C(=O)NC(N(CC#C)C2=O)=O)c(Cl)cc(F)c(c1)NC(C)=O	5345
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)N2CC(CCC2)C(NCCC(=O)OC)=O	10
+c1ccc2C(=O)C(C(=O)c2c1)=NNC(=O)Nc3ccccc3O	5346
+CC(C)(C)OC(=O)CN(C(C(CSC(C)=O)C)=O)C1CC1	478
+CC(C)(NC(C(CC)Oc1cc2c(ccc(Br)c2)cc1)=O)COC	9
+O=S(=O)(NC1C(CCC1)C(O)=O)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4	71
+CC(C)(C)OC(=O)N1CC(NCC1)C(O)=O	5347
+C1CN(CCN1C(C=Cc2cccc(O)c2)=O)C	404
+c1ccccc1COc2cccc(C=CC(O)=O)c2	22
+c12CCC(Nc1ncc(C=CC(=O)N(C)Cc3c4ccccc4n5CCCc35)c2)=O	404
+C(C=Cc1ccc(NC(C)=O)nc1)(OC)=O	3261
+C(c1ccc(cc1C)F)CC(=O)O	159
+C(c1ccc(cc1Cl)F)CC(=O)O	159
+c12n(C)c(CN(C(=O)C=Cc3ccc(nc3)N)C)cc1ccs2	404
+c1cc(C=CC(N(Cc2n(c3c(cccc3)c2)C)C)=O)cnc1N	404
+FC(F)(F)Oc1cc(C(C)NC(=O)C=Cc2ccccn2)ccc1	711
+C1CCCCC1N2C(=O)CC(=O)N(CCCC)C2=O	5348
+C1CCCCC1N2C(CC(N(c3ccccc3S(=O)(=O)F)C2=O)=O)=O	2365
+CC(C)CC=CC(O)=O	3262
+CC(C)Oc1cccc(c1)C(CC(=O)O)N	1479
+CCCCCCCCCCCC=CC(O)=O	3262
+C(CC(=O)CC(OCC)=O)CCCCCCCCCOC1OCCCC1	5349
+OC(=O)C=Cc1ccc(C)c(C)c1	1081
+Clc1cc(cc(Cl)c1)C=CC(O)=O	1081
+FC(F)(F)c1ccc(C=CC(=O)O)c(c1)F	1081
+c1(ccccc1Cl)C(N)CC(O)=O	1479
+Fc1c(ccc(C(N)CC(O)=O)c1)F	1479
+c1cc(ccc1)C(N)CC(O)=O	1479
+C(=O)(O)C=Cc1ccc(NC(C)=O)nc1	5350
+C(=O)(O)C=Cc1ccc(cc1C)F	1081
+C(=O)(O)C=Cc1ccc(cc1Cl)F	1081
+C(=O)(O)C=Cc1ncccc1	3264
+O=S(=O)(n1c2ccccc2cc1C=CC(O)=O)c3ccc(cc3)Br	3264
+C(c1cc(c(OC)cc1)OC)=CC(O)=O	1081
+c1ccccc1N2C(=O)CC(=O)N(C)C2=O	2365
+c1cc(ccc1-c2c(C=CC(=O)O)cnn2C)F	3263
+c1cc(ccc1C=CC(=O)O)OC(F)F	1081
+C(CC1c2c(CC1)cc([N+]([O-])=O)cc2)C(=O)O	31
+CC(C)(C)OC(CCCCBr)=O	5351
+C(C)C(CC)Nc1c(NC(=O)Cn2nccc2)cc(cc1)C(OC)=O	33
+[nH]1c(C(NC2CN(c3cccc(C(=O)OC)c3)C2=O)=O)c(Cl)c(c1C)Cl	712
+c1cc(ccc1NC(=O)c2c(Cl)c(c(C)[nH]2)Cl)C#C	187
+c1cc(c(c(C(Cl)=O)c1OC)F)OC	82
+C1CCC(C1)n2c(c(c3cnc(nc23)Cl)C)C(OC)=O	5352
+c1c(F)c(c(cc1)F)-c2noc(C)c2C(=O)OC	2366
+c1ccccc1C(n2c(C)c(c3c2nc(Cl)nc3)C(OC)=O)C	5353
+c1cc(ccc1)C(C)N2C(=O)CC(C2)CC(C)C(=O)OC	5354
+c1ccccc1C2CC2C3CC(=C)C(=O)N3C	5355
+c1cc(ccc1C(=O)O)SCCCCCCCCCC(OC)=O	636
+C(OC1CN(CC1Nc2nc(cnc2CC)CC)C(OC)=O)C	66
+C(CNC(OC)=O)ON=C(C)c1nc2n(Cc3ccc4ncccc4c3)nnc2nc1	101
+O=C(OC)N1CC(C(OCCF)C1)Nc2c(nc(c(CC)n2)-c3ccc(OC)cc3Cl)CC	66
+C1C2CC3CC(CC1C3(C#N)C(OC)=O)C2	5356
+c1cc(ccc1)CN2CCC(CC2)(c3cccnc3)N(C)C(=O)OC	66
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ccc(cn5)CN(C(OC)=O)CCOC)s4)ncc3	66
+C1CC1NC(Nc2ccc(cc2)-c3nc(N4C(COCC4)C)c5CN(Cc5n3)C(OC)=O)=O	66
+C1CC1Nc2cc(nc3c(C=O)cnn23)NC(=O)OC	278
+C1CCC(C1)c2cc(Cl)ccc2OC(=O)OC	644
+C1CCC(C1)c2c(ccc(c2)CCC(OCC)=O)OC(=O)OC	644
+c1cc(ccc1OC)CCN(C(OC)=O)C2CCCC2	66
+C1CN(CCC1OC(=O)NC2(CCCCC2)C(OCc3ccccc3)=O)C(OC)=O	66
+C1CN(CCC12NC(=O)C(c3c(C)ccc(C)c3)=C2OC(OC)=O)OC	5357
+C1CN(CCN1C(=O)OC)C(C#Cc2cccc(c2)Cl)CC	66
+c1ccccc1Cc2c3ccccc3c(N4CCN(CC4)c5ncc(NC(=O)OC)cc5)nn2	950
+C1CN(CCC1CCC(O)=O)C(OC)=O	66
+C1CN(CCC1CO)C(=O)OC	66
+C1CN(CCN1c2ncc(cc2)-c3cn4c(nc3)ncc4C5(CC5)c6cc7cccnc7cc6)C(OC)=O	66
+C1C(CN1C(OC)=O)c2nc(no2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C	66
+CC(C)(C)C(C(=O)O)NC(OC)=O	544
+CC(C)(C)NS(=O)(=O)c1c(C(OC)=O)ccc(CCNC(=O)OC)c1	101
+CC(C)(C)OC(=O)N1CC(CCC1)C(c2cc(Cl)cc(c2)F)OCCNC(=O)OC	101
+CC(C)(C)OC(=O)N1CCN(C(=O)OC)CC1CCO	66
+CC(C)(C)OC(=O)NC1C(=O)N(Cc2ccc(cc2)-c3c(cccc3)CNC(=O)OC)c4c(cccc4)CC1	101
+CC(C)(C)OC(N(Cc1c(ccc(CCNC(=O)OC)c1)Cl)C2CC2)=O	101
+CC(C)(C)c1ccc(c(Cl)c1)OC(OC)=O	644
+CC(C)C(NC(=O)OC)C(O)=O	544
+CC1(C)C=C(C)c2c(N1)ccc(c2CNc3ccccc3OC)-c4ccc(OC(OC)=O)cc4OC	644
+CC1(C)Nc2ccc(c(COc3c(C)ccc(c3)F)c2C(=C1)C)-c4c(OC)cc(OC(=O)OC)cc4	644
+Clc1c(c2cc(C)n(C(=O)OC)c2cc1)[N+]([O-])=O	1825
+c1(ccc(C)n1-c2c(Cl)c(C(=O)OC)c(cc2)F)C	1826
+Clc1cc(NC(OC)=O)c(c(Cl)c1)[N+]([O-])=O	90
+c1c(Cl)cc(cc1-c2nn(cc2Cl)C(=O)OC)Cl	3266
+Clc1cc(ccc1)NCCCNC(OC)=O	101
+Clc1cccc(c1)-c2c(ccc(COC(=O)OC)c2F)OC	405
+Clc1c(c(F)ccc1)C(=O)OC	1826
+c12c(Br)cccc1c(n(C)n2)C(=O)OC	5358
+FC(F)(F)Oc1ccc(cc1)CC2CC(CCN2C(OC)=O)C(OC)=O	66
+FC(F)(F)S(=O)(=O)N(c1ccccc1CN2CC(C)(C)COC2=S)C(=O)OC	3267
+FC(F)(F)c1c(C(NC(CNC(=O)OC)C(=O)NC)=O)cn(C)n1	101
+FC(F)(F)c1ccc(c(CN(Cc2ccccc2)C(OC)=O)c1)-c3c(ccc(c3)CC(OC)=O)OC	66
+O=C1C=C(OCc2c(cc(cc2)F)CNC(OC)=O)C=C(C)N1c3c(ccc(C(=O)OC)c3)C	101
+c1(COc2nc3c(c(N4CCN(CC4=O)C(=O)OC)cn3CC)cc2)ncccc1	1827
+C(NC(CO)C)(=O)OC	101
+C(OC)(=O)NC1(C(CO)C1)c2cc([N+]([O-])=O)ccc2	101
+C(OC)(=O)Nc1cc(Cl)c(C)cc1	90
+N=1OCC2C(O)C(C(CC=12)OCOC)OC(=O)OC	405
+O=S(=O)(C)N(N1C(N(c2c(cc(-c3ccnn3C)c(C(C)C)c2)C1=O)C(=O)OC)=O)C(=O)C	5359
+S(CCOc1ccccc1NNC(=O)OC)C	5360
+c1(N2CC(CNC(OC)=O)OC2=O)ccc(I)c(F)c1	101
+c1(N2CC(OC2=O)Cn3nncc3)ccc(N4CC(NC(OC)=O)CC4)c(F)c1	101
+c1(c(F)ccc(c1)NC(OC)=O)[N+]([O-])=O	90
+c1cc(OC(=O)OC)c(C)cc1Br	644
+c1c(cc(c(Cl)c1)CNC(OC)=O)Br	101
+c1cc(cc(CC)c1OC(=O)OC)F	644
+c1cc(ccc1)-c2nc3ccccc3c(C(=O)NN(C(=O)OC)c4ccccc4)c2C	3268
+C1CN(CCN1C(=O)C2N(C(OC)=O)CC(CC2C(=O)OC)OC)c3ccccc3	1827
+c1cc(ccc1)S(=O)(=O)n2ccc3c4n(C5CC(NC(=O)OC)CC5)nnc4cnc23	101
+c1cc(ccc1-c2nn(CC)cc2-c3c4cc[nH]c4ncc3)NC(=O)OC	90
+c1cc(ccc1Br)C2(CCN(CC2C)C(OC)=O)O	66
+c1cc(ccc1Br)C2CCN(C(=O)OC)C2	66
+c1cc(ccc1CCNc2nc(nc(-c3cc(ccc3)S(=O)(=O)NC(=O)OC)c2)OC)OC	3269
+c1ccccc1-c2nc(no2)-c3ccc(cc3)NC(=O)OC	90
+c1ccccc1C(c2ccccc2)C(=O)N(CC)CC=CCOC(=O)OC	5361
+c1cc(ccc1)CC(C)N(Cc2cc(ccc2Oc3cc(ccc3)CC(OC)=O)Br)C(=O)OC	66
+c1cc(ccc1)CN(Cc2cc(Br)ccc2Oc3c(ccc(CC(=O)OCC)c3)OC)C(=O)OC	66
+n1(Cc2c3c(cccc3)ccc2)c(C(=O)OCC)c(CNC(OC)=O)c4cc(F)ccc14	101
+Fc1cc(ccc1F)COc2c(Cl)cc(C(=O)O)cc2	1
+Cc1cc(C#N)ccc1C(=O)O	1
+c1c(C#N)c(cc(C(=O)OC)c1C)[N+]([O-])=O	77
+C(c1c(C(=O)OC)ccc([N+]([O-])=O)c1)Br	29
+C(C1CN(c2c3c(nc(n2)-c4ccccc4O)cc(C)cc3)CCC1)NC(=O)OC5COCC5	101
+C1(C(C(n2cnc3cc(F)c(F)cc23)OCC1OC(=O)C)OC(=O)C)OC(C)=O	5362
+C(O)C(CO)CCC=C	1257
+c1cc(ccc1F)OCCC(C(OCC)=O)(C(OCC)=O)CCC=C	3270
+C(Cc1nc(ccc1)OC)(OCC)=O	2367
+CCOC(=O)C(C(=O)OCC)c1nc(NC(CCl)=O)sc1	290
+C1CCCc2c(C(=O)O)[nH]nc2C1	6
+O=C(CNC(c1c(OC(=O)C)c2c(cn(Cc3ccc(F)c(F)c3)c2c(n1)C#N)Cl)=O)O	1480
+C(O)(=O)c1sc(N2CCN(C2=O)Cc3ccc4nonc4c3)nc1C	6
+CCN(CC)CCOc1c(Cl)cc(Cl)c(c1)-c2nc(N)nc3sc(cc23)C(OCC)=O	8
+C(c1c(C(=O)OC)cc([N+]([O-])=O)cc1)Br	29
+C(=O)(c1c(c(I)ccc1F)C)O	235
+c1(c(c(I)ccc1F)C)C(=O)OC	128
+c1c(OC(C)=O)c(c(C(=O)O)c(C)c1)C	225
+C(c1sc(C(=O)OC)c2c1CCC2)(C)=O	5363
+c1(c2c(c(F)ccc2)[nH]n1)C(=O)OC	226
+C(C)OC(c1c2ccc(O)cc2[nH]n1)=O	226
+C(=O)(c1c2ccc(O)cc2[nH]n1)O	5
+n12c(Br)nc(c1cccc2)C(N(OC)C)=O	3271
+c1cc(ccc1Cn2c(cc(n2)C(OC)=O)-c3ccc(Cl)c(C)c3)C	309
+C1(=C(C(NC(=O)N1)=O)CC)C(c2cc(C)cc(C=CC#N)c2)=O	3272
+C(=O)(c1cc(C)cc(C=CC#N)c1)c2nc(OC)nc(OC)c2CC	2368
+C(=O)(c1cc(C)cc(C=O)c1)c2nc(OC)nc(OC)c2CC	39
+C(c1c(C(=O)OC)cc(Cl)c([N+]([O-])=O)c1)Br	29
+CC1(C)OB(OC1(C)C)c2cc(c(Cl)cc2C)C(=O)OC	372
+n1c(c2occc2nc1Cl)Nc3cc(C(=O)O)[nH]n3	1
+C(c1cc(cc(Br)c1CBr)F)(=O)OC	29
+c1c(C(OC)=O)nc(cc1Br)C(=O)O	1
+n1c(-c2cc(C)c(F)cc2)c(ccc1)-c3cc(C(=O)OC)c4n[nH]cc4c3	140
+c1cc(Cc2c3c(ccc(C(=O)OC)c3)n(C)c2)c(cc1C(=O)O)OC	1
+C(O)c1ccc([N+]([O-])=O)cc1F	98
+c1c2C(OC(=Nc2cc([N+]([O-])=O)c1)Cc3ccc(c(Cl)c3)Cl)=O	3273
+C(=O)(c1ccc(c2nn(C)cc12)F)OC	2369
+O(Cc1ccc(c2c1cn(C)n2)F)C	49
+Brc1ccc(cn1)C(=O)Nc2ncc(C(Nc3ncc(cc3)Br)=O)cc2	2370
+c1c(CO)cn2nc(nc2c1)Br	382
+c1ccccc1CNC(=O)c2ccc3n(ccn3)c2	56
+C(c1cc(ccc1)C(=O)OC)C(=O)O	4
+FC(F)(F)S(=O)(=O)Oc1cc2c(C(OC)=O)cccc2cc1	166
+C(=O)(c1cccc2ccccc12)c3c4cc(ccc4n(CCCCC)c3)O	5
+CC(C)(C)OC(=O)COc1cc2c(n(cc2C(c3cccc4ccccc34)=O)CCCCC)cc1	52
+c1cc(ccc1)CCNC(=O)c2ccccc2NC(=O)c3ccc(OC)c(Cl)c3	14
+c1(c(c(ccc1C)Cl)Nc2ccccc2C(OC)=O)Cl	128
+Cc1c(c(ccc1)Nc2ccccc2C(OC)=O)C	47
+c12c(c3c(Br)cccc3nc1cccc2)Cl	5364
+c1cc(ccc1)C(C(OC)=NC(C)(C)Cc2cc3OCOc3cc2)=O	5365
+c1cncc(NC(c2sc(cc2)Cl)=O)c1C(=O)O	1
+n1cc(Cl)nc(NC(C)c2cc(ccc2)NC(c3cnc(C)cc3)=O)c1	246
+FC(F)(F)C(C)(C)c1ccc(cc1)-c2noc(-c3cnc(O)cc3)n2	5366
+C1CC(CCN1c2cnc(CC)cn2)N(C3CC3)C(c4cnc(-c5ocnc5)cc4)=O	211
+C1CN(CCC1N(C2CC2)C(c3cnc(-c4ocnc4)cc3)=O)c5nc(no5)C(C)C	211
+CC(C)(C)OC(c1ccc(Br)nc1)=O	5367
+n1cc(C(=O)O)ccc1-c2ccc3cc(OC)ccc3c2	119
+C(=O)(c1cnc(cc1)CCC)O	587
+c1ccc(c2cc[nH]c12)-c3noc(-c4cnc(cc4)CCC)n3	1828
+C1CCC(C1)Oc2ccc(C(=O)O)cn2	91
+C1CCN1C(=O)c2cnc(Cl)cc2	211
+CC(C)(C)Oc1ncc(cc1)C(=O)O	5368
+C(=O)(c1cnc(cc1)NCC)O	70
+FC(F)(F)Oc1ccc(cc1NC(=O)CN2CCOCC2)NC(c3cnc(cc3)Cl)=O	246
+C(=O)(c1cnc(cc1)NN)O	383
+c1(cc(F)ccc1)-c2ccc(C(=O)O)cn2	140
+c1ccccc1CNC(c2cnc(cc2)Cl)=O	56
+c1cc(ccc1)N2C=C(C(=O)c3ccc(cc23)Cl)CNC(c4cnc(cc4)Cl)=O	3274
+O=C(c1cnc(cc1)N)N2CCOCC2C	211
+CCC(=CC)C=CCNC(c1cnc(cc1)N)=O	3274
+C(C)OC(=O)c1cnc(cc1)N	342
+c1nc(ccc1C(=O)OC)NCC	342
+N1(N=CC(C1=O)c2c(OC)cc(C#N)cc2)c3ccc(C(=O)O)cn3	2372
+c1cc(ccc1C#N)C2C(=O)N(N=C2)c3ncc(C(O)=O)cc3	2372
+C1CC1CN2c3[nH]c(Cc4ccc(cc4)N(C(c5cnn(C)c5)=O)C)nc3C(=O)N(Cc6ccccc6F)C2=O	5369
+Cc1cc(cc(c1)NC(c2cc(nn2C)C)=O)O	772
+c1(Cl)ccc(cc1NC(c2cc(nn2C)C)=O)O	772
+c1ccc(NC(c2cc(nn2C)C)=O)cc1C#C	772
+C(=O)(c1nn(-c2cc(I)ccn2)c3ccc(OC)cc13)O	3275
+COc1cc2c(cc1)n(-c3cc(I)ccn3)nc2C(=O)N	247
+C1CC(CCN1CCNC(=O)NC)Nc2nc3c(cccc3)n2Cc4ccc(C)o4	588
+C(C)N(CC)c1nsc(NC(NC)=O)c1C#N	5370
+FC(F)(F)c1cc(ccc1F)NC(=O)c2c3ccc(cc3ccc2)Oc4ccnc(NC(=O)NC)n4	5371
+FC(F)(F)c1cccc(c1)NC(=O)Cc2nc(sc2)NC(=O)NC	1481
+N(C)C(Nc1cc2OCCc3c(-c2cc1)sc(c3)C(N(c4c(Cl)cccc4)C)=O)=O	406
+c12c(C(=O)N(C1=O)C3CCCN(C3)C(=O)NC)cccc2	384
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)NC(=O)NC)C	406
+c1cc(ccc1)NC(NC)=O	406
+c1ccccc1-c2c([nH]c(n2)SCCCCCN(C(NC)=O)CCCCCCC)-c3ccccc3	384
+C(C)OCc1nc2c(N)nc3c(c2n1NCCCNC(NCC)=O)cccc3	588
+C1CN(CCC1Nc2ccc(C(=O)c3c(F)cccc3)c(N)n2)C(NCC)=O	384
+C1CC2(CCN1C(NCC)=O)Oc3ccc(C=CC(=O)OC)cc3C(C2)=O	384
+C1CC1COc2cc3oc(N4CCC(CC4)OCC(C)NC(=O)NCC)nc3cc2	5372
+CC1(C)OB(OC1(C)C)c2cnc(NC(NCC)=O)cc2	1254
+FC(F)(F)c1cc(Cl)c(c(Cl)c1)Oc2cc(C)n(C(=O)NCC)n2	5373
+c1(cnc(NC(NCC)=O)cc1C(=O)OC)Br	1254
+CCNC(=O)Nc1ncc(I)c(Br)c1	1254
+CCNC(=O)Nc1nccc(Br)c1	1254
+c12c(sc(NC(NCC)=O)n1)c(nc(Br)c2)Br	1481
+COc1cc2sc(NC(NCC)=O)nc2cc1Br	1481
+C(NCC)(Nc1sc2cc(C#N)ccc2n1)=O	1481
+O=C(N1C(COc2c(c([N+]([O-])=O)ccc2)C#N)CCCC1)NCC	384
+c1(cc2c(ccc(c2)NC(NCC)=O)nc1O)C(=O)O	406
+c1c2C(c3cc(c(c(c3)OC)OC)Br)C(C#N)=C(N)Oc2c4nc(ccc4c1)NC(NCC)=O	1254
+c1cc(ccc1-n2c(nc3c2ncnc3NC4CCCN(C(NCC)=O)C4)-c5c(cccc5)Cl)Cl	384
+c1cc(ccc1-c2sc(nc2C)NC(=O)NCC)OC	1481
+c1cc(ccc1SC(CC)C)OCCOC(=O)NCC	3276
+c1ccccc1COc2cc(-c3c4c(N)ncnc4n(C5CC(C5)CNC(NCC)=O)c3)ccc2	588
+n1c2c(cccc2)c([nH]1)C=Cc3ccccc3NC(NCC)=O	406
+c1c(cccc1C2N3C(N(CCBr)C(=O)C3(C)Cc4c5cc(OC)ccc5[nH]c24)=O)O	2373
+c1c(cccc1C2N3C(N(CCBr)C(=O)C3(C)Cc4c5cc(OCC)ccc5[nH]c24)=O)O	2373
+C1CN(CCN1c2nccc(NC(=O)NCCC)c2)CC	406
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(=O)NNC(=O)NCCC	1829
+C1CCCCC1NC(NCCCC)=O	588
+CC(C)(C)OC(=O)N1CC(OC(=O)NCCCC)C(c2ccc(cc2)F)C1	3276
+O=C(n1c2cccc(c2cc1)C=O)NCCCC	5374
+O=S(=O)(c1cc(I)ccc1C(=O)OC)NC(=O)NCCCC	1830
+O=S(=O)(c1c(csc1)C)NC(=O)NCCCC	1830
+O=S(=O)(N=C=O)c1ccccc1C(C)=C	3277
+O=S(=O)(NC(NCCCC)=O)c1ccccc1S(=O)C	1830
+c1ccccc1COc2cc(-c3c4c(N)ncnc4n(C5CC(C5)CNC(NCCCC)=O)c3)ccc2	588
+c1ccccc1C2c3[nH]c4ccc(OC)cc4c3CC5(C)C(=O)N(C(=O)N25)CCCCl	2373
+C1CC1CN(C(NCCCl)=O)C2OC(C(O)C(O)C2O)CO	5375
+c1cc(ccc1OC)CN(C(=O)NCCCl)C2OCC(C(C2O)O)O	5376
+C1CCCC1CC(C(NC(=O)NCCCl)=O)c2ccc(c(c2)Cl)Cl	5377
+C(Cl)CNC(=O)N1CCCC1=O	5378
+C1COCCC1NC(=O)NCCCl	588
+CC(C)(C)CCNC(NCCCl)=O	588
+CCOC(=O)c1c(C)nc(N2CCNC2=O)s1	3278
+C(Cl)CNC(=O)Nc1cccnc1	2374
+Clc1nccc(NC(=O)NCCCl)c1	406
+c1(ccncc1NC(=O)NCCCl)C	2374
+c1cc(ccc1C(OC)=O)-c2ccc(NC(=O)NCCCl)cc2C	406
+c1cc(ccc1-n2c(CCCNC(NCCCl)=O)c(C(NC3CC3)=O)nn2)C(=O)NCC	588
+c1cc(ccc1NC(=O)NCCCl)-c2nc3n(ncc3)c(NCc4c(cc(cc4)Cl)Cl)c2	406
+c1cc(ccc1NC(NCCCl)=O)NC(C)=O	406
+c1cc(ccc1)C(CC#C)NC(=O)NCCCl	588
+c1ccccc1CNC(c2sc(N3C(=O)NCC3)nc2C)=O	3278
+FC(F)(F)C1=CC(=O)N(C(N1)=O)c2c3OCCCc3c(Cl)cc2F	2375
+C1N(CC1Oc2ccc(cn2)I)C(Nc3cnccc3)=O	5379
+OC(C)C1=C(C(C=C(C)O1)=O)O	3279
+OC(C)C1=C(C(C=CO1)=O)O	3279
+C1CC(CCO1)N(c2cccc(C(OC)=O)c2Br)CC	713
+C1CC(CCS1)N(c2c(c(cc(Br)c2)C(=O)OC)C)CC	713
+C1CC1(C#N)NC(=O)C2N(CC(S(=O)(=O)c3ccccc3Cl)C2)C(=O)C4(CC4)N5CCN(CC5)CC	61
+C1CN(CCN1c2ncccc2NCC)C(c3ncc(cc3)C(OC)=O)=O	839
+CC(C)(C)OC(N1CC(c2ccccc2)N(CC)CC1)=O	61
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cccc(c2CC=C)C(=O)OC)CC	713
+CC(C)(C)OC(=O)n1nc(NCC)c2cc(C3C(=C(C)NC(=C3C#N)C)C#N)ccc12	2376
+CC(C)(C)OC(=O)N1CCC(CC1)N(CC)c2c(c(cc(Cl)c2)C(=O)OC)C	713
+CC(C)(C)OC(NC1C(N(Cc2ccccc2)c3c(cccc3C1)NCC)=O)=O	291
+C1(=O)c2ccccc2C(=O)N1C3CCC(CC3)OCC	5380
+CC(C)C(CN1CCC1)NCC	110
+CC(C)Oc1cc(ccc1[N+]([O-])=O)N2CCC3(N(CCC3)CC)C2	61
+CC1(C)OC2C(O1)C(OC2n3cnc4c(N)ncnc34)CNCC	110
+C[Si](C)(C)CCOCN1C(c2cc(ccc2N=C1n3ncc(C(OCC)=O)c3)NCC)=O	291
+FC(F)(F)c1cccc(C(Nc2ccc(c(-c3c(cnn3C)Cl)c2)OCC(C)(C)NCC)=O)c1	110
+c1(sc2c(c1)cc(O)c(Cl)c2Cl)C(O)C	5381
+OC(c1c(F)cnc(Br)c1)C	3280
+CC(O)c1c(Cl)c2c(cccc2)nc1	1831
+c1cc(cc(c1Cl)Cl)N=C(N)Nc2nc(cc(n2)C)NC3CN(CC)CCC3	61
+c1cc(ccc1)C(NC(=O)Nc2cc3c(c(NCC)n[nH]3)c(COC)n2)C	2376
+c1cc(ccc1NCC)C2(C(=O)c3c(cc(Cl)cc3NC2=O)Cl)C	291
+C1CC2(CCN1CC)Nc3c(sc(-c4ccncc4)c3)C(=O)N2	61
+C(C)(c1cc2c(nc1Cl)c(F)ccc2)O	1831
+C1CC1(c2ccc(cc2)-c3ccc(cc3)-c4c(c(C)no4)CN(CC)CC(C)c5ccccc5)C(=O)OCC	61
+c1ccccc1Cn2c(C)nc3cc(-c4oc5c(cccc5)n4)ccc23	5382
+c1ccccc1COc2c(C=CC=O)c(Cl)cc(c2)Cl	307
+CC(C)(C)c1nnc(NC(N(C(C)C=O)C)=O)s1	3281
+c1cc(ccc1)-n2cc3cc(cnc3n2)[N+](=O)[O-]	5383
+C(=O)C(NCCl)COC	5384
+ClCc1nnc(NC(=O)N(C(C=O)COC)CCl)s1	3281
+c1cc(ccc1F)CNCCc2ccc(cc2Cl)[N+](=O)[O-]	110
+c1(cc(c(cc1)CNCC)-c2c(ccc(c2)CC(OC)=O)OC)OC	42
+FC(F)(F)C(O)c1c(cccc1)-c2csc(C)c2	714
+c1ccccc1C(=O)C2=Cc3c(cc(cc3OC2=O)OC)OC	5385
+C1CCCCC1c2ccccc2C=O	191
+c1(CO)cc2ccccc2nc1Cl	269
+FC(F)(F)C(O)c1c(cccc1)-c2cscc2C	714
+Oc1ccccc1C(CNC(=S)NC(c2cccc(O)c2)C)O	1832
+FC(F)(F)c1cccc(C(Nc2cccc(C(NNC(=S)Nc3c(cccc3)Cl)=O)c2)=O)c1	5386
+c1c(ccc(c1Cl)-c2nc(N(CCC)c3c(OC)ccc(C(=O)O)c3)sc2C)OC	1258
+c1cc(ccc1CN2c3sc(CC)cc3C(=O)N(C2=O)CC(c4n(C)c5c(cccc5)n4)=O)-c6c(cccc6)C#N	1833
+c1ccccc1CN2C(CN(CC2)c3cc(OC)cc(c3)OC)C(N)=O	1834
+C(N1C(C(N)=O)CN(CC1)c2cc(cc(Br)c2)OC)c3ccc(OC)c(c3)OC	1834
+c1ccccc1CN2CCN(CC2C(N)=O)c3ccccc3	1834
+C(C)OC(=O)c1nc(cs1)C(=O)O	5387
+COc1cc(ccc1Cl)Nc2scc(n2)C(=O)O	2377
+c1cc(ccc1O)-c2scc(C(=O)O)n2	1835
+C1CC(CCC1NS(=O)(=O)C(C)C)CNc2nc(cs2)-c3ccccn3	3282
+C1CN(CCO1)CC=C(C[N+](=O)[O-])C	3283
+O(C)C(OC)CN(C(=O)OCC)CC=CC	5388
+O=S(=O)(c1c(-c2ccccc2)c(cc(c1)C(O)=O)NCC=CC)N	5389
+c1cc(ccc1OCCOCCCC)-c2ccc3N(CCC(C(=O)OC)=Cc3c2)CC=CC	5390
+c1cc(ccc1C(N2CCC(C2)Nc3nc(c(C#N)cn3)-c4c5ccccc5[nH]c4)=O)NC(C=CCN(CCO)C)=O	2378
+c1cc(ccc1C(N2CCC(C2)Nc3nc(c(C#N)cn3)-c4c5ccccc5[nH]c4)=O)NC(C=CCN(C)C)=O	2378
+N(c1c(OC)cc2c(c(Nc3cc(Cl)c(F)cc3)c(C#N)cn2)c1)C(=O)C=CCBr	1259
+N(c1c(OCC)cc2c(c1)c(ncn2)Nc3c(F)c(c(Cl)cc3)Cl)C(=O)C=CCBr	1259
+N(c1c(OCC)cc2c(c1)c(ncn2)Nc3cccc(C#C)c3)C(=O)C=CCBr	1259
+c1c(c(cc(c1)Nc2c3c(cc(OCC)c(NC(=O)C=CCBr)c3)ncn2)Cl)OCc4cccc(F)c4	1259
+c1cc(ccc1Oc2ccccc2)N3c4c(N)ncnc4N(c5cc(ccc5)NC(=O)C=CCBr)C3=O	1259
+CC(C)(C)N(C)CC=CC(N1Cc2sc3ncc(c(Nc4ccc(F)c(Cl)c4)c3c2CC1)C#N)=O	5391
+C(Br)CCCCOc1ccc(cc1CCC(=O)OCC)CCCCC(=O)OCC	8
+c1(OC)n(c2nc(nc(N)c2n1)OCCCC)CCCCCBr	637
+C(CCCCBr)OC1=COC(CO)=CC1=O	3198
+C1CCCCN1CC(C)(C)O	2322
+C1CC(CCC1)(C(=O)OCC)C#N	5392
+Clc1ccc2c(OCCCCCBr)ccnc2c1	8
+c1ccccc1OCCCCCBr	8
+c1cc(ccc1SC(c2ccc(OC)c(c2)OC)CCCCCBr)C	5393
+C1CC(CCC1N(C(Oc2ccc(cc2)Cl)=O)C)OCCCCCBr	176
+c1ccc2ccc3c4c(ccc1c24)ccc3COCCCCCBr	176
+C(Br)CCCCCNc1c(O)cccc1	15
+c1c(c(ccc1)[N+]([O-])=O)NC(CCCCCN=[N+]=[N-])=O	310
+C(CCCC)CCOc1ccc2c(ncc(c2)C=O)c1	8
+O=Cc1cc(ccc1OCCCCCCC)Br	8
+c1ncn(c1)CCCCCCC#N	541
+CCC1(NC(C)(CC)CC2(C1C)C(N(C(N2)=O)CCCCCCCC)=O)C	3284
+C(CCC)CCCCN=[N+]=[N-]	310
+c1cc(ccc1-c2ccc(OCCCCCCCC)c(F)c2)C(=O)O	8
+n1cc(cnc1-c2c(F)c(F)c(cc2)OCCCCCCCC)-c3cnc(cc3)OCCCCCCCC	8
+C(Br)CCCCCCC(Cl)=O	130
+C1CN(CCC1Nc2c3c(nc(CC)c2CNC(CCCCCCCBr)=O)n(CC)nc3)C(N)=O	68
+CC(C)Oc1c(-c2cn(cn2)CCCCCCCC(OC)=O)cccc1	541
+O(C(=O)CCCCCCCN1C(Nc2ccccc12)=O)C	3285
+c1cc(ccc1OCCCCCCCCCCCCCC)C(OC)=O	8
+C1CC(CCN1CCCCCCCCCCCCO)C(=O)N	28
+CC(C)(C)[Si](C)(C)OCCCCCCCCCCCCBr	19
+c1cc(ccc1OCCCCCCCCCCCCO)C=O	8
+C1CN(CCO1)CCCCCCCCCCCCc2c3C(NC(c3ccc2)=O)=O	28
+c1ccnc(c1)CN(CCCCCCN2CCc3c(cccc3)C2)Cc4ccccc4OC	28
+C(Br)CCCCCc1cccc(c1O)O	5
+c1(c(c(OC(C)=O)ccc1)OC(=O)C)CCCCCCBr	5394
+O(c1ccc(cc1CCC(=O)OCC)CCCCC(=O)OCC)CCCCCOc2ccc3c(OCCC3=O)c2CCC	8
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCCN4C(=O)C(=O)c5c4cccc5	28
+C(Br)CCCOCCCCCO	168
+C(Br)CCCOCCCO	168
+c12c(C(CCC3CCN(CCSc4c(ccc(F)c4)F)CC3CC(=O)OC)O)c(cnc1ccc(c2)OC)F	28
+O=Cc1c2c(c(cc1)[N+]([O-])=O)OCO2	3287
+c1cc(ccc1OC)SCCl	5395
+C1CC(CCC1)Cn2c3cc(c(F)cc3nc2-c4ccc(cc4OCc5c(cccc5)Cl)Cl)F	22
+CC(C)(C)c1nc2c(c(N3CC4(COC4)C3)n1)ccn2Cc5c(cccc5)Cl	1836
+CC(C)C(NC1Cc2c(CC1)n(c3ccc(cc23)OC)Cc4c(cccc4)Cl)=O	190
+c1c(C(=O)OC)cc2c(c(C(=O)CC)c(CC)n2Cc3ccccc3Cl)c1	190
+C(OP(OCC)(=O)Cc1ccccc1Cl)C	590
+O=S(=O)(C)N1CC(N(Cc2ccccc2Cl)c3ccc(C#N)c(Cl)c3)CC1	507
+C1CN(CCN1Cc2c(ccc([N+](=O)[O-])c2)F)C	131
+CN(C)Cc1c(F)ccc([N+]([O-])=O)c1	131
+c1(COC)c(F)ccc([N+]([O-])=O)c1	149
+c1cc(ccc1)CN2Cc3c(C#N)cccc3C2	3203
+C(Br)c1cc(CO)c(cc1F)Br	49
+c1cc(ccc1-c2noc(c2)C(N)=O)OCc3cc(c(cc3)C)C	22
+CC(C)(C)c1cc2c(c(F)c1)C(N(N=C2)Cc3c(F)cc(c(CO)c3)Br)=O	3288
+C(C#N)c1cc(c(Cl)cc1F)OC	163
+c1(cc(c(OC)cc1F)Br)CSC	639
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(Br)cc(c3OC)C)=O	149
+O=S(=O)(Cc1c(F)ccc(F)c1)c2ccc(cc2)Cl	5396
+CC(C)(C)OC(C1=C(c2ccc(cc2)C)c3c(n(cc3)Cc4ccc5c(non5)c4)C(N1C)=O)C(OC)=O	3289
+C(=O)(OCC)c1sc(N2CCN(C2=O)Cc3ccc4nonc4c3)nc1C	1083
+[N-]=[N+]=NCc1ccc(Cl)c(Oc2c(c(F)cc(c2)Br)Cl)c1F	545
+[N-]=[N+]=NCc1ccc(Cl)c(Oc2cc(cc(Br)c2)C#N)c1F	545
+O(CC)P(OCC)(Cc1c([N+](=O)[O-])cc(OC)cc1)=O	590
+O=Cc1ccc(OCC)cc1[N+]([O-])=O	1837
+c1c(CCNCc2ccc3c(c2)nc(NC(C)=O)cc3)cc(cc1)F	370
+CNCc1ccc2cccc(Br)c2n1	3290
+O=Cc1c(c(C)ccc1)Cl	1483
+C1COCCN1c2cc3c(nc(C)n3Cc4cccc(C)c4F)c(C(=O)OC)c2	505
+C1CN(CCO1)c2cc(c3nc(n(Cc4cccc(c4Cl)Cl)c3c2)C)Br	505
+FC(F)(F)c1nc2c(C(OC)=O)cc(cc2n1Cc3c(c(Cl)ccc3)Cl)N4CCOCC4	505
+O=Cc1c(F)c(Cl)ccc1	5397
+Clc1ccc(c(C=O)c1)OCc2cccc(F)c2F	22
+C(n1c2c(c(I)n1)cnc(C)n2)c3cccc(F)c3F	1485
+c1(cc(nc(SCc2cccc([N+]([O-])=O)c2Cl)n1)O)C	3291
+O(CC)C(C(Cc1cccc([N+]([O-])=O)c1F)C(C)=O)=O	1251
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cccc3C(=O)COc23	131
+CC(C)(C)OC(=O)NC(C(NC1C(N(c2c(cccc2N3CCCC3=O)C1)Cc4ccccn4)=O)=O)CC(C)C	5398
+CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(c2CC1)OCc3ncccc3	951
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCc3nc(oc3C)-c4ccc(cc4)OCc5ncccc5	951
+c1cccc2C(=O)Nc3cccnc3N(C(=O)CCC#C)c12	3292
+C(O)C(NC(=O)c1cc(ccc1)C#CCCCC(=O)O)C	121
+c1cc(ccc1)Cn2cc(CCCC(O)=O)nn2	642
+C(CCCC(=O)O)CCC1C(C(O)C#CCCCCC)CCC1OC2CCCCO2	5399
+COc1ccc(C(=O)OC)c(C#CCCCCC)c1	1247
+C(OC)CCCCC#C	76
+C(OC(OCC)C#CCCCCCl)C	5400
+C(O)CCCC#Cc1cc2c(nc1)cccc2	2379
+c1(ncn(n1)-c2ccc(cc2OC)C#CCCCCO)C	197
+c1cc(ccc1C)S(=O)(=O)OCCCCC#C	36
+C1C2=C(CCC1)C(=O)N(C2=O)c3c(cc(c(c3)N4C(NC(=O)N(C4=O)CC#C)=O)Cl)F	2380
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)C1)CC#C	19
+o1cccc1C(CCC#CCCC(OC)=O)=O	5401
+c1cc(Cl)c(Br)cc1CCCCO	213
+c1cc(cc(C)c1OC)CCCCO	213
+O=S(=O)(OCCC#Cc1nc(ccc1)CF)C	7
+c1c(OC(C)=O)cc(cc1)CCCCO	213
+Clc1cccc(Cl)c1COc2ccc3n(CCCC#N)c(cc3c2)C(OCC)=O	339
+c1c(c(ccc1)N(C(c2cc(c(cc2)Cl)Br)=O)C)OCCCC#N	8
+c1ccccc1C2=CCN(CC2)CCCC#N	1822
+c1ccccc1CN(Cc2ccccc2)CCCC#N	28
+c1cc(ccc1OCCCC#N)CCCCNC(=O)OCc2ccccc2	8
+C(CC=O)CC(=CCc1c(OC)c(c(c(OC)c1C)C)C)C	3293
+Nc1ccnc(SCCCC#N)n1	3294
+C(CC#N)c1c(scc1)CCCO	3295
+C1CC1(C#N)c2c(F)cc3c(OCO3)c2	1486
+COc1cc2c(cc1)nc(Cl)cc2CCN	51
+c1c2c(cccc2)c(c(C)c1)CC(O)=O	3296
+C(N)(=O)Cc1cc(N)c(cc1)N	645
+COc1ccc(Br)c(c1)CC(=O)O	270
+c1(CC(OC)=O)ccc(C)c(C)c1	1838
+O=S(=O)(C)Nc1ccc(c(C)c1F)CC#N	80
+C(C#N)c1ccc(N)c(F)c1C	0
+c1cc(ccc1S(=O)(=O)N2CCC(CC2)(c3c(C)cc(cc3)F)C#N)C	3297
+c1c(c(c(Cl)cc1)C)CC(=O)O	479
+O=S(=O)(C)Nc1c(c(CC#N)ccc1)C	80
+c1(OCCOC)cccc(C(C(C)=O)C#N)c1OC	1260
+C(C#N)c1cccc(N)c1C	0
+c1c(c(C)c([N+]([O-])=O)cc1)CC(=O)O	508
+c1c(c(c(cc1)OC)F)CC(=O)O	479
+C1CCCC1Oc2cc(C3=NOC(CC(OC)=O)(C3)C(=O)OC)ccc2OC	5402
+C1(N(N=C(C#N)C(N1)=O)c2c3c(OC(C3)C)c(Cl)cc2)=O	3298
+c1(c(C(CCC2CCN(CCSc3c(ccc(F)c3)F)CC2CC(=O)OC)N)c4cc(ccc4nc1)OC)F	840
+CC(C)(NC(C(C)Br)=O)C(=O)O	5403
+O=S(=O)(c1ccccc1[N+]([O-])=O)N2c3ccc(C(C(C)Br)=O)cc3CC2	1792
+c1(ccccc1C)C(N2CCc3cc(C(C(C)Br)=O)ccc23)=O	1792
+c1c(c2n(cc1C(=O)N)c(C)c(n2)C)N	5404
+c1(Cl)nn2c(c(nc2c(OC)c1)C)C	5405
+c1(c(n2c(n1)ccc(I)n2)C)C	5406
+n1cc(ccc1)-c2c(C)nc(-c3ccc(OC)c(OC)c3)n2O	5407
+CC(C)(C)OC(=O)N1CC(N2c3nc(ccc3CC2C1)C(CCCCl)(C)O)C	938
+C(c1cccc(SCC(=O)C)c1)C(=O)O	1839
+C(c1cccc(c1)SCC(=O)C)(=O)O	1839
+C(CN1CCC2=C(C(Oc3cc(OC)ccc23)=O)C1)(=O)C	3299
+CC(C)(C)NS(=O)(=O)c1cc(cn2cc(nc12)C)Br	1261
+C(C)C(CC)c1cc(C)nn2c1nc(C)c2	3300
+C(Oc1cccc(C)c1)C(=O)C	1084
+c1(SCC(=O)C)ccc(F)c(Cl)c1	1839
+FC(F)(F)c1cccn2c1nc(C)c2	1261
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCC(=O)C)CC2	1084
+Fc1cccc(F)c1COc2c3nc(cn3ccc2)C	1261
+C(=O)(C)c1oc2c(cc(cc2)F)c1	5408
+c1c(nc(s1)-c2c3c(nc(N)n2)n(Cc4c(F)cccc4)cn3)C	2381
+n12c(c(Cl)ncc1)nc(C)c2	5409
+c1(cccc(c1)SCC(=O)C)Br	1839
+Cc1cc(ccc1-c2scc(C)n2)C(=O)OC	3301
+c12c(cc(C)c(Cl)c1)OC(C3=C2CCN(CC(=O)C)C3)=O	3299
+c1c(Cl)c(OCc2cccc(F)c2)ccc1Nc3ncnc4cccc(OCC(=O)C)c34	1084
+ClC(Cl)=CCOc1cc(Cl)c(c(Cl)c1)OCC(C)=O	1084
+c1c(cc2C3(c4cc(cnc4Oc2c1)OCC(=O)C)N=C(N)OC3)Br	5410
+c1cc(ccc1)Oc2cc(Cl)cnc2Nc3scc(C)n3	5411
+c1cc(ccc1OCC(=O)C)CO	1084
+c1cc(ccc1OCC(=O)C)F	1084
+c1cc(ccc1OCC(C)=O)OCC=C(C)C	1084
+c1c(nn2cc(C)nc2c1)Cl	3300
+c1(ccccc1NC(C)Cc2onc(C)c2)Br	231
+c1ccccc1-c2c3n(cccc3)cc2Cc4c(F)cccc4Cl	5412
+c1cc(ccc1OCCCCl)-c2nc(CC(=O)OC)co2	3302
+c1cc(ccc1-c2occ(CC(=O)OC)n2)O	3302
+[N-]=[N+]=NCCOCC(=O)CC(OCC)=O	3303
+C1CC1c2occ(n2)CC(=O)OCC	5413
+C1CCCCC1n2ncc(c2-c3ccc(cc3)F)-c4scc(CC(=O)OCC)n4	3304
+C1CN(CCC1)CC(CC(OCC)=O)=O	2382
+CC(C)(C)SCC(=O)CC(OCC)=O	5414
+ClC(Cl)(Cl)c1nc(cc(O)n1)CCl	3305
+n1c(-c2ccco2)cc3N=C(CC(n13)=O)CCl	1085
+n1n2c(sc1C)nc(CC(OCC)=O)c2	5415
+C(Cl)C1=CC(Oc2c1ccc(c2Cl)O)=O	3306
+CCOC(=O)C(C1=C(SC2=NC(CCl)=CC(N12)=O)C)C	5416
+C(Cl)C1=CC(Oc2cc(ccc12)O)=O	3306
+C1=CC=C(C)N2C(C=C(CCl)N=C12)=O	5417
+FC=1C=CC2=NC(=CC(=O)N2C=1)CCl	5418
+c1cc(ccc1)-c2c3c(ccc(Cl)c3)nc(CCl)c2C(OCC)=O	5419
+c1ccccc1CCCOC(=O)CC(CCl)=O	3307
+c1c(ccc2N(C(CCc12)=O)C)C(C(Br)C)=O	94
+Cc1cccc(C)c1NC(CCBr)=O	26
+c1(c(NC(=O)CCBr)ccc(c1)F)[N+]([O-])=O	26
+c1cc(ccc1NC(=O)CCBr)N	26
+C1CC(CCN1C(=O)CCC(Br)C)C	58
+c1cc(ccc1)CC2COC(=O)N2C(=O)CCC=C	1840
+C1CC(CCN1c2snc(C(C)C)n2)NC(CCCBr)=O	68
+C1CC(CNC(CCCBr)=O)Cc2[nH]c3c(c12)c(ccc3C(=O)N)Br	68
+C1CN(CCN1Cc2ccccc2)CCC3(CCCC3)CNC(CCCCl)=O	68
+C1CN(CCN1c2c(OC)cncn2)CCCc3c4cc(NC(CCCCl)=O)ccc4[nH]c3	26
+CC(C)(C)OC(CCCCl)=O	5420
+CC(C)(C)OC(=O)NC(C(=O)NC1Cc2c(NC1=O)c(NC(CCCCl)=O)ccc2)CC(C)C	26
+c1(c(ccc(OC)c1Cl)C(=O)CCCCl)Cl	94
+C(C(=O)N(OC)C)CCCl	1080
+c1(c(c(C(=O)OC)cc([N+]([O-])=O)c1)F)NC(CCCCl)=O	26
+[nH]1cc(C(CCCCl)=O)c2cc(ccc12)F	432
+c1c2NC(CCc2cc(C(CCCCl)=O)c1)=O	94
+c1cc(ccc1-c2c(c3cc(Br)c(N4CCCC4=O)cc3o2)C(OCC)=O)F	5421
+c1cc(ccc1C(OC)=O)-c2c(cc(NC(=O)CCCCl)cc2)C	26
+c1cc(ccc1C(OC)=O)-c2c(nc(NC(CCCCl)=O)cc2)C	195
+c1ccccc1CN2CCC(CC2)N(C(C)C)C(=O)CCCCl	58
+CCN(CC)CC(=O)Nc1ccccc1S(=O)(=O)Nc2ccc3c(c2C(O)=O)CCCC3	5422
+c1c(CCNC(CCl)=O)ccc2OCOc12	68
+OCC(CO)(NC(=O)CCl)c1cccc(Br)c1	68
+C1(=O)C(C2N1C(=C(CS2)COC(C)=O)C(=O)OC)NC(CCl)=O	952
+C(Cl)C(=O)N1CC(CC1)F	58
+c1c2NC(Cc2cc(c1)C(CCl)=O)=O	94
+C1CC(C)N(C1C(=O)N)C(=O)CCl	3309
+C12C(CN(C1)C(CCl)=O)CCC2	58
+CC1CCC(C)N1C(CCl)=O	58
+C1CC(CCC1)Cn2c3c(OC)cccc3c(C(=O)CCl)c2	432
+C1CC(CCC1NC(CCl)=O)Nc2nn3c(ncc3-c4cccc(Cl)c4)cc2	68
+C1CC(CCC1NC(CCl)=O)O	68
+C1CC1(C(OC)=O)c2ccc(cc2)C(CCl)=O	94
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(cc5)CN6CCN(CC6)C(=O)CCl)s4)ncc3	58
+C1CC1c2sc(nn2)N3C(CCN(C)C3=O)OC(=O)CCl	204
+C1CCCC1n2c(NC(CCl)=O)c(nn2)C(N)=O	1841
+C1CN(CCN1C)CC(=O)Nc2sc3c(C#N)c(Oc4cc(ccc4)NC(=O)c5cc(C(C)(C)C#N)ccc5)ccc3n2	5423
+CC(C)(C)OC(=O)NC1CN(C(CN2CCC(CC2)O)=O)CC1	5424
+C1CN(CCN1c2nc(N3CCC(CC3)C)c(cc2)[N+]([O-])=O)C(=O)CCl	58
+C1COC(O1)(C)C(O)CN(C(CCl)=O)Cc2ccccc2	58
+C1COCCN1c2cc(-c3c4c(ccc3)Sc5c(S4)ccc(NC(CCl)=O)c5)nc(O)c2	26
+O(c1cc(C23C(CC(CC2)NC(=O)Nc4ccc(F)c(F)c4)N(C(=O)CCl)CC3)ccc1OC)C	58
+C1c2c(CC1Nc3ncc4c(n3)CCN(C(=O)CCl)C4)cccc2	58
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(NC(=O)CCl)c(cc2)Cl	26
+CC(C)(C)OC(N1CCN(CC1)C(CCl)=O)=O	58
+CC(C)(C)OC(=O)NCCc1ccc(cc1)NC(=O)CCl	26
+CC(C)(C)OC(=O)Nc1ncc(cn1)-c2nc3c(ncc(-c4cccc(NC(=O)CCl)c4)c3)c(N5CCOCC5)n2	26
+CC(C)(C)OC(N1CCC(CC1)(CN(C(CCl)=O)CC)O)=O	58
+CC(C)(C)OC(N1CCC(CC1)C(=O)NNC(=O)CCl)=O	5425
+CC(C)(C)OC(=O)NCCN(C1Cc2ccc(Br)cc2C1)C(CCl)=O	58
+CC(C)(C)[Si](C)(C)OCC(C)n1c(nc2c1c(c(nc2Cl)C)C)CCl	546
+CC(C)(C)c1cc(c(c(NC(CCl)=O)c1)OC)S(=O)(=O)NC(C)(C)C	26
+CC(C)(C)c1c2OCC(=O)Nc2cc(c1)C(=O)C	646
+CC(C)(C)c1cccc(CN2C(=O)OC3C(CS(=O)(=O)CC23)Cc4cc(c(NC(=O)CCl)c(CC)c4)F)c1	26
+CC(C)Nc1cc(ncc1-c2nnc(CCl)o2)Cl	5426
+CC(C)[Si](C(C)C)(C(C)C)n1c2c(c(N(c3ccccc3)C(=O)CCl)ccc2)cc1	5427
+CC(C)c1cccc(C(C)C)c1NC(CCl)=O	26
+CC1(C)CN(c2cc(Cc3ccc(cc3)F)c(cc12)C#N)C(CCl)=O	192
+C[Si](C)(C)CCOCn1ccc(-c2nc3ccc(c(NC(=O)CCl)c3cc2)Cl)n1	26
+Cc1cc(cc(C)c1C(=O)CCl)NC(C)=O	94
+Cc1cc(cc(C)c1-n2c3nc(C)cc(c3nc2C)NC(CCl)=O)C	308
+c1(C)cc(cc(C)c1-n2cnc3c(cc(nc23)C)NC(CCl)=O)C	308
+Cc1cccc(C)c1NC(=O)CCl	26
+Cc1nc(nc(O)c1C)-c2ccc(NC(CCl)=O)cn2	308
+Clc1cc(cc(Cl)c1N2C=3C(=C(N2)C(C)C)C(=O)N=C(Cc4ccc(cc4)NC(=O)CCl)N=3)Cl	26
+c1(Cl)cc2C(=O)COc2cc1O	5428
+FC(F)(F)CN(CC)C(CCl)=O	58
+FC(F)(F)Oc1c(NC(CCl)=O)cc(cc1)C(=O)Nc2ccc(-c3ccccc3F)nc2	26
+FC(F)(F)c1cc(NC(CCl)=O)ccc1Cl	26
+FC(F)(F)c1c2N=C(N(c3c(Cl)cccc3)C(=O)c2ccc1)CCl	1842
+FC(F)(F)c1cc(C(Nc2cccc(c2)-c3n4c(cc(n4)-c5ccncc5)ncc3)=O)cc(NC(CCl)=O)c1	26
+FC(F)(F)c1cccc(N(C(CCl)=O)C)c1	192
+FC(F)(F)c1ccc(c(CN(C(=O)CCl)CC)c1)-c2cc(ccc2OC)CC(OCC)=O	58
+FC(F)(F)c1ccc(cc1)-c2cc(CO)c(cc2)NC(=O)CCl	26
+FC(F)(F)c1ccccc1-c2nc(c3cc(NC(=O)CCl)ccc3c2)O	26
+c1c(F)cc(cc1CC(NC(=O)CCl)c2ncccc2-c3cc(c(cc3)F)C(N)=O)F	68
+C(Cl)C(NC(CO)C)=O	68
+c1c(cc(c(Nc2c(c3n(ccn3)cc2C(=O)NNC(CCl)=O)Cl)c1)F)Br	1086
+c1c(cncc1C(=O)NNC(CCl)=O)Br	1086
+c1(C)c(cc(C#N)cc1)NC(CCl)=O	26
+C1(=O)Nc2c(F)c(ccc2OC1)CCCl	646
+O1c2ccncc2NC(C1)=O	5429
+O1c2c(NC(C1)=O)ccnc2	5430
+c1([N+]([O-])=O)ccc2N=C(OC(=O)c2c1)CCl	3310
+C1(=O)Nc2c(c(F)ccc2OC1)F	646
+c1([N+]([O-])=O)ccc(Br)c(NC(CCl)=O)c1	26
+N(C)c1ccc(Oc2ccnc(c2)NC(=O)CCl)cc1[N+]([O-])=O	195
+C1(Nc2cccc(c2OC1)C(=O)C)=O	646
+C1(Nc2cccc(C(=O)OC)c2OC1)=O	646
+c1c(c(c(F)cc1)C)NC(CCl)=O	26
+O1c2c(NC(C1)=O)cccn2	5431
+c1c(OC)c(ccc1)N2C(=Nc3cccc(Cl)c3C2=O)CCl	1842
+c1cc(c(cc1CN2CCOC(C2)CNC(CCl)=O)Cl)Cl	68
+O=C(C(=NOC)c1csc(NC(CCl)=O)n1)OC	290
+c1cc(ccc1CCC(C(=O)OCC)(C(=O)OCC)NC(C)=O)Sc2ccc(cc2)C(=O)CCl	94
+O=Cc1c(c(C(CCl)=O)c(C)[nH]1)C	432
+O=S(=O)(c1c(cc(NC(=O)CCl)cc1)Cl)N	26
+O=S(=O)(c1ccc(c(Cl)c1)NC(=O)CCl)N	26
+O=S(=O)(c1cc(c(cc1)NC(CCl)=O)C)N	26
+c1cc(ccc1S(=O)(=O)C(F)F)-c2ccc(cc2)C(CCl)=O	94
+O=S(=O)(c1ccccc1)c2ccc3NC(=O)COc3c2	646
+OC(CO)CNC(CCl)=O	68
+C1(=O)Nc2c(OC1)cccc2O	646
+C(Cl)C(c1c2cccnc2[nH]c1)=O	3311
+C1(Nc2c(c(c(c(Cl)c2)CC)Cl)OC1)=O	646
+O(C)c1cc2N=C(CCl)N(c3c(cccc3)Cl)C(=O)c2cc1OC	1842
+c1(OC)cc(cc(Br)c1)NC(CCl)=O	26
+c1(c(C=2c3c(ccc(F)c3)-n4c(CN=2)nnc4CCl)cccc1)F	5432
+c1cc([N+]([O-])=O)cc2OCC(Nc12)=O	646
+c1cc(C)cc2OCC(Nc12)=O	646
+c12c(-c3c(c4c(cccc4)c(n3)O)C1)ccc(NC(=O)CCl)c2	26
+c1(C(CCl)=O)c2cc(Br)cnc2[nH]c1C	3311
+c12c(cccc1)CN(C2)C(=O)Nc3ccc(cc3)-c4noc(CCl)n4	2383
+c1c2c(C(NC(CCl)=O)C(O)C2)ccc1	68
+c12c(cccc1)nc(c3c2cccc3)CNC(=O)CCl	68
+c1(cccc(C)c1N(C(C)C(OC)=O)C(=O)CCl)C	5433
+c1c(F)cc(cc1C(NC(=O)CCl)CO)F	68
+c1c(cc(C(C)O)c(NC(CCl)=O)c1)Br	26
+ClCC(NC1c2c(CC1)cccc2)=O	68
+C(Cl)C(=O)N1CCCc2ccccc12	192
+C1N(c2ccc([N+]([O-])=O)cc2C1)C(=O)CCl	192
+c1cc(c(cc1Cn2c3cccc(NC(=O)CCl)c3cc2C(=O)OCC)Cl)Cl	26
+C1CN(C(=O)CCl)c2ccc(cc2S1)[N+]([O-])=O	192
+c1ccccc1C(CO)NC(=O)CCl	68
+c1cc(ccc1)C(C)(c2cc(Br)ccc2NC(CCl)=O)O	26
+c1cc(ccc1)C(c2c([nH]cc2NC(=O)CCl)C)=O	308
+c1ccccc1CN(C(CC)C(O)C)C(=O)CCl	58
+c1ccccc1NC(=O)CCl	26
+c1ccccc1C(C)N2C(COC(c3ccc(cc3)Br)C2)=O	2384
+c1cc(ccc1C(C)C)C2=NC(=O)N(c3ccc(cc23)OCC#C)Cc4cc(NC(CCl)=O)ccc4	26
+c1cc(ccc1C)C(=O)NNC(CCl)=O	1086
+c1cc(ccc1OC(CCl)=O)C=C	385
+c1cc(ccc1Cl)-c2sc(c(C(=O)CCl)c2)C	1487
+C1CN(CCN1C(=O)CCl)c2ccc(cc2)F	58
+c1cc(ccc1C#N)NC(=O)CCl	26
+CC1(C)CC2(CC(C1)N(C(c3ccc(cc3)NC(=O)CCl)=O)C2)C	26
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3c4ccccc4C(NC(=O)CCl)CCC3	68
+c1cc(ccc1CN2C(C)COCC2=O)OC	2384
+c1cc(ccc1S(=O)(=O)n2ncc3c(-c4oc(CCl)nn4)cc(cc23)Br)C	5434
+c1cc(ccc1Sc2ccc(cc2)CCCC)C(=O)CCl	94
+c1c(cnc(c1)NC(CCl)=O)F	195
+c1ccc(cc1C#N)C(=O)NNC(=O)CCl	1086
+c1cc(ccc1)C(c2ccccc2)(CCN(C(CCl)=O)Cc3ccccc3)O	58
+c1cc(ccc1)C2c3ccccc3N(C2)C(=O)CCl	192
+c1ccccc1C=2c3c4c(c(OCC)cc3CC(C)(CNC(=O)CCl)N=2)OC(C)(C)C4	68
+c1ccccc1CCNC(=O)CCl	68
+c1ccccc1CN2CCC(CC2)NC(CCl)=O	68
+c1cc(ccc1)C(N(Cc2ccccc2)C(=O)CCl)C(C)O	58
+c1ccccc1COC(=O)C2OCCN(C2)C(CCl)=O	58
+c1ccccc1COc2cc(ccc2OCc3ccccc3)NC(=O)CCl	26
+c1ccccc1COc2cccc(c2)-c3ccc(Cl)cc3NC(CCl)=O	26
+c1cc(ccc1C(CCl)=O)Oc2ccc(cc2)CCCC	94
+O=S(=O)(c1ccccc1)c2ccc3c(NC(=O)CO3)c2	646
+c1ccccc1S(=O)(=O)n2c3cc(F)ccc3c(-c4cc(O)c(cc4)NC(CCl)=O)c2	26
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)-c4noc(CCl)n4	5435
+n1cc(-c2cc(NC(=O)CCl)ccc2)nc3ccccc13	26
+C(C1=C(N2C(=O)C(NC(Cc3c(cccc3)CN=[N+]=[N-])=O)C2SC1)C(O)=O)(Sc4nnn[nH]4)CC(=O)O	952
+CC1(C)CCOc2cc(C(CCCCC)=O)ccc12	586
+c1cc(ccc1)CC(CCCCC)=O	5436
+C(C(=O)C)c1cc(C)no1	591
+N1(C(C(=O)O)C)C=C(C(=CC1=O)c2c(ccc(Cl)c2)C#N)OCC	5437
+N#CC1=CN(C(C=C1Br)=O)C(C(=O)O)C	5438
+O1COc2c(cccc12)C(CO)CCCCC	21
+C1CC(CCC1)N2CC(CC2=O)C(=O)O	5439
+c1(N2C(CC(C(=O)O)C2)=O)ccc(c(C)c1)O	5440
+c1cc(ccc1N2C(CC(C2)C(O)=O)=O)C3C(C3)C(=O)NCCCCCCCCCC	1843
+c1cc(ccc1N2CC(C(O)=O)CC2=O)F	1843
+c1ccccc1COc2ccc(cc2)N3CC(C(O)=O)CC3=O	1843
+C(C(CCC(Cl)=O)OC(C)=O)(=O)OCC=C	141
+C(O)CCC1CCOC1	647
+c1(cc2OCCc2cc1)C(NC(CCC3CCc4c(C3)nc5c(CCCN5)c4)=O)CC(OCC)=O	9
+[nH]1c2C(NC(CCC(OC)=O)Cc2c3cc(OC)ccc13)=O	5441
+FC(F)(F)c1c(c(F)ccc1)CN2C(C)=C(C(N(C2=O)CC(NCCCC(=O)O)c3ccccc3)=O)c4ccccc4Cl	110
+c1ccccc1CNC(c2sc(nc2C)NC(=O)CCCBr)=O	373
+c1(cc2c3c(C(N(C(=O)c3cc(c2)C(O)=O)CCCC(O)=O)=O)c1)[N+]([O-])=O	5442
+c12c3c(cc(c1)[N+]([O-])=O)C(N(C(c3ccc2)=O)CCCC(=O)O)=O	5443
+C(OCCOCC=CCBr)COCCOCCC(=O)OC	167
+c1(c2c(c(C)cc1)C(CCO2)=O)F	214
+c12c(nc(C=Cc3cc4c(OCc5c(C4SCCC(=O)O)cccc5)cc3)cc1)cc(Cl)c(F)c2	3312
+CN(C)CCNC(CCl)=O	9
+FC(F)(F)c1csc(-c2c(-c3cncc(C(=O)NNC(CCl)=O)c3)cnc(NC(=O)NCC)c2)n1	5444
+O(CC(=O)O)CCc1cccc(F)c1	1844
+c1c(Cl)c(c(cc1)Cl)CCOCC(=O)O	1844
+c1(n(c2cccc(F)c2n1)C)CCl	953
+c12ccccc1c(ccc2)CCOCC(=O)O	1844
+c12c(cccc1)ccc(c2)OCC(O)=O	1845
+c1cc(ccc1S(=O)(=O)C)C	5445
+c1ccccc1CCOCC(=O)O	1844
+OC(CN(CC(O)=O)CCNCC(OCC)=O)=O	1459
+C1CN(CCC1)c2nc(C=C3SC(=S)N(CC(=O)O)C3=O)cs2	3313
+s1c(nc(C=C2C(N(CC(O)=O)C(=S)S2)=O)c1)Nc3c(C)cccc3	3313
+C(N1C(C(=C(O)C=C1C)[N+](=O)[O-])=O)C(=O)OC	27
+C1C(C(OC)=O)N(C(=O)CN2CCCC2=O)CC1	478
+O=C(N(OC)C)Cc1c(F)cccc1Cl	164
+C(C(=O)N(OC)C)c1cc(C)no1	164
+c1cc(ccc1-c2cc(ccc2C)C(=O)NC3CC3)-c4nnc(CNC(Cc5cc(no5)C)=O)o4	9
+CCOC(Cc1ccco1)=O	939
+CCOC(Cc1ccsc1)=O	27
+C(C(=O)OC)c1n[nH]c2c1cccn2	27
+c1(c(c(ccc1)NC(Cc2c(Cl)cccn2)=O)C)Br	33
+C1C(CN1C(=O)CCl)OC	5446
+c1nc(c2n1-c3cccc(Cl)c3C(N4C2CCC4)=O)-c5noc(CCl)n5	3315
+c1nc(c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C)-c4noc(CCl)n4	3315
+c1c(C)c(c(cc1)C)NC(C(OC)=O)C	3316
+FC(F)(F)C1=CC(=O)N(c2cc(Oc3ccc(cc3)OC(C(=O)OC)C)c(cc2F)Cl)C(=O)N1C	289
+FC(F)N1C(=NN(C1=O)c2c(Cl)cc(c(OC(C)C(=O)OC)c2)C)C	289
+c1(C=O)cccc(OC(C)C(OC)=O)c1	289
+C(C(=O)OC)(C)c1ccc2Sc3ccc(N)cc3CC(=O)c2c1	0
+C1(Cc2cc(N)ccc2Sc3ccc(cc13)C(C)C(O)=O)=O	4
+C1COC(O1)(c2ccc(CC(=O)NC(CO)C(OC)=O)s2)C	188
+C1COC(O1)(c2cc(ccc2)CC(NC(CO)C(OC)=O)=O)C	188
+O=S(=O)(NC(CO)C(=O)OC)c1ccc(cc1)Cl	592
+c1ccccc1COC(NC(C(OC)=O)CO)=O	544
+c1cc(ccc1S(=O)(=O)NC(CO)C(=O)OC)OC	592
+c1c2C(CC(=O)OC)c3ccccc3C(N(C)c2cc(OCCCCNc4[n+](cccc4)[O-])c1)=O	20
+C1CCC(C1)c2c(OCCCC(=O)OC)ccc(-c3c4c(c(Br)c5ccccc35)sc(C)c4C)c2	8
+c1cc(ccc1-c2c(oc3ncnc(OC4CCCN(C4)CCCC(OC)=O)c23)-c5ccccc5F)OC	28
+n1ccccc1NCCCCC(OC)=O	2376
+c1cc(ccc1F)-c2cc(no2)C(NCCCC(=O)OC)=O	81
+c1ccccc1CN2C(=O)CCC(C2c3c(ccc(F)c3)F)[N+]([O-])=O	5447
+c12N(C(N(C(=O)c1cccc2)CC(OC)=O)=O)CC(=O)Nc3cc(Cl)c(OC)cc3OC	3318
+N(CCNC(c1nc(c(nc1N)N)Cl)=O)CC(NCCN)=O	248
+C1CCCC(n2nc(c3cccnc23)CC(OC)=O)O1	1846
+c1cc(ccc1[N+]([O-])=O)Cn2c3c(c(n2)CC(=O)OC)cccn3	1485
+O(C)c1c(ccc(c1)C=2CC(=O)NN=2)OC	5448
+C(C(=O)c1c(-c2cc3ccc(cc3cc2)O)oc4ccccc14)CCC	5
+C(C(=O)c1c(-c2ccc3c(c2)ccc(OCC(=O)O)c3Br)oc4ccccc14)CCC	3
+C(C(=O)c1c(-c2ccc3c(c2)ccc(OCC(=O)OCC)c3Br)oc4ccccc14)CCC	52
+c1cc(ccc1)CC(C(=O)OCC)Oc2c(Br)c3ccc(-c4c(c5c(cccc5)o4)C(=O)CCCC)cc3cc2	3319
+C(C(=O)c1c(ccc(Cl)c1)O)CC(OCC)=O	27
+c1cc(ccc1F)CN2CC(C)N(CC2C)C(COc3ccc(cc3C(CCC(OCC)=O)=O)Cl)=O	648
+C(C(=O)c1cc(NC(C)=O)ccc1O)CC(=O)O	125
+C(C(=O)c1c(ccc(OC)c1)O)CC(OC)=O	27
+C(C(c1c(ccc(OC)c1)OCC2CO2)=O)CC(OC)=O	8
+C(C(=O)c1c(ccc(N)c1)O)CC(=O)O	0
+C(C(=O)c1c(sc2c1cccc2)-c3ccc4c(c3)ccc(OCC(=O)O)c4Br)CCC	3
+C(C(=O)c1cc(NC(C)=O)ccc1O)CC(OC)=O	167
+C(C(c1cc(NC(C)=O)ccc1OCC2CO2)=O)CC(OC)=O	8
+c1ccccc1NC(c2cccc(F)c2)C(OC)=O	5449
+c1(C(=O)OC)c(COC)nc(N)s1	5450
+c1ccccc1-c2nc(c(C)o2)CC(=O)OC	3320
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CC(OC)=O	5451
+C(C)(CCCC(C)CCC)(C=C)O	5452
+c12c(-c3c(cccc3)C1)ccc(CCC(=O)C)c2	1847
+OC(=O)C(C)Cc1c(cccc1)-c2ccccn2	3
+CC(C)(C)[Si](C)(C)OCC(CCCC(C1CCC2C3CC=C4C(C3CCC12C)(CCC(O)C4)C)C)C	19
+Cc1cc2c(OCC(=O)N2CC(C)CI)cc1	343
+c1c(cc(CC(C)N)c(C)c1)F	157
+c1c(cc(c(F)c1)CC(C)N)F	157
+CC(C(O)=O)c1ccccc1F	4
+O=Cc1c(O)c(cc(C(C(=O)O)CC(=O)O)c1)-c2cc([N+]([O-])=O)ccc2	4
+CC(C)(C)OC(NC(CC(=O)OCC)Cc1c(F)ccc(F)c1)=O	37
+c1[nH]c2CCCC(c2c1CCC(=O)O)=O	5453
+CC(C)(C)OC(N(C(C#N)CCCC(O)C)C)=O	23
+C(CCCCCCCCCOCC1OC1)OCC(CCCC)CC	649
+C1CN(CCO1)c2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2	79
+C1COCCC1Nc2c(c(C(=O)NCC(CN3Cc4c(CC3)cccc4)O)ccc2)C	231
+C(C(CNC(=O)c1cccc(c1C)N)O)N2CCc3ccccc3C2	0
+C1OC(CCC1)OCC(C)C=O	24
+C(C)OC(c1cnn(CC(Cl)=O)c1)=O	141
+c1(ccccc1C(Cl)=O)SCC	138
+O=C(C(c1c[nH]c2cc(CC)ccc12)=O)OC	715
+C(Oc1cccc(C(Cl)=O)c1)CCF	138
+C(c1ccc(cc1Cl)F)CC(Cl)=O	141
+C1C(CC1CC#N)C(=O)Cl	141
+C1C(CC1C(Cl)=O)N=[N+]=[N-]	141
+C1CC(CCC1)C(C2CCCCC2)CC(Cl)=O	141
+C1COCCC1C(NC(Nc2ncc(cc2)Oc3ccnc(NC(=O)C)c3)=O)=O	1489
+C1CC1C=2Nc3ccccc3C4=NN(C(C=24)=O)c5ccc(cc5)C(Cl)=O	138
+C1CC1NC(=O)NC(c2c(F)c(C)c(I)c(F)c2)=O	5454
+C1CC1c2c(COc3c(cc(cc3)-c4c(C)c(n(C)n4)C(Cl)=O)C)c(N5C(=O)N(N=N5)C)ccc2	954
+C1CC1c2c(C)cc(C)c(CC(=O)Cl)c2	141
+C1CC2(CCC1)N(CC(=O)Cl)C(=O)C(c3ccc(cc3)OC)=N2	141
+C1CC(CCC1)CC(C(=O)Cl)C	141
+C1CCCCC1c2nc(c(C)o2)C(=O)Cl	3322
+C1CC(CCN1C(OC)=O)CCC(=O)Cl	141
+c1ccccc1CC(C)(C)C(Cl)=O	141
+CC(C)(C(=O)Cl)CCCCOCCCCCl	141
+c1cc(ccc1CCCC(=O)Cl)OC(C)(C)C(OCC)=O	141
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2cc3ccc(C(Cl)=O)cc3cc2)cc1)C	138
+CC(C)(C)OC(Nc1nccc(Oc2ccc(nc2)NC(NC(C(C)(C)C)=O)=O)c1)=O	1489
+CC(C)(C)C(NC(Nc1ncc(Oc2ccnc(NC(N3CC(N(C)C)CC3)=O)c2)cc1)=O)=O	1489
+CC(C)(C)C(NC(Nc1ncc(Oc2ccnc(NC(=O)N3CCN(CC3)Cc4ccccc4)c2)cc1)=O)=O	1489
+CC(C)(C)C(=O)Oc1cc2c(CC(CC2)c3ccc(cc3NCCCc4ccc(cc4)CC(Cl)=O)OC)cc1	141
+CC(C)(C)C1CCC(CC1)C(Cl)=O	141
+CC(C)(C)Oc1c(c(Cl)ccc1)C(Cl)=O	138
+CC(C)(C)[Si](C)(C)OCC1CCn2c(c(c3ccccc23)C(C(=O)OC)=O)C1	715
+CC(C)(C)c1ccc(C2CC2C(Cl)=O)o1	141
+CC(C)(C)c1sc(cc1)C2CC2C(=O)Cl	141
+CC(C)(c1cccc(C(=O)Cl)c1)C#N	138
+CC(C)=CCCC1=CCC(CC(Cl)=O)CC1	141
+CC(C)n1c2c(ccc(c2)COC)c(c1)C=3C(NC(=O)C=3c4c5c(cccc5)n(c4)C)=O	5455
+CC(C)Oc1c(cc(C(Cl)=O)cc1)C#N	138
+CC(C)Oc1ccc(C(=O)Cl)cc1Cl	138
+c1ccccc1COc2c(C(C)C)cc(cc2)C(=O)Cl	138
+CC(C)c1cccc(C(C)C)c1C(Cl)=O	138
+CC1(C)C(OC(=O)C)CCC2(C1CCC3(C2CCC4C5C(CCC34C)(C(Cl)=O)CCC5C(=C)C)C)C	141
+C1C(CC1(C)C)C(NC(Nc2ccc(cn2)Oc3ncnc(-c4cnn(C)c4)c3)=O)=O	1489
+CC1(C)CC(CC(C)(C)O1)C(Cl)=O	141
+CCC(C)C(C(=O)Cl)F	141
+CCCCCCCCCCCC=CC(=O)Cl	3323
+CCCCCCCCCCCCC(=O)Cl	141
+O=C(C(=O)c1cn(c2c1cc(F)c(Br)c2)C)OCC	715
+O=C(C(=O)c1c2c(Cl)cccc2[nH]c1)OCC	715
+c1cc(ccc1)Cn2c3c(c(C(=O)C(OCC)=O)c2)ccc(c3)-c4cccc(Cl)c4	715
+C1(C(C(=O)Cl)=Cc2c(cccc2)N1C)=O	5456
+O=S(=O)(c1cc(ccc1Cl)-c2[nH]c3c(cccc3c2C(=O)C(OC)=O)Cl)NC4CCCCC4	715
+O=S(=O)(c1cc(ccc1Cl)-c2c(c3c(cccc3)[nH]2)C(C(=O)OC)=O)Cc4cc(Cl)ccc4	715
+O=C(C(=O)c1c2cccc3c2n(CC3)c1)OC	715
+c1ccccc1COc2cc3c(cc2)c(c[nH]3)C(C(=O)OC)=O	715
+O=S(=O)(Nc1c(Cl)ccc(-c2[nH]c3c(cccc3)c2C(=O)C(=O)OC)c1)c4ccccc4	715
+COc1cc(cc(OC)c1)-c2cccc(C(Cl)=O)c2	138
+c1(C(Cl)=O)ccc(OC)cc1[N+]([O-])=O	138
+COc1cccc2n(CCF)c3c(C(C(Cl)=O)CCC3)c12	141
+c1c(C)c(c(cc1OCC2CN(C)c3ccccc3O2)C)C(=O)Cl	138
+Clc1cc(c(cc1)C(=O)N=C=O)F	1490
+Clc1ccc(c(Cl)c1)CCCC(Cl)=O	141
+C(c1c(C)nc(Cl)nc1)(=O)Cl	3324
+FC(F)(C)c1nn2c(nc(c2)C(Cl)=O)s1	3325
+FC(F)(F)C(=O)NCc1c(cc(c(c1)C(N=C=O)=O)Cl)F	1490
+FC(F)(F)C(=O)NCc1ccc(Cl)c(C(=O)N=C=O)c1	1490
+FC(F)(F)C1(ON=C(c2c3c(c(s2)C(Cl)=O)CCCC3)C1)c4cc(Cl)cc(Cl)c4	1488
+FC(F)(F)C1=C(C(N(C(c2cc(-c3ccc4cc([nH]c4c3)C(=O)Cl)ccc2)=C1)Cc5c(cc(cc5)C)C)=O)C#N	954
+FC(F)(F)C=1N(C)C(=O)N(c2cc(c(Cl)cc2F)C(=O)Cl)C(=O)C=1	138
+FC(F)(F)CCOc1ccc(cc1)-n2c(nc(C(=O)Cl)c2C)-c3ccc(cc3Cl)Cl	3325
+FC(F)(F)c1nn(-c2c(Cl)cccc2)c(c1)C(=O)Cl	954
+FC(F)(F)c1cccc(c1)CC(Cl)=O	141
+FC(F)Oc1n(nc(c1Cl)-c2cc(c(cc2Cl)Cl)C(=O)Cl)C	138
+FC(F)c1c(cc(C#N)c(n1)Cl)C(OCC)=O	3326
+Fc1cc(c(C)cc1F)C(Cl)=O	138
+c1(F)cc(cc(F)c1)CC(=O)Cl	141
+Fc1cc(cc(F)c1C(=O)Cl)F	138
+C(Cl)(c1cccc(I)c1C)=O	138
+n1c(SC)nc2c(c(c(CC)n2Cc3cc(Cl)ccc3)C(=O)C(N)=O)c1OCC(OC)=O	5457
+c1ccc2C(=O)C(N3CCC(C(OC)=O)c1c23)=O	3327
+O=S(=O)(NC1CCCCC1)c2cc(ccc2Cl)-c3c(C(=O)C(=O)NC)c4c([nH]3)cccc4	5458
+O=S(=O)(C=C)c1ccc2c(sc(NC(=O)NC(=O)c3ccccc3Cl)n2)c1	5459
+C(=NC(=O)c1c(F)c(c(c(c1)F)F)OCF)=O	1490
+COP(OC)(C(C(Cl)=O)OC)=O	141
+O(CC)C(OCC)c1nc(C)c(C(Cl)=O)cn1	3324
+O(CC=C)P(OCC=C)(=O)OCc1c(cccc1Cl)C(Cl)=O	138
+c1ccc2n(cc(C(Cl)=O)c2c1F)Cc3c(F)cc(-c4cnn(C)c4)cc3	2371
+c1(c(c(ccc1F)C(Cl)=O)Cl)Cl	138
+O=S(=O)(CCC)Nc1ccc(Cl)c(C(Cl)=O)c1F	138
+O=S(=O)(N)c1c(cc(NCc2occc2)c(C(OCCCOC(CCC(=O)Cl)=O)=O)c1)Cl	141
+O=S(=O)(Nc1cc(C(Cl)=O)ccc1)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3	138
+O=S(=O)(c1cc2CCCN(C)c2cc1)Cl	1491
+c1cc(ccc1S(=O)(=O)Cl)O	1491
+O=S(=O)(Cl)c1cc(c(C)s1)C(=O)Cl	3328
+O=S(=O)(c1cc(F)c(C(Cl)=O)cc1)C	138
+c1cc(ccc1N(CC(OCC)=O)C)S(=O)(=O)Cl	1491
+O=S1(=O)N(C(C(Cl)=C1c2ccccc2)=O)C(C)C	3329
+C1(C(C(=O)Cl)CCCC1)C(=O)OC	141
+c1c(C)cc(cc1CC(Cl)=O)C	141
+c1(C)cc(cc(C)c1Oc2ccc(c(S(=O)(=O)Cl)c2)OCc3ccccc3)[N+]([O-])=O	1491
+C(Cl)(c1c(c(Cl)c(F)cc1)C)=O	138
+c1(cc([N+]([O-])=O)ccc1CC(Cl)=O)[N+]([O-])=O	141
+c1(c(cccc1)-n2c(OC)cc(C(=O)Cl)n2)F	954
+C(Cl)(c1c(c(C)ccc1)Cl)=O	138
+C(c1c2c(cc(Oc3ncnc(Cl)c3)cc2)ccc1)(Cl)=O	138
+O=C=NC(c1cc(F)c(I)cc1)=O	1490
+c1c(F)c(c(cc1OC)F)C(=O)Cl	138
+c1c(OC)c(c(cc1C(=O)Cl)OC)Br	138
+c1ccc(-c2ccc(OC)cc2OC)cc1C(=O)Cl	138
+c1c(C(Cl)=O)ccc(Cl)c1Br	138
+c1ccc(Oc2cc(C)c(OCC(=O)OCC)cc2)cc1C(=O)Cl	138
+Cc1cc(cc(C)c1F)C(Cl)=O	138
+c1c(F)c(c(cc1)F)N2C=C(C=CC2=O)C(Cl)=O	5460
+O(C)c1cc(cc(OC)c1OC)-c2ccccc2C(Cl)=O	138
+c1c(cc(C)c(C(Cl)=O)c1)Br	138
+c1(C(Cl)=O)nc(Cc2cc(ccc2)C(=O)C)oc1	3322
+c1c(cccc1OCC(Cl)=O)OC	141
+c1cc2c(-c3c(cccc3)C2(C(=O)Cl)CCCCBr)cc1	141
+c1cc(Br)c(c(C(Cl)=O)c1OC)Cl	138
+c1cc(Br)c(C(Cl)=O)cc1I	138
+c1cc(C(Cl)=O)cc([N+]([O-])=O)c1OC	138
+c1cc(Cl)c(C(Cl)=O)cc1I	138
+c1cc(OC)cc(OC)c1C(CCCCC)CC(Cl)=O	141
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(Cl)=O)s3	1488
+c1cc(cc(OC(C)=O)c1OC)C(Cl)=O	138
+c1cc(cc(c1OC)OCC)C(Cl)=O	138
+c1cc(ccc1)-c2c(C)c(C(Cl)=O)c3ccccc3n2	138
+c1cc(ccc1)-c2c(cccc2)Cn3c4c(c(OCC(OC)=O)nc(SC)n4)c(C(=O)C(N)=O)c3CC	5461
+c1ccccc1-c2cccc(C(Cl)=O)c2F	138
+c1cc(ccc1)-c2c(CCCC(=O)Cl)c(Cl)ccc2	141
+c1cc(ccc1)-c2ccc(c(F)c2)C(=O)Cl	138
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCCC(=O)Cl	141
+c1ccccc1C=2S(=O)(=O)N(CCCC)C(C=2Cl)=O	3329
+c1cc(ccc1)C2=C(C(=O)N(c3c(cccc3)Cl)C2=O)Cl	5462
+CC(C)(S(=O)(=O)CC(Cc1ccccc1)C(OCc2ccccc2)=O)C(Cl)=O	141
+c1cc(ccc1)COC(=O)N2CC(CCC2)C(Cl)=O	141
+c1cc(ccc1)COC(=O)OC2Cc3c(CC2)ncc(c3Cl)C(OCC)=O	5463
+c1cc(ccc1)COC(CCC(C)(C)C(=O)Cl)=O	141
+c1cc(ccc1)COCC(Oc2ccc(F)c(c2F)C(=O)N)C(=O)Cl	141
+O=S(=O)(c1ccccc1)Nc2c(scc2)C(=O)Cl	1488
+c1cc(ccc1-c2c(C)c(nn2-c3c(Cl)cc(cc3)Cl)C(=O)Cl)OCCCF	954
+c1cc(ccc1C(=O)Cl)-c2c(C)ccc(-c3nnc(C)o3)c2	138
+c1cc(ccc1C(=O)CNC(OCc2ccccc2)=O)C(Cl)=O	138
+c1cc(ccc1C(=O)Cl)OCCCCCCCCCCCCCC	138
+c1cc(ccc1C(CC=CC=CC(Cl)=O)OC)OC	3323
+c1cc(ccc1C=2C(N(C3(CCCCC3)N=2)CC(=O)Cl)=O)C	141
+c1cc(ccc1C=CC(Cl)=O)OC	5464
+c1cc(ccc1C=CCCCCCCCC(=O)Cl)F	141
+c1cc(ccc1C(Cl)=O)C=O	138
+c1cc(ccc1OCCCCCCCCCCCCCC)CC(=O)Cl	141
+c1cc(ccc1COC(CC(=O)Cl)CCCCCCCCCCC)OC	141
+c1ccccc1COc2ccc(cc2)CS(=O)(=O)Cl	5465
+c1cc(ccc1Cn2nc(-c3cccc(c3)C(Cl)=O)nn2)OC	138
+c1cc(ccc1F)-c2nn(c3ccc(cc23)C(Cl)=O)C(=O)C	138
+c1cc(ccc1C(c2ccc(cc2)F)=C(C#N)C(=O)Cl)F	5466
+c1cc(ccc1C2(CCCCC2)CCC(=O)Cl)F	141
+c1cc(ccc1F)C2CC(=O)NC=C2C(Cl)=O	5467
+c1cc(ccc1OC)Cn2ncc(C(Cl)=O)c2	5468
+c1cc(ccc1C#N)OCC(=O)Cl	141
+c1cc(ccc1OCc2nc3c(cccc3C)n2CCC(C)C(Cl)=O)Cl	141
+c1cc(ccc1C(Cl)=O)S(=O)(=O)Cl	138
+O=S(=O)(c1ccc(cc1)C)NC(C(Cl)=O)C	141
+c1cc(ccc1[N+]([O-])=O)C(C)C(Cl)=O	141
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(C)c(n(C)n3)C(Cl)=O)c1N4N=NN(C4=O)C	954
+c1ccc2C(=O)N(C(c2c1)=O)CCOCCOCCOCCC(=O)Cl	141
+c1cc(ccc1)-c2c(C(C(Cl)=O)=O)n3CCCCc3c2	5469
+c1cc(ccc1)-c2sc(CCCOC)c(n2)C(=O)Cl	5470
+c1ccccc1COc2cc(C(=O)Cl)c(cc2)C	138
+c1ccccc1Oc2nccc(n2)C(=O)Cl	954
+s1c(C2C(C(Cl)=O)C2)ccc1CCCC	141
+O=C(c1cc2CCCCc2s1)Cl	1488
+CN(C)C(=O)Cc1c(ccc(c1)OC)Br	58
+C(C)N(CC)C(Cc1c(cc(cc1)[N+](=O)[O-])Cl)=O	58
+C1CN(CCC1C)C(Cc2ccc(cc2Cl)[N+](=O)[O-])=O	58
+c1c(cc(c(C(O)=O)c1F)NC(=O)Cc2ccc3OCOc3c2)F	26
+C1COCCN1Cc2c(ncc(C=CC(N(Cc3c4ccccc4n(c3)C)C)=O)c2)N	2385
+c1c2COC(Nc2ncc1C=CC(N(Cc3n(c4c(cccc4)c3)C)C)=O)=O	2385
+C(=O)(C(N)C(C(OC)=O)C)O	4
+n1c(OC)ccc(C(CO)Nc2ncnc3CCN(Cc23)c4ccc(cn4)C)c1	40
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(cc4c(C(=O)C)c3)C(=O)N5CC6CCC5C6	30
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(C(=O)O)cc4c(C(=O)C)c3	1
+C(OC)CCC(N1CCCc2c(Br)cccc12)=O	21
+FC(F)(F)c1ccc2[nH]c(C(O)=O)cc2c1	5471
+c1cc(ccc1C=CC(=O)C(O)=O)-c2cc(OCC)ccc2	3330
+CC(C)(C)[Si](C)(C)OC(CCC1NC(CC1)=O)Cc2cc(F)ccc2	19
+CC(C)(C)OC(=O)NCCC(O)c1cccc(O)c1	37
+NC1=CC(=O)N(C(=O)N1C)CCCCC(OC(C)=O)C	5472
+C1CN(CCN1C)c2ccc(c(c2)C3=C(c4c[nH]c5c4cccc5)C(NC3=O)=O)N	1492
+CN(C)Cc1ccc2c(c(C=3C(NC(=O)C=3c4c[nH]c5c4cccc5)=O)co2)c1	3331
+CN(C)Cc1cnc2c(c(C=3C(NC(C=3c4c[nH]c5ccccc45)=O)=O)c(Cl)cc2)c1	1492
+O=C(C(C(C)=O)CCCCC)O	4
+CC(C)(C)[Si](C)(C)OCCOc1ccc(cc1)C2(CC(O)=CC(=O)O2)CCc3ccccc3	5473
+Clc1cc(c(C2C(C(=O)OC)=C(NC(=O)C2)C)cc1)F	3332
+FC(F)(F)c1nc2c(cc1)cc(c(C)n2)C(=O)OC	5474
+c1cc(ccc1F)C2C(=C(C)NC(=O)C2)C(OC)=O	3332
+c1ccccc1COc2c(c(Cl)cc(c2)Cl)C=CC(CC(=O)CC(=O)OC)O	5475
+C=1(N=C2C=CC=C(C)N2C(C=1)=O)C(CC)Br	5476
+OC(CO)CC(=O)OC	95
+c1cc(Cl)c(c(Cl)c1OC(C)C(OCC)=O)C	289
+O(CC)C(C(N1c2cc([N+]([O-])=O)ccc2SCC1=O)C)=O	3333
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3c1ccc(c3)OC(C)C(=O)OCC)C	289
+O(CC)C(C(C)Oc1c(c(c(Cl)cc1C(=O)C)F)I)=O	289
+O(CC)C(C(C)Oc1cc2cccnc2cc1)=O	289
+O(CC)C(C(N1C(COc2cc(C)ccc12)=O)C)=O	3333
+O=C(OCC)C(Oc1cc(ccc1)Oc2ccccc2[N+]([O-])=O)C	289
+c1cc(ccc1CCOC(C)C(OCC)=O)-c2ccc(cc2)Cl	5477
+c1cc(ccc1OC(C(=O)OCC)C)N(c2nc(Cl)c3cc(ccc3c2)Cl)C	289
+c1(F)cc(cc(F)c1)Oc2ccc(cc2)OC(C(OCC)=O)C	289
+c1cc(ccc1OC(C(OCC)=O)C)Oc2ncc3c(ccc(c3)Cl)c2	289
+c1(c(CCC)c(O)nc(n1)C)C(=O)OCC	5478
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CON=C(c4cnccc4)C(OCC)=O	5479
+C(OC(CC1CCCC(C)C1)=O)C	774
+O(CCC1n2c(cc(I)c2)C(NC1)=O)CC	21
+C(OC(NCCS(=O)CC(=O)O)=O)C	3
+C12C(C1)C(c3n(nc(c23)C#N)CC(OCC)=O)=O	955
+C(C(OCC)=O)n1nc(C#N)c2c1C(C3C2C3)O	1262
+CN(C)C=C(n1nnc(C#N)c1)C(=O)OCC	5480
+c1(c(cc(OC(C)c2sc(nn2)N)cc1)Cl)Cl	1087
+CC(C)(C)OC(n1ccc(n1)NC(=O)c2cc(cc(Oc3ccc4c(OCN(C)C4=O)c3)c2)OC(C)COC)=O	650
+[N+]([O-])(=O)c1ccccc1Oc2cc(OC(C(N)=O)C)ccc2	83
+c1cc(cc(CCCC(=O)O)c1OC)C	165
+C(C(c1c(ccc(C)c1)OC)=O)CC(=O)O	3
+CC(C)(C)NCC(O)COc1c(C(CCC(=O)OC)=O)cc(cc1)OC	122
+c1c(c(C(C(Cl)C(=O)OCC)=O)ccc1)F	3334
+c1cc(ccc1Nc2c3cc(-c4ccco4)ccc3nc(n2)-n5cc(c6c5ccc(Br)c6)C(=O)CCC(OC)=O)OC	5481
+C(C(c1cc(C)c(F)cc1)=O)CC(OC)=O	27
+c1(C)cc(C(CCC(OC)=O)O)ccc1F	74
+C(C(c1cc(C)c(cc1)OC)=O)CC(OCC)=O	456
+c1ccccc1Cc2sc(NC(=O)CCC(c3cc(c(OC)cc3)CC)=O)cc2-c4ccccc4	1477
+C1CC1(C(=O)NC(CO)c2cc(Cl)ccc2)Nc3nc(ncc3Cl)Cl	9
+c1(ccc(Cl)cc1-c2ccc(C)n2-c3cc(c(C)cc3)C(=O)O)OCc4cccc(F)c4F	2387
+CCOC(=O)C(C(=O)c1cc(F)c(cc1F)C=2CCN(C(C)=O)CC=2)=COCC	3335
+CC(C)(C)NCC(O)COc1c(cc(NC(C)=O)cc1)C(CCC(=O)OC)=O	122
+O=S(=O)(C)c1ccc(C(CCC(C)=O)=O)cc1F	593
+CC(C)(C)[Si](C)(C)OC(CC=C)CC(c1cc(Br)ccc1)=O	19
+C(C(c1ccc(C)cc1O)=O)CC(OC)=O	167
+C(C(c1ccc(C)cc1OCC2CO2)=O)CC(OC)=O	8
+CC(C)(C)NCC(COc1cc(C)ccc1C(=O)CCC(=O)OC)O	122
+C(C(c1ccc(c(c1)O)F)=O)CC(=O)O	956
+c1c(c(Cl)cc(C2=NNC(CC2)=O)c1)OC	2388
+C(C(c1ccc(c(Cl)c1)OC)=O)CC(=O)O	594
+C(C(c1ccc(F)c(N)c1)=O)CC(=O)O	0
+C(C(c1ccc(c(N)c1)OC)=O)CC(=O)O	0
+O(CC)C(C(C#N)C(C(c1cccnc1F)=O)C)=O	5482
+OC(CCCCl)c1cccs1	2389
+c1cc(ccc1S(=O)(=O)N)-n2cc(C)cc2-c3cc(C)cc(C)c3	5483
+c1(c(cc(C(C)=C)c(C)n1)CN=[N+]=[N-])C	3336
+[N-]=[N+]=NCC(O)C(CC(=O)C)OC(C)=O	152
+O=S(=O)(c1ccc(cc1)C)OCC(O)C(CC(C)=O)O	36
+c1cc(ccc1C)S(=O)(=O)n2ccc3c2ncc(n3)NNC(C4C(CC)CC(C4)NC(=O)C)=O	355
+Nc1ccc(N2CC(NC(C)=O)CC2)cc1-n3ccnc3	0
+O1C(N2C(Cc3cc(ccc23)Br)C1CNC(C)=O)=O	38
+O=S(=O)(Nc1cc(cnc1OC)-c2nn3c(ncc3C#CC(O)C)cc2)c4ccc(cc4)F	5484
+C(C(O)C)Cc1nc(c2c(n1)n(cn2)C)N	5485
+C(C)(Oc1c(Cl)cccc1)c2nnc(N=C=O)s2	775
+C(C)(N1C(NC(=O)c2[nH]cnc12)=S)c3[nH]c4ccccc4n3	3337
+c1cc(ccc1-c2ccc3c(c2)ccc(S(=O)(=O)c4c(cccc4C)C(O)C)c3)F	5486
+C(C)(c1cc2c(c(Cl)c(Cl)c(OCC(=O)O)c2)s1)=O	3
+C(C)(c1cc2cc(O)c(Cl)c(Cl)c2s1)=O	5
+c12nc(Cl)c(cc1cccc2F)C(=O)C	716
+C(C)(c1cc2c(c(Cl)c(Cl)c(OCC(=O)OCC)c2)s1)=O	52
+Cc1ccc(cc1F)C(=O)C	155
+CC(c1ccc2N(C(Sc2c1)=O)COC)c3nc(cs3)-c4nnccc4	3338
+[N-]=[N+]=NC(C)c1cccc([N+]([O-])=O)c1	841
+CN(C)Cc1c[nH]c2cc(Br)ccc12	5487
+CCC(CC)(O)C#CCOS(=O)(=O)c1ccc(cc1)C	2390
+C(C)C(CC)(c1nnc(N)s1)C	1087
+FC1(F)CN(C1)c2c(nc(cc2)C(=O)NC(CC)(CC)C(=O)O)OCC3CC3	3
+C(C)C(CC)(C)C1=CC(C=C1)=C(C)C	5488
+C(C)C(CC)(C)c1ccc(cc1)O	957
+C1CC(CCC1O)C(CC)(CC)C	2391
+O=S(=O)(c1nc(ccc1C2CC2)C(NC(CC)(CC)C(NC)=O)=O)CC(C)C	712
+C(C)C(CC)(C(NC)=O)NC(=O)c1ccc(OC)c(-c2cc(ccc2)Cl)n1	712
+C(C)C(CC)(C(=O)OCC)NC(=O)c1nc(c(N2CC(F)(F)C2)cc1)OCC3CC3	244
+CC(C)(C)C(=O)COc1c(C)cc(C(CC)(CC)c2cc3c(cc(C(=O)OCC)o3)cc2)cc1	717
+CCC(CC)(c1cc(C)c(O)cc1)c2nc3cc(C(=O)OC)ccc3o2	16
+c1cc(ccc1Br)C(CC)(CC)c2ccc(c(C)c2)OCc3ccccc3	22
+c1cc(ccc1C(CC)(CC)c2c[nH]c3c2cccc3N)F	1263
+c1cc(ccc1C=Cc2c(C#N)cc(F)cc2)F	5489
+CCC(CC)(c1cc(c(O)cc1)C)c2cc3sc(cc3cc2)C(OCC)=O	1848
+C(C)c1cccc(CC)c1C(=O)Nc2sc(nn2)C(CC)(CC)C	548
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2sc3ccc(OC)cc3c2)C)=O	717
+C(C)C(CC)Nc1c(nccc1)N2CCN(CC2)C(OCc3ccccc3)=O	2392
+C=1C=CC(C=1)=C(CC)CC	5490
+CCC(CC)Nc1c2n(nc1CC)c(-c3c(OC)cc(C)cc3C)ccc2OC	5491
+c1ccccc1COc2cc(ccc2[N+]([O-])=O)CC(C(=O)CC)C	5492
+c1cc(ccc1C(OC)=O)NC(c2c(c3c(s2)cccc3)C)C(CC)CC	5493
+CCC(CC)C(CO)NS(=O)(=O)c1sc(cc1)Cl	21
+CC(C)(C)OC(N1CCN(CC1)C(c2c(cccc2)F)CNCC(CC)CC)=O	132
+C(C)C(CC)CC(OC(c1ccc(cc1)OC(=O)C)=O)C	279
+c1cc(ccc1C(OC(C)CC(CC)CC)=O)O	173
+C(C)C(CC)CNC(c1ccc2cccc(c2c1)Cc3c(cc(C(=O)OC)cc3)OC)=O	14
+C(C)C(CC)CNC(=O)CN1C=CC=C(NC(=O)OCc2ccccc2)C1=O	9
+CCC(CC)CNC(CN1C=CC=C(N)C1=O)=O	1849
+C(C)C(CC)CNC(c1ccc2cccc(c2c1)Cc3ccc(C(O)=O)cc3OC)=O	1
+O=S(=O)(c1ccccc1C)NC(=O)c2cc(c(Cc3c4c(ccc3)ccc(C(NCC(CC)CC)=O)c4)cc2)OC	258
+C1CN(CCN1c2ccc(cc2)Nc3nc4c(NC(=O)N4C(CC)CC)cn3)C(C)=O	55
+c1cc(ccc1C2C(CC(CC3=NOC(=O)N3)(C(N2C(CC)CC)=O)C)c4cccc(c4)Cl)Cl	3340
+c1cc(ccc1C2N(C(CC)CC)C(=O)C(CC#N)(CC2c3cccc(Cl)c3)C)Cl	143
+CCC(CC)NC(c1ccc(cc1)-c2scc(-c3c(cccc3)Cl)c2CC(OC)=O)=O	1074
+C(C)C(CC)NC(n1c2c(cc1)cc(cc2)Oc3ccnc(NC(Oc4ccccc4)=O)c3)=O	278
+CCC(CC)Nc1ccc(cc1N)C(OC)=O	0
+C(C)C(CC)Nc1nc(c(-c2cc3c(cc2OC)CCC3)nc1CC)CC	356
+c1c(C)c(c(cc1C)C)Oc2c(c(cc(C)n2)NC(CC)CC)[N+](=O)[O-]	136
+C(C)C(CC)n1c2ccc(cc2nc1Cc3sc(cc3)Cl)C(=O)OC	1264
+C(C)C(CC)Nc1nc(ncc1N)Cl	193
+C(C)C(CC)N1C(=O)Nc2cnc(nc12)Cl	3341
+CCC(CC)c1cc(C(=O)OC)cc(n1)OC	5494
+C(C)C(CC)c1c2c(c(Cl)cc1)nc(Cl)n2CCCC(=O)OCC	1088
+CN(C)c1ncc(c(C)c1)Nc2nc3c(c(C(CC)CC)ccc3Cl)n2CCCC(=O)OCC	3343
+C(C)C(CC)c1ccc(Cl)c2nc(n(CCCC(=O)OCC)c12)Nc3c(Br)cc(C)cc3	1494
+C(C)C(CC)c1c2c(nc(Nc3c(cc(OC)nc3)C)n2CCCC(=O)OCC)c(Cl)cc1	3343
+C(C)C(CC)c1c2n3c(nc2c(Cl)cc1)N(c4ccc(cc4Br)C)CCCC3	2393
+C(C)C(CC)c1c2n(CCCCO)c(nc2c(Cl)cc1)Nc3c(cc(OC)nc3)C	44
+C(C)C(CC)c1c2c(nc3N(c4cnc(cc4C)O)CCCCn23)c(Cl)cc1	104
+C(C)C(CC)c1ccc(c2c1n(c(Oc3c(Cl)cc(cc3N(C)C)Cl)n2)C)Cl	79
+C(C)C(CC)c1c2c(nc3N(c4cnc(cc4C)OC)CCCCn23)c(Cl)cc1	2394
+CCC(CC)c1c2n(c(Nc3ccc(Cl)cc3Cl)nc2c(Cl)cc1)CC(=O)OCC	1494
+C(C)C(CC)c1cc(C)nn2c(-c3sc(cc3C)Br)c(nc12)C	407
+CN(C)c1[n+](cc(N2CCCCn3c4c(c(Cl)ccc4C(CC)CC)nc23)c(c1)C)[O-]	103
+c1cc(ccc1F)-c2sc(-c3n4c(nc3C)c(C(CC)CC)cc(C)n4)c(c2)C	5495
+C(C)C(CC)c1c2nc(C)c(-c3sc(cc3Cl)-c4nc(ccc4)C)n2nc(C)c1	5496
+C(C)C(CC)c1c2n(c(Cl)nc2c(Cl)cc1)CC(OCC)=O	5497
+C(C)C(CC)c1c2c(nc(Nc3c(Br)cc(C)cc3)n2CCCCO)c(Cl)cc1	44
+C(C)C(CC)c1ccc(c2nc(n(C)c12)Oc3c(cc(SC)cc3Cl)C)Cl	1850
+C(C)C(CC)c1ccc(c2nc(n(C)c12)Oc3c(cc(cc3Cl)C(O)=O)C)Cl	595
+C(C)C(CC)c1ccc(c2nc(Oc3c(cc(cc3C)S(=O)C)Cl)n(C)c12)Cl	357
+C(C)C(CC)c1ccc(c2nc(n(C)c12)Oc3c(cc(C(=O)N)cc3C)Cl)Cl	169
+CC(C)(C)OC(=O)N1C(Nc2c1cccc2C(CC)CC)=O	5498
+C(C)C(CC)n1c2c(nc1Cc3sc(cc3)Cl)cc(C(O)=O)cc2	1
+C(C)C(CC)n1c(C(=O)N(C)C)cc2cnc(Cl)nc12	147
+c1cc(ccc1C=Cc2c(cc([N+](=O)[O-])c(OCC(CC)CCCC)c2)OCC(CCCC)CC)C#N	1265
+O=S(=O)(c1c(N)cc(Cl)cc1Cl)NC(CNc2ccc(C)cc2C)CC	71
+CCC1(CC)c2cc(ccc2N(C(C)C)C1=O)[N+]([O-])=O	3344
+C(C)C1(CC)c2c(N(C)C1=O)cc([N+](=O)[O-])c(N)c2	106
+CCC1(CC)C(N(C)c2ccc(cc12)NC(C)=O)=O	1089
+C(C)C=CCC=CCC=CCC=CCC=CCCCCOC(CC)C(=O)NCCO	9
+CC(C)(C)OC(NCCNC(C(OCCCCC=CCC=CCC=CCC=CCC=CCC)CC)=O)=O	9
+C(C)C=CCC=CCC=CCC=CCC=CCCCCOC(C(=O)NCCOC(=O)Cl)CC	5499
+c1cc(ccc1C=C(C(CCC)=O)C(OCCC#N)=O)[N+]([O-])=O	2395
+c1c([N+]([O-])=O)cc(cc1C(=O)OCCC(C)(CCC)S)[N+]([O-])=O	279
+c1(c(C#N)c(O)nc(CCC)c1)C	3346
+C(CC)C(CCC)(C(=O)OCC)Oc1c(cc(cc1)Cl)C=C2c3ccc(cc3NC2=O)Cl	1495
+CCCC(CCC)(CO)COC	76
+c1cc(ccn1)-c2cc3c(C(NC(CCC)(CCC)N3)=O)s2	3347
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1NC(=O)CCC)[N+](=O)[O-]	166
+c1c(N)cc(cc1)NC(=O)CCC	0
+Cc1cc(c(c(C)c1)CCCC)O	165
+C1(CCC)CCC(CCC)N1	25
+c1(C(CCCC)N)cc(c(OC)cc1)OC	840
+c1n(CCCCC)c2ccccc2c1C(Cc3c(cccc3)OC)=O	339
+C(=O)(c1cccc2ccccc12)c3c4c(n(CCCCC)c3)ccc(OC)c4	339
+C(CCCC)Oc1cccc(O)c1	8
+c1cc(ccc1F)C(C#N)CCCCC	5500
+C(Cn1nc(c2c1cccc2)C(OC)=O)CCC	1090
+c1cc(ccc1CN(CCCCCC)c2cc3c(OC(C)(C)OC3=O)cc2)C#Cc4ccc(cc4)OC	713
+CCCCCCC1(CCCCCC)c2c(-c3c1cc4C(=O)C(Cc4c3)C)cccc2	3348
+C1CN(CCN1c2ccc([N+]([O-])=O)cc2C=C)C	5501
+C1CC(CCC1)C(NCCc2csc3ccc(cc23)C=C)=O	1496
+C1CN(CCC1Nc2c([N+](=O)[O-])ccc(C=C)c2)C3CCC(CC3)OCCC	651
+C1CC1N2c3c(F)c(F)c(c(C=C)c3C(C(C(OCC)=O)=C2)=O)F	651
+C1CC(CCO1)N2CCC(CC2)Nc3c([N+](=O)[O-])ccc(C=C)c3	651
+CC(C)(C)C(=O)Nc1ccc(C=C)cn1	1851
+CC(C)(C)OC(Nc1ccc(c(c1C(OCc2ccccc2)=O)C)C=C)=O	651
+CC(C)(C)OC(N1CCC1COc2cnc(Cl)c(c2)C=C)=O	1851
+CCCCC1(CCCC)c2ccc(cc2C(O)=C(C1=O)C=3NS(=O)(=O)c4cc(ccc4N=3)C=C)F	1496
+Clc1ccc(CC(OC)=O)c(C=C)c1	1496
+FC(F)(F)Oc1ccc(cc1)-n2ncc3c2ccc4cc(ccc34)C=C	651
+FC(F)(F)C(C)(C)c1c(cc(cc1F)C=C)F	3349
+c1cc(ccc1CC(OCC)C(OCC)=O)C=C	3349
+FC(F)(F)c1c(C#N)ccc(C=C)c1	651
+FC(F)(F)c1c(C)n2c(ccc(C=C)n2)n1	5502
+FC(F)(F)c1ccc(cn1)C=C	1851
+C1CCN(C1)c2nc(C=C)cc(c2)S(=O)(=O)c3ccc(cc3)N	5503
+O=S(=O)(c1ccccc1F)c2cnc(cc2)C=C	1852
+O=S(=O)(n1ccc2c(cccc12)C=C)c3sccc3	5504
+c1([N+]([O-])=O)ccc(C=C)c(C)c1	651
+c12-c3c(cccc3)C(c1cccc2)COC(=O)NC(c4cc5c(c(C=C)n4)c(Cl)ccc5)C	1852
+C(C)OC(=O)c1cc(C=C)c(F)cc1	651
+CC(=O)NCCc1coc2c1cc(cc2)C=C	1496
+c12cc(ccc1nccc2Cl)C=C	651
+C(=C)c1cccc2cc[nH]c12	5505
+c1cc(ccc1)COc2nc(C=C)ccc2[N+]([O-])=O	1852
+c1cc(ccc1-c2nc3n(c2)cc(C=C)c(C)c3)N(C)C	1851
+c1cc(ccc1-c2noc3-c4ccc(cc4CCc23)C=C)CCC	651
+c1cc(ccc1OC)CN(c2nccs2)S(=O)(=O)c3ccc4c(c3)OCCN4c5ccccc5C=C	651
+c1cc(ccc1OC)Cn2c3c(c(ncn3)NC(c4cc5c(c(C=C)n4)c(Cl)ccc5)C)nc2	1852
+c1(SC)nc(C=C)cc(n1)-n2c(C)nc(n2)C	5506
+n1ccc(C=C)c2cc(C#N)ccc12	5507
+C1C(CC1)N2Cc3c(C2=O)c(c4cccc(c4n3)-c5c(cc(F)cc5)C#N)N	5508
+c1ccccc1C=2C(=O)N(Cc3ccccc3)c4c(c(c(C(OC)=O)nc4-c5cccnc5)O)C=2	1853
+c1cc(ccc1)CN2C(C(=Cc3c(c(C(=O)OC)nc(c23)-c4cnccc4)O)Cc5ccccc5)=O	1853
+C(c1ccc(cc1OC)OC)N2c3c(cc(c(-c4occc4)n3)F)C(=O)C(C(=O)OCC)=C2	5509
+N#Cc1ccccc1Oc2c(O)cc(c(-c3ccco3)c2)C	5510
+c1cc(ccc1OC)Cn2cnc3c(nc(nc23)N)-c4occc4	5511
+C(OC(=O)C(C(=O)OCC)c1cnc(c(C)c1)-c2ccnc(C)c2)C	5512
+c1cnccc1-c2nc(C(OC)=O)c(O)c3C=C(C(N(CC4CCCCC4)c23)=O)c5ccccc5	5513
+CC(C)(C)OC(NC1CCCCC1Nc2c(F)c3CN(C(c3c(-c4sncc4)n2)=O)C(=O)OC(C)(C)C)=O	5514
+FC(F)(F)c1cc(Nc2nc(-c3scnc3)cc(N)c2)ncc1	5515
+c1cc(ccc1-c2nccn2C)Cc3c(nc4c(F)ccc(c4c3OC(F)F)OCC(=O)OC)CC	5516
+CC(C)(C)OC(=O)NC1CCCc2c1sc(-c3c(c4c(C(NC(=O)N4C5CC5)=O)cc3F)C)c2	5517
+CC(C)(C)OC(=O)NCCC(=O)OCC(N(CCC)CCC)=O	3350
+C(CC)N(CCC)c1ccc(Br)c2c1n(c(Nc3c(cc(cc3C)C)C)n2)C	1494
+C(C)N(CC)C(=O)C1Sc2c(cccc2)-c3[nH]c4c(cc(cc4)OC)c13	5518
+C(C)N(CC)C(=O)C1Sc2ccccc2-c3n(c4c(cc(OC)cc4)c13)CCF	1854
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N2CCC(CC2)=NOCC(=O)N(CC)CC	5519
+FC(F)(F)c1cnc(Oc2cc(OCC(N(CC)CC)=O)ccc2CCC(=O)OCC)c(Cl)c1	648
+CCN(CC)C(Cc1cccc(Oc2c(F)cccc2)c1N)=O	0
+CCN(CC)C(Nc1c(nn(c1)C2OCCCC2)-c3nc4c(cc(c(c4)NCCN(C)C)F)[nH]3)=O	5520
+C(C)N(CC)C(=O)c1ccc(cc1)C(c2c(cccc2)OC)OC(=O)C	152
+c1(c2c(cc(CCN3C(CO)CC(O)C3)n1)c(C)ccc2)O	5521
+C[Si](C)(c1ccc2c(cccc2)c1C(N(CC)CC)=O)CCl	1091
+CCN(CC)C(c1cnc(c(c1)NC(=O)Cc2ccc(cc2)OCC)NCC=C)=O	308
+C(C)N(CC)C(c1ccc(C(NN)=O)s1)=O	5522
+C1CN(CCN1c2ccc(CN3C(=O)c4ccccc4C3=O)cc2F)C(c5ccccc5)C(=O)N(CC)CC	2397
+C(C)N(CC)C(C(c1ccccc1)N2CCN(CC2)c3c(F)cc(cc3)CO)=O	41
+C(C)N(CC)CCc1c(cc(cc1)[N+](=O)[O-])Cl	15
+CCN(CC)C(N)=C(C(N)=S)C#N	5523
+C(C)N(CC)C(=O)c1cnc(c(N)c1)NCC=C	13
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(C)=NNC(c3ccc(s3)C(N(CC)CC)=O)=O)c2O	2398
+C(C)N(CC)C(c1cnc(nc1)C2(CCN(CC2)CC(CCC)C)c3cccc(N)c3)=O	1497
+C(C)N(CC)C(c1cnc(nc1)C2(CCN(CC2)CC(CCC)C)c3cccc(NS(=O)(=O)C)c3)=O	80
+CC(C)(C)OC(=O)N1CC(CCC1)C(N)=O	3352
+Cc1ccc(c(C(=O)N)c1)[N+]([O-])=O	5524
+O=S(=O)(C)N(S(=O)(=O)C)c1ccc(cc1I)[N+](=O)[O-]	5525
+c1cc(ccc1OC)Cn2ncc3c2cc(cc3)C(COS(=O)(=O)C)OS(=O)(=O)C	5526
+C1SC(SCC1)CCC#CCN(CC)CC	5527
+C(C)N(CC)CC#CCCC=O	24
+C1CCCCC1C(C(OCC#CCN(CC)CC)=O)(c2ccccc2)O	5528
+C(C)N(CC)CC(N1c2cc(ccc2Sc3ccccc13)C(N)=S)C	1855
+CC(C)CNC(c1ccc2Sc3c(N(C(CN(CC)CC)C)c2c1)cccc3)=S	5529
+C(C)N(CC)CC=Cc1cc(ccc1S(=O)(=O)Nc2cc(c3c(OCC4CC34)c2C(O)=O)F)F	1
+CCN(CC)CCCc1cc(F)ccc1S(=O)(=O)Nc2ccc3c4ccoc4cnc3c2C(=O)OC	374
+c1cc(ccc1Cn2c3c(cc2)cc(cc3)OCCCCN(CC)CC)Br	190
+Fc1cccc(F)c1N2C(=O)C=Cc3c(nc(NCCCN(CC)CC)nc23)Cl	306
+Fc1cccc(F)c1N2C(=O)C=Cc3c(-c4cc(C(O)=O)ccc4C)nc(nc23)NCCCN(CC)CC	306
+c1cc(ccc1)-c2cnn(CC(NCCCN(CC)CC)=O)c2	271
+c1cc(ccc1N)OCCCN(CC)CC	0
+C(C)N(CC)CCCc1ccc2c(cc(CO)[nH]2)c1	194
+c1ccccc1-c2cc3c(cc2)C(=Cc4cc5c([nH]4)ccc(CCCN(CC)CC)c5)C(=O)N3	292
+C(C)N(CC)CCCc1ccc2[nH]c(cc2c1)C=O	178
+C(C)N(CC)CCOc1c(cc(cc1)Br)F	72
+C(C)N(CC)CCOc1c(CC(=O)OCc2ccccc2)cccc1	72
+c1cc(ccc1Br)OCCN(CC)CC	72
+CCN(CC)CCOc1ccc(cc1)C(CCC)=O	72
+C(C)N(CC)CCOc1c2c3c(c(ccc3)C)n(Cc4ccc(cc4)F)c2ccc1	72
+c1ccccc1Cn2c3cccc(OCCN(CC)CC)c3c4c2c(F)ccc4	72
+CCN(CC)CCNC(=O)c1cc(C)[nH]c1C=O	56
+CCN(CC)CCNC(Cc1c(c([nH]c1C)C=O)C)=O	9
+CCN(CC)CCNC(=O)c1cc(c(Nc2cncc(-c3ccc(cc3)O)n2)cc1OC)Cl	14
+CCN(CC)CCNC(c1cc(C=C2c3c(Cl)nc(nc3N(C2=O)Cc4ccncc4)N)[nH]c1)=O	56
+Clc1cc(cc(Cl)c1)OC2CCN(C(=O)N(CC)CCN(CC)CC)C2	776
+CC1(C)C(C)(C)OB(O1)c2cc(F)c(cc2)OCCN(CC)CC	17
+C(C)N(CC)CCc1c(Cl)cc(cc1)N	0
+C(C)N(CC)Cc1c(C(O)C)c(c2cc(OC)c(cc2n1)OC)-c3ccc(OC)c(OC)c3	652
+C(C)N(CC)Cc1sc(-c2onc(-c3cc(c(NC(COCc4ccccc4)=O)c(Cl)c3)C)n2)cc1C	26
+C(C)N(CC)N=Nc1c(c(C(O)C)cc(Cl)c1C#C)-c2cc(F)ccc2	74
+C(C)N(CC)N=Nc1c(-c2cccc(c2)F)c(C(=O)C)cc(Cl)c1C#C	5530
+C(C)N(CC)N=Nc1c(c(C(O)=O)cc(Cl)c1C#C)-c2cc(ccc2)F	1
+C(C)N(CC)N=Nc1c(C#C)c(Cl)cc(c1-c2cc(ccc2)F)C(N(OC)C)=O	280
+CC(C)(C)[Si](C)(C)OCCCOc1c(-c2ccc(c(C)c2)N(CC)CC)cc(cc1)-c3ccc(cc3)C(=O)OCC	11
+C(C)N(CC)c1c(C)cc(cc1)B(O)O	281
+CCN(CC)c1nc(cc(C)c1)C(NO)=N	958
+C(C)N(CC)c1cc(cc(C=O)n1)C	3353
+C(C)N(CC)c1cc(C)cc(C#N)n1	5531
+C(C)N(CC)c1ccc(C=Nc2sc(c(c2C(OCC)=O)C(OCC)=O)N)s1	5532
+C[Si](C)(C)C#Cc1ccc(cc1)N(CC)CC	311
+CCN(CC)c1nc(cc(c1)C)C=C	3354
+CCN(CC)c1nc(nc2c1cccc2)N3CCC(CC3)CN	549
+C(C)N(CC)c1nsc(NC(=O)NC)c1C(=O)N	1856
+O=S(=O)(OCCN(CC)c1ccc(c(c1)NC(=O)C)N=Nc2c(cc(cc2)[N+](=O)[O-])OC)c3ccccc3	1226
+c1cc(ccc1Cl)C2=NC=CN(CC)C2=O	5533
+n1cc(cnc1N2CCCN(CC2)CC)C(=O)OC	117
+c1cc(ccc1OCCCCN(CC)CC)C#N	5534
+CCN(CC)C(c1c2ccccc2[nH]c1C(OCC)=O)=O	211
+C(C)N(CC)CCC1(C=CCC=C1)c2ccccc2	123
+C1C2CC3CC(CC1C3)C2NC(=O)c4c(n(C)nc4)N(CC)CC	959
+C1CC(CCN1Cc2ccccc2)(c3cc(OC)ccc3)c4ccc(cc4)C(N(CC)CC)=O	3355
+C1CCCN1c2nc(N(CC)CC)nc(c2)Cl	117
+C1CN(CCC1c2c[nH]c3c(C(=O)N)cc(-c4ccc(cc4)CN(CC)CC)cc23)S(=O)(=O)CC	48
+CCN(CC)Cc1[nH]c(nc1)[N+](=O)[O-]	5535
+c1cccc2nn(nc12)-c3c(c(CN(CC)CC)cc(C)c3)O	1092
+n1c2ccccc2nn1-c3c(c(CN(CC)CC)cc(CCO)c3)O	1092
+CC(C)(Oc1ccc2c(c(C(=O)OCc3ccccc3)c(C)[nH]2)c1)C(N(CC)CC)=O	10
+CC(C)(C)CCN1C(=O)C(C=2NS(=O)(=O)c3cc(NS(=O)(=O)CCN(CC)CC)ccc3N=2)=C(C(=N1)c4cccs4)O	3356
+CC(C)(C)OC(=O)N1CCC(CC1)=C(Br)c2ccc(cc2)C(N(CC)CC)=O	30
+CC(C)(C)OC(=O)Nc1c(cc(c(N(CC)CC)c1)C#N)[N+]([O-])=O	34
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)OCCCCN(CC)CC	28
+CCN(CC)CC=C(C=CCC(CCC=C(C)C)C)C	3283
+CC(C)Oc1ccccc1-c2c(OC)cccc2C(=O)N(CC)CC	30
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4cc([nH]n4)C)[nH]3)CCN(CC)CC	28
+CCN(CC)C(c1c([nH]cc1)C)=O	1858
+C(C)N(CC)C(CCC#Cc1cn(c2c1c(nc(n2)N)Cl)Cc3c(c(c(C)cn3)OC)C)=O	10
+C(C)N(CC)Cc1nc2cc(c(cc2c(c1C(C)=O)-c3cc(c(cc3)OC)OC)OC)OC	596
+CCN(CC)C(=O)c1c(C)cc(OC)cc1	30
+C(C)N(CC)c1nc(cc(C)c1)Cl	43
+FC(F)(F)COc1cc(ccc1CC(OC)=O)OCC(O)CN(CC)CC	170
+FC(F)(F)c1cc(ccc1)N=C2c3ccccc3N(c4ccc(cc4)OCCCN(CC)CC)C2=O	28
+FC(F)(F)c1cccnc1N2CCN(CC2)c3nc(N(CC)CC)nc(-c4ccc(F)c(Cl)c4)c3	117
+CCN(CC)CC(O)COc1cc2nccc(c2cc1C#N)Oc3ccc(c(Cl)c3)N	170
+CCN(CC)C(COc1cccnc1Br)=O	10
+C(C)N(CC)CC(c1c([nH]c(C=O)c1C)C)=O	1498
+CCN(CC)Cc1sc(cc1C)C(O)=O	509
+c1(C)cccc(C)c1N(S(=O)(=O)C)CC(N(CC)CC)C	1499
+CCN(CC)C(=O)c1c(cccc1)Cl	115
+CCN(CC)C(c1ccoc1C)=O	1859
+CCN(CC)C(=O)CCCn1nnnc1C	10
+C(C)N(CC)CCCN1c2c(cccc2)Oc3ccccc13	53
+C(C)N(CC)C(=O)Cc1cccc(Oc2ccccc2F)c1[N+]([O-])=O	10
+CCN(CC)c1cccc(C(=O)Nc2cc(cc3n[nH]cc23)-c4cccc5c4cc[nH]5)n1	43
+C(C)N(CC)C(=O)C1CC(=O)c2c(cccc2)S1	10
+C(C)N(CC)CCCOc1ccccc1-c2c3c(N=C(SCC(=O)OCC)N(C3=O)c4cc(F)ccc4)sc2	53
+C(C)N(CC)CCCCOc1ccc(cc1)C(=O)c2c3ccccc3oc2-c4ccccc4	28
+c1(C)cccc(C)c1N(C(c2ccccc2)=O)CC(C)N(CC)CC	3357
+c1cc(ccc1-c2c(cnn2C)C=CC(Nc3ccc(cc3)CC(N(CC)CC)=O)=O)F	10
+c1cc(ccc1F)-c2nc(CCCC)n(Cc3ccc(cc3)-c4c(C#N)cccc4)c2C(=O)N(CC)CC	777
+c1cc(ccc1C(N(CC)CC)=O)CO	30
+c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=NCCN(CC)CC)(=O)C	28
+c1cc(ccc1SC)C(=O)C2(CCCCC2)N(CC)CC	1860
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCN(CC)CC	123
+c1cc(ccc1NC=C2c3ccccc3NC2=O)OCCCN(CC)CC	183
+O=S(=O)(N(CC)CC)c1ccc(cc1)[N+]([O-])=O	92
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4ccc(cc34)-c5c(CN(CC)CC)ccc(F)c5)N	171
+CCN(CC)Cc1onc(-c2c3C4CCCN4C(=O)c5c(cccc5Cl)-n3cn2)n1	960
+C(C)N(CC)c1nc(nc2ccccc12)Cl	54
+c1cc(ccc1-c2cc3c(cc2)oc(CCN(CC)CCC)c3)C#N	123
+Cc1cc(cc(C)c1-n2c3c(c(C)c2)c(N(CCCC)CC)nc(C)n3)C	778
+CCOB(O)c1cc2c(cc1OC)CCC2	3358
+CCOC(C1=CN=C2N(C1=O)C=Nc3c2cccc3)=O	5536
+c1ccccc1COC(n2ccc3c(OC(C(=O)OCC)C(=O)OCC)cccc23)=O	5537
+c1cc(ccc1)Cc2ccc3oc(C(OCC)=O)cc3c2	5538
+C(Cc1ccc([N+]([O-])=O)cn1)(OCC)=O	2367
+C(C)OC(c1c(O)c2c(c(C)cc(OC)c2)nc1)=O	1861
+CCOC(c1c(O)c2c(c(Cl)nc(C)c2)nc1)=O	5539
+c1(cnc2ccc(OC)cc2c1Cl)C(=O)OCC	5540
+c1c(cc2ncc(c(O)c2c1)C(=O)OCC)Br	1861
+c1ncc(nc1C)C(NC23CC(CCC2)(CC3)C(=O)OCC)=O	312
+FC(F)(F)S(=O)(=O)Oc1n(-c2c(ccc(c2)F)F)nc(c1)C(=O)OCC	5541
+C(C)OC(=O)C=1C(=C(C(=O)N(C=1C)C)C)Nc2c(F)cc(C)cc2	5542
+C(C)OC(C=1C(=C(C(N(C=1CBr)C)=O)C)Nc2c(F)cc(C)cc2)=O	1093
+C1CC1CONC(C=2C(=C(C(=O)N(C)C=2C)C)Nc3c(F)cc(cc3)C)=O	5543
+O(C(=O)C(C(OCC)=O)CCCCCCC=C)CC	1862
+C(OCC)(=O)C(C(OCC)=O)CCCCCCCCCC	1862
+O=C(OCC)C(C(=O)OCC)C(=O)c1c(C)c([N+](=O)[O-])ccc1	2400
+C(c1c2c(ccc1OC)C=C(C(=O)OCC)C(=O)O2)CC	3360
+C(c1c2c(ccc1OCCF)C=C(C(=O)OCC)C(=O)O2)CC	3360
+O(CC)C(=O)C(C(OCC)=O)CC1CCCCC1	1862
+C1CC(CCC1C(=O)C(C(=O)OCC)C(=O)OCC)CCC	3259
+C1CC1COc2c([N+]([O-])=O)ccc(C(C(OCC)=O)C(OCC)=O)c2	1266
+CC(C)CN1c2ccccc2C(O)=C(C1=O)C(OCC)=O	3361
+CC1(C)Cc2c(c(c(C3CC(=O)C=C(O)C3)c(c2O1)Cl)C)C	5544
+C1(CC(CC(=O)C1)c2c(F)ccc(C)c2)=O	5545
+Cc1c2cc(C(=O)OCC)c(O)nc2nc(OC)n1	5546
+O=C(OCC)C(C(=O)OCC)c1c(cccn1)Cl	3362
+O(CC)C(=O)C(C(OCC)=O)Cc1c(cccc1Br)Cl	2401
+Clc1ccc(c(-c2oncc2CCC(OCC)=O)c1)Cl	2402
+CCOC(=O)C(C(=O)OCC)C(=O)c1c(F)c(OC(F)F)c(c(F)c1)F	2400
+O=C(OCC)C(C(=O)OCC)C(=O)c1cc(F)c(cc1Br)F	2400
+CCOC(C=1C(N(C)C(C)=CC=1O)=O)=O	5547
+O(C(=O)C(C(OCC)=O)CC(CCCCC)c1c2OCOc2ccc1)CC	5548
+O=C(OCC)C(C(=O)OCC)c1ncc(cc1Cl)Br	3362
+O(CC)C(=O)C(C(OCC)=O)c1cc(c(nc1)Cl)C	5549
+c1c(cc(C)c(NC(CC(OCC)=O)=O)c1)Br	5550
+O(CC)C(=O)C(C(OCC)=O)c1cc(c([N+]([O-])=O)cc1)OC	1266
+c1c(ccc(-c2oncc2CCC(OCC)=O)c1F)F	2402
+O(C(=O)C(C(OCC)=O)c1c(ccc(F)c1)[N+](=O)[O-])CC	1266
+C1CC(CCO1)(C(=O)C(C(=O)OCC)C(=O)OCC)c2ccccc2	3363
+c1cc(ccc1OCCC(C(OCC)=O)C(OCC)=O)Br	1862
+O(C(=O)C(C(OCC)=O)Cc1cccc(Cc2nc(oc2C)-c3ccc(cc3)C)c1)CC	2401
+c1cc(ccc1CN2C(C3=C(C=N2)C=C(C(=O)N3C)C(OCC)=O)=O)OC	5551
+c1cc(ccc1F)CN2C(=O)C(=C(c3ccccc23)O)C(OCC)=O	3361
+c1cc(ccc1SC)C2CC(C=C(O)C2)=O	5552
+c1nc(ncc1Br)NC2CC(CC)N(C(=O)OCC)c3ccc(OC)nc23	96
+O(CC)C(=O)N1CC(N(CC1C)CC=C)C	1863
+C1CCC(C1)Oc2c(OC)cc3c(C=CN(C(=O)OCC)C3Cc4cccc(OC)c4)c2	313
+O1CCOC12CCN(C(OCC)=O)CCC2	381
+c1cc(ccc1)CNC2CCN(C(OCC)=O)CCC2	87
+c1cc(ccc1)CN2CCN(CCC2)C(=O)OCC	131
+N1(Cc2sc3c(c2C1)c(ncn3)Nc4cc(c(cc4)Cl)Cl)C(OCC)=O	1500
+C(C)OC(=O)N1Cc2c(C1)sc3c2c(ncn3)Cl	779
+C(C)OC(n1c2c(cc([N+]([O-])=O)cc2)c(n1)OC)=O	5553
+C(c1c(C(=O)OCC)cc(OC)cc1)Br	29
+O=S(=O)(CCC)Nc1ccc(Cl)c(C(OCC)=O)c1F	80
+C1COCCN1c2nc(N(CC)C)c(C(OCC)=O)c(c2)C	43
+COc1cc2c(N)c(cnc2cc1)C(=O)O	6
+C(C)OC(=O)c1c(N)ccc(-c2cnn(CCCCO)c2)n1	1864
+Nc1c(C(NC)=O)nc(cc1)Br	780
+FC(F)(F)c1ccccc1-c2c([nH]c(C(=O)OCC)c2C)C	550
+c1(csc(c1C)C)C(=O)OCC	5554
+c12CCCC(c1scc2C(=O)O)=O	6
+c12ccc(C#N)cc1[nH]c3c2c(ncn3)O	3364
+c1c(C)c(ccc1CO)Br	217
+C1CC1c2c(ccc(C(OCC)=O)c2)F	3365
+CCCCc1n[nH]c(C(=O)O)c1	6
+c1c(C(=O)O)ccc(C)c1OCOC	6
+c1c(c(F)ccc1CO)Oc2cnccn2	217
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(Nc4c(cc(cc4)C(OCC)=O)F)=O)C5CCCCC5	33
+CC(C)(C)OC(=O)N1CCC(CC1)COc2ccc(cc2OC)C(=O)OCC	267
+O=C(N1C(C)CCC1)c2n3CCOCc3c(c2)C(=O)O	6
+C(C)OC(=O)c1cc(n2CCOCc12)C(=O)N3C(C)CCC3	147
+FC(F)(F)c1c(n2c(cc(C(OCC)=O)cc2Cl)n1)CC3CCC(CC3)(F)F	5555
+CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c2c(n[nH]c2C)-c3[nH]c4cc(C(OCC)=O)ccc4n3	597
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(c(C)c4c3ccc(C(=O)OCC)c4)C)=O	190
+C(c1cc2c(cc1)cccc2[N+]([O-])=O)(=O)O	6
+c1c2cc(n3c2c(CC3)cc1)C(=O)O	6
+c1cc2nc(SC)sc2cc1CO	217
+CC(C)(C)OC(Nc1ccc(C(=O)OCC)cc1[N+](=O)[O-])=O	150
+C(C)OC(=O)c1ccc(N)cc1F	0
+c1([N+]([O-])=O)cc(C(=O)O)ccc1NCCOC	6
+NNC(c1ccc(c(c1)O)C)=O	1094
+c1c(C)c(c(cc1)C)COc2cc(ccc2F)C(=O)OCC	139
+C(C)OC(=O)c1cc(c(F)cc1)Oc2cnccn2	842
+c1(-c2csc(n2)-c3cnccc3C)cc(C(=O)O)ccc1	6
+CC(C)(C)OC(CC(c1cccc(-n2ccnc2SCOC)c1)=O)=O	2403
+C1CN(CCN1)c2cc(ccc2)C(=O)OCC	386
+CC(C)(C)C(CN1C(C(CN(C2CCCCC2)c3ccc(C)cc13)NC(Nc4cc(ccc4)C(=O)OCC)=O)=O)=O	5556
+Clc1ccc2c(Nc3cccc(C(=O)OCC)c3)c(cnc2c1)C(=O)N	179
+c1c(F)c(c(cc1)F)C(=O)Nc2cccc(c2)C(OCC)=O	50
+COc1cccc(c1)C(CC#N)=O	5557
+Clc1ccc2c(n(cc2Sc3cc(ccc3)C(=O)OCC)-c4cn(CCC)nc4)c1	5558
+C(C)OC(=O)c1cccc(-c2ccc(N)c(Br)n2)c1	408
+C(C)OC(=O)c1cccc(c1)-c2ccc(N)cn2	13
+C[Si](C)(C)C#Cc1cccc(C(OCC)=O)c1	311
+FC(F)(F)c1c2c(c(n(Cc3c(cc(cc3F)F)F)n2)-c4cc(ccc4)C#Cc5cccc(C(=O)OCC)c5)ccc1	129
+O(C(=O)Nc1cccc(C(Cc2ccnc(Cl)n2)=O)c1)CC=C	1501
+c1cc(ccc1Oc2cc(C(OCC)=O)ccc2)OCC	304
+C(C)OC(=O)c1cccc(c1)Sc2c3c([nH]c2C)c(F)c(Cl)cc3	1502
+Clc1ccc2c(Sc3cc(ccc3)C(=O)OCC)c([nH]c2c1)C	1502
+CC(C)(C)[Si](C)(C)OCCn1ncc(c1)-n2c3c(c(Sc4cccc(c4)C(OCC)=O)c2C)ccc(c3F)Cl	1865
+O=C(N)c1nccc(CO)c1	217
+C(O)c1ccnc2ccc(OC)cc12	217
+C(OCc1ncccc1)c2cc(ccc2)-n3cnc(C(=O)OCC)c3	2404
+C1CC1Nc2ccc(C(=O)OCC)cn2	70
+O=C(c1cnc(cc1)Cl)N2CCNCCC2	1858
+CC(C)(C)OC(=O)Nc1ncc(C(=O)OCC)cc1	718
+c1(CO)sc(NC(=O)C)nc1	1503
+c1(n(C)nc(CC)c1Cl)C(=O)OCC	5559
+CCc1c(Cl)nc(C(=O)O)[nH]1	6
+C1CN(CCC1(F)F)C(c2csc(C(OCC)=O)n2)=O	837
+n1cc(Br)n2c1cnc(C(=O)O)c2	6
+s1c(c(c(Br)c1C(=O)O)C#N)Br	6
+CC(C)NC(=O)c1nc(Cl)sc1C(=O)OCC	2405
+c12c(c(C(=O)O)sc1ncnc2O)C	6
+c1cc(ccc1)C(C)(C)NC(=O)c2cc3c(n(C(=O)OCC)nc3NC(=O)c4c([N+]([O-])=O)cccc4)s2	227
+FC(F)(F)c1c2c(on1)c(CCC)c(cc2)OCCCOc3ccc4c(OC(CC)(C(OCC)=O)CC4)c3	8
+C(C)OC(C1=C(N=C(NC1c2ccc(cc2Cl)F)c3nccnc3)CBr)=O	1093
+C(C)OC(C=1C(NC(=NC=1CN2C(COCC2)C(=O)O)c3nccnc3)c4ccc(cc4Cl)F)=O	3366
+C(C)OC(C=1C(NC(c2sccn2)=NC=1CN3CCOC(C)C3C(=O)O)c4ccc(cc4Cl)F)=O	3366
+c1cc(ccc1Cl)CNC(C2=CN3c4c(cc(I)cc4C2=O)OCC3)=O	1267
+C1(=O)C(C(=O)OCC)=CN(c2cc3c(N(C(S3)=O)C)cc2)C(=O)N1C4c5cccc(c5CC4)OC	3367
+C(C)OC(=O)C=1C(=C(C(=O)N(C=1C)C)C)Cl	5560
+C1CN(CCN1c2c3OC(C(=O)OCC)=CC(=O)c3cc(OC)c2)CCOC	79
+O1c2c(C(=O)CC1C(OCC)=O)ccc(c2)O	3351
+C(C)OC(C=1Sc2ccc(cc2C(=O)C=1)OCC=C)=O	220
+C=CCOc1cc2c(SC(C(=O)O)=CC2=O)cc1	108
+O=C1N2C(C(CNCC2)NC(=O)c3ccccn3)=NC(=C1)c4ccncn4	215
+C(C)OC(N1CC(C=2N(C(=O)C=C(N=2)c3ccncn3)CC1)NC(=O)c4ccccn4)=O	2406
+C1N(C)c2c3N(C1)C4C(CN(C(=O)OCC)CC4)c3ccc2	15
+Clc1c2CCN(CCc2ccc1N)C(OCC)=O	0
+C1(CCc2ccc3c(c12)CCN(CC3)C(OCC)=O)O	74
+c12CCNCCc1ccc3CCC(OC)c23	215
+C(C)OC(N1Cc2c3cccc([N+]([O-])=O)c3n(C)c2CC1)=O	144
+C(C)OC(N1Cc2c3cc(C)ccc3n(CC4CO4)c2CC1)=O	339
+c1(cccc(OC)c1)NCC(Cn2c3CCN(Cc3c4cc(C)ccc24)C(=O)OCC)O	843
+C(C)OC(N1Cc2c3c(c(N)ccc3)n(C)c2CC1)=O	13
+C(C)OC(OCC)c1ncc(C(OCC)=O)c(n1)C	5561
+CCOC(OCC)C(NCc1cccc2cccnc12)C	249
+c12c3c(cccc3)ncc1nc(CCC)n2CCCC=O	598
+c1cc(ccc1C)NC(CC2(NC(Nc3cccc(c3)OC)=O)C(N(c4ccccc24)CC=O)=O)=O	598
+C(C)OC(OCC)CN1c2c(cccc2)C(CC(Nc3ccc(cc3)C)=O)(NC(Nc4cccc(c4)OC)=O)C1=O	33
+O(CC)C(OCC)CNCCCCCCNCc1ccc(cc1)C=C	42
+c1ccccc1COCC(CC=C)OCC=O	598
+ClC(Cl)=CCOc1cc(CC)c(c(c1)CC)OCCCCOCC=O	598
+Clc1cc(cc(Cl)c1OCc2ccccc2Cl)OCC=O	598
+CCOC(OCC)Cn1c(Nc2c(C)c(cc([N+](=O)[O-])c2)C)cc(-c3cnccc3)n1	781
+C[Si](C)(C)C#Cc1ncc(C(OCC)OCC)cc1	961
+O(CC)C(OCC)c1ncc(c(C)n1)C(O)=O	6
+CN(C)CCNC(=O)Cc1[nH]cc(C)c1C(=O)OCC	9
+c1(-c2ncccc2)cc(c[nH]1)C(=O)OCC	1866
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2nc(ncc2C(OCC)=O)Cl	40
+C(C)OC(c1c(nc(Cl)nc1)Nc2cccc3n(ccc23)C)=O	73
+C(Nc1nc(Cl)ncc1C(=O)OCC)c2cnn(C)c2	40
+C(C)OC(c1c(nc(Cl)nc1)NC(C)c2ncc(cc2)F)=O	40
+CC(C)(C)CCN1N=C(C(=C(C(=O)OCC)C1=O)O)c2sccc2	3368
+CC(C)(CCN1N=C(c2sccc2)C(=C(C(=O)OCC)C1=O)O)CC	3368
+c1(N)c(cc(c(O)c1C)C(=O)O)C#N	6
+c1(cnc2cc(ccc2c1Cl)F)C(=O)OCC	120
+Oc1c(cnc2ccc(C)nc12)C(=O)O	6
+C(C)OC(c1c([nH]c(-c2cc(ncc2)C=Cc3cccnc3)c1)N)=O	2407
+n1c(C=Cc2cccnc2)cc(-c3cc4c(ncnc4[nH]3)O)cc1	5562
+c12c(c(I)ccc1)ncc(c2O)C(=O)O	6
+Cc1cc(cc(C)c1Cl)OCCCc2c(C(=O)OCC)[nH]c3c(Br)cccc23	20
+C(C)OC(=O)c1c(N(C)CC)nc(cc1C)Cl	43
+c1ccccc1C=Nc2cc(c(cc2)O)C(=O)OCC	457
+C(C)OC(c1cc(ccc1Br)O)=O	5
+c1c(-c2ccc(cc2C(OCC)=O)NC(C)=O)c(ccc1)Br	11
+C(c1c(cccc1C)O)(=O)O	6
+n1c(NC(C)c2ncc(cc2)F)c(cnc1Cl)C(=O)O	6
+n1c(Nc2cccc3n(ccc23)C)c(cnc1Cl)C(=O)O	6
+CCc1c(C(=O)O)con1	6
+C1CC1COc2c(ccc(F)c2)-c3ncnc4c(C(=O)OCC)c([nH]c34)C	3369
+C(C)OC(c1c2c(c(ncn2)Cl)[nH]c1C)=O	1268
+Clc1cc(ccc1)Nc2ncc(c3c2ccn3CC)C(=O)OCC	1504
+CC(C)(C)OC(=O)Nc1sc2ccc(nc2c1C(OCC)=O)Cl	2408
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3cc4c(c(n[nH]4)C(=O)OCC)cc3	1505
+C(O)c1c2ccc(cc2oc1)F	5563
+C1COCCN1C(=O)c2n3c(c(C(=O)OCC)c2C)cccn3	147
+CN(C)C=CC(=O)c1cc(c[nH]1)C(=O)OCC	2409
+CCOC(c1cc([nH]c1)-c2n[nH]c3c2cccn3)=O	2410
+C1CC1COc2c(cc(C(=O)C)cc2)-c3c4[nH]cc(C(OCC)=O)c4ncn3	3369
+CCOC(c1c(c(Br)[nH]c1)C)=O	653
+c1c(C)ccc(-c2cc(nn2-c3cccnc3)C(=O)O)n1	6
+c1c(C)ccc(-c2cc(nn2-c3ncccc3)C(=O)O)n1	6
+c1c(C(=O)C)ncnc1Cl	1867
+c1ccccc1C(Nc2c(O)cc(c([N+](=O)[O-])c2)C(=O)OCC)=O	50
+O=S1(=O)CCCC(C1)c2c3cc(cc(c3[nH]c2)C(OCC)=O)Br	5564
+CC(C)C1CC(CCS1)c2c3cc(cc(c3[nH]c2)C(OCC)=O)Br	5565
+c1cc(ccc1COc2cc(C(OCC)=O)c(-c3cc(OC)ccc3F)cc2)OC	139
+C(C)OC(c1cc(ccc1-c2cc(OC)ccc2F)O)=O	11
+c1ccccc1COc2ccc(O)c(c2)C(=O)OCC	139
+CC(C)(C)OC(=O)N1CC2CN(CC2C1)c3cc(C(OCC)=O)cnc3	244
+[N+]([O-])(=O)c1cc(c(-n2c(C)cc(n2)C(=O)OCC)cc1)C(=O)N3Cc4ccccc4CC3CO	30
+c12c(c(ncn1)O)cc(CC)s2	1868
+c1cc(cn2C(c3c(N=c12)sc(CC)c3)=O)C(=O)N	3370
+Cc1c(cc2CCCCC(c2n1)OC(C)=O)C(=O)OCC	174
+c1c2c(cccc2n(c1C(=O)OCC)Cc3ccc(c(c3)Cl)Cl)[N+]([O-])=O	962
+C(C)OC(c1cc2c(cc(C)cc2OCC3CO3)[nH]1)=O	72
+CC(C)(C)NCC(O)COc1cc(cc2c1cc(C(OCC)=O)[nH]2)C	122
+C(C)OC(c1cc2c(ccc(c2)C(=O)N)[nH]1)=O	216
+C1CC1(C(=O)Nc2cc3cc(C(=O)OCC)[nH]c3cc2)c4cc5OCOc5cc4	33
+c1cc(ccc1)-n2c3ccc(cc3cc2C(=O)OCC)[N+]([O-])=O	3371
+c1(cc2c(ccc([N+]([O-])=O)c2)nc1O)C(=O)O	6
+c1c2c(ccc(c2)C(=O)N)[nH]c1C(=O)O	6
+C1CCC1COc2cccc3[nH]c(C(OCC)=O)cc23	126
+c1(c2cc(C(=O)O)[nH]c2ccc1)OCc3c4ccc(cc4oc3)F	6
+c1(c2cc(C(=O)O)[nH]c2ccc1)OCc3cocc3	6
+c1(C(=O)O)cc2c(cncc2Br)nc1	6
+FC1(F)CCN(CC1)c2cncc3ncc(cc23)C(=O)OCC	3372
+C(C)OC(c1n(c2c(c(Cl)ccc2N)c1)COC)=O	3373
+O=S(=O)(c1cccs1)Nc2c3n(COC)c(cc3ccc2)C(=O)OCC	2412
+c12[nH]c(cc1cc(cc2N)OCCOC)C(=O)OCC	13
+c12cc(n(c1c(cc(c2)F)Br)C)C(=O)OCC	144
+c1c2cc(ccc2[nH]c1C(=O)O)OCCSC	6
+C(C)OC(c1cc2cccc([N+]([O-])=O)c2n1COC)=O	3374
+C(C)OC(c1cc2c(n1COC)c(N)ccc2)=O	13
+Nc1c(C)c(c(cc1)C(=O)O)F	6
+[N-]=[N+]=Nc1c(C)c(c(cc1)C(=O)OCC)F	1870
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(-c4ccccc4)n5nc(ccc5n3)C(=O)OCC	2413
+C(C)OC(c1cccc(F)c1CBr)=O	29
+CCOC(=O)c1cccc(F)c1COc2cccc(F)c2	22
+Cc1cccc(C)c1COc2c(C)c(ccc2)C(=O)OCC	139
+n1cccc(-n2cc(c(Cl)n2)C(=O)O)c1	6
+n1n2c(sc1CC)nc(C(=O)O)c2	6
+C(C)OC(c1c(COC)c2n(c1)ncc(C#N)c2Cl)=O	5566
+C(C)OC(c1cnc(c2c(COc3cc(ccc3C)NC(c4ccc(NCCO)c(Cl)c4)=O)csc12)N)=O	1871
+c1n(C)c2c(cnc(Cl)c2n1)C(=O)O	6
+Clc1cc(ccc1)Nc2ncc(c3c2ncn3C)C(=O)OCC	3375
+c1(cc(ccc1)Nc2ncc(c3c2ncn3C)C(=O)OCC)Br	3375
+c1(C(=O)O)cnc(c(C)c1)Nc2ccc(C)nc2	6
+c1(NCCO)c(Cl)cc(C(Nc2cc(c(C)cc2)OCc3c4c(sc3)c(cnc4N)C(=O)O)=O)cc1	6
+CCOC(c1c(c2CC(CCc2nc1)O)O)=O	100
+C(C)OC(c1cc2c(cncc2Br)nc1)=O	3376
+c1cc(cc2ncc(cc12)C(=O)OCC)NC(c3c(cccc3)Br)=O	50
+NNC(=O)c1cncc(-c2cnc(NC(NCC)=O)cc2Br)c1	1872
+C(=O)(c1cnn(-c2[nH]c3cc(c(Cl)cc3n2)Sc4cc(C)ccc4)c1)O	6
+C[Si](C)(C)CCOCN1C(c2c(N=C1n3ncc(C(OCC)=O)c3)ccc([N+](=O)[O-])c2)=O	5567
+C(=O)(c1cnn(C)c1)O	6
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)OCC)n2	187
+C1COCCN1c2nn3cc(ccc3n2)NC(c4n(ncc4C(=O)OCC)C)=O	510
+CN(C)c1nn2c(n1)cc(cc2)NC(=O)c3c(cnn3C)C(=O)OCC	187
+c1(cc(ccc1)OC)-c2nc3n(ccc(c3)NC(c4c(cnn4C)C(=O)OCC)=O)n2	187
+c1cc(ccc1)-c2nc(CCNC(=O)c3n(C)ncc3C(OCC)=O)c(C)o2	81
+FC(F)(F)c1cc(ccc1)-c2nc(on2)Cn3cc(C(=O)OCC)cn3	2383
+c1(cccc(-c2csc(Cn3ncc(c3)C(=O)OCC)n2)c1)Br	963
+C(C)OC(c1cnn(CC(N)=S)c1)=O	3378
+c1c2c(ccc1O)c(cs2)C(=O)OCC	5
+c1(nccc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)n1)N	511
+c1(cc(Oc2ccccc2[N+]([O-])=O)cc3n(C)c(cc13)C(=O)OCC)Cl	46
+O=S(=O)(Nc1ccc(Cl)c2cc(n(COC)c12)C(OCC)=O)c3cccs3	2412
+c1c2n(C)c(cc2c(cc1)O)C(=O)O	6
+c1cc(ccc1C(c2n(CC)c(C(OCC)=O)cc2C)=O)CCl	1873
+CC(C)(C)NC(=O)c1nnc2cnccn12	1506
+O=Cc1ccc2ncc(n2c1)C(=O)OCC	5568
+CCc1cccc(CC)c1NC(=O)N2Cc3[nH]nc(c3C2)C(OCC)=O	326
+c1cc(ccc1-c2nc(C(=O)OCC)n3ccccc23)F	5569
+c1c(cnc(c1)NC(c2nc(CC)cc(Br)c2)=O)F	5570
+C(C)OC(c1nc2n(cc(-c3[nH]nnc3)cc2)c1)=O	3235
+C1CN(CCN1)c2nn3cc(C(=O)OCC)nc3cc2	212
+CC(C)NC(c1[nH]c(C(=O)OCC)nc1)=O	312
+c1(nc(ccc1C)Cl)C(Nc2c(c(ncc2C)C(=O)OCC)C)=O	187
+C(C)OC(c1ncc(C)c(N)c1C)=O	0
+C(C)OC(=O)c1nc(Cl)c(CC)[nH]1	844
+n1n(C)c(CC)cc1C(=O)O	6
+CC(C)(O)c1cccc(n1)Nc2c(nnc(c2)Cl)C(OCC)=O	845
+CC(C)c1c(nc(cc1)Nc2c(nnc(c2)Cl)C(OCC)=O)OC	845
+CN(C)c1c(ccc(Nc2c(nnc(Cl)c2)C(OCC)=O)n1)C	845
+FC(F)(F)c1cccc(Nc2c(nnc(c2)Cl)C(OCC)=O)n1	845
+c1(nc(Nc2c(nnc(Cl)c2)C(=O)OCC)cc(C)c1)C	845
+c1ccc(nc1Nc2cc(nnc2C(=O)OCC)Cl)OCC	845
+c1c(c(cc(-c2noc(C(=O)OCC)c2)c1)C)OCCc3cc4C(=O)N(c5c(N(c4nc3)CC)nccc5)C	126
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(c3sc(cc3)C(=O)OCC)C)C	20
+C(CCCCCCCCCC(Nc1sc(C(=O)OCC)cc1)=O)CCCCC	2414
+C(C)OC(c1sc(cc1)N)=O	2415
+c1(c2cc([N+]([O-])=O)ccc2[nH]n1)OC	5571
+CC(C)(O)Cn1c(COCC)nc2c1c3ccccc3nc2	5572
+c1cc(ccc1C)C=C(OCC)C(OCC)=O	5573
+C(C)OCc1n(CC#C)c2c(n1)c(nc3c2cccc3)Cl	5574
+C(C)OCc1n(c2c(n1)c(nc3c2cccc3)Cl)Cc4cc(C)no4	5575
+C(C)OCc1n(c2c3c(cccc3)nc(N)c2n1)Cc4cc(C)no4	3379
+c1ccccc1NC(NCCCNn2c3c(c(N)nc4c3cccc4)nc2COCC)=O	282
+C(C)OCc1n(NCCCNC(NCC)=O)c2c(c(N)nc3CCCCc23)n1	5576
+CN(C)CC=CC(Nc1cc2c(ncnc2cn1)Nc3ccc(Cl)c(c3)C#C)=O	5577
+c1(cc(cc(C)c1OCOCCOC)C=CC=CC(OCC)=O)C	5578
+CCOP(OCC)(=O)CCCN1C(=O)C(=C(O)c2ncc(cc12)Cc3ccc(cc3)F)C(OCC)=O	3380
+O(CC)P(OCC)(=O)CCc1ccnc(C=2Sc3c(ccc(Cl)c3)C(N=2)=O)c1	2416
+O(CC)P(OCC)(COCCCONc1nc(nc(Cl)c1NC=O)NC=O)=O	3381
+C(C)OP(OCC)(=O)COCCCOn1c2c(nc1)c(N)nc(N)n2	5579
+C(C)OP(OCC)(=O)COCCCOn1c2c(c(N)nc(NC=O)n2)nc1	1095
+C(COn1cnc2c(ncnc12)N)OCP(=O)(OCC)O	228
+C(C)OP(OCC)(=O)COCCOn1c2c(nc1)c(ncn2)N	1095
+c1ccccc1COC(CC(C)(C)c2c(ccc(P(OCC)(=O)CP(OCC)(OCC)=O)c2)O)=O	283
+C1CC(CCN1Cc2ccccc2)=Cc3ccc(cc3)C#N	846
+C(C)OP(OCC)(c1cc2c(cc1)c(C(N)=O)nn2CC(=O)N3CC(CC3C(NCc4c(F)c(ccc4)Cl)=O)F)=O	247
+CCOP(OCC)(c1cc(-c2sccc2P(OCC)(OCC)=O)sc1)=O	3382
+O=C(OCC)C(C)=Cc1cc(Br)cc2CCCN(C)c12	1096
+O=C(OCC)C(C)=Cc1c(ccc(c1)Br)N2C(C)CCC2	1096
+c1cc(ccc1C=C(C)C(OCC)=O)C	1096
+c1cc(ccc1C=C(C)C(OCC)=O)CCc2n3cncc3ccc2	1096
+c1cc(ccc1CC2=C(n3c(ncn3)N(C2=O)C4CCC(CC4)=CC(=O)OCC)CCC)-c5ccccc5C#N	1874
+CC(C)(C)OC(=O)NC(CCc1ccc(cc1)OCCCCCCC)(C)C=CC(=O)OCC	1875
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2c(C=1c3ccccc3)cc(C=CC(=O)OCC)cc2)=O	1097
+CC(C)(C)[Si](C)(C)OCC1C(CC)CC(C1)=CC(OCC)=O	1874
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)C=CC(=O)OCC	1875
+CC(C)N1CCCc2cc(ccc12)C(C)=CC(=O)OCC	3383
+CC(C)Oc1nn(c(C=CC(=O)OCC)c1)Cc2ccc(cc2Cl)Cl	2417
+C1C(C)CC(CC1=CC(OCC)=O)C	1874
+FC(F)(F)c1ccc(cc1)CCC(OCC)=O	5580
+FC(F)(F)c1ccc(nc1)-n2cc(C=CC(=O)OCC)c(CCC)n2	3384
+FC(F)(F)c1cnc(cc1)-n2nc(C(C)C)c(c2)C=CC(=O)OCC	3384
+O(CC)C(C=Cc1c2c(nn(C)c2)c(F)cc1)=O	1097
+O(CC)C(C=Cc1ccc(cc1F)OC)=O	1097
+COc1c(OC)c(cc2cc(ccc12)C=CC(OCC)=O)OC	1097
+c1ccccc1CCC(=CC(=O)OCC)C	1874
+c1ccccc1-c2cn(Cc3cc4c(cc3)cc(cc4)OCc5ccccc5)cc2C=CC(OCC)=O	3385
+c1cc(ccc1)S(=O)(=O)N2CCN(C(OCc3ccccc3)=O)CC2CCC=CC(=O)OCC	1875
+c1cc(ccc1F)C(c2ccc(cc2)F)=CC(OCC)=O	5581
+C1CC(CCC1)(c2ccc(cc2)F)C=CC(OCC)=O	1875
+c1cc(ccc1Cn2cc(-c3ccccc3)c(C=CC(OCC)=O)c2)OCc4ccccc4	3385
+c1ccccc1C(CC)Oc2c(cc(C(C)=CC(=O)OCC)cc2)[N+]([O-])=O	3383
+c1ccccc1CCOc2ccc(Cl)cc2C=CC(OCC)=O	1097
+c1ccccc1COc2cc3c(c(nn3C4OCCCC4)C=CC(=O)OCC)cc2	2417
+c1ccccc1Cn2nc(cc2C=CC(=O)OCC)OCCC	2417
+O(CC)P(OCC)(CCCN)=O	18
+O(CC)P(OCC)(CCC=1C=C[N+](C(=C=[N-])C=1)=O)=O	1269
+c1n(c2c(c(ncn2)N)n1)OC(COCP(=O)(OCC)O)CO	228
+C(C)OP(OCC)(=O)COCCOn1c2ncnc(Cl)c2nc1	1876
+CC(C)(C)OC(=O)NC1CCC(CC=Cc2c3c(ccc(OC)c3F)ncc2Cl)OC1	3386
+c1cc(ccc1CP(OCC)(=O)O)OCC2(CCCCC2)C	228
+n1(nc(c2ccc(P(=O)(O)OCC)cc12)C(=O)N)CC(N3CC(F)CC3C(NCc4cccc(Cl)c4F)=O)=O	228
+C(C)Oc1cc(cc(OCC)c1-c2ccc(cc2)F)CN3CCC4(CC3)CC(=O)N(c5ccc(cc5)C#N)C4	654
+O(CC)c1cc(cc(OCC)c1-n2cccc2)CO	217
+C(Sc1ccccc1CO)C	98
+CC[Si](CC)(CC)OC(CC)(CC)CCC=C(CC)c1cc(Br)cs1	655
+[N+]([O-])(c1cc(cc(c1N)CC)[N+]([O-])=O)=O	5582
+CC(C)(C)OC(N1CCC(CC1)COC2CC2)=O	3387
+O=Cc1cc(CC)cc(C(=O)O)c1	5583
+C1CC1Oc2c(cc(cc2)Br)Cl	3387
+c1ccccc1-c2c(CC)nc3c(c2Cl)cc(F)cc3	5584
+C1N(CC1N2CC(NCC2)=O)Cc3sc4nc(-n5c6ccccc6nc5CC)nc(N7CCOCC7)c4n3	1098
+C1N(CC1(C)O)CCc2nc3c(N4CCOCC4)nc(-n5c6c(nc5CC)cccc6)nc3n2C	1098
+C(C)c1c(cc(Oc2c(cc(C(N3CC(=O)NCC3)=O)cc2)F)c(c1)OC)F	3388
+C(C)c1c(cc(Oc2c(F)cc(C(=O)O)cc2)c(c1)OC)F	5585
+C(C)c1c(cc(c(O)c1)Oc2c(cc(C(N3CC(=O)NCC3)=O)cc2)F)F	5
+O=C1CN(C(=O)c2cc(c(cc2)Oc3cc(F)c(CC)cc3OC)F)CCN1C	782
+C(C)c1cc(Br)cc([N+]([O-])=O)c1	480
+Nc1cc(cc(CC)c1)Br	0
+C(C)c1cc(cc(CC)c1-c2cc(COc3ccc4c(OCC4CC(O)=O)c3)ccc2)OCCCS(=O)(=O)C	4
+C(C)c1ccc(c(c1)F)CNC(CC#N)=O	248
+C1COCCN1c2c(F)ccc(c2)CC	79
+C(C)c1ccc(CN)c(c1)F	107
+c1cc(ccc1OCC(c2ncc(cc2)CC)O)C=O	8
+FC(F)(F)c1ccc(cn1)CCn2c3c(CN(CC3)C)c4c2ccc(CC)c4	3389
+C1C(C(CN(C(=O)Nc2cccc(CC)c2)C1)C(OCC)=O)=O	326
+Cc1c(cccc1)-c2c3c(nc(Cl)n2)CCN(C3)C(Nc4cc(CC)ccc4)=O	326
+NC(=S)Nc1cccc(CC)c1	1099
+FC(F)(F)Oc1ccc(cc1)-n2nc(-c3ccc(cc3)CCCNC(=O)NC(Nc4ccccc4CC)=S)nc2	3390
+c12n(c(nn1)CC)-c3c(cc(OC)cc3)NC2=O	5586
+O(C(CCC1(c2ccc(OC)cc2N(C1=O)c3c(cccc3)F)NC(=O)c4cc5c(cn4)cccc5)=O)C	2418
+C1CN(CCN1CCCCC23c4c(NC2=O)cccc4CCC3)C5c6c(cccc6)CCCC5	28
+C(C12C(=O)Nc3cccc(CCC1)c23)CCCN4Cc5c(CC4)c6cc(OC)ccc6[nH]5	28
+C(C12C(=O)Nc3cccc(CCC1)c23)CCCN4Cc5c(CC4)c6c(ccc(O)c6)[nH]5	5
+C(C1=C(N2C(=O)C(NC(=O)Cc3c(cccc3)CN)C2SC1)C(O)=O)(Sc4nnn[nH]4)CC(=O)O	18
+c1([N+]([O-])=O)ccc2c(C(=CC(C)(COC)O2)C(=NC#N)NC)c1	5587
+C1CC1S(=O)(=O)NC(C2(CC2C=C)NC(=O)C3CC(O)CC3C(N(C)CCCCC=C)=O)=O	344
+C(C1C(CC(O)C1)C(=O)N(CCCCC=C)C)(=O)NC2(CC2C=C)C(=O)O	3
+C(NC1(CC1C=C)C(=O)OCC)(C2CC(CC2C(=O)N(CCCCC=C)C)OCOCC)=O	433
+C(O)C1CC(CC1CC)=O	86
+C1CCCC(C1CBr)C(NCC#N)=O	552
+O=S(=O)(N)OCC1CC(CC1OC(C)=O)n2c3ncnc(NC4c5ccccc5CC4)c3cc2	2419
+C(C)(=O)NC1CC(C(=O)N)CCC1	327
+CC(C)(C)OC(NC1CCC(CC1O)C(=O)OC)=O	3391
+CC(C)(C)OC(=O)n1cc(-c2c(OCC3C(C3)c4ncc(cc4)OC)nc(C)nc2)cn1	2420
+C1C(CCC(=C1)CCCCC)CO	21
+C1C(CO)CCC1CC	95
+C1CC1C=C(C(N2CCCC2Cn3c4c(c(n3)-c5c(F)cc(cc5)Oc6cccc(F)c6F)c(N)ncn4)=O)C#N	847
+C1CC1C(N2CCC(C2)CC(OCC)=O)=O	58
+c1c(-c2cc(F)c(cc2)C#N)nc(N)nc1N3CC(C(=O)O)CCC3	198
+C1(CCC(C(=O)O)CN1c2cc(-c3cc(F)c(cc3)C#N)nc(N)n2)C	5588
+CC(C)(C)OC(=O)N1C(C)CCC(C1)C(=O)OC	23
+FC(F)(F)c1nc(-c2cccc(C(=O)N3CC(N(c4ccc(C#N)cn4)CC3)C(=O)OC)c2)no1	30
+O=S(=O)(C)NCC1COCc2n1c3c(c(nc4c3cccc4)N)n2	111
+Oc1nc2c(C)cc3c(c2cc1)OC(CCCl)C3	1507
+CN(C)CCOCCCC1Sc2c(C)c(OCOC)c(c(C)c2O1)C	481
+c1cc2c(CCC2C(=O)O)cc1F	270
+CC(C)(C)OC(NC1Cc2ccccc2C1Cc3cc(Cl)c(cc3)Cl)=O	37
+C(C1c2ccccc2C(=O)N1)COC	21
+c1cc(ccc1S(=O)(=O)CCC2NC(c3ccccc23)=O)C	5589
+C(C1c2ccccc2C(=O)N1)CO	88
+c12c(ncnc1nc[nH]2)NC(C)C=3N=C4N(C(=O)C=3c5cc(F)ccc5)C(=CS4)C	3392
+c1(cc(F)ccc1)C=2C(N3C(=CSC3=NC=2C(C)Nc4ccnc5nc[nH]c45)C)=O	5590
+c1c(Cl)c(ccc1)C2=C(C(N=[N+]=[N-])C)N=C3N(C(C)=CS3)C2=O	1100
+[N-]=[N+]=NC(C)C=1N=C2N(C(=O)C=1c3cc(F)ccc3)C(=CS2)C	1100
+C12C(CCCC1)CC(CC2)(O)C#CCC=C	5591
+C1CC(CCC12CC2)COc3c(C(=O)OCC=C)cnc(Cl)n3	5592
+C1CCCCC1n2c(CCCOc3ccc4N(C(=O)C=Cc4c3)CC=C)nnn2	5593
+C1CCCN1c2cc(C)nc3c2ccc(OCC=C)c3	220
+C1COCCN1C(C)(C)C(c2ccc(cc2)SCC=C)=O	5594
+CC(C)(C)Cc1coc2cc(OCC=C)ccc12	220
+CC(C)(C)OC(=O)N1CCN(c2c(F)cc3c(N(C=C(C(OCC=C)=O)C3=O)C4CC4)c2OC)CC1C	5595
+CC(C)(C)OC(N1CCN(CC=C)C(=O)C1)=O	3393
+CC(C)(C)OC(N1CCC(CC1)(C(=O)OC)CC=C)=O	5596
+CC(C)(C)OC(N1CCC(C(O)C1)c2ccc(cc2)OCC=C)=O	220
+CC(C)(C)OC(NC(COCC=C)C(O)=O)=O	848
+CC(C)(C)[Si](C)(C)OCC1OC(N2C=C(C(NC2=O)=N)I)CC1OCC=C	848
+CC(C)(C)[Si](C)(C)OCc1c2N(CCC(c2ccc1)OCC=C)CC	848
+CC(C)(C)c1c(OC(C(C)(C)C)=O)ccc(c1)OCC=C	220
+CC(C)(C)c1cc(cc(C(C)(C)C)c1OC(C)=O)OCC=C	220
+CC(C)CC(C(C(=O)OC)O)C(=O)OCC=C	5597
+CC(C)CCC(COCC=C)C(C)O	848
+CC1(C)CC(CC(C)(C)N1CC=C)N2C(=O)c3ccccc3C2=O	1863
+CN(C)C=NS(=O)(=O)c1c(Cl)ccc(C(=O)c2ccc(OCC=C)c(Cl)c2Cl)c1	220
+COc1cccc(c1)C2(CC)C(N(CCCC2)CC=C)=O	3393
+Cc1cc(cc(C)c1Oc2nc(C)cc(NC(CC)CC)c2NCC=C)C	5598
+Cc1ccccc1-c2c(Cl)cccc2OCC=C	220
+Clc1c2c(ccc(c2)OCC=C)ccn1	220
+Clc1cc(c(C(=O)OC)cc1)OCC=C	220
+FC(F)(F)C(N1C(Cc2cc(c(cc2C(C)C1)Br)OCC=C)C)=O	220
+FC(F)(F)C(=O)NC(COCC=C)c1ccccc1	848
+FC(F)(F)C(=O)N1CC(C)c2c(cc(OCC=C)c(Br)c2)CC1	220
+FC(F)(F)C=1N(C(N(c2ccc(c(c2)C(=O)OC(C)(C)C(OCC)=O)Cl)C(=O)C=1)=O)CC=C	5599
+FC(F)(F)c1c(c(nc(N(CC=C)Cc2ccccn2)c1)Cl)Cl	5600
+CN(c1cc(ccc1)O)CC=C	2421
+c1([N+]([O-])=O)cc(C#N)ccc1NCC=C	5601
+O=S(=O)(N1CCN(CC1)C)c2cc(-c3nc(c4c(c(CCC)nn4C)n3)O)c(cc2)OCC=C	220
+c1c(cc(C(=O)O)cc1N2CCCC2=O)OCC=C	220
+c1(C=O)cc(c(cc1)OCC=C)Cl	220
+c1([N+]([O-])=O)cc(OCC=C)c(cc1)C#N	220
+c1(c2cccc(c2nn1CC=C)F)-c3ccc(OC)cc3OC	5602
+O(CC=C)c1c(Cl)cccc1	220
+c12c(ccc(OCC=C)c1)cc(cc2)OC	220
+C(Cn1c(nc2c1cccc2)-c3c([N+]([O-])=O)c(Cl)ccc3)=C	5603
+C1CN(CCN1CC=C)c2nc3c(n2)ccccc3	1863
+c12c(n(CC=C)c(c1)C)c(nc(c2)C#N)N3Cc4c(cccc4)CC3	5604
+c1cc(c2c(c(C)co2)c1OCC=C)C(=O)c3sccc3	220
+c1(C)cc(cc(C)c1)OCC=C	220
+c1c(cccc1OC(=O)C)OCC=C	220
+c1cc(c(cc1I)C=O)OCC=C	220
+c12cc(ccc1[nH]cc2)OCC=C	220
+c1cc(ccc1)-c2c(-c3c(ccc(c3)F)OCC=C)cccc2	220
+c1ccccc1CCC(O)CC=C	5605
+c1cc(ccc1)COC(N2c3c(OC(COCC=C)C2)cccc3)=O	848
+c1cc(ccc1-c2ccccc2C)OCC=C	220
+c1cc(ccc1Br)CC=C	3394
+c1(C=O)ccc(c(c1)CC=C)O	5606
+c1cc(ccc1OCC=C)CCC(=O)OC	220
+c1cc(ccc1CCCBr)C(OC)=O	5607
+c1cc(ccc1Cc2cc(Br)ccc2Cl)CCOCC=C	848
+c1cc(ccc1CCc2oc3cccc(OCC=C)c3c2C)OC	220
+c1cccc(-c2c(Cl)cccc2OCC=C)c1Cl	220
+c1ccccc1C2C(C)N(C(=O)C(CC=C)CCCC)C(=O)O2	5608
+c1cc(ccc1)CCOCC=C	848
+c1ccccc1COc2cc(ccc2)C=CCOCC=C	5609
+c1cc(ccc1)N(CC=C)CC	2421
+c1cnn(c1C(=O)c2c(Cl)c(c(OCC=C)cc2)Cl)C	220
+o1c2cccc(c2c(c1CC)C)OCC=C	220
+C(CC(CC=C)(c1ccc(cc1)C(OC)=O)CO)=C	272
+C(C=C)C(CC=C)OCCCCCCCCCCOc1ccc(cc1)C(=O)O	1
+c1cc(ccc1C=CS(=O)(=O)Nc2c(S(=O)(=O)N(CC=C)CC=C)cncc2)Br	5610
+c1cc(ccc1)S(=O)(=O)CC=CC=CC(=O)OC	5611
+CN(CCNC(=O)c1ccccc1O)C(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC	93
+C(C=CCC=CCCCCC)C=CCC=CCCCCN	18
+C(C=CCC=CCCCCC)C=CCC=CCCCCN=[N+]=[N-]	600
+c1cc(ccc1S(=O)(=O)NCC=CCCCC(O)=O)Cl	2422
+C(CCCc1ccc(F)c(Br)c1)(OC)=O	783
+c1ccc(CO)cc1CCC(OC)=O	159
+C(OC)CCCc1cc(ccc1)Br	374
+C(=O)(O)C=Cc1cc2c(nccc2)cc1[N+]([O-])=O	127
+c1c(Oc2cnc(C)cc2)c(cc(c1)Nc3c4cc(ccc4ncn3)C=CCNC(C)=O)Cl	1475
+C(c1ccc(N)cc1C)CC(OC)=O	159
+C(C=Cc1ccc(nc1)N(C(C)=O)C)(OC)=O	3395
+C(c1ccc(cc1C)CO)CC(OC)=O	159
+c1(cc(ccc1C=CC(OC)=O)F)OC(CC)C	313
+c1cc(ccc1OCCN2CCOCC2)C=CC(CC(C=Cc3cc4[nH]ccc4cc3)=O)=O	964
+CCOC(=O)c1c2c(Cl)cccn2c(CCOCC)c1	5612
+Fc1c(ccc(-c2nn3c(Cc4ccc5nccnc5c4)cnc3nc2)c1)Br	5613
+C(C(Cl)Cc1cc(ccc1OC)F)=O	5614
+c12cc(OC)cc(OC)c1nccc2	5615
+c12c(CCCC1N(C)Cc3nc4cccc(-n5ccnc5)c4[nH]3)cccn2	5616
+c1cc(ccc1C)S(=O)(=O)N2CCOc3cc(ccc3OCC2)-n4cncc4	2423
+c1cc(ccc1-n2cncc2)NC(=O)C3N(CCN(c4cc(Cl)c(cc4)Cl)C3)CC	5617
+c1cc(ccc1-n2ccnc2)OC(C)CCN3CCOCC3	2423
+c1cc(ccc1-n2cncc2)OC3CCCN(Cc4ccc5c(c4)OCO5)C3	2423
+n1ccnc2c(nc(cc12)Cl)Cl	5618
+c1cc(C)cc2nccnc12	2424
+C(O)CC1CCCOC1	237
+c1cc(ccc1[N+]([O-])=O)CCN2CCN(CC2)CCc3ccc(c(c3)F)C#N	61
+c1c(c(-c2csc(N)n2)ccc1)OC	354
+c1(ccccc1OC)C(=O)CN=[N+]=[N-]	3396
+CC(C)(C)OC(=O)N=C1NC(=O)N(CCC(F)CBr)C=C1	5619
+c1ccccc1CC(NC2=CC(N(CCC(CBr)F)C=C2)=O)=O	5620
+c1(nc(cs1)-c2nn3c(cccc3)c2-c4cc(F)ncc4)C	3338
+c1cc(ccc1OCC(=O)c2ccc(Br)s2)Cl	702
+c1cc(ccc1)C(C(=O)C)CC=Cc2ccccc2C	5621
+FC(F)Oc1c(-c2nn(cc2NC(=O)c3c4n(cccn4)nc3)CCC#N)cc(Cl)cc1	338
+O(CCOCCc1cccc2ccccc12)CCC#N	176
+C(CC(=O)O)Oc1c(F)cccc1	5622
+O(C(=O)CCN(CCNC(c1nc(c(nc1N)N)Cl)=O)C)C	1877
+C1C2CC3CC(CC1C3)C2NC(c4nc(N5CCN(CC5)CCC(=O)OC)ccc4)=O	1877
+c1(OC)n(c2nc(nc(N)c2n1)OC(CCC)C)CCCCCl	637
+c1cc(ccc1OCCCCN2CCOCC2)C#N	5623
+Clc1cccc(c1)-c2c(C(=O)N)sc(-n3cnc4c3cc(cc4)OCCCCCl)n2	8
+N1(C(Nc2c(ccc(OCCCCCl)c2)CC1)=O)C	8
+N1c2c(ccc(OCCCCCl)c2)CCC1=O	8
+O=S1(=O)c2ccn(CCCCCl)c2C(=O)CN1C	1878
+n1c2c(n(CCCCCl)c1)cccc2	656
+c1cc2n(CCCCCl)nnc2cc1	5624
+c1cc(ccc1OCOC)C2(COc3c(C2c4cccc(c4)OCCCCCl)ccc(OCOC)c3)C	8
+c1cc(ccc1OCCCCCl)Cn2c(nc3c2nc(nc3N)OCCCC)OC	8
+O(CCCOCCCBr)c1c(c2c(ccc(OCC(OC)=O)c2)cc1)C(C)=O	8
+C1CC1(c2cnc(cc2)Cl)C(=O)OCC	5625
+C(c1cc(c(C)cc1)N2C(=O)c3cc(ccc3N=C2)OCCCl)(=O)O	8
+C1CC(CCC1NC(C=Cc2cc(c(OCCCl)cc2)OC)=O)C	8
+C1CCC1(c2c(OCCCl)cccc2)NC=3C(N(C=CN=3)c4cc(ccc4C)C(NC5CC5)=O)=O	5626
+C1CC1(c2ccccc2OCCCl)N=C3NC=CN(c4cc(C(NC5CC5)=O)ccc4C)C3=O	5627
+C1CC1NC(c2ccc(c(N3C(=O)c4cc(ccc4N=C3)OCCCl)c2)C)=O	8
+CC(C)(C)OC(=O)c1sc2c(c(C)c(OCCCl)c(n2)C)c1N	458
+CC(C)CN(CC(C)C)c1ccc(C2(CC2)C#N)cc1[N+]([O-])=O	1486
+FC(F)(F)c1cc(ccc1)N2CCN(CC2)CCCl	28
+FC(F)(F)c1ccc(c2n(C)c(C(OCC)=O)cc12)OCCCl	458
+c1(c(F)c(c(c(OC)c1)F)N2Cc3c(cc(nc3)Cl)C4(CC4)C2=O)OC	5628
+C1CC1(C#N)c2c(Cl)cc(cn2)Br	5629
+C1CC1(c2ccc(cc2)Br)C(O)=O	3397
+C1CC1(c2c3c(ncc2)cccc3)C(O)=O	3397
+c1c(Cl)c(OCc2cccc(F)c2)ccc1Nc3ncnc4cccc(OCCCl)c34	8
+O=C1c2ccccc2C(=O)N1OCCCl	5630
+c1cc(ccc1)COc2ccc(C3(CC3)C#N)cc2OCc4ccccc4	1486
+c1cc(ccc1-c2n(c3c(c2C#N)ccc(OCCCl)c3)CC)NC(=O)C4CC4	8
+c1cc(ccc1-c2nc(CC(=O)OC)co2)OCCCl	8
+c1cc(ccc1C2(CC2)C#N)C=C	1486
+c1cc(ccc1OCCCl)CCC(=O)OC	8
+c1cc(ccc1C2C(C)(c3ccc(cc3)OCOC)CSc4cc(ccc24)OCOC)OCCCl	8
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCCl)c(OC)cc45)C)C	8
+c1cc(ccc1SCCCl)C=O	636
+C(COc1cccc(c1)Nc2cc(nc3ccccc23)C)Cl	8
+c1ccccc1-c2c(-c3ccccc3)n(cn2)CCCl	541
+C1CC1(C#N)c2ncc(cn2)C	5631
+C1CC1(c2cc3cccnc3cc2)C#N	1486
+O=S(=O)(c1c(C=2OCCN=2)c(c(cc1)C(=O)OC)Cl)C	5632
+c1ccccc1COC(=O)NCCBr	101
+C1CC2(CCN1C(OCC)=O)C(=O)c3ccc(F)cc3C2	5633
+C1C2CC3CC(CC1C3)C2NC(c4nc(ccc4)N5CCN(CC5)CCO)=O	28
+C1CC(Nc2cccc(OCCO)c12)=O	8
+C1CC1NC(=O)c2cc(-n3c(c(cn3)C(c4cccc(c4)OCCBr)=O)N)c(cc2)C	20
+O=S(=O)(N(CCO)c1c(C2CC2)cc3c(nn(-c4ccc(C)cn4)c3C(NC)=O)c1)C	1233
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(c(c(C)c4)OCCO)CC)c2)OC	8
+C1CN(CCO1)c2nc(Cl)nc3c2cc(cc3OCCO)Br	458
+c1cc(ccc1C#N)NC(C(=O)OCC)c2c(F)c(OC3CCN(CC3)CCO)cc(OCC)c2	28
+C1C(CN1CCO)Oc2nc3c(n2-c4ccnc(N)n4)cc(Br)cc3	28
+CC(C)(C)Nc1c2c(cc(n1)Cl)C=CN(CCO)C2=O	5634
+CC(C)(C)OC(=O)NC1CCN(CC1)CCO	28
+CC(C)(C)OC(NC(Cc1ccc(cc1)OCCBr)C(=O)OC)=O	20
+c1ccccc1C2=NC(C)(C)Cc3c2c4CC(C)(C)Oc4c(OCCO)c3	8
+c1c(OC)c(OC)ccc1CCN(C)CCO	28
+O=S(=O)(CCO)c1ccc(Cl)c(c1)[N+]([O-])=O	3398
+O1C2CN(CC2OC1)CCO	28
+c1c(c(OCCO)ccc1)Br	8
+S(c1nc2nc(C)cc(C)n2n1)CCO	2425
+c1(C)c(ccc(OCCO)c1)[N+]([O-])=O	8
+c1ccc(cc1NCCO)Nc2nc(c(cn2)F)Nc3cc4c(OCCO4)cc3	601
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCO)=O)O	28
+c1cccc2C(=O)N(C(=O)c12)CCN(CC)CCO	28
+C(O)Cn1ccc2ccccc12	339
+c1c(OCCO)cc(c(OC)c1)OC	8
+c1c(ccc(OCCO)c1F)F	8
+c12c(cccc1)ccc(c2)OCCO	8
+N1(C(=O)C=CC(Br)=C1)CCO	5635
+c1ccccc1NCCO	601
+c1cc(ccc1)OCc2nn(CCBr)c(C(OCC)=O)c2	2426
+c1cc(ccc1-n2cc(nc2)CNC(c3sc(cc3)Cl)=O)N4C(C(=CC=C4)OCCO)=O	5636
+c1cc(ccc1CC)Cc2c(Cl)cc(c(Br)c2)OCCO	8
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3c4ccc(OCCO)cc4CCC3)C(C)C	8
+C1CN(CCN1CCO)c2ccc(cc2)[N+]([O-])=O	28
+O=S(=O)(N(c1c(c([N+]([O-])=O)cc(C)c1)N)CCO)c2ccc(cc2)C	1233
+c1cc(ccn1)C(Cn2c3c(c4c2ccc(c4)C)CN(CC3)CCO)O	28
+c1(Nc2c3cccc(c3ncc2C(CC)=O)OCCO)c(C)cccc1	458
+c1ccccc1-c2onc(OCCBr)c2	5637
+C(c1ccc(C(NC)=O)c(NCC)n1)CCCN	587
+c1cc(nc(CF)c1)C#CCCNC(=O)c2c(cccc2)Cl	93
+C(C)CC(=O)CC(OCCC#N)=O	3307
+Brc1cc(CCC#N)c(CCCO)s1	407
+C(CCOC(C)OCC)(=C)Br	3399
+c1cc(ccc1)[Si](c2ccccc2)(OCCC(=C)Br)C(C)(C)C	328
+c1ccccc1Nc2nc(C)cc(n2)COC	5638
+C=1(C(=O)NC(=O)C=1c2cc(NC(CCO)C)ccc2)c3c4ccccc4n(C)c3	231
+C(OC(=O)OCCC(=O)C)C	405
+Cc1c2nc(nn2c(C)cn1)CCc3ccc(O)c(NC(C)CCO)n3	1270
+c1cc(ccc1)COCCC(C)=O	149
+COc1c(c(Cn2c3nc(nc(Cl)c3c(C#CCCC(=O)O)c2)N)ncc1C)C	5639
+c1c2c([nH]c1CCC(=O)O)c(F)cc(c2)Br	5640
+C(CC(=O)NOC1OCCCC1)C(OC)c2cc(C)c(F)cc2	293
+C1CC1c2nc(N3CCN(C(CCO)=O)C(C4CC4)C3)c(cc2N(C)c5ccnc(Cl)c5)C#N	10
+C1OC(CCC1)OCCC(=O)O	219
+c12c(F)cccc1C(CCO2)=O	214
+C(CC(=O)O)c1c(Cl)c(C(N)=O)c(cc1Cl)Cl	1079
+C(CC(=O)O)c1c(Cl)c(c(cc1Cl)Cl)C#N	1879
+C(CO)Cc1cccc(F)c1	21
+C(OC)(CCc1cccc(F)c1)=O	27
+c1([N+]([O-])=O)cccc(c1)CCCO	21
+C1CN(CCN1C)c2ccc3c(c2)c(O)c(c(N)n3)C#N	3400
+CC(C)(C)OC(C(C1C(CC)CCN1)N2CCCC2C(=O)NC(CCSC)C(=O)OC)=O	188
+Cc1ccccc1-c2c(ccc([N+]([O-])=O)c2)C(=O)NC(CCSC)C(=O)OC	259
+FC(F)(F)c1cccc2c1CN(C2=O)C(C(OC)=O)CCSC	1880
+c1cc(ccc1-c2cc(ccc2C(NC(CCSC)C(OC)=O)=O)O)F	3401
+c1cc(ccc1)-c2cc(CBr)ccc2C(NC(CCSC)C(OC)=O)=O	259
+c1ccccc1-c2cc(ccc2C(=O)NC(CCSC)C(OC)=O)I	5641
+C=C(C)CCOc1cccc(NC(C)=O)c1	20
+c1c(OCCC(=C)C)c(Cl)cc([N+]([O-])=O)c1	20
+C(=O)(CC(O)CCCCCCCCCCC)OC	770
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(OC)=O	20
+C(CC(CC=C)OCCCCCCCCCCBr)=C	176
+C(C=C)C(CC=C)OCCCCCCCCCCOc1ccc(cc1)C(OC)=O	8
+FC(F)(F)C(=O)NCC(C)(C)Cc1cccc(c1)C#CC(CCC)(CCC)O	197
+c1cc(ccc1C(=O)O)OCCCCCCCCCCOC(CCC=C)CCC=C	1
+CC(C)(C)[Si](C)(C)OCC(CCCC)(CCCC)COC	19
+c1cc(ccc1)CONC(=O)C(CO)CCCCC=C	293
+C1CC(c2c1c(Cl)ccc2)=O	94
+C(C(OCC)=O)Cc1cc(ccc1O)CCCCC(=O)OCC	165
+O=S(=O)(OCCOCCOC(=O)CCCCCCCCCCCCCCCCCCCCC)c1ccc(cc1)C	36
+c1cc(ccc1Br)Cc2c(CC)n[nH]c2CC	3403
+c1(OC)c(nccc1C(CC)=O)OC	155
+c1ccccc1Oc2c(NC(=O)CCC)cc(Cl)cc2	5642
+CC(CCCC(=O)C)CCC	1101
+CC(C)(C)OC(N1c2cc(Cl)ccc2C(=Cc3cc(ccc3OC(CCC)(CCC)C(=O)OCC)Cl)C1=O)=O	1881
+CCCC(CCC)C(=O)N(C)C(C(OC)=O)CC=C	5643
+O=S(=O)(C)OCCCCCCCCCC	7
+OB(O)c1ccc(c(F)c1F)CCCCCCCCC	1509
+c1cc(ccc1NC(=O)C)CC(NC=2C(=O)NC(N(CCCC)C=2N)=O)=O	2428
+c1(c2nnc(c(Cl)c2cc(SCC)c1)C(=O)N)F	3404
+c1ccccc1C2=Cc3c(c(C(=O)OC)ncc3N(CC4CCCCC4)C2=O)O	1510
+c1ccccc1CN2c3cnc(C(OC)=O)c(O)c3C=C(c4ccccc4)C2=O	1510
+C(C)CN(CCC)C(C(=NNc1ccccc1)C(C)=O)=O	5644
+O=S(=O)(c1cccc(c1)C(O)=O)NCCC(=O)OCC(N(CCC)CCC)=O	71
+c1(F)cc(cc(F)c1)CC(C(CNCc2cccc(OC)c2)O)NC(c3cc(cc(c3)C(=O)N(CCC)CCC)C)=O	14
+C(CC)N(CCC)CCCCN	51
+CCCN(CCC)CCCCN1CCc2c(ccc(C(OC)=O)c2)C1	61
+c1cc(ccc1CNCCCCN(CCC)CCC)C#N	42
+c1cc(ccc1OC)CN2C(N(C(C)=C(C2=O)[N+]([O-])=O)CCC)=O	5645
+C(CC)N1C(=C(C(NC1=O)=O)[N+]([O-])=O)C	2429
+C(CC)N1C(C(N)=C(N)NC1=O)=O	721
+C(CC)N1C(C(=C(N)NC1=O)N=O)=O	1882
+Cc1n(-c2cn(CCC)nc2)c3cc(Cl)ccc3c1Sc4cccc(c4)CC(OCC)=O	1865
+FC(F)(F)c1ccc(cn1)Nc2ccc(-c3cc4CCC(CC(=O)OCC)(C(c4cc3)=O)C)nc2	3405
+C(CC1(C(=O)c2ccc(cc2CC1)-c3ccc(N)cn3)C)(OCC)=O	13
+Clc1cccc(c1)COc2cc3OC(C=C(CC(N)=O)c3cc2)=O	657
+C1CN(CCN1Cc2ccccc2)C3C(CCCCC3)CC(OC)=O	85
+C(CC1CCc2cc(ccc2O1)NC(OCC)=O)C#N	90
+C(CC1CCc2cc(N)ccc2O1)C#N	0
+N1(C(=O)C)c2cc(C)cc(C)c2C(CCC(=O)O)C1	459
+c1ccccc1COC(N2CCCCC2CCCO)=O	66
+c1ccccc1CN2CCCCC2CCCO	131
+C(CC1Oc2c(cc(N)cc2)C1)C#N	0
+C(CC1Oc2c(cc(cc2)NC(OCC)=O)C1)C#N	90
+C(CN)CC1Oc2c3ccc(O)nc3c(C)cc2C1	51
+O1CC(CCOC)Oc2ccccc12	21
+C(CC1c2c(CC1)cc(NC(C)=O)cc2)C(=O)O	3406
+O=C1Nc2c(cccc2)C(CCO)C1	88
+C(CCC(CCC=C)OCCCCCCCCCCBr)=C	176
+C(CCC=C)(N=[N+]=[N-])c1ccccc1OC	841
+C(CC=CCC=CCCCC(Nc1ccc(c(c1)C(=O)O)O)=O)=CCC=CCCCCC	1
+C(CC=CCC=CCCCC(=O)Nc1ccc(O)c(c1)C(=O)OC)=CCC=CCCCCC	33
+C(C=CCC=CCCCCC)C=CCC=CCCCCO	95
+C(CCCCC)Oc1cccc(C)c1	8
+Nc1sc(SCCCCCC)nn1	5646
+c1cc(ccc1)-c2nc(nc(-c3ccccc3)n2)-c4c(cc(OCCCCCC)c(c4)Cl)O	8
+c1cc(ccc1OCCCCCC)I	8
+c1ccccc1COc2cc(C(O)(C)CCCCCC)ccc2	5647
+Nc1sc(nn1)CCCCCBr	1087
+CC(C)(C)OC(=O)N1CCC(CC1)c2cccc(NC(CCCCCBr)=O)c2	26
+c1(OC)cc2c(ccnc2c(NC(CCCCCBr)=O)c1)C	308
+C(Br)CCCCC(=O)Nc1ccccc1[N+]([O-])=O	26
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCNC(=O)CCCCCBr	68
+C(Br)CCCCC(=O)Nc1ccccc1O	26
+c1ccccc1-c2c(nc(n2CCCCCCCBr)-c3ccccc3)-c4ccccc4	541
+c1(OC)n(c2nc(nc(N)c2n1)OC(CCC)C)CCCCCCl	637
+c1(OC)n(c2nc(nc(N)c2n1)OCCCC)CCCCCCl	637
+CC(C)CCSCCCCCCl	965
+FC(F)(F)CSc1cc(ccc1C)OCCCCCCl	8
+O=Cc1cn(c2ccc(OC)cc12)CCCCCCl	339
+c1cc(ccc1OCCCCCCl)C#N	8
+c1cc(ccc1SC(c2cc(c(OC)cc2)OC)(CCCCCCl)C#N)C	5648
+O(C(CCc1nc(C#CCCC(OC)=O)ccc1O)=O)C	3407
+c1cc(ccc1-c2c(NC(=O)OC(C)c3c(cccc3)Cl)c(no2)C)C#CCCCCC(O)=O	197
+c1(ccc(cc1Cl)C(CCCC#Cc2cc(c(-n3nc(C)nc3)cc2)OC)=O)Cl	155
+c1(nnn[nH]1)CCC(=O)OC	3408
+C(OC(CC(CCCCCC)(C)O)=O)C	5649
+c1cc(ccc1)Oc2cc(Br)cnc2Nc3nc(CCC(=O)OC)cs3	1102
+c1cc(ccc1Cl)-c2nn(c(C)c2)CC(CCC(=O)OC)=O	5650
+C1COCCC1Nc2c(CNC(=O)CCC(=O)OC)c(nc3c2cnn3CC)CC	9
+c1cc(ccc1-c2ccccc2)COCc3ccc(nc3)NC(=O)CCC(=O)OC	142
+c1cc(ccc1)C(NNC(=O)CCC(OC)=O)=O	708
+CC(C)(C)OC(NCCOCCOCCOCCNC(=O)CCCCC(=O)O)=O	9
+CC(C)(C)OC(NCCCCCCCC(=O)O)=O	37
+c1ccccc1COC(NCCCCCCCC(=O)O)=O	101
+C[Si](C)(C)c1cccc(Cl)c1C(=O)N(CC)C(CCCCCC)C	115
+O=S(=O)(C)OC(CC)CCCCCC	7
+C(CC(CCC=C)OCCCCCCCCCCOc1ccc(cc1)C(OC)=O)C=C	8
+N1(CCCC1=O)CCCNC(CCC(OC)=O)=O	68
+CC(C)(C)c1c(N2CCN(CC2)C(CCC(=O)OC)=O)cccc1	58
+CC(C)c1cc(c(I)cc1Oc2c(N)nc(NC(CCC(OC)=O)=O)nc2)OC	784
+n1c(NC(CCC(OC)=O)=O)sc(c1)C#N	290
+C1(=O)CCC(=O)N1OC(=O)CCC(=O)OC	5651
+c1cc(ccc1Br)C(CCC(OC)=O)=O	94
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4c5c(nc(n4)NC(=O)CCC(OC)=O)sc(CC)c5)=O	784
+n1cc(cnc1-c2c(c(F)c(cc2)OCC(CCCCCCCC)F)F)-c3ccc(nc3)OCCCCCCCC	20
+C(CCC(O)C)CCCCC(=O)O	4
+C(OC(CCCC(C(=O)c1sc(cc1)Cl)O)=O)C	3409
+C(c1cnc2c(C)cccc2c1Cl)(CCC)=O	120
+C(c1cnc2c(cccc2c1Cl)C(=O)C)(CCC)=O	120
+C(CCC)(c1c(c2c(nc1)c(OCCOC)ccc2)Nc3ccc(cc3C)F)=O	2430
+CC(C)CC(C)N(CC(CCCC)CC)CCCCCCCCCCCC	61
+c1cc(ccc1N(C(CC(C)C)C)CC(CC)CCCC)OCC	713
+C(CC(CCCC)(CO)COC)CC	76
+CCCCC1(CCCC)c2ccc(cc2C(O)=C(C1=O)C=3NS(=O)(=O)c4cc(I)ccc4N=3)F	5652
+c1cc(ccc1C=O)C#CCCCCCCCC	197
+o1nc(CCCCCCCC)nc1C=Cc2ccc(OC)c(OC)c2	3410
+S(CCC(C(=O)NCCCCCCCC)OC(=O)C)C	9
+c1ccccc1C(=O)OCCN2C(CC)(C)C(C3(NC(N(C3=O)CCCCCCCC)=O)CC2(C)CC)C	279
+N#CC(C#N)=C1C(=C(c2ccc(cc2)-c3cn(nn3)CCCCCCCC)C(C)(C)O1)C#N	2352
+CC(C)(C)OC(=O)C(C)(C)Sc1scc(CC(=O)NCCCCCCC)n1	9
+C(CCCCCC)NC(C)=O	68
+c1ccccc1-c2c([nH]c(SCCCCC(NCCCCCCC)=O)n2)-c3ccccc3	9
+C(CCCC)CN(CCCCCC)C(=O)C1Sc2ccccc2-c3[nH]c4c(cccc4)c13	5653
+s1c(NC(C)=O)nc2c(OCCCCCNC(NCCCCC)=O)cccc12	458
+n1(c(C#N)nc2N(C(=O)N(CCCC)C(c12)=O)CCCC)CC=C	5654
+CCCCN(CCCC)C(=O)OCCl	66
+CCCCN(CCCC)C(=O)c1[nH]nc(c1Cl)C	3411
+C[Si](C)(C)CCOCn1c(Br)nc(c1)C(=O)N(CCCC)CCCC	777
+C(CCN(CCCC)C(c1nn(c(c1)C)-c2c(cc([N+](=O)[O-])cc2)C(N3Cc4c(CC3CO)cccc4)=O)=O)C	147
+C(CCN(CCCC)C(c1nn(-c2c(C(=O)N3C(Cc4c(cccc4)C3)CO)cc(Br)cc2)c(C)c1)=O)C	147
+C(CCC)N(CCCC)C(Cn1c2CCCC(=O)c2c3ccc(cc13)OC)=O	10
+CCCCN(CCCC)C(=O)c1ncc2c(n(CCCN3CCCCC3)c(Nc4ccc(cc4)OC)n2)c1	147
+C(CCC)N(CCCC)CCCOc1ccccc1	53
+C[Si](C)(C)C#Cc1c2c(cc(c1F)F)C(=O)C(C(OCC)=O)=CN2c3ccc(F)cc3F	5655
+C1CCCC1N2C(C(=C(C)c3cnc(Nc4ccc(N5CC(C)OC(C)C5)cn4)nc23)C(=C)OCC)=O	5656
+C1CC1CC(C#N)c2ccc(C(=C)OCC)nc2	5657
+C1COCCN1c2cnc3c(cc(Sc4nnc5ccc(cn45)C(OCC)=C)cc3)c2	5658
+CC(C)(C)OC(NC(Cc1ccc(cc1)C(=C)OCC)CCO)=O	3412
+CC(C)n1ncc2c1nc(C(OCC)=C)cc2C(=O)NCc3c(nc(C)cc3C)O	3413
+CC(c1nnc2n1nc(cc2)C(=C)OCC)c3c(cc4ncccc4c3F)F	5659
+CC1(C)C=C(c2c(O1)cc(c(C(C)=O)c2)OC)C(C)C	1271
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(cc(cc2)C(=O)C)C=3CCCCC=3	1271
+C[Si](C)(C)CCOCn1c2c(cc1)c(NC3CCCCC3)c(C(C)=O)cn2	3414
+CCOC(c1c(F)cnc(Cl)n1)=C	3415
+FC(F)(F)c1cc(C(C)=O)ccc1[N+]([O-])=O	1271
+O(c1cccnc1C(OCC)=C)C	3413
+c12c3c(-c4c(C)c([N+]([O-])=O)ccc4)nnc(O)c3[nH]c1cc(cc2)C(=O)C	5660
+c1c(cc2ccc(C(=C)OCC)nc2c1)Br	5661
+c1cc(ccc1C(C)=O)-c2cocn2	1271
+c1cc(ccc1Cl)Nc2c(cc(cn2)C(=O)C)Cl	3414
+c1ccccc1-n2ncc3C(N(c4ccc(cc4)Cl)C(=Nc23)c5ccc(cc5)C(C)=O)=O	1271
+c1ccccc1C(c2c(F)ccc(C(C)=O)c2)O	1271
+C(C)OC(c1cc(Cl)ncn1)=C	3415
+C(C)N(CC)CC=Cc1c(ccc(c1)F)S(=O)(=O)Nc2c(c3c(C4CC4CO3)c(c2)F)C(OC)=O	1511
+C(C)N(CC)CC=Cc1cc(ccc1S(=O)(=O)Nc2c(C(=O)OC)c3ncc4c(cco4)c3cc2)F	1511
+O=S(=O)(c1ccc(cc1C=CCN(CC)CC)F)Nc2c(C(OC)=O)c3c(c4ccnn4cc3)cc2	1511
+O=S(=O)(Nc1c(c2c(n3CCCc3c2)cc1)C(=O)OC)c4ccc(cc4C=CCN(CC)CC)F	1511
+c1(cc2sc(NC(NCC)=O)nc2cc1)-c3nnn[nH]3	2431
+c1c(Cl)c(c(cc1-c2nnn[nH]2)Cl)C(OC)=O	2431
+Clc1ccc2c(nc(C=Cc3cc(ccc3)CN4c5c(cccc5CC4)CCc6nnn[nH]6)cc2)c1	3416
+Clc1ccc2c(nc(C=Cc3cccc(OC(c4[nH]nnn4)C)c3)cc2)c1	5662
+c1c(c(ccc1)-c2c3c(n[nH]2)ccc(-c4[nH]nnn4)c3)OC	2431
+n1nn[nH]c1CCCOc2ccccc2N(C(c3cc(c(cc3)Cl)Br)=O)C	3416
+c1cc(ccc1F)Oc2c(ncc(Sc3ncccn3)c2)Nc4ccc(cn4)-c5[nH]nnn5	5663
+C1CC1c2c(OCCC)c(NC(=O)Nc3ccc(cc3)C4CC4)cc(-c5ccccc5-c6[nH]nnn6)c2	2357
+C(CCC)[Sn](CCCC)(CCCC)c1ccc(C(ON2C(=O)CCC2=O)=O)c(Cl)c1	5664
+C1CN(CCN1C(=O)C(=O)c2c3c([nH]c2)c(-c4cc([nH]n4)CO)ncc3OC)c5nnnn5-c6ccccc6	5665
+Fc1cncc(F)c1-c2cc([N+](=O)[O-])c(N)nc2-c3cnccc3	2432
+Fc1cncc(F)c1-c2c(nc(N)c(c2)[N+]([O-])=O)-c3c(F)cccc3	2432
+CC(C)(C)OC(NC(C(=O)OC)Cc1ccc(cc1)C2=CC(Cl)=CN(Cc3ccccc3)C2=O)=O	5666
+c1(c(-c2c(-c3cccnc3NCC)csc2)cccn1)F	5667
+CCCCCCC1(CCCCCC)c2cc3c(cc2-c4c1cccc4)CC(=C3)C	5668
+C(CCC1C(C(Cl)=O)C1)CCCCC	130
+c1cc(ccc1CC(C)(C)NCC(CCCCCCCC)O)OC	122
+OB(O)c1ccc2CC(CCCCCCCC)Cc2c1	281
+CC(C)(C)NC(=O)C(CCCCl)(NC(=O)C)CCC=C	2433
+NC(CCC=C)c1ccccc1OC	18
+Clc1ccc(C=C(CCCCC)C=O)c(Cl)c1	1103
+C(c1c(c(F)ccc1)F)(CCCCCC)O	1512
+c1(c(C(CCCCCCCC)O)cccc1F)F	1512
+c1c(Br)cc([N+](=O)[O-])c(NC(CCCCCCC(=O)OC)=O)c1	26
+C(CCCCCCC(=O)OCCCCCC)C=CCCCCCCCC	204
+CC(C)(C)[Si](C)(C)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC	204
+C(CCCCC)CCC=CCCCCCCCC(NCCN=[N+]=[N-])=O	5669
+c1ccccc1OCC(O)C2N(CCC2)C(C3N(CCC3)C(CCCCCCC)=O)=O	10
+OC(C)CCCCC(=O)O	100
+C(#CCCCCC)C(C1C(CCCCCCC(=O)O)C(OC2CCCCO2)CC1)OC(=O)C	5670
+C(Cn1c(cc2ccccc12)C(Nc3sc(CCCCCCCC)c(-c4cc(OC)c(Cl)cc4OC)n3)=O)C(OCC)=O	2434
+C(CCCC1C(N(C(c2cnccc2)S1)CCO)=O)CCCCC	5671
+C(CCCCC)C(CCCCCC)=CC(=O)OC	1513
+c1ccccc1COc2c(CN(C)C(=O)CCCCCCC)cc(cc2)Br	58
+O(C(=O)CCCc1nc(-c2c([N+]([O-])=O)cccc2)co1)C	2435
+c1cc(ccc1S(=O)(=O)OCC(C)(C#N)CCCC)C	36
+C(CCCC)CCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC	2436
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+C1CC1CCN2C(C(c3c2cccc3)(c4c(cc5OCOc5c4)O)CO)=O	1106
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+N#CC(C#N)=C(C)c1cc2ccc(cc2cc1)N(CCOCCO)C	649
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+c1ccccc1Nc2c(Cl)cnc(Nc3ccc(cc3)C(NCCCn4ccnc4)=O)n2	14
+c1cc(ccc1C=O)OCCF	72
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)NCCF	238
+c1c(CNCCF)cc2c(CC(=O)OCC)c(ccc2c1)Cl	42
+c1ccccc1COc2c(c(cc(OCc3ccccc3)c2)Oc4ccc(cc4)[N+]([O-])=O)-c5onc(C(=O)NCCF)c5	81
+c1ccccc1-n2nc(cc2OCC(=O)N3C(CCC3)C(NCCF)=O)C(OCC)=O	9
+c1c(F)c(c(c(OCCF)c1)Cl)-c2nc3n(c2Nc4cc5c(OCCO5)cc4)c(OC)ccc3	1891
+C(CF)Oc1ccc(F)c(c1Cl)C=O	151
+C1CCCCC12c3c(cccc3)NC2=O	5701
+CC(C)(C)OC(=O)N1CC(N(C(C1)=O)c2ccc(cc2)OCCCOCc3c(cccc3)OC)CO	116
+C(CC)N(CCC)C1Cc2cc(ccc2C1)C=O	146
+C(CC)N(CCC)CCC(=O)NCCO	248
+CC(C)(C)OC(N1C(C(NCCC#N)=O)CC2CCCCC12)=O	9
+CC(C)(C)OC(NC(C(=O)NCCC#N)Cc1ccc(cc1)-c2cc(Cl)ccc2)=O	9
+C1CCCCC1C(=O)c2cc([N+]([O-])=O)c(NCCC(=O)N)cc2	60
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C2N(CCC(O)=O)C(=O)CS2	5702
+FC(F)(F)c1cc(ccc1)C2=Cc3c(c(ncc3N(Cc4ccccc4)C2=O)C(=O)NCCC(O)=O)O	658
+C(CCNC(=O)CCC(=O)Nc1cccc2c1cccc2)(=O)O	9
+C1CCCCC1CN2C(C(=Cc3c2c(nc(C(NCCC(O)=O)=O)c3O)-c4ccncc4)c5ccccc5)=O	658
+CC(C)(C)OC(=O)N1C(C(=O)NCCC(=O)OC)CCC1	9
+CC(C)(C)OC(=O)NC1C(C)(C)C(C1)C(=O)NCCC(=O)OC	9
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(C)c3sc(C(NCCC(=O)OC)=O)cc3)C	227
+CC(C)CC(Sc1ccc(cc1)Br)c2ccc(cc2)C(NCCC(=O)OC)=O	14
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(=O)NCCC(=O)OC	14
+O=C(NCCC(OC)=O)c1c([N+]([O-])=O)cc(c(Cl)c1)[N+](=O)[O-]	14
+c1cc(ccc1C(=O)NCCC(=O)OC)C(=O)CCC	14
+c1cc(ccc1C(NCCC(=O)OC)=O)C(Oc2ccc(cc2)Br)CCCCCC	14
+c1cc(ccc1F)-c2cc(no2)C(=O)NCCC(=O)OC	81
+c1ccccc1COc2ccc(cc2)C(NCCC(=O)OC)=O	14
+c1(Cl)cc(cc(Cl)c1Oc2cc(C(=O)NCCCCCCCCC)c(OC)cc2)[N+](=O)[O-]	14
+c1cc(ccc1C(c2ccccc2)=CC(NCCCCCCCCCC)=O)[N+]([O-])=O	771
+c1cc(ccc1C2CC2C(NCCCCCCCCCC)=O)[N+](=O)[O-]	9
+C1CC1C(=O)NCCCc2c3CCOc3ccc2Br	68
+c1(nc(nc(C)c1C(OCC)=O)NCCCc2cccc(OC)c2)C	96
+C(CN)Cc1c(ccc2OCCc12)Br	38
+c1ccc2ccc(OC)cc2c1CCCNC(C)=O	68
+CC(C)(C)OC(=O)NCCN(C)CCN	3391
+C1CC(CCN1C)c2nn3c(NCCNc4ncc(cc4)C#N)nc(-c5ccc(cc5Cl)Cl)cc3n2	3432
+Clc1ccc(c(c1)Cl)-c2c3CN(CCc3nc(NCCNc4ccc(C#N)cn4)n2)C(C)=O	435
+CC1=C(C)C(=O)N(C1=O)CCO	3433
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4c5c(ccc4)C(=O)N(C=C5)CCO	1892
+C1CC1NC(=O)c2cc(c(c(c2)N3C=CNC(=NC(C)(C)c4c(SCCNCCO)cccc4)C3=O)C)F	284
+C1CC1c2nc(c(Oc3c(cccc3)OC)c(n2)NS(=O)(=O)c4ncc(cc4)C(C)C)OCCN	145
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(C)c(OCCNCCO)c(CC)c4)c2)OC	285
+C1C(CC1)(NC=2C(N(C=CN=2)c3cc(ccc3C)C(NC4CC4)=O)=O)c5ccccc5OCCNCCO	284
+C1CCCCC1CCCNCCO	110
+C1CN(C(=O)CNCCO)c2ccc(cc2S1)[N+]([O-])=O	402
+C1CN(CCO1)c2c3c(cc(-c4cccc(c4)C(=O)NCCO)s3)nc(n2)-c5cnc(nc5)N	14
+N=1c2ccccc2C(N(C=1CC)CCO)=O	3434
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2nc(NCCO)nc(n2)OC	387
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)C3=NCCO3)=O	5703
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(NCCO)=O)=O	238
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)CNCCO	463
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(NCCO)=O	238
+C1N(CCc2c3C(N(C=Nc3sc12)CCO)=O)C	3435
+c1(NCCO)c(Cl)cc(C(Nc2cc(c(C)cc2)O)=O)cc1	60
+Clc1ccc2c(c(n(c2c1)C)-c3cncc(CNCCO)c3)C#N	249
+FC(F)(C)C(NCCO)=O	271
+FC(F)(F)CCS(=O)(=O)CCCNCCO	284
+FC(F)(F)c1c(F)cc2n(cc(CNCCO)c2c1)C	249
+FC(F)(F)c1nc2c(c(NCCO)c1)cccc2	105
+FC(F)(F)c1ccccc1-c2nc(O)c3cc(ccc3c2)NC(CNCCO)=O	402
+FC(F)(F)c1nc(cs1)-c2c(cccc2)OCCNCCO	132
+FS(F)(F)(F)(F)c1ccc2[nH]cc(CNCCO)c2c1	249
+C(CNc1c(Cl)cc([N+]([O-])=O)c(NCCN)c1)O	205
+O(Cc1cc(N)ccc1Cl)c2cnc(cc2)NCCO	182
+n1c(n(Cc2c(F)cccc2Cl)c3C(N(C(=O)N(c13)C)C)=O)N4CCCC(C(NCCO)=O)C4	9
+c1(NCCO)c(ccc(N2C(=O)C=CC=C2)c1)-n3cnc(CNC(c4sc(cc4)Cl)=O)c3	60
+Fc1c(cccc1)CNCCO	42
+C1CC(CCC1)CC(Nc2c3c(nc(cc3)N4CCC(NCCO)C4)ccc2C)=O	5704
+C(c1c(F)ccc([N+]([O-])=O)c1)(NCCO)=O	14
+N(CCO)c1c(ccc(F)c1Cl)[N+]([O-])=O	60
+c1(cc([N+]([O-])=O)ccc1C(CNCCO)O)Br	284
+c1(F)c(ccc(C(CNCCO)O)c1)Br	122
+c1(cccnc1OCC(C)F)Nc2c3c(c(sc3ncn2)C(NCCO)=O)C	227
+c1c(c(ccc1)OCCNCCO)Br	132
+c1c(ccc(COC2=C(Br)C(N(C(=C2)C)c3c(C)ccc(C(NCCO)=O)c3)=O)c1F)F	14
+c1(ccc([N+]([O-])=O)c(n1)N)NCCO	70
+c1cc(ccc1)-c2c(c(on2)C)COc3ccc(C(=O)NCCO)nn3	81
+c1cc(ccc1-c2c(n(nc2)CC(NCCO)=O)-c3ccc(cc3)C#N)C#N	271
+c1cc(ccc1C#N)CCCNCCO	132
+c1cc(ccc1[N+]([O-])=O)CCNCCO	132
+c1cc(ccc1COc2cc(OCc3c4c(c(cnc4N)C(NCCO)=O)sc3)ccc2)Cl	2443
+c1cc(ccc1-c2cnnc(NCCO)c2)F	232
+c1cc(ccc1I)NCCO	3436
+c1cc(ccc1Nc2sc(C(c3cc([N+](=O)[O-])c(NCCO)cc3)=O)c(N)n2)N4CCN(CC4)C	205
+c1cc(ccc1[N+]([O-])=O)C(O)CNCCO	122
+C(NCC(O)c1ccc(nc1)Cl)CO	122
+OCCNC(=O)c1nc(c2c(c1O)cccc2)Cl	81
+c1ccccc1C(Nc2ccc(c(OCc3c4c(c(cnc4N)C(=O)NCCO)sc3)c2)C)=O	2443
+c1ccccc1COC(=O)NC(CC2CCCCC2)C(=O)NCCO	9
+c1ccccc1COc2cccc(c2)-c3c(NC(=O)CNCCO)cc(cc3)Cl	402
+c1ccccc1COc2c(CNC(=O)NCCO)cccc2	588
+Clc1cnc2nc(NCCO)c(Cl)nc2c1	464
+Nc1c(NCCO)nc(nc1Cl)C	40
+CC(C)(C)OC(=O)NCCOCCN	37
+c1(cc(F)c(cc1)F)CCNc2nc(OC)nc(Cl)c2	40
+CC(NCCc1ccccc1Br)=O	206
+CC(C)C1C(C(NCCc2ccccc2Br)=O)CC(CC1)C	68
+FC(F)(F)C(NCCc1ccccc1Br)=O	659
+C(CCCC=CCN1C(=O)CCCC1C=CC(=O)CCCCC)(OC)=O	2444
+C(CN1C(=O)CCCC1C=CC(=O)CCCCC)#CCCCC(OC)=O	1278
+C(CN1C(=O)CCCC1C=O)#CCCCC(OC)=O	24
+c12nc(Cl)n(c1cccc2)CCOCC	1088
+COc1cc2OC(C3=C(CCN(CC(C)NCC)C3)c2cc1)=O	87
+N1(CCCC1=O)CCn2ncc([N+]([O-])=O)c2	2441
+CC(C)(C)c1nc(c(-c2ccnc(NCCN3C(=O)CCC3)n2)s1)-c4c(c(ccc4)NS(=O)(=O)c5c(F)ccc(c5)F)F	96
+c12c(cccc1NCCN3CCCC3CO)C(c4c(cccc4)C2=O)=O	205
+C1CN(CCO1)C(=O)c2ccc(s2)-c3nc(ncc3)NCCN4C(=O)NCC4	435
+C1CN(CCO1)c2ccccc2OCC(=O)NCC(O)CN3Cc4c(cccc4)CC3	271
+CC(C)(C)OC(N1CCC(CC1)n2ncc3cc(ccc23)OCC(NCC(O)CN4Cc5c(cccc5)CC4)=O)=O	271
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)O)ccn2)=O	14
+C(C(CNC(c1cccc([N+](=O)[O-])c1C)=O)O)N2CCc3ccccc3C2	14
+C(C(CNC(=O)c1cc(ccc1)Br)O)N2CCc3ccccc3C2	14
+C(C(O)CNC(=O)COc1cc(NC(=O)C)ccc1)N2CCc3ccccc3C2	9
+C1CC1COc2cc3cc(c(NCCNC(C)=O)nc3cc2)C=O	554
+c12ncc(CCc3c(C)cc(cc3)C(NCCNC(C)=O)=O)cc1c4ccc(C)cc4nc2N	93
+c1cc(ccc1)-c2nc(cc(Cl)n2)NCCNC(C)=O	40
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C(=O)NC(CCCNC(=O)N)C(=O)O	2445
+C1CC2(CCN1C(=O)c3cc(NC(=O)NCCC(=O)OCC)ccc3)CNC(=NC(c4nc(c(nc4N)N)Cl)=O)N2	30
+FC(F)(F)c1ccc(cc1)-c2c(cc(cc2)C(CCCCCC)Oc3c(cc(C(=O)NCCC(OCC)=O)cc3)F)C	20
+Fc1ccc(C#Cc2cc(C#N)cnc2)cc1CN(CCC#N)C	48
+FC(F)(F)C(=O)NCCNC	605
+c1cc(ccc1C=2N(C)CCN=2)N	5705
+c1ccccc1C(c2ccccc2)N(CCNC)C	1109
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(nc5ccc4Cl)N6CCC(NCCC#N)C6	286
+C1CC(CCC1)CC(=O)Nc2c(ccc3nc(N4CCC(NCCC#N)C4)ccc23)Cl	286
+[nH]1c2cccc3C4=CC(CN(C)C4Cc(c23)c1)C(N(CC)CCC(OCC)=O)=O	3437
+C(CBr)N(CCBr)C(=O)OCC	66
+c1cc(ccc1N2CCNCC2)NC(=O)CCBr	765
+C(CC)N(CCC)C(=O)CC(C)=O	5706
+C(CN(CCC)CCC(=O)OC)C	3438
+CC(C)(C)OC(NC1=Nc2cc(Br)ccc2C=C(C(=O)N(CCC)CCC)C1)=O	3439
+FC(F)(F)c1cccc(CNC(=O)c2ccnc(-c3cc(ccc3[N+]([O-])=O)N(CCC)CCC)c2)c1	34
+C(CC)N(CCC)CCOCCc1ccc2c(ccs2)c1	123
+C(CC)N(CCC)CCCCc1c(OCCc2ccccc2)ccc(c1)Cl	53
+C(CN(CCC)CCCc1cc(ccc1OCCc2ccccc2)Cl)C	53
+C(CN(CCC)Cc1nc(sc1)-c2ncn3-c4c(c(c(cc4)F)Cl)C(N(Cc23)C)=O)C	2446
+C(CN(CCC)Cc1nc(-c2c3CN(C(c4c(c(ccc4-n3cn2)F)Cl)=O)C)no1)C	960
+C(CC)N(CCC)Cc1nc(sc1)-c2ncn3-c4c(C(=O)N(Cc23)C)cccc4	2446
+C(N(CCC=O)CCC)(Nc1nnc(SC)s1)=O	1110
+C(CCO)N(CCCn1c2c3c(cccc3)nc(N)c2nc1CCCC)Cc4cccc(CC(OC)=O)c4	131
+C1CC(CCC1COCCCCN(CCO)CCO)CN(C)C(Oc2ccc(cc2)Cl)=O	28
+C(CO)N(CCO)c1ccc([N+]([O-])=O)cc1C(NCCOC2CCCCO2)=O	34
+CC1(C)CC(CC(C)(C)N1O)OCC(O)CN(CCO)CCO	170
+C(CO)N(CCO)c1c(cc(cc1F)C#N)F	34
+C(O)CN(CCO)CCCCc1ccc2c(nsc2c1)-c3ccc(cc3)Cl	123
+C(O)CN(CCO)CCCCOc1ccc(cc1)[N+]([O-])=O	28
+c1ccccc1SCCCN(CCO)CCO	53
+n1c2c(nn1-c3c(O)ccc(c3)CN(CCO)CCO)cccc2	131
+c1c2c(ccc1OCCCN(CCO)CCOC)c(Nc3cc([nH]n3)CC(Nc4cccc(c4)F)=O)ncn2	53
+CC(C)(C)OC(N(CCn1cnc(I)c1)CCOC)=O	23
+C(CNc1ccc(CC(=O)O)c(F)c1)CCCCCCCCCCCCCC	3
+CC(C)(C)[Si](C)(C)OCCNc1c2c(cccn2)ccc1	19
+FC(F)(F)c1ccc(cc1)C(=O)COC(=O)C(Oc2ccc(c(C(N)=O)c2F)F)CO	1231
+c1c(c(cc(c1Br)C#N)[N+]([O-])=O)N(C)C(C)CO	34
+c12c(cc(cc1)Nc3c4c(cccc4ncn3)OCC(NC)C)ccn2Cc5ncccc5	1111
+CC(C)(C)[Si](C)(C)OCCOCCC(C)(C)CCO	176
+c1cc(ccc1)[Si](c2ccccc2)(OCCC3(CCCCC3)CCO)C(C)(C)C	328
+CC1(C)OCC(O1)CCCO	1522
+CC(C)(C)c1c(O)c(c(c(C)c1)CC(=O)OCCCCCCCCCCCCCCCCCC)C	456
+C(c1cccc(F)c1)CC=O	24
+Nc1cc2c(cc1)N(CCC2)CCCN(CCO)C	0
+C(CO)N(CCO)c1c(F)cc(cc1F)C(=O)O	329
+c1(nc2c(s1)cccc2)Oc3ccc4c(CCO)coc4c3	1523
+CC(C)(C)[Si](C)(C)OC(Cc1ccc(s1)CCO)=O	5707
+C(COC(CCSc1n(-c2c(F)ccc(c2)F)nc(C(=O)OCC)c1)=O)(CCCC)CC	5708
+C(COC(CCSc1ccc2c(ccc3nnc(-c4ncccc4)n23)c1)=O)(CCCC)CC	1524
+C(COC(=O)OCI)NC(C)=O	5709
+c1cc(ccc1C(C2=C(C)NC(=C(C(=O)OCCC)C2c3c4OC(=CC(=O)c4ccc3)C)C)=O)F	5710
+C1COCCC1(C#N)c2nc(ccc2)Sc3cc4c(cc3)n5c(-c6ncccc6)nnc5cc4	5711
+C(COC(c1cncc(N)c1)=NC#N)C	5712
+C(CO[N+]([O-])=O)NC(=NC#N)c1cncc(N)c1	5713
+FC(F)(F)c1cccc(NN=C(C(=O)OC)C(COC)=O)c1	1894
+FC(F)Oc1c(cccc1)NN=C(C(=O)OC)C(=O)COC	1894
+O=C(C(=NNc1c(F)cc(cc1)I)C(COC)=O)OC	1894
+C(COC)(=O)Nc1cc(ccn1)Oc2c3c(c(cc2)N)cccc3	0
+CC(C)(C)OC(=O)NCCCCn1c2c3c(cc(cc3)OCc4ccccc4)ncc2nc1CCOC	546
+CC(C)(C)c1cc(n(n1)-c2ccc(cc2)NC(CCOC)=O)NC(=O)Nc3ccc(cc3)Oc4ccncc4	26
+c1ccccc1COc2cc3c4c(cnc3cc2)nc(CCOC)n4C	546
+CN(C)CCCNC(CCOC)=O	5714
+C1N(c2nc3c(ncnc3cc2)N)CCCC1NC(=O)CCOC	9
+C1CC(CCC1C(=O)NCc2nccnc2Cl)NCCOC	87
+C1CC1NC(=O)Nc2c(Cl)cc(cc2)Oc3c4c(cc(c(C(=O)NCCOC)c4)OCCOC)ncc3	14
+C1CCCC1Oc2cc(c(F)cc2Cl)NC(=O)C=3CCCCC=3C(NCCOC)=O	3440
+C1CCN(C1)S(=O)(=O)c2c(c(cc(c2)C(=O)O)Br)NCCOC	60
+C1COCCC1c2c3sc(NC(c4cc(ncc4)CNCCOC)=O)nc3c(OC)cc2	1279
+C1COCCN1c2cc(nc(n2)Cl)CNCCOC	294
+N1(CCC(CC1=O)NCCOC)C	5715
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3oc4NC(N(C)C(=O)c4c3-c5ccccc5)=NCCOC	5716
+c1cc(ccc1F)Cc2cnc3c(N(CCCP(OCC)(OCC)=O)C(=O)C(C(NCCOC)=O)=C3O)c2	1112
+FC(F)(F)c1nc(NCCOC)c(cc1)C=CC(NCc2cc(c(NS(=O)(=O)C)c(c2)C#C)F)=O	70
+Nc1ncc(C#N)c(NCCOC)c1	3441
+CC(C)n1c(ncc1-c2ccnc(Nc3ccc(cc3)S(=O)(=O)NCCOC)n2)C=O	3442
+c1c(Cl)c(c(cc1CCNC(C(c2ccc(cc2)O)O)C)Cl)NCC(=O)NCCOC	271
+c12CN(C(=O)c1cccc2[N+]([O-])=O)CCOC	854
+c12c(nc(nc1)NCCOC)nc(C)cc2	785
+O=S(=O)(c1cc2OC(CNCCOC)COc2c(c1)F)C	463
+c1cc(ccc1)CCCOc2cc(C(=O)NCC)ccc2-n3cc(C(=O)NCCOC)nn3	312
+c1ccccc1COC(=O)CN2C(=O)c3c(ccc(c3)N(CCNCCOC)S(=O)(=O)C)C2=O	132
+c1n2nccc2nc(c1)NCCOC	2447
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ccc(CNCCOC)cn4	249
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4n(c(cn4)CNCCOC)C	5717
+C1CN(CCO1)CCOc2c(cc3c(c2)c(c(cn3)C#N)Nc4c(cc(Cl)c(OC)c4)Cl)OCCOC	724
+CC(C)(C)c1nn(-c2ccc(cc2)COCCOC)c(NC(=O)Nc3c(F)cc(Oc4cc(ncc4)C)cc3)c1	5718
+O(C)CCOc1ccnc(Cl)c1	1895
+FC(F)(F)C1CCC(CC1)NC(=O)c2ccc(Cl)nc2OCCOC	91
+FC(F)(F)Oc1ccc(cc1)NC(c2cc(Br)c(nc2)OCCOC)=O	91
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3nc(cs3)C4=NOC(c5c(COCCOC)cccc5)C4	555
+O=Cc1ccc(OCCOC)cc1O	20
+c1cc(C(=O)O)cc([N+]([O-])=O)c1OCCOC	57
+c12c(O)c(C#N)cnc1cc(OCCOC)c(OC)c2	724
+c12c3c(ccc1cccn2)c(cc(C)n3)OCCOC	260
+c1(cc(ccc1F)Br)COCCOC	149
+c1cc(ncc1Br)OCCOC	5719
+O(CC)P(OCC)(=O)Cc1ccc(cc1)Cn2cnc3c(N)nc(nc23)OCCOC	482
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2)C)OCCOC	57
+c1ccccc1COc2cc(OCCOC)ccc2C=CC(=O)OCC	126
+c1ccn(c1)-c2cc(c(cc2OCCOC)N)[N+](=O)[O-]	556
+O=S(=O)(NC(c1ccc2n(c(-c3ccc4n(c5c(cccc5)c4c3)CC)nc2c1)CCOC)=O)C	258
+C1C(NC(c2nc(Cl)c(CC)[nH]2)=O)C(OCCC)CN(C1)c3cccc(c3)C(=O)OC	855
+c1cc(ccc1)COC(=O)c2cccc(c2)C#CCOCCOCCOCCOCCO	121
+C(COCC(=O)NCCOCCOCCOCCN)(=O)O	18
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(OCCOCC)=O	47
+C(COCCC#N)OCC	5720
+n1(Cc2cccc(n2)COCCOCC)nnc3c(-c4oc(cc4)C)nc(N)nc13	1896
+C(COCCC(=N)NO)OCC	409
+C(OCCCl)CC(Cl)=O	130
+FC(F)(F)c1c(N)c(Cl)cc(N2CCOCC2)c1	386
+c1cc(ccc1)COc2cc(F)cc(C3(CCOCC3)C(=O)OCC)c2	5721
+C1COCCN1c2ccc(cc2)Nc3ncn(-c4ccnc(N5CC(C)N(C(C5)C)C(=O)C)c4)n3	386
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5c4cc(c(OCCOCCCl)c5)OC)C)C	72
+FC(F)(F)c1cc(ccc1C#N)N2C(N(CCCC(=O)NCCOCCOCC)C(C)(C)C2=O)=S	9
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCOCC(=O)N	83
+CC(C)(Br)C(=O)OCCOCCOCCN=[N+]=[N-]	5722
+O=S(=O)(OCCOCCOCCN=[N+]=[N-])C	7
+O(CC#C)CCOCCN	18
+C(OCC(=O)O)COCCNC(COCCOCCNC(CCCCCCCCCCCNC(=O)CI)=O)=O	1280
+c1ccccc1COCCOCCOCCOCCOCCOCCO	555
+c1ccccc1COCCOCCOCCOCCOCCOCCO	149
+C1C(CN1C(=O)CCOCCc2ccc3c(ccs3)c2)O	10
+c1cccc(C=Cc2cccn2CCOCCOCC)c1Cl	3443
+CC(C)(C)[Si](C)(C)OCCOCc1nccs1	19
+C(c1ccc2ncccc2c1)n3nnc4c3nc(C(=NOCCO)C)cn4	5723
+COCC#Cc1cc(F)c(Nc2c(F)c(ccc2C(=O)NOCCO)F)cc1	514
+c1cc(c(F)c(Nc2c(F)cc(cc2)C#CCOC3OCCCC3)c1C(=O)NOCCO)F	514
+C(CO[N+]([O-])=O)NC(=NC#N)c1cncc(NC(C)=O)c1	308
+c1c(c(c(Cl)cc1)OCCC)CCN	5724
+C(OC)COc1ccc(CCl)cc1OCCOC	109
+C(COc1c(ccc(c1)OC)Br)C	65
+C(COc1cc(OC)ccc1C#N)C	160
+C(COc1c2c(ccc1)ccnc2Cl)C	174
+CC(C)(C)OC(=O)N(C)CC(COc1ccc(F)c(c1)Br)O	23
+C(COc1ccc(c(c1)O)C)C	606
+O=S(=O)(c1ncnc(c1)OCC#CC)C	3444
+c1c(C(OCC)=O)cc(c(Br)c1OCC)OCCC	116
+c1cc(ccc1C)S(=O)(=O)Nc2ccc(Oc3cc(c(cc3)[N+](=O)[O-])OCCC)cc2C(OC)=O	46
+O(C(CCCOc1ccc2nc(cc(c2c1)OCCCOc3c(nc(N)nc3N)CC)C)=O)CC	2448
+c1cc(ccc1N=Nc2cc(c(cc2C)N)OCC(CCCC)CC)CCCC	725
+C(COc1cc(N)c(C)cc1)C	0
+C(COc1ccc(C)cc1N)(CCCC)CC	0
+c1c2ncccc2ccc1OCCCNCC3Oc4c(OC3)ccc(c4)O	5
+c1c(C(=O)O)cccc1OCC(Nc2cccc(C#N)c2)=O	1
+C1(c2c(C(=O)N1CC(O)COc3cccc(C=O)c3)cccc2)=O	851
+C(Oc1cccc(N)c1)CN	15
+O=S(=O)(c1ccccc1)N2CCN(CC2)CCOc3cc(Nc4c5c(nc(C)c4)cccc5)ccc3	53
+C(COc1cccc2cc[n+](cc12)[O-])C	103
+C(COc1c2c(ccc1)cc[n+]([O-])c2Cl)C	375
+C1CCC(C1)NCCCOc2ccccc2NC(=O)c3cccc4[nH]ccc34	132
+S(Cc1nccc(OCCO)c1C)c2[nH]c3c(ccc(OC)c3)n2	602
+CC(C)(C)[Si](C)(C)OCCOc1c([N+](=O)[O-])c(cc(Cl)n1)N	19
+OP(O)(=O)COCCOn1c2c(nc1)c(ncn2)N	228
+C1CC(CCN1C(=O)C)c2nc(Nc3ncc(SCCC(OC)=O)cc3Oc4ccccc4)sc2	3445
+c1(c2[nH]c(C(=O)NC3Cc4ccccc4C3CSCCC(OC)=O)cc2sc1Cl)Cl	786
+c1ccccc1COc2c(cccc2CC(O)CSCCC(=O)OC)C3CCCC3	5725
+CC(C)(C)OC(=O)NC(C(=O)NCCS)C(C)C	5726
+CCOc1cccnc1CSCCN	3446
+CN(C)Cc1nc(CSCCN)ccc1	5727
+c12cc(C)ccc1N(CCCCCC)C(C(C3NCCS3)=C2OC)=O	5728
+c1cc(ccc1C2=NCCS2)CNS(=O)(=O)c3ccc(cc3)F	5729
+CC(C)(C)OC(n1c2ccc(cc2cc1C(=O)OCC)OCCSC)=O	20
+S(CCOc1c([N+]([O-])=O)cccc1)C	57
+c1nc(ncc1OCCSC)NC(=O)CCCCC	1897
+O=S(=O)(CCCl)CCC(NCCSC=C)=O	68
+c1(Nc2nccc(CSCCO)c2)cc(c(cn1)F)-c3c(OC)cc(cc3)F	346
+n1c(ncc(CC2=CC(=O)N(CCCC)C=C2)c1O)NCCSCc3nc[nH]c3C	1898
+N#CC(C#N)=C(NCCSCc1c([nH]cn1)C)SC	5730
+n1c(ncc(c1O)Cc2ccc(nc2)OC)NCCSCc3nc[nH]c3C	1898
+C(CSc1ccnc(CSc2nc3ccccc3[nH]2)c1C)CCSCCn4c(cnc4C)[N+]([O-])=O	602
+C(CSc1c(c(ncc1)CCl)C)CCSCCn2c(cnc2C)[N+]([O-])=O	515
+c1ccc(cc1OCC)CCN	157
+c1cc2c(cc1CCN)NC(=O)C(C)O2	157
+C[Si](C)(C)OC(CCCC)(CC=C[Sn](CCCC)(CCCC)CCCC)C(F)F	2449
+C(CC)C[Sn](CCCC)(CCCC)C=CCC(CF)(CCCC)O[Si](C)(C)C	2449
+CCCC[Sn](CCCC)(CCCC)c1nccc(Cl)n1	5731
+c1(cccc(C)c1CNc2cc(Cl)nc(C#CC)c2[N+]([O-])=O)C	5732
+CCCC[Sn](CCCC)(CCCC)c1sccc1P(OCC)(OCC)=O	2450
+CCCC[Sn](CCCC)(CCCC)c1nccc(c1)OCC2CC2	3447
+C(C)CC[Sn](CCCC)(CCCC)c1sc(nc1)C2(CCC2)OCOC	5733
+CCCC[Sn](CCCC)(CCCC)c1sc(cc1)C2OCCO2	2450
+C(C[Sn](CCCC)(CCCC)c1oc(nc1)C(C2CCc3cc(ccc3C2)-c4ccccc4)O[Si](C)(C)C(C)(C)C)CC	5734
+CCCC[Sn](CCCC)(CCCC)c1nc(ccc1)OC(C)C	3447
+C(CC)C[Sn](CCCC)(CCCC)SCC	3448
+C(C[Sn](CCCC)(CCCC)c1c2ccc(cc2n(n1)C)Cl)CC	5735
+CCCC[Sn](CCCC)(CCCC)c1cn(-c2nc(C(F)(F)F)cc(-c3cc(Cl)c(Cl)cc3)n2)cn1	5736
+CCCC[Sn](CCCC)(CCCC)SC	3448
+C(CCC)[Sn](CCCC)(CCCC)c1cccnc1F	5737
+CCCC[Sn](CCCC)(CCCC)c1sc2ccccc2n1	5738
+C(C)CC[Sn](CCCC)(CCCC)c1ccc(F)cc1C#N	5739
+CCCC[Sn](CCCC)(CCCC)c1ccc(-c2ccc(cc2)OC)s1	2450
+C[Si](C)(C)CCOCn1cc(c2nc(-c3c4c(n(C)n3)cc(cc4)Cl)cnc12)C=O	5740
+FC(F)(F)c1nn(-c2cnc(cc2)S(=O)(=O)N)c(-c3ccc(cc3)-c4cscn4)c1Cl	5741
+CC(C)(C)[Si](C)(C)OC(C1Cc2ccc(Oc3ccccc3)cc2CC1)c4ncc(-c5nc(C(=O)OC)ccc5)o4	3449
+CC(C)(C)[Si](C)(C)OC(C1Cc2ccc(cc2CC1)-c3ccccc3)c4oc(-c5ncccc5)cn4	3449
+c1c(OC(Cc2c(C)ccc3c2cccc3)C)c([N+]([O-])=O)ccc1	57
+C(Cc1cc(N)ccc1Cl)(OCC)=O	0
+Clc1cccc(Cn2c(c(CC(OCC)=O)c3cc(OC)ccc23)CC)c1	962
+n1c2c(ccc1Cc3c4cc(C#N)ccn4c(c3C)CC(=O)O)cc(cc2)F	3
+CN(C)C=C(C(=O)OCC)c1ccc(cc1OC)C#N	5742
+n1ccc2n1c(Cl)c(c(n2)Cl)CC=O	465
+n1ccc2n1c(Cl)c(CCCO)c(n2)Cl	347
+c1(C=O)ccc2c(ccc(Cl)c2CC(OCC)=O)c1	3450
+c1cc(ccc1F)S(=O)(=O)c2c(cccc2)Cn3c(C)c(c4ccc(F)cc34)CC(=O)OCC	190
+c1c(OC)ccc2c(CCO)coc12	44
+c1c(c(ccc1C)[N+]([O-])=O)CC(=O)O	3
+c1(Cl)cc(CC(OCC)=O)c(cc1O)C	5
+CC(C)(C#N)c1cc(OC)c(OC)cc1	2451
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c3cc(CCC)cc(CCC)c3	92
+O(CC)c1cc(c(cc1)[N+]([O-])=O)CC(=O)OCC	57
+CC(C)(C)OC(=O)NC(C(N1CCN(CC1CC)C(Cc2ccc3ccccc3c2)C(OC)=O)=O)Cc4ccc(cc4)Cl	10
+O=C(Cc1cc(c(-c2ccc(cc2F)F)cc1)F)Cl	130
+CC(C)(C)C(NC(Cc1ccc(C)c(F)c1)=O)n2c3ccccc3nn2	5743
+CC(C)(C)OC(=O)Nc1ccc(nc1)CC(OCC)=O	970
+COc1ccc(c([N+]([O-])=O)c1)CC(=O)O	3
+C(Cc1ccc(N)cn1)(OCC)=O	13
+C(c1cccc(n1)N)CO	44
+C(c1cccc(n1)N)CS	1113
+CC(C)(C)OC(=O)N(CCc1ccccc1Cl)CCCSCCO	23
+O=S(=O)(c1ccc(cc1)F)NCCc2n(ccc2)C	71
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CCCCNC(CCc4cnccc4)=O	248
+c1cc(ccc1NCCc2cnccc2)[N+](=O)[O-]	60
+C(Cc1c(c(c2cc(C#N)ccn12)Cc3nc4c(cc3)cc(cc4)F)C)(OCC)=O	5744
+C(c1nc(Cl)ccc1)CO	44
+n1c(NC)cccc1CCO	44
+C(OC(=O)CNCCCc1nc(ccc1)Br)C	5745
+COc1nc(CCO)ccc1	44
+c1cc(ccc1CC(NCCN(C)C)=O)NC(=O)CCc2onc(n2)-c3cc4c(cccc4)cc3	33
+C(CCC)c1nc(nn1Cc2ccc(Br)nc2)CCCC	5746
+CCCCCCCCCCCCc1ccc(C(O)=O)s1	3451
+C1CCc2ccc(cc2-c3nc(NC(CCCCBr)=O)sc13)F	290
+c1ccccc1CNC(c2sc(NC(CCCCBr)=O)nc2C)=O	290
+c1cc(ccc1NC(CCCCC)=O)C(=O)OC	26
+c1ccccc1C2C(N(C(=O)CCCCC)C(O2)=O)C	1840
+C(c1sccc1)(CCCCC)=O	1808
+c1nc(ncc1OC)NC(=O)CCCCC	784
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(CCCCCl)=O	3308
+CC(C)C(NC(CCCCCl)=O)C(=O)OC	726
+o1c2c(c(c1C(CCCCCl)=O)C)cc(OC)cc2	5747
+C(CCCCCl)(c1cc(Cl)c(NC(C)=O)cc1OC)=O	94
+c1c([N+]([O-])=O)cc(NC(CCCCCl)=O)cc1C(=O)OC	26
+c1cc(ccc1C(OC)=O)-c2c(cc(NC(CCCCCl)=O)cc2)C	26
+c1ccccc1C(CCCCCl)=O	94
+O=C(NNc1ccc(cn1)F)N2C(C)CCCC2	2452
+n1n(c(C(N)=O)c(NC(c2ccccc2OCC=C)=O)c1CCC)C	3452
+S1c2cccc(c2C(c3c1ccc(C)c3)=O)C(=O)OCCCCCCCCCCCC	279
+CC(C)Oc1ccc(cc1)-c2ccc3oc(-c4cc(ccc4Cl)[N+](=O)[O-])nc3c2	2453
+CC(C)NC(=O)CNC(=O)c1cc(ccc1[N+]([O-])=O)F	5748
+C1CN(CCC1(CNC(c2ccccc2OC)=O)c3ccccc3)Cc4ccccc4	93
+c1(-c2ccccc2OC)nc3ccc(cc3c(O)n1)F	5749
+NC(c1sccc1NC(c2ccccc2OC)=O)=O	3453
+c1c(cccc1Nc2nc(ccn2)-c3c(-c4cc(NC(c5ccccc5OC)=O)ccc4)nn6ccccc36)F	50
+c1cnc(C(=O)c2ccccc2OC)n1CC(c3ccc(c(c3)Cl)Cl)CCOC4OCCCC4	5750
+c1c(CCC)c(c(C(N)=O)nc1)NC(c2ccccc2OCC)=O	660
+NC(=O)c1c(C)nn(CCC)c1NC(c2ccccc2OCCC)=O	330
+c1cc(ccc1C#N)CC(NC2CCN(CC2)C(CO)C)=O	3357
+c1cc(ccc1OC)C(=O)c2c(Cl)c(C)ccc2	222
+n1cnsc1-c2nnc3CN(C(=O)c4c(c(Cl)c(F)cc4)C)CCn23	115
+c1(c(cccn1)C(=O)N)Nc2cc([N+]([O-])=O)ccc2	3454
+CC(C)(C)[Si](C)(C)OCc1ccc2c(nc(CN(C(=O)c3c(ccc(F)c3)F)CCC)n2CCC)c1	115
+COc1nccc(c1)NC(c2cc(ccc2F)F)=O	50
+FC(F)(F)C1CCC(CC1)NC(c2ccc(nc2Cl)Cl)=O	1281
+c1cc(c(Cl)nc1Cl)C(N(OC)C)=O	5751
+c1cc(ccc1C(N2Cc3ccnn3Cc4ccccc24)=O)NC(=O)c5c(c(F)ccc5)C	50
+N=1NC(=O)N(c2cccc(I)c2C)N=1	5752
+O=S(=O)(Nc1ccc(c(c1Cl)NC(c2c3c(c(Cl)ncn3)ccc2)=O)Cl)CCC	971
+O=S(=O)(CCC)Nc1c(F)c(NC(c2cccc3c2ncnc3Cl)=O)c(cc1)F	971
+c1cc2c(cc1)N(CC3CCCCCN23)CC(N)=O	5753
+CC1(C)OCc2c(c3c(c(C(=O)N)sc3nc2N4CCCC4)N)C1	3455
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc3oc(C(=O)N)cc3c2	5754
+C(COc1cccc(N)c1)(N)=O	648
+c1ccccc1-c2c(c3c(nn(c3nn2)CC(=O)N4CCC(F)C4)I)Cl	3456
+[O-][N+](c1cc2nc(sc2cc1)SCC(N3CCCc4ccccc34)=O)=O	5755
+c1(ccc(C(=O)NCc2c(OCC(=O)NC)cc(cc2)C#N)cc1C)F	648
+ClC(Cl)=C(Cl)c1cc(O)c(cc1)CNC(=O)CCl	3457
+c1cc(ccc1Cl)C(c2cn(c(C(=O)CCl)c2)C)=O	787
+CC(C)(C)c1cc2OC3(CCCCCC3)Cc2cc1OCC(=C)C	1282
+CC(C)C(O)(CC(C)=C)CCNC(c1ccc(cc1)Br)C	5756
+C(Oc1cccc(OC)c1I)C(=C)C	1282
+O(CC(=C)C)c1c(NC(C)=O)cccc1	1282
+O(CC(=C)C)c1c(C)c(C)c2c(c1)CCN2C=O	1282
+CC(C)(C)N1CC(C1)OCc2ccccc2	5757
+n1n(cc([N+]([O-])=O)c1)CC(NC(C)CO)=O	1114
+c1(c2cccnc2[nH]c1)CCCl	1283
+C1CC(CCN1CC(=O)c2ccc(c(F)c2)O)(O)c3ccc4CCOCc4c3	1498
+c1ccccc1COc2c(F)cc(C(=O)CCl)cc2	22
+n1ccncc1C(CCl)O	3458
+c12ccc(c(c1occ2CC(=O)O)Cl)O	5758
+c1ccccc1COc2ccc3c(c2)OC(C=C3CCl)=O	22
+c1nc(n2c1cncc2)CCCl	856
+CN(C)CCC(=O)Nc1cccc([N+]([O-])=O)c1	2454
+CC(C)(COC)C1N2C(=CC(C(C(OCC)=O)=C2)=O)c3cc(c(cc3C1)OCCC4CCCN4C)OC	72
+C1(CCCN1C)CCN2c3ccc([N+]([O-])=O)cc3OCC2=O	1525
+c1(OC)n(c2nc(nc(N)c2n1)OCCCC)CCCCl	637
+C1(C2(C)C(CC1)C3C(C4(C)CCC(CC4=CC3=NOCCCCl)OC(=O)C)CC2)OC(C)=O	1071
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(ccc(OCCCCl)c4)Cl	8
+n1n(C)c(OCCCCl)cc1C(=O)OC	5759
+CC(C)(C)NC(CN1C(=O)c2cc(ccc2C=C1c3cc(c(F)cc3)OC)OCCCN4CCCC4)=O	5760
+C1CC(CCN1CCCCl)n2ccc3ccccc23	28
+C1CN(CCN1CCCCl)C=O	28
+C1CN(CCN1CCCCl)Cc2ccc3ccccc3n2	28
+CC(C)(C)OC(=O)N1CCC(C1)N(CCCCl)c2cc(Cl)c(cc2)F	936
+CC(C)(C)OC(=O)N1CCN(CC1)CCc2ccc(cc2)OCCCCl	8
+CC(C)(C)c1nc(cc(C2CC2)n1)N3CCN(CC3)CCCCl	28
+CC(C)(C#N)CCCCl	2455
+CC1(C)C(N(c2c(N(C)C1=O)cc(OCCCCl)cc2)CC)=O	8
+c1cc(ccc1OCCCN2CCCC(C2)C)C=O	5761
+C(CCl)CN1C(=O)c2c(C(=N1)C)cc(OC)c(OC)c2	5762
+C(Oc1ccc(C(=O)C)c(C)c1)CCCl	8
+Cc1c2c(n(C)c1)C(CCN(C2=O)CCCCl)=O	3459
+c12c(nc(C)cc1)cccc2-c3nnc(SCCCCl)n3C	5763
+Cc1c(-c2nnc(SCCCCl)n2C)sc(C)n1	5764
+O=S1(=O)N(CCC(=O)c2n(C)ccc12)CCCCl	831
+c1(Cl)cccc(Cl)c1C(=O)NC(C(OC)=O)Cc2ccc(cc2)OCCCCl	8
+c1(cccc(-c2cnn(CCCCl)c2)n1)C(=O)OC	338
+c1(cccc(OCCCCl)c1)Br	8
+S(C)c1c2Sc3ccc(OC)cc3N(c2ccc1)CCCCl	2396
+c12cc(cc(c1c(ncn2)Nc3cc(Cl)c(F)cc3)OC4CCOC4)OCCCCl	8
+c1cc(OCCCCl)c(F)cc1Br	8
+c12c(cccc1)Oc3c(cccc3)N2CCCCl	2396
+c1cc(F)cc(N2C(SCC(=O)OCC)=Nc3scc(c3C2=O)-c4ccccc4OCCCCl)c1	8
+c1cc(ccc1)N2c3c(cccc3)CC(CCCCl)C2=O	5765
+c1ccccc1OCCCCl	8
+c1ccccc1SCCCCl	636
+c1cc(ccc1-c2n3c(ccn3)nc4CCCCCc24)OCCCCl	8
+c1cc(ccc1OCCCCl)C=C(C)C(OC)=O	8
+c1cc(ccc1CCCCN2C(CCC2)CN3C(=O)c4c(C(Cc5ccc(cc5)Cl)=N3)cccc4)OCCCCl	8
+c1cc(ccc1COc2c(cc(cc2)C(=O)c3cn(c4ccccc34)CCCC(=O)OCC)OCCCCl)C	8
+c1cc(ccc1F)-n2c(N)c(cn2)C(=O)c3cccc(c3)NCCCCl	601
+c1cc(ccc1-c2ccc(cc2)OCCCCl)C(OC)=O	8
+c1cc(ccc1OCCCCl)-c2ccc(cc2C)C#N	8
+c1cc(ccc1C(N)=O)OCCCCl	8
+c1cc(ccc1OCCCCl)C(=O)OC	8
+c1cc(ccc1OCCCCl)NC=C2c3ccccc3NC2=O	8
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(c(cc45)OC)OCCCCl)C)C	8
+C(Oc1cccc(c1)C(=O)OC)CCCl	8
+c1(c(c2c(OCC(N2CCCCl)=O)cc1)F)F	727
+c1(Cl)c(CC)c(c2c(N(CCCCl)C(CO2)=O)c1)Cl	727
+CC(C)(C)c1cc2N(C(COc2cc1)=O)CCCCl	727
+CC(C)c1cc(c(C)cc1OC)C(CCCCl)C(=O)OC	434
+FC(F)(F)c1cc(Cl)ccc1C(C(=O)OC)CCCCl	434
+C1COC(O1)(CCC#CCCCCl)C	5766
+O=S(=O)(c1ccc(c(F)c1F)F)CCCCl	2456
+O=S(=O)(CCCCl)c1cc(c(cc1)O)C(=O)O	5767
+C1(N(CCCCl)c2c(CC1)cc(F)c(F)c2)=O	727
+C1(CCc2c(ccc([N+]([O-])=O)c2)N1CCCCl)=O	727
+C1CSc2cc([N+]([O-])=O)ccc2N1CCCCl	2457
+C(Oc1cncc(Br)c1)CCCl	788
+Clc1c(SCCCCl)c([N+]([O-])=O)ccc1	972
+c1cc(ccc1[N+]([O-])=O)SCCCCl	411
+c12cc(C3=CC4N(CCOc5cc(cc6cccnc56)OC)C(C3)CC4)ccc1cccc2	2430
+O=C(NCCn1ncnc1)N2C(=O)CCC2	3460
+N1(CCNC1=O)c2cccnc2	3461
+FC(F)(F)c1cc(-c2ccc(cc2)-c3cc(ccc3)S(=O)(=O)C)n(CC(OCSC)=O)n1	5768
+c1(c(NC(C)=O)ccc(c1)OCSC)[N+]([O-])=O	3462
+c1(C=O)cccc(OCSC)c1	3462
+c1(CC#N)c(Oc2cc(ccc2)F)cccc1	177
+c1ccnc(N)c1OCc2c(Cl)cccc2	1900
+c1cc(ccc1)C(Oc2cc(Cl)c(c(c2)Cl)OCc3ccccc3Cl)=O	139
+O(Cc1c(Cl)cccc1)c2c3n(ccc2)cc(C)n3	5769
+CC(C)(C)OC(NC1C(N(Cc2cnccc2)CC(O[Si](C)(C)C(C)(C)C)CC1)=O)=O	3463
+C1CN(CCN1Cc2cnccc2)c3nc(nc(NCCc4ccc(cc4)O)n3)N(C)CCCc5ccc(cc5)Cl	3464
+c1cc(ccc1-c2c(c(SCc3cnccc3)nc(c2C#N)N)C#N)OC4CCCC4O	5770
+n1c(SCc2cc(F)ncc2)c(ccc1)C(=O)O	3465
+C1CCCN1Cc2cnc3c(nc(-c4c(cccc4)[N+](=O)[O-])s3)c2	3464
+c1(C)scc(CSc2nc3c(c(n2)NC(C)CO)sc(N)n3)n1	5771
+Clc1c2c(nc(CCl)n1)cc(OCC)c(OCC)c2	64
+C(CSc1ccnc(c1C)CO)CCSCCn2c(cnc2C)[N+]([O-])=O	1105
+NCCn1c2c(cc(C(=O)N3C4C(CCCC4)CCC3)cc2)nc1	18
+c1c(CN)c2c(cc1)ccn2CC(=O)O	388
+C(Cn1c2c3c(cccc3)nc(N)c2nc1CCC)CCCC(=O)N	461
+C(Cn1c(nc2c[n+]([O-])c3ccccc3c12)CCC)CCCC(=O)N(OC)C	359
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)N(OC)C	164
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)O	3
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)N	728
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(O)cc4c(C(=O)C)c3	348
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(cc4c(C(=O)C)c3)C(=O)OC	348
+Nc1ncn(CCC#N)c1	1901
+CC(C)(C#N)c1cc(C)c(C(C)NC(=O)Cn2c3c(cccc3nc2)F)cc1	2458
+c1(C(O)=O)nn(CCCCC)c2ccccc12	1
+n1cc2cc([N+]([O-])=O)ccc2n1CC(C#N)(C)N	661
+O=C(OC)C(CF)(Cc1cc(ccc1)O)N	27
+c1cc(ccc1OCC(C(CF)(CF)C)=O)Cl	717
+C(F)C(CF)(C(=O)Cn1ncnc1)C	5772
+FCC(CF)(C)c1noc(N)c1	2459
+c1cc(ccc1C)S(=O)(=O)OCCOCCF	36
+C1CN(CCN1c2n3c(ccc2)nc(c3)CN(C4c5c(OCC4)cccn5)C)C	1902
+c1c2n(c(c(n2)CN(C)C3c4c(CCC3)cccn4)Br)c(cc1)F	973
+C1CN(CCN1c2cccc3nc(CN(C)C4CCCc5c4nccc5)cn23)CC	1902
+c1c(I)cc2c([nH]nc2C(N(OC)C)=O)c1	184
+C(N(C)c1n[nH]c2ccc(N)cc12)C(NC)=O	0
+O=S(=O)(C)Nc1cc(cc(N(CCC)C)n1)C(OC)=O	5773
+s1c(N2C(O)CCN(CCC)C2=O)nnc1SC	1903
+c1cc(ccc1)CCN2C3C(c4cccc(OC(=O)N(C)C)c4CC3)CC2	5774
+Clc1cc(c(cc1)C(C2CC2C#N)=O)F	586
+FC(F)(F)c1cc(F)c(cc1)C(=O)C2CC2C#N	586
+N#CC1CC1C(c2ccc(cc2Cl)F)=O	586
+c1cc(ccc1Cl)S(=O)(=O)NC2CCCCC2C(N)=O	71
+c1ccccc1CNc2c(cnc(c2)Cl)CC(N)=O	105
+C(=O)(C(NC(C)=O)CSC)O	3466
+C(C)(c1ccc2N(C(Sc2c1)=O)COC)C(N)=S	199
+Clc1cc(ncc1)C(C)Nc2nc3c(o2)c(cc(c3)C(=O)OC)OC	1527
+CC(C)(C)OC(NC(C=1N=C2SC=C(C)N2C(=O)C=1Br)C)=O	5775
+CC(C)(C)OC(NC(Cc1ccccc1)C(=O)NC(CCCNC(N[N+]([O-])=O)=N)C(O)=O)=O	5776
+CC(C)(C)OC(NC(C(O)=O)CCl)=O	5777
+Oc1c(CNC(CO)C(=O)O)cccc1	1528
+O=S(=O)(c1ccccc1)NC(CO)C(=O)O	592
+CC(C)(C)OC(=O)NC(Cc1sccc1F)C(O)=O	403
+n1c(Nc2c(cccc2)OCCC)scc1C3=Cc4cccc(Cl)c4OC3=O	3467
+C(N)(Nc1cccc(CC2CCCN2CC)c1)=O	5778
+CC(C)(NCC(F)(F)CN)C(=NO)CCn1c([N+]([O-])=O)ncc1	5779
+O=S(=O)(c1c(Cl)cc(cc1)Cl)NCC(O)CN	71
+C1CC(CCC1N(Cc2cc(OC)ccc2)C)N(c3cc(Cl)cc(C(NCC4=C(C)N(NC4=O)C)=O)c3C)CC	2460
+c1cc(ccc1)C=C(C)CNCCC2N(CCC2)C	5780
+C1CC(CCN1CCCN)(C(=O)OC)c2ccccc2	28
+C(c1ccc2OCOc2c1)NCCCBr	42
+CC(C)(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCCBr	1904
+c1ccccc1NC(=O)NCCCBr	282
+n1c(c2c([nH]cc2)nc1Cl)NCCCCCN	974
+c1cc(ccc1NC(=O)NCCCCl)[N+](=O)[O-]	282
+c1ccc2Oc3c(cccc3)-c4c(-c2c1)c(sc4)COCCCN	649
+c1cc(ccc1-c2nc3cc(ccn3c2)NCCCF)OC	5781
+c1cc(ccc1)-c2ccc3c(c(cnc3c2)[N+](=O)[O-])NCCCN4C(=O)CCC4	105
+FC(F)(F)C(NCCCNC)=O	605
+O=S(=O)(c1ccccc1[N+]([O-])=O)N(C)CCCN	92
+CCOC(c1cc(c(NCCCOC)nc1)[N+](=O)[O-])=O	70
+C(OC)CCNc1nccc(-c2nc3c([nH]2)ncc([N+]([O-])=O)c3)c1	70
+c1cc(ccc1)C(N(S(=O)(=O)c2ccc(cc2)Cl)Cc3ccc(cc3)C(=O)NCCCOC)CC	14
+c1cc(ccc1)COc2cc(c(Br)cc2C(=O)NCCCOC)OCc3ccccc3	14
+c1cc(ccc1CCNCCCOC)-c2nc(c(nc2)N)C(=O)Nc3cccnc3	285
+C1CN(CCO1)c2nc(c(-c3ccnc(NCCCSC)n3)s2)-c4cccc(NS(=O)(=O)c5c(cccc5F)F)c4F	96
+S(C)C(=C[N+](=O)[O-])NCCCSc1ncco1	3468
+c1nc(c[nH]1)CNC(c2sc(cc2)Cl)=O	227
+C1CC1c2sc3NC(=O)N(C(=O)c3c2)Cc4ccc(cc4OC)OC	5782
+CC(C)(C)[Si](C)(C)OCc1n(C)c2c(cc3C(CCCCc3c2)=NCc4ccc(OC)cc4OC)c1	1529
+CC(C)(C)[Si](C)(C)OCc1n(C)c2c(cc3C(CCCCCc3c2)=NCc4ccc(OC)cc4OC)c1	1529
+CC(C)(c1cc(NCc2ccc(cc2OC)OC)nc(C)c1)O	70
+c1cc(ccc1)C=Cc2nccc(-c3[nH]c(c(C(NCc4ccc(cc4OC)OC)=O)c3)C(C)C)c2	56
+C1(c2cc(CC)sc2NC(N1Cc3ccc(cc3OC)OC)=O)=O	5783
+c1ccccc1CS(=O)(=O)NCc2c(OC)cc(OC)cc2	111
+C(c1c(cc(OC)cc1)OC)Nc2nc3c(cc(F)cc3)nc2OC	1284
+c1ccccc1N2c3c(nc(NCc4c(OC)cc(OC)cc4)cc3)CN(Cc5ccccc5)C2=O	182
+c1cc(ccc1)COc2cccc(CS(=O)(=O)NCc3c(OC)cc(OC)cc3)c2	111
+c1cc(ccc1OCc2ccccc2)CS(=O)(=O)NCc3c(OC)cc(OC)cc3	111
+[O-][N+](c1ccc2nc(ccc2c1)NCc3c(cccc3)OC)=O	554
+c1(ccccc1CNc2ccc3cc(ccc3n2)Br)OC	554
+C1CN(CCN2C(=O)C=Cc3ccc(C#N)cc23)CC(OC)C1NCc4ccc5c(n4)NC(=O)CO5	294
+C(N1C(=O)C=Cc2ncc(OC)cc12)CN3CC(CCC3)CNCc4nc5NC(=O)COc5cc4Cl	294
+C1CCCN(CC1)CCCOc2ccc(cc2)CCCCN3C(CN4C(=O)c5ccccc5C(Cl)=N4)CCC3	123
+C(CCC)N1C(=O)c2c(nc(C(N)=O)n2CC=C)N(C1=O)CCCC	5784
+CC(C)OC=1C=C(C)N(C(=O)C=1[N+](=O)[O-])CC(=O)OC	5785
+FC(F)(F)S(=O)(=O)OC=1C=C(C)N(C(=O)C=1[N+](=O)[O-])CC(=O)OC	5786
+C(N1C(C(O)(c2c(Br)cccc12)c3cc4c(cc3O)OCC4)=O)c5ncccc5	1115
+c1(CN2C(CN)CN(c3cc(cc(Br)c3)OC)CC2)ccc(OC)c(c1)OC	15
+C(c1ncccc1)N2C(=O)C(c3c(cc4c(CCO4)c3)O)c5c(Br)cccc25	462
+C(N1c2c(c(Br)ccc2)C3(COc4cc5c(cc34)CCO5)C1=O)c6ncccc6	20
+C(N1C(c2c(C(=C1)C(=O)OC)cc(c(c2)OC)Br)=O)C	1078
+OB(O)c1cc2C(=CN(CC)C(c2cc1OC)=O)C(OC)=O	5787
+C(C1=CN(C(c2c1cc(c(OC)c2)OCCc3nc4c(cc3)cccc4)=O)CC)(=O)OC	126
+CC(C)(C)OC(CC(C(O)CF)NC(C(C)N1C=CC=CC1=O)=O)=O	9
+C(CN1CCCC1CO)N	51
+c1(cc(cc(F)c1-c2sc(Nc3nc(ccc3)CN4CCOCC4C)c(c2)C(=O)N)C(C)(C)O)F	2461
+C1c2cc(ccc2CCN(CCC)C1)CO	98
+C(N1c2cccc(-c3cnccc3)c2C4(COc5cc6c(cc45)CCO6)C1=O)c7ncccc7	305
+C(N1c2c(ccc(c2)-c3nc(cs3)C(=O)O)CC1)(Nc4sc5c(cccc5)n4)=O	6
+C1(=O)C(C(Nc2[nH]nnn2)=O)=Nc3c(cccc3)N1CCO	5788
+C(N1c2ccccc2N=C(C(Nc3[nH]nnn3)=O)C1=O)COC=O	5789
+c1cc(ccc1NC(NC(c2c([N+](=O)[O-])cccc2)=O)=O)Sc3ncc(cn3)Br	2462
+NCC1Cc2c(O1)c3c(c(c(nc3c(C)c2)O)C)C	18
+O=S(=O)(N1C(CC(F)C1)C(=O)NCc2ccnc(Br)c2)c3ccc(cc3)F	3469
+COc1cc2c(C(CNC(C)=O)=O)cccc2cc1	155
+CC(C)n1nc(I)c(-c2nc(NCC(C)NC(=O)OC)ncc2)c1	96
+N(=[N+]=[N-])CC(NC(=O)OC)C	600
+C1CC1NC(Nc2ccc(cc2)-c3nc(N4C(COCC4)C)c5CN(C(=O)CCNC(N)=O)Cc5n3)=O	10
+c1cc(ccc1CCCN(CCNC(c2c(N)nc(N)c(Cl)n2)=O)C)OCC(OC)=O	28
+c1(NC(=O)CCNC(c2sc(cc2)Cl)=O)c(C(=O)OC)cc(N3C(=O)C=CC=C3)cc1	33
+[nH]1c(c(c2c1cccc2)CC)CNC	729
+C(C1=CC(C)(COC)Oc2ccc([N+]([O-])=O)cc12)(=S)NC	5790
+CC(C)(C)OC(N(C)Cc1ccccc1I)=O	23
+C(C1C(CC(O)C1)C(=O)N(CCCCC=C)C)(NC2(CC2C=C)C(=O)OCC)=O	10
+N1C(C2CC(CC2C(N(CCCCC=CC3C1(C(OCC)=O)C3)C)=O)OCOCC)=O	2463
+c1ncc2cc(Br)ccn12	1905
+CC(C)(C)OC(N(CCO)CC(O)c1cnc(Cl)cc1)=O	23
+C(c1cc2sc(NC(NCC)=O)nc2cc1)(=O)O	5791
+C(OC(N(CCCC)CCO)=O)C	66
+C(CCNC(c1ccc2ccccc2c1)=O)C=O	24
+CC(C)(C)OC(NC=1CC(C(N(CCCF)CCC)=O)=Cc2ccc(Br)cc2N=1)=O	3439
+c1cc(ccc1CN(CCCN2C(Nc3c(nc(nc23)OCCCC)N)=O)CCCO)CC(=O)O	48
+c1cc(ccc1OCC(O)CNCCNC(=O)Nc2ccc(O)c(F)c2)OCCOC3CCCC3	122
+C(NCCO)(c1c(Nc2c(cc(CC)cc2)F)cc(O)nc1)=O	1818
+c1cc(ccc1)CN2CCC(CC2)N(CCCO)CCO	85
+CC1(C)C(N(CC)c2ccc(CN(CCc3cccnc3)Cc4scnc4C)cc2N(C)C1=O)=O	48
+c1c(O)c(C=2OC(NN=2)=O)ccc1	5792
+c1(cc(ccc1)C#N)-c2nnc(o2)-c3cccnc3	5793
+O=S(=O)(C)N(Cc1cccc(CC(=O)OC)c1)CCCc2c(C)nc(nc2NCCCCC)N	112
+c1cc(C)nc2NCC(Nc12)=O	1530
+CCOC(=O)CCCCCCCCCCCn1c(nc2cnc3ccccc3c12)CCC	730
+c1ccccc1-c2c3c(nccc3sc2)NCc4ncccc4	5794
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCC(=O)Nc4c(O)ccc(C)c4	1531
+C(Nc1cccc(N)c1)(C=C)=O	0
+c12cc(OC)cc(c1c(Nc3cc([nH]n3)CC(Nc4cccc(c4)F)=O)ncn2)O	5
+c1cc(ccc1)COc2cccc(CC(=O)Nc3ccc(c(c3)Cl)Cl)c2	22
+C1CN(CCC1)CCNc2ccc3c(COC3=C4C(=O)Nc5ccccc45)c2	53
+N(c1cc(NC(=O)C=C)ccc1)c2ncnc(n2)Nc3cccc(Cl)c3	360
+Clc1ccc2CCCN(c3nc(Nc4cccc(c4)NC(=O)C=C)ncn3)c2c1	360
+COc1cc(cc(OC)c1OC)Nc2ncnc(Nc3cccc(NC(=O)C=C)c3)n2	360
+O(n1nnc2c1cccc2)c3nc(c(cn3)C(=O)N)NCc4cnn(C)c4	1906
+C(Nc1nc(Cl)ncc1C(=O)O)c2cnn(C)c2	6
+CN(C)Cc1cc(Cc2c(NCCCCC)nc(N)nc2C)ccc1	171
+C(Nc1nc(N)nc(c1Cc2cc(CCl)ccc2)C)CCCC	109
+Clc1ccc2oc(nc2c1)NCC3N(CCCC3C)C(=O)c4c(ccc(C)c4)-c5cc(ncc5)C	30
+COc1cc(cc(OC)n1)CCc2[nH]nc(c2)Nc3ccnc(n3)NCc4onc(c4)C	349
+N1(CCl)CCC(O)N(c2sc(nn2)CC=C)C1=O	1903
+O=C(CCCCCC#C)O	3471
+C1(N(c2cccc([N+]([O-])=O)c2)C(CC1(CC)C)=O)=O	5795
+C(C)(Oc1c(Cl)cccc1)c2sc(nn2)N	1087
+n1ccc(O)c(c1)NC(c2nccnc2N)=O	1285
+c1cc(N)c(NC(c2nccnc2N)=O)cc1	466
+c1cc(cc2nonc12)CN3C(N(CC3)c4nc(c(s4)C(=O)NCc5cnccc5)C)=O	454
+c1ccc2c(sc(c2C)C(=O)OC)c1	1532
+CC(C)NCC(OC(C(O)C(C(O)C(CO)O)O)=O)c1c(c(C)cs1)C	27
+C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O	10
+C(O)(C)Cn1c2c3c(CCCc3n1)cc(c2)O	3472
+c1cc(ccc1)COc2cc3CCCc4c3c(n(n4)CC(C)O)c2	22
+c12c(c(c(C(CCC=C)=O)cc1ccn2C)C=C)F	155
+n1oc2c(c1CCO)cccc2	21
+O=S(=O)(N1c2c(CC1)cc(cc2)-c3nc(NC(Cc4cc5c(OCO5)cc4)=O)sc3C)c6ccccc6[N+]([O-])=O	373
+C1C2(CC1)CN(c3c2cccc3)C(Cn4c(Cl)c(c5ccc(Cl)c(F)c45)Sc6c(F)c(C(OCC)=O)ccc6)=O	429
+c1nc(ncc1)N2CCN(CC2)C(Cn3c(Br)nc(Br)c3Br)=O	10
+n1c2c(c(O)nc1)cc3OCOc3c2	1116
+COc1c(Br)cc(c(OC)c1C(=O)O)Cl	662
+CC(C)(C)OC(N1CCN(CC1)C(=O)c2c3c(ccc2OC)cc(cc3)-c4cccc(OC)c4)=O	30
+c1(OC)c(c2c(cc1)cc(-c3cc(ccc3)OC)cc2)C(=O)NC	14
+C1C(CN1CCO)Oc2nc3c(cc(cc3)C#CC(C)(O)c4cc(on4)C)n2-c5nc(N)ncc5	5796
+c1c(ccnc1-n2nc(c3c2CCCC3)C(N)=O)C#CC(C)(O)c4cc(on4)C	1243
+c1c(cc(C(CCC)=O)c(F)c1)Br	155
+c1c(cc(F)c(C(CCC)=O)c1)Br	155
+Cc1c2ccc(C#CC(O)(C)c3cocn3)cc2n(-c4ccnc(N)n4)n1	5797
+C1(N(c2ncnc(OCC#CC)c2F)CC(C)CCC1)C	1470
+C(COc1cc(SC)ncn1)#CC	1470
+c1cc(ccc1OC(OCC(NC)=O)=O)[N+]([O-])=O	3473
+C1CN(CCC1COc2c3c(Nc4ccc(c(Cl)c4)O)ncnc3ccc2)C(CO)=O	10
+n1c2ccc(OCC)nc2n(C)c1CO	5798
+c12c(cc(cc1)Nc3c4c(cccc4ncn3)OCC(C)N(C(=O)CO)C)ccn2Cc5ncccc5	731
+c12cc(cc(OCC3CC(CN3C(=O)CO)O)c1c(ncn2)Nc4cc(Cl)c(F)cc4)OC	10
+c1cc(ccc1-c2c(cc3c4nnc(CO)n4ccc3n2)-c5ccccc5)C6OCCO6	5799
+c1cc(ccc1)C(Nc2cncc(c2)Br)CNC(CO)=O	9
+n1c(c2cc(n(Cc3cc(Cl)ccc3)c2nc1SC)CC)OCC(OC)=O	3474
+O(CC(=O)OC)c1ncc(Br)cc1[N+](=O)[O-]	2464
+O(CC(=O)OC)c1ncccc1[N+](=O)[O-]	2464
+c1([N+]([O-])=O)ccc(nc1)OCC(OC)=O	2464
+c1cc(ccc1)-c2c(Cn3c(cc4c3nc(nc4OCC(=O)OC)SC)CC)cccc2	3474
+c1cc(ccc1F)NC(=O)c2ccc(OCC(OC)=O)nc2	5800
+C=C(C)COc1cc(ccc1[N+]([O-])=O)F	5801
+C(O)C(CO)(C(OC)=O)c1cc(-c2nc3cc(C(=N)N)ccc3[nH]2)c(c(-c4cc(CN)ccc4O)c1)O	107
+OCC(CO)(c1cc(-c2c(O)ccc(CN)c2)c(O)c(c1)-c3[nH]c4cc(ccc4n3)C(=N)N)C(=O)O	4
+C(O)C(CO)(C)Nc1nc(nc2nc(OC)sc12)SCc3c(c(F)ccc3)F	5802
+C(O)C(CO)(Nc1c2SC(=O)Nc2nc(SCc3c(c(F)ccc3)F)n1)C	5803
+C(O)C(CO)(C)Nc1nc(nc2c1sc(n2)Cl)SCc3c(c(F)ccc3)F	5804
+C1(=O)COCC(c2cc(Br)cnc2Cl)(CO)N1	467
+O1CC(COC1(C(=O)OCC)C)CCC=C	5805
+c1cc(ccc1C)S(=O)(=O)OCC(CO)CCOc2ccc(cc2)Br	36
+C(O)C(CO)Nc1nc(-c2cc(NC(C)=O)ccc2)c3c(N(C(C=C3)=O)c4ccc(cc4F)F)n1	198
+C(OC1COCC1Oc2c(OC)ccc(C(=O)O)c2)C	5806
+CC(C)=CCCC(=CCCC(=CCCCOCC(CO)O)C)C	1117
+c1(c(cc2c(nccc2)c1)[N+]([O-])=O)OC	5807
+CC(C)CCCC(CCCC(C)=CCCCOCC(CO)O)C	1117
+c1cc(ccc1C(=O)Nc2ccc(cc2)Cl)C3OCC(CO3)SC(C(Cn4cncn4)(c5c(F)cc(F)cc5)O)C	5808
+c12ccccc1-c3c(cccc3)C2COC(=O)NC(CO)(C(O)=O)C	5809
+CN(C)C(CCCC#Cc1cc(C(=O)NC(CO)C)ccc1)=O	10
+C1CCN1C(=O)c2cc(F)c(Oc3cc(cc(c3)OC(C)CO)C(=O)Nc4nn(C)cc4)cc2	46
+c1(cc(Oc2c(cc(cc2)C(=O)OCC)F)cc(OC(C)CO)c1)C(=O)Nc3ccn(C)n3	46
+C1N(CC1)C(c2cnc(Oc3cc(cc(C(OC)=O)c3)OC(CO)C)c(Cl)c2)=O	136
+O=S(=O)(C)OCC(C)(c1c(F)cnc(Br)c1)O	7
+O=S(=O)(C)OCC1C(C2(C(COC(C)=O)CC(CC2)OC(C)=O)C)CCC3(C)C(C(OC(C)=O)CC13)=C	7
+CC(C)(C)[Si](C)(C)OCC1CC(CC1CC)=O	19
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(O2)c(ccc3)Br)C	36
+c1cc(ccc1S(=O)(=O)OCC2Cc3cc(cc(c3O2)F)Br)C	36
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(=O)OCCC)n2)c1	204
+c1(c[n+]([O-])ccc1OCCC)C	857
+c1ccccc1C(N)CC(OCCC)=O	27
+c1cc(ccc1-c2cnc(C)c(C(OCCC)=O)c2)Cl	342
+c1cc(ccc1-c2scc(CSc3nc(c(c(c3C#N)-c4ccccc4)C#N)OCCC)n2)Cl	91
+c1cc(ccc1OC(C(=O)OCCC)C)N(c2nc(Cl)c3cc(ccc3c2)Cl)C	5810
+C(COC(c1cncc(N)c1)=N)C	5811
+CC(C)(C)[Si](C)(C)OCCC(CC(=O)OC)C	19
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCOCC4CCO	85
+O=S(=O)(OCCC1n2cc(I)cc2C(=O)NC1)C	7
+CC(C)(C)C1OCCC(O)C1	5812
+O=S(=O)(C)OC1CC(c2cc(Br)nn2C)OCC1	5813
+c1(CN2N=C(OCCC=C)C=CC2=O)cc(ccc1)C(=O)OC	5814
+c1cc(ccc1C2OCCC(O)C2)Cl	5815
+c1(O)c(Cl)ccc(OCCCBr)c1C(=O)OC	5816
+C1CN(CCC1c2c3c(cc(F)cc3)[nH]n2)CCCO	28
+C1CN(CCN1C)CCCO	28
+C1CN(CCN1CCCO)C(C)=O	28
+CC(C)(C)C(=O)OCN1C=Nc2cc(c(cc2C1=O)OC)OCCCBr	126
+CC(C)(C)OC(=O)N1CC(COCc2ccc(cc2)OC)N(c3ccc(cc3)OCCCO)CC1	8
+CC(C)(C)OC(=O)NC(Cc1cccc(OCCCO)c1)C2OC(=O)N(Cc3cc(ccc3)C(C)C)C2	8
+CC(C)(C)OC(NC(CCSCCCO)C(OC(C)(C)C)=O)=O	965
+CCCCCCCCCCCCSCCCO	965
+Cc1c(-c2sc(c(C#N)c2-c3cccnc3)SC)cc(cc1)Nc4cccc(OCCCO)c4	8
+N(c1c(C)cccc1Cl)CCCO	601
+O=Cc1c(OCCCO)cc(c(-c2cccs2)c1)OC	8
+O=S(=O)(N)c1cc(C(=O)OCCCO)c(NCc2ccco2)cc1Cl	1908
+O=S1(=O)N(c2ccccc2N1CCCBr)c3ccccc3C	1909
+O=S1(=O)N(c2ccccc2N1c3ccc(cc3C)F)CCCBr	1909
+c1(c(Cl)nc(CCCC)[nH]1)C(OCCCBr)=O	1910
+Fc1ccccc1COCCCBr	149
+n1(nc(c(c1Br)[N+](=O)[O-])Br)CCCO	338
+c1(cc(cc(C)c1OCCCO)C=O)C	8
+C(Oc1cccc(c1)CC(OC)=O)CCBr	20
+c1c(nc(cc1)C(=NOCCCO)C)C	1071
+c1ccccc1C(c2ccccc2)CN(Cc3c(Cl)c(C(F)(F)F)ccc3)CCCO	28
+O=S(=O)(C)N(c1cc2oc(-c3ccc(cc3)F)c(c2cc1Br)C(=O)NC)CCCO	1233
+c1cc(ccc1OCCCO)-c2cn3cc(ccc3n2)Br	8
+c1cc(ccc1CC(OC)C(OCC)=O)OCCCBr	20
+c1cc(ccc1Cc2c(NCCCCC)nc(N)nc2C)OCCCO	8
+c1ccccc1C2(CCN(CC2)CCCO)c3ccccc3	28
+c1cc(ccc1)C(CCCO)c2c(C)c(c(c(C)c2OC)C)OC	5817
+C1CC(CCC1N2c3c(c(nc(n3)N)C)C=C(C(OCCCC)=O)C2=O)O	5818
+C1CC1CN2C(=O)c3ccc(cc3C(OCCCC)=C2C(OCC)=O)Br	5819
+C1CCCC(n2cnc3c2nc(nc3N)OCCCC)O1	482
+C(Oc1cc[n+]([O-])c(c1C)C)CCC	857
+N#Cc1cnc2c(cc(OCCCC)c(c2)OCCOC)c1Cl	126
+O(CC1OC1)CCCC	649
+O=Cc1cc(O)c(OCCCC)c(Cl)c1	20
+c1cc(ccc1Cl)-c2oc(-c3cscc3)c(CC(OCCCC)=O)n2	27
+C1CC1c2cc(c(OCCCC(=O)C)nc2Cl)C(=O)N	91
+FC(F)(F)c1ccc(cc1)-c2csc(CCCO)n2	963
+n1cc(cnc1-c2ccc(cc2)C=CCCCO)OCC	858
+c1cc(ccc1Cl)-n2nc3cc(c(cc3c2C(=O)NC)C4CC4)N(S(=O)(=O)C)CCCC=C	1909
+C(O)CCCCCc1cc2c(cccc2)nc1	3475
+CCCCCCCNCCCCCO	15
+C(O)CCCCCSc1nc2ccccc2[nH]1	2465
+c1cc(ccc1N(CC)CCCCCCO)Br	936
+C(CCCC)CCOC1CCC(=O)N1	1515
+C1CCC(C1)C2N(c3ccc(C#N)c(Cl)c3)N=C4C2CCc5cc(C(OCCCCCCC)=O)ccc45	47
+FC(F)(F)c1cc(C(=O)O)ccc1OCCCCCCC	57
+Fc1cccc(F)c1C(Nc2ccn(Cc3ccc(cc3Cl)OCCCCCCCO)n2)=O	8
+c1ccccc1OCCCCCCCO	8
+C1CC(CCN1C(CCc2nccn2CC(=O)OCCCCCCCC)=O)N(C)C	456
+C(CCOc1ccsc1)CCCCC	5820
+O1CCOC12C(C(C#N)CC2)CCCCCCCO	381
+c1c(COCCCCCCCCO)cc(F)c(c1)F	149
+c1c(c(C#N)c(cc1)[N+](=O)[O-])OCCCCCCCCO	1118
+C(O)CCCCCN=[N+]=[N-]	558
+C(O)CCCCCOc1ccc2cc(ccc2c1)C(=O)O	72
+c1ccccc1N(C)CCCCCCO	5821
+c1cc(ccc1C=O)OCCCCCCO	5822
+[N-]=[N+]=NCCCCCC=O	24
+c1cc(ccc1C)S(=O)(=O)OCCCCCCN=[N+]=[N-]	36
+c1cc(ccc1C(OCCCCCCOC(=O)C(C)=C)=O)OC(=O)C=Cc2ccc(cc2)OC	47
+C(OC(C=C)=O)CCCCCOc1cc2c(cc(cc2)C(O)=O)cc1	2466
+c1cnccc1OCCCCCCSc2[nH]c3c(cccc3)n2	2467
+C(CCCCl)CCc1cc2c(cccc2)nc1	221
+c1cc(ccc1Cl)-c2c(OCCCCCO)ncc(c2)C(=O)NC3CCCCC3O	89
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCCO	53
+c1(c(cc(OC)c(COCCCCl)c1)F)F	555
+c1c(c(Nc2cc([N+]([O-])=O)c(cc2)C(=O)c3c(C)ccc(OCCCO)c3)ccc1F)F	72
+c1cc(ccc1)C=2c3ccccc3C(N(CCCO)C=2)=O	5823
+c1cc(ccc1OCCCO)C(c2c[nH]c3c2cccc3)=O	72
+c1cc(ccc1O)SCCCO	1107
+c1cc(ccc1SCCCO)NC(=O)C	1107
+c1cc(ccc1-c2c(C)c(C(=O)OCC)nn2-c3ccc(Cl)cc3Cl)OCCCF	20
+c1cc(ccc1[N+]([O-])=O)OCCCI	20
+CC(C)(C)c1ccc(cc1)NC(=O)NCCCO	282
+Cc1nc(Cl)c(c(NCCCO)c1C)[N+]([O-])=O	105
+Clc1c(Cl)cc(c([N+](=O)[O-])c1)NCCCO	205
+c1(C)c(NCCCO)nc(Cl)nc1	40
+FC(F)(F)CCS(=O)(=O)CCCNCCCO	284
+FC(F)(F)c1cccc(Nc2nc(NCCCO)nc3n(CC)cnc23)c1	96
+FC(F)(F)c1ccc(cc1)C(NCCCO)=O	93
+OCCCNCCC#N	1287
+O=S(=O)(NC(C)CNCCCO)c1ccccc1[N+]([O-])=O	285
+N(CCCO)c1c([N+]([O-])=O)cccc1Cl	205
+c1c([n+](ccc1)[O-])NCCCO	1911
+c1ccccc1-n2c3ncnc(NCCCO)c3nc2-c4ccccc4	516
+c1cc(ccc1)CC(C)(N(C)C)C(c2ccc(cc2)NCCCO)=O	60
+c1cc(ccc1)COc2c(OC)cc(cc2)Cc3nc4c(ccc(NCCCO)c4)c5nc(nn35)N	5824
+c1cc(ccc1C#N)NCCCO	60
+c1cc(ccc1COC(NCCCO)=O)[N+]([O-])=O	101
+O=S(=O)(Nc1ccc(NCCCO)c([N+]([O-])=O)c1)c2ccc(cc2)NC(C)=O	60
+c1ccccc1COc2ccc(cc2)-c3n(CCCO)c(C)cc3	3476
+C(O)CCNc1nccc(Cl)n1	96
+c1cc(ccc1C)S(=O)(=O)OCCCN=[N+]=[N-]	36
+CC(C)(C)OC(=O)N(CC)CCCO	23
+n1c(nc(cc1)Oc2ccc([N+]([O-])=O)cc2F)NCCCO	185
+c1cc(ccc1Oc2ccnc(NCCCO)n2)[N+]([O-])=O	185
+CC(C)OCOCCCO	433
+C[Si](C)(C)CCOCn1c(cc2c1cc(c(-c3ccc(cc3)-c4ccccc4)n2)Cl)OCCCO	5825
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)OCCCO	5826
+C1OC(CCC1)OCCCO	219
+O=S(=O)(c1cccc2cnccc12)Oc3cc(C)cc(OCCCO)c3	126
+O=S(=O)(c1c(OC)cccc1)Oc2cc(C)cc(OCCCO)c2	126
+O=S(=O)(c1cc(Cl)ccc1OC)Oc2cc(cc(C)c2)OCCCO	126
+O=S(=O)(Nc1cc(O)c(cc1)C(OCCCO)=O)c2cc(c(Cl)s2)-c3cccc(OC)c3F	1533
+C1OC2(OCC1)C(Nc3c2cc(cc3)S(=O)(=O)N4CCCC4COC)=O	5827
+O=S(=O)(Oc1cc(C)cc(c1)OCCCO)c2cccc3nsnc23	126
+O=S(=O)(c1c([N+]([O-])=O)cccc1)Oc2cc(C)cc(c2)OCCCO	126
+C1OC(OCC1)c2ccc3c(c(Cl)n[nH]3)c2	5828
+c1c2c(c(ncn2)O)ccc1OCCCO	724
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCO	604
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4cc(ccc4Cl)OCCCSCCCO	1105
+c1cc2c(c(SCCCO)c(C#N)cn2)cc1I	1275
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCCO	5829
+CC(C)(C)[Si](C)(C)OCCCc1ncsc1	19
+C(CF)Oc1ccc(cc1Cl)F	20
+n1cc(cnc1OCCF)C#Cc2ccc(cc2)C(C)C(=O)NCC	482
+c1ccccc1COC(N(CCO)C2CCC(CC2)N(C)C)=O	5830
+c1cc(ccc1)N(C(C)C)CCO	2457
+c1c(cc(C)cc1)C#Cc2nc(C)n(C3=CC(=O)N(CCO)C=C3)c2	3477
+c1cc(ccc1OCCN(c2sccn2)C)C=O	57
+FC(F)Oc1c(Cl)c(-c2c(Cl)cc(Cl)c(C(=O)OCCN3C(=O)CCC3)c2)nn1C	279
+N1(CCCC1=O)CCOc2cnc3c(n2)ccnc3Cl	1534
+C(CO)N(C)CCOC	28
+C1(CCc2c(ccc([N+]([O-])=O)c2)N1CCCN(CCO)C)=O	53
+C1COCCC1Nc2c3c(n(nc3)CC)nc(c2CNC(=O)c4ccc(cc4)CCCCCCCCN(CCO)C)CC	28
+CC(C)(C)OC(=O)N1CCC(c2cc(nc(N(CCO)C)c2)Cl)=CC1	43
+CC(C)(C)[Si](C)(C)OCCNC	19
+CC(C)(C)c1ccc(cc1)C=2N(C)N(c3ccc(cc3)C#N)C(=O)C=2C(=O)N(C)CCO	3478
+CC(C)(C)c1nnc(NC(=O)N(C)CCO)s1	1110
+C1CC1C(=O)c2cnc3c(c2NC4CCC(CC4)CN(C)CCO)cc(cc3)Br	123
+C(O)CN(C)c1n(C)ncc1[N+](=O)[O-]	959
+c1c(cc(c(c1)N(C)CCO)[N+]([O-])=O)Br	34
+c1cc(ccc1)CN(Cc2ccccc2)c3ccc(CN(CCO)C)nc3	315
+c1cc(ccc1NC(c2cc(Br)c(nc2)N(C)CCO)=O)OC(F)(F)Cl	43
+c1ccc2nc(N(C)CCO)sc2c1	1912
+c1cc(ccc1)C(=O)N(CCO)C	3479
+c1ccccc1C(c2ccccc2)(CN)CN(C)CCO	5831
+c1ccccc1C2Oc3c(CC2)c(cc4nc(C)n(CCOC)c34)C(N(C)CCO)=O	30
+c1ccccc1COc2cc(cc3nc(n(CCOC)c23)C)C(N(CCO)C)=O	30
+c1ccccc1N2N(C(=C(C(Nc3ncc(Oc4ccnc(NC(=O)N(C)CCO)c4)cc3)=O)C2=O)C)C	437
+c1nc(ncc1)N(C)CCO	117
+C(COC(=O)OCCl)NC(C)=O	405
+c1ccccc1COC(=O)NC(Cc2c[nH]cn2)C(=O)N3C(CCC3)C(NCCO)=O	5832
+CC(C)CC1N(C(C)(C)OC1)C(=O)c2cnc(OCCNC(CC)=O)c(-c3ccc(cc3)Cl)c2	91
+c1cc(ccc1)-c2csc3nc(nc(NCc4ncccc4)c23)N5CCCC(C(NCCO)=O)C5	117
+C1CN(CCC1NC(=O)c2cnc(-c3cc(F)ccc3)cc2)c4ccc(C(=O)N(CCO)CC)cn4	211
+CC(C)(N(CC)CCO)C#C	5833
+FC(F)(F)c1ccc(cc1)S(=O)(=O)NC2CCC(CC2)CCCCCN(CC)CCO	28
+c1cc(ccc1[N+]([O-])=O)OCCNCC	57
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4ccc(cc34)-c5ccc(cc5CN(CC)CCO)F)N	48
+CC(C)(C)c1cc(n(CCO)n1)N	5834
+C(O)Cn1ncc(C#N)c1N	5835
+O=S(=O)(c1ccc(cc1)Cl)N2C3Cc4c(cnn4CCO)C2CCC3	5836
+CC(C)(C)C#Cc1cc(Cl)ncc1NCCO	1243
+C(COCCNc1n[n+]([O-])c2ccccc2n1)N=[N+]=[N-]	600
+CC(C)(C)OC(=O)N1CCc2cc(SCCO)ccc12	607
+Cc1nc(SCCO)ccc1[N+]([O-])=O	3482
+c1(OC)cc(cc([N+]([O-])=O)c1)SCCO	607
+c1c(OC)ccc2ncc(SCCO)nc12	3483
+c1ccccc1-c2c(SCCO)c3c(ccc(c3)F)nc2CC	1275
+C1CN(C2=CC(OCCc3cc(c(Oc4cc(F)c(Cl)cc4)cc3)F)=NC(N2C1)=O)C	2468
+c1(c(ccs1)CCO)Br	407
+c12ccn(CCOC(=O)C)c1cccc2	152
+O=S(=O)(C)OCCn1c2ccccc2cc1	7
+Nc1c(C#N)cnn1CCCl	1883
+Clc1[nH]c(-c2cccnc2)nc1CO	844
+C1OC(CCC1)OCc2c(Br)cccc2Cl	219
+C1OC(CCC1)OCc2c(Cl)cc(c([N+]([O-])=O)c2)C	219
+O=Cc1cc(ccc1Cl)CCNC(C)=O	39
+CC(C)(C)OC(=O)N1CC(N(C(OCc2c(c(ccc2F)Br)F)=O)CC1)CC	2469
+ClCc1c(F)ccc(I)c1C	109
+C1CN(CCN1c2ccc(cc2CO)[N+]([O-])=O)C	34
+Cc1c(C(=O)OCC)c2n(c(cc(C)c2)OCc3c(F)cccc3Cl)n1	3484
+Clc1cnc(c(c1CCl)Cl)N	5837
+c1(CO)c(sc(c1C)C)Br	407
+O=Cc1c(ccc(C)c1C)[N+]([O-])=O	39
+C(OCc1c(ccc(CBr)c1)Br)OC	433
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1[N+]([O-])=O)OC	19
+c1ccccc1COc2c(cc(cc2)[N+](=O)[O-])CO	22
+CC(C)(C)[Si](C)(C)OCc1c(OC)cccc1Br	19
+CC(C)(C)[Si](C)(C)OCc1c(nnc(C(=O)OC)c1)OC	19
+CC1(C)C(C(OCc2c3c(ccc2)-c4c(cccc4)CCC3)=O)C1C=C(F)F	204
+CC(C)(C)OC(=O)n1c(cc2c(cccc12)OCc3c4c(oc3)cc(F)cc4)C(OCC)=O	5838
+c12ccccc1nccc2CCl	109
+c1(F)cc([N+]([O-])=O)cc(CO)c1NC	60
+FC(F)(F)c1cc(OCc2cc(ccc2O)F)c(cc1)C(Nc3ccnc(c3)O)=O	57
+COc1c(cc2c(c1)ncnc2Nc3cccc(Cl)c3F)CCl	109
+c1c2c(ccc1F)cc(CCl)c(Cl)n2	5839
+O=Cc1c2nc(oc2c(cc1)Br)C	200
+CC(C)(C)OC(=O)N(C)Cc1ccc(c(c1)F)CO	23
+O=Cc1ccc(N)cc1Cl	39
+CC(C)(C)OC(=O)NCC(=O)Nc1ccc(c(Cl)c1)CO	33
+c1cc(ccc1)OC(=O)Nc2cc(F)c(cc2)CO	90
+c1ccccc1COc2cc(Cl)c(CO)cc2	22
+C(O)c1ccc(N)cc1F	0
+O=Cc1c2c(nn(C)c2)c(F)cc1	39
+O=S(=O)(OCc1ccc(C(OC)=O)cc1C)C	7
+c1cc(CCl)c(C)cc1F	109
+c1ccccc1COc2cc(c(cc2)CO)C	22
+C(O)c1ccc(CNC)cc1F	370
+NC1=C(NCCCOc2cc(CCl)ccc2)C(=O)C1=O	109
+c1(ccccc1Cl)Cn2cc(-c3nccc(c3)C=O)nc2	39
+COc1cc2c(ccnc2cc1)CCl	438
+OB(O)c1ccc(cc1C2CCCC2)OCc3ccccc3	1913
+C(C)OB(OCC)c1c(OC)cc2CCCc2c1	5840
+OB(O)c1cc2c(CCC2)cc1OC	1913
+c1ccccc1COc2c(cc(B(O)O)c(OC)c2)CC	1913
+CC(C)c1c(B(O)O)ccc(c1)OCc2ccccc2	1913
+C1CN(CCC1)C(=NC#N)CC#N	5841
+C(OCC)(Cc1cc(C)c(-c2cc(ncc2)C)nc1)=O	5842
+CC(C)(C)c1ccc2c(c(C(=O)OCC)cnc2c1)O	975
+CC(C)COc1ccccc1-c2ncc(c(O)n2)C(OCC)=O	5843
+O=C(OCC)C(C(=O)OCC)=CN1C(C)(C)Cc2c1cccc2	5844
+O=C(OCC)C(C(=O)OCC)=CNc1ccnn1CC	2470
+CCOC(=O)C=1C(N(NC=1)c2ccccc2OC)=O	5845
+C1(N2C=C(c3ccc([N+]([O-])=O)cc3C2=NC=C1C(=O)OCC)C)=O	5846
+C(C)OC(=O)C(C(OCC)=O)=CNc1c(C)cc(cc1)OC	1535
+C(C)OC(=O)C(C(OCC)=O)=CNc1cccc(Br)c1	1535
+C(C)OC(c1c(O)c2ccc(cc2nc1)F)=O	975
+c12c(c(cnc1cc(c(OC)c2)F)C(=O)OCC)O	975
+O=C(OCC)C(C(=O)OCC)=CNc1cc(C)nn1-c2ncccc2	2470
+C(C)OC(=O)C(C(=O)OCC)=CNc1ncnc2c1cccc2	2470
+C(OCC)(=O)C(C(OCC)=O)=CNc1ccccc1I	1535
+c1c(c(c(Cl)cc1)Cl)Cc2ccc3c(c2)c(c(cn3)C(=O)OCC)O	975
+c12cc(ccc1ncc(c2O)C(=O)OCC)C(=O)c3c(c(OC)c4ccccn34)C	975
+c1cc2c(c(c(cn2)C(=O)OCC)O)cc1I	975
+C1COCCN1c2ccc(cc2)NC=C(C(OCC)=O)C(OCC)=O	1535
+C(C)OC(=O)C(C(OCC)=O)=CNc1ccc(cc1)OC	1535
+c12cc(OC)ccc1ncc(c2O)C(=O)OCC	975
+c1ccccc1-c2nc(O)c(C(OCC)=O)cn2	5847
+C(OCC)(=O)C(C(OCC)=O)=CNc1cnc(NCc2ccccc2)cc1	5848
+c1ccccc1Oc2cc3c(c(C(OCC)=O)cnc3cc2)O	975
+c1c(CN2C(C(=C(c3cccn23)O)C(OCC)=O)=O)cc4c(cccc4)c1	3485
+C1(C(C(OCC)=O)=C(O)c2cccn2N1Cc3c(F)cccc3)=O	3485
+C(C(OC(=O)C(C)=C)C)C1OC1	553
+c1(c(cc2n(C3C(O)C(C(C3)COC(=O)C)O)c(nc2c1)Br)Cl)Cl	59
+c1ccccc1COC(=O)Nc2ccc3CC(C(OCC)=O)C(Nc3c2)=O	90
+C(C)(=O)NC1CC(C(=O)O)C(CC)C1	3
+C(C)OP(OCC)(=O)CCCN(C(=O)CC(=O)OCC)c1cc(Cc2ccc(cc2)F)cnc1C(=O)OCC	5849
+c1cc(ccc1Cc2cc(NC(CC(OCC)=O)=O)c(nc2)C(=O)OCC)F	5850
+c1cc(ccc1C(=O)c2ccc(cc2)NC(=O)CC(OCC)=O)Cl	3486
+C(OC(=O)CC1OB(c2c1c(Cl)cc(OC)c2)O)C	65
+C(COCCCl)C(=O)O	3
+C(OC(=O)CCOCCCl)C	221
+CC(C)(C)OC(N(CCCc1nc(ccc1)Br)CC(=O)OCC)=O	663
+c1(cccc2N(CCCc12)C(=O)CCCOc3cc(c(Cl)cc3Cl)Cl)-c4cnn(c4)CC(OCC)=O	20
+CC(C)c1c(O)nnc(Sc2c(Cl)cc(cc2Cl)NN=C(C#N)C(=O)NC(OCC)=O)c1	3487
+C(C(=NNc1c2c(OC(C2)C)c(Cl)cc1)C(=O)NC(OCC)=O)#N	3487
+C(OC(Nc1nc2n(n1)c(Br)cc(C)c2)=O)C	977
+C(OC(Nc1nc2n(cc(Oc3cc(C)cc(NC(c4cc(nn4C)C)=O)c3)cc2)n1)=O)C	977
+C1CCN2C(C(=C(c3ccncn3)N=C2C(N)C1)Br)=O	3488
+C(OC(=O)NC1C2=NC(c3ccncn3)=C(C(N2CCCC1)=O)Br)C	3489
+c1-2c(c(ccc1NC(n3ncnc-23)=O)Br)F	5851
+c1c2c(ccc1O)c(NC(OCC)=O)cs2	5
+C(OC(=O)Nc1ccc2C(C)=NCCc2c1)C	1120
+O=S(=O)(C)OCCc1cc(ccc1)NC(OCC)=O	7
+c1cc(ccc1C=2C=CC(N(Cc3cc(NC(OCC)=O)ccc3)N=2)=O)C#N	5852
+C1N(CCC1COC(=O)Nc2ccccc2Br)C	113
+C(OC(=O)OCCC(O)C)C	100
+c1cc(ccc1)C(OC(C)CCOC(OCC)=O)=O	279
+C(C)OC(c1c2c(c(ncn2)O)[nH]c1C)=O	5853
+c1cc(ccc1-c2noc(COC(=O)C)n2)CN(C3C(NCCCC3)=O)S(=O)(=O)c4ccc(cc4)Cl	1289
+C(OC(C)=O)C(N1C(c2ccc(C)c(N)c2C=C1)=O)C	0
+C1CCCC(CC1)(O)CC(Nc2c(C)ccc3c2C=CN(C(C)COC(C)=O)C3=O)=O	33
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c3c(C(N(C(C)COC(C)=O)C=C3)=O)ccc2C	33
+FC(F)Oc1c(cc(F)c(c1)N2NC3=C(CCCC3)C2=O)Cl	5854
+n1c(nc2c(CCCC2)c1O)C	3490
+c1(nc(c2c(CCCC2)n1)O)N	3491
+c1cc(ccc1)C2=CCN(CCCc3nc4CCCCc4c(O)n3)CC2	3492
+s1c(C2C(C(=O)O)C2)ccc1CCCC	3
+CC(C)(C)OC(N1C2C(CC(C1C(OCC)=O)C2)O)=O	663
+C(N(OC)C)(=O)C1CC1C#N	978
+c1ccccc1C(c2ccccc2)N3CCN(CC3)C(C4CC4C(OCC)=O)=O	10
+c12nn(C)cc1c(ccc2)C3C(CO)C3	44
+C(C1CCC(=CC1)CCCCC)(=O)O	3
+c1ccccc1COC(=O)N2C(C(=O)N)CC(C(OCC)=O)CC2	1827
+C(C1Cc2c3cc(OC)ccc3[nH]c2C1)(=O)NCCC	271
+COc1cc2c3c([nH]c2cc1)CC(C(=O)NC)C3	271
+CC(C)(C)OC(=O)NC(C(=O)N1C(CC)CCC1C(=O)OCC)CC(C)C	478
+C1(CCC(c2cc(F)cnc2)N1)CO	44
+CC(C)(C)OC(=O)N1CC(C(=O)OCC)NCC1	23
+COc1cccc2n(CCF)c3c(C(C(=O)O)CCC3)c12	3
+C1CC(CCC1)Oc2c3c(nc(C)c(C(=O)OCC)c3N)ccc2	979
+C1CC(CCC1Oc2cccc3nc(C)c(C(=O)OCC)c(N)c23)CNC(COC)=O	979
+C1CC(CCN1C(=O)CC)COc2cccc3nc(C)c(C(=O)OCC)c(c23)N	979
+C1CC(CCN1C(C(C)C)=O)Oc2cccc3c2c(N)c(C(=O)OCC)c(C)n3	979
+O=C1CC(C)=NN1c2ccc3CCCc3c2	5855
+CC(C)(COc1cccc2nc(C)c(c(N)c12)C(OCC)=O)C(NCc3cccc(OC)c3)=O	979
+CC(C)(C)CCc1c2c(c(C(=O)OCC)c(nc2ccc1)C)N	979
+CC(C)(C)OC(=O)N1CCCN(c2nc3c(C=C(C(C)=O)C(=O)O3)cc2)CC1	5856
+CC(C)c1c(C(=O)OCC)c([nH]c1)C	5857
+CC(C)C(=O)NC1C(CCCC1)Oc2cccc3c2c(c(C(=O)OCC)c(C)n3)N	979
+Cc1nc2c(c(N)c1C(=O)OCC)c(cs2)-c3cc(ccc3)OC	3494
+Cc1cc(cc(C)c1-c2c(C)nn3c2N=C(C)CC3=O)Cl	1085
+Clc1ccc(c(Cl)c1)C2NC(c3ncccc3F)=NC(C)=C2C(=O)OCC	5858
+Clc1cccc(CCC(=O)CC(OCC)=O)c1	5859
+Clc1cccc(-c2noc(C)c2C(=O)OCC)c1	3495
+FC(F)(F)COc1nn2c(c1)N=C(CC2=O)C	1085
+FC(F)(F)c1cc2c(cc1OC)c(c([nH]2)C(=O)OCC)C	5860
+FC(F)(F)c1cccc(NC(=O)CC(=O)C)c1	3496
+FC(F)(F)c1cccc(c1)NC(=CC(=O)OCC)C	3497
+FC(F)(F)c1cc(N2C(=O)NC(c3ccc(cc3)C#N)C(C(OCC)=O)=C2C)ccc1	3498
+N#Cc1ccnc(c1)N2N=C(CC2=O)C	2472
+c1(cc(O)nc(C)n1)C	3305
+C(C)OC(C1=C(C)N=C(NC1c2ccc(cc2Cl)F)c3nccnc3)=O	5861
+c1(c2c(ccc(c2nc(c1)C)F)F)O	2473
+n12c(cc(C)n1)NC(C)=CC2=O	5862
+C1=CSC2=NC(C)=CC(N12)=O	5863
+C1=C(N=C2N(N=C(S2)SCCCCCC)C1=O)C	5864
+c1(ccc(cc1Br)F)C2NC(c3sc(OC)cn3)=NC(C)=C2C(=O)OCC	5865
+O=S(=O)(Nc1c(ccc(C)c1Cl)Cl)c2nc3n(C(=O)CC(C)=N3)n2	3499
+Cc1nc2scc(C)c2c(N)c1C(=O)OCC	3494
+c1(C)[nH]c2ccccc2c1C(=O)OCC	5866
+c1ccccc1C=2c3ccccc3C(=O)N(C=2C=CC(CC(=O)CC(=O)OCC)O)C	1536
+c1cc(ccc1)NC(=O)CC(=O)C	3496
+c1cc(ccc1Cl)-c2c3n(C(=O)CC(=N3)C)nc2-c4c(cccc4)Cl	1085
+c1(nc2ccc(cc2c(c1)O)Br)C	2473
+c1cc(ccc1C(c2ccc(cc2)F)=C(C=CC(O)CC(=O)CC(OCC)=O)c3n(nnn3)C)F	1536
+c1cc(ccc1Cl)C(=O)CC(C(=O)OCC)C(C)=O	3500
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(n3nnnc3)C=CC(CC(=O)CC(OCC)=O)O	1536
+c1cc2nc(C)cc(c2cc1I)O	2473
+c1cc(ccc1CC(C(OCC)=O)C(=O)C)[N+]([O-])=O	1251
+c1cc(ccn1)C(NC2CCC(CC2)COc3cccc4nc(C)c(C(=O)OCC)c(c34)N)=O	979
+c1(C)c(cccc1)NC=C(C(OCC)=O)C(CCC)=O	5867
+C1(=C(CCC)Nc2c(C1c3cccc(C)c3Cl)c[nH]n2)C(=O)OCC	3501
+C1(=C(CCC)Nc2c(C1c3cccc(c3Cl)C#N)c[nH]n2)C(=O)OCC	3501
+C1C(CC1CC#N)C(CC(OCC)=O)=O	3502
+C1COCCC1Nc2c3c(nc(CC)c2CNC(CC(=O)OCC)=O)n(CC)nc3	5868
+C1CC1C(CC(OCC)=O)=O	1914
+C1CCCC1C(CC(OCC)=O)=O	3502
+CC(C)(C)OC(N1CCC(CC1)C(=O)CC(OCC)=O)=O	1914
+CC(C)(C)OC(=O)NC(C(CC(OCC)=O)=O)C	1914
+CC(C)(CCC)CC(CC(OCC)=O)=O	1914
+CC1(C)NC=2N(C(=O)CC(=O)N=2)CC1	5869
+FC(F)(F)COc1cc(C(=O)CC(OCC)=O)ccc1Cl	980
+c1(F)cccc(F)c1C(=O)CC(OCC)=O	980
+C(C(c1cc(F)c(cc1F)C=2CCN(C(C)=O)CC=2)=O)C(OCC)=O	980
+C(OC(CC(c1c(c(c(c(c1)C)F)[N+]([O-])=O)Cl)=O)=O)C	980
+C(OC(CC(c1ccc(Br)c(C)c1F)=O)=O)C	980
+c1c(F)c(cc(C(=O)CC(OCC)=O)c1)OCC	980
+c1c(cc(c(c1)C(CC(OCC)=O)=O)C)Br	5870
+c1ccccc1-c2ccc(cc2)NC(=O)CC(=O)OCC	3503
+c1cc(ccc1NC(=O)C)C(=O)CC(OCC)=O	980
+FC(F)(F)c1ccc(cc1)-c2nc(c(C)s2)CC(OCC)=O	5871
+C(C(C)(CCO)O)CCCCC	44
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(N4C=CC(=O)NC4=O)CC(=O)OCC	604
+N(C(CCC)CC(OCC)=O)c1cc(C)ccc1[N+]([O-])=O	60
+c1c(OC)ccc2c(c(C(CC(=O)O)CCCC)sc12)C	3
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(=O)CC(c3cc(-n4cnnn4)ccc3)=O)=O	3504
+c1(C(NC(C)=O)CC(OCC)=O)cccc(F)c1	68
+c1ccccc1C(CC)C(NC(CC(OCC)=O)c2cc(ccc2)[N+](=O)[O-])=O	68
+c1cc(ccc1)C(NC(c2cc([N+]([O-])=O)ccc2)CC(=O)OCC)=O	93
+c1ccc2c(sc(n2)N3NC(c4cccc(I)c4)=CC3=O)c1	1916
+C1CC(CCC1c2c3c(ncc2)ccc(F)c3)CC(=O)OCC	191
+C1C(CC(=O)O)CC(C)CC1	3
+CCOC(OCC)COc1cc2c(C(CC(=O)OCC)CC2)cc1	8
+C(OC(CC1c2c(cc(cc2)OCCc3nc(Cl)ccc3)CC1)=O)C	126
+FC(F)(F)c1c(nc(NCCCOc2ccc3c(CCC3CC(OCC)=O)c2)cc1)Cl	126
+C(OC(CC1c2c(cc(cc2)OCCCNc3nc(Cl)ncc3C)CC1)=O)C	20
+c1cc(ccc1)-c2oc(c(C)n2)CCOc3ccc4c(CCC4CC(OCC)=O)c3	20
+C(OC(CC1c2c(CC1)cc(cc2)O)=O)C	5
+CCOC(CC1CCc2cc(OCCCOc3ccc(-c4nc(co4)CC)cc3OC)ccc12)=O	8
+CCOC(CC1CCc2cc(OCCCOc3ccc(cc3OC)C#N)ccc12)=O	8
+C(OC(CC1c2c(cc(cc2)OCCCN(CCC)c3c(C)cnc(Cl)n3)CC1)=O)C	3505
+c1cc(c(C)nc1C)OCCOc2cc3CCC(CC(=O)OCC)c3cc2	981
+C1COC(O1)(CCC(OCC)=O)C	381
+CC(C)(CC)NN=C(CCC(OCCCC)=O)C	3506
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cc(-c3c(cccc3NC(CCC(OCC)=O)=O)C)ccc2)c(SC)s1	26
+C(C(c1c(ccc(C)c1)OC)=O)CC(OCC)=O	94
+C(CC(=O)O)C(c1cccc2OCOc12)CCCCC	3
+O(CC)C(=O)C(C=O)CC1=CC(=O)N(CCCC)C=C1	5872
+CC(C)(C)[Si](C)(C)OC(C=CC1CCC2C1CC(C(O)(C)CCCC(=O)OCC)C2=O)C3CCCCC3	5873
+C(C(OCC)=O)(CCC)C(=O)C(=O)OCC	5874
+O(C(CCCCN(C1c2ccc(nc2CCC1)C#N)CCc3ccccc3OC)=O)CC	28
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(OCC)=O	28
+CC(C)(C)OC(NCc1ccc(F)cc1OCCCCC(OCC)=O)=O	8
+c1cc(ccc1OCCCCC(=O)OCC)-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2	8
+CC(C)c1n(CCCCC(OCC)=O)c2ccccc2n1	656
+O(C(CCCCOc1c(c(OC)c(cc1)OC)C=O)=O)CC	8
+c1c(Cl)c(c(cc1)Cl)S(=O)(=O)N(C)CCCCC(OCC)=O	831
+O(C(CCCCN1c2ccccc2CCC1)=O)CC	936
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCC(=O)OCC	5875
+c1cc(ccc1C)-c2nc3c(nc2-c4ccc(cc4)C)CCCN3CCCCCC(OCC)=O	1821
+CC1(C)c2cc(ccc2N=C1C)OCCCCCC(=O)OCC	8
+c1ccccc1C(c2ccccc2)NCCCCCC(=O)OCC	132
+c1cc(ccc1-c2nc3N(CCCCCCC(=O)OCC)CCCc3nc2-c4ccc(cc4)C)C	1821
+O=S(=O)(OCCCCCC(=O)OCC)C	7
+O(C(=O)CCCN(Cc1ccc2ccoc2c1)C(C3(C)CCN3C(=O)Cc4c5c(cccc5)sc4)=O)CC	10
+c1cc(cc(C#N)c1OCC2CO2)CCCC(OCC)=O	3507
+C(OC(CCCc1ccc(O)c(C#N)c1)=O)C	180
+c1nnnn1CCCC(=O)O	3
+N(C)C(CCc1c(Br)cccc1Cl)=O	271
+CC(C)(C)Cc1nc(COc2cc(cc(c2)OC)CCC(=O)OCC)ccc1-c3cc(ccc3F)OC	412
+C(OC(CCc1cc(c(Nc2ccc([N+]([O-])=O)cn2)cc1)OC)=O)C	201
+c1(c(cc(CCC(OCC)=O)cc1)OC)N(C)c2ncc([N+]([O-])=O)cc2	1121
+FC(F)(F)S(=O)(=O)Oc1cc(cc(c1F)F)CCC(OCC)=O	166
+c1c(cccc1CCCO)O	44
+C(OC(CCc1cc2c([nH]1)c(cc(C#N)c2)F)=O)C	180
+c1ccccc1Oc2ccc(cc2)COc3ccc(cc3F)CCC(=O)OCC	657
+FC(F)(F)c1cnc(Oc2cc(OCCOC)ccc2CCC(=O)OCC)c(Cl)c1	136
+c1cc(ccc1C(O)CCC)COc2ccc(c(F)c2)CCC(=O)OCC	657
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(CCC(=O)OCC)ccc(c2)OCOC	136
+O(CC)C(=O)C(Cc1ccc(nc1)OC)C=O	2474
+C(OC(CCc1ccc(Br)n1-c2ccc(C#N)cc2C)=O)C	653
+c1c2c3CN(C)CCc3n(CCC(=O)O)c2ccc1C	3
+c1cc(CCN(C)CC(=O)O)c(cc1F)[N+]([O-])=O	3
+CN(CC(=O)O)c1n[nH]c2ccc([N+]([O-])=O)cc12	3
+FC(F)(F)c1cnc(-n2nc(c(c2)CCCOc3c(cnn3CC(OCC)=O)CC)C(C)C)cc1	5876
+N(C)C(CN1C(=O)C=C(C=C1)n2cc(nc2C)C#Cc3cccc(C)c3)=O	271
+c1ccccc1CC(N=C2NC=CN(CC(OCC)=O)C2=O)CN=[N+]=[N-]	5877
+C1CC(C)N(CCO)CC1	44
+C1CC(CCC1)N2C(N(C3CCCC3)C(C(C(NCC(=O)OCC)=O)C2=O)=O)=O	1537
+CC(C)(C)N1C(=O)C(C(=O)N(Cc2c(cccc2)Br)C1=O)C(NCC(=O)OCC)=O	1537
+CC(C)(C)c1c(cccc1)N2CCN(CC2)C(NCC(OCC)=O)=O	3508
+CC(C)CN1C(=O)C(C(=O)N(CC(C)C)C1=O)C(NCC(=O)OCC)=O	1537
+CC(C)N1C(=O)C(C(=O)N(C(C)C)C1=O)C(NCC(=O)OCC)=O	1537
+N1C(=O)CNc2c1cccc2F	1290
+COc1c(cc(I)c(Cl)c1)NCC(=O)O	3
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(NCC(OCC)=O)c2[N+](=O)[O-])=O	54
+C(O)c1cc(Cl)c(OCC(=O)O)cc1OC	3
+c1ccccc1-n2ccc(CN3CCN(c4c(OCC(=O)OCC)c(cc5cccnc45)C)CCC3)n2	315
+C1c2c(CN1CC(CNC(COc3c4c(ccc3)OCCN4C)=O)O)cccc2	271
+c1cc(OCC(=O)O)cc2N(CCc12)c3c4CSCc4nc(Cl)n3	3
+C(OC(COc1cc2N(CCc2cc1)c3c4CSCc4nc(Cl)n3)=O)C	860
+c1ccc(I)cc1OCC(=O)O	3
+c1c(cc(C(Nc2cccc(OCC(OCC)=O)c2)=O)c(F)c1)Br	67
+c1ccc(NC(C)=O)cc1OCC(=O)O	3
+c1cc(ccc1)C(c2ccccc2)C=3C=CC(=O)N(CCCc4cc(ccc4)OCC(OCC)=O)C=3	5878
+O=S(=O)(C)OCCCc1cccc(OCC(OCC)=O)c1	7
+C(OC(COc1c2N(CCOc2ccc1)C)=O)C	15
+O=S(=O)(Nc1ccc2n(CC(OCC)=O)c(cc2c1)C)C	80
+C(OC(Cn1c(cc2cc(N)ccc12)C)=O)C	0
+C1CCCCC1S(=O)(=O)c2ccccc2Cc3c(n(CC(OCC)=O)c4ccc(cc34)F)C	1919
+FC(F)(F)Oc1ccc(cc1)-c2nn(c(c2)CCOc3ccc4c(n(CC(=O)OCC)cc4)c3)C	1520
+FC(F)(F)Oc1ccc(cc1)-c2nn(c(c2)CCCOc3ccc4c(c3)n(CC(=O)OCC)cc4)C	1520
+FC(F)(F)Oc1cccc(C#CCCCOc2ccc3ccn(CC(=O)OCC)c3c2)c1	126
+FC(F)(F)c1ccc(cc1)-c2nn(c(COc3ccc4ccn(CC(=O)OCC)c4c3)c2C)C	1538
+FC(F)(F)c1ccc(cc1)-c2cc(n(n2)C)CCOc3cc4c(cc3)ccn4CC(=O)OCC	126
+FC(F)(F)c1ccc(cc1)-c2cc(n(C)n2)COc3cc4n(CC(=O)OCC)ccc4cc3	1538
+FC(F)(F)c1ccc(cc1)C#CCCCOc2cc3c(cc2)ccn3CC(=O)OCC	126
+C(Cn1c2c(cccc2C#N)cc1)(=O)O	3
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2c3n(CC(OCC)=O)ccc3ccc2	1920
+C(OC(N(CCCC)CCCl)=O)C	723
+C1CN(CCC1)Cc2cc(OCC=CCNC(CS(=O)CCNC(=O)OCC)=O)ccc2	1475
+C(OC(=O)Nc1c2ccc(cc2sc1)OC)C	1539
+C(OC(Nc1c(C(=O)O)sc2cc(OC)ccc12)=O)C	1
+C1CN(CCN1c2ccc(cc2)OC)C(Nc3c(nc4c(cc(C)cc4)n3)OC)=O	2475
+C1CN(CCN1C(Nc2c(nc3c(ccc(F)c3)n2)OC)=O)c4cc(ccc4)C	2475
+C1CN(CCN1c2ccccc2OC)C(=O)Nc3nc4ccc(cc4nc3OC)F	2475
+n1c(N)nn2cc(Oc3cc(C)cc(NC(c4cc(nn4C)C)=O)c3)ccc12	982
+n1c(nn2c(Br)cc(C)cc12)N	982
+C(C=O)#CCCCCCl	5879
+CCOC(OCC)c1nc2c(n1C)nccc2	5880
+CC(C)(C)OC(NC(c1sccn1)Cc2ccccc2)=O	3509
+C(C)OC(OCC)COc1cc(Cl)c(c(Cl)c1)OCc2ccccc2Cl	8
+c1(c2n(ccc1)ccn2)C(=O)O	3510
+n12cc(cc(C)c1ncc2)Br	3510
+CCOC(OCC)COc1c(cc(Cl)c(-c2nc(N)nc3c2cc(C(NCC)=O)s3)c1)Cl	8
+C(C)OC(OCC)COC(COCc1ccccc1)CC=C	176
+c1cc(ccc1[N+]([O-])=O)C(c2sccn2)c3ccc(cc3)Cl	3509
+CCOC(OCC)COc1ccc(cc1)C	8
+c1cc(ccc1Cl)OCC(OCC)OCC	8
+c1cc(ccc1O)-c2ccc(cc2)OCC(OCC)OCC	8
+O(CC)C(OCC)CSc1ccccc1C	636
+n1cc(n2c(ncc2)c1Br)Br	5881
+Clc1cc(cc(Cl)c1OCCCCOCC(OCC)OCC)OCC=C(Cl)Cl	20
+c1cc(ccc1)C(Oc2cc(CC)c(c(c2)CC)OCCCCOCC(OCC)OCC)=O	20
+OP(O)CC(CN)c1ccc(cc1)OC	5882
+c1(C)cc(nc(SCCCCCC)n1)C=O	1921
+c1cc(ccc1C2C(c3c4c(c(O)nn3)cccc4N2)c5ccc(cc5)F)C(OCC)OCC	5883
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)C(OCC)OCC	23
+CCC(c1c(c2c(c(ccc2)OC)nc1)O)=O	5884
+O=C(O)C(C(C)O)CCCC=C	4
+c1cc(ccc1-c2ccc(cc2)COC)C(N(C)C(C(OC)=O)C(NC)=O)=O	5885
+CCC(CC)C(=O)Nc1cc2c(N=CN3C(=O)C(C(OC)=O)=CN=C23)cc1	5886
+c1cc(ccc1)[Si](c2ccccc2)(OCCC3(C(C(=O)OC)(C(=O)OC)C3)c4cc(Cl)c(Cl)cc4)C(C)(C)C	5887
+c1c(CC(OC)=O)c([N+]([O-])=O)c(F)cc1	1540
+O=S(=O)(C)OCCC1(C(=O)N2CC=CC(C(OC)=O)N2C1=O)C	7
+COC1CC(C(OC)=O)COC1	1541
+C1c2c(cc(c(OC)c2)F)CCC1C(=O)O	4
+C1CC1C(=O)Nc2nccc(c2)Oc3c(F)cc4c(CC(C(OC)=O)CC4)c3	3511
+C1CC(CCC1)CC2C(OC)=CC(O2)=O	5888
+FC(F)(F)c1cccc(c1C)Cc2c3n(nc2N)C(=O)CC(=O)N3	5889
+C(c1cc2c(nc1O)cc(nc2)Cl)(=O)OC	5890
+c12nc(O)c(cc1cc(OC)c(OC)c2)C(OC)=O	3512
+COC(=O)C(C(OC)=O)c1c(cc(-c2cc(OCC)ccc2)cc1)[N+]([O-])=O	1266
+O(C(=O)C(C(OC)=O)c1ccc([N+](=O)[O-])cc1F)C	1266
+COC(=O)C(C(=O)OC)c1nc(nc(c1SC)OC)OC	5891
+c1cc(ccc1OCCOc2cc3CCCCc3cc2)C=C(C(OC)=O)C(OC)=O	5892
+c1ccccc1COc2c(cc3nc(c(C(OC)=O)cc3c2)O)OC	3512
+O=S(=O)(C)OCC1C(C1)(NC(=O)OC)c2cc(ccc2)[N+]([O-])=O	7
+C(c1ccc(cc1Cl)NC(OC)=O)Br	29
+CC(C)Nc1c(sc(c1)-c2ccccc2)C(OC)=O	5893
+c1c(cc2c(c(cnc2c1)C(=O)OCC)NCC(C)OC)Br	105
+c1cc(ccc1-c2c(C)c3c(N(C)C(=O)N(CCC(OC)=O)C3=O)s2)Cl	268
+C(CC(=O)O)c1cccc(F)c1	4
+Nc1ncc(CCC(=O)OC)nc1Br	439
+CC(C)(C)OC(=O)Nc1cn2c(ncc2cc1)C(=O)c3cc(c([N+](=O)[O-])cc3)C(OC)=O	1291
+C(OC)(c1ccccc1-c2ccc(CNc3nccc(c3[N+](=O)[O-])C)nc2)=O	70
+C(OC)(c1ccccc1-c2ccc(CN)nc2)=O	18
+O=C(O)c1cn2c(c(ncn2)C3c4c(NC3=O)cccc4)c1C	1
+N(C(c1nc(c(nc1N)N)Cl)=O)CCN	2476
+Nc1ncc(Br)nc1C(=O)OC	439
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)Nc2c(nccn2)C(=O)OC)Cl	3513
+c1c(c(ccc1Br)F)C(Nc2c(C(OC)=O)nccn2)=O	1542
+c1cc(ccc1C(=O)Nc2c(C(=O)OC)nccn2)Cl	1542
+c12c(ccc(OC)c1CC=O)cccc2	1292
+COCC(COC)(NC(=O)c1sc(cc1)Cl)C(Nc2ccc3CCN(CCc3c2)C)=O	33
+C(OC)C(COC)(NC(=O)c1ccc(Cl)s1)CO	1256
+C(OC)C(COC)(C(=O)O)NC(=O)c1sc(Cl)cc1	5894
+C(O)C(Oc1cc(C(Nc2ccn(C)n2)=O)cc(O)c1)C	88
+C1N(CC1)C(=O)c2cnc(cc2)Oc3cc(C(Nc4nn(C)cc4)=O)cc(OC(C)COC)c3	136
+CN(C)S(=O)(=O)c1ccc(Oc2cc(cc(C(=O)Nc3nn(C)cc3)c2)OC(C)COC)c(c1)Cl	46
+c1(cc(Oc2sc3C(NCCCc3n2)=O)cc(OC(COC)C)c1)C(=O)Nc4ccn(C)n4	5895
+c1cc(ccc1Oc2cc(cc(c2)OC(C)COC)C(=O)Nc3nn(C)cc3)C#N	46
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(OC(C)COC)cc(C(=O)Nc4cnc(cn4)C)c3	706
+O=S1(=O)CCCOc2c1ccc(Oc3cc(cc(OC(C)COC)c3)C(=O)Nc4cnc(cn4)C)c2	46
+C(O)C(Oc1cc(cc(O)c1)C(=O)OC)C	88
+c1(O)nnc(c2ccc(OC)cc12)COC	1922
+O=S(=O)(c1ccc2c(C(C(N2)=O)=O)c1)N3CCCC3COC	92
+c1(C)cc(C#N)cnc1N2CCCC2COC	361
+C(OC)C1N(c2cccc([N+]([O-])=O)c2)CCC1	79
+CC(C)(C)OC(=O)NC1CCCCC1CN2CC(COC)CCC2	61
+c1cc(Nc2nc(-c3cccc(C(=O)OC)c3)nc4scnc24)cc(N5CCCC5COC)c1	261
+C(OC)C1N(c2cc(ccc2)Nc3nc(nc4c3ncs4)Cl)CCC1	5896
+C(OC)C1N(c2cccc(N)c2)CCC1	0
+c1(C)cc(N)c2c(CC(COC)O2)c1Br	38
+C(OC)C1Oc2c(N)cc(C)cc2C1	0
+C1CC(CCN1Cc2ccccc2)(CCOC)C(=O)OCC	1232
+C1CC1COc2c(C#N)cc(-c3ccnc(c3)Nc4cn(CCOC)nc4)cc2	338
+c1cc2CCCN(c2cc1CO)CCOC	936
+C1N(CC1Oc2ncc(cc2)-c3cccc(OCCOC)c3)C(Nc4cnccc4)=O	8
+c1(ccc(NC(C)=O)cc1-c2ccnn2C)OCCOC	8
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3ncnc(OC4CCN(CC4)CCOC)c3	28
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cc(-c3ccc(cc3)OCCOC)cc(c2C)C(OC)=O)CCC	8
+CC(C)(C)c1cc(C(=O)OC)cc(OCCOC)c1	8
+n1c(C)cc(C(OCC)=O)n1CCOC	338
+C[Si](C)(C)CCOCn1cc(-c2ccc(cc2)Br)nc1C3N(CC(C3)OCCOC)C(=O)OC(C)(C)C	176
+FC(F)(F)C(=O)c1cn(c2c1c(ccc2)Cl)CCOC	339
+FC(F)(F)c1cc(I)cc(OCCOC)c1	8
+O=Cc1cc(Br)c(OCCOC)c(c1)OC	8
+O=S(=O)(c1ccc(C(OC)=O)c(c1OCCOC)C)C	8
+c1(OCCOC)cccc(C(=O)OC)c1OC	8
+Clc1cnc(c(c1)OCCOC)[N+]([O-])=O	458
+O(C)CCOc1cccc([N+]([O-])=O)c1	8
+c1cc(c(c(F)c1OCCOC)C#N)I	8
+c1(nc2ccc(OCCOC)cc2[n+]([O-])n1)N	8
+c12n(CCOC)ccc1c(C)ccc2F	339
+c1c(OCCOC)c(cc(C#N)c1)OC	8
+O(C)CCOc1cccc(CO)c1	8
+c1c(OCCOC)c(cc(c1)C(=O)OC)OC	8
+c1cc(N2C(CCC2)c3cc(cc(F)c3)OCCOC)nc4c(cnn14)C(=O)OCC	8
+c1cc(ccc1-c2c(C#N)c3c(n2CC)cc(cc3)OC)OCCOC	8
+CC(C)c1ccc(cc1)-c2nc3c(c(ccc3Br)OC)n2CCOC	656
+c1cc(ccc1C#N)-c2nnn(Cc3cc(C(Nc4sc5CC(CCc5n4)NCCOC)=O)ccc3)c2	132
+c1cc(ccc1C=O)OCCOC	8
+c1cc(N)c(cc1)SCCOC	636
+c1c(OCOC)ccc(n1)OCCOC	1923
+O(CCN1Cc2n(CC1)nc([N+]([O-])=O)c2)C	28
+C(OC)CC(N=C=S)C	5897
+C1C(CO1)(C)c2nc(-c3c(F)cc(cc3)F)c(-c4ccc5nc(oc5n4)NC(CCOC)C)[nH]2	3514
+c1cc(C)cc(c1OCCCOC)OC	8
+C(OC)CCOc1c(c(F)cc(c1)Br)F	8
+c1(C=O)cc(OCCCOC)c(cc1)OC	8
+C(OC)CCOc1ccc(c(CCO)c1)Br	8
+c1cc(cc(OCCCOC)c1OC)C(=O)OC	8
+C1CCN(C(=O)CCCO)c2cccc(Br)c12	88
+c1cc(ccc1C#CCCCCCOC)C2CC(CC2)(N)C(=O)OC	197
+CC(C)(C)OC(N1CC(CCC1)C(c2cccc(c2)Cl)(CCCCOC)O)=O	5898
+O(C)CCCCNc1cccc(Cl)c1-c2cccc(c2)CC	250
+[n+]1([O-])c(C)cc(cc1)OCCCCOC	857
+CC(C)(C)OC(=O)N1CCCC(C1)C(CCCCOC)(O)c2ccccc2Oc3ccccc3	5899
+c1(cc(ccc1)CCCCOC)C=O	146
+c1cc(C)cc(OCCCOC)c1OCC	72
+C(OC)CCOc1c(OC)cc(C)c(c1)C(=O)O	789
+CC(C)C(Cc1cc(F)c(F)c(c1)OCCCOC)=O	3517
+FC(F)(F)S(=O)(=O)Oc1ccc(CCC(OCC)=O)cc1OCCCOC	376
+C(OC)CCOc1c(OC)cc(C)c(C=O)c1	146
+CC(C)[Si](C(C)C)(C(C)C)OCCc1cc(OCCCOC)ccc1Br	19
+c1c(c(c(cc1C(=O)OC)CCCO)C)Br	88
+O(C)CCCn1cccc1C=Cc2c(cccc2)Cl	5900
+c12nc(ncc1N(C(CCN2CCOC)=O)C)Nc3c(cc(C(=O)O)cc3)OC	55
+N1(C(=O)CN(c2ccc([N+]([O-])=O)cc2F)CC1)CCOC	3518
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2onc(n2)CN(CCOC)C)=O	3519
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(C)CCOC	468
+CC(C)(C)OC(NC(C(=O)OC)CCN(C)CCOC)=O	183
+CC(C)(C)OC(=O)Nc1c([N+](=O)[O-])cc(c(N(CCOC)C)c1)Cl	202
+c1ccccc1-c2ccc(cn2)-c3n(c(nn3)N(C)CCOC)-c4c(Br)cccc4	3520
+O(CCOC)c1cc(C(C#N)C(=O)C)ccc1OCCOC	1260
+C(OC)COc1c(OCCOC)cc(cc1)CC#N	177
+FC1(F)C(CC(CNC(=O)c2cc(n3cccc(Cl)c23)CCOC)CC1)C	56
+FC1(F)CCCC(C1)CNC(=O)c2cc(n3cccc(Cl)c23)CCOC	56
+C(OCC)(Cc1cc(ccc1)OCOC)=O	175
+C12CC3CC(C1)CC(C2)(C3)c4cc(cc(c4OCOC)C(c5ccccc5)=O)Br	175
+C1CCC1(OCOC)c2nccs2	433
+C1C(CN1C(CCOCCc2ccc3c(ccs3)c2)=O)OCOC	433
+C1CC(c2c1c(OCOC)ccc2)=O	175
+CC(C)(C)OC(CC(COCOC)NC(OCc1ccccc1)=O)=O	433
+CC(C)(C)OC(c1ccc(cc1NC(c2cc(ccc2OCOC)C)=O)-c3ccccc3)=O	175
+CC(C)(C)[Si](C)(C)OC1C=C(C(OCOC)(C)C1)CC=C	3521
+CC(C)(C)[Si](C)(C)Oc1ccc(Br)c(c1)COCOC	433
+CC1(C)c2cc(c(OCOC)cc2C(C)(C)CC1)C(CC)=O	175
+CN(C)c1cc(C=O)ccc1OCOC	175
+C(OCc1nc(OC)ccc1Br)OC	433
+FC(F)(F)C(=O)N1CCc2c(ccc(CCl)c2)CC1	3522
+FC(F)(F)c1c(ccc(S(=O)(=O)N(c2c(ncc(c2)C)Br)COC)c1)Cl	2478
+O=Cc1cc(cc(OC)c1OCOC)Br	175
+O=Cc1ccc(cc1O)OCOC	175
+O=Cc1ccccc1OCOC	175
+O=S(=O)(c1cc(c(Cl)cc1)C)N(c2c(ncc(c2)Cl)Br)COC	2478
+O=S(=O)(N(COC)c1c(ncc(c1)Cl)Br)c2cc(c(cc2)Cl)CC	2478
+S(c1cc(F)c(cc1C)CCl)C	3522
+c1(c(C)c2SC(CCCO)Oc2c(c1C)C)OCOC	175
+c1(Br)cc(cc(Br)c1)OCOC	175
+c1(C=O)cc(C)c(cc1)OCOC	175
+C(Oc1ccccc1C(C)=O)OC	175
+O(COC)Cc1c(cc(c(c1OC)OC)OC)[N+](=O)[O-]	433
+c1ccc([N+]([O-])=O)cc1OCOC	175
+C1Oc2c(c(F)c(OCOC)cc2CC1)F	175
+c1(c(c(OCOC)ccc1)C)Br	175
+c1c(c(c2c(cc(OC)cc2)c1)Br)OCOC	175
+COc1c(OCOC)c(ccc1O)Br	175
+c1(cc(cc(C)c1Br)OCOC)C	175
+c1cc(cc(c1C(=O)C)O)OCOC	175
+c1c(c2c(OCOC)c(Cl)cc(C=O)c2cc1)CC	175
+c1c2c(c(c(Br)c(C)c2)OCOC)ccc1OC	175
+c1cc(c2c(c(F)ccc2)c1)OCOC	175
+c1cc(ccc1)C(Oc2cc(Cl)c(OCOC)c(C)c2)=O	175
+c1cc(ccc1)COc2ncc(OCOC)cc2	5901
+c1cc(ccc1-c2oc3c(cc(c(N(c4cc(Cl)c(cc4)C(OCOC)C=C)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	3521
+c1cc(ccc1Cl)-c2c(c3sc(cc3n2COC)C(=O)OC)C4CCCCC4	5902
+c1cc(nc2c([N+](=O)[O-])c(OCOC)ccc12)C	175
+c1c2ccc(OCOC)c(C#N)c2nc(C)c1	175
+c1cc(ccc1)COc2ccc(cc2OCOC)C=O	175
+c1cc(ccc1-c2cc(OCOC)no2)OCc3ccccc3	5903
+CC(C)c1c(c2ccc(cc2n1Cc3ccccc3)OCOC)C(NCc4cc(F)c(cc4)F)=O	175
+O=C(OC)N1CC(C(C1)OCC)Nc2nc(c(nc2CC)I)CC	5904
+C(OCC(N1Cc2ccc(cc2CC1)C(NOC3OCCCC3)=O)=O)COC	10
+CC(C)(C)c1c(OC)c(N2CCN(CC2)C(=O)COC(=O)C)cc(Br)c1	58
+CC(C)(c1cccc(c1)C(Nc2cc(Oc3nc4c(nc(NC(=O)COC(C)=O)s4)cc3)c(CC)cc2)=O)C#N	290
+CC(C)n1c(cnc1C)-c2nc(ncc2)Nc3ccc(cc3)N4CCN(CC4)C(=O)COC(=O)C	58
+FC(F)(F)CCCn1c2c(cc(C#N)cc2)nc1COC(C)=O	849
+c1c(OC)ccc2nc(NC(COC(C)=O)=O)sc12	290
+c1cc(ccc1F)-n2ncc3cc(c(C)cc23)OC(C(NC(COC(=O)C)=O)C)c4cccc(OC)c4	68
+C(OCC(N1Cc2ccc(cc2CC1)C(NO)=O)=O)COC	5905
+c1cc(ccc1C)S(=O)(=O)OCC(OCCCCCCCC)COCCCCCCCC	36
+C(CCC)(c1c(c2cccc(C(=O)C)c2nc1)O)=O	3523
+CC(C)(C)OC(=O)N(C)c1ncnc(-n2ncc(C(OCC)=O)c2N)c1	5906
+FC(F)(F)c1cc(F)c(c(Cl)c1)-n2c(c(cn2)C(OCC)=O)N	1924
+CCOC(c1c(N)n(C)nc1)=O	3480
+c1c(ccc(c1F)-n2c(c(cn2)C(=O)OCC)N)F	1924
+c1(CCCC(=O)OC)cc2c(c(C#N)cnc2s1)O	5907
+c1cc(ccc1F)-n2ncc(C(=O)OCC)c2N	1924
+c1cc(ccc1OC)-n2ncc(c2N)C(=O)OCC	1924
+c1(CC(c2c(ccc(OC)c2F)OC)=O)cccc(c1)OC	5908
+C(C)OC(c1c(c2c(c(I)ccc2)nc1)O)=O	1861
+C(=O)(OCC)C(C(=O)OCC)c1nc(sc1)N	5909
+C1(=O)NC(NC(=O)C1CCCCCCCCCC)=O	3524
+C(Cc1ccc(OC)cc1[N+]([O-])=O)(OCC)=O	976
+Oc1nc(c2ccsc2n1)-c3c(cccc3)F	5910
+O=S(=O)(C)OCCN(C)C(=O)OCC	7
+C1CC1c2cc(Br)c(NC(NC(=O)OCC)=S)nc2	1123
+CC(C)(C)OC(Nc1cc(Oc2cnc(cc2)NC(NC(OCC)=O)=S)ccc1C)=O	1123
+C(OC(=O)NC(Nc1cc(C)cc(Br)n1)=S)C	1123
+FC(F)(F)c1cccc(-c2c(c(cn3nc(N=C=S)nc23)Br)C)c1	5911
+CCOC(=O)NC(Nc1c(Br)cccn1)=S	1123
+C(OC(=O)NC(Nc1ccc(Oc2cc(C)cc(NC(c3cc(nn3C)C)=O)c2)cn1)=S)C	1123
+c1cc(ccc1-c2c(nccc2)NC(NC(=O)OCC)=S)F	1123
+C1(C(CCCC1)NC)O	1925
+C1CN(CCN1c2ccccc2OC)CCN3C(c4c5CN(Cc5sc4N=C3)C(OCC)=O)=O	3435
+C(C)OC(=O)C1=NN(c2c(F)ccc(c2)F)C(C1)=O	5912
+C(c1c(O)c2c(nc1)cc(c(OC)c2)OC)#N	5913
+C(CC1=CC(Oc2cc(ccc12)O)=O)(N)=O	5914
+c12c3c(cccc3)ncc1nc(CCC)n2CCC(OCC)=O	730
+C(OCC)(CCNc1c(cnc2ccccc12)N)=O	13
+FC(F)(F)COc1c(cc(cc1Cl)CC(OCC)=O)Br	3525
+C(c1cc(C)c(-c2cc(ncc2)C)nc1)C(=O)O	3
+C(OCC)(Cc1cc(c(C)cc1)O)=O	5
+c1c(OC)c(ccc1CCO)C#N	44
+Cc1cccc(C)c1COc2cc(CC(=O)OCC)ccc2C	139
+O=S(=O)(C)c1cc(c(Oc2c(Cl)ccc(CC(=O)OCC)c2)cc1)Cl	46
+c1(c(OCCC(CCCC)c2sc3cc(ccc3c2C)OC)ccc(CC(=O)OCC)c1)OC	8
+c1cc(ccc1-c2c(c(no2)C)NC(=O)OC(C)c3c(cccc3)Cl)-c4cc(ccc4)CC(=O)OCC	99
+C(OCC)(Cc1cc(ccc1)C#N)=O	1926
+c1cc(cc(CC(=O)OCC)c1)CN	107
+c1(cc(ccc1)CC(OCC)=O)C=O	1543
+FC(F)(F)c1ccc(cc1)COc2cccc(CC(=O)OCC)c2	22
+c1c(C)c(c(cc1)C)COc2cccc(CC(=O)OCC)c2	20
+COc1cccc(OC)c1COc2cc(CC(=O)OCC)ccc2	657
+C(OCC)(=O)C(C(=O)c1c(ccc(OC)c1F)OC)c2cccc(OC)c2	5915
+O(CC)C(C(C)c1cccc(OCOC)c1)=O	643
+c1(ccc(CC(OCC)=O)cc1Cl)N=C=O	861
+C(OCC)(Cc1cc(Br)c(O)c(Cl)c1)=O	662
+C(=O)(Cc1cccc(NC(=O)c2cccc(Br)n2)c1)OCC	187
+c1c(cc(Cl)c(C(Nc2cccc(c2)CC(OCC)=O)=O)c1)Br	67
+c1cc(ccc1N(C)C)-c2ccc(C(=O)Nc3cc(CC(OCC)=O)ccc3)o2	1242
+c1cc(ccc1-c2c(CC(=O)OCC)cc(C(=O)c3occc3)s2)C#N	5916
+c1ccccc1C=2CCN(CCCCN(c3cc([N+]([O-])=O)ccc3C(OC)=O)C(=O)OCC)CC=2	2480
+C(OCC)(N(c1cc(Cl)nc(c1[N+]([O-])=O)N)Cc2ccc(C)nc2)=O	664
+C1CC(CCO1)COc2cc(c(c(N)n2)[N+](=O)[O-])N(C(OCC)=O)Cc3cnc(cc3)C	91
+c1(C)[nH]c(cc1Cl)C(NC2C(CN(C(OCC)=O)CC2)OCC)=O	81
+COc1nc(CC(=O)OCC)c(C(OCC)=O)cc1	766
+c1cc(c(cc1-c2n(c(c(C#N)c2Cl)Cl)COCC)Cl)Cl	2481
+FC(F)(F)c1cccc(OCOCC)c1	175
+c1(nc2c(o1)ccc(c2)C(C)C(=O)N(COCC)c3ccnc4c(cccc34)F)-c5c(Cl)cccc5F	5917
+C(OCCOCCSc1cc(OC)cc(c1)[N+]([O-])=O)COC	176
+c1cc(ccc1C(OCC)=O)OCCOCCOC	8
+[N-]=[N+]=NCCOCCOc1ccc(C=O)c(c1)O	310
+c1[nH]c2c(c1CCCO)c(C)c(cc2)[N+]([O-])=O	665
+C(OCCCl)CC(Nc1ccc(cc1C)C(=O)OC)=O	26
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOCCO	53
+c1ccccc1C2(CCN(CC2)CCOCCO)c3ccccc3	53
+CC(C)(C)OC(NCCOCCO)=O	37
+Clc1ccc2c(nccc2NCCOCCO)c1	105
+O=C1C2CCCCC2C(=O)N1CCOCCO	5918
+O=S(=O)(Cc1c(cccc1)[N+]([O-])=O)NCCOCCO	111
+C(O)COCCNc1n[n+]([O-])c2ccccc2n1	1888
+CC1(C)NC(C)(C)N(CCCOCCOCCOC)C1=O	481
+C(COCCN=[N+]=[N-])OCCO	558
+COCCOCCOCCOCCOCCO	649
+CCOP(OCC)(=O)CCOCCOCCOC	5919
+C(OCCOCCCl)COC	221
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOC)C	1293
+c1cccc2nc(-c3c(OCCOCCOCCOC)cc([N+](=O)[O-])cc3)sc12	126
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOC)C	36
+OP(O)(=O)CCOCCOCCOC	228
+C(OCCOCCS(=O)c1cc(cc(N)c1)OC)COC	0
+C(OCCOCCS(c1cc(cc(OC)c1)[N+]([O-])=O)=O)COC	357
+CC1(C)OB(OC1(C)C)c2ccc(cc2C)OCCOCC	17
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCOCCO	5920
+CC(C)(C)OC(N1CCN(CC1)c2ccccc2OCOCCOC)=O	175
+CC(C)(C)OC(Nc1c2c(ccc(OCOCCOC)c2)ccc1)=O	175
+CC(C)(C)c1ccc(c(Br)c1)OCOCCOC	175
+Clc1ccc(c(C=O)c1)OCOCCOC	175
+FC(F)(F)c1c(OCOCCOC)ccc(Br)c1	175
+O=C1CC(CC(=C1)OCC)c2c(OCOCCOC)cccc2	175
+O=S(=O)(N(COCCOC)c1c(Cl)c(no1)C)c2csc3ncccc23	5921
+C(OCOc1cccc(I)c1)COC	175
+C(OCn1cnc2c1cc(Cl)c(c2)Sc3cc(C)ccc3)COC	1544
+C(OCOc1ccc(cc1Br)C#N)COC	175
+c1c(C)c(c(cc1C=O)C)OCOCCOC	175
+O(CCOC)Cn1cnc2c(c(Cl)c(cc12)Cl)Cl	1544
+c1cc(ccc1Cl)Nc2c3c(nc(Cl)n2)n(cn3)CCOCC	1545
+CC(C)(C)OC(NC(C)C(N(c1c2cc(OCOCCOC)ccc2ccc1)C)=O)=O	429
+CC(C)(C)OC(NCc1cc(Br)c(OCOCCOC)cc1)=O	37
+C(OCOc1ccc(CN)cc1Br)COC	107
+C[Si](C)(C)C#Cc1cc(ccc1)OCOCCOC	311
+C1CCCC1CN(CC)c2ccc(nc2COCOC)OC	5922
+C(OCc1ccc(CCO)nc1)OC	5923
+c1cc(ccc1OCCc2ncc(cc2)COCOC)[N+]([O-])=O	57
+C(OCc1c(NCC)ccc(OC)n1)OC	3526
+C(COCc1nccs1)O	88
+C(C)OC(c1cnn(-c2[nH]c3cc(c(Cl)cc3n2)Sc4cc(C)ccc4)c1)=O	5924
+C(OCn1c2cc(Cl)c(cc2nc1-n3ncc(C(=O)OCC)c3)Sc4cc(C)ccc4)COC	2482
+O(CCO)Cn1c2ncccc2nc1	59
+C1CC1c2ccc(Nc3c(ccc4cncn34)C(=O)NOCCOC=C)c(F)c2	1546
+C1CN(CCN1c2ccc(cc2)Nc3ncc(cn3)CCc4cc(C(=O)NOCCOC=C)cc(OC)c4)CC	514
+Fc1c(c(Nc2ccc(I)cc2C)c(C(=O)NOCCOC=C)cc1F)F	514
+c1c(I)cc(c(Nc2c3cnsc3ccc2C(NOCCOC=C)=O)c1)F	514
+c1c(cc(c(NC2=CC(=O)N(C)C=C2C(NOCCOC=C)=O)c1)F)Br	3527
+c1c(cc(c(Nc2c(c3c(cc2C(NOCCOC=C)=O)n(cn3)C)Cl)c1)Cl)Br	514
+c1c(cc(c(Nc2c(C(NOCCOC=C)=O)ccc3cncn23)c1)F)Br	1546
+c1ccccc1CCCNc2scc(CON=C(c3cc(SC)ccc3)c4n(nnn4)C)n2	5925
+C1COC(O1)CCCC(C(=O)OCC)=Cc2ccc(-n3cc(nc3)C)c(c2)OC	1096
+O=C(OCC)C(=Cc1cc(c(cc1)-n2cc(nc2)C)OC)CCCCl	1096
+N(=[N+]=[N-])CCP(OCC)(=O)O	228
+c1(C=O)ccc(c(c1)CP(=O)(OCC)O)O	228
+Clc1cc(c(O)cc1)C=Cc2c(cccc2)Br	1265
+Clc1cc(c(O)cc1)C=Cc2c(cccc2)Cl	1265
+C(C)OP(OCC)(=O)c1csc(I)c1	1927
+c1cc(ccc1C(=O)OC)C2N3C(CCC2)CCC(C3=O)=Cc4cc(c(-n5cc(nc5)C)cc4)OC	3528
+c1cc(ccc1)-n2cc(C=Cc3nc(sc3C)N4CCOCC4)c(n2)OCOC	5926
+C(OP(OCC)(Cc1cc(ncc1)C(N)=O)=O)C	862
+O(CC)P(OCC)(Cc1cc(c(cc1F)[N+]([O-])=O)F)=O	5927
+C(Oc1nc(COC(C)=O)ccc1)CCC	5928
+C1CC(CCC1N(CCCOc2c(Cl)cc(c(c2)OC)CO)C)OC(C(c3cccs3)(c4cccs4)O)=O	28
+c1(OC)cc(c(c(OC)c1O)C(=O)c2c(OC)ccc(Cl)c2C)C	5929
+n1(c(c(nc1Sc2c(Cl)cc(cc2)Nc3c(cnc4cc(OCCCCl)c(OC)cc34)C#N)C)C)CC	179
+c1c(N)cc(cc1)Sc2c3c(cc(OC)c(OCCCCl)c3)ncn2	1124
+C(Oc1c(OC)cc2c(c(ncn2)Cl)c1)CCCl	64
+C1CCN(C1)CCCOc2cc3nccc(O)c3cc2OC	53
+COCC#Cc1c2OCOc2c(Nc3ncnc4cc(OCCCCl)c(cc34)OC)c(c1)Cl	73
+O=S(=O)(NCCOc1c(cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)cc1Br)OCC)C	111
+C(Oc1c(OC)cc2c(c(ncn2)O)c1)CCCl	3529
+C1CCN(C1)c2nc(N3CCCC3)nc(N4CCN(CC4)CCCOc5cccc6[nH]c(C(=O)N)cc56)c2	53
+C(Oc1cc(OC)ccc1NC(C)=O)CCBr	26
+c1cc(ccc1Cl)CC2(O)C(C)(C)CN(CC2)CCCOc3c(NC(C)=O)ccc(c3)OC	28
+c1c(OCC)c(c(cc1CN2CCC(CC2)Nc3nc4cc(OCC(O)CO)ccc4o3)OCC)Cl	5930
+c1ccc2c(cc(OCCC)c(N)c2)c1	106
+c1(ccc(C#N)cc1CCC)OCCCOc2ccc3c(c2)ccn3CC(=O)OC	8
+O=C(NCCCOc1cc2ccc(O)nc2cc1)n3cncc3	2483
+[n+]1([O-])ccc(OCCCC)c(C)c1COC(=O)C	983
+C1CN(CCC1)CCCOc2cc(C)c(-c3cn4c(cc(C)cc4)n3)cc2	53
+C(Oc1ccc(-c2cn3ccc(C)cc3n2)c(C)c1)CCCl	440
+C1CN(CCN1CCCOc2ccc(N)c(c2)[N+](=O)[O-])C	28
+c1ccccc1CNC(C)COc2ccc(c(C(N)=O)c2)O	87
+C1CN(CCO1)CCCOc2cc([N+](=O)[O-])c(C)cc2	28
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)C(NCCOc3cc(ccc3)C#N)=O)=O	14
+c1cc(ccc1C(c2cc(OC)c(OC)cc2)=O)C(NCCOc3cc(ccc3)C#N)=O	14
+CC(C)(C)S(N=C(c1c(C#N)nccc1)c2cc(OCCCF)ccc2)=O	5931
+C(Oc1cccc(C(=O)c2cccnc2C#N)c1)CCF	5932
+Cc1cc(ccc1)OCC(C)=NO	350
+c1(cc(ccc1Br)OCCCBr)CC	38
+CC1(C)COc2cccc(OC)c12	5933
+c1c(N)cc(cc1)OCCCBr	0
+C(Oc1cccc(c1)C(=O)OC)CCI	363
+C1CN(CCC1)CCCOc2cc(ccc2)C(OC)=O	183
+c1cc(ccc1)C(c2ccccc2)CNCCCOc3cc(ccc3)CC(=O)OC	132
+O=S(=O)(C)OCCOc1cccc2c1cccc2	7
+C(Oc1cncc(Br)c1)CCNC	284
+C(Oc1nc(CO)ccc1)CCC	59
+c1cc(ccc1)COC(N2CC(CCC2)CCn3c4c(nc3OC)c(nc(OC(CCC)C)n4)N)=O	637
+c1ccccc1COC(N2C(CCCC2)CCCn3c4c(c(nc(OCCCC)n4)N)nc3OC)=O	637
+c1c(C2(c3ccnc(OCCCF)c3)c4cccnc4C(N2)=N)cccc1Br	5934
+C1CCN(C1)CCCOc2noc(C(Nc3cc(c(cc3)F)Cl)=O)c2	28
+S(C)(Cc1cccc([N+]([O-])=O)c1)(=O)=NC(OCC)=O	5935
+C(Sc1ccnc(CO)c1C)CCS	1275
+FC(F)(F)c1cccc(c1)C2SCCCS2	3530
+c1c(F)cc(cc1C2SCCCS2)F	3530
+O=S(=O)(C)c1ccc(C(=O)c2cnn(CC)c2OC(=O)SCC)c(c1OCCOC)C	3531
+O=S(=O)(C)c1ccc(C(=O)c2c(n(C)nc2)OC(=O)SCC)c(c1OCCOC)C	3531
+O=S(=O)(Cc1cccc(NC(C)=O)c1)CC	1547
+Cc1cc(C=2OC(SN=2)=O)ccc1	1928
+c1cc(ccc1Cl)C=2OC(SN=2)=O	1928
+c1ccccc1COc2ccc(cc2)C=3OC(SN=3)=O	1928
+C(C(=NO)c1c(F)cnc2ccc(OC)cc12)CC3CCN(CCSc4c(ccc(F)c4)F)CC3CC(=O)OC	189
+C(c1ccccc1SCC)Cl	109
+Brc1sc(SCCCNC(C)=O)cc1	407
+c1nc2ccc(SCCCSc3ccnc(c3C)CO)nn2c1[N+]([O-])=O	1929
+CC(C)(C)OC(=O)NC1CCN(CC1)CCSc2nc3cc(ccc3nc2)OC	61
+c1(ccc(cc1C#N)Cc2ccc(c(OC)c2)OC)N	5936
+C(#N)c1[nH]c(C(=O)O)c(Cl)c1Cl	1
+O=S(=O)(N(C)C)c1cc2c(cc1)NC(=O)C2=Cc3c(c4ccccc4[nH]3)C	292
+s1c(nc2-c3cc([N+]([O-])=O)ccc3CCc12)Cc4nc[nH]c4	3532
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nnnc4CCCCC#N	5937
+C(OC(=O)C)c1c(Br)c(C)cc(OC(=O)C)c1	283
+c1cc(ccc1CCCC)C#Cc2c(CCC)c(ccc2)F	455
+c1cc(ccc1C(O)=O)-c2scc(Br)c2CC(=O)OC	268
+C(c1c(C(NC)=O)[nH]c2cc(c(OC)cc12)F)CNC(C)=O	81
+n1cccc(C)c1CN(Cc2ncccc2C)Cc3ccc(cc3C(OC)=O)C#N	131
+Clc1c([N+]([O-])=O)cc2CN(C(c2c1)=O)C	854
+c1(C(=O)OC)cc([N+]([O-])=O)ccc1COC	149
+O(Cc1c(C(=O)OC)ccc([N+]([O-])=O)c1)c2cccc(NC(C)=O)c2	22
+N1(Cc2c(C1=O)ccc([N+]([O-])=O)c2)CC	854
+c1([N+]([O-])=O)ccc2C(=O)N(Cc2c1)C	854
+c1(cc2cccnc2cc1)N3C(c4cc(OC)ccc4C3)=O	1473
+COc1c(c(C)c(C#N)c(Cl)n1)Cl	91
+FC(F)Oc1cc(cc(C)c1CC=C)C	1548
+C1CC(CCC1C(=O)OC)NC(c2cc(cnc2C)Cl)=O	1281
+[N+](=O)(c1c(C(O)=O)c(cc(c1OC)Cl)Cl)[O-]	65
+O(Cc1c(Cl)ccc([N+]([O-])=O)c1)c2cccnc2	483
+O(Cc1c(Cl)ccc([N+]([O-])=O)c1)c2cnc(cc2)F	483
+C(c1c(Cl)nc(nc1Cn2ccnc2-c3cccc(F)n3)C)CC	5938
+[N-]=[N+]=Nc1c(CCC)c(nc(C)n1)Cn2ccnc2-c3cccc(F)n3	3533
+c1ccnc(NCC)c1NC(c2cc(Br)cnc2Cl)=O	1549
+C1CC1Nc2ccccc2NC(=O)c3cccnc3Cl	971
+C(C)OC(c1c[nH]c(C(c2cccnc2Cl)=O)c1)=O	2484
+FC(F)(F)c1cc(nc(Cl)c1NC(=O)c2cccnc2Cl)C	1549
+n1c(Br)c(NC(c2cccnc2Cl)=O)ccc1OC	1549
+n1ccc(C)c(c1OC)NC(c2cccnc2Cl)=O	1549
+c1cc(c(Cl)nc1)C(=O)c2ccc(C(NC)=O)[nH]2	2484
+c1(C(=O)c2ccc[nH]2)cccnc1Cl	2484
+Nc1cc(C(=O)OC)c(F)c(c1)N2CCCC2=O	0
+C1OC(CCC1)OCCNC(c2c(F)ccc([N+]([O-])=O)c2)=O	219
+C1(N(Cc2c(F)cccc2)C(C(N=O)=C(N)N1)=O)=O	863
+C(c1c(O)c(cc2CCC(C)(Oc12)CCC(OCC)=O)C(=O)C)CC	27
+CCOC(=O)CCC1(C)Oc2c(cc(C(=O)C)c(c2CCC)OCCCOc3ccc(C(=O)C)c(O)c3CCC)CC1	8
+c1(c(ccc(C(C)=O)c1OCCCOc2ccc(C(=O)C)c(O)c2CCC)OCC(=O)OCC)CCC	8
+CC(C)(CCCCOc1ccc(c(c1CCC)O)C(C)=O)C(=O)OC	8
+C(c1c(ccc(c1O)C(=O)C)OCC(OCC)=O)CC	52
+C(c1c2cc(OCC(OC)=O)ccc2ccc1OCCCOCCCOc3ccc(c(c3CCC)O)C(C)=O)(=O)C	8
+c1cc(ccc1COc2c(c(O)c(cc2)C(C)=O)CCC)C=CC(=O)OC	22
+c1cc(ccc1C(=O)CCCCC(OC)=O)SCCCOc2c(c(c(cc2)C(C)=O)O)CCC	8
+C=CCc1c(O)c(ccc1OCCCOc2cccc(c2CCC)OCC(=O)OCC)C(=O)N	72
+C(c1c(O)c(ccc1O)C(NC)=O)CC	732
+C1(C(=O)OC)CCc2c(c(c(cc2)OCCCOc3ccc(c(c3CCC)O)C(=O)NC)CCC)O1	116
+Clc1c2cc(c(cc2ncc1C#N)OC)OC	120
+O=C1c2ccccc2C(=O)N1Cc3ccc(cc3OC(C)=O)[N+]([O-])=O	1930
+O(C)c1c(cc(C(=O)OC)cc1OC)CCC=CCC	1516
+C(c1cc(c(C(=O)OC)cc1O)F)CC	5
+c1(ccccc1Cl)Oc2cc(c(cc2)OC)C(C(=O)OCC)(C#N)C	3534
+C(c1c(OC)nc(C)cc1)n2c3cccc(NC(=O)c4n5c(cccc5)nc4)c3c(CC)n2	466
+C(n1c2cccc(NC(=O)c3n4c(cccc4)nc3)c2c(CC)n1)c5ccc(nc5O)C	104
+C(c1c(OC)nc(C)cc1)n2c3c(c(CC)n2)c(N)ccc3	0
+c1(c[nH]c2c1cc(cn2)C)Cc3c(nc(cc3)NC(c4cc(cnc4OC)F)=O)F	5939
+O=Cc1c(c(CC(=O)O)c(C)[nH]1)C	413
+C(c1c(O)c(ccc1O)C(=O)N)C=C	666
+C(c1c(O)c(ccc1O)C(NC)=O)C=C	513
+C1CN(CCO1)CCNc2c(cccc2F)C(=O)OC	60
+C(CCCC)CCc1c(F)c(ccc1)F	414
+C(CCCCc1sc(C(Oc2c(C#N)c(c(cc2)OCCCCCCCC)C#N)=O)cc1)CCCCCCC	852
+C(=O)(O)c1c(F)c(OC)ccc1OC	6
+c1cc(-c2cc3c(c(C(=O)NCC(=O)OCC)c2O)ncc(n3)-c4sccc4)cc(F)c1F	2485
+c12c(c(Cl)ccc1)ncc(C(Nc3nccs3)=O)c2O	1931
+c1(c(cc(Br)c(C)c1Cl)C(=O)OC)O	196
+FC(F)(F)Oc1ccc(cc1)-n2nc(nc2)-c3ccc(cc3)CCCNC(NC(=S)Nc4c(ccc(C)c4)CCC)=O	3390
+c1c(ccc2c1nc(OC)c(N)n2)F	5940
+N1(NC(c2c1cc([N+]([O-])=O)cc2)=O)Cc3c(cc(cc3)C(=O)OC)OC	5941
+CC(C)N(C(C)C)C(c1ccc(cc1OC)OC)=O	115
+Nc1cc(C(=O)OC)c(cc1)Br	0
+c1ccc(c(c1)C(c2c(F)cccc2)Oc3ccc([N+]([O-])=O)cc3C(=O)OC)F	5942
+c1c(c(C(=O)OC)cc(c1)C(=O)C)OC	65
+c1cc(ccc1C(O)CCCc2ccccc2)OCCCOc3ccc(C(C)=O)c(c3CCC)O	8
+C(c1c(ccc2c1OC(CCC(OCC)=O)CC2)OCCCI)CC	363
+C1CC1Cc2c(OCCCOc3c(CCC)c4c(cc3)CCC(CCC(=O)OCC)O4)ccc(C(NC)=O)c2O	116
+FC(F)(F)S(=O)(=O)Oc1ccc2c(ccc(OC)c2)c1CC=C	166
+FC(F)(F)c1ccc(OCCCOc2c(cc(cc2C#Cc3c(Cl)cccc3)OCC=C(Cl)Cl)Cl)nc1	129
+c1cc(ccc1C)OC(C(OC)=O)c2ccccc2Cl	2486
+n1c(ccc(c1)-c2cc3c(cc2Br)CCO3)N	5943
+CC(C)(C)[Si](C)(C)OCC(Cc1c(cccc1)OC)O	19
+Oc1c(CC(N)=O)cccc1	5
+C1COCCN1C=2c3ccccc3C(N(N=2)NC(=O)Cc4c(OC)cccc4)=O	2487
+FC(F)(F)c1ccc(cc1)CCN(C(=O)Cc2ccccc2OC)c3ccc(OC)c(F)c3	429
+C(c1c(cccc1)OC)C(N)=O	3536
+c1ccccc1C2(O)CC(CC#N)CC3CN(C(=O)Cc4c(OC)cccc4)CC23	10
+c1(ccc(O)c(C(=O)O)c1C)Br	38
+C(c1c(cccc1F)O)CC	5
+c1cc(ccc1)COc2c(CC=C)c(ccc2)C(OCC)=O	22
+CN(C)CCON=Cc1cc2ncc(-c3cccc(c3)-c4c(scc4)C#N)n2cc1	135
+C(c1c(ccs1)-c2cc(ccc2)-c3cnc4n3ccc(C=NO)c4)#N	135
+FC(F)(F)S(=O)(=O)OCCn1c(c(c(n1)C)CC(=O)NCc2c(cc(F)cc2)Cl)C	1932
+n1c(c(ncc1OC)CO)OC	1125
+c1(-c2nc(F)ccc2)n(Cc3c(CCC)c4n(ccn4)c(C)n3)ccn1	5944
+O=Cc1sccc1CC(CCCC)CC	3537
+CC(C)(C)c1cc(n(-c2ccc(cc2)F)n1)NC(=O)c3cccc4cc(ccc34)Oc5ncnc(Cl)c5	330
+C(c1c2c(ccc1OCCF)C=C(C(=O)O2)C(=O)O)CC	108
+Ic1cc(ncc1)-n2c3c(c(n2)C(O)=O)CCCC3	2488
+Cc1c2c(nn1C)ccc3CCC(c23)=O	5945
+C(c1c2c(ccc1OCCCOCCCOc3ccc(c(c3CCC)O)C(C)=O)ccc(OCC(=O)O)c2)(=O)C	4
+c12c(CC(=NO)N)coc1c(Cl)ccc2	609
+CC(C)(C)ONC(=O)C1(C)COCCC1NS(=O)(=O)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4	139
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=O	139
+C(c1c2ccccc2nc(n1)CCNC(C)=O)(O)=O	206
+CN(C)c1ccc2CN(CCc2c1O)C(=O)c3c4ccccc4nc(n3)CCNC(=O)C	147
+c1(c[nH]c2ncccc12)Cc3nnc4n3nc(-c5cnn(C)c5)cc4	2489
+Cc1ccccc1-c2nc(C)sc2NC(c3c4n(ccc(n4)Cl)nc3)=O	5946
+CC(C)CNCc1ncn2c(ncn2)c1CCC	3290
+C[Si](C)(C)CCOCn1c(-c2cc(Cl)ccc2OC(F)F)c(cn1)NC(=O)c3c4n(cccn4)nc3	5947
+CC(C)(C)OC(n1cc(CC#N)c2c1ccc(c2)C(=O)OC)=O	389
+FC(F)(F)c1ccc(cc1)-c2sc(c(C)n2)CCOc3ccc4c(CCC)c[nH]c4c3	126
+C(c1c[nH]c2c1ccc(N)c2)C#N	0
+CC(C)(C)OC(NCCc1c[nH]c2cc(ccc12)[N+](=O)[O-])=O	5948
+C(c1c[nH]c2ncccc12)n3nnc4c3nc(-c5cnn(C)c5)cn4	5949
+C1CNCCN1Cc2cccc(c2)-c3nc4cccc(C(=O)OC)c4o3	131
+c12c(nnc(c1c([N+]([O-])=O)ccc2)O)Cc3ccc(F)c(Br)c3	3538
+C1Cc2c(c(cc(Br)c2)C(=O)O)OCC1	1
+C(c1cc(C#N)cc(-c2onc(n2)-c3ncccc3)c1)N	1551
+C(c1cc(C#N)ccc1I)C#N	158
+C1CN(CCN1C(C)=O)c2cnc(NC(Cc3cc(c(-c4cc(F)ncc4)nc3)C)=O)cc2	142
+C(c1cc(C)c(-c2cc[n+](c(C)c2)[O-])nc1)C(=O)O	103
+c1c(cc([n+](c1)[O-])C)-c2c(cc(CC(=O)Nc3ccc(cn3)-c4nccnc4)cn2)C	142
+C(c1cc(C)c(CNC(N2CC(N(c3cccc(F)c23)CCO)=O)=O)cc1)(N4c5c(cccc5)CCCC4)=O	21
+C(c1cc(C)c(CNC(N2CC(N(c3cccc(F)c23)CCNC)=O)=O)cc1)(N4c5c(cccc5)CCCC4)=O	110
+C(c1cc(C)c(CNC(N2CC(=O)N(c3cccc(F)c23)CC=O)=O)cc1)(N4c5c(cccc5)CCCC4)=O	24
+c1(cc(cc(C)c1F)NC(C(OC)=O)CCCCOCc2cc(C)c(F)cc2)C	5950
+CC(C)(C)OC(c1ccc(c(c1)C)Br)=O	1933
+C[Si](C)(C)CNC(=O)c1cc(c(cc1)Br)C	5951
+c1(cc(C)c(cc1)C#N)C(N2c3ccccc3N(CCC2)CC)=O	610
+N#Cc1c(cc(C(Nc2ccccc2-c3ccco3)=O)cc1)C	67
+O=Cc1cc(C(=O)O)cc(C)c1O	1934
+c1(C)c(ccc(c1)C(=O)OC)O	128
+C1CN(CCC1S(=O)(=O)NC(Cc2cc(C)c(cc2)OC)=O)c3c(C#N)cc(C(=O)OCC)c(n3)C	344
+O=C(N(OC)C)Cc1cc(C)ccc1	164
+c12ccc(-c3cccc4n(C)nc(c34)N)cc1CCN2C(=O)Cc5cc(ccc5)C	429
+C1CC(CCN1OC)(C(OC)=O)NC(Cc2cc(C)ccc2C)=O	726
+O(c1c2cc(c(OC)cc2ncc1)OC)c3ccc(C)cc3C(=O)CC	155
+CC(C)(C)OCC1=C(C(c2cc(ccc2)CC(O)=O)C=3C(=O)OC(CC=3N1)c4c(cc(cc4C)C)C)C(=O)OCC	3539
+c1(nc(c(C(=O)OC)cc1Cl)-c2cc(F)ccc2)CNC(C)=O	206
+C(c1cc(Cl)c2nccn2c1-c3cc(F)ccc3)(=O)OC	1935
+Clc1cc(c(n2c1ncc2)-c3cc(F)ccc3)C(=O)O	1
+c1cc(ccc1Cl)-c2oc3c(c2)cc(cc3Cn4nc(C(=O)OCC)cc4C)Cl	1936
+FC(F)(F)CCC(c1cc(Cl)ccc1)C(O)=O	434
+Clc1cccc(Cc2nc(no2)C(=O)OCC)c1	3540
+c1cc(ccc1)Nc2nc(-c3c(nn4ccccc34)-c5cccc(c5)NC(Cc6cccc(c6)Cl)=O)ccn2	1294
+n1nc(-c2cnc(cc2)NC(=O)Cc3cc(F)c(-c4cc(F)ncc4)nc3)ccc1	142
+CCC(=O)N(Cc1cccc(I)c1)c2cccc(C#N)c2	1126
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(OCc5cc(I)ccc5)cc4C	22
+COc1cncnc1OCC#Cc2cccc(CC#N)c2	121
+C(c1cccc(NC(=O)c2n(nc(C)c2)C)c1)(=O)c3cc4NC(Cc4cc3)=O	187
+c1cc(COC2=C(Br)C(N(C(=C2)C)c3c(C)ccc(c3)C(NC)=O)=O)c(cc1F)CNC(OC)=O	14
+Nc1c(C(=O)OC)cc(N2C(=O)C=CC=C2)cc1	0
+C(OCC)(Cc1cc(OC)c(C)cc1)=O	27
+C(c1cc(c(Cl)cc1)O)C(=O)O	5
+C1CCCN1C(=O)Cc2ccc([N+](=O)[O-])c(c2)OC	10
+c1(I)cc(c(cc1)NCc2cc(OC)c(cc2F)OCc3ccc(nc3)OC)N	0
+FC(F)(F)c1ccc(cc1)CNCc2cc(ccc2Br)OC	370
+C(C#N)c1cc(OC)ccc1Br	163
+c1c2c(c(O)nc(Nc3ccn[nH]3)c2)ccc1OC	5952
+FC(F)(F)C(N=S(C)Cc1cc(nc(c1)OC)Nc2ncc(c(-c3c(OC)cc(cc3)F)c2)F)=O	5953
+C1CCC(C1)c2c(C(n3nc(c4ncccc34)-c5c(cc(cc5)C(O)=O)F)=O)c(Cl)ccc2	5954
+N#Cc1cc(c(cc1F)COc2cc(c(Cl)cc2)Cl)Br	22
+C(c1cc(c(cc1O)C(=O)O)F)CC	1
+CC(C)(C)c1cc(NC(c2ccc(c(-n3cc(-c4ccc(Cl)nc4)nn3)c2)C)=O)c(c(c1)NS(=O)(=O)C)OC	67
+C(c1cc(c(C)cc1)N2C(=O)c3cc(ccc3N=C2)O)(=O)O	5
+C1CCCCN1CCOc2cc3C(N(c4cc(C(O)=O)ccc4C)C=Nc3cc2)=O	53
+c1c2C(N(c3c(C)ccc(c3)C(=O)OC)C=Cc2ccc1O)=O	128
+C(OCC)(Cc1cc(c(Cl)cc1)O)=O	456
+C(c1cc(c(Nc2nc(-c3n4c(cccc4)nc3)c(Cl)cn2)cc1)OC)C(=O)O	55
+Nc1c(NC(C)=O)c(Br)c(O)c(C(=O)OC)c1	0
+c1cccn2c(-c3nc(ncc3Cl)Nc4c(cc(cc4)CC(N5CC(CC5)O)=O)OC)cnc12	10
+C1CCCCC1Cc2noc(C=Cc3ccc(OC)c(c3)OC)n2	3410
+C1CC1c2noc(C=Cc3cc(c(OC)cc3)OC)n2	5955
+C1CN(CCC1N(C2CC2)C(=O)c3ccc(-c4cnco4)c(c3)F)c5ncc(C)nc5	30
+c1(C=O)cc2c(cc1)cccc2Cc3c(cc(cc3)C(=O)OC)OC	1937
+c1cc2CCC(NC(OCC)=O)C(Cc3cc(c(cc3)Cl)Cl)c2cc1OC	101
+C(Br)C(=O)c1c(ccc(c1)C(=O)OC)O	47
+C(CNC(c1cc(c(cc1)O)F)=O)C(OCC)=O	14
+c1c(ccc(c1OC)O)CC(OC)=O	27
+c1c(cc(OC)c(Oc2c([N+](=O)[O-])c3c(nccc3)cc2)c1)CC(O)=O	415
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1OC)CC(OC)C(=O)O	154
+C(c1cc(c(cc1)O)OC)C(OC)C(=O)O	4
+c1cc(cc(c1OC)O)CC(OCC)=O	27
+C1CC(CCN1C)N(C(=O)Cc2ccc(OC)c(O)c2)Cc3ccc(cc3)C	10
+CC(C)CCN(CCC(C)C)C(=O)c1ccc([N+]([O-])=O)c(F)c1	30
+CCCc1c(O)c(c(C(=O)O)c(F)c1)[N+](=O)[O-]	31
+c1cnccc1-c2c(-c3ccc(cc3)OCc4nc5ccccc5c(Cl)c4)nn(c2)C	1538
+C(O)c1cc(cc(c1CBr)Br)F	98
+c1nc(ncc1C(=O)NCc2cc(cc(c2)C(=O)OC)C)N3CC(Oc4ccccc4OCC)CCC3	484
+CCc1cc(cc(CC)c1-c2cc(C=O)ccc2)OCCCS(=O)(=O)C	267
+C(C)c1cc(cc(CC)c1-c2cc(COc3cc4OCC(CC(OC)=O)c4cc3)ccc2)OCCCS(=O)(=O)C	20
+c1(cc(CC#N)cc(c1)CO)I	5956
+Clc1cc(cc(c1)CC(OC)=O)Br	27
+c1cc(ccc1CN2C(c3c(cc(Br)cc3Cl)C2)=O)CC	854
+c1cc(ccc1-c2oc3c(cc(F)cc3C(=O)OC)c2)CN(C)C	1936
+C(c1cc(cc(c1O)Br)Br)C#N	2490
+c1c(c(O)c(Br)cc1Br)CC(=O)O	508
+C(OCC)(Cc1cc(ccc1)Br)=O	939
+C(OCC)(Cc1cc(ccc1)Br)=O	27
+c1(cccc(c1)CC(OC)=O)Br	27
+c1(cccc(c1)CC(NNC=2N(CCCCC)c3[nH]cnc3C(N=2)=O)=O)Br	355
+c1c(NC(=O)Cc2cc(ccc2)Br)c3c(CCC(O)C3)cc1	33
+c1cc(ccc1CCO)OCCOCc2cc(ccc2)C#N	8
+C[Si](C)(C)CCOCn1nc(c2c1cc(cc2)Br)C(Nc3cn(nc3)Cc4cccc(c4)C#N)=O	2491
+C(c1cc(ccc1)C#N)n2ncc(N)c2	209
+CC(C)(C)[Si](C)(C)OCCN(C(=O)Cc1cc(C(=O)OC)ccc1)c2ccccc2	429
+CC(C)NC(Cc1cc(O)ccc1)=O	2458
+C(OCC)(Cc1cc(ccc1)O)=O	27
+c1c(cccc1O)CC(OC)=O	27
+FC(F)(F)c1ccc(Oc2cc(CC(O)=O)ccc2)c(c1)C=O	46
+c1c(cccc1O)CC(OC)=O	5957
+C(Nc1ccc(Cl)c(c1)Cl)(=O)Cc2cccc(c2)O	33
+c1csc(C(NCC(C(=O)OC)NC(=O)c2ccc(C(=O)NCc3cc(O)ccc3)cc2Cl)=O)c1	259
+C1COCCN1C2=NN(C(=O)c3ccccc23)NC(Cc4cc(ccc4)OC)=O	2487
+CC(C)(CO)C(=O)NCc1cc(ccc1)OC	9
+CC(C)(C)OC(NC(C(O)CNCc1cc(ccc1)OC)Cc2cc(F)cc(F)c2)=O	122
+CC1(C)C(C)(C)OB(O1)c2sc(cc2)C(=O)NCc3cccc(c3)OC	227
+C(c1cc(ccc1)OC)Nc2nc(Cl)ncc2Cl	40
+C=1(N(Cc2cc(ccc2)OC)C(=O)C=C(O)C=1)C	5958
+c1cc(ccc1C(=O)NCc2cc(ccc2)OC)C(=O)C	14
+c1c(cc(cc1)Nc2ncc(c(n2)NCc3cc(ccc3)OC)Cl)CCCO	55
+C(c1cc(ccc1)OC)OCCBr	552
+c1(Cl)cc2c(cc1O)OC=C(c3cc(ccc3)OCCCCC#N)C2=O	3535
+CC(C)(C#N)c1cc(F)ccc1C	2451
+c1ccccc1COc2cc(c(cc2)O)C(=O)OC	22
+c1c(ccc([N+]([O-])=O)c1COC(C)=O)C(=O)OC	283
+c1cc([N+]([O-])=O)c(cc1F)CSC	639
+CC(C)(C)Nc1nc(Nc2ncnc(c2)C=C)cc3C=CN(C(=O)c13)CCO	346
+c1cc(CC2c3cc(C(=O)O)[nH]c3CC2)c(C)cc1F	1
+CC(C)(C)OC(=O)n1c(C(=O)OC)cc2C(=O)CCc12	1552
+C(c1cc2c(CCC2c3cc(ccc3)Br)[nH]1)(=O)OC	3542
+C(c1cc2C(Cc3ccc(cc3C)F)CCc2[nH]1)(=O)OC	5959
+c1cc(ccc1Cl)C2CCc3[nH]c(cc23)C(OC)=O	3542
+C(c1cc2c(CCC2c3cc(ccc3)C#N)[nH]1)(=O)OC	160
+c1c(C#N)cc(cc1)C2c3cc(C(=O)O)[nH]c3CC2	1
+c1c(cc2c(OC(C)C(=O)N2)c1)CO	49
+c12OCOc1ccc(COc3c(C(=O)OC)c(C(OC)=O)ccc3)c2	20
+C(c1cc2c(N)cccc2[nH]1)(=O)OC	0
+c1(cc2c(cc1)OCCO2)CCl	109
+c12ccc(cc1n[nH]c2)C(NC)=O	14
+c1(CC#N)ccc2c(c1)ccc(F)c2	2490
+c1c2cc[nH]c2cc(c1)C(N(OC)C)=O	280
+c1c(C=O)ccc2ccc(C#N)cc12	2492
+c1(cc2c(cc1)cccc2[N+]([O-])=O)C(=O)N	169
+n1n(CCCC)c2ccc(cc2n1)CO	49
+c1(cc2c(occ2CCNC(C)=O)cc1)C(Cl)=O	82
+CC(C)(c1cc(C(Nc2cc(c(cc2)C)NC(c3cc4ncc(Cl)nc4s3)=O)=O)ccc1)C#N	864
+c1(CC#N)ccc2cc(OC)ccc2c1	163
+O=S(=O)(C)NCCc1ccc2cc(ccc2c1)OC	111
+C(c1cc2ccccc2cc1)(=O)Nc3ccc(CBr)cn3	223
+c12c(cccc1)c(CC(=O)OCC)nn2Cc3ccc(nc3)NC(c4cc5ccccc5cc4)=O	5960
+c12cc(CC(O)=O)n(c1cccc2)C	3
+n1c2cc(ccc2n(c1C)CC)C(=O)OC	47
+n1c(C)sc2ccc(cc12)C(=O)OC	272
+c1cc(ncc1Br)C(NCc2ccc(-c3cc(F)ncc3)nc2)=O	81
+O=S(=O)(C)NCc1ccc(nc1)-c2n(nc(C(N(CC)C)=O)c2)-c3ccc(OC)nn3	111
+c1(ccccc1COc2cc(C)c3c(c2)n(c(C)n3)Cc4c(cc(-c5occn5)cc4)Cl)C(OC)=O	505
+c1ccccc1C(=O)c2cc(Cl)c(Br)cc2	358
+O(Cc1ccc(Br)c2oc(nc12)C)C	382
+CC(C)(C)OC(NCc1cnc(cc1)Br)=O	37
+c1(C=O)cc(Cl)c(CBr)cc1	1295
+CC(C)(C)OC(NCc1ccc(c(Cl)c1)C(=O)OC)=O	37
+c1cc(C(=O)OC)c([N+]([O-])=O)cc1CO	49
+O=S(=O)(C)OCCc1ccc(cn1)C(C)OCOC	7
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1ncc(C=CC(=O)NCCCCc2nc(NCC)c(C(NC)=O)cc2)cc1	711
+C1CC1NC(=O)c2cc(C=3C(=O)N(C)c4nc(ncc4C=3)SC)c(C)cc2	14
+c1(C=O)cc(I)c(C)cc1	5961
+C1CN(CCN1C)Cc2cc3nc(-c4cc(I)c(C)cc4)[nH]c3cc2	1127
+FC(F)(F)c1cccc(c1)NC(=O)c2cc(I)c(cc2)C	67
+FC(F)(F)c1c(-n2cnc(c2)C)ccc(c1)NC(=O)c3cc(I)c(cc3)C	67
+C(Cc1ccc(C)c(c1)F)(N)=O	83
+c1(ccc(C)c(c1)F)CN2C(=O)C(CC2)Br	1553
+Nc1c(C)ccc(C(=O)OC)c1C	0
+c1cc(ccc1Cl)C(=O)c2ccc(cc2Cl)C	222
+c1cc(ccc1)C(=O)NC(Nc2cc(ccc2CCC)C)=S	865
+C(c1ccc(C)nc1)NC(=O)c2cc(cc(c2)-c3ccc(cn3)C)Br	14
+N(Cc1cnc(cc1)C)C(c2nnn(CC(CCc3cc4c(nn3)[nH]c(-c5c(cccc5)F)c4)F)c2)=O	312
+c1(ccc(C)cn1)-c2cc(cc(-c3ccccc3F)c2)C(=O)NCc4cnc(cc4)C	11
+CC(C)C(=O)NNc1c(C(OC)=O)ccc(C)n1	1296
+Nc1cc(C(=O)O)ccc1CC	0
+C(c1ccc(nc1Cl)CNC=O)(=O)OC	707
+[N-]=[N+]=NCc1ccc(C(=O)OC)c(Cl)n1	5962
+C1CC(CCO1)Nc2c3c(n(CC)nc3)nc(CC)c2CNC(=O)CCC(=O)NCc4cc(Br)c(cc4)Cl	9
+C(c1ccc(Cl)c(c1)C=O)NC(CC)=O	39
+c1([N+]([O-])=O)cc(C(=O)O)ccc1NCCCC	205
+CC(C)(C)OC(NCc1cc(C(=O)O)c(cc1)Cl)=O	37
+C1CC1NCc2c(ccc(c2)CNC(=O)CC)Cl	42
+CC(C)C(=O)NNc1nc(ccc1C(=O)OC)Cl	1296
+O1C(=Cc2ccc(F)c(Br)c2)c3c(C1=O)cccc3	5963
+C1CC(CCO1)Nc2c(c(nc3c2cnn3CC)CC)CNC(=O)CC(NCc4cc(Br)c(cc4)F)=O	3543
+c1c(CO)cc(Cl)c(F)c1	611
+c1(c(Cl)c(F)ccc1C(=O)O)C	1297
+C(=O)(OC)c1cc(Cl)c(OCc2cc(F)c(cc2)F)cc1	22
+c1cc(ccc1)OCC2=CN(C(C=C2)=O)Cc3cc(F)c(cc3)F	5964
+Nc1cc(C)c(CCC(OC)=O)cc1Br	38
+Nc1cc(c(cc1)CCN)F	51
+C(c1ccc(c2c1cccc2)-n3ccnc3SCC(OCC)=O)#N	5965
+c1(cc(C(=O)OC)c(O)cc1NC(C)=O)[N+]([O-])=O	77
+CC(C)(C)OC(=O)NCc1cc(C(O)=O)c(O)cc1	37
+c1cc(O)c(cc1CCO)F	21
+C1CN(CCC1Oc2ncnc(c2C)Oc3c(F)cc(cc3)CC(=O)O)C(=O)OC(C)C	185
+c1cc(O)c(cc1CC(OC)=O)F	27
+c1(ccc(OC(C)=O)cc1Cl)Cn2c3nc(cc(C)c3nc2C)C(=O)OC	1484
+c1cc(cc(Br)c1OC)CC(OCC)=O	27
+c1cc(cc(Br)c1OC)CC(OC)=O	27
+c12ccc(cc1CCN(C2)Cc3ccc(OCC)cc3C)C(C)NC(C)=O	131
+c1ccccc1CN(C(C)COc2cc(c(cc2)O)C(=O)N)CC(O)COc3ccc(c(c3)O)C(=O)OC	170
+S(C)c1ccc(CC(OC)=O)cc1Cl	27
+C1CN(CCO1)C(=O)Cc2ccc([N+]([O-])=O)c(F)c2	10
+Cc1ccccc1-c2c(C(OC)=O)ccc([N+]([O-])=O)c2	11
+c1([N+]([O-])=O)cc(Cl)c(cc1)C(=O)O	1
+c1ccccc1-c2cc([N+](=O)[O-])ccc2C(OC)=O	667
+CC(C)(C)OC(=O)N1CCN(CC1C)Cc2c(cc([N+](=O)[O-])cc2)Cl	131
+c1(cc(nc(SCc2ccc([N+]([O-])=O)cc2Cl)n1)O)C	3291
+c1ccccc1COc2cc(ccc2C(=O)OC)[N+]([O-])=O	22
+[N-]=[N+]=NCc1c(ccc(CC(=O)O)c1)O	1298
+c1cc2c(cc1OC)C(Cc3cc(c(cc3)Cl)Cl)C(CC2)=O	5966
+c1cc(c(cc1Cn2c3c(c(c(cc3)OC)OC(=O)C)cc2C(OC)=O)Cl)Cl	190
+c1(Cl)c(ccc(CC(OC)=O)c1)O	27
+c1ccccc1NC(=O)c2cc(c([N+]([O-])=O)cc2)Cl	67
+c1ccccc1SCc2ccc(Br)c(OC)c2C(=O)OC	1128
+c1(C(Cl)=O)ccc(c([N+]([O-])=O)c1)O	82
+c1cc(c([N+]([O-])=O)cc1CC(OC)=O)O	27
+c1cc(ccc1)C(c2ccc(Cl)cc2C)NC(=O)Cc3cc(c(O)cc3)[N+]([O-])=O	9
+c1(c(cc(cc1)-c2scc(CC)n2)CCC)OCCCOc3ccc4c(c3)ccn4CC(=O)OC	5967
+Cc1nc(N)nc(NCCCCC)c1Cc2ccc(cc2F)CC(OC)=O	27
+C(C)OC(=O)c1ccc(c(c1)O)C	47
+C(C)OC(=O)c1ccc(c(c1)O)F	47
+c1(sc2CCCCc2n1)-c3ccc(c(OC)c3)OCCCOc4cc5CCC(CC(=O)OCC)c5cc4	5968
+c1cc(ccc1C#N)OCCCCOc2c(C)c(c(cc2)C(CCC)=O)O	8
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(OCC)=O)#N	984
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(NCC(=O)O)=O)#N	3
+C(c1ccc(c2ccccc12)-n3c(SCC(=O)O)ncc3Br)#N	3
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(NCC(=O)OCC)=O)#N	188
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(NCCC(=O)OCC)=O)#N	9
+c1c(Br)c(CNC(C)CO)ccc1C(=O)OC	370
+CC(C)(C)CCN1CCN(CC1)C(=O)CCc2ccc(cc2C)C(OC)=O	10
+[N-]=[N+]=NCc1cc(C)c(CCC(OC)=O)cc1	1298
+C(c1ccc(cc1C)CCl)CC(OC)=O	109
+C1CC(=O)c2cc(cc(C)c12)F	214
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CCOc3ccc(CCC(OC)=O)c(C)c3	267
+c1cc(ccc1)CN2CCC(Oc3cccc(NC(c4c(cc(cc4)F)Cl)=O)n3)CC2(C)C	330
+C1CC(=O)c2cc(cc(Cl)c12)F	94
+CC1(C)CON(Cc2ccc(NC(OC)=O)cc2Cl)C1=O	5969
+FC(F)(F)CCC(N(S(=O)(=O)c1ccc(cc1)Cl)Cc2ccc(C#N)cc2F)C(N)=O	3544
+[N-]=[N+]=NCc1ccc(cc1F)C(=O)OC	545
+C(c1ccc(OCC2CO2)cc1O)(=O)OC	72
+c1(c(OC)c(ccc1)CCCCCCOc2ccc(C(OC)=O)c(O)c2)OC	8
+c1(c(C(=O)O)cnc2c1cc(F)c(-c3ccco3)n2)O	5970
+C(c1ccc(cc1OC)OC)N2C=C(C(c3c2nc(-c4occc4)c(c3)F)=O)C(=O)O	108
+c1cc(ccc1NC(=O)Cc2cnc(cc2)Cl)C	33
+C1CCCCC1NCc2cnc(cc2)Cl	87
+C(c1ccc(-c2cc(F)ncc2)nc1)N	1299
+c12n(c(Cl)c(C(=O)OC)cc1)cnc2	1905
+Oc1nc2nccnc2c(c1-c3ccc(nc3Cl)Cl)O	5971
+FC(F)(F)Oc1ccc(cc1)C=Cc2occ(n2)COc3ccc(CCCCn4ccnn4)nn3	485
+C(c1ccc2CCCN(c2c1)CCOC)n3ncc(C(=O)O)c3	6
+CC(C)(C)OC(N(Cc1cc2c(OCO2)cc1)CCCBr)=O	23
+c1cc(ccc1)C(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)CN4CC(CC4)O	9
+c1c(C=O)cc2cc(c(OC)c(c2c1)OC)OC	39
+Clc1ccc(c(Cl)c1)CCNC(c2ccc3c(c2)ccn3-c4ccc(CC(OC)=O)cc4C#N)=O	14
+c1cc(ccc1OC)C(=O)NNC(Cc2cc3c(cc(C(OCC)=O)s3)cc2)=O	708
+C(c1ccc2c(cc(C)n2C)c1)n3ncc(C(=O)O)c3	6
+c12ccc(nc1ccc(c2)C(=O)OC)C	47
+C1CN(CCN1Cc2cc(C(NCc3ccc4c(nccc4c3)N)=O)cnc2)Cc5c(cccc5)F	56
+c1cc(ccc1C(=O)c2cc(cnc2)C(=O)NCc3ccc4c(ccnc4N)c3)Cn5ncc(c5)C	56
+CC(C)(C)c1ccc(cc1)-c2oc3c(N4CCN(CC4)Cc5ccc6nccnc6c5)cccc3n2	131
+C(Cc1cc2nccnc2cc1)#N	163
+c1ccccc1NC=2C(N(C=CC=2)C(C(NCc3ccc4c(noc4c3)N)=O)OCC)=O	271
+C1CCCC1CNC(=O)Cc2cc3[nH]ccc3cc2	9
+c12c(C(=O)N(C1=O)CCON=C(c3cnc4c(n3)n(Cc5ccc6c(cccn6)c5)nn4)C)cccc2	332
+c1cc(ccc1)C(NC(Cc2cc3c(oc(Cc4cccnc4C)c3)cc2)=O)c5ccc(Cl)cc5C	9
+c1(ccc[nH]1)C(=O)NC	1938
+C1CC1NC(c2cccc(-c3csc4cnc(Cl)nc34)c2)=O	14
+c1cc(ccc1NC(C2CN(CC(C2)N=[N+]=[N-])C(=O)c3cc(-c4occc4)ccc3)=O)Cl	30
+c1cc(ccc1NC(=O)C2CN(C(=O)c3cccc(-c4occc4)c3)CCN2C(=O)OCc5ccccc5)Cl	30
+c1ccc(cc1C#N)C(=O)NN	296
+c1c(cc(C)cc1)C(NC)=O	14
+C1CN(CCO1)c2cc(c3nc(C)n(c3c2)Cc4c(C)c(C)ccc4)Br	505
+c1cc(ccc1)COc2c(cccc2C(OC)=O)C	22
+O=C(c1cccc(-c2cc(-c3ccc(O)c(C)c3)nc(O)n2)c1)O	5972
+C1CN(CCC1N(C(C)C)Cc2cccc(CC(=O)OC)c2)c3sc4c(ccc(c4)Cl)n3	131
+C1CCC(C1)CCC(Nc2c(CC)ccc([N+](=O)[O-])c2CC)=O	31
+C(c1cccc(Cn2c3c(nc2)c(nc(NCCCC)n3)N)c1)P(OCC)(=O)C	1484
+C(c1cccc(Cl)c1CBr)(=O)OC	29
+c1c(c(c(Cl)cc1)C)Cn2c(nc3c(cc([N+]([O-])=O)cc23)Br)CF	505
+C(c1c(CC#N)c(Cl)ccc1)(=O)OC	163
+Nc1c(Cl)cccc1C(=O)OC	0
+C1CN(CCN1C(c2cccs2)=O)C3=C(C(=O)N(Cc4cc(ccc4)F)c5ncc(cc35)F)C#N	5973
+C1NCC2C(C)c3cc(Cl)c(cc3C12)OCc4cccc(F)c4	22
+CC(C)(C)OC(=O)N1CCC(CC1)Sc2ccc(cc2)OCc3cccc(F)c3	22
+CC(C)(C)OC(=O)NC(C1CC(C(=O)O1)Cc2cc(ccc2)F)Cc3ccccc3	2494
+CC(C)c1[nH]nc(c1Cc2ccccc2OCc3cc(F)ccc3)OC4OC(C(C(C4O)O)O)CO	22
+C[Si](C)(C)c1c2n(c(C(=O)OCC)cc2ccc1)Cc3cc(F)ccc3	190
+N1(C(=O)N(C)Cc2c(Br)cccc12)Cc3cccc(F)c3	1939
+c1(N2C(CC(C(OC)=O)C2)=O)ccc(c(C)c1)OCc3cccc(F)c3	22
+c1c(c(F)cc([N+]([O-])=O)c1)OCc2cccc(F)c2	22
+O(c1c(C(=O)OC)c(C(OC)=O)ccc1)Cc2cccc(F)c2	22
+c1cc(ccc1S(=O)(=O)C)C(Cc2cccc(F)c2)C(=O)OC	3546
+c1cc(ccc1)CNC(c2c(nc(N3CCN(Cc4cc(F)ccc4)C3=O)s2)C)=O	1083
+CC(C)(C)OC(N1CCC(CC1)(C#N)c2cc(ccc2)F)=O	3297
+N1(Cc2c(ccc(-c3n(C)ncc3Cl)c2)C1=O)C(Cc4cccc(F)c4)C=O	24
+C(c1cccc(F)c1)C(CO)N2Cc3c(ccc(-c4n(C)ncc4Cl)c3)C2=O	5974
+C1CN(CCC1NCCCc2cc(F)ccc2)CC3N4C(=O)C=NC=5C=CC(=O)N(C4=5)C3	110
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ncc(Cl)c(-c3nc(ccc3)NCc4cc(F)ccc4)c2	182
+FC(F)(F)c1cc2c(c(O)c(c(SCC)n2)C(NCc3cc(ccc3)F)=O)cc1	1556
+COC(OC)C(=O)NCc1cccc(F)c1	248
+O=C(OCC)C(=Cc1cc(c(cc1)-n2cc(nc2)C)OC)CCCCNCc3cccc(F)c3	110
+C(c1cccc(F)c1)N=C=S	985
+C(c1cccc(F)c1)Nc2cc(C#N)cc(Cl)n2	70
+C(c1cccc(F)c1)Nc2nc(Cl)cnc2	464
+C1CN(CCN1C)CC=2N(Cc3cc(F)ccc3)C(=S)NN=2	3547
+C(c1cccc(F)c1)Nc2cc(cc(-c3cc(ncc3Cl)F)n2)C#N	1299
+C1CC(CCC1Nc2cc(c(Cl)cn2)-c3cc(C#N)cc(NCc4cccc(c4)F)n3)N	182
+C1CC(CCC1N)Nc2cc(ccn2)-c3nc(cnc3)NCc4cccc(c4)F	182
+C(c1cccc(F)c1)Nc2nc(-c3cc(F)ncc3)cnc2	1940
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3	142
+c1cc(Oc2cc(ccc2)CN3C(c4c(cccc4C3)I)=O)c(OC)cc1	854
+c1cc(ccc1OC)CN2C(c3c(cccc3C2)I)=O	854
+C(OCC)(Cc1cccc(N)c1)=O	27
+C(c1cccc(c1)NC(OCC)=O)C(=O)O	90
+c1c(N)cc(cc1)CC(OC)=O	27
+O=C1c2c(cccc2)C(=O)N1c3cc(CC(O)=O)ccc3	668
+C(c1cccc(NC(=O)c2n(nc(C)c2)C)c1)(=O)c3ccc4c(c3)NC(=O)C4C=O	1557
+c1cc(ccc1CCN(C)C)NC=C2C(Nc3c2ccc(C(=O)c4cc(NC(=O)c5cc(nn5C)C)ccc4)c3)=O	1300
+c1cc(ccc1NC(C)CN(C)C)NC=C2C(=O)Nc3cc(ccc23)C(=O)c4cc(ccc4)NC(c5cc(C)nn5C)=O	1300
+c1cc(ccc1-n2ncc3cc(ccc23)OC(c4cccc(c4)OC)C(C)N)Cl	669
+c1cc(ccc1F)-n2ncc3c2cc(C)c(c3)OC(C(N)C)c4cc(ccc4)OC	669
+C(c1cccc(Sc2c([nH]c3cc(Cl)ccc23)C)c1)C(=O)O	1502
+Clc1ccc2c(Sc3cccc(c3)CC(OCC)=O)c([nH]c2c1)C	27
+CC(C)(C)OC(NCc1cccc([N+](=O)[O-])c1)=O	37
+c1cc(ccc1)-c2c(F)cc(OC)c(c2)C(=O)NCc3cc(ccc3)[N+](=O)[O-]	14
+C(c1cccc([N+]([O-])=O)c1)n2ncc3cnc(nc23)Nc4cnn(c4)C	486
+C(c1cccc(N)c1)n2ncc3cnc(nc23)Nc4cnn(c4)C	0
+c1([N+]([O-])=O)cccc(C(=O)OC)c1CBr	29
+Nc1c(c(C(=O)OC)ccc1)F	0
+Nc1cccc(C(=O)OC)c1O	0
+c1(C(NCC)=O)cccc(C(=O)OC)c1	14
+c1c(cc(cc1)CCl)C(NC)=O	14
+CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCCNC(=O)c3cccc(F)c3)C4CCC4	14
+[nH]1c2c(c(NC(c3cccc(c3)F)=O)c1)c(F)c(cn2)Br	487
+CC(C)(C)OC(c1cc(ccc1)I)=O	1075
+c1c(C(NC(C)CO)=O)cc(I)cc1	14
+c1ccccc1COC(=O)c2cccc(I)c2	470
+C(OC(=O)Nc1cccc(CCO)c1)C	21
+C1C2CC3CC(CC1(C3)CO)C2NC(c4cccc(OCCc5ccccn5)c4)=O	14
+C(C)OC(=O)c1cccc(c1)SCC(=O)C	47
+c1(cccc(c1Br)C#N)COC(C)=O	283
+CC(C)(C)c1ccc(cc1)N2Cc3c(C2=O)c(ccc3)Br	5975
+c1nc(ncc1)-c2cccc(c2)CCN3C(=O)c4c(cccc4C3)Br	854
+FC(F)Oc1ccc(C(N2Cc3c(C2=O)c(ccc3)[N+](=O)[O-])CC(=O)OC)cc1OCC	5976
+Nc1c(C(=O)OC)cccc1O	0
+C(Cc1cccc(n1)N)SC(=O)C	2495
+C(c1cccc2c1c(C)ccc2)n3c(nc4ccccc34)SCCCC(=O)O	3
+c1c(c2c(cc1)ccn2C)CC(N)=O	645
+c1c2c(cccc2ccc1F)Cn3c4ccc(cc4c(CC(OCC)=O)c3C(OCC)=O)F	190
+c1(ccccc1-c2[nH]nc(N)c2)Br	1941
+CC(C)CC(Cc1c(cccc1)Br)C(O)=O	1917
+C(C(=O)Cl)c1ccccc1CN=[N+]=[N-]	130
+c1(-c2cn(CCc3ccccc3Cl)cn2)nccc(C(=O)N)c1	541
+C(C(C)c1ccccc1F)(=O)OC	643
+C1C2(CC1(C2)NC(C)=O)OC(c3c(cccc3)OC(=O)C)=O	279
+c1(C(Nc2cc(ccc2)F)=O)ccccc1OC(=O)C	50
+O=S(=O)(c1ccccc1CCl)CC	593
+CC(C)C(N1CCN(CC1)c2ccc(NC(c3ncccc3)=O)cc2Cl)=O	772
+c1(nsc2ccc([N+]([O-])=O)cc12)NCCNC(=O)c3ccccn3	1938
+O=S(=O)(c1ccc(cc1)NC(c2ccccn2)=O)Nc3c(cccc3)Cl	772
+C1CC(CCC1NC(c2cccnc2)=O)=Cc3cc([N+]([O-])=O)ccc3	1281
+C1COCCN1Cc2c(nc(NC(=O)c3cnccc3)s2)-c4occc4	1931
+CC(C)(C#N)c1cccc(C(Nc2cc(ccc2)N(C)c3ncc4c(sc(NC(c5cnccc5)=O)n4)n3)=O)c1	1931
+c1c(C(=O)Nc2c(C(=O)N)cc(cc2C)Br)cncc1	971
+c1ccccc1CNc2nccc(-c3c(-c4cccc(C)c4)nc(NC(c5cnccc5)=O)s3)c2	1931
+c12c(c(C(=O)C)c(O)nc1nccc2)O	5977
+c1(cccnc1NC(c2sc(cc2)Cl)=O)C(=O)O	1
+C1CN(CCN1C(=O)c2occc2)C=3c4cc(ccc4N(C)C(=O)C=3C#N)F	2496
+C(OCC)(Cc1csc(C(=O)c2occc2)c1)=O	3549
+FC(F)(F)C(c1c(cccc1)NC(c2occc2)=O)O	1129
+Clc1ccc(cc1C(=O)O)NC(=O)c2occc2	1129
+c1cc(ccc1)C(C(NC(=O)c2occc2)C)Oc3cc4cnn(c4cc3)-c5ccc(cc5)C(OC)=O	5978
+c1cc(ccc1-c2sc(cc2C)C(=O)c3occc3)F	3549
+c1cc(ccc1S(=O)(=O)C)-c2cc3c(N(C(=O)C)C(CN3C(c4occc4)=O)C)cn2	5979
+c1cc(ccc1F)CN2c3ccc(cc3C(=C(C#N)C2=O)N4CCN(CC4)C(=O)c5occc5)C	2496
+c1ccccc1CN2c3ccc(cc3C(=C(C2=O)C#N)N4CCN(CC4)C(=O)c5occc5)Cl	2496
+c1cc(ccc1S(=O)(=O)ON=C(C#N)c2cccs2)OC(=O)C	5980
+C1CC(CCN1CCc2c(ccc(NC(c3cccs3)=O)c2)C)c4c5cccc(Cl)c5[nH]c4	864
+c1(ccc(C(c2cccs2)=O)c3CCCCc13)OCC(OC)=O	5981
+Clc1ccc2N(C(=O)C)C(=O)C(C(c3sccc3)=O)c2c1	5982
+c1ccc(NC(c2sccc2)=O)cc1C#C	864
+c1cc(ccc1)CNc2nc(NC(c3cccs3)=O)c(-c4nnn[nH]4)cn2	5983
+c1cnccc1OCCCNC(=O)c2cccs2	1256
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCN(C(=O)c4cc(ncc4)-n5ccnc5)C3)C(N)=N1	30
+C1CN(CCO1)CCOc2ccc(c3c2cccc3)NC(c4cc(ncc4)Cl)=O	50
+c1(nccc(c1)C(=O)OC)N2NC=C(c3cnccc3)C2=O	47
+c1ccccc1CNC(c2cc(N3NC=C(C3=O)c4cccnc4)ncc2)=O	14
+CCCc1c(N)c(ncc1)C(=O)N	314
+FC(F)(F)c1cnc(c(c1)NC(=O)c2ccncc2Cl)O	660
+C1CCCC1CC(Nc2cc3c(cc2)n(cc3Cc4c(cc(C(=O)O)cc4)OC)C(=O)C)=O	33
+C1CCCC1OC(=O)Nc2cc3c(cn(C)c3cc2)Cc4ccc(C(=O)OC)cc4OC	90
+C(c1cn(c2ccc(N)cc12)C(=O)C)c3c(cc(C(=O)O)cc3)OC	0
+C(c1cn(c2ccc(N)cc12)C)c3c(cc(cc3)C(=O)OC)OC	0
+CC(C)c1n(nnn1)-c2cc(C(=O)NCc3ncc(nc3)C)cc(-c4ccc(cn4)Cl)c2	14
+Cc1cccc2c1ncc(C(=O)CCC)c2Nc3cc(OC)ccc3OC	179
+Cc1cccc2c1ncc(C(=O)CCC)c2Nc3ccccc3OC	179
+C(CCC)(c1c(c2cccc(C(=O)C)c2nc1)Nc3ccc(cc3C)O)=O	179
+C(CCC)(c1c(c2cccc(c2nc1)O)Nc3ccc(cc3C)F)=O	179
+C(c1cnc2c(cccc2c1Cl)O)(CCC)=O	390
+c1c(nc(cc1)NC(=O)Cc2cncc(-c3cc4CCC(N(c4cc3)C)=O)c2)C	142
+C(c1cncc(-c2cc3CCC(N(c3cc2)C)=O)c1)C(=O)O	156
+CN(C)C(=O)Cc1cc(Br)cnc1	10
+n1cc(cc(c1)CC(OC)=O)Br	167
+c1ccccc1Nc2nc(ccc2C(NC)=O)C#CCCNC(=O)NCc3cccnc3	2348
+C(c1cnccc1)n2c(nnn2)-c3c(Cl)c(Br)ccc3	2497
+C(c1c(scc1)Br)C(CCCC)CC	407
+Clc1cccnc1-n2cc(Br)cc2C=O	986
+n1(c(CNC)cc2ccccc12)C	729
+C(c1nc2c(C)cc(cc2n1CCO)Br)CC	44
+FC(F)(F)C(C)(C)c1c(cc(cc1F)C2CC2C(=O)NCC(=O)c3nccn3CC)F	612
+c1(nc(C)ccc1Cl)C(=O)OC	128
+O=S(=O)(OCCn1c2c(nc1CCC)c(C)cc(c2)Br)C	7
+CONCCCCn1c(CCC)nc2c(N)nc3cccnc3c12	2498
+CC(C)=Nn1c2c3ccc(Br)cc3ncc2nc1CCC	5984
+C(c1nc2c(N)nc3cccnc3c2n1CCCC=NOC)CC	461
+C(c1nc2cnc3cccnc3c2n1CCCC=NOC)CC	410
+C(c1ncccc1)(O)c2cc(c(N)cc2)OCC	0
+c1c(Cc2cn3c(cccc3)c2C(=O)OC)c(c(F)cc1)C	5985
+c1c[n+]([O-])c(cc1)CCC	341
+C(c1ncccc1)CCCCCl	723
+c1cc(ccc1)CN2CCC(CC2)Nc3nc(ncc3Br)NCc4ccccn4	96
+CC(C)(C)NS(=O)(=O)c1cc(cnc1)-c2nnc(c3c2cccc3-c4ccccc4)NCc5ccccn5	232
+CC(C)(C)OC(NCc1ccccn1)=O	37
+Cc1c(-c2cc3c(cc2OC)c(c([N+]([O-])=O)cn3)NCc4ncccc4)c(C)on1	105
+Cc1nc(nc(O)c1C)NCc2ncccc2	785
+FC(F)(F)c1cc(nc(NCc2ncccc2)c1)Cl	70
+C(OC(OCC)c1ncc(C(=O)NCc2ccccn2)c(C)n1)C	5986
+O=C(OCC)C(=O)NCc1ncccc1	2499
+C(NCc1c(cccc1)OC)c2ccccn2	3550
+C(Nc1c2c(Br)csc2ccn1)c3ncccc3	2500
+c1([N+]([O-])=O)ccc(nc1)NCc2ncccc2	70
+c1(ccc(OC)cc1-c2nc3c(cccc3CNCc4ncccc4)o2)OCOC	5987
+c1c2CCCC(N(C)Cc3nc4c(cccc4)n3CC(=O)NCc5ncccc5)c2ncc1	9
+c1ccccc1-c2c(c(on2)C)COc3ccc(cn3)C(=O)NCc4ccccn4	56
+c1cc(ccc1)-c2c3c(ccc2)nc(Cl)nc3NCc4ncccc4	40
+c1ccccc1-n2ncc3c2ncnc3NN=Cc4ccc(cc4)C(NCc5ncccc5)=O	14
+c1cc(ccc1F)CN2C(N(CC2)c3nc(c(C(=O)NCc4ccccn4)s3)C)=O	454
+c1ccccc1-c2c3c(nc(nc3NCc4ncccc4)Cl)sc2	1108
+C(c1nnc2N(CCCCC)c3nc([nH]c3C(=O)n12)Br)c4cc(ccc4)Br	866
+C1CN(CCO1)C(=O)c2ccc(-c3nc(ncc3)SC)s2	867
+FC(F)(F)C(CC(=O)c1sc(c2c1CCC2)C(OC)=O)(c3cc(Cl)c(c(c3)Cl)F)O	3552
+CC(C)(C)OC(CCNC(c1ccc(Cl)s1)=O)=O	227
+s1c(C(=O)OC)ccc1Cl	1532
+c1cc(-n2cnc(CNC(c3sc(cc3)Cl)=O)c2)ncc1Br	227
+c1cc(ccc1I)-n2cnc(CNC(c3sc(cc3)Cl)=O)c2	227
+C(C)C(CC)Nc1ccc(cc1NC(Cc2ccc(Cl)s2)=O)C(OC)=O	33
+CN(C)C=CC(c1c(c2cc(ccc2s1)Cl)CC)=O	277
+C(CCc1cccs1)CCC	2501
+c1(ccccc1Br)Cn2c(N3CC(N)CCCC3)nc4c2C(NC(=O)N4C)=O	1811
+c1cc(ccc1)CCN2C(=O)c3c(nc(Br)n3Cc4ccccc4Br)N(C)C2=O	1474
+c1c(CC)nn(CC(O)=O)c1CC	3
+CC(C)(c1c(nc(nn1)-c2c3c(n(Cc4c(F)c(F)ccc4)n2)nc(C)cc3)O)C(=O)OC	3553
+C(n1c2c(c(n1)C(NN)=N)ccc(C)n2)c3cccc(F)c3F	3554
+O=S(=O)(c1ccccc1[N+]([O-])=O)NCCCCn2c3c4c(cccc4)nc(N)c3nc2CCOC	71
+C(COC)n1c2ccc(C(=O)O)cc2nc1-c3cc4c5ccccc5n(CC)c4cc3	1301
+c1cccn2c1ncc2C(Nc3cccc4n(CC=5C(=O)N(C(=CC=5)C)C)nc(CC)c34)=O	5988
+CC(C)CC(NC(C1CCCCC1NC(c2n(c3ccccc3c2)CCCCl)=O)=O)C#N	81
+c1cc(ccc1OCCn2cncc2)[N+]([O-])=O	57
+Clc1nc(nc(Cl)n1)Nc2cn(CC#N)cn2	3555
+[N-]=[N+]=NCCn1cnc2cc(ccc12)C(=O)OC	558
+c12c(cccc1)C(=O)N(C2=O)CCCCc3n(CC)nc(C#N)c3Br	851
+n1(C=C)cc(cn1)C(=O)OCC	5989
+CC(C)(C)OC(=O)n1nc(N)c2c1ccc(C3C(=C(C)NC(=C3C#N)C)C#N)c2	868
+C1CCCCC1NC(C2=C(O)c3c(ccc(c3)F)N(C2=O)C)=O	1112
+c12cc(C)ccc1N(C(C(C(=O)OCC)=C2OC)=O)CCCCCC	5990
+c1(C(CNCC(=O)OC)=O)c(O)c(NC2=C(OC)C(=O)C2=O)ccc1	5991
+C=1(O)c2c(N(C(=O)C=1C(C=Cc3cc(ccc3)NC(=O)COC)=O)C)nccc2	3556
+CN(C)C=CC1=C([N+]([O-])=O)C(=O)NC(=O)N1	3557
+C1CC1c2cc(ccc2-n3nnc(c3C)C(=O)NC=4C(=O)N(c5ccccc5F)N(C=4C)C)Cl	5992
+C1(=C(N=C2N(C1=O)C=C(F)C=C2)COC(C)=O)Br	3558
+C=1(C(N2C(=NC=1CO)C=CC(F)=C2)=O)Br	2502
+C1(CCCC(c2ccc(OCOC)cc2OCOC)C1)CO	3559
+n1c(C#N)c(Cl)cc(C(=O)OC)c1Cl	5993
+n1c(C#N)c(Cl)cc(C(=O)OC)c1-c2cc(F)ccc2	5994
+COc1ccc2c3C(CCCc3[nH]c2c1)=O	5995
+C1(=CC(Oc2cc(ccc12)O)=O)CCO	5996
+c1ccccc1COc2cc3c(cc2)C(=CC(=O)O3)CCO	22
+CC(C)(C)OC(=O)CN1C(N(C)C=C([N+](=O)[O-])C1=O)=O	3560
+FC(F)(F)c1cc(Oc2ccc(cc2)CSc3ncc(Cn4ccc5ccccc45)c(O)n3)ccc1Cl	3561
+O=S(=O)(OCCN1C(Cl)=CN=C(NCCc2ccccn2)C1=O)C	5997
+C1(=NCCc2ncccc2)C(N(C(=CN1)Cl)CCO)=O	59
+C(=O)(c1n(-c2c(Cl)cccn2)nc(Cl)c1)Nc3c(C)cc(C#N)cc3C(=O)NC	1302
+C1(=Nc2c(C)cc(C#N)cc2C(O1)=O)c3cc(nn3-c4ncccc4Cl)Cl	1942
+c1cc(ccc1)SCCCOc2nnc(O)c(c2Cl)Cl	5998
+C12=C(C(=O)N(CCCC)C=C1CCCC2)C(=O)O	5999
+C1(=O)C(=O)Nc2c(cc(c(c2[N+](=O)[O-])N)Cl)N1	6000
+C1(Nc2cc(c(c(c2NC1=O)N)N)Cl)=O	0
+OC(c1c(cc2c(c1)CCC2)N)=O	3562
+C1CC(c2cccc(Cl)c12)N3C(N(c4cc5c(N(C(S5)=O)C)cc4)C=C(c6nnn[nH]6)C3=O)=O	3563
+C1(C(=CN(c2cc3c(N(C(S3)=O)C)cc2)C(=O)N1C4c5cccc(c5CC4)OC)C(=O)O)=O	108
+c1c(nccc1)CN(Cc2ccccn2)CC(NC3C(=O)N4C3SCC(=C4C(OC)=O)COC(C)=O)=O	224
+C1(=O)C(=O)Nc2c(cc(c(c2[N+](=O)[O-])N)Cl)N1	3564
+C1(=O)C=CC(=O)N1CCCCN2C(=O)N=NC2=O	6001
+CC1(C)CC(=O)C2=C(NC(=C(C2c3ccccn3)C(=O)OCC)COCCN=[N+]=[N-])C1	6002
+C1c2c(cccc2OC)C3CCNC3C1	15
+CC(C)CC(C(=O)NC)NC(=O)C(CC(C)C)CP(=O)(O)CN1C(CCC1=O)=O	1560
+C1(=O)CCC(=O)N1Cc2ccc3c(nc(cc3-c4ccc(cc4)F)C(N)=O)c2F	247
+C1(=O)CCC(=O)N1Cc2c(F)c3c(cc2)c(cc(n3)C(=O)O)-c4ccc(cc4)F	1
+C1CN(CCN1C=2c3c(Nc4c(cc(CNC(=O)CCC(=O)OC)cc4)N=2)sc(c3)C)C	1280
+O=S(=O)(c1cnc(cc1)OCCC2CC2C3CCN(CC3)C(OCC4CC4)=O)C	613
+C1CC(CCN1C(OCC2CC2)=O)C3CC3CCOc4cc(F)c(CC(=O)N5CCC5)cc4	613
+n1c(C)sc2c1CCCC2=O	6003
+c12sc(nc1CCCC2=O)NC	3565
+C1CC(CCN1c2nc3c(cccc3)cc2)CCN4C(OCC4=O)=O	2504
+c1cc(ccc1CCN2C(COC2=O)=O)-n3ccc4cccnc34	2504
+c1cc(ccc1Br)CCN2C(COC2=O)=O	2504
+c1cc(ccc1)C(c2ccccc2)=Nc3cnc(c(C4(NC(=O)COC4)CF)c3)Cl	6004
+C1(=O)COCC(CF)(c2cc(Br)cnc2Cl)N1	559
+Clc1cnc(cc1)C(Nc2nc(C3(CF)COCC(=O)N3)ccc2)=O	6005
+C1(=O)COCC(c2nc(ccc2)Br)(CF)N1	559
+C1CN(CCN1c2ccccc2OC)CCCCN3C(CSC3)=O	28
+CC(C)(C)OC(=O)C(ON=C(c1cc(Cl)c(O)cc1)C(=O)NC2C3SCC(CSc4nnnn4C)=C(N3C2=O)C(=O)O)C	471
+CC(C)ON=C(C(NC1C2SCC(CSc3nnnn3C)=C(N2C1=O)C(=O)O)=O)c4csc(NC=O)n4	471
+[N-]=[N+]=NCCON=C(C(=O)NC1C(=O)N2C(=C(CSc3n(C)nnn3)CSC12)C(=O)O)c4csc(NC=O)n4	471
+O=S(=O)(c1n(CC(=O)NC2C3N(C2=O)C(C(=O)O)=C(CSc4nnnn4C)CS3)ccn1)C	952
+C1CC1CN2C(NC(C=C2Cl)=O)=O	6006
+C1(=O)NC(C(=O)N1)CC(OC)=O	27
+c1cc(ccc1OC)CN2C(C(NC2=O)CC(OC)=O)=O	6007
+C1(=C(C(NC(=O)N1)=O)[N+]([O-])=O)C	2429
+C1(=O)NC(NC(=O)C12C3N(c4c(cc5c(CO)noc5c4F)C2)CC(C)OC3C)=O	194
+O=C1NC(NC(=O)C12C3C(OC(C)CN3c4c(cc(CO)c(F)c4F)C2)C)=O	59
+C1(COc2c(c(F)c(cc2)CCCl)N1C)=O	239
+C1(=O)Nc2c(OC1)cccc2OCC(OCC)=O	52
+C(OC(COc1cccc2OCC(=O)N(c12)C)=O)C	239
+c12c(N(C(C(N1)=O)=O)N)cc(Br)c(c2[N+]([O-])=O)Br	6008
+c12ccccc1OCCN2	15
+c1cc(ccc1)CC(c2ccc3OCC(Nc3c2)=O)=O	94
+c1(OC)cccc2C(NC(=O)c12)=O	6009
+N1NC(c2cc(Br)ccc2C1=O)=O	6010
+c1ccccc1C(=O)c2cc(ccc2C(=O)O)Br	1943
+c1cccc2C(=O)N(C(=O)c12)CC(Cc3ccc(cc3)F)NC(c4cc(-c5c(Br)cnn5C)c(s4)Cl)=O	227
+c1cccc2C(=O)N(C(=O)c12)CC(NC(c3cc(-c4c(C)cnn4C)c(Cl)s3)=O)Cc5cccc(F)c5	227
+c1ccccc1Cn2c(CN)nnn2	45
+c1cc(ccc1[N+]([O-])=O)COC(c2cc(cc(c2C)O)N3C(=O)c4c(C3=O)cccc4)=O	470
+C1(=O)c2c(C(=O)N1c3ccc(c(c3)F)CC#N)cccc2	163
+C(c1ccc(N)cc1F)C#N	2505
+c1(N)c(c(Cl)ccc1C(=O)O)C	6011
+C1(=O)c2c(Oc3c(CBr)cccc13)cc(Cl)cc2	29
+CN(C)C(C1CCN(CC1)c2ccnc3c2c(C=C4Oc5cccc(O)c5C4=O)cn3C)=O	2506
+C1(=O)c2ccc(C(Cl)=O)cc2Sc3ccc(cc13)C	82
+C1(=O)c2ccc(cc2Sc3ccc(cc13)C)C(=O)OC	279
+c12OCCc1c3[nH]ccc3cc2	1561
+c12c(F)cccc1C(=O)C(N2CCF)=O	6012
+C(=O)(c1c2c(c(F)ccc2)[nH]n1)O	6013
+O=C1c2c(C(=O)N1C(CC(CN3C(=O)c4ccccc4C3=O)=C)C(F)F)cccc2	6014
+C1CC(CCC1N)C2Oc3c(cnc4ccc(OC)nc34)NC2=O	45
+C1CC(CCC1N)OCC	45
+C1CC(CCC1OCCC)N	45
+C1CC(CCC1Oc2ccc(cc2)C(OCC)=O)N	45
+C1C(c2cccnc2)CC(N)C1	45
+NC1Cc2c3cc(C#N)ccc3n(Cc4nc(ccc4)F)c2C1	45
+CC(C)(C)OC(NCC=1N(C(=O)c2c(C=1OCCCC)cc(cc2)Br)CC3CC3)=O	2507
+c1ccc2c(c1)C(=O)N(C2=O)CCN3C(C)COCC3C	28
+C1CN(CCC1N2c3c(N(CCN4C(c5c(C4=O)cccc5)=O)C2=O)cccc3)C6CC7c8c(cccc68)CCC7	3285
+c1cccc2C(=O)N(C(=O)c12)CCOc3ccn4c(c(c(-c5ccccc5)n4)C=6C=CC(N(N=6)C(C)C)=O)c3	8
+c1ccc2C(=O)N(C(=O)c2c1)CCn3cnc(C(OC)=O)c3	541
+O=C1c2ccccc2C(=O)N1CCOc3c(-c4ccccc4)nc5c(cccc5)c3C(=O)NC(CC)c6ccccc6	458
+O=C1c2ccccc2C(=O)N1CCOc3c(cc(c(-c4ccccc4Cl)n3)-c5ccc(cc5)Cl)C#N	1923
+c1cc(ccc1CC=2c3c(cccc3)C(N(N=2)CC4CCCN4CCN5C(c6c(C5=O)cccc6)=O)=O)Cl	28
+c1cc(ccc1)C(c2ccccc2)OCC3CCN(CC3)CCN4C(=O)c5c(C4=O)cccc5	28
+C(CCCCCCCCCCCCCCC(O)=O)CN	45
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3C(=O)C(c4cc5c(OCO5)cc4O)c6ccccc36	462
+CC1(C)C(N(c2ccc(OCCCN)cc2N(C)C1=O)CC)=O	45
+c1(CN)c(C)onc1CCCC	45
+O=S(=O)(c1sc(cc1)CN2C(c3c(C2=O)cccc3)=O)Cl	2508
+FC(F)(F)c1cccc(S(=O)(=O)N2CCC(CC2)ON3C(=O)c4ccccc4C3=O)c1	92
+c12c(C(=O)N(C1=O)OCCOS(=O)(=O)C)cccc2	7
+C1(=O)c2ccccc2C(=O)N1c3nc(c(c(C)c3)C)Cl	174
+c1c2c(ccc1)C(=O)N(C2=O)c3cc(Br)n(Cc4ncccn4)n3	3568
+c1cccc2C(=O)N(C(=O)c12)c3cc(CC)n(n3)Cc4cc(ccc4OCC(C)C)Cl	309
+n1c(Cl)c(c(C)cc1N)C	1131
+[nH]1c(nc2c1C(=O)n3c(nnc3N2CCCCC)CCN)Br	866
+C1(=S)N(CCCCC)C(N)=C(N)C(=O)N1	721
+C1CCC1C(NC=2N(CCCCC)C(NC(=O)C=2N)=S)=O	6015
+C1(=S)N(C(=C(C(=O)N1)N=O)N)CCCCC	863
+C1(=O)C(=C2CCCCC2=CN1CCCC)C#N	6016
+FC(F)(F)COc1ccc(cc1)N2C(=S)NC=3C(=O)N(C=CC=3C2=O)Cc4c(OC)cc(cc4)OC	6017
+C(CC)CN1C(N)=C(N)C(NC1=O)=O	721
+NC=1C(NC(=O)N(CCCCC)C=1N)=O	721
+NC1=C(N)C(NC(=O)N1)=O	721
+FC(F)(F)C(NCC#CC1=CN(C2OC(C(O)C2)CO)C(NC1=O)=O)=O	6018
+O=S1(=O)CCC(c2c1c(cc(c2C)C(OC3=CC(=O)CCC3)=O)C)OC(c4ccccc4)=O	6019
+c12N(C(CF)C)C(Cc1cccc2)=O	1562
+C1(=O)Nc2c(c(Br)c([N+](=O)[O-])c(Br)c2)NC1=O	77
+c12c(c(c(CC)cc1NC(=O)C(=O)N2)CC)[N+]([O-])=O	31
+C(OC(C1Cc2c3cc(OC)ccc3[nH]c2C1)=O)C	27
+O=C1CCC(=O)N1CCOc2c(OC)cc3C=4N(C=C(C(=O)C=4)C(=O)OCC)C(CC)Cc3c2	8
+CC(C)COc1cc2c(C=3N(C=C(C(=O)C=3)C(=O)OCC)C(CC)C2)cc1OC	8
+O=C1N(c2cc(OC)ccc2C(C)=C1)CCN3CC(C(OCC)=O)N(CC3)CCc4ccc5c(c4)OCCO5	61
+C1CC(C(C(=O)C=[N+]=[N-])CC1)C(=O)OC	1945
+c1(SC)nc(OC)c(I)c(NC2CC(CO)C(O)C2O)n1	40
+c1(ccc(CNC2C3CCC(C3)C2C(OC)=O)cc1C)F	42
+O=C(CNC(=O)C=1C(=O)N(Cc2c(F)cccc2)n3cccc3C=1O)O	3569
+C1C(OC(=O)C)C(OC(C)=O)C(OC(=O)C)C(O1)n2c(Br)nc3cc(c(F)cc23)F	3570
+C1CN(CCN1c2cc(ccc2OC(C)C)F)CCCN3C(C(=C(C3=O)C)C)=O	3433
+C1C(c2c([nH]c3c2cccc3)SC1)C(=NC)C	6020
+FC(F)(F)Oc1cccc(-c2cc(NC(=O)C3CNC(=O)C3C)nn2-c4ccccc4)c1	142
+CC(C)(C)[Si](C)(C)OCC1CC(OC(=O)C)CCC1(C2CCC3(C)C(CCC3=C)C2CO)C	19
+FC(F)(F)CSCC(=O)NC1C2N(C(C(O)=O)=C(COC)CS2)C1=O	952
+C1(c2cc(OC)c(cc2)OC)CC(CCC1[N+](=O)[O-])OC(=O)C	152
+c1(c(Cl)cccc1)C2CCC2N	733
+CC(C)(C)OC(N(C)C1C(O)CCCC1)=O	23
+OC1C(O)CN(C1)c2cc(nc(Cl)n2)C(=O)OC	54
+C1CC(CCN1C(=O)OCc2ccccc2)CCCCC(NC3C(=O)Nc4ccccc4SC3)C(=O)OCC	6021
+CC(C)(C)OC(=O)NC(CC(=O)NC1Cc2ccccc2NC1=O)Cc3ccccc3F	6022
+O=S(=O)(c1ccccc1)NC2C(=O)Nc3c(C2)cccc3	1946
+CC(C)(C)OC(=O)NCc1c2C(N(C3C(=O)NC(CC3)=O)C(C)=Nc2ccc1)=O	6023
+N(C(N)=O)Cc1cccc2c1C(N(C3C(=O)NC(CC3)=O)C2=O)=O	3571
+O(C)c1ccccc1Nc2cccc3C(=O)N(C4C(=O)NC(CC4)=O)C(c23)=O	3571
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)Nc4ccc5OCOc5c4)=O)=O	6024
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)OCc4cc5c(OCO5)cc4)=O)=O	3572
+C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)OCc4cccc(F)c4)=O)=O	3572
+c1c(Br)cc2c(C(N(C3CCC(=O)NC3=O)C2)=O)c1	3573
+CC(C)(C)OC(=O)NC(C(NC1Cc2c(NC1=O)c(N)ccc2)=O)CC(C)C	207
+CC(C)(C)OC(NC1Cc2c(NC1=O)c(cc(c2)Br)[N+](=O)[O-])=O	1245
+C=1(N(C(=S)NC(C=1N)=O)c2cc(CC)ccc2)N	721
+N1C(C(Nc2c1cc(c(c2C#N)Cl)N)=O)=O	0
+C1(C(O)C(C(O1)n2ccc3c(ncnc23)N)(O)C#C)CO	869
+CC(C)(C)OC(=O)NC(C(C)C)C(OC1C(OC(C1(C#C)O)n2c3c(cc2)c(N)ncn3)CO)=O	27
+c1cc(ccc1OP(OCC2C(C(C(N3C=CC(NC3=O)=O)O2)(C)F)O)(=O)NC(C(OC(C)C)=O)C)-c4cccc(F)c4	6025
+OCC1C(O)C(O)C2N=C(SC2O1)NC	6026
+FC(F)(F)C(NCC#CC=1C(NC(=O)N(C2OC(C(OCC=C)C2)CO)C=1)=N)=O	6027
+C1CC(C(=O)O)CN2C1CCOC2=O	4
+CC(C)(C)Nc1[n+]([O-])cc2CCC3N(CC(C(=O)OC)CC3)C(=O)c2c1	6028
+C1CC(C(=O)O)CN2C(c3c(cnc(F)c3)CCC12)=O	4
+C1(C(OC)=O)CN2C(c3c(CCC2CC1)c[n+](cc3)[O-])=O	103
+C1(C(OC)=O)CN2C(c3c(cnc(F)c3)CCC2CC1)=O	3574
+C1(C(OCC)=O)CCc2c3cc(ccc3[nH]c12)C(NO)=N	181
+C1(C(OCC)=O)CCc2c3cc(C#N)ccc3[nH]c12	180
+FC(F)(F)Oc1cc(C#N)cc(-c2nc(no2)-c3ccc4[nH]c5c(CCC5C(=O)OCC)c4c3)c1	6029
+CC(C)(C)OC(=O)NCC1Oc2c(Cl)cc(cc2C1O)Br	37
+CCC1(NC(C)(CC)CC2(C1C)NC(=O)NC2=O)C	6030
+CC12CCC(C(OC(C)=O)C1CCC2=C)C3(C(CC(OC(=O)C)CC3)CC=O)C	24
+c1cc(ccc1C)S(=O)(=O)OCCC2C(C)(CCC(OC(=O)C)C2)C3C(OC(C)=O)C4CCC(=C)C4(C)CC3	36
+c1cc(cc2c1C(CBr)=C(c3cnc(OC)nc3OC)C(=O)O2)OC	6031
+O(c1c(c2OC(=O)C(=C(C)c2cc1)C)C)C(=O)C	225
+C1(CN(CCC1=O)C(OCC)=O)C	66
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(C3(C(C)C)CC(CC3)NC4C(COCC4)C)=O	87
+FC(F)(F)S(=O)(=O)OC1=CCC(C(OCC)=O)CC1C	6032
+c1ccccc1CNC2C(C)CC(C(OCC)=O)CC2	87
+C1(C)CCCC(C)N1C(Cl)=O	6033
+CC1CCCC(C)N1Cc2nc(nc(c2)C)SCCCCCC	315
+C1(CCCC(C)N1C(=O)NNc2ccc(F)cn2)C	2452
+C1C(C)N(CCC1)c2n3cc(ccc3nn2)OC4CCC(N)c5ccccc45	870
+C1(C)CN(CC(C)C1)c2c(cc(cc2)B3OCC(CO3)(C)C)N	734
+C1(C)CN(CC(C)C1)c2c(N)cc(Br)cc2	0
+C1(CN(CC(C)N1S(=O)(=O)c2ccc(cc2)C#N)CC(=O)Nc3cccc(c3C)F)C	92
+O=S(=O)(Nc1cc(ccc1Cl)N2CC(C)NC(C)C2)c3ccc(cc3)Br	69
+C1(C)CN(CC(C)O1)Cc2cc3-c4n(C(Nc3nc2)=O)ncn4	6034
+FC(F)(F)Oc1ccc(cc1)CN2c3ncc(cc3-c4ncnn4C2=O)CN5CC(C)OC(C)C5	6035
+C1(C)CN(CC(C)O1)Cc2cc(C#N)c(NC(=O)OCC)nc2	278
+CC(C)(C)OC(=O)n1nc(cc1)CN2CC(C)NC(C2)C	596
+C1(C)CN(CC(C)N1)CC(=O)Nc2cccc(c2C)F	224
+C1(C)CN(CC(C)N1)c2cc(c(cc2)Cl)N	560
+C1C(C)NC(CN1c2cc([N+]([O-])=O)c(OC)cc2)C	79
+CC1CN(CC(C)N1)c2ccc(cc2)C(=O)OCC	34
+C1CCN(C1)c2c3CC(N4c3c(c(c2F)N)C(C(C(O)=O)=C4)=O)C	34
+c1ccccc1C(Nc2ccc3C(CC(=O)c3c2)C)=O	3576
+CN(C)CCOC1C2(C(CC1)C3C(c4ccc(OC)cc4CC3)CC2)CC	649
+C1(C2(C)C(CC1)C3C(C4(C)C(=CC3=NO)CC(CC4)OC(=O)C)CC2)OC(C)=O	6036
+C1(C2(C)C(CC1)C3C(C4(C)CCC(CC4=CC3=NOCCCn5cncc5)OC(=O)C)CC2)OC(C)=O	871
+O=C1C=2CCCCC=2C(=O)N1c3cc(ccc3F)OC(C)C	313
+C12C(C(=O)C(C1=O)c3c(CC)sc(-c4ccc(cc4)Cl)c3)C5CCC2O5	460
+C1CC1c2nsc(n2)-c3c4CCCCc4sc3NC(=O)C5=C(C(O)=O)CCC5	3577
+Cc1noc(-c2c(sc3CCCc23)NC(=O)C=4CCCC=4C(=O)O)n1	3577
+CCCc1ccnc(C#N)c1	1303
+O(Cc1nc(ccc1)C#N)C2CCOC2	1304
+c1(N2CC(COc3ccon3)OC2=O)ccc(I)c(F)c1	6037
+C1CN(CCN1C)C2(CCC=COC2)CNCC3=Cc4c(cccc4)N(C)C3=O	6038
+C1CC(Nc2cccc(OCCOC(CC(=O)C)=O)c12)=O	1305
+C1CC1C(=O)N2CCC(C2)CNC(=O)CC(=O)C	3578
+C1CCCCC1N2CCN(CC2)C(=O)CC(C)=O	3579
+CC(C)(C)OC(C(C)(C)Sc1nc(CCN(CCCCCCC)C(CC(C)=O)=O)cs1)=O	3579
+C[Si](C)(C)CCOC(=O)CC(C)=O	1305
+c1cc(ccc1)CN(CC(C)(C)COC(CC(C)=O)=O)C	1305
+c1ccccc1C2(CCN(CC2)CCCOC(=O)CC(C)=O)c3ccccc3	1305
+c1ccccc1C2(CCN(CC2)CCOCCOC(=O)CC(C)=O)c3ccccc3	1305
+c1ccccc1COc2cc(ccc2)NC(=O)CC(=O)C	6039
+c1nn(c2c1C(CCO)CCC2)-c3cc(c(cc3)Cl)Cl	44
+n1cccnc1NCCCOc2cc3c(cc2)CC(c4c(C3)cccc4)CC(OCC)=O	6040
+C1(CC(OC(C)=O)=C(C(C1)=O)C(=O)C)C2CSCCC2	6041
+C1(C(CCCc2sc(C(=O)OC)cc2)C(C=CC(O)CCCC(O)C)C(O)C1)Cl	168
+CC(C)(C)[Si](C)(C)OC(CCCC(C=CC1C(CC(Cl)C1CCCc2ccc(C(OC)=O)s2)OC3CCCCO3)=O)C	1278
+CC1(C)CC(c2c(nn(-c3ccc4c(c(Br)cnc4N)c3)c2C1)C)=O	6042
+c1n(c2c(c(ncn2)Cl)n1)C3CC(C=C3)CO	6043
+NC=1CC(c2cc(C)ccc2F)CC(=O)C=1	3580
+C1(CC(CC(=O)C1=CN(C)C)c2ccc(cc2)Cl)=O	2509
+c1cc(ccc1Cl)C2Cc3c(C(C2)=O)cnc(N)n3	6044
+FC(F)(F)C(C)OCc1cc(Cl)cc(c1)-c2cc(nn2-c3ccc(cc3)F)NC(C4CC(NC4)=O)=O	142
+FC(F)(F)COCc1cccc(c1)-c2cc(NC(C3CC(NC3)=O)=O)nn2-c4ccc(cc4)F	142
+C(ON=C(C=1C(CC(CC=1OC(C)=O)C2CSCCC2)=O)C)c3sc(cc3)Cl	6045
+c1cc(ccc1COC(NCCCOc2ccc3c(CN(C)C(C(C3)CC(OC)=O)=O)c2)=O)[N+]([O-])=O	126
+C1(CC(OC)=O)C(=O)N(Cc2c(ccc(c2)O)C1)C	5
+CC(C)(C)OC(CN1C(=O)C(C(c2ccccc2)Sc3ccccc13)NC(=O)c4[nH]c5c(cccc5)c4)=O	6046
+c1c(-c2ccc(C#N)c(F)c2)nc(nc1N3CC(CCC3C)C(NCc4ccccc4F)=O)N	9
+C1(CCC(N1C(CCl)=O)C(=O)N)C#C	83
+C1(C(=O)O)Cc2c3cc(OC)ccc3[nH]c2C1	518
+C1CCCC1NCC(N2C(C#C)CCC2C#N)=O	402
+C1CCCCC1NCC(N2C(C#C)CCC2C#N)=O	402
+CC(C)(NCC(=O)N1C(C#C)CCC1C#N)CNc2ncc(C#N)cc2	402
+C1(CCC(N1C(CCl)=O)C#N)C#C	143
+CC(C)(C)OC(N1CC(CO)CCC1C)=O	23
+n1ccnn1-c2c(C(=O)N3C(CCC(C3)CO)C)cccc2	30
+C1(c2c(cccc2)C(CC1)N3C(Nc4c3nc(nc4)-n5cnc6c5cc(F)cc6)=O)=O	3341
+C1(CCC(Nc2nc(ncc2[N+]([O-])=O)-n3cnc4c3cc(F)cc4)c5c1cccc5)=O	6047
+C1(CCC(Nc2nc(-n3cnc4c3cc(F)cc4)ncc2N)c5c1cccc5)=O	193
+c1cc(N2C(c3cc(F)cnc3)CCC2CO)nc4c(cnn14)C(=O)OCC	790
+CC(C)(C)C(=O)c1c2c(cc(OC)cc2)n(CC(=O)N3C(CCC3CCC)CCC)n1	10
+c1c(F)c(c(cc1N2CCOCC2)F)NC(CC3CCC=C3)=O	33
+c1c2CCCCC(Nc2ccc1)=O	6048
+c1(ccc(OCOC)cc1OCOC)C2CCCC(C(=O)O)C2	6049
+NC1CCCCC1c2cc(c(O)cc2)OC	157
+c1cc(ccc1CNC2C(C(=O)OC)CCCCCC2)F	42
+C1(CCCCCCC1C(OC)=O)N	167
+CC(C)C(C(N(C(C(C)C)CC(c1nc(cs1)C(OC)=O)O)CCC)=O)NC(=O)C2N(CCCC2)C	207
+FC(F)(F)c1cc(ccc1OCCCN(C(C2N(C)CCCC2)=O)C)-c3nc(C#N)c4ncn(C)c4c3	10
+CC1(C)OB(OC1(C)C)c2cn(CCC3CCCCN3C)nc2	338
+Cc1cc(cc(C)c1)-c2c(O)nc3c(cc([N+]([O-])=O)c(Cl)c3)c2OCCC4CCCCN4C	72
+c1cc(ccc1)COC(=O)N2CC(CO)CCCC2	66
+c1cc(ccc1C2(CCC2)C(N3CC(CO)CCCC3)=O)Cl	10
+C(C)OC(=O)N1CCC(CCC1)N=C=S	985
+C1COc2cc(N)ccc2N1CCC3CCCN3C	15
+C1(CCCN1C)CCN2c3ccc(N)cc3OCC2=O	0
+C1(COc2c(cccc2)O1)CN3CC(CCC3)C(=O)N	28
+c1cc(ccc1)COC(=O)N2CCCC(C(N)=O)C2	66
+Clc1ccc(c(Cl)c1)CCNc2cc(N3CC(C(=O)O)CCC3)nc(n2)OC	54
+C(C1CN(CCC1)c2cc(Cl)nc(N)n2)(=O)O	54
+c1cc(ccc1)COC(=O)N2CCCC(C(O)=O)C2	66
+c1nc2c(nc(N3CCCC(C(OC)=O)C3)nc2s1)Nc4ccc(OC)c(c4)OC	117
+c12c(OC(CO1)CN3CC(Cc4c[nH]c5cc(F)ccc45)CCC3)c6c(nc(cc6)C)cc2	2510
+Clc1cc(N2CC(F)CCC2)c(cc1)[N+]([O-])=O	34
+O=S(=O)(c1c(ccc(C(=O)OC)c1)Br)N2CCCC(O)CC2	92
+c12c(cccc1)C(=O)N(C2=O)CCCCNC3CCCc4cccnc34	110
+O=S(=O)(Nc1ccc(cc1)CNC2c3ncccc3CCC2)c4ccccn4	42
+C1COCCN1CCn2c3c(cccc3)nc2CN(C)C4CCCc5cccnc45	3581
+c1cc(ccn1)Cn2c3c(nc2CN(C)C4c5ncccc5CCC4)cccc3	1947
+c1c(C)cc(cc1CC(=O)N2C(CC2)(C)C(=O)OCC)C	478
+c1cc(ccc1)C(c2ccccc2)CN3CC(O)(CC3)C	123
+C1C2CCC(CC1O)N2c3nc(nc4scc(-c5ccccc5)c34)N6CC(CC6)C(=O)N	117
+C1CN(CCC1CN(C2CN(CC2)C)C)c3nc(N4CC(C(N)=O)CC4)nc5scc(c35)-c6ccccc6	117
+C1CC(CCN1c2ccc([N+](=O)[O-])c(OC)c2)N3CCC(F)C3	85
+c1cc(ccc1-n2ncc3CC4(CN(CCC4=Cc23)S(=O)(=O)c5ccc(cc5)N6CCC(F)C6)COCC7CC7)F	79
+Clc1c2c(nccc2)c(c(C(=O)C)c1)N3CC(CC3)F	1563
+c1cc(ccc1I)S(=O)(=O)N2CCC(F)C2	92
+c1(C)cc(Cl)nc(N2CC(CC2)F)c1[N+](=O)[O-]	43
+N1(C(=O)NC2CC(CC(C2)Nc3nc(ncc3F)Cl)C)CC(CC1)F	1132
+C1CNCCN1CCC2OCCc3ccccc23	1306
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4c(cc(cc4)NC(=O)C5CCOC5)C#N	1294
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2cccc(-c3nc(C4CCOC4)sc3-c5nc(ncc5)Cl)c2F	873
+C1(CCOC1)Oc2cccc(c2C(NO)=O)O	1133
+CC(C)(C)OC(=O)N1CCC(CC1)COc2c3c(OC4CCOC4)cccc3on2	6050
+c1(cc(Oc2cc3c(cc2)C(N(CO3)C)=O)cc(c1)OC4CCOC4)C(=O)Nc5ncc(C)nc5	46
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(cc(OC4CCOC4)c3)C(=O)OC	706
+C1(CCOC1)Oc2c3C(NOc3ccc2)=O	3582
+CC(C)(C)OC(NC1CCOc2cc(ccc12)C#N)=O	37
+C1CC(CCN1CCC2c3ccccc3OCC2)NC(C)=O	61
+C(CO)N(C)CCCN1c2ccc([N+]([O-])=O)cc2CCC1	15
+C1Cc2c(c3c(OCC3)nc2)C1=O	155
+c1cc(cc2C(O)CCc12)-c3cc(ccc3)F	74
+C(C1c2c(CC1)cc(cc2)F)#N	3583
+C(C)OC(N1CCc2c(ccc3CCC(OC)c23)CC1)=O	76
+c1c2CCC(Oc2c3ccccc3c1)C(=O)OCC	27
+c1cc([N+]([O-])=O)cc2C(C(CC(=O)O)CCc12)=O	77
+C1N(C(=O)Cc2cccs2)CCCC1C(=O)O	3
+CC1CNCC(C)C1NC	215
+C1C(C)OC(CN1CC(=O)NN)C	561
+c1ccccc1C(c2cc(c(N3CC(C)OC(C3)C)c(c2F)F)C=O)=O	39
+c1cc(ccc1)[Si](c2ccccc2)(OCc3c(N4CC(C)OC(C4)C)c(F)c(cc3)F)C(C)(C)C	328
+C1(CN(CC(C)O1)c2ccc(C(=O)O)c(C)c2)C	1
+C1(C)CN(CC(C)O1)c2cc(c(C(=O)Nc3cnc(Cl)c(-c4nc5ccccc5[nH]4)c3)cc2)C	487
+C1C(C)OC(CN1c2cnc(cc2)N)C	161
+O=C(C1CCCN(c2nc3c(n2Cc4c(F)cccc4Cl)C(N(C(=O)N3C)C)=O)C1)O	3
+C1CN(C(=O)OCC)CC(C)C1NCC	87
+CCOC(=O)N1CC(C)C(CC1)N	316
+C1CC1c2cccc(-c3nc4c(nc(N5CCCC(C(OCC)=O)C5)cc4)[nH]3)n2	3584
+C1(CN(c2nc(c(N)cc2)N)CCC1)C(OCC)=O	13
+CC(C)(C)OC(=O)N1CC(CO)NCC1C	6051
+C1(CN(CC(C)N1S(=O)(=O)c2cccc(c2)C#N)CC(=O)Nc3c(ccc(c3)C#N)C)C	224
+O=S(=O)(C)OCC1CNc2ccccc12	7
+c1cc(ccc1S(=O)(=O)OCC2(c3c4N(C(C=Cc4ncc3Cl)=O)C2)O)C	36
+c1ccccc1CN(CC(O)c2cccc(c2)[N+]([O-])=O)CCOCc3ccccc3	170
+C1CN(CCN1c2c3c(nc(cc3)C)ccc2)CCc4ccc5OCC(N(C)c5c4F)=O	53
+C1(COc2c(cccc2)O1)CN3CC(CCC3)CN	15
+FC(F)(F)c1c(Cn2nc(-c3ccc(cc3)F)c4c2ccc(C=C5SC(=O)N(CC(O)=O)C5=O)c4)ccc(Cl)c1	377
+Nc1cc(F)c2N(C(Cc2c1)=O)CCF	0
+C(=O)(N(C1Cc2cc([N+]([O-])=O)ccc2OC1)CCC)CC	1564
+C1(Cc2c(N1CCF)c(F)cc([N+]([O-])=O)c2)=O	31
+c1cc2NC(Cc2cc1Br)=O	38
+C1c2c(cccc2)N(C(=O)C)C1=O	1948
+c1c2NC(Cc2cc(C(CCC)=O)c1)=O	94
+c1c2NC(Cc2cc(c1)C(=O)C)=O	94
+O=S(=O)(Cl)c1cc2c(NC(=O)C2)cc1	240
+c12ccccc1NC(=O)C2=Cc3cc4c([nH]nn4)cc3	1495
+C(Nc1ccc2c(c1)COC2=C3C(Nc4ccccc34)=O)CCl	3585
+c1c2CC(Nc2ccc1C(c3cc(ccc3)[N+]([O-])=O)=O)=O	222
+c1cc(ccc1[N+](=O)[O-])C(c2cc3CC(Nc3cc2)=O)=O	222
+CN(C)C(=O)c1cc(c2nc(n(c2c1)C)C)OC3CCOc4c3ccc(F)c4	6052
+C1(N(C(=O)C(N)=CN1COC)CC(OCC)=O)=O	6053
+c1ccccc1CS(=O)(=O)NC2=CN(C(=O)N(C2=O)CC(=O)OCC)COC	6054
+O(C(=O)CCCCCCN1C(=O)CCCC1C=CC(O)CCCCC)C	1565
+N1(C2(CC(C)(N(C(CC)(C2C)C)C)CC)C(N(C)C1=O)=O)C	1949
+C1(N(C(=O)NC12C(C(CC)(N(C(C)(C2)CC)C)C)C)C)=O	113
+[nH]1c(nc2c1N(C(N(C2=O)CC)=O)CCCC)Cl	1950
+CN(C)C1CCN(C(=O)CN2C(=O)c3c(cccc3)N(CC(Nc4cc(c(cc4OC)OC)Cl)=O)C2=O)C1	10
+C1(N(C(N(c2c1nc(Cl)[nH]2)CCCCC)=O)CCCCC(=N)NO)=O	409
+c1cc(ccc1)-c2onc(n2)CCCCN3C(N(c4c([nH]c(Cl)n4)C3=O)CCCCC)=O	6055
+c1cnccc1-c2nnc(N3CCOCC3c4cc(on4)-c5cccc(Cl)c5)n2C	2511
+CC(C)(C)[Si](C)(C)OCC(N1C(c2c(c(ccc2)[N+]([O-])=O)C=C1)=O)C(=O)OC	19
+C1C(COC)N(C(=O)C2N(C(=O)CN3CCCC3=O)CCC2)CC1	21
+FC(F)(F)S(=O)(=O)Oc1cc(-c2cnccn2)nn1CC	6056
+C1(N(CCC1(O)C#Cc2cccc(-n3nc(C(=O)N)c4cc(C#N)ccc34)c2)C)=O	1134
+C1(N(CCC1(O)C#Cc2ccnc(-n3c4cccc(F)c4c(n3)C(=O)N)c2)C)=O	1134
+C12(c3c(cc(Br)cc3)OC1)C(N(CCCCC)c4ccccc24)=O	20
+C1(N(CCCCC(CO)O)C(C(=CN1C)C)=O)=O	1951
+CC(C)(C)C(OCC1CCN(CC1)CCCN2c3c(cc(c(F)c3)F)CCC2=O)=O	53
+c1cc(ccc1)C(CC)NC(=O)c2c3ccccc3nc(-c4ccccc4)c2OCCN5C(=O)c6ccccc6CC5	2430
+C1(N(CCc2c1cccc2)CCCl)=O	1307
+O=C1OCc2cc(CCN3CCN(CCc4ccc5nonc5c4)C(=O)C3)ccc12	1508
+c1cc(ccc1CCNC=2N(CCCC)C(=O)N(C(C=2)=O)Cc3c(F)cccc3)[N+]([O-])=O	6057
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O	2428
+C1(N(Cc2c(F)cccc2)C(C(N)=C(N)N1)=O)=O	721
+C1(N(c2c(c(ccc2)C(=O)O)OC1)C)=O	1
+CC(C(c1cc2N(C(COc2cc1)=O)C)=O)c3cc(OC)ccc3Cl	1566
+CC(c1ccc(OC)cc1Cl)C(c2cc3N(C(COc3cc2)=O)C)=O	1566
+c1c(Nc2c3nccn3nc(-c4cc(CO)ccc4)c2)nc(cc1)N5CCCC5C	519
+C1(N(c2cccc(Nc3c4nccn4nc(-c5cncc(OC)c5)c3)n2)CCC1)C	2512
+C1(N(c2cccc(N)c2)C(CC1(CC)C)=O)=O	0
+c1(cc(N2C(CC(C)C2)C(NCC#N)=O)ccc1)Br	9
+C(c1ccc(C)c(C=2C(N(c3nc(SC)ncc3C=2)C)=O)c1)(=O)O	1
+c1cc(ccc1NC(NC=2C(N(c3cc(C)c(C)cc3C=2c4c(Cl)cccc4)C)=O)=O)Cl	6058
+c1cc(ccc1F)CNC2C3CC(C2C(OCC)=O)CC3	42
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(C3=O)CC(=O)OC	712
+C1(N2CCCC2c3n(-c4ccccc14)cnc3C#N)=O	6059
+C1(N2C(CCC2)c3n(-c4ccccc14)cnc3C=NO)=O	2513
+O=S(=O)(C)Nc1ccc2c(c1)C3=NC=C(C(OCC)=O)C(=O)N3C=C2C	80
+C1(N2C=C(c3ccc(N)cc3C2=NC=C1C(=O)OCC)C)=O	0
+C1(N2CCCC2c3n(cnc3CO)-c4ccccc14)=O	874
+C1(N2C(CCC2)c3n(-c4ccccc14)cnc3C=O)=O	614
+c1(F)c(Br)cc2N3C(c4c(cc(cc4)F)Oc2c1)C(NC(OC)=O)CCC3	15
+c1cc(ccc1)CNCCN2c3c(cc(C)c(Cl)c3)N=C4C(N=C(N=C24)O)=O	110
+c12c(ccc(c1)C=C3SC(=NC3=O)NCc4c(C)cccc4Cl)nc(NC)nc2OCC	3587
+C[Si](C)(C)CCOCN1C(C(C)=C(N(C1=O)C)Br)=O	6060
+FC(F)(F)c1cc(Oc2ccc(cc2)CSc3nc(c(cn3)C(=O)OCC)O)ccc1Cl	6061
+O(c1c(O)ncnc1)C	6062
+C1(=O)NC(NC(=O)C12Cc3c(c(c(F)c(COC(=O)C)c3)F)N4C2C(OC(C)C4)C)=O	3588
+C1(=O)NC(NC(=O)C12Cc3c(N4C2C(C)OC(C)C4)c(F)c5c(c(no5)C(=O)OCC)c3)=O	3588
+C1(NC(NC(=O)C1=Cc2ccc(cc2)C=Cc3nc(N)nc(N)n3)=O)=O	6063
+C1C(Cc2cc(OC)ccc2C1)N(C)CCC#N	987
+C[Si](C)(C)C#CC1=CNC(NC1=O)=O	3589
+C1(=CN(C)C(NC1=O)=O)[N+]([O-])=O	6064
+FC(F)(F)c1cc(Oc2ccc(cc2)CCSc3ncc(c(O)n3)Cc4cn(C)nc4)ccc1Cl	6065
+O(C)C(OC)CCN1C(=O)NC(=O)C(=C1)c2c(F)nc(C)cc2	6066
+CN(C)C=CC(c1c2CCN3C(c2ccc1)=CC(=O)NCC3=O)=O	2409
+CC(C)(C)OC(=O)N1CC2C(C1CO)CC(C)C2	23
+n1c2cccc(C(=O)N)c2[nH]c1-c3sc(C4N(C)CCC4)cc3	113
+CC(C)(C)[Si](C)(C)OC1C(=O)NCC1	1952
+c1ccccc1[Si](c2ccccc2)(OCC3C(=O)NCCC3)C(C)(C)C	328
+c12c(C(NCC1)=O)c(c(cc2Cl)Br)Cl	38
+c1c(cc(I)c(C)c1)C2C=3C(CCC=3NC4=C2C(NN4C)=O)=O	6067
+C1(=O)C=CC(=O)N1CCCCN2C(NNC2=O)=O	6068
+C1(NNC(=O)N1CCCCN)=O	102
+CC(C)(C)OC(=O)NC(COc1cc(on1)C(OC)=O)C	6069
+CC(C)(C)OC(=O)C=Cc1cc2CC(C(OC)=O)C(=O)Nc2nc1	1953
+Cc1cc2OCCNc2cc1Br	15
+c1c(cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2c1)CC(OCC)=O)Br	610
+CC(C)(C)[Si](C)(C)OCC(CN1c2c(OCC1=O)ccc(c2)C)C	988
+C1CN(CCN1CCOc2cc3c(cc2)OCC(N3)=O)c4c5c(nc(cc5)C)ccc4	28
+C1(Nc2cc(-c3cc(nn3C)C)ccc2OC1)=O	2514
+Cc1nn(C)c(-c2cc3NC(=O)COc3cc2)c1Br	875
+C1(Nc2cc(CO)cnc2N3CCCC13)=O	382
+C1(Nc2cc(C(=O)O)cnc2N3CCCC13)=O	1
+C1CN(CCN1c2ncc(cc2)C(OCC)=O)Cc3cc4NC(=O)C5CCCN5c4nc3	1954
+C1(C(Nc2c3[nH]cnc3c(Cl)cc2N1)=O)=O	6070
+C(c1ccc2c(NC(=O)CO2)c1)C(=O)O	4
+C(C)N(CC)CCNC(=O)c1c([nH]c(C)c1)C=C2C(Nc3cccc(-c4c(cccc4)F)c23)=O	292
+C1(Nc2cccc(c2OC1)C(=O)O)=O	1
+C1(N(c2c(c(C(=O)OC)ccc2)OC1)C)=O	239
+C1(Nc2cccc(c2OC1)C(CCl)=O)=O	6071
+Cc1nc(C(N2CC3C(C2CNC(c4cccc5NC(COc45)=O)=O)C3)=O)c(s1)-c6cccc(c6)C	14
+[N-]=[N+]=NCC(c1cccc2NC(=O)COc12)=O	6072
+c1nc(c2n1-c3c(c(ccc3)CC=C)OC2)C(=O)OCC	2515
+C1CN(CCC1NC=2c3cc(ccc3N(C)C(=O)C=2)OC)C(OCC)=O	6073
+c1cccc2[nH]cc(CNC(C3N(C(=O)C(C)N4Cc5ccccc5C4=O)CC(O)C3)=O)c12	9
+C1(C2(C(CC1)C3C(c4c(cc(OC)cc4)CC3)CC2)CC)O	6074
+C1(O)CC(C(O)=O)N(C(=O)C(C)N2Cc3ccccc3C2=O)C1	4
+O=S(=O)(OCC1C(O)c2cc(cc(Cl)c2O1)Br)C	7
+CC(C)(C)OC(=O)Nc1cc(cc([N+](=O)[O-])c1)N2C(C=C(C)C2=O)=O	6075
+c1ccn(c1)-c2c(ccc(c2)Cl)CC	1567
+FC(F)(F)c1c(c2c3c(c1)NC(=O)C(N3C(P(OCC)(OCC)=O)CC2)=O)-n4cccc4	1567
+c1ccn(c1)-c2c(F)ccc([N+]([O-])=O)c2	6076
+c1ccn(c1)-c2c(ccc([N+]([O-])=O)c2)O	1567
+c1cccn1-c2cc([N+](=O)[O-])c(N)cc2Cl	1567
+c1cccn1-c2cc([N+]([O-])=O)cc(c2)[N+]([O-])=O	1567
+C1C(C(CN(c2oc(c(C)n2)C(=O)OCC)C1)OC)NC(c3nc(Cl)c(CC)[nH]3)=O	855
+C1(OC2CC(CC(C(NC(NC)=O)=O)c3ccc(c(c3)Cl)Cl)CC2)CCCCO1	3590
+C=1C=C(C=2N(C(C(=C(C)N=2)CCCl)=O)C=1)C	6077
+C(CCCCCCCCCO)COCc1occc1	168
+C1CC(CCC1CCC)C#Cc2c(c(c(F)c3OC(CCc23)CCCCC)F)O	121
+C1(Oc2c(c(I)c(O)c(F)c2F)CC1)CCCCC	241
+C(Br)c1cccc2OC(CC)(Oc12)C	29
+FC(F)(F)c1cc(C(c2c(scc2)N)=O)ccc1	3591
+c1cc(ccc1)C(=O)c2ccsc2N	3591
+C1(CCCCC1c2cc(c(O)cc2)OC)[N+](=O)[O-]	460
+C1CCc2cccnc2C(OC(C)=O)C1	174
+c1c2c(ccc1)C(=O)N(C2=O)C(C3=C(c4ccccn4)C(N5C(=CC=CC5=N3)C)=O)C	6078
+c12c(cc(c(-c3nnc(C)s3)n1)C(C)N)cccc2Cl	45
+Clc1cc2c(cc1)Oc3ccccc3CN2C(CN)=O	1955
+c1ccccc1COc2cc(-c3cn(c4c3c(N)ncn4)C5CC(C5)CN)ccc2	45
+C1(c2c(C(=O)N1CCCC#Cc3c(N4CCCC4)nc(Cl)nc3)cccc2)=O	2516
+c1ccc2C(=O)N(C(=O)c2c1)CCCC#Cc3c(nc(nc3)Nc4ccc(cc4)C#N)NCCC	2516
+c1cc(ccc1Nc2ncc(C#CCCCN3C(=O)c4ccccc4C3=O)c(n2)N5CCCC5)C#N	55
+c1cc(ccc1)C(C)(CCCCCN)CO	45
+C12C(C3(CCC(CC3CC1O)OCCN)C)CC(O)C4(C)C2CCC4C(C)CCC(OC)=O	45
+O=S(=O)(NC(C)C)CCN	45
+C1(c2c(C(=O)N1CCc3cc(C(=O)O)nn3C)cccc2)=O	6
+c1cc(c(N=[N+]=[N-])cc1)N	2505
+C(OC(C)=O)C(N1C(c2c(C=C1)c(c(C)cc2)[N+]([O-])=O)=O)C	152
+C1CC(c2c1c(N)c(N)cc2)=O	562
+CC(C)(C)OC(C(C1CCCC1)c2ccc(cc2)CN3Cc4c(cc(F)c(F)c4)C3=O)=O	6079
+C1(c2c(Oc3ncccc13)ccc(c2)C=NO)=O	135
+C1(c2c(Oc3ncccc13)ccc(C#N)c2)=O	1308
+CC(C)NCC(O)c1scc(C)c1C	122
+c12C3N(C(c4c(cccc4)-n1cnc2)=O)CC3	6080
+C(N1Cc2c(cccc2)C(OC)C1)CN	15
+N1C(C)(C(COCC1=N)F)c2c(F)ccc([N+]([O-])=O)c2	3592
+C1(c2cc(ccc2Oc3ncccc13)CBr)=O	29
+c1cc(ccc1-c2c(C#N)cccc2)CN3c4c(cc(CC)s4)C(=O)N(Cc5ccc(OC)cc5OC)C3=O	3593
+C1(c2cc(F)ccc2)=CN(C(=O)C=C1)CCOc3c4ccc(cc4ncc3)OC	260
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(C=4CC(c5cc(I)ccc5)ON=4)n3)n1)C	6081
+c1(cc(C2CC(OC(=O)C)CCC2N)ccc1OC)OC	157
+CC(C)(C)OC(=O)N1CCN(CC1)CC(O)c2ccc3C=Cc4c(cc(Cl)cn4)C(c3c2)=O	170
+C1(c2cc(ccc2C=Cc3ncc(Cl)cc13)C4CO4)=O	3594
+C1(c2cc(ccc2Oc3ncccc13)CC#N)=O	163
+C1(c2c(Oc3ncccc13)ccc(C=O)c2)=O	1483
+C1(c2cc(CC(=O)O)ccc2Oc3ncccc13)=O	508
+C1(c2cc3[nH]c(-c4c(nccc4Cl)O)nc3cc2C(N1C)=O)=O	104
+[nH]1c2cc3C(N(C)C(=O)c3cc2nc1-c4c(ccnc4O)NC(Cc5cc(ccc5F)F)C)=O	105
+n1cc(cnc1N2CCc3c4ccccc4[nH]c3C2c5ccc6c(OCO6)c5)Br	117
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(ccc3c2OCC3=O)O	1092
+C(Br)c1cccc2C(=O)COc12	29
+c1cccc2C(=O)N(C(=O)c12)C3CCC(CC3)O	1889
+c1cccc2C(=O)N(C(=O)c12)C(CC(C)=C)C(F)F	1889
+c12c(cccc1)C(=O)N(C2=O)C(CCCC)c3cc(OC)c(OC)cc3	1889
+c1ccc2C(=O)N(C(c2c1)=O)C3COC4C(COC34)N	18
+c1ccc2C(=O)N(C(=O)c2c1)CCC(CC(C(OCC)=O)=O)=O	1135
+c1cc(ccc1)COc2c(nccc2)Nc3nc(CCN4C(c5c(C4=O)cccc5)=O)cs3	1102
+c1c(OCCCN)c(Cl)cc(C2=NNC(CC2)=O)c1	45
+C(Oc1cc2ccc(O)nc2cc1)CCN	45
+c1cc(ccc1N)OCCCN2C(c3ccccc3C2=O)=O	106
+c1cc(ccc1NS(=O)(=O)C)OCCCN	45
+C1(c2ccccc2C(=O)N1CCc3ccc(cc3)CCOS(=O)(=O)C)=O	7
+CC(C)(Cn1c(CON)nc2c1c3c(nc2N)cccc3)O	670
+c1cccc2C(c3c(C=Cc12)ccc[n+]3[O-])=O	103
+c1(nc(-c2nc(C#N)ccc2)cs1)-c3ccc(c(OCC)c3)OCC	6082
+c1cccc2c1cc3C(N(C(N)=O)O)CCn23	3595
+c1cc(ccn1)NC(=O)c2[nH]nc(Nc3c4c(cco4)nc(N5C(CCC5)c6ccccn6)n3)c2	549
+COc1cccc(NC(c2cc(Nc3c4occc4nc(N5C(CCC5)c6ncccc6)n3)n[nH]2)=O)c1	549
+C1(CCCc2cccnc12)N(C)Cc3nc4c([nH]3)cccc4	113
+C1(N(C(SC)=NC)CCOC1)c2noc(-c3cc(Cl)ccc3)c2	1956
+C12(C(CCC1C3CCc4cc(ccc4C3C(OC)C2)OC5OCCCC5)=O)C	1136
+FC(F)=C1C2(C)C(CC1)C3C(c4c(CC3)cc(cc4)OC5OCCCC5)C(OC)C2	6083
+c12c(cccc1)C3(N=C=O)C(CCCC3)CO2	6084
+C12CC=CC1(CCC3C4(C)C(CCC23)=CC(=O)CC4)C	6085
+C1CC1(c2ccnc3c2cccc3)C(=O)N4CCC5(OC(=O)c6c5ccnc6F)C4	731
+C12(c3c(OC1)cc(-c4cnccc4)cc3)C(N(CCCCC)c5ccccc25)=O	305
+c1ccccc1CNC(=O)C2=C3C(=CN(CCCC)C2=O)CCCC3	6086
+c12c(cc(c([N+]([O-])=O)c1)C)OC(C3=C2CCNC3)=O	31
+c1cc(ccc1CN2CCC3=C(C2)C(Oc4cc(ccc34)OC)=O)OC	3596
+c1cc(ccn1)CN2CC3=C(CC2)c4c(cc(cc4)OC)OC3=O	3596
+c1cc(N)c(cc1)CSc2[nH]c3c(n2)CCCC3	6087
+CC(C)(C)OC(NC1CCN(c2c(F)cc(N3C(=O)OC(Cn4ccnn4)C3)cc2)C1)=O	6088
+c1ccccc1CN2CC3N(C(C2=O)CC3)C	3598
+C1C2C(CC3C1O3)C(=O)N(C2=O)CCCN4CCN(CC4)c5cc(F)ccc5OC6CCCC6	53
+C1CC(C(O)=O)C2(CC(O)C3C4(CCC(CC4CCC3C12)=O)C)C	6089
+CC(C)(C)OC(=O)N1CC(NC(=O)NC2C3C(OC2)C(CO3)Oc4c(nccc4)C)CCC1	1957
+C12C(C3(CCC(CC3CC1O)OCCNC(c4cc(ccc4)Br)=O)C)CC(O)C5(C)C2CCC5C(C)CCC(OC)=O	14
+c1cc(ccc1O)CC(NCCOC2CCC3(C(CC(O)C4C5CCC(C5(C)C(CC34)O)C(CCC(OC)=O)C)C2)C)=O	9
+C12C(C3(CCC(CC3CC1O)OCCNC(c4cc(ccc4)Br)=O)C)CC(O)C5(C)C2CCC5C(C)CCC(=O)O	4
+O=S(=O)(c1ccc(cc1)C)OCCOC2CC3CC(O)C4C5CCC(C5(C)C(CC4C3(CC2)C)O)C(CCC(OC)=O)C	36
+C1(c2c(C(=O)N1CCOC3CC4CC(O)C5C6CCC(C6(C)C(CC5C4(CC3)C)O)C(CCC(OC)=O)C)cccc2)=O	332
+C12C(CC(C1)COc3cc4c(c(ccn4)Oc5c(cc(cc5)[N+]([O-])=O)F)cc3OC)CN(C2)C(OCc6ccccc6)=O	262
+C1C2CNCC2CC1COc3cc4c(c(ccn4)Oc5c(cc(cc5)[N+]([O-])=O)F)cc3OC	62
+CC(C)(C)OC(=O)N(CC(N1C(C#N)CCC1)=O)C2CC3C(C2)CC(C3)OC(NC(C)C)=O	1568
+C12C(CCC1)c3cc(Cl)c(cc3NC2=O)CCO	59
+Clc1cccc(CNCCc2cc3NC(C4C(CCC4)c3cc2Cl)=O)c1	1130
+C1C2C(CN1C(CN3CCC(CC3)N4C(=O)Cc5cc(ccc45)C(=O)NC)=O)CCC2	224
+C12C(CNC1)C2(c3cccc(NS(=O)(=O)C)c3)C	1569
+c1cc(ccc1)CN2CC3C(C2)C3(C)c4cccc(NS(=O)(=O)C)c4	80
+C1C2C(CN1c3cccc(Nc4cc(-c5cc(C(=O)OC)ccc5)nn6ccnc46)n3)C2	3599
+C1C2C(CN1C(=O)CCc3[nH]c4ccc(F)cc4c3C)C2(c5cc(NS(=O)(=O)C)ccc5)C	10
+O1CCOC2C1CN(C2)CC=CC(=O)Nc3c(OCC)cc4c(c3)c(ncn4)Nc5cc(ccc5)C#C	3600
+c1cc(ccc1-c2ccc(cc2)N3N=CCCC3=O)N4CCC5CN(CC45)C	79
+c1cc(ccc1N2C3CN(C)CC3CC2)Br	79
+c1cc(ccc1)C(c2ccc(cc2)N3CCC4CN(C)CC34)=O	34
+C12C(c3c(NC1=S)cccc3)CCC2	199
+C1(=N)Nc2c(C3CCCC13)cccc2	2518
+C12C(c3c(cc(CCOC(=O)C)cc3)NC1=O)CCC2	152
+C12C(CCC1)c3cc(Cl)c(CCOC(=O)C)cc3NC2=O	196
+C12C3CN(C1)CC23C=O	1137
+C12C3CN(C1)CC23C(C#N)N	2519
+C12C3NCCC1(COCC2)c4c(ccc(c4)O)C3	5
+C1CC1C(N2C3Cc4c(cc(cc4)O)C5(CC2)C3CCOC5)=O	58
+C(Cl)CN1C2C=C(CC1CC2)c3cc4c(cccc4)cc3	1507
+CC(C)(C)OC(CC1(CC2c3c(C1CC2)cccc3)O)=O	3601
+C12CC(=O)CC1C(CC2)CCCCC(CC)OC(C)=O	27
+C12CC(=O)CC1C(CC2)CCCCC(CC)O	88
+Clc1cccc(Cl)c1-c2noc(C3CC3)c2COC4(CC5CCC(C4)C56OCCO6)C	6090
+FC(F)(F)C(=O)N1C2CC(CC1CC2)=C3c4c(cc(cc4)Br)Oc5ccccc35	520
+C12CCC(CC(C1)O)N2c3c4c(-c5ccccc5)csc4nc(n3)Cl	1570
+C12CC(CC(CCC1)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O)C(N)=O	83
+CC(C)(C)OC(NCCNC(=O)C1C2(C(CC1)C3C(C(O)C2)C4(C(CC3)CC(CC4)O)C)C)=O	9
+N(C(C1CCC2C1(CC(O)C3C2CCC4CC(CCC34C)O)C)=O)C	9
+C1CC1N2c3c(c(c(c(C=C)c3C(C(C(=O)O)=C2)=O)F)N4C5CC(N(C)C5)C4)F	34
+CC(C)c1c2c(ncnc2sc1)N3C4CC(C(C4)OCCO)C3	1570
+C12CC3(CC(C1)CC(C3)C2)CC(Nc4c5c(ccc4)nc(cc5)CCCNCCCO)=O	2
+C12CC3CC(C1)CC(C2)(C3)CNC(c4c(Cl)ccc(c4)CCCNCCCCO)=O	285
+C12CC3(CC(C1)CC(C3)C2)CNC(c4c(Cl)ccc(c4)CCCO)=O	21
+C12CC3(CC(C1)CC(C3)C2)CNC(c4c(ccc(c4)-c5c(N6CC(C6)C(=O)OC)nccc5)Cl)=O	89
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4cc(-c5ccc(nc5Cl)C)ccc4Cl	89
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(nc5ccc4Cl)N6CC(N)CCC6	286
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(N6CC(CCC6)NCCC(O)=O)nc5ccc4Cl	479
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(N6CC(CCC6)NCCC#N)nc5ccc4Cl	1287
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(nc5ccc4Cl)N6CCC(NCCc7nnn[nH]7)C6	3408
+C12CC3(CC(C1)CC(C3)C2)CNC(c4cc(ccc4Cl)-c5c(nc(C)cc5)C#N)=O	1958
+C12CC3(CC(C1)CC(C3)C2)CNC(c4n5c(ccc4)nc(c5)C(OCC)=O)=O	1959
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(Cl)ccc(CCCOS(=O)(=O)C)c4	7
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(ccc(c4)-c5ccc(C)nc5C(O)=O)Cl	876
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(Cl)ccc(c4)CCC(O)=O	4
+C12CC3(CC(C1)CC(C3)C2)CNC(c4n5cc(C(O)=O)nc5ccc4)=O	6
+C12CC3(CC(C1)CC(C3)C2)COC(NC(CNC(c4sc(CCC(=O)N=C5NCCCN5)cc4)=O)C(=O)OC(C)(C)C)=O	6091
+C12CC3(CC(C1)CC(C3)C2)COC(NC(CNC(c4sc(CCC(=O)N=C5NCCCN5)cc4)=O)C(=O)OCC(C)C)=O	27
+C12CC3(CC(C1)CC(C3)C2)COC(NC(CNC(=O)c4sc(CCC(=O)N=C5NCCCN5)cc4)C(O)=O)=O	32
+C1C2CC3CC1(CC(C2)C3)c4c(CCCOCOC)cc5ccc(-c6ccc(cc6)C(OC)=O)cc5c4	6092
+C12CC3(CC(C1)CC(C3)C2)c4c(CCCO)cc5ccc(-c6ccc(cc6)C(OC)=O)cc5c4	347
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C#Cc5nc(cnc5)C	6093
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C(=O)OC	14
+C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C=O	24
+C1C2CC3CC1CC(C2)(C3)OCCOCCOCCOCCOCCO	6094
+C12CC3CC(C1)CC(C2)(C3)c4ccc(c(C)c4)OC	6095
+C1C2CC3CC1CC(C2)(C3)C(Nc4ccc5nc(N)sc5c4)=O	33
+C12CC3CC(C1)CC(C2)(C3)CNC(c4cc(ncc4Cl)CCC=O)=O	24
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(Cl)ccc(OCCCS(=O)(=O)CCCO)c4	1547
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(Cl)cnc(CCCO)c4	587
+C1C2CC3CC1(CC(C2)C3)NCc4ccc(cc4)C=CC(=O)OC	42
+CC(C)(C)OC(N1C2(CN(C2)C(NC34CC5CC(CC(C5)C3)C4)=O)CC1)=O	384
+C1C2CC3CC1CC(C2)(C3)OCCOCCOCCOCCOCCN=[N+]=[N-]	133
+C12CC3CC(C1)CC(C2)(C3)c4cc(-c5cc(C=C6C(N=C(N7CCSCC7)S6)=O)ccc5)cc(F)c4O	3602
+C12CC3CC(C1)CC(C2)(C3)c4cc(c(OCC(NCCN(C)C)=O)cc4)C	9
+C1C2CC3CC1(CC(C2)C3)c4c(OCOC)c(C(=O)c5ccccc5)cc(-c6cccc(C=O)c6)c4	11
+C1C2CC3CC1(CC(C2)C3)c4ccc(c(C)c4)O	5
+C12CC3CC(C1)CC(C2)(C3)c4cc(C)c(cc4)OCC(=O)O	3
+C12CC=CC1(CCC3C4(C(=CCC23)C=C(OC)CC4)C)C	6096
+C12CCC(C1(CCC3C4C(=CC(CC4)O)CCC23)C)=C	6097
+c1ccccc1C(=O)C2CC3CCC(C2)S3	6098
+c1ccccc1-c2nnc(N3CC4CCC(C3)N4C)cc2	212
+CN(C)Cc1nc(Cl)nc(N2C3CCC2COC3)c1	1309
+c1cc(ccc1)COc2ccc3CC4CCC(Cc3c2)C4=O	22
+c1c(c(-c2n(c3c(c(N4CC5N(CC4)C(=O)CC5)nc(n3)C)n2)CCO)ccc1)Cl	1310
+C12CCC(C1(CCC3C4C(=CC(CC4)=O)CCC23)C)=C	6099
+CC(C)(C)OC(N1Cc2n(nc(C(=O)N3C4CCCC3CC(C4)C(OCC)=O)c2)CC1)=O	147
+CC(C)(C)OC(Nc1cc(ccc1C=CC(=O)N2C3CCCC2CN(C3)Cc4ccc(cc4)F)Cl)=O	404
+c1ccccc1COC(N2CCC34c5cc(ccc5CC2C3CCCC4)O)=O	66
+CC(C)(C)OC(=O)N1C(C(=O)O)CC2CCCCC12	663
+C1CC2CN(CC1C2NC)Cc3ccccc3	87
+C1C2CCC(CN1c3nc(nc(c3)Cl)-c4ccc(cc4)[N+](=O)[O-])O2	2520
+c1cc(ccc1S(=O)(=O)NCCN2CC3CN(CC(C2)O3)CCc4noc5c4cccc5)C#N	123
+C1N2CCOCC2CNC1	15
+Clc1ccc2c(cnnc2N3CC4COC(=O)N4CC3)c1	212
+c1cc(ccc1[N+](=O)[O-])-c2nc(NC(C)C)cc(N3C4COCC3CC4)n2	40
+C1C2C[Se]CC(CN1CCc3ccccc3)C2	1571
+CC(C)(C)[Si](C)(C)OCC1NCC2COCCN2C1	19
+C1COCCN1c2c3C4CCC(c3c5n(c(nn5)C)n2)C4	212
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CC3)CCOCC(OCC)=O	53
+CC(C)(C)OC(N1CC=C(c2cc3c(OCC4=NNC(=O)C(C)N34)cc2-c5ccccc5F)CC1)=O	563
+C1=2COc3cc(c(cc3N1C(C)C(NN=2)=O)Br)-c4ccccc4F	38
+c1cc(ccc1C)S(=O)(=O)OCCN2C(N(N3C4=C(N=CN(N)C4=NC23)c5ccco5)C)=O	36
+C1CC1C=2Cc3c(Cl)cccc3C=2	6100
+Cc1c(nc(cc1)COC(C)=O)C#N	6101
+c1ccccc1COC2=COC(=CC2=O)CN=[N+]=[N-]	3603
+N#Cc1cc(F)c(cc1F)C2=CCN(CC2)C	1572
+n1c2c(ccc(Nc3cc(C=4CCN(C)CC=4)ncn3)c2)ccc1	1960
+C1CNCCC1c2cc3c(cc2OC)nnc(c3Nc4c(cc(cc4)C)F)C(N)=O	191
+C1CC(CCO1)c2c(nccc2)F	671
+C1COCCC1c2ccnc(F)c2	191
+n1(C)ncc(C=2NC(n3c(ncc3)C=2)=O)c1	6102
+c1cc(ccc1)Oc2cc(C)c([N+](=O)[O-])cc2C=3C=CC(=O)N(C)C=3	46
+C1CC(CCN1)c2cccc(c2F)F	191
+c1(C)cc(cc(C)n1)Oc2c(cc(C3=C(C(N(CCCC)C=C3)=O)C#N)cc2)F	6103
+c1(nc(ccc1C)C#N)COC(C)=O	6104
+C1=CC(Br)=CC(N1CC(CO)C)=O	95
+C1=CC(Br)=CC(N1CC(COC)C)=O	76
+c1cc(ccc1C2=CC(N(C=C2)CC(COC)C)=O)C(C)N3CCC(c4ccccc4)(OC3=O)CC(C)(C)O	6105
+c1cc(ccc1)C2CCN(CC2)C3=CC(=O)N(C=C3)CCCC	6106
+CC1(C)C(C)(C)OB(O1)C=2C=CN(CCO)C(C=2)=O	6107
+FC(F)(F)C(O)(C(C)c1c(Cl)c(Cl)c(OC)cc1)C=2C=CC(N(C)C=2)=O	6108
+C(C)N(CC)C(C)CC1(C=CCC=C1)c2ccccc2	15
+c1cc(ccc1C2CC(CC2)=O)Br	6109
+Cc1c2ccc(N3CC(OC3=O)Cn4nncc4)cc2on1	1961
+[nH]1c(C(NC2CCN(CC2n3nncc3)c4sc(C(OC)=O)cn4)=O)c(Cl)c(c1C)Cl	1961
+c1cc(ccc1C=2CC(Cn3nncc3)ON=2)Br	1961
+c1cc(ccc1I)N2C(=O)OC(Cn3ccnn3)C2	1961
+FC(F)(F)Oc1ccc(cc1)N2C(C3(CCN(CC3)C=4C(N(CCC)C=CC=4)=O)CC2)=O	6110
+n1cc(C=2C(N(C=CC=2)CCCCCl)=O)ccc1F	6111
+O(C(=O)C)CC=1N=C2C=CC=C(C)N2C(C=1Br)=O	3558
+OC(C=1N=C2C=CC=C(C)N2C(C=1Br)=O)C	3604
+C1=CC=C(C)N2C(C(Br)=C(N=C12)C=O)=O	3605
+c1(cc(F)ccc1)C=2C(N3C(=NC=2CO)C=CC=C3C)=O	1100
+C1=CC=C(C)N2C(C(Br)=C(CCl)N=C12)=O	2521
+O=CC1=CC=C([Se]1)c2c(c(F)c(cc2)OCC)F	3606
+C1=CCC(C1)(C(=O)OC)c2cc(O)cc(F)c2	5
+C1=CC(C=CC1)(c2ccccc2)CCOS(=O)(=O)C	7
+C1C=CCN1C(C2CCCN(c3ccc4c([nH]c(-c5nc(ccc5)C6CC6)n4)n3)C2)=O	6112
+c1(cc(cc(F)c1)C=2C(=O)N3C(SC=C3)=NC=2C)F	6113
+C1=CSC2=NC(C)=C(I)C(N12)=O	6114
+c1c2c(c(c(F)c1)F)OCCC2	374
+c1cc2CCCOc2cc1F	374
+CC1(C)C(N(c2cc(CNCCN3C(=O)c4cc(oc4C=C3)C)ccc2N(CC)C1=O)C)=O	42
+CC(C)(C)OC(=O)NC1CC(=C)CC1C(O)=O	37
+Cc1c(COc2n(C)nc(C(=O)OC)c2)c(no1)-c3ncccc3	6115
+Clc1n2c(ccn2)nc(c1)C(=O)OC	6116
+c1(c(NC2=C(C(CCC2)=O)C)cc([N+]([O-])=O)cc1)Cl	6117
+C1(C(CC1)=NO)c2ccccc2Cl	350
+Nc1cc2CC(CCCc2cc1)=O	0
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C3=CCCCC3)C4CC(=O)N(C(C4)=O)C	616
+C1C(=O)N(C(CC1c2cc(c(cc2)N)C=3CCCCC=3)=O)C	989
+C1C(=O)N(C(CC1c2ccc(N)c(c2)Br)=O)C	38
+C1CN(CCC12CCNC(C2)=O)Cc3ccccc3	3598
+CC1(C)CCC(c2cc(ccc2N)C3CC(=O)NC(C3)=O)=CC1	989
+C1C(=O)NC(CC1c2cc(c(cc2)N)Br)=O	38
+CC(C)CC(CP(CN1C(CCCC1=O)=O)(=O)OCC)C(NC(CC(C)C)C(NC)=O)=O	6118
+C1N(CCc2c1sc(N)n2)C(=O)C	2522
+c1cc(ccc1F)C=2C(=O)CCC=2OCC	6119
+Clc1cc(cc(Cl)c1)COC(N2CCC(CC2)CCN(C)C(C=3CC(=O)NN=3)=O)=O	6120
+C1(N(CC(=O)N2CCCC2C(=O)N3C(C(=O)OC)CCC3)CCC1)=O	478
+c1cnc(Cl)c(CNC(C2c3cnn(C)c3CCC2)=O)n1	9
+C12=C(CCNC1)c3c(cc(OC)cc3)OC2=O	3607
+c1(cc(NC(N2Cc3c(CC2)nc(nc3O)-c4ccc5OCOc5c4)=O)ccc1)CC	6121
+C1C(C(CN(c2oc(C(=O)O)c(C)n2)C1)OC)NC(c3nc(Cl)c(CC)[nH]3)=O	6
+O=S(=O)(N(c1ccncn1)Cc2ccc(cc2OC)OC)c3ccc(c(c3F)F)OC4CCCC4c5ccnn5C	57
+c1(cc(ccc1F)CNC2C(CCC2)C(OC)=O)C	42
+c1c(C(C2CC2C(OC)=O)=O)cc(c3OCCCc13)Cl	94
+C1C(C(=O)O)N(C(=O)CN2CCCC2=O)CC1	4
+CC(C)(C)OC(=O)NC1C(N2C(C(=O)OC)CCCC2SCC1)=O	1245
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F	2523
+C1C(C)C(C(CN1C(OCC)=O)C)N	316
+C1(CN(CC(C)C1NC)C(OCC)=O)C	87
+C1CN(C(=O)OC)CC(C)C1Nc2c([N+]([O-])=O)cc(Cl)cc2	205
+C1C(NC(=O)c2c(c(Cl)c([nH]2)C)C#N)C(C)CN(C1)C(=O)OC	81
+Fc1cc(cc(F)c1OCC#C)C(NC2C(CCC2)C)=O	93
+C1C(C)CC(CC1CC(=O)OCC)C	774
+CC1CC(CC(C)C1)CC(O)=O	3
+N(C(C)=O)C1C(=O)NC(C(NC(CC(C)CCCCCCC1)C(O)CC(C)C(NCCCC)=O)=O)C	952
+CC1CN(CC(C)N1Cc2ccccc2)c3cc4c(C(=O)N(C)C)coc4cc3	79
+C1(CNCC(C)N1S(=O)(=O)c2cccc(C#N)c2)C	25
+c1cc(ccc1Nc2ncn(-c3ccnc(N4CC(C)N(C(C4)C)C(=O)C)c3)n2)N	1497
+C1(COCC(C)N1CCNC(C2CCCCN2c3nc4c(cccc4)o3)=O)C	9
+CC(C)(C)c1onc(c1)NC(NC2CCC(c3c2cccc3)Oc4ccc5nnc(N6CCCCC6C)n5c4)=O	1962
+C1C(C)NC(CN1c2ccc(c(N)c2)OC)C	0
+O=S(=O)(c1ccc(Br)cc1Cl)Nc2c(OC)ccc(N3CC(C)NC(C3)C)c2	69
+C1(CN(CC(C)N1C)c2ccc3occ(c3c2)C(=O)N(C)C)C	113
+CC1CC(CC(C)O1)(c2nc(COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC)cs2)O	1963
+c1cc(ccc1S(=O)(=O)n2c3cc(cc(c3cn2)C(=O)NNC(=O)CN4CC(C)OC(C4)C)Br)C	2524
+CC1(C)C(C)(C)OB(O1)c2cc(C=O)c(c(c2F)F)N3CC(C)OC(C)C3	17
+C[Si](C)(C)C#Cc1cc(c(N2CC(C)OC(C2)C)c(c1F)F)C=O	263
+C1C(C)OC(CN1c2ncc(cc2)C=C(F)c3nn(Cc4ccc(nc4)F)c(C)c3)C	6122
+C1(C)CN(CC(C)O1)c2ccc(Nc3nc4N(C(=O)C(Br)=C(C)c4cn3)C5CCCC5)nc2	3608
+C1C(C)OC(CN1c2ncc(cc2)C=C(F)c3nn(Cc4cnc(cc4)NC)c(C)c3)C	182
+c1cc(ccc1C)CCN(C)CCCCCC2C3C4C(C)(CC(C3c5ccc(O)cc5C2)F)C(CC4)O	28
+ClC(=NO)C1CCC2CC2C1	1964
+N1(Cc2cc(C(OCC)=O)sc2CC1)C(OCC)=O	3609
+C1C(C=NO)CCC2CC12	410
+c1(cccc(C2CN(C(C2)=O)c3cccc(C(=O)N)c3)c1)Oc4ccccc4C#N	472
+C1C(CC(N)=O)CC(C)CC1	83
+C1C(CC(NCC(N)=O)=O)CC(C)CC1	207
+C1CC(CCC1(c2cccnc2)C#N)=O	1965
+N1(C(CC(SC(=O)C)C1)C(=O)N)C	6123
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3cc4c(ncnc4cc3)NC5CCNC(C5)=O	40
+C1C(c2cccnc2)CC(O)C1	59
+C1C(CC1=O)c2nc(c3c(Cl)nccn23)I	6124
+c1cc(ccc1C2(CC(C2)=O)CC(OCC)=O)O	86
+C1C(CC1OS(=O)(=O)C)(C#N)c2ccccn2	7
+C1CCC1(C(=O)C)c2ccc3ccccc3c2	3610
+C1CN(CCO1)c2nc(Nc3ccc(cc3)C4(CCC4)C(OC)=O)nc5c2CCC5	55
+C1C(CC1)(C(O)CN2CCCCC2)c3ccccc3	100
+C1CCC1(C)C(Nc2c(cnc(n2)Cl)F)CC(=O)OC	40
+CC(C)(C)OC(=O)N1CC(C(=O)CC1)C(=O)C2(CCC2)C	6125
+C1C(CC1)(c2c(cc(cc2)Cl)OC)C=3c4cc(O)ccc4CCN=3	16
+O=S(=O)(CCC)NCCOc1cc2C(C3(CCC3)c4nc(Cl)ccc4)=NCCc2cc1	111
+C1C(CC1)(CC(N)=S)COCc2ccccc2	3378
+c1cc(ccc1)-c2csc(CC3(CCC3)COCc4ccccc4)n2	963
+c1cc(ccc1)-c2nc(sc2)CC3(CCC3)COC(=O)NC(C(O)C(NC(c4ccccc4)C)=O)CCCC	6126
+C1C(CC1)(F)c2ccc(C)[n+]([O-])c2Cl	103
+C1C(CC1)(O)c2sc(cn2)-c3cc(cc(c3)Nc4nc(-c5cnn(c5)CC(C)(C)O)ccn4)C	55
+C1C(CC1)(F)c2ccc(nc2Cl)C	6127
+CC(C)(C)OC(NCCOc1cc2C(C3(CCC3)c4nc(Cl)ccc4)=NCCc2cc1)=O	8
+C1CCC1(c2ncc(s2)Br)O	617
+C1CCC1Oc2c3CCC(N(c3ccc2Br)C(C4CC4)=O)C	521
+CC(C)(C)OC(NC(C)COC1CCN(CC1)c2nc3c(cc(OC4CCC4)cc3)o2)=O	521
+C1CCC1n2c3cc(ccc3c(C#N)c2)OC	6128
+C1C(CC1)c2[nH]c3cnc(cc3c2)Cl	6129
+C1CCC1c2cc3c(nccc3)[nH]2	6130
+C1C(CC1)C(N2CC(Nc3c(cnc(-c4c[nH]c5ncc(cc45)Cl)n3)F)CCC2)=O	58
+C1C(CC1)C(=O)N2CC(c3c4cccc5CCCn(c3)c45)C(c6c7c(cccc7)[nH]c6)C2	58
+C1C(CC1)C(NNC(c2ccc(cc2)C3(CCN(CC3)Cc4ccccc4)c5cc(OC)ccc5)=O)=O	1086
+c1cc(ccc1NC(C=2C(=O)N(c3ccccc3)N(C=2C)C)=O)Oc4cc(ncc4)NC(C5CCC5)=O	195
+C1C(CC1)C(N(CCCNc2c(cnc(Cl)n2)Br)C)=O	58
+C1CC(CCN1Cc2ccccc2)(c3cccc(c3)OC)c4ccc(cc4)-c5oc(nn5)C6CCC6	877
+c1cc(ccc1COC2=CC(N(C=C2)c3ccc4c(c3)n(c(C5CCC5)n4)C)=O)Cl	953
+C1C(CC1)c2c(nnc(Cl)c2)Cl	6131
+C1CCC1C(c2c(c(ccc2)C(C)C)O)C	564
+c1cc(ccc1)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN3Cc4ccccc4C(C5CCC5)(C(O)C3)O	61
+C1CN(CCN1CC2CCC2)c3c(cc(N4CC(C)OC(C)C4)cc3)C5CCC(C)(C)CC5	28
+CC(C)(C)OC(=O)N1CCC(CC1)(COCc2ccccc2)COCC3CCC3	176
+FC(F)(F)COc1cc(ccc1[N+]([O-])=O)C(C(=O)OC)CC2CCC2	3611
+C1C(CC1)N2C(=O)Cc3cc(NCC(O)C(OC)=O)ccc23	1967
+C1C(CC1)N2C(Cc3cc(ccc23)N)=O	0
+CC(C)(C)OC(N1CCC(CC1)c2nc3CCN(C4CCC4)CCc3s2)=O	6132
+C1CCC1N2CCc3sc(-c4ccc(cc4)Br)nc3CC2	6133
+C1C(CC1)N2CCC3(CCN(CC3)c4nnc(SC)cc4)CC2	1929
+c1cc(ccc1)COC(N2CC(C2)C(=O)N3CCCN(C4CCC4)CC3)=O	10
+C1C(CC1)N2CCc3cc(Nc4ccc(N5C(=O)CCC5)cn4)ccc3CC2	201
+C1C(CC1)N2CCc3cc(NC(=O)c4ncc(Br)cc4)ccc3CC2	187
+C1C(CC1)N2CCc3c(cc(cc3)Oc4ccc(nc4)O)CC2	104
+C1C(CC1)N2CCc3cc(ccc3CC2)OCCCC(=O)OCC	8
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4ncc(nc4)Cl	842
+C1C(CC1)N2CCc3ccc(OCc4c(F)cc(F)cc4)cc3CC2	22
+C1C(CC1)N2CCc3c(CC2)cc(cc3)Oc4cnc(cc4)OC	706
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4cnc(cc4)C#N	6134
+C1C(CC1)N2CCc3c(cc(cc3)Oc4cnc(nc4)C#N)CC2	6135
+C1C(CC1)N2CCc3c(ccc(c3)Oc4c(N5C(=O)CCC5)nccn4)CC2	842
+C1C(CC1)N2CCc3nc(C4CCN(CC4)C(=O)N5CCCC5)sc3CC2	776
+C1C(CC1)N2CCc3c(CC2)ccc(O)c3	16
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4ccc(cc4F)N5CCN(C)C5=O	6136
+c1nc(ncc1C(NCc2cc3c(cc2)CCN(C4CCC4)CC3)=O)N5CC(C5)OC	484
+C1C(CC1)N2CCc3cc(NC(=O)c4ccc(-c5cnccn5)cn4)ccc3CC2	3211
+C1C(CC1)N2CCc3cc(OCCCC(n4cncc4)=O)ccc3CC2	3612
+C1C(CC1)N2CCc3cc(OCCCC(=O)O)ccc3CC2	3
+C1C(CC1)N2CCc3c(CC2)cc(cc3)N	0
+C1C(CC1)N2CCc3c(CC2)cc(Oc4ncc(nc4)N5CCCC5=O)cc3	3613
+C1CCC1N(c2cccc(c2)F)S(=O)(=O)c3ccc(cc3)F	416
+CC(C)(C)OC(CCC(C(=O)N1CCN(CC1)C(=O)OC2CCC2)NC(OCc3ccccc3)=O)=O	10
+CC(C)(C)OC(N1CC(C1)N2CCN(CC2)C(CNc3cc(c(cc3OC)Cl)C4CCC4)=O)=O	6137
+C1CCC1c2[nH]c3c(c(cc[n+]3[O-])Cl)c2	6138
+C1C(CC1)c2cc3cc(ncc3[nH]2)N	664
+C1CCC1c2cc(c(cc2-c3cc(CC)n[nH]3)C(O)=O)C	1
+C1C(CC1)c2c(C(=O)CC(CC)=O)cc(c(C)c2)C(=O)OC	6139
+C1C(CC1)c2c(-c3cc(CC)[nH]n3)cc(c(c2)C)C(=O)OC	6140
+c1cc(ccc1O)C=NNc2nnc(Cl)c(C3CCC3)c2	878
+C1CCC1c2cc(Br)cc(c2OC)C=O	297
+C1C(CC1)c2c(Cl)nnc(c2)NN	599
+C1C(CC1)c2cc3n(nc2Cl)c(nn3)-c4ccccc4F	1968
+C1C(CC1)c2cc3n(nc2Cl)c(nn3)-c4ccccc4	1968
+c1cc(ccc1C2(CCN(CC2)C(=O)c3cc(C(OC)=O)c(C4CCC4)cc3CC)F)C#N	30
+CC(C)(CNc1nn2c(cc1C3CCC3)nnc2-c4ccccc4)CN(C)C	232
+C1C(CC1)c2cc3nnc(-c4ccccc4)n3nc2N	1969
+C1CCC1c2c(NCc3ncn(C)n3)nn4c(nnc4c2)-c5ccccc5	232
+C1CCC1c2c(c(F)c(cc2)-c3cc4OCCNc4nc3)O	5
+C1C(CC1)c2c(O)c(cc(c2)Br)C=O	38
+c1cc(ccc1)Oc2ccc(cc2)-c3c4c(N)ncnc4n(n3)C5CC6(C5)CN(C(=O)OCc7ccccc7)CCC6	3614
+C1C2(CO1)CC(C2)=CC#N	1573
+O=S1(=O)CC2(CC(C2)n3c(nc4c3ccc(Cl)c4)CCl)C1	3615
+C[Si](C)(C)CCOCn1c2ncnc(-c3cn(C4(CC(C4)C(OC)=O)CC#N)nc3)c2cc1	2525
+c1cc(ccc1OCc2cc3c(-c4ccc(OCCOCC)cc4C)csc3cc2)C5(CC(C5)=O)CC(O)=O	3
+c1cc(ccc1OCc2cc3c(cc2)scc3-c4c(cc(cc4)C5=CCS(=O)(=O)CC5)C)C6(CC(C6)=O)CC(O)=O	3
+C1C(CC1C(=O)OC)=O	167
+C1C(CC1=O)C(N(OC)C)=O	164
+C1C(CC1c2nc(no2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)=O	859
+C1C(CC1O)C(=O)N(OC)C	100
+FC(F)(F)c1c(Cl)cc(c(NC(CCC2CC(C2)=O)=O)c1)N	1294
+C1C(CC1=O)CCC(=O)O	3
+C1CN(CCC1)C2(CC(C2)COCc3ccccc3)C#N	735
+C1C(CC1c2n3c(c(Cl)ncc3)c(n2)I)N4CCN(CC4)C	85
+C1CN(CCN1C2CC(C2)c3n4c(c(Cl)ncc4)c(n3)I)C(=O)C	85
+C1C(CC1CSCCC)(CC2CC2)C#N	2455
+C1C(CC1n2c3c(c(N)ncn3)c(-c4cccc(c4)OCc5ccccc5)c2)CN(C)C	15
+CC1(C)CC(C1)C(=O)N	83
+C1C(CC1COC(F)F)NC(N2Cc3n(nc(c3C(=O)N)-c4cccc(c4)Cl)CC2)=O	6141
+C1C(CC1=CC#N)C(=O)OC	1573
+C1C(CC1C(OC)=O)(C)O	736
+c1cc(ccc1)COC2CC(C2)c3[nH]c4c(cccc4)n3	791
+C1C(CC1(C)F)C(=O)OC	1138
+C1C(CC1N=[N+]=[N-])C(=O)O	4
+C1C(CC1C2Oc3ccccc3C(N)C2)C(=O)OCC	2526
+C1C(CC1C2CC(=NOC)c3ccccc3O2)C(=O)OCC	189
+C1C(CC1C2CC(c3ccccc3O2)=O)C(=O)OCC	6142
+C1C(CC1C(=O)O)CC#N	4
+C1CC2(CCC1O2)COc3c(F)ccc(c3)-c4cn(C5CC(C5)CN6CCS(CC6)=O)c7c4c(N)ncn7	1311
+C1CN(CCS1=O)CC2CC(C2)n3cc(-c4cccc(OCC5OCCC5)c4)c6c(N)ncnc36	1311
+C1C(CC1C=O)C(OCC)=O	24
+O=S(=O)(OCC1CC(C1)O)c2ccc(cc2)C	36
+O=S(=O)(CCC)CC1CC(C1)(C#N)CC2CC2	991
+C1C(CC1CO)N2C=C(C(=N)NC2=O)F	6143
+C1C(CC1OCC(C)(C)O)N2C(=O)C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)=C(CCC)n6ncnc26	618
+C1C(CC1N)(c2ncccc2)C#N	18
+c1ccccc1[Si](c2ccccc2)(OC3CC(C3)C(N(OC)C)=O)C(C)(C)C	328
+c1ccccc1COC(=O)C2CC(C2)Oc3c(C)cc(cc3C)-c4nc5c(nc(Oc6c(cccc6)F)nc5)o4	20
+C1C(CC1COc2ccc(c(C)n2)Br)=O	86
+C1C(CC1(c2ccc(cc2)O)CC(OCC)=O)O	59
+c1cc(ccc1Br)OCCC2CC(C2)OC3OCCCC3	20
+C1C(CC1N=[N+]=[N-])(c2ncccc2)C#N	298
+C1CN(CCN1C2CC(C2)c3n4ccnc(N)c4c(n3)I)C	522
+C1C(CC1(CO)O)c2nc(c3c(Cl)nccn23)I	3616
+O1CCOC12CC(C2)c3onc(-c4cc(NC(=O)c5n6ccccc6nc5)c(cc4)C)n3	381
+C1C(CC1CN2CCS(CC2)=O)n3cc(c4c3ncnc4N)I	1306
+O=S(=O)(c1c(cccc1)C)OCC2CCC(=CC2)CCCCC	6144
+CC(C)(C)OC(=O)N(C1CC(c2c3cc(ccc3[nH]c2)[N+](=O)[O-])CCC1)CC	23
+c1cc(ccc1F)C(=O)N2CC(NC(=O)NC3C4C(OC3)C(CO4)Oc5c(nccc5)C)CCC2	115
+n1n(c2nc(-c3cnn(C)c3)cnc2n1)CC4CCCNC4	6145
+C1C(CCCN1C(=O)c2cnc(c(Cl)c2)Nc3ccc(C)nc3)CCC	1970
+C1CN(CCC1CN(C2CCN(C)C2)C)c3c4c(csc4nc(Cl)n3)-c5ccccc5	61
+c1(cccnc1N2CC(CC2)F)CO	295
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)CN6CC(F)(F)C6	48
+C1CC1COc2nc(ccc2N3CC(F)(F)C3)C(=O)NC(CC)(CC)C(N4CC(C4)(F)F)=O	10
+C1C(CN1C(c2cc(N(C(c3cc4c(-c5c(OCC4)cc(cc5)Br)s3)=O)C)c(cc2)Cl)=O)(F)F	30
+C1N(CC1(F)F)c2cnc(C(OC)=O)cn2	317
+C1N(CC1(O)c2cc(cc(F)c2)Cl)CC	183
+C1N(CC1C(=O)N2CCCN(C3CCC3)CC2)C(CC)=O	58
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(-c3c(c(ccc3)CCCN4CC(C4)C(O)=O)CC)s2	61
+c1cc(ccc1CN2CC(C2)C(=O)O)-c3onc(-c4cc(C#N)c(OC(C)C)cc4)n3	48
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(-c4ccc(cc4)CN5CC(C5)C(O)=O)n3	48
+FC(F)c1nc(N2CC(C2)C(O)=O)c(cc1C(OCC)=O)C#N	43
+C1C(CN1c2c(C#N)cc(c(CC)n2)C(=O)OCC)C(O)=O	43
+C1C(CN1Cc2cc(ccc2C)NC(CC)c3cc(c(Cl)cc3)C)C(=O)O	48
+C1C(CN1c2nc(-c3cc(ncc3)Cl)cc4c2ccnc4)C(O)=O	43
+c1cc(ccc1)Cc2cc3c(cc2)oc(-c4ccc(cc4F)C(C)N5CC(C5)C(=O)O)c3	3617
+C1C(CN1Cc2ccc-3c(c2)CCc4c(noc-34)-c5ccc(cc5)CCC)C(=O)O	48
+CC(C)(C)[Si](C)(C)Oc1cc2c(cc(cc2)CN3CC(C3)C(OC)=O)cc1	48
+C1C(CN1c2cc(nc(C)n2)-n3nc(nc3C)C)C(OC)=O	54
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(=O)N6CC(C6)C(=O)OC)CCC3)n2	10
+c1ccccc1COc2ccc(cc2)C3(CC3)c4nc5c(nc(-c6c(F)cc(cc6)CN7CC(C7)C(OC)=O)s5)cc4	48
+C1C(CN1C(c2sc3ccc(-c4ccccc4)cc3c2F)=O)NC5CCN(C(=O)c6ccccc6)C5	6146
+C1N(CC1O)CCc2ccccc2N3CCCCC3=O	61
+CC(C)(C)OC(NC(C(CC)C)C(N1CC(C1)O)=O)=O	10
+FC(F)(F)Oc1ccc(C2CC(CN(C(=O)N3CC(C3)O)C2)c4nc(OCC)no4)cc1F	468
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c(C)ccc3c2C=CN(C(CN4CC(C4)O)C)C3=O	123
+C1C(CN1c2c(cc([N+]([O-])=O)cc2)F)O	34
+C1N(CC1O)c2ncc(cc2)[N+](=O)[O-]	43
+C1N(CC1O)C(c2cc(-c3ccc(C)cc3C#N)cc(C(=O)OCC)c2)=O	30
+C1N(CC1O)C(=O)C2=C3CCCN3C(=O)C(F)=C2Nc4c(F)cc(I)cc4	6147
+C1N(CC1O)C(=O)c2nnc(o2)-c3ccc(cc3)OC	3618
+CC(C)c1ccc(cc1)CN2CC(C2)O	48
+c1cc(ccc1CN2c3c(ncc(N4CC(C4)O)c3)C=CC2=O)OC	244
+C1CC(CCO1)c2cc(ncc2)N3CC(C3)c4[nH]c5c(cc(Cl)cc5)n4	361
+C1N(CC1c2nc3cc(Cl)ccc3[nH]2)c4c(cnc(Cl)n4)Cl	54
+O=S(=O)(C)N1CC(C1)c2ccc(c(F)c2)N(C)c3ncc4c(n(C)cn4)c3	112
+C1C(CN1c2ncc3ccc(Cl)cc3n2)c4c(nccn4)-c5cc(c(cc5)C(NC)=O)F	549
+C1C(CN1c2ccc3c(cc(cc3)F)n2)c4c(-c5cc(c(cc5)C(NC)=O)F)nccn4	3619
+CC(C)(C)[Si](C)(C)OCc1cccc(N2CCN(CC2)CC(=O)N3CC(C3)OC)c1F	224
+C1N(CC1C(=C)C(OCC)=O)C(OCc2ccccc2)=O	3620
+C1CN(CCC1O)c2nccnc2C3CN(C3)C(c4[nH]c5ccccc5n4)=O	317
+C1N(CC1NC)C(c2ccc(c(F)c2Nc3c(cc(cc3)I)F)F)=O	1971
+C1C(CN1CC(NC)C(C)CC)O	15
+C1N(CC1CNc2c3sccc3nc(n2)Nc4cnn(C)c4)C(C=C)=O	6148
+C1C(CN1C(OCc2ccccc2)=O)C3(CC3)C(=O)O	3
+C1N(CC1Oc2ccc(Br)cn2)C(Nc3cccnn3)=O	6149
+C1N(CC1(F)F)C(=O)c2ccc(c(c2)N(C(c3cc4CCOc5cc(C(=O)NCCS(=O)(=O)C)ccc5-c4s3)=O)C)Cl	2527
+c1cc(ccc1C(c2cccc(c2)C#N)N3CC(C3)C(c4cc(C(O)=O)cc(c4)F)C(C)(C)F)Cl	6
+c1cc(ccc1Cl)C(c2cc(ccc2)C#N)N3CC(C3)C(C(C)(C)F)c4cc(cc(F)c4)CO	217
+C1N(CC1O)CC(C(CC)C)N(C)C(c2cc(c(cc2)F)F)=O	30
+C1N(CC1Oc2ccc(cc2)Cl)CC3C(CCCC3)NC(=O)Nc4nnc(s4)CC	238
+c1ccccc1OC2CN(C2)CCC(CO)NC(=O)Nc3sc(nn3)CC	992
+c1c(OC)cc(cc1NC(=O)NC(CCN2CC(C2)Oc3ccc(cc3)Cl)CO)OC	282
+C1C(CN1CCC(CO)NC(=O)Nc2sc(nn2)CC)Oc3ccc(cc3)Cl	238
+c1cc(ccc1Cl)OC2CN(C2)CCC(NC(Nc3cc(CC)nn3C)=O)COC	238
+c1cc(ccc1)C(c2cc3c(oc(c3)-c4c(F)cc(CN5CC(C5)C(OC)=O)cc4)cc2)O	488
+C1C(CN1Cc2cc(c(C#Cc3ccc(Br)cn3)cc2)F)C(OC)=O	3621
+C1C(CN1Cc2cc(F)c(-c3oc4c(cc(cc4)C(c5ccccc5)=O)c3)cc2)C(OC)=O	1936
+C[Si](C)(C)C#Cc1c(F)cc(CN2CC(C2)C(OC)=O)cc1	263
+CC(C)(C)[Si](C)(C)n1c2c(c(c(cc2)F)-c3nc(c4nc(CN5CC(C5)N6CC(NCC6)=O)ccc4n3)N7CCOCC7)cc1	3622
+C1C(CN1Cc2ccc3nc(-n4c(nc5c4cccc5)C(F)F)nc(N6CCOCC6)c3n2)N7CCOCC7	3623
+O=S(=O)(NC(C1CN(C1)c2c(C#N)cc(c(CC)n2)C(=O)OCC)=O)Cc3ccc(F)cc3F	344
+c1cc(ccc1CS(=O)(=O)NC(C2CN(C2)c3c(C#N)cc(c(CC)n3)C(=O)OCC)=O)Cl	344
+C1C(CN1c2ccc(N)cc2F)O	0
+C1N(CC1C(N2CC(C#C)CC2)=O)c3n4nccc4nc5CCN(CCc35)C	113
+C1N(CC1C(Nc2ccccc2N)=O)c3cc(nc(C)n3)-n4nc(nc4C)C	33
+C1C(CN1c2cc(nc(C)n2)-n3nc(nc3C)C)C(O)=O	4
+c1cc(ccc1)OC(=O)Nc2cc(c(cc2)N3CC(C3)O)F	90
+c1cc(ccc1Oc2cc(OC)ncc2[N+](=O)[O-])N3CC(C3)OCCOC4CCCCO4	242
+C1N(CC1C(=O)NC(C)C)c2nc(-c3cc(ncc3)Cl)cc4cnccc24	9
+C1N(CC1c2nc3ccccc3n2CC)c4nc(C)nc(-n5c(C)nc(C)n5)c4	1519
+FC(F)(F)CC(=O)Nc1ccc(cc1)Sc2nc(c(c(N3CC(C3)(F)C4CC4)n2)F)Nc5cc(n[nH]5)C	3624
+C1N(CC1OC)c2ncc(cn2)C(=O)O	1
+CCNCC1(CCCNC1)O	1574
+c1n(ccn1)-c2nnc(OC3CN(CCC3)Cc4cc5c(OCO5)cc4)cc2	171
+FC(F)(F)C(=O)N1CC(c2c3c(ccc2)[nH]cc3)CCC1	520
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(N(CC3CCCO3)Cc4nc(O)c5c(n4)CCOC5)=O	10
+C1CC1CN2CCC(CO)C2	61
+CC(C)(C)OC(=O)N1CC(CO)CCC1	23
+CC(C)(C)[Si](C)(C)OCC1CCCNC1	19
+c1(N2CC(CO)CCC2)c(cccc1)C=O	34
+c1cc(ccc1)COC(=O)N2CC(CO)CCC2	66
+c1cc(ccc1C2(CCC2)C(=O)N3CCCC(C3)CO)Cl	10
+C1COC(O1)(CCCN2CC(CCC2)CO)c3ccc(cc3)F	53
+c1cc(ccc1Oc2ccccc2)NC(=O)Nc3ccc4cn(CCCN5CCCC(CO)C5)nc4c3	61
+C1c2c(CC1CO)ccc(Oc3ncc(cc3)C(=O)N)c2	136
+CC(C)(C)OC(=O)N1CCc2c(n3nccc3nc2CC1)N4C(CO)CC4	1575
+C1CC(CCC1)C(C)NC(c2c3ccccc3nc(-c4cccs4)c2CN5CCN(CC5)C(N6C(CO)CCC6)=O)=O	776
+CC(C)(C)OC(N1C(CO)CCC1)=O	23
+OCC1N(CCC1)CCCOc2c(cc3c(Nc4c(cc(c5OCOc45)C#CCOC)Cl)ncnc3c2)OC	53
+Clc1cc(cc(Cl)c1)C(C)(C)C(=O)N(c2c(cc(N3C(CO)CCC3)nc2)-c4ccccc4Cl)C	43
+c1c(F)cc(cc1-c2cc(N3CCCC3CO)nc4n2nc(C)c4I)F	790
+C(N1CCCC1CO)C#N	1576
+C(CC(NCCCN1CCCC1=O)=O)C(N2CCCC2CO)=O	731
+c1(cc(ccc1O)Nc2c3c(OCC4NCCC4)cccc3ncn2)Cl	1111
+c1cc(CNc2c(cnc(N3C(CO)CCC3)n2)C=O)cc(Cl)c1OC	3625
+OCC1N(c2cc(n3nc(C)c(I)c3n2)-c4ccc(c(c4)F)F)CCC1	790
+c1cc(ccc1S(=O)(=O)OCC2OC(C(C2)OC(C)=O)n3cnc4c(N)ncnc34)C	36
+FC(F)(F)S(=O)(=O)OCC1OCCCC1	1932
+C1C(CO1)(C(c2ccc(C)o2)NC3=C(Nc4cccc5NC(=O)Oc45)C(=O)C3=O)C	993
+C1C(CO1)(C(c2ccc(C)o2)NC3=C(C(=O)C3=O)Nc4cccc(C(O)=O)c4O)C	993
+C1C(CO1)(C(c2ccc(C)o2)NC3=C(Nc4c(c(ccc4)C(=O)CNCC(OC)=O)O)C(C3=O)=O)C	3626
+C1OCC1(C(c2ccc(C)o2)NC=3C(C(C=3Nc4c5c(NC(=O)N5)ccc4)=O)=O)C	993
+C1OCC1(C(c2oc(C)cc2)O)C	3627
+C1CCCCC1C2(COC2)C=O	24
+C1CC(CCO1)Oc2c3[nH]c(cc3cc(c2)Oc4ccc(S(=O)(=O)C)nc4)C5=NCC(CC(NCC6(COC6)C)=O)S5	9
+C1C(CO1)(COS(=O)(=O)C)Cn2cc(cn2)[N+]([O-])=O	7
+CN(C)CC1(COC1)Cn2ncc(c2)[N+]([O-])=O	123
+C1OCC1(C)COc2ccc(Cl)cc2C=C3c4c(cc(cc4)Cl)NC3=O	1495
+C1CC(CCC1N(C2COC2)C3CC3)CO	44
+C1OCC1N(C)Cc2n(C)nc(c2)NC3=CC(=CN(C)C3=O)Br	523
+C1C(CO1)N(Cc2n(nc(N)c2)C)C	161
+OB(O)C1=CN(C)C(C(Nc2nn3CCN(Cc3c2)C4COC4)=C1)=O	3628
+OCC1N(C(=O)C2N(C(=O)CN3CCCC3=O)CCC2)CCC1	88
+C1C(Cc2cc(OC)ccc2C1)N(C)CCCN	51
+c1c2c(CC(N(CCCNC(=O)Cc3cc(OC)c(OC)cc3[N+]([O-])=O)C)CC2)cc(c1)OC	9
+C1c2c(nc(C(=O)OCC)s2)CC1	6150
+N(c1cc2c(C=3C(CN(C)CC=3)F)c[nH]c2cc1)C(c4sccc4)=N	1139
+C1C(F)C(c2c3cc(N)ccc3[nH]c2)=CCN1C	0
+CC(C)(C)OC(N1CCCC2C1CN(C2)c3c(cc4C(=O)C(=CN(C5C(F)C5)c4c3Cl)C(O)=O)F)=O	34
+c1cc(ccc1)CC(=O)C=CC2CCC(N2CCCCCl)=O	1278
+CC(C)(C)OC(N1CCC(CC1)(N2CCC(CC2)NC3CCCCC3N)C)=O	87
+FC(F)(F)c1cc(OC)c(c(c1)SC)C(NC2C(CCCC2)N)=O	14
+FC(F)(F)c1cc(c(C(=O)NC2C(N)CCCC2)cc1)C3CC3	14
+CC(C)(C)OC(=O)NC1C(N)COC1	3629
+s1c2c(c(ncc2C#N)NC3C(NC(C)CC3)C)cc1Br	2500
+FC(F)(F)c1c(ccc(NC2CCCC(C2)N)c1)C#N	60
+n1c(Cl)ncc(F)c1NC2CC(N)CC(C)C2	40
+c1cc(ccc1Cl)-c2nc(c(C(NC3CCCN(c4cc(OCC(OC)=O)ccc4)C3)=O)s2)C	454
+C1CCC(C1)CCC(Nc2c(ccc3nc(ccc23)N4CCC(C4)N)Cl)=O	286
+O=S(=O)(c1ccc(cc1)NC2CCNC2)C	60
+c1cc(ccc1N2CCC(N)C2)C(OC)=O	34
+c12c(C(=O)N(C1=O)C3CCCNC3)cccc2	672
+n1c(N2CCCC(N)C2)c3CCCCc3nc1Cl	54
+C1CC1Cc2nc(ncc2-c3nc(NC4COCCC4)ncc3)N	306
+c1(NC2CCCOC2)c3c(ccs3)ncc1[N+](=O)[O-]	1972
+O=C(NC1CCCOC1)c2cc3nonc3cc2	93
+c1(F)c(F)c(c(c(F)c1C(=O)CC(=O)OCC)F)N2CCC(NC(=O)C)C2	34
+C(C)(=O)NC1CN(CC1)c2ccc([N+]([O-])=O)c(-n3ccnc3)c2	34
+c1cc(ccc1[N+]([O-])=O)N2CCC(NC(C)=O)C2	34
+N#Cc1c(C(=O)NC2CCNCC2C)[nH]c(C)c1Cl	1574
+FC(F)(F)c1c(Nc2cc(F)c(cc2)CNC(C3(NC(=O)c4cc(cnc4)N)CCOC3)=O)ccc(OC)c1	9
+FC(F)(F)c1c(Nc2ccc(cc2)CNC(=O)C3(CCOC3)NC(=O)c4cc(cnc4)N)ccc(OC)c1	9
+FC(F)(F)c1cc(OC)ccc1Nc2cc(c(nc2)CNC(=O)C3(COCC3)NC(=O)c4cc(cnc4)N)F	9
+C1COCCN1CC(O)CN2CCc3c(C2=O)c(c([nH]3)C=C4c5cc(c(cc5NC4=O)NC(=O)CO)F)C	292
+C1C(Nc2c1cc(c(NC(=O)CO)c2)F)=O	948
+COc1ccc2C(C(=O)Nc2c1)C	2528
+c1c2c(ccc1OC)C(C(=O)N2)=Cc3c(CCCO)c4c([nH]3)CCCCC4	292
+c1cc2CC(=O)N(c2cc1F)C(=O)C	1948
+c1ccccc1COC2CC(O)CCC2	149
+C1OC(CCC1)OC2CC(CC2)CI	219
+CC(C)(C)[Si](C)(C)OCC1CCC(O)C1	19
+C12CC3(CC(CC(C1)C3)C2OC(=O)N4CCC(O)C4)O	3630
+C1C2CC3CC1CC(C2)(C3)CC(Nc4c(C)ccc5nc(N6CC(O)CC6)ccc45)=O	286
+C1CC(CCC1)CC(Nc2c3c(ccc2C)nc(N4CC(O)CC4)cc3)=O	286
+C1CC(CCC1)CC(=O)Nc2c(ccc3c2ccc(n3)N4CC(O)CC4)Cl	286
+c1cc(ccc1Cl)C2(CC2)C(N3CCC(O)C3)=O	10
+CC(C)(C)OC(N1CC(CC1)O)=O	23
+CC(C)(C)c1nc(N2CCC(C2)O)c3c(n(Cc4ccc(cc4)OC)nc3)n1	1577
+CC(C)Oc1ccc(S(=O)(=O)C)cc1C(N2CC(O)CC2)=O	30
+C[Si](C)(C)CCOCn1c2c(ccc(N3CC(CC3)O)c2)c(C(Nc4cn(nc4)Cc5cccc(c5)C#N)=O)n1	1578
+Clc1cc(-c2cc3[nH]c(NC(c4nc5cccc(N6CC(CC6)O)n5c4)=O)nc3cc2)cc(c1)F	6151
+c1c(ncc(c1)N2CC(CC2)O)C#N	3631
+FC(F)(F)Oc1ccc(cc1)NC(c2cc(Br)c(N3CC(O)CC3)cc2)=O	34
+Clc1c2c(nccc2)c(c(c1)C(=O)N(OC)C)N3CC(CC3)O	1563
+FC(F)(F)c1c(c(N2CC(O)CC2)ccc1)C=O	34
+FC(F)(F)c1ccc(N2CC(O)CC2)nc1	43
+O=C(CNC(c1ccc(c(Cl)c1)Cl)=O)N2CCC(O)C2	10
+C1CC1C(=O)c2cnc3c(c2NC4CCC(CC4)CN5CC(O)CC5)cc(cc3)Br	123
+c1(C(=O)N2CC(CC2)O)cc3nccc(Cl)c3s1	867
+c1(CN2CCC(O)C2)cc(ccc1)OC	48
+c1cc(N2CC(CC2)O)ncc1Br	6152
+c1cc(N2CC(CC2)O)ncc1Br	323
+c1cc(ccc1)COC=2C=CN(C(=O)C=2)c3ccc(N4CC(O)CC4)nc3	361
+c1cc(ccc1S(=O)(=O)N2CC(O)CC2)C#N	92
+c1cc(ccc1I)C(N2CC(O)CC2)=O	115
+C1CN(CC1O)c2ccc(cn2)C(=O)N	43
+c1cc(ccc1)CN2CC(O)CC2	48
+c1ccccc1NC(c2cc(ccn2)N3CC(O)CC3)=O	1465
+C1CC(CCN1c2ccc([N+](=O)[O-])c(OC)c2)N3CC(CCC3)O	85
+FC(F)(F)c1ccc(c([N+](=O)[O-])c1)N2CC(O)CCC2	34
+c1c(cc2c(nc(N3CC(CCC3)O)s2)c1)Br	1912
+C1OC(n2c3cc(c(cc3nc2Br)F)F)C(OC(C)=O)C(O)C1OC(=O)C	59
+c1cc(ccc1)N2CCN(CC2)C(=O)C3C(C(OC)=O)CC(CN3)OC	10
+FC(F)(F)S(=O)(=O)c1ccc(cc1)-n2ccc(c2)C=O	6153
+C1CN(CCN1c2ncccc2COC)CC3Oc4ccccc4OC3	28
+CC(C)(C)c1c(C2CCN(CC2)C(C3SCCC3)=O)cccc1	10
+c1(cccnc1C2CCCC(c3c(cccn3)C)N2)C	1571
+CN(C)c1nccc(-c2c(nc3n2cccc3)CN(C4CCCc5c4nccc5)C)c1	879
+C(N(C)C1c2c(CCC1)cccn2)c3nc4cccc(F)n4c3	879
+c12n(c(cc1c3c(C(NC3=O)=O)c(-c4ccccc4Cl)c2)C=O)CCCOC	3633
+CN(C)C=C1C(c2c(C(C1)c3c(F)cccc3)cccc2)=O	6154
+C1CC(CCC1CCCCC)c2cccc(F)c2F	191
+C1(=O)c2ccccc2C(=O)N1C3CCC(c4cnccc4)C3	1579
+c1cc(ccc1C(=O)C2C(=O)c3c(C2)scc3)Br	6155
+O=S(=O)(c1c(F)cc(c(F)c1)OC2C(c3n(ncc3)CC)CCC2)N(c4ccncn4)Cc5ccc(cc5OC)OC	57
+O=S(=O)(Nc1scc(C=2CCCC3(CC(N(Cc4cc(OC)ccc4)C=23)=O)C)n1)c5ccc(c(F)c5)F	1140
+C1C2(C(N(C(=O)C2)Cc3cc(ccc3)OC)=C(CC1)c4csc(N)n4)C	6156
+C1C2(CC1(C2)NC(C)=O)OC(C)=O	68
+C1C2(CC1(C2)NC(C)=O)O	59
+C1C2(CC1)CNC(c3n2c4cc(C(=O)Nc5ccc(F)c([N+]([O-])=O)c5)ccc4c3)=O	67
+C1C2(CC1)CNC(c3n2c4cc(C(Nc5cc(c(F)cc5)N)=O)ccc4c3)=O	0
+C1C2(CC1)CNC(c3cc4c(cc(C(=O)O)cc4)n23)=O	6
+C1C2(CC1)S(=O)(=O)CC(NC2=N)(c3cc(ccc3F)N)C	0
+O=S1(=O)C2(CCC2)C(NC(c3c(F)cccc3)(C1)C)=N	562
+C1C2(CC1)C(=N)NC(CS2(=O)=O)(c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F)C	187
+C1CN(CCC12CC3(C2)Cc4cc(C=5CCN(S(=O)(=O)C)CC=5)ncc4O3)c6nc(no6)CCC	880
+C1C2(CC1C2)NC(=O)c3nc(nc(N4CCC(CC4)c5n[nH]c6ncccc56)c3)OCC7CC7C#N	482
+C1C2(CC1C2)Nc3ncc(C(N)=O)c(SC)n3	2529
+C1C2(CC1C2)Nc3ncc(C(=O)N)c(S(=O)C)n3	3634
+C1C2(CC1C2)Nc3nc(SC)c(C#N)cn3	3635
+C1CN(CCC1C(=O)OCC)C2CC3(C2)CCN(C(OCC)=O)C3	66
+c1ccccc1C(N2CC3(CN(C3)C(NCc4ccc(cc4Cl)Cl)=O)C2)=O	115
+C1C2(CN1C(OCC)=O)Oc3ccc(cc3C(=O)C2)C=CC(O)=O	127
+C1C2(CN1C(OCC)=O)Oc3ccc(cc3C(=O)C2)C=CC(=O)NO	792
+C1C2(CN1C(OCC)=O)Oc3ccc(C=CC(NOC4OCCCC4)=O)cc3C(=O)C2	793
+C1C2(CN1c3cc(OC)c(Nc4nc(ccn4)-c5cnn6c5CCCC6)cc3N)CCCN2C	0
+C1CN(CCC12CN(C2)c3nc4ncccc4c(Nc5cc(n[nH]5)C)n3)C(=O)C	58
+N1(C(C2CC2(C=O)C1)=O)Cc3ccc(cc3OC)OC	24
+C1C2(CC1(n3cc(-c4nc(-c5cnn(C)c5)cc6nccn46)cn3)CC#N)COC2	2525
+CC(C)(C)c1nc(c2cc[nH]c2n1)N3CC4(C3)COC4	778
+C1N(CC12COC2)c3ccc(cc3)I	560
+O=S1(=O)CC2(CC(C2)Nc3c([N+](=O)[O-])cc(cc3)Cl)C1	60
+C1C(CNCC)(CCCN1C(=O)OC)O	122
+COc1cc2CCC3=C(CCC4(CC)C3CCC4=O)c2cc1	6157
+FC(F)(F)c1nc(C(=O)NCC2N(C(c3nc(C)sc3-c4cccc(C)c4)=O)CC5CC(CC25)C)ccc1	81
+C1C2C(CC(C)C2)C(N1C(=O)c3nc(C)sc3-c4cc(C)ccc4)CNC(c5ccnc(C)c5)=O	14
+C1C(C(O)CC1)c2ccnn2C	6158
+C1C2C(CC1COc3cc4c(cc3OC)c(ccn4)Oc5c(cc(cc5)N)F)CN(C2)C	0
+C1C2CC(CC2CN1C(CC#N)=O)Nc3c(cnc(Nc4ccc5c(C)n(C)nc5c4)n3)Cl	10
+C1CN(CCN1c2c(OC3CCCC3)ccc(c2)F)CCCN4C(=O)C5C(CCC(C5)O)C4=O	3636
+C(C)(NCC1(CCC2CCC1C2)NC(C)=O)=O	6159
+C12C(CN(C1)c3nc(N)ccc3)C2	361
+C1C2C(CN1CCCc3c(C)c4c(ccc(c4)F)[nH]3)C2(c5cccc(NS(=O)(=O)C)c5)C	15
+C1C2CNCC2CN1C(=O)c3c(cc(OC)cc3)-n4nccn4	25
+CN(C)C(N1CC2C(CC(C2)C#N)C1)=O	881
+C12C(CN(C1)CC=C)C2(c3cccc(NS(=O)(=O)C)c3)C	80
+C1C2C(CN1c3cccc(Nc4cc(nn5ccnc45)-c6cc(ccc6)C(=O)O)n3)C2	1
+c1cc(I)c2c(CC3C(C2)OCCN3C)c1OC	184
+C1C2C(Cc3cccc(OC)c13)OCCN2	15
+c1ccccc1COC(N2CCOC3Cc4cccc(c4CC23)OC)=O	66
+C1CC(C2(C)CCC3C(C12)CCc4cc(O)ccc34)=C	6160
+C12CC(CC(CCC1)N2C(=O)c3cc4CN(CCn4n3)C(NCc5cc(Cl)cc(c5)Cl)=O)C(O)=O	3
+C1C2CC(CC(CC1)N2C(=O)c3cc4CN(CCn4n3)C(NCc5cc(Cl)cc(c5)Cl)=O)C(OCC)=O	1893
+C12C(CC(C1)OC(NC(C)C)=O)CC(C2)NCC(=O)N3C(C#N)CCC3	6161
+C1C2C(CN1C(N(C)C)=O)CC(C2)C#[N+]CS(=O)(=O)c3ccc(cc3)C	1141
+c1c2ncn(c2ccc1)C=3C4(C)CCC5C6(C)C(CCC5C4CC=3C=O)CC(CC6)OC(=O)C	6162
+C1C2(CC1C2)NC(=O)c3cc(nc(Cl)n3)N4CCC(CC4)c5n[nH]c6ncccc56	81
+C1C2(CC1C2)Nc3ncc(c(n3)SC)Br	96
+C1C2CC1(C2)NC(=O)c3c(F)ccc(-c4cc5c(c(-c6ccc(cc6)F)oc5cc4CC(=O)OC)C(=O)NC)c3	14
+C1C2CC1(C2)NC(c3c(ccc(-c4cc5c(C(NC)=O)c(-c6ccc(cc6)F)oc5nc4Cl)c3)F)=O	14
+C1C2CC1(C2)NC(=O)c3c(F)ccc(c3)-c4cc5c(cc4CC(O)=O)oc(-c6ccc(cc6)F)c5C(=O)NC	4
+C1C2CC1(C2)NC(=O)c3c(ccc(c3)-c4c(CC(=O)N)cc5c(c(C(=O)NC)c(-c6ccc(cc6)F)o5)c4)F	83
+C1C2CC1N(C2)C(=O)c3ccc(c(F)c3)Oc4cc(cc(c4)OC(C)CO)C(=O)Nc5nn(C)cc5	30
+Cc1nc(C(N2CC3C(C2CNC(=O)c4c5C=CCOc5ccc4)C3)=O)c(s1)-c6cccc(c6)C	14
+c1ccc2OCCCc2c1C(NCC3C4C(CN3C(c5nc(C)sc5-c6cccc(c6)C)=O)C4)=O	14
+C1C2CC3(CC(CC1(C(O)C)C3)C2)O	100
+CC(C)(C)OC(=O)NC12CC3CC(CC(C1)C3)(O)C2	37
+C12CC3(CC(CC(C1)(NC(=O)c4cccc(Cl)c4)C3)C2)CO	95
+C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O	6163
+C1C2CC3CC(CC1(C(OC)=O)C3)C2N	316
+C1C2CC3(CC(CC1C3)C2O)O	100
+C1C2CC3CC(CC1(C3)CO)C2N	95
+CC(C)(C)OC(=O)NC12CC3CC(CC(C1)C3=O)C2	37
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)C2O)=O	37
+C1C2CC3CC(CC1C3(CO)C#N)C2	95
+C1C2CC3CC(CC1C3)C2(C#N)COc4cc(F)c(cc4Cl)C(OC(C)(C)C)=O	57
+C1C2CC3CC(CC1C3)C2(COc4cc(c(C(OC(C)(C)C)=O)cc4C5CC5)F)C#N	2530
+C1C2CC3CC(CC1C3)C2(COc4c(cc(C(NS(=O)(=O)C)=O)c(F)c4)C5CC5)C#N	258
+C1C2CC3CC(CC1C3)C2(COc4cc(F)c(cc4C5CC5)C(=O)O)C#N	153
+C1C2CC3CC(CC1C3)C2(O)CN	51
+C1C2CC3CC(CC1C3)C2(O)C#N	3637
+C1C2CC3CC(CC1C3)C2C#[N+]CS(=O)(=O)c4ccc(cc4)C	1141
+C1C2CC3CC(CC1C3)C2C#N	881
+C1C2CC3CC(CC1C3)C2NC(=O)c4c(n(-c5ccc(cc5)C(OC)=O)nc4)SC6CCCC6	597
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)CC(C(C(OCC)=O)C)c6c5c(ccc6)Br	1132
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)CC(=CC(=O)OCC)c6cccc(Br)c56	1132
+C1C2CC3CC(CC1C3)C2NC(c4cnn(c4Cl)C(C)(C)C)=O	597
+C1C2CC3CC(CC1C3N=C=O)C2	6164
+C1C2CC3CC(CC1C3)C2NC(N4c5c(OCC4)cccc5)=O	3638
+C1C2CC3CC(CC1C3)C2NC(c4c(n(C)nc4)Cl)=O	597
+C1C2CC3CC(CC1C3)C2NC(c4cccc(Br)n4)=O	81
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)CC(c6cccc(Br)c56)CC(OCC)=O	6165
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)c6c(cccc6C(C(C)C(O)=O)C5)Br	3
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)CC(c6cccc(Br)c56)CCO	44
+C1C2CC3CC(CC1C3)C2NC(=O)N4CCC5(CC4)c6c(C(CCOS(=O)(=O)c7ccc(cc7)C)C5)cccc6Br	36
+C1C2CC3CC(CC1C3)C2NC(=O)c4c(n(-c5ccc(cc5)C(=O)O)nc4)SC6CCCC6	1
+C1C2CC3CC(CC1C3)C2NC(c4cccc(N5CCN(CC5)C(OC(C)(C)C)=O)n4)=O	323
+C1C2CC3CC(CC1C3)C2NC(=O)c4nc(ccc4)N5CCNCC5	2
+C1C2CC3CC(CC1C3)C2NC(=O)c4c(n(nc4)C(C)(C)C)N5CCCC5	959
+C1C2CC3CC(CC1C3)C2NC(c4nc(N5CCN(CC5)CCC(=O)N)ccc4)=O	327
+C1C2CC3CC(CC1C3)C2OC(=O)N4CCC(CC4)(COCC(=O)O)c5ccccc5	4
+C1C2CC3CC(CC1C3)C2OC(N4CCC(CC4)(CO)c5ccccc5)=O	88
+C1C2CC3CC(CC1C3)C2OC(N4CCC(CC4)(COC)c5ccccc5)=O	21
+C1C2CC3CC(CC1C3N(CC(COc4ccccc4C(NCc5ccc(cc5)C6(N=N6)C(F)(F)F)=O)O)C)C2	14
+C1C2CC3CC(CC1C3N(C)CC(COc4ccccc4C(O)=O)O)C2	1
+C1C2CC3CC(CC1C3NC(N4CCC5(CC4)OCc6ccccc56)=O)C2	384
+C1C2CC3CC(CC1C3N(CC(O)COc4c(cccc4)C(=O)OC)C)C2	170
+C1C2CC3CC(CC1C3)C2OC(N4CCC(CC4)(c5ccccc5)C(=O)OC)=O	66
+C1C2CC3CC(CC1C3OC(NC(C(=O)OC)(Cc4ccc(cc4)O)C)=O)C2	544
+C1C2CC3CC(CC1C3OC(NC(C(=O)OC)(Cc4ccc(cc4)OC)C)=O)C2	65
+C1C2CC3CC(CC1C3OC(NC(C)(C(=O)O)Cc4ccc(cc4)OC)=O)C2	4
+C1C2CC3CC1CC(C2)(C3)C(O)CNc4ncnc5c4CCN(Cc6ccccc6)C5	40
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4c5ccc(nc5ccc4C)Cl	26
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4c5c(ccc4)C(OC=C5)=O	26
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4cccc5nc(ccc45)Cl	26
+C1C2CC3CC1CC(C2)(C3)CCOCCOCCO	481
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4cccc(N)n4	81
+C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(N)nn(-c5ncccn5)c4	597
+C1C2CC3CC1CC(C2)(C3)COS(=O)(=O)C	7
+C1C2CC3CC1(CC(C2)C3)COc4ccc(C#N)cc4Br	57
+C1C2CC3CC1CC(C2)(C3)COc4ccc(C#N)cc4C5(CCC5)O	251
+C1C2CC3CC1CC(C2)(C3)COc4ccc(C#N)cc4-c5cccnc5OC	305
+C1C2CC3CC1CC(C2)(C3)n4nnc(CSc5c(ccc(Cl)c5)Cl)c4	642
+C1C2CC3CC1CC(C2)(C3)NC(N4CC5(C4)CCN5S(=O)(=O)c6ccc(cc6)Cl)=O	92
+C1C2CC3CC1(CC(C2)C3)NCc4ccc(cc4)C=CC(=O)Nc5ccccc5N	1313
+C1C2CC3CC1(CC(C2)C3)NCc4ccc(cc4)C=CC(=O)O	127
+C1C2CC3CC1CC(C2)(C3)OCc4cc(F)c(cc4Cl)Br	1476
+C12CC3CC(C1)CC(C2)(C3)c4cc(Br)cc(C(c5ccccc5)=O)c4O	957
+C1C2CC3CC1CC(C2)(C3)c4cc(ccc4O)Br	957
+C1C2CC3CC1(CC(C2)C3)c4cc(cc(C(=O)c5ccccc5)c4O)-c6cccc(C=O)c6	241
+C12CC3CC(C1)CC(C2)(C3)c4cc(-c5cc(C=O)ccc5)cc(F)c4O	186
+C1C2CC3CC1(CC(C2)C3)c4c(ccc(c4)C#Cc5ccc(cc5)C(=O)N)OCOCCOC	1580
+C1C2CC3CC1(CC(C2)C3)c4c(ccc(c4)C#Cc5ccc(cc5)C(=O)Cl)OCOCCOC	82
+C12CC3CC(C1)CC(C2)(C3)c4ccc(c(C)c4)OCC(=O)OCC	1845
+C1C2CC3(CC(CC1(C(=O)C)C3)C2)O	6166
+C1C2CC3CC1CC(C2)(C3)C(O)CNc4ncnc5CN(CCc45)C(C6N(C(=O)OC(C)(C)C)CCC6)=O	10
+C1C2CC3CC1CC(C2)(C3)C(O)CNc4ncnc5CN(CCc45)C(C(Cc6ccccc6)NC(OC(C)(C)C)=O)=O	10
+C12CC3(CC(C1)CC(C3)C2)C(Nc4ccc(cc4[N+]([O-])=O)S(=O)(=O)NC(c5ccc(cc5)-c6ccc(cc6)F)=O)=O	26
+C1C2CC3CC1CC(C2)(C3)C(Nc4cc5c(nc(s5)NC(C)=O)cc4)=O	1973
+C1C2CC3CC1CC(C2)(C3)C(O)CNc4ncnc5CN(C(=O)C(Cc6ccccc6)N)CCc45	84
+C1C2CC3CC1CC(C2)(C3)C(CNc4c5c(ncn4)CNCC5)O	25
+C1C2CC3CC1CC(C2)(C3)CC(Nc4c5CCN(C(=O)c5ccc4)CCO)=O	6167
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4cccc5c4C=CN(C(CO)C(C)C)C5=O	1892
+C12CC3(CC(C1)CC(C3)C2)CC(Nc4c5c(nc(cc5)CCCN(C(OC(C)(C)C)=O)CCCO)ccc4)=O	587
+C1C2CC3CC1CC(C2)(C3)CC(=O)Nc4c5ccc(nc5ccc4)C#CCN(C(=O)OC(C)(C)C)CCCO	6168
+C1C2CC3CC1CC(C2)(C3)CC(Nc4c(C)ccc5nc(N6CC(CC6)OS(=O)(=O)C)ccc45)=O	7
+C1C2CC3CC1CC(C2)(C3)CCOCCOCCOS(=O)(=O)C	7
+C1C2CC3CC1CC(C2)(C3)CCOCCOCCN=[N+]=[N-]	133
+C1C2CC3CC1CC(C2)(C3)COc4cc(F)c(C#N)cc4Br	262
+C1C2CC3CC1CC(C2)(C3)COc4cc(F)c(C(NS(=O)(=O)N5CCC(OCc6ccc(cc6)OC)C5)=O)cc4Cl	258
+C1C2CC3CC1CC(C2)(C3)COc4cc(F)c(cc4Cl)C(=O)NS(=O)(=O)N5CCC(O)C5	1974
+C1C2CC3CC1CC(C2)(C3)COc4ccc(cc4-c5cccnc5OC)C(=O)N	216
+C1C2CC3CC1CC(C2)(C3)COc4c(cc(cc4)C#N)C5CCC5	564
+C1C2CC3CC1CC(C2)(C3)OCCOCCOCCOCCOCCCCN=[N+]=[N-]	967
+C1C2CC3CC1CC(C2)(C3)OCCOCCOCCOCCOCCCCN	18
+C12CC3CC(C1)CC(C2)(C3)OCCOCCOCCOCCOCCOS(=O)(=O)C	7
+C1C2CC3CC1CC(C2)(C3)c4cc(ccc4OC(C)C)CCN(C)C(C(F)(F)F)=O	782
+C1C2CC3CC1CC(C2)(C3)c4c(ccc(c4)CC[N+](=O)[O-])OC(C)C	364
+C1C2CC3CC1CC(C2)(C3)c4c(ccc(C=C[N+]([O-])=O)c4)OC(C)C	417
+C1C2CC3CC1CC(C2)(C3)c4cc(CCN)ccc4OC(C)C	157
+C1C2CC3CC1CC(C2)(C3)c4c(OC(C)C)ccc(CCNC(C(F)(F)F)=O)c4	659
+C1C2CC3CC1CC(C2)(C3)c4cc(ccc4O[Si](C)(C)C(C)(C)C)Br	154
+C1C2CC3CC1CC(C2)(C3)c4c(ccc(CCNC)c4)OC(C)C	318
+C1C2CC3CC1CC(C2)(C3)c4ccc(cc4)NC(=O)OC(C)(C)C	673
+C1C2CC3CC1CC(C2)(C3)c4ccc(cc4)NC(C(OCC)=O)=O	994
+C1C2CC3CC1CC(C2)(C3)c4ccc(cc4)N	78
+C1C2CC3CC1CC(C2)(C3)c4ccc(cc4)NC(=O)C(O)=O	1581
+C1C2CC3CC1CC(C2)(C3)n4nnc(CS(=O)(=O)c5c(Cl)ccc(Cl)c5)c4	6169
+C1C2CC3CC1CC(C2)(C3)n4nnc(CS(=O)c5c(Cl)ccc(c5)Cl)c4	357
+C1C2CCC(CC1N)N2Cc3ccccc3	733
+C1C2CCC(CC1C#[N+]CS(=O)(=O)c3ccc(cc3)C)S2	1141
+C12CCC(CC(C1)C#N)S2	881
+C1CC2CC(CC1N2Cc3ccccc3)NC(=O)C(C)C	68
+Clc1cc(cc(Cl)c1)COC(N2C3CCC2CC(C3)NC(CCCc4cnn[nH]4)=O)=O	66
+C1CC2CC(CC1N2c3nc(nc4c3c(-c5ccccc5)cs4)N6CC(CC6)C(=O)N)=O	86
+C1C2CCC(CC1c3n4c(c(c(-c5ccncc5)n4)I)ncc3)N2CC	183
+CC(C)(C)OC(=O)Nc1ccc(cc1OC)-c2c(-c3ccncc3)nn4c2nccc4C5CC6CCC(C5)N6CC	6170
+C1CC2CC(CC1N2C(OCC)=O)n3cc(cn3)-c4cnc(N)c(c4)-c5sc6ccccc6n5	1142
+C1C2CCC(CC1n3ncc(-c4cnc(N)c(c4)-c5sc6ccccc6n5)c3)N2C	3639
+c1cc(ccc1-c2nc3n(C4CCCCO4)ncc3c(N5CC6CCC(C5)O6)n2)NC(=O)C	345
+C1C2CCC(CN1c3nc(N4CCC(CC4)=O)nc(-c5ccc(cc5)N)n3)O2	1582
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3nc(Cl)nc(N4CC5CCC(C4)O5)c3cn2	3614
+C1C2CCC(CN1c3c4c(n(nc4)C5CCCCO5)nc(Cl)n3)O2	1846
+C1C2CCC(CN1c3nc(nc(NC(C)C)c3)-c4ccc(cc4)N)O2	0
+C1C2CCC(CN1c3nc(nc(NC(C)C)c3)-c4ccc(cc4)[N+](=O)[O-])O2	40
+C12CN(CC(CC1)O2)c3cc(Cl)nc(I)n3	2531
+C1C2CCC(CN1c3ccnc(n3)Nc4cnn(C)c4)N2C(NCC#N)=O	3640
+CC(C)(C)c1ccc(cc1)NC(N2C3CN(CC2CC3)c4ncccc4Cl)=O	326
+O=S(=O)(c1ccc(cc1)Cl)N2C3CCCC2CC(C3)=O	92
+C1C2CCCC(CC1C(OC)=O)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O	91
+C12CC(CC(CCC1)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O)C(=O)O	4
+FC(F)(F)CN1CCCN(CC1)c2ccc3N4CC(N(c3n2)C(=O)Nc5ccncn5)CCC4	2532
+C1C2CN(CC(CN1C(=O)NCC)C2)CCNC(Cn3c(-c4ccc(cc4)C#N)c(cn3)-c5ccc(cc5)C#N)=O	28
+C1C2CN(CC(CN1C(=O)Nc3ccccc3)C2)Cc4ccccc4	326
+C1C2CNCC(CN1C(Nc3ccccc3)=O)C2	25
+C1CCCCC1CC2(CC3C(C2)CN(C3)C(N(C)C)=O)C=O	6171
+C12CN(CC(CN(C1)C(=O)Nc3ccccc3)C2)CC(O)COc4cccc5c4cc(C#N)[nH]5	170
+c1cc(ccc1CN2CC3CN(CC(C2)O3)CCN(S(=O)(=O)C)CCOc4ccc(cc4)C#N)F	131
+C1C2C(CC1COc3cc4c(c(ccn4)Oc5c(cc(cc5)[N+]([O-])=O)F)cc3OC)CN(C2)C	113
+C1C2CN(CC2CN1c3cc(N(C)C)ncn3)C(=O)c4c(cc(OC)cc4)-n5nccn5	54
+C12C(CN(C1)c3nc(C)c(cn3)F)CN(C2)C(=O)c4c(cc(OC)cc4)-n5nccn5	117
+C1C2CN(CC2CN1C(c3c(-c4nnc[nH]4)cccc3)=O)c5nc(C)c(c(C)n5)C	117
+C1C2C(CN1C(=O)c3c(cc(OC)cc3)-n4nccn4)CN(C2)Cc5ccccc5	30
+CC(C)(C)OC(N1CCC2C(c3c(scc3)C2)C1)=O	23
+CC(C)(C)OC(N1CCC2Cc3c(C2C1)scc3)=O	23
+FC(F)(F)C(N1CC2c3c(C(C1)C2)cccc3)=O	520
+N(C=O)c1scc(C(=NOCc2ccon2)C(=O)NC3C(N4C3SCC=C4C(=O)O)=O)n1	471
+Nc1c(NC(=O)N(C)CCC)cc(cc1)C=2CCCC=2	0
+c12c(CCCCN1C(=O)C)cc(OCC3=CCN(C)CC3)c(Br)c2	3641
+C1N(CC=C(COc2ccccc2I)C1)C	3641
+C1CC(=CCN)c2c1cnc3OCCc23	3642
+C=1(CCN(c2c(cc(-c3cc(c(cc3)OCC)F)cc2)C=1)C=O)C(=O)OC	6172
+O=S(=O)(ON=C1CCc2ccccc12)c3ccc(cc3)C	3643
+C1C(C(=C(C1)OCC)Br)=O	6173
+FC(F)c1cccc(NC2=CC(CC2)=O)c1	6174
+c1cc(ccc1CBr)OCC2(CCCCC2)C	29
+C1CC(CCC1)C(NC(c2c(CBr)c(nc3ccc(F)cc23)-c4ccccc4)=O)C	223
+C1CC(CCC1)CCCCCCBr	552
+C1CC(CCC1)CN2C(C(=CC(C(OC)=O)=C2CBr)Br)=O	1093
+C1CC(CCC1)CN2C(C(=CC(C(=O)OC)=C2C)Br)=O	3644
+C1CC2(OCCO2)CCC1(C#N)c3ncc(Br)s3	617
+C1CC(CCC1N2C(=O)C(Br)=Cc3c(C)nc(nc23)N)OC	3645
+C1CC(CCC1O)N2C(=O)C(Br)=Cc3c(C)nc(nc23)N	3645
+C1CC(CCN1)(C2Cc3cc(Br)cc(F)c3O2)O	38
+C1CC(CCO1)CNC(c2cnc(-n3ncc(c3OC)Br)cc2)=O	3515
+C1CC(CCO1)CNc2ccc(c(n2)-c3c(cnc(F)c3)Cl)Br	203
+C1CC(CCO1)CNc2nc(-c3cc(F)ncc3Cl)c(nc2)Br	439
+C1CC1C(O)(c2cccc(Br)c2O)C	38
+C1CC1C(N2C(C)CCc3c2ccc(c3O)Br)=O	38
+C1CC1CCNc2nc3c(nc(Br)n3C4OCCCC4)c(n2)N	995
+C1CCCC1(c2cc(c(N)c(c2)OCC3CC3)Br)C(=O)OCC	38
+C1CC1NS(=O)(=O)c2c(n(c(Br)c2)CC3CCCCC3)C	653
+c1cc(ccc1-c2cnc(c(Br)c2)N)S(=O)(=O)NC3CC3	203
+C1CC2CCC(=O)N2CC1c3n4ccnc(Cl)c4c(Br)n3	794
+C1CC2CCOC(=O)N2CC1c3n4ccnc(Cl)c4c(Br)n3	794
+C1CCC(C1)CCCCCCCCBr	552
+C1CCC1N2c3c(C(=C(C2=O)Br)N)cnc(n3)SC	3489
+C1CCC1Oc2nc(c3nc(n(C4OCCCC4)c3n2)Br)N	995
+C1CCCC(n2c(Br)nc3c(nc(OC(CC)C)nc23)N)O1	995
+C1CCCC(n2c(Br)nc3c(nc(OC(CCC)C)nc23)N)O1	995
+C1CCCC(n2c(Br)nc3c(nc(OCC(C)CC)nc23)N)O1	995
+C1CCCC(n2c(Br)nc3c(nc(OCCCC)nc23)N)O1	995
+C1CCCC1N2C(C(=C(CBr)N2C)Cl)=O	3646
+C1CCCCN1N2CCc3c(c(C)c(Br)n3-c4ccc(cc4Cl)Cl)C2=O	653
+C1CN(C(CC1c2n3ccnc(Cl)c3c(Br)n2)=O)C	794
+C1CN(CCC1)CCCN2C=CC(=CC2=O)c3cnn4c(ncc4Br)c3	1975
+C1CN(CCO1)C(c2c(c3c(cc(c(c3)OC)OC)s2)CBr)=O	795
+C1CN(CCO1)c2nc(Cl)nc3c2nc(CBr)cc3	6175
+C1CNCCC1C2Oc3c(cc(Br)cc3F)C2	38
+C1COCCC1(c2ccc(c(c2)Br)N)C(OC)=O	38
+C1COCCC1(F)c2scc(CBr)n2	6176
+C1COCCN1Cc2c(c(N)n3c(c(-c4cnc5ccccc5c4)cn3)n2)Br	1583
+C1COCCN1c2ncc(n3cc(nc23)CO)Br	2533
+C1COCCN1c2c3n(c(cn2)Br)cc(C(OCC)=O)n3	2533
+C1CC(CCS1(=O)=O)(C#N)c2ccc(c(Br)c2)N	38
+C1Cc2c(NC1=O)c(F)cc(Br)c2	38
+C1N(CC1(F)F)c2c(Br)nc(C(OC)=O)cn2	439
+C1NC(=O)CC1c2cc(N)c(cc2Br)Cl	38
+c1c(Br)cc2CC(CC)Oc2c1	38
+BrC=1C(N2C(=NC=1C(C)Br)SC=C2C)=O	2521
+C1=C(Br)Cc2c(Cl)cccc12	6177
+CC(C)(C#N)c1cc(Br)c(OC)cc1Cl	38
+CC(C)(C)C(=Cc1c(Cl)cc(cc1)Cl)CBr	2534
+CC(C)(C)COS(=O)(=O)c1c(ccc(c1)[N+](=O)[O-])CBr	29
+CC(C)(C)Cn1c(nc2cnc(nc12)C#N)CBr	6178
+CC(C)(C)N1C(=O)C(CBr)=C(C=N1)Cl	6179
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)CBr	29
+CC(C)(C)NS(=O)(=O)c1cn(c(Br)c1)CC2CCCCC2	653
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1noc2cc(c(cc12)Cl)CBr	29
+CC(C)(C)OC(N(c1c2nc(C(F)(F)F)c(n2c(Br)cc1)Cl)C)=O	2535
+CC(C)(C)OC(=O)N(C)C1CN(C1)c2ncc(Br)n3c2nnn3	6180
+CC(C)(C)OC(=O)N(CC)CCCBr	552
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)CCBr	552
+CC(C)(C)OC(=O)N1CC(C)(C)c2cc(c(Cc3ccc(cc3)F)cc12)Br	38
+CC(C)(C)OC(=O)N1CCC(CC1)CCCN2C(c3cccc(c3N=C2CBr)OC)=O	6181
+CC(C)(C)OC(N1CCC(C1)n2c(c(c3c(N)ncnc23)-c4ccc(cc4)Oc5ccccc5)Br)=O	653
+CC(C)(C)OC(N1CCN(CC1)c2c(nc(Br)cn2)Cl)=O	439
+CC(C)(C)OC(=O)N1CCc2cc(c(F)c(c12)C(O)=O)Br	38
+CC(C)(C)OC(N1Cc2n(CC1)c(Br)nc2C(OC)=O)=O	866
+CC(C)(C)OC(=O)N1CCn2c(nnc2Br)C1	3647
+CC(C)(C)OC(NC1C(CCC1)Nc2ncc(C(F)(F)F)nc2Br)=O	439
+CC(C)(C)OC(NCC1Cc2cc(cc(Cl)c2O1)Br)=O	38
+CC(C)(C)OC(=O)NCc1cc(Br)c(N)nc1C	203
+CC(C)(C)OC(Nc1c(c(c(CBr)c(OC)c1)OC)Br)=O	29
+CC(C)(C)OC(=O)Nc1ccc(cc1)CBr	543
+CC(C)(C)OC(=O)Nc1sc2c(c(cc(c2)CBr)-c3cc(ccc3)[N+](=O)[O-])n1	543
+CC(C)(C)OC(=O)c1cc(c(cc1)CBr)OC	29
+CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(=C(Cl)C=C(C2=O)Cl)CBr	3646
+CC(C)(C)OC(c1c(-c2ccc(cc2)CBr)cccc1)=O	29
+CC(C)(C)OC(=O)n1c(C(=O)OCC)cc2cc(cc(CBr)c12)Cl	223
+CC(C)(C)OC(n1ccc2cccc(CBr)c12)=O	223
+CC(C)(C)OC(C(=O)OC)c1nc(sc1Br)C	617
+CC(C)(C)OC(C1C(N(c2c(CC1)cc(Br)c(OC)c2)CC)=O)=O	38
+CC(C)(C)OC(C=1N2C(C(C2S(CC=1CBr)=O)NC=O)=O)=O	6182
+CC(C)(C)OC(COc1cc(Br)cc(c1N)[N+]([O-])=O)=O	38
+CC(C)(C)OC(=O)N(c1ccc(cc1)C#N)c2ccc(c(CBr)c2)Br	29
+CC(C)(C)OC(N1C(C(c2ccccc2)O)CCC1Cc3ccc(N)c(Br)c3)=O	38
+CC(C)(C)OC(N1CCC2(CC1)c3n(-c4c(O2)cc(cc4)CBr)c(cc3)C#N)=O	29
+CC(C)(C)OC(=O)N1CCCC(C1)Cn2c3nc(ncc3c(c2-c4c(cccc4Cl)Cl)Br)Cl	3648
+CC(C)(C)OC(N1CCN(CC1)c2cnc(Br)cc2)=O	408
+CC(C)(C)OC(N1CCN(CC1)c2nc(N)c(cc2)Br)=O	203
+CC(C)(C)OC(=O)N1CCOC(Cc2ccc(c(Br)c2)O)C1	38
+CC(C)(C)OC(N1CCc2n(C3CCOCC3)nc(N4CCCc5c4cc(c(Br)c5)C#N)c2C1)=O	38
+CC(C)(C)OC(N1CCc2c(CC1)oc(Br)c2)=O	1314
+CC(C)(C)OC(=O)NC(CC=C(F)F)COc1cc2N(C(=O)c3c(-c2cc1Br)ccnc3C)C	38
+CC(C)(C)OC(NC(Cc1ccc(cc1)C(=O)CBr)CCO)=O	3649
+CC(C)(C)OC(=O)NC(c1c(cc(N)c(Br)n1)Br)Cc2cc(F)cc(F)c2	408
+CC(C)(C)OC(NCCOc1c(OC)cc(-c2ccc3n(c(Br)c(C)n3)n2)cc1)=O	1975
+CC(C)(C)OC(=O)Nc1c(C(OC)=O)cc(s1)Br	407
+CC(C)(C)OC(=O)Nc1c(F)c(ccc1OCc2ccccc2)Br	38
+CC(C)(C)OC(=O)Nc1cc(OC)c(c(c1Br)OC)C	38
+CC(C)(C)OC(Nc1c(c2c(ccc(c2)C#N)c(OCc3ccccc3)c1)Br)=O	38
+CC(C)(C)OC(=O)Nc1c(Br)c2c(ccc(c2)S(=O)(=O)C)cc1	38
+CC(C)(C)OC(Nc1ccc2c(c1Br)cc(cc2)C(=O)C)=O	38
+CC(C)(C)OC(C(OC)=O)c1c(n2nc(c(Br)c2nc1C)-c3ccccc3)Cl	1976
+CC(C)(C)OC(c1ccc(cc1NC(=O)c2c(ccc(CBr)c2)OCOC)-c3ccccc3)=O	29
+CC(C)(C)OC(c1c(c2c(c(Br)ccc2o1)O)C)=O	38
+CC(C)(C)OC(n1c2c(cc1)c(Cl)c(CBr)cc2)=O	29
+CC(C)(C)OC(=O)n1ccc(n1)CBr	299
+CC(C)(C)[Si](C)(C)OC1CN(CC1Nc2c(nc(-c3ccc(nc3OC)C(C)C)c(C)c2)Br)C(OCc4ccccc4)=O	408
+CC(C)(C)[Si](C)(C)OCC(N1c2c(cc(c(n2)OC)CBr)C(=O)C(=C1)C(OCC)=O)C(C)C	223
+CC(C)(C)[Si](C)(C)OCCOc1cc(cc(CBr)c1)C	29
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1Cl)CBr	29
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c2c(c(C(NC3CCC(CC3)(F)F)=O)nn2-c4ccc(cc4Cl)Cl)CBr	3650
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-n2c(c(C(=O)NC3CCC(CC3)(F)F)nc2-c4ccc(Cl)cc4Cl)CBr	3651
+CC(C)(C)[Si](C)(C)Oc1cccc(c1)-c2nc(N3CCOCC3)nc4n(C(C)CC)c(nc24)Br	995
+CC(C)(C)c1cc(CBr)cc(c1)Cl	29
+CC(C)(C)c1cc(CBr)nc(Cl)c1	299
+CC(C)(C)c1onc(N)c1Br	2536
+FC(F)(F)Sc1cc(C(C)(C)C)cc(Br)c1N	38
+CC(C)(C)c1cc(Br)ccc1O	38
+CC(C)(C)c1ccccc1Oc2nc(Br)ccc2N	408
+CC(C)(C)c1nc(sc1Br)N	617
+CC(C)(c1cc(Br)c(c(C=O)c1)O)C(OC)=O	38
+c1cc(ccc1N2C(=Nc3c(ccc(c3Br)N)C2=O)C(C)C)Cl	38
+CC(C)C=1Oc2c(c(N)ccc2C(C=1c3ccc(cc3)Cl)=O)Br	38
+CC(C)CCCCCCBr	552
+CC(C)CN1C(=O)n2cnnc2-c3[nH]c(nc13)Br	866
+c1cc(ccc1)-c2nc(NCC(C)C)c3n(ccn3)c2Br	2533
+CC(C)COc1c(cc(cc1)Cl)CBr	29
+CC(C)N1C(C=CC(c2nc(c(nc2-c3ccccc3)N)Br)=N1)=O	439
+CC(C)Oc1ccc(cc1)-c2cc3c(Br)c([nH]c3cc2)C(=O)OCC	986
+CC(C)[Si](C(C)C)(C(C)C)n1c(c(-c2ccncc2)c(c1)Br)-c3ccc(cc3)F	986
+CC(C)c1c(n2ncc(Br)c2nc1C)Cl	1976
+CC(C)c1cc(Br)ccc1O	38
+CC(C)c1c(c[nH]c1Br)C(=O)OC	653
+CC(C)c1c(cc(C(OC)=O)[nH]1)Br	986
+CC(C)(Br)c1ccc2C(c3ccccc3C(c2c1)=O)=O	6183
+CC(C)c1nc(c(-c2c(nc(c(Br)n2)NC(C)COC)Cl)cc1)OC	439
+CC1(C)OB(OC1(C)C)c2c(cccc2CBr)C	29
+CC1(C)OB(OC1(C)C)c2c(CBr)cc(Cl)cc2	29
+CC1(C)C(=O)N2CC(CCC2C1)c3n4ccnc(Cl)c4c(Br)n3	794
+CC1(C)Oc2c(cc(Br)c(C)c2)NC1=O	38
+CC1(C)c2cc(c(cc2C(C)(C)CC1=O)C=Cc3cc(C)c(C(O)=O)cc3)CBr	29
+CC1(C)CC(=O)c2cc(c(cc2O1)OC)Br	38
+CC1(C)COC(c2c(c(OCC)no2)CBr)=N1	6184
+CC1(C)C(C)(C)OB(O1)c2c3c(ccc2CBr)cccc3	29
+c1cc(ccc1C#N)C2=C(C(=O)C(C)(C)O2)Br	6185
+CC1(C)c2cc3[nH]c4ccc(Br)cc4c3cc2-c5ccccc15	38
+CC1(C)CCc2cc(c(cc12)Br)OC	38
+CC1(C)c2c(Br)c(c(C(C)=O)cc2CCC1)O	38
+CC1(C)c2cc(c(cc2CCC1=O)Br)OC	38
+CC1(C)CCC(C)(C)c2cc(c(cc12)Br)CBr	29
+C(Br)(C(c1ccc2occc2c1)=O)C	2537
+CCCCn1c(Br)nc(c1N)C(=O)N	866
+CCCN(CCC)c1ccc(Br)c2NC(=O)N(C)c12	38
+c1(OCCC)c(-c2nc(c3c(n2)n(nc3C)CCC)O)cc(cc1)Br	38
+c1(Br)c(C)nc(C(OCC)=O)s1	617
+CCOC(=O)c1cn(c(Br)n1)CC=C	866
+CCOC(c1cccnc1CBr)=O	299
+CCOC(c1cc(Br)[nH]c1C)=O	653
+c1cc([nH]c1Br)C(=O)OCC	653
+c1(c(Cl)nccc1C(OCC)=O)CBr	223
+CCc1noc(N)c1Br	2536
+c12cnc(cc1n(CC)cc2Br)C(=O)OC	6186
+CN(C)C(c1c(ccs1)C)Cc2c(ccc(c2)Br)N	38
+CN(C)C(c1oc2c(F)c(c(C)c(c2n1)C#N)C(CBr)=O)=O	3649
+O(C)P(OC)(=O)Cc1c(CBr)nc2c(cc(cc2)Cl)c1	299
+COc1cccc([N+]([O-])=O)c1CBr	29
+COc1cccc(Cl)c1CBr	29
+c1c(OC)c(Cl)ccc1CBr	29
+COc1cc2OCCC(=O)c2cc1Br	38
+C(c1cc(OC)ccc1Br)Br	29
+C(Br)c1ccc(OC)cc1[N+]([O-])=O	29
+COc1ccc(-c2c3c(cc(OC)c(c3)OC)nc(CBr)c2C(C)=O)cc1OC	299
+COc1cc2C(Br)=CN(c3cccc(C#N)c3)C(c2cc1)=O	2538
+c1(c(OC)ccc(Br)c1OC)-c2ccccn2	38
+C[Si](C)(C)CCOCn1c(c(Cl)c2c(O)nncc12)Br	2539
+C[Si](C)(C)CCOCn1c(nc(c1)C(OC)=O)Br	866
+c1c(cc(c(Nc2c(ncc(CNC=O)n2)C(=O)OC)c1)F)Br	6187
+c1c(C#N)ccc2c1c(c(c(CBr)n2)C(=O)OC)Cl	299
+C(c1cccc2ccsc12)Br	795
+c12c(nn(C)c1ncnc2Cl)CBr	299
+Cc1nccn2c(ccc12)Br	6188
+C(c1cc(C#N)cc(-c2onc(n2)-c3ncccc3)c1)Br	29
+Clc1cc(CBr)c(OCC#N)c(C)c1	29
+c1(cc(cc(C)c1[N+](=O)[O-])CBr)C	29
+c1cc(Br)c(cc1CBr)C(=O)O	29
+c1c2c(nc(-c3cc(c(cc3)CBr)-c4cc(ccc4)C#N)o2)ccc1	29
+C(c1ccc(cc1F)C#N)Br	29
+C(c1ccc(cc1F)C(=O)OC)Br	29
+c1c(CBr)cc2c(occ2)c1	29
+C(c1cccc(c1Br)C#N)Br	29
+c1c(ccs1)-c2ccccc2CBr	29
+Clc1c(c(nc(c1)Cl)CBr)C#N	299
+Cc1nc2c(c(N)c1C(=O)OCC)c(c(Br)s2)-c3cc(ccc3)OC	407
+Cc1nc2ccc(Cl)cc2cc1CBr	223
+c1(F)cc2c(cc1)nc(c3c(nc(Br)n23)C)C	6189
+Cc1nc2c(c(C)c(Br)s2)c(N)c1C(=O)OCC	407
+Cc1nc(Br)c(nc1-c2ccc(Oc3nccc4c3cco4)cc2C)N	439
+ClC(Cl)=C(Cl)c1cc(CBr)cc(c1)C	29
+C(c1ccc(C#N)cc1Cl)Br	29
+c1(cc(Br)cnc1N)OCc2c(Cl)ccc(F)c2Cl	203
+C(c1cc(c(Cl)cc1C#N)[N+]([O-])=O)Br	29
+c1(c(c(Br)cc2CCN(CCc12)C(OCC)=O)N)Cl	38
+Clc1cc(cc(CBr)c1)Br	29
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(CBr)c2F)c1	29
+Nc1c(cc(Br)c(Cl)c1)[N+]([O-])=O	38
+Nc1cc(F)c(Br)c(Cl)c1	38
+C(c1ccc(OC(C)=O)cc1Cl)Br	29
+C(c1cc(cc(Cl)c1C(=O)OC)Br)Br	29
+c1c(Cl)c(c(cc1C(C)(C)O)Cl)Nc2nc3ccncc3c4c(O)ncc(c24)Br	3376
+Clc1cc(ccc1)Nc2ncc(Br)s2	617
+Clc1cc2c(c(C(=O)OCC)sc2cc1)CBr	795
+c1(Cl)ccn2c(ncc2Br)c1	973
+Clc1ccc(C(c2oc3cc(ccc3c2CBr)Br)=O)c(Cl)c1	6190
+Clc1ccc(CC)c(-c2[nH]c(-c3c(cnc(N)n3)Br)cc2C(=O)OCC)c1	1583
+Clc1cc(Br)c(N)c([N+]([O-])=O)c1	38
+Clc1ccc(c(Cl)c1)C2C(=C(N=C(c3ncccc3F)N2)CBr)C(=O)OCC	1093
+N1c2c(cc(Br)c(Cl)c2)CCC1=O	38
+Clc1ccc2c(c1)n(c(Br)c2Sc3cc(ccc3)C(=O)OCC)-c4cn(CCC)nc4	2539
+Clc1ccc2cnc(CBr)cc2c1CC(OC)=O	299
+Clc1cccc(-c2[nH]nc(c2Br)N)c1	875
+Clc1cccc(Oc2cc(ccc2OC)CBr)c1	543
+Clc1cccc(c1)-c2c(ccc(CBr)c2F)OC	543
+FC(F)(CCCCCCCCCCCCCCCC)C(=C)CBr	2534
+FC(F)(F)C(N1CC(C)c2cc(Br)c(cc2CC1C)OC)=O	38
+FC(F)(F)C(=O)N1CC(C)c2cc(c(OC)cc2CC1)Br	38
+FC(F)(F)C(NNc1ncc(nc1Cl)Br)=O	439
+FC(F)(F)C(N1C(=O)C(=C(C(=C1)Br)OC)C#N)C2CC2	6191
+FC(F)(F)C1(CC(C)(C)c2c(cccc2)CBr)OC1	29
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(CBr)c(c3)Cl	29
+FC(F)(F)C=1N(C(=O)N(C(C=1)=O)c2ccc3snc(-c4sccc4CBr)c3c2)C	795
+FC(F)(F)COc1cc(ccc1F)CBr	29
+FC(F)(F)COc1nc(Br)c(N)cc1Cl	408
+FC(F)(F)COc1c(CBr)cccc1Cl	29
+FC(F)(F)COc1cc(cc(Br)c1N)C(C(OC)=O)CC2CCC2	38
+FC(F)(F)Oc1ccc(cc1Br)C=O	38
+FC(F)(F)Sc1cnc(c(Br)c1)NC	203
+FC(F)(F)c1c(Cl)cccc1CBr	29
+FC(F)(F)c1c(c(C(=O)OC)ccc1)CBr	29
+FC(F)(F)c1c(Br)c(-c2ccc(cc2)-c3cc(ccc3)S(=O)(=O)C)n(CC(OCSC)=O)n1	875
+FC(F)(F)c1cc(cc(c1)CBr)-c2ccc(cc2)C#N	543
+FC(F)(F)c1cc(-c2nc3ccc(CBr)cc3s2)ccc1-c4ccccc4	29
+FC(F)(F)c1c(cc(Cl)c(c1)N)Br	38
+FC(F)(F)c1c2c(O)c(Br)ccc2nc(O)c1	38
+FC(F)(F)c1cc(cc(c1)C#N)Oc2c(ccc(CBr)c2F)Cl	29
+FC(F)(F)c1cc([N+]([O-])=O)ccc1-c2ncc(CBr)cc2	223
+FC(F)(F)c1cc(c(c(CBr)c1)I)[N+](=O)[O-]	29
+FC(F)(F)c1c(c(Cl)cc(N)c1)Br	38
+FC(F)(F)c1cc(-c2oc(cn2)CBr)ccc1	3652
+FC(F)(F)c1c(CBr)ccc(C(=O)OC)c1	29
+FC(F)(F)c1cc(Nc2cc(cc(n2)Br)CBr)ncc1	29
+FC(F)(F)c1cc2c(Cl)c(C(OC)=O)c(CBr)nc2cc1	299
+FC(F)(F)c1c(cc(c(Br)c1)N)F	38
+FC(F)(F)c1ccc(cc1)-c2c(ccc(c2)CBr)C(OC)=O	29
+FC(F)(F)c1ccc(cc1)-c2c(Br)oc(CCOC(=O)C)n2	6192
+FC(F)(F)c1ccc(cn1)-n2c(Br)nc(c2-c3c(F)cc(cc3F)OC)Cl	866
+FC(F)(F)c1cc(-c2nc(CBr)ccc2OC)ccc1	299
+FC(F)(F)c1cc(ccc1)-c2nc3ccc(S(=O)(=O)C)cc3c(C(OC)=O)c2CBr	223
+FC(F)(F)c1cccc(c1)-n2c(C)c(Br)nc2OCC	984
+FC(F)(F)c1cc(ccc1)N2C(=C(N=C(C(=O)NC)C2=O)Br)C	6193
+FC(F)(F)c1cc(ccc1)-c2n3ncc(c3ncc2)Br	1976
+FC(F)(F)c1c2nc(c(n2ccc1)-c3cc(Oc4cccc(S(=O)(=O)C)c4)ccc3)CBr	3651
+FC(F)(F)c1cn2c(cc1)c(Br)c(-c3cc(F)ccc3)n2	6194
+FC(F)(F)c1cn2c(c(ccc2Br)NC)n1	2535
+FC(F)(F)c1cnc(NC)c(Br)c1	203
+FC(F)(F)c1cn2c(c(ccc2Br)N)n1	2535
+FC(F)(F)c1nc2c(c(Br)ccc2OC)[nH]1	6195
+FC(F)(F)c1nn(C(C)C)c(OC(F)F)c1CBr	3650
+FC(F)(F)c1n2CCC(Cc2nn1)c3nc(c4c(Cl)nccn34)Br	794
+FC(F)(F)c1nnc2n1CCN(c3nc(c4c(Cl)nccn34)Br)C2	794
+FC(F)Oc1c(c(-c2cc(CBr)c(cc2)Cl)nn1C)Cl	29
+FC(F)c1nc(Br)c(N)cc1	408
+C1(=C(N=C2N(C1=O)C=C(F)C=C2)CCl)Br	2521
+c1(c(ccc(c1)-c2cc(ccc2)OC)CBr)F	29
+[N+]([O-])(=O)c1cc(F)c(cc1F)CBr	29
+c1(cc(c(F)cc1C(OC)=O)CBr)F	29
+CCOC(c1c(cc(c(F)c1)CBr)F)=O	29
+Fc1cccc(F)c1COc2c3n(c(Br)c(C)n3)ccc2	973
+N#Cc1c2c(c(O)nc1)cc(Br)s2	6196
+N#Cc1ccccc1Oc2c(O)cc(c(Br)c2)C	38
+N#Cc1csc(CBr)n1	3653
+C(Br)c1ccc2c(nc(NC(C)=O)cc2)c1	29
+C(c1cc(N2C(=CC(=C(Br)C2=O)OCc3ccc(cc3CNC(OC)=O)F)C)c(C)cc1)(=O)O	2540
+c1c(ccc(COC2=C(Br)C(N(C(=C2)C)c3c(C)ccc(C(=O)O)c3)=O)c1F)F	2540
+N1(C=CC=C(C1=O)C(=O)NC(CC(OC)=O)c2sc(cc2)Br)Cc3ccc(F)c(F)c3	407
+N1=NN(c2c(c([N+]([O-])=O)ccc2)CBr)C(=O)N1C	29
+N1=NN(c2cccc(Br)c2CBr)C(=O)N1C	29
+N1=NN(c2cccc(Cl)c2CBr)C(=O)N1C	29
+N1=NN(c2cccc(I)c2CBr)C(=O)N1C	29
+N1=NN(c2c(c(ccc2)OC)CBr)C(=O)N1C	29
+N1=NN(c2c(c(ccc2)OCC)CBr)C(=O)N1C	29
+c1(cc2NC(CCc2cc1Br)=O)F	38
+c1(c(N)ccc(Br)c1F)C#N	38
+Nc1c(F)cc(Br)cn1	203
+c1(cc2c(s1)C(NCC2)=O)-c3cc(Br)cnc3N	203
+Nc1c(C(=O)OC)nc(Br)c(F)c1	408
+c1(C)cc(N)c2OCCc2c1Br	38
+c1(C)cc(N)c2c(CC(C)O2)c1Br	38
+Nc1cc(C)c(cc1[N+]([O-])=O)Br	38
+Nc1cc(c(cc1Br)Cl)OC	38
+Nc1c(c2n[nH]cc2cc1Br)C(=O)OC	38
+Nc1ncc(Br)c(C#N)c1	203
+Nc1ncc(Br)c(C)n1	1583
+Nc1ncc(Br)c(Cl)c1	203
+C(c1c(OC(C)=O)cc([N+]([O-])=O)cc1)Br	29
+O(C)c1ncc(Br)c(Cl)c1	203
+c1(cc(sc1OC)C(=O)OC)Br	2541
+O(CC)C(C(N1C(COc2c1cc(c(C)c2)Br)=O)C)=O	38
+O(CC)P(OCC)(=O)C(F)(F)c1ccc(CBr)cc1Br	29
+c1c(OC(C)=O)c(c2c(c1)C(=C(C(=O)O2)CBr)C)C	6197
+O(c1cccnc1C(=O)CBr)C	6198
+C1COC2(CCC(CC2)Nc3c(O)cc(Br)cc3)O1	38
+C1CC(CCC12OCCO2)c3nc(c(N)nc3)Br	439
+O=C(C)OCC(COC(=O)C)c1ccc(c(c1)Br)N	38
+C1(=O)c2c(C(=O)N1c3ccc(CBr)c(F)c3)cccc2	29
+O=Cc1cc(cc(c1O)Br)C(=O)OC	38
+c1(ccc2C(=O)N(C=C(c2c1)Br)c3cc(c(cc3)C=O)OC)OC	2538
+O=Cc1cc(c(cc1N)OC)Br	38
+O=S(=O)(c1ccc(cc1CBr)C#N)CC	29
+O=S(=O)(Cl)c1c(cc(Br)cc1)CBr	29
+O=S(=O)(N(COC)c1cccc(-c2nc(sc2Br)N)c1F)c3c(F)ccc(F)c3	617
+O=S(=O)(c1cc2c(Br)cnn2cc1)N(C3CC3)c4ccc(C#N)cn4	3654
+O=S(=O)(Cl)c1cc2n(cc(Br)c2cc1)C	986
+O=S1(=O)Cc2cc(ccc2N1C)Br	38
+Oc1c2sccc2c3c(Br)c(OC)c(c(c3n1)F)F	1977
+CCOC(c1cc(Br)c(C)[nH]1)=O	986
+c12c(c[nH]c1ncnc2Cl)Br	3648
+Brc1c2cccnc2[nH]c1	1978
+Nc1c(cc(Br)c(-c2ncco2)n1)[N+](=O)[O-]	203
+C(c1cc(-c2nc3cccc(c3o2)C(OC)=O)ccc1)Br	29
+n1ccc(cc1-c2c(Br)n(CCc3ccccc3Cl)cn2)C#N	984
+n1c2n(c(c1-c3cc([N+]([O-])=O)c(C)cc3)Br)nc(OC)cc2	1975
+Nc1c(cc(Br)c(-c2cccnc2)n1)[N+](=O)[O-]	203
+c1(C(=O)O)cc(-c2n(C)ncc2Br)c(Cl)s1	875
+C(Br)c1c(F)ccc([N+]([O-])=O)c1	29
+C(c1ccc(cc1Br)C(=O)OC)Br	29
+c1(CBr)c(ncc(Br)c1)C(=O)OC	223
+c1(cc(-c2cnc(OC)c(OC)c2)cc(c1C(=O)OC)CBr)C	29
+C(Br)c1ccc(Cl)c(Oc2c(c(F)cc(c2)Br)Cl)c1F	29
+c1(CCCC)[nH]c(c(C=O)n1)Br	984
+c1(C=O)cc2c(Br)n[nH]c2cc1	6199
+O=Cc1cc(cc(C(=O)O)c1)Br	38
+C(Br)c1cc(cc(C)c1OC)Br	543
+c1(cccc(Cl)c1COc2cc(cnc2N)Br)Cl	203
+c1(Cl)cccc(Cl)c1N2C=C(Br)c3c(cnc(SC)n3)C2=O	3655
+c12n(c(Cl)cc(n1)Cl)ncc2Br	1976
+Fc1cc(cc(F)c1Br)N	38
+C(C(Br)c1cccc(F)c1)(OC)=O	2542
+Nc1ccnc(Cl)c1Br	203
+Nc1c(Br)nc(-c2cc3cnn(C)c3cc2)cc1	408
+c1(OC)cc(CBr)cc(Br)c1	543
+c1(cc(cc(OC)c1CBr)C#N)OC	29
+C(Br)c1ccc(Cl)c(Oc2cc(cc(Br)c2)C#N)c1F	29
+C(c1ccc([N+]([O-])=O)cc1Cl)Br	29
+C(Br)c1ccc(OCC)cc1[N+]([O-])=O	29
+c1([N+]([O-])=O)cccc(-c2nc3c(o2)ccc(CBr)n3)c1	299
+c1(c(-c2ccncn2)cc(Br)c(n1)N)-c3occc3	203
+c1([N+]([O-])=O)cccc(c1CBr)Br	29
+Nc1c(C#N)c(C)c(Br)cn1	203
+c1c(cc(c(F)c1)C23COC(C)C2CSC(N)=N3)Br	6200
+COc1cnc2ccc(c(c2n1)CBr)F	223
+c1(O)c(cc(cc1F)Br)C=O	38
+Ic1c(CBr)cc(Br)cn1	223
+c1(ccc([N+]([O-])=O)c(c1C(=O)OC)CBr)Br	29
+C(c1cccc(c1C(=O)OC)Br)Br	29
+C(Br)c1cccc([N+]([O-])=O)c1Cl	29
+c1(c(F)ccc(Br)c1F)CBr	29
+C(Br)c1cccc([N+]([O-])=O)c1F	29
+c1(O)c(F)cc(cc1C#N)Br	38
+O(C)c1c(c(c(C(=O)O)cc1Br)O)F	38
+c1(c(cc(c(CBr)c1)C(=O)OC)[N+]([O-])=O)OC	29
+CCOC(c1c2c(c(CBr)cs2)c(Cl)nc1)=O	795
+c1(cc(cs1)-c2n(C)ncc2Br)C(=O)OC	875
+c1(cc(-c2c(Br)[nH]c(CC)n2)ccc1F)C	984
+c1(cc(CNc2nc(F)c(cc2)Br)cnc1OC)F	203
+O(C)c1c(C(=O)C)cc(Cl)c(C)c1Br	38
+c1(cc(F)ccc1)C2=CC(Oc3cc(ccc23)CBr)=O	29
+c1(Cl)cc(cc(Cl)c1CBr)Br	29
+c1(cc2OCCC(C(c2cc1)=O)Br)N3CC(CNC(C)=O)OC3=O	2537
+c1(c(c2c(cc(OC)cc2)cc1)Br)O	38
+c1(ccc(cc1F)CBr)C(=O)O	29
+c1c(cc(c(N)c1)Nc2cc(F)c(cc2)C(=O)OCC)Br	38
+c1(ccc(OC)cc1-c2nc3c(cccc3CBr)o2)OCOC	223
+c1(ccc(cc1Br)F)C2C(=C(N=C(c3sc(OC)cn3)N2)CBr)C(=O)OCC	1093
+c1c(nc(CC)c(c1)Br)N	203
+c1(cccc(F)c1)CN2C=CC(O)=C(Br)C2=O	2540
+c1(cccc(N=C2N(C=C(Br)S2)COC)n1)C(=O)OC	6201
+c1c([N+](=O)[O-])cc(cc1Br)[N+](=O)[O-]	38
+c12ccc(Br)c(c1cccc2)O	38
+c12ccccc1c(O)ccc2Br	38
+c1cc(c(cc1Br)CC)OC	38
+c1c(c(ncc1Br)N)Cc2ncccc2	203
+Clc1ccc(F)c(c1C(C)Oc2cc(Br)cnc2N)Cl	203
+Brc1sc(cc1)CCCCC	407
+o1c(Br)cc(c1C)C(=O)OC	1314
+c1(ccsc1CNC(=O)C)CBr	795
+c1(CO)cc(Br)sc1Cl	407
+C(C)OC(c1cn2ncc(C#N)c(Cl)c2c1CBr)=O	223
+Cc1nc(c2ccc(OC)cc2c1Br)O	203
+c1(nc(N)c2nc(n(C3CCCCO3)c2n1)Br)NC(CCC)C	995
+c1(cccc(CBr)n1)C(=O)OC	299
+n1c2c(occ2)ccc1CBr	299
+c1cc(Br)c2c3N(C(Nc13)=O)C(c4ncccc4)(C(=O)N)CO2	38
+c1(ncccc1)N2C=C(Br)C=CC2=O	6202
+c1c(Br)cc2c(N(CCC2)C)c1	38
+BrC=1c2n[nH]c(c2C(N(c3c(cccc3)C)C=1)=O)N	3655
+C(c1csc2cc(Cl)c(F)cc12)Br	795
+c12c(c(Cl)c(C(=O)OC)c(n1)CBr)cccc2	299
+c1(C)c2c(c(c(c(n2)O)C)C)c3OC(CBr)Cc3c1	6203
+c1c(c(O)c2c(ccc(n2)OC)c1Br)F	1977
+c1cc2scc(Br)c2cc1CO	2541
+c12nc(SC)ncc1cc(Br)c(O)n2	203
+Cc1nc2nc(ncc2cc1Br)NCCOC	203
+c1(c2c(c(cn1)Br)ncnc2)O	3656
+n1cc2ccc(C(=O)O)cc2c(Br)c1	203
+CCCCC1C(c2c(C1)c(c(O)c(F)c2)Br)=O	38
+c1cc2c(cc1F)c(cnc2N)Br	203
+C(Br)c1ccc2cccc(Br)c2n1	299
+n1c2c(ccc1CBr)cc([N+]([O-])=O)cc2	299
+c1cccc2ccc3c(cc(c4ccccc34)CBr)c12	29
+c12CCNc1c(F)cc(Br)c2	38
+c1(c(Cl)cc2n(c(Br)nc2c1)C3CC(C(C3OC(=O)C)OC(=O)C)COC(=O)C)Cl	3570
+c1c2c(ncc1CBr)sc(n2)-c3c([N+]([O-])=O)cccc3	223
+c1c(-c2cc(CBr)ccc2)csc1	29
+c1(Br)cccc(Br)c1CBr	29
+C(Br)c1c(cc(Br)c(C(=O)O)c1)F	29
+c1c(C#N)ccc2C(C(CCc12)Br)=O	2537
+C(Br)c1cccc(C)c1Cl	29
+c1(C)cc(cc(C)c1Oc2c3c(nc(Nc4ccc(cc4)C#N)n2)c(cn3C)Br)C#N	6204
+C(c1c(Br)c(C)cc(OC(C)=O)c1)Br	29
+COc1nc2c(-c3ccc(CBr)cn3)ccnc2cc1	223
+c1cc(Br)ncc1CBr	223
+c1cc(ncc1CBr)N2CCCC2=O	223
+c1c(CCCBr)c(F)c(Cl)cc1	552
+c1c(-c2ccccc2Cl)sc(n1)CBr	3653
+c12c(c(Br)ccc1)cc(Cl)nc2Cl	38
+c1c(Br)c(F)c(C#N)c(F)c1	38
+c1cc(CBr)c([N+]([O-])=O)cc1I	29
+c1c(NC(C)=O)c(cc2C3=C(C(CCC3(CCCC)Cc12)=O)Br)F	6205
+c1c(OC(CBr)=CC(OCC)=O)c2c(cccc2)cc1	3657
+c1(Oc2ccc([N+]([O-])=O)cc2Cl)cccc(C(=O)OC)c1CBr	29
+C(c1cc(c(C#N)cc1Br)F)Br	29
+c1c(c(C#N)cc(Br)c1O)F	38
+c1(F)c(Cl)cc(c(O)c1Br)C(=O)C	38
+n1c(c(Br)cc(c1N)[N+]([O-])=O)-c2c(cccc2)F	203
+c1c(cc(c(CBr)c1)C(=O)OC)Br	29
+c1c(cc(CBr)c(C(=O)OC)c1)Br	29
+c1c(cc(CBr)c(Cl)c1)Br	29
+c1c(cc(CBr)c(I)c1)Br	29
+c1c(cc(CBr)cc1)C(NC)=O	29
+c1c(cc(CBr)cc1F)Br	543
+c1c(cc(c(CBr)c1)I)Br	29
+c1c(cc(c(NC2=C(C(=O)OC)C=C(C(N2C)=O)Br)c1)F)Br	6206
+O1c2cc(c(Br)cc2CC1)Br	38
+c1c(cc2ccc(nc2c1)CBr)Br	299
+n1c(cccc1CBr)F	299
+Cc1c(Br)n2c(n1)ccc(Cl)n2	1975
+c1c2c(ccc1)CC(C2Nc3nc(c(nc3CC)Br)CC)O	439
+c1c2c(CBr)ccc(F)c2oc1	29
+COc1cc2c(c(ncc2Br)O)cc1	203
+c1cc2c(CCCN2)cc1Br	38
+c12ccc(cc1c3ccccc3n2C)Br	38
+c1cc2c(cc1CBr)c(Cl)ncc2	29
+c1c(c(OC)cc(c1)-c2nc3ccccc3o2)CBr	29
+c1cc2ccc(nc2c(CBr)c1F)OC	223
+c1cc2c(c(c1OC)Br)ccc(n2)C	1977
+C(C)OC(c1nc(Br)c2ccccn12)=O	6207
+CCOC(c1ccccc1CBr)=O	29
+c1(c(CBr)cccc1Oc2c(F)cccc2)OC	29
+c1cc(cc(OCCCOC)c1OCC)CBr	29
+C(OC)CCOc1cc(c(C)cc1OC)Br	38
+C(c1ccc2c(nccn2)c1)Br	29
+c1cc(CBr)ncc1Br	299
+c1cc2c(n(CC)cc2Br)nc1F	1978
+ClCc1cc(Br)c(O)c(C(=O)C)c1	38
+C(c1cc(ccc1[N+]([O-])=O)F)Br	29
+O=Cc1c(O)c(cc(C2CCOC2=O)c1)Br	38
+BrC1=CN(C(=O)C(C#N)=C1Cl)c2c(cccc2)C	6208
+c1cc(ccc1-c2c(-c3ccccc3)cc(C#N)c(n2)Cl)CBr	29
+c1cc(ccc1)-c2onc3c2cccc3CBr	223
+c1ccccc1-c2c(c(n[nH]2)CCC#N)Br	875
+c1ccccc1-c2cc3c(csc3cc2)Br	2541
+C1CC(CCC1CC=2OC(=O)NN=2)c3c(Br)c(N)n4c(n3)c(cn4)-c5cnc(cc5)-c6ccccc6	1583
+c1ccccc1-c2ncc(CBr)cc2	223
+c1ccccc1-c2cc3c4c(ccc(c4)-c5ccccc5)n6-c7ccc(cc7C(C)(C)c(c2)c36)Br	38
+c1ccccc1-c2nc(N)nnc2Br	6209
+c1cc(ccc1)-c2nc3c(c(c2CBr)C(=O)NN(C(=O)OC)c4ccccc4)cccc3	223
+c1cc(ccc1)-c2c3ccc(CBr)cc3no2	29
+c1ccccc1-n2c(c(C#N)c3c(O)c(nc(Br)c23)C(OCC)=O)-c4ccc(cc4)F	6210
+c1cc(ccc1)C(NC(=O)c2c3n(c(c2)Br)CCOC3)CC	653
+c1cc(ccc1)C(NC(=O)Nc2ncc3c(c2Br)[nH]nc3NCC)C	3656
+c1cc(ccc1)-c2nc3ccccc3c(C(NC(c4ccccc4)CC)=O)c2CBr	223
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(c5c4cc([N+](=O)[O-])c(c5)CBr)Br	29
+c1ccccc1C(c2ccccc2)=Nc3c(c(C(F)(F)F)c(cc3)C#N)CBr	29
+C1CC(CCN1c2c(C#N)c3nnc(Br)n3cc2)c4ccccc4	6211
+c1cc(ccc1)C2CCc3c4c(NC(=O)N24)ccc3Br	38
+c1ccccc1OC(=CC(OCC)=O)CBr	3657
+c1ccccc1Oc2c3c(nc(c(O)c3ccc2)C(=O)OC)Br	408
+c1cc(ccc1)Oc2c3c(NC(CC3)C)ccc2Br	38
+O=S(=O)(c1ccccc1)n2c(CBr)c(cc2)C(=O)OCC	299
+c1cc(ccc1)Sc2cn3c(c(NC(=O)OC)nc3cc2)Br	973
+c1cc(ccc1OCCBr)-c2c(C#N)c3c(n2CC)cc(cc3)OC	552
+c1cc(ccc1Cl)-c2sc3c(C(=O)N(C(=O)N3C)CCC(OC)=O)c2CBr	795
+c1cc(ccc1-c2c(c(cnc2N)Br)CC)OC	203
+c1cc(ccc1-c2c(cnn2CC(NCCBr)=O)-c3ccc(cc3)C#N)C#N	552
+c1cc(ccc1-c2c(sc(Br)c2)CO)Cl	407
+c1cc(ccc1OC)-c2c(oc3ncnc(c23)NCCCCCC(OC)=O)Br	1314
+c1cc(ccc1-c2c3c(cc(CBr)cc3)nc(C#N)c2)F	29
+c1cc(ccc1-c2cc(C(=O)OC)nc3c(c(ccc23)CBr)F)F	29
+c1cc(ccc1-c2cc(CBr)cc(c2)Br)F	543
+c1cc(ccc1F)-c2c(Br)c3cccc(Cl)n3n2	3654
+Fc1cccc(F)c1CN2n3c(c(CBr)c(c3)-c4ccc(cc4)[N+](=O)[O-])C(N(c5cccc(c5F)OC)C2=O)=O	223
+c1cc(ccc1-c2c(ncnc2)C#N)CBr	29
+c1cc(ccc1F)-c2c(Br)c(nn2C)C	875
+c1cc(ccc1-c2nc(cc(OC)n2)C)CBr	29
+c1cc(ccc1-c2oc3cccc(CBr)c3n2)Cl	223
+c1cc(ccc1-c2c(c3c(o2)cc(N(S(=O)(=O)C)C)c(-c4ccc5ncc(Br)n5c4)c3)C(NC)=O)F	973
+c1cc(ccc1-c2c(CBr)cc(s2)C(=O)c3occc3)F	795
+c1cc(ccc1[N+](=O)[O-])-n2c(c3c(n2)N(Cc4c(F)cccc4F)C(N(c5c(c(ccc5)OC)F)C3=O)=O)CBr	299
+c1cc(ccc1C#Cc2cc3c(OC(C)(C)CC3(C)C)c(CBr)c2)CC(=O)OC	543
+c1cc(ccc1-c2oc(cc2)Br)C#N	1314
+c1cc(ccc1C#N)Oc2cc(c(cc2Br)F)OC	38
+c1cc(ccc1Oc2c(C(C)CC)c(OC)ccc2Br)C#N	38
+c1cc(ccc1C#N)Oc2ncc(CBr)cc2	223
+c1cc(ccc1C(=C)CBr)F	6212
+c1cc(ccc1C(C)=O)CBr	29
+c1c(ccc(N)c1Br)C(=O)C	38
+c1cc(ccc1C(O)=O)-c2sc(cc2)Br	407
+c1cc(ccc1C(OC)=O)C#CBr	6213
+c1cc(ccc1C(c2c(ccc(Br)c2)Cl)=O)CBr	29
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(CBr)n3nnnc3	6214
+c1cc(ccc1C(c2cc(CBr)ccc2)=O)Cl	29
+c1cc(ccc1CBr)-n2cc(c(Cl)c2C#N)Cl	29
+c1cc(ccc1CBr)C(=O)Cl	29
+c1cc(ccc1OC(C(OC)=O)c2ccccc2Cl)CBr	29
+O=S(=O)(CC)c1ccc(cc1)CBr	29
+c1cc(ccc1C=CC(=O)OC)CBr	29
+c1cc(ccc1S(=O)(=O)C2CCOCC2)C(Br)C(OC)=O	2542
+c1(cc(c(cc1)CC)Br)C=O	38
+c1cc(ccc1C(C)Br)[N+]([O-])=O	3658
+Nc1ccc(CCC(N)=O)cc1Br	38
+c1cc(ccc1CNC(=O)c2cc(c(Cl)nc2N)Br)OCc3ccccc3	203
+c1cc(ccc1-c2ccc(F)cn2)CBr	543
+c1cc(ccc1Cl)Cc2c([nH]c3c2cccc3)Br	2539
+c1cc(ccc1-c2c(CBr)cnc(F)c2)Cl	223
+c1cc(ccc1-c2c3c4c(cc2Br)ccc5c4c(ccc5)cc3)Cl	38
+c1cc(ccc1Cl)-c2n(c(C(CC)=O)c(c2C)Br)CC	986
+c1cc(ccc1-n2c(nc(Cl)c2-c3c(F)c(C#N)ccc3F)Br)Cl	866
+c1cc(ccc1Cl)C(c2c(Cl)cc(CBr)cc2)=O	29
+c1cc(ccc1Cn2ncc(-c3c(Br)sc(n3)Nc4ccccn4)c2)OC	617
+c1cc(ccc1F)CNC(c2sc(Br)cc2C)=O	407
+c1cc(ccc1N2N(C)C(C)=C(C2=O)Br)F	6215
+O=S(=O)(CCc1ccc(N)c(c1)Br)N(C)C	38
+c1c(Br)c(ccc1C(=O)OCC)O	38
+c1cc(ccc1-c2cc(CCC)cc(Br)c2N)OC	38
+c1cc(ccc1OC)-c2c(Br)oc(CBr)n2	6216
+c1cc(ccc1OC)COc2c3n(c(c(n3)C)Br)cc(N4C(C=CC=C4)=O)c2	973
+c1cc(ccc1OC)N2C=C(c3cc(ccc3C2=O)OC)Br	2538
+c1cc(ccc1S(=O)(=O)N(c2c(cccc2C(OC)=O)CBr)C)OC	29
+c1cc(ccc1OCc2ccccc2)N(C(c3c(C)n(c(c3)Br)C)=O)C	653
+c1cc(ccc1Oc2cccc3c(O)c(C(OC)=O)nc(Br)c23)OC	408
+c1cc(ccc1Cl)Oc2ccc(cc2)C(C(OC)=O)Br	2542
+c1cc(ccc1CBr)Oc2c(cccc2)C(=O)OC	29
+c1cc(ccc1OC)-c2ccc(cc2)S(=O)(=O)Nc3c(Br)c(no3)C	2536
+c1cc(ccc1Cl)Sc2ncnc(C(Br)C)c2F	6217
+c1cc(ccc1-c2ccc(CBr)c(C(=O)OC)c2)[N+]([O-])=O	29
+c1cc(ccc1-c2c(c(C(=O)OC)[nH]c2Br)-c3ccncc3)F	653
+c1cc(ccn1)-c2cc(c3ccncc3c2)Br	38
+c1cnccc1-c2c(-c3occc3)nc(c(n2)Br)N	439
+c1(F)nc(NCc2c(Cl)cccc2)ccc1Br	203
+c1(cc2N(C(CCc2cc1Br)=O)C)F	38
+c1(F)c(cc2CCCOc2c1)Br	38
+C(c1cccc2ccc(cc12)F)Br	29
+c1ccc2c(cc3c(ccc(c3)CBr)c2)c1	29
+BrCc1c2c(ccc1)cccc2C	29
+c1cc(c(C)cc1Br)OCC(OC)=O	38
+N12CCCc3cc(cc(CC1)c23)Br	38
+c1ccc2c(sc(-c3c(N)ncc(c3)Br)n2)c1	203
+c1ccc2c(c(C(=O)OC)sc2c1)CBr	795
+C1(=O)c2ccccc2C(=O)N1C(C(F)F)CC(CBr)=C	2534
+c1nc2c(Cl)nc3ccccc3n2c1Br	6218
+c1ccccc1-c2cc(CBr)ccc2C(=O)O	29
+c1cc(ccc1)-c2c(c(C(OC)=O)c3c(cccc3)n2)CBr	223
+c1ccccc1-c2ccc(N)c(n2)Br	408
+c1cc(ccc1)-c2c(n3-c4cccnc4Nc5ccccc5-c3n2)Br	984
+c1ccccc1-c2nc3c(ccc(CBr)c3)o2	29
+c1ccccc1-c2ccc(cn2)-c3n(c(Br)nn3)-c4ccccc4Br	3647
+c1ccccc1-c2c3cc(CBr)ccc3no2	29
+c1ccccc1-c2nc3c(s2)cccc3CBr	223
+c1cc(ccc1C(=O)c2ccccc2)CBr	29
+c1cc(ccc1)C(CCBr)c2cccc(OC)c2	552
+c1ccccc1C=2C(N(c3c(nc(c(c3C=2)O)C(OC)=O)Br)CC4CCCCC4)=O	408
+c1ccccc1CC=2C(=O)N(Cc3ccccc3)c4c(nc(C(=O)OC)c(c4C=2)O)Br	408
+c1cc(ccc1)C2=Cc3c(c(C(=O)OC)nc(Br)c3N(Cc4ccccc4)C2=O)O	408
+c1ccccc1CNC(c2sc(Br)cc2C)=O	407
+c1ccccc1CNC(c2oc(Br)cc2C)=O	1314
+c1ccccc1CNC2=C(C(=O)N(C=C2)Cc3cccc(c3)F)Br	6219
+c1ccccc1COC(N2C(c3n4c(c(Cl)ncc4)c(Br)n3)CCC2)=O	794
+c1ccccc1COC(=O)N2C(C#N)CC(CC2)c3nc(Br)c4c(Cl)nccn34	794
+c1ccccc1COc2c(CC)cc(Br)c(c2)OC	38
+C1CCC(C1)c2c(Br)ccc(OCc3ccccc3)c2	38
+c1ccccc1COc2ccc3c(c(nc(Br)c3c2)C(=O)OCC)O	408
+c1ccccc1COc2cc(C(C)C)c(cc2)Br	38
+c1cc(ccc1)N2N(C(=C(C2=O)C(=O)OC)CBr)C	1093
+c1ccccc1N2C=C(CBr)C(c3c2cc(cc3)Cl)=O	6220
+c1cc(ccc1Nc2c(cc3c([nH]cn3)c2F)C(OC)=O)Br	38
+c1cc(ccc1Br)Nc2c(cc3[nH]cnc3c2Cl)C(=O)OC	38
+C1CC1C(=O)N2c3c(CCC2C)c(Oc4ccccc4)c(cc3)-n5ncc(Br)c5	875
+c1cc(ccc1)Oc2ccc(c(C)c2)Br	38
+O=S(=O)(c1ccccc1)n2c(CBr)c(C(=O)OC)c3c2ncc(Br)c3	299
+c1cc(ccc1)S(=O)(=O)n2cc(Br)c3cc(cnc23)-c4cnn(C)c4	1978
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3ccc(c(CBr)c3)Cl	29
+c12c([N+]([O-])=O)cccc1n(CC)cc2Br	986
+C(c1ccc(-c2occn2)cc1Cl)Br	29
+n1cccnc1-c2c(N)ncc(Br)c2	203
+c1nn(C)c2CCCC(c3n4ccnc(Cl)c4c(Br)n3)c12	794
+n1cn(C)c(Br)c1-c2cc(C#N)ccn2	984
+Cc1nc2n(c1Br)ccnc2Cl	973
+n1c(C#N)cn2c(cnc2c1SC)Br	973
+c1(C)nc(nc(C)c1Br)O	1583
+CCc1c(O)nc(C)c(Br)c1	203
+n1c(Cl)c(c(nc1Br)Cl)N	6221
+c1c(c2c(cc1F)nc(c(OC)n2)OC)CBr	223
+o1c(Br)ccc1-c2nc(cc(Cl)n2)-n3nccc3	1314
+Nc1ncc(C(=O)OC)nc1Br	439
+[N+](c1cc(Br)c2c(cccn2)c1)([O-])=O	6222
+n1c2c(n(c1-c3cc(Br)cnc3N)-c4cccc(c4F)F)ccnc2	203
+c12c(c3c(cccc3)c(n1)CBr)cccc2	299
+n1cc(N)nc(-c2cc(F)ccc2)c1Br	439
+n1c(ccc(CBr)c1)F	223
+c1(Cl)nc(NC(COC)C)cnc1Br	439
+c1nc(ncc1)-c2cccc(c2)CBr	29
+n1n(c(nn1)-c2cc(Br)cnc2N)-c3cccc(c3F)F	203
+n1sc2c(c1-c3cc(CBr)ccc3)ncnc2O	29
+n1c(-c2nc(cnc2N)Br)oc3c1cncc3	439
+o1c(ncc1CBr)C(OCC)=O	3652
+c12c(cc(C#N)cc1)c3c(o2)c(c(O)c(F)c3)Br	6223
+o1c2c(c(c(cc2)Br)O)c(C)c1C(=O)OCC	38
+s1c(-c2ncc(CBr)cc2)nc3ccccc13	223
+c1(Br)sc2c(ccs2)c1C	407
+CC(C)C(C(=O)NC(C)C(O)=O)NC(=O)OCC=C	2445
+CC(C)(C)OC(=O)NOCCCCNC(COc1ccc2C(=CC(Oc2c1)=O)C)=O	1280
+c1(ccccc1Cl)-c2cc(OC)cc3N(c4c(ccc(C(=O)OC)c4)C)C(=O)CCc23	11
+C1CN(CCN1CC)Cc2c(C)cc(C(NC3C4c5c(ccc(Oc6ccnc7NC(CCc67)=O)c5)OC34)=O)cc2	14
+C1CN(CCN1Cc2ccc3ccccc3n2)CCCOc4ccc(C)c5NC(=O)CCc45	72
+C1CCCCC1c2cc(c(C(=O)CCC(O)=O)cc2)OC	882
+C1CN(CCN1C(CCC(O)=O)=O)c2nc(c([N+](=O)[O-])c(n2)N3CCS(CC3)=O)OCC	6224
+CC(C)(C)NC(CCC(O)=O)=O	2439
+CC(C)(C)OC(N1CCN(CC1)CCOC(=O)CCC(O)=O)=O	996
+CC(C)=CCCC(CCOC(=O)CCC(O)=O)C	996
+C1(=O)CCC(=O)N1CP(=O)(OC)CC(CC(C)C)C(NC(C(NC)=O)CC(C)C)=O	3566
+c1c(c2c(cccc2)cc1)NC(CCC(=O)O)=O	1979
+O=S(=O)(N)c1c(cc(NCc2occc2)c(C(OCCCOC(CCC(=O)O)=O)=O)c1)Cl	996
+c1(F)cccc(F)c1Nc2n(c3c(n2)cnc(NC4CCC(CC4)OC(=O)CCC(=O)O)n3)C5CCCC5	996
+C(C(c1cc(CC)c(cc1)OC)=O)CC(=O)O	882
+c1cc(ccc1)C(NC(=O)c2c(c(nc3c2cccc3)-c4ccccc4)OCCNC(=O)CCC(O)=O)CC	2439
+c1cc(ccc1C(=O)CCC(O)=O)NC(=O)C	882
+c1cc(ccc1C2(C(=O)NC(NC2=O)=O)N3CCN(CC3)c4ccc(cc4)NC(=O)CCC(O)=O)-c5ccccc5	1979
+c1cc(ccc1N2C(=O)OC(CNC(c3ccc(s3)Cl)=O)C2)N4C(C(CCCOC(=O)CCC(=O)O)OCC4)=O	996
+C(C(c1cc(C)c(cc1)OC)=O)CC(=O)O	882
+c1cc(ccc1C(=O)CCC(O)=O)CC(C)NC(=O)C	882
+c1ccccc1OCC2OCCN(S(=O)(=O)c3c(C(N)=O)[nH]c4c(cc(Cl)cc34)NC(CCC(O)=O)=O)C2	6225
+C1CC(=O)c2cc(c(c([N+]([O-])=O)c12)N)Br	106
+C1(c2c(CC1)c(N)c(c(c2)Br)N)=O	0
+C1C(C(c2cc(cc(C)c12)F)=O)=NO	3659
+C1c2c(cc(cc2Cl)F)C(C1)(O)CC(OCC)=O	3660
+c1c(Br)cc2c(C(N(C3(C)CCC(=O)NC3=O)C2)=O)c1	3573
+C(NC(C)=O)C1CCC(C(=O)O)C1	206
+C1CC(CN2C(c3c(cnc(F)c3)CCC12)=O)C(Cl)=O	130
+c1cnc(Cl)c(CNC(C2CCC3CCOC(=O)N3C2)=O)n1	9
+C1CC(Cc2[nH]c3c(c12)c(ccc3C(=O)N)Br)C(N(OC)C)=O	164
+c1cc(ccc1NC(=O)C2CCc3c(C2)sc4c3c(Nc5cc6c(cc5)[nH]nc6)ncn4)C#N	33
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4C(CCCC4)C(O)=O	2543
+c1cc(ccc1-c2cnc3c(cccc3)c2SC4C(C)OCC4)OC	796
+c1c2NC(C(CCc2c3ccccc3c1)N)=O	1584
+C12CC(CCC1(C)C3C(O)CC4(C(CCC4C3CC2)C(O)=O)C)O	100
+C1CC(C(OCC)=O)Cc2sc3ncnc(c3c12)Nc4cc5c[nH]nc5cc4	1500
+C1CC(C(=O)O)Cc2sc3ncnc(c3c12)Nc4cc5c[nH]nc5cc4	3
+C1CC(CCC1(C)C)CNCc2ccccc2	110
+c1cc(ccc1)COP(OCc2ccccc2)(=O)OCOc3c(c(O)nc(CC4CCC(C)(C)CC4)c3)-c5ccccc5	175
+N#CC1CCC(C)N1C(=O)CCl	143
+c1c(Br)ccc2cc(ccc12)OCCN3CCCCC3C	20
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCN4C(C)CCC4C	53
+c12CCC3C4CCC(C4(C)CCC3c1ccc(OC)c2)=C	297
+O=S(=O)(NC1CC(c2c(OCOC)cc(cc2)OCOC)CCC1)C	111
+O=C(O)C1(C(=O)O)CCc2c(C1)c3c(cccc3)n2C(=O)c4ccccc4	6226
+C1CC(CCC1(NC(Cc2cc(ccc2C)-c3ccc(Cl)c(c3)F)=O)C(OC)=O)(F)F	188
+C1CC(CCC1Oc2ccc(cn2)NC(=O)c3nnc(Nc4ccc(Cl)cc4Cl)o3)(C(=O)OCC)C	3661
+c1ccccc1COc2ccc(cc2)C=3CCC(C)(C)CC=3	252
+C1CC(C)(C)CCC1C=O	1143
+C1CC(CCC1(C)C)NC(c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)=O	14
+C1CC(CCC1(C)C)NC(c2ccc(cc2)Oc3cc4c(cc3Cl)C(C(=O)O)CCO4)=O	3
+C1CC(CCC1(C)C)c2sc3nc(C)nc(c3c2)C(=O)O	6
+C1CC(CCC1(C)C)c2sc3nc(nc(c3c2)CO)C	194
+C1CC(CCC1(C)C)c2cc3c(C(=O)OCC)nc(nc3s2)C	6227
+C1CC(CCC1(C)C)c2cc3c(C(=O)OCC)nc(nc3s2)C	3662
+C1CC(CCC1(C)C)c2cc3c(nc(C)nc3s2)C(=O)N4CCC(CC4)(O)C	147
+C1CC(CCC1c2cc3c(nc(nc3Cl)C)s2)(C)C	779
+C1CC(CCC1O)(C)O	100
+C1CC(CCC12CC(NC2)=O)C(OCC)=O	1980
+C1CC(CCC1(F)CO)(C#N)NC(=O)OCc2ccccc2	101
+C1CC(CCC1(CO)F)(N)C#N	661
+C1CC(F)(F)CCC1C(C)(C)C(O)=O	3
+FC1(F)CCC(CC1)C(C)C(OCC)=O	2544
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+CC(C)(C)[Si](C)(C)OC1C2C(C(CO2)NC(NC3CCCCC3)=O)OC1	588
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+CC(C)(O)c1c2ncc(-c3ccnc(NC4CCC(CC4)C(=O)OCC)n3)n2ccc1	306
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+C1CC(CCN1c2ncc(cn2)CCC)(C3Cc4cc(Br)cc(F)c4O3)O	117
+c1cc(ccc1)C(c2ccccc2)CC(=O)N3CCC(CC3)(c4ccccc4)CN5CCN(CC5)C	10
+c1ccccc1C(c2ccccc2)NC(=O)N3CCC(CC3)(CN4CCN(CC4)C)c5ccccc5	384
+C1CC(CCN1c2c3n(nc(Nc4ccc(cc4)C(N(C)C5CCN(CC5)C)=O)n3)ccc2)(c6ccc(cc6)SC)CO	3694
+c1cc(ccc1CC2(CCN(CC2)C(=O)C3CN(c4cc(Cl)ccc4O3)Cc5ccccc5)C#N)F	10
+c1ccccc1CC2(CCN(CC2)C(CCc3c4cc(ccc4n(c3-c5ccc(cc5)Cl)C)Cl)=O)F	10
+c1ccccc1COc2ccc(C(CN3CCC(CC3)(c4ccc(OC)nc4)O)=O)cc2F	1498
+c1cc(ccc1Br)C2(CCN(CC2)Cc3ccccc3)O	131
+c1cc(ccc1Br)C2(CCNCC2)c3ccc(cc3)Cl	1848
+CC(C)(C)C(C(N1CCC(CC1)(O)c2ccccc2)=O)NC(=O)OC(C)(C)C	10
+C1CN(CCC1(c2ccccc2)O)CCC(c3ccc(c(Cl)c3)Cl)CN(C)C(=O)c4ccccc4	61
+C1CN(CCC1(OC)C)C(c2c(ccc(Cc3c4c(c(O)nn3)cccc4)c2)F)=O	1997
+C1CC(CCN1c2ccc(cc2)C(=O)OCC)(CCCC)OC	34
+FC(F)(F)c1ccccc1CCN2CCC(CC2)(c3ccccc3)C#N	123
+c1cc(ccc1)C2(CCN(CC2)CCCC(=O)c3cc4CCC(Nc4cc3)=O)C(C)=O	53
+C1CN(CCO1)c2nc(nc3c(c[nH]c23)C4=CCNCC4)-c5cccc(c5)OCc6ccccc6	6307
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N2CCC(CC2)=O	92
+c1c(F)c(c(cc1[N+](=O)[O-])F)N2CCC(CC2)=O	34
+C1CN(CCC1=O)CC#N	1321
+N1Cc2c([nH]c3c2cccc3[N+]([O-])=O)CC1	518
+C1CN(CCC1=O)c2nc(N)ccn2	117
+c1cc(ccc1C(NCc2sc(cc2)S(=O)(=O)N3CCC(CC3)=O)=O)Cl	1147
+c1cccc2[nH]cc(c12)C=3CCNCC=3	888
+C1CC(CCN1Cc2ccc(Cl)c(Cl)c2)=O	171
+c1ccccc1-c2[nH]c3ccccc3c2C=4CCNCC=4	888
+CC(C)(C)c1nc2cc(N3CCC(CC3)C)c([N+]([O-])=O)cc2s1	1998
+FC(F)(F)c1ccc(-c2nc3ccc(nn3c2)N4CCC(CC4)C)cc1NC(C(C)(C)C)=O	212
+C1CN(CCC1C)CC=2Oc3c(cc(Br)cc3)C(C=2)=O	6308
+C1CC(CCN1c2nc3ccc(cc3c(C)c2)Br)C	286
+C1CC(CCN1c2nc(ccc2[N+]([O-])=O)Cl)C	43
+C1CC(CCN1CCOc2ccc(cc2)-c3nc4c(cc(C5=NNC(=O)CC5CC)cc4)o3)C	61
+c1cc(ccc1-c2ccc(cc2)NC(C=Cc3ccc(cc3)CN4CCC(CC4)C)=O)Cl	48
+C1CC(CCN1C=O)C(=O)N2C(C)COc3cc(C(OC)=O)ccc3C2	3695
+C1COCCN1c2c3c(cc(CN4CCC(CC4)C(=O)NC)s3)nc(Cl)n2	509
+C1CC(CCN1c2ccnc3ccc(F)cc23)C(C(OCC)=O)CC	264
+C1CC(CCN1Cc2ccc3nc(Cl)nc(N4CCOCC4)c3n2)C(C)(C)O	596
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+C1CN(CCC1C(=O)C)c2c(nnc(c2)Cl)Cl	2558
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+C1CC(CCN1)CN2Cc3cc(OC)c(OC)cc3CC2	15
+C1CC(CCN1C(C)=O)C(=O)Nc2cc(ncn2)-c3ccccc3OCC	58
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+CC(C)OC(c1cc(C#N)c(nc1C)N2CCC(CC2)C(=O)O)=O	43
+C1CN(CCC1C(O)=O)C(OCC)=O	66
+C1CNCCC1c2nc3c([nH]2)cc(cc3)Br	442
+C1CNCCC1c2oc3c(n2)cc(cc3F)Br	1824
+C1CC(CCN1C2=NC(=O)CS2)C(=O)O	6309
+C1CC(CCN1C(c2ccccc2)=O)C(O)=O	115
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCC(CC4)C(=O)O	85
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+C1CN(CCC1C(=O)OC)CCCCCn2c(nc3c(nc(nc23)OCCCC)N)OC	28
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+C1CN(CCC1CC(C)(C)C(OC)=O)c2ncc(cc2)[N+](=O)[O-]	43
+CC(C)(C)c1cc2N(CCCN3CCC(CC3)CCCC)C(=O)COc2cc1	53
+C1CN(CCC1CCCC)CCCN2C(=O)COc3c(c(c(cc23)Cl)CC)Cl	53
+C1CN(CCC1CCCC(=O)N)C(N(C(=O)Oc2ccccc2)c3nccc(c3)Oc4cc5ccn(C(=O)NC)c5cc4)=O	2559
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+C1CC(CCN1S(=O)(=O)c2cc3ccccc3cc2)CCCCNC(CCc4cnccc4)=O	92
+C1CC(CCN1C(c2ccc3c(cccc3)c2)=O)CCCCNC(CCc4cnccc4)=O	115
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCO	23
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+C1CC(CCN1C#N)CCCO	739
+n1cc(cnc1N2CCC(CC2)CCCO)CC	117
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+C1CC(CCN1CC2(CCOCC2)O)CNC(OCc3ccccc3)=O	170
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+C1CN(CCC1CNc2nc3c(C(=O)OC)cccc3[nH]2)Cc4cc(Cl)cc(c4O)Cl	48
+c1nc(ncc1F)NCC2CCN(CC2)C(C3C(c4ccccc4)C3)=O	10
+C1CCCN1CCOCC2CCN(CC2)c3c4c(scc4-c5c(OC)cccc5)nc(n3)C6CC6	1570
+C1CCN(C1)CCOCC2CCN(CC2)c3ncc4c(c(Br)sc4n3)-c5ccccc5	117
+FC(F)(F)CN1CCC(CC1)COc2c(cc(c(F)c2)C(=O)OC)C3CC3	2532
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+C1CC(CCN1CC2(CCOCC2)O)COc3c4c(OC5CCOC5)cccc4on3	170
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+C1CC(CCN1C(=O)C(Nc2ccc3NC(=O)COc3c2)=O)Cc4ccc(cc4)C	3697
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+CC(C)(C)OC(=O)NC1CC(CN2CCC(CC2)Cc3ccccc3)CC1	236
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+c1ccccc1S(=O)(=O)N2CCC(CC2)Cn3c4c(nc(cc4)-c5cn(nc5)C6CCCCO6)cc3	92
+C1COCCN1c2c3c(cc(CN4CCC(CC4)Cn5ccnc5C)s3)nc(Cl)n2	509
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+C1CN(CCC1F)c2ccn3c(n2)nc4ccccc34	3698
+C1CC(CCN1C(c2cc(OCc3ccccc3)ccc2C)=O)N4C(=O)C(C)(C)C(c5cc(OC)c(OC)cc5)=N4	115
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+C1CN(CCC1N2C(C(CC2)Oc3cc(F)c(S(=O)(=O)C)cc3F)=O)C#N	739
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+C1CC(CCN1S(=O)(=O)c2ccc(cc2)CNC(=O)c3ccc4n(ccn4)c3)N5CCCC5	92
+C1CN(CCC1N2CCCCC2=O)Cc3c(-c4ccccc4)nc5ccccc5c3C(OC)=O	619
+C1CN(CCC1N2c3c(cc(c(c3)C)F)NC2=O)C4(CCOCC4)C#N	6313
+CC(C)(C)OC(=O)N1CCC(CC1)N2c3ccccc3NC2=O	23
+c1cc(ccc1)-c2cc(C#N)c(nc2-c3ccc(cc3)CN4CCC(CC4)N5C(=O)Nc6c5cccc6)Cl	131
+c1ccccc1CN(Cc2ccccc2)CCCCN3CCC(CC3)N4c5ccccc5NC4=O	61
+C1CC(CCN1CCCCn2cnc3c2cccc3)N4c5c(cccc5)NC4=O	53
+C1CC(CCN1c2nnc(Cl)cc2)N3CCc4ccc(cc34)F	212
+C1CC(CCN1Cc2[nH]ccn2)N3c4c(cc(cc4)-c5nnn[nH]5)Oc6ccccc36	566
+c1cc(ccc1CN2CCC(CC2)NC(C)=O)CCN3C=CC(=CC3=O)OCc4c(F)cccc4	131
+O=S(=O)(C)N1CCC(CC1)NC(=O)c2n(Cc3cc(on3)-c4ccc(Cl)s4)c5c(cccc5)c2	112
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+FC(F)(F)c1ccc(cc1)-n2cc(cc2)CN3CCC(CC3)NC(CSc4cccc(Cl)c4)=O	565
+CC(C)(c1ccc2OCc3ncccc3C(=CCCN4CCC(CC4)NC(Cc5ccc(cc5)Cl)=O)c2c1)O	2000
+CC(C)(C)OC(=O)c1cnc(cc1)N2CCC(CC2)NC(=O)c3cnc(-c4cc(F)ccc4)cc3	323
+C1CN(CCC1NC(=O)c2cncc(c2)C)Cc3cc(c(c(N)c3)I)OCC	48
+C1CN(CCC1NC=2c3c(ccc(OC)c3)N(C)C(=O)C=2)Cc4ccc5OCOc5c4	171
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+c1ccccc1-c2ccc(cc2)NC(=O)CC(=O)N3CCC(CC3)Nc4c(cccc4)C	2561
+C1CN(CCC1Nc2cc(c(cn2)Cl)-c3nc(ccc3)NCc4cc(F)ccc4)S(=O)(=O)CC	112
+C1CC(CCN1S(=O)(=O)CC)Nc2nc(N)c(C(=O)c3c(F)cccc3)cc2	112
+c1ccccc1Nc2ccc(C(=O)NCC(=O)N3CCC(CC3)Nc4c(cccc4)Cl)nc2	731
+C1CN(CCC1Nc2cccnc2-c3nc4cc(OC)cc(OC)c4c(O)n3)C(C(N(C)C)=O)=O	3697
+C1CN(CCC1Nc2nc3c(cccc3)n2C)Cc4cc(OCC)c(cc4)Cl	48
+O=S(=O)(CCCCl)N1CCC(CC1)Nc2nc(N)c(cn2)C(=O)c3c(ccc(F)c3F)OC	112
+Fc1cccc(F)c1C(c2c(nc(NC3CCN(CC3)S(=O)(=O)CCCCl)s2)N)=O	112
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+c1cccn1-c2c(cc(cc2OCC)CN3CCC(CC3)Nc4oc5cccc(c5n4)[N+](=O)[O-])OCC	48
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+FC(F)(F)c1ccc(cc1)CN2CCC(CC2)Nc3ccc(C#N)nn3	48
+C1CC(CCN1Cc2cc(OCC)c(c(OCC)c2)F)Nc3nc4cc(OCC(O)CO)ccc4o3	48
+C1CC(CCN1Cc2c(ccc3ccccc23)OCC)Nc4sc5ccccc5n4	48
+C1CN(CCC1OC)c2nccc(N)n2	117
+C1CN(CCC1OC)C(=O)c2cc(Cc3c4cc(ccc4c(nn3)O)Br)ccc2F	30
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+c1ccc2C(=O)N(C(=O)c2c1)CCCN3CCC(CC3)OC	28
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+c1ccccc1CN2CCC(CC2)Oc3sc4cc(ccc4n3)Br	131
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+C1CC(CCN1C(OC(C)C)=O)Sc2ncnc(Cl)c2C	66
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+c1cc(ccc1C2CCN(CC2)C(c3ccc(c(N)c3)CC)=O)-c4cnn(c4)C	30
+c1cc(ccc1C2CCN(CC2)C(c3ccc(F)c([N+](=O)[O-])c3)=O)-c4cnn(c4)C	30
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+FC(F)(F)c1n2c(nn1)ccc(N3CCC(CC3)c4ccc(cc4)O)n2	212
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+C1CN(CCC1c2cccc(c2F)F)CC	183
+CC(C)N1CCC(CC1)c2nc(C(=O)OCC)cs2	85
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+C1CN(CCC1N)Cc2ccc(cc2)C	316
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+c1ccccc1Cc2c3c(c(nn2)NC4CCN(CC4)Cc5cc6ccccc6cc5)cc(OC)cc3OC	232
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+C1CNCCC1(c2ccccc2C)C#N	25
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+C1CN(CCC1(CO)NC(c2ccc(cc2)OCCCN3CCCC3C)=O)Cc4ccccc4	88
+c1cc(ccc1)CN2CCC3(CC2)N(C=NC3=O)c4cc(ccc4)C	3702
+c1cc(ccc1)CN2CCC(CC2)(Nc3cccc(C)c3)C(O)=O	2567
+c1cc(ccc1)CN2CCC(=CC2)c3ccc(cc3)OC	252
+c1cc(ccc1C2(CCN(CC2)Cc3ccccc3)c4cc(OC)ccc4)C(=O)NN	296
+C1CC(CCN1Cc2ccccc2)=Cc3ccc(cc3)C(=N)OCC	3703
+C1CC(CCN1Cc2ccccc2)c3nc(C)c(o3)C	6331
+C1CC(CCN1Cc2ccccc2)CCCCC(NO)=N	409
+c1ccccc1CN2CCC(CC2)COc3ccc(Br)cn3	640
+C1CNCCC1N(CCC)C2CCc3c(C2)cc(cc3)OC	25
+C1CNCCC1NC(=O)COc2cccc(Cl)c2	25
+C1CC(CCN1C(OCC)=O)Nc2c([N+](=O)[O-])cccc2C	1600
+C1CNCCC1Nc2ccc(cn2)C(=O)OC	25
+C1CC(CCN1)c2ccc(cc2)OC	25
+C1CNCCC1c2oc(c(C)n2)C	25
+CC1CN(CC(C)O1)c2nc(Cl)nc3n(C4CCNCC4)ncc23	25
+CC(C)(C)OC(=O)Nc1c(c(C)c(s1)C(OCC2CCN(CC2)Cc3cnc(-c4ccccn4)s3)=O)C#N	1532
+C1(CN(CC(C)O1)c2nc(-c3ccc(cc3)N)nc4c2cnn4C5CCN(CC5)Cc6cnccc6)C	261
+C1CN(CCCC1)CCCNC(C2CCN(CC2)Cc3nc(-c4ccc(cc4)Cl)oc3C)=O	9
+c1cc(ccc1Cl)-c2nc(c(o2)C)CN3CCC(CC3)C(N(CCCN4CCCCCC4)C)=O	10
+C1CN(CCC1C2COC2)Cc3n(C)c4c(c(N5CCOCC5)nc(n4)-n6c7c(cccc7)nc6C)n3	1098
+C1CN(CCC12C(=C(c3c(C)cc(F)c(c3)Br)C(=O)N2)O)OC	997
+C1CN(CCC12NC(C(c3c(ccc(c3)C)C)=C2O)=O)OC	997
+C1CC1c2c(C)cc(C)c(CC(NC3(CCN(CC3)OC)C(=O)OC)=O)c2	726
+C1CC(CCN1OC)(C(OC)=O)NC(=O)Cc2c(C)cc(F)c(c2)Br	188
+C1CN(CCC1C=O)OC	1143
+C1CC(CCN1OC)=COC	6332
+C1CN(CCC1C(OC(Cc2c(C)cc(cc2C)C)=O)C#N)OC	204
+C1CN(CCC1CC(N)C#N)OC	2519
+C1CC(CCN1OC)CC=O	24
+C1CC(CCN1S(=O)(=O)C)CO	44
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCC(C2CCN(CC2)S(=O)(=O)C)c3cc(F)cc(c3)F)CC4CC4	61
+C1CC(CCN1S(=O)(=O)C)CN(C2Cc3cc(ccc3CC2)NC(C(C)C)=O)CCC	26
+C1CC(CCN1S(=O)(=O)C)CN(CCC)C2CCc3c(cc(cc3)N)C2	0
+C1CC(CCN1S(=O)(=O)C)Oc2ccc(cc2)N	0
+C1CN(CCC1CNC(=O)C2CCCCC2)S(=O)(=O)c3c4c(ccc3)cccc4	68
+C1CC(CCN1c2ncc(cc2C3CC3)N)OC(c4ccccc4)=O	13
+C1CN(CCC1C(=O)O)c2c(Cl)nsn2	3
+CN(C)C(=O)c1ccc(c(F)c1)Nc2c(F)c(ncn2)N3CCC(CC3)C(=O)O	3
+C1CN(CCC1CC(N2CCN(C)CCC2)=O)c3ncc(Br)cc3[N+](=O)[O-]	10
+C1CC(CCN1c2ccnc(NN)c2C#N)c3ccccc3	2568
+C1CN(CCC1CC(N2CCN(C)CCC2)=O)c3ncc(cc3NC(=O)c4cc(Cl)ccc4)Br	660
+C1CN(CCC1CC(O)=O)c2c(cc(Cl)cc2)NC(c3cccc(Cl)c3)=O	3
+C1CN(CCC1CC(=O)OCC)c2ccc(Cl)cc2N	0
+C1CN(CCC1OC(c2ccccc2)=O)c3c(Cl)cc(cn3)[N+]([O-])=O	279
+C1CC(CCN1c2c(ccc(n2)N3CCN(CC3)C)N)C	13
+C1CN(CCN1c2ccc(NC(c3cc(C#N)c[nH]3)=O)c(N4CCC(CC4)C)n2)C	510
+C1CN(CCC1C)c2c(ncn2-c3c(F)cc(cc3F)F)Cl	6333
+C1CN(CCC1Oc2ccc(F)cc2F)c3c(nc4c(n3)ccnc4)NC5COCC5	1284
+C1CN(CCC1Oc2ccc(F)cc2F)c3c(NC4CC(C4)(F)F)nc5c(ccnc5)n3	1284
+C1CN(CCC1(NC(C)=O)C)c2c3c(ccc2)OCCO3	6334
+C1CN(CCC1C(=O)O)c2c3c(n(C)cc3C=O)ncc2	3
+c1cc(ccc1-c2c3cnccc3c(N4CCC(CC4)C(NCC(C)C)=O)nc2-c5ccnc(Cl)c5)F	1151
+C1CC(CCN1c2nc(Cl)nc(C(O)=O)c2)c3n[nH]c4ncccc34	1
+C1CCCCC1Nc2c3c(nc(Nc4ccc(N5CCC(CC5)N6CC(CCC6)O)cc4OC)n2)nc[nH]3	3704
+C1CN(CCC1C)c2cc(C(=O)Nc3ccc(OCC#N)c4ccccc34)cc(c2)F	67
+CC1(C)OB(OC1(C)C)c2cc(N3CCC(CC3)N(C)C(C)=O)ccc2	17
+C1CN(CCC1NC(=O)c2[nH]c(c(c2Cl)Cl)C#N)c3cc(nc4ccccc34)C(OC)=O	1938
+CC(C)COC(=O)N(C1CN(C(C2CCN(CC2)c3ccc(C#N)cn3)=O)CC1c4ccc(cc4)Cl)C	66
+CC(C)(C)OC(=O)N(C)C1C(c2ccc(cc2)Cl)CN(C1)C(C3CCN(CC3)c4ccc(C#N)cn4)=O	10
+c1cc(ccc1Cl)C2CN(CCC2C(Nc3ncc(cc3)C#N)C)C(C4CCN(CC4)c5ccc(cn5)C#N)=O	10
+C1CN(CCC1=CCO)c2ccc(Cl)c(c2)OC	2569
+C1CC(CCN1c2cc(OC)c(Nc3nc(c4c(n(C5OCCCC5)cn4)n3)NC6CCCCC6)cc2)N7CCCC(C7)O	55
+C1CC(CCN1c2ccc(N)c(OC)c2)N3CC(CCC3)O	0
+C1CC(CCN1c2cc(c([N+](=O)[O-])cc2)OC)=O	86
+c1cc(ccc1C(NNC(=O)c2ccc(cc2)C(=O)OC)=O)N3CCC(CC3)(OC)CCCC	1601
+C1CC(CCN1c2ccc(cc2)C(=O)NN)(CCCC)OC	1094
+C1CC(CCN1c2c3OCCOc3ccc2)(C)O	736
+c1cc(ccc1)C2CCN(CC2)c3ccn4c(c3C#N)nnc4	2570
+C1CC(CCN1c2ccnc3ccc(F)cc23)C(CC)C(=O)O	3
+c1cc(ccc1Cl)NC(=O)C(C2CCN(CC2)c3ccnc4ccc(F)cc34)CC	33
+C1CC(CCN1c2cnccc2)=NN3CCN(CC3=O)S(=O)(=O)c4ccc5c(c4)ccc(c5)Cl	6335
+CC(C)NC(=O)C1CCN(CC1)c2nc(-c3cc(ncc3)Cl)cc4c2ccnc4	9
+c1cc(ccc1OCCC2C(C3CCN(CC3)c4onc(C(C)C)n4)C2)CC(=O)OC	20
+C1CN(CCC1CCCOc2cc(C)c(Br)cc2)c3nc(no3)C(C)C	126
+C1CN(CCC1CCCOS(=O)(=O)C)c2nc(C(C)C)no2	7
+C1CN(CCC1CCCOc2ccc(S(=O)(=O)C)c(F)c2)c3nc(no3)C(C)C	20
+O=S(=O)(c1cnc(cc1)OCCCC2CCN(CC2)c3nc(no3)C(C)C)C	430
+C1CN(CCC1CCCOc2cc(C)c(Br)cn2)c3nc(C(C)C)no3	91
+C1CN(CCC1CCCOc2cnc(C(OC)=O)cc2)c3nc(no3)C(C)C	981
+C1CC(CCN1c2nc(no2)C(C)C)n3c4cc(F)c(Br)cc4cc3	3705
+C1CC(CCN1c2c(ccc(n2)N3CCN(CC3)C(=O)CN4CCOCC4)N)C	13
+O=S(=O)(C)c1ccc(NC(=O)c2cc(Cl)ccc2)c(n1)N3CCC(CC3)CC(=O)OCC	660
+C1CC(CCN1c2cc(C(N)=O)cc(n2)Cl)NC(=O)c3[nH]c(c(Cl)c3)C	81
+C1CC(CCN1c2c(ccc(N3CCN(CC3)C)n2)[N+]([O-])=O)C	43
+C1CC(CCN1c2nc(no2)C(C)C)n3ccc4cc(-c5ccc(cc5)S(=O)(=O)C)c(cc34)F	99
+C1CC(CCN1c2nc3c(c(C)c2)cc(cc3)C#Cc4ccc(-c5ccc(cc5)Cl)cn4)C	129
+C1CC(CCN1c2nc3c(cccc3)cc2)CCNC(OCC(N)=O)=O	6336
+CC(C)NC1CCN(CC1)c2nc3ccc(Cl)cc3s2	87
+C1CN(CCC1C(OCC)=O)c2nc3ccc(c(C(=O)NCCc4c(C)cccc4)c3cc2)Cl	14
+C1CC(CCN1c2nc3c(cc(cc3)I)c(C)c2)C	3706
+C1CN(CCC1=O)c2cnc(C)cn2	86
+C1CC(CCN1c2ncc(cn2)CC)n3ccc4c3cc(c(-c5ccc(cc5)-n6cnnn6)c4)F	99
+CC(C)(C)OC(=O)N1CCC(c2cc(c3OC(C4(CCN(CC4)c5ncc(cn5)CCC)O)Cc3c2)F)=CC1	563
+C1CC1NC2CCN(CC2)c3ncc(cn3)Cl	87
+C1CN(CCC1=O)c2cnc(CC)cn2	86
+C1CC(CCN1c2ncccc2)NC(=O)n3cncc3	2483
+CC(C)(C)OC(NC1CCN(CC1)C(=O)NC2CCN(CC2)c3ncccc3)=O	3640
+C1CN(CCC1CCNC(=O)c2cc(ccc2)C(NCC)=O)c3c4sc(cc4ncn3)C(N)=O	14
+C1CCCN1CC2(CCN(CC2)c3ncnc4nc[nH]c34)c5cccc(-c6cnn(C)c6)c5	61
+C1CC(CCN1c2ncncc2)C(N3CCNCC3)=O	25
+C1CN(CCC1C(=O)N2CCN(CC2)C(c3ccc(cc3)C#N)=O)c4ccncn4	115
+C1CC(CCN1c2nnc(-c3cnn(c3)CCOCC)cc2)N4CCc5ccc(cc45)F	338
+C1CC(CCN1c2nnc(-c3c[nH]nc3)cc2)N4CCc5ccc(cc45)F	3707
+C1CC(CCN1c2ccc(nn2)-c3cncc(c3)C(=O)O)Oc4c5ccccc5ncc4	6
+CC(C)(C)OC(NC(c1c(F)cc(OCCC(C)C2CCN(CC2)c3onc(C(C)C)n3)cc1)C(OC)=O)=O	126
+C1CN(CCC1(CC)CCO)c2sc3c(ccc(Cl)c3)n2	95
+C1CN(CCC1(CC)CCOc2cc(CC(OC)=O)ccc2Cl)c3sc4c(ccc(Cl)c4)n3	72
+CC(C)c1nc(N2CCC(CC2)N3CCCC3=O)sn1	1553
+C1CC(CCN1c2snc(n2)C)Nc3nn4cccc(-c5cccc(N(C)C)c5)c4n3	1478
+c1cc(ccc1F)-c2c3n(ccc2)nc(n3)NC4CCN(CC4)c5snc(n5)C	1478
+C1CN(CCC1Nc2nn3ccc(Br)cc3n2)c4snc(n4)C	1478
+C1COCCC1(c2ccc(cc2)CCCNC(c3cccc4ccccc34)C)C(=O)O	479
+C1CC(CCO1)(CN)c2nc(-c3ccccc3)cs2	51
+C1COCCC12C(=O)C(=C(O)c3ccccc23)C(OCC)=O	3359
+C1CC(CCO1)(C(=O)OC)c2cc(cc(OCc3ccc4c(cc(NN)nc4c3)Cl)c2)F	2572
+C1CC(CCO1)(C(=O)OC)c2cc(cc(c2)OCc3cc4n5cnnc5cc(Cl)c4cc3)F	6337
+C1COCCC1(c2nc(ccc2)C#N)O	1304
+c1ccccc1-c2nc(C3(CCOCC3)CNC)sc2	1971
+FC(F)(F)c1onc(-c2ccc(C(=O)NCC3(CCOCC3)c4nc(cs4)-c5ccccc5)s2)n1	227
+c1cc(ccc1COc2cc(F)cc(C3(CCOCC3)C(=O)OCC)c2)-n4ccnc4C	139
+c1cc(ccc1C2(CCOCC2)C(NCC(O)=O)=O)CCCNC(c3cccc4ccccc34)C	4
+C1COCCC1(c2ccc(cc2)Cl)C(O)=O	459
+C1COCCC1(CC#N)c2ccc(cc2)F	6338
+C1CCN(C1)CCCOc2ccc(cc2)C3(CCOCC3)C=O	24
+C1CC(CCO1)(c2cnc(nc2)C)C(N(OC)C)=O	164
+C1COCCC1(O)c2[n+](cccc2)[O-]	103
+C1COCCC1(c2nc(cs2)C)F	3709
+C1CN(CCN1c2ccc(C(Nc3c4c(n[nH]3)ccc(Cc5cc(F)cc(c5)F)c4)=O)c(NC6CCOCC6)c2)C	231
+C1CC(CCO1)N2CCC3(CC2)C(C3)C(OCC)=O	85
+CC(C)(C)C#Cc1cc(c(C(OC)=O)s1)NC2CCOCC2	2554
+CC(C)(C)OC(=O)NC1CCN(CC1)C2CCOCC2	85
+CC(C)(C)OC(NNC1CCOCC1)=O	3710
+CC(C)(C)[Si](C)(C)OCc1cccc(C2(CCOCC2)O)n1	938
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC3CCOCC3	231
+C1COCCC1NCC	87
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2nccc2nc(c1)C(NC3CCOCC3)C	87
+Cc1cc(cc(C)c1-c2c3n(nc2C)c(NCCNC4CCOCC4)cc(C)n3)Cl	87
+C1CC(CCO1)Nc2c(C)c(cc(Cl)c2)C(=O)OC	231
+FC(F)(F)c1cc(c(c(OC)c1)C(=O)NC2C(NC3CCOCC3)CCC2)SC	87
+C1CC(CCO1)Nc2ccc(F)c(C3(NC(COCC3F)=N)C)c2	231
+C1COCCC1Nc2c(Cl)nc(Cl)nc2	6339
+C1CC(CCO1)Nc2c(c(ccc2)C(=O)OC)Br	231
+C1COCCC1=Cc2c(cc(OC)cc2)[N+](=O)[O-]	846
+c1cc(ccc1)CSC2(CCOCC2)C[N+](=O)[O-]	6340
+Fc1cc(cc(F)c1)C2(CCOCC2)O	251
+C1COCCC1Nc2c(C(=O)OC)cc(s2)-c3ccc(F)cc3F	6341
+C1COCCC1N(CC)Cc2cc(ccc2-c3ccccc3)C(=O)OCC	85
+c1cc(ccc1)-c2c3cc(Cl)cc(NC4CCOCC4)c3[nH]c2	6342
+C1COCCC1N(C)CCc2ccc3[nH]c(c(c3c2)C(OCc4ccccc4)=O)C	85
+C1CC(CCO1)Nc2ccnn2Cc3ccccc3	1270
+C1COCCC12NC(=O)C(c3ccc(cc3)Cl)N2	6343
+C1COCCC1N2CCN(CC2)C=3N=CN(C(N=3)=O)Cc4ccc(cc4)Cl	85
+C1CNCCN1C(=O)C2CCOCC2	1324
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)N(C)C(C3CCOCC3)=O	192
+C1COCCC1C(Nc2cnc3cc(-c4c(noc4C)C)c(cc3c2NC(C)COC)OC)=O	308
+FC(F)(F)c1cc2N(C(=O)C3CCOCC3)CCc2c(c1)Br	192
+C1CC(CCO1)C(Nc2c(cc(cc2Cl)O)[N+]([O-])=O)=O	26
+C1COCCC1C(O)c2cc3N=CN(C(c3s2)=O)c4ccc(cc4)N5CCN(CCC5)C	2389
+O=S(=O)(C)OC(C1CCOCC1)C	7
+C1COCCC1c2nc3c(c(Cl)cc(O)c3)[nH]2	791
+C1CC(CCO1)C(Nc2c(Cl)cc(cc2N)O)=O	0
+C1CC(CCO1)C(N)=O	83
+C1CC(CCO1)C(c2ccccc2)n3c4c(c(cc(F)c4F)S(=O)(=O)C)c5c3cc(Br)cn5	6344
+FC(F)(F)c1cc(SC)c(C(=O)NC2(CN(C)CCC2)C3CCOCC3)c(OC)c1	93
+C1COCCC1C2CCN3c4c(CNCC3)cccc24	1603
+C1CN(CCO1)c2nc(Cl)nc3c2nc(CN4CC(C4)C5CCOCC5)cc3	596
+C1CC(CCO1)C2CCN(c3ccccc23)CCN	15
+C1CC(CCO1)CC(c2ccc([nH]2)-c3ccc(cn3)C(C(C)(C)O)O)n4ncc5c(ccnc45)OC	6345
+C1COCCC1CC(c2cc(n(C)n2)SC)C(C=C)=O	1152
+C1CC(CCO1)CC(C(=O)CCC(c2ncc(C(C(C)(C)O)O)cc2)=O)n3ncc4c(OC)ccnc34	3711
+C1CC(CCO1)CC(C(C=C)=O)n2ncc3c2nccc3OC	1152
+C1CC(CCO1)CC(C(=O)N(C)OC)c2nn(C)c(SC)c2	164
+C1CC(CCO1)CC(c2cc(SC)n(C)n2)C(=O)O	4
+C1CC(CCO1)CC(c2ncc(cc2)SC)C(=O)N(OC)C	978
+C1COCCC1CC(C(C=C)=O)c2ncc(cc2)SC	1152
+C1CC(CCO1)CNC(=O)Cc2csc(-c3c(n(C4CCCCC4)nc3)-c5ccc(cc5)F)n2	9
+FC(F)(F)c1ccc(cc1)CON=C(CC)c2ccc(cc2)OCC(NCC3CCOCC3)=O	9
+C1COCCC1CNc2c([N+]([O-])=O)cc(cc2)N(S(=O)(=O)c3ccccc3)C	60
+C1COCCC1CNc2c([N+]([O-])=O)cc(NC(=O)C)cc2	60
+C1CC(CCO1)CNC(c2cnc(Cl)c3c2c(ccc3)C)=O	56
+C1COCCC1CNc2n3c(nc(c2)Cl)c(Br)cn3	1005
+C1CC(CCO1)CNc2cncc(Cl)n2	464
+C1CC(CCO1)CNc2c(ncc(Br)n2)N	941
+C1CC(CCO1)CNc2nc(Br)ccc2	182
+C1CC(CCO1)CNc2c([N+]([O-])=O)ccc(Cl)n2	70
+C1CC(CCO1)CNc2ccc(F)c(n2)-c3c(Cl)cnc(c3)N	182
+C1CC(CCO1)CNC(c2cnc(-n3ncc(c3OC)C(OCC)=O)cc2)=O	3516
+C1COCCC1CNC(c2ccc(nc2)-n3ncc(-c4ccc(cc4C)C#N)c3OC)=O	800
+C1CC(CCO1)CNC(c2cnc(cc2)-n3ncc(-c4cc(C)ncc4)c3OC)=O	6346
+C1CC(CCO1)CNC(c2cnc(cc2)-n3c(OC)c(C(O)=O)cn3)=O	6
+C1CC(CCO1)CNC(c2cnc(cc2)N3C(=O)C(c4cc(ncc4)C)C=N3)=O	2477
+C1CC(CCO1)CNc2nc(ccc2N)Cl	13
+C1CC(CCO1)CNc2nc(-c3c(cnc(F)c3)Cl)cnc2N	3712
+C1CC(CCC1Nc2cc(c(cn2)Cl)-c3nc(ccc3Br)NCC4CCOCC4)NCCOC	463
+C1CC(CCO1)CNc2nc(-c3cc(ncc3Cl)F)cnc2	1940
+C1CC(CCO1)CNc2nc(-c3c(Cl)cnc(c3)F)ccc2	1238
+C1COCCC1Cn2cnc3c2nc(Cl)cc3	3713
+C1CC(CCO1)COc2nc(c(N)c(c2)N(C(=O)OCC)Cc3ccc(nc3)C)N	13
+C1CC(CCO1)COc2cc3c(NC(=O)N3Cc4cnc(C)cc4)c(N)n2	6347
+C1COCCC1Cn2c3c(nc2C(C)(C)OC)cc(N(C(=O)C)CC)cc3	76
+C1COCCC1N(C(N2C(=O)N(c3c(cccc3)Cl)N=N2)=O)CC	6348
+CN(C)Cc1ccc(-c2cc(c(C)c(c2)C(=O)NCc3c(nc(C)cc3C)O)N(CC)C4CCOCC4)cn1	315
+C1CN(CCO1)Cc2ccc(cc2F)-c3cc(C(NCc4c(O)nc(C)cc4C)=O)c(c(c3)N(C5CCOCC5)CC)C	48
+C1CC(CCO1)N(CC)c2c(C)c(cc(c2)-c3cc(F)c(cc3)C=O)C(=O)NCc4c(nc(C)cc4C)O	11
+C1CC(CCO1)N(CC)c2c(C)c(cc(-c3ccc(nc3)C=O)c2)C(=O)NCc4c(nc(C)cc4C)O	305
+C1CC(CCO1)N2C(=O)C3(N(CCOC3)c4c2cnc(-c5ccc(cc5)NC(=O)NC)n4)C	261
+C1COCCC1N2C(=O)N(Cc3ccc(OC)c(c3)OC)C(c4cc(ccc24)CNC(=O)C)=O	206
+C1COCCC1N2CCN(C2=O)C(=O)Cl	6349
+C1COCCC1N2CCN(C2=O)C(Nc3nc(c(Oc4cc(-c5ccc(C)nc5)ncc4)cc3)CC)=O	6350
+C1CC(CCO1)N2CCC(CC2)Nc3ccc(S(=O)(=O)N)cc3[N+]([O-])=O	205
+C1CN(CCC1Nc2c(ccc(Br)c2)[N+](=O)[O-])C3CCOCC3	60
+C1CN(CCC12CC2C(N3CCN(CC3)C4CC4)=O)C5CCOCC5	10
+c1cc(ccc1N2CCN(CC2)C(C3CC34CCN(CC4)C5CCOCC5)=O)OC	10
+C1CC(CCO1)N2CCC3(CC2)C(C(=O)O)C3	3
+C1COCCC1N2c3c(N(C)C2=O)cnc4ccc(cc34)-c5ccc(nc5)OCCCN(C)C	391
+C1CC(CCO1)N2C(=O)Nc3c2nc(Nc4cc(C#N)ccc4N)nc3Cl	0
+C1CC(CCO1)N2c3c(NC2=O)c(Cl)nc(Nc4cc(C#N)ccc4[N+](=O)[O-])n3	490
+C1CC(CCO1)N2c3nc(Nc4c(ccc(F)c4)[N+](=O)[O-])nc(Cl)c3NC2=O	490
+C1COCCC1N2c3c(cc(cc3)C#N)C(=O)N(C2=O)Cc4cc(c(OC)cc4)OC	160
+C1CC(CCO1)NC(=O)c2cc3c(cnn3C4OCCCC4)cc2Oc5c(cc(N)cc5)F	0
+C1CC(CCO1)NCCCCN2C(Nc3c(nc(nc23)OC(CCC)C)N)=O	1604
+C1COCCC1n2c(-c3cc(c(cc3NC(=O)C)C)Br)ccn2	2008
+C1CC(CCO1)NNC(c2c(ccnc2OC)I)=O	1325
+C1COCCC1N2c3c(C(=O)N2)c(ncc3)OC	3714
+c1cc(ccc1CC=2C(N(C3CCOCC3)c4n(C=2CCC)ncc4)=O)-c5ccccc5C#N	3242
+C1CC(CCO1)N(c2c(c(C(OC)=O)cc(Cl)c2)C)C	891
+C1COCCC1Nc2c3cnn(CC)c3nc(CC)c2CNC(=O)c4nc(ccc4)C(OC)=O	81
+C1COCCC1Nc2c3c(n(nc3)CC)nc(c2CNC(=O)c4ccc(cc4)CCCCCCCCO)CC	14
+c1ccccc1C(CO)NC(=O)c2cnc3c(cnn3CC)c2NC4CCOCC4	56
+C1COCCC1Nc2c3c(C)nn(C(C)C)c3nc(c2C(O)=O)-c4cc(O)ccc4	6
+C1CC(CCO1)Nc2c(CN)c(nc3n(ncc23)CC)CC	18
+C1CC(CCO1)Nc2n3c(nc(N4CCCC4)c2)cc(C(=O)N(C)OC)n3	1006
+FC(F)(F)C(=O)N(c1c(ccc(c1)[N+](=O)[O-])C(=O)O)C2CCOCC2	1326
+C1CC(CCO1)Nc2n3c(nc(N4CCCC4)c2)cc(C(=O)OCC)n3	790
+C1CC(CCO1)Nc2[nH]ncc2	3715
+C1CC(CCO1)Nc2cc(N3CCCC3)nc4cc(nn24)C(=O)O	6
+C1CC(CCO1)N2c3c(NC2=O)c(nc(N)n3)Cl	3716
+C1COCCC1Oc2ncc(C(=O)N3CCCN(CC3)C4CCC4)cc2	91
+C1COCCC1Oc2cccc3C(=O)c4c(CCc23)cc(cc4)Cl	419
+C1COCCC1Oc2cc(N)ncc2C#N	2009
+C1COCCC1OS(=O)(=O)C	7
+C1CC(CCO1)C(S(=O)(=O)c2ccc(cc2)Cl)c3c(F)ccc(c3)F	6351
+Fc1cc(cc(F)c1)OC2CCOCC2	20
+C1COCCC1Oc2cc(ccc2[N+](=O)[O-])F	419
+C1COCCC1OC(c2ccc(Cl)c(Cl)c2)C(=O)OC	6352
+C1CC(CCO1)Oc2ccc(cc2)Br	20
+c1cc(ccc1NC(c2cc(-c3cncnc3)c(nc2)OC4CCOCC4)=O)OC(F)(F)Cl	91
+C1COCCC1n2cc(cn2)[N+]([O-])=O	2010
+C1CC(CCO1)Oc2c3c(ccc(Cl)n3)ncn2	3717
+C1CC(CCO1)OC(c2cc(c(cc2)Cl)Cl)C(=O)Nc3sccn3	373
+C1CC(CCO1)Oc2cc(Oc3ccc(S(=O)(=O)C)nc3)cc4cc([nH]c24)C(O)=O	6
+C1CC(CCO1)Oc2c3[nH]c(C4=NCC(CC(N5CCS(=O)(=O)CC5)=O)S4)cc3cc(c2)Oc6ccc(S(=O)(=O)C)nc6	10
+C1CC(CCO1)Oc2c3[nH]c(C4=NCC(S4)CC(=O)O)cc3cc(c2)Oc5ccc(S(=O)(=O)C)nc5	3
+C1CC(CCO1)Oc2ncnc3ccc(-c4cncc(NS(=O)(=O)c5c(Cl)cc(cc5)Br)c4)nc23	3718
+C1CC(CCO1)Oc2c3[nH]c(cc3cc(c2)Oc4ccc(S(=O)(=O)C)nc4)C5=NCC(S5)CC(=O)OCC	892
+C1CC(CCO1)Oc2cc(Oc3ccc(S(=O)(=O)C)nc3)cc4cc(C(=S)N)[nH]c24	742
+C1CC(CCO1)Oc2cc(Oc3ccc(S(=O)(=O)C)nc3)cc4cc([nH]c24)C(N)=O	247
+C1CC(CCO1)Oc2cc(ccc2Nc3c4c(C)c(sc4ncn3)C(NCCCCN(C)C)=O)F	6353
+C1CC(CCO1)Oc2ccc(cc2)S(=O)(=O)Cl	6354
+C1COCCC1Sc2cc3c(ccnc3cc2OC)Nc4n[nH]c(c4C)C	607
+C1COCCC1Sc2cc3c(Cl)ccnc3cc2	1524
+C1COCCC1c2c(nccc2)Oc3ccc(cc3)N	1605
+CC1(C)C(C)(C)OB(O1)c2c(cc(cc2F)C3CCOCC3)F	1327
+C1COCCC1c2ccc(cc2)[N+]([O-])=O	31
+C1CC(CCO1)c2cnc(c(n2)-c3ccc(c(c3)F)C(=O)O)N	1
+CC(C)(C)OC(=O)NCC(c1cc(cc(Br)c1)F)NC(c2c(F)cc(-c3c(ncc(C4CCOCC4)n3)N)cc2)=O	14
+C1CC(CCC1)C(c2cc(sc2CC)C3CCOCC3)O	6355
+C1CC(CCO1)n2ncc(N)c2Cl	209
+C1CC(CCO1)n2c3ccc(cc3nc2C)-c4nc5cc(Cl)ccc5o4	1328
+C1CC(CCO1)n2nc(c3c(nccc23)O)-c4cc(C(=O)OC)sc4	104
+C1CC(CCO1)n2nc(c3c(nccc23)O)-c4cc(sc4)C(=O)O	1
+C1CC(CCO1)n2nc(c3c(nccc23)O)-c4csc(C(N)=O)c4	6356
+CC1(C)CC=C(CC1)c2c(N)ccc(C3(CCS(CC3)(=O)=O)C#N)c2	563
+C1CC1NC(Nc2ccc(cc2)-c3nc4N5CCOCC5(C)C(=O)N(C6CCS(CC6)(=O)=O)c4cn3)=O	261
+C1CS(=O)(=O)CCC1CCO	991
+C1CSCCC1N2c3c(N4C(C2=O)(COCC4)C)nc(nc3)Cl	3719
+CC(C)(C)N1CCC(CC1)=O	6357
+C12C[Se]CC(CN(C1)CCc3ccccc3)C2=O	6358
+C1N2CCN(CC2CCC1CO)c3c4c(cccc4)on3	2573
+C1CC(CN2CCCC2=O)Cc3[nH]c4c(c13)c(ccc4C(=O)N)Br	1553
+C1c2c3c([nH]c2CC(C=O)C1)c(ccc3Br)C(=O)N	378
+C1CC(Cc2c1c(OCC3CO3)ccc2)O	72
+c1nc(ncc1F)N2CCN3C(CCC(C3)Cn4ccc5c4ccc(F)c5)C2	117
+CC(C)(C1CCC(CC1)(F)F)NC(=O)N2Cc3c(C(=O)N)c(-c4cc(Cl)c(F)cc4)nn3CC2	6359
+C1CC(F)(F)CCC1Nc2nc(nc(NC3CCC(F)(F)CC3)n2)-c4nc(NN)ccc4F	1606
+C1CC(F)(F)CCC1Nc2nc(nc(NC3CCC(F)(F)CC3)n2)-c4c(ccc(N)n4)F	2574
+C1CC(CCC1(F)F)Oc2cc(F)c(C(=O)OC)cc2C3CC3	2530
+C1CC(CCN1C(=O)C(NC(=O)c2c3nc(-c4cn(CC)nc4)cnc3[nH]c2)C5CC5)(F)F	6360
+C1CN(CCC1(F)F)C(=O)c2sc3ccc(OC4CCN(CC4)C(C)C)cc3c2	867
+c1cc(ccc1)C(N2CCC(F)(F)CC2)C(=O)O	6361
+FC1(F)CCN(CC1)Cc2c3n(c(n2)Br)cccc3	879
+C1CN(CCC1(F)F)c2nc(Cl)cc(C)c2[N+]([O-])=O	43
+C1CC(CCN1CCOc2ccccc2Br)(F)F	236
+C1CN(CCC1(F)F)C(=O)Oc2ccc(cc2)[N+]([O-])=O	66
+CC(C)(C)OC(N1CCC(CC1)n2cc(cn2)-c3c(OCCC)c4c(cc3)N(C(=O)OC)C(C)CC4)=O	320
+C1CC(N(C(=O)OC)c2ccc(Br)c(OCCC)c12)C	8
+C1(Nc2cc(C(=O)OC)cnc2N3CCCC13)=O	1530
+O=S(=O)(c1ccc(cc1)F)NC2Cc3c(c(n4ccccc34)CC(=O)OCC)CC2	71
+Cc1nc(N2CCC(N3C(C)CCC3)C2)ccc1[N+]([O-])=O	43
+CC(C)(C)OC(NC(C1CCCCC1)C(=O)N2CCCC2c3cc(-n4cnc5ccccc45)ncc3)=O	10
+C1CC(NC1C(=O)OC)=O	27
+c1cc(ccc1C(Nc2c(CNC(=O)C3NC(CC3)=O)cc(F)c(Nc4[nH]nc(c4)C5CC5)n2)C)F	9
+CC(C)(C)OC(=O)N1C(CCC1=O)C(OC)=O	6362
+C1CCN(c2c([N+]([O-])=O)cc(cn2)C(=O)OC)C(C1)C(OC)=O	3720
+C1CN(CCN1)CCCOc2cccc3c2CCC(=O)N3	53
+C1(=O)C(C#N)=CN(c2cc3c(N(C(S3)=O)C)cc2)C(=O)N1C4c5cccc(Cl)c5CC4	3367
+c1cc(ccc1C#N)Nc2c3CCC(c3ncn2)OC	73
+c12C(CCc1c(cc(Br)c2F)F)O	74
+CC1(C)C(C)(C)OB(O1)c2c3c(C(=O)CC3)ccc2	17
+C1c2c(C(N)C1)cncc2Br	3721
+C=1c2cccc(Cl)c2CC=1	2576
+c12ccc(c(O)c1CCC2)C	165
+C1CC(c2ccc(C)c(OC)c12)=O	297
+C1c2c(OCOC)cccc2C(NC)C1	1607
+C1CC(O)c2cccc(c12)OC	74
+CC(C)(C)[Si](C)(C)OCC1CCC(Oc2ncnc3c2nc(-c4c5c(cccc5)ccc4)n3C6OCCCC6)C1	3722
+C1CC1n2ncc(-c3ccc4c(c3)N(c5nn(c6c5cccc6)C7OCCCC7)CC(C)N4C(=O)C)c2	3723
+c1cc(ccn1)N2CCC(CC2)C(Nc3ccc4n(C5OCCCC5)nc(-c6[nH]c7c(n6)cccc7)c4c3)=O	33
+c1(nn(C2OCCCC2)c3cc(-c4c(c(cc(OC)c4F)OC)Cl)ncc13)I	662
+C1CC1(NC(C(NC(N2CCC3(CC3)CC2)=O)CC(F)(F)C)=O)C#N	9
+CC(C)(C)OC(=O)N1C(CC(C1)S(=O)(=O)c2c(cccc2)Cl)C(NC3(CC3)C#N)=O	9
+CC(C)(C)OC(=O)NC(C[Si](C)(C)C)C(NC1(CC1)C#N)=O	9
+C[Si](C)(C)CC(NC(=O)c1cccc(I)c1)C(=O)NC2(CC2)C#N	9
+FC(F)(F)C(NC(CCC)C(NC1(CC1)C#N)=O)c2ccc(cc2)Br	9
+O=S1(=O)CCN(CC1)c2ccc(cc2)-c3nc(-c4cccc(Cl)c4F)oc3C5CCCCC5C(=O)NC6(CC6)C#N	9
+C1CC1(C#N)NC(=O)C2C(c3c(nc(-c4cc(c(cc4)F)F)o3)-c5ccc(cc5)Br)CCCC2	9
+O=S(=O)(C1CC(C(NC2(CC2)C#N)=O)C(COCc3ccc(cc3)OC)C1)c4ccc(F)cc4Cl	271
+c1cc(ccc1N2CCOCC2)-c3sc(nc3C4CCC(F)CC4C(=O)NC5(CC5)C#N)C	9
+c1cc(ccc1-c2c(C3CCCCC3C(=O)NC4(CC4)C#N)oc(n2)-c5cc(c(cc5)F)F)N6CCS(=O)(=O)CC6	79
+C1CC1(C#N)c2c(c(ccc2)C(=O)Nc3cccc(Oc4cc5sc(NC(C)=O)nc5cc4)c3)Cl	67
+c1(cc(cc(Cl)c1C2(CC2)CN)Cl)Cl	51
+C1CC1(c2ncc(cc2Cl)Br)CN	51
+c1ccccc1C2C(NCc3c(ccc(C4(CC4)C#N)c3)OC)CCCN2	42
+n1cc(cnc1C2(CC2)CN)C	51
+C1CC1(C(N)=O)c2onc(n2)-c3cc(c(C4CC4)cn3)OCC5CC5	6363
+C1CC1(C(=O)N)NC(=O)c2cccc(N)c2	0
+C1CC1(c2ccccc2C#Cc3nc(Cl)ncc3Cl)C(=O)N	838
+C1CC1(c2c(cccc2)C#Cc3nc(ncc3C)Cl)C(=O)N	838
+FC(F)(F)c1cnc(Nc2cnc(OC)cc2)nc1C#Cc3c(cccc3)C4(CC4)C(=O)N	838
+C1CC1(C(Nc2cc3cc([nH]c3cc2)C(=O)O)=O)c4cc5OCOc5cc4	6
+CN(C)C(=O)c1ccc(cc1)-c2cc(ccc2CO)NC(=O)C3(CC3)c4cc5OCOc5cc4	11
+C1CC1(C(N2CC(C(C2)Nc3c4n(cc(Br)c4)ncc3C(=O)N)OC)=O)C#N	10
+C1CC1(C#N)C(=O)N2CCC(C)C(N(c3c4c([nH]cc4)ncn3)C)C2	10
+c1cc(ccc1CCCCCCCCCCCC)C(=O)NNC(C2(CC2)C#N)=O	708
+C1CC(CCC1)C2(CC2)C(=O)Nc3c(ccc4c3ccc(Cl)n4)Cl	33
+C1CC1(Sc2cc(N=C3SC(N4N3CCCC4)=O)c(F)cc2Cl)C(=O)OC	6364
+C1CC1(Sc2cc(c(F)cc2Cl)N=C=S)C(=O)OC	333
+C1CC1(c2cc3c(cc2)ocn3)C(=O)OC	2577
+C1CC1(C(=O)OCC)c2ccc(cc2)-c3c(OC)cc(cc3)-c4c(cc(F)s4)NC(=O)OC(C)c5cscc5Cl	2578
+c1cc(ccc1-c2c(OC)cc(cc2)-c3c(cc(F)s3)NC(=O)OC(C)c4cscc4Cl)C5(CC5)C(=O)O	3
+c1c(C)cc(cc1CC(C(NCC#N)=O)NC(c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(N)=O)=O)C	1007
+CC(C)(C)OC(N1CCC(CC1)n2ncc(Nc3nc(CCc4ccccc4C5(CC5)C(N)=O)c(cn3)C)c2)=O	486
+c1cc(ccc1OC)-c2cc3c(NC4C(CN(C(=O)C5(CC5)C#N)C4)OC)c(C(=O)N)cnn3c2	550
+c1cc(ccc1CNC(C2(CC2)NC(c3onc(OC)c3)=O)=O)-n4c5c(c(Cl)c4-c6noc(n6)C)cccc5	1585
+C1CC1(C(=O)Nc2c(C)cc(cc2)Br)C(O)=O	3
+C1CC1(C(=O)Nc2ccc(CO)c(Br)c2)c3cc4OCOc4cc3	88
+CC(C)(C)NC(c1cc2c([nH]1)ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)=O	81
+C1CC1(C(Nc2cc(c(nc2)C)-c3cccc(S(=O)(=O)N(C)C)c3)=O)c4ccc5OCOc5c4	89
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4ccc(c(n4)C5=CC(N(C=C5)CCO)=O)C	6365
+FC1(F)Oc2ccc(C3(CC3)C(Nc4ccc(c(-c5c(OC)ncc(C)c5)n4)C)=O)cc2O1	1608
+O=S(=O)(CCN1C(C=CC(c2c(ccc(NC(=O)C3(CC3)c4ccc5OC(F)(F)Oc5c4)n2)C)=C1)=O)C	3724
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4nc(C5=CN(C)C(=O)C=C5)c(C)cc4	3724
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4ccc(c(n4)-c5cc(cc(C(OC)=O)c5)O)C	362
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4ccc(C)c(-c5cccc(C(O)=O)c5)n4	140
+CC(C)(C)OC(N1CCN(CC1)C2(CC2)C(O)=O)=O	23
+C1CC1(C(OC)=O)c2cc(O)c(cc2)O	27
+c1cc(ccc1Cl)C2(CC2)C(N3CC(S(=O)(=O)c4ccccc4Cl)CC3C(OC)=O)=O	478
+c1cc(ccc1C2(CC2)C(OC)=O)OC	167
+C1CC1(C(=O)O)Nc2c(Cl)cnc(Cl)n2	4
+C1CC1(Oc2ccc(N)c(F)c2)C(OC)=O	0
+c1cc(ccc1C2(CC2)C(=O)OC)-c3csc(n3)N	2579
+C1CC1(c2[nH]c(c(n2)-c3ccc(F)cc3F)-c4nc5c(cc4)nc(NC(COCC)C)o5)C(OC)=O	3514
+C1CCN(C1)C(C2CCCN(c3ccc4c(nc(C5(CC5)c6ccccc6OC)[nH]4)n3)C2)=O	3725
+C1CC1(NC(=O)c2cccc([N+]([O-])=O)c2)C(O)=O	3
+C1CC1(Nc2nc3c(nc2C)cccc3Br)C	3726
+CC1(C)OCC(C2(CC2)O)N(C(=O)c3cn4c(nc(n4)NCc5cccc(Cl)c5)c(OC)c3)C1	211
+C1CC1(C=C(F)CO)c2ccc3c(c2)OCO3	6366
+C1CC1(c2ccc3c(OCO3)c2)C=C(F)COC(=O)C	2580
+C1CC1(c2ccc3c(cccn3)c2)c4nnc5ncc(-c6cc(F)c(C(OC)=O)cc6)nn45	3727
+c1cc(ccc1-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)C(=O)OC	3727
+C1CC1(c2cc(ncc2)Br)C(=O)O	1329
+c1cc(ccc1C(=O)OC)CCC(C=O)CCC2(CC2)CC(OCC)=O	24
+C1CC1(CCN2c3ccccc3C(C)(C)OC2=O)NCC(c4ccc(c5NC(COc45)=O)OCc6ccccc6)O	6367
+C1CC1(CCN2c3ccccc3C(C)(C)OC2=O)NCC(c4c5OCC(Nc5c(O)cc4)=O)O	16
+C1CC1(NC(=O)c2cnc(N3C(=O)C(C=N3)c4ccc(C#N)cc4OC)cc2)CCOC	56
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2cc(F)c(NC(=O)NCC3(CC3)C#N)cc2	675
+FC(F)(F)Oc1cc(Oc2nc3N(C)C(N(CC4(CC4)CO)C(=O)c3n2Cc5ccc(cc5)Cl)=O)ccc1	6368
+O=S(=O)(OCC1(CC1)c2[nH]c(-c3ccc4c(n3)oc(NC(COCC)C)n4)c(-c5ccc(F)cc5F)n2)C	3728
+C1CC1(Nc2cccc(C3CC(C)(C)c4c(c(cc(C#N)c4)C)N3)c2)C(=O)O	2012
+CC(C)(C)[Si](C)(C)Oc1c(OC)ccc(CNC2(CC2)C(OC)=O)c1	1528
+C1CC1(C(OC)=O)Nc2c(Cl)cnc(Cl)n2	2581
+c1cc(ccc1)CN2c3c(-c4cccnc4)nc(C(NC5(CC5)C(OCC)=O)=O)c(c3C=C(c6ccccc6)C2=O)O	1008
+CC(C)(C)OC(NC1(CC1)CCO)=O	37
+c1cc(ccc1)-c2cc(Nc3ccc(cc3)CC(C(O)CNC4(CC4)c5cc(ccc5)C(C)C)NC(C)=O)ncn2	122
+Fc1cccc(F)c1COc2c3n(c(C(=O)NC4(CC4)c5ccc(c(c5)F)F)c(C)n3)cc(n2)C	312
+c1cc(ccc1F)-c2c(C(=O)NC)c3cc(ccc3o2)-c4c(C)ccc(C(=O)NC5(CC5)c6ncc(C)o6)c4	14
+C1CSCCN1C2(CC2)C(=O)N3C(C(NC4(CC4)C#N)=O)CC(S(=O)(=O)c5ccccc5Cl)C3	348
+C1CC1(C(=O)N)NC(=O)c2cccc([N+]([O-])=O)c2	83
+C1CC1NC(c2cc(N3C=CN=C(NC4(CC4)c5c(O)cccc5)C3=O)c(C)cc2)=O	513
+C[Si](C)(C)C#Cc1ccc(cc1)C2(CC2)NCc3ccccc3	263
+O=S(=O)(N)OC1(CC1)C	2419
+CC(C)(C)OC(=O)Nc1onc(c1)-c2cc(-c3ccc(cc3)C(=O)N4CCN(CC4)C(C5(CC5)O)=O)ccc2	10
+FC(F)(F)c1ccc(c(c1)CN(C(C2(CC2)O)=O)CC)-c3cc(ccc3OC)CC(OCC)=O	10
+CC(C)(C)[Si](C)(C)OC1(CC1)CC(c2c(F)ccc(Br)c2)=O	655
+C1CC1(OC(=O)c2ccccc2)CCOC3OCCCC3	47
+C1CC1(COC)OS(=O)(=O)N	6369
+CC(C)(C)[Si](C)(C)OC1(CC1)c2c[nH]cn2	19
+CC(C)(C)OC(=O)NC(C)(C)CCNc1c(C2(CC2)O)cccc1	291
+c1ccccc1C(OC2(CC2)CCO)=O	168
+C1CCCCC1C(n2c(nc3c2cccc3)-c4ccc(cc4)Cl)C(=O)Nc5ccc(cc5F)OC6(CC6)C(=O)OC	33
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(Nc4ccc(cc4F)OC5(CC5)C(OC)=O)=O)C6CCCCC6	33
+CC(C)(C)OC(N1C(CC2(C(C)(C)C23CCC3)C1)C(NC4(C(NS(=O)(=O)C5(CC5)CCC)=O)CC4C=C)=O)=O	207
+C1CC1(C(=O)OC)Sc2cc(c(F)cc2Cl)N	27
+C1CC1(C(=O)OC)Sc2cc(NC(N3NCCCC3)=S)c(F)cc2Cl	6370
+C1CC1(CO)c2nc(-c3ccc(F)cc3F)c([nH]2)-c4ccc5c(n4)oc(NC(COCC)C)n5	95
+C1CC1(C#N)c2c(Cl)c(ccc2)C(=O)O	1
+C1CC1(c2ccc(nc2Cl)Cl)CN	51
+C[Si](C)(C)C#Cc1ccccc1C2(CC2)C(N)=O	311
+C1CC12COc3c2c(OCOC)ccc3C	126
+C1CC1(C(N)=O)c2ccccc2CCc3nc(ncc3C)Cl	801
+C1CC1(C(O)=O)c2cc(O)c(O)cc2	459
+C1CC1(c2ccc(O)c(c2)[N+](=O)[O-])C(=O)OC	5
+C1CC1(c2cc(ccc2)[N+]([O-])=O)C(=O)N	527
+C1CC1(c2cc(N)ccc2)C(=O)N	0
+CC(C)(C)OC(=O)NC1(CC1)c2ccnc(Br)c2	6371
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4nc(c(c(C)c4)C)-c5cc(c(nc5)O)C)=O	104
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4cc(c(C)c(-c5ccc(O)nc5)n4)C)=O	104
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)C3(CC3)c4cc5OCOc5cc4)ccc2C	17
+c1cc(ccc1CO)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C	11
+C1CC1(C(Nc2cc(c(cc2)COC)Br)=O)c3cc4OCOc4cc3	49
+C1CC1(C(=O)O)c2ccc3ocnc3c2	4
+C1CC1(C=O)c2ccc3ncccc3c2	2013
+C1CC1(c2ccc(cc2F)C#CC(CC=3OC(C)(C)OC(=O)C=3)(O)C4CCCC4)C#N	3729
+C1CC(CCC1)NC(C2(CC2)c3c(F)cc(cc3)Br)=O	68
+C1CC1(c2ccc(Br)cc2F)C(=O)Cl	130
+C1CC1(C(=O)OC)c2ccc(O)c(c2)N	0
+C1CC1(c2cc(O)c(O)cc2)C#N	16
+C1CC1(c2ccc(cc2)Br)C(O)=O	1588
+C1CC1(C(N)=O)c2ccc(cc2)-c3ccc(cc3)C(O)=O	11
+C1CCC(C1)(O)c2ccc(cc2)C3(CC3)C(=O)O	251
+c1cc(ccc1C2(CC2)C(OCC)=O)Br	27
+c1cc(ccc1Br)C2(CC2)C(=O)NS(=O)(=O)C	344
+CC(C)(C)OC(=O)NC1(CC1)c2ccc(cc2)Br	37
+c1cc(ccc1C2(CC2)C#N)N	1497
+CC1(C)OC(=CC(=O)O1)CC(C2CCCC2)(CCc3cc(c(C4(CC4)C#N)cc3)F)O	213
+C1CC1(c2ccc(cn2)Br)C(=O)N	1004
+c1cc(ccc1-c2cnc(C3(CC3)C(N)=O)cc2)C(N4C(=O)NC(CC4)(CC(C)(C)O)c5ccccc5)C	156
+C1CC1(CNC(c2c(nccc2)Cl)=O)c3c(nc(cc3)Cl)Cl	56
+C1CC1(C(Nc2nc(c(C)cc2)Cl)=O)c3ccc4OC(F)(F)Oc4c3	195
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4cc(C)c(c(Cl)n4)C	195
+CC(C)(C)c1[nH]c2ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)cc2c1	33
+CC(C)(c1[nH]c2ccc(cc2c1)NC(=O)C3(CC3)c4cc5OCOc5cc4)CO	33
+C1CC1(c2ccc3c(c2)OCO3)C(=O)Cl	130
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4ccc5[nH]c(cc5c4)C(CO)C	33
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4cc5cc([nH]c5cc4)C(C(OCC)=O)C	33
+C1CC1(C(Nc2cnc(C)c(c2)Br)=O)c3ccc4OCOc4c3	469
+c1ccccc1Oc2c(F)ccc(c2)CC(F)=CC3(CC3)c4ccc5c(OCO5)c4	6372
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4cccc(-c5ccc(cc5)S(=O)(=O)NC)c4	26
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncc(cc2)-c3cn4c(nc3)ncc4C5(CC5)c6cc7cccnc7cc6	2583
+C1CC1(c2cnc3ncc(cn23)-c4ccc(cc4)OCC(N5CCCC5)=O)c6cc7cccnc7cc6	2583
+C1CC1(c2ccc3c(cccn3)c2)c4nnc5ncc(nn45)-c6ccc(C(O)=O)c(F)c6	1
+C1CC1(c2ccc3c(cccn3)c2)c4nnc5ncc(-c6ccc(c(F)c6)C(NCC)=O)nn45	14
+C1CC1(C(=O)O)C2CCCCC2	6373
+C1CC1(c2ccccc2)C(OC)=O	325
+C1CC1(c2ccccc2I)C(O)=O	184
+C1CC1(c2ccccc2CCc3c(cnc(n3)Cl)Cl)C(N)=O	801
+C1CN(CCC1n2cc(Nc3nc(CCc4c(cccc4)C5(CC5)C(N)=O)c(cn3)Cl)cn2)C	486
+C1CC1(c2ccccc2CCc3c(cnc(Nc4cnc(C(N)C)cc4)n3)Cl)C(N)=O	6374
+C1CC1(c2c(I)cccc2)C(=O)N	83
+C1CC1NC(c2cc(N3C(C(NC=C3)=NC4(CC4)c5ccccc5OCCNCC(O)C)=O)c(C)cc2)=O	284
+C1CC1(C=O)c2ccnc(Br)c2	2013
+C1CCCN1c2ncc(cc2)C3(CC3)C(=O)OCC	43
+C1CCCN1C(C2CCCN(C2)c3ccc(c(N)n3)NC(=O)C4(CC4)c5cccnc5)=O	469
+FC(F)(F)c1nccnc1C(=O)NCC2(CC2)c3c(Cl)cc(Br)cn3	312
+c1nc(ncc1C)C2(CC2)NC(c3ccc(C)c(c3)-c4cc5c(c(-c6ccc(cc6)F)oc5cc4)C(=O)NC)=O	14
+CC(C)(C)OC(NC1(CC1)c2ncccc2)=O	37
+CC(C)(C)S(N=C1c2cc(ccc2CCC13CC3)Br)=O	2552
+FC(F)(F)Oc1cc(ccc1)N2CCN(C(=O)CC2)C(CCN3CCC4(CC4)C(O)C3)C(OC)=O	61
+C1CC12C(CN(C(=O)CCN3C(=O)C(C)N(CC3)C(=O)C=Cc4cc(Cl)c(cc4)F)CC2)O	10
+C1CC12c3c(c(F)cc(c3)-c4ccc(C#N)n4C)NC2=O	3730
+C1CC12c3ccncc3N(Cc4cc5c(c(cc(Cl)c5)F)n4CCC(OCC)=O)C2=O	6375
+C1CC12c3ccncc3N(Cc4nc5c(c(cc(c5)Cl)F)n4C6CCS(=O)(=O)C6)C2=O	3731
+O=S1(=O)CC2(CC(C2)n3c4ccc(Cl)cc4nc3CN5C(=O)C6(CC6)c7ccncc57)C1	3731
+Fc1cc(cc(F)c1)-c2ccc3c(c2)C4(NC(=N)C(C)=N4)C5(CC5)CC3	6376
+C1CC12C3(NC(=N)C(C)=N3)c4cc(ccc4CC2)-c5cc(C#N)cc(F)c5	6377
+FC(F)(F)c1ccc(cc1)CN2CCC3(CC3)CC2(C)C(NC(C)c4ccc(cc4)C(OC)=O)=O	1330
+C1CC12N(C(CC2)CO)C	168
+c1cc(ccc1)CN2CC(O)C3(CC3)CC2	100
+FC(F)(C)CC(C(OC)=O)NC(=O)N1CCC2(CC2)CC1	3508
+n1cc(cnc1Oc2c3C4(CC4)CCOc3ccc2)[N+]([O-])=O	893
+C1CC12CCOc3c2c(O)ccc3	241
+C1CC12C3(c4cc(ccc4CC2)Br)N=C(C(C)=N3)N	6378
+CC(C)(C)OC(=O)n1ccc2c(ncnc12)N3CC4(CC4)N(S(=O)(=O)NC5CCC5)CC3	6379
+C1CC(CCC1)N2CC3(CC3)C(=O)N(c4c2nc(nc4)Cl)C	998
+CC(C)(C)OC(=O)N1C(CC2(CC2)C1)CO	23
+CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(Oc2ccc(c3c2C4(CC4)CO3)C)nc1)CC	469
+C1CC12COc3c(ccc(c23)Oc4ccc(N)cn4)C	13
+C1CC12COc3c(ccc(c23)Oc4ncc(cc4)[N+](=O)[O-])C	136
+c1nc(ncc1[N+]([O-])=O)Oc2ccc(c3c2C4(CC4)CO3)C	893
+C1CC12COc3c2c(O)ccc3C	241
+c1(C)cc(cc(C)c1-c2c(c(CNc3ccc4C(CC(=O)OC)C5(CC5)Cc4c3)ccc2)C)OCC6COC(C)(C)O6	208
+C1CC12CCC(COS(=O)(=O)C)N2C	7
+C1CC12CN(CCN2S(=O)(=O)NC3CCC3)c4c5cc[nH]c5ncn4	6380
+C1CC12CN(c3c2c(C)nc(n3)-c4ccc(OC)c(c4)F)c5cc(OCC(=O)N(C)C)ccc5	648
+C1CC12c3ccncc3N(Cc4cc5c(c(cc(Cl)c5)F)n4CCC(O)=O)C2=O	3
+C1CC1Sc2c(cccc2)Br	6381
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)Nc2c(C#CC3CC3)cccc2	121
+FC(F)(F)C(=O)NCc1cc(C2=NN(C(=O)N2)c3c(F)cc(cc3)C#CC4CC4)c(Cl)cc1	3732
+CC(C)Oc1cc(ccc1C#CC2CC2)C(=O)NS(=O)(=O)c3ccccc3S(=O)(=O)N	197
+C1CC1C#CCOS(=O)(=O)c2ccc(cc2)C	2390
+C1CC1C#CCOc2ccc(cc2)Cc3c(ccc(C4C(O)C(O)C(O)C(CO)O4)c3)Cl	6382
+CC(C)(C)C(NCc1cc(C2=NN(C(=O)N2)c3c(F)cc(cc3)C#CC4CC4)c(Cl)cc1)=O	3733
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C	792
+C1CC1(c2ccc(cn2)Br)C#N	6383
+O=S(=O)(c1cc(ccc1C(=O)c2c(onc2)C3CC3)Cl)C	6384
+C1CC1C=2C(=C3N(C(=O)C=2CCCC)c4ccccc4N3)C#N	3734
+c1cc(ccc1Cl)-c2c(n[nH]c2N)C3CC3	2014
+C1CC1c2c3c(n(-c4c(Cl)cc([N+](=O)[O-])cc4)n2)-c5sc(NC(C)=O)nc5CC3	6385
+C1CC1c2n[nH]c(c2)C3CC3	3735
+C1CC1C(=O)C(=CN(C)C)C(c2ncc(cc2Cl)Cl)=O	6386
+C1CC1c2nc(O)c(C#N)c(c2)C	3346
+FC(F)(F)Oc1ccccc1-c2noc(C3CC3)c2C(OC)=O	3495
+C1CN(CCN1c2cc([N+]([O-])=O)ccc2OC)C(C3CC3)=O	58
+C1CN(CCN1C(C2CC2)=O)c3ccc(cc3)C(=O)O	58
+C1CC1C(Nc2cc(ccc2)-c3ccc(nn3)N4CCN(CC4)C5CC5)=O	26
+C1CC1C(N2CCC(CC2)C(=O)OCC)=O	58
+C1CC1C(N2C(C)CCc3c2cccc3OC)=O	192
+C1CC1C(N2CC(CC2)C#N)=O	1324
+C1CC1C(N2CCC(C2)CC(OCC)=O)=O	1324
+c1cc(ccc1Br)-c2nc(C)c(C)n2CC3CN(C(=O)C4CC4)CC3	1324
+CC(C)(C)OC(=O)NCc1ccc(cc1)-c2csc(NC(C3CC3)=O)n2	290
+CC(C)(C)OC(=O)Nc1cc(Oc2cn3c(nc(n3)NC(=O)C4CC4)cc2)ccc1Cl	784
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(ncc2Cl)[nH]cc3NC(C4CC4)=O)C1	308
+CC(C)(C)OC(NC1CN(CC1)C(=O)C2CC2)=O	58
+CC(C)(C)OC(Nc1c(F)ccc(Oc2ccc3nc(sc3n2)NC(C4CC4)=O)c1)=O	290
+CC(C)(C)OC(Nc1c(ccc(c1)Oc2ccc3nc(nn3c2)NC(=O)C4CC4)C)=O	784
+CC(C)(Cn1c2c3ccccc3nc(N)c2nc1CONC(C4CC4)=O)O	3736
+FC(F)(F)C(N1c2c(N(CC1C)C(C3CC3)=O)cc(cc2)Br)=O	192
+FC(F)(F)C(=O)Nc1cc(N(c2nc3sc(NC(C4CC4)=O)nc3cc2)C)ccc1F	290
+FC(F)(F)c1c(CN(C(=O)C2CC2)Cc3ncccc3)ccc(C=CC(C(F)(F)F)c4cc(Cl)c(c(c4)Cl)Cl)c1	58
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3sc(NC(=O)C4CC4)nc3cc2)c(Cl)cc1F)=O	290
+FC(F)(F)C1(Cc2cc(ccc2O1)-c3c(F)c(NC(C4CC4)=O)ccc3)c5cc(Cl)cc(Cl)c5	26
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)Cc3c(O1)ccc(-c4cccc(NC(C5CC5)=O)c4)c3	26
+FC(F)(F)c1ccc(-c2cc(CC#N)ccc2OC)c(CN(CC)C(C3CC3)=O)c1	58
+FC(F)(F)c1cc(cc(c1)NC(=O)C2CC2)-c3cnco3	26
+C1CC1C(Nc2cc(-c3nn(C)c(OC(F)F)c3Cl)ccc2Cl)=O	26
+C1CC1C(Nc2c(ccc([N+](=O)[O-])c2)F)=O	26
+C1CC1C(=O)Nc2cc(ccn2)[N+](=O)[O-]	195
+c1cc(ccc1)S(=O)(=O)c2c([nH]c3ccc(cc23)Cl)NC(=O)C4CC4	195
+C1CC1C(Nc2c[nH]c3ncc(OCC)c(F)c23)=O	308
+C1CC1C(N2CC(CNc3c([N+]([O-])=O)ccc(c3)F)CC2)=O	58
+C1CC1C(Nc2cccc(Br)c2)=O	26
+C1CC1C(N2CC(CC2)Nc3c4c(n(CC)c(C(=O)OC)n4)ncn3)=O	58
+C1CC1C(Nc2ncc3cc(ccc3c2)Br)=O	195
+C1CC1C(Nc2cn3c(ccc(n3)I)n2)=O	1841
+C1CC1C(N(CC)Cc2c(ccc(F)c2)-c3c(OC)ccc(CC(OCC)=O)c3)=O	58
+C1CC1C(Nc2ccc(c(OC)c2)-c3oc(-c4c(-c5ccccc5)noc4C)nn3)=O	26
+C1CC1C(=O)N(Cc2ccccc2)CCn3c4ncnc(N)c4c(-c5cc(cc(O)c5)F)n3	58
+c1cc(ccc1)N2C(=O)C(=C3COCCN23)C(=O)Nc4cc(c(Oc5ccnc(c5)NC(C6CC6)=O)cc4)F	195
+c1cc(ccc1-c2ccc3nnc(n3c2)Sc4ccc5c(sc(NC(=O)C6CC6)n5)c4)F	290
+c1cc(ccc1-c2n(c3cc(ccc3c2C#N)OCC)CC)NC(=O)C4CC4	26
+C1CC1C(Nc2ccccc2Oc3nc(Cl)ncc3Cl)=O	26
+C1CC1C(=O)Nc2nn3c(ccc(c3)Oc4cc(C)cc(c4)NC(=O)c5n(nc(C)c5)C)n2	784
+C1CC1C(=O)NC2c3c(c(-c4ccc5N(C)C(=O)CCc5c4)cnc3)CCC2	68
+C1CC1C(=O)Nc2nn3cccc(Br)c3c2	195
+C1CC1C(=O)Nc2ncc(c(c2)NC(=O)c3c(Cl)cc(cc3Cl)Cl)F	1153
+C1CC1C(=O)N2C(C)CCc3c(OC4CCC4)c(-c5c(n(C6CC6)nc5)NS(=O)(=O)C)ccc23	802
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-n3c4c(C(=O)N(C=N4)CC5(CCN(CC5)C(=O)C6CC6)O)cn3	17
+C1CN(CCC1C(=O)N2CC(C(CC2)N(C(c3ccc(cc3)Br)=O)C)c4cc(c(Cl)cc4)Cl)C(=O)C5CC5	10
+c1cc(ccc1-c2cc3c(c[nH]n3)cc2)-c4nc5c(cc(F)cc5)n4CC6CN(CC6)C(=O)C7CC7	803
+C1CNCCN1CC2CC2	15
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c2)N(CC(C)N3)C(C4CC4)=O	17
+C1CC1c2n3c4cc(Br)ccc4ncc3nn2	6387
+c1cc(ccc1N2C(=CC=C(C(Nc3ccc(cc3)Oc4ccc5n(c4)cc(NC(=O)C6CC6)n5)=O)C2=O)CC)F	6388
+C1CC1C(=O)Nc2nc3n(n2)cc(cc3)Oc4cc(c(cc4)C)NC(=O)c5c(C)sc(C)n5	2015
+C1CC1C(=O)Nc2nc3n(cc(Oc4ccc(c(c4)NC(c5c(nn(CC)c5)C)=O)Cl)cc3)n2	3737
+CC(C)(C)OC(=O)N1CCC(C1)Oc2ccc(cc2)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5	3738
+c1cc(ccc1-c2c3n(ccc2)nc(c3)NC(=O)C4CC4)C=O	1009
+FC(F)(F)Oc1cc(ccc1)C(=O)Nc2c(cc(Cl)c(Oc3c(C#N)c4sc(NC(=O)C5CC5)nc4cc3)c2)F	67
+C1CC1C(=O)C(c2ccc(cc2)Cl)C#N	1260
+c1ccc(C)cc1C(CCCCl)=O	6389
+Clc1cc(cc(Cl)c1O)-c2ccc3ncc(c(c3c2)NC4CCC(CC4)CN5CC(O)CC5)C(C6CC6)=O	99
+C1CC1C(c2cnc3c(c2Cl)cc(Br)cc3)=O	120
+C1CC1C(Oc2cccc3ccccc23)C(OCC)=O	289
+C1CC1C(C(Nc2ccc(cc2)Cl)=O)Oc3c4c(cccc4)ccc3	33
+C1CC1C(=O)CC(=O)C2CC2	3739
+C1CC1C(=O)CC(C)=O	6390
+C1CC1C(CC(=O)C(=O)OCC)=O	1135
+C1CC1C(=O)CC(=O)c2c(cc(cn2)Cl)Cl	6391
+C1CC1C(Nc2c3cc(cn3ncc2C(=O)N)Br)C	719
+C1CC1C(NCCCn2c3ncnc(N)c3nc2Sc4cc(Cl)cc(c4)Cl)C	132
+c1cc(ccc1Cl)Cn2c3c(NC(C4CC4)C)nc(nc3nc2-c5c(ccc(C)c5)OCCC=C)Cl	516
+C1CC1C(C)n2ncc(-c3nc(cc4nccn34)-c5cnn(C)c5)c2	2010
+C1CC1C(C)Oc2cccc(C(OC)=O)c2	20
+C1CC1C(Oc2cccc(c2)C(O)=O)C	1
+C1CC1C(C2CC2)(O)C#Cc3ccc(cc3)C(NS(=O)(=O)c4c(cccc4)S(=O)(=O)N)=O	121
+c1cc(ccc1OC)Cn2ncc3c2nc(cc3C(OCC)=O)C4CC4	3740
+CC(C)(C)Cc1nc(ccc1-c2cc(ccc2F)OC)COc3cc(ccc3F)C(CC(=O)OC)C4CC4	412
+CC(C)(C)Cc1c(ccc(n1)COc2cccc(C(CC(=O)OC)C3CC3)c2)-c4cc(OC)ccc4F	1538
+CC(C)COc1cc(COc2cccc(C(CC(OC)=O)C3CC3)c2)c(nc1-c4cc(OC)ccc4F)OC	20
+CC(C)(C)CCc1c(OCc2cccc(C(C3CC3)CC(=O)OCC)c2)ccc(-c4cc(ccc4F)OC)c1	20
+C1CC1C(=O)C(CCCC)C(=O)OCC	6392
+C1CC1c2nc(on2)C3CN(CC(C3)c4ccc(cc4)OC(F)F)C(=O)N5CCS(CC5)(=O)=O	2584
+c1ccccc1Oc2c3c(ccc2Br)N(C(C4CC4)=O)C(CC3)C	472
+C1CC1C(N2C(C)CCc3c(cccc23)O)=O	5
+C1CC1CN2C3Cc4ccc(OCC)cc4C5(CC2)COCCC35	15
+C1CC1C(N2C3C4CCOCC4(CC2)c5c(C3)ccc(OCC)c5)=O	116
+C1CC1C(=O)N2CC(CC2)CN	51
+C1CC1C(N2CC(CC3=NNC(=O)N3c4c(F)cc(c(c4)F)Br)CC2)=O	2585
+C1CC1C(N2CC(CC3=NNC(=O)N3c4cc(F)c(-c5ccc6occc6c5)cc4F)CC2)=O	99
+C1CC1C(=O)N2CCC(Cn3c(-c4ccc(cc4)Br)nc5c3cc(F)cc5)C2	1301
+C1CC1C(N2CC(CNc3c(N)ccc(c3)F)CC2)=O	0
+C1CC1C(N2CC(CC2)CC(=O)NNC(Nc3c(F)cc(c(c3)F)Br)=O)=O	3741
+C1CC1C(N2CC(CC2)CC(=O)NNC(Nc3ccc(c(F)c3F)Br)=O)=O	3741
+FC(F)(F)c1c(NC(NNC(=O)CC2CN(C(=O)C3CC3)CC2)=O)ccc(Br)c1	3742
+c1cc(ccc1Br)NC(=O)NNC(=O)CC2CN(C(=O)C3CC3)CC2	3742
+C1CC1C(N2CCC(C2)CC(=O)NN)=O	743
+C1CC1C(=O)N2CCC(CC2)C(O)=O	3
+c1ccccc1C(C)NC(C2CC2)CN	51
+C1CC1C(NC2COC3C(N)COC23)=O	18
+CCC(CC)Oc1cc(C(NC2COC3C(COC23)NC(C4CC4)=O)=O)ccc1	14
+c1cc(ccc1Oc2cccc(C(NC3C4OCC(C4OC3)NC(C5CC5)=O)=O)c2)OCC	14
+CC(C)(C)OC(=O)NNc1cc(CNC(C2CC2)=O)ccc1Cl	1609
+C1CC1c2oc(-c3c(N)ncc(Br)c3)nn2	3743
+c1cc(ccc1-c2nc(C3c4nnc(C5CC5)n4CCC3)n6c2c(ncc6)NCc7c(OC)cc(cc7)OC)C(=O)OC	6393
+C1CC1c2nnnn2-c3c(F)ccc(c3)[N+](=O)[O-]	6394
+C1CC1C(Nc2c(cnn3cc(cc23)-c4cc(ccc4)C=C)C(=O)N)C	550
+CC(C)(C)OC(NC1CN(CCC1)c2c3c(NC(C4CC4)=O)c[nH]c3ncc2OCC)=O	1610
+c1cc(ccc1)-c2noc(C)c2-c3oc(nn3)-c4ccc(cc4OC)N(C(C5CC5)=O)C	239
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)C3CC3)ccc2	17
+C1CC1C(Nc2nc3n(nc(Oc4ccc(Cl)c(NCc5cc(C)nn5C)c4)cc3)c2)=O	2586
+C1CC1C(Nc2nc3n(nc(cc3)Oc4ccc(c(N)c4)C)c2)=O	2586
+C1CC1C(Nc2nc3n(nc(Oc4ccc(F)c(N)c4)cc3)c2)=O	2586
+FC(F)(F)c1cc(Cl)c(cc1)NC(Nc2cc(N(c3nc4sc(NC(=O)C5CC5)nc4cc3)C)ccc2F)=O	124
+FC(F)(F)c1cccc(CNC(Nc2c(ccc(c2)Oc3ccc4nc(sc4n3)NC(C5CC5)=O)F)=O)c1	675
+C1CC1C(Nc2nc3n(nc(Oc4cc(NC(c5sc(C)nc5OC)=O)c(cc4)F)cc3)c2)=O	6395
+C1CC1C(Nc2nc3n(nc(Oc4cc(NC(c5cc(C)nn5CCOC)=O)c(cc4)F)cc3)c2)=O	187
+C1CC1C(=O)Nc2nc3ccc(Oc4cc(NC(=O)C5CCCC5)c(C)cc4)nn3c2	26
+C1CC1C(Nc2ncc3cc(-c4cc(ccc4C)NC(N5CCOC(CO)C5)=O)ccc3c2)=O	2016
+C1CC1C(Nc2ncc3c(ccc(-c4c(C)ccc(N)c4)c3)c2)=O	99
+C1CC1C(Nc2ncc3c(ccc(-c4c(cc(cc4)Cl)C)c3)c2)=O	11
+C1CC1C(c2c(O)c(Br)ccc2)C	564
+C1CN(CCN1c2ncc(c3ccccc23)[N+]([O-])=O)C(=O)C4CC4	10
+C1CN(CCN1C(OCc2ccccc2)=O)C(=O)C3CC3	10
+C1CC1C(NC2C3C(OC2)C(CO3)N=[N+]=[N-])=O	9
+FC(F)(F)c1ccc(-c2c(ncc(Br)c2)OC)c(c1)CN(CC)C(C3CC3)=O	10
+C1CC1C(=O)Nc2sc3nc(ccc3n2)Cl	373
+C1CC1C(=O)NNc2cnc3c(n2)cc(cc3)Br	355
+C1CC1C2Oc3cc(Cl)ccc3-c4c2cncc4	57
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C=2C(c3ccccc3)C(O)(ON=2)C4CC4	6396
+C1CC1C(Oc2cccc(c2)CCl)C	1331
+C1CC1C(Oc2cc(ccc2)CO)C	49
+C1CC1C(C(O)=O)Oc2c3c(cccc3)ccc2	3
+C1CC1C(c2cccc(Br)c2OCc3ccccc3)C	22
+C1CC1C(CC(=O)OC)c2cc(c(F)cc2)O	5
+C1CC1C(=O)c2cc3c4c(ccc3cc2)ccc(c4)Cl	155
+c1cc(ccc1C(=C(C=Cc2ccc(F)c(Oc3ccccc3)c2)F)C4CC4)Cl	6397
+C1CC1C(CC(=O)OC)c2cccc(c2)O	27
+C1CC1C(c2cnc3ccc(cc3c2Nc4ccc(nc4)NCCN(C)C)Br)=O	1332
+C1CC1C(=O)c2c(Nc3ccc(nc3)NCCN(C)C)c4cc(ccc4nc2)-c5cc(Cl)c(O)c(F)c5	99
+CC(C)(C)[Si](C)(C)OC(c1nccs1)C2CC2	19
+C1CC1C(CC#N)n2cc(cn2)-c3nc(cc4n3c(cn4)Cl)-c5cn(C)nc5	6398
+C1CC1C(CC#N)n2ncc(-c3nc(-c4cn(C)nc4)cc5n3c(I)cn5)c2	6399
+CC(C)(CO)n1ncc(c1)Nc2nc(N3C(=O)C(C4CC4)(C#N)CC3)ccn2	486
+C1CC1C2(C(N(c3ccnc(Nc4ncc(cc4)C=5NC(ON=5)=O)c3)CC2)=O)C#N	834
+C1CC1C2(C3CC3)c4c(NC(O2)=O)ccc(-c5cc(C#N)cc(F)c5)c4	160
+C1CC1C2(C3CC3)OC(Nc4ccc(cc24)-c5cc(cc(c5)Br)F)=O	11
+c1nc(ncc1)NC2C(C)C(N(c3c2cc(cc3)Br)C(=O)C)C4CC4	1333
+C1CC1C2N(c3ccc(cc3C(C2C)Nc4cccc(n4)C)-c5cn(nc5)CCOC)C(=O)C	340
+CC(C)(C)OC(NC(COc1cc2OC(C3CC3)c4c(ccnc4)-c2cc1)CC(C)C)=O	556
+c1cc(ccc1C(NCCCN(C)C)=O)N2C(C=3C(=N2)c4ccccc4NC=3C5CC5)=O	93
+C1CC1C(n2cc(cn2)-c3n4c(ncc4)cc(-c5cnn(C)c5)n3)CC#N	3744
+CC(C)(C)OC(N(CC1CC1)C2CC2c3cc(C(=O)OC)ccc3)=O	6400
+CC(C)(C)OC(N1CCC(CC1)N2CCN(CC2)CC3CC3)=O	61
+C1CC1CN2CCc3c(ccc(Oc4ncc(-c5onc(n5)C)cc4)c3)CC2	61
+C1CC1C(c2cc3c(cc2)ccc4ccc(Cl)cc34)O	1482
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(N)ncnc4n(CC5N(CCC5)C(C(=CC6CC6)C#N)=O)n3)F	847
+C1CC1CN2Cc3c(nc(nc3N4C(C)COCC4)Cl)C2	61
+c1cc(ccc1)CN(Cc2ccccc2)C(C(O)C3CC3)C(=O)OCC	6401
+c1cc(ccc1-c2c3c(N)ncnc3n(CC4N(CCC4)C(C(=CC5CC5)C#N)=O)n2)Oc6cc(F)cc(c6)F	847
+c1cc(ccc1-c2nn(C3CN(CCC3)C(C(=CC4CC4)C#N)=O)c5ncnc(c25)N)Oc6c(cccc6)F	847
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6c(ccc(F)c6)F	847
+C1CC1CN(CC2CC2)CCn3ccc4c3ccc(C#Cc5ncc(cc5)-c6ccc(cc6)Cl)c4	61
+Clc1cc(cc(Cl)c1)NC(N(CC2(CCN(CC2)CC3CC3)c4ccc(cc4)I)C)=O	61
+C1CC(CCN1CC2CC2)Oc3ccc(cc3)NC(=O)C4CN(C4)c5cnccc5	61
+c1ccccc1Oc2cc(c(cc2)-c3nn(CC4N(CCC4)C(C(=CC5CC5)C#N)=O)c6ncnc(N)c36)F	847
+FC(F)(F)c1cc(N(C(C)(C)C)CC2CC2)ccc1[N+]([O-])=O	936
+CC(C)(C)OC(=O)N1CC2(CN(CC2)c3ccc(cc3F)N4C(=O)c5c(cc(OCC6CC6)cc5)C=C4)CC1	8
+CC(C)(C)OC(=O)N1CCC(CC1)OCC2CC2	176
+CC(C)(C)OC(N1CCC=2C(COCC3CC3)(C1)Cc4cnn(c4C=2)-c5ccc(cc5)F)=O	176
+CC(C)(C)OC(NC1C(c2ccccc2)Oc3c(cccc3)N(CC4CC4)C1=O)=O	988
+CC(C)(C)OC(N(c1c(CC)nn2c(cccc12)Br)CC3CC3)=O	6402
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(=O)NC2=C(N(C(N(Cc3ccccc3F)C2=O)=O)CC4CC4)N	6403
+CC(C)(C)OC(N1CC(c2cc(OCC3CC3)ccc2C1)O)=O	8
+CC(C)(C)OC(N1CCC(CC1)CCc2noc3c(CO)c(ccc23)OCC4CC4)=O	8
+CC(C)(C)OC(NC(C)COC1CCN(CC1)c2oc3cc(OCC4CC4)ccc3n2)=O	8
+CC(C)(C)OC(=O)NC1C(=O)N(C(CCC1)c2ccccc2)CC3CC3	638
+CC(C)N1CCC(CC1)Oc2ccc3c(c2)cc4n3C(CN(C4=O)CC5CC5)C	3459
+C1CC1CN2CCN(c3sc(c(n3)C)C(OCC)=O)C2=O	1794
+FC(F)(F)COc1c(Cl)cc(C(CC2CC2)C(OCC)=O)cc1Br	3611
+FC(F)(F)Oc1ccc(cc1)CC(C#N)(C#N)CC2CC2	3745
+FC(F)(F)c1cccc(F)c1C(=N)NOCC2CC2	6404
+C1CC1Cn2c3c(c(Nc4cc(ccc4)C(=O)OC)n2)CN(CC3)C(=O)C	338
+C1CC1COc2c(ccc(C(OC)=O)c2)C=O	8
+C1CC1COc2c(OCOC)cccc2Br	8
+C1CC1COc2ccccc2[N+]([O-])=O	8
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(OC)c(S(=O)(=O)CC3CC3)c2	3398
+C1CC1CN2C(c3ccc(cc3C=C2)Br)=O	6405
+C1CC1CN2C(Cc3c[nH]c4c3cc(Br)cc4)CCC2	28
+C1CC1COc2c(cc(cc2)C(C)=O)Br	8
+C1CC1COc2ccc3c(c2)cc(c(Cl)n3)C=O	8
+C1CC(CCN1CC2CC2)Oc3ccc(cc3)-n4cc(C(N5CCCC5)=O)cn4	28
+C1CC1COc2ccc(cc2)C(CN3C(=O)c4c(N(Cc5ccc(cc5)-c6c(C#N)cccc6)C3=O)sc(c4)CC)=O	8
+c1cc(ccc1OCC2CC2)I	8
+C1CC1Cn2nc(c(Cc3ccc(cc3)OC(C)C)c2C)OC4OC(C(C(O)C4O)O)CO	338
+c1ccccc1CN(Cc2ccccc2)CC(CN3CCN(CC3)CC4CC4)OC	2587
+c1ccccc1CN(Cc2ccccc2)CC(CN3CCN(CC3)CC4CC4)OC	28
+C1CC1CN2C=Cc3nc(SC)ncc3C2=O	6406
+C1CC1CC(NNc2nccc(I)c2Cl)=O	1296
+C1CC1CC(NNc2c(c(OCc3ccccc3)ccn2)C#N)=O	1296
+C1CC1CC(C#N)c2ccc(C(=O)C)nc2	1867
+C1CC1CC(C#N)c2cnc(cc2)C(C)(C)O	6407
+FC(F)(F)COc1cc(ncc1C2CC2)C(NC(CC3CC3)(C)C#N)=O	81
+c1ccccc1COC(=O)NC(C)(C#N)CC2CC2	101
+FC(F)(F)COc1cc(ncc1Cl)C(=O)NC(C)(c2nc(on2)C)CC3CC3	81
+C1CC1CC(CC2CC2)n3cc(-c4n5c(ncc5)cc(n4)-c6cnn(C)c6)cn3	2010
+C1CC1CC(c2nc(on2)C)(NC(=O)OCc3ccccc3)C	6408
+C1CC2(CCN1c3cnn4c(c3Cl)nnc4CC5CC5)C=Cc6ccccc26	6409
+C1CC1CC(NNc2c(Cl)c(N3CCC4(CC3)C=Cc5ccccc45)cnn2)=O	355
+C1CN(CCN1C(CC2CC2)=O)S(=O)(=O)c3cccc4ccccc34	10
+C1CC1CC(C)(c2nc(on2)C)N	102
+C1CC1CCN2c3ccccc3C(=O)C2=O	3200
+c1cc(ccc1C(C)C)NC(C2CCN(CC2)C(CCC3CC3)=O)=O	10
+C1CC1CCCCCCCCC(=O)OCC=Cc2ccc(cc2)C	2580
+C1CC1CCCCCCCCC(=O)Cl	130
+FC(F)(F)c1ccc(cc1C(N2CCN(CC2)c3ccc4nc(C(=O)NCCCC5CC5)cn4n3)=O)F	2588
+C1CC1CCNc2nc(c3c(n(cn3)C4OCCCC4)n2)N	96
+C1CC1CCNCc2ccc(c(c2)F)Oc3cc4c(cc3)C(OC(C)(C)O4)=O	42
+c1cc(ccc1C#N)C2C(=O)N(c3ncc(C(NCCC4CC4)=O)cc3)N=C2	56
+C1CC1CCNC(c2ccc(nn2)Cl)=O	81
+C1CC1CCN2c3ccccc3C(c4cc5c(cc4O)OCO5)C2=O	462
+C1CC1CCN2C(C(c3cc4OCOc4cc3O)(O)c5c2cccc5)=O	3746
+C1CN(CCN1)c2nnc(cc2)C(NCCC3CC3)=O	212
+c1cc(ccc1F)C(=O)C2CCN(CC2)c3nnc(C(NCCC4CC4)=O)cc3	212
+CC(C)(C)OC(N(CCC1CC1)Cc2ccc(c(F)c2)Oc3cc4c(cc3)C(OC(C)(C)O4)=O)=O	23
+C1CC1CCNc2nc3c(c(N)n2)nc(OC)n3C4CCCCO4	1010
+C1CC1CCOc2cc3c4c(ccc(Br)c4)ccc3cc2	20
+C1CC1CCOc2ccc(cc2)OC3C(=O)NCC3	20
+C1CC1CCOc2cc3c(cc2)ccc4ccc(cc34)CC(C)(C)O	2589
+C1CC1CN2CC(c3cccc(OC)c3)=CCC2	2480
+C1CC1COc2cc(F)c(c(c2)F)-c3c(C(=O)c4ccc(cc4Cl)F)c(nn3C)C	116
+CC(C)(C)OC(=O)NNc1cccc(C(=O)NCC2CC2)c1	14
+CC(C)(C)OC(NC(C)c1nc2c(c(C(NCC3CC3)=O)c1-c4ccccc4)cc(cc2)F)=O	14
+C1CC1CNc2c([N+]([O-])=O)cc(S(=O)(=O)C(C)C)cc2	205
+FC(F)(F)c1c(cnc(N)n1)CNCC2CC2	2590
+FC(F)(F)c1nc(ncc1C(=O)NCC2CC2)Nc3c(Cl)cc(cc3)Cl	484
+C1CC1CNc2ccnc(n2)N	40
+C1CC1CNS(=O)(=O)C	111
+c1cc(ccc1Cl)-c2ccc(nc2)C#Cc3cc4c(cc3)n(CCNCC5CC5)cc4	285
+O=S(=O)(c1ccccc1-c2cc(c(NC(=O)CNCC3CC3)cc2)F)C	1229
+C1CC1CN2C(Cc3c2ccc([N+]([O-])=O)c3)=O	1611
+C1CC1CNc2nc(C)nc(c2C)O	40
+C1CC1CNc2nccc3c2nc(nc3)Nc4ccc(cc4C)-c5cn(nc5)C	6410
+C1CC1CNc2cncc(Cl)n2	464
+C1CC1CN2C(c3c(cc(cc3)Br)C(C(OC)=O)=C2)=O	6411
+C1CC1CNCCN2C(=O)N3C(C)(C2=O)Cc4c([nH]c5ccc(OC)cc45)C3c6cc(ccc6)O	132
+c1cc(ccc1)Nc2ncc(c(n2)NCC3CC3)CC(C(OC)=O)c4ccc(cc4)OC	40
+c1cc(ccc1-c2cncc3ccc(C(=O)NCC4CC4)cc23)Cl	14
+c1cc(ccc1C(NCC2CC2)=O)-c3cc(ccc3C)-c4nnc(C)o4	93
+c1cc(ccc1COc2cccc(c2)CNCC3CC3)Cl	42
+c1cc(ccc1S(=O)(=O)Nc2c3c(nc(NC4c5c(CC4)cccc5)cc3)ccc2)NCC6CC6	60
+C1CC1CNc2c3ncn(C)c3nc(n2)Cl	516
+C1CC1CNc2nc(cnc2)-n3cnc4ccc(N)cc34	464
+C1CC1CN(C(N(N=O)CCCl)=O)C2OC(CO)C(C(O)C2O)O	2591
+C1CC1CN(c2nc(Cl)c(nc2)C=O)C	6412
+c1ccccc1CN2Cc3c(OCC2)nc(N(CC4CC4)C)cn3	799
+C1CC1CN(c2cnc(c(Cl)n2)CN(CCO)Cc3ccccc3)C	879
+C1CC1CN2C(CO)=C(OCCCC)c3cc(ccc3C2=O)Br	3747
+C1CC1CN2C(NC(=O)C=C2NN=Cc3ccnc4ccc(cc34)Cl)=O	3748
+c1cc(ccc1)C2Oc3ccccc3N(C(=O)C2NC(C(NC(=O)Cc4cc(F)cc(F)c4)C)=O)CC5CC5	207
+C1CC1CN2C(=O)N(c3nc(c(C(NCc4ccccc4)=O)s3)C)CC2	454
+C1(=O)c2ccccc2C(=O)N1CC=3N(C(=O)c4ccc(cc4C=3OCCCC)Br)CC5CC5	3749
+C1CC1CN2C(=O)c3c(C(CO)=C2)cc(-c4c(ccc(C(NC5CC5)=O)c4)C)cc3	6413
+C1CC1CN2C(=C(c3cc(Br)ccc3C2=O)OCCCC)C(O)=O	108
+C1CC1CN2c3ccccc3-c4ccccc4C(NC(=O)C(C)(F)C(O)=O)C2=O	3
+C1CC1CN2C(=O)c3c(C(OCCCC)=C2CCl)cc(cc3)Br	3750
+C1CC1CN2c3c(cc(cc3)N)CC2=O	0
+C1CC1CN2c3nn(Cc4c[nH]c5ccc(cc45)C)c(-c6cc(cn6C)C(=O)O)c3C(=O)N(C)C2=O	3751
+C1CC1CN2C(=CC(=O)NC2=O)NN	2592
+CC(C)N1CCCN(CC1)CC=2c3cc(-c4c(ccc(C(NC5CC5)=O)c4)C)ccc3C(N(CC6CC6)C=2)=O	85
+C1CC1CN2C=C(C(OC)=O)c3c(C2=O)ccc(c3)-c4cc(C(NC5CC5)=O)ccc4C	99
+C1CC1CN2C=C(c3cc(Br)ccc3C2=O)C=O	3752
+c1ccccc1COc2c3c4c(cc2)CC5N(CCC46C(C(O)CCC56O)O3)CC7CC7	22
+C1CC1CN2C(=O)c3ccc(cc3C(C(O)=O)=C2)-c4cc(C(NC5CC5)=O)ccc4C	127
+c1cc(ccc1N2CCN(CC2)C)Nc3nc4c(C(=O)N(C=C4Br)CC5CC5)cn3	1334
+C1CC1NC(=O)c2ccc(c(-c3ccc4c(C(=CN(C4=O)CC5CC5)C=O)c3)c2)C	99
+C1CC1NC(c2cc(F)c(c(-c3cc4c(cc3)C(=O)N(C=C4C=O)CC5CC5)c2)C)=O	99
+C1CC1CN2CC(CC2)COS(=O)(=O)C	710
+C1CC1CN2C3Cc4c5C6(CC2)C3(CCC(O)C6Oc5c(cc4)O)O	100
+n1cc(cnc1C(=O)N2CCN(CC2)CC3CC3)B(O)O	6414
+C1CC1CN2C(=O)N(CC2)c3sc(c(n3)C)C(O)=O	6
+c1cc(ccc1-c2nc(N3CCOCC3C)c4c(CN(C4)CC5CC5)n2)NC(NCCC)=O	261
+CC(C)(C)OC(NCC(CNc1cc2c(cc1)N(CC3CC3)C(=O)C2)O)=O	843
+C1CC1CN2C(C(c3c(cccc3)-c4ccccc24)NC(C(C(=O)OCC)(F)C)=O)=O	6415
+FC(F)(F)C(F)(F)CCNC(C(C)(F)C(NC1C(N(c2c(-c3c1cccc3)cccc2)CC4CC4)=O)=O)=O	3543
+C1CC1CN2c3nn(c(-c4n(C)cc(c4)C(NC)=O)c3C(=O)N(C)C2=O)Cc5c[nH]c6ccc(cc56)C	56
+c1cc(ccc1-c2nc(NCC3CC3)sc2)Br	354
+c1cc(ccc1NC(NCC2CC2)=O)C(O)=O	6
+C1CC1CN(CC)Cc2nnc3CN=C(c4c(ccc(c4)F)-n23)c5ccccc5F	894
+C1CC1CN(CC2CC2)c3c(C#N)cc4nc(C)n(C)c4n3	43
+C1CC1CN(CCC)C(c2n(C)nc3c(cccc23)-c4ccc(cc4Cl)Cl)=O	3753
+C1CC1CN(c2ccnc(Cl)n2)S(=O)(=O)C	6416
+CC(C)(C)c1c(N2CCN(CC2)C(CCC(NS(=O)(=O)NCC3CC3)=O)=O)cccc1	344
+CC(C)S(=O)(=O)c1ccc(NCC2CC2)c(c1)N	0
+C1CC1CNc2nc(nc3n(cnc23)C)NC(CO)CC	96
+C1CC1CNc2c(cnc(N)n2)I	1154
+C1CC1CN(C)c2cncc(Cl)n2	6417
+CC(C)(C)c1cc(c(S(C)=O)cc1)NC(=O)c2cc(-n3nnc(-c4cnc(NCC5CC5)cc4)c3)c(cc2)C	67
+C1CC1CNc2ncc(cc2)-c3nnn(c3)-c4c(C)ccc(C(=O)O)c4	3754
+C1CCC(C1)NS(=O)(=O)c2cc(cc3c2ccc(OCC4CC4)n3)-c5c(noc5C)C	1155
+FC1(F)CN(C1)c2ccc(nc2OCC3CC3)C(=O)OC	91
+FC1(F)CN(C1)c2c(OCC3CC3)nc(cn2)C(=O)O	1335
+C1CC1COc2nccc(c2)OC3CN(C3)c4ccc(cc4)C(NC(C)=O)C	430
+FC(F)(F)COCc1cc(COCC2CC2)nc(Cl)n1	2404
+C1(=O)CCC(=O)N1OC(OCC2CC2)=O	6418
+C1CC1COc2cc(Br)cc(Br)c2	20
+C1CC1COc2c(cc(cn2)C(O)=O)Br	91
+C1CC1COc2c(Cl)cc(Br)cn2	91
+C1CC1COc2c(C#N)cc(cc2)Br	57
+C1CC1COc2c([N+](=O)[O-])ccc(F)c2	57
+c1cc(ccc1-c2c(OCC3CC3)ncc(C(=O)O)c2)Cl	91
+C1CC1COC(=O)Oc2ccc(cc2)[N+]([O-])=O	405
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2n3ncc(cc3nc2)-c4cnn(C5(CN(C5)C(=O)OCC6CC6)CC#N)c4	1011
+C1CC1CONC(=O)C2=CN(C(=O)C=C2Nc3ccc(Br)cc3F)C	3527
+C1CC1CONC(c2c(Nc3c(C)cc(Br)cc3)c(c4ncn(CCCC(CO)O)c4c2)F)=O	3755
+C1CN(CCN1C)CCCCn2cnc3c(c(c(C(NOCC4CC4)=O)cc23)Nc5c(C)cc(cc5)Br)F	61
+C1CC1CONC(c2c(Nc3c(C)cc(Br)cc3)c(c4c(n(cn4)CCCC=O)c2)F)=O	1156
+C1CCN(C1)c2ccc(C(=O)O)nc2OCC3CC3	244
+C(C)C(CC)(NC(=O)c1ccc(Br)c(OCC2CC2)n1)C(=O)OCC	1008
+C1CC1c2ccc(nc2OCC3CC3)C(O)=O	940
+CC1(C)OB(OC1(C)C)c2cc(c(OCC3CC3)cc2)C#N	17
+C1CC1COc2ccc(S(=O)(=O)CC)cc2C3=CN(C(C(=C3)OC(F)F)=O)C	6419
+FC(F)(F)COC=1C(=O)N(C=C(c2c(OCC3CC3)ccc(S(=O)(=O)CC)c2)C=1)C	6420
+C1CC1COc2c(cc(C(=O)OC)cn2)Cl	6421
+C1CC1COc2c(nc(cc2)C(NC3(COC3)CC(N)=O)=O)Cl	81
+C1CC1COc2c(cccc2I)OCOC	3756
+C1CC1COc2cc(C3(CCCC3)C(OCC)=O)ccc2N	0
+C1CC1COc2cc(ccc2[N+](=O)[O-])CC(OCC)=O	976
+C1CC1COc2c(Cl)cc(cn2)C(=O)O	1
+CC1(C)C(C)(C)OB(O1)c2cc(C(C)=O)ccc2OCC3CC3	17
+C1CC1COc2ncc(cc2Br)C(NC3C(O)CCCC3)=O	56
+C1CC1COc2cc(ccc2C=O)C(O)=O	1
+C[Si](C)(C)CCOCn1c(c(C(=O)OCC)c2c1c(ncn2)-c3c(OCC4CC4)cc(cc3)F)C	6422
+C1CC1COc2c(I)cccc2O	241
+C1CC1COc2cc(cc(Br)c2)Sc3cc(c(cc3)OCC(=O)OCC)C	1336
+C1CC1COc2cc(ncc2)CS(c3nc4c(cc(F)cc4)[nH]3)=O	172
+C1CC1COc2cc(Sc3ccc(OCC(=O)O)c(C)c3)cc(C#CCN4CCOCC4)c2	3
+C1CC1COc2cc(Sc3ccc(OCC(=O)OCC)c(C)c3)cc(C#CCN4CCOCC4)c2	197
+C1CC1COc2c(C=NOC)ccc(c2)C(O)=O	135
+C1CC1COc2cc(ccc2[N+](=O)[O-])CC(OCC)=O	27
+C1CC1COc2cc(ccc2[N+](=O)[O-])CC(O)=O	3
+C1CC1COc2cc3c(nc(c(CO)c3)NCCNC(C)=O)cc2	269
+C1CC1COc2c(C#N)cc(-c3ccnc(Nc4cn[nH]c4)c3)cc2	6423
+c1cc(ccc1S(=O)(=O)Cl)OCC2CC2	895
+C1CC(CCC1OCC(C)O)c2cc3ccc(OCC4CC4)cc3o2	100
+C1CC(CCC1c2cc3ccc(OCC4CC4)cc3o2)OCC(C)N=[N+]=[N-]	298
+C1CC1COc2ccccc2NS(=O)(=O)C	80
+O=S(=O)(C)Nc1c(OCC2CC2)cc(cc1)[N+]([O-])=O	31
+C1CC1COc2ccccc2N	0
+C1CC1COc2cc(CSc3nc4c(cc(F)cc4)[nH]3)ncc2	602
+C1CC1COc2ccc(cn2)OC3C(N(c4cc(F)c5CCC(O)c5c4F)CC3)=O	654
+c1cc(ccc1-c2c(ncc(C(=O)NC3CCCCC3O)c2)OCC4CC4)C#N	89
+C1CC1Cc2c(-c3nc(ncc3)S(C)=O)cnc(N)n2	172
+C1CC1Cc2c(OCCCOc3c(CCC)c4c(cc3)CCC(CCC(=O)OCC)O4)ccc(C(=O)NC)c2OC	297
+C1CC1Cc2c(O)c(ccc2O)C(=O)NC	513
+C1CC1Cn2c3c(nc2Cc4ccc(cn4)OCC)cc(C#N)cc3	788
+CC(C)(C)OC(=O)NC1C(CCN(C1)C(c2cc(c3c(c2)nc(-c4cc5cccnc5n4CC6CC6)n3C)OC)=O)O	30
+C1CC1Cn2c(cc3cccnc23)-c4nc5c(c(cc(C(=O)O)c5)OC)n4C	1
+C1CCN(C1)C(c2ccc3c(nc(n3CC4CC4)Cc5ccc(cn5)OCC)c2)=O	30
+C1CC1Cn2c3c(c(Nc4cc(C(O)=O)ccc4)n2)CN(CC3)C(=O)C	1
+CC(C)(C)OC(NC1CN(C(=O)c2cc(c3c(c2)nc(-c4cc5cccnc5n4CC6CC6)n3C)OC)CCC1)=O	2594
+CC(C)(C)OC(NC1CN(CCC1)C(=O)c2ccc3c(c2)nc(-c4cc5c(nccc5)n4CC6CC6)n3C)=O	2594
+C1CC1Cn2c(cc3cccnc23)-c4nc5cc(C(OC)=O)cc(c5n4C)OC	2594
+C1CC1Cn2c(nc3cc(ccc23)C(O)=O)Cc4ccc(cn4)OCC	872
+C1CC1Cn2nc(OC3C(O)C(O)C(C(O3)COC(OCC)=O)O)c(Cc4ccc(cc4)OC(C)C)c2C	405
+C1CCC(C1)Nc2cc(Cl)cc3c(c(-c4ccc(cc4)OC)nn23)-c5ccnc(NC6CC6)n5	306
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(s4)-c5cn(CCN6CCCC6)nn5)ncc3	1337
+C1CC1NC2CCN(CC2)c3ncc(C)nc3	87
+C1CC1NC2CCN(CC2)c3ncc(nc3)CC	87
+C1CN(CCC1NC2CC2)c3onc(n3)C(C)C	87
+C1CN(CCN1C)c2c(c(NC3CC3)c([N+]([O-])=O)c(c2F)Cl)C	60
+C1CN(CCN1C)c2c(cc(c(c2CC)NC3CC3)[N+]([O-])=O)F	60
+C1CC1NC(=O)c2cnc(N3CCN(CC3)Cc4cc5NC(=O)C6CCCN6c5nc4)cc2	56
+C1CN(CCO1)c2c3ncc(cc3nc(Cl)n2)-c4ccc(cc4)C(NC5CC5)=O	14
+CC(C)(C)NS(=O)(=O)c1cc(S(=O)(=O)NC2CC2)ccc1	71
+CC(C)(C)OC(CNC1CC1)=O	1459
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(Oc4ccc(cc4F)NC(NC5CC5)=O)c3s2)cc1)CCOC	675
+CC(C)(C)OC(=O)N1C(CCCC1)CCOc2c3c(cc(c(NC(NC4CC4)=O)c3)Cl)nc(O)c2-c5cc(C)cc(C)c5	675
+CC(C)(C)OC(=O)N1CCC(CC1)CCOc2c(cc3c(c2)nccc3Oc4ccc(c(Cl)c4)NC(NC5CC5)=O)C#N	1337
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cc3c(c(Oc4ccc(c(F)c4)NC(NC5CC5)=O)ccn3)cc2C#N	238
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)C(C)C(NC3CC3)=O	9
+CC(C)(C)OC(=O)CC(CCCC1CCCCC1)c2onc(n2)CNC3CC3	6424
+CC(C)(C)OC(N(C)C1c2c(C(c3ccc(c(Cl)c3)Cl)CC1)ccc(C(=O)NC4CC4)c2)=O	14
+CC(C)(C)OC(N1CC(F)(C(Cc2ccccc2)C1)CNC3CC3)=O	110
+CC(C)(C)OC(N1Cc2c(CC1)nc(nc2)NC3CC3)=O	435
+CC(C)(C)OC(=O)NC1CCN(c2ccc(C(OCC)=O)c(NC3CC3)c2F)C1	60
+CC(C)(C)[Si](C)(C)OCc1cc(c2c(cccn2)c1)CNC3CC3	249
+CC(C)(C)c1nc(NC2CC2)c3cc(I)ccc3n1	40
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)NC3CC3)ccc2C	2595
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(=O)NC3CC3	14
+CCN(CC)CC(O)COc1cc2nccc(Oc3ccc(c(Cl)c3)NC(NC4CC4)=O)c2cc1C#N	1337
+C1CC1NC=C(C(c2c(cc(F)c(c2C)F)F)=O)C(OCC)=O	2018
+C1CC1NC=C(C(=O)c2c(cc(c(c2)F)C=3CCN(CC=3)C(C)=O)F)C(=O)OCC	2018
+C1CC1NCC(=O)OCC	1459
+C1CC1NC=C(C(OCC)=O)C(c2c(c(c(F)c(F)c2)C#N)F)=O	6425
+C[Si](C)(C)CCOC(=O)c1cccc(S(=O)(=O)NC2CC2)c1	71
+C1CC1NC(c2ncc(OCc3c(C)onc3-c4ccccn4)cc2)=O	81
+C1CC1NC(c2nnc(OCc3c(noc3C)-c4cccc(F)c4)cc2)=O	780
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ccc(CN6CCOCC6=O)cn5)s4)ncc3	675
+ClC(Cl)=C1C2CCC1c3c2cccc3CNC4CC4	42
+C1CC1NCc2c(Cl)cc(cc2)Cl	42
+Clc1nc(nc(Cl)n1)NC2CC2	387
+C1CC1NCc2nc(Cl)ncc2	1279
+FC(F)Oc1c(c(c(c(c1F)F)[N+](=O)[O-])C(=O)C(=CNC2CC2)C(=O)OCC)F	2018
+C1CC1NC(c2ccc(Cn3c(c(c(n3)C)-c4cc(c(C#N)cc4)Cl)C)cn2)=O	81
+C1CC1NC(=O)C=2C(=O)c3c(N(c4cccc(Br)c4)N=2)nccc3	6426
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5cn(cn5)CC(OCC)OCC)s4)ncc3	1337
+C1CC1NCc2cc(C=CCOC)c(c(Br)c2)C	42
+C1CC1NCc2c(Cl)ccc(c2)CCNC(C)=O	42
+O=S(=O)(c1cc(ccc1F)[N+]([O-])=O)NC2CC2	71
+C1CC1NS(=O)(=O)c2c(OC)ccc(Oc3c(cc(cc3Cl)CC4C(=O)NC(=O)S4)Cl)c2	71
+O=S(=O)(c1ccc(cc1)C)n2c3c(c(nc(n3)Cl)NC4CC4)c(c2)I	974
+C1CC1NC(c2cc([N+]([O-])=O)c([N+]([O-])=O)cc2Cl)=O	14
+C1CC1Nc2cc(c(cc2[N+](=O)[O-])F)F	60
+C1CC1Nc2c([N+](=O)[O-])cccc2	60
+C1CC1Nc2cc(nc3ccnn23)Cl	1005
+C1CC1Nc2c(F)c(N3CCN(CC3)C)c(c(F)c2[N+]([O-])=O)F	60
+C1CC1Nc2c([N+](=O)[O-])ccc(c2Br)F	60
+C1CC1NCc2ccc(cc2OC(CC=C)C)C	42
+c1(cccc(F)c1N2C(=O)C=Cc3c(nc(NCCCN(CC)CC)nc23)-c4cccc(C(=O)NC5CC5)c4C)F	14
+C1CC1Nc2c(cnc3n(ncc23)CC)C(OCC)=O	1594
+c1c(F)c(c(cc1)F)N2c3nc(NCCCN(CC)CC)nc(-c4cc(ccc4)C(=O)NC5CC5)c3C=CC2=O	14
+C1CC1Nc2cc(C#N)ccc2[N+]([O-])=O	60
+C1CC1NCCN2C(=O)C3(N(C2=O)C(c4cc(ccc4)O)c5[nH]c6ccc(OC)cc6c5C3)C	132
+C1CC1NC(c2cnn3ccc(nc23)N4C(c5cc(cc(OCCOC)c5)F)CCC4)=O	1339
+c1cc(ccc1)CC(NC(c2cccnc2-c3nc(sc3)-c4ccccc4)=O)C(O)C(NC5CC5)=O	9
+C1CC1NC(=O)Nc2cccc(c2)C(=O)c3c4c(ncnc4N)n(C5CCCC5)c3	238
+c1cc(ccc1)Oc2ccc(CNC(c3ccc(nc3N)NC4CC4)=O)s2	70
+c1cc(ccc1C(NC2CC2)=O)-c3oc(nn3)-c4c(noc4C)-c5ccccc5	6427
+c1cc(ccc1Br)CC(=O)NC2CC2	9
+c1cc(ccc1C(NC2CC2)=O)-c3nc(N)sc3	14
+c1cc(ccc1C(OCC)=O)-c2cc(-c3ccc4C(C)(C)CCC(C)(C)c4c3)c(cc2)OCCCNC5CC5	1918
+c1cc(ccc1CNC2CC2)C#C	42
+C1CC1Nc2c3cc(ccc3ncn2)-c4ccc(cc4)F	40
+c1cc(ccc1C(c2ccc(cc2)F)CCNC3CC3)F	110
+c1cc(ccc1)OC(NC2CC2)=O	101
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(CCN6C(CCC6)=O)cc5)s4)ncc3	1337
+C1CC1NC(Nc2c(Cl)cc(cc2)Oc3ccnc4cc(OCCOC)c(C(=O)OC)cc34)=O	238
+c1ccccc1S(=O)(=O)c2n[nH]c3c2cc(cc3)OCCNC4CC4	463
+C1CC1Nc2ncc(cc2)C#N	340
+C1CC1N2CCn3nc(cc3C2)[N+](=O)[O-]	6428
+C1CC1NC(=O)c2ccc(C)c(-c3cc4cnnc(C#N)c4cc3)c2	513
+C1CC1Nc2ncccc2C(Nc3c(nccc3C)OC)=O	70
+C1CC1N(C(=O)C)Cc2nc(ncc2)NC(C)c3cc4cc(ccc4nc3O)Cl	96
+C1CC1N(c2cc(ccc2)NC(c3cc(C(C)(C)C#N)ccc3)=O)c4nc5c(nc(s5)NC(C)=O)cn4	67
+C1CC1N(c2cccc(C#N)c2Cl)C(c3cc(N4C(=O)Nc5c(c(C(=O)OC)sc5)C4=O)c(s3)Cl)=O	160
+C1CC1N(c2cccc(C#N)c2Cl)C(c3cc(c(s3)Cl)N4C(Nc5c(c(sc5)C(=O)O)C4=O)=O)=O	1
+C1CC1N(c2cccc(C#N)c2Cl)C(c3cc(N4C(=O)Nc5c(c(sc5)C(=O)N)C4=O)c(s3)Cl)=O	6429
+C1CC1Nc2c3ncc(n3nc(Nc4cc(C#N)cc(C(CCO)C)c4Cl)n2)C#N	6430
+O=S(=O)(c1ccc(cc1)C)OC=2C=3C(N(C4CC4)C(=O)N(c5cccc([N+](=O)[O-])c5)C=3N(C)C(C=2)=O)=O	6431
+C1CC1N2C(=O)COC3(CCN(CC3)C(CC(N)=O)c4ccc(cc4)-c5ccc6cccnc6c5)C2	83
+C1CC1N2C(=O)COC3(CCN(CC3)C(CC(O)=O)c4ccc(cc4)-c5ccc6cccnc6c5)C2	4
+C1CC1N2C(=O)N(Cc3ccc(c(Br)c3)C(F)(F)P(O)(O)=O)C(c4ccc(cc4)S(=O)(=O)C)=C2	228
+C1CC1N2C(N(N)C(=O)c3c2cc(F)c(F)c3)=O	6432
+C1CC1N2C(C(Nc3c(-c4nnn(C)n4)c(ncn3)N)C)=Cc5c(c(Cl)ccc5)C2=O	2596
+CC(C)(C)OC(NC1CN(c2c(F)cc3c(N(C4CC4)C(=O)N(N)C3=O)c2)CC1)=O	34
+CC(C)(C)OC(=O)NC(C1CN(c2c(C)c3c(C(N(N)C(=O)N3C4CC4)=O)cc2F)CC1)c5occn5	37
+CC(C)(C)OC(NCc1cc2nc(n(CCC(C)C)c2cc1)CN3c4ccccc4C(=O)N(C5CC5)C3=O)=O	2597
+CC(C)CCn1c2ccc(C(=O)OC)cc2nc1CN3c4ccccc4C(=O)N(C5CC5)C3=O	2597
+C1CC1N2C(C(Nc3c(-c4nc(on4)C)c(ncn3)N)CC)=Nc5cccc(Cl)c5C2=O	40
+C1CC1N2C(c3c(Cl)cccc3N=C2C(C)Nc4c(-c5noc(n5)C)c(ncn4)N)=O	40
+C1CC1N2C=C(C(c3cc(c(N4CCNC(C4)c5ccco5)cc23)F)=O)C(=O)O	202
+C1CC1N2C=C(C(c3c2cc(c(F)c3)N4CC(CCC4)(O)CNCC)=O)C(=O)O	34
+C1CC1N2c3c(c(N4CCNC(C4)C)c(F)c(N)c3C(C(C(O)=O)=C2)=O)OC(F)F	34
+CC(C)(C)OC(=O)N1CCN(c2c(c3N(C=C(C(c3cc2F)=O)C(O)=O)C4CC4)OC)CC1C	23
+C1CC1N2C=C(C(c3cc(F)c(N4CC(c5ccco5)N(C)CC4)cc23)=O)C(=O)O	113
+C1CC1N2c3c(C#N)c(c(cc3C(C(=C2)C(=O)OCC)=O)F)N4CC5NCCCC5C4	34
+FC(F)Oc1cc(ccc1[N+]([O-])=O)N2CCN(CC2)C3CC3	34
+C1CN(CCN1c2nnc(cc2)-c3cc(ccc3)[N+]([O-])=O)C4CC4	212
+C1CN(CCN1c2nc3c(ccc(C#N)c3)o2)C4CC4	2600
+C1CC1N2CCc3cc(ccc3CC2)N	0
+C1CC1N2CCc3c(CC2)ccc(Nc4nc(c(cn4)F)NC5CCCN(C(C=C)=O)C5)c3	55
+C1CC1N2CCn3c(C2)cc(NC4=CC(=CN(C4=O)C)Br)n3	523
+C1CC1N2CCn3nc(cc3C2)N	161
+C1CC1N2c3cc(c(F)c(C)c3C(=O)C(C(=O)O)=C2)F	108
+C1CC1N2C=C(C(c3c2c(c(F)c(F)c3C=C)F)=O)C(=O)O	108
+C1CC1N2C=C(C(c3c2c(c(c(F)c3N)F)OC(F)F)=O)C(O)=O	108
+C1CC1N2C(N(N)C(c3cc(c(N4CC(CC4)C(N)c5occn5)c(C)c23)F)=O)=O	34
+C1CC1N2c3cc(c(c(C)c3C(C(C(=O)O)=C2)=O)F)N4CC(NCC4)C	34
+CC(C)(C)OC(=O)N(C)C(Cc1ccccc1)CNC(=S)NC2CC2	1832
+C1CC1N2C(NC(=O)c3c2c(C)c(I)c(F)c3)=O	6433
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(s4)-c5cn(CC=O)cn5)ncc3	598
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ccc(cn5)CN(C(C)COC)C(=O)C)s4)ncc3	319
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(cc5)CN6CCN(CC6)C(CNC)=O)s4)ncc3	402
+C1CN(CCN1Cc2ccc(-c3sc4c(nccc4Oc5ccc(cc5F)NC(=O)NC6CC6)c3)nc2)CCF	123
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(CNC(COC)C)cc5)s4)ncc3	249
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncn(c5)CCN6CCN(CC6)C)s4)ncc3	61
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(s4)-c5ccc(C=O)cn5)ncc3	6434
+C1CC1NC(=O)c2c(cc(c(c2)N)N)Cl	0
+ClC(Cl)(Cl)c1[nH]c2cc(Cl)c(cc2n1)C(=O)NC3CC3	6435
+C1CN(CCN1C)CCOc2cc(ccc2)C(c3cnn(c3N)-c4cc(ccc4C)C(=O)NC5CC5)=O	28
+c1cc(ccc1OCCOc2cc(C(c3cnn(-c4c(ccc(C(NC5CC5)=O)c4)C)c3N)=O)ccc2)Cl	8
+O=S(=O)(c1nc2c(cn1)C=C(c3cc(C(=O)NC4CC4)ccc3C)C(=O)N2C)C	528
+CC(C)(C)C(NC(c1ccc(-c2cc(cc(c2C)F)C(NC3CC3)=O)nc1)=O)C	140
+CC(C)(C)OC(=O)n1ncc2cc(ccc12)-c3cc(C(NC4CC4)=O)cc(F)c3C	11
+C1CC1NC(=O)c2cc(c(c(c2)N3C=CNC(=NC(C)(C)c4c(SCCOCc5ccccc5)cccc4)C3=O)C)F	6436
+CC(C)(N=C1NC=CN(c2c(C)c(cc(C(=O)NC3CC3)c2)F)C1=O)c4c(SCCO)cccc4	118
+C1CC1NC(c2ccc(c(N3C(c4cc(ccc4N=C3)OCC5NCCC5)=O)c2)C)=O	6437
+CC1(C)C(=O)N(C)c2c(N(C1)C3CC(F)(F)CC3)nc(nc2)Nc4ccc(cc4OC)C(NC5CC5)=O	55
+C1CC1CN2C(c3c(C(CN4CCCNCC4)=C2)cc(-c5c(ccc(C(NC6CC6)=O)c5)C)cc3)=O	2601
+C1CC1NC(=O)c2nnn(c2CCCOS(=O)(=O)C)-c3ccc(cc3)C(=O)NCC	7
+c1cc(ccc1-n2nnc(c2CCCN3C(c4c(cccc4)C3=O)=O)C(=O)NC5CC5)C(=O)NCC	896
+C1CC1NC(c2sc3nc(c(c(C)c3c2N)Cl)OCC)=O	3761
+C1CC1NC(=O)c2nc3cccnc3n2-c4cc(F)c(cc4)Cl	6438
+C1CC(CCC1CN(c2ncc(cn2)Br)C)C(=O)N(CCN(C)C)C3CC3	6439
+C1CC1NC(C=2C(c3cccnc3N(c4cc(C#Cc5ccc[n+]([O-])c5)ccc4)N=2)=O)=O	103
+C1CC1NC(c2c(c3c(s2)nc(c(Cl)c3C)OC)N)=O	3763
+C1CC1Nc2nc(O)c(C#N)c(n2)-c3cccnc3	6440
+C1CC1NC(Nc2c(Cl)cc(Oc3ccnc4cc(c(C(O)=O)cc34)OCCOC)cc2)=O	1
+C1CC1NC(=O)c2sc3c(c(c(Cl)c(n3)O)C)c2N	104
+CC(C)(C)CNC(Cn1ncc2cc(ccc12)-c3cc(C(NC4CC4)=O)cc(F)c3C)=O	248
+c1cc(ccc1CNC(=O)Cn2c3c(cn2)cc(-c4c(c(cc(C(NC5CC5)=O)c4)F)C)cc3)C(NC)=O	248
+C1CN(CCN1CCO)CC=2c3c(C(=O)N(CC4CC4)C=2)ccc(-c5cc(C(NC6CC6)=O)cc(F)c5C)c3	2601
+CC(C)(C)OC(=O)N1C(C)CN(CC1)CC2=CN(CC3CC3)C(c4c2cc(cc4)-c5cc(C(NC6CC6)=O)cc(F)c5C)=O	2601
+CC(C)(C)[Si](C)(C)OCC(C)(C)CN1C(c2c(C(C=O)=C1)cc(-c3c(c(F)cc(C(NC4CC4)=O)c3)C)cc2)=O	19
+C1CC1NC(c2cc(N3C(C(NC=C3)=NC4(CC4)c5ccccc5OCC(O)CNCC)=O)c(C)cc2)=O	122
+C1CC1NC(c2cc(N3C(C(NC=C3)=NC4(CC4)c5c(OCC6OC6)cccc5)=O)c(C)cc2)=O	6441
+C1CC1NC(=O)c2c(Cl)cc([N+]([O-])=O)c(c2)N	0
+C1CC1NC(c2ccc(c(N3C=Nc4c(cc(OC)cc4)C3=O)c2)C)=O	6442
+CN(C)CCOc1ccc2N=CN(C(c2c1)=O)c3c(ccc(C(=O)NC4CC4)c3)C	72
+C1CC1NC(c2ccc(c(N3C(c4c(ccc(OCCN5CCCOCC5)c4)N=C3)=O)c2)C)=O	53
+C1CC1NC(c2ccc(c(N3C(c4cc(ccc4N=C3)OCC5N(C)CCC5)=O)c2)C)=O	113
+C1CC1NC(c2ccc(C)c(N3C(=O)c4cc(O)ccc4N=C3)c2)=O	5
+C1CN(CCN1c2ccc(cn2)Nc3ncc4scc(-c5cccc(C(NC6CC6)=O)c5)c4n3)CC	2602
+c1cc(ccc1-c2ocnc2)C(N(C3CCN(CC3)C(=O)OC4(CC4)C)C5CC5)=O	30
+C1CC1N(C2CCN(CC2)c3ncc(cn3)Cl)C(=O)c4ccc(cc4)-n5ncnc5C	30
+C1CC1N2C=C(C(c3cc(c(c(C#N)c23)F)F)=O)C(=O)OCC	2020
+C1CC1N2c3c(C(=O)C(=C2)C(OCC)=O)c(C)c(c(F)c3)F	2020
+CC(C)(C)OC(N(CC(OCC)=O)C1CC1)=O	663
+c1(C)cc(cc(C)c1S(=O)(=O)N(CCO)C2CC2)OC	92
+C1CC1N(Cc2c(Cl)cc(Cl)cc2)CC(=O)c3ccccc3	676
+CC(C)(C)OC(N(C1CC1)Cc2cc(C=CCOC)c(c(c2)Br)C)=O	23
+C1CC1N(Cc2nc(ncc2)Cl)C(=O)C	58
+c1(cc(cc(Cl)c1Oc2cc(S(=O)(=O)NC3CC3)c(cc2)O)CC4C(=O)NC(=O)S4)Cl	5
+C1CC1NS(=O)(=O)c2c(C)n(cc2)CC3CCCCC3	2603
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(S(=O)(=O)NC3CC3)c(C)n2CC4CCCCC4	1072
+C1CC1NS(=O)(=O)c2c(n(CC3CCCCC3)c(C(O)=O)c2)C	6
+CC(C)(C)OC(=O)NC(C)C(=O)Nc1ccc(F)c(Br)c1NC2CC2	33
+C1CC1Nc2c(N)ccc(F)c2Br	0
+C1CC1Nc2ccccc2N	0
+C1CC1n2c(nc3cc(F)c(cc23)F)-c4cc(C(C)(C)O)cnc4	6443
+C1CC1Nc2c(cc(F)c(F)c2)NC(=O)c3cc(cnc3)C(C)(C)O	246
+C1CC1Nc2c3c(n(CC)nc3)ncc2C=O	3765
+C1CC1Nc2c3cnn(CC)c3ncc2C(O)=O	6
+C1CC1Nc2c3c(ncc2C=NO)n(CC)nc3	506
+CC(C)(C)OC(=O)n1c2c(c(n1)C)ccc(Nc3nc4c(occ4)c(n3)NC5CC5)c2	744
+C1CC1Nc2c(cnc3n(CC)ncc23)C(=O)N(C)OC	1012
+FC(F)(F)c1cc(ccc1-n2cnc(c2)C)C(Nc3ccc(C)c(c3)NC(c4csc5c4ncnc5NC6CC6)=O)=O	67
+CC(C)(C)OC(Nc1ccc(C)c(NC(c2csc3c(ncnc23)NC4CC4)=O)c1)=O	6444
+C1CC1n2c3c(nc2-c4cccnc4)ccc(c3)C#N	3766
+C1CC1Nc2cc(C#N)ccc2N	0
+CC(C)(C)OC(N1CCN(CC1)c2cc(NC3CC3)n4ncc(c4n2)C=O)=O	790
+CC(C)(C)OC(N(C1CC1)c2n3c(c(C=O)cn3)nc(Cl)c2)=O	1157
+C1CC1Nc2cc(SC)nc3n2ncc3C=O	3767
+C1CC1Nc2cc(N=[N+]=[N-])nc3c(cnn23)C=O	6445
+C1CC1Nc2n3c(c(C=O)cn3)nc(c2)N	1341
+C1CC1Nc2cc(nc3c(cnn23)C=C4NC(=O)NC4=O)SC	2021
+C1CC1Nc2c(cc(c(F)c2)F)N	0
+C1CC1Nc2n3c(c(C=C4NC(=O)NC4=O)cn3)nc(NC(=O)OC)c2	2021
+C1CC1Nc2cc(Cl)nc3n2ncc3C=O	2022
+C1CC1N(CC)c2ncc(cc2)C(=O)OCC	3505
+C1CC1Nc2n3ncc(C=C4SC(=O)NC4=O)c3nc(-c5ccnc(F)c5)c2	3768
+C1CC1Nc2nc(c(c(-c3cccc([N+]([O-])=O)c3)n2)C#N)SCC(N)=O	3769
+C1CC1Nc2nc(c(c(-c3cnccc3)n2)C#N)Cl	64
+C1CC1Nc2nc3c(c(-c4cccc(c4)[N+]([O-])=O)n2)c(c(C(N)=O)s3)N	3770
+C1CC1Nc2nc(Cl)c(C#N)c(-c3cc(ccc3)[N+]([O-])=O)n2	64
+C1CC1Nc2nc3c(c(c(s3)C(N)=O)N)c(-c4cnccc4)n2	3771
+Nc1nc(nc(N)n1)NC2CC2	1342
+C1CC1Nc2ncc3CN(c4cc(-c5nccs5)c(Cl)cn4)CCc3n2	43
+C1CC1Nc2nc3sc(c(N)c3c(-c4cc(ccc4)N)n2)C(N)=O	0
+FC(F)(F)c1ccc(cc1)NC(=O)Nc2cc(ccc2)-c3nc(nc4c3c(N)c(C(N)=O)s4)NC5CC5	124
+O=S(=O)(c1cc2n(cc1)ncc2)N(C3CC3)c4ccc(C#N)cn4	2023
+C1CN(CCN1C)Cc2cc3[nH]c(-c4ccc(c(C#Cc5ccc(NC6CC6)nn5)c4)C)nc3cc2	129
+FC(F)(F)c1c(-n2cnc(c2)C)ccc(NC(c3cc(c(C)cc3)C#Cc4ccc(NC5CC5)nn4)=O)c1	129
+CC(C)(C)OC(Cc1cc(Cl)c(cc1)OC2CC2)=O	2024
+CC1(C)C(C)(C)OB(O1)c2ccc(c(OC3CC3)c2)OC(F)F	17
+c1cc(ccc1SC2CC2)[N+]([O-])=O	411
+CC(C)(C)OC(=O)N1CCC(CC1)(c2cc(nc(Cl)n2)N3CCOCC3C)S(=O)(=O)C4CC4	23
+c1cc(ccc1)CN2CCC(CC2)(c3cc(nc(Cl)n3)N4CCOCC4C)S(=O)(=O)C5CC5	3772
+CC(C)(C)OC(N1CCOCC1CNS(=O)(=O)C2CC2)=O	111
+CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCN(CC3)S(=O)(=O)C4CC4)cn2)c5ccccc15	112
+CC(C)(C)OC(NCC1CCN(CC1)CCNS(=O)(=O)C2CC2)=O	111
+CC1(C)OB(OC1(C)C)c2cnn(S(=O)(=O)C3CC3)c2	2604
+C[Si](C)(C)CCOCn1c2ncc3ncc(n3c2cc1)C4CC(CC4C)NS(=O)(=O)C5CC5	111
+O=S(=O)(Nc1c(ccc(c1)C(=O)OC)F)C2CC2	80
+C1CC1S(=O)(=O)NC(C(Oc2cc3cnn(c3cc2)-c4cnccc4)c5cnc(OC)cc5)C	111
+O=S(=O)(C1CC1)Nc2cc(C)nc3c2c(c(Br)s3)-c4cc(OC)ccc4	80
+C1CC1S(=O)(=O)N2CC=C(CC2)c3cncc4cc(oc34)C=O	990
+O=S(=O)(C1CC1)NC2=CN(C(=O)C=C2Nc3c(F)cc(I)cc3)C	6446
+O=S(=O)(C1CC1)NCc2ccc(c(C(=O)Nc3ccc(OC)c(c3)C(Nc4ccc(cc4)Br)=O)c2)Cl	111
+C1CC1S(=O)(=O)N2CC=C(CC2)c3c4c(cc(C=C5C(=O)NC(=O)S5)o4)cnc3	2025
+CC(C)(C)OC(NC(C(C)CC(CCC=C)C)C(N1C(CC(O)C1)C(=O)NC2(C(C2)C=C)C(=O)NS(=O)(=O)C3CC3)=O)=O	207
+C1CC1S(=O)(=O)NC(C2(CC2C=C)NC(=O)C3C(C(N(CCCCC=C)C)=O)CC(Oc4ccnc(Cl)n4)C3)=O	145
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)C(=O)N(C)OC	164
+C1COCCC1CC(c2ccc(cc2)S(=O)(=O)C3CC3)C(CCC(c4ncc(C5OC(C)(C)OC5)s4)=O)=O	2605
+C1COCCC1CC(c2ccc(cc2)S(=O)(=O)C3CC3)C(=O)CCC(=O)c4ncc(C(C)(O)C(OC)OC)s4	2605
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)C(=O)C=C	1152
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)c4ccc([nH]4)-c5ncc(C(O)CO)s5	265
+C1CC1S(=O)(=O)Cc2cc(nc(n2)Cl)N3CCOCC3C	6447
+C1CC1Sc2c(Br)cc(C(C(=O)OCC)=CC3CCOCC3)cc2	6448
+C1CC1Sc2c(Br)cc(cc2)C(=O)C(=O)OCC	3773
+CC(C)(C)OC(=O)CCCCc1c(-c2ccc(cc2)F)nc3c(cc(C(C4CC4)=O)cc3)n1	3774
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cc2Cl)C(=O)C3CC3)=O	6449
+C1CC1C(=O)c2cccc(C)c2	3774
+c1cc(ccc1C(C2CC2)(O)C)Cl	6450
+C1CC1c2[nH]c(cn2)I	6451
+C1CC1c2n(-c3ccc(cc3)F)cc(n2)I	3775
+C1CC1c2ncn(C=3C=C4N(C(=O)CN=3)CCc5c(cccc45)-c6oncc6)c2	6452
+c1cc(ccc1C(C)Nc2c(cc([N+](=O)[O-])c(Nc3[nH]nc(C4CC4)c3)c2F)F)F	60
+C1CC1c2[nH]nc(Nc3nc(Cl)ncc3CO)c2	897
+CC(C)(C)[Si](C)(C)OCc1c(nc(Cl)nc1)Nc2n[nH]c(C3CC3)c2	19
+FC(F)Oc1c(c(nc2c(F)ccc(c12)OCC(=O)OC)CC)Cc3ccc(cc3)-n4nccc4C5CC5	1158
+CN(C)CCOc1cc(C2CC2)c(cc1)-c3cccc(N)n3	72
+C1CC1c2cc(OC)c(F)cc2-c3ncc4c([nH]nc4)c3	804
+C1CC1c2c(cncc2F)-c3cc4CCc5nnc(C)n5-c4c(F)c3	89
+C1CC1c2c(C#N)cc(Nc3nc(c(Cl)cn3)Cl)cc2	64
+C1CC1c2c(CO)c(F)ccc2	98
+C1CC1c2cc(C3=C(C4(CCN(CC4)OC)NC3=O)O)c(C)cc2C	997
+C1CC1c2c(C)n3c(ccc(c3)N4C=CC(OCc5ccc(F)cc5F)=CC4=O)n2	3776
+FC(F)(F)Oc1ccc(cc1CNC(Nc2n(-c3ccccc3)nc(C(=O)NC)c2C)=O)COC	3777
+FC(F)(F)Oc1c(CNC(=O)Nc2c(C)c(Oc3ccccc3)nn2-c4ccccc4)cc(COC)cc1	3777
+C1CC1c2cccc(c2CCl)F	229
+C1CC1c2c(COc3c(C)cc(cc3)-c4nn(c(C(=O)O)c4C)C)c(N5C(=O)N(N=N5)C)ccc2	6
+C1CC1c2c(COc3c(cc(-c4nn(C)c(c4C)C#N)cc3)C)c(N5C(=O)N(N=N5)C)ccc2	331
+C1CC1c2c(COc3c(C)cc(cc3)-c4c(c(C(=O)N)n(n4)C)C)c(N5C(=O)N(N=N5)C)ccc2	1612
+C1CC1c2cnc(C(=O)O)cc2Cl	6453
+C[Si](C)(C)CCOCN1C(=O)C(C)=C(c2c(cc(Oc3c(cccn3)C4CC4)cc2)C)N(C)C1=O	136
+C1CC1c2c(F)c(O)c(cc2Br)C=O	2606
+C1CC1c2c(c(c(O)c(C=O)c2)F)C3CC3	365
+C1CC1c2c(F)c(O)c(C=O)cc2	5
+C1CC1c2cc(C)c(cc2C#N)C(OC)=O	1013
+C1CC1c2ccncc2N3C(=O)N(c4ccnc(Cl)c4)CC3	6454
+C1CC1c2c(N3C(N(CC3)c4c(F)cc5ccsc5c4)=O)cncc2	6455
+C1CC1c2cnc(cc2Nc3c(cccc3)C(NOC)=O)Nc4cc(nn4CC)C	346
+C1CC1c2c(Nc3c(cccc3)C(NOC)=O)cc(nc2)Nc4n(C)nc(C)c4	346
+CC(C)(C)OC(c1cc(c(Oc2cc(c(C3CC3)nc2)OC(F)(F)C)cc1F)Cl)=O	551
+C1CN(CCC1(C)C)C(c2nc(c(C3CC3)cc2)OCC4OCCC4)=O	147
+c1cc(ccc1NC(=O)Nc2c(OCCC)c(C3CC3)cc(c2)Br)C4CC4	124
+C1CC1c2cc3c(cc2[N+](=O)[O-])nn(-c4ccc(cc4)Cl)c3C(=O)NC	81
+c1cc(ccc1N2CCN(CC2)C)Nc3ncc4C=C(C(=O)N(Cc5c(F)cccc5C6CC6)c4n3)Br	2607
+C1CC1c2c(c(F)ccc2)CN3C(=O)C(=Cc4cnc(nc34)S(=O)C)Br	172
+C1CC1c2c(cc(c(OC(C)C)c2F)C=O)C3CC3	313
+CC1(C)OC(C)(C)C2(OC2c3cc(-c4c(cc(cc4)Cl)Cl)ccc3C5CC5)C1=O	3778
+C1CC1c2c(cc(-c3c(Cl)cc(cc3)Cl)cc2)C=C4C(C(C)(C)OC4(C)C)=O	6456
+C1CC1c2c(CN)cc(COC)cc2	107
+C1CC1c2cc(c(C)cc2C)CC(O)=O	4
+C1CC1c2c(cc(c(F)c2)[N+]([O-])=O)-n3c(nnn3)C(C)C	3779
+FC(F)(F)S(=O)(=O)Oc1c(cc(c(c1)C2CC2)Cc3ccc(cc3)-n4cccn4)C(=O)OC	376
+CC1(C)OB(OC1(C)C)c2cc(c(O)cc2C3CC3)C(OC)=O	17
+C1CC1c2c(cc(COC)cc2)C#N	76
+C1CC1c2cnc(C#N)cc2OCC3CC3	942
+C1CC1c2cc3c(C(NC)=O)n(nc3cc2NS(=O)(=O)C)-c4ccc(C)cn4	80
+c1cc(ccc1)COC=2C=CN(c3ccc4n(c(C)c(C5CC5)n4)c3)C(=O)C=2	6457
+C1CC1c2cc(c(Cl)nc2Cl)C(N)=O	745
+c1cc(ccc1Nc2sc3c(cccc3)n2)Oc4ncccc4C5CC5	1605
+CC1(C)CC2(CC2)Oc3c(cc(C#Cc4cc(F)c(cc4)C(=O)OC)cc13)C5CC5	129
+C1CC1c2ccc(c3c(C(OC)=O)cn(Cc4ccc(-c5cnn(c5)C)cc4F)c23)F	962
+C1CC1c2c3ccccc3c(cc2)[N+](=O)[O-]	2026
+C1CC1c2c3c(n(n2)-c4ccc(cc4Cl)N)-c5sc(NC(C)=O)nc5CC3	0
+C1CC1c2c3c(n(n2)-c4c(cc(cc4)NC)Cl)-c5sc(NC(C)=O)nc5CC3	1159
+C1CC1c2ccc(c3ccccc23)N	0
+C1CC1c2cc(Br)c3nc(NC(OCC)=O)nn3c2	977
+C1CC1c2cc(c3nc(N)nn3c2)Br	982
+c1ccccc1-c2ccc(cc2)-c3c4c(cc(Nc5ncc(cc5C(=O)OC)C6CC6)c3)ccn4C	201
+c1cc(ccc1F)-c2c(C3CC3)cc(C=O)c(c2)OCC	39
+C1CC1c2cc(Cl)ccc2CCNC(=O)c3ccc(cc3)Oc4cc5c(cc4Cl)C(C(=O)O)CCO5	3
+CC1(C)C(C)(C)OB(O1)c2ccc(c(c2)C)C(Nc3cc(ccn3)C4CC4)=O	3780
+C1CC1c2cc(c3c(OCCN(c4cccc(Br)c4COC(=O)C)C3=O)c2)F	204
+C1CC1c2cc(Nc3c(F)cc(C#N)c(n3)Cl)n[nH]2	346
+C1CC1c2cc(Nc3nc(Cl)ncc3Cl)[nH]n2	349
+C1CC1c2n[nH]c(c2)Nc3c(F)c(I)c(c(Cl)n3)C#N	346
+C1CC1c2[nH]nc(Nc3c(F)c(F)c(F)cc3[N+](=O)[O-])c2	6458
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+C1CC1c2cc([nH]n2)Nc3c(Cl)cnc(NC(c4ccc(F)cn4)C)n3	96
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+FC(F)(F)c1ccc(cc1)-c2csc(CCCOc3cc(c(OCC(OC)=O)cc3C4CC4)C)n2	126
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+C1CC1c2cc(N)c(N)cc2	2609
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+C1CC1c2c(OCCC)c(N)cc(c2)Br	0
+c1cc(ccc1C#Cc2cc(c3OC(C)(C)CC(C)(C)c3c2)C4CC4)C(OCC)=O	129
+n1cc(cnc1-n2c3c(cc2)cc([N+]([O-])=O)cc3C4CC4)C	6459
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+OB(O)c1c2cc(C3CC3)[nH]c2ncc1	3224
+C1CC1c2cc3c(C(=O)NC)n(nc3cc2N)-c4ccc(cc4)Cl	0
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(Br)ccc2C3CC3	3781
+CC1(C)C(C)(C)OB(O1)c2c(C)c(cc(F)c2)NC(c3c(cc(C4CC4)cc3)F)=O	3782
+C1CC1c2c(cc(cc2)CO)C#N	41
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+C1CC1c2ccc(Nc3n4cncc4ccc3C(OC)=O)c(F)c2	3783
+C1CC1c2c(C#N)cc(cc2)Nc3ncc(c(n3)O)Cl	55
+C1CC1c2ccc(Nc3c(ccc4cncn34)C(NOCCO)=O)c(F)c2	1000
+C1CC1c2ccc(c(F)c2)Nc3c(C(O)=O)ccc4cncn34	1
+C1CC1c2c(I)cc(C(=O)OC)c(C)c2	184
+C1CC1c2cc(c(cc2)F)NC(c3cc4c(nc(Nc5c(cccc5Cl)Cl)[nH]4)c6c3OC(C)(C)C6)=O	67
+C1CC1c2c3c(c(F)cc2)c(cn3Cc4c(cc(-c5cnn(c5)C)cc4)F)C(=O)O	1
+C1CC1c2c3c(cccc3)c(N=C=S)cc2	333
+C1CC1c2ccc(cc2)CO	41
+c1cc(ccc1COc2c(OC)cc(I)cc2)C3CC3	657
+CC(C)(C)C(NC(c1ccc(c(OCC2CC2)n1)C3CC3)=O)CC(N)=O	81
+CC(C)(C)OC(=O)N1CCCC(C1)Nc2c(c(OC)nc(N3CCOCC3)n2)-c4sc5c(n4)cc(cc5)C6CC6	3784
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+C1CC1c2c(c(F)ccc2)CN3c4c(C=C(C3=O)Br)cnc(SC)n4	6462
+C1CC1c2nccc(N3CCN(c4cnccc4C5CC5)C3=O)c2	6463
+C1CC1c2cnc(C(=O)O)cc2OCC3CC3	876
+C1CC1c2c(cc(nc2)C(NO)=N)OCC3CC3	958
+CC(C)(C)c1nc(on1)-c2ncc(C3CC3)c(c2)Cl	6464
+FC(F)(F)C(C)Oc1cc(C(O)=O)ncc1C2CC2	260
+FC(F)(F)COc1cc(C(O)=O)ncc1C2CC2	260
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+CC(C)(C)C(O)CNC(=O)c1ncc(c(c1)OCC2CC2)C3CC3	81
+CC(C)(C)OC(=O)N1C(CC(Oc2ncc(C3CC3)nc2)C1)CN=[N+]=[N-]	1335
+C1CC1c2cnn(c2-c3csc(C(=O)O)c3)C	1
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(=O)c4scc(c4)-c5n(C)ncc5C6CC6	227
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+c1cnccc1Nc2nc(ncc2OC)-c3c(C)c(C4CC4)n[nH]3	1613
+C1CC1c2n(Cc3ccc(cc3)OC)nc(c2C)-c4ncc(c(N)n4)OC	6468
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+OB(O)c1cnc(NC(NCC)=O)cc1-c2nc(C3CC3)cs2	2028
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+CC(C)(C)OC(NCCn1c2nc(cc(c2cn1)C(OCC)=O)C3CC3)=O	6471
+C1CC1c2nc3ccc(cc3n2C)N4C(C=C(C=C4)Cl)=O	6472
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+CC(C)(C)OC(=O)c1c(cc(Oc2cnc(c(Cl)c2)C3CC3)c(c1)Cl)Cl	551
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+C1CC1c2sc(nn2)N3C(CCN(C3=O)C)OC(Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)=O	204
+C1CC1c2sc(nn2)NC(=O)N(CCC=O)C	1110
+c1cc(ccc1C(=O)N)-c2c3c(nccn3c(C4c5nnc(C6CC6)n5CCC4)n2)NCc7c(OC)cc(cc7)OC	169
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+C1CC1c2nc(-c3c(NC(C4=C(C(O)=O)CCCC4)=O)sc5c3CCCC5)sn2	3788
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+C1CC1c2nc(CC(=O)O)co2	3
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+C1CC1n2ccc3c(O)cc(cc23)C(OCC)=O	173
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+C1CC1n2c3c(c(cc(C(OCC)=O)c3)OCC)cc2	6474
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+C1CC1n2c3cc(C(=O)OCC)cc(c3cc2)OC	65
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+FC(F)(F)c1cc(sc1)COC=2C=CN(c3cc4c(nn(C5CC5)c4C)cc3)C(=O)C=2	6475
+C1CC1n2cc(cn2)-c3ccc4c(N(c5c6c(cccc6)n[nH]5)CC(N4C(C)=O)C)c3	804
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+CC1(C)C(C)(C)OB(O1)c2cnn(C3CC3)c2	2611
+C1CC2(CCC1O)CCC(CC2)=O	100
+C1CC(CCC12CCN(CC2)c3ccccc3C=CC(NO)=O)C(=O)N	793
+C1CC2(CCC1)CCC(CC2)Oc3ccc4c(ccc(c4)C5(C)NC(=O)OC5)c3	20
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+C1CC2(CCC1(CC2)NC(OCc3ccccc3)=O)C(=O)OC	3790
+C1CC2(CCC1(CC2)c3nc4c(C(=O)N(C(=O)N4CCC)CCC)[nH]3)C(=O)O	6476
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+C1CC2(CCC1(CC2)NCC(=O)N3CCCC3C#N)C(=O)OCC	1229
+C1CC2(CCC1(CC2)O)Nc3ncc(c(NC(C)C)n3)C(N)=O	306
+C1CC2(CCC1(CC2)C(=O)O)NC(OCc3ccccc3)=O	4
+C1CC2(CCC1(CC2)N)C(=O)OCC	102
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+C1CC2(CCC1(CC2)OC)NC(OCc3ccccc3)=O	3791
+C1CC2(CCC1(CC2)COS(=O)(=O)C)c3[nH]c4c(C(=O)N(CCC)C(N4CCC)=O)n3	7
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+C1CC2(CCC1(CC2)c3[nH]c4N(C(N(CCC)C(=O)c4n3)=O)CCC)C(OC)=O	27
+C1CC(CCC1(c2cncs2)O)=O	97
+CC(C)(C)OC(=O)NC(CO)(c1cc2ccc(cc2cc1)OC3CCC4(CCCCC4)CC3)C	37
+C1CC2(CCC1)CCC(CC2)Oc3cc4c(cc(cc4)C(CO)(N)C)cc3	886
+C1CC2(CCC1)N=C(c3ccc(cc3)OC)C(N2CC(Nc4cc(F)cc(F)c4)=O)=O	26
+FC(F)(F)c1ccccc1-c2cc3c(c(c2)Cl)[nH]c(C4=NOC5(CCCCC5)C4)n3	6479
+O1CCOC12CCC3(CC2)CN(CCCC)CC3	15
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+CC(C)(C)S(=O)N=C1c2cc(OCCCF)ccc2CC13CCC(CC3)OC	2552
+C1CC(CCC1c2c[nH]c3cc(F)ccc23)=O	97
+C1CC(CCC1c2cc(F)c(cc2)I)=O	97
+C1CC(CCC1c2cccc(F)c2)=O	97
+C1CC2(CCC1c3cc(F)c(cc3)I)OCCO2	184
+C1CC2(CCN1C(=O)N3CCC3)Cc4cc(cnc4NC2=O)Br	437
+C1C2(CC13Cc4cc(C=5CCN(S(=O)(=O)C)CC=5)ncc4O3)CCN(CC2)C#N	739
+CC(C)(C)OC(=O)C=Cc1c(cccc1)N2CCC3(CC2)CCC(CC3)C(=O)OC	79
+C1CN(CCC12CN(CC2)c3ccc(c(C)n3)S(=O)(=O)C)CC(O)c4ccc5C(OCc5c4C)=O	170
+C1CC2(CCN1Cc3n(CC)c4nc(Cl)nc(c4n3)N5CCOCC5)CCNC2=O	566
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+c1(C)nc(nc(C)c1)N2CCC3(CC2)CCCC(=O)N3Cc4cccc5n(S(=O)(=O)c6ccc(cc6)C)ccc45	117
+c1cc(ccc1S(=O)(=O)N2CCC3(CC2)OCC(=O)N(C4CC4)C3)Br	92
+C1CN(CCC12OCC(=O)N(C2)C3CC3)C(C)c4c(cc(cc4)Br)F	2030
+c1cc(ccc1Br)C(C)N2CCC3(CC2)OCC(=O)N(C3)C4CC4	2030
+c1ccccc1-c2cnc(cn2)NC(N3CCC4(CC3)c5cc(CC)ccc5C(O4)=O)=O	437
+CC(C)(C)OC(N1CCC2(CC1)COc3cc(ccc23)O)=O	23
+C1CC2(CCN1C(=O)c3cc(ccc3)NC(=O)NCCC(O)=O)CNC(=NC(c4nc(c(nc4N)N)Cl)=O)N2	3
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+C1CC1N2C(=O)COC3(CCN(CC3)C(c4ccc(cc4)-c5ccc6cccnc6c5)CC(=O)OC)C2	803
+C1CC2(CCN1)Cc3cc(F)ccc3C2=O	215
+C1CC2(CCN1C(C(OC)=O)c3ccc(-c4ccc5cccnc5c4)cc3F)CN(C6CC6)C(=O)CO2	803
+C1CN(CCC12CC(c3ccccc3O2)OC)C(c4ccccc4OC)=O	76
+C1CN(CCC12Oc3ccc([N+](=O)[O-])cc3C(=O)C2)C	77
+C1CC2(CCN1C)COc3cc4CCN(C(c5ccc(cc5)-c6ccc(N7CCCC7=O)cc6C(OC)=O)=O)c4cc23	610
+c1ccccc1CCOCCCN2CCC(CC2)=O	97
+C1CC2(CCN1CCCc3ccccc3)CC(c4cc(C=CC(O)=O)ccc4O2)=O	127
+CC(C)(C)OC(=O)CCOCCc1cccc(CCN2CCC3(CC2)CN(C(=O)c4nc(C(C)C)sc4)CCO3)c1	1615
+C1CN(CCC12CCN(CC2)Cc3ccccc3)C4CCC4	85
+c1cc(ccc1)CN2CCC3(CC2)Cc4cc(ccc4C3)O	5
+C1CC2(CCN1)CNC(=O)CO2	25
+C1CC2(CCN1)c3c(CO2)ccnc3	25
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+c1(ccnc(c1-c2nc3c(c(C)cc(c3)N4CCC5(CN(CC)CC5)C4)[nH]2)Cl)I	3792
+FC(F)(F)c1cc(S(=O)(=O)N2CC3(C(=O)NCC3)CCC2)cc(Br)c1	92
+FC(F)(F)c1ccnc(Nc2cc(cc(C)c2)-c3cnc(C4(CCC5(OCCO5)CC4)C#N)s3)n1	836
+c1cc(ccc1-n2c(-c3ccc(cc3)C)cc(n2)C4(CCC5(OCCO5)CC4)O)Cl	6481
+c1cc(ccc1)COCC2CCC(CC2)=O	97
+CC(C)Nc1cc(ncc1C(NC2CCC3(CC2)OCCO3)=O)Nc4cc5c(ncs5)cc4	56
+c1cc(ccc1)CN(C)C2CCC3(CC2)OCCO3	48
+C1CC(CCC1=O)Oc2ccc3OC(CCc3c2)c4ccccc4	97
+C1CC(CCC1c2cc(F)c(F)cc2)=O	97
+C1CC(CCC1=O)c2nc(ccc2F)C(OC)=O	97
+c1ccccc1COc2ccc3c(CCC45C(CN(C(=O)C)C4)CCC35)c2	139
+C1CC2C3(CN(C(=O)C)CC13)CCc4c2ccc(c4)O	5
+C12CC(CC(CC1)C23OCCO3)(C)O	736
+C1CC2CC(CC1N2C(c3c(Cl)cccc3)c4c(Cl)cccc4)(O)c5ncccn5	1109
+CC(C)(C)OC(N1CC2(CCN(CC2)C3CC4CCC(C3)N4C(OCC)=O)c5ccccc5C1)=O	85
+C1CC2CC(CC1N2)C(NCc3c(cccc3)F)=O	215
+C1CC2CC(CC1N2C(OCC)=O)C(=O)NCc3c(cccc3)F	9
+C1C2CCC(CC1N3CCC4(CC3)CN(Cc5ccccc45)c6cccc(OC)c6)N2C(OCC)=O	6482
+C1C2CCC(CC1=NO)N2Cc3ccccc3	350
+C1C2C(CCC(C1)C2)(NC(C)=O)C#N	206
+C1CC2N(CC1c3n4c(c(N)ncc4)c(Br)n3)CCC2	15
+C1CC2CCC(=O)N2CC1c3n4c(c(N)ncc4)c(Br)n3	522
+C1CC2CCC1CN(C2)c3nc(nc(NC(C)(C)CC(C)(C)C)n3)Cl	387
+C1CC2CCC1CN(C2)c3nc(Nc4ccc(cc4)F)nc(NC(C)(C)CC(C)(C)C)n3	360
+C1CC2CCC1CN(C2)c3nc(Cl)nc(n3)Cl	436
+O=S(=O)(c1ccc(F)cc1CC2C3CCN(CC3)C2)Cl	243
+CC(C)(C)OC(Nc1ccc(cc1[N+](=O)[O-])-c2nnc(cc2)OC3CN4CCC3CC4)=O	746
+C1CC2CCN1CC2Oc3ccc(nn3)-c4ccc5[nH]ccc5c4	519
+CN(C)Cc1c2cc(ccc2[nH]c1)-c3ccc(OC4CN5CCC4CC5)nn3	1015
+C1CC2CCN1CC2Oc3nnc(cc3)-c4ccc(c(N)c4)N	0
+C1CC2CCN1CCN2c3ncc(c(C(=O)OC)c3)[N+](=O)[O-]	43
+C1CC2CCN1CCN2c3ncc([N+](=O)[O-])c(C(=O)NCC(C)(C)CO)c3	14
+C1CC2CCN1CCN2c3ncc(c(C(=O)O)c3)[N+]([O-])=O	1
+C1CN2CCC1c3[nH]c4c(cccc4c3C2)-c5ccc(C)nc5	6483
+C1CC2CCOC(=O)N2CC1c3n4c(c(N)ncc4)c(Br)n3	522
+c1cc(ccc1)CN2CC3CCC(C2)C3N(C)CCCC(c4ccc(cc4)C#N)Oc5ccc(c(OC)c5)OC	123
+c1cc(ccc1Cl)N2CC3CCC(C2)N3CCCCN4C(=O)Nc5c(cccc5Cl)C4=O	6484
+CC(C)(C)OC(N1CCN(CC1)c2nc(N3CC4CCC(C3)O4)nc(Cl)n2)=O	436
+c1cc(ccc1-c2nc3C(C)(C)OCc3c(N4CC5CCC(C4)O5)n2)Br	54
+C1C2CCC(CN1c3nc(Cl)nc(N4CCC(CC4)=O)n3)O2	436
+CC(C)n1ncc2c(N3CC4CCC(C3)O4)nc(nc12)-c5ccc(cc5)[N+](=O)[O-]	1577
+c1c2c([nH]cc2CC(N3CC4CCC(C)C(O)(c5c(cccc5)OC)C4C3)=O)ccc1	10
+CC(C)(C)OC(=O)N1Cc2cc(c(Cl)cc2C1)N3C4COCC3CC4	560
+FC(F)(F)c1cc(Br)c2n(c(C(=O)N3C4CCC3COC4)cn2)c1	777
+C12COCC(CC1)N2c3nc(nc(Cl)c3)-c4ccc(cc4)[N+](=O)[O-]	54
+C12CCC(COC1)N2c3nc(nc(CCl)c3)Cl	54
+c1cc(ccc1N2CCN(CC2)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3)C(NCC)=O	1954
+C1CN(CCN1c2ncc(cc2)C(OCC)=O)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3	1954
+C1CN(CCN1c2c(Cl)cc(cc2)C(=O)NC3CC3)Cc4cc5c(N6C(CCCC6)C(=O)N5)nc4	1954
+c1(C(=O)O)cnc2N3C(CCCC3)C(=O)Nc2c1	1
+c1(cc2c(N3C(CCCC3)C(=O)N2)nc1)COC	382
+C1CC2C3(CN(C(=O)C)CC13)CCc4cc(OC)ccc24	319
+C1CC(n2nc(c3c2cccc3)Br)OCC1	2614
+Clc1cnc(NC2CC(C(=O)N)CCC2)nc1SC	96
+C1CCC(C(OC)=O)CC1N	27
+N#Cc1c(NC2C(CCCC2)C)c3cccn3nc1	719
+N#Cc1c(NC2C(CCCC2)C)c3cc(cn3nc1)[N+]([O-])=O	719
+c1(ccc(C(=O)OC)cc1[N+]([O-])=O)NC2C(CCCC2)C	60
+C1CCCCCCCC(CCC1)C(CO)C	1101
+c1cc(C(=O)OC)cc2c1n(C3C(C)CCCC3)c(Cc4cncs4)n2	1264
+c1c(CNc2nc(c(C)c(n2)C)NC3C(O)CCCC3)nccc1	3793
+CC(C)(C)OC(=O)NC1C(CCCC1)O	37
+CC(C)C(NC1CCCCC1O)=O	9
+C(OCC)(=O)NC1CCCCC1O	101
+O(CC)P(OCC)(CC(=O)NC1C(O)CCCC1)=O	9
+Nc1c2c(CCCN2C)c(cc1C(NC3CCCCC3O)=O)Br	14
+CC(C)S(=O)(=O)NC1CCCCC1O	6485
+C(O)CCCCOc1c(Br)cc(cn1)C(=O)NC2CCCCC2O	56
+c1c(ccc2c1sc(NC3C(O)CCCC3)n2)OC	2564
+c1cc(ccc1Cl)-c2c(OCC3CC3)ncc(C(=O)NC4CCCCC4O)c2	56
+c1cc(ccc1-c2c(ncc(C(=O)NC3CCCCC3O)c2)Cl)Cl	56
+c1c2c(sc(NC3C(O)CCCC3)n2)cc(Cn4cc(nc4)Br)c1	2032
+c1c2c(sc(NC3C(O)CCCC3)n2)cc(Cn4cnc5cccnc45)c1	2032
+C(C1CC(NC(C)=O)CCC1)(OC)=O	206
+c1cc(ccc1)C(c2ccccc2)=NC3CCCC(C3)C(=O)OC	6486
+c1cc(ccc1Cl)S(=O)(=O)NC2CCCC(C)C2	71
+C1CCCC1(CO)CN	6487
+C1CCCC1(C(O)=O)c2scc(c2Cl)C	1588
+C1CCCC1(c2cc(Cl)c(cc2)Cl)C(=O)C	3610
+c1cc(ccc1CC(NC(=S)C2(CCCC2)CCCCS(=O)(=O)C)C(=O)OC)[N+]([O-])=O	199
+C1CCCC1(CO)C#N	95
+C1CCCC1(CO)c2c3ccccc3ccc2	237
+CN(C)C(=O)C(Cc1ccc(cc1)-c2ccccc2)NC(=O)C3(CCCC3)CC(=C)Cl	207
+N1=NCC2(C1)CCCC2	6488
+c1cc(ccc1Oc2ccccc2)NC(=O)CNCC3(CCCC3)CN	1229
+C1CCC(C1)(N2CCCC2)C(c3ccccc3)N	6489
+C1CCC(C1)(Nc2c(F)cc(c(Cl)n2)C#N)C(=O)N	6490
+C1CCC(C1)(N)CC(OC)=O	167
+C1CCCC1(CC(=O)OC)NCc2ccc(cc2)F	42
+C1CCC(C1)(Nc2nc(Nc3cnc4c(cccc4)c3)c(C#N)cc2F)C(N)=O	1970
+C1CCC(C1)(Nc2c(F)cc(c(Nc3cc4ccccc4nc3)n2)C(N)=O)C(N)=O	745
+C1CCCC1c2ccc(cc2)C3(CC3)C(O)=O	564
+c1cc(ccc1S(C2(CCCC2)CC(=O)NO)=O)Oc3ccccc3	2033
+CC(C)(C)ONC(=O)CC1(CCCC1)Sc2ccc(cc2)Oc3ccccc3	6491
+C1CCC(C1)(C=O)c2cccc3c2cccc3	2013
+C1CCC(C1)(c2ccc(cc2)Nc3c4c(nc(C5CCCC5)n3)CCC4)C(OC)=O	73
+c1cc(ccc1C2(CCCC2)C(=O)O)Nc3c4c(nc(C5CCCC5)n3)CCC4	4
+C1CCCN1C2(CCCC2)C#N	735
+C1CCC(C1)NC(CC)C(=O)OC	3794
+C1CCC(C1)NCCC(=O)OCC	87
+C1CCCC1NCCNc2nc(C)nc3cc4n(c23)cccc4-c5c(C)cc(cc5C)C	87
+FC(F)(C(=O)OCC)CNC1CCCC1	87
+FC(F)(F)c1ccc(C(=O)NC2CCCCC2NC3CCCC3)c(C4CC4)c1	87
+FC(F)(F)c1cccc(C(O)C(c2cc(ncc2)F)NC3CCCC3)c1	87
+N1(C)CCc2ccc(c3c2n(c4CCCc34)CC1)F	6492
+C1CCC(C1)Nc2c(cc3c(ccnc3O)c2)C	231
+C1CCCC1(c2ccc(cc2)Cc3ccccc3OCc4ccccc4)O	251
+C1CN(CCN1C2CCCC2)c3ccc(cc3)I	85
+c1cc(ccc1C2=CCCC2)F	6493
+C1CCCC1Oc2ccc(c(c2)OCCN3CCCCC3)Br	521
+C1CCC(C1)N2CCC3(CC2)COC(c4ccc(cc4)OCCCN5CCCC5C)=N3	6494
+C1CCC(C1)Oc2c(Cl)cc(cc2Cl)C(OC)=O	521
+C1CCCC1Oc2c(ccc(C(=O)OC)c2)SC	521
+C1CCC(C1)C(c2cccc(F)c2)C(OC)=O	6495
+C1CCC(C1)Oc2c(OC)ccc(C=O)c2	521
+c1cc(ccc1-c2c3c(n(C4CCCC4)n2)c(F)ccc3)OC	6496
+C1CCC(C1)C(c2ccc(cc2)OCc3ccc4ccccc4n3)C#N	3795
+C1CCC(C1)Oc2c3c(c4c(cccc4)o3)ccc2	6497
+c1cc(ccc1Sc2ccccc2)OC3CCCC3	521
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(ncc2Cl)[nH]cc3NC(C4CCCC4)=O)C1	1610
+CC(C)(C)OC(C1(CC1)Cc2cc(NC(C(c3ccc(cc3)CN4C(=O)c5c(cccc5)C4)C6CCCC6)=O)ccc2)=O	33
+C1CCC(C1)c2n3NC(=NC(=O)c3c(n2)CC)c4cccc([N+](=O)[O-])c4	3796
+C1CCCC1(C(=O)OCC)Cc2ccccc2	1161
+C1CCC(C1)C(c2ccc(cc2)OCc3ccc4ccccc4n3)C(=O)N	3797
+C1CCCC1C(c2cc(F)ccc2)(C(OC)=O)C	2035
+C1C2(CN1c3ccc(cc3)-c4[nH]nc5ccc(C(=O)NC(C6CCCC6)c7ccccn7)cc45)COC2	1016
+C1CCCC1C2(CCN(CC2)c3ccc(cc3)C(=O)OCC)OC	34
+C1CCC(C1)C2CCc3cc(O)c(c(Cl)c3C2=O)Cl	5
+C1CCC(C1)C2C(=O)c3c(CC2)cc(c(Cl)c3Cl)OCc4[nH]nnn4	420
+C1CCC(C1)C2C(c3c(CC2)cc(OCC#N)c(Cl)c3Cl)=O	3798
+C1CCC(C1)C2N(c3nc(c(C#N)cc3)C)N=C(c4cc(c(CC(O)=O)cc4)OC)C2	6498
+C1CCC(C1)CC(C(OC)=O)c2cc(F)c(-n3c(nnn3)C)cc2	6499
+CC(C)Oc1cnc2[nH]c(cc2c1)C(CC3CCCC3)c4ccc(cc4)S(=O)(=O)C	6500
+C1CCCC1C2N(N=C3c4ccc(cc4CCC23)C(=O)OC)c5cc(Cl)c(C#N)cc5	6501
+C1CCC(C1)C=C2C(c3c(CC2)cc(cc3)C(=O)OC)=O	3799
+C1CCC(C1)Cc2n(c3ccc(S(=O)(=O)C(C)C)cc3n2)CC4CC4	849
+FC(F)(F)c1ccc(cc1)CNc2nc(c(c(N)n2)NC(CC3CCCC3)=O)C	1616
+C1CCC(C1)CC(c2c(-c3ccc4cc(ccc4c3)OC)oc5ccccc25)=O	2617
+c1c(C)c(c(cc1[N+](=O)[O-])C)NC(=O)CC2CCCC2	26
+c1ccccc1Nc2nn(-c3cc(ncc3)NC(=O)CC4CCCC4)cn2	195
+FC(F)(F)c1ccc(cc1)CNc2cc(C)c(c(C)c2)NC(CC3CCCC3)=O	208
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cnc3n(ccc23)S(=O)(=O)c4ccccc4)NC(CC5CCCC5)=O)=O	469
+C1CCCC1CC(C(=O)Nc2nn(cc2)CC(C)(C)O)N3C(C=C(C=N3)Oc4c(C)ccc(C)c4C)=O	142
+C1CCCC1CC(c2cc(C#N)c(cc2)S(=O)(=O)C)C(O)=O	4
+C1CCC(C1)CC(C(=O)OC)c2cc(c(S(=O)(=O)C)cc2)C#N	180
+C1CCCC1CC(C(=O)O)c2cc(F)c(-n3c(nnn3)C)cc2	4
+C1CCCC1CC(C(O)=O)c2cc(c(SC)cc2)Cl	4
+C1CCCC1CC(C(=O)NNc2nc(nc(N3CCN(CC3)C)c2F)CC)CN(O)C=O	2618
+C1CCC(C1)CCc2c(oc3c2cccc3)-c4cc5ccc(OC)cc5cc4	6502
+C1CCC(C1)CC(c2c(-c3ccc4c(ccc(OC)c4)c3)oc5ccccc25)O	6503
+C1CCCC1CC(c2cc(Cl)c(Cl)cc2)C(=O)N	6504
+c1cc(ccc1C(C(=O)O)CC2CCCC2)OCc3ccccc3	4
+C1CCCC1CC(C(=O)O)c2ccc(cc2)[N+]([O-])=O	3
+c1cc(ccc1CNc2ccc(CC)c(NC(CCC3CCCC3)=O)c2CC)F	208
+C1CCC(C1)CCC(Nc2c(CC)c(ccc2CC)N)=O	0
+FC(F)(F)c1ccc(cc1)NC2CCc3cc(c([N+](=O)[O-])cc23)NC(=O)CCC4CCCC4	3800
+CC(C)(C)[Si](C)(C)OCCNC1CCN(C1)c2nc3ccc(c(NC(=O)CCC4CCCC4)c3cc2)Cl	110
+C1CCC(C1)CCCCCCCCOc2ccc(cc2)-c3ncc(CCCCCCC)cc3	8
+C1CCC(C1)CCCN2C3CCc4c(cccc4C3CC2)O	5
+C1CCC(C1)CN2C(C(C(NCc3ccccc3)=O)=CC(c4ccc(cc4)OC)=N2)=O	6505
+C1CCC(C1)CN2N=C(C=C(C(OCC)=O)C2=O)c3ccc(cc3)OC	6506
+c1cc(ccc1)Oc2nccc3c2cc(c(N(C4CCCC4)C(=O)C)c3)C	136
+C1CN(CCC1)c2cnc(Nc3ncc4C=C(C(N(c4n3)C5CCCC5)=O)COCC)cc2	3608
+C1CCC(C1)N2C3=NC(c4cc(OCC(=O)O)ccc4)=NC(=O)C3=C(N2)CC	3
+CC(C)(C)C(C(=O)N1C2C(c3c4ccc(cc4[nH]c3)F)CN(C2CC1)C5CCCC5)NC(OC(C)(C)C)=O	10
+C1CCC(C1)N2C=3C(C(N=C(N=3)c4c(cccc4)OCC(=O)O)=O)=C(CC)N2	3
+C1CCC(C1)N2CC3(CCC3)C(N(C)c4cnc(nc24)Nc5c(cc(C(=O)O)cc5)F)=O	55
+C1CCC(C1)N2CC3(CCC3)C(N(C)c4cnc(nc24)Nc5ccc(C(NN6CCN(CC6)C)=O)cc5F)=O	898
+C1CCCC1N2N(C)C(=C(C2=O)Cl)C	6507
+FC(F)(F)S(=O)(=O)Oc1nn(c2ccnc(OC)c12)C3CCCC3	3801
+C1CCC(C1)N2C(=O)C(COCC)=Cc3c2nc(nc3)S(=O)C	3802
+C1CCC(C1)N2c3nc(ncc3N(C(=O)C(F)(C)C2)C)Nc4ccc(C(=O)NC5CCN(CC5)C)cc4OC	14
+C1CCCC1NC(Nc2ccc(cc2)-c3nn(CC)cc3-c4c5cc[nH]c5ncc4)=O	406
+C1CCC(C1)N(C)c2nc(ccn2)N3CCC(CC3)c4ccc(cc4)C(C)C(NCC)=O	117
+c1cc(ccc1S(=O)(=O)n2c3ncc(c(CNC(C(NC4CCCC4)=O)CC#N)c3c(C(=O)O)c2)Cl)C	3803
+C1CCCC1N(c2nc(ncc2[N+]([O-])=O)Cl)C(C(OC)=O)CC	2619
+C1CCC(C1)Nc2n3nc(-c4ccncc4)c(-c5nc(ncc5)NC6CCCC6)c3ccc2	2620
+C1CCCC1Nc2nccc(-c3c(-c4cc(Cl)ccc4)nn5cnccc35)n2	3804
+C1CCC(C1)Nc2nccc(-c3c4ccnc(SC)n4nc3-c5ccc(cc5)F)n2	3805
+C1CCC(C1)Nc2nc(-c3c(-c4cc(ccc4)C)nn5c(cccc35)Cl)ccn2	6508
+C1CCCC1Nc2nc(-c3c4cccc(n4nc3-c5occc5)Cl)ccn2	3804
+C1CCCC1NCC(C(=O)OCC)CCC	1917
+c1cc(ccc1CNC2CCCC2)N3C=C(C(c4cc(c(N5CCN(CC5)c6ccccn6)c(Cl)c34)F)=O)C(O)=O	108
+C1CCCC1n2nccc2-c3ccc(Br)cc3[N+]([O-])=O	2008
+C1CCC(C1)NNC(c2c(ccnc2OC)I)=O	1325
+C1CCC(C1)N2NC(c3c(nccc23)OC)=O	3714
+C1CCC(C1)NS(=O)(=O)c2c3ccc(nc3cc(-c4c(noc4C)C)c2)Cl	6509
+C1CCC(C1)N(c2cc3ccnc(c3cc2C)Cl)C(=O)C	192
+C1CCC(C1)Nc2c(cc3c(ccnc3Cl)c2)C	137
+C1CCC(C1)Nc2cc(cc3c(-c4ccnc(S(=O)C)n4)c(nn23)-c5ccc(cc5)OC)Cl	172
+C1CCC(C1)Nc2cc(ccn2)-c3c4cccc(n4nc3-c5csc(C)n5)Cl	2621
+C1CCCC1Nc2cc(ccn2)-c3c4cccc(NC5CCCC5)n4nc3-c6csc(C)n6	1162
+C1CCC(C1)Nc2cccc3n2nc(-c4ccc(cc4)F)c3-c5cc(F)ncc5	6510
+C1CCC(C1)Nc2n3c(c(c(-c4ccncc4)n3)C(=O)C=CN(C)C)ccc2	277
+C1CCC(C1)Nc2cccc3c(c(-c4ccc(cc4)F)nn23)-c5cc(ncc5)NC6CCCC6	182
+C1CCC(C1)Nc2cccc3c(-c4ccnc(NN)c4)c(nn23)-c5ccc(cc5)F	1606
+C1CCC(C1)Nc2cccc3n2nc(c3-c4ccnc(NC5CCCC5)n4)-c6cccc(C)c6	1162
+Clc1cccc(Cl)c1C(NC(C(=O)OC)Cc2ccc(cc2)OCCc3nc(ccc3)NC4CCCC4)=O	20
+C1CCC(C1)Nc2nc(CCO)ccc2	168
+C1CCC(C1)Nc2nccc3n2nc(-c4cc(Cl)ccc4)c3-c5nc(NC6CCCC6)ncc5	3806
+C1CCC(C1)N2c3c(cnc(SC)n3)C=C(COCC)C2=O	6511
+C1CCCC1Nc2nccc(n2)-c3c4cccc(Cl)n4nc3Cc5ccccc5	2621
+CC(C)(C)Nc1nccc2c(-c3ccnc(NC4CCCC4)n3)c(nn12)-c5ccc(cc5)F	3806
+CC(C)(C)OC(=O)N(CCN1c2c(cc(c(OC3CCCC3)c2)C)N=C4C(N=C(N=C14)O)=O)Cc5ccccc5	556
+CC(C)(C)[Si](C)(C)OCCC(NC(=O)OC(C)(C)C)C(=O)OC1CCCC1	6512
+C1CCC(C1)OC(=O)OC(Cl)C	405
+C1CCC(C1)Oc2c(C(N3CCN(CC3)c4ccc(S(=O)(=O)C)cc4F)=O)c(F)c(cc2)S(=O)(=O)C	57
+C1CCC(C1)Oc2c(C(O)=O)cc(cc2)S(=O)(=O)C	556
+C1CCCC1Oc2c(OC)cc(CC(OC)=O)cc2	419
+c1cc(ccc1C(N2CC(=NOC)CC2C(=O)OC3CCCC3)=O)-c4ccccc4C	27
+C1CCC(C1)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	1117
+C1CCC(C1)OC(=O)OC(I)C	6513
+FC(F)(F)COc1ccnc(c1C)CSc2n(c3ccccc3n2)C(C)OC(=O)OC4CCCC4	6514
+c1cc(ccc1OCC(CNCCNC(=O)Nc2c(cccc2)O)O)OCCOC3CCCC3	122
+FC(F)(F)c1nc(sc1)N2CCN(CC2)C(c3c(ccc(S(=O)(=O)C)c3)OC4CCCC4)=O	30
+c1cc(ccc1C(=O)OC)NC(=O)c2cc(Cl)c(c(c2)Cl)OC3CCCC3	67
+C1CCC(C1)Oc2c(Cl)cc(cc2Cl)C(=O)O	1
+C1CCCC1Oc2cc3c(C(N(C=C3C=O)C(=O)OCC)Cc4cccc(OC)c4)cc2OC	3752
+C1CCC(C1)Oc2cc3c(C=O)cnc(C(=O)c4cccc(OC)c4)c3cc2OC	3807
+C1CCC(C1)Oc2cc(ccc2OC)C=NO	135
+C1CCCC1Oc2c(cc(c(c2)N3C(=O)C4=C(CCCC4)C3=O)F)Cl	2380
+c1cc(ccc1Br)C2(c3ccc(c(OC4CCCC4)c3)OC)C=CC(CC2)=O	3808
+C1CCC(C1)Oc2c(cccc2OC)C=Cc3nc4ccccc4n3-c5ccc(C#N)nn5	331
+C1CCC(C1)Oc2c(cccc2OC)C=Cc3nc4ccccc4n3-c5nnc(cc5)C(=O)O	6
+C1CCC(C1)Oc2c(cccc2OC)C=Cc3n(c4ccccc4n3)-c5ccc(nn5)C(=O)N	247
+C1CCC(C1)Oc2c3c(c(C=O)cc2)c4ccccc4o3	3809
+C1CCC(C1)Oc2cc(ccc2OC)Cc3nc4cccc(c4o3)[N+](=O)[O-]	2037
+C1CCC(C1)Oc2c(cc(F)c(N)c2)Cl	2622
+C1CCC(C1)Oc2cc(ccc2OC)C3=NOC(CC(O)=O)(C(=O)O)C3	4
+C1CCC(C1)Oc2cc(CC(=O)Nc3c(O)c([N+](=O)[O-])ccc3)ccc2OC	33
+C1CCCC1Oc2c(OC)cc3c(c(cnc3C(c4cc(OC)ccc4)=O)C(O)=O)c2	2038
+C1CCC(C1)Oc2ccc(cn2)C(=O)OCCC(C)=C(F)F	1986
+CC(C)(C)OC(=O)c1c(SC2CCCC2)n(nc1)-c3ccc(cc3)C(=O)OC	6515
+c1ccccc1COc2c(cc(SC3CCCC3)c4cccnc24)Cl	2039
+C1CCC(C1)S(=O)(=O)NC(C(=O)CC(=O)N(Cc2ccc(cc2)F)OC)=O	2623
+C1CCCC1c2c(c(C(=O)N)[nH]n2)NC(CNC(=O)C)=O	3810
+C1CCC(C1)c2cc(ccc2-c3nc(N)ccc3)O	899
+C1CCCC1c2c(c(Cl)ccc2)C(Cl)=O	82
+c1cc(ccc1OCc2c(C3CCCC3)onc2C4CCCC4)-c5ccc6c(ccc(C(OC)=O)n6)c5	20
+C1CCC(C1)c2ccccc2N=C=S	333
+c1ccccc1COc2c(CC=C)cccc2C3CCCC3	139
+c1ccccc1COc2ccc(cc2C3CCCC3)Br	22
+C1CCC(C1)c2cc(CCC(=O)OCC)c([N+]([O-])=O)cc2OC(OC)=O	77
+C1CCC(C1)c2c(O)ccc(c2)-c3c4c(cccc4)c(c5sc(c(c35)C)C)Br	173
+C1CCC(C1)c2c(OC(=O)OC)cc(c(CCC(=O)OCC)c2)N	0
+C1CCCC1c2cc(Cl)c(cc2OC(OC)=O)[N+]([O-])=O	31
+C1CCC(C1)c2ccc(C=O)c(OC)c2	65
+C1CCC(C1)c2c(-c3cccc(n3)-n4c(ccc4C)C)ccc(c2)O	16
+C1CCC(C1)c2c(ccc(OCCN3CCCC3)c2)-c4cccc(N)n4	72
+CN(C)CCOc1ccc(c(C2CCCC2)c1)-c3cccc(N)n3	72
+C1CCC(C1)c2cc(-c3c4c(sc(C)c4C)cc5ccccc35)ccc2OC(C)=O	225
+CC(C)(C)[Si](C)(C)Oc1ccc(C(OC)=O)cc1C2CCCC2	154
+C1CCC(C1)c2cc(C(=O)c3c(sc(C)c3C)Cc4ccc(cc4)Br)ccc2OS(=O)(=O)c5cc(O)c(C(O)=O)cc5	1163
+c1cc(ccc1Cc2sc(C)c(C)c2C(=O)c3ccc(OC)c(c3)C4CCCC4)Br	6516
+FC(F)(F)c1cc(ccc1)C(Nc2ccc(cc2)Nc3nc(C)cc(n3)Nc4cc([nH]n4)C5CCCC5)=O	55
+FC(F)(F)c1cc(ccc1)NC(=O)c2ccc(cc2)Nc3nc(cc(Nc4cc(C5CCCC5)[nH]n4)n3)C	55
+C1CCC(C1)c2cc(Nc3cc(nc(Nc4ccc(cc4)N)n3)C)n[nH]2	55
+C1CCCC1c2ccc(cc2)-c3cc(ncc3)Cl	1164
+c1cc(ccc1C(=CCO)C)C2CCCC2	2624
+c1cc(ccc1C(O)(C)CC(=O)OCC)C2CCCC2	2040
+C1CCC(C1)c2c(N)cccc2	0
+C1CCCN1S(=O)(=O)c2ccccc2Cc3c(n(c(C4CCCC4)c3C#N)CC(O)=O)C	3
+CC(C)(C)C(Nc1cc(ccc1)C=2NC(=O)c3n(c(C4CCCC4)nc3CC)N=2)=O	26
+C1CCC(C1)c2n3N=C(NC(=O)c3c(CC)n2)c4cc(N)ccc4	6517
+C1CCCC1c2n3N=C(NC(=O)c3c(C)n2)c4cc(ccc4OCCC)[N+]([O-])=O	6518
+C1CCCC1c2nc(Cl)c3c(CCC3)n2	64
+C1CCC(C1)c2nc(cc(-c3nc(-c4cc(C)c(c(CC)c4)O)no3)c2)OC	3811
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(c(OCCOS(=O)(=O)C)c(c4)C)CC)c2)OC	7
+c1cc(ccc1OC)CC(Nc2c(noc2C(N)=O)C3CCCC3)=O	6519
+O=S(=O)(NCC)c1cc(C(Nc2sc(C3CCCC3)nn2)=O)c(F)cc1F	900
+CC(C)(C)OC(N1CCN(CC1)c2ccc(Nc3ncc4c(C)c(C(OC)=O)n(c4n3)C5CCCC5)nc2)=O	1618
+CC(C)(C)COC(=O)Nc1c(OC)cc(cc1)-c2c3c(n(C4CCCC4)c2)ncnc3N	90
+c1ccccc1CNC(=O)Nc2ccc(cc2OC)-c3c4c(n(C5CCCC5)c3)ncnc4N	406
+CC(C)(C)NC(Oc1ccc(cc1)-c2c3c(n(C4CCCC4)n2)c(F)ccc3)=O	1890
+c1cc(ccc1-c2c3c(n(C4CCCC4)n2)c(F)ccc3)OC(CC)=O	385
+c1cc(ccc1)OC(=O)Nc2cccc(C(=O)c3c4c(ncnc4N)n(C5CCCC5)c3)c2	90
+CC(C)(C)OC(N1CCN(CC1)c2nnc(Nc3nc4c(cn3)cc(C(N(C)C)=O)n4C5CCCC5)cc2)=O	1618
+c1cc(ccc1NC(=O)c2ccc3c(n(nc3CC)C4CCCC4)c2)C(=O)OC	67
+C1CCC(C1)n2c3c(c4cnc(nc24)Nc5nnc(Cl)cc5)ccnc3	6520
+CC(C)(C)[Si](C)(C)OCC1CCN(CC1)c2cnc(cc2)Nc3nc4n(C5CCCC5)c6c(nccc6c4cn3)F	3812
+C1CCC(C1)n2c3c(c(-c4cc(OC)c(cc4)N)c2)c(N)ncn3	869
+C1CCC(C1)n2c3c(c(C(=O)c4cccc(N)c4)c2)c(ncn3)N	0
+C1CCC(C1)n2c3ncnc(N)c3c(c2)C(c4cccc([N+]([O-])=O)c4)=O	869
+C1CN(CCN1C)CCCOc2c(cccc2)Nc3nc(nc4n(cnc34)C5CCCC5)Cl	53
+FC(F)(F)c1ccc(cc1)-c2noc(C(NC3CC(O)CCC3)=O)c2	1619
+c1(ccc(OCOC)cc1OCOC)C2CC(=NO)CCC2	350
+C1(=C)CCCC(c2c(cc(OCOC)cc2)OCOC)C1	6521
+C1CCCCC(CCCCCC1)C=O	24
+C1CCCCCCCCCCCCCC1C=O	24
+C1CCC(N(C1)c2ccccc2CC=O)=O	24
+C1CCC(Nc2c3cccn3ncc2C(N)=N)C(C1)C	3814
+c1cc(ccc1Oc2c(C3CC(CCC3)O)cccn2)Nc4ccccn4	1605
+C1CCC1(C#N)c2cccc(c2)OCc3ccc(cc3)-n4ccnc4C	139
+C1C(CC1)(C)C(=O)n2ccnc2	3612
+c1ccccc1COc2ccc(cc2)CCNC(=O)C3(CCC3)c4ccc(cc4OC)Cl	9
+c1cc(ccc1Br)C2(CCC2)CO	647
+c1cc(ccc1-c2cc3c(cc2Cl)[nH]cc3C=O)C4(CCC4)C(O)=O	2625
+C1CCC1(Oc2cccc(I)c2)C(=O)OCC	517
+C1CCC1(Sc2c3c(ccc(Br)c3)ncc2)C(OCC)=O	3815
+CC1(C)C(C)(C)OB(O1)c2cnc(OCC3(CCC3)C(OCC)=O)cc2C	234
+c1cc(ccc1C)S(=O)(=O)n2cc(c3cc(cnc23)F)-c4ncc(c(NC(CC(=O)OC)C5(CCC5)C)n4)F	1344
+C1CCC1(c2ccc(Cl)c(Cl)c2)CC(=O)CC	6522
+FC(F)(F)c1cc(ccc1C#N)N2C(=S)N(C3(CCC3)C2=O)c4ccc(cc4)CCCC(=O)N(C)C	6523
+CC1(C)C(C)(C)OB(O1)c2c(cc(cc2F)C3(CCC3)O)F	1327
+c1cc(ccc1)-c2nc(CCOc3cccc(c3)-c4cccc(c4)OC5(CCC5)C(=O)OCC)c(C)o2	267
+c1ccccc1COc2cccc(-c3cccc(OC4(CCC4)C(=O)OCC)c3)c2	134
+C1CCC1(C(O)=O)Sc2c3cc(ccc3ncc2)Br	3
+C1CCC1(Sc2c3c(ncc2)ccc(C#N)c3)C(OCC)=O	1572
+FC(F)(F)c1cc(ccc1)-c2cc3c(ccnc3cc2)SC4(CCC4)C(OCC)=O	11
+C1C(CC1)(C(O)=O)Sc2ccnc3c2cc(C#N)cc3	3
+C1CCC1c2c(c(F)ccc2)OC	564
+C1CCC1(CC(CC)=NO)c2cc(Cl)c(cc2)Cl	350
+C1CCC1(C#N)c2cc(O)ccc2	5
+FC(F)(F)c1nc(ncc1)Nc2cc(-c3sc(C4(CCC4)O)nc3)cc(C#N)c2	836
+C1CC(CCN1C2CCC2)CC(=O)OCC	85
+C1CC(CCN1C2CCC2)Oc3c(F)cc(cc3F)C4=NNC(=O)CC4	85
+C1CN(CCC1Oc2ccc(cc2)-n3ncc(C(OCC)=O)c3)C4CCC4	85
+c1cc(ccc1OC2CCN(CC2)C3CCC3)N4C(C)=Nc5ccccc5C4=O	85
+CC(C)(C)OC(N1CCN(CCC1)C2CCC2)=O	85
+CC(C)(C)OC(N1CCC(CC1)CC2CCN(CC2)C3CCC3)=O	85
+C1CCC1(Nc2ccc(cc2)CCCC(=O)N(C)C)C#N	1345
+C1CCC1(c2c(c(ccc2)F)OC)O	251
+C1CCC1(Nc2ccc(cc2)CCCC(NC)=O)C#N	1345
+C1C(CC1)(c2ccc(nc2Cl)C)O	1239
+FC(F)(F)c1cc(OC)c(C(NC2C(CCCC2)NC3CCC3)=O)c(SC)c1	87
+c1cc(ccc1C)NC2(CCC2)C#N	1621
+C1CCC1N2CCN(CCC2)C(=O)c3ccc(nc3)Cl	85
+O=S(=O)(c1ccc(cc1)-n2cc3CCN(CCc3n2)C4CCC4)C	85
+O=S(=O)(c1ccc(cc1)N2C(C=CC(c3cc4CCN(CCc4cc3)C5CCC5)=N2)=O)C	85
+C1C(CC1)N2CCc3ccc([N+]([O-])=O)cc3CC2	85
+C1C(CC1)N2CCc3c(cc(Oc4c(cc(cc4)I)F)cc3)CC2	85
+C1C(CC1)N(CCCc2c[nH]c3c2cc(C#N)cc3)C4COc5cccc(OC)c5C4	85
+C1CCC1(O)c2cc(F)cc(F)c2	251
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4ccc(C(NC)=O)cc4OC	85
+C1CN(CCC1Oc2ccc(cc2)N3CCN(C(OCc4ccccc4)=O)CC3=O)C5CCC5	85
+c1cc(ccc1-n2nc3CCN(CCc3c2)C4CCC4)NS(=O)(=O)C	85
+C1C(CC1)N2CCc3c(cc(OCc4ccccc4)cc3)CC2	85
+C1C(CC1)(c2nccs2)O	3679
+CC(C)(C)OC(=O)Nc1c(C#CC2CCC2)cc(Cl)nc1	1243
+CC(C)c1c(O)c(C(=O)C2CCC2)ccc1	805
+C1C(CC1)c2nc3c(N(CCCCC)C(NC3=O)=S)[nH]2	6524
+C1CN(CCO1)C(=O)N2CCN(CCC2)c3nc(c4cc(c(cc4n3)OC)OCC5CCC5)N	116
+c1ccnc(OC)c1CCOc2c3cc(C(=O)O)[nH]c3ccc2	3816
+OC(=O)c1cc2c(cccc2OCCc3ccccc3OC)[nH]1	3816
+C1CCC1COc2c3c(ccc2)[nH]c(c3)C(O)=O	6
+C1CCC1Cc2csc(n2)C#N	6525
+C1CCC1Cc2nc(C(=N)NO)sc2	6526
+C1CCC1Cc2csc(C(N)=O)n2	6527
+CC(C)(C)NC(c1cc(CN2C(C)(C)CN(C(=O)c3cc(F)c(cc3)NC(NC4CCC4)=O)CC2)ccc1)=O	3817
+C1CCC1NCCC#N	1287
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(c(S(=O)(=O)NC3CCC3)c2)OC	71
+C1C(CC1)Nc2cccc(F)c2	3436
+C1C(CC1)N2C(Cc3cc(ccc23)[N+]([O-])=O)=O	1611
+c1(cc(cc(Cl)c1Oc2ccc(c(C(=O)NC3CCC3)c2)OC)COC)Cl	14
+C1CCC1NCc2ccc(cc2)N3CCN(CC3)C(C)=O	42
+FC1(F)CN(C2CCC2)c3nc(Cl)ncc3NC1=O	1622
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)S(=O)(=O)N(C3CCC3)c4cccc(F)c4	57
+C1C(CC1)N2CCC3(CCN(CC3)S(=O)(=O)c4ccc(cc4)C(=O)C)CC2	92
+C1C(CC1)N2CCC3(CCN(CC3)c4nnc(cc4)Cl)CC2	212
+C1CCC1N2CCc3sc(nc3CC2)-c4ccc(cc4)N5CCN(C5=O)C	2626
+c1cc(ccc1)C2=C(N)c3cnc(nc3N(C4CCC4)C2=O)SC	3818
+FC1(F)C(N(c2c(nc(nc2)Nc3ccc(cc3)C(O)=O)N(C1)C4CCC4)C)=O	55
+C1C(CC1)NCCCN	51
+C1CCC1N(Cc2ccc(cc2)N3CCN(CC3)C(C)=O)S(=O)(=O)Cc4ccccc4	112
+C1CCC1Oc2nc(N)c3c(n2)n(C4OCCCC4)cn3	6528
+C1CCC1OC(=O)N2CCN(CC2)C(=O)OCc3ccccc3	3630
+COc1cc(cc(OC)c1Br)COC2CCC2	555
+C1C(CC1)OC(N2CCC(CC2)N(C)Cc3ccc(nc3)-c4ccc(cc4)S(=O)(=O)C)=O	1468
+C1C(CC1)OC(=O)N2CCNCC2	62
+CC1(C)OB(OC1(C)C)c2ccc3N(C(C)CCc3c2OC4CCC4)C(C5CC5)=O	17
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3ccc4c(CCC(C)N4C(C5CC5)=O)c3OC6CCC6)cn2	320
+C1CCC1Oc2c(-n3nccc3)ccc4N(C(C5CC5)=O)C(C)CCc24	901
+CC1(C)OB(OC1(C)C)c2c(c3CCC(C)N(c3cc2)C(OC)=O)OC4CCC4	17
+C1CCC1Oc2nc(c3nc(OC)n(C4OCCCC4)c3n2)N	1010
+CC1(C)OB(OC1(C)C)c2ccc(cc2OC)S(=O)(=O)C3CCC3	17
+C1CCC1c2[nH]c3nccc(Cl)c3c2	6529
+c1cc(ccc1C#N)COc2c(ccc(c2F)-c3cc4OCCNc4nc3)C5CCC5	22
+CC(C)OB(OC(C)C)c1ccc(C2CCC2)c(OC)c1F	1327
+OB(O)c1ccc(C2CCC2)c(c1F)OC	1509
+CCOC(OCC)c1cc(Br)cc(C2CCC2)c1OC	6530
+C1C(CC1)c2[nH]c3c(ccc[n+]3[O-])c2	6531
+C1CCC1n2cc(C#N)c3ccc(O)cc23	5
+CC(C)(C)OC(=O)NC1CN(c2c(cncc2)NC(c3nc4n(C5CCC5)ccc4cc3)=O)CC(C)C1	510
+C1CCCC12CCCC(C2O)C(OC)=O	770
+c1cc(ccc1)COc2cc(C(N3CCC(CC3)N4C(C5(CCCC5)C(c6cc(c(OC)cc6)OC)=N4)=O)=O)c(C)cc2	30
+C1CCC2(C1)c3ccc(N)cc3C(C2)=O	0
+C1CCC2(C1)CC(CC=O)(CCO2)n3nccc3	1981
+C1CCCC12CC(CCNCc3cccs3)(CCO2)n4nccc4	110
+C1CCC2(C1)C(=O)C(CCC2)C(OC)=O	6532
+c1cc(ccc1)CN2C3(CCCC3)CNC(C)(C)C2	15
+C1CCC2(C1)c3ccc(cc3C(=O)C2)O	477
+C1CCCC12CC(c3cc(OC)ccc23)=O	65
+C1CCC2(C1)CC(=O)c3cc(ccc23)[N+](=O)[O-]	77
+CC(C)(C)[Si](C)(C)OC1CCCC2(C(CCCC12)=O)C	19
+C[Si](C)(C)C#Cc1ccc(N2C3CCCC3N(C)C2=O)nc1	3819
+C1CC(C(O)=O)=C(C(=O)Nc2sc3CCCc3c2-c4onc(C)n4)CC1	3788
+C1(C2=C(C(=O)N1c3cc(ccc3F)O)CCCC2)=O	2380
+c1cc(ccc1SCC2CCCCC2C(NCC#N)=O)SC	636
+C1CCCC(CC1)(NC(=O)c2ccc(OC)c(OC(C)=O)c2)C(OC)=O	259
+C1CCCC(CC1)(O)CC(Nc2c(C)ccc3C(=O)N(C=Cc23)C(CO)C)=O	59
+C1CCCC(CC1)(CNC(c2cccc3C(=O)N(C=Cc23)Cc4ccc(cc4)F)=O)O	6533
+C1CCCC(CC1)N2CCC3(CC2)OC(N(C)c4ccccc34)=O	6534
+C1CCCCC(C1)Oc2ccc(nc2)Cl	1346
+C1CN(CCN1C(=O)NC2CCCCC(O)C2)c3ccnc4cc(Cl)ccc34	2041
+CC(C)(C)OC(N1CCC(CC1)NC2CCCCC2CN=[N+]=[N-])=O	87
+c1cc(ccc1OC=2C=NN(C(C(=O)O)CC3CCCC3)C(C=2)=O)OC	6535
+C1CCOC(N2C(C(Cl)=C(Oc3c(cccc3)C(C)=O)C=N2)=O)C1	3820
+C1CCOC(N2C(C(=C(Oc3c(C)c(C)ccc3C)C=N2)Cl)=O)C1	3820
+FC(F)(F)c1c(ccc(c1)-c2cc3c(ncn3C4CCCCO4)c(C#N)n2)OCCCO	1165
+CC1(C)OB(OC1(C)C)c2cc(C)c3c(n(C4CCCCO4)cn3)c2	1623
+C1CCCC(O1)n2cnc3c2ccc(C#N)c3Cl	2627
+C1CCCC(n2c(OC)nc3c(nc(OC(CC)C)nc23)N)O1	1010
+C1CCCC(n2c(OC)nc3c(nc(OC(CCC)C)nc23)N)O1	1010
+C1CCCC(n2c(OC)nc3c(nc(OCC(C)CC)nc23)N)O1	1010
+c1cc([N+]([O-])=O)cc(F)c1Oc2c(cc3n(C4CCCCO4)ncc3c2)C(=O)OCC	46
+c12ccc(-c3c(CC)cc(OC)c(c3)F)cc1n[nH]c2	804
+C1CC1c2c(-c3ncc4c(c3)n(nc4)C5CCCCO5)cc(F)c(c2)OC	3821
+c1ccccc1COc2ccc3c(nn(c3c2)C4OCCCC4)C(OCC)=O	22
+[N-]=[N+]=NCc1ccc2c(c1)n(C3CCCCO3)nc2	545
+C1CCCC(n2c3ccc(C#CC=O)cc3cn2)O1	2628
+c1cc([N+]([O-])=O)cc2c(nn(C3CCCCO3)c12)-c4[nH]c5c(cccc5)n4	567
+c1(ccccc1-c2nn(C3CCCCO3)c4ccc(C#N)cc24)OC	1624
+c1cc(ccc1)CN2C(C)CC(Cn3c4ccc(-c5cn(C6CCCCO6)nc5)cc4cn3)C2	6536
+c1cc(ccc1)CCC(=O)N2C(C)CC(C2)Cn3ncc4c3ccc(-c5cn(C6CCCCO6)nc5)c4	58
+c1ccccc1S(=O)(=O)n2ccc3c2ncc(-c4c(-c5ccnc(SC)n5)cn(C6CCCCO6)n4)c3	276
+C1CC(CCN1C(=O)OCc2ccccc2)Cn3c4c(nc(cc4)-c5cn(nc5)C6CCCCO6)cc3	6537
+CC1(C)OB(OC1(C)C)c2cn(C3CCCCO3)nc2	2611
+C1CCCC(n2cnc(-c3sc(-c4ccnc(NC(OC)=O)c4)c(C#N)c3Br)n2)O1	6538
+C1CCCC(n2cnc3c2nc(nc3N)OCC(C)CC)O1	482
+C1CCCC(n2cnc3c2nc(nc3N)OC(CCC)C)O1	482
+CC(C)(C)OC(=O)N1CCN(C(C)c2cnc(F)c(-c3nc(nc4n(cnc34)C5CCCCO5)C)c2)C(C1)C	3822
+CC(C)(C)OC(N1CCN(CC1)Cc2cc(-c3c4c(n(cn4)C5CCCCO5)nc(n3)C)c(nc2)F)=O	3822
+C1CCCC(n2cnc3c2nc(Cl)nc3N)O1	1095
+c1cc(ccc1)C(c2ccccc2)CNc3nc(Cl)nc4c3ncn4C5OCCCC5	516
+c1(nc(c2c(n1)n(cn2)C3CCCCO3)N)NC(CCC)C	1333
+CC(C)(C)OC(=O)N1CC(C1)c2c(OC)c(cc(c2C)Cl)C(C)Nc3c4ncn(c4ncn3)C5CCCCO5	2042
+c1cc(ccc1[N+]([O-])=O)Oc2c3ncn(C4OCCCC4)c3ncn2	6539
+n1c2cccnc2c(-c3ccc(cc3F)C(=O)OC)[nH]1	6540
+C1CCCCN1CCOc2cc3c([nH]c(-c4nn(cc4[N+]([O-])=O)C5OCCCC5)n3)cc2F	567
+N1(C)CCN(c2c(cc3nc([nH]c3c2)-c4c([N+]([O-])=O)cn(C5CCCCO5)n4)F)CCC1	567
+CN(C)CCNc1c(F)cc2[nH]c(nc2c1)-c3nn(cc3[N+]([O-])=O)C4OCCCC4	567
+C1CCCC(n2nc(c3cccnc23)CCO)O1	95
+Clc1cc(C#N)cc(c1)OC2=C(C)C=CN(CCc3c4cccnc4n(n3)C5CCCCO5)C2=O	6541
+FC(F)(c1ccccc1)c2nc(on2)C3CCC(Nc4c5c([nH]nc5)ncn4)C3	6542
+c1ccccc1-c2nc(on2)C3CCC(Nc4ncnc5c4cnn5C6OCCCC6)C3	3823
+C1CN(CCC1Nc2c3c(ncn2)n(C4OCCCC4)nc3)CC(F)(F)Cc5ccccc5	3823
+c1cc(ccc1C2(CCCC2)C(NCC(=O)OC)=O)-c3ccc(cc3)CCN4C(CCC4)C	188
+C1CCCC1(C(O)=O)Cc2ccccc2	3
+C1CCCC1(c2c(Cl)c(cs2)C)C(=O)NN	1296
+c1c(Cl)c(c(cc1)Cl)C(Nc2ccc(cc2)CC(NC(=S)C3(CCCC3)CCCCS(=O)(=O)C)C(=O)OC)=O	50
+c1cc(ccc1CC(C(OC)=O)NC(C2(CCCC2)Cc3ccccc3)=O)[N+]([O-])=O	188
+C1CCCC1(C(Cl)=O)c2c(Cl)c(cs2)C	130
+C1CCC(C1)(CC(N)=N)c2c3c(ccc2)cccc3	3824
+C1CCC(C1)(CC(Cl)=C)C(O)=O	4
+CC(C)(C)OC(c1c(OCc2ccccc2)c(O)nc(CC3(CCCC3)c4ccc(cc4)Br)n1)=O	6543
+C1CCCC1(C#N)COCc2ccccc2	149
+CC(C)(C)OC(=O)NCC1(CCCC1)CO	37
+C1CCCC1(COS(=O)(=O)C)c2c3ccccc3ccc2	7
+C1CCCC1(CC#N)c2cccc3ccccc23	300
+C1CCCC1(NC(=O)c2ccc3c(c2OCC4Oc5ccccc5OC4)cccc3)C(=O)OC	259
+C1CCCC1(C(O)=O)NC(c2ccc3ccccc3c2OCC4Oc5ccccc5OC4)=O	4
+C1CCCC1(c2ccc(cc2)O)C	957
+C=1CCCC=1c2ccncc2Br	252
+C1CCCC1(O)c2c(cncc2)N3C(N(c4cc(ncc4)Cl)CC3)=O	3825
+C1CCC(C1)(c2scc(c2Cl)C)C(NNC(NC)=S)=O	6544
+C1CCCC1(c2c(c(cs2)C)Cl)c3nnc4n3CCCCC4	3826
+c1cc(ccc1Br)C2(CCCC2)CC#N	300
+C1CC(CCC1C2(CCCC2)C)O	2391
+CC(C)(C)OC(=O)c1nc(CC2(CCCC2)c3ncccc3)nc(O)c1OCc4ccccc4	6545
+C1CCCC12C(CN(C(CC#N)=O)C2)Nc3nc(Nc4cn(C)nc4)ncc3C	10
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(C3(CCCC3)C(c4cc(c(OC)cc4)OC)=N2)=O	6546
+C1CC(CCC1)N2N(C(C)=C(NC(c3noc(C4=CCC5(CCCC5)CC4)c3C)=O)C2=O)C	2629
+C1CCCC12CC=C(c3c(C)c(C(=O)O)no3)CC2	6
+C1CCC2(C1)C(OS(=O)(=O)C)C(C(=O)OC)CCC2	7
+C1CCC(C1)(Sc2ccc(cc2)Oc3ccccc3)CC(=O)O	6547
+C1CCCC1c2c(C(=O)OCC)c(C3CCCC3)on2	6548
+C1CCCC1C(CC#N)=O	1982
+C1CCCC1C(c2ccc(cc2)Cl)C(O)=O	4
+C1CCCC1c2cc(n[nH]2)N	3321
+Clc1cccc(Cl)c1-c2noc(C3CCCC3)c2C(=O)OCC	6549
+C1CCCC1c2n(CC(OCC)=O)c(cc2)C	6550
+C1CN(CCN1C2CCCC2)c3nccc(NC(C4CCCC4)=O)n3	195
+FC(F)(F)c1cc(cc(NC(=O)C2CCCC2)c1)-c3cnco3	26
+c1cc(ccc1NC(=O)C2CCCC2)S(=O)(=O)C	26
+C1CCC(C1)C(=O)Nc2c3c([nH]c2)ncc(Cl)c3F	308
+C1CCCC1C(=O)Nc2cccc(NC=3C=C4N(CCc5c4ccc(OC)c5)C(=O)N=3)c2	6551
+C1CCC(C1)C(NC(CC)c2c(nc(-c3cc(ccc3)[N+](=O)[O-])nn2)O)=O	68
+C1CCC(C1)C(NC(c2c(nc(C3OCCC3)nn2)O)CC)=O	68
+CC(C)(C)OC(N1CCCC(c2nc(C3CCCC3)on2)C1)=O	1166
+C1CCC(C1)C(=O)NCCn2c3CCN(Cc3c4cc(ccc24)C)C	9
+C1CC(CCN1C)OC(C(c2cccc(F)c2)(C)C3CCCC3)=O	2630
+CC(C)(C)OC(C1(CC1)Cc2cc(ccc2)NC(=O)C(c3ccc(cc3)COC(C)=O)C4CCCC4)=O	33
+CC(C)(C)OC(C1(CC1)Cc2cc(ccc2)NC(=O)C(C3CCCC3)c4ccc(cc4)Cl)=O	33
+c1ccccc1C(C2CCCC2)(C(O)=O)C	4
+C1CCCC1C2(CCN(CC2)c3ccc(cc3)C(=O)NN)OC	1094
+c1cc(ccc1F)Cc2nc(on2)C3=C(OCc4ccccc4)C(=O)N(C(=N3)C5CCCC5)C	6552
+CC(C)OC(c1cc2c(cc1)C3=NN(C(C4CCCC4)C3CC2)c5cc(Cl)c(C#N)cc5)=O	47
+C1CCCC1C2N(N=C3c4ccc(cc4CCC23)C(=O)O)c5cc(Cl)c(C#N)cc5	1
+C1CCCC1C2=NC(=C(C(=O)N2C)OCc3ccccc3)C(O)=O	108
+C1CCCC1C=C(c2n(c3ncc(OC(C)C)cc3c2)S(=O)(=O)c4ccccc4)c5ccc(cc5)S(=O)(=O)C	2034
+C1CCCC1C=C(c2ccc(cc2)S(=O)(=O)C)c3cc4c(ncc(c4)O)n3S(=O)(=O)c5ccccc5	390
+C1CCC(C1)C=C(c2cc3c(ncc(c3)OC(C)C)[nH]2)c4ccc(cc4)S(=O)(=O)C	1017
+C1CCCC1CC#Cc2cc(C(=O)NC(CO)Cc3c[nH]c4ccccc34)c(OC(C)C)cc2	121
+C1CCCC1CC(=O)Nc2cnc3n(ccc3c2NC4CCN(CC4)S(=O)(=O)C)S(=O)(=O)c5ccccc5	112
+c1cc(ccc1C(CC2CCCC2)=O)CCl	109
+C1CCC(C1)CC(CN(OCc2ccccc2)C=O)C(=O)NNc3nc(nc(N4CCN(CC4)C)c3F)CC	355
+C1CCCC1CC(C(=O)Nc2ccn(CC(C)(C)O)n2)N3N=CC=CC3=O	142
+C1CCCC1CC(C(Nc2ncc(Br)cc2)=O)c3ccc(c(F)c3)-n4c(nnn4)C	142
+c1ccccc1C(=O)Nc2ccc(cc2)C(CC3CCCC3)C(=O)Nc4sccn4	373
+c1cc(ccc1N)C(CC2CCCC2)C(=O)O	0
+c1cc(ccc1C(C(=O)Nc2sccn2)CC3CCCC3)[N+]([O-])=O	373
+C1CCCC1CC(C(NC2CCCN(S(=O)(=O)c3ccccn3)CC2O)=O)NC(=O)c4occc4	2043
+C1CCCC1CC(C(NC2C(O)CNCCC2)=O)NC(=O)c3occc3	62
+C1CCCC1CC(NC(=O)c2occc2)C(=O)NC3CCCN(S(=O)(=O)c4ccccn4)CC3=O	86
+C1CCCC1CC(N)C(OC)=O	27
+C1CCCC1CC(c2ccc(S(=O)(=O)C)c(c2)Cl)C(O)=O	902
+C1CCCC1CC(C(OC)=O)N2C(C=C(Oc3c(C)ccc(C)c3C)C=N2)=O	3827
+C1CCCC1CC(N2C(=O)C=C(C=N2)Oc3c(cccc3)C(=O)C)C(OC)=O	3827
+C1CCCC1CC(N2C(C=CC=N2)=O)C(OC)=O	6553
+C1CCC(C1)CC(C(=O)O)N2C(C=C(Oc3c(C)ccc(C)c3C)C=N2)=O	4
+c1cc(ccc1C(C(N)CC2CCCC2)N)Cl	2526
+FC(F)(F)c1cccc2c1CN(C2=O)C(C(OC)=O)CC3CCCC3	1880
+C1CCC(C1)CC(N2C(C=C(Oc3c(cccc3)C(=O)C)C=N2)=O)C(=O)O	4
+C1CCCC1CC(C(=O)O)N2N=CC=CC2=O	4
+C1CCCC1CC(C(=O)Nc2nc3ccccc3cc2)c4cc(C#N)c(cc4)S(=O)(=O)C	142
+c1cc(ccc1C#N)Cn2ccc(NC(=O)C(c3cc(c(S(=O)(=O)C)cc3)Cl)CC4CCCC4)n2	6554
+C1CCCC1CC(c2cc(c(S(=O)(=O)C)cc2)Cl)C(=O)Nc3ccn(n3)C	142
+C1CCCC1CC(C(=O)Nc2ncc(nc2)CC#N)c3cc(c(S(=O)(=O)C)cc3)Cl	1018
+c1cc(ccc1C(C(=O)Nc2sccn2)CC3CCCC3)Br	373
+C1CCCC1CCC(=O)N2CCC3c4cccc(OC)c4CCC23	58
+CC(C)(C)OC(C(O)=O)c1c(nc2cc(nn2c1-c3cc(c4c(CCCO4)c3C)F)NC(=O)CCC5CCCC5)C	195
+C(c1cccc(CC)c1NC(CCC2CCCC2)=O)C	26
+C1CCC(C1)CCC(Nc2c([N+](=O)[O-])cc3C(CCc3c2)=O)=O	26
+C1CCC(C1)CCCN2C3CCc4c(cccc4C3CC2)OC	15
+C1CCCC1CCCC=O	3828
+C1CCCC1CCCCO	237
+C1CCCC1CCC=O	24
+FC(F)(F)c1c(cc(C(C(OC)=O)CC2CCCC2)cc1)F	434
+FC(F)(F)c1cc(C(C(O)=O)CC2CCCC2)ccc1F	434
+C1CCC(C1)CC(C(OC)=O)c2cc(c(SC)cc2)Cl	434
+C1CCC(C1)CC(c2ccc(c(Cl)c2)Cl)C(O)=O	434
+C1CCCC1CC(c2ccc(cc2)Br)C(=O)O	434
+C1CCC(C1)CC(c2ccc(cc2)OCc3ccccc3)C(OC)=O	434
+c1cc(ccc1C(C(OCC)=O)CC2CCCC2)S(=O)(=O)CC(C)=O	434
+C1CCC(C1)CC(c2ccc(cc2)[N+]([O-])=O)C(OCC)=O	434
+C1CCCC1CNc2c([N+]([O-])=O)cc(cc2)N(S(=O)(=O)c3ccccc3)C	60
+C1CCCC1CN(c2ccc(nc2C=O)OC)CC	178
+C1CCCC1CN(CC)c2c(nc(cc2)OC)CO	1262
+CC(C)(C)OC(=O)c1ccc(Cn2cc(C=O)c3c2cc(cc3)CC(NCC4CCCC4)=O)c(OC)c1	190
+C1CCCC1CNC(=O)Cc2cc3[nH]cc(C=O)c3cc2	287
+C1CCCC1CNc2c(N)cc(cc2)N(C)S(=O)(=O)c3ccccc3	0
+C1CCCC1CS(=O)(=O)NC(=O)C2CCN(CC2)c3nc(C)c(cc3C#N)C(OC(C)C)=O	344
+C1CCCC1Oc2cc(O)c(C=O)cc2	313
+C1CCCC1NCCc2ccc(cc2)OC	6555
+C1CCCC1Oc2ccc(cc2)Cc3cc(ccc3Cl)Br	313
+C1CCC(C1)Nc2n3nc(-c4ccco4)c(c3ccc2)-c5nc(NC6CCCC6)ncc5	1162
+C1CCC(C1)Nc2nccc(n2)-c3c(nn4c(NC5CCCC5)cccc34)Cc6ccccc6	1162
+C1CCC(C1)Nc2nc(ccc2)CCOC3OCCCC3	340
+CC(C)(C)OC(=O)NC(C(=O)NC1CCCC1)CC#N	9
+C1CCCC1Nc2cc(ccn2)-c3c(c4ccccn4n3)-c5ccnc(NC(C)C)n5	182
+C[Si](C)(C)CCOCn1c2nc(Cl)nc(c2c(I)c1)NC3CCCC3	974
+C1CCCC1Nc2c(C)c(C)nc(NCc3ccccn3)n2	40
+C1CCCC1Nc2ncccc2C(=O)c3c4c([nH]c3)cc(Cl)cc4	70
+C1CCCC1Nc2nc(Cl)ncc2[N+](=O)[O-]	40
+c1(nc(nc(Cl)c1)NC2CCCC2)Cl	96
+FC(F)(C)C(=O)NC(C)C(Oc1cc2cnn(-c3cccc(c3)C(=O)NC4CCCC4)c2cc1)c5ccc(OC)nc5	2527
+C1CCC(C1)NCC(=O)N2C(C#N)CCC2C	402
+C1CCC(C1)Nc2c(nc(c(n2)C#N)C#N)N	464
+C1CCC(C1)Nc2ccc(cc2)S(=O)(=O)Oc3ccc4nc(Nc5cc(c(cc5)OC)OC)n(c4c3)Cc6ccccc6	60
+C1CCC(C1)NS(=O)(=O)c2cc(cc3ncccc23)-c4c(noc4C)C	71
+C1CCC(C1)Nc2cc(ccn2)-c3c(nn4ccccc34)-c5nc(sc5)C	182
+C1CCCC1Nc2cc(Cl)nc(NC3CCCC3)n2	40
+C1CCC(C1)Nc2cc(cc3c(c(nn23)-c4ccc(cc4)OC)-c5nc(SC)ncc5)Cl	1162
+c1cc(ccc1C(CBr)=O)S(=O)(=O)NC2CCCC2	71
+C1N(CC1)C2=NC3C(O)C(O)C(CNC4CCCC4)OC3S2	463
+C1CCC(C1)Nc2cccc3c(c(nn23)-c4ccc(cc4)F)Br	1162
+C1CCC(C1)NCc2ccc(cc2)N3c4c(cc(c(c4Cl)N5CCN(CC5)c6ccccn6)F)C(=O)C(C(OCC)=O)=C3	370
+c1cc(ccc1OC)CN2C(=O)C(=C(CNC3CCCC3)N(CCC)C2=O)[N+](=O)[O-]	6556
+C1CCC(C1)Nc2cccc3c(c(nn23)-c4ccncc4)C(C)=O	1162
+C1CCCC1Nc2c3n(c4c(cccc4)n2)c(C)nn3	3829
+C1CCCC1Nc2c(I)c(Cl)nc(CC)n2	40
+C1CCCC1N2CC(C(Nc3cnc(Cl)nc23)=O)CCC	1622
+C1CCCC1N2c3c(cnc(Cl)n3)NC(C(C)(C2)F)=O	1622
+C1CCCC1N2CC(F)(F)C(=O)Nc3cnc(Cl)nc23	1622
+C1CCCC1N2c3c(NC(C2CC)=O)cnc(Cl)n3	2044
+C1(C)CN(CC(C)O1)c2ccc(Nc3ncc4C(=C(C(=O)N(C5CCCC5)c4n3)C(C)=O)C)nc2	6557
+C1CCCC1N2N(C(CN3CCN(CC3)c4c(ccc(Cl)c4)OC)=C(C2=O)Cl)C	3830
+C1CCCC1N2C(CC)C(=O)N(C)c3cnc(nc23)-c4c(cncc4)CNS(=O)(=O)C	111
+C1CCCC1N2CCc3c(cc(cc3)O)C2=O	5
+C1CCC(C1)N2c3nc(ncc3N(C(=O)C(F)(C)C2)C)Nc4ccc(cc4OC)C(=O)O	55
+C1CCCC1N2c3c(cc(F)c(NC4CCCCC4)c3)C(=O)C(Oc5ccc(cc5)C(O)=O)=C2	872
+FC1(F)C(N(c2c(nc(Nc3cc(F)c(C(=O)OC)cc3OC)nc2)N(C4CCCC4)C1)C)=O	55
+C1CCCC1N2CC(C(=O)N(C)c3c2nc(Cl)nc3)(C)F	998
+C1CCCC1NC(C2(C(=O)NCCC2)COc3cccc(N)c3C#N)=O	623
+C1CCCC1NC(=O)C2(C(=O)NCCC2)COc3c(C(N)=N)c(ccc3)N	6558
+C1CCCC1NC(=O)C2(COc3cccc(N)c3C(NO)=N)C(=O)NCCC2	181
+C1CCCC1NC(=O)C2(C(=O)NCCC2)COc3cccc(c3C#N)F	57
+C1CCCC1N(CC(C(=O)OCC)CCC)c2nc(Cl)ncc2[N+](=O)[O-]	54
+C1CCCC1N(CC(C(OCC)=O)(C)F)c2nc(Cl)ncc2[N+]([O-])=O	54
+c1cc(ccc1)CN(C2CCCC2)CC(C(OCC)=O)(O)C	131
+O=S1(=O)CCC(Nc2c(C)c(C)nc(NCc3ccccn3)n2)C1	3793
+c1(F)cc(Nc2nc(NCc3ccccn3)nc(c2C)C)ccc1F	6559
+C1CCC(C1)Nc2nc(N3CCNCC3)cc(n2)NC4CCCC4	54
+C1CCCC1Nc2nccc(-c3nn4c(cccc4Cl)c3-c5nc(NC(C)C)ncc5)c2	2621
+C1CCC(C1)Nc2nc(ccn2)-c3c(nn4c(nccc34)SC)-c5cc(Cl)ccc5	6560
+c1ccccc1CCNc2ncccc2C(c3c[nH]c4cc(Cl)ccc34)=O	6561
+C1CCC(C1)OC(=O)Nc2ccc3c(n(Cc4ccc(C(=O)OC)cc4OC)nc3OC)c2	90
+O=S(=O)(C)c1c(Cl)cc(cc1)C(=NOC2CCCC2)C(Nc3nn(CCC)cc3)=O	6562
+C1CCC(C1)Oc2cc(c(F)cc2Cl)NC(OC)=O	6563
+C1CCCC1Oc2c(OC)cc(cc2)CC(O)=O	4
+C1CCCC1Oc2cc(C(=O)Cl)ccc2SC	82
+C1CCCC1Oc2cc(NC(=O)C=3CCCCC=3C(NCCCC)=O)c(F)cc2Cl	3440
+C1CCCC1Oc2c(SC)ccc(C(O)=O)c2	1
+Clc1cncc(Cl)c1NC(c2ccc(SC)c(OC3CCCC3)c2)=O	50
+C1CCC(C1)Oc2cc(ccc2OC)C=3CC(ON=3)(CC(=O)OC)C(O)=O	4
+FC(F)(F)S(=O)(=O)Oc1cc(OC2CCCC2)ccc1C=O	166
+C1CCCC1Oc2cc3c(cc2OC)C(Cc4cc(OC)ccc4)NC=C3C=O	6564
+C1CCC(C1)Oc2c(OC)cc3c(Cc4cc(OC)ccc4)ncc(C=O)c3c2	6565
+FC(F)(F)c1nn(-c2ccc(cc2)CNS(=O)(=O)C3CCCC3)c4c1CCCC4	111
+C1CCC(C1)Sc2c(C=CC(=O)NC3C(CCCC3)O)cccc2	2632
+C1CCCC1c2ccc(cc2)-c3c(cn(C)c3C(OCC)=O)C#N	6566
+C1CCC(C1)c2c(CO)c(on2)C3CCCC3	903
+C1CCCC1c2c3c(c(O)nc(CNC(C)=O)n3)[nH]n2	6567
+C1CCC(C1)c2c(C(O)=O)c(Cl)ccc2	1
+C1CCC(C1)c2noc(C(=O)N)c2N	6568
+C1CCCC1c2ccncc2N3C(=O)N(c4ccnc(Cl)c4)CC3	3825
+C1CCCC1c2c3c(n[nH]2)c(nc(CN)n3)O	524
+C1CCCC1c2n[nH]c3c(O)nc(CNCCCl)nc23	110
+C1CCCC1c2c(OCc3ccccc3)ccc(C=CC(=O)OCC)c2	530
+C1CCCC1c2c(OC(=O)OC)cc(N)c(c2)Cl	0
+C1CCC(C1)c2cc(O)c(cc2)C=O	491
+c1ccccc1COc2cc(ccc2)C3CCCC3	22
+C1CCC(C1)c2cc(n[nH]2)Nc3cc(C)nc(Cl)n3	349
+c1cc(ccc1C2CCCC2)-c3ccnc(c3)-c4c5c(c6ccc(C)nc6o5)ccc4	6569
+c1cc(ccc1N2C(=O)c3ccccc3N=C2c4cnc(Cl)cc4)C5CCCC5	6570
+O=S(=O)(N1CCCC1)c2ccccc2Cc3c(n(CC(OCC)=O)c(C4CCCC4)c3)C	1919
+C1CCCC1c2nc(C)c3C(NC(=Nn23)c4cc(N)ccc4OCCC)=O	0
+C1CCCC1c2n3N=C(NC(=O)c3c(C)n2)c4cc(NS(=O)(=O)c5cc(C#N)ccc5)ccc4OCCC	69
+C1CCCC1c2c(c(on2)C(=O)N)[N+](=O)[O-]	2633
+c1(Cl)cccc(Cl)c1-c2noc(c2COc3ccc(cc3)-c4cc5c(cc4)nc(cc5)C(OC)=O)C6CCCC6	20
+C1CCCC1n2c(cc3c2nc(Cl)nc3)C(O)=O	2634
+C1CCC(C1)N2C=3C(C(=O)N=C(c4c(OCC(OCC)=O)cccc4)N=3)=C(CC)N2	2635
+C1CCC(C1)N2C3=NC(c4cc(OCC(OCC)=O)ccc4)=NC(=O)C3=C(N2)CC	2635
+C1CCC(C1)N2C3=NC(c4cccc(OCc5ccncc5)c4)=NC(=O)C3=C(N2)CC	2635
+C1CCCC1n2ncc(c2N)C(N)=O	3832
+C1CCCC1n2c3nc(nc(c3nn2)O)CCl	6571
+C1CCC(C1)n2c3c(cc2C(=O)N(C)C)cnc(Cl)n3	147
+C1CCCC1n2c(C=O)cc3c2nc(Cl)nc3	1921
+C1CCCC1n2nc(-c3cc(CC#N)ccc3)c4c2ccnc4O	104
+CC(C)(C)OC(Nc1c(OC)cc(cc1)-c2c3c(ncnc3Cl)n(c2)C4CCCC4)=O	1311
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+C1CCCc2c(Cl)n3nccc3nc2C1	3833
+C(Cn1c2c(cc(C(=O)N3C4C(CCCC4)CCC3)cc2)nc1)N=[N+]=[N-]	30
+C1CCCC=C1CCC(OC)=O	27
+C1CCCC=C1CCC(=O)O	1317
+C(COc1cccc(-c2noc3cc(ccc23)F)c1)(CNCCC=4CCCCC=4)O	122
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+c1ccccc1N2CNC(=O)C23CCN(CC3)C4(CCCCCC4)C#N	735
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+C1CCCCCC12OC2	1626
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+CC(C)(C)OC(=O)NCc1ncc(OC2CCCCCC2)cc1	3835
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+CC(C)(C)OC(=O)NC1(CCCCC1)CNc2c3c(ncc2[N+](=O)[O-])cccc3	37
+CC(C)C(C(C(NC1CCCCNC1=O)=O)O)NC(C2(CCCCC2)NC(N3CSCC3)=O)=O	9
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+C1CC(CCC1)(c2cc(C(C)C)ccc2)O	251
+COC(OC)c1c([N+]([O-])=O)ccc(c1)Oc2cc(ccc2)NC3CCCCC3	231
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+C1CCCCC1NCC(O)C	87
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+C1CC(CCC1)Nc2n(nc3CCCCc23)-c4ccccc4	1270
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+c1ccccc1C(=O)N2Cc3c(CC2)nnc(c3)NN=C4CCCCC4	3506
+C1CC(CCC1)N2CCc3ccc(OCc4ccccc4)cc3CC2	85
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+c1ccccc1COc2ccc3oc(C(C4CCCCC4)=O)c(c3c2)C	6577
+C1CC(CCC1)C(=O)c2c(c(cc(C)c2)C)OC	65
+CC(C)(C)OC(NC(C(Nc1ncccc1C(C2CCCCC2)=O)=O)c3sccc3)=O	142
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+C1CCCCC1c2nc(sc2C(OCC)=O)-c3c(C)nn4c3cccc4	6578
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+CC(C)(C)OC(NC(CC(=O)O)C1CCCCC1)=O	37
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+CC(C)(C)OC(N1CCC(CC1)Oc2ccc(cc2)N(Cc3ccc4c(cc(C#N)cc4)c3)C(=O)C5CCCCC5)=O	192
+CC(C)(C)OC(NC1CN(C(=O)C2CCCCC2)c3ccc(cc3NC1=O)C)=O	192
+C1CCCCC1C(=O)c2c(O)c(cc(c2)C)C	94
+O=S(=O)(N)c1cc2CCN(c2cc1)C(C3CCCCC3)=O	192
+c1cc(ccc1F)C(C2CCCCC2)=O	94
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+C1CC(CCC1)C(C)NC(c2c(C)c(nc3ccc(F)cc23)-c4ccccc4)=O	14
+C1CCCCC1C(C(=O)NC(C(O)c2nc3c(cccc3)o2)CC)NC(=O)c4ccc(cc4)-c5c(Cl)cccc5	1007
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+C1CCCCC1C(C(O)=O)NC(c2cnccn2)=O	4
+C1CCCCC1C(=O)c2cccnc2N	905
+C1CCCCC1C(c2c(F)nccc2)=O	716
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+C1CC(CCC1)OCC(CO)(C2CCCCC2)COC	6580
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+C1CC(CCC1)CC(=O)Nc2c(ccc3nc(Cl)ccc23)C	26
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+C1CC(CCC1)CC(CO)CCCC	21
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+C1CC(CCC1)CC(C(=O)O)(C(=O)O)CCCC	3
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+c1cc(ccc1N(N)CCC2CCCCC2)C	6583
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+C1CC(CCC1)CCc2sc(nc2-c3c(cc(Cl)c(OC)c3)OC)NC(c4c(C)c5cc(ccc5n4CC(OC)=O)C)=O	2434
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+C1CN(CCN1C(C(NC(N(CCC2CCCCC2)CCSC(=O)C)=O)C)=O)C	10
+C1CCCCC1CCN2CCC3C2CCc4c(cccc34)O	5
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+C1CCCCC1CCNCc2cnc(-c3cc(C(N)=O)ccc3Cl)cc2	216
+C1CCCCC1CCNCc2cnc(-c3cc(ccc3Cl)C#N)cc2	119
+CC(C)(C)C(=O)Nc1cc([N+]([O-])=O)c(cc1)NCC2CCCCC2	60
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)-c3ccccc3)C(NCC4CCCCC4)=O	9
+C1CC(CCC1)CNC(c2ncccc2N)=O	81
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+C1CC(CCC1)CNc2c([N+]([O-])=O)cc(cc2)NC(=O)OC	60
+C1CC(CCC1)CNC(CCn2c3c(cc(cc3)C)c4CN(C)CCc24)=O	9
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+c1cc(ccc1Cl)C(Nc2scc(n2)CC(=O)N3CCN(CC3)C(=O)CNCC4CCCCC4)=O	1229
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+C1CC(CCC1)CN2c3cnc(C(=O)OC)c(O)c3C=C(C2=O)Br	3843
+C1CCCCC1CN2C(C(=O)OCC)CC(NC(c3c(O)c4c(cccc4)cc3)=O)C2	27
+C1CCC(C1)CN2C(C(OC)=O)CC(N)C2	6584
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+C1CCCCC1CN2C(CC(N)C2)C(=O)OC	18
+C1CCCCC1CN2CCCC(C(OCC)=O)C2=O	6585
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+C1CCCCC1Cc2cn(nn2)C3C4OCC(N)C4OC3	18
+C1CCCCC1Cc2cn(C3COC4C3OCC4NC(c5occc5)=O)nn2	1619
+C1CCCCC1Cc2cn(nn2)C3C4C(C(NC(c5ccccc5)=O)CO4)OC3	14
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+C1CCCCC1Cn2cc(c3c2c(ccc3)Cl)C(=O)N	393
+C1CCCCC1Cn2c3c(Cl)cccc3c(c2)C(NN)=O	1325
+C1CC(CCC1)Cn2cc(c3c2c(ccc3)Cl)-c4scc(n4)CCl	6587
+C1CC(CCC1)Cn2c3cc(c(F)cc3nc2-c4c(OCc5ccc(cc5)OCC(OC)=O)cc(Cl)cc4)F	22
+C1CCCCC1Cn2c3c(cccc3c(c2)C(=S)N)Cl	2547
+FC(F)(F)C(=O)c1c2c(c(Cl)ccc2)n(CC3CCCCC3)c1	531
+CC(C)(C)OC(N1CCN(CC1)c2nc(c(-c3ccccc3)c(c2)C(N)=O)-c4ccnc(NC5CCCCC5)c4)=O	182
+CC(C)(C)OC(N1CCN(CC1)c2nc(-c3cc(NC4CCCCC4)ncc3)c(-c5ccc(cc5)F)cc2)=O	70
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+CC(C)(C)OC(=O)NC(CN1C(C)(C)CN(C(=O)C1)c2c(C)cccc2)C(O)CC(C(NC3CCCCC3)=O)C	248
+CC(C)(C)[Si](C)(C)OCCCCCCNC1CCCCC1	132
+CC(C)C(C(=O)NC1CCCCC1)NC(CCCCCCCCCCC)=O	9
+C1CCCCC1NCC(C)C	110
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+C[Si](C)(C)CCOCn1ccc2c(c(Br)cnc12)NC3CCCCC3	2048
+C1CC(CCC1)NCCNc2cc(C)nc3n(c(nc23)C)-c4c(C)cc(cc4C)C	284
+C1CC(CCC1)Nc2ccc(C#N)cc2[N+](=O)[O-]	205
+C1CCCCC1NC(=O)Cn2c3CCN(Cc3c4cc(ccc24)Cl)C	271
+FC(F)(F)CCC(=O)NC1CCCCC1	9
+FC(F)(F)Oc1ccccc1-c2cc(c(n2CC3OCCC3)C)C(=O)NC4CCCCC4	56
+FC(F)(F)c1cc(c(NC2CCCCC2)cc1)[N+](=O)[O-]	205
+C1CCCCC1NC(Nc2c(S(=O)(=O)F)cccc2)=O	282
+O=S(=O)(NC1CCCCC1)c2c(Cl)ccc(Br)c2	71
+C1CC(CCC1)Nc2c3nc[nH]c3nc(Cl)n2	516
+C1CCCCC1Nc2ncc(cc2)[N+](=O)[O-]	70
+C1CCCCC1Nc2c3cnn(CC)c3ncc2C(OCC)=O	1594
+C1CCCCC1Nc2nc(Cl)cnc2	464
+C1CC(CCC1)NC(c2ccc(nc2Cl)Cl)=O	56
+c1cc(ccc1-c2cc3c(ncnc3NC4CCCCC4)cc2)F	40
+c1cc(ccc1CN2C(=O)C(=C(O)c3c2cccc3)C(NC4CCCCC4)=O)F	1112
+C1CCCCC1NC(C2=C(c3c(N(Cc4ccc(cc4)F)C2=O)ccc(C)c3)O)=O	1112
+c1cc(ccc1)-c2c(c(ccc2)NC3CCCCC3)C#N	60
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+C1CCCCC1NC2CCCc3c2[nH]c4ccc(cc34)C(NCc5ccccc5)=O	2049
+c1ccccc1COC(=O)c2cc(c(C#N)cc2)NC3CCCCC3	250
+C1CC(CCC1)N(C)C(CCNCc2cc(ccc2[N+](=O)[O-])C(=O)c3ccccc3)=O	42
+C1CCCCC1N(C(=O)CCN)C	3844
+C1CCCCC1N(C(n2cnc(-c3ccc[n+](c3)[O-])c2)=O)C	103
+C1CCCCC1N(c2ccc(B3OCC(CO3)(C)C)cc2[N+](=O)[O-])CC(C)C	6588
+C1CCCCC1N(S(=O)(=O)CCN2C(N)=Nc3c(cc(cc3)C(c4ccccc4)=O)C2)C	2637
+C1CCCCC1N(S(=O)(=O)CCNCc2c(ccc(C(c3ccccc3)=O)c2)N)C	0
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+C1CC(CCC1)N2N(C)C(C)=CC2=O	3845
+C1CCCCC1N2C=C(C(=O)N)C(c3cnc(nc23)NCCCn4ccnc4)=O	6589
+C1CCCCC1N2CCN(CC2)C(C=C(C)N)=O	6590
+C1CCCCC1N2C(=O)C(N)=C(N2C)C	3846
+C1CCCCC1NC(C2(C(=O)NCCC2)COc3cccc(N)c3C#N)=O	623
+c1ccccc1CN2c3ccc(Cl)cc3C(=C(C2=O)C#N)Cl	2050
+C1CCCCC1NC(=O)C2(COc3cccc(N)c3C(NO)=N)C(=O)NCCC2	181
+C1CCCCC1NC(=O)C2(C(=O)NCCC2)COc3cccc(c3C#N)F	57
+c1c(ccc2c1C(Cl)=C(C#N)C(=O)N2C)F	2050
+c1cc(ccc1F)CN2C(=O)C(=C(Cl)c3cc(C)ccc23)C#N	2050
+C1CCCCC1N(CC(C)C)c2ccc(Br)cc2[N+](=O)[O-]	34
+C1CC(CCC1)N(CC(C)O)C	113
+FC(F)(F)C(N(C1CCCCC1)Cc2cnc(cc2)Cl)=O	520
+C1CC(CCC1)Nc2c3c(n(CC)nc3)ncc2C=O	3765
+C1CCCCC1Nc2c3c(n(CC)nc3)ncc2C(=O)N(C)OC	1012
+C1CCCCC1Nc2c3cnn(CC)c3ncc2C(O)=O	6
+C1CC(CCC1)Nc2cncc(-n3c(C)cc(C)n3)n2	6591
+C1CC(CCC1)N(c2ccc(cn2)[N+]([O-])=O)C	1347
+C1CCCCC1Oc2ccc3c(ccc(CN4CCC(CC4)C(=O)OCC)n3)c2	419
+C1CC(CCC1)Oc2nc(CN3CCN(CC3)S(=O)(=O)c4ccc(cc4)OC)nc5ccccc25	6592
+CC(C)(C)OC(=O)N1CC(COc2c(OC3CCCCC3)cccc2)CCC1	419
+C1CCCCC1OC(C2CCC3C2(C)CC(NCCC(C)C)C4C5(CC(O)C(O)CC5CCC34)C)=O	2630
+C[Si](C)(C)CCOCn1cc(c2nc(cnc12)OC3CCCCC3)C(=O)NC(C(C)(C)C)C(N4CCC(CC4)C#N)=O	6593
+C1CC(CCC1)Oc2cccc(N)c2C#N	57
+C1CCCCC1Oc2cc(ccc2C=CC(=O)OCC)OCCOC	419
+O=S(=O)(C)Nc1c(OC2CCCCC2)ccc([N+]([O-])=O)c1	57
+C1CCCCC1Oc2c([N+](=O)[O-])cccc2	57
+C1CC(CCC1)OCc2cc(c(cc2Cl)Br)F	2638
+C1CCCCC1Oc2ccc(nc2)Cl	1346
+C1CC(CCC1)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	1117
+C1CCCCC1OCCSc2nn3c(cc(nc3n2)C)C	2425
+C1CC(CCC1)ON=C(C(=O)CCl)C(OCC)=O	969
+C1CC(CCC1)Oc2ccccc2N	0
+C1CC(CCC1)Oc2c(CCC(=O)OCC)ccc(c2)OCCOC	159
+C1CCCCC1Oc2ccc(CN)nc2	421
+FC(F)(F)C(N1CCc2ccc(c(NCc3ncc(cc3)OC4CCCCC4)c2CC1)Cl)=O	1627
+C1CCCCC1Oc2ccc(cc2)-c3cc(nnc3CCCC)Cl	218
+C1CCCCC1Oc2ccc(cc2)-c3c(CCCC)nnc(OCC4C(CCN(C4)C)O)c3	113
+CC(C)(C)OC(=O)N1CCC(OCOC)C(C1)COc2nnc(CCCC)c(-c3ccc(cc3)OC4CCCCC4)c2	485
+C1CCCCC1Oc2ccc(C#N)nc2	1958
+C1CCCCC1Oc2ccc3c(ccc(CN4CCC(CC4)C(=O)O)n3)c2	3
+O=S(=O)(c1c(C=O)cccc1)C2CCCCC2	720
+C1CC(CCC1)c2nc(C)cn2-c3c([N+]([O-])=O)ccc(F)c3	431
+C1CC(CCC1)c2n(CC)c3ccc(cc3c2)[N+]([O-])=O	557
+CC1(C)C(C)(C)OB(O1)c2cnc3[nH]c(cc3c2)C4CCCCC4	234
+C1CC(CCC1)c2c3ccc(cc3n(CCC(=O)OC)c2Br)C(=O)OC	167
+C1CC(CCC1)c2c(N=C=O)cccc2	6594
+C1CC(CCC1)c2c(-c3c(C)cnc(Nc4cc(ccc4)NCCN(CC)CC)n3)sc(SC)c2C#N	601
+C1CCCCC1c2c(c(sc2-c3c(cnc(n3)Nc4cc(ccc4)N)C)SC)C#N	0
+CC(C)(C)[Si](C)(C)Oc1c(cc(Br)cc1)C2CCCCC2	154
+c1cc(ccc1NCC(COc2c(C3CCCCC3)cccc2)O)N4C(NCC4)=O	843
+C1CCCCC1c2cc(c(cc2)C(CCC(O)=O)O)OC	74
+C1CC(CCC1)c2cc(c(cc2)CCCC(=O)O)OC	414
+c1cc(ccc1)C(C)(c2c(ccc(C3CCCCC3)c2)O)O	3847
+C1CCCCC1c2ccc3nc(c(n3c2)-c4nc(c(s4)C(O)=O)-c5ccccc5)C	6
+C1CCCCC1c2ccc3nc(C)c(-c4nc(-c5ccccc5)c(s4)C(N)=O)n3c2	1169
+C1CCCCC1c2nc(C)cn2-c3cc(-n4c(C5CCCCC5)nc(C)c4)c(cc3)N	0
+C1CC(CCC1)c2sc(c(C)n2)C(O)=O	6
+C1CCCCC1c2nc(cn2-c3ccc4nnc5c(nc(n5c4c3)C6CCCCC6)C)C	2051
+C1CCCCC1c2oc(c(C(O)=O)n2)C	1
+C1CC(CCC1)c2sc(N=C=O)nn2	6595
+C1CC(CCC1)c2sc(nn2)N3C(=O)N(C)NC3	2640
+C1CCCCC1n2c(CCCOc3ccc4c(ccc(O)n4)c3)nnn2	72
+C1CCCCC1n2ncc(c2-c3ccc(cc3)F)-c4scc(CC(O)=O)n4	3
+C1CCCCCCCCCC(CCCC1)=C	6596
+C1CC(CCCC1)(Cn2c(C#N)ccc2C)O	6597
+CC(C)(C)OC(C=Cc1ccc(cc1)C(c2ccc(cc2)O)=C3CCCCCC3)=O	233
+c1cc(ccc1C(c2ccc(cc2)-c3cocc3)=C4CCCCCC4)O	1628
+C1CC(CCCC1)CO	647
+c1ccccc1COc2c(cc(cc2)Nc3nc(Cl)nc(n3)NC4CCCCCC4)Cl	387
+C1CCCCCC=2C(=O)N3C(C=C(C(=O)Nc4sc(C)cn4)C=C3)=NC1=2	6598
+C1CCCCCC=2C(=O)N3C(C=C(C(O)=O)C=C3)=NC1=2	127
+C1CCCCCCC1NC(=O)N2CCN(CC2)c3ccnc4cc(Cl)ccc34	2041
+C1CCCCCCCCCCC1C(C)COCC	3848
+c1ccccc1CCCC2CCCCCCCCCCC2	460
+C1CCC(CCCCCCCCCCC1)CO	3559
+C1CCCN(CC1)CCC2CCCc3n(ncc23)-c4ccccc4	15
+O=S(=O)(C)OCCCCc1ccc(cc1)OCCCN2CCCCCC2	7
+C1CCCCCN1CCN2CCC(CC2)NC(c3[nH]c4cccc(OCc5cocc5)c4c3)=O	81
+C1CCCCN1C(CN2C=3N(C=C2)C(C(OCc4ccccc4)=C(N=3)C(=O)O)=O)=O	127
+c1cc(ccc1-c2occ(CCN3CCCCC3)n2)OCCN4CCCC4C	15
+C1CCCCN1C(C2CCc3c2nc(s3)-c4ccc(cc4)OCCCN5CCCC5C)=O	53
+C1CCCCN1C(CN2C=CN3C(=O)C(=C(c4ncc(o4)Cc5ccc(cc5)F)N=C23)O)=O	3849
+c1cc(ccc1CC(CNC(C2=C(OCc3ccccc3)C(N4C=CN(CC(=O)N5CCCCC5)C4=N2)=O)=O)=O)F	6599
+C1CCCCN1C(=O)CN2C=3N(C(=O)C(OCc4ccccc4)=C(N=3)C(=O)OC)C=C2	3850
+C1CCCCN1C2Cc3cc(ccc3C2)O	5
+C1CCCCN1C2Cc3cc(Oc4ncc(cc4)C(=O)NC)ccc3C2	136
+c1cc(ccc1OC(C)(C)CN2CCCCC2)[N+]([O-])=O	57
+C1CCCCN1CCC=O	378
+c1ccccc1CN(CCC(C#N)(c2c(cccc2)Cl)CCN3CCCCC3)C(C)C	3851
+C1CCCCN1CCC(N)C#N	2519
+C1CCCCN1CCCCCn2c3c(nc2OC)c(nc(n3)OC(C)CC)N	3852
+C1CN(CCC1)CCCOc2c(cc(Br)cc2)F	72
+c1cc(ccc1Cl)CNC(=O)C2=CN(CCCN3CCCCC3)c4c(cc(C#CCO)cc4)C2=O	6600
+c1cc(ccc1OC)Nc2nc3c(cc(C(OCC)=O)nc3)n2CCCN4CCCCC4	3581
+C1CN(CCC1)CCCN2C=CC(=CC2=O)c3cc4nccn4nc3	6601
+C1CCCCN1CCCNC(=S)NNC(c2c(OCC)cc(cc2)[N+]([O-])=O)=O	3853
+C1CN(CCC1)CCCNC(NNC(c2ccc(cc2)NC(=O)c3c(cccc3)F)=O)=S	3853
+C1CCCCN1CCCNc2nnc(-c3c(cc([N+](=O)[O-])cc3)OCC)o2	6602
+c1cnccc1NC(c2cc(Nc3cc(C(NCCCN4CCCCC4)=O)ccc3)ccc2)=O	230
+C1CN(CCC1)CCCNc2c(ccc(n2)NCCCC)[N+](=O)[O-]	70
+c1cc(ccc1OC)Nc2nc3ccc(nc3n2CCCN4CCCCC4)Br	6603
+C1CCCCN1CCCNc2c(ccc(Br)n2)N	13
+C1CN(CCC1)CCCOc2ccc3nc(C(=O)OCC)ccc3c2	126
+C1CCCCN1CCCOc2cc(C#Cc3ccc(cc3)Cl)cc(Sc4ccc(OCC(OCC)=O)c(Cl)c4)c2	126
+C1CCCCN1CCCOc2cc(C#Cc3ccc(cc3)Cl)cc(Sc4cc(Cl)c(OCC(=O)O)cc4)c2	3
+C1CN(CCC1)CCNC(=O)c2ccc(cc2NCC)Cl	14
+FC(F)(F)c1cccc(Oc2cc(ccc2)CNCCN3CCCCC3)c1	42
+C1CN(CCC1)CCNC(c2ccc(Cl)nc2NCC)=O	56
+c1ccccc1-c2ccc(cc2)C(=O)Nc3ccsc3C(NCCN4CCCCC4)=O	227
+C1CN(CCN1c2c(cc(cc2F)OCCN3CCCCC3)F)C(C)=O	20
+C1CCCCN1CCOc2cc(N)c([N+](=O)[O-])cc2F	57
+c1cc(ccc1C)S(=O)(=O)NCCc2c(OCCN3CCCCC3)cccc2	20
+C1CN(CCC1)CCOc2ccccc2CCNS(=O)(=O)c3ccc(cc3)Oc4ccc(cc4)F	126
+C1CN(CCC1)CCOCC(=O)CC(=O)OCCCc2ccccc2	3303
+C1CN(CCC1)CCOc2ccc(cc2F)C(Nc3cc(ccc3-c4nc5ccccc5s4)OC)=O	6604
+C1CCCCN1CCOc2c3ccc(nc3c(cc2)Cl)Cl	532
+C1CCCCN1CCOc2cc(N)c(N)cc2F	0
+c1cc(ccc1)C=CC(=O)Nc2cc(OCCN3CCCCC3)ccc2Cl	324
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)CN6CC(F)(F)CC6	48
+C1CCCCN1N2C(=O)c3c(CC2)n(c(c3C)-c4ccc(cc4)C=CCCC)-c5ccc(Cl)cc5Cl	2053
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)CCCCC	374
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)C=O	1072
+FC(F)(F)CCCS(=O)(=O)Oc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C	444
+O=S(=O)(CC)Oc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C	444
+c1cc(ccc1OS(=O)(=O)c2cnccc2)-n3c(c(nc3-c4c(Cl)cc(cc4)Cl)C(NN5CCCCC5)=O)C	3854
+CC(C)(C)OC(COCc1c(Cl)ccc(c1)S(=O)(=O)N2CCCCC2)=O	337
+C1CN(CCC1)S(=O)(=O)c2ccc(c(COCC(=O)N3CCCC3)c2)Cl	10
+C1CN(CCC1)c2cc(-n3ccnc3)ccc2NC(c4oc(C#N)cc4)=O	1129
+FC(F)(F)c1cccc(c1)COc2ncnc(-c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c2	145
+FC(F)(F)c1cc(ccc1)Nc2cc(ncn2)-c3cc(N4CCCCC4)ccc3[N+](=O)[O-]	73
+FC(F)(F)c1cccc(Oc2cc(ncn2)-c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c1	185
+FC(F)(F)c1cccc(c1)CNc2ncnc(c2)-c3cc(N4CCCCC4)ccc3[N+](=O)[O-]	40
+C1CCCCN1c2c(N)ccc(c2)-n3ccnc3	0
+CC1(C)OB(OC1(C)C)c2cc(N3CCCCC3)ccc2[N+]([O-])=O	17
+C1CCCCN1c2nc(nc(C(O)=O)c2)-c3ccc(cc3)-c4ccccc4	1
+C1CCCCN1c2cc3c(nc(c(C(=O)N4CCCCC4)c3-c5ccc(cc5)F)C)cc2	211
+c1cc(ccc1F)-c2c3c(ccc(c3)N4CCCCC4)nc(C)c2C(=O)OC	1170
+C1CCCCN1c2ccc(cc2)C3(OC)OC3(C)C	2636
+CC(C)(C)n1nc(cc1-c2ccc(cc2)N3CCCCC3)C(OCC)=O	2054
+c1cc(ccc1C(C(C)(C)N2CCOCC2)=O)N3CCCCC3	1860
+C1CCCCN1c2ccc3c(c2)c(c(c(C)n3)C(Oc4ccccn4)C)-c5ccc(cc5)F	2055
+c1cc(ccc1OCc2c(nc3ccc(cc3c2-c4ccc(cc4)F)N5CCCCC5)C)Cl	20
+C1CN(CCC1)c2nc(cs2)C=O	1348
+C1CN(CCC1)c2nc(-c3ccc(cc3C)C)c(C(CCC)C(=O)OC)c(C)n2	198
+C1CN(CCC1)c2nc(c(c(-c3ccc(cc3)C)n2)C(CCC)C(OC)=O)Cl	198
+C1CCCCN1c2nc(-c3ccc(cc3)C)c(c(CC)n2)C(C(O)=O)CCC	4
+C1CCCCN1c2nc(c(c(n2)CC)C(C(OC)=O)CCC)O	27
+C1CCCCN1c2nc(c(C(CCC)C(=O)OC)c(n2)CC)-c3ccc(cc3)C	198
+C1CCCCN1c2nc(Cl)c(c(C)n2)C(CCC)C(OC)=O	64
+C1CCCCN1c2nc(c(c(Cl)n2)C(C(=O)OC)CCC)CC	64
+C1CCCCN1c2nc(CO)cs2	1171
+C1CCCCCN1C(OC)=N	2641
+C1CCCN(CC1)C(c2csc(c2)C=3CCN(CC=3)C(C)=O)=O	2046
+C1CCCN1CCCN2CCSc3cc([N+](=O)[O-])ccc23	53
+C1CCCN1C2CCc3ccc(cc3CC2)[N+]([O-])=O	85
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)C1)CC#CCN2CCCC2	1469
+c1cc(ccc1)OC(Nc2cc3n(cc(c3cc2)CN4CCCC4)Cc5c(cccc5Cl)Cl)=O	1015
+C1CCN(C1)CC(C(=O)c2cc(no2)-c3ccc(cc3)OC)C	6605
+C1CCCN1C(=O)C(C)(C)CCl	58
+CC(C)(C(N1CCCC1)=O)Sc2cc3sc(N)nc3cc2	10
+CC(C)(C)OC(N1CC(CC(C(=O)N2CCCC2)C1)N(C(c3n(c4c(cccc4)n3)CCCCOC)=O)CC(C)C)=O	10
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(Oc3ccc(N4CCCC4)cn3)ccc2	244
+CC(C)(C)OC(N1CCCC(C(=O)N2CCCC2)C1)=O	10
+CC(C)(C)OC(=O)Nc1nc(CN2CCCC2)ccc1	2019
+CC(C)(C)OC(N1CCN(CC1)C(C)(C)C(=O)N2CCCC2)=O	1857
+CC(C)(C)OC(N1Cc2cc(sc2CC1)CN3CCCC3)=O	6606
+CC(C)(C)OC(N1Cc2c(N3CCCC3)cnn2CC1)=O	6607
+CC(C)(C)OC(=O)NC(C(O)C)C(N1CCCC1)=O	10
+CC(C)(C)OC(Nc1cc(c(cc1[N+]([O-])=O)Cl)N2CCCC2)=O	202
+CC(C)(C)ON=C1C=C(Oc2ccc(OCCN3CCCC3)cc12)c4ncn5c(c4)ccc5	53
+CC(C)(C)[Si](C)(C)Oc1cccc(CN2CCCC2)c1F	48
+C1CCN(C1)C(C)(C)C#N	735
+CC1(C)CCCC(C)(C)N1c2nc(cc(Cl)n2)N3CCCC3	54
+CC1(C)OB(OC1(C)C)c2ccc(c(C#N)c2)N3CCCC3	34
+C1CCN(C1)CC(OCC)=O	303
+CN(C)c1ccnc(c1)CN(C)Cc2nc(cc(c2)O)-c3cc(ccn3)N4CCCC4	264
+C1CCN(C1)C(CC2C(=O)c3c(cc(OC)cc3)C2)=O	10
+C1CCN(C1)c2nc(OC)cc(n2)C(=O)OC	117
+C1CCCN1Cc2sc(cc2)-c3ccc4c(c3)-c5c(c(n(n5)C6CCCCO6)C)C(=O)N4CC	509
+c12c(cccc1)C(=O)N(C2=O)CCCCSc3cc(cc([N+](=O)[O-])c3)NC(N4CCCC4)=O	6608
+C1CCCN1c2cc(N)c(cc2)[N+]([O-])=O	202
+Clc1cc(cc(Cl)c1C(C(N2CCCC2)=O)c3ccc(cc3)Cl)N4N=CC(NC4=O)=O	58
+C1CCCN1c2cc(ncc2)-c3cc(cc(CN(C)Cc4ncccc4)n3)O	264
+C1CCCN1CC(CCCCC)=Cc2c(Cl)cc(Cl)cc2	3855
+C1CCN(C1)c2nc3c(s2)C=Cc4cc(Cl)ccc4C3C5=CN(C(=O)NC5=O)C	2643
+C1CCCN1c2cc(nc(n2)Cl)Cl	54
+C1CCN(C1)c2cc(Cl)nnc2Cl	3760
+FC(F)(F)c1cc(cc(c1)NC(CN2CCCC2)=O)C(Nc3cccc(c3)-c4n5c(cc(n5)-c6ccncc6)ncc4)=O	224
+FC(F)(F)c1ccc(c(CN(CC)C(CN2CCCC2)=O)c1)-c3cc(ccc3OC)CC(OCC)=O	224
+FC(F)(F)c1nc(c(C=CC(=O)NCc2cc(F)c(cc2)NS(=O)(=O)C)cc1)N3CCCC3	43
+FC(F)(F)c1nc(C(=O)N2CCCC2)c3CNCCn13	777
+FC(F)(F)c1nn(-c2ccc(cc2)CC(=O)N3CCCC3)c4c1CCCC4	10
+C1CCCN1C2(CCC3(CC2)OCCO3)C#N	735
+C1CCCN1CCC#Cc2ccc(cc2)-c3cn4c(cc(C)cc4)n3	6609
+C1CCN(C1)CC2OCc3c(F)cc(S(=O)(=O)C)cc3O2	28
+O=S(=O)(CCCN1CCCC1)N2CCC(CC2)c3[nH]nc4c(cc(Br)cc34)C(=O)N	53
+C1CCN(C1)CC2CCN(CC2)C(CC3C(=O)NC=CN3S(=O)(=O)c4cc(C)c(Cl)cc4C)=O	123
+C1CCN(C1)c2c(c3c(cc(nc3s2)C)NS(=O)(=O)c4cc(ccc4)Cl)-c5cccc(OC)c5	1801
+C1CCN(C1)C2CCN(c3ccc(Br)cn3)C2	1499
+C1CCCN1c2ccc(S(=O)(=O)C)cc2C(=O)O	202
+C1CCCN1S(=O)(=O)c2cc(cc(Br)c2F)C(O)=O	92
+O=S1(=O)Nc2c3ncccc3c(N4CCCC4)cc2-c5ccccc15	1578
+C1CCN(C1)C(C(C)O)=O	2642
+C1CCN(C1)C(=O)c2ccc3c(c2)Oc4c(cccc4)C3=O	115
+C1CCCN1Cc2cc3ccn(CC#C)c3cc2	48
+C1CCCN1c2c(cnc(Cl)n2)I	54
+C1CCN(C1)c2c(c(C(C)=O)cc(c2C#N)Cl)OCC	560
+C1CCCN1C(=O)c2ccc3c(CCC3)c2OC	30
+C1CCCN1C(c2c3c(n(C)c2)cc([N+](=O)[O-])cc3)=O	211
+C1CCCN1C(=O)Nc2cccc([N+]([O-])=O)c2	326
+C1CCCN1c2nc(Cl)cc(C)c2[N+]([O-])=O	43
+C1CCCN1CC(c2cc(Br)ccc2)=O	676
+C1CCCN1Cc2cc(ccn2)C(OC)=O	1309
+c12c(cccc1)C3(c4c(cccc4)C2C3)CN5CCC(CC5)(O)c6cccnc6N7CCCC7	361
+C1c2ccccc2CC1N3CCCC3	85
+C1CCN(C1)Cc2nc(O)c3c(cc(Br)s3)n2	894
+C1CCCN1CCN2CCc3cc(Br)ccc3C2=O	61
+Cc1cc(cc(C)c1OCCCN2CCCC2)-c3nc(O)c4c(OC)cc(OC)cc4n3	28
+Clc1cc(cc(Cl)n1)N2CCCC2	264
+C1CCN(C1)Cc2cc(-c3nn4c(c(Nc5nc(N6C(CCC6)C)ccc5)c3)ncc4)ccc2	48
+C1CCN(C1)Cc2ccc3cc(ccc3n2)Br	596
+C1CCCN1c2nc(c3ccc(cc3n2)OC)O	549
+C1CCN(C1)CCCOc2c(cc(Br)cc2)F	53
+C1CCCN1c2nc(ccc2[N+]([O-])=O)Cl	43
+C1CCCN1C(Nc2cc(ncn2)Oc3ccc(cc3F)[N+]([O-])=O)=O	3856
+c1cc(ccc1)CCC2=CC(N(CCc3ccc(cc3)CN4CCCC4)C=C2)=O	131
+c1cc(ccc1)COc2c(C)c(c(nc2C)N3CCCC3)C	323
+C1CCN(C1)c2c(Cc3ccccc3)c(Cl)nc(n2)SC	54
+c1cc(ccc1)N2N=C(CC(=O)N3CCCC3)c4c(n(c5ccccc45)C)C2=O	10
+c1cc(ccc1)N2N(C(=C(C(OC)=O)C2=O)CN3CCCC3)C	2644
+C1CCN(C1)c2ccc(cc2)-c3c(ncn3-c4ccc(cc4)S(=O)(=O)C)Cl	34
+c1cc(ccc1N2CCCC2)-c3ccccc3	79
+C1CCCN1C(=O)COc2ccc(cc2)Br	10
+C1CCN(C1)C(c2ccc(cc2)C3(SC(=NC(c4ccc(cc4)F)C)NC3=O)C)=O	115
+C1CCCN1c2ccc(cc2)C(=O)Cc3c(ccc(-c4sccc4)c3)OC	34
+C1CCN(C1)C(=O)c2ccc(cc2)I	30
+C1CCN(C1)Cc2ccc(cc2)C3(CC3)C#N	48
+C1CCCN1CCOc2ccc(cc2)CC3=C(C(Oc4c(c(ccc34)O)I)=O)c5c(Cl)cc(Cl)cc5	28
+C1CCN(C1)CCc2ccc(cc2)Br	236
+c1cc(ccc1COc2c(cc3N(C=C(C(=O)c3c2Cl)CN4CCCC4)CC)OCc5ccc(cc5)OC)OC	6610
+c1cc(ccc1[N+]([O-])=O)Cc2nc(C)c(CC(OC)=O)c(n2)N3CCCC3	54
+C1CCN(C1)Cc2ccc(cc2)NC(=O)c3ccc(Cc4cc(cc5c4oc(C(C)C)c5)Cl)o3	48
+c1cc(ccc1Nc2ncnc(c2N)N3CCCC3)Cl	54
+C1CCN(C1)C(=O)c2ccc(cc2)Nc3nc(-c4cn[nH]c4-c5cc(ccc5)OCc6ccccc6)ccn3	30
+C1CCCN1C(=O)Cc2nc(oc2)-c3ccc(cc3)OCCCCl	10
+C1CCN(C1)CCCOc2ccc(cc2)Cc3c(NCCCCC)nc(N)nc3C	53
+c1cc(ccc1OCc2ccccn2)-c3nc(CCN4CCCC4)c(C)o3	123
+O=S(=O)(c1cc(nc(c1)N2CCCC2)Br)c3ccc(cc3)N	323
+C1CCCN1Cc2ccc(Br)cn2	315
+C1CCCN1c2ncc(cc2)Br	43
+C1CCN(C1)C2C(Cc3cc(c(cc3)Cl)Cl)c4cc(OC)ccc4CC2	85
+C1CCN(C1)c2nc3n(c(C)c(c3cn2)C(=O)NCc4c(cc(nc4O)C)C)C(C)c5ccccc5	117
+C1CCCN1CCCCc2c3c(n(c2C)COCc4ccccc4)c(nc(n3)CCCC)N	61
+c1ccccc1CON2C(=O)N(c3c(F)cc(cc3)F)c4c(cc(c(c4)N5CCCC5)F)C2=O	34
+C1CCN(C1)c2c(cc3c(N(C(N(OCc4ccccc4)C3=O)=O)CCF)c2)F	34
+c1ccccc1CON2C(=O)N(c3ccc(cc3F)F)c4c(cc(F)c(n4)N5CCCC5)C2=O	43
+C1CCN(C1)c2c3cc(c(cc3nc(c2)C)OCc4ccccc4)Br	264
+c1ccccc1COc2ccc3c(nc(C)cc3N4CCCC4)c2	264
+C1CCN(C1)CC=Cc2cc3c(c(Nc4cc(c(Sc5n(C)ccn5)cc4)Cl)c(cn3)C#N)cc2	3857
+C1CCN(C1)c2nn3c(cc(Br)cc3)n2	3858
+C1CCN(C1)c2ccc(cc2-c3nc(O)c4nccnc4n3)Br	34
+C1CCN(C1)c2nncc(c2)O	212
+C1CCCN1C(=O)C(C(O)C)NC(CN2CC3(CCCN3)C2=O)=O	679
+C1CCN(C1)CC(C)(C)CCl	15
+C1CCCN1C(=O)C(C(O)C)NC(CN2C(=O)C3(C2)CCCN3C(OCc4ccccc4)=O)=O	207
+c1cc(ccc1-c2cnc(nc2)N)OCC(N3CCCC3)=O	1629
+C1CCCN1C(=O)Cc2ccc(c(OC)c2)N	0
+C1CCN(C1)CCc2cc(c(cc2)N)OC	15
+C1CCCN1C(=O)Cc2nc(oc2)-c3ccc(cc3)OCCCN4CCCC4C	53
+C1CCN(C1)CCc2coc(-c3ccc(cc3)OCCCN4CCCC4C)n2	15
+C1CCCN1C(=O)Nc2ccc(cn2)N	13
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnc(cc2)NC(N3CCCC3)=O)F)CCC	660
+C1CCCN1C(Nc2cc(N)ccc2)=O	0
+C1CCN(C1)C(c2cscc2)C(=O)Nc3cc4c([nH]nc4I)cc3	33
+C1CCCN1C(C2CCCN(c3ccc4[nH]c(C5(CC5)c6cccnc6)nc4n3)C2)=O	3859
+C1CCCN1C(C2CCCN(c3ccc4c(n3)[nH]c(C(C)(C)n5ncc(Cl)c5)n4)C2)=O	3725
+FC(F)(F)c1nc(ccc1)-c2nc3ccc(N4CC(CCC4)C(N5CCCC5)=O)nc3[nH]2	3584
+C1CCCN1C(C2CN(c3ccc([N+](=O)[O-])c(n3)N)CCC2)=O	43
+C1CCCN1C(C2CCCN(C2)c3ccc(c(n3)N)N)=O	13
+C1CCCN1CCC2C(c3c(cc(cc3)OC)C2)O	15
+C1CCCN1CCc2cc(N)n(CC)n2	15
+C1CCN(C1)c2ccc(cc2C#N)-c3ccnc(n3)Nc4cc(NC(=O)N5CCCC5)ccc4	55
+c1ccccc1N2N(C(=C(C(=O)Nc3ccc(Oc4ncnc(NC(=O)N5CCCC5)c4)c(F)c3)C2=O)C)CC(C)(C)O	1349
+C1CCCN1C(Nc2cc(ncn2)Oc3c(cc(N)cc3)F)=O	0
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)-n3cc(C(N4CCCC4)=O)cn3	568
+C1CC2(OCCO2)CCC1(Cc3ccccc3)N4CCCC4	6611
+CC(C)(C)OC(=O)NCCOc1ccc2c(c1)C(C(N3CCCC3)CC2)Cc4cc(c(cc4)Cl)Cl	8
+C1CCCN1C2CCc3cc(N)ccc3CC2	0
+C1CCCN1C2Cc3c(ccc(Oc4ncc(nc4)C(=O)O)c3)C2	1
+C1CCCN1C2Cc3c(ccc(c3)Oc4cnc(cn4)C(NC)=O)C2	312
+C1CCCN1C2Cc3c(ccc(Oc4ncc(C(OC)=O)nc4)c3)C2	842
+C1CCCN1CC(OC(=O)C)COc2cc3ncnc(O)c3cc2OC	152
+C1CCCN1CC(OC(=O)C)COc2cc3ncnc(Cl)c3cc2OC	569
+C1CCN(C1)CC(NC)c2cccc(Br)c2	1607
+C1CCCN1CCC2C(=O)c3ccc(OC)cc3C2	155
+C1CCCN1CCCN2c3c(SCC2)cc(cc3)N	0
+C1CCCN1CCCN2CCSc3c2ccc(c3)NC(=N)c4sccc4	1139
+C1CCCN1CCN2C(c3ccc(-c4c(F)cc(cc4)C(OC)=O)cc3CC2)=O	11
+C1CCN(C1)CCN(C)CCSC2CCC3(C)C(CCC4C5(CCC(c6ccoc6)C5(CCC34)C)O)C2	236
+O=S(=O)(c1ccc2NC(=O)C(c2c1)=Cc3c(C)c(C(=O)NCCN4CCCC4)c(C)[nH]3)Nc5cnccc5	292
+c1ccccc1-c2cc3C(=Cc4c(C)c(C(=O)NCCN5CCCC5)c(C)[nH]4)C(=O)Nc3cc2	292
+CC1(C)C(C)(C)OB(O1)c2cc(cc(c2)F)NCCN3CCCC3	17
+c1c(C)nc(cc1-c2nc(c3c(OC)cc(cc3n2)OCCN4CCCC4)O)C	724
+C1CCN(C1)CCOc2cc3cc([N+](=O)[O-])cnc3cc2	126
+C1CCN(C1)CCOc2nc(nc(Cl)c2)-c3cnc4n3cc(F)cc4	145
+C1CCCN1CCSc2cccc(c2)Nc3nnc4c(c(cc(c4)-c5c(ccc(OC)c5)Cl)C)n3	490
+C1CCCN1CCSc2cccc(c2)Nc3nnc4c(c(cc(c4)-c5c(Cl)ccc(O)c5)C)n3	5
+C1CCCN1CCc2c3c([nH]c2)ccc(c3)NC(=N)c4sccc4	1139
+C1CCCN1CCc2cc(C=O)[nH]c2	178
+C1CCCN1CCc2c[nH]c(CO)c2	194
+C1CCCN1CCc2c3c([nH]c2)ccc(N)c3	3860
+C1CCN(C1)CCc2cc(n(CC)n2)Nc3cc(Nc4c(cccc4)C(=O)NC)c(Cl)cn3	346
+C1CCCN1CCn2cc(-c3cc4nccc(Oc5ccc(N)cc5F)c4s3)nn2	0
+C1CCN(C1)CC2NCCC(C(=O)OC)C2	3861
+C1CCCN1Cc2cc3ccn(CC#Cc4ncc(Br)cc4)c3cc2	769
+C1CCN(C1)Cc2ccc3c(ccn3CC#Cc4ncc(cc4)-c5ccc(cc5)Cl)c2	2056
+c1cc(ccc1)-c2nc(C(=O)Nc3ccccc3-c4sc5ncc(cc5n4)CN6CCCC6)sc2	6612
+C1CCCN1Cc2cc3c(sc(-c4c(NC(c5c(C)oc(-c6ccccc6)n5)=O)cccc4)n3)nc2	3862
+FC(F)(F)Sc1ccc(cc1)N2C(=O)N(Cc3ccnc(Nc4cnc(CN5CCCC5)cc4)c3)C(C)(C)C2=O	2645
+C1CCCN1Cc2cc3nc(-c4c(cccc4)N)sc3nc2	0
+C1CCCN1Cc2sc(cc2)-c3ccc4c(c3)-c5n[nH]c(c5C(N4CC)=O)C	747
+O=S(=O)(N1CCCC1)Nc2c(c(C(c3c4c(ncc(F)c4I)[nH]c3)=O)c(cc2)F)F	1630
+C1CCCN1c2c(c(nc(n2)Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)C)CC(O)=O	4
+C1CCN(C1)c2cccc3c(cccc23)O	5
+C1CCCN1c2cc(nc3cc(OCC(OCC)=O)ccc23)C	52
+c1cc(ccc1C)S(=O)(=O)OCCOc2ccc3c(nc(C)cc3N4CCCC4)c2	36
+c1ccccc1C(=O)Nc2c([N+](=O)[O-])ccc(N3CCCC3)c2	50
+C1CCCN1c2ccc(N)c(c2)[N+](=O)[O-]	106
+C1CCCN1c2cc(C)nc3cc(OCCO)ccc23	44
+C1CCN(C1)c2cc(SC)c(cc2)C#N	972
+CC(C)(C)OC(Nc1ccc(N2CCCC2)cc1[N+]([O-])=O)=O	150
+O=S(=O)(NCC1CC1)c2ccc(N3CCCC3)c(c2)C(O)=O	6613
+C1CCN(C1)c2cc(C=C3NC(NC3=O)=O)c([N+]([O-])=O)cc2	3864
+C1CCCN1c2cc([N+](=O)[O-])c(NC(C)=O)cc2	77
+C[Si](C)(C)C#Cc1nc(N2CCCC2)ccc1	961
+C1CCCN1c2ccccc2CC(N3CC4C(C3)CC(CC4(O)c5ccccc5F)COS(=O)(=O)c6ccc(cc6)C)=O	36
+FC(F)(F)c1nc2n(c1C)nc(C#Cc3nn(C)c(N4CCCC4)n3)cc2	2353
+C1CCN(C1)c2nc(N3CCc4ncccc4C3)cc(C)c2[N+](=O)[O-]	43
+CCN(CC)c1nc(cc(NCCN)n1)N2CCCC2	40
+C1CCN(C1)c2nc(N3CCCC3)c4c(n(CCO)c5ccccc45)n2	6614
+C1CCCN1c2nc3c(c(Cl)n2)ccc(OC)c3	64
+C1CCCN1c2nc(ccc2[N+]([O-])=O)NCc3ccc4OCOc4c3	70
+C1CCCN1c2nc(ccc2[N+]([O-])=O)NCc3ccc(cc3)F	70
+c1cc(ccc1CNc2ccc(N)c(n2)N3CCCC3)F	13
+CC(C)(C)CC(Nc1c(N2CCCC2)nc(cc1)NCc3ccc4OCOc4c3)=O	3865
+C1CCN(C1)c2ncc(-c3cc(ccc3)NC(Nc4ccc(cc4)Cl)=O)cc2	89
+C1CN(CCO1)C(c2c(n(C)nc2)C(=O)Nc3cc4n(nc(N5CCCC5)n4)cc3)=O	1020
+C1CCCN1c2nn3c(cc(cc3)NC(=O)c4c(cnn4C)C(=O)O)n2	6
+CC(C)(C)OC(N1CCC(c2cc(cs2)C(N3CCCCCC3)=O)=CC1)=O	3866
+C1CN(CCCC1)Cc2cc(cs2)-c3cc4c(c(c3)C(=O)N)[nH]cc4C5CC(C)(C)S(=O)(=O)CC5	509
+C1CCCN(CC1)C#N	739
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3CCCCCC3	28
+C1CCCCCN1C(=O)CC2CCCc3n(ncc23)-c4ccccc4	10
+c1cc(ccc1)-c2nc(C)c(C(CCC)C(=O)OC)c(n2)N3CCCCCC3	54
+c1cc(ccc1)-n2c3c(cccc3)c(C=O)c2N4CCCCCC4	2646
+c1cc(ccc1)COC(=O)N2CCCCC(N)C2	613
+n1c(N2CCCCNCC2)oc3c1cc(C)cc3C	2647
+FC(F)(F)Oc1ccc(cc1)-c2n(CC3OCCCC3)c(C)c(C(NN4CCCCC4)=O)n2	541
+C1CCCOC1CCO	237
+O=S(=O)(C)OCCC1CCCCO1	7
+C1CCCOC1CCN2c3c(c(nc(n3)NCCCC)N)NC2=O	1604
+c1cc(ccc1-c2n3c(ccn3)nc4CCCCCc24)OCc5ccccc5	2057
+c12ccccc1CCCC=C2C	252
+C(OC(=O)Cn1ncc(-c2cccc3N(C(=O)CCCO)CCCc23)c1)C	320
+FC(F)(F)c1nc(nc(C2=NOC(N2C(N3CCCC3)=O)=O)c1)C(C)C	6615
+FC(F)(F)c1nn(c2CCOCc12)-c3ccc(cc3)C(=O)N4CCCC4	568
+C1CCN(C1)Cc2ccc(cc2)Nc3nc(-c4cn[nH]c4-c5cc(ccc5)OCc6ccccc6)ccn3	162
+CC(C)(C)[Si](C)(C)OC(C(N1CCCC1)=O)C	1952
+CC(C)(C(c1ccccc1)N)N2CCCC2	3867
+C1CCCN1C(CC2C(O)c3c(cc(cc3)OC)C2)=O	74
+c1ccccc1-c2c(c3c(nn(CC(N4CCCC4)=O)c3nn2)I)Cl	3456
+C1COCCC1N(C)c2ccc(cc2)-c3n[nH]c4c3cc(cc4)NC(=O)C(c5cscc5)N6CCCC6	1016
+c1cc(ccc1C(CC2CSCCC2=O)=O)Cl	6616
+C1CCCN1C2CCc3ccc(cc3C2Cc4cc(c(cc4)Cl)Cl)O	5
+C1CCN(C1)C2CCCC3C2N(CCN3Cc4cnc[nH]4)C(Cc5ccc(c(c5)Cl)Cl)=O	879
+C1CCN(C1)C2CCN(c3ccc(cn3)N4C(=O)C=C(OCc5ccc(cn5)Cl)C=C4)C2	3868
+C1CCCN1C2Cc3cc(N)ccc3C2	0
+C1CCN(C1)CC#Cc2cc3-c4nn(C5CCCCO5)c(c4C(=O)N(c3cc2)CC)C	121
+C1CCN(C1)CC#Cc2ccc3c(-c4c(c(C)n[nH]4)C(=O)N3CC)c2	747
+C1CCCN1CCCc2ccc3N(CC)C(=O)c4c(C)[nH]nc4-c3c2	213
+C1CCN(C1)CC(N(C(=O)CN(C)c2ccc(c(c2)Cl)Cl)C)c3cccc(Br)c3	10
+C1CCN(C1)CC(OCCN(C)C)=O	6617
+C1CCN(C1)CCCN2c3nc(ccc3C(N(c4ccccc24)C)=O)C	6618
+c1cc(ccc1OCCCN2CCCC2)-n3c(cc(n3)CC)CC	72
+c1cc(ccc1OCCCN2CCCC2)-n3c4ccccc4cc3CCOC	72
+C1CCCN1CCCNC(=O)c2c(c3c(C4c5ccccc5NC4=O)ncnn3c2)C	56
+OB(O)c1ccc(OCCCN2CCCC2)c(F)c1	422
+C1CCN(C1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4c(cc(cc4)[N+]([O-])=O)F	242
+C1CCN(C1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4c(cc(cc4)N)F	0
+C1CCN(C1)CCCOc2cc3c(cc2OC)c(ccn3)Cl	120
+C1CCN(C1)CCCOc2ccc(c(OCCF)c2)N3C(c4cc(C(=O)OC)ccc4N=C3C)=O	3870
+C1CCN(C1)CCCOc2ccc(c(OCCF)c2)N3C(=O)c4cc(C(OCC)=O)ccc4N=C3C	807
+C1CN(CCN1CC2(CCOCC2)c3ccc(cc3)OCCCN4CCCC4)C	61
+O=S(=O)(C1C(C2(CCOCC2)c3ccc(cc3)OCCCN4CCCC4)OC=N1)c5ccc(cc5)C	6619
+c1cc(ccc1C2(CCOCC2)c3cnco3)OCCCN4CCCC4	6620
+CC(C)(C)OC(N1CCC(CC1)COCCN2CCCC2)=O	649
+C1CCCN1CCn2ncc3c2ccc(N4C=Cc5oc(-c6cccc(Cl)c6)cc5C4=O)c3	2058
+C1CCN(C1)CCOc2c(cc([N+](=O)[O-])cc2)Cl	72
+C1CCCN1CCSc2cccc(Br)c2	1107
+C1CCCN1CCNc2cc(F)cc(Br)c2	1350
+C1CCN(C1)CCOc2ccc(cc2)I	72
+C1CCN(C1)CCOc2ccc(cc2)[N+]([O-])=O	72
+C1CCN(C1)CCOc2cc(ccc2)C(OC)=O	72
+C1CCN(C1)CCNCc2cncc(-c3n(C)c4c(ccc(c4)Cl)c3C#N)c2	249
+C1COC2(O1)CCC(CC2)NCCN3CCCC3	87
+C1CCCN1CCNC(=O)c2c(c(C=C3c4cc(F)ccc4NC3=O)[nH]c2C)C	56
+c1cc(ccc1-c2cc([nH]c2)C(=O)Nc3ccc(OCCN4CCCC4)c(c3)Cl)Cl	187
+C1CCN(C1)CCOc2c(Cl)cc(N)cc2	0
+C1CC(CCN1c2c3c([nH]cc3C)ncn2)NC(=O)c4cc(OCCN5CCCC5)ccc4	14
+C1CCN(C1)CCOc2cc(C(=O)O)ccc2	1
+C1CCN(C1)CCOc2ccc3ncc(N)cc3c2	13
+C[Si](C)(C)C#Cc1ccc(cc1)OCCN2CCCC2	311
+c1cc(ccc1OCCN2CCCC2)N	0
+C1CCN(C1)CCOc2nc(OC)c(NS(=O)(=O)c3ccc(cc3)CCCF)cc2	322
+CC(C)(C)OC(N1CCCC(Nc2nc(nc(OCCN3CCCC3)c2)-c4cnc5n4cc(F)cc5)C1)=O	40
+C1CCN(C1)CCc2ccc(N)c(C(O)=O)c2	1
+C1CCN(C1)CCc2cc(c(N)cc2)C(OC)=O	0
+C1CCN(C1)CCc2ccc(N)c(c2)C(=O)N	169
+C1CCN(C1)CCc2ccc3nc(nc(c3c2)O)-c4cc(C)nc(C)c4	748
+C1CN(CCN1c2c(C)cc(N)cc2CN3CCCC3)C	0
+C1CCN(C1)Cc2ccc(cc2)C3(CC3)C(O)=O	459
+C1CCN(C1)CC2Nc3ccc(cc3CC2)Br	2648
+CC(C)(C)OC(n1cc(-c2sc3c(nc(nc3O)CN4CCCC4)c2)c(C)n1)=O	6621
+c1cccn1-c2c(cc(cc2OCC)CN3CCC(CC3)Nc4nc5cccc(S(=O)(=O)N6CCCC6)c5o4)OCC	48
+O=S(=O)(C)c1nc(c(c(N2CCCC2)n1)Cc3ccccc3)Cl	737
+C1CCN(C1)c2c(c(cc(c2OCC)C(O)C)Cl)C#N	74
+C1CCCN1c2c(OCC)c(cc(Cl)c2C#N)C(n3c4ncnc(N)c4c(C)n3)C	2649
+C1CCN(C1)c2c(c(C(C)Cl)cc(Cl)c2C#N)OCC	525
+C1CCN(C1)c2cc3N(C(N(C(=O)c3cc2F)O)=O)CCF	2650
+C1CCN(C1)c2cc(nc3cc(O)c(Br)cc23)C	16
+C1CCCN1c2cc3cc4c(NC(N4)=O)nc3cc2	6622
+C1CCN(C1)c2cc(Cl)c(C(Nc3c(C=NC(C)CO)cccc3)=O)cc2	853
+C1CCN(C1)c2ccc(c(c2)Cl)C(=O)Nc3c(cccc3)CNC(CO)C	1172
+C1CCN(C1)c2cc(NN)nnc2Cl	599
+C1CCN(C1)c2cc(nnc2Cl)NN=Cc3ccccc3	878
+C1CCN(C1)c2cc(c(C(N)=S)cc2)SC	6623
+C1CCN(C1)c2c(nc(C(=O)N3CCSCC3)cc2)OCC4CC4	147
+CC(C)(C)OC(N(Cc1ccccc1NC(=O)c2ccc(N3CCCC3)cc2Cl)C(CO)C)=O	23
+CC(C)(C)[Si](C)(C)OCC(C)NCc1ccccc1NC(=O)c2c(cc(cc2)N3CCCC3)Cl	19
+c1cc(ccc1-n2c(-c3ccc(c(c3)Cl)N4CCCC4)c(nc2)Cl)S(=O)(=O)C	196
+C1CCN(C1)c2ccc(Br)cc2-c3nc4nccnc4c(Nc5ccncc5C)n3	3871
+C1CCCN1c2ccccc2CC(N3CC4C(CC(CO)CC4(c5c(cccc5)F)O)C3)=O	10
+C1CN(CCC1=Cc2cc(Oc3ccc(N4CCCC4)cn3)ccc2)C(=O)Nc5nnccc5	437
+C1CCN(C1)c2nc(n(C)n2)C#Cc3cc(OC)c4nc(C)c(n4n3)C	3872
+c1cc(ccc1N)S(=O)(=O)c2cc(CC)nc(c2)N3CCCC3	2651
+O=S(=O)(C)OCCn1c2nc(nc(c2c3ccccc13)N4CCCC4)N5CCCC5	7
+C1CCN(C1)c2nc(N3CCCC3)nc(N4CCN(CC4)CCCOc5c6c(ccc5)[nH]c(c6)C#N)c2	331
+C1CCN(C1)c2nc(N3CCc4ncccc4C3)cc(C)c2NC(=O)Cc5cc(F)cc(c5)F	3865
+FC(F)(F)Oc1c(cc(cc1)C(NC(=O)c2nc(nc(OC)c2)N3CCCC3)COC)F	81
+C1CCN(C1)c2nc(OC)cc(C(O)=O)n2	1
+C1CCCN1c2nc(C#Cc3ccc4n(c(C)c(C)n4)n3)ccc2	2353
+C1CCN(C1)c2nc3c(s2)C=Cc4cc(ccc4C3C5=CN(C)C(=O)NC5=S)Cl	3873
+CC(C)(C)OC(Nc1ccn2nc(nc2c1)N3CCCC3)=O	2652
+c1(cc(ncn1)N2CCOCCC2)NN	1021
+C1CC2N(c3c(cc(cn3)C(=O)OC)NC2=O)CC1	1530
+CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c2c(F)cc(Oc3c(cc(cc3)Cl)-c4cc(CN5CCC5)ncc4)c(F)c2	315
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(Br)cn2CCN3CCC3	123
+CC(C)(C)OC(=O)Nc1cc(ccc1)C(N2CCC2)=O	30
+CC(C)(C)OC(N1CCC(CC1)C(N2CCC2)=O)=O	10
+CC(C)(C)OC(NC(C(N1CCC1)=O)C(C)C)=O	10
+CC1(C)C(C)(C)OB(O1)c2cc(CN3CCC3)sc2	509
+C1CCN1C(=O)NCc2c(nccn2)Cl	6624
+C1CCN1c2c3c(nc(Cl)n2)nc(c(Cl)n3)Cl	1310
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4nc(CC(F)(F)F)cn4CCN5CCC5	123
+FC(F)(F)c1ccc(cc1)-c2c3c(cc(cc3)C#CCCCN4CCC4)sn2	123
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(c(OC)c3)C=4NOC(=O)N=4)c(n2)CCCN5CCC5	123
+C1N(CC1)C(c2ccc(c(c2)F)F)=O	30
+c1(F)cc(cc(F)c1CC(=O)N2CCC2)OCCC3C(C4CCN(CC4)c5ncc(cn5)OCC)C3	10
+C1CCN1c2ncc(cc2Cl)Oc3ccc(cc3C#N)S(=O)(=O)Nc4ncc(cc4)F	361
+C1CCN1C(=O)c2cc3c(s2)c(ccn3)Cl	867
+C1CCN1C(c2cc(c3OC(=CC(=O)c3c2)N4CCOCC4)C5CCCN5c6cc(F)cc(F)c6)=O	1997
+C1N(CC1)CCCCCn2c(nc3c(nc(nc23)OCCCC)N)OC	53
+C1CCN1C(c2c(n(C)nc2)C(=O)Nc3cc4nc(nn4cc3)-c5cccc(c5)OC)=O	1020
+C1CCN1C(c2c3c(C)cccc3c(Cl)nc2)=O	211
+c1c(F)c(c(cc1O)F)CC(=O)N2CCC2	10
+C1N(CC1)c2c3c(ccc([N+]([O-])=O)c3)nc(CCC)c2	264
+C1CN(CCN1C(c2ccccc2)=O)CC(=O)N3CCC3	10
+C1CCN1C(Cc2ccc(cc2)Br)=O	10
+C1N(CC1)C(=O)c2ccc(cc2)C(OC)=O	115
+C1CCN1C(=O)c2ccc(cc2)I	30
+C1CCN1C(=O)Cc2ccc(cc2)OCCC3C(C4CCN(CC4)c5onc(C(C)C)n5)C3	10
+C1CCN1c2ncc(S(=O)(=O)N3CCC=4C(Cc5c(n(nc5)-c6ccc(cc6)F)C=4)(COCC)C3)cc2	43
+C1CCN1C(Oc2ccccc2)=O	66
+c1(F)cc(cc(F)c1CC(=O)N2CCC2)OCCC3C(C4CCN(CC4)c5ncc(cn5)COC)C3	10
+C1CCN1c2nn(c(n2)C=Cc3nn4c(C)cc(C)nc4n3)C	3520
+c1cc(ccc1CC(=O)N2CCC2)-c3c(cc4c(c(C=O)c[nH]4)c3)Cl	749
+C1CCN1c2n3ccnc(Cl)c3cn2	6625
+C1CCN1C(=O)c2cc(c(Oc3cc(OC(CO)C)cc(C(O)=O)c3)cc2)F	1
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(Oc2ccc(cc2F)C(=O)N3CCC3)cc(C(O)=O)c1)C	19
+C1CCN1C(c2sc3c(Oc4ccc5c(C(NC)=O)c(n(c5c4)CC)C)ccnc3c2)=O	680
+FC(F)(F)c1nn(-c2ccc(cc2)C(N3CCC3)=O)c4CN(CCc14)C	568
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(C(Nc4cnc(cn4)C)=O)cc(OC5COCC5)c3	1351
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(OC4CCOC4)cc(C(O)=O)c3	1
+C1CCN1C(=O)Cc2ccc(cc2)B3OCC(CO3)(C)C	734
+C1N(CC1)C=2SC3C(N=2)C(O)C(C(COC(=O)C)O3)OC(C)=O	59
+CC(C)Oc1ncc(OCc2c(cc(C(=O)NS(=O)(=O)N3CCC3)c(c2)F)F)cc1Cl	258
+O=S(=O)(NC(=O)c1cc(c(COc2cc(c(cc2)Cl)Cl)cc1F)Cl)N3CCC3	258
+c1cc(ccc1)CNc2c(Cl)nc3c(nc(Cl)nc3N4CCC4)n2	464
+FC(F)(F)c1c(c(-c2nc(sc2)NC(=O)c3ccc(cc3)Nc4ncnc(N5CCC5)c4)ccc1)F	3875
+C1CCN1c2cc(ncn2)Nc3ccc(cc3)C(=O)OC	128
+C1N(CC1)c2nc(n(n2)C)CCc3nc4n(n3)c(cc(n4)C)C	6626
+C(OC(=O)NC1C=2N(C(=O)C=C(N=2)c3ccncn3)CCCC1)C	101
+CC(C)(C)[Si](C)(C)OCC1CCCCN1	19
+C[Si](C)(C)CCOCn1c2c(c3c(ccnc13)OCC4CCCCN4)cc(C#N)nc2	3876
+Cc1cc(cc(C)c1S(=O)(=O)N2CCCCC2CO)OC	92
+CC(C)(C)C(=O)Nc1c(C(OC)=O)c([N+](=O)[O-])c(N2CCCC2=O)cc1	654
+CC(C)(C)OC(=O)N1c2cc(ncc2C(C)(C)C1)N3C(CCC3)=O	6627
+CC(C)(C)OC(=O)N1CCc2c(CC1)cc(Oc3ccc(cn3)N4C(CCC4)=O)cc2	3219
+CC(C)OCCCn1c(nc2cnc3c(ccc(c3)N4CCCC4=O)c12)COCC	2653
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CN3CCCC3=O)cc1)Br)CC	806
+c1c(cc(cc1)-c2nc(-c3cnccc3)no2)N4C(=O)CCC4	654
+n1c(c(Cl)ncc1)N2CCCC2=O	3613
+c1c(C)ccc(n1)N2CCCC2=O	3878
+N1(CCCC1=O)CCc2ccc(Br)nc2	638
+c1c(C(=O)O)cc(cc1[N+]([O-])=O)N2CCCC2=O	654
+c1(nc2c(c(Cl)c1)cc(cc2)N3CCCC3=O)C	883
+C1CC(CCN1c2nc(CN3CCCC3=O)nc4c2c(cs4)-c5ccccc5)CO	6628
+c1ccccc1CSc2c(c(N3CCCC3=O)ccc2)C	654
+C1CN(CCC1COc2ncc(nc2)-c3ccc(C(=O)N4CCCC4C(=O)N)c(F)c3)CC(C)(C)F	3388
+CC(C)(C)OC(=O)N1C2CC(C1C(N3CCCC3C(=O)N)=O)CC2O	348
+CC(C)(C)OC(=O)N1C(Cc2c(C1)cc(O)cc2)C(N3CCCC3C(=O)N)=O	348
+CC(C)(C)OC(=O)NC(C(=O)N1C(CCC1)C(=O)N)C2CCC(CC2)NC(=O)OCc3ccccc3	348
+CC(C)(C)OC(=O)NC(CCC(=O)OCC)C(N1C(CCC1)C(N)=O)=O	348
+C1C(C(OC)=O)N(c2nc(ncc2)-c3cnc4ccc(cn34)F)CC1	2619
+FC1CN(CC1)c2nc(cc(C)c2[N+]([O-])=O)N3CCOCCC3	43
+c1cc(ccc1C#Cc2ccc(cc2)CN3CCOCCC3)C(=O)OCC	48
+c1cc(ccc1C#Cc2ccc(cc2)C(N(C(C)(C(=O)NOC3OCCCC3)C(=O)NC)C)=O)CN4CCOCCC4	48
+C1CCN(CCO1)c2cc(Cl)ncn2	54
+c1(c(C)c(C)ccc1C)Oc2cnnc(O)c2Cl	3879
+n1nc(O)c(Cl)c(c1)Oc2c(cccc2)C(C)=O	3879
+C(OC)(=O)C1C=CCN2N1C(C(C2=O)(C)CCO)=O	168
+C(=C)P(C=C)(=O)c1ccc(cc1)F	6629
+CC(C)(C=O)c1cc(c(F)cc1)Br	1137
+CC(C)(C=O)c1c(cc(OC)c(Br)c1)Cl	1137
+CC(C)(C)OC(=O)N1CC(F)(F)C(=CC(=O)OCC)CC1	3676
+CC(C)(C)OC(=O)N1CCC(CC1)N2c3c(cc(c(c3)C)F)NC2=O	6630
+CCC(CC)(c1ccc2oc(cc2c1)C)O	6631
+c1cc(ccc1S(=O)(=O)N)-c2c(c(sc2C(CC)=O)N3CCOCC3)C	3880
+O=Cc1c(C)cc(cc1OC)Br	3881
+Cc1cc(cc(C)c1Oc2nc(cc(NC(CC)CC)c2C)C)C=O	3882
+FC(F)(F)c1cnc(C(C)=O)cc1	6632
+FC(F)(F)c1ccc(Oc2ccc(cc2)CCO)cn1	6633
+FC(F)(C1(OC1)c2c(F)cc(cc2)F)SCC	2059
+c1cc(F)c(c(OC)c1OC)C=O	6634
+CC(C)(OCC)COC1CC(C1)N2c3n(ncn3)C(CCC)=C(C2=O)Cc4ccc(cc4)-c5ccccc5C#N	6635
+C1CC(CCC1N2c3n(ncn3)C(=C(C2=O)Cc4ccc(cc4)-c5ccccc5C#N)CCC)OC(C(C)(C)O)CC	6636
+c1c(Br)c(F)ccc1C=C	6637
+c1(cccc(Cl)c1CCOCCN2CCC3(CC2)CO3)Cl	6638
+c1ccc2C(=O)N(C(c2c1)=O)CCCC(CO)N(C(=O)NCc3cccc(c3Cl)F)C	6639
+C1OC1(c2ccc(cc2F)F)C(C)c3cccnc3	2059
+c1c(cc(c(I)c1)C=O)Br	3881
+c1cc(ccc1)C(c2ccccc2)(C=O)CC(C)N(C)C	1137
+c1cc(ccc1)CN(Cc2ccccc2)c3ccc(C=O)nc3	6640
+c1cc(ccc1-c2oc3c(cccc3c2)C(=O)OC)[N+](=O)[O-]	6641
+c1ccccc1COc2ccc(cc2)C3(CC3)c4nc5c(nc(-c6ccc(cc6F)C7OCCCO7)s5)cc4	6642
+c1cc(ccc1Cl)Oc2ccc(c(Cl)c2)C3(CC)CO3	2059
+c1cc(ccc1F)CCN2CCC(CC2)C=O	1137
+c1cc(ccc1-c2cc(-c3ccc(cc3)Cl)sc2C(CC)=O)S(=O)(=O)N	3880
+c1(cc(cnc1)C#Cc2cccc(c2)OC)C=O	6643
+c1ccccc1CN2CC(NC)C(c3cc(F)c(cc3)Cl)C2	3883
+C1CC(CCC1CCOCc2ccccc2)=C	6644
+c1ccccc1COc2c(cc(Cl)cc2)C3(C)OC3	2059
+O=Cc1c2ccncc2c(cc1)Br	3882
+C1CC1c2c(OCC3OCCC3)nc(cc2)C(O)=O	2060
+c1(F)c(ccc(N2C(c3c(C=C2)cc(OCC4CCCO4)cc3)=O)c1)Br	6645
+CC1(C)OB(OC1(C)C)c2cccc(c2)OCC3OCCC3	17
+FC(F)(F)C(=O)c1cn(CC2OCCC2)c3cccc(Cl)c13	531
+CC(C)CNCc1cc2OCCCOc2c(c1)Cl	42
+C1CC(CCN1C(=O)c2cc(Cc3c4c(c(O)nn3)CCCC4)ccc2F)C(OCC)=O	30
+C1CCc2c(C1)c(nnc2Cc3ccc(F)c(C(=O)O)c3)O	3831
+O=S(=O)(c1c(cc(cc1)F)NC2c3c(ccc(c3CCC2)OC)OC)C	60
+C1c2c(CCC1)ccc(OC)c2O	1991
+OC1c2c(CCCC1)cccn2	59
+c12c(cccc1)nc(N)c3nc4n(OCCCC4)c23	445
+FC(F)(F)Oc1cc(ccc1)S(=O)(=O)Nc2cc(c(cc2)OC)C3CN(CC3)C(=O)CC	69
+C1CN(C(=O)CC)CC1c2c(ccc(N)c2)OC	0
+CC(C)(C)OC(N(CC(=O)N1CCSc2c1ccc([N+](=O)[O-])c2)CCO)=O	1568
+Clc1ccc2c(NC(N2C3C(C)CN(CC3)C(=O)OC)=O)c1	1595
+C1CN(C(=O)OC)CC(C)C1Nc2c(N)cc(Cl)cc2	0
+CCNC1CCNCC1C	215
+N1CC(c2cc(ccc2)OC)=CCC1	6646
+C1CN(C(CC1c2n3c(c(N)ncc3)c(Br)n2)=O)C	522
+CC(C)(C)OC(N(CC(=O)N1c2cc(ccc2SCC1)[N+]([O-])=O)C)=O	1568
+FC(F)(F)COc1c(Cl)cccc1CC(N2CCN(c3c(C)cccc3)CC2C(=O)N)=O	6647
+c1ccccc1Cc2c(C)c(c(nn2)N3CC(C)NCC3)C	6648
+N1(CCN(c2ncc(C(OC)=O)nc2)C(C)C1)c3nnc(c(C)c3C)Cl	317
+c1cc(ccc1OC(OC2CCN(C2)c3ncc(C(=O)N)cc3)=O)[N+]([O-])=O	405
+c1c(ccc2n1c(C3CN(C)CC3)nn2)OC4CCC(N)c5ccccc45	870
+C1CN(CCC)CC(c2cc(ccc2)O)=C1	5
+c1c(C)c(c(cc1C)C)CC(=O)NC2(CCN(CC2)OCC)C#N	68
+c1cc(ccc1)C(N2CCC3(CC2)C(c4c(C3)cccc4)=O)=O	214
+C1CC(CCN1Cc2ccccc2)(Nc3cccc(c3)C)CO	44
+C1CC(CCN1c2sc3c(ccc(Cl)c3)n2)(CCCl)CC	221
+C1CN(CCC1(CC)CCOc2cc(ccc2Cl)CC(O)=O)c3sc4c(ccc(Cl)c4)n3	4
+C1CC(CCN1C(c2ccccc2)=O)(c3ccccc3)CCN4CCC(CC4)c5nc(Cc6cccnc6)no5	61
+C1CN(CCC1(c2c(cccc2)C)CNC(=O)OCC)C(=O)OCC	101
+c1ccccc1C2(CCNCC2)CNC(c3ccccc3OC)=O	25
+c1cc(ccc1)CN2CCC3(CC2)COC(c4ccc(cc4)OCCCN5CCCC5C)=N3	6649
+C1CN(CCC1(COc2ccc(cc2)C#N)O)Cc3ccccc3	57
+C1CN(CCC1(F)CN=[N+]=[N-])C(=O)OCc2ccccc2	133
+C1CC(CCN1C(=O)OCc2ccccc2)(F)CN	18
+FC(F)(F)c1ccc(cc1)-c2nnc(N3CCN(C(C)C3)C(N4CCC(CC4)(F)F)=O)c5c2ccnc5	468
+C1CN(CCC1(F)F)C(=O)c2nc(sc2)C(NN)=O	6650
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(OCC)=O)o3	126
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(=O)O)o3	6
+C1CN(CCC1(F)F)c2nc(N3Cc4c(CC3)nccc4)cc(c2[N+]([O-])=O)C	43
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)(C(=O)N)N)N3C(NC(=O)C3(C)C)=O	527
+C1CN(CCC1(C)N)c2c3c(ccc2)OCCO3	524
+c1cc(ccc1C(N2CCC(CC2)(CNC(=O)c3cccc(Oc4ccc(cc4)F)c3N)O)=O)F	14
+C1CN(CCC1(OC)CC2CCCCC2)c3ccc(cc3)C(=O)O	6
+C1CC(CCN1C(=O)OCC)(Oc2ccc(cc2N)F)C#C	0
+C1CN(CCC1(CN)c2ccccc2C)C(=O)OCC	51
+C1CN(CCC1(COCc2c3ccccc3cc(C#N)c2OC)c4ccc(Cl)c(c4)Cl)C	149
+C1CC(CCN1c2ncnc3nc[nH]c23)(C=O)c4cccc(-c5cn(nc5)C)c4	24
+C1CC(CCN1)(O)c2cc3c(CCOC3)cc2	215
+C1CC(CCN1C)(c2ccc(Cl)c(Cl)c2)C(=O)OCC	27
+C1CNCCC1(c2sc(Cl)cc2)O	215
+c1cc(ccc1)C2(CCN(CC2)Cc3ccccc3)CN4CCN(CC4)C	6651
+C1CC(CCN1Cc2ccccc2)(c3cnccc3)NC	2062
+C1CN(CCC1)C(=O)c2ccc(cc2)CO	41
+c1cc(ccc1)NC(NC(C(=O)N2CCCCC2)CCCCO)=O	1631
+C1CN(CCC1)C(Cc2ccccc2)C(=O)N3C(CCC3)C(=O)N4C(CCC4)C(O)COc5ccccc5	2654
+C1CCCCN1C(NCc2cccnc2)=C[N+](=O)[O-]	2063
+c1cc(ccc1)COCC2CC(C2)(N3CCCCC3)CN	51
+C1CN(CCC1)C2(CC(C2)CO)CNC(=O)c3c(Cl)cc(cc3)Cl	118
+C1COCCN1c2c3c(cc(CN4CCC(CC4)N5CCCCC5)s3)nc(Cl)n2	509
+C1CN(CCC1N2CCCCC2)c3c(C(C)=O)cc(c4cccnc34)Cl	1563
+FC(F)(F)c1cc(-c2nc3c(c(c2CN4CCC(CC4)N5CCCCC5)C(OC)=O)cc(cc3)S(=O)(=O)C)ccc1	619
+FC(F)(F)c1cccc(-c2nnc3CC(CC(OC(N4CCC(CC4)N5CCCCC5)=O)c3c2)C)c1	2655
+C1CN(CCC1N2CCCCC2)CC=CC(Nc3c(OC)cc4ncc(c(Nc5ccc(F)c(c5)Cl)c4c3)C#N)=O	3600
+CC(C)(C)[Si](C)(C)OCCCc1cc2C(C)(C)CCC(C)(C)c2cc1C=O	6652
+c1ccccc1-c2cc(C=O)c(cc2)CO	6653
+C1CN(CCC1)CC#CC(=O)Nc2ccc3ncc(C#N)c(Nc4cccc(Br)c4)c3c2	2355
+C1CCCCN1CC=2NC=3CC(c4c(cc(cc4C)C)C)OC(=O)C=3C(C=2C(=O)OCC)c5cc(O)ccc5	3539
+C1CN(CCC1)CC2ON=C(c3ccc(-c4c(F)cc(N5C(=O)OC(Cn6ccnn6)C5)cc4)cn3)C2	156
+C1CN(CCC1)CCCC#Cc2c3nc(nc(c3n(COCc4ccccc4)c2)N)CCCC	3885
+C1CN(CCC1)CCCCCc2c3nc(CCCC)nc(N)c3n(c2)COCc4ccccc4	2065
+CC(C)(C)OC(n1nc(-c2ccc(nc2)OC)cc1NC(=O)CCCN3CCCCC3)=O	142
+C1CN(CCC1)CCCC(=O)O	3
+C1CN(CCC1)CCCCCCCCCC(CO)O	1886
+C1CN(CCC1)CCCCCc2c[nH]c3c(nc(CCCC)nc23)N	6654
+CC(C)(C)c1cc(NC(=O)Nc2cc(C#Cc3cnc(nc3)NCCCN4CCCCC4)ccc2)n(C)n1	96
+CC(C)CCN(CCC(C)C)C(c1cc(NCCCN2CCCCC2)c([N+](=O)[O-])cc1)=O	60
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc([N+](=O)[O-])c(NCCCN2CCCCC2)c1)=O	205
+O(C)C(OC)CNCCCN1CCCCC1	110
+C1CCCCN1CCCN=C=S	985
+C1CCCCN1CCCNC(c2cc(Br)ccc2)=O	93
+C1CCCCN1CCCNc2c([N+]([O-])=O)ccc(Cl)n2	70
+C1CCCCN1CCCNc2nc(ccc2[N+](=O)[O-])Br	340
+C1CN(CCC1)CCCN2CCC(CC2)CCCN3C(=Nc4c(OC)cccc4C3=O)C=Cc5ccc(cc5)Cl	2066
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(c(OCCCN3CCCCC3)cc2)F	79
+C1CN(CCC1)CCCOc2c(OC)cc3c(ncnc3Oc4ccc5c(c4)cc(C(O)=O)[nH]5)c2	185
+C1CN(CCC1)CCCOc2cc3c(cc2OC)c(Cl)ncn3	569
+C1CN(CCN1c2cc(c(OCCCN3CCCCC3)cc2)F)C(=O)c4ccccc4	115
+CC(C)(C)c1ccc([N+]([O-])=O)cc1OCCN2CCCCC2	72
+C1CCCCN1CCC(c2c(cccc2)Cl)C#N	3886
+c1cc(ccc1C)S(=O)(=O)Oc2ccc(Br)c(OCCN3CCCCC3)c2	72
+C1CN(CCC1)CCn2nc(c3ccccc23)I	2058
+C1CN(CCC1)CCNC(=O)c2ccc(-c3ccc(N)c(F)c3)nc2NCC	362
+C1CN(CCC1)CCOCC=2NC(=NC(c3cc(c(cc3)C)[N+](=O)[O-])C=2C(=O)OCCCc4ccccc4)c5occc5	6655
+c1cc(ccc1C2=NC(=C(C(=O)OCCCc3ccccc3)C(N2)c4ccc(c(Cl)c4)Cl)COCCN5CCCCC5)Cl	6656
+C1CN(CCC1)CCOc2ccc(cc2)C3c4c(ccc5cc(O)ccc45)-c6ccc(cc6O3)CO	5
+C1CN(CCC1)CCOc2ccc(cc2)C3c4c(ccc5c4ccc(OC)c5)-c6ccc(cc6O3)CO	98
+FC(F)(F)S(=O)(=O)Oc1c(Oc2ccc(cc2)OCCN3CCCCC3)c4ccc(cc4cc1)OC	166
+C1CN(CCC1)CCOc2c(cc(CNc3cc(OC)ccc3-c4sc5c(cccc5)n4)cc2)F	162
+O=S(=O)(N1CCc2c(OCCN3CCCCC3)cccc2C1C(O)=O)c4ccc(cc4)Oc5ccc(cc5)F	6657
+C1CCCCN1CCn2c3c(c(-c4ccc(cc4)NC(NCc5cccnc5)=O)n2)cccc3	1016
+C1CN(CCC1)Cc2ccc(OCCCCCOc3c4c(cc(Cl)cc4)ncc3)c(c2)OC	8
+C1CN(CCC1)Cc2cc(ccc2)OCCCCN	51
+c1cc(ccc1C(c2ncccc2)CCN(CCNC(=O)NCCCCOc3cccc(c3)CN4CCCCC4)C)Cl	1957
+C1CN(CCC1)Cc2oc(cc2)CNCCN3c4c(NC3=O)cccc4	3887
+c1(cc(cc(F)c1)Cc2cc3c(NC(=O)c4c([N+](=O)[O-])cc(cc4)CN5CCCCC5)n[nH]c3cc2)F	650
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+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(CCCCSCCO)=O	95
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+C[Si](C)(C)c1ccc(cc1)-n2c(c(cc2-c3ccc(cc3Cl)Cl)C(=O)NN4CCCCC4)C	1872
+FC(F)(F)CCOc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C	6659
+FC(F)(F)Oc1ccc(cc1)-c2nc(c(C)[nH]2)C(NN3CCCCC3)=O	3888
+c1ccccc1COc2ccc(cc2)-n3c(c(nc3-c4c(Cl)cc(cc4)Cl)C(NN5CCCCC5)=O)C	3888
+C1CN(CCC1)c2cc([n+](cc2Br)[O-])C	103
+C1CCCCN1c2c(N)ccc(OCC)c2	0
+C1CN(CCC1)c2cc(c(cc2)OC)CCN3CCC(CC3)n4ccc5c4cc(C(=O)N)cc5	61
+C1CN(CCC1)c2cc(OCC)ccc2[N+]([O-])=O	556
+C1CCCCN1c2cc(-n3ccnc3)ccc2[N+](=O)[O-]	2067
+FC(F)(F)c1c(nccc1)N2CCN(CC2)c3nc(N4CCCCC4)cc(n3)Cl	117
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+C1CC2(CCN1Cc3ccccc3)CCNCC2	15
+C1CN(CCC12CCc3ccccc23)CC4Cc5ccccc5N(CC(O)=O)C4=O	4
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+CC(C)(C)C(=O)OC1=C(c2c(cc(c(c2)-c3ccc(cc3)Cl)F)C)C(NC14CCN(CC4)OC)=O	6660
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+C1CN(CCC12OCCN(C(c3nc(sc3)C(C)C)=O)C2)CCc4cc(sc4)CCO	59
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+C1CN(CCC1NC)Cc2cc(c(F)cc2)F	87
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+C1CN(CCC1COc2cc3ncnc(Cl)c3cc2OC)C	569
+Fc1cc(cc(F)c1Nc2ncnc3cc(c(cc23)OC)OCC4CCN(CC4)C)Cl	73
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+C1CN(CCC1COc2ncc(nc2)-c3ccc(C(OCC)=O)c(F)c3)CC(C)(C)F	3901
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+CC(C)C(N)CN1CCC(CC1)Cc2cc(c(Cl)cc2)Cl	15
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+C1CC(CCN1CCNC(=S)Nc2c(ccnc2)N)Cc3nc4cccnc4n3CCOCC	3902
+C1CC(CCN1)Cn2c3c(nc2OC)c(nc(OCCCC)n3)N	62
+C[Si](C)(C)Cn1nnc(c1)-c2cc3c(cc2)n(cc3)CC4CCN(CC4)C(CCc5ccccc5)=O	6677
+C1CN(CCC1Cn2ccc3c2ccc(-c4c([nH]nc4)C)c3)C(CCc5ccccc5)=O	747
+CC1(C)C(C)(C)OB(O1)c2cc3c(n(cc3)CC4CCN(CC4)C(CCc5ccccc5)=O)cc2	17
+C[Si](C)(C)C#Cc1cc2c(n(CC3CCN(CC3)C(CCc4ccccc4)=O)cc2)cc1	263
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+CC(C)(C)C(Nc1cc(NC2CCN(CC2)C)c(Cl)cn1)=O	105
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+C1CC(CCN1CC(C)N2CC(C(CC2)O)C)NC(=O)c3cc4c(OCc5c6c(oc5)cc(F)cc6)cccc4[nH]3	81
+C1CN(CCC1NC(=O)c2cc3c(SCC(N3)=O)cc2)CCOc4nc5c(ccc(OC)c5)nc4	14
+C1CN(CCC1NC(=O)c2cc(-c3sccc3)on2)CCOc4nc5c(ccc(OC)c5)nc4	81
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+C1CN(CCC1Nc2nc3cc(ccn3n2)-c4ccccc4)c5snc(n5)C	2070
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+C1CN(CCC1Oc2c(nccn2)Cl)c3ccc4ccccc4n3	799
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+C1CN(CCC1O)c2ccc(-c3cncc(C(OCC)=O)c3)nn2	1633
+C1CC(CCC1)(C(O)=O)NC(OC2CCN(CC2)C(OC)=O)=O	210
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+C1CC(CCN1c2c(C3CC3)cc(cn2)[N+](=O)[O-])OC(c4ccccc4)=O	6685
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+C1CN(CCC1OC)CCCNC2=N[N+](c3c(N2[O-])cc4c(CCC4)c3)=O	6686
+CC(C)Nc1c([N+]([O-])=O)cnc(Nc2nc(N3CCC(CC3)OC)ncc2)c1	346
+FC(F)(F)C(COC1CCN(CC1)C(OCc2ccccc2)=O)O	1634
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+C1CC(CCN1c2onc(n2)C(C)C)Oc3c(c(ncn3)Oc4c(cc(Br)cc4)F)C	185
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+C1CNCCN1c2c(OC3CCN(CC3)c4ccc5ccccc5n4)nccn2	317
+C1CN(CCC1Oc2nccc(CN)c2)C	107
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+C1CN(CCC1Oc2cc(ccc2Br)F)c3sc(nn3)-c4nnn[nH]4	6688
+CC(C)(C)OC(=O)COc1c(Cl)ccc(c1)C(NCC(O)CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3C)=O	14
+C1CN(CCC1Oc2ccc(F)cc2F)c3nc4CCN(Cc4nc3NC5COCC5)C(C)=O	3906
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+CC(C)(C)[Si](C)(C)OCCSc1ccc2c(c1)CCN2c3cc(ncn3)OC4CCN(CC4)C(=O)OC(C)C	860
+CN(C)C(Cc1ccc(c(c1)F)Oc2ncnc(OC3CCN(CC3)C(=O)OC(C)C)c2C)=O	10
+C1CN(CCC1Oc2sc3cc(C4=CCN(S(=O)(=O)CCC(=O)OC)CC4)ccc3n2)c5nnc(C)s5	990
+C1CN(CCC1Oc2sc3cc(C4=CCN(S(=O)(=O)CCC(=O)OC)CC4)ccc3n2)c5onc(C(C)C)n5	990
+CC(C)(C)OC(N1CC=C(CC1)c2cc3sc(OC4CCN(CC4)c5nnc(C)s5)nc3cc2)=O	3907
+CC(C)(C)OC(N1CC=C(CC1)c2cc3sc(nc3cc2)OC4CCN(CC4)c5onc(C(C)C)n5)=O	3907
+C1CN(CCC1c2c3c([nH]c2)c(cc(-c4cncc(CN5CCOCC5)c4)c3)C(=O)N)S(=O)(=O)CC	391
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+C1CN(CCC1c2c3cc(-c4cc(ccc4)CO)cc(C(=O)N)c3[nH]c2)S(=O)(=O)CC	11
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+C1CN(CCC1c2[nH]nc3c2ccc(F)c3)CCCOC(Nc4ccc5OCOc5c4)=O	589
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+C1CN(CCC1c2c3c(c(cc(c3)-c4cccc(c4)CNCc5cscc5)C(=O)N)[nH]c2)S(=O)(=O)CC	42
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+C1CN(CCC1c2ccc(cc2)-c3c(Cl)cc4c(c(C(=O)OC)c[nH]4)c3)C(=O)C	749
+c1(Cl)cccc(Cl)c1C(=O)NC(Cc2ccc(cc2)C3CCN(CC3)S(=O)(=O)C)C(OC)=O	259
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+c1ccccc1C2CCN(CC2)C(=O)C3CNCC34CCCc5ccccc45	25
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+C1CN(CCC1c2ccccc2)Cc3cnc(NC(C)=O)s3	290
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+C1CNCCC1c2oc(-c3ccc(cc3)F)c(COC)n2	526
+C1CN(CCC1n2ncc(-c3cc(c(nc3)N)-c4oc5c(ccc(OC)c5)n4)c2)C	3908
+C1CN(CCC1n2cc(-c3cnc(c(c3)C(Nc4c(O)cc(OC)cc4)=O)N)cn2)C	246
+C1CN(CCC1n2cc(cn2)-c3cnc(N)c(C(O)=O)c3)C	1
+C1CN(CCN1C)c2c(CN3CCN(CC3)C)cc(cc2)[N+](=O)[O-]	889
+C1CN(CCO1)Cc2ccc(cc2)N3CCC(CC3)N4CCN(CC4)C	85
+C1COCCN1c2c3c(cc(s3)CN4CCN(CC4)C)nc(Cl)n2	509
+C1CN(CCN1CCn2nc3c(-c4c(c5c(Nc6cc(c(OCc7ncccc7)cc6)Cl)ncnc5s4)CC3)c2)C	28
+c1cc(ccc1)CC(C(=O)N2CCN(CC2)C)CC(=O)N3Cc4cscc4C3	10
+CC(C)(C)C(=O)OCN1C=Nc2cc(OCC(CN3CCN(CC3)C)O)c(OC)cc2C1=O	170
+CC(C)(C)OC(=O)N1CCC(CC1)Sc2nc(cc(n2)Nc3ncc(C#N)s3)N4CCN(CC4)C	54
+CC(C)(C)OC(NCc1c(c(C)cc([N+]([O-])=O)c1)N2CCN(CC2)C)=O	79
+CC(C)(C)OC(CC(c1nc(C(N2CCN(CC2)C)=O)no1)CCCC3CCCCC3)=O	2661
+C1CN(CCN1c2n(C(C)C)c3ccc(Cl)cc3n2)C	2071
+CC1(C)c2c(N(C)C1=O)cc(-c3oc(N4CCN(CC4)C)nc3)cc2	6692
+C1CN(CCN1C)CCC2CC(CCC2(C)C3C(OC(C)=O)C4CCC(=C)C4(C)CC3)OC(=O)C	61
+C1CN(CCN1c2cc(N(CC)C(C)=O)c([N+](=O)[O-])cc2F)C	202
+C1CN(CCN1c2ncc(c(CC(=O)OCC)c2)[N+]([O-])=O)C	323
+C1CN(CCN1C)CCCc2c3c([nH]c2C=O)CCCC3	6693
+C1CN(CCN1c2cnc(O)c3c2cc(cc3)OC)C	244
+C1CN(CCN1c2cc(ccc2)Cc3c(C)nc(C(OCC)=O)s3)C	79
+C1CN(CCN1C)C(=O)Nc2cccc3nc(ccc23)NC4c5c(CC4)cccc5	2016
+C1CN(CCN1C)c2cc(cc(Cl)c2)C#N	34
+C1CN(CCN1C)c2cc(c(cc2)[N+](=O)[O-])N3CCCC(F)C3	202
+C1CN(CCN1c2c(cc(c(c2)NC)[N+](=O)[O-])Cl)C	202
+C1CN(CCN1c2cc(C(O)=O)c(cc2)[N+](=O)[O-])C	202
+C1CN(CCN1C)c2c([N+](=O)[O-])ccc(Cl)c2	34
+C1CN(CCN1C)Cc2nn3c(C(=O)NC(c4c(Cl)cc(cc4)Cl)=C3)c2	315
+C1CN(CCN1C)CCCCOc2ccc3c(n(-c4sc(c(n4)-c5cc(ccc5)Cl)C(N)=O)cn3)c2	53
+C1CN(CCN1c2nc(CC)nc(NN)c2F)C	6694
+C1CN(CCN1c2cc(c3CCCCc3c2)CC(=O)OCC)C	908
+C1CN(CCN1C)c2ccc3c(c2)C(N(C=C3)c4cc(ccc4C)C(=O)OC)=O	908
+FC(F)(F)c1ccccc1CNC(=O)C2CCN(CC2)c3nc(nc(Cl)n3)N4CCN(CC4)C	436
+FC(F)(F)c1c(OCC)ccc(-c2cc3c(c(C#N)n2)nc([nH]3)CN4CCN(CC4)C)c1	894
+FC(F)(F)c1cc(Nc2cc(NC(=O)c3ccc(cc3)CN4CCN(CC4)C)ccc2C)nc(-c5ccncc5)n1	171
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+C1CN(CCN1c2cc(cc([N+]([O-])=O)c2)F)C	34
+C1CN(CCN1C)CCOc2cc3c(cc2OC)cc4c(c(C#N)cnc4c3)Nc5ccc(Sc6nccn6C)c(Cl)c5	53
+C1CN(CCN1c2nc3ccc(OC)cc3c4nc(C)nn24)C	6695
+C1CN(CCN1c2c(c(cc(Cl)n2)N)[N+](=O)[O-])C	43
+O=S(=O)(c1ccc(O)c(c1)-c2nc(O)c3n(C)nc(c3n2)CCC)N4CCN(CC4)C	92
+O=S(=O)(N(C)c1cccc2c1[nH]c(C3=NCC(S3)CC(=O)N4CCN(CC4)C)c2)c5cccs5	10
+C1CN(CCN1CCn2ncc(-c3cc(-c4nc5ccccc5o4)c(nc3)N)c2)C	123
+C1CN(CCN1S(=O)(=O)c2sc(Br)c(c2)-c3sc(NC(C)=O)nc3C)C	1147
+C1CN(CCN1c2c([N+]([O-])=O)cc(Nc3nccc(-c4c5ccccc5n(c4)C)n3)c(OC)c2)C	34
+C1CN(CCN1c2cc(NC(Cc3ccc4OCOc4c3)=O)c(C(=O)OC)c(c2)F)C	34
+c1(C)cc(cc(C)c1)NC(c2cccnc2SCc3ccnc(c3)N4CCN(CC4)C)=O	361
+C1CN(CCN1C)c2c(F)c(Cl)c([N+]([O-])=O)c(F)c2C	34
+c1(c(F)c(c(c(F)c1[N+](=O)[O-])F)N2CCN(CC2)C)F	34
+C1CN(CCN1C)c2cc(F)nc(F)c2	6696
+C1CN(CCN1c2nccc(N)c2)C	43
+C1CN(CCN1c2c(nccn2)Cl)C	317
+C1CN(CCN1C)c2cc3ncn(c3nc2)Cc4ccc(c(OC)c4)OCc5cnc(cc5)OC	6697
+C1CN(CCN1C(=O)c2cc(c([N+](=O)[O-])cc2)[N+](=O)[O-])C	30
+C1CN(CCN1C)c2cc3c(c(c2)C#N)N=CN(c4cc(C(=O)OC)ccc4C)C3=O	560
+C1CN(CCN1C)c2nc(nc(NN)c2)CC	54
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+C1CN(CCN1C)c2nc(N)nc(N3Cc4cc(Br)ccc4CC3C)c2	54
+C1CN(CCN1c2cc3ncn(Cc4cc(c(OCc5ccc(nc5)OC)cc4F)OC)c3cc2)C	6698
+C1CN(CCN1c2c(cc([N+](=O)[O-])c(F)c2CC)F)C	34
+C1CN(CCN1c2c(cc(Br)cc2)C#N)C	34
+C1CN(CCN1c2cc(CC(=O)OCC)c(cc2)[N+](=O)[O-])C	79
+C1CN(CCN1C)c2ccc3C(COc3c2)=O	34
+C1CN(CCN1C)C=2c3c(Nc4cc(F)ccc4N=2)sc5c3ccc(Br)c5	6699
+C1CN(CCN1c2c3n(ccn2)c(cn3)-c4cccc(Br)n4)C	2072
+C1CN(CCN1C)c2n3c(nc(CN(C)C4c5ncccc5CCC4)c3Br)ccc2	1902
+C1CN(CCN1c2cccc3nc(CO)cn23)C	1902
+C1CN(CCN1C)c2ccc(c(Br)c2)[N+]([O-])=O	34
+C1CN(CCN1C=2c3cc(C)sc3Oc4c(N=2)ccc(c4)[N+](=O)[O-])C	6700
+c1ccccc1-c2c3ccccc3nc(N4CCN(CC4)C)n2	549
+c1cc(ccc1)CNC(=O)c2cnc(N3CCN(CC3)C)cc2-c4c(C)cccc4	43
+C1CN(CCN1C)c2c(cccc2)-c3ccc(cc3)Cn4ccc5cc(ccc45)C	79
+C1CN(CCN1C)Cc2ccc(cc2)-c3c(cc(cc3)CCC(OCC)=O)OCCCOC	48
+C1CN(CCN1C(c2cc(OC)c(cc2)Nc3nc(cnc3)-c4ccc(cc4)O)=O)C	30
+C1CN(CCN1C(c2ccc(cc2)-c3nc4n(ncc4)c(NCc5c(cc(cc5)Cl)Cl)c3)=O)C	30
+C1CN(CCN1C(C(CCCC(=O)OC)NC(=O)c2ccc(cc2)F)=O)C	10
+c1cc(ccc1C(Nc2ccc(c(c2)C(OC)=O)C)=O)CN3CCN(CC3)C	171
+C1CN(CCN1C(c2ccc(cc2)Nc3nc(Cl)ccc3C(=O)N)=O)C	30
+C1CN(CCN1CC2=CC(c3ccc(cc3)S(C)=O)=NN(C2=O)CC4CC4)C	3909
+C1CN(CCN1C)C(=O)c2ccc3CN(c4c(cccc4)Cn23)C(c5ccc(cc5)C6CCCCC6)=O	147
+C1CN(CCN1C(=O)c2ccccc2-c3ccc(cc3)CN(C(=O)CCCC)c4ccccc4)C	30
+C1CN(CCN1c2nc(C)nc3c2nc(-c4c(cccc4)F)n3-c5ccc(cc5)Cl)C	1310
+c1cc(ccc1F)-c2cc(no2)C(NCCC(=O)N3CCN(CC3)C)=O	10
+c1cc(ccc1N2CCN(CC2)C)C(=O)Nc3c(nc(Nc4c5ccccc5ncc4)s3)C(N)=O	34
+C1CN(CCN1c2ccc(cc2)C(Nc3c(nc(Nc4cc5cccnc5cc4)s3)C(N)=O)=O)C	34
+C1CN(CCN1C)CCCOc2ccc(cc2)NC=C3c4ccccc4NC3=O	183
+C1CN(CCN1c2ccc(cc2)C(Nc3sc(nc3C(N)=O)Nc4ccc(cc4)OC)=O)C	34
+c1cc(ccc1O)CCNc2nc(-c3cc(CN4CCN(CC4)C)ccc3)ccn2	48
+c1cc(ccc1OCCCN2CCN(CC2)C)Br	28
+c1cc(ccc1S(=O)(=O)N(c2c(CN3CCN(CC3)C)cccc2C(=O)OC)C)OC	131
+C1CN(CCN1C)c2c(CCCCCC)c(c(c3n2c4c(cccc4)n3)C#N)C	6701
+C1CN(CCN1C)CC(c2ccccc2)O	170
+c1ccccc1COC(NC2CCC(N3CCN(CC3)C)CC2(C)C)=O	85
+C1CN(CCN1c2nc(C)c(s2)C(N(Cc3c4c(nc(c3)O)cccc4)c5ccccc5)=O)C	641
+C1CN(CCN1C(c2n[nH]c(-c3cnc(nc3)Oc4ccccc4)c2)=O)C	147
+C1CN(CCN1Cc2nc3c(o2)cc(cc3)-c4c5c(cc(F)cc5)n(S(=O)(=O)c6ccccc6)c4)C	960
+C1CN(CCN1Cc2oc3ccc(cc3n2)-c4c5c(cc(F)cc5)n(S(=O)(=O)c6ccccc6)c4)C	960
+C1CN(CCN1CCn2nc(c(c2)-c3ccncc3)-c4cccc(N(S(=O)(=O)c5c(F)ccc(F)c5)COC)c4F)C	1306
+C1CN(CCN1CC=Cc2cc3c(c(Nc4cc(c(Sc5n(C)ccn5)cc4)Cl)c(cn3)C#N)cc2)C	3857
+C1CN(CCN1C)c2cc(-c3nc(sc3)Nc4cccc(c4)C)ccn2	323
+C1CN(CCN1C)c2c(F)cc3c(nc(cc3CO)O)c2	2074
+c1nc(ncc1-c2cc(c(CN3CCN(CC3)C)cc2)F)N4CCOC(Cn5c6nc(-c7cn(C)nc7)cnc6nn5)C4	48
+C1CN(CCN1C2=Nc3c(N(c4cscc24)C)cccc3)C	6702
+FC(F)(F)c1c(ccc(NC2CCC(CC2)OCC(N3CCN(CC3)C(C4Oc5ccc(Cl)cc5C4)=O)=O)c1)[N+]([O-])=O	10
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CCC(CC2)C)C(=O)Nc3ncc(CN4CCN(CC4)C(CC(=O)OC)=O)s3	2075
+CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)C(CN2C(c3c(cccc3)S2)=O)=O	10
+C1CN(CCN1C(CNC(=O)c2ccc(cc2)Oc3ccccc3)=O)C(c4ccc(cc4Cl)Cl)=O	30
+C1CN(CCN1CCn2ccc3c4nc(-c5occc5)nn4c(nc23)N)C(Cc6ccc(cc6F)F)=O	123
+CC(C)(C)OC(=O)N1CC(CC1)N2CCN(CC2)C(=O)Nc3cc(Cl)c(Cl)cc3	85
+c1cc(ccc1N2CCC(CC2)O)NC(=O)N3CCN(CC3)C(=O)c4cccn4C	6703
+C1CN(CCN1C(=O)c2cccs2)c3c4c(ncc(c4)F)nc(c3C(=O)OCC)O	1635
+C1CN(CCN1C(=O)c2cccs2)c3c4cc(cnc4nc(O)c3C#N)F	1635
+C1CN(CCN1C=2c3ccccc3N(C(=O)C=2C#N)Cc4ccc(cc4)F)C(c5cccs5)=O	1636
+C1CN(CCN1C(c2cccs2)=O)c3c4c(nc(O)c3C#N)cccc4	264
+CC(C)(C)OC(N1CC(C1)N2CCN(CC2)C(c3sccn3)=O)=O	85
+FC(F)(F)c1csc(n1)N2CCNCC2	6704
+C1CN(CCN1C(C)(C)C(N)=O)Cc2nc3c(nc(Cl)nc3cc2)N4CCOCC4	596
+c1cc(ccc1Cl)OCC(N2CCN(CC2)C(C=3N(c4ccccc4O)C(c5c(cccc5)N=3)=O)C)=O	58
+C1CN(CCN1)C(C)C=2N(C(=O)c3c(cccc3)N=2)c4ccccc4O	5
+C1CN(CCN1)C(C)C=2N(c3c(OC)cccc3)C(=O)c4c(cccc4)N=2	6705
+C1CN(CCN1C(COc2ccc(cc2)Cl)=O)C(C=3N(C(=O)c4ccc(cc4N=3)[N+](=O)[O-])c5ccccc5OCC)C	10
+C1CN(CCN1C(C#Cc2cccc(c2)Cl)CC)C(=O)OCCOC	66
+C1CN(CCN1C(OCC(NC)=O)=O)c2ncc(cc2)[N+](=O)[O-]	43
+C1CN(CCN1C(OCC)=O)C2Cc3c(Sc4ccc(SC)cc24)cc(cc3)OC	1148
+C1CN(CCN1C=2c3c(ccc(C)c3)Oc4c(C=2)cc(cc4)C)C(OCC)=O	6706
+C1CN(CCN1C(OCC)=O)CCCCCCCCCC	123
+C1CN(CCN1c2c(F)cc([N+](=O)[O-])c(F)c2CO)C(=O)OCC	34
+C1CN(CCN1C(=O)OCC)C2Cc3c(ccc(c3)C)Sc4ccccc24	1148
+c1cc(ccc1C(N2CCN(CC2)C(=O)OCC)c3c(cccc3)Cl)Cl	2073
+c1ccccc1N(c2ccccc2)CC(=O)N3CCN(CC3)C(c4ccc(cc4)Cl)c5ccccc5	10
+c1cc(ccc1)C(=O)N2CCN(CC2)C3(Cc4cccc(Cl)c4)c5ccc(cc5NC3=O)Cl	115
+C1CN(CCN1CCN2CCOC2=O)C3c4ccccc4Sc5c(C3)cc(cc5)C	53
+c1cc(ccc1F)C(CN2CCN(CC2)C(=O)c3cc(C)n[nH]3)=O	147
+C1CN(CCN1CC(=O)c2ccc(cc2)F)C(c3c4nccn4ccc3)=O	6707
+C1CN(CCN1CC(COc2ccc3c(nc(s3)C)c2)O)CC4CN(c5ccc(cc5)F)C(C4)=O	28
+C1CN(CCN1)CCN(C2CCc3ccc(OC)cc3C2)CCC	15
+c1cc(ccc1C=Cc2cccc(c2)-n3c(CC)c(C(=O)N4CCN(CC4)CC5CCN(CC5)C)c(CC)n3)Cl	1020
+c1cc(ccc1S(=O)(=O)C)CCCN2CC(CCC2)CN3CCN(CC3)C(=O)Nc4ccc(F)c(Cl)c4	326
+FC(F)(F)c1c(ccc(NC2CCC(CC2)OCC(=O)N3CCN(CC3)CC4Cc5ccccc5O4)c1)[N+]([O-])=O	10
+CC(C)(C)OC(=O)N1CC=C(C(c2ccc(cc2)F)C(=O)N3CCN(CC3)CCCCc4cccc5ccccc45)CC1	3437
+C1CN(CCN1C(C)=O)CCCOc2cc(OC3CCOC3)c4c(ncnc4c2)Nc5cc(c(F)cc5)Cl	319
+C1CN(CCN1C(C)=O)CCCOc2cccc3c2CCC(=O)N3	319
+C1CN(CCN1C(=O)N2CC(C(C)Oc3ccc(cn3)Cl)C(c4cc(c(Cl)cc4)Cl)C2)CCN(C)C	776
+c1cc(ccc1N2CCN(CC2)CCN(C)C)C=O	34
+C1CN(CCN1)CCN(C2Cc3cc(ccc3CC2)O)CCC	5
+C1CN(CCN1Cc2ccc3c(cc[nH]3)c2)CCN(C4Cc5cc(O)ccc5CC4)CCC	48
+C1CN(CCN1c2ccnc3c2cccc3OC)CCN(C4Cc5cc(ccc5CC4)O)CCC	264
+CC(C)(C)OC(=O)N1CCN(CC1)CCO	23
+C1CN(CCN1CCO)C2Cc3c(c(OC)c([N+](=O)[O-])cc3)CCC2	85
+C1CN(CCN1CCO)c2cc(nc(C)n2)Cl	54
+C1CN(CCN1c2ncc(s2)C(OC)=O)CCO	641
+C1CN(CCN1CCO)CCCn2c3c(nc2OC)c(nc(OCCCC)n3)N	53
+c1cc(ccc1C(=O)N2CCN(CC2)CCO)C(N3CCN(CC3)c4c(NC(C)C)cccn4)=O	30
+c1cc(ccc1COC(N2C(CC(C2)SCc3ccc(cc3)OC)C(N4CCN(CC4)CCO)=O)=O)[N+](=O)[O-]	10
+c1cc(ccc1SC)CN2CCN(CC2)CCO	171
+c1ccccc1-n2c(N3CCN(CC3)CCO)c(c4c2cccc4)C=O	2646
+C1CN(CCN1CCO)c2nnc3ccc(F)cn23	3632
+C1CN(CCN1CCO)c2nc(cnc2)NC(NCC)=O	317
+C1CN(CCN1CCc2cc(Nc3ncc4CC(c5c(cccc5)-c4n3)c6c(cccc6)F)ccc2)CCOC	123
+c1cc(ccc1Cl)N2CCC(C2=O)CN3CCN(CC3)CCOCC#C	6708
+C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F	61
+C1CN(CCN1c2nc3c(cncc3)nc2Cl)Cc4ccc(cc4F)F	1322
+C1CC(CCC1)C(C)NC(c2c3ccccc3nc(c2CN4CCN(CC4)C(=O)Cl)-c5cccs5)=O	6709
+C1CN(CCN1Cc2cncc(C(=O)OC)c2)Cc3c(cccc3)F	48
+C1CN(CCN1C(=O)ON2C(CCC2=O)=O)Cc3ccc(Cl)cc3N4Cc5ncnn5CC4	613
+FC(F)(F)c1ccc(cc1)-c2nc(CN3CCN(CC3)Cc4ccc(c(OC)c4OC)OC)c(C)n2C	879
+C1CN(CCN1C(c2cc(ccc2)OCc3ccccc3)c4ccc(cc4)Cl)Cc5cccc(c5)C	2073
+C1CN(CCN1C(c2ccccc2)=O)Cc3nc(N=C4SC(=CN4COC)Br)ccc3	115
+c1cnccc1CN2CCN(CC2)c3c(Br)cnc(N)c3[N+]([O-])=O	264
+C1CN(CCN1C)Cc2nc3c(ccc(F)c3)cc2C(C)Nc4ncnc(N)c4C#N	1022
+C1CN(CCN1c2c(C)cc(cn2)C)C(=O)c3ccc(cc3Cl)Br	1997
+C1CNCCN1c2c(cc(c(N)c2)N)F	0
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cc3NC(=S)Nc3c2)F	23
+C1CN(CCN1CCC#N)c2cc(ccc2OC(C)C)F	987
+FC(F)(F)CCN1CCN(CC1)c2c([N+]([O-])=O)cc(c(c2)Cl)Cl	28
+C1CN(CCN1c2c(c(C)ccc2)C)CCC3CO3	28
+CC1(C)CC(C)(C)CC(c2c(cccc2C)N3CCN(CC3)CCC)=C1	61
+C1CN(CCN1Cc2cnc([nH]2)-c3ccccc3)c4c(cc(C(=O)OCC)c(n4)C)C#N	879
+C1CN(CCN1c2ccccc2OCCC)CCCCN3C(=O)NC(=O)c4c3cccc4	53
+C1CN(CCN1c2c(COC)cccn2)C(=O)C3Oc4ccccc4OC3	58
+C1CN(CCN1c2ccc(cc2)C#N)c3c(nc(nc3C)N)N	34
+C1CN(CCN1c2c3CCC(N4c3c(C(C(C(=O)O)=C4)=O)cc2F)C)Cc5ccc(cc5)[N+]([O-])=O	131
+C1CN(CCN1c2c3ccsc3ccc2)CCCOc4n(C)nc(C(=O)OC)c4	53
+CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCN(CC2)c3c4cc(ccc4on3)F	61
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3c([nH]c2)cccn3	23
+c1ccccc1S(=O)(=O)NC(CO)C(=O)N2CCN(CC2)c3cc(C)ccc3C	10
+C1CN(CCN1)c2ccnnc2N(C)C	1288
+C1CN(CCN1c2nc(-c3ccccc3)nc(c2)NCCNC(=O)C)C(=O)c4nc5ccccc5cc4	147
+C1CN(CCN1Cc2cc(cc(OC)c2O)[N+]([O-])=O)c3cc(O)ncn3	48
+C1CN(CCN1c2cc(ncn2)O)Cc3ccccc3C	48
+CC(C)(C)OC(N1CCN(CC1)c2cc([N+]([O-])=O)ccc2OC)=O	23
+c1cc(ccc1)C(c2ccccc2)CCN3CCN(CC3)c4cc(ccc4)C(=O)OCC	28
+C1C(CO1)N2CCN(CC2)c3ncc(-c4nc(OC(C5CNC(=O)C5)C)c6c(c4)ncn6C)cc3	85
+C1CN(CCN1)c2c(N)cc(cc2)C(=O)c3ccccc3C(=O)OC	0
+C1CN(CCN1Cc2cc(OCC)c3c(NC(C(O3)C)=O)c2)c4c(cc(C(NC5CC5)=O)cc4)C	48
+C1CN(CCN1c2cc(OC)c(cc2)Nc3nc(-c4n5c(cccc5)nc4)c(cn3)Cl)C(CC)=O	58
+FC(F)(F)CCN1CCN(CC1)c2ccc(cc2)-c3cccc4c3-c5nc(N)nc(-c6ccc(cc6)F)c5C4=O	183
+c1cc(ccc1N2CCN(CC2)Cc3cc(OC(F)F)c4OC(C(=O)Nc4c3)C)C(NC)=O	48
+C1CN(CCN1CCC#N)c2ccc(cc2)OC	987
+c1cc(ccc1N2CCN(CC2)C(=O)CCCc3c[nH]c4c3cccc4)OC	10
+c1cc(ccc1N2CCN(CC2)C(=O)NCCN(C)C)OC	6710
+c1cc(ccc1OC)N2CCN(CC2)c3ccc(cc3)[N+]([O-])=O	202
+C1CN(CCN1c2ccncc2)c3ccc(cc3)OC	264
+C1CN(CCN1c2ccc(cc2)OCCOC)CCN3C4N=C5N(N)C=NC(=C5N4N(C)C3=O)c6ccco6	236
+C1CN(CCN1C(OCC(=O)OCC)=O)c2ccc(cn2)Br	2655
+C1CN(CCN1c2ccc3cc(OC)ccc3n2)CC4Oc5c(ccc6c5ccc(C)n6)OC4	2510
+c1cc(ccc1)-c2ccccc2CN3CCN(CC3)c4cc(ccc4)C	3910
+CC(C)(C)OC(N1CC(CC1C(N2CCN(CC2)c3nc(ccc3)C)=O)CCNC(=O)C=C)=O	10
+C1CN(CCN1CCCCOc2ccc3c(c2)NC(CCC3(C)C)=O)c4c(Cl)c(ccc4)Cl	28
+C1CN(CCN1c2c(Cl)c(ccc2)Cl)CC#N	1321
+c1ccccc1-n2c3c(c(ncn3)NCCCN4CCN(CC4)c5cccc(Cl)c5Cl)nc2-c6ccccc6	61
+C1CN(CCN1c2cc(ccc2)[N+](=O)[O-])CCC(OCC)=O	1877
+C1CN(CCN1c2cc(ccc2)[N+](=O)[O-])C(=O)c3ccccc3	115
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(c2)Br	23
+C1CN(CCN1C(=O)c2c([nH]cc2)-c3ccccc3)c4cccc(C#N)c4	211
+C1CN(CCN1c2cc(Cl)ccc2)C(c3c(C)c4c(ncnc4s3)O)=O	867
+C1CN(CCN1c2cccc(Cl)c2)CCCC(=O)c3cc4CCC(Nc4cc3)=O	53
+C1CN(CCN1CCC2CC(Nc3ccccc23)=O)c4cccc5c4cc(cc5)OC	53
+C[Si](C)(C)CCOCn1c2nc(nc(O)c2cc1)N3CCN(CC3)c4c(F)cccc4	117
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(O)cccc2	23
+C1CN(CCN1C(OCC(=O)OCC)=O)c2cnc(Br)cc2	2655
+C1CN(CCN1C(c2cc(C=C3SC(N4CCSCC4)=NC3=O)ccc2)=O)c5cccc(n5)Cl	30
+C1CN(CCN1Cc2nccc(OC)n2)c3nc4N(CCCc4c(O)n3)C	566
+C1CN(CCN1Cc2ncc(cc2F)F)c3nc4N(CCCc4c(O)n3)C	1309
+c1ccccc1CC(=O)N2CCN(CC2)c3ccc(c(Nc4ccc(cc4)C(N5CCOCC5)=O)n3)C(=O)N	58
+c1cnccc1-c2cc3[nH]c4c(c3c(c2)OC)nc(N5CCNCC5)nc4OCC	6711
+C1CNCCN1c2nc3ccc(Cl)cc3c4n2nnn4	6712
+C1CN(CCN1C(Nc2nnccc2)=O)c3ccnc(n3)-c4c(F)c(ccc4)F	2076
+C1CN(CCN1Cc2ccc[nH]2)c3ncc(cc3)NC(c4cccc(c4-c5ccc(cc5)C(C)C)C)=O	315
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3ccc([N+]([O-])=O)cn3	115
+c1cc(ccc1F)-c2nc(n(CC(=O)N3CCN(CC3)c4cc(OC)ccn4)n2)-c5ccc(cc5)F	10
+C1COC2(O1)CCCC(C(N3CCN(CC3)c4ncccc4)=O)C2	10
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCN3CCN(CC3)c4ncccc4)OC)OC	183
+C1CN(CCN1c2ncccc2)Cc3cc4ccc(C)cc4cc3	171
+c1cc(ccc1CO)N2C=C(C(OCC)=O)C(c3cc(c(c(Cl)c23)N4CCN(CC4)c5ccccn5)F)=O	34
+C1CN(CCN1c2ncccc2C(OCC)=O)CC3Oc4c(OC3)ccc(c4)F	236
+CC(C)(C)OC(NC(Cc1ccc(c(F)c1)Cl)C(N2CCN(CC2)c3c4c(ncn3)CSC4CC)=O)=O	10
+FC(F)(F)c1ccc(cc1C(N2CCN(CC2)c3ccc4nc(C(=O)OCC)cn4n3)=O)F	115
+C1CN(CCN1c2nnc(C(NCCC3CC3)=O)cc2)C(c4ccccn4)=O	147
+c1cc(ccc1)C(=O)N2CCN(CC2)c3nnc(C(NCCC4CC4)=O)cc3	115
+C1CN(CCN1C(=O)C(c2c[nH]c3c(Cl)ncc(OC)c23)=O)c4nnnn4-c5ccccc5	3911
+C1CN(CCN1C(=O)C(c2c[nH]c3c(ncc(F)c23)Br)=O)c4nnnn4-c5ccccc5	3911
+C1CN(CCN1c2noc3c2cc(cc3)C)CCN4C=Nc5c(c6CCN(Cc6s5)C)C4=O	53
+C1CN(CCN1c2oc(nn2)C3CCC4N(C(=O)N3C4)OCc5ccccc5)C	1022
+O=S(=O)(c1cccs1)N2CCN(CC2)c3sc(cn3)C(OC)=O	1147
+C1CN(CCN1C(C(c2c[nH]c3c(ncc(F)c23)-c4[nH]nc(C(OCC)=O)c4)=O)=O)c5nnnn5-c6ccccc6	6713
+C1CN(CCN1C(C(c2c3c(F)cnc(-n4nc(C)cc4)c3[nH]c2)=O)=O)c5nnnn5-c6ccccc6	6714
+C1CNCCN1c2ccc(cc2)N3C4CN(CC4CC3)C	526
+c1cc(ccc1CCc2ncc(cc2)N3CCN(CC3)C(=O)C)CN=[N+]=[N-]	1298
+C1CN(CCN1C(=O)C)c2ccc(nc2)CCc3ccc(cc3)CCl	229
+c1cc(ccc1)N2CCN(CC2)C(C3N(CC(OC)CC3C(=O)NO)C(=O)OC)=O	909
+c1cc(ccc1Cl)-c2n(C)c3ccc(cc3c2CCC(=O)N4CCN(CC4)c5c(OC)cccc5)Cl	144
+C1CN(CCN1C(=O)CN2c3c(OC2=O)cc(cc3)C#N)c4ccc(Cl)c(c4)OC	6715
+c1cc(ccc1F)N2CCN(CC2)C(Cn3cc(C(OCC)=O)cn3)=O	1114
+FC(F)(F)C(F)(F)C(F)(F)c1nn(CC(N2CCN(CC2)c3ccc(cc3)F)=O)c(C)c1N	1114
+c1cc(ccc1-c2c(Cl)c(nn2CC(N3CCN(CC3)c4ccc(cc4)F)=O)SC)F	1114
+c1cc(ccc1F)N2CCN(CC2)C(Cn3nccc3)=O	1114
+C1CN(CCN1C(CN2c3c(OC2=O)cc(-c4ncon4)cc3)=O)c5ccc(Cl)c(c5)OC	3912
+C1CN(CCN1C(=O)CN2c3c(OC2=O)cc(C(N)=NO)cc3)c4ccc(Cl)c(c4)OC	253
+C1CN(CCN1C(=O)CN2c3c(OC2=O)cc(OCC(=O)O)cc3)c4ccc(Cl)c(c4)OC	3
+c1cc(ccc1)CN2CCN(CC2)C(=O)Nc3nccc(c3)Oc4cnc([N+](=O)[O-])cc4	2077
+C1CNCCN1C(=O)Nc2c(cccc2)C(OC)=O	25
+C1CN(CCN1)C2Cc3cc(ccc3Sc4ccccc24)C	215
+c1cc(ccc1F)C(N2CCN(CC2)C(C)C)CN3CCN(CC3)C(OCC)=O	1148
+c12c(nc(n1)N3CCNCC3)ccccc2	215
+C1CNCCN1c2scc(n2)-c3ccccc3F	62
+C1CN(CCN1C(OCC2N(C)CCOC2)=O)c3ccc(F)cc3F	2078
+C1CN(CCN1C)Cc2ccc([N+](=O)[O-])c(c2)[N+](=O)[O-]	162
+c1cc(ccc1C(OC)=O)C(=O)N2CCN(CC2)c3c(cccn3)NC(C)C	2392
+C1CN(CCN1C(c2ccc(cc2)N)=O)C	0
+c1cc(ccc1)C(=O)N2CCN(CC2)c3cc(c(C(=O)O)cc3)NCc4ccccc4	208
+C1CN(CCN1C(=O)c2ccccc2)c3ccc(C(=O)O)c(N)c3	0
+c1cc(ccc1)CN2C(=O)C(=C(c3cc(F)cnc23)N4CCN(CC4)C(=O)c5cccs5)C(OCC)=O	6716
+C1CN(CCN1C(C(CCCC(O)=O)NC(=O)c2ccc(cc2)F)=O)C	4
+c1cc(ccc1F)C2CC2NC(CCCC(NC(=O)c3ccc(cc3)F)C(=O)N4CCN(CC4)C)=O	9
+c1cc(ccc1C2C(NC(=O)CCCC(NC(=O)c3ccc(cc3)F)C(N4CCN(CC4)C)=O)C2)OC	9
+C1CN(CCN1C(C(c2c[nH]c3c(ncc(F)c23)-c4cc(n[nH]4)C(=O)O)=O)=O)c5nnnn5-c6ccccc6	6
+C1CN(CCN1CC(c2ccc(cc2)F)C=3CCN(C)CC=3)CCCCc4cccc5ccccc45	6717
+C1CN(CCO1)c2nc(nc3ccc(CN4CCN(CC4)C(C)(C)C(N)=O)nc23)-c5cnc(N)cc5	6718
+C1CN(CCN1C(C)=O)C(c2cc(ccc2)-c3c4cc(-c5cc(c(nc5)OC)C#N)ccc4ncn3)=O	391
+C1CN(CCN1C(C)=O)CCCOc2cc3c(c(ncn3)Oc4ccc5[nH]ccc5c4F)cc2OC	185
+C1CN(CCN1C(C)=O)c2cc(C)c(N)c(c2)N	0
+C1CN(CCN1C(=O)C)c2cc3c([nH]c(-c4c(c5ccccc5nc4Cl)Cl)n3)c(C)c2	1637
+CC(C)(C)OC(=O)NCCNC(c1cc(-c2sc(Nc3nccc(N4CCN(CC4)C(=O)C)c3)nc2)cnc1)=O	56
+C1CNCCN1c2cc(c(NS(=O)(=O)C)cc2)C	526
+C1CN(CCN1C(C)=O)c2c(c(OC)c([N+](=O)[O-])cc2)OC	57
+C1CN(CCN1c2cc(C#N)c(cc2)Nc3nc(-c4n5c(cccc5)nc4)c(Cl)cn3)C(C)=O	55
+C1CN(CCN1c2cc(OC)c(cc2)Nc3nc(-c4n5c(cccc5)nc4)c(cn3)Cl)C(C)=O	55
+C1CN(CCN1C(C)=O)c2cnc(N)cc2	161
+FC(F)(F)c1cc(CC(Nc2ncc(N3CCN(CC3)C(C)=O)cc2)=O)ccc1Br	142
+FC(F)(F)c1c(-c2ccnc(c2)C)ncc(CC(Nc3ncc(N4CCN(CC4)C(C)=O)cc3)=O)c1	6719
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)I)=O	142
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(Nc3ncc(N4CCN(CC4)C(C)=O)cc3)=O	372
+c1cc(ccc1Nc2c3nccn3c(cn2)Br)N4CCN(CC4)C(C)C	1638
+C1CN(CCN1C(C23CCC4(C5(C)CCC6C(CCC(O)C6(C)C)(C5CCC4C2C(C(C)=C)CC3)C)C)=O)CC	59
+C1CC1CN2CCN(CC2)c3c(OC)ccc(N)c3	15
+C1CN(CCN1C(C2CCOCC2)=O)Cc3ccc4CN(CCc4c3)C(=O)COc5cnccc5	10
+C1CN(CCN1C)C(=O)CCc2cccc(c2)O	1320
+C1CN(CCN1C(c2cc(F)c(c(F)c2)F)=O)C(=O)CC(=O)O	3
+C1CN(CCN1C(=O)CN2c3c(cc(cc3)OCC(OCC)=O)OC2=O)c4ccc(Cl)c(c4)OC	1845
+C1CN(CCN1)C(=O)CNC(=O)c2ccc(cc2)Oc3ccccc3	25
+C1CN(CCN1C(COC)=O)c2c3c(c(Cl)cc2C(N)C)cccn3	1354
+C1CN(CCN1C(COc2ccc(cc2)Cl)=O)C(C=3N(c4ccccc4OCC)C(=O)c5ccc(N)cc5N=3)C	0
+C1CN(CCN1C(COc2ccc(cc2)Cl)=O)C(C=3N(C(c4ccc(cc4N=3)NC(=O)C)=O)c5ccccc5OCC)C	125
+FC(F)(F)c1ccc(cc1)-c2cnc(N3CCN(CC3)C(OCC(OCC)=O)=O)cc2	89
+FC(F)(F)c1cc(-c2ccc(cn2)N3CCN(CC3)C(OCC(=O)OCC)=O)ccc1	119
+C1CN(CCN1C(OCC(NC)=O)=O)c2cnc(Br)cc2	271
+C1CN(CCN1C(OCC(C)C)=O)c2c3c(nc(-c4c(O)cccc4)n2)ccs3	5
+CC(C)Cc1ccc(N2CCN(CC2)C(OCC(NC)=O)=O)cn1	6720
+C1CN(CCN1c2ncc(cc2)N)C(OCC(NC)=O)=O	13
+C1CNCCN1C2c3cc(SC)ccc3Sc4c(ccc(OC)c4)C2	215
+C1CN(CCN1)CCCCCCCCCC	215
+C1CN(CCN1C(=O)CN)C(OCCCC)=O	334
+c1cc(ccc1)COC(N2CCN(CC2)C(C(NC(c3cc4ccccc4s3)=O)CC(C)C)=O)=O	1816
+C1CC1C(=O)N2CCNCC2	62
+C1CN(CCN1)CC2CN(CCC2)CCCc3ccc(cc3)S(=O)(=O)C	62
+C1CN(CCN1c2c(cc([N+](=O)[O-])c(c2)NC(=O)c3ccc(cc3)OC)Cl)C(c4c(C)onc4-c5ccccc5OC)=O	50
+c1cc(ccc1)-c2ncc(NC(CC(=O)N3CCN(CC3)C(c4cc(F)c(c(F)c4)F)=O)=O)cc2	6721
+C1CN(CCN1C)C(=O)c2ccc(cc2)NC(=O)Nc3ccc(cc3)Br	124
+C1CN(CCN1C(c2ccc(cc2)Nc3nc(-c4ccc(F)cc4F)ccc3C(=O)N)=O)C	140
+c1cc(ccc1)C(N2CCN(CC2)CC(O)=O)=O	3
+C1CN(CCN1C=2c3c(cccc3)N(C(=O)C=2C#N)c4ccccc4)C(c5cccs5)=O	6722
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)C	17
+C1CC(CCC1)C(=O)N(CC2=Cc3ccccc3N(C)C2=O)CC4(N5CCN(CC5)C)COCCCC4	2614
+C1CN(CCN1C)C2CCC(CC2)n3cc(I)c4c3ncnc4N	869
+C1CN(CCN1C)C2CCC(CC2)n3c4ncnc(N)c4c(-c5c(cc(cc5)Oc6ccccc6)C)c3	1311
+c1nc(ncc1Br)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C	55
+C1CN(CCN1C)CC#Cc2cc3c(c(cnc3s2)C#N)Nc4cc(c(Cl)cc4Cl)OC	1990
+C1CN(CCN1CC(NN)=O)C	561
+C1CN(CCN1C)CC(OC)CNC(c2ccc(c3c2CCO3)Nc4nc5c(cn4)N(C)C(C(CC)N5C(C)C)=O)=O	14
+FC(F)(F)c1ccc(cc1)OC(c2ccccc2)CN3CCN(CC3)C	20
+C1CN(CCN1CCC2CC(CCC2(C3C(C4C(C(=C)CC4)(CC3)C)OC(=O)C)C)O)C	59
+Clc1cccc(Cl)c1-c2cc3c(nc(nc3)NCCCN4CCN(CC4)C)nc2N	6723
+C1CN(CCN1C)CCCNC(c2cc(Br)ccc2)=O	93
+c1cc(ccc1NCCCN2CCN(CC2)C)[N+](=O)[O-]	60
+c1cnccc1NC(c2cc(Nc3cccc(c3)C(NCCCN4CCN(CC4)C)=O)ccc2)=O	230
+c1cc(ccc1C)S(=O)(=O)OCCCN2CCN(CC2)C	36
+C1CN(CCN1C)CCCOc2ccccc2Nc3c4c(n(cn4)C5CCCC5)nc(C#N)n3	738
+C1CN(CCN1C)CCCc2c3CCCCc3[nH]c2C=C4C(=O)Nc5ccc(cc45)S(=O)(=O)CC	6724
+C1CN(CCN1C)CCNCc2c(N)ncc(c2)Br	249
+CC(C)(C)OC(=O)C=Cc1cnc2NC(=O)N(Cc2c1)CCN3CCN(CC3)C	1953
+C1CN(CCN1C)CCN2C(=O)Nc3ncc(Br)cc3C2	6725
+FC(F)(F)c1ccc(Cn2c3cccc(c3cn2)NC(=O)c4cnc5cc(OCCN6CCN(CC6)C)ccn45)nc1	466
+C1CN(CCN1Cc2ccc(N)c([N+](=O)[O-])c2)C	0
+C1CN(CCN1C)S(=O)(=O)c2cc(cs2)-c3c(nc(N)s3)C	1176
+C1CN(CCN1Cc2c(ccc(N)c2)N3CCN(CC3)C)C	0
+C1CC1N2c3c(cc(c(N4CCN(CC4)C)c3)F)C(=CC2=O)CO	6726
+O=S(=O)(Cc1c([N+](=O)[O-])c(N2CCN(CC2)C)cc(Cl)c1)c3ccc(cc3)F	1177
+C1CN(CCN1C)c2c3nc(-c4[nH]nc5c4ccc(Br)c5)[nH]c3ccc2	567
+CC(C)(C)OC(N1CCN(C(C)C1)c2ncc(c(OCCN3CCOCC3)c2)Br)=O	6727
+C1CN(CCN1c2nc(N)nc(N3Cc4c(ccc(Br)c4)CC3)c2)C	54
+c1cc(ccc1CNc2nc(F)cc(N3CCN(CC3)C)c2)OC	182
+C1CN(CCN1C)c2cc3c(cc2F)NC(=S)N3	1357
+FC(F)(F)C1(CC1)C(=O)NCc2cc(Nc3nc4c(cc(c(Cl)c4)N5CCN(CC5)C)n3C)c(cc2)Cl	1023
+CC(C)(C)OC(Nc1cccc(N2C(C(=Cc3c2nc(Nc4ccc(N5CCN(CC5)C)cc4OC)nc3)CC)=O)c1)=O	2607
+C1CN(CCN1C)c2ccc(Nc3nc4c(cccc4Br)cn3)c(OC)c2	744
+C1CN(CCN1C)c2cc3c(c(c2)F)C(=O)OC(Cc4ccc5OCOc5c4)=N3	2665
+C1CN(CCN1C)c2ccc(c(-c3ccccc3F)c2)NC(c4oc(cc4)C#N)=O	6728
+c1c(F)cc(cc1Cc2ccc3c(c(NC(=O)c4c(cc(N5CCN(CC5)C)cc4)[N+]([O-])=O)[nH]n3)c2)F	394
+C1CN(CCN1c2cc(N3CCCC(F)C3)c(cc2)N)C	0
+C1CN(CCN1c2cc(cc(c2)Cl)C(=O)O)C	329
+c1nc(ncc1C#Cc2cccc(NC(=O)Nc3cc(cc(F)c3)N4CCN(CC4)C)c2)N	446
+CC1(C)OB(OC1(C)C)c2cccc(N3CCN(CC3)C)c2	2666
+C1CN(CCN1C)c2cc3c(c(c2)C#N)N=CN(c4cc(ccc4C)C(=O)Nc5ccon5)C3=O	650
+C1CN(CCN1C)c2cc3c(c(c2)C#N)N=CN(C3=O)c4c(C)ccc(C(O)=O)c4	1
+c1cc(ccc1)-c2cc3c4ccc(N5CCN(CC5)C)cc4[nH]c3c(c2)C(=O)N	11
+FC(F)(F)COc1ccnc(CSc2nc3cc(N4CCN(CC4)C)c(F)cc3[nH]2)c1C	602
+C1CN(CCN1C)c2ccc(c(OC)c2)Nc3ncc4cccc(-c5cccc(N)c5)c4n3	3738
+C1CN(CCN1C)c2cc(c([N+](=O)[O-])cc2)-c3ccccc3F	11
+C1CN(CCN1c2ccc(c(c2)CS(=O)(=O)c3cccc4ccccc34)N)C	0
+C1CN(CCN1C)c2ccc(cc2C=C)Nc3ncc(c(n3)Nc4c(N(S(=O)(=O)C)C)ccc(Br)c4)Cl	55
+C1CN(CCN1C)c2ccc3c(c2)C(=O)N(C=C3)c4c(C)ccc(C(O)=O)c4	1
+C1CN(CCN1C)c2ccc3c(c2)c(c(C#N)c(n3)N)Cl	120
+C1CN(CCN1c2cc3c(NCc4ccccc4)c(c(N)nc3cc2)C#N)C	105
+C1CN(CCN1C)c2cc(nc(N)n2)N3Cc4cc(-c5cc6N(C(COc6cc5)=O)C)ccc4CC3C	99
+C1CN(CCN1c2cc3n(c(CC)n2)c(CC)nn3)C	6729
+C1CN(CCN1C)c2nc3c(C(C(C(OCC)=O)=CN3CCCl)=O)cn2	1307
+C1CN(CCN1C=2c3c(Nc4ccc(cc4N=2)CN)sc(c3)C)C	107
+C1CN(CCN1C2CC(C2)c3n4ccnc(N)c4c(n3)I)C(=O)C	522
+C1CN(CCN1C)C2CC(C2)c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4F)c7n3ccnc7N	6730
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CCN(CC3)C4CCCC4	372
+C1N(CC1N2CCN(CC2)C(=O)c3sccn3)C(=O)c4cc5CCN(c6ccc(cc6)F)c5cc4	30
+c1cc(ccc1C(N2CC(C2)N3CCN(CC3)C(=O)c4sccn4)=O)Oc5ccccn5	30
+C1CN(CCN1C2COC2)c3c(F)cc(cc3)Nc4nc(ncn4)-c5cc(C#N)c(OC6CCOCC6)cc5	2079
+C1CN(CCN1C2COC2)c3ccc(N)cc3F	0
+C1CN(CCN1C2COC2)c3c(F)cc(Nc4nc(Cl)ncn4)cc3	360
+C1CN(CCN1)C2c3c(ccc(C)c3)Oc4ccc(C)cc4C2	215
+C1CN(CCN1C=2c3c(Nc4c(cc(cc4)CNC(=O)CCC(O)=O)N=2)sc(c3)C)C	4
+C1CN(CCN1C2c3c(ccc(C)c3)Oc4c(cc(cc4)C)C2)C(OCC)=O	6731
+C1CN(CCN1CC#CC(=O)Nc2cc3c(ncnc3cc2)Nc4cc(ccc4)Br)CC	2355
+C1CN(CCN1CCN)Cc2n(CCOCC)c3ncccc3n2	51
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)C(CN3CCN(CC3)Cc4ccccc4)=O)=O	10
+C1CN(CCN1CC(O)c2cc(c(OC)cc2)OC)C=3C(C=CC=CC=3)=O	74
+C1CN(CCN1c2cccc3nc(C)ccc23)CC(C)c4cc(NC(=O)c5c(F)cccc5)ccc4	67
+C1CN(CCN1CC(O)CN)C	102
+C1CN(CCN1CC(COc2cc3ncnc(O)c3cc2OC)OC(=O)C)C	152
+C1CN(CCN1CC(COc2cc3ncnc(Cl)c3cc2OC)OC(=O)C)C	569
+CN(C)C(CN1CCN(CC1)c2cc(OC)c(cc2N)Nc3nc(-c4c5n(nc4)cccc5)c(cn3)Cl)=O	0
+C1CN(CCN1CC2CO2)C(C3CCCO3)=O	2080
+C1CN(CCN1CC(O)CNC(=O)c2ccc(c3OCCc23)Nc4nc5c(cn4)N(C)C(C(CC)N5C(C)C)=O)C	14
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+c1ccccc1Oc2c(N3CCN(CC3)Cc4c(cccc4)-c5ccccc5)cccc2	3910
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+C1CN(CCN1c2cnc(Cl)c3ccc(cc23)OC)C	137
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+C1CN(CCN1c2n(C(C)C)c3c(cc(c(c3)[N+](=O)[O-])Cl)n2)C	6750
+C1CN(CCN1c2n3c(nc(C(C)O)c3)ccc2)C	3920
+C1CN(CCN1c2nc(nc(N3Cc4c(CC3)ccc(c4)-c5cn(C)nc5)c2)N)C	320
+C1CN(CCN1c2c3c(cc(cc3)C(O)=O)nc(N)n2)C	1
+C1CC(CCN1c2nc(N3CCN(CC3)C(=O)CN4CCOCC4)ccc2[N+]([O-])=O)C	224
+C1CN(CCN1C(=O)OC(C)C)c2nc3c(-c4c(nccc4)F)cnn3cc2	6751
+CC(C)OC(=O)N1CCN(CC1)c2ccn3ncc(-c4ccccc4OC)c3n2	2673
+C1CN(CCN1C(=N)OC)c2nc3cc(c(OC)cc3c(N)n2)OC	2641
+C1CN(CCN1c2oc3ccc(C=O)cc3n2)C4CC4	1179
+C1CN(CCN1Cc2ccc(cc2F)F)c3c(nc4cnccc4n3)NC(C)C	1284
+C1CN(CCN1c2cc(c(N)cn2)CC(=O)OCC)C	13
+C1CN(CCN1c2ccc(cn2)C(O)=O)Cc3cc4NC(=O)C5CCCN5c4nc3	6
+C1CN(CCN1c2ccc(cn2)C(O)=O)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3	6
+C1CN(CCN1c2ccc(I)cn2)C(OCC(NC)=O)=O	3884
+C1CN(CCN1)c2ncc(NC(c3cccc(c3-c4ccc(cc4)C(C)C)C)=O)cc2	25
+C1CN(CCN1c2ccc(cn2)N)CC	13
+C1CN(CCN1CCO)c2sc(cn2)C(NO)=O	6752
+C1CN(CCO1)c2nc3N(c4ccnc(N5CCN(CC5)C)c4)CCc3c(-c6cccc(OC)c6)n2	6753
+C1CN(CCN1CC2Oc3c(OC2)ccc(c3)F)c4c(CO)cccn4	351
+CC(C)N(C(C)C)C(=O)c1ccc(C(N2CCN(CC2)c3ncccc3NCC)=O)nc1	211
+C1CN(CCN1c2ncccc2NCC)C(=O)c3ncc(C(=O)O)cc3	1
+C1CN(CCN1C(OCc2ccccc2)=O)c3ncccc3N	13
+c1cc(ccc1C=C2Sc3nc(N4CCN(CC4)c5ncccn5)ncc3NC2=O)[N+](=O)[O-]	1149
+C1CN(CCN1c2ncnc3CCN(CCc23)c4ccc(cc4)C(=O)C)C5CCC5	79
+C1CN(CCN1c2ncnc3c2CCN(C(c4ccccc4)=O)CC3)C5CCC5	115
+C1CN(CCN1c2ncnc3CCNCCc23)C4CCC4	25
+C1CN(CCN1c2nnc(cc2)-c3cc(N)ccc3)C4CC4	0
+c1cc(ccc1)C=CC(=O)Nc2c(CCN3CCN(CC3)c4nsc5c4cccc5)cccc2	324
+c1cc(ccc1N)CCN2CCN(CC2)c3nsc4c3cccc4	0
+C1CN(CCN1c2nnc(o2)C3N4C(=O)N(O)C(CC3)C4)C	2674
+C1CN(CCN1c2nc3cc(CN(C)C)ccc3o2)C4CC4	48
+C1CN(CCO1)CCc2c(ccc(C)c2)[N+](=O)[O-]	15
+C1COCCN1CCc2cc(F)c(cc2)[N+]([O-])=O	15
+C1CN(CCO1)CCc2cn(CC)c3cc(cc(O)c23)F	15
+C1CN(CCO1)C(=O)N2CCN(CCC2)c3nc(N)c4c(n3)cc(OC)c(O)c4	16
+FC(F)(F)c1c(NC)nc(nc1)Nc2c(cc(C(=O)N3CCOCC3)c(C)c2)Cl	55
+FC(F)(F)c1ccc(Nc2c3ccn(C)c3c(cn2)C(=O)N4CCOCC4)c(C)c1	1504
+C1CN(CCO1)C(=O)c2c(cc(N)c(Cl)c2)C	0
+C1CN(CCO1)Cc2ccc(-c3cc(-c4nnn(c4)C(C)C)c(nc3)N)cc2C	162
+C1CN(CCO1)C(=O)c2sc(cc2)-c3nc(ncc3)S(=O)(=O)C	528
+C1CN(CCO1)Cc2ccc(cc2)-c3[nH]c4ncc(c(c4n3)I)Cl	162
+C1CN(CCO1)C(=O)c2ccc(cc2)N=C3C(=O)N(C=C(N3)c4cccc(c4C)N)C	6754
+c1cc(ccc1Nc2c3n(ccn3)cc(-c4cc(C(=O)O)ccc4)n2)C(N5CCOCC5)=O	356
+C1COCCN1C(=O)c2c(c3c(cc(c(c3)O)O)s2)CBr	5
+CC1(C)Cc2[nH]nc(-c3cc4c(cc(N(C)C(=O)C(C)N5CCOCC5)cc4)[nH]3)c2CC1	429
+C1CN(CCO1)C(=O)CCc2ccc(c(c2)-c3nc(O)c4c(nn(CCC)c4n3)C)OCCC	1320
+CC(C)CNCC(=O)N1CCOCC1	1229
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(nc4ccccc34)-c5cc(ccc5)NC(N6CCOCC6)=O)c2	2083
+C1COCCN1C(=O)Oc2c(cccc2OCC=C)C(=O)C	2047
+C1CN(CCO1)C(=O)N2CCN(CCC2)c3nc(N)c4c(cc(c(OCc5ccccc5)c4)OC)n3	549
+FC(F)(F)c1c(NC2CC2)nc(Nc3cc(c(cc3O)C(N4CCOCC4)=O)F)nc1	55
+C1CN(CCO1)C(=O)c2sc3c(cc(c(c3)O)OC)c2CBr	5
+C1CN(CCO1)C(c2c(F)cc(c(O)c2)N)=O	5
+C1CN(CCO1)C(c2cccc(c2)-c3cc4c(c[nH]c4nc3)I)=O	1361
+c1cc(ccc1S(=O)(=O)n2cc(I)c3c2ncc(-c4cccc(c4)C(=O)N5CCOCC5)c3)C	276
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(Cl)cc(cc2)Cl)=O)N3CCOCC3	93
+C1CN(CCC1N2CCOCC2)C(c3ccc(-c4ccnc(c4C#Cc5ccc(N)nc5)CC)cc3Cl)=O	30
+C[Si](C)(C)c1c(c(C=O)c(cc1F)Cl)F	3921
+O=Cc1c(F)cc(C)cc1Cl	3921
+c1cc(ccc1-c2cc(F)c(C=3[Se]C(C=O)=CC=3)cc2)CC	3606
+CC(C)(NC(Cn1c(cc(-c2cnn[nH]2)n1)Cc3ccc(cc3)F)=O)CN4CCOCC4	6755
+c1cc(ccc1-c2ccc(cc2)C(OCC)=O)C(N(C)C(=O)CN3C(COc4cc(c(Cl)cc34)Cl)=O)CN5CCOCC5	10
+FC(F)(F)c1cc(cc(NC(=O)C)c1)CCCN2CCOCC2	2676
+C1CN(CCO1)CCC(c2cc(-c3ccnc(c3)N)ccc2)=O	6756
+C1CN(CCO1)CCCCCCCCCCCCN	3922
+C1CN(CCO1)CCCCCCCCN	3922
+CC(C)(C)C1N2C(c3cc(OC)c(OCCCN4CCOCC4)cc3C1)=CC(=O)C(C(OCC)=O)=C2	72
+C1CN(CCO1)CCCOc2c(cccc2OC)C=O	72
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)OCCCN3CCOCC3	72
+C1COCCN1CCCNC(=O)c2cccc(-c3cc(-c4cc(C)c(cc4)O)nc(O)n3)c2	14
+C1CN(CCO1)CCCNc2nc3cc4c(cc3[n+]([O-])n2)OCCC4	1888
+c1c(Cl)c(c(cc1)Cl)Cc2n(c3ccccc3n2)Cc4ccc(cc4)C(NCCCN5CCOCC5)=O	14
+C1CN(CCO1)CCCNC(Nc2snc(-c3ccc(cc3)[N+](=O)[O-])c2C#N)=O	238
+c1cc(ccc1-c2c(C)ccc(NC(=O)c3ccoc3)c2)C(=O)NCCCN4CCOCC4	14
+C1COCCN1CCCN(C)Cc2ccc(c(Nc3sc(c(-c4cccc(c4)Cl)n3)C(N)=O)c2)[N+]([O-])=O	48
+C1CN(CCO1)CCCNC(Nc2snc(c2C(=O)N)-c3ccc(cc3)N)=O	0
+C1CN(CCO1)CCCNC(Nc2c(c(-c3ccc(cc3)[N+](=O)[O-])ns2)C(=O)N)=O	1856
+FC(F)(F)c1cc(c(cc1)F)NC(=O)Nc2ccc(cc2)-c3nsc(c3C(=O)N)NC(=O)NCCCN4CCOCC4	124
+C1CN(CCO1)CCCNC=2[N+](=O)c3cc4CCCOc4cc3N(N=2)[O-]	6757
+C1CN(CCO1)CCCOc2cc3ccc(C#C)cc3cc2	20
+c1cc(ccc1C)S(=O)(=O)OCCCN2CCOCC2	36
+c1ccccc1COc2ccc(cc2)-c3cc(nnc3CCCC)OCCCN4CCOCC4	485
+c1ccccc1CCNCc2c(OCCCN3CCOCC3)c(OC)ccc2	1172
+C1CN(CCO1)CCCOc2c(cc3c(c2)ncnc3N(c4ccc(F)c(c4)Cl)C(C)=O)N	0
+C1CN(CCO1)CCCOc2c(C=NCCc3ccccc3)cccc2OC	853
+C1CN(CCO1)CCCOc2c(ccc(C)c2)O	5
+C1CN(CCO1)CCCOc2cc(c(cc2)C)N	0
+C1COCCN1CCCOc2cc3c(c(Oc4cc(n[nH]4)-c5cc(c(cc5)OC)OC)ncn3)cc2OC	6758
+C1CN(CCO1)CCCOc2c([N+]([O-])=O)cc3c(N(C(C)=O)c4ccc(F)c(c4)Cl)ncnc3c2	3292
+C1CN(CCO1)CCCOc2c(c(c(cc2)C3=NCCN3)N)OC	3923
+C1CN(CCO1)CCCOc2ccc(C#N)c(N)c2OC	0
+C[Si](C)(C)c1nn(-c2ccc(cc2)OCCN3CCOCC3)c(C(=O)OCC)c1	72
+C1CN(CCO1)CCOc2ccc([N+](=O)[O-])c3ccccc23	72
+C1CN(CCO1)CCOc2c(ccc([N+]([O-])=O)c2)OC	72
+c1cc(ccc1-c2cn3c4c(sc3n2)cc(cc4)OCCN5CCOCC5)[N+](=O)[O-]	72
+C1CN(CCO1)CCCn2ccc3c(N)cccc23	0
+C1COCCN1c2nc3sc4c(ncnc4NCCN5CCOCC5)c3c6CC(C)(C)N(Cc26)C	3925
+C1CN(CCO1)CCN2CC(OC2=O)CO	6759
+C1CN(CCO1)CCNc2ncc3ncc(c(c3c2)Nc4cccc(C(C)C)c4)C#N	182
+C1CN(CCO1)CCNC(=O)Nc2ccc3c(c2)ccc(n3)NC4CCc5c4cccc5	675
+O=S(=O)(c1c[nH]c(C(=O)c2c(nccc2)Cl)c1)NCCN3CCOCC3	1362
+C1CN(CCO1)CCNc2c3c(c(ccc3)-c4c(cc(cc4C)C)C)nc(C)c2	105
+c1cc(ccc1Nc2nc3c(C=C(c4c(cccc4Cl)Cl)C(N3C)=O)c(N)n2)NCCN5CCOCC5	250
+C1CN(CCO1)CCNC(=O)c2c(Nc3ccc(I)cc3F)cnc(Br)c2	14
+C1CN(CCO1)CCNc2nccn3c(cnc23)-c4nc(ccc4)Br	3926
+C1CN(CCO1)CCNC2=C(c3ccccc3)S(=O)(=O)N(CCCC)C2=O	1904
+c1nc(ncc1Br)NCCN2CCOCC2	96
+C1CN(CCO1)CCNc2ncc(cn2)NC(c3cc(ccc3C)[N+]([O-])=O)=O	6760
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CC4OC(N(CCN5CCOCC5)C4)=O	6761
+C1CN(CCO1)CCN2C(OC(COS(=O)(=O)c3ccc(cc3)C)C2)=O	6762
+C1CN(CCO1)CCNc2nc3cnc4c(c3n2C(C)COC)cc(OC)c(-c5c(noc5C)C)c4	6763
+C1CN(CCO1)CCNC(=O)c2ccc3cc([nH]c3c2)C(=O)N4c5c(ccc([N+](=O)[O-])c5)C(CCl)C4	2677
+C1CN(CCO1)CCNc2c(cccc2C=O)F	39
+CC(C)(C)CCN=Cc1c(NCCN2CCOCC2)c(ccc1)F	853
+C1CN(CCO1)CCNc2c(CO)cccc2F	98
+CC(C)(C)OC(=O)NCCC(c1ccccc1)Nc2nccc(n2)-c3n[nH]c4nc(NCCN5CCOCC5)ncc34	435
+CC(C)(C)c1cc(no1)NC(Nc2ccc(cc2)-c3c4cnc(nc4n(C)n3)NCCN5CCOCC5)=O	446
+C1CN(CCO1)CCNc2ncc(cn2)C#Cc3c(C)ncc(c3)NC(c4cc(ccc4)C(C#N)C)=O	487
+C1CN(CCO1)CCNc2nc3n(C)nc(c3cn2)-c4ccc(cc4)N	6764
+CC(C)(C)OC(NCCC(c1cc(Cl)ccc1)Nc2nc(-c3n4ccnc(c4nc3)NCCN5CCOCC5)ccc2)=O	340
+c1cc(ccc1C(N)=O)C(=O)C=Cc2cc(-c3cccs3)c(OC)cc2OCCN4CCOCC4	307
+C1CN(CCO1)CCOc2cc(ccc2O)[N+](=O)[O-]	5
+C1CN(CCO1)CCOc2c3ccccc3c(NC(c4cc(-c5ccc(cc5C)F)ccc4)=O)cc2	11
+C1CN(CCO1)CCOc2c3ccccc3c(NC(c4cc(-c5c(cccc5)F)ccc4)=O)cc2	11
+C1CN(CCO1)CCOc2c(O)ccc(N)c2	0
+CC(C)(C)OC(N1CC(N(c2cc(OCCN3CCOCC3)ccn2)CC1)C)=O	43
+C1CN(CCO1)CCOc2c(cc3c(c(Nc4c(cc(Cl)c(OC)c4)Cl)c(cn3)C#N)c2)F	179
+C1CN(CCO1)CCOc2ccc(NC(=O)c3cccc(c3)OC)cc2-c4ccnn4C	50
+C1CN(CCO1)CCOc2ccc(c3c2cccc3)N	0
+C1CN(CCO1)CCOc2ccc(N)cc2-c3n(C)ncc3	0
+CC(C)(C)c1cc(c(c(c1)NC(C(=O)c2c3ccccc3c(cc2)OCCN4CCOCC4)=O)OC)Cl	2678
+C1CN(CCO1)CCOc2c3ccccc3c(NC(c4cccc(Br)c4)=O)cc2	67
+C1CN(CCC1O)c2cc(C(=O)Nc3ccc(c4ccccc34)OCCN5CCOCC5)ccn2	43
+C1CN(CCO1)CCc2cc(ccc2N)C	0
+C1CN(CCO1)Cc2[nH]c3cccc4C5CC(CN(C#N)C5Cc2c34)COC	21
+C1CN(CCO1)Cc2[nH]c3c4c(C5CC(CO)CN(C#N)C5Cc24)ccc3	88
+C1CN(CCO1)Cc2cc(ccc2)-c3cncc4cc(oc34)C=C5C(=O)NC(=O)S5	2025
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2F)CN3CCOCC3	17
+C1CN(CCO1)Cc2cc(-c3cncc4c3oc(C=O)c4)ccc2	2084
+C1CN(CCO1)Cc2cc3C(C(C(NCc4ccc(cc4)Cl)=O)=CN(C)c3cn2)=O	1267
+CC(C)(C)OC(N1CC(C1)Oc2cc(c(cc2)CN3CCOCC3)OC)=O	624
+C1CN(CCC1N2CCCCC2)c3ccc(cc3)CN4CCOCC4	85
+c1cc(ccc1Sc2ccc(cc2)C(=O)NC(C(O)C)C(=O)OC)CN3CCOCC3	259
+C1CN(CCO1)Cc2ccc(cc2)Sc3ccc(cc3)C(=O)O	1
+c1cc(ccc1)-c2oc(C(N3CC(C3)Oc4cc(c(cc4)CN5CCOCC5)OC)=O)nn2	3618
+c1cc(ccc1)CC(NC(=O)c2cccnc2-n3nc(CN4CCOCC4)cc3)C(=O)C(N)=O	1363
+C1CN(CCO1)Cc2ccn(-c3c(C(O)=O)cccn3)n2	6
+C1CN(CCO1)Cc2ccn(-c3c(C(=O)NC(Cc4ccccc4)C(C(=O)N)O)cccn3)n2	56
+C1COCCN1Cc2ccc(o2)C(=O)Nc3sc4c([nH]nc4n3)-c5c(cccc5)Br	6765
+C1CN(CCO1)S(=O)(=O)c2cccc(c2)C(=O)OC	47
+C1CN(CCO1)S(=O)(=O)c2cc(ccc2)C(NN=C(C)c3c(ccc(Cl)c3)Cl)=O	2085
+O=S(=O)(N1CCOCC1)c2cc(ccc2)C(NN=C(c3c(F)c(Cl)ccc3)C)=O	2085
+C1CN(CCO1)S(=O)(=O)c2ccc(cc2)C=Cc3cc(O)c(cc3)O	241
+CC(C)(C)c1cc(Nc2n(C)c3c(cc(Nc4ccnc(n4)Nc5cccc(c5)S(=O)(=O)N6CCOCC6)cc3)n2)no1	55
+C1CN(CCO1)S(=O)(=O)c2cccc(N)c2	0
+C1CN(CCO1)S(=O)(=O)c2cc(ccc2)C(NN)=O	296
+C1CN(CCO1)c2ccc(-c3nc(no3)-c4ccccc4OC)cc2C	910
+CC(C)(C)OC(N(Cc1c(ccc([N+]([O-])=O)c1)N2CCOCC2)C)=O	23
+C1CN(CCO1)c2c(OC)nnc(c2)Cl	485
+n1cc(cnc1C(C)Nc2nc(Nc3cc(n[nH]3)C)c(c(N4CCOCC4)n2)F)F	3927
+C1COCCN1c2c(OC(C)C)ncc(Br)c2	430
+C1COCCN1c2c(nnc(-c3c(C)ccc(c3)N)c2)OC	746
+C1COCCN1c2c(OCCOC3CCCCO3)ncc(c2)-c4c(C)ccc(c4)N	156
+C1CN(CCO1)c2c(c(c(s2)C(O)=O)C(c3cc(c(Cl)cc3)Cl)CCO)C#N	6
+C1CN(CCO1)c2c(c(nc(-c3cc(ccc3)OCC(CNC)O)n2)NC4COCC4)C	122
+C1CN(CCO1)c2c(c(nc(-c3cc(ccc3)OCC4OC4)n2)NC5COCC5)C	72
+C1CN(CCO1)c2c(C)cc(C(O)=O)cc2	1
+C1COCCN1c2ccc(C=Cc3n[nH]c4ccccc34)cc2[N+](=O)[O-]	6766
+C1COCCN1c2c(cccc2)OCC(=O)OCC	52
+c1ccccc1Oc2nc(c(nc2)N)N3CCOCC3	6767
+C1CN(CCO1)c2c3c(c4c(sc5c(Cl)ncnc45)n2)CC(C)(C)N(C)C3	2679
+C1COCCN1c2c3ccc(-c4cccc(c4)S(=O)(=O)C)cc3nc(n2)-c5ccc(nc5)N	1323
+C1COCCN1c2nc(Cl)nc3n(c(nc23)C=O)CC	6768
+C1CN(CCO1)c2nc(nc3c2cc(cc3OCCO)-c4c(c(ccc4)NS(=O)(=O)CCC)F)-c5ccc(N)nc5	1323
+C1CC(CCN1C)N(c2sc3c(nc(-c4cnc(N)cc4)nc3n2)N5CCOCC5)C	6769
+c1cc(ccc1)OC(Nc2nc3c(OC)cnc(N4CCOCC4)c3s2)=O	810
+C1CN(CCO1)c2c3nc(CN4CCN5CCOCC5C4)n(C6OCCCC6)c3nc(Cl)n2	566
+C1COCCN1c2nc(nc3sc(C=O)cc23)Cl	968
+CC(C)(C)OC(=O)Nc1ncc(cn1)-c2nc3c(c(N4CCOCC4)n2)ncc(-c5cccc(c5)N)c3	2680
+CC(C)(C)OC(=O)Nc1ncc(cn1)-c2nc(c3ncc(cc3n2)-c4ccc(cc4)C(=O)NC5CC5)N6CCOCC6	2680
+C1COCCN1c2nc(nc3cc(sc23)CO)Cl	1364
+C1COCCN1c2c3c(cc(CN4CCC5(CC4)CNC5=O)s3)nc(Cl)n2	509
+FC(F)(F)S(=O)(=O)N1CCN(CC1)Cc2cc3c(c(N4CCOCC4)nc(Cl)n3)s2	509
+C1COCCN1c2c3sc(cc3nc(Cl)n2)CNC	1466
+C1CN(CCO1)c2nc(nc3cc(sc23)-c4cc(ccc4)C(=O)O)Cl	6770
+C1CN(CCO1)c2cc(c3c(n(c(n3)C)Cc4cc(ccc4)Cl)c2)Br	505
+C1COCCN1c2cc(B(O)O)c3c(c2)n(c(n3)CF)Cc4cccc(Cl)c4C	6771
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1[N+](=O)[O-])N2CCOCC2	19
+c1cc(ccc1OC)COc2cc(cc(Cl)n2)N3CCOCC3	91
+Fc1cc(cc(F)c1N)N2CCOCC2	0
+C1COCCN1c2ccc(c(Nc3c4c(nc(-c5ccccc5F)c3C)cccc4)c2)C#N	179
+C1COCCN1c2cc(N)c(C3=NCCN3)cc2	2086
+FC(F)(F)c1[nH]c2c(c(cc(c2)N3CCOCC3)C(=O)OC)n1	1640
+C1COCCN1c2cc3c([nH]c(n3)C(F)F)c(C(=O)OC)c2	442
+C1CN(CCO1)c2ncc(I)c(N)c2	625
+C1CN(CCO1)c2c3c(nc(N)s3)c(cn2)OC	3928
+C1CN(CCO1)c2cc(c(C(=O)N)c(C)c2)S(=O)(=O)CC	2681
+c1cc(ccc1CNC(=O)c2c(cc(cc2C)N3CCOCC3)S(=O)(=O)CC)Cl	6772
+c1cc(ccc1CNC(=O)c2c(O)cc(cc2F)N3CCOCC3)Cl	5
+C1CN(CCO1)c2cc3c(nc(C)n3Cc4cc(ccc4)Cl)c(B(OC)OC)c2	6773
+C1COCCN1c2nc(c([N+]([O-])=O)c(Cl)c2)Cl	1026
+C1COCCN1c2cc(cc(N3CCOCC3)c2)N	0
+C1CN(CCO1)c2cc(N)ccn2	0
+CC(C)(C)OC(N1CCC(CC1)(S(=O)(=O)C)c2cc(N3CCOCC3)nc(n2)Cl)=O	1365
+CC1(C)c2c(N(c3c4c(ccc(Cl)c4)nc5C(C)(C)CCc35)C1)cc(N6CCOCC6)cc2	6774
+C1COCCN1c2ccc3c(c2)N=C(N)C4CCCC34	6775
+C1CN(CCO1)c2cc3c(c4c(c(cc(-c5cnn(C)c5)n4)C(=O)N)[nH]3)cc2	6776
+C1CN(CCO1)c2cc3c(cc2)c4nc(cc(C(=O)N)c4[nH]3)-c5cc(cnc5)C	6777
+C1COCCN1c2cc3n(Cc4cc(ccc4)Cl)c(C)nc3c(B(O)O)c2	493
+C1CN(CCO1)c2cc3c(nc(C)n3Cc4cc(ccc4)Cl)c(B(OC)O)c2	493
+C1COCCN1c2cc3c(nc(C)n3Cc4cccc5c4cccc5)c(C(=O)O)c2	1
+C1CN(CCO1)c2ccc(Nc3ncc(Br)n4ncnc34)c(c2)F	6778
+C1COCCC1Oc2ccc(cc2C#N)-c3ccnc(Nc4ncc(cc4)N5CCOCC5)n3	1618
+C1CN(CCO1)c2ccc(c(c2)F)Nc3c4ncnn4c(cn3)-c5c[nH]nc5	6779
+C1COCCN1c2ccc(c(C=O)c2)[N+](=O)[O-]	494
+C1COCCN1c2c(cc(N)cc2)C	0
+C1COCCN1c2cc(C(NC)=O)c(N)cc2	0
+C1COCCN1c2ccc(OC)c3nc(-c4[nH]c5ccccc5n4)sc23	6780
+C1CN(CCO1)c2ccc(c3c2sc(NC(Cc4ccccc4)=O)n3)OC	290
+c1cc(ccc1)OC(=O)Nc2sc3c(ccc(OC)c3n2)N4CCOCC4	810
+c1ccccc1C=2CCN(CC=2)C(=O)c3cc([N+](=O)[O-])ccc3N4CCOCC4	6781
+C1CN(CCO1)c2ccc(cc2C(Cl)=O)[N+]([O-])=O	82
+c1c(OC)c(c(cc1Nc2nn3c(nc(C)c3cn2)-c4cc(Nc5cc(Cl)c(N6CCOCC6)cc5)ccc4)OC)OC	230
+C1CN(CCO1)c2ccc(cn2)Nc3c(C(N)=O)c(N)[nH]n3	6782
+C1CN(CCO1)c2ccc(cn2)Nc3[nH]nc(c3C(N)=O)NCc4ccc(cc4)O	811
+C1CN(CCO1)c2cc3c(C4CCCC4C(=S)N3)cc2	199
+C1CN(CCO1)c2ccc3N(C(=O)C)C(C(C(Nc4ncc(cc4)C#N)c3c2)C)C5CC5	340
+C1CN(CCO1)c2cc3c(cc2)c4nc(Br)cc(C(=O)N)c4[nH]3	2682
+C1CN(CCO1)c2nc(NC(=O)c3n4c(nc3)ccc(-c5c(cccc5)OCC6OC(C)(C)OC6)n4)ccc2	2683
+C1CN(CCO1)c2cccc(Oc3cnc(cc3)Nc4ccc(F)c(OC)c4F)c2	201
+C1CN(CCO1)c2c(cccc2)O	5
+CC(C)(C)OC(N1CCN(CC1)c2nc3c(c(c2C)Nc4cc(cnc4)N5CCOCC5)c(cc(F)c3)F)=O	1332
+O=S(=O)(c1cnccc1)N2CCN(CC2)c3nc4c(c(Nc5cc(cnc5)N6CCOCC6)c3C)c(cc(F)c4)F	1027
+c1cc(ccc1O)C=NNc2nc3cc(-c4ccccc4)nn3c(N5CCOCC5)c2	878
+C1COCCN1c2cc(NN=Cc3ccc(cc3)Cl)nc4cc(-c5ccccc5)nn24	878
+C1CN(CCO1)c2sc(c(-c3cccc(N)c3F)n2)-c4ccnc(n4)Cl	2087
+C1CN(CCO1)c2sc(-c3nc(NC(C)C)ncc3)c(-c4c(c(ccc4)NS(=O)(=O)c5c(F)ccc(c5)F)F)n2	96
+C1CN(CCO1)c2nc(nc3cc(sc23)CN(C(=O)C=C)C)-c4cc(ccc4)O	404
+C1CN(CCO1)c2nc(-c3ccc(cc3)NC(=O)OC)nc4c5c(n(cc5)CCN(C)C)ccc24	3929
+c1cc(ccc1-c2nc(c3ccc4c(ccn4CCN(C)C)c3n2)N5CCOCC5)NC(Nc6ccccc6)=O	124
+c1cc(ccc1NC(=O)Nc2ccncc2)-c3nc(c4ccn(c4n3)CCNC)N5CCOCC5	110
+C1CN(CCO1)c2nc(N3CCN(CC3)S(=O)(=O)C=C)nc(-n4c5cccc(OC)c5nc4C(F)F)n2	6783
+C1CN(CCO1)c2nc(c(C)s2)CCl	6784
+CC(C)(C)OC(N1CCN(CC1)c2nc(nc(-n3c4cccc(OC)c4nc3C(F)F)n2)N5CCOCC5)=O	436
+C1CN(CCO1)c2nc(Cl)nc3c2ccn3CCN(C)C	3924
+CC(C)(c1cc2c(nc(Cl)nc2s1)N3CCOCC3)OC	76
+C1CN(CCO1)c2c3c(nc(Cl)n2)c(OCCO)cc(c3)-c4c(c(ccc4)NS(=O)(=O)CCC)F	99
+c1cc(ccc1-c2nc(c3ccn(CCN(C)C)c3n2)N4CCOCC4)N	261
+C1CC(CCN1Cc2nc3c(n2C)nc(nc3N4CCOCC4)Cl)C5COC5	566
+C1C(CN1Cc2nc3c(nc(nc3N4CCOCC4)Cl)cc2)N5CCOCC5	596
+C1C(CN1Cc2nc3c(nc(Cl)nc3cc2)N4CCOCC4)N5CC(NCC5)=O	596
+CC(C)(C)[Si](C)(C)n1c2c(c(c(cc2)F)-c3nc(c4c(ccc(CN5CC(C5)C6CCOCC6)n4)n3)N7CCOCC7)cc1	3622
+CC(C)(C)OC(N1CCN(CC1)Cc2c(c3c(c(N4CCOCC4)nc(n3)Cl)s2)C)=O	509
+C1CN(CCO1)c2c3sc(S(=O)(=O)C)nc3nc(Cl)n2	6785
+C1CN(CCC1Cc2nc3c(nc(Cl)nc3N4CCOCC4)cc2)C(C)=O	10
+c1cc(ccc1-c2nc(N3CCOCC3)c4c(n(cc4)CC(OC)OC)n2)N	261
+C1CN(CCO1)c2nc(nc(n2)-n3c4cccc(OC)c4nc3C(F)F)N5CCN(CC5)S(=O)(=O)CCN6CCSCC6	3356
+C1CN(CCO1)c2nc(NC(=O)c3cnc4n3nc(cc4)-c5ccccc5OCC(CO)O)ccc2	265
+C1CN(CCO1)c2nc(-c3c(F)c(ccc3)NS(=O)(=O)c4ccco4)c(s2)-c5ccnc(N)n5	911
+C(OP(OCC)(Cc1c(C)sc(N2CCOCC2)n1)=O)C	6786
+C1CN(CCO1)c2sc(C)c(COc3ccc(C=O)cc3OC)n2	2088
+C1COCCN1c2nc(-c3ccccc3)nc(Cl)c2	6787
+C1CN(CCO1)c2c3cc(cc(c3nc(Cl)n2)O)Br	390
+C1CN(CCO1)c2nc(Cl)nc3c2nc(CO)cc3	59
+C1CN(CCO1)c2c3ncc(-c4cc(N)ccc4)cc3nc(Cl)n2	1151
+C1CN(CCO1)c2c3ncc(cc3nc(Cl)n2)-c4ccc(cc4)C(O)=O	1151
+C1CN(CCO1)c2c3c(cc(cc3)-c4cccc(S(=O)(=O)C)c4)nc(Cl)n2	495
+C1CN(CCO1)c2nc(-c3cccc4n[nH]cc34)nc5c2sc(c5)NC(=O)C	6788
+C1CN(CCO1)c2c3c(cc(s3)-c4cc(ccc4)C(=O)O)nc(n2)-c5cnc(nc5)N	2685
+C1CN(CCO1)c2nc(-c3ccc(cc3)NC(=O)Nc4ccncc4)nc5n(CC=O)ccc25	571
+C1CN(CCO1)c2nc(c3c(N(c4ccnc(N5CCN(CC5)C)c4)CC3)n2)-c6cccc(O)c6	5
+CC(C)(C)C(Nc1c(c(c(c(c1)F)F)C(O)c2ccc3ncc(nc3c2)N4CCOCC4)F)=O	1641
+CC(C)(C)C(=O)Nc1ccc(cc1)C(c2cc3nc(N4CCOCC4)cnc3cc2)O	257
+C1CN(CCO1)c2nc3c(ccc(C=O)c3)nc2	3930
+C1CN(CCO1)c2nc3cc(ccc3cc2C4CCCN4c5c(C#N)c(ncn5)N)F	54
+C1CN(CCO1)c2c3n(c(-c4ccc(cc4)-c5[nH]nnn5)cn2)cc(n3)COc6ccc7c(cccc7)n6	6789
+C1COCCN1c2cc(c(cn2)-c3ccc(c(F)c3)OC(F)F)N	1642
+C1COCCN1c2cc(Nc3c(C)c(nc4cc(F)cc(F)c34)-c5ccccn5)c(I)cn2	179
+C1COCCN1c2cc(c(cn2)Br)Nc3c4c(cc(F)cc4F)nc(c3C)-c5ccccn5	179
+C1COCCN1c2nccn3c2nc(C(OCC)=O)c3	6790
+C1COCCN1C2=NN(N)C(=O)c3ccccc23	6791
+C1COCCN1c2c(C#N)c(-c3c(cc(cc3)Cl)Cl)c(s2)C(=O)N	767
+C1CN(CCO1)c2sc(C)c(COc3ccc(cc3OC)CO)n2	41
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(cc3)OCc4c(C)sc(N5CCOCC5)n4)OC)n2	3931
+C1CN(CCO1)c2sc(c(n2)-c3cccc(NS(=O)(=O)c4c(cccc4F)F)c3F)-c5ccnc(Cl)n5	69
+C1CN(CCO1)c2nc(-c3c(c(ccc3)NS(=O)(=O)c4c(F)ccc(c4)F)F)c(-c5ccnc(n5)Cl)s2	69
+C1CN(CCO1)c2nc(c(-c3ccnc(n3)Cl)s2)-c4c(F)c(ccc4)NS(=O)(=O)c5ccco5	2686
+C1CS(CCN1c2ncc(cc2)C#N)(=NC)=O	6792
+c1cc(ccc1C2CN(C(=O)N3CCS(CC3)(=O)=O)CC(C2)C(OC)=O)OC(F)F	468
+c1cc(ccc1)C2=CCc3ccc(cc3O2)-c4c5c(N)ncnc5n(C6CC(C6)CN7CCS(CC7)(=O)=O)c4	6793
+C1CN(CCS1(=O)=O)CC2CC(C2)n3cc(c4c(ncnc34)N)Br	869
+O=S1(=O)CCN(CC1)CCNS(=O)(=O)c2ccccc2[N+]([O-])=O	71
+C1CS(CCN1C(Oc2ccc(cc2)[N+]([O-])=O)=O)=O	441
+C1CN(CCS1)C=2SC(=Cc3cccc(C(O)=O)c3)C(N=2)=O	1149
+C1CN(CCS1=O)C2CC(C2)n3cc(-c4cccc(OCC5OCCC5)c4)c6c(N)ncnc36	1311
+FC(F)(F)c1ccc(c(c1)NC(=O)Nc2ccc(nc2)N3Cc4c(CC3)c(C(=O)N)[nH]n4)F	6794
+FC(F)(F)CNC(=O)C1(c2ccccc2-c3c1cccc3)CCCCN4CCN(c5ccc6c(n5)cccc6)CC4C	28
+C1CN1c2cc(c(cc2[N+]([O-])=O)[N+]([O-])=O)C(NCCC(=O)OC)=O	6795
+C1CC2CCN1CC2Cc3cc(ccc3)F	1028
+C1CN2CCC1C(C(CCc3ccc(cc3)CO)(O)c4ccccc4)C2	88
+C1CN2CCC1C(C2)C(c3ccccc3)(O)CCc4ccc(cc4)C(OC)=O	213
+C1CN2CCC1C(C(O)(c3ccccc3)CCc4ccc(cc4)COC)C2	49
+C1CC2CCN1Cc3c2[nH]c4c3cccc4Br	518
+C1CC2CCN1Cc3c4c(n(CCc5cnc(cc5)Cl)c23)ccc(C)c4	6796
+C1CN2CCC1c3[nH]c4ccc(cc4c3C2)C	518
+C1CC2CCN1CC23OC(=NC3)Nc4cc(ncn4)Oc5ccccc5	6797
+c1cnccc1-c2cc(N=C3NCC4(CN5CCC4CC5)O3)ncn2	6798
+CC(C)(c1cccc(Br)c1)NC(NC2CN3CCC2CC3)=O	1957
+FC1(F)C(N(c2c(nc(nc2)Nc3c(cc(C(=O)NC4CN5CCC4CC5)cc3)OC)N(C6CCCCC6)C1)C)=O	14
+C1CN2CCC1C(NC(Cc3cc4ccccc4n3C)=O)C2	9
+C1CC2CCN1CC2NC(c3ccc(Sc4ccc(cc4)Cl)s3)=O	227
+C1CN2CCC1C(NCCc3n(C)c4ccccc4c3)C2	15
+C1CN2CCC1C(C2)OC(C(c3c4c(sc3)cccc4)Nc5cccc(c5)F)=O	27
+C1CC2CCN1CC2OC(=O)C(c3ccccc3)N4CCC(F)(F)CC4	27
+C1CN2CCC1C(OC(=O)C(Nc3ccccc3)c4cc(F)ccc4)C2	1643
+c1ccccc1-c2ccc(cc2NC(OC3C4CCN(CC4)C3)=O)Br	589
+C1CC(CCN1C(c2ccccc2)C(OC3CN4CCC3CC4)=O)C(N)=O	27
+FC(F)(F)c1ccc(CCn2c3c(c4CN5CCC(CC5)c24)cc(C)cc3)cn1	3389
+C1CCCCN1CN2C(C(=C3c4ccc(N(C)C)cc4CO3)c5c2ccc(Cl)c5)=O	6799
+C1CN(CCC1)CC#CCCC(=O)N2c3ncccc3NC(=O)c4ccccc24	1469
+CC(C)(C)C(=O)OCN1C=Nc2cc(c(cc2C1=O)OC)OCCCN3CCCCC3	28
+CC(C)(C)OC(=O)N(c1ccc(cc1)NC(c2ccc(C)nc2N3CCCCC3)=O)CCc4ccccn4	43
+CC(C)(C)OC(N1CCN(CC1)c2nccnc2N3CCCCC3)=O	317
+CC(C)(C)OC(=O)N1CCc2onc(c2C1)C(N3CCCCC3)=O	147
+CC(C)(C)OC(=O)NC(C(CN1CCCCC1)O)CC(C(C)C)Cc2cc3c(cccc3OCCOC)cc2	170
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(N3CCCCC3)=O	30
+CC(C)(C)OC(c1ccc(cc1[N+](=O)[O-])C(=O)N2CCCCC2)=O	30
+CC(C)(C)OC(CC(c1nc(no1)C(=O)N2CCCCC2)CCCC3CCCCC3)=O	2661
+CC(C)(C)OC(c1c(nc2ccc(N3CCCCC3)cc2c1-c4ccc(cc4)F)C)=O	79
+CC(C)(C)OC(c1ccc(cc1NC(c2cc(ccc2OCOC)CN3CCCCC3)=O)-c4ccccc4)=O	131
+CC(C)(C)c1ccc(cc1)C=C(C)CN2CCCCC2	3855
+CC(C)(C)c1sc2c(n1)cc(c(NC(N3CCCCC3)=S)c2)N4CCN(CC4)C	1366
+CC(C)(C)n1nc(cc1N=C2NN(c3ccc(cc3)N4CCCCC4)C(c5ccccc25)=O)C	202
+CC(C)(c1ccc(c(c1)Br)CC(C)CN2CCCCC2)CCCC	53
+CC(C)C(c1ccc(cc1)N2CCCCC2)=O	34
+C1CCCCN1CCCn2c3ccccc3cc2C(NC4C(CCCC4)C(NC(CC(C)C)C#N)=O)=O	53
+C1CN(CCC1)CCCCCS(=O)CCC(C)C	53
+CC1(C)Cc2c(OC)cccc2C1N3CCCCC3	3339
+C1CCCCN1CC(Nc2ccc(cc2)C(=O)N3CC4(CC3CC(C)(C)C4)C)=O	224
+C1CN(CCC1)C(SC)=C[N+]([O-])=O	6800
+FC(F)(F)Oc1ccc(cc1)N2C(=O)C3(CCN(CC3)C(N4CCCCC4)=O)CC2	2399
+C1CN(CCC1)c2cc(ccc2[N+](=O)[O-])Cl	34
+Clc1cc(cc(Cl)c1Oc2ccc(O)c(c2)CN3CCCCC3)N4C(=O)NC(C=N4)=O	48
+Clc1cccc(CNCc2nc3c(oc4c3cc(cc4)Br)c(O)n2)c1	6801
+C1CN(CCC1)c2cc(nc(n2)Cl)Cl	54
+FC(F)(F)C(N(c1ccc(CCC(OCC)=O)c(F)c1)Cc2ccc3c(c2C)N(CCN4CCCCC4)CCC3)=O	123
+FC(F)(F)c1c2nc(CN3CCCCC3)c(-c4cc(Oc5cccc(S(=O)(=O)C)c5)ccc4)n2ccc1	6802
+FC(F)(F)c1cc(-c2ncc(nc2)NC(c3c([N+](=O)[O-])ccc(N4CCCCC4)c3)=O)ccc1	202
+FC(F)(F)c1cc([N+](=O)[O-])c(N2CCCCC2)c(C(Nc3cc(Cl)c(cc3)Cl)=O)c1	202
+FC(F)(F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	202
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(c3)OCCCCN4CCCCC4	28
+FC(F)(F)c1cccc2c(n(nc12)-c3ccccc3)N4CCCCC4	959
+C1CCCN1c2c3c4ccccc4n(c3nc(N5CCCC5)n2)CCN6CCCCC6	123
+O=S(=O)(c1ccc(cc1)C)N2C(CC(=O)NCCc3ccc(cc3)CN4CCCCC4)C(NC=C2)=O	171
+C1CCCCN1C(C)CCOc2ccccc2	2687
+C1CCCCN1C(c2cc(C)c(Nc3cnc(C)cc3)nc2)=O	211
+C1CN(CCC1)Cc2cc(c(O)cc2)OC	48
+C1CN(CCC1)c2ccnc(C)c2	264
+C1CCCCN1c2nc(cs2)C(OCC)=O	2643
+C1CCCCN1CCCCCn2c3c(c(nc(OC(C)CCC)n3)N)nc2OC	53
+C1CN(CCC1)c2c3c(C=O)cn(C)c3ncc2	3932
+C1CCCCN1C(=O)c2ccc(Oc3cc(cc(c3)OC(C)CO)C(=O)Nc4nn(C)cc4)c(F)c2	30
+C1CN(CCC1)CCCOc2cc(OC3CCOC3)c4c(ncnc4c2)Nc5cc(c(F)cc5)Cl	53
+C1CN(CCC1)CCCOc2cc(F)c(-c3cn4c(n3)cc(C)cc4)cc2	53
+C1CCCCN1Cc2[nH]c3cc(Oc4sc5ccccc5n4)ccc3c2	315
+C1CN(CCC1)CCCCN2CCN(CCC2=O)C(C=Cc3ccc(c(c3)Cl)Cl)=O	183
+C1CN(CCC1)CC(O)CCN2CCN(CCC2=O)C(C=Cc3ccc(c(c3)Cl)Cl)=O	170
+C1CN(CCC1)c2nc(nc(C(=O)OC)c2)Cl	54
+C1CCCCN1c2cc(Br)c([N+]([O-])=O)cc2	34
+C1CN(CCC1)c2cnc(cc2)[N+]([O-])=O	244
+C1CN(CCC1)c2ccc(c(C(=O)N)c2)[N+]([O-])=O	34
+C1C(CC1)(C(CN2CCCCC2)=O)c3ccccc3	3933
+c1cc(ccc1)C2=CN(C(c3ccccc23)=O)CCCN4CCCCC4	53
+c1cc(ccc1)N2C=C(C(=O)c3ccc(cc23)Cl)CNC(=O)c4ccc(nc4)N5CCCCC5	43
+C1CCCCN1c2ccc3c(c2)c(-c4ccc(cc4)F)c(c(n3)C)C(C)O	79
+c1cc(ccc1S(=O)(=O)N2CCCCC2)C#N	92
+C1CN(CCC1)CCC(=O)Nc2ccc(cc2)C(=O)N3CC4(CC3CC(C)(C)C4)C	1531
+c1cc(ccc1C(=O)Nc2ccc(cc2)OC(=O)N(C)c3ccccc3)CN4CCCCC4	171
+c1cc(ccc1CN2CCCCC2)C(C)n3nnc(CC4N(C=CNC4=O)S(=O)(=O)c5ccc(Cl)c(Cl)c5)c3	48
+C1CN(CCC1)C(=O)c2ccc(cc2)C=O	30
+c1cc(ccc1Cl)-c2cc(C(CN3CCCCC3)=O)c(C)s2	1498
+C1CN(CCC1)CC(c2cc(C(c3ccc(cc3)Cl)=O)cn2C)=O	1498
+c1cc(ccc1Cl)N2c3c(N=C(N4CCCCC4)C2=O)cccc3	6803
+C1CCCCN1CC2CCc3n(c4c(cccc4)c3C2=O)Cc5ccc(cc5)C(OC)=O	6804
+c1cc(ccc1Cn2cc(cn2)-c3nc(sc3N4CCCCC4)Nc5ccccn5)OC	3934
+C1CCCCN1CCCCCCOc2cc3ccn(-c4ccc(cc4)F)c3cc2	28
+C1CCCCN1C(C2CCc3c2nc(s3)-c4ccc(cc4)OCCCCl)=O	10
+C1CCCCN1C(=O)Cc2nc(oc2)-c3ccc(cc3)OCCN4CCCC4C	10
+c1cc(ccc1Oc2ccc(C(=O)N3CCCCC3)cn2)C=O	211
+C1CN(CCC1)c2ccc(nc2)C(Nc3cc(cc4[nH]ncc34)-c5c6cc[nH]c6ccc5)=O	244
+C1CN(CCC1)CC2CC(c3ncc(Br)cc3)=NO2	53
+C1CCCCN1C2Cc3c(C2)ccc(OC)c3	85
+c1ccccc1CCOCCN2CCC(CC2)(C#N)C	236
+O=S(=O)(CCC)N1CCC(CC1)(c2ncccc2)C#N	112
+CN(C)C(=O)Oc1cc(NC(C2(CCN(CC2)c3ncnc4[nH]cc(c34)C)COC)=O)ccc1	778
+c1cc(ccc1C(=O)N2CCC(CC2)(c3ccccc3)C(=O)OC)-c4nc(C)no4	30
+C1CC(CCC1)C2(CCNCC2)CO	44
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)N2CCC(C)(C)CC2	92
+CC(C)(C)OC(N1CCC(CC1)(O)C)=O	23
+C1CC(CCN1C(Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)=O)(O)C	437
+C1CN(CCC1(c2cc(ccc2)-c3cnn(C)c3)CO)c4ncnc5nc[nH]c45	1310
+C1CN(CCC1(c2c(C)cccc2)C#N)C(OCC)=O	66
+CC(C)(O)CN1CCC(CC1)(C#N)c2ccc(cn2)Br	170
+C1CC(CCN1CCc2ccc3NC(CCc3c2)=O)(O)c4sc(cc4)Cl	53
+c1ccccc1N2C3(CCN(CC3)CCCN4C(Nc5c4c(Cl)ccc5)=O)C(NC2)=O	1306
+C1CC2(CCN1CCc3cc(ccc3)OC)CC(c4cc(ccc4O2)C=CC(=O)OC)=O	28
+C1CN(CCC12CC(c3c(ccc(C=CC(=O)OC)c3)O2)=O)CCc4c[nH]c5ccccc45	28
+C(C)Oc1cc(cc(OCC)c1-c2ccc(cc2)F)CN3CCC4(CC3)CC(NC4)=O	171
+C1CN(CCC12CC(c3c(O2)cccc3)=O)C(c4ccccc4OC)=O	30
+CC(C)(C)OC(=O)Nc1cc(cc(c1Cl)N2CCC3(CC2)C(=O)N(CC3)C)C#N	79
+CC(C)(C)OC(N1CC(c2ccccc2)C(CN3CCC4(CC3)CCN(Cc5ccc(cc5)Br)C4=O)C1)=O	61
+c1cc(ccc1)C(CCN2CCC3(CC2)CCN(C3=O)Cc4ccc(cc4)Br)=O	1644
+CC(C)(C)[Si](C)(C)OCCc1ccc(CCN2CCC3(CC2)CN(CCO3)C(=O)c4nc(sc4)C)s1	61
+CC(C)(C)OC(=O)NCCCN1CCC2(CC1)CN(C(=O)OCc3ccccc3)CC2	53
+CC(C)(C)[Si](C)(C)OCCc1c(F)c(CN2CCC3(CC2)CN(C(=O)c4csc(n4)C(C)C)CCO3)ccc1	48
+C1CN(CCC12OCCN(C(c3nc(sc3)C(C)C)=O)C2)CCc4csc(CCOC(=O)C)c4	123
+C1CC2(CCN1CCc3cccc(CCO)c3)CN(C(=O)c4nc(C(C)C)sc4)CCO2	28
+CC(C)(C)OC(=O)CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CNC(=NC(c4nc(c(nc4N)N)Cl)=O)N3)c1	30
+c1cc(ccc1N2C3(CCN(CC3)C(=O)C)C(NC2=O)=O)C	58
+CC(C)(C)OC(N1CCC(CC1)N2CCC3(CC2)OC(Nc4ccccc34)=O)=O	85
+C1COCCC1c2nc3c(cc(Oc4cc(N5CCC6(CC5)c7c(NC(=O)O6)nccc7)ncn4)cc3[nH]2)Cl	54
+C1CN(CCC12c3c(NC(=O)O2)nccc3)c4cc(C(=O)c5cc6c(c(C)c5)N(C)C(=O)O6)nc(C)n4	54
+C1CN(CCC12c3c(NC(=O)O2)nccc3)c4ncnc(c4)C(c5cc(C)c6c(OC(=O)N6C)c5)=O	54
+C1CN(CCC12c3c(CCO2)cc(F)s3)Cc4cn(nc4C)-c5c(C#N)cccn5	678
+CC(C)(C)OC(=O)N1CCC2(CC1)CCCc3ccccc23	23
+C1CN(CCC12C=Cc3ccccc23)c4c(Cl)c(nnc4)NN	6805
+C1CC(CCN1CC(OCC)=O)=C2c3ccc(cc3CCc4c2nccc4)C#N	303
+C1CC(CCN1CCOc2cccc3nc(ccc23)C)=Cc4cc(-c5ccccn5)ccc4	28
+C1CC(CCN1CCOc2cccc3nc(C#N)ccc23)=Cc4cccc(Br)c4	28
+C1CN(CCC1C#N)c2c(cnc(N)c2Cl)Br	264
+C1CC(CCN1C(N2CCOc3c(cc(-c4cnc(cc4)-c5[nH]ccn5)cc3)C2)=O)C#N	776
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCC(CC4)C(=O)N5CCC5	85
+CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCC(CC2)C(=O)c3cc(Cl)ccc3Cl	61
+FC(F)(F)CCN1CCC(CC1)C(=O)N	183
+FC(F)(F)c1nccc(n1)N2CCC(CC2)C(=O)N	54
+O(c1cc(cc(OC)c1OC)-c2nccc(CN3CCC(CC3)C(=O)N)c2)C	171
+C1CN(CCC1C(N)=O)S(=O)(=O)c2c3c(ccc2)cccc3	92
+c1c(Cl)c(c(cn1)Cl)N2CCC(CC2)C(=O)N	264
+C1CN(CCC1C(N)=O)C(C(=O)OCC)c2ccccc2	6806
+c1ccccc1C(c2ccccc2)N3CCC(CC3)C(N)=O	1109
+C1CC(CCN1Cc2ccccc2)C(N)=O	171
+C1CN(CCC1C(N)=O)C(=O)OCc2ccccc2	66
+C1CN(CCC1C(N)=O)CCOc2ccc(cc2)Oc3nc4ccccc4s3	28
+C1CN(CCC1C(=O)N2CC(C(Oc3ccc(C#N)cn3)C)C(c4cc(c(Cl)cc4)Cl)C2)CC#N	6807
+c1cc(ccc1Cl)S(=O)(=O)CCCN2CCC(CC2)C(c3ccc(cc3)F)Nc4cc(F)c(F)cc4	53
+CC(C)(C)OC(=O)N1CCCC(CN2CCC(CC2)C(=O)Nc3ccc(c(Cl)c3)Cl)C1	61
+CC(C)(C)CCN1CCC(CC1)C(=O)OCC	61
+CC(C)(C)OC(n1c2ccc(OC)cc2nc1-c3c(ccc(N4CCC(CC4)C(=O)OCC)c3)F)=O	79
+CC(C)(C)[Si](C)(C)Oc1ccc2nc(ccc2c1)CN3CCC(CC3)C(=O)OCC	315
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)C(OCC)=O)=O)c4c(cccc4)Br	10
+CC(C)Oc1ccc(-c2onc(-c3cccc4c3n(cc4CN5CCC(CC5)C(=O)OCC)C)n2)cc1Cl	565
+CC1(C)Oc2c(c(CCN3CCC(CC3)C(=O)OCC)ccc2)CO1	123
+C1CC(CCN1c2c(Cl)nsn2)C(=O)OCC	6808
+C1CN(CCC1C(=O)OCC)c2ncnc(c2F)Cl	54
+FC(F)(F)CCN1CCC(CC1)C(=O)OCC	61
+FC(F)(F)c1c(ccc(-c2ncc(cn2)-c3cccc(CN4CCC(CC4)C(=O)OCC)c3CC)c1)OC(C)C	48
+C1CN(CCC1C(=O)OCC)C(C)=O	58
+C1CC(CCN1S(=O)(=O)C)C(=O)OCC	112
+C1CC(CCN1CCc2c3c(oc2)cc(cc3)Oc4sc5ccccc5n4)C(OCC)=O	123
+C1CC(CCN1c2nc3ccc(c(c3cc2)C(O)=O)Cl)C(=O)OCC	286
+C1CC(CCN1c2c3c(n(C)cc3C=O)ncc2)C(=O)OCC	3932
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)C(=O)OCC	3935
+C1CN(CCC1C(=O)OCC)Cc2ccc(cc2)-c3c(-c4ccccc4)cc5c(n6nc(C)cc6nc5)n3	48
+c1cc(ccc1OCCCCN2CCC(CC2)C(OCC)=O)Cn3c(nc4c3nc(nc4N)OCCCC)OC	53
+C1CN(CCC1C(=O)OCC)Cc2cc3c(cc2)cc(cc3)O	48
+C1CN(CCC1C(=O)OCC)c2c(ccnc2)-c3sc(C)cn3	2688
+CC(C)(C)OC(N1CCC(CC1)C(c2ccc(cc2)Br)=O)=O	23
+FC(F)(F)C(C)OC(N1CCC(CC1)C2(Oc3cnc(cc3C2)-c4ccc(cc4)S(=O)(=O)C)C)=O	1011
+O=S(=O)(c1ncn(C)c1)N2CCC(CC2)C3=NCCc4cc(OC)ccc34	3936
+O=S(=O)(c1cnc(cc1)OCCC2CC2C3CCN(CC3)C#N)C	739
+C1CN(CCC1C2C(C2)CCO)c3ccc(C=O)cn3	43
+c1nc(ncc1COC)N2CCC(CC2)C3CC3CCO	117
+c1nc(ncc1OCC)N2CCC(CC2)C3CC3CCO	117
+n1cc(cnc1N2CCC(CC2)C3CC3CCO)CC	117
+C1CNCCC1C2N=C3NC(=CC(=O)N3CC2)c4ccncc4	6809
+c1cnccc1C2=CC(=O)N3C(=NC(C4CCN(CC4)C)CC3)N2	113
+c1nc(ncc1CCC)N2CCC(CC2)C3Oc4c(C3)cc(Br)cc4F	117
+CC(C)N1CCC(CC1)CC#Cc2c3c(c(nc(CCCC)n3)N)n(COCc4ccccc4)c2	2689
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)CC(=O)OCC)=O)c4c(cccc4)Br	10
+CC(C)CC1C(N(CC(N2CCC(CC2)CC(=O)OCC)=O)CC(c3ccccc3Cl)c4cc(Cl)ccc14)=O	10
+C1CC(CCN1c2c(cc(cc2)Cl)[N+]([O-])=O)CC(=O)OCC	202
+FC(F)(F)c1ncc(cn1)N2CCC(CC2)CC3CCN(CC3)C(C)C	3937
+C1CN(CCC1CC2CCN(CC2)C(C)C)c3ncc(nc3)C(=O)OC	317
+C1CC(CCN1c2ccc(cc2)C(=O)C)CC3CCN(CC3)C4CCC4	34
+CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(CN3CCC(CC3)CCC)=C(Cl)C=C(C2=O)Cl	3830
+C1CC(CCN1CC)CCCCCCn2c(nc3c(nc(nc23)OCCCC)N)OC	183
+CC(C)(C)OC(=O)NC(C(=O)N1CCC(CC1)CCc2c(nc(C)nc2N)Cl)C	10
+C1CN(CCC1CCc2noc3c(CO)c(ccc23)OCC4CC4)Cc5nc(C#N)cs5	6810
+C1CC(CCN1C(=O)OCc2ccccc2)CN	613
+c1cc(ccc1CN2CCC(CC2)CN)Cl	171
+C1CC(CCN1S(=O)(=O)C)CN(CCC)C2CCc3ccc(cc3C2)[N+](=O)[O-]	112
+C1CC(CCN1C(=O)N)CNc2cc(nc3n2ncc3Br)-c4c(Cl)cccc4	6811
+CC(C)(C)[Si](C)(C)OCC1CCNCC1	19
+C1CN(CCC1CO)C(OC(C)C)=O	66
+C1CC(CCN1C(=O)CC)CO	58
+C1CN(CCC1CO)c2nccc(c2)C	361
+C1CN(CCC1CO)C(=O)C	10
+C1CC(CCN1C(=O)CC2C(=O)NC=CN2S(=O)(=O)c3cc(C)c(Cl)cc3C)CO	10
+C1CNCCC1COc2c3c(Nc4ccc(c(Cl)c4)O)ncnc3ccc2	1111
+C1CC(CCN1Cc2cnc(-c3ccccn3)s2)CO	2075
+c1ccccc1C(c2ccccc2)OCC3CCNCC3	3938
+c1ccccc1-c2csc3nc(nc(c23)N4CCC(CC4)CO)CCl	1570
+c1ccccc1-c2csc3nc(Cl)nc(c23)N4CCC(CC4)CO	1570
+C1CN(CCC1CO)C(c2ccccc2)=O	115
+C1CC(CCN1C(Nc2sc3c(N4CCOCC4)ncc(OC)c3n2)=O)COC	437
+CC(C)N1CCC(CC1)COc2c(C(NC(C)(C(=O)OCC)CC)=O)cc(c3ccccc23)Cl	85
+C1CC(CCN1C(C)=O)COc2c3c(cccc3)c(Cl)cc2C(NC(C)(C(=O)OCC)CC)=O	58
+CC(C)(C)Oc1nc(CCN2CCC(CC2)COc3c(cccc3)F)cnc1	6812
+C1CC(CCN1CCOc2cccc3c2ccc(n3)C)Cc4ccc5c(c4)NC(=O)CO5	28
+C1CC(CCN1CC#N)Cc2n(c3ncccc3n2)CCOCC	1321
+c1cc(ccc1Oc2ccccc2)CCN(C3CCN(CC3)Cc4ccc(cc4)C(OC)=O)C	131
+C1CC(CCN1CC(C)(C)O)N(C(c2ccc(cc2)-c3ocnc3)=O)C4CC4	170
+C1CC(CCN1)N(Cc2scnc2Cl)CC(C)C	6813
+C1CC(CCN1C(=O)NC(Cc2cc3c(n[nH]c3)c(C)c2)C(=O)OC)N4Cc5cccc(F)c5NC4=O	6814
+C1CN(CCC1N2C(NC(=O)c3cc(ccc23)OCC(F)F)=O)C=O	1003
+C1CN(CCC12OC(Nc3ccccc23)=O)C4CCN(CC4)c5nccnc5	6815
+C1CN(CCC1N2CCN(CC2)C)c3cc(OC)c([N+]([O-])=O)cc3C	34
+FC(F)(F)S(=O)(=O)c1ccc(cc1)-n2cc(cc2)CN3CCC(CC3)NC(COc4cccc(Cl)c4)=O	565
+c1cc(ccc1-n2cc(cc2)CN3CCC(CC3)NC(COc4cccc(Cl)c4)=O)Br	565
+c1(cc(cc(OCC)c1F)CN2CCC(CC2)NC(=O)c3cccc(OC(C)(C)C(OCC)=O)c3)OCC	48
+O=S(=O)(NC1CCN(CC1)C(=O)OCc2ccccc2)c3ccc(cc3)[N+]([O-])=O	66
+C1CN(CCC1Nc2c3nnc(C)n3nc(-c4cc5ccccc5n4Cc6ccccc6)c2)C	113
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C	10
+C1CC(CCN1c2ncccc2Br)Nc3ccc(cc3)F	43
+C1CN(CCC1Nc2ncc(C(=O)OC)cc2)C(Nc3ccccc3)=O	326
+C1CN(CCC1Nc2nccc(-c3n(C(C)C)c(nc3)C)n2)CCc4ccccc4	28
+C1CN(CCC1Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2)C(C)=O	58
+c1(cc(cc(OCC)c1F)CN2CCC(CC2)Nc3nc(NCCO)nc(OC)n3)OCC	48
+C1CC(CCN1CC(F)(F)c2ncc(C(F)F)cc2)Nc3ncnc4n(S(=O)(=O)c5ccc(cc5)C)ccc34	1645
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1-c4nnc(o4)NC5CCN(CC5)S(=O)(=O)C	112
+C1CN(CCO1)c2nc(cc(N)c2)N3CCC(CC3)O	43
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(c4C(=O)N(C(N5CCC(CC5)O)=Nc4o3)C)-c6ccccc6	6816
+CC(C)(C)[Si](C)(C)OC1CCNCC1	19
+CC(C)(O)c1c2ncc(-c3ccnc(NC4CCC(CC4)C(N5CCC(CC5)O)=O)n3)n2ccc1	10
+CC(C)C(N1CCC(CC1)O)=O	10
+C1CN(CCC1O)C(C23c4c(cccc4)C(c5c2cc(Cl)cc5)C3)=O	10
+C1CNCCC1Oc2ncc(cc2)Cl	91
+FC(F)(F)c1ccc(cc1)C2CC(CN(C(N3CCC(CC3)O)=O)C2)NC(c4ccccc4)=O	468
+C1CN(CCC1O)C#N	739
+C1CN(CCC1O)Cc2ccccc2C#N	131
+C1CC(CCN1c2c(cc(cn2)[N+]([O-])=O)Cl)O	43
+C1CN(CCC1O)c2ccc(O)nn2	212
+C1CC(CCN1c2ccc([N+](=O)[O-])c(c2)OC)O	34
+C1CC(CCN1c2ncc(nc2)CC)O	2089
+C1CN(CCC1O)C(=O)COCCc2c(cccc2Cl)Cl	10
+C1CN(CCC1O)c2ccc(Br)cn2	323
+C1CC(CCN1C(c2ccc3-c4c(cc(C(N(C)c5c(Cl)cccc5)=O)s4)CCOc3c2)=O)O	3355
+C1CN(CCC1O)c2ccc(cn2)C(=O)NCC=3C(=O)c4ccc(cc4N(C=3)c5ccccc5)Cl	43
+c1cc(ccc1CC)C2CC(C(=O)OCC)CN(C(=O)N3CCC(CC3)O)C2	468
+c1cc(ccc1CN2CCC(CC2)O)C	171
+c1cc(ccc1C)S(=O)(=O)n2c(-c3cn(C)c4cc(OC)c(OC)cc34)cc5c(ccnc25)CN6CCC(CC6)O	171
+C1CN(CCC1O)c2nnc(Cl)cc2	212
+C1CC(CCN1C(C23c4c(cccc4)C(c5c2cccc5)C3)=O)O	10
+C1CN(CCC1O)C(=O)Nc2nccc(Oc3cc4c(cc3)n(C(NCCC(C)C)=O)cc4)c2	437
+C1CC(CCN1c2nccc(-c3cccc(n3)-c4n5c(ccc(N6C(c7cccc(F)c7)CCC6)n5)nc4)c2)O	361
+C1CN(CCC1O)c2nc3c(cccc3)cc2	286
+n1cc(cnc1N2CCC(CC2)O)Br	117
+n1cc(cnc1N2CCC(CC2)O)CC	117
+n1cc(cnc1N2CCC(CC2)O)CCC	117
+C1CC(CCN1CC(C)CN2C(COc3c2cc(cc3)C)=O)OCCC	183
+C1CC(CCN1C(=O)C)Oc2c3c(cc(c2)CC(OC)=O)ccc(F)c3	58
+CC(C)(C)OC(C(CS(=O)(=O)N1CCC(CC1)Oc2c(Br)cc(cc2)F)C3CCCC3)=O	112
+C1CN(CCC1Oc2ccc(cc2)C3CCN(CC3)C(OCc4ccccc4)=O)C(C)C	85
+C1CC(CCN1C(=O)c2ccc3c(cc[nH]3)c2)Oc4ccc(cc4)Cl	30
+C1CC(CCN1S(=O)(=O)C)Oc2ccc(cc2)S(=O)(=O)N(C3CCC3)c4cccc(F)c4	112
+CC(C)N1CCC(CC1)Oc2ncc(cc2)[N+](=O)[O-]	85
+C1CC(CCN1S(=O)(=O)CC2=NNC(N2)=O)Oc3ncc(cc3)Cl	6817
+C1CN(CCC1S(=O)(=O)C)c2ncccc2-c3nc4c([nH]3)cc(Cl)c(Cl)c4	43
+O=S(=O)(C1CCN(CC1)c2c(C#N)cc(C(=O)OCC)c(n2)C)N	43
+c1cc(ccc1-c2c(-c3ccc(cc3)CN4CCC(CC4)c5nnc(-c6cccc(n6)C)[nH]5)nc7nccn7c2)F	48
+c1cc(ccc1CN2CCC(CC2)c3nnc([nH]3)-c4cnc(cc4)OC)-c5c(cc6c(ccnc6O)n5)-c7ccccc7	48
+C1CN(CCC1c2nccnc2F)C(C)=O	58
+C1CN(CCC1c2c(c(ccc2)Cl)Cl)CCCCOc3cc4c(cc3)scn4	28
+c1cc(ccc1)C(N2CCC(CC2)c3c4cc(-c5ccccc5)nc(C(N)=O)c4[nH]c3)=O	115
+c1cc(ccc1SCCCN2CCC(CC2)c3c4c(n(c3CC)-c5ccccc5)cc(F)cc4)F	28
+C1CC(CCN1c2cc(C(=O)OC)nc(n2)Cl)c3n[nH]c4ncccc34	54
+C1CN(CCC1c2c3c([nH]c2)c(cc(Br)c3)C(N)=O)S(=O)(=O)CC	112
+c1(cc(cc(Cl)n1)C2CCN(CC2)C3COC3)Cl	85
+c1cc(ccc1Oc2ccccc2)-c3c4c(cc(n3)C5CCN(CC5)C(=O)CC#N)[nH]nc4N	10
+C1CC(CCN1CC(F)F)c2cc3c(nnc(c3Nc4c(cc(cc4)C)F)C(N)=O)cc2OC	1645
+O=S(=O)(C)N1CCC(CC1)c2cc3c(nnc(c3Nc4c(cc(cc4)C)F)C(N)=O)cc2OC	112
+c1ccccc1CN2CCC(CC2)c3ccc(c(C(=O)N)c3)Cl	131
+C1CC(CCN1)c2cccc3c2C(C(N3)=O)=Cc4[nH]c(C)cc4C	292
+CC(C)(C)OC(=O)N(C1CC(C(=O)N2CCC(CC2)c3ccccc3)N(Cc4ccccc4)C1)Cc5c(F)cc(F)cc5	10
+CC(C)(C)OC(NCCN(CCCCCCN1CCC(CC1)c2ccccc2)Cc3ccccc3OC(C)(C)C)=O	28
+CC(C)(C)OC(Nc1ncc(CN2CCC(CC2)c3ccccc3)s1)=O	3696
+C1CN(CCC1c2ccccc2)C(=O)C3C4(c5ccccc5CCC4)CN(C3)Cc6ccccc6	10
+c1cc(ccc1N2CCC(CC2)c3ccccc3)S(=O)(=O)NC4C(=O)N(OCc5ccccc5)CC=CC4	34
+C1CC(CCN1c2ccc(cc2)S(=O)(=O)NC(Cc3c[nH]c4c3cccc4)C(=O)O)c5ccccc5	34
+c1cc(ccc1)C2CCN(CC2)CCC3c4cnn(-c5cc(c(cc5)Cl)Cl)c4CCC3	53
+C1CN(CCC1c2ccccc2)Cc3ccc4c(n3)ccc([N+](=O)[O-])c4	596
+C1CC(CCN1C)c2ncc(C(OC)=O)nc2	113
+c1cc(ccc1OC)-c2c(n(CC(=O)OC)c(C3CCN(CC3)C(=O)N(O)C)n2)-c4ccc(cc4)OC	6818
+CC(C)c1nc(no1)C2CCN(CC2)c3ncc(cc3C#N)Br	43
+C1CN(CCC1c2nc(C(N(C3c4c(cccc4)CCC3)C)=O)cs2)C(Cn5c(cc(CC)n5)CC)=O	10
+C1CN(CCC1c2nc3c([nH]2)ccc(c3)Br)c4ncc(cn4)CC	117
+C1CC(CCN1C)c2nn3c(C=C(c4ccc(cc4Cl)Cl)NC3=O)n2	113
+C1CC(CCN1c2ccc3ccc(cc3n2)F)c4nccnc4-c5cc(c(cc5)C(NC)=O)F	3619
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+C1CC(CCN1CCCOc2c(cc(C(O)C)cc2)O)c3c4c(on3)cc(F)cc4	53
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+C1CN(CCC1c2nnc(-c3cc(-c4cc(OC)ccc4)cnc3N)o2)C	1022
+O=S(=O)(N)c1cc(ccc1OC)CCN2CCC(CC2)c3oc(-c4ccc(cc4)F)c(COC)n3	53
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc3c(cc(Br)cc3n2)F	23
+c1cc(ccc1)C2(C(CN3CCC(CC3)c4onc(Cc5ccccc5)n4)C2)CN(S(=O)(=O)c6ccccc6)C	61
+C1CN(CCC1n2c(Sc3c(cc4OCOc4c3)Br)nc5c2ncnc5N)C=O	1003
+c1ccccc1-c2c(-c3ccc(cc3)CN4CCC(CC4)n5c6c(nc5C)cccc6)nc(N)c(c2)[N+]([O-])=O	48
+C1CC(CCN1CCc2cc3NC(CCc3cc2OC)=O)n4ccc5c4cc(C(=O)N)cc5	61
+C1CN(CCC1n2ccc3c2cc(cc3)C(N)=O)CCc4c(OC)ccc5c4cccc5	61
+C1CC(CCN1CCc2cc3N(C)C(=O)OCc3cc2OC)n4c5cc(C(=O)NC)ccc5cc4	61
+C1CC(CCN1C)n2cc(cn2)-c3nc(OC(C4CNC(=O)C4)C)c5c(nn(c5)C)c3	113
+C1CC(CCN1S(=O)(=O)C)n2c3c(c(N4CCOCC4)nc(-n5c6cccc(c6nc5C(F)F)OC)n3)nn2	112
+CC(C)(C)c1cc2c(cc1)oc(n2)N3CCNCCC3	2647
+C(C)OC(=O)N1CCNCCC1	66
+FC(F)(F)c1ccc(N2CCNCCC2)nc1	43
+O=S(=O)(N1CCCNCC1)c2c3ccnc(c3ccc2OC)Cl	2691
+O=S(=O)(C)c1ccc(cc1)CN2CCNCCC2	131
+C(C)N1CCCNCC1	15
+C1CNCCN1c2nc(c3nc(c(N4CCS(CC4)=O)nc3n2)Cl)N5CCOCC5	117
+C1CN(CCS1=O)c2c([N+](=O)[O-])c(nc(n2)N3CCNCC3)OCC	3625
+C1CNCCN1c2c(F)c3N4C(=C(C(=O)OCC)C(c3cc2F)=O)SC4C	34
+CC(C)(C)OC(N1CC(CC1C(N2CCNCC2)=O)N(C(C)=O)C3CCC(C)(C)CC3)=O	10
+CC(C)(C)OC(=O)C1C(N(CC)c2c(CC1)cc(c(c2)OC)N3CCNCC3)=O	79
+CC(C)(C)[Si](C)(C)N1CCNCC1	6820
+CC(C)(C)c1nc(cc(C2CC2)n1)N3CCNCC3	54
+CC(C)(C)c1nc(cc(n1)N2CCNCC2)C3CCC3	54
+CC(C)(C)c1nn2c(N3CCNCC3)c(-c4ccccc4)c(C)c(C#N)c2n1	6821
+CC(C)(C)c1sc2c(n1)cc(c(NC(N3CCNCC3)=S)c2)N4CCC(CC4)C	1366
+CC(C)CCNC(=O)c1nnc(N2CCNCC2)cc1	212
+C1CNCCN1c2ccc(C(=O)C)cc2F	34
+CC1(C)CCCC(C)(C)N1c2nc(N3CCNCC3)cc(N4CCCC4)n2	54
+O=S(=O)(n1c(ncc1)N2CCNCC2)N(C)C	1811
+C[Si](C)(C)CCOCn1c(Br)c(Br)nc1N2CCNCC2	1811
+C[Si](C)(C)c1ccc(cc1)C=C(F)c2nn(c(C)c2)Cc3ccnc(N4CCNCC4)c3	43
+C1CN(CCN1)Cc2cccc(C)c2	131
+C1CN(CCN1)c2c(cc(C(=O)OCC)c(n2)C)C#N	43
+C1CN(CCN1)c2c([N+]([O-])=O)cc(Cl)c(Cl)c2	34
+Clc1cc(cc(Cl)c1N2C=3C(=C(N2)C(C)C)C(=O)N=C(Cc4ccc(cc4)NC(=O)CN5CCNCC5)N=3)Cl	224
+C1CN(CCN1)c2nc(c3c(ccc(c3)Cl)n2)NN	549
+C1CNCCN1c2c3c(cc(cc3)Cl)on2	2573
+C1CN(CCN1)c2ccnc3cc(Cl)ccc23	264
+C1CN(CCN1)c2nc(Cl)ccc2	43
+FC(F)(F)Oc1cc2ccc(nc2cc1)N3CCNCC3	286
+FC(F)(F)S(=O)(=O)N1CCNCC1	6822
+C1CNCCN1c2c(C(=O)C)cc(Cl)c3cccnc23	1563
+FC(F)(F)c1cc(C(N2CCNCC2)c3ccccc3)ccc1	6823
+C1CNCCN1Cc2ccc3c(OC(F)(F)O3)c2	48
+C1CNCCN1c2sc(C#N)c(C)n2	641
+C1CN(CCN1)Cc2cccc(N=C3SC(=CN3COC)Br)n2	6824
+C1CNCCN1c2ccc(cc2N)[N+]([O-])=O	34
+C1CNCCN1CC(O)COc2c(OC)cccc2	170
+C1CNCCN1c2c(cccn2)OC	43
+C1CNCCN1c2ncc(Cl)cc2OC	323
+C1CN(CCN1)c2nccc(OC)c2	43
+C1CN(CCN1)c2ccc(S(=O)(=O)C)c(NC3CCCc4c(ccc(OC)c34)OC)c2	34
+C1CN(CCN1)c2cccc3n(ccc23)S(=O)(=O)c4c(C)cccc4	1578
+C1CNCCN1CCCC(c2c3cc(ccc3[nH]c2)F)=O	53
+C1CN(CCN1)c2sc(C(OC)=O)cn2	641
+C1CNCCN1c2cc(Cl)nnc2Cl	2558
+C1CNCCN1c2c3c4N(CCC3)C=C(C(=O)c4cc2)C(O)=O	202
+C1CNCCN1CCCCCC(=O)Nc2cc(OC)cc3c2nccc3C	28
+C1CNCCN1c2c(cc(OC)c(F)c2)F	79
+C1CN(CCN1)c2nc(c3c(c4c(cc(Br)cc4OC)[nH]3)n2)OCC	549
+C1CN(CCN1)c2noc3c2cc(cc3)C	2573
+C1CNCCN1c2c3c(ccc(C)n3)cc(Br)c2	6825
+C1CN(CCN1)CCCOc2cc(OC3CCOC3)c4c(ncnc4c2)Nc5cc(c(F)cc5)Cl	53
+C1CNCCN1c2ncc3ccccc3c2	43
+C1CNCCN1c2sc3c(n2)ccc(OC)c3	1912
+C1CNCCN1c2nc3ccc(cc3s2)[N+]([O-])=O	1912
+C1CN(CCN1)c2ncnc3ccc(nc23)-c4ccc(OC)c(C)c4	3940
+C1CNCCN1CCOc2c(cc(F)cc2)F	28
+C1CN(CCN1)Cc2c(F)cc(F)cc2	171
+C1CNCCN1C2=C(C(=O)N(C)c3ccc(cc23)F)C#N	1636
+C1CN(CCN1)c2c3ccccc3c([N+]([O-])=O)cn2	43
+C1CNCCN1c2nc3ccccc3cn2	549
+C1CN(CCN1)c2ccc3cc(OC)ccc3n2	286
+C1CN(CCN1)c2cnc(cc2)[N+]([O-])=O	244
+C1CN(CCN1)C(=O)Nc2cc(Cl)c(Cl)cc2	326
+C1CN(CCN1)c2cc(NCCNC(C)=O)nc(n2)-c3ccccc3	54
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCNCC4	1499
+c1cc(ccc1)C2=[N+](c3ccc(cc3N4CCN=C24)N5CCNCC5)[O-]	34
+C1CNCCN1c2nc(c3nc(Cl)c(NCc4ccccc4)nc3n2)N5CCC5	117
+c1cc(ccc1)S(c2ccc(cc2)Cc3csc(N4CCNCC4)n3)=O	641
+c1cc(ccc1N2CCNCC2)C(=O)OCC	34
+c1cc(ccc1Cl)-c2ccc(cc2)C(C)N3CCNCC3	1148
+C1CC(CCN1C)C(N2CCNCC2)c3ccc(cc3)F	1148
+C1CN(CCN1)C(c2ccc(cc2)Cl)c3ccccc3	2073
+c1cc(ccc1N2CCNCC2)C(=O)N	34
+C1CN(CCN1)c2nc(c(C(=O)N)cc2)Nc3ccc(cc3)C(N4CCOCC4)=O	43
+C1CN(CCN1)c2ccc(cc2)C(NCC)=O	34
+c1cc(ccc1F)CN2C(=O)C(=C(c3cc(C)ccc23)N4CCNCC4)C#N	1636
+C1CN(CCN1)C2=C(C#N)C(=O)N(Cc3ccc(cc3)F)c4ccccc24	1636
+C1CNCCN1c2ccc3c(c(ccc3)Br)n2	286
+C1CN(CCN1)CC2Oc3c(cccc3)C2	183
+C1CN(CCN1)c2ccc(C(=O)c3ccccc3C(OC)=O)cc2[N+]([O-])=O	202
+c1ccccc1CN2c3ccc(Cl)cc3C(N4CCNCC4)=C(C2=O)C#N	1636
+c1ccccc1Cc2c3ccccc3c(nn2)N4CCNCC4	212
+c1ccccc1Nc2c(ccc(c2)N3CCNCC3)[N+]([O-])=O	79
+O=S(=O)(N1CCNCC1)c2ccccc2	92
+c1ccccc1Sc2c(cc(cc2)N3CCNCC3)[N+]([O-])=O	34
+C1CNCCN1c2ccn3ncc(Br)c3n2	790
+C1CNCCN1c2cc(nc(C)n2)Nc3sc(C(Nc4c(C)cccc4Cl)=O)cn3	54
+C1CNCCN1Cc2nnc3nc(N)nc(c3n2)N	894
+C1CN(CCN1)CC(=O)Nc2cccc(-c3cnc4c(n3)cccc4)c2	224
+c1cc(ccc1N2CCNCC2)-c3cnc(nc3)N	79
+CC(C)(C)OC(=O)NC(C(=O)N1CCN(CC1)C(C(CC(C)C)NC(=O)c2sc3c(cccc3)c2)=O)CO	10
+CC(C)(C)OC(N1Cc2ccc(cc2CC1)CN3CCN(CC3)C(C4CCOCC4)=O)=O	48
+C1CN(CCN1CC(O)CCl)C(C2CCCO2)=O	170
+C1CN(CCN1c2nc3c(nc2)cccc3)C(=O)Nc4ccccc4C(OC)=O	1322
+C1CN(CCN1C(OCCCC)=O)C(=O)CNC(=O)OCc2ccccc2	10
+CC(C)(C)OC(=O)N1CCN(c2ncc(N3CCN(CC3)C(=O)OCc4ccccc4)cc2)c5ccccc15	244
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)C(OCc2ccccc2)=O	28
+CC(C)(C)OC(=O)NC(C(=O)N1CCN(CC1)C(OCc2ccccc2)=O)CC(C)C	10
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)C(N3CCN(CC3)C(OCc4ccccc4)=O)=O	30
+Cc1cccc(C)c1NC(=O)CCN2CCN(CC2)C(OCc3ccccc3)=O	3941
+O=S(=O)(Cc1c(ccc(N2CCN(CC2)C(OCc3ccccc3)=O)c1)[N+](=O)[O-])c4cccc5ccccc45	34
+C1CN(CCN1C(C)C)C(=O)c2c3c(c(c[nH]3)CN4CCOCC4)ccc2	85
+CC(C)(C)OC(Nc1cc(C)cc(CN2CCN(CC2)C(C)=O)c1)=O	48
+C1CN(CCN1C(C)=O)c2ccc([N+](=O)[O-])c(c2F)OC	34
+C1CN(CCN1C(C)=O)c2cc(ncc2)Nc3ncc(-c4cc(C(=O)O)cnc4)s3	264
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCC(N5CCN(CC5)C(=O)C)C)CC2	85
+C1CN(CCN1C(C)=O)c2cc(C)c(N)c([N+](=O)[O-])c2	79
+C1CN(CCN1C(C)=O)C(=O)c2cc(ccc2)-c3c4cc(ccc4ncn3)Br	30
+C1CN(CCN1c2cc(c([N+](=O)[O-])cc2)C#N)C(C)=O	34
+C1CN(CCN1C(C)=O)c2ccc(nc2)[N+]([O-])=O	244
+C1CN(CCN1c2cc(C)c([N+]([O-])=O)cc2)C(C)=O	34
+c1cc(ccc1C=C)N2CCN(CC2)C(C)=O	79
+c1cc(ccc1N2CCN(CC2)C(C)=O)C=O	34
+C1CN(CCN1C(=O)C)c2ccc(cc2)N3C4CN(CC4CC3)C	79
+C1CN(CCN1C(=O)C)c2cc(c(CN3CCCCN(S3(=O)=O)c4ccccc4)cc2)F	79
+C1CN(CCN1Cc2cc(Cl)nc(Nc3ncc(C#N)s3)c2)C(=O)NC	171
+C1CN(CCN1C(=O)NC)Cc2c(cnc(Nc3ncc(C#N)s3)c2)C	171
+c1cc(ccc1Oc2cccc(CN3CCN(CC3)C(=O)Nc4noc5c4cccc5)c2)Cl	48
+C1CN(CCN1c2ncnc3c2CCN(Cc4ccccc4)CC3)C5CCC5	54
+C1CN(CCN1C2CCC2)C(=O)OC3CCN(CC3)c4nnc(O)cc4	1011
+C1CN(CCN1c2nc(N)ccn2)C3CCCC3	117
+C1CCCCC1N2CCN(CC2)CCCCn3c4ccccc4nn3	53
+C1CN(CCN1C2COC2)c3c(cc([N+]([O-])=O)cc3)F	34
+C1CN(CCN1CCN2c3c(cccc3)NC2=O)C4Cc5ccc(OC)cc5Sc6c4cc(SC)cc6	53
+C1CN(CCN1CC(=O)c2cc(OC)c(cc2)OC)C=3C(=O)C=CC=CC=3	676
+C1CN(CCN1C(C23CCC4(C(CCC5C6(C(CCC45C)C(C)(C)C(OC(=O)C)CC6)C)C2C(C(C)=C)CC3)C)=O)CC	58
+C1CN(CCN1CC)c2nccc([N+]([O-])=O)c2	43
+FC(F)(F)c1cc(ccc1C(N2CCN(CC2)CC)=O)N	30
+C1CN(CCN1CC)CC(=O)Nc2nccc(c2)Oc3ccc(c([N+](=O)[O-])c3)NC	224
+C1CN(CCN1CC)c2c(C=O)c(ccc2)Cl	34
+C1CN(CCN1c2cc(Cl)c(cc2)C=O)CC	34
+C1CN(CCN1CC)c2cc(C#N)c3c(C(N(C=N3)c4cc(C(=O)OC)ccc4C)=O)c2	560
+C1CN(CCN1CC)c2nc3c(cccc3)c(C)c2	286
+C1CN(CCN1CC)C(=O)OCc2cnc(C)cc2	1011
+C1CN(CCN1S(=O)(=O)c2sc3cc(ccc3c2)Cl)CC#N	1147
+C1CN(CCN1CC(COc2c(OC)cccc2)O)CC(Nc3c(cccc3C)C)=O	224
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N2CCN(CC2)CC(O)COc3cccc4[nH]c5c(cccc5)c34	92
+C1CN(CCN1CCOc2c(cc3c(c(Nc4cc(ccc4)Br)ncn3)c2)OC)CC(=O)OCC	28
+C1CN(CCN1C(c2ccccc2)=O)CC(=O)OCC	115
+C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC	61
+C1CC1CN2CCN(CC2)C(c3ncc(cn3)Br)=O	2090
+C1CNCCN1CCCCc2c3cc(F)ccc3[nH]c2	1283
+CC(C)(C)OC(N1CCN(CC1)CCCC(c2c3cc(ccc3[nH]c2)F)=O)=O	23
+C1CNCCN1CCCCCCNc2c3nccc(C)c3cc(OC)c2	15
+c1cc(ccc1CBr)C(=O)N2CCN(CC2)CCCCCCCCCCCCCCCCCC	115
+C1CN(CCN1C(=NC#N)SC)CCCCCCNc2c3nccc(C)c3cc(OC)c2	6826
+C1CN(CCN1CCCNC(C2CCCCC2)=O)c3nc(ccc3)[N+](=O)[O-]	43
+CC(C)(C)OC(N1CCN(CC1)CCCO)=O	23
+C1CN(CCN1C=O)CCN	6827
+FC(F)(F)c1[nH]c2c(c(OCCN3CCNCC3)ccc2)n1	1640
+C1CNCCN1CCOc2cccc(c2N)N=[N+]=[N-]	0
+C1CNCCN1CCOc2c(c(N)ccc2)N	912
+C1CN(CCN1CCc2ccc(cc2)Cl)C(c3ccc(cc3)[N+](=O)[O-])=O	30
+c1cc(ccc1CCN2CCN(CC2)CC(c3ccc(cc3)[N+](=O)[O-])=O)[N+]([O-])=O	676
+C1CN(CCN1C(CCc2cc(c(cc2)N(C)c3ccc([N+](=O)[O-])cn3)OC)=O)Cc4ccc5OCOc5c4	1857
+C1CN(CCN1Cc2cc3OC(F)(F)Oc3cc2)C(=O)Nc4cccnc4	437
+C1CNCCN1Cc2cc(-c3oc4c(cccc4C(=O)N)n3)ccc2	2692
+C1CN(CCN1CC#N)Cc2n(CCOCC)c3ncccc3n2	1321
+C1CN(CCN1Cc2cc3ccccc3cc2)Cc4nnc5c(c(N)nc(N)n5)n4	131
+CC(C)(C)OC(=O)N1CCN(CC1)N	23
+O=S(=O)(N1CCN(CC1)Cc2sc3c(c2)c(nc(Cl)n3)N4CCOCC4)C	509
+c1cc(ccc1N2CCN(CC2)S(=O)(=O)C)C(c3ccccc3C)CC(=NO)c4ccnc(C)c4	79
+O=S(=O)(C)N1CCN(CC1)C(=O)C(CCC(=O)OC)NC(=O)c2ccc(cc2)F	10
+c1cc(ccc1)-c2nn(CC(=O)N3CCN(CC3)S(=O)(=O)C)c4c2c(c(nn4)-c5ccccc5)Cl	10
+O=S(=O)(N1CCN(CC1)Cc2cc3c(C(Br)=CN(C3=O)C)o2)C	2693
+O=S(=O)(CC)N1CCN(CC1)c2cnc3N=CN(C(c3n2)=O)C	2089
+C1CN(CCN1S(=O)(=O)N)S(=O)(=O)CC	2694
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)CC	183
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C)C(=O)c3ccccc3	115
+CC(C)(C)OC(N1CCN(CC1)c2c3c(n[nH]c3)ncc2-c4ccccc4)=O	23
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4c(cc([N+]([O-])=O)cc4)C#N	1109
+C1CNCCN1c2ccccc2CO	49
+c1cc(ccc1C(C)C)CC(N2CCN(CC2)c3c(c(ncn3)N)C=NOCC)=O	10
+C1CNCCN1c2c(F)cc3C(=O)C(C(O)=O)=C4SC(C)N4c3c2F	108
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2c(N(S(=O)(=O)C)C)cccc2)Cc3ccc(cc3)Cl)=O	10
+C1CN(CCN1C(=O)C)c2c(nccn2)OC3CCN(CC3)c4ccc5ccccc5n4	58
+CC1(C)C(Nc2ccc(cc2C1)C(=O)OCC)c3cc(N4CCN(CC4)c5c(cc(C)cc5)C)ccc3	79
+CC1(C)CC(c2cccc(N3CCN(CC3)c4c(cc(C)cc4)C)c2)Nc5ccc(cc15)C(OCC)=O	79
+CC(C)(C)c1ccc(cc1)C(CCCN2CCN(CC2)c3cc(F)c(OC)cc3F)=O	53
+c1cc(ccc1)C(=O)CCN2CCN(CC2)c3cc(F)c(OC)cc3F	1644
+C1CN(CCN1)c2c(F)cc3c(NC(=S)N3)c2	1357
+C1CN(CCN1C(c2c(C)onc2-c3ccccc3OC)=O)c4cc(N)c(cc4Cl)[N+](=O)[O-]	2560
+C1CN(CCN1c2c(cc(cc2)[N+](=O)[O-])Cl)C(C(C)C)=O	58
+C1CN(CCN1c2ccccc2OC)CCC(=O)OCC	1877
+C1CN(CCN1)c2cc([N+]([O-])=O)ccc2OC	31
+C1CN(CCN1C(=O)CCc2c([nH]c3ccc(cc23)Cl)-c4ccc(cc4)Cl)c5c(OC)cccc5	10
+c1cc(ccc1C2(CCC2)C(N3CC(CN4CCN(CC4)c5c(OC)cccc5)CCC3)=O)Cl	123
+FC(F)(F)c1ccc(cc1)-c2nn(c3c2CN(CC3)S(=O)(=O)C)CCCN4CCN(CC4)c5c(cccc5Cl)[N+](=O)[O-]	61
+C1CN(CCN1CCC(C(=O)N2CCCCCC2)c3ccccc3)c4c5cc([nH]c5ccc4)C(OC)=O	53
+C1CN(CCN1c2noc3cc(ccc23)Cl)CCCCOc4cc5NC(=O)CCc5cc4	53
+CC(C)(C)OC(N1CCN(CC1)c2cc(Br)cc3c2nc(C)cc3)=O	23
+c1cc(ccc1CCN2CCN(CC2)c3cccc4c3nc(CCC(=O)OC)cc4)OCCCN5CCCCCC5	123
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(nc5c4cc(CC)s5)Cl)=O	115
+C1CN(CCN1c2ccc3c4c2CCCN4C=C(C3=O)C(O)=O)S(=O)(=O)C	112
+C1CN(CCN1c2cccc3c2ccc(C)n3)CCc4cccc([N+](=O)[O-])c4	123
+C1CN(CCN1c2c3c(nc(cc3)C)ccc2)CCc4cc(ccc4F)Br	61
+C1CN(CCN1c2c3ccccc3sn2)C(=O)c4c(ccc(c4)S(=O)(=O)C)OC(C)C	30
+CC1(C)CC(Nc2c(cc(cc12)CCCN3CCN(CC3)c4nsc5c4cccc5)CC)=O	53
+c1cc(ccc1)C(=O)N2C(N(C3CCCCC23)CCCCN4CCN(CC4)c5nsc6ccccc56)=O	28
+C1CN(CCN1CCc2cccc(C)c2[N+](=O)[O-])c3nsc4c3cccc4	236
+C1CN(CCN1CCc2c(cccc2)[N+]([O-])=O)c3nsc4c3cccc4	236
+C1CN(CCN1c2nsc3c2cccc3)CCc4ccc(cc4)[N+]([O-])=O	236
+C1CN(CCN1c2cc(cc3c2nccc3)C)CCc4c5c(oc4)cc(cc5)OC	183
+C1CN(CCN1)c2cc(Cl)nnc2N(C)C	212
+C1CN(CCN1CCCCC)c2c(C=3CCC(C)(C)CC=3)ccc(OC)c2	61
+C1CN(CCN1c2cc(c(cc2)NS(=O)(=O)C)C)CCc3ccc(cc3)NS(=O)(=O)C	123
+C1CN(CCN1c2cccc(-c3c(F)cc(F)cc3)c2)C(Nc4nnccc4)=O	2076
+C1CN(CCN1c2cccc(OC)c2)C(=O)c3c(-c4cc(ccc4)F)noc3N	2560
+C1CN(CCN1c2c(OC)ccc(-c3ccccc3)c2)C(=O)Nc4cc(c(cc4OC)C)C	437
+C1CN(CCN1C(Nc2c(C)c(C)no2)=O)c3nccc(c3)-c4c(F)c(F)ccc4	2076
+CC(C)(C)OC(c1c(-c2ccc(cc2)Cl)c3sc(nc3cc1C)-c4ccnc(N5CCNCC5)c4)C(OCC)=O	6828
+CC(C)(C)OC(N1CCN(CC1)c2ccc3[nH]nc(S(=O)(=O)c4c5c(ccc4)cccc5)c3c2)=O	23
+C1CN(CCN1CCCCc2c3c(ccc(C#N)c3)[nH]c2)c4cc5cc(C(=O)OC)oc5cc4	236
+C(C)N(CC)C(C(c1ccccc1)N2CCN(CC2)c3c(cc(cc3)C=O)F)=O	6829
+C1CN(CCN1C(CN2C(Oc3cc(ccc23)O)=O)=O)c4ccc(Cl)c(c4)OC	10
+C1CN(CCN1C(=O)Oc2ccc(cc2)[N+]([O-])=O)c3ccc(F)cc3F	66
+C1CN(CCN1S(=O)(=O)C)c2ccc(cc2)-c3c4c5c(scc5)c(O)nc4ccc3OC	112
+C1CN(CCN1c2nnc(cc2)Cl)c3ccc(cc3)N4C5CN(CC5CC4)C	212
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)O)=O	23
+C1CN(CCN1c2c(N)cc(cc2)[N+]([O-])=O)C(=O)c3ccccc3	115
+C1CN(CCN1c2cccc3c2cccc3)CCc4ccc5NC(Cc5c4)=O	53
+C1CN(CCN1CCc2c3ccc(cc3oc2)OC)c4c5ncccc5ccc4	183
+CC(C)(C)OC(NC(Cc1ccc(cc1)Cl)C(=O)N2CCN(CC2)c3ccccc3CN(C)C)=O	10
+c1cnccc1OCc2c(N3CCNCC3)cccc2	260
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccccc2[N+]([O-])=O	23
+C1CN(CCN1c2c(cccc2)[N+]([O-])=O)Cc3ccccc3	131
+C1CN(CCN1c2nc3c(Br)cnn3cc2)C(=O)OC(C)C	66
+C1CN(CCN1c2nc3c(c(N)n2)cc(OC)c(OC)c3)C#N	739
+C1CNCCN1c2nc3c(nc(c(N4CCS(CC4)=O)n3)SCCC)c(N5CCOCC5)n2	3483
+CC(C)c1cc(nc(n1)N2CCN(CC2)S(=O)(=O)c3ccc(cc3)OC)Nc4ccc(cc4)C	92
+CC(C)Oc1c(cc(S(=O)(=O)C)cc1)C(N2CCN(CC2)c3nc4c(cc([N+]([O-])=O)cc4)s3)=O	30
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3nc(OC4CC(C=C4)OC5OCCCC5)c6ccccc6n3	66
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncc3c(c2)cccc3	23
+C1CN(CCN1c2ncccc2[N+]([O-])=O)C(OCc3ccccc3)=O	66
+CC(C)(C)OC(N(C)CCN1CCN(CC1)c2c(nccn2)Cl)=O	61
+C1CN(CCN1c2c(OC)cncn2)CCCc3c4c(ccc([N+](=O)[O-])c4)[nH]c3	28
+CC(C)c1onc(N2CCN(CC2)c3c(C#N)cc(cn3)Br)n1	43
+C1CN(CCN1CCCCc2c3cc(ccc3[nH]c2)C#N)c4sc(C#N)c(n4)C	236
+CC(C)Oc1c(cc(S(=O)(=O)C)cc1)C(N2CCN(CC2)c3sc4c(n3)ccc(OC)c4)=O	30
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2nc3c(cc(cc3)C(OC)=O)s2)Cc4cccs4)=O	10
+C1CN(CCN1c2scc(-c3ccccc3F)n2)C(OCC(C)C)=O	66
+C1NCCN(CCNCCNC1)CC(=O)NCc2nc3c(c4ccccc24)cccc3	224
+c1cc(ccc1-c2c(oc(n2)-c3cccc(Cl)c3F)C4CCCCC4C(=O)OC)N5CCS(=O)(=O)CC5	79
+C1CN(CCS1(=O)=O)C(=O)Oc2ccc(cc2)[N+]([O-])=O	66
+c1cc(ccc1Cl)-c2cc(C(=O)N3CC[Si](C)(C)CC3)c(C)n2-c4ccc(cc4)Cl	211
+C1CCC2c3c(F)ccc4c3N(CCNCC4)C12	6830
+CC(C)(C)OC(N1CCc2occc2CC1)=O	23
+CC(C)(C)NC(N1Cc2c(C(=O)N)c(c(Br)n2CC1)-c3cc(ccc3)F)=O	384
+CC(C)(C)OC(=O)N1CCn2c(c(C(OCC)=O)c(-c3cccc(F)c3)c2Cl)C1	23
+c1ccccc1CC(N2CCCc3c2c4c(cn3)cccc4)=O	2052
+CC(C)(C)c1cc(c(CCO)cc1)C(C)(C)C	2589
+C(CCC)CCCCN1C(=O)C2(C(C)C(N(CCO)C(CC)(C)C2)(CC)C)NC1=O	170
+C(O)Cn1ccc2ccccc12	2695
+c1cc(ccc1CCOC2OCCCC2)CCO	2589
+c1(CCO)cc(C)cs1	6831
+C1COC(O1)(C2OCC(N(Cc3ccccc3)C2)=O)C	467
+C1COC(O1)(C)Cc2cccc(NC(=O)NCc3ccccc3)c2	406
+C1COC(O1)(C)Cc2cc(N)ccc2	0
+c1cc(ccc1)CNC(=O)Nc2cc(ccc2)CC(=O)C	97
+C1COC(O1)(C)c2cc(CO)ccn2	2696
+O=S(=O)(C)OCc1cc(C2(OCCO2)C)ncc1	7
+C1COC(O1)(C)c2ccc(s2)CC(O)=O	459
+c1cc(ccc1)CN2CC(OCC2)C3(OCCO3)C	15
+O1CCOC1(CC2(CC2)O)c3c(ccc(c3)Br)F	6832
+O=C(CC(CC(OC)=O)O)C	97
+C1COC(O1)(C)CCC#CCCCC#N	913
+O1CCOC1(C)CCC(=O)O	3
+C1COC(O1)(CCC)CCOc2ccnc(CS(c3nc4ccccc4[nH]3)=O)c2C	172
+c1ccccc1[Si](c2ccccc2)(OC3CC4OC(CC4C3CCC5(OCCO5)COc6cccc(Cl)c6)=O)C(C)(C)C	328
+C1COC(O1)(CCCCn2ncc([N+](=O)[O-])c2)C	338
+C1COC(O1)(CCCCn2cc(N)cn2)C	209
+O1CCOC1(C)CCCNc2c([N+]([O-])=O)cnc3ccccc23	105
+c1cc(ccc1F)C(=O)CCCN2CC(CCC2)CO	1367
+CC(C)(C)OC(N(CC(=O)OCC)CCCC1(OCCO1)C)=O	663
+O1CCOC1(CCOc2c(C)c(C)[n+]([O-])cc2)CCC	857
+C1COC(O1)(c2cccc(CC3=NC(CO3)C(=O)OC)c2)C	3942
+C1COC(O1)(c2ccc(s2)CC3=NC(CO3)C(=O)OC)C	3942
+C1COC(O1)(C)c2ccc(s2)Cc3occ(C(=O)OC)n3	3943
+c1(Cl)cc2c(o1)ccc(c2)C(CC)=O	1367
+C1COC(O1)(c2cccc(Cc3occ(C(=O)OC)n3)c2)C	3943
+c1c(cc(Cc2occ(n2)C(=O)OC)cc1)C(=O)C	1367
+C1COC(O1)(C)c2cccc(CC(O)=O)c2	3
+CC(C)(C)OC(N1CC(C1)OCCO)=O	6833
+CC(C)(C)OC(Nc1cc(Cl)c(c(c1)Cl)OCCO)=O	2091
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCCO)CC2	2091
+c1(C=O)cccc(OCCO)c1	2091
+c1cc(ccc1OCCO)SC(CC)C	2091
+O=C(OCC)C(=Cc1cc(c(cc1)-n2cc(nc2)C)OC)CCCC=O	812
+O1CCOC1CCN(C(c2cc(-c3c(Cl)c(OC(F)F)n(n3)C)c(cc2Cl)Cl)=O)C	30
+COc1cc2c(cc1)C(=CC(=O)N2CC=O)C	812
+c12ncc(OC)cc1N(C(=O)C=C2)CC=O	812
+N1(C(c2cc(ccc2C=C1)C(=O)OC)=O)CC=O	812
+COc1cccc2c1C=CC(=O)N2CC=O	812
+O1C(c2c(cc(CC=O)cc2)C1)=O	812
+O1CCOC1c2ncc(F)cc2N	13
+CC(C)(C)OC(NCCOCCOCCOCCOc1cc(C2OCCO2)cc(OC)c1OC)=O	37
+C1COC(O1)c2cc(OCCOCCOCCOCCN)c(OC)c(c2)OC	18
+c1(C=O)ccc(Oc2ncc(nc2)C(=O)N)c(F)c1	494
+c1cc(ccc1C=O)-c2nnc(-c3ccccc3[N+](=O)[O-])o2	494
+OB(O)c1c(ncc(C2OCCO2)c1)F	2698
+COC(OC)C(O)(C)c1sc(C=O)nc1	6834
+O1CCOC1c2ncccc2N	13
+C1CC(CCC12OCCO2)(CC)CO	95
+C1CC(CCC1(C)O)=O	97
+O1CCOC12CCC(CC2)(C)OC	76
+C1CC(CCC1=O)(OC)Cc2ccccc2C	97
+C1COC2(O1)CCC(c3c(OCOC)cc(OCOC)cc3)=CC2	252
+C1CC(CCC1=O)C=C	97
+C1COC2(O1)CCC(CC2)C3CO3	553
+C1CC2(CCC1C(N(C)C)C#N)OCCO2	6835
+C1CC(CCC1CCO)=O	97
+c1ccccc1COCCC2CCC3(CC2)OCCO3	149
+C1CC(CCC1CO)=O	97
+C1CC2(CCC1COS(=O)(=O)C)OCCO2	7
+C1CC2(OCCO2)CCC1COCc3ccccc3	149
+C1CC(CCC1N(S(=O)(=O)c2ccc(cc2)Nc3nccc(Nc4ccc(cc4)F)n3)CCN5CCCC5)=O	97
+C1COC2(O1)CCC(CC2)N3C(C(CC3)Cc4c(Cl)cc(cc4Cl)OC)=O	1554
+C1CC(CCC12OCCO2)N(CC)C(OCc3ccccc3)=O	66
+C1COC2(CCC(CC2)Nc3[nH]ncc3)O1	3715
+C1COC2(CCC(CC2)OS(=O)(=O)C)O1	7
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(nc3)C4CCC5(OCCO5)CC4)ncnc12	1647
+C1CC(CCC1n2cc(cn2)I)=O	97
+c1cc(ccc1)C23c4c(CCC2C(C5(OCCO5)CC3)C)c(OC)nc(n4)-c6ccccc6OC	145
+c1ccccc1C=2CCN(CC3CCCC4(OCCO4)C3)CC=2	15
+c1ccccc1COC(=O)NC2CCC3(OCCO3)CC2(C)C	101
+C1COC2(O1)CC=C(CC2)c3c(ccc(C(OC)=O)n3)F	128
+C1CC2(CCC1(N)C)OCCO2	102
+O1CCOC12CCC(CC2)Cc3c(cccc3)Cl	1028
+C1COC2(CCC(CC2)C(CN=[N+]=[N-])O)O1	1648
+C1CC(CCC1=O)CC(=O)O	97
+C1CC(CCC1=O)N2C(=O)C(=C(n3ncnc23)CCC)Cc4ccc(cc4)-c5ccccc5C#N	97
+c1(Cl)cc(cc(Cl)c1CC2C(N(C3CCC(CC3)=O)CC2)=O)OC	97
+C1CN(CCO1)C2CCC(CC2)=O	97
+FC(F)(F)C(=O)N(C(C)c1ccccc1)C2CCC3(OCCO3)CC2	520
+C1COC2(CCC(CC2)N(CCN3CCCC3)S(=O)(=O)c4ccc(cc4)Nc5nccc(Nc6ccc(cc6)F)n5)O1	92
+C1CC(CCC12OCCO2)c3c(cc(OCOC)cc3)OCOC	191
+C1CN(CCN1c2ccccn2)CC3CCCC4(OCCO4)C3	15
+C1COC2(O1)CC(C(N3CCC(=CC3)c4ccccc4)=O)CCC2	2699
+C1CN(CCC1=O)Cc2cc(c(cc2)F)F	97
+O1CCOC12CCN(CC2)c3nc4ccccc4n3Cc5ccc(cc5)F	505
+CC(C)C(NC(=O)OC)C(N1CC2(OCCO2)CC1C(=O)O)=O	4
+C1COC2(O1)COC(CCCC=O)(C)CCC2	24
+C1COC2(O1)CCCC(CCCC(C)=O)(C)OC2	86
+C1COC2(O1)COC(CCCC(O)C)(CCC2)C	2700
+C1COC2(O1)COC(OC2)(CCOc3ccnc(CSc4nc5ccccc5[nH]4)c3C)CC	3944
+C1COC2(O1)COC(OC2)(CC)CCOc3ccnc(CO)c3C	813
+C1COC2(O1)COC(OC2)(CCOc3c(C)c(CS(c4nc5ccccc5[nH]4)=O)ncc3)CC	172
+c1ccccc1COC(=O)NCc2nc(c3COCCc3n2)O	3945
+CC(C)(C)OC(n1cc(c2nccc(Cl)c12)C(NC3CCOCC3O)=O)=O	3946
+CC(C)(C)OC(n1c2c(c(C(NC3CCOCC3O)=O)c1)nccc2C)=O	3946
+CC(C)(C)OC(NCC1CCC(CC1)CNC(c2cc(nc3ccccc23)-c4cnc(cc4)OCC5COCC5)=O)=O	430
+O=S(=O)(OCC1COCC1)C	710
+c1cc(ccc1S(=O)(=O)OCC2CCOC2)C	36
+n1c(nc(Cl)c(C)c1NC2COCC2)Cl	40
+FC(F)(C)C(=O)NC(C)C(Oc1cc2cnn(-c3cccc(C(NC4COCC4)=O)c3)c2cc1)c5ccc(OC)nc5	2527
+C(=O)(OC1CCOC1)Cl	2701
+c1(COC2CCOC2)ncccc1	2702
+c1cc(ccc1C=O)OC2CCOC2	20
+C1COCCC1(C#N)c2cc(cc(c2)F)Sc3ccc4c(ccc5cnc(C)n45)c3	1336
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(cc(C3(CCOCC3)C(=O)OC)cc2)C=4CCCCC=4	616
+c1cc(ccc1C2(CCOCC2)C(OC)=O)OCCCN3CCCC3	27
+C1COCCC1(CN)C	51
+c1cc(ccc1C2(CCOCC2)CCN)F	51
+C1COCCC1(C)CNc2cccc(n2)Br	182
+O=S(=O)(C)OCC1(CCOCC1)F	7
+C1COCCC1(c2scc(COc3cc(Cl)cc4oc(-c5nc6n(nc(OC)s6)c5)cc34)n2)F	3947
+C1CC(CCO1)(C2=CC=CC(=C=[N-])[N+]2=O)O	1649
+C1CC(CCO1)(C(=O)OC)c2cc(cc(OCc3ccc4c(c3)nc(cc4Cl)Cl)c2)F	22
+c1cc(ccc1)COc2cc(cc(F)c2)C3(CCOCC3)C=O	24
+C1COCCC1(C(=O)OC)c2cc(C3=CCCCC3)c(N)cc2	563
+C1CC(CCO1)(c2ccc(cc2)CCCNC(c3cccc4ccccc34)C)C(=O)NCC(=O)OC	188
+C1COCCC1(OC)c2cccc(COc3c4c(cc(c3)OC)oc(-c5nc6n(nc(C(C)F)s6)c5)c4)n2	1963
+C1COCCC1(O)c2cccc(n2)CN	421
+CC(C)(C)OC(=O)CNC(=O)C=1C(=O)C2(CCOCC2)c3ccccc3C=1O	3948
+c1cc(ccc1Cl)C=2C(NC3(CCOCC3)N=2)=O	6836
+C1COCCC1Cc2ccc(OC)cc2[N+](=O)[O-]	1028
+C1COCCC1(C)C#N	6837
+C1COCCC1CNC	6838
+C1COCCC1C(=O)c2sc(C(OC)=O)c(c2)N=CN(C)C	6839
+C1CC(CCO1)C(=O)c2cc3c(s2)C(=O)N(c4ccc(cc4)N5CCN(CCC5)C)C=N3	3949
+C1COCCC1C(C)Nc2nc(Br)c(Cl)cc2	395
+C1COCCC1C(C)Nc2cccc(Br)n2	182
+CC(C)(C)OC(=O)N(C(C(=O)NC(C1CCOCC1)C(=O)N2C(Cc3cccnc23)C(OCC)=O)C)C	207
+C1COCCC1C(N)C	18
+C1CC(CCO1)c2nc3cnc4cc(-c5c(noc5C)C)c(cc4c3n2C(COC)C)OC	6840
+C1CC(CCO1)C2c3ccccc3N(CC(N)=O)CC2	3950
+C1COCCC1C2c3c(NCC2)cccc3	15
+CC1(C)CC(C)(C)C=C(C1)c2c(N3CCN(CC3)CC4CCOCC4)cccc2F	61
+C1CC(CCO1)C(C2CC(OC)=C(c3c(C)cc(cc3C)Br)C2=O)O	6841
+C1COCCC1CN2c3ccccc3C4(c5cc(OC)ncc5OC4)C2=O	988
+c1cc(ccc1C=CC(=O)OC)C2CCCN2CCc3c(C)nn(c3C)CC4CCOCC4	338
+C1CC(CCO1)CC(c2ncc(cc2)SC)C(=O)CCC(=O)c3ccccn3	3711
+C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4	2605
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)c4ccc(-c5sc(cn5)C(O)(C)C(OC)OC)[nH]4	3951
+C1CC1S(=O)(=O)c2ccc(cc2)C(CC3CCOCC3)c4ccc(-c5sc(C6OC(C)(C)OC6)cn5)[nH]4	3951
+FC(F)(F)c1c(C(=O)N(CC2CCOCC2)C)cnc(Nc3cccc(Cl)c3)n1	1369
+C1CC(CCO1)CN(C)C(=O)c2ccc3c(non3)c2	115
+C1COCCC1CNC(=O)c2cnc(cc2)N3C(C(c4ccc(cc4C)C#N)C=N3)=O	2477
+FC(F)(F)Cc1nc2cc(N(S(=O)(=O)c3ccccc3)C)ccc2n1CC4CCOCC4	953
+CC(C)(CC)C(Nc1cc(ccc1NCC2CCOCC2)NC(C)=O)=O	26
+C1COCCC1CNc2c(N)cc(cc2)NC(C)=O	0
+C1COCCC1CNc2c(N)cc(cc2)N(C)S(=O)(=O)c3ccccc3	0
+CC(C)(C)c1n(c2ccc(N(C(=O)C)CC)cc2n1)CC3CCOCC3	849
+C1CC(CCO1)Cn2c(nc3c2ccc(N(C(=O)C)CC)c3)C(C)(C)O	953
+C1COCCC1CNc2c(cc(cc2)N(C(C)=O)CC)N	0
+CC(C)(C)OC(=O)N(CC1CCOCC1)c2n3ncc(c3nc(Cl)c2)Br	1157
+C1COCCC1COc2cc(ccc2)Br	885
+FC(F)(F)C(=O)NCC=Cc1cccc(OCC2CCOCC2)c1	858
+C1COCCC1Cc2c(cc(cc2)OC)N	0
+C1COCCC1Cn2c3c(nc2C(C)(C)CC)cc(cc3)N	106
+C1COCCC1Cn2c(nc3c2ccc(S(=O)(=O)n4ncc(c4)C(=O)NC(C)C)c3)C(C)(C)CC	597
+C1COCCC1Cn2c(nc3c2ccc(S(=O)(=O)n4cc(C(O)=O)cn4)c3)C(C)(C)CC	6842
+C1COCCC1Cn2c(nc3c2ccc(S(=O)(=O)n4ncc(c4)C=O)c3)C(C)(C)CC	3952
+C1COCCC1Cn2c3c(nc2C(C)(C)OC)cc(cc3)NCC	621
+CC(C)(C)OC(N1CCN(CC1)c2c3ccncc3cc(n2)-c4ccnc(NC5CCOCC5)c4)=O	70
+CC(C)(OCC)c1c(CC2CCC(CC2)(F)F)n3c(n1)cc(cc3C)C(NC4CCOCC4)=O	14
+CC(C)NC(=O)C1CCN(CC1)c2c3c(cc(n2)-c4ccnc(NC5CCOCC5)c4)cncc3	70
+C1CC(CCO1)Nc2c3c(n(C(C)C)nc3C)nc(-c4cc(O)ccc4)c2C(=O)OCC	1594
+C1CC(CCO1)Nc2cc(-n3c4c(c(C)c3)C(CC(C)(C)C4)=O)ccc2C(N)=O	6843
+C[Si](C)(C)CCOCn1cc(C(NC2CCOCC2)=O)c(n1)-c3sc4c(CCCC4)n3	597
+C[Si](C)(C)CCOCn1c2c(c(NC3CCOCC3)nc(Cl)n2)c(-c4ccncc4)c1	974
+C1COCCC1NC(=O)c2nn(c(OCc3c(onc3-c4ccccn4)C)c2)C	658
+C1COCCC1NC(c2ccc(NCc3c(noc3C)CCCC)nc2)=O	56
+C1CC(CCO1)Nc2cc(nc3cc(nn23)C(=O)OCC)Cl	1005
+C1COCCC1Nc2nc(Cl)ncc2Br	40
+C1CC(CCO1)Nc2nc(N)nc(c2N)Cl	40
+C1COCCC1Nc2c(C#N)ccc(c2)-c3cccc4C(CCCc34)=O	60
+C1COCCC1Nc2ncc3C=C(c4cc(C(=O)NC5CC5)ccc4C)C(=O)N(C)c3n2	435
+C1COCCC1Nc2ncc3C=C(C(=O)N(C)c3n2)c4cc(-c5nnc[nH]5)ccc4C	785
+C1CC(CCO1)NCCCCn2c(nc3c2nc(nc3N)OC(CCC)C)OC	284
+C1COCCC1Nc2c(cc(cc2)C(=O)O)[N+]([O-])=O	60
+C1COCCC1Nc2c(cnc(-c3c4cnccn4nc3)n2)[N+]([O-])=O	40
+C1COCCC1Nc2c3cnn(CC)c3ncc2C(OCC)=O	1594
+c12-c3c(cccc3)C(c1cccc2)COC(NC(c4nc(c5c(Cl)cccc5c4)C(=O)NC6CCOCC6)C)=O	81
+C1COCCC1Nc2cc(ccc2C#N)F	60
+C1CC(CCO1)NC(c2cnc(OCc3c(noc3C)-c4ccccc4F)cc2)=O	1650
+C1CC(CCO1)NC(=O)c2c(Oc3ccc([N+]([O-])=O)cc3F)cc4cnn(C5OCCCC5)c4c2	14
+c1cc(ccc1)-c2noc(C)c2-c3oc(-c4c(OC)cc(cc4)NC5CCOCC5)nn3	60
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(cn3)C(NC4CCOCC4)=O)F	1650
+c1cc(ccc1F)-c2c(n(nn2)C)C#Cc3ccc(C(NC4CCOCC4)=O)cn3	56
+CC1(C)C(C)(C)OB(O1)c2cnc(N(C)C3CCOCC3)cc2	234
+C1COCCC1N(c2ncc(N)cc2)C	13
+C1COCCC1N(CC)c2c3c(ccc2)C(NCc4c(O)nc(C)cc4C(CC=CC3)C)=O	104
+C1COCCC1N(c2cccc3C(=O)NCc4c(nc(cc4C(C)CCCCc23)C)O)CC	460
+C1COCCC1N(CC)c2c3CC=CCC(C)c4c(CNC(c3ccc2)=O)c(nc(c4)C)OC	2463
+C1COCCC1N(c2c(CC=C)c(C(=O)NCc3c(nc(cc3C(CC=C)C)C)OC)ccc2)CC	14
+C1COCCC1N(c2c(c(C(O)=O)ccc2)CC=C)CC	1
+C1COCCC1N2c3nc(ncc3NC2=O)Nc4c(O)nccc4	104
+C1CC(CCO1)N2C(=O)C3(COCCN3c4c2cnc(Cl)n4)C	3719
+C1COCCC1N2CCN(C(Nc3ccc(Oc4cc(ncc4)-c5cn(nc5)C)cn3)=O)C2=O	3953
+FC(F)(F)S(=O)(=O)Oc1c2c(n(C3CCOCC3)n1)ccnc2OC	3801
+C1CC(CCO1)N2C(=O)N(C(=O)c3cc(CN)ccc23)Cc4ccc(OC)c(c4)OC	107
+C1CC(CCO1)N2c3c(N(C)C2=O)cnc4ccc(Br)cc34	3954
+C1COCCC1N(C)c2ccc(cn2)[N+]([O-])=O	323
+C1CC(CCO1)N2C(NCC2)=O	6844
+C1COCCC1NC(=O)c2cc(n(CC3CCCCC3)c2C)-c4cc(C(C)(C)O)c(cc4)-c5n(ncc5)C(C)C	6845
+CC(C)(C)c1c(ccc(c1)-c2n(CC3CCCCC3)c(C)c(C(=O)NC4CCOCC4)c2)O	3955
+C1CC(CCO1)N(CC)C(=O)Cl	2703
+C1CC(CCO1)Nc2c(ccc(c2)-c3c4c(ccc3)C(CCC4)=O)C(N)=O	216
+C1COCCC1Nc2c(CNC(CCC(O)=O)=O)c(nc3c2cnn3CC)CC	4
+C1COCCC1N2C(C3N(CCOC3)c4nc(Cl)ncc24)=O	6846
+C1COCCC1Nc2ccc(cc2N)C(O)=O	0
+C1COCCC1Nc2nc(ncc2N)-c3cnn4ccncc34	193
+CN(C)C(c1c(-c2cc(O)ccc2)nc3n(C(C)C)nc(c3c1NC4CCOCC4)C)=O	211
+C1COCCC1Nc2c3c(nc(CC)c2CNC(=O)CC(=O)O)n(CC)nc3	3
+C1COCCC1Nc2c3cnn(CC)c3nc(CC)c2CNC(c4cccc(C(=O)O)n4)=O	1
+C1CC(CCO1)Nc2c(c(nc3n(CC)ncc23)CC)CNC(c4nc(C(NCc5ccc(c(c5)Br)OC)=O)ccc4)=O	81
+C1CC(CCO1)Nc2c(cnc3c2cnn3CC)C(O)=O	6
+C1CC(CCO1)Nc2cc(ccc2C(=O)O)[N+]([O-])=O	6
+C1COCCC1Nc2cc(NN)ccc2C#N	2092
+C1CC(CCO1)n2c(nc3c2ccc(C(O)=O)c3)C	849
+C1COCCC1Nc2nc(N)ncc2Br	911
+C1CC(CCO1)Nc2c(-c3c(Cl)cncc3)cnc(n2)N	6847
+C1CC(CCO1)OC(C(=O)O)c2cc(Cl)c(Cl)cc2	4
+CC(C)(C)OC(N1Cc2c(nn(C3CCOCC3)c2CC1)Br)=O	1647
+C1CC(CCO1)Oc2ccc(cc2C=O)I	624
+C1CC(CCO1)Oc2cc(ccc2Nc3c4c(sc(C(OC)=O)c4C)ncn3)F	1500
+C1COCCC1Oc2c(N)ccc(F)c2	0
+CC1(C)OB(OC1(C)C)c2cc(C#N)c(OC3CCOCC3)cc2	17
+C1COCCC1Oc2c3c(ccc2)C(c4c(cc(Nc5ccc(F)cc5F)cc4)CC3)=O	1370
+C1COCCC1S(=O)(=O)C(C)(C)C(=O)Nc2onc(C(C)(C)CNC(=O)C)c2	6848
+C1COCCC1S(=O)(=O)C(C)(C)C(=O)Nc2onc(C(C)(C)CN(Cc3ccc(cc3)OC)C(C)=O)c2	58
+C1COCCC1S(=O)(=O)C(C)(C)C(=O)Nc2onc(c2)C(C)(C)CNCc3ccc(cc3)OC	110
+C1COCCC1S(=O)(=O)C(C)(C)C(Nc2onc(C(C)(C)C=O)c2)=O	24
+C1COCCC1Sc2cc3c(Nc4ccc(Cl)c(OC)c4)ccnc3cc2	179
+C1COCCC1S(c2cc3c(nccc3Nc4ccc(Cl)c(OC)c4)cc2)=O	2033
+C1COCCC1S(=O)(=O)c2c(OC)cc3c(c(ccn3)Nc4n[nH]c(c4C)C)c2	593
+C1CC(CCO1)c2c3sc(NC(=O)N4CCOCC4)nc3c(OC)cc2	2704
+C1COC2(O1)CCN(CC2)C(=O)Nc3nc4c(s3)c(C5CCOCC5)ccc4OC	2704
+C1COCCC1c2c3sc(NC(c4cc(ncc4)CCl)=O)nc3c(OC)cc2	900
+C1CC(CCC1)C(c2c(CC)sc(C3CCOCC3)c2)Nc4ccc(cc4)C(=O)OC	6849
+c1cc(ccc1)C(=O)NC(Nc2c(OC)ccc(c2)C3CCOCC3)=S	6850
+c1cc(ccc1)C(=O)NC(Nc2c(OC)ccc(c2)C3CCOCC3)=S	865
+C1COCCC1c2c3sc(N)nc3c(OC)cc2	2705
+c1cc(ccc1C2CCOCC2)O	606
+C1COCCC1c2ccc(cc2)N	0
+C1COCCC1c2nc3c(cc(Oc4cc(Cl)ncn4)cc3[nH]2)Cl	185
+C1COCCC1n2c(ccn2)-c3cc(Br)c(cc3N)C	106
+C1COCCN1Cc2c(F)cc(c(F)c2)Nc3nc(-c4cnc(C)n4C5CCOCC5)c(cn3)F	490
+C1CC(CCO1)n2c(Cl)c([N+]([O-])=O)cn2	2706
+C1COCCN1c2ccc(cc2)C(C(C)(C)N3CCOCC3)=O	34
+C1N(CC1c2nc3cc(Cl)ccc3[nH]2)c4nc(N5CCOCC5)ncc4Cl	117
+CC(C)[Si](C(C)C)(C(C)C)n1ccc(c1)CN2CCOCC2	1015
+FC(F)(F)c1ccnc(NC(Nc2ccc(cc2)-c3c(c(n4c3c(ncn4)N)CN5CCOCC5)CC)=O)c1	6851
+C1CN(CCO1)Cc2cnc3n2c(ccc3)SCCNS(=O)(=O)C	2093
+C1CN(CCO1)Cc2[nH]c3c4c2CC5N(C#N)CC(CC5c4ccc3)C(OC)=O	6852
+C1CN(CCO1)CCC(c2cc(ccc2)-c3cc(ncc3)NC(=O)c4ccccc4)=O	1493
+C1COCCN1Cc2c(nc3n2cc(cc3)Br)-c4ccc(cc4)Cl	2093
+c1ccccc1C(N2CCn3c(ccc3C2)CN4CCOCC4)=O	6853
+CC(C)(C(=O)OC)c1c([N+](=O)[O-])cc(cn1)N2CCOCC2	244
+CC(C)(C)C(Nc1cc(ccc1)C(c2ccc3ncc(N4CCOCC4)nc3c2)=O)=O	1322
+CC(C)(C)OC(N1CC(C(=O)N2CCOCC2)N(C(OCc3ccccc3)=O)CC1)=O	10
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2c3c(c(c[nH]3)CN4CCOCC4)ccc2	565
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(C(N3CCOCC3)=O)cc(Cl)cc2	30
+CC(C)(C)OC(=O)NC1CC(C(=O)N2CCOCC2)C1(C)C	10
+CC(C)(C)OC(=O)NC1CC(CN2CCOCC2)CC1	236
+CC(C)(C)OC(NCc1cc([N+]([O-])=O)cc(C)c1N2CCOCC2)=O	79
+CC(C)(C)OC(=O)Nc1sc(c(-c2ccco2)n1)CN3CCOCC3	2075
+CC(C)(C)OC(=O)c1sc2nc(C)c(c(C)c2c1N)OCCN3CCOCC3	53
+CC(C)(C)OC(C(C)(C)Sc1nc(CCOc2ccc(-c3ccc(cc3)F)cc2C(N4CCOCC4)=O)cs1)=O	30
+CC(C)(C)OC(N(Cc1cn(c(-c2ccccc2)c1)S(=O)(=O)c3cccc(C(=O)N4CCOCC4)c3)C)=O	30
+CC(C)(C)OC(=O)N1CC(NC(OCc2ccccc2)=O)CC(C(N3CCOCC3)=O)C1	10
+CC(C)(C)OC(N1CCCC(C1)Nc2cc(OC)nc(N3CCOCC3)n2)=O	3956
+CC(C)(C)OC(N1C(c2c(N3CCOCC3)nc4cc(ccc4c2)F)CCC1)=O	286
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)Nc3nc(nc(C)c3C(=O)OCC)N4CCOCC4)=O	117
+CC(C)(C)OC(=O)Nc1c(Br)c(OC)c(c(OC)c1)CN2CCOCC2	131
+CC(C)(C)OC(=O)Nc1ccc(cn1)CN2CCOCC2	6854
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(=O)N2CCOCC2)n1	10
+CC(C)(C)c1nn(-c2ccc(cc2)C)c(NC(=O)NCc3cc(F)ccc3Oc4nc(ncc4)N5CCOCC5)c1	117
+C1CN(CCO1)C=2SC(C(=O)N=2)=Cc3cccc(-c4ccc(c(C(C)(C)CC)c4)O)c3	3602
+c1cc(ccc1CN2CCOCC2)C#Cc3ccc(cc3)NC(=O)C(C(=O)OC)C(C)C	48
+C1COCCN1Cc2nnc(-c3cnc(cc3NC(C)C)Cl)o2	960
+CC(C)OCCCn1c(nc2cnc3c(ccc(N4CCOCC4)c3)c12)COCC	1578
+CC(C)c1nc(nc(c1)N2CCOCC2)-c3ccc(cc3)Cl	54
+C1CN(CCO1)C(=O)c2ccc(-c3cnc(c(-c4nnn(c4)C(C)C)c3)N)cc2C	30
+c1cc(ccc1-c2cc(C(NCc3c(nc(C)cc3C)O)=O)c4cnn(C(C)C)c4n2)CN5CCOCC5	131
+CC1(C)C(C)(C)OB(O1)c2cncc(CN3CCOCC3)c2	565
+C1COCCN1C(C)(C)C(=O)c2ccc(cc2)Cl	1860
+C1COCCN1c2nc3oc4c(ncnc4NCc5cnccc5)c3c6CC(C)(C)CCc26	6855
+C1COCCN1C(C)(C)C(=O)c2ccc(cc2)F	1860
+C1(CN(CC(C)O1)c2nc(nc(N3CCOCC3)c2)-n4c(nc5c(OC)cccc45)C(F)F)C	6856
+C1COCCN1Cc2nc(c3N(C=C(C(=O)c3c2)C(OCC)=O)C)Cl	6857
+C1COCCN1CCOc2cc(c(Cl)cc2Cl)-c3nc(N)nc4c3cc(C(NCC)=O)s4	6858
+C1CN(CCO1)Cc2cc(ccc2)-c3cncc4cc(C(OCC)OCC)oc34	48
+C1COCCN1c2cc(c(NC(=O)C)c([N+](=O)[O-])c2)OC	79
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2c(nc(CN3CCOCC3)c1)c(-c4cc5ccccc5nc4)cn2	315
+C1COCCN1C(c2ccc(OCc3c(noc3C)-c4ccncn4)nc2)=O	211
+C1COCCN1c2c(c(nc(Cl)n2)C)[N+](=O)[O-]	54
+C1CN(CCO1)c2c(cc(C(OC)=O)cc2)C	79
+Cc1cc(cc(C)c1OCCCN2CCOCC2)-c3nc4c(o3)nc(Cc5ccc(cc5)Cl)nc4OCCC	28
+c1cc(ccc1OC2CC(C2)N3CCCCC3)-c4sc5CN(CCc5n4)C(=O)N6CCOCC6	6859
+c1cc(ccc1OCCCN2CCCC2C)-c3sc4CN(CCc4n3)C(=O)N5CCOCC5	6860
+C1COCCN1Cc2cc(c(s2)Cl)Br	509
+C1CN(CCO1)C(=O)c2cc(c(cc2C)[N+]([O-])=O)Cl	30
+C1COCCN1C(CCCOc2cc3ncnc(c3cc2OC)Nc4c(F)cc(Cl)cc4)=O	10
+C1CN(CCO1)C(=O)c2c3n(ccc3c(nc2)Nc4cccc(Cl)c4)CC	1369
+C1COCCN1C(=O)c2cnc(c3ncn(c23)C)Nc4cccc(c4)Cl	1369
+C1COCCN1c2ccnc(Nc3sc(-c4cc(Br)cnc4)cn3)c2	264
+C1COCCN1c2ccc(c([N+](=O)[O-])c2)C#N	202
+C1CN(CCO1)c2cccc(N)n2	43
+C1CN(CCO1)c2nc(nc3c2nc(COC(C)=O)cc3)Cl	3940
+C1CN(CCO1)c2c3c(n(cn3)CC)nc(Cl)n2	1310
+C1CN(CCO1)c2cc(ccn2)[N+](=O)[O-]	43
+FC(F)(F)Oc1ccc([N+](=O)[O-])cc1NC(CN2CCOCC2)=O	224
+FC(F)(F)Oc1ccc(cc1NC(CN2CCOCC2)=O)C(=O)Nc3ccc(-c4ccccc4F)nc3	224
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2c(N3CCOCC3)cc(c([N+]([O-])=O)c2)NCC(C)(C)O	202
+FC(F)(F)Oc1ccc(cc1)Nc2nc(Cl)nc(N3CCOCC3)n2	436
+C1CN(CCO1)CCn2nc(C)c(c2C)CC(=O)NCc3c(cc(F)cc3)Cl	1645
+FC(F)(F)c1c(ccc(N2CCOCC2)c1)C=O	34
+FC(F)(F)c1c(ccc(C#N)c1)Oc2ccc(C=C3SC(N4CCOCC4)=NC3=O)cc2OC	6861
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)Nc2c(nccn2)C(=O)N3CCOCC3)Cl	777
+FC(F)(F)c1c(ccc(N2CCOCC2)c1)[N+]([O-])=O	34
+FC(F)(F)c1cc(cnc1N2CCOCC2)Br	43
+FC(F)(F)c1cc2ncc(c(OCCCCCOC=3C(=O)C=C(CN4CCOCC4)OC=3)c2cc1)C(=O)OCC	2662
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(cc3)OCC(N4CCOCC4)=O)C	10
+FC(F)(F)c1cccc(c1C)Cc2c3n(nc2C)c(N)cc(N4CCOCC4)n3	790
+FC(F)(F)c1cccc2c1nccc2OCCCCCOC=3C(=O)C=C(CN4CCOCC4)OC=3	2662
+FC(F)(F)c1cnc(cc1)Nc2nccc(C(=O)Nc3cncc(c3)N4CCOCC4)c2	244
+C1CN(CCO1)C(CC(c2cc(c(cc2)OC(F)F)OCC)N3C(c4c(C3)cccc4NC(=O)C)=O)=O	10
+FC(F)c1nc2ccccc2n1-c3cc(N4CCOCC4)nc(SC)n3	54
+C1COCCN1c2ccc(c([N+](=O)[O-])c2)C#N	6862
+C1CN(CCO1)c2ncc(c(c2)N)Br	43
+C1CN(CCO1)C(c2cc(c(cc2F)N)OC)=O	30
+C1CN(CCO1)CCCc2cc(c3n2ncnc3N)Br	28
+C1CN(CCO1)CCc2nnc(s2)N	53
+C1COCCN1CC(CCl)O	170
+C1COC2(O1)CCC(CC2)N3CCOCC3	85
+O1CCOC12CCN(CC2)c3ccc(cc3)CN4CCOCC4	48
+C1COCCN1C(=O)C(=O)OCC	3957
+C1COCCN1c2c(cc(cc2)[N+](=O)[O-])C=O	202
+C1CN(CCO1)Cc2ccc(O)cc2OC	48
+C1COCCN1Cc2cc(c(Nc3ccc(nc3)OC)nc2)-c4nc(SC)nc(n4)C	565
+C1COCCN1Cc2c(F)cc(Br)c(c2)F	48
+C1COCCN1CCCCc2ccc3ncn(-c4sc(C(=O)OCC)c(n4)-c5cccc(Cl)c5)c3c2	123
+C1CN(CCO1)CC2Oc3c(ccc(S(=O)(=O)C)c3)CC2	236
+C1CN(CCO1)c2cc(S(=O)(=O)CC)c(c(c2)C)C#N	202
+O=S(=O)(Cc1nc(nc(N2CCOCC2)c1)Cl)C	54
+C1COCCN1S(=O)(=O)c2cc(c(OCCC)cc2)-c3nc4c(c(O)n3)c(nn4CCC)C	92
+C1COCCN1S(=O)(=O)c2cc3c(cc2)CCN(CC3)C(C)=O	92
+C1CN(CCO1)C2CCN(CC2)S(=O)(=O)Nc3cc(OC)nc(n3)SCc4c(c(F)ccc4)F	85
+C1COCCN1CCc2sc3c(c2)c(N)nc(-c4cccc(C#N)c4)n3	123
+C1COCCN1S(=O)(=O)c2cc(ccc2OC)F	92
+O=S(=O)(c1cc(ccc1)Cl)Nc2cc(nc3sc(C#CCN4CCOCC4)c(c23)-c5cc(ccc5)OC)C	6863
+C1CN(CCO1)S(=O)(=O)c2cccc([N+](=O)[O-])c2	92
+C1COCCN1c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-]	34
+c1cc(ccc1Br)S(=O)(=O)N2CCOCC2	92
+C1CN(CCO1)Cc2cccc(S(=O)(=O)c3ccc(nc3)C=Cc4ccc(cc4F)F)c2	48
+C1CN(CCO1)S(=O)(=O)c2cc(C(O)=O)ccc2	92
+C1COCCN1CCC(O)C	53
+C1COCCN1C(=O)C[N+]#[C-]	2642
+C1COCCN1c2ncnc3[nH]cc(c23)-c4cccc(c4)C#N	778
+C1CN(CCO1)c2nc(Cl)nc3[nH]ccc23	778
+C1CN(CCO1)c2c(c(nc(n2)-c3cccc(O)c3)NC4COCC4)C	54
+C1CN(CCO1)c2ccc([N+](=O)[O-])cc2C	34
+C1COCCN1c2nc(N3CCC(F)C3)c(c(C)c2)[N+]([O-])=O	43
+C1CN(CCO1)C(=O)c2c3c(c(Cl)nc2)ccn3C	1369
+C1CN(CCO1)c2c(Cl)nnc(Cl)c2	2558
+C1COCCN1c2cc(Cl)nc(-c3cccc(OC)c3)n2	54
+C1COCCN1c2nc(Cl)nc(N(C)c3ccccc3)n2	436
+C1CN(CCO1)c2nccnc2N	317
+C1COCCN1c2c3c(cc(Br)c(c3)F)nc(Cl)n2	54
+C1CN(CCO1)c2cc(F)c(c(F)c2)[N+](=O)[O-]	34
+C1COCCN1c2c(F)cc3c(c2)ncnc3O	2074
+C1COCCN1c2c(C)cc(C)c(N)c2C	79
+C1COCCN1CC(=O)c2ccc(OCCC)c(c2)-c3nc(c4n(C)nc(c4n3)CCC)O	676
+C1COCCN1c2c(cc(cc2)[N+]([O-])=O)Br	34
+C1COCCN1CC(Nc2cc([N+](=O)[O-])ccc2Br)=O	224
+C1CN(CCO1)C(C=Cc2ccc(OCCC)c(-c3nc(c4c(n3)n(nc4C)CCC)O)c2)=O	404
+C1COCCN1c2cc3c(c(c2)[N+]([O-])=O)nc(C)n3Cc4cccc5ccccc45	1578
+C1COCCN1c2c3CCN(c4ncnc5cc(c(OC)cc45)OC)c3ccc2	79
+C1COCCN1c2ccc3c(O)nnnc3c2	2074
+C1COCCN1C(c2ccc(c(F)c2)Br)=O	30
+C1CN(CCO1)c2c(cc(cc2)C=O)[N+](=O)[O-]	34
+C1CN(CCO1)CCCCOCc2cc(Br)ccc2F	28
+C1CN(CCO1)c2ccc(c(C(NC)=O)c2)[N+]([O-])=O	34
+C1COCCN1c2cc(O)c([N+]([O-])=O)cc2	34
+c1cnccc1-c2nc3c(cc(nn3c2)Cl)N4CCOCC4	6864
+C1COCCN1c2nc(Cl)nc3CCCc23	54
+C1COCCN1c2cc(Cl)nc3c2cc(OC)cc3	264
+C1COCCN1c2cnc3cc(F)c(CC(OC)=O)c(F)c3c2	244
+c12c(cccc1)CN(C2)C(=O)Nc3ccc(cc3)-c4noc(n4)CN5CCOCC5	960
+C1COCCN1c2c3c4ccncc4[nH]c3ncn2	778
+C1COCCN1c2cc3c(C(CC3)=O)cc2OC	79
+C1CN(CCO1)c2nc(nc3c(cc(Br)cc23)OC)Cl	54
+C1COCCN1c2ccc3c(ccc([N+](=O)[O-])c3)n2	286
+C1COCCN1c2nc(nc3c2scc3)Cl	2094
+C1CN(CCO1)c2cc(C=C)ccc2F	79
+C1CN(CCO1)c2cc(cc(Cl)n2)Cl	43
+C1COCCN1c2nc(Cl)cc(N)c2	43
+C1CN(CCO1)C(=O)Cc2cc(ccc2[N+](=O)[O-])C	10
+C1CN(CCO1)c2nc(nc3cc(Br)ccc23)Cl	54
+C1CN(CCO1)CCCN2C(=O)CCN(CC2)C(C=Cc3ccc(c(c3)Cl)Cl)=O	183
+C1COCCN1Cc2cc3c(cc2)n(c(CN(C(=O)c4c(ccc(F)c4)F)CCC)n3)CCC	171
+C1CN(CCO1)c2c(ncc(Br)n2)N	2089
+C1COCCN1c2nc(nc(C(=O)OC)c2)Cl	54
+C1CN(CCO1)C(=O)Cc2cn(CC)c3c2c(O)cc(F)c3	10
+C1CN(CCO1)CCCOc2cc(C)ccc2OC	28
+C1COCCN1C(=O)Nc2nccc(c2)Oc3c(F)cc([N+]([O-])=O)cc3	3856
+C1COCCN1c2cc(ncc2)-c3nn(c(-c4ncoc4)n3)Cc5c(cccc5)F	1465
+c1ccccc1-c2c(ccc(CC3=C(C)C(=O)C(=C(OC)C3=O)OC)c2)C(N4CCOCC4)=O	30
+C1CN(CCO1)Cc2c(nc3ccccc3c2C(=O)NN(c4ccccc4)C(OC)=O)-c5ccccc5	619
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(N5CCOCC5)c6c(nc(cc46)Cl)C	6865
+c1ccccc1COC(=O)N2Cc3ccccc3CC2C(=O)N4CCOCC4	10
+c1cc(ccc1)COC(=O)N2CCc3nc4ccnn4c(N5CCOCC5)c3CC2	1575
+c1cc(ccc1)COc2c(CC=3C(=O)C(OC)=C(OC)C(=O)C=3C)cccc2C(N4CCOCC4)=O	30
+c1cc(ccc1)Oc2cc(ncc2C(=O)OCC)N3CCOCC3	43
+C1CN(CCO1)C(=O)c2ccc(cc2)-c3[nH]c4ncc(c(c4n3)I)Cl	30
+C1CN(CCO1)C(=O)c2[nH]cc(C)c2-c3ccc(cc3)Cl	147
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCCl	115
+c1cc(ccc1[N+](=O)[O-])-c2ncc(OC)c(N3CCOCC3)n2	54
+c1cc(ccc1N2CCOCC2)C#N	34
+C1COCCN1CC(c2ccc(cc2)-c3ccccc3)=O	676
+C1CN(CCO1)Cc2ccc(cc2)C(=O)Nc3ccc(cc3)OC(=O)N(C)c4ccccc4	171
+C1COCCN1C(c2ccc(cc2)[N+]([O-])=O)C	2030
+c1cc(ccc1C(=O)N2CCOCC2)-c3nn4c(cc3)ncc4C#C	30
+C1CN(CCO1)Cc2ccc(cc2)-c3cc(ccn3)-c4n5c(nc4-c6nc(C)ccc6)ccc(c5)Cl	48
+C1CN(CCO1)c2cc(c(c(OC)c2)C(NCc3ccc(cc3)Cl)=O)F	79
+C1COCCN1c2cc3c(nc2NCc4ccc(cc4)OC)ccc(Br)c3	2064
+C1COCCN1Cc2ccc(cc2)CCC#Cc3ncc(Br)cc3	889
+c1cc(ccc1COc2c(cc(CN3CCOCC3)cc2)C(=O)Nc4cccnc4)F	48
+c1cc(ccc1C(OC)=O)Cc2ccc(cc2)CN3CCOCC3	889
+C1CN(CCO1)c2cc3c(C(=O)N(C)CC3c4ccc(cc4)Cl)s2	1801
+C1COCCN1Cc2cc(I)c3c(c2)C(=O)C(C(=O)NCc4ccc(cc4)Cl)=CN3C	171
+C1CN(CCO1)CCCNc2cc(ccc2)C(=O)c3c(N)n(-c4ccc(cc4)F)nc3	53
+c1cc(ccc1F)NC(=O)Nc2ccc(cc2)Oc3ncnc4[nH]c(cc34)CN5CCOCC5	315
+C1CN(CCO1)C(=O)c2ccc(cc2)Nc3c4n(ccn4)cc(Br)n3	30
+c1cc(ccc1Nc2sc(C(=O)c3cc([N+](=O)[O-])c(cc3)N4CCOCC4)c(N)n2)N5CCN(CC5)C	202
+C1CN(CCO1)C(=O)OCc2cnc(C)cc2	1011
+c1cc(ccc1OC)-c2ccc(CC3=C(C)C(C(=C(C3=O)OC)OC)=O)cc2C(N4CCOCC4)=O	30
+c1cc(ccc1OC)-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3nc2-c5ccc(cc5)OC	2691
+C1COCCN1CCc2nc(C(C)Nc3ncnc4c3ncn4Cc5ccc(cc5)OC)cc6cccc(Cl)c26	6866
+c1cc(ccc1OCCCCl)-c2nc(C(N3CCOCC3)=O)co2	6867
+C1CN(CCO1)C(CO)c2cc(NS(=O)(=O)c3ccc(cc3)-c4ccc(F)cc4F)ccc2	3959
+c1cc(ccc1S(=O)(=O)Nc2ccsc2C(OC)=O)N3CCOCC3	79
+c1cc(ccc1S(=O)(=O)n2c(cc3c2nccc3)-c4c5c(n(c4)CCN6CCOCC6)cc(c(OC)n5)OC)C	183
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCN6CCOCC6)c(cc45)OC)C)C	183
+c1cc(ccc1S(=O)(=O)n2ncc3c(cc(cc23)Br)-c4nnc(CN5CCOCC5)o4)C	960
+c1cnccc1-c2cc(nnc2-c3cc4c(cccc4)cc3)N5CCOCC5	6868
+C1COCCN1C(=O)c2ccc(nc2)Cl	1558
+C1CN(CCO1)c2nnc(O)c3ccccc23	212
+C1CN(CCO1)c2ccc3c(c(O)ccc3)n2	286
+C1CN(CCO1)CCCCCCCCc2c3C(NC(c3ccc2)=O)=O	28
+C1CN(CCO1)c2ccccc2OC	560
+c1cc(ccc1)-c2[nH]c3c([N+]([O-])=O)cc(cc3c2CN4CCOCC4)Cl	565
+C1COCCN1c2n3nc(cc3nc(Cl)c2)-c4ccccc4	1575
+c1ccccc1C(CN2CCOCC2)C(=O)OCC	6869
+c1cc(ccc1)C2(c3ccccc3)C(CCN4CCOCC4)CN(C2=O)CC	53
+c1ccccc1COC(NC2c3cc(ccc3N(C(C4CC4)C2C)C(=O)C)N5CCOCC5)=O	79
+C1COCCN1c2ccc(cn2)-c3cn(c4c3ccc(F)c4)S(=O)(=O)c5ccccc5	43
+C1CN(CCO1)CCCn2ccc3c(cccc23)[N+](=O)[O-]	28
+C1COCCN1C(=O)c2cnc(c3c2n(cn3)C)Cl	1369
+C1COCCN1c2cnc(nc2)NC3CC(CC)N(C(=O)OCC)c4ccc(OC)nc34	3937
+C1COCCN1c2nc(nc(Nc3cn(CC#N)cn3)n2)NC(C)c4ncc(cn4)F	436
+C1CN(CCO1)CCCOc2cc3cc4ncc(c(Nc5c(cc(c(c5)OC)Cl)Cl)c4cc3cc2OC)C#N	53
+C1CN(CCO1)C(=O)c2c3c(cc(-c4cccnc4-c5cc(C)c(cc5)F)c2)c[nH]n3	211
+CN(C)c1nc(nc(N2CCOCC2)n1)Cl	436
+C1CN(CCO1)CCCCn2cnc3nc(NCc4ccc(c(Cl)c4)Cl)nc(O)c23	28
+C1CN(CCO1)c2c(F)c(nc(Cl)n2)Nc3[nH]nc(c3)C	54
+C1CN(CCO1)c2cncc(N)c2	244
+C1CN(CCO1)Cc2ccn(-c3c(C(=O)OCC)cccn3)n2	315
+C1COCCN1Cc2cc3c(C(Br)=CN(C)C3=O)o2	2693
+CC(C)(C)c1cc(ccc1O)CC(N(C(C(C(C)C)N(C)C(OCc2ccccc2)=O)=O)C)C(N)=O	6870
+CC(C)(C)c1nc(ncc1C(=O)OCC)N2CCOCC2	6871
+C1CN(CCO1)C(C(NN)=O)=O	6872
+C1COCCN1C(=O)COC2CCN(CC2)C(=O)c3c(ccc(c3)Cc4c5c(c(O)nn4)cccc5)F	1997
+C1CN(CCO1)C(=O)C2N=COC2c3cccnc3	6873
+C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O	9
+C1COCCN1C(=O)NC2(CCCCC2)C(=O)O	210
+C1COCCN1C(=O)Nc2nccc(c2)Oc3ccc(N)cc3F	0
+C1COCCN1C(=O)Nc2nccc(c2)Oc3c(cc(NC(=S)NC(=O)Cc4ccccc4)cc3)F	2095
+C1CN(CCO1)C(c2c(c3cc(O)c(c([N+](=O)[O-])c3s2)O)CBr)=O	6874
+C1COCCN1C(=O)c2cc(Cl)ccc2CN3CCN(CC3)C(=O)ON4C(CCC4=O)=O	613
+C[Si](C)(C)CCOCn1nc(-c2ccccc2OC)c3c1ncc(-c4ccc(O)c(C(N5CCOCC5)=O)c4)c3	391
+C1COCCN1C(=O)c2cnc(NN)cc2	383
+CC1(C)OB(OC1(C)C)C=2C=C(Nc3ccc(C(=O)N4CCOCC4)cn3)C(=O)N(C)C=2	1371
+C1COCCN1C(c2n3c(c(c2C)C(=O)O)cccn3)=O	6
+C1COCCN1C(C)(C)C(=O)c2ccc(cc2)S	3960
+C1COCCN1C(C)(C)C(=O)c2ccc(cc2)SCCS	411
+C1CN(CCO1)C(C)C(O)=O	210
+c1ccccc1-c2ccc(cc2)NC(c3ccc(OC)c(c3)NC(C(CC)N4CCOCC4)=O)=O	33
+CC(C)(C)OC(=O)N1CCC(CC1)OCC(N2CCOCC2)=O	467
+C1CN(CCO1)Cc2cc(c(Br)cc2)F	162
+C1COCCN1C(c2cnc(cc2)Nc3cc(cc4cccnc34)Cl)=O	6875
+C1COCCN1C(=O)c2n3ncccc3c(C(NCc4c(cc(nc4O)C)C)=O)c2C	56
+CC(C)(C)OC(Nc1cc2c(cc1)Sc3c(C=4OC(=CC(C=4)=O)N5CCOCC5)cccc3S2)=O	6876
+c1(F)cc(cc(F)c1)N2CCCC2c3cc(cc4C(C=C(Oc34)N5CCOCC5)=O)C(OC)=O	79
+C1COCCN1C=2N=C(N(C(=O)C=2)C)CC(N3c4cccc(F)c4CC3C)=O	429
+C1COCCN1C=2OC(c3cccc4Sc5c(ccc(c5)O)Sc34)=CC(C=2)=O	477
+C1COCCN1CC#Cc2cc(cc(OCC(C)C)c2)Sc3c(cc(c(C)c3)OCC(=O)OCC)C	197
+FC(F)(F)c1cc(Oc2cc(cc(c2)Sc3cc(C)c(cc3)OCC(OCC)=O)C#CCN4CCOCC4)ccc1	197
+FC(F)(F)c1ccc(Oc2cc(Sc3ccc(OCC(=O)OCC)c(C)c3)cc(C#CCN4CCOCC4)c2)nc1	197
+C1COCCN1CC#Cc2n(C)c(c(-c3ccncc3)c2-c4ccc(cc4)F)C(=O)OC	6877
+C1COCCN1CC#Cc2cc(cc(OCC(C)C)c2)Sc3cc(C)c(cc3C)OCC(O)=O	3
+c1cc(ccc1C(Nc2ccc(c(c2)NC(=O)CN3CCOCC3)Br)=O)-c4ccccc4	67
+C1CN(CCO1)CC(C)(C)NC(=O)Cn2nc(-c3cn(nn3)Cc4ccc(cc4)OC)cc2Cc5ccc(cc5)F	9
+C1COCCN1CC(O)CN	2707
+C1COCCN1CC(O)CN2C(=O)c3c(CC2)[nH]c(C=O)c3C	413
+c1ccccc1C(CCl)CN2CCOCC2	221
+C1COCCN1CC(=O)Nc2c(Br)ccc(N)c2	0
+C1COCCN1CC(=O)Nc2cc(ccc2SC)C(Nc3ccc(-c4ccccc4F)nc3)=O	33
+c1cc(ccc1CC(NC(C(NC(=O)CN2CCOCC2)CC#N)=O)C(=O)NC(CC=3CCCC=3)C(=O)C4(CO4)C)OC	207
+C1CN(CCO1)CC(CN2CCc3c(c(C)c([nH]3)C=C4c5c(cccc5NC4=O)-c6c(c(ccc6)F)F)C2=O)O	292
+c1cc(ccc1-c2ccccc2)C(CN3CCOCC3)NC	1607
+C1CN(CCO1)CC2COc3cccc4c(C(c5ccc(cc5)OC)=O)c(n2c34)CC	6878
+C1COCCN1CC2COc3c(cccc3)N2N	1651
+C1COCCN1CC2COc3c(cccc3)N2N=O	2708
+C1COCCN1CC2Cc3ccccc3CN2	62
+c1cc(ccc1[N+]([O-])=O)OC(C)CCN2CCOCC2	57
+C1COCCN1CCCCc2ccc3ncn(-c4sc(c(-c5cc(ccc5)Cl)n4)C(N)=O)c3c2	1169
+C1COCCN1CCCCc2ccc3ncn(-c4nc(c(C(=O)O)s4)-c5cc(ccc5)Cl)c3c2	6
+C1COCCN1CCCN2C=3c4cc5OCOc5cc4C(C=3c6c(cc(c(OCCCN)c6)OC)C2=O)=O	18
+C1COCCN1CCCN2C=3c4cc5OCOc5cc4C(C=3c6c(cc(OC)c(OCCCN=[N+]=[N-])c6)C2=O)=O	310
+C1COCCN1CCCc2cccc(CCl)n2	3961
+CC(C)(C)[Si](C)(C)OCCCN1C(N(C)c2nc(n(Cc3ccc(cc3)Cl)c2C1=O)OCCN4CCOCC4)=O	6879
+C1CN(CCO1)CCOC(N2CC(OCCF)C(n3c4c(nc(-c5ccc(C(C)C)nc5OC)c(C)c4)c(C)c3)C2)=O	1468
+C1CN(CCO1)CCOc2cc(ncc2)Cl	1895
+C1CN(CCO1)CCOc2cc(cc(-c3cc(nc(n3)-n4c(cc(n4)C)C)NC(C)=O)c2)F	126
+C1CN(CCO1)CCOc2ccc([N+]([O-])=O)cc2-c3n(C)ncc3	126
+C1CN(CCO1)CCOc2cc3c(ncc(c3Cl)C#N)cc2F	126
+c1cc(ccc1Br)OCCN2CCOCC2	20
+c1(nc(nc(C)c1C(=O)NC(CNC(c2cccs2)=O)C(OCCN3CCOCC3)=O)NCCCc4cc(O)ccc4)C	456
+C1COCCN1CCOc2cccc(c2)-c3sc4c(nccc4Oc5ccc([N+]([O-])=O)cc5F)c3	20
+CC(C)(C)OC(CCOCCOCCOCCN1CCOCC1)=O	1615
+c1cc(ccc1Cl)-c2nc3n(c2CN4CCOCC4)cc(cc3)-c5ccccc5F	89
+C1COCCN1Cc2sc(Cl)c(C(=O)CC(=O)OC)c2	3963
+C1COCCN1Cc2cc(c(Nc3ccc(nc3)OC)nc2)-c4nc(nc(N)n4)C	6880
+C1CC(CCO1)COc2nccc(C3=CN(C(=O)c4cc(oc34)CN5CCOCC5)C)c2	2710
+C1COCCN1Cc2ccc(cc2)CCC#Cc3ccc(-c4ccc(cc4)Cl)cn3	2056
+C1CN(CCO1)Cc2cc3c(cn2)N(C=C(C(OCC)=O)C3=O)C	1372
+CC(C)(C)c1ccc(cc1)Nc2c3c(nc(n2)CN4CCOCC4)CN(CC3)Cc5ccccc5	73
+CC(C)Nc1cc(ncc1-c2nnc(CN3CCOCC3)o2)Nc4ccc(cc4)C#N	201
+C1CN(CCO1)NC(c2ccc(OCc3c(onc3-c4ccc(cn4)F)C)cn2)=O	2096
+C1COCCN1NC(=O)c2cc(n(Cc3cc(Cl)cc4cc(oc34)-c5ccc(cc5)Cl)n2)C	2096
+O=S(=O)(Nc1cc(cnc1Cl)Nc2ncccc2-c3nc(C)nc(N)n3)N4CCOCC4	2097
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1S(=O)(=O)N2CCOCC2)F	166
+C1COCCN1S(=O)(=O)c2cc(F)ccc2O	5
+CN(C)C=NC(=O)c1sc(c(C#N)c1-c2ccc(cc2Cl)Cl)N3CCOCC3	2098
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2c(C(Nc3c(C)c(N4CCOCC4)c(C)cc3C)=O)scc2	6881
+C1COCCN1c2c(C)cc(cc2)Nc3c4c(ccc(c4)-c5cccs5)ncn3	1373
+C1COCCN1c2cc3ncnc(Cl)c3cc2F	64
+C1CN(CCO1)c2cc(cc(c2F)C=O)CC	151
+CC(C)Oc1c(cc(cn1)-c2c(C)ncc(N)c2)N3CCOCC3	907
+FC(F)(F)c1cccc(C(=O)Nc2ccc(c(-c3cc(c(nc3)OCCOC4OCCCC4)N5CCOCC5)c2)C)c1	67
+C1CN(CCO1)c2sc(C(O)=O)c(-c3ccc(cc3Cl)Cl)c2C#N	6
+C1COCCN1c2sc(c(C(CC=O)c3cc(c(cc3)Cl)Cl)c2C#N)C(=O)OCC	465
+c1ccccc1COc2cc(-c3nc(c([N+](=O)[O-])c(C)n3)N4CCOCC4)ccc2	345
+C1COCCN1c2c(C)cc(Nc3ncnc4c3cc(cc4)I)cc2	73
+C1CN(CCO1)c2c(CNC)cc([N+](=O)[O-])cc2	42
+CC(C)(C)OC(Nc1cccc(C#Cc2cc(ccc2N3CCOCC3)[N+]([O-])=O)c1)=O	455
+O=S(=O)(C)c1cccc(-c2cc3c(cc2F)c(N4CCOCC4)nc(Cl)n3)c1	495
+C1CN(CCO1)c2nc(-c3ccc(N)nc3)nc4cc(sc24)CN5CCC(CC5)C(=O)NC	1323
+C1CN(CCC1)C2CCN(CC2)Cc3sc4c(c3)nc(-c5cnc(nc5)N)nc4N6CCOCC6	2685
+C1COCCN1c2c3sc(CN4CCN(CC4)C)cc3nc(-c5cccc6[nH]ccc56)n2	6882
+C1CN(CCO1)c2c3nc(CN4CC(C4)N5CC(NCC5)=O)sc3nc(n2)Cl	3965
+ClC(Cl)(Cl)COC(Nc1ncc(cc1)-c2nc(c3ccc(-c4cccc(c4)S(=O)(=O)C)cc3n2)N5CCOCC5)=O	278
+C1COCCN1c2nc(nc3c4c(ccc23)n(cc4)CCN(C)C)Cl	1277
+C1COCCN1c2ncc(n3cc(nc23)C=Cc4nc5ccccc5cc4)Br	3966
+C1COCCN1c2ncc(n3cc(nc23)C(NN)=O)Br	2100
+C1COCCN1c2ccnn3c2nc(CO)c3	874
+C1CN(CCO1)c2c3nc(cn3ncc2)C=Cc4nc5ccccc5cc4	3966
+C1COCCN1c2c3n(ccn2)cc(COc4ncc5c(cccc5)n4)n3	6883
+C1COCCN1c2cc(-c3c4c(ccc3)Sc5cc(NC(=O)CN(C)C)ccc5S4)nc(O)c2	224
+C1CN(CCO1)c2cc(N)c(N)c(C(=O)OC)c2	0
+C1COCCN1c2cc(C(OC)=O)c3nc([nH]c3c2)C	6884
+C1CN(CCO1)c2cc3n(c(nc3c(c2)C(OC)=O)C)Cc4cccc5c4cccc5	505
+C1COCCN1c2nc(c(N)c(Cl)c2)OC	13
+C1COCCN1c2nc(nc(c2)Cl)-c3cccc(c3)O	5
+FC(F)(F)Oc1ccc(cc1)CC(=O)N2CCC(Nc3nc4ccc(cc4c(c3)N5CCOCC5)OC)C2	554
+C1CN(CCO1)c2ncc(-c3cc(F)c(nc3)OC)c(Nc4c(C)c(-c5ccccn5)nc6cc(F)cc(F)c46)c2	2711
+C1COCCN1c2cc(nc(-c3ccccc3Oc4ccc(cc4C(O)=O)Br)c2)OCc5ccc(cc5)OC	1182
+C1COCCN1c2ccc(N)c(c2)[N+](=O)[O-]	106
+C1COCCN1c2cc3nc([nH]c3c(c2)OC)C	2712
+C1COCCN1c2ccc([N+](=O)[O-])c(OCCC#N)c2	830
+C1CN(CCO1)c2cc(c(cn2)-c3cc(c(OC(F)F)cc3)F)Nc4c(C)c(-c5ccccn5)nc6cc(F)cc(F)c46	179
+C1COCCN1c2ncc(-c3cnc(cc3)N)c(c2)Nc4c(C)c(nc5cc(F)cc(c45)F)-c6ccccn6	1168
+O=S(=O)(Nc1c2c(cc(c1)N3CCOCC3)n(c(C)n2)Cc4c5c(ccc4)cccc5)C	1374
+C1CN(CCO1)c2cc(cc(N3CCOCC3)c2)Nc4nccc(N(C)c5cccc(Cl)n5)n4	55
+C1CN(CCO1)c2cccc(N3CC(=O)N(CC(O)CN4Cc5c(cccc5)CC4)CC3)c2	6885
+C1COCCN1c2cc(OCc3ccc(cc3)OC)nc(-c4ccccc4Oc5ccc(Br)cc5C=O)c2	46
+C1CN(CCO1)c2cc(CNCCOC)nc(n2)-c3cccc4[nH]ccc34	3967
+C1COCCN1c2c3n(ncc2)cc(C(OCC)=O)n3	1288
+FC(F)(F)c1c(C=C2Cc3c(cc(c(N4CCOCC4)c3)OC)C2=O)cc(Cl)cc1	1103
+FC(F)(F)c1c(c(Cn2c(nc3c2cc(N4CCOCC4)cc3C(OC)=O)C(F)F)ccc1)C	505
+C1COCCN1c2cc(c3nc(C)n(c3c2)Cc4c5c(ccc4)cccc5)N	13
+C1CN(CCO1)c2cc3n(Cc4cccc(C)c4F)c(C)nc3c(c2)C(=O)O	1
+C1CN(CCO1)c2cc(c3nc(C)n(Cc4cccc5c4cccc5)c3c2)C(=O)NS(=O)(=O)C	3968
+CC1(C)C(C)(C)OB(O1)c2ccc3nc(c(cc3c2)N4CCOCC4)NCc5ccc(cc5)OC	17
+C1CN(CCO1)c2c(cc(cc2)C=Cc3c4c(cccc4)[nH]n3)N	0
+C1CN(CCO1)c2ccc(c3nc(N)sc23)OC	2705
+C1COCCN1c2c3sc(-c4nc5c(n4C)cccc5)nc3c(cc2)OC	1652
+C1COCCN1c2c(cc(S(=O)(=O)NC)cc2)N	0
+C1CN(CCO1)c2cc(CO)c([N+](=O)[O-])cc2	41
+C1CN(CCO1)c2ccc(c(c2)NC(c3[nH]c4c(cccc4)n3)=S)OC	6886
+C1CN(CCO1)c2cc(N)c(C#N)cc2	0
+CC(C)(C)OC(=O)N1CC(CC(C1)O)CNc2c3c(nccn3)cc(-c4ccc(cc4)N5CCOCC5)n2	1165
+FC(F)(F)Oc1ccc(-c2ccc(cc2)N3CCOCC3)cc1C(=O)NC(Cc4c[nH]c5c4cccc5)CC#N	11
+c1cc(ccc1N2CCOCC2)-c3c(nc(C)s3)C4CCC(CC4C(=O)OC)F	2713
+c1cc(ccc1N2CCOCC2)-c3c(N)c(C(=O)OC)cc(n3)Br	119
+c1cc(ccc1-c2cccc3cc(sc23)C(=O)OC)N4CCOCC4	6887
+c1cc(ccc1-c2nc(N3CC4C(NCC4)C3)c5nccnc5c2)N6CCOCC6	1165
+C1COCCN1c2ccc(cc2)CNC(=O)Nc3cccc4cnccc34	282
+C1COCCN1c2cc([N+](=O)[O-])c(NC(C)=O)cc2	77
+C1COCCN1c2ccc3c(c2)c(c(cn3)C(OCC)=O)O	1861
+C1COCCN1c2ccc(cc2)Nc3nc(c4ccnc(c4n3)-c5cc(ccc5)[N+]([O-])=O)Cl	64
+C1COCCN1c2nc3ccc(c(c3cc2)Br)NC(OCc4ccccc4)=O	90
+C1CN(CCO1)c2cc3c(C(C)(C)CN3)cc2	621
+C1CN(CCO1)c2ccc3c(c(c(C(=O)OCC)cn3)Cl)c2	120
+C1COCCN1c2ccc3c(ccc(N)c3-c4c(cccc4)C)n2	890
+C1COCCN1c2nc3ccc(cc3cc2)N	0
+C1CN(CCO1)c2ccc3c(NC(=O)C4CCCC34)c2	6888
+C1CN(CCO1)c2ccnc(Nc3sc(cn3)-c4cncc(-c5cnn(c5)C)c4)c2	1029
+C1COCCN1c2c3n(ncc2)cc(C=O)n3	614
+CC1(C)CN(c2c(C)c(-c3ccccc3)nc4c2cccn4)c5c1ncc(N6CCOCC6)c5	3969
+CC1(C)CN(c2c1ncc(N3CCOCC3)c2)c4c5cccnc5nc(c4C)-c6cc(F)cnc6	3969
+C1COCCN1c2cc3c(c(Cc4n5nc(Cl)ccc5nn4)c(cc3nc2)F)F	2102
+FC(F)(F)c1cccc(C(=O)Nc2cc(c(c(c2F)C(=O)c3cc4c(cc3)ncc(N5CCOCC5)n4)F)F)c1	50
+C1COCCN1c2cnc3c(cc(cc3)Sc4nnc5ccc(cn45)C(C)=O)c2	6889
+C1COCCN1c2cnc3c(cc(cc3)Sc4n5cc(ccc5nn4)C(C)=NO)c2	1375
+C1COCCN1c2cnc3c(c2)c(F)c(CC(=O)NN)c(F)c3	561
+C1COCCN1c2nc3c(ccc(C(c4cccc(NC(=O)Nc5cccc(F)c5)c4)=O)c3)nc2	124
+C1CN(CCO1)c2n3nc(-c4ccccc4)cc3nc(c2)NN	6890
+C1COCCN1c2cc(-c3cc(F)cc4c3cc[nH]4)nc(n2)-c5ccccc5	6891
+C1COCCN1c2scc(COc3ccc(C=O)cc3OC)n2	2088
+c1ccccc1CCS(=O)(=O)Nc2c(Oc3cccc(c3)OC)c(Cl)nc(n2)N4CCOCC4	570
+c1cc(ccc1)CNCc2nc(nc(N3CCOCC3)c2)Cl	294
+c1cc(ccc1)N(c2nc(N3CCOCC3)nc(-n4cncc4)n2)C	3970
+C1CN(CCO1)c2nc(nc3cc(NC(=O)C)sc23)Cl	2414
+C1N(CC1N(C)C(C)(C)C(=O)N)Cc2n(CC)c3c(c(N4CCOCC4)nc(Cl)n3)n2	566
+CN(C)C1CCN(CC1)Cc2n(CC)c3nc(Cl)nc(c3n2)N4CCOCC4	566
+c1cc(ccc1F)CNC(=O)c2c(cc(nc2N(C)CC)N3CCOCC3)C	1556
+C1CN(CCO1)c2nc(nc(c2)Cl)I	1653
+C1COCCN1c2cc(Cl)c([N+]([O-])=O)c(OC)n2	91
+C1COCCN1c2nc(Cl)nc(C=O)c2	2714
+C1CN(CCO1)c2nc(nc(Nc3ccccc3)c2)-c4cccc(O)c4	73
+C1CN(CCO1)c2cc(Oc3ccccc3)nc(-c4cc(ccc4)O)n2	185
+CC(C)(C)OC(Nc1cc(OC)c2nc(C(F)F)n(-c3nc(Cl)cc(N4CCOCC4)n3)c2c1)=O	1098
+C1COCCN1c2c3c(cc[nH]3)nc(-c4cc(ccc4)O)n2	16
+C1CN(CCO1)c2c3sc(C=O)cc3nc(Cl)n2	6892
+C1CN(CCO1)c2nc(nc3ccsc23)-c4ccc(C)c(N)c4	2099
+C1CN(CCO1)c2nc(-c3ccc(cc3)N)nc4c5c(n(cc5)CCN(C)C)ccc24	2099
+C1COCCN1c2nc(nc3n(c(CCN4CC(C4)(O)C)nc23)C)Cl	61
+C1COCCN1c2ccc3c(ccc(NC(=O)OCc4ccccc4)c3-c5ccccc5C)n2	495
+CC(C)(C)[Si](C)(C)Oc1cccc(c1)-c2c3ncn(C(C)CC)c3nc(N4CCOCC4)n2	154
+C1COCCN1c2ncc(-c3cnc(NS(=O)(=O)C)cc3)c(c2)Nc4c(C)c(nc5cc(F)cc(c45)F)-c6ccccn6	802
+CC(C)(C)OC(Nc1ncc(cc1)-c2n3c(nc(C=Cc4nc5ccccc5cc4)c3)c(nc2)N6CCOCC6)=O	6893
+C1COCCN1c2c3n(c(Br)cn2)cc(n3)C=O	614
+C1CN(CCO1)c2ncc(Br)n3cc(nc23)COc4ccc5c(cccc5)n4	1155
+C1COCCN1c2c3nc(CO)cn3ccn2	874
+C1COCCN1c2nn3cc(NC(c4c(cnn4C)C(N5CC(C5)F)=O)=O)ccc3n2	1020
+C1COCCN1c2nn3cc(ccc3n2)NC(=O)c4n(C)ncc4C(=O)O	6
+C1CN(CCO1)c2c(c(c(C(OCC)=O)s2)C(c3cc(c(Cl)cc3)Cl)CCO)C#N	237
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4csc(N5CCOCC5)n4)cc3)OC)n2	3931
+C1COCCN1c2scc(COc3c(OC)cc(cc3)CO)n2	41
+Cc1nc(ccc1[N+]([O-])=O)C=O	3971
+Cc1cccc(C)c1-c2nc(c(cc2)F)C=O	3971
+C1CS(=O)(=O)CCC1CCOS(=O)(=O)C	7
+C1CN(CCS1(=O)=O)CCN(CCN2CCS(CC2)(=O)=O)S(=O)(=O)c3c([N+](=O)[O-])cccc3	2715
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C4=NCC(S4)CC(=O)N5CCS(CC5)=O)[nH]3)c2)CC)cn1	10
+C1CS(CCN1C(=O)N2CC(c3ccc(cc3)OC(F)F)CC(C(O)=O)C2)=O	4
+C1CS(CCN1C(=O)N2CC(CC(C(OC)=O)C2)c3ccc(cc3)OC(F)F)=O	468
+FC(F)(F)C(=O)N=S1(CCN(CC1)c2ncc(cc2)C#N)=O	3972
+C1CSC2(S1)c3c(c(C)cc(C(O)=O)c3C)CCC2	595
+C1CC(CCS1)Nc2cc(cc(c2C)C(OC)=O)Br	231
+c1cc(C)n(c1C)-c2cc(F)c(c(F)c2)C3(CCSCC3)O	1589
+C1CC(CCS1)CCO	44
+C1CC(CCS1(=O)=O)N2c3c(N4C(C2=O)(COCC4)C)nc(nc3)Cl	991
+CC(C)(C)NC(c1sc2c(c1N)c(-c3cc(ccc3)NC(=O)N4CCSCC4)nc(n2)-c5ccccc5)=O	468
+C1CN(CCS1)C(c2c3n(ccc3c(Nc4cccc(Cl)c4)nc2)C)=O	1369
+FC(F)(F)Cc1ccc(cc1)C2CN(C(=O)N3CCSCC3)CC(C(OC)=O)C2	468
+FC(F)(F)c1c(F)cc(C2CC(C(OC)=O)CN(C2)C(=O)N3CCSCC3)cc1	468
+c1cc(ccc1)-c2nc(CCNC(=O)c3c(C(=O)N4CCSCC4)cnn3C)c(C)o2	1020
+C1CSCCN1C(=O)N2CC(c3ccc(cc3)CC)CC(C(OC)=O)C2	468
+c1cc(ccc1C2CN(C(N3CCSCC3)=O)CC(C2)C(O)=O)CC	4
+c1cc(ccc1NS(=O)(=O)C)C(NCCN2CCSCC2)=O	93
+CC(C)(C)OC(=O)CN(CCN1c2c(cc([N+](=O)[O-])cc2)SCC1)C	303
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(nc23)-c4n5ccc(C(O)CO)cc5nn4)=O	3973
+c1ccccc1C2OC(CCC(C(CC(C(=O)N(C)C2C)CC(=O)NCc3ccc(cc3)Cl)O)O)=O	6894
+c1cc(ccc1OC)CN(c2nccs2)S(=O)(=O)c3cc4c(cc3)N(CCO4)c5ccccc5C(O)CO	3973
+c1c(cc(c(I)c1)C=O)Br	1837
+c1c(cc(I)c(c1)C=O)Br	1837
+c1c2c(ccc(F)c2oc1)C=O	1837
+C=1(C(C(=O)OC)=C2N(CCC2)C(C=1F)=O)Cl	6895
+C1CC(n2nc(c3cnc(cc23)-c4c(F)c(OC)cc(OC)c4)I)OCC1	6896
+c1(cc(-c2n(C)ncc2F)c(Cl)s1)C(=O)OC	6897
+c1c(cc2c(c(ncc2F)O)c1)Br	3974
+C1Cc2c(-c3c1c(sc3OCC)C(=O)N)n(C)nc2	767
+C(O)c1c2c(-c3c(CCC2)cccc3)ccc1	1146
+C1(c2c(CC1)cc(c(O)c2[N+]([O-])=O)O)=NO	189
+O=C1C(Cc2cc(c(c([N+](=O)[O-])c12)O)O)=Cc3ccc(c(OC)c3)OC	1103
+c1cc(ccc1CCCC)-c2c(c3[nH]c-4c(Cc5c-4ccc(N)c5)c3cc2)F	1150
+C1Cc2c(ccc(c2)F)C1O	74
+O=C(C(C#N)=C1CCc2cc(ccc12)F)OCC	6898
+c1c(cc2CCC(CC)(O)c2c1)F	6899
+[nH]1c-2c(Cc3c-2ccc(c3)F)c4c(C)cc(C)cc14	1150
+CC(Nc1c2c(CCCC2=O)c(c(F)c1)C)=O	3975
+C1Cc2c(cc(N)cc2)CCC1=O	0
+Clc1cc(Br)cc2CCC(=O)N(c12)C	239
+c12c(F)cc(Br)cc1CCC(=O)N2C	239
+N1c2c(CCC1=S)cc(cc2F)Br	199
+COc1cc([N+]([O-])=O)cc2c1NC(CC2)=O	297
+[N+](c1cc(F)c2c(CCN2)c1)([O-])=O	621
+CC(C)(C)OC(=O)Nc1c2c(ccc1)CCCN2	150
+c12c(c(C)c(c3c1CC(C)(O3)CI)C)N(CC2)C=O	6900
+c1c2c(c[nH]c2ccc1)CC(CO)NC(=O)c3cc(cc4c3OCCCC4)Br	14
+O=C1c2ccccc2C(=O)N1CC3Cc4c(O3)c5c(CCC5)cc4	332
+C1CC(=CC#N)c2c1cnc3OCCc23	2011
+c1cc(ccc1)COC(=O)Nc2ccc3c(CCC(=O)CC3)c2	90
+c1(F)c(c2CCNC(CC(OC)=O)c2cc1)Br	526
+c1cc(ccc1)NC(C(N2CCc3c(Cl)c(F)ccc23)CCO)=O	3976
+c1ccc(N)c(Nc2cc3c(C(c4ccc(OC)cc4CC3)=O)cc2)c1	1370
+C1(CCc2cc(ccc12)F)Cl	525
+C1Cc2c(nc(C)s2)-c3c(sc(C(=O)O)c13)SC	6
+C1Cc2c(nc(nc2)I)-c3c1c(nn3C)C(=O)N	247
+n1n(c2-c3c(CCc2c1C(N)=O)cnc(Nc4c(cccc4)C(C)=O)n3)C	6901
+Brc1cc2CCCNc2nc1	15
+CC(=O)N1c2c(cc(cc2C#N)CC(C)NCCOc3ccccc3OCC)CC1	6902
+FC(F)(F)COc1ccccc1OCCNC(C)Cc2cc(C#N)c3N(C(C)=O)CCc3c2	132
+COc1cc2c(cc1)C(C(CCCC)C2)=O	6903
+C1Cc2cc(OC)ccc2Sc3cccc(C(Cl)=O)c13	82
+FC(F)(F)c1cc(Nc2cc(cc(-c3sc(nc3)C4(O)c5c(CC4)cc(C(=O)OC)cc5)n2)C)ncc1	6904
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2cc3c(C(CC3)=O)cc2	2517
+C1(C(=O)c2c(ccc(Br)c2)CCc3c(c(ccc13)OC)C)=O	6905
+CC(C)(C)OC(N1CCc2n(nc(N3CCCc4ccc(cc34)C#N)c2C1)C5CCOCC5)=O	3723
+CC(C)N1CCCc2c1cc(C)cc2	3977
+C1Cc2ccc(nc2NC1)CCCl	221
+c1(nc2cc(ccc2nc1O)C(=O)OC)N3c4cc(OC)ccc4CCC3	6906
+c12cc([N+]([O-])=O)ccc1CCCN2C(=O)C	808
+O=S(=O)(c1c(OC)ccc(c1)Cl)N2CCCc3c2cc([N+]([O-])=O)cc3	416
+CC(C)(C)OC(N1c2c(CCC1)ccc(C(C)=O)c2)=O	603
+C1Cc2ccc(cc2NC1)COC	49
+C1Cc2ccc(cc2NC1)CO	88
+C1Cc2ccc(nc2NC1)CCC(N)=S	2670
+COP(OC)(CC(CCc1nc2NCCCc2cc1)=O)=O	3978
+C1Cc2ccc(nc2NC1)CCC#N	913
+c1c2CCC(=O)Nc2c(cc1C(=O)C)F	94
+CC1(C)C=Cc2cc(CC(NC3CCCc4ccccc34)=O)ccc2O1	9
+c12c(cccc1)CCc3c(cccc3)C2=CC4CNCCO4	215
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NC2CCC(CC2)=C3c4ccccc4CCc5ccccc35	71
+c12c(cccc1)CCc3c(cccc3)C2=CC4CNCCO4	25
+c12ccccc1CCc3c(cccc3)C2CC(O)=O	3471
+C1Cc2c(cc(c(n2)O)NC)-c3c1cccc3	6907
+C1Cc2nc(O)c(cc2-c3c1cccc3)Cl	6908
+c1c[n+](c2c(c1)CCCCC2)[O-]	341
+c1cc(ccc1CC(=O)NNC(=O)c2c(OC)c3n(c2)CCN(C)C3=O)F	2716
+C1Cn2c(C(N1C)=O)c(OC)c(c2)C(=O)O	6
+CC(C)(C)[Si](C)(C)OCC1CCn2c3ccccc3cc2C1	19
+C1Cn2c(C(N1C)=O)c(OC)c(c2)C(=O)OCC	542
+FC(F)(F)c1c(NC)nc(nc1)Nc2cnn3CCN(c23)C	486
+C1CN(C(=O)CC)CC1c2cc([N+]([O-])=O)ccc2OC	1564
+C1N(C(=O)CC)CCC1CC(NN)=O	743
+c1ccccc1COC(Nc2ccc(N3CC(N(CC3)C)=O)c(F)c2)=O	90
+C1N(C(=O)CN(c2ccc(N)cc2F)C1)C	0
+C1N(C(=O)Cc2cccs2)CCCC1C(Cl)=O	130
+C(=O)(C1CN(C(=O)Cc2cccs2)CCC1)NCC	68
+C(OCC)(=O)c1c(sc2c1CN(C(OCC)=O)C2)N=COCC	6909
+C(C)OC(=O)N1Cc2c(C1)sc3ncnc(O)c23	1868
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(Cc2ccc(cc2)-c3cnc4C(=O)N(Cc4c3)C)C(=O)N)=O	156
+Clc1c2c(ccc1)CCN(C#N)CC2	6910
+C1C2c3cccc4N(CCN(c34)C2CCN1)C	215
+FC(F)(F)c1cccc(Oc2c(cc(COC=3C=C4N(C)CCN4C(N=3)=O)cc2)C#N)c1	2468
+C1N(C2=CC(=NC(=O)N2C1)Cl)C	6911
+c1cc(ccc1-n2nc(cc2NC3=NC(=O)CN3C(=O)C)C)F	6912
+C1N(CC1(F)F)c2c(nc(C(=O)O)cn2)Br	1
+FC(F)(F)COc1c(ncc(n1)C(=O)O)N2CC(F)(F)C2	1335
+C1N(CC1)C(c2cnc(Oc3cc(cc(OC(C)COC)c3)C(=O)Nc4nn(cc4)CC)c(Cl)c2)=O	136
+C1N(CC1)C(c2ccc(cc2)C(=O)O)=O	1
+C1N(CC1)C(c2cnc(c(Cl)c2)Oc3cc(cc(C(O)=O)c3)OC(CO)C)=O	1
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(Oc2c(Cl)cc(cn2)C(N3CCC3)=O)cc(c1)C(O)=O)C	19
+C1N(CC1)C2=NC3C(OC(CO)C(O)C3O)S2	59
+c1cc(ccc1C)S(=O)(=O)OCC2C(O)C(O)C3C(O2)SC(N4CCC4)=N3	36
+C1N(CC1)C2=NC3C(O)C(C(OC3S2)CO)OC(C)=O	59
+C1CCN1c2cc(nc3ccc(N)cc23)CCC	0
+C1CCN1c2cc(ncn2)Nc3ccc(cc3)C(O)=O	73
+C1CC2(CCN1C(Cc3cn4nc(C)sc4n3)=O)CN(C2)C5c6c(CC5)cc(-c7cc(C)ncn7)cc6	10
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CC4(C3)COC4	372
+C[Si](C)(C)CCOCn1cc(C(=O)NC(C2CC2)C(N3CC(C3)C#N)=O)c4nc(N5C(=O)c6c(C5)c(Cl)ccc6)cnc14	2717
+C1N(CC1C(=O)O)c2ncccc2Br	270
+C1C(CN1C(OCc2ccccc2)=O)C3(CC3)C(OCC)=O	6913
+C1C(CN1c2ncccc2Br)C(=O)OC	3979
+C1C(CN1c2nc(C)nc(-n3nc(nc3C)C)c2)c4nc5ccccc5[nH]4	791
+FC(F)(F)C1CCC(CC1)Oc2ccc3cc(ccc3c2)CN4CC(C4)C(OC)=O	20
+C1N(CC1CCCCNC(c2cc3cnccc3[nH]2)=O)C(c4ccccc4)=O	81
+CC(C)(C=C(C(N1CC(C1)Cn2c3c(nc2NC(c4sc(cc4)C(F)F)=O)cccc3)=O)C#N)N(C)C	847
+C1C(CN1c2ncccc2)NC3=C(S(=O)(=O)N(C(C)C)C3=O)c4ccccc4	1904
+O=S(=O)(OC1CN(C1)C(c2nnc(-c3ccc(cc3)OC)o2)=O)C	7
+C1C(CN1C(=O)c2cc(-c3c(cc(C)cc3)C#N)cc(C(=O)O)c2)O	6
+C1C(CN1CCc2c(cccc2)N3CCCCC3=O)OS(=O)(=O)C	7
+CC(C)(C)[Si](C)(C)OCCN(C(c1nc(N2CC(C2)O)sc1)=O)C	19
+C[Si](C)(C)c1c2n(Cc3cc(F)ccc3)c(C(=O)Nc4cnc(cc4)N5CC(C5)O)cc2ccc1	510
+C[Si](C)(C)c1cc2c(cc(C(=O)Nc3cnc(cc3)N4CC(C4)O)n2Cc5cccc(F)c5)cc1	510
+C1N(CC1O)c2ncc(cc2)N	13
+C1C(CN1C(Nc2cccnn2)=O)Oc3ncc(-c4c(c(ccc4)OC)F)cc3	89
+C1C(CC1)(CCN2CC(C2)Oc3ccc(cc3)Cl)NC(Nc4nnc(CC)s4)=O	238
+C1N(CC1Oc2ncc(cc2)-c3cc(O)ccc3)C(Nc4cnccc4)=O	796
+C1C(CN1C(N)=NO)c2onc(-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)n2	3699
+c1c2c([nH]c3C(CC=C)(CN(Cc23)C)C)ccc1C	518
+c1cc(ccc1C2C(c3ccc(c(c3)F)Cl)=C(c4cc(ccc4O2)OC5OCCCC5)C)OCC(C)N6CCC(CF)C6	669
+C1N(CCC1COC(=O)Nc2c(cccc2)-c3cc(CO)ccc3)C	11
+FC(F)(F)c1cc(C(NCC(=O)NC2CCN(C2)C3CCCCC3N=[N+]=[N-])=O)ccc1	9
+FC(F)(F)C(NCCNC1CN(c2ccnc3ccc(OC)nc23)CC1)=O	605
+Clc1cccc(C(NCc2cc(OCC3CN(C)CCC3)c(Cl)cc2)C)c1	72
+C1N(C)CCCC1Cn2cc(-c3cc(C#N)ccn3)nc2	871
+C1N(CCCC=O)C(=O)CCCCC1	465
+Cc1nc(N)nc(NCCCC)c1Cc2c(OC)cc(cc2)N3CCN(CC3=O)C	654
+c1ccccc1-n2c(cc(n2)-c3cccnc3)NC(NC4C(c5cc(F)c(cc5)F)CN(CCOC)C4)=O	6914
+C(COc1cc(C(Nc2sc3CN(CCc3n2)C)=O)ccc1)(Nc4cccc(C#N)c4)=O	900
+Nc1sc2CNCCc2n1	526
+C1N(CCc2c3C(N(C=Nc3sc12)CCCl)=O)C	6915
+C1N(CCc2ccnc3c2nc(OC)cc3)CCCC1CNCc4ccc5c(n4)NC(=O)CS5	294
+CN(C)CC(=O)N1c2ccc([N+]([O-])=O)cc2CC1	224
+CN1C=C(C=C(C1=O)Nc2cccc(N3CC(NC(C=C)=O)CCC3)n2)Br	523
+c1cc(ccc1S(=O)(=O)Cl)C(=O)N2CCN3CCCC3C2	115
+O(c1nnc(cc1)Cl)C2CCN3CCCC2C3	485
+O=S(=O)(C)OCC1CN2C(CC1)CN(CC2)c3noc4ccccc34	7
+O=Cc1cc(ccc1O)-n2nncn2	6916
+c1(Cl)cc2c(C=O)c[nH]c2nc1	6917
+Fc1cc(cc(F)c1O)C=O	1934
+O=Cc1cc(cc(Cl)c1O)Br	1934
+c1(O)c(cc(cc1F)Br)C=O	1934
+N1C(CN=C(c2c([N+]([O-])=O)cccc2)c3ccsc13)=S	2718
+N#Cc1c(OCCOCCOC)cc2c(C(c3c(cccc3)Cl)=NCC(N2)=S)c1	199
+Clc1cc(c(cc1)C2CNC(=O)C2)Br	480
+C1NC(=O)CC1c2ccc(Cl)c(N)c2	0
+c1ccccc1CCCOc2cc(ccc2OC)C3CNC(=O)C3	8
+c1c(ccc(c1Cl)Cl)C=CC(=O)N2CCNC(CC2)=O	404
+FC(F)(F)c1cnc(cc1)N2CC(NCC2)=O	3980
+c1([N+]([O-])=O)ccc(N2CC(=O)NCC2)nc1	3980
+O=C(N1CC(=O)NCC1)c2c(c(c(cc2)F)Cl)Cl	6918
+c1cc(ccc1C2CN(CC(=O)N3CCNC(=O)C3)C(=O)C2)Cl	348
+c1cc(ccc1)CCN2CCNC(=O)C2	1508
+CC(C)(C)OC(=O)N1C(Cc2c3c(cccc3)[nH]c2C1)C(=O)O	663
+n1cccnc1-c2c(C(N3C(CCC(O)C3)C)=O)ccs2	3866
+C(C)OC(=O)N1C(CNC(C1)C)C	66
+c1([N+]([O-])=O)ccc(c(F)c1)N2C(CNC(C)C2)C	34
+C1NC(NCC1)=NCCCOc2ccc3CC(CC(O)=O)c4c(Cc3c2)cccc4	3
+c1cc(ccc1[N+]([O-])=O)N2CCC3C2CCN3	34
+O=S(=O)(N1CC(Nc2c(C(=O)N)cnn3c2cc(Br)c3)C(C)C1)C	112
+c1(NC2CN(c3ccc(cn3)C#N)CC2C)c(C(=O)N)cnn4c1cc(c4)Br	323
+C1C(CN1c2nc(S(=O)(=O)C)nc(c2F)Nc3cc(n[nH]3)C)(F)C4CC4	54
+C1C(CN1S(=O)(=O)CCC)(CNC(c2c(ccc(F)c2Cl)F)=O)C3CCCCN3C	112
+C1N(CC1(C(=O)N)NCC)c2ccnc3c(c(nn23)-c4c(cccc4)Cl)I	1575
+C1C2(CN1c3c([N+](=O)[O-])cc(c(c3)OC)Nc4nccc(n4)-c5cnn6c5CCCC6)N(CCC2)C	34
+CC(C)(C(c1cc(cc(c1)F)C(=O)OCC)C2CN(C2)C(c3ccc(cc3)C#N)c4cccc(c4)C#N)F	1109
+C1C(CN1C(c2cccc(c2)C#N)c3ccc(cc3)Cl)C(C(C)(C)F)c4cc(cc(F)c4)C(=O)OCC	1109
+CC(C)(C)OC(=O)NCCCN1CC(C1)Cc2ccc(cc2)Cl	28
+C1C(CN1CC2Oc3c4ccc(C)nc4ccc3OC2)Cc5cn(c6c5cc(F)cc6)C	2510
+C1C(CN1C(c2cnn(C)c2C(=O)Nc3ccn4nc(nc4c3)N(C)C)=O)F	1020
+C1C(CN1c2ncnc3c2c(I)nn3C)F	1577
+FC(F)(F)c1cc(Br)cc(C(N(CC(CCN2CC(C2)N3C(COCC3)CCO)c4ccc(cc4)F)C)=O)c1	61
+c1cc(ccc1C(Nc2nc(Nc3cnccn3)cc(n2)N4CC(C4)NC(C)=O)C)F	54
+O1CCOC1c2cnc(cc2)-c3sc4c(nccc4Oc5ccc(cc5F)NC(=O)NC6CN(C6)C)c3	113
+C1OCC1N2CCC(CC2)c3cc(N4CC(C4)OC)nc(c3)Cl	43
+C1C(CN1c2ncc(cn2)C(=O)OC)OC	117
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)N2CC(C2)OCCOC3CCCCO3	560
+CC(C)(C)OC(NC(CCN1CC(C1)Oc2ccc(cc2)Cl)COC)=O	183
+CC(C)(C)OC(=O)NC1(CCC1)CC(=O)N2CC(C2)Oc3ccc(cc3)Cl	10
+C1C(CN1C(Oc2ccc(cc2)[N+]([O-])=O)=O)Oc3ccc(Br)cn3	66
+c1cc(ccc1)C(c2ccccc2)(O[SiH2]C(C)(C)C)C(CCN3CC(C3)S(=O)c4ccc(cc4)Cl)NC(OC(C)(C)C)=O	183
+c1(Cl)cncc(Cl)c1N2CC(C2)c3[nH]c4c(n3)ccc(C)c4	264
+C1N(CC1c2onc(n2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)C#N	739
+C1C(CN1C(=O)c2[nH]c3ccccc3n2)c4nccnc4Cl	2090
+C1NCC2C(C)c3cc(Cl)c(cc3C12)O	5
+C1NCC2C(C)c3cc(Cl)c(cc3C12)OC	196
+c1cc(ccc1)COC(=O)N2CC3C(=O)CCC3C2	66
+c1nc(ncc1C(OCC)=O)N2CC(Oc3ccccc3OCC)CCC2	117
+CC(C)c1c(C)nc(SC)nc1N2CCOc3ccc(cc3C2)-c4cc5nc([nH]c5cc4)C	54
+c1ccccc1CSc2nc(N3Cc4n(CC3)ccn4)c(C(OC)=O)c(NCc5ccc(c(c5)Cl)OC)n2	54
+FC(F)(F)c1cnn2c(ncc2-c3cccc(c3)-c4cnccc4)n1	6919
+C(#N)c1c(-c2cc(N)c(cc2)-n3nccc3)cccc1	749
+C(#N)c1c(cccc1)-c2cc([N+]([O-])=O)cc(F)c2	749
+c1cc(ccc1OCCN2CCOCC2)-c3cc4c(C=O)c[nH]c4cc3Cl	749
+c1cc(ccc1OCCO)-c2c(F)c3c(C=O)c[nH]c3cc2F	749
+c1cc(ccc1NC(Nc2c(c(C3CC3)cc(-c4c(cccc4)C#N)c2)OCCC)=O)C5CC5	749
+c1ncccc1-c2cccc(Br)c2	6920
+C1(c2nc3cc(ccc3n2-c4cccc(C(=O)OC)c4C)F)CCCO1	3981
+C1SC(N)=NC2(c3c(F)ccc([N+]([O-])=O)c3)C1CC(CO)OC2	6921
+C1(OC2CC(CC(c3ccc(c(c3)Cl)Cl)C(=O)OC)CC2)CCCCO1	434
+O=C(O)c1ccc(c(F)c1Nc2c(F)cc(cc2)C#CCOC3OCCCC3)F	275
+C1OC(CCC1)OCC(n2c3c(c(C(=O)c4cncc(N)c4)c2)cncn3)C	3982
+C1OC(CCC1)OCC(n2c3c(c(C(=O)c4cncc(N)c4)c2)cncn3)C	3983
+CC(C)c1cn(nn1)CC(=O)Nc2cncc(c2)C(=O)c3c4c(ncnc4)n(c3)C(COC5CCCCO5)C	469
+c1c2c(ccc1)nn(n2)CC(Nc3cc(cnc3)C(=O)c4c5c(ncnc5)n(c4)C(COC6CCCCO6)C)=O	469
+C1OC(CCC1)OCC(n2c3c(c(C(=O)c4cc(cnc4)Br)c2)cncn3)C	6922
+C1OC(CCC1)OCC2CCc3cc(NC(C)=O)ccc3O2	125
+CC(=O)Nc1ccc2c(CCC(CO)O2)c1	168
+C1OC(CCC1)OCC2CCc3cc(N)ccc3O2	0
+C1CC12CCC(COC3CCCCO3)N2C	6923
+C1OC(CCC1)OCC2Oc3c(N)cc(cc3CC2)F	0
+C=1C(=O)C(OCCCCn2ccc3ccccc23)=COC=1COC4OCCCC4	339
+CC(C)(C)[Si](C)(C)OC1(CCN(CC1)C(=O)OC(C)(C)C)c2n(CCOC3CCCCO3)cc(n2)-c4ccc(c(C)c4)F	541
+c1c(OCCOC2OCCCC2)c(cc([N+]([O-])=O)c1)OC	8
+c1cc(c(C=O)c(F)c1OCCOC2OCCCC2)F	8
+c1cc(OC)cc(C=O)c1OCCOC2OCCCC2	8
+O=S(=O)(c1c(F)ccc(F)c1)N(COC)c2c(c(ccc2)-c3nn(cc3Br)CCOC4OCCCC4)F	338
+C1OC(CCC1)OCCOc2cccnc2CO	458
+c1ccccc1CCCC(C)(Cc2ccc(cc2)OCCOC3CCCCO3)C(=O)OCC	8
+c1cc(ccc1CC(Oc2ccccc2)C(OCC)=O)OCCOC3CCCCO3	8
+c1cc(ccc1C(C)C)OC(Cc2ccc(cc2)OCCOC3OCCCC3)(C)C(=O)OCC	8
+c1cc(ccc1)COc2ccccc2OCCOC3OCCCC3	8
+c1c2nccc(c2ccc1OCCOC3OCCCC3)-c4c5n(nc4-c6ncccc6)CCC5	8
+C1OC(CCC1)OCCC#CCO	6924
+c1cc(ccc1OCC#CCCOC2OCCCC2)S(=O)(=O)N3C(C(=O)OC)C(C)(C)SCC3	6925
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC#CCCOC3OCCCC3	6926
+c1cc(ccc1)COC(=O)CCOC2OCCCC2	283
+c1(C)cc(cc(C)c1Br)OCCCOC2CCCCO2	8
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCCCCCCCCCC#CCCCCOC3CCCCO3	2354
+CC(C)(C)OC(COCCCCOC1CCCCO1)=O	337
+O=C1N(c2c(cc(cn2)Oc3cncc(Cl)c3)C(N1CCCOC4OCCCC4)=O)C	3984
+C1OC(CCC1)OCCOc2nc(Oc3ccc(Br)c(C=O)c3)ccc2C#N	136
+O=S(=O)(C)OCc1ncccc1OCCOC2CCCCO2	710
+CC1(C)OB(OC1(C)C)c2c(C=O)cc(Oc3ccc(c(OCCOC4CCCCO4)n3)C#N)cc2	17
+FC(F)(F)C(c1ccc(cc1CCOC2CCCCO2)OC)(O)C	6927
+c12c(c(c(Cl)cc1C)COC3OCCCC3)cc[nH]2	1654
+CC(C)C(NCc1cncc(c1COC2OCCCC2)Cl)=O	68
+CC(C)(C)OC(=O)CC(c1cc(-n2c(cnn2)COC3OCCCC3)ccc1)=O	6928
+CC(C)(C)OC(N1CCC2(CC1)Oc3ccc(C=CC(NOC4OCCCC4)=O)cc3C(C2)=O)=O	793
+CC(C)CC(C(=O)NOC1CCCCO1)C(CCC)O	293
+CC(C)CC(C(=O)NC(CCc1ccccc1)C(=O)NC)CC(=O)NOC2CCCCO2	293
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCC(S(=O)(=O)C)(C(NOC3CCCCO3)=O)C	293
+CN(C)c1ccccc1CN2CC(CC2)Nc3cnc(C=CC(NOC4CCCCO4)=O)cn3	793
+O=S(=O)(C(CCc1ccc(cc1)Br)(C(NOC2CCCCO2)=O)C)C	293
+O=S(=O)(C)C(CCn1ncc(-c2cnccn2)c1)(C)C(NOC3CCCCO3)=O	1376
+C1CC1C#Cc2cc(no2)CCC(S(=O)(=O)C)(C)C(NOC3CCCCO3)=O	293
+O=S(=O)(c1ccc2ncnc(Nc3cc(ccc3)C#C)c2c1)n4cc(cc4)C=CC(=O)NOC5OCCCC5	793
+c1cc(ccc1)C=2C=CN(C(=O)C=2C)CCC(C)(C(NOC3CCCCO3)=O)S(=O)(=O)C	293
+c1cc(ccc1)CN2CCC3(CCC2)Oc4c(cc(C=CC(NOC5OCCCC5)=O)cc4)C(C3)=O	793
+O=S(=O)(C(CCc1ccc(cc1)-n2cccn2)(C(NOC3CCCCO3)=O)C)C	293
+c1cc(ccc1CCC(C(=O)NOC2CCCCO2)(S(=O)(=O)C)C)Oc3ccccc3	293
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(NOC3OCCCC3)=O)=O	793
+c1cc(ccc1C(=O)N(C(C(NOC2CCCCO2)=O)(C(NC)=O)C)C)I	6929
+c1ccccc1CS(=O)(=O)n2cc(C=CC(=O)NOC3OCCCC3)cc2	793
+c1nc(ncc1C(=O)NOC2CCCCO2)N3Cc4[nH]c5ccccc5c4CC3	6930
+C(OC(=O)CC1OB(c2cc(O)cc(Cl)c12)O)C	805
+FC(F)(F)S(=O)(=O)Oc1cc(OC2OCCCC2)cc(c1C=O)Cl	166
+FC(F)(F)Oc1ccc(cc1)COc2nc3c(cc2)cc(OC4CCCCO4)cc3	1155
+C1OC(CCC1)c2c(c(nc(C)c2C#N)Cl)C#N	1655
+C(#N)c1c(nc(c(c1C2OCCCC2)C#N)C)S	3985
+c1cc(OC)c(CC2COC(=O)N2CCC)cc1Br	3986
+c1(c(F)c(OCC(O)C)c(cc1)[N+]([O-])=O)F	168
+C(C#CCCCCCCCC#C)CCCO	168
+O=C(C)OC1COC(n2c(Br)nc3cc(c(F)cc23)F)C(O)C1O	59
+c1c(F)c(ccc1F)C(C(C)c2ncccc2)(Cn3ncnc3)O	1377
+c1c(F)c(ccc1F)C(C(C)c2cccnc2)(Cn3ncnc3)O	1377
+c1(ccc(cc1Br)F)C2C(C(=O)OCC)=C(N=C(c3sc(OC)cn3)N2)CN4C(CO)COCC4	2644
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ccc(CN5CCOCC5=O)cn4	3463
+C1C(CO1)(C)C(c2ccc(C)o2)N	18
+C1OCC1(C(N=[N+]=[N-])c2oc(C)cc2)C	6931
+CC(C)(C)OC(=O)N1c2cc(Cl)ccc2C(=Cc3c(ccc(c3)Cl)OCC4(COC4)C)C1=O	1881
+C1C(CO1)(CO)Cn2cc(cn2)[N+]([O-])=O	338
+C1OCC1(CC(=O)N)N	728
+c1cc(ccc1S(=O)(=O)OCC2(COC2)C)C	36
+C1OCC1(CC(=O)O)c2ccc(cc2)OCc3cc(-c4c(C)cc(cc4C)OCC5COCC5)ccc3	3
+c1cc(ccc1-c2cc(COc3ccc(cc3)C4(COC4)CC(OCC)=O)ccc2)O	11
+C1OCC1(c2ccc(cc2)OCc3cc(-c4c(C)cc(cc4C)OCC5COCC5)ccc3)CC(=O)OCC	267
+c1cc(ccc1)CNC2CCC3(CC2)COC3	87
+c1cc(ccc1O)C2(COC2)CC(=O)OCC	6932
+CC(C)(C)OC(N1CCN(C2COC2)C(C1)CO)=O	85
+CC1(C)N(CCN(C1)c2ccc(cc2OC)[N+](=O)[O-])C3COC3	85
+C1OCC1N2CCN(C(C2)CC)c3ccc(nc3)NC4=CC(=CN(C4=O)C)Br	85
+O=S(=O)(CCC)NCc1ccc2c(C(Cc3ccccc3)C(CC2)NC4(COC4)C#N)c1	6933
+FC(F)Oc1cc(-c2nc(nc(c2)C3CCN(CC3)C4COC4)C5CC5)cnc1N	85
+C1C(CO1)N(Cc2n(nc(c2)[N+]([O-])=O)C)C	85
+C1C(CO1)N2Cc3cc(NC4=CC(=CN(C4=O)C)Br)nn3CC2	85
+c1cc(ccc1CN2c3c(C(=O)N(C2=O)Cc4ccc(cc4)C(NCC5COC5)=O)cccc3)C	14
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)NC3COC3	6934
+FC(F)(F)c1c(N)ncc(c1)-c2nc(N3CC(C3)OC)cc(C4CCN(CC4)C5COC5)c2	1608
+CC1(C)OB(OC1(C)C)C=2C=C(Nc3ncc(N4C(CN(CC4)C5COC5)CC)cc3)C(=O)N(C)C=2	1371
+C1C(NC(=O)c2cncc(N)c2)(CCO1)C(=O)O	1317
+CC(C)(C)OC(=O)N1CC(c2cccc(c2)F)NC(=O)C13COCCOC3	1568
+c1([N+]([O-])=O)cc-2c(OCc3n-2cc(C(=O)OC)n3)cc1	31
+C1c2c(c(F)c(F)c(OCOC)c2I)OCC1	184
+O=S(=O)(c1ccccc1F)Nc2ccc3C4C(COc3c2C(OC)=O)OCC4	69
+FC(F)(F)S(=O)(=O)Oc1cccc2c1NC(CNC(=O)C)CO2	166
+c1cc(ccc1C)SC(CCCCCN2Cc3cc4c(cc3CC2)OCO4)c5ccc(c(c5)OC)OC	28
+C(NCCCNc1cc2OCOc2cc1)C3COc4ccccc4O3	15
+c1cc(ccc1OC2CCCN(Cc3ccc4c(c3)OCO4)C2)N	171
+c1ccccc1C(c2ccccc2)(C3CN(Cc4ccc5OCOc5c4)CC3)C(N)=O	171
+C1Oc2ccc-3c(c2C1)C(=CC#N)c4c-3cccc4	2719
+C1Oc2cccc(c2NC1CNC(C)=O)OC	206
+C1Oc2c(c(ccc2)O)NC1CNC(C)=O	5
+O=S(=O)(c1ccc(cc1)C)OCC2Nc3c(OC)cccc3OC2	36
+CC(C)(C)OC(N=C1NC2(COC(CC2CS1)CO)c3cc([N+](=O)[O-])ccc3F)=O	2720
+C1SC=2C(N3C(C=CC(C(=O)N)=C3)=NC=2C1)=O	6935
+C1SC=2C(N3C(C=CC(=C3)C(=O)O)=NC=2C1)=O	108
+C1SC=2C(N3C=C(c4nnn[nH]4)C=CC3=NC=2C1)=O	6936
+C1SC=2C(N3C(C=CC(C#N)=C3)=NC=2C1)=O	6937
+C(=O)(Cc1ccc2SCc3c(cccc3)C(=O)c2c1)OCC	1643
+C1c2c(cncc2C(NC(CC)=O)C1)-c3cc4CCC(N(c4cc3)C)=O	156
+c1c(sc(-c2cc3CN(C(c3cc2)=O)C)c1)I	1927
+C1Cc2c(C(c3cccc(c13)O)=O)ccc(Cl)c2	5
+c1c2CCCC(c2ccc1OCCCl)=O	267
+C1c2c(Br)cncc2C(NC(CC)=O)C1	9
+C1CC(Cc2c1c(ccc2)O)O	100
+c12c(CC(C1)(C(NC)=O)CCCCCCCCO)c(c(OC)c(OC)c2OC)OC	9
+C1C(Cc2cc(Oc3ncc(cc3)C(=O)N)ccc12)C=O	24
+C1C(CO)Cc2ccc(O)cc12	6938
+C1c2c(CC1Nc3nc4CCN(C(c5ncc(cc5)-c6nn[nH]c6)=O)Cc4cn3)cccc2	6939
+C[Si](C)(C)C#Cc1cnc(cc1)C(N2Cc3c(CC2)nc(NC4Cc5c(C4)cccc5)nc3)=O	683
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(OCCCc5c[nH]nn5)=O)cccc2	6940
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(OCCCC#N)=O)cccc2	913
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(=O)OCCCc5nnn[nH]5)cccc2	3988
+C[Si](C)(C)C#Cc1cc(C(=O)N2Cc3cnc(NC4Cc5ccccc5C4)nc3CC2)cnc1	683
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(=O)OCCCCl)cccc2	66
+C1c2c(CC1Nc3nc4c(CN(C(=O)c5cncc(Br)c5)CC4)cn3)cccc2	211
+C1c2c(CC1Nc3nc4CCN(C(c5ncc(Br)cc5)=O)Cc4cn3)cccc2	147
+c12c(OC(N)=C(C#N)C1c3cc(c(c(c3)OC)OC)Br)c4CCCCc4cc2	6941
+CC(C)Oc1c(ccc2c1CCCC2)OC	521
+FC(F)(F)c1cc(NC(=O)c2nccc(N3Cc4c(C3)cnc(SC)n4)c2)ccc1	1465
+FC(F)(F)c1cc(ccc1)N2C3=C(C(=O)CCC3)C(c4ccc(cc4)C#N)N(CC(=O)N5Cc6c(n(nc6)C)C5)C2=O	10
+Clc1c2c(c(Cl)s1)CNC2	2721
+OC1c2cc(cc(F)c2CCC1)Br	74
+c12N(C)C(=O)CCc1cc(cc2)-c3cc(ccc3)F	239
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCO)OC)OC	44
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCN3C(c4c(cccc4)C3=O)=O)OC)OC	1656
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCNC(=O)C)OC)OC	68
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCN)OC)OC	45
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCOS(=O)(=O)C)OC)OC	7
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCI)OC)OC	572
+c1ccccc1-c2c(-c3ccccc3)ncc(N(C)C4CCc5c4cccc5OCOC)n2	317
+C(c1cc2c(cc1)C(Cc3c(S2)cccc3)=O)O	49
+C1CCOc2c1c(I)c(O)c(F)c2F	241
+C1c2c(cc(c(c2)O)F)CCC1C(=O)O	5
+C(OC)(=O)C1Cc2c(cc(c(c2)O)F)CC1	27
+C1c2c(cc(cc2Cl)F)C(C1)(O)CC(=O)O	3
+C1c2c(ccc(Br)c2)CC1N3C(=O)CN(CCc4cc5COC(=O)c5cc4)CC3	2575
+c1cc(ccc1)C(=C2c3ccccc3N(C2=O)C(C)=O)OCC	6942
+c1([N+]([O-])=O)ccc2c(CC(=O)N2C(=O)C)c1	31
+c1cc(ccc1C(=O)N2c3c(cccc3)Cn4c(C2)ccn4)[N+]([O-])=O	448
+[N-]=[N+]=NC1CCc2c(cccc2F)NC1=O	6943
+CC(C)(C)OC(COc1cccc2c1CCCC2=O)=O	52
+Clc1ccc(c(COc2c3CCCC(c3ccc2)=O)c1)Br	22
+c1cc(ccc1)COc2c3c(ccc2)C(CCC3)=O	22
+c12CCCC(c1cncc2Br)=O	6944
+C1c2c(nc(C(=O)O)s2)CC1	6
+FC(F)(F)c1cc(COc2ccc3c(c4CCC(c4[nH]3)CC(OCC)=O)c2)ccc1CC5CCCCC5	22
+FC(F)(F)c1cc(ccc1OCC2CC2)COc3ccc4c(c5CCC(c5[nH]4)CC(OCC)=O)c3	139
+c1cc(ccc1COc2ccc3c(c2)c4CCC(c4[nH]3)CC(OCC)=O)-c5csnn5	22
+c1cc(ccc1COc2ccc3c(c2)c4CCC(c4[nH]3)CC(OCC)=O)-c5nccnc5	6945
+C1CC(CN)Cc2[nH]c3c(c12)c(ccc3C(=O)N)Br	6946
+C1c2c3c([nH]c2C(CC(OCC)=O)C1)ccc(O)c3	5
+c1cc(ccc1C(C)C)SCc2cc3CCN(CCc3cc2)CCC	2722
+CC(C)CN(CC(OC)=O)C(CNC(=O)C1COc2ccc(cc2C1)OC)=O	207
+C1c2cc(CCl)ccc2CCN(CCC)C1	438
+C1c2ccc(c3c2c(ccc3)C1)N4CCNC(C)C4	79
+C1c2ccc(N3CC(C)N(CCC4c5c(CCO4)cc(cc5)C(=O)N)CC3)c6c2c(ccc6)C1	123
+c12c(nc(C=Cc3cc4C(=O)c5c(COc4cc3)cccc5)cc1)cc(Cl)c(F)c2	3990
+c1cccc2CC(Cc12)(NC(=O)c3ccc(c(OCCc4cc(C)ccc4)c3)Br)C(=O)OC	259
+c1cccc2CC(Cc12)(C(=O)OC)NC(=O)c3cc(Br)c(c(c3)F)OC	259
+c1c2CC3(N(C)C(=O)NC3=O)Cc2cc([N+]([O-])=O)c1	77
+C1CCN(C1)C2Cc3c(C2)cc(cc3)[N+](=O)[O-]	31
+c1ccccc1N(CCCC2CCCCN2Cc3ccccc3)C4Cc5c(cccc5)C4	79
+CC(C)(C)OC(Nc1cc(N2CCc3c(cnc4ccnn34)C2)ccc1)=O	79
+CC(C)(C)OC(=O)N1Cc2c(cc(cn2)Br)C1	23
+c1(CN2Cc3c(C2)nccc3)nn4c(c5c(nc4N)c(ccc5)COC)n1	894
+CC(C)(C)OC(=O)Nc1cc2c(CCC2)s1	2724
+C1c2sc(C(=O)O)cc2CC1	1
+c1(c2C(C)NCCc2sc1)C	6947
+n1c(c(Br)cc(Br)c1)C#N	6948
+O=C1C(C(=O)C)=C(C=C2C1(c3c(cc(c(C(=O)NCc4c5c(cccc5)ccc4CC)c3O2)OC)O)C)O	3991
+c12c(OC=3C1(C(=O)C(C(C)=O)=C(C=3)O)C)c(c(cc2O)OC)C(=O)NCc4c5ccccc5c(OCC#CC)cc4C	3991
+O=C1N(C(C)=C(N)C(=O)N1C)CCCC	3244
+C=1(C(=O)NC(C=1c2cc(N)ccc2)=O)c3c4ccccc4n(C)c3	0
+c1cc(ccc1NC(=O)C=2CCCC=2c3cccc(C#N)c3)N4C(=O)CCCC4	6949
+CC(C)(C)C(C)NC1=C(C(=O)C1=O)Nc2c(cc(cc2)C#N)CC	993
+c1c(I)cc(c(c1)NC=2C(=C3CCCN3C(C=2Cl)=O)C(=O)O)F	6950
+c1c(I)cc(c(c1)NC=2C(=C3CCCN3C(=O)C=2F)C(=O)O)F	6951
+C=1(C(C(=O)O)=C2N(CCC2)C(C=1F)=O)Cl	127
+c1c(C=CC(=O)C2=C(O)C=C(C)N(C2=O)C)cccc1NC(=O)OCCOC	3556
+FC=1C=CC2=NC(=C(C(N2C=1)=O)Br)C=O	3605
+C1(N(C(=O)C(=CN1COC)[N+]([O-])=O)CC(OCC)=O)=O	3560
+CC(C)(C)[Si](C)(C)OC1CC(=O)C(CC=C)=C1C	947
+n1c(C)ccc(Br)c1C#N	6952
+n1c(C)ccc(Cl)c1C#N	6953
+c12C=C(C(O)=O)CCN(c1ccc(c2)-c3cc(c(cc3)OCC)F)C=O	127
+C1(=C(CCC1)CCl)c2c(cccc2)F	6954
+c1cc(ccc1Cc2ccc(cc2)N=C3NCCN3)CS(=O)(=O)NCc4ccccc4	6955
+S=C1N(c2[nH]cnc2C(=O)N1)c3cc(CC)ccc3	2725
+N1(C(=O)N(C(=CC1=O)C)CCCC)C	2726
+C=1(N(Cc2cc(ccc2)OC)C(C(=C(O)C=1)I)=O)C	6956
+C=1(N(C(C(=C(O)C=1)Cl)=O)Cc2cc(ccc2)OC)C	6957
+C=1(NC(N(C(=O)C=1)C)=O)N	2726
+C1(C(=C(N)NC(=O)N1)N=O)=O	863
+n1c(O)cc(nc1SC)N	6958
+CCC(C=1N=C2C=CC=C(C)N2C(C=1I)=O)Br	6959
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCN(CC3)CCC4=C(N=C5N(C(=CS5)C)C4=O)C	2000
+NC1=C(N=O)C(N(C(=O)N1)C)=O	1882
+c12n(ccn1)c(Cl)nc(-c3cc(Cl)ncc3)c2	3992
+c1cc(ccc1N2C(=Nc3ccccc3C2=O)CC)F	2103
+c1c2N=C(N(C(=O)c2ccc1)c3c(OCC)cccc3)CC	2103
+C=12C(CC(CC=1NC(=C(C#N)C2c3cc(Br)c(OCc4cccc([N+]([O-])=O)c4)c(N)c3)C)CCC)=O	22
+O=S(=O)(C)Nc1c(c(Br)cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)c1)OCc4cccc([N+]([O-])=O)c4	80
+C=12C(CC(CC=1NC(=C(C#N)C2c3cc(Br)c(O)c(N)c3)C)CCC)=O	0
+c1(ccnc(O)c1C)SC	6960
+O=S(=O)(c1nc2c(cn1)C=CC(=O)N2Cc3c(cccc3)Br)C	528
+c1c(c(C(=O)OC)sc1-n2cnc3ccccc23)O	6961
+C=1C(Oc2c(ccc(c2)CCCCO)C=1)=O	213
+FC(F)(F)S(=O)(=O)Oc1cc2OC(=O)C=Cc2cc1	166
+c1cccc2[nH]cc(C=3CCN(CC=3)CCC=4C(N5C(=NC=4C)C(=CC=C5)C)=O)c12	6962
+C=1C=C(CCO)C(N(c2ccc([N+]([O-])=O)cc2OC)C=1)=O	6963
+c1cc(ccc1)[Si](c2ccccc2)(OCCC=3C(=O)N(c4ccc(cc4OC)[N+](=O)[O-])C=CC=3)C(C)(C)C	328
+[n+]1(c(cccc1)-c2nc(ccc2C)COC(C)=O)[O-]	6964
+C(C)C(CC)(C)C=1CC=CC=1	6965
+C1CCCC1c2c(cncc2)Br	191
+C=1CN(c2c(cccc2CS(=O)c3[nH]c4c(n3)cccc4)C=1C)C	172
+C1CN(C)CC=C1c2cnc(cc2)[N+]([O-])=O	1960
+CCC(c1ccc2c(C3C(C(OCC)=O)C3CO2)c1O)=O	6966
+C=1COc2cccc(c2C=1)C(=O)O	1
+c1(cccc2OCCCc12)C(=O)O	374
+C=1N(C(C(C(=O)O)=CC=1)=O)C	127
+c1ccccc1COc2ccc(cc2)C3=CC=CN(C)C3=O	3993
+c1cc(ccc1C(C)N2CCC(c3ccccc3)(CCc4nnc(C)o4)OC2=O)C5=CC(=O)N(C)C=C5	3994
+c1cc(ccc1C(C)N2CCC(OC2=O)(C(C)C)CCCO)C3=CC(=O)N(C)C=C3	3994
+C=1N(C(c2c(cccc2)N=1)=O)c3c(c(ccc3)-c4cnc(c5[nH]c6c(ccc(OCC(C)O)c6)c45)C(N)=O)C	684
+C=1N(C(c2c(cccc2)N=1)=O)c3c(c(ccc3)-c4cnc(c5[nH]c6c(ccc(OCC=O)c6)c45)C(N)=O)C	24
+C=1N(C(c2c(cccc2)N=1)=O)c3c(c(ccc3)-c4cnc(c5[nH]c6c(ccc(OCCO)c6)c45)C(N)=O)C	88
+Nc1cccc2C(OC=Cc12)=O	0
+c1cnc(c2c1c([N+]([O-])=O)ccc2)O	6967
+C=1c2c(c(cc(I)c2)C(=O)O)OC(C=1)C	1
+c1c2c(c[nH]c2ccc1)CC(CO)NC(=O)c3cc(I)cc4c3OC(C=C4)C	14
+CN1c2c(C=C(C(=O)O)C1=O)cccc2	108
+CC1(C)CCOc2cc(ccc12)NC(=O)C	3995
+N1(C(=O)N(CC(=C)C)C(N)=CC1=O)C	3996
+C(C1(C)CO1)Oc2cc(ccc2[N+]([O-])=O)F	2727
+CC1(C)Cc2c(ccc(c2O1)[N+]([O-])=O)Cl	1658
+c1cc(ccc1CN2C(CC(OC)=O)c3ccccc3C(=C)C2)C(=O)Nc4ccccc4N	6968
+CC(C)(C)OC(=O)N1CCC2(CC1)C=CC(=O)CC2	6969
+CC1(C)C=Cc2c(cc3c(nccc3C)c2)O1	3997
+COc1cc2CC(CCC(=O)C)(C(=O)c2cc1)C	2104
+C(C(c1cc(Cl)ccc1OCc2cccc(F)c2F)=O)CC(=O)C	2728
+Nc1cc2CC(CCC(=O)C)(C(c2cc1F)=O)CCCC	2104
+n1c(C2(C=CC(=O)CC2)C)c(Cl)ccc1	6970
+C(C(c1cc(c(SC)cc1)F)=O)CC(=O)C	2728
+c12c(c(c(cc1)OC)C)CC(CCC(=O)C)(C2=O)CCCC	2104
+c1c(cc(cc1)Cl)C2(c3cccc(Cl)c3)CCC(=O)C=C2	3808
+c1cc(ccc1Oc2cccc(c2)C(CCC(C)=O)=O)F	2728
+n1ccc(C)c2cc(C#N)ccc12	3997
+CC(C)(C)OC(=O)N1CCC(CC1)N(Cc2ccccc2)C(=O)C=C	404
+CC(C)(C)OC(Nc1nc(N2CCCC(NC(=O)C=C)C2)ccc1)=O	711
+C(C(N(C)Cc1c2ccccc2n(C)c1)=O)=C	404
+C(Nc1cc([N+]([O-])=O)ccc1)(C=C)=O	1313
+c1cc(ccc1OCCCCOC(C=C)=O)C(O)=O	2466
+c1cc(ccc1NC(=O)C=C)Sc2nc(ncc2)Cl	1313
+CC(C)(C)OC(N1CCC2(Oc3c(C(C2)=O)cc(cc3)C=CC(=O)OC)CCC1)=O	233
+CC(C)(C)OC(N1CCC2(CC1)Oc3ccc(C=CC(=O)OC)cc3C(C2)=O)=O	233
+CC1(C)C(Cc2c(ccc(F)c2)O1)CCNCCC(=O)OC	1340
+c1(C=CC(=O)OC)ccc2nn(C)c(C)c2c1C(=O)OC	233
+c12c(C(=O)N(C1=O)c3c(cc(Cl)c(CC(C(OC)=O)Cl)c3)F)cccc2	1659
+c1c(F)c(c(cc1C=CC(=O)OC)F)C=O	233
+Nc1c(ccc(F)c1)C=CC(OC)=O	233
+C(C=Cc1ccc(N)cc1C)(OC)=O	233
+O=S(=O)(c1ccc(cc1)C=CC(=O)OC)N(Cc2ccc(cc2)OC)C	233
+C(C=Cc1cc(CO)ccc1)(OC)=O	3998
+c1c(c(c(c(NC(C)=O)c1)[N+](=O)[O-])C(=O)OC)C=CC(=O)OC	233
+c1cc(ccc1C(CC(=O)OC)C(CCC(OC)=O)[N+](=O)[O-])Cl	6971
+c1cc(ccc1C=CC(C(CCC(OC)=O)(c2ccccc2)CC=Cc3ccccc3C)=O)Cl	6972
+c1ncncc1C=CC(=O)OC	6973
+C1(O)c2c(OC1CO)c(Cl)cc(c2)Br	2730
+FC(F)(F)c1cc(N2C(=C(C(=O)OCC=C)C(NC2=O)c3ccc(C#N)cc3S(=O)(=O)C(C)C)C)ccc1	3498
+O(CC=C)P(OCC=C)(OCc1c(cccc1C(=O)O)Cl)=O	6974
+C(Nc1sc(nn1)CC=C)(N(CCC=O)CCl)=O	1110
+n1(c2c(N(CCCC)C(NC2=O)=O)nc1Cl)CC=C	1950
+C=CCn1cnc2c1C(=O)N(C(=O)N2CCCCC)C	6975
+c12n(c(nc1N(C(=O)N(C2=O)C)CCCCC)C=O)CC=C	1378
+O=S1(=O)CCN(CC1)c2c(cccc2F)F	6976
+CC(C)(C)[Si](C)(C)Oc1cc2c(c(Br)c1)[nH]cc2	1660
+Clc1ccc(Br)c2[nH]ccc12	1660
+Clc1ccc2c(nc(C=Cc3cc(C(C=C)O)ccc3)cc2)c1	1184
+c1cccc(c1C(O)C=C)SCC#C	1184
+C=CC(c1cc(cc(Cl)c1O)Br)O	1184
+O=S(=O)(N(C)c1cccc2c1[nH]c(c2)C=3SC(CC(=O)C=C)CN=3)c4cccs4	1152
+c1c(c2[nH]ccc2cc1)CSCC	1654
+Clc1nccc2cc[nH]c12	6977
+c1cc(Br)c(F)c2[nH]ccc12	1654
+c12c(F)ccc(C)c1cc[nH]2	1660
+c1(ncc(Br)c2[nH]ccc12)Br	6978
+c1cc(ccc1OC)COc2c(Br)cc(cc2Br)C(C=C)O	1184
+c1c(F)c(F)cc2c1nc(C=Cc3cccc(C(C=C)O)c3)cc2	1184
+c1(ccc(c2[nH]ccc12)CC)Br	1660
+c1c(c2[nH]ccc2cc1F)CSC	1660
+c1cc(ccc1)C(O)(CCCl)C=C	6979
+c1cc(ccc1-c2oc3c(cc(c(c3)N(c4cc(Cl)c(C(C=C)O)cc4)S(=O)(=O)C)C5CC5)c2C(NC)=O)F	1184
+c1cc(ccc1CC=2C(N(c3n(ncn3)C=2CCC)C4CCC(CC4)OCC(C=C)=O)=O)-c5ccccc5C#N	1152
+c1cc(ccc1Sc2c(C(O)C=C)c(F)ccc2)F	1184
+c1ccccc1COc2c(F)cc(Br)c3[nH]ccc23	1654
+Clc1cccc(c1)C(O)C=C	6980
+c1c2nc(OC)c(nc2c(c(c1Cl)Cl)C=O)OC	6981
+C(NC)(=O)c1[nH]c2c(c1CC)cccc2	1661
+CC(C)(C)OC(C1C(N(C)CC2(CC2)C1)C(Nc3ccc(cc3)OCc4c5c(nc(c4)C)cccc5)=O)=O	1662
+CC(C)(C)OC(N(C(C)C)CCc1ccc(C=O)c(c1)O)=O	491
+CC(C)(C)OC(N1CC(C(O)=O)N(CC1)C)=O	3999
+CC(C)(C)OC(N1CCC(CC1)N(C)CCc2ccc(cc2)Oc3ccccc3)=O	113
+CC(C)(C)OC(=O)N1CCC(CC1)N(C)Cc2ccc(nc2)-c3ccc(cc3)S(=O)(=O)C	113
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3cc(C=O)ccc3ncc2	6982
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(O)c(cc3C(COc23)=O)Cl	1092
+CC(C)(C)OC(N1CCc2c1ccc(C(=O)OC)c2)=O	807
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC	1159
+CC(C)(C)OC(Nc1cc(NC)ccc1)=O	1159
+CC(C)(C)OC(=O)Nc1c2c(ncn1)n(-c3cccc(c3)NC)c(c2-c4ccc(cc4)Cl)Cl	1159
+CC(C)(C)OC(=O)N(C1CCC(CC1)C#CCO)C	6983
+CC(C)(C)OC(=O)N1CC(C1)N(C)C(C)(C)C(=O)N	1662
+CC(C)(C)OC(N1CCC(C(N(C)C)C1)NC(OCc2ccccc2)=O)=O	1001
+CC(C)(C)OC(=O)N1C2C(CN(C2)C)CC1	113
+CC(C)(C)OC(N1CCN(CC1)C(=O)C2N(C)CCCC2)=O	1662
+CC(C)(C)OC(N1CCc2c(CC1)c(Cl)c3N(C)CCCc3c2)=O	1353
+CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C2CCC(CC2)N(C)Cc3ccccc3)C)=O	113
+CC(C)(C)OC(NC(C)(C)Cc1cccc(C(=O)OC)c1)=O	807
+CC(C)(C)OC(=O)NCC(C1CC1)NC	1971
+CC(C)(C)OC(NCc1c(-c2ccccc2)c3cc(C(=O)OC)ccc3nc1CC(C)C)=O	807
+CC(C)(C)OC(Nc1c(cccc1F)NC)=O	1159
+CC(C)(C)OC(Nc1c2c(ncn1)n(-c3ccc(cc3)NC)nc2I)=O	1159
+CC(C)(C)[Si](C)(C)OCCOc1ccc2c(nc(cn2)-c3ccc(cc3)NC)c1	1159
+CC(C)(C)[Si](C)(C)OCCc1ccc(C=O)c(c1)O	491
+CC(C)(C)c1ccc(C(=O)OC)c(c1)Cl	4000
+CC(C)(C)c1cc(cc(C=O)c1O)CCl	915
+CC(C)(C)c1cccc(c1O)C=O	491
+CC(C)(O)C(=O)Nc1cccc2CC(N(C)C)CCc12	1001
+c1ccccc1COC(=O)NC2CCN(C2=O)C3C(CCC)CC(CC3)N(C)C(C)C	2731
+c1ccccc1COC(=O)NC2C(=O)N(CC2)C3C(CS(=O)(=O)C(C)C)CC(CC3)N(C(C)C)C	2731
+c1ccccc1COC(NC2C(=O)N(CC2)C3CCC(N(C(C)C)C)CC3C(CC)O)=O	2731
+CC(C)C1CC(C(C(C=O)=C)C)CCC1	2105
+CC(C)C(=C)C(c1cc2cc(C(=O)O)oc2c(C)c1C)=O	2105
+CC(C)c1cc2c(OCO2)cc1CCl	915
+CC(NCCc1c(CCl)cc2OCOc2c1)=O	915
+CC1(C)CN(C)C(C(O)=O)C1	3999
+CC1(C)CN(CCO)C(C(C)(C)N1C)=O	1662
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N(C)C3CCOCC3	1353
+C1(=O)N(CC)NCN1c2sc(C)nn2	2640
+FC(F)Oc1cnc(C(=O)OCC)cc1	6984
+c1(C)nc2c(NCc3c(C)cccc3CC)cc(cc2n1C)C(=O)OCC	6985
+CN(C)C1C(CN(CC1)C(=O)OCC)C	1001
+CN(C)CCNC(=O)c1c2nc3c(ccc4c(c(ccc34)O)CN(C)C)nc2ccc1	1092
+Clc1cc(cc(Cl)c1N2NC(=C3C(=O)N=C(N=C23)Cc4cc(c(cc4)CN(C)C)O)C(C)C)Cl	1092
+CN(C)Cc1c(nc2c(OCc3c(Cl)cccc3)cccn12)C	2093
+O=S(=O)(c1ccc(s1)S(=O)(=O)CCCc2cc(c(O)cc2)CN(C)C)N	1092
+CN(C)Cc1c[nH]c2c(cccc12)[N+](=O)[O-]	1015
+CN(C)CCC(c1sc(Cl)c(c1)[N+]([O-])=O)=O	1493
+CN(C)Cc1c2c(cnc(Cl)c2[nH]c1)Br	1015
+CN(C)Cc1c[nH]c2cc(ccc12)[N+](=O)[O-]	1015
+CN(C)CCC(=O)c1c2ccccc2[nH]c1-c3c(CC)noc3C	1493
+CN(C)CCC(c1cc(OC)c(OC)cc1)=O	6986
+CN(C)CCC(c1c2ccccc2n(C)c1-c3ccccc3)=O	1493
+c1cc(ccc1)C(=O)c2cc(C(=O)N3CCc4oc(cc4C3)CN(C)C)ccc2	6987
+c1cc(ccc1CC(NCC(O)c2cccc(Cl)c2)C)OCC3=CC(C(O)=C(O3)CN(C)C)=O	6988
+CN(C)CCC1CCCN(C(c2cnc(cc2)NC(c3ccccc3Cl)=O)=O)c4ccc(Cl)cc14	1001
+C1CC(CCC1)N(C2Cc3c(ccc(F)c3OC2)C(OC)=O)CCC	4000
+FC(F)(F)c1cc(ccn1)N2C3=C(C(CC3)=O)C(N(C2=O)C)c4ccc(C#N)cc4C(=O)OC	807
+FC(F)(F)c1cccc(N2C(N(C)C(C=3C(NCCC2=3)=O)c4ccc(C#N)cc4C(=O)OC)=O)c1	807
+N#Cc1c(Cl)cc(cc1)-c2c(n(Cc3ccc(C(OC)=O)nc3)nc2C)C	6989
+Nc1cc(-c2ocnc2)nc(C(=O)OC)c1Cl	6990
+c1(cc(C(=O)OC)c(c(c1)F)C)-c2cc(F)ccc2	807
+CN(C)C1Cc2c(OC)cccc2CC1	1001
+CN(C)c1cc(Nc2ncnc3c2scc3)cc(OC)c1	6991
+c12cc(ccc1cncc2)C(=O)OC	807
+c1cc(ccc1C2(SC(=NC(c3ccc(cc3)F)C)NC2=O)C)C(OC)=O	807
+c1cc(ccc1Cl)CC2C(=O)N(CC3N(CC(N(C)C)C(=O)N23)S(=O)(=O)c4c(Cl)cc(cc4)Cl)C(C)C	6992
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CN(C)C	1001
+c1c(c(c(O)c(c1)C=O)F)OC	491
+C[Si](C)(C)CCOCn1c2c(c3c1cnc(C#N)c3)c(OCC4CCCCN4C)ccn2	113
+ClCc1cc(c(F)cc1OC)F	915
+c1cccc2nn(nc12)-c3c(O)c(cc(C)c3)CCl	915
+c1ccccc1Cc2c3ccccc3ccc2CCl	915
+c1(C=O)ccc(c(c1)CCl)O	915
+C(c1ccc(c(CCl)c1)O)C(=O)O	915
+ClC(Cl)(F)Sc1c2ccccc2n(CO)c1	6993
+O=S(=O)(c1c(Cl)cc(NCc2occc2)c(C(OCCCOC(=O)CCC(OCCl)=O)=O)c1)N	6994
+Clc1ccc(c(c1)O)C2(CO)C(=O)N(c3ccccc23)CC(=O)OC	2732
+Clc1ccc(CCO)c([N+]([O-])=O)c1	4001
+FC(F)(F)C(O)C1=CC(=O)C(O)=C(N1C)CO	6995
+FC(F)(F)C(=O)N1CCc2c(Br)cccc2C1	6996
+FC(F)(F)C(=O)Nc1ccc(cc1Cl)N(Cc2ccc(Cl)s2)C	1353
+FC(F)(F)C1c2cccc3CNCC(N(c23)CC1)C	1603
+FC(F)(F)c1ccccc1CCC2CN(CCN2C)C3=Nc4ccccc4Nc5sc(C)cc35	113
+FC(F)(F)c1cc(ccc1)N2CCN(CC2)Cc3cc(-c4ccc(cc4)Cl)n(-c5ccc(cc5)Cl)c3C	1015
+FC(F)(F)c1c(CN(C2CCN(CC2)c3c4c(c(-c5ccnn5C)nn3)cccc4)C)ccc(F)c1	113
+FC(F)(F)c1ccc(cc1)-c2n(C)c(c(CO)n2)C	4002
+FC(F)(F)c1ccc(cc1)CCC2N(CCN(C2)C3=Nc4ccccc4Nc5sc(C)cc35)C	113
+FC(F)(F)c1ccc(cc1)CN(C)c2cc(C)c(c(C)c2)NC(CC3CCCC3)=O	1353
+FC(F)(F)c1cc(c(O)cc1)C=O	491
+FC(F)(F)c1cc(c(cc1)O)CO	6997
+FC(F)(F)c1ccc(CN2c3cccc(c3C(C2=O)(c4nc(OC)ccc4O)CO)Br)o1	4003
+FC(F)(F)c1ccccc1-c2nc(O)c3c(ccc(N4C(=O)CN(C4)CCO)c3)c2	6998
+FC(F)(F)c1cnc(nc1CCc2ccc(F)cc2CC(=O)N)Nc3ccc(cc3)C4CCN(CC4)C	113
+FC(F)(F)c1c(cn(n1)CO)Br	6999
+FC(F)(F)c1nc(NC(Nc2c3cc(ccc3ncc2)C=4CCN(CC=4)C)=O)ccc1	1960
+FC(F)(F)c1oc(CN2C(C(c3ccccc23)(CO)c4nc5OCOc5cc4O)=O)cc1	4003
+FC(F)Cn1c(CO)ncn1	7000
+FC1(F)C(C2CCN3CCNCc4c3c2ccc4)C1	1603
+Fc1cc2c(Nc3c(C(N4CC(CCOC)N(CC4)C)=N2)ccs3)cc1F	113
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4ccc(cc4)N(C)C)O	1186
+CN(C)c1ccc(cc1)C=2Oc3c(C(=O)C=2)cc(cc3)OC	1186
+c1cc(ccc1C=Cc2ccc(nc2)OCCOCCOCCO)N(C)C	1186
+C1CN(CCC1N2c3c(C=CC2=O)ccc(c3)N(C)C)Cc4ccccc4	1186
+CN(C)c1cccc(OC(C(OC)=O)C)c1C	7001
+CN(C)c1c(C)cccc1Br	2106
+c1cc(ccc1)C(c2c(N(C)C)c(CC(=O)OC)ccc2)=O	2106
+c1cc(ccc1)COc2cc3CCC4C(CCC5(C)C(CCC45)=O)c3cc2N(C)C	2106
+c1ccccc1COc2c(c3CCC4C5CCC(C5(CCC4c3cc2)C)=O)N(C)C	2106
+C(N(C)C1c2c(CCC1)cccn2)c3nc4cccc(F)n4c3	113
+C1C(F)C(c2c3cc([N+]([O-])=O)ccc3[nH]c2)=CCN1C	1960
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)N3CC(C)N(CC3)C)Br	113
+C(=O)c1c(O)cc(OC)cc1OC	491
+C1C(CC(N1C)C(=O)N)O	1662
+c1(c(cc2c(c1)C(=O)C(=CN2CC)C(O)=O)N3CC(N(C)CC3)COCCCCCCCCCCCC)F	113
+O=S(=O)(C(c1cnc(C(NCO)=O)cc1C)c2cc(F)ccc2F)c3ccc(cc3)F	7002
+O=S(=O)(Cc1ccc2c(c1)C3=CN(C(c4[nH]c(C(=O)OCC)c(c34)CN2c5ccc(cc5)Cl)=O)C)C	7003
+O=S(=O)(c1ccccc1)NCC=2OC(=C(C(C=2)=O)O)CO	7004
+c1ccccc1N2CC(=O)N(c3cc(Cl)c(S(=O)(=O)N)cc3)C2	2733
+O=S(=O)(c1cc(C)c(cc1)N2CN(c3ccccc3)CC2=O)N	2733
+O=S(=O)(c1cccc2ccccc12)c3n[nH]c4ccc(OC5CCN(C)C5)cc34	113
+O=S(=O)(n1cc2c3c1cccc3CN(C)CC2)c4ccccc4	113
+c1(ccc(CO)nc1Cl)O	7005
+c1c(I)cc(c(c1)C=O)O	491
+c12cc(cc(c1CNCC2)Br)OC	1603
+CN1CC(N(CC1C)c2ccc([N+]([O-])=O)cc2F)C	113
+O=C(C(=C)CCCl)c1c(Cl)c(Cl)c(OC)cc1	2105
+O=Cc1ccc2CCCc2c1O	491
+C1CN(CCN1Cc2c3c(Cl)cccc3[nH]c2)C(c4c(cccc4)Cl)c5ccc(cc5)Cl	1015
+C1CN(CC1c2nnc3n2cc(cc3)F)C	113
+O=Cc1c(C)cc(C)cc1O	491
+c1c(c(c2CCN(Cc2c1)C=O)C)OC	7006
+c1cc(CCO)c(cc1F)[N+]([O-])=O	4001
+c1c(cc2n(c3c(CCN(C)C3)c2c1)C)Br	113
+Oc1c(cc(F)cc1)C2(C(N(CCCCC)c3ccccc23)=O)CO	2732
+N1(c2ccc([N+]([O-])=O)cc2OCC1)C	1353
+c1ccccc1-c2cccc(c2O)C=O	491
+c1cc(ccc1)-c2[nH]c3c(c2C4CCN(CC4)C)cccc3	113
+c1cc(ccc1)-c2n3CCCN(Cc3c(C(OCC)=O)n2)C	113
+c1ccccc1C(c2ccccc2)N3c4c(C(CO)(C3=O)c5c(O)cc6c(OCO6)c5)cc(cc4)C	2732
+c1ccccc1C(=C)C(CCCCC)=O	7007
+c1ccccc1CCCN(Cc2cccc(-c3ccc(nc3)C#N)c2)C	113
+c1cc(ccc1)COC(=O)NC2CCCCC2CN(C3CCc4cc(ccc4C3)F)C	113
+c1cc(ccc1)S(=O)(=O)Nc2c3c(cn(c3ncc2)C4CN(C4)C)-c5cc6c(CCN6C)cc5F	113
+c1cc(ccc1C(C#N)(C)CO)Br	4004
+c1cc(ccc1C#CC#CCO)C(=O)NC(C(NC)C)C(NO)=O	1971
+c1cc(ccc1C#N)-c2nnn(Cc3cc(C(=O)Nc4sc5CC(CCc5n4)N(CCOC)C)ccc3)c2	113
+c1cc(ccc1C#N)Sc2cc(C=O)c(O)cc2	491
+CC(C)(c1ccc(O)c(c1)C=O)C(OC)=O	491
+c1cc(ccc1N2CC(N(C)CC2)C)C(OC)=O	113
+c1cc(ccc1C)-c2c(cccc2)C(Nc3ccc(cc3)C(N(c4c(cccc4)CN(C)C)C)=O)=O	113
+c1cc(ccc1C(O)C#CCN2CCC(CC2)(c3ccc(cc3)Cl)O)F	1469
+O=S(=O)(c1ccc(cc1)CN(Cc2ncc[nH]2)Cc3nccn3C)NCCCCN(C)C4CCCCC4	113
+c1cc(ccc1Cl)NS(=O)(=O)c2ccc(OC)c3CC(N(C)C)COc23	113
+c1cc(ccc1Cl)OC=2C=CC(N(N=2)CO)=O	7008
+c1cc(ccc1Cn2c3ccccc3c4C(C(=C)CCc24)=O)C(OC)=O	2105
+c1cc(ccc1F)-c2[nH]c(nc2CO)CCCC	4002
+c1cc(ccc1F)C(C#N)(CO)CCCCC	4004
+O=C(OCC)C(C(=O)OCC)(C)c1ccc(cc1)N2CCN(CC2)C	113
+O=S(=O)(c1cc(Cl)c(N2CN(CC2=O)c3ccc(cc3)Cl)cc1)N	2733
+c1cc(c(C=O)cc1C2CCOC2=O)O	491
+c1cc(ccc1[N+](=O)[O-])N2CCC3C2CCN3C	113
+c1cc(ncc1Br)C(C2CN(CC2)C)=O	113
+N1Cc2ccc(OCC)cc2CC1	1603
+c1cc(ccc1)C(=O)c2cc(Br)ccc2-n3ccnc3CO	7009
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CC(CCOC)N(CC4)C	113
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCNC(CCCCCN(CCNC(=O)OC(C)(C)C)C)=O	113
+c1ccccc1C=2c3c(-n4c(CCO)nnc4CN=2)ccc(F)c3	7010
+c1cc(ccc1)CN(CCCCCCCCCCCC)C	113
+C1CC(CCN1C)c2c(OC)cc(NC(OCc3ccccc3)=O)cc2	113
+CN(C)Cc1cccc(c1)CCNC2=NC(=C(N(C2=O)CC(OCc3ccccc3)=O)C)Cl	7011
+c1ccccc1COC(N2C(CN(CC2)C)C(N(C)OC)=O)=O	113
+c1ccccc1COC(NC2CCN(C3CCC(N(Cc4ccc(cc4)OC)C)CC3NC(C)=O)C2=O)=O	113
+c1ccccc1COC(NC2CCN(C3C(NC(C)=O)CC(CC3)N(C(C)C)C)C2=O)=O	113
+C1CCCN(c2oc3c(C)cc(C)cc3n2)CCN1C	113
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)OC	1187
+CC(C)(C)OC(=O)NC1(C(OC)=O)CCCC1OCc2ccccc2	1187
+CC(C)(C)OC(=O)N1CCC2(CC2)CC1C(=O)OC	7012
+CC1(C)c2cc(cc(C3CC3)c2OC4(CC4)C1)Br	3365
+FC(F)(F)C1CCC(CC1)C(CCl)=O	7013
+c1cc(ccc1)COC(n2c3ccccc3c(CC(CCl)=O)c2)=O	7014
+FC(F)(F)C(C(OC)=O)(C)O	1187
+O=S(=O)(c1c(cc(c(C(OC)=O)c1)OCC)OC)Cl	1343
+Clc1cc(cc(C)c1C(=O)OC)Br	1343
+c1(c(Cl)c(Cl)nc(n1)-c2c(c(OC)c(Cl)cc2)F)C(=O)OC	1343
+c1cc(cc(c1OC)F)C2C(CC(OC)=O)C2	1187
+c1cc(ccc1)COc2cc(F)cc(c2)C(C(=O)OC)(CC)O	1187
+c1cc(ccc1[N+]([O-])=O)CC(C(=O)OC)NC(C)=O	1187
+c1cc(ccc1F)C(=O)c2c(nccc2)C(=O)OC	1343
+O=C1c2c(C(=O)N1C(CC(C=[N+]=[N-])=O)(C(OC)=O)CF)cccc2	7015
+c1ccccc1C(C(=O)OC)C2CCN(CC2)C(OCc3ccccc3)=O	1187
+c1(c2c(NC(=C(C(=O)C)C2c3ccc(cc3CC)C#N)C)ccn1)O	7016
+O=S(=O)(Oc1c(cc(c(-n2c(c(c(C)n2)C)C)c1)F)Cl)C	7017
+c1cc(ccc1Cl)Nc2nc(-n3c(C)c(C)c(n3)C)nc4n(C)cnc24	7018
+FC(F)(F)c1ccc(cc1)Nc2nc(-n3nc(cc3C)C)nc4n(cnc24)C	2723
+c1(nc2c(c(C)c1)C(N(C(=O)N2C)CCCCC(OC(C)=O)C)=O)C	7019
+CC(=O)C(C(C)=O)=Cc1ccc(C#N)cc1CC	7020
+O=S(=O)(C)Oc1c(Cl)cc(F)c(-n2nc(cc2C)C)c1	2734
+S=C1NN2C(=CC(C)=NC2=N1)C	7021
+c1(C)nc2c(ccc(n2)N)c(C)c1	7022
+c1ccccc1-c2c3c(nc(C)c2C(C)=O)sc4c3cccc4	7023
+c1ccccc1-c2sc3nc(c(C(=O)C)c(-c4ccccc4)c3c2)C	4005
+c1cc(ccc1)Nc2c(c3c(cc2C(=O)OC)[nH]c(n3)C)F	7024
+c1cc(ccc1Br)CCC(=O)C	7025
+c1cc(ccc1-n2nc(cc2C)C)Br	2734
+c1cc(ccc1Cl)Nc2c3c(n(cn3)CCOCC)nc(-n4c(cc(n4)C)C)n2	2723
+c1cc(ccc1F)-c2c(C(C)=O)c(C)nc3ccc(Br)cc23	7026
+CC(=O)CCCCCCCC(=O)OC	27
+C(CCC(O)C)CCCCC(OC)=O	100
+CC(=O)N1Cc2ccccc2S(CC1)=O	357
+CC(C)(C)OC(=O)N(C(C)Cc1cc2CCN(C(=O)C)c2c(C#N)c1)CCOc3c(cccc3)OCC	23
+C(CCC(C)NCC)CCC	15
+c1c(cc(c(c1)C(=O)NNC(CNC(C)=O)=O)OC)Br	708
+c1cc(ccc1C=2C=CC(N(N=2)Cc3cc(NC(OCC)=O)ccc3)=O)CNC(CNC(C)=O)=O	9
+c1(C=O)cc2c(occ2CCNC(C)=O)cc1	674
+O=C(c1cc(c(c2c1OCO2)NC(C)=O)Cl)O	1
+c1cc(ccc1OC(C(O)CCc2cnccc2)C)-c3c(C)cc(cc3)NC(=O)C	11
+c1cc(ccc1)C2(NC(N(CC(=O)c3ccc(NC(C)=O)cc3F)C2=O)=O)CCC	7027
+c1(cc(c(O)cc1NC(C)=O)C(=O)O)[N+]([O-])=O	31
+C(C)OC(c1c(ccc(c1)NC(C)=O)Br)=O	47
+c1(NC(C)=O)c(c(c(cc1)Br)C(=O)O)[N+]([O-])=O	31
+c1cc(ccc1C)C(c2c(C)c3c(cc(cc3)NC(C)=O)o2)=O	7028
+c1(cc(NC(C)=O)ccc1OC)C(=O)C	65
+c12c(cc(C(=O)O)cc1)ncn2-c3cc(ccc3)NC(C)=O	7029
+C(SCc1cccc(NC(C)=O)c1)C	639
+C(OC(COc1cccc(NC(C)=O)c1)=O)C	52
+CC(C)(C)OC(=O)NNC(OCCc1ccc(cc1)NC(=O)c2csc(NC(C)=O)n2)=O	2015
+CC(C)(C)C(C)NC=1C(=O)C(=O)C=1N(c2ccc(cc2CC)C#N)C(=O)C	7030
+CC(C)(C)C(=O)Nc1ccc(Cl)cc1C2Cc3c(cccc3)N2C(=O)C	808
+CC(C)(C)CCC(=O)N1CCN(CC1)c2nccc(-c3noc(C)n3)c2	4006
+CC(C)(C)CCNC(Nc1c(F)cc(C)c(-c2c(nc3nc(NC(C)=O)ncc3c2)C)c1)=O	4007
+CC(C)(C)OC(=O)C1N(CCCCC1COC(C)=O)S(=O)(=O)c2ccc(cc2)OC	152
+CC(C)(C)OC(=O)COc1c(C(OC)=O)sc2c1cc(cn2)NC(C)=O	2107
+CC(C)(C)OC(N1CC(N(C2CCC(C)(C)CC2)C(C)=O)CC1C(OC)=O)=O	319
+c1cc(ccc1C)CC2(CO)CN(CCC2)C(=O)C	1663
+CC(C)(C)OC(=O)N1CCC(CC1)CN(Cc2ccc(cc2)Cl)C(C)=O	319
+C1CN(CCN1C(=O)C)c2ccc(nc2)CCc3ccc(cc3)CO	1663
+CC(C)(C)OC(=O)N1Cc2c(CC1)c(C#N)c(NC(C)=O)s2	2735
+CC(C)(C)OC(NC(CC)(COC(C)=O)CCc1ccc(cc1)OCc2ccccc2)=O	152
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2csc(NC(C)=O)n2	1973
+CC(C)(C)OC(=O)N1CCC(CC1)(NC(=O)C)Cc2ccccc2C	206
+CC(C)(C)OC(=O)NC1(C(OC(=O)C)CCC1)CNc2c(c(c(cc2)C#N)Cl)C	152
+CC(C)(C)OC(NCCC1CCC(CC1)COC(C)=O)=O	152
+C1CC(CCN1C(c2cc3c(cc2)n(cc3)CCNC(=O)C)=O)Oc4ccc(cc4)Cl	1663
+CC(C)(C)OC(Nc1cc(Cl)c(c(Cl)c1)OCCOC(=O)C)=O	152
+CC(C)(C)[Si](C)(C)OCC1CC(CC1OC(=O)C)n2ccc3c(ncnc23)NC4c5ccccc5CC4	152
+CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(N)ncnc23)C(C1)OC(C)=O	152
+CC(C)(C)c1cc(cc(C(C)(C)C)c1OC(C)=O)OC	225
+CC(C)(C)c1cc2c(C(=O)N(c3nccc(Cl)c3COC(C)=O)N=C2)c(F)c1	152
+CC(C)(F)Cn1c(nc2cnc3cccnc3c12)COC(C)=O	152
+CC(C)(O)Cn1c(nc2cnc3c(ccc(OCc4ccccc4)c3)c12)COC(C)=O	152
+CC(C)(Cc1c2c([nH]c1)cc(cc2)C)NC(=O)C	206
+CC(C)(O)c1ccc2c(CCN(C2=O)c3cccc(Br)c3COC(=O)C)c1	152
+CC(C)C(NC(=O)C1N(CCCC1)C)C(=O)N(C(C(C)C)CC(OC(=O)C)c2nc(C(O)=O)cs2)CCC	152
+CC(C)CC1(COc2ccc(cc2)[N+](=O)[O-])Oc3c(c(C)c(OC(C)=O)c(C)c3C(=O)C1)C	225
+O1CCOC1c2ccc(cc2)Oc3cc4cnn(c4cc3)C(=O)C	7031
+CC(C)Cn1c(nc2c1c3c(cccc3)nc2N)CNC(C)=O	206
+CC(C)N(c1c(C(=O)OC)sc(-c2ccccc2)c1)C(C3CCC(CC3NC(=O)C)C)=O	7032
+CC(C)N1C(=O)C(CC)(CC)c2cc(NC(C)=O)ccc12	125
+CC(C)Oc1cc(c2c(c(OC(=O)C)[n+]([O-])cc2)c1C)Br	7033
+CC1(C)C(C)(C)OB(O1)c2ccc3c4cnn(C(=O)C)c4ncc3c2	7034
+CC1(C)C(OC(=O)C)CCC2(C1CCC3(C2CCC4C5C(CCC34C)(C(=O)O)CCC5C(C)=C)C)C	152
+CC1(C)CCC(c2c1ccc(c2)Br)(CC(=O)OCC)OC(C)=O	152
+CC1(C)c2ccc(Br)cc2C(=O)CC1	7035
+CC1(C)CN(c2ccc(cc12)Br)C(C)=O	808
+CC1(C)Cc2c(c(OC(C)=O)ccc2)O1	225
+CC1(C)CCCc2cc(C(C)OC(C)=O)c(c(Br)c12)OC	152
+O(C(=O)C)c1c2c(c(C#N)nc1C(=O)OCC)n(cc2)Cc3ccc(F)c(F)c3	4008
+c1ccccc1C(=C2c3cc(C(CCC)=O)ccc3N(C(C)=O)C2=O)OCC	7036
+C(C)OC(=O)c1cnc(s1)NC(C)=O	1973
+CN(C)CC1Cc2c(NC1)cc(cc2)NC(=O)C	125
+C(c1c(C(=O)O)[nH]c2cc(c(OC)cc12)F)CNC(C)=O	206
+COc1c(NC(C)=O)c(cc(c1)Br)[N+]([O-])=O	125
+COc1cccc(CCNC(C)=O)c1	206
+Cc1c(ccc([N+]([O-])=O)n1)OC(C)=O	4008
+Cc1cc(cc(C)c1OC)NC(=O)C	125
+Clc1cc(OC(C)=O)ccc1C	225
+Clc1cc(NC(C)=O)cc(C)c1	125
+Clc1cc(F)c(NC(C)=O)cc1	125
+Clc1cc(ccc1)Nc2nccc(-c3cccnc3NCCCNC(C)=O)n2	206
+Clc1cc2CC(=O)N(C(=O)C)c2cc1	1948
+Clc1ccc(OC(C)=O)c(Cc2ccc(C(=O)O)o2)c1	225
+FC(F)(F)C(N(C1c2c(c(ccc2)-n3c4c(ccc(c4)F)nc3C)CC1)c5cc6OCC(CC(OC)=O)c6cc5)=O	7037
+FC(F)(F)Oc1cc2c([NH+]([O-])C(C=C2)=O)cc1	4009
+FC(F)(F)c1cc(cc(COC(=O)C)[n+]1[O-])CC	983
+FC(F)(F)c1[n+]([O-])c(c(CN2C(=O)N3C(C(c4ccncc4)=C(c5ccc(cc5)Cl)C=C3)=N2)cc1)COC(C)=O	983
+FC(F)(F)c1c(O)cc2c(N(CC2)C(C)=O)c1	808
+FC(F)(F)c1c(F)c(F)c(c(F)c1F)-n2nccc2NC(C)=O	533
+FC(F)(F)c1cc(ccc1NC(=O)C)Cl	125
+FC(F)(F)c1cc2ncn(-c3ccccc3)c2c(-c4cc(ccc4)NC(C)=O)c1	125
+FC(F)(F)c1cc(F)ccc1NC(=O)C	125
+FC(F)(F)c1cc(ccc1)N2C(=C(c3noc(C)n3)C=C(C(=O)NCc4ccc(cc4)S(=O)(=O)C)C2=O)C	7038
+FC(F)(F)c1cc(c(c(Cl)c1)-n2c(NC(=O)C)ccn2)F	533
+FC(F)(F)c1cc(NC(=O)C)cc(Br)c1	125
+FC(F)(F)c1ccc(cc1)C2C=CC=[N+]([O-])C2=O	4010
+FC(F)(F)c1ccc(cc1)CCNC(C)=O	206
+FC(F)(F)c1cccc(c1C)Cc2c3nc(cc(NC(C)=O)n3nc2C)N4CCOCC4	533
+FC(F)(F)c1cccc2c1nc(C(CC)NC(C)=O)c(C(Nc3nccs3)=O)c2O	206
+c1(-c2noc(n2)C)cc(C(=O)O)ccc1	4006
+N(C)C(COc1cc(C#N)ccc1CNC(=O)c2cc(NC(C)=O)c(c(Cl)c2)F)=O	125
+c1(C)c(cc(cc1)F)NC(C)=O	125
+c12c(ncnc1cc(c([N+]([O-])=O)c2)NC(C)=O)O	125
+CC(=O)Nc1cc(O)c(cc1)C(=O)O	125
+[N+](c1cc(cc(Br)c1)NC(C)=O)([O-])=O	125
+c1c(NC(C)=O)ccc(C)c1Cl	125
+c1(c(CC)c(ccc1NC(C)=O)Br)C	125
+[nH]1nc(cc1)NC(=O)C	533
+Brc1ccnc(NC(=O)C)c1	533
+O(C)c1c(c(c(OC)c(OC)c1OC)C)Cc2cccc(c2OC(C)=O)C(=O)O	225
+c1cc2ccc(OCOC)c(C#N)c2nc1COC(=O)C	152
+O1CCOC1(CCOc2c(C)c([n+](cc2)[O-])COC(C)=O)CCC	983
+O1CCc2c3n(ncc3CCNC(=O)C)ccc12	206
+Clc1cccc(CCC(=O)C(C(OCC)=O)NC(C)=O)c1	7039
+O=C(c1ccc(c(Cl)c1)Cl)NC2c3c(CCC2OC(=O)C)ccc([N+]([O-])=O)c3	152
+O=Cc1c(OC(=O)C)cc2CCC3C4CCC(=O)C4(CCC3c2c1)C	225
+O=S(=O)(c1nc2CCN(C(C)=O)Cc2c(n1)-c3c(Cl)cc(Cl)cc3)C	319
+O=S(=O)(c1ccc(cc1)C)n2cc(C(C)=O)cc2	7040
+C1(CCCC(=O)Nc2c1cccc2)OC(=O)C	152
+c1(c2c(cccc2)c(N)cc1[N+](=O)[O-])CCOC(=O)C	152
+Oc1c2c(nc(-c3cc(ccc3)OC(=O)C)n1)cccc2	225
+C(=O)(C)Sc1c(cccc1C)C(=O)O	7041
+n1(ccnc1)-c2cc([N+]([O-])=O)c(NC(C)=O)c(C)c2	4011
+CC(Nc1c(ccc2CCCCc12)[N+]([O-])=O)=O	4011
+c1(-c2nc3c(c(n2)O)cc(OC(C)=O)c(OC)c3)cc([N+]([O-])=O)ccc1	225
+c1(OC(C)=O)cc(C)cc(c1C)C(=O)O	225
+c1(I)c(F)cc(NC(C)=O)c(C)c1	125
+c1(C)c(NNC(=O)C)ncc(c1)[N+](=O)[O-]	7042
+c1(C)c(F)ccc(NC(C)=O)c1	125
+c1(C)cc(NC(=O)C)ncc1[N+](=O)[O-]	533
+Cc1cc(cc(C)c1)NC(=O)C	125
+Cc1cc(cc(C)c1-n2c(NC(=O)C)c(C#N)c(C)c2)C	533
+c1(CCNC(=O)C)cc(C)cs1	206
+C(C)(c1cc2c(c(c(Cl)c(OC)c2)Cl)s1)=O	7043
+c1(Cl)cncc(Cl)c1CSc2nc(cc(C)n2)NC(C)=O	533
+c1(F)cc(cc(F)c1-c2cnccc2)N3C(OC(CNC(=O)C)C3)=O	206
+c1ccc(NC(=O)C)cc1-c2ccnc(n2)NCCc3ccc(c(OC)c3)OC	125
+s1c2c(nc1C=CC=Cc3ccc(nc3)NC(=O)C)cc(c(OC)c2)OC	533
+c1c(c(c2cc(C(=O)OC)[nH]c2c1)OC(C)=O)OC	225
+O(C(C)=O)c1cc([N+]([O-])=O)ccc1C	225
+O(C(C)=O)CCc1cccc([N+]([O-])=O)c1	152
+c1([n+](c(ccc1)Cl)[O-])COC(C)=O	983
+c1(c(F)ccc(c1)NC(C)=O)[N+]([O-])=O	125
+CCCOC=1C=C[NH+]([O-])C(C=1C)=O	7044
+C(c1cn(c2ccc([N+]([O-])=O)cc12)C(=O)C)c3c(cc(C(=O)O)cc3)OC	7045
+CCN(c1cc(Cl)c(F)cc1)C(C)=O	808
+c1c(C)c(c(cc1OC(=O)C)C)Br	225
+c1(cc(ccc1)Nc2c3c(cc(NC(C)=O)nc3)ncn2)Br	533
+c12c3c(C(N(C(=O)c3cc(C(O)=O)c1)CCCC(O)=O)=O)cc(NC(=O)C)c2	125
+COc1cc2C(N(C3=CC4=CCC([N+]([O-])=C4C=C3)=O)Cc2cc1)=O	7046
+n1(-c2cc3CC(C#N)Cc3cc2)c(C)nc4cnccc14	4012
+c1(ccsc1CNC(=O)C)C	206
+c1(ccsc1COC(=O)C)C	152
+N(c1ncc2cc(c(OC)cc2n1)Br)C(C)=O	4007
+c1-2[nH]c3ccccc3c1Cc4cc(ccc-24)N(C(=O)C)CC	808
+c12c(CCC1)cccc2NC(C)=O	125
+CC(N1CCc2c(cccc2Cl)CC1)=O	319
+c12c(-c3c(cccc3)C1)ccc(CCC(OC(=O)C)C)c2	152
+c1cc(ccc1C(NC2Cc3ccc(C(C)=O)cc3C2)=O)F	2109
+c12c(ccc(N)c1OC)CCC2=CCNC(C)=O	7047
+c12c(cccc1)C(=O)N(C2=O)CCCCC(OC(=O)C)c3ccccc3	152
+c12c(CCN(C1)C(=O)C)cccc2Cl	319
+O(c1c(OC)cc2c(c(ncn2)O)c1)C(C)=O	225
+c1[nH]c2c(c1CCNC(C)=O)cc([N+]([O-])=O)cc2	206
+c1[nH]c2c(ccc(C)c2)c1CNC(C)=O	206
+c1c(C)c(c(cc1-c2nc3ccc(cc3c(O)n2)NC(C)=O)C)O	125
+c1c(Cl)c2ccc(cc2c(c1Cl)N)OC(=O)C	225
+c1c(I)cc(Cl)c(NC(C)=O)c1	125
+c1(cc(ccc1)NC(C)=O)-c2nnc(O)cc2	125
+CC(=O)Nc1cccc(c1)-c2sc(nc2C(=O)OC)C	125
+c1cc(cc(OC(C)=O)c1OC)C(=O)O	225
+c1c(OC)cc(cc1NC(NC(CCN2CC(C2)Oc3ccc(cc3)Cl)COC(=O)C)=O)OC	152
+c1c([N+]([O-])=O)cc([N+]([O-])=O)c(Sc2ccccc2NC(C)=O)c1	125
+c1c([N+]([O-])=O)cc(cc1NC(C)=O)[N+]([O-])=O	125
+C(C)OC(c1cc2CCCCC(OC(C)=O)c2[n+]([O-])c1C)=O	4013
+c1(c(c(c2c(OC(c3cc(F)c(cc3)NC(C)=O)=CC2=O)c1F)N)F)C	125
+c1cc(cc(c1OC(C)=O)OC)CC=C	225
+c1c(ccc2c1CC(=O)N2C(=O)C)C(=O)C	1948
+CC(=O)N1CCSc2ccccc2C1	319
+CC(n1c2ccc(cc2c3c1cccc3)Br)=O	4014
+c1c2nc(cc(Cl)c2ccc1OC)COC(C)=O	152
+C1(c2[n+](cccc2CCCC1)[O-])OC(C)=O	4013
+Clc1cc(c(C2=CC=[N+](C(C2)=O)[O-])cc1)OC	7048
+c1cc(ccc1C=2C=C[NH+]([O-])C(=O)C=2)Cl	7049
+O(C=1C=C[NH+]([O-])C(C=1)=O)C	4015
+c1(cccc2CCCCCc12)NC(C)=O	125
+c1cc(ccc1)-c2c(cc(cc2)-c3nc4cc(c(OC(C)=O)cc4c(O)n3)OC)F	225
+C1=CC(C=CC1)(c2ccccc2)CC(C)N(C(C)=O)CC	319
+c1ccccc1C23CC2CN(C3)C(C)=O	319
+c1cc(ccc1)C=2CCN(C(C)=O)CC=2CO	7050
+c1ccccc1C2CCCCC2OC(=O)C	152
+c1ccccc1CC(C)NC(=O)C	206
+c1cc(ccc1)CCC(NC(C(=O)C)CC(=O)OC)=O	7051
+c1cc(ccc1)CN2CC(CCOC(C)=O)OCC2	152
+c1cc(ccc1)CN2CC(N(CC2)C(=O)C)C	319
+FC(F)OCC(C(=O)NCc1ccccc1)NC(=O)C	4016
+c1cc(ccc1)N2N3CCCC3=C(C2=O)C(=O)Nc4ccc(cn4)Oc5ccnc(NC(=O)C)c5	533
+c1ccccc1N(C(C)=O)c2ccnc3ccccc23	7052
+c1cc(ccc1C(=O)C)OC(C)C(=O)OC	2109
+c1cc(ccc1)S(=O)(=O)N2CCc3cc(C(=O)C)ccc23	2109
+c1cc(ccc1OCCC2CCCCN2C(C)=O)-c3[nH]c4cc(ccc4n3)C(N)=O	319
+c1cc(ccc1C(=O)OC)C2C=CC=[N+]([O-])C2=O	4010
+c1cc(ccc1-c2cc(n(n2)CC(OCC)=O)NC(C)=O)F	533
+c1cc(ccc1-c2c(C(C)=O)c3cccc(Cl)n3n2)F	2108
+c1cc(ccc1Br)C2=C(C)Oc3c(C2=O)cc(c(O)c3)Cl	7053
+c1cc(ccc1Br)CN(c2ccc(cc2)NC(=O)C)n3cnnc3	125
+c1cc(ccc1C#N)-n2c3cc(C)nc(C)c3nc2C	4012
+c1cc(ccc1C(NC(Cc2cc(Br)ccc2)C(C)=O)=O)C	4017
+c1cc(ccc1NC(=O)C)C(C)C	125
+c1cc(ccc1Br)C(C)NC(C)=O	206
+c1cc(ccc1OC)C(=O)NC(C(=O)C)CC=C	4017
+c1cc(ccc1-c2ccccc2NC(C)=O)C	125
+c1cc(ccc1C=2c3c(CC(NN=2)=O)cc4OCOc4c3)NC(C)=O	125
+c1cc(ccc1OC(=O)C)C=C(C)C(O)=O	225
+c1cc(ccc1C=CC(=O)OCC)-c2nc(NC(C)=O)sc2	1973
+c1cc(ccc1OC(=O)C)C=O	225
+c1cc(ccc1C=O)Oc2cc(c(Nc3snc(C4CCN(CC4)C(C)=O)n3)nc2)Sc5ccccc5Cl	319
+c1cc(ccc1CC(C(=O)O)NC(C)=O)[N+]([O-])=O	3466
+c1cc(ccc1CC(C)NC(=O)C)Br	206
+c1cc(ccc1OC(=O)C)Cc2ccc(nc2)C(O)=O	225
+c1cc(ccc1F)-c2c3cc(C(=O)O)ccc3n(C(=O)C)n2	7054
+c1cc(ccc1-c2c(C(C)=O)c3ccnc(SC)n3n2)F	2108
+c1cc(ccc1F)C(=O)C2CCN(CC2)CCCCN3C(=O)c4c(NC3=O)cc(cc4)NC(=O)C	125
+c1cc(ccc1F)COC2=CC([NH+](C=C2)[O-])=O	4015
+c1cc(ccc1F)Cc2cnc3c(c2)N(C(C(C(=O)NCCOCC)=C3O)=O)CCNC(C)=O	206
+c1cc(ccc1I)C(=NOC(C)=O)N	7055
+CN(C)Cc1c2C(=O)N(C(N(Cc3c(F)cccc3F)c2nn1-c4ccc(cc4)NC(=O)C)=O)c5cccc(c5F)OC	125
+CC(C)(CC)c1ccc(cc1)NC(=O)C	125
+c1cc(ccc1NC(=O)C)CCCC	125
+c1cc(ccc1NC(=O)C)I	125
+c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl	125
+C1COCCN1c2ccc(cc2)NC(=O)C	125
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(N3CCCC(c4c3cccc4)COC(C)=O)=O	152
+c1cc(ccc1NC(=O)c2[nH]ncc2NC(=O)C)F	7056
+c1cc(ccc1C(C)C)N(Cc2ccc3c(c2)cc(C(O)=O)c(O)c3)C(C)=O	808
+c1cc(ccc1CC2=Nc3c(N(c4cccc(c4)-c5ccccc5)C2=O)nccc3)OC(=O)C	225
+c1cc(ccc1OCC2(CCc3c(C)c(OC(C)=O)c(c(C)c3O2)C)C)[N+](=O)[O-]	225
+c1cc(ccc1OCCCCCCCC)C2=CC=C(C([NH+]2[O-])=O)CCCCCCCC	7057
+c1cc(ccc1C=O)OCCCCCCCCCCCCOC(C)=O	152
+c1cc(ccc1F)-c2sc(cc2-c3ccc(cc3)S(=O)(=O)C)NC(C)=O	2735
+c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3C(Br)(C(c4nc5n(CCN(Cc6ccccc6)C5)c4)OC(=O)C)C(N23)=O)=O	7058
+c1cc(ccc1[N+](=O)[O-])COC(C=2N3C(C(C(OC(C)=O)c4c5C6CC(CC6)c5n(C)n4)(Br)C3SC=2)=O)=O	4018
+c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3N2C(C3(Br)C(c4cc5COCCn5n4)OC(C)=O)=O)=O	4018
+c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F	125
+c1cc(ccn1)-c2c(c3cccc(Cl)n3n2)C(C)=O	2108
+C(C)(=O)NCc1cc(ccc1)-c2ccc3[nH]c4c(ccnc4C)c3c2	206
+c12ccccc1C(OC(=N2)C)=O	7059
+c1ccc2C(=O)C(C(=O)c2c1)=NNC(=O)Nc3c(cccc3)OC(C)=O	225
+c1c2CCN(CCc2ccc1)C(C)=O	319
+s1c2c(cccc2)c(NC(C)=O)c1C(O)=O	7060
+c1cc2c(cc1)c3c(cccc3)n2C(=O)C	4014
+c1c2CC(Cc2ccc1)NC(C)=O	206
+c1ccccc1-c2cc(NC(C)=O)n(n2)CC(OCC)=O	533
+c1cc(ccc1Nc2ncnc(c2)-c3ccccc3)CC(C(O)CCl)NC(C)=O	206
+c1ccccc1C(=O)c2c(OC(=O)C)cc3c(CCC3C(OC)=O)c2	225
+c1ccccc1C(=O)c2cc3c(C(C(=O)O)CC3)cc2OC(=O)C	225
+c1cc(ccc1)C(OC(C)=O)C(C)[N+]([O-])=O	152
+c1cc(ccc1)C(c2c(NC(C)=O)sc3CCCCc23)=O	2735
+c1cc(ccc1)C2(CCN(CC2)C(=O)C)CNC(=O)c3ccccc3OC	319
+c1ccccc1C2=CN(C(C)=O)C(C(C)C)C(N2CC(=O)NC(C(C#N)OC(C)=O)Cc3ccccc3)=O	152
+c1ccccc1C=Nc2ccc(OC(C)=O)c(c2)C(=O)OCC	225
+c1ccccc1CC(C(CC(CCC(C)(C)F)C(=O)N)OC(C)=O)NC(=O)c2nc3c(nc2)cccc3	152
+c1ccccc1CN2CCC(CC2)NC(=O)C	206
+c1ccccc1COC(N2CCCC2(C(=O)NC(C(OC)=O)C(OC(C)=O)C)Cc3ccccc3)=O	152
+c1ccccc1COC(=O)Nc2ccc(cc2O)NC(=O)C	125
+c1ccccc1COC(=O)C2CN(CCO2)C(C)=O	319
+c1ccccc1COC(N2c3c(cc(cc3)N4CC(CNC(=O)C)OC4=O)CCCC2)=O	206
+c1ccccc1COC(=O)NC(C(C)C)C(C(O)=O)OC(=O)C	7061
+c1ccccc1COC(NC(C(=O)OC)CNC(=O)C)=O	206
+c1ccccc1COC2CC(OC2COC(C)=O)N3C=C(C(NC3=O)=O)F	152
+c1ccccc1COCCCC(C)(C)COS(=O)(=O)CCCNC(C)=O	206
+c1ccccc1COCCOc2c(CN(C(C)=O)c3cc(F)ccc3Oc4ccccc4)cc(cc2)OC	808
+c1ccccc1COc2c3ccccc3c(CCOC(=O)C)c([N+]([O-])=O)c2	152
+c1ccccc1COc2c(OC)cc(c(NC(C)=O)c2)Br	125
+c1ccccc1COc2cccc([N+](=O)[O-])c2NC(C)=O	125
+c1ccccc1CSc2c(cc(cn2)NC(C)=O)C(C)C	2107
+c1ccccc1NC(=O)Nc2ccc(cc2)Oc3ncnc(c3)NC(=O)C	533
+c1ccccc1Nc2ccnc3[nH]c4CCN(C(C)=O)Cc4c23	319
+c1ccccc1Oc2c(NC(=O)C)cc(Cl)cc2	125
+c1cc(ccc1)Oc2c(cc(F)cc2)N(Cc3cc(OC)ccc3OCCOC4OCCCC4)C(=O)C	808
+c1ccccc1Oc2cc(C(C#N)COC(=O)C)ccc2	152
+c1ccn(c1)-c2cc([N+]([O-])=O)cc(NC(=O)C)c2	125
+c1ccn(c1)-c2cc(C(OC)=O)cc(COC(=O)C)c2	152
+c1n(c(nc1)Sc2ccc(cc2Cl)Nc3c4ccc(cc4ncc3C#N)C=CCOC(C)=O)C	7062
+c1n2nc(ccc2nc1NC(C)=O)Cl	7063
+c1(OC)c2c(c(cc1)OC)nccc2NC(=O)C	125
+c1c(-n2ccnc2)cccc1NC(C)=O	125
+n1(c(cc(C)n1)C)-c2nc(cc(NC(C)=O)n2)Cl	533
+N1(Cc2c(CC1)[nH]nc2Nc3cccc(c3)C(=O)OC)C(=O)C	319
+n1n(c2c(c1I)cc(NC(=O)C)cn2)C	2107
+C(CCCCCCCCCCCCO)CCCCOC(C)=O	168
+CC(c1cc(cc(c1)Cl)C(=O)OC)=O	1030
+c1cc(ccc1)C(=O)Nc2cc(-c3cc(ccc3)C(=O)C)ccn2	3780
+FC(F)(F)c1ccc(c(N2CCCC2)n1)CNC(C(C)c3ccc(C#N)c(C)c3)=O	9
+Clc1cn(nc1)-c2ccc(cc2Cl)C(C)C(=O)O	1188
+FC(F)(F)c1ccc(c(-c2cccc(c2)C)n1)CNC(=O)C(C)c3ccc(C#N)c(Cl)c3	9
+CC(C(=O)O)c1cc2oc(N)nc2cc1	7064
+FC(F)(F)c1ccc(Oc2cc(ccc2)C(C(=O)O)C)c(c1)C=O	46
+CC(c1ccc([N+]([O-])=O)c(F)c1)C(OC)=O	27
+FC(F)(F)c1nc(c(CNC(C(c2ccc(nc2)C#N)C)=O)cc1)N3CCC(CC3)C	9
+C(N)(C(C)c1ccc2N(C(Sc2c1)=O)COC)=O	83
+CC(C(NNc1nnc(cc1)C(=O)OC)=O)c2ccc3ncccc3c2	355
+CC(C(=O)O)c1cc(ccc1)O	5
+FC(F)(F)c1ccc(cc1)C=C(c2ccc(cc2)OCCCCCCCCOC(C(C)=C)=O)C#N	7065
+c1ccccc1COC(NC(C(N)C)C)=O	101
+CC(c1nnc2n1nc(cc2)C(=O)OC)c3ccc4ncccc4c3	2736
+C1CN(CCN1Cc2ccccc2)C(=O)C(c3c(F)cccc3)C	10
+FC(F)(F)C(C(c1c(ccc(OC)c1)Cl)C)(O)c2ccc3c(N(C)C(=O)CO3)c2	1379
+CC1(C)Oc2c(cccc2)NC1=O	7066
+CC1(C)CC(CC(C)(C)N1)Nc2nc(ccn2)-c3ccc(cc3)C#CC(C)(C)N	197
+CC1(C)CC(CC(C)(C)N1)Nc2nccc(-c3ccc(s3)C#CC(C)(C)N)n2	1236
+FC(F)(F)CNc1c(cc(Cl)cn1)C(NC(C)(C)C#C)=O	3229
+CC(C)(C#Cc1ccc(c(C(c2ccc(cc2)Nc3c(cc(F)cc3)F)=O)c1)OC)N	197
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cnc(c3nc(-c4c(N)non4)n(CC)c23)C#CC(C)(C)O	7067
+CC(C)(C#Cc1ccc2nc(C(=O)OCC)cn2c1C)O	2379
+CC(C)(O)C#Cc1ccc(F)c(F)c1F	197
+CC(C)(C#Cc1cc(F)c(C#N)cc1)O	197
+CC(C)(C#Cc1cc2c(Oc3c(cc(Br)cn3)C24COC(=N)N4)cc1)O	7068
+c1cc(ccc1C#CC(C)(C)O)CCCCC	197
+c1cc(ccc1OC)C(C#CC(C)(C)O)O	4019
+c1cc(ccc1OC)OC(C)(C)C#C	3683
+CC1(C)OC(=CC1=O)c2ccc(cc2)OC	4020
+FC(F)(F)c1cc(ccc1)-c2cc3c(cc2)[nH]c(NC(=O)c4nc5ccc(c(n5c4)C)C#CC(C)(C)O)n3	4021
+C#Cc1cc(F)c(cc1)C#N	2110
+CC(C)(C#Cc1cc2c(cc1)Oc3c(cc(Br)cn3)C24COC(=N)N4)OC	7069
+CC(C)(C#Cc1cc2c(cc1)Oc3c(cc(cn3)-c4cnccc4)C25NC(=N)OC5)OC	1168
+CC(C)(C#Cc1c(n2c(nc(c2)C(O)=O)cc1)C)O	6
+C[Si](C)(C)CCOCn1cc(C(NC(C2CC2)C(C)(C)C#N)=O)c3c1ncc(C4CC4)n3	484
+CC(C)(C#N)CCCC#N	913
+CC(C)(CN)Cc1cccc(Br)c1	51
+CC(C)(C)OC(=O)NC(CCCC)C(C#N)O	7070
+CC(C)(c1ccc(N)cc1C=C)C#N	7071
+c1cc(ccc1C)-c2cc(N)ccc2C(C)(C)C#N	11
+CC(C)(C#N)c1c(Br)cc(cc1)N	0
+CC(C)(c1c(C)ccc(F)c1)C=O	2013
+CC(C)(CN)c1cc(c(cc1)OC)OC	51
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)(C)C#N	17
+CC(C)(C#N)c1nc(ccc1)O	104
+CC(C)(n1ncc(Cl)c1)C(OCC)=N	1664
+CC1(C)C(Nc2c(O1)cc(cc2)C)=O	4023
+CC1(C)Oc2c(NC1=O)cc(Br)c(F)c2	4023
+CC(C)(Br)C(Nc1ccccc1O)=O	829
+C1CCc2c1cc3CC(C)C(=O)c3c2	3348
+c1cc(ccc1C(C)(C)C(C(=O)O)NC)Br	4024
+c1ncncc1Cn2nc(-c3nc(c(nn3)C(C)(C)C(=O)OC)O)c4cc(cnc24)F	3553
+FC(F)(F)C(C)(C(C)(C)C(c1cc2c(n(-c3ccc(cc3)F)nc2)cc1)c4ccccc4)O	7072
+CC(C)(CCCCOCCCCCl)C(=O)OCC	204
+CC(C)(C(=O)N)c1ccccc1OCc2ccccc2	22
+CC(C)(c1ccccc1CCc2c(cnc(n2)Cl)Cl)C(N)=O	801
+CC(C)(c1c(cccc1)OCc2ccccc2)N	7073
+CC(C)(CN(c1nc(Nc2ccc(cc2OC)C(=O)OC)ncc1Br)C3CCCC3)C(NC)=O	55
+CC(C)(N(C)C)C(=O)NNc1ncc(F)cc1	355
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc(c(c1)Cl)[N+]([O-])=O)=O	10
+CC(C)(c1cc(c(cc1)F)OC)C(=O)N(OC)C	164
+CC(C)(C(OCCCC)=O)c1cc(O)c2c(OC(C)(C)C3CCC(CC23)O)c1	4025
+c1cc(ccc1C(C)(C)C(=O)O)O	5
+c1cc(ccc1C(C)(C)C(Nc2cc(ccc2)OCCOC)=O)S(=O)(=O)C=CC#N	33
+CC1(C)C(=O)NN=C1c2c3ccc(CC)nc3c(cc2)OC	7074
+c1cc(ccc1CN(CCC)C(=O)CCC(C)(C)C(=O)OC)-c2c(C#N)cccc2	58
+c1cc(ccc1)COCC(C)(C)C(=O)O	4
+c1cc(ccc1)COCC(C)(C)C(CC#N)=O	1982
+CC(C)(C(=O)OC)COc1ncc(-c2ccc3c(cc(nc3c2)C)C(=O)Nc4ccccc4)cc1	67
+c1cc(ccc1)NC(=O)c2cc(nc3c2ccc(-c4cnc(cc4)OCC(C)(C)C(=O)O)c3)C	4
+c1c(C)c(c(cc1CC(C)(C)C(=O)O)C)-c2[nH]c3ccc(cc3n2)-c4oc(-c5ccccc5C)nn4	4
+CC1(C)C(Nc2cc(N3CCOCC3)cnc12)=O	4026
+CC1(C)c2c(NC1=O)cc(Br)cn2	4026
+CC(C)(C)OC(N1CCN(CC1)C(C)(C)C(=O)OCC)=O	7075
+CC(C)(C)OC(=O)Nc1cccc(OC(C)(C)C(OCC)=O)c1	517
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(C)C(CCCc3cc(C)c(OC(C)(C)C(OCC)=O)cc3)C2	517
+CC(C)(Sc1ccc2c(c1)sc(N)n2)C(=O)OCC	3815
+O=S(=O)(CC)c1cc2c(OC(C)(C)C(=O)N2)c(c1)Br	7076
+CC(C)(C(OCC)=O)Oc1ccc([N+]([O-])=O)c(c1)F	517
+c1ccccc1-c2c3c([nH]c2C)cccc3OC(C)(C)C(=O)OCC	517
+CC(C)(Oc1ccc2c(c1)c(C(=O)OCc3ccccc3)c(C)[nH]2)C(OCC)=O	517
+C1CCCCC(C1)=C(c2ccc(cc2)O)c3ccc(cc3)OC(C)(C)C(OCC)=O	517
+CC(C)(C(OCC)=O)Oc1ccc(cc1)CCCC(=O)O	517
+FC(F)(F)c1ccc(cc1)-c2ccc(c(C)n2)CCOc3c4c(cccc4)cc(c3)OC(C)(C)C(OCC)=O	20
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2C)Cl	4027
+CC1(C)C(C)(C)OB(O1)c2sc(cc2)C(=O)O	4027
+CC(C)(C(C)=O)c1cc(c(cc1)F)C#N	180
+c1cc(ccc1C=CC(C(C)(C)C(C)C)=O)Cl	964
+CC(C)(C(C)NS(=O)(=O)c1ccc(cc1)-c2c3cc([nH]c3ncc2)C4CC4)O	7077
+CC(C)(CCl)C(COc1ccc(cc1)-c2ccc(cc2)Cl)=O	717
+CC(C)(CF)C(COc1ccc(Cl)cc1Cl)=O	717
+CC(C)(C(=O)N)c1ccccc1C#Cc2nc(Cl)ncc2Cl	838
+c12c(C(=O)N(C1=O)CC(NC(c3cc(sc3)-c4ccnn4C)=O)C(C)(C)c5ccccc5)cccc2	2582
+CC(C)(Sc1cc2sc(N)nc2cc1)CN3CCCC3	15
+CC(C)(C(=O)NC)CN(C1CCCC1)c2nc(ncc2Br)Cl	54
+O=S(=O)(c1ccccc1)Nc2cc3c(n(c(C(C)(C)CC)n3)CC4CCCCC4)cc2	953
+CC(C)(CCC)C(=O)Cl	130
+CC(C)(CO)C(OCC)=O	939
+c1ccccc1COC(NC(C)(C)C(NC(CCc2ccccc2)C(OCC=C)=O)=O)=O	188
+CC(C)(C(O)=O)c1cncc(-c2ccc3c(CCC(=O)N3C)c2)c1	156
+CC(C)(O)C(Oc1c(cnc(Cl)n1)I)C	145
+CC(C)(C(C)=O)c1cc(c(cc1)F)Br	86
+CC(C)(Oc1cc(C)c(SC#N)cc1C)C(=O)OC	517
+c1ccccc1COc2cc(c(cc2)OC(C)(C)C(OC)=O)C	517
+CC(C)(C(OC)=O)CC(c1ccc(cc1)-c2ccc(cc2)NC=O)=O	2111
+CC(C)(C(OC)=O)CC(c1ccc(cc1)-c2ccc(cc2)N)=O	2737
+CC(C)(COc1ccc(cc1)OC)CO	95
+CC(C)(C(=O)OC)NC(=O)c1ccc2c(nc3c(c2O)cccc3)c1	7078
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(c3)-c4cc(ccc4)C(=O)NC(C)(C)C(=O)OC)o2	259
+CC(C)(C(OC)=O)OCCCCCCCc1csc(n1)-c2ccccc2	3301
+CC(C)(C(OC)=O)OCCCCCCCC(=O)CCl	86
+CC(C)(C(OC)=O)OCCCCCCCC(O)CCl	7079
+CC(C)(C(OC)=O)OCCCCCCCC1OC1	553
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3c(cc(OC(C)(C)C(OC)=O)c(Cl)c3)Cl)c2	20
+c1ccccc1C#Cc2ccc(cc2)OCCc3csc(SC(C)(C)C(OC)=O)n3	129
+CC(C)(C(OC)=O)c1cc(c(OC)c(-c2c(ccc(C#N)c2)OC)c1)C=O	11
+CC(C)(c1cc(-c2[nH]c3c(cc(cc3)C(=N)N)n2)c(c(c1)-c4c(ccc(C#N)c4)OC)OC)C(=O)OC	622
+CC(C)(C(OCC)=O)CN	3664
+CC(C)(C)SCC(CC(C)(C)C(OCC)=O)=O	7080
+c1cc(ccc1S(=O)(=O)NCCCCCCC(C)(C)C(OCC)=O)Cl	7081
+CC(C)(CNC(c1c(c2ccc(cc2c(C#N)n1)Oc3cc4ccccc4cc3)O)=O)C(OCC)=O	658
+CC(C)(Oc1cc(c(N)cc1)F)C(OCC)=O	0
+c1cc(ccc1OCCN2C(=O)Sc3c2ccc(c3)C(=O)c4ccccc4)OC(C)(C)C(OCC)=O	7082
+FC(F)(F)c1ccc(cc1)-c2ncc(C(=O)NCc3cccc(c3)OC(C)(C)C(OCC)=O)c(C4CC4)n2	484
+FC(F)(F)c1ccc(cc1)CCNc2cccc(OC(C)(C)C(OCC)=O)c2	3418
+CC(C)(C(=O)O)c1cc(Cl)c([N+]([O-])=O)cc1	3
+CC(C)(CO)n1ncc([N+]([O-])=O)c1	44
+CC(C)([N+](=O)[O-])C(c1ccc2OCOc2c1)Cl	525
+CC(C)(C)C#Cc1sc(c(NC(OC(C)(C)C)=O)c1)C(OC)=O	1236
+CC(C)(C)C#Cc1c(NC(OC(C)(C)C)=O)cnc(c1)Cl	1243
+CC(C)(C)C#Cc1ccc(cc1F)C=2NC(=O)N(N=2)c3cc(ccc3Cl)CNC(C(C)C)=O	3732
+CC(C)(C)C#Cc1sc(c(N(C(C)C)C(=O)C2CCC(CC2)C)c1)C(=O)OC	1236
+CC(C)(C)C#Cc1cc(c(s1)C(=O)OC)N(C2CCC3(OCCO3)CC2)C(C4CCC(CC4)C)=O	1990
+CC(C)(C)C#Cc1ccc(cc1)CCS(=O)(=O)Nc2ccc(cc2S(=O)(=O)N)C	197
+CC(C)(C)C#Cc1cccc(N)c1C#N	197
+CC(C)(C)C#Cc1c(c(C#N)cc([N+](=O)[O-])c1)N	197
+CC(C)(C)C#Cc1c(C)cc(c(C)c1)N	121
+CC(C)(C)C#Cc1c2c(c(nn1)Nc3ccc(cc3)Oc4ccnc5c4ncc(c5)OC)cccc2	7083
+CC(C)(C)C#Cc1cc(C)c(N=CN(C)C)cc1C	7084
+CC(C)(C)c1cc2cc(Cl)ncc2[nH]1	7085
+CC(C)(C)c1cc2c(c(C#N)cc([N+]([O-])=O)c2)[nH]1	2112
+CC(C)(C)c1n(CCO)c2cnc(Cl)cc2c1	7086
+CC(C)(C)C#Cc1sc(C(O)=O)c(N(C2CCOCC2)C(=O)c3ccc(cc3Cl)Cl)c1	1
+CC(C)(C)C#Cc1sc(c(N(C2CCC(CC2)O)C(=O)C3CCC(CC3)C)c1)C(=O)OC	100
+CC(C)(C)C#Cc1cc(N(C(c2ccc(cc2Cl)Cl)=O)C3CCOCC3)c(C(=O)OC)s1	4028
+CC(C)(C)C#Cc1cc(N(C2CCC(CC2)=O)C(C3CCC(CC3)C)=O)c(s1)C(=O)OC	97
+CC(C)(C)CCc1cccc(N)c1C#N	213
+CC(C)(C)C#Cc1cc(N(C(C)C)C(C2CCC(CC2)C)=O)c(C(=O)O)s1	1
+CC(C)(C)C#Cc1sc(c(N)c1)C(=O)OC	4029
+CC(C)(C)c1nnc(CC#N)[nH]1	7087
+CC(C)(C)c1ncc[nH]1	7088
+CC(C)(C)c1noc(-c2ccc(cc2)C#Cc3cc(F)ccc3)n1	7089
+CC(C)(C)C1(CO1)C(F)(C)n2ncnc2	2113
+CC(C)(C)C(COc1n(-c2ccccc2)nc(C(=O)NC(C(=O)OC)CCC(=O)OC(C)(C)C)c1)=O	7090
+CC(C)(C)C(=O)CN1C(=O)C(CN(C2CCCCC2)c3ccc(C)cc13)NC(=O)OC(C)(C)C	7091
+CC(C)(C)C(=O)COc1c(C)cc(cc1)C(CC)(CC)c2nc3cc(C(=O)OC)ccc3o2	717
+CC(C)(C)C(=O)COc1ccc(cc1C)C(CC)(CC)c2cc3sc(cc3cc2)C(OCC)=O	717
+CC(C)(C)C(=O)COc1c(cc(cc1)C(CC)(CC)c2ccc3cc(C(OC)=O)ccc3c2)C	717
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2nc3ccc(C(=O)OC)cc3o2)cc1)C	717
+CC(C)(C)C(COc1ccc(cc1C)C(CC)(CC)c2oc3c(ccc(c3)OCc4ccccc4)c2)=O	717
+CC(C)(C)c1nc(N)sc1	1102
+CC(C)(C)C(CN1C(N(c2c(cc(s2)CC)C1=O)Cc3ccc(cc3)-c4c(C#N)cccc4)=O)=O	7092
+CC(C)(C)c1cc(N)n(n1)-c2cc(OC)ccc2	752
+CC(C)(C)c1cc(N)n(n1)-c2cc(c(cc2)C)I	752
+CC(C)(C)c1cc(N)n(-c2ccc3CCN(C(=O)C(F)(F)F)c3c2)n1	4030
+FC(F)(F)C(NCCc1cccc(c1)-n2c(N)cc(C(C)(C)C)n2)=O	752
+CC(C)(C)c1nn(-c2ccccc2C)c(c1)N	752
+CC(C)(C)c1nn(c(c1)N)-c2ccc(cc2)F	752
+CC(C)(C)c1cc(N)n(n1)-c2ccc(cc2)C	752
+CC(C)(C)c1cc(N)n(-c2ccc(cc2)[N+]([O-])=O)n1	752
+CC(C)(C)OC(=O)N1CC2CN(CC(C1)O2)CC(C(C)(C)C)=O	2382
+CC(C)(C)C(CN1C(C(CN(C2CCCCC2)c3c1cc(cc3)C)N)=O)=O	84
+CC(C)(C)C(CN1C(=O)c2cc(CC)sc2N(C1=O)Cc3ccc(cc3)-c4c(cccc4)C5=NOC(=O)N5)=NOC	350
+CC(C)(C)C(=O)COc1c(C)cc(cc1)C(CC)(CC)c2ccc3cc(oc3c2)C(O)=O	6
+CC(C)(C)C(COc1c(C)cc(cc1)C(CC)(CC)c2ccc(cc2)-c3nnn[nH]3)O	100
+CC(C)(C)C(=O)COc1c(C)cc(cc1)C(CC)(CC)c2ccc(cc2)C#N	1013
+CC(C)(C)C(=O)COc1c(C)cc(C(CC)(CC)c2ccc(cc2)-c3nnn[nH]3)cc1	1174
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2cc3ccc(cc3cc2)C(=O)N(C)C)cc1)C	115
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2oc3c(ccc(c3)C(O)=O)n2)cc1)C	1
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2nc3c(o2)cc(cc3)C(N(C)C)=O)cc1)C	30
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2ccc3c(ccc(C(=O)O)c3)c2)cc1)C	1
+CC(C)(C)C(COc1c(C)cc(cc1)C(CC)(CC)c2cc3c(cc(C(=O)N(C)C)s3)cc2)O	100
+CC(C)(C)C(COc1c(C)cc(cc1)C(CC)(CC)c2cc3sc(cc3cc2)C(O)=O)O	100
+CC(C)(C)C(=O)COc1ccc(C(CC)(CC)c2cc3c(cc(C(=O)N(C)C)s3)cc2)cc1C	867
+CC(C)(C)C(=O)COc1ccc(cc1C)C(CC)(CC)c2cc3sc(cc3cc2)C(O)=O	6
+CC(C)(C)C(OCC1CCN(CC1)C(=O)OC(C)(C)C)=O	204
+CC(C)(C)C(N1c2c(cccc2)NC(C(NC(OC(C)(C)C)=O)C1)=O)=O	192
+CC(C)(C)C(NS(=O)(=O)c1ccccc1NC(=O)c2cc(ccc2)OCc3ccc(cc3)C(C)(C)C)=O	2738
+CC(C)(C)C(=O)NCc1cc(c(cc1)Cl)Nc2[nH]c3cc(c(Cl)cc3n2)N4C(CCC4)CN(C)C	68
+CC(C)(C)C(=O)Nc1nc2ccc(cc2cc1)-c3ccccc3C	195
+CC(C)(C)C(Nc1c(cc(Cl)cc1)C2Nc3ccccc3C2)=O	26
+CC(C)(C)C(=O)Nc1ccc(cn1)Cl	195
+CC(C)(C)C(=O)Nc1nn(C)c(c1C#N)N	195
+FC(F)(F)c1ccc(-c2nc3ccc(cn3c2)Br)cc1NC(C(C)(C)C)=O	26
+FC(F)(F)c1ccc(cc1NC(C(C)(C)C)=O)-c2nc3ccc(Cl)nn3c2	26
+CC(C)(C)C(NCc1ccc(Cl)c(Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(cc3n2C)OCC(F)F)c1)=O	68
+CC(C)(C)C(NCc1cc(c(cc1)Cl)C=2NC(=O)N(c3cc(Cl)c(cc3)F)N=2)=O	3733
+CC(C)(C)C(=O)NCc1c(cc(Cl)c(c1)C2=NC(=O)N(N2)c3cc(Cl)c(F)cc3)F	68
+CC(C)(C)C(=O)NCc1ccc(Cl)c(N)c1Cl	68
+CC(C)(C)C(=O)NCc1ccc(c(N)c1F)Cl	68
+CC(C)(C)C(Nc1c(ccc(-c2nc3ccc(Cl)nn3c2)c1)C)=O	26
+CC(C)(C)C(=O)Nc1ccc(C#N)c(OCC=C)c1	26
+CC(C)(C)C(Nc1nccc(c1)Cl)=O	195
+CC(C)(C)C(=O)NS(=O)(=O)c1cc(Cl)ccc1OCC(=O)N2CC(C)N(CC2C)Cc3ccc(cc3)F	2738
+CC(C)(C)C(Oc1c(c(O)nc2c1nccn2)-c3ccc(nc3Cl)Cl)=O	4031
+CC(C)(C)C(=O)NCc1c(F)c(c(F)cc1)N	68
+CC(C)(C)C(=O)Nc1ccc(c(c1)[N+]([O-])=O)F	26
+CC(C)(C)C(=O)Nc1c(c(c(Br)cc1)[N+]([O-])=O)C(OC)=O	26
+CC(C)(C)C(=O)Oc1cccc(C=O)c1	385
+CC(C)(C)C(Oc1c(-c2nnn[nH]2)cccc1)=O	385
+CC(C)(C)C(Nc1c(Cl)cccc1CO)=O	26
+CC(C)(C)C(=O)Nc1c(ccc(OC)c1)-c2ccccc2	26
+CC(C)(C)C(=O)NC(C)C(c1ccccc1)Oc2cc3c(n(-c4ccc(cc4)F)nc3)cc2C	68
+CC(C)(C)C(Nc1c(C)ccc(-c2c(n3nc(ccc3n2)OC)-c4ccc(cc4)F)c1)=O	26
+CC(C)(C)C(=O)Nc1n(Cc2ccc(cc2)OC)ncc1C(N)=O	195
+CC(C)(C)C(Nc1ccc(cc1)C#N)=O	26
+CC(C)(C)C(Nc1ccc(cc1)Cl)=O	26
+CC(C)(C)C(Nc1ncc(cc1)Br)=O	195
+CC(C)(C)C(=O)Nc1ccccc1C	26
+CC(C)(C)C(=O)Nc1c(C)ccc(c1)-c2nc3n(c2Br)nc(cc3)OC	26
+CC(C)(C)C(=O)Nc1cc(F)cnc1	308
+CC(C)(C)C(Nc1cncc(c1)Br)=O	308
+CC(C)(C)C(=O)Nc1n(C)nc(C)c1	195
+CC(C)(C)c1nc(co1)CCl	7093
+CC(C)(C)C(N(c1ccc(cc1)CN)C)=O	107
+CC(C)(C)C(N(C1CN(C(C(=O)N)C1)C(=O)OC(C)(C)C)C2CCC(CC2)C)=O	83
+FC(F)(F)C(N1CCc2c(C#CCCNC(C(C)(C)C)=O)c(ccc2CC1)Cl)=O	1247
+CC(C)(C)C(NCc1ccc(c(Nc2nc3c(cc(F)c(c3)C(Nc4ccc(c(Cl)c4)F)=O)n2C)c1Cl)Cl)=O	1023
+CC(C)(C)C(=O)NCc1ccc(c(N=C=S)c1F)F	1381
+CC(C)(C)C(=O)NCc1c(Cl)c(N=C=S)c(cc1)Cl	1381
+CC(C)(C)C(=O)NCc1ccc(c(c1F)N=C=S)Cl	1381
+CC(C)(C)C(=O)NCc1c(F)c(c(cc1)F)Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(OCC(F)F)cc3n2C	1023
+CC(C)(C)C(Nc1c(B(O)O)ccc(OC)c1)=O	281
+CC(C)(C)C(=O)Nc1c(C(=O)OC)c(cc(c1)F)O	16
+CC(C)(C)C(Nc1c(c2nc3n(c2cc1)CCC3)C(=O)OC)=O	2739
+Clc1cc(c(N)cc1)C(=O)c2cccnc2	685
+n1cccnc1-c2c(N)c(cc(Br)c2)[N+]([O-])=O	685
+CC(C)(C)C(Nc1c(F)c(C(=O)c2ccc3nccnc3c2)c(cc1)F)=O	335
+CC(C)(C)C(Nc1ccc(C#N)c2c1cc(C)o2)=O	7094
+CC(C)(C)C(=O)Nc1c(C(OC)=O)c(OCc2ccccc2)cc(F)c1	128
+CC(C)(C)C(=O)Nc1cncc(F)c1I	916
+CC(C)(C)C(=O)Nc1cc(c(cc1)NCC2CCCCC2)N	0
+CC(C)(C)C(=O)Nc1c(c(O)c(C#N)cc1)CC=C	423
+CC(C)(C)C(=O)Nc1ncc(cc1)CC	1661
+CC(C)(C)C(Nc1ccc(CO)c(C)n1)=O	269
+C1COCCN1c2cnc3ccc(cc3n2)C(c4ccc(cc4)N)=O	685
+CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)c2ccc3ncc(N4CCOCC4)nc3c2	335
+CC(C)(C)C(=O)Nc1ncc(Cl)cc1C=O	1031
+CN(C)CCc1c(cc(-c2nc(ccc2)N)c(c1)OC)OC	1189
+CC(C)(C)C(=O)Nc1nc(ccc1)-c2c(cc(CCO)c(c2)OC)OC	35
+CC(C)(C)C(Nc1c(C(O)c2c(cc(Cl)cn2)NS(=O)(=O)c3ccc(c(C(F)(F)F)c3)Cl)c(ccc1)OC)=O	7095
+CC(C)(C)C(Nc1cc(ccc1)C(c2ccc3ncc(nc3c2)Cl)=O)=O	335
+CC(C)(C)c1[nH]c2c(cccc2)c1	7096
+Nc1cncc(F)c1I	4032
+CC(C)(C)CNc1n(nc(C)c1)C	15
+CC(C)(C)c1nc(O)c2c(n1)n(Cc3ccc(cc3)OC)nc2	7097
+CC(C)(C)C(=O)Nc1nc(-c2cc(CC)c(cc2OC)CCO)ccc1	35
+CN(C)CCc1cc(OC)c(-c2nc(N)ccc2)cc1CC	1189
+CC(C)(C)C(=O)Nc1nc(ccc1)-c2cc(c(CC=O)cc2OC)CC	24
+n1c(ccc(Cl)c1Cl)N	1189
+CC(C)(C)C(Nc1nc2c(c3c(cccc3)[nH]2)c(n1)Nc4cc(ccc4)Br)=O	1665
+CC(C)(C)C(=O)Nc1nc(Cl)c2c([nH]c3ccccc23)n1	1032
+CC(C)N(C(C)C)CC#Cc1c2c(nc(NC(=O)C(C)(C)C)nc2n(c1)Cc3c(c(c(C)cn3)OC)C)Cl	3958
+CC(C)(C)C(=O)Nc1cccc(-c2c(cc(CCN(C)C)c(c2)OC)OC)n1	61
+CC(C)(C)C(=O)Nc1nc(ccc1)-c2c(OC)cc(CC=O)c(c2)OC	24
+CC(C)(C)C(=O)Nc1nc(-c2cc(CC)c(CCN(C)C)cc2OC)ccc1	61
+CC(C)(C)C(=O)Nc1nc(Cl)c(Cl)cc1	395
+CC(C)(C)C(=O)Nc1c(I)cc2c(n1)ccc(-c3ccccc3C)c2	625
+Nc1c(cc(Cl)cn1)C=O	1189
+CC(C)(C)C(=O)Nc1[n+](cc(cc1)CC)[O-]	341
+CC(C)(C)c1c(Cl)nnc(Cl)c1	3836
+CC(C)(C)C(OC(CC)c1c2c(nc3N(CCCn23)c4c(Cl)cc(Cl)cc4)c(cc1)Cl)=O	7098
+CC(C)(C)C(=O)Oc1ccc(cc1)C(c2sc(S(=O)(=O)N)cc2)=O	7099
+CC(C)(C)C(OC1CC(C1)O[Si](C)(C)C(C)(C)C)=O	655
+C1CN(CCN1CC(COc2c(OC)cc3c(ncnc3O)c2)O)C	1666
+C1CCCN1CC(O)COc2c(OC)cc3c(ncnc3O)c2	1666
+CC(C)(C)C(=O)OCN1C=Nc2c(C1=O)cc(OC)c(O)c2	16
+C1CN(CCC1)CCCOc2cc3ncnc(c3cc2OC)O	1666
+C1CC(CCC1)Cn2c3c(OC)cccc3c(-c4nc(sc4)CO)c2	4033
+C(C)OC(OCC)c1ccc(nc1)-c2c[nH]nn2	4035
+CC(C)(C)C(=O)Oc1cc2c(CC(CC2)c3ccc(cc3NCCCc4ccc(cc4)CC(=O)O)OC)cc1	7100
+CC(C)(C)C(=O)Oc1cccc(CO)c1	41
+CC(C)(C)C(=O)Oc1cc(CP(OCC)(OCC)=O)ccc1	590
+CC(C)(C)C(c1ccc(CC(C)C(=O)O)c(Br)c1)=O	4036
+CC(C)(C)[Si](C)(C)OCc1ccc(c(c1)C(=O)C(C)(C)C)-c2cc(ccc2F)OC	19
+CC(C)(C)C(=O)c1c2c(cc(OC)cc2)n(CC(=O)O)n1	3
+CC(C)(C)c1nc(c(s1)-c2nc(ncc2)Cl)-c3cccc(c3F)NC(OCC=C)=O	873
+CC(C)(C)c1sc(c(-c2c(c(ccc2)NS(=O)(=O)c3c(cccc3F)F)F)n1)-c4nc(Cl)ncc4	873
+CC(C)(C)C(O)C#Cc1ccc(cc1)C(CC)(CC)c2cc(C)c(OCc3ccccc3)cc2	197
+CC(C)(C)c1c(N)n[nH]c1N	4037
+CC(C)(C)C(NC(C(NCC)C(C)(C)c1ccccc1)=O)C(N(C)C(C=C(C(=O)OCC)C)C(C)C)=O	207
+CC(C)(C)C(C(N)=O)N	334
+CC(C)(C)C(C(=O)N1CCC2N(CC(c3c4ccc(cc4[nH]c3)F)C12)C5CCCC5)N	84
+CC(C)(C)C(NC(=O)c1[nH]c2ccccc2c1)C(N3C4CC(N(C(=O)c5ccc(-c6ncc(C#N)cc6)cn5)C4)C3)=O	147
+CC(C)(C)C(NC(=O)c1[nH]c2ccccc2c1)C(N3C4CC(C3)N(C(=O)c5ccc(cn5)Br)C4)=O	147
+C[Si](C)(C)CCOCn1cc(C(NC(C(C)(C)C)C(N2CCC(CC2)C#N)=O)=O)c3c1ncc(Br)n3	2717
+CC(C)(C)C(NC(=O)OC)C(NC(C(CC(NC(=O)OC(C)(C)C)Cc1ccccc1)O)Cc2ccccc2)=O	9
+CC(C)(C)C(C(NNCc1ccccc1)=O)NS(=O)(=O)C	355
+CC(C)(C)C(C(=O)O)NC(=O)C(C1CCCCC1)NC(=O)c2cnccn2	4
+CC(C)(C)C(NC(=O)N1C(N(c2ccccc12)CCC(C)(C)O)=O)C(=O)N	7101
+CC(C)(C)C(C(N)=O)NC(c1c2c(n(Cc3noc(C)c3)n1)cccc2)=O	712
+CC(C)(C)C(N)C(N1CCC(CC1)(O)c2ccccc2)=O	84
+CC(C)(C)C(C(NC)=O)NC(c1c2n(CCN(C(OC(C)(C)C)=O)C2)c(n1)-c3ccccc3)=O	1795
+CC(C)(C)C(NC(=O)c1c2CNCCn2c(-c3ccccc3)n1)C(NC)=O	2
+CC(C)(C)C(C(=O)O)NS(=O)(=O)C	4038
+CC(C)(C)C(O)(C)C(=O)O	7102
+CC(C)(C)C(=Cc1c(Cl)cc(cc1)Cl)C	846
+CC(C)(C)C(Cc1cc(c(cc1)OC)OCc2ccccc2)=O	3517
+CC(C)(C)C(C)N(Cc1ccc2n(COC(N3CCCC3)=O)c(nc2c1)N)C(=O)OCc4ccccc4	4039
+CC(C)(C)C(C)N(C(=O)OCc1ccccc1)Cc2ccc(NCOC(=O)N3CCCC3)c(c2)N	0
+CC(C)(C)C(Nc1nc(ncc1F)-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)F)CCC(=O)OCC	783
+CC(C)(C)C(C=CC(OCC)=O)Nc1nc(ncc1F)-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)F	1344
+CC(C)(C)C(Nc1c(F)cnc(n1)Cl)CC(OC)=O	40
+CC(C)(C)C(Nc1nc(ncc1F)-c2c[nH]c3ncc(cc23)F)CC(=O)O	4
+CC(C)(C)C(CC(OC)=O)Nc1c(F)cnc(-c2c[nH]c3ncc(cc23)F)n1	392
+CC(C)(C)C(C(C(=O)OCC)=CN(C)C)=O	2740
+CC(C)(C)C(CN1C(C(CN(C2CCCCC2)c3ccc(C)cc13)NC(=O)Nc4cc(C(O)=O)ccc4)=O)=O	6
+CC(C)(C)C(=O)CN1C(N(c2sc(cc2C1=O)CC)Cc3ccc(cc3)-c4c(cccc4)C5=NOC(=O)N5)=O	618
+CC(C)(C)C(CN1CC2CN(CC(C1)O2)CCc3ccc(cc3)C#N)=O	123
+CC(C)(C)C(O)CN1C(=O)C(=C(n2c1nc(C)n2)CCC)Cc3ccc(cc3)-c4ccccc4C#N	100
+CC(C)(C)C(OC)CN1c2n(nc(C)n2)C(=C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)C1=O)CCC	618
+CC(C)(C)c1oc(-c2cc(OCC3CC3)c(C4CC4)cn2)nc1	7103
+CC(C)(C)C(C)(C=O)O	24
+CC(C)(C)C(COc1c2c(ncn1)oc(c2-c3ccc(cc3)CC)-c4ccccc4)CO	2741
+CC(C)(C)C(Nc1nc(ncc1F)Cl)C=O	24
+CC(C)(C)C(COS(=O)(=O)C)Nc1nc(ncc1F)Cl	7
+CC(C)(C)C(COC)(COC)COC(C)(C)C(C)C	76
+CC(C)(C)C(CSC(=O)C)Nc1nc(Cl)ncc1F	7104
+CC(C)(C)C(CN=[N+]=[N-])Nc1c(F)cnc(n1)Cl	133
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2cc3cc(ccc3s2)OS(=O)(=O)C)C)=O	444
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2cc3cc(O)ccc3s2)C)=O	5
+CC(C)(C)OC(COCC(C(C)(C)C)COc1ncnc2oc(c(-c3ccc(cc3)CC)c12)-c4ccccc4)=O	337
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2cc3ccc(OS(=O)(=O)C)cc3o2)C)O	100
+CC(C)(C)C(COc1ccc(cc1C)C(CC)(CC)c2cc3ccc(OS(=O)(=O)C)cc3o2)=O	444
+CC(C)(C)C(COc1ccc(cc1C)C(CC)(CC)c2cc3ccc(cc3o2)O)=O	16
+CC(C)(C)C(COc1n(nc(C(NC(CCC(=O)OC(C)(C)C)C(O)=O)=O)c1)-c2ccccc2)=O	4
+CC(C)(C)C(Nc1c(F)cnc(-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)F)n1)CS(=O)(=O)C	1344
+CC(C)(C)C(CSC)Nc1nc(ncc1F)Cl	3424
+CC(C)(C)C(CS)Nc1c(F)cnc(Cl)n1	1113
+CC(C)(C)C(CS(=O)(=O)C)Nc1nc(ncc1F)Cl	991
+CC(C)(C)C(Cc1ccc(c(OCc2ccccc2)c1)OC)NC=O	707
+CC(C)(C)C(Cc1cc(c(OC)cc1)OCc2ccccc2)N	7105
+CC(C)(C)C1Cc2c(C=N1)cc(c(c2)OCc3ccccc3)OC	2742
+CC(C)(C)C(Nc1c(cnc(-c2c[nH]c3ncc(cc23)F)n1)F)Cn4cc(nn4)CO	392
+CC(C)(C)C(=O)N(C1CC(C#N)N(C(OC(C)(C)C)=O)C1)C2CCC(CC2)C	143
+CC(C)(C)C(N(c1ccc(cc1)CNc2c3c(CCN(C(C(F)(F)F)=O)CC3)ccc2Cl)C)=O	1627
+CC(C)(C)C(C)NC(Nc1cc(OC)cc(OC)c1)=C(S(=O)(=O)C)C#N	7106
+CC(C)(C)C(NCCc1c(oc(n1)COc2ccccc2)C(=O)OCC)C	285
+FC(F)(F)C(C)Oc1c(C2CC2)cnc(C(NC(C(C)(C)C)C#N)=O)c1	81
+CC(C)(C)C(C(NC)=O)NC(=O)c1c2n(CCN(C(OC(C)(C)C)=O)C2)c(n1)Br	4040
+CC(C)(C)C(NC(=O)c1c2cccc(c2n(n1)Cc3ccc(cc3)C#N)F)C(=O)NCCO	712
+C[Si](C)(C)CCOCn1cc(c2nc(C3CC3)cnc12)C(NC(C(N4CCC(CC4)(O)c5ccccc5)=O)C(C)(C)C)=O	2717
+CC(C)(C)C(CO)Nc1c(F)cnc(Cl)n1	40
+CC(C)(C)C(NC(c1nn(c2C3CC3Cc12)-c4cc(Br)ccn4)=O)CO	81
+CC(C)(C)OC(=O)NC1C(N(c2c(cccc2)N(C1)C(=O)C(C)(C)C)CC(c3ccccc3C)=O)=O	4041
+CC(C)(C)C(=O)N1c2ccccc2N(CC(c3ccccc3C)=O)C(C(C1)NC(Nc4cccc(c4)C)=O)=O	1631
+CC(C)(C)C(NC(=O)OC)C(NC(Cc1ccccc1)C(O)CC(N)Cc2ccccc2)=O	12
+CC1(C)C(C)(C)OB(O1)c2ccc(C(N3CC4CC3CN4C(C(NC(=O)c5[nH]c6ccccc6c5)C(C)(C)C)=O)=O)nc2	234
+CC(C)(C)C(C(NC)=O)NC(c1nc(n2CCN(S(=O)(=O)CC)Cc12)-c3ccccc3)=O	112
+CC(C)(C)C(NC(C(NCC)C(C)(C)c1ccccc1)=O)C(N(C(C(C)C)C=C(C)C(=O)O)C)=O	108
+CC(C)(C)C(C(NC(C1CCCCC1)C(NC)=O)=O)N	84
+CC(C)(C)C(NC(OC(C)(C)C)=O)C(NC(C(=O)NC)C1CCCCC1)=O	248
+CC(C)(C)C(C(=O)N)NC(=O)OCc1ccccc1	83
+CC(C)(C)C(NC(=O)c1ccc([n+](c1)[O-])-c2c(c(F)cc(C(NC3CC3)=O)c2)C)C	103
+CC(C)(C)C(NC(c1ccc(cc1)-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)=O)C(O)=O	32
+CC(C)(C)C(NC(c1c2c(C3CC3C2)n(-c4nccc(C#N)c4)n1)=O)CO	7107
+CC(C)(C)C(NCCc1nc(COc2ccccc2)oc1C(O)=O)C	6
+CC(C)(C)C(C)N(C(=O)OCc1ccccc1)Cc2ccc(c(c2)[N+]([O-])=O)NCOC(=O)N3CCCC3	66
+CC(C)(C)C(Nc1c(-c2c(n(nc2C#N)CC)CC)ccc(c1)OC)=O	800
+c1cc(ccc1)C(=O)c2c(N)nccc2Cl	1189
+C1CC1c2nc(c(s2)-c3nc(ncc3)SC)-c4cc(cc(c4F)N)Cl	685
+C1COCCN1c2cnc3c(cc(C(=O)c4c(F)c(cc(F)c4F)N)cc3)n2	685
+CC(C)(C)C(Nc1nc(ncc1F)-c2c[nH]c3ncc(cc23)F)CS(=O)(=O)C	392
+CC(C)(C)C(CC(OC)=O)Nc1nc(ncc1F)-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)F	1344
+CC(C)(C)C(Nc1c(F)c(c(F)c(c1)F)C(c2cc3c(cc2)ncc(N4CCOCC4)n3)=O)=O	335
+BrC1(Br)C2C1COc3c(c(N)cc(c23)F)C(OC)=O	685
+Nc1ccc2c(nc3CCCn23)c1C(=O)OC	685
+CC(C)(C)C(=O)Nc1c([N+](=O)[O-])cc(cc1-c2ncccn2)Br	31
+CC(C)(C)C(Nc1c(ccc(-c2nc3ccc(nn3c2)-c4c(ccnc4)C(F)(F)F)c1)C)=O	2512
+CC(C)(C)C(Nc1ccc(c(C(c2cc3c(cc2)nccn3)O)c1)F)=O	257
+CC(C)(C)C(=O)Nc1c(c2c(C=CCO2)c(F)c1)C(=O)OC	1318
+C1CN(CCC1Nc2c(cnc(c2)N)Cl)C	1189
+C1COCCN1c2cnc3ccc(cc3n2)C(c4cccc(c4)N)=O	685
+CC(C)(C)C(Nc1ccc(c(C)n1)COCC)=O	481
+CC(C)(C)C(=O)Nc1c(C(c2cccnc2)=O)cc(cc1)Cl	814
+c1cc2c(cc1C(c3cc(ccc3F)N)=O)nccn2	685
+CC(C)(C)C(=O)Nc1c(c(C(O)c2cc3c(cc2)nccn3)c(cc1)F)F	1641
+CC(C)(C)C(Nc1ccc(F)c(c1)C(c2cc3c(nccn3)cc2)=O)=O	335
+Cc1nc(ccc1COCC)N	1189
+c1cc(ccc1N)-c2ncccn2	685
+CC(C)(C)C(Nc1ccc(cc1)-c2ncccn2)=O	345
+CC(C)(C)C(Nc1ccc(cc1)B(O)O)=O	422
+CC(C)(C)C(=O)N(C)c1ccc(cc1)C#N	239
+CC(C)(C)C(Nc1ccc(Cl)cc1C(O)c2cnccc2)=O	7108
+CC(C)(C)C(=O)Nc1ccc(cc1)Oc2cc3nc(cnc3cc2)N4CCN(CC4)C(=O)OC(C)(C)C	4043
+CC(C)(C)C(=O)Nc1cccc(c1)C(O)c2ccc3ncc(Cl)nc3c2	257
+CC(C)(C)C(=O)Nc1c(cccc1)-c2c(C)n(Cc3ccccc3)nc2C#N	800
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cc(cnc3)NC(=O)C(C)(C)C	156
+CC(C)(C)C(Cn1cc(nn1)CO)Nc2nc(ncc2F)-c3c4cc(cnc4n(S(=O)(=O)c5ccc(cc5)C)c3)F	1344
+CC(C)(C)C(C=CC(OCC)=O)Nc1nc(ncc1F)Cl	1667
+n1c(N)nc2[nH]c3c(cccc3)c2c1Nc4cccc(c4)Br	4044
+CC(C)(C)C(Nc1cc(Cl)c(cn1)Cl)=O	395
+CC(C)(C)C(Nc1c(C(c2ccccc2)=O)c(ccn1)Cl)=O	7109
+CC(C)(C)C(CN1c2nc(C)nn2C(CCC)=C(C1=O)Cc3ccc(cc3)-c4ccccc4C#N)OC	76
+CC(C)(C)C(CNC(=O)c1ncc(C2CC2)c(c1)OCC3CC3)=O	86
+CC(C)(C)[Si](C)(C)OC1CC(C1)O	4033
+CC(C)(C)C(=O)OCC1CCNCC1	2
+CC(C)(C)C(OCOC(=O)C(Cc1cc2c(nc(cc2)-c3c(cccc3Cl)Cl)cc1)NC(c4c(Cl)cccc4Cl)=O)=O	7110
+CC(C)(C)C(=O)OCN1C=Nc2cc(OCc3ccccc3)c(cc2C1=O)OC	7111
+C1CC(CCN1C)Oc2cc(OC)cc3ncnc(c23)O	1666
+c12cc(cc(OCCCl)c1c(ncn2)O)OC	1666
+CC(C)(C)C(OCN1C=Nc2c(C1=O)c(OCCCl)cc(OC)c2)=O	1668
+CC(C)(C)C(OCn1cc(-c2ccc(nc2C)Cl)nn1)=O	7112
+CC(C)(C)C(=O)OCn1nnc(-c2ccc(C(OCC)OCC)cn2)c1	2743
+Cc1c(ccc(n1)Cl)-c2[nH]nnc2	4035
+CC(C)(C)C(OC1=C(c2c(nc(cc2)Cl)Cl)C(N(c3nccnc13)CC(F)F)=O)=O	7113
+CC(C)(C)C(=O)c1nn(c2cc(OC)ccc12)CC(=O)OCC	1458
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)C(C(C)(C)C)(c3cncnc3)O)C	17
+CC(C)(C)Cc1cc(Br)c(CC(C)C(=O)O)cc1	165
+CC(C)(C)C(c1c(cc(I)cc1)[N+](=O)[O-])OC(=O)C2CC3CCC2(C)C3(C)C	204
+CC(C)(C)C(COc1ccc(cc1)F)(O)C(C)(F)n2cncn2	626
+CC(C)(C)C(COC)(CO)COC(C)(C)C(C)C	4045
+C1OC2(OCC1(CO2)C(C)(C)C)CCCCCC#C	7114
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)Nc2ccc(cc2)C(O)=O	7115
+CC(C)(C)C1=CC(C=C(C(C)(C)C)C1=O)=Nc2ccc(cc2)C(=O)O	7116
+CC(C)(C)C=1ON(C(=O)C=1)c2ccc(cc2[N+]([O-])=O)S(=O)(=O)CCO	7117
+CC(C)(C)c1nc2n(c(c(c(C)c2C#N)-c3ccccc3)Cl)n1	7118
+CC(C)(C)C1C(=C(C(N1Cc2cc(Cl)c(cc2)F)=O)C=3N=S(c4c(ccc(N)c4)N=3)(C)=O)O	0
+CC(C)(C)C1C(=C(C=2N=S(C)(c3cc(ccc3N=2)NS(=O)(=O)C)=O)C(N1Cc4cc(Cl)c(cc4)F)=O)O	80
+CC(C)(C)C1CC(C1)=O	2744
+CC(C)(C)C1CCC(CC1)=Cc2ccc3cc(CN4CCC(CC4)C(=O)OCC)ccc3c2	7119
+CC(C)(C)C1CCC(CC1)=Cc2ccc3cc(ccc3c2)CN4CCC(CC4)C(O)=O	3
+CC(C)(C)C1CCC(CC1)=C	2114
+CC(C)(C)C1CCC(CC1)C(NC(CC)c2nnc(-c3cc(ccc3)[N+](=O)[O-])nc2O)=O	68
+CC(C)(C)C1CCC(CC1)NC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl	14
+CC(C)(C)C1CCC(CC1)NC(=O)c2ccc(cc2)Oc3cc4c(cc3Cl)C(C(=O)O)CCO4	3
+CC(C)(C)C1CCC(CC1)Oc2cccc3cc(ccc23)C=O	1669
+CC(C)(C)C1CCC(CC1)Oc2ccc3c(c2)ccc(c3)CNC45CCC(CC4)(C(C5)O)C(=O)O	3
+CC(C)(C)C1CCC(CC1)Oc2ccc3cc(ccc3c2)CNCCC(=O)NS(=O)(=O)C	42
+CC(C)(C)C1CCC(CC1)Oc2ccc3c(ccc(c3)C=O)c2	146
+CC(C)(C)C1CCC(CC1)Oc2cccc3cc(ccc23)CNC4C(C)(C)C(C4)C(=O)OCC	42
+CC(C)(C)C1CCC(CC1)Oc2cccc3cc(CNC4C(C)(C)C(C(O)=O)C4)ccc23	3
+CC(C)(C)C1CCN(CC1)CCCNC(Nc2cc(N3C(=C(C)NC(C)=C3C(OC)=O)C(OC)=O)ccc2)=S	1167
+CC(C)(C)C1CCc2c(cc3c(n2)sc(c3)C(NC(c4cccc(Br)c4)CN)=O)C1	18
+CC(C)(C)C1CCc2nc3sc(cc3cc2C1)C(Cl)=O	2115
+CC(C)(C)C1CCc2c(cc3c(n2)sc(C(NC(CN=[N+]=[N-])c4cc(ccc4)Br)=O)c3)C1	1256
+CC(C)(C)C1Cc2c(cc(c(OCc3ccccc3)c2)OC)C4CC(=O)C(=CN14)C(=O)OCC	2745
+CC(C)(C)C1N2C(c3cc(OC)c(OCc4ccccc4)cc3C1)=CC(=O)C(C(OCC)=O)=C2	2746
+CC(C)(C)C1Cc2c(C3=CC(=O)C(C(OCC)=O)=CN13)cc(c(c2)O)OC	16
+CC(C)(C)C1OCCC(=O)C1	86
+CC(C)(C)c1nc(c2cc(I)ccc2n1)O	4046
+CC(C)(C)C1CC(=O)C1(Cl)Cl	2747
+CC(C)(C)C(c1ccc(cc1[N+](=O)[O-])I)O	7120
+CC(C)(C)Cc1nnc(-c2ccc(cc2)[N+](=O)[O-])o1	877
+CC(C)(C)CC(=O)Nc1c(C)c2c(OCC2c3ccc(cc3)C(C)(C)O)c(c1C)C	1033
+CC(C)(C)CC(=O)Nc1c(c(c2c(C(CO2)c3ccc(cc3)C=O)c1C)C)C	494
+CC(C)(C)CC(=O)Nc1c(c(c2c(C(c3ccc(cc3)C(C)O)CO2)c1C)C)C	449
+CC(C)(C)CC(=O)Nc1c(C)c2C(COc2c(c1C)C)c3ccc(cc3)C(C)=O	155
+CC(C)(C)CC(C)(C)c1c(cc2C(CC(Oc2c1)(COc3ccc(cc3)CC(Cl)C(OCC)=O)C)=O)OC(C)=O	1659
+CC(C)(C)CC(C)(C)c1c(cc2C(CC(Oc2c1)(COc3ccc(cc3)CC4SC(=O)NC4=O)C)=O)OC(C)=O	7121
+CC(C)(C)CC(C)(C)c1c(cc2C(CC(Oc2c1)(C)COc3ccc(cc3)N)=O)OC(C)=O	0
+CC(C)(C)Cc1nc2c(ccc(S(=O)(=O)C(C)C)c2)n1CC3CC3	849
+CC(C)(C)CC(Nc1c(C)cccc1C)=O	26
+CC(C)(C)CC(=O)N1CCC2(CCN(c3ccc(cc3)CC(F)(F)F)C2=O)CC1=O	4047
+CC(C)(C)CC(=O)N1CCC2(C(N(CC2)c3ccc(cc3)OC(F)(F)F)=O)CC1=O	4047
+CC(C)(C)CC(Nc1c(cc(cc1OC)Br)OC)=O	26
+CC(C)(C)CC(Nc1ccc2c(c1)cc(C(=O)OCC)n2-c3ccccc3)=O	26
+CC(C)(C)CC(=O)NNC(c1ccc(cc1)[N+](=O)[O-])=O	1086
+FC(F)(F)c1ccc(cc1)CNc2ccc(C)c(c2C)NC(=O)CC(C)(C)C	208
+CC(C)(C)CC(Nc1c(C)c(N)ccc1C)=O	0
+CC(C)(C)CC(Nc1c(C)ccc([N+]([O-])=O)c1C)=O	77
+CC(C)(C)CC(=O)Nc1c(OC)cc(cc1OC)N2CCc3c(C2)cccc3	79
+CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(n2-c3ccccc3)C(Nc4ccc(cc4)NC(OC(C)(C)C)=O)=O	187
+CC(C)(C)CC(Nc1cc2cc(n(-c3ccccc3)c2cc1)C(=O)O)=O	6
+CC(C)(C)CC1NC(C(c2cccc(Cl)c2F)C13c4cc(F)c(Cl)cc4NC3=O)C(=O)Nc5ccc(cc5OC)C#N	33
+CC(C)(C)CC1NC(C(C12c3c(cc(cc3)Cl)NC2=O)c4cc(Cl)cc(c4)F)C(Nc5c(cc(cc5)C#N)OC)=O	33
+CC(C)(C)CC1NC(C(C12c3c(cc(cc3)Cl)NC2=O)c4cc(Cl)cc(c4)F)C(Nc5ccc(C(N)=O)cc5OC)=O	216
+CC(C)(C)CC1NC(C(Nc2c(cc(C(N)=O)cc2)OC)=O)C(c3cccc(Cl)c3F)C14c5cc(F)c(Cl)cc5NC4=O	216
+CC(C)(C)CCn1c2CCCC(=O)c2c3ccc(cc13)OC	339
+CC(C)(C)CCC(=O)N1CCN(CC1)c2cc(ccn2)C(NO)=N	181
+CC(C)(C)CCC(N1CC(Oc2c(cccc2)Cl)=CC1=O)C(O)=O	4
+CC(C)(C)CCC(C(Nc1ccn(CC(CO)O)n1)=O)N2CC(Oc3c(cccc3)Cl)=CC2=O	265
+CC(C)(C)CCC(N1CC(Oc2c(cccc2)Cl)=CC1=O)C(Nc3ccn(CC4OC(C)(C)OC4)n3)=O	142
+CC(C)(C)CCCNCc1ccc(Oc2ncc(C(=O)N)nc2)c(OC)c1	42
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C	2749
+CC(C)(C)CCNC(Nc1cc(c(Br)cc1F)-c2c(nc3c(cnc(SC)n3)c2)C)=O	2749
+CC(C)(C)CCNC(Nc1c(F)cc(c(c1)-c2c(nc3cc(NC)ncc3c2)C)F)=O	2749
+CC(C)(C)CCN1C(=O)C(C=2NS(=O)(=O)c3c(ccc(NS(=O)(=O)C=C)c3)N=2)=C(C(=N1)c4cccs4)O	7122
+CC(C)(C)CCN1C(=O)C(C2=Nc3c(S(=O)(=O)N2)cc(cc3)N)=C(C(=N1)c4cccs4)O	7123
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C	9
+CC(C)(C)CCN1CCC(CC1)C(=O)O	3
+CC(C)(C)CCN1CCN(CC1)C(=O)CCc2c(cc(C(=O)N3CCc4c([nH]c(C)n4)-c5ccccc35)cc2)C	610
+CC(C)(C)CCN1CCN(CC1)C(=O)CCc2ccc(C(=O)O)cc2C	1
+CC(C)(C)CCN1C(C(=C(C(=N1)c2cccs2)O)C3=NS(=O)(=O)c4c(N3)ccc([N+](=O)[O-])c4)=O	7124
+CC(C)(C)CCNC(C(CC(O)C(NC(=O)c1cc(O)cc(N2CCCC2=O)c1)Cc3ccccc3)C)=O	14
+CC(C)(C)CCNC(N(N=O)CCCl)=O	7125
+CC(C)(C)CCNC(Nc1c(F)cc(C)c(c1)-c2c(nc3c(cnc(N)n3)c2)C)=O	4048
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(nc3cc(N)ncc3c2)C)c1)F)=O	1670
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(C)nc3c(cnc(NC(C)=O)c3)c2)c1)F)=O	7126
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(nc3cc(NC(OC(=C)C)=O)ncc3c2)C)c1)F)=O	7127
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(nc3c(c2)cnc(c3)NC(=O)N(C)C)C)c1)F)=O	7128
+CC(C)(C)CCNC(Nc1cc(-c2cc3cnc(NC)nc3nc2C)c(Br)cc1F)=O	785
+CC(C)(C)CCc1c(OCc2cccc(C(CC(=O)O)C3CC3)c2)ccc(-c4cc(ccc4F)OC)c1	3
+CC(C)(C)Cn1c2c(cc(OCC=C)cc2)cc1	557
+CC(C)(C)COc1cnc(cc1)Cl	788
+CC(C)(C)OC(NC(C(O)CC(C)C(=O)NCC(C)(C)C)CN1CC(=O)N(CC1(C)C)c2cc(F)ccc2Cl)=O	248
+CC(C)(C)OC(NC(CN1C(C)(C)CN(C(C1)=O)c2c(C)cccc2)C(CC(CC)C(NCC(C)(C)C)=O)O)=O	248
+CC(C)(C)CNCc1cc2c(cc1)n(CC3N(CCC3)C(=O)CC#N)c(NC(c4sc(C(F)F)cc4)=O)n2	42
+CC(C)(C)CNS(=O)(=O)c1c(ccc(Oc2c(C)cc(cc2C)[N+]([O-])=O)c1)OCc3ccccc3	71
+CC(C)(C)CNC(=S)Nc1cccnc1	7129
+c1cc(ccc1)C(c2ccccc2)(CNC(OC(C)(C)C)=O)CNCC(C)(C)C	110
+CC(C)(C)CN1c2c(C(c3c4c(ccc3)cccc4)SC(C1=O)CC#N)cc(cc2)Cl	143
+CC(C)(C)CN1C(=O)C(OC(c2cc(Cl)ccc12)c3cccc(c3OC)OC)CC#N	143
+CC(C)(C)CN1c2ccccc2CN(C(CC(=O)NCc3c(F)cccc3)C1=O)C(C4=CC([N+](=O)C=C4)=C=[N-])=O	7130
+CC(C)(C)CN1c2ccc(Cl)cc2C(c3cccc(c3OC)OC)OC(C1=O)Cc4noc(CCCCC(=O)OC)n4	2750
+CC(C)(C)CN1C(=O)C(OC(c2c1ccc(Cl)c2)c3cccc(c3OC)OC)CC(NO)=N	409
+CC(C)(C)CN1C(=O)C(CC(=O)N)SC(c2c3c(ccc2)cccc3)c4cc(ccc14)Cl	83
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3cc(CC#N)ccc3C)n2)=O	163
+CC(C)(C)CN1C(N(C)c2c1ccc(-c3cc(ccc3C)CCN)n2)=O	51
+CC(C)(C)CN1C(N(C)c2nc(-c3c(C)ccc(CO)c3)ccc12)=O	88
+CC(C)(C)CN1C(N(C)c2nc(-c3c(ccc(c3)COC)C)ccc12)=O	49
+CC(C)(C)CN1C(=O)N(C)C(=O)C=C1N	3996
+CC(C)(C)CN1C(=O)C(CC(N)=O)OC(c2cccc(c2OC)OC)c3c1ccc(Cl)c3	83
+CC(C)(C)CN1c2ccc(cc2C(SC(Cc3nnn[nH]3)C1=O)c4cccc5ccccc45)Cl	4049
+CC(C)(C)CN1C(=O)C(N(Cc2ccccc12)C(=O)c3cc[n+](cc3)[O-])CC(=O)NCc4c(F)cccc4	103
+CC(C)(C)CN1c2c(CN(C(CC(=O)NCc3c(F)cccc3)C1=O)C(c4ccnc(C#N)c4)=O)cccc2	7131
+CC(C)(C)CN1C(N)=CC(NC1=O)=O	7132
+CC(C)(C)CNC(c1ccc(-c2cc(C(=O)NCC(O)C)cc(F)c2C)c(C(=O)N)c1)=O	14
+CC(C)(C)CNC(=O)c1cc(C(N)=O)c(-c2c(c(cc(c2)C(=O)O)F)C)cc1	153
+CC(C)(C)CN1C(N(c2cccnc2)C(=O)C1=O)=S	7133
+CC(C)(C)CNC(=O)c1cc(c(cc1)-c2cc(C(OC(C)(C)C)=O)cc(F)c2C)C(N)=O	169
+CC(C)(C)CNCc1cc2c(cc1)n(c(NC(c3sc(C(F)F)cc3)=O)n2)CC4CCCN4C(=O)C(=CC(C)C)C#N	847
+CC(C)(C)CNS(=O)(=O)c1c(ccc(Oc2c(cc(cc2C)N)C)c1)OCc3ccccc3	0
+CC(C)(C)CNc1c(cnc(n1)C#N)C#CCN2Cc3ccccc3CC2	7134
+CC(C)(C)COC(c1cc(c(N2CCC(CC2)C(=O)OC(C)(C)C)nc1C)C#N)=O	342
+CC(C)(C)COS(=O)(=O)c1c(C)ccc(c1)[N+]([O-])=O	1226
+CC(C)(C)COC(c1cc(C#N)c(nc1C)N2CCC(CC2)C(=O)O)=O	32
+CC(C)(C)COS(=O)(=O)c1cc([N+]([O-])=O)ccc1C=Cc2ccc(cc2)[N+](=O)[O-]	1265
+CC(C)(C)COS(=O)(=O)c1c(CP(OCC)(OCC)=O)ccc(c1)[N+](=O)[O-]	590
+CC(C)(C)COc1cnc(cc1)NN	383
+CC(C)(C)COc1cnc(N2NC=C(C2=O)n3nncc3)cc1	4050
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3nc(CC(C)(C)C)c(cc3)-c4cc(OC)ccc4F	7135
+CC(C)(C)Cc1nc(CCl)ccc1-c2cc(OC)ccc2F	3961
+CC(C)(C)Cc1c(ccc(n1)COc2cccc(c2)C(CC(=O)O)C3CC3)-c4cc(OC)ccc4F	4
+CC(C)(C)Cc1cn(cn1)S(=O)(=O)N(C)C	2752
+CC(C)(C)Cc1ccc(c(Br)c1)CC(C)C(=O)Cl	130
+CC(C)(C)Cc1ccc2C(=O)c3ccccc3C(c2c1)=O	358
+CC(C)(C)Cc1ccc(cc1)C(c2ccccc2C(=O)O)=O	1943
+CC(C)(C)Cc1cn(c(n1)C=O)S(=O)(=O)N(C)C	1378
+CC(C)(C)Cc1c2c(oc1)cc(O)cc2	5
+CC(C)(C)Cc1n(c2c(cc(C(O)=O)cc2)n1)CC3CC3	1
+CC(C)(C)Cc1n(c2ccc(cc2n1)CO)CC3CC3	49
+CC(C)(C)Cc1nc2c(ccc(CCl)c2)n1CC3CC3	229
+CC(C)(C)Cc1nc(C2(CC2)N)cs1	7136
+CC(C)(C)OC(NC(Cc1cc(F)cc(F)c1)C(O)CNC2(CC2)c3csc(n3)CC(C)(C)C)=O	122
+CC(C)(C)Cc1nc(COc2cc(cc(CCC(=O)O)c2)OC)ccc1-c3cc(ccc3F)OC	3
+CC(C)(C)Cc1nc(ccc1-c2cc(ccc2F)OC)COc3c(F)ccc(C(CC(=O)O)C4CC4)c3	4
+CC(C)(C)Cc1nc2cc(ccc2n1CC3CC3)CSC(C)C	1672
+CC(C)(C)Cc1onc(c1)-c2onc(c2C3CC3)C(CCCO)CC(Nc4ccc(Cl)cc4Cl)=O	118
+CC(C)(C)Cc1onc(c1)-c2c(c(C(CCCOCc3ccccc3)CC(Nc4ccc(Cl)cc4Cl)=O)no2)C5CC5	33
+CC(C)(C)Cc1onc(c1)-c2c(C3CC3)c(no2)C(CC(Nc4ccc(Cl)cc4Cl)=O)CCC(O)=O	4052
+CC(C)(C)c1cc2ccc3cccc4ccc(c1)c2c34	2753
+CC(C)(C)c1ccc(cc1)NC(=O)C	2753
+CC(C)(C)Cn1ccc2c(CC=C)c(ccc12)O	4053
+CC(C)(C)Cn1c(nc2cnc(C#N)nc12)C	738
+CC(C)(C)Cn1ccc2c(CCC)c(ccc12)O	732
+CC(C)(C)c1cc(c(c(S(=O)(=O)NC(C)(C)C)c1)OC)[N+](=O)[O-]	71
+CC1(C)OB(OC1(C)C)c2c3c(ccc2CNC(C)(C)C)cccc3	370
+CC(C)(C)Nc1nc(SC)ncc1C(OCC)=O	40
+C[Si](C)(C)CCOCn1c2nc(C)c(Br)nc2c(c1)C(NC(C)(C)C)=O	484
+C[Si](C)(C)CCOCn1c2ncc(nc2c(C(NC(C)(C)C)=O)c1)Br	484
+CC(C)(C)Nc1nc(c(cn1)Br)SC	96
+CC(C)(C)Nc1cc(C(F)(F)F)c([N+]([O-])=O)cc1	60
+CC(C)(C)NC=1C(C(=O)C=1OCC)=O	7137
+CC(C)(C)NCC(O)COc1ccccc1-c2ccc(nn2)Cl	122
+CC(C)(C)NCc1c(cc(cc1)-c2cnc3ccc(nn23)NCCCC)F	42
+CC(C)(C)NC(=O)CC1CCN(CC1)c2nc(ccc2NC(=O)c3cc(Cl)ccc3)S(=O)(=O)C	9
+CC(C)(C)NS(=O)(=O)c1cc(S(=O)(=O)Cl)ccc1	71
+CC(C)(C)NS(=O)(=O)c1cc(Br)cnc1N	1362
+CC(C)(C)NS(=O)(=O)c1cn(C)c(C(OC)=O)c1	1362
+CC(C)(C)NC(c1cncc(c1)Oc2c(cc(cc2)[N+](=O)[O-])Cl)=O	56
+CC(C)(C)NC(=O)C(c1cn(c(C(Nc2cc(c(F)cc2)C)=O)c1)C)=O	2754
+CC(C)(C)Nc1nc(cc2ccnc(O)c12)Cl	4054
+CC(C)(C)Nc1ncccc1C(=O)Nc2c(Nc3cccc(c3F)F)ccnc2	182
+CC(C)(C)NC1=C(C(=O)C1=O)Nc2c(C)cccc2O	993
+CC(C)(C)Nc1n(c2c(cc(c(c2)Cl)Cl)n1)C3CC(CO)C(O)C3O	7138
+CC(C)(C)Nc1nc(nc(Cl)c1)N	40
+CC(C)(C)NC=1N(CC)C(=O)c2cccc(Br)c2N=1	7139
+CC(C)(C)NC(c1cc(-c2ncc(C)cc2)n(-c3cccnc3)n1)=O	81
+CC(C)(C)Nc1ccc(cc1[N+]([O-])=O)Br	60
+CC(C)(C)Nc1cc(Br)ccc1[N+]([O-])=O	60
+CC(C)(C)NC(=O)c1cc(CCl)ccc1	93
+CC(C)(C)NC(=O)c1ncc(cc1)O	81
+CC(C)(C)NC(=O)c1cnn2ccc(nc12)N3CCCC3c4cc(ccc4F)F	1339
+CC(C)(C)Nc1cc(nc(Cl)n1)-c2ccccc2	40
+CC(C)(C)Nc1ccccc1	250
+CC(C)(C)NCC(O)COc1ccc2c(C(=O)C=C(c3cc(c(cc3)OCc4ccccc4)OCc5ccccc5)O2)c1	122
+c1cc(ccc1)COc2cc(cc(OCc3ccccc3)c2)C4=CC(c5c(O4)cc(cc5)OCC(O)CNC(C)(C)C)=O	122
+CC(C)(C)NCC(COc1ccc(cc1)C2(C(N(C)c3c(S2)cccc3)=O)C#N)O	122
+CC(C)(C)Nc1ccc(cc1)[N+](=O)[O-]	60
+CC(C)(C)NC(=O)C1(CCC1)c2cc3c(nc(nc3C(N4Cc5ccccc5C4)=O)N)cc2	9
+CC(C)(C)NC(=O)c1c(N)c2c(nc(-c3ccccc3)nc2-c4cccc(N)c4)s1	227
+c1ccccc1C(c2ccccc2)N3CCN(CC3)C(C4C(CNC(C)(C)C)C4)=O	110
+CC(C)(C)N(C(=O)C(OCC)=O)CCCCCC=O	24
+CC(C)(C)N(C(=O)C(OCC)=O)CCCCCC#C	1596
+CC(C)(C)N1C(C(=C(S1(=O)=O)c2ccccc2)NCCCOc3cnccc3)=O	458
+CC(C)(C)N1C(C(C(=O)NCC(=O)O)C(=O)N(Cc2c(cccc2)Br)C1=O)=O	3
+CC(C)(C)N1N=CC(=C(CO)C1=O)Cl	7140
+CC(C)(C)N1N=CC(=C(Cl)C1=O)OCc2ccc(cc2)OCC(O)C	7141
+CC(C)(C)N1C(C(=C(S1(=O)=O)c2ccccc2)NCCCOc3ccc[n+]([O-])c3)=O	103
+CC(C)(C)N1C(N(C2CCN(CC2)Cc3cnc(cc3)Oc4ccc(cc4)-c5[nH]nnn5)C(C1)c6ccccc6)=O	424
+CC(C)(C)N1C=C(C(=O)c2cc(I)ccc12)C(NCc3ccc(cc3)Cl)=O	1267
+CC(C)(C)N1CC(C1)Oc2cc(C)nc3c(c(nn23)-c4ccccc4Cl)-c5ccc(cc5)Cl	4055
+CC(C)(C)NCC(COc1ccc(cc1)N)O	7142
+CC(C)(C)N1CC(C1)O	118
+CC(C)(C)N1C(N(C2CCN(CC2)Cc3cnc(cc3)Oc4ccc(cc4)C#N)C(C1)c5ccccc5)=O	619
+CC(C)(C)N1CCC(CC1)NCc2ccccc2	87
+CC(C)(C)N1CCC(CC1)N	273
+CC(C)(C)N1N=CC(Cl)=C(C1=O)CO[Si](C)(C)C(C)(C)C	947
+CC(C)(C)c1ccc(cc1)CSC2=C(CO)C(=O)N(N=C2)C(C)(C)C	2755
+CC(C)(C)N1N=CC(=C(CO[Si](C)(C)C(C)(C)C)C1=O)SCc2ccc(cc2)C(C)(C)C	7143
+CC(C)(C)N1c2ccc(CCCO)cc2C(=O)C(C(NCc3ccc(cc3)Cl)=O)=C1	213
+CC(C)(C)N1C(CC(N(C1=O)Cc2c(Br)cccc2)=O)=O	1984
+CC(C)(C)NC(N1CCn2c(c(-c3ccccc3)c(C#N)c2C1)Cl)=O	384
+CC(C)(C)NC(=O)Oc1ccc(cc1)CCOc2ccc(cc2)C=O	1890
+CC(C)(C)NC(=S)N1CCC(CC1)OC(c2ccccc2Cl)c3ccc(cc3)Cl	1383
+CC1(C)C(C)(C)OB(O1)CCCCC(NC(=O)C)(C(NC(C)(C)C)=O)C2CCN(CC2)C(=O)OCc3ccccc3	7144
+CC(C)(C)NC(CN1C(c2cc(ccc2C=C1c3cc(c(F)cc3)OC)O)=O)=O	686
+CC(C)(C)NC(=O)Oc1ccc(cc1)CCOc2ccc(cc2)CC3SC(NC3=O)=O	534
+CC(C)(C)NC(=O)Oc1ccc(cc1)CCOc2ccc(cc2)C=C3C(NC(=O)S3)=O	377
+CC(C)(C)NC(c1sc2c(c1N)c(nc(n2)-c3ccccc3)-c4cc(ccc4)NC(Oc5ccc(cc5)[N+](=O)[O-])=O)=O	90
+CC(C)(C)NC(c1cc(CN2C(C)(C)CN(C(=O)c3ccc(N)c(c3)F)CC2)ccc1)=O	171
+CC(C)(C)NC(=O)c1ncc(Oc2ccc(Nc3c4n(CCOC(c5ccccc5)=O)ccc4ncn3)cc2Cl)cc1	1190
+CC(C)(C)NC(=O)c1ncc(Oc2ccc(Nc3ncnc4c3n(CCO)cc4)cc2Cl)cc1	682
+CC(C)(C)NC(=O)c1ncc(Oc2ccc(N)cc2Cl)cc1	0
+CC(C)(C)NC(=O)c1ncc(Oc2ccc(cc2Cl)[N+](=O)[O-])cc1	551
+CC(C)(C)NC(=O)c1n2CCNCc2nn1	4057
+CC(C)(C)NC(C1(CCNCC1)C2CCCCC2)=O	62
+CC(C)(C)NC(=O)C1(CCN(CC1)C(C2C(CC(=C)C2)c3ccc(F)cc3F)=O)C4CCCCC4	10
+CC(C)(C)NC(CCC(N1CCC(CC1)N2c3c(cccc3)CCc4ccccc24)=O)=O	10
+CC(C)(C)NC(CN1C(=O)C(N)CC(c2ccccc2)c3c1cccc3)=O	1584
+CC(C)(C)NC(=O)CN1C(C(CC(c2c1cccc2)c3ccccc3)NC(=O)Nc4cccc(C)c4)=O	1631
+CC(C)(C)NC(CN1C(=O)C(CC(c2ccccc12)c3ccccc3)N=[N+]=[N-])=O	4058
+CC(C)(C)NC(N1Cc2n(CC1)c(Cl)c(-c3ccccc3)c2C(=O)N)=O	745
+CC(C)(C)NC(N1Cc2n(cc(-c3ccccc3)c2C(N)=O)CC1)=O	1866
+CC(C)(C)NC(c1cncc(c1)Oc2c(cc(N)cc2)Cl)=O	0
+CC(C)(C)NC(c1sc2c(c(nc(n2)-c3ccccc3)-c4cc(ccc4)NC(=O)N(C)C)c1N)=O	468
+FC(F)(F)c1cccc(CNC=2C(C(=O)C=2NC(C)(C)C)=O)c1	993
+CC(C)(C)NC1=Nc2c(cccc2-c3cc4C(NC(c4[nH]3)C)=O)C(=O)N1CC	7145
+CC(C)(C)NCC(O)COc1c(C2=NNC(=O)CC2)ccc(c1)C	2756
+CC(C)(C)NCC(O)COc1cc2C(C=C(Oc2cc1)c3cc(c(cc3)O)O)=O	16
+CC(C)(C)NCC(O)COc1c(C=2CCC(=O)NN=2)cc(cc1)OC	2756
+CC(C)(C)NCC(O)COc1ccc(cc1C2=NNC(=O)CC2)NC(C)=O	2756
+CC(C)(C)NCC(COc1ccc2c(c1)C(C=C(c3ccc(c(c3)OCc4ccccc4)O)O2)=O)O	16
+CC(C)(C)n1nc(cc1-c2ccc(cc2)F)C(OCC)=O	2054
+CC(C)(C)n1nc(-c2ccncc2)c3CC(C(OC)=O)CCc13	7146
+CC(C)(C)NNC(=O)c1ccccc1	1798
+CC(C)(C)N(C(c1ccncc1)=O)NC(=O)c2ccccc2	7147
+c1cc(ccc1CC2=C(CCCC)N=C(N(c3ncc(cn3)OC)C2=O)C)-c4c(cccc4)S(=O)(=O)N	627
+c1cc(ccc1-c2c(cccc2)S(=O)(=O)N)CN3C(=O)N(N=C3CCCC)c4c(Cl)cccc4	627
+c1cc(ccc1-c2c(cccc2)S(=O)(=O)N)CN3C(=O)N(N=C3CCCC)c4c(ccc(C(=O)OC)c4)Cl	627
+O=S(=O)(c1c(C(OC)=O)ccc(CCNC(=O)OC)c1)N	627
+O=S(=O)(c1c(C)nc(NC(C)=O)s1)N	627
+O=S(=O)(N)c1c(OC)cccc1I	627
+CC(C)(C)NS(=O)(=O)c1c(cc(CC(C)C)s1)-c2cc(ccc2)Cn3nccc3	309
+CC(C)Cc1sc(S(=O)(=O)NC(OCCCC)=O)c(-c2cc(ccc2)Cn3nccc3)c1	7148
+c1cc(ccc1-c2c(S(=O)(=O)N)sc(c2)CCCC)Cn3ccnc3	627
+CC(C)(C)NS(=O)(=O)c1c(cc(CCCC)s1)-c2ccc(cc2)Cn3ccnc3	1384
+CC(C)(C)NS(=O)(=O)c1cc(ccc1S(=O)(=O)CC)NC=O	753
+CC(C)(C)NS(=O)(=O)c1c(ccc(N)c1)S(=O)(=O)CC	0
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)CNCCCC	370
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CN3C(=O)N(N=C3CCCC)c4c(ccc(C(=O)OC)c4)Cl)cccc1	4059
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CN3C(=O)N(N=C3CCCC)c4c(Cl)cccc4)cccc1	7149
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CN3C(CCCC)=NN(c4c(Cl)ccc([N+](=O)[O-])c4)C3=O)cccc1	4059
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)CN(CCCC)C(Cl)=O	2703
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)NCc3cnc(C)c(O)c3CO	7150
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)NCc3c(CO)c(OCc4cc(ccc4)C#N)c(nc3)C	483
+CC(C)(C)NS(=O)(=O)c1cccc(c1)-c2ncn(-c3nc(-c4ccc(c(c4)Cl)Cl)cc(C)n3)c2	7151
+CC(C)(C)NS(=O)(=O)c1c(C(OC)=O)ccc(CCN)c1	51
+O=S(=O)(CC)c1ccc(cc1S(=O)(=O)N)NC=O	627
+O=S(=O)(N)c1cc(Br)cn2c1nc(C)c2	627
+O=S(=O)(c1cc(-c2c3cccc(c3c(NCc4ccccn4)nn2)-c5ccccc5)cnc1)N	627
+O=S(=O)(c1cccc(-c2ncn(-c3nc(-c4ccc(c(c4)Cl)Cl)cc(C)n3)c2)c1)N	627
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)NCc3c4c(OC(C)(C)OC4)c(nc3)C	2116
+CC(C)(C)NS(=O)(=O)c1ccccc1-c2ccc(-c3ncc(nc3)N)c(c2OC)F	11
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CC3=C(CCCC)N=C(N(c4ncc(cn4)OC)C3=O)C)cccc1	11
+CC(C)(C)NS(=O)(=O)c1cn(C)c(c1)C(=O)Nc2cc(c(cc2)F)C#N	2337
+CC(C)(C)NS(=O)(=O)c1c[nH]cc1	4061
+CC(C)(C)Nc1ncc2CCC3N(CC(C(=O)OC)CC3)C(=O)c2c1	174
+CC(C)(C)n1c2c(cc(-c3cnc(nc3)N)cc2)nc1-c4c(ccc(Cl)c4)-n5nc(cc5)C	1301
+CC(C)(C)n1c2c(nc1-c3c(ccc(Cl)c3)-c4nc(C)no4)cc(-c5cnc(nc5)N)cc2	1301
+CC(C)(C)Nc1c(N)cc(cc1)-c2cnc(nc2)N	0
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3cc(ncn3)OC4CCNCC4	2
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3ncnc(OC4CCN(CC4)C(=O)OC(C)(C)C)c3	346
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(Nc3cc(-c4c[nH]nc4C(F)(F)F)ncn3)n1	346
+CC(C)(C)Nc1c(N)ccc(Br)c1	0
+CC(C)(C)Nc1cc(nc(Nc2ccc(cc2)C3(CCC3)c4ncco4)n1)-c5ccccc5	55
+CC(C)(C)n1c2c(nc1-c3c(C#N)cccc3)cc(cc2)Br	1301
+C[Si](C)(C)C#Cc1c(ccc([N+](=O)[O-])c1)NC(C)(C)C	263
+CC(C)(C)Nc1c([N+]([O-])=O)cc(-c2cnc(nc2)N)cc1	1629
+CC(C)(C)N(N=O)c1ccccc1	2708
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3ncnc(CC)c3	2651
+CC(C)(C)Nc1nc(SC)ncc1C(=O)N	2757
+CC(C)(C)Nc1nc(SC)ncc1C(=O)O	6
+CC(C)(C)Nc1ncc(C#N)c(SC)n1	3635
+CC(C)(C)Nc1nc(S(=O)C)c(C(=O)N)cn1	3634
+CC(C)(C)Nc1cc(nc([n+]1[O-])N)Cl	2758
+CC(C)(C)Nc1nc(c(cn1)C(N)=O)SC	2529
+C1(C(OC)=O)CN2C(c3cc(ncc3CCC2CC1)N)=O	2759
+n1c2c(n(c1-c3cccnc3N)-c4cccc(c4F)F)ccnc2	2759
+n1n(c(-c2cccnc2N)nn1)-c3cccc(c3F)F	2759
+CC(C)(C)Nc1ncccc1-c2n(c3ccncc3n2)-c4cccc(F)c4F	7152
+CC(C)(C)OC(=O)N1CC(C(CC1)c2ccc(cc2)F)C(=O)O	1329
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(CC(CO)O)cn2)F)=O	2760
+CC(C)(C)OC(Nc1c(NC(OC(C)(C)C)=O)sc(SC)c1C#N)=O	2724
+CC(C)(C)Oc1cccc(c1C(=O)O)Cl	789
+CC(C)(C)c1nc(C(=O)O)c(Cl)c(N)c1F	4063
+CC(C)(C)c1cc(NC(OC(C)(C)C)=O)cc(C#N)c1	7153
+CC(C)(C)OC(=O)Nc1ccc(nc1)C(C)C	1291
+CC(C)c1n(c2c(ccc(C(OCC)=O)c2)c1C(=O)O)Cc3ncco3	2762
+CC1(C)C(N(c2c(cc(cc2)C(=O)O)N(C)C1=O)CC)=O	789
+CC(C)(C)OC(=O)NCCc1ccc2c(c1)N(C)C(C(C)(C)C(=O)N2CC)=O	1590
+CC1(C)CC(CC(C)(C)N1OCC(C)(C)O)=O	7154
+CC(C)(C)OC(=O)Nc1c(N(C)C)ncc([N+](=O)[O-])c1	1291
+CC(C)(C)OC(=O)Nc1c(C)nn(-c2cnccc2)c1	4064
+CC(C)(C)OC(=O)Nc1c(c(cc(C)c1)Br)F	673
+CC(C)(C)OC(=O)Nc1c(-c2ccccc2C)nc(C)s1	7155
+Clc1cccc(c1)C(O)CO	4065
+CC(C)(C)OC(=O)Nc1ccc(nc1)C(F)(F)Cl	1291
+FC(F)(F)c1cc(C(C)(C)C)ccc1O	957
+FC(F)Oc1c(CC(=O)O)c(C)cc(C)c1	1329
+[N+]([O-])(=O)c1ccccc1-c2n(c3c(cccc3)n2)CC(CO)O	2760
+c1c(c(OC)cc2c1N(C(=O)OC2)C)CC(CO)O	2760
+c1cc(ccc1C(CO)O)Cl	4065
+c1cc(ccc1Cn2c3c(ccc(c3)C(CO)O)cn2)OC	7156
+CC(C)(C)OC(=O)Nc1c(c(c(F)cc1)Cl)Cl	673
+COc1c(C(=O)O)c(C)cc(c1)Br	789
+COc1c(c(F)cc(c1)Br)C(=O)O	789
+c1(F)cc(cc([N+]([O-])=O)c1C(=O)O)Br	789
+CC(C)(C)OC(Nc1cc2c(cc1)ccc(c2)S(=O)(=O)C)=O	2117
+CC(C)(C)OC(Nc1c(Oc2cccc(C#N)c2)nc(-c3cnccc3)nc1)=O	4066
+CC(C)(C)OC(=O)Nc1c(c(Cl)ncc1)F	7157
+CC(C)(C)OC(=O)Nc1c(c(ccc1)OC)[N+](=O)[O-]	673
+CC(C)(C)OC(=O)Nc1cnc(nc1Oc2c(cccc2)C)SC	4066
+CC(C)(C)OC(=O)Nc1c2CCCC(=O)c2sc1	4067
+CC(C)(C)OC(=O)Nc1cc2c(CC3(c4c(cccc4)NC3=O)C2)cc1	673
+CC(C)(C)OC(Nc1ncc2c(cn(c2c1)CC)Br)=O	7158
+CC(C)(C)OC(Nc1cc(Br)cc(n1)C(OC)=O)=O	1673
+c1(cc(cc(Cl)c1Oc2ccc(c(C(O)=O)c2)OC)[N+](=O)[O-])Cl	789
+CC(C)(C)OC(Nc1cc(F)c(c(c1)F)CSc2n(c(cn2)C(C)(C)c3ccc(Cl)c(OC)c3)-c4ccc(cc4)F)=O	673
+CC(C)(C)OC(=O)Nc1ccc2c(c(OC)ccc2Br)n1	7159
+c12c(C)cccc1c(ccc2C(=O)O)OC	789
+CC(C)(C)OC(=O)Nc1nccc2COCc12	1673
+CC(C)(C)OC(Nc1cc2c(ccc(C(C)=O)c2)cc1)=O	2117
+CC(C)(C)OC(Nc1cc(ccc1)CC2CCCC=C2c3oc(c(-c4ccccc4)n3)-c5ccccc5)=O	7160
+CC(C)(C)OC(Nc1nc(cc(Cl)c1)-c2ccccc2)=O	1673
+CC(C)(C)OC(Nc1cc(C=2C=CC(=O)N(C(C)C)N=2)c(nc1)-c3ccccc3)=O	1291
+CC(C)(C)OC(Nc1c(scc1)-c2ccccc2)=O	4067
+CC(C)(C)OC(NCC(c1cc2cc[nH]c2cc1)c3ccccc3)=O	1590
+CC(C)(C)OC(Nc1cc(c2c(cc(C#N)cc2)c1)OCc3ccccc3)=O	2117
+CC(C)(C)OC(Nc1cc(cc(c1)OCc2ccccc2)OCCCCCCCCCCCCCCCCCC)=O	673
+CC(C)(C)OC(=O)Nc1cc(Cl)c(CSc2ncc(n2-c3ccc(cc3)F)C(C)(C)c4ccc(c(OC)c4)Cl)c(F)c1	673
+CC(C)(C)OC(=O)Nc1ncc(C)c(C(S(=O)(=O)c2ccc(cc2)Cl)c3c(F)ccc(F)c3)c1	1673
+CC(C)(C)OC(=O)Nc1cc(c(c(Cl)c1)CCc2n(-c3ccc(cc3)F)c(C(C)(C)c4cc(c(cc4)Cl)OC)cn2)F	673
+CC(C)(C)OC(NC1CC1c2cccc(C(=O)OC)c2)=O	7161
+CC(C)(C)OC(Nc1sc(cc1)C(=O)c2ccccc2)=O	2724
+CC(C)(C)OC(=O)Nc1nccc(c1)Oc2ccc(NC(=O)OCc3ccccc3)cc2F	1673
+CC(C)(C)OC(=O)Nc1c(cc2c(cc(cc2)OCc3ccccc3)c1)OCc4ccccc4	673
+CC(C)(C)OC(=O)Nc1c(nn(-c2cnccc2)c1)Cl	4064
+c1cc(ccc1-c2nnc(-c3ccccc3[N+](=O)[O-])o2)C(=O)O	789
+c1cc(ccc1Cc2c(c(c(Cl)c(C(O)=O)n2)N)F)F	4063
+c1cc(ccc1F)CCCC(=O)O	1329
+c1cc(ccc1Cl)Sc2sc(C(O)=O)cc2	7162
+CC(C)(C)OC(=O)C1CNC(=O)N1C(=O)OCc2ccccc2	2761
+n1ccc(cc1O)-n2cc(nc2C)C#Cc3cccc(C)c3	7163
+CC(C)(C)OC(=O)C(Br)CCC(=O)OCc1ccccc1	7164
+CC(C)(C)OC(=O)Cc1cc(F)cc(N)c1[N+]([O-])=O	2763
+CC(C)(C)OC(Cc1cc(c(cc1F)C#N)F)=O	2763
+CC(C)(C)OC(=O)C(C(C)C)NCc1c(F)cnc2n(cc(C(O)=O)c12)S(=O)(=O)c3ccc(cc3)C	1528
+CC(C)(C)OC(C(N1C(c2c[nH]c3ncc(c(C1)c23)F)=O)C(C)C)=O	392
+CC(C)(C)OC(=O)C(C(C)C)N1C(=O)c2cn(c3ncc(c(C1)c23)F)S(=O)(=O)c4ccc(cc4)C	7165
+CC(C)(C)OC(=O)C(NS(=O)(=O)c1ccc(cc1)Sc2cccc(C)c2)C(C)C	815
+CC(C)(C)OC(C(CCN1C(N(C(=O)C=C1)C)=O)C(CCc2ccc(cc2)I)OCc3ccc(cc3)OC)=O	7166
+CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1c(c(N)cc(F)c1)[N+]([O-])=O	623
+CC(C)(C)OC(=O)C(C)(C)Oc1c(cccc1)CC(N)=O	517
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)C=O)=O	517
+CC(C)(C)OC(C(C)(C)Oc1c(ccc(OC)c1)C(c2ccc(cc2)OCc3ccccc3)=O)=O	517
+c1cc(ccc1CC(C)(C)C(=O)O)CN(CC(=O)Nc2c(C)cc(C)cc2)Cc3ccco3	32
+CC(C)(C)OC(=O)C(C)(C)Cc1ccc(cc1)CN(Cc2occc2)CC(O)=O	3
+CC(C)(C)OC(=O)C(C)(C)Cc1ccc(cc1)CN(CC(=O)Nc2c(C)cc(C)cc2)Cc3ccco3	33
+CC(C)(C)OC(=O)C(C)(C)Cc1ccc(cc1)CN(CC(=O)OCC)Cc2ccco2	303
+CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1CCN	15
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(ccc1)CCCO	21
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(CCC(O)=O)ccc1	3
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(ccc1)CCCN2C(=O)c3ccccc3C2=O	896
+CC(C)(C)OC(=O)C(C)(C)Oc1cccc(CCCN)c1	45
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(CCCOS(=O)(=O)C)ccc1	7
+CC(C)(C)OC(=O)C(C)(C)Oc1cc(CCC(OCC)=O)ccc1	159
+CC(C)(C)OC(C(C)(C)Oc1cccc(CCCNc2oc3c(cccc3)n2)c1)=O	1527
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(O)=O	1
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(OCc2nnn(Cc3ccccc3)c2)=O	47
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(=O)OC(C2=NN(C(=O)N2CCC)Cc3ccc(cc3)C)C	47
+c1cc(ccc1SC(C)(C)C(=O)O)C(OCc2nnn(Cc3ccccc3)c2)=O	32
+c1cc(ccc1[N+](=O)[O-])-c2ccc(cc2)OCCc3nc(sc3)SC(C)(C)C(=O)O	32
+CC(C)(C)OC(=O)C(C)(C)Sc1scc(CCNCCCCCCC)n1	15
+CC(C)(C)OC(=O)C(NC(CO)c1ccc(cc1)C#N)C	7167
+CC(C)(C)OC(=O)C(C)NC(CC(O)C(CC(C)C)NC(=O)OCc1ccccc1)=O	188
+Clc1ccc(C#N)c(C2=CC(=O)N(C(C(=O)O)C)C=C2)c1	32
+c1ccccc1COC(=O)NC(C(CC(=O)NC(C(O)=O)C)O)CC(C)C	32
+CC(C)(C)OC(=O)C(C)ON=C(C(O)=O)c1ccc(c(c1)Cl)O	4069
+c1cc(ccc1)CCN2CCC(C(C(=O)O)CNS(=O)(=O)c3ccc(cc3)OC)(CC(C)C)C2=O	32
+C(C)C=CCC=CCC=CCC=CCC=CCCCCOC(C(O)=O)CC	32
+CC(C)(C)OC(=O)C(C(CCc1ccc(cc1)I)OCc2ccc(cc2)OC)CCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)C(CCO)C(CCc1ccc(cc1)I)OCc2ccc(cc2)OC	35
+CC(C)(C)OC(=O)C(C1(CCN(C1=O)CCc2ccccc2)CC(C)C)CNS(=O)(=O)c3ccc(cc3)OC	71
+CC(C)(C)OC(C(NC(OCc1ccccc1)=O)CNC(=O)c2ccc(cc2)CCC(=O)OC)=O	14
+CC(C)(C)OC(C(Cc1c[nH]c2c1cccc2)NC(=O)C(C)NC(OCc3ccccc3)=O)=O	188
+CC(C)(C)OC(=O)C(Cc1ccc(cc1)OCCCC(=O)OCC)NC(OCc2ccccc2)=O	8
+c1ccccc1COC(NC(C(=O)O)Cc2ccc(cc2)OCCCC(=O)NC3=NCCN3)=O	32
+CC(C)(C)OC(=O)C(Cc1ccc(cc1)OCCCC(=O)NC2=NCCN2)NC(OCc3ccccc3)=O	7168
+CC(C)(C)OC(=O)C(Cc1oc(C(Nc2ccccc2)=O)cc1)C(O)C	770
+c1ccccc1NC(=O)c2oc(CC(C(O)C)CO)cc2	2764
+CC(C)(C)C(NC(c1ccc(cc1)-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)=O)C(=O)OC(C)(C)C	259
+c1cc(ccc1OCC#CC)CC(C(O)=O)N	32
+CC(C)(C)OC(C(NS(=O)(=O)c1ccccc1)Cc2ccc(cc2)OCCCC(O)=O)=O	592
+CC(C)(C)OC(C(N1C(C(O)=O)CCC1)C2C(CC)CCN2)=O	4
+CCOC(C(CSCCCCCCC)NC(C(O)=O)C)=O	32
+CC(C)(C)[Si](C)(C)OCC(NC(C)C(=O)OC(C)(C)C)c1ccc(cc1)C#N	19
+c1c(cc2nonc2c1)Oc3ncccc3C(NCc4ccc(cc4F)OC(C(O)=O)C)=O	32
+c1cc(ccc1)COc2cc(CC(=O)OCC)cc(Br)c2	2763
+CC(C(=O)O)c1ccc2N(C(Sc2c1)=O)COC	32
+c1ccccc1-c2ccc3n(n2)c(C(c4ccc5c(c4)cc(OC)cn5)C)nn3	7169
+C1CCC(C1)C(C(=O)O)c2ccc(cc2)CN3C(=O)c4c(cccc4)C3	32
+CC(C)(C)OC(C1(CC1)Cc2cc(NCc3ccccc3)ccc2)=O	250
+CC(C)(C)OC(C1(CC1)Cc2cc(NCc3ccccc3)c(cc2)F)=O	250
+CC(C)(C)OC(C1(CC1)Cc2ccc(c(NC(C(NC(OCc3ccccc3)=O)C(C(F)(F)F)C)=O)c2)F)=O	33
+CC(C)(C)OC(C1(CC1)Cc2ccc(F)c(c2)NC(C(N3Cc4c(cccc4)CC3)C5=CCCC5)=O)=O	7170
+CC(C)(C)OC(=O)C1(CCOCC1)CN2CCC(CC2)C#[N+]CS(=O)(=O)c3ccc(cc3)C	1141
+CC(C)(C)OC(C1(CCOCC1)CN2CCC(CC2)C#N)=O	881
+CC(C)(C)OC(=O)C1C(CN(C1)C(OC(C)(C)C)=O)C=NO	410
+CC(C)(C)OC(=O)C1CN(CC1C(=NO)Cl)C(OC(C)(C)C)=O	1964
+CC(C)(C)OC(C1CC2(CCC1(CC2)CN)CN)=O	51
+CC(C)(C)OC(=O)C1CC2(CCC1(CC2)C(N)=O)CN	83
+CC(C)(C)OC(=O)C1(CC1)Cc2cc(ccc2)Br	7171
+CC(C)(C)OC(=O)C1C2(CCC(CC2)(CN)C1)C#N	143
+CC(C)(C)OC(=O)C1CCN(CC1)c2c(C#N)cc(C(=O)O)c(n2)C	6
+CC(C)(C)OC(=O)C1CCN(CC1)c2c(C#N)cc(C(=O)OCC)c(n2)C	43
+CC(C)(C)OC(C1CN(C(N1C(=O)OCc2ccccc2)=O)CC)=O	7172
+CC(C)(C)OC(C1N(C(=O)C2N(C(C(NC(CSCCCCCCC)C(=O)OCC)C)=O)CCC2)CCC1)=O	348
+CC(C)(C)OC(=O)C1C(CCCCN1S(=O)(=O)c2ccc(cc2)OC)CO	21
+c1cc(ccc1OC)S(=O)(=O)N2C(C(COC(C)=O)CCCC2)C(O)=O	32
+CC(C)(C)OC(=O)C=1N2C(=O)C(NC(=O)Cn3c(S(=O)(=O)C)ncc3)C2SCC=1COC(C)=O	207
+O=S(=O)(c1n(CC(=O)NC2C3SCC(COC(C)=O)=C(C(O)=O)N3C2=O)ccn1)C	628
+CC(C)(C)OC(CCN1CCC(CC1)CN(C2C(c3scc(C(=O)Nc4sc(nn4)C)c3)C2)C(=O)C(F)(F)F)=O	3438
+CC(C)(C)OC(CCOCCOCCOCCO)=O	1615
+CC(C)(C)OC(CCNCCc1cc(F)ccc1)=O	1340
+CC(C)(C)OC(=O)C=Cc1ccc(OCCC)c(-c2nc(c3c(n2)n(nc3C)CCC)O)c1	233
+CC(C)(C)OC(CCOCCc1ccc2c(ccs2)c1)=O	1615
+CC(C)(C)OC(=O)C=Cc1ccc(cc1)-c2ccn(CC)n2	233
+CC(C)(C)OC(C=Cc1ccc(cc1)C=O)=O	233
+CC(C)(C)OC(C=Cc1ccc(cc1)Oc2c(sc3cc(ccc23)OC)-c4ccc(cc4)OC)=O	233
+CC(C)(C)OC(=O)C=Cc1c(cccc1)N2CCC3(CCC(CC3)C(=O)N)CC2	327
+C1CC2(CCC(CC2)C(=O)N)CCN1c3ccccc3C=CC(O)=O	628
+CC(C)(C)OC(C=Cc1cn(S(=O)(=O)Cc2ccccc2)cc1)=O	4070
+CC(C)(C)OC(=O)CCc1cc(Cl)cc(Cl)c1	159
+c12cc(C=CC(=O)O)cnc1NC(=O)C(C2)C(OC)=O	628
+c1(c(cc(cc1)C=CC(O)=O)-c2nc(c3c(n2)n(nc3C)CCC)O)OCCC	628
+c1cc(ccc1C=CC(=O)c2cc(c(F)cc2)F)C=CC(=O)O	628
+CC(C)(C)[Si](C)(C)Oc1ccc2c(nn(CC(=O)OC(C)(C)C)c2c1)I	1458
+CC(C)(C)[Si](C)(C)Oc1cc2n(cc(Cl)c2cc1)CC(=O)OC(C)(C)C	256
+CC(C)(C)OC(COCCN(C)C(=O)C1=C(c2ccc(cc2)C(C)(C)C)N(C)N(C1=O)c3ccc(cc3)C#N)=O	337
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CC(=O)OC(C)(C)C)c2cc3c(cc2)nccc3	4071
+CC(C)(C)OC(=O)Cn1c(ccc1-c2cc3C(C)(C)OC(=O)Nc3cc2)C#N	2318
+CC(C)(C)OC(=O)Cn1c(c(Sc2c(F)c(C(OCC)=O)ccc2)c3ccc(Cl)c(F)c13)Cl	256
+CC(C)(C)OC(Cn1ncc(C(OCC)=O)c1)=O	764
+CC(C)(C)OC(Cn1c2c(c(C3CCCCC3)c1[Si](C)(C)C)cc(cn2)C(=O)OC)=O	7173
+CC(C)(C)OC(=O)COCC1N(S(=O)(=O)c2c(C)cc(cc2C)OC)CCCC1	337
+CC(C)(C)OC(COc1c(cc(cc1)Cl)Br)=O	52
+CC(C)(C)OC(CN1C(=O)C=C(c2cc(ccc2Br)Cl)C3=C1CCC3=O)=O	7174
+CC(C)(C)OC(COc1c(C=O)cc(cc1)Cl)=O	52
+CC(C)(C)OC(CN1C(C=C(c2cc(Cl)ccc2C#N)C(Cl)=C1)=O)=O	7175
+CC(C)(C)OC(COc1cc(C(=O)OC)ccc1Cl)=O	52
+FC(F)(F)C(C=Cc1ccc(cc1)OCC(OC(C)(C)C)=O)=O	52
+FC(F)(F)C(c1cn(c2c1ccc(Br)c2)CC(=O)OC(C)(C)C)=O	256
+FC(F)(F)Oc1ccc(cc1)OCC(=O)OC(C)(C)C	52
+CC(C)(C)OC(=O)COC1CCC(CC1)Nc2cc(c(cc2)[N+]([O-])=O)C(F)(F)F	337
+CC(C)(C)OC(CN1CCN(CC1)C(c2ccccc2)c3cccc(C(F)(F)F)c3)=O	303
+CC(C)(C)OC(=O)CC(Cc1cc(c(N)c(c1)C(F)(F)F)Cl)C(N2C(Cc3ccccc3)COC2=O)=O	7176
+FC(F)(F)c1ccc(cc1)-c2sc(c(C)n2)CCOc3ccc4c(c3)n(CC(OC(C)(C)C)=O)cc4CCC	256
+CC(C)(C)OC(Cn1c2ccc(c(Cl)c2cc1C(F)F)C#N)=O	256
+CC(C)(C)OC(=O)Cn1cc(c2cc(NC(=O)C3CCC(F)(F)C3)ccc12)C(=O)C	256
+CC(C)(C)OC(=O)CN1c2cccc(F)c2NCC1=O	933
+CC(C)(C)OC(=O)CN1C(C(CSC(C1)c2occc2)N3C(=O)c4ccccc4C3=O)=O	584
+CC(C)(C)OC(=O)COc1ccccc1CC(c2c3ccccc3n(CCCCC)c2)=O	52
+CC(C)(C)OC(=O)COc1cccc2n(Cc3ccccc3Cl)c4c(c12)c(C(N)=O)ccc4	52
+CC(C)(C)OC(COCCN(C1CC1)S(=O)(=O)c2c(C)cc(cc2C)OC)=O	337
+CC(C)(C)OC(COc1c2c(sc1C(OC)=O)ncc(c2)[N+]([O-])=O)=O	7177
+CC(C)(C)OC(COc1c(C(=O)C)c(O)ccc1)=O	52
+CC(C)(C)OC(COc1cccc([N+](=O)[O-])c1N)=O	52
+CC(C)(C)OC(COc1ccc(cc1Br)C=O)=O	52
+CC(C)(C)OC(COc1cccc(c1)Sc2cc(Nc3scc(n3)C)ncc2)=O	52
+CC(C)(C)OC(Cn1c2c(c(C(N)=O)n1)cccc2)=O	1458
+CC(C)(C)OC(COc1cccc(CO)c1C)=O	52
+CC(C)(C)OC(COc1c(Cl)cc(cc1Cl)[N+](=O)[O-])=O	52
+CC(C)(C)OC(=O)CN1C(C=C(C(C(=O)OCC)=C1)Nc2ccc(cc2F)I)=O	7178
+CC(C)(C)OC(=O)COCCCCN(C(C)C)c1nc(-c2ccccc2)c(-c3ccccc3)nc1	337
+CC(C)(C)OC(=O)CN1C(=O)C(N)C(c2ccccc2)Sc3ccccc13	933
+CC(C)(C)OC(COc1ccc(cc1Cl)CCC(OCc2ccccc2)=O)=O	52
+CC(C)(C)OC(CN(CC)CC(OCc1ccccc1)=O)=O	7179
+CC(C)(C)OC(CN1CCC(CC1)n2c3c(c(N)ncn3)c(n2)-c4ccc(cc4)Oc5ccccc5)=O	303
+CC(C)(C)OC(=O)COc1c(C(=O)OCC)n(c(C(OCC)=O)c1OCc2ccccc2)-c3ccc(cc3)OC	1456
+CC(C)(C)OC(COCc1ccc(cc1)Oc2ccc(cc2)C(=O)OC)=O	337
+CC(C)(C)OC(COc1ccc(cc1)C=O)=O	52
+CC(C)(C)OC(=O)CN1c2ccccc2C(=O)N(C1=O)c3ccc(cc3)CC(OCC)=O	4073
+CC(C)(C)OC(=O)Cn1c(Cc2ccc(cc2)F)cc(-c3cn(nn3)Cc4ccc(cc4)OC)n1	764
+CC(C)(C)OC(COc1ccc(cc1)OCCOCCOCCOCCCCCCCCCC=C)=O	52
+CC(C)(C)OC(=O)COc1cccc(C(OC)=O)c1	52
+CC(C)(C)OC(CN1C(=CC=C(NC(=O)OCc2ccccc2)C1=O)C)=O	4074
+CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)OCc2ccccc2)=CC=C1C(C)C	4074
+CC(C)(C)OC(COCCOCCOCCOCc1ccccc1)=O	337
+CC(C)(C)OC(=O)CNc1ccc(cc1OCc2ccccc2)I	1230
+CC(C)(C)OC(=O)Cn1c2ccc(OCc3ccccc3)cc2c(c1)C(C)=O	256
+CC(C)(C)OC(CC(=O)CC(O)C=CC(=C(c1ccc(cc1F)C)c2ccc(cc2F)C)c3n(C)nnn3)=O	1536
+CC(C)(C)OC(CC(=O)CC(C=CC(c1nnnn1C)=C(c2ccc(F)cc2C)c3ccc(F)cc3C)O)=O	1536
+c1cc(ccc1)S(=O)(=O)C2CN(C(=O)CC(C)=O)C(C(=O)OC)C2	7180
+CC(C)(C)OC(=O)CC(CC(CCCC)C)O	770
+CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1cc(F)c(C#N)cc1F	1266
+FC(F)(F)c1ccc(NC(=O)OC(C)(C)C)c(NC(CC(c2cccc(-c3cnccc3C)c2)=O)=O)c1	496
+CC(C)(C)OC(=O)Nc1cc(c(C)cc1NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)N(C)C	496
+CC(C)(C)OC(Nc1cc(c(cc1NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)C#N)N(CC)CC)=O	496
+FC(F)(F)c1c(cc(c(NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)c1)NC(=O)OC(C)(C)C)C	496
+FC(F)(F)c1c(cc(c(c1)NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)NC(=O)OC(C)(C)C)N4CCSCC4	496
+CC(C)(C)OC(=O)Nc1cc(NC(C)C)c(cc1NC(CC(=O)c2cc(-c3cc(C)no3)ccc2)=O)Cl	496
+FC(F)(F)c1cc(c(NC(OC(C)(C)C)=O)cc1OCC)NC(=O)CC(c2ccnc(-c3cnccc3)c2)=O	496
+CC(C)(C)OC(Nc1c(NC(=O)CC(=O)c2ccnc(-c3onc(c3)C)c2)cc(Cl)c(c1)N(C)CCOC)=O	496
+CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C(ON=C(N)C(=O)OCC)=O	7181
+CC(C)(C)OC(CC(CCCC1CCCCC1)C(ONC(=N)Cc2ccncc2)=O)=O	4075
+CC(C)(C)OC(CC(CO)Nc1ccc(c(Cl)c1)C#N)=O	21
+CC(C)(C)OC(=O)CC(CO)CC(CCCCC)C	21
+CC(C)(C)OC(CC(c1nc(C(OCC)=O)no1)CCCC2CCCCC2)=O	7182
+CC(C)(C)OC(=O)CC(CCCC1CCCCC1)c2onc(n2)CN(CC(=O)OCC)C	303
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2onc(n2)CN(CC(O)=O)C)=O	3
+CC(C)(C)OC(=O)CC(CNC)Nc1ccc(C#N)c(c1)Cl	1385
+CC(CC(CN)CC(=O)O)CCCCC	32
+CC(C)(C)OC(=O)CC(CN)CC(CCCCC)C	18
+CC(C)(C)OC(=O)CC(Nc1ccc(C#N)c(c1)Cl)CN	18
+CC(C)(C)OC(=O)CC(COS(=O)(=O)c1ccc(cc1)C)CC(C)CCCCC	36
+CC(C)(C)OC(=O)CC(CN=[N+]=[N-])CC(CCCCC)C	254
+CC(C)(C)OC(=O)CC(CN=[N+]=[N-])Nc1cc(Cl)c(cc1)C#N	254
+CC(C)(C)OC(=O)CC(c1ccccc1)Nc2c(N)cccc2	0
+CC(C)(C)OC(CC(Nc1cc(c(C#N)cc1)Cl)CNS(=O)(=O)c2c([N+]([O-])=O)cccc2)=O	71
+CC(C)(C)OC(CC(CNCc1ccccc1)Nc2cc(Cl)c(cc2)C#N)=O	42
+CC(C)(C)OC(CC(c1c(c(-c2cc(CC(C)(C)C)on2)on1)C3CC3)CCCOCc4ccccc4)=O	7183
+FC(F)(F)c1c(cc2N=C(CC(=O)Nc2c1)c3cccc(-c4cc(C)nc(N)n4)c3)C	7184
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(c1)NC(=O)CC(=O)c2cccc(-c3ccc(OC)nn3)c2)N(C)C	496
+CC(C)(C)OC(Nc1cc(c(Cl)cc1NC(=O)CC(=O)c2cc(-n3c(COC4CCCCO4)cnn3)ccc2)N(C)C)=O	496
+CC(C)(C)OC(CC(N)c1cccc(c1)F)=O	1191
+FC(F)(F)c1ccc(NC(=O)OC(C)(C)C)c(NC(CC(c2cc(ccc2)-c3c(cc(nc3)C4CC4)C)=O)=O)c1	496
+CC(C)(C)OC(Nc1cc(c(Cl)cc1NC(CC(=O)c2cccc(c2)-n3cc(cn3)COC4OCCCC4)=O)N(C)C)=O	496
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(CC(=O)c3sc(C#N)cc3)=O)=O	496
+CC(C)(C)OC(CC(c1ccc(cc1)NC(Cc2ccc(c(c2)OC)NC(N3c4ccccc4CC3)=O)=O)C)=O	7185
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(c1)NC(=O)CC(=O)c2cc(ccc2)-c3ccnn3C)N(C)C	496
+CC(C)(C)OC(CC(n1cnc2ccccc12)c3ccccc3)=O	7186
+CC(C)(C)OC(CC(c1onc(COS(=O)(=O)c2ccc(cc2)C)n1)CCCC3CCCCC3)=O	36
+CC(C)(C)OC(=O)CC1(C(OCc2ccccc2)=O)CN(CC1C)C(=O)OCc3ccccc3	283
+CC(C)(C)OC(=O)CC1(C(=O)O)CN(C(=O)OCc2ccccc2)CC1C	66
+c1cc(ccc1)C2OC(=O)CCC=CCC(C(N(C)C2C)=O)CC(O)=O	32
+CC(C)(C)OC(=O)CC1CC(C(c2ccc(cc2)Cl)N(C1=O)C(CC)CCC#N)c3cc(Cl)ccc3	7187
+CC(C)(C)OC(=O)CC1C(N(C(CO)CC)C(C(c2cccc(Cl)c2)C1)c3ccc(cc3)Cl)=O	44
+CC(C)(C)OC(=O)CC1CC(C(N(C(CC)C=O)C1=O)c2ccc(cc2)Cl)c3cc(Cl)ccc3	24
+CC(C)(C)OC(=O)CC1C(=O)N(C(C=CC#N)CC)C(c2ccc(cc2)Cl)C(C1)c3cccc(c3)Cl	7188
+c1cc(ccc1Cl)C2C(c3cc(Cl)ccc3)CC(CC(O)=O)C(=O)N2C(CC)CCC#N	32
+C1CC(CCC1CC(O)=O)C(OCC)=O	32
+c1cc(ccc1-c2c(ccc(c2)F)OC)CC(CC(OCC)=O)NC(=O)CCC(=O)O	32
+CC(C)(C)OC(=O)CCC(=O)NC(Cc1ccc(cc1)-c2c(ccc(F)c2)OC)CC(=O)OCC	11
+CC(C)(C)OC(=O)CCc1nc(c2c(nccc2)n1)O	7189
+CC(C)(C)OC(=O)CCC(C(=O)N1CCN(CC1)C(=O)OCC)NC(c2nc3c(c(C(O)=O)c2)cccc3)=O	1
+CC(C)(C)OC(=O)CCC(C(=O)N1CCN(CC1)C(=O)OCC)NC(c2cc(C(OC)=O)c3c(n2)cccc3)=O	712
+CC(C)(C)OC(=O)CCC(C(=O)OC)NC(=O)C1=NN(C(C1)=O)c2ccccc2	7190
+Clc1ccc(c(Cl)c1)CNC(c2cnc(nc2O)NC(CCC(=O)O)=O)=O	32
+c1cc(ccc1Oc2ccc(c(c2)CC)OC)C(=O)CCC(O)=O	32
+CC(C)(C)OC(CCc1cccc(C#N)n1)=O	1304
+CC(C)(C)OC(CCCOc1c(NC(c2ccc(c(Br)c2)Cl)=O)c(C)ccc1)=O	8
+CC(C)(C)OC(=O)CCCCC1=Cc2c(ccc(c2)-c3noc(n3)C4Cc5c(C4)cccc5)C(=O)N1c6ccc(cc6)F	859
+CC(C)(C)OC(=O)CCCCC1=Cc2cc(C#N)ccc2C(=O)N1c3ccc(cc3)F	1308
+CC(C)(C)OC(=O)CCCCC1=Cc2cc(C(=O)O)ccc2C(=O)N1c3ccc(cc3)F	1
+CC(C)(C)OC(=O)CCCCC1=Cc2c(C(=O)N1c3ccc(cc3)F)ccc(C(NO)=N)c2	181
+CC(C)(C)OC(=O)CCCCC1=Cc2cc(CO)ccc2C(=O)N1c3ccc(cc3)F	49
+CC(C)(C)OC(=O)CCCCC1=Cc2c(C(=O)N1c3ccc(cc3)F)ccc(c2)C=NO	135
+CC(C)(C)OC(=O)CCCCC1=Cc2cc(C=O)ccc2C(=O)N1c3ccc(cc3)F	39
+CC(C)(C)OC(CCCCCI)=O	1273
+CC(C)(C)OC(CCCCCC(c1oc(cn1)-c2cc3c(cccc3)nc2OC)NC(=O)OCc4ccccc4)=O	7191
+c1ccccc1-c2c(c3c(cccc3)[nH]2)CCNC(C(CCCCCC(=O)O)NC(=O)c4sccc4)=O	32
+CC(C)(C)OC(=O)CCCCCC(NC(c1cccs1)=O)C(O)=O	4
+CC(C)(C)OC(=O)CCCCCC(C(OC)=O)NC(=O)c1sccc1	2765
+CC(C)(C)OC(=O)CCCCCC(C(NCCc1c(-c2ccccc2)[nH]c3ccccc13)=O)NC(=O)c4sccc4	9
+C(C(NC(=O)CCCCCCCCCCCCCCC(O)=O)CCN=[N+]=[N-])(=O)O	32
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)NC(CCN=[N+]=[N-])C(=O)O	4
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)NC(CCN=[N+]=[N-])C(OC)=O	188
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(NC(C(O)=O)CCN=[N+]=[N-])=O	4
+O=C(C(CCN=[N+]=[N-])NC(=O)CCCCCCCCCCCCCCCCC(O)=O)O	32
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)NC(CCN=[N+]=[N-])C(OC)=O	188
+CC(C)(C)OC(CCCCCCCCCCCCCCCCC(=O)ON1C(CCC1=O)=O)=O	3423
+c1ccccc1OCCCCCC(O)=O	32
+CC(C)(C)OC(CCCCNC(=O)NCCCCC1C2C(CS1)NC(=O)N2)=O	588
+FC(F)(F)c1ccc2c(C(CC(N2)CC)Nc3ncc(cn3)OCCCCC(=O)OC(C)(C)C)c1	96
+c1cc(ccc1F)-c2c(CCCCC(=O)O)nc3cc(C(C4CC4)=O)ccc3n2	32
+CC(C)(C)OC(=O)CCCCc1c(-c2ccc(cc2)F)nc3c(n1)cc(cc3)C(N(OC)C)=O	280
+C1CC(CCC1)CC(=O)Nc2c3c(nc(NCCCC(=O)O)cc3)ccc2Cl	32
+CC(C)(C)OC(=O)CCCOc1cnc(nc1)NCc2cc(ccc2-c3cc(C(C)C)ccc3OC)C(F)(F)F	96
+CC(C)(C)OC(=O)CCNCc1cc2c(cc1)nc(-c3cc(c(-c4ccccc4)cc3)C(F)(F)F)s2	370
+CC(C)(C)OC(CCNS(=O)(=O)c1cccc(C(=O)OC)c1)=O	71
+CC(C)(C)OC(=O)CCN1CCSC(c2ccc(cc2)I)C1	2766
+CC(C)(C)OC(CCN1CC(SCC1)c2ccc(cc2)Oc3ccccc3Cl)=O	754
+FC(F)(F)c1cc(ccc1-c2ccccc2)-c3sc4cc(CNCCC(=O)O)ccc4n3	32
+C1CC2(CCN1C(=O)c3cc(ccc3)S(=O)(=O)NCCC(O)=O)CNC(=NC(c4nc(c(nc4N)N)Cl)=O)N2	32
+C1CC2(CCN1CCc3cccc(c3)CCOCCC(O)=O)CN(C(=O)c4nc(C(C)C)sc4)CCO2	32
+CC(C)(C)OC(=O)CCc1cc(cc(CC(NC(OCc2ccccc2)=O)C)c1)Cc3cnccc3	7192
+CC(C)(C)OC(=O)CCc1cc(CC(C(O)=O)C)cc(c1)Cc2cnccc2	4
+CC(C)(C)OC(CCc1cc(Cl)c(c(Cl)c1)C=O)=O	151
+C1(c2nc(ccc2)CCC(=O)O)=NC(c3ccc(C)cc3S1)=O	32
+CC(C)(C)OC(=O)CCC=1[N+](=O)C(=C=[N-])C=CC=1	1649
+CC(C)(C)OC(CCc1ccnc(C=2Sc3ccccc3C(=O)N=2)c1)=O	2767
+CC(C)(C)OC(CCc1ccnc(C2=NC(c3ccc(cc3S2)F)=O)c1)=O	7193
+c1(c2cccnc2nc(n1)CCC(=O)O)O	32
+CC(C)(C)OC(=O)CCc1cccc[n+]1[O-]	103
+CC(C)(C)OC(=O)CNc1c([N+](=O)[O-])cc(NC(=O)OC(C)(C)C)cc1	945
+CC(C)(C)[Si](C)(C)OCCOCCC(C)(C)CC=NCC(=O)OC(C)(C)C	2768
+CC(C)(C)OC(=O)CN=CCC(C)(C)c1ccc(o1)C	2768
+CC(C)(C)OC(=O)CNC(=O)c1ccc(cc1)OCc2ccccc2	259
+CC(C)(C)OC(=O)CNC(c1cc(Cl)c(cc1)NC(=O)OCc2ccccc2)=O	259
+CC(C)(C)OC(=O)CNC(=O)c1ncc(cc1OCc2ccccc2)OCc3ccccc3	1008
+C1CC1N(C(C(C)CSC(C)=O)=O)CC(=O)O	32
+C1CCCC1N(C(=O)c2cccc(c2SC(C)=O)C)CC(O)=O	32
+CC(C)(C)OC(=O)CN(CCN1c2ccc(cc2SCC1)N)C	0
+CC(C)(C)OC(=O)CN(CCN1c2ccc(cc2SCC1)NC(=N)c3sccc3)C	1139
+CC(C)(C)OC(=O)CN1C(C(N)=CC=C1C(C)C)=O	1849
+CC(C)(C)OC(CN1C(=O)C(CSC(c2ccco2)C1)N)=O	1955
+c1cc(ccc1-c2ccccc2C#N)CC3=C(n4ncnc4N(C3=O)CC(O)=O)CCC	32
+CC(C)(C)OC(=O)CN1C(C(NS(=O)(=O)c2cccc(c2)C)=CC=C1C(C)C)=O	7194
+O=S(=O)(c1cccc(c1)C)NC2=CC=C(N(C2=O)CC(O)=O)C(C)C	32
+CC(C)(C)OC(=O)CN1C(C=C(C(C(=O)O)=C1)Nc2ccc(cc2F)I)=O	108
+c1cc(ccc1)CCC(NC2CSC(CN(CC(O)=O)C2=O)c3ccco3)C(=O)OCC	32
+c1cc(ccc1OC)S(=O)(=O)N2CCN(CC2)CC(O)=O	32
+CC(C)(C)OC(=O)CN1c2ccccc2C(=O)N(c3ccc(cc3)CC(=O)NCCc4ccccc4)C1=O	9
+CC(C)(C)OC(=O)CN1c2ccccc2C(=O)N(C1=O)c3ccc(cc3)CC(=O)O	3
+c1cc(ccc1N2C(=O)N(c3ccccc3C2=O)CC(=O)O)CC(=O)NCCc4ccccc4	32
+C1CC2(CCO1)c3ccccc3C(=C(C2=O)C(NCC(=O)O)=O)O	32
+CC(C)(C)OC(CNC(=O)c1ccc(cc1)OCCc2c(F)cccc2)=O	126
+CC(C)(C)OC(=O)CNC(=O)c1ccc(cc1)O	16
+CC(C)(C)OC(=O)CNC(c1c(cc(cn1)O)O)=O	321
+CC(C)(C)OC(=O)CNC(=O)c1ncc(OCc2ccccc2)cc1O	321
+CC(C)(C)OC(CNc1ncc(s1)C=O)=O	7195
+c1(cc(cnc1C(NCC(=O)O)=O)O)O	32
+CC(C)(C)OC(=O)Nc1cc(c(cc1)NCC(OC(C)(C)C)=O)N	0
+c1(C(C)O)cccc(NC)n1	7196
+FC(F)(F)c1c(ccc(c1)NC2CCC(CC2)OCC(=O)O)[N+]([O-])=O	32
+O=S(=O)(c1c(C)cc(cc1C)OC)N2CCCCC2COCC(O)=O	32
+CC(C)(C)OC(=O)COCCCCN(c1nc(c(-c2ccc(cc2)C)cn1)-c3ccc(cc3)C)C	7197
+c1cc(ccc1)-c2c(-c3ccccc3)nc(N(CCCCOCC(O)=O)C(C)C)cn2	32
+CC(C)(C)OC(=O)COCCOCCN	2769
+c1ccccc1COc2c(OCC(O)=O)c(n(-c3ccc(cc3)OC)c2C(=O)OCC)C(=O)OCC	32
+CC(C)(C)OC(=O)COc1c(c(ccc1)C(C)O)C	7198
+c1cc2n(CCCCC)cc(C(=O)c3cccc4ccccc34)c2cc1OCC(=O)O	32
+c1cc(ccc1OCC(O)=O)-c2c(c(CN3C(=O)CCC3=O)nc4c2c5CCS(=O)Cc5s4)Cl	32
+CC(C)(C)OC(=O)COc1ccc(cc1)-c2c(c(CN3C(=O)CCC3=O)nc4c2c5CCS(=O)Cc5s4)Cl	441
+CC(C)(C)OC(COc1ccc(Cl)cc1C#C)=O	75
+c1ccc(OCC(=O)O)cc1C(=O)OC	32
+c1cc(c2c3c(n(Cc4c(cccc4)Cl)c2c1)cccc3OCC(O)=O)C(=O)N	32
+CC(C)(C)OC(=O)C=Cc1cc(c(cc1)O[Si](C)(C)C(C)(C)C)C2CCCC2	1097
+CC(C)(C)OC(Cc1c(F)cc(cc1F)OCCC2C(C3CCN(CC3)c4ncc(cn4)OCC)C2)=O	2024
+CC(C)(C)OC(=O)Cc1cnc(c(c1)F)Cl	4076
+CC(C)(C)OC(Cc1cnc(Cl)c(C)c1)=O	4076
+CC(C)(C)OC(=O)Cc1c(cc(OCCC2C(C3CCN(CC3)c4ncc(cn4)COC)C2)cc1)Cl	2024
+c1nc(ncc1COC)N2CCC(CC2)C3C(CCOc4cc(c(cc4)CC(O)=O)Cl)C3	32
+c1cc(nc2c1ccc(c2CC(=O)OCC)Cl)C	7199
+CC(C)(C)OC(Cc1ccc(c(CN)c1)Oc2ccc(cc2)C(=O)OC)=O	107
+C(c1cc(F)c(-c2cc(F)ncc2)nc1)C(=O)O	32
+Nc1c([N+]([O-])=O)c(cc(F)c1)CC(=O)O	32
+CC(C)(C)OC(=O)Cc1cc(C#N)c(Oc2ccc(cc2)C(=O)OC)cc1	46
+c1cc(ccc1Oc2c(cc(cc2)CC(O)=O)CNS(=O)(=O)C)C(Nc3ccc(c(Cl)c3)Cl)=O	32
+CC(C)(C)OC(=O)Cc1cc(F)c(-c2ccnc(F)c2)nc1	1299
+CC(C)(C)OC(=O)Nc1cc2nc(n(CC(=O)O)c2cc1)CCC	32
+CC(C)(C)OC(Cn1c(CCC)nc2c1ccc(N)c2)=O	78
+c1cc(ccc1OC)Cn2cc(-c3nn(CC(=O)O)c(c3)Cc4ccc(cc4)F)nn2	32
+C(O)(Cn1c(Cl)c(c2ccc(Cl)c(F)c12)Sc3cccc(c3F)C(OCC)=O)=O	32
+CC1(C)OC(=O)Nc2c1cc(-c3n(c(cc3)C#N)CC(O)=O)cc2	32
+C(Cn1c2ccc(cc2c(C(=O)C)c1)C(=O)OC)(=O)O	32
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(COc3cc4c(c(Cl)cn4CC(=O)OC(C)(C)C)cc3)s2	2119
+CC(C)(C)OC(Cn1cc(c2cc(ccc12)O)C(=O)C)=O	16
+CC(C)(C)OC(=O)Cn1cc(CC#N)c2c(cccc12)N	0
+n1(c2cnccc2c(n1)C(=O)N)CC(=O)O	32
+CC(C)(C)OC(Cn1c2c(c(c(cc2)Cl)N)c(CC#N)c1)=O	196
+c1ccccc1-c2c3c(C(N(c4ccc(cc4)Cl)C(=N3)c5ccc(cc5)C(C)C)=O)n(CC(=O)O)n2	32
+n1(c2ccc(cc2c(n1)C(=O)N)Nc3nnccc3)CC(=O)O	32
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)CCCc1cc2c(cc1)OC(CC)C2	2676
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)Cc1c(cccc1)O	16
+C1COCCC1C(NC(C(NC)C)=O)C(=O)N2C(C(=O)Nc3c(cccc3F)C)Cc4cccnc24	255
+CC(C)(C)OC(=O)N(C(C(=O)NC(C(=O)N1C(C(=O)Nc2c(cccc2F)C)Cc3cccnc13)C4CCOCC4)C)C	33
+CC(C)(C)OC(=O)N(C(C(=O)NC(C(N1C(Cc2c1nccc2)C(=O)O)=O)C3CCOCC3)C)C	3
+c1ccccc1CC(C(C)NC(C(NC)CC(C)C)=O)=O	255
+CC(C)(C)OC(=O)N(C(C(NC(C(Cc1ccccc1)=O)C)=O)CC(C)C)C	612
+CC(C)(C)OC(=O)N(C(C)C(NC(C(=O)N1CCC2N(CC(C(=O)OC)C12)S(=O)(=O)C)C3CCCCC3)=O)C	112
+CC(C)(C)OC(N(Cc1cc(ccc1)N)C(C)C(F)c2ccccc2)=O	0
+CC(C)(C)OC(=O)N(C(C)C(=O)NC(C1CCCCC1)C(=O)N2CCC3NCC(C(=O)OC)C23)C	62
+CC(C)(C)OC(=O)N(C(C)C(NC(C(N1C2C(CN(C2CC1)S(=O)(=O)C)C(O)=O)=O)C3CCCCC3)=O)C	4
+CC(C)(C)OC(=O)N(C(C)C)C1CCNCC1	25
+CC(C)Nc1sc(-c2cn3c(c(c2)-c4ccccc4)nc(CO)c3)cn1	2770
+CC(C)(C)OC(=O)N(C(C)C)c1ncc(-c2cc(c3n(c2)cc(CO)n3)-c4ccccc4)s1	874
+CC(C)(C)OC(=O)N(C(C)C)c1ncc(-c2cn3c(c(-c4ccccc4)c2)nc(C(=O)O)c3)s1	6
+CC(C)Nc1sc(-c2cn3cc(nc3c(c2)-c4ccccc4)C(=O)OCC)cn1	2770
+CC(C)(C)OC(=O)N(C(C)C)c1ncc(s1)-c2cc(c3nc(C(NC)=O)cn3c2)-c4ccccc4	312
+CC(C)Nc1sc(-c2cn3c(nc(C(NC)=O)c3)c(-c4ccccc4)c2)cn1	2770
+CC(C)(C)OC(=O)N(CCOc1c(cccc1)OCC)C(C)Cc2cc(c3NCCc3c2)C#N	621
+CC(C)(C)OC(=O)N(C)C(CCC#N)c1ccc(cc1)OCc2ccccc2	2771
+CC(C)(C)OC(=O)N(CC(=O)N(C)OC)C(C=C)COC	1541
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)Cc1c(cc(cc1OC)C(=NO)N)OC	253
+C1Oc2c(c(N)ccc2C3C1OCC3)C(=O)OC	7200
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2nn(CCC)c(c2c3ccccc3n1)CCCCOC(C)=O	2120
+c1c2c(cc(c1COc3cc(Cl)c(F)cc3)Cl)c(N)no2	7201
+C(CCCc1n(nc2c1c3ccccc3nc2N)CCC)O	7202
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2nn(CCC)c(CCCC=O)c2c3ccccc3n1	24
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2nn(CCC)c(c2c3ccccc3n1)CCCCO	59
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1ncc(cc1)C=CC(=O)O	108
+n1c(ccc(C=CC(NCCCCc2ccc(C(NC)=O)c(NCC)n2)=O)c1)N	7203
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2cc(Cl)c(cc2on1)COc3cc(c(cc3)F)Cl	22
+c1(C)cc(C=CCC(C)NC)cnc1N	2
+CC(C)(C)OC(N(C(Cc1ccccc1)CCN)C)=O	51
+CC(C)(C)OC(=O)N(C)C(C)CC=Cc1cc(cnc1)OC(C)C	1514
+CC(C)(C)OC(=O)N(C)C(C)CC=Cc1cnc(c(C)c1)N	1514
+CC(C)(C)OC(N(C(C)CC=Cc1ccc2OCOc2c1)C)=O	858
+CC(C)(C)OC(=O)N(C(CCO)c1ccc(cc1)OCc2ccccc2)C	665
+CNC(CNC(=O)c1cc(ccc1)C(OCCNC(=O)OC)c2cccc(c2)Cl)CC3COCCC3	2
+CC(C)(C)OC(N(C)C(CNS(=O)(=O)C)Cc1ccccc1)=O	111
+CC(C)(C)OC(N(C(c1ccc(cc1)OCc2ccccc2)CC(OCC)=O)C)=O	22
+c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC	2
+C1CC(CCN1c2ccc(C#N)cn2)C(=O)N3CC(c4ccc(cc4)Cl)C(NC)C3	2
+C1CC(CCC1N(c2c(C)c(C(NCc3c(C)n(nc3OC)C)=O)cc(Cl)c2)CC)NC	2
+CC(C)(C)OC(N(C)C1CCC(CC1)OC(C(c2cccs2)(c3cccs3)O)=O)=O	2630
+CC(C)(C)OC(N(C1CCN(CC1)c2nnc(c(c2C)C)Cl)C)=O	212
+C1N(CC1NC)c2c3nnnn3c(cn2)-c4cccs4	2
+CC(C)(C)OC(=O)N(C)C1CN(C1)c2c3n(c(cn2)-c4cccs4)nnn3	7204
+CC(C)OC(c1c(N2CCC(NC)C2)nccc1)=O	2
+CC(C)(C)[Si](C)(C)OCC1OC2SC(=NC2C(O)C1O)N(C)C(=O)OC(C)(C)C	19
+CC(C)(C)OC(N(CC(=O)N1C(CC(C1)N=[N+]=[N-])C(=O)OC)C)=O	298
+CC(C)(C)OC(=O)N(CC(N(c1cccc(Cl)c1)CCCNC(OC)=O)=O)C	429
+CC(C)(C)OC(N(C)CCCC#Cc1c(N)ccc(c1)C(=O)Nc2ccc(c(c2)OC)OC)=O	121
+CC(C)(C)OC(=O)N(C)CCCCN(Cc1c(C)cc(cn1)C)Cc2nccc3c2cccc3	315
+C(COC)CCN(CCNC)c1c(-c2cccc(c2)CC)c(Cl)ccc1	2
+CC(C)(C)OC(N(CCN(Cc1c(nn(C2OCCCC2)c1)-c3ccc(cc3)[N+](=O)[O-])C)C)=O	678
+CC(C)(C)OC(=O)N(CCN(Cc1nn(c2ccc(I)cc12)C3OCCCC3)C)C	315
+CC(C)(C)OC(N(CCN(CC1=Nc2ccc(cc2C(N1c3ccccc3)=O)[N+](=O)[O-])C)C)=O	4077
+CC(C)(C)OC(N(Cc1c(cccc1Br)N)C)=O	0
+CC(C)(C)c1onc(NC(n2c3c(cc2C)c(c(cc3)Oc4cc(CNC)ncn4)F)=O)c1	2
+CC(C)(C)OC(=O)N(C)Cc1cc(Oc2c(c3c(n(c(c3)C)C(Nc4cc(on4)C(C)(C)C)=O)cc2)F)ncn1	2121
+C1CN(CCO1)c2nc(-c3cc(ccc3)O)nc4c2sc(CNC)c4	2
+CC(C)(C)OC(=O)N(C)Cc1cc(F)c(C=NO)cc1	135
+CC(C)(C)OC(=O)N(C)Cc1ccc(c(F)c1)C=O	39
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)N	0
+CC(C)(C)OC(N(Cc1cccc(CCN)c1)C)=O	51
+CC(C)(C)OC(=O)N(C)Cc1cc2c(c(nc(n2)-c3cc(ccc3)O)N4CCOCC4)s1	2099
+FC(F)(F)c1cn2c(n1)c(ccc2)NC	7205
+CC(C)(C)OC(=O)N(C)c1cccn2c1nc(C(F)(F)F)c2Cl	2772
+CC(C)(C)OC(N(c1ncnc(c1)NN)C)=O	1021
+CC(C)(C)OC(=O)N(C)c1cc(-n2c(N)c(cn2)C(=O)O)ncn1	6
+CC(C)(C)OC(=O)N(C1(CCC(CC1)Oc2ncnc3sc4CCC(CC(=O)N)c4c23)C)C	527
+C1CC(CCC1(C)NC)Oc2ncnc3sc4CCC(CC(=O)N)c4c23	2
+c1ccccc1CN2CC(NCc3c(F)cc(cc3)F)CC2C(=O)N4CCC(CC4)c5ccccc5	2
+C1C(CCCC1c2c3cc(NC(c4sccc4)=N)ccc3[nH]c2)NCC	2
+CC(C)(C)OC(=O)N(C1CC(CCC1)c2c[nH]c3ccc(NC(=N)c4sccc4)cc23)CC	1139
+CC(C)(C)OC(=O)N(C1CC(c2c3c(ccc(c3)N)[nH]c2)CCC1)CC	0
+CC(C)(C)OC(=O)N(C1CCC(=CC1)c2c[nH]c3ccc(cc23)N)C	0
+CC(C)(C)OC(=O)N(C1CCC(c2c3c(ccc(c3)NC(=N)c4sccc4)[nH]c2)=CC1)C	1139
+C1CC(CCC1C#CCO)NC	2
+N(c1cc2c(C=3CCC(CC=3)NC)c[nH]c2cc1)C(c4sccc4)=N	2
+C1CN(CCC1C(CCN2CCC(CC2)NCC3CC3)c4cc(F)cc(c4)F)S(=O)(=O)C	2
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2C(C=Cc3c2cccc3N)=O)Cc4cc5OCCOc5cc4	0
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2C(C=Cc3c2cccc3NC)=O)Cc4cc5OCCOc5cc4	7206
+C1N(CC1NC)c2c3nncn3c4c(n2)ncc(N)c4	2
+CC(C)(C)OC(=O)N(C1CN(C1)c2c3nncn3c4c(n2)ncc(N)c4)C	13
+CC(C)(C)OC(N(C1CN(C1)c2nc3ncc(cc3nc2NN)[N+](=O)[O-])C)=O	1386
+c1cc(ccc1[N+]([O-])=O)N2CC(CC2)NC	2
+CC(C)(C)OC(=O)N(C1CN(C1)c2c3n(ccn2)nnn3)C	2072
+CC(C)(C)OC(N(CC#C)CCNC(C)C)=O	285
+CC(C)(C)OC(N(CC=O)C(COC)C=C)=O	378
+CC(C)(C)OC(N(CCCc1ccc2cccnc2n1)CC(=O)OCC)=O	4078
+CC(C)(C)OC(N(CC(C(O)C1CCCCC1)N)C)=O	45
+CC(C)(C)OC(N(C)CC(CN(C(=O)OC(C)(C)C)C)O)=O	35
+Clc1cccc(c1)N(C(=O)CNC)CCCNC(OC)=O	255
+CC(C)(C)OC(=O)NC1CC(N(C(CN(C)C(=O)OC(C)(C)C)=O)C1)C(=O)OC	37
+C(=CCCC(=O)NCCNC(CNC)=O)CC=CCC=CCC=CCC=CCC=CCC	255
+CC(C)(C)OC(N(CC(NCC)=O)CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F)=O	9
+CC(C)(C)OC(N(Cc1ccccc1)CC(=O)Nc2ccc(cc2)-c3nc(sc3)N(C)C)=O	33
+CC(C)(C)OC(N(CCc1ccc(cc1)-c2ccc(c(CC(C)C)c2)C(OC)=O)CC(O)c3cccnc3)=O	11
+CC(C)(C)OC(N(c1nc(ccc1)CO)CC(OC(C)(C)C)=O)=O	194
+CC(C)(C)OC(=O)N(CC(O)c1cnccc1)CCCc2ccc(cc2)-c3cc(c(cc3)C(=O)OC)OCC(C)C	11
+CC(C)(C)OC(=O)N(C1CCNCC1)CC2CC2	62
+CC(C)(C)OC(=O)N(c1n2ncc(Br)c2nc(Oc3ccccc3)c1)CC4CCOCC4	7207
+CC(C)(C)OC(=O)N(Cc1ccc(c(c1)F)-c2cccc(C#N)c2)CCC(C)C	11
+CC(C)(C)OC(N(C)CCC1CCC(CC1)C(=O)O)=O	2773
+CC(C)(C)OC(=O)N(CCC1CCC(CC1)CO)C	59
+CC(C)(C)OC(N(CCCC(N1CCN(CC1)c2cc(nc(n2)C(C)(C)C)C3CCC3)=O)C)=O	10
+CC(C)(C)OC(=O)N(CCCCC(=O)O)c1ncccc1	4
+CC(C)(C)OC(=O)N(CCN1CCN(CC1)CCSc2oc3c(C(F)(F)F)cccc3n2)CCCCCCC	7208
+CCCN(CCC)CCCCNCc1ccc(cc1)CN(Cc2ncc[nH]2)Cc3nccn3C	2
+CC(C)(C)OC(=O)N(C)CCCCNCc1c(C)cc(C)cn1	294
+CC(C)(C)OC(=O)N(CC(O)=O)CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F	3
+n1c(NCCCNC)c(cnc1Cl)Br	2
+N(C)CCCc1cc2c(ccc(C(=O)Nc3ccc(OC)c(c3)OC)c2)[nH]1	2
+CC(C)(C)OC(=O)N1CCC(CC1)(C#N)c2ncccc2Br	7209
+CC(C)(C)OC(N(CCN(C)Cc1c2c(ccc(Oc3cc(Cl)ccc3)c2)n(C4OCCCC4)n1)C)=O	754
+CC(C)(C)OC(=O)N(CCN(c1cc2c(C(=O)N(CC(=O)O)C2=O)cc1)S(=O)(=O)C)CCOC	210
+C1CCCC1Oc2c(cc3c(N(CCNCc4ccccc4)C5=NC(=NC(C5=N3)=O)O)c2)C	2
+CC(C)(C)OC(=O)N1CC(OCC1)c2ccc(Br)c(c2)F	2774
+CC(C)(C)OC(N(Cc1c(cccc1)F)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N(C(C)Cc1cc2CCN(CC(OCC)=O)c2c(C#N)c1)CCOc3c(cccc3)OCC	2319
+CC(C)(C)OC(=O)N(CCOc1ccc(cc1)N=C=S)CC	1034
+CC(C)(C)OC(=O)N(CCOc1ccc(cc1)N)CC	0
+N1(CCNCC1=O)CCc2ccc3c(c2)COC3=O	7210
+CC(C)(C)OC(=O)N(Cc1ccc(cc1)F)CCc2c(cc(cc2)N)Cl	0
+CC(C)(C)OC(N(CCc1ccc(cc1)-c2cc(NC(C)C)c(cc2)C(=O)OC)Cc3ccccc3)=O	11
+CC(C)(C)OC(=O)N(CCc1ccc(cc1)N)Cc2ccccc2	0
+CC(C)(C)OC(=O)N(CCc1ccc2c(COC2=O)c1)CC=O	2775
+CC(C)(C)OC(=O)N(CCc1cc2COC(=O)c2cc1)CCNCC(OCC)=O	1315
+CC(C)(C)OC(=O)N(CCc1ccccc1Cl)CCCSCCNCC(c2ccc(c3NC(Sc23)=O)O)O	110
+CC(C)(C)OC(=O)N(CCc1ccccc1Cl)CCCSCC=O	24
+CC(C)(C)OC(=O)N(CCn1cc(cn1)-c2cc3nccc(Oc4ccc([N+]([O-])=O)cc4F)c3s2)C	4079
+CC(C)(C)OC(N(Cc1c(cccc1)N)C(C)C)=O	0
+CC(C)(C)OC(=O)N(Cc1nc2c(SCC(=O)N2C)cc1Cl)C3CCN(CC3)CCN4C(=O)C=Nc5ccc(cc45)OC	3395
+CC(C)(C)OC(=O)N(Cc1cc(c(cc1)-c2ccc(cc2)N)C)CCC(C)C	0
+CC(C)(C)OC(=O)N(Cc1cc(c(-c2ccc(cc2)[N+](=O)[O-])cc1)C)CCC(C)C	11
+CC(C)(C)OC(=O)N(Cc1cc(c(-c2ccc(cc2)NS(=O)(=O)C)cc1)C)CCC(C)C	80
+CC(C)(C)OC(=O)N(Cc1ccc(c(c1)F)-c2cc(ccc2)C(=O)N=CN(C)C)CCC(C)C	2098
+CC(C)(C)OC(=O)N(Cc1ccc(-c2cccc(c2)C(N)=O)c(c1)F)CCC(C)C	216
+CC(C)(C)OC(=O)N(CCCCN(CCC)CCC)Cc1ccc(cc1)CN(Cc2n(C)ccn2)Cc3[nH]ccn3	566
+CC(C)(C)OC(=O)N(Cc1cn(c2c1ccc(c2)C(O)=O)S(=O)(=O)c3cnccc3)C	1
+CC(C)(C)OC(=O)N(C)Cc1cn(S(=O)(=O)c2cnccc2)c3c1ccc(c3)CO	49
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(cc5)CNCCOC)s4)ncc3	2
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)cc1)CCOC	680
+C1CN(CCC1NCc2c(Cl)cc3c(n2)N(C)C(CS3)=O)CCN4C(=O)C=Nc5ccc(cc45)OC	2
+CC(C)(C)OC(N1CC(CCl)c2c3c(ccc12)ccc(S(=O)(=O)C)c3)=O	4080
+CC(C)(C)OC(N(c1c(NC(COc2ccc(cc2)CC3SC(=O)NC3=O)=O)ccc(SC)c1)C)=O	33
+CC(C)(C)OC(=O)N(c1nc(c(cc1)C=O)F)Cc2cnc(OC)c(F)c2	687
+CC(C)(C)OC(=O)N(c1ccc(cc1)NC(=O)c2ccc(nc2Cl)C)CCc3ccccn3	246
+C1CCCCN1c2nc(ccc2C(=O)Nc3ccc(cc3)NCCc4ccccn4)C	396
+c1ccccc1COc2c(c(ccc2)NCC)[N+](=O)[O-]	396
+c1c2ccc(NC)cn2c(n1)C(=O)c3cc(C(=O)OC)c(cc3)[N+]([O-])=O	4081
+C1N(CC1)Cc2nccc(-c3cc(ccc3Oc4cc(F)c(S(=O)(=O)Nc5cscn5)cc4F)Cl)c2	7211
+CC(C)(C)OC(N(C1CN(Cc2ccc3c(CCO3)c2)CC1)c4ncc(C=CC(=O)OCC)cc4)=O	889
+CC(C)(C)OC(N(C1CN(CC1)Cc2ccc(cc2)OC)c3ncc(C=CC(=O)OCC)cc3)=O	48
+C1CC1CNc2cc(ccn2)-c3cccc(n3)C(Nc4c(C(N)=O)nn(C)c4)=O	2776
+CC(C)(C)OC(=O)N(c1nccc(-c2cccc(C(Nc3c(C(N)=O)nn(C)c3)=O)n2)c1)CC4CC4	2491
+CC(C)(C)OC(=O)N(c1nccc(-c2cccc(n2)C(=O)O)c1)CC3CC3	1
+CC(C)(C)OC(N1C(C(=O)N(CC1)Cc2ccccc2)CCCC)=O	7212
+CCC(CC)c1cccc2NC(=O)N(CC(OCC)=O)c12	7213
+O=Cc1c2CCNC(c2c[nH]1)=O	7214
+CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC(N)=O	327
+CC(C)(C)OC(N1C(C(=O)O)CC(CCNC(=O)C=C)C1)=O	4
+CC(C)(C)OC(=O)N1CCn2c3c(cc(c(S(=O)(=O)C)c3)COC)nc2C1C(C)C	49
+CC(C)(C)OC(=O)N1C(CN(CC1)c2c3cc(C#N)c(Cl)cc3ncn2)C(N)=O	1572
+CC(C)(C)OC(=O)N1C(CN(c2c3c(cc(Cl)c(C4CC4)c3)ncn2)CC1)C(N)=O	365
+CC(C)(C)OC(N1CCCC1C(N2CCCC2C(O)COc3ccccc3)=O)=O	4083
+CC(C)(C)OC(N1CCCC1C(=O)NC(Cc2ccccc2)C(=O)NC(CCCNC(N[N+]([O-])=O)=N)C(O)=O)=O	207
+CC(C)(C)OC(N1CCCC1C(=O)Nc2cc(ccc2)-c3ccc(cc3)Cl)=O	33
+CC(C)(C)OC(N1C(C(NCCCc2ccccc2)=O)CCC1)=O	9
+CC(C)(C)OC(N1C(CCC1c2ccccc2)C(Nc3nc(cs3)-c4ccc(cc4)C(NC5CC5)=O)=O)=O	373
+CC(C)(C)OC(=O)N1C(C(N)=O)CN(c2ncnc3c2cc(c(Cl)c3)Br)CC1	1360
+CC(C)(C)OC(N1CC(N)CC1C(OCC)=O)=O	18
+c1ccccc1CONC2CCC(NC2)C(OCC)=O	4084
+CC(C)(C)OC(=O)N1C(C)(C)CNC2(CCCC2)C1	25
+FC(F)(F)c1c(CN2CCNC(C)(C)C2)ccc(N3CCOCC3)c1	2
+CC1(C)NCCN(c2ccc(cc2OC)[N+](=O)[O-])C1	2
+CC1(C)NCC(N(c2c(C)cccc2)C1)=O	255
+CC(C)(C)OC(=O)N1C(C)(C)CN(c2c(OC)cc(cc2)[N+](=O)[O-])CC1	34
+CC(C)(C)OC(=O)N1C(C)(C)CN(CC1)Cc2ccc(N3CCOCC3)cc2C(F)(F)F	48
+CC(C)(C)OC(=O)N1CCN(Cc2ccc(cc2)C(C)Nc3nc(N4C(=O)OCC4C(C)C)ccn3)CC1(C)C	48
+CC(C)(C)OC(NC(CC1COCCC1)CO)=O	2777
+CC(C)(C)OC(N1C(C)CCC(C(NOC(c2ccc(cc2)F)=O)=N)C1)=O	7215
+CC(C)(C)OC(=O)N1CC(C(O)=O)CCC1C	4
+CC(C)(C)OC(N1C(C)CCC(C1)COC)=O	21
+C1CC1NC(c2cc(-c3cc4C(=CN(CC5CC5)C(c4cc3)=O)CN6CCNC(C)C6)c(c(F)c2)C)=O	2
+CC(C)(C)OC(N1C(CN(Cc2cnc(cc2)NC)CC1)C)=O	565
+CC(C)(C)OC(=O)N1CCN(c2cnc(cc2)[N+]([O-])=O)CC1C	244
+C1CC1C2CN(CCN2)c3nc(C4CC4)c(N(C)c5ccnc(Cl)c5)cc3C#N	2
+CC(C)(C)OC(=O)N1C(CN(CC1)c2nc(c(cc2C#N)Nc3cc(ncc3)Cl)C4CC4)C5CC5	1674
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3cnc(C4N(C(OC(C)(C)C)=O)C5CCC4C5)[nH]3	17
+CC(C)(C)OC(=O)N1CCCC1C(COc2ccccc2)O	626
+Fc1cc(cc(F)c1)CC2NC(OC2C3NCc4c(C3)cccc4)=O	2
+CC(C)(C)OC(=O)N1CC(N(OCC=C)S(=O)(=O)c2c(cccc2)[N+](=O)[O-])C(=CC1COC)C(=O)N(C)C	76
+CC(C)(C)OC(=O)N1C(CCOC)CCCC1	21
+CC(C)(C)OC(N1C(C(=O)N2CCSC2)CC(CN)C1)=O	51
+CC(C)(C)OC(=O)N1C(CO)CC(OC)C1	35
+O=S(=O)(C1CC(NC1)C(=O)NC2(CC2)C#N)c3ccccc3Cl	255
+CC(C)(C)OC(N1CCCCC1Cc2cn3c(n2)cc(C(F)(F)F)cc3)=O	3258
+CC(C)(C)OC(N1CC(CC1CO)N)=O	18
+CC(C)(C)OC(=O)N1CC(CC1C(OCC)=O)O	27
+CC(C)(C)OC(N1CC(CC1C(NC2(CC2C=C)C(=O)OCC)=O)O)=O	188
+CC(C)(C)OC(N1C(CC(O)C1)C(N)=O)=O	83
+CC(C)(C)OC(N1CC(CC1COc2c3c(ncnc3cc(c2)OC)Nc4cc(c(F)cc4)Cl)O[Si](C)(C)C(C)(C)C)=O	3431
+CC(C)(C)OC(=O)N1C(CCC(O)=O)CC(Oc2c3c(c(-c4ccccc4)oc3ncn2)-c5ccc(cc5)OC)CC1	4
+CC(C)(C)OC(N1C(C)(CC2(CC2)CC1)C(=O)NC(C)c3ccc(cc3)C(=O)OC)=O	9
+CC(C)(C)OC(N1C2C(CC1CN)CCC2)=O	273
+CC(C)(C)OC(=O)N1C(CC(F)(F)C1)CCC(=O)O	3
+CC(C)(C)OC(N1C(CCOC)CCC(C1)N(C(OCc2ccccc2)=O)C(C)C)=O	76
+c1cc(ccc1)-c2c(c3c(ncnc3o2)OC4CC(CCC(O)=O)NCC4)-c5ccc(cc5)OC	2
+c1cc(ccc1Cl)CC=2c3ccccc3C(N(N=2)CC4NCCC4)=O	2
+c1ccccc1Cc2ccc(cc2)OCC3NCCC3	2
+c1ccccc1Oc2ccc(cc2)OCC3NCCC3	2
+c1(Cl)c(Cl)nc2c(oc(C3NCCC3)c2)c1	2
+CC(C)(C)OC(=O)N1C(CCC1)c2nn(-c3cccc(c3)C#N)nn2	160
+c1(cccc(C#N)c1)-n2nc(C3NCCC3)nn2	2
+CC(C)(C)OC(=O)N1C(CCCC1)CCOc2c3cc(c(cc3nc(O)c2-c4cc(C)cc(C)c4)Cl)N	0
+Cc1cc(cc(C)c1)-c2c(c3c(nc2O)cc(Cl)c([N+]([O-])=O)c3)OCCC4CCCCN4	2
+Cc1cc(cc(C)c1)-c2c(O)nc3c(cc(c(c3)Cl)NC(NC4CC4)=O)c2OCCC5CCCCN5	2
+CC(C)(C)OC(=O)N1CCCCC1CCNc2nccc(O)c2[N+]([O-])=O	70
+CC(C)(C)OC(=O)N1C(CCNc2c3c(ccn2)oc(Cc4cc(Cl)ccc4-n5cncn5)n3)CCCC1	7216
+n1c(Cc2cc(Cl)ccc2-n3ncnc3)oc4c1c(NCCC5NCCCC5)ncc4	2
+CC(C)(C)OC(N1CCCCC1CCO)=O	88
+c1cc(ccc1-c2[nH]c3cc(ccc3n2)C(N)=O)OCCC4CCCCN4	2
+CC(C)(C)OC(=O)N1CCN(CC1CCOS(=O)(=O)C)C(OCc2ccccc2)=O	7
+C1C(NCCN1c2ncnc3cc(Cl)c(cc23)C#N)C(=O)N	255
+CC(C)(C)OC(=O)N1C(C2CC2)CN(c3c(cc(N(C)c4ccnc(Cl)c4)c(C5CC5)n3)C#N)CC1	4085
+CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(=O)O)C	4
+CC(C)(C)OC(N1C(C)CN(c2c3CN(CCc3nc(-c4c(C)cccc4C)n2)Cc5ccccc5)C(C)C1)=O	345
+CC(C)(C)OC(=O)N1C(CNC(=O)C(F)(F)F)C2CCC1C2	605
+CC(C)(C)OC(=O)N1CCCC1CNc2ccn3nccc3n2	2447
+C(N1C(=O)c2c(cccc2)C(=N1)Cl)C3NCCC3	2
+FC(F)(F)C(NCC1NC2CC1CC2)=O	2
+C1C(NCC1)(CNCc2c(Cl)cccc2)C	2
+CC(C)(C)OC(N1C(COC1(C)C)CC(COS(=O)(=O)c2ccc(cc2)C)CCCO)=O	2764
+CC(C)(C)OC(N1C(C)(C)OCC1CCc2ccc(cc2)Nc3ccc(cc3)Cl)=O	230
+c1cc(ccc1F)N2CCN(CC2)C(OCC3NCCOC3)=O	2
+CC(C)(C)OC(=O)N1Cc2[nH]c3c(c2CC1C(N)=O)cccc3	83
+CC(C)(C)OC(N1C(Cc2c(n(c3c2cccc3)Cc4ccc(cc4)F)C1)C(=O)O)=O	190
+CC(C)(C)OC(N1C(Cc2c(C1)n(c3ccccc23)Cc4ccc(cc4)F)CN)=O	15
+C(C1CCCCN1)c2nc3ccccc3o2	2
+c1ccccc1Oc2cc(c(cc2)-c3nn(CC4NCCC4)c5ncnc(N)c35)F	2
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(ncnc4N)n(CC5NCCC5)n3)F	2
+c1cc(ccc1-c2c3c(ncnc3N)n(CC4NCCC4)n2)Oc5cc(F)cc(c5)F	2
+CC(C)(C)OC(=O)N1C(=O)N(CC(=O)OCC)c2c(cccc12)C(CC)CC	4073
+CC(C)(C)OC(=O)N1C(=O)c2c(c([nH]c2)C=O)CC1	413
+O(c1ncc(F)cc1C2CCCN2)C	2
+CC(C)Oc1c(cc(cc1)-c2onc(-c3cc4c(C(CCC(=O)OC)NCCC4)cc3)n2)Cl	2
+CC(C)(C)OC(=O)N1C(c2nc(no2)N3CCC(CC3)C(C)CCOc4ccc(cc4)S(=O)(=O)C)CCC1	20
+c1cc(ccc1OCCC(C2CCN(CC2)c3nc(on3)C4NCCC4)C)S(=O)(=O)C	2
+CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]ccc23)CC14CC4	778
+C1CN(CCC12NCCCC2)C(c3ccc(cc3)-c4cn5c(-c6ccc(cc6)C#N)cnc5cc4)=O	2
+C12C(NCC1)CN(C)C2	2
+CC(C)(C)OC(=O)N1CC2CC1C(c3onc(C)c3)=CC2	7217
+[N-]=[N+]=NCC1C2NC(CC2)C1	2
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(COS(=O)(=O)C)C3CCCCC3	7
+CC(C)(C)OC(N1C2CC(CC1CC2)(c3ccccc3)CO)=O	21
+CC(C)(C)OC(N1C2CCC1CC(C2)NC(CCCc3cnn[nH]3)=O)=O	9
+CC(C)(C)OC(N1C2CC2CC1CN)=O	273
+CC(C)(C)OC(N1C(C=O)CC2CC12)=O	24
+CC(C)(C)OC(=O)N1C2CC(CC1CC2)(C3CCCCC3)CO	21
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(CSC)C3CCCCC3	786
+CC(C)(C)OC(N1C2CC(CC1CC2)(Cn3cncn3)C4CCCCC4)=O	7218
+C1C2CCC(CN1c3ncccc3Cl)N2	2
+CC(C)(C)OC(N1C2CCCC2CC1C=O)=O	24
+C1CCC2NC(N(C)C12)=O	7219
+CCOC(=O)c1c(C)nc(s1)N2CC3C2CCN3	2
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4CC5CCC(C4)N5	2
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)c3cc4C(C(C(N(C(C)=O)c4cc3)C)C)Nc5ccccc5	250
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)c3ccc4N(C(C)=O)C(C)C(C)C(c4c3)N	102
+CC(C)(C)OC(=O)N1C2CCC1CN(C2)c3ccnc(Nc4cc(C)c(C(OCC)=O)nc4)n3	949
+CC(C)(C)OC(=O)N1C2CCC1CN(C2)c3c(cccn3)Cl	323
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)C(=O)OCC3c4c(-c5c3cccc5)cccc4	66
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)c3ccc4c(c3)C(NC(=O)OCc5ccccc5)C(C(C)N4C(C)=O)C	79
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)c3ccnc(n3)Cl	54
+CC(C)(C)OC(N1Cc2c(nc(nc2)SC)C1)=O	7220
+CC(C)(C)OC(=O)N1Cc2c(C3(CCC3)C)[nH]nc2CC1	3403
+CC(C)(C)OC(N1CC(CCC1C)C(=O)C)=O	591
+CC(C)(C)OC(=O)N1CC(CC(CO)C1)N(C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C)C	21
+CC(C)(C)OC(=O)N1CC(C(=O)OC)CC(NCC(C)C)C1	110
+CC(C)(C)OC(N1CC(N(CC(C)C)C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C(=O)OC)C1)=O	7221
+CC(C)(C)OC(=O)N1CC(C(OC)=O)CC(N(CC(C)C)C(=O)c2nc3c(cccc3)[nH]2)C1	7222
+CC(C)(C)OC(=O)N1CC(C(=O)OCC)C(NC(=O)OCc2ccccc2)C1	101
+CC(C)(C)OC(N1CC(NC(=O)OCc2ccccc2)C(C(O)=O)C1)=O	3
+CC(C)(C)OC(N1CCN(C(C(=O)OCC)C1)S(=O)(=O)c2ccc(cc2)OCC#CC)=O	1387
+CC(C)(C)OC(N1CCN(S(=O)(=O)c2ccc(cc2)F)C(C(=O)OCC)C1)=O	1387
+CC(C)(C)OC(=O)N1CC(C(C(=O)OCC)C1)CNC(C)C	110
+CC(C)(C)OC(=O)N1CC(C(CN(C(C)C)C(=O)c2cc(c(cc2)OC)OCCCOC)C1)C(=O)OCC	30
+c1ccccc1CC2C(CNC2)CN(C(C)C)C(=O)C3CC(Nc4ccccc34)=O	2
+CC(C)(C)OC(=O)N1CC(C(=O)N2CC(CCC2)Cc3ccc(cc3)F)C(NC(Nc4cccc(C(C)=O)c4)=O)CC1	282
+CC(C)(C)OC(=O)N1CCC(C(C(N2CC(CCC2)Cc3ccc(cc3)F)=O)C1)NC(OCc4ccccc4)=O	10
+c1ccccc1COC(=O)NC2C(CNCC2)OC	2
+c1ccccc1COC(NC2CN(c3nc(c(C(OCC)=O)s3)C)CCC2NC(c4[nH]c(Cl)c(CC)n4)=O)=O	4086
+CC(C)(C)OC(=O)N1CC(C(O)=O)C(C1)CN(C(C)C)C(=O)c2cc(c(cc2)OC)OCCCOC	3
+CC(C)(C)OC(=O)N1CC(C(C1)CN(C(C)C)C(C2CC(Nc3ccccc23)=O)=O)Cc4ccccc4	10
+CC(C)(C)OC(N1CC(c2ccccc2)C(C1)C=O)=O	24
+CC(C)(C)OC(N1CC(C(OCC)=O)C(C1)CO)=O	21
+CC(C)(C)OC(=O)N1CC(CN(C(C)C)C(c2cc(c(cc2)OC)OCCCOC)=O)C(CO)C1	21
+CC(C)(C)OC(N1CC(C(=O)NCc2ccccc2)C(CN(C(=O)c3cc(c(cc3)OC)OCCCOC)C(C)C)C1)=O	9
+CC(C)(C)OC(N1CC(C(=O)Nc2cc(Cl)ccc2O)CCC1C)=O	33
+CC(C)(C)OC(=O)N1CC(C(=O)N(C)OC)CCC1C	164
+CC(C)(C)OC(=O)N1CCCC(C(OCC#N)c2cc(Cl)cc(c2)F)C1	4087
+CC(C)(C)OC(N1CC(C(CC1)=O)OC)=O	7223
+CC(C)(C)OC(=O)N1CC(N(C(=O)c2n(c3c(cccc3)n2)CCCCOC)CC(C)C)CC(C1)C(=O)OC	4088
+Clc1cccc(C=CC(=O)N2C(C(OC)=O)CNCC2)c1	2
+CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O	74
+CC(C)(C)OC(N1CCOC(c2ccc(c(Cl)c2)Cl)C(CNS(=O)(=O)C)C1)=O	111
+CC(C)(C)OC(=O)N1CC(C=O)C(CC1)c2ccc(cc2)F	24
+CC(C)(C)OC(=O)N1CCC(c2ccc(cc2)OCCCOCc3c(F)cccc3)C(=NOCc4ccccc4)C1	350
+CC(C)(C)OC(=O)N1CCC(C(C)(C)C1)N	316
+CC(C)(C)OC(=O)N1CC(C)(C)C(Cc2ccc(cc2)Cl)(CC1)O	3892
+CC(C)(C)OC(=O)N1CCC(C(C)(C)C1)NCc2ccccc2	87
+c1cc(ccc1CC2(O)CCNCC2(C)C)Cl	2
+CC(C)(C)OC(=O)N1CC(C)(C)c2cc(c(Cc3ccc(cc3)F)cc12)C#N	160
+CC1(C)c2c(NC1)cc(c(C#N)c2)Cc3ccc(cc3)F	396
+CC(C)(C)OC(=O)N1CC(CCC1CNCc2ccccc2)C	110
+c1(-c2ccsc2)cc(cc(c1)N3C(CNCC3)C)F	2
+CC(C)(C)OC(N1CC(N(c2c3CN(c4cc(C(C)C)ccc4C)CCc3nc(n2)-c5c(C)cccc5C)CC1C)C)=O	908
+CN(C)C(c1cc(Cl)cc2c1oc(N3CCNCC3C)n2)=O	2
+CC(C)(C)OC(=O)N1CC(N(c2nc3c(c(cc(Cl)c3)C(=O)OCC)o2)CC1)C	2647
+CC(C)(C)OC(=O)N1CC(C)N(c2cc(-c3cscc3)cc(F)c2)CC1	79
+CC(C)(C)OC(N1CC(C)N(CC1)c2ccc([N+]([O-])=O)nc2)=O	244
+CC(C)(C)OC(N1CC(N(Cc2ccc(cc2)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5)CC1)C)=O	48
+CC(C)(C)OC(=O)N1CCN(C(C)C1)c2c3c(nc(n2)N)ccc(n3)-c4ccc(cc4)F	7224
+CC(C)(C)OC(N1CC(N(CC1)Cc2ccccc2)C)=O	131
+CC(C)(C)OC(N1CC(N(CC1)c2c3c(COC3C)ncn2)C)=O	54
+CC(C)(C)OC(N1CC(C1)(C2N(CCCC2)C)CN)=O	51
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2n3ncc(-c4cnn(C5(CNC5)CC#N)c4)cc3nc2	2
+C1NCC1(C2CCCCN2C)CNC(=O)c3c(ccc(F)c3Cl)F	2
+CC(C)(C)OC(N1CC(C1)C2CCN(CC2)C(=O)c3sccn3)=O	1999
+CC(C)(C)OC(=O)N1CC(C1)CNc2nc(nc3c2scc3)Cl	3925
+C1C(CN1)CNc2nc(nc3c2scc3)Cl	2
+CC(C)(C)OC(N1CC(C1)COS(=O)(=O)C)=O	7
+FC(F)(F)C(N1CC(C1)Cc2c(OC)cccc2)=O	7225
+C1NCC1Cc2onc(-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)n2	2
+FC(F)c1sc(C(Nc2n(CC3CNC3)c4ccccc4n2)=O)cc1	2
+C1NCC1N(C)C(C)(C)C(N)=O	2
+C1NCC1N2CCNC(=O)C2	2
+CC(C)(C)OC(N1CC(C1)N2CCN(CC2)C(CNc3c(OC)cc(Cl)c(I)c3)=O)=O	10
+C1COCCN1C2CNC2	2
+C1NCC1NC(Nc2cc(F)c(cc2)Oc3c4c(ncc3)cc(s4)-c5ccc(cn5)C6OCCO6)=O	2
+CC(C)(C)OC(N1CC(C1)c2c(OC)c(cc(Cl)c2C)C(C)N)=O	1354
+CC(C)(C)OC(=O)N1CC(C1)c2c(c(cc(c2F)Cl)C(O)C)OC	74
+C1NCC1c2nc(no2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C	2
+CC(C)(C)OC(N1CCC(C1)c2cc(Cl)n3c(ccn3)n2)=O	1591
+CC(C)(C)OC(=O)N1C(C(=O)OC)CC(CCO)C1	21
+CC(C)(C)OC(N1CC(N(CC(C)C)C(=O)c2nc3c(cccc3)n2CCCCOC)CC(C1)C=4NOC(=O)N=4)=O	7226
+CC(C)(C)OC(N1CC(CC(C(N2CCOCC2)=O)C1)NS(=O)(=O)c3c(cccc3)[N+](=O)[O-])=O	71
+CC(C)(C)OC(N1CC(O[Si](C)(C)C(C)(C)C)CC(C1)CN=[N+]=[N-])=O	600
+CC(C)(C)OC(=O)N1CC(N2c3cccc(Cl)c3-c4noc(c4C2=O)C)CC(CN)C1	18
+CC(C)(C)OC(N1CC(C(=O)N)CC(N(C(c2n(c3c(cccc3)n2)CCCCOC)=O)CC(C)C)C1)=O	83
+CC(C)(C)OC(N1CC(CC(N(C(c2nc3c(cccc3)n2CCCCOC)=O)CC(C)C)C1)c4onc(C)n4)=O	1166
+CC(C)(C)OC(N1CC(C(=O)O)CC(N=[N+]=[N-])C1)=O	4
+CC(C)(C)OC(=O)N1CC(CC1)(N2CCC(CC2)Nc3cc(c(F)cc3[N+](=O)[O-])C)C	60
+CC(C)(C)OC(=O)N1CCC(C)(N2CCC(CC2)=O)C1	86
+c1cc(ncc1Br)C(=O)C2CCNC2	2
+C(C1CCNC1)C(OCC)=O	2
+C1N(C(=O)CC)CCC1CC(OCC)=O	1324
+CC(C)(C)OC(=O)N1CC(CS(Cc2ccc(cc2)F)=O)CC1	441
+CC(C)(C)OC(=O)N1CCC(N(Cc2ccc(cc2)Cl)CC(NCC)=O)C1	9
+C1CN(CCN1C(=O)Nc2cc(Cl)c(Cl)cc2)C3CNCC3	2
+O=S(=O)(N)c1cc(c(NC2CCNC2)cc1)[N+]([O-])=O	2
+c1(ncnc2n(c(nc12)C(=O)OC)CC)NC3CNCC3	2
+CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(cc3)Oc4ccccc4)c5c2ncnc5N)C1	2123
+CC(C)(C)OC(=O)N1CC(F)CC1C#N	2124
+CC(C)(C)OC(N1C(CC(C1)F)C(=O)NCc2ncc(c(-c3ccc(nc3)C(F)(F)F)c2)Cl)=O	9
+CC(C)(C)OC(N1C(C(=O)NCc2cc(C(OC)=O)cc(Cl)c2F)CC(C1)F)=O	9
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)CCP(OCC)(OCC)=O	1586
+CC(C)(C)OC(N1C(CC(C1)Nc2c3c(cccc3)nc(-c4ccccc4OC)n2)C(OC)=O)=O	40
+N1(CCSC1)C(=O)C2NCC(CNC(c3cccc(-c4nnn[nH]4)c3)=O)C2	255
+CC(C)(C)OC(=O)N1CC(OC)CC1C(=O)Nc2ccc(cc2F)-n3ccc(C)n3	33
+CC(C)(C)OC(=O)N1CC(OC)CC1C(=O)Nc2c(cc(N3CCCCC3=O)cc2)F	33
+CC(C)(C)OC(=O)N1CC(c2ccccc2)CC1COC	21
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)c2ccc(cc2)C)CC1C(OCC)=O	36
+c1cc(ccc1)C2CNC(C)C2	2
+CC(C)(C)OC(N1C(CC(NS(=O)(=O)c2c(ccc(Br)c2)OC)C1)CN3C(c4ccccc4C3=O)=O)=O	71
+CC(C)(C)OC(N1CC(c2ccccc2)CC1COS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1CCCC(c2nc(-c3cc(C(C)C)c[nH]3)on2)C1)=O	3786
+CC(C)(C)OC(=O)N1CC(CCC1)C(c2cc(ccc2C)F)O	74
+CC(C)(C)OC(=O)N1CC(C(O)c2cc(cc(c2)Cl)F)CCC1	74
+CC(C)(C)OC(N1CC(C#N)CCC1)=O	143
+CC(C)(C)OC(=O)N1CCCC(C(c2cc(ccc2C)F)OCC#N)C1	4087
+CC(C)(C)OC(=O)N1CCCC(C1)CNc2c3nccnc3cc(-c4cn(Cc5ccccc5)nc4)n2	1675
+CC(C)(C)OC(=O)N1CCCC(COc2ccccc2O)C1	16
+c1cc(ccc1-n2c(nc3c(NC4CCCNC4)ncnc23)-c5c(cccc5)Cl)Cl	2
+CC(C)(C)OC(N1CC(CCC1)c2cc(nc(N)c2C(N)=O)-c3ccccc3OCc4ccccc4)=O	4089
+FC1(F)Oc2ccc3c4n(nc(C5CNCCC5)n4)c(N)nc3c2O1	2
+CC(C)(C)OC(N1C(CCC(C1)C#N)C)=O	143
+CC(C)(C)OC(=O)N1C(CCC(N(C(OCc2ccccc2)=O)C(C)C)C1)CCO	21
+CC(C)(C)OC(N1CC(C)CCC1CN)=O	273
+CC(C)(C)OC(=O)N1c2cc(OC(=O)C)c3c(cccc3)c2C(CCl)C1	385
+CC(C)(C)OC(N1CC(c2c1cc(N)c3ccccc23)CCl)=O	0
+CC(C)(C)OC(N1CC(C(CN(C(=O)c2cc(c(cc2)OC)OCCCOC)C(C)C)C1)CNC(C)C)=O	110
+CC(C)(C)OC(=O)N1CC(CN(C(C)C)C(=O)c2cc(c(cc2)OC)OCCCOC)C(C=O)C1	24
+CC(C)N(CC1CNCC1CO)C(c2ccc(c(c2)OCCCOC)OC)=O	2
+CC(C)(C)OC(N1CCCC(CNc2c(cnc(n2)NCc3cc(c(F)cc3)F)[N+](=O)[O-])C1)=O	96
+CC(C)(C)OC(N1CCCC(F)(C1)CNc2nc(cc3c2cccn3)-c4cn(nc4)CC)=O	1675
+CC(C)(C)OC(N1CCC(C(COc2c(cc(I)cc2)C#N)C1)c3ccc(cc3)Cl)=O	57
+CC(C)(C)OC(N1CC(N2C(c3c(noc3C)-c4c(Cl)cccc24)=O)CC(COS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(N1CC(C=O)CC1)=O	24
+CC(C)(C)OC(=O)N1CCC(C1)COc2c(I)nc(c(Br)c2)Cl	1286
+CC(C)(C)OC(N1CC(COS(=O)(=O)C)CC1)=O	7
+CC(C)(C)OC(N1CC(CCC1)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1CC(CCC1)COc2ccccc2OCc3ccccc3	126
+CC(C)(C)OC(N1CC(N(Cc2ccccc2)CC1C)CO)=O	48
+CC(C)(C)OC(N1c2c(c3cccnc3c(OCc4ccccc4)c2)C(COS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(=O)N1CC(COCc2ccc(cc2)OC)N(c3ccc(cc3)OCCCOCc4ccc(cc4)Cl)CC1	555
+c1cc(ccc1N2CCNCC2COCc3ccc(cc3)OC)OCCCOCc4ccc(cc4)Cl	2
+c1cc(ccc1)COCC2CNCC(=O)N2c3ccc(cc3)OCCCOCc4c(cccc4)OC	255
+CC(C)(C)OC(=O)N1CC(c2cc(OC)ccc2C1)CC#N	300
+CC(C)(C)OC(N1CC(COc2nc(-c3cnn(c3)CC)cc4c2cccn4)(CCC1)F)=O	1675
+c1cc(ccc1)CS(=O)CC2CNCC2	2
+c1cc(ccc1CS(CC2CNCC2)=O)F	2
+CC(C)(C)OC(=O)N1CC(CS(=O)Cc2ccccc2)CC1	441
+CC(C)(C)OC(N1CC(Cc2ccccc2)C(C=O)(F)C1)=O	24
+C1CC1C#Cc2cnc(nc2)N3CCN(CC3)c4nc(ncn4)Nc5cn(nc5)CC6CNCCO6	2
+CC(C)(C)OC(=O)N1CCCC(F)(C1)CN	18
+CC(C)(C)OC(=O)N1CC(F)(F)C(CC(=O)OCC)CC1	774
+CC(C)(C)OC(N1CC(F)(F)C(CCO)CC1)=O	44
+CC(C)(C)OC(=O)N1C(CCC(=O)OCC)CC(F)(F)C1	783
+CC(C)(C)OC(N1CC(F)(F)CC1C=O)=O	24
+CC(C)(C)OC(=O)N1CC(CC(N(C(=O)c2nc3ccccc3n2CCCCOC)CC(C)C)C1)C(=O)O	4
+CC(C)(C)OC(=O)N1CC(COCc2ccccc2)N(C(=O)C1)c3ccc(cc3)OCCCOCc4c(cccc4)OC	149
+CN(C)C1CN(CCC1NC(=O)c2nc(c(Cl)[nH]2)CC)c3sc(C(OCC)=O)c(C)n3	4086
+CC(C)(C)OC(=O)N1CC(C)N(c2nc3c(c(cc(Cl)c3)C(N(C)C)=O)o2)CC1	1859
+CC(C)(C)OC(=O)N1CC(CC1)N(Cc2ccc(cc2)Cl)CC(=O)O	4
+c1cc(ccc1CN(C2CNCC2)CC(=O)OC)Cl	2
+O=S(=O)(c1ccccc1[N+](=O)[O-])N(OCC=C)C2CNC(COC)C=C2C(N(C)C)=O	366
+O=S(=O)(c1c(cccc1)[N+]([O-])=O)N(OCC=C)C2CNC(C(=O)N)C(C)=C2	7227
+CC(C)(C)OC(=O)N1CC(N(CC1)c2oc3c(cc(cc3C(=O)O)Cl)n2)C	6
+CC(C)(C)OC(=O)N1CC(CO)CC(C1)N2c3cccc(Cl)c3-c4noc(c4C2=O)C	647
+CC(C)(C)OC(N1CC(CNC(=O)c2ccccc2)CC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C1)=O	93
+CC(C)(C)OC(=O)N1C(CC(N=[N+]=[N-])C1)CO	95
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N	18
+C1C(N=[N+]=[N-])CNC1Cc2c3c(cccc3)[nH]c2C	2
+C1C(CCCN1)NC(=O)NC2C3C(OC2)C(CO3)Oc4c(nccc4)C	2
+CC(C)(C)OC(=O)N1CC(C(CC1)NC(c2[nH]c(Cl)c(CC)n2)=O)NC(OCc3ccccc3)=O	855
+CC(C)(C)OC(N1C(CC(C1)NC(=O)c2ccc(s2)Cl)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1CC(CC(C(=O)N2CCOCC2)C1)N	102
+CC(C)(C)OC(N1CC(N(CCC1)Cc2ccccc2)=O)=O	806
+Clc1ncc(F)c(NC2CCCNC2)n1	2
+CC(C)(C)OC(=O)N1CC(n2c3c(cnc4c3scc4)nc2C(C)O)CCC1	7228
+CC(C)(C)OC(=O)N1CC(Nc2c(N)cnc3c2scc3)CCC1	13
+CC(C)(C)OC(=O)N1CCCC(N(C)c2ncc(C#N)c3sc(Br)cc23)C1	1347
+CC(C)(C)OC(N1CCC(N(c2c3ccccc3cc(C#N)n2)C)C1)=O	1347
+CC(C)(C)OC(N1CC(OS(=O)(=O)C)CC(C1)C(OC)=O)=O	7
+C[Si](C)(C)CCOCn1c(nc(-c2ccc(cc2)Br)c1)C3N(C(=O)OC(C)(C)C)CC(C3)O	1073
+c1cc(ccc1C2C(OC(NCCCC)=O)CNC2)F	2
+C1(OC)C(CCNC1)N=[N+]=[N-]	2
+c1(ccc(NC(=O)C2NCC(OC)C2)c(F)c1)N3CCCCC3=O	255
+COC1CNC(C1)C(Nc2c(F)cc(cc2)-n3nc(C)cc3)=O	255
+CC(C)(C)OC(=O)N1CC(OCC1)C(NCCc2cc(OC)c(NC(=O)Nc3ncc(C#N)nc3)cc2Cl)=O	446
+CC(C)(C)OC(=O)N1CC(OCC1)C(NCCc2c(cc(c(OC)c2)N)Cl)=O	0
+c1cc(ccc1Cl)NC(=O)NCC2CNCCO2	2
+O1CCN(CC1CO)C	352
+CC(C)(C)OC(N1CC(COS(=O)(=O)C)OCC1)=O	7
+c1cc(ccc1N2CCOCC2)-c3nc(OCC4CNCCO4)c5c(nccn5)c3	2
+CC(C)(C)OC(N1C(C(=O)OC)CC(O)C1)=O	118
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1C(=O)OC	298
+CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1Cc2c(C)[nH]c3c2cccc3	298
+CC(C)(C)OC(=O)N1C(C(OCC)=O)CC(N=[N+]=[N-])C1	2780
+CC(C)(C)[Si](C)(C)OC1C(CN(C(OC(C)(C)C)=O)C1)C=O	24
+CC(C)(C)OC(=O)N1CC(COS(=O)(=O)C)c2cc(ccc2C1)OC	7
+FC(F)(F)Oc1ccc(cc1F)C2CN(CC(c3nc(OCC)no3)C2)C(OC(C)(C)C)=O	4090
+CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2	88
+c1cc(ccc1-c2n(C3CNCCC3)nc(N)c2C(=O)N)Oc4ccccc4	2
+CC(C)(C)OC(=O)N1CC(CC1)n2nc(-c3ccc(cc3)Nc4oc5c(cc(C)cc5C)n4)c6c(N)ncnc26	918
+CC(C)(C)OC(=O)N1CC2(C1)CCN(CC2)C(COc3ccc(cc3C(C)C)C#N)=O	3193
+C1C2(CN1)CCN(CC2)C(COc3ccc(cc3C(C)C)C#N)=O	2
+CC(C)(C)OC(N1CC2(C1)OCc3c2cnc(C4=NOC(C(F)(F)F)(c5cc(Cl)c(c(Cl)c5)F)C4)c3)=O	7229
+CC(C)(C)OC(=O)N1CC2(C1)OCc3c2cnc(C=NO)c3	688
+c1cc(ccc1Oc2ccccc2)-c3c(ncnc3N)NC4CC5(CNC5)C4	2
+CC(C)(C)OC(N1CC2(C1)CC(C2)OS(=O)(=O)C)=O	7
+C1CCCC12C(CNC2)Nc3c(cnc(n3)Nc4cn(C)nc4)C	2
+C1C2(CN1C(NCc3ccc(cc3Cl)Cl)=O)CNC2	2
+CC(C)(C)OC(=O)N1CC2(CN(C2)C3CCNCC3)C1	25
+C1CC1COc2ccc3C(=O)N(c4cc(c(cc4)N5CC6(CC5)CCNC6)F)C=Cc3c2	2
+CC(C)(C)OC(N1CC2(CN(c3cc(c(Oc4ccc(cc4)Oc5cc(ccc5)F)nc3)C(OC)=O)CC2)CC1)=O	2064
+CC(C)(C)OC(N1CC2CC(CC#N)CC(c3ccccc3)(O)C2C1)=O	677
+CC(C)(C)OC(N1CC2C(CCC(O)C2)C1)=O	4091
+C1C2C(CN1C(=O)c3ccccc3)CNC2	2
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)c3cncc(C(=O)Nc4ccc(cc4)Cl)c3	246
+CC(C)(C)OC(=O)N1CC2CN(CC2C1)c3ccc4n(c(-c5ccnc(N)c5)c(n4)-c6ccc(cc6)Cl)n3	212
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)C(c3ccccc3)=O	115
+CC(C)(C)OC(N1CC2CC(C)CC2C1C=O)=O	24
+CC(C)(C)OC(N1CC2CC(CC2C1)Nc3c(Cl)cnc(n3)Cl)=O	40
+n1ccnn1-c2c(cccc2F)C(N3CC4CCNCC34)=O	2
+CC(C)(C)OC(N1CC2C(CC(C2)NCc3ccccc3)C1)=O	87
+CC(C)(C)OC(N1CC2CC(CCC2C1)N)=O	316
+o1nc(cc1C=2C3CC(CC=2)CN3)C	366
+CC(C)(C)OC(N1CC2CC1CN2c3cc(C(=O)NCC(NC(C)C)=O)c([N+](=O)[O-])cc3)=O	34
+CC(C)(C)OC(=O)N1CC2CC1CN2c3nc(cc(-c4cc(ncc4)Cl)n3)C	3956
+CC(C)(C)OC(N1C2CN(c3nc(-c4ccnc(c4)Cl)cc5nccn35)C(C1)C2)=O	7230
+CC(C)(C)OC(=O)N1CC2CC1CN2c3nc(cc(n3)-c4cc(NC(c5ccccc5)C)ncc4)C	70
+c1ccccc1C(Nc2nccc(-c3nc(N4C5CNC(C4)C5)nc(c3)C)c2)C	2
+CC(C)(C)OC(=O)N1CC2CC2(C1)c3ccc(cc3)NCc4ccccc4	250
+CC(C)(C)C(CN1CC2CNCC(C1)O2)=O	2
+C1C2CNCC(CN1CCN(S(=O)(=O)C)CCOc3ccc(cc3)C#N)O2	2
+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)c3cncc(C(=O)O)c3	6
+C1C2C(CN1c3ccc4n(n3)c(-c5ccnc(N)c5)c(n4)-c6ccc(cc6)Cl)CNC2	2
+c1cc(ccc1S(=O)(=O)N2C3CNCC2Cc4c3cn[nH]4)Cl	2
+CC(C)(C)OC(=O)N1CCN2CC(COS(=O)(=O)C)CCC2C1	7
+CC(C)(C)OC(N1C(c2ccn(n2)Cc3ccc(cc3)F)CN4CCCC4C1)=O	1944
+CC(C)(C)OC(=O)N1CCC2CCCC(C1)N2C(=O)CC	2781
+CC(C)(C)OC(N1CC2c3c(C(C1)C2)cc([N+](=O)[O-])c(N)c3)=O	0
+C1CN(CCN1C(C(c2ccc(cc2)F)C3=CCN(C)CC3)=O)CCCCc4cccc5ccccc45	352
+FC(F)(F)c1c(C=2CCNCC=2)cccc1	366
+CC(C)(C)OC(=O)N1CC=C(CC1)c2c[nH]c3c2cc(nc3C(N)=O)-c4ccccc4	2782
+CC(C)(C)OC(=O)N1CC=C(CC1)c2c3c([nH]c2)c(nc(c3)-c4ccccc4)C#N	4092
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3cc(nc(C(N)=O)c3[nH]c2)-c4ccccc4	671
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(Nc3nccc(c3)C)nc(N(CCO)C)c2	191
+CC(C)(C)OC(=O)N1CCC(CC1)c2c[nH]c3c(cc(Br)cc23)C(N)=O	671
+C1=C(CCNC1)c2cc3c(c(nnc3cc2OC)C(=O)N)Nc4c(F)cc(C)cc4	366
+CC(C)(C)OC(N1CC=C(CC1)c2cc3c(ncnc3[nH]2)-c4cc(F)ccc4OC)=O	1017
+c1(sc(-c2c(OC)cc(-n3cccn3)cc2)nn1)C4=CCNCC4	366
+CC(C)(C)OC(N1CC(C(=O)O)=C(c2ccc(cc2)OCc3onc(-c4c(F)ccc(F)c4Cl)c3)CC1)=O	127
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3C(C)CCc3ncn2	1676
+CC(C)(C)OC(=O)N1CCC(CC1)c2c[nH]c3ccc(C#N)cc23	671
+CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(c3ccccc23)-c4ccc(cc4)[N+]([O-])=O	1995
+c1nc(ncc1CCC)N2CCC(CC2)C3Cc4c(O3)c(cc(c4)C5=CCNCC5)F	366
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(c(C(N)=O)cc2)-c3ccc(cc3)C(OC)=O	1676
+C1CC(=Cc2c(ccc(-c3cc(c(cc3)OCC)F)c2)N1)C(=O)OC	396
+CC(C)(C)OC(N1Cc2c([nH]nc2CC1)C(=O)OCC)=O	2783
+CC(C)(C)OC(=O)N1CCC(=O)CC1C(=O)OC	325
+CC(C)(C)OC(N1CCC(=C)CC1C(=O)OC)=O	7231
+CC(C)(C)OC(=O)N1CCC(N(CCCCN(C2Cc3c(CC2)ccc(OC)c3)CCC)CC1)=O	61
+CC(C)(C)OC(=O)N1CCC(N(CC1)CCCC(OC)OC)=O	638
+CC(C)(C)OC(=O)N1CC(CC1)(N2CCC(CC2)O)C	2784
+CC(C)(C)OC(N1CC(C(=O)N(CC(C)C)Cc2cc3c(OCCCO3)c(Cl)c2)CC1)=O	10
+CC(C)(C)OC(N1CC(C(N(OC)C)=O)CC1)=O	164
+CC(C)(C)OC(=O)N1CC(C(NCC=2C(c3ccc(cc3N(C=2)c4ccccc4)Cl)=O)=O)CC1	1475
+CC(C)(C)OC(=O)N1CC(C(CC1)N)C(=O)N2CCCC(C2)Cc3ccc(cc3)F	102
+CC(C)(C)OC(=O)N1CCC(Nc2c(C(=O)N)cnn3cc(Br)cc23)C(C)(C)C1	719
+CC(C)(C)OC(=O)N1CCC(C(C)(C)C1)NC(=O)CC2N(S(=O)(=O)c3ccc(cc3)C)C=CNC2=O	9
+c1cc(ccc1C)S(=O)(=O)N2C=CNC(=O)C2CC(=O)NC3C(C)(C)CNCC3	2
+CC(C)(C)OC(=O)N1CCC(C(C)(C)C1)N	273
+CC(C)(C)OC(=O)N1CC(CO)C(CC1)c2ccc(cc2)Cl	88
+CC(C)(C)OC(=O)N1CCC(N2CCC(CC2)N3c4ccccc4NC3=O)(C)C1	1989
+CC(C)(C)OC(=O)N1CC(CC1)(C)N2CCC(CC2)N	316
+CC(C)(C)OC(=O)N1CCC(C)(C1)N2CCC(CC2)Nc3c(cccc3)N	231
+CC(C)(C)OC(N1CCC(C1)C2OC2)=O	7232
+CC(C)(C)OC(=O)N1CCC(C1)COc2cc(Br)c(Cl)nc2C#N	4094
+CC(C)(C)OC(=O)N1CC(CC1)N(CCCN(C)C)c2ccc(c(Cl)c2)F	53
+CC(C)(C)OC(=O)N1CCC(N(C(c2ccc(cc2)-n3c4ccccc4nc3C)=O)C)C1	497
+Clc1ccc(c(Cl)c1)CNC2CNCC2	2
+c1c(NC2CNCC2)ccc(C#N)c1Cl	2
+c1cc(ccc1OC2CCNC2)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5	2
+CC(C)(C)OC(=O)N1CCC(CC1)(COC)C(=O)Nc2cccc(OC(N(C)C)=O)c2	33
+CC(C)(C)OC(N1CCC(CC1)(Cc2ccccc2C)N)=O	7233
+CC(C)(C)OC(=O)N1CCC(CC1)(COCc2ccccc2)CO	95
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)CO	95
+CC(C)(C)OC(N1CCC(CC1)(N)CO)=O	44
+C1CC(CCC1)COC(C2(CCNCC2)Cc3ccc(cc3)C#N)=O	2
+CC(C)(C)OC(N1CCC(CC1)(c2oc3cnc(cc3c2)Cl)C)=O	4096
+C1CNCCC1(C)CCC=C	2
+CC(C)(C)OC(N1CCC(CC1)(C)N2CCC(CC2)NC3C(CC#N)CCCC3)=O	87
+CC(C)(C)OC(=O)N1CCC(CC1)(C)N2CCC(CC2)=O	86
+CC(C)(C)OC(=O)N1CCC(CC1)(C2CCCCC2)C=O	24
+CC(C)(C)OC(=O)N1CCC(CC1)(COS(=O)(=O)C)C2CCCCC2	7
+CC(C)(C)OC(N1CCC(CC1)(CNC2CC2c3ccccc3)COCC4CCC4)=O	110
+CC(C)(C)OC(=O)N1CCC(CC1)(CCC=O)C(=O)OCC	465
+CC(C)(C)OC(N1CCC(CC1)(CCCNc2ccc(nc2C)N3CC(CC3)N4CCCC4C)C(=O)OCC)=O	839
+CC(C)(C)OC(N1CCC(CC1)(CCO)C#N)=O	35
+C1CC(CCN1)(C(=O)OCC)CCOc2ccccc2	2
+C1CNCCC1(C2CCCCC2)CN=[N+]=[N-]	2
+FC(F)(F)CNCC1(CCNCC1)CO	2
+CC(C)(C)OC(N1CCC(CC1)(COS(=O)(=O)C)CCC=C)=O	7
+CC(C)(C)OC(N1CCC(CC1)(NC(=O)OCc2ccccc2)CF)=O	559
+C1CNCCC1(C(Nc2cccc(OC(N(C)C)=O)c2)=O)COC	2
+CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)COC	3
+CC(C)(C)OC(=O)N1CCC(CC1)(C=O)COCC2CCC2	24
+CC(C)(C)OC(=O)N1CCC(CC1)(COCC2CCC2)CO	118
+CC(C)(C)OC(=O)N1CCC(CC1)(CN=[N+]=[N-])C2CCCCC2	133
+CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)Cc2c(cccc2)C	210
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)CNC3CC3c4ccccc4	110
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)F)C=O	24
+C1CNCCC1(Cn2ncc(-c3cnc(c(OC(C)c4c(ccc(F)c4Cl)Cl)c3)N)c2)O	2
+CC(C)(C)OC(N1CCC(CC1)(CN)F)=O	45
+CC(C)(C)OC(N1CCC(CC1)(F)CNC(N)=S)=O	7234
+CC(C)(C)OC(=O)N1CCC(CC1)(C)N2CCC(CC2)O	2784
+CC(C)(C)OC(=O)N1CCC(CC1)(C(OCC)=O)N	1388
+CC(C)(C)OC(=O)N1CCC(CC1)(NC(OCc2ccccc2)=O)C(N)=O	83
+CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)N)N	334
+CC(C)(C)OC(=O)N1CCC(CC1)(N(Cc2c(cc3ncnc(c3c2)Nc4c(c(ccc4)Cl)F)OC)C)C(N)=O	7235
+CC(C)(C)OC(=O)N1CCC(c2ccc(cc2)Oc3ccccc3)=CC1	252
+CC(C)(C)OC(=O)N1CCC(c2cccc(c2F)F)=CC1	252
+CC(C)(C)OC(=O)N1CCC(CC1)(OC)c2n(C)ccn2	76
+C1CC(CCN1)(OC)C	2
+C1CNCCC1(OC)c2n(C)ccn2	2
+CC(C)(C)OC(N1CCC(CC1)(COc2cc(ccc2)OC)c3ccc(cc3)Br)=O	8
+CC(C)(C)OC(N1CCC(CC1)(CO)c2ccc(cc2)F)=O	21
+CC(C)(C)OC(N1CCC(CC1)(CO)c2ccccc2)=O	21
+CC(C)(C)OC(N1CCC(CC1)(c2scc(n2)-c3c(c4c(cc3)N(C(C)CC4)C(OC)=O)OC5CCC5)O)=O	7236
+CC(C)(C)OC(N1CCC2(CC1)ON=C(C(=O)OCC)C2)=O	7237
+CC(C)(C)OC(N1CCC2(CC1)ON=C(C2)Cc3ccccc3)=O	7238
+CC(C)(C)OC(N1CCC(CC1)=C(c2ccc(cc2)C(N(CC)CC)=O)c3c(O)cccc3)=O	7239
+Fc1cc(cc(F)c1)C#CC=C2CCNCC2	2
+CC(C)(C)OC(=O)N1CCC2(CC1)C(C(OCC)=O)C2	7240
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(Oc3ccc(C4CC4)cn3)ccc2	940
+C1CCN(C1)c2cnc(Oc3cc(C=C4CCNCC4)ccc3)cc2	2
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(Oc3ccc(cn3)OC(C)C)ccc2	7241
+CC(C)Oc1ccc(Oc2cc(C=C3CCNCC3)ccc2)nc1	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc3cnc(cc3c2)Cl	4096
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(COCc3ccccc3)on2	4097
+C1CC(CCN1)C(N2Cc3c(CC2)cc(OC)c(OC)c3)=O	2
+CC(C)(C)OC(N1CCC(CC1)C(CN2CCN(CC2)c3ccc(cc3)S(=O)(=O)C)=O)=O	3933
+CC(C)(C)OC(N1CCC(CC1)c2nc(CCl)cs2)=O	7242
+CC(C)(C)OC(=O)N1CCC(CC1)c2sc(-c3nc(ncc3)Cl)c(n2)-c4cccc(c4F)NC(OCC=C)=O	873
+CC(C)(C)OC(=O)N1CCC(CC1)c2sc(c(n2)-c3cccc(NC(=O)c4c(cccc4F)F)c3)-c5nc(ncc5)Cl	873
+FC(F)(F)c1ccccc1CNC(C2CCNCC2)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(O)c3c(cccc3-c4ccccc4)n2	1677
+CC(C)(C)OC(=O)N1CCC(CC1)c2[nH]c3ccc(cc3n2)-c4cn(c5cc(F)ccc45)S(=O)(=O)c6ccccc6	791
+CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(c2cc(c(Cl)cc2)Cl)CC	988
+C1CNCCC1C(=O)Nc2ccc(cc2)C(C)C	2
+CC(C)(C)OC(N1CCC(CC1)C(c2ccc(cc2)Br)Oc3cccc(Cl)n3)=O	91
+CC(C)(C)OC(=O)N1CCC(CC1)C2C(C2)COCc3ccc(SC)cn3	7243
+C1CNCCC1C2COC2	2
+CC(C)(C)OC(=O)N1CCC(CC1)C=2n3nc4c(c(ccc4)-c5c(OCC)cccc5)c3NC(C=2)=O	7244
+CC(C)(C)OC(N1CCC(CC1)CNC2C(C2)c3ccc(cc3)Br)=O	110
+FC(F)(F)c1cn(CC2CCN(CC2)C(=O)OC(C)(C)C)c3c1c(ncn3)Cl	4098
+CC(C)(C)OC(N1CCC(CC1)COc2cccc(Oc3c(N)cc4c(c3)N(C(=O)N4C)C)c2)=O	8
+CC(C)(C)OC(=O)N1CCC(CC1)COc2c3c(c(nc2)Cl)nc(-c4c(N)non4)n3CC	2448
+C1CNCCC1CC#Cc2c3c(c(nc(CCCC)n3)N)n(COCc4ccccc4)c2	2
+O=S(=O)(c1ccc(cc1)NC(CC2CCNCC2)=O)C	2
+C1CC(CCN1)CC(C)(C)C(OC)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)CC(C)(C)C(OC)=O	1389
+CC(C)(C)OC(N1CCC(CC1)CC(=O)N(C2CCNCC2)CC)=O	62
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)N2CC(C(=O)NCCC(O)=O)CCC2	4
+CC(C)(C)OC(=O)N1CCC(CC1)CC(C)C(=O)OC	2544
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C2)C(NC(CC(O)=O)c3ccc(cc3)OCCF)=O)=O	4
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C(=O)NC(CC(OC)=O)c3ccc(cc3)OCCF)C2)=O	116
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C(NC(c3ccc(cc3)O)CC(OC)=O)=O)C2)=O	9
+C1CC(CCN1)CCCC(N)=O	2
+C1CC(CCN1)CCCC(OCC)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)CCCC(=O)N	2125
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCNC(c2cc3cnccc3[nH]2)=O	81
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCN	45
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCN2C(c3c(cccc3)C2=O)=O	332
+C1CC(CCN1)CCCN2C(=O)c3c(N=C2C)c(OC)ccc3	2
+CC(C)(C)OC(=O)N1CCC(CC1)CCCOc2cccc(c2)CC(O)=O	4
+C1CNCCC1CCOc2c(cc3c(c2)nccc3Oc4ccc(c(Cl)c4)NC(NC5CC5)=O)C#N	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)Nc2c([N+](=O)[O-])ccc(c2)-c3cccs3	675
+CC(C)(C)OC(N1CCC(CC1)CNc2c(cnc(Br)c2)[N+]([O-])=O)=O	105
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(ccc2)Cl	250
+FC(F)(F)Cc1sc2ncnc(NCC3CCN(CC3)C(=O)OC(C)(C)C)c2c1	1108
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(nc3n2ncc3Br)-c4c(Cl)cccc4	1005
+CC(C)(C)OC(=O)N1CCC(CC1)CNC(c2cc(C)n(Cc3cc(Cl)cc4cc(oc34)-c5ccc(cc5)Cl)n2)=O	81
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ccc(cc2)Cl	250
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ncnc(Cl)c2	40
+CC(C)(C)OC(N1CCC(CC1)CNc2ncc(cn2)Br)=O	96
+c1cc(ccc1N(C(CC)=O)CC2CCNCC2)Cl	2
+CC(C)(C)OC(=O)N1CCC(CC1)CN(C(OC(C)(C)C)=O)C2CC2c3ccc(cc3)C4CC4	365
+C1CNCCC1CN(CCC)C2CCc3ccc(cc3C2)[N+](=O)[O-]	2
+C1CNCCC1CN(c2cccc(Cl)c2)C(CC)=O	2
+C1CC(CCN1)CNC(=O)Nc2c([N+](=O)[O-])ccc(c2)-c3cccs3	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2nc(ncc2C(N)=O)On3c4c(nn3)cccc4	1906
+CC(C)(C)OC(=O)N1CCC(CC1)CN(c2cccc(Cl)c2)C(CC)=O	192
+C1CNCCC1CNc2cc(nc3n2ncc3Br)-c4c(Cl)cccc4	2
+C1CC(CCN1)CNc2cc(ncc2Cl)Nc3ncc(C#N)nc3	2
+C1CC(CCN1)CNc2cc(ncc2N)Nc3ncc(C#N)nc3	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(ncc2N)Nc3ncc(C#N)nc3	13
+CC(C)(C)OC(=O)N1CCC(CC1)CN(C(CC)=O)c2ccc(cc2)Cl	192
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2c(cnc(Cl)n2)C(O)=O	6
+C1CC(CCN1)CNc2nc3c(C(=O)OC)cccc3[nH]2	2
+n1cc(cnc1NCC2CCNCC2)-c3ccc(cc3)S(=O)(=O)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(Nc3cnc(cn3)C#CCO[Si](C)(C)C(C)(C)C)ncn2	4099
+CC(C)(C)OC(N1CCC(CC1)COC(C(c2cccc(c2)O)(c3ccccc3)O)=O)=O	16
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(Br)cc4F	267
+CC(C)(C)OC(=O)N1CCC(CC1)Cn2ccc3cc(ccc23)Br	1854
+CC(C)(C)OC(=O)N1CCC(CC1)COC(=O)C(c2ccccc2)(O)c3cccc(OCc4ccccc4)c3	7245
+CC(C)(C)OC(N1CCC(CC1)COc2c(cnc(Nc3ncc(C#N)nc3)c2)[N+]([O-])=O)=O	2785
+C1CC(CCN1)COc2c3c(OC4CCOC4)cccc3on2	2
+C1CC(CCN1)COc2cc3c(c(Oc4ccc(c(F)c4)NC(NC5CC5)=O)ccn3)cc2C#N	2
+C1CN(CCC1COc2cc3c(cc2OC)c(ncn3)Nc4ccc(Br)cc4F)C	352
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cc3ncnc(c3cc2OC)Nc4c5c(ncc4Cl)OCO5	73
+C1CC(CCN1)COc2cc3ncnc(c3cc2OC)Nc4c5c(ncc4Cl)OCO5	2
+C1CC(CCN1C)COc2ccc(cc2OC)C(=O)OCC	352
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cnc(-n3ccc4c3ccc(NC(=O)C(C)C)c4)cc2	4100
+C1CC(CCN1)COc2ccc3c(ncnc3Nc4[nH]nc(c4)CC(Nc5c(c(F)ccc5)F)=O)c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)Cc2cn(S(=O)(=O)c3ccccc3)c4ccc(F)cc24	367
+CC(C)(C)OC(N1CCC(CC1)CC2CCNCC2)=O	2126
+C1CC(CCN1)Cn2ccc3c2ccc(Br)c3	2
+C1CC(CCN1)N(Cc2c3c(nc(n3CC)-c4c(N)non4)cnc2)C(=O)C	2
+CC(C)(C)OC(N1CCC(CC1)N(C2(CC2)C3CCN(C3)Cc4ccccc4)Cc5ccccc5)=O	4101
+c1cc(ccc1S(=O)(=O)C)-c2ccc(CN(C3CCNCC3)C)cn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)N(c2cc(Cl)cc(C(=O)O)c2C)CC	1
+C1CNCCC1N(Cc2c(Cl)nc(Cl)s2)CC(C)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)N(C(=O)C2CN(Cc3ccccc3)CC2)Cc4ccccc4	7246
+CC(C)(C)OC(=O)N1CCC(CC1)N(c2cc(Cl)cc(C(NCc3c(nc(C)cc3C)O)=O)c2C)CC	14
+C1CC(CCN1)N(CC)c2c(C)c(C(NCc3c(nc(C)cc3C)O)=O)cc(Cl)c2	2
+CC(C)(C)OC(N1CCC(CC1)N2C(N(Cc3onc(CC)n3)c4c(sc(Br)c4)C2=O)=O)=O	7247
+C1CCC2(C1)C(=O)N(C3CCNCC3)N=C2c4cc(c(OC)cc4)OC	2
+C1CNCCC1N2C(NC(=O)c3cc(ccc23)OCC(F)F)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2CCNC(C2)C(=O)N3CCOCC3	679
+CC(C)(C)OC(=O)N1CCC(CC1)N2c3c(cc(cc3)-c4nnn[nH]4)Oc5c2cccc5	424
+C1CC(CCN1)N2c3c(NC2=O)cc(c(C)c3)F	2
+C1CC(CCN1)N2c3ccc(-c4nnn[nH]4)cc3Oc5c2cccc5	2
+CC(C)(C)OC(N1CCC(CC1)N2c3c(cccc3)N(CCN(C)C)C2=O)=O	4102
+CC(C)(C)OC(=O)N1CCC(CC1)N(c2ncccc2)C	323
+CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c2c(-c3[nH]c4c(n3)ccc(C(O)=O)c4)n[nH]c2C	6
+C1CNCCC1NC(c2cc(ccc2)OC(C)(C)C(OCC)=O)=O	2
+C1CC(CCN1)NC(=O)c2cc3ccccc3n2Cc4cc(on4)-c5ccc(Cl)s5	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(=O)Nc3cc(Br)sc3C2=O	7248
+FC1(F)C(N(c2c(nc(nc2)Nc3ccc(cc3)C(NC4CCNCC4)=O)N(C1)C5CCC5)C)=O	2
+FC(F)(F)c1c(cccc1Cl)CN(CC(C)C)C2CCN(CC2)C(=O)OC(C)(C)C	131
+CC(C)(C)OC(=O)N1CCC(CC1)N(Cc2ccc(cc2Cl)S(=O)(=O)C)CC(C)C	48
+CC(C)(C)OC(=O)N1CCC(CC1)N(Cc2c(Cl)nc(Cl)s2)CC(C)C	2075
+c1cc(ccc1)OCC(O)CNC2CCNCC2	2
+CC(C)(C)OC(=O)N1CCC(CC1)NCCc2c(cccc2)N	0
+CC(C)(C)OC(=O)N1CCC(CC1)N(C(=O)C)Cc2c3c(nc(n3CC)-c4c(N)non4)cnc2	58
+CC(C)(C)OC(=O)N1CCC(CC1)N(S(=O)(=O)C)Cc2cc(ccc2F)-c3ccnc(n3)Cl	112
+CC(C)(C)OC(N1CCC(CC1)N(Cc2ccc(cc2)[N+]([O-])=O)C(c3ccc(cc3)CCCCC)=O)=O	115
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc3c(ncnc23)Cl	7249
+CC(C)(C)OC(N1CCC(CC1)n2cnc3cnccc23)=O	919
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ncc(-c3cc4ccccc4cc3)cc2[N+](=O)[O-]	89
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2cc(-c3cc4ccccc4n3Cc5ccccc5)nn6c(nnc26)C	190
+C1CNCCC1Nc2cc(-c3cc4ccccc4n3Cc5ccccc5)nn6c(nnc26)C	2
+C1CC(CCN1)Nc2ccc(c(N)n2)C(=O)c3c(F)cccc3	2
+C1CNCCC1Nc2ccc(cc2)F	2
+CC(C)(C)OC(N1CCC(CC1)N(c2ccc(cc2)SC)Cc3ccnc(-c4cc(OC)c(c(OC)c4)OC)c3)=O	2786
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(N)cncc2	13
+C1CNCCC1Nc2nc(NCCO)nc(n2)OC	2
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(N)cc(-c3ccc4c(c3)cccc4)cn2	13
+C1CC(CCN1)Nc2cc(c(cn2)Cl)-c3nc(ccc3)NCc4cc(F)ccc4	2
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(-c3nc(F)ccc3)c(cn2)Cl)=O	7250
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(c(cc(Cl)c2)C(OC)=O)C	20
+FC(F)(F)CCCc1c2c(cnc1)ccc(OC3CCN(CC3)C(=O)OC(C)(C)C)c2	20
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc3CCC(=O)Nc3c2	20
+CC(C)(C)OC(=O)N1CCC(CC1)OS(=O)(=O)C	7
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(nc2-c4nonc4N)cccc3	7251
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(c3ccncc3cc2)[N+]([O-])=O	57
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ncc(cc2)[N+](=O)[O-]	91
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc3c(OC(C(=O)N3)C)cc2	419
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3c(cc(c2)CC(OC)=O)ccc(F)c3	20
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(c(c2)[N+](=O)[O-])OCC(OC)=O	419
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(Br)cc(cc2)F	419
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2sc3cc(ccc3n2)Br	3903
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(F)cc2F	20
+CC(C)(C)OC(N1CCC(CC1)Oc2ncc(c3ccccc23)[N+](=O)[O-])=O	91
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cccc3ccc(-c4n5ccc(cc5nc4)OCCOC)nc23	3785
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(ccc2Br)F	419
+CC(C)(C)OC(=O)N1CCC(CC1)OC(Nc2c(cc(F)cc2)Br)=O	7252
+CC(C)(C)OC(=O)N1CCC(CC1)OCC2CCN(Cc3ccccc3)C2	967
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc3CC4(CCN(CC4)Cc5ccccc5)Cc3c2)=O	20
+CC(C)(C)OC(N1CCC(CC1)Oc2cc(OCC)cc(c2F)C(Nc3ccc(cc3)C#N)C(=O)OCC)=O	20
+CC(C)(C)OC(=O)N1CCC(CC1)OS(=O)(=O)c2ccc(cc2)C	36
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)[N+]([O-])=O	57
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)I	57
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)I	20
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc(cc2)N3C(C)=Nc4ccccc4C3=O)=O	20
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)-n3c(nc4cnccc34)-c5nonc5N	20
+CC(C)(C)OC(=O)N1CCC(CC1)Sc2ccc(cc2)O	4103
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(Br)cc3C(=O)N(Cc4ccc(cc4)OC)C=Cc3c2	57
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3cc(I)ccc3ncc2	260
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3c4c(n(S(=O)(=O)c5ccccc5)c3cnc2C#N)ncc(c4)Br	7253
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ncnc(Cl)c2	145
+c1ccccc1COc2c(Cl)cc(cc2)-c3cc(F)ccc3NC(=O)OC4CCNCC4	2
+CC(C)(C)OC(=O)N1CCC(CC1)OC(=O)Nc2ccc(F)cc2-c3ccc(OCc4ccccc4)c(Cl)c3	11
+C1CN(CCC1OC2=CC(N(c3c(cc(C#N)cc3)F)C=C2)=O)C(=O)OC(C)C	4104
+CC(C)(C)OC(=O)N1CCC(CC1)OCC#N	143
+CC(C)(C)OC(=O)N1CCC(CC1)OCC(=O)N	83
+C1COCCN1C(=O)COC2CCNCC2	2
+C1CC(CCN1)OCC2CC2	2
+CC(C)(C)OC(=O)N1CCC(CC1)OCC2CCNC2	25
+CC(C)(C)OC(N1CCC(CC1)n2cnc(C=O)c2)=O	7254
+CC(C)(C)OC(=O)N1CCC(CC1)n2nc(-c3ccccc3)cc2	1647
+CC(C)(C)OC(N1CCC(CC1)Oc2cc(ncc2)O)=O	624
+C1CNCCC1Oc2ccc(F)cc2Br	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(c(cc(Cl)c2)C(NCc3c(O)cc(C)nc3C)=O)C	14
+C1CNCCC1Oc2c(F)cc(cc2F)C3=NNC(=O)CC3	2
+C1CC(CCN1)Oc2cc(Cl)cc(C(NCc3c(O)cc(C)nc3C)=O)c2C	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(C)c(C(O)=O)cc(c2)Cl	1
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(F)cc(cc2F)C3=NNC(=O)CC3	4105
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(F)ccc2C(=O)Nc3c(cccc3)C(Nc4ccc(Cl)cn4)=O	67
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(ccc(F)c2)C(O)=O	1
+C1CNCCC1Oc2c3c(cc(c2)CC(OC)=O)ccc(F)c3	2
+O=S(=O)(n1c2c(cc(cn2)Br)c3c(c(C#N)ncc13)OC4CCNCC4)c5ccccc5	2
+C1CNCCC1Oc2c3cc(C=C4C(=O)NC(S4)=N)ccc3ncc2	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3cc(C=C4C(=O)NC(S4)=N)ccc3ncc2	7255
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(C=O)cc(Br)c2	39
+C1CC(CCN1)Oc2cc(C)c(c(C)c2)-c3cc(ccc3)COc4cc5OCC(CC(OC)=O)c5cc4	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(Br)cc(c2)C#N	1308
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(C=NO)cc(c2)Br	135
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(Br)cc(CO)c2	49
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(cc(Br)c2)C(=O)O	1
+C1CNCCC1Oc2c(Br)ccc(c2)F	2
+C1CC(CCN1)Oc2cc3c(OC(C(=O)N3)C)cc2	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc3c(c2)c4n(c(COCC)nc4c(N)n3)CCC	445
+C1CC(CCN1)Oc2ccc(F)cc2F	2
+C1CNCCC1Oc2ccc(cc2)-n3c(nc4cnccc34)-c5nonc5N	2
+c1cc(ccc1-n2cc(C(N3CCCC3)=O)cn2)OC4CCNCC4	2
+C1CNCCC1Oc2ccc(cc2)-n3ncc(C(OCC)=O)c3	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)-n3ncc(C(OCC)=O)c3	568
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc(cc2)N3CCN(C(=O)OCc4ccccc4)CC3=O)=O	883
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc(cc2)NCc3cc4c(cc3)ccc(C#N)c4)=O	208
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc(cc2)NC(=O)C3CN(C3)C(OCc4ccccc4)=O)=O	33
+c1cc(ccc1NC(=O)C2CN(C2)c3cnccc3)OC4CCNCC4	2
+C1CNCCC1Oc2ccc(cc2)S(=O)(=O)N(C3CCC3)c4cccc(F)c4	2
+c1cc(ccc1[N+]([O-])=O)OC2CCNCC2	2
+C1CC(CCN1)Oc2ccc3CCC(=O)Nc3c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc3c(cc2)[n+](c(c4nc(COCC)n(c34)CCC)N)[O-]	574
+C1CC(CCN1)Oc2ccc3c(c4n(c(COCC)nc4c(N)n3)CCC)c2	2
+C1CC(CCN1)Oc2cccc3ccc(-c4n5ccc(cc5nc4)OCCOC)nc23	2
+C1CNCCC1Oc2ccc(cn2)[N+](=O)[O-]	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(N)ncn2	266
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc(ncn2)N3CCc4nc(ccc34)Cl	7256
+C1CC(CCN1)Oc2sc3cc(ccc3n2)Br	2
+CC(C)(C)OC(=O)N1CCC(CC1)S(=O)(=O)Nc2ccc3c(c2)CCN(C3)C(=O)COc4cnccc4	80
+C1CC(CCN1)S(=O)(=O)Nc2ccc3c(c2)CCN(C3)C(=O)COc4cnccc4	2
+C1CC(CCN1)Sc2ccc(cc2)OCc3cccc(F)c3	2
+C1CN(CCN1C)c2cc(nc(SC3CCNCC3)n2)Nc4ncc(C#N)s4	2
+C1CC(CCN1)Sc2ncnc(Cl)c2C	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc3ccc(-c4c[nH]c5c4ccc(c5)F)cc3[nH]2	741
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(cccc2)COc3c(F)cc(cc3F)F	885
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccccc2N(S(=O)(=O)C)C	418
+c1ccccc1COC(=O)Nc2ccc(C3CCNCC3)c(OC)c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3ccc(cc3n(c2CC)-c4ccccc4)F	2787
+CC(C)(C)OC(N1CCC(CC1)c2ccccc2CO)=O	49
+C1CC(CCN1)c2ncnc3c2C(C)CC3	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3ccc(OCCO)cc3ncn2	724
+C1CC(CCN1)c2c3c(c(C(N)=O)cc(-c4c(cc(F)cc4)F)c3)[nH]c2	2
+C1CNCCC1c2c3c([nH]c2)c(C(N)=O)nc(c3)-c4ccccc4	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3ccc(cc3ncn2)OCCOS(=O)(=O)C	7
+C1CNCCC1c2c3c(cc(cc3)F)n(c2CC)-c4ccccc4	2
+C1CNCCC1c2c[nH]c3c(cc(Br)cc23)C(N)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3cc(-c4c(cc(F)cc4)F)cc(c3[nH]c2)C(N)=O	11
+C1CC(CCN1)c2c3cc(ccc3[nH]c2)C#N	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(nc(n2)C3CC3)-c4cnc(N)c(OC(F)F)c4	7257
+CC(C)(C)OC(=O)N1CCC(CC1)c2cccc(NC(CC)=O)c2	26
+C1CNCCC1c2cc(nc(Nc3nccc(c3)C)c2)N(CCO)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(c(nc2)Cn3ccc4cc([N+](=O)[O-])cc(F)c34)F	7258
+FC(F)Oc1cc(-c2nc(nc(C3CCNCC3)c2)C4CC4)cnc1N	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc3c(cc2C(=C)C)OCC4=NNC(=O)C(N34)C	7259
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C(C)C)cc3OCC=4N(C(C)C(=O)NN=4)c3c2	1382
+O=S(=O)(c1ccc(c(c1)F)-c2ncc3c(cc(o3)C4CCNCC4)c2)C	2
+C1CC(CCN1)c2ccc(cc2)C(C)C(NC3CC3)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)C(C(=O)O)C	4
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)NC(Nc3ccccc3Oc4n(-c5ccccc5Cl)nc(c4)C)=O	124
+c1cc(ccc1C2CCNCC2)NC(Nc3ccccc3Oc4n(-c5ccccc5Cl)nc(c4)C)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(OC)cc(NC(OCc3ccccc3)=O)cc2	90
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cn2)Nc3nc(c(cn3)C)CCc4ccccc4CC(=O)N	83
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cn2)Nc3nc(CCc4ccccc4CC(=O)O)c(cn3)C	4
+C1CC(CCN1)c2ncc(Nc3nc(c(cn3)C)CCc4ccccc4CC(=O)N)cc2	2
+C1CC(CCN1)c2cccc(NC(=O)C(C)C)c2	2
+C1CC(CCN1)c2cc(NC(CC)=O)ccc2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(NS(=O)(=O)C)cccc2	80
+CC(C)(C)OC(=O)N1CCC(CC1)c2cn(c3ncc(NC(=O)c4cccc(C#N)c4)c(c23)C)C	660
+C1CC(CCN1)c2c3c(C)c(cnc3n(C)c2)NC(=O)c4cccc(C#N)c4	2
+C1CNCCC1c2cnc(C(OC)=O)cn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cnc(cc2)COc3ccc(cc3)S(=O)(=O)C	885
+C1CC(CCN1)c2ccc(nc2)COc3ccc(cc3)S(=O)(=O)C	2
+C1CC(CCN1)c2sc(c(-c3c(c(NS(=O)(=O)c4cocc4)ccc3)F)n2)-c5ccnc(N)n5	2
+c1ccccc1NC(=O)c2ccc(cc2)-c3nc(ccc3C(N)=O)C4CCNCC4	2
+C1CNCCC1c2n(c(c(-c3ccc(cc3)OC)n2)-c4ccc(cc4)OC)CC(=O)OC	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(cn2CCN3CCC3)-c4cc(c(cc4)F)C	1234
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(Br)cn2CCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(Nc3ncc(cc3Sc4ccccc4Cl)Oc5ccc(cc5)C=O)sn2	146
+c1cc(ccc1C=O)Oc2cc(c(nc2)Nc3nc(C4CCNCC4)ns3)Sc5ccccc5Cl	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(-c3ccc(cc3)C(Nc4ccccc4)=O)c(C(N)=O)cc2	67
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(c(C(N)=O)cc2)-c3ccc(cc3)C(O)=O	1
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(-c3cnc(N)c(c3)OC(F)F)nc(Cl)n2	2788
+C1CC(CCN1c2ncc(cn2)CC)c3nc(no3)COc4ccc(cc4)S(=O)(=O)C	4106
+C1CC(CCN1)c2nc3cc(ccc3[nH]2)-c4c[nH]c5c4ccc(c5)F	2
+C1CN(CCC1c2nc3ccc(c4OCC(c5ncccc5)n2c34)-c6c(noc6C)C)C(=O)C	4107
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cn2)Nc3nc(CCc4ccccc4CC(OC)=O)c(cn3)C	801
+C1CNCCC1c2oc(-c3cc(-c4cc(OC)ccc4)cnc3N)nn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc(COCc3c(N)ccc(Cl)c3)nn2	7260
+c1cc(ccc1)Cc2[nH]c(C3CCNCC3)nn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nnc(-c3cc(-c4cc(OC)ccc4)cnc3N)o2	89
+C1CC(CCN1)c2oc(C)nn2	2
+CC(C)(C)OC(N1CCC(CC1)c2oc3c(cc(cc3n2)-c4ccc(cc4F)S(=O)(=O)C)F)=O	492
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc3c(cnc(-c4ccc(cc4F)S(=O)(=O)C)c3)o2	140
+C1CNCCC1c2onc(Cc3cccnc3)n2	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(-c3c(c(NS(=O)(=O)c4cocc4)ccc3)F)c(-c5ccnc(N)n5)s2	911
+CC(C)(C)OC(=O)N1CCC(CC1)c2sc(c(n2)-c3cccc(c3F)N)-c4nc(ncc4)Cl	2087
+CC(C)(C)OC(=O)N1CCC(CC1)c2sc(-c3nc(ncc3)Cl)c(n2)-c4c(c(NS(=O)(=O)c5cocc5)ccc4)F	4108
+C1CC(CCN1)n2c(c(cn2)-c3cnc(N)c(-c4oc5c(n4)cccc5)c3)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c(C)c(cn2)-c3cnc(N)c(-c4oc5c(n4)cccc5)c3	4109
+C1CC(CCN1)n2nnc3c(N4CCOCC4)nc(nc23)-c5cc(ccc5)O	2
+C1CNCCC1n2nnc3c(N4CCOCC4)nc(-n5c6cccc(c6nc5C(F)F)OC)nc23	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3nc(-c4ccc(cc4)NC(=O)NCCN(C)C)nc(c3nn2)N5CCOCC5	675
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(cn2)c(nc(-c4ccc(cc4)N)n3)N5CC6CCC(C5)O6	0
+c1ccccc1Oc2c3cnn(c3ncn2)C4CCN(CC4)C(OC(C)C)=O	4104
+C1CC(CCN1)n2c3c(cccc3)nc2-c4nonc4N	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3ccc(cc3cn2)OCC(OCC)=O	52
+c1cc(ccc1-c2nc(c3nnn(c3n2)C4CCNCC4)N5CCOCC5)NC(=O)NCCN(C)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(cn2)c(N4CC5CCC(C4)O5)nc(-c6ccc(cc6)[N+](=O)[O-])n3	345
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(c(N4CCOCC4)nc(-c5cc(ccc5)O)n3)nn2	345
+C1CC(CCN1)n2ncc3c(Oc4cccnc4C)ncnc23	2
+C1CNCCC1n2cc(-c3ccc4c(CCC(C)N4C(C5CC5)=O)c3OC6CCC6)cn2	2
+c1cc(ccn1)-c2c(-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F)nn(C5CCNCC5)c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc(-c3cnc4[nH]cc(c4c3)I)c2	1361
+C1CC(CCN1)n2ccc(-c3ccccc3)n2	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc(c2)-c3cnc4c(c3)c(cn4S(=O)(=O)c5ccc(cc5)C)I	276
+C1CNCCC1n2ncc(c2)-c3nc(OC(C4CNC(=O)C4)C)c5c(nn(c5)C)c3	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3ncnc(Oc4cccnc4C)c3cn2	7261
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(cn2)c(Oc4ccccc4)ncn3	7262
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(=O)OC	282
+CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(Nc3c(cccc3)N)=O	33
+CC(C)(C)OC(=O)N1C(CC(Oc2c3c(c(-c4ccccc4)oc3ncn2)-c5ccc(cc5)OC)CC1)CCC(OC)=O	2741
+CC(C)(C)OC(N1CCCC2(CO2)CC1)=O	2727
+C1NCCCC(NCCCCO)C1	2
+C(OC(=O)Nc1ccccc1Br)C2CNCC2	2
+CC(C)(C)OC(=O)N1CCC(=O)N(CC1)CCCC=O	571
+C(CCCN1CCNCCC1=O)N(CCC)C2CCc3ccc(OC)cc3C2	2
+c1cc(ccc1CN(C2CNCC2)CC(=O)NCC)Cl	2
+C1CC(CCN1C2(CN(C(OCCF)=O)CC2)C)N3c4ccccc4NC3=O	7263
+CC(C)(C)OC(N1CCC(C(C1)F)N)=O	18
+CC(C)(C)OC(=O)N1CCC(CC1C(O)=O)NC(=O)Nc2ccc(cc2)C#N	4
+CC(C)(C)OC(N1CCC(N(C)C(=O)c2ccc(cc2)Br)C(c3ccc(c(Cl)c3)Cl)C1)=O	497
+c1ccccc1C(=O)NC2C(OC)CNCC2	2
+O=S(=O)(NC1CCN(C#N)C1)c2cc([N+](=O)[O-])ccc2Br	7264
+CC(C)(C)OC(N1CCC(C(N)C1)O)=O	18
+CC(C)(C)OC(N1CC(CN=[N+]=[N-])C(O)CC1)=O	254
+CC(C)(C)OC(N1CCC(O)C(C1)COc2nnc(CCCC)c(c2)-c3ccc(cc3)OC4CCCCC4)=O	1262
+CC(C)(C)OC(=O)N1CCC(Oc2c3c(cccc3cc(C=4NNC(=O)N=4)n2)Cl)C1	7265
+CC(C)(C)OC(=O)N1CCC(Oc2c3c(Cl)cccc3cc(C(=N)NN)n2)C1	7266
+c1cc(ccc1OC2CCNC2)F	2
+CC(C)(C)OC(=O)N1CC=C(CC1)c2cc(nc(Nc3cc(ccn3)C)c2)N(CCO)C	346
+c1cc(ccc1Oc2ccccc2)C3=CCNCC3	366
+C1=C(c2cccc(c2F)F)CCNC1	366
+CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)C(N)=S	199
+CC(C)(C)OC(=O)N1CCC2(CC(C2)C(N)=O)CC1	83
+C1CNCCC12CCN(C)C2=O	2
+c1cnn(n1)-c2c(cccc2)CN3C(=O)C4(CCNCC4)CCC3	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CC2C(O)=O	3
+c1cc(ccc1C)S(=O)(=O)n2cc(CN3C(C4(CCNCC4)CCC3)=O)c5ccccc25	2
+CC(C)(C)OC(N1CCC2(CCC(CC2)=O)CC1)=O	1678
+CC(C)(C)OC(=O)N1CCC2(CC1)CN(c3cc(F)c(N)cc3)C(C2)=O	0
+CC(C)(C)OC(=O)N1CCC2(CC(C2)C(O)=O)CC1	270
+CC(C)(C)OC(=O)N1CCC2(CC1)CC2C(N)=O	2789
+CC(C)(C)OC(N1CCC2(CC1)c3c(C(C(N(C)C)=O)=CC2)cccc3)=O	4110
+CC(C)(C)OC(=O)N1CCC2(CC1)c3c(cccc3)C(=NC(C)c4ccccc4)CC2	1529
+C1CC2(CCN1)N(C(CCC2)=O)Cc3cccc4n(S(=O)(=O)c5ccc(cc5)C)ccc34	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CCC(=O)c3c2cccc3	7267
+c1cc(ccc1C(=O)N2CC3(CCNCC3)CC2)-c4nc5cc(C#N)cc(c5o4)C(C)C	2
+C1CC2(CCN1)CCN(C2)c3ccc(S(=O)(=O)C)c(C)n3	2
+C1C2(CN1c3nc4ncccc4c(Nc5cc(n[nH]5)C)n3)CCNCC2	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CC(N(C2)c3ccc(-n4nnnc4)c(c3)F)=O	797
+CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)N(C2)c3ccc([N+](=O)[O-])c(c3)F	654
+C1CNCCC12CNC2=O	2
+c1ccccc1CC2C(N(Cc3ccccc3)C4(CCNCC4)N2)=O	2
+CC1(C)OB(OC1(C)C)c2cnn(CC3(CCN(CC3)C(OC(C)(C)C)=O)O)c2	2790
+CC(C)(C)OC(N1CCC(CC1)(O)CNCC)=O	122
+C1CC2(CCN1)c3c(cccc3)CS2=O	2
+C1CNCCC12OC(=O)Nc3ccccc23	2
+CC(C)(C)OC(=O)N1CCC2(CC1)S(Cc3c2cccc3)=O	441
+CC(C)(C)OC(=O)N1CCC2(CC2)CC1C(O)=O	4
+CC(C)(C)OC(=O)N1CCC2(CC1)CN(C2)c3nc4ncccc4c(Nc5cc(n[nH]5)C)n3	117
+CC(C)(C)OC(N1CCC2(CCCN2)C1)=O	25
+N1(C2CCCC1CNCC2)C(=O)CC	2
+CC(C)(C)OC(=O)N1CC2NC(CC1)CCC2	25
+CC(C)(C)OC(N1CCC=2C(C1)(COCC)Cc3cnn(c3C=2)-c4ccc(cc4)F)=O	481
+CC(C)(C)OC(=O)N1CCC(CCC1)=C	7268
+CC(C)(C)OC(=O)N1CCCc2n[nH]c(c2C1)C(=O)OCC	2783
+CC(C)(C)OC(=O)N1CC(C(OCCN)c2cc(Cl)cc(F)c2)CCC1	51
+CC(C)(C)OC(=O)N1CC(CCC1)(Cc2ccc(cc2)C)CO	44
+CC(C)(C)OC(N1CCCC(C(N(OC)C)=O)C1)=O	164
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCCCN3C(C4CN(CCC4)C(OC(C)(C)C)=O)=O)=O	348
+c1cc(ccc1)Cn2cc(-c3cc4nccnc4c(NCC5CCCNC5)n3)cn2	2
+CC(C)(C)OC(N1CCCC(C1)Cn2c(c(Br)c3cnc(NCc4ccc(F)c(F)c4)nc23)-c5c(cccc5Cl)Cl)=O	96
+CC(C)(C)OC(N1CC(CNCc2ncc3c(c2)OCCO3)CCC1)=O	294
+CC(C)(C)OC(=O)N1CC(CCC1)CNc2c3nccnc3cc(n2)Cl	1679
+C1CN(CCC1C(=O)Nc2ccc(c(Cl)c2)Cl)CC3CCCNC3	2
+CC(C)(C)OC(=O)N1CC(CNc2nc(cc3ncccc23)Cl)(F)CCC1	2791
+CC(C)(C)OC(=O)N1CC(COc2c3cccnc3cc(n2)Cl)(F)CCC1	7269
+CC(C)(C)OC(=O)N1CCCC(C1)Nc2nc(N3CCOCC3)nc(OC)c2-c4nc5cc(Br)ccc5s4	3784
+C1NCCCC1Oc2ccccc2OCC	2
+n1n(c(nn1)-c2cc(cnc2N)C3=CCNCCC3)-c4cccc(c4F)F	366
+c1cc(ccn1)-c2c3c([nH]n2)ccc(-c4nc(C5CCCNC5)n(C)n4)c3	2
+CC(C)(C)OC(=O)N1CCCC(c2nc(-c3cc4c(-c5ccncc5)n[nH]c4cc3)nn2C)C1	7270
+c1cc(ccc1Oc2c(cccc2)F)-c3nn(c4c3c(N)ncn4)C5CNCCC5	2
+CC(C)(C)OC(=O)N1CC(n2c(-c3ccc(cc3)Oc4ccccc4)c(c(n2)N)C(N)=O)CCC1	3832
+CC(C)(Cc1c[nH]c(C2(Cc3ccc(cc3)-c4ccc(F)cn4)CCCN2)n1)CC	2
+c1cc(ccc1)OCC(O)C2NCCC2	2
+CC(C)(C)OC(=O)N1C(CCC1)CNc2nc3n(ncc3I)cc2	1390
+CC(C)(C)OC(=O)N1CCCC1CNCCC	285
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)I)=O	450
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCc3ccccc3)=O	450
+CC(C)(C)OC(=O)N1C(CCC1)COc2ccc(cc2)Cc3ccccc3	450
+CC(C)(C)OC(=O)N1C(CCC1)COc2ccc(cc2)Oc3ccccc3	450
+CC(C)(C)OC(=O)N1CCCC1Cn2c3ccc(CO)cc3nc2NC(c4sc(C(F)F)cc4)=O	98
+FC(F)c1sc(C(=O)Nc2nc3c(ccc(CO)c3)n2CC4NCCC4)cc1	2
+CC(C)(C)OC(N1CCCCC1c2cc(-c3cccc(C#N)c3)on2)=O	7271
+CC(C)(C)OC(N1CCCCC1CC(=O)Nc2c(O)cccc2)=O	33
+CC(C)(C)OC(=O)N1C(CCNc2c(c(O)ccn2)NC(=O)Cc3cc(ccc3-n4cncn4)Cl)CCCC1	469
+CC(C)(C)OC(=O)N1CCCCC1CCNc2c(N)c(O)ccn2	13
+CC(C)(C)OC(=O)N1CCCN(c2nc(C(c3cccnc3N)=O)cc4c2cccc4)CC1	905
+c1cc(ccc1)-n2c3ccccc3c(C=O)c2N4CCNCCC4	2
+C1C2CCCN1c3ccc(nc3N2C(Nc4ccncn4)=O)N5CCCNCC5	2
+CC(C)(C)OC(=O)N1CCCN(c2ccc3c(N(C4CN3CCC4)C(=O)Nc5ccncn5)n2)CC1	2792
+CC(C)(C)OC(=O)N1CCCN(c2nc3c(C=C(c4nc5sccn5c4)C(O3)=O)cc2)CC1	7272
+CC(C)(C)OC(N1CCCN(c2nc3c(cccc3)n2CCOS(=O)(=O)C)CC1)=O	7
+CC(C)(C)OC(=O)N1CCCN(c2n(C)ncc2N)CC1	209
+c1(n(C)ncc1[N+]([O-])=O)N2CCCNCC2	2
+CC(C)(C)OC(=O)N1CCN(c2c(Cl)cc(Cl)cc2)CCC1	79
+CC(C)(C)OC(=O)N1CCCN(CC1)c2ccc(c(n2)O)C=O	43
+CC(C)(C)OC(=O)N1CCCN(c2n(ncc2[N+](=O)[O-])C)CC1	959
+CC(C)(C)OC(=O)N1CCCN(c2ccc3c(n2)NC4CCCN3C4)CC1	43
+CC(C)(C)OC(N1CCN(CCC1)c2ccc(Br)cn2)=O	323
+CC(C)(C)OC(=O)N1CCCN(c2c(C=O)c3c(n2-c4ccccc4)cccc3)CC1	2646
+CC(C)(C)OC(N1Cc2c([nH]nc2CCC1)C(N3CCC(CC3)c4c(cccc4)C(F)(F)F)=O)=O	3411
+c1(nc2c(cc1)cc(C#N)cc2)N3C(CNCC3)=O	255
+CC(C)(C)OC(=O)N1CCN(C(=O)OC)CC1CCOc2ccccc2	20
+c1ccccc1OCCC2NCCN(C(=O)OC)C2	2
+CC(C)(C)OC(N1CCN(C(=O)OCc2ccccc2)C(C(Nc3ccc(cc3)Cl)=O)C1)=O	33
+c1cc(ccc1F)-c2ccc3c(c(nc(N)n3)N4CCN(C(=O)COc5ccc(cc5)Cl)CC4C)n2	1324
+CC(C)(C)OC(=O)N1CCN(c2ccc(nc2)N)C(CC)C1	161
+CC(C)(C)OC(N1CC(CNc2nc(Cl)cc3c2nccn3)N(CC1)C)=O	1679
+CC(C)(C)OC(=O)NC(C(C)C)C(N1CC(N(CC1)C(c2ccc(cc2)Cl)=O)C(=O)OC)=O	4083
+CC(C)(C)OC(N1CCN(CC1)C(NO)=N)=O	2001
+CCN(CC)CCN(C(=O)N1CCNCC1)Cc2ccc(cc2)Cl	2
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2cc(COS(=O)(=O)C)ccc2F)=O	7
+CC(C)(C)OC(N1CCN(CC1)C(c2c(Oc3c(C)ccc(F)c3)n(-c4ccccc4)c5cnc(cc25)OC)=O)=O	7273
+C1CNCCN1C(=O)c2cccc3c(c[nH]c23)CN4CCOCC4	2
+C1CN(CCN1)C(=O)c2ccc(cc2)NC(NCC3CC3)=O	2
+C1CN(CCN1)C(CC)C#Cc2cccc(c2)Cl	2
+O=C(OC)C(C(=O)OC)(CNC(c1ccc(cc1)OCC#CC)=O)N2CCNCC2	2
+CC(C)(C)OC(N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNS(=O)(=O)c2ccc(cc2)OCC#CC)=O	71
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O	93
+C1CNCCN1C(=O)OCCCC	2
+CC(C)N1CCC(CC1)Oc2cc3c(cc2Cl)[nH]c(c3)C(N4CCNCC4)=O	2
+C1CN(CCN1)C(=O)c2ccc(cc2)-c3nc(-c4nc5cnccc5o4)c(N)nc3	2
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)C(=O)O	1
+c1cc(ccc1F)C(N2CCNCC2)C	2
+C1CNCCN1C(=O)c2ccc3n(c(c(C)n3)-c4ccccc4)c2	2
+C1CC1(C(=O)N2C(C(NC3(CC3)C#N)=O)CC(S(=O)(=O)c4ccccc4Cl)C2)N5CCNCC5	2
+C1CNCCN1C2CCC(CC2)(Cc3ccccc3C)OC	2
+C1CNCCN1CC#N	2
+c1cc(ccc1Oc2ccccc2)NC(=O)CN3CCNCC3	2
+C1CN(CCN1)CC(=O)c2ccc(cc2)F	2
+CC(C)(C)OC(=O)N1CCN(CC1)CC(O)c2ccc3C=Cc4c(cc(-c5cn(C)nc5)cn4)C(=O)c3c2	4111
+C1CN(CCN1)CC=2CC(C)(C)CCC=2c3ccc(cc3)Cl	2
+C1CN(CCN1)CC2=Nc3ccc(cc3C(N2c4ccccc4)=O)[N+](=O)[O-]	2
+CC(C)(C)OC(=O)N1CCN(CC1)CC2=C(c3ccc(cc3)Cl)CCC(C)(C)C2	7274
+CC(C)(C)OC(=O)N1CCN(CC1)CCn2ncc3cc(ccc23)Oc4ccc(cc4CN)F	107
+C1CC(CCC1)C(NC(c2c3c(ccc(F)c3)nc(-c4ccccc4)c2CN5CCNCC5)=O)C	2
+C1COCCN1C(=O)c2c(ccc(Cl)c2)CN3CCNCC3	2
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(C(O)=O)c3c(nc2-c4ccccc4)cccc3	1
+CC(C)(C)OC(N1CCN(CC1)Cc2c(cc(-c3cc(ncc3)C)cc2)F)=O	498
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c3OC(=Cc4c[nH]c5c4cccc5)C(=O)c3cc(Cl)c2O	2506
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2nc3c(ccc(F)c3)cc2C(C)Nc4ncnc(N)c4C#N	40
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(ccc3C(=O)C(=Cc4[nH]nc5c4cc(cc5)Cl)Oc23)O	4112
+CC(C)(C)OC(N1CCN(CC1)Cc2c(ccc3C(C(Oc23)=Cc4cn(c5ccccc45)S(=O)(=O)C)=O)O)=O	2506
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc3sc(-c4c(cccc4)N)nc3c2	0
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(Cl)cc2N3Cc4ncnn4CC3	79
+C1CN(CCN1)Cc2ccc(Cl)cc2N3Cc4ncnn4CC3	2
+c1cc(ccc1C2Nc3cccc4c3c(C2c5ccc(cc5)F)nnc4O)CN6CCNCC6	2
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCOc3ccc(cc3)C	20
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCO	35
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(cc(cc2)Cl)C(O)=O	1
+CN(C)c1cc(ccc1)C(=O)Nc2cccc(c2)-c3nc4c(ccc(CN5CCNCC5)n4)o3	2
+C1CNCCN1Cc2cccc3C(=O)C(Oc23)=Cc4n[nH]c5ncccc45	2
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cccc3C(=O)C(Oc23)=Cc4n[nH]c5ncccc45	4112
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc3c(nc(s3)-c4ccccc4NC(c5cccc(-c6[nH]nnn6)c5)=O)c2	67
+C1CN(CCN1)Cc2nc3c(ccc(F)c3)cc2C(C)Nc4ncnc(N)c4C#N	2
+CC(C)(C)OC(N1CCN(CC1)NC(=O)c2cc3ccccc3n2Cc4noc(c4)-c5ccc(Cl)s5)=O	2096
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2c(ccc(c2)[N+](=O)[O-])Oc3cc(ccc3Cl)Cl	415
+O=S(=O)(c1c(ccc(c1)[N+](=O)[O-])Oc2cc(ccc2Cl)Cl)N3CCNCC3	2
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2cc(ccc2Cl)C(N(C)C)=O	30
+C1CNCCN1S(=O)(=O)c2ccc(cc2)NC(=O)C=C	2
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)N	0
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(Cl)cc(cc2Cl)OCC=C(Cl)Cl	7275
+c1(cc(cc(Cl)c1N2CCNCC2)OCC=C(Cl)Cl)Cl	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(C(=O)OC)cc2I)=O	158
+C1CN(CCN1)c2ccc(C(NC3CC3)=O)cc2C	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(Cl)cc(cc2Cl)O	5
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)CN(C)C	48
+C1CNCCN1c2ccccc2CN(C)C	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)NS(=O)(=O)C	80
+CC(C)(C)OC(N1CCN(CC1)c2ccccc2N(S(=O)(=O)C)C)=O	418
+C1CNCCN1c2nc(N)nc3-c4ccccc4OCCc23	2
+C1CNCCN1c2c3c(ccc(CCC(OC)=O)n3)ccc2	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(-c3nc4c(n3C)cccc4)c2	1652
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(c(-n3c(C)ccc3C)c2)N	0
+CC(C)(C)OC(N1CCN(CC1)c2cccc(c2)C(Nc3ccccc3N)=O)=O	67
+CC(C)(C)OC(N1CCN(CC1)c2cc(NC(CNc3cc(c(cc3)F)F)=O)c(cc2)Cl)=O	1391
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(ccc(c2)O)NC(c3c4ccccc4ccc3)=O	16
+C1CN(CCC1)CCCOc2ccc(N3CCNCC3)cc2F	2
+c1nc(ncc1)NC2c3c(N(C(=O)C)C(C4CC4)C2C)ccc(N5CCNCC5)c3	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(C(=O)c3cccnc3N)c4c(cccc4)c2	905
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(c(cc2)NC(=O)c3ccc(o3)C#N)-n4c(C)ccc4C	1129
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(Cl)c(c2)N	1497
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc3c(c2)cc(C(OCC)=O)o3	4113
+CC(C)CC(C(NCC#N)=O)Cc1ccccc1-c2ccc(cc2)N3CCNCC3	2
+C1CN(CCN1)c2ccc(cc2)-c3ccc(Cl)c(N4C(C(NCC#N)=O)CC(C4)C)c3	2
+FC(F)(F)c1ccc(nc1)C#Cc2cnc(cc2)N3CCN(CC3)S(=O)(=O)C	7276
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(nc(-c3cc(OC(C4CC(=O)NC4)C)c5scnc5c3)cc2)OC	4114
+C1CNCCN1c2cc(ccc2)-c3c(F)cc(F)cc3	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(c2)-c3ccnc4[nH]c5ccccc5c34	2070
+C1CN(CCN1)c2cccc(c2)C#N	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(C(=O)O)ccc2	6
+C1CNCCN1c2cc(ccc2)CN3C(CCCc4ccccc34)=O	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(B(O)O)c2	281
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(-c3c(F)cc(F)cc3)c2	11
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)N	0
+CC(C)(C)OC(N1CCN(CC1)c2c(Cl)c(Cl)ncc2)=O	395
+c1cc(ccc1CCNc2nc(nc(n2)N(C)CCCc3ccc(cc3)Cl)N4CCNCC4)O	2
+c1cc(ccc1NC(=O)Nc2ccncc2)-c3nc(nc(N4CCNCC4)n3)N5CC6CCC(C5)O6	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc(N3CC4CCC(C3)O4)n2)-c5ccc(cc5)NC(=O)Nc6ccncc6	1680
+CC(C)(C)OC(=O)N1CCN(CC1)C=2C(=O)N(CCOc3c(cc(F)c(F)c3)F)c4ccccc4N=2	7277
+C1CNCCN1c2ccc(-c3cn4c(nc3)ncc4C5(CC5)c6cc7cccnc7cc6)cn2	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc3ccccc3c(C(=O)c4cccnc4F)n2	7278
+c1cc(ccc1Cl)-c2nccnc2N3CCNCC3	2
+C1CNCCN1c2nccnc2Cl	2
+CC(C)(C)OC(N1CCN(CC1)c2c3ncn(C)c3ncn2)=O	4115
+C1CN(CCN1)c2oc(C3CCC4N(C(=O)N3C4)OCc5ccccc5)nn2	2
+CC(C)(C)OC(=O)N1CCN(Cc2c(Cl)cc(cc2)N)CC1C	0
+CC(C)(C)OC(=O)N1CCN(c2ccc(nc2)NC3=CC(=CN(C3=O)C)Br)CC1C	523
+CC(C)(C)OC(=O)N1CCN(CC1CCOc2c(cccc2)F)C(OCc3ccccc3)=O	262
+CC(C)(C)OC(=O)N1C(CCn2cnc3c2cccc3)CN(C(=O)OCc4ccccc4)CC1	4088
+CC(C)(C)OC(N1C(CCn2c3ccccc3cn2)CN(CC1)C(=O)OCc4ccccc4)=O	7279
+CC(C)(C)OC(N1CCN(C(=O)OCc2ccccc2)CC1CCNc3ccc(cc3)C(=O)C)=O	2127
+N1(CCCNCC1)c2oc(nn2)C	2
+CC(C)C1COC(=O)N1c2nc(ncc2)NC(C)c3ccc(cc3)CN4CC(C)(C)NCC4	2
+CC(C)(C)OC(=O)N1CCNCC1CCO	25
+Clc1ccc(N2CCCNCC2)c(Cl)c1	2
+C1CC1N2C=C(C(OCC=C)=O)C(c3cc(F)c(c(c23)OC)N4CCNC(C4)C)=O	2
+CC(C)(C)OC(=O)N1CCN(c2c3ccc(nc3n(CC)c2)OCc4ccccn4)C(C1)=O	430
+N1CC(=O)N(c2c3ccc(nc3n(CC)c2)OCc4ncccc4)CC1	255
+O=S(=O)(N1CCN(CC1)c2cnc(cc2)N3CCNc4ccccc34)C5CC5	396
+C1CN(CCN1c2ccc(N3CCNc4ccccc34)nc2)S(=O)(=O)CC	396
+CC(C)(C)OC(=O)N1CCN(c2ccc(nc2)NC3=CC(=CN(C3=O)C)Br)C(CC)C1	523
+CN1C=C(C=C(C1=O)Nc2ccc(N3C(CC)CNCC3)cn2)Br	2
+N1CCN(CC1C)c2ccc(NC3=CC(=CN(C)C3=O)Br)nc2	2
+CC(C)(C)OC(=O)N1CCN(CC1C)c2cnc(cc2)N	161
+CC(C)(C)OC(=O)N1CCN(c2ncc(cc2)N3CCNCC3)c4ccccc14	62
+CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCN(CC3)S(=O)(=O)CC)cn2)c4ccccc14	112
+C1CC12NCCN(c3c4c(ncn3)[nH]cc4)C2	2
+c1cc(ccc1OCC2CN3C(CNCC3)CC2)F	2
+C1CC(Cn2c3c(cc(cc3)F)cc2)CN4CCNCC14	2
+CC(C)(C)OC(=O)N1CCN2C(CCC(Cn3c4ccc(cc4cc3)F)C2)C1	7280
+CC(C)(C)OC(N1CCN(C(OCc2ccccc2)=O)C(C1)c3ccccc3)=O	66
+C1CNCCN1	2
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(N2CCN(CC2)C(OC(C)(C)C)=O)=O	10
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)CCO[Si](C)(C)C(C)(C)C	48
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)CCN2CCN(CC2)C(=O)OC(C)(C)C	7281
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2[nH]c3cc(Cl)c(OC4CCN(CC4)C(C)C)cc3c2)=O	147
+CC(C)(C)OC(=O)N1CCN(CC1)CC=2CC(C)(C)CCC=2Br	7282
+CC(C)(C)OC(=O)N1CCN(CC1)C(C#Cc2cccc(c2)Cl)CC	7283
+CC(C)(C)OC(=O)N1CCN(CC1)C(OCCCC)=O	66
+CC(C)(C)OC(N1CCN(CC1)C(c2c(F)cccc2)C#N)=O	7284
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(Cl)cc2Br	48
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2C(=O)OC)Cl	48
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccnc(c2)Cl	264
+CC(C)(C)OC(N1CCN(CC1)c2n(-c3ccccc3Cl)c4c(N(C)C(N(C)C4=O)=O)n2)=O	4116
+CC(C)(C)OC(N1CCN(CC1)c2nc(ccc2)N)=O	43
+FC(F)(F)C(N1CCN(CC1)C(=O)OC(C)(C)C)=O	520
+FC(F)(F)C(C)(C)NC(=O)c1cc(CN2CCN(CC2)C(=O)OC(C)(C)C)ccc1	171
+FC(F)(F)COc1ccc(cc1)N2CCN(CC2)C(OC(C)(C)C)=O	79
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3nc(ccc3ccc2)CCC(OC)=O	1563
+CC(C)(C)OC(N1CCN(CC1)c2cccc(C)c2[N+](=O)[O-])=O	908
+FC(F)(F)c1ccccc1C(=O)N2CCN(CC2)C(=O)OC(C)(C)C	115
+FC(F)(F)c1cc(C(=O)OC)ccc1CN2CCN(CC2)C(=O)OC(C)(C)C	131
+FC(F)(F)c1cccc(N2CCC(C2)O)c1CN3CCN(CC3)C(=O)OC(C)(C)C	48
+FC(F)(F)c1cc(Br)cc(c1)N2CCN(CC2)C(OC(C)(C)C)=O	34
+FC(F)(F)c1cc(ccc1C#N)-n2nnnc2CN3CCN(CC3)C(=O)OC(C)(C)C	894
+CC(C)(C)OC(N1CCN(CC1)C(=O)c2nc3ccc(Oc4ccc(C(F)(F)F)nc4)cc3cc2)=O	147
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)OC(C)(C)C	92
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(OC(C)(C)C)=O	361
+FC(F)(F)c1n2c(nn1)ccc(N3CCN(CC3)C(OC(C)(C)C)=O)n2	212
+CC(C)(C)OC(=O)N1CCN(CC1)CCc2ccc(C#N)c(c2)OC(F)F	61
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(c(-c3nc4N(S(=O)(=O)N(c4cc3)CC5CC5(F)F)C)c2)C)=O	889
+CC(C)(C)OC(N1CCN(CC1)c2cccnc2Cl)=O	2064
+CC(C)(C)OC(N1CCN(CC1)C(c2cc(nc3c2c(nn3C4CCCCO4)I)Cl)=O)=O	30
+CC(C)(C)OC(=O)N1CCN(CC1)C#N	739
+CC(C)(C)OC(=O)N1CCN(CC1)CC#N	1576
+CC(C)(C)OC(N1CCN(CC1)c2cc(c([N+]([O-])=O)c(N)c2)C)=O	34
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(N)c(F)c2	30
+CC(C)(C)OC(N1CCN(CC1)C(=O)C2Oc3ccc(Cl)cc3C2)=O	10
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)C=O	34
+CC(C)(C)OC(N1CCN(CC1)CCCc2ccc(cc2)Br)=O	123
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2cc(ccc2Cl)C(=O)O	92
+CC(C)(C)OC(N1CCN(CC1)S(=O)(=O)c2cccc3ccccc23)=O	92
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(F)c(F)c(S(=O)(=O)C3CC3)cc2	34
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2	92
+CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3CCC2)S(=O)(=O)c4ccccc4	1148
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(O)c2)=O	54
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncnc3nc[nH]c23	1310
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(cn2)C(=O)O)Cl)=O	43
+CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(CN3C(CCCc4ccccc34)=O)c2	79
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cc2)[N+](=O)[O-])=O	43
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc3c(n2)nc(-c4cccc(c4)[N+]([O-])=O)o3)=O	596
+CC(C)(C)OC(N1CCN(CC1)c2c(cccc2Cl)[N+](=O)[O-])=O	202
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3ccn(C)c3c2)C(C)N)=O	3372
+CC(C)(C)OC(=O)N1CCN(CC1)c2nccnc2Cl	317
+CC(C)(C)OC(N1CCN(CC1)c2nccc(c2)-c3c(F)c(F)ccc3)=O	43
+CC(C)(C)OC(N1CCN(CC1)c2ccc(C(OC)=O)cc2[N+](=O)[O-])=O	34
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(nc2OC)Cl	244
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(-n3c(C)ccc3C)c([N+](=O)[O-])cc2	202
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2cccc3c(C=O)c[nH]c23)=O	211
+CC(C)(C)OC(N1CCN(CC1)c2scc(n2)-c3c(c(F)ccc3)F)=O	641
+CC(C)(C)OC(N1CCN(CC1)c2cc(cc(C)n2)OCC)=O	323
+CC(C)(C)OC(=O)N1CCN(CC1)C2Cc3c(ccc(N4C(c5c(C4=O)cccc5)=O)c3)CC2	85
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3c(-c4ccccc4OCC3)nc(N)n2	54
+CC(C)(C)OC(N1CCN(CC1)c2nc3c(c4ncnn24)c(c(Br)cc3)F)=O	7285
+CC(C)(C)OC(N1CCN(CC1)C(CCc2c3C(CCCc3[nH]c2)=O)=O)=O	10
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2c(F)ccc(CO)c2	30
+CC(C)(C)OC(N1CCN(CC1)c2cncc(n2)Cl)=O	317
+CC(C)(C)OC(N1CCN(CC1)Cc2cc3c([nH]c(n3)-c4c(cn[nH]4)NC(c5c(cccc5F)F)=O)cc2)=O	48
+CC(C)(C)OC(N1CCN(CC1)c2nc3cc(F)cc(F)c3c(c2C)Cl)=O	286
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2C(OC)=O)F)=O	34
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(c(c2)C=O)O	79
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(F)cc(cc2)Br	48
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc3C(C=C(c4nc5cc(C)ccn5c4)Oc3cc2)=O	79
+CC(C)(C)OC(N1CCN(CC1)c2cnc3c(cc(Br)cc3)n2)=O	1322
+CC(C)(C)OC(N1CCN(CC1)c2c3ccncc3cc(n2)-c4cc(ncc4)Cl)=O	43
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cc3nc(-c4c(cccc4)[N+](=O)[O-])sc3nc2	619
+CC(C)(C)OC(N1CCN(CC1)C2(c3c(cc(Cl)cc3)NC2=O)Cc4cccc(Cl)c4)=O	7286
+CC(C)(C)OC(=O)N1CCN(CC1)CCn2ncc3cc(ccc23)Oc4c(cc(cc4)F)C#N	61
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(C(OC)=O)c3ccccc3nc2-c4ccccc4	619
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2c(n(-c3ccccc3)c4cnc(cc24)OC)Cl	211
+c1cc(ccc1)C(c2ccccc2)CC(=O)N3CCN(CC3)C(=O)OC(C)(C)C	10
+CC(C)(C)OC(N1CCN(CC1)CCCCc2cn(c3c(nc(CCCC)nc23)N)COCc4ccccc4)=O	61
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cnc(cc2-c3ccc(cc3)Cl)F	619
+CC(C)(C)OC(=O)N1CCN(CC1)c2nccnc2-c3ccc(cc3)Cl	317
+CC(C)(C)OC(=O)N1CCN(CC1)c2n3nc(c(-c4ccc(cc4)Cl)c3nc(C)c2)-c5c(cccc5)Cl	1575
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)C(=O)OCC)=O	34
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)C(C)=O)=O	171
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)F)C	2030
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)C(OC)=O)=O	30
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)C3Nc4cccc5c4c(C3c6ccc(cc6)F)nnc5O	48
+CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)c2ccc(cc2)F	676
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)NCC3CC3	30
+CC(C)(C)OC(N1CCN(CC1)c2nc(C(C)C)cc(Nc3ccc(cc3)C)n2)=O	117
+CC(C)(C)OC(N1CCN(CC1)C(=O)Oc2ccc(cc2)[N+](=O)[O-])=O	66
+CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)Nc2ccc(cc2)Oc3ccccc3	1228
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)[N+]([O-])=O	92
+CC(C)(C)OC(N1CCN(CC1)C(c2c(c(-c3ccccc3)n4c2cc(cc4)Br)Cc5c(C)c(F)ccc5)=O)=O	211
+CC(C)(C)OC(N1CCN(CC1)c2nnc(c(-c3ccccc3)c2)Cl)=O	212
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2cn3c(-c4ccccc4)c(nc3cc2)C)=O	211
+CC(C)(C)OC(N1CCN(CC1)C(C2CCCCN2C(OCc3ccccc3)=O)=O)=O	10
+CC(C)(C)OC(N1CCN(CC1)c2cc(OCc3ccccc3)ccc2[N+]([O-])=O)=O	34
+CC(C)(C)OC(N1CCN(CC1)c2cncc(OCc3ccccc3)c2)=O	244
+CC(C)(C)OC(=O)N1CCN(CC1)CC2=Nc3ccc(cc3C(=O)N2c4ccccc4)[N+](=O)[O-]	4077
+CC(C)(C)OC(N1CCN(CC1)C(=O)Nc2noc3c2cccc3)=O	437
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc3c(cc2)N(C(=O)C)C(C4CC4)C(C3Nc5ncccn5)C	79
+C1CNCCN1c2sc3cc(ccc3n2)C(OC)=O	7287
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(Cl)c2)=O	54
+CC(C)(C)OC(N1CCN(CC1)c2ccnc(Cl)n2)=O	54
+CC(C)(C)OC(N1CCN(CC1)Cc2cnc(F)cc2)=O	619
+CC(C)(C)OC(N1CCN(CC1)c2c3n(cc(n2)Br)cnn3)=O	2072
+CC(C)(C)OC(N1CCN(CC1)c2c3c(nc(cc3)C)ncn2)=O	778
+CC(C)(C)OC(N1CCN(CC1)Cc2cscn2)=O	2446
+CC(C)(C)OC(N1C(CN(c2c3c(ncn2)cc(Cl)c(Br)c3)CC1)C(=O)OC)=O	54
+CC(C)(C)OC(=O)N1C(C(OC)=O)CN(CC1)Cc2cc(ccc2)-c3ccnc(Cl)n3	48
+CC(C)(C)OC(N1C(CCCC)CN(CC1)C(=O)c2cccc3ccccc23)=O	30
+CC(C)(C)OC(=O)N1C(CN(CC1)C(=O)OCc2ccccc2)CCO	66
+CC(C)(C)OC(=O)N1CCOC(C1)CNc2c3c(cc(-c4cn(nc4)C)n2)nccn3	1675
+CC(C)(C)OC(=O)N1CCOC(C1)Cc2cc(CO)ccc2	41
+CC(C)(C)OC(=O)N1CCOC(Cc2cc(COC)ccc2)C1	76
+CC(C)(C)OC(=O)N1CCOC(C1)Cc2cc(C=O)ccc2	146
+CC(C)(C)OC(=O)N1CC(OCC1)COc2nc(-c3ccc(cc3)N4CCOCC4)cc5nccnc25	3821
+CC(C)(C)OC(=O)N1CC(C(c2ccc(Cl)c(c2)Cl)OCC1)CN	18
+CC(C)(C)OC(N1CCOCC(n2c3ncnc(c3c(n2)-c4ccc(cc4)Oc5ccccc5)N)C1)=O	918
+CC(C)(C)OC(=O)N1CCOCC1CO	21
+C1COCC(CO)N1C	352
+CC(C)(C)OC(=O)N1C(COCC1)COC(=O)N2CCN(CC2)c3ccc(cc3)F	2078
+Clc1cccc(c1)-c2onc(C3NCCOC3)c2	2
+CC(C)(C)OC(N1c2cc(C=O)ccc2OCC1)=O	146
+CC(C)(C)OC(N1C(CSCC1)CCN)=O	51
+N1(CCCC1=O)c2ccc(Oc3cc4CCNCCc4cc3)nc2	2
+c1(cc2CCNCCc2cc1)Oc3c(F)cc(I)cc3	2
+CC(C)(C)OC(N1CCc2c(CC1)cn(-c3ccc(cc3)NS(=O)(=O)C)n2)=O	1158
+CC(C)(C)OC(N1CCc2nn(-c3ccc(cc3)S(=O)(=O)C)cc2CC1)=O	1158
+CC(C)(C)OC(N1CCc2c(c(ccc2CC1)Cl)CCl)=O	438
+CC(C)(C)OC(=O)N1CCc2c3ccc(cc3n(c2C1)C)Br	144
+c1cnccc1N2CCC(CC2)COc3ccc4c(CNCC4)c3	2
+CC(C)(C)OC(=O)N1CCc2cc(OC)c(N)cc2CC1	0
+c1ccc(OCc2nccc(C)c2)c(-c3cc4c(cc3)CCNCC4)n1	2
+CC(C)(C)OC(=O)N1CCc2c(nc3ccnn3c2N4C(COC)CC4)CC1	76
+c1c(cc2n(C)c3CNCCc3c2c1)Br	2
+FC(F)(F)c1ccc(cn1)COC2=CC(=O)N(C=C2)c3ccc4c(c3)n(c5c4CCN(C5)C(=O)OC(C)(C)C)C	2027
+CC(C)(C)OC(=O)N1CCc2c(n(C)c3c2ccc(c3)N4CCN(CC4=O)CCc5ccccc5)C1	2653
+CC(C)(C)OC(=O)N1CCc2c(C1)n(c3c2ccc(N4C=CC(=CC4=O)c5ccc(cc5)Cl)c3)C	2793
+CC(C)(C)OC(N1CCc2cc3nc(oc3cc2CC1)C)=O	2794
+CC(C)(C)OC(=O)N1CCc2cc(c(cc2CC1)OC)NS(=O)(=O)c3ccc(cc3)-c4sc(cc4)Cl	1373
+CC(C)(C)OC(=O)N1CCc2cc(NS(=O)(=O)c3ccc(cc3)I)c(cc2CC1)OC	69
+CC(C)(C)OC(=O)N1CCc2c(cc(c(c2)[N+]([O-])=O)OC)CC1	77
+c1cc(cc2CCNc12)OCCCCN(CC=C)C	396
+CC(C)(C)OC(=O)N1CCc2cc(Oc3ccc(C(NC)=O)cc3OC)ccc2CC1	14
+c1c(c(ccc1C(NC)=O)Oc2cc3CCNCCc3cc2)OC	2
+c1cc(cc2CCNc12)SCCO	396
+c12c(c(F)c(Br)cc1CCN2)C(=O)O	396
+CC(C)(C)OC(=O)N1CCc2cc(Oc3c(cc(cc3)C(O)=O)OC)ccc2CC1	1
+CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Oc3ncc(-c4onc(n4)C)cc3	7288
+CC(C)(C)OC(N1CCc2c(CC1)c(Cc3cccnc3)c(cc2)Cl)=O	7289
+c1(-c2onc(C)n2)ccc(Oc3cc4CCNCCc4cc3)nc1	2
+CC(C)(C)OC(N1CCc2c3ccccc3n(c2CC1)CCOCC)=O	21
+C1CCCCN1C(=O)c2c3c(on2)CCNC3	2
+CC(C)(C)OC(N1CCn2c(c(cn2)I)C1)=O	1160
+CC(C)(C)OC(N1Cc2n(cc(-c3cc(ccc3)F)c2C(OCC)=O)CC1)=O	1866
+CC(C)(C)OC(=O)N1CCn2c(c(c(C(O)=O)c2C1)-c3cccc(c3)F)Br	6
+C1CNCc2c(c(-c3cc(F)ccc3)c(Br)n12)C(=O)N	2
+CC(C)(C)OC(=O)N1Cc2n(c(Br)c(c2C(n3cncc3)=O)-c4cccc(c4)F)CC1	7290
+O=S(=O)(C)c1cc2n3c(C(NCC3)C(C)C)nc2cc1COC(C)=O	2
+CC(C)(C)OC(=O)N1Cc2ncc(Cl)n2CC1	844
+CC(C)(C)OC(=O)N1CCn2c3c(nc2C1C(C)C)cc(CO)c(S(=O)(=O)C)c3	88
+CC(C)(C)OC(=O)N1CCn2c(nc3cc(COC(C)=O)c(S(=O)(=O)C)cc23)C1C(C)C	204
+CC(C)(C)OC(=O)N1C(Cc2c3c(cccc3)n(Cc4ccc(cc4)F)c2C1)C(=O)N	190
+N1Cc2n(nc(-c3cc(F)ccc3)c2C(=O)N)CC1	2
+CC(C)(C)OC(=O)N1Cc2c(ccc(C3C(Nc4ccc(C#N)cc34)=O)n2)C1	4117
+C1CCC1(c2c3CN(C(Nc4cc(ccc4)Cl)=O)CCc3[nH]n2)C	7291
+CC(C)(C)OC(N1Cc2c(c(-c3nnn[nH]3)c(s2)NC(C)=O)CC1)=O	7292
+CC(C)(C)OC(N1Cc2sc3ncnc(Cl)c3c2CC1)=O	779
+C[Si](C)(C)CCOCn1c2c(nc1I)CN(CC2)C(OC(C)(C)C)=O	1073
+C1c2c(CC1Nc3nc4c(CNCC4)cn3)cccc2	2
+c1nc2c(c(Nc3cc4c(nc3)cccc4)n1)CNC2	2
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(c2CC1)C)Br)=O	144
+CC(C)(C)OC(N1Cc2c(ccc(-c3ccc(cc3)-c4n(ccn4)C(=O)OCC(C)C)c2)OCC1)=O	11
+CC(C)(C)OC(=O)N1Cc2c(c(c(C#N)n2CC1)-c3cccc(c3)F)C(=O)O	6
+CC(C)(C)OC(N1Cc2c(C(=O)N)ccn2CC1)=O	745
+n1cnsc1-c2nnc3CNCCn23	2
+CC(C)(C)OC(=O)N1CCn2c(c(c(C(=O)N)c2C1)-c3cc(ccc3)F)Br	7293
+CC(C)(C)OC(=O)N1Cc2c(CC1)c3c(ccc(N4C=CC(=CC4=O)OCc5ccccc5)c3)n2C	1614
+CC(C)(C)OC(N1Cc2c(C1)c(N3C(COCC3)C)nc(n2)-c4ccc(cc4)NC(NC5CC5)=O)=O	261
+Clc1n2CCNCc2nc1	2
+CC(C)(C)OC(=O)N1Cc2c(CC1)c3c(O)ncnc3s2	7294
+CC(C)(C)OC(=O)N1N(C)C(c2c1cc(cc2)N)=O	0
+Clc1ccc(C#N)c(C2=CC(=O)N(C(C(Nc3cc4NN(C(=O)c4cc3)C)=O)C)C=C2)c1	7295
+CC(C)(C)OC(=O)N1N(C)C(=O)c2ccc(cc12)NC(C(N3C=CC(c4c(ccc(Cl)c4)C#N)=CC3=O)C)=O	33
+O=S1(=O)N(c2ccccc2)CCCCN1	7296
+CC(C)(C)OC(=O)N1c2cc([N+](=O)[O-])c3c(cccc3)c2C(COC)C1	21
+CC(C)(C)OC(N1c2c(C)c(ccc2CC1)N)=O	0
+c1cc(c(c2c1CCN2)C)[N+]([O-])=O	396
+c1cc2c(cc1Br)C=C(CCN2)C(=O)OC	396
+CC(C)(C)OC(=O)N1CCC(=Cc2cc(ccc12)-c3cc(c(OCC)cc3)F)C(=O)OC	750
+C1Oc2cc(ccc2NC1CC(OCC)=O)Br	396
+CC(C)(C)OC(=O)N1CC(CCl)c2c3ccccc3c(cc12)O	16
+CC(C)(C)OC(=O)N1c2ccc(cc2CC1)C(=O)Nc3cnc4c(cccc4)c3	487
+c1([N+]([O-])=O)ccc2C(CNc2c1)CCl	396
+CC(C)(C)OC(=O)N1c2c(cccc2CCC1)C=CC(OC)=O	7297
+c12C(CCl)CNc1cc(OC(C)=O)c3c2cccc3	396
+CC(C)(C)OC(N1c2c(C(CO)C1)c3c(cccc3)c([N+]([O-])=O)c2)=O	88
+CC(C)(C)OC(=O)N1c2c(cccc2CCC1)C=O	151
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cc(-c3c(C)cccc3N)ccc2)c(SC)s1	7298
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cccc(-c3c(C)cccc3CO)c2)c(SC)s1	7299
+CC(C)(C)OC(=O)N=C1NC(=O)N(CCC(F)CN=[N+]=[N-])C=C1	310
+CC(C)(C)OC(=O)N=C1NC(C)(c2cc(NC(c3ccn(C(F)F)n3)=O)ccc2F)Cn4c(C#N)c(Cl)nc14	187
+CC(C)(C)OC(=O)N=C1NC2(c3c(F)ccc(NC(=O)c4ccc(cn4)Cl)c3)C(CCS1)C2	187
+CC(C)(C)OC(NC1=NC2(c3c(ccc(c3)NC(c4ccc(Br)cn4)=O)CC(C)(C)C2)CO1)=O	7300
+Clc1cnc(cc1)C(Nc2ccc(c(C34C(CCSC(N)=N3)C4)c2)F)=O	7301
+CC(C)(C)OC(=O)N=C1NC2(C(CCS1)C2)c3c(ccc(N)c3)F	0
+CC(C)(C)OC(=O)N=C1NC2(CC(C)(C)Cc3ccc(cc23)N)CO1	3860
+CC(C)(C)OC(=O)NC(=N)c1c(cc(OCCON)cn1)O	670
+CC(C)(C)OC(=O)NC(=N)c1c(O)cc(cn1)OCCON2C(c3c(cccc3)C2=O)=O	1920
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cccc(-c3c(NC(NCCN)=O)cccc3C)c2)c(SC)s1	3817
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cc(-c3c(cccc3NC(CCC(=O)O)=O)C)ccc2)c(SC)s1	3
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cccc(-c3c(C)cccc3COCCC(=O)OCC)c2)c(SC)s1	7302
+CC(C)(C)OC(=O)NC(=N)c1cc(S(=O)(=O)c2cccc(-c3c(cccc3C)COCCC(O)=O)c2)c(SC)s1	3
+O=S(=O)(c1c(SC)sc(c1)C(=N)N)c2cccc(c2)-c3c(cccc3C)COCCC(O)=O	4118
+c1cc(ccc1)COC(COc2cc(C)c(c(c2)C)S(=O)(=O)OCC(C(C(N)CC(C)C)=O)(O)C)=O	7303
+CC(C)C(CC(O)c1nc(cs1)C(OC)=O)N(CCC)C(=O)C(N)C(C)C	84
+c1cc(ccc1CC(N)C(=O)N(C)C)OCC#CC	84
+CC(C)(C)OC(NC(CCCC)C=O)=O	378
+CC(C)(C)OC(NC(C1=Nc2c(c(Cl)ccc2)C(=O)N1C3CC3)C)=O	7304
+CC(C)(C)OC(=O)NC(C(=O)C)CCCNC(=O)OCc1ccccc1	7305
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=S)N	199
+NC(Cc1ccc(Br)nc1)C(N)=O	84
+CC(C)(C)OC(=O)NC(CC(C)C)C(N1C(C(O)=O)CCC1CC)=O	3
+CC(C)(C)OC(=O)NC(C(=O)N1C(CCC1)C#N)CCC(=O)O	3
+C1CC(CCN1C(=O)C(N)C)CCc2c(nc(C)nc2N)Cl	84
+CC(C)(C)OC(=O)NC(C(C)C(O)=O)C(N1CCCC1)=O	4
+C1CN(CCN1C(OCc2ccccc2)=O)C(=O)C(N)CC(C)C	84
+CC(C)(C)OC(=O)NC(C(NC(Cc1c[nH]c2c1cccc2)C(=O)NN)=O)CC(C)C	561
+CC(C)(C)OC(=O)NC(C(NC(C(C)C)C(=O)NC(C(C)C)C(=O)O)=O)COCC=C	4
+CC(C)(C)OC(NC(Cc1c(F)ccs1)C(NC2(C(C2)c3ccccc3)C(=O)N)=O)=O	83
+C1CCC(C1)NC(=O)C(CC#N)N	84
+CC(C)(C)OC(=O)NC(C(NC1C(Nc2c(cccc2C1)N3CCCC3=O)=O)=O)CC(C)C	2795
+CC(C)C(C(NCCS)=O)N	84
+C1CC12COc3c(ccc(Oc4ccc(cn4)NC(=O)C(N)CC)c23)C	84
+c1cc(ccc1Oc2cc3c(COC3)cc2)NC(=O)C(C)N	84
+n1cc(cnc1Oc2ccc(c3c2C4(CC4)CO3)C)NC(C(N)CC)=O	84
+c12c(CC(C1)C3NC(=O)C(N(Cc4ccccc4[N+]([O-])=O)C3=O)C(CC)CC)cccc2	4119
+c12c(CC(C1)C3NC(=O)C(N(Cc4ccccc4CO)C3=O)C(CC)CC)cccc2	4119
+CC(C)(C)OC(=O)NC1C(Nc2c(ccc(c2)F)OC1)=O	33
+CC(C)(C)OC(=O)NC(C(=O)O)COc1ccc(cc1N)F	0
+CC(C)(C)OC(NC(C(N(c1ccc(cc1)OC)C)=O)Cc2cc(Br)ccc2)=O	429
+CC(C)(C)OC(NC(C(=O)O)C1CCC(CC1)NC(=O)OCc2ccccc2)=O	4
+c1ccccc1COC(NCCCCC(C(OC)=O)N)=O	689
+CC(C)(C)OC(NC(C=O)Cc1ccc(cc1)Oc2ccc(cc2)Cl)=O	59
+CC(C)(C)OC(=O)NC(Cc1ncc(cc1)CCCC(C)O)C(=O)OC	3475
+CC(C)(C)OC(NC(CCCC(C)N)C(=O)OCC)=O	499
+CC(C)(C)OC(NC(C(=O)O)CCc1nc2cc(Cl)c(cc2n1CCC)Cl)=O	210
+CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NC(CC(C)C)C(O)=O	2445
+CC(C)(C)OC(NC(C(C)C(OC)=O)c1[nH]c2ccc(cc2n1)C(C)(C)C)=O	442
+CC(C)(C)OC(=O)NC(C(c1onc(-c2c(Cl)cc(cc2)NS(=O)(=O)C)n1)C)C(=O)N3CCCC3	859
+CC(C)CC(N(C)C(=O)C(N)C(C)C)C(NC(C(Cc1ccccc1)=O)C)=O	84
+C1CN(CCC1Cc2ccc(Cl)c(Cl)c2)C(C(C(C)C)N)=O	84
+CC(C)C(C(N1CCCC1Cc2c3ccccc3oc2CCC(OCC)=O)=O)N	84
+CC(C)(C)OC(=O)NC(C(C)C)C(N1CC(N(CC1)C(=O)c2ccc(cc2)Cl)C(=O)O)=O	4
+CC(C)C(C(=O)OC1C(C#C)(C(OC1CO)n2c3c(cc2)c(N)ncn3)O)N	689
+C1C(CN1CC(NC)C(C)CC)O	352
+CC(C)(C)OC(NC(C)c1c(cc2c(F)cccc2n1)C(OCC)=O)=O	7306
+CC(C)(C)OC(NC(Cc1ccccc1)(C(CNC(=O)c2cc(nc(N(S(=O)(=O)C)C)c2)Cl)=O)C)=O	86
+CC(C)(C)OC(=O)NC(C(CN(C(OCc1ccccc1)=O)CC(C)C)O)Cc2ccccc2	66
+CC(C)(C)OC(NC(C(=O)N(c1ccc(cc1)OC)C)Cc2cccc(CO)c2)=O	41
+c1cc(ccc1CC(C(=O)N)N)S(=O)(=O)c2ccccc2	84
+CC(C)(C)OC(=O)NC(C(=O)N1C(CC)CN(CC1)C(Cc2ccc3ccccc3c2)C(NC)=O)Cc4ccc(cc4)Cl	9
+CC(C)(C)OC(=O)NC(C(N1CCN(CC1CC)C(Cc2cc3ccccc3cc2)C(=O)O)=O)Cc4ccc(cc4)Cl	4
+CC(C)(C)OC(NC(CC1CCCCC1)C(N)C)=O	18
+CC(C)(C)OC(=O)NC(C(NCCc1cc(c(OCC#Cc2ccc(cc2)Cl)cc1)OC)=O)C(C)C	7307
+CC(C)(C)OC(=O)NC(C(NCCc1cc(OC)c(O)cc1)=O)C(C)C	16
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+CC(C)(C)OC(NC(C(=O)NCCc1ccc(c(OC)c1)OCc2cccc3ccccc23)C(CC)C)=O	9
+CC(C)(C)OC(=O)NC(C(Nc1cccc(Cl)c1C(Nc2ccc(cc2)F)=O)=O)CC	33
+CC(C)(C)OC(=O)NC(C(=O)Nc1cnc(nc1)Oc2ccc(c3c2C4(CC4)CO3)C)CC	1681
+CC(C)(C)OC(=O)NC(C(=O)N(C)OC)CCCC	164
+c1cc(ccc1)CN2CC(NC(CCCC)C2=O)=O	7308
+CC(C)(C)OC(=O)NC(C(=O)N)Cc1cnc(cc1)Br	83
+CC(C)(C)OC(NC(C(Nc1ncccc1C(=O)c2ccc(cc2)F)=O)c3sccc3)=O	142
+C1CCCN1C(=O)C(N)C(C)O	84
+CC(C)(C)OC(NC(CO)C(C)C)=O	95
+CC(C)(C)OC(NC(CO)C(=O)NCCN)=O	248
+CC(C)(C)OC(NC(C(O)=O)Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC)=O	4
+CC(C)(C)OC(=O)NC(C(OCc1ccccc1)=O)CCC(=O)Nc2cc(c(cc2NCCC)Cl)Cl	291
+CC(C)(C)OC(NC(C(=O)OCc1ccccc1)CCc2nc3c([nH]2)cc(C)c(C)c3)=O	791
+CC(C)(C)OC(=O)NC(C(=O)OCc1ccccc1)CCc2n(c3cc(c(Cl)cc3n2)Cl)CCC	1264
+CC(C)(C)OC(NC(C(O)=O)Cc1c2c(cccc2)n(c1)CC(OCC)=O)=O	210
+CC(C)(C)OC(=O)NC(CCCNC(OCc1ccccc1)=O)C(NC(C)(C)c2ccccc2)=O	7309
+CC(C)(C)OC(=O)NC(C)C(c1ccc(cc1)CC)O	74
+CC(C)(C)OC(NC(C(=O)c1ccccc1)CC)=O	3852
+C(C)C(C)(C(=O)Nc1ccc(nc1)Oc2c3c(OCC(C3)C)ccc2)N	84
+CC(C)(C)OC(NC(C)(C)C=O)=O	378
+n1cc(cnc1Oc2cccc3OCC(C)(C)c23)NC(=O)C(C)(C)N	84
+Fc1cccc(F)c1COc2n3c(c(C(NCC(CCC)(C)N)=O)c(C)n3)ccc2	12
+CC(C)(C)OC(=O)NC(c1n(C2CC2)c3c(Br)c(ccc3n1)F)C	1264
+c1cc(ccc1OC)CC(NC(=O)C(C)N)C(NC(CC2=CCCC2)C(=O)C3(CO3)C)=O	84
+C(c1cccc(OC)c1)(O)C(C)N	12
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+CC(C)(C)OC(=O)NC(C)C(O)c1cccc(c1)OC	74
+CC(C)(C)OC(=O)NC(Cn1c2c(c(N)ncn2)c(-c3ccc(cc3F)Oc4ccccc4)n1)C	920
+CC(C)(C)OC(NC(C)c1c(c(c2c(ccc(c2)F)n1)-c3nnc(C)o3)-c4ncccc4)=O	877
+c1cc(-n2c3c(c(c2C(N)C)Cl)cccc3)cc(c1)F	12
+CC(C)(C)OC(=O)NC(c1cccc(c1)Oc2cc(Cl)ccc2N)C	0
+CC(C)(C)OC(=O)NC(C)c1c(c2c(cccc2)n1-c3cccc(F)c3)Cl	573
+FC(F)(F)c1[n+]([O-])cc(C(C)NC(=O)OC(C)(C)C)cc1	103
+C(C=1N=C2N(C(=O)C=1c3cc(F)ccc3)C(=CS2)C)(C)N	4120
+C1CC1N2C(c3c(N=C2C(CC)N)cccc3Cl)=O	12
+CC(C)(C)OC(=O)NC(C)C1=Nc2c(C(=O)N1c3cc(ccc3)C(N)=O)c(ccc2)Cl	1079
+c1cc(ccc1F)N2C(c3c(cccc3Cl)N=C2C(N)CC)=O	12
+CC(C)(C)OC(NC(C(CC(Cc1cccc(F)c1)C(O)=O)O)Cc2ccccc2)=O	1392
+CC(C)(C)OC(NC(Cc1ccccc1)C(CC(Cc2c(cc(cc2)OC)OC)C(=O)O)O)=O	1392
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccccc2)C3CC(Cc4ccc(cc4)OC)C(=O)O3	4121
+c1ccccc1COC(N2C(CC(CC2)C(CC)N)C(N)=O)=O	12
+CC(C)(C)OC(NC(C(O)CC(Cc1ccc(cc1)OC)C(O)=O)Cc2ccccc2)=O	1392
+CC(C)(C)OC(NC(CO)CCc1ccc(cc1)Br)=O	374
+CC(C)(C)OC(=O)NC(CC#CC)CNc1cccc(c1)Cl	291
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+CC(C)(C)OC(NC(C(=O)N(C)OC)CC#CC)=O	164
+CC(C)(C)OC(=O)N(C)C(CC#N)Cc1ccccc1	397
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+CC(C)(C)OC(=O)NC(C(O)C=C(CCOC1OCCCC1)CO)CC(C)C	4122
+CC(C)(C)OC(=O)NC(CC(C)C)C(C=C(C(O)=O)CCOC1CCCCO1)O	108
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+CC(C)(C)OC(=O)NC(CC)(CC)C(NC)=O	9
+C(C)C(CC)(N)C(NC)=O	84
+CC(C)(C)OC(NC(CN)CC)=O	18
+CC(C)(C)OC(=O)NC(CC)CN=[N+]=[N-]	133
+CC(C)(C)OC(NC(CO)CC=C(F)F)=O	95
+CC(C)(C)OC(=O)NC(c1nc(-c2n(ncc2N)C)ccc1)CC=C	209
+CC(C)(C)OC(=O)NC1c2nc(ccc2)-c3c(cnn3C)NC(C(C)C=CC1)=O	4123
+CC(C)(C)OC(NC(CCI)C(OC)=O)=O	1273
+CC(C)(C)OC(=O)NC(CCOc1ccc(cc1)CCCCNC(OCc2ccccc2)=O)C(=O)OC	8
+c1cc(ccc1CCC(N)(C)CCC(=O)O)OCCCCCCC	12
+CC(C)(C)OC(=O)NC(C(=O)N1C(CCC1)C#N)CCC(=O)OCC	143
+CC(C)(C)OC(=O)NC(CCC(OC)=O)COS(=O)(=O)c1ccc(cc1)C	36
+CC(C)(C)OC(=O)NC(CN=[N+]=[N-])CCC(OC)=O	254
+CC(C)(C)OC(NC(CCC=CC(OCC)=O)C(NC=1C(N(CC(=O)NCC(CC)CC)C=CC=1)=O)=O)=O	7310
+CC(C)(C)OC(NC(C(OC(C)(C)C)=O)CCCCNCC(CCl)O)=O	122
+CC(C)(C)OC(NC(CCCCNCc1ccccc1)C(OC(C)(C)C)=O)=O	42
+CC(C)(C)OC(=O)NC(CN)CCCCNC(=O)OC(C)(C)C	18
+CC(C)(C)OC(=O)NC(CCCCNC(=O)OC(C)(C)C)CN=[N+]=[N-]	133
+CC(C)(C)OC(NCCCCC(NC(OC(C)(C)C)=O)CO)=O	21
+CC(C)(C)OC(NC(C(=O)N)CCCCN)=O	102
+CC(C)(C)OC(=O)NC(C(=O)OC)CCCCNC(OCc1ccccc1)=O	325
+CC(C)(C)OC(NC(C(=O)N1C(C(=O)NCCCc2ccccc2)CCC1)CCCN)=O	102
+CC(C)(C)OC(=O)NC(CCCNC(=O)OCc1ccccc1)C(=O)N2C(C(NCCCc3ccccc3)=O)CCC2	2654
+CC(C)(C)OC(=O)NC(C(=O)N(OC)C)CCCNC(=O)OCc1ccccc1	164
+CC(C)(C)OC(=O)NC(C(Oc1c(cccc1)[N+]([O-])=O)=O)CCCNC(=O)OCc2ccccc2	7311
+c1(ncn(n1)-c2c(cc([N+]([O-])=O)cc2)OCCCC(C)N)C	12
+c1cc(ccc1S(=O)C2CN(C2)CCC(N)CO)Cl	12
+c1cc(ccc1Cl)C(CCNS(=O)(=O)C)N	12
+CC(C)(C)OC(=O)NC(CCOc1ccccc1)C(OC)=O	20
+CC(C)(C)OC(=O)NC(COC)CCI	343
+c1cccc2-c3ccccc3C(c12)COC(=O)NCC(CCOC)(CCOC)N	12
+CC(C)(C)OC(NC(c1cc(c(cc1)Cl)Cl)CCI)=O	572
+CC(C)(C)OC(NC(C(N)=O)CCOc1ccc(cc1)CCCCNC(OCc2ccccc2)=O)=O	327
+c1ccccc1OCCC(N)C(=O)OC	689
+CC(C)(C)OC(=O)NC1C(=O)N(c2ccc(cc2)OCc3ccccc3)CC1	7312
+CC(C)(C)OC(=O)NC(CCSC)C(Nc1ccc(cc1)OCc2ccccc2)=O	33
+CC(C)(C)OC(NC(CCc1ccc(cc1)Br)C(C)O)=O	684
+CC(C)(C)OC(NC(CCc1ccc(cc1)OCCCCCCC)(C=CC(=O)O)C)=O	108
+CC(C)(C)OC(NC(CCc1ccc(cc1)OCCCCc2ccccc2)(CO)CC)=O	59
+CC(C)(C)OC(=O)NC(CNCC(Cn1c2ccc(F)cc2c3c1ccc(F)c3)O)C	122
+CC(C)(C)OC(NC(CNC(=O)C1CC(CN1C(=O)OCc2ccccc2)O)CCCCNC(=O)OC(C)(C)C)=O	9
+CC(C)(C)OC(=O)NC(CNC(CNc1sc(cn1)CO)=O)C(=O)OC	4124
+OCC(CO)(N)CN1CCc2cc(ccc12)OCc3oc4c(c(Cl)cc(Cl)c4)c3	12
+CC(C)(C)OC(NC(C(C)(C)c1ccccc1)CN2C(=O)c3c(C2=O)cccc3)=O	332
+CC(C)(C)OC(NC(CO[Si](C)(C)C(C)(C)C)CC=C)=O	19
+C1C(CN1CCC(N)CO)Oc2ccc(cc2)Cl	12
+c1cc(ccc1Cl)SC2CN(C2)CCC(N)CO	12
+CC(C)(C)OC(=O)N1C(Cc2ccc(c(Cl)c2)O)COC1(C)C	2797
+CC(C)(C)OC(N1C(C)(C)OCC1Cc2ccc(cc2)O)=O	2797
+CC(C)(C)OC(=O)NC(COS(=O)(=O)C)c1cc([N+]([O-])=O)ccc1	7
+CC(C)(C)OC(NC(COC)CN)=O	18
+CC(C)C(COCc1ccccc1)N	12
+CC(C)(C)OC(=O)NC(COc1ccc(cc1C(C)(C)C(F)(F)F)Cl)C	262
+CC(C)(C)OC(NC(CC#N)C)=O	300
+CC(C)(C)OC(=O)NC(CSC)C	786
+CC(C)(C)OC(=O)NC(COc1ccc-2c(OCc3cnc(cc-23)NC(=O)C)c1F)CC(C)C	262
+CC(C)(C)OC(=O)NC(CC#N)Cc1ccccc1	677
+CC(C)(C)OC(=O)NC(COc1noc(c1)C(=O)O)C	1
+FC(F)(F)C(C)(C)c1cc(ccc1OCC(C)N)Cl	12
+CC(C)(C)OC(=O)NC(COc1cc(on1)C(=O)Nc2cc(ccc2O)O)C	768
+CC(C)(C)OC(NC(C(=O)OC)CSCc1ccc(cc1)-c2cc(ccc2)CN3c4cc(ccc4CCC3)C(F)(F)F)=O	7313
+C[Si](C)(C)CC(NC(O)=O)C(=O)NC1(CC1)C#N	7314
+CC(C)(C)OC(=O)NC(C(=O)NC1(C(O)=O)C(c2ccccc2)C1)Cc3c(F)ccs3	4
+CC(C)(C)OC(NC(Cc1c[nH]c2c1cccc2)C(=O)NC(C(=O)N(C(CCCC)C(N)=O)C)CC(C)C)=O	348
+c1c2c(c[nH]c2ccc1)CC(N)C(N)=O	84
+c1(C)cc(cc(C)c1)CC(C(NCC#N)=O)N	84
+CC(C)(C)OC(=O)NC(Cc1cc(F)cc(c1)F)c2c(ccc(n2)C#CC(C)(C)O)C=3C=CC=4N(C=3C)C(NN=4)=O	7315
+Fc1cc(cc(F)c1)CC(c2c(C3=C(N4C(C=C3)=NNC4=O)C)ccc(C#CC(C)(C)O)n2)N	12
+c1cc(ccc1)COc2cccc(CC(N)C(=O)OCC)c2	689
+CC(C)(C)OC(NC(C(CNCc1cc(ccc1)C(C)C)O)Cc2cccc(c2)CC=C)=O	122
+CC(C)(C)OC(NC(C(=O)OC)Cc1ncc(CCCc2ccc3cccnc3n2)cc1)=O	4078
+CC(C)(C)OC(=O)NC(c1[nH]nnn1)Cc2ccc(cc2)-c3cc(Cl)ccc3	2612
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)-c2cc(Cl)ccc2)C(=O)O	11
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)CF)c2nc3ccccc3[nH]2	442
+c1cc(ccc1CC(N)c2[nH]c3c(cccc3)n2)CF	12
+CC(C)(C)OC(NC(C(=O)N)Cc1ccc(cc1)I)=O	83
+c1cc(ccc1OC(C)C)CC(N)C(=O)N(C)C	84
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OC(C)C)C(=O)N(C)C	10
+CC(C)(C)OC(NC(Cc1ccc(cc1)OC)C(NC(CC=2CCCC=2)C(C3(CO3)C)=O)=O)=O	612
+CC(C)(C)OC(=O)NC(c1nc2ccccc2[nH]1)Cc3ccc(cc3)OC	442
+CC(C)(C)OC(=O)NC(C(=O)N(C)C)Cc1ccc(cc1)OCC#CC	10
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)c2[nH]nnn2	1104
+CC(C)(C)OC(NC(C(=O)N)Cc1ccc(cc1)OCC=C)=O	83
+CC(C)(C)OC(NC(C=O)Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC)=O	24
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccccc2)C(CC(Cc3ccc(cc3)OC)C(=O)O)O	1392
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)Oc2ccc(cc2)C(=O)NO)C(=O)N(C)C	514
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)Oc2ccc(cc2)C(O)=O)C(=O)N(C)C	500
+CC(C)(C)OC(NC(C(O)=O)Cc1ccc(cc1)S(=O)(=O)c2ccccc2)=O	4
+CC(C)(C)OC(=O)NC(Cc1cc(ccc1)OCCCOS(=O)(=O)C)C2OC(=O)N(Cc3cc(ccc3)C(C)C)C2	7
+CC(C)(C)OC(=O)NC(Cc1cc(OCc2ccccc2)ccc1)C(=O)OCC	22
+CC(C)(C)OC(=O)NC(Cc1ccccc1)(C)c2cnc(-c3cc(N(C)S(=O)(=O)C)nc(c3)NC(C)C4CC4C)o2	70
+CN(C)C(=O)C(Cc1ccccc1)N	84
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C=O	378
+CC(C)(C)CCNC(=O)C(CC(C(Cc1ccccc1)N)O)C	12
+CC(C)(C)OC(=O)NC(C(CNCC(C)C)O)Cc1ccccc1	122
+CC(C)(C)OC(=O)NC(Cc1ccccc1)CNc2ccccc2	291
+C1CN(CCC1(Cc2ccc(cc2)C#N)C(OCC3CCCCC3)=O)C(=O)C(Cc4sccc4)N	84
+CC(C)(C)OC(=O)NC(C(=O)OC)Cc1ccc(cn1)C#CCC(O)C	2379
+CC(C)(C)OC(=O)NC(Cc1ccc(CCCC(C)=O)cn1)C(=O)OC	86
+CC(C)(C)OC(=O)NC(Cc1c(F)ccs1)C(=O)NC2(C(OC)=O)CC2c3ccccc3	188
+c1ccccc1Oc2cc(c(-c3nn(CC(C)N)c4ncnc(N)c34)cc2)F	12
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)Cc1c(cc(cc1OC)C#N)OC	7316
+CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)Cc1ccccc1OCc2ccccc2	7317
+c1cc(ccc1-c2cc(Cl)ccc2)CC(c3[nH]nnn3)N	12
+CC(C)(C)OC(NC(c1c(c(C)ccc1)C)CC#Cc2cccc(C)c2)=O	121
+CC(C)(C)OC(=O)NC(CCOS(=O)(=O)C)c1ccc(c(Cl)c1)Cl	7
+CC(C)(C)OC(=O)NC(CO)c1cccc([N+]([O-])=O)c1	95
+CC(C)(C)OC(=O)NC(C)c1cc(Oc2cc(Cl)ccc2[N+](=O)[O-])ccc1	46
+c1cc(ccc1Cl)C(CC(OC)=O)N	12
+CC(C)(C)OC(=O)NC(c1cc(ccc1)O)C	5
+CC(C)(C)OC(=O)NC(C)c1cccc(Oc2c(NCCCC(=O)OCC)ccc(c2)Cl)c1	601
+CC(C)(C)OC(=O)NC(C)c1cccc(N)c1	0
+C(c1c(c(Cl)ccc1)Cl)(CCO)N	12
+CC(C)(C)OC(=O)NC(c1ccccc1)COc2ccc(N)c(N)c2	0
+C1CC1n2c(nc3c2c(Br)c(cc3)F)C(C)N	12
+C1COCCC1C(c2n(Cc3ccccc3)cc(-c4c(ccc(F)c4)F)n2)N	12
+c1cc(ccc1)CC(c2nccn2Cc3c(cccc3)OC)N	12
+c1cc(ccc1OC)CC(N)c2[nH]c3c(cccc3)n2	12
+c1(C(N)C)nc(C)no1	12
+FC(F)(F)c1ccc(cc1)-c2cc(nc(n2)C#CCC3(CCN(C)C3=O)N)C	84
+CC(C)(C)OC(NC1(C(=O)OC)CCCC1O[Si](C)(C)C(C)(C)C)=O	19
+C1CC1(S(=O)(=O)NC(=O)C2(CC2C=C)N)CCC	84
+CC(C)(C)OC(=O)NC1(C)CCCC1NC(=O)OC2CC(C)CCC2C(C)C	101
+CC(C)(C)OC(NC1(C(CCC1)NC(=O)c2c(-n3nccn3)cccc2)C)=O	14
+CC(C)(C)OC(=O)NC1(CC1CC)C(NS(=O)(=O)OC2(CC2)C)=O	344
+NC1(C(OC(C)=O)CCC1)CNc2ccc(C#N)c(Cl)c2C	12
+CC(C)(C)OC(=O)NC1(C(=O)OC)C(CCC1)O	118
+FC(F)(F)c1ccc(cc1)-c2ccnc(n2)C#CCC3(CCN(C)C3=O)N	84
+CC(C)(C)OC(NC1(CC(C1)=O)C2CC(=O)N(C2)Cc3ccccc3)=O	86
+CC(C)(C)OC(NC1(CC(C1)OCc2ccccc2)C3CNC(=O)C3)=O	1980
+CC(C)(C)OC(NC1(CC(F)(F)C1)c2onc(-c3ccc(c(NC(=O)c4n5ccccc5nc4)c3)C)n2)=O	859
+C1CC1(C(NCc2ccc(cc2)-n3c4c(c(Cl)c3-c5noc(n5)C)cccc4)=O)N	84
+c1cc(ccc1C2(CC2)N)-c3c(-c4ccccc4)nc-5n3-c6c(Nc7ccccc-57)nccc6	12
+CC(C)(C)[Si](C)(C)OCC1c2c3c(ncnc3sc2CC1)OC4CCC(CC4)(NC(OC(C)(C)C)=O)C	7318
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2ncnc3c2c4C(CCc4s3)CC#N)C	300
+CC(C)(C)OC(=O)N(C1(CCC(CC1)Oc2ncnc3c2c4C(CCc4s3)CC#N)C)C	397
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2ncnc3sc4CCC(CC(=O)N)c4c23)C	527
+C1CC(CCC1Oc2ncnc3sc4CCC(CC(=O)N)c4c23)(N)C	12
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2c3c4c(CCC4COS(=O)(=O)C)sc3ncn2)C	7
+CC(C)(C)OC(=O)NC1(CCC1)CCN2CC(C2)Oc3ccc(cc3)Cl	15
+C1N(CC1Oc2ccc(cc2)Cl)CCC3(CCC3)N	12
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(c4C(=O)N(C(S(=O)(=O)C)=Nc4o3)C)-c5ccccc5	7319
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3nc4ccc(C(=O)O)nn4c3-c5ccccc5	6
+c1ccccc1-c2n3nc(ccc3nc2-c4ccc(cc4)C5(CCC5)N)C(=O)OCC	12
+c1cc(ccc1)-c2c(nc3n2nc(Cl)c(C)c3C)-c4ccc(cc4)C5(CCC5)N	12
+c1cc(ccc1-c2nc3c(c(c(nn3c2-c4ccccc4)SC)C)C)C5(CCC5)N	12
+FC(F)(F)Cc1nnc2n1-c3c(nc(-c4ccc(cc4)C5(CCC5)NC(=O)OC(C)(C)C)c(-c6ccccc6)c3)OC2	7320
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(n4nc(ccc4n3)C(=O)OC)-c5ccccc5	272
+c1ccccc1-c2cn3c(nc2-c4ccc(cc4)C5(CCC5)N)c6c(ccc(F)c6)n3	12
+C1CCC1(c2ccc(cc2)-c3oc4NC(N(C)C(=O)c4c3-c5ccccc5)=NCCOC)N	12
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(n4c(c(C)c(C)c(Cl)n4)n3)-c5ccccc5	2413
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(n4nc(c(c(c4n3)C)C)SC)-c5ccccc5	2413
+CC(C)(C)OC(=O)NC1(C(CCC1)N)C	7321
+CC(C)(C)OC(=O)NC1(CCCCC1)CNc2c3ccccc3ncc2N	13
+CC(C)(C)OC(NC1(CN(CCC1)c2c3c(ncc2N)CCC3)C)=O	13
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2cccnc2N)C	161
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(NC(c4ccc(cc4)Cl)CC(=O)O)=O	4
+CC(C)(C)OC(NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(=O)NC(CCO)c4ccc(cc4)Cl)=O	21
+O=S(=O)(C)c1cnc(N2CCC(CC2)(C)N)cc1	12
+FC(F)(F)c1c(-c2nc(C(Nc3ncccc3N4CCC(CC4)(NC(=O)OC(C)(C)C)C)=O)c(nc2)N)nccc1OC	2683
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2cccnc2NC(=O)c3c(N)ncc(-c4ncccc4F)n3)C	2683
+C1CN(CCC1(C)N)c2c(NC(=O)c3c(N)ncc(-c4ncccc4F)n3)nccc2	12
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(C(=O)N)Cc2ccc(cc2)I)=O	207
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc(C)c(cc3)C#N)=O	143
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc(F)c(cc3)F)=O	143
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc4c(OC(N4CCCOC)=O)cc3)=O	143
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3ccc4c(N(C(CO4)=O)C)c3)=O	143
+CC(C)(C)OC(=O)NC1(COC(C)(C)OC1)CN2CCc3cc(ccc23)OCc4oc5c(c(Cl)cc(Cl)c5)c4	7322
+CC(C)(C)OC(=O)NC(CO)(CO)CN1c2c(cc(cc2)OCc3oc4c(c(Cl)cc(Cl)c4)c3)CC1	1192
+CC(C)(C)OC(NC1(COC(C)(C)OC1)c2oc3ccc(cc3c2)-c4nc(on4)-c5cc(Cl)c(cc5)OCCC)=O	1246
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)(OS(=O)(=O)C)C2)=O	7
+CC(C)(C)OC(=O)NC12CC3CC(C1)OC(C(C2)C3)=O	4125
+FC(F)C1(COCC(=N1)N)c2c(F)c(F)cc(c2)NC(=O)c3ncc(C#N)cc3C	4118
+c1cc(ccc1)C2N(C(=O)C(CCC2)N)CC3CC3	84
+CC(C)(C)OC(=O)NC1C(=O)N(Cc2ccc(cc2)-c3ccccc3CN)c4c(cccc4)CC1	107
+CC(C)(C)OC(=O)NC1C(N(c2ccc(cc2)O)CC1)=O	16
+CC(C)(C)OC(=O)NC1C(=O)N(Cc2ccc(cc2)-c3c(C#N)cccc3)c4c(cccc4)CC1	1126
+CC(C)(C)OC(=O)NC1COC(=O)C(CC)C(C(C)OC1=O)OC(=O)C(C)C	7323
+CC(C)(C)OC(=O)NC1COC(=O)C(C(OC(C(C)C)=O)C(OC1=O)C)CCOS(=O)(=O)C	7
+CC(C)(C)OC(NC1CN(CC(C2CC2)C1O)c3c4CCCc4ncc3[N+]([O-])=O)=O	264
+CC(C)(C)OC(=O)NC1CC(=C)CC1C(O)=O	4
+CC1(C)C(CC1N)C(NCCC(=O)OC)=O	12
+CC(C)(C)OC(=O)NC1C(CC(O)C1)C(OC)=O	167
+CC(C)(C)OC(NC1CC(Oc2cc(nc3cc(OC)ccc23)-c4ccccc4)CC1C(=O)O)=O	260
+O=S(=O)(c1cc(Nc2c3c(CNC3=O)cc(NC4C(N)CCC4)n2)ccc1)C	12
+O(C(=O)C1CCCCC1N)C	12
+N#CCC1CCCCC1N	12
+n1cccnc1-c2cc(ccc2)Nc3c(C#N)ncc(n3)NC4CCCCC4N	12
+CC(C)(C)OC(NC1CCCCC1OS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)NC1C(CCNC1)N2C(c3ccccc3C2=O)=O	62
+CC(C)(C)OC(=O)NC1CN(CCC1N2C(c3c(cccc3)C2=O)=O)C(=O)C	58
+CC(C)(C)OC(=O)N(C1C(F)CN(C1)C(OCc2ccccc2)=O)C	397
+C1CC(CCC1)C(N2CC(C(N(CC(=O)c3ccccc3C)c4cc(C)ccc24)=O)N)=O	84
+CC(C)(C)C(N1c2ccccc2N(C(C(N)C1)=O)CC(c3ccccc3C)=O)=O	84
+CC(C)(C)OC(=O)NC1C(=O)N(c2ccc(cc2)OCc3c(cccc3F)F)CC1	22
+CC(C)(C)OC(NC1C(=O)N(C)c2ccccc2N(C1)C(=O)c3ccccc3)=O	448
+FC(F)(F)c1cc(c(C(=O)NC2CCCC2NC(OC(C)(C)C)=O)c(SC)c1)OC	14
+CC(C)(C)OC(=O)NC1CCCC1Nc2ncc(nc2)C(F)(F)F	464
+CC(C)(C)OC(=O)NC1C(Nc2nc(c(c(c2)C#N)C(OC)=O)Nc3cc(ccc3)S(=O)(=O)C)CCC1	70
+CC(C)(C)OC(=O)NC1CCSC2N(C(C(=O)O)CCC2)C1=O	4
+CC(C)(C)OC(NC1CCN(Cc2ccc3ccnc(Cl)c3c2)C1=O)=O	806
+CC(C)(C)OC(NC1C(=O)N(c2c(ccc(F)c2)OC1)C)=O	239
+Cc1cc(cc(C)c1)Nc2cc(NC3CCCCC3N)nnc2C(N)=O	12
+CC(C)(C)OC(=O)NC1C(CCC1)Nc2cc3CNC(c3c(Nc4cccc(S(=O)(=O)C)c4)n2)=O	2798
+CC(C)(C)OC(NC1CNCCC1O)=O	62
+CC(C)(C)OC(=O)NC1C(CCN(C(=O)OCc2ccccc2)C1)N3C(=O)c4ccccc4C3=O	1579
+C(N1C(=O)C=Nc2ccc(OC)cc12)CN3CCC(N)C(C3)OC	12
+C(N1C(=O)C=Cc2ccc(C#N)cc12)CN3CCC(N)C(C3)OC	12
+CC(C)(C)OC(=O)NC1C(OC)CN(CC1)CCN2C(C=Cc3c2cc(cc3)C#N)=O	160
+c1c2CC(OC)C(N)c2ccc1	12
+CC(C)(C)OC(NC1C2C1CN(C2)C(c3ccc(cc3)NC(c4ccc(cc4)F)=O)=O)=O	30
+c1cc(ccc1NC(=O)C2CC(CC2N)=C)Cl	12
+CC(C)(C)OC(=O)NC1CC(CC1C(=O)O)=O	7324
+CC(C)(C)OC(=O)NC1CC(=C)CC1C(Nc2ccc(cc2)Cl)=O	33
+c1(cc2NC(=O)COc2cc1)N3CC(N)CC3=O	12
+C1CN(CCO1)C(=O)C2CC(C2(C)C)N	12
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(=O)C3(CC(CC3)NC(=O)OC(C)(C)C)C(C)C	10
+CC(C)(C)OC(=O)NC1CCC(C(N2Cc3cc(C(F)(F)F)ccc3CC2)=O)(C(C)C)C1	10
+CC(C)(C)OC(=O)NC1CN(CC(C)C1)c2ccncc2[N+](=O)[O-]	264
+CC(C)(C)OC(NC1CC(C1)CN=[N+]=[N-])=O	133
+CC(C)(C)OC(=O)NC1CC(c2c(cncc2)NC(=O)c3ccc(c(Br)n3)F)CC(C)C1OC(=O)C	510
+CC(C)(C)OC(=O)NC1CC(CC(c2c(cncc2)NC(=O)c3nc(c(F)cc3)-c4c(F)cc(cc4F)C=C)C1)C	443
+CC(C)(C)OC(=O)NC1CC(CC(c2c(cncc2)NC(=O)c3nc(-c4c(cc(cc4F)CC)F)c(F)cc3)C1)C	1393
+CC(C)(C)OC(=O)NC1CCC(C(=O)N)C1	327
+CC(C)(C)OC(=O)NC1CC(CC1)COS(=O)(=O)c2ccc(cc2)C	36
+CC(C)(C)OC(=O)NC1CC(CC1)n2c3c4ccn(c4ncc3nn2)S(=O)(=O)c5ccccc5	7325
+c1ccccc1-c2nc(C3CCC(N)C3)on2	12
+c1cc(ccc1)S(=O)(=O)n2ccc3c2ncc4nnn(C5CC(CC5)N)c34	12
+CC(C)(C)OC(=O)NC1C(CC(C1)O)C(=O)O	100
+CC(C)(C)OC(NC1CCCC(NC(c2ccc(nc2)-c3cccc(F)c3)=O)C1)=O	56
+C1CN(CCO1)CC2CC(N)CC2	12
+CC(C)(C)OC(=O)NC1CC(N(C1)C(=O)CN(C(=O)OC(C)(C)C)C)C(=O)O	4
+c1ccccc1COC(NC2C(=O)N(C3C(CC(N)CC3)NC(C)=O)CC2)=O	12
+CC(C)(C)OC(=O)NC1CC(CC1)Nc2c(N)cnc3n(S(=O)(=O)c4ccccc4)ccc23	13
+CC(C)(C)OC(NC1CC(OC)C(CC1)CO)=O	95
+FC(F)(c1ccccc1)c2nc(on2)C3CC(N)CC3	12
+CC(C)(C)OC(NC1CC(O)CC1)=O	100
+CC(C)(C)OC(=O)NC1CCC(C(Nc2cc(ccn2)-c3ccc(cc3OC)F)=O)C1	1153
+FC(F)(F)c1cc2c(cc1)CCN(C(C3(CC(CC3)N)C(C)C)=O)C2	12
+n1ccc(-c2ccc(cc2OC)F)cc1NC(=O)C3CC(N)CC3	12
+CC(C)(C)OC(NC1CCC(C)NCC1O)=O	62
+O=S(=O)(N1CC(C(CCC1C)N)O)c2ncccc2	12
+CC(C)(C)OC(=O)NC1COC(CCO)CC1	21
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2cc(Br)cc(C(OC)=O)c2C	231
+CC(C)(C)OC(=O)NC1CCC(CC1)C(N(OC)C)=O	164
+CC(C)(C)OC(N(C1CCC(CC1)C(=O)N(OC)C)C)=O	397
+C1CC(CCN1C(CCC2CCC(CC2)N)=O)Cc3c(ccc(OC)c3)Br	12
+C1CC(CCC1N)CCCCCBr	12
+C1CN(CCC1C(=O)c2cc(Cl)ccc2Cl)CCC3CCC(CC3)N	12
+C1CC(CCC1CNC(OCc2ccccc2)=O)N	12
+CC(C)(C)OC(NC1CCC(CC1)NC(c2cnc(-c3cccc(F)c3)cc2)=O)=O	56
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cc(-c3ccc(cc3)O)cc(c2C)C(OC)=O)CCC	11
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2c(c(C(=O)NCc3c(cc(C)nc3OC)CCC=C)ccc2)CC=C)CC	14
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cccc(C(O)=O)c2CC=C)CC	1
+CC(C)(C)OC(N(C1CCC(CC1)N2CCCC2)C)=O	397
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2ncnc3sc4CCC(CC(CC)O)c4c23	3670
+C1CC(CCC1N)Nc2c3ncc(n3ccn2)-c4ccnc(NCc5ccccc5)n4	12
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2c3ncc(-c4nc(ncc4)S(=O)C)n3ccn2	172
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2c3n(c(cn3)-c4nc(NCc5ccccc5)ncc4)ccn2	306
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2cc(cc(c2C)C(=O)OC)Br)CCC	713
+C1CC(CCC1Nc2ncc3c([nH]nc3-c4nc(NCc5ccc(cc5)Cl)ncc4)n2)N	12
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2ncc3c(n2)n[nH]c3-c4nc(ncc4)S(C)=O	172
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2nc3[nH]nc(-c4nc(ncc4)NCc5ccc(cc5)Cl)c3cn2	306
+C1CC(CCC1N)Nc2ncnc3c2c4C(CCc4s3)CC(O)CC	12
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2c3c(sc4c3C(CC=O)CC4)ncn2	24
+CC(C)(C)OC(=O)NC1CCC(CC1)OC(=O)n2cncc2	7326
+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(c2)Nc3nc4c(cn3)ncn4-c5ccc(cc5)OCC	4127
+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(Nc3nc(Nc4ccc(cc4)OCC)c(cn3)N)c2	193
+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(Nc3nc(c([N+](=O)[O-])cn3)Nc4ccc(cc4)OCC)c2	486
+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(c2)N	209
+CC(C)(C)OC(NC1CC(CCC)C(CC1)N2CCC(N)C2=O)=O	334
+c1ccccc1COC(=O)NC2C(N(CC2)C3CCC(CC3CCC)N)=O	12
+c1c2c(ccc1OC)c(cc(n2)NC3CCC(N)C3)C	12
+FC(F)n1ncc2NC(=O)C(CCCC(c3cc(ncc3)-c12)N)C	12
+CC(C)(C)OC(NC1CCCC1(O)C)=O	2799
+CC(C)(C)OC(=O)NC1CCCC1C=C	2800
+C1C(CN1CC2CCCCC2N)Oc3ccc(cc3)Cl	12
+c1cc(ccc1C)S(=O)(=O)n2cc(c3cc(Cl)cnc23)-c4ncc(c(n4)NCC5CCCCC5N)F	12
+CC(C)(C)OC(NC1C(CCCC1)C=O)=O	24
+CC(C)(C)OC(NC1C(CCCC1)COS(=O)(=O)C)=O	7
+c1ccc(nc1Nc2c(nnc(NC3CCCCC3N)c2)C(N)=O)OCC	12
+CC(C)(O)c1nc(Nc2c(nnc(c2)NC3CCCCC3N)C(=O)N)ccc1	12
+CC(C)(C)OC(NC1CCCN(c2n(c3C(=O)N(C)C(N(C)c3c2C(O)C)=O)Cc4ccccc4Cl)C1)=O	2129
+CCCC(=O)Nc1c2c([nH]c1)ncc(Cl)c2N3CC(CCC3)N	12
+CC(C)(C)OC(=O)NC1CN(c2c(cnc3CCCc23)NC(c4nc(sc4)-c5c(cccc5F)F)=O)CCC1	7327
+CC(C)(C)OC(=O)NC1CCCN(c2ccc(Nc3c(cnc4ccc(nc34)-c5cc(c(c(F)c5)O)Cl)C(C)=O)cn2)C1	1592
+c1cc(ccc1C(N2CCOCC2)=O)Nc3nc(N4CCCC(N)C4)ccc3C(=O)N	12
+c1cc(ccc1Nc2nc(N3CCCC(N)C3)ccc2C(=O)N)N(CC)CC	12
+CC(C)(C)OC(NC1C(C)N(C(=O)CNc2c3c(ncn2)cc(Cl)c(Cl)c3)CC1)=O	2801
+CC(C)(C)OC(=O)NC1CCN(C(=O)CN)C1C	334
+c1ccccc1-c2ccccc2NC(OC3CCN(CC3)CC(=O)N4CCC(N)C4)=O	12
+CC(C)OC(c1c(nccc1)N2CCC(N)C2)=O	12
+CC(C)(C)OC(N(C1CN(CC1)c2c(cccn2)C(OC(C)C)=O)CC)=O	2802
+CC(C)(C)OC(=O)N(C)C1CN(c2ncccc2C(OC(C)C)=O)CC1	397
+C1CC(CCN1C(=O)OCc2ccccc2)N3C(C(N)CC3)=O	84
+c1cc(ccc1)CC(F)(F)C(=O)N2CCC(CC2)N	12
+Clc1cc(cc(Cl)c1)COC(N2CCC(CC2)N)=O	12
+CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC(c3cc(c(C#N)cc3)F)=CC(=O)N2CC	7328
+C1CN(CCC1N)C2=NC(c3cc(c(C#N)cc3)F)=CC(=O)N2CC	12
+C1CC(CCO1)N2CCC(CC2)N	12
+C1CN(CCC1N)CC2(O)c3c(Cl)cnc4C=CC(=O)N(c34)C2	12
+C1CC(CCN1CCN2C(=O)C=Nc3ccc(cc23)OC)N	12
+C1CC(CCN1CCN2c3cc(OC)cnc3C=CC2=O)N	12
+C1CC(CCN1CCO)N	12
+CC(C)(C)OC(=O)NC1CCN(CC1)CCOc2nc3c(ccc(OC)c3)nc2	1534
+C1CN(CCC1N)CCOc2nc3c(ccc(OC)c3)nc2	12
+C1CN(CCC1N)CCSc2nc3cc(ccc3nc2)OC	12
+C1CC(CCN1Cc2cc(c(Cl)cc2)OCC)N	12
+C1CC(CCN1Cc2ccc(OC)c(OCC)c2)N	12
+C1CC(CCN1Cc2ccc3c(OCCO3)c2)N	12
+C1CN(CCC1)C(c2ccc(cc2)S(=O)(=O)N3CCC(CC3)N)=O	12
+O=S(=O)(N1CCC(CC1)N)c2ccc(cc2)N(C)C(C3CCOCC3)=O	12
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)N	0
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)N2CCC(CC2)N	12
+c1cc(ccc1Br)N2CCC(CC2)N	12
+C1CN(CCC1N)c2cc(c(F)cn2)-c3nc4ccccc4n3C	12
+C1CN(CCC1N)c2c3ccccc3c(nn2)-c4ccnn4C	12
+CC(C)(C)OC(=O)NC1CCN(CC1)c2nnc(-c3ccnn3C)c4ccccc24	7329
+CC(C)(C)OC(=O)NC1CCN(C1)c2ccc(C(O)=O)c(NC3CC3)c2F	6
+CC(C)(C)OC(=O)NC1CCN(CC1)C(OCc2cc(Cl)cc(Cl)c2)=O	7330
+CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC(Cl)=CC(=O)N2CC	2803
+CC(C)(C)OC(=O)NC1CCN(CC1)CC2CN3C=4N2C(=O)C=CC=4N=CC3=O	123
+CC(C)(C)OC(NC1CCN(CC1)c2c3cc(F)ccc3nc(-c4c(cccc4)O)n2)=O	54
+CC(C)(C)OC(=O)NC1CCN(CC1)Cc2cc(c(Cl)cc2)OCC	48
+CC(C)(C)OC(=O)NC1CCN(CC1)Cc2ccc(OC)c(OCC)c2	48
+CC(C)(C)OC(=O)NC1CCN(CC1)Cc2ccc3c(OCCO3)c2	48
+CC(C)(C)OC(=O)NC1CCN(CC1)CCN2c3cc(OC)cnc3C=CC2=O	61
+CC(C)(C)OC(=O)NC1CCN(CC1)c2ccc(cc2)Br	560
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(O)=O	92
+CC(C)(C)OC(=O)NC1CCN(CC1)CC2(O)c3c(Cl)cnc4C=CC(=O)N(c34)C2	236
+CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)c2ccc(cc2)[N+]([O-])=O	92
+CC(C)(C)OC(=O)NC1CCN(CC1)c2ncc(c(c2)-c3nc4ccccc4n3C)F	323
+CC(C)(C)OC(=O)NC1CCN(CC1)CCc2c3c(ncc2)ccc(C#N)c3	7331
+CC(C)(C)OC(NC1CCCN(CC1)CCN(C)C)=O	236
+CC(C)(C)OC(NC1CCOCC1COc2c(F)cc(cc2)-c3ncc(cc3)Cl)=O	20
+CC(C)(C)OC(=O)NC1CCOCC1COc2ccc(cc2)-c3ccc(C#N)cn3	20
+CC(C)(C)OC(=O)NC1CCSC2N(C(CCC2)C(NCCC)=O)C1=O	9
+CC(C)(C)OC(NC1c2cccc(C(NO)=N)c2CC1)=O	181
+CC(C)(C)OC(=O)NC1CCN(C(CN2CCC(CC2)OC(=O)Nc3ccccc3-c4ccccc4)=O)C1	589
+CC(C)(C)OC(=O)NC1CN(CC(C1)C)c2ccncc2N	13
+CC(C)(C)OC(=O)NC1CN(c2ccncc2NC(c3nc4c(csc4cc3)Br)=O)CC(C)C1	510
+CC(C)(C)OC(=O)NC1CN(c2c(NC(=O)c3ccc4cc(oc4n3)C5CC5C)cncc2)CC(C)C1	510
+CC(C)(C)OC(=O)NC1CN(CC1)C(CN(c2ccc(cc2)Oc3ccccc3)C(=O)C=Cc4ccccc4)=O	472
+c1ccccc1C=CC(=O)N(CC(=O)N2CCC(N)C2)c3ccc(cc3)Oc4ccccc4	12
+c1cc(ccc1)COC(N2CC(N)CC2)=O	12
+O=S(=O)(c1c(C)c(Cl)ccc1)N2CC(N)CCC2	12
+CC(C)(C)OC(=O)NC1CCCN(C1)c2n(c3C(N(C(N(C)c3c2C=O)=O)C)=O)Cc4ccccc4Cl	287
+CC(C)(C)OC(NC1CN(CCC1N)C(C)=O)=O	45
+c1c(F)c(c(cc1)F)-c2nc(C(=O)Nc3cnc4CCCc4c3N5CC(N)CCC5)cs2	12
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(ncc2N)CCC3)C1	13
+C1C(CC1)n2c3nc(C(=O)Nc4c(ccnc4)N5CC(CC(C5)C)N)ccc3cc2	12
+CC(C)(C)OC(=O)NC1CN(c2c3c(OCC3)ncc2N)CC(C1(C)O)C	13
+C1C(N)CN(c2cc(ccc2)OCC(OC)=O)CC1	12
+CC(C)(C)OC(=O)NC1CCCN(c2cc(O)ccc2)C1	16
+C1C(N)CN(c2nc3c(ncnc3cc2)N)CC1	12
+CC(C)(C)OC(NC1C(CC)N(c2nc(C)c(s2)C(=O)OCC)C1)=O	641
+CC(C)(C)OC(=O)NC1C(=O)OC(C)C(C(CCI)C(=O)OC1)OC(C(C)C)=O	572
+CC(C)(C)OC(=O)NC1C(=O)OC(C)C(C(CCO)C(=O)OC1)OC(C(C)C)=O	21
+CC(C)(C)OC(=O)NC1CCC(CC(=O)O)OC1	4
+CC(C)(C)OC(=O)NC1COC(CC1)CC=O	24
+CC(C)(C)OC(NC1C(O)C(Cc2cc(F)c(c(F)c2)[N+]([O-])=O)CSC1)=O	100
+CC(C)(C)OC(NC1Cc2ccc(cc2C1)Oc3ncc(C(=O)N)cc3)=O	136
+C1CC1C2C(C)C(N)c3cc(Br)ccc3N2C(C)=O	12
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3cccc4c3CCC4N)cc1	12
+CC(C)(C)OC(=O)NC1c2ccccc2C(CC1)OCc3ccnc(c3)N	149
+C(Nc1nccc(c1)COC2CCC(N)c3ccccc23)(COC)=O	12
+CC(C)(C)OC(=O)NC=1COCC(c2cc(cc(c2F)F)N)(N=1)C(F)F	0
+CC(C)(C)OC(=O)NC1=NC(c2c(c(F)cc(c2)NC(=O)c3ncc(C#N)cc3C)F)(COC1)C(F)F	187
+CC(C)(C)OC(NCC#CC=1c2nc(Nc3ccc(cc3)N4CCOCC4)ncc2C(N(c5c(cccc5Cl)Cl)C=1)=O)=O	1334
+CC(C)(C)OC(NCCCc1c(nc(nc1NCCCCC)N)C)=O	2065
+C1(c2c(cccc2)CN(C1)C(=O)CN)OC	84
+C1CN(CCN1C(CN)=O)C(CN2C(c3c(cccc3)S2)=O)=O	84
+CC(C)(C)OC(NCC(=O)NC(C(=O)NC)Cc1ccccc1)=O	9
+CC(C)(C)OC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O	4
+CC(C)(C)OC(=O)NCC(Nc1cc(c(C=O)cc1)Cl)=O	39
+CC(C)(C)OC(=O)NCC(C=O)C	378
+c1cc(ccc1COC(c2c(C)cc(cc2)C)=O)C(C(Nc3cc(c(C(=O)N)cc3)F)=O)CN	12
+CC(C)(C)OC(=O)NCC(C)(C)COc1c2nc(ccc2ccc1)-c3nnc4cc(C)ccn34	1920
+CC(C)(C)OC(NCC(C)(C)NS(=O)(=O)C)=O	2804
+CC(C)(C)OC(=O)NCC(C)(C)NC(=O)c1ccc2c(nccc2-c3c(-c4cccc(n4)C)nn5CCCc35)c1	14
+c1cc(ccn1)-c2c(nc(C(C)(C)CN)[nH]2)-c3ccc(Cl)c(OC)c3	12
+CC(C)(C)OC(=O)NCC(C(N(C)OC)=O)C	164
+CC(C)(C)OC(NCC(C)NC(=O)c1ccccc1O)=O	14
+CC(C)(C)OC(NCC(C)OCCOC)=O	76
+c1cc(ccc1C(CN)C)C#Cc2ccc(cc2)OCCC	12
+CC(C)(C)OC(NCC(C1CC1)N(C(=O)c2c(sc(C)n2)-c3ccccc3)C)=O	837
+CC(C)(C)OC(NCC(N)C1CC1)=O	7332
+CC(C)(C)OC(NCC(CNC(C(=O)OC)C)C)=O	1315
+CC(C)(C)OC(NCC(CN1CCC(CC1)Oc2ccc(cc2)F)NC(OCc3ccccc3)=O)=O	183
+c1cc(ccc1F)OC2CCN(CC2)CC(CN)NC(C=Cc3c(ccc(c3)C#N)OC)=O	12
+CC(C)(C)OC(=O)NCC1COCc2nc3c(c4ccccc4nc3)n12	2130
+CC(C)(C)OC(=O)NCC(COCC)N	45
+CC(C)(C)OC(NCC(N1CCC(CC1)(C(NCc2ncccc2C)=O)COC(Nc3ccc(cc3)CC)=O)=O)=O	589
+CC(C)(C)OC(=O)NCC(N1CCC(CC1)(C(=O)NCc2c(cccn2)C)CO)=O	9
+CC(C)(C)OC(=O)NCC(N1CCC(CC1)(C(=O)O)CO)=O	4
+FC(F)(F)c1ccccc1C(N2CCN(CC2)C(=O)CN)=O	84
+n1cc(cnc1N)-c2nc3c(sc(c3C)CN4CCN(CC4)C(CN)=O)c(n2)N5CCOCC5	84
+CC(C)(C)OC(=O)NCC(CI)NC(=O)OCc1ccccc1	343
+c1cc(ccc1C=2c3c(-n4c(C(CC(NCCNC(=O)CN)=O)N=2)nnc4C)ccc(c3)OC)Cl	84
+CC(C)(C)OC(=O)NCC(N1C(=O)c2ccccc2C1=O)Cc3ccccc3	1579
+CC(C)(C)OC(=O)NCC(c1ncc(C(=O)O)cc1)O	1
+CC(C)(C)OC(NCC(SC(C)=O)C)=O	2128
+CC(C)(C)OC(NCC(N=[N+]=[N-])C)=O	298
+CC(C)(C)OC(=O)NCC(c1c(C)cccc1C)COCc2c(F)cccc2F	149
+CC(C)(C)OC(=O)NCC(O)c1ccc(C(=O)OC)cn1	1394
+CC(C)(C)OC(=O)NCC(C(Nc1cc(c(C(=O)N)cc1)F)=O)c2ccc(cc2)COC(c3c(C)cc(cc3)C)=O	7333
+c1cc(ccc1Cl)C(CN)CC(=O)Nc2ccccc2	12
+CC(C)(C)OC(NCC(c1ccccc1)N)=O	45
+CC(C)(C)OC(=O)NCC(c1ccccc1)N2C(c3ccccc3C2=O)=O	2131
+CC(C)(C)OC(=O)NCC(c1ncc(C(=O)NCc2ccccc2)cc1)O	56
+C1CC1(c2nnc(o2)C3CCC4N(C(=O)N3C4)OCc5ccccc5)CN	12
+C1CN(CCO1)C2(CN(C2)S(=O)(=O)CCC)CN	12
+CC(C)(C)OC(NCC1(CCNC1)O)=O	25
+CC(C)(C)OC(=O)NCC1(CN(C1)S(=O)(=O)CCC)N2CCOCC2	112
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(c2c(C=1OCCCC)cc(cc2)O)=O	16
+CC(C)(C)OC(NCC1CCC(CC1)c2ccc(cc2)N)=O	890
+CC(C)(C)OC(NCC1CCNC1)=O	25
+CC(C)(C)OC(NCC1C(=NOC)CNC1)=O	62
+CC(C)(C)OC(=O)NCC1n2c3c(nc2COC1)c[n+](c4c3cccc4)[O-]	359
+C(C1COCc2nc3c(N)nc4c(c3n12)cccc4)N	12
+CC(C)(C)OC(NCC(CNc1cc2c(N(CCF)C(C2)=O)c(c1)F)O)=O	843
+CC(C)(C)OC(NCC(O)CNc1cc2CCOC(N(C)c2cc1)=O)=O	843
+CC(C)(C)OC(N(CCCC(C)C)CC1CCCc2c(Oc3ncc(cc3)C#N)cccc12)=O	7334
+CC(C)(C)OC(=O)NCC1n2c3c4c([n+]([O-])c(c3nc2COC1)N)cccc4	574
+CC(C)(C)OC(=O)NCC1COCc2nc3c(nc4c(c3n12)cccc4)N	445
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(=O)c2c(C=1OCCCC)cc(cc2)-c3sc(c(C)n3)C#N	1812
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(=O)c2c(C=1OCCCC)cc(cc2)-c3sc(c(C)n3)C(N)=O	1169
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(=O)c2c(cc(-c3nc(c(C(=O)O)s3)C)cc2)C=1OCCCC	6
+CC(C)(C)OC(=O)NCC1=C(c2c(ccc(OCC(=O)N)c2)C(=O)N1CC(C)C)OCCCC	2805
+C(C=Cc1cc2c(ncnc2cc1)Nc3cc(c(cc3)Oc4cnc(C)cc4)Cl)N	4120
+CC(C)(C)OC(NCCC#Cc1ccc(c(NCC)n1)C(NC)=O)=O	2348
+CC(C)(C)OC(NCCC(=O)Nc1ccc(cc1)C#CCCNC(=O)OCc2ccccc2)=O	121
+C(CC)N(CCC)C(COC(CCN)=O)=O	12
+CC(C)(C)OC(=O)NCCC(c1ccccc1)Nc2nccc(-c3n4ccnc(N5CCN(CC5)C)c4nc3)n2	435
+CC(C)(C)OC(NCCC(N)c1cc(ccc1)Cl)=O	45
+CC(C)(C)OC(=O)NCCc1nnc(C(C)C)o1	1037
+CC(C)(C)OC(=O)NCCc1oc(C)nn1	1037
+O=S(=O)(C)NC(=O)CCN	12
+CC(C)(C)OC(NCCC(Nc1ccc(cc1)CCCCNC(=N)NC(=O)c2c(nc(N)c(n2)Cl)N)=O)=O	4128
+CC(C)(C)OC(=O)NCCC(NNC(=O)C(C)C)=O	1038
+CC(C)(C)OC(NCCC(=O)N(CC(C)C)Cc1cc2OCCCOc2c(Cl)c1)=O	10
+CC(C)(C)OC(=O)NCCC(NNC(=O)C)=O	1038
+CC(C)(C)OC(=O)NCCC(NS(=O)(=O)C)=O	344
+CC(C)(C)OC(NCCC(Nc1ccc2c(n(S(=O)(=O)c3c4c(cccc4)ccc3)nc2)c1)=O)=O	33
+CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(cc1)I	33
+C1CCOC1COc2cccc(C(CCN)O)c2	12
+CC(C)(C)OC(NCCC(=O)c1cc(O)ccc1)=O	155
+CC(C)(C)OC(=O)NCCC(O)c1cc(OCC2OCCC2)ccc1	450
+CC(C)(C)OC(NCCC(O)c1cc(OCc2cccc(n2)C)ccc1)=O	885
+CC(C)(C)OC(=O)NCCC(c1cc(ccc1)OCc2ccncc2)O	22
+CC(C)(C)OC(NCCC(c1ccccc1)N2C(=O)c3c(C2=O)cccc3)=O	2131
+CC(C)(C)OC(=O)NCCC(O)c1cccc(O)c1	16
+CC(C)(C)OC(=O)N(CCC(c1ccc(cc1)N(C)c2ccc(cc2)OCc3ccccc3)C)C	397
+c1ccccc1C(CCN)Nc2nc(-c3n4ccnc(N5CCN(CC5)C)c4nc3)ccn2	12
+c1ccccc1C(CCN)Nc2nccc(n2)-c3n[nH]c4nc(NCCN5CCOCC5)ncc34	12
+CC(C)(C)OC(NCCC1(CCCC1)C(NC(Cc2ccc(cc2)[N+]([O-])=O)C(=O)OC)=S)=O	199
+c1cc(c(cc1CN2C(CCN)CC=CC2)Cl)Cl	12
+CC(C)(C)OC(N(C)CCC1CCN(CC1)C(OCc2cc(Cl)cc(Cl)c2)=O)=O	397
+C1CN(CCC1CCN)c2c3sc(C(N)=O)cc3nc(C)n2	12
+C1CC(CCN1c2ncnc3cc(C(N)=O)sc23)CCN	12
+CC(C)(C)OC(=O)NCCC1CCN(CC1)C(OCc2cc(Cl)cc(Cl)c2)=O	66
+CC(C)(C)OC(=O)NCCC1CCN(CC1)c2c3sc(C(N)=O)cc3nc(C)n2	2094
+CC(C)(C)OC(=O)NCCCN1c2c(cc3ccccc3c2)-c4nn(c(c4C1=O)C)C(OC(C)(C)C)=O	4129
+CC(C)(C)OC(=O)NCCCOc1c2CCCCc2c(C=O)cc1	8
+CC(C)(C)OC(=O)NCCCOc1cc(ccc1C(OC)=O)Br	8
+CC(C)(C)OC(=O)NCCCN1c2c(-c3nn(Cc4ccccc4)c(c3C1=O)C)cc5CCCCc5c2	4129
+CC(C)(C)OC(=O)NCCCN1C(CCC1)CN2N=C(Cc3ccc(cc3)Cl)c4ccccc4C2=O	28
+CC(C)(C)OC(=O)N(C)CCCC#C	397
+CC(C)(C)OC(NCCCC(C)(C)COS(=O)(=O)CCCNC(=O)C)=O	7
+C1N(CC1CCCCN)C(c2ccccc2)=O	12
+CC(C)(C)OC(=O)NCCCCC1CN(C1)C(c2ccccc2)=O	115
+CC(C)(C)OC(N(C)CCCCCC(OC)=O)=O	397
+CC(C)(C)OC(=O)NCCCCCCN1C(=O)C=Cc2c1cccc2	7335
+CC(C)(C)OC(NCCCCCCNCCCn1c(nc2c(N)ncnc12)Sc3cc(Cl)cc(c3)Cl)=O	132
+c1cccc2N(C(C=Cc12)=O)CCCCCCN	12
+CC(C)(C)OC(=O)NCCCCCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)NCCCCCn1cnc(-c2ccccc2)c1-c3ccccc3	1193
+c12cnc(-c3cnn(CCCCCN)c3)cc1c4cc(cnc4[nH]2)OC	12
+CC(C)(C)OC(NCCCCNCc1c(cccn1)-c2ccccc2)=O	294
+CC(C)(C)OC(NCCCCNc1c2c(cc(cc2)OCc3ccccc3)ncc1[N+]([O-])=O)=O	105
+CC(C)(C)OC(=O)NCCCCN1CCNCC1	62
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(=O)O	3
+CC(C)(C)OC(=O)NCCCCc1ccc(cc1)NCCCC(=O)OCC	601
+CC(C)(C)OC(=O)NCCCCc1ccc(cc1)NCCCC(N)=O	728
+c1cc(ccc1CCCCN)NCCCC(N)=O	12
+CC(C)(C)OC(NCCCCc1ccc(cc1)OCCNC(OCc2ccccc2)=O)=O	8
+CC(C)(C)OC(=O)NCCCCn1c(nc2c[n+](c3cc(OCc4ccccc4)ccc3c12)[O-])CCOC	359
+CC(C)(C)OC(=O)NCCCNC(C(C)C)C1=Nc2nc3c(cccc3)nc2C(=O)N1Cc4ccccc4	1682
+CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	71
+CC(C)(C)OC(=O)NCCCNC(Nc1cc([N+]([O-])=O)ccc1)=O	282
+CC(C)(C)OC(NCCCNc1c2ccccc2ncc1[N+]([O-])=O)=O	7336
+CC(C)(C)OC(=O)NCCCNC(=S)N	2806
+CC(C)(C)OC(=O)NCCCNC(=O)c1cnc(Nc2ccc(cc2)C#N)nc1NCCC	484
+CC(C)(C)OC(NCCCNC(CC)C=1N(C(c2c(N=1)onc2C)=O)Cc3ccccc3)=O	1682
+c1cc(ccc1Cl)CC=2c3ccccc3C(N(CC4CCCN4CCCN)N=2)=O	12
+c1cc(ccc1Cl)CC2CN(C2)CCCN	12
+C1CN(CCC12CCN(C2)c3ncnc4[nH]cc(c34)Cl)CCCN	12
+CC(C)(C)OC(NCCCN1CCC2(CC1)CCNC2)=O	62
+CC(C)(C)OC(=O)NCCCNC(=O)c1cnc(Nc2ccc(cc2)C(=O)N)nc1NCCC	216
+c1([N+]([O-])=O)cc(ccc1)NC(NCCCN)=O	12
+CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2c(Cl)c(ccc2)Cl)c1O	124
+CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(c([N+](=O)[O-])ccc1Cl)O	1683
+CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(Cl)ccc(N)c1O	0
+CC(C)(C)OC(NCCCn1c(CCCC)nc2cnc3c(c12)cccc3)=O	546
+CC(C)(C)OC(NCCCn1c(Nc2cc(OC)c(c(OC)c2)OC)nc3c1cc(cc3)C(OC)=O)=O	1023
+CC(C)(C)OC(=O)NCCCNc1cc(ccc1N)C(=O)OC	0
+CC(C)(C)OC(=O)NCCCOCCOCCOCCCNC(c1ccc(cc1)C#CC#N)=O	93
+CC(C)(C)OC(=O)NCCCOc1c2c(CCCC2)c(C=CCCN=[N+]=[N-])cc1	2053
+c1c(cc(c(C(=O)OC)c1)OCCCN)Br	12
+C(C=CCC=CCCC(N(CCN)C)=O)C=CCC=CCC=CCC=CCC	12
+CC(C)(C)OC(=O)NCCN(C)CCNC(CCC(=CCc1c(OC)c(C)c2c(C(OC2)=O)c1O)C)=O	9
+CC(C)(C)OC(=O)NCCN(C(OC(C)(C)C)=O)C1CCC(CC1)(O)CC(=O)O	210
+C1c2c(ccc(Br)c2)CC1N3CCNCC3=O	7337
+c12cc(C3=CC4N(CCN)C(C3)CC4)ccc1cccc2	12
+CC(C)(C)OC(NCCn1nc(cc1C(OCC)=O)OCc2ccccc2)=O	7338
+CC(C)(C)OC(NCCNC(=O)CCN)=O	102
+CC(C)(C)OC(NCCNC(=O)Nc1ccc(cc1)NC(=O)ON2C(CCC2=O)=O)=O	7339
+C(=CCC=CCC=CCCC(=O)NCCN)CC=CCC=CCC=CCC	12
+C1CN(CCN1C(C)=O)c2cc(ncc2)Nc3sc(cn3)-c4cc(cnc4)C(NCCN)=O	12
+n1c(Nc2c(Cl)cccn2)sc(c1)-c3cncc(C(NCCN)=O)c3	12
+CC(C)(C)OC(=O)NCCN(C(=O)c1ccccc1)Cc2ccc(OCc3ccccc3F)c(c2)OC	115
+CC(C)(C)OC(=O)NCCNS(=O)(=O)c1c2c(cc(-c3ccccc3)c1)cncc2	11
+n1c2c(cccc2)c(cc1-c3ccccc3O)NCCN	12
+CC(C)(C)OC(NCCOc1c(I)c(c(Cl)cc1C(C)=O)C#N)=O	20
+CC(C)(C)OC(=O)NCCON1C(=O)c2ccccc2C1=O	1395
+CC(C)(C)OC(NCCOc1ccc2c(ccn2S(=O)(=O)c3ccccc3)c1)=O	20
+CC(C)(C)OC(NCCOc1cc(Br)cnc1)=O	981
+CC(C)(C)OC(=O)NCCOCCOc1cc2c(c3c(cn2)nc(s3)CCC)cc1	116
+CC(C)(C)OC(=O)NCCOCCNC(c1ccccc1O)=O	3425
+CC(C)(C)OC(=O)NCCOCCNC(c1cnccc1)=O	56
+CC(C)(C)OC(NCCOCCNc1c(cnc2ccccc12)[N+](=O)[O-])=O	105
+CC(C)(C)OC(=O)NCCOCCN	18
+CC(C)(C)OC(=O)NCCOCCOc1c(OC)cc([N+]([O-])=O)cc1	262
+CC(C)(C)OC(=O)NCCOCCN=[N+]=[N-]	133
+CC(C)(C)OC(=O)NCCOCCOc1ccc(cc1OC)N	0
+CC(C)(C)OC(=O)NCCOCCOc1cc(N)ccc1	0
+CC(C)(C)OC(=O)NCCOCCOc1cc2c(cc1)c3c(nc(CCC)s3)c([n+]2[O-])N	7340
+CC(C)(C)OC(=O)NCCOCCOc1cc2[n+]([O-])cc3nc(CCC)sc3c2cc1	359
+CC(C)(C)OC(=O)NCCOCCOc1ccc2c3c(c(nc2c1)N)nc(CCC)s3	445
+c1c2c(ccc1OCCOCCN)c3sc(nc3c(N)n2)CCC	12
+CC(C)(C)OC(=O)NCCONC(=O)C1CCC2CN1C(=O)N2OCc3ccccc3	293
+CC(C)(C)OC(=O)NCCON	670
+CC(C)(C)OC(=O)NCCONC(=O)C1N2C(=O)N(O)C(CC1)C2	2674
+c1c(C)c(c(cc1OCCN)C)Br	12
+CC(C)Oc1ncc(c(C(=O)OC)c1C)OCCN	12
+CC(C)(C)OC(=O)NCCSCCCn1ncc(-c2nc(C(=O)OC)ccc2)c1	1105
+Clc1c[n+]([O-])cc(CCN)c1	12
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2cccc(Oc3nc(ncc3)Cl)c2	185
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2cccc(c2)Oc3ccnc(C#N)n3	738
+c1cc(ccc1-c2cccc(c2)Oc3ccnc(C#N)n3)CCN	12
+CC(C)(C)OC(=O)NCCc1ccc(cc1)C#N	160
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2cc(O)ccc2	11
+c1cc(ccc1C#N)CCN	12
+CC(C)(C)OC(NCCc1ccc(cc1)CO)=O	49
+CC(C)(C)OC(=O)NCCc1ccc(cc1)NCc2ccccc2	208
+CC(C)(C)OC(=O)NCCc1ccc(cc1)Oc2ccc(cc2)Cl	472
+c1cc(ccc1Oc2ccc(cc2)Cl)CCN	12
+c1cc(ccc1F)Oc2ccc(cc2)CCN	12
+CC(C)(C)OC(NCCc1c(cc(cc1)C(C)C)OCCCC(=O)OCC)=O	8
+CC(C)(C)OC(NCCc1cc(C#N)ccc1)=O	160
+CC(C)(C)OC(=O)NCCc1cc(Cl)c[n+](c1)[O-]	103
+Clc1cnc(CCN)c(Cl)c1	12
+CC(C)c1oc(CCN)nn1	12
+n1c(oc(CCN)n1)C	12
+c1c(c(I)ccc1OC)Sc2n(c3ncnc(N)c3n2)CCN	12
+FC(F)(F)Oc1cccc(c1)Oc2ccc(Nc3c4c(ncn3)ccn4CCN)cc2C	12
+CC(C)(C)OC(=O)NCc1ccc(-c2cc(nc(Cl)c2)OC)cc1F	91
+CC(C)(C)OC(NCc1c(cc(F)cc1)OCCCCS(=O)(=O)NC)=O	116
+FC(F)(F)c1cc(ccc1Nc2cc(F)c(CN)nc2)OC	12
+CC(C)(C)OC(=O)NCc1c(O)cc(F)cc1	16
+CC(C)(C)OC(=O)NCc1c2c(OC)cc(cc2c(cn1)C(=O)N(CCN(C)C)Cc3ccccc3)OC	211
+CC(C)(C)OC(NCc1ncc(c2cc(OC)cc(c12)OC)C(N3Cc4ccccc4CC3)=O)=O	211
+CC(C)(C)OC(=O)NCc1ncc(C(=O)N(Cc2ccccc2)C)c3cc(OC)cc(OC)c13	211
+CC(C)(C)OC(=O)NCc1c2c(OC)cc(OC)cc2c(C(O)=O)cn1	6
+c1ccccc1CN(CCN(C)C)C(c2cnc(c3c(OC)cc(OC)cc23)CN)=O	12
+CC(C)(C)OC(NCc1ncc(CC(O)=O)c2cc(c(OC)cc12)OC)=O	3
+CC(C)(C)OC(NCc1c(C)nc(c(C#N)c1)N)=O	1684
+CC(C)(C)OC(=O)NCc1ccc(O)c(C(N)=O)c1	169
+CC(C)(C)OC(=O)NCc1cc(Nc2nc3c(n2C)cc(c(c3)C(O)=O)OCC(F)F)c(Cl)cc1	6
+CC(C)(C)OC(=O)NCc1cc(Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(cc3n2C)OCC(F)F)c(Cl)cc1	67
+FC(F)COc1c(C(=O)Nc2ccc(cc2)Br)cc3nc(Nc4c(ccc(CN)c4)Cl)n(C)c3c1	12
+c1(c(Nc2c(cccc2)C(=O)NC)nc(nc1)Nc3cccc(CN)c3)Cl	12
+CC(C)(C)OC(=O)NCc1ccc(cc1F)-c2cc(nc(OC)c2)-c3cnn(C)c3	1396
+CN(C)CC1CCCN1c2c(Cl)cc3nc(Nc4cc(ccc4Cl)CN)[nH]c3c2	12
+c1cc(ccc1NC(=O)c2cc(ccc2OC)NC(c3cc(CN)ccc3Cl)=O)Br	12
+CC(C)(C)OC(=O)NCc1ccc(CO)c(Cl)c1	88
+CC(C)(C)OC(NCc1ccc(cc1)-c2cccc(OCCCCOCc3ccccc3)c2)=O	20
+CC(C)(C)OC(=O)NCc1ccc(cc1)-c2cc(O)ccc2	16
+c1cc(ccc1CN)-c2csc(NC(C3CC3)=O)n2	12
+CC(C)(C)OC(=O)NCc1ccc(cc1)-c2cccc(OCc3ccccc3)c2	11
+CC(C)(C)OC(=O)NCc1ccc(cc1)CO	98
+C1CCCCC1(c2ccc(cc2)CN)O	12
+CC(C)(C)OC(NCc1ccc(cc1)CNCCCCNC(=O)OCc2ccccc2)=O	42
+CC(C)(C)OC(=O)NCc1ccc(cc1)C=O	39
+CC(C)(C)OC(=O)NCc1ccc(cc1)NC(=O)CCc2cccc3c2B(O)OC3	33
+c1cc(ccc1CN)N2C(=O)OC(C(=O)O)C2	12
+CC(C)(C)OC(=O)NCc1ccc(cc1)N2C(OC(C2)C(N3CCN(CC3)CCC(=O)OCc4ccccc4)=O)=O	10
+CC(C)(C)OC(=O)NCc1ccc(cc1)N2C(OC(C2)C(N3CCN(CC3)CCC(=O)O)=O)=O	210
+c1cc(ccc1CN)NC(=O)CCc2cccc3c2B(O)OC3	12
+c1(-c2cc(F)c(cc2)CN)cc(OC)nc(-c3cnn(C)c3)c1	12
+CC(C)(C)OC(=O)NCc1cccc([N+]([O-])=O)c1C(O)=O	1
+CC(C)(C)OC(=O)NCc1cccc(N)c1C(=O)O	0
+C1CCCCC1Cc2ccc(CN)cn2	12
+CC(C)(C)OC(NCc1sc(c(C(F)(F)F)n1)C(N)=O)=O	4130
+Clc1cccc(CCNC(=O)c2nc(CN)sc2)c1	12
+CC(C)(C)OC(=O)NCc1nc2C(=O)N(C(=O)N(C)c2[nH]1)CCCCC(C)OS(=O)(=O)C	710
+CC(C)(C)OC(=O)NCc1sc(COC(C)=O)cn1	27
+C1CCCCC(C1)Oc2ccc(CN)nc2	12
+CC(C)(C)OC(=O)N(Cc1nnc(C)s1)c2nc(C)nc(c2)OCC3C(c4ncc(C(C)(C)O)cc4)C3	7341
+c1(sc(CNC=O)nc1)COC(=O)C	7342
+CC1(C)C2(C3=C(C(=O)N(N3)c4c(Cl)cc(cc4)F)C1CC2)C	7343
+CC1(C)C2C(C(C1(C)CC2)=O)C(N(c3ccc(cc3Cl)F)N)=O	2132
+O=S(=O)(c1ccc2c(c1)ccc(c2)Cl)N3CC(=O)N(N)CC3	2132
+CC(C)(C)OC(=O)NN1C(CN(S(=O)(=O)c2cc3c(cc(Cl)cc3)cc2)CC1)=O	3469
+NNC(c1ccc([N+]([O-])=O)cc1OCC)=O	1685
+Cc1ccc(cc1-c2cc3nnc(-c4c(cccc4)Cl)n3cc2)C(=O)NN	1685
+c1cc(ccc1-c2ncc(C#N)cc2)C3(CC3)C(NN)=O	2132
+CC(C)(C)OC(=O)NNC(=O)OCCc1ccc(cc1)N	0
+c1cc(ccc1-c2c(ccc(c2)C(=O)NC3CC3)C)C(NN)=O	1685
+c1ccccc1COC(=O)N2C3CC(C(C3)C2)NN	2133
+C1CC1C(NCc2ccc(c(N3NC(=NC3=O)c4c(cc(cc4)Cl)F)c2)Cl)=O	2807
+FC(F)(F)C(=O)NCc1cc(C2=NC(=O)N(N2)c3cc(Cl)c(F)cc3)c(cc1F)Cl	2807
+FC(F)(F)C(NCc1cc(c(Cl)cc1)C=2NC(=O)N(c3cc(Cl)c(cc3)F)N=2)=O	7344
+CC(C)C(=O)NCc1cc(N2NC(=NC2=O)c3ccc(c(F)c3)I)c(cc1)Cl	2807
+c1c(NN)ccc(C)c1Cl	2133
+C1CC1CNC(=O)c2cc(NN)ccc2	2133
+CC(C)(C)OC(NOC(Cc1ccccc1)C(=O)O)=O	210
+CC(C)(C)OC(=O)NOCC(NNC(=O)c1cc(cc(OCc2ccccc2)c1OCc3ccccc3)S(=O)(=O)O)=O	708
+CC(C)(C)OC(NOCCCCN)=O	45
+c12c(cc(OCC(NCCCCON)=O)cc1)OC(C=C2C)=O	7345
+CC(C)(C)OC(Nc1nc2cc(c(c(C)c2[nH]1)N)C)=O	0
+Cc1c(cccc1)-c2c(sc(C)n2)N	2808
+CC(C)(C)OC(=O)N(c1c(Br)c2cc(S(=O)(=O)C)ccc2cc1)CC=CCl	4131
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)CC(C(=O)OC)NC(C)=O)cn(C)n1)=O	1122
+C1C(CC1)C#Cc2cc(Cl)ncc2N	473
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4ccc(cc34)C5(CCC5)C(OCC)=O)N	7346
+Nc1c(ccnc1)C(=O)O	473
+CC(C)(C)OC(=O)Nc1sc(-c2c(cc(F)cc2)F)cc1C(OC)=O	268
+CC(C)(C)OC(Nc1sc(cc1C(=O)OC)-c2ccc(cc2)F)=O	268
+CC(C)(C)OC(=O)N1CCC2CN(CCC12)c3c(Cl)c(cc(C#N)c3)N	78
+Nc1c(nc(c(-c2ccncn2)c1)-c3occc3)Cl	473
+CN(C)c1ncc(cc1N)[N+](=O)[O-]	473
+CC(C)(C)OC(=O)Nc1c(NC(CC(=O)c2cccc(c2)-n3cncc3)=O)cc(C#Cc4ccc(cc4)F)cc1	1397
+CC(C)(C)OC(Nc1ccc(I)cc1NC(=O)CC(=O)c2cccc(C#N)c2)=O	3504
+N1c2cc(ccc2N=C(c3cc(ccc3)C#N)CC1=O)-c4occc4	690
+c1cc(ccc1F)C#Cc2cc(c(N)cc2)NC(CC(c3cccc(c3)-n4cncc4)=O)=O	78
+c1ccccc1C#Cc2ccc3N=C(CC(=O)Nc3c2)c4cccc(-n5c(nc(C)c5)C)c4	690
+C1(CCC(Nc2nc(Nc3cc(F)ccc3N)ncc2[N+]([O-])=O)c4c1cccc4)=O	78
+CC(C)(C)OC(=O)Nc1c(N)cc(c(N(C)CCOC)c1)Cl	0
+c1(c(Cl)nccc1N)F	78
+Clc1c(c(F)ccc1N)Cl	78
+Nc1cc(C)cc(c1F)Br	78
+CC(C)(C)OC(=O)Nc1cccc(OC)c1N	0
+Nc1cccc(c1[N+]([O-])=O)OC	78
+c1c(cccc1C(=O)CC(=O)Nc2c(N)ccc(c2)-c3c(ccc(F)c3)F)C#N	78
+c1ccccc1NC(C(c2ccc(cc2)C(=O)Nc3cc(-c4ccsc4)ccc3N)CNC(C)=O)=O	78
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(CNC(NC)=O)C(O)=O	4
+CC(C)(C)OC(=O)Nc1ccc(cc1NC(=O)CC(=O)c2cccc(C#N)c2)C#Cc3ccccc3F	1397
+CC(C)(C)OC(=O)Nc1c(NC(CC(c2cc(-n3c(nc(C)c3)C)ccc2)=O)=O)cc(C#Cc4ccccc4)cc1	496
+CC(C)(C)OC(=O)Nc1c(cc(C#Cc2ccccc2)cc1)NC(=O)CC(=O)c3cccc(C#N)c3	1397
+c1ccccc1C#Cc2ccc3c(c2)NC(CC(c4cccc(c4)C#N)=N3)=O	690
+CC(C)(C)OC(=O)Nc1c(I)nc(CO)cc1C	194
+CC(C)(C)OC(=O)Nc1cc(c(C#N)cc1N)N(CC)CC	0
+CC(C)(C)OC(=O)Nc1c(cc(Cl)c(N(C)C)c1)N	0
+CC(C)(C)OC(=O)Nc1c(cc(-c2cc(ccc2F)F)cc1)NC(CC(=O)c3cccc(C#N)c3)=O	1397
+CC(C)(C)OC(=O)Nc1c(cc(-c2ccc(cc2)OC)cc1)NC(=O)CC(=O)c3cccc(C#N)c3	1397
+C(Oc1cc(OC)ccc1N)CCBr	78
+c1c(CC)c(c(cc1-c2ccc(cc2)Cl)CC)N	78
+CC(C)(C)OC(Nc1cc(N)c(cc1F)Cl)=O	196
+c1(c(N)c(OC)ncc1)C	473
+CC(C)(C)OC(Nc1conc1-c2ccc(cc2)O)=O	686
+O=S(=O)(NC(C1(CC1)c2ccc(cc2)-c3ccc(cc3)-c4onc(C)c4N)=O)C	2809
+CC(C)(C)OC(Nc1ccsc1C(=O)Nc2cccc(c2)OC)=O	2810
+c1(c(N)c2c(cc1)CCCO2)F	78
+CC(C)(C)OC(Nc1cccc2CCCN(C)c12)=O	891
+N#CCOc1c2ccccc2c(N)cc1	78
+CC(C)(C)OC(Nc1nccc(c1)C#Cc2cc(N)ccc2)=O	3234
+Nc1c(c(cc(C#N)c1)C(C)CCO)Cl	78
+CC(C)(C)OC(=O)Nc1cc(C)c(CNC(=O)c2cn(Cc3cc4c(cc3)nc(cc4)C)nn2)c(C)n1	7347
+Cc1c(c(C)cc(n1)N)CNC(c2nnn(Cc3ccc4c(ccc(n4)C)c3)c2)=O	451
+c1(c(c(c(c(C)c1)O)C)C)NC	352
+CC(C)(C)OC(=O)Nc1cc(C)c(CNC(Cc2c(F)c(ccc2Cl)NCC(F)(F)c3ccccc3)=O)c(C)n1	9
+CC(C)(C)OC(Nc1cc(C)c(c(C)c1)Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)=O	452
+CC(C)(C)OC(Nc1cc(-c2c(N)cncc2)cc(C)c1)=O	13
+CC(C)(C)OC(=O)Nc1nccc(CCC(=S)N)c1	199
+CC(C)(C)OC(=O)Nc1cc(ccn1)CCC(O)=O	4
+c1cc(ccc1-n2c(C(C)(C)c3ccc(c(OC)c3)Cl)cnc2SCc4c(cc(N)cc4F)Cl)F	78
+CC(C)(C)OC(=O)Nc1c([N+]([O-])=O)cc2c(noc2c1)N	2134
+CC(C)(C)OC(=O)Nc1cnc(c(F)c1I)Cl	916
+Fc1c(c(c(cc1F)N)F)C(c2cc3c(ncc(n3)Cl)cc2)=O	78
+CC(C)(C)OC(=O)Nc1cc(N(C)C)c(C)cc1N	0
+CC(C)(C)OC(=O)Nc1cc(N(C2CC2)c3ncc4nc(sc4n3)N)ccc1	2811
+CC(C)(C)OC(=O)Nc1cc(N(C2CC2)c3ncc4nc(sc4n3)NC(C)=O)ccc1	290
+C1CC1N(c2cc(ccc2)N)c3nc4sc(NC(C)=O)nc4cn3	78
+CC(C)(C)OC(Nc1cc(N2C(C=C(OC)C2=O)=O)cc(N3C(C=C(C3=O)C)=O)c1)=O	7348
+[N-]=[N+]=Nc1cc(Cl)cc(N)c1	78
+CC(C)Nc1cc2N=C(CC(Nc2cc1Cl)=O)c3cccc(-c4onc(C)c4)c3	690
+CC(C)(C)OC(=O)Nc1cc(Nc2c(cnc(n2)Nc3ccc(OCCOC)c(OCc4ccccc4)c3)F)ccc1	55
+c1(N)cccc(Nc2nc(Nc3cc(O)c(cc3)OCCOC)ncc2F)c1	78
+CC(C)(C)OC(Nc1ccc(C)c(c1)OCCN(C)C)=O	72
+C1CC1C(=O)Nc2nc3n(cc(Oc4cc(c(Cl)cc4)N)cc3)n2	78
+c1ncncc1Oc2cc(cc(c2)Cl)N	78
+CC(C)(C)OC(Nc1cc(N)c(cc1)C)=O	0
+CC(C)(C)OC(=O)Nc1c(N)cc(-n2cccc2)c(OCCOC)c1	0
+CN(C)c1c(cc2NC(=O)CC(c3cc(ccc3)-c4onc(C)c4)=Nc2c1)C	690
+CC(C)(C)OC(=O)Nc1cc(C)c(c(C)n1)CN	388
+C1CN(CCN1C)c2ccc(cc2Cl)N	78
+CC(C)(C)OC(=O)Cn1c(CCC)nc2cc(NC(=O)OC(C)(C)C)ccc12	4132
+CC(C)(C)OC(=O)Nc1c(Cl)c(cc(c1)C#N)N2CC3CCN(C(=O)OC(C)(C)C)C3CC2	79
+CC(C)(C)[Si](C)(C)OC1CN(CCC1N2CCOCC2)c3cc(cc(NC(OC(C)(C)C)=O)c3Cl)C#N	79
+CC(C)(C)[Si](C)(C)OCC1CN(CCN1C2COC2)c3c(c(cc(C#N)c3)NC(OC(C)(C)C)=O)Cl	79
+CC(C)(C)OC(=O)Nc1cc(cc(I)c1)N=[N+]=[N-]	615
+[N-]=[N+]=Nc1cc(N)cc(I)c1	78
+CC(C)(C)OC(=O)Nc1cc(N=[N+]=[N-])cc(Cl)c1	615
+CC(C)(C)OC(=O)Nc1cc(N)cc(c1)N2C(C(C)=CC2=O)=O	0
+CC(C)(C)OC(Nc1cc(C=O)cc(c1)C)=O	39
+C1CC2(CCN1c3c(c(cc(C#N)c3)N)Cl)C(=O)N(CC2)C	78
+C1CCN1C(=O)c2cccc(N)c2	78
+CC(C)(C)OC(=O)Nc1cccc(Nc2c(CO)cnc(SC)n2)c1	897
+CC(C)(C)OC(=O)Nc1cccc(Nc2c(C(=O)C)cnc(SC)n2)c1	4133
+CC(C)(C)OC(=O)Nc1cc(CCC(=O)N)ccn1	83
+CC(C)(C)OC(=O)Nc1cc(ccn1)CCc2cc(ccc2)Nc3nc(ncc3F)Cl	73
+Nc1cc(cnc1Cl)Nc2ncc(OC)cc2-c3nc(N)nc(C)n3	473
+OCc1cc(ncn1)N	451
+CC(C)(C)OC(=O)Nc1cc(no1)-c2cc(ccc2)-c3ccc(cc3)C(N4CCNCC4)=O	62
+Nc1ccc2CC3(c4ccccc4NC3=O)Cc2c1	78
+c1cc(ccc1C2=C(C(C)(C)Oc3c2ccc(N)c3)F)F	78
+CC(C)(C)OC(N(c1c(OC)cc2C34CCCCC3C(N(CC4)C(OCc5ccccc5)=O)Cc2c1)C)=O	2812
+C1COCCN1c2nc(Cl)nc3cc(N)sc23	2813
+c1(cc(ccc1)OC)-c2nc3n(ccc(N)c3)n2	78
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1N)=O	0
+c1ncc(-c2cc(Cl)c(N)cc2)nc1C	78
+CN(C)C(Nc1c(N)ccc(-c2cccs2)c1)=O	78
+CC(C)(C)OC(=O)Nc1c(cc(C#Cc2ccccc2)cc1)N	0
+CC(C)(C)OC(Nc1ccc(C(c2ccc(cc2)Cl)(O)C)cc1C)=O	7349
+C1CN(Cc2c1c(n[nH]2)C(=O)N)c3ccc(N)cn3	473
+CC(C)(C)OC(=O)Nc1ccc(OCc2ccccc2C(OC)=O)cc1NCc3ccc(cc3Cl)-c4ccccc4	608
+CC(C)(C)OC(=O)Nc1ccc(c(c1)Nc2cc(C)nn2-c3cc(NC)ncn3)C	781
+CC(C)(C)OC(Nc1cc(Nc2n(-c3ncnc(c3)NC)ncn2)c(cc1)C)=O	490
+CC(C)(C)OC(=O)Nc1ccc(c(Nc2nc(ncc2Cl)Nc3cc(C)ns3)c1)F	7350
+Nc1cc(c(F)cc1)Nc2nc(Nc3cc(C)ns3)ncc2Cl	78
+c1(C)ccc(N)cc1Nc2n(-c3cc(NC)ncn3)nc(C)c2	78
+CC(C)(C)OC(=O)Nc1c2ccccc2c(OCC#N)cc1	489
+CC(C)(C)OC(Nc1ccc(cc1)-c2c(F)c3c(c([nH]n3)N)cc2)=O	575
+c1cc(ccc1-c2nn3nc(nc3cc2)N)N	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2c3c([nH]n2)ncnc3Nc4cc(Cl)ccc4	7351
+c1cc(ccc1)S(=O)(=O)Cc2nc(-c3ccc(cc3)N)nc(N4CCOCC4C)c2	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2scc(n2)C(Nc3ccc(cc3)-c4scc(C(OCC)=O)n4)=O	2015
+c1cc(ccc1-n2c(CCC=C)c(nn2)C(=O)NC3CC3)NC(NCC)=O	7352
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2ccc(c(F)c2F)C#N	368
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2ccc3n(nc(n3)N)n2	7353
+c1cc(ccc1N)C(N2CC3(CC2CC(C)(C)C3)C)=O	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)N2CC3(CC2CC(C)(C)C3)C	30
+c1ccccc1CN2C(CC(c3ccc(cc3)N)(C)C2=O)=O	78
+c1cc(ccc1CCc2c(Cc3ccc(cc3)S(=O)(=O)C)sc(NC(=O)OCC)n2)N	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)CCc2nc(sc2Cc3ccc(cc3)S(=O)(=O)C)N	1176
+CC(C)(C)OC(=O)Nc1ccc(cc1)CCc2c(Cc3ccc(cc3)S(=O)(=O)C)sc(NC(=O)OCC)n2	810
+CC(C)(C)OC(N(C)c1ccc(cc1)I)=O	2812
+CC(C)(C)OC(=O)Nc1ccc(cc1)Nc2ncnc(c2)Cl	73
+CC(C)(C)OC(=O)Nc1cc(c(cc1)N2CCN(CC2)C)Cl	196
+c1cc(ccc1N)Nc2ncnc(-c3ccc(cc3)F)c2	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)Nc2ncnc(c2)-c3ccc(cc3)F	198
+CC(C)(C)OC(=O)Nc1ccc(cc1)Sc2c(Nc3c4c(cc(cc4)C(C)C)ncn3)cc(C(=O)OC)cc2	73
+CC(C)(C)OC(=O)Nc1ccc(cc1)Sc2ccc(C(=O)O)cc2Nc3c4c(cc(cc4)C(C)C)ncn3	1
+CC(C)(C)OC(=O)Nc1ccc(cc1)Sc2c(N)cc(cc2)C(OC)=O	0
+CC(C)(C)OC(Nc1ccc(cc1Br)C(c2ccc(cc2)Cl)=O)=O	705
+c1c(c(C#Cc2cc3c(cc2)N=C(c4cccc(C#N)c4)CC(N3)=O)ccc1)F	690
+c1cc(ccn1)-c2nn3c(ccnc3c2-c4cc(OC)c(cc4)N)C5CC6CCC(C5)N6CC	78
+CC(C)(C)OC(Nc1c(N)cc(-c2c(Cl)cccc2)cc1)=O	0
+CC(C)(C)OC(=O)Nc1c(N)cc(C#Cc2ccc(cc2)F)cc1	0
+CC(C)(C)OC(=O)Nc1c(cc(C#Cc2c(cccc2)F)cc1)N	0
+CC(C)(C)OC(=O)Nc1ccc(OCc2c(cccc2)C(OC)=O)cc1N	0
+CC(C)(C)OC(=O)Nc1ccc(cn1)-c2ccc(cc2)C(=O)O	1
+C1CN(CCO1)Cc2cnc(N)cc2	451
+CC(C)c1ccc(N)cn1	473
+CC(C)(C)OC(=O)Nc1ccc(nc1)C(F)F	7354
+FC(F)c1ccc(N)cn1	473
+CC(C)(C)OC(Nc1ccc(CCO)nc1)=O	44
+CC(C)(C)OC(N(C)c1ccc2c(n1)c(OC)ccc2Br)=O	4134
+c12ccc(N)cc1[nH]c3c(C(=O)N)cc(cc23)Br	78
+c1cc(ccc1)-c2c3cccnc3ccc2N	78
+C1COCCN1c2nn3cc(ccc3n2)N	473
+CC(C)(C)OC(=O)Nc1cc(Nc2nc(Cl)ncc2F)ccc1	73
+CC(C)(C)OC(=O)Nc1cccc(c1)Nc2nc(SC)ncc2C=O	1195
+CC(C)(C(OCC)=O)Oc1cccc(N)c1	78
+c1cc(ccc1OC)CNC(=O)C2=C(N(C(C=C2Oc3cccc(c3C)N)=O)C)Nc4c(cc(I)cc4)F	78
+CC(C)(C)OC(=O)Nc1cc(ccc1)Nc2nc(ncc2C(O)C)SC	4135
+CC(C)(C)OC(Nc1nc(ccc1)C#Cc2cc(N)ccc2)=O	3621
+CC(C)(C)OC(Nc1c2cc(OCC)ccc2ccc1)=O	116
+Nc1c2nc(ccc2c3ccccc3n1)C	7355
+c1ccccc1COc2ccc(cc2)N3C(=O)Nc4cccnc34	7356
+Nc1ccnc(Cl)c1C=O	78
+CC(C)(C)OC(=O)N(c1cn2c(cc1)cnc2C(c3cc(c([N+](=O)[O-])cc3)C(OC)=O)=O)C	7357
+CC(C)(C)OC(=O)Nc1ccc(N2Cc3c(CC2)c(C(=O)N)[nH]n3)nc1	314
+c1(c(c(Cl)ncc1N)F)I	473
+CC(C)(C)OC(Nc1c(I)cc(nc1)Cl)=O	916
+CC(C)(C)OC(=O)Nc1ccc2nc(cn2c1)-c3ccc(cc3)Br	440
+CC(C)(C)OC(N(C)c1c(nc(SC)nc1)Oc2ccccc2C)=O	4136
+CC(C)(C)OC(=O)Nc1snc(-c2cc3c(c[nH]c3cc2)I)n1	7358
+CC(C)(C)OC(Nc1cnc(CNC(=O)c2cn(Cc3cc4c(cc3)nc(cc4)C)nn2)c(C)n1)=O	312
+CC(C)(C)OC(Nc1nc(CCNc2ccc(cc2)[N+](=O)[O-])ccc1)=O	60
+CC(C)(C)OC(Nc1cccc(n1)CCN=[N+]=[N-])=O	254
+C1CCN(C1)Cc2nc(N)ccc2	451
+CC(C)(C)OC(=O)Nc1nc(COS(=O)(=O)C)ccc1	7
+CC(C)(C)OC(=O)Nc1nc2c(cc(cc2s1)C=O)-c3cc(ccc3)[N+](=O)[O-]	1295
+CC(C)(C)OC(=O)Nc1nc2c(cc(CO)cc2s1)-c3cccc([N+](=O)[O-])c3	41
+CC(C)(C)OC(Nc1ncc(cc1)C=2NC(ON=2)=O)=O	7359
+CC(C)(C)OC(=O)Nc1ncc(cc1)CO	351
+c1cc(ccc1Cl)S(=O)(=O)C(c2c(C)cnc(c2)N)c3cc(F)ccc3F	451
+CC(C)(C)OC(Nc1ncc(CCl)s1)=O	2814
+CC(C)(C)OC(Nc1ncc(cc1)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(Nc1ncc(cn1)-c2nc3c(c(N4CCOCC4)n2)cc(F)c(-c5cccc(S(=O)(=O)C)c5)c3)=O	2680
+CC(C)(C)OC(=O)Nc1nccc(CCO)c1	44
+c1cc(ccc1OC)C(Cc2ccnc(N)c2)=O	451
+CC(C)(C)OC(Nc1cc(CCOc2c3ccccc3c(cc2)[N+](=O)[O-])ccn1)=O	57
+CC(C)(C)[Si](C)(C)OCc1cc(NC(=O)OC(C)(C)C)ncc1	19
+CC(C)(C)OC(Nc1nccc(Cl)c1C=O)=O	1031
+c1ccccc1COC(=O)Nc2ccc(Oc3ccnc(N)c3)c(F)c2	451
+c1(c2c(ccn1)COC2)N	451
+CC(C)(C)OC(=O)Nc1ncnc2c1c(c(n2-c3cccc(N)c3)Cl)-c4ccc(cc4)Cl	0
+CC(C)(C)OC(N(c1ncsc1)S(=O)(=O)c2c(cc(c(F)c2)F)F)=O	7360
+CC(C)(C)OC(Nc1c(C(O)=O)c2ncc(cc2o1)CC)=O	6
+CC(C)(C)OC(=O)Nc1onc(c1)C(C)(C)CNC	110
+CC(C)(C)OC(=O)Nc1onc(C(C)(C)C=O)c1	24
+CC(C)(C)OC(Nc1onc(C(C)(C)CN(C)C(C)=O)c1)=O	58
+c1c(ccc(-c2cc(C(=O)OC)c(N)s2)c1F)F	2813
+C1COCCN1Cc2sc(N)nc2-c3occc3	1398
+CC(C)(C)OC(=O)Nc1sc(nc1C(Nc2cnn(C)c2C3CCC(CC3)O)=O)-c4c(F)cccc4F	100
+Fc1cccc(F)c1-c2sc(N)c(C(Nc3c(C4CCC(CC4)N)n(C)nc3)=O)n2	2808
+CC(C)(C)OC(=O)Nc1sc(nc1C(Nc2cnn(C)c2C3CCC(CC3)N)=O)-c4c(F)cccc4F	18
+CC(C)(C)OC(=O)Nc1sc(nc1C(Nc2cnn(C)c2C3CCC(CC3)N=[N+]=[N-])=O)-c4c(F)cccc4F	2135
+CC(C)(C)OC(Nc1c(C(=O)O)nc(s1)-c2ccccc2)=O	6
+CC(C)(C)OC(=O)Nc1nc2c(s1)cc(Cn3ccnc3)cc2-c4cccc([N+](=O)[O-])c4	371
+CC(C)(C)OC(=O)Nc1sc2ccc(nc2c1C(O)=O)-c3ccccc3	6
+CC(C)(C)OC(=O)Nc1sc2c(nc(cc2)-c3ccccc3)c1C(=O)OCC	691
+c1cc(ccc1F)OCCc2csc(N)n2	1398
+CC(C)(C)OC(Nc1nc(CN(C)C(c2nccnc2C)=O)cs1)=O	777
+CC(C)(C)OC(=O)Nc1snc(n1)-c2cc3c(cn(S(=O)(=O)c4ccc(cc4)C)c3cc2)I	367
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(-c4nc(N)sn4)ccc23)-c5cccc(OC(C)C)n5)C	1398
+CC(C)(C)OC(=O)Nc1snc(-c2cc3c(cn(S(=O)(=O)c4ccc(cc4)C)c3cc2)-c5cccc(OC(C)C)n5)n1	7361
+CC(C)(C)OC(N(Cc1ccc2ccccc2c1)n3cccc3)=O	7362
+c1ccccc1C(c2ccccc2)N3CC(C3CC)NC(OC(C)(C)C)=O	3629
+CC(C)(C)OC(=O)N1CCC(CC1)CN(C2C(C2)c3ccc(cc3)Br)C(OC(C)(C)C)=O	23
+CC(C)(C)OC(=O)NCCN(C1CCC(CC1)(O)CC(OCc2ccccc2)=O)C(OC(C)(C)C)=O	23
+CC(C)(C)OC(N(C1CCN(CC1)C(OCc2ccccc2)=O)CCNC(OC(C)(C)C)=O)=O	23
+CC(C)(C)[Si](C)(C)OC1CCCC2C1NCCN2C(OC(C)(C)C)=O	23
+CC(C)(C)OC(=O)NCCCC(C)(C)CO	37
+CC(C)(C)OC(NCC(C)(C)CC(=O)O)=O	37
+CC(C)(C)OC(NC(C)(C)Cc1c2c([nH]c1)c(ccc2)OCc3ccccc3)=O	37
+CC(C)(C)OC(NC(C)(C)Cc1cc(Br)ccc1)=O	37
+CC(C)(C)OC(NC(C)(C)C(O)=O)=O	403
+CC(C)(C)OC(=O)NCC(C)(C)N	37
+CC(C)(C)OC(NC(C)(C)CO)=O	37
+CC(C)(C)OC(=O)NC(CO)C(C)(C)c1ccccc1	37
+CC(C)(C)OC(NC(C(=O)OCC)CC(Cc1cc2c(cccc2OCCOC)cc1)C(C)C)=O	403
+CC(C)(C)OC(N(CCO)CC(C(C)C)O)=O	23
+CC(C)(C)OC(NC(CO)C(C)C)=O	37
+CC(C)(C)OC(=O)NNc1cc(ccc1Cl)CNC(C(C)C)=O	1609
+CC(C)(C)OC(=O)n1cc(c2c1c(C(=O)OCC)cc(Br)c2)C3CC(C(C)C)SCC3	389
+CC(C)(C)OC(CC(C(OC)=O)CC(C)C)=O	3541
+CC(C)(C)OC(NC(CO)CC(C)C)=O	37
+CC(C)(C)OC(=O)NC(CC(C)C)C(C=C(CCOC1CCCCO1)C(=O)OCC)O	37
+CC(C)(C)OC(NCCC(C)C)=O	37
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(=O)c2c(cc(cc2)-c3sc(c(C)n3)C(OCC)=O)C=1OCCCC	4137
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2c(C=1c3ccccc3F)cc(cc2)OCc4ccccc4)=O	2507
+CC(C)(C)OC(=O)N(C(C)C)CCc1cc(O)ccc1	23
+CC(C)(C)OC(=O)N(Cc1c([N+](=O)[O-])cccc1)C(C)C	23
+CC(C)(C)OC(N(C)Cc1cc([N+](=O)[O-])cc(F)c1SC(C)C)=O	2136
+CC(C)(C)OC(=O)n1c(c(cc1C(=O)OC)Br)C(C)C	1552
+CC(C)(C)OC(Nc1ccc(OCc2n(ncc2C(C)C)-c3c(Cl)cccc3Cl)cc1C)=O	150
+CC(C)(C)OC(NCCc1c([N+](=O)[O-])cc(cc1)C(C)C)=O	37
+CC(C)(C)OC(=O)NC1C(C)(C)C(C(O)=O)C1	7363
+CC(C)(C)OC(=O)NC(CN1C(C)(C)CN(C(C1)=O)c2c(C)cccc2)C3CC(CC)C(=O)O3	4138
+CC(C)(C)OC(=O)N1CC(C)(C)c2cnc(Cl)cc12	603
+CC(C)(C)OC(=O)NC(C1CC(C(O1)=O)C)CN2C(C)(C)CN(C(=O)C2)c3cc(F)ccc3Cl	4138
+CC(C)(C)OC(NC(CN1CC(N(c2c(C)cccc2)CC1(C)C)=O)C3CC(C(O3)=O)C)=O	37
+CC(C)(C)OC(N1CC(C)(C)N(CC1C(C)C)Cc2ccccc2)=O	23
+CC(C)(C)OC(=O)N1c2c(C(C)(C)CC1=O)cc(F)cc2	7364
+CC(C)(C)OC(N1c2cc([N+](=O)[O-])ccc2C(C)(C)CC1)=O	603
+CC(C)(C)OC(=O)NC(CC)(CC)C(=O)O	403
+CC(C)(C)OC(NC(CC)CO)=O	37
+CC(C)(C)OC(=O)n1c(c(cc1)C(=O)N(CC)CC)C	1552
+CC(C)(C)OC(NCc1c(O)nc(cc1NCC)C)=O	2751
+CC(C)(C)OC(Nc1nc(C(OCC)=O)cs1)=O	2815
+CC(C)(C)OC(NC1CCOCC1C(OCC)=O)=O	37
+CC(C)(C)OC(=O)n1ncc(c1)C(=O)OCC	1687
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2n[nH]c(N=CN(C)C)c2C#N	150
+CC(C)(C)OC(N(CCCCN(C)C)CCC#N)=O	23
+CC(C)(C)OC(=O)Nc1ccc(c(c1)CN(C)C)Br	150
+CC(C)(C)OC(=O)N(C)Cc1nc2c(cccc2Br)cc1	23
+CC(C)(C)OC(N1CC(CC1C(OC)=O)OC)=O	663
+CC(C)(C)OC(n1c2c(c(OC)ccc2)c(N)n1)=O	868
+CC(C)(C)OC(N1C(C(OC)=O)CN(CC1)C(c2cc(OC)c(c(OC)c2)OC)=O)=O	663
+CC(C)(C)OC(N1CC(C(OC)=O)c2cc(ccc2C1)OC)=O	23
+CC(C)(C)OC(=O)NC(c1cccc(OC)c1)C	37
+CC(C)(C)OC(NC(C[Si](C)(C)C)C(=O)O)=O	403
+CC(C)(C)OC(=O)N1C(C(C1=O)O[Si](C)(C)C)c2ccccc2	7365
+CC(C)(C)OC(=O)NC(c1c(c(C)ccc1)C)CC#C	37
+CC(C)(C)OC(=O)n1ccc2c1c(ccc2)C	389
+CC(C)(C)OC(Nc1ccc(c(-c2ccc(cc2C)C(=O)CC)c1)C)=O	150
+CC(C)(C)OC(=O)NCC(c1c(C)cccc1C)CO	37
+CC(C)(C)OC(Nc1c(-c2c(C)cccc2)ccnc1)=O	970
+CC(C)(C)OC(Nc1c(-c2c(cccc2)C)ncnc1)=O	7366
+CC(C)(C)OC(=O)n1nc(c2ccc(cc12)[N+]([O-])=O)C	868
+CC(C)(C)OC(=O)Nc1cc(c(c(C)n1)C#N)C	718
+CC(C)(C)OC(=O)NCc1ccc(N)nc1C	37
+CC(C)(C)OC(NC(CC(=O)O)c1cccc(Cl)c1Cl)=O	37
+CC(C)(C)OC(N1CCc2c(cc3c(NC(=O)CC3)c2Cl)CC1)=O	23
+CC(C)(C)OC(=O)NCC1Oc2c(Cl)cccc2C1	37
+CC(C)(C)OC(N1Cc2c(C1)c(Cl)sc2Cl)=O	23
+CC(C)(C)OC(=O)N(CC(O)COc1cc(Br)cc(Cl)c1)C	23
+CC(C)(C)OC(Nc1c(ccc(Cl)c1)C=CC(=O)OC)=O	150
+CC(C)(C)OC(Nc1c(cc(Cl)c(Cl)c1)[N+](=O)[O-])=O	150
+CC(C)(C)OC(=O)c1cc(Cl)nc(c1)Cl	1075
+CC(C)(C)OC(=O)NCCc1cncc(c1)Cl	37
+CC(C)(C)OC(=O)n1c2c(C)cc(cc2cc1C(OCC)=O)Cl	389
+CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O	37
+CC(C)(C)OC(=O)n1c(C(=O)OC)c(c2ccc(Cl)cc12)NCC(c3ccc(c(c3)F)F)=O	389
+CC(C)(C)OC(=O)N1c2c(C(=Cc3c(OC)cc(F)c(Cl)c3)C1=O)ccc(Cl)c2	1881
+CC(C)(C)OC(=O)N(CCc1ccc2c(NC(=O)C(C)O2)c1)Cc3cc(ccc3)Cl	23
+CC(C)(C)OC(N1CCc2c(CC1)c(O)c(cc2)Cl)=O	4139
+FC(F)(F)C(=O)NCC1CCC(C)(C)CN1C(OC(C)(C)C)=O	1365
+CC(C)(C)OC(=O)N1CC2c3c(cc(C(C)=O)cc3)C(C2)C1	4139
+FC(F)(F)C(NCCN(C1CN(CC1)c2c3nc(ccc3ncc2)OC)C(OC(C)(C)C)=O)=O	23
+FC(F)(F)c1c(OCC)cc(NC(=O)OC(C)(C)C)c([N+]([O-])=O)c1	150
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(cc1)C(F)(F)F)=O	150
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(C)c3cc(Cl)c(cc3)CNC(OC(C)(C)C)=O	1400
+FC(F)(F)c1c(F)cc(C(CN(C(OC(C)(C)C)=O)C)O)cc1	23
+CC(C)(C)OC(=O)NC(C)c1ccc(C(F)(F)F)nc1	37
+CC(C)(C)OC(=O)NC=1COCC(C(F)F)(N=1)c2cc([N+](=O)[O-])cc(F)c2F	2137
+CC(C)(C)OC(NC(COC(F)F)C(O)=O)=O	403
+CC(C)(C)OC(=O)Nc1cc(c2c([nH]c(n2)C(F)F)c1)OC	7367
+CC(C)(C)OC(N1CC(F)(F)C(O)CC1)=O	23
+CC(C)(C)OC(NC(c1cc(c(cc1)F)F)CC(O)=O)=O	37
+CC(C)(C)OC(=O)N(CCO)Cc1c(cccc1)F	23
+CC(C)(C)OC(N1C2C(COC2)n3c(c(c(n3)I)C(=O)OCC)C1)=O	23
+CC(C)(C)OC(=O)n1cc(I)c2c1c(ccn2)Cl	4140
+CC(C)(C)OC(=O)N1CC(n2c3c(c(N)ncn3)c(I)n2)CC1	23
+CC(C)(C)OC(=O)N1CCOCC(n2c3ncnc(N)c3c(I)n2)C1	23
+CC(C)(C)OC(n1nc(C)c(C#N)c1)=O	1687
+CC(C)(C)OC(=O)N(C)Cc1cc([nH]c1)-c2ccccc2F	23
+CC(C)(C)OC(N1Cc2cccc3C(CCN(C(C1)C)c23)CO)=O	23
+CC(C)(C)OC(=O)N1CC(NCCC1)=O	1568
+CC(C)(C)OC(N1C(CN(C(C)C1)CCCCl)C)=O	23
+CC(C)(C)OC(N1Cc2c3c([nH]c2CC1)c(C)ccc3F)=O	23
+CC(C)(C)OC(N1CCc2ccc(O)cc2C1)=O	23
+CC(C)(C)OC(N1Cc2c(nc(Cl)cc2)CC1)=O	23
+CC(C)(C)OC(N1Cc2cc(-c3cc(F)ccc3)nn2CC1)=O	23
+CC(C)(C)OC(N1NC(=O)c2cccc(F)c12)=O	7368
+CC(C)(C)OC(NC)=O	37
+CC(C)(C)OC(NC(CCC(=O)OC)C(=O)O)=O	403
+CC(C)(C)OC(=O)NC(C(O)=O)Cc1cnc(cc1)Br	403
+CC(C)(C)OC(NC1Cc2c(ccc(O)c2)CC1)=O	37
+CC(C)(C)OC(Nc1c(C)ccc(c1)C(O)C)=O	150
+CC(C)(C)OC(Nc1c(ccc(c1)O)C)=O	150
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(c(c1)Cl)C)=O	150
+CC(C)(C)OC(=O)Nc1cc(F)c(C#N)cc1[N+]([O-])=O	150
+CC(C)(C)OC(=O)Nc1cccc2ccc(O)cc12	150
+CC(C)(C)OC(=O)Nc1cc(cc(c1)C)CO	150
+CC(C)(C)OC(=O)Nc1cc(O)c(cc1)C	150
+CC(C)(C)OC(NCCc1c(cc(N)cc1)F)=O	37
+CC(C)(C)OC(=O)N=C1NC(c2c(F)ccc(N)c2)(C)Cn3c(C#N)c(Cl)nc13	2816
+CC(C)(C)OC(Nc1c(C(O)=O)c(ccc1)C)=O	150
+CC(C)(C)OC(=O)Nc1c(C)c(ccc1)F	150
+CC(C)(C)OC(=O)Nc1c(c(ccc1)OC)[N+](=O)[O-]	150
+CC(C)(C)OC(=O)Nc1ccnc(O)n1	718
+CC(C)(C)OC(Nc1cnc(C#N)c(n1)C)=O	7369
+CC(C)(C)OC(Nc1cc(Cl)nc2ccnn12)=O	718
+CC(C)(C)OC(n1nc(N)cc1)=O	1687
+CC(C)(C)OC(=O)Nc1[nH]c2c(c(C)c([N+]([O-])=O)c(C)c2)n1	4141
+CC(C)(C)OC(=O)Nc1cc(Br)ccn1	718
+CC(C)(C)OC(=O)Nc1nccc(CO)c1	718
+CC(C)(C)OC(=O)Nc1nnc(-c2ccc3cnc(F)cc3c2)s1	2815
+CC(C)(C)OC(=O)Nc1nc2c(cc(cc2s1)C#N)-c3cc(ccc3)[N+](=O)[O-]	2815
+CC(C)(C)OC(N(CCC(=O)OCC)C(CC(OCC)=O)C)=O	23
+CC(C)(C)OC(=O)NC(Cc1cccc(c1)O)C(OCC)=O	403
+CC(C)(C)OC(NC(C(O)=O)CC(C)CCOCC=C)=O	403
+CC(C)(C)OC(Nc1c(nccc1)OC)=O	970
+CC(C)(C)OC(=O)NCC(C)C(O)=O	37
+CC(C)(C)OC(NOCC(=O)OC)=O	4142
+CC(C)(C)OC(=O)NC(c1cccc(c1)F)CC(O)=O	37
+CC(C)(C)OC(NC(C(=O)OC)(CF)Cc1cccc(c1)O)=O	403
+CC(C)(C)OC(=O)c1cc(Cl)c(F)cc1Cl	1075
+CC(C)(C)OC(NC(Cc1cc(F)cc(F)c1)c2c(Br)cc(cn2)N3C(=O)c4ccccc4C3=O)=O	37
+CC(C)(C)OC(=O)Oc1c(c(C=O)c(cc1)F)F	4143
+CC(C)(C)OC(n1c2cnc(-n3ncnc3)cc2c(C=O)c1)=O	7370
+CC(C)(C)OC(n1c2cccc(C=O)c2cc1)=O	389
+CC(C)(C)OC(=O)N(c1ccc(cn1)C=O)Cc2ccncc2Cl	1157
+CC(C)(C)OC(Oc1ccccc1C=O)=O	4143
+CC(C)(C)OC(=O)NCCCCS(=O)(=O)NC	37
+CC(C)(C)OC(=O)n1c2c(c(c1)CC(NS(=O)(=O)c3c(C)cc(cc3C)C)C)cccc2	389
+CC(C)(C)OC(NCC(O)CNS(=O)(=O)c1c(Cl)cc(cc1)Cl)=O	37
+CC(C)(C)OC(=O)N(c1ccc(cc1)S(=O)(=O)C)C2CCNC2	603
+CC(C)(C)OC(=O)N=C(c1cc(c(s1)SC)S(=O)(=O)c2cccc(Br)c2)N	7371
+CC(C)(C)OC(=O)N(Cc1cn(S(=O)(=O)c2cnccc2)c3c1ccc(C(OC)=O)c3)C	23
+CC(C)(C)OC(=O)N(Cc1cn(c2cc(Br)ncc12)S(=O)(=O)c3cc(F)ccc3)C	23
+CC(C)(C)OC(N1Cc2c3ccn(c3ccc2OCC1)S(=O)(=O)c4ccccc4)=O	23
+CC(C)(C)OC(NCc1n(S(=O)(=O)CC)ccc1)=O	3835
+CC(C)(C)OC(=O)N1CC2c3c(C(C1)C2)cc(c([N+](=O)[O-])c3)[N+](=O)[O-]	23
+CC(C)(C)OC(NCC(O)C)=O	37
+CC(C)(C)OC(NCCCC(O)C(=O)O)=O	37
+CC(C)(C)OC(NCC(O)COCC)=O	37
+CC(C)(C)OC(=O)N(C)C=1SC2C(C(C(C(CO)O2)O)O)N=1	7372
+CC(C)(C)OC(=O)NC(c1cc(Cl)c(cc1)Cl)CCO	37
+CC(C)(C)OC(=O)N(Cc1ccccc1OC)CCc2c(cc([N+](=O)[O-])c(c2)OC)OC	23
+CC(C)(C)OC(=O)NCc1c(Br)c(C)cc(c1)[N+]([O-])=O	37
+CC(C)(C)OC(NC1C(O)CCC(C(OCC)=O)C1)=O	1401
+CC(C)(C)OC(=O)NC1CC(OC)C(CC1)C(=O)OC	1401
+CC(C)(C)OC(NC1CC=2C(CC1)(C3CCC4(C(C#C)CCC4C3CC=2)C)C)=O	1401
+CC(C)(C)OC(n1c2c(cnc(c2)Br)c(Cl)c1-c3ocnc3)=O	389
+CC(C)(C)OC(N1Cc2cccc3[nH]cc(c23)CC1)=O	23
+CC(C)(C)OC(n1nc(C)cc1)=O	1687
+CC(C)(C)OC(=O)c1cnc(Cl)c(c1)Cl	1075
+CC(C)(C)OC(=O)NC(c1cccc(c1)[N+](=O)[O-])C	37
+CC(C)(C)OC(NCc1c(nc(C)cc1C)OC)=O	37
+CC(C)(C)OC(Nc1cc(C)c(c(c1)C)-c2csc(N)n2)=O	150
+CC(C)(C)OC(N(c1ccc(cc1)C#N)c2nc(c([N+]([O-])=O)c(C=CN(C)C)n2)Oc3c(C)cc(cc3C)Br)=O	7373
+CC(C)(C)OC(=O)N=C1NC2(c3cc(ccc3F)[N+](=O)[O-])CC2CCS1	2720
+CC(C)(C)OC(=O)NCc1sc(C)nn1	37
+CC(C)(C)OC(NCc1c(Cl)c(c(Cl)c(F)c1)N)=O	37
+CC(C)(C)OC(NC(Cc1cc(Cl)c(cc1)O)C(=O)OC)=O	403
+CC(C)(C)OC(Nc1cc(Cl)c(c(Cl)c1)O)=O	150
+CC(C)(C)OC(N1c2cc(Cl)ccc2C(=Cc3cc(ccc3OCC(OC)=O)Cl)C1=O)=O	1881
+CC(C)(C)OC(NC=1SCC2COc3c(cc(c(F)c3)Br)C2(C)N=1)=O	2137
+CC(C)(C)OC(=O)N(CCO)CC(c1cc(F)c(Br)cc1)O	23
+CC(C)(C)OC(Nc1sc(c(c1C#N)C)C(=O)OC)=O	2408
+CC(C)(C)OC(=O)Nc1cc(C)c(c(C)c1C)O	150
+CC(C)(C)OC(Nc1c(C(=O)OC)ccs1)=O	2408
+CC(C)(C)OC(Nc1cccnc1)=O	970
+CC(C)(C)OC(Nc1cc(Cl)ncc1)=O	150
+CC(C)(C)OC(=O)Nc1cnc(cc1)Cl	970
+CC(C)(C)OC(=O)Nc1cnc(cc1)N	970
+CC(C)(C)OC(Nc1cc(OC)cc(c1)OC)=O	150
+CC(C)(C)OC(N(c1cc([N+]([O-])=O)ccc1O)C)=O	603
+CC(C)(C)OC(=O)NC(c1cc([N+](=O)[O-])ccc1)C(OC)=O	403
+CC(C)(C)OC(Nc1ccc(c([N+]([O-])=O)c1)F)=O	150
+CC(C)(C)OC(=O)Nc1c(cc(C(OCC)=O)nc1I)C	970
+CC(C)(C)OC(Nc1c(cc(cc1)OCC)C)=O	150
+CC(C)(C)OC(=O)Nc1ccc(I)cc1C	150
+CC(C)(C)OC(N(C)c1cc(C)c(O)c(C)c1C)=O	603
+CC(C)(C)OC(=O)NC(=N)c1c(cc(O)cn1)O	2137
+CC(C)(C)OC(N1Cc2c(cccc2C1)C#N)=O	23
+CC(C)(C)OC(Nc1cc(c(c2ccccc12)CCOC(=O)C)[N+](=O)[O-])=O	150
+CC(C)(C)OC(n1c2cccc(c2c(C=O)c1)O)=O	389
+CC(C)(C)OC(=O)n1cc(c2nccc(C)c12)I	4140
+CC(C)(C)OC(=O)N(C1CCC(=CC1)c2c3c([nH]c2)ccc([N+](=O)[O-])c3)C	23
+CC(C)(C)OC(=O)N(C1CC=C(CC1)c2c3c([nH]c2)ccc([N+](=O)[O-])c3)CC	23
+CC(C)(C)OC(n1ccc2c(c(C)ccc12)Cl)=O	389
+CC(C)(C)OC(NC(CCO)(C)c1c(F)cc(F)c(c1)Br)=O	37
+CC(C)(C)OC(=O)N(c1ccc(c(F)n1)Br)Cc2cnc(OC)c(F)c2	1157
+CC(C)(C)OC(=O)NC(C(C)O)c1cc(F)c(F)cc1	37
+CC(C)(C)OC(=O)NCc1cc(F)c(cc1F)C#N	37
+CC(C)(C)OC(N(CC(O)c1c(cc(cc1)[N+](=O)[O-])Br)CCO)=O	23
+CC(C)(C)OC(N(Cc1cc(ccc1Oc2cc(Cl)c(cc2)Cl)Br)C)=O	23
+CC(C)(C)OC(NCc1cc(F)c(c(F)c1)Oc2cc(cc(C(OCC)=O)c2)O)=O	1400
+CC(C)(C)OC(=O)Nc1cc(cc(N)c1)Cl	150
+CC(C)(C)OC(NC(C)(c1cccc(Br)c1)CO)=O	37
+CC(C)(C)OC(N(C(CC(=O)OCC)c1cccc(O)c1)C)=O	23
+CC(C)(C)OC(N(C(=O)c1sccc1Br)c2c(c(c(OC)cc2)F)F)=O	7374
+CC(C)(C)OC(=O)N(C1c2c(ccc(c2)I)C(CC1)c3ccc(c(Cl)c3)Cl)C	23
+CC(C)(C)OC(=O)NC(CC=C)c1cccc(-c2c([N+](=O)[O-])cnn2C)n1	37
+CC(C)(C)OC(=O)NCCc1cccc(Br)c1	37
+CC(C)(C)OC(=O)N1CCOC(C1)Cc2cccc(c2)Br	23
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+]([O-])=O)OCc2c(cccc2)C(OC)=O	150
+CC(C)(C)OC(NC(CC(OC)=O)c1ccccc1Cl)=O	37
+CC(C)(C)OC(N(C)C(CO)Cc1sccc1)=O	23
+CC(C)(C)OC(=O)Nc1c2n(nc1CC)c(ccc2)Br	7375
+CC(C)(C)OC(=O)N1CCC(CC1)(c2ccc(cc2)Br)CBr	4137
+CC(C)(C)OC(N1CCc2ccc(Cl)c3NCC(c23)C1)=O	23
+CC(C)(C)OC(=O)n1c2cc(Br)cc(N)c2nc1	1399
+CC(C)(C)OC(NCc1nc(OC)c(C#N)c(c1)C)=O	7376
+CC(C)(C)OC(=O)NC1c2ccccc2C(O)CC1	37
+CC(C)(C)OC(Nc1c(Br)c2c(cc1)nccc2)=O	150
+CC(C)(C)OC(=O)n1nc2c(c(nc3cc4ccccc4cc23)O)c1C	7377
+CC(C)(C)OC(=O)N1CCCN(c2n(c3ccccc3n2)CCO)CC1	23
+CC(C)(C)OC(n1cnc2c(c(ccc12)[N+](=O)[O-])C)=O	1399
+CC(C)(C)OC(=O)N1Cc2cc(c(Cl)cc2C1)I	23
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)Oc3nc(ncc3)Cl	389
+CC(C)(C)OC(N1Cc2n(c3nc(Br)ccc3c2)C(C1)C)=O	23
+CC(C)(C)OC(=O)n1ccc2cc(C#N)ccc12	389
+CC(C)(C)OC(=O)n1ncc2c1cc([N+](=O)[O-])cc2	868
+CC(C)(C)OC(n1c2c(ccc(SC)c2)cc1C)=O	389
+CC(C)(C)OC(n1c2c(nc1)c(CO)ccc2)=O	1399
+CC(C)(C)OC(NC1c2c(cccc2)CC1O)=O	37
+CC(C)(C)OC(N1CC(c2c3cccc4CCCn(c2)c34)C(c5c[nH]c6c5cccc6)C1)=O	23
+CC(C)(C)OC(=O)Nc1ccc(c2ccccc12)O	150
+CC(C)(C)OC(NCC1C(c2c3c(nn(C)c3)ccc2)C1)=O	37
+CC(C)(C)OC(=O)Nc1cc(cc(Br)c1Cl)C#N	150
+CC(C)(C)OC(NC1Cc2c(cc(cc2)Br)CC1)=O	37
+CC(C)(C)OC(=O)NCc1c2c(OC)cc(cc2c(C(OCC)=O)cn1)OC	37
+CC(C)(C)OC(n1c(nc2ccc(cc12)C=O)-c3c(C)cccc3C)=O	1399
+CC(C)(C)OC(NCc1cccc2c1n(CC(=O)O)cc2)=O	37
+CC(C)(C)OC(=O)N(C)Cc1cc(Oc2c(c3cc([nH]c3cc2)C)F)ncn1	23
+CC(C)(C)OC(=O)N1C(c2cc(F)cc(F)c2)COCC1=O	3877
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(cc1)I)=O	150
+CC(C)(C)OC(=O)Nc1cc(C(O)=O)ccc1	150
+CC(C)(C)OC(Nc1cccc(C#C)c1)=O	150
+CC(C)(C)OC(=O)Nc1cccc(OCOC)c1	150
+CC(C)(C)OC(=O)N(C)c1cc(ncn1)Cl	1157
+CC(C)(C)OC(=O)NNc1ccc(C)c(c1)Cl	1609
+CC(C)(C)OC(Nc1cc(OC)c(c(c1)OC)C)=O	150
+CC(C)(C)OC(n1c(-c2c(ccc(c2)Br)F)nc3c1ccc(OC)c3)=O	1399
+CC(C)(C)OC(n1c(cc(n1)-c2cnc(OC)cc2)N)=O	1687
+CC(C)(C)OC(n1cc2c3c1C(=O)N(C)C=C3c4cc(cc(F)c4NC2)F)=O	1552
+CC(C)(C)OC(NNc1ccc(cc1Cl)F)=O	1609
+CC(C)(C)OC(N(Cc1cc(ccc1)O)CCc2cccc(Cl)c2)=O	23
+CC(C)(C)OC(N=C1SCC2C(COC2C)(c3c(F)ccc(c3)Br)N1)=O	2720
+CC(C)(C)OC(=O)N(Cc1cc(ccc1I)Br)CC	23
+CC(C)(C)OC(Nc1ccc(cc1[N+](=O)[O-])Br)=O	150
+CC(C)(C)OC(=O)N1CCc2c([nH]c3cc(Br)ccc23)C1	23
+CC(C)(C)OC(n1c2c(ccc(c2)Br)c(CC(OCC)=O)c1)=O	389
+CC(C)(C)OC(N=C1CC(=Cc2c(cc(Br)cc2)N1)C(OCC)=O)=O	2816
+CC(C)(C)OC(N1CCc2c3cc(ccc3[nH]c2C1)Br)=O	23
+CC(C)(C)OC(N(C1CC(N(Cc2ccccc2)C1)C(=O)OC)Cc3c(F)cc(cc3)F)=O	2136
+CC(C)(C)OC(NC(Cc1ccc(c(c1)OC)O)C(=O)O)=O	403
+CC(C)(C)OC(NC(c1ncc(F)cc1F)C)=O	37
+CC(C)(C)OC(N(C)C1CCC(c2ccc(c(Cl)c2)Cl)c3ccc(C(=O)OC)cc13)=O	23
+CC(C)(C)OC(N1C(Cc2c(cc(O)cc2)C1)C(O)=O)=O	663
+CC(C)(C)OC(=O)NC1C(=O)Nc2ccccc2CC1	1245
+CC(C)(C)OC(N1CCc2c(cc(cc2)C(=O)OC)C1)=O	23
+CC(C)(C)OC(n1c2cccc([N+](=O)[O-])c2c(n1)Cl)=O	868
+CC(C)(C)OC(=O)N1c2ccccc2CCC1	603
+CC(C)(C)OC(N1CCCC1c2cc3ccc(F)cc3nc2Cl)=O	23
+CC(C)(C)OC(NCCc1ccc(Br)cn1)=O	37
+CC(C)(C)OC(=O)N1Cc2c(C1)ccc(Cl)n2	23
+CC(C)(C)OC(Nc1ccc2c(c1)cc(OC)cc2)=O	150
+CC(C)(C)OC(n1c(ccc1C(OCC)=O)Br)=O	1552
+CC(C)(C)OC(N1CC(C(c2ccc(c(c2)Cl)Cl)C1)C(OC)=O)=O	23
+CC(C)(C)OC(c1ccc(cc1[N+](=O)[O-])C(OC)=O)=O	1075
+CC(C)(C)OC(=O)NC(C)c1cc2c(n1-c3cccc(F)c3)cccc2	37
+CC(C)(C)OC(NCc1c(c2c(nc1CC(C)C)ccc(Br)c2)-c3ccccc3)=O	37
+CC(C)(C)OC(N(Cc1cn(S(=O)(=O)c2cccc(c2)C(=O)OC)c(-c3ccccc3)c1)C)=O	23
+CC(C)(C)OC(=O)N(C(C)C(F)c1ccccc1)Cc2cc([N+]([O-])=O)ccc2	23
+CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C	23
+CC(C)(C)OC(=O)NCCC(O)c1ccccc1	37
+CC(C)(C)OC(=O)N1C2CC(CC1CC2)(c3ccccc3)C(O)=O	23
+CC(C)(C)OC(=O)NC1C(Oc2ccccc2NC1=O)c3ccccc3	1245
+CC(C)(C)OC(=O)NCC(O)Cc1ccccc1	37
+CC(C)(C)OC(N1CC(C(=O)OCC)(F)C(Cc2ccccc2)C1)=O	1365
+CC(C)(C)OC(=O)N1CC2C(C1CO)CC(C)C2	1365
+CC(C)(C)OC(=O)N1C(C)(C)CN(C2(CCCC2)C1)Cc3ccccc3	23
+CC(C)(C)OC(=O)N1CCC2N(Cc3ccccc3)C(CCC2)C1	23
+CC(C)(C)OC(=O)NCC1CCN(Cc2ccccc2)C1	37
+CC(C)(C)OC(N(C1CN(CC1)Cc2ccccc2)c3ncc(C=CC(=O)OCC)cc3)=O	1157
+CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1CCO	23
+CC(C)(C)OC(=O)N1C(=O)CN(Cc2ccccc2)C(=O)C1CCCC	7378
+CC(C)(C)OC(=O)NCC1(CN(CC1)Cc2ccccc2)O	37
+CC(C)(C)OC(N1CCCC2CN(Cc3ccccc3)CC12)=O	23
+CC(C)(C)OC(=O)N1CCC(CC1)(c2cc(nc(Cl)n2)N3CCOCC3C)S(=O)(=O)C4CC4	1365
+CC(C)(C)OC(NC1CN(Cc2ccccc2)CCCC1)=O	37
+CC(C)(C)OC(=O)N(CCN1C=2C(C(N=C(N=2)O)=O)=Nc3cc(c(cc13)Cl)C)Cc4ccccc4	23
+CC(C)(C)OC(=O)NC1C(F)CN(C(=O)OCc2ccccc2)C1	37
+CC(C)(C)OC(NC1CCCCN(C1)C(=O)OCc2ccccc2)=O	37
+CC(C)(C)OC(=O)NCC1CN(C(OCc2ccccc2)=O)CC1=NOC	37
+CC(C)(C)OC(N(C1CCCC(C1O)NC(OCc2ccccc2)=O)C)=O	23
+CC(C)(C)OC(=O)Nc1c(N2C(CC(COCc3ccccc3)C2)=O)nn(C)c1	7379
+CC(C)(C)OC(NCC(C)OCCOCc1ccccc1)=O	1401
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(-c3ccc(cc3)OC)c(-c4ccc(cc4)OC)[nH]2	23
+CC(C)(C)OC(=O)n1c2c(cc(-c3ccc(cc3)C#N)cc2)cc1	389
+CC(C)(C)OC(=O)Nc1ccc(cn1)-c2ccc(cc2)C(OC)=O	718
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2csc(n2)N	37
+CC(C)(C)OC(=O)NCc1ccc(cc1)-c2csc(n2)N	1400
+CC(C)(C)OC(NCc1c2c(ccc1)c(O)nc(-c3ccc(cc3)CN4CCN(CC4)C)c2)=O	1400
+CC(C)(C)OC(Nc1c2c(nn(-c3ccc(cc3)[N+]([O-])=O)c2ncn1)I)=O	718
+CC(C)(C)OC(=O)N1CC2CC2(c3ccc(cc3)Br)C1	23
+CC(C)(C)OC(=O)N(CC(c1cccnc1)O)CCCc2ccc(cc2)Br	23
+CC(C)(C)OC(=O)N(CC(O)c1cccnc1)CCc2ccc(cc2)Br	23
+CC(C)(C)OC(=O)NCc1ccc(cc1)N2C(=O)OC(C(=O)O)C2	1400
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)C#N)=O	23
+CC(C)(C)OC(N(c1cc(C)c(cc1)Br)c2ccc(cc2)C#N)=O	7380
+CC(C)(C)OC(=O)NCCc1ccc(cc1)C(=O)O	37
+CC(C)(C)OC(NCC(C)(C)c1ccc(cc1)[N+](=O)[O-])=O	37
+CC(C)(C)OC(N(C)CC(CC=C)c1ccc(cc1)F)=O	23
+CC(C)(C)OC(=O)NCc1ccc(cc1)C(OC)=O	37
+CC(C)(C)OC(NCc1c(-c2ccc(cc2)C)c(c(C)nc1CC(C)C)C(OC)=O)=O	37
+CC(C)(C)OC(=O)NC1(CCCC1NS(=O)(=O)c2ccc(cc2)C)C	37
+CC(C)(C)OC(N1Cc2c3c(c(Sc4ccc(cc4)C)ccc3)[nH]c2CC1)=O	23
+CC(C)(C)OC(=O)NCc1ccc(cc1)C2(CCCCC2)O	1400
+CC(C)(C)OC(NC1CC1c2ccc(cc2)O)=O	37
+CC(C)(C)OC(N1CC(c2ccc(cc2)Br)CC1)=O	23
+CC(C)(C)OC(N1CC(c2ccc(cc2)N)SCC1)=O	23
+CC(C)(C)OC(=O)NCCC1(CCCC1)C(=O)NC(Cc2ccc(cc2)[N+]([O-])=O)C(OC)=O	37
+CC(C)(C)OC(N1CCOC(Cc2ccc(cc2)OCc3ccccc3)C1)=O	23
+CC(C)(C)OC(=O)NCCc1ccc(cc1)N	37
+CC(C)(C)OC(Nc1ccc(cc1)CCO)=O	150
+CC(C)(C)OC(=O)Nc1ccc(cc1)CCc2c(Cc3ccc(cc3)S(=O)(=O)C)sc(NC(C)=O)n2	150
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)CF)C(O)=O	403
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)[N+]([O-])=O	23
+CC(C)(C)OC(=O)Nc1ncnc2n(-c3cccc([N+](=O)[O-])c3)c(c(-c4ccc(cc4)Cl)c12)Cl	718
+CC(C)(C)OC(NCC(c1ccc(cc1)Cl)CC(O)=O)=O	37
+CC(C)(C)OC(N1CCC(CC1)(c2ccc(cc2)Cl)C(=O)C)=O	23
+CC(C)(C)OC(=O)N(CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F)CC(=O)OCC	663
+CC(C)(C)OC(=O)N1CC(C(c2ccc(cc2)F)CC1)CO	1688
+CC(C)(C)OC(=O)N(CCc1ccc([N+](=O)[O-])cc1Cl)Cc2ccc(cc2)F	23
+CC(C)(C)OC(=O)Nc1ccc(cc1)CO	150
+CC(C)(C)OC(=O)Nc1ccc(cc1)I	150
+CC(C)(C)OC(=O)Nc1ccc(cc1)Sc2ccc(cc2[N+](=O)[O-])C(=O)OC	150
+CC(C)(C)OC(NC1CN(CC1)c2ccc(cc2)C(OC)=O)=O	37
+CC(C)(C)OC(=O)Nc1ccc(cc1)N2CCN(CC2)C	150
+CC(C)(C)OC(=O)NCCN1CCN(CC1)c2ccc(cc2)[N+]([O-])=O	1401
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)O)C	37
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC#CC)C(=O)O	403
+CC(C)(C)OC(NCC(CCOc1ccc(cc1)C#N)O)=O	37
+CC(C)(C)OC(NCCOc1ccc(cc1)[N+]([O-])=O)=O	37
+CC(C)(C)OC(N(CCc1ccccn1)c2ccc(cc2)[N+]([O-])=O)=O	603
+CC(C)(C)OC(NCCOCCOCCOCCOc1ccc(cc1)[N+](=O)[O-])=O	37
+CC(C)(C)OC(N(CCO)CC(c1ccc(cc1)[N+]([O-])=O)O)=O	23
+CC(C)(C)OC(=O)N(CCc1ccc(cc1)[N+]([O-])=O)Cc2ccccc2	2136
+CC(C)(C)OC(=O)N(CCOc1ccc(cc1)[N+]([O-])=O)CC	23
+CC(C)(C)OC(N=C1NC(c2ccncc2)(c3cccnc13)c4cc(ccc4)O)=O	2816
+CC(C)(C)OC(c1ccc(cn1)C(OC)=O)=O	1075
+CC(C)(C)OC(=O)N1c2ccc(Br)cc2CC1	603
+CC(C)(C)OC(=O)NC1Cc2cc(O)ccc2C1	37
+CC(C)(C)OC(NNc1cc(ccc1)C(OC)=O)=O	1609
+CC(C)(C)OC(=O)N(Cc1cc(ccc1)CCO)Cc2ccccc2O	23
+CC(C)(C)OC(=O)N(CC(C(O)C1CCCCC1)N2C(c3ccccc3C2=O)=O)C	23
+CC(C)(C)OC(=O)n1ccnc1CCNC(c2ccccc2N)=O	7381
+CC(C)(C)OC(=O)n1nc(c2cc([N+](=O)[O-])ccc12)-c3ccccc3	868
+CC(C)(C)OC(NC(c1nc2c(cc(F)cc2)c(c1-c3ccccc3)C(=O)OC)C)=O	37
+CC(C)(C)OC(Nc1ccc(-c2ccccc2)nc1Br)=O	970
+CC(C)(C)OC(=O)NCC(C1CC1)NC(c2ccccc2)C	37
+CC(C)(C)OC(=O)NCC(c1ccccc1)O	37
+CC(C)(C)OC(=O)NC(c1ccccc1)COc2ccc(c(N)c2)[N+]([O-])=O	37
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CNC(OC(C)(C)C)=O	37
+CC(C)(C)OC(=O)N1CCC(CC1)(c2ccccc2)C(O)=O	23
+CC(C)(C)OC(NC1CCCC(NC1=O)c2ccccc2)=O	7382
+CC(C)(C)OC(=O)N1CCNC(c2ccccc2)C1	23
+CC(C)(C)OC(NC(Cc1ccccc1)CCCc2ccccc2C(=O)OC)=O	37
+CC(C)(C)OC(NC(Cc1ccccc1)(CO)C)=O	37
+CC(C)(C)OC(N1CC(C(=O)OCC)(F)C(Cc2ccccc2)C1)=O	23
+CC(C)(C)OC(=O)NC1C(N(Cc2ccccc2)C(CC1)=O)c3c(ccc(c3)F)F	7383
+CC(C)(C)OC(=O)N1CCC2(N(Cc3ccccc3)CCC2)C1	23
+CC(C)(C)OC(=O)N(C(C)C)C1CCN(CC1)Cc2ccccc2	23
+CC(C)(C)OC(=O)N1Cc2c(ncn2CC1)C(=O)OC	1365
+CC(C)(C)OC(=O)N(CCN(S(=O)(=O)C)c1cc2C(=O)N(C(c2cc1)=O)CC(=O)OCc3ccccc3)CCOC	23
+CC(C)(C)OC(=O)NC1CCC(C)N(C(=O)OCc2ccccc2)CC1O	37
+CC(C)(C)OC(NCC1(C)C(C)(C)C(NC(OCc2ccccc2)=O)CC1)=O	37
+CC(C)(C)OC(=O)NOC(Cc1ccccc1)C(OCc2ccccc2)=O	4142
+CC(C)(C)OC(N(CCO)C1CCC(CC1)N(C)C)=O	1688
+CC(C)(C)OC(N1CCN(C)CC1C(N(C)OC)=O)=O	1688
+CC(C)(C)OC(N(C1C(O)CN(C(OCc2ccccc2)=O)CC1)Cc3ncc4OCCOc4c3)=O	23
+CC(C)(C)OC(=O)Nc1cc2c(cc1OC)C34CCCCC3C(C2)N(CC4)C(OCc5ccccc5)=O	150
+CC(C)(C)OC(NCC1C(NC(=O)OCc2ccccc2)CCN1C(=O)OCc3ccccc3)=O	1401
+CC(C)(C)OC(NC1(CC1)CCOCc2ccccc2)=O	37
+CC(C)(C)OC(NCCc1c(cc(C(C)C)cc1)OCc2ccccc2)=O	37
+CC(C)(C)OC(=O)NCc1c(cc(cc1)F)OCc2ccccc2	37
+CC(C)(C)OC(N1CC(c2cc(OCc3ccccc3)ccc2C1)O)=O	23
+CC(C)(C)OC(=O)NCCC(c1ccc(cc1)N(C)c2ccc(cc2)OCc3ccccc3)C	37
+CC(C)(C)OC(=O)NCC1=C(c2c(ccc(c2)OCc3ccccc3)C(=O)N1CC(C)C)OCCCC	2507
+CC(C)(C)OC(N1CC2C(C1)c3c(CO2)cc(cc3)OCc4ccccc4)=O	23
+CC(C)(C)OC(Nc1c(OCc2ccccc2)cccc1F)=O	150
+CC(C)(C)OC(=O)NCCC(c1cc(ccc1)OCc2ccccc2)O	37
+CC(C)(C)OC(=O)n1c(cc2c(OCc3ccccc3)cccc12)C(OCC)=O	389
+CC(C)(C)OC(NCc1nc2c(n1Cc3ccccc3)C(=O)N(C(=O)N2C)CCCCC(O)C)=O	37
+CC(C)(C)OC(N1CCCC(N(C(=O)CC)c2ccccc2)C1)=O	23
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(c(c2)[N+]([O-])=O)Sc3ccccc3	23
+CC(C)(C)OC(=O)Nc1cc(c(-n2cccc2)cc1[N+](=O)[O-])OCCOC	150
+CC(C)(C)OC(=O)n1c2ccccc2cc1-c3cnco3	389
+CC(C)(C)OC(=O)n1c2cc([N+]([O-])=O)c(cc2c(I)n1)C	868
+CC(C)(C)OC(=O)n1nc(c2ccc([N+]([O-])=O)cc12)I	868
+CC(C)(C)OC(NC1CCCN(C1)c2nc(Cl)nc3CCCCc23)=O	37
+CC(C)(C)OC(Nc1n(c2ccc(Nc3nc(ncc3)Cl)cc2n1)C)=O	4141
+CC(C)(C)OC(N(CC)Cc1c(c(Br)cnc1)C)=O	23
+CC(C)(C)OC(=O)N1CCc2nc3ccnn3c(Cl)c2CC1	23
+CC(C)(C)OC(=O)N(CCCCC(OC)=O)c1ncccc1	1157
+CC(C)(C)OC(=O)N1Cc2n(cnn2)CC1	23
+CC(C)(C)OC(N(Cc1ccc(s1)C(OC)=O)C)=O	23
+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(c3s2)Oc4ccc([N+]([O-])=O)cc4F)cc1)CCOC	23
+CC(C)(C)OC(N(CCOC)Cc1n(c(nc1)-c2cc3c(c(Oc4ccc([N+]([O-])=O)cc4F)ccn3)s2)C)=O	23
+CC(C)(C)OC(=O)Oc1ccc(c(C#CC(C)(C)O)c1)-c2cc(OC)ccc2F	4144
+CC(C)(C)OC(=O)Oc1cc(c(cc1)-c2c(ccc(OC)c2)F)C#CC(C)(C)OC	4145
+CC(C)(C)OC(=O)NCC(C)(C)N	7384
+C(C)OC(c1ncc(C(=O)O)[nH]1)=O	153
+c1(C)c(C(=O)O)ncc(C#N)c1	153
+CC(C)(C)OC(c1ccccc1CN2C(=O)C3(CCN(CC3)CCCC(=O)c4ccccc4)N(c5ccccc5)C2)=O	183
+CC(C)(C)OC(=O)c1cc(C2CC2)c(OCC3(CCC4(CC3)OCCO4)C)cc1F	2530
+c1cc(ccc1-c2c(C(=O)NC)c3cc(c(cc3o2)CC(=O)OC)-c4cc(C(O)=O)c(F)cc4)F	153
+Nc1c(C(=O)O)ncc(C#N)c1	153
+C1CCC(C1)Sc2c(C(O)=O)cnn2-c3ccc(cc3)C(OC)=O	153
+O=C(c1cc(-c2ccccc2[N+]([O-])=O)[nH]c1C)O	153
+C(C)OC(c1c2cccnn2c(C(=O)O)c1C)=O	153
+C1CC1c2ncc(cc2Cl)Oc3c(cc(C(=O)O)c(c3)Cl)Cl	153
+CC(C)(C)OC(=O)c1nc(n(c1C)-c2ccc(cc2)[N+]([O-])=O)-c3c(cccc3)Cl	431
+c1cc(ccc1-c2c(C)cc(C(=O)O)cc2)C#N	153
+CC(C)(C)OC(=O)c1cc(C2CC2)c(OCC3(CCC(CC3)O)C)cc1F	100
+CC(C)(C)OC(=O)c1cc(C2CC2)c(OCC3(CCC(CC3)=O)C)cc1F	97
+CC(C)(C)OC(c1cc(C)nc(CC)c1)=O	7385
+CC(C)(C)OC(=O)c1cc(Cl)nc(c1)N(C)C	43
+CC(C)(C)OC(c1cc(Cl)nc(NN)c1)=O	383
+CC(C)(C)OC(c1cc(C=C)nc(N(C)C)c1)=O	3354
+CC(C)(C)CNC(c1cc(c(-c2c(C)c(F)cc(C(OC(C)(C)C)=O)c2)cc1)C(=O)O)=O	1
+C1CC1(C(=O)OCC)c2ccc(cc2)-c3c(OC)cc(-c4sc(cc4C(O)=O)F)cc3	153
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OCC)-c4c(C(=O)O)cc(F)s4	153
+C1CC(CCC1)c2c-3n(c4cc(C(O)=O)ccc24)CC(C(=O)OC)=Cc5cc(OC)ccc-35	153
+C(c1ccc2c(c1)ccn2-c3ccc(CC(OC)=O)cc3C#N)(=O)O	153
+c1c(c(ccc1)F)-c2ccc(C(=O)O)cn2	153
+CC(C)(C)OC(=O)c1ccc(nc1Cl)-c2cc(cc(F)c2)OCC(C)C	140
+O=S1(=O)N(CCOC1)c2cc(c(cc2)C(O)=O)Cl	153
+CC(C)(C)OC(c1ccc(NC2CCNCC2)c(c1)[N+](=O)[O-])=O	2
+c1cc(ccc1C(=O)O)C#CC#N	153
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(Nc2ccccc2)=O)CNC(C)=O	33
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(OC)=O)CNC(C)=O	68
+c1ccccc1NC(=O)C(c2ccc(cc2)C(=O)O)CNC(C)=O	153
+c1cc(ccc1C(=O)O)C(C(OC)=O)CNC(=O)NC	153
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(=O)O)CNC(=O)C	4
+c1ccccc1C2=C(N(Cc3ccc(cc3)C(O)=O)C(c4ccc(C(=O)N)cc24)=O)C(=O)OC	153
+CC(C)(C)OC(=O)c1ccc(cc1)CN2C(c3c(cc(C(=O)O)cc3)C(=C2C(=O)OC)c4ccccc4)=O	1
+CC(C)(C)OC(=O)c1ccc(cc1)CN2C(=C(c3ccccc3)c4c(ccc(C(=O)N)c4)C2=O)C(=O)OC	169
+CC(C)(C)OC(c1ccc(cc1)NC(c2cc(ccc2)-c3cc(c4ncnn4c3)Nc5ccc(c(n5)OC)OC)=O)=O	7386
+CC(C)(C)OC(c1c(O)cc(OC(=O)c2ccc(cc2)-c3ccccc3)cc1)=O	1039
+CC(C)COc1cc(F)cc(-c2nc(Cl)c(cc2)C(O)=O)c1	153
+CC(C)(C)OC(=O)c1ccc2c(CCC2Nc3cc(C(OC)=O)nc4ccnn34)c1C	1005
+C(OC)(c1cc(ccc1[N+]([O-])=O)C(=O)c2ncc3ccc(C(=O)O)cn23)=O	153
+CC(C)(C)OC(c1nc(-c2ccc3N(C)CCNc3c2)ccc1)=O	245
+CC(C)(C)OC(=O)c1ccccc1N2C(C3(CCN(CC3)CCCC(=O)c4ccccc4)N(c5ccccc5)C2)=O	183
+c1ccccc1N2CN(c3ccccc3C(O)=O)C(=O)C24CCN(CC4)CCCC(=O)c5ccccc5	153
+CC(C)(C)OC(=O)c1ccccc1N2C(=O)C3(CCNCC3)N(c4ccccc4)C2	62
+CC(C)(C)OC(c1nnn(CC(F)C#Cc2cc3cc(-c4c(cccc4)F)[nH]c3nn2)c1)=O	4147
+CC(C)(C)OC(c1cnc(NN)c(Cl)c1)=O	383
+C1CN(CCC1NC(=O)c2cnc(-c3cc(F)ccc3)cc2)c4ncc(C(=O)O)cc4	153
+c12c(N(CCN1C(Nc3sc4c(cccc4)n3)=O)C)ccc(-c5nc(ccc5)C(=O)O)c2	153
+c1cc(ccc1)COc2c(nc(CC3(CCCC3)c4ncccc4)nc2O)C(O)=O	153
+c1cc(ccc1[N+]([O-])=O)-n2c(C)c(C(O)=O)nc2-c3ccccc3Cl	153
+CC(C)(C)OC(c1nccc(Oc2ccc(N)c(c2)F)c1)=O	242
+CC(C)(C)OC(n1c2c(cc1-c3c(Cl)nc4ccccc4c3)cc(C=O)cc2)=O	39
+O=S(=O)(NC1CCCCC1)c2c(ccc(c2)-c3cc4cccc(Cl)c4[nH]3)Cl	535
+CC(C)(C)OC(n1c(-c2ccc(cc2)S(=O)(=O)Nc3ccc(cc3C(=O)c4ccncc4)Cl)ccc1)=O	3839
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(=O)OCC)Cl)CC#N	1689
+O=S(=O)(c1cc2c(cc(C)[nH]2)cc1)C	535
+FC(F)(c1ccc(F)cn1)c2nc(Nc3cc(n[nH]3)C)c4c(n2)cc(cc4)OC	921
+CC(C)(C)OC(=O)n1c2cccc(O)c2cc1C(OCC)=O	16
+C(C)OC(c1cc2c(cccc2[nH]1)OCc3c4ccc(cc4oc3)F)=O	535
+c1ccccc1S(=O)(=O)Nc2cc(-c3[nH]c4c(cccc4)c3)ccc2Cl	535
+c1c(O)cccc1Nc2oc(-c3cc4ccccc4[nH]3)cn2	535
+c1cc(ccc1-c2[nH]c(cc2)C#N)NS(=O)(=O)CC	2817
+CC(C)(C)OC(n1c2c(cc(NC(=S)NCCN)c(C)c2nc1)F)=O	1167
+CC(C)(c1c2c([nH]c1)cccc2)C#N	535
+CC(C)(C)OC(n1c2ccccc2c(CC(C)N(S(=O)(=O)c3c(C)cc(cc3C)C)C)c1)=O	693
+c1ccccc1-c2c3c(ccc(c3)NS(=O)(=O)c4cc(F)ccc4)n[nH]2	922
+C1CC1Nc2nc(Nc3cc4c(cc3)c(C)[nH]n4)nc5c2occ5	922
+c12[nH]c3C(CCCc3c1c(c(Cl)cc2)Cl)=O	535
+CC(C)(C)OC(=O)n1c2ccc(-c3noc(-c4cc(c(cc4)OC(C)C)C#N)n3)cc2cc1	529
+CC(C)(C)OC(=O)n1c(-c2ccc(c(S(=O)(=O)NC3CCCCC3)c2)Cl)cc4cccc(Cl)c14	7387
+c12cc(ccc1nc[nH]2)Nc3nc(Br)cn4ccnc34	4148
+c1(n[nH]c2c(F)cccc12)OC	922
+c1c(c2[nH]ccc2cc1)CSC	535
+CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(nc4cc(c(cc34)OC(C)=O)OC)-c5cc(ccc5)[N+](=O)[O-])ccc12	73
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(-c4cccc([N+]([O-])=O)c4)nc5ccccc35)c2	73
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(nc4ccccc34)-c5cccc(c5)OC(C)=O)c2	73
+CC(C)(C)OC(n1cnc2c1cc(Br)cc2NCCC(F)(F)F)=O	839
+CC(C)(C)OC(n1c2cc([N+]([O-])=O)c(cc2c(-c3ccccc3)n1)C)=O	1196
+CC(C)Oc1ccc(cc1C#N)-c2nc(no2)-c3ccc4c(cc[nH]4)c3	535
+FC(F)Oc1cc2c([nH]nc2cc1)I	922
+C(C)N(CC)CCCCOc1cc2cc[nH]c2cc1	535
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)Oc3nc(Nc4cccc(N)c4)ncc3	0
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)Oc3nc(Nc4cccc(c4)[N+]([O-])=O)ncc3	55
+CC(C)(C)OC(=O)n1nc(c2c(N)ccc(Cl)c12)Cl	7388
+CC(C)(C)OC(=O)n1c2ccccc2cc1-c3oc(nc3)Cl	2138
+CC(C)(C)OC(=O)n1c(cc2ccccc12)-c3cnc(Nc4cc(ccc4)O)o3	4149
+O(CC)C(C=Cc1c2cc(-n3ncnc3)ncc2[nH]c1)=O	7389
+C(C1CC1c2ncc(OC)cc2)Oc3c(-c4c[nH]nc4)cnc(n3)C	921
+c1cc(ccc1)Oc2c(ccc3c2CCC(C)N3C(C4CC4)=O)-c5c[nH]nc5	921
+CC(C)(C)OC(=O)n1ncc(C=O)c1	576
+CC(C)(C)OC(=O)n1cc(CCCCCc2cn(nn2)CCNC(CCCCCCCCCCC)=O)nc1N	642
+CC(C)(C)OC(n1c(N)nc(c1)CCCCCc2cn(CCNC(c3ccccc3I)=O)nn2)=O	642
+CC(C)(C)OC(=O)n1c2c(cc1)cc(cc2)C(NO)=N	181
+CC(C)(C)OC(n1cnc2c(c(N)cc(F)c12)C)=O	0
+CC(C)(C)OC(=O)n1c2cc(Nc3ccccc3Cl)c(C)cc2c(n1)-c4ccccc4	230
+c1nc(ncc1)-c2c(Nc3c4c(c(cc3)Cl)n[nH]c4CCCN)c5c(o2)cncc5	922
+CC(C)(C)OC(=O)n1nc(c2cc(C3C(=C(C)NC(=C3C#N)C)C#N)ccc12)NS(=O)(=O)CCC	802
+C1(=C(C#N)C(C(=C(C)N1)C#N)c2ccc3n[nH]c(NS(=O)(=O)CCC)c3c2)C	922
+CC(C)(C)OC(n1c2ccc(N)cc2c(-c3ccccc3)n1)=O	0
+CC(C)(C)OC(n1nc(-c2ccccc2)c3ccc(cc13)N)=O	0
+CC(C)(C)OC(=O)n1nc(c2ccc([N+]([O-])=O)cc12)-c3ccccc3	1196
+CC(C)(C)OC(n1nc(C)c2ccc(cc12)N)=O	0
+CC(C)(C)OC(=O)n1ncc(CNc2cnc(C(C)C)cc2)c1	4150
+CC(C)(C)OC(=O)n1cc(cn1)CO	536
+CC(C)(C)OC(n1c2c(cn1)ccc(c2)N)=O	0
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(nc4ccccc34)-c5cccc(OCC(=O)NCCN(C)C)c5)c2	648
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(-c4cc(OCc5occn5)ccc4)nc6ccccc36)c2	4151
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(-c4cccc(OCc5nccn5C)c4)nc6ccccc36)c2	2818
+c12c(ccc(c1)Nc3nc(nc4c3cccc4)-c5cc(OCc6nccn6C)ccc5)n[nH]c2	922
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(nc4ccccc34)-c5cc(ccc5)N)c2	0
+CN(C)CCNC(=O)COc1cccc(c1)-c2nc3c(cccc3)c(Nc4cc5cn[nH]c5cc4)n2	922
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3c4ccccc4nc(-c5cccc(c5)O)n3)c2	173
+CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(nc4cc(OC)c(O)cc34)-c5cc(ccc5)[N+](=O)[O-])ccc12	173
+C1CC1NC(c2cc(c(C)c(F)c2)-c3ccc4c(c[nH]n4)c3)=O	922
+CC(C)(C)OC(c1cn(nn1)CC(COCc2ccccc2)O)=O	2342
+CC(C)(C)OC(=O)c1c(nc(-c2ccccc2Cl)[nH]1)C	4152
+CC(C)(C)OC(C1=C(c2c(C(N1C)=O)cc(CNS(=O)(=O)N(C)C)cc2)c3ccc(c(C)c3)C)C(=O)OC	7390
+CC(C)(C)OC(C(=O)OC)c1c(-c2cc3CCCOc3cc2)sc(C)n1	836
+CC(C)(C)OC(C(OCC)=O)c1c(cc(-c2ccccc2)s1)Br	268
+CC(C)(C)OC(=O)C(NC(C(OCC)=O)CSCCCCCCC)C	7391
+CC(C)(C)OC(C(n1c(cc2c(c(C#N)ccc12)Cl)C(F)F)C)=O	3317
+CC(C)(C)OC(C(Oc1ccc(C#N)c(c1)F)C)=O	289
+O=S(=O)(c1cc(Cl)ccc1C(=O)CC(C2CC2)=O)C	4068
+CC(C)(C)OC(=O)C(CNS(=O)(=O)c1c([N+]([O-])=O)cccc1)C(=O)OC	71
+CC(C)(C)OC(C(C)(C)Cc1ccc(cc1)C=O)=O	146
+CC(C)(C)OC(=O)C(C)(C)Cc1ccc(cc1)CNCc2occc2	42
+CC(C)(C)OC(C(C)(C)Oc1cc(ccc1C(c2ccc(cc2)O)=O)OC)=O	16
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)C(OCC=2N(CCC)C(N(Cc3ccc(cc3)C)N=2)=O)=O)=O	47
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)C(=O)O)=O	1
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)CNCc2ocnc2C)=O	42
+CC(C)(C)OC(C(C)(C)Sc1scc(CCN)n1)=O	45
+c1cc(ccc1-c2ccc(OCCc3csc(n3)SC(C)(C)C(O)=O)c(c2)C(N4CCOCC4)=O)F	32
+CC(C)(C)OC(C(C)(C)Sc1scc(CC(O)=O)n1)=O	3
+c1cc(ccc1Br)CN(c2ncc(cn2)CC)CCc3nc(SC(C)(C)C(O)=O)sc3	32
+CC(C)(C)OC(C(C)(C)Sc1nc(CCOc2ccc(-c3ccc(cc3)F)cc2C(=O)O)cs1)=O	1
+CC(C)(C)OC(C(C)(C)Sc1scc(n1)CCO)=O	21
+CC(C)(C)OC(C(C)(C)Sc1scc(CCNc2ncc(cn2)CC)n1)=O	96
+CC(C)(C)OC(C(C)(C)Sc1nc(cs1)CCN(Cc2ccc(cc2)Br)c3ncc(cn3)CC)=O	7392
+CC(C)(C(OC)=O)Sc1nc(cs1)CCOc2ccc(cc2)I	7393
+CC(C)(C)OC(C(C)(C)Sc1scc(CCOc2ccc(cc2)I)n1)=O	20
+CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ccc(cc2)-c3ccc(cc3)[N+](=O)[O-])cs1	20
+CC(C)(C)OC(=O)C(C)N1C=CC(=CC1=O)c2c(ccc(Cl)c2)C#N	7394
+C1CCCCC1CCN(C(=O)NC(C(O)=O)C)CCSC(=O)C	32
+CC(C)(C)OC(C(C)NC(=O)N(CCSC(=O)C)CCC1CCCCC1)=O	2495
+CC(C)(C)OC(=O)C(CN)C1(CC(C)C)CCN(CCc2ccccc2)C1=O	18
+C1CCCC1C(c2ccc(cc2)CN3Cc4c(cc(F)c(F)c4)C3=O)C(=O)O	32
+CC(C)(C)OC(=O)c1c([nH]c(-c2c(cccc2)[N+](=O)[O-])c1)C	7395
+CC(C)(C)OC(=O)C(C(=O)O)CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CCCC=C	4
+C1CCC(C1)C(CS(=O)(=O)N2CCC(CC2)Oc3c(Br)cc(cc3)F)C(O)=O	32
+CC(C)(C)OC(C(NC(C(N)C)=O)Cc1c[nH]c2c1cccc2)=O	334
+c1c2c([nH]cc2CC(C(=O)O)NC(=O)C(C)NC(c3ccnn3C)=O)ccc1	32
+NC(Cc1ccc(Br)nc1)C(=O)O	32
+CC(C)(C)OC(C(NS(=O)(=O)c1ccc(cc1)-c2ccc(cc2)Cl)CCCN3C(=O)c4ccccc4C3=O)=O	592
+CC(C)C(N1Cc2c(cnc3[nH]cc(C1=O)c23)F)C(=O)O	32
+Clc1ccc(C#N)c(C=2C(Cl)=CN(C(C=2)=O)C(C(=O)O)CC3CCCCO3)c1	32
+CC(C)(C)OC(C(Cc1c[nH]c2c1cccc2)NC(=O)C(C)NC(c3n(ncc3)C)=O)=O	712
+CC(C)(C)OC(C(NC(OCc1ccccc1)=O)CNC(=O)c2ccc(cc2)CCC(NC=3NCCCN=3)=O)=O	7396
+c1cc(ccc1CCC(NC=2NCCCN=2)=O)C(=O)NCC(NC(OCc3ccccc3)=O)C(O)=O	32
+c1cc(ccc1S(=O)(=O)NC(CCCN2C(c3c(C2=O)cccc3)=O)C(=O)O)-c4ccc(cc4)Cl	32
+c1cc(ccc1)S(=O)(=O)NC(Cc2ccc(cc2)OCCCC(N=C3NCCCN3)=O)C(=O)O	32
+CC(C)(C)OC(C(NS(=O)(=O)c1ccccc1)Cc2ccc(cc2)OCCCC(N=C3NCCCN3)=O)=O	7397
+c1cc(ccc1N2C(C(C(O)C(=O)O)OCC2)=O)C	32
+CC(C)(C)OC(C(O)C1C(=O)N(c2ccc(cc2)C)CCO1)=O	883
+CC(C)(C)OC(C(OC)=O)c1c(nc2c(Br)c(-c3ccccc3)nn2c1-c4cc(c5c(CCCO5)c4C)F)C	4153
+CC(C)(C)OC(c1c(nc2n(nc(c2)N)c1-c3cc(c4c(CCCO4)c3C)F)C)C(O)=O	3
+CC(C)(C)OC(C(OCC)=O)c1c(-c2cc(c3c(CCCO3)c2C)F)n4nc(cc4nc1C)N	7398
+CC(C)(C)OC(c1sc(-c2ccccc2)cc1-c3ccc4OCCCc4c3)C(OCC)=O	1402
+CC(C)(C)OC(=O)C(Oc1cc(F)c(cc1)CNC(c2cccnc2Oc3cc4c(non4)cc3)=O)C	56
+CC(C)(C)OC(C(Oc1cc(c(CN)cc1)F)C)=O	107
+CC(C)(C)OC(C(CCCCl)=Cc1cc(c(-n2cc(nc2)C)cc1)OC)=O	1096
+C1CCCC1C(c2ccc(cc2)COC(C)=O)C(O)=O	32
+FC(F)c1n(C(C(=O)O)C)c2ccc(c(Cl)c2c1)C#N	32
+CC(C)(C)OC(=O)CC(=O)CC(CCCC)C	7399
+CC(C)(C)OC(c1c(C)nc2cc(nn2c1Cl)-c3cc(Cl)ccc3)C(OC)=O	1040
+CC(C)(C)OC(C(=O)OCC)c1sc(cc1Br)Br	1040
+CC(C)(C)OC(C(=O)OC)c1nc(C)sc1	1040
+CC(C)(C)OC(C(=O)OC)c1c(C)nc2cc(-c3ccc4c(c3)CCCC4)nn2c1Cl	1040
+CC(C)(C)OC(CC(c1cc(ccc1)-n2cc(C)nc2C)=O)=O	2403
+CC(C)(C)OC(c1c(OCc2ccccc2)ccc3ccccc13)C(OCC)=O	1040
+CC(C)(C)OC(c1c(C)nc2[nH]c(C)c(C)c2c1-c3ccc(cc3)Cl)C(=O)OC	1040
+CC(C)(C)OC(c1c(C)cc2nc(Br)sc2c1-c3ccc(cc3)Cl)C(OCC)=O	1040
+CC(C)(C)OC(c1c(C)nc2n(nc(c2)-c3ccccc3)c1Cl)C(OC)=O	1040
+CC(C)(C)OC(=O)CC(=O)c1cccc(c1)-c2cc(no2)C	2403
+CC(C)(C)OC(C)C1N(c2nc(nc(Cl)c2)NC(c3cc(on3)-c4ccc(cc4)Cl)C)C(=O)OC1	96
+OC(C1N(c2ccnc(F)n2)C(OC1)=O)C	1041
+FC(F)(F)c1cc2scc(N3CCN(CC3)CCC4(CC4)C(=O)O)c2cc1	32
+CC(C)(C)OC(=O)C1(CC1)Cc2cccc(c2Cl)N	196
+CC(C)(C)OC(C1(CC1)Cc2cc(NC(=O)C(C3CCCC3)c4ccc(cc4)C=C)ccc2)=O	443
+CC(C)(C)OC(=O)C1(CC1)Cc2ccc(c(c2)N)F	1197
+CC(C)(C)OC(C1(CC1)Cc2cc(N)ccc2)=O	1197
+C1CCCC1C(c2ccc(cc2)Cl)C(=O)Nc3cc(ccc3)CC4(CC4)C(=O)O	32
+CC(C)(C)OC(C1(CC1)Cc2cc(NC(=O)C(C3CCCC3)c4ccc(cc4)C=O)ccc2)=O	39
+CC(C)(C)OC(C1(CC1)Cc2cc(ccc2)NC(=O)C(c3ccc(cc3)CO)C4CCCC4)=O	59
+FC(F)(F)C(C)C(C(Nc1c(ccc(CC2(CC2)C(=O)OC(C)(C)C)c1)F)=O)N	334
+CC(C)(C)OC(C1(CCOCC1)CN2CCC(CC2)CN)=O	51
+CC(C)(C)OC(C(OC)=O)C=1N(C)C(c2c(cc[nH]2)C=1c3ccc(cc3)C)=O	167
+CC(C)(C)OC(C(=O)OC)C1=C(c2ccc(cc2C(=O)N1C)CN)c3ccc(c(C)c3)C	107
+CC(C)(C)OC(C1=C(c2cc(C)c(cc2)C)c3c(cc(C#N)cc3)C(N1C)=O)C(=O)OC	160
+CC(C)(C)OC(C=1N(C)C(=O)c2n(ccc2C=1c3ccc(cc3)C)Cc4ccc5c(non5)c4)C(=O)O	4
+CC(C)(C)OC(=O)C1CC2(CC2)CNC1C(=O)Nc3ccc(cc3)OCc4c5c(nc(c4)C)cccc5	33
+CC(C)(C)OC(C1CC(CC1CC)CO)=O	95
+CC(C)(C)OC(=O)C1CC(CN)CC1CC	4154
+CC(C)(C)OC(C1CCCC1N(S(=O)(=O)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4)C)=O	693
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)NC(C4N(CC5(CC5)CC4C(=O)O)C)=O	32
+c1ccc(C2C(C(=O)O)C2)cc1C(=O)OC	32
+CC(C)(C)OC(C1C(CC)CC(COS(=O)(=O)C)C1)=O	7
+O=S(=O)(N(C1CCCC1C(O)=O)C)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4	32
+CC(C)(C)OC(C1CCCN2N1C(C(N)CCC2=O)=O)=O	1955
+CC(C)(C)OC(C1N2N(CCC1)C(CCC(NC(OCc3ccccc3)=O)C2=O)=O)=O	1403
+C1CN(CCC1C(=O)O)c2c(cncc2F)NC(c3c4n(cc(F)cn4)nc3N)=O	32
+CC(C)(C)OC(C1C(=O)N(CC)c2cc(OC)ccc2CC1)=O	727
+CC(C)(C)OC(=O)C1C(CN(C(OC(C)(C)C)=O)C1)C=O	378
+CC(C)(C)OC(C1CN(CC)C(=O)N1)=O	7400
+c1ccccc1C2(CCCCC2)CCc3onc(-c4ccc(cc4)CN5CC(C5)C(O)=O)n3	32
+CC(C)(C)OC(C)C1N(c2cc(Cl)nc(Cl)n2)C(=O)OC1	7401
+c1ccccc1COC(NC2CCC(=O)N3N(C2=O)C(CCC3)C(O)=O)=O	32
+N(C1C(N2C(C(=O)O)=C(CBr)CS(=O)C12)=O)C=O	628
+CC(C)(C)OC(=O)CC1CCC(CC1)C(OCC)=O	774
+C1CCCCC(C1)=C(c2ccc(cc2)O)c3ccc(cc3)C=CC(=O)O	628
+C1CC(CCCC1)=C(c2ccccc2)c3ccc(cc3)C=CC(=O)O	628
+CC(C)(C)OC(=O)C=Cc1ccc(cc1)C=CC(=O)c2cc(c(F)cc2)F	307
+O=Cc1ccc(C=CC(=O)O)nc1	628
+CC(C)(C)OC(CCc1ccncc1)=O	159
+c1ccccc1CS(=O)(=O)n2cc(C=CC(=O)O)cc2	628
+CC(C)CC(C(NC1C(=O)NCCCCCCn2cc(c3c2cccc3)C1)=O)CC(O)=O	32
+CC(C)(C)OC(CC(CC(C)C)C(NC(C(=O)NC)CCc1ccccc1)=O)=O	207
+CC(C)(C)OC(CC(NC(C(C)N1C=CC=CC1=O)=O)C(CF)=O)=O	86
+CC(C)(C)OC(CC(C(=O)O)CC(C)C)=O	4
+c1ccccc1COC(C(Cc2ccccc2)CC(=O)O)=O	32
+CC(C)CC(CC(O)=O)C(NC(CCc1ccccc1)C(=O)NC)=O	32
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2nc(no2)Cc3ccncc3)=O	4155
+c1cnccc1Cc2nc(on2)C(CC(=O)O)CCCC3CCCCC3	32
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2onc(n2)CN(CC(=O)NC)C)=O	9
+CC(C)(C)OC(=O)CC(C(=O)O)CCCC1CCCCC1	2820
+CC(C)(C)OC(=O)CC(COS(=O)(=O)c1ccc(cc1)C)Nc2ccc(C#N)c(Cl)c2	36
+CC(C)(C)OC(CC(N)COCOC)=O	102
+CC(C)(C)OC(=O)CC(C(O)=O)Nc1ccc(C#N)c(c1)Cl	945
+CC(C)(C)OC(CC(NC(c1nn(CC(C)C)c(c1)-c2c(cccc2OC)OC)=O)CC(C)C)=O	81
+O=C(O)CC(c1cccc(F)c1)N	32
+CC(C)(C)OC(=O)CC(N)C(NC)=O	2139
+O=C1N(C(C(=O)NC(C(=O)CF)CC(=O)O)C)C=CC=C1	32
+CC(C)(C)OC(CC(NC(=O)OCC1c2c(-c3ccccc13)cccc2)C(NC)=O)=O	9
+c1(cccc(OC)c1-c2n(CC(C)C)nc(C(NC(CC(C)C)CC(=O)O)=O)c2)OC	32
+CC(C)(C)OC(CC(Nc1cc(Cl)c(cc1)C#N)CNCC)=O	1385
+CC(C)(C)OC(CC(Nc1cc(Cl)c(C#N)cc1)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC)=O	2821
+CC(C)(C)OC(=O)CC(CN(S(=O)(=O)c1c([N+]([O-])=O)cccc1)C)Nc2cc(Cl)c(C#N)cc2	693
+CC(C)(C)Cc1onc(c1)-c2onc(C(CC(=O)O)CCCOCc3ccccc3)c2C4CC4	32
+c1cc(ccc1NC(Cc2ccc(c(c2)OC)NC(N3c4ccccc4CC3)=O)=O)C(CC(O)=O)C	32
+CC(C)(C)OC(Nc1ccc(-c2ccccc2F)cc1NC(=O)CC(=O)c3cc(-n4ccnc4SCOC)ccc3)=O	496
+CC(C)(C)OC(=O)CC(Nc1c(cccc1)[N+]([O-])=O)c2ccccc2	60
+CC(C)(C)OC(=O)CC(c1onc(CO)n1)CCCC2CCCCC2	7402
+CC(C)(C)OC(CC(c1onc(n1)C(=O)N2CC(C2)N(C)C)CCCC3CCCCC3)=O	2661
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2nc(no2)C(=O)NC)=O	1506
+C1CN(CCC1)C(c2noc(C(CCCC3CCCCC3)CC(=O)O)n2)=O	32
+c1ccccc1COCCCC(CC(=O)O)c2c(c(-c3cnc(s3)CC(C)C)on2)C4CC4	32
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2nc(CN(CCOC)CCOC)no2)=O	3519
+C1CC(CCC1)CCCC(c2onc(n2)C(=O)N3CC(C3)N(C)C)CC(=O)O	32
+C1CC(CCC1)CCCC(c2onc(n2)C(N3CC(C3)C(OC)=O)=O)CC(=O)O	32
+c1cc(ccc1)C(n2cnc3ccccc23)CC(=O)O	32
+C(CC1(CC2c3ccccc3C1CC2)O)O	2764
+O=S(=O)(N1C(C(NC=C1)=O)CC(=O)O)c2ccc(cc2)C	32
+CC(C)(C)OC(CC1c2n(c3ccc(cc3c2)OCc4ccc(OC(C)C)c(C#N)c4)CC1)=O	139
+CC(C)(C)OC(CC1c2n(c3ccc(OCc4cc(C(F)(F)F)c(CC5CCCCC5)cc4)cc3c2)CC1)=O	139
+FC(F)(F)c1cc(COc2cc3c(n4c(C(CC4)CC(O)=O)c3)cc2)ccc1CC5CCCCC5	32
+CC(C)Oc1ccc(COc2cc3c(n4c(C(CC4)CC(O)=O)c3)cc2)cc1C#N	32
+CC(C)(C)OC(=O)CCC(Nc1ncc(c(O)n1)C(NCc2ccc(cc2Cl)Cl)=O)=O	2004
+CC(C)(C)OC(=O)CCC(=O)Nc1c(C(N)=O)cccn1	142
+CC(C)(C)OC(=O)CCC(=O)NC(Cc1ccc(cc1)Br)CC(=O)OCC	9
+CC(C)(C)OC(=O)CCC(C(=O)N1CCN(CC1)C(=O)OC2CCC2)N	334
+CC(C)(C)OC(=O)CCC(c1ccc(cc1)Oc2ccc(c(c2)CC)OC)=O	46
+FC1(F)C(C(C2C(C)OC(C2(CCC(=O)O)C1)=O)C=Cc3ncc(Br)cc3)C	32
+CC(C)(C)OC(=O)CCCCOc1cnc(nc1)Cl	2448
+c1cc(ccc1)COC(=O)NC(c2oc(cn2)-c3cc4c(cccc4)nc3OC)CCCCCC(=O)O	32
+CC(C)(C)OC(=O)CCCCCOc1ccccc1	116
+O=C(CCCCNC(NCCCCC1C2C(NC(N2)=O)CS1)=O)O	32
+CC(C)(C)OC(CCCOc1c(cccc1)C(OCC)=O)=O	72
+CC(C)(C)OC(=O)CCCOc1cccc(C)c1N(C(c2cc(c(cc2)Cl)Br)=O)C	816
+CCOC(=O)c1c(OCCCC(=O)O)cccc1	32
+c1ccccc1COC(N(CCc2cccc(F)c2)CCC(=O)O)=O	32
+CC(C)(C)OC(=O)CCN1CC(c2ccc(cc2)Oc3ccccc3Cl)S(=O)CC1	7403
+CC(C)(C)OC(CCN1CCC(CC1)CNC2CC2c3scc(C(=O)Nc4sc(nn4)C)c3)=O	318
+C(NC(c1sc(cc1)Cl)=O)CC(=O)O	32
+CC(C)(C)OC(CCN(C(=O)OCc1ccccc1)CCc2cccc(F)c2)=O	66
+CC(C)(C)OC(CCNS(=O)(=O)c1cccc(c1)C(O)=O)=O	1
+c1ccc2C(=O)N(C(c2c1)=O)CCOCCOCCOCCC(O)=O	32
+C1CN(CCO1)CCOCCOCCOCCC(O)=O	32
+CC(C)(C)OC(CCOCCOCCOCCOS(=O)(=O)c1ccc(cc1)C)=O	36
+C(C(=O)O)COCCOCCOCCOCC=CCBr	32
+CC(C)(C)OC(CCOCCOCCOCCN1C(c2c(C1=O)cccc2)=O)=O	2140
+C(COCCc1ccc2c(ccs2)c1)C(=O)O	32
+c1(CCC(=O)O)[nH]c(C(=O)OC)cc1	32
+CC(C)(C)OC(CCc1c(cc(cc1C)C(=O)N)CC)=O	2822
+CC(C)(C)OC(CCc1c(CC)cc(cc1C)C(=NO)N)=O	253
+CC(C)(C)OC(CCc1c(cc(cc1C)C#N)CC)=O	274
+CC(C)(C)OC(CCc1cc(Cl)c(c(c1)Cl)-c2nc3c([nH]2)ccc(-c4nnc(-c5ccc(cc5)Cl)o4)c3)=O	7404
+c1(cc(cc(Cl)c1-c2nc3c([nH]2)ccc(-c4nnc(-c5ccc(cc5)Cl)o4)c3)CCC(O)=O)Cl	32
+CC(C)(C)OC(CCc1nc(cc(S(=O)(=O)C)c1)C2=NC(c3ccc(Cl)cc3S2)=O)=O	2767
+C(c1ccc(cc1C)C(=O)OC)CC(=O)O	32
+CC(C)(C)OC(=O)CCc1cccc(C=2Sc3c(C(N=2)=O)ccc(c3)OC)n1	2416
+CC(C)(C)OC(=O)CCc1cccc(C=2Sc3c(C(=O)N=2)ccc(c3)C)n1	2416
+C1(c2cc(CCC(=O)O)ccn2)=NC(c3ccc(F)cc3S1)=O	32
+c1(ccnc(c1)C=2Sc3c(cccc3)C(N=2)=O)CCC(=O)O	32
+CC(C)(C)OC(=O)CCc1ccnc(C#N)c1	7405
+O=S(=O)(c1cc(C2=NC(c3ccc(Cl)cc3S2)=O)nc(c1)CCC(=O)O)C	32
+CC(C)(C)OC(=O)CN(CC(O)=O)CC	210
+c1cc(ccc1OCC#Cc2ccc(cc2)Cl)S(=O)(=O)N(CC(=O)O)C	32
+C[Si](C)(C)C#Cc1cc(cc(Cl)c1)S(=O)(=O)N(CC(OC(C)(C)C)=O)c2ccc3c(c4ccccc4n3CC)c2	2823
+CC(C)(C)OC(CN1C(=O)C(=CC=C1C)NS(=O)(=O)Cc2ccccc2)=O	7406
+CC(C)(C)OC(CN1C(=CC=C(N)C1=O)C)=O	1849
+c1ccccc1CS(=O)(=O)NC2=CC=C(N(CC(O)=O)C2=O)C	32
+c1cc(ccc1)C2C(C(N(CC(O)=O)c3c(cccc3)S2)=O)NC(=O)c4[nH]c5c(cccc5)c4	32
+CC(C)(C)OC(=O)CN1CC(c2ccco2)SCC(NC(CCc3ccccc3)C(=O)OCC)C1=O	7407
+Clc1ccc(c(C2=CC(=O)N(CC(=O)O)C=3CCC(=O)C2=3)c1)Br	32
+c12c(cccc1)N(c3ccncn3)C(=O)N2CC(=O)O	32
+CC(C)(C)OC(CN1C(N(c2cc(ncn2)Cl)c3ccccc13)=O)=O	7408
+CC(C)(C)OC(CN1c2ccccc2N(c3ccccn3)C1=O)=O	7409
+CC(C)(C)OC(C(N1C=C(Cl)C(c2cc(Cl)ccc2C#N)=CC1=O)CC3CCCCO3)=O	7410
+C(c1cc(C)c(CNC(N2CC(=O)N(c3cccc(F)c23)CC(O)=O)=O)cc1)(N4c5c(cccc5)CCCC4)=O	32
+CC(C)(C)OC(CN1C(=O)N(c2c1cccc2)c3ncncc3)=O	511
+c1ccccc1COC(=O)NC2=CC=CN(CC(=O)O)C2=O	32
+C1CC(CCN1CC(=O)O)n2c3c(c(N)ncn3)c(n2)-c4ccc(cc4)Oc5ccccc5	32
+c12c(N(C(=O)N1CC(=O)O)c3ccccn3)cccc2	32
+c1cc(ccc1OCCc2c(F)cccc2)C(=O)NCC(O)=O	32
+CC(C)(C)OC(CN(S(=O)(=O)c1ccc(cc1)OCC#Cc2ccc(cc2)Cl)C)=O	1387
+c1(NCC(=O)O)ncc(C=O)s1	32
+CC(C)(C)C(COc1ncnc2oc(c(-c3ccc(cc3)CC)c12)-c4ccccc4)COCC(O)=O	32
+CC(C)(C)OC(=O)COCCCCO	168
+CC(C)(C)c1ccc(cc1)C=2N(C)N(C(C=2C(N(C)CCOCC(OCC)=O)=O)=O)c3ccc(cc3)C#N	7411
+C1CC1N(CCOCC(=O)O)S(=O)(=O)c2c(C)cc(cc2C)OC	32
+CC(C)(C)OC(=O)COCCOCCOCCOS(=O)(=O)c1ccc(cc1)C	36
+CC(C)(C)OC(COCCOCCOCCOCCN)=O	18
+CC(C)(C)OC(COCCOCCOCCOCCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(COCCOCCOCCOCCN=[N+]=[N-])=O	133
+CC(C)(C)OC(COCCOCCOCCO)=O	118
+C1CCCCN1S(=O)(=O)c2ccc(Cl)c(c2)COCC(O)=O	32
+c1cc(ccc1COCC(=O)O)Oc2ccc(cc2)C(=O)OC	32
+CC(C)(C)OC(c1oc2c(c(ccc2)O)c1C)=O	7412
+CC(C)(C)OC(COc1ccc(cc1CO)Cl)=O	41
+CC(C)(C)OC(COc1c(cc(cc1Cl)N)Cl)=O	0
+CC(C)(C)OC(=O)COc1ccc(cc1C#C[Si](C)(C)C)Cl	263
+CC(C)(C)OC(COc1c2CCCC(NS(=O)(=O)c3cc(Cl)c(F)cc3)c2ccc1)=O	71
+CC(C)(C)OC(COc1c2c(C(CCC2)NS(=O)(=O)c3ccc(cc3)-c4ccccc4)ccc1)=O	71
+CC(C)(C)OC(COc1c2c(ccc1)C(CCC2)NS(=O)(=O)c3cc(Br)c(nc3)Cl)=O	1362
+CC(C)(C)OC(COc1c2CCCC(NS(=O)(=O)c3cc(Cl)c(cc3)Oc4ccc(cc4)Cl)c2ccc1)=O	46
+O=S(=O)(c1cc(Cl)c(cc1)Oc2ccc(cc2)Cl)NC3CCCc4c3cccc4OCC(O)=O	32
+CC(C)(C)OC(COc1c2c(ccc1)C(CCC2)NS(=O)(=O)c3cc(Br)c(nc3)Oc4c(cc(F)cc4)Cl)=O	136
+CC(C)(C)OC(=O)COc1c2c(ncc(N)c2)sc1C(OC)=O	13
+CC(C)(C)OC(=O)COc1cc(C(=O)O)ccc1Cl	1
+CC(C)(C)OC(COc1ccc(CNC)cc1-c2cc(cc(F)c2)C#N)=O	42
+CC(C)(C)OC(COc1ccc(cc1-c2cc(F)cc(C#N)c2)CN(S(=O)(=O)c3ccc(cc3)F)C)=O	92
+CC(C)(C)OC(=O)COc1c(cc(Cl)cc1)C#Cc2ccc3c(S(=O)(=O)C(C)(C)C3O)c2	455
+CC(C)(C)OC(COc1c(C#Cc2cc(S(=O)(=O)C)ccc2O)cc(Cl)cc1)=O	129
+CC(C)(C)OC(COc1c(C#Cc2c(ccc(S(=O)(=O)N)c2)C)cc(Cl)cc1)=O	455
+CC(C)(C)OC(COc1ccc(cc1)CN)=O	817
+CC(C)(C)OC(COc1ccc(cc1)C=NO)=O	135
+c1cc(ccc1)COC(CCc2ccc(cc2)OCC(O)=O)=O	32
+CC(C)(C)OC(COc1ccc(cc1)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(COc1ccc(cc1)CCOc2c(cccc2)C(OC)=O)=O	262
+c1cc(ccc1OCC(=O)O)CCOc2c(cccc2)C(OC)=O	32
+c1cc(ccc1OCC(=O)O)CCSc2c(cccc2)C(OC)=O	32
+CC(C)(C)OC(=O)COc1ccc(cc1)CNC(c2ncnc(c2)C(=O)NCc3ccc(c(C)c3)F)=O	81
+CC(C)(C)OC(COc1ccc(cc1)OCCOCCOCCOCCCCCCCCCCCSC(=O)C)=O	4157
+c1cc(ccc1OCC(O)=O)OCCOCCOCCOCCCCCCCCCCCSC(=O)C	32
+CC(C)(C)OC(COc1ccc(C=O)cc1-c2cc(cc(C#N)c2)F)=O	99
+CC(C)(C)OC(COc1ccc(cc1Br)CNC)=O	42
+CC(C)(C)OC(COc1ccc(cc1Br)CN(S(=O)(=O)c2cc(Cl)c(cc2)F)C)=O	92
+CC(C)(C)OC(COc1ccc(cc1COS(=O)(=O)C)Cl)=O	7
+CC(C)(C)OC(COc1ccc(cc1)CCC(=O)OCc2ccccc2)=O	992
+CC(C)(C)OC(=O)COc1c(c(C=O)ccc1)C	39
+CC(C)(C)OC(COc1c2CCCC(N)c2ccc1)=O	474
+CC(C)c1c(c(no1)C(C)C)CC(=O)O	32
+Fc1cc(cc(F)c1CC(O)=O)OCCC2C(C3CCN(CC3)c4ncc(cn4)OCC)C2	32
+c1c(F)c(c(cc1CC(O)=O)F)[N+](=O)[O-]	32
+CC(C)(C)OC(=O)Cc1ccc(Oc2ccc(cc2)C(Nc3ccc(c(Cl)c3)Cl)=O)c(CNS(=O)(=O)C)c1	67
+CC(C)(C)OC(Cc1cc(c(cc1)Oc2ccc(cc2)C(=O)O)CNS(=O)(=O)C)=O	1
+N#Cc1cc(F)c(cc1F)CC(O)=O	32
+CC(C)(C)OC(=O)C(c1cc2c(cc1)ncc(OC)c2)C	643
+CC(C)(C)OC(Cc1cc(c(cc1)Oc2ccc(cc2)C(=O)OC)CNS(=O)(=O)C)=O	111
+CC(C)(C)OC(Cc1cc2c(ncc(OC)c2)cc1)=O	2824
+c1(c(Cl)ncc(CC(=O)O)c1)C	32
+CC(C)(C)OC(Cn1c2c(cc(cc2)NCc3ccccc3)nc1CCC)=O	208
+CC(C)C(=O)N(Cc1ccccc1)c2ccc3c(nc(n3CC(=O)O)CCC)c2	32
+OC(Cn1nc(C(N)=O)c2ccccc12)=O	32
+CC(C)(C)OC(Cn1c(CCC)nc2cc(N(C(=O)C(C)C)Cc3ccccc3)ccc12)=O	192
+C(Cn1c2ccc(O)cc2c(C(=O)C)c1)(=O)O	32
+CC(C)(C)OC(=O)Cn1nc(c2cc(Nc3cccnn3)ccc12)C(=O)N	781
+C(C)OC(c1cnn(c1)CC(=O)O)=O	32
+Oc1nc2c(c3ccsc13)cc(c(F)c2F)OC	7413
+CC(C)(C)OC(N(C)C(C(NO)=N)CCCC(O)C)=O	609
+CC(C)(C)OC(N(C(CO)CC=C)CC=C)=O	95
+c1cc(ccc1C#N)Nc2nc(c(C#CCCCNC(=O)C(C)NC)cn2)NCCC	255
+CC(C)(C)OC(N(C)C(C(=O)N(C(CNS(=O)(=O)C)Cc1ccccc1)C)Cc2ccc3c(cccc3)c2)=O	10
+CC(C)(C)OC(=O)N(C(C(Nc1ccc(OC)c(NS(=O)(=O)c2ccc(-c3ccc(C)o3)cc2Cl)c1)=O)C)C	33
+CC(C)(C)OC(N(C(C(NCCCC#Cc1c(nc(nc1)Nc2ccc(cc2)C#N)NCCC)=O)C)C)=O	9
+C(C(C)NC)C=Cc1ccc2c(OCO2)c1	2
+CC(C)(C)OC(N(C)C(CN)CC1COCCC1)=O	51
+CC(C)(C)OC(=O)N(C)C(Cc1ccccc1)CN	273
+CC(C)(C)OC(=O)N(CC=C)C(COC(=O)c1ccc(cc1)[N+](=O)[O-])CC=C	279
+CC(C)(C)OC(=O)N(C(CCNC(=O)c1ccccn1)Cc2ccccc2)C	2406
+CC(C)(C)OC(=O)N(C)C(CCOCC)c1ccc(cc1)OCc2ccccc2	21
+c1cc(ccc1)CC(CNS(=O)(=O)C)N(C(=O)C(NC)Cc2cc3c(cccc3)cc2)C	255
+O=S(=O)(N(C)CC(NC)Cc1cccs1)C	2
+CC(C)(C)OC(=O)N(C)C(CNC(=O)c1cccc(C(OCCNC(OC)=O)c2cc(Cl)ccc2)c1)CC3CCCOC3	14
+c1cc(ccc1)CC(CNS(=O)(=O)C)NC	2
+CC(C)(C)OC(N(C)C(Cc1sccc1)CNC)=O	1130
+CC(C)(C)OC(N(C(CNCc1ccccc1)Cc2ccccc2)C)=O	1130
+CC(C)(C)OC(N(C)C(CN(S(=O)(=O)C)C)Cc1cccs1)=O	112
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)NC)=O)O	2
+CC(C)(C)OC(N(C1CCC(c2ccc(c(Cl)c2)Cl)c3ccc(cc13)C(=O)O)C)=O	1
+CC(C)(C)OC(N(C)C1CCC(c2ccc(cc12)C#CCCCOC)c3ccc(c(Cl)c3)Cl)=O	76
+CC(C)(C)OC(N(C1C(O)C(CCC1)Nc2c(cnc(Cl)n2)-c3cn(C)nc3)C)=O	2420
+FC(F)(F)c1ccc(N2CCCC(N(C)C(OC(C)(C)C)=O)C2)c(NC(c3cc(ccc3F)I)=O)c1	50
+CC(C)(C)OC(=O)N(CC(CN(C(OC(C)(C)C)=O)C)Oc1cc(cc(c1)[N+]([O-])=O)F)C	57
+C1CN(CCC1CCNC)C(OCc2cc(Cl)cc(Cl)c2)=O	2
+CC(C)(C)OC(=O)N(CCCc1cc2cc(ccc2[nH]1)C(Nc3ccc(c(OC)c3)OC)=O)C	2112
+CNCCCCCC(OC)=O	2
+CC(C)(C)OC(N(CCN1c2c(ccc(c2)N=C(c3cccs3)N)SCC1)C)=O	7414
+CC(C)(C)OC(=O)N(C)CCOc1cccc2n(ccc12)S(=O)(=O)c3c(F)cccc3	1520
+CC(C)(C)OC(=O)N(C)CCON=C(c1[nH]c2c(c1)ccnc2)c3ccccc3	4158
+CC(C)(C)OC(N(C)Cc1cn(S(=O)(=O)c2cnccc2)c(c1)Br)=O	1690
+CC(C)(C)OC(N(C)Cc1cn(S(=O)(=O)c2cnccc2)c(c1)-c3cc(C#N)ccc3F)=O	1072
+CC(C)(C)OC(N(Cc1cn(S(=O)(=O)c2cnccc2)c(-c3cccc(C=O)c3F)c1)C)=O	1072
+CC(C)(C)OC(N(C)Cc1cc([nH]c1)Br)=O	4159
+CC(C)(C)OC(=O)N(c1c(ccc(SC)c1)N)C	0
+O(c1nc(ncc1NC)SC)c2c(cccc2)C	7415
+CC(C)(C)OC(=O)N(c1cc(c(OC(C)=O)c(c1C)C)C)C	385
+CC(C)(C)OC(N(C)c1c(ccc(SC)c1)[N+](=O)[O-])=O	972
+CC(C)(C)OC(N(C1C(O)CNCC1)Cc2cc3c(OCCO3)cn2)=O	62
+CC(C)(C)OC(N(Cc1c(F)cc(cc1)F)C2CN(Cc3ccccc3)C(C(=O)N4CCN(CC4)c5ccc(cc5)C(C)=O)C2)=O	10
+CC(C)(C)OC(N(C1CC(N(Cc2ccccc2)C1)C(=O)O)Cc3c(F)cc(cc3)F)=O	4
+CC(C)(C)OC(N(Cc1cc(CCN)ccc1Cl)C2CC2)=O	18
+CC(C)(C)OC(N(C1CC1)Cc2cc(CCN=[N+]=[N-])ccc2Cl)=O	254
+CC(C)(C)OC(N(C1CC1)c2n3ncc(C=O)c3nc(c2)-c4ccnc(F)c4)=O	7416
+CC(C)(C)OC(=O)N(C1CC1)c2n3c(nc(c2)SCc4ccccc4)c(cn3)C=O	3767
+C1CC1Nc2n3ncc(c3nc(-c4ccnc(F)c4)c2)C=O	2776
+CC(C)(C)OC(=O)N(C1CCC(CC1)C=O)C	378
+C1CC(CCC1NC)N2CCCC2	2
+CC(C)(C)OC(N(C1CCCC(N)C1O)C)=O	102
+CC(C)(C)OC(N(C)C1CCCC(Nc2c(Br)cnc(Cl)n2)C1O)=O	40
+CC(C)(C)OC(=O)NCCN(C(OC(C)(C)C)=O)C1CCNCC1	62
+c1cc(ccc1F)-c2c(c(c(nn2)N3CCC(CC3)NC)C)C	2
+CC(C)(C)OC(N(C1CCN(CC1)c2nnc(c(C)c2C)-c3ccc(cc3)F)C)=O	519
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2c3cccc(c3C=CC2=O)OC)Cc4cc5OCCOc5cc4	61
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2C(=O)C=Cc3c([N+](=O)[O-])cccc23)Cc4cc5OCCOc5cc4	61
+CC(C)(C)OC(=O)N(C1CN(C1)c2nc3c(cc([N+]([O-])=O)cn3)n4cnnc24)C	2825
+c1cc(ccc1OC)CN2CCC(C2)Nc3ccc(cn3)C=CC(=O)OCC	2776
+CC(C)(C)OC(=O)N(c1ncc(C=CC(=O)OCC)cc1)C2CCNC2	25
+CC(C)OC(c1c(N2CC(CC2)NCC)nccc1)=O	2
+CC(C)(C)OC(=O)N(CC#C)CCOS(=O)(=O)C	7
+CC(C)(C)OC(N(CC#C)CCO)=O	35
+CC(C)(C)OC(=O)N(CC(N1C(C(OC)=O)CC(N)C1)=O)C	18
+CC(C)(C)OC(=O)N(C)CC(=O)N1C(C(OC)=O)CC(OS(=O)(=O)C)C1	7
+CC(C)(C)OC(N(CCO)CCN1CCSc2cc([N+](=O)[O-])ccc12)=O	15
+CC(C)(C)OC(N(C)CCN1c2c(SCC1)ccc([N+](=O)[O-])c2)=O	15
+CC(C)(C)OC(=O)N(CC(=O)OCC)CCCC(=O)C	97
+C[Si](C)(C)OC(C(N)CN(C(OC(C)(C)C)=O)C)C1CCCCC1	19
+CC(C)(C)OC(N(CC1CC1)C2CC2c3cc(ccc3)C(=O)Nc4cnn(CC)c4)=O	1404
+CC(C)(C)OC(N(CC1CC1)C2CC2c3cc(C(=O)O)ccc3)=O	1
+CC(C)(C)OC(=O)N(C)CCN(c1c(-c2cc(CC)ccc2)c(Cl)ccc1)CCCCOC	713
+CC(C)(C)OC(N(CCCC(C)C)CC1CCCc2c(Oc3ncc(cc3)C(N)=O)cccc12)=O	745
+CC(C)CCCNCC1c2cccc(c2CCC1)Oc3ncc(cc3)C(N)=O	2
+CC(C)(C)OC(N(CCCCN1CCN(CC1)c2cc(nc(n2)C(C)(C)C)C3CCC3)C)=O	15
+CC(C)(C)OC(=O)N(CCCCN(C)C)CCCN	51
+CC(C)(C)OC(N(CCCNC(=O)C(NC(=O)c1cc2ccccc2s1)CC(C)C)C)=O	9
+CC(C)(C)OC(=O)N(CCCNc1c(cnc(Cl)n1)Br)C	40
+CC(C)CC(NC(=O)c1cc2ccccc2s1)C(=O)NCCCNC	2
+CC(C)(C)OC(N(CCCc1ccc2CCCNc2n1)CC(=O)N(C)OC)=O	978
+CC(C)(C)OC(N(CCCc1ccc2CCCNc2n1)CC(=O)OCC)=O	2826
+CC(C)(C)OC(N(CCCc1nc(ccc1)Br)CC=O)=O	378
+CC(C)(C)OC(N(CCCc1nc(ccc1)Br)CC(=O)N(C)OC)=O	978
+CC(C)(C)OC(N(CCN(Cc1c(-c2ccc(cc2)N)nn(C3OCCCC3)c1)C)C)=O	0
+N(c1cc2c(cc1)SCCN2CCNC)C(c3sccc3)=N	7417
+CC(C)(C)OC(N1CCOC(C1)C(C)C)=O	2638
+CC(C)(C)OC(N1CC(OCC1)c2ccc(nc2)Cl)=O	7418
+CC(C)(C)OC(N(CCOC)Cc1n(c(nc1)-c2cc3c(s2)c(Oc4ccc(N)cc4F)ccn3)C)=O	0
+CC(C)(C)OC(N(C)CCON)=O	670
+CC(C)Nc1c(ccc(c1)-c2ccc(cc2)CCNCc3ccccc3)C(=O)OC	2
+CC(C)(C)OC(N(CCc1ccc(cc1)-c2cc(CC(C)C)c(cc2)C(O)=O)CC(O)c3cccnc3)=O	1
+c1c(CNCCc2cccc(Cl)c2)cccc1OCCC	2
+CC(C)(C)OC(=O)N(c1ccc(cc1)N)CCc2ccccn2	0
+c1(cc(O)cc(c1)F)-c2c3c(n(CCNCc4ccccc4F)n2)ncnc3N	2
+CC(C)(C)OC(N(CCn1cnc(-c2cc3c(c(Cl)ccn3)s2)c1)CCOC)=O	7419
+c1ccccc1CN2CC(NCc3ccc(F)cc3F)CC2C(=O)N4CCN(CC4)c5ccc(cc5)C(C)=O	2
+C1CC1NCc2c(Cl)ccc(CCNC(=O)OC)c2	2
+CC(C)(C)OC(N(C)Cc1c(ccc(N)c1)N2CCOCC2)=O	0
+CC(C)(C)OC(N(Cc1c(cccc1)F)CCn2c3c(c(N)ncn3)c(n2)I)=O	2827
+CC(C)(C)OC(N(CCn1c2c(c(N)ncn2)c(n1)-c3cc(F)cc(O)c3)Cc4c(cccc4)F)=O	920
+Nc1cccc(Br)c1CNC	2
+c1ccccc1COC(CN2C(C(=NCCc3cc(CNC)ccc3)NC(Cl)=C2C)=O)=O	7420
+O=S(=O)(N(CC(C)C)Cc1cc(cc(Cl)c1)CNCC(C)C)c2cc(cc(c2O)Cl)Cl	2
+CC(C)(C)OC(N(Cc1cc(CN(S(=O)(=O)c2cc(cc(c2O)Cl)Cl)CC(C)C)cc(Cl)c1)CC(C)C)=O	92
+CC(C)(C)OC(N(CCc1cccc(Cl)c1)Cc2cc(OCCC)ccc2)=O	116
+CC(C)(C)OC(N(C1CC1)Cc2cc(ccc2Cl)CCOS(=O)(=O)c3ccc(cc3)C)=O	36
+CC(C)(C)OC(N(Cc1ccc2OCOc2c1)CCCNC)=O	132
+CC(C)(C)OC(N(c1ccc(cc1)C2CCCCC2)Cc3ccc(cc3)C(=O)O)=O	1
+CC(C)(C)OC(N(Cc1sc(C(=O)O)cc1)C)=O	1
+CC(C)(C)OC(=O)N(CCCN(C)c1snc(Cl)n1)Cc2ccc3OCOc3c2	4160
+CC(C)CCn1c2ccc(CNC)cc2nc1CN3c4ccccc4C(=O)N(C5CC5)C3=O	2
+CC(C)(C)OC(N(Cc1cc(CCNC2=NC(=C(N(C2=O)CC(OCc3ccccc3)=O)C)Cl)ccc1)C)=O	7421
+CC(C)(C)OC(=O)N(Cc1c(cccc1)NC(=O)c2ccc(N3CCCC3)cc2Cl)C(C)COS(=O)(=O)C	7
+CC(C)(C)OC(N(Cc1cn(c(-c2ccccc2)c1)S(=O)(=O)c3cccc(C(O)=O)c3)C)=O	1
+CC(C)(C)OC(N(Cc1cn(S(=O)(=O)c2cnccc2)c(c1)-c3cccc(CO)c3F)C)=O	41
+Ic1cc(Cl)ncc1NC	4081
+CC(C)(C)OC(N(c1ccc(I)cc1F)C2=C(C=CC(N2C)=O)NS(=O)(=O)C3(CC3)CC=O)=O	465
+CC(C)(C)OC(N(c1ccc(I)cc1F)C=2N(C)C(=O)C=CC=2NS(=O)(=O)C3(CC3)CCO)=O	237
+CC(C)(C)OC(N(c1nc(c2c(cc[nH]2)n1)Oc3c(cc(cc3C)Br)C)c4ccc(cc4)C#N)=O	4161
+CC(C)(C)OC(N(c1ccc(cc1)C2CCCCC2)Cc3ccc(cc3)C(=O)NCC(C(=O)OC)O)=O	14
+CC(C)(C)OC(=O)N(CC(=O)OC(C)(C)C)c1nc(ccc1)C=NO	688
+CC(C)(C)OC(N(c1ccncc1)CCOc2cc(cc(C(O)=O)c2)Cl)=O	1
+CC(C)(C)OC(N(c1ccncc1)CCOc2cc(cc(c2)Cl)C(=O)N(c3cccc(c3)F)CCCn4ncnn4)=O	610
+c1cc(ccn1)NCCOc2cc(cc(Cl)c2)C(=O)N(c3cccc(c3)F)CCCn4ncnn4	396
+CC(C)(C)OC(N(c1cccc(n1)C=O)CC(OC(C)(C)C)=O)=O	178
+CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c2c(F)cc(Oc3c(-c4cc(C=O)ncc4)cc(Cl)cc3)c(F)c2	46
+CC(C)(C)OC(Nc1cc2nc(nn2cc1)N(C)C)=O	2652
+CC(C)(C)OC(Nc1nccc(c1)Oc2cnc([N+](=O)[O-])cc2)=O	4162
+CC(C)(C)OC(=O)Nc1cc(F)c(Cl)nc1	7422
+CC(C)(C)OC(=O)Nc1cc2nc(nn2cc1)-c3cccc(c3)OC	2652
+CC(C)(C)OC(Nc1ccc(cc1)Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC)=O	4163
+CC(C)(C)OC(=O)Nc1cc2c(cc1)C(=C(C(C)(C)O2)F)c3ccc(cc3)F	7423
+CC(C)(C)OC(=O)Nc1cc(Oc2cncnc2)cc(Cl)c1	4163
+CC(C)(C)OC(N1CCN(CC1C)Cc2ccccc2)=O	15
+CC(C)(C)OC(N1CCN(Cc2ccccc2)CC1CCCC)=O	15
+CC(C)(C)OC(N1C2CC(C1C(N3CCCC3C#N)=O)CC2=O)=O	86
+CC(C)(C)OC(N1CC(CNC(c2cc(ccc2)C#N)=O)CC1C(=O)N3CCSC3)=O	93
+c1c(C(=O)O)cc(Cl)c(F)c1CNC(=O)C2NCC(F)C2	255
+CC(C)(C)OC(N1C(C(=O)NCc2c(c(Cl)cc(c2)C(O)=O)F)CC(C1)F)=O	1
+CC(C)(C)OC(N1C(C(=O)N2C(C#N)CCC2)C3CC1C(C3)O)=O	10
+CC(C)(C)OC(=O)N1C(CC2(CC2)CC1)(C(O)=O)C	4
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)C)CC1C(=O)OC	7
+O=S(=O)(CC)c1ccc(cc1)CNC(=O)c2cnc3C(NCc3c2)C(C)C	2
+COc1cc(cc(OC)c1OC)C(=O)N2CC(C(N(C)C)=O)NCC2	255
+CC(C)(C)OC(N1C2C(CC1c3n(nnn3)CCC#N)CCCC2)=O	4164
+CC(C)(C)OC(N1C(CN(C(c2cc(OC)c(c(OC)c2)OC)=O)CC1)C(O)=O)=O	4
+CC(C)(C)OC(N1CCN(CC1CO)C(=O)c2cc(OC)c(c(c2)OC)OC)=O	95
+CC(C)(C)OC(N1C(CCC1C(c2ccccc2)O)Cc3ccc(c(Br)c3)NC(Cc4nc(N)sc4)=O)=O	33
+CC1(C)CN(C(=O)CN1)c2c(ccc(F)c2)Cl	255
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3cnc(C(=O)O)cc3)=O	2828
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3cnc(C(NCC)=O)cc3)=O	81
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3cnc(cc3)C(N(C)C)=O)=O	147
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3ccc(nc3)CNCC)=O	729
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3ccc(CN(C)C)nc3)=O	729
+CC(C)(C)[Si](C)(C)OCC(CC1N(C(OC(C)(C)C)=O)C(C)(C)OC1)CC=C	19
+CC(C)(C)OC(N1C(C)(C)OCC1CC2(CC2)CCOCc3ccccc3)=O	149
+CC(C)(C)OC(=O)NC(CO)CC1(CC1)CCOCc2ccccc2	2777
+CC(C)(C)OC(N1C(CC2(CCCCC2)F)COC1(C)C)=O	1138
+c1cc(ccc1Cl)Nc2ccc(cc2)CCC(N)CO	2122
+c1cc(ccc1)OCC(N)CO	2122
+CC(C)(C)OC(=O)N1C(COC1(C)C)Cc2ccc(cc2)Oc3ccc(cc3)OC	754
+C1CC12CC(C(=O)NC(C)c3ccc(cc3)C(=O)OC)(C)NCC2	255
+CC(C)(C)OC(N1CC(CO)CCC1C)=O	88
+c1c(Br)cc2CC(COc2c1)N(CCCN3C(CNC(C)C3)C)C(Nc4cc(Cl)c(F)cc4)=O	2
+CC(C)(C)OC(=O)N1CC(C)N(c2nc(-c3c(C)cccc3C)nc4CCNCc24)CC1C	25
+CC(C)(C)OC(N1C2CC(CC2)C1C(=O)NCC(c3ccc(cc3)Br)=O)=O	612
+CC(C)(C)OC(=O)N1C2CC2CC1CNCc3ccccc3	110
+CC(C)(C)OC(N1CC(=C)CC1COC(=O)c2ccc(cc2)[N+](=O)[O-])=O	2114
+CCOC(=O)C1(CC(NCC1)=O)CCOC	7424
+FC(F)(F)c1ccc(-c2c(Cl)cnc(CNC(C3CC(F)CN3)=O)c2)cn1	255
+C(NC(=O)C1CC(F)CN1)c2ccnc(Br)c2	255
+CC(C)(C)OC(N1C(CC(NC(=O)c2ccc(s2)Cl)C1)CN=[N+]=[N-])=O	133
+CC(C)(C)OC(N1CC(CC1C(=O)O)Nc2c3c(cccc3)nc(-c4ccccc4OC)n2)=O	4
+CC(C)(C)OC(N1C(CC(O)C1)CO[Si](C)(C)C(C)(C)C)=O	19
+CC(C)(C)OC(N1CC(CC1COS(=O)(=O)c2ccc(cc2)C)O)=O	36
+CC(C)(C)OC(N1CC(NC(=O)c2ccc(s2)Cl)CC1CN)=O	18
+CC(C)(C)OC(N1CC(CC1CN)NS(=O)(=O)c2c(ccc(Br)c2)OC)=O	45
+CC(C)(C)OC(=O)N1CC(CC1C#N)O	143
+CC(C)(C)OC(=O)N1C(CC(C1)OC)CO[Si](C)(C)C(C)(C)C	76
+CC(C)(C)OC(N1CC(N(C(OCc2ccccc2)=O)C(C)C)CCC1CC(OCC)=O)=O	66
+CC(C)(C)OC(N1C(CN2C(=O)c3ccccc3C2=O)CC(N=[N+]=[N-])C1)=O	298
+C1CC1(S(=O)(=O)NC(=O)C2(CC2C=C)NC(=O)C3CC4(CN3)C5(CCC5)C4(C)C)CCC	255
+CC(C)(C)OC(N1C(C(NC2(C(=O)NS(=O)(=O)C3(CC3)CCC)C(C2)CC)=O)CC4(C(C)(C)C45CCC5)C1)=O	732
+CC(C)(C)OC(N1C(C)(C)OCC1CC2(CC2)CCO)=O	347
+CC(C)(C)OC(N1C(CC2(CC2)C=C)COC1(C)C)=O	7425
+CC(C)(C)OC(NC(CO)CC1(CCCCC1)F)=O	2777
+CC(C)(C)OC(N1CC2C(CC1CNc3ccc(C(F)(F)F)nn3)C2)=O	232
+CC(C)(C)OC(N1CC2C(C2)CC1CNc3cnc(cn3)C(F)(F)F)=O	941
+CC(C)(C)OC(N1C2C(C2)CC1c3[nH]c4c(n3)ccc5cc(ccc45)Br)=O	442
+CC(C)(C)OC(=O)N1C(C)CCC(C(=N)NO)C1	409
+FC(F)(F)c1cnc(nc1)NCC2NCC(C)CC2	2
+CC(C)(C)OC(N1C(CCC(COc2ccc(cc2)C(F)(F)F)C1)C)=O	262
+FC(F)(F)c1ccc(cc1)OCC2CNC(CC2)C	2
+CC(C)(C)OC(N1C(c2c(CCC1)cc(C(=N)NO)cc2)CCC(OC)=O)=O	181
+CC(C)(C)OC(=O)N1C(CNCc2ccccc2Cl)(CCC1)C	110
+CC(C)(C)OC(N1C(CCC1)(C)C=O)=O	24
+CC(C)(C)OC(=O)N1C(Cn2nc(-c3ccc(cc3)Oc4c(cccc4F)F)c5c2ncnc5N)CCC1	918
+CC(C)(C)OC(=O)N1C(Cn2nc(-c3ccc(cc3)Oc4cc(F)cc(c4)F)c5c2ncnc5N)CCC1	918
+CC(C)(C)OC(=O)N1C(Cn2c3ncnc(N)c3c(-c4c(cc(Oc5ccccc5)cc4)F)n2)CCC1	920
+c1ccccc1C(O)C2NC(Cc3ccc(NC(Cc4nc(N)sc4)=O)c(Br)c3)CC2	2
+CC(C)(C)OC(N1CCCCC1C(=O)NC(C=CC(=O)OC)CC)=O	1475
+CC(C)(C)OC(N1CCCCC1C(=O)NC(Cc2cnc(cc2)Br)C(=O)N)=O	207
+c1ccccc1CCCC(CCCc2ccccc2)NC(=O)C3CCCCN3C(OC(C)(C)C)=O	9
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCCCN3C(=O)C4CCCCN4C(=O)OC(C)(C)C)=O	348
+CC(C)CC(C(=O)NCCC1CSCCN1)NC(=O)c2cc3ccccc3s2	2
+c1ccccc1COC(N2CC(CCn3ncc4ccccc34)NCC2)=O	2
+CC(C)(C)OC(N1CC(N(CCCNC2Cc3c(ccc(Br)c3)OC2)CC1C)C)=O	284
+CC(C)(C)OC(N1C(C(N(C)C)=O)CN(C(=O)c2cc(OC)c(c(c2)OC)OC)CC1)=O	10
+CC(C)(C)OC(N1C(C)(CC)CN(Cc2cc(nc3c2c(C)nn3C4CCCCO4)-c5ccc(cc5)O)C(C)(C)C1)=O	119
+CC(C)(C)OC(N1C(CN(Cc2cnc(N(C)C(c3cnc(cc3)Oc4ccc(cc4)F)=O)cc2)CC1)C)=O	136
+CC(C)(C)OC(N1C(CN(Cc2cnc(cc2)N(C)C(c3ccc(nc3)Cl)=O)CC1)C)=O	7426
+CC(C)(C)OC(=O)N1C(C(O)=O)CN(CC1)c2ncnc3c2cc(c(Cl)c3)Br	4
+CC(C)(C)OC(=O)N1CC(CC1CN2C(=O)c3ccccc3C2=O)N	18
+CC(C)(C)OC(N1C(CC2C(C2)C1)CN)=O	45
+CC(C)(C)OC(N1CC2C(C1CN)CC(C2)C)=O	273
+CC(C)(C)OC(=O)N1CCCC1COS(=O)(=O)C	7
+CC(C)(C)OC(=O)N1CCCC1COS(=O)(=O)c2ccc(cc2)C	36
+CC(C)(C)OC(=O)N1C(CCC1)CN2N=C(Cc3ccc(cc3)Cl)c4c(cccc4)C2=O	7427
+CC(C)(C)OC(N1C(C)(C)OCC1COc2ccccc2)=O	20
+CC(C)(C)OC(N1C(CC(=O)C1)COC(=O)c2ccc(cc2)[N+](=O)[O-])=O	86
+CC(C)(C)OC(=O)N1C(C)(C)OCC1CC2COCCC2	1117
+CC(C)(C)[Si](C)(C)OCC1C(C)=CC(CN1)N(OCC=C)S(=O)(=O)c2c(cccc2)[N+]([O-])=O	366
+CC(C)(C)OC(=O)N1C(C=C(C(=O)N(C)C)C(N(S(=O)(=O)c2c(cccc2)[N+](=O)[O-])OCC=C)C1)CO	35
+CC(C)(C)OC(N1C(CCNC(C(NC(=O)c2cc3ccccc3s2)CC(C)C)=O)CSCC1)=O	9
+c1cc(ccc1F)Cn2c3CNC(CN)Cc3c4c2cccc4	2
+CC(C)(C)OC(N1Cc2c(cccc2)CC1C(=O)NCC(c3ccccc3)=O)=O	612
+CC(C)(C)OC(N1C(CO)Cc2c3ccccc3n(Cc4ccc(cc4)F)c2C1)=O	21
+CC(C)(C)OC(N1C2C(OC1=O)CCN(c3ccncc3N)C2)=O	13
+CC(C)(C)OC(=O)N1C(c2ccc(-c3nc(on3)-c4ccc(c(c4)Cl)OC(C)C)cc2CCC1)CCC(=O)OC	3811
+C1CN(CCO1)c2nc3cc(ccc3cc2C4CCCN4)F	2
+CC(C)(C)OC(=O)NC1C(CCCC1)Nc2c(c3CN(C(OC(C)(C)C)=O)C(c3c(Cl)n2)=O)F	70
+c1(C2NCCC2)cc(ccc1F)F	2
+C1COCCN1C2=CC(=O)c3cc(C(=O)OC)cc(C4NCCC4)c3O2	2
+FC(F)(F)c1cc(-n2c(C)nnn2)cc(COC3CCCN(C3c4ccccc4)C(=O)OC(C)(C)C)c1	7428
+c1cc(ccc1F)Cn2nc(C3NCC4CCCN4C3)cc2	2
+C1(NCCC1)c2sc(-c3nc4cccc(C(=O)N)c4[nH]3)cc2	2
+CC(C)Oc1c([N+]([O-])=O)ccc(N2CCC3(CCCN3)C2)c1	2
+CC(C)(C)OC(=O)N1C2(CCN(CC2)C(=O)c3ccc(cc3)-c4cn5c(-c6ccc(cc6)C#N)cnc5cc4)CCCC1	30
+C1C2CC3CC1(CC(C2)C3)NC(=O)N4CC5(C4)NCC5	2
+CC(C)(C)OC(N1C(C(=O)O)C2CC1C(C2)O)=O	3
+c1cc(ccc1)COC(N2CC3NCCC3C2)=O	2
+CC(C)(C)OC(=O)N1C2CC2CC1CO	44
+CC(C)(C)OC(=O)N1C2CCCC2CC1CNC(=O)c3cccc4c3CCO4	14
+CC(C)(C)OC(=O)N1C2CCCC2CC1CNC(=O)c3c(C)nc4n3ccs4	312
+CC(C)(C)OC(=O)N1C2CCCCC2CC1c3[nH]nnn3	2612
+CC(C)(C)OC(N1C2C(n3c(c(C(O)=O)c(I)n3)C1)COC2)=O	6
+CC(C)(C)OC(=O)N1C(=O)OC2CCN(c3c(cncc3)NC(c4nc(ccc4N)-c5c(F)cccc5F)=O)CC12	510
+CC(C)(C)OC(N1Cc2c(C(=O)N)c(nn2C3C1COC3)I)=O	1356
+CC(C)(C)OC(N1C(C(=O)N2C(C#N)CCC2)C3CC1C(C3)O)=O	100
+CC(C)(C)OC(=O)N1C2CC(C1CC2)CN=[N+]=[N-]	133
+CC(C)(C)OC(=O)N1C(CN)C2CCC1C2	273
+C1CC2CC(CC1N2)(Cn3ncnc3)C4CCCCC4	2
+CC(C)(C)OC(N1C2CC(CC1CC2)(c3ccccc3)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)(COS(=O)(=O)C)C3CCCCC3	2820
+CC(C)(C)OC(=O)N1C(C2CCC1C2)c3[nH]c(-c4ccc(cc4)Br)cn3	4165
+FC(F)(F)C(NCC1CC2CC2N1C(=O)OC(C)(C)C)=O	659
+o1c(-c2csc(c2)Cl)cc(n1)C3NC4CC4C3	2
+C1C2CCC(CC1NC(CCCc3cnn[nH]3)=O)N2	2
+CC(C)(C)OC(=O)N1C2CNCC1CC2	25
+CC(C)(C)OC(=O)N1C(CC2CCCC12)CNCc3ccccc3	110
+CC(C)(C)OC(N1CC2CC1CN2c3nc(cc4nccn34)-c5cc(NCc6c7c(cccc7)ccc6)ncc5)=O	70
+CC(C)(C)OC(=O)N1CCC(=C(C(OC)=O)C1)c2ccc(cc2)OCc3onc(-c4c(F)ccc(F)c4Cl)c3	20
+c1cc2CCN(CC(CN3CCNCC3=O)O)Cc2cc1	255
+CC(C)(C)OC(N1CC(=O)N(CC(O)CN2Cc3c(cccc3)CC2)CC1)=O	170
+CC(C)(C)OC(=O)N1CCN(C(=O)C1)c2nc3c(cc2)cc(C#N)cc3	7429
+CC(C)(C)OC(=O)N1CCN(c2c3c(n(c2)CC)nc(cc3)F)C(C1)=O	7430
+CC(C)(C)OC(=O)N1CC(CCC1)C(=N)NO	409
+CC(C)(C)OC(=O)N1CC(C=2CC(=O)n3c(ccn3)N=2)CC1	1085
+CC(C)(C)OC(=O)N1CC(CC(C#N)C1)N(CC(C)C)C(c2nc3ccccc3n2CCCCOC)=O	143
+c1ccccc1COC(N2C(C(N3CCOCC3)=O)CNCC2)=O	2
+c1cc(ccc1)CNC(C2CNCC2CN(C(c3cc(c(cc3)OC)OCCCOC)=O)C(C)C)=O	2
+CC(C)(C)OC(N1CC(CCC1C)c2nc3c(ccc(Cl)c3)o2)=O	2037
+CC(C)(C)OC(N1CC(C(Nc2ccc(cc2)Cl)=O)CC(N=[N+]=[N-])C1)=O	33
+CC(C)(C)OC(=O)N1CC(Cc2ccccc2)C(CO)(F)C1	44
+c1ccccc1COC(C2CNCCO2)=O	2
+CC(C)(C)OC(C1CN(C(=O)OC(C)(C)C)CC1C(=O)N(C)OC)=O	1885
+CC(C)(C)OC(N1CCC(C(C1)OC)N)=O	316
+CC(C)(C)OC(=O)N1CC(N(C)C)C(NC(=O)c2nc(c(Cl)[nH]2)CC)CC1	855
+CC(C)(C)OC(=O)N1CC(C(CC1)NC(OCc2ccccc2)=O)C(O)=O	3
+CC(C)(C)OC(N1CCC(C(OCc2cc(OCc3ccccc3)c4ccccc4c2)C1)c5cccc(c5)C(=O)OC)=O	555
+CC(C)(C)OC(=O)N1CCC(C(C1)COC)c2ccc(cc2)Cl	21
+CC(C)(C)OC(=O)N1CC(C(c2ccc(cc2)OCCCOCc3c(F)cccc3)CC1)=O	8
+CC(C)(C)OC(N1CC(OCc2cc(OCc3ccccc3)c4ccccc4c2)C(CC1)c5cccc(CF)c5)=O	2672
+CC(C)NCC1C(CNC1)CN(C(c2ccc(c(c2)OCCCOC)OC)=O)C(C)C	2
+CC(C)(C)OC(N1CC(CNC(=O)C(CC(C)C)NC(c2cc3ccccc3s2)=O)C(O)C1)=O	1816
+CC(C)(C)OC(N1CC(C(CNC(C(CC(C)C)N)=O)C1)O)=O	334
+c1(ccc2c(n1)NC(=O)CS2)CN(C(=O)C3CNCCO3)C	2
+CC(C)(C)OC(N1CCC(C(=O)C)C1)=O	2830
+CC(C)(C)OC(N1CCC(C(=O)C)C1)=O	591
+CC(C)(C)OC(=O)N1CC(CC1)C(c2ncc(Br)cc2)=O	7431
+c1cc(ccc1NC(=O)C2CNCC(C2)N=[N+]=[N-])Cl	2
+CC(C)(C)OC(N1CC(N(CC1)C)c2nc(no2)-c3ccc(cc3)F)=O	859
+CC(C)(C)OC(N1CC(c2cc(ccc2C1)OC)C(O)=O)=O	4
+CC(C)(C)OC(=O)N1CCC(C(C1)CN)OC	18
+CC(C)(C)OC(=O)N1CC(C(C(=O)OCC)C1)C=O	24
+CC(C)(C)OC(N1CC(C(OCC1)c2cc(c(Cl)cc2)Cl)CC#N)=O	300
+CC(C)(C)OC(=O)N1CCOC(c2cc(Cl)c(cc2)Cl)C(CN=[N+]=[N-])C1	133
+CC(C)(C)OC(N1CC(C(OCC1)c2ccc(Cl)c(c2)Cl)CC(N)=NO)=O	609
+CC(C)(C)OC(N1CC(C(OCC1)c2ccc(Cl)c(c2)Cl)Cc3nc(C)on3)=O	7432
+CC(C)(C)OC(N1CC(c2ccc(c(Cl)c2)Cl)C(C(O)=O)C1)=O	4
+CC(C)(C)OC(N1CC(C(c2ccc(cc2)OCC(OCC)=O)CC1)OCc3ccc4c(cccc4)c3)=O	52
+CC(C)(C)OC(=O)N1CC(C)(C)NCC1C(C)C	25
+CC(C)(C)OC(N1C(CN(Cc2c3c(C)nn(C4CCCCO4)c3nc(c2)Br)C(C)(C)C1)(C)CC)=O	2141
+CC(C)(C)OC(N1CC(C)CCC1CNc2nc(C)cc(C)n2)=O	96
+FC(F)(F)c1cc(NCC2CCC(CN2C(OC(C)(C)C)=O)C)ncc1	182
+CC(C)(C)OC(N1CC(CCC1CNc2ccc(cn2)C(F)(F)F)C)=O	70
+CC(C)(C)OC(N1C(CCC(C1)C)CNc2ncc(cn2)C(F)(F)F)=O	96
+c1(nc(nc(C)c1)NCC2CCC(CN2)C)C	2
+CC(C)(C)OC(N1CC(C)N(CC1)c2ccc(nc2)N)=O	161
+CC(C)(C)OC(N1CC(C)N(c2cnc(cc2)NC3=CC(=CN(C3=O)C)Br)CC1)=O	523
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)N3C(CNCC3)C)Br	2
+N12C(CNCc3c1c(ccc3)C(CF)CC2)C	2
+CC(C)(C)OC(N1CC(C)N2CCC(CF)c3cccc(c23)C1)=O	2831
+CC(C)(C)OC(=O)N1CC(C1)(CNC(=O)c2c(ccc(F)c2Cl)F)C3CCCCN3C	93
+C1C(CN1)(c2cc(cc(F)c2)Cl)O	2
+CC(C)(C)OC(N1CC(C1)(O)c2cc(cc(F)c2)Cl)=O	251
+O=S(=O)(NC(C1CNC1)=O)Cc2ccccc2	2
+CC(C)(C)OC(N1CC(C1)c2[nH]c3c(cc(C)cc3)n2)=O	791
+CC(C)(C)OC(N1CC(C1)c2[nH]c3cc(ccc3n2)Cl)=O	791
+CC(C)(C)OC(N1CC(C1)C(c2ccccc2OC)=O)=O	832
+CC(C)(C)OC(=O)N1CC(C1)CO	21
+CC(C)(C)OC(N1CC(C1)C(N(OC)C)=O)=O	164
+CC(C)(C)OC(=O)N1CC(C1)c2nc(no2)-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C	859
+CC(C)(C)OC(=O)N1CC(C1)Cc2c(OC)cccc2	165
+C1CN(CCC1C2CNC2)C(=O)c3sccn3	2
+CC(C)(C)OC(N1CC(C1)CCO)=O	21
+CC(C)(C)OC(=O)N1CC(C1)Cc2onc(-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)n2	859
+CC(C)(C)OC(N1CC(C1)CCOc2cccc(Oc3ccc(cc3)Cl)c2)=O	20
+CC(C)(C)OC(N1CC(C1)Cn2nccc2)=O	1593
+CC(C)(C)OC(=O)N1CC(C1)c2c(c(C(C)=O)cc(c2C)Cl)OC	2832
+CC(C)(C)OC(=O)N1CC(C1)c2c(c(cc(C(=O)C)c2OC)Cl)F	2832
+CC(C)(C)OC(=O)N1CC(C1)c2cc(c(cc2)OCc3ccc(cc3)C4CC4)OC	2832
+CC(C)(C)OC(N1CC(C1)Nc2cncc(N3C(c4c(cc(cc4)Cl)C3(C)C)=O)c2)=O	7433
+CC(C)(C)OC(=O)N1CC(C1)NC(Nc2cc(F)c(cc2)Oc3c4c(ncc3)cc(s4)-c5ccc(cn5)C6OCCO6)=O	1337
+CC(C)(C)OC(N1CC(C1)NC(CNC(=O)OCc2ccccc2)=O)=O	9
+C1CN(CCN1C2CNC2)C(c3sccn3)=O	2
+CC(C)(C)OC(N1CC(C1)NC(=O)CNc2c3cc(C(F)(F)F)cnc3ccn2)=O	7434
+FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C(OC(C)(C)C)=O)c2c1	2801
+CC(C)(C)OC(N1CC(C1)NC(=O)CN)=O	334
+CC(C)(C)OC(N1CC(C1)NC2CNCC2)=O	62
+C1C(CN1)NC2CN(CC2)C(=O)c3ccccc3	2
+CC(C)(C)OC(N1CC(C1)NC2CCN(C(c3ccccc3)=O)C2)=O	30
+CC(C)(C)OC(=O)N1CC(C1)n2nccc2-c3cc(ccc3O)C(F)(F)F	2008
+CC1(C)c2c(C(N1c3cc(NC4CNC4)cnc3)=O)ccc(Cl)c2	2
+CC(C)(C)OC(N1CC(C1)Oc2n(-c3ccnc(N)n3)c4c(n2)ccc(Br)c4)=O	7435
+FC(F)(F)c1c(cccc1)COC2CN(C2)C(=O)OC(C)(C)C	149
+CC(C)(C)OC(N1CC(C1)Oc2c(C=O)c(cc(Cl)c2)F)=O	57
+C1C(CN1)OCCN2C(C(=Cc3cnc(NCC)nc23)c4ccc(-c5nc(C)cnc5)cc4Cl)=O	2
+CC(C)(C)OC(N1CC(C1)OCCN2C(C(=Cc3cnc(NCC)nc23)c4ccc(-c5nc(C)cnc5)cc4Cl)=O)=O	306
+CC(C)(C)OC(N1CC(C1)OCCN2c3nc(ncc3C=C(C2=O)c4ccc(-c5nc(C)cnc5)cc4Cl)SC)=O	1597
+CC(C)(C)OC(N1CC(C1)OCCN2C(C(=Cc3cnc(S(=O)C)nc23)c4ccc(-c5nc(C)cnc5)cc4Cl)=O)=O	172
+CC(C)(C)OC(N1CC(C1)OCCN2C(C(Br)=Cc3cnc(SC)nc23)=O)=O	7436
+CC(C)(C)OC(=O)N1CC(C1)Oc2cc(cc(c2O)F)Cl	7437
+CC(C)(C)OC(N1CC(C1)Oc2c(ccc(c2)Cl)OCC(=O)OCC)=O	7438
+CC(C)(C)OC(N1CC(C1)Oc2cc(Cl)ccc2OCC(=O)O)=O	3
+CC(C)(C)OC(N1CC(C1)Oc2c(ncnc2-c3c(c(cc(F)c3)NC(c4c(cc(C5CC5)cc4)F)=O)C)N)=O	379
+CC(C)(C)OC(N1CC(C1)Oc2c(OCc3nc(C)no3)ccc(Cl)c2)=O	1166
+CC(C)(CN1C(c2[nH]c3ccccc3c2CC1C)c4c(cc(cc4F)OC5CNC5)F)F	2
+CC(C)(C)OC(N1CC(C1)Oc2cc(F)c(c(c2)F)C3c4[nH]c5ccccc5c4CC(N3CC(C)(C)F)C)=O	7439
+C1CN(CCO1)Cc2ccc(cc2OC)OC3CNC3	2
+C1NCC1Oc2nc3c(n2-c4ccnc(N)n4)cc(Br)cc3	2
+C1NCC1c2[nH]c3c(cc(C)cc3)n2	2
+C1C(CN1)c2[nH]c3c(cc(Cl)cc3)n2	2
+CC(C)n1ncnc1-c2sc3c(-c4c(cc(C5CNC5)cc4)OCC3)n2	2
+CC(C)(C)OC(N1CC(C1)c2ccc(c(F)c2)N(C)c3ncc4c(n(C)cn4)c3)=O	1121
+C1C(CN1)c2ccc(c(c2)F)N(C)c3ncc4c(n(C)cn4)c3	2
+CC(C)(C)OC(N1CC(C1)c2ccc(Nc3ncc4c(n(cn4)C)c3)c(c2)F)=O	1504
+c1cc(ccc1-c2ncn(C3CNC3)c2-c4nc(ncc4)N)F	2
+CC(C)(C)OC(N1CC(C1)n2c3nccc(NS(=O)(=O)c4ccccc4)c3c(-c5cc6c(CCN6C)cc5F)c2)=O	7440
+c1cc(ccc1)S(=O)(=O)Nc2ccnc3n(C4CNC4)cc(-c5cc6c(CCN6C)cc5F)c23	2
+CC(C)(C)OC(N1CC(C1)n2c3c(c(c2)-c4c(cc5CCN(c5c4)C)F)c(Br)ccn3)=O	4167
+CC(C)(C)OC(=O)N1CC(N(OCC=C)S(=O)(=O)c2c(cccc2)[N+]([O-])=O)C=C(C1C(=O)N)C	7441
+CC(C)(C)OC(=O)N1CC(C(CNC(C)C)C1)Cc2ccccc2	110
+CC(C)(C)OC(=O)N1CCC(C1)C=C	2142
+CC(C)(C)OC(N1CC(C(=O)O)CC(NC(OCc2ccccc2)=O)C1)=O	4
+CC(C)(C)OC(=O)N1CC(N2C(c3c(-c4c(Cl)cccc24)noc3C)=O)CC(C(O)=O)C1	3
+CC(C)(C)OC(N1CC(Nc2ccc(cc2)C=3C(=O)N4C=CC=CC4=NC=3NC(C)C)CC1)=O	205
+CC(C)(C)OC(N1CCC(NC(=O)Nc2ccc3c(n(-c4ccccc4)nc3SC)c2)C1)=O	675
+CC(C)(C)OC(N1CCC(Nc2c3c(cccc3cc(n2)C#N)Cl)C1)=O	70
+CC(C)(C)OC(N1CCC(Nc2c3cc(Cl)ccc3cc(C#N)n2)C1)=O	70
+CC(C)(C)OC(=O)N1CCC(C1)NCc2c(Cl)cc(cc2)Cl	42
+CC(C)(C)OC(=O)N1CC(Nc2nc(C#N)cc3ccccc23)CC1	70
+CC(C)(C)OC(N1CCC(NC(OCc2ccccc2)=O)C1)=O	2834
+CC(C)(C)OC(=O)N1CC(CC1)Nc2c(cc(S(=O)(=O)N)cc2)[N+]([O-])=O	60
+CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1	71
+CC(C)(C)OC(N1CC(CC1)Nc2c3cc(ccc3cc(Cl)n2)F)=O	70
+CC(C)(C)OC(=O)N1CCC(C1)Nc2cc(Cl)c(cc2)F	250
+CC(C)(C)OC(=O)N1CCC(C1)Nc2cc(c(C#N)cc2)Cl	60
+CC(C)(C)OC(N1CC(CC1)NC(=O)c2cc3nccc(c3s2)Oc4ccc([N+]([O-])=O)cc4F)=O	1256
+CC(C)(C)OC(=O)N1CCC(C1)NC(=O)c2ccc(cc2)-n3c4ccccc4nc3C	14
+CC(C)(C)OC(N1CC(Nc2ccc(cc2)C3=C(OC)N=C4C=CC=CN4C3=O)CC1)=O	205
+CC(C)(C)OC(=O)N1CC(NCc2ccc(cc2)Cl)CC1	42
+CC(C)(C)OC(=O)N1CC(CC1)Nc2c3c(n(CC)c(C(=O)OC)n3)ncn2	516
+CC(C)(C)OC(N1CCC(C1)Nc2cc(-c3c(cccc3)O)nc4c2cccc4)=O	105
+CC(C)(C)OC(N1CC(NC(=O)COCCN(C)C)CC1)=O	28
+CC(C)(C)OC(N1CC(CC1)NC(=O)c2cc3nccc(c3s2)Oc4ccc(N)cc4F)=O	0
+CC(C)(C)OC(N1CCC(Nc2c3c(ccc(c3)F)cc(C#N)n2)C1)=O	577
+CC(C)(C)OC(=O)N1CCC(Oc2c3c(cccc3Cl)cc(n2)C#N)C1	91
+CC(C)(C)OC(N1CCC(OS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(N1CC(CC1)OCc2ccccc2)=O	149
+c1ccccc1COC2CNCC2	2
+CC(C)(C)OC(N1CCC(n2c(c(-c3ccc(cc3)Oc4ccccc4)c5c(N)ncnc25)C(=O)N)C1)=O	2835
+CC(C)(C)OC(=O)N1CC(CC1C(N(C)C)=O)Nc2nc(nc3ccccc23)-c4ccccc4OC	10
+CC(C)(C)OC(=O)N1CC(CC1C(OC)=O)c2ccccc2	325
+CC(C)(C)OC(=O)N1C(C(NC2(CC2C=C)C(=O)OCC)=O)CC(OC(=O)N3Cc4c(F)cccc4C3)C1	1468
+CC(C)(C)OC(=O)N1CC(CC1C(O)=O)OC	4
+CC(C)(C)OC(=O)N1C(CC(Nc2ccc(cc2[N+](=O)[O-])Br)C1)CO	60
+CC(C)(C)OC(N1CC(CC1CN=[N+]=[N-])O)=O	254
+CC(C)(C)[Si](C)(C)OC1CNC(C1)COc2c3c(ncnc3Nc4cc(c(F)cc4)Cl)cc(OC)c2	2
+CC(C)(C)OC(=O)N1CC(OS(=O)(=O)C)CC1Cc2c3ccccc3[nH]c2C	7
+Clc1cccc(C(C2CCCNC2)(O)CCCCOC)c1	2
+CC(C)(C)OC(N1CCCC(C(c2cccc(Cl)c2)(OC)CCCCOC)C1)=O	76
+CC(C)(C)OC(N1CC(Cn2c(nc3c2nc(nc3)NCc4ccc(F)c(F)c4)-c5c(Cl)cccc5F)CCC1)=O	4168
+CC(C)(C)OC(=O)N1CC(CCC1)CI	572
+CC(C)(C)OC(N1CC(CCC1)NC(c2ccc(cc2)Nc3nc(c(F)cn3)-c4n(C(C)C)c(nc4)C)=O)=O	4169
+c1cc(ccc1Nc2nc(c(F)cn2)-c3n(C(C)C)c(nc3)C)C(=O)NC4CCCNC4	2
+CC(C)(C)OC(N1CCCC(C1)c2c3c(NC(=O)NC3=O)nc(-c4c(cccc4)OCc5ccccc5)c2)=O	7442
+CC(C)(C)OC(N1CC(n2nc(-c3ccc(cc3)Oc4c(ccc(F)c4)F)c5c(N)ncnc25)CCC1)=O	918
+CC(C)(C)OC(=O)N1CCCC(n2nc(-c3ccc(cc3)Oc4c(cccc4)F)c5c(ncnc25)N)C1	920
+Clc1ccc2c(nc(C3CNC(C)CC3)o2)c1	2
+FC(F)(F)c1ccc(NCC2CCC(CN2)C)nc1	2
+CC(C)(C)OC(N1CC(C(OC)CC1)CN=[N+]=[N-])=O	76
+CC(C)CC(C(NCC1C(O)CNC1)=O)NC(c2cc3ccccc3s2)=O	2
+CC(C)(C)OC(=O)N1CC(CC1C(N2CCSC2)=O)CNC(=O)c3cccc(-c4nnn[nH]4)c3	424
+FC(F)(F)C(=O)N(CC1CN(C(OC(C)(C)C)=O)CCC1)Cc2ncc3c(c2)OCCO3	7443
+CC(C)(C)OC(N1C(CCC(C1)COS(=O)(=O)C)C)=O	7
+CC(C)(C)OC(=O)N1CC(C(O)=O)CCC1C	1405
+CC(C)(C)OC(=O)N1c2c(ccc(c2)[N+](=O)[O-])C(CCl)C1	1507
+CC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)C(CO)C1	682
+CC(C)(C)OC(=O)N1CC(CSCc2ccccc2)CC1	786
+CC(C)(C)OC(=O)N1CCC(Cn2c(C)c(nc2-c3ccc(cc3)Br)C)C1	1193
+CC(C)(C)OC(=O)N1CC(CC1)CSCc2ccc(cc2)F	786
+CC(C)(C)OC(N1CCOC(CN=[N+]=[N-])C1)=O	133
+C1CC(F)(COc2c3cccnc3cc(-c4cnn(CC)c4)n2)CNC1	2
+c1(c(c(Cl)ccc1)-c2n(c3c(cnc(n3)NCc4cc(F)c(cc4)F)n2)CC5CNCCC5)F	2
+CC(C)(C)OC(N1CC(OCC1)Cn2ncc(c2)Nc3ncnc(Cl)n3)=O	4170
+CC(C)(C)OC(=O)N1CC(C(F)(C1)CN(C(C2CC(Nc3c2cccc3)=O)=O)C4CC4)Cc5ccccc5	10
+CC(C)(C)OC(N1CCC(C(F)(F)C1)CNc2nc(ncc2C=O)SC)=O	40
+CC(C)(C)OC(N1CC(F)(F)C(=O)CC1)=O	86
+CC(C)(C)OC(=O)N1CC(F)(F)CC1C=CC(OCC)=O	1667
+CC(C)(C)OC(N1CCC(C(C1)F)OS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1CCC(OC(=O)c2ccccc2)C(F)C1)=O	279
+CC(C)(C)OC(N1C2(COCCOC2)C(=O)N(CC(=O)O)C(c3cc(F)ccc3)C1)=O	4
+CC(C)(C)OC(=O)N1CC(CCC1CC(=O)O)N(C(OCc2ccccc2)=O)C(C)C	3
+CN(c1nc(cc2c1cccc2)C=3NC(=O)NN=3)C4CCNC4	2
+CC(C)(C)OC(=O)N1CC(N(C2CCC(C)(C)CC2)C(C)=O)CC1C(=O)O	4
+CC(C)(C)OC(=O)N1Cc2n(CC1)ccc2C#N	7444
+CC(C)(C)OC(=O)N1CC(C(=O)O)CC(N(C(=O)c2nc3c(cc(cc3)F)n2CCCCOC)CC(C)C)C1	4
+CC(C)(C)OC(=O)N1CC(C(OC)=O)N(C(=O)C=Cc2cccc(c2)Cl)CC1	325
+FC(F)(F)C(NCC1N(CCOCCO)CCN(C1)C(OC(C)(C)C)=O)=O	659
+c1ccccc1CN2CCNCC2C	2
+CC(C)(C)OC(N1CC2(CC2)N(Cc3ccccc3)CCC1)=O	4101
+CC(C)(C)OC(N1C(C)CN(C(C)C1)CCCN(C(=O)Nc2cc(Cl)c(cc2)F)C3COc4c(cc(Br)cc4)C3)=O	326
+c1cc(ccc1CN2CCNCC2C)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5	2
+CC(C)(C)OC(=O)N1C(CN(C(C1)CCl)Cc2ccccc2)C	1507
+CC(C)(C)OC(N1CCCC(C1)Nc2cc(nc(SC)n2)OC)=O	40
+CC(C)(C)OC(=O)N1CC(Nc2c3c(ccs3)ncc2[N+](=O)[O-])CCC1	1972
+CC(C)(C)OC(=O)N1CC(Nc2c(F)cnc(Cl)n2)CCC1	40
+CC(C)(C)OC(=O)N1CC(Nc2c3c(sc(Br)c3)c(cn2)C#N)CCC1	2500
+CC(C)(C)OC(N1CCCC(NC(c2c(N)ncc(Br)n2)=O)C1)=O	312
+CC(C)(C)OC(N1CCCC(Nc2c(F)cnc(-c3c4cc(cnc4n(S(=O)(=O)c5ccc(cc5)C)c3)Cl)n2)C1)=O	7445
+CC(C)(C)OC(N1CCCC(C1)Nc2nc(nc(c2)C)N=C(Nc3ccc(c(c3)Cl)Cl)N)=O	7446
+CC(C)(C)OC(=O)N1CC(CCC1)Nc2c3nc(-c4c(cccc4)Cl)n(c3ncn2)-c5ccc(cc5)Cl	516
+CC(C)(C)OC(N1CC(CCC1)NC(=O)c2ccc(cc2)I)=O	93
+CC(C)(C)OC(N1CCCC(Nc2nc(-c3cnc4ccc(cn34)C#N)ncc2)C1)=O	7447
+CC(C)(C)OC(=O)N1CC(CC(CN=[N+]=[N-])C1)N2C(c3c(noc3C)-c4c(Cl)cccc24)=O	133
+CC(C)(C)OC(=O)N1CC(NC(OCc2ccccc2)=O)C(C(Nc3ccccc3)=O)C1	33
+CC(C)(C)OC(N1CC(NC(=O)c2ccc(s2)Cl)CC1CNC(=O)C)=O	68
+CC(C)(C)OC(=O)N1CC(NC(=O)OCc2ccccc2)C(CC1)N	18
+CC(C)(C)OC(=O)N1CCN(C(c2ccc(cc2)Cl)=O)C(C(=O)OC)C1	4171
+CC(C)(C)OC(N1CCC(C(O)C1)N)=O	18
+CC(C)(C)OC(=O)N1CC(OC)C(CC1)N=[N+]=[N-]	76
+CC(C)(C)OC(=O)N1CC(O)CC(C1)C(OC)=O	167
+FC(F)c1cc(Nc2cc(C)cc(-c3nnn(CC4OCCNC4)c3)n2)ncc1	2
+CC(C)(C)OC(N1CC(Cn2ncc(N)c2)OCC1)=O	209
+CC(C)(C)OC(=O)N1CC(Cn2ncc(Nc3ncnc(N4CCN(CC4)c5ncc(cn5)C#CC6CC6)n3)c2)OCC1	436
+c1cc(ccc1)C(c2ccccc2)=Nc3ncc(cc3)C4CN(C(=O)OC(C)(C)C)CCO4	4156
+CC(C)(C)OC(N1CCOC(c2cnc(Nc3ncc(Cl)cc3)cc2)C1)=O	346
+CC(C)(C)OC(N1CC(C(c2ccc(cc2)O)CC1)OCc3ccc4c(cccc4)c3)=O	1691
+CC(C)(C)OC(=O)N1CC(CC(N=[N+]=[N-])C1)C(OC)=O	298
+CC(C)(C)[Si](C)(C)OC1CN(C(OC(C)(C)C)=O)CC(CNc2c3nccnc3cc(Cl)n2)C1	1679
+CC(C)(C)OC(N1CC(O[Si](C)(C)C(C)(C)C)CC(C1)CN)=O	18
+O=S(=O)(c1ccccc1Cl)C2CC(NC2)C(OC)=O	4084
+CC(C)(C)OC(=O)N1c2c(c3c(cccc3)c(c2)NC(=O)OCC(SSc4ccccn4)C)C(CCl)C1	3929
+CC(C)(C)OC(=O)N1CC(CCl)c2c1cc(c3ccccc23)NC(=O)OCC4c5ccccc5-c6ccccc46	90
+CC(C)(C)OC(N1CC(CCl)c2c3cccnc3c(cc12)O)=O	321
+c1ccccc1COc2c3c(cccn3)c4c(NCC4CCl)c2	396
+c1ccccc1COc2c3c(cccn3)c4C(CCl)CN(C(=O)c5[nH]c6c(c5)cc(OCCN(C)C)cc6)c4c2	7448
+c12ccccc1[nH]cc2C3C(CNC3)c4c5cccc6CCCn(c4)c56	2
+CC(C)(C)OC(N1CC(OC)c2cc(ccc2C1)OCC3CC3)=O	76
+CC(C)(C)OC(N1CC(O)c2c(C1)ccc(O)c2)=O	16
+CC(C)(C)OC(=O)N1CC(c2c(ccc(OC)c2)C1)CO	21
+CC(C)(C)OC(N1CCC(c2ccc(cc2)B3OCC(CO3)(C)C)C1)=O	734
+c1ccccc1C2C(CNC2)CN3CCC4(CC3)CCN(Cc5ccc(cc5)Br)C4=O	2
+CC(C)(C)OC(=O)N1CC(CC1C)c2ccccc2	2836
+c1cc(ccc1)C2CNCCN2CC	2
+c1cc(ccc1-c2nn(C3CNCCC3)c4ncnc(N)c24)Oc5c(ccc(F)c5)F	2
+CC(C)(C)OC(=O)N1CC2(CC(C2)O)C1	100
+CC(C)(C)OC(=O)N1CC2(CC(C2)Nc3c(-c4ccc(cc4)Oc5ccccc5)c(N)ncn3)C1	4172
+CC(C)(C)OC(N1CC2(CC(C2)n3cc(Br)cn3)C1)=O	1647
+C1C2(CN1C(OCC)=O)Oc3c(C(=O)C2)cc(cc3)C=CC(=O)OC	7449
+CC(C)(C)OC(=O)N1CC2(C1)OCc3c2cnc(C=O)c3	1406
+CC(C)(C)OC(N1CC2(C1)CC(C2)Nc3c(Cl)c(ncn3)N)=O	7450
+C1C2(CC1N3CCC(CC3)C(=O)OCC)CCNC2	2
+CC(C)(C)OC(N1CC2(C1)CC(C2)n3ncc(-c4cc(OC(C)c5c(ccc(F)c5Cl)Cl)c(nc4)N)c3)=O	4109
+CC(C)(C)OC(N1CCC(C2(CC2)C1)(O)c3ccc(cc3)Cl)=O	251
+CC(C)(C)OC(N1CC2(CCCC2)C(Nc3nc(ncc3C)Cl)C1)=O	40
+CC(C)(C)OC(=O)N1CC2(CCCC2)C(Nc3nc(Nc4cn(C)nc4)ncc3C)C1	486
+C1CC2CC(CC1N2C(OCC)=O)N3CCC4(CC3)c5c(CNC4)cccc5	2
+CC(C)(C)OC(N1CC2(CN(c3cnc(Oc4ccc(cc4)Oc5cc(ccc5)F)c(C(=O)N)c3)CC2)CC1)=O	2682
+c1cc(ccc1Oc2c(C(=O)N)cc(N3CCC4(C3)CCNC4)cn2)Oc5cc(ccc5)F	2
+CC(C)(C)OC(=O)N1CC2(CN(C2)C(NCc3ccc(cc3Cl)Cl)=O)C1	384
+CC(C)(C)OC(=O)N1CC2(CN(C2)C3CCN(CC3)Cc4ccccc4)C1	85
+c1c(cc2c(c1)N(CC23CNCC3)C(Nc4ncc(Cl)s4)=O)Br	2
+CC(C)(C)OC(N1CC2(c3cc(Br)ccc3N(C(Nc4ncc(Cl)s4)=O)C2)CC1)=O	2143
+CC(C)(C)OC(N1CC2C(C1)c3c(CO2)cc(O)cc3)=O	16
+FC(F)(F)C(=O)NCC1C2CC(C)CC2CN1C(=O)OC(C)(C)C	605
+FC(F)(F)c1ncc(nc1)NCC2CC3C(CN2)C3	2
+CC(C)(C)OC(=O)N1CC2C(CC(C2)N)C1	273
+FC(F)(F)c1ccc(NCC2CC3C(CN2)C3)nn1	2
+CC(C)(C)OC(=O)N1CC2CC(CCC2C1)=O	86
+C1C2CNCC2CN1C(c3c(-c4nnc[nH]4)cccc3)=O	2
+CC(C)(C)OC(=O)N1CC2N(C(Cc3c2cn[nH]3)C1)S(=O)(=O)c4ccc(cc4)Cl	7451
+CC(C)(C)OC(N1C(CNCc2ccccc2)C3C(CC(C3)C)C1)=O	110
+c1cc(ccc1)C2(C3CNCC3CC(C2)CC#N)O	2
+CC(C)(C)OC(N1CC2CC(CC(C1)N2S(=O)(=O)c3ccc(cc3)Cl)=O)=O	92
+CC(C)(C)OC(N1CC2CC(CC(C1)N2)=O)=O	25
+CC(C)(C)OC(N1CC2CC(C(C(C1)N2S(=O)(=O)c3ccc(cc3)Cl)C=O)=O)=O	7452
+CC(C)(C)OC(N1CC2CC(CC2C1)Nc3c(cnc(Nc4ccc5c(C)n(C)nc5c4)n3)Cl)=O	55
+C1C2C(CC1Nc3c(cnc(Nc4ccc5c(C)n(C)nc5c4)n3)Cl)CNC2	2
+CC(C)(C)OC(=O)N1CC2C(C1)CCC(Nc3c(cnc(n3)Cl)Cl)C2	40
+CC(C)NC(=O)CNC(=O)c1cc(N2C3CNC(C3)C2)ccc1[N+](=O)[O-]	2
+CC(C)(C)OC(N1C(CN2C(c3ccccc3C2=O)=O)CC4CC4C1)=O	332
+CC(C)(C)OC(=O)N1CC2CN(CC(C1)O2)CCN(S(=O)(=O)C)CCOc3ccc(cc3)C#N	28
+C12CNCCN1C(COC2)=O	2
+c1cc(ccc1)C(=O)NC2=NC3(CNCC3CS2)c4cnccn4	2
+c1cc(ccc1CN2C3CC(C2)NC3)C(OC)=O	2
+CC(C)(C)OC(=O)N1CC2C(CC1)CN2C(c3cccc(F)c3-n4nccn4)=O	30
+CC(C)(C)OC(=O)N1CC2c3c(cc(c(c3)N)N)C(C1)C2	0
+CC(C)(C)OC(N1CCC(CC1)c2ccccc2C#N)=O	191
+CN(c1ncc2c(c1)n(cn2)C)c3ccc(C4=CCNCC4)cc3CC	366
+C1=C(CCNC1)c2cc(ncn2)Nc3ccc4c(nccc4)c3	366
+c1cc(cc(-c2ncnc3c2cc(C4=CCNCC4)[nH]3)c1OC)F	366
+C1CN(CCC1Oc2sc3cc(C=4CCNCC=4)ccc3n2)c5nnc(C)s5	366
+C1CN(CCC1Oc2sc3cc(C=4CCNCC=4)ccc3n2)c5onc(C(C)C)n5	366
+CC(C)(C)OC(N1CC=C(CC1)c2cc(c(N(c3cc4n(C)cnc4cn3)C)cc2)CC)=O	1121
+CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)C(C)C(OC)=O	191
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc3c(OCC=4N3C(C)C(=O)NN=4)cc2	191
+CC(C)(C)OC(=O)N1CC=C(c2sc(nn2)-c3ccc(-n4cccn4)cc3OC)CC1	4173
+CC(C)n1c2c(c(C(NCc3c(nc(C)cc3C)O)=O)cc(n2)C=4CCNCC=4)cn1	366
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(-c3ccccc3F)cc4OCC5=NNC(=O)C(N5c4c2)C	191
+CC(C)(C)OC(N1CC=C(CC1)c2ccc(c(c2)CC)Nc3cc4c(cn3)ncn4C)=O	1504
+c1cc(ccc1)-c2nc(-c3c(N)ncc(C4=CCNCC4)n3)no2	366
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(-c3ncccn3)c(N)nc2	671
+C=1CNCCC=1c2cnc(cc2)[N+]([O-])=O	366
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc3ccc(c4OCC(c5ncccc5)n2c34)-c6c(noc6C)C	4174
+CC(C)(C)OC(N1CCC(CC1)c2ncc(C(=O)Nc3cn4c(cc3)nc(C)c4)cc2)=O	1676
+CC(C)(C)OC(=O)N1CCC(CC1)c2cnc(C(OC)=O)cn2	7453
+CC(C)(C)OC(N1CCC(c2cccc(N)c2)=CC1)=O	2144
+CC(C)(C)OC(N1CC=C(CC1)c2c(C#N)cccc2)=O	2144
+n1cc(cnc1N2CCOC(Cn3c4nc(-c5cn(C)nc5)cnc4nn3)C2)C=6CCN(CC=6)C	352
+CC(C)(C)OC(N1CCC(c2scc(C(O)=O)c2)=CC1)=O	6
+CC(C)(C)OC(N1CC(F)C(O)CC1)=O	100
+CC(C)(C)OC(N1Cc2nc(COc3ccccc3)oc2CC1)=O	7454
+CC(C)(C)OC(=O)N1CC(C(=O)C1)=CN(C)C	7455
+CC(C)(C)OC(=O)N1CCC(C(O)C)C1	100
+CC(C)(C)OC(=O)N1CC(CC1)C(=O)C=CN(C)C	7456
+CC(C)(C)OC(N1CCC(C(C1)CO)OCOC)=O	95
+CC(C)(C)OC(N1CC(C(CC1)NC(=O)OCc2ccccc2)C(OCC)=O)=O	101
+CC(C)(C)OC(N1CCC(C(F)C1)NC(OCc2ccccc2)=O)=O	101
+CC(C)(C)OC(N1CCC(C(F)C1)NCc2ccccc2)=O	42
+CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])C(F)C1	298
+CC(C)(C)OC(=O)N1CC(C(CC1)NC(OCc2ccccc2)=O)OC	101
+CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccccc2)C(OC)C1	93
+CC(C)(C)OC(N1CCC(C(COc2ccc(cc2C#N)SCc3ccccc3)C1)c4ccc(cc4)Cl)=O	1524
+c1ccccc1COC(=O)NC2CCNCC2F	2
+CC(C)(C)OC(N1CCC(C(C1)F)N)=O	273
+CC(C)(C)OC(N1CC(C(CC1)N)N(C)C)=O	102
+CC(C)(C)OC(N1CCC(O)C(NC(COc2ccccc2)=O)C1)=O	68
+CC(C)(C)OC(N1CC(OCc2ccc3c(cccc3)c2)C(c4ccc(cc4)OCC=C)CC1)=O	149
+CC(C)(C)OC(N1CC(C(CC1)c2cccc(c2)CO)OCc3cc(OCc4ccccc4)c5ccccc5c3)=O	98
+CC(C)(C)OC(=O)N1CC(CC1)CC(OCC)=O	456
+CC(C)(C)OC(N1CCC(Nc2nc(C=3NNC(=O)N=3)cc4ccc(Cl)cc24)C1)=O	4175
+n1c2ccccc2c(cc1-c3ccccc3O)NC4CNCC4	2
+FC(F)(F)c1ccccc1OC2CNCC2	2
+CC(C)(C)OC(N1CCC(c2nc3ccnn3c(c2)N)C1)=O	1994
+c12nnc(n1cc(cc2)F)C3CCNC3	2
+C[Si](C)(C)C#Cc1n(C2CCN(C2)C(=O)OC(C)(C)C)c3c(c(ncn3)N)c1-c4ccc(cc4)Oc5ccccc5	7457
+CC(C)(C)OC(N1CC(CC1)n2c3ncnc(N)c3c(-c4ccc(cc4)Oc5ccccc5)c2C#N)=O	7458
+CC(C)(C)[Si](C)(C)OC1CCN(C(OC(C)(C)C)=O)C1C(O)=O	19
+C1CC12CNCCC2(O)c3ccc(cc3)Cl	2
+CC(C)(C)OC(N1CCC(CC1)(C#N)CCSc2ccc(cc2)SC)=O	7459
+CC(C)(C)OC(=O)N1CCC(CC1)(CC=O)C(OC)=O	1981
+CC(C)(C)OC(=O)N1CCC(CC1)c2c3c(ncn2)cc(cc3)F	7460
+C1CNCCC1(c2ccc(cc2)Cl)C(C)(C)O	2
+CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)-c3ccccc3)C(O)=O	4
+CC(C)(C)OC(=O)N1CCC(CC1)(C)C#C	1596
+CC(C)(C)OC(=O)N1CCC(CC1)(CO)CCC=C	95
+CC(C)(C)OC(N1CCC(CC1)(C#N)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1CCC(CC1)(F)CNC(=S)NC(=O)OCC2c3ccccc3-c4c2cccc4	7461
+CC(C)(C)OC(N1CCC(CC1)(c2ccc(cc2)I)CN(C(Nc3cc(Cl)cc(Cl)c3)=O)C)=O	326
+CC(C)(C)OC(=O)N1CCC(CC1)(F)CN2C(=O)c3c(C2=O)cccc3	332
+FC(F)(F)c1cc(cc(COCC2(CCN(CC2)C(OC(C)(C)C)=O)c3c(Br)cc(F)cc3)c1)-c4ccc(cc4)C#N	149
+C[Si](C)(C)CCOCn1nc2c(cc(F)cc2c1)C(C)OCC3(CCN(CC3)C(OC(C)(C)C)=O)c4ccc(cc4)F	7462
+C1CC(CCN1)(CO)c2ccc(cc2)SC	2
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(cc(c3)Br)F)=O	149
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(cc(Br)c3)-c4ccc(cc4)F)=O	149
+CC(C)(C)OC(=O)N1CCC(CC1)(C)CCC=C	2836
+C1CC(CCN1)(Cc2ccc(cc2)F)C#N	2
+CC(C)(C)OC(N1CCC(CC1)(O)Cc2nc(Nc3nccs3)ccc2)=O	4176
+CC(C)(C)OC(=O)N1CCC(CC1)(CO)NC(OCc2ccccc2)=O	101
+C1CNCCC1(CF)NC(OCc2ccccc2)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)(C#C)O[Si](C)(C)C	4177
+CC(C)(C)OC(N1CCC(CC1)(O)C#C)=O	1407
+CC(C)(C)OC(=O)N1CCC(CC1)(OC)C	76
+C1CC(CCN1)(O)Cc2nc(Nc3nccs3)ccc2	2
+CC(C)(C)[Si](C)(C)OC1(CCN(CC1)C(=O)OC(C)(C)C)c2[nH]c(-c3ccc(c(C)c3)F)cn2	19
+CC(C)(C)OC(N1CCC(CC1)(C(C)(C)O)c2ccc(cc2)Cl)=O	736
+c1cc(ccc1I)C2(CCNCC2)CN(C(Nc3cc(Cl)cc(Cl)c3)=O)C	2
+CC(C)(C)OC(N1CCC(CC1)(CO)c2ccc(cc2)SC)=O	237
+C1CNCCC1(C#N)c2ncccc2	2
+CC(C)(C)OC(N1CCC(CC1)(c2cc3c(cnc(c3)-c4ccc(cc4)S(=O)(=O)C)o2)C)=O	140
+C1CC(CCN1)(O)c2scc(-c3c(c4c(N(C(C)CC4)C(OC)=O)cc3)OC5CCC5)n2	2
+CC(C)(C)OC(=O)N1CCC(CC1)=CC#Cc2cc(F)cc(F)c2	7463
+CC(C)(C)OC(N1CCC(CC1)CC#N)=O	3674
+CC(C)(C)OC(=O)N1CCC(CC1)(CC#N)n2nc(N)c(C(=O)N)c2	2525
+CC(C)(C)OC(N1CCC(CC1)Cc2nc3c(nc(Cl)nc3N4CCOCC4)cc2)=O	7464
+CC(C)(C)OC(=O)N1CCC(CC1)NCC(C)C	87
+CC(C)(C)OC(=O)N1CCC(=O)C(C(C(=O)OCC)=O)C1	3834
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(Oc3ccc(Br)cn3)ccc2	846
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(ccc2)Oc3ncc(C)cc3	846
+CC(C)(C)OC(=O)N1CCC2(CC1)OC2	2113
+CC(C)(C)OC(N1CC2(CC2)C(CC1)=O)=O	7465
+CC(C)(C)OC(N1CCC(CC1)(O)C#C[Si](C)(C)C)=O	7466
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cc(Cl)cc2)C=CC(=O)OCC)=O	231
+FC(F)(F)c1c(C2(CCN(CC2)C(=O)OC(C)(C)C)O)cccc1	251
+FC(F)(F)c1cc(c(cc1)Sc2ccc(cc2)Cl)C3(CCN(CC3)C(=O)OC(C)(C)C)O	251
+FC(F)(F)c1nc(C2(CCN(CC2)C(=O)OC(C)(C)C)O)ccc1	938
+CC(C)(C)OC(=O)N1CCC(CC1)NC	87
+CC(C)(C)OC(N1CCC(CC1)N(C)C(c2ccc3c(non3)c2)=O)=O	7467
+CC(C)(C)OC(N1CCC(CC1)=CC#N)=O	1573
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(c([N+]([O-])=O)cc2F)F	846
+CC(C)(C)OC(=O)N1Cc2c3c([nH]c2CC1)cc(Br)cc3	518
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3cc(C#N)ccc3[nH]c2	888
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3ccccc3[nH]c2	888
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(cc(C#N)cc2)Oc3c(Br)cccc3	231
+CC(C)(C)OC(N1CCC(CC1)(Cc2nc(Cl)ccc2)O)=O	7468
+CC(C)(C)OC(=O)N1CCC(CC1)NCCc2ccccc2[N+](=O)[O-]	87
+CC(C)(C)OC(N1CCC2(CC1)CC(=O)c3c(ccc(c3)Br)O2)=O	2003
+c1cc(ccc1)CN(Cc2ccccc2)C(COC(N3CCC(CC3)=O)=O)C	7469
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccc(cc2)F	231
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccc(cc2)SC	231
+CC(C)(C)OC(N1CCC2(CC1)Nc3c(C(=O)N2)sc(-c4ccncc4)c3)=O	3347
+CC(C)(C)OC(=O)N1CCC(CC1)N2CCN(C(OCc3ccccc3)=O)C(C2)C(=O)N4CCOCC4	85
+CC(C)(C)OC(=O)N1CCC(CC1)(O)c2ccc(cc2)Oc3ccccc3	1035
+CC(C)(C)OC(=O)N1CCC(CC1)=C	7470
+CC(C)(C)OC(=O)N1CCC(CC1)(O)c2nccn2C	7471
+CC(C)(C)OC(=O)N1CCC(CC1)C(=NO)N	609
+CC(C)(C)OC(N1CCC(CC1)(c2ncccc2)C#N)=O	4178
+CC(C)(C)OC(N1CCC(CC1)(Cc2ccc(cc2)F)C#N)=O	7472
+CC(C)(C)OC(N1CCC(CC1)C(=O)CC(=O)Cc2ccccc2)=O	3739
+CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(Nc3n2nc4cc(C)cc(c34)Br)=O	4179
+CC(C)(C)OC(=O)N1CCC(CC1)C=2n3c(c4c(cccc4n3)Br)NC(C=2)=O	4179
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(Cc3ccccc3)n(n2)CC	7473
+CC(C)(C)OC(=O)N1CCC(CC1)C=2n3nc4nccnc4c3NC(C=2)=O	7474
+C1CNCCC1C(N2CC(C(c3cc(c(Cl)cc3)Cl)C2)C(Oc4ccc(C#N)cn4)C)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNCc2ccc(cc2)Cl	15
+CC(C)(C)OC(=O)N1CCC(CC1)c2nnc(CCl)o2	1037
+C1CC(CCN1)C(Nc2cc(ncn2)-c3ccccc3OCC)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)(C(OC)=O)Cc2ccc(cc2)F	1161
+CC(C)(C)OC(N1CCC(CC1)(C(OC)=O)Cc2ccc(cc2)-c3ccccc3)=O	1161
+CC(C)(C)OC(=O)N1CCC(CC1)(CCOc2ccccc2)C(OCC)=O	1232
+CC(C)(C)OC(=O)N1CCC(CC1)(C(OCC2CCCCC2)=O)Cc3ccc(cc3)C#N	1161
+C1CC(CCN1)C(C(=O)OCC)CC	2
+CC(C)(C)OC(N1CCC(CC1)C(O)CN2CCN(CC2)c3ccc(cc3)S(=O)(=O)C)=O	100
+C1CC(CCN1)C(=O)N2Cc3ccc(C(OC)=O)cc3OCC2C	2
+C1CNCCC1C(=O)N2CCC2	2
+c1cc(ccc1)CN2CCN(CC2)C(=O)C3CCNCC3	2
+CC(C)(C)OC(N1CCC(CC1)C(NNC(c2c(N)ncc(Br)c2)=O)=O)=O	2716
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc(C)nn2	1037
+CC(C)(C)OC(=O)N1CCC(CC1)c2oc(-c3c(N)ncc(Br)c3)nn2	2145
+C1CC(CCN1C(=O)c2cc(c(C)cc2)NC(=O)C3CCNCC3)c4ccc(cc4)-c5cnn(c5)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)C(NCc2c(cccc2)C(F)(F)F)=O	9
+CC(C)(C)OC(=O)N1CCC(CC1)c2onc(n2)Cc3cccnc3	2584
+CC(C)(C)OC(N1CCC(CC1)C(NNC(C)=O)=O)=O	1038
+CC(C)(C)OC(N1CCC(CC1)C(=O)Nc2cc(ncn2)-c3ccccc3OCC)=O	142
+CC(C)(C)OC(N1CCC(CC1)C(=O)C2C(OC(OC2=O)(C)C)=O)=O	3363
+CC(C)(C)OC(=O)N1CCC(CC1)C(Nc2c(N)ccc(-c3c4ccc(F)cc4n(S(=O)(=O)c5ccccc5)c3)c2)=O	33
+CC(C)(C)OC(=O)N1CCC(CC1)C(Nc2ccc(c(Cl)c2)Cl)=O	33
+CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2Cc3cc(c(cc3CC2)OC)OC	10
+CC(C)(C)OC(N1CCC(CC1)C(N2C(C)COc3cc(C(OC)=O)ccc3C2)=O)=O	10
+CC(C)(C)OC(N1CCC(CC1)C(=O)N2CC(C(Oc3ccc(C#N)cn3)C)C(c4cc(c(Cl)cc4)Cl)C2)=O	10
+CC(C)(C)OC(=O)N1CCC(CC1)C(Nc2ccc(cc2)C(C)C)=O	33
+CC(C)(C)OC(N1CCC(CC1)C(Nc2c(ccc(C(=O)N3CCC(CC3)c4ccc(cc4)-c5cnn(C)c5)c2)C)=O)=O	33
+CC(C)(C)OC(N1CCC(CC1)C(=O)NCc2ccc(cc2)Cl)=O	9
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)COc3ccc(cc3)S(=O)(=O)C	1166
+CC(C)(C)OC(=O)N1CCC(CC1)C(Nc2c(C(N)=O)c(-c3ccccc3)ccc2)=O	33
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCN(CC3)C(OC(C)(C)C)=O)=O	9
+CC(C)(C)OC(N1CCC(CC1)C(F)CN2CCN(CC2)c3ccc(cc3)S(=O)(=O)C)=O	2124
+CC(C)(C)OC(=O)N1CCC(CC1)C(c2ccc(cc2)Br)O	74
+CC(C)(C)OC(=O)N1CCC(CC1)C2C(C2)COCc3ncc(cc3)Br	1896
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CC(C(NCCC(OCC)=O)=O)CCC2)=O)=O	9
+CC(C)(C)OC(N1CCC(CC1)C=CC(=O)N2CC(C(O)=O)CCC2)=O	3
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CC(CCC2)C(=O)NCCC(O)=O)=O)=O	3
+C1CC(CCN1)C=CC(N2CC(CCC2)C(=O)NCCC(O)=O)=O	2
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CCCC(C2)C(NC(C#C)CC(=O)OCCCCC)=O)=O)=O	27
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CCCC(C2)C(NC(C#C)CC(=O)O)=O)=O)=O	3
+CC(C)(C)OC(N1CCC(CC1)CCc2cc3c(o2)ccc(S(=O)C)c3)=O	7475
+CC(C)(C)OC(N1CCC(CC1)C=Cc2oc3c(cc(cc3)S(=O)C)c2)=O	357
+CC(C)(C)OC(=O)N1CCC(CC1)CC#Cc2c3c(c(nc(CCCC)n3)N)n(COCc4ccccc4)c2	3885
+CC(C)(C)OC(N1CCC(CC1)CC(=NO)N)=O	609
+CC(C)(C)OC(N1CCC(CC1)CC(Nc2nccc(Oc3cc(Cl)c(cc3)N)c2)=O)=O	142
+CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)Nc2ccc(cc2)S(=O)(=O)C	33
+C1CC(CCN1)CC(C#N)NC(=O)C2CCCCC2NC(c3n(C)c4ccccc4c3)=O	2
+CC(C)(C)OC(N1CCC(CC1)CC(Nc2cc(Oc3ccc(NC(Oc4ccccc4)=O)c(Cl)c3)ccn2)=O)=O	90
+C1CNCCC1CC2CCN(CC2)C(C)C	2
+C1CNCCC1CC2CCN(CC2)C3CCC3	2
+C1CNCCC1CC2CCN(CC2)CC	2
+CC(C)(C)OC(N1CCC(CC1)CC2CCN(CC2)C(C)C)=O	2689
+CC(C)(C)OC(N1CCC(CC1)CC2CCN(CC2)CC)=O	183
+FC(F)(F)c1ccc(cc1)C=CCC2CCN(CC2)C(=O)OC(C)(C)C	3386
+CC(C)(C)OC(=O)N1CCC(CC1)CCCCN	51
+CC(C)(C)OC(=O)N1CCC(CC1)CCCN2C(=O)c3c(N=C2C)c(OC)ccc3	7476
+CC(C)(C)OC(N1CCC(CC1)CCCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)N1CCC(CC1)CCCOc2cc(ccc2)CC(=O)OC	20
+CC(C)(C)OC(N1CCC(CC1)CCCC#N)=O	300
+CC(C)(C)OC(N1CCC(CC1)CCI)=O	343
+CC(C)(C)OC(N1CCC(CC1)CCc2oc3ccc(cc3c2)S(=O)(=O)C)=O	2146
+C1CNCCC1CCc2noc3c(CO)c(ccc23)OCC4CC4	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(ncc2[N+]([O-])=O)Nc3ncc(C#N)nc3	2785
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2cc(ncc2Cl)Nc3ncc(C#N)nc3	7477
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ncc(cn2)-c3ccc(cc3)S(=O)(=O)C	537
+CC(C)(C)OC(=O)N1CCC(CC1)COc2c([N+]([O-])=O)cnc(Br)c2	260
+CC(C)(C)OC(=O)N1CCC(CC1)COS(=O)(=O)c2ccc(cc2)C	1293
+CC(C)(C)OC(=O)N1CCC(CC1)COc2ccc3c(ncnc3Nc4[nH]nc(c4)CC(Nc5c(c(F)ccc5)F)=O)c2	126
+CC(C)(C)OC(N1CCC(CC1)COc2c3c(cccc3)c(Cl)cc2C(NC(C)(C(=O)OCC)CC)=O)=O	20
+CC(C)(C)OC(=O)N1CCC(CC1)COc2ccc(nc2)Cl	981
+CC(C)(C)OC(=O)N1CCC(CC1)COS(=O)(=O)c2ccc(cc2)C	36
+C1CNCCC1COC2CC2	2
+C1CC(CCN1)COCCN2CCCC2	2
+CC(C)(C)OC(N1CCC(CC1)COc2cc(Nc3cnc(C#N)cn3)ncc2N)=O	13
+C1CNCCC1COc2c(C(NC(C)(C(=O)OCC)CC)=O)cc(Cl)c3ccccc23	2
+CC(C)(C)OC(N1CCC(CC1)COc2cc(ncc2NC(=O)CN(C)C)Nc3cnc(C#N)cn3)=O	469
+CN(C)CC(=O)Nc1c(cc(nc1)Nc2cnc(C#N)cn2)OCC3CCNCC3	2
+C1CN(CCO1)c2nc(Cl)nc3ccc(CC4CCNCC4)nc23	2
+FC(F)(F)C(N(C1CCNCC1)C2CC2)=O	2
+C1CNCCC1N(C)CCc2ccc(cc2)Oc3ccccc3	2
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CCCCC2)CC=O	378
+CC(C)(C)OC(N1CCC(CC1)N(C2CCCCC2)CC(N(OC)C)=O)=O	978
+c1cc(ccc1[N+]([O-])=O)CN(C2CCNCC2)C(c3ccc(cc3)CCCCC)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c2cc(ccc2)OC(C)(C)C(OCC)=O	14
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(c(cn2)Cl)-c3cnc(n3C(C)C)C)=O	96
+CC(C)(C)OC(N1CCC(CC1)NC(=O)N2Cc3c(C(=O)N)c(nn3CC2)-c4cccc(F)c4)=O	1893
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccncc2[N+](=O)[O-]	105
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(nc(n2)OC)Cl)=O	387
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)C(OC(C)(C)C)=O)=O	282
+CC(C)(C)OC(=O)N1CCC(CC1)NC(c2ccc(cc2)Nc3ncc4c(n3)N(CC(F)(F)C(N4C)=O)C5CCC5)=O	14
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(c(F)cc2[N+](=O)[O-])C)=O	60
+CC(C)(C)OC(N1CCC(CC1)Nc2c(c(F)cc(c2)OC)[N+](=O)[O-])=O	60
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ncc(c(c2)I)Cl	182
+CC(C)(C)OC(=O)N1CCC(CC1)NCc2cc(ccc2F)-c3ccnc(Cl)n3	42
+CC(C)(C)OC(N1CCC(CC1)NS(=O)(=O)c2ccc(cc2CBr)Br)=O	71
+CC(C)(C)OC(N1CCC(CC1)Nc2ncc(C(c3ccccc3OC)=O)c(n2)N)=O	7478
+CC(C)(C)OC(N1CCC(CC1)Nc2ncnc3n(S(=O)(=O)c4ccc(cc4)C)ccc23)=O	974
+CC(C)(C)OC(N1CCC(CC1)Nc2ccc(C)cc2[N+](=O)[O-])=O	60
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(c(Cl)cc2[N+]([O-])=O)OC)=O	60
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c([N+](=O)[O-])cc(Br)cn2	340
+CC(C)(C)OC(N1CCC(CC1)Nc2c([N+](=O)[O-])c(F)cc(c2)C3CC3)=O	60
+CC(C)(C)OC(N1CCC(CC1)NC(=O)Nc2c(c(c(cc2I)C)F)F)=O	282
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccc(C(=O)c3c(F)cccc3)c(N)n2	70
+CC(C)(C)OC(=O)N1CCC(CC1)NCC(COc2ccccc2)O	122
+CC(C)(C)OC(N1CCC(CC1)Nc2c([N+]([O-])=O)cnc3c2ccn3S(=O)(=O)c4ccccc4)=O	2048
+CC(C)(C)OC(N1CCC(CC1)NC(=O)Cc2ccc(cc2)C#N)=O	9
+CC(C)(C)OC(N1CCC(CC1)NC(Cc2ccc(cc2)Cl)=O)=O	9
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4c(c(ncn4)NC5CCN(CC5)C(=O)OC(C)(C)C)c3	40
+CC(C)(C)OC(N1CCC(CC1)Nc2oc(-c3ccc(cc3)F)cn2)=O	7479
+CC(C)(C)OC(=O)N1CCC(CC1)NCc2ccc(cc2)[N+]([O-])=O	42
+CC(C)(C)OC(N1CCC(CC1)NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)=O	71
+CC(C)(C)OC(=O)N1CCC(CC1)NCC(COc2ccncc2)O	122
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(ccn2)N(C)c3cc4n(C)cnc4c(c3)-c5ccccc5)=O	306
+CC(C)(C)OC(=O)N1CCC(CC1)NCc2ccccc2	42
+CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c2n(Cc3cc(on3)-c4ccc(Cl)s4)c5c(cccc5)c2	81
+CC(C)(C)OC(=O)N1CCC(CC1)NCc2c3c(nc(n3CC)-c4c(N)non4)cnc2	2590
+CC(C)(C)OC(N1CCC(CC1)N2C(c3c(cc(n3C(C)C)-c4c(OC)nc(nc4)OC)C2=O)c5ccc(cc5)Cl)=O	7480
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(c3c(N(Cc4onc(CC)n4)C2=O)cc(-c5ccc(F)c(F)c5)s3)=O	268
+CC(C)n1c(cc2C(N(C3CCNCC3)C(c4ccc(cc4)Cl)c12)=O)-c5c(OC)nc(nc5)OC	2
+C1CC(CCN1)N2C(C(Oc3cc(F)c(S(=O)(=O)C)cc3F)CC2)=O	2
+C1CNCCC1N2CCC3(CC2)OC(Nc4ccccc34)=O	2
+C1CC1CN2CCN(CC2)C3CCNCC3	2
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2)=O	7481
+c1cc(ccc1C#N)CC(NC2CCNCC2)=O	2
+C1CC(CCN1)NC(N2Cc3c(C(=O)N)c(nn3CC2)-c4cccc(F)c4)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(Nc3c(c(F)c(cc23)C)F)=O	7482
+C1CC(CCN1)NC(Cc2ccc(cc2)Cl)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CC2)C(=O)c3ncn(-c4ccc(cc4)S(=O)(=O)C)c3	777
+CC(C)(C)OC(=O)N1CCC(CC1)N(C(=O)c2ncn(-c3c(cc(cc3)C#N)F)n2)C4CC4	2090
+CC(C)(C)OC(=O)N1CCC(CC1)N(C2CCC(CC2)C)C(Nc3sc(cn3)C=O)=O	7483
+CC(C)(C)OC(N1CCC(CC1)N(C2CCCCC2)CC(OCC)=O)=O	7484
+C1CNCCC1NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3c(c(N4CCOCC4)nc(-n5c6cccc(c6nc5C(F)F)OC)n3)nn2	4180
+CC(C)(C)OC(=O)N1CCC(CC1)n2c(nc3c2ccc(C)c3)-c4ccccc4	1301
+CC(C)(C)OC(=O)N1CCC(CC1)N2c3c(NC2=O)cc(c(OC)c3)Cl	7485
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(C3CC3)cc(F)c2N)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cnc3n(ccc23)S(=O)(=O)c4ccccc4)N)=O	13
+CC(C)(C)OC(N1CCC(CC1)Nc2c(c(cc(OC)c2)F)N)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2ccc(cc2CCC(OCC)=O)Cl)=O	159
+C1CCCC1CC(=O)Nc2cnc3n(ccc3c2NC4CCNCC4)S(=O)(=O)c5ccccc5	2
+CC(C)(C)OC(N1CCC(CC1)Nc2cccc3c2ccnc3NCc4ccc(cc4)OC)=O	70
+C1CC(CCN1)Nc2cccc3c2ccnc3N	2
+CC(C)(C)OC(=O)N1CCC(CC1)N2C(Nc3c2cc(C4CC4)cc3F)=O	1019
+CC(C)(C)OC(N1CCC(CC1)Nc2c(N)cc(Cl)c(OC)c2)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cc(c(c2)C)F)N)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2c(N)cc(C)cc2)=O	0
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cc(cc2)Cl)CCC(=O)O)=O	3
+CC(C)(C)OC(N1CCC(CC1)Nc2c3ccnc(c3ccc2)N)=O	755
+CC(C)(C)OC(=O)N1CCC(CC1)n2c3nc(Cl)nc(N4CCOCC4)c3nn2	4180
+C1CNCCC1Nc2nc(N)c(C(c3cc(ccc3)F)=O)s2	2
+C1CC(CCN1)Nc2ncc(Cl)c(-c3cnc(n3C(C)C)C)n2	2
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(Cl)nc(N3CCOCC3)c2N)=O	193
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(nc(c2[N+]([O-])=O)N3CCOCC3)-n4c5c(c(ccc5)OC)nc4C(F)F)=O	1098
+CC(C)(C)OC(N1CCC(CC1)Nc2c(N)c(N3CCOCC3)nc(n2)-n4c(C(F)F)nc5c4cccc5OC)=O	193
+C1CC(CCN1)Nc2nc3c(ccc(OCC#N)c3)o2	2
+C1CC(CCN1)Nc2ncc(C(c3ccccc3OC)=O)c(n2)N	2
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(ccn2)C(=O)O)=O	1
+C1CNCCC1Nc2ncnc3n(S(=O)(=O)c4ccc(cc4)C)ccc23	2
+CC(C)(C)OC(N1CCC(CC1)Nc2nnc(o2)-c3c(cc(Nc4cc5c(ncs5)cc4)nc3)NC(C)C)=O	201
+C1CNCCC1Nc2nnc(o2)-c3c(cc(Nc4cc5c(ncs5)cc4)nc3)NC(C)C	2
+CC(C)(C)OC(N1CCC(CC1)Nc2nc3c(ccc(OCC#N)c3)o2)=O	489
+C1CC(CCN1)Nc2nc3c(cccc3[N+](=O)[O-])o2	2
+C1CNCCC1OC(Nc2ccccc2C3CCCCC3)=O	2
+C1CNCCC1Oc2c(F)c(C(Nc3ccc(cc3)C#N)C(=O)OCC)cc(OCC)c2	2
+CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(N(c3c(cc(C#N)cc3)F)C=C2)=O	4181
+C1CNCCC1Oc2ccc(cc2)N3C(C)=Nc4ccccc4C3=O	2
+c1cc(ccc1N2CCN(C(OCc3ccccc3)=O)CC2=O)OC4CCNCC4	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cc2)NC(=O)C3CNC3	62
+CC(C)(C)OC(N1CCC(CC1)Oc2ncc(N)c3ccccc23)=O	13
+CC(C)(C)OC(N1CCC(CC1)Oc2nnc(c(-c3cc(-c4occn4)c(cc3)OC5CCCCC5)c2)CCCC)=O	7486
+CC(C)(C)OC(=O)N1CCC(CC1)Sc2ncnc(Cl)c2C	2147
+c1cc(ccc1F)Nc2nc(cs2)CSc3c(c(C4CCNCC4)c(c(N)n3)C#N)C#N	2
+CC(C)(C)OC(N1CCC(CC1)c2c(C#N)c(nc(N)c2C#N)SCc3nc(sc3)Nc4ccc(cc4)F)=O	2837
+CC(C)(C)OC(=O)N1CCC(CC1)c2ncc(cc2)Nc3nc(c(C)cn3)C#Cc4ccccc4CC(OC)=O	949
+C1CC(CCN1)c2ccccc2C#N	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(COS(=O)(=O)C)cccc2	710
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(COc3ccc(cc3)S(=O)(=O)C)cs2	2088
+C1C(CC1)N2CCc3c(CC2)sc(n3)C4CCNCC4	2
+C1CC(CCN1)c2ccc(cn2)C(=O)Nc3cn4c(cc3)nc(C)c4	2
+C1CNCCC1n2c(Sc3c(cc4OCOc4c3)Br)nc5c(ncnc25)N	2
+C1CNCCC1n2ncc(c2)-c3c(c4c(cc3)N(C(C)CC4)C(OC)=O)OCCC	2
+C1CC(CCN1)n2ncc(Nc3nc(CCc4ccccc4C5(CC5)C(N)=O)c(cn3)C)c2	2
+C1CC(CCN1)n2ncc3cc(OCC(NCC(O)CN4Cc5c(cccc5)CC4)=O)ccc23	2
+c1cc(ccc1Br)C(=O)N(C2C(CNCC2)c3ccc(c(c3)Cl)Cl)C	2
+CC(C)(C)OC(N1CC(N(C)c2c3ccccc3cc(C=4NC(=O)NN=4)n2)CC1)=O	7487
+CC(C)(C)OC(=O)N1CCC(CC1C(=O)OC)N	18
+CC(C)(C)OC(N1CC(NC(=O)COCCO)CC1)=O	118
+c1ccccc1COC(NC2CCNC2)=O	2
+CC(C)(C)OC(N1CCC(Nc2c3c(ccc(F)c3)cc(C(N)=NN)n2)C1)=O	2838
+CC(C)(C)OC(N1CCC(Nc2nc(cc3cccc(c23)Cl)C(=NN)N)C1)=O	2838
+CC(C)(C)OC(N1CCC(C1)Nc2c3cc(Cl)ccc3cc(C(N)=NN)n2)=O	2838
+c1cncc2cccc(NC3CNCC3)c12	2
+CC(C)(C)OC(N1CC(Nc2c3c(Cl)cccc3cc(n2)C=4NNC(=O)N=4)CC1)=O	4175
+C1CCCCC1Oc2ccc(cc2)-c3cc(OCC4CNCCC4O)nnc3CCCC	2
+CC(C)(C)OC(=O)N1CC(C(OC)CC1)COc2nnc(CCCC)c(-c3ccc(cc3)OC4CCCCC4)c2	76
+CC(C)(C)OC(N1CCC(=O)C(C1)NC(=O)COc2ccccc2)=O	86
+c1ccccc1C(=O)OC2C(F)CNCC2	2
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OC3CCN(C(OC(C)(C)C)=O)C3	624
+CC(C)(C)OC(=O)N1CCC(Oc2ccc(cc2)F)C1	624
+C1CCCN(CC1)C(=O)c2csc(c2)C3=CCNCC3	366
+CC(C)(C)OC(N1CCC(c2ccc(cc2)-c3c(cc4c(c(C=O)c[nH]4)c3)Cl)C1)=O	749
+c1cc(ccc1C2CCNCC2(F)F)OCc3ccccc3	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2cc(N)ccc2	191
+CC(C)(C)OC(N1CCC1COc2cnc(Cl)c(c2)CC)=O	1661
+CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(C)CC2	782
+C1CNCCC12CC(c3cccc(c23)Br)C(C(OCC)=O)C	2
+CC(C)(C)OC(=O)N1CCC2(CC1)CC=C(c3ccccc23)C(=O)O	127
+CC(C)(C)OC(N1CCC2(CCC(CC2)N(C)c3nc(Cl)ncc3C)CC1)=O	54
+CC(C)(C)OC(N1CCC2(CC1)CCC(CC2)Nc3nc(ncc3Cl)Nc4ncn(c4)C)=O	7488
+CC(C)(C)OC(=O)N1CCC2(CC1)C(N(CCC2)Cc3cn(c4ccccc34)S(=O)(=O)c5ccc(cc5)C)=O	7489
+CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(Cc3c(cccc3)-n4nccn4)CCC2	806
+CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c3ccc(c(C)n3)S(=O)(=O)C)C2	361
+CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(c3ccc(cc3)-c4oc5c(C(C)C)cc(C#N)cc5n4)=O)C2	30
+CC(C)(C)OC(N1CCC2(CC1)COc3cc(ccc23)OCc4c(Cl)cccc4Cl)=O	657
+CC(C)(C)OC(=O)N1CCC2(CC1)CCCC(=O)N2Cc3cccc4n(S(=O)(=O)c5ccc(cc5)C)ccc34	7490
+CC(C)(C)OC(=O)N1CCC2(CC1)NC(C(N2Cc3ccccc3)=O)Cc4ccccc4	4183
+c1cc(ccn1)-c2sc3C(=O)NC4(CCNCC4)Nc3c2	2
+CC(C)(C)OC(N1CCC2(CC1)CC(C(O)=O)=NO2)=O	3
+C1CNCCC12CC(=O)c3c(O2)ccc(C=CC(=O)OC)c3	2
+CC(C)(C)OC(N1CCC2(CC1)Oc3c(C(C2)=O)cc(C=CC(O)=O)cc3)=O	127
+C1CC2(CCN1CCc3cc(ccc3)OC)CC(c4cc(ccc4O2)C=CC(=O)OC)=O	2587
+C1CC2(CCN1CCCc3ccccc3)CC(c4cc(ccc4O2)C=CC(=O)OC)=O	2587
+C1CNCCC12c3c(cccc3)C(C(N(C)C)=O)=CC2	2
+CC(C)(C)OC(N1CCC2(CC1)c3n(c(cc3)C#N)-c4c(cc(COC(C)=O)cc4)O2)=O	283
+C1CNCCC12c3ccc(n3-c4c(O2)cc(COC(C)=O)cc4)C#N	2
+CC(C)(C)OC(N1CCC2(CCC(CC2)N)CC1)=O	316
+CC(C)(C)OC(N1CCC2(CC1)CCC(CC2)NC)=O	87
+C1CC2(CCN1)CCC(CC2)C(OC)=O	2
+CC(C)(C)OC(N1CCC2(CCC(CC2)N(C)c3nc(ncc3C)Nc4cn(C)nc4)CC1)=O	486
+C1CC2(CCC1N(C)c3nc(ncc3C)Nc4cn(C)nc4)CCNCC2	2
+CC(C)(C)OC(N1CCC2(CC1)CCC(CC2)Nc3nc(ncc3Cl)Cl)=O	40
+c1cc(ccc1)CN2CCC3(CCC2)Oc4c(cc(cc4)C=CC(=O)OC)C(C3)=O	7491
+C1CCC(C1)N2C3C(C(c4c5c([nH]c4)cc(cc5)F)C2)NCC3	2
+CC(C)(C)OC(N1C2C(CC1)CN(C(=O)OCc3ccccc3)C2)=O	613
+CC(C)(C)OC(=O)N1C2CN(C2CC1)c3nc(c(C(=O)OCC)s3)C	641
+c1cc(ccc1F)-n2ncc3c2C=C4C(C(c5ccccn5)=O)(CNCC4)C3	2
+c1cc(ccc1F)-n2c3C=C4CCNCC4(COCC)Cc3cn2	2
+C1CC1COCC23CN(S(=O)(=O)c4ccc(cc4)Br)CCC2=Cc5n(ncc5C3)-c6ccc(cc6)F	7492
+C1CCCN1C(C2CCCNC2)=O	2
+CC(C)(C)OC(=O)N1CC(CCC1)C(=O)c2cc(cc(Cl)c2)F	586
+CC(C)(C)OC(=O)N1CC(CCC1)C(=O)c2cc(Cl)ccc2	586
+CC(C)(C)OC(=O)N1CC(CCC1)C(=O)c2cc(F)ccc2C	586
+CC(C)(C)OC(N1CC(CCC1)C(=O)c2ccccc2Oc3ccccc3)=O	7493
+Clc1cccc(c1)C(CCCCOC)(C2CCCNC2)OC	2
+c1c(Cl)c(c(cc1)Cl)-c2n(CC3CCCNC3)c4nc(NCc5ccc(F)c(F)c5)ncc4c2Br	2
+CC(C)(C)OC(=O)N1CCCC(Nc2c(c(OC)nc(N3CCOCC3)n2)I)C1	1154
+CC(C)(C)OC(=O)N1CC(CCC1)Nc2c(c(OC)nc(n2)SC)I	1154
+c1cc(cc(c1Cl)Cl)N=C(N)Nc2nc(cc(n2)C)NC3CCCNC3	7494
+c1ccccc1COC(C(C)(C)Oc2cccc(C3CCCNC3)c2)=O	2
+CC(C)(C)OC(=O)N1CC(CCC1)c2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2	4184
+c1cc(ccc1)COC(=O)N2CCN(CC2)CC3CCCNC3	2
+c1ccccc1COC(NCC2CNCCC2)=O	2
+CC(C)(C)OC(N1CC(CCC1)CNc2nc(ncc2N)NCc3cc(c(F)cc3)F)=O	193
+CC(C)(C)OC(N1CCCC(NC(=O)c2c(ncc(n2)-c3cc(ccc3)CO)N)C1)=O	356
+CC(C)(C)OC(N1CCCC(Nc2c(cnc(-c3c[nH]c4ncc(cc34)Cl)n2)F)C1)=O	392
+c1cc(ccc1C)S(=O)(=O)n2c3ncc(cc3c(-c4ncc(F)c(NC5CNCCC5)n4)c2)Cl	2
+Clc1cnc2[nH]cc(-c3nc(c(cn3)F)NC4CNCCC4)c2c1	2
+n1c2ccc(C#N)cn2c(-c3nccc(n3)NC4CNCCC4)c1	2
+C1CCN(C1)CCOc2nc(nc(NC3CCCNC3)c2)-c4cnc5n4cc(F)cc5	2
+CC(C)(C)OC(N1CCCC(c2nc(N)nc(-c3c(O)cccc3O)c2)C1)=O	16
+CC(C)(C)OC(N1c2c(cc(Br)cc2)C(C(CC1)C(=O)OC)=O)=O	1985
+CC(C)(C)OC(N1CCCC(c2cc(-c3c(cccc3O)OCc4ccc(cc4)C)nc(N)n2)C1)=O	22
+CC(C)(C)OC(N1CCCC1(Cc2ccc(cc2)-c3ccc(F)cn3)C(NCC(=O)CC(C)(C)CC)=O)=O	86
+CC(C)(C)OC(N1CCCC1(C(=O)NCC(CC(C)(C)CC)O)Cc2ccc(cc2)-c3ccc(F)cn3)=O	4185
+CC(C)(C)OC(=O)N1CCCC1(c2nc(CC(C)(C)CC)c[nH]2)Cc3ccc(cc3)-c4ccc(F)cn4	4186
+CC(C)(C)OC(N1C2(CCC1)CN(CC2)c3ccc([N+]([O-])=O)c(OC(C)C)c3)=O	34
+CC(C)(C)OC(=O)N1C(CCC1)c2cc3c(o2)cc(Cl)c(Cl)n3	7495
+c1cc(ccc1Cl)-c2cccc(NC(C3NCCC3)=O)c2	255
+c1cc(ccc1Cl)-c2cccc(NC(=O)C3CCCN3C(=O)C(NC(=O)OC)C(C)C)c2	2654
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)Oc3ccc(cc3)-c4cnccc4)=O	754
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCc3ccc(cc3)C(F)(F)F)=O	22
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCC#Cc3ccc(cc3)Br)=O	121
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)O)=O	16
+CC(C)(C)OC(N1C(c2sc(-c3nc4cccc(c4[nH]3)C(N)=O)cc2)CCC1)=O	7496
+CC(C)(C)OC(N1CCCC1c2ccc(s2)C(O)=O)=O	1
+CC(C)(C)OC(=O)N1CCCC2CNCC12	25
+CC(C)(C)OC(N1CCCCC1C(NC(CC)C=CC(O)=O)=O)=O	127
+CC(C)(C)OC(=O)N1C(CCCC1)C(NC(Cc2ccc(nc2)Br)C#N)=O	143
+CC(C)(C)OC(=O)N1CCCCC1C(=O)NC(C=CC(=O)N2CCc3c2cccc3)CC	7497
+CC(C)(C)OC(=O)N1C(Cc2oc3ccccc3n2)CCCC1	1692
+CC(C)(C)OC(=O)N1C(CCCC1)CCOc2c(c(O)nc3c2cc([N+]([O-])=O)c(Cl)c3)-c4cc(C)cc(C)c4	1175
+FC(F)(F)c1ccn2cc(nc2c1)CC3CCCCN3	2
+o1c(-c2cc(ccc2)C#N)cc(C3NCCCC3)n1	2
+CC(C)(C)OC(=O)N1CCCN(CC1)c2nc(cc3ccccc23)C(=O)c4c(nccc4)F	7498
+CC(C)(C)OC(N1CCCN(c2nc3ccccc3n2CCn4ccnc4)CC1)=O	1193
+c1ccccc1COC(=O)N2CCNCC2C(Nc3ccc(cc3)Cl)=O	2
+O=S(=O)(N1C(C(OCC)=O)CNCC1)c2ccc(cc2)OCC#CC	2
+C1(C(=O)OCC)N(CCc2ccc3c(c2)OCCO3)CCNC1	2
+CC(C)(C)OC(N1CC(N(CC1)CCOCCO)CN)=O	51
+c1ccccc1COC(N2CCNCC2C(N(C)OC)=O)=O	2
+c1cc(ccc1)COC(N2C(CNCC2)c3ccccc3)=O	2
+CC(C)(C)OC(N1CCN(CC1C(=O)c2oc3ccccc3c2)C)=O	7499
+CC(C)(C)[Si](C)(C)OCC1CN(CCN1C2COC2)C(OC(C)(C)C)=O	19
+C1CN(CCN1)C(C2N(CCCC2)C)=O	2
+C1CN(CCN1)C(=O)C2Cc3c(ccc(Cl)c3)O2	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2oc(nn2)C3CCC4N(C(=O)N3C4)OCc5ccccc5	7500
+C1CNCCN1C(Nc2noc3c2cccc3)=O	2
+FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N4CCNCC4)cn1	2
+c1cc(ccc1S(=O)(=O)NCC(C(=O)OC)(C(=O)OC)N2CCNCC2)OCC#CC	2
+CC(C)(C)OC(=O)N1CCN(CC1)C(C(OC)=O)(C(OC)=O)CN	45
+CC(C)(C)OC(N1CCN(CC1)C(C2CCCCN2)=O)=O	679
+C1CN(CCN1)C(=O)CCc2c3C(=O)CCCc3[nH]c2	2
+CC(C)(C)OC(N1CCN(CC1)C(Cn2c3c(c(Cl)ncc3)cc2)=O)=O	7501
+C1CN(CCN1)C(=O)CN2Sc3c(C2=O)cccc3	2
+CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(Cc2ccc(cc2)Cl)CCN(CC)CC	776
+CC(C)(C)OC(N1CCN(CC1)C(Cn2ccc3c(nccc23)Nc4ncc(C#N)s4)=O)=O	7502
+CC(C)(C)OC(N1CCN(CC1)C(CN)c2ccccc2F)=O	51
+C1CN(CCN1)C(c2c3c(n(-c4ccccc4)c2Oc5c(ccc(F)c5)C)cnc(c3)OC)=O	2
+C1CNCCN1C(=O)c2c3n(c(-c4ccccc4)c2Cc5c(C)c(F)ccc5)ccc(Br)c3	2
+CC(C)(C)OC(=O)N1CCN(CC1)C2(CC2)C(=O)N3CC(S(=O)(=O)c4ccccc4Cl)CC3C(NC5(CC5)C#N)=O	348
+C1CN(CCN1)C2(Cc3cccc(Cl)c3)C(=O)Nc4cc(Cl)ccc24	2
+c1cc(ccc1Cl)CN2C=NC(N3CCNCC3)=NC2=O	2
+C1CN(CCN1)C2c3c(cccc3)CCCC2	2
+C1CN(CCN1)CC(N(C2CCc3ccc(cc3C2)OC)CCC)=O	2
+C1CN(CCN1CC(CNC(OCc2ccccc2)=O)O)C	352
+CC(C)(C)OC(N1CCN(CC1)CCCN=[N+]=[N-])=O	310
+CC(C)(C)OC(N1CCN(CC1)CCCN2C(C(c3c(c(OC)cc(OC)c3Cl)Cl)=Cc4c2nc(nc4)SC)=O)=O	7503
+CC(C)(C)OC(N1CCN(CC1)CCCNc2ncc(c(-c3cc4ccc(cc4s3)C(NC)=O)n2)C)=O	96
+CC(C)(C)OC(N1CCN(CC1)CCCN)=O	18
+CC(C)(C)OC(N1CCN(CC1)CCCI)=O	343
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCCN3CCN(CC3)C(=O)OC(C)(C)C	2666
+CC(C)(C)OC(N1CCN(CC1)Cc2sc3c(nc(nc3N4CCOCC4)-c5cnc(nc5)N)c2C)=O	2685
+C1CNCCN1Cc2c(cc(cc2)-c3cc(ncc3)C)F	2
+c1c(F)c(c(cc1)F)C(Nc2cn[nH]c2-c3[nH]c4ccc(cc4n3)CN5CCNCC5)=O	2
+FC1(F)C(CN2c3c(nc(-c4c(C)ccc(CN5CCNCC5)c4)cc3)N(S2(=O)=O)C)C1	2
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)C(C=Cc3cnc(C=CC(=O)O)cc3)=O)=O	4187
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)Nc3c(c(nc(n3)N4CCOCC4)C=CN(C)C)C(OCC)=O)=O	1693
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(cc5)CN6CCNCC6)s4)ncc3	2
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc3c(nc(-c4cc(N)ccc4)o3)n2)=O	0
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc3c(nc(o3)-c4cccc(c4)NC(=O)c5cccc(c5)N(C)C)n2	50
+CC(C)(C)OC(N1CCN(CC1)Cc2cnc(c(c2)B(O)O)F)=O	2698
+C1CN(CCN1)Cc2cc(cnc2)C(=O)OC	2
+C1CN(CCN1c2c(Br)cnc(N)c2[N+]([O-])=O)Cc3cscn3	7504
+n1cc(cnc1N)-c2nc3c(c(CN4CCNCC4)sc3c(n2)N5CCOCC5)C	2
+O=S(=O)(c1c2ccccc2ccc1)N3CCNCC3	2
+C1CN(CCN1)c2c(C)cc(C)cn2	2
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(N3CC(C)OC(C)C3)cc2)C4CCC(C)(C)CC4)=O	79
+CC(C)(C)OC(N1CCN(CC1)c2c(c(ncn2)N)C=NOCC)=O	7505
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(OCc3ccccc3)ccc2NC(c4c5ccccc5ccc4)=O	50
+C1CNCCN1c2c(C=NOCC)c(ncn2)N	2
+C1CNCCN1c2c(cc(cn2)CC(CO)O)F	2
+C1CN(CCN1)c2ccc(N3CC(C)OC(C)C3)cc2C4CCC(C)(C)CC4	2
+CC(C)(C)OC(N1CCN(CC1)c2c(C)cc(cn2)C)=O	4188
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(cn2)C(N(C)OC)=O)Cl)=O	1012
+C1CNCCN1c2c(cccc2[N+](=O)[O-])Cl	2
+CC(C)(C)OC(N1CCN(CC1)c2c(-c3ccccc3)cnc4c2c(OC)nn4Cc5ccc(cc5)OC)=O	7506
+CC(C)(C)OC(N1CCN(CC1)c2c(nc(Br)cn2)NN)=O	2839
+CC(C)(C)OC(N1CCN(CC1)c2ncc(Br)n3c2nnc3)=O	4189
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(Nc4nc(S(=O)(=O)C)nc(c4C#N)CC)C)=O	528
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(Nc4c(C#N)c(CC)nc(N)n4)C)=O	1408
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(C)Nc4c(C#N)c(CC)nc(n4)SC)=O	40
+C1CNCCN1c2cccnc2-c3ccc(cc3)F	2
+CC(C)(C)OC(N1CCN(CC1)c2c3c(ncc2-c4ccccc4)n[nH]c3I)=O	4190
+CC(C)(C)OC(N1CCN(CC1)c2c(cnc3c2c(I)nn3Cc4ccc(cc4)OC)-c5ccccc5)=O	7507
+CC(C)(C)OC(N1CCN(CC1)c2nc(-c3ccsc3)cn4c2nnc4)=O	7508
+CC(C)(C)OC(N1CCN(CC1)c2ncnc3n(c(Cl)nc23)C)=O	7509
+CC(C)(C)OC(N1CCN(CC1)c2cc(Br)cc3c2nc(cc3)C=O)=O	501
+CC(C)(C)OC(N1CCN(CC1)c2cc(C(N)=O)c(c(-c3cc(F)ncc3)n2)-c4ccccc4)=O	169
+CC(C)(C)OC(N1CCN(CC1)c2cc3nc(-c4c(I)ccnc4OC)[nH]c3c(C)c2)=O	1637
+CC(C)(C)OC(N1CCN(CC1)c2c(N)ccc(c2)OCc3ccccc3)=O	0
+CC(C)(C)OC(N1CCN(CC1)c2cc(ccc2OC)N)=O	0
+CC(C)(C)OC(N1CCN(CC1)c2cc(C)c(N)c(c2)N)=O	0
+CC(C)(C)OC(N1CCN(CC1)c2cc(C(O)=O)c(-c3ccccc3)c(n2)-c4ccnc(F)c4)=O	1
+CC(C)(C)OC(N1CCN(CC1)c2c(OC)ccc(c2)NS(=O)(=O)c3cccc(c3)OC(F)F)=O	69
+CC(C)(C)OC(N1CCN(CC1)c2nc(-c3cc(ncc3)Cl)c(-c4ccc(cc4)F)cc2)=O	89
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cn2)C#Cc3ncc(cc3)C(F)(F)F	943
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cc(C(=O)OC)cc2)N	0
+C[Si](C)(C)C#Cc1cnc(N2CCN(CC2)C(OC(C)(C)C)=O)cc1	1042
+CC(C)(C)OC(N1CCN(CC1)c2ccc(Nc3ncc4c(C)c(n(C5CCCC5)c4n3)C(=O)NNC(=O)C)nc2)=O	4191
+CC(C)(C)OC(N1CCN(CC1)c2ccc(Nc3nc4n(c(C(=O)O)c(c4cn3)C)C5CCCC5)nc2)=O	1
+C1CNCCN1c2ccc(cc2)-c3c4c5c(scc5)c(O)nc4ccc3OC	2
+c1cc(ccc1N2CCNCC2)-c3ccc(cc3)CNC(C(=O)NCC#N)CC(C)C	2
+CC(C)CC(Nc1ccc(cc1)-c2ccc(cc2)N3CCNCC3)C(NCC#N)=O	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)-c3ccc(cc3)CNC(C(=O)NCC#N)CC(C)C)=O	11
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)-c3ccc(cc3)NC(C(NCC#N)=O)CC(C)C)=O	11
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2)-c3c(cccc3)CC(C(NCC#N)=O)CC(C)C	11
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2)-c3ccc(Cl)c(N4C(C(NCC#N)=O)CC(C4)C)c3	11
+C1CN(CCN1)c2ccc(cc2)C(=O)O	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)C(=O)O)=O	6
+c1cc(ccc1C2=NCCO2)N3CCNCC3	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)Nc3nc4N(CC)C(C(c5sccn5)=Cc4c(C)n3)=O)=O	4169
+c1cc(ccc1N2CCNCC2)Nc3nc4N(CC)C(C(c5sccn5)=Cc4c(C)n3)=O	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)OCC(O)(C)CCOCc3ccccc3)=O	626
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)OCC(O)(CCO)C)=O	118
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)OCC(O)(CCOS(=O)(=O)c3ccc(cc3)C)C)=O	36
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)OCC(C)(CCn3c(Cl)nc([N+](=O)[O-])c3)O)=O	2840
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2C(O)=O)F)=O	1
+CC(C)(C)OC(N1CCN(CC1)c2ccc3c(c(nn3CC(C)C)S(=O)(=O)c4c5c(ccc4)cccc5)c2)=O	2437
+CC(C)(C)OC(N1CCN(CC1)c2cccc3cc[nH]c23)=O	4192
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(-c3[nH]c4ccccc4n3)ccc2	4193
+c1cc(ccc1)Sc2c3c(c(ccc3)N4CCNCC4)[nH]c2	2
+CC(C)(C)OC(N1CCN(CC1)c2cccc3c2[nH]cc3Sc4ccccc4)=O	7510
+C1CNCCN1c2c3ccc(nc3ccc2)C	2
+C1CNCCN1c2c(N(S(=O)(=O)C)C)cccc2	2
+C1CN(CCN1)c2c(OCOCCOC)cccc2	2
+CC(C)(C)OC(N1CCN(CC1)c2c(nccc2)-c3ccc(cc3)F)=O	140
+CC(C)(C)OC(N1CCN(CC1)c2ccnc(n2)-c3c(F)c(ccc3)F)=O	345
+C1CN(CCN1)c2nc(ncc2)-c3c(F)c(ccc3)F	2
+C1CN(CCN1)c2cnc(Br)cc2	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(nc2)CCc3ccc(cc3)CO	4195
+CC(C)(C)OC(N1CCN(CC1)c2cnc(C=Cc3ccc(cc3)CO)cc2)=O	3443
+CC(C)(C)OC(N1CCN(CC1)c2nc(cnc2)OC)=O	799
+CC(C)(C)OC(N1CCN(CC1)c2cncc(n2)N(Cc3nc(C)ccc3)C)=O	317
+C1CNCCN1c2cncc(n2)N(Cc3nc(C)ccc3)C	2
+C1CNCCN1c2nc(cc(C(C)C)n2)Nc3ccc(cc3)C	2
+C1CNCCN1c2noc(C(C)C)n2	2
+CC(C)(C)OC(N1CCN(CC1)c2nc(nc(n2)O)Cl)=O	7511
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc(n2)N3CC4CCC(C3)O4)-c5ccc(cc5)N	1582
+C1CCCCC1Nc2nccc(-c3nc(cc(c3-c4ccccc4)C(N)=O)N5CCNCC5)c2	2
+C1CCCCC1Nc2nccc(-c3cccc(n3)N4CCNCC4)c2	2
+CC(C)(C)OC(N1CCN(CC1)c2nc(-c3cc(ncc3)Cl)ccc2)=O	1238
+C1CNCCN1c2nc(cnc2)OC	2
+C1CN(CCO1)c2nc(-n3c(nc4c(cccc34)OC)C(F)F)nc(n2)N5CCNCC5	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc(N(C)CCCc3ccc(cc3)Cl)n2)NCCc4ccc(cc4)O	387
+CC(C)(C)OC(N1CCN(CC1)c2nc(ncn2)O)=O	4196
+CC(C)(C)OC(N1CCN(CC1)C2=NC(=O)N(Cc3ccc(cc3)Cl)C=N2)=O	7512
+C1CN(CCN1)c2nc(O)c3CCCN(C)c3n2	2
+C1CN(CCO1)c2cncc(c2)Nc3c(C)c(nc4c3c(cc(F)c4)F)N5CCNCC5	2
+C1CN(CCN1)c2ccc(-c3nc(OC(C4CNC(=O)C4)C)c5c(c3)ncn5C)cn2	2
+C1CN(CCN1)c2ncc(cc2)[N+](=O)[O-]	2
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cn2)OCc3cnc(nc3)Cl)=O	1897
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cn2)OCc3cnc(nc3)N)=O	911
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cn2)OCc3cnc(nc3)NC(C(C)C)=O)=O	784
+C1CNCCN1c2cc(ccn2)-c3c(F)c(F)ccc3	2
+C1CCCCN1c2c(nccn2)N3CCNCC3	2
+c1cc(ccc1-c2ncnc(N3CCNCC3)c2)F	2
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(-c3ccc(cc3)F)c2)=O	7513
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(NCC(=O)OCC)c2N)=O	193
+C1CN(CCN1)c2cc(O)ncn2	2
+c1cc(ccc1)-c2cc(N3CCNCC3)nnc2C#N	2
+CC(C)(C)OC(N1CCN(CC1)c2nnc(C#N)c(c2)-c3ccccc3)=O	2660
+c1cc(ccc1)CN2CCNC(C2)C	2
+CC(C)(C)OC(N1C(COC)CN(C(=O)c2cc(OC)c(c(c2)OC)OC)CC1)=O	76
+CC(C)(C)OC(N1CCN(CC2(CCN(CC2)c3ncncc3)O)C(=O)C1)=O	511
+C(=C)CN1CCNCC1=O	255
+C1C(CC1)N2CCCNCC2	2
+c1cc(N2CCCNCC2)ncc1Br	2
+CC(C)(C)OC(=O)N1CCNCC1CCCC	25
+c1cc(ccc1F)S(=O)(=O)N2C(C(OCC)=O)CNCC2	2
+C1CN(CCN1C(OCc2ccccc2)=O)c3ccc(cc3)N4CCNc5ccccc45	396
+CC(C)(C)OC(=O)N1CCN(C(CC)C1)c2ccc([N+]([O-])=O)nc2	244
+CC(C)(C)OC(N1CC(C(N(C)Cc2nc3c(cc2)SCC(N3)=O)=O)OCC1)=O	10
+CC(C)(C)OC(=O)N1CC(OCC1)C(NCCc2cc(c([N+]([O-])=O)cc2Cl)OC)=O	9
+CC(C)(C)OC(N1CC(C(=O)OCc2ccccc2)OCC1)=O	283
+CC(C)C1OCCNC1	2
+CC(C)(C)OC(=O)N1CC(OCC1)CNC(Nc2ccc(cc2)Cl)=O	282
+CC(C)(C)OC(=O)N1CCOC(C1)CNc2nc(Cl)cc3nccnc23	1679
+CC(C)(C)OC(N1CC(OCC1)Cn2cc(nn2)-c3nc(cc(C)c3)Nc4cc(C(F)F)ccn4)=O	2743
+CC(C)(C)OC(N1CCOC(Cc2ccc(cc2)O)C1)=O	16
+c1nc(ncc1Br)N2CC(Cn3c4nc(-c5cn(C)nc5)cnc4nn3)OCC2	4106
+CC(C)(C)OC(N1CC(C(OCC1)c2cc(Cl)c(Cl)cc2)COS(=O)(=O)C)=O	7
+c1nc(Nc2ncc(cc2)Cl)ccc1C3OCCNC3	2
+c1cc(ccc1-c2c3c(N)ncnc3n(C4COCCNC4)n2)Oc5ccccc5	2
+O=S(=O)(C1CC1)NCC2NCCOC2	2
+c1(-c2ccc(-c3ccc4OCCNCc4c3)cn2)ncc[nH]1	2
+FC(F)(F)c1c2c(n[nH]1)CN(CC2)C	352
+CC(C)(C)OC(N1CCc2ccc(c(CSc3ccc(cc3)-c4nc(NCC5CC5)sc4)c2CC1)Cl)=O	607
+CC(C)(C)OC(N1CCc2c(CC1)ccc(Cl)c2CS)=O	7514
+c1ccccc1COc2cc3CCNCCc3cc2	2
+CC1(C)OB(OC1(C)C)c2ccc3CCN(C(OC(C)(C)C)=O)CCc3c2	425
+c1cc(ccc1NS(=O)(=O)C)-n2nc3c(c2)CCNCC3	2
+CC(C)(C)OC(N1CCc2c3c(n(CCN)c2CC1)cccc3)=O	18
+CC(C)(C)OC(N1CCc2c(CC1)n(c3c2cccc3)CCN=[N+]=[N-])=O	133
+CC(C)(C)OC(N1CCc2c(c3N(CCCc3cc2CC1)C(=O)C(C)C)Cl)=O	192
+CC(C)(C)OC(=O)N1CCc2onc(c2C1)C(O)=O	6
+CC(C)(C)OC(N1CCc2c(CC1)n(c3ccccc23)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1CCc2ccc(CCOS(=O)(=O)c3ccc(cc3)C)cc2C1)=O	36
+CC(C)(C)OC(N1CCc2c(cc(COS(=O)(=O)C)s2)C1)=O	7
+CC(C)(C)OC(N1CCc2ccc(cc2C1)C(O)=O)=O	1
+CC(C)(C)OC(N1CCc2c(c(Cl)c3NCCCc3c2)CC1)=O	15
+CC(C)(C)OC(N1CCc2ccc(-c3noc(-c4cc(c(OC(C)C)cc4)C#N)n3)c(C)c2CC1)=O	7515
+C1C(CN1c2c3CCNCCc3nc4ccnn24)C(N5CC(C#C)CC5)=O	2
+c1cc(ccc1-c2sc3CNCCc3n2)OC4CC(C4)N5CCCCC5	2
+c1cc(cc2CCNc12)-c3cccc4c3c(nn4C)N	396
+CC(C)(C)OC(=O)N1c2c(cc(C(=O)O)cc2)CC1	1
+CC(C)(C)OC(N1CCc2c(c3c(cccc3)n2CCNC(=O)Nc4ccccc4)CC1)=O	282
+CC(C)(C)OC(N1CCc2n(CCNC(=O)c3ccccc3)c4ccccc4c2CC1)=O	93
+N1Cc2sc3ncc(c(Nc4cc(Cl)c(F)cc4)c3c2CC1)C#N	2
+CC(C)(C)OC(=O)N1Cc2n(c3c(cc(cc3)Br)c2CC1)C	144
+CC(C)(C)OC(N1CCc2c(c3c(cccc3)n2CCO)CC1)=O	665
+CC(C)(C)OC(N1CCc2c1ccc(-c3c4c(n(nc4N)C)ccc3)c2)=O	7516
+n1c2cc3c(cc2oc1C)CCNCC3	2
+CC(C)(C)OC(N1CCc2ccc(cc2C1)CCN3C=CC(OCc4ccccc4)=CC3=O)=O	7517
+CC(C)(C)OC(=O)N1CC2CN(Cc3ccccc3)c4c2c(ccc4Cl)CC1	507
+CC(C)(C)OC(=O)N1CCc2c(cc(OCC3CCN(CC3)c4ccncc4)cc2)C1	126
+CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Oc3ncc(Br)cc3	136
+CC(C)(C)OC(N1CCc2c(CC1)ccc(OCc3ccccc3)c2)=O	22
+c1cc(ccc1SCc2c3c(CCNCC3)ccc2Cl)-c4nc(NCC5CC5)sc4	2
+CC(C)(C)OC(N1CCc2c(ccc(c2C)C(N)=NO)CC1)=O	253
+FC(F)(F)CCN1CCN(CC1)c2c(ccc(Cl)c2)NC(=O)c3ccc4c(c3)CN(C(OC(C)(C)C)=O)CC4	67
+CC(C)(C)OC(N1CCc2ccc(C(OCC3CCN(CC3)c4ccncc4)=O)cc2C1)=O	1533
+c1cc(ccc1)COC=2C=CN(CCc3ccc4CCNCc4c3)C(=O)C=2	2
+N1Cc2c3c(n(C)c2CC1)c(C)ccc3F	2
+C1COCCC1n2c3c(c(N4CCCc5c4cc(c(Br)c5)C#N)n2)CNCC3	2
+C1c2n3c(ccn3)ncc2CNC1	2
+c1cc(C#N)cc2C(c3nc4CCNCc4cc3)C(=O)Nc12	2
+O=S(=O)(C)c1nc(-c2c(Cl)cc(cc2)Cl)c3c(CCNC3)n1	2
+c1cc(ccc1C(=O)NC)-n2nc3c(c2)CCNCC3	2
+CC(C)(C)OC(N1CCc2nn(-c3ccc(cc3)C(=O)NC)cc2CC1)=O	14
+O=S(=O)(c1ccc(cc1)-n2cc3c(n2)CCNCC3)C	2
+CC(C)(C)OC(N1CCn2c(nc(c2C1)C(NC(CC(C)C)C(=O)NC)=O)Br)=O	4040
+CC(C)(C)OC(=O)N1Cc2c(c(nn2CC1)-c3cc(F)ccc3)C#N	4198
+Ic1cnn2CCNCc12	2
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(=O)Oc5ccccc5)=O	90
+CC(C)(C)OC(=O)N1C2COCC2n3nc(-c4cc(Cl)c(cc4)F)c(c3C1)C(N)=O	1196
+CC(C)(C)OC(N1Cc2n(CC1)c(Cl)cc2C(N)=O)=O	2148
+c1cc(ccc1)-c2n3CCCNCc3c(C(OCC)=O)n2	2
+C1CC1NC(Nc2ccc(cc2)-c3nc4c(CNC4)c(n3)N5CCOCC5C)=O	2
+C1CC1Nc2nc3CCNCc3cn2	2
+CC(C)(C)OC(N1CCc2c(cc(-c3ccccc3)s2)C1)=O	268
+c1cc(ccc1)-c2[nH]c(C3NCc4c(cccc4)C3)nc2	2
+C1CCCN1c2cnn3CCNCc23	2
+CCOC(=O)c1c2c(CCNC2)[nH]n1	2
+FC(F)(F)c1ccccc1C2CCN(CC2)C(=O)c3c4CN(C)CCCc4[nH]n3	352
+CC(C)(C)OC(N1Cc2c(c(-c3nn(C)nn3)c(NC(=O)C)s2)CC1)=O	1694
+CC(C)(C)OC(=O)N1Cc2c(c(Nc3cnc4c(c3)cccc4)ncn2)C1	2645
+N1Cc2ccc(N)cc2CC1	2
+CC(C)(C)OC(N1CCc2cc(C=O)ccc2C1)=O	39
+c1cc(ccc1-c2ccc3c(CNCCO3)c2)-c4n(ccn4)C(=O)OCC(C)C	2
+CC(C)(C)OC(N1Cc2c(CC1c3ncc(-c4ccccc4)[nH]3)cccc2)=O	2841
+CC(C)(C)OC(N1CCc2nc(C3c4cc(C#N)ccc4NC3=O)ccc2C1)=O	4117
+C1c2c(CN1)cnc(SC)n2	2
+CC(C)(C)OC(N1Cc2c(-c3ccc(cc3)N)nc(nc2C1)N4CCOCC4C)=O	0
+CC(C)(C)OC(N1CCc2n(C)c3c(c(ccc3C)F)c2C1)=O	4197
+CC(C)(C)OC(N1CCc2c(C1)c3c(n2C)c(Sc4ccc(cc4)C)ccc3)=O	144
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C=CC(O)=CC4=O)=O	923
+FC(F)(F)c1ccc(nc1)COC2=CC(=O)N(C=C2)c3cc4c(cc3)c5CN(C(OC(C)(C)C)=O)CCc5n4C	7518
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C(=O)C=C(c5ccc(cc5OC)Cl)C=C4)=O	2793
+FC(F)(F)c1cnc(N2CCN(C(=O)C2)c3ccc4c5c(n(c4c3)C)CCN(C(OC(C)(C)C)=O)C5)cc1	2653
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C=CC(=CC4=O)OCc5ccccn5)=O	2027
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C(=O)C=C(OCc5ccccc5)C=C4)=O	2027
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C(C=C(C=C4)c5ccc(F)cc5OC)=O)=O	2793
+CC(C)(C)OC(=O)N1CCOc2ccc3n(cc(c3c2C1)Cl)S(=O)(=O)c4ccccc4	573
+CC(C)(C)OC(N1CCn2c(c(c(-c3cccc(c3)F)n2)I)C1)=O	1160
+O=S(=O)(CC)c1ccc(cc1)CNC(=O)c2ccc3c(c2)CNC3C(C)C	2
+CC(C)(C)OC(N1CCc2c(cc(CO)s2)C1)=O	2842
+CC(C)(C)OC(N1C(C(C)C)c2ncc(cc2C1)C(=O)NCc3ccc(cc3)S(=O)(=O)CC)=O	56
+C1CCCN1Cc2cc3CNCCc3s2	2
+C1CN(CCN1C(C2CCOCC2)=O)Cc3ccc4c(CCNC4)c3	2
+CC(C)(C)OC(N1CC(C)N2c3c(cccc3C1)C(CC2)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1Cc2cccc3n(cc(CC1)c23)S(=O)(=O)c4ccccc4)=O	367
+O=S(=O)(n1c2c3c(CNCCc3c1)ccc2)c4ccccc4	2
+CC(C)(C)OC(N1CCn2c(c(C(O)=O)nc2Br)C1)=O	1
+CC(C)(C)OC(=O)N1CC2N(C(C)C1)c3nc(ccc3C2)Br	7519
+CC(C)(C)OC(=O)N1Cc2n(CC1)c(c(c2C(OCC)=O)-c3cccc(c3)F)C#N	2843
+C1C2CC(CC(CC1)N2C(=O)c3nn4c(c3)CNCC4)C(OCC)=O	2
+CC(C)(C)c1ccccc1OCCN(C)C(=O)c2n[nH]c3c2CN(C3)C(=O)OC(C)(C)C	147
+FC(F)(F)c1ccccc1C2CCN(CC2)C(c3n[nH]c4CN(C(OC(C)(C)C)=O)Cc34)=O	147
+c1ccccc1OCc2nc3CNCCc3o2	2
+CC(C)(C)OC(=O)N1Cc2c(CC1)nc(I)[nH]2	7520
+CC(C)(C)OC(N1CCc2c3c(ncc(c3Nc4ccc(F)c(Cl)c4)C#N)sc2C1)=O	2844
+N1Cc2sc3c(c2CC1)c(ncn3)Cl	2
+CC(C)(C)OC(=O)n1c2c(cccc2c(n1)OC)F	7521
+CC(C)(C)OC(=O)N1CC(CCl)c2c3ccccc3c(cc12)[N+]([O-])=O	1507
+CC(C)(C)OC(N1c2c(CC1)ccc(N=C=S)c2C)=O	1695
+CC(C)(C)OC(N1CCc2ccc(c(C)c12)NC(NCCN)=S)=O	1167
+CC(C)(C)OC(N1c2cc(C(=NO)C)ccc2CCC1)=O	189
+CC(C)(C)OC(=O)N1CC(CO)c2c3c(c(OCc4ccccc4)cc12)nccc3	59
+CC(C)(C)OC(N1CC(c2c3c(c(OCc4ccccc4)cc12)nccc3)CCl)=O	7522
+CC(C)(C)OC(=O)N1c2c(C=C(C(=O)OC)CC1)cc(cc2)Br	7523
+c1cc(cc2CCCNc12)OCCCCN(CC=C)C	396
+CC(C)(C)OC(=O)N1c2c(CCC1)ccc(C(N)C)c2	840
+c1(cc2c(OCCN2)cc1)C=O	396
+CC(C)(C)OC(=O)N1CCC(C)(C)c2ccc(cc12)N	0
+CC(C)(C)OC(NC1=Nc2cc(Br)ccc2C=C(C1)C(=O)O)=O	7524
+c1cnccc1C2(N=C(c3c2cccn3)N)c4cc(ccc4)OCCC(C)C	7525
+CC(C)(C)OC(N=C1NC2(COC(CC2CS1)CO)c3c(F)ccc(N)c3)=O	0
+CC(C)(C)OC(NC(CCC)(CN)C)=O	51
+CC(C)(C)OC(NC(C(O)CCl)Cc1cc(F)cc(F)c1)=O	100
+CC(C)(C)OC(=O)NC(C=O)CC#CC	378
+CC(C)(C)OC(=O)NC(C(c1ccccc1)=O)CCC	832
+CC(C)(C)OC(NC(Cc1cc(CCl)ccc1)C(=O)N(c2ccc(cc2)OC)C)=O	2845
+CC(C)(C)OC(=O)NC(CCCCNC(c1cc(C(=O)C)ccc1OCC#C)=O)C(=O)N	7526
+c1cc(ccc1CC(C(N)=O)N)I	84
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCC=C)C#N	143
+CC(C)(C)OC(=O)NC(C(=O)N1CC(O)CC1C(=O)O)C(C)CC(CCC=C)C	4
+CC(C)(C)OC(NC(C(=O)N1CCCC1C#N)Cc2c[nH]c3ccc(cc23)Oc4ccc(cc4)[N+](=O)[O-])=O	143
+CC(C)(C)OC(NC(C(C1CCC(CC1)NC)C)C(=O)N2CCC(F)C2)=O	25
+c1cc(ccc1[N+](=O)[O-])Oc2ccc3[nH]cc(c3c2)CC(N)C(N4C(C#N)CCC4)=O	84
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2sc3cc(C(=O)O)ccc3n2)Cc4cccs4)=O	1
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)-c2cc(Cl)ccc2)c3n(nnn3)CCC#N	4199
+c1(cc(CCNC(=O)C(C(C)CC)N)ccc1OCc2cccc3ccccc23)OC	84
+c1cc(ccc1)CNC(=O)C(N)CO	84
+n1c(C#Cc2cscn2)c3ccccc3cc1NC(C(C)N)=O	84
+CC(C)(C)OC(NC(C(=O)Nc1cc2ccccc2c(C#Cc3ncsc3)n1)C)=O	7527
+CC(C)(C)OC(NC(C(=O)N1C(C(=O)OC)CC(O)C1)C(C)CC(CCC=C)C)=O	478
+CC(C)(C)OC(NC(C(N1CC2CCCN2CC1c3ccn(Cc4ccc(cc4)F)n3)=O)C5CCCCC5)=O	10
+CC(C)(C)OC(NC(CC1CCCCC1)C(=O)Nc2sccn2)=O	373
+CC(C)(C)OC(=O)NC(CO)CC=C	21
+CC(C)(C)OC(NC(C(=O)N(C)OC)CCC)=O	164
+CC(C)(C)OC(=O)NC(C(=O)O)COc1ccc(cc1[N+]([O-])=O)F	57
+CC(C)(C)OC(=O)NC(Cc1cc(C)cc(c1)C)C(=O)NCC#N	9
+CC(C)(C)OC(NC(C(=O)OC)C1CCC(CC1)N2C(=O)c3cccnc3C2)=O	7528
+CC(C)(C)OC(=O)NC(C(=O)OC)C1CCC(CC1)NC(=O)OCc2ccccc2	101
+CC(C)(C)OC(=O)NC(C(=O)O)Cc1cc(F)c(Cl)cc1	4
+CC(C)(C)OC(NC(C(=O)OC)Cc1ccc(cc1)OC(C)C)=O	313
+CC(C)(C)OC(=O)NC(C(OC)=O)Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC	22
+CC(C)(C)OC(=O)NC(C(=O)OC)Cc1ccc(cc1)Oc2ccc(cc2)Cl	304
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OC(C)C)C(=O)O	4
+CC(C)(C)OC(NC(C(=O)OC)Cc1ncc(CCCc2nc3NCCCc3cc2)cc1)=O	2826
+c12c(CCCN1)ccc(CCCc3cnc(cc3)CC(C(=O)OC)N)n2	689
+CC(C)(C)OC(NC(C(=O)OC1CCCC1)CCOc2cccc(c2)[N+]([O-])=O)=O	20
+CC(C)(C)OC(=O)NC(CC(C(C)C)Cc1ccc2c(c(OCCOC)ccc2)c1)CO	44
+CC(C)(C)OC(=O)NC(C(OCc1ccccc1)=O)CCC(=O)Nc2cc(c(cc2N)C)C	33
+CC(C)(C)OC(=O)NC(C(OCc1ccccc1)=O)CCC(=O)Nc2c(N)cc(c(Cl)c2)Cl	33
+CC(C)(C)OC(NC(CCc1nc2c(cc(C)c(c2)C)n1-c3ccc(cc3)C)C(=O)OCc4ccccc4)=O	2846
+CC(C)(C(N)CN1C(=O)c2ccccc2C1=O)c3ccccc3	12
+CC(C)(C)OC(NC(c1[nH]c2c(n1)ccc(C(C)(C)C)c2)C(C)C(N)=O)=O	83
+CC(C)(C)OC(NC(C(C)C(=O)O)c1[nH]c2ccc(cc2n1)C(C)(C)C)=O	4
+CC(C)(C)OC(NC(C(C)C)C(O)CC(=O)OC)=O	770
+CC(C)C(N)C(C(=O)NC1CCCCNC1=O)O	12
+CC(C)(C)[Si](C)(C)OC(C(C(C)C)NC(=O)OC(C)(C)C)CC(=O)OC	19
+CC(C)(C)OC(=O)NC1C(C)CC(CCC=CC2C(NC(C3N(CC(O)C3)C1=O)=O)(C(NS(=O)(=O)C4CC4)=O)C2)C	2463
+CC(C)(C)OC(NC(C(C)OCc1ccccc1)C(O)=O)=O	149
+CC(C)(C)OC(NC(C(C)OCc1ccccc1)C(OCc2ccccc2)=O)=O	283
+c1ccccc1COC(C(N)C(C)OCc2ccccc2)=O	689
+CC(C)(C)OC(=O)NC(C(N=[N+]=[N-])C)CC1CCCCC1	298
+CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C)C2CCC(CC2)N(C)C(=O)C)=O	10
+CC(C)(C)[Si](C)(C)OC(C(Cc1ccccc1)NC(=O)OC(C)(C)C)CC(C(O)=O)Cc2cccc(c2)F	19
+C1C(CN1C(C(C(C)CC)NC)=O)O	352
+CC(C)(C)OC(=O)NC(C(C)CC)CN1CC(C1)O	15
+CC(C)(C)OC(NC(C(CN(Cc1cc(ccc1)C(C)C)C(OCc2ccccc2)=O)O)Cc3cc(ccc3)CC=C)=O	66
+CC(C)(C)OC(=O)NC(C(C)C)C(=O)N(CC(=O)O)CC1CCCCC1	4
+CC(C)(C)OC(=O)NC(C(N(c1ccc(cc1)OC)C)=O)Cc2cccc(c2)C=C	2847
+CC(C)(C)OC(=O)NC(CN)C	15
+CC(C)(C)OC(NC(C)C#N)=O	143
+C1CCCCC1C(N)C(N2CC3N(CCC3)CC2c4nn(cc4)Cc5ccc(cc5)F)=O	84
+CC(C)C(N)C(=O)N1CCC1	84
+c1cc(ccc1OC)CC(C(=O)NC(CC2=CCCC2)C(=O)C3(CO3)C)NC(=O)C(CC#N)N	84
+CC(C)CC(C(NC1CCCN(CC1O)C(=O)OCc2ccccc2)=O)N	84
+CC(C)(C)OC(NC(C(Nc1cc2ccccc2c(n1)C#C[Si](C)(C)C)=O)C)=O	961
+CC(C)(C)OC(NC(C(=O)Nc1nc(C#C)c2c(cccc2)c1)C)=O	75
+CC(C)(C)OC(=O)NC(C(OC)=O)C(C)C	325
+CC(C)(C)OC(=O)NC(C(C)C)C(=O)N1CCCC1Cc2c(CCC(OCC)=O)oc3c2cccc3	10
+CC(C)(C)OC(=O)NC(C(NCCc1cc(OC)c(OCc2ccccc2)cc1)=O)C(C)C	9
+CC(C)(C)OC(=O)NC(C(C)C)C(=O)N(C(CC(C)C)C(NC(C(Cc1ccccc1)=O)C)=O)C	348
+CC(C)(C)OC(=O)NC(C(=O)F)C(C)C	7529
+CC(C)(C)OC(NC(C(NC(C(=O)NC(CC=1CCCC=1)C(=O)C2(CO2)C)Cc3ccc(cc3)OC)=O)CC#N)=O	207
+CC(C)(C)OC(NC(CC(C)C)C(NC(C(=O)OC)CC(C)C)=O)=O	188
+CC(C)(C)OC(=O)NC(C(=O)NC(C(=O)OC)Cc1c2ccccc2[nH]c1)CC(C)C	188
+CC(C)(C)OC(NC(C(Nc1ccc(cc1)CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O)=O)CC(C)C)=O	33
+CC(C)(C)OC(=O)NC(C(=O)OC)CC(CCOCC=C)C	325
+CC(C)(C)OC(NC(C(NCC(OCC)=O)=O)CCl)=O	188
+CC(C)(C)OC(NC(CO)COC)=O	21
+CC(C)(C)OC(NC(Cc1c(C)cc(cc1C)O)C(=O)N(C(C)C)C(C)c2nc(-c3ccccc3)c[nH]2)=O	10
+CC(C)(C)OC(NC(c1nc2c(cccc2)[nH]1)Cc3ccc(cc3C)OC)=O	442
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC)CO	21
+CC(C)(C)OC(NC(C(O)=O)Cc1ccc(cc1)Oc2c(CCC(=O)OC)cccc2)=O	159
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2c(CCC(=O)OC)cccc2)C(N(C)C)=O)=O	10
+CC(C)(C)OC(=O)NC(C(N)=O)Cc1ccc(cc1)S(=O)(=O)c2ccccc2	83
+c1cc(ccc1)CC(C(O)C(O)=O)N	12
+CC(C)(C)[Si](C)(C)OC(CC(C(O)=O)Cc1ccc(cc1)OC)C(Cc2ccccc2)NC(=O)OC(C)(C)C	19
+CC(C)(C)OC(=O)NC(C1CO1)Cc2cc(F)cc(F)c2	2080
+c1(cc(cc(F)c1)CC(C(O)CNCc2cc(ccc2)OC)N)F	12
+CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)CCCCN(CC(CCl)O)C(OCc1ccccc1)=O	66
+CC(C)(C)OC(=O)NC(C)(C)c1sc(c(-c2c(c(ccc2)NC(OCC=C)=O)F)n1)-c3nc(Cl)ncc3	873
+CC(C)(C)OC(NC(C)(C)C(NC(=O)c1ccc2cc(C#CC3C(C3)CO)ccc2c1)C(=O)OC)=O	259
+CC(C)(C)OC(NC(C)(C)C(=S)N)=O	199
+CC(C)(C(NC(=O)c1cc2ccc(cc2cc1)C#CC3C(C3)CO)C(OC)=O)N	12
+CC(C)(C)OC(=O)NC(C)(C)C(=O)N(OC)C	164
+CC(C)(C)OC(NC(C)(C)C(Nc1cccc(NS(=O)(=O)c2ccc(-c3ccc(C)o3)c(c2)F)c1)=O)=O	33
+CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1cnc(nc1)Oc2cccc3OCC(C)(C)c23	1681
+CC(C)(C)OC(NC(C)(C)CNc1c(ccc(c1)F)Cl)=O	291
+CC(C)(C)OC(=O)NC(C)(C)CNCC(=O)OC	1315
+CC(C)(C)OC(=O)NC(C)(C)CNc1c(C)cccc1	291
+CC(C)(C)OC(NC(C)(C)CC(NC1C(=O)Nc2c(c3ccccc3cc2)CC1)=O)=O	207
+CC(C)(C)OC(N1C(C)(C)CN(C(=O)C1)c2c(Cl)ccc(F)c2)=O	7530
+CC(C)(C)OC(NC(C)(C)C=O)=O	24
+CC(C)(C)OC(NC(C)(C)Cc1c2c(c(O)ccc2)[nH]c1)=O	321
+CC(C)(C)OC(NC(C)(C)Cc1c2cccc(c2[nH]c1)Oc3c(cccn3)C#N)=O	7531
+CC(C)(Cc1cc(C(=O)OC)ccc1)N	12
+CC(C)(C)OC(=O)NC(C=O)(C)c1cc(Br)ccc1	24
+CC(C)(C)OC(NC(C)C(N)=NO)=O	609
+CC(C)C(C(=O)N1C(Cc2c(CCC(OCC)=O)oc3c2cccc3)CCC1)NC(C(N)C)=O	84
+CC(C)(C)OC(NC(C)C(=O)NC(C(=O)N1C(Cc2c(CCC(OCC)=O)oc3c2cccc3)CCC1)C(C)C)=O	207
+CC(C)(C)OC(=O)NC(C(Nc1cnc(nc1)Oc2cccc(C(C)C)c2)=O)C	1681
+CC(C)(C)OC(NC(C(N)=O)C)=O	83
+CC(C)(C)OC(=O)NC(c1onc(n1)C)C	1166
+CC(C)(C)OC(=O)NC(C1=Nc2c(c(ccc2)Cl)C(N1c3cc(C#N)ccc3)=O)C	7532
+CC(C)(C)OC(NC(C(Nc1cc2c(cccc2)c(Br)n1)=O)C)=O	142
+CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(cc1)Oc2cc3c(COC3)cc2)C	33
+CC(C)(C)OC(=O)NC(C)C(NC(Cc1ccc(cc1)OC)C(=O)NC(CC2=CCCC2)C(=O)C3(CO3)C)=O	207
+CC(C)(C)OC(NC(C(NCc1nc(c2c(cccc2)n1)N(c3ccc(cc3)OC)C)=O)C)=O	9
+CC(C)(C)OC(=O)NC(C(c1ccc(cc1)CC)=O)C	586
+CC(C)(C)OC(NC(C)C(=N)NOC(=O)C)=O	7533
+c1ccccc1N2C(C(C)N)=Nn3c(c(cc3)C)C2=O	12
+CC(C)(C)OC(=O)NC(CCCOc1c(-n2nc(nc2)C)ccc(c1)[N+]([O-])=O)C	8
+CC(C)(C)OC(NC(C)COC1CCN(CC1)c2nc3c(cc(O)cc3)o2)=O	2600
+c1cc(ccc1-c2oc3c(cnc(OCC(C)NC(C)=O)c3)n2)OCCC4CC4(F)F	7534
+CC(C)(C)OC(NC(C)COc1cc2oc(nc2cn1)-c3ccc(cc3)O)=O	16
+CC(C)(C)OC(NC(C)COc1cc2oc(-c3ccc(cc3)OCCC4CC4(F)F)nc2cn1)=O	262
+CC(C)(C)OC(NC(C)COc1cc2oc(-c3ccc(cc3)OCc4ccccc4)nc2cn1)=O	7535
+CC(C)(C)OC(NC(C)c1c(OC)c(c(C)c(c1)Cl)-c2cnc(cc2)C(=O)O)=O	1696
+CC(C)(C)OC(NC(C)c1c(c(-c2cnc(C(=O)N(C)C)cc2)c(C)c(c1)Cl)OC)=O	147
+CC(C)(C)OC(NC(c1c(c(c2c(n1)ccc(c2)F)C(NC(C)C)=O)-c3ccccc3)C)=O	14
+c1cc2nc(C(C)N)c(c(-c3nnc(o3)C)c2cc1F)-c4ncccc4	12
+FC(F)(F)c1cc2c(cc1)nc(-c3cc(on3)C(C)N)[nH]2	12
+CC(C)(C)OC(NC(C)c1nc2cccnc2c(C(NC)=O)c1-c3ccccc3)=O	56
+c1cc2nc(C(C)N)c(c(-c3nc(C)no3)c2cc1F)-c4ncccc4	12
+CC(C)(C)OC(=O)NC(C)c1c(-c2ncccc2)c(C(=O)NNC(C)=O)c3cc(ccc3n1)F	2524
+c1ccccc1-c2c(c3c(nc2C(C)N)cccn3)C(NC)=O	12
+CC(C)(C)OC(NC(c1onc(C(O)=O)c1)C)=O	6
+C1CC1N2C(c3c(cccc3Cl)N=C2C(N)C)=O	12
+CC(C)(C)OC(=O)NC(C1CCN(C(C(=O)N)C1)C(=O)OCc2ccccc2)CC	1827
+CC(C)(C)OC(=O)NC(C1CC(Cc2ccc(OC)cc2OC)C(=O)O1)Cc3ccccc3	2494
+CC(C)(C)OC(=O)NC(C1OC(C(Cc2ccc(cc2)OC)C1)=O)Cc3ccccc3	4121
+CC(C)(C)OC(NC(C(=O)OC)C1CCC(CC1)N)=O	18
+CC(C)(C)OC(NC(C1CCC(CC1)N=[N+]=[N-])C(=O)OC)=O	298
+C1CC(CCC1)C(N)C(=O)N2C(CCC2)c3cc(ncc3)-n4cnc5ccccc45	84
+C1COCCC1C(N)C(=O)N2C(Cc3cccnc23)C(=O)OCC	84
+CC(C)(C)OC(=O)NC(C1=C(c2cc(ccc2)F)C(N3C(SC=C3C)=N1)=O)C	1100
+CC(C)(C)OC(NC(Cc1ccccc1)(C)C=NO)=O	410
+CC(C)(C)OC(=O)NC(C1CO1)CC(Cc2ccc3c(c(OCCOC)ccc3)c2)C(C)C	7536
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC)C=NO	410
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2ccc(cc2)Cl)CNO)=O	7537
+c1ccccc1C(N)CC#C	12
+CC(C)(C)OC(NC(CCN)C)=O	51
+CC(C)(C)OC(NC(CC(=O)N(OC)C)C1CCCCC1)=O	164
+CC(C)(C)OC(=O)NC(c1cccc(c1Cl)Cl)CCO	21
+CC(C)(C)OC(NC(CC(O)=O)Cc1c(F)ccc(c1)F)=O	3
+CC(C)(C)OC(=O)NC(C(=O)C(COS(=O)(=O)c1c(cc(cc1C)OCC(OCc2ccccc2)=O)C)(C)O)CC(C)C	1226
+CC(C)(C)OC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)CC(C)C	4
+CC(C)(C)OC(=O)NC(Cc1c(F)cccc1)CC(=O)ON2C(CCC2=O)=O	884
+CC(C)(C)OC(=O)NC(CC(O)=O)c1ccccc1Cl	4
+CC(C)(C)OC(=O)NC(C)(C(Nc1cnc(nc1)Oc2c3C4(CC4)CCOc3ccc2)=O)CC	1681
+CC(C)(C)OC(=O)NC(C)(C(=O)Nc1ccc(nc1)Oc2cccc3OCC(C)Cc23)CC	469
+CC(C)(C)OC(=O)NC(CCc1ccc(cc1)OCCCCc2ccccc2)(COC(=O)C)CC	116
+CC(C)(C)OC(NC(CC)(COC(C)=O)CCc1ccc(cc1)O)=O	16
+FC(F)(F)c1cccc2c1nc(c(C(Nc3nccs3)=O)c2O)C(CC)NC(=O)OC(C)(C)C	7538
+CC(C)(C)OC(NC(CC)C(O)c1nc2c(o1)cccn2)=O	7539
+CC(C)(C)OC(=O)NC(CC)COS(=O)(=O)C	7
+C1CCCCC1CC(N)C(Nc2nccs2)=O	84
+CC(C)(C)OC(NC(CC1CCCCC1)C(NC(OCc2ccccc2)=O)C)=O	101
+CC(C)(C)OC(NC(C(C)OS(=O)(=O)C)CC1CCCCC1)=O	7
+CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O	101
+CC(C)(C)OC(NC(CC1CCCOC1)CN)=O	18
+CC(C)(C)OC(NC(CC1CCCOC1)CN=[N+]=[N-])=O	254
+CC(C)(C)OC(NC(CC1CCCOC1)COS(=O)(=O)c2ccc(cc2)C)=O	36
+CC(C)(C)OC(=O)NC(CCC(OC)=O)CO	21
+CC(C)(C)OC(NC(CSc1ccc(cc1)Cc2ccccc2)CCC(=O)OC3CCCCC3)=O	636
+CC(C)(C)OC(=O)NC(CCC)(C)CNC(=O)c1c(C)nn2c(cc(cc12)C)OCc3c(F)cccc3Cl	597
+CC(C)(C)OC(=O)NC(C)(CNC(=O)c1c(C)nn2c(OCc3c(F)cccc3F)cccc12)CCC	597
+c1ccccc1C(c2ccccc2)C(NC(OC)=O)C(NC(C)CCCC(C(OCC)=O)NC(=O)OC(C)(C)C)=O	1280
+CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)CCCCN(Cc1ccccc1)CC(O)CCl	170
+C(N)(CCCN=C(N[N+](=O)[O-])N)C(=O)O	7540
+CC(C)(C)OC(NCCNC(CC(CCCNC(OCc1ccccc1)=O)NC(=O)OC(C)(C)C)=O)=O	9
+CC(C)(C)OC(NC(CCCc1ccccc1CO)Cc2ccccc2)=O	88
+CC(C)(C)OC(NC(CCNCC(C)C)C)=O	110
+C1C(CN1CCC(N)COC)Oc2ccc(cc2)Cl	12
+CC(C)(C)OC(NC(CC=O)(c1c(F)cc(c(Br)c1)F)C)=O	24
+CC(C)(C)OC(NC(CCOC)(CCOC)CN)=O	51
+CC(C)(C)OC(=O)NC(CCOC)(CCOC)CNC(OCC1c2ccccc2-c3ccccc13)=O	2834
+CC(C)(C)OC(=O)NC(CCSCCCOS(=O)(=O)c1ccc(cc1)C)C(OC(C)(C)C)=O	36
+CC(C)(C)OC(=O)NC(CCC(=O)O)(CCc1ccc(cc1)OCCCCCCC)C	783
+c1ccccc1CCC(C(OCC=C)=O)N	689
+CC(C)(C)OC(=O)NC(CNC(=O)CNc1sc(C=O)cn1)C(=O)OC	9
+CC(C)(C)OC(NC(CNc1nc(ncc1)-c2cc(Br)ccc2O)CC)=O	40
+CC(C)(C)OC(NC(CNC(=O)C1CC(CN1)O)CCCCNC(=O)OC(C)(C)C)=O	679
+C[Si](C)(C)CCOC(N(CC(NC(OC(C)(C)C)=O)CC1(CCCCC1)F)C)=O	613
+c1c(cc(-c2nccc(NCC(CC)N)n2)c(c1)O)Br	12
+OCC(CO)(N)c1oc2c(cc(cc2)-c3noc(n3)-c4cc(Cl)c(cc4)OCCC)c1	12
+CC(C)(C)OC(=O)NC(CO)CNCCN	15
+CC(C)(C)OC(NC(C=O)C(C)C)=O	24
+CC(C)(C)OC(=O)NC(COCc1ccccc1)C(C)C	149
+CC(C)(C)OC(=O)NC(C)Cn1c2ncnc(N)c2c(I)n1	7541
+CC(C)(C)OC(=O)NC(COS(=O)(=O)C)C	7
+CC(C)(C)OC(NC(COc1cc2OC(c3c(-c2cc1)ccnc3NC(C)=O)C)CC(C)C)=O	556
+CC(C)(C)OC(=O)NC(COS(=O)(=O)C)CC(C)C	7
+CC(C)(C)OC(N1C(C)(C)OCC1CC(CC=C)CO)=O	2797
+CC(C)(C)OC(NC(COS(=O)(=O)C)CC1(CCCCC1)F)=O	7
+CC(C)(C)OC(NC(CC=C(F)F)COc1ccc2-c3ccnc(C)c3C(=O)N(C)c2c1)=O	556
+CC(C)(C)OC(=O)NC(CCc1ccc(cc1)Br)C=O	24
+CC(C)(C)OC(=O)NC(COC)CN=[N+]=[N-]	600
+CC(C)(C)OC(=O)NC(COS(=O)(=O)c1ccc(cc1)C)Cc2ccccc2	36
+CC(C)(C)OC(NC(COC(F)F)C(=O)NCc1ccc(cc1)F)=O	9
+CC(C)(C)OC(NC(COC)CNc1cc(c(C(OC)=O)c(Nc2cc(ccc2)C)n1)C#N)=O	70
+CC(C)(C)OC(=O)NC(C(=O)NC(C(NC(C(=O)OC)C(C)C)=O)C(C)C)COCC=C	207
+CC(C)(C)OC(NC(CNC)CC1(CCCCC1)F)=O	285
+CC(C)(C)[Si](C)(C)OCC(N(C)C(OC(C)(C)C)=O)CC=C	397
+CC(C)CC(N)COc1cc2OC(c3c(-c2cc1)ccnc3NC(C)=O)C	12
+C1CC(CCC1)OC(=O)CCC(CSc2ccc(cc2)Cc3ccccc3)N	12
+CC(C)(C)OC(=O)NC(Cc1c(F)ccs1)C(NC2(CC2c3ccccc3)C#N)=O	143
+O=S(=O)(C)Oc1ccc2[nH]cc(c2c1)CC(C(N3C(CCC3)C#N)=O)N	84
+CC(C)(C)OC(NC(Cc1c2cc(OS(=O)(=O)C)ccc2[nH]c1)C(=O)N3CCCC3C#N)=O	143
+CC(C)CC(C(N(C)C(CCCC)C(N)=O)=O)NC(C(Cc1c2ccccc2[nH]c1)N)=O	84
+CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N	83
+CC(C)(C)OC(NC(Cc1c[nH]c2c1cccc2)C(OCc3ccccc3)=O)=O	283
+CC(C)(C)OC(=O)NC(C(OCc1ccccc1)=O)Cc2c3ccccc3n(c2)CC(OCC)=O	256
+CC(C)(C)OC(NC(Cc1c2cc(OS(=O)(=O)C)ccc2[nH]c1)C(=O)N3CCCC3C(N)=O)=O	444
+CC(C)(C)OC(NC(C(=O)N1C(CCC1)C(=O)N)Cc2c[nH]c3ccc(cc23)Oc4ccc(cc4)[N+](=O)[O-])=O	46
+CC(C)(C)OC(=O)NC(CO)Cc1ccc(c(Cl)c1)O	95
+CC(C)(C)Cc1nc(C2(CC2)NCC(O)C(Cc3cc(F)cc(c3)F)N)cs1	12
+CC(C)(C)OC(NC(c1ncc(N)cc1Br)Cc2cc(F)cc(F)c2)=O	7542
+CC(C)(C)OC(=O)NC(C(N(c1ccc(cc1)OC)C)=O)Cc2cc(ccc2)C=O	1295
+CC(C)(C)OC(NC(C(OCc1ccccc1)=O)Cc2cc(OC)c(O)cc2)=O	283
+CC(C)(C)OC(NC(Cc1ccc(cc1)-c2cn3cccc(C(O)C)c3n2)CCO)=O	440
+c1cc(ccc1CC(N)C(N2CCN(CC2)c3ccccc3CN(C)C)=O)Cl	84
+CC(C)(C)OC(NC(Cc1ccc(cc1)Cl)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(NC(Cc1ccc(cc1)Cl)CCn2ncc(-c3cc4c(cncc4)cc3)c2)=O	1593
+c1cc(ccc1Cl)CC(N)CCn2ncc(-c3cc4c(cncc4)cc3)c2	12
+C1CC(CCC1)C2(CCN(CC2)C(C(Cc3ccc(cc3)OC)N)=O)C(=O)CCC	84
+c1cc(ccc1OC)CC(C(=O)NC(CC=2CCCC=2)C(C3(CO3)C)=O)N	84
+CC(C)(C)OC(NC(Cc1ccc(cc1)OCCN=[N+]=[N-])C(=O)OC)=O	310
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCCN=[N+]=[N-])C(=O)O	4
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2c(cccc2)CCC(=O)O)C(N(C)C)=O)=O	4
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2c(cccc2)CCC(=O)NO)C(N(C)C)=O)=O	1697
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2c(cccc2)CCC(=O)NOCc3ccccc3)C(N(C)C)=O)=O	293
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)Oc2ccc(cc2)C=O)C(=O)N(C)C	10
+c1(cccc(Cl)c1-c2ccc3c(ccc(CC(C(=O)OC)N)c3)n2)Cl	689
+CC(C)(C)OC(=O)NC(Cc1ccccc1)(c2oc(nc2)-c3cc(Cl)nc(c3)N(S(=O)(=O)C)C)C	7543
+CC(C)(C)OC(NC(C=O)(C)Cc1ccccc1)=O	24
+c1cc(ccc1)CC(C(NC(CCCNC(N[N+]([O-])=O)=N)C(=O)O)=O)N	84
+CC(C)(C)OC(NC(CO)Cc1ccccc1)=O	21
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N(C)C	10
+CC(C)(C)OC(=O)NC(C(=O)N)Cc1ccccc1	83
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N(C)OC	164
+CC(C)(C)OC(NC(CCCc1c(COC)cccc1)Cc2ccccc2)=O	49
+CC(C)(C)OC(NC(C)c1nc2c(cc(F)cc2)c(-c3nc(C)no3)c1-c4ccccn4)=O	7544
+c1(cc(ccc1)C#CCC(N)c2cccc(C)c2C)C	12
+CC(C)(C)OC(NC(C)c1c(OC)c(-c2ccc(C#N)nc2)c(C)c(c1)Cl)=O	391
+CC(C)(C)OC(NC(c1ccc(c(Cl)c1)Cl)CCC#N)=O	1409
+[N-]=[N+]=NCC(c1cc(ccc1)Br)N	12
+c1c(OC)ccc2c(ccnc12)OCc3nnc4n3nc(-c5cc(Cl)c(cc5)C(C)N)cc4	12
+CC(C)(C)OC(=O)NC(CCNS(=O)(=O)C)c1ccc(cc1)Cl	111
+c1cc(ccc1OCC(C)CCC)C(N)CN=[N+]=[N-]	12
+CC(C)(C)OC(NC(c1ccccc1)CCO)=O	21
+CC(C)(C)OC(NC(CC#C)c1ccccc1)=O	7545
+CC(C)(C)OC(NC(c1ccccc1)CC=O)=O	24
+CC(C)(C)OC(NC1c2ccnc(-c3n(ncc3NC(C(C=CC1)C)=O)C(F)F)c2)=O	4123
+CC(C)(C)OC(NC(c1cc(-c2c(cnn2C(F)F)N)ncc1)CC=C)=O	209
+CC(C)(C)OC(NC(C)c1c(c(c2c(ccc(F)c2)n1)C(=O)O)-c3ccccc3)=O	1
+c1(c(C)cc(OC)cc1)CC(N)c2nc3c([nH]2)cccc3	12
+CC(C)(C)OC(=O)NC(c1n(Cc2ccccc2)cc(-c3cc(ccc3F)F)n1)C4CCOCC4	371
+c1c(cnc(C(C)N)c1F)F	12
+CC(C)(C)OC(NC(C)c1cc(no1)-c2[nH]c3c(ccc(c3)C(F)(F)F)n2)=O	4200
+CC(C)(C)OC(=O)N(C)Cc1c(cccc1Br)[N+]([O-])=O	7546
+CC(C)(C)OC(=O)NC1(CC#Cc2nc(ccn2)-c3ccc(cc3)C(F)(F)F)C(=O)N(CC1)C	1467
+CC(C)(C)OC(=O)NC1(C(=O)N(CC1)C)CC#Cc2nc(cc(n2)C)-c3ccc(cc3)C(F)(F)F	1467
+CC(C)(C)OC(NC1(C(OC)=O)CC1CC)=O	732
+CC(C)(C)[Si](C)(C)OC1C(NC(OC(C)(C)C)=O)(CCC1)C=O	59
+CC(C)(C)OC(=O)NC1(C(O)=O)C(CC)C1	4
+CC(C)(C)OC(=O)NC1(CC(C1)O)C2CC(N(Cc3ccccc3)C2)=O	118
+CC(C)(C)OC(NC1(CC(C1)OCc2ccccc2)C3CC(=O)N(Cc4ccccc4)C3)=O	4183
+CC(C)(C)OC(=O)NC1(CC1)C(=O)NCc2ccc(cc2)-n3c4c(c(Cl)c3-c5noc(n5)C)cccc4	9
+CC(C)(C)OC(NC1(CC1)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(=O)NC1(CC1)CC(=O)O	1405
+CC(C)(C)OC(NC1(CC1)CCO)=O	118
+CC(C)(C)OC(NC1(CC1)CNc2cc(Nc3cccc(C(C)(C)C)n3)c(C(=O)N)nn2)=O	232
+CC(C)(C)c1cccc(Nc2cc(nnc2C(=O)N)NCC3(CC3)N)n1	12
+CC(C)(C)OC(=O)NC1(CC1)C2CCCCN2	4201
+CC(C)(C)OC(=O)NC1(C(C=C)C1)C(=O)NS(=O)(=O)C2(CC2)CCC	344
+CCOC(C1(N)C(C1)C=C)=O	689
+c1cc(ccc1Cl)C(NC(C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)=O)CCO	84
+c1cc(ccc1Cl)C(CCNS(=O)(=O)C)NC(C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)=O	84
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(=O)NC(CC(OC)=O)c4ccc(cc4)Cl	9
+CC(C)(C)OC(NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(=O)NC(c4ccc(cc4)Cl)CCNS(=O)(=O)C)=O	9
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2ccc(S(=O)(=O)C)cn2)C	43
+CC(C)(C)OC(=O)NC1(CCN(CC1)c2c([N+]([O-])=O)nccc2)C	2688
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(C(=O)N)NC(=O)C3(CCOCC3)NC(OC(C)(C)C)=O	372
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3ccc4c(N(C(CO4)=O)C)c3)C(=O)N)=O	756
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3cc4c(OC(N4CCCOC)=O)cc3)C(=O)N)=O	756
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(Cc2ccc(cc2)-c3cc(C#N)ccc3)C(=O)N)=O	134
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3cc(F)c(cc3)F)C(=O)N)=O	134
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3cc(C#N)c(F)cc3)C(=O)N)=O	134
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(Cc2ccc(cc2)-c3cc(ccc3)OS(=O)(=O)C)C(=O)N)=O	134
+CC(C)(C)OC(NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc(C#N)ccc3)=O)=O	143
+C1COCCC1(N)C(NC(C#N)Cc2ccc(cc2)-c3cc(C#N)ccc3)=O	84
+CC(C)(C)OC(=O)NC1(CCCN(C1)c2c(cnc3c2CCC3)[N+]([O-])=O)C	264
+CC(C)(C)OC(NC(CO)(CO)c1oc2c(c1)cc(cc2)-c3noc(n3)-c4cc(Cl)c(cc4)OCCC)=O	1192
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)C2(O)C)=O	2799
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)C2=O)=O	86
+CC1(C)Cc2c(cc(NC(c3ccc(Br)cn3)=O)cc2)C4(NC(OC4)=N)C1	7547
+CC(C)(C)OC(NC=1CC(C(=O)N(CCC)CCC)=Cc2c(cc(cc2)-c3ccc(cc3)O)N=1)=O	11
+c1ccccc1C(=O)N2CC(C(=O)N(c3ccccc23)C)N	84
+c1ccccc1C2C(C(=O)N(c3ccccc3O2)CC#C)N	84
+c1c(cc2N(C(=O)C(COc2c1)N)C)F	84
+CC(C)(C)OC(NC1CN(c2ccc(C)cc2NC1=O)C3CCCCC3)=O	460
+CC(C)(C)OC(NC1C(N(Cc2ccccc2)c3c(N)cccc3C1)=O)=O	1126
+CC(C)(C)OC(NC1C(CC(C(N)=O)CC1)OC)=O	83
+CC(C)(C)OC(NC1CCCC1Nc2ncc(C(F)(F)F)nc2C)=O	4202
+CC(C)(C)OC(NC1C(CCCC1)CN)=O	51
+CC(C)(C)OC(=O)NC1CCCCC1CNc2c(F)cnc(n2)-c3c4cc(Cl)cnc4n(c3)S(=O)(=O)c5ccc(cc5)C	4126
+CC(C)(C)OC(=O)NC1C(CCCC1)CC#N	300
+CC(C)(C)OC(NC1CCCCC1CN=[N+]=[N-])=O	133
+CC(C)(C)OC(NC1COCCC1Nc2cc(Nc3ccc(c(n3)OC)C(C)C)c(C(=O)N)nn2)=O	232
+CC(C)(C)OC(NC1C(CN(CCOS(=O)(=O)C)CC1)OC)=O	7
+CC(C)(C)OC(=O)NC1C(OC)CN(CC1)CCN2C(=O)C=Nc3ccc(cc23)OC	7548
+CC(C)(C)OC(=O)NC1C(OC)CN(CC1)CCN2C(C=Cc3c2cc(cc3)C#N)=O	2848
+CC(C)(C)OC(=O)NC1C(OC)CN(CCN2C(C=Cc3ccc(cc23)Br)=O)CC1	2848
+CC(C)(C)OC(NC1C(=O)N(c2c(C1)cccc2N(C(C)=O)CC)Cc3ccccc3)=O	192
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)C(N)CC1)Cc2cccnc2	84
+CC(C)(C)OC(=O)NC1CCCCC1Nc2nnc(c(Nc3nc(C(C)(C)O)ccc3)c2)C(N)=O	232
+CC(C)(C)OC(=O)NC1C(Nc2cc(Nc3cc(C)cc(C)c3)c(nn2)C(N)=O)CCCC1	232
+CC(C)(C)OC(=O)NC1CCCCC1Nc2nnc(C(N)=O)c(Nc3cccc(n3)OCC)c2	232
+CC(C)(C)OC(=O)NC1C(CCCC1)Nc2cc(Nc3nc(cc(C)c3)C)c(nn2)C(N)=O	232
+CC(C)(C)OC(NC1CCCCC1Nc2ncc3c(c(C(Nc4ccc5c(n4)ccnc5)=O)cs3)n2)=O	798
+CC(C)(C)OC(NC1CCCCC1Nc2cc(C#N)c(c(n2)Nc3cc4c(cn[nH]4)cc3)C(=O)OC)=O	70
+CC(C)(C)OC(NC1C(Nc2cnc(c(n2)Cl)C#N)CCCC1)=O	464
+C1C(C)CCCCCCCC(C(=O)NC(C(NC1C(O)CC(C)C(NCCCC)=O)=O)C)N	84
+CC(C)(C)[Si](C)(C)OC1CCC(C(=O)NC1)NC(=O)OC(C)(C)C	19
+CC(C)(C)OC(=O)NC1C(CCCC1)Nc2cnc(c(Nc3cc(ccc3)-c4ncccn4)n2)C#N	1410
+FC(F)(F)COc1cc(CC2CSCC(NC(OC(C)(C)C)=O)C2O)cc(c1[N+]([O-])=O)F	57
+CC(C)(C)OC(=O)NC1CC(C(OCC)=O)CCC1OS(=O)(=O)C	7
+c1cc(ccc1)COC(=O)N2CCC(N)C(O)C2	12
+CC(C)(C)OC(NC1CC1c2cc(C(=O)Nc3cnn(CC)c3)ccc2)=O	1404
+C1CC1CN2C(=O)C(C(c3ccccc3)Oc4ccccc24)N	84
+C1CC(=O)Nc2c1c(Oc3ccc4OC5C(c4c3)C5N)ccn2	12
+CC(C)(C)OC(=O)NC1CC(CC1)CO	460
+CC(C)(C)OC(=O)NC1CC(C)CNC1	25
+CC(C)(C)OC(NC1CC(C1)CN)=O	18
+CC(C)(C)OC(=O)NC1CC(C1)COS(=O)(=O)C	7
+CC(C)(C)OC(=O)NC1CC(CC(c2c(cncc2)NC(=O)c3nc(-c4c(cc(cc4F)C=O)F)c(F)cc3)C1)C	245
+CC(C)(C)OC(=O)NC1CC(c2nc(C(F)(F)c3ccccc3)no2)CC1	4155
+CC(C)(C)OC(=O)NC1CC(CC1)c2nc(-c3ccccc3)no2	4203
+CC(C)(C)OC(=O)NC1CCC(Nc2nc3cc(OC)ccc3c(C)c2)C1	554
+CC(C)(C)OC(=O)NC1CC(Nc2c3c(n(cc3)S(=O)(=O)c4ccccc4)ncc2[N+]([O-])=O)CC1	2048
+CC(C)(C)OC(NC1CCC(C(CCC)C1)N2C(=O)C(Nc3c4c(ccc(Cl)c4)ncn3)CC2)=O	2801
+CC(C)(C)OC(NC1CCC(NC(=O)C(CCSC)NC(=O)OCc2ccccc2)C(CCC)C1)=O	9
+CC(C)(C)OC(NC1CC(CC1)N)=O	102
+CC(C)(C)OC(=O)NC1CCC(OS(=O)(=O)C)C1	7
+CC(C)(C)OC(=O)NC1CC(C(CC1)COS(=O)(=O)C)OC	7
+CC(C)(C)OC(NC1CC(CC(c2c(NC(=O)c3ccc(c(Br)n3)F)cncc2)C1)C)=O	510
+c1cc(ccc1C2C(C2)N)Br	12
+CC(C)(C)OC(NC1CC1c2ccc(cc2)OCc3c(F)cccc3)=O	22
+c1cc(ccc1C2CC2N)OC	12
+c1cc(ccc1C2CC2N)OCc3c(F)cccc3	12
+CC(C)(C)OC(NC1C(c2cccc(C(=O)O)c2)C1)=O	1
+CC(C)(C)OC(NC1CC2=CCC3C(CCC4(C3CCC4c5nnn(Cc6ccccc6)c5)C)C2(CC1)C)=O	642
+c1cc(ccc1)CON2C(=O)C(CC=CC2)N	84
+CC(C)(C)OC(NC1C(CC(C(O)=O)CC1)OC)=O	4
+CC(C)(C)OC(=O)NC1CCC(C)N(S(=O)(=O)c2ncccc2)CC1O	2043
+CC(C)(C)OC(NC1CC(NC(OCc2ccccc2)=O)CC1)=O	7549
+CC(C)(C)OC(NC1CC(CC1)C(ON=C(C(F)(F)c2ccccc2)N)=O)=O	4075
+CC(C)(C)OC(NC1CCC(CC1)CC=O)=O	578
+CC(C)(C)OC(=O)NC1CCC(CC1)CNc2nc(NCc3c(I)cccc3)ncc2[N+](=O)[O-]	96
+C1CC(CCC1N)NC(c2ccc(-c3cccc(c3)F)nc2)=O	12
+CC(C)(C)OC(NC1CCC(C(=O)OC)CC1OC)=O	76
+CC(C)(C)OC(=O)NC1CCC(N2CCC(NC(=O)OCc3ccccc3)C2=O)C(CCC)C1	7550
+C1CCC(C(OC)=O)CC1N	12
+CC(C)(C)OC(=O)NC1C(CCC1)(F)C	1138
+CC(C)(C)OC(NC1CCCC1CO)=O	21
+CC(C)(C)OC(=O)NC1CCCC1C=O	24
+CC(C)(C)OC(NC1C(NC(C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)CCCCCCC1)=O)=O	460
+CC(C)(C)OC(NC1CCCC=CCCC(C)CC(NC(=O)C(C)NC1=O)C(CC(C)C(NCCCC)=O)O)=O	248
+CC(C)(C)OC(=O)NC1C(CCCC1)C(OC)=O	167
+C1CCCC(CN=[N+]=[N-])C1N	12
+N#Cc1cc(nc(Nc2cc3c(c[nH]n3)cc2)c1C(=O)OC)NC4CCCCC4N	12
+c1sc2c(nc(nc2)NC3CCCCC3N)c1C(=O)Nc4ccc5c(ccnc5)n4	12
+CC(C)(C)OC(NC1CCCCNC1)=O	62
+CC(C)(C)OC(=O)NC1CCNCCC1	62
+CC(C)(C)OC(NC1CCCN(c2c(cncc2)N)C1)=O	13
+FC(F)(F)c1cc(cc(N)c1)Nc2nc(c3c(CCCC3)n2)N4CCCC(C4)NC(=O)OC(C)(C)C	55
+CC(C)(C)OC(=O)Nc1c(C(Nc2c(ccnc2)N3CC(NC(=O)OC(C)(C)C)CCC3)=O)c4c(o1)cc(cn4)CC	7551
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(c[nH]c3ncc2Cl)NC(CC)=O)C1	308
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(NC(=O)CCC)c[nH]c3ncc2Cl)C1	308
+CC(C)(C)OC(NC1CCCN(c2n(Cc3ccccc3Cl)c4c(c2C(=O)C)N(C(N(C4=O)C)=O)C)C1)=O	716
+CC(C)(C)OC(=O)NC1CCCN(c2nc(Nc3ccc(cc3)N(CC)CC)c(C(=O)N)cc2)C1	43
+CC(C)(C)OC(NC1CCCN(C1)c2c([N+]([O-])=O)cncc2)=O	264
+FC(F)(F)c1cc([N+](=O)[O-])c(N2CC(NC(=O)OC(C)(C)C)CCC2)cc1	34
+FC(F)(F)c1cnc2c(c(NC(c3nccnc3)=O)c[nH]2)c1N4CC(NC(=O)OC(C)(C)C)CCC4	1635
+CC(C)(C)OC(=O)NC1CN(CCC1)S(=O)(=O)c2cccc(c2C)Cl	92
+CC(C)(C)OC(NC1CCCN(C2C(O)Cc3ccc(cc23)S(=O)(=O)C)C1)=O	3959
+CC(C)(C)OC(=O)NC1CN(c2c3c(NC(c4cc(F)ccc4)=O)c[nH]c3ncc2Br)CCC1	1610
+CC(C)(C)OC(=O)NC1CN(c2c(cnc3c2c(c[nH]3)NC(c4nccnc4)=O)Br)CCC1	1610
+CC(C)(C)OC(NC1CCCN(c2c3c(ncc2Cl)[nH]cc3N)C1)=O	1610
+CC(C)(C)OC(NC1CN(CCC1)C(c2ccc(c(c2)[N+](=O)[O-])NC)=O)=O	30
+CC(C)(C)OC(=O)NC1CN(c2c(cnc3CCCc23)[N+](=O)[O-])CCC1	264
+CC(C)(C)OC(NC1CN(CCC1)C(c2cc(c(c(c2)OC)NC)[N+](=O)[O-])=O)=O	30
+CC(C)(C)OC(=O)NC1CCCN(c2nc(Nc3ccc(cc3)C(N4CCOCC4)=O)c(C(=O)N)cc2)C1	43
+CC(C)(C)OC(=O)NC1CN(c2nc3c(cc2)ncnc3N)CCC1	286
+CC(C)(C)OC(NC1CCN(C(C(F)(F)F)c2ccc(nc2)NN)C1)=O	383
+CC(C)(C)OC(NC1CCN(C1)C(C(F)(F)F)c2cnc(cc2)NN=Cc3nc4c(cc3)cc(F)c(OCC)c4)=O	1698
+FC(F)(F)C(N1CCC(NC(OC(C)(C)C)=O)C1)c2cn3c(cc2)nnc3-c4nc5c(cc4)cc(F)c(OCC)c5	2149
+CCC(=O)N1CC(CC1)N	12
+CC(C)(C)OC(=O)N(C1CN(CC1)c2ccc(cc2)[N+]([O-])=O)C	397
+C1N(CCC1N)C2C(N=[N+]=[N-])CCCC2	12
+c1(N2CC(OC2=O)Cn3nncc3)ccc(N4CCC(N)C4)c(F)c1	12
+CC(C)(C)OC(NC1CCN(c2c(F)cc(N3C(=O)OC(CN=[N+]=[N-])C3)cc2)C1)=O	133
+CC(C)(C)OC(NC1CCN(c2c(cc(cc2)N3C(=O)OC(C3)COS(=O)(=O)C)F)C1)=O	7
+n1ccn2ccnc(N3CCC(N)C3)c12	12
+CC(C)(C)OC(=O)NC1CCN(C1)c2ncccc2C(OC(C)C)=O	43
+CC(C)(C)OC(NC1CCN(C1)C(CC)=O)=O	58
+CC(C)(C)OC(NC1CN(c2c(cc(c(F)c2F)C(=O)OCC)F)CC1)=O	34
+CC(C)(C)OC(NC1CN(c2nccn3cccc23)CC1)=O	7552
+CC(C)(C)OC(NC1CN(CC1)c2ccc(c(F)c2F)C(=O)OCC)=O	34
+CC(C)(C)OC(NC1CN(CC1)c2nc(nc3CCCc23)N)=O	54
+c1cc(ccc1)C(c2ccccc2)CC(N3CC(NC(OC(C)(C)C)=O)CC3)=O	10
+CC(C)(C)OC(NC1CCN(C1)c2ccc(cc2)[N+]([O-])=O)=O	34
+CC(C)(C)OC(NC1CCN(C1)c2ccc(cc2)S(=O)(=O)N(C)C)=O	34
+CC(C)(C)OC(NC1CN(CC1)c2cc(nc(N)n2)C=Cc3ccccc3)=O	54
+CC(C)(C)OC(NC1CCN(c2nccn3ccnc23)C1)=O	2072
+CC(C)(C)OC(NC1CN(CC1)c2nc3c(cc(cn3)Cl)nc2Cl)=O	317
+CC(C)(C)OC(=O)NC1CCOCC1CO	44
+CC(C)(C)OC(=O)N(C1c2c(cc(cc2)C#N)OCC1)C	397
+c1cc(ccc1)CC2c3cc(ccc3CCC2N)CNS(=O)(=O)CCC	12
+CC(C)(C)OC(NC1CCc2ccc(cc2C1Cc3ccccc3)CN)=O	107
+CC(C)(C)OC(NC1CCc2c(cc(cc2)CNS(=O)(=O)CCC)C1Cc3ccccc3)=O	111
+CC(C)(C)OC(=O)NC1C(N(c2c(ccc(C)c2)N(C1)C(=O)C3CCCCC3)CC(=O)c4ccccc4C)=O	4041
+CC(C)(C)OC(NC1CNCC(C1(O)C)C)=O	62
+C1CC1Cn2c(cc3cccnc23)-c4n(c5c(cc(cc5OC)C(N6CC(CCC6)N)=O)n4)C	12
+C1C(CN1C(=O)c2ccc(c(F)c2Nc3c(cc(cc3)I)F)F)N	12
+C1N(CC1N)c2ccccn2	12
+CC(C)(C)OC(NC1C(C(C2CC2)CN(c3c4CCCc4[n+]([O-])cc3[N+]([O-])=O)C1)O)=O	103
+CC(C)(C)OC(N(C)C1CCN(C(C2CC2)=O)C1)=O	397
+c1ccccc1C=Cc2nc(nc(N3CCC(C3)N)c2)N	12
+CC(C)(C)OC(NC1CN(c2ccc(cc2)C(=O)O)CC1)=O	1
+NC1CCN(c2c3c(nc(N)n2)CCC3)C1	12
+Clc1cnc2c(c1)n3c(c(n2)N4CCC(N)C4)nnc3	12
+CC(C)(C)OC(NC1CN(CC1)c2nc3c(cc(cn3)Cl)nc2NN)=O	1386
+CC(C)(C)OC(NC1CN(CC1)c2nc3c(cc(Cl)cn3)n4cnnc24)=O	2825
+C1CC1Cn2c(cc3c2nccc3)-c4n(c5c(n4)cc(cc5)C(N6CC(CCC6)N)=O)C	12
+CC(C)(C)OC(=O)NC1C(Nc2c(cc(C#N)c(Cl)n2)F)CCN(C(C)=O)C1	70
+CC(C)(C)OC(NC1CCCCNC1)=O	25
+NC1CCN(c2c3cccn3ccn2)C1	12
+CC(C)(C)OC(NC1CN(C1)c2ncccc2)=O	43
+CC(C)(C)OC(NC1CN(C1)C(=O)c2ccc(c(F)c2Nc3c(cc(cc3)I)F)F)=O	30
+CC(C)(C)OC(=O)NC1CN(c2c3c(ncc2[N+]([O-])=O)OCC3)CC(C)C1(C)O	4204
+CC(C)(C)OC(=O)NC1C(N(c2ccccc2NC1)C)=O	239
+CC(C)c1c(nc(cc1)Nc2cc(NC3C(N)COCC3)nnc2C(=O)N)OC	12
+CN(C)C(CCCOc1cc2c(cc1)CCC(N)C2)=O	12
+CC(C)(C)OC(NC1Cc2c(CC1)ccc(c2)OCCCC(O)=O)=O	3
+CC(C)(C)OC(NC1Cc2c(CC1)ccc(OCCCC(=O)N(C)C)c2)=O	10
+CC(C)(C)OC(NC1Cc2c(c([N+](=O)[O-])ccc2)NC1=O)=O	562
+CC(C)(C)OC(NC1C(=O)Nc2c(cccc2N)C1)=O	0
+CC(C)(C)OC(NC1Cc2c(CC1)ccc(c2)OCCCC(=O)OCC)=O	8
+O(c1ncc(cc1)C(=O)N)c2cc3c(CC(N)C3)cc2	12
+CC(C)(C)OC(=O)N(C)C1C(c2c(cccc2)C1)Cc3cc(Cl)c(cc3)Cl	397
+CC(C)(C)OC(=O)NC1c2cc(ccc2N(C(C1C)C3CC3)C(=O)C)Br	192
+CC(C)(C)OC(=O)NC1C(OC)Cc2ccccc12	76
+CC(C)(C)OC(=O)NC1c2cccc(c2CC1)-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3	529
+CC(C)(C)OC(=O)NC1CCCC(C(Nc2cnn(C(F)F)c2-c3nccc1c3)=O)C	7553
+C(C)CN(CCC)C(C1=Cc2c(cc(-c3ccc(cc3)O)cc2)NC(=N)C1)=O	7554
+CC(C)(C)OC(NCc1cn(CCON2C(=O)c3ccccc3C2=O)nn1)=O	642
+CC(C)(C)OC(=O)NCC#CC=1c2c(cnc(n2)SC)C(N(c3c(Cl)cccc3Cl)C=1)=O	7555
+C1COCCN1c2ccc(cc2)Nc3nc4C(C#CCN)=CN(c5c(cccc5Cl)Cl)C(=O)c4cn3	7556
+CC(C)(C)OC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(c(Cl)c3)Oc4ccc(C)nc4)c2c1	7557
+CC(C)(C)OC(NCC(NC(c1ccc(cc1)-c2ccccc2)CC#N)=O)=O	143
+CC(C)(C)c1cc(c(s1)CNC(=O)CN)NC(Nc2ccc(cc2)C)=O	84
+CC(C)(C)OC(=O)NCC(C)(C)CC(=O)Oc1ccc(cc1)[N+]([O-])=O	2850
+CC(C)(C)OC(NCC(C)(C)c1ccc(cc1)N)=O	0
+c1c(c(O)ccc1)C(=O)NC(CN)C	12
+CC(C)(C)OC(=O)NCC(C)OCCO	118
+CC(C)(C)OC(=O)NCC(C)c1ccc(cc1)C#Cc2ccc(cc2)OCCC	129
+CC(C)(C)OC(=O)NCC(CCOc1ccc(cc1)C#N)OS(=O)(=O)C	7
+CC(C)(C)OC(=O)NCC(CN1CCC(CC1)Oc2ccc(cc2)F)NC(C=Cc3c(ccc(c3)C#N)OC)=O	711
+CC(C)(C)OC(NCC(CN1CCC(CC1)Oc2ccc(cc2)F)N)=O	102
+CC(C)(C)OC(NCC1CN(c2cc(F)c3c(CC(=O)N3CCF)c2)C(=O)O1)=O	2151
+CC(C)(C)OC(NCC1OC(N(C1)c2cc3CC(N(CC4CC4)c3cc2)=O)=O)=O	2151
+CC(C)CN(C(=O)CN)CC(=O)OC	84
+CC(C)(C)OC(=O)NCC(NC(c1c[nH]c2c1cc(cc2)Cl)=O)c3c4cc(Cl)ccc4[nH]c3	56
+C1Cc2c(ccc(F)c2Br)C(CC(=O)O)N1C(CN)=O	84
+C1CC(CCN1C(=O)CN)(C(NCc2c(cccn2)C)=O)COC(=O)Nc3ccc(cc3)CC	84
+N#CC1CCCN1C(=O)CN	84
+CC(C)(C)OC(NCC(N1CCCC1C#N)=O)=O	143
+CC(C)(C)OC(NCC(N1C(c2c(CC1)c(Br)c(cc2)F)CC(O)=O)=O)=O	4
+CC(C)(C)OC(=O)NCC(C)N	18
+c1ccccc1-c2ccc(cc2)C(CC#N)NC(CN)=O	84
+CC(C)(C)OC(NCC(=O)NC(c1ccc(cc1)-c2ccccc2)CC(N)=O)=O	83
+c1cc(ccc1)-c2[nH]c3c4c(ccc3)C(NC(CN)=O)CCc24	84
+CC(C)(C)OC(=O)NCC(N)c1cc(cc(c1)F)Br	499
+C1CN(CCN1c2nccn3c(cnc23)-c4cccc(n4)NC(CN)c5ccccc5)C	12
+CC(C)(C)OC(NCC(=O)NCc1sc(cc1NC(Nc2ccc(cc2)C)=O)C(C)(C)C)=O	9
+CC(C)(C)OC(NCC(N(CC(C)C)CC(OC)=O)=O)=O	478
+CC(C)(C)OC(NCC(OC1C(Nc2c(ccc(-n3c4CC(C)(C)CC(c4c(CC)n3)=O)c2)C(N)=O)CCCC1)=O)=O	27
+CC(C)(C)OC(=O)NCC(N1CCN(CC1)C(c2c(C(F)(F)F)cccc2)=O)=O	10
+CC(C)(C)OC(NCC(N1CCc2c(Br)c(ccc2C1CC(=O)OC)F)=O)=O	10
+CC(C)(C)OC(=O)NCC(=O)N1CC(c2c(C1)cccc2)OC	10
+CC(C)(C)OC(NCC(NC1c2cccc3[nH]c(-c4ccccc4)c(CC1)c23)=O)=O	9
+CC(C)(C)OC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)OC	188
+CC(C)(C)OC(=O)NCC(NCCNC(=O)CC1c2n(-c3c(C(c4ccc(cc4)Cl)=N1)cc(cc3)OC)c(C)nn2)=O	9
+CC(C)(C)OC(=O)NCC(=O)NC(C(=O)OC)CCCCNC(OCc1ccccc1)=O	188
+CC(C)(C)OC(=O)NCC(N1CCN(CC1)Cc2sc3c(nc(nc3N4CCOCC4)-c5cnc(nc5)N)c2C)=O	10
+CC(C)(C)OC(=O)NCC(OS(=O)(=O)C)C	7
+CC(C)(C)OC(=O)NCC(CN(C)S(=O)(=O)c1c(cc(cc1)Cl)Cl)O	693
+CC(C)(C)OC(=O)NCC1OC(=O)N(c2cc3CCOC(=O)N(c3cc2)C)C1	7558
+CC(C)(C)OC(=O)NCC(COCC)N1C(c2ccccc2C1=O)=O	1579
+c1ccccc1C(CNC)c2ccc3[nH]ccc3c2	352
+CC(C)(C)OC(=O)NCC(c1ccc(cc1)Cl)CC(=O)Nc2ccccc2	33
+CC(C)(C)OC(NCC(c1ccccc1)NC(c2cc(c(Cl)cc2)NC(=O)c3c(O)nc4nc(nc(c4c3)C)OC)=O)=O	14
+CC(C)(C)OC(NCC1(CC12CCCCC2)C(NO)=N)=O	409
+CC(C)(C)OC(NCC1(C(C1)C(C)C)C(O)=O)=O	4
+CC(C)(C)OC(NCC1(CC1C(C)C)C(N)=O)=O	7559
+CC(C)(C)OC(NCC1(C(C)(C)C(CC1)Nc2c3n(cc(Br)c3)ncc2C(=O)N)C)=O	719
+CC(C)(C)OC(NCC1(C)C(C)(C)C(CC1)N)=O	102
+CC(C)(C)OC(NCC1(CC1)C(NNC(=O)C2CCC3N(OCc4ccccc4)C(=O)N2C3)=O)=O	1038
+CC(C)(C)OC(NCC1(CC1)C(=O)NN)=O	355
+CC(C)(C)OC(=O)NCC1(CC1)c2nnc(C3CCC4N(C(=O)N3C4)OCc5ccccc5)o2	1037
+CC(C)(C)OC(NCC1(C#N)C2(CCCCC2)C1)=O	143
+CC(C)(C)OC(=O)NCC1(CC12CCCCC2)C=3NC(=O)ON=3	3340
+CC(C)(C)OC(=O)NCC1(C#N)C(C(C)C)C1	143
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(CO)cc2C=1c3ccccc3)=O	49
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2cccc(c2)Br)C(OC)=O)=O)=O	188
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2ccc(cc2)Br)C(OC)=O)=O)=O	188
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2cc(ccc2)-c3cnc(nc3)N4CCOCC4)C(O)=O)=O)=O	1629
+CC(C)(C)OC(NCC1CCC(CC1)C(=O)NC(C(=O)O)Cc2ccc(cc2)-c3c(cc(cc3)C(NC(C)C)=O)Cl)=O	4
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2ccc(cc2)-c3c(cc(cc3)C(NC(C)C)=O)Cl)C(OC)=O)=O)=O	14
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2ccc(cc2)-c3ccc(cc3Cl)C(=O)O)C(OC)=O)=O)=O	11
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(C(O)=O)Cc2cc(Br)ccc2)=O)=O	4
+CC(C)(C)OC(NCC1CCC(CC1)CNC(=O)c2c3c(cccc3)nc(-c4ccc(nc4)F)c2)=O	14
+CC(C)(C)OC(NCC1CCC(CC1)NS(=O)(=O)C(C)C)=O	111
+CC(C)(C)OC(NCC1CCC(CC1)N)=O	102
+c1ccccc1COC(NC2CCC(CC2)CN)=O	12
+C1CC(CCC1CN)NS(=O)(=O)C(C)C	12
+CC(C)(C)OC(NCC1CCC(CC1)c2ccc(cc2)NC(C(OC)=O)=O)=O	994
+CC(C)(C)OC(=O)NCC1CCC(CC1)c2ccc(cc2)NC(=O)C(NN)=O	2556
+CC(C)(C)OC(=O)NCC1CCCCN1C(CCCCCCCCCCCC)=O	58
+O=S(=O)(C)CCC(NC(=O)c1cc(c(cc1)C(=O)N2CCCC2CN)Cl)c3nc4cc(ccc4[nH]3)Cl	12
+CC(C)(C)OC(NCC1CCCN1C(=O)c2c(cc(cc2)C(=O)NC(c3nc4ccc(cc4[nH]3)Cl)CCS(C)=O)Cl)=O	441
+CC(C)(C)OC(NCC1CCCN1C(=O)c2c(cc(cc2)C(=O)NC(CCS(=O)(=O)C)c3nc4cc(ccc4[nH]3)Cl)Cl)=O	2852
+CC(C)(C)OC(NCC1CCN(CC1)CCN)=O	51
+C1CN(CCC1CN)CC2CCN(CC2)C(=O)OC	12
+CC(C)(C)OC(NCC1CCN(CC1)c2ncc(cc2NC(=O)c3cc(Cl)ccc3)S(=O)(=O)C)=O	660
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(C=O)nc23)=O	3353
+CC(C)(C)OC(NCC1CCN(CC1)c2cc(C(Nc3ccccc3)=O)ccc2N)=O	0
+CC(C)(C)OC(NCC1CCN(CC1)c2c3c(ccc(C(O)CO)n3)ccc2)=O	265
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(-c4n5ccc(I)cc5nn4)nc23)=O	2149
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(C=NNc4cc(I)ccn4)nc23)=O	1698
+C1CC(CCN1c2cccc3ccc(nc23)-c4n5ccc(C(O)CO)cc5nn4)CN	12
+CC(C)(C)OC(NCC1CCN(CC1)c2c(N)cc(S(=O)(=O)C)cn2)=O	13
+C1CN(CCC1CN)c2ncc(cc2NC(=O)c3cc(Cl)ccc3)S(=O)(=O)C	12
+CC(C)(C)OC(=O)NCC1CCN(Cc2c(Cl)c(Cl)ccc2)C1	48
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(C4OC(C)(C)OC4)nc23)=O	4205
+CC(C)(C)OC(NCC1CCN(CC1)CC#N)=O	1576
+CC(C)(C)OC(NCC1CCN(CC1)c2c3nc(ccc3cc(F)c2)-c4n5c(nn4)cccc5)=O	4205
+CC(C)(C)OC(NCC1CCN(CC1)c2cc(ccc2[N+](=O)[O-])C(Nc3ccccc3)=O)=O	202
+CC(C)(C)OC(=O)NCC1CN(C1)c2c(cc(C(=O)OCC)c(n2)C)C#N	43
+CC(C)(C)OC(NCC1OC(N(c2cc(c(C3CCN(CC3)C(=O)CO)cc2)F)C1)=O)=O	7560
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(cc2C=1c3ccccc3)CCC(OCC)=O)=O	159
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(cc2C=1c3c(F)cccc3)O)=O	16
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(C=O)cc2C=1c3ccccc3)=O	39
+CC(C)(C)OC(NCC=1N(C(=O)c2c(cc(OCC(N)=O)cc2)C=1c3ccccc3F)CC(C)C)=O	2805
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2c(C=1c3ccccc3)cc(cc2)CCC(=O)N)=O	83
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2ccc(cc2C=1c3ccccc3)CCC(O)=O)=O	3
+CC(C)(C)OC(NCCNC1Cc2c(C1)ccc(c2)Br)=O	110
+CC(C)(C)OC(NCCNC1CCN(CC1)C(=O)OCc2ccccc2)=O	110
+CC(C)(C)OC(=O)NCCOc1cnc(c(C)c1C(=O)OC)OC(C)C	458
+CC(C)(C)OC(NCCn1c(c(-c2cccc(c2)C#N)c(c1)C(=O)OC)Cl)=O	1878
+CC(C)(C)OC(NCCOc1c(OC)cc(-c2ccc3nc(C)cn3n2)cc1)=O	8
+CC(C)(C)OC(=O)NCCOc1cc(C)c(c(c1)C)Br	8
+CC(C)(C)OC(NCCN1CCCN(c2c(cnn2C)[N+](=O)[O-])CC1)=O	28
+C(CC#Cc1ccc(C(NC)=O)c(n1)NCC)N	12
+CC(C)(C)OC(NCCC(Nc1ccc(cc1)CCCCNC(OCc2ccccc2)=O)=O)=O	213
+CC(C)(C)OC(N(CCC(C)C)CC)=O	2802
+CC(C)(C)OC(NCCC(O)CO[Si](C)(C)C(C)(C)C)=O	19
+CC(C)(C)OC(=O)NCCC(Nc1ccc(cc1)CCCCN)=O	102
+CC(C)(C)OC(NCCC(=O)CO[Si](C)(C)C(C)(C)C)=O	86
+O(Cc1cccc(C)n1)c2cc(C(CCN)O)ccc2	12
+CC(C)(C)OC(=O)NCCC(N)c1ccccc1	45
+CC(C)(C)OC(=O)N(CCC1CCC(CC1)COC(C)=O)C	397
+c1(cc(C(CCCN)=O)ccc1Br)F	12
+CC(C)(C)OC(NCCCC(NC(=O)C)C(=O)N1CCCC1C(NCC(=O)OCc2ccccc2)=O)=O	348
+CC(C)(C)OC(NCCCC(C(=O)O)NC(C)=O)=O	188
+CC(C)(C)OC(NCCCC(C(O)=O)NS(=O)(=O)c1c(cc(F)cc1)Cl)=O	592
+CC(C)(C)OC(NCCCC(CO)NS(=O)(=O)c1c(cc(cc1)F)Cl)=O	21
+OC(C(=O)OC)CCCN	12
+O=S(=O)(NC(CO)CCCN)c1c(cc(cc1)F)Cl	12
+c1cc(ccc1)COC(CNC(=O)C2CCCN2C(C(CCCN)NC(=O)C)=O)=O	12
+CC(C)(C)OC(NCCCC(C(OC)=O)O)=O	325
+CC(C)(C)OC(=O)NC(CCCCNC(=O)OC(C)(C)C)COS(=O)(=O)C	7
+CC(C)(C)OC(NCCCCCCCC(N(CCCC)C)=O)=O	10
+CN(C(=O)CCCCCCCN)CCCC	12
+CC(C)(C)OC(NCCCCCCCCCCCO)=O	21
+c1(Cl)cc(cc(Cl)c1)Sc2nc3c(N)ncnc3n2CCCNCCCCCCN	12
+CC(C)(C)OC(NCCCCN(Cc1c(cccn1)-c2ccccc2)Cc3ncc(cc3C)C)=O	315
+O=S(=O)(c1ccc(cc1)CN(Cc2ncc[nH]2)Cc3nccn3C)NCCCCN	12
+CC(C)(C)OC(NCCCCNc1c2ccc(cc2ncc1N)OCc3ccccc3)=O	13
+CC(C)(C)OC(=O)NCCCCc1ccc(cc1)OCCN	102
+CC(C)(C)OC(=O)NCCCN1CCC2(CC1)CCN(C2)c3ncnc4[nH]cc(c34)Cl	778
+CC(C)(C)OC(NCCCN(C(C1=Nc2onc(C)c2C(N1Cc3ccccc3)=O)CC)C(c4ccc(cc4)C)=O)=O	115
+CC(C)(C)OC(=O)NCCCNc1c2c(ncc1N)cccc2	13
+CC(C)(C)OC(NCCCNn1c(nc2c[n+]([O-])c3ccccc3c12)COCC)=O	359
+CC(C)(C)OC(NCCCNn1c2c3ccccc3[n+]([O-])c(c2nc1COCC)N)=O	574
+C(C)OCc1nc2c(N)nc3c(c2n1NCCCN)cccc3	12
+CC(C)(C)OC(NCCCNn1c2c(c(N)nc3c2cccc3)nc1COCC)=O	445
+CC(C)(C)OC(NCCCOc1cc2c(c3c(nc(n3CCC)CCOC)c(N)[n+]2[O-])cc1)=O	574
+CC(C)(C)OC(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	445
+c1c2c(ccc1OCCCN)c3c(c(N)n2)nc(CCOC)n3CCC	12
+Cc1nc(N)nc(NCCCCC)c1CCCN	12
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2ncc(c(Nc3ccc(cc3)OCCCC(=O)OCC)n2)[N+]([O-])=O)=O	55
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2nc3c(cn2)ncn3-c4ccc(cc4)OCCCC(=O)OCC)=O	2853
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2nc3c(cn2)ncn3-c4ccc(cc4)OCCCC(O)=O)=O	3
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2nc(c(cn2)N)Nc3ccc(cc3)OCCCC(=O)OCC)=O	193
+CC(C)(C)OC(NCCCc1ccc(cc1)N)=O	0
+CC(C)(C)c1c(cccc1)OCCNC(=O)OC(C)(C)C	72
+CC(C)(C)OC(=O)NCCn1c2c(c(ncn2)N)nc1Sc3cc(OC)ccc3I	7561
+CC(C)(C)OC(NCCCn1c(nc2c1c3ccccc3nc2N)CCCC)=O	445
+CC(C)(C)OC(NCCCn1c2c(nc1CCCC)c[n+](c3c2cccc3)[O-])=O	359
+CC(C)(C)OC(NCCCn1c2cc(C(=O)O)ccc2nc1Nc3cc(OC)c(c(OC)c3)OC)=O	1
+c12n(CCCN)c(CCCC)nc1c(N)nc3c2cccc3	12
+CC(C)(C)OC(NCCCn1c(CCCC)nc2c([n+]([O-])c3c(cccc3)c12)N)=O	574
+C(C(=O)O)N(CC(=O)O)CCN	12
+C1CC(CCC1)CN(S(=O)(=O)c2ccccn2)CCN	12
+FC(F)(F)Oc1ccc(cc1)CN(CCCCC)CCN	12
+NCCN	12
+CC(C)(C)OC(NCCNCc1ccccc1OC(C)(C)C)=O	42
+CC(C)(C)OC(NCCNS(=O)(=O)c1cccc2c1cccc2N(C)C)=O	71
+CC(C)(C)OC(NCCNc1c(C)c(C)nc(Cl)c1[N+]([O-])=O)=O	105
+CC(C)(C)OC(NCCNCc1ccc(cc1)OC(F)(F)F)=O	42
+c1(O)ccc(-c2cc(-c3cccc(c3)C(=O)NCCN)nc(O)n2)cc1C	7562
+CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cc(Br)cc2cnccc12	71
+CC(C)(C)OC(=O)NCCNC(c1cc(cnc1)-c2sc(Nc3c(cccn3)Cl)nc2)=O	56
+CC(C)(C)OC(=O)NCCNCc1cc(c(OCc2ccccc2F)cc1)OC	42
+CC(C)(C)OC(NCCNc1nc(c2c(cccc2)n1)N(c3ccc(c(OC)c3)OC)C)=O	798
+CC(C)(C)OC(NCCNc1cc(OC)ccc1[N+]([O-])=O)=O	60
+CC(C)(C)OC(=O)NCCN1C(=O)c2c(C1)cc(cc2)Br	854
+CC(C)(C)OC(NCCNc1c(ccc(Br)c1)[N+](=O)[O-])=O	60
+CC(C)(C)OC(NCCNC1CCC(CC1)(CC(OCc2ccccc2)=O)O)=O	87
+CC(C)(C)OC(NCCNCc1cc(c(cc1)OCc2ccccc2)OC)=O	42
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCNC(CCCCCNCCNC(OC(C)(C)C)=O)=O	132
+CC(C)(C)OC(=O)NCCNC(=O)CCNC(=O)OCc1ccccc1	9
+CC(C)(C)OC(NCCNc1c2c(ncc1[N+](=O)[O-])cc(OCc3ccccc3)cc2)=O	105
+CC(C)(C)OC(=O)NCCNc1c2ccccc2nc(c1)-c3ccccc3O	105
+C12CC(CCC1(C)C3C(O)CC4(C(CCC4C(=O)NCCN)C3CC2)C)O	12
+c1cc(ccc1Cl)C=2c3c(ccc(c3)OC)-n4c(C)nnc4C(N=2)CC(NCCN)=O	12
+c1cc(ccc1NC(=O)ON2C(CCC2=O)=O)NC(NCCN)=O	12
+C(C)C=CCC=CCC=CCC=CCC=CCCCCOC(CC)C(NCCN)=O	12
+CC(C)(C)OC(NCCNC(=O)CC(NC(OC(C)(C)C)=O)CCCN)=O	102
+CC(C)(C)OC(=O)NCCNC(=O)Nc1ccc(cc1)N	7563
+CC(C)(C)OC(=O)NCCN(Cc1cn(C2OCCCC2)nc1I)C	678
+CC(C)(C)OC(=O)NCCN(C(=O)c1ccc(cc1)F)Cc2ccc(c(OC)c2)OCc3ccccc3	115
+CC(C)(C)OC(NCCN(CCCCC)Cc1ccc(cc1)OC(F)(F)F)=O	61
+CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCN	12
+CC(C)(C)OC(NCCNc1c(C)c(nc(Oc2ccccc2)c1[N+]([O-])=O)C)=O	136
+CC(C)(C)OC(=O)NCCn1c2c(c(nc(c2C)C)Oc3ccccc3)nc1C	1700
+CC(C)(C)OC(NCCNc1c(C)c(C)nc(c1N)Oc2ccccc2)=O	13
+CC(C)(C)OC(NCCn1c2c(ccc(Br)c2)nc1)=O	2854
+CC(C)(C)OC(NCCNc1c(ccc(Br)c1)N)=O	0
+CC(C)(C)OC(NCCNc1c(cnc2c1ccc(c2)OCc3ccccc3)N)=O	13
+CC(C)(C)OC(NCCNc1cc(ccc1N)OC)=O	0
+NCCNc1nc(c2ccccc2n1)N(C)c3ccc(c(c3)OC)OC	12
+CC(C)(C)OC(NCCOCCNc1c2c(cccc2)ncc1N)=O	13
+CC(C)(C)OC(NCCOCCn1cnc2cnc3c(c12)cccc3)=O	919
+CC(C)(C)OC(NCCOCCOCC)=O	481
+CC(C)(C)OC(=O)NCCOCCOS(=O)(=O)C	7
+CC(C)(C)OC(=O)NCCOCCOc1cc([N+]([O-])=O)ccc1	20
+C(COCCN)OCC	12
+C(CCCCC)OCCOCCN	12
+C(CCOCCOCCN)CCCCl	12
+O=C(CCCCC(=O)O)NCCOCCOCCOCCN	12
+CC(C)(C)OC(NCCOCCOCCOCCOCCC(Nc1nc(c(-c2ccc(c(c2)S(=O)(=O)C)Cl)s1)C)=O)=O	373
+CC(C)(C)OC(NCCOCCOCCOCCOc1c(OC)c(OC)cc(C=O)c1)=O	494
+CC(C)(C)OC(NCCOCCn1c2c(c(N)nc3c2cccc3)nc1)=O	445
+CC(C)(C)OC(NCCOCCn1cnc2c(N)[n+](c3ccccc3c12)[O-])=O	574
+CC(C)(C)OC(NCCOCCn1cnc2c[n+](c3ccccc3c12)[O-])=O	359
+CC(C)(C)OC(NCCOc1c(OC)cc(-c2ccc3n(c(c(n3)C)-c4cc(c(N)nc4)C(F)(F)F)n2)cc1)=O	7564
+FC(F)(F)c1cc(cnc1N)-c2c(nc3ccc(-c4ccc(c(OC)c4)OCCN)nn23)C	12
+CC(C)(C)OC(NCCOc1cncc(-c2cc3CCC(=O)N(C)c3cc2)c1)=O	156
+C1C(CC1)(C=2c3cc(ccc3CCN=2)OCCN)c4nc(Cl)ccc4	12
+CC(C)(C)OC(NCCOc1c(OC)cc(cc1)NC(=O)c2[nH]cc(-c3ccc(cc3)Cl)c2)=O	187
+CC(C)(C)OC(NCCOc1ccc(cc1)NS(=O)(=O)c2ccccc2)=O	69
+CC(C)(C)OC(NCCOc1ccc(cc1)N)=O	0
+c1ccccc1S(=O)(=O)n2c3c(cc2)cc(cc3)OCCN	12
+CC(C)(C)OC(NCCc1ccc(cc1N)C(C)C)=O	0
+CC(C)(C)OC(=O)NCCc1ccc(cc1O)C(C)C	16
+CC(C)(C)OC(NCCc1c2c(cc(N)cc2)[nH]c1)=O	0
+c1c(cc(CCN)cc1)C#N	12
+CC(C)(C)OC(NCCc1ccc(cc1)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(NCCc1ccc(cc1)CN(C)C)=O	2141
+CC(C)(C)OC(NCCc1c(cc(C(C)C)cc1)NC(=O)C(OCC)=O)=O	994
+n1(CCN)c(Cl)c(c(C(=O)OC)c1)-c2cc(ccc2)C#N	12
+CC(C)(C)OC(NCCn1ncc2c(cc(C3CC3)nc12)C(=O)O)=O	6
+C1CC(CCN1C(c2cc3ccn(CCN)c3cc2)=O)Oc4ccc(cc4)Cl	12
+CC(C)(C)OC(=O)NCCn1c2c(ncnc2Nc3ccc(Oc4cc(ccc4)OC(F)(F)F)c(C)c3)cc1	1190
+c1ccccc1COc2cc3n(CCNC3=O)n2	7565
+c1ccccc1COc2nn(CCN)c(C(OCC)=O)c2	12
+CC(C)(C)OC(NCc1c(nc(c(C(O)=O)c1-c2ccc(cc2)C)C)CC(C)C)=O	1
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(C(=O)O)cc2)c1-c3ccccc3)=O	1
+CC(C)(C)OC(NCc1ccc(Cl)cc1CNC(=O)C2NCCCC2)=O	7566
+CC(C)(C)OC(NCc1c(Cl)c(N=C=S)c(Cl)c(F)c1)=O	1381
+CC(C)(C)OC(NCc1c(c(Cl)cc(C(OC)=O)c1)F)=O	128
+C1CN(CCN1c2c(cc([N+]([O-])=O)cc2C)CN)C	12
+c1c(CN)c(c(Cl)cc1C(=O)OC)F	12
+CC(C)(C)OC(NCc1c(cc(F)cc1)OCCCCS(=O)(=O)N(c2nc(C(=O)OC)c(c3c2cccn3)OC)C)=O	4206
+CC(C)(C)OC(NCc1c(nc(c(c1-c2ccc(cc2)C)C(OCCCC(=O)OCC)=O)C)CC(C)C)=O	1908
+CC(C)(C)OC(NCc1c(-c2ccc(cc2)C)c(c(nc1CC(C)C)C)C(OCC#N)=O)=O	7567
+CC(C)(C)OC(NCc1c(nc(c(c1-c2ccc(cc2)C)C(OCCCC(=O)O)=O)C)CC(C)C)=O	3
+c1cc(ccc1-c2cc3c(c(O)n2)cccc3CN)CN4CCN(CC4)C	12
+CC(C)(C)OC(=O)NCc1ccc(c(C(=O)Nc2ccc(OC)c(c2)C(Nc3ccc(cc3)Br)=O)c1)Cl	67
+CC(C)(C)OC(=O)NCc1cc(F)c(c(c1)F)Oc2cc(Oc3ccc(cc3)C#N)cc(C(=O)OCC)c2	46
+CC(C)(C)OC(NCc1cccc(NS(=O)(=O)C)c1)=O	80
+CC(C)(C)OC(=O)NCc1cc(ccc1)Nc2nc(Nc3c(C(=O)NC)cccc3)c(cn2)Cl	55
+CC(C)(C)OC(NCc1cc(C)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(OC)n1)=O	14
+CC(C)CCn1c(nc2cc(CN)ccc12)CN3c4ccccc4C(=O)N(C5CC5)C3=O	12
+CC(C)(C)OC(N(Cc1ccc2c(c1)nc(n2CCC(C)C)CN3c4ccccc4C(=O)N(C5CC5)C3=O)C)=O	397
+CC(C)(C)OC(NCc1c(CNC(C2N(C(=O)OCC3c4c(-c5c3cccc5)cccc4)CCCC2)=O)cc(Cl)cc1)=O	9
+CC(C)(C)OC(NCc1ccc(F)cc1OCCCCC(=O)O)=O	3
+CC(C)(C)OC(=O)NCc1ccc(c(c1)Cl)COC	49
+CC(C)(C)OC(=O)NCc1ccc(Cl)c(Nc2[nH]c3cc(c(Cl)cc3n2)N4C(CCC4)CN(C)C)c1	1701
+CC(C)(C)OC(=O)NCc1cc(Nc2n(C)c3c(n2)cc(C(=O)OCC)c(OCC(F)F)c3)c(Cl)cc1	1023
+c1(c(OCc2ccc(nc2)OC)ccc(c1)CN)OC	12
+c1cc(ccc1CN(CC(OCC)=O)CCCCN(CCC)CCC)CN	12
+CC(C)(C)OC(NCc1ccc(cc1)CN(CCCCN(CCC)CCC)CC(OCC)=O)=O	303
+CC(C)(C)OC(NCc1cc(N)ccc1)=O	0
+CC(C)(C)OC(NCC1CCCCN1)=O	4201
+CC(C)(C)OC(N(Cc1ncccc1)C)=O	397
+C1CCCC1N2C(CC)C(=O)N(C)c3cnc(-c4ccncc4CN)nc23	12
+CC(C)(C)OC(NCc1cc(c(c(OC)n1)CN)C)=O	388
+CC(C)(C)OC(=O)NCc1nc2C(=O)N(C(=O)N(C)c2[nH]1)CCCCC(O)C	2152
+CC(C)(C)OC(=O)NCc1ncc(CC(N2CCc3ccccc3C2)=O)c4c1cc(OC)c(OC)c4	10
+NCc1ncc(c2cc(OC)cc(OC)c12)C(=O)N3Cc4c(cccc4)CC3	12
+FC(F)(F)c1c(sc(CNC(=O)OC(C)(C)C)n1)C#N	1812
+CC(C)(C)OC(=O)NCc1ncc(CO)s1	4124
+CC(C)(C)OC(=O)NN(C1CCOCC1)c2nc(ncc2Br)C#N	738
+CC(C)(C)OC(NNC(C(c1cc(c(OC)cc1C)C(C)C)CCCCl)=O)=O	7568
+CC(C)(C)OC(=O)NNC(=O)c1ccc(C)c(-c2ccn3c(-c4c(cccc4)Cl)nnc3c2)c1	2031
+FC(F)(F)C=1N(C)C(N(C(=O)C=1)c2cc(C(NNC(=O)OC(C)(C)C)=O)c(Cl)cc2F)=O	7569
+CC(C)(C)OC(NNC(=O)c1ccccc1-c2nc3ccc(F)cn3c2Nc4c(cccc4C)C)=O	2031
+CC(C)(C)OC(=O)NNC(OCCc1ccc(cc1)[N+]([O-])=O)=O	7570
+CC(C)(C)OC(=O)NNC1CC2CC1CN2C(OCc3ccccc3)=O	3710
+CC(C)(C)OC(N(NC(=O)OC(C)(C)C)c1ccc2n(c(-c3occn3)cc2n1)Cc4ccccc4)=O	4207
+CC(C)(C)OC(=O)N(NC(=O)OC(C)(C)C)c1ccc2c(n1)cc(C#N)n2Cc3ccccc3	4207
+c1cc(ccc1C(=O)OC)C(=O)NN	1685
+c1(cccc(C)c1Nc2c(nc3ccc(F)cn23)-c4ccccc4C(NN)=O)C	1685
+CC(C)c1c(OC)cc(C)c(C(C(=O)NN)CCCCl)c1	2132
+CC(C)(C)OC(NN(c1c(Br)cnc(Cl)n1)C2CCOCC2)=O	7571
+CC(C)(C)OC(=O)Nn1c(COCC)nc2c(Cl)nc(C)c(C)c12	7572
+CC(C)(C)OC(NNc1c(N)c(nc(C)c1C)Cl)=O	13
+CC(C)(C)OC(=O)NNc1cc(C(=O)O)ccc1	1
+CC(C)(C)OC(=O)NN(C(C1C(C2(C)C(C)(C)C1CC2)=O)=O)c3c(cc(F)cc3)Cl	7573
+CC(C)(C)OC(=O)NOCCCCN1C(c2c(C1=O)cccc2)=O	7574
+CC(C)(C)OC(=O)NOCC(O)=O	4
+Cc1c(-c2c(cncc2)NC)cccc1	352
+CC(C)(C)OC(=O)N(C)c1cncnc1-c2c(C)cccc2	4136
+c1cc(ccc1-c2c(c(no2)C)N)Br	2809
+CC(C)(C)OC(=O)Nc1c(noc1-c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(NS(=O)(=O)C)=O)C	99
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)CC(NC(C)=O)C(=O)NCC(CC(C)(C)CC)O)cn(C)n1)=O	248
+c1cc(ccc1-c2c(nn(c2)C)N)CC(NC(=O)C)c3[nH]c(CC(C)(C)CC)cn3	451
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)CC(NC(=O)C)c3[nH]c(CC(C)(C)CC)cn3)cn(C)n1)=O	4186
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)CC(NC(C)=O)C(=O)NCC(CC(C)(C)CC)=O)cn(C)n1)=O	86
+CC(C)(C)OC(=O)Nc1ccc2c(c1-c3ccccc3)cccn2	495
+CC(C)(C)OC(Nc1sc(nc1C(=O)NC)-c2ccccc2)=O	2405
+CC(C)(C)OC(=O)Nc1c(c(C)ccc1)C(=O)Nc2ccc(cc2)C	67
+CC(C)(C)OC(Nc1c(C)ccc(c1)Oc2cnc(N)cc2)=O	161
+CC(C)(C)OC(Nc1cc(ccc1C)CC)=O	414
+CC(C)(C)OC(Nc1c(C)nc(nc1C)OCC(N(C2CCNCC2)C)=O)=O	25
+CC(C)(C)OC(Nc1c(C)nc(nc1C)OCC(N(C)C2CCN(CC2)c3ccccc3)=O)=O	7575
+CC(C)(C)OC(Nc1c(C)nc(nc1C)OCC(=O)N(C)C2CCN(CC2)Cc3ccccc3)=O	10
+c12c(n[nH]c1ccc(C=O)c2)C=Cc3cnccc3N	78
+Cc1cc2c(F)cccc2[nH]1	7576
+CC(C)(C)OC(=O)Nc1cc(C#N)cc(c1Cl)C(CCO)C	1382
+c1(Nc2ncc3c(sc(NC(C)=O)n3)n2)c(Cl)cc(F)c(N)c1	78
+CC(C)(C)OC(Nc1c(F)cc(Cl)c(Nc2ncc3nc(NC(C)=O)sc3n2)c1)=O	290
+CC(C)(C)OC(Nc1c(F)cc(Cl)c(c1)Nc2nc3c(nc(N)s3)cn2)=O	2811
+C1CC1C(Nc2nc3ccc(nc3s2)Oc4cc(N)c(cc4)F)=O	78
+Nc1c(I)cc(Cl)nc1	473
+c1(c(Cl)cc(c(N)c1)NC(CC(c2cc(-c3onc(c3)C)ncc2)=O)=O)N(C)CCOC	78
+O=C1Nc2c(NC1=O)c(C#N)c(s2)SC	7577
+CN(C)CCOc1ccc2sc(C(Nc3ccccc3N)=O)cc2c1	78
+C1CCC(C1)n2c3ncnc(Cl)c3c(-c4cc(OC)c(cc4)N)c2	78
+c1(-c2cnccc2)nc(Oc3cccc(C#N)c3)c(N)cn1	4208
+CC(C)(C)OC(=O)Nc1cc(N(C)C)c(cc1[N+]([O-])=O)C	202
+CC(C)(C)OC(Nc1cc(NC(C)C)c(Cl)cc1N)=O	0
+FC(F)(F)c1ccc(NC(OC(C)(C)C)=O)c(c1)N	0
+C[Si](C)(C)C#Cc1cc(c(cc1)NC(OC(C)(C)C)=O)[N+]([O-])=O	311
+CC(C)(C)OC(Nc1c(cc(-c2cc(F)ccc2F)cc1)[N+](=O)[O-])=O	134
+CC(C)(C)OC(Nc1ccc(-c2ccc(cc2)OC)cc1[N+](=O)[O-])=O	134
+CC(C)(C)OC(=O)Nc1ccc(-c2c(cccc2)F)cc1[N+](=O)[O-]	134
+CC(C)(C)OC(Nc1ccc(-c2cocc2)cc1[N+]([O-])=O)=O	7578
+CC(C)(C)OC(Nc1ccc(-c2occc2)cc1[N+]([O-])=O)=O	4209
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+](=O)[O-])-c2ccccc2Cl	7579
+CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccccc2)cc1[N+](=O)[O-]	129
+CC(C)(C)OC(Nc1c(c(OC)cc(OC)c1C)Cl)=O	662
+COc1c(Cl)c(N)c(c(OC)c1)C	78
+CC(C)(C)OC(=O)Nc1c(cc(cc1)-c2c(ccc(F)c2)F)N	0
+CC(C)(C)OC(=O)Nc1c(NC(=O)CC(=O)c2cccc(C#N)c2)cc(-c3occc3)cc1	1397
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+](=O)[O-])C#Cc2ccccc2F	129
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(cc1)C#Cc2c(cc(F)cc2)F)=O	129
+CC(C)(C)OC(=O)Nc1ccc(cc1[N+](=O)[O-])C#Cc2ccc(cc2)F	129
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(c(c1)NC(C)C)Cl)=O	205
+CC(C)(C)OC(=O)Nc1c(cc(c(c1)N(C)C)Cl)[N+](=O)[O-]	202
+CC(C)(C)OC(Nc1cc(N2CCSCC2)c(cc1N)C(F)(F)F)=O	0
+CC(C)(C)OC(Nc1ccc(-c2cccnc2)cc1N)=O	0
+CC(C)(C)OC(Nc1cc(Cl)ccc1C=CC(O)=O)=O	127
+CC(C)(C)OC(Nc1c(F)ccc(Oc2ccc3nc(sc3n2)N)c1)=O	2153
+CC(C)(C)OC(=O)Nc1c(ccc(N)c1)F	0
+CC(C)(C)OC(Nc1c(C)ccc(Oc2cnc([N+]([O-])=O)cc2)c1)=O	706
+CC(C)(C)OC(Nc1c(ccc(Oc2ncc(N)cc2)c1)F)=O	13
+CC(C)(C)OC(Nc1c(ccc(c1)Oc2cn3nc(nc3cc2)N)C)=O	982
+C1CC1C(=O)Nc2nc3n(cc(Oc4cc(c(C)cc4)N)cc3)n2	78
+CC(C)(C)OC(Nc1c(NC(c2cc3cc(OCCN(C)C)ccc3s2)=O)cccc1)=O	72
+CC(C)(C)OC(Nc1c(cccc1)NC(=O)c2cc3c(ccc(c3)O)s2)=O	818
+c1(c(N)c(ccc1)NC)F	78
+CC(C)(C)OC(Nc1c(nccc1C(=O)O)OC)=O	4210
+O(c1c(N)c(ccn1)C(=O)O)C	473
+c1ccccc1-c2c(ccs2)NC	352
+C(OCOc1cc2c(cc1)cccc2NC)COC	352
+Nc1c2c(nc(cc2)-c3[nH]ncc3)ccc1Cl	78
+CC(C)(C)OC(Nc1c2c(nn(-c3ccc(cc3)N)c2ncn1)I)=O	0
+Nc1c2c(ccc(OCC)c2)ccc1	78
+CC(C)(C)OC(=O)Nc1cc(C)cc(-c2ccncc2N=C=S)c1	7580
+c1(nc(cc(Br)c1)N)C(=O)OC	451
+CC(C)(C)OC(=O)Nc1onc(C(C)(C)CO)c1	168
+c1c(C)c(c(cc1N)C)Cc2ccc(c(Cc3ccc(cc3)F)c2)OC	78
+CC(C)(C)OC(Nc1cc(c(CN)c(OC)n1)C)=O	388
+CC(C)(C)OC(=O)Nc1cc(C)c(c(c1)C)C(c2ccc(OC)c(c2)Cc3ccc(cc3)F)O	257
+FC(F)(F)c1c(cc(c(c1)N)N)C	78
+C1CN(CCN1Cc2cc(N)cc(c2)C)C(C)=O	78
+c1cc(ccc1)-c2c(C3=NN(C(C=C3)=O)C(C)C)cc(cn2)N	473
+Nc1cc(ccc1[N+]([O-])=O)C=2CCCC=2	78
+CC(C)(C)OC(Nc1cc(C=O)ncn1)=O	7581
+CC(C)(C)OC(=O)Nc1cc(ncn1)CO	453
+c1cc([N+](=O)[O-])c2ccccc2c1OCCc3cc(NC(C)=O)ncc3	4107
+CC(C)(C)OC(Nc1cc(Cl)c(c(c1)Cl)OCC)=O	116
+c1(cc(cc(Cl)c1OCC)N)Cl	78
+CC(C)(C)OC(Nc1cc(ccc1C=CC(N2CCN(CC2)Cc3ccc(cc3)F)=O)Cl)=O	404
+CC(C)(C)OC(Nc1n2ncc(c2nc(c1)Cl)C=O)=O	2022
+CC(C)(C)OC(=O)Nc1ccnc(Cl)c1C=O	1031
+Fc1cc(cc(F)c1CSc2n(c(cn2)C(C)(C)c3ccc(Cl)c(OC)c3)-c4ccc(cc4)F)N	78
+c1cc(ccc1F)-c2cccc(c2)S(=O)(=O)N(C)c3cc(ccc3)N	78
+CC(C)(C)OC(=O)Nc1ccc(c(Nc2nc(ncc2Cl)Cl)c1)F	73
+CC(C)(C)OC(Nc1c(F)cc(c(Nc2ncc([N+]([O-])=O)c(SC#N)n2)c1)Cl)=O	55
+N1(C(C=C(C)C1=O)=O)c2cc(N3C(C(OC)=CC3=O)=O)cc(N)c2	78
+c1c(N)cc(cc1)N2CCc3n4nccc4ncc3C2	78
+CC(C)(C)OC(Nc1cc(N(S(=O)(=O)c2cc(ccc2)-c3ccc(cc3)F)C)ccc1)=O	416
+c1(C)ccc(N)cc1Nc2n(ncn2)-c3cc(NC)ncn3	78
+CC(C)(C)OC(Nc1c(c(OC)cc(OC)c1)C)=O	1297
+CC(C)(C)OC(Nc1c(ccc(c1)Oc2ccc3nc(NC(=O)OCC)nn3c2)C)=O	977
+CC(C)(C)OC(Nc1cc(C)c(cc1N)C(F)(F)F)=O	0
+CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1	14
+CC(C)(C)OC(=O)Nc1cc(N)c(CCOC(C)=O)c2ccccc12	0
+C(C)N(CC)c1c(C#N)cc2NC(CC(=Nc2c1)c3cc(ccc3)-c4onc(C)c4)=O	690
+CC(C)(C)OC(=O)Nc1c(cc(c(N2CCCC2)c1)Cl)N	0
+c1ccccc1COc2cc(cc(c2)OCCCCCCCCCCCCCCCCCC)N	78
+c1cc(ccc1)-c2oc(C3=CCCCC3Cc4cccc(c4)N)nc2-c5ccccc5	78
+CC(C)(C)OC(Nc1cccc(N2c3c(c(N)ncn3)N(c4ccc(cc4)Oc5ccccc5)C2=O)c1)=O	7582
+CC(C)(C)OC(=O)Nc1cc(cnc1Cl)Nc2c(-c3nc(nc(N)n3)C)cc(OC)cn2	2097
+CC(C)(C)OC(Nc1ccc2c(CC3(CC3)C2CC(O)=O)c1)=O	2154
+C1CC12Cc3cc(N)ccc3C2CC(=O)OC	78
+C1COCCN1C=2OC(c3c4Sc5ccc(N)cc5Sc4ccc3)=CC(C=2)=O	78
+CC(C)(C)OC(Nc1ccc2[nH]cc(CC(=O)OC)c2c1)=O	2155
+CN(C)c1nc2n(n1)ccc(c2)N	78
+CC(C)(C)OC(=O)Nc1c(cc(cc1)-c2ccc(cc2)OC)N	0
+c1cnc(SCOC)n1-c2cccc(C(=O)CC(=O)Nc3c(N)ccc(c3)-c4ccccc4F)c2	78
+n1n(cnn1)-c2cccc(C=3CC(Nc4c(ccc(c4)-c5ccccc5F)N=3)=O)c2	690
+c1c(c(ccc1)F)-c2cc(c(N)cc2)NC(=O)CC(c3sc(cc3)C#N)=O	78
+c12ccc(-c3cnccc3)cc1NC(CC(c4cccc(C#N)c4)=N2)=O	7583
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(OC)=O)CNC(=O)NC	67
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(C(Nc4ccccc4)=O)CNC(C)=O	67
+CC(C)(C)OC(Nc1ccc(cc1N)-c2cocc2)=O	0
+CC(C)(C)OC(Nc1c(cc(-c2ccco2)cc1)N)=O	0
+CC(C)(C)OC(=O)Nc1c(C(OCc2ccccc2)=O)c(c(Br)cc1)C	470
+CC(C)(C)OC(Nc1ccc(C(OCC)=O)cc1N)=O	0
+CC(C)(C)OC(Nc1ccc(cc1C)C(c2ccc(cc2)Cl)=C)=O	2855
+C1CC1Nc2c3scc(C(Nc4c(C)ccc(N)c4)=O)c3ncn2	78
+CN(C)CCOc1c(C)ccc(N)c1	78
+CC(C)(C)OC(Nc1ccc(CCI)nc1)=O	343
+Nc1ccc(c(C2(C)NC(=N)c3n(c(c(Cl)n3)C#N)C2)c1)F	7584
+c1c(cccc1C(=O)CC(=O)Nc2c(N)ccc(I)c2)C#N	78
+CC(C)(C)OC(Nc1ccc(cc1N)N2CCCC2)=O	0
+c1cc(ccc1-c2ccc3c([nH]nc3c2F)N)N	78
+c1cc(ccc1N)C(N2CC(CC2)Nc3ncc(Cl)c(-c4c5c(n(S(=O)(=O)c6ccccc6)c4)cccc5)n3)=O	78
+CC(C)(C)OC(Nc1ccc(cc1)CCOc2ccc(cc2)CC(OCC)C(OCC)=O)=O	126
+CC(C)(C)OC(Nc1ccc(cc1)CCOc2ccc(cc2)CC(OCC)C(O)=O)=O	3
+c1cc(ccc1N)Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC	78
+c1cc(ccc1Cl)C(=O)c2cc(c(N)cc2)Br	78
+CC(C)(C)OC(Nc1ccc(cc1C)C2(c3ccc(cc3)Cl)ON=C(C)C2)=O	7585
+c1cc(ccc1Cl)C2(c3ccc(c(c3)C)N)ON=C(C)C2	78
+CC(C)(C)OC(=O)Nc1c(F)cc(cc1)-c2ccc3c(n[nH]c3c2F)N	575
+CC(C)(C)OC(Nc1ccc(cc1F)-c2ccc(C#N)c(c2F)F)=O	368
+CC(C)(C)OC(=O)Nc1ccc(-c2sccc2)cc1NC(N(C)C)=O	2083
+C1CC2CCN1CC2Oc3nnc(cc3)-c4ccc(c(c4)[N+](=O)[O-])N	78
+CC(C)(C)OC(Nc1ccc(cc1N)-c2cccs2)=O	0
+CC(C)(C)OC(Nc1ccc(cc1[N+](=O)[O-])-c2sccc2)=O	809
+c1[nH]c2c(c1CC(OC)=O)cc(N)cc2	78
+CC(C)(C)OC(Nc1cc2c(C(CC(=O)OC)C3(CC3)C2)cc1)=O	325
+C1CN(CCN1C)c2ccc(Nc3nc4c(C=C(CC)C(=O)N4c5cc(N)ccc5)cn3)c(OC)c2	78
+CC(C)(C)OC(Nc1cccc(N2c3c(cnc(S(C)=O)n3)C=C(CC)C2=O)c1)=O	172
+c1cc(ccc1Oc2ccccc2)N3c4c(N)ncnc4N(C3=O)c5cccc(c5)N	78
+CC(C)(C)OC(=O)Nc1cc(N(C2CC2)c3ncc([N+]([O-])=O)c(SC#N)n3)ccc1	4211
+CC(C)(C)OC(=O)Nc1cc(ccc1)C=Cc2cc(OC)cc([N+](=O)[O-])c2	722
+CC(C)(C)OC(=O)Nc1nc(CCN)ccc1	18
+CC(C)(C)OC(=O)Nc1nc(CCOS(=O)(=O)c2ccc(cc2)C)ccc1	36
+Nc1cccc2CCCN(C)c12	78
+CC(C)(C)OC(=O)Nc1c(C(O)=O)ccnc1	4210
+C1CCN(C1)c2nc3cc(ccn3n2)N	78
+CC(C)(C)OC(Nc1c(C=Cc2c3c(n[nH]2)ccc(C=O)c3)cncc1)=O	146
+Nc1ccsc1C(Nc2cccc(OC)c2)=O	4029
+c1c(nn2cc(nc2c1)N)I	2856
+CC(C)(C)OC(=O)Nc1nc(C)c(CN)nc1	4212
+Cc1nc(cnc1CNC(c2nnn(Cc3ccc4c(ccc(n4)C)c3)c2)=O)N	2856
+CC(C)(C)OC(Nc1conc1-c2ccc(cc2)OCc3cccnc3)=O	20
+c1cc(ccc1-c2nocc2N)OCc3cccnc3	2809
+CC(C)(C)OC(Nc1cc(sc1)C#Cc2c(cccc2)NC(N)=O)=O	3220
+CC(C)(C)OC(Nc1scc(C(O)=O)n1)=O	6
+CC(C)(C)OC(Nc1scc(CO)n1)=O	1171
+CC(C)(C)OC(Nc1nc(CCO)cs1)=O	44
+CC(C)(C)OC(Nc1nc(cs1)CCOS(=O)(=O)C)=O	7
+CC(C)(C)OC(Nc1nc(CCc2cc(Nc3c(F)cnc(Cl)n3)ccc2)ccc1)=O	73
+c1(nc(N)sc1)CN(C)C(c2nccnc2C)=O	1398
+C1N(c2nc(ccc2)N)CCCC1NC(C=C)=O	451
+c1ccccc1-c2cc(cc(N)n2)Cl	451
+CC(C)(C)OC(Nc1nc(CCc2cccc(N)c2)ccc1)=O	801
+CC(C)(C)OC(=O)Nc1scc(n1)CCOc2ccc(cc2)F	885
+C1CN(CCC1c2ccccc2)Cc3cnc(N)s3	1398
+c1(C=2NC(=O)ON=2)cnc(cc1)N	451
+O=S(=O)(C)c1cccc(-c2cc3c(c(N4CCOCC4)nc(n3)-c5cnc(nc5)N)cc2F)c1	7586
+n1cc(ncc1N)COC(C)=O	2856
+CC(C)(C)OC(=O)Nc1ncc(CO)s1	1503
+c1cc(ccc1C(Nc2ncc3c(Br)cn(c3c2)CC)=O)C(=O)OC	7587
+Nc1nccc(Cl)c1C=O	451
+CC(C)(C)OC(=O)Nc1cc(ccn1)CCc2cccc(c2)N	1702
+CC(C)(C)OC(Nc1nccc(Oc2cnc(cc2)N)c1)=O	161
+CC(C)(C)OC(=O)Nc1cc(no1)-c2cc(ccc2)-c3ccc(cc3)C(=O)N4CCN(CC4)C(OCc5ccccc5)=O	99
+CC(C)(C)OC(=O)Nc1c(C#N)c(c(C(=O)O)s1)C	1
+c1cc(ccc1)C(=O)c2ccc(s2)N	2813
+c1cc(ccc1)-c2sc(c(C(NC)=O)n2)N	2808
+CC(C)(C)OC(=O)Nc1c(nc(-c2c(F)cc(cc2F)C3CCOCC3)s1)C(OCC)=O	4213
+CC(C)(C)OC(Nc1nc(C(N(C)C)=O)cs1)=O	837
+CC(C)(C)OC(N1CC(CC1Cc2c3ccccc3[nH]c2C)O)=O	7588
+CC(C)(C)OC(=O)c1cc(Cl)nc(c1)Cl	1933
+CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(O)=O	1885
+CC(C)(C)OC(C1C(CCC1)NS(=O)(=O)c2ccc(cc2)OCc3c4c(nc(c3)C)cccc4)=O	1885
+CC(C)(C)OC(=O)c1cc(Cl)nc(c1)C	1933
+c1cc(ccc1-c2nn3c(SC)nccc3c2C(C=CN(C)C)=O)F	7589
+CC(C)(C)OC(c1ccc(cc1)SCCCCCCCCCC(OC)=O)=O	1933
+CC(C)(C)OC(Oc1cc(c(cc1)OC(CCI)c2ccccc2)C)=O	363
+CC(C)(C)c1ccc(cc1OCc2ccccc2)O	7590
+CC(C)(C)OC(Oc1cc(C)c(cc1)OC(c2ccccc2)CCCl)=O	4214
+CC(C)(C)OC(Oc1ccccc1C(O)=O)=O	500
+CC(C)(C)OC(c1c(c(c(CC(O)=O)[nH]1)C(OCC)=O)C)=O	3
+CC(C)(C)OC(c1c(-c2ccc(cc2)Cl)c3sc(nc3cc1C)-c4ccnc(c4)N5CCN(CC5)CC)C(OCC)=O	183
+CC(C)(C)OC(c1c(cc2nc(sc2c1-c3ccc(cc3)Cl)-c4ccnc(c4)N5CCN(CC5)CC)C)C(O)=O	3
+CC(C)(C)OC(c1c(cc2c(c1-c3ccc(cc3)Cl)sc(-c4cc(c(cc4)NC)[N+](=O)[O-])n2)C)C(=O)OCC	7591
+CC(C)(C)OC(c1c(nc2cc(-c3cc(Cl)ccc3)nn2c1-c4c(C)c5CCCOc5c(F)c4)C)C(OC)=O	4153
+CC(C)(C)OC(c1c(cc(COc2cc(c(cc2)Cl)Cl)c(Cl)c1)F)=O	20
+c1c(I)cc(c(Nc2c(ccc3sncc23)C(=O)O)c1)F	153
+c1cc(ccc1Br)C2(CCCC2)Cc3nc(C(=O)O)c(c(O)n3)OCc4ccccc4	153
+Clc1cccc(Cl)c1Cc2nc(c(c(n2)O)OCc3ccccc3)C(=O)O	153
+CC(C)(C)OC(C(=O)O)c1c(ccc2ccccc12)OCc3ccccc3	3
+CC(C)(C)OC(=O)c1c(N)cc(C#N)cn1	13
+C(C)OC(c1c(CC(=O)O)[nH]cc1C)=O	7592
+CC(C)(C)OC(c1oc2c(c1C)c(c(cc2)Br)OC)=O	65
+CC(C)(C)OC(c1c(c2c(nc(c(O)c2C)C)s1)N)=O	2156
+CC(C)(C)OC(c1c(F)cc(c(Cl)c1)CO)=O	35
+O(Cc1c(cc(C(=O)O)c(F)c1)Cl)c2cc(c(Cl)cc2)Cl	153
+FC(F)(F)c1c(ccc(Oc2c(Cl)cc(C(=O)O)c(F)c2)c1)Cl	153
+CC(C)(C)OC(c1c(cc2nc(sc2c1-c3ccc(cc3)Cl)-c4ccc(NC)c(c4)N)C)C(=O)OCC	0
+CC(C)(C)OC(c1ccccc1-c2cc(c(cc2)Cn3c(C=O)c(nc3OCCC)Br)F)=O	371
+C1CCCCN1c2cc3c(c(c(nc3cc2)C)C(=O)O)-c4ccc(cc4)F	153
+CC(C)(C)OC(=O)c1cc(F)sc1-c2cc(c(cc2)-c3ccc(cc3)C4(CC4)C(=O)OCC)OC	4215
+CC(C)(C)OC(=O)c1cc(F)sc1-c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(=O)OCC	4215
+C1(c2c(cccc2)-n3c(C4CCN14)c(nc3)C(O)=O)=O	153
+c1(C)nc(cc(C(=O)O)c1)CC	153
+CC(C)(C)OC(c1cc(N(C)C)nc(CC)c1)=O	2651
+CC(C)(C)OC(c1cc(Cl)c(cc1F)Oc2cnc(c(Cl)c2)OCC(F)(F)C(F)F)=O	551
+CC(C)(C)OC(c1c(cc(c(c1)Cl)Oc2ccc(c(C(F)(F)F)c2)Cl)F)=O	46
+FC(F)(COc1c(Cl)cc(Oc2c(Cl)cc(C(=O)O)c(c2)F)cn1)C(F)F	153
+CC(C)(C)OC(c1cc2nncn2c(Cl)c1)=O	7593
+c1c(F)c(c(cc1C(O)=O)F)CSc2n(c(cn2)C(C)(C)c3ccc(Cl)c(OC)c3)-c4ccc(cc4)F	153
+C1CC1c2c(cc(cn2)Oc3cc(c(C(O)=O)cc3Cl)F)OC(F)(F)C	153
+C[Si](C)(C)C#Cc1cc(C(=O)OC(C)(C)C)ccc1	311
+CC(C)(C)OC(c1sc2NC(=O)C(=Cc3ccc[nH]3)c2c1)=O	7594
+C(C)OC(=O)n1nc(NC(c2c(cccc2)[N+]([O-])=O)=O)c3cc(sc13)C(=O)O	153
+CC(C)(C)OC(=O)c1ccc(-c2c(F)cccc2)nc1	119
+CC(C)(C)OC(c1ccc(c([N+]([O-])=O)c1)NC2CCN(CC2)c3nc(c4c(cc(c(OC)c4)OC)n3)N)=O	549
+C1CC(CCN1c2nc(c3c(cc(c(OC)c3)OC)n2)N)Nc4ccc(cc4[N+](=O)[O-])C(=O)O	153
+CC(C)(C)OC(=O)c1cc(C)c(cc1)-c2ccc(cc2)C#N	11
+CC(C)(C)OC(c1ccc(cc1)Oc2c(cc3c(OCCC3C(OCC)=O)c2)Cl)=O	304
+CC(C)(C)OC(=O)c1ccc(cc1)CCCCO	213
+c1cc(ccc1CCCCOCCCCBr)C(=O)O	153
+CC(C)(C)OC(c1ccc(cc1)N(c2ccc(C(=O)O)c(OC)c2)Cc3scnc3)=O	1
+c1cc(ccc1C(O)=O)N(c2cc(OC)c(cc2)C(N)=O)Cc3scnc3	153
+CC(C)(C)OC(c1ccc(cc1)N(c2cc(OC)c(cc2)C(N)=O)Cc3scnc3)=O	169
+CC1(C)C(C)(C)OB(O1)c2cccc(C(Nc3ccc(cc3)C(=O)OC(C)(C)C)=O)c2	67
+CC(C)(C)OC(c1ccc(cc1)NC(=O)C(C)N2C=C(C#N)C(=CC2=O)Br)=O	33
+CC(C)(C)OC(c1ccc(cc1)NC(=O)C(C)N2C(=O)C=C(c3c(ccc(Cl)c3)C#N)C(=C2)OCC)=O	33
+c1cc(ccc1NC(=O)C(C)N2C(=O)C=C(c3c(ccc(Cl)c3)C#N)C(=C2)OCC)C(O)=O	153
+CC(C)(C)OC(c1ccc(cc1)NC(C(C)N2C(C=C(c3cc(Cl)ccc3C4CC4)C(C#N)=C2)=O)=O)=O	7595
+FC(F)(F)Oc1c(cc(cc1)Cl)C2=CC(=O)N(C(C)C(=O)Nc3ccc(cc3)C(=O)OC(C)(C)C)C=C2C#N	7596
+CC(C)(C)OC(c1ccc(cc1)Oc2c(cc3C(CCOc3c2)C(=O)OC)C#N)=O	46
+c1cc(ccc1Oc2c(cc3C(CCOc3c2)C(=O)OC)C#N)C(=O)O	153
+c1cc(ccc1C(=O)O)Oc2c(cc3c(OCCC3C(OCC)=O)c2)Cl	153
+CC(C)(C)OC(c1ccc(cc1)SCCCCCCCCCC(O)=O)=O	4
+CC(C)(C)OC(=O)c1c([N+](=O)[O-])cc(C(O)=O)cc1	1
+CC(C)(C)OC(c1ccc(C(=O)O)cn1)=O	1
+CC(C)(C)OC(c1ccccc1-c2ccc(Cn3c(nc(Br)c3C=NO)OCCC)c(F)c2)=O	2513
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(nc(C(CCC)O)c3C#N)CCC)=O	3458
+c1cc(ccc1-c2c(cccc2)C(=O)O)Cn3c(C)c(C)c4cc(ccc34)C(NC(C)c5ccccc5OC)=O	7597
+c1cc(ccc1Cn2c(c(C(O)CCC)nc2CCC)C(=O)N)-c3c(cccc3)C(=O)O	153
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(C)c(c4cc(C(=O)O)ccc34)C)=O	6
+CC(C)(C)OC(c1ccccc1-c2ccc(cc2)Cn3c(c(C(O)CCC)nc3CCC)C(=O)N)=O	2782
+CC(C)(C)OC(=O)c1c(CN2CN(C3(CCNCC3)C2=O)c4ccccc4)cccc1	62
+c1n(nnc1C(=O)O)CC(CCc2cc3c(nn2)[nH]c(-c4c(cccc4)F)c3)F	153
+CC(C)(C)OC(c1cnc(c(c1)Cl)NNC(=O)c2ccccc2)=O	898
+CC(C)(C)OC(c1cc(Cl)c2n(c(nn2)-c3ccccc3)c1)=O	7598
+CC(C)(C)OC(=O)c1nc(-c2ccc3N(CCN(c3c2)C(Nc4nc5c(cccc5)s4)=O)C)ccc1	2143
+CC(C)(C)OC(c1c([N+]([O-])=O)cc(C#N)cn1)=O	1684
+CC(C)(C)OC(c1nccc(c1)Oc2ccc(NC(Nc3ccc(c(C(F)(F)F)c3)Cl)=O)c(c2)F)=O	124
+FC(F)(F)c1c(ccc(NC(Nc2c(F)cc(Oc3ccnc(C(O)=O)c3)cc2)=O)c1)Cl	153
+CC(C)(C)OC(c1cn(CC(F)CCc2nnc3c(cc(-c4c(cccc4)F)[nH]3)c2)nn1)=O	587
+o1c2c(c(c1C(=O)O)C)c(OC)c(cc2)Br	153
+c1(C=C2c3cc(C(=O)O)sc3NC2=O)ccc[nH]1	153
+CC(C)(C)OC(c1cc2c(NC(=O)c3c([N+]([O-])=O)cccc3)nn(C(=O)OCC)c2s1)=O	330
+CC(C)(C)OC(=O)n1c(-c2c(Cl)nc3ccccc3c2)cc4c1ccc(c4)C(=O)C	155
+O=S(=O)(NC1CCCCC1)c2c(Cl)ccc(-c3[nH]c4ccccc4c3)c2	535
+O=S(=O)(c1cc(-c2cc3c(cccc3)[nH]2)ccc1Cl)Cc4cc(Cl)ccc4	535
+CC(C)(C)OC(=O)n1c(ccc1-c2ccc(cc2)NS(=O)(=O)CC)C#N	7599
+CC(C)(C)OC(=O)n1c(cc(n1)Nc2c3c(nc(C(F)(F)c4ccc(F)cn4)n2)cc(cc3)OC)C	349
+c1(C(C)C(=O)OCC)cc2c(cccc2)[nH]1	535
+CC(C)(C)OC(=O)n1c(ccc1-c2cc(OC(COC)C)cc(c2)Oc3ccc(cc3)S(=O)(=O)C)C(=O)OCC	7600
+CC(C)(C)OC(n1c(nc2ccc(C(O)C(F)(F)F)cc12)-c3c(C)cccc3C)=O	714
+CC(C)(C)OC(n1c2c(c(CN(C)CCN(C)C(=O)OC(C)(C)C)n1)c(ccc2)OCCCC3OC(C)(C)OC3)=O	262
+CC(C)(C)OC(=O)n1nc(c2ccc(cc12)OCCOCc3ccccc3)N	8
+CC(C)(C)OC(=O)n1c2cccc(C=CCO)c2cc1	4216
+CC(C)(C)OC(n1c2ccc(CN3C(c4ccccc4C3=O)=O)c(Cl)c2cc1)=O	1930
+CC(C)(C)OC(n1c2c(cc1)c(NC(C3CCN(CC3)Cc4ccccc4)=O)ccn2)=O	131
+CC(C)(C)OC(n1c(-c2c(Cl)nc3ccccc3c2)cc4c1ccc(C(C)O)c4)=O	449
+CC(C)(C)OC(n1c(-c2cc(c(Cl)cc2)S(=O)(=O)NC3CCCCC3)cc4ccccc14)=O	7601
+CC(C)(C)OC(=O)n1nc(CCCN)c2c1c(ccc2Nc3c(-c4ncccn4)oc5cnccc35)Cl	18
+CC(C)(C)OC(n1c2c(ccc(Nc3c(-c4ncccn4)oc5cnccc35)c2c(CCCN=[N+]=[N-])n1)Cl)=O	133
+CC(C)(C)OC(=O)n1c(C)cc2ccc(S(=O)(=O)C)cc12	593
+CC(C)(C)OC(=O)n1cc(c2ccc(cc12)-c3cc([N+]([O-])=O)cc([N+]([O-])=O)c3)CC(OCC)=O	492
+CC(C)(C)OC(n1c2c(cn1)ccc(c2)NC(=O)c3ccccc3O)=O	67
+c1c(c2c(cc1F)C=3c4c(C(N(C)C=3)=O)[nH]cc4CN2C(=O)OCC)F	2817
+CC(C)(C)OC(=O)n1nc(-c2ccccc2)c3cc(C)c(cc13)N	0
+CC(C)(C)OC(n1ccc2c1ccc(c2Cl)CN)=O	45
+CC(C)(C)OC(=O)n1c2c(c(n1)-c3ccccc3)cc(NS(=O)(=O)c4cc(F)ccc4)cc2	69
+CC(C)(C)OC(=O)n1c2c(cc(O)cc2)cc1C(=O)OCC	16
+C(C)OC(c1cc2cc(ccc2[nH]1)OCCSC)=O	535
+CC(C)(C)OC(n1c2c(cc1)c(C=CC(=O)OCC)ccc2)=O	530
+CC(C)(C)OC(=O)n1c2cccc(c2c(Cl)n1)N	0
+Cc1cc(cc(C)c1S(=O)(=O)N(C)C(Cc2c3c(cccc3)[nH]c2)C)C	535
+CC(C)(C)OC(=O)n1c2cnc(-n3ncnc3)cc2c(c1)C=CC(OCC)=O	4217
+C1CCN(C1)Cc2nc(c3sc(-c4c(C)n[nH]c4)cc3n2)O	921
+CC(C)(C)OC(n1c2c3C(c4cc(cc(F)c4N(C(OCC)=O)Cc3c1)F)=CN(C)C2=O)=O	1199
+c1(cc(Oc2cc3c(cc2)C(N(CO3)C)=O)cc(OC(COC)C)c1)C(Nc4[nH]ncc4)=O	921
+CC(C)(C)OC(n1c2c(cc1)c(ccn2)NC(C3CCNCC3)=O)=O	62
+CC(C)(C)OC(=O)n1c2c(cccc2cc1)CSC	4218
+CC(C)(C)OC(=O)n1c2c(F)cc(N=C=S)c(C)c2nc1	1695
+CC(C)(C)OC(=O)n1c2c(nc1)c(C)c(N)cc2	0
+CC(C)(C)OC(=O)n1c2c(ccc(c2)Nc3c4nccn4cc(n3)Br)nc1	1638
+C1CN(CCC1)CCCC(=O)Nc2[nH]nc(c2)-c3cnc(OC)cc3	921
+CC(C)(C)OC(=O)n1nc(-c2ccccc2)c3ccc(Nc4ccccc4OC)cc13	230
+CC(C)(C)OC(n1cc(C(NO)=N)c(C)n1)=O	7602
+CC(C)(C)OC(n1c2c(ccc(Nc3c(-c4ncccn4)oc5cnccc35)c2c(CCCOS(=O)(=O)C)n1)Cl)=O	7
+CC(C)(C)OC(=O)n1c2ccc(OC(F)F)cc2c(n1)I	7603
+Cc1c(c([nH]n1)C)-c2cc(Cl)c(cc2)C#N	921
+O=C1N(C=C(c2cn[nH]c2)c3cc(OC)c(OC)cc13)CC	921
+c1(cccc(-c2c[nH]nc2)n1)C(=O)OC	921
+CC(C)(C)OC1CN(S(=O)(=O)c2ccc3c(cccc3)c2)C(CO)C1	118
+c1ccccc1COCC2CC(CN2S(=O)(=O)c3cc4c(cc3)cccc4)O	1041
+CC(C)(C)OC1CC(N(S(=O)(=O)c2cc3c(cc2)cccc3)C1)COCc4ccccc4	21
+CC(C)(C)OC1CC(N(S(=O)(=O)c2cc3c(cc2)cccc3)C1)COCc4ccccc4	149
+CC(C)(C)OCC(COC)(COC)C1CCCCC1	76
+CC(C)(C)OCC1=C(C(C=2C(=O)OC(CC=2N1)c3c(cc(cc3C)C)C)c4cccc(c4)CC(=O)N)C(=O)OCC	83
+CC(C)(C)OCCCON1C(c2c(C1=O)cccc2)=O	1395
+CC(C)(C)OCCCON	670
+CC(C)(C)OCCOCCOCCOCCN	45
+CC(C)(C)OCCOCCOCCOCCOS(=O)(=O)c1ccc(cc1)C	36
+CC(C)(C)OCCOCCOCCOCCN1C(c2c(C1=O)cccc2)=O	2140
+CC(C)(C)OCCONC(=O)C=1C(=C(C(=O)N2CCCC=12)F)Nc3c(F)cc(I)cc3	7604
+c1c(I)cc(c(c1)NC=2C(C(NOCCO)=O)=C3CCCN3C(=O)C=2F)F	1041
+c1c2c(ccc1)nc(-c3cc(cnc3N)-c4cnn(CCO)c4)o2	1041
+CC(C)c1onc(CO)c1C(OC)=O	1041
+CC1(C)N(CCCOCCOCCOC)C(C(C)(C)N1Cl)=O	7605
+FC(F)(F)c1ccc(cc1)CC(=O)C(OCC)OC(C)(C)C	7606
+c1c2ccc(C#N)cc2c(Cl)c(O)c1	7607
+CC(C)(C)ONC(=O)C1(C)C(CCOC1)NS(=O)(=O)c2ccc(cc2)OCc3ccccc3	7608
+CC(C)(C)ON=C1c2cc(ccc2OC(=C1)c3ncn4c(c3)ccc4)OCCCl	72
+O(c1cccnc1OCC(OC)=O)C(C)=O	4219
+c1(c(Cl)ncc(OC(=O)C)c1)C	4219
+CC(C)(C)ONC(=O)C1(C)C(CCOC1)NS(=O)(=O)c2ccc(cc2)O	16
+c1cc(ccc1S(=O)(=O)NC2CCOCC2(C)C(=O)NO)OCc3c4c(nc(c3)C)cccc4	4220
+C1CCC(C1)(Sc2ccc(cc2)Oc3ccccc3)CC(=O)NO	4220
+CC(C)(C)[Si](C)(C)OCc1cccc(c1COP(OCC=C)(OCC=C)=O)C	7609
+c1cc(ccc1OC)COC(=O)c2c(COP(OCC=C)(OCC=C)=O)cc(F)cc2	7610
+Fc1c(F)cn(c1)-c2cc(c(cc2)[N+]([O-])=O)O	7611
+CC(C)(C)Oc1cccc(Cl)c1C=O	1937
+CC(C)(C)Oc1c(C=O)cccc1	39
+C1CC(CCN1CCc2nc(O)cnc2)COc3c(cccc3)F	7612
+CC(C)(C)Oc1ncc(cc1)C(=O)O	1
+CC(C)(C)Oc1ccc(CO)cn1	382
+CC(C)(C)Oc1ncc(C(=O)OC)cc1	272
+CC(C)(C)Sc1c(C=O)cccc1	411
+CC(C)(C)Sc1ccc(Cc2c(C)[nH]c3c2cc(C(=O)OC)cc3)c(c1)Cl	1524
+CC(C)(C)Sc1ccc(cc1)[N+]([O-])=O	411
+CC(C)(C)Sc1n2c(c(ncc2)N)c(Br)n1	7613
+CC(C)(C)S(N=CCC(C(OCC)=O)C)=O	7614
+CC(C)(C)S(=O)N=C(c1c(C#N)c(cc(Cl)c1)F)c2cc(OC)ccc2	4221
+CC(C)(C)S(N=C(c1cccc(c1C#N)F)c2ccc(F)c(Br)c2)=O	4221
+FC(F)(F)c1cc(ccn1)C2(NC(c3c(cc(Cl)cc23)F)=N)c4cc(ccc4)OC	7615
+C1CC2(CCC1OC)Cc3ccc(cc3C2=N)OCCCF	2857
+C1CC2(CCC1OC)Cc3cc(c(Br)cc3C2=N)F	2857
+C1COCCC1C(N)C	499
+FC(F)(F)c1ncc(cc1)C(N)C	499
+CCOC(=O)C(C)CC(c1c(cccc1OCC)F)N	499
+c1(cccc(OC)c1C(CC(C(OCC)=O)C)N)OC	499
+FC(F)(CO)C1(C2(CC2)COc3ccc(cc13)Br)N	499
+CC(C)(C)S(=O)NC1(C2(CC2)COc3c1cc(Br)cc3)C(F)(F)CO	44
+FC(F)(F)c1cc(C2(c3cccnc3C(=N2)N)c4cc(OCCCF)ccc4)ccc1OC	7616
+c1cc(ccn1)C2(c3cccc(F)c3C(N2)=N)c4ccc(c(Br)c4)F	7617
+c1ncncc1C2(c3cc(c(cc3)F)Br)NC(=N)c4c(F)cccc24	7618
+C1CC12CCc3c(cc(cc3)Br)C2=N	2857
+CC(C)(C)S(=O)NC(c1c(OC)cccc1OC)CC(C(=O)OCC)C	4222
+CC(C)(C)S(NC(CCCC(OC)=O)c1c(OC)cccc1OC)=O	4222
+c1(cc(Br)c(F)cc1F)C(C)(CCO)N	499
+c1cc(ccc1)-c2c(C(N)CC(C)C(OCC)=O)cccc2	499
+O(CC)C(C(C)CC(c1c(cccc1F)OC)N)=O	499
+CC(C)(C)S(NC(c1cc(ncc1)C(N)=O)CC)=O	1200
+n1cc(cc(C(CCC)N)c1)Br	499
+COc1cccc(OC)c1C(CCCC(OC)=O)N	499
+FC(F)(F)C(O)CC(CF)(c1c(ccc(Br)n1)F)N	499
+CCC(c1ccnc(c1)C(=O)N)N	499
+CC(C)(C)S(NC(CC)c1ccnc(c1)C#N)=O	1704
+c1cc(ccc1-c2cc(C(N)C)no2)Cl	499
+CC(C)(C)Sc1c(CC(=O)OCC)[nH]c2ccc(cc12)OC	7619
+CC(C)(C)Sc1c(CC(C)(C)C(=O)OCC)n(Cc2ccc(cc2)Br)c3c1cc(OC)cc3	7620
+CC(C)(C)Sc1ccccc1C=C	443
+FC(F)(F)c1cnc(-c2ccc(cc2)CC(C(=O)OCC)c3c(c4cc(ccc4[nH]3)OC)SC(C)(C)C)cc1	7621
+CC(C)(C)Sc1c2c(n(Cc3ccc(cc3)Br)c1CC(C)(C)C(=O)OCC)ccc(c2)O	5
+CC(C)(C)Sc1ccc(Cc2c([nH]c3ccc(cc23)C(=O)O)C)c(c1)Cl	1
+CC(C)(C)Sc1ccc(c(c1)Cl)Cc2c3c(ccc(c3)C(NS(=O)(=O)CCCCC)=O)[nH]c2C	258
+CC1(C)OB(OC1(C)C)c2ccc(cc2)SC(C)(C)C	585
+CC(C)(C)Sc1ccc(cc1)NCCC(=O)OCC	7622
+CC(C)(C)Sc1ccc(cc1)N2CCC(O)=C(C2=O)C#N	4223
+CC(C)(C)Sc1ccc(cc1)N(CCC(OCC)=O)C(=O)CC#N	429
+CC(C)(C)Sc1ccc(cc1)N	0
+CC(C)(C)NC(=O)C(CCC=C)(C1CCC(CC1)C2(OCCO2)c3ccc(cc3)Cl)NC(C)=O	2433
+CC(C)(C)[SiH2]OC(C)(C)C1CCC(CC1)COS(=O)(=O)C	7
+CC(C)(C)[SiH2]OC(C)(C)C1CCC(CC1)CC#N	300
+CC(C)(C)[SiH2]OC(C)(C)C1N(c2cc(cnc2)-c3ccc4c(CCC(=O)N4C)c3)CCC1	156
+CC(C)(c1c(ccc(CNC(=O)CC)c1)Cl)O	1412
+CC(C)(C)[SiH2]OC(C)(C)c1cc(C2(OCCO2)C)ncc1	7623
+C1COC(O1)(C)c2cc(C(C)(C)O)ccn2	1412
+CC(C)(C)[SiH2]OC(C)(C)c1cc(ccc1Cl)CN	817
+CC(C)(C)[SiH2]OC(C)(C)c1cc(ccc1Cl)C=NO	135
+CC(C)(C)[SiH2]OC(C)(C)c1c(Cl)ccc(CNC(=O)CC)c1	68
+CC(C)(C)[SiH2]OC(C)(C)c1cc(nc(Nc2ncc(C#N)s2)c1)Cl	1178
+CC(C)(C)[SiH2]OCc1cc(Nc2ncc(C#N)s2)nc(Cl)c1	2696
+CC(C)(C)[SiH2]OC(C)(C)c1cccc(n1)C(O)C	1394
+CC(C)(C)[SiH2]OC(C)(C)c1cccc(C(C)=O)n1	955
+CC(C)(C)[SiH2]OC(C)(C)c1cc(C(=O)C)ncc1	7624
+CC(C)(C)[SiH2]OC(C)(C)c1cccc(n1)C(O)C	4224
+CC(C)(C)[SiH2]OC(C)(C)c1nc(C=O)ccc1	178
+n1c(Nc2cc(CO)cc(Cl)n2)sc(c1)C#N	1412
+CC(C)(C)[Si](C)(C)OCc1cccc(c1)-c2cnc(N)cc2	7625
+CC(C)(C)[Si](C)(C)C#Cc1c(cc(Br)cn1)F	961
+CC(C)(C)[Si](C)(C)C#Cc1ncc(cc1F)-c2ccc(cc2)Cl	2056
+c1cc(ccc1Cl)-c2cc(c(C#C)nc2)F	7626
+CC(C)(C)[Si](C)(C)CCCOCC(CN)O	906
+CC(C)(C)[Si](C)(C)OC1C2CCC(C(CCO[Si](C)(C)C(C)(C)C)=C)C2(CCC1)C	19
+CC(C)(C)c1nn(c(N)c1)CCO[Si](C)(C)C(C)(C)C	19
+CC(C)(C)c1nc(c2c[nH]nc2n1)N3CC(O[Si](C)(C)C(C)(C)C)CC3	19
+CC(C)(C)[Si](C)(C)OCC(C)(C)CCC#N	19
+CC(C)(C)[Si](C)(C)OCC(N)CC(C)(C)F	19
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)C(C)(C)O	19
+CC(C)(C)[Si](C)(C)OCC(C(C)C)N1c2cc(c(Br)cc2C(=O)C(=C1)C(OCC)=O)OC	19
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)Sc2cc3C=C(C)C(C)(C)Oc3cc2	154
+CC(C)(C)[Si](C)(C)OC1CCC2(C)C(C1(C)C)CCC=3C4=CCC(C(C)CCC(=O)OC)C4(C)CCC2=3	19
+CC(C)(C)[Si](C)(C)OCCC(O)C1=CC(N(C=C1)C2=CC(C)(C)Oc3c2cc(C#N)cc3)=O	19
+CC(C)(C)[Si](C)(C)OC(C)C1NC(C)(C)CC(=O)C1	19
+CC(C)(C)[Si](C)(C)OCCCc1c(Br)cc2C(C)(C)CCC(C)(C)c2c1	19
+CC(C)(C)[Si](C)(C)OC1CC(C)CC(c2ccncc2[N+]([O-])=O)=C1	947
+CC(C)(C)[Si](C)(C)OCCC(O)CCCCCCCCCCC	19
+CC(C)(C)[Si](C)(C)Oc1cc(C)ccc1Cl	154
+CC(C)(C)[Si](C)(C)OCC(Nc1c([N+](=O)[O-])c(Cl)nc(c1C)C)C	19
+CC(C)(C)[Si](C)(C)OCCSc1ccc(c(C)n1)[N+]([O-])=O	19
+CC(C)(C)[Si](C)(C)Oc1cc(Br)c(Cl)cc1	154
+CC(C)(C)[Si](C)(C)OCc1cc(cc(Cl)c1)C(=O)OC	19
+CC(C)(C)[Si](C)(C)OCC(O)c1ccc(Cl)c(F)c1	19
+CC(C)(C)[Si](C)(C)OCc1n(c2ccc(cc2c1)Cl)CCCSC	19
+CC(C)(C)[Si](C)(C)OC(c1cccc(Cl)c1)C(=O)OC	4225
+CC(C)(C)[Si](C)(C)OC(c1cc(ccc1)Cl)C=C	947
+CC(C)(C)[Si](C)(C)OCCC(C(O)=O)Cn1cc(cn1)Cl	19
+CC(C)(C)[Si](C)(C)OCC1C(CC(N2C(NC(=O)C(C#CCNC(=O)C(F)(F)F)=C2)=O)O1)O	19
+FC(F)(F)c1cc(c(cc1)N2CCCC(C2)O[Si](C)(C)C(C)(C)C)[N+](=O)[O-]	19
+CC(C)(C)[Si](C)(C)OCC(=O)N1C(C(=O)N)CC(C1)F	1952
+CC(C)(C)[Si](C)(C)OCCc1ccccc1F	19
+CC(C)(C)[Si](C)(C)OCCc1ccccc1C#N	19
+CC(C)(C)[Si](C)(C)OC1C2=NC(C)=C(C(=O)N2CCC1)CCCl	19
+CC(C)(C)[Si](C)(C)OC1C(C(OCOC)CC=2C1CON=2)OC(OC)=O	19
+CC(C)(C)[Si](C)(C)Oc1cc(c(N)cc1)[N+]([O-])=O	154
+CC(C)(C)[Si](C)(C)OCc1ncc(Br)c(c1C)OC	19
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1OC)C(C)=O)OC	154
+CC(C)(C)[Si](C)(C)OC(CC(C)=O)CC(OC)=O	19
+CC(C)(C)[Si](C)(C)OC1CCN(C(Nc2c(C)c(Cl)c(C#N)cc2)=O)C1C(=O)OC	19
+CC(C)(C)[Si](C)(C)OCCCON1C(c2c(C1=O)cccc2)=O	19
+CC(C)(C)[Si](C)(C)Oc1c2nc(C=O)ccc2ccc1	2858
+CC(C)(C)[Si](C)(C)OC(CI)c1ccc(c(NS(=O)(=O)C)c1)OCc2ccccc2	19
+CC(C)(C)[Si](C)(C)OCCCNc1ccc(NS(=O)(=O)c2ccc(cc2)NC(C)=O)cc1[N+]([O-])=O	19
+CC(C)(C)[Si](C)(C)OC(CCl)CC(OC)=O	19
+CC(C)(C)[Si](C)(C)OC1CC2C(C)(C3CCC4(C(c5ccoc5)CCC4(C3CC2)O)C)CC1	19
+CC(C)(C)[Si](C)(C)OCC1(CC1)CO	19
+CC(C)(C)[Si](C)(C)OCCO	19
+CC(C)(C)[Si](C)(C)OCCOCCO	19
+CC(C)(C)[Si](C)(C)OCc1ccc(c(n1)NC)C	19
+CC(C)(C)[Si](C)(C)OCCOc1cc(c(cc1)[N+](=O)[O-])C	19
+CC(C)(C)[Si](C)(C)OCCc1cc(C)cs1	19
+CC(C)(C)[Si](C)(C)OCc1cc(cs1)C	19
+CC(C)(C)[Si](C)(C)OCC1CCCN(c2ccccc2C=O)C1	19
+CC(C)(C)[Si](C)(C)OCCSCc1ccnc(Nc2ncc(F)c(c2)-c3c(OC)cc(cc3)F)c1	19
+CC(C)(C)[Si](C)(C)OCc1nc(Cl)cc(OC)c1	19
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)-c2ccccc2[N+]([O-])=O	154
+CC(C)(C)[Si](C)(C)OCc1cc(-c2cc([N+](=O)[O-])ccc2F)ccc1	19
+CC(C)(C)[Si](C)(C)Oc1c(cc(F)c(c1)F)OC	154
+CC(C)(C)[Si](C)(C)OCCc1ccsc1Br	19
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1OC)C=O	154
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(C)c1)Br	154
+CC(C)(C)[Si](C)(C)OCC1=Cn2ccc(c2C(N1)=O)C	947
+CC(C)(C)[Si](C)(C)OC1CN2C(c3ccccc3NC(C2C1)=O)=O	19
+CC(C)(C)[Si](C)(C)OC(C)C(Nc1ccc(c(Cl)c1C)C#N)C(NNC(c2ccc3c(c2)cc[nH]3)=O)=O	19
+CC(C)(C)[Si](C)(C)Oc1ccc2cn[nH]c2c1	154
+CC(C)(C)[Si](C)(C)Oc1ccc(Br)c2ccccc12	154
+CC(C)(C)[Si](C)(C)OC(CNCc1occc1)Cn2c3ccccc3c4c2cccc4	19
+CC(C)(C)[Si](C)(C)OCCc1c[nH]c2c1c(nc(n2)SC)Cl	19
+CC(C)(C)[Si](C)(C)Oc1c(NC(=S)Nc2c(Br)cccc2)ccc(c1)C#N	154
+CC(C)(C)[Si](C)(C)OCc1nc(Br)ccc1	19
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(c1)C)C=O	154
+CC(C)(C)[Si](C)(C)OCc1cc(C)c(Br)cc1	19
+CC(C)(C)[Si](C)(C)OCc1c2c(ccc1)C(=O)CCN2CC	19
+CC(C)(C)[Si](C)(C)OCc1cc(cc(Br)c1)CO	19
+CC(C)(C)[Si](C)(C)OCc1cc2c(n[nH]c2C(OC)=O)cc1	19
+CC(C)(C)[Si](C)(C)Oc1c(cc(Oc2c(cc(cc2Cl)[N+](=O)[O-])Cl)cc1)C(C)C	154
+CC(C)(C)[Si](C)(C)OCc1cccc(c1)N	19
+CC(C)(C)[Si](C)(C)Oc1cccc(N)c1	154
+CC(C)(C)[Si](C)(C)Oc1cccc(O)c1	154
+CC(C)(C)[Si](C)(C)Oc1ccc(c(Br)c1)[N+]([O-])=O	154
+CC(C)(C)[Si](C)(C)Oc1cc(cc(F)c1)Br	154
+CC(C)(C)[Si](C)(C)OCc1cc2c(n1C)ccc(Br)c2	19
+CC(C)(C)[Si](C)(C)Oc1ccc(C(C)=O)cc1CC	154
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1F)F	154
+CC(C)(C)[Si](C)(C)OCC1C(O)Cc2ccccc12	19
+CC(C)(C)[Si](C)(C)Oc1cc2c([nH]nc2)cc1	154
+CC(C)(C)[Si](C)(C)Oc1ccc2c(cc[nH]2)c1	154
+CC(C)(C)[Si](C)(C)Oc1c(Br)ccc2ccc(C)nc12	2858
+CC(C)(C)[Si](C)(C)OCc1ccc(c(c1)[N+]([O-])=O)C(=O)OC	19
+CC(C)(C)[Si](C)(C)OCc1cccc(C)c1CO	19
+CC(C)(C)[Si](C)(C)OCCSc1ccc2NCCc2c1	19
+CC(C)(C)[Si](C)(C)OC(c1ncco1)C2CCc3cc(ccc3C2)-c4ccccc4	19
+CC(C)(C)[Si](C)(C)OCCCCCCCCOc1cc([N+]([O-])=O)c(cc1)-c2ccccc2	19
+CC(C)(C)[Si](C)(C)OCC(CO)c1ccccc1	19
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCC(O[Si](C)(C)C(C)(C)C)CC(C(=O)O)CCCCCCC	19
+CC(C)(C)[Si](C)(C)OCCN(Cc1ccccc1)CCC2OCCO2	19
+CC(C)(C)[Si](C)(C)OCCCC1NCCN(C1)Cc2ccccc2	19
+CC(C)(C)[Si](C)(C)OCCC(O)C1N(CCC1)C(C2CCCN2C(NCc3ccccc3)=O)=O	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)CCC(=O)OCc2ccccc2	154
+CC(C)(C)[Si](C)(C)OC1C(CN(C(=O)OCc2ccccc2)C1)N	19
+CC(C)(C)[Si](C)(C)OCC(Nc1nc(ccc1[N+]([O-])=O)OC)COCc2ccccc2	19
+CC(C)(C)[Si](C)(C)OCC(O)COCc1ccccc1	19
+CC(C)(C)[Si](C)(C)OCCCc1ccc(cc1)Br	19
+CC(C)(C)[Si](C)(C)OC(C(Nc1ccc(c(Cl)c1)C#N)C(NNC(c2ccc(cc2)C#N)=O)=O)C	19
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C(=O)O	19
+CC(C)(C)[Si](C)(C)OCC(c1ccc(cc1)Cl)O	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2c3c(C(C2C(OCC)=O)=O)cccc3	154
+CC(C)(C)[Si](C)(C)OCC(Cc1ccc(cc1)Br)C	19
+CC(C)(C)[Si](C)(C)OC(c1cccc(N2C(=O)C(Cc3ccc(cc3)-c4ccccc4C#N)=C(N=C2C)CCCC)c1)C	19
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)Br	19
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)F	19
+CC(C)(C)[Si](C)(C)OCC(c1c(F)ccc(c1)Br)(NCc2ccc(cc2)OC)C	19
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C=O	19
+CC(C)(C)[Si](C)(C)OC1CC(C(OC)=O)N(C(OCc2ccc(cc2)OC)=O)C1	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)Cc2c(sc(c2)Br)Cl	154
+CC(C)(C)[Si](C)(C)OC(Cc1ccc(cc1)F)CCC2NC(CC2)=O	19
+CC(C)(C)[Si](C)(C)OC(C)C(Nc1ccc(c(Cl)c1C)C#N)C(NNC(=O)c2ccc(cc2)I)=O	19
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)I	19
+CC(C)(C)[Si](C)(C)OCCCc1c(nc2ccnn2c1Nc3ccc(cc3)OCC)Cl	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)O	154
+CC(C)(C)[Si](C)(C)OC(CC=C)CCC1C(c2c(ccc(c2OC1)F)F)S(=O)(=O)c3ccc(cc3)Cl	19
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)[N+](=O)[O-]	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)[N+]([O-])=O	154
+CC(C)(C)[Si](C)(C)Oc1c(c(cc(N2C(c3c(C2=O)cccc3)=O)c1)C(=O)OCc4ccc(cc4)[N+]([O-])=O)C	154
+CC(C)(C)[Si](C)(C)OCCc1ccncc1	19
+CC(C)(C)[Si](C)(C)OCc1ccncc1	19
+CC(C)(C)[Si](C)(C)OCC1(c2c(-c3c1cccc3)cccc2)COC	19
+CC(C)(C)[Si](C)(C)OCCCSc1c(C#N)cnc2c1cc(cc2)I	19
+CC(C)(C)[Si](C)(C)OCc1[nH]c2ncccc2c1	19
+CC(C)(C)[Si](C)(C)Oc1c2cc[nH]c2ccc1	154
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)N2C(=O)c3ccccc3C2=O	19
+CC(C)(C)[Si](C)(C)OCCSc1c2c(ccc(c2)F)nc(CC)c1-c3ccccc3	19
+CC(C)(C)[Si](C)(C)OCC(C)(C)c1cc(N)n(-c2ccccc2)n1	19
+CC(C)(C)[Si](C)(C)OCCC(c1ccccc1)(CCCl)O	19
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CCO[Si](C)(C)C(C)(C)C)O	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C(Cc2ccccc2)=O	154
+CC(C)(C)[Si](C)(C)OCCOc1ccc(cc1)C(CCc2ccccc2)=O	19
+CC(C)(C)[Si](C)(C)OCCc1cc([N+](=O)[O-])cc(F)c1N(Cc2ccccc2)C	19
+CC(C)(C)[Si](C)(C)OCCC1N(Cc2ccccc2)C(C(OC1)C)=O	19
+CC(C)(C)[Si](C)(C)OCC1(N)CC(N(CC1)C(=O)OCc2ccccc2)C	19
+CC(C)(C)[Si](C)(C)OCC(C)NC(=O)OCc1ccccc1	19
+CC(C)(C)[Si](C)(C)OC1CN(C(OCc2ccccc2)=O)C(C(O)=O)C1	19
+CC(C)(C)[Si](C)(C)OCC(O)c1cc(NC(=O)OCc2ccccc2)ccc1	19
+CC(C)(C)[Si](C)(C)OCC=1CC(CCOCc2ccccc2)CCC=1	947
+CC(C)(C)[Si](C)(C)OCC(C)CCCOCc1ccccc1	19
+CC(C)(C)[Si](C)(C)OC(c1ccc(c(c1)C(OC)=O)OCc2ccccc2)CBr	19
+CC(C)(C)[Si](C)(C)OCC(O)Cc1ccc2CCCc2c1OCc3ccccc3	19
+CC(C)(C)[Si](C)(C)OCCNc1c2c(ncc1[N+](=O)[O-])cc(OCc3ccccc3)cc2	19
+CC(C)(C)[Si](C)(C)Oc1c(cc(OCc2ccccc2)cc1)Br	154
+CC(C)(C)[Si](C)(C)OCC(Cc1oc(cc1)C(Nc2ccccc2)=O)C(O)C	19
+CC(C)(C)[Si](C)(C)OCCNc1ccccc1	19
+CC(C)(C)[Si](C)(C)OCc1ccc(C)c(Nc2ccnc(Cl)n2)c1	19
+CC(C)(C)[Si](C)(C)OCc1cnc(nc1)Nc2ccccc2	19
+CC(C)(C)[Si](C)(C)OCCc1c(Cl)nc2ccnn2c1Cl	19
+CC(C)(C)[Si](C)(C)N1CCN(CC1)CCC#N	987
+c1cc(ccc1Cc2c(C)nc3c(c2C)c(ccc3Cl)CC(=O)OC)Cl	7627
+CC(C)(C)[Si](C)(C)OC(C(NC(=O)OC(C)(C)C)C(C)C)CC(O)=O	4
+CC(C)(C)[Si](C)(C)OC(C(CO)C)C1COC(C)(C)O1	2859
+CC(C)(C)[Si](C)(C)OC(C1COC(C)(C)O1)C(CN=[N+]=[N-])C	3422
+FC(F)(F)C(O)CC(C)(C)c1ccccn1	35
+CC(C)(C)[Si](C)(C)OC(C)C(c1nnc(o1)-c2ccc(cc2)C#N)Nc3cc(Cl)c(C#N)cc3	877
+CC(C)(C)[Si](C)(C)OC(C)(C)CC(=O)NC(C#N)c1cc(ccc1OC)Cl	9
+CC(C)(C)[Si](C)(C)OC(C)(C)Cn1c2c(cn1)cc(cc2)Oc3ccc(cc3CN)F	107
+CC(C)(C)[Si](C)(C)OC(C)C(Nc1ccc(c(Cl)c1C)C#N)c2nnc(o2)-c3cc4c([nH]cc4)cc3	1705
+c1cc(ccc1-c2oc(C(Nc3ccc(C#N)c(Cl)c3)C(C)O)nn2)C#N	35
+CC(C)(C)[Si](C)(C)OC(C1CC(O)CC(C)(C)N1)C	100
+CC(C)(C)[Si](C)(C)OC(CONC(=O)C1=C(Nc2c(F)cc(Br)cc2)N(C(C=C1)=O)C)C	7628
+CC(C)(C)[Si](C)(C)OC(C1CC(Oc2ccc(-c3c(OC)cc(-n4nccc4)cc3)nn2)CC(C)(C)N1)C	485
+CC(C)(C)[Si](C)(C)OC(C(CN=[N+]=[N-])C)C(CO)O	265
+c1ccccc1Oc2cc3CCC(Cc3cc2)C(O)c4ncc(-c5cccc(C(=O)OC)n5)o4	35
+CC(C)(C)[Si](C)(C)OC(Cc1cc(-c2ccccc2)ccc1)CCC3CCC(N3CCCc4ccc(cc4)C(=O)OC)=O	638
+CC(C)(C)[Si](C)(C)OC(CCC1CCC(N1CCCc2ccc(cc2)C(OC)=O)=O)Cc3cc(F)ccc3	638
+CC(C)(C)[Si](C)(C)OC(CCCC(C=CC1C(OC2CCCCO2)CC(Cl)C1CCCc3ccc(C(OC)=O)s3)O)C	1565
+C1(CC(C(C=CC(O)CCCC(O)C)C1CCCc2sc(C(=O)OC)cc2)OC3OCCCC3)Cl	35
+OB(O)c1ccc(cc1)OC(C(O)CCc2cnccc2)C	35
+CC(C)(C)[Si](C)(C)OC(CCc1cnccc1)C(Oc2ccc(cc2)B(O)O)C	579
+CC(C)(C)[Si](C)(C)OC(CCc1cnccc1)C(Oc2ccc(cc2)B(O)O)C	281
+CC(C)OB(OC(C)C)c1ccc(cc1)OC(C(CCc2cnccc2)O[Si](C)(C)C(C)(C)C)C	585
+CC(C)(C)[Si](C)(C)OC(CC=O)CCl	59
+FC(F)(F)C(Nc1ccc(cc1)C#CCCCNCC(c2c3c(nc(O)cc3)c(O)cc2)O[Si](C)(C)C(C)(C)C)=O	132
+CC(C)(C)[Si](C)(C)OC(c1c2c(nc(O)cc2)c(O)cc1)CNCC3(CCN(CC3)CCCOCCc4ccccc4)O	122
+c1c(cc(c(NC2=C(C=CC(=O)N2C)C(NOCC(O)C)=O)c1)F)Br	35
+CC(C)(C)[Si](C)(C)OC(CCC1CCC(N1CCCc2ccc(cc2)C(=O)OC)=O)Cc3ccc(cc3)F	638
+CC(C)(C)[Si](C)(C)OCCc1ccc(CCO)s1	21
+c1ccccc1CCOCCCN2CCC(CC2)(O)CNCC(O)c3ccc(O)c4nc(O)ccc34	35
+c1(cc(ccc1)C(O)CC(CC=C)O)Br	35
+COC(OC)c1nc2c(CCCN2C(Nc3ncc(C#N)c(NCCOC)c3)=O)cc1C(O)C	35
+CC(C)(C)[Si](C)(C)OC(c1cc2c(nc1C(OC)OC)N(C(Nc3ncc(C#N)c(NCCOC)c3)=O)CCC2)C	2861
+CC(C)(C)[Si](C)(C)OC(CBr)c1cc(CO)c(OCc2ccccc2)cc1	98
+CC(C)(C)[Si](C)(C)OC(c1ccc(cc1)C(NO)=N)CN2CC(C(OCC)=O)CCC2	253
+CC(C)(c1ccccc1CCC(c2cccc(C=Cc3nc4c(ccc(Cl)c4)cc3)c2)O)OC5OCCCC5	35
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(F)CC(O)CC2	118
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(CC(CC2)OS(=O)(=O)C)F	7
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCO	347
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCNc2c([N+]([O-])=O)cnc3ccccc23	105
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCN	18
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCNc2c(cnc3ccccc23)N	13
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCN=[N+]=[N-]	133
+CC(C)(C)[Si](C)(C)OC1(CCN(CC1)C(=O)OC(C)(C)C)c2nc(cn2CCO)-c3ccc(c(C)c3)F	168
+CC(C)(C)[Si](C)(C)OC1CCN(Cc2ccc(cc2)C)C1=O	806
+CC(C)(C)[Si](C)(C)OC1CCN(C1=O)Cc2ccc(cc2)Cl	806
+CC(C)(C)[Si](C)(C)OC1COC(c2cnccc2)C1CCC(=O)O	4
+CC(C)(C)[Si](C)(C)OC1COC(c2cccnc2)C1C=CC(OC)=O	1667
+CC(C)(C)[Si](C)(C)OC1CC(N)CC1COCc2ccccc2	18
+CC(C)(C)[Si](C)(C)OC1CC(Oc2cc(ncn2)NC3C(OC)Cc4c3cccc4)CC1CO	35
+CC(C)(C)[Si](C)(C)OC1C(CN(C(OCc2ccccc2)=O)C1)Nc3cc(c(-c4ccc(nc4OC)C(C)C)nc3)C	3526
+CC(C)(C)[Si](C)(C)OC1CN(CC1C=C)C(OC(C)(C)C)=O	2800
+CC(C)(C)[Si](C)(C)OC1C(CC(Oc2cc(NC3c4ccccc4CC3OC)ncn2)C1)CO[Si](C)(C)C(C)(C)C	40
+CC(C)(C)OC(NC1(C(CCC1)O)CNc2ccc(c(c2C)Cl)C#N)=O	35
+CC(C)(C)[Si](C)(C)OC1C(NC(=O)OC(C)(C)C)(CCC1)CNc2c(c(c(cc2)C#N)Cl)C	291
+C1CC(CCC1)NC(=O)NC2COC3C(COC23)O	35
+CC(C)(O)CCCC(C)C1C2(C)C(CCC1)C(O)CCC2	35
+CC(C)(C)[Si](C)(C)OCCC1(C2C3(C)C(CC2)C(CCC3)O[Si](C)(C)C(C)(C)C)CC1C(OCC)=O	7629
+CC(C)(C)[Si](C)(C)OC1C=C(CC=C)C(C1)(O)C	7630
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)OCc2ccc(cc2)OC)C(C(O)=O)C1	4
+CC(C)(C)[Si](C)(C)OC1CC(C)CC(c2ccncc2N)=C1	13
+CC(C)(C)[Si](C)(C)OC1CC(C1)=O	86
+CC(C)(C)[Si](C)(C)OC1CCC(N2c3nc(ncc3CN(c4ccc(cc4)CC)C2=O)Cl)C1	7631
+CC(C)(C)[Si](C)(C)OC1CCCC(N2C(=O)C=CC(c3c4ccccn4nc3-c5ccccc5)=N2)C1	4226
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)OCC=C)C(CCCOS(=O)(=O)C)C1	7
+c1cc(ccc1)COC(N2CC(CC2C(=O)OC(c3ccccc3)C(=O)c4ccccc4)O)=O	35
+CC(C)(C)[Si](C)(C)OC1CC(Nc2nc(nc(n2)Cl)NC3C(OC)Cc4ccccc34)CC1COCc5ccccc5	387
+c1cc(ccc1CC)N2C(N(C3CC(O)CC3)c4nc(Nc5ccc(cc5)F)ncc4C2)=O	35
+c1cc(ccc1)C(=O)N2C(C(=CN(C3CC(O)CCC3)C2=O)C)=O	35
+CC(C)(C)[Si](C)(C)OC1CCC2(C3C(C4(C(C)(C(CC4)c5cocc5)CC3)OC)CCC2C1)C	76
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)Nc2ccccc2I	231
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)COS(=O)(=O)c2ccc(cc2)C	36
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)n2c3c(cccc3)cc2C4CC4	4227
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)Nc2nc3N(Cc4ccccc4)C(=O)N(Cc3cn2)c5ccccc5Cl	7632
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)c2c(ccc(C(=O)O)n2)F	1
+C1CC(CCC1n2c(cc3c2cccc3)C4CC4)O	35
+CC(C)(C)[Si](C)(C)OC1CC(CC1)Nc2c(CNc3ccc(cc3)CC)cnc(n2)Cl	40
+CC(C)(C)[Si](C)(C)OC1CC(N2C(=O)N(c3ccc(cc3)CC)Cc4c2nc(Nc5ccc(cc5)F)nc4)CC1	55
+CC(C)(C)[Si](C)(C)OC1CCC(N)C1	18
+CC(C)(C)[Si](C)(C)OC1CCC2(C)C(C1(C)C)CCC=3C4=CCC(C(CCC(=O)O)C)C4(CCC2=3)C	4
+CC(C)(C)[Si](C)(C)OC1CCC2(C)C(C1(C)C)CCC=3C=4C(CCC2=3)(C)C(C(C)CCCNc5ccccc5)CC=4	4228
+c1cc(ccc1)NCCCC(C)C2C3(C(C4=C(CC3)C5(CCC(C(C)(C)C5CC4)O)C)=CC2)C	35
+C1C2C(CCC(O)C2)(C3C(C1)C4(C(C)(C(c5ccoc5)CC4)CC3)OC)C	35
+c1ccccc1-c2nn3c(c2C4=NN(C(=O)C=C4)C5CC(O)CCC5)cccc3	35
+CC(C)(C)[Si](C)(C)OC1CC(N2C=C(C(N(C2=O)C(=O)c3ccccc3)=O)C)CCC1	4229
+CC(C)(C)[Si](C)(C)OC1CCCC2(C1CCCC2=CC)C	3691
+CC(C)(C)OC(N1CCNC2C(O)CCCC12)=O	35
+CC(C)(C)[Si](C)(C)OC1CN(CCC1)c2c(cc(cc2)C(F)(F)F)NC(c3cc(ccc3F)I)=O	50
+CC(C)(C)[Si](C)(C)OC1CCN(C(Nc2c(C)c(Cl)c(C#N)cc2)=O)C1COC	21
+CC(C)(C)[Si](C)(C)OC1CCN(C1CO)C(=O)Nc2c(C)c(Cl)c(C#N)cc2	88
+CC(C)(C)[Si](C)(C)OC1CCN(C1)c2ncc(N3C=CC(OS(=O)(=O)c4ccc(cc4)Br)=CC3=O)cc2	7633
+CC(C)(C)[Si](C)(C)OC1CCN(C1)c2ncc(N3C=CC(O)=CC3=O)cc2	923
+c1cc(ccc1CN2CCC(O)C2=O)Cl	4230
+Cc1cc(cc(C)c1NC(c2cc(N3CCC(CC3)O)nc4ccccc24)=O)C(OC)=O	35
+CC(C)(C)[Si](C)(C)OC1CCN(CC1)c2cc(c3c(cccc3)n2)C(=O)Nc4c(C)cc(cc4C)C(OC)=O	286
+C1CCN(C1)CC#CCN2CC(O)CC2=O	35
+CC(C)(C)[Si](C)(C)OC1CN(C(OCC=C)=O)C(CCCn2cncc2)C1	1193
+CC(C)(C)[Si](C)(C)OC1CC(N(C(=O)OCc2ccc(cc2)OC)C1)CO	21
+CC(C)(C)OC(=O)N1CC(CNc2c3nccnc3cc(Cl)n2)CC(C1)O	35
+C1C(CC(CCCn2ccnc2)N1C(OCC=C)=O)O	35
+CC(C)(C)[Si](C)(C)OC1CC(N(C(OCc2ccccc2)=O)C1)C(=O)OC(c3ccccc3)C(c4ccccc4)=O	4231
+c1cc(ccc1C(NC(C)=O)C)N2CC(C2)O	35
+CC(C)(C)OC(=O)N1CC(C(O[Si](C)(C)C(C)(C)C)C1)CC	732
+CC(C)(C)[Si](C)(C)OC1CNCCC1N2CCOCC2	62
+c1(cc(cc(Cl)c1)N2C(=O)C3(Cc4ccc(cc4)C#N)N(CC(O)C3)C2=O)Cl	35
+CC(C)(C)[Si](C)(C)OC1CC2CNc3ccccc3C(=O)N2C1	15
+c12cc(cc(OCC3CC(CN3)O)c1c(ncn2)Nc4cc(Cl)c(F)cc4)OC	35
+CC(C)(C)[Si](C)(C)OC1CN(C1)c2ccc(cc2)C(NC(C)=O)C	79
+CC(C)(C)[Si](C)(C)OC1C(C(c2cnccc2)OC1)CCC(=O)OC	783
+CC(C)(C)[Si](C)(C)OC1C2OCC(N)C2OC1	273
+CC(C)(C)[Si](C)(C)OC1c2c(cnc3c2ccc(O)c3)CCC1	16
+CC(C)(C)[Si](C)(C)OCC#Cc1ncc(N)nc1	3665
+CC(C)(C)[Si](C)(C)OCC(N1CC(F)CC1C#N)=O	143
+CC(C)(C)[Si](C)(C)OCC(C(C)C)N1c2cc(c(NCc3ccc(cc3)F)cc2C(C(C(OCC)=O)=C1)=O)OC	250
+c1(ccc(c(c1)Cl)Cl)C(C)C(Nc2cccc3C(=O)N(C=Cc23)C(C(=O)NC)CO)=O	35
+CC(C)(C)[Si](C)(C)OCC(C)(C)CCC=O	4095
+CC(C)(C)[Si](C)(C)OCC(C)(C)CN1C=C(CO)c2cc(ccc2C1=O)-c3cc(C(NC4CC4)=O)cc(F)c3C	7634
+c1cc(ccc1CC(Nc2nccc(c2)C(c3cn(c4c3cncn4)C(C)(C)CO)=O)=O)C#N	35
+c1cc(ccc1)C(c2ccccc2)=Nc3nccc(C(=O)c4c5cncnc5n(C(C)(C)CO[Si](C)(C)C(C)(C)C)c4)c3	4233
+CC(C)(C)[Si](C)(C)OCC(C)(C)n1c2c(c(C(c3ccnc(NC(Cc4ccc(cc4)C#N)=O)c3)=O)c1)cncn2	142
+CC(C)(C)[Si](C)(C)OCC(CCCO)C	118
+CC(C)(C)[Si](C)(C)OCC(NCC(O)COc1ccc(cc1)OC)C	122
+CC(C)(C)[Si](C)(C)OCC(C)N	102
+CC(C)(C)[Si](C)(C)OCC(OCC(O)C(OC)=O)C	7635
+CC(C)(C)[Si](C)(C)OCC(OCC(C(=O)Nc1ccc(cn1)Cl)Oc2ncnc3n(-c4ncccc4Cl)ncc23)C	7636
+Cc1nc(Cl)c2c(n(C(C)CO)c(CCl)n2)c1C	35
+CC(C)(C)OC(=O)N(C(CO)C=C)CC(N(C)OC)=O	35
+CC(C)(C)[Si](C)(C)OCC(CCCC(C)C1CCC2C1(C)CCC3C4(C(=CC(CC4)=O)CCC23)C)C	7637
+CC(C)(C)[Si](C)(C)OCC(CCCOS(=O)(=O)C)C	7
+CC(C)(C)[Si](C)(C)OCC(C)CCCI	572
+CC(C)(C)[Si](C)(C)OCC(CCO)NCCc1ccc(cc1)C(OC(C)C)=O	110
+c1cc(ccc1OC)COCCC(=C)CO	2755
+CC(C)(C)[Si](C)(C)OCC(CCP(OCC)(OCC)=O)ONc1c(c(ncn1)Cl)NC=O	3381
+CC(C)(C)[Si](C)(C)OCC(CCP(OCC)(OCC)=O)On1c2ncnc(Cl)c2nc1	1876
+CC(C)(C)[Si](C)(C)OCC(On1c2ncnc(c2nc1)N)CCP(OCC)(OCC)=O	1095
+C(C(C)CN1c2cc(C)ccc2OCC1=O)O	35
+CC(C)(C)OC(=O)NCC(CO)n1c2c3c(cccc3)ncc2nc1CCl	35
+CC(C)(C)OC(=O)NCC1COCc2nc3c(c4ccccc4nc3)n12	2860
+CC(C)(C)[Si](C)(C)OCC(C=O)OC	24
+CC(C)(C)[Si](C)(C)OCC(c1ccccc1)CN(S(=O)(=O)c2ccccc2)C	2715
+C(CCCCCCC(=O)OCC(CO)OC)C=CCCCCCCCC	35
+CC(C)(C)[Si](C)(C)OCC(On1cnc2c(N)ncnc12)COCP(OCC)(OCC)=O	1095
+c1cc(ccc1)COCC2n3c(COC2)nc4cnc5ccccc5c34	2860
+c1ccccc1COCC(CO)n2c3c(cnc4c3cccc4)nc2CCl	35
+CC(C)(C)[Si](C)(C)OCC1Cc2ccc3c(c2O1)CCC3	419
+CC(C)(C)[Si](C)(C)OCC(NC)CC=C	2
+CC(C)(C)[Si](C)(C)OCC(N1C=Cc2c(cccc2N)C1=O)C(=O)OC	0
+CC(C)(C)[Si](C)(C)OCC(N1C=Cc2c(cccc2NC(C(c3ccc(Cl)c(c3)Cl)C)=O)C1=O)C(=O)OC	33
+CC(C)(C)[Si](C)(C)OCC(C(=O)OC)N1C(c2cccc(c2C=C1)NC(C(C)c3ccc(cc3)Cl)=O)=O	33
+CC(C)(C)[Si](C)(C)OCC(C(NC)=O)N1C=Cc2c(cccc2NC(C(c3ccc(Cl)c(c3)Cl)C)=O)C1=O	248
+N#CC1CC(CN1C(CO)=O)F	4230
+CC(C)(C)[Si](C)(C)OCC(N1c2nc(c(cc2C(C(=C1)C(OCC)=O)=O)CNc3c(cc(cc3F)F)F)OC)C(C)C	7638
+CC(C)(C)[Si](C)(C)OCC(N1c2nc(c(C)cc2C(C(=C1)C(OCC)=O)=O)OC)C(C)C	4188
+CC(C)(C)[Si](C)(C)OCC(Nc1c(C)c(C)nc(c1N)Cl)C	13
+CC(C)(C)[Si](C)(C)OCC(Nc1c(ccc(n1)OC)N)COCc2ccccc2	13
+CC(C)(C)[Si](C)(C)OCC(OC)COCc1ccccc1	76
+CC(C)(C)[Si](C)(C)OCC(Cc1ccc2c(c1O)CCC2)O	16
+CC(C)(C)[Si](C)(C)OCC(c1cc(NC(=O)OCc2ccccc2)ccc1)OS(=O)(=O)C	7
+CC(C)(C)[Si](C)(C)OCC(c1ccc(Cl)c(F)c1)OS(=O)(=O)C	7
+CC(C)(C)[Si](C)(C)OCC(CO)OC	118
+Clc1cnc(cc1)NC(C(Oc2c3cnn(-c4ncccc4Cl)c3ncn2)COC(CO)C)=O	35
+CC(C)(C)[Si](C)(C)OCC(C)OCC(C(OC)=O)Oc1c2c(n(-c3ncccc3Cl)nc2)ncn1	7639
+CC(C)(C)[Si](C)(C)OCC(CCP(OCC)(OCC)=O)ON	670
+CC(C)(C)[Si](C)(C)OCC(COCP(OCC)(OCC)=O)On1cnc2c1ncnc2Cl	1876
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(cc(Oc2ncc(C(N3CCC3)=O)cc2Cl)c1)C(Nc4cnc(cn4)C)=O)C	1351
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(Oc2ccc(cc2F)C(=O)N3CCC3)cc(c1)C(=O)Nc4sccn4)C	900
+C1N(CC1)C(c2cnc(Oc3cc(cc(c3)OC(C)CO)C(Nc4cnc(cn4)C)=O)c(Cl)c2)=O	35
+C(C)OP(OCC)(COCC(CO)On1cnc2c(N)ncnc12)=O	35
+O=S(=O)(N(C)CC(CO)c1ccccc1)c2ccccc2	35
+CC(C)(C)[Si](C)(C)OCC1(SCCn2c(C3(CC3)c4ccc(cc4)-c5ccc(C#N)cn5)nnc2C1)C	4234
+CC(C)(C)[Si](C)(C)OCC1(SCCn2c(C3(CC3)c4ccc(cc4)Br)nnc2C1)C	4234
+CC(C)(C)[Si](C)(C)OCC1(CC1)CNCC(OC)=O	1315
+CC(C)(C)[Si](C)(C)OCC1(CC1)C=O	24
+C1CC1(c2nnc3CC(CO)(SCCn23)C)c4ccc(cc4)-c5ccc(C#N)cn5	35
+c1cc(ccc1C2(CC2)c3nnc4CC(CO)(SCCn34)C)-c5occn5	35
+CC(C)(C)[Si](C)(C)OCC1(SCCn2c(C3(CC3)c4ccc(cc4)-c5occn5)nnc2C1)C	4235
+C1C2(CO)CC2C(N1Cc3ccc(cc3OC)OC)=O	35
+CC(C)(C)[Si](C)(C)OCc1cc(C#N)nc(C)c1	7640
+CC(C)(C)[Si](C)(C)OCc1cc(C#N)ncc1	1303
+CC(C)(C)[Si](C)(C)OCC=1C(=O)N(C(N(C=1)C(NCCCCCC)=O)=O)C	2726
+CC(C)(C)[Si](C)(C)OCC1C(C)=CC2CN1C(N2OCC=C)=O	4236
+CC(C)(C)[Si](C)(C)OCC1C(=CC(NOCC=C)CN1)C	2862
+C(=C)CON1C(N2CC1C=C(C2CO)C)=O	35
+CC(C)(C)[Si](C)(C)OCC1C(C)(CCC(C1)OC(=O)C)C2CCC3(C(CCC3=C)C2CC#N)C	300
+CC(C)(C)[Si](C)(C)OC1C(CO[Si](C)(C)C(C)(C)C)CC(C1)Oc2ncnc(Cl)c2	145
+CCOC(=O)C=C1CC(C(CO)C1)CC	35
+CC(C)(C)[Si](C)(C)OCC1CC1(CC#N)c2ncccc2	300
+CC(C)(C)[Si](C)(C)OCC1C(Cc2ccccc12)OS(=O)(=O)C	7
+O(C(=O)N1CC=C(CC1CO)C=2NC(=S)SC=2)CC=C	35
+c1cc(ccc1N2CC(Cn3ccnn3)OC2=O)-c4ccc(cc4)C=5CC(CO)ON=5	35
+C(C1CC(CC1OC(=O)C)n2ccc3c2ncnc3NC4CCc5ccccc45)O	35
+CC(C)(C)[Si](C)(C)OCC1C(C2CCC3(C)C(CCC3C2COS(=O)(=O)C)=C)(C)CCC(C1)OC(=O)C	7
+CC(C)(C)[Si](C)(C)OCC1CC1(c2ccccn2)CCN	51
+CC(C)(C)[Si](C)(C)OCC1C(COS(=O)(=O)C)(C1)c2ncccc2	7
+C(O)C1CC1(CCN)c2ncccc2	35
+CC(C)(C)[Si](C)(C)OCC1CC1(CO)c2ncccc2	237
+CC(C)(C)[Si](C)(C)OCC1CCC(CC1)(C=C)OC	4237
+CC(C)(C)[Si](C)(C)OCC1CCC(CC1)CNCC	15
+O=Cc1c(cc(N2C(CO)CCCC2)s1)Br	35
+c1(ccc(N2CC(CO)CCC2)cc1C(Nc3c(C)c(C(OC)=O)ccc3C)=O)C	35
+CC(C)(C)[Si](C)(C)OCC1CCCN(c2ccc(c(C(Nc3c(C)c(ccc3C)C(OC)=O)=O)c2)C)C1	79
+C1CCC(C1)n2c3c(cnc(Nc4ncc(N5CCC(CC5)CO)cc4)n3)c6ccnc(c26)F	35
+CC(C)(C)[Si](C)(C)OCC1CCN(CC1)c2cnc(Cl)cc2	244
+CC(C)(C)[Si](C)(C)OCC1CNCCN1C2COC2	2
+CC(C)(C)OC(Nc1cc(cc(N2CCN(C(C2)CO)C3COC3)c1Cl)C#N)=O	35
+c1cc(ccc1)CN2CC3COCCN3CC2CO	35
+C1Cc2c(c3c(CC(CO)O3)cc2)C1	35
+CC(C)(C)[Si](C)(C)OCC1CN2CCOCC2CN1Cc3ccccc3	48
+C1(C(OC(N2C=C(I)C(N)=NC2=O)C1)CO)OCC=C	7641
+C1C(CO)OC(C1OC(C)=O)n2cnc3c2ncnc3N	35
+c1(c2[nH]c(C(=O)NC3C(c4c(cccc4)C3)CO)cc2sc1Cl)Cl	35
+CC(C)(C)OC(=O)NC1(CCC(CC1)Oc2ncnc3sc4c(C(CO)CC4)c23)C	35
+CC(C)(C)[Si](C)(C)OCC1c2c(cccc2)CC1NC(=O)c3cc4sc(c(Cl)c4[nH]3)Cl	81
+O=C(N1C=C(CO)C(=O)N(C1=O)C)NCCCCCC	2755
+CC(C)(C)[Si](C)(C)OCCOc1c(OC)cc([N+]([O-])=O)cc1	8
+CC(C)(C)[Si](C)(C)OCCn1c2ccccc2nc1CN(C)C(=O)CN3C(Sc4c3cc(Cl)cc4)=O	656
+CC(C)(C)[Si](C)(C)OCCOc1c(nc(C=O)cc1)Br	458
+CC(C)(C)[Si](C)(C)OCCOc1ccc(c(OC)c1)[N+]([O-])=O	8
+CC(C)(C)[Si](C)(C)OCCn1ncc2cc(c(cc12)[N+]([O-])=O)C	1090
+CC(C)(C)[Si](C)(C)OCCOc1c(c(-c2c(F)ccc(n2)C(=O)OC)c(cc1)F)F	8
+CC(C)(C)[Si](C)(C)OCCOc1ccc2c(nc(-c3ccc(cc3)[N+](=O)[O-])cn2)c1	8
+CC(C)(C)[Si](C)(C)OCCOc1ccc(cc1)-c2oc(nc2-c3ccc(cc3)OC)OC	8
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)Br	601
+CC(C)(C)[Si](C)(C)OCCC(c1nnc2cc(-c3ccnc(SC)n3)cc(n12)F)Cn4ncc(c4)Cl	757
+CC(C)(C)[Si](C)(C)OCCC(C(NNc1nc(cc(c1)-c2nc(SC)ncc2)F)=O)Cn3cc(Cl)cn3	355
+CC(C)(C)[Si](C)(C)OCCC(CC=CC)C	1516
+Clc1cccc(c1)-c2nnn(n2)C(CCO)C	35
+CC(C)(C)[Si](C)(C)OCCC(CCO)C	95
+c1ccccc1COC(CCO)CCCCCCCCCCC	35
+CC(C)(C)[Si](C)(C)OCCC(C)CC=O	24
+CC(C)(C)OC(NC(C(=O)OC1CCCC1)CCO)=O	35
+CC(C)(C)[Si](C)(C)OCCC(c1ccccc1)(O)CCN	18
+CC(C)(C)[Si](C)(C)OCCC(OC(=S)Oc1ccccc1)C=2C=CN(C(=O)C=2)C3=CC(C)(C)Oc4c3cc(C#N)cc4	7642
+CC(C)(C)[Si](C)(C)OCCC(=O)C1CCCN1C(C2N(C(NCc3ccccc3)=O)CCC2)=O	86
+CC(C)(C)[Si](C)(C)OCCC(CCCCCCCCCCC)OCc1ccccc1	1476
+CC(C)(C)[Si](C)(C)OCCC(O)(c1ccccc1)CCN=[N+]=[N-]	558
+c1cc(ccc1C#N)C(n2cncc2)CCO	35
+CC(C)(C)[Si](C)(C)OCCc1ccnc(C#N)c1	1303
+CC(C)(C)[Si](C)(C)OCCC1C(C1)C2CCN(CC2)c3ncc(cc3)CO	269
+CC(C)(C)[Si](C)(C)OCCC1C(C1)C2CCN(CC2)c3ccc(COC)cn3	76
+CC1(C)OCC(CCO)N(Cc2ccccc2)C1	35
+CC(C)(C)[Si](C)(C)OCCC1COC(C)(C)CN1Cc2ccccc2	15
+CC(C)(C)[Si](C)(C)OCCC1N(Cc2ccccc2)C(C(C)(C)OC1)=O	7643
+c12c(cc(cc1)C(=O)N)CCOC2CCO	35
+c12c(CCOC1CCO)cc(-c3cnccc3)cc2	35
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)C(=O)OCC	1232
+CC(C)(C)[Si](C)(C)OCCCN1CC(F)(F)CCC1	28
+CC(C)(C)[Si](C)(C)OCCCOc1cc(c(C=O)cc1)OC	8
+CC(C)(C)[Si](C)(C)OCCCN(CCN1CCS(CC1)(=O)=O)S(=O)(=O)c2c(cccc2)[N+](=O)[O-]	831
+CC(C)(C)[Si](C)(C)OCCCOc1ccc(cc1Br)-c2ccc(cc2)C(=O)OCC	8
+CC(C)(C)[Si](C)(C)OCCCN1C(=O)c2n(c(Br)nc2N(C1=O)C)Cc3ccc(cc3)Cl	1474
+CC(C)(C)[Si](C)(C)OCCCC#C[Si](C)(C)C	7644
+CC(C)(C)[Si](C)(C)OCCCc1c2c([nH]c1[Si](C)(C)C)ccc(C(=O)OCC)c2	4238
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)CO	44
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)C=CCO	2624
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)C=O	24
+O=S(=O)(N1C(CN(C(OCc2ccccc2)=O)CC1)CCCO)c3ccccc3	35
+CC(C)(C)[Si](C)(C)OCCCC1CN(C(OCc2ccccc2)=O)CCN1S(=O)(=O)c3ccccc3	66
+CC(C)(C)[Si](C)(C)OCCCC1N(CCNC1)S(=O)(=O)c2ccccc2	25
+CC(C)(C)[Si](C)(C)OCCCC1N(S(=O)(=O)c2ccccc2)CCN(C1)Cc3ccccc3	92
+CC(C)(C)[Si](C)(C)OCCCCN1c2c(N=CC1=O)ccc(c2)OC	7645
+C(CCCCO)C(C)OC	35
+CC(C)(C)[Si](C)(C)OCCCCCCC#N	830
+CC(C)(C)[Si](C)(C)OCCCCCCCN	51
+CC(C)(C)N(C(=O)C(=O)OCC)CCCCCCO	35
+c1ccccc1C(N(C2CCCCC2)CCCCCCO)=O	35
+CC(C)(C)[Si](C)(C)OCCCCCCN(C1CCCCC1)C(c2ccccc2)=O	115
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCO	35
+COc1cc2N(C(=O)C=Nc2cc1)CCCCO	35
+CC(C)(C)[Si](C)(C)OCCCCn1cnc2cnc3ccccc3c12	919
+CC(C)(C)[Si](C)(C)OCCCCNc1c(N)cnc2c1cccc2	13
+n1c2c(n(CCCCO)c1)c3c(cccc3)nc2	35
+c1cc(ccc1)COC(=O)N(CC)CCCO	35
+CC(C)(C)[Si](C)(C)OCCCNCCN1CCS(CC1)(=O)=O	1385
+FC1(F)CN(CCCO)CCC1	35
+CC(C)(C)[Si](C)(C)OCCCNc1ccc(NS(=O)(=O)c2ccc(cc2)NC(C)=O)cc1N	0
+CC(C)(C)[Si](C)(C)OCCCONC(=O)c1c(cc(cc1)F)Nc2c(C)cc(I)cc2	514
+CC(C)(C)[Si](C)(C)OCCCON	670
+c1c(cc(C)c(Nc2c(C(NOCCCO)=O)ccc(c2)F)c1)I	35
+CC(C)(C)[Si](C)(C)OCCCOc1ccc(CO)c(OC)c1	41
+CC(C)(C)OC(n1nc(CCCO)c2c1c(ccc2Nc3c(-c4ncccn4)oc5cnccc35)Cl)=O	35
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCCO	35
+CC(C)(C)[Si](C)(C)OCCCc1ccc(cc1)-c2nc(c(nc2)N)C(=O)Nc3cccnc3	7646
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1F)C2CCC(CC2)CC(=O)OC	1627
+CC(C)(C)[Si](C)(C)OCCN(c1ccccc1)C(=O)Cc2cccc(c2)C(NO)=O	1133
+c1ccccc1COc2c(C(=O)N(CCO)C)nc(nc2O)CC3(CCCC3)c4ncccc4	35
+C1COC(O1)CCN(CCO)C(C)=O	35
+Clc1cccc(Cl)c1Cc2nc(O)c(OCc3ccccc3)c(C(=O)N(CCO)C(C)C)n2	35
+CC(C)(C)[Si](C)(C)OCCN(C(c1csc(n1)N2CC(C2)SC(=O)C)=O)C	2128
+CC(C)(C)[Si](C)(C)OCCN(C(c1csc(N2CC(C2)OS(=O)(=O)C)n1)=O)C	7
+c1cc(ccc1C(OCC)=O)N(C)CCO	35
+CC(C)(C)[Si](C)(C)OCCNCCC1OCCO1	25
+Clc1nc(nc(Cl)c1C(=O)N(c2ccc(cc2)Br)CCO)C	35
+c1ccccc1N(CCO)C(Cc2cccc(c2)C(NO)=O)=O	35
+CC(C)(C)[Si](C)(C)OCCN(c1ccccc1)C(Cc2ccc(cc2)C(=O)NO)=O	1133
+CC(C)(C)[Si](C)(C)OCCN1c2cc3c([nH]c(n3)-c4cc([nH]n4)C)cc2C(C)(C)C1=O	567
+CC(C)(C)[Si](C)(C)OCCN1c2nn(Cc3ccc(cc3)OC)cc2-c4c(sc(Nc5ncc(cn5)F)n4)CC1	7647
+CC1(C)C(=O)N(CCO)c2cc3c([nH]c(n3)-c4cc([nH]n4)C)cc12	35
+c1cc(ccc1OC)Cn2nc3c(c2)-c4c(sc(Nc5ncc(cn5)F)n4)CCN3CCO	35
+CC(C)(C)[Si](C)(C)OCCN(C(=O)c1nc(nc(c1OCc2ccccc2)O)CC3(CCCC3)c4ncccc4)C	147
+CC(C)(C)[Si](C)(C)OCCN(C(C)C)C(=O)c1nc(nc(c1OCc2ccccc2)O)Cc3c(Cl)cccc3Cl	147
+C1CCC(C1)CCC(Nc2c(ccc3nc(N4CCC(NCCO)C4)ccc23)Cl)=O	35
+CC(C)(C)[Si](C)(C)OCCN(C(C)=O)CCC1OCCO1	58
+CC(C)(C)[Si](C)(C)OCCN(C(=O)Cc1ccc(cc1)C(OC)=O)c2c3c(ccc2)cccn3	7648
+CC(C)(C)[Si](C)(C)OCCNc1c2ccc(cc2ncc1N)OCc3ccccc3	13
+CC(C)(C)[Si](C)(C)OCCN(c1ccc(cc1)Br)C(=O)c2c(Cl)nc(nc2Cl)C	4240
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)N2CCc3c(n(nc3C(=O)OCC)-c4ccc(cc4)OC)C2=O	7649
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2c(nccn2)C(Nc3ccc(C#N)cn3)=O)=O	466
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2nccnc2C(Nc3ccc(cn3)C)=O)=O	466
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(=O)c2c(NC(c3ccc(Cl)s3)=O)nccc2	246
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(=O)c2nccnc2NC(c3ccc(cc3)Cl)=O	466
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)NC(c2c(NC(c3sc(cc3)Cl)=O)cncc2)=O	67
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)N2CCc3c(n(-c4ccc(cc4)OC)nc3C(N)=O)C2=O	1201
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)N2C(=O)c3n(-c4ccc(cc4)OC)nc(C(N)=O)c3CC2	247
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)N2C(c3c(CC2)c(C(=O)O)nn3-c4ccc(cc4)OC)=O	6
+CC(C)(C)[Si](C)(C)OCCN(c1ccc(cc1)NC(=O)c2c(NC(c3ccc(Cl)s3)=O)nccc2)C#N	1201
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)NC(c2nccnc2NC(c3ccc(cc3)Cl)=O)=O	1201
+CC(C)(C)[Si](C)(C)OCCN(c1ccc(cc1)NC(c2c(NC(c3sc(cc3)Cl)=O)cncc2)=O)C#N	1201
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)NC(c2nccnc2C(=O)Nc3ccc(C#N)cn3)=O	1201
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)NC(c2c(C(=O)Nc3ccc(cn3)C)nccn2)=O	1201
+CC(C)(C)[Si](C)(C)OCCNc1ccc(cc1)N	0
+CC(C)(C)[Si](C)(C)OCCN(C(=O)c1c(ncnc1Cl)Cl)c2c(F)cc(cc2)C3CCC(CC3)CC(=O)OC	4240
+CC(C)(C)[Si](C)(C)OCCN(c1ccccc1)C(Cc2ccc(cc2)C(OC)=O)=O	429
+CC(C)(C)[Si](C)(C)OCCOCCC(C)(C)CC=O	24
+CC(C)(C)[Si](C)(C)OCCOCCCCCCN1CC(OC1=O)c2cc3c(cc2)OC(C)(C)OC3	3986
+CC1(C)OCc2c(ccc(c2)C3OC(=O)N(CCCCCCOCCO)C3)O1	35
+CC(C)(C)[Si](C)(C)OCCOCC=O	24
+c1c(OCCO)c(cc([N+]([O-])=O)c1)OC	35
+CC(C)(C)[Si](C)(C)OCCOc1ccc(C=O)nc1-c2ccc(cc2)C(=O)N(C)C	119
+CC(C)(C)[Si](C)(C)OCCOc1ccc(N)c(C)c1	0
+CC(C)(C)[Si](C)(C)OCCOc1cc(C=O)cc(C)c1	7650
+CN(C)C(c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCO)=O	35
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCO	35
+CC(C)(C)[Si](C)(C)OCCOc1ccc(-c2nc(c3c(cc(OC)cc3OC)n2)O)nc1-c4ccc(cc4)C(N(C)C)=O	2863
+CC(C)(C)[Si](C)(C)OCCOc1ccc(N)c(OC)c1	0
+c1(cc(ccc1[N+]([O-])=O)OCCO)OC	35
+c1cc(ccc1OC)-c2nc(oc2-c3ccc(cc3)OCCO)OC	35
+CC(C)(C)[Si](C)(C)OCCOc1ccc2c(nc(-c3ccc(cc3)N)cn2)c1	0
+CC(C)(C)[Si](C)(C)OCCSc1c(-c2ccccc2)c(C(C)N3C(=O)c4ccccc4C3=O)nc5ccc(cc15)F	7651
+CC(C)(C)[Si](C)(C)OCCSc1c(c(C(Br)C)nc2ccc(cc12)F)-c3ccccc3	7652
+CC(C)(C)[Si](C)(C)OCCSc1ccc(c(C)n1)N	13
+C1CC2(CCN1Cc3cccc(CCO)c3F)CN(C(=O)c4csc(n4)C(C)C)CCO2	35
+CC(C)(C)[Si](C)(C)OCCc1cc(cc(F)c1N(Cc2ccccc2)C)N	0
+CC(C)(C)[Si](C)(C)OCCc1cc(cc(F)c1N(Cc2ccccc2)C)NC(=O)OCc3ccccc3	90
+CC(C)(C)[Si](C)(C)OCCc1csc(CCOC(=O)C)c1	204
+c1cc(ccc1OCc2ccccc2)-n3c4ccccc4cc3CCO	35
+CC(C)(C)[Si](C)(C)OCCC1=CC(=C=[N-])[N+](=O)C=C1	1269
+CC(C)(C)[Si](C)(C)OCCc1ccc(c(OCc2ccccc2)c1)C=O	139
+CC(C)(C)[Si](C)(C)OCCc1ccc(CC=O)s1	24
+CC(C)(C)[Si](C)(C)OCCc1ccc(c(CO)c1)F	41
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCO	35
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)C(OC(C)C)=O	7653
+c1cc(ccc1C(OC(C)C)=O)CCO	35
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)CC(C)(C)C(=O)OC	1389
+CC(C)(C(=O)OC)Cc1ccc(cc1)CCO	35
+CC(C)(C)[Si](C)(C)OCCc1ccc(c(c1)C=O)F	151
+CC(C)(C)[Si](C)(C)OCCc1ccccc1C(=N)NO	181
+CC(C)(C)[Si](C)(C)OCCc1cccc(C=O)c1F	151
+C(O)Cc1ccnc(C#N)c1	35
+CC(C)(C)[Si](C)(C)OCCc1cc[n+](cc1)[O-]	341
+CC(C)(C)[Si](C)(C)OCCc1ccsc1C(O)c2ccc(cc2)F	7654
+CC(C)(C)[Si](C)(C)OCCc1cnn(-c2nccc(C#N)c2)c1	1706
+c1(nccc(C#N)c1)-n2ncc(CCO)c2	35
+O(C(C)=O)CCc1scc(CCO)c1	35
+o1nc(CCO)cc1-c2cnc(nc2NCCC)Nc3cccc(c3)F	35
+c1cc(ccc1C2CC(=O)NC=C2C(Nc3cc4c(cnn4CCO)cc3C)=O)F	35
+CC(C)(C)[Si](C)(C)OCCn1c2c(cn1)cc(C)c(NC(C3=CNC(CC3c4ccc(cc4)F)=O)=O)c2	4241
+c12c(cc(Cl)cc1)N(C(=O)S2)CC(N(Cc3nc4c(cccc4)n3CCO)C)=O	35
+C1Cc2nn(cc2-c3c1c4c(ncnc4s3)Nc5cc(c(cc5)OCc6ncccc6)Cl)CCO	35
+CC(C)(C)[Si](C)(C)OCCn1ccc2cc(c(cc12)NC(C3=CNC(CC3c4ccc(cc4)F)=O)=O)C	4241
+c12c(ccc(Cl)c1F)c(Sc3cc(ccc3)C(=O)OCC)c(C)n2-c4cn(nc4)CCO	35
+CC(C)(C)[Si](C)(C)OCCn1c2cc(c(C)cc2cn1)N	0
+CC(C)(C)[Si](C)(C)OCc1cc(ncc1C)Nc2ncc(C#N)s2	1178
+CC(C)(C)[Si](C)(C)OCc1c(cccc1C=CC(=O)OCC)OC	233
+C1OC(CCC1)OCc2nnc(OC)c(CO)c2	35
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCC(Nc4c(cc(CO)c(OC)c4)Cl)=O)=O)O	35
+c1ccccc1-c2ncc(CO)c(Nc3[nH]nc(c3)C4CC4)n2	35
+CC(C)(C)[Si](C)(C)OCc1c(nc(-c2ccccc2)nc1)Nc3cc(n[nH]3)C4CC4	345
+CC(C)(C)[Si](C)(C)OCc1c(nnc(CO)c1)OC	398
+CC(C)(C)[Si](C)(C)OCc1c(OC)nnc(c1)COC2CCCCO2	1646
+c1c(CO)c2c(cc1)C(CCN2CC)OCC=C	35
+CC(C)(C)[Si](C)(C)OCc1c2N(CC)CCC(O)c2ccc1	74
+CC(C)(C)[Si](C)(C)OCc1cccc2C(CCN(c12)CC)=C	1707
+CC(C)(C)[Si](C)(C)OCc1cccc(-c2cc(N)ccc2F)c1	0
+CC(C)OCc1cc(CO)cc(Br)c1	35
+c1(nc(cc(CO)c1)C#N)C	35
+CC(C)(C)[Si](C)(C)OCC1=CC(=C=[N-])[N+](C(=C1)C)=O	7655
+CC(C)(C)[Si](C)(C)OCc1ccc(C(O)c2cc(ccc2)C)c(c1)C	257
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1Cl)CCNC(C)=O	68
+CC(C)(C)[Si](C)(C)OCc1cc(CCl)cc(Cl)c1	229
+CC(C)(C)OC(N(C)c1cc(ccn1)CO)=O	35
+CC(C)(C)[Si](C)(C)OCc1cc(N(C(=O)OC(C)(C)C)C)ncc1	4134
+c1c(C)c(c(cc1C)C)NC(Nc2cc(ccc2)CO)=S	35
+c1c(OCC)c(c(cc1CO)OCC)F	35
+CC(C)(C)[Si](C)(C)OCc1cc(Cl)cc(CO)c1	98
+CC(C)(C)[Si](C)(C)OCc1cc(Br)cc(COC(C)C)c1	149
+C(O)c1c(Cl)ccc(CCNC(C)=O)c1	35
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1N)N2CCOCC2	0
+CC(C)(C)[Si](C)(C)OCc1c(ccc(c1)OC)N	0
+CC(C)(C)[Si](C)(C)OCc1sc(C=O)c(c1)C	968
+n1c(Nc2ncc(C)c(CO)c2)sc(c1)C#N	35
+c12c(c(cc(Cl)c1)F)n(c(CO)c2)CCC(OCC)=O	35
+c12cc(ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(OC)cc4C)CO	35
+c1(cc(ccc1)-n2nc(C(=O)OC)c3cc(ccc23)CO)Br	35
+CC(C)(C)[Si](C)(C)OCc1n(c2c(cc(cc2)C(=O)CC)c1)C	586
+CC(C)(C)[Si](C)(C)OCc1cc2c(cc1)n(nc2C(=O)OC)-c3cc(Br)ccc3	1708
+CC(C)(C)OC(=O)n1c(-c2c(Cl)nc3ccccc3c2)cc4cc(CO)ccc14	35
+CC(C)(C)[Si](C)(C)OCc1cc(c2ncccc2c1)C=O	7656
+n12c(c(C(=O)OC)cn1)cc(cc2)CO	35
+CC(C)(C)[Si](C)(C)OCc1cc2c(c3c(ncc(CCc4c(C)cc(OC)cc4)c3)c(n2)N)cc1	2829
+CC(C)(C)[Si](C)(C)OCC1=CC([N+](=O)C=C1)=C=[N-]	1269
+CC(C)(C)[Si](C)(C)OCc1ccc(c(C(Cl)C(C)(C)C)c1)-c2cc(ccc2F)OC	3899
+CC(C)(C)[Si](C)(C)OCc1cc([N+]([O-])=O)c(cc1)C(N)=O	7657
+CC(C)(C)[Si](C)(C)OCc1cc(c(cc1)C)N(C)c2nc(ncc2)Cl	1121
+FC(F)(F)c1nn2c(c1)c(CO)ccc2COC	35
+CC(C)(C)[Si](C)(C)OCc1cc(CC(C)(C)C)c(cc1)-c2cc(ccc2F)OC	4244
+CC(C)(C)[Si](C)(C)OCc1ccc(-c2c(ccc(c2)OC)F)c(C(O)C(C)(C)C)c1	74
+CC(C)(C)[Si](C)(C)OCc1ccc(C(O)=O)c([N+]([O-])=O)c1	1
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C(CC#N)=O	4245
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C(=O)Cl	82
+c1cc(ccc1CO)OP(OCC)(OCC)=O	35
+FC(F)(F)c1cc2c(ccc(n2n1)I)CO	35
+n1(c2ccc(CO)cc2nc1CN(CCC)C(c3c(F)ccc(F)c3)=O)CCC	35
+CC(C)(C)[Si](C)(C)OCc1cc2c(n(CCC)c(CNCCC)n2)cc1	3430
+C(C)OC(=O)c1cn(-c2cc(CO)ccc2)cn1	35
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)C2(CCOCC2)OC	76
+CC(C)(C)[Si](C)(C)OCc1nc(C=CC(=O)OCC)ccc1	7658
+CC(C)(C)[Si](C)(C)OCc1cccc(n1)CCCN2CCOCC2	15
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)CCC(=O)O	3
+CC(C)(C)[Si](C)(C)OCc1cc(NC(Nc2c(cc(cc2C)C)C)=S)ccc1	773
+O(CC=C)P(OCC=C)(=O)OCc1c(cccc1C)CO	35
+C=CCOP(OCC=C)(OCc1c(Cl)cccc1CO)=O	35
+C1COCCN1CCCc2nc(CO)ccc2	35
+CC(C)(C)[Si](C)(C)OCc1nc2ncc(-c3cccc(-c4c(cccc4)C#N)c3)n2cc1	7659
+CC(C)(C)[Si](C)(C)OCc1cc(C)[n+]([O-])cc1	103
+CC(C)(C)[Si](C)(C)OCc1cc[n+](cc1)[O-]	103
+CC(C)(C)[Si](C)(C)OCc1n(C)c2cc3c(C(O)CCCCC3)cc2c1	374
+CC(C)(C)[Si](C)(C)OCc1n(c2c(cc3C(CCCCc3c2)=O)c1)C	155
+CC(C)(C)[Si](C)(C)OCc1n(c2c(cc3c(CCCCCC3=O)c2)c1)C	155
+FC(F)(F)C(N=S(C)(CCCn1c(cc2cc(Cl)ccc12)CO[Si](C)(C)C(C)(C)C)=O)=O	3972
+CC(C)(C)[Si](C)(C)OCc1n(CCCS(C)=O)c2ccc(cc2c1)Cl	441
+CC(C)(OC)c1cccc(CO)n1	35
+CC(C)(C)[Si](C)(C)OCc1cccc(CCC(OCC)=O)n1	1253
+CC(C)(C)[Si](C)(C)OCc1cc(OC)c(C=O)c(n1)Cl	1031
+CC(C)(C)[Si](C)(C)OCc1nc(C(C)(C)OC)ccc1	76
+CC(C)(C)[Si](C)(C)OCc1sc(C(=N)NO)c(c1)C	7660
+CC(C)(C)[Si](C)(C)OCc1sc(C#N)c(c1)C	7661
+CC(C)(C)[Si](C)(C)Oc1c2c(ccc1Br)ccc(C=O)n2	501
+Cc1cc(cc(C)c1O)C2CC2	186
+C1CC1c2cc(OCC(OC)=O)c(cc2O)C	186
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1)C=O)C2CCCC2	39
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1CCC)C=C)CCC	2864
+O=Cc1c(c(ccc1F)O)F	186
+CC(C)(C)[Si](C)(C)Oc1c(c(C=O)ccc1)F	151
+CC(C)(C)[Si](C)(C)Oc1cc(C#N)ccc1N=C=Nc2c(cccc2)Br	4246
+CC(C)OB(OC(C)C)c1cc(C2CCCCC2)c(O[Si](C)(C)C(C)(C)C)cc1	585
+O(c1cc(cc(OC)c1)C(c2ccc(O)c(OC)c2)=CC#N)C	186
+CC(C)(C)[Si](C)(C)Oc1cc(F)c(F)c(C=O)c1OC	151
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1)Oc2c(cc(cc2Cl)N)Cl)C(C)C	0
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1CCC)CCO)CCC	1709
+CCCc1cc(cc(CCC)c1O)CCO	186
+CC(C)(C)[Si](C)(C)Oc1c(CCC)cc(cc1CCC)C=O	39
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1OC)C(C=Cc2cc(c(cc2OC)OC)-c3cc4ccccc4s3)=O)OC	307
+c1ccccc1COC(n2c3c(c(ccc3)O)cc2)=O	186
+CC(C)(C)[Si](C)(C)Oc1c(Br)ccc2ccc(nc12)C=NNc3ncccc3	1698
+CC(C)(C)[Si](C)(C)Oc1c2c(ccc1)n(C(OCc3ccccc3)=O)cc2	1825
+c1ccccc1COC(NCCCCc2c3ccccc3c(O)cc2)=O	186
+C(OC(Cn1c2c(cccc2O)cc1)=O)C	1710
+CC(C)(C)[Si](C)(C)Oc1cccc2c1nc(C=NNc3cc(ccn3)C)cc2	1698
+CC(C)(C)[Si](C)(C)Oc1ccc(c(NC(C)c2c(Cl)cc(cc2)Cl)c1)Cl	250
+CC(C)(C)[Si](C)(C)Oc1cccc(C2CC2)c1	365
+c1c(C(=C)c2ccc(OC)c(C)c2)cccc1O	186
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(c1)C)-c2c3CCC(c3c(cc2)F)Oc4ccc5c(c4)OCC5CC(OC)=O	99
+Cc1cc(cc(C)c1-c2c3CCC(c3c(cc2)F)Oc4ccc5c(c4)OCC5CC(OC)=O)O	186
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(C)c1)-c2cc(C(OC)=O)ccc2OC(C)C	11
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(C)c1)-c2nc3n(c(OCCO)ccc3)c2Nc4ccc5OCCOc5c4	1891
+Clc1cccc(C(NCc2cc(c(Cl)cc2)O)C)c1	186
+CC(C)(C)[Si](C)(C)Oc1cc2oc(-c3cn4nc(sc4n3)Br)cc2c(OCc5cc(ccc5)OCc6ccccc6)c1	2865
+c1(cc(Sc2ccnc(c2)Nc3nc(C)cs3)ccc1)O	186
+CC(C)(C)[Si](C)(C)Oc1cc(c(N2C(c3c(C2=O)cccc3)=O)cc1)N	0
+CC(C)(C)[Si](C)(C)Oc1ccc(c(c1)N)NC(=O)c2cccc(C#N)c2	0
+CC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])c(cc1)N2C(=O)c3ccccc3C2=O	668
+CC(C)(C)[Si](C)(C)Oc1cc([N+]([O-])=O)c(NC(=O)c2cccc(C#N)c2)cc1	50
+CC(C)(C)[Si](C)(C)Oc1cc(c(cc1)N2C(=O)c3ccccc3C2=O)NC(C4CCN(CC4)c5ccncc5)=O	33
+CC(C)(C)[Si](C)(C)Oc1cc(cc(F)c1)C=O	146
+CC(C)(C)[Si](C)(C)Oc1cccc(-c2c(N)cccc2)c1	0
+c1ccc(O)cc1OCC(OC)=O	186
+CC(C)(C)[Si](C)(C)Oc1cc(CNC(c2cc(Cl)ccc2)C)ccc1Cl	370
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1OC)CO	41
+CC(C)(C)[Si](C)(C)Oc1c(ccc(c1)C(O)C)OC	4247
+CC(C)(C)[Si](C)(C)Oc1c(OC)ccc(c1)CCl	109
+CC(C)(C)[Si](C)(C)Oc1cc2c(ccn2CC(=O)OCC)cc1	256
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)[nH]cc2Cl	573
+CC(C)(C)OC(n1nc(I)c2cc(O)ccc12)=O	186
+CC(C)(C)[Si](C)(C)Oc1ccc2[nH]nc(I)c2c1	538
+CC(C)(C)[Si](C)(C)Oc1ccc2[nH]nc(I)c2c1	2866
+c1c(O)cc(Br)c2[nH]ccc12	186
+C1N(CC1C(OC)=O)Cc2ccc3cc(ccc3c2)O	186
+C(OC(Cn1c2c(ccc(c2)O)cc1)=O)C	186
+c1(I)c2c(ccc(O)c2)n(n1)C	186
+c1c2c(n(CC(OCC)=O)cc2)ccc1O	186
+CC(C)(C)OC(n1c2c(c(N)n1)ccc(O)c2)=O	186
+CC(C)(C)OC(=O)Cn1c2c(ccc(O)c2)c(Cl)c1	186
+CC(C)(C)[Si](C)(C)Oc1cc2n(C(=O)OC(C)(C)C)nc(c2cc1)N	1131
+c1cc(ccc1)COc2cc(COc3c4cc(oc4cc(c3)O)-c5cn6c(sc(n6)OC)n5)ccc2	186
+CC(C)(C)[Si](C)(C)Oc1cc2oc(-c3cn4c(n3)sc(n4)OC)cc2c(OCc5cc(ccc5)OCc6ccccc6)c1	2867
+CC(C)(CC)c1cc(ccc1O)-c2cc(C=O)ccc2	186
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1C2CCCCC2)B(O)O	579
+c1c(COCOC)c(ccc1O)Br	186
+CC(C)(C)[Si](C)(C)Oc1c(C2CCCC2)cc(CO)cc1	98
+CC(C)(C)[Si](C)(C)Oc1c(cc(C(c2cc(OC)cc(OC)c2)=CC#N)cc1)OC	7662
+c1ccccc1COc2ccc(O)c(C)c2	186
+c1cc(ccc1C(=O)Nc2c(ccc(O)c2)NC(=O)c3cc(C#N)ccc3)C(C)C	186
+Clc1ccc(C(Nc2c(ccc(O)c2)Cl)C)c(c1)Cl	186
+CC(C)(C)[Si](C)(C)Oc1ccc(c(NC(=O)c2ccc(cc2)C(C)C)c1)NC(c3cc(C#N)ccc3)=O	50
+CC(C)(C)[Si](C)(C)Oc1c2ccccc2c(cc1)CCCCNC(=O)OCc3ccccc3	213
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c2n(C3CCCCC3)c4c(n2)cc(cc4)-c5[nH]nnn5	1711
+C[Si](C)(C)c1nn(-c2ccc(cc2)O[Si](C)(C)C(C)(C)C)c(C(=O)OCC)c1	1158
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C=2CCN(CC=2C(OC)=O)C(OC(C)(C)C)=O	7663
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2(C(c3ccc(cc3)OCOC)(CSc4c2ccc(OCOC)c4)C)O	2157
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C(Cc2ccccc2)=NO	189
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2C(c3ccc(cc3)OCOC)(CSc4cc(ccc24)OCOC)C	4250
+c1cc(ccc1O)C2C(CSc3cc(ccc23)OCOC)(C)c4ccc(cc4)OCOC	186
+CC(C)(C)OC(N1CC(=C(CC1)c2ccc(cc2)O)C(OC)=O)=O	186
+c1cc(ccc1O)CC(OC)C(O)=O	186
+CC(C)(C)OC(=O)N1CCN(CC1)CCc2ccc(cc2)O	186
+C1C(CN1c2ccc(cc2)O)OCCOC3CCCCO3	186
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)OCc2cc([N+]([O-])=O)cc(c2)[N+]([O-])=O	22
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)N	0
+CC(C)(C)[Si](C)(C)Oc1c(F)c(c(cc1)F)C=O	151
+CC(C)(C)[Si](C)(C)Oc1cc2c(n(C)nc2I)cc1	2158
+CC(C)(C)[Si](C)(C)Oc1cc2c(cc1)n(C3OCCCC3)nc2I	580
+CC(C)(C)[Si](C)(C)Oc1cc2c(n(CC(=O)OCC)cc2)cc1	256
+c1cc(ccc1-c2cnc3c(cc(O)cc3)n2)[N+](=O)[O-]	186
+CC(C)(C)OC(=O)Cn1c2cc(O)ccc2c(I)n1	186
+CC(C)(C)[Si](C)(C)Oc1cc2c(c([nH]n2)I)cc1	538
+C1CN(CCC1C(=O)OCC)Cc2ccc3c(n2)ccc(c3)O	186
+C1CC1c2cccc(O)c2	186
+C1CCCN1Cc2cccc(O)c2F	186
+CC(C)(C)[Si](C)(C)Oc1cccc(c1)Nc2c3cc(ccc3ncc2)Br	179
+CC(C)(C)[Si](C)(C)Oc1cccc(Sc2cc(ncc2)Cl)c1	7664
+CC(C)(C)[Si](C)(C)Oc1cc(Sc2cc(Nc3scc(n3)C)ncc2)ccc1	4176
+C1CN(CCO1)c2nc(c3c(n(C(C)CC)c(n3)Br)n2)-c4cccc(c4)O	186
+CC(C)(C)[Si](C)(C)Oc1cccc2ccc(nc12)-c3nnc4cc(C)ccn34	2149
+CC(C)(C)[Si](C)(C)Oc1c2n(CC(OCC)=O)ccc2ccc1	256
+n1nc(n2ccc(C)cc12)-c3nc4c(cc3)cccc4O	1710
+C1CN(CCO1)c2nc(-c3c4c([nH]cc4)ccc3F)nc5ccc(CN6CC(C6)C7CCOCC7)nc25	4251
+C1C(CN1Cc2ccc3c(c(N4CCOCC4)nc(n3)-c5c(ccc6[nH]ccc56)F)n2)N7CC(NCC7)=O	4251
+CC(C)(C)c1[nH]c2c(cc([N+]([O-])=O)cc2C(OC)=O)c1	342
+CC(C)(C)c1cc2cc(cc(CO)c2[nH]1)[N+]([O-])=O	295
+CC(C)(C)c1c(CCN2C(CCC2)c3ccc(cc3)C=CC(=O)OC)c4ccc([N+]([O-])=O)cc4[nH]1	61
+CC(C)(C)c1[nH]c2cc(ccc2c1CCN3C(CCC3)c4ccc(cc4)C=CC(=O)OC)NS(=O)(=O)C	80
+CC(C)(C)c1c(c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)[nH]1)C	7665
+CC(C)(C)c1n[nH]c(C(N)=O)c1[N+](=O)[O-]	4252
+CC(C)(C)c1ccccc1C2CCNCC2	1413
+CC(C)(C)c1c(c(cc(OCCC)c1C)C(C)(C)C)O	173
+CC(C)(C)c1c(ccc(C#Cc2ccc(cc2)C(OCC)=O)c1)C3(CC3)OCC	129
+CC(C)(C)c1c(cn(n1)CC(Nc2sc3CCCCc3c2C(NCCO)=O)=O)CNCC	7666
+CC(C)(C)c1cc2c(c(C(C)(C)C)c1OC(C)=O)CC(C)(CO)O2	7667
+CC(C)(C)c1[nH]c2cc([N+]([O-])=O)ccc2c1CC=O	571
+CC(C)(C)c1[nH]c2cc(ccc2c1CCN3C(CCC3)c4ccc(cc4)C=CC(=O)OC)N	0
+CC(C)(C)c1c(c(-c2nc3cc(-c4c(cccc4)C(F)(F)F)nc(OCCN(C)C)c3[nH]2)n(n1)C)Cl	61
+FC(F)(F)c1c(-c2cc(c(c(n2)OC)[N+](=O)[O-])NC(=O)c3n(nc(c3Cl)C(C)(C)C)C)cccc1	187
+FC(F)(F)c1ccccc1-c2cc(c(c(N3CCN(CC3)C)n2)[N+](=O)[O-])NC(=O)c4n(nc(C(C)(C)C)c4Cl)C	187
+CC(C)(C)c1nn(C)c(c1Cl)C(Nc2c(c(nc(c2)-c3ccccc3Cl)OC)[N+](=O)[O-])=O	187
+CC(C)(C)c1cc(nnc1Cl)NN	599
+CC(C)(C)c1c(N(C)C)c(Cl)cc(C=O)c1	146
+CC(C)(C)c1c2ncccn2nc1N	7668
+CC(C)(C)c1c(N2CCN(CC2)C(=O)CCC(O)=O)cccc1	4
+CC(C)(C)c1c(cc(CCC(CC2CCCCC2)=O)cc1)NC(=O)CC3c4ccccc4Oc5ccccc35	86
+CC(C)(C)c1c(cc(cc1)CCC=O)NC(=O)CC2c3ccccc3Oc4ccccc24	24
+CC(C)(C)c1cc(cc(N)c1O)C(C)=O	0
+CC(C)(C)c1cc(c([N+]([O-])=O)cc1OCc2ccccc2)Br	22
+CC(C)(C)c1c(cc2CC3(CCCCCC3)Oc2c1)O	414
+CC(C)(C)c1c(c(cc(c1)C(O)=O)I)O	1202
+CC(C)(C)c1c(O)c([N+]([O-])=O)cc(c1)C(C)=O	77
+CC(C)(C)c1c(ccc(CC(N(C(=O)C(C(C)C)N(C)C(OCc2ccccc2)=O)C)C(O)=O)c1)O	4
+CC(C)(C)c1cc(O)c(cc1OC(C(C)(C)C)=O)CC=C	423
+CC(C)(C)c1cc(cc(c1OC(=O)C)C)O	173
+CC(C)(C)c1cc(cc(C=Cc2c(C(Cl)=O)cc(cc2)NS(=O)(=O)C)c1OC)N3C(=O)NC(C=C3)=O	82
+CC(C)(C)c1c(c(N)cc(Br)c1)OC	0
+CC(C)(C)c1c(cc(c(-c2c(nccc2)OC)c1)CSC)OC	305
+CC(C)(C)c1c(OC)cc2c(C(=O)C(C2)CC(C)C)c1	7669
+CC(C)(C)c1cccc(C(=C)c2cccc(c2)-c3ccccc3OC)c1OCc4ccccc4	2855
+CC(C)(C)c1cccc(c1OCc2ccccc2)C(c3ccccc3)c4cc(ccc4)-c5c(cccc5)OC	4253
+CC(C)(C)c1c(Oc2ccc(-c3cc(C(O)=O)c(cc3)Cl)cc2NC(Nc4ccc(cc4)C)=O)cccc1	11
+CC(C)(C)c1c(cc(N)c(N)c1)SC#N	0
+CC(C)(C)c1c(Cl)c(-c2nc3c([nH]2)cc(nc3OCC=O)-c4c(C(F)(F)F)cccc4)n(n1)C	24
+CC(C)(C)c1c(c(-c2nc3c([nH]2)c(nc(c3)-c4c(cccc4)C(F)(F)F)OCCO)n(n1)C)Cl	35
+CC(C)(C)c1cc2C(=O)C(Cc2c(-c3ccccc3)c1OCC(C)C)C	11
+CC(C)(C)c1cc(c(C)c(C(C)(C)C)c1OC(=O)C)OC2OCCCC2	385
+CC(C)(C)c1cccc(C(C)c2cccc(-c3c(OC)cccc3)c2)c1O	16
+CC(C)(C)c1c(OCc2ccccc2)c(C(c3ccccc3)(c4cccc(c4)-c5c(cccc5)OC)O)ccc1	7670
+CC(C)(C)c1cc(cc(C=Cc2c(cc(cc2)NS(=O)(=O)C)COC)c1OC)N3C(=O)NC(C=C3)=O	2868
+CC(C)(C)c1c(c(N)c(c(C=O)n1)Cl)F	4254
+CC(C)(C)c1c(c(N2CCN(CC2)CC(=O)OCC)cc(Br)c1)OC	303
+CC(C)(C)c1cc(cc(I)c1O)C(OC)=O	128
+CC(C)(C)c1c(cc(O)c(Cl)c1)N	0
+CC(C)(C)c1c(cc(N)cc1)OC	0
+CC(C)(C)c1c(cc(c(c1)-c2cccnc2O)CSC)OC	104
+CC(C)(C)c1c(cc(c(c1)OS(=O)(=O)N(C)C)C)S	1180
+CC(C)(C)c1c(O)cc([N+](=O)[O-])c(Br)c1	4255
+CC(C)(C)c1c(SS(=O)(=O)c2ccc(cc2)C)cc(c(OS(=O)(=O)N(C)C)c1)C	7671
+CC(C)(C)OC(Oc1ccc(C(C)(C)C)c(OCc2ccccc2)c1)=O	22
+CC(C)(C)c1ccc(cc1O)N	0
+CC(C)(C)c1c(cc([N+](=O)[O-])cc1)OC	65
+CC(C)(C)c1c(ccc(c1)C#Cc2ccc(cc2)C(=O)O)C3(CC3)OCC	6
+CC(C)(C)c1c(O)ccc(c1)CC(N(C)C(C(C(C)C)N(C)C(OCc2ccccc2)=O)=O)C(=O)OC	478
+CC(C)(C)c1c(N2CCCCC2)ccc(C=O)c1	146
+CC(C)(C)c1cc(C(C#Cc2ccc(cc2)C(=O)O)O)ccc1N3CCCC3	121
+CC(C)(C)c1cc(C(C#Cc2ccc(cc2)C(=O)O)O)ccc1N3CCCCC3	121
+CC(C)(C)c1ccc(cc1N)[N+]([O-])=O	77
+CC(C)(C)c1c(cccc1)N2CCN(CC2)C(=O)NCC(=O)O	3
+CC(C)(C)c1ccccc1OCCNC	352
+CC(C)(C)c1ccccc1Oc2c(N)cccn2	13
+CC(C)(C)c1ccccc1Oc2c(NC(=O)Nc3ccc(cc3)C)cc(cc2)-c4c(cccc4)C(=O)O	124
+CC(C)(C)c1cc(cc2C(C)(C)COc12)N	1599
+CC(C)(C)c1c2ncccn2nc1NC(Cc3ccc(cc3)Cl)=O	142
+CC(C)(C)c1c(nn2c1nccc2)NC(=O)CCc3ccccc3	195
+CC(C)(C)c1cc(-c2cccc(C(C)(C)C)c2)c(NC=O)cc1	753
+CC(C)(C)c1cc(c(O)c(Br)c1)C=O	502
+CC1(C)OB(OC1(C)C)c2ccc(O)c(c2)C(C)(C)C	17
+CC(C)(C)c1cc(cc(c1O)[N+](=O)[O-])Br	77
+CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=N)NO	181
+CC(C)(C)c1[nH]nc(c1)C(=O)NC2CCCN(c3nc(Nc4ccc(cc4)N(CC)CC)c(C(=O)N)cc3)C2	81
+CC(C)(C)c1cc(cc(OC(COC)COC)c1)C(OC)=O	624
+CC(C)(C)c1cc(OCCOC)cc(c1)C(O)=O	1
+CC(C)(C)c1cc(Cl)nc(C)c1	174
+CC(C)(C)c1cc(c(c(C)c1O)CC#N)C	177
+CC(C)(C)c1cc(nc(c1)Cl)CN(C)C	596
+CC(C)(C)c1cc(c(OC)c(CO)c1)NC(=O)OCC(Cl)(Cl)Cl	90
+CC(C)(C)c1cc(c(N)c(Cl)c1)C	4256
+CC(C)(C)c1nn2cc(Br)cnc2c1	7672
+CC(C)(C)c1cc([N+]([O-])=O)c(OC)c(SC)c1	2869
+CC(C)(C)c1nn(-c2ccc(cc2)[N+](=O)[O-])c(c1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	7673
+CC(C)(C)c1cc(N)n(n1)-c2cccc(O)c2	5
+CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c3ccc(cc3)C)n1	278
+CC(C)(C)c1cc(n(n1)-c2ccc(cc2)C(OC)=O)NC(=O)Oc3ccccc3	278
+CC(C)(C)c1cc(N)n(n1)-c2cccc(OCCN(C)C)c2	20
+CC(C)(C)c1nn(c(NC(OCC(Cl)(Cl)Cl)=O)c1)-c2cccc(OCCN(C)C)c2	278
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(=O)Nc3cc(on3)C(C)(C)C	142
+CC(C)(C)c1cc(NC(Nc2cccc(O)c2)=O)no1	7674
+CC(C)(C)c1nn(c(NC(=O)Nc2c(F)cc(Oc3cc(ncc3)C)cc2)c1)-c4ccc(cc4)CO	98
+CC(C)(C)c1cc(n(-c2ccc(cc2)CCO)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	21
+CC(C)(C)c1cc(NC(=O)NC2c3cc(F)ccc3C(Oc4ccc5nnc(C(C)C)n5c4)CC2)n(C)n1	1962
+CC(C)(C)c1ccc([N+](=O)[O-])c(N)c1	630
+CC(C)(C)c1cc(c(s1)CN)NC(=O)Nc2ccc(cc2)C	7675
+CC(C)(C)c1cc(NC(Nc2cc(Oc3c4cc(OC)c(cc4ncn3)OCC)ccc2)=O)no1	185
+CC(C)(C)c1cc(NC(Nc2cccc(Oc3c4cc(c(F)cc4ncn3)F)c2)=O)no1	185
+CC(C)(C)c1cc(cc(N)c1)C#N	78
+CC(C)(C)c1c(c(c(C(C(C)C)O)c(O)c1)C)OC(=O)C	4257
+CC(C)(C)c1c(c(C(C)(C)C)cc(OC)c1CC=C)OC(=O)C	65
+CC(C)(C)c1cc2OC(Cc2cc1OC(=O)C(C)(C)C)C	4258
+CC(C)(C)c1cc(ccc1Cl)OC(Cl)=O	7676
+CC(C)(C)c1cc(OC(C)C)cc(c1)-c2n(nc(-c3ccc(cc3)C(=O)O)c2)-c4ccc(cc4)C(=O)N	1
+CC(C)(C)c1cc(c(cc1)N)OC	0
+CC(C)(C)c1cc(cc(OCCOC)c1)C(C)=O	1024
+CC(C)(C)c1cc([N+]([O-])=O)c(OC)c(c1)Cl	65
+CC(C)(C)c1cc(N)c(OC)c([N+]([O-])=O)c1	0
+CC(C)(C)c1cc(c(C(O)=O)cc1)N	0
+CC(C)(C)c1cc(c(c(c1)S(C)=O)OC)[N+]([O-])=O	2571
+CC(C)(C)c1cc(N)c(c(c1)Cl)OC	0
+CC(C)(C)c1cc(c(c([N+]([O-])=O)c1)OC)CO	41
+CC(C)(C)c1cc(C)[n+]([O-])c(Cl)c1	375
+CC(C)(C)c1cc(c(cc1)CO)Cl	49
+CC(C)(C)c1cc(c(c(C(C)(C)C)c1OC(=O)C)C)O	805
+CC(C)(C)c1c(cc(c(OS(=O)(=O)N(C)C)c1)C)SC#N	4259
+CC(C)(C)c1c(O)c(c(c(C)c1)CC(=O)Cl)C	130
+CC(C)(C)c1ccc(c(C(C)(C)C)c1)CCCl	221
+CC(C)(C)c1cc(C)cc(c1)Cl	480
+CC(C)(C)c1ccc(c([N+]([O-])=O)c1)NCc2ccccc2	608
+CC(C)(C)c1cc(c(O)c(C=O)c1)-c2nccc(n2)C(F)(F)F	7677
+CC(C)(C)c1c(cc(O)c(c1)Cl)[N+]([O-])=O	4255
+CC(C)(C)c1cc(NC(NC2Cc3ccccc3C2)=O)c(OC)c(c1)CO	1962
+CC(C)(C)c1ccc(c(CO)c1)OCc2ccccc2	41
+CC(C)(C)c1c(C)c(OCCC)cc(C(C)(C)C)c1OC(=O)C	8
+CC(C)(C)c1cc(c(CC(=O)O)c(C)c1O)C	1588
+CC(C)(C)c1cc(c(OC)c(N)c1)S(=O)(=O)NC(C)(C)C	0
+CC(C)(C)c1cc(CO)c(OC)c(N)c1	0
+CC(C)(C)c1cc(c(c(N)c1)OC)S(C)=O	0
+CC(C)(C)c1ccc-2c(OP(Oc3c(OC)cc(cc-23)C)OC4CC(C)CCC4C(C)C)c1	7678
+CC(C)(C)c1ccc(C=O)c(Cl)c1	39
+CC(C)(C)c1cc(OC)c(cc1)[N+]([O-])=O	65
+CC(C)(C)c1c(O)cc2C(C3(CCCCCC3)Oc2c1)O	7679
+CC1(C)OB(OC1(C)C)c2cc(cc(C(C)(C)C)c2)O	17
+CC(C)(C)c1cc(cc(O)c1)C(O)=O	2599
+CC(C)(C)c1cc(cc(c1)C#N)C(O)=O	1
+CC(C)(C)c1cc(cc(C(=O)OC)c1)C#N	274
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(n(C)c2CC3CCCCC3)C(=O)OC	819
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(C(=O)N)n(C)c2CC3CCCCC3	247
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(n(C)c2CC3CCCCC3)C(=O)O	1
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)CN2CCOc3ccc(cc23)C=O	507
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)N2CCN(CC2)C(=O)c3sc(C)cc3	867
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C2SCC(=O)N2CCCO	21
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C=Cc2cc(C)c(c(C)c2)-c3c(cncc3C)C	914
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)N(C)c2ccc(cc2)C(=O)O	4260
+CC(C)(C)c1cc(cc(C(C)(C)C)c1OC(C)=O)O	5
+CC(C)(C)c1cc(O)c(c(C(C)(C)C)c1OC(=O)C)CC=C	423
+CC(C)(C)c1c(c(C=Cc2ccc(cc2CO)NS(=O)(=O)C)cc(c1)N3C(=O)NC(C=C3)=O)OC	1146
+CC(C)(C)c1cc(cc(n1)Cl)C(=O)O	1
+CC(C)(C)c1c(OCc2ccccc2)c(cc(c1)C(OC)=O)I	22
+CC(C)(C)c1cc(C(=O)OC)cc(O)c1	47
+CC(C)(C)c1cc(C(C#Cc2ccc(cc2)C(=O)O)O)cc(Cl)c1N(C)C	121
+CC(C)(C)c1c(OC)c(cc(c1)Br)[N+](=O)[O-]	65
+CC(C)(C)c1cc(O)c(C=O)c(c1OC(=O)C)C	502
+CC(C)(C)c1nc(cc(c1)C(=O)Nc2ccc(c(-n3ccn4c3cc(-c5cccnc5)n4)c2)C)Cl	67
+CC(C)(C)c1c2OCC(C)(C)c2cc(NC(C)C)c1	231
+CC(C)(C)c1cc(cc2c1OCC2(C)C)-c3noc(C)n3	4261
+CC(C)(C)c1cccc(c1)B(OC)OC	2159
+CC(C)(C)c1cccc(C2=CC(=O)N(N2)c3nc4ccccc4s3)c1	1916
+CC(C)(C)c1cc(O)ccc1Cl	662
+CC(C)(C)c1cc(c(cc1)[N+](=O)[O-])O	31
+CC(C)(C)c1cc(c(cc1)-c2cc(cc(OC)c2O)C)O	7680
+C[Si](C)(C)C#Cc1cc(C(C)(C)C)c(cc1)C2(CC2)OCC	2823
+CC(C)(C)c1c(ccc(OC(=O)N(C)c2ccc(cc2)F)c1)Cl	1199
+CC(C)(C)c1c(ccc(C=O)c1)N2CCCC2	146
+CC(C)(C)c1cc(CC(N(C(C(C(C)C)NC)=O)C)C(=O)N)ccc1O	679
+CC(C)(C)c1c(cc(c(c1)Br)[N+]([O-])=O)OC(OC)=O	77
+CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)Oc3ccncc3)n(-c4ccc(cc4)CC(=O)O)n1	3
+CC(C)(C)c1cc(n(n1)-c2ccccc2)NC(=O)Nc3cc(Oc4c5cc(OC)c(cc5ncn4)OCCOC)ccc3	446
+CC(C)(C)c1cc(NC(=O)Nc2c(F)cc(Oc3cc(ncc3)C)cc2)n(-c4ccc(cc4)C(=O)OC)n1	446
+CC(C)(C)c1cc(NC(=O)Nc2cc(ccc2)C#Cc3cnc(nc3)Cl)n(C)n1	7681
+CC(C)(C)c1cc([n+](cc1)[O-])C	341
+CC(C)(C)c1n(C)nc(NC(C(P(OC)(OC)=O)OC)=O)c1	195
+CC(C)(C)c1c(nn2c(-c3c(c(F)ccc3F)F)nnc2c1)Cl	7682
+CC(C)(C)c1cc(NC(=O)Nc2cc(ccc2)Sc3ncnc4cc(c(OC)cc34)OCCOC)no1	1124
+CC(C)(C)c1c(c(c2c(C=C(C2)C)c1)-c3ccccc3)OCC(C)C	4262
+CC(C)(C)c1cc2C=NN(Cc3c(CO)cc(-c4ccnc(O)c4)cc3)C(=O)c2c(F)c1	104
+CC(C)(C)c1cc(c2C(N(N=Cc2c1)c3nccc(C4=CN(C)C(C(Nc5cc6n(CCOC6)n5)=C4)=O)c3CO)=O)F	269
+CC(C)(C)c1cc(c2C(N(N=Cc2c1)c3c(CO)c(ccn3)C4=CN(C)C(=O)C(Nc5ncc(s5)C)=C4)=O)F	269
+CC(C)(C)c1c(cc2c(c1)OC(C)C2)O	7683
+CC(C)(C)c1c(c(CC(C)C)c2c(OC3(CCCCCC3)C2)c1)O	2616
+CC(C)(C)c1cc2OC3(CCCCCC3)Cc2c(c1O)CC(=C)C	1625
+CC(C)(C)c1ccc2C(CCOc2c1)=NOC	189
+CC(C)(C)c1ccc2N(CC3(CCN(CC3)C(=O)OCc4ccccc4)c2c1)C(=O)c5c(F)cccc5F	448
+CC(C)(C)c1[nH]c2c(cc([N+](=O)[O-])cc2C(=O)O)c1	2160
+CC(C)(C)c1c2c(cc(c1O)C(C)(C)C)OC(C)(CO)C2	173
+CC(C)(C)c1cc2C=NN(c3c(CO)c(Cl)ccn3)C(c2c(F)c1)=O	269
+CC(C)(C)c1cc2C=NN(c3c(c(C4=CN(C(C(Nc5cc6n(CCOC6)n5)=C4)=O)C)ccn3)C=O)C(=O)c2c(F)c1	2870
+CC(C)(C)c1cc2C=NN(c3nccc(c3C=O)C4=CN(C(C(Nc5ncc(s5)C)=C4)=O)C)C(=O)c2c(F)c1	2870
+CC(C)(C)c1cc2c(c(F)c1)C(N(Cc3cc(c(-c4ccnc(O)c4)cc3F)CO)N=C2)=O	104
+CC(C)(C)c1cc2C=NN(Cc3ccc(cc3CO)-c4cc(OC)ncc4)C(=O)c2c(F)c1	498
+CC(C)(C)c1cc2c(c(F)c1)C(N(Cc3cc(c(-c4cc(ncc4)OC)cc3F)CO)N=C2)=O	498
+CC(C)(C)c1cc2c(c(F)c1)C(=O)N(N=C2)c3c(C=O)c(Cl)ccn3	7684
+CC(C)(C)c1cc2c(c(F)c1)C(N(Cc3ccc(cc3CO)Br)N=C2)=O	3288
+CC(C)(C)c1cc2nc(oc2cc1)N3CCN(CCC3)C(N4CCS(CC4)(=O)=O)=O	776
+CC(C)(C)c1cc2cc(ncc2n1CCO)NC(C3(CC3)c4ccc5OC(F)(F)Oc5c4)=O	142
+CC(C)(C)c1cc2cc(ncc2[nH]1)N	664
+CC(C)(C)c1[nH]c2c(cc(cc2CO)N)c1	0
+CC(C)(C)c1cc2c(cc(C(=O)O)cc2)cc1	1
+CC(C)(C)c1cc2ccc3c(-c4ccccc4)ccc5ccc(c1)c2c35	11
+CC(C)(C)c1cc2ccc3ccc(-c4ccc(cc4)Cl)c5ccc(c1)c2c35	11
+CC(C)(C)c1nn2c(nc(C)c(CC(OC)=O)c2Cl)c1	4263
+CC(C)(C)c1cc2nc(C)c(C(C(=O)O)CCC)c(-c3cc4c(cc3)cccc4)n2n1	4
+CC(C)(C)c1cc(c(C(O)=O)cc1)Cl	1
+CC(C)(C)c1cc(c(CC(=O)C(OCC)=O)cc1)[N+](=O)[O-]	2161
+CC(C)(C)c1cc([N+](=O)[O-])c(cc1)C(O)=O	820
+CC(C)(C)c1sc(C2C(C2)C(=O)O)cc1	3
+CC(C)(C)c1oc(C2C(C(N3CC(C)OC(C3)C)=O)C2)cc1	58
+CC(C)(C)c1ccc(C2C(C(=O)OCC)C2)s1	4264
+CC(C)(C)c1ccc(c(c1)OC)CCN(C)C	15
+CC(C)(C)c1ccc(c(OC)c1)CC(=O)Cl	4265
+CC(C)(C)c1c(SC#N)cc(c(c1)N)[N+]([O-])=O	2871
+CC(C)(C)c1cc(SC(F)(F)F)c(N)cc1	0
+CC(C)(C)c1cc(-c2cccc(C(C)(C)C)c2)c(cc1)N	11
+CC(C)(C)c1cc(c(OCc2ccccc2)cc1)CCl	229
+CC(C)(C)c1cc(c(OC(OC)=O)cc1[N+](=O)[O-])Cl	77
+CC(C)(C)c1cc2NC(Oc2cc1)=S	2872
+CC(C)(C)c1ccc2oc(-c3cc(C(=O)OC)cc([N+](=O)[O-])c3)nc2c1	2453
+CC(C)(C)c1ccc(CC(=O)N(C)C)c(c1)OC	58
+CC(C)(C)c1ccc(c(c1)Oc2scc(C(=O)Nc3c(nc(nc3OC)NCCC(=O)OCC)OC)n2)C	4266
+CC(C)(C)c1ccc(c(c1)Oc2scc(C(=O)Nc3c(OC)nc(nc3OC)NCCS(=O)(=O)NC(C)C)n2)C	4266
+CC(C)(C)c1cc(S(=O)(=O)Cl)c(c([N+](=O)[O-])c1)OC	77
+CC(C)(C)c1cc(c(N)cc1)[N+]([O-])=O	106
+CC(C)(C)c1cc(c(OCc2ccccc2)cc1)C=O	139
+CC(C)(C)c1cc(c(CCN(C)C)cc1)O	5
+CC(C)(C)c1ccc(c(c1)Oc2scc(C(=O)Nc3c(OC)nc(nc3OC)NCCC(=O)O)n2)C	3
+CC(C)(C)c1ccc(cc1)-c2c(C(Nc3cc4ncc(cc4cc3)C(O)=O)=O)cccc2	6
+CC(C)(C)c1ccc(cc1)-c2c(c(cs2)CO)OCOC	4267
+CC(C)(C)c1ccc(cc1)-c2scc(C=O)c2OCOC	2873
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(CC(C)C)c3ccc(cc3)C(OC)=O)C	20
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(CC(C)C)c3ccc(cc3)C(=O)O)C	1
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(C)c3sc(cc3)C(O)=O)C	6
+CC(C)(C)c1ccc(cc1)-c2cc(cc3C(C)(C)CCC(C)(C)c23)C(=O)C=Cc4ccc(cc4)C(=O)O	307
+CC(C)(C)c1ccc(cc1)-c2cc(cc(C(O)=O)c2)Nc3c4ccc(cc4ncc3C(=O)N)-c5c(nc(nc5)OC)OC	179
+CC(C)(C)c1ccc(cc1)-c2cccc(C3C(C)(C)Cc4cc(Cl)cc(C(NS(=O)(=O)C5CC5)=O)c4N3)c2	258
+CC(C)(C)c1ccc(cc1)-c2cccc(C3C(C)(C)Cc4c(c(cc(Cl)c4)C(O)=O)N3)c2	1
+CC(C)(C)c1ccc(cc1)-c2n(C)nc(C(=NNC(c3ccc(c(c3)O)C(=O)O)=O)C)c2O	1
+CC(C)(C)c1ccc(cc1)-c2n(C)nc(C(=NNC(c3ccc(C(=O)OC)c(c3)O)=O)C)c2O	2398
+CC(C)(C)c1ccc(cc1)-c2scc(C(=O)C)c2OCOC	7685
+CC(C)(C)c1ccc(cc1)-c2scc(C(C)O)c2OCOC	7686
+CC(C)(C)c1ccc(cc1)-c2cccc(C3Nc4c(CC3(C)C)cc(cc4C(OC)=O)Cl)c2	11
+CC(C)(C)c1ccc(cc1)-c2c3c(cc(C(C)=O)c2)C(C)(C)CCC3(C)C	368
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)O)C	11
+CC(C)(C)c1ccc(cc1)-c2cc(cc(N)c2)C(=O)O	11
+CC(C)(C)c1ccc(cc1)-c2c(C(Nc3ccc4c(c3)ncc(c4)C(OCC)=O)=O)cccc2	11
+CC(C)(C)c1ccc(C)c(c1)[N+]([O-])=O	31
+CC(C)(C)c1ccc(cc1)-c2n(C)nc(C(=O)C)c2O	4268
+CC(C)(C)c1ccc2c(c1)CCC2=O	7687
+CC1(C)OB(OC1(C)C)c2cccc(c2C)NC(=O)c3ccc(cc3)C(C)(C)C	50
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(ccc2C(=O)OC)[N+]([O-])=O	50
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(-c3nc(c4n(c3)ccn4)Nc5cc6[nH]cnc6cc5)ccc2	50
+CC(C)(C)c1ccc(cc1)C(=O)Nc2c(cccc2)C(OC)=O	50
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(ccc2)-c3cn4c(ncc4)c(Nc5ccccc5)n3	50
+CC(C)(C)c1ccc(cc1)C2=Nc3c(cccc3)C(=O)O2	4269
+CC(C)(C)c1ccc(cc1)C(=O)Nc2c(cccc2)C(O)=O	1
+CC(C)(C)c1ccc(cc1)C(=O)Nc2c(C(OC)=O)ccc(N)c2	0
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2C)C3=CN(C(=O)C(=C3)Nc4ccc(cc4)C(=O)O)C	6
+CC(C)(C)c1ccc(cc1)C(CCCN2CCN(CC2)c3cc(F)c(cc3F)O)=O	5
+CC(C)(C)c1ccc(cc1)C2=Cn3c(cc(C(=O)OCC)n3)C(=O)N2	4270
+CC(C)(C)c1ccc(cc1)C(Nc2c(c(ccc2)C=3N=C(C(N(C=3)C)=O)Nc4ccc(cc4)CCOS(=O)(=O)C)C)=O	7
+CC(C)(C)c1ccc(cc1)C2=C(C(=O)N(c3ccc(cc3)C#N)N2C)C(=O)Cl	7688
+CC(C)(C)c1ccc(cc1)C=2NC(=O)c3ccnn3C=2	7689
+CC(C)(C)c1ccc(cc1)C2=Cn3c(cc(C(=O)O)n3)C(=O)N2	6
+CC(C)(C)c1ccc(cc1)C2=C(C(=O)O)C(N(N2C)c3ccc(cc3)C#N)=O	108
+CC(C)(C)c1ccc(cc1)CC(CN2CCCCC2)C	1028
+CC(C)(C)c1ccc(cc1)C=C(CO)C	2874
+CC(C)(C)c1ccc(cc1)C=CC(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O	3
+CC(C)(C)c1ccc(cc1)C=CC(c2c(cc(OCC=C(C)C)cc2)OCC(OCC)=O)=O	52
+CC(C)(C)c1ccc(cc1)C=CC(c2ccc(cc2O)OCC=C(C)C)=O	307
+CC(C)(C)c1ccc(cc1)C=C(C=O)C	1103
+CC(C)(C)c1ccc(cc1)CNCCN(CC)c2cc(C)ccc2	42
+CC(C)(C)c1ccc(cc1)C2C(C(=O)c3ccc(cc3)OCC(=O)O)=C(O)C(=O)N2c4nnc(C)s4	7690
+CC(C)(C)c1ccc(cc1)COc2ccccc2C=CC(CCc3ccc(cc3)C#N)CCCCC(OCC)=O	22
+CC(C)(C)c1ccc(cc1)COc2c(C=CC(Cc3ccc(cc3)C(=O)OC)CCCCC#N)cccc2	22
+CC(C)(C)c1ccc(cc1)CC(c2ccc(cc2)Cl)=O	7691
+CC(C)(C)C1CCC(CC1)CC(CN2CCCCC2)C	7692
+CC(C)(C)c1ccc(cc1)CC(c2ccc(cc2)Cl)=NN	1713
+CC(C)(C)c1ccc(cc1)CNC(=O)C(C)c2cc(N)c(cc2)N	9
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(C)C(CCCc3ccc(OC(C)(C)C(OC)=O)c(c3)C)C2	27
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(C)C(CCCc3cc(C)c(OC(C)(C)C(=O)O)cc3)C2	3
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(Cc3ccc(cc3)N)CCC2	0
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(CCC2)Cc3ccc(cc3)NS(=O)(=O)C	80
+CC(C)(C)c1ccc(cc1)CN2c3ccccc3N(Cc4ccc(cc4)[N+]([O-])=O)C2=O	1939
+CC(C)(C)c1ccc(cc1)CN2c3c(N(Cc4ccc(cc4)NS(=O)(=O)C)C2=O)cccc3	80
+CC(C)(C)c1ccc(cc1)CN2c3ccccc3N(Cc4ccc(cc4)N)C2=O	0
+CC(C)(C)c1ccc(cc1)CNC(C(C)c2cc3[nH]nnc3cc2)=O	1714
+CC(C)(C)c1ccc(cc1)CNC(=O)c2cc3cc(OCc4ccccc4)cnc3nc2C	7693
+CC(C)(C)c1ccc(cc1)CNC(=O)c2cc3c(ncc(O)c3)nc2C	321
+CC(C)(C)c1ccc(cc1)CNC(=O)c2cc3c(nc2C)ncc(c3)I	7694
+CC(C)(C)c1ccc(cc1)CN(C(=O)c2c3[nH]ccc3cc(Cl)c2)CCN(CC)c4cccc(C)c4	211
+CC(C)(C)c1ccc(cc1)COc2cccc(c2)C(=O)Nc3c(S(=O)(=O)N)cccc3	67
+CC(C)(C)c1ccc(cc1)COc2ccccc2C=CC(CCc3ccc(cc3)-c4[nH]nnn4)CCCCC(OCC)=O	2162
+CC(C)(C)N1N=CC(SCc2ccc(cc2)C(C)(C)C)=C(COS(=O)(=O)c3ccc(cc3)C)C1=O	7695
+CC(C)(C)c1ccc(cc1)Nc2ncnc3c2CCN(CC3)c4c(C(F)(F)F)cccn4	73
+CC(C)(C)c1ccc(cc1)Nc2nc(N)nc(c2)Cl	73
+CC(C)(C)c1ccc(cc1)NC(=O)c2cccc(-c3nc(Nc4ccc(cc4)C(N5CCOCC5)=O)c6n(c3)ccn6)c2	67
+CC(C)(C)c1ccc(cc1)N2CCC(O)=C(C2=O)C#N	4223
+CC(C)(C)c1ccc(cc1)N2CCC(OC)=C(C#N)C2=O	7696
+CC(C)(C)c1ccc(cc1)NC(=O)NC(CC)CC(OC)=O	282
+CC(C)(C)c1ccc(cc1)NC(=O)NCCC(=O)OCC	282
+CC(C)(C)c1ccc(c([N+]([O-])=O)c1)NC(C)=O	31
+CC(C)(C)c1ccc(cc1)NC(=O)NC(CCO)CC	95
+CC(C)(C)c1ccc(cc1)NC(NC(CC)CC=O)=O	24
+CC(C)(C)c1ccc(cc1)NC(NCCC(O)=O)=O	3
+CC(C)(C)c1ccc(cc1)NC(=O)NCCCOS(=O)(=O)C	7
+CC(C)(C)c1ccc(cc1)NC(=O)NC(CC)CCN(CC2C3OC(C)(C)OC3C(n4cnc5c(N)ncnc45)O2)C	61
+CC(C)(C)c1ccc(cc1)NC(NCCC(=O)N(CC)CC2C(C(O)C(n3cnc4c3ncnc4N)O2)O)=O	265
+CC(C)(C)c1ccc(cc1)NC(NCCC(N(CC2OC(C3C2OC(C)(C)O3)n4c5ncnc(c5nc4)N)CC)=O)=O	10
+CC(C)(C)c1ccc(cc1)N(CCC(OCC)=O)C(=O)CC#N	429
+CC(C)(C)c1ccc(cc1)Nc2c3CCN(c4ncccc4Cl)Cc3nc(CN5CCOCC5)n2	43
+CC(C)(C)c1ccc(cc1)Nc2c3CCNCc3nc(n2)CN4CCOCC4	25
+CC(C)(C)c1ccc(cc1)Nc2nc(N)nc(c2)OCc3ccccc3C(F)(F)F	145
+CC(C)(C)c1ccc(O)c(Cl)c1	7697
+CC(C)(C)c1ccc(cc1)Oc2c3ccccc3n(Cc4cc(OCCOC)cc(c4)OCCOC)c2C(OCC)=O	962
+CC(C)(C)c1ccc(cc1)Oc2c(n(c3ccccc23)Cc4cc(OCCOC)cc(c4)OCCOC)C(=O)O	6
+CC(C)(C)c1ccc(cc1)S(=O)(=O)NCC(C)(C)c2c3ccccc3[nH]c2	71
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(c3cnccc3)=O)Cl	69
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc3ncccc3c2	69
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C)C(C)C=2N(c3ccc(cc3)OC)C(c4ccccc4N=2)=O	92
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C)C(C=2N(c3ccc(cc3)O)C(c4ccccc4N=2)=O)C	5
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C)C(C=2N(c3ccc(cc3)OCc4ccccc4)C(c5ccccc5N=2)=O)C	20
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(c2cc3c(cc2)nccc3)CC(O)=O	32
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(c2cc3c(nccc3)cc2)CC(N(Cc4nc(ccc4)C)CC)=O	10
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CC(N(Cc2nc(ccc2)C)CC)=O)c3ccc(N)nc3	10
+CC(C)(C)c1ccc(cc1)C(c2cc(-c3cc(ccc3)S(=O)(=O)NC4CC4)cnc2N)=O	7698
+CC(C)(C)c1c(cc(cc1)[N+](=O)[O-])O	4271
+CC(C)(C)c1c(cc(cc1)[N+](=O)[O-])O	606
+CC(C)(C)c1c(NC(=O)CC2c3ccccc3Oc4ccccc24)cc(cc1)CCCO	44
+CC(C)(C)c1c(OCc2ccccc2)cc(OCC(OCC)=O)cc1	52
+CC(C)(C)c1ccc2C(CCOc2c1)N	2526
+CC(C)(C)c1ccc2C(CCOc2c1)NC(Nc3c4cc(C)ncc4ccc3)=O	282
+CC(C)(C)c1cc2OCCC(=O)c2cc1	155
+CC(C)(C)c1cc2C3(CCNCC3)CN(C(=O)c4c(F)cccc4F)c2cc1	62
+CC(C)(C)c1ccc2c(ncc(c2Cl)C(=O)OCC)c1	120
+CC(C)(C)c1cc2CC(=NO)C(=O)c2cc1	3659
+CC(C)(C)c1ccc2c(nc(o2)-c3cc(cc(c3)CO)[N+](=O)[O-])c1	49
+CC(C)(C)c1ccc2c(nc(-c3cc(cc(COc4cccc(c4)Cl)c3)[N+](=O)[O-])o2)c1	20
+CC(C)(C)c1ccc2cc(C(OCC)=O)cnc2c1	4272
+CC(C)(C)c1cc2ccc(C(OC)=O)cc2cc1	833
+CC(C)(C)c1cc2c(cc(cn2)C(O)=O)cc1	6
+CC(C)(C)c1ccc2c(c1)nc(-c3cc(cc(c3)[N+]([O-])=O)C(=O)O)o2	1
+CC(C)(C)c1cccc(c1)B(O)O	493
+CC(C)(C)c1c(c(C(c2cccc(-c3c(OC)cccc3)c2)C)ccc1)OCc4ccccc4	4273
+CC(C)(C)c1c(OCc2ccccc2)c(C(C)(c3cccc(-c4c(cccc4)OC)c3)O)ccc1	2157
+CC(C)(C)c1cccc(c1)C=2C(=CN(C)C)C(=O)N(c3sc4c(cccc4)n3)N=2	2163
+CC(C)(C)c1cccc(CN2C(=O)OC3C(CS(=O)(=O)CC23)Cc4cc(c(NC(CNCC)=O)c(F)c4)CC)c1	402
+CC(C)(C)c1cc(CNC2CS(=O)(=O)CC(C2O)Cc3cc(c(c(F)c3)NC(CNCC)=O)CC)ccc1	2875
+CC(C)(C)c1cccc(Nc2cc(nnc2C(=O)N)Cl)n1	1134
+CC(C)(C)c1cccc(B(O)OC)c1	493
+CC(C)(C)c1cccc(C2=NN(C(C2=CN)=O)c3sc4c(cccc4)n3)c1	2876
+CC(C)(C)c1cccc(c1O)C(c2cccc(-c3c(OC)cccc3)c2)c4ccccc4	16
+CC(C)(C)c1c(-c2ccncc2)cccc1	498
+CC(C)(C)c1ccccc1CCOS(=O)(=O)c2ccc(cc2)C	36
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4c(C(C)(C)C)cccc4)O	236
+CC(C)(C)c1c(O)ccc(C(C)=O)c1	94
+CC(C)(C)c1c(cccc1)Oc2c([N+](=O)[O-])cccn2	136
+CC(C)(C)c1ccccc1Oc2c(cc(Br)cc2)[N+]([O-])=O	46
+CC(C)(C)c1ccccc1OCCN(C(=O)Nc2c(cccc2)C(O)=O)C	1
+CC(C)(C)c1ccccc1OCCN(C(=O)Nc2ccccc2C(OC)=O)C	326
+CC(C)(C)c1c(cccc1)Oc2c(cc(-c3c(cccc3)C(O)=O)cc2)N	11
+CC(C)(C)c1c(Oc2c(NC(Nc3ccc(cc3)C)=O)cc(cc2)Br)cccc1	124
+CC(C)(C)c1ccccc1Oc2c(ccc(Cl)n2)N	7699
+CC(C)(C)c1ccccc1Oc2c(N)cc(Br)cc2	0
+CC(C)(C)c1cc(-n2c3c(ccc(c3)Oc4cccc(-n5c6ccccc6cn5)c4)c7ccccc27)ncc1	4043
+CC(C)(C)c1cc(ncc1)C	7700
+CC(C)(C)c1nc(NC(=O)c2c(O)ccc(Br)c2)sc1	173
+CC(C)(C)c1cc2c(n1CCO)cnc(N)c2	664
+CC(C)(C)c1nc2cc(N(S(=O)(=O)c3cccc([N+]([O-])=O)c3)C)ccc2n1CC4CCCCC4	416
+CC(C)(C)c1nc2cc(ccc2n1CC3CCOCC3)NCC	621
+CC(C)(C)c1nc2cc(ccc2n1CC3CCC(F)(F)CC3)N	106
+CC(C)(C)c1c(N)c([nH]n1)C(N)=O	209
+CC(C)(C)c1c(C=O)cn(n1)CC(=O)Nc2sc3CCCCc3c2C(NCCO)=O	1460
+CC(C)(C)c1nc(-c2oc3c(cc(cc3)CSc4ccccc4C(O)=O)c2)sc1	2722
+CC(C)(C)c1nc(-c2oc3c(c2)cc(Cn4cc(c5c4ccc(c5)O)C#N)cc3)sc1	16
+CC(C)(C)c1nc(-c2oc3c(c2)cc(Cn4cc(c5cc(OC)ccc45)C#N)cc3)sc1	65
+CC(C)(C)c1nc(-c2oc3ccc(CSc4ccccc4CO)cc3c2)sc1	49
+CC(C)(C)c1nc(-c2cc3cc(ccc3o2)CCl)sc1	229
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)CSc4c(CCl)cccc4)sc1	2164
+CC(C)(C)c1nc(-c2oc3ccc(CO)cc3c2)sc1	41
+CC(C)(C)c1nc(C2CC2)cc(Cl)n1	64
+CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCCN)C3CCC3	45
+CC(C)(C)c1csc(n1)NC(=O)c2cc(ccc2OC(C)=O)Br	900
+CC(C)(C)c1nc(N2CCC(C2)O)c3c[nH]nc3n1	4274
+CC(C)(C)c1nc2c(cnn2Cc3ccc(cc3)OC)c(Cl)n1	1203
+CC(C)(C)c1sc(-c2nc(N)ncc2)c(-c3cccc(NS(=O)(=O)c4cocc4)c3F)n1	4108
+CC(C)(C)c1sc(c(-c2c(c(N)ccc2)F)n1)-c3nc(ncc3)Cl	2087
+CC(C)(C)c1nc2c(cc(I)cc2)c(Cl)n1	64
+CC(C)(C)c1nc(cc(C2CC2)n1)N3CCN(CC3)CCCSc4ncccn4	3294
+CC(C)(C)c1nc(C2CCC2)cc(Cl)n1	64
+CC(C)(C)c1cc(cc(C#N)n1)C(Nc2cc(-n3c4n(nc(c4)-c5cccnc5)cc3)c(C)cc2)=O	577
+CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCCNC(=O)c3cnccc3)C4CCC4	56
+CC(C)(C)c1nc(C2CCC2)cc(n1)N3CCN(CC3)CCCCN4C(c5c(C4=O)cccc5)=O	28
+CC(C)(C)c1cccc(Nc2c(nnc(c2)Cl)C(=O)OC)n1	845
+CC(C)(C)c1occ(CC#N)n1	4275
+CC(C)(C)c1c(cnc(n1)N2CCOCC2)C(=O)O	6
+CC(C)(C)c1nc(-c2cc(c(cn2)C3CC3)OC(C)C(F)(F)F)on1	260
+CC(C)(C)c1nc(sc1)-c2cc3c(o2)ccc(c3)OCc4c(OC(C(=N)NO)CCC)cccc4	409
+CC(C)(C)c1nc(sc1)-c2cc3c(o2)ccc(c3)OCc4ccccc4OC(CCC)C#N	143
+CC(C)(C)c1nc(sc1)-c2cc3c(o2)ccc(c3)OCc4ccccc4OC(CCC)C(=O)N	83
+O=S(=O)(N(OC)C)c1c(c(N)ccc1Cl)O	7701
+CC(C)(C)c1sc2c(cc(c(N)c2)N3CCN(CC3)C)n1	0
+CC(C)(C)c1nc2cc(N(C)S(=O)(=O)c3cccc(c3)N)ccc2n1CC4CCCCC4	0
+CC(C)(C)c1sc2c(cc(N3CCC(CC3)C)c(N)c2)n1	0
+CC(C)(C)c1nc2cc(N3CC(C)CCC3)c(N=C=S)cc2s1	333
+CC(C)(C)c1n(c2c(n1)cc(cc2)NC)CC3CCCCC3	2062
+CC(C)(C)c1n(CC2CCC(F)(F)CC2)c3c(n1)cc(cc3)NS(=O)(=O)CC	80
+CC(C)(C)c1n(c2c(n1)cc(N(S(=O)(=O)c3ccc(cc3)NC(=O)N)CC)cc2)CC4CCOCC4	416
+CC(C)(C)c1nccn1S(=O)(=O)N(C)C	2752
+CC(C)(C)c1nccc(-c2scc(c2)-c3c(Cl)cc(NS(=O)(=O)C)cc3)c1	1402
+CC(C)(C)c1n(c(C=O)cn1)S(=O)(=O)N(C)C	7702
+CC(C)(C)c1nn(c(CNC(=O)Nc2ccc(C(CO)CO)c(c2)F)c1)-c3cc(ccc3)Cl	238
+CC(C)(C)c1nn(-c2ccc(cc2)C)c(NC(=O)NCc3cc(F)ccc3Oc4ccnc(n4)Cl)c1	185
+CC(C)(C)c1nn(c(c1)NC(=O)Oc2ccccc2)-c3ccc(cc3)CC(OCC)=O	278
+CC(C)(C)c1cc(n(n1)-c2ccc(cc2)NC(=O)CC(C)(C)C(=O)O)NC(=O)Nc3ccc(cc3)Oc4ccncc4	1979
+CC(C)(C)c1nn(-c2ccc(cc2)N)c(NC(=O)Nc3ccc(cc3)Oc4ccncc4)c1	0
+CC(C)(C)c1cc(n(-c2ccccc2)n1)NC(=O)Oc3ccccc3	278
+CC(C)(C)c1c(Cl)c(-c2nc3c(cc(nc3OC)-c4ccccc4Cl)[nH]2)n(n1)C	4276
+CC(C)(C)c1nn(c(C(=O)NC2C(=O)N(C3C(CS(=O)(=O)C(C)C)CC(CC3)N(C(C)C)C)CC2)c1)C	712
+CC(C)(C)c1c(Cl)c(n(C)n1)C(O)=O	6
+CC(C)(C)c1cc(n(-c2ccc(cc2)CC(OCC)=O)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4	446
+CC(C)(C)c1cc2nc(C)c(c(-c3cc4ccccc4cc3)n2n1)C(CCC)C(OC)=O	2057
+CC(C)(C)c1nn2c(c(c(nc2c1)C)C(C(=O)OC)CCC)Cl	2877
+CC(C)(C)c1cc2ncc(C#Cc3ccccc3)cn2n1	1472
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(n3)C4CCNCC4)n2)o1	2
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(C4CCN(CC4)C(C(CO)C)=O)n3)n2)o1	10
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(n3)C4CCN(CC4)C(=O)CC(C)O)n2)o1	10
+CC(C)(C)C1=NC2=C(C(C)=C(C(N2N1)=O)c3ccccc3)C#N	7703
+CC(C)(C)c1nnc(NC(N(CCCl)C)=O)s1	221
+CC(C)(C)c1nnc(s1)N2C(CCN(C)C2=O)O	1903
+FC(F)(F)c1ccc(cc1)OC(OC2CCN(C)C(=O)N2c3nnc(C(C)(C)C)s3)=O	405
+CC(C)(C)c1nnc(s1)N2C(OC(Oc3cc(ccc3)[N+]([O-])=O)=O)CCN(C)C2=O	405
+CC(C)(C)c1oc(cc1)C2C(C2)C(=O)O	3
+CC(C)(C)c1oc(C2C(C(OCC)=O)C2)cc1	7704
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(n3)C4CCN(CC4)C(=O)OC(C)(C)C)n2)o1	7705
+CC(C)(C)c1onc(NS(=O)(=O)c2ccccc2)c1Br	2165
+CC(C)(C)c1ccc(C=C)s1	7706
+CC(C)(C)c1sc(nn1)N=C=O	775
+CC(C)(C)c1nc(c(s1)-c2nc(N)ncc2)-c3c(c(N)ccc3)F	911
+CC(C)(C)c1sc(c(-c2c(c(ccc2)NS(=O)(=O)c3c(F)ccc(c3)F)F)n1)-c4nc(ncc4)Cl	69
+CC(C)(C)c1nc(-c2c(c(ccc2)NS(=O)(=O)c3c(cccc3F)F)F)c(s1)-c4nc(ncc4)NCC(C)O	96
+CC(C)(C)c1ccc(C2CC2C(=O)N3CC(C)OC(C)C3)s1	58
+CC(C)(C)c1ccc(s1)S(=O)(=O)Nc2c(c(nc(-c3ncccn3)n2)OC)Oc4c(cccc4)OC	2878
+CC(C)(C)c1nnc(NC(=O)N(CCC=O)C)s1	1110
+CC(C)(C)c1sc2c(n1)cc(N3CCC(CC3)C)c(N=C=S)c2	333
+CC(C)(C)c1sc2c(n1)cc(N3CCN(CC3)C)c(c2)N=C=S	333
+CC(C)(C)c1sc2cc(c(N3CC(CCC3)C)cc2n1)[N+]([O-])=O	1998
+CC(C)(C)c1nc2cc(N3CCCC(C)C3)c(N)cc2s1	0
+CC(C)(C)n1c(cc(C=NO)n1)-c2ccc(cc2)F	688
+CC(C)(C)n1c2c(cc(Br)cc2)nc1-c3c(-c4nn(nn4)C)cccc3	1694
+CC(C)(C)n1c2c(CC(C(=O)O)(C)CC2)c(n1)-c3ccncc3	4
+CC(C)(C)n1nc(-c2cc(C(N)=O)sc2)c3c1ccnc3O	104
+CC(C)(C)n1c2c(c(OC)ncc2)c(-c3csc(C(N)=O)c3)n1	7707
+CC(C)(C)n1c2ccc(cc2nc1-c3ccccc3-c4nn(nn4)C)-c5cnc(nc5)N	7708
+CC(C)(C)n1c2nc(ncc2cc1)NC(c3ccc(cc3)C)=O	2879
+CC(C)(C)n1c(nc2cc(ccc12)Br)-c3ccccc3-c4[nH]nnn4	424
+CC(C)(C)n1c2c(c(OC)ncc2)c(-c3csc(c3)C(=O)O)n1	1
+CC(C)(C)n1cc(C(NCCN(C)C)=O)c2cnc(nc12)NC(c3ccc(cc3)C)=O	7709
+CC(C)(C)n1c2nc(ncc2c(c1)I)NC(c3ccc(cc3)C)=O	1996
+CCOC(c1c(Cl)n[nH]c1)=O	7710
+CC(C)(C)n1c2CCC(Cc2c(-c3ccncc3)n1)(C)C(OC)=O	1389
+CC(C)(C)n1nc(cc1N=C2c3ccccc3C(=O)N(c4ccc(cc4)Cl)N2)C	7711
+CC(C)(C)n1nc(CN)cc1-c2ccc(cc2)N3CCCCC3	2880
+CC(C)(C)n1nc(C=NO)cc1-c2ccc(cc2)N3CCCCC3	688
+CC(C)(C)n1c(CC(C)C)cc(C=O)n1	178
+CC(C)(C)n1c(-c2ccc(cc2)F)cc(n1)C=O	1406
+CC(C)(C)n1nc(C=O)cc1-c2ccc(cc2)N3CCCCC3	1406
+C1CN(CCC1)c2ccc(cc2)N3C(=O)c4ccccc4C(=N3)Nc5cc(C)n[nH]5	7712
+CC(C)(C)n1c(Cl)c(C(=O)O)cn1	6
+CC(C)(C=1C(C(=C(C)C(=O)C=1C)C)=O)CC(=O)OCCCCO[N+](=O)[O-]	456
+C1CC(CCC1NC(c2ccc(-c3cccc(c3)F)nc2)=O)C(C)(C)O	56
+CC(C)(c1c(Cl)cc(c(c1)C=O)OC)C=C	146
+c1cc(ccc1C(C)(C)CCO)-c2ccco2	347
+CC(C)(CO)CCC#N	237
+c1cc(ccc1)[Si](c2ccccc2)(OCC(C)(C)C=O)C(C)(C)C	328
+CC(C)(C=C)c1cc(c(OC)cc1Cl)Br	4278
+CC(C)(C(O)C)c1cc(Br)c(F)cc1	7713
+CC(C)(CCNCCC)O	15
+c1ccc2c(C(=O)N(C2=O)C(C)(C)CC(NCc3c(OCC(OCC)=O)cccn3)=O)c1	9
+c1ccccc1COC(NC(C)(C)CCOC)=O	21
+CC(C)(c1ccc(C)o1)CC(=O)O	4
+CC(C)(CC1OCCO1)CC(=O)OCC	2881
+FC(F)(F)C(CC(C)(C)Cc1cc(Cl)ccc1)(O)C(OCC)=O	4279
+CC(C)(CC(C(OCC)=O)=O)c1cccc(F)c1	4280
+FC(F)(F)C(O)(C(OCC)=O)CC(C)(C)c1cc(F)ccc1	4279
+CC(C)(Cc1n(nc(C(=O)OCC)c1)CCCC)O	4281
+CC(C)(CC(=O)O)N1C(c2ccccc2C1=O)=O	672
+CC(C)(CC(OC)=O)O	325
+CC(C)(CC(=O)NCCC)O	248
+CC1(C)C(C)(C)OB(O1)c2cc(C(C)(C)CC(OC)=O)ccc2OC	372
+CC(C)(c1ccc(cc1)C(Nc2nc3cc(C)nn3c(-c4ccccc4)c2)=O)CC(=O)O	4
+CC(C)(CC)C(=O)C(=O)N1C(C#N)CCC1	143
+CC(C)(CC)C(C(=O)N1CCCC1C(=O)O)=O	4
+CC(C)(CC)C(=O)C(N1CCCC1C(N)=O)=O	83
+C1COCCC1Cn2c(C(C)(C)CC)nc3cc(ccc23)NC(=O)C	1264
+c1cc(ccc1CC(O)(c2nc(cn2S(=O)(=O)N(C)C)CC(C)(C)CC)C)-c3c(cccc3)SC	11
+CC(C)(CC)N=C(NC#N)Nc1cc(cc(N=[N+]=[N-])c1)I	7714
+CC(C)(N=NC(Cl)(CCC(OCCCC)=O)C)CC	7715
+CC(C)(CC)c1cc(cc(c1O)[N+]([O-])=O)-c2cccc(C=C3SC(NC3=O)=S)c2	1149
+CC(C)(CC)c1ccc(OCC(=O)Nc2ccc(cc2)Nc3cc(ccc3)O)c(C(C)(C)CC)c1	26
+CC(C)(CC)c1ccc(OC(C(=O)Nc2cc(O)c(cc2)NC(=O)C(F)(F)C(Cl)F)CC)c(c1)C(C)(C)CC	26
+CC(C)(CC)c1ccc(Oc2c(C(=O)O)cc(O)cc2)c(C(C)(C)CC)c1	5
+CC(C)(c1c(c(cc(-c2cccc(c2)CC3SC(NC3=O)=S)c1)[N+]([O-])=O)O)CC	7716
+CC(C)(CC)c1c(O)c([N+]([O-])=O)cc(-c2cccc(C=O)c2)c1	2166
+CC(C)(c1cc(N)c(cc1)[N+](=O)[O-])CC	7717
+CC(C)(CC)c1cc(C(C)(C)CC)c(cc1)Oc2ccc(cc2C(Nc3ccccc3)=O)O	67
+CC(C)(c1ccc(NC(C)=O)c([N+]([O-])=O)c1)CC	77
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3C(OC(CC3)(c4ccccc4)CC(C)(C)C#N)=O	17
+CC(C)(CC1NC(OC1)=O)F	1138
+CC(C)(F)CC(CO)N	886
+CC(C)(CCO)CC1OCCO1	44
+CC(C)(CC=O)CC=C	2359
+CC(C)(CC=C)CCOC(c1ccc(cc1)[N+](=O)[O-])=O	279
+CC(C)(CC=C)CCO	237
+c1cc(ccc1)COC(=O)CC(C)(C)COS(=O)(=O)CCCNC(C)=O	4282
+CC1(C)OC2C(C(n3cnc4c(N)ncnc34)OC2CN(C)CCC(C)(C)NC(=O)OCc5ccccc5)O1	61
+CC(C)(NC(=O)OCc1ccc(cc1)[N+]([O-])=O)CCCO	647
+c1cc(ccc1)COC(CCC(C)(C)C(O)=O)=O	1699
+CC(C)(CCC(=O)O)NC(=O)OCc1ccc(cc1)[N+]([O-])=O	2167
+CC(C)(CCC)C(N)=O	2168
+CC(C)(CC(O)=O)CCC	3
+CC(C)(CCCC(CC=CC(C)=CCO)C)OC	4283
+c1cc(ccc1C(C)(C)CCCC)CC(CCl)C	2753
+CC(C)(CCCCC(O)=O)COC1CCCCO1	459
+CC(C)(O)CCCCN1C(=O)c2n(CC(O)CO)cnc2N(C)C1=O	2386
+CC(C)(CCCCOCCCCI)C(=O)OCC	363
+CC(C)(C(O)=O)CCCCOc1ccc(c(c1CCC)O)C(C)=O	4
+CC1(C)CCCc2c1ccc(Br)c2	957
+CC(C)(CCCl)COC1CCCCO1	219
+CC(C)(CCN1C(=O)c2ccccc2C1=O)COC3CCCCO3	851
+CC(C)(CCNc1nc(-c2n3ccnc(C)c3nc2-c4ccc(F)cc4F)ccn1)O	435
+c1cc(ccc1)C#Cc2ncc(nc2)NCCC(C)(C)O	941
+CC(C)(O)CCNc1nn2c(cc1)ncc2Br	7718
+CC(C)(CCN)COC1CCCCO1	45
+O=S1(=O)NC(=Nc2ccc(cc12)NS(=O)(=O)C)C=3C(N(CCC(C)(C)CC)N=C(C=3O)c4cccs4)=O	7719
+O=S(=O)(C)OCCC(C)(C)CC1OCCO1	7
+CC(C)(n1ncc(-c2ncnc3c2cc[nH]3)c1)CCOS(=O)(=O)C	7
+c1cc(ccc1N2C(CC3CN(CC3)C(=O)C4CC4)=NN(CC(C)(C)O)C2=O)-c5ccc6occc6c5	4284
+CC(C)(C(C(n1cncn1)Oc2ccc(Cl)cc2Cl)=O)CF	7720
+CC(C)(NC(=O)c1nn(c2C3CC3Cc12)-c4nccc(Cl)c4)CF	81
+CC(C)(CN(C)C)CN1C(C(OC(c2c1ccc(c2)Cl)c3c4ccccc4ccc3)CC(N)=O)=O	83
+CC(C)(CN(C)C)CN1C(=O)C(CC(=O)O)OC(c2c1ccc(c2)Cl)c3c4ccccc4ccc3	3
+CC(C)(CN(c1nc(ccc1)OC2CN(C2)c3ccc(cc3)C(NC(C)=O)C)C)O	640
+CC(C)(CN)CNc1cc(-c2c3cccnc3[nH]c2)cc(Cl)n1	70
+O=S(=O)(NCC(C)(C)CNc1nc(Cl)cc(-c2c3c(nccc3)[nH]c2)c1)c4cnccc4	1362
+FC(F)(F)C(=O)NCC(C)(C)Cc1cccc(Br)c1	605
+FC(F)(F)Oc1ccc(cc1)NC(c2c(Cl)cc(NCC(C)(C)O)c(c2)[N+](=O)[O-])=O	60
+FC(F)(F)c1nc2n(c1CC3CCC(CC3)(F)F)c(cc(C(=O)NCC(C)(C)O)c2)Cl	14
+CC(C)(O)CNC(c1ccc(Cn2c(c(c(n2)C)-c3cc(c(C#N)cc3)Cl)C)cn1)=O	81
+O=S(=O)(C)c1ccc(Oc2cc3cc([nH]c3c(OC)c2)C=4SC(CC(NCC(C)(C)O)=O)CN=4)cn1	9
+CC(C)(O)CNc1c2ccc(cc2ncc1[N+]([O-])=O)Br	105
+c1cc(ccc1)-n2c(cc(C(NCC(C)(C)O)=O)n2)NC(=O)c3c(Cl)cc(Cl)c(c3)-c4ccccn4	81
+CC(C)(CN1C(c2cc(Cc3ccc(cc3)-n4nccc4)c(C)c(C)c2C1)=O)O	7721
+c1cc(ccc1)N2C(C(C(O)=O)=C(N2CC(C)(C)O)C)=O	2882
+CC(C)(CN(C)C)CN1c2ccc(cc2C(OC(CC(OCC)=O)C1=O)c3cccc4ccccc34)Cl	61
+CC(C)(CN1c2c(cc(Cl)cc2)C(OC(CC(N)=S)C1=O)c3c(OC)c(ccc3)OC)COC(=O)C	199
+C1CC1NC(c2cc(F)c(c(-c3ccc4C(N(CC(C)(C)CO)C=C(c4c3)C=O)=O)c2)C)=O	99
+CC(C)(CN1CCC(CC1)CNC(c2c3n(cc(CC)n3)c(N)c(Cl)c2)=O)OC	7722
+CC(C)(CN1C(C(CC(OCC)=O)OC(c2cccc3ccccc23)c4c1ccc(c4)Cl)=O)C=O	24
+CC(C)(CN1C(C(OC(c2cc(Cl)ccc12)c3cccc(c3OC)OC)CC(N)=O)=O)COC(=O)C	83
+CC(C)(COC(=O)C)CN1C(=O)C(OC(c2cccc(c2OC)OC)c3c1ccc(Cl)c3)Cc4sc(cn4)C(OCC)=O	7723
+CC(C)(CNC(=O)c1nc(c2cc(ccc2c1O)Oc3cc4ccccc4cc3)C#N)C(=O)O	3
+CC(C)(Cn1c2c(nc1COCC)cnc3cc(cnc23)Br)O	7724
+CC(C)(C(NCc1cccc(OC)c1)=O)COc2c(c(N)ccc2)C#N	57
+CC(C)(C(OC)=O)COc1ccc(cc1)OC	20
+O=S(=O)(CCCNC(C)=O)OCC(C)(C)C(=O)OCC	7
+O=S(=O)(CCCNC(C)=O)OCC(C)(C)CC=C	7
+C[Si](C)(C)CCOCn1c2c(c(c1)C(=O)NCC(C)(C)CO)nc(-c3c4ccc(cc4n(C)n3)F)cn2	484
+C[Si](C)(C)CCOCn1c2c(nc(cn2)Br)c(C(=O)NCC(C)(C)CO)c1	484
+c1ccccc1COC(=O)NCC(C)(C)CO	101
+c1ccccc1[Si](c2ccccc2)(OCC(C)(C)CN)C(C)(C)C	328
+CC(C)(CO)COC1OCCCC1	219
+c1cc(ccc1Cl)C2(OCC(C)(C)CO2)CSCC(OCC)=O	4285
+c1cc(ccc1C2(OCC(C)(C)CO2)CSCC(OCC)=O)C	4285
+c1cc(ccc1)COCC(C)(C)CO	149
+CC(C)(COC1COCC1)C=O	24
+CC(C)(C=O)COC1OCCCC1	24
+CC(C)(NC(C(Oc1ccc2c(cc(Br)cn2)c1)SC)=O)C=O	24
+O=S(=O)(C(C)(C)CO)CCNC(=O)C1=Cc2c(ncnc2Nc3ccc(Oc4cnc(cc4)C)c(C)c3)NCC1	7725
+CC(C)(c1[nH]c2c(cc(cc2)N)c1)CO	0
+c1cc(ccc1F)C(C)(C)C=O	24
+CC(C)(c1n(CC(O)CO)c2cc(F)c(cc2c1)NC(=O)C3(CC3)c4cc5OC(F)(F)Oc5cc4)CO	265
+CC(C)(CO)n1ncc(N)c1	209
+O=S(=O)(OCC(C)(C)n1ncc([N+]([O-])=O)c1)C	7
+CC(C)(CO)n1ncc(c1)Nc2nc(N3C(C(C4CC4)(CN)CC3)=O)ccn2	3844
+CC(C)(C1Cc2c(cc(OC)c(c2)OCCOCC)C3=CC(C(C(O)=O)=CN13)=O)COC	108
+CC(C)(COC)C1Cc2c(C3=CC(C(=CN13)C(OCC)=O)=O)cc(OC)c(OCCOCC)c2	8
+CC(C)(C1Cc2cc(c(cc2C3=CC(C(C(O)=O)=CN13)=O)OC)OCCC4CCCN4C)COC	108
+CC(C)(CCCCC#N)COC1CCCCO1	830
+CC(C)(CO)COC1CCOC1	95
+CC(C)(C#C)COC1CCOC1	1596
+CC(C)(COc1ccc(cc1)OC)C=O	24
+c1cc(ccc1S(=O)(=O)OCC(C)(C)CS(=O)(=O)N)C	36
+c1cc(ccc1)C2(C(C(C(c3[nH]c4cc(ccc4c3CC(C)(C)NC(=O)C)C)c5ccccc5)=C2O)=O)C	2883
+CC(C)(CC(C(=O)OCC)=O)Cc1cc(Cl)ccc1	4280
+CC(C)(Cc1cc2c(OCO2)cc1)N	157
+CC(C)(NC(CCl)=O)Cc1cc(Br)ccc1	4286
+CC(C)(Cc1n(nc(c1)C(=O)N)CCCC)O	314
+c1cc(ccc1OC(C)(C)C#C)S(=O)(=O)N(C)C	7726
+CC1(C)CCC(C)(C)c2c(O)cc(cc12)Br	1204
+CC1(C)c2cc(Br)c(cc2C(C)(C)CC1)C	1204
+CC1(C)c2c(ccc(O)c2)C(C)(C)CC1	1204
+CC1(C)c2ccc(OC)cc2C(C)(C)CC1	1204
+CC1(C)c2c(ccc(c2)CCCCCC)C(C)(C)CC1	1204
+CC1(C)CCC(C)(C)c2c1cc(CCCO)cc2	1204
+CC(C)(Cn1c2c(c(N)nc3cccnc23)nc1CO)F	59
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c(nc3cc(ccc3c12)OCc4ccccc4)N	445
+CC(C)(O)Cn1c(nc2c(N)nc3c(ncc(c3)-c4cc(ccc4)CO)c12)CO	665
+C1(c2ccccc2C(=O)N1OCc3nc4c(N)nc5ccccc5c4n3CC(C)(C)O)=O	7727
+CC(C)(O)Cn1c(nc2c(nc3ccccc3c12)N)CN4C(c5c(C4=O)cccc5)=O	2884
+CC(C)(Cn1c(nc2c(N)nc3c(ncc(-c4cccc(CO)c4)c3)c12)COCC)O	1151
+CC(C)(O)Cn1c2c(nc1COCC)c(N)nc3c2ncc(-c4cnc(cc4)F)c3	7728
+CC(C)(Cn1c(nc2c(N)nc3ccccc3c12)CCl)O	461
+c12c(C(=O)N(C1=O)Cc3n(CC(C)(C)O)c4c5c(cccn5)ncc4n3)cccc2	2884
+CC(C)(O)Cn1c2c(nc1CNC(C)=O)cnc3c2nccc3	68
+CC(C)(Cn1c(nc2c(nc3cc(cnc3c12)Br)N)COCC)O	461
+CC(C)(O)Cn1c2c3c([n+]([O-])c(c2nc1COCC)N)cccc3	2885
+CC(C)n1ncnc1-c2cn3c(-c4c(OCC3)cc(cc4)-c5cn(cn5)CC(C)(C)O)n2	1715
+CC(C)(Cn1c(COC(C)=O)nc2c1c3ncccc3nc2N)F	7729
+CC(C)(F)Cn1c2c(nc1COC(C)=O)c[n+]([O-])c3cccnc23	4287
+CC(C)(F)Cn1c(nc2c([n+](c3cccnc3c12)[O-])N)COC(C)=O	574
+CC(C)(c1nnc2ccc(F)cn12)N(C)C	757
+c1cc(ccc1F)-n2c3ccc(C#CC(C)(C)N(CCO)CC)cc3cc2	1247
+CC(C)(Nc1nc(Cl)c(c(n1)Cl)C#N)C#N	96
+CC(C)(C#N)NC(=O)C(CC)Oc1cc2c(cc1)ccc(OCC)c2	9
+FC(F)(F)c1cc2C(C)(C)CC(c3cccc(c3)NC(C)(C)C(O)=O)N(C)c2cc1	2012
+FC1(F)CN(C1)c2c(nc(C(NC(C)(C)CC(OCC)=O)=O)cc2)OCC3CC3	81
+CC(C)(NC(=O)C(CC)Oc1ccc2c(c1)cc(cn2)I)CCF	9
+CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3c(-c4ccc(cc4OCC3)C(=O)NCC(C)(C)N)s2)c(Cl)c1	14
+CC(C)(CNC(c1n2c(c(cc(C)c2)OCc3c(ccc(c3F)F)F)nc1C)=O)N	312
+c1cc(ccc1)-c2cc3c(cc2)c(NCC(C)(C)N)c([N+]([O-])=O)cn3	105
+CC(C)(N)CNc1cc(cc2c1ccnc2)-c3ccncc3	250
+CC(C)(CNc1ccc(C#N)cn1)N	70
+c1ccccc1COc2ccc3c(c([N+]([O-])=O)cnc3c2)NCC(C)(C)N	105
+FC(F)(F)c1ccc(cc1)C=2OCC(C)(C)N=2	4288
+c12c(cccc1)C(=O)N(C2=O)C(C)(C)CO	672
+CC1(C)COC(=N1)c2c(c(OCC)no2)C	7730
+CC(C)(Nc1scc(n1)-c2ccc(Br)cc2F)CO	4289
+c1c(OC)c(c(cc1C2=NC(C)(C)CO2)OC)Br	4288
+CC(C)(CO)NC(=O)C(Oc1ccc2c(cc(Br)cn2)c1)SC	9
+c1cc(ccc1-c2ccccc2)Cn3cc4c(n3)NC(=NC(C)(C)CO)N(C4=O)C	7731
+c1cc(ccc1C(=O)OC)C(NC(C)(C)CO)=O	14
+c1cc(ccc1F)-n2c(COc3cnc(C(NC(C)(C)CO)=O)cn3)c(C)nn2	312
+c1cc(ccc1F)-n2nnc(C)c2COc3ccc(C(NC(C)(C)CO)=O)cn3	56
+CC(C)(N)CSc1nnc(cc1)Cl	1929
+CC(C)(CSc1ccc(Cl)nn1)NCC(O)COc2c(CCOC)cccc2	122
+c1c(F)c(c(cc1C=CC(=O)OC)F)C2NC(C)(C)Cc3c4c(cccc4)[nH]c23	7732
+CC(C)(c1ccc2c(cco2)c1)NC(Nc3ccc(cc3)-c4cc(C)ncc4)=O	2595
+c1ccccc1C(C)(C)N2C(c3c(c(c(F)cc3I)Cl)C2O)=O	184
+Ic1cc(F)c(Cl)c2CNC(c12)=O	7733
+C1CC1NC(=O)c2cc(c(c(c2)N3C=CNC(C3=O)=NC(C)(C)c4ccccc4SCCCl)C)F	1518
+CC(C)(NC(C(COC)Oc1ccc2c(c1)scn2)=O)C#CC	3842
+CC(C)(c1ncccc1)NC(=O)N(CC)O	2674
+CC(C)(NC(=O)N(OCc1ccccc1)CC)c2ccccn2	7734
+CC(C)(CCCOS(=O)(=O)c1ccc(cc1)C)NC(=O)OCc2ccc(cc2)[N+]([O-])=O	36
+CC(C)(CC=O)NC(OCc1ccccc1)=O	24
+CC1(C)N=C(C(C)Br)OC1=O	7735
+CC(C)(NC(C(Oc1ccc2ccc(cc2c1)C)CC)=O)COC	3265
+CC(C)(NC(C(SC)Oc1ccc2c(cc(Br)cn2)c1)=O)C=NOCCCC	410
+CC(C)(Cc1cc(Br)ccc1)N	2886
+CC(C)(NCCC=C)CN	51
+CC(C)(CNC(c1ccc(c(Cl)c1)Cl)=O)NCCC=C	93
+CC(C)(NS(=O)(=O)C)CNc1c(cnc2cc(ccc12)OCc3ccccc3)N	13
+c1ccccc1COc2ccc3c(ncc4nc(n(CC(C)(C)NS(=O)(=O)C)c34)COCC)c2	546
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c(N)nc3c(ccc(OCC#Cc4cccs4)c3)c12	1990
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c1c3ccc(cc3nc2N)O	16
+CC(C)(Nc1nc(NCC)c(C#N)c(Cl)n1)C#N	40
+CC(C)(Nc1nc(NCC)c(c(n1)OC)C#N)C#N	145
+CC1(C)N(c2scc(-c3c(F)cc(cc3)Br)n2)C(OC1)=O	7736
+CC(C)(c1nn2ccccc2c1C(OCC)=O)O	2169
+C#Cc1c(C)ncc(N)c1	2110
+c1(ccc(C#C)c(c1F)F)F	2110
+CC(C)(C(C)NS(=O)(=O)c1ccc(cc1)Br)O	71
+CC(C)(C(Oc1c(cnc(Cl)n1)I)C)OC2OCCCC2	1646
+CC(C)(C1C(N(CC1)c2c(c(Cl)c(cc2)C#N)C#N)C)O	1191
+CC(C)(O)C1C(C)N(CC1)c2cc(F)c(c(Cl)c2C#N)C#N	7737
+CC(C)(O)CCCC(C)C1CCCC2C(=O)CCCC12C	86
+C[Si](C)(C)OC(C)(C)CCCC(C)C1CCCC2C(=O)CCCC12C	19
+c1cc(ccc1CN)-c2n3nc(NCCC(C)(C)O)ccc3nc2	1414
+CC(C)(O)CN1CCC(CC1)(C#N)c2ccc(cn2)N	3983
+CC(C)(Cn1c2c(nc1CCC)cnc3c2ccc(Br)c3)O	730
+CC(C)(O)CNc1c(N)cnc2cc(ccc12)Br	13
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)OCC(C)(C)O)OC	17
+CC(C)(O)COc1c(cc(N2C(C=C(OCc3ccc(cc3)Cl)N=C2)=O)cc1)OC	7738
+CC(C)(O)COc1c(OC)cc(cc1)N2C=NC(=CC2=O)C3C(c4ccccc4)C3	7739
+C[Si](C)(C)CCOCOC(C)(C)COc1ccc([N+]([O-])=O)cc1OC	433
+CC(C)(O)COc1c(OC)cc(cc1)N2C(=O)C=C(N=C2)Cl	7740
+CC(C)(Cn1c2c3c(cccc3)[n+](cc2nc1COCC)[O-])O	359
+CC(C)(Cn1c2c3c(cccc3)nc(N)c2nc1CN)O	45
+CC(C)(O)Cn1c2c3c([n+]([O-])cc2nc1COC(C)=O)cc(cc3)OCc4ccccc4	359
+CC(C)(Cn1c(CNC(C)=O)nc2c(N)nc3c(nccc3)c12)O	461
+CC(C)(Cn1c(COCC)nc2c(nc3c(cccc3)c12)N)O	445
+c1ccccc1COc2ccc3c([n+]([O-])c(N)c4c3n(c(n4)COC(C)=O)CC(C)(C)O)c2	574
+CC(C)(C)[Si](C)(C)OC(C)(C)Cn1cc(nc1)I	655
+FC(F)(F)Oc1cc(c(cc1)OC=2C=NN(C(=O)C=2)C(CC3CCCCC3)C(Nc4ccn(n4)CC(C)(C)O)=O)Cl	142
+O=S(=O)(C)c1c(C)cc(cc1)C(C(Nc2nn(cc2)CC(C)(C)O)=O)CC3CC(CC3)=O	142
+C1CCCC1CC(C(=O)Nc2nn(cc2)CC(C)(C)O)N3N=CC(=CC3=O)Oc4ccc(cc4)OC	142
+CC(C)(O)Cn1ccc(N)n1	161
+CC(C)(C)[Si](C)(C)OC(C)(C)Cn1c2ccc(Oc3c(cc(cc3)F)C#N)cc2cn1	655
+CC(C)(c1c(c2n(n1)cccc2)C=O)O	576
+CC1(C)OC(=O)Nc2ccc(cc12)Br	7741
+CC(C)c1c(O)ccc(c1)OC	564
+CC(C)(O)c1c2ncc(-c3ccnc(NC4CCC(CC4)C(=O)O)n3)n2ccc1	3
+CC(C)(O)c1c2n(c(cn2)-c3ccnc(n3)S(C)=O)ccc1	172
+c1(cc(cc(F)c1-c2sc(Nc3ccc(-c4cnn[nH]4)c(n3)C)c(c2)C(=O)N)C(C)(C)O)F	4290
+c1(cc(cc(F)c1-c2cc(C(=O)N)c(s2)Nc3nc(-c4cn(C)nn4)ccc3)C(C)(C)O)F	2461
+c1(cc(cc(F)c1-c2sc(Nc3nc(ccc3)Cn4nncc4C(OC)=O)c(c2)C(=O)N)C(C)(C)O)F	2461
+c1cc(ccc1S(=O)(=O)N2CCOCC2)Nc3c(C(N)=O)cc(s3)-c4c(cc(cc4F)C(C)(C)O)F	2170
+c1(cc(cc(F)c1-c2sc(Nc3ccc4c(n3)nsn4)c(c2)C(=O)N)C(C)(C)O)F	4290
+CC(C)(c1cncc(c1)C(=O)O)O	1
+C[Si](C)(C)C#Cc1ncc(cc1)C(C)(C)O	961
+C[Si](C)(C)CCOCOC(C)(C)c1cnc(cc1)Br	433
+CC(C)(O)c1ccc2C(N(c3c(c(Br)ccc3)CO)CCc2c1)=O	41
+CC(C)(O)c1ccc2c3c([nH]c2c1)c(C(N)=O)ccc3-c4c(C)c(N5C(=O)N6C=CC=C(Cl)C6=CC5=O)ccc4	492
+CC(C)(c1cc2[nH]c3c(c(-c4c(C)c(N5C(c6cc(cc(F)c6NC5=O)F)=O)ccc4)c(cc3C(=O)N)Cl)c2cc1)O	492
+CC(C)(c1cc2[nH]c3c(c(-c4cccc(N5C(=O)N(C)c6c(ccc(c6)OC)C5=O)c4C)c(cc3C(=O)N)Cl)c2cc1)O	492
+CC(C)(c1cc2[nH]c3c(c(-c4cccc(c4C)N5C(N(C)c6c(ccc(F)c6)C5=O)=O)c(cc3C(=O)N)Cl)c2cc1)O	492
+CC(C)(c1cccc(N)n1)O	1380
+CC(C)(c1cccc(C)c1N)OCC	1515
+CC(C)(O)c1nc(Nc2cc(nnc2C(=O)N)Cl)ccc1	314
+CC(C)(c1ccc(cn1)-c2c(C)ccc(c2)N)O	156
+CC(C)(OC(c1cc(N=C=O)ccc1Cl)=O)C(OCC)=O	1044
+FC(F)(F)C=1NC(=O)N(C(=O)C=1)c2ccc(Cl)c(C(=O)OC(C)(C)C(OCC)=O)c2	2375
+OB(O)c1cc(cnc1)C(C)(C)OC	2028
+C1C(CC1N2c3n(ncn3)C(CCC)=C(C2=O)Cc4ccc(cc4)-c5ccccc5C#N)OCC(C)(C)O	665
+CC(C)(OCC)c1c(CC2CCC(CC2)(F)F)n3c(n1)cc(cc3C)C(=O)O	329
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc(C)c(cc2OC)OC(C)(C)C(=O)OC	262
+CC(C)(C(OCC)=O)Oc1cccc(CN)c1	107
+CC(C)(Oc1cc(C)c(cc1C)S)C(=O)OC	1180
+FC(F)(F)c1ccc(cc1)-c2ccc(nn2)COc3ccc(OC(C)(C)C(OCC)=O)c(c3)C	20
+FC(F)(F)c1ncc(cc1)-c2nc(c(COc3ccc(c(C)c3)OC(C)(C)C(OCC)=O)cn2)CCOC	2171
+FC(F)(F)c1ccc(cc1)-c2csc(NCCOc3ccc(c(C)c3)OC(C)(C)C(OC)=O)n2	7742
+CC(C)(C(=O)O)Oc1cc2c(C(=O)OCc3ccccc3)c(C)[nH]c2cc1	3
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3cc(ccc3)OC(C)(C)C(OCC)=O)c2	20
+c1cc(ccc1)CC(CS(=O)(=O)C(C)(C)C(N)=O)C(=O)OCc2ccccc2	2168
+C1CCN(C1)CC(C)(C)S(=O)(=O)c2cc3sc(N)nc3cc2	902
+CC(C)(C(O)=O)Sc1cc2sc(N)nc2cc1	3
+CC(C)(Cc1ccc2c(c1)OCO2)[N+]([O-])=O	4244
+FC(F)(F)c1cccc(C(Nc2cc(c(cc2)OCC(C)(C)[N+](=O)[O-])-c3n(ncc3Cl)C)=O)c1	262
+CC(C)(Cc1c2c(c(ccc2)OCc3ccccc3)[nH]c1)N	157
+CC1(C)C(C)(C)OB(O1)c2c(C(C)(C)OCOCC)ccc(C)c2	17
+CC[Si](CC)(CC)C#Cc1c(C(C)(C)C(N)=O)cccc1	263
+CC(C)(O)c1c(NC(=O)C)cccc1OC	26
+C(c1ccc(Cl)c(CO)c1)NC(CC)=O	2696
+CC(C)(c1c(Br)cccc1)C(=O)N	645
+CC(C)(c1c(cccc1)OCc2ccccc2)N=C3C(=O)N(c4cc(ccc4C)C(=O)OC)C=C(Br)N3	7743
+CC(C)(c1nnc(nc1Cl)-c2c3ccc(C)nc3n(n2)Cc4c(F)c(F)ccc4)C(=O)OC	7744
+CC(C)(CC(=O)Cc1ccc(C#N)cc1Cl)c2c3c(CCO3)ccc2	86
+CC(C)(c1c2c(ccc1)CCO2)CC=O	378
+CC(C)(c1c2c(CCO2)ccc1)CC(N(OC)C)=O	164
+CC(C)(CN)c1c2ccccc2[nH]c1	51
+CC(C)(c1c2OCCc2ccc1)CC(Cc3ccc(C#N)cc3Cl)O	7745
+CC(C)(c1cccc(-c2ccnc3c2cn[nH]3)c1)CN	51
+CC1(C)C(C)(C)OB(O1)c2cccc(C(C)(C)C#N)c2	17
+c1cc(ccc1[N+](=O)[O-])Oc2ccc(C)c(NC(c3cccc(C(C)(C)C#N)c3)=O)c2	46
+CC(C)(c1cc(C(=O)Nc2cc(ccc2)N(c3nc4c(cn3)nc(N)s4)C)ccc1)C#N	2811
+CC(C)(c1cc(C(Nc2cc(NC(c3cc4nccnc4s3)=O)c(cc2)C#N)=O)ccc1)C#N	180
+CC(C)(c1cc(C(Nc2ccc(c([N+]([O-])=O)c2)C)=O)ccc1)C#N	67
+CC(C)(c1cc(C(Nc2ccc(c([N+]([O-])=O)c2)Br)=O)ccc1)C#N	67
+CC(C)(C#N)c1cccc(NC(Nc2ccc(c(c2)NC(c3sc4c(nccn4)c3)=O)C)=O)c1	4291
+CC(C)(c1cc(C(Nc2cc(Nc3ncc4nc(NC(C)=O)sc4n3)c(Cl)cc2F)=O)ccc1)C#N	67
+CC(C)(c1cc(C(=O)O)ccc1)C#N	1
+CC(C)(CC)c1cc(C(C)(C)CC)c(cc1)Oc2c(C(O)=O)cc(cc2)OC	1
+CC(C)(c1cc(C(=O)Nc2cc(N(C)c3nc(SC#N)c([N+]([O-])=O)cn3)ccc2)ccc1)C#N	4211
+CN(C)CCNc1cnc2c(sc(C(=O)Nc3c(ccc(NC(c4cc(C(C)(C)C#N)ccc4)=O)c3)C)c2)n1	464
+CC(C)(c1cccc(c1)C(Nc2cc(c(cc2)CC)Oc3ncc([N+]([O-])=O)cc3)=O)C#N	136
+CC(C)(c1cc(ccc1)C(Nc2ccc(c(c2)N)Br)=O)C#N	0
+CC(C)(c1cc(ccc1)C(Nc2cc(N)c(cc2)C)=O)C#N	0
+CC(C)(O)c1cc(F)c(CN)cc1	107
+CC(C)(C(=O)N=[N+]=[N-])c1cccc(c1)F	7746
+CC(C)(c1cc(c(cc1)N)N)CC	0
+CC(C)(O)c1cc(N)nc(C)c1	7747
+c1cc(ccc1F)-n2c(C(C)(C)c3cc(c(Cl)cc3)Cl)cnc2	7748
+CC(C)(C(C)=O)c1cc(c(F)cc1)OC	2555
+CC(C)(c1cc(ccc1)C(=O)Nc2cccc(Oc3c(cc(N)cc3)C#N)c2)C#N	0
+CC(C)(c1cc(ccc1)C(=O)Nc2cccc(Oc3c(c4c(cc3)nc(s4)N)C#N)c2)C#N	821
+CC(C)(c1cc(ccc1)C(=O)Nc2ccc(c(N3C=Nc4c(cccc4C3=O)Cl)c2)C)C#N	7749
+CC(C)(c1cc(ccc1)C(Nc2cc(Nc3ccc4c(c3)C(N(C)C(SC)=N4)=O)c(C)cc2)=O)C#N	230
+CC(C)(c1cc(ccc1)C(Nc2cc(ccc2)NC=O)=O)C#N	2887
+CC(C)(c1cc(C(Nc2cc(NC)ccc2)=O)ccc1)C#N	695
+CC(C)(c1cc(C(=O)Nc2ccc(c(c2)NC(c3cc4nccnc4s3)=O)Br)ccc1)C#N	864
+CC(C)(c1cc(F)ccc1)C(O)=O	4292
+CC(C)(OC)c1cncc(Br)c1	76
+CC(C)c1c(OC)cc2C(C)CCCc2c1	564
+CC(C)(C(=O)O)c1cc2c(c(O)c1)C3CC(CCC3C(C)(C)O2)O	100
+CC(C)(c1ccc2OCc3ncccc3C(=CCCN4CCC(N(Cc5ccc(cc5)Cl)CC(OC)=O)C4)c2c1)O	2000
+c1cc(ccc1Cl)NC2(CCN(CC2)CCC=C3c4c(OCc5ncccc35)ccc(C(C)(C)O)c4)C#N	2000
+CC(C)(CO)c1cc2c(ccc([N+](=O)[O-])c2)[nH]1	44
+CC(C)(c1sc2c(c(N3CCOCC3)nc(-c4cnc(nc4)N)n2)c1)OC	7750
+CC(C)(c1cc2c(ccc([N+](=O)[O-])c2)[nH]1)C(OCC)=O	31
+CC(C)(c1cc2cccnc2c(c1)-c3cccc(CC(c4ccc(cc4)SC)C(=O)c5ccccc5)c3)S(=O)(=O)C	155
+CC(C)(c1cc2cccnc2c(c1)-c3cccc(c3)CC(c4ccc(cc4)SC)C=O)S(=O)(=O)C	59
+CC(C)(c1cc2cccnc2c(-c3cc(ccc3)CC(C(c4ccccc4)O)c5ccc(cc5)SC)c1)S(=O)(=O)C	7751
+CC(C)(c1ccc(C)o1)CCO	21
+CC(C)(c1ccc(C)o1)CC=O	24
+CC(C)(C(=O)O)c1cc(c(cc1)F)OC	4
+CC(C)(c1c(C=C)cc(NC(c2cc(c(cc2)OC)OC)=O)cc1)C#N	50
+CC(C)(CC)c1ccc(N)c([N+](=O)[O-])c1	106
+CC(C)(C#N)c1ccc(c(C)c1)C(C)N	474
+c1cc(ccc1C(C)(C)C(=O)O)-c2cc(cnc2)COC	89
+c1cc(ccc1-c2cncc(C#N)c2)C(C)(C)C(=O)O	89
+CC(C)(c1ccc(cc1)CC(CO)C)CC	1028
+c1cc(ccc1C=C(C=O)C)C(C)(C)CC	1103
+c1cc(ccc1C(C)(C)COC)F	21
+c1cc(ccc1F)C(C)(C)CCC(=O)N(OC)C	978
+c1cc(ccc1OCC2COC(C)(C)O2)C(C)(C)c3ccc(cc3)OCC4CO4	267
+CC(C)(c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)c3ccncc3)Cl)CC	69
+CC(C)(c1ccc(nc1)C2CC2COc3nc(C)nc(Cl)c3)O	145
+CC(C)(c1ccc2OCc3ncccc3C(=CCCN4CC(N(CC(=O)O)Cc5ccc(cc5)Cl)CC4)c2c1)O	4
+C1CC2CCN1CC2NC(=O)NC(C)(C)c3cccc(-c4ccccc4)c3	11
+CC(C)(c1cc(C(=O)Nc2c(C)ccc(c2)O)ccc1)C#N	50
+CC(C)(c1cc(C(Nc2cc(c(cc2)CC)O)=O)ccc1)C#N	50
+CC(C)(c1cccc(C(=O)Nc2cccc(c2)[N+]([O-])=O)c1)C#N	50
+CC(C)(c1cc(ccc1)C(Nc2cc(N)ccc2)=O)C#N	0
+CC(C)(c1cccc(C(Nc2cc(Oc3ccc4c(sc(NC(C)=O)n4)c3)ccc2C)=O)c1)C#N	290
+CC(C)(C#N)c1cccc(OC)n1	430
+CC(C)(c1cc(ccc1)C(=O)Nc2cc(Oc3ccc([N+](=O)[O-])cc3C#N)ccc2)C#N	46
+CC(C)(c1cccc(c1)C(Nc2cc(Oc3nc4c(cc3)nc(NC(=O)CO)s4)c(CC)cc2)=O)C#N	948
+CC(C)(c1cccc(c1)C(Nc2ccc(c(Oc3ccc(N)cn3)c2)CC)=O)C#N	13
+CC(C)(c1cccc(c1)C(Nc2cc(Oc3ccc4c(sc(N)n4)n3)c(CC)cc2)=O)C#N	2153
+CC(C)(OC1CCCCO1)c2ccccc2Br	219
+CC(C)(OC1OCCCC1)c2c(cccc2)CCC(c3cc(ccc3)C=Cc4nc5c(ccc(Cl)c5)cc4)OS(=O)(=O)C	7
+CC(C)(C(N)=O)c1ccccc1CCc2c(Cl)cnc(Nc3cnn(c3)C)n2	486
+CC(C)(NC(=O)NOCc1ccccc1)c2ncccc2	7752
+c1cc(ccc1)C(=O)N=C2NC3(CN(c4nc(c(cn4)F)C(C)(C)O)CC3CS2)c5cnccn5	7753
+CC(C)(OCC)c1nc2cc(cc(n2c1CC3CCC(CC3)(F)F)C)C#N	481
+CC(C)(c1ncccc1Oc2cnc3c(cccc3c2)F)C#N	3984
+CC(C)(c1ncccc1Oc2cnc3c(cccc3c2)F)C(OCC)=O	2061
+CC(C)(c1ncccc1Oc2cnc3c(cccc3c2)F)C(O)=O	3
+CC(C)(O)c1c(c2n(cccc2)n1)CO	536
+CC(C)(c1nnc2ccc(OC3c4ccccc4C(CC3)N)cn12)N(C)C	870
+CC(C)(n1ncc(c1)-c2ncnc3c2cc[nH]3)CCC#N	300
+CC(C)(C)OC(C(CC(C)C)Br)=O	2173
+FC(F)(F)c1ccc2NC(CC(C)(C)c2c1)c3cc(Br)ccc3	1415
+CC(C)(C)OC1CN(C(C1)C(=O)OCc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3	7754
+CC1(C)c2c(c(cc(C#N)c2)C)NC(c3cccc(Br)c3)C1	1415
+CC1(C)c2c(NC(c3cc(Br)ccc3)C1)ccc(C(=O)OCC)c2	1415
+CC1(C)CC(Nc2c1cc(cc2)C(=O)OCC)c3cc(C#N)ccc3	1415
+CC1(C)CC(Nc2c1cc(cc2)C(OCC)=O)c3cc(C(OC)=O)ccc3	1415
+CC1(C)ON=C(C1)c2cc(c(Cl)nc2)Cl	7755
+CC(C)(C)OC(=O)c1ccc(C)c(c1)OC	2174
+CC(C)(C)OC(=O)c1ccc(cc1O)O	2174
+CC(C)(C)OC(=O)CC1C(=O)N(C(CC)C(OCC)=O)C(c2ccc(cc2)Cl)C(c3cc(Cl)ccc3)C1	2173
+CC(C)(C)OC(=O)C(C(C)C)NS(=O)(=O)c1ccc(cc1)F	2173
+CC(C)(C)Oc1ccc(cc1)Cc2n(C)nc(-c3c(cccc3Cl)F)n2	1658
+CC(C)(C)OC(=O)COCCOCCNC(=O)OCC1c2ccccc2-c3ccccc13	2173
+CC(C)(C)OC(=O)c1c(CCc2ccccc2NC(OCc3ccccc3)=O)cccc1	2174
+CC(C)=C(c1cc(ccc1-c2cc(ccc2F)OC)C(OC)=O)C	7756
+CC(C)=C(C(OC)=O)N1C(CC=C)C([N+]#[C-])C1=O	7757
+CC(C)=C(C(OC)=O)N1C(C(NC=O)C1CC=C)=O	7758
+c1ccccc1COC(=O)NC2C(=O)N(C2CC=C)C(=C(C)C)C(OC)=O	1403
+c1cc(ccc1)C(=O)c2c(O)cc(O)c(c2)C(C)(C)CC	7759
+CC(C)=CC(Nc1cc(C(C(=O)OCC)CCCCC)ccc1)=O	1966
+CC(C)=CC(=O)Nc1cccc(NC(C)=O)c1	1966
+CC(C)=CC(Oc1ccc(cc1)Br)=O	7760
+CC(C)=CC(=O)Nc1ccccc1C	1966
+CC1(C)c2ccc(NC(=O)C)cc2NC(C1)=O	1620
+CC1(C)CC(=O)Nc2c(cccc12)C	1620
+CC1(C)CC(=O)c2c(cc(OC)cc2)O1	4293
+CC(C)(c1cc(c(OC)cc1)OS(=O)(=O)C)CC(=O)O	4294
+c1cc(ccc1C(C)(C)CC(=O)O)OC	4294
+c1cc(ccc1NC(C=C(C)C)=O)F	7761
+CC1(C)CC(=O)Nc2cc(ccc12)C(C(=O)OCC)CCCCC	1620
+CC1(C)c2c(OC(=O)C1)ccc(Br)c2	7762
+CC(C)=CCn1c([N+]([O-])=O)nc(C)c1	7763
+CC(C)=CCOc1c(Cl)ccc(Nc2nc(N)ccn2)c1	2888
+CC(C)CCC(C(=O)OC)C(O)C	1101
+CC(C)=CCC(c1ccccc1)(C)CNC	110
+c1cc(ccc1)C(C)(CN(C)S(=O)(=O)c2ccccc2)CC=C(C)C	92
+CC(C)=CCC1OC1(C2C(CSCc3ccccc3CCl)(CCC(OC(=O)NC(=O)CCl)C2OC)O)C	7764
+CC(C)=CCC1OC1(C)C2C(C(CCC2(O)CSCc3ccccc3CCl)O)OC	438
+CC(C)=CCCC(=CCCC(=CCCC(C)=CCSCCNC(SC)=C[N+]([O-])=O)C)C	3468
+CC(C)=CCCC(=CCCC(=CCCC(C)=CCSCCNC(=C[N+](=O)[O-])NC)C)C	2063
+O=S(=O)(c1ccc(cc1)C)OCCCC=C(C)CCC=C(CCC=C(C)C)C	36
+CC(C)=CCCC(C)=CCCC(CC(OCC)=O)=O	7765
+CC(C)=CCCC(=CCCC(C)=CCCCO)C	95
+CC1(C)C(O1)CCC(=CCCC(=O)CC(=O)OCC)C	4295
+CC(C)=CCCC(CC(C(OCC)=O)=O)=O	1135
+CC(C)=CCCc1cc(n[nH]1)C(OCC)=O	2889
+CC(C)=CCCC(CC=CC(=CCOC)C)C	3890
+CC(C)=CCCC(C)CC=CC(C)=CCO	2569
+CC(C)=CCCC(CCOC(=O)CCC(=O)Cl)C	130
+CC1(C)OC1CCC2(C)CC2CO	4295
+c1cc(ccc1C(=O)CC2CC=C(CCC=C(C)C)CC2)OC	94
+CC(C)=CCCC=1CCC(CC=1)CCc2ccc(cc2)O	5
+CC(C)=CCCCCCOC	21
+CC(C)CCCCCCO	1101
+CC(C)=CCCCCCO	88
+CC(C)=CCCc1n[nH]c(C(=O)O)c1	6
+CC(C)(Cl)C(=NO)CCn1c([N+]([O-])=O)ncc1	4296
+c1cc(ccc1)C(Oc2cc(c(OCCCCOCC=C(C)C)c(CC)c2)C)=O	126
+CC(C)=CCOc1cc(O)c(cc1)C(=O)C=Cc2c(cccc2)CCCCCCC	307
+CC(C)=CCOc1ccc(C(=O)C=Cc2ccccc2CCCCCCC)c(OCC(OCC)=O)c1	52
+CC(C)(C(Cn1c(nc(C)c1)[N+]([O-])=O)=NO)Cl	4296
+CC(C)=Cc1cc(CN)ccc1	107
+c1ccccc1COc2cc(ON=C(C)C)c(C#N)cc2	2890
+CC(C)Nn1c(CCC)nc2c1c3ccc(Br)cc3nc2	4297
+CC(C)[SiH](C(C)C)c1c(C)cc(cc1C)OCCC(=O)O	2891
+CC(C)n1ncnc1-c2sc3c(-c4c(cc(cc4)C5CN(C5)C(C)(C)C#N)OCC3)n2	735
+CC1(C)Oc2c(C1)c(C)c(C)c(C=CC(=O)C)c2Cl	964
+CC(C)NC(CC)C(=O)OC	3794
+CC(C)=Cc1cc(ccc1)C#N	846
+Clc1c(Cl)ccc(c1OC)OC	7766
+c1cc(ccc1C2CCCCC2)C(N3c4c(cccc4)Cn5c(C(=O)O)ccc5C3)=O	2892
+Clc1cc(cc(Cl)c1Oc2cc(c(Cl)nn2)C(C)C)CC(O)=O	2891
+FC(F)(F)C(O)(c1cc2cnn(c2cc1)-c3ccc(cc3)F)c4c5ncnc(Cl)c5n(CC(CO)O)c4	7767
+FC(F)(F)c1cccc(-c2sc3c(n2)c(C(O)=O)ccn3)c1	4298
+CC(C)NCc1c([N+]([O-])=O)cccc1	87
+c12c(nc(SC)nc1)nc(C)cc2	7768
+CC(C)Nc1c(cc(c(C(OC)=O)c1)C)C#N	231
+Cc1cc2c([N+]([O-])=O)c(Cl)ccc2[nH]1	7769
+CC(C)Nc1ccn[nH]1	1270
+c1nc2N(C(N(C(=O)c2n1C)CCCC(CO)O)=O)C	1886
+COc1ccc(c(I)c1)C=CC(C)=O	964
+Cc1ccc(c(c1)C=CC(C)=O)F	964
+O=S(=O)(c1ccc(cc1)C)n2ccc3c(Cl)c(cnc23)C(=O)O	4298
+c1cc(ccc1)COC(N2C(CC(O)CO)CCCC2C(=O)OC)=O	1951
+c1ccccc1N(CC)CC(O)CO	1951
+c1cc(ccc1-n2c(c(nn2)C(=O)NC3CC3)CCC(CO)O)NC(NCC)=O	1951
+CC(C)NCCCCO	87
+CC1(C)Oc2cc(ccc2O1)C=O	2893
+OC(c1c(cc2OCOc2c1)[N+]([O-])=O)=O	1144
+C(c1cc2c(occ2CCNC(C)=O)cc1)(=O)O	1144
+O1c2c(OC1(C)C)cccc2	2893
+c1ccc2c(c1NC(C)=O)C(=O)CCCC2	3975
+CC(C)NCc1cc(ccc1)-c2cc(ccc2OC)[N+]([O-])=O	87
+CC1(C)CC(=O)c2cc(O)ccc2O1	2003
+CC(C)NC1CCCn2c3ccccc3c(C)c12	87
+CC(C)(O)c1ccc(nc1)Br	1239
+CC(C)(O)c1ncc(cc1)Br	938
+CC(C)(O)c1ccc(nc1)Br	7770
+c1cc(cc(C)c1OC)CCCC(=O)O	2891
+CC1(C)Oc2cc(ccc2C(=O)O1)O	7771
+c1cc(ccc1)C(=O)Oc2cc(C(O)=O)ccc2OC	1144
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCCC(=O)O	4299
+O=S(=O)(C(C(C)(C)O)c1cc(ccc1)OCc2ccccc2)NCc3c(cc(OC)cc3)OC	4300
+CC(C)Nc1ccc(cc1)C(C(=O)Nc2ccc(cc2)-c3cc(C)ncc3)C	231
+O1CC(COC1(C)C)c2ccc(cc2)OCc3ccccc3	1526
+c1cc(ccc1NC(C)C)C	231
+CC(C)N1CC2N(CCC2C1)c3ccc(cc3)-c4ccc(cc4)C#N	85
+c1cc(ccc1C#N)Oc2ccc(cc2)C(O)=O	1144
+c1cnccc1-c2cc3N(CCCC)C(C)(C)NC(c3s2)=O	4301
+CC(C)NC(c1ncc(-c2ccccc2)[nH]1)C	87
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCC(=O)O	4299
+c1ccccc1CC(NCCc2c3c(ccc2)ccc(C(=O)O)c3)=O	1144
+c1ccccc1CN2CCC(CC2)NC(C)C	87
+c1ccccc1COC(NC2CCN(C3CCC(NC(C)C)CC3NC(C)=O)C2=O)=O	87
+c1ccccc1COc2c(cc(C(O)=O)cc2F)OC	1144
+c1cc(ccc1)C(S(=O)(=O)NCc2c(cc(OC)cc2)OC)C(C)(C)O	4300
+CC(C)Nc1c(Nc2ccccc2)nccc1	2392
+CC1(C)OB(OC1(C)C)c2cc(OC(C)C)cc(C(C)(C)C)c2	521
+CC(C)n1ncc2c1nc(Br)cc2C(OCC)=O	4302
+CC(C)Oc1cccc(c1)C	521
+CC(C)Oc1cccc2c(nc(nc12)C)Cl	2034
+c1c(F)c(c(cc1C=O)F)OC(C)C	521
+CC(C)n1c2ncnc(N)c2c(n1)I	4302
+COc1cc(cc(OC)c1)C(C(C)C)C#N	3795
+CC(C)Oc1ccc(cc1Br)C(OC)=O	521
+CC(C)Oc1c(Br)c(n(-c2ccccc2)c1C(OCC)=O)Br	2034
+CC(C)n1c2c(nc1)c(NCc3cccnc3)nc(F)n2	2615
+CC(C)Oc1c(Br)ccc2c1c(C)c(C(OCC)=O)o2	521
+CC(C)C#CC(=O)OCC	7772
+c1(Cl)cccc(Cl)c1-n2nnc(C(C)C)c2C(=O)OCC	7773
+CC(C)c1c(c2c(ccc(n2n1)OC)CO)C(OCc3ccccc3)=O	2169
+CC(C)(c1cccc(F)n1)C#N	4178
+c1ccccc1CC(C)(C)C#N	7774
+CC(C)C(Nc1c(cccc1)Cl)=N	4303
+CC(C)C1C(c2c(c(c3oc(cc3c2C1)C(=O)O)C)C)=O	7775
+CC(C)c1nc(-c2ccc(Cl)c(Cl)c2)c(c(n1)O)C#N	4304
+CC(C)C(CC(=O)C(=O)OCC)=O	1135
+CC1(C)c2c(I)cc(cc2N=C1C)I	7776
+CC1(C)c2cc(cnc2N=C1C)Br	7777
+CC(C)(C)OC(Cc1c(C(C)C)noc1C(C)C)=O	7778
+CC(C)c1nn(c(c1)N2CCc3nc(nc(OC)c3C2)-c4c(C)cccc4C)C	7779
+CC(C)C(=O)CC(N1Cc2c(OC)nc(-c3c(C)cccc3C)nc2CC1)=O	7780
+Clc1cccc(Cl)c1CCc2c(c(C(C)C)on2)C(=O)OC	4305
+c1c(Cl)c(c(cc1)Cl)Cc2noc(C(C)C)c2C(=O)OC	4305
+CC(C)C(C(C(=O)OCC)Cl)=O	3667
+c1cc(ccc1Cl)-c2nc(cc(O)n2)C(C)C	4306
+CC(C)c1oc(-c2cc(cnc2N)Br)nn1	3743
+CC(C)c1n2c(nn1)c(ccc2C)C(OC)=O	757
+CC(C)c1nnc2c(C(=O)OC)ccc(Cl)n12	757
+CC(C)c1n2cc(ccc2nn1)F	757
+CC(C)c1n(nnn1)-c2cc(C(OC)=O)cc(-c3ccc(cn3)Cl)c2	4307
+CC(C)C(Nc1c(Oc2c(cc(c(I)c2)OC)C(C)C)cnc(NC(=O)C(C)C)n1)=O	195
+CC(C)C(=O)NNc1ncc(cc1)F	355
+CC(C)C(Nc1cc2cc[nH]c2cc1)=O	33
+CC(C)C(c1c(cc(O)cc1)O)=O	214
+CC(C)C(NCCn1c2CCN(Cc2c3cc(ccc13)C)C)=O	9
+CC(C)c1oc2c(n1)cc(cc2-c3ccc(cc3)F)C(OC)=O	1824
+c1cc(ccc1CC(C)(C)C(=O)O)OC	7781
+c1cc(ccc1OC)N(C)c2nc(nc3c2cccc3)CNC(OC(OC(C(C)C)=O)C)=O	3837
+c1cc(ccc1-c2cnc(O)cn2)NC(C(C)C)=O	7782
+CC(C)C(=O)OC1C(Cc2c3ccccc3ccc2)COCC(NC(c4c(O)c(ccn4)OC)=O)C(=O)OC1C	1008
+CC(C)C(=O)OC1C(Cc2c3ccccc3ccc2)COCC(NC(=O)c4c(c(OC)ccn4)OC(C)=O)C(=O)OC1C	4031
+c1cc(ccc1F)CC(C)(C)C(OCC)=O	1161
+CC(C)Cc1c[nH]c2cc(ccc12)Cl	1283
+CC(C)c1noc2ccc(Br)cc12	7783
+CC(C)C(c1ccc(cc1)CC(C(=O)CC)C(=O)OCC)=O	1251
+CC(C)C(=O)c1ccc(cc1)Cc2c(CC)nc3c(ccc(OCC(=O)OC)c3c2OC(F)F)Cl	1548
+CC(C)C(=O)c1ccc(cc1)Cc2c(OC(F)F)c3c(ccc(c3nc2CC)Cl)OCC(O)=O	4
+CC(C)C(=O)c1c(cc(cc1)OC)OCC(OCC)=O	52
+CC(C)C(c1ccc(C#N)nc1)=O	1704
+CC(C)C(Oc1cccc2c1cc(C)n2Cc3ccccc3)C(=O)OCC	289
+CC(C)C(C(=O)NC(C(=O)Nc1ccc(cc1)CO)C)NC(OCC=C)=O	33
+c1cc(ccc1I)NC(=O)C(C(C)C)C(=O)O	3503
+c1cc(ccc1-c2ccc3c(C(=O)N(C(C(=O)OC)C(C)C)C3)c2)NC(c4c(F)ccc(c4F)C)=O	50
+c1cc(ccc1-c2ocnc2)C(=O)Nc3ccc(cc3)-c4ccc5c(C(=O)N(C(C(=O)OC)C(C)C)C5)c4	3782
+CC(C)C(C(OC)=O)NC(=O)N(Cc1csc(n1)C(C)C)C	468
+c1cc(ccc1-c2ccc(cc2)CO)S(=O)(=O)NC(C(C)C)C(=O)OC	11
+CC(C)c1sc(N)nc1C(=O)OCC	7784
+CC(C)C(C(C)C)(OOC(CN=[N+]=[N-])COS(=O)(=O)C)P(O)(O)=O	7
+CC(C)C(C(C)C)(OOC(CN=[N+]=[N-])CO)P(O)(O)=O	118
+CC(C)C(C(N(CCC)C(CC(c1nc(cs1)C(=O)O)O)C(C)C)=O)NC(=O)C2N(CCCC2)C	1
+CC(C)C(C(N1C(C(=O)OCC(=O)c2cc3COc4cc5C(=O)CCCc5cc4-c3cc2)CCC1C)=O)NC(=O)OC	1231
+C1CC(=O)N(C1=O)OC(C(C(C)C)NC(=O)OCC=C)=O	884
+c1ccccc1COC(NC(C(C)C)C(C(O)=O)O)=O	101
+c1cc(ccc1-c2cc3CN(C(c3cc2)=O)C(C(OC)=O)C(C)C)N	0
+CC(C)c1scc(CN(C)C(=O)NC(C(C)C)C(=O)O)n1	4
+CC(C)c1nc(N)sc1	1102
+CC(C)c1cc(n(-c2cc3scnc3cc2)n1)N	4030
+CC(C)c1onc(c1)C(=O)OCC	3429
+CC(C)C(NCc1c(cccc1)N)CN2CCC(CC2)Cc3cc(c(Cl)cc3)Cl	0
+C1CCN1CC(C(C)C)N(C(=O)c2ccc(cc2)Cl)CC	30
+c1ccccc1COC(=O)NCCc2oc(C(C)C)cn2	7785
+CC(C)c1c2c(NC(=O)C(O2)C(C)C)ccc1	7786
+CC(C)C1COCC(=O)N1	7787
+FC(F)(F)c1c(ccc(-c2cccc(n2)CNC(CO)C(C)C)c1)F	294
+c1ccccc1COC(NC(Cc2cn(CC=C)cn2)C(=O)NC(C(C)C)COCC=C)=O	9
+CC(C)C(N)Cc1cc(c(F)c(OCCCOC)c1)F	316
+CC(C)C1N=Cc2c(cc(c(F)c2F)OCCCOC)C1	2742
+CC(C)C(=O)Nc1nc(N)c(Oc2cc(I)c(cc2C(C)C)OC)cn1	784
+CC(C)C(N1CC(C)c2c1cc(C)c(O)c2C)=O	192
+CC(C)C(=O)c1c2ccc(Cl)cc2[nH]c1	432
+CC(C)C(=O)Nc1cc(cc(c1)-c2ccc(cn2)Cl)C(OC)=O	26
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C)Cc4n[nH]c5c4cc(cc5)OC(=O)C(C)C	385
+CC(C)C(NCCCOc1cc2c(c3n(c(nc3c(n2)N)CCOC)CCC)cc1)=O	68
+c1cc(ccc1)-c2nc(oc2-c3cnc(NNC(=O)C(C)C)cc3)C	1296
+c1cc(ccc1C#N)-c2cncc3C(CCCc23)NC(=O)C(C)C	68
+c1cc(ccc1C)-c2cc(cc(NC(=O)C(C)C)c2)C(=O)OC	26
+CC(C)C(OC(CC)COc1ccc(cc1)CC)=O	204
+CC(C)c1nnc2ccc(Cl)nn12	7788
+CC(C)c1n(Cc2ccccc2)c3cc(ccc3c1C(NCc4cc(F)c(cc4)F)=O)OC(C(C)C)=O	385
+CC(C)C(=O)N(Cc1c2ccccc2nc(O)c1)c3ccccc3	192
+C1CC(CCC1)Cn2c3c(cc(cc3)NS(=O)(=O)c4ccccc4)nc2C(C)C	849
+FC(F)Oc1ccc2nc(C(=O)NC(C(N)=O)(C(C)C)C)c(cc2c1)C(=O)O	7789
+CC(C)c1nc(-c2cccc(NC(=O)OCC=C)c2)c(s1)-c3nc(ncc3)Cl	873
+c1c(F)c(c(cc1)F)C(=O)Nc2cccc(-c3c(sc(C(C)C)n3)-c4ccnc(n4)Cl)c2	873
+CC(C)C(N)CN1CCC1	15
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(=O)Nc4c(C(O)=O)c(ccc4)C)C(C)C	1403
+c1cc-2c(cc1)C(c3ccccc-23)C(NCC(NC(C(=O)Nc4cccc(c4C(O)=O)C)C(C)C)=O)=O	207
+CC(C)C(NC(=O)CCCCCCCCCCC)C(=O)O	726
+FC(F)(F)c1ccc(cc1)NC(C(=O)O)C(C)C	7790
+CC(C)C(C(O)=O)NC(OCC=C)=O	544
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C(=O)O	544
+c1cc(ccc1F)S(=O)(=O)NC(C(=O)O)C(C)C	592
+c1cc(ccc1-c2ccc3CN(C(=O)c3c2)C(C(=O)OC)C(C)C)[N+]([O-])=O	1880
+CC(C)C(C(=O)OC)NC(Oc1ccc(cc1)[N+]([O-])=O)=O	544
+c1cc(ccc1[N+]([O-])=O)-c2cc(C)c(C(=O)NC(C(OC)=O)C(C)C)cc2	259
+CC(C)C(NC(=O)Oc1ccccc1)C(=O)OC	544
+CC(C)C(Cc1cc(F)c(c(OCCCOC)c1)F)NC=O	707
+CC(C)C(N1CC(c2c1cc(c(OC)c2C)C)C)=O	65
+C1CN(CCC1Oc2c(c(N)ccc2)C#N)C(C(C)C)=O	57
+CC(C)C(C(=O)O)N1CCCCC1=O	4
+FC1(F)CC(CC1)NC(=O)C(N2Cc3c(F)cnc4[nH]cc(C2=O)c34)C(C)C	9
+CC(C)C(C(N1C(C)CCC1C(O)=O)=O)NC(=O)OC	3
+C1COC2(O1)CN(C(C(=O)OC)C2)C(=O)C(C(C)C)NC(=O)OC	381
+CC(C)C(NC(=O)OC)C(N1CC2(OCCO2)CC1C(NCC(c3ccc(cc3)Br)=O)=O)=O	612
+c1cc(ccc1-c2nc([nH]c2)C3N(C(C(NC(=O)OC)C(C)C)=O)CC(C)C3)Br	10
+c1cc(ccc1Cl)-c2cccc(NC(=O)C3CCCN3C(=O)C(NC(=O)OC)C(C)C)c2	348
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)OC2CCC(CC2)C(=O)OCI	7791
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)OC2CCC(CC2)C(=O)OCCl	7792
+CC(C)C(C(OC)=O)NC(N(C)Cc1ncccc1)=O	437
+CC(C)C(N1CCCCC1=O)C(OC)=O	7793
+CC(C)C(NC1CCCCC1Oc2cccc(N)c2C#N)=O	57
+CC(C)C(NCCCOc1cc2c(cc1)c3c(c(n2)N)nc(CCO)n3CCC)=O	88
+CC(C)C(NCc1c(c(Cl)cnc1)CO)=O	168
+CC(C)c1nc2c([nH]1)c(Cl)ccc2	7794
+CC(C)C1(CCN(C(O1)=O)C(c2ccc(cc2)Br)C)CC(=C)C	7795
+CC(C)n1cnc2c(nc(NC(CC)C(C(C)C)O)nc12)NCc3cccnc3	1333
+CC(C)C(O)CNC(CCNC(=O)OCc1ccccc1)=O	9
+CC(C)C(CNC(CCNC(=O)OCc1ccccc1)=O)=O	86
+CC(C)C(=O)c1cc(Br)ccc1O	155
+CC(C)C(c1cc(C)c(cc1OCC(=O)OCC)OC)O	52
+CC(C)C(=O)c1cnc(cc1)Br	716
+c1ccccc1CCCCCCC(C)(C)C(OC)=O	3675
+CC(C)Cc1c(O)cc(cc1)O	165
+CC(C)C(=O)c1ccc(cc1O)OC	65
+CC1(C)C(Nc2c(C(OC)=O)cc(cc2C1O)Cl)c3cccc(c3)Br	7796
+CC(C)c1c2cc(ccc2[nH]n1)O	4310
+CC(C)C(=O)c1ccc(cc1)Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O	2175
+FC(F)(F)c1[nH]c2c3c(C(C(=C(C(C)C)O3)c4ccc(cc4)Cl)=O)ccc2n1	1640
+CC(C)C=1Oc2c3c(ccc2C(=O)C=1c4ccc(cc4)Cl)[nH]cn3	631
+CC(C)c1c(nc(SC)nc1O)C	4311
+CC(C)C1=CCC(C)(C)c2c(c(c(cc12)C(C)=C(F)C=CC(C)=CC(=O)OCC)OC(C)C)Br	7797
+CC(C)C1=CCC(C)(C)c2c(c(c(cc12)C(=C(F)C=CC(=CC(=O)O)C)C)OC(C)C)Br	108
+CC(C)C1=CCC(C)(C)c2c(Br)c(OC(C)C)c(C(C)=C(C=O)F)cc12	4312
+CC(C)C1=CCC(C)(C)c2c1cc(C(=C(CO)F)C)c(c2Br)OC(C)C	4313
+FC(F)(F)Oc1ccc(cc1-c2cc3c(C(C)(C)CC=C3C(C)C)cc2C)C=O	11
+CC(C)C=1N(c2ccc(cc2)Cl)C(c3ccc(cc3N=1)N)=O	0
+CC(C)C1Oc2c(N(CC(O)=O)C1=O)cccc2C(C)C	4
+CC(C)C1C(CC(CC1)C)C(=O)NCCc2ccccc2C#N	180
+CC(C)C1CCC(CC1C(Cl)=O)C	130
+c1ccccc1C=2N(C(=O)C(N(C(C)=O)C=2)C(C)C)CC(O)=O	3
+CC(C)C1C2C3C(C1CC2)CCCC3NC(=O)c4c(F)n(nc4C(F)F)C	4314
+CC(C)C1CCCC(C1)C(C)C(C=O)C	7798
+C1CN(CCC1C(O)=O)Cc2cc3ccc(OC4CCC(CC4)C(C)C)cc3cc2	3
+c1cc(ccc1)C(O)CNC(C2C(CCC(C)C2)C(C)C)=O	68
+CC(C)C1COC(=O)N1c2nc(ncc2)NC(c3ccc(cc3)CO)C	1333
+c1cc(ccc1C(Nc2nccc(N3C(COC3=O)C(C)C)n2)C)C=O	39
+CC(C)C1COCCN1	15
+CC(C)C1N2C(c3c(cc(OCCCOC)c(F)c3F)C1)CC(=O)C(=C2)C(=O)OCC	2745
+c1cc(ccc1)CN2C(C)(C)C(NC(C2)C(C)C)=O	1330
+c1cc(ccc1CN2CC(OCC2)C(C)C)Br	131
+c1cc(ccc1OC)CNc2cc(cc(F)c2)CN3C(C(=O)c4cc(C#N)cc(c4)C)=C(C(C)C)C(=O)NC3=O	7799
+CC(C)c1c(C)nc2ccnn2c1Cl	7800
+CC(C)C1=C(C(=O)c2c(c(c(N)cc2)N)O1)c3ccc(cc3)Cl	0
+CC(C)C=1Oc2c(C(=O)C=1c3ccc(cc3)Cl)ccc(NC(OCc4ccccc4)=O)c2Br	7801
+CC(C)C=1Oc2c(C(C=1c3ccc(cc3)Cl)=O)ccc(N)c2[N+]([O-])=O	4316
+CC(C)C=1Oc2c(c(ccc2C(=O)C=1c3ccc(cc3)Cl)NCc4ccc(cc4)OC)[N+]([O-])=O	7802
+CC(C)C=C(c1ccc(cc1)S(=O)(=O)CCOC)c2cc3c(n2S(=O)(=O)c4ccccc4)ncc(F)c3	7803
+C1CN(CCN1CC(C)C)c2ccccc2C3=CC(C)(C)C(C)(C)C3	61
+CC(C)C(c1cc(Cl)cc(C(OC)=O)c1N=Cc2cc(Br)ccc2)O	1512
+FC(F)(F)c1c(C(C(C)C)O)c(ncc1)Cl	1831
+CC(C)(C=O)CCC#N	7804
+CC(C)CNc1cc(ccc1NC(=O)COc2cc(ccc2)OCC)O	291
+CC(C)C(O)c1ccc(Br)nc1	7805
+c1cc(ccc1C#N)-n2c3c(c(NCC(C)C)ccc3)nc2	839
+c1cc(ccc1C(=O)NC)-n2cc3c(CCN(CC(C)C)CC3)n2	61
+CC1(C)C(Nc2ccc(cc2C1O)C(=O)OCC)c3c(C)ccc(F)c3	2894
+CC1(C)C(O)c2c(ccc(C(=O)OCC)c2)NC1c3cccc(c3)Br	2894
+O=S(=O)(c1cc2C(C(C)(C)C(Nc2cc1)c3cc(ccc3)[N+](=O)[O-])O)C	2894
+CC(C)CC1CSC(=Nc2c(C)cc(cc2)Cl)N1CC(C)C	7806
+CC(C)CN1C(N(CC1)c2nc(c(s2)C(OCC)=O)C)=O	1794
+C[Si](C)(C)CCOCn1c2C(N(C(Cl)=Nc2nc1C3CCCC3)CC(C)C)=O	7807
+CC(C)COc1c(cc(Cl)cc1)C	8
+CC(C)COc1c(cc(Cl)cc1)Cc2oc(C(=O)OCC)cc2	8
+CC(C)CON=C(C(=O)C)C(OCC)=O	1071
+CC(C)COc1c(OC)c(OCC)ccc1-c2ccc3C(=O)OCc3c2	8
+CC(C)COc1cc(OCC)cc(CO)c1	8
+CC(C)Cn1c2c(cc(cc2)OC)cn1	1090
+CC(C)COc1ccc(Br)cc1C#N	8
+CC(C)Cn1c2cc(Cl)cc(c2c3c1cccc3)C	935
+CC(C)COC(c1cc(ccc1)-n2c3ccc(cc3cn2)I)=O	1908
+c1ccccc1C2(c3ccccc3)CCCN(C2=O)Cc4onc(-c5ccc(cc5)OCC(C)C)n4	8
+CC(C)CC(=CCCC(CC)=CCOc1cc2c(OCO2)cc1)C	2888
+c1cc(ccc1F)-c2nc(CC(=O)OCC)c(CC(C)C)o2	7808
+c1cc(ccc1C(=O)NCC(CC(C)C)=O)F	2895
+c1(nc(nc(N)c1NC(CC(C)C)=O)-n2nc(Sc3ccccc3F)c4c2cccc4)N	1616
+CC(C)CC(=O)N1CC(CCC1)COc2c(C#N)c(ccc2)[N+](=O)[O-]	58
+CC(C)CC(c1c2c(sc1-c3ccc4c(Br)c(ccc4c3)OCC#N)cccc2)=O	1487
+CC(C)CC(=O)c1cc2cc(oc2c(C)c1C)C(=O)O	94
+CC(C)CC(Nc1c(C(=O)N)nc2ccccc2n1)=O	1841
+CC(C)CC(=O)N1CC(COc2c(C#N)c(N)ccc2)CCC1	0
+O=S(=O)(N)Nc1cccc(OCC2CN(C(CC(C)C)=O)CCC2)c1C#N	1630
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NC(CC(C)C)c3ccc(C(=O)OC)cn3	7809
+c1ccccc1C(c2cc(c(cc2O)OC(CC(C)C)C)C(C)(C)CC)=O	521
+O=S(=O)(N1C(CSCC1)CCNC(=O)C(NC(=O)c2cc3ccccc3s2)CC(C)C)c4c(cc(cc4)Cl)Cl	92
+CC(C)CC(C(=O)Nc1nn(cc1)CC(CO)O)N2C(=O)C=C(C2)Oc3c(c(OCC)ccc3F)F	265
+CC(C)CC(C(O)=O)C(O)=O	3
+CC(C)CC(C(=O)Nc1ccn(CC2OC(C)(C)OC2)n1)N3C(=O)C=C(C3)Oc4c(c(OCC)ccc4F)F	142
+c1ccccc1C2C=CCC(NC(=O)C(NC(=O)C(O)CC(C)C)CC(C)C)C(=O)N2CCOC	207
+CC(C)CC(C(=O)NCC#N)NCc1ccc(cc1)Br	9
+CC(C)CC(C(O)=O)Nc1c(F)c2CN(Cc3ccc(OC)cc3OC)C(=O)c2c(Cl)n1	4
+CC(C)CC(C(O)=O)c1c(cc([N+]([O-])=O)c(F)c1)F	3
+CC(C)CC(c1nc(sc1)-c2ccccc2)C(=O)O	3
+c1cc(ccc1)COC(C(CC(C)C)C(=O)OCC=C)C(=O)OC	1907
+CC(C)CC(C(=O)OCC)c1csc(-c2ccccc2)n1	7810
+CC(C)CC(CC(=O)NOCc1ccccc1)C(NC2Cc3c4c(cccc4)n(c3)CCCCCCNC2=O)=O	293
+c1ccccc1COC(N2CCCC(NC(C(NC(c3cc4c(cccc4)o3)=O)CC(C)C)=O)C(O)C2)=O	1585
+O=S(=O)(N1CC(CNC(C(CC(C)C)NC(c2cc3ccccc3s2)=O)=O)C(O)C1)c4ccc(cc4Cl)F	92
+CC(C)CC(=C)C(O)=O	3620
+O(C)C(OC)CNC(=O)C(CC(C)C)CSC(C)=O	9
+CC(C)CC(O)C(=O)O	2631
+CC(C)CC(Nc1ccc(cc1)Br)C(O)=O	2012
+CC(C)CC(NC(=O)c1cc2ccccc2s1)C(NCCCC(NS(=O)(=O)c3c(cc(cc3)F)Cl)CO)=O	9
+CC(C)CC(NC(=O)c1cc2ccccc2s1)C(NCCCN(S(=O)(=O)c3ccccc3[N+]([O-])=O)C)=O	9
+CC(C)CC(Nc1c(c2c(c(-c3cnn(C)c3)n1)C(N(Cc4ccc(OC)cc4OC)C2)=O)F)C(O)=O	1396
+CC(C)CC(C(=O)OCC)c1cc(c([N+]([O-])=O)cc1F)F	27
+CC(C)CC(NC(OCc1ccccc1)=O)C(CC(=O)NC(C)C(NC(C(O)CC(=O)OC)CC(C)C)=O)O	9
+CC(C)CC(C(O)=O)C(CCC)O	4
+c1cc(ccc1)CCC(C(NC)=O)NC(=O)CC(CC(C)C)C(OC)=O	207
+Fc1cccc(F)c1COc2cccn3c2nc(C)c3C(=O)NCC(CC(C)C)(N)C	312
+CC(C)CC(C)NCCCCCCCCCCCC	87
+CC(C)CC(C)Nc1ccc(cc1)OCC	231
+c1ccccc1COC(=O)NC(C=C)CC(C)C	4318
+CC(C)CC(CC(=O)NO)C(=O)NC1Cc2c3c(cccc3)n(c2)CCCCCCNC1=O	1697
+CC(C)CC1CSC(=Nc2c(cc(cc2)Cl)C)N1	7811
+CC(C)CC(CO)Nc1c2cc(cn2ncc1C(=O)N)Br	719
+CC(C)CC(CO)NC(c1cc(Br)c(Cl)nc1)=O	56
+CC1(C)OCC(CC(C)C)N1C(c2cc(Br)c(nc2)Cl)=O	7812
+CC(C)CC(CO)Nc1c(cnn2cc(cc12)-c3cc(N(C)C)ccc3)C(=O)N	550
+CC(C)CC(C(=O)NC)NC(C(CC(C)C)CP(CN1C(CCCC1=O)=O)(=O)O)=O	228
+CC(C)CC(Cc1c(cccc1)Br)C(NCC#N)=O	9
+c1cc(ccc1F)Cc2c(C3CC3)ccc(n2)C(NC(C(N)=O)CC(C)C)=O	712
+CC(C)CC(NC(C(O)CC(C)C)=O)C(OC)=O	188
+CC(C)CC(C(=O)OC)NC(=O)c1c(cc([N+]([O-])=O)cc1)-c2c(C)cccc2	259
+FC(F)(F)c1cccc2c1CN(C2=O)C(C(OC)=O)CC(C)C	1880
+CC(C)CC(N1CC(=CC1=O)Oc2c(c(OCC)ccc2F)F)C(=O)OC	2546
+CC(C)CC(N1C(=O)C=C(Oc2cccc3c2cccc3)C1)C(=O)OC	2546
+c1cc(ccc1Br)CNC(CC(C)C)C(OC)=O	1528
+c1ccccc1COC(NC(C(NC(CC(C)C)C(=O)OC)=O)CC(=O)N)=O	188
+CC(C)CC(N1CC(=CC1=O)Oc2cccc3c2cccc3)C(=O)O	4
+CC(C)CC(C(=O)O)N1C(=O)C=C(Oc2c(c(OCC)ccc2F)F)C1	4
+CC1(C)OC(CO1)Cn2nc(cc2)NC(=O)C(N3CC(=CC3=O)Oc4cccc5c4cccc5)CC(C)C	142
+C1CC1c2nc(-c3cc(NC(=O)NCC)ncc3-c4ccc5c(c4)C(=O)C(C(=O)OCC)=CN5C(CC(C)C)CO)sc2	1617
+CC(C)CC(C(NN(C(=O)C(O)(C)C(=O)OCC)C)=O)NC(C(C)NC(C(C)NC(C)=O)=O)=O	1038
+O=S(=O)(c1ccc(cc1Cl)C#N)N(CCCNC(=O)C(NC(=O)c2cc3ccccc3s2)CC(C)C)C	92
+c1ccccc1COC(NC(CC#C)C(=O)NC(CC(C)C)C(=O)OC)=O	1403
+CC(C)CC(C(=O)O)NC(C(CC(C)C)O)=O	4
+CC(C)CC(C(O)CC(=O)OC)NC(C(NC(CC(C(N)CC(C)C)O)=O)C)=O	102
+O=S(=O)(c1cnccc1)N2CC(C(NC(=O)C(NC(c3cc4c(cccc4)o3)=O)CC(C)C)CCC2)O	1027
+c1ccccc1C(=O)N2CCCC(NC(C(NC(c3cc4c(cccc4)o3)=O)CC(C)C)=O)C(C2)O	30
+CC(C)Cc1nc(c2nc3ccccc3nc2n1)O	7813
+CC(C)CC(Nc1c(F)c2c(c(-c3cnn(C)c3)n1)C(NC2)=O)C(NC)=O	4319
+CC(C)CC(Nc1c(F)c2CN(Cc3ccc(OC)cc3OC)C(=O)c2c(n1)-c4cnn(C)c4)C(=O)NC	9
+CC(C)CC(C(=O)NCC#N)Nc1ccc(cc1)Br	9
+O=S(=O)(n1c2ccc(-c3nnc(o3)CC(C)C)cc2c(I)c1)c4ccc(cc4)C	7814
+c1ccccc1C(CC(C)C)=O	214
+c1ccccc1COC(C(CC(C)C)O)=O	1699
+CC(C)CC(Sc1ccc(cc1)Br)c2ccc(cc2)C(=O)O	1
+FC(F)(F)Oc1ccc(cc1)-c2ccc(cc2)SC(c3ccc(cc3)C(NCCC(=O)OC)=O)CC(C)C	11
+FC(F)(F)C(F)(F)c1ccc(N)c(C(CC(C)C)C)c1	7815
+CC(C)CC(c1c2c(sc1-c3cc4ccc(c(c4cc3)Br)OCc5[nH]nnn5)cccc2)=O	420
+FC(F)(F)c1ccc(cc1)-c2cc(C(C(=O)OCC)CC(C)C)ccc2OCC	11
+CC(C)CC(c1cc(c(OCC)cc1)Br)C(=O)OCC	116
+CC(C)CC(c1c(N)ccc(I)c1)C	184
+CC(C)CC(c1csc(n1)-c2ccccc2)C(=O)NCC#N	9
+c1cc(ccc1OCC2(CC(C)C)Oc3c(c(C)c(OC(C)=O)c(C)c3C(=O)C2)C)N	0
+CC(C)CC1C(N(CC(c2c1ccc(c2)Cl)c3c(cccc3)Br)CC(=O)O)=O	3
+CC(C)CC1C(N(CC(N2CCC(CC2)CC(O)=O)=O)CC(c3ccccc3Cl)c4cc(Cl)ccc14)=O	3
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(=O)N3CCC(CC3)C(=O)O)c4c(cccc4)Br	3
+CC(C)CC1C(N(CC(c2cc(Cl)ccc12)c3c(cccc3)Cl)CC(=O)O)=O	3
+CC(C)CC=CC(=O)Cl	7816
+CC(C)CCNCc1cccc2c(cccc12)OC	110
+c1cc(ccc1[N+]([O-])=O)CN(C2CCN(CC2)CCC(C)C)C(=O)c3ccc(cc3)CCCCC	61
+c1cc(ccc1)S(=O)(=O)n2c(cc3cc(cnc23)F)C(CC(C)C)O	7817
+FC(F)(F)C(c1cn(CCC(C)C)c2c1ccc(Cl)c2)=O	339
+CC(C)CCOc1ccc(N)c(c1)[N+](=O)[O-]	8
+CC(C)CCN1C(C(CC(=O)OC)Cc2ccccc12)=O	988
+CC(C)CCN1c2c(C3(COc4c3cc(F)c(F)c4)C1=O)cccc2	988
+CC(C)CCC(C(O)C)CO	95
+CC(C)CCCC(CC(C)=O)C	86
+CC(C)CCCC(C)CC(C)O	684
+c1cc(ccc1C)S(=O)(=O)OCCCC=C(CCCC(CCCC(C)C)C)C	36
+CC(C)CCCC(CCCC(=CCCCO)C)C	95
+CC(C)CCCC(CCOCCCCn1cncc1)C	541
+c1c(F)c(c(cc1OCCC(C)C)F)-c2c(C(=O)c3ccc(cc3Cl)F)c(nn2C)C	116
+CC(C)CCNCc1cc(F)c(Oc2cc3c(cc2)C(OC(C)(C)O3)=O)cc1	42
+FC(F)(F)c1ccc(cc1C(N2CCN(CC2)c3ccc4nc(C(=O)NCCC(C)C)cn4n3)=O)F	2588
+CC(C)CCNC(CN1C=CC=C(C1=O)NC(=O)OCc2ccccc2)=O	9
+c1cc(ccc1)OC(NCCC(C)C)=O	101
+CC(C)CCN1C2C(C3CCC2C3)C(O)=C(C4=NS(=O)(=O)c5cc(ccc5N4)NS(=O)(=O)C)C1=O	7818
+CC(C)CCN(CCC(C)C)C(=O)c1ccc(c(c1)NCCCN2CCCCC2)N	0
+CC(C)CCN1C(=O)C(=C(O)c2n1cc(F)c2)C=3NS(=O)(=O)c4cc(ccc4N=3)NS(=O)(=O)C	7819
+CC(C)CCN1C(=O)C(=C(O)c2n1cc(F)c2)C=3NS(=O)(=O)c4cc(I)ccc4N=3	4321
+O=S1(=O)c2cc(Cl)ccc2NC(=N1)C3=C(c4c(cccc4)N(CCC(C)C)C3=O)O	7820
+CC(C)CCN1C(C(C=2NS(=O)(=O)c3cc(ccc3N=2)NS(=O)(=O)C)=C(O)c4cc(cn14)C#N)=O	4321
+CC(C)CCN1c2ccccc2CC(C1=O)CC(=O)NO	909
+CC(C)CCN1C2C(C3CCC2C3)C(=C(C=4Nc5c(S(=O)(=O)N=4)cc(cc5)N(S(=O)(=O)C)C)C1=O)O	418
+FC(F)(F)CC(C(=O)N1CCN(CC1)c2nnc(cc2)C(=O)NCCC(C)C)C	10
+c1ccccc1OC(=O)Nc2cc(ccn2)Oc3cc4c(cc3)n(C(NCCC(C)C)=O)cc4	278
+FC(F)(F)c1ccc(cc1)-c2nc(sc2)NCCC(C)C	354
+CC(C)CCNC(=O)CN1C=CC=C(N)C1=O	1849
+CC(C)CCNC1CC2(C(CCC2C3C1C4(CC(O)C(O)CC4CC3)C)C(OC)=O)C	7821
+CC(C)CCN(Cc1nc2n(cccc2)c1Cc3c(O)ccc(Br)c3)C(c4c(Cl)c(OC)c(cc4)OC)=O	115
+CC(C)CCNCc1c2c(c(ccc2)Oc3ccc(cn3)C#N)ccc1	136
+CC(C)CCNCc1c2cccc(O)c2ccc1	5
+CC(C)CCNCc1c(n2c(n1)cccc2)Cc3cc(ccc3O)Br	5
+c1cccc2nn(nc12)-c3cc(C)cc(c3O)COCCC(C)C	555
+c1(c2c(ccc1O)cccc2)N=Nc3ncccc3OCCC	7822
+c1(cc2c(cc1Br)cnn2C(=O)C)F	4322
+C(=O)(C)n1ncc2c1ccc(c2CC)Br	4322
+c1cc(cc(c1Oc2cc3c[nH]nc3cc2)C#N)F	4323
+c1cc(ccc1C(=NO)C#N)F	7823
+CC(C)CCOc1ccc(c(c1)N)NC(COc2cccc(c2)OC)=O	0
+CC(C)CCOc1cc([N+]([O-])=O)c(NC(=O)COc2cccc(c2)OC)cc1	26
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(ccc(OCC(N(CC)CC)=O)c2)CCC(NS(=O)(=O)CCC(C)C)=O	344
+CC(C)CCS(=O)CCCCCCl	441
+c1ccccc1C=CCN2CCC(CC2)NC3=CC(Oc4ccc(cc34)CCC(C)C)=O	4324
+CC(C)CCn1c2cccc(CCl)c2nc1CN3C(=O)N(C(C)C)c4ccccc34	1045
+CC(C)CCn1c(CCl)nc2c1ccc(C(=O)OC)c2	2176
+CC(C)CCn1c(CO)nc2cc(C(=O)OC)ccc12	47
+CC(C)CCn1c(nc2cc(ccc12)C#N)CN3C(N(c4ccccc34)C(C)C)=O	2597
+CC(C)CCn1c2ccc(C(=O)O)cc2nc1CN3C(N(c4ccccc34)C(C)C)=O	872
+CC(C)CCn1c(CN2C(=O)N(C(C)C)c3ccccc23)nc4c(CO)cccc14	295
+CC(C)CCn1c2c(cc(C(N(C)C)=O)cc2)nc1CN3C(N(c4ccccc34)C(C)C)=O	30
+CC(C)CCn1c2c(nc1CN3C(=O)N(C(C)C)c4ccccc34)c(ccc2)CCN	51
+CC(C)CCn1c2cccc(CC#N)c2nc1CN3c4ccccc4N(C3=O)C(C)C	1716
+CC(C)CN1C(Cl)=CC(N(C1=O)C)=O	7824
+CC(C)CN1C(OC(=O)c2ccccc12)=O	4325
+CC(C)CC1C(=O)N(CC(=O)OCC)CC(c2cc(ccc12)Cl)c3c(cccc3)Br	4326
+CC(C)CC1c2ccc(Cl)cc2C(c3c(cccc3)Cl)CN(CC(=O)OCC)C1=O	4326
+c1cc(ccc1F)-c2n(nc(C(=O)OCC)c2)CC(C)C	1717
+CC(C)CN1c2c(ncn2C3OCCCC3)-c4nncn4C1=O	7825
+CC(C)CNC(Nc1cc(nn1C)C(=O)OC)=O	7826
+Clc1cccc(Cl)c1COc2ccc3c(cc(C(NCC(C)C)=O)n3CCCC#N)c2	81
+CC(C)CNc1c(cnc(Cl)n1)Br	40
+CC(C)CNCc1sc(nc1)Br	7827
+CC(C)CN1C(=S)NC=C1CO	4327
+CC(C)CN1C(=O)Cc2cc([N+]([O-])=O)ccc12	1611
+CC(C)CNc1c([N+](=O)[O-])cc(cc1)C(=O)C	60
+CC(C)(C(NCC(C)C)=O)c1ccc(cc1)-c2cc(cnc2)COC	9
+CC(C)CNC(=O)c1c(nccc1)Oc2ccc(cc2)Nc3ccccn3	2896
+CC(C)CNS(=O)(=O)c1ccc(cc1)OC	71
+CC(C)Cc1c2c(cccc2)ncc1[N+](=O)[O-]	7828
+CC(C)CNCc1cc2[nH]c(-c3c(OC(C)C)ccc(OCc4ccccc4)c3)nc2nc1	249
+CC(C)CNc1c2n(c3c(cccc3)n1)c(Br)cn2	3829
+CC(C)CNCc1oc(cc1)Br	3887
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc(c(c1)NCCCN2CCCCC2)N)=O	0
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc(c(NCCCN(C)C)c1)N)=O	0
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc([N+](=O)[O-])c(c1)NCCCN(C)C)=O	205
+CC(C)CN(CC(C)C)c1ccc(cc1[N+](=O)[O-])C(C(F)(F)F)O	714
+CC(C)CN(CC(C)C)c1c(cc(cc1)C2(CC2)C(O)=O)[N+]([O-])=O	270
+CC(C)CN(CC(C)C)c1c([N+]([O-])=O)cc(cc1)C(=O)C(F)(F)F	2177
+CC(C)CN(CCCCC(OC)=O)c1c(C=O)cc(cc1)Br	325
+CC(C)CN1c2ccc(cc2C=C(C(OC)=O)CCC1)Br	2897
+CC(C)CN1C(NN)=CC(=O)NC1=O	2592
+CC(C)CN1C(=O)C(C(=O)N(CC(C)C)C1=O)C(=O)NCC(=O)O	3
+CC(C)CN1C(=O)Cc2cc(ccc12)N	0
+CC(C)CN1c2c(CC1=O)cc(cc2)NCC(O)C(OC)=O	1967
+CC(C)CN1C(=O)N(C)C(=O)c2c(-c3n(cc(c3)C(NOC)=O)C)n(Cc4c[nH]c5ccc(cc45)C)nc12	1546
+CC(C)CN1C(N(N=C1c2scc(c2Cl)C)CC(O)=O)=O	3
+CC(C)CN1C(=O)N(c2sc(C(N)=O)c(C)n2)CC1	4328
+CC(C)CN1C(N(CC1)c2nc(c(C(=O)NCc3ccn(C)n3)s2)C)=O	454
+CC(C)Cn1cncc1CO	4329
+CC(C)CN1N=C(c2cc(c(cc2)C)F)C=C(C1=O)COS(=O)(=O)C	2178
+CC(C)CN1C(Cc2cc(N3CC(OC3=O)C(=O)NC)ccc12)=O	248
+CC(C)CN1C(NN)=CC(=O)N(C1=O)C	2592
+CC(C)CN1C(=O)N(c2sc(c(n2)C)C(O)=O)CC1	6
+FC(F)(F)c1cccc(c1)CNC(CN2N=C(N(CC(C)C)C2=O)c3c(c(cs3)C)Cl)=O	9
+CC(C)CN1C(=O)N(Cc2ncccc2)C(=O)c3c1nn(Cc4c5c(cccc5)sc4)c3-c6cccn6C	7829
+CC(C)CN1c2nn(c(c2C(=O)N(C)C1=O)-c3cc(cn3C)C(=O)OC)Cc4c5c(cccc5)ccc4	4330
+CC(C)CN1C(=O)N(C)C(=O)c2c(-c3cc(cn3C)C(=O)O)n(Cc4c[nH]c5ccc(cc45)C)nc12	3751
+CC(C)CN1c2nn(Cc3ccnc4ccc(cc34)Cl)c(-c5n(C)ccc5)c2C(NC1=O)=O	4330
+CC(C)CN1C(NC(=O)c2c1nn(Cc3c4c(cccc4)sc3)c2-c5cccn5C)=O	7830
+CC(C)CN1C(=O)N(N=C1c2scc(c2Cl)C)CC(=O)OCC	7831
+c1cc(ccc1C)C=2C=C(C(=O)N(CC(C)C)N=2)COS(=O)(=O)C	1191
+CC(C)CN1C(Cc2cc(ccc12)N3C(=O)OC(C(OC)=O)C3)=O	7832
+CC(C)CN1C(=O)n2cnnc2-c3nc[nH]c13	7833
+c1cc(ccc1OCCOCCCC)-c2cc3c(cc2)N(CC(C)C)CCCC(C(=O)OC)=C3	750
+CC(C)CN1C(=O)C(C(=O)NNC(=O)CCCCCCCCCCC)=C(c2c1cccc2)O	7834
+CC(C)CNC(=O)NNC(=O)c1scc(C)c1Cl	7835
+CC(C)CNC(Nc1cccc(N)c1)=S	2898
+CC(C)CN1C(c2scc(c2Cl)C)=NNC1=O	7836
+c1cc(ccc1Cl)C2(CC2)C(=O)N3C(C(=O)NC(C(C(=O)NCC(C)C)=O)CC)CC(S(=O)(=O)c4ccccc4Cl)C3	612
+CC(C)CN1C(=O)CC(N(CC(C)C)C1=O)=O	7837
+CC(C)CNC(Nc1n(nc(C(=O)O)c1)C)=O	1
+CC(C)CNC(=S)Nc1cc(NC(=O)Nc2ccc(cc2)Cl)ccc1	124
+CC(C)CN(CC(C)C)c1ccc(CC#N)cc1[N+](=O)[O-]	34
+CC(C)CN(CC(C)C)c1c(cc(C=O)cc1)[N+](=O)[O-]	34
+CC(C)CNCc1sc(-c2cccc(S(=O)(=O)C)c2)cc1	268
+CC(C)CN(C(=O)c1nc(ccc1)F)Cc2c(c3n(ncn3)cn2)CCC	147
+O=S(=O)(N(CC(C)C)Cc1oc(Br)cc1)c2c(cccc2)Cl	92
+O=S(=O)(N(CC(C)C)Cc1sc(cc1)-c2cc(S(=O)(=O)C)ccc2)c3c(C)ccc(c3)F	92
+O=S(=O)(Cc1ccccc1)N(Cc2cnc(Br)s2)CC(C)C	112
+O(C)c1cccc(OC)c1-c2n(CC(C)C)nc(C(=O)OCC)c2	2054
+c1cc(ccc1-c2cc(C(=O)OCC)nn2CC(C)C)Br	2054
+O=S(=O)(N(Cc1ccc(cc1)Cl)CC(C)C)c2ccc(cc2)OC	692
+CC(C)CNc1c(N)cc(C(=O)C)cc1	0
+CC(C)CNc1c(cnc(n1)C#N)Br	738
+c1cc(ccc1)Cc2cc3cnc(C#N)nc3n2CC(C)C	7838
+CC(C)CNc1nc2c(n3c(cnc13)-c4cc5c(cc4)OCCO5)cccc2	7839
+CC(C)CNc1c2n(cc(n1)-c3ccccc3)ccn2	356
+CC(C)Cn1c2c(nc1COc3cccc(OCC)c3)ccc(O)c2	1264
+CC(C)Oc1cc(C(=O)Nc2ncc(C(=O)OC)cc2)cc(OCC(C)C)c1	126
+c1c(Cl)cc(c(c1[N+]([O-])=O)O)C(c2cc(cc([N+]([O-])=O)c2O)Cl)OCC(C)C	7840
+C1CN(CCN1C(OCC(C)C)=O)c2nc(-c3c(OC)cccc3)nc4ccsc24	2094
+CC(C)COC(Nc1ccc(c(c1)F)Br)=O	1718
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)NC(=O)OCC(C)C)F	90
+CC(C)COC(OC(=O)CN1c2ccccc2C3(c4c(OC3)cc5OCOc5c4)C1=O)=O	7841
+CC(C)COC(=O)Nc1cccc(c1)F	90
+CC(C)COC(=O)n1c(-c2ccc(cc2)Br)ncc1	7842
+CC(C)COC(c1cc(-n2c3ccc(cc3cn2)OC(C(NC(=O)C(F)(F)C)C)c4ccc5c(OCOC5)c4)ccc1)=O	9
+CC(C)COC(c1cc(-n2c3ccc(cc3cn2)OC(C(N)C)c4cc5c(cc4)COCO5)ccc1)=O	669
+CC(C)CON=C(C(=O)OCC)C(=O)CCl	969
+CC(C)CON=C(C(=O)OCC)c1csc(n1)N	1145
+CC(C)CON=C(c1nc(sc1)N)C(O)=O	3
+CC(C)CON=C(C(NC1C(=O)N2C1SCC=C2C(O)=O)=O)c3nc(sc3)N	999
+c1cc(ccc1[N+]([O-])=O)COC(=O)C2=C(CSC3N2C(C3NC(C(=NOCC(C)C)c4csc(NC=O)n4)=O)=O)O	471
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(C(=NOCC(C)C)c4csc(NC=O)n4)=O)=O	471
+CC(C)CON=C(c1nc(NC=O)sc1)C(O)=O	1274
+OC(CP(C)(=O)O)CN	7843
+CC(C)COP(=O)(C)CC(CN)O	18
+CC(C)COc1cc(CO)c(nc1-c2cc(OC)ccc2F)OC	295
+CC(C)COc1cc(c(C(=NO)c2ccc(OCC(C)C)c(c2)CCC(=O)OCC)cc1)OCC(C)C	1205
+CC(C)COc1ccc(C(Nc2cccc(OC)c2)=S)cc1C#N	581
+CC(C)COc1ccc(Cl)cc1Cc2oc(CO)cc2	4333
+CC(C)COc1ncc(cc1Cl)OCc2cc(c(C(OC)=O)cc2F)F	483
+CC(C)COc1c(C#N)cc(-c2sc3c(cccc3O)n2)cc1	7844
+CC(C)COc1cc(COc2cc(C(CC(=O)O)C3CC3)ccc2)c(nc1-c4cc(OC)ccc4F)OC	4
+c1ccccc1S(=O)(=O)NC(c2ccc(-c3cc(cc(F)c3)OCC(C)C)nc2Cl)=O	3968
+CC(C)COc1cc(cc(OCC)c1)C=O	39
+CC(C)COc1c(CCC(OCC)=O)cc(C(c2c(OCC(C)C)cc(OCC(C)C)cc2)N)cc1	4334
+CC(C)COc1cc2CC(CC)N3C=C(C(=O)O)C(=O)C=C3c2cc1OC	108
+OB(O)c1ccc(c(C#N)c1)OCC(C)C	281
+CC(C)COc1c(cc(cc1)-c2sc3c(cccc3OC)n2)C#N	2179
+CC(C)COc1c(cc(Cl)cc1)Cc2oc(cc2)C=O	2180
+CC(C)COc1c(-c2ncc(c(O)n2)-c3[nH]nnn3)cccc1	4335
+CC(C)COc1ccccc1-c2nc(O)c(C#N)cn2	7845
+CC(C)COc1ccccc1-c2ncc(C(=O)N)c(n2)O	7846
+CC(C)COc1ncc(OCc2c(cc(c(F)c2)C(=O)O)F)cc1Cl	1
+CC(C)CSc1ccc2c(cc(N)c([N+]([O-])=O)c2)c1	972
+CC(C)CS(c1ccc2c(c1)cc(N)c(N)c2)=O	0
+CC(C)CS(=O)c1ccc2cc(c(cc2c1)N)[N+]([O-])=O	357
+CC(C)Cc1cc(nc(Cl)n1)Cl	4336
+FC(F)(F)c1ccc(cc1)-c2nc(ccc2)C(O)CC(C)C	2899
+c1cc(ccc1C(O)CC(C)C)C(=O)OC	758
+CC(C)Cc1ncc(cc1C#N)C(OCC)=O	7847
+CC(C)Cc1cc(ccc1-c2cc(Cc3c4ccccc4ccc3)c(cc2)O)CCC#N	5
+CC(C)Cc1c(O)cc(O)c(C(=O)C)c1	214
+CC1(C)C(C)(C)OB(O1)c2ccc(c(C#N)c2)CC(C)C	17
+CC(C)Cc1c2ccc(nc2ccc1)O	2900
+CC(C)Cc1c2C=CC(=O)[NH+]([O-])c2ccc1	7848
+CC(C)Cc1c2c(ncc1N)cccc2	13
+Clc1cc(cc(Cl)c1)-c2ccc3c(cccc3n2)CC(C)C	691
+CC(C)Cc1c2ccc(nc2ccc1)Cl	532
+CC(C)Cc1cn(c2cc(Cl)ccc12)-c3nc(C(OCC)=O)cs3	7849
+c1cc(ccc1F)-n2c(CC(C)C)cc(n2)CN	2880
+CC(C)Cc1cc(ccc1-c2ccc(-c3cc(Cc4c5c(cccc5)ccc4)c(O)cc3)c(CC(C)C)c2)CCC#N	5
+CC(C)Cc1nc(nc(OC)c1)OC	2901
+c1cc(ccc1-c2noc(n2)-c3ccc(cc3)CC(C)C)C4CC5(C(N(C)C(=O)N5)=O)CC4	910
+CC(C)Cc1ccc(cc1)C(C)C(NCCCCO)=O	9
+CCOP(OCC)(=O)OCCCCNC(C(c1ccc(cc1)CC(C)C)C)=O	4337
+CC(C)Cc1c(C#N)cc(cc1)N	0
+CC(C)Cc1c2c([n+]([O-])ccc2)ccc1	924
+CC(C)Cc1c2c(n(-c3nc(CO)cs3)c1)cc(Cl)cc2	1171
+CC(C)Cc1cc(C=NO)nn1-c2ccc(cc2)F	688
+c1ccccc1CN2C(=O)c3nc4c(nc3N=C2CC(C)C)cccc4	7850
+CC(C)Cc1sc(-c2onc(C(CCC(O)=O)CC(Nc3c(Cl)cc(cc3)C)=O)c2C4CC4)cn1	1405
+CC(C)Cn1c2c3c(cccc3)nc(N)c2nc1CN	18
+CC(C)Cn1c2ccc(cc2cn1)O	5
+CC(C)Cn1c(nc2c(nc3c(cccc3)c12)N)CN=[N+]=[N-]	2902
+CC(C)Cn1c2c(nc1COc3cccc(OCC)c3)ccc(c2)OCC(OCC)=O	52
+CC1(C)C(C)(C)OB(O1)c2cc(C)c3c4ccccc4n(c3c2)CC(C)C	7851
+CC(C)Cn1c2ccc(cc2cn1)Oc3c(cc(cc3)F)C#N	46
+CC(C)Cn1c2ccc(Oc3ccc(cc3CN)F)cc2cn1	107
+CC(C)Nc1c(cc2N(C(=O)C(C)(C)c2c1)CCCCC)[N+](=O)[O-]	7852
+CC(C)Oc1cc(c(cc1)C)C(=O)N2CCC(CC2)N3C(=O)C(C)(C)C(c4cc(OC)c(OC)cc4)=N3	313
+CC1(C)C(C)(C)OB(O1)c2cn(nc2)C(C)C	2182
+C[Si](C)(C)C#Cc1cc(OC(C)C)c2c(c1)C(C)(C)CCC2=O	313
+CC(C)Oc1cc(-n2c(C)c(c(C)n2)C)c(F)cc1Cl	313
+CC(C)N1N=C(c2cc(ccc2)Cl)c3c(cccn3)C1=O	7853
+FC(F)(F)C(=O)c1cn(c2cc(C)ccc12)C(C)C	4338
+FC(F)(F)C(=O)c1c2ccc(cc2n(C(C)C)c1)OC	4338
+FC(F)(F)c1c2c(c(Br)ccc2nc(c1)OC(C)C)OCc3ccccc3	7854
+FC(F)(F)c1cnc(Oc2cc(OC(C)C)ccc2C=C(C(OCC)=O)C)c(Cl)c1	313
+CC(C)n1c2ncnc(N)c2c(n1)I	7855
+O=S(=O)(c1c(ccc(Br)c1)OC(C)C)NC(Cc2c[nH]c3c2cccc3)C(=O)OC	313
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(OC(C)C)ccc13)C	313
+CC(C)Oc1ccc(C(=O)OC)cc1C	313
+CC(C)Oc1ccc(cc1Br)[N+]([O-])=O	313
+CC(C)n1nc2c(cccc2c1-c3c(cc(cc3)OC)OC)F	7856
+CC(C)Oc1cccc(C=O)c1	313
+CC(C)Oc1c([N+](=O)[O-])ccc(F)c1	313
+CC(C)n1nc(cc1)-c2scc(c2)Br	2182
+CC(C)N1C(=O)C(CC)Oc2cc(ccc12)C(=O)OC	3344
+CC1(C)OC2C(C(OC2CN(CCCN3C(=O)c4c(cccc4)C3=O)C(C)C)n5c6ncnc(c6nc5)N)O1	2689
+CC(C)n1c2c(c(nc(Cl)c2)Cl)nc1	7857
+CC(C)Oc1c(Br)ccc(O)c1	313
+CC(C)Oc1ccc([N+]([O-])=O)c(C#N)c1	313
+CC(C)n1cc(-c2cc(Br)c(F)cc2)c(-c3nc(ccc3)C)n1	2182
+CC(C)Oc1ccc(cc1C(OC)=O)I	313
+CC(C)N1CCCc2c1cccc2	3977
+c1cc(ccc1F)-c2cn(c(C(=O)OCC)c2-c3ccccc3)C(C)C	7858
+c1cc(ccc1OC)-c2c(cnc(n2)N)C3=NN(C(C)C)C(=O)C=C3	7859
+c1cc(ccc1-c2c(cc(c(c2F)OC(C)C)C=O)Br)F	313
+c1cc(ccc1-c2c3c(c(ccc3)Cl)n(n2)C(C)C)OC	7860
+CC(C)N1N=C(c2c3n(ccc(OC)c3)nc2-c4ccccc4)C=CC1=O	4226
+c1ccccc1COC2=CC(Br)=CN(C(C)C)C2=O	7861
+c1ccccc1COc2ccc(cc2)N3C(=O)N(c4c3nccc4)C(C)C	7862
+CC(C)n1c2ncncc2c(I)c1	7863
+CC(C)n1nc(c(c1)-c2ccnc(n2)SC)-c3sc(Cl)cc3	2182
+CC(C)N1C(=O)CC(=O)N(C(C)C)C1=O	1984
+CC(C)Nc1c(C(OCC)=O)cnc(SC)n1	40
+CN(C)C(c1ccc(cc1)-c2c(OCCNC(C)C)ccc(-c3nc(c4c(cc(OC)cc4OC)n3)O)n2)=O	132
+CC(C)Nc1nc(Cl)cc2c1C(=O)N(C)C=N2	70
+COc1cc(cc(OC)c1)C2=CC(c3c(O2)cc(cc3)OCC(CNC(C)C)O)=O	122
+CC(C)Nc1c(cc(cc1)Cl)[N+]([O-])=O	205
+FC(F)(F)c1cc(Cl)c(nc1)-c2ccc(c([N+](=O)[O-])c2)NC(C)C	60
+FC(F)(F)c1cc(C(Nc2c(c3nsnc3cc2C(=O)NC(C)C)Cl)=O)n(n1)-c4c(cccn4)Cl	1302
+CC(C)NC=1N=C2N(C=CC=C2)C(=O)C=1Br	7864
+CC(C)NC(c1ccccc1N)=O	1338
+CC(C)NCc1c(O)nc2c(cccc2C)c1	249
+CC(C)NCc1c(cccc1)O	42
+CC(C)NCc1c(OCCCCCC(OCC)=O)cccc1	42
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCNC(C)C	132
+CC(C)NS(=O)(=O)c1ccccc1[N+]([O-])=O	71
+CC(C)Nc1c([N+]([O-])=O)cccc1	60
+CC(C)Nc1c([N+]([O-])=O)c(ccc1)F	60
+CC(C)Nc1c(cnc(Cl)c1)[N+](=O)[O-]	105
+CC(C)NC(c1cc(F)c(Br)cc1)=O	14
+CC(C)Nc1c(C(O)=O)ccc(c1)Br	60
+CC(C)Nc1c(C(OCC)=O)cnc(Cl)c1	105
+CC(C)Nc1nc2c(cc(C=O)cc2F)s1	3841
+CC(C)Nc1nncc2cc(Br)ccc12	232
+CC(C)NC(=O)c1sc(cc1OCc2ccccc2C)-n3cnc4ccccc34	227
+CC(C)Nc1c2c(nnc1I)cc(-c3ccc(cc3)S(=O)(=O)C)cc2	4341
+c1cc(ccc1C)S(=O)(=O)N2CCCC(c3ccccc23)CC(=O)NC(C)C	9
+c1cc(ccc1CC(NC(C)C)=O)-c2ccc(cc2)OC(C)C(CCc3cnccc3)O	9
+C1CC1c2[nH]nc(c2)Nc3nc(c(C#N)c(c3F)NC(C)C)NC(C)c4ccc(cc4)F	7865
+c1cc(ccc1S(=O)(=O)Nc2cc(nc(NCC)n2)NC(C)C)N	40
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)(NCc4ccccc4)C(=O)NC(C)C	9
+CC(C)Nc1nccc(-c2c(nn3c2cccc3)-c4cc(F)ncc4)n1	785
+CC(C)N(C(=O)c1ccc(cc1)-c2occc2)Cc3ccccc3OCCCCc4nnn[nH]4	420
+CC(C)N(C(C)C)C(=O)c1ccc(cc1)OCCCCCOc2ccc(cc2)C(=N)NO	181
+CC(C)N(C(C)C)C(c1ccc(cc1O)O)=O	5
+CC(C)N(C(C)C)C(=O)c1ccc(cc1)OCCCCCOc2ccc(cc2)C#N	72
+CC(C)N(C(C)C)C(c1c(O)cc(OCCCCCOc2ccc(cc2)C#N)cc1)=O	8
+CC(C)N(C(C)C)C(c1c(cc(cc1)O)OC)=O	5
+CC(C)N(C(C)C)CC#CCCC=O	24
+CC(C)N(C(C)C)CC#Cc1c2c(nc(nc2n(c1)Cc3c(c(c(C)cn3)OC)C)N)Cl	4044
+CC(C)N(C(C)C)CCCSc1ccc([N+]([O-])=O)c(c1)C	411
+CC(C)N(C(C)C)CCCSc1cc(c(cc1)N)C	0
+CC(C)N(C(C)C)CCN1c2ccc(cc2C(=O)C1=O)NC(C)=O	7866
+CC(C)N(C(C)C)CCN1C(C(=NNC(=O)N)c2cc(ccc12)NC(C)=O)=O	7867
+CC(C)N1C(CC)C(=O)Nc2cnc(Cl)nc12	2044
+CC(C)(Cn1cc(cn1)-c2ccc3OCCc4c(nc(C(=O)N(C(C)C)CCO)s4)-c3c2)O	320
+FC(F)(F)c1cc(C(=O)NC2C(N(C3C(CCC)CC(CC3)N(C)C(C)C)CC2)=O)c(NC(=O)NCC)cc1	1007
+CC(C)N(C)C1c2n(c3c(cccc3)c2C)CCC1	695
+c1ccccc1-c2sc(c(N(C(C3CCC(CC3NC(=O)C)C)=O)C(C)C)c2)C(=O)O	1
+c1cc(ccc1N(C(C)C)C(CN2c3ccccc3N(C(=O)CC2=O)c4ccccc4)=O)C	4342
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=Cc2ccc(cc2)N(c3ncccn3)C(C)C)=O	1046
+CC(C)N1C(=O)C(C(=O)N(C(C)C)C1=O)C(NCC(=O)O)=O	3
+CC(C)N1C(C(Oc2c1ccc(C(=O)O)c2)CC)=O	1
+c1cc(ccc1-c2c(nc(C(=O)N)c(n2)N)C=3C=CC(=O)N(C=3)C(C)C)OC	696
+c1cc(ccc1F)-c2c(nc(c(n2)N)C#N)C=3C=CC(N(C(C)C)N=3)=O	7868
+CC(C)N1N=C(C=CC1=O)c2c(-c3ccccc3)nc(cn2)N	4343
+CC(C)N1C(=O)C=CC(=N1)c2nc(C(=O)O)c(N)nc2-c3ccccc3	4344
+CC(C)N1C(=O)C=CC(=C1)c2c(nc(N)c(C(=O)N)n2)Cl	2903
+CC(C)N1c2ccc([N+]([O-])=O)cc2CC1=O	31
+CC(C)n1c(nc2cc(ccc12)Cl)Cl	1088
+CC(C)N1C(=O)c2cc(ccc2C(=N1)Br)O	477
+CC(C)N1C(=O)c2c(C(=N1)Br)ccc(S)c2	7869
+CC(C)N1C(=O)c2cc3nc([nH]c3cc2C1=O)-c4c(nccc4Cl)OC	3792
+CC(C)N1N=C(Br)c2ccc(OC)cc2C1=O	65
+CC(C)N1C(c2cc3[nH]c(-c4c(O)nccc4NC(C)Cc5c(C)ccc(c5)F)nc3cc2C1=O)=O	105
+CC(C)N1C(=O)c2cc3c(nc([nH]3)-c4c(Cl)ccnc4O)cc2C1=O	104
+CC(C)N1C(C(C)(C)c2ccc(NCc3ccccc3)cc12)=O	250
+CC(C)N1c2cc(ccc2C(C)(C)C1=O)N	1197
+CC(C)N1C(C(Oc2cc(C(Cl)=O)ccc12)CC)=O	82
+CC(C)N1CCN2C(=C(C(=O)N=C2Cc3c(Cl)cccc3Cl)O)C1=O	7870
+CC(C)N1C(C=CC(c2c(nc(c(NCCN(C)C)n2)N)-c3ccccc3)=N1)=O	941
+C[Si](C)(C)C#Cc1c(N)nc(c(C2=NN(C(=O)C=C2)C(C)C)n1)-c3ccccc3	4345
+c1cc(ccc1)-c2nc(c(-c3ccccc3)nc2N)C4=NN(C(C)C)C(C=C4)=O	356
+c1cc(ccc1)C#Cc2c(nc(-c3ccccc3)c(n2)C=4C=CC(N(N=4)C(C)C)=O)N	2350
+CC(C)N1c2c(cnc(Cl)n2)N(C(=O)C1CC)C	7871
+CC(C)N1C(Oc2cc(cc(F)c12)N3C(=O)OC(C3)C(=O)N)=O	327
+CC(C)N1C(=O)c2c(C(Br)=N1)ccc(N)c2	0
+CC(C)N1C(c2cc(ccc2C(=N1)Br)CSC)=O	639
+CC(C)N1Cc2c(C1=O)cc3[nH]c(-c4c(NC(Cc5cc(ccc5C)F)C)ccnc4O)nc3c2	1598
+CC(C)N1C(=O)C=CC(c2c(Cl)[n+]([O-])c(N)c(C(N)=O)n2)=C1	2904
+CC(C)N1CC(Oc2ccc(Cl)cc2Br)CC1	624
+CC(C)N1CC(CC1)OS(=O)(=O)C	7
+CC(C)N1CCC(CC1)COc2c3c(c(cc2C(NC(CC)(C(=O)O)C)=O)Cl)cccc3	3
+C1CN(CCC1NS(=O)(=O)CCNC(c2ccc(cc2)Cl)=O)C(C)C	14
+CC(C)N1CCC(CC1)NS(=O)(=O)CCN	45
+CC(C)N1CCC(CC1)Oc2ccc3c(cc(C(OC)=O)s3)c2	419
+CC(C)N1CCC(CC1)Oc2ccc3n4C(C)CNC(c4cc3c2)=O	419
+C1CC(CCN1C(C)C)Oc2nc3CCN(Cc3cc2)Cc4ccccc4	91
+C1CN(CCN1C(N(C)C)=O)C(c2[nH]c3cc(Cl)c(OC4CCN(CC4)C(C)C)cc3c2)=O	776
+CC(C)N1CCC(CC1)Oc2cc3c(cc2)sc(c3)C(O)=O	1
+CC(C)N1CCC(CC1)Oc2ccc(cn2)N	13
+CC(C)N1CCC(CC1)c2scc(C(O)=O)n2	6
+c1cc(ccc1Cl)NC(c2nc(sc2)C3CCN(CC3)C(C)C)=O	2015
+CC(C)N1c2ccc(cc2CCC1)C=O	151
+CC(C)N1c2c(CCC1)cc(C(C)=CCO)cc2	2624
+C1CN(CCN1c2cc(c(cc2F)[N+]([O-])=O)OC)C(C)C	79
+C1CN(CCN1C(C)C)c2c(OC)ccc(-c3nc(c4c(cc(OC)cc4OC)n3)O)n2	323
+c1cc(ccc1C=O)N2CCN(CC2)C(C)C	34
+CC(C)N1CCN(CC1)C2CN(C2)c3cc4c(C=CC(=O)N4Cc5ccc(cc5)OC)nc3	85
+C1CN(CCN1C(=O)OC2CN(CC2)c3ncc(C(=O)N)cc3)C(C)C	1011
+CC(C)N1CCN(CC1)C(=O)c2nc(c(s2)-c3c4c(ccc3)cccc4)C	1999
+O=S(=O)(c1ccc(cc1)OC)Oc2cc3n(nc(-c4ccccc4)c3C5=NN(C(C=C5)=O)C(C)C)cc2	681
+CC(C)N1C(=O)C=CC(=N1)c2nc(C#N)c(nc2-c3ccc(cc3)F)N=CN(C)C	696
+CC(C)N1N=C(C=CC1=O)c2c(nn3ccc(cc23)O)-c4ccccc4	5
+CC(C)N1N=C(c2c(cc(CO)cc2)C1=O)Br	217
+CC(C)N1C(=O)Cc2ccccc12	1562
+CC(C)N1c2c(cc(N)cc2OC1=O)F	0
+CC(C)N1C(Oc2c1c(cc(N3CC(C(=O)OC)OC3=O)c2)F)=O	7872
+CC(C)N1c2ccc(C(C)=C(F)C(OCC)=O)cc2CCC1	2905
+CC(C)N1c2c(OC1=O)cc(NCC(C(OC)=O)O)cc2F	1967
+CC(C)N1c2c(cc(C(=O)C)cc2)CCC1	155
+CC(C)N1C(CC)C(N(c2cnc(Nc3ccc(c4CCOc34)C(=O)O)nc12)C)=O	55
+CC(C)N1c2cc(ccc2C(C)(C)C1=O)NC(c3cnccc3)=O	246
+CC(C)N1c2ccc(cc2CC1=O)N	0
+CC(C)N1c2c(cc(cc2)C(O)C)CCC1	449
+O=S(=O)(c1c(Cl)cc(cc1)Cl)NCCCCN(CC(O)COC)C(=O)NC(C)C	384
+CC(C)NC(Nc1cnc2c([nH]c(n2)-c3cc(ccc3Cl)NC(=O)c4occc4)c1)=O	2374
+CC(C)Nc1n(c2c(n1)cc([N+]([O-])=O)cc2)C	7873
+CC(C)Nc1nc2c(F)c(F)c(Cl)cc2[nH]1	3759
+c1cc(ccc1Oc2ncc(Br)s2)S(=O)(=O)N(C(C)C)C	2691
+CC(C)NC(=O)Cn1cc(cn1)Nc2nccc(Cl)n2	4346
+c1c(F)c(c(cc1C#N)F)CNc2nc(ncc2)Nc3cn(CC(NC(C)C)=O)nc3	40
+CC(C)NC(=O)c1ccc(c(-c2nc(c(N)cc2)C(=O)O)c1F)F	1
+CC(C)NC(=O)c1nc(sc1C(=O)OCC)-c2ccc(NC(NCC)=O)nc2	7874
+CC(C)NC(=O)c1nc(sc1C(O)=O)-c2cnc(cc2)NC(NCC)=O	6
+CC(C)N(C(C)C)C(c1ccc(cc1)O)=O	30
+CC(C)N(C(CC)C(=O)OC)c1nc(ncc1[N+](=O)[O-])Cl	2619
+FC(F)(F)S(=O)(=O)Oc1ccc2C=C(c3cc(Cl)ccc3)N(CC(=O)NC(C)C)C(c2c1)=O	166
+CC(C)NC(CN1C(=O)c2cc(ccc2C=C1c3cc(Cl)ccc3)O)=O	5
+CC(C)NCCc1cccc(c1)O	15
+CC(C)NC(=O)c1[nH]c(C=O)nc1	7875
+CC1(C)OB(OC1(C)C)c2c(ccc(c2F)C(NC(C)C)=O)F	17
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CN(C4)c5ccc(C(=O)NC(C)C)cc5F)CC#N)c3)c2cc1	79
+CC(C)NC(=O)c1c(cccc1)Nc2nc(Cl)ncc2Cl	73
+C[Si](C)(C)CCOC(=O)c1cc(S(=O)(=O)N(C2CCC(CC2)C(=O)OC)C(C)C)ccc1	92
+CC(C)N(C=O)C1c2n(CCC1)c3ccccc3c2C	1003
+CC(C)NC=1N=C2C=CC=CN2C(=O)C=1c3ccc(cc3)Cl	7876
+c1cc(ccc1)-c2ncc(N(C(C)C)CCCCO)nc2-c3ccccc3	317
+Fc1cccc(F)c1N2C(=O)C=Cc3c2nc(nc3-c4c(C)ccc(C(=O)Nc5sccn5)c4)NCCCNC(C)C	306
+O=S(=O)(Nc1c(ccc([N+]([O-])=O)c1)OCCNC(C)C)C	57
+CC(C)N(C(c1nc2-c3cc(ccc3OCCc2s1)Br)=O)CCO	1999
+CC(C)N(CCOc1c(-n2cccc2)cc(cc1)[N+](=O)[O-])CCc3cc(OC)c(cc3)OC	28
+CC(C)N(S(=O)(=O)c1ccc2N(CCOc2c1)C)Cc3c(nc4c(cccc4C)c3)O	92
+c1cc(ccc1F)C(=O)N(Cc2c(OCCCCCC(OCC)=O)cccc2)C(C)C	30
+c1cc(ccc1Br)C(=O)N(Cc2ccccc2O)C(C)C	30
+CC(C)NCc1cccc(c1)-c2cc(ccc2OC)N	0
+c1cc(ccc1OC(C(N(C(C)C)Cc2nc(-c3cccnc3)no2)=O)C)CCC	58
+FC(F)(F)C1=NN(C(=O)C1C)C(C)C	7877
+c12c(cccc1)C(=O)N(C2=O)CCCN(C(C)C)S(=O)(=O)c3ccccc3[N+]([O-])=O	831
+CC(C)Nc1cc(C(=O)O)c(cc1C(=O)N)C	1
+CC(C)Nc1c(ccc(c1)Br)C(OC)=O	272
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1C(=O)OCC	201
+CC(C)Nc1nc(SC)ncc1C(=O)O	6
+CC(C)Nc1c(c(ccc1)F)N	0
+CC(C)Nc1nc(CC)c(cc1N)Br	13
+CC(C)Nc1ccccc1N	0
+CC(C)Nc1c(cnc(c1)Nc2nc(N3CCC(CC3)OC)ncc2)N	13
+CC(C)N1c2cccc(c2NC1=O)F	1989
+CC(C)Nc1c(C(=O)N)cc(C)c(C(OC)=O)c1	216
+CC(C)N1C(=O)Nc2c1ccc(Cl)c2	1595
+CC(C)Nc1c(cc(cc1)Cl)N	0
+CC1(C)c2c(N(C1=O)CCCCC)cc(N)c(NC(C)C)c2	0
+c1ccccc1C(O)CN(CCc2ccc(cc2)-c3ccc(C(=O)OC)c(c3)NC(C)C)Cc4ccccc4	170
+C1CN(CCC1OC)c2nccc(Nc3ncc4c(n(c(CC)n4)C(C)C)c3)n2	730
+CC(C)N(C(=O)C1CCC(CC1N=[N+]=[N-])C)c2cc(-c3ccccc3)sc2C(=O)OC	1987
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1C(=O)O	6
+CC(C)Nc1cc(ncc1C(NC2CCC(CC2)=O)=O)Nc3cc4c(ncs4)cc3	97
+CC(C)Nc1ccn(n1)-c2nc3cc(OC)ccc3c(O)c2	4347
+CC(C)Nc1ccn(n1)-c2nc3c(ccc(c3)OC)c(Cl)c2	4348
+CC(C)Nc1n(C)c2ccc(cc2n1)N(c3ccnc(Nc4cc(c(Cl)cc4)S(=O)(=O)N)n3)C	55
+CC(C)Nc1nc2c(ccc(Nc3nc(ncc3)Cl)c2)n1C	73
+CC(C)Nc1n(c2c(n1)cc(N)cc2)C	0
+CC(C)Nc1nc(cc(n1)C#N)C	331
+CC(C)Nc1nc(cc(n1)C)C(OCC)=O	226
+CC(C)N1C(C(=Nc2cc(Br)c(CC)nc12)C)=O	7878
+CC(C)(c1ccc(-c2nc(NC(C)C)c3c(c2)N=CN(C)C3=O)cn1)O	1608
+CC(C)Nc1nc(ncc1C(=O)N)SC	2757
+CC(C)Nc1nc(C)cc(C(N)=NO)n1	7879
+CC(C)Nc1nc(C)cc(C(N)=O)n1	314
+CC(C)Nc1c(C(=O)N)cnc(n1)S(C)=O	3802
+CC(C)Nc1n(C)c2ccc(N(C)c3nc(Cl)ncc3)cc2n1	1121
+CC(C)Nc1c2c(cc(cc2)-c3c(C)ccc(c3)C(Nc4ccnn4CC)=O)cnn1	99
+CC(C)Nn1c2c(c(N)nc3cc(-c4cccc(NS(=O)(=O)C)c4)ccc23)nc1CCC	495
+CC(C)Nn1c(CCC)nc2c(nc3cc(Br)ccc3c12)N	461
+CC1(C)CCC(C)(C)C1C(O)=O	7880
+CN(C)C(=O)c1ccc(cc1)-c2cc(ccc2COC(C)C)NC(=O)C3(CC3)c4cc5OCOc5cc4	2638
+Clc1cccc(c1)-c2nnn(n2)C(C)CC(=O)O	7881
+FC(F)(F)Oc1cc(CC(=O)O)cc(Cl)c1	7882
+FC(F)(F)c1cccc(CNC(=O)c2cc(ncc2)-c3cc(OC(C)C)ccc3[N+](=O)[O-])c1	57
+CC(C)Oc1c(cnc(N)c1)C#N	2009
+CC(C)Oc1n[nH]c(N)c1	7883
+CC(C)OC(=O)CN1C(N(C(=O)N(C1=O)C)c2cc(c(cc2Cl)F)[N+](=O)[O-])=O	27
+CC(C)Oc1ccc(S(=O)(=O)C)cc1C(O)=O	556
+CC(C)Oc1n2c(ccc1)nc(-c3c(cccc3F)Cl)c2Nc4ccc5OCCOc5c4	7884
+CC(C)OC(=O)c1cnc[nH]1	1910
+CC(C)Oc1ccc(C(C)=O)cc1Cl	419
+CC(C)OC(c1cccnc1Cl)=O	342
+CC(C)OC(c1cccc(Cc2cc3c(C)c(-c4ccnc(N)n4)sc3cc2)c1)=O	47
+CC(C)Oc1cc(Cl)c(cc1[N+]([O-])=O)C	57
+CC(C)OC(c1cccc(Br)c1)=O	47
+CC(C)OC(Cc1c(cc(cc1)[N+](=O)[O-])[N+]([O-])=O)=O	204
+CC(C)Oc1cc(c(Br)cc1[N+]([O-])=O)C	20
+c1c(OC)c(c(cc1-c2nc(N)nc(OC(C)C)c2C#N)OC)OC	7885
+CC(C)Oc1cc(ccc1)CC(=O)OC	419
+CC(C)Oc1ncccc1[N+]([O-])=O	430
+CC(C)OC(=O)c1cc(c(N2CC(C2)C(NS(=O)(=O)Cc3ccccc3)=O)nc1C(F)F)C#N	7886
+CC(C)OC(=O)Nc1c(C)nnn1-c2ccc(cc2)Br	2907
+C1N(CC1C(c2cc(F)cc(C(=O)OC(C)C)c2)C(C)(C)F)C(c3cccc(c3)C#N)c4ccc(cc4)Cl	47
+C1CN(CCN1C(c2c(OC(C)C)ccc(c2F)S(=O)(=O)C)=O)c3ccc(cc3)C#N	57
+CC(C)n1cc([N+]([O-])=O)cn1	2010
+OB(O)c1ccc(C2CCC2)c(c1F)OC	579
+OB(O)c1ccc(OC(C)C)c(c1)OCC	1719
+OB(O)c1c(OCCC)c(cc(C(C)C)c1)C(C)C	281
+CC(C)C1=CCC(C)(C)c2cc(c(B(O)O)cc12)C	281
+OB(O)c1cc2c(ccc(Cl)c2)o1	7887
+CC(C)OB(OC(C)C)c1cc(c(cc1)OCCOC2CCCCO2)C(F)(F)F	585
+FC(F)(F)c1c(OCOCCOC)ccc(B(O)O)c1	281
+CC(C)OB(OC(C)C)c1cc(c(cc1)OCCCOC2CCCCO2)C(F)(F)F	585
+FC(F)(F)c1cc(B(O)O)ccc1OCCCOC2CCCCO2	281
+FC(F)(F)c1c(cncc1)B(O)O	2639
+OB(O)c1c(cc(c(c1)Cl)-c2cc(ccc2)F)OC	1719
+OB(O)c1c(C)c(OCOC)ccc1	281
+c1c(C)c(c(cc1OCOC)C)B(O)O	281
+c1(cc(cc(OC)c1Cl)B(O)O)OC	281
+OB(O)c1c(cccc1)-c2c(ccc(c2)Br)OC	1719
+OB(O)c1cc2c(cccc2s1)C(O)=O	7888
+OB(O)c1ccc(C#N)c(c1)OC	281
+OB(O)c1ccc(c(OCC)c1)Cl	281
+OB(O)c1ccc2cc(ccc2c1)-c3c4ccccc4c5ccccc5c3	281
+OB(O)c1cc(C#N)ccc1OC	281
+c1ccccc1COc2ccccc2-c3ccccc3B(O)O	281
+CC(C)OB(OC(C)C)c1ccc(cc1)-c2cc3c(c4ccccc24)cccc3	585
+c1cc(ccc1B(O)O)-c2ncccc2	281
+CC(C)(c1ccc(cc1)B(O)O)C(=O)O	281
+c1cc(ccc1B(O)O)CCN2C(C)CCC2	281
+OB(O)c1cc(ccc1F)I	1509
+c1cc(ccc1Nc2ccc(B(O)O)cn2)Cl	2639
+OB(O)c1ccc(cc1)Oc2ccccc2F	1719
+OB(O)c1cccc(c1)-c2cc3ccccc3cc2	281
+c1ccccc1Oc2cc(c(cc2)B(O)O)F	281
+OB(O)c1ccc(cc1Cl)-c2cncc(C)n2	1719
+OB(O)c1cc2c(c(F)c1)-n3c(CC2)nnc3C	281
+OB(O)c1cc(OC)cnc1F	2698
+CC(C)(C)[Si](C)(C)Oc1ccc(B(O)OC(C)C)cc1C2CCCCC2	579
+FC(F)(F)c1cc(ccc1OCCCOC2CCCCO2)B(OC(C)C)O	579
+FC(F)(F)c1cc(B(OC(C)C)O)ccc1OCCOC2CCCCO2	579
+CC(C)OB(O)c1c(c(OC)c(C2CCC2)cc1)F	579
+c1cc(ccc1B(OC(C)C)O)-c2c3ccccc3c4c(cccc4)c2	579
+CC(C)(C)[Si](C)(C)OC(CCc1cnccc1)C(Oc2ccc(cc2)B(OC(C)C)O)C	579
+c1([nH]c2c(cc(cc2)F)c1C)CCC(=O)O	887
+CC(C)OC(CN1C(N(C(N(C)C1=O)=O)c2c(cc(c(N3C(c4c(C3=O)c(F)ccc4)=O)c2)F)Cl)=O)=O	668
+CC(C)OC(=O)CN1C(=O)N(c2c(cc(F)c(N)c2)Cl)C(N(C1=O)C)=O	0
+C(Oc1ccc(c(c1F)NCc2cc(-c3cc(ccc3)F)cc(F)c2C)F)C(=O)O	887
+CC(C)OC(=O)COc1cccc(CN(CCCCn2c(CCOC)nc3c2c4c(cccc4)nc3N)CCN(C)C)c1	48
+CC(C)OC(N(C)CCCNc1nn2c(cc1)ncc2Br)=O	232
+CC(C)OC(=O)N1c2cc(c(cc2N(C(C1)C)C(C)=O)[N+](=O)[O-])-c3ccc(cc3)S(=O)(=O)C	99
+c1cc(ccc1S(=O)(=O)C)-c2cc3N(CC(N(c3cc2N)C(C)=O)C)C(=O)OC(C)C	0
+c1c(cc2c(c1)N(C(C)CC2N)C(=O)C)Br	4350
+c1cc(ccc1-c2ccc(cc2)-n3c(c(C)nn3)NC(OC(C)C)=O)C4(CC4)C(OC)=O	99
+c1(F)cc(cc(F)c1C=O)NC(=O)OC(C)C	151
+FC(F)(F)C(=O)N1CCC(CC1)c2ccc(cc2)C(c3c(cc4cc(C(=O)OC(C)C)ccn34)CCCC)=O	4351
+c12c(cc(cc1)CO)ncn2-c3cccc(c3)Br	7889
+CC(C)OC(=O)c1cccc(c1)C#Cc2cc(c(cc2)CC(O)=O)F	3
+CC(C)OC(=O)c1n(cnc1)C2c3c(CCC2)c(cc(Br)c3)F	7890
+CC(C)OC(c1c(nc(O)c(C#N)c1)C)=O	2908
+CC(C)OC(=O)COc1c(c(c(F)cc1)NCc2c(c(F)cc(c2)-c3cccc(c3)F)C)F	52
+c1cc(cc2c1CCCC2Nc3cc(OCC(=O)O)ccc3)-c4cc(ccc4)F	887
+CC(C)OC(COc1cccc(c1)N=C2CCCc3ccc(cc23)-c4cccc(F)c4)=O	7891
+CC(C)OC(COc1cc(ccc1)NC2CCCc3ccc(cc23)-c4cccc(c4)F)=O	7892
+FC(F)(F)C(NCCCN(C)C(OC(C)C)=O)=O	66
+FC(F)(F)c1c(cc2C(=O)CC(N(C(=O)OC(C)C)c2c1)C)F	1199
+CC(C)OC(Nc1c(c(ccc1)F)C(OC)=O)=O	90
+c1(nc(nc(N)c1NC(=O)OC(C)C)-n2c3c(c(Cc4ccccc4F)n2)ncc(F)c3)N	7893
+CC(C)OC(Nc1cc(-c2[nH]c3ncc(cc3n2)Br)c(Cl)cc1)=O	90
+CC(C)OC(=O)Nc1cc(F)cc(F)c1	90
+CC(C)OC(Nc1c(C(OC)=O)ccc(Br)c1)=O	90
+CC(C)OC(N1c2c(N(C(C1)C)C(C)=O)ccc(Br)c2)=O	1199
+c1cc(ccc1CN)-c2n3nc(NCCCN(C)C(OC(C)C)=O)ccc3nc2	1414
+CC(C)OC(=O)N1c2cc(c([N+](=O)[O-])cc2N(C(C)=O)C(C)C1)Br	31
+c1cc(ccc1-c2cc3c(cc2)N(C(=O)C)C(C)CC3N)C(=O)OCC	4350
+CC(C)OC(=O)N(c1cccc(F)c1C(OC)=O)CCCC(OCC)=O	7894
+CC(C)OC(=O)c1cccnc1N2CCC(N(CC)Cc3sc(c(C)c3)C)C2	509
+CC(C)OC(=O)c1cccnc1N2CC(CC2)N(Cc3cccc(c3)CC)C	48
+CC(C)OC(=O)c1cc(C#N)c(nc1C)Cl	137
+CC(C)OC(=O)c1c(N2CCC(NCc3cccc(CC)c3)C2)nccc1	42
+C[Si](C)(C)C#Cc1cccc(C(=O)OC(C)C)c1	263
+CC(C)OC(=O)c1cccc(c1)C#Cc2cc(F)c(CC(OCC)=O)cc2	129
+CC(C)Oc1c(cc(C(=O)O)cn1)Cl	7895
+CC(C)OC1CC=C(c2c(C)c(C(=O)O)no2)CC1	6
+CC(C)OC1CCC(CC1)N2CCC(CC2)Nc3cc(c(F)cc3[N+](=O)[O-])C	60
+CC(C)OC1CCC(CC1)N2CCC(CC2)Nc3c(cc(c(c3)C)F)N	0
+CC(C)OCC(CC)OCC(CC)O	850
+FC(F)(F)C(=O)OC(CC)COC(CC)COC(C)C	4352
+CC(C)OCCCNc1c2ccc(cc2ncc1[N+](=O)[O-])Br	105
+CC(C)OCCCn1c(nc2c1c3ccc(Br)cc3nc2)COCC	546
+CC(C)OCCCNc1c2ccc(cc2ncc1N)Br	13
+CC(C)OCCCn1c2c3c(cc(N4C(C=CC=C4)=O)cc3)nc(N)c2nc1COCC	7896
+CC(C)OCCCn1c(nc2c1c3c(nc2N)cc(Br)cc3)COCC	461
+CC(C)OCCCn1c(nc2c(N)nc3c(ccc(N4CCCC4=O)c3)c12)COCC	461
+c12c(C(=O)N(C1=O)OCCCOCOC(C)C)cccc2	1395
+CC(C)ON=C(C(NC1C2SCC(CSc3nnnn3C)=C(N2C1=O)C(=O)O)=O)c4nc(sc4)N	999
+CC(C)Oc1c2cc[nH]c2ncc1	624
+n1c(cn(CCCCCCCC(OC)=O)c1)-c2ccccc2O	1206
+c1ccccc1-n2c(c(OC(C)C)c(Br)c2Br)C(O)=O	6
+c1cc(ccc1C(OC)OC)-c2nc(-c3cc(Br)c(OC(C)C)cc3)no2	1416
+FC(F)(F)C(Nc1ccc(OC(C)C)c(Br)c1)=O	759
+CC(C)Oc1c(ccc(OCC)c1)Br	116
+CC(C)Oc1c(Br)ccc2oc(C(O)=O)c(C)c12	6
+CC(C)Oc1c(ccc2c1c(c(CO)o2)C)Br	2184
+CC(C)Oc1c(C#N)cc(-c2onc(-c3ccc(cc3Cl)OCCCCN(C)C)n2)cc1	28
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3cccc4c3CCC4N5CC(C5)O)cc1	7897
+CC(C)Oc1c(C#N)cc(-c2onc(-c3cccc4C(NCC(CCl)O)CCc34)n2)cc1	122
+CC(C)Oc1c(C#N)cc(-c2onc(-c3c4c(C(NCCS(=O)(=O)C)CC4)ccc3)n2)cc1	4353
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(s2)-c3c(c(ccc3)CCC(=O)OCC)CC	159
+C[Si](C)(C)CCOCOc1cc(c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)cc1)Cl	529
+C[Si](C)(C)CCOCOc1ccc(cc1)-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2	910
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3c4c(C(O)CCC4)ccc3)cc1	529
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(-c3c(CC)c(CCC=O)ccc3)s2	578
+CC(C)Oc1c(c(c(OCc2ccccc2)cn1)C(=O)OC)C	128
+CC(C)Oc1cc(-c2cn(nc2)C)c3ccnc(O)c3c1C	320
+CC(C)Oc1ccc(c(c1Cl)COS(=O)(=O)C)Cl	7
+CC(C)Oc1ccc(cc1Cl)-c2c(C=O)cn(n2)C3OCCCC3	1196
+CC(C)Oc1ncc(OCc2cc(F)c(cc2F)C(OCC)=O)cc1Cl	483
+CC(C)Oc1ncc(Oc2c(cc(cc2)C#N)Br)cc1Cl	551
+CC(C)Oc1c(Cl)cc(F)c(N2C(C3=C(CCC3)N(C)C2=O)=O)c1	7898
+CC(C)Oc1c(Cl)cc(c(N2C(C3=C(NC2=O)CCC3)=O)c1)F	7899
+CC(C)Oc1ccc(cc1I)C(=N)NO	181
+CC(C)Oc1c(cc(I)cc1)OCC	116
+CC(C)Oc1c(O)cc(I)cc1	173
+CN(C)CCOc1ccc([N+]([O-])=O)c(OC(C)C)c1	57
+CC(C)Oc1ncc(O)c(c1C)C(=O)OC	321
+c1ccccc1COc2c(c(C)cc(n2)C)CN3CCc4cnc(c(c4C3=O)Cl)OC(C)C	4354
+CC(C)Oc1c(cc(cc1)-c2ncc(cn2)-c3c(c(ccc3)OCCCC(=O)OCC)CC)C#N	1207
+CC(C)Oc1ccc(C#C)cc1C(NC(CO)Cc2c[nH]c3ccccc23)=O	14
+CC(C)Oc1ncc(cc1Cl)-c2onc(-c3cncc4[nH]ccc34)n2	7900
+CC(C)Oc1ncc(-c2onc(-c3c(cc4c(cn[nH]4)c3)F)n2)cc1Cl	1828
+CC(C)Oc1ncc(-c2nc(-c3cc4c(n(CCCC(=O)OCC)nc4)cc3C)no2)cc1Cl	7901
+COc1c(cc(C(=O)C)c(I)c1)O	1206
+O=S(=O)(c1c(Nc2nc(Nc3c(OC(C)C)cc(c(Br)c3)C)ncc2C)cccc1)C(C)C	55
+c1cc(ccc1CCC)-c2nc(-c3cc(I)c(OC(C)C)cc3Cl)no2	2185
+CC(C)Oc1cc(c(I)cc1OC)C(O)C	4355
+CC(C)Oc1c(cc(cc1)-c2ncc(cn2)-c3c(c(ccc3)OCCCC(O)=O)CC)C#N	3
+CC(C)Oc1c(cc(C#C)cc1)C(O)=O	1
+CC(C)Oc1ccc(cc1Cl)-c2onc(c2)C(=O)OCC	1208
+CC(C)Oc1ccc(cc1C(=O)NC(CO)Cc2c[nH]c3ccccc23)I	14
+CC(C)Oc1cc(ccc1C#N)OCC	160
+CC(C)Oc1c2c(ccc1OC)C(CCC2)=O	1720
+CC(C)Oc1c2c(C)c(oc2ccc1Br)CCl	7902
+CC(C)Oc1c(OC(C)=O)cc(cc1)I	694
+c1ccccc1OC(Nc2ncc(c(OC(C)C)c2)C#N)=O	278
+O(C)c1c2-c3c(O)cccc3C(=O)c2ccc1	1206
+c1cc(ccc1S(=O)(=O)n2c3c(c(OC(C)C)ccn3)c(c2)I)C	276
+CC(C)Oc1c2c(C(CCC2)=C)ccc1OC	1707
+CC(C)Oc1c2c(c[nH]c2ncc1)I	1361
+CC(C)Oc1c(C)c2c(c(c1)Br)ccnc2O	7903
+CC(C)Oc1c(c2c[n+]([O-])ccc2c(Br)c1)C	103
+CC(C)Oc1cc(C(O)=O)cc(c1)Br	329
+CC(C)Oc1cc(C(=O)Nc2ccc(cn2)C(O)=O)cc(OCC(C)C)c1	1
+O=S(=O)(c1ccccc1S(=O)(=O)N)NC(=O)c2ccc(c(OC(C)C)c2)Br	258
+CC(C)Oc1cc(C(=O)O)ccc1Br	1
+CCOP(OCC)(c1sc(C(c2cc(cc(C(O)=O)c2)OC(C)C)O)cc1)=O	7904
+CC(C)Oc1ccc(CO)c(c1)C	41
+CC(C)Oc1cc(c(cc1OC)Br)C(O)C	4355
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2C)[N+]([O-])=O)OC(C)C	632
+c1cc(ccn1)-c2cc(OC(C)C)c(cc2C)[N+]([O-])=O	7905
+COc1cc(Br)c(cc1O)C(=O)C	1206
+CC(C)Oc1c(cc(c(C)c1)Br)N	0
+CC(C)Oc1c(Cl)cc(c(NC(=O)NC=2CCCC=2C(OCC)=O)c1)F	7906
+CC(C)Oc1c(cc(I)c(C(=O)C)c1)OC	155
+CC(C)Oc1ccc(CN2Cc3ccc(cc3CC2)C(C)NC(=O)C)c(C)c1	131
+CC(C)Oc1cc(c(Br)cc1OC)C(C)=O	155
+CC(C)Oc1c(cc(c(c1)C2=CCC(CC2)N(C)C)C)[N+]([O-])=O	7907
+CC(C)Oc1cc(Br)c2c(c1C)c(OC(=O)C)ncc2	174
+CC(C)Oc1cc(cc(c1)C(Nc2ccc(cn2)C(=O)OC)=O)O	16
+CC(C)Oc1cc(ccc1)C(=O)COc2ccc(cc2)-c3cc(OCOC)no3	702
+c1cc(ccc1OCC(O)c2cccc(OC(C)C)c2)-c3cc(OCOC)no3	74
+O=S1(=O)NCC2(CC(C)N(Cc3cccc(OC(C)C)c3)CC2)N1c4cccc(c4)F	131
+CC(C)Oc1cccc(CCO)c1	95
+CC(C)Oc1c(N)ccc(c1)N2CCC3(N(CCC3)CC)C2	0
+O=S(=O)(c1ccc(cc1)C)OC(CC=Cc2cncc(c2)OC(C)C)C	36
+CC(C)Oc1nn(c(c1)CCC(=O)NS(=O)(=O)C(C)C)Cc2c(cc(cc2)Cl)Cl	344
+CC(C)Oc1ccc(-c2nc(no2)-c3cccc(c3CC)CCC(=O)O)cc1Cl	3
+CC(C)Oc1ccc(-c2nc(-c3cccc4ccn(c34)C)no2)cc1Cl	7908
+CC(C)Oc1ccc(-c2nc(no2)-c3ccc(OCC(OCC)=O)c4c3occ4)cc1Cl	52
+CC(C)Oc1ccc(-c2nc(-c3ccc(OCCCC(=O)OCC)c4c3occ4)no2)cc1Cl	8
+CC(C)Oc1ccc(-c2nc(-c3ccc(c4c3occ4)OCCCC(=O)O)no2)cc1Cl	3
+CC(C)Oc1ccc(-c2nc(no2)-c3c4n(C)cc(C=O)c4ccc3)cc1Cl	287
+CC(C)Oc1ccc(-c2nc(-c3c(c(CCC(=O)OCC)ccc3)CC)no2)cc1Cl	7909
+CC(C)Oc1ccc(-c2onc(-c3cccc4c(CNCCC(=O)OCC)cn(C)c34)n2)cc1Cl	249
+CC(C)Oc1ccc(-c2nc(no2)-c3c4c(c(cc3)OCC(O)=O)cco4)cc1Cl	3
+c1(c(cc(-c2nc(on2)-c3cc(c(cc3)OCCC)Cl)cc1)I)O	1206
+CC(C)Oc1ccc(-c2onc(-c3cccc4c(CNCCC(=O)O)cn(C)c34)n2)cc1Cl	3
+CC(C)Oc1ccc(-c2onc(-c3cccc4c3n(cc4CN5CCC(CC5)C(=O)O)C)n2)cc1Cl	3
+c1cc(ccc1C#Cc2ccc(c(C(=O)NC(CO)Cc3c[nH]c4ccccc34)c2)OC(C)C)C(=O)O	129
+CC(C)Oc1ccc(cc1C(O)=O)C#Cc2ccccc2OC	1
+CC(C)Oc1ccc(cc1Cl)-c2nc(-c3c4c(ccc3)n(CCC(=O)OCC)nc4)no2	7910
+C[Si](C)(C)CCOCOc1c2ccoc2c(-c3noc(n3)-c4cc(Cl)c(cc4)OC(C)C)cc1	7911
+CC(C)Oc1ccc(-c2nc(no2)-c3c(c(ccc3)Br)CC)cc1Cl	529
+CC(C)Oc1c(cc(C(=O)O)cc1)C	1
+CC(C)Oc1c(cc(cc1)C(CC(C(OCC)=O)=O)=O)Cl	633
+CC(C)Oc1ccc(COc2ccc3c(c(c4C(CC(=O)O)CCn34)Cl)c2)cc1C#N	573
+CC(C)Oc1c(Cl)c(c(cc1)Cl)CO	49
+CC(C)Oc1ccc(Cl)c(c1Cl)C(O)=O	634
+CC(C)Oc1cc2c([nH]nc2N)cc1	7912
+C1CN(CCC1=Cc2cc(Oc3ccc(cn3)OC(C)C)ccc2)C(=O)Nc4nnccc4	437
+CC(C)Oc1c(cc(S(=O)(=O)C)cc1)C(N2Cc3c(c(F)ccc3)C2)=O	7913
+CC(C)Oc1ccc(cc1C(N2CC(OS(=O)(=O)C)CC2)=O)S(=O)(=O)C	7
+CC(C)Oc1ccc(cc1C(N2CCC(Oc3c(cc([N+](=O)[O-])cc3)F)C2)=O)S(=O)(=O)C	20
+CC(C)Oc1ccc(cc1C(N2CCC(Oc3c(cc(cc3F)C(=O)CC)F)C2)=O)S(=O)(=O)C	20
+FC(F)(F)c1cccc2c1CN(CC2)C(c3cc(S(=O)(=O)C)ccc3OC(C)C)=O	30
+CC(C)Oc1ccc(S(=O)(=O)C)cc1C(=O)N	169
+CC(C)Oc1ccc(N)c(C#N)c1	0
+CC(C)Oc1ccc(cc1)-c2cc(cc(n2)-c3ncccc3)F	4356
+c1cc(ccc1-n2c(C(=O)OCC)c(c3cc(-c4ccc(cc4)OC(C)C)ccc23)Br)OC(C)C	1194
+O=S(=O)(c1c(Cl)ccc(Cl)c1)Nc2ccc(c(c2)-c3nc4cc(-c5ccc(cc5)OC(C)C)ccc4o3)Cl	69
+CC(C)Oc1ccc(cc1)-c2cc3c(cc2)oc(n3)-c4cc(N)ccc4Cl	0
+CC(C)Oc1c(Br)cc(cc1)N	0
+O=S(=O)(c1cc(C(=O)N2CCC(Oc3ccc4ccccc4c3)C2)c(cc1)OC(C)C)C	624
+c1ccccc1C#Cc2cc(C(NC(C(OC)=O)(Cc3c4c([nH]c3)cccc4)C)=O)c(OC(C)C)cc2	259
+CC(C)Oc1c(C(=O)NC(CO)Cc2c3ncccc3[nH]c2)cc(cc1)C#Cc4ccccc4OC	14
+CC(C)Oc1c(cc(cc1)I)C(O)=O	1
+CC(C)Oc1ccc(C#Cc2ccccc2OC)cc1C(=O)OC	129
+c1ccccc1C#Cc2ccc(OC(C)C)c(C(=O)OC)c2	129
+CC(C)Oc1c(cc(cc1)-c2c(C=O)cn[nH]2)Cl	747
+CC(C)Oc1ccc(-c2cc(no2)COc3ccc(cc3)C#N)cc1Cl	20
+CC(C)Oc1ccc(-c2cc(C(O)=O)no2)cc1Cl	6
+CC(C)Oc1ccc(cc1Cl)-c2cc(no2)CO	194
+CC(C)Oc1ccc(-c2noc(-c3cc(Cl)c(cc3)OCCC)n2)cc1I	529
+O=S(=O)(c1c(OC(C)C)ccc(-c2ccc(C(NC)=O)c(c2)Cl)c1)NC(Cc3c[nH]c4c3cccc4)CO	11
+CC(C)Oc1cnc(cc1)C=O	178
+CC(C)Oc1ccc(nc1)CO	59
+CC(C)Oc1cccc(c1)CC=O	24
+CC(C)Oc1cc(C)c(cc1)C=O	151
+CC(C)Oc1cc(ccc1)CC(O)C	2700
+c1ccccc1-c2c3cccc(OC(C)C)c3nc(C)n2	198
+CC(C)Oc1c2-c3c(cccc3OC)C(c2ccc1)=O	7914
+CC(C)Oc1c(cccc1)OC(=O)C	385
+CC(C)Oc1ccc(C(C)=O)nc1	955
+CC(C)Oc1cnc(cc1)C(O)C	4224
+CC(C)Oc1cc(cnc1)C=CCC(C)O	1514
+CC(C)Oc1n[nH]c(Nc2c(cnc(Cl)n2)[N+]([O-])=O)c1	349
+CC(C)Oc1n[nH]c(Nc2nc(Cl)ccc2[N+](=O)[O-])c1	346
+n1cc(cnc1C(C)Nc2ncc3c(n2)n(-c4n[nH]c(c4)OC(C)C)cn3)F	2610
+CC(C)Oc1cc(n[nH]1)-n2c3c(cnc(NC(c4ccc(F)cn4)C)n3)nc2	2610
+CC(C)Oc1n[nH]c(Nc2c([N+](=O)[O-])cnc(n2)NC(c3ccc(F)cn3)C)c1	96
+CC(C)Oc1n[nH]c(Nc2c([N+](=O)[O-])cnc(NC(C)c3ncc(cn3)F)n2)c1	96
+CC(C)Oc1cc([nH]n1)Nc2c(ccc(n2)NC(C)c3ncc(F)cc3)[N+]([O-])=O	70
+CC(C)Oc1ncc(-c2nc(-c3cc4c(n(CCCC(O)=O)nc4)cc3C)no2)cc1Cl	3
+CC(C)Oc1ncc(-c2onc(-c3cc4c(cc3F)n(nc4)CCCC(=O)OCC)n2)cc1Cl	1090
+CC(C)Oc1ncc(-c2onc(-c3cc4cnn(CCCC(O)=O)c4cc3F)n2)cc1Cl	3
+CC(C)Oc1ncc(OCc2c(cc(c(F)c2)C(=O)O)F)cc1Cl	6
+CC(C)Oc1ncc(Oc2c(-c3c(nccc3)OC)cc(cc2)C(=O)N)cc1Cl	216
+CC(C)Oc1ncc(Oc2ccc(C(=O)NS(=O)(=O)C)cc2-c3c(nccc3)OC)cc1Cl	4358
+CC(C)Oc1ncc(Oc2c(-c3c(nccc3)OC)cc(C#N)cc2)cc1Cl	305
+CC(C)Oc1ncc(cc1Cl)-c2nc(no2)-c3cncc4n(ccc34)CCCC(O)=O	3
+CC(C)Oc1ncc(cc1Cl)-c2nc(no2)-c3cncc4n(ccc34)CCCC(=O)OCC	7915
+CC(C)Oc1ncccc1Nc2ncnc3sc(c(C)c23)C(OC)=O	4359
+CC(C)Oc1ncccc1Nc2c3c(C)c(sc3ncn2)C(=O)O	1
+CC(C)Oc1ncccc1N	13
+CC(C)Oc1cc(n(n1)Cc2c(cc(cc2)Cl)Cl)CCC(=O)O	3
+CC(C)Oc1nn(Cc2c(cc(cc2)Cl)Cl)c(CCC(OCC)=O)c1	1253
+CC(C)Oc1nn(c(C=O)c1)Cc2ccc(cc2Cl)Cl	178
+CC(C)Sc1nc(C(OCC)=O)ccn1	1721
+CC(C)Sc1c(cc(cc1)[N+](=O)[O-])C=O	972
+CC(C)Sc1c(cc([N+]([O-])=O)cc1F)C=O	411
+CC(C)Sc1ccccc1C=O	411
+O=S(=O)(C(C)C)NC(c1ccc(cc1)Oc2cc(N3N=C(N(C3=O)C(F)F)C)c(F)cc2Cl)=O	2909
+CC(C)S(=O)(=O)NC1CCCCC1(O)c2ccc(cc2)OC	1035
+c1cc(ccc1-c2ccc(cc2)CC#N)C3CCCC3NS(=O)(=O)C(C)C	756
+c1cc(ccc1-c2ccc(cc2)C#N)C3CCCC3NS(=O)(=O)C(C)C	134
+CC(C)S(=O)(=O)NC1CCCC1c2ccc(cc2)N	0
+CC(C)S(=O)(=O)NC1C(CCC1)c2ccc(cc2)I	184
+CC(C)S(=O)(=O)NC1C(CCC1)c2ccc(cc2)[N+]([O-])=O	77
+C1CC(CCC1NS(=O)(=O)C(C)C)CNc2scc(-c3cccc(Br)n3)n2	3282
+O=S(=O)(NC1C(CCC1)=O)C(C)C	86
+CC(C)S(=O)(=O)NC1CCCC1c2ccc(cc2)NS(=O)(=O)C	80
+CC(C)S(=O)(=O)NC1C(=O)CCCC1	86
+c1cc(ccc1-n2nccc2NS(=O)(=O)C(C)C)Br	4360
+CC(C)S(=O)(=O)Nc1c(C(=O)O)cnn1-c2ccc(cc2)Br	6
+O=S(=O)(c1cc(C#N)ccc1C=O)C(C)C	2910
+CC(C)S(=O)(=O)c1ccccc1Nc2nc(ncc2Cl)Cl	73
+O=S(=O)(c1ccccc1Nc2nc(ncc2C)Cl)C(C)C	73
+CC(C)S(=O)(=O)c1ccccc1Nc2cc(ncc2Cl)Nc3c(cc(-c4ccc(cc4)C(OC)=O)c(c3)C)OC	7916
+CC(C)c1nc2c(n1-c3cccc(Oc4cc(S(=O)(=O)C(C)C)ccc4)c3)cccc2Cl	46
+CC(C)S(=O)(=O)c1ccccc1Nc2nc(Nc3cc(P(C)(C)=O)ccc3OC)ncc2Cl	55
+CC(C)SCCCCCCCCCCCC(=O)Nc1ccccc1OCCCC(=O)N	728
+CC(C)SCCCCCCCCCCCC(=O)Nc1ccccc1OCCCC(OCC)=O	33
+CC(C)Sc1c(C=C)cc(cc1)[N+]([O-])=O	443
+CC(C)Sc1ccccc1C=C	443
+c1cc(ccc1)C(=O)Oc2cc(Cl)c(c(c2)Cl)OCCCOc3ccc(cc3)-n4c(SC(C)C)nnn4	20
+c1cc(ccc1OCCC(Br)O)-n2c(nnn2)SC(C)C	1791
+CC(C)Sc1nc(ccn1)CO	194
+Fc1cc(cc(F)c1OCc2ccnc(SC(C)C)n2)CCC(=O)OCC	20
+c1cc(ccc1OC)COc2cc(C(O)C(C)C)c(-c3cc(ccc3F)OC)cc2	4257
+CC1(C)Oc2cc(OC)c(cc2C(=C1)C(C)C)Br	2911
+CC1(C)c2c(cc(Br)c(C)c2)C(CC1)(C(C)C)O	7917
+CC(C)C(O)c1cc(C)c(cc1O)OC	4362
+CC(C)C(O)c1cc(Br)ccc1O	4362
+CC(C)[SiH](C(C)C)c1c(cc(cc1C)OCCCOC2CCCCO2)C	7918
+CC(C)[SiH](C(C)C)c1c(C)cc(cc1C)OCCC(=O)NCc2ccccc2	9
+CC(C)[SiH](C(C)C)c1c(C)cc(cc1C)OCCCO	168
+c1nc(NC2c3c(ccc(c3)C#C)N(C(C)C2)C(=O)C)ccc1C	7919
+CC(C)[Si](C(C)C)(C(C)C)C#Cc1ccc2N(C(C)CC(c2c1)Nc3ccc(cn3)C)C(=O)C	340
+CC(C)[Si](C(C)C)(C(C)C)c1cccc(c1C(=O)N(CC)CC)Cl	1091
+CC(C)[Si](C(C)C)(C(C)C)OCCc1cc(F)cc(F)c1	19
+CC(C)[Si](C(C)C)(C(C)C)OCc1c(N)ncc(Br)c1	19
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(c(ccc1)[N+]([O-])=O)N	154
+CC(C)[Si](C(C)C)(C(C)C)n1c2c(c(C=O)c1)cccn2	7920
+CC(C)[Si](C(C)C)(C(C)C)c1cc(ccc1)-c2ccccn2	1803
+CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)ccc12	7921
+CC(C)[Si](C(C)C)(C(C)C)OCCCC(O)COCc1ccccc1	19
+CC(C)[Si](C(C)C)(C(C)C)OCC(COCc1ccc(cc1)Br)C	19
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)Br	19
+CC(C)[Si](C(C)C)(C(C)C)OCC#Cc1cc2OCCN3c2c(c1)C(=O)C(C(NCc4ccc(cc4)Cl)=O)=C3	4177
+CC(C)[Si](C(C)C)(C(C)C)Oc1cccc2[nH]ccc12	154
+CC(C)[Si](C(C)C)(C(C)C)OCC(c1ccccc1)C(Nc2cc3c(cncc3)cc2)=O	33
+CC(C)[Si](C(C)C)(C(C)C)OCC(C(=O)O)c1ccccc1	4
+c1cc(ccc1)C(CO)C(Nc2ccc3c(c2)ccnc3)=O	1209
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)CC(OC)=O	774
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)=CC(=O)OC	1513
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)CC(=O)N2C(COC2=O)Cc3ccccc3	2912
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)CC(=O)O	4
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)=O	86
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCN(C1)c2nnc3n2cc(cc3)OC4CCC(c5c4cccc5)N	870
+c1ccccc1COCC(OS(=O)(=O)C)CCCO	1209
+CC(C)[Si](C(C)C)(C(C)C)OCCCC(COCc1ccccc1)OS(=O)(=O)C	7
+CC(C)[Si](C(C)C)(C(C)C)OCCN1CCN(CC1)c2nnc3ccc(OC4CCC(c5c4cccc5)N)cn23	870
+CC(C)[Si](C(C)C)(C(C)C)OCCc1cc(F)c(c(c1)F)C=NOCC	135
+Fc1cc(cc(F)c1C=NOCC)CCO	1209
+CC(C)[Si](C(C)C)(C(C)C)OCCc1cc(F)c(c(F)c1)C=O	151
+CC(C)[Si](C(C)C)(C(C)C)OCc1c2nccn2cc(Br)c1	4363
+o1c(cc(CO)c1C)C(=O)OC	1209
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)C(O)c2cc(ccc2)C#N	257
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)C(CNC(OC(C)(C)C)=O)C(=O)Nc2ccc(C(=O)N)c(F)c2	33
+CC(C)(C)OC(=O)NCC(c1ccc(cc1)CO)C(=O)Nc2ccc(C(=O)N)c(F)c2	1209
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)C(c2cc(ccc2)C#N)OC3OCCCC3	219
+c1cc(ccc1CO)C(c2cc(ccc2)C#N)OC3OCCCC3	1209
+CC(C)[Si](C(C)C)(C(C)C)OCc1nonc1C=2N(c3ccc(c(c3)Cl)F)C(ON=2)=O	7922
+O=C1N(C(=NO1)c2c(non2)CO)c3cc(Cl)c(F)cc3	1209
+CC(C)[Si](C(C)C)(C(C)C)OCC1CN(CC1)c2n3cc(ccc3nn2)F	655
+CC(C)[Si](C(C)C)(C(C)C)n1ccc(c1-c2ccc(cc2)F)-c3ccncc3	7923
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=O)F	24
+CC(C)[Si](C(C)C)(C(C)C)Oc1cccc2nc(cnc12)O	7924
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(N)c(ccc1)N	0
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(F)cc(cc1F)CC(CO)CCc2ccc(cc2)C#N	21
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F	1992
+c1c2c(cccc2O)n(-c3ccnc(SC)n3)c1	7925
+CC(C)[Si](C(C)C)(C(C)C)Oc1c2ccn(-c3nc(SC)ncc3)c2ccc1	2186
+FC(F)(F)c1cc(-c2ocnc2)cc(N3CCN(CC3)C(C)=O)c1	7926
+CC(C)[Si](C(C)C)(C(C)C)c1oc(-c2cc(cc(C(F)(F)F)c2)N3CCN(CC3)C(C)=O)cn1	7927
+CC(C)[Si](C(C)C)(C(C)C)n1cc(c2c1nccc2)C(O)c3c(F)nc(NCc4ccccc4Cl)cc3	7928
+CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(cccc12)N(C(CNC)=O)c3ccccc3	402
+Clc1c2cc[nH]c2ncc1Br	1723
+c1(F)c2cc[nH]c2ncc1Br	1723
+c1cc(ccc1-c2c(-c3cc(F)ncc3)c(C4=CCN(C(OCC=C)=O)CC4)c[nH]2)F	7929
+c12c(C(c3c(F)nc(cc3)NCc4c(Cl)cccc4)O)c[nH]c1nccc2	1723
+C1COCCN1Cc2c[nH]cc2	7930
+c1ccccc1N(C(=O)CNC)c2c3cc[nH]c3ccc2	7931
+c1ccccc1COC(=O)c2cc3cc[nH]c3nc2	1723
+c1(F)c2cc[nH]c2ncc1Cl	1723
+CC(C)[Si](C(C)C)(C(C)C)n1c2ccc(C(C3(c4ccccc4)CN(C(=O)OC)CC3)O)cc2cc1	1482
+CC(C)[Si]1(C(C)C)O[Si](C(C)C)(C(C)C)OC2C(O)C(n3c4ncnc(N)c4c(C(N)=O)c3)OC2CO1	7932
+c1cc(ccc1)Cn2c3cc(ccc3c(C=O)c2C(C)C)C(OCC)=O	190
+CC(C)c1[nH]nc(c1Cc2c(OCc3ccccc3)cccc2)OC4OC(C(C(C4O)O)O)CO	59
+CC(C)c1c(c(OC2OC(C(C(C2O)O)O)CO)n[nH]1)Cc3ccccc3O	16
+c1ccccc1COc2ccc(-c3nc(ccc3)-n4c(ccc4C)C)c(C(C)C)c2	119
+CC(C)c1c(c2c(cc(C(O)=O)cc2)n1Cc3ccccc3)C(=O)NCc4cc(F)c(cc4)F	6
+CC(C)c1c(c2c(cc(cc2)CO)n1Cc3ccccc3)C(NCc4cc(F)c(cc4)F)=O	217
+CC(C)c1n(c2c(c1C(=O)NCc3cc(F)c(cc3)F)ccc(C(O)=O)c2)Cc4occn4	6
+c1cc(ccc1F)-n2c(CO)c(C(C)C)c(C(OC)=O)n2	629
+CC(C)c1c(C(=O)OC)c(c(CC)n1Cc2ccccc2)CCCC	4364
+CC(C)c1n(Cc2ccccc2)c(c(CCCC)c1C(=O)O)CC	1
+CC(C)c1c([nH]c(C)c1C(=O)OCC)I	3989
+CC(C)c1c(CO)c(c(C(=O)OCC)c(n1)C(C)C)-c2ccc(cc2)F	351
+CC(C)c1c(CO)cccn1	351
+c1c(Cl)c(c(cc1)Cl)SCc2c(c(C(C)C)on2)COC	1043
+CC(C)c1c(C(=O)O)n(-c2ccc(cc2)F)nc1C(=O)OC	426
+CC(C)c1nc(c(CO)c(-c2ccc(cc2)S(=O)C)c1C=CCCC)C(C)C	357
+CC(C)c1c(cc2OCOc2c1)CCO	21
+c1cc(ccc1F)-c2c(CCl)c(nc(C(C)C)c2C(OCC)=O)C(C)C	447
+CC(C)c1c(cccn1)CCl	1045
+CC(C)c1c(COc2cc(C)c(cc2)C=COC)n(nc1)-c3c(Cl)cccc3Cl	1417
+c1c(Cl)c(c(cc1)Cl)-c2c(c(on2)C(C)C)COc3cc(c(cc3)-c4cc5c(s4)cccc5C(=O)O)C	2187
+CC(C)c1cc(S(=O)(=O)Cl)ccc1Cl	4365
+CC(C)c1c(N)ncnc1N2CCC(c3n(cc(-c4cc(c(cc4)F)C)n3)CCO)C(F)C2	54
+Cc1cc(cc(C)c1Oc2nnc(Cl)c(C(C)C)c2)CC(OC)=O	1119
+Clc1cc(cc(Cl)c1Oc2cc(c(Cl)nn2)C(C)C)CCO	1119
+CC(C)c1c(N)ncnc1N2CCC(C(F)C2)c3n(CCNC)cc(-c4cc(c(cc4)F)C)n3	1130
+C1C(CC1)C(c2c(c(C(C)C)ccc2)O)(O)C	1033
+CC(C)c1cc(C(C)C)ccc1O	4366
+O=S(=O)(Oc1ccc(cc1C(C)C)OC)c2ccc(cc2)C	1163
+CC(C)c1c(OC)cccc1	65
+CC(C)c1cc(ccc1O)Cl	662
+CC(C)c1cc(cnc1Cl)[N+](=O)[O-]	137
+c1c(Cl)c(c(cc1N2N=C(C(NC2=O)=O)C#N)Cl)Sc3cc(C(C)C)c(O)nn3	3298
+O=S(=O)(Cl)c1ccc(c(c1)C(C)C)OC	240
+c1cc(ccc1)COc2c(C(C)C)cc(-c3onc(c3)C(=O)OCC)c(OCc4ccccc4)c2	1208
+c1cc(ccc1)Nc2c(Oc3c(cc(c(C)c3)OC)C(C)C)cnc(N)n2	73
+CC(C)c1c(Oc2c(Cl)nc(nc2)N)cc(c(OC)c1)C	64
+CC(C)c1ccc(Cl)cc1[N+](=O)[O-]	594
+CC(C)c1cc(C(C)C)c(c(Br)c1)OCCC	116
+CC(C)c1cccc(C)c1CCl	109
+CC(C)c1[nH]nc(c1Cc2ccccc2OCc3cccc(Cl)c3)OC4OC(C(C(C4O)O)O)CO	22
+CC(C)c1cc(c(c(c1)C(C)C)OC)-c2csc3c2cc(C(C)=CC(OC)=O)cc3	65
+CC(C)c1c(c(cc(Oc2c(cc(N)c(C)c2Br)Br)c1)CO)O	0
+CC(C)c1c(c(C)ccc1)CO	41
+CC(C)c1onc(c1CC(=O)NCc2c(cc(F)cc2)Cl)C(C)C	9
+CC(C)c1ccc(c(c1)OCc2c3ccccc3c(nc2C)-c4c(ccc5[nH]ncc45)C(C)C)C	7933
+c1ccccc1Cn2c3cc(O)ccc3c(C(NCc4cc(F)c(cc4)F)=O)c2C(C)C	5
+c1cc(ccc1)Cn2c3cc(ccc3c(C(NCc4cc(F)c(cc4)F)=O)c2C(C)C)C=O	39
+CC(C)c1nn2c(c(CO)ccc2OC)c1C(O)=O	426
+c1cc(ccc1)S(=O)(=O)n2cc(c(C(C)C)c2Br)C(=O)OC	917
+CC(C)c1c(C(O)=O)cc([nH]1)-c2ccnc(C=Cc3ccccc3)c2	6
+CC(C)c1c(cc(c(B(O)O)c1)OC)F	493
+CC(C)c1c(cc(OC)c(OC)c1)Cc2cnc(nc2NCC)SC	40
+CC(C)c1cc(OC)c(OC)cc1Cc2c(nc(S(=O)(=O)C)nc2)NCC	528
+FC(F)(F)c1cc(N)c(cc1C)-c2cc(c(F)cc2OC)C(C)C	134
+FC(F)(F)c1ccc(-c2cc(C(C)C)c(cc2OC)F)c(CO)c1	134
+c1ccccc1-c2c(C(C)C)nc(c(C#N)c2)N3CCNC(C)C3	43
+CC(C)c1c(CC(O)=O)cc2OCOc2c1	270
+CC(C)c1cc(Oc2c(Br)cc([N+](=O)[O-])c(C)c2Br)ccc1O	5
+CC(C)c1c(ccc(Oc2c(Br)cc([N+](=O)[O-])c(C)c2Br)c1)OC	4367
+CC(C)c1cccc2C(=O)C(Nc12)=O	1418
+CC(C)c1[n+]([O-])cccc1CCl	103
+FC(F)(F)c1cnc(cc1)-n2nc(C(C)C)c(c2)C(=O)OCC	1706
+CC(C)c1cc(Cl)ncc1CO	382
+CC(C)c1cc(ncc1C(O)C)Cl	2129
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3ccc(c(c3)C)-c4cc(OCCCC)c(C(O)=O)cc4	500
+CC(C)c1c(COc2cc(C)c(cc2)C=O)n(nc1)-c3c(Cl)cccc3Cl	146
+CC(C)c1c(n2ncc(Br)c2nc1C)OC	4055
+CC(C)c1c(C)nc(nc1Cl)SC	64
+CC(C)c1c(nc(Nc2c(C(=O)N)nnc(c2)Cl)cc1)OC	314
+c1c(C)c(c(cc1N)C)Oc2ccc3[nH]nc(c3c2)C(C)C	0
+CC(C)c1cc(nc2c1c(ccc2C)C)Cl	532
+CC1(C)OB(OC1(C)C)c2cc3c(n(C)cc3C(C)C)c(c2)C(=O)NCc4c(nc(C)cc4C)O	17
+CC1(C)OB(OC1(C)C)c2cnc3c(c(C(C)C)c[nH]3)c2	234
+CC(C)c1c2c(ncnc2sc1)N3C4CC(C(OCCOS(=O)(=O)C)C4)C3	7
+CC(C)c1c2c(ncnc2sc1)N3C4CC(OCCN5CC6CC5CO6)C(C4)C3	123
+CC(C)c1c2cc(Br)cc(C(O)=O)c2[nH]c1	2160
+CC(C)c1c2cc(cc(C(=O)O)c2n(C)c1)Br	144
+CC(C)c1cn(c2c1cc(-c3ccc(nc3)C)cc2C(O)=O)C	305
+CC(C)c1c2c(c(cc(c2)Br)C(NCc3c(nc(C)cc3C)O)=O)n(C)c1	56
+c1cc(ccc1)Cc2c(c(nc(C)c2)O)CNC(c3c4n(C)cc(C(C)C)c4cc(c3)Br)=O	56
+CC(C)c1c2c([nH]n1)ccc(Oc3c(C)cc(cc3C)[N+]([O-])=O)c2	46
+c1cc(ccc1)Nc2nc3c(cn2)ccc(OC)c3C(C)C	744
+CC(C)c1c2nc(ncc2ccc1OC)Cl	1047
+CC(C)c1c[nH]c(c1)C(O)=O	1
+CC(C)c1c(c(cc(C(C)C)c1)-c2csc3ccc(C(C)=CC(OC)=O)cc23)O	241
+CC(C)c1cc(c(cc1)N)C=2CCCCC=2	989
+CC(C)c1cc(C#N)c(N)cc1	180
+CC(C)c1cc(Br)ccc1OCc2ccccc2	139
+CC(C)c1cc(Br)ccc1OCc2ccccc2	22
+CC(C)c1cc(ccc1OCc2ccccc2)C=O	146
+c1cc(ccc1Oc2ccc(OCc3ccccc3)c(C(C)C)c2)OCC	304
+CC(C)c1cc(c(cc1)Nc2ccc(cc2[N+](=O)[O-])F)C#N	275
+C1CC1(N)c2cc(C(C)C)ccc2	4368
+CC(C)c1sc2N=c3ccc(C(N)=O)cn3C(=O)c2c1	3370
+CC(C)c1c(cc(c(CC(OC)=O)c1)C)OC	27
+CC(C)c1c(cnc(c1)Cl)C=O	200
+O(C)B(OC)c1cc(C(C)C)c(cc1OC)F	4369
+CC(C)c1cc(NNC(Nc2cc(Cl)cc(Cl)c2)=O)nc3c(C)ccc(C)c13	7934
+c1ccccc1COc2cc(C(C)C)ccc2C=O	22
+CC(C)c1ccc(c(c1)OCc2c(nc(Cl)nc2C)Cl)C	2171
+CC(C)c1ccc(c(c1)OCc2c3ccccc3c(Cl)nc2C)C	751
+CC(C)c1cc(OC)c(OC)cc1Cc2cnc(nc2NCC)N	1408
+CC(C)c1cc(c(C(N)=O)cc1Oc2cnc(nc2N)N)OC	7935
+CC(C)c1c(cc(C2=NCCN2)c(OC)c1)Oc3cnc(nc3N)N	2086
+CC(C)c1c(cc(c(OC)c1)C(=NO)N)Oc2cnc(nc2N)N	253
+O=S(=O)(NCCc1ccc(C(C)C)cc1OCC(=O)OCC)c2c(OC)ccc(C#N)c2	71
+CC(C)c1cc(Oc2c(cc(c(C)c2Br)[N+]([O-])=O)Br)cc(C=O)c1O	502
+CC(C)c1c(c(cc(c1)Oc2c(cc(c(C)c2Br)[N+](=O)[O-])Br)CO)O	41
+O=S(=O)(c1cc(C(C)C)c(Cl)cc1)Nc2cc(Cl)cnc2C(c3c4cc[nH]c4ncc3)=O	322
+CC(C)c1cc([N+]([O-])=O)c(cc1)C(=O)O	944
+CC(C)c1ccc(c(N)c1)C(=O)O	0
+CC(C)c1c(Oc2cnc(nc2N)N)cc(c(c1)OC)C(N)=S	581
+c1c(C)c(c(cc1)C)-c2nc(C)c(COc3c(ccc(c3)C(C)C)C)c(OC)n2	345
+CC(C)c1cc(C(C(O)=O)CCCCl)c(cc1OC)C	4
+CC(C)c1cc(c(I)cc1Oc2c(N)nc(nc2)NC(CCC(O)=O)=O)OC	4
+C[Si](C)(C)C#Cc1c(OC)cc(c(Oc2cnc(nc2N)N)c1)C(C)C	311
+CC(C)c1cc(c(cc1Oc2cnc(nc2N)N)-c3occc3)OC	4209
+CC(C)c1cc(OC)c(cc1Oc2cnc(nc2N)N)C#N	1942
+CC(C)c1cc(-c2csc3c2cc(cc3)C(C)=CC(O)=O)c(c(c1)C(C)C)OC	127
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C3=CCCCC3)C(C)C	616
+CC(C)c1cc(cc(C(C)C)c1CO)C(C)C	1146
+CC(C)c1cc(cc(C(C)C)c1C=COC)Br	1417
+CC(C)c1cc(cc(C(C)C)c1CP(OCc2ccccc2)(OCc3ccccc3)=O)C(C)C	7936
+CC(C)c1cc(cc(C(C)C)c1C=O)Br	1669
+CC(C)c1cc(cc(C(C)C)c1I)Br	158
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2cc(c(cc2)C(O)=O)O)C(c3c(Cc4ccccc4Br)oc(C)c3C)=O	1163
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2ccc(c(c2)O)C(O)=O)C(c3c(Cc4ccc(cc4)Br)oc(c3C)C)=O	1163
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2ccc(c(c2)O)C(O)=O)C(=O)c3c(c(oc3Cc4cc(Br)ccc4)C)C	1163
+CC(C)c1cc(cc(C(C)C)c1O)C=C(S(=O)(=O)NCCCc2ccccc2)C#N	2593
+CC(C)c1cc(cc(C(C)C)c1O)C(c2c(c(oc2Cc3cc(Br)ccc3)C)C)=O	5
+CC(C)c1cc(cc(C(C)C)c1OC)C(=O)c2c(c(oc2Cc3cc(Br)ccc3)C)C	2913
+CC(C)c1cc(cc(C(C)C)c1OC)C(c2c(Cc3ccccc3Br)oc(C)c2C)=O	2913
+CC(C)c1cc(cc(C(C)C)c1OC)C(c2c(Cc3ccc(cc3)Br)oc(c2C)C)=O	2913
+CC(C)c1cc(cc(C(C)C)c1O)C(c2c(Cc3ccc(cc3)Br)oc(c2C)C)=O	5
+CC(C)c1cc(cc(C(C)C)c1O)C(c2c(C)c(C)oc2Cc3ccccc3Br)=O	5
+CC(C)c1cc(Cl)cc(c1O)N	0
+CC(C)c1cc(Br)cc2c1[nH]cc2	1561
+c1cc(ccc1-c2nc3cc(C#N)cc(c3o2)C(C)C)C(O)=O	1
+CC(C)c1cc(O)c(C=O)cc1	502
+c1ccccc1COc2cccc(c2)C(C)C	22
+CC(C)c1cccc(Oc2ncc(cn2)[N+]([O-])=O)c1	893
+CC(C)c1cc(cc(c1O)[N+]([O-])=O)Cl	31
+CC(C)c1cc(C(=O)O)ccc1OCc2ccccc2	500
+CC(C)c1cc(c(I)cc1Oc2cnc(nc2N)N)OC	694
+c1ccccc1CSc2c(C(C)C)cc([N+](=O)[O-])cn2	1272
+ClC(Cl)(Cl)COC(Nc1cc(nn1-c2cc3c(ncs3)cc2)C(C)C)=O	278
+c1cc(ccc1Nc2cc(C(C)C)nc(Cl)n2)C	73
+CC(C)c1cc(NN)nc2c(C)ccc(C)c12	2572
+CC(C)c1c(C(=O)C)cnc(Cl)c1	716
+CC(C)c1c(cc2OCOc2c1)CC#N	177
+c1cc(ccc1CO)NC(=O)c2ccc(Cc3cc(cc4c3oc(C(C)C)c4)Cl)o2	768
+CC(C)c1ccc2c(c1)ncnc2Cl	64
+CC(C)c1nn2c(c(ccc2OC)C=O)c1	200
+CC(C)c1cc2c(c(cc(c2)Cl)Cc3oc(C(O)=O)cc3)o1	1
+c1ccccc1COC(Nc2ccc(C(C)C)nc2O)=O	7937
+CC(C)c1cc([N+]([O-])=O)c(CCN)cc1	51
+CC(C)c1c(cc(Cl)cc1)N	0
+CC(C)c1cnc(F)c(I)c1	625
+CC(C)c1ccc(cn1)NC(c2cnn(c2)C=C)=O	4371
+CC(C)c1ncc(NCc2cn(nc2)C=C)cc1	4150
+CC(C)c1ccc(nn1)Cl	218
+CC(C)c1cc2c(cc1)c(ncn2)O	1116
+CC(C)c1nc(OC)c(cc1)-c2ncc(NC(C)COC)nc2Cl	7938
+Cc1cccc(C)c1-c2nc(c(c(C)n2)COc3cc(ccc3C)C(C)C)N4CCNC(C4)C	54
+CC(C)c1ccc(c(OCC(=O)NN)c1)CCNS(=O)(=O)c2c(O)ccc(C#N)c2	743
+CC(C)c1cc(c(C)cc1)OCc2c(nc(Cl)nc2OC)C	145
+CC(C)c1cc([N+](=O)[O-])c(cc1)C#N	180
+CC(C)c1ccc(cc1)-c2ccnc(c2)Cl	174
+c1cc(ccc1-c2cncc(-c3cccc(c3)C(=O)OCC)c2)C(C)C	89
+CC(C)c1ccc(cc1)-c2n(CCOC)c3c(cc(Cc4cccnc4SC)cc3OC)n2	2188
+c1cc(ccc1)-c2ccc(c3n(CCOC)c(nc23)-c4ccc(cc4)C(C)C)OC	3789
+c1cc(ccc1C2c3c(cc(C)c(c3OC2)C)C)C(C)C	20
+O=S(=O)(C)OC1CN(C1)Cc2ccc(cc2)C(C)C	7
+CC(C)c1ccc(cc1)Cc2c(C)cc(cc2OC)C	65
+c1cc(ccc1C(C)C)C#Cc2ccc(cc2)C(C)C(NCC)=O	129
+c1cc(ccc1C(C)C)N(c2ccc(cc2)C(C)C)C(=O)C	7939
+c1ccccc1COC(Nc2cc(cnc2OC)-c3ccnc(C(=O)Nc4cc(C)c(cc4)C(C)C)c3)=O	4372
+CC(C)c1ccc(nn1)N	1969
+CC(C)c1cccc(C(C)C)c1-n2c3ccccc3nc2-c4cc(ccc4)-c5ccc6c(c7c(cccc7o6)O)n5	5
+CC(C)c1cccc(C(C)C)c1-n2ccnc2-c3cccc(c3)-n4c5c(c6ccccc46)ccc(C#N)c5	7940
+CC(C)c1cccc(C(C)C)c1C(=O)O	595
+CC(C)c1cccc(C(C)C)c1CO	1146
+CC(C)c1cccc(C(C)C)c1N=Cc2cccc(-c3cc(OCCC=C)c(C)cc3C)n2	119
+CC(C)c1cccc(C(C)C)c1NC(C)(C)c2nc(-c3c(ccc4ccccc34)CNc5ccccc5)ccc2	245
+CC(C)c1cccc(C(C)C)c1NC(C)(C)c2nc(-c3c4ccccc4ccc3CNc5c(cc(cc5C)C)C)ccc2	245
+CC(C)c1cccc(C(C)C)c1NC(CN2C(N(C(C)(CCC)C2=O)c3ccc(cc3)C)=O)=O	4373
+CC(C)c1cccc(C(C)C)c1NC(=O)CN2C(=O)C3(CCN(CC3)C(=O)C)N(c4ccc(cc4)C)C2=O	4373
+CC(C)c1cc(cc(C(C)C)c1O)C=O	502
+CC(C)c1c(c(ccc1)C)C=O	146
+CC(C)c1c(Cl)ccc(N)c1	196
+CC(C)c1cccc(c1)Nc2c(C#N)cnc3c2cc(nc3)F	179
+CC(C)c1cccc(Oc2ncc(cn2)N)c1	193
+CC(C)c1cccc(C)c1Br	1078
+CC(C)c1c2[nH]ccc2ccc1	1561
+CC(C)c1c(cccc1)NC(=O)C=NO	1048
+c1ccccc1-c2c(Nc3c(C(C)C)cccc3)c([N+]([O-])=O)ccc2	275
+CC(C)c1c2c(n(c1)C)c(C(NCc3c(cc(C)nc3O)C)=O)cc(c2)-c4cnc(C)cc4	56
+CC(C)c1cnc(F)c(c1)C#N	2189
+CC(C)c1n(c2ccccc2n1)CCCCCO	44
+c1cc(ccc1)Cn2c(CC)c(c(c2C(C)C)C(=O)NCc3cc(F)c(cc3)F)CCCC	56
+CC(C)c1c(C(=O)NCc2cc(F)c(cc2)F)c3c(cc(cc3)C(OCC)=O)n1Cc4ccccc4	56
+CC(C)c1c(c2c(cc(OC)cc2)n1Cc3ccccc3)C(NCc4cc(F)c(cc4)F)=O	56
+CC(C)c1c(C(=O)NCc2cc(F)c(cc2)F)c3c(cc(cc3)C(OCC)=O)n1Cc4occn4	56
+CC(C)c1n(-c2cc(cc(C(O)=O)c2)-c3ccc(cn3)Cl)nnn1	1
+CC(C)c1nnc2c(ccc(SC)n12)C(O)=O	1
+c1ccccc1OC(=O)NCc2ccccc2Sc3ccc4n(c(C(C)C)nn4)c3	101
+CC(C)c1n2c(c(ccc2C)C(O)=O)nn1	1
+CC(C)c1n2cc(ccc2nn1)Sc3c(cccc3)CN=[N+]=[N-]	925
+CC(C)c1nnc2ccc(cn12)OC3CCC(N)c4cc(ccc34)F	870
+CC(C)c1n2c(ccc(Sc3c(CN)cccc3)c2)nn1	18
+c1ccccc1COc2c(c(ccc2)Cl)-c3nc(C(C)C)c(OCC)o3	57
+CC(C)c1nc(Cl)c(C#N)c(-c2ccc(Cl)c(c2)Cl)n1	64
+CC(C)c1nc(-c2cccc(c2)N)c(-c3nc(ncc3)Cl)s1	2087
+CC(C)c1nc(c(-c2ccnc(n2)Cl)s1)-c3cc(ccc3)NS(=O)(=O)c4cc(ccc4)F	69
+O1CC(COC1(C)C)c2ccc(cc2)Oc3ncnc(N4CCC(CC4)c5nc(no5)C(C)C)c3[N+]([O-])=O	54
+CC(C)c1nc(SCC(N)=O)c(c(-c2cc(c(Cl)cc2)Cl)n1)C#N	3769
+CC(C)c1ncsc1Br	2190
+CC(C)c1nc(sn1)N2CCC(CC2)N3C(=O)C(Cc4ccc(cc4)S(=O)(=O)C)CC3	7941
+CC(C)c1nc(c(c(-c2ccccc2)c1)C#N)N3CC(C)N(CC3)C(=O)c4cocc4	1859
+CC(C)c1nc(-c2ccc(c(Cl)c2)Cl)c3c(sc(c3N)C(=O)N)n1	3770
+CC(C)c1sc(-c2nc(ncc2)NC)c(-c3cc(ccc3)NS(=O)(=O)c4cc(ccc4)F)n1	96
+CC(C)c1nc(c(c(c1C=CCCC)-c2ccc(cc2)S(=O)(=O)C)CO)C(C)C	2146
+CC(C)c1nc(CNC)cs1	7942
+CC1(C)C(C)(C)OB(O1)c2cc(c(nc2)N3CCC(CC3)c4noc(C(C)C)n4)C#N	234
+COc1nc(nc(OC)c1)Oc2c(-c3oc(OCC)c(C(C)C)n3)c(ccc2)Cl	2914
+CC(C)c1nc2c(cccc2Cl)n1-c3cc(ccc3)O	5
+CC(C)c1nc2c(Cl)cccc2n1-c3cccc(OC)c3	2846
+O=S(=O)(C)c1cc(Oc2cccc(-n3c(nc4c3cccc4Cl)C(C)C)c2)cc(Cl)c1	415
+CC(C)c1n(ccn1)CC2CC3c4c5c([nH]cc5CC3N(C)C2)ccc4	2840
+c1(C)cccc(C)c1-c2nc3CCN(Cc3c(n2)O)c4n(nc(C(C)C)c4)C	104
+CC(C)c1cc2c(ccc(OC)n2n1)CO	7943
+c1cc(ccc1OC(=O)c2ccc(n3c2cc(n3)C(C)C)OC)[N+]([O-])=O	852
+CC(C)c1nn2c(c(ccc2OC)C(O)=O)c1	1725
+CC(C)c1n2c(c(C(=O)OC)ccc2SC)nn1	7944
+CC(C)c1nnc2ccc(nn12)C#Cc3c(cc(cc3)F)F	3872
+CC(C)c1n2c(ccc(OC3c4c(C(CC3)NC(Nc5cnn(c5)-c6ccc(cc6)C)=O)cccc4)c2)nn1	1962
+CC(C)c1oc(-c2c(N)ncc(c2)-c3ccc4[nH]ccc4c3)nn1	89
+c1(C)cccc(C)c1OCc2c(C(OC)=O)c(on2)C(C)C	20
+c1(cccc(Cl)c1Cc2noc(C(C)C)c2CO)Cl	88
+CC1(C)OB(OC1(C)C)c2cnc(N3CCN(CC3)c4noc(C(C)C)n4)c(C#N)c2	234
+c1(Cl)cccc(Cl)c1CCc2c(CO)c(C(C)C)on2	88
+c1(C)cccc(C)c1OCc2c(CO)c(C(C)C)on2	88
+CC(C)c1onc(c1COc2ccc(cc2)-c3ccc4c(c3)ccc(C(O)=O)n4)CS(c5c(cccc5Cl)Cl)=O	6
+CC(C)c1sc2c(C(n3cc(C#N)ccc3=N2)=O)c1	1014
+CC(C)c1cc2c(s1)N=c3n(cc(cc3)-c4[nH]nnn4)C2=O	2915
+CC(C)n1ncc(Cl)c1-c2cc(N)ccc2OC	0
+CC(C)n1c(-c2c(OC)ccc([N+]([O-])=O)c2)c(Cl)cn1	697
+c1cnccc1-c2cc(c3c(n2)n(nc3)C(C)C)C(=O)OCC	7945
+c1cc(ccc1)C(=O)Nc2n(c3c(cc4c(C(C)(C)C(=O)N4CCCCC)c3)n2)C(C)C	2879
+CC(C)n1c(Nc2ncc(Cl)c(c2)Nc3ccc(F)cc3C(NOC)=O)cc(C)n1	7946
+CC(C)n1c(Nc2ncc(Cl)c(c2)Nc3ccc(cc3C(=O)O)F)cc(C)n1	7947
+c1cc(ccc1F)-c2c(c(n(C(C)C)c2C(=O)OCc3ccccc3)C=O)-c4ccc(cc4)F	470
+CC(C)n1c2c(cc1-c3c(OC)nc(nc3)OC)C(N(C4CCN(CC4)C(=O)NC)C2c5ccc(cc5)Cl)=O	2041
+C1CNCCC1Nc2nc(-c3n(C(C)C)c(nc3)C)ccn2	62
+C1CC(CCC1NC(=O)CCN(C)C)Nc2nc(ccn2)-c3n(C(C)C)c(nc3)C	9
+CC(C)n1c(cnc1C)-c2nc(ncc2)Nc3ccc(cc3)N4CCN(CC4)C(CO)=O	948
+CC(C)n1c(cnc1C)-c2nc(Cl)ncc2	740
+CC(C)n1c2c(cn1)c(C(NCc3c(nc(C)cc3C)O)=O)cc(C4=CCN(CC4)C(=O)CCCN(C)C)n2	2699
+CC(C)n1c2c(c(C(c3ccnc(c3)NC(=O)Cc4ncc(C#N)cc4)=O)c1)cncn2	1684
+CC(C)n1c2cc(ccc2c(C(=O)Nc3nccs3)c1)O	5
+CC(C)n1cc(C)c2c(C(=O)O)cc(cc12)Br	1
+c1cc(ccc1O)CCNc2nc(Cl)cc3c2ncn3C(C)C	1679
+CC(C)n1ncc2cc(ccc12)OC(c3ccccc3)C(C)N	669
+CC(C)n1ccc2ccc(cc12)CO	98
+C1CC(CCN1C(CCCN(C)C)=O)c2nc3n(C(C)C)ncc3c(C(=O)NCc4c(nc(C)cc4C)O)c2	1676
+CC(C)n1c2nc(cc(C(=O)NCc3c(nc(C)cc3C)O)c2cn1)Cl	14
+CC(C)n1nc(c2c1ccnc2)C(=O)c3cc(N)ncc3	1380
+CC(C)n1c2c(c(C(c3ccnc(c3)NC(=O)Cc4ncc(cc4)Br)=O)c1)cncn2	142
+CC(C)n1c2c(c(cc(Br)c2)C(OC)=O)c(c1)C	4374
+CC(C)n1c2c(c(c1)C(=O)Nc3nccs3)ccc(OC)c2	2916
+CC(C)n1c2c(c(cc(Br)c2)C(=O)NCc3c(O)nc(CO)cc3C)c(C)c1	104
+c1cc(ccc1S(=O)(=O)NC)-c2cc(c3c(C)nn(c3n2)C(C)C)C(=O)NCc4c(nc(C)cc4C)O	140
+CN(C)c1cc(C(=O)NCc2c(nc(C)cc2C)O)c3cnn(C(C)C)c3n1	43
+CC(C)n1ncc2c(cc(-c3ccc(cc3)F)nc12)C(NCc4c(nc(C)cc4C)O)=O	140
+CC(C)n1c2c(cn1)c(cc(Cl)n2)C(=O)O	137
+O=S(=O)(Nc1ccc(cc1)-c2cn(C(C)C)c3ncnc(N)c23)c4ccccc4	869
+CC(C)n1nc(c2c(N)ncnc12)-c3cc(c(cc3F)O)F	5
+CC(C)n1nc(-c2cc3c(cc2)N(CC3)C(=O)Cc4cc(F)ccc4F)c5c1ncnc5N	918
+CC(C)n1c2ncnc(N)c2c(-c3cc(F)c(OC)cc3F)n1	920
+CC(C)n1c2c(c(-c3cc(c(O)cc3)F)n1)c(N)ncn2	920
+c1cc(ccc1-c2cn(C(C)C)c3c2c(ncn3)Cl)[N+](=O)[O-]	2123
+CC(C)n1cc(C(=O)c2ccnc(Br)c2)c3c1ncnc3	4233
+CC(C)n1cnc(-c2cc3nccc(Oc4c(cc(NC(=O)CC(Nc5c(OC)cccc5)=O)cc4)F)c3s2)c1	4375
+CC(C)n1cc(-c2cc3c(c(Oc4ccc(N)cc4F)ccn3)s2)nc1	0
+CC(C)n1c2c(cncn2)c(c1)C(c3ccnc(N)c3)=O	1380
+CC(C)n1c2cc(cc(c2c(C)c1)C(NCc3c(cc(nc3OC)CO)C)=O)Br	14
+CC(C)n1cc(N)cn1	209
+CC(C)n1cc(c2c1cc(cc2)C)C(=O)Nc3nccs3	2916
+CC(C)n1ccc2ccc(cc12)COC	76
+CC(C)n1cc(-c2cc3c(c(ccn3)Oc4ccc([N+]([O-])=O)cc4F)s2)nc1	680
+c1cc(ccc1)Nc2nc(ccn2)-c3cncn3C(C)C	7948
+CC(C)n1c(Nc2ncc(c(Nc3ccc(F)cc3C#N)c2)Cl)cc(C)n1	346
+CC(C)n1cc(c(I)n1)-c2nc(Cl)ncc2	740
+CC(C)n1nc(-c2c(F)ccc(NS(=O)(=O)CCC)c2F)c(-c3ccnc(n3)NCC(C)NC(=O)OC)c1	1016
+c1cc(ccc1)CNc2nc(ccn2)-c3c(-c4sc(Cl)cc4)nn(C(C)C)c3	435
+CC(C)n1nc(c(c1)-c2ccnc(S(=O)(=O)C)n2)-c3sc(Cl)cc3	737
+CN(C)C=CC(=O)c1c(nn(c1)C(C)C)I	277
+CC(C)n1c2nc(Cl)cc(C(=O)NCc3c(nc(C)cc3C)O)c2c(n1)C	14
+CC(C)n1nc(C(=O)NN)c2ccccc12	1726
+CC(C)n1c(-c2c(ccc(NC(=O)Nc3ccc(F)c(F)c3)c2)OC)c(Cl)cn1	124
+CC(C)n1ncc2c(N3CC4CCC(C3)O4)nc(-c5ccc(cc5)N)nc12	0
+c1cc(ccc1[N+](=O)[O-])-c2nc(Cl)c3c(n2)n(C(C)C)nc3	1203
+CC(C)(C)OC(N1CC=C(c2cc(C(NCc3c(nc(C)cc3C)O)=O)c4c(n(nc4)C(C)C)n2)CC1)=O	4376
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(nc12)-c4ccc(cc4)N5CCN(CC5)C	245
+CC(C)n1ncc2c(cc(-c3ccc(cc3)CO)nc12)C(NCc4c(nc(C)cc4C)O)=O	119
+CC(C)n1ncc2c1nc(-c3cnc(nc3)N)cc2C(NCc4c(nc(C)cc4C)O)=O	7949
+CC(C)n1ncc2c1nc(Br)cc2C(=O)NCc3c(nc(C)cc3C)O	7950
+CC(C)n1c2c(c(cc(n2)C(=O)C)C(=O)NCc3c(nc(C)cc3C)O)cn1	1867
+CC(C)n1ncc2cc(ccc12)OC(c3ccccc3)C(NS(=O)(=O)C)C	111
+CC1(C)C(C)(C)OB(O1)c2ccc3-c4nc(-c5n(ncn5)C(C)C)cn4CCOc3c2	17
+CC(C)n1ncnc1-c2sc3c(-c4c(cc(cc4)C5CN(C5)C(C)(C)C(=O)N)OCC3)n2	527
+C(O)CC(CC(=O)OC)C	21
+Clc1ccc2c(n(C(=O)CC(C)CC(OC)=O)c(CCCCCC)c2)c1	2917
+C1CN(CCC1Oc2c(C(CC)C)cccc2)c3ncc(cn3)Br	419
+CC(CC=C(CC)C)C(CC)=CCOc1cc2c(cc1)CCCO2	2888
+CCC(C(C)CC1OC1(CC)C)=CCOc2cc3OCCCc3cc2	7951
+c1(ccc(C)n1-c2c(ccc(Cl)c2)[N+](=O)[O-])C	1727
+c1(C)ccc(C)n1C(C)CO	7952
+Cc1ccc(C)n1-c2c(cc(F)cc2)Cl	1727
+c1(C)ccc(C)n1-c2cc(F)cc(F)c2	1727
+c1cc(C)n(c1C)-c2ccn(-c3ccccc3)n2	7953
+c1cc(C)n(c1C)-c2ccccc2	1727
+c1cc(ccc1Cl)C(=O)C(c2ccc(cc2)Cl)NC(=O)CCCCCC(C#N)C	612
+C(NC(C)=O)Cc1cc2c(OCO2)cc1CC#N	177
+c12CCN=C(c1cccc2Br)C	1120
+n1cccc(-n2cc(c(Cl)n2)NCC)c1	15
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c4c(ncc3C#N)cc(c(NC(=O)C)c4)OCC	179
+c1([N+]([O-])=O)c(c2c(cc1)CCCC2)N	106
+C1Cc2c(CC1)c(NC(=O)C)cc(F)c2C	165
+CC(=O)Nc1c2OCOc2c(cc1Cl)C(OC)=O	196
+c1(cc2ccc(c(OC)c2c3cc(C)ccc13)OC)NCC	15
+n1[nH]c(c(c1NC(C)=O)I)-c2cc(F)ccc2	1419
+c1(C)cc(cc(C)c1S(=O)(=O)N)Nc2ncc(Br)c(n2)OC(C(C)O)C	55
+c1c2c(ccc1)C(=O)N(C2=O)C(c3cnc4ccccc4c3Cl)C	4377
+CC(O)c1c(c(Sc2c(F)cccc2)ccc1)OC	297
+C(C)(Cl)c1cccc(Sc2c(F)cccc2)c1OC	525
+c1c(cc(c(OC)c1C(C)=O)OC)Cl	155
+c1cc(ccc1-c2sc(F)cc2NC(OC(c3ccccc3C)C)=O)-c4ccc(cc4)C5(CC5)C(=O)OCC	2578
+c1cc(ccc1-c2c(c(no2)C)NC(=O)OC(C)c3c(cccc3)Cl)Br	2918
+c1cc(ccc1-c2nocc2NC(=O)OC(c3c(cccc3)Cl)C)CCCl	2918
+C1(C2(C)C(C3C(=O)C=C4C(C)(CCC(C4)OC(=O)C)C3CC2)CC1)OC(C)=O	7954
+CC1(C)OB(OC1(C)C)c2cc3c(c[nH]c3nc2)C(C)c4c(Cl)ccc(F)c4Cl	234
+Clc1c(C(COC)C)c(F)ccc1	21
+c1(c(NC(=O)OC(c2ccccc2F)C)c(-c3cc(C)c(cc3)Br)on1)C	2918
+NNC(=O)C(C)c1c(cc2ncccc2c1F)F	561
+c12nc(c(cc1cc(Cl)c(OC)c2)C(C)=O)OC	716
+CC(=O)c1cc(C(=O)OC)cc(c1)N	0
+CC(C(=O)O)c1cc(Cl)c(cc1)C#N	4
+c1(C(=O)CBr)cccc(OCc2cc(c(cc2)Cl)Cl)c1	380
+CC(c1cc(C(=O)OC)cc(c1)[N+]([O-])=O)=O	128
+FC(F)(F)c1cc2c(CCN(C2)C(C3(CN(CC3)C(c4ccc5c(N(C)C(=O)N5C)c4)C)COC)=O)nc1	3617
+c1cc(ccc1)COc2c(ccc(c2)CC)Oc3ccc(cc3F)C(=O)C	46
+CC(c1ccc(c(F)c1)-c2cc(ccc2)O)C(OC)=O	134
+CC(c1ccc(I)c(F)c1)C(OC)=O	158
+FC(F)(F)C(c1ccc2c(N(C)C(=O)CO2)c1)(C(C)c3ccc(OC)cc3Cl)O	1379
+CC(c1ccc(N)c(F)c1)C(OC)=O	0
+c1ccccc1CCCNC(=O)Oc2cccc(c2)-c3ccc(cc3F)C(C(=O)OC)C	1890
+CN(C)C=CC(=O)c1cccc(C#N)c1	277
+c1cc(ccc1)N(c2ccccc2)c3cc4c(n(c5c4cccc5)C(C)=O)cc3	7955
+c1ccc2c(c3ccccc3n2-c4cccc(-c5cc6c(n(c7ccccc67)C(C)=O)cc5)c4)c1	99
+c1cc(ccc1Oc2cc3c(C(C)(C(OC)=O)CCO3)cc2C#N)C(=O)NCCc4ccc(cc4)Cl	46
+c1ccc2CC(Cc2c1)(C(OC)=O)C	4378
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(-c3ccc(cc3)I)ccc2CC	158
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2c(ccc(c2)-c3ccc(cc3)C#C)CC	75
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2c(ccc(-c3ccc(cc3)C#C[Si](C)(C)C)c2)CC	311
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(ccc2C3CC3)Oc4ccc(Cl)cc4Cl	304
+c1(I)cc(-c2c3c(n(cn3)CC)nnc2)ccc1F	7956
+c1cc(ccc1Cc2nc(c(Cl)c(c2F)N)C=O)F	4254
+C1(=O)c2ccccc2C(=O)N1CCCOc3cc4c(N(C(=O)C(C)(C)C(=O)N4C)CC)cc3	8
+CC1(C)Nc2c(N(C)C1=O)c(c(cc2)-c3c(ccc(Cl)c3)O)CO	7957
+CC1(C)c2ccc(C=O)cc2N(C)C1=O	39
+CC1(C)C(N(c2cc3nc(NC(c4ccccc4)=O)[nH]c3cc12)CC)=O	2879
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4c5c(ccc(C(=O)N)c5)n[nH]4)[nH]3)CC	169
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4[nH]nc5ccc(C(=O)N=CN(C)C)cc45)[nH]3)CC	2098
+CC1(C)CC2CCC(C(=O)NCc3c(Cl)nccn3)CN2C1=O	9
+CC1(C)C(=O)N2CC(C(=O)O)CCC2C1	4
+CC1(C)C(=O)N2CC(c3nc(Br)c4c(N)nccn34)CCC2C1	522
+CC1(C)NCc2cc(C=CC(N(Cc3c(c(Cl)ccc3)OCCC)C)=O)cnc2NC1=O	2385
+CC1(C)C(N(c2c(ccc(Br)c2CO)N1)C)=O	239
+O=S(=O)(OC(C1C(C)(C)C1C(OCC)=O)C(Cl)Cl)c2ccc(cc2)C	36
+c1cc(ccc1S(=O)(=O)NC2c3cc(ccc3OC(C)(C)C2O)CC(NC4CCCc5ccccc45)=O)CC	71
+CC1(C)C(Nc2c(C(=O)N)cnn3cc(Br)cc23)CCC1(C(=O)OC)C	719
+CC1(C)c2c(cc(c(c2)N)N)C(C)(C)C1(C)C	0
+CC1(C)C(C)(C)C1C(c2c3cc(c(OC)cc3[nH]c2)OCc4ccccc4)=O	432
+CC1(C)C(C)(C)C1C(=O)Cl	130
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(nn2)-c3ccc(cc3OC)B4OC(C)(C)C(C)(C)O4	425
+CC1(C)C(C)(C)OB(O1)c2cc3CC(C)(C)Oc3cc2	17
+OB(O)c1c(c(ncc1)N2C(=O)c3cc4CC(C)(C)Cc4n3CC2)COC(C)=O	7958
+CC1(C)OB(OC1(C)C)c2c(F)cc3OC(C)(C)CNc3c2	17
+CC1(C)OB(OC1(C)C)c2cc3c(C(NCC3(C)C)=O)cc2	17
+CC1(C)C(C)(C)OB(O1)c2cc(-c3cccc4c5c(cccc5)sc34)cc(c2)-c6ccc7-c8ccccc8C(C)(C)c7c6	632
+CC1(C)C(C)(C)OB(O1)C=2C=C(Nc3cc(on3)CC)C(=O)N(C)C=2	1371
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2F)NC(Nc3ccc(cc3)C(=O)N(C)C)=O	17
+CC1(C)OB(OC1(C)C)c2cc(N3CC(N(C)C)CC3)ccc2	17
+CC1(C)C(C)(C)OB(O1)c2cnc(N)c(S(=O)(=O)N(C)C)c2	234
+CC1(C)OB(OC1(C)C)c2c(C=O)cc(Oc3nc(N(C)C)c(C#N)cc3)cc2	17
+CC1(C)OB(OC1(C)C)C=2C=C(C(=O)N(C)C=2)Nc3nn4CCN(CCOC)Cc4c3	1371
+OB(O)C=1C=C(Nc2ccc(cn2)C(=O)N3CCOCC3C)C(=O)N(C)C=1	3628
+CC1(C)OB(OC1(C)C)C=2c3cc(-c4cnn(c4)C)ccc3C(N(C)C=2)=O	4379
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(OC)(OC)=O	632
+CC1(C)C(C)(C)OB(O1)c2cc(OC)c(c(c2)C=O)OCOCC[Si](C)(C)C	17
+CC1(C)C(C)(C)OB(O1)c2cc3ncn(c3cc2)COCC[Si](C)(C)C	1623
+CC1(C)OB(OC1(C)C)c2ccc3c(c(nn3COCC[Si](C)(C)C)C=O)c2	17
+CC1(C)OB(OC1(C)C)c2ccc(c(c2)Nc3scc(n3)-c4sc(C)nc4C)OC	17
+CC1(C)C(C)(C)OB(O1)c2c3c(ccc2)c(c[nH]3)CCCOc4cc(C)c(c(C)c4)Cl	2919
+CC1(C)C(C)(C)OB(O1)c2cc3NCCOc3cc2C	17
+CC1(C)C(C)(C)OB(O1)c2cc(Cl)c(C)nc2	234
+CC1(C)C(C)(C)OB(O1)c2cc(Cl)c(O)c(F)c2	17
+CC1(C)OB(OC1(C)C)c2c(Cl)cc3c(CCC(=O)N3C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3cccc(Cl)c3[nH]2	4380
+CC1(C)OB(OC1(C)C)c2cc(Cl)c3N(C(CCc3c2)=O)C	17
+CC1(C)OB(OC1(C)C)c2cc(c(N)cc2)C#N	632
+CC1(C)OB(OC1(C)C)c2cc3c(nc(c4ccnc(O)c34)Nc5c(Cl)cc(cc5Cl)-c6ccn[nH]6)cc2	17
+CC1(C)OB(OC1(C)C)c2cc(Cl)cc(c2)O	17
+CC1(C)OB(OC1(C)C)c2cc(ccc2)N3C(=O)C=CC=C3	632
+CC1(C)C(C)(C)OB(O1)c2ccc(c3c2[nH]cc3)Cl	2919
+CC1(C)C(C)(C)OB(O1)c2ccc3c(ccc(Cl)c3)c2	17
+CC1(C)C(C)(C)OB(O1)C2=CCC3(CCCC3)CC2	4381
+CC1(C)C(C)(C)OB(O1)C=2CCC3(OCCO3)CC=2	4381
+CC1(C)OB(OC1(C)C)c2c(ccc(c2C=O)F)OCC	425
+CC1(C)C(C)(C)OB(O1)c2c(c(ccc2C=O)F)OCCCOCc3ccccc3	425
+CC1(C)C(C)(C)OB(O1)c2c(OC)cc(cc2)-c3oc4c(n3)cccc4	425
+CC1(C)C(C)(C)OB(O1)c2c(cc(CC(OC)=O)cc2)F	425
+CC1(C)OB(OC1(C)C)c2cc(ccc2[N+]([O-])=O)F	425
+CC1(C)OB(OC1(C)C)c2c(C=O)ccc(c2)OC3CCCC3	425
+CC1(C)C(C)(C)OB(O1)c2cc(cc(Cl)c2C=O)OC3OCCCC3	425
+CC1(C)C(C)(C)OB(O1)c2cc(OC(C3CC(=O)NC3)C)c4c(ncs4)c2	4382
+CC1(C)C(C)(C)OB(O1)c2cccc(c2)-c3c(C#N)scc3	425
+CC1(C)OB(OC1(C)C)c2cccc(-n3c4c(nc3)cc(cn4)-c5cocc5)c2	425
+CC1(C)OB(OC1(C)C)c2cc(ccc2C=O)-c3cc(C#N)ccc3	425
+CC1(C)C(C)(C)OB(O1)c2ccc3cccnc3c2	4382
+CC1(C)C(C)(C)OB(O1)c2ccc(Cl)c(NC(c3c(Cl)cc(cc3)Cl)C)c2	425
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(OC)=O	425
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(OCC)=O	425
+CC1(C)C(C)(C)OB(O1)c2cnc(OCC)c(C(F)(F)F)c2	234
+CC1(C)C(C)(C)OB(O1)c2cc(c(C3CC3)nc2)OC(F)(F)C	7959
+CC1(C)C(C)(C)OB(O1)c2ccc(OC(F)F)c(F)c2	17
+CC1(C)OB(OC1(C)C)c2cc(OC(F)F)c(cc2)Cl	17
+CC1(C)OB(OC1(C)C)C2=CN(C)C(C=3CCCCC2=3)=O	7960
+CC1(C)C(C)(C)OB(O1)C2=C(N3C(=O)NN=C3C=C2)C	7961
+CC1(C)OB(OC1(C)C)c2cc(C)c(N)c(c2)[N+](=O)[O-]	17
+CC1(C)C(C)(C)OB(O1)c2ccc(N)c(OC)c2F	17
+CC1(C)C(C)(C)OB(O1)c2c(N)ccc(C)c2	17
+CC1(C)C(C)(C)OB(O1)c2c(ccc(N)c2)Cl	372
+CC1(C)C(C)(C)OB(O1)c2cc(ncc2Cl)N	1809
+CC1(C)OB(OC1(C)C)c2cc(ccc2Cl)C(N(c3ccccc3CCCC(=O)OC)C)=O	17
+CC1(C)C(C)(C)OB(O1)c2cc(c(C(OC)=O)s2)OC(c3ccccc3Cl)C	7962
+CC1(C)C(C)(C)OB(O1)c2cc(C)cnc2OC	234
+CC1(C)C(C)(C)OB(O1)c2cc(F)c(OC)nc2	7963
+CC1(C)C(C)(C)OB(O1)c2cc(c(N)nc2)OC	234
+CC1(C)C(C)(C)OB(O1)c2cc(c(OCC(OCC)=O)cc2)OCC	17
+CC1(C)OB(OC1(C)C)c2cncc(C3COC(OC3)(C)C)c2	234
+CC1(C)C(C)(C)OB(O1)c2cc(c3c(CCCO3)c2C)Cl	17
+CC1(C)C(C)(C)OB(O1)c2c(C)c(ccc2)N3C(=O)c4c(c(Cl)ccc4)N(C3=O)C	17
+CC1(C)C(C)(C)OB(O1)c2c(c(ccc2)N3C(=O)c4ccccc4N(C)C3=O)C	17
+CC1(C)C(C)(C)OB(O1)c2cccc(N3C(c4c(NC3=O)c(Cl)ccc4)=O)c2C	17
+CC1(C)C(C)(C)OB(O1)c2c(cc(Oc3ccc(c(c3)C(=O)OC)C#N)cc2)C=O	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(c(-c4c(F)cc(cc4)F)oc3cc2N(S(=O)(=O)C)C)C(=O)NC	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2N(S(=O)(=O)C)C)oc(C4=CCCC4)c3C(=O)NC	17
+CC1(C)C(C)(C)OB(O1)c2c(N(S(=O)(=O)C)C)cc3oc(c(C(=O)NC)c3c2)C45C(CCC4)C5	17
+CC1(C)C(C)(C)OB(O1)c2cc(F)cc(c2)CNS(=O)(=O)C	17
+CC1(C)C(C)(C)OB(O1)c2ccc(OC)c(NS(=O)(=O)C)c2	17
+CC1(C)C(C)(C)OB(O1)c2ccc(S(=O)(=O)C)cc2F	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)C3CCOCC3	17
+CC1(C)OB(OC1(C)C)c2c(cc(cc2)S(=O)(=O)CC)OC	17
+CC1(C)OB(OC1(C)C)C=2C=CC(=O)N(CCS(=O)(=O)C)C=2	7964
+CC1(C)C(C)(C)OB(O1)c2ccc(CN(C)S(=O)(=O)C)cc2Cl	17
+CC1(C)OB(OC1(C)C)c2cc(N(S(=O)(=O)C)C)ccc2	17
+CC1(C)C(C)(C)OB(O1)c2cc3CC(NS(=O)(=O)C(C)C)Cc3cc2	372
+CC1(C)C(C)(C)OB(O1)c2ccc(OCCN(C)C)c(c2)NS(=O)(=O)C	17
+CC1(C)OB(OC1(C)C)c2cc(cc(OS(=O)(=O)C)c2)OC	632
+CC1(C)OB(OC1(C)C)c2cc(c(S(=O)(=O)C)cc2)F	17
+CC1(C)OB(OC1(C)C)c2cc(c(F)cc2S(=O)(=O)C)F	17
+CC1(C)OB(OC1(C)C)c2cc(cnc2)S(=O)(=O)Nc3c(cc(F)cc3)F	234
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2C)S(=O)(=O)NC	17
+CC1(C)OB(OC1(C)C)c2cncc(NS(=O)(=O)c3c(Cl)cc(cc3)Br)c2	234
+CC1(C)OB(OC1(C)C)c2cncc(NS(=O)(=O)c3ccccc3)c2	234
+CC1(C)OB(OC1(C)C)c2ccc(C3=CCS(=O)(=O)CC3)cc2C	17
+CC1(C)OB(OC1(C)C)c2cc3CS(=O)(=O)N(c3cc2)C	17
+CC1(C)OB(OC1(C)C)c2cc3c([nH]nc3F)cc2	17
+CC1(C)OB(OC1(C)C)c2c3ccccc3c(C(=O)O)cc2	17
+CC1(C)C(C)(C)OB(O1)c2cnc(c(c2)C)OC	234
+CC1(C)OB(OC1(C)C)c2cc(c(Br)cc2OC)C	4383
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(c(c2)C)C3=C(OC)CCC3=O	17
+CC1(C)OB(OC1(C)C)c2c(F)cc3OCCCc3c2	17
+CC1(C)OB(OC1(C)C)c2cc(F)c(c(c2)F)-c3c(C(=O)c4ccc(cc4Cl)F)c(nn3C)C	17
+CC1(C)OB(OC1(C)C)c2cc(ccc2F)CCC(OC)=O	372
+CC1(C)C(C)(C)OB(O1)c2ccc(N3CC(OC3=O)CNC(=O)OC)cc2F	372
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2F)N3C(=O)OC(C3)Cn4ccnn4	372
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2F)[N+]([O-])=O	17
+CC1(C)OB(OC1(C)C)c2c(c(ccc2)[N+](=O)[O-])C	17
+CC1(C)OB(OC1(C)C)c2cccc(c2F)[N+](=O)[O-]	17
+CC1(C)C(C)(C)OB(O1)c2cc(F)c(c(c2)Cl)C=3C(CCC=3OC)=O	4383
+CC1(C)OB(OC1(C)C)c2cc(C)c(N)cc2	17
+CC1(C)C(C)(C)OB(O1)c2cccc(N3C(N(C)c4c(ccc(c4)OC)C3=O)=O)c2C	17
+CC1(C)C(C)(C)OB(O1)c2cccc(N3C(c4ccc(F)cc4N(C)C3=O)=O)c2C	17
+CC1(C)OB(OC1(C)C)c2cccc(NC(=O)Cc3c(cccn3)Cl)c2C	17
+CC1(C)OB(OC1(C)C)c2cc(c(O)c(Cl)c2C)C(=O)OC	17
+CC1(C)C(C)(C)OB(O1)c2cc3c([nH]2)c(OCC)ccc3	4380
+CC1(C)C(C)(C)OB(O1)c2ccc3c(CC(=O)N3C)c2Cl	17
+CC1(C)C(C)(C)OB(O1)c2c(ccc(C=O)c2)C	17
+CC1(C)C(C)(C)OB(O1)c2c(Cl)c(cc(OC)c2)Cl	17
+CC1(C)C(C)(C)OB(O1)c2ccc(C3OCC(C(Br)C3)CC)cc2F	17
+CC1(C)OB(OC1(C)C)c2c(F)cc3-n4c(nnc4C)CCc3c2	17
+CC1(C)C(C)(C)OB(O1)c2c(F)cc3c(OC(N3C)=O)c2	17
+CC1(C)OB(OC1(C)C)c2c(F)cc3c(c2)CCC(=O)N3C	17
+CC1(C)C(C)(C)OB(O1)c2c(cc3c(cnn3C4OCCCC4)c2)F	17
+CC1(C)OB(OC1(C)C)c2cc(c[nH]2)C(OC)=O	7965
+CC1(C)OB(OC1(C)C)c2cc(-c3ccc(cc3C)C(OC)=O)ccc2CC	372
+CC1(C)OB(OC1(C)C)c2c(cc(-n3cccn3)cc2)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(CC)c3[nH]ccc23	1623
+CC1(C)OB(OC1(C)C)c2c(OC)cc(-n3nc(cc3)N)cc2	17
+CC1(C)OB(OC1(C)C)c2ccc(O)cc2OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(cccc3F)F	372
+CC1(C)OB(OC1(C)C)c2cc(OCCCCl)ccc2	17
+CC1(C)OB(OC1(C)C)C=2C=C(Nc3ncc(C)s3)C(N(C=2)C)=O	1371
+CC1(C)OB(OC1(C)C)c2cc(F)c3c(CCC(=O)N3C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3cc([nH]c3nc2)-c4c(C)cncc4	234
+CC1(C)OB(OC1(C)C)c2ccc3ccn(C)c3c2F	1623
+CC1(C)C(C)(C)OB(O1)c2ccc(c(c2)Cc3c4c(ccc3)cccc4)OC	17
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2F)C(OC)=O	17
+CC1(C)OB(OC1(C)C)c2ccc3c(CC(N3C)C(OCC)=O)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)N(C(=O)C3)C	17
+CC1(C)OB(OC1(C)C)c2ccc3c(CCC(=O)N3C)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(C(=O)NCC3)cc2	17
+CC1(C)C(C)(C)OB(O1)c2cc3CN(C(=O)c3cc2)C	17
+CC1(C)C(C)(C)OB(O1)c2ccc3c(CN(CC(C)O)C3=O)c2	17
+CC1(C)OB(OC1(C)C)c2cc3c(N(C)CCC3)cc2	17
+CC1(C)OB(OC1(C)C)c2cc3c(N(C(=O)Cc4cc(C)ccc4)CC3)cc2	17
+CC1(C)OB(OC1(C)C)c2cc3CCN(c3cc2)C(=O)Cc4cc(F)ccc4F	17
+CC1(C)C(C)(C)OB(O1)c2ccc3cc(C#N)ccc3c2	17
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(c(c2)C)N	17
+CC1(C)C(C)(C)OB(O1)c2ccc(CC(=O)OC)cc2C	17
+CC1(C)OB(OC1(C)C)c2cc(Cl)c(c(Cl)c2)O	17
+CC1(C)OB(OC1(C)C)c2cc(Cl)c(c(c2)Cl)C	372
+CC1(C)C(C)(C)OB(O1)c2c(c(N3C(=O)c4cc(cc(F)c4NC3=O)F)ccc2)C	17
+CC1(C)C(C)(C)OB(O1)c2c(OC)ccc(-c3cnc(cc3C)C(OC)=O)c2	372
+CC1(C)C(C)(C)OB(O1)c2cc(N)c(F)cc2C	17
+CC1(C)OB(OC1(C)C)c2cnc(c(Cc3ncccc3)c2)N	234
+CC1(C)C(C)(C)OB(O1)c2cc(F)cc(C#N)c2	17
+CC1(C)C(C)(C)OB(O1)c2ccc(C(N)=O)c(c2)C	17
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(C(NC)=O)cc2	17
+CC1(C)OB(OC1(C)C)c2ccc(c(F)c2)C#N	17
+CC1(C)OB(OC1(C)C)c2ccc(Cl)c(c2)CNC(OC)=O	17
+CC1(C)C(C)(C)OB(O1)c2ccc(c(F)c2)C=O	17
+CC1(C)OB(OC1(C)C)c2ccc(c(OC)c2)CC(O)=O	17
+CC1(C)OB(OC1(C)C)c2cc(O)cc(C(=O)OC)c2	17
+CC1(C)OB(OC1(C)C)c2cc(C(=O)OC)cc([N+](=O)[O-])c2	372
+CC1(C)OB(OC1(C)C)c2cc(nc(C)c2)C(=O)Nc3scc(C)n3	1809
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)OCC(=O)N3C	17
+CC1(C)OB(OC1(C)C)c2cc3c(cc2)N(CCN3)C	17
+CC1(C)C(C)(C)OB(O1)c2ccc3c(N(C(O3)=O)C)c2	17
+CC1(C)OB(OC1(C)C)c2cc3C=CN(C(c3cc2)=O)C	17
+CC1(C)C(C)(C)OB(O1)c2cc3NCCCc3cc2	17
+CC1(C)OB(OC1(C)C)c2cc3C(CC(C)N(c3cc2)C(=O)C)Nc4ncc(C#N)cc4	17
+CC1(C)C(C)(C)OB(O1)c2ccc3nc(N)ncc3c2	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)c4c(nc3)[nH]nc4	17
+CC1(C)OB(OC1(C)C)c2cc3c(cc2)cc(C(=O)OCC)[nH]3	1623
+CC1(C)OB(OC1(C)C)c2ccc3c(c2)cc(C(=O)OCC)[nH]3	17
+CC1(C)C(C)(C)OB(O1)c2ccc3nc(NC)sc3c2	7966
+CC1(C)OB(OC1(C)C)c2cc(OCC(CN3CCc4c(C3)cccc4)O)ccc2	17
+CC1(C)OB(OC1(C)C)c2cc(c(nc2)N)-c3oc4c(cccc4)n3	234
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c4ccccc4n3-c5cc6c(oc7ccccc67)cc5)c2	17
+CC1(C)OB(OC1(C)C)c2c(cc(Oc3c4c(ccn3)occ4)cc2)C	17
+CC1(C)OB(OC1(C)C)c2cnc(cc2)-c3nn(nn3)C	234
+CC1(C)OB(OC1(C)C)c2cc(CC#N)ccc2OC	17
+CC1(C)OB(OC1(C)C)c2ccc(OCCCC(=O)OCC)c(OC)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc(c(OCc3c(cccc3N4N=NN(C)C4=O)OC)cc2)C	17
+CC1(C)C(C)(C)OB(O1)c2c(C)c(C=O)c(cc2)OC	17
+CC1(C)OB(OC1(C)C)c2c(ccc(CC(OC)=O)c2)OC	17
+CC1(C)OB(OC1(C)C)c2c(ccc(CC(=O)OCC)c2)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3CCC(c4ccccc4)(CC3=O)CC(C)(C)O	17
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c2)OC(=CC3)c4ccccc4	17
+c1cc(ccc1)CN(Cc2ccccc2)C3Cc4c(cccc4B5OC(C)(C)C(C)(C)O5)OC3	425
+CC1(C)C(C)(C)OB(O1)c2cc(OCc3ccccc3)cc(Nc4cnccc4)c2	17
+CC1(C)OB(OC1(C)C)c2cc(ccc2C=O)Oc3cccc(c3)OCc4ccccc4	17
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)OC)Cc3ccccc3	17
+CC1(C)OB(OC1(C)C)c2ccc(Oc3ccccc3)cc2C	17
+CC1(C)OB(OC1(C)C)c2c3c(n(S(=O)(=O)c4ccccc4)c2)ncc(c3)-c5cn(C)nc5	7967
+CC1(C)C(C)(C)OB(O1)c2cn(nc2-c3ccc(cc3)[N+](=O)[O-])CC	2611
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)-c3c(NC(=O)OC(C)c4c(cccc4)Cl)c(no3)C	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(C(=O)NC)c(-c4ccc(cc4)C#N)oc3cc2N(S(=O)(=O)C)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3nc(C4N(C(C(C(C)C)Nc5sccn5)=O)CCC4)[nH]c3	17
+CC1(C)C(C)(C)OB(O1)c2ccc3CCC(Oc3c2)c4ccc(cc4)-c5cc(ccc5F)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)-n4cccn4	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)C4(CC4)CC(OCC)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3[nH]c(nc3)C4CC(C)CN4C(=O)C(NC(=O)OC)C(C)C	17
+c1cc(ccc1-c2[nH]c3c(cc(S(=O)(=O)C)cc3)n2)B(O)O	2920
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3nnc(NC)o3	17
+c1cc(ccc1-c2oc3cc(N(S(=O)(=O)C)c4cc(F)c(c(F)c4)B(O)O)c(C5CC5)cc3c2C(NC)=O)F	2920
+c1cc(ccc1-c2oc3cc(c(cc3c2C(NC)=O)C4CC4)N(S(=O)(=O)C)c5ccc(B(O)O)c(C(F)F)c5)F	2920
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3sccc3C#N	17
+c1cc(ccc1-n2ncc3c2nccc3B(O)O)F	4384
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3csc(Nc4cccc(C)n4)n3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ncoc3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-n3c4ncncc4cn3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-n3nnnc3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(N3CCC(OC3=O)(C(C)C)CCCO)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C34CCC(CC3)(OC4)CC(=O)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(=O)NC3CC3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Cc3c(nc4c(F)ccc(c4c3OC(F)F)OCC(=O)OC)CC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3C(C(C)(C)OC3=O)c4ccccc4	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)OC3C(C(OCC)C(C(O3)C)OC)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=O)N(CCN(C)C)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCC3CC(C3)OC4OCCCC4	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCc3cnc(OC)cc3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3nc4N(C)C(N(C(c4n3Cc5cccc(OC)c5)=O)C)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)c3ccc(N)nc3	17
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)C(Nc3sc4CCCCc4n3)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CC3)C(OCC)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C=3NOC(=O)N=3	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(C(=O)OC)NC(C)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(OCC)=O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCC#N	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3cc(NC(=O)C4CCCN4C(=O)C(NC(=O)OC)C(C)C)ccc3	632
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3cnn(c3)C	632
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)F	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3C(CCCC3)OC(=O)C	372
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(Cl)ccc(c3)F	372
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)N3CCC(F)C3	372
+CC1(C)C(C)(C)OB(O1)c2cnc(OCc3ccc(cc3)OC)c(OCC)c2	234
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3c(ccc(F)c3)F	372
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(C)(C)=O	17
+CC1(C)C(C)(C)OB(O1)c2ccc3c(cnn3S(=O)(=O)c4ccc(cc4)C)c2	17
+CC1(C)OB(OC1(C)C)c2ccc(N3C(OCC3)=O)nc2	234
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c(C(=O)N4Cc5ccccc5C4)nc(N)n3)c2	372
+CC1(C)OB(OC1(C)C)c2cc(-c3sc4c(cccc4)n3)c(N)nc2	234
+CC1(C)OB(OC1(C)C)c2ccnc(NC(C)c3ccccc3)c2	1809
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3CCC(c4ccccc4)(OC3=O)CC(C)(C)O	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3CCC(c4ccccc4)(CCc5nnc(C)o5)OC3=O	17
+CC1(C)C(C)(C)OB(O1)c2ccc(c(C(=O)NCc3ccccc3)c2)OC	17
+CC1(C)OB(OC1(C)C)c2ccc(C(OCc3ccccc3)=O)cc2OC	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)CC(NC(OCc4ccccc4)=O)CC3	17
+CC1(C)C(C)(C)OB(O1)c2ccc3nccc(c3c2)OCc4ccccc4	17
+CC1(C)OB(OC1(C)C)c2cc(Cc3ccccc3)c(O)cc2	17
+CC1(C)C(C)(C)OB(O1)C2=CN(C)C(c3n(Cc4ccccc4)c(cc23)C(=O)OCC)=O	7968
+CC1(C)OB(OC1(C)C)c2cc3c(ccnc3cc2)-c4ccncc4	17
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2)-c3ncccn3	632
+CC1(C)C(C)(C)OB(O1)c2cc(-c3ncc(cn3)OCC)ccc2	632
+OB(O)c1cnc(NC(=O)NCC)cc1-c2nc(cs2)-c3cnn(C)c3	2028
+CC1(C)OB(OC1(C)C)c2c(ccc(-c3cn(nc3)C)c2)Cl	17
+CC1(C)OB(OC1(C)C)c2cc([N+]([O-])=O)c(-c3c(C(=O)OCC)cnn3C4COCC4)cc2	17
+CC1(C)OB(OC1(C)C)c2ccc(c(F)c2)-c3n(C4CCOC4)ncc3C(=O)OCC	17
+CC1(C)C(C)(C)OB(O1)c2cc(cc3c2n4c(C(=O)NCC4)c3C)F	2919
+CC1(C)OB(OC1(C)C)c2cc(cnc2)-c3ocnc3	234
+CC1(C)C(C)(C)OB(O1)c2cncc(CC(OC)=O)c2	234
+CC1(C)C(C)(C)OB(O1)c2cc(-c3ncc(cn3)OCCOC)ccc2	632
+CC1(C)OB(OC1(C)C)c2ccc(c(F)c2)-c3cnc(nc3)N	632
+CC1(C)C(C)(C)OB(O1)c2cnc(nc2)N3C(C)CCC3	7969
+CC1(C)OB(OC1(C)C)c2cc(cc(Nc3nccc(C)n3)c2)C	17
+CC1(C)C(C)(C)OB(O1)c2cc(-c3ncccn3)c(c(c2)[N+]([O-])=O)N	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-n3nccn3	17
+CC1(C)C(C)(C)OB(O1)C=2C=C(Nc3nn4c(c3)COCC4)C(=O)N(C)C=2	1371
+CC1(C)CC(C)(C)CC(=C1)c2c(cccc2[N+]([O-])=O)C	563
+CC1(C)C=C(CC(C)(C)C1)c2c([N+](=O)[O-])cccc2F	7970
+C1CCCC12CC=C(c3onc(C(=O)OCC)c3C)CC2	7971
+CC(C)(C)OC(=O)N1CCCC(c2cc(c(N)nc2)-c3n(-c4c(c(F)ccc4)F)nnn3)=CC1	1076
+FC(F)(F)c1cc(ccc1)Nc2c3ccc(C)c(C4=Cc5c(N(C)C4=O)nc(NC)nc5)c3ccn2	7972
+CC1(C)Cc2c(n3CCN(c4nccc(C5=CN(C(C(=C5)Nc6cc7n(CCOC7)n6)=O)C)c4C=O)C(=O)c3c2)C1	2870
+CC1(C)CCC(=CC1)c2cc(CCS(=O)(=O)N(C)C)ccc2N	563
+CC1(C)CCC(c2cc(C(=O)C)ccc2N)=CC1	563
+C1COC2(O1)CC=C(CC2)c3c(ccc(n3)C(O)=O)F	4376
+FC(F)(F)COc1ncc(cc1C2=CCCCC2)C(=O)OC	1076
+FC(F)(F)COc1c(cc(cn1)C(=O)Nc2cnccc2)C3=CCCCC3	7973
+c1c(cc(C=2CCCCC=2)c(N)c1)Br	4385
+c1cc(ccc1)-c2c(sc(n2)-c3c(nc4n3cc(cc4)C=5CCCCC=5)C)C(=O)OCC	1076
+c1c(c(c(cc1C(=O)OC)C=CCOC)C)Br	7974
+CC1(C)C(C)(C)OB(O1)CCCCC(NC(=O)C)(C2CCN(CC2)Cc3ccccc3)C(NC(C)(C)C)=O	48
+CC1(C)C(C)(C)OB(O1)CCCCC(C(NC(C)(C)C)=O)(NC(=O)C)C2CCNCC2	62
+CC1(C)C(C)(C)OB(O1)c2c(C)n(nc2)CC3COC(C)(C)O3	4386
+CC1(C)OB(OC1(C)C)c2cn(CC(F)(F)COCc3ccccc3)nc2	4386
+CC1(C)OB(OC1(C)C)c2cnc(OCCCN(C)C)cc2	3869
+CC1(C)C(C)(C)OB(O1)c2ccc(CCCN(C)C)c(Cl)c2C	585
+CC1(C)OB(OC1(C)C)c2cc(CCN(C)C)c(cc2)OC	585
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)[Si](C)(C)C)F	585
+CC1(C)C(C)(C)OB(O1)c2c(cccc2C)C	585
+CC1(C)OB(OC1(C)C)c2n(C)ncc2C	4387
+CC1(C)OB(OC1(C)C)c2c(C)nn(c2)-c3cncc(F)c3	7975
+CC1(C)OB(OC1(C)C)c2c(F)c(Cl)ccc2C(F)F	1327
+CC1(C)C(C)(C)OB(O1)c2c(F)cc(cc2F)OC3CCOCC3	1327
+CC1(C)OB(OC1(C)C)c2c(F)cc(cc2F)-c3c(C)onc3C	1327
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)CCCCCCCC	7976
+CC1(C)OB(c2cc(ccc12)C)O	7977
+c1c(c(C=O)c(c(c1)-c2ccnc(Cl)n2)C)OC	379
+c1cc(ccc1-c2c(C)ccs2)F	7978
+c1(C(Nc2nc(c(-c3c(c(Cl)cc(OC)c3)Cl)nc2)N)=O)ccnn1C	1728
+c1cc(ccc1-c2c(Cl)cc3c(CC(=O)N3)c2)Cc4c(cccc4)OC	99
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)Oc3ccccc3	1191
+c1(cc(cc(F)c1-c2c(ccc(C(OC)=O)n2)F)N3CCOCC3)F	245
+c1(F)cc(cc(F)c1-c2c(F)ccc(C(OC)=O)n2)OC3CCOCC3	245
+O=S(=O)(N(C)c1c(cc2c(oc(C34C(CCC3)C4)c2C(NC)=O)c1)-c5nc-6c(cc5)OCn7c8cccc(F)c8cc-67)C	362
+CC(C)(C)[Si](C)(C)OCc1cc2nc(c3ncc(C#Cc4ccc(cc4C)OC)cc3c2cc1)N	7979
+Nc1c(cc(C)cc1)-c2ncnc(OC)c2	379
+O=S(=O)(C)N1CC(N(Cc2oc3C(c4ccncc4OCCOC)=CN(C(=O)c3c2)C)CC1)C	2710
+c1ccccc1COCCCOc2c(ccc3c2B(OC3C[N+]([O-])=O)O)F	4388
+CC1(C)C(C)(C)OB(O1)c2ccc(CC(O)=O)cc2F	4
+CC1(C)C(C)(C)OB(O1)c2c(N)cc(CO[Si](C)(C)C(C)(C)C)cc2	78
+CC(C)(C)[Si](C)(C)OCc1cc2nc(c3ncc(C#Cc4ccc(cc4C)OC)cc3c2cc1)N	7980
+N#Cc1ccc(Oc2ccc3B(O)OCc3c2)cc1C(OC)=O	2191
+Fc1cc(cc(F)c1-c2c(F)ccc(C(OC)=O)n2)C3(CCC3)O	245
+C1CC(CCO1)c2cc(F)c(c(F)c2)-c3nc(C(OC)=O)ccc3F	245
+CN(C)Cc1cc(-c2cc3c(cc2F)n(nc3)C4OCCCC4)cnc1	156
+c1(C=O)cc(c(C)cc1)-c2ccnc(Cl)n2	379
+CC1(C)OB(OC1(C)C)c2c(ccc(c2)NC(=O)c3c(cc(S(=O)(=O)C)cc3)Cl)Cl	67
+NC(=O)c1c(c2ccc(-c3c(C)nn(C)c3C)cc2nc1)Nc4cccc(c4)C(=O)OCC	7981
+FC(F)(F)c1[nH]c2c(-c3c(C)nn(C)c3C)cccc2c1CCCOc4cc(C)c(c(c4)C)Cl	7982
+Cc1noc(C)c1-c2ccc3C(C=C(C)N(c4ccc(cc4F)F)c3c2)=O	7983
+c1c(C)c(c(cc1OCCNS(=O)(=O)C)C)-c2c3CCC(c3c(cc2)F)Oc4ccc5c(c4)OCC5CC(OC)=O	99
+c1cc2C(CCc2c(c1)-c3c([N+]([O-])=O)cccc3)=O	4389
+O=S(=O)(N1CCN(CC1)Cc2sc3c(c(N4CCOCC4)nc(-c5c6c[nH]nc6ccc5)n3)c2)C	7984
+Cc1cc(cc(C)c1Cl)OCCCc2c[nH]c3c(cccc23)-c4c(n(C)nc4CO)C	7985
+CC1(C)C(C)(C)OB(O1)c2c3c(cccc3)ccc2CNc4c(C)cc(cc4C)C	608
+CC1(C)C(C)(C)OB(O1)c2c(CNc3ccccc3)ccc4ccccc24	608
+FC(F)(F)c1nc2nccc(-c3cc(F)cc(-c4ccccc4C#N)c3)c2cc1	4390
+n1cc(cnc1-c2cccc(c2)CC3=NN(C=CC3=O)c4cn(C)nc4)OCC	4391
+n1cc(cnc1-c2cccc(c2)CC3=NN(C=CC3=O)c4cn(C)nc4)OCCOC	4391
+O=S(=O)(C)N(C)c1c(-c2cc(-c3nc4ccccc4s3)ccc2)cc5c(c1)oc(-c6ccc(cc6)F)c5C(NC)=O	99
+c1(c(ncc(c1)-c2n3nc(-c4ccc(OC)c(OC)c4)sc3nc2)N)C#N	2921
+FC(F)(F)C(=C)c1cc(C)c(c(c1)C)N	2192
+c1c(C)c(c(cc1-c2nnc(OC)c(C(C)=O)c2)C)O	746
+CC(C)Cn1c2c(c(cc(-c3ccc(-c4cccc(n4)C)cn3)c2)C)c5ccccc15	4114
+CC(C)(C)OC(=O)Nc1cc(C)cc(-c2ccncc2[N+](=O)[O-])c1	7986
+CC1CN(CC(C)O1)c2c(c(F)c(cc2C=O)-c3cnc(Br)cn3)F	7987
+CC1CN(CC(C)O1)c2c(cc(c(F)c2F)-c3cnc(N)cn3)C=O	1368
+CC1(C)CC(c2c3c([nH]c2)c(C(=O)N)cc(-c4csc(C=O)c4)c3)CCS1(=O)=O	4392
+C1N(CC1)Cc2cc(-c3cc(c4[nH]cc(C5CCS(=O)(=O)C5)c4c3)C(=O)N)cs2	4392
+FC(F)(F)C(C)OCc1cc(cc(c1)-c2cc(nn2-c3ccc(cc3)F)N)Cl	1016
+c1c(Cl)nc(cc1-c2cnc3n2ccc(Cl)c3)Cl	7988
+c1cc(ccc1-c2cc(F)c(c(Cl)c2)C=3C(CCC=3OC)=O)Cl	99
+O=S(=O)(C)NCc1cc(F)cc(c1)-c2c([N+]([O-])=O)c(ccn2)N	362
+CC1(C)C(C)(C)OB(O1)c2c(cc(F)c(NC(=O)OC(C)=C)c2)C	2922
+Nc1c(cc(C)c(-c2cc3c(nc2)cc(nc3)Cl)c1)F	156
+CN(C)S(=O)(=O)c1c(cc(cc1)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C)C(O)=O	99
+c1ccccc1COC(N2CCCC2c3ccc(cc3)-c4cc(NC(C5CC5)=O)ccc4)=O	99
+C1CC1NC(=O)Nc2ccc(C)c(C3=Cc4cnn(-c5c(F)cccc5F)c4N(C3=O)C)c2	7989
+CC(C)(C)CCNC(Nc1c(F)cc(C)c(-c2cc3cnc(SC)nc3nc2C)c1)=O	7990
+O=S(=O)(c1cccc(-c2ccc(c3[nH]c(C)c(c23)C)C(N)=O)c1)C=C	492
+O=S(=O)(NC1CCC(CC1)O)c2c(ccc(-c3cnc(N)nc3C)c2)Cl	1207
+Nc1c([N+]([O-])=O)cc(-c2cc(F)c(cc2)[N+](=O)[O-])cc1	99
+C1CC1c2c(OC(F)(F)C)cc(cn2)O	4393
+C[Si](C)(C)CCOCn1c(Br)c(-c2cc(OC)c(N)nc2)nc1N3CCNCC3	2923
+FC(F)(F)Oc1cnc(cc1)-c2ccc(C(O)(C(C)(C)C)c3cncnc3)c(C)c2	245
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)F)NC(c3sc4c(C(=O)C(C)(C)C4)c3)=O	2810
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)c3cc4c(CC(C)(C)C4O)s3)c(cc2)F	7991
+CC(C)(C)OC(Nc1cc(C=2CCCC=2)ccc1[N+](=O)[O-])=O	2924
+O1CCOC12CCC(=CC2)c3cc(c(cc3C)[N+]([O-])=O)OC(C)C	2924
+C1CC(CCN1c2c(C#N)cc(cn2)-c3cc(F)c(N4C=NN(CCC)C4=O)cc3)c5nc(on5)C(C)C	391
+C1OC(CCC1)Oc2cc(Cl)c3c(B(OC3CC(OCC)=O)O)c2	7992
+C1CCCN1CCNc2cc(cc(-c3ccc4c(c(ncn4)N)n3)c2)F	1592
+C1CCCC1n2c3ccnc(c3c(-c4cc(CC#N)ccc4)n2)OC	2925
+FC(F)(F)c1cc(NC(=O)c2cc(c(C)c(I)c2)-c3cccc(c3)[N+]([O-])=O)ccc1	4394
+n1cccc(C#N)c1-c2c(F)ccc([N+]([O-])=O)c2	362
+C(#N)c1ccccc1-c2c(ccc([N+]([O-])=O)c2)F	99
+c1cc(ccn1)C2(N=C(c3c(F)cccc23)N)c4ccc(F)c(c4)-c5cncc(C#N)c5	7993
+c12cnc(-c3cncc(OC)c3)cc1c4c([nH]2)ncc(c4)F	2926
+n1cc(cc(OC)c1)-c2nn3c(s2)ncc3I	7994
+c1cc(ccc1)CN2CCOC(COc3ccc(cc3)-c4ccnc(C)c4)C2	1802
+c1cc(ccc1C=2C(C(C(Nc3ccc(cc3)-c4c(ncc(-c5cc(C)ncc5)c4)N)=O)=CN(CCF)C=2)=O)F	1420
+c1ccccc1-c2nc(c(c(-c3cc4NC(=O)Nc4cc3)n2)C(C(=O)OC)CCC)C	379
+c1ccccc1OCCOc2c(C(OC)=O)nc(cc2)-c3cc4c(CCCN4)cc3	245
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)C(=O)N(CC3)C	497
+c12c([N+]([O-])=O)ccnc1n(cc2-c3ccc4c(N(CC4)C)c3)C	4167
+c1cc(ccc1F)-c2c(c3cc(-c4nc5c(oc(n5)Cc6ccc(cc6)F)cc4)c(cc3o2)N(S(=O)(=O)C)C)C(NC)=O	245
+c1cc(ccc1-c2oc3cc(c(cc3c2C(NC)=O)-c4cn5ccnc5cc4)N(S(=O)(=O)C)C)F	156
+FC(F)Oc1c(c(OCC(=O)NCCC)c(-c2cc3c(cc2)C(=O)NC3)cc1)OC	99
+C1CN(CCO1)c2c(nc3c(cc(-c4c(cccc4C)C(c5nccnc5)O)cc3)c2)N	99
+O=S(=O)(C)N(C)c1c(-c2nc-3c(cc2)OCn4c5ccccc5cc-34)cc6c(oc(C=7CCCC=7)c6C(=O)NC)c1	362
+C1CN(CCC1Cn2ccc3cc(ccc23)-c4c(C)n(C5CCCCO5)nc4)C(CCc6ccccc6)=O	1122
+c1cncc(c1-c2[nH]c3c(cc(cn3)-c4cc(-c5nccnc5)nn4CC)c2)C	2927
+CC1(C)C(C)(C)OB(O1)c2cc3c([nH]2)c(OCC)ccc3	7995
+C[Si](C)(C)CCOCn1c2ccc(cc2nc1)-c3nc(CS(=O)(=O)C)cc(N4CCOCC4)n3	4395
+FC(F)(F)c1cc(c(-c2cc(Br)cnc2OC)cc1)C=O	156
+CC1(C)C(C)(C)OB(O1)c2ccc(C3OCC(CC)CC3)cc2F	7996
+FC(F)(F)c1c(c(c(COc2cnc(cc2)-c3ccc(cc3C)CC(=O)OC)cc1)C(OC(C)(C)C)=O)O	362
+O=S(=O)(N(Cc1cc(Cl)c(cc1)-c2ccc(cc2)N3C(c4c(OCC3)ncnc4N)=O)C)C	99
+CC(C)Cn1c(cc(C(OCC)=O)n1)-c2ccc(cc2)-c3ccc(c(S(=O)(=O)C)c3)CO	99
+CC1(C)C(C)(C)OB(O1)c2c(F)cc(NC(=O)Oc3ccccc3)cc2	90
+c1(N2CC(CNC(OC)=O)OC2=O)ccc(-c3cnc(-c4nnnn4C)cc3)c(F)c1	156
+FC(F)(F)c1c(ccc(-c2ncc(cn2)-c3cccc(C=O)c3CC)c1)OC(C)C	261
+FC(F)(F)c1cc(ccc1OCCC2CCN(CC2)C(=O)OC(C)(C)C)-c3cc(c(c(n3)C#N)N)NC	362
+CC1(C)C(C)(C)OB(O1)c2ccc(c(c2)C(F)(F)F)OCCCO	168
+FC(F)(F)c1cc(ccc1OCc2cnccc2)-c3cc(c(c(n3)C#N)N)NC	362
+n1cc(cnc1-c2cc(C#N)c(cc2)CC(C)C)Br	2520
+c1cc(ccc1)CNC(=O)c2cc(C=3c4c(C(N(C=3)C)=O)cccc4)ccc2OC	4396
+FC(F)(F)c1c(ccc(c1)-c2cc(c(c(n2)C#N)N)NC)OCOCCOC	362
+CC(C)(C)OC(=O)c1c(F)ccc(-c2c(CC(=O)OC)cc3oc(-c4ccc(cc4)F)c(C(=O)NC)c3c2)c1	1049
+n1cc(cnc1N2CCOC(Cn3c4nc(-c5cn(C)nc5)cnc4nn3)C2)-c6ccc(C=O)c(F)c6	1207
+c1cc(ccc1)COCn2c(C=O)c(c(Cc3c(cccc3)F)c2-c4ccc(OC(F)F)c(OC5CC5)c4)C(=O)OCC	3955
+C[Si](C)(C)CCOCn1c2cnnc(c2c(Cl)c1-c3cc(c(cc3)OC)OC4CCC4)O	7997
+FC(F)(F)c1c(ccc(c1)-c2cc(c(c(n2)C#N)N)NC)OCCCO	362
+CC(C)Cc1cc(ccc1-c2ccc(c(CC(C)C)c2)-c3ccc(OC)c(Cc4cccc5c4cccc5)c3)CCC#N	1049
+CC(C)Cc1c(-c2cc(c(OC)cc2)Cc3cccc4c3cccc4)ccc(CCC#N)c1	1049
+c1cc(ccc1-c2ccc(cc2)C(O)=O)-c3onc(C)c3NC(OC(C)c4c(Cl)cccc4)=O	99
+c1cc(ccc1-c2c(cc3[nH]cc(C(OC)=O)c3c2)Br)-c4c(O)cccc4	756
+CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccc(cc2)-c3cnc(N)c(-c4nc5c(ccnc5)o4)n3)=O	1368
+c1cc(ccc1-c2nc(C3CCCN3C(=O)OCc4ccccc4)n5ccnc(c25)N)C(=O)Nc6sc7CCCCc7n6	1729
+c1cc(ccc1-c2c(F)c(F)c(c(F)c2F)N)CCCCCCCC	99
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)NCc3cnccc3	7998
+c1cc(ccc1-c2c(N)ncc(c2)Br)N	1642
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NS(=O)(=O)c3cccc(c3Cl)Cl	69
+c1cc(ccc1N)-c2cc([N+](=O)[O-])c3ccccc3n2	7999
+c1cc(ccc1-c2cccc3c(nccc23)Nc4ccc5c(cccn5)c4)N	99
+c1cc(ccc1-c2c(C#N)c(cnc2)Cl)N	4397
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(C3=C(N(CC(C)(C)O)N(c4ccccc4)C3=O)C)=O	1349
+c1cc(ccc1N)-c2n3c(nc2)cnc(C(=O)N(C)c4ccc(cc4)C#N)c3	2193
+c1cc(ccc1-c2nc(N3C(C)COCC3)c4c(n(nn4)CC)n2)N	261
+c1cc(ccc1B(O)O)S(=O)(=O)Nc2c(F)cc(c(F)c2)C(OC)=O	1050
+O=Cc1c(cc(-c2ccc(cc2C)O)cc1)OCCCC	99
+n1c(ccc(c1)-c2cc3c(nc(o3)C)cc2C)N	4398
+c1(Cl)cc2c(cc1-c3cnc(cc3)N)ocn2	4398
+FC(F)(F)c1ccc(cc1)-c2nc(-n3cc(-c4ccc(nc4)N)nc3C)nc(c2)C	2923
+FC(F)(F)c1ccc(-c2cc(nc(-n3cc(-c4cnc(N)cc4)nc3)n2)C)cn1	8000
+n1nc(-c2cnc(cc2)N)ccc1	1633
+O=S(=O)(c1ccc(-c2oc(C)cc2)c(F)c1)Nc3cc([N+](=O)[O-])ccc3	4399
+O=S(=O)(c1ccc(-c2ccc(C)o2)cc1Cl)Nc3cc(N)ccc3OC	4399
+C(CC1(C(=O)c2ccc(cc2CC1)-c3ccc([N+]([O-])=O)cn3)C)(OCC)=O	245
+c1cc(ccc1F)-c2n(nc(C)c2-c3ccc4c(NC(=O)CO4)c3Cl)C	1122
+O(C)c1c(F)c(c(F)c(OC)c1)-c2nc3n[nH]c(c3cn2)-c4ccc5C(=O)N(CC(C)O)Cc5c4	918
+c12c(N(C(=O)O1)C)cc(cc2)-c3cnccc3C(C)O	156
+c1ccc2CN(Cc2c1)C(c3nc(nc4c3cc(-c5c(C=O)cc(F)cc5)cc4)N)=O	99
+OB(O)c1cc2ccc(Cl)cc2cc1	1050
+O=S(=O)(C)Cc1cc(N2CCOCC2)nc(-c3cc4cnn(c4cc3)S(=O)(=O)c5ccc(cc5)C)n1	261
+C1CC1C(NS(=O)(=O)CC)c2cc(-c3cc4ccc(cc4cc3)C#N)cnc2	156
+c1cc(ccc1)-c2ccc3ccc(cc3n2)-c4c5c(ncnc5N)n(-c6ccccc6)c4	3874
+C1CC1N2C(=O)COC3(CCN(CC3)C(C)c4ccc(cc4)-c5ccc6cccnc6c5)C2	803
+FC(F)(F)c1cccc(C(=O)Nc2c(C)c(c(cc2C)C)-c3cc4c(nc(N)nc4)cc3)c1	99
+O=S(=O)(c1c(cccc1C)Cl)Nc2c(Cl)ncc(c2)-c3ccc4nc(sc4c3)NC	8001
+FC(F)(F)c1cccc(Oc2nccc3c(-c4ccc5nc(NC)ncc5c4)c(ccc23)C)c1	756
+CC(C)(c1cc(-c2c3c([nH]nc3)ncc2)ccc1)C#N	8002
+CC(C)(C)OC(=O)c1ccc(cc1)NC(=O)c2cc(ccc2)-c3cn4ncnc4c(Br)c3	1642
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2cnc3n2ncc(-c4cccc(c4)C(=O)OC)c3	8003
+C(c1c(ccs1)-c2cc(ccc2)-c3cnc4n3ccc(C=O)c4)#N	2193
+COc1cc(cc(OC)c1)-c2cccc(C(OCC)=O)c2	99
+c12ccc(cc1[nH]c3c(ccc(-c4c(c(N5C(=O)C=C6N(C=CC=C6Cl)C5=O)ccc4)C)c23)C(=O)N)COC	492
+c1cc(ccc1S(=O)(=O)n2cc(c3c(cccc23)-c4nc(OC)c5c(n4)CCN(Cc6ccccc6)C5)C)C	4395
+FC(F)(F)c1ccc(cc1)-c2nc(nc(c2)C)-n3cc(nc3)-c4cccnc4	2923
+c1cc(ccc1CNc2c(cc(cn2)-c3cnccc3)-c4ncsc4-c5c(c(ccc5)Cl)Cl)OC	907
+n1cc(cnc1N2CCCC(Cn3nnc4ncc(nc34)-c5cn(C)nc5)C2)-c6ccn(CCOC7OCCCC7)n6	8004
+N1(C)C=C(c2ccnc(c2COC(=O)C)N3C(c4n(c5CCCCc5c4)CC3)=O)C=C(C1=O)Nc6nn7CCOCc7c6	8005
+c1cnccc1-c2c(-c3occn3)nc(c([N+](=O)[O-])c2)N	1420
+c1cnccc1-c2cn(nc2-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F)CCOC5OCCCC5	8006
+c1cc(ccn1)-c2cc(c(nc2-c3cc(F)ccc3)N)[N+](=O)[O-]	1420
+c1cnccc1-c2cc(cc(F)c2)Br	1802
+c1cc(ccc1Cl)-c2c(-c3ccncc3)c(Cl)ncc2	1420
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc(c(nc2)OCCOC)-c3n(C4OCCCC4)ncc3	2928
+CC(C)n1ncc(c1)-c2cc(Oc3ccc(N)c(c3)F)ccn2	1396
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc(-c3ccc(nc3)-c4cccc(N)c4)c2	1029
+CC(C)(C)OC(=O)N1CCC(CC1)n2ncc(-c3nc(OC(C4CNC(=O)C4)C)c5c(nn(c5)C)c3)c2	1675
+C[Si](C)(C)CCOCn1c2ncc(nc2c(c1)C=O)-c3cnn(CC)c3	8007
+c1cc(ccc1[N+](=O)[O-])-c2c(cn(CC)n2)-c3cc(nc4c3cc[nH]4)Cl	4400
+c1cc(ccc1-c2nn(CC)cc2-c3c4cc[nH]c4ncc3)[N+](=O)[O-]	4400
+C1CC1c2ccc(-c3nc(c4cn(nc4c3)C)OC(C5CNC(=O)C5)C)cn2	4401
+c1(C)cc(cc(C)c1C(=O)OC)-c2cc(c(OC)nc2)OC	391
+C[Si](C)(C)CCOCn1cc(nc1-c2ccc(cc2Cl)-c3c(cc(nc3)OCC4(CCC4)C(OCC)=O)C)C(F)(F)F	391
+C[Si](C)(C)CCOCn1cc(nc1-c2c(Cl)cc(cn2)-c3cnc(cc3C)OCC4(CCC4)C(OCC)=O)C(F)(F)F	907
+FC(F)(F)c1cc(-c2nc(C#N)c(c(NC)c2)N)cnc1OCCC3CCN(CC3)C(=O)OC(C)(C)C	1608
+FC(F)(F)c1cc(NC(Cc2ccc(cc2F)-c3cc(c(OCc4ccc(cc4)OC)nc3)OCC)=O)cnc1C(C)=O	391
+FC(F)(F)c1cc(-c2cnc3n2nc(s3)-c4cccc(S(=O)(=O)C)c4)cnc1N	2921
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4nc(-c5cnc(c(c5)C)OC)c(C)c(C)c4)=O	1608
+c1nc(ncc1-c2ccc(cc2)C3(c4ccc(c(OC5CCCC5)c4)OC)C=CC(CC3)=O)N	1629
+FC(F)(F)C1CCCN1c2ncc(cn2)-c3nc(ccc3)N	8008
+C1OC(CCC1)OCCCN2C(=O)N(c3c(cc(cn3)O)C2=O)C	4393
+C1CCCCC1c2cc3cc(cnc3[nH]2)-c4n(nc(-c5nccnc5)c4)CC	2927
+C1CCCCC1c2cc3cc(-c4n(nc(c4)-c5cnccc5)CC)cnc3[nH]2	2927
+C(C)OC(c1cncc(-c2cnc(NC(NCC)=O)cc2Br)c1)=O	2711
+FC(F)(F)c1csc(-c2c(-c3cc(cnc3)C(=O)OCC)cnc(NC(=O)NCC)c2)n1	907
+c1(cncc(c1)-c2ccc(-c3cc4c(C(N(C4)C)=O)cc3)s2)N	8009
+COc1c2c(C#N)cnn2cc(-c3cnn(C)c3)c1	1029
+n1c(F)c(cc(-c2cnn(C)c2)c1)F	4111
+O(c1ccnc(-c2cnn(C)c2)c1)c3cnc(cc3)[N+]([O-])=O	1396
+O(c1cnc(cc1)N)c2ncnc(-c3cnn(C)c3)c2	2194
+c1(cc(-c2cnn(C)c2)ccc1N)C	320
+c1(c(c(c(cc1)Oc2cc(-c3cnn(C)c3)ncc2)F)F)N	1396
+Nc1ccc(-c2cnn(C)c2)cc1[N+]([O-])=O	320
+c1cc(cc(-c2c(cc(-c3cnn(C)c3)cc2)C=O)c1OC)CC(OCC)=O	320
+CN1C(c2c(C=C1)cc(-c3cnn(C)c3)cc2)=O	320
+c1cc(ccc1N)-c2c(N)ncc(-c3cnn(C)c3)c2	1029
+c1cc(ccc1-c2cnn(C)c2)C=3CCNCC=3	320
+c1cc(ccc1Cl)-c2cnn(c2)C	8010
+n1(C)ncc(-c2nnc(cc2)Cl)c1	3707
+c1ccccc1-c2nn(c3c2cc(-c4cn(nc4)C)nc3)C5CCCCO5	1864
+c1ccccc1S(=O)(=O)n2ccc3cc(-c4cnn(C)c4)cnc23	1029
+n1c([nH]c2ncccc12)-c3cc(-c4cnn(C)c4)cnc3N	1029
+C1CC1n2ncc(-c3cc4c(N(C(C)CN4)C(=O)C)cc3)c2	320
+n1n2c(c(c1)-c3ccnc(Cl)n3)CCCC2	2194
+CC1(C)C(C)(C)OB(O1)c2c(Cl)cnn2C	697
+c1(cc(-c2ccnn2C)c(C)s1)C(=O)OC	1730
+c1(cc(-c2ccnn2C)c(Cl)s1)C(=O)OC	1730
+c1(cc(-c2ccnn2C)cs1)C(=O)OC	1730
+COc1c(-c2ccnn2C)cc(s1)C(=O)OC	1730
+o1c(cc(-c2ccnn2C)c1C)C(=O)OC	4402
+CCn1c(ccn1)-c2coc(c2)C(=O)OC	4402
+CC(C)(C)OC(=O)N(C(C)C)c1ncc(-c2cc(c3nc(C(=O)OCC)cn3c2)-c4ccccc4)s1	8011
+CC1(C)OB(OC1(C)C)c2c(cccc2C)N	2666
+c1ccccc1COC(=O)NC2C(C)(C)C(C)(C#N)CC2	8012
+CC1(C)C(C)=Cc2cc(Sc3cc(ccc3)O)ccc2O1	5
+CC1(C)c2c(ccc([N+](=O)[O-])c2)N=C1C	77
+c1(c(Cl)c(c(c(F)n1)Cl)COC(C2C(C)(C)C2C=C(Cl)Cl)=O)F	204
+ClC(Cl)=CC1C(C)(C)C1C(=O)OCc2cc(ccc2)-c3cscc3	204
+CC1(C)CC(=O)C(C)(C)c2c1cc(C=Cc3cc(C)c(cc3)C(=O)O)c(C)c2	86
+CC1(C)c2c(C(C)(C)CC1CC)ccc(C)c2	8013
+CC1(C)c2ccc(cc2C(C1CC=O)=O)CC	8014
+CC1(C)CCCCC1CN(C)c2cccc(F)c2	891
+CC1(C)c2cc(OC)c(cc2CCC1=O)CC	1818
+ClC1(Cl)C(COS(=O)(=O)c2ccc(cc2)C)C1(C)C	36
+FC(F)(F)c1c(-c2c(CBr)nc3cccc(c3n2)Cl)cccc1	4403
+FC(F)(F)c1cc(Br)cnc1OCC	8015
+c1(cc(cc([N+]([O-])=O)c1C)Br)C(=O)O	1718
+c1c([N+](=O)[O-])cc(cc1Br)[N+](=O)[O-]	1718
+c1cc(cc(c1)-c2c(nc3c(n2)c(Cl)ccc3)CBr)F	4403
+c1ccccc1-c2c(nc3c(cc(F)cc3)c2C(OC)=O)C(C)Br	8016
+C(O)CCc1n2c(c(Br)c1)c(N)ncn2	8017
+CC1(C)Nc2ccc(Br)c(CNc3ccccc3OC)c2N(C1=O)C	1731
+CC1(C)C(=O)N(c2c(N(CC)C1=O)ccc(O)c2)C	5
+CC1(C)C(N(c2c(cc(CCC(OCC)=O)cc2)N(C1=O)C)CC)=O	159
+CC1(C)c2c(N(C)C1=O)cc(O)cc2	5
+c1cc(ccc1)CN2C(C3(CC3)O)COC(C)(C)C2=O	8018
+CC1(C)C(N(c2ccc(cc2N(C)C1=O)OCCCI)CC)=O	363
+CC1(C)C(N(c2c(cc(cc2)CCC(=O)O)N(C1=O)C)CC)=O	3
+CC1(C)C(N(C)c2c(CCl)c(ccc2N1)Br)=O	229
+CC1(C)c2c(N(CC)C1=O)cc(c(c2)[N+](=O)[O-])N	106
+CC1(C)C(=O)N(c2c(cc(C=O)cc2)N(C)C1=O)CC	1543
+CC1(C)C(N(c2ccc(OCCCNS(=O)(=O)c3ccccc3[N+]([O-])=O)cc2N(C)C1=O)CC)=O	71
+O=S(=O)(c1c(cccc1)[N+](=O)[O-])N(CCc2cnccc2)CCCOc3ccc4N(C(=O)C(C)(C)C(=O)N(c4c3)C)CC	2821
+CC1(C)C(=O)N(CC)c2c(N(C1=O)C)cc(OCCCn3c(CN4C=Cc5c(cc(C)o5)C4=O)nc6ccccc36)cc2	1519
+CC1(C)C(NC(c2c(N)c(N)c(Br)cc12)=O)=O	0
+CC1(C)C(NC(=O)c2c1cc(c3c2[nH]c(-c4ccc(c([N+](=O)[O-])c4)C)n3)Br)=O	622
+c1cc(ccc1)-c2cn3ncc(C(=O)N)c(NC4CCC(C(=O)OC)(C4(C)C)C)c3c2	550
+CC1(C)C(c2cccc(Br)c2)Nc3c(cc(cc3C(OC)=O)Cl)C1	414
+O=S(=O)(C1CC1)NC(=O)c2cc3CC(C)(C)C(Nc3cc2)c4c(ccc(c4)F)C	258
+CC1(C)C(=O)Nc2c(CO)c(Br)ccc2N1	98
+C1COCCN1c2cnc3c(NCC3(C)C)c2	15
+CC1(C)C(Nc2ccc(cc2C1)C(OCC)=O)c3cccc([N+](=O)[O-])c3	414
+C1CN(CCN1c2c(cc(C)cc2)C)c3cc(C4Nc5ccc(cc5CC4(C)C)C(=O)O)ccc3	6
+CC1(C)Cc2cc(C(OCC)=O)ccc2NC1c3cccc(N)c3	0
+CC1(C)C(c2c(ccc(c2)F)C)Nc3c(cc(cc3)C(OCC)=O)C1	414
+CC1(C)CC(CCC1O)Nc2c(C#N)cnc(n2)NCCc3cc(Cl)c[n+]([O-])c3	435
+CC1(C)Cc2cc(C(OCC)=O)ccc2NC1c3cc(ccc3)Br	414
+c1cc(ccc1C(CC(C)(C)C(=O)O)=O)Br	882
+O=S1(=O)c2c(cc(c(c2C(=O)C(C)(C)C1)C)C(C)=O)C	902
+CC1(C)C(=O)c2c(C1)cc(CCCCCC)c(O)c2	5
+CC1(C)C(Nc2c(cc(cc2)C(O)=O)C1)c3c(ccc(c3)F)C	6
+CC1(C)C(c2cccc(-c3ccc(cc3)S(=O)(=O)C)c2)Nc4c(cc(C(=O)NS(=O)(=O)C5CC5)cc4)C1	258
+CC1(C)Cc2cc(ccc2NC1c3cccc(c3)NS(=O)(=O)C)C(O)=O	80
+CC1(C)C2(CC2CC1CC=C(C=O)C)C	3799
+FC(F)(F)C(N1CCC2(c3cccc(c3CC1C2(C)C)O)C)=O	520
+CC1(C)C2CCC1(C3=C2C(N(c4c(Cl)cc(F)cc4)N3Cc5c(F)cc(cc5)F)=O)C	4405
+c1cc(ccc1F)CN2N(C(=O)C3=C2C4(CCC3C4(C)C)C)c5ccc(F)cc5Cl	4405
+CC1(C)C(CC=C(C)CO)CC2C1(C2)C	8019
+CC1(C)COc2c(C13C=C(C(N)=N3)F)cc(Br)cc2	8020
+CC1(C)C2=CCC3C4CC=C(C4(CCC3C2(C)CCC1O)C)C(C)CCCC(C)C	8021
+c1cc(ccc1)C(=O)OC2C(C)(C)C3=CCC4C(C3(C)CC2)CCC5(C(=CCC45)C(C)CCCC(C)C)C	279
+CC1(C)C2(C3=C(C(=O)N(N3)c4c(Cl)cc(cc4)F)C1CC2)C	8022
+CC1(C)C2CC1C(C(C(OC)=O)C2)C	204
+CC1(C)C2CC(C(C)C1C2)C(N)=O	2168
+CC1(C)C(C(c2c(O1)ccc(c2)CC(NC3CCCc4ccccc34)=O)N)O	8023
+Cc1cc(cc(C)c1O)CNC(c2sc(c3c2CC4C(C)(C)C34)C)=O	227
+CC1(C)C2C(C(CC1C2)C(=O)Cl)C	130
+CC(C)(c1cc2c(C3C(CCC(=O)C3)C(C)(C)O2)c(O)c1)C(=O)O	4
+CC1(C)C2C1c3c(C2)c(sc3C)C(=O)O	6
+CC1(C)C2=NC(C(=O)NCc3ccc(F)cc3-c4oc(cn4)C)=C(C(=O)N2CCO1)OCc5ccccc5	8024
+CC1(C)C=2N(C(C(=C(C(O)=O)N=2)OCc3ccccc3)=O)CCO1	108
+CC1(C)Oc2c(C(C(C)C)=C1)cc(c(OCC)c2)C(=C(F)C(OCC)=O)C	2905
+CC1(C)C=C(C)c2c(ccc(c2CNc3ccccc3OC)-c4ccc(cc4OC)OS(=O)(=O)CCC)N1	444
+CC1(C)C=C(C)c2c(N1)ccc(c2CNc3ccccc3OC)-c4c(cc(cc4)OC(c5c(nccc5)C)=O)OC	8025
+CC1(C)C=C(C)c2c(ccc(-c3ccc(OCOC)cc3OC)c2CNc4ccccc4OC)N1	1731
+CC1(C)C=C(C)c2c(CNc3ccccc3OC)c(-c4c(cc(O)cc4)OC)ccc2N1	241
+CC1(C)CC(C)(C)CC(c2c(cccc2F)N)=C1	0
+CC1(C)C(C)(C)C=C(C1)c2c(N)cccc2	0
+CC1(C)Oc2c(C(C(C)C)=C1)cc(c(O)c2)C(=O)C	5
+CC1(C)C=C(N2C(C=C(C=C2)C(CCO)O)=O)c3c(O1)ccc(C#N)c3	44
+CC1(C)C=C(C)c2c(c(-c3ccc(cc3OC)OCOC)ccc2N1)CCl	438
+CC1(C)Nc2ccc(c(COc3c(C)ccc(c3)F)c2C(=C1)C)-c4ccc(cc4OC)OCOC	20
+C1CC(CCC1=O)(C)C	1678
+CC1(C)C=Cc2c(cc3c(nc(cc3C)C#N)c2)O1	8026
+CC1(C)Cc2ccc(cc2C=C1)C#N	180
+CC1(C)C2C(c3cc(ccc3O1)CC(=O)NC4CCCc5ccccc45)O2	8027
+CC1(C)CCC(CC(=O)OCC)(C[N+](=O)[O-])C1	3680
+CC1(C)CC(=O)C2=C(NC(=C(C2c3ccccn3)C(=O)OCC)COCCN)C1	18
+CC1(C)c2c(c(C)cc([N+]([O-])=O)c2)NC(=O)C1	31
+c1cc(ccc1C)S(=O)(=O)Nc2c(cccc2)Cc3c4C(CC(C)(C)Cc4n(CC(=O)OCC)c3C)=O	69
+CC1(C)Cc2[nH]c(c(Cc3c(cccc3)[N+]([O-])=O)c2C(=O)C1)C	2188
+c1ccccc1COc2ccc3OC(C)(C)CC(=O)c3c2	22
+CC1(C)C=C(CC(C)(C)C1)c2c(cccc2C)N	0
+c1cc(ccc1C#Cc2cc3c(c(c2)C=O)OC(C)(C)CC3(C)C)CC(=O)OC	129
+O=S(=O)(NC(c1ccc(nc1N2CC(C)CC2(C)C)Cl)=O)c3c(nccc3)O	43
+c1ccccc1S(=O)(=O)NC(c2ccc(-c3cc(cc(F)c3)OCC(C)C)nc2N4CC(C)CC4(C)C)=O	43
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)OCC)c3ccc(O)c(F)c3	233
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)N)c3ccc(cc3)O	2045
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)O)c3ccc(O)c(F)c3	108
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)-c3c(cccc3)CO)c4ccc(cc4)O	88
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccc(cc3)-c4c(COC)cccc4	49
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccc(cc3)C=CC(OCC)=O	233
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccc(cc3)-c4ccccc4C(=O)OC	11
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)O)c3ccc(cc3)O	108
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)OCC(OCC)=O)c3ccccc3	52
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)OCC(=O)N)c3ccccc3	83
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)OCC(=O)O)c3ccccc3	3
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)Br)c3ccc(O)c(F)c3	904
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccc(cc3)Br	904
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)O)c3ccccc3	904
+CC1(C)CC(CC(C)(C)N1)N2C(=O)c3ccccc3C2=O	672
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)Br)ccn2	306
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(-c3ccc(-n4ccc(n4)N)cc3O)nn2)C	5
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3ccc(cc3O)-c4ncn(COCC[Si](C)(C)C)c4)C	5
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(nn2)-c3ccc(cc3OC)-c4ncn(COCC[Si](C)(C)C)c4	1715
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(-c3ccc(-n4nc(cc4)N)cc3OC)nn2	746
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(OC)cc4c(c(O)ccn4)c3)C	746
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(nn2)-c3ccc(cc3OC)O	746
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(cc4nccc(c4c3)Cl)OC)C	120
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(O)cc4nccc(OC)c4c3)C	260
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(cc4nccc(Cl)c4c3)O)C	5
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(cc(cc3)-c4cnc[nH]4)O)C	503
+CC1(C)CC(CC(C)(C)N1)N(c2sc(-c3ccc(-n4nccc4)cc3OC)nn2)C	4173
+CC1(C)CC(CC(C)(C)N1)N(c2sc(nn2)-c3c(cc(cc3)-n4nccc4)O)C	5
+CC1(C)CC(CC(C)(C)N1)N(C)c2nnc(cc2)Cl	212
+CC1(C)CC(CC(C)(C)N1)N(c2nnc(Br)s2)C	2339
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(O)C)ccn2	100
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(N)C)ccn2	18
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(C)N=[N+]=[N-])ccn2	2780
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(C)OS(=O)(=O)c4ccc(cc4)C)ccn2	36
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(=O)C)ccn2	379
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(C)(C)N)ccn2	213
+CC1(C)CC(CC(C)(C)N1)Nc2nccc(n2)-c3ccc(CCC(C)(C)N)s3	3295
+CC1(C)CC(CC(C)(C)N1C)Nc2ncc3c(n(-c4ccc(cc4)OC)nn3)n2	96
+CC1(C)CC(CC(C)(C)N1CC(F)(F)F)(c2ccc(c(c2)C=3CCC(C)(C)CC=3)NC(=O)c4nc(c[nH]4)C#N)O	251
+CC1(C)CC(CC(C)(C)N1CC(F)(F)F)=O	86
+CC1(C)CC(CC(C)(C)N1O)OCC2OC2	649
+CC1(C)CC(CC(C)(C)N1OCC(C)(C)O)NCCCC	87
+CC1(C)CC(CC(C)(C)O1)C(=O)O	459
+CC1(C)CC(CC(C)(C)O1)C(=O)C=[N+]=[N-]	1945
+CC1(C)c2c(ccc(C)c2)C(C)(C)CC1CCO	21
+CC1(C)C(C(=O)O)CCC(O)(c2sc(cn2)-c3cc(cc(c3)C)Nc4nccc(C)n4)C1	4
+CC1(C)CC(CCC1C(OC)=O)(O)c2sc(cn2)-c3cc(cc(c3)C)Nc4nccc(C)n4	836
+CC1(C)CN(C)C(C1)c2nnc3n2cc(F)cc3	757
+CC1(C)OCCC(N2CCN(C(Nc3ccc(Oc4cc(ncc4)-c5cn(nc5)C)cn3)=O)C2=O)C1	3953
+CC1(C)c2cc(C(=O)O)ccc2NC(c3cc(C#N)ccc3)C1	6
+c1ccccc1NC(c2cccc(c2)C3Nc4c(C(C)(C)C3)cc(cc4)C(=O)OCC)=O	67
+CC1(C)CC(Nc2c1cc(cc2)C(=O)OCC)c3cccc(C(O)=O)c3	1
+CC1(C)c2c(NC(c3cccc(N)c3)C1)ccc(Cl)c2	0
+CC1(C)CC(Nc2c1cc(cc2CC)CCCCl)=O	165
+CC1(C)c2ccccc2NCC1	15
+FC(F)(COc1c(CNc2ncc(C#N)c(NC3CCC(O)(C)C(C)(C)C3)n2)cncn1)C	435
+CC1(C)CC(O)(CCC1)CNc2ncnc3c2CN(CC3)c4ncc(C)cc4	40
+CC1(C)C=Cc2cc(Br)ccc2C1	1358
+CC1(C)Oc2cc(C(C)(C)CCCCCC)cc(O)c2C(C(=O)O)C1	16
+CC1(C)CC(c2c(C1)ccc(c2)Br)O	74
+CC1(C)CC(=O)c2c(Cc3ccccc3N)c(C)n(c2C1)CC(=O)OCC	0
+CC1(C)CC(CCS1(=O)=O)c2c3cc(cc(c3[nH]c2)C(N)=O)Br	393
+CC1(C)CC(=O)c2cc(O)ccc12	956
+C1CN(CCN1c2cccc(c2)C3CC(C)(C)c4cc(ccc4N3)C(=O)O)c5c(cc(C)cc5)C	6
+CC1(C)CC1C(=O)Nc2c3c(F)c(cnc3[nH]c2)Br	469
+CC1(C)CC2(CC2)Oc3c(cc(cc13)C#Cc4ccc(c(F)c4)C(=O)O)C5CC5	1
+CC1(C)C(N2CC(c3n4c(c(Cl)ncc4)cn3)CCC2C1)=O	856
+C[Si](C)(C)CCOCn1cc(nc1C(Nc2ccc(cc2C3=CCC(C)(C)CC3)C4(CCS(CC4)(=O)=O)C#N)=O)C#N	616
+CC1(C)CCC(c2ccc(OC)cc2N)=CC1	0
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(Br)cc2C=3CCC(C)(C)CC=3	616
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C=3CCC(C)(C)CC=3)CCC(=O)N	616
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(C=3CCC(C)(C)CC=3)cc(cc2)CCS(=O)(=O)N(C)C	616
+CC1(C)c2c(c(cc(Br)c2)O)C(=O)CC1	5
+CC1(C)CCC(=CC1)c2c(ccc(c2)CCC(=O)N)N	989
+CC1(C)c2c(c[nH]n2)C(CC1)=O	8028
+CC1(C)CCC(C)(C)C1C=O	1143
+CC1(C)CCC(C)(C)C1O	100
+CC1(C)CCC(C)(C)C1C(=O)Cl	130
+CC1(C)CCC(C)(C)C1OC(C2(CC2)NC(=O)OCc3ccccc3)=O	27
+CC1(C)CCC(C)(C)C1OC(=O)C2(CC2)N	1388
+CC1(C)c2cc(C=O)cc(O)c2C(C)(C)CC1	146
+FC(F)(F)S(=O)(=O)Oc1c2C(C)(C)CCC(C)(C)c2cc(c1)C(=O)C	376
+CC1(C)c2c(C(C)(C)CC1)c(cc(C(C#Cc3cc(O)c(cc3)C(O)=O)O)c2)OCCOCC	121
+c1cc(ccc1C#CC(c2cc(c3c(C(C)(C)CCC3(C)C)c2)OCCOCC)O)C(=O)O	121
+CC1(C)c2c(cc3c(NC(N3)=S)c2)C(C)(C)CC1	1357
+CC1(C)CCC(C)(C)c2c1cc(C(=O)CC)c(O)c2	5
+CC1(C)CCC(C)(C)c2c1cc(O)c(c2)C(C)=O	5
+CC1(C)CCC(C)(C)c2cc(N)c(cc12)N	0
+CC1(C)CCC(C)(C)c2c1cc(c(c2)Br)Cn3nccc3	309
+c1cc(ccc1C(Cl)=O)C#CCc2ccc3C(C)(C)CCC(C)(C)c3c2	82
+CC1(C)CC2(CC1)CNC(=O)C2	1980
+c1ccccc1-c2c(cc(CC3CCC(C)(C)CC3)nc2O)OCOP(O)(O)=O	4406
+FC(F)(F)c1cc(ccc1)NC2=CC(C(C)(C)CC2)=O	4407
+CC1(C)CCC(C(C1=O)=CN(C)C)=O	2509
+CC1(C)CCC(=O)Nc2cc(O)ccc12	2599
+CC1(C)CCCC(C)(C)N1c2nc(Cl)cc(Cl)n2	117
+CC1(C)C(CCCC1)CNc2cccc(F)c2	291
+c1c(F)c(c(cc1)F)C(=O)c2sc(nc2N)NC3CCN(CC3)S(=O)(=O)CCCN4CCCC(C)(C)C4	183
+CC1(C)CCC(=O)c2c1cc(Br)cc2OC	1720
+CC1(C)c2c(CCC1)cc(C(C)=O)c(O)c2	5
+CC1(C)CCCc2c1cc(OC)c(C(=O)C)c2	94
+CC1(C)c2ccccc2N(c3ccccc3NC(=S)NC(=O)c4ccccc4)CC1	865
+CC1(C)c2ccc(C(CCCCC)=C)cc2OCC1	2748
+c1cc(ccc1OCC(CCCCC)c2ccc3c(OCCC3(C)C)c2)C(=O)OC	20
+CC1(C)c2ccc(cc2OCC1)N	106
+O=S1(=O)c2c(C(C)(C)CC1)c(c(cc2C)C(C)=O)Cl	902
+CC1(C)CCc2c(nc3c(c2C1)c4c(o3)c(ncn4)NCc5cnccc5)OC	8029
+CC1(C)CCc2c(nc3oc4c(ncnc4c3c2C1)NCc5cnccc5)O	104
+CC1(C)c2cc(OC)ccc2C(=O)C1	8030
+CC1(C)c2c(cc(OC)c(F)c2)CC1	4408
+CC1(C)N(CC(N(c2c(Cl)ccc(F)c2)C1)=O)CC(NS(=O)(=O)c3ccccc3[N+](=O)[O-])C4OC(C(C)C4)=O	4409
+FC(F)(F)S(=O)(=O)Nc1ccccc1CN2CC(C)(C)COC2=S	1422
+CC1(C)CC(N(C1)C)C(=O)NNc2ncc(F)cc2	355
+CC1(C)CN(C)C(c2nnc3n2cc(OC4CCC(c5c4cccc5)N)cc3)C1	870
+O=S(=O)(N1CCN(N=O)C(C)(C)C1)C	4410
+CC1(C)CN(CCOCC2CO2)C(=O)C(C)(C)N1C	649
+CC1(C)CN(C(=S)OC1)Cc2c(N)cccc2	0
+c1cc(ccc1OCOC)-c2nc3c(c(c2)CN4CC(C)N(CC4(C)C)Cc5cnccc5)c(C)nn3C6CCCCO6	2141
+O=S(=O)(CC)c1ccc2c(c1)N(CC2(C)C)C(=O)C	562
+O=S(=O)(c1c(cc2c(N(C(C)=O)CC2(C)C)c1)Br)Cl	240
+C[Si](C)(C)C#Cc1ccc(nc1)N2CC(C)(C)CC2=O	3878
+CC1(C)OCC(CCO)N(C(c2cc(c3oc(nc3c2)NC(C)c4cc(ccn4)Cl)OC)=O)C1	30
+CC1(C)OCC(N(C1)C(=O)c2cn3c(nc(n3)NCc4cccc(Cl)c4)c(OC)c2)CCO	211
+CC1(C)CN(CCN1)S(=O)(=O)C	112
+CC1(C)c2ncc(Br)cc2N(C1)c3c4c(nc(-c5ccccn5)c3C)cc(cc4)F	8031
+CC1(C)CN(c2c1cc(Br)cc2)S(=O)(=O)c3cc(c(OCC(=O)OCC)cc3)C	416
+CC1(C)OB(OC1(C)C)c2cn(nc2)CC(C)(C)O	2790
+CC(C)(O)COc1c(cc([N+]([O-])=O)cc1)OC	626
+CC(C)(O)Cn1cc(nc1)I	2930
+CC(C)(O)Cn1ccc(n1)[N+](=O)[O-]	2790
+CC(C)(O)COc1c(OC)cc(Br)cc1	626
+CC(C)(O)Cn1ncc2cc(ccc12)Oc3c(cc(cc3)F)C#N	4411
+CC(C)(O)COc1ccc(cc1OC)N2C(C=C(C=C2)OCc3ccc(cc3)F)=O	626
+c1ccccc1CN(Cc2ccccc2)CC3CCN(CC3)CC(C)(C)O	170
+O=Cc1c2c([nH]c1)cc(Cl)c(c2)-c3cc4OCC(CO)Oc4cc3	2625
+c1cc(ccc1-c2cc3c(cc2Cl)[nH]cc3C=O)C4(CCC4)CO	2625
+c1cc(ccc1C2(COC2)COCc3ccccc3)-c4c(Cl)cc5[nH]cc(C(OC)=O)c5c4	749
+C1CN(CCN1CCCOc2ccc(cc2)-c3c(Cl)cc4c(c(C(=O)OC)c[nH]4)c3)C	749
+CC1(C)OCC(OC1)CN	18
+c1cc(ccc1)COc2nc(c(cc2)F)NCC3COC(C)(C)CO3	430
+CC1(C)COC(c2ccc(cc2)C(O)=O)=N1	1
+CC1(C)COCC(C)(C)N1N=O	8032
+CC1(C)COCC(C)(C)N1N	1651
+CC1(C)COc2ccc(-c3cc(cnc3)F)cc2C14C=C(C(N)=N4)F	305
+CC1(C)c2cc(cc(c2OC1)Br)C(=O)NC	14
+CC1(C)COc2cccc(Oc3ncc(cn3)[N+]([O-])=O)c12	893
+CC1(C)COc2c1c(O)ccc2	5
+n1cc(cnc1Oc2cccc3OCC(C)(C)c23)N	193
+CC1(C)CC(c2c(n(c(C)c2Cc3ccccc3[N+]([O-])=O)CC(=O)OCC)C1)=O	2318
+CC1(C)Cc2c(C(=O)C1)c(cn2-c3cccc(F)c3)CC	4412
+c1nc(ncc1)-n2c3c(C(=O)CC(C)(C)C3)c(c2)CC	8033
+CC1(C)Cc2[nH]nc(c2CC1)-c3cc4ccc(NC)cc4[nH]3	2931
+CC1(C)Cc2n(cc(C)c2C(C1)=O)-c3cc(Br)c(C#N)cc3	4413
+CC1(C)CC(c2c(n(cc2C)-c3cc4c(cc3)c(N)ncc4C(C)=NO)C1)=O	4413
+CC1(C)Cc2[nH]cc(CC)c2C(=O)C1	2603
+CC1(C)CC(=O)c2c(c([nH]c2C1)C)C(c3ccccc3[N+]([O-])=O)O	8034
+CC1(C)C(c2cccc(-c3ccc(cc3)S(=O)(=O)C)c2)Nc4c(cc(cc4)C(O)=O)C1	11
+CC1(C)Cc2cc(cc(CO)c2O1)Br	98
+CC1(C)Cc2c3[nH]c(nc3cc(C(OC)=O)c2O1)Nc4c(Cl)cccc4C	1701
+CC1(C)Oc2c(cc(-n3cnnn3)cc2C1)C(=O)OCC	797
+Clc1c[n+](cc(Cl)c1NC(=O)c2cc(C3=NC(C)(C)Cc4c3c5c(OC(C)(C)C5)c(c4)OC)ccc2)[O-]	414
+CC1(C)Cc2c(O)cccc2C1N3CCCCC3	5
+c1cc(ccc1S(=O)C)N2CCN(CC2)c3c(C)c4CC(C)(C)Oc4c(C)c3C	357
+CC1(C)Cc2c(C(=O)C1)c(CC)c(C(=O)O)[nH]2	6
+CC1(C)Oc2c(cc(cc2C1)Cl)O	173
+CC1(C)Cc2c(c(OC(C)=O)cc(Cl)c2)O1	196
+CC1(C)Cc2c(c(OC(=O)C)cc([N+]([O-])=O)c2)O1	77
+c1ccccc1COC2C(CCCC2)Nc3cc(ccc3C#N)-n4c5CC(C)(C)CC(c5c(CC)n4)=O	250
+CC1(C)Oc2c(C1)c(c3oc(CC)cc3c2)CO	4414
+c1cc(ccc1-c2c(cccc2)C3=NOC(=O)N3)CN4C(=NC(=C(c5ccc6OC(C)(C)Cc6c5)C4=O)CC)CCC	618
+CC1(C)Oc2c(N)ccc(Cl)c2C1	0
+CC1(C)C(O)c2cccc(OC)c2C1	74
+CC1(C)Cc2c(n3c(C(=O)N(CC3)c4nccc(C5=CN(C)C(C(=C5)Nc6cc7n(CCOC7)n6)=O)c4CO)c2)C1	269
+CC1(C)N2c3c(C(=O)C(=C2)C(NCc4ccc(cc4)Cl)=O)cc(cc3C1)C#CCO	1267
+CC1(C)Oc2c(c3nc([nH]c3cc2C(O)=O)Nc4c(cccc4Cl)C)C1	1
+CC1(C)Cc2c(O1)c(C(=O)OC)cc(Br)c2	47
+CC1(C)Cc2c(NC1c3cc(ccc3)Br)ccc(c2)C(O)=O	6
+CC1(C)C(c2cccc(N)c2)Nc3c(cc(cc3)C(O)=O)C1	6
+c1ccccc1C2=NC(C)(C)Cc3c2c4c(OC(C)(C)C4)c(OC)c3	8035
+CC1(C)Cc2cc(cc(CCl)c2O1)Br	229
+CC1(C)Cc2c(O1)c(OC)cc3C(C(C)(C)N=C(c4cc(C(=O)Nc5c(Cl)c[n+](cc5Cl)[O-])ccc4)c23)O	8036
+CC1(C)Cc2cc3n(CCN(C3=O)c4nccc(Cl)c4CO)c2C1	269
+CC1(C)Cc2cc3C(=O)N(CCn3c2C1)c4c(C=O)c(ccn4)Cl	2334
+CC1(C)Cc2cc3C(N(CCn3c2C1)c4nccc(Cl)c4COC(C)=O)=O	204
+FC(F)(F)c1c(C(=O)Nc2ccc3CC(C)(C)OB(O)c3c2)ccc(F)c1	3576
+CC1(C)Cc2c(cc(C(O)=O)s2)C1=O	6
+CC1(C)c2ccc(cc2C(C)(C)N1C)N	0
+CC1(C)OC2CCCCC2N1c3nc4ccc(CNc5ncnc(Cl)c5[N+]([O-])=O)cc4s3	40
+FC(F)(F)C(NC(=O)C(=O)N1C(C)(C)C(C(=O)OCC)CC1)C	8037
+CC1(C)N(CCN(C1)c2c(OC)cc(N)cc2)C3COC3	0
+CC1(C)N(CCNC1)C	15
+FC(F)(F)c1nc(-c2cccc(C(=O)N3CC(C)(C)N(CC3)c4ccc(C#N)cn4)c2)no1	30
+CC1(C)N(c2scc(n2)-c3c(cc(cc3)C#N)F)C(OC1)=O	180
+CC1(C)N=C(c2cc(N)ccc2N(C1=O)C)c3ccccc3F	0
+CC1(C)N=C(c2c(N(C)C1=O)ccc(c2)[N+]([O-])=O)c3c(F)cccc3	239
+C1CCC2(C1)N(CC(C)(C)NC2=O)Cc3ccccc3	1330
+c1cc(ccc1C(NC)=O)OCC(O)CN(Cc2ccccc2)C(COc3cc4c(OC(C)(C)NC4=O)cc3)C	170
+CC1(C)c2c(C(=O)N1C)c(ccc2)[N+](=O)[O-]	497
+CC1(C)NC(=O)c2c(O1)ccc(OCC(C)NCc3ccccc3)c2	87
+CC1(C)NC=2N(CC1)C(=O)C=C(N=2)Cl	8038
+CC1(C)CN(C(=O)CN1CC(C2CC(C(O2)=O)CC)NS(=O)(=O)c3ccccc3[N+](=O)[O-])c4c(C)cccc4	4409
+CC1(C)N(CCNC1=O)C	8039
+c1ccccc1CN2CCNC(=O)C2(C)C	1330
+CC1(C)Nc2ccc(c(CO)c2N(C)C1=O)-c3cc(ccc3OC)Cl	65
+CC1(C)Nc2ccccc2N(C)C1=O	239
+CC1(C)C(N(c2c(N1)cc(N)cc2)C)=O	0
+c1ccccc1C(Oc2cc(c(-c3c(COc4c(C)ccc(c4)F)c5c(NC(C)(C)C=C5C)cc3)cc2)OC)=O	1039
+CC1(C)C=C(c2c(c(-c3ccc(cc3OC)OCOC)ccc2N1)CO)C	65
+CC1(C)C(=O)N(C)c2c(ccc(-c3cc(ccc3OC)Cl)c2CCl)N1	438
+CC1(C)Nc2ccc(-c3ccc(O)cc3OC)c(COc4c(C)ccc(c4)F)c2C(=C1)C	241
+CC1(C)Nc2cc([N+]([O-])=O)ccc2N(C)C1=O	4415
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1	1423
+CC1(C)OB(O)c2ccc(C=O)cc12	2196
+CC1(C)c2cc(c(F)cc2B(O)O1)C=NO	135
+CC1(C)c2c(ccc(C(Cl)=NO)c2)B(O1)O	761
+CC1(C)OB(O)c2ccc(C=NO)cc12	135
+COc1c(ccc(N)n1)C(=C)C	4416
+c1cc(ccc1)-c2ncc(C(C)=C)cc2	8040
+c1ccccc1-c2nccc(c2)C(C)=C	8041
+n1cc(N)cc(C(=C)C)c1	4416
+FC(F)(F)c1cc(c(OCc2ccccc2)cc1)C3=C(B(O)O)CCCC3	8042
+C(OC(CC1CC=C(CC1)c2c3cc(ccc3ncc2)F)=O)C	8043
+c1(c([N+]([O-])=O)cccc1)C=2CCCC=2	8044
+c1cc(ccc1S(=O)(=O)n2ccc3c2C(=O)N(C=C3c4c(c([N+](=O)[O-])c(cc4)N)Oc5c(F)cc(cc5)F)C)C	4418
+c1cc(ccc1S(=O)(=O)n2ccc3C(c4ccc5OCC(Nc5c4Oc6ccccc6)=O)=CN(C(=O)c23)C)C	4418
+O=S(=O)(c1cc(c(OCC2CC2)cc1)C3=CN(C(C=4CCCCC3=4)=O)C)C	8045
+CN(C)c1cc2c(cc1)C(=O)N(c3cccc(C4=CN(C(C(Nc5ncc(C(=O)N6CCOCC6)cc5)=C4)=O)C)c3)C=C2	8046
+CC(C)(C)OC(=O)N1CC=C(c2cc3c(nnc(C(N)=O)c3Nc4c(cc(cc4)C)F)cc2OC)CC1	563
+CC(C)(C)OC(N1CC=C(c2n3C(c4ncccc4)COc5c3c(n2)ccc5-c6c(noc6C)C)CC1)=O	8047
+FC(F)(F)c1cc(cc(N)c1)C=2CCN(C(OC(C)(C)C)=O)CC=2	563
+FC(F)(F)c1nc(NC(Nc2c3c(ncc2)ccc(C=4CCN(C(OC(C)(C)C)=O)CC=4)c3)=O)ccc1	563
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3c(ncn2)CCC3C	8048
+CC(C)(C)OC(=O)N1CC=C(CC1)c2cc(Cl)nc(Cl)c2	8049
+CC(C)(C)OC(N1CC=C(c2ccc(N)c(CC)c2)CC1)=O	563
+CC(C)(C)OC(N1CC=C(c2cnc([N+](=O)[O-])cc2)CC1)=O	1076
+CC(C)(C)OC(N1CC=C(c2cnc(N)c(-c3noc(n3)-c4ccccc4)n2)CC1)=O	8050
+CC(C)(C)OC(=O)N1CC=C(c2n(c3c(c(ncn3)-c4cc(F)ccc4OC)c2)S(=O)(=O)c5ccccc5)CC1	8051
+CC(C)(C)OC(N1CC=C(CC1)c2ccc(cc2)C(C(OC)=O)C)=O	4385
+CC(C)(C)OC(=O)N1CCC(=CC1)c2nc(c(cc2)C(N)=O)-c3ccc(cc3)C(OC)=O	4419
+CC(C)(C)OC(N1CC=C(c2ncc(cc2)C(=O)Nc3cn4c(cc3)nc(C)c4)CC1)=O	4419
+CC(C)(C)OC(N1CCC(=CC1)c2cnc(nc2)N3CCOC(Cn4c5nc(-c6cn(C)nc6)cnc5nn4)C3)=O	8052
+CC(C)(C)OC(=O)N1CCC(=CC1)c2cc(c3OC(Cc3c2)C4CCN(CC4)c5ncc(cn5)CCC)F	563
+CC(C)(C)OC(N1CC=C(c2cnc(N)c(c2)-c3ncccn3)CC1)=O	1076
+CC1(C)c2ncc(C=3CCOCC=3)cc2N(c4c(C)c(nc5c4ccc(c5)F)-c6ccccn6)C1	1076
+c1cc(ccc1Oc2ccc(c3c2CCC3Oc4ccc5c(c4)OCC5CC(OC)=O)F)C=6CCOCC=6	563
+O=S(=O)(Cc1cc(C=2c3cc(-c4cnn(c4)C)ccc3C(N(C)C=2)=O)c(cc1F)OC)C	4417
+c1(C)ccc(c(C=C)n1)-c2oc(cn2)CC	2407
+O(C)c1c(C(=O)C)cc(Cl)c(C)c1C=C	8053
+c1cc2c(ccc(c2)C=C)c(c1OC)[N+]([O-])=O	2847
+c1cc(ccc1-c2oc3c(cc(c(N(c4cc(Cl)c(C=C)cc4)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	2847
+FC(F)(F)c1csc(-c2cc(NC(=O)NCC)ncc2-c3ccc4C(=O)C(=CN(CC)c4c3)C(=O)OCC)n1	391
+c1(c(-c2cc3ccccc3cn2)cc(N)cc1)C	362
+n1c(C)onc1-c2cc(NC(=O)c3cnc4ccc(cn34)-c5c(n[nH]c5C)C)c(C)cc2	1029
+CN(C)c1c(C#N)ccc(Oc2cc3COB(c3cc2)O)n1	2191
+O=S(=O)(C)CC1OB(O)c2cc(ccc12)OC3CCCC3	8054
+CC1(C)C(C)(C)OB(O1)c2ccc(NS(=O)(=O)C)cc2Cl	80
+O=S(=O)(NCc1cc(cnc1)-c2c(Cl)cc3N(C(=O)CCc3c2)C)CC	156
+FC(F)c1c(-c2ncnc(c2)OC)c(c(Cl)cc1)F	379
+Fc1cc(cc(F)c1-c2nc(C(OC)=O)ccc2F)-c3c(noc3C)C	245
+c1c-2c(CCc3nnc(C)n-23)cc(-c4cncc(C)c4OC)c1F	156
+c1(CO)c(c(cnc1)-c2cc3CCC(N(c3cc2F)C)=O)C	156
+Fc1cccc(F)c1-c2nc(cs2)C(OCC)=O	4213
+FC(F)(F)c1cc(-c2ncnc(C(F)(F)F)c2C)c(N)cc1OCCOC	379
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3cnc(N)c(c3)-c4cc5c(cn4)c(F)ccc5Br)cn2	2926
+n1cc(cnc1Cl)-c2c(c(C=O)ccc2)CC	1207
+CC1(C)OB(OC1(C)C)c2c(C)c(ccc2)NC(=O)c3cc4CCCCc4s3	864
+CC1(C)OB(OC1(C)C)c2c(c(ccc2)N)C	0
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)C#Cc4ccc(OC)cc4C	8055
+Cc1ncc(N)nc1-c2ccc(Oc3nccc4c3cco4)cc2C	1368
+O=S(=O)(c1cc(c(-c2cc(Cl)ccc2C#N)cc1)OC)CC	99
+O=S(=O)(c1ccc(c(c1)OC)-c2cc(ccc2F)-c3c4c(nnc3)n(cn4)CC)CC	756
+O=S(=O)(c1ccc(-c2cc(ccc2F)Br)c(OC)c1)CC	756
+c1c(C)c(C(Nc2ncc(-c3cc(-c4cnn(C)c4)ccc3Cl)nc2)=O)cnc1	1368
+FC(F)(F)c1cc(C=O)c(-c2c(OC)ccc(CC(OCC)=O)c2)cc1	99
+c1cc(cc(-c2c(C=O)cc([N+]([O-])=O)cc2)c1OC)CC(OCC)=O	99
+c1cc(cc(-c2c(cc(cc2)F)C=O)c1OC)CC(OCC)=O	99
+FC(F)(F)c1cc(C=O)c(-c2c(OC)ccc(c2)CC(=O)OC)cc1	99
+c1cc(F)c2C(OB(O)c2c1OCC)C[N+](=O)[O-]	4388
+CC(C)NC(=O)c1c(c(-c2ccc(N)c(n2)C(=O)OC)c(cc1)F)F	245
+CC1(C)OB(OC1(C)C)c2c(CNc3ccccc3C)cccc2C	608
+n1c(c(cc(c1-c2c(cccc2)F)-c3c(cncc3)Cl)[N+]([O-])=O)N	1420
+FC(F)(F)c1c(cccn1)-c2ccc3n(cc(-c4ccc(c([N+](=O)[O-])c4)C)n3)n2	1633
+[N-]=[N+]=NCc1c(-c2c3sc(cc3ccc2)-c4nc(ncc4F)NCCN5CCNC5=O)cc(nc1)F	8056
+c1cc(ccc1)S(=O)(=O)n2cc(c3cc(cnc23)OC)-c4cc(Cl)nc(Cl)c4	8057
+CC1(C)C(C)(C)OB(O1)c2c3ccccc3c(CO)cc2	49
+c12cc(-c3c[nH]nc3)ccc1cncc2	320
+c12n(c(nc(-c3cnn(C)c3)c1)-c4c[nH]nc4)ccn2	4420
+n1cc(-c2cc3OCCc4c(-c3cc2)sc(c4)C(N(c5c(Cl)cccc5)C)=O)c[nH]1	320
+C1CN(CCC1(c2ccc(cc2)Cl)c3ccc(cc3)-c4cn[nH]c4)C	320
+c1cc(ccc1-c2cn[nH]c2)C3(CCNCC3)c4ccc(cc4)Cl	320
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)-c3cn[nH]c3	320
+FC(F)(F)c1[nH]ncc1-c2cc(ncn2)N	2194
+N#Cc1c(c(F)ccc1)-c2cc(ccc2F)-c3cnnc(O)c3	8058
+C1COCCC1Oc2ccc(cc2C#N)-c3ccnc(Cl)n3	379
+CN(C)CCCNc1nc2ccc(cc2cn1)-c3c(ccc(C(NC4CC4)=O)c3)C	99
+C1CC1NC(=O)c2ccc(c(c2)-c3cc4cnnc(N5CC6COC(=O)N6CC5)c4cc3)C	4389
+CC1(C)OB(OC1(C)C)c2cc(c(N)c(N)c2)C	0
+c1(cc(-c2c(nc(nc2CC)N)N)ccc1N)C	1207
+FC(F)(F)c1ccnc(Nc2cc(cc(C)c2)-c3cnc(cc3)C=CC(=O)OCC)n1	156
+FC(F)(F)c1cc(c(-c2c(OC)ccc(CC#N)c2)cc1)C=O	99
+CN(C)CCc1cc(-c2n(C)nc(C)c2C)ccc1OC	8059
+FC(F)(F)C(=C)c1cc(Cl)c(c(Cl)c1)C	2192
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)C(F)F)=C	2192
+CCC(NC1CCCc2c(cncc12)-c3cc(Cl)c4N(C(CCc4c3)=O)C)=O	156
+CC1(C)OB(OC1(C)C)c2cc(cc(Cl)c2)OS(=O)(=O)C	444
+c1ccccc1COC(=O)N2C(c3n4ccnc(N)c4c(-c5ccc(C(=O)Nc6ccccn6)c(F)c5)n3)CCC2	1729
+c1(cc(cc(F)c1-c2n(nc(C)c2C(=O)c3ccc(cc3Cl)F)C)O)F	8060
+O=S(=O)(NC1c2cncc(-c3cc(c4c(CCC(=O)N4C)c3)F)c2CCC1)CC	156
+CC1(C)OB(OC1(C)C)c2cc(cc(N)c2C)F	0
+c1cc(ccc1NC(=O)c2cc(c(nc2)N(CCO)C)-c3cc(cnc3)F)OC(F)(F)Cl	907
+c1ncc(cc1-c2cncc(c2N)[N+]([O-])=O)F	907
+CN1C(c2c(cc(-c3cnn(C)c3)cc2)C(c4c(F)ccc(N)c4)=C1)=O	4396
+FC(F)(F)c1cccc(C(=O)Nc2ccnc(-c3cc(N4CCCCC4)ccc3N)c2)c1	362
+CC1(C)OB(OC1(C)C)c2cc(N3CCCCC3)ccc2N	0
+C1CCCCN1c2cc(c(cc2)[N+](=O)[O-])-c3nccc(c3)C=O	362
+C1CCCCN1c2cc(-c3cc(Cl)ncn3)c(cc2)[N+](=O)[O-]	379
+O=S1(=O)N(c2c(ncc(-c3ccnc(NC(=O)C)c3)c2)C)CC(N(C)C)C1	1420
+CC(C)(C)c1cc(OC(C)C)cc(c1)-c2cc(nn2-c3ccc(cc3)C(=O)N)-c4ccc(cc4)C(=O)OC	1016
+OB(O)c1ccc(c(OC(F)F)c1)Cl	1050
+c1cc(ccc1)CN2N=C(c3cc(c(cc3)O)OC)c4c(cccc4)C2=O	8061
+C1C(CC1)Oc2cncc(-c3ccc4c(c3)c5c(cn4)N(C(N5c6cn(nc6C)C)=O)C)c2	391
+c1c(cc(-c2cc(OCC(O)CN3CCc4ccccc4C3)ccc2)c(c1)OC)Cl	99
+c1cc(ccc1OC)-c2cccc(c2)OCC(O)CN3CCc4c(C3)cccc4	99
+c1cc(ccc1)Cn2c3cc(-c4cccc(OCC(O)CN5CCc6c(C5)cccc6)c4)ccc3nc2	492
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4cc(ccc4)OCCCCl	8062
+C1CC1COc2c(C3=CN(C)C(=O)C(=C3)O)cc(S(=O)(=O)CC)cc2	8063
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)F)N	0
+CCOC(c1c(n(C2COCC2)nc1)-c3ccc(cc3[N+]([O-])=O)-c4c(cc(OCC)nc4C)C)=O	156
+c1ccccc1CSc2ccc3c(ncnc3-c4cc(C)c(cc4OC)Br)c2	379
+CC1(C)OB(OC1(C)C)c2ccc(F)c(c2)COc3ncc4c(CC5C(C(OCC)=O)C45)c3	1424
+O=S(=O)(C)c1c(cc(c(c1)F)F)-c2c([N+](=O)[O-])cc(cn2)Br	245
+CC1(C)C(C)(C)OB(O1)c2cc3c(c(C)c2)[nH]c(n3)N	2932
+FC(F)c1c2cn(nc2nc(-c3ccc(c(C#N)c3)N)c1)C	362
+c1cc(ccc1OC)Cc2cc(C(OC)=O)c(O)c(c2C)Cl	8064
+C1CC1c2c(cc(c(O)c2)C(=O)OC)Cc3ccc(cc3)-n4cccn4	8065
+C1CCCC(n2c3c(ccc(-c4c(CC)cc(OC)c(c4)F)c3)cn2)O1	492
+C1CC1COc2ccc(-c3cc(ncc3)Cl)cc2C#N	2336
+OB(O)c1cc(c(cc1)S(=O)(=O)C)F	1050
+FC(F)(F)C(c1c(F)c(Cl)c(c(c1)Cl)F)=C	2192
+CC(C)(C)OC(=O)Nc1ccc(-c2cncc(C)n2)cc1Cl	1728
+CC(C)Oc1c(cc(-c2ncc(cn2)Br)cc1)C#N	2520
+CC(C)(O)COc1ccc(B(O)O)cc1OC	1050
+C[Si](C)(C)c1c(cc(cc1)-c2nc(C(OC)=O)c(c(c2F)N)OC)F	362
+O(C(=O)c1cc(-c2ccccn2)c(cc1Cl)Cl)C	245
+O(c1c(ccc(C(Nc2c(F)ccc(c2)C)=O)c1)F)c3cc(-c4[nH]cc(c4)C(=O)OC)ncc3	8066
+c1c(C#N)cc(cc1)-c2ccc3COB(c3c2)O	2191
+c1cc(ccc1)COc2cccc(Oc3ccc4c(c3)B(OC4)O)c2	2191
+O=S(=O)(c1cc(C=2c3c(C(=O)N(C)C=2)cncn3)c(F)cc1)C	8067
+FC(F)(F)c1cccc(CNC(=O)c2cc(-c3cc(ccc3[N+]([O-])=O)F)ncc2)c1	362
+c1ccccc1-c2c3c(NCc4ncccc4)nc(-c5cc(cnc5)-c6ocnc6)nc3ccc2	1323
+O=S(=O)(c1cncc(-c2nc3c(-c4cc5c(o4)cccc5)ccnc3cc2)c1)Nc6ccc(cc6F)F	8068
+N#Cc1cc(ccn1)-c2cc(nc(c2)C(=O)Nc3scc(C)n3)C	8069
+C1CC(CCO1)n2c3ccnc(OC)c3c(n2)-c4cc(sc4)C(=O)OC	4421
+CC(C)(C)n1c2ccnc(c2c(-c3cc(sc3)C(=O)OC)n1)OC	4421
+O=S(=O)(N)c1cccc(-c2cc3c(CCCC3=O)cc2)n1	245
+CC1(C)CCC(C)(C)c2cc(-c3nc(ccc3)N4CCC(CCC4)NCCCCO)ccc12	245
+c1cc(ccc1CCC(=O)O)-c2cc3c(N(C(C)CC3Nc4ncc(cc4)C#N)C(C)=O)cc2	99
+CN1C(c2c(C=C1)cc(cc2)-c3ncccc3)=O	245
+O=C1OCc2cc(ccc12)-c3c(c(c(OCC)cc3)OC)OCOC	99
+c1cc(ccc1CNc2c(Cl)c(c(-c3cc4CS(=O)(=O)N(C)c4cc3)cn2)N5CCC(C(O)C5)C#N)OC	156
+O=S1(=O)Cc2cc(ccc2N1C)-c3c4c(ccc(C(NC)=O)n4)cnc3	4422
+C1CC1NS(=O)(=O)c2ccc(cc2)-c3cc(-c4ccc5c(NCC(C)NC5=O)c4)c(nc3)N	156
+C1CC1NS(=O)(=O)c2ccc(cc2)-c3cc(-c4ccc5c(C(C)(C)CNC5=O)c4)c(N)nc3	156
+Cc1cc(ccc1)CC(N2CCc3c2ccc(-c4c5c(n(CC)n4)ncnc5N)c3)=O	918
+c1cc(ccc1)C(CNC(CO)=O)Nc2cncc(-c3ccc4c(c3)c(F)[nH]n4)c2	156
+FC(F)(F)C1=C(C(N(C(c2cc(-c3ccc4cc([nH]c4c3)C(=O)OCC)ccc2)=C1)Cc5c(cc(cc5)C)C)=O)C#N	803
+O=S(=O)(c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1)N	156
+C[Si](C)(C)CCOCn1c2c(nc1C)cc(-c3cc4c(ncnc4cc3)N5CCCc6ccccc56)cn2	8070
+CC(C)(C)OC(NC1CCCN(c2ccnc3c2cc(cc3)-c4nccc(OCc5ccccc5)n4)C1)=O	261
+c1c2c(cn[nH]2)cc(-c3c(nc(CC)[nH]3)-c4cc(c(cc4)F)C)c1	1715
+c1cc(ccc1-c2c(CC)c(cnc2N)-c3cc4c(cn(C)n4)cc3)O	8071
+c1c(ncc(-c2c(c(Cl)cc(C(C)O)c2OC)C)c1)C#N	391
+O(C)c1c(OC)ccc(-c2nn3c(-c4ccc(C#N)nc4)cnc3s2)c1	2921
+CC(C)(C)OC(NC(c1ccc(-c2nn3c(nnc3cc2)COc4ccnc5cc(OC)ccc45)cc1Cl)C)=O	746
+c1c(ncc(c1)-c2ccc(cn2)C#N)C(=O)OC	1797
+C1CCCCC1NC(C2(CC2)c3ccc(-c4ccc(C(NCC)=O)nc4)cc3F)=O	156
+O=S1(=O)CCC(=CC1)c2cc(C)c(cc2)-c3csc4ccc(CO)cc34	1402
+CC(C)(C)S(=O)(=O)Cc1cc(ccc1Cl)-c2ccc(cc2OCCCOC)CCC(OCC)=O	1049
+Cc1cc(cc(C)c1-c2ccc(F)c(COc3ncc4c(CC5C(C(OCC)=O)C45)c3)c2)OCC6(CCOCC6)F	99
+c12c(CC3C(CNC(C)=O)OC(=O)N13)cc(-c4ccc(nc4)N5C(=O)OCC5)cc2	391
+c1cc(ccc1S(=O)(=O)C)N2CC(c3nnc(C)n3-c4ccc(-c5ccc(O)nc5)cc24)C	391
+O=Cc1cc(-c2ccc(nc2)OCC)ccc1-c3c(ccc(CC(=O)OCC)c3)OC	391
+C(#N)c1ccccc1-c2c(ccc(-c3c4ccc(-c5nccs5)nc4ncc3)c2)F	4390
+C1CCN(C1)c2c(C#N)cc(cc2)-c3nc(Cl)ncc3	379
+O(c1cc(cc(OC)c1)CCc2nc3cc(-c4ccc(N5CCN(CC5)C)c(C#N)c4)[nH]c3nc2)C	8072
+n1cc(-c2cc(Cl)c(cc2)C#N)cc(N)c1	156
+FC(F)(F)c1cc(S(=O)(=O)NC)c(cc1)-c2cc(c(-c3cnc(nc3)N)cc2)F	99
+n1cc(cnc1N)-c2ccc(cc2F)-c3ccccc3Oc4ncc(N)cc4	99
+n1(c(-c2ccc(-c3c(C)cnc(OC)c3C)cc2F)c(cn1)C(=O)OCC)C4COCC4	4423
+c1ccccc1-c2nc(C3CN(CCO3)c4cc(nc(N)n4)-c5cc(c(C#N)cc5)F)[nH]c2	379
+CC(C)(C)OC(=O)NCc1c(F)cc(cc1)-c2cc(Cl)nc(c2)Cl	4423
+n1(ncc2c1cncc2-c3cc(c(N)cc3)F)CCOC	8073
+Cc1c(-c2csc(n2)Nc3c(ccc(-c4n(cnc4)C)c3)OC)sc(C)n1	1715
+c1cc(ccc1-n2cccn2)-c3ccc(cc3)-c4nc5c(NC(=O)C5)cc4Cl	245
+c1cc(ccc1C2(CC2)C(=O)OC)-c3ccc(cc3)-c4cnn(C)c4N	1122
+c1cc(ccc1-c2cnn(C)c2N)-c3ccc(cc3)C4(CC4)C(=O)OCC	1122
+c1cc(ccc1-c2c(cccn2)C(O)CCCc3ccccc3)-c4ccc(cc4)C5(CC5)CC(=O)OCC	245
+c1cc(ccc1-c2ccsc2C(O)CCCc3ccccc3)-c4ccc(cc4)C5(CC5)CC(=O)OCC	1402
+c1cc(ccc1-c2cncc3ccc(NS(=O)(=O)c4ccccc4)cc23)-c5cnn(C)c5	4397
+c1cc(ccc1CNC(=O)c2ccc3c(c(cnc3)-c4ccc(cc4)-c5cnn(C)c5)n2)OC	4422
+c1cc(ccc1-c2nc(Nc3nc(ccc3)C)sc2)-c4cnc(N(C)C)cc4	156
+c1cc(ccc1-c2cnc3cnc(cn23)C(N(C)c4ccc(cc4)C#N)=O)-c5oc(nn5)NC	2193
+C1CC(CCN1C(=O)C2CC2)(O)CN3C(c4c(N=C3)n(-c5ccc(cc5)-c6cnc(cc6)N7CCC(C7)O)nc4)=O	156
+c1cc(ccc1-n2c3ncncc3cn2)O	8074
+O=S(=O)(C(CCN1C=C(F)C(c2ccc(cc2)-n3nccn3)=CC1=O)(C)C(OCC)=O)C	4424
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(Nc3cc(ccn3)C(F)(F)F)=O	330
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(=O)Nc3nccc(C)c3	330
+c1cc(ccc1C(NC2CC2)=O)-c3cnc4c(SC)nc(C(N)=O)cn34	2193
+c1ccccc1COC(N2C(c3n4c(c(ncc4)N)c(n3)-c5ccc(cc5)C(=O)Nc6nccc(C)c6)CCC2)=O	1729
+c1ccccc1COC(N2C(c3n4c(c(ncc4)N)c(n3)-c5ccc(cc5)C(Nc6nccc(CC)c6)=O)CCC2)=O	1729
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)(C)CN	51
+CC(C)(CC1(CCN(C(O1)=O)C(C)c2ccc(cc2)-c3nnc(C)cc3)c4ccccc4)C#N	746
+CC(C)(CC1(CC(N(C(C)c2ccc(cc2)-c3ccc(O)nc3)CC1)=O)c4ccccc4)O	156
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)F)C#N	99
+c1cc(ccc1)C(N2c3c(ncc(-c4ccc(cc4)C(NCCN(C)C)=O)c3)NCC2)=O	1642
+FC(F)(F)c1n2CCC(c3nc(-c4ccc(cc4)C(=O)Nc5cc(ccn5)C(F)(F)F)c6n3ccnc6N)Cc2nn1	1729
+CC(C)(C)OC(=O)NNC(C1(CC1)c2ccc(cc2)-c3ncc(C#N)cc3)=O	362
+C1CC1(C(=O)OC)c2ccc(cc2)-c3ccc(c(OC)c3)-n4nnc(c4NC(OC(C)c5ccccc5)=O)C	99
+c1ccccc1C2C(C2)C(Nc3c(-c4ccc(cc4)-c5ccc(cc5)C6(CC6)C(=O)OCC)onc3C)C	99
+c1cc(ccc1)CCNC(=O)c2c(noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)C	99
+c1cc(ccc1F)C=CC(F)(F)C(O)c2c(C)noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC	99
+c1cc(ccc1C2(CC2)C(=O)OCC)-c3ccc(cc3)-c4onc(C)c4C(CC=C)O	99
+c1ccccc1C(C)CNCc2c(noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)C	99
+c1cc(ccc1C2(CC2)C(=O)OCC)-c3ccc(cc3)-c4c(NC(CCc5c(Cl)cccc5)C)c(no4)C	99
+c1ccccc1COC(Cc2c(C)noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)=O	99
+c1cc(ccc1-c2onc(C)c2C(O)c3cn(nn3)Cc4c(Cl)cccc4F)-c5ccc(cc5)C6(CC6)C(=O)OCC	99
+c1cc(ccc1-c2c(CCO)c(no2)C)-c3ccc(cc3)C4(CC4)C(=O)OCC	99
+c1cc(ccc1C2(CC2)C(OCC)=O)-c3ccc(cc3)Br	756
+c1cc(ccc1-c2ccc(cc2)C3(CC3)CC(OCC)=O)Br	756
+CC(C)(C)OC(=O)NC1(CC1)c2ccc(cc2)-c3c(-c4ccccc4)nc5-c6ccccc6Nc7ncccc7-n35	1715
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(-c4ccccc4)c5c(N=C(SC)N(C)C5=O)o3	8075
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3nc4n(cc3-c5ccccc5)nc6ccc(F)cc46	8076
+c1cc(ccc1C23CCC(CC2)(OC3)CC(OC)=O)-c4ncc(N)cc4	245
+c1cc(ccc1C=2N(C(c3cnn(-c4cc(ccc4)C#N)c3N=2)=O)c5ccc(cc5)Cl)-c6cnc(cc6)N	156
+c1cc(ccc1-c2ccc(cn2)Br)C3CCC(CC3)CC(=O)OC	245
+C1CC(CCC1CC(=O)OC)c2ccc(cc2)-c3cnc(nc3)Nc4cc(ccc4)F	1207
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3ccc(nc3)C#N)=O	156
+c1cc(ccc1C2=NOC(=O)N2)-c3n4c(nc3)ccc(NCCCC)n4	8077
+CC(C)(C)c1onc(NC(=O)Cc2ccc(cc2)-c3cnc(c(F)c3)N)c1	156
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3cc(C)c(cc3)C#N)C(=O)N)=O	99
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)-c4c(F)cncn4)=O	379
+C1CN(CCN1C(C)=O)c2cnc(cc2)NC(Cc3ccc(cc3)-c4cc(C)ncn4)=O	379
+c1cc(ccc1CC(=O)O)-c2nccnc2Cl	1728
+c1cc(ccc1CC(OCC)=O)-c2c(C)cc(cc2)-c3onc(C)c3NC(OC(c4c(F)cccc4)C)=O	99
+c1cc(ccc1CC(=O)OCC)-c2nnc(O)c3ccccc23	746
+c1cc(ccc1CCC#N)-c2c3c4c(scc4)c(O)nc3ccc2OC	492
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCC(S(=O)(=O)C)(C(=O)O)C	3
+c1cc(ccc1CCC(C(OCC)=O)(C)S(=O)(=O)C)B(O)O	1050
+c1ccccc1-c2ccc(cc2)CCC(C(=O)NOC3CCCCO3)(S(=O)(=O)C)C	99
+c1cc(ccc1CN2CCN(CC2)C)-c3cc4c([nH]c(C)c4-c5csc(N)n5)nc3	156
+c1cc(ccc1Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC)B(O)O	1050
+C[Si](C)(C)CCOCn1nc(c2c1-c3cc(sc3C2)-c4ccc(cc4)F)-c5ccc(cc5)OC	3212
+CC(C)(C)OC(=O)NC1CN(CC1)C(=O)CN(C(C=Cc2ccccc2)=O)c3ccc(cc3)B(O)O	1050
+CC(C)(C)OC(N(c1ccc(cc1)-c2cn3c(nc(-c4cc(ccc4Cl)N)c3)nc2)C)=O	1207
+C1CN(CCN1c2ccc(cc2)-c3cc4c(nc3)[nH]c5cnc(cc45)CO)C	156
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)-c3c4c5c(scc5)c(O)nc4ccc3OC)=O	492
+C1CN(CCN1)c2ccc(cc2)-c3cccc4c3-c5nc(N)nc(-c6ccc(cc6)F)c5C4=O	1049
+c1(F)cccc(F)c1-n2nc(c3c(nccc23)OC)-c4ccc(cc4)N5CCOCC5	2925
+c1cc(ccc1-c2ncc3N(C(=O)C4COCCN4c3n2)C5CCc6ccc(Cl)cc56)NC(=O)NC	261
+c1cc(ccc1NC(=O)NC2COC2)-c3nc(c4c(C(C)(C)OC4)n3)N5C(C)COCC5	261
+O=S(=O)(c1ccc(cc1-c2nc(N3C(C)COCC3)nc(-c4ccc(cc4)NC(NCCF)=O)c2)F)C	379
+c1cc(ccc1-c2nc(CO)cc(n2)N3C(C)COCC3)NC(=O)Nc4nocc4	261
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2nc(N3CCOCC3C)cc(n2)CS(=O)(=O)c4ccccc4	261
+FC(F)(F)Oc1ccc(cc1)-n2nc(nc2)-c3ccc(cc3)NC(OC4C(C(OCC)C(C(O4)C)OC)OC)=O	8078
+c1ccccc1N2C(=O)C(=C(N2CC(C)(C)O)C)C(Nc3ccc(cc3)-c4cccc5c(nccc45)NCCN(C)C)=O	99
+C1CC1NC(Nc2ccc(cc2)-c3nc(CN(C)C)cc(N4C5COCC4CC5)n3)=O	261
+c1cc(ccc1-c2nccc(N3CCOCC3C)n2)NC(NCCO)=O	261
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3cnc(C#N)c(n3)Cl	1728
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3nc(Cl)c(nc3)C(=O)C	1728
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCC(OCC)=O	52
+c1cc(ccc1-c2ccc3c(c(ccc3)C(=O)OC)c2)O	1049
+c1cc(ccc1O)-c2cc3cnc(C(OC)=O)cc3cc2	1049
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCc3c(onc3-c4c(cccc4Cl)Cl)C(C)C	1411
+c1cc(ccc1-c2nc(c3cccc(C#N)c3c2)O)O	362
+c1cc(ccc1O)-c2ccc3c(ccnc3c2)C(=O)OC	492
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCc3c(oc(C(=O)OC)c3)C	20
+c1cc(ccc1-c2ccc(OC)cc2[N+](=O)[O-])OC	99
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCO	44
+C1CC(CCC1OC2OCCCC2)COc3ccc(cc3)C4=CC(N(CCC(C)(S(=O)(=O)C)C(OCC)=O)C=C4F)=O	4424
+c1cc(ccc1-c2cc(c(N)nc2)OCc3c(Cl)cccc3Cl)OCCN4CCOCC4	156
+c1cc(ccc1-c2ccc(cc2CC)C(=O)O)OCCNC(C(O)c3ccc(cc3)O)C	99
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCOS(=O)(=O)C	7
+c1cc(ccc1-c2cncc(c2Nc3ccc4c(c3C)cc[nH]4)C#N)OCCOC	1642
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCNC(C(O)c3ccc(cc3)O)C	285
+n1cccnc1-c2ccc(cc2)OCc3c(oc(C(=O)OC)c3)C	8079
+c1cc(ccc1OCc2c(C(C)C)onc2-c3c(cccc3Cl)Cl)-c4ccc5nc(C)c(cc5c4)C(OCC)=O	99
+c1cc(ccc1OCc2ccccc2)C3=C(OC(C)(C)C3=O)c4ccc(cc4)C#N	8080
+FC(F)(F)c1cc(ccc1C#N)Oc2ccc(cc2)-c3nc(cc(C=C)n3)C(O)=O	261
+c1cc(ccc1F)Oc2ccc(cc2)-c3cc(cc(n3)NC(C)C(OC)=O)Cl	362
+c1cc(ccc1Oc2ccc(cc2)-c3nc(cc(N(S(=O)(=O)C)CC4COC(C)(C)O4)n3)C(=O)N)F	261
+C1C(C(CN1c2cc(nc(-c3ccc(cc3)Oc4ccc(cc4)F)n2)C(N)=O)O)O	261
+c1cc(ccc1-c2ncccc2)Oc3n(c4C(N(C(N(C)c4n3)=O)C)=O)Cc5cccc(OC)c5	245
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(O)(O)=O	1560
+c1cc(ccc1-c2[nH]c3c(cc(cn3)NC(=O)c4c(C)c(C)[nH]n4)c2)P(C)(C)=O	4425
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(=O)(O)OC	1560
+c1cc(ccc1S(=O)(=O)C2CCOCC2)-c3nc(c(nc3)N)C#Cc4cccc(c4)O	1368
+c1cc(ccc1S(=O)(=O)N)-c2nn(C3CCOCC3)c4ccnc(OC)c24	2925
+c1cc(ccc1-c2cn(C(COC)CC)c3ccnc(c23)OC)S(=O)(=O)N	8081
+c1cc(ccc1-c2cc3c(c(ncn3)Nc4cc(CC(=O)Nc5cccc(c5)F)[nH]n4)cc2)S(=O)(=O)N6CCC(F)C6	492
+C1CC1NS(=O)(=O)c2ccc(cc2)-c3cnc(N)cc3	156
+FC(F)(F)C(C)(O)c1cnc(nc1)-c2ccc(cc2)S(=O)(=O)c3ccc(N)nc3	261
+CC(C)(C)Sc1ccc(cc1)-c2c(OC)cc(-c3cc(ccc3OC)OC)c(OC)c2	99
+FC(F)(F)c1cccc(NC(c2cc(c(c(I)c2)C)-c3ccc(cc3)[N+](=O)[O-])=O)c1	4394
+C1C(CC1=O)(c2ccc(cc2)OCc3cc4c(-c5ccc(OCCOCC)cc5C)csc4cc3)CC(OCC)=O	1402
+n1ccc(-c2cnc(cc2)F)cc1NC(NCC)=O	4372
+n1cc(-c2cn3cc(OC)ccc3n2)ccc1F	8082
+C1CC(CCC1C(OCC)=O)Oc2ccc(cn2)-c3ncc(N)cc3	1797
+CC(C)(C)OC(=O)N1CCc2c(cc(cc2)-c3c(cccn3)OCc4cc(C)ccn4)CC1	245
+CC(C)(C)OC(N1CCc2cc(-c3c(C#N)c(F)ccc3)ccc12)=O	756
+c1cc(ccc1)-c2nc(-c3ccc4N(CCc4c3)C)c(C(CCC)C(=O)OC)c(C)n2	379
+Clc1ccc(c(Cl)c1)CCNc2nc(nc(-c3cc4CC(N(C)c4cc3)C(OCC)=O)c2)OC	379
+n1cc(c2CCCC(c2c1)N)-c3cc4CCC(N(c4cc3)C)=O	156
+n1cc(c2CCCC(O)c2c1)-c3cc4CCC(N(c4cc3)C)=O	156
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cncc(c3)NC(Cc4ccccc4)=O	156
+c1(Cl)cccc(Cl)c1COc2cc(-c3ccc4c(c3)cc(C(=O)OCC)[nH]4)cnc2N	156
+c1cc(ccc1N2C(=NNC2=O)CC3CCN(C3)C(=O)C4CC4)-c5ccc6occc6c5	99
+O=S(=O)(C)Cc1nc(-c2cc3c(n(S(=O)(=O)c4ccc(cc4)C)nc3C)cc2)nc(N5CCOCC5)c1	261
+c1cc(ccc1)-n2c3c(ccc(c3)-c4cc5c(oc(-c6ccc(cc6)F)c5C(NC)=O)cc4N7CCCC7=O)nc2	803
+c1n(c2c(cc(cn2)-c3ccoc3)n1)-c4cccc(-c5c(scc5)C#N)c4	1402
+c1c(F)c(c(cc1)F)N2C(C=Cc3c2nc(NCCCN(CC)CC)nc3-c4cccc(C(O)=O)c4)=O	379
+FC(F)(F)c1cc(-c2nc(CN3CCC(F)(F)CC3)c4ccccn24)ccc1	8083
+c1cnccc1-c2c(cn(CC)n2)-c3cccc(N)c3	1122
+c1(n(nc(c1)NC2=CC(c3cccc(c3COC(=O)C)N4CCc5c6c(sc5C4=O)CCCC6)=CN(C)C2=O)C)COC	4426
+CC1(C)C(C)(C)OB(O1)c2cccc(c2C)N3C(C=C4C(Cl)=CC=CN4C3=O)=O	8084
+CC1(C)OB(OC1(C)C)c2c(CC)c(OCCCC(=O)OCC)ccc2	8
+CC(C)c1cccc(C(C)C)c1-n2c3ccccc3nc2-c4cc(-c5ccc6oc7cccc(OC)c7c6n5)ccc4	1592
+FC(F)(F)COCc1cccc(-c2n(nc(N)c2)-c3ccccc3)c1	1016
+FC(F)(F)COCc1cccc(c1)-c2cc(N)nn2-c3ccc(cc3)F	1016
+C1CN(CCC1=O)c2cccc(-c3ccnc(Cl)n3)c2	379
+c1cc(ccc1-c2cccc(c2)NC)CC(OCc3ccccc3)C(=O)OC	99
+O=S(=O)(c1ccc(cc1)C)Nc2cccc(-c3nn4c(nc(c4)NC(C)=O)cc3)c2	746
+c1(cccc(F)c1N2C(=O)C=Cc3c2nc(nc3-c4c(C)c(C(=O)O)ccc4)NCCCN(CC)CC)F	379
+CC(C)(C)c1ccc(cc1)C(Nc2c(c(ccc2)C=3N=C(Nc4ccc(cc4)CCO)C(N(C=3)C)=O)C)=O	8085
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2C)C3=CN(C(=O)C(=C3)Nc4ccc(cc4)C(OCC)=O)C	4426
+FC(F)(F)C1(Cc2cc(-c3cccc(c3F)[N+]([O-])=O)ccc2O1)c4cc(Cl)cc(Cl)c4	756
+Clc1cccc(c1)-c2c3c([nH]cc3)ccc2	803
+c1cc(F)cc(-c2c3c([nH]cc3)ccc2)c1	803
+c12c(N)cc(-c3c4cc[nH]c4ccc3)cc1n[nH]c2	4427
+c1cc(ccc1-c2c3cc[nH]c3ccc2)F	803
+c1cc(ccc1S(=O)(=O)n2ncc3c2cc(-c4c5c(ccc4)[nH]cc5)cc3-c6oc(CN7CCOCC7)nn6)C	4427
+COc1c(c(c(Cl)cc1C(C)O)C)-c2cc(C#N)ncc2	1802
+O=S(=O)(N1CCN(CC1)Cc2cc3c(o2)C(c4cc(ncc4)NC(c5ccccc5)C)=CN(C)C3=O)C	2710
+FC(F)(F)c1ccc(cc1)-c2cnc3ccc(-c4n(ncc4)-c5ccc(cc5)Cl)cn23	2928
+FC(F)(F)C1(c2c(-c3c(-c4cnn(C(C)(C)C(OCC)=O)c4)cc(cc13)OCC(C)O)cccc2)O	8086
+c1cc(ccc1)COC(=O)N2CC(CC2)Cn3c4c(cc3)cc(-c5cnn(C6CCCCO6)c5)cc4	320
+c1cc(ccc1C)S(=O)(=O)n2ccc3nc(-c4cn(nc4)C5CCCCO5)ccc23	4428
+c1cc(ccc1)COCC(F)(F)Cn2cc(cn2)-c3ccc(N)c(C(=O)NC)n3	1864
+c12cnc(-c3cnn(c3)CCC4CCCCN4C)cc1c5cc(cnc5[nH]2)OC	2933
+CC(C)(C)OC(n1ncc(C=2c3cc(OC)c(cc3C(N(CC)C=2)=O)OC)c1)=O	8087
+CC(C)(C)OC(n1ncc(c1)-c2cccc(C(=O)OC)n2)=O	1864
+CC(C)(C)OC(=O)n1cc(-c2ccc3c(CCC(C)N3C(C4CC4)=O)c2Oc5ccccc5)cn1	320
+CC(C)(C)OC(N1CC(C1)(CCF)n2cc(cn2)-c3nc(-c4cnn(C)c4)cc5nccn35)=O	4420
+CC(C)(Cn1cc(-c2cn3ncc(c(c3c2)NC4CN(c5ccc(cn5)C#N)CC4C)C(=O)N)cn1)O	8088
+c1cc(ccn1)Cn2ncnc2-c3sc4CCOc5c(-c4n3)ccc(c5)-c6cn(nc6)CC(C)(C)O	320
+CC(C)(Cn1cc(-c2ccnc(Cl)n2)cn1)O	2194
+c1nc(C)c(cc1-c2cc3c(cc2)ncc4N(C)C(=O)N(c34)c5cn(C)nc5C)N(CC)C	391
+FC(F)Oc1cccc(c1)S(=O)(=O)Nc2c(ncc(c2)-c3nn4c(nc(c4)NC(C)=O)cc3)Cl	1633
+C1CN(CCN1C)c2ncc(-c3cnc4NCCN(c4c3)S(=O)(=O)c5c(cccc5)Cl)cc2	2711
+CC(C)c1onc(N2CCN(CC2)c3ncc(-c4ccc(N5C(N(C)N=C5)=O)c(c4)F)cc3C#N)n1	391
+c1cc(ccc1C2CCC(c3ccc(cc3)[N+]([O-])=O)N2c4ccc(cc4)-c5ccc(N6CCOCC6)nc5)[N+]([O-])=O	391
+CC1(C)OB(OC1(C)C)C=2C=CC(N(C)C=2)=O	8089
+O=S(=O)(c1nc(cc(n1)-c2cnc(N)c(Cc3ccccn3)c2)N4C5CC(C4)OC5)C	2788
+Cn1nnc(n1)-c2ncc(-c3cc4c(cc3)N5C(C4)C(CNC(C)=O)OC5=O)cc2	391
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(-c3cnc(nc3)N)cn2	3905
+CC(C)(C)OC(N1CCN(CC1)c2ncc(-c3nc(OC(C4CNC(=O)C4)C)c5c(c3)ncn5C)cc2)=O	4401
+O(c1ccnc(-c2oc(nc2)C)c1)c3cnc(cc3)[N+]([O-])=O	8090
+CN(C)C(Cc1cc(cnc1)-c2cnc3N(C(=O)N)CCCc3c2)=O	907
+C1CCCC(n2cc(-c3nc(SC)ncc3)c(-c4cc5cc[nH]c5nc4)n2)O1	8091
+c1(C(NCC)=O)ncc(-c2cc3cc[nH]c3nc2)cc1	907
+CC1(C)OCC(CO1)c2cc(cnc2)-c3nc4cccc(-c5ccccc5)c4c(NCc6ncccc6)n3	1323
+O=S(=O)(c1ccccc1)Nc2cncc(-c3ccc4c(c(Oc5cnccc5)ncn4)n3)c2	3718
+O=S(=O)(c1cc(cnc1)-c2c(c(C(=O)C)cc(Cl)c2F)O)C	4429
+CC(C)(C)NS(=O)(=O)c1cncc(-c2c3c(c(ccc3)-c4ccccc4)c(Cl)nn2)c1	1633
+CC(C)(C)OC(=O)N1CCC(CC1)(Cn2cc(cn2)-c3cnc(c(OC(C)c4c(ccc(F)c4Cl)Cl)c3)N)O	8092
+CC(C)(C)OC(=O)NCCCCCn1ncc(-c2ncc3[nH]c4ncc(OC)cc4c3c2)c1	2933
+n1n(cc(-c2cc3c(cc2)N(C(C)CC3N)C(=O)C)c1)CCOC	320
+c1ccccc1COC(=O)NC2c3cc(-c4cn(nc4)CCOC)ccc3N(C(=O)C)C(C2C)C5CC5	320
+O=S(=O)(C1CC1)n2cc(cn2)-c3nc(N)ccn3	8093
+CN(C)CCNC(=O)Cn1cc(-c2ncc3[nH]c4ncc(OC)cc4c3c2)cn1	2933
+CC1(C)OB(OC1(C)C)c2cnn(c2)CC(=O)NCCN(C)C	271
+C1C(CC1)(Cn2ncc(c2)-c3nc4c(cc3)cnc(c4)Br)O	4428
+c1(C)c(n(C)nc1)-c2cc(C(=O)OC)sc2Cl	1730
+c1cc(ccc1)-n2c(C=3C(=O)C(OC)=CN(Cc4ccccc4)N=3)ccn2	8094
+CC1(C)Cc2ccc(cc2B(O)O1)[N+](=O)[O-]	8095
+CC1(C)c2c(cc(cc2)C=O)B(O)O1	2196
+CC1(C)OC(C(O1)=O)=CC(=O)N(OC)Cc2cc(c(cc2)C)F	2934
+CC1(C)OC(C(O1)=O)=CC(=O)N(OC)Cc2cc(F)ccc2	2934
+c1cc(ccc1F)CN(C(C=C2OC(C)(C)OC2=O)=O)OC	2934
+c1cc(c2nccc(c2c1OC)O)Br	2197
+C(C(CCCCCCCCC)=O)C(=O)OCC	8096
+c12cc(OC)cc(OC)c1c(O)ccn2	2197
+c1cc(ccc1)Oc2c3ccc(OC)cc3ncc2	8097
+c1ccccc1COc2cc3nccc(O)c3cc2	2197
+c1[nH]c2c(c1CCC(OCC)=O)c(C)c(cc2)[N+]([O-])=O	2198
+CC1(C)OC(=O)Nc2c1cc(-c3n(c(cc3)C#N)CC(NCCc4ccc(OC)c(OCC)c4)=O)cc2	9
+CC1(C)OC(=S)Nc2ccc(cc12)Br	4430
+O=S(=O)(C)ON=C(C1C(C)(C)OC(C)(C)O1)Cl	8098
+c1cc(ccc1C(=O)NCC(O)C2COC(C)(C)O2)S(=O)(=O)Nc3c(F)cc(cc3F)F	14
+O=C(C(CC(=O)N(Cc1cccc(F)c1)OC)=O)OC	2935
+C1CC1c2ccc(Br)cc2C3OC34C(=O)C(C)(C)OC4(C)C	3778
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(-c3ccc(cc3Cl)Cl)ccc2C4CC4	3781
+c1c(C)nn(CC(c2c(O)cc(nc2C)C)=O)c1C	8099
+CC(C)(c1ccc(cc1)O)c2ccc(cc2)OCC3OC(C)(C)OC3	72
+CC1(C)OC(CO1)CN2C=C(C(c3c2sc(c3)CCl)=O)C(NCc4ccc(cc4)Cl)=O	1732
+CC1(C)OC(CO1)CN2c3c(C(C(C(NCc4ccc(cc4)Cl)=O)=C2)=O)cc(CN(CC(c5ncccc5)O)C)s3	822
+c1cc(ccc1Cl)CNC(=O)C2=CN(c3c(C2=O)cc(CN(CC(c4ncccc4)O)C)s3)CC(O)CO	265
+c1c(I)cc(c(Nc2c(F)c3nnsc3cc2C(NOCC(CO)O)=O)c1)F	265
+c1cc(c(F)c(Nc2ccc(I)cc2F)c1C(=O)NOCC(CO)O)F	265
+C(c1c(cccc1)OC)C(CO)O	265
+CC1(C)OC(Cn2c(C)c(I)cn2)CO1	8100
+CC(C)CC(C(Nc1nn(cc1)CC(CO)O)=O)N2CC(=CC2=O)Oc3cccc4c3cccc4	265
+CC1(C)OC(COc2ccn3c(ncc3C(OCC)=O)c2)CO1	2936
+c1ccc(c2c(C)nn(Cc3cccc(C)n3)c12)NC(c4cnc5cc(ccn45)OCC(CO)O)=O	265
+CC1(C)OC(COc2cc3ncc(C(Nc4c5c(ccc4)n(nc5C)Cc6cccc(C)n6)=O)n3cc2)CO1	466
+CC1(C)OC(COc2ccn3c(c2)ncc3C(=O)O)CO1	6
+c1cc(ccc1)Cc2cnc(nc2)N3CCN(CC3)c4nc(ncn4)Nc5cnn(c5)CC6COC(C)(C)O6	4170
+CC1(C)OC(Cn2ncc(N)c2)CO1	209
+c1ccccc1C2C(C)(C)OC(N2c3ccc(cc3)N4C(C=CC(c5ncccn5)=C4)=O)=O	8101
+CC1(C)c2c(ccc(-c3cc(cc(C#N)c3)F)c2)NC(O1)=O	160
+CC(C)(CCCC1(C(C1)CO)C)O	3636
+FC(F)(F)c1c(ccc(NC(NCCCN(CC2C3C(C(n4c5ncnc(c5nc4)N)O2)OC(C)(C)O3)C(C)C)=O)c1)Cl	282
+CC1(C)OC2C(C(OC2CN(C(C)C)CCCN)n3c4ncnc(c4nc3)N)O1	45
+CC1(C)OC2C(C(n3cnc4c(N)ncnc34)OC2CN(C)CCC(C)(C)N)O1	102
+CC1(C)N(C2C(O1)CCCC2)c3sc4c(n3)ccc(CN)c4	107
+CC1(C)OC2CCCCC2N1c3nc4ccc(cc4s3)CNc5c(c(Cl)ncn5)N	193
+CC1(C)OC2CCCCC2N1c3nc4ccc(CNc5ncncc5N)cc4s3	511
+c1(F)cc(cc(F)c1C2=CCN(CC2)C(=O)C3OC(C)(C)OC3)N4CC(OC4=O)COC(C)=O	2046
+CC(C)CC1N(C(c2cc(-c3ccc(cc3)Cl)c(Cl)nc2)=O)C(C)(C)OC1	89
+CC1(C)CNC(CO1)CCO	25
+c1ccccc1-c2cccc3nc(-c4cncc(C(CO)CO)c4)nc(NCc5ncccc5)c23	1192
+OCC(CO)c1ccc(cc1)Oc2ncnc(c2C)OC3CCN(CC3)c4ncccn4	1192
+CC1(C)OCC(COCCCN)O1	51
+c1cc(ccc1Br)OCc2csc3c(cnc(N)c23)C(NCCCOCC4COC(C)(C)O4)=O	8102
+N1c2cc(c(OC)cc2CCC1=O)CC(CO)O	265
+CC(C)(CO)c1n(c2cc(F)c(cc2c1)NC(=O)C3(CC3)c4cc5OC(F)(F)Oc5cc4)CC6OC(C)(C)OC6	33
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC4OC(C)(C)OC4)n3	142
+O=S(=O)(OCCCC1OC(C)(C)OC1)C	7
+CC1(C)OC(CO1)CONC(=O)c2cc3snnc3c(F)c2Nc4c(F)cc(I)cc4	514
+CC1(C)OC(CO1)CONC(=O)C2=C3CCCN3C(=O)C(Cl)=C2Nc4ccc(cc4F)I	8103
+CC1(C)OC(CO1)CONC(c2c(c(F)c(F)cc2)Nc3c(F)cc(I)cc3)=O	514
+CC1(C)OCC(Cn2c3cc(F)c(cc3cc2C(C)(C)CO)N)O1	0
+CC1(C)OCC(Cn2ccc(N)n2)O1	161
+CC1(C)COC(CO1)CNc2nc(ccc2F)F	182
+FC(F)(F)c1cccc2C(N(Cc12)C(CC3CCCC3)C(=O)Nc4cnc(C5OC(C)(C)OC5)cn4)=O	1018
+FC(F)(F)c1cccc2c1CN(C(CCSC)C(=O)Nc3ncc(C4OC(C)(C)OC4)nc3)C2=O	1018
+CC1(C)C=2N(C(C(OCc3ccccc3)=C(C(=O)OCC)N=2)=O)CCO1	3850
+c1ccccc1COc2c3c(COC(C)(C)O3)cc(F)c2	22
+C1CCN(C1)c2nc3sc4c(c3c5c2COC(C)(C)C5)ncnc4O	8104
+O=S(=O)(OCCOCCCCCCN1CC(OC1=O)c2cc3c(cc2)OC(C)(C)OC3)C	7
+Clc1cccc(Cl)c1COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4	149
+c1cc(ccc1Br)COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4	149
+CC1(C)Oc2cccc(CCOS(=O)(=O)C)c2CO1	7
+CC1(C)OCc2c(nc(nc12)Cl)N3CCOCC3C	54
+CC1(C)Oc2c(CO1)cc(C(CNCCCCCCOCCCCc3cc(ccc3)NC(=O)Nc4ccccc4)O)cc2	132
+CC1(C)ON=C(c2cnc(SC)c(Cl)c2)C1	1272
+CC1(C)C=C(C(C)C)c2cc(C(=O)C)c(OCC)cc2O1	116
+CC1(C)CC(c2c(cc(cc2O1)C(C)(C)CCCCCC)OCc3ccccc3)C(=O)O	4431
+c1cc(ccc1C#Cc2ccc(cc2)C(=O)N(Cc3cc4C(OC(C)(C)Oc4cc3)=O)CCCCCC)CCCC	30
+CC1(C)Cc2c(O1)c(C(OCC)=O)cc(N)c2	0
+CC1(C)Cc2c(c(C)c(C)c(N3CCN(CC3)c4ccc(cc4)SC)c2C)O1	79
+CC1(C)Oc2c(c(c3oc(CC)cc3c2)CCl)C1	8105
+c1c(OC)c(c(cc1CC(c2ccc3OC(C)(C)C=Cc3c2)=O)OC)OCc4ccccc4	8106
+CC1(C)C=Cc2cc(OC)c([N+](=O)[O-])cc2O1	77
+CC1(C)C(C)=Cc2cc(Sc3cccc(c3)OC)ccc2O1	1336
+CC1(C)Oc2c(cc(cc2)F)CC1CCO	44
+CC1(C)Cc2c(c(C)c(c(Cl)c2O1)C=O)C	582
+CC1(C)Oc2c(ccc(Cl)c2C1)N=C=O	1044
+CC1(C)C(c2c(c(ccc2Cl)N=C=O)O1)=S	1044
+CC1(C)Oc2c(NC1)cc(c(F)c2)Br	15
+CC1(C)Oc2c(O1)ccc(c2)CN	817
+CC1(C)Cc2cc(C=C(C)C)cc(c2O1)OC	8107
+FC(F)(F)c1ccc(cc1)C(O)c2c(c3C(CC(C)(C)Oc3cc2C(C)C)=O)C4=CCCCC4	704
+C1CN(CCC1C(=O)OCC)CCc2c(c(ccc2)O)CO	2937
+CC1(C)Oc2cc(cc(c2C=3CN(C(OC)=N)CCC1=3)OC)C(C)C(C)CCCCC	2641
+FC(F)(F)c1cccc(C2(CC2)NC(=O)c3c4OC(C)(C)Cc4c5c(nc(Nc6c(cccc6C)Cl)[nH]5)c3)c1	14
+FC(F)(F)c1ccc(NC(c2c3c(c4c(c2)[nH]c(n4)Nc5c(cccc5Cl)C)CC(C)(C)O3)=O)nc1	8108
+CC1(C)Cc2cc(cc(C(O)=O)c2O1)-n3nnnc3	6
+CC1(C)Cc2c(ccc(C3=C(CC)N=C(CCC)N(Cc4ccc(cc4)-c5c(C#N)cccc5)C3=O)c2)O1	1100
+CN(C)C=1N(c2ccc3OC(C)(C)Cc3c2)C(C(Cc4ccc(cc4)-c5ccccc5C#N)=C(N=1)CCC)=O	8109
+C[Si](C)(C)C#Cc1cc2C(C)(C)CC(C)(C)Oc2c(C=O)c1	263
+c1cc(ccc1CN(C)C2CCOCC2)NC(C3=Cc4c(S(=O)(=O)CC3)ccc(c4)-c5ccc6OC(C)(C)CCc6c5)=O	750
+CC1(C)Oc2c(cc(cc2)F)CC1CCOS(=O)(=O)c3ccc(cc3)C	36
+CC1(C)Oc2ccc(F)cc2CC1CCN=[N+]=[N-]	254
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c3c(CC(C)(C)O3)c(cc2)Cl	8110
+CC1(C)Oc2c(C(OCC)=O)cc([N+]([O-])=O)cc2C1	31
+CC1(C)Oc2c(cccc2N)C1=S	0
+CC1(C)Oc2c(N)ccc(c2C1=S)Cl	196
+CC1(C)Oc2c(c(cc(c2)C(C)C(C)CCCCC)OC)C=3CN(C#N)CCC1=3	65
+CC1(C)OC(=O)c2ccc(cc2O1)Oc3c(cc(cc3)C=O)F	46
+CC1(C)Oc2c(O1)ccc(C=NO)c2	135
+CC1(C)Oc2ccc(F)cc2CC1CCN	18
+c1cc(ccc1C#Cc2ccc(cc2)OC)CNc3ccc4OC(C)(C)OC(=O)c4c3	208
+CC1(C)C(c2ccc(Br)cc2S1(=O)=O)O	74
+CC1(C)c2c(cc(C(C)=O)c(c2Br)OC)CCC1	65
+CC1(C)C(CC=CC)C(=O)c2c1ccc(CC)c2	4432
+CC1(C)c2c(C(C1)N)cccc2	474
+CC1(C)c2ccc([N+](=O)[O-])cc2C(=O)C1	77
+CC1(C)c2cccc(c2C(=O)N1C)N	0
+CC1(C)CC(CC)C(C)(C)c2cc(C)c(C(C)=O)cc12	94
+CC1(C)c2c(C(C1)NS(=O)(=O)C)cccc2	111
+C1N(CC1Nc2cncc(N3C(c4c(cc(cc4)Cl)C3(C)C)=O)c2)C(C)=O	58
+CC1(C)c2c(S(=O)(=O)CC1)c(cc(c2Cl)C(C)=O)Cl	902
+CC1(C)CCSc2c(cc(c(Cl)c12)C(C)=O)C	94
+CC1(C)c2c(N(CC)C1=O)cc(c(c2)N)N	0
+CC(C)n1c(N)nc2cc3N(CCCCC)C(C(C)(C)c3cc12)=O	4039
+CCc1cccc(CC)c1NC(N2Cc3c(-c4nc5cc6C(C)(C)C(=O)N(c6cc5[nH]4)CC)[nH]nc3C2)=O	4200
+CC1(C)C(=O)N(c2cc3[nH]c(nc3cc12)N)CC	2932
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4[nH]nc5c4cc(C(=O)O)cc5)[nH]3)CC	567
+CC1(C)c2c(N(CC)C1=O)cc(c(c2)N)N	0
+CC1(C)C(=Nc2c1cc(cc2)O)C	477
+c1ccccc1S(=O)(=O)Nc2cc(C3CC(C)(C)c4c(N3)ccc(Cl)c4)ccc2	69
+CC1(C)CNc2cc(cnc12)Br	15
+CC1(C)CNc2c1cnc(c2)Cl	15
+c1ccccc1COC(NC(C(N2c3c(cccc3)C(C)(C)C2C(NCCCC)=O)=O)CC)=O	8111
+C[Si](C)(C)C#Cc1ccc2c(C(C)(C)CC(O2)=O)c1	263
+CC1(C)CCS(=O)(=O)c2c1c(c(cc2Cl)C(=O)O)Cl	2199
+CC1(C)c2c(c(cc(c2)N)C)NC(C1)=O	0
+CC1(C)c2c(CO1)c(nc(-c3ccc(cc3)Br)n2)Cl	64
+C[Si](C)(C)C#Cc1cc2C(C)(C)CCC(=O)c2c(c1)O	263
+CC1(C)CC=C(C(C)C)c2c1cc(C)c(Br)c2	252
+CC1(C)c2c(Br)c(OC)c(C(C)O)cc2CCC1	74
+CC1(C)c2ccc(CN)cc2B(O)O1	817
+CC1(C)OB(O)c2c1cc(c(F)c2)C=O	2196
+CC1(C)CCc2cc(c(cc12)F)O	5
+CC1(C)c2cc3c(cc2C(C)(C)C1(C)C)[nH]cn3	8112
+CC1(C)c2c(cc(C=NO)cc2)B(O)O1	135
+CC1(C)C(N(C)c2cc(ccc12)OC)=O	239
+CC1(C)c2c(cc3[nH]c(SCc4ccccn4)nc3c2)C(C)(C)CC1	602
+CC1(C)c2c(ccc(-c3cc(cc(C#N)c3)F)c2)NC(=S)O1	4430
+CC1(C)COc2ccc(cc12)C=O	146
+FC(F)(F)C1(CC(=NO1)c2ccc3c(C(C)(C)OB3O)c2)c4c(c(c(c(c4)Cl)F)Cl)F	1423
+FC(F)(F)C1(c2c(c(Cl)c(c(Cl)c2)Cl)Cl)CC(=NO1)c3cc4C(C)(C)OB(c4cc3)O	1423
+FC(F)(F)C1(CC(c2ccc3c(C(C)(C)OB3O)c2)=NO1)c4cc(Cl)c(c(c4)Cl)C(F)F	1423
+CC1(C)C(CC(C)(C)c2ccc(C)cc12)CCCl	221
+CC1(C)CCC(C)(C)c2c1cc(C(=O)CC)c(O)c2	94
+FC(F)(F)S(=O)(=O)Oc1ccc2c(C(C)(C)CC2=O)c1	376
+CC1(C)c2c(N=C1C)ccc(N)c2	0
+CC1(C)c2c(Cl)c(C(C)=O)cc(Cl)c2SCC1	94
+CC1(C)c2cc(ccc2-c3ccccc13)-c4cc(-c5cccc6c7c(cccc7)sc56)cc(c4)Cl	8113
+c1cc(ccc1C#Cc2cc3c(c(c2)OC(C)C)C(CCC3(C)C)=O)CC(=O)OC	129
+O=S(=O)(NC(c1ccc2c(C(C)(C)CC(N2)c3cc(C#N)ccc3)c1)=O)C	258
+CC1(C)c2cc(C=O)cc(OCCOCC)c2C(C)(C)CC1	8
+CC1(C)c2c(ccc(O)c2)C(C1)=O	5
+CC1(C)CCC(C)(C)c2cc(c([N+](=O)[O-])cc12)N	0
+CC1(C)C(C)(C)C(C)(C)c2cc([N+](=O)[O-])c(N)cc12	0
+CC1(C)c2c(C(C)(C)CC1)cc(c(c2)C)-c3nc(ccc3OC)C=O	119
+CC1(C)c2cc(c(C=Cc3ccc(cc3)C(=O)O)cc2C(C)(C)CC1=O)Cn4nccc4	8114
+CC1(C)OB(O)c2c1cc(C(=NO)Cl)c(F)c2	761
+CC1(C)CCC(C)(C)c2c1cc(OCOC)c(C(CC)=C(C(OCC)=O)F)c2	2905
+CC1(C)c2cc(c(C=Cc3cc(C)c(C(O)=O)cc3)cc2C(C)(C)CC1=O)Cn4nccc4	309
+CC1(C)C(CCc2cc(C#C)c(cc12)OC)=O	1800
+CC1(C)CC(N(c2cc3[nH]c(nc3cc12)-c4[nH]nc5ccccc45)CC)=O	567
+CC1(C)COc2c(cc(C(=O)O)cc12)Br	500
+C[Si](C)(C)C#Cc1cc(C2CC2)c3c(C(C)(C)CC(C)(C)O3)c1	263
+C[Si](C)(C)C#Cc1cc(c2OC3(CC3)CC(C)(C)c2c1)C4CC4	263
+c1cc(ccc1C#Cc2cc3c(C(=O)CCC3(C)C)c(O)c2)CC(=O)OC	129
+CC1(C)c2cc(ccc2N=C1C)OCCCCCC(O)=O	3
+CC1(C)c2cc(-c3cc(Cl)ccc3)ccc2NC1=O	11
+c1cc(ccc1)-c2cnc3c(c2)C(C)(C)C(C)=N3	89
+c1cc(ccc1)-c2nc(nc(-c3ccccc3)n2)-n4c5ccc(cc5c6cc7-c8c(cccc8)C(C)(C)c7cc46)Br	8115
+c1cc(ccc1)-n2cnc3cc4c(cc23)C(C)(C)C(C)(C)C4(C)C	8116
+CC1(C)c2c(N(C)C1=O)cc(-c3cnc(Cl)o3)cc2	2138
+CC1(C)CCC(CC(OCC)=O)(O)c2cc(Br)ccc12	2040
+CC1(C)CCOc2cc(C(CCCCC)CO)ccc12	2938
+CC1(C)c2ccc(-c3ocnc3)cc2N(C)C1=O	2939
+FC(F)(F)C1(ON=C(c2ccc(c(C)c2)C(NCc3cc4c(C(C)(C)OB4O)cc3)=O)C1)c5cc(Cl)c(c(Cl)c5)F	14
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c3ccc(c(C)c3)C(NCc4cc5c(C(C)(C)OB5O)cc4)=O)=NO1	14
+CC1(C)CC(=O)Nc2cc(ccc12)N	106
+c1cc(ccc1)C(c2ccccc2)N3c4ccccc4C(O)(c5c(O)cc6OCC(C)(C)c6c5)C3=O	1115
+CC1(C)CCC(C)(C)c2cc(OC)c(cc12)C(=O)CC	94
+CC1(C)CCC(C)(C)c2cc(c(C(=O)C)cc12)OC	8117
+CC1(C)CC(c2cc(N)ccc12)=O	0
+CC1(C)N(C(C)(C)c2c1cc(cc2)Nc3ncc(c(NC4CCCN(C(C=C)=O)C4)n3)F)C	55
+CC1(C)c2ccn(c2-c3cc(CC)ccc13)CC(C)O	8118
+CC1(C)c2c(N(C1)C(=O)C)cc(cc2)N	0
+CC1(C)C(=O)N(c2cc(ccc12)CO)C	49
+FC(F)(F)c1cnc(nc1Nc2c3C(=O)N(C)C(C)(C)c3ccc2)Nc4ccc(CP(OCC)(OCC)=O)cc4OC	73
+C1CC1(CCN2C(=O)OC(C)(C)c3ccccc23)N	8119
+CC1(C)CCN(c2ccccc2N)c3ccccc13	0
+CC1(C)c2ccccc2N(CC1)c3ccccc3NC(=S)N	401
+CC1(C)c2ccc(cc2NCC1)[N+](=O)[O-]	77
+CC1(C)c2ccccc2N(CC1)c3ccccc3[N+]([O-])=O	4434
+CC1(C)c2ccc(CC)cc2-c3n(ccc13)CC(C)N=[N+]=[N-]	2135
+CC1(C2CN(C(=O)C12)CC=C)c3cc(ccc3)N	0
+C1C2C(CN1CC=C)C2(c3cc(N)ccc3)C	15
+CC1(C2CN(C(=O)C12)CCCCCC)c3cc(ccc3)N	0
+CC1(C2CN(C(=O)C12)CCCCCC)c3cc(ccc3)O	477
+C1C2C(CN1CCCCCC)C2(c3cc(O)ccc3)C	15
+C(=O)(N)CCC1CC(OC(=O)C)CCC1(C)C2CCC3(C)C(CCC3C2OC(C)=O)=C	527
+CC12C3CCC4(C(C(C)CCC(OC)=O)CCC4C3C(O)CC1CC(CC2)O)C	27
+CC12CCC(CC1CC(C3C4CCC(C4(C)CCC23)C(C)CCC(OC)=O)=O)O	86
+C1C2CC(OC(C)=O)CCC2(C3C(C1)C4C(C(Cl)=C(C=O)C4)(C)CC3)C	2657
+CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C	410
+CC12C3CCC4(C(CCC4C=O)C3CCC1CC(C)(O)CC2)C	24
+CC12C3CCC4(C(CO)CCC4C3CCC1CC(C)(O)CC2)C	21
+CC12CCC(CC1CC(C3C4CCC(C4(C)CCC23)C(C)CCC(=O)O)=O)O	4
+C1(=C(C#N)C(C(=C(C)N1)C#N)c2ccc3c(c2)c([nH]n3)N)C	575
+C=1(N(C)N(C(=O)C=1CN)C)C	8120
+CC1=C(C(OC)=O)N(C(C(OC)=O)=C(C)N1)c2cccc(N)c2	0
+CC1=C(C(OC)=O)N(C(=C(C)N1)C(OC)=O)c2cc(ccc2)N=C=S	1034
+CC1=C(C)C(=O)N(C1=O)CCOC(=O)C	27
+[O-][N+](C=1C(=O)N(N(C)C=1C)c2ccccc2F)=O	8121
+FC(F)N1C(=NN(c2cc(OC)c(cc2)C)C1=O)C	8122
+FC(F)(F)c1c(ccc(F)c1)-c2c(c(C(=O)Nc3ccc(cc3)S(=O)(=O)C)cn2C(C)C(O)C)C	8123
+c1cc(ccc1OCc2cc(Cl)c(cc2)Cl)CN3CCC(C(C3)C)C(=O)O	48
+CC1CC(CC(C)C1)=O	86
+C1(CC(CC(C)O1)(c2nc(COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC)cs2)F)C	3709
+CC1CC(CCN1C(=O)OC)N	8124
+Clc1ccc(c([N+]([O-])=O)c1)NC2CC(C)N(CC2)C(=O)OC	205
+CC1CCC(C)N1C(=O)CSC#N	8125
+C1(C)CCCC(C)N1C(=O)c2csc(-c3ccccc3C)n2	1241
+C#CCCN1CCCC1C	3939
+c1c(cc(c(c1)N2C(C)CCC2)C=O)Br	34
+c1cc(ccc1-c2n3c(ccn3)nc4CCCCCc24)OCCCN5C(CCC5)C	53
+c1cc(ccc1OCCN2CCCC2C)-c3nc(CC(=O)OC)co3	53
+c12c(cnc(CCN3CCCC3C)c1)cc(cc2)Br	236
+C1COCCN1C(=O)c2coc(-c3ccc(cc3)OCCCN4CCCC4C)n2	53
+c1cc(ccc1OCCCN2CCCC2C)-c3sc4CNCCc4n3	53
+c1cc(ccc1OCc2ccccn2)-c3oc(C)c(CCN4C(C)CCC4)n3	1306
+C1(N(c2cccc(Nc3c4nccn4nc(Cl)c3)n2)CCC1)C	361
+n1cc(cnc1N2C(C)CCC2)Br	117
+c1cc(ccc1)CN2N=C(N3c4ccccc4CC3C(N5CCCC(C5)C)=O)C=CC2=O	10
+CC1CCOc2cccc(c12)O	241
+n1cc(cnc1Oc2cccc3OCCC(C)c23)[N+]([O-])=O	893
+O=S1(=O)c2c(cc(c(C)c2C(C)CC1)C(=O)O)C	902
+CC1CNCC(C)C1=O	25
+C1C(C)C(C(CN1C(=O)OCC)C)=O	1600
+C1C(C)N(C(CN1Cc2ccccc2)C)S(=O)(=O)c3cccc(C#N)c3	92
+c1cc(ccc1N2CC(C)N(C(C2)C)C)C(=O)OCC	2690
+CC1CN(CC(C)N1)c2ccc(cc2)C(Nc3cc([nH]n3)CCc4cc(OC)cc(OC)c4)=O	4435
+FC(F)(F)CNC(=O)C1(c2c(-c3c1cccc3)cccc2)CCCCN4C(C)CN(CC4C)c5nc6ccccc6s5	28
+C1C(C)NC(CN1c2ccc3occ(c3c2)C(=O)N(C)C)C	25
+c1cc(ccc1C(C#N)CCCCCCCCCCCN2CC(C)OC(C)C2)Cl	3886
+CC1CN(CC(C)O1)CCCCCCCCCCCCl	1883
+C1C(C)OC(CN1c2c(F)c3onc(C(=O)OCC)c3cc2C=O)C	39
+CC1CN(CC(C)O1)c2c(cc(c(F)c2F)-c3cnc(C)cn3)C=O	4202
+C1(CN(CC(C)O1)c2c(ccc(F)c2F)CO)C	49
+C1CC(CCN1Cc2cnccc2)n3ncc4c(nc(nc34)Cl)N5CC(C)OC(C)C5	565
+C1(C)CN(CC(C)C1)c2ccc(cc2[N+](=O)[O-])Br	34
+c1cc(ccc1C(C)=C(CN2CC(C)CC(C2)C)C)C(C)(C)CC	8126
+c1cc(ccc1OCCCN2CC(C)CC(C2)C)C(=O)OC	53
+C1C(C)C(C(CN1C(=O)OCC)C)=O	66
+FC(F)(F)c1ccc(-c2nc3ccc(N4CC(C)OC(C4)C)nn3c2)cc1NC(C(C)(C)C)=O	212
+CC1CN(CC(C)O1)c2nc(nc(Cl)c2)-n3c(nc4c(cccc34)OC)C(F)F	54
+C1(CN(CC(C)O1)c2cc(c(cc2)C(=O)OC)C)C	34
+C1(CN(CC(C)O1)c2cnc(cc2)[N+]([O-])=O)C	244
+C1(C)CN(CC(C)O1)C(C2CC2c3sc(CCCC)cc3)=O	58
+N1CC(C)N(CCCCl)CC1C	1569
+O=NN1CCN(C(=O)C)C(C1)C	4410
+C1(N(CCOC1)Cc2cc(c(Br)cc2F)F)C	48
+C(N1CCOCC1C)c2nc(ccc2)Br	315
+c1(N2CCOCC2C)cc(nc(Cl)n1)C(=O)OC	54
+c1cc(ccc1)S(=O)(=O)Cc2nc(Cl)nc(N3CCOCC3C)c2	54
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(ccc4c(S(C)=O)c3)C(=O)N5C(C)COCC5	30
+Clc1nccc(n1)N2CCOCC2C	54
+c1(cc2CCCC(C)c2cc1OC)C(=O)C	94
+C1CN(CCN1c2ncnc3c2C(C)CC3O)C(N(Cc4ccc(cc4)Cl)CCN(CC)CC)=O	54
+FC(F)(F)C(N1CC(C)c2ccc(nc2CC1)O)=O	520
+N(N=C1C(N(N=C1C)c2ccc3c(CCO3)c2)=O)c4cc(cc(c4O)-c5cc(C(=O)O)ccc5)F	4436
+c1(c2ccccc2c(O)nc1C)CC(=O)O	8127
+CN1N(C(C(C=O)=C1C)=O)C	8128
+Clc1ccc2c(C(C(CC=O)C2)=O)c1	8129
+c1ccc(CCC)cc1OCOC	374
+c1ccccc1COCc2nc(N)nc(c2-c3cc(c(N)cc3)CC)N	8130
+c1cc(ccc1-c2ccccc2-c3cccnc3)Cn4cccc4CC	4437
+FC(F)(F)c1cc(ccc1)N2C(N(C(C3=C2CCC3=O)c4ccc(cc4S(=O)(=O)C)C#N)CC)=O	8131
+FC(F)(F)c1c(cccc1)-c2ccc(C(=O)OC)cc2OCC	8
+c1c(c(O)c(C=O)c(F)c1)OCC	8
+c1([N+]([O-])=O)cccc(c1C#N)OCC	8
+c1cc(F)nc2c1ccn2CC	4098
+c12ccc(nc1cc(OCC)c(c2)F)C	8
+c1c(cc2c(C(C(C(=O)OCC)=CN2CC)=O)c1)Br	8132
+c1ccc(cc1OCC)CC(OC)=O	8
+c1c2c(ccc1OCC)c(-c3cnccc3)cs2	8
+c1cc(ccc1)COC(=O)C2CCN(C2)CC	28
+c1cc(ccc1C=Cc2n(CC)cc(-c3c(cc(Cl)cc3)Cl)n2)Br	541
+O=S(=O)(C)Nc1ncc(C(=O)NCC=CC(=CC)CC)cc1	802
+CCC(=CC)c1ccc2sc(C(=O)OCC)cc2c1	1425
+c1(oc2cc(C(CC)=CC)ccc2c1)C(=O)OCC	4113
+C(C)C(CC)(c1cc(c(O)cc1)C)c2ccc3sc(cc3c2)C(=O)OCC	4438
+C1(Oc2cccc(C)c2O1)(CC)C	2893
+O(c1cccc(OC)c1C(C)(O)CC)C	1589
+c1(c2c(c(C)c(C)[nH]2)c(cc1)Br)C(=O)O	8133
+c1c(cc2c(C)c([nH]c2c1)C)Br	518
+c1cc(ccn1)-c2cc3c(s2)C(NC(C)(CC)N3CC)=O	4301
+c12c(c(c(cc1)OC)Cl)CC(CCC(=O)CC)(C2=O)CCCC	2104
+c1cc(ccc1N2C(CC)=CC=C(C#N)C2=O)F	8134
+COc1cc(-c2nc(co2)CC)ccc1O	8135
+c1cc(ccc1Cl)SCC(=O)CC	4439
+c1cc(ccc1SCC(CC)=O)-c2c(n3CCCc3n2)-c4ccncc4	4439
+c1ccccc1-n2nc(CC)cc2N	752
+c1cc(ccc1)NC(CC(CC)C)CC	231
+c1(cc(n[nH]1)CC)CC	3735
+C(CC)(=O)C(C(CC)=O)Cc1ccc(cc1)Br	8136
+c1cc(ccc1-n2c(cc(CC)n2)CC)OC	2734
+CN(C)C=C(C(=O)CC)C(OC)=O	2740
+Clc1cccc(c1)-c2nc(CC)cc(O)n2	4306
+CN(C)C=C(C(=O)OCC)C(=O)CC	2740
+c1cc(ccc1CC(C(=O)CC)C(=O)OCC)-n2cccn2	1251
+c1cc(ccc1CC(C(=O)CC)C(=O)OCC)S(=O)(=O)C	1251
+C(CCC(CC)O)CCC	100
+Clc1c(ccc(C)n1)-c2oc(cn2)CC	8137
+Clc1cnc(-n2c(ccn2)NC(CC)=O)c(Cl)c1	195
+CCC(N1Cc2n(CC1)nc([N+]([O-])=O)c2)=O	8138
+CCC(NC1CCC(C(=O)O)C1)=O	68
+CCC(Nc1cc(Cl)c(F)cc1)=O	26
+c1ccccc1COC2=C(N(C=C(NC(CC)=O)C2=O)CC(OC)OC)C(=O)NCc3cc(ccc3)Cl	8139
+c1c2OCC(Cc2ccc1)NCCC	8140
+CCC(Oc1c(c(F)ccc1)F)=O	385
+c1(F)c2Cc3c(ccc(C(CC)=O)c3F)-c2ccc1	94
+C1c2c(CC1N(C(CC)=O)CCC)cccc2	58
+CCC(c1c2ccc(cc2[nH]c1CC)C(=O)OC)=O	432
+c1(cc(cc(C)c1OC)C(=O)CC)C	94
+CCC(Nc1cccc(C#N)c1)=O	26
+CCC(OCC(Nc1sc2cc(OC)ccc2n1)=O)=O	8141
+C1(Cc2c(cccc2)OC1)N(C(CC)=O)CCC	58
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCN(CC4)C(=O)CC	58
+c1ccccc1N(C(=O)CC)C2CN(CCC2)Cc3ccccc3	192
+c1cc(ccc1C(=O)CC)OC	94
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(Cl)ccc(-n4cccc4CNC(CC)=O)c3Cl	68
+O=S(=O)(NC(=O)CC)c1ccccc1-c2ccc(cc2)CC3=C(CCCC)N=C(N(c4ncc(cn4)OC)C3=O)C	2738
+c1cc(ccc1CN2CCN(CC2)c3ncccn3)CNC(CC)=O	68
+C=1(OC(=O)c2c(cccc2)N=1)CC	3310
+c1(ccccc1C(=O)O)NC(=O)CC	26
+c1cc(ccc1)C(CNC(CC)=O)Nc2cncc(c2)Br	68
+c1ccccc1CNC(c2sc(NC(CC)=O)nc2C)=O	290
+c1ccccc1COC(CC(C)(C)c2cc(ccc2OC(CC)=O)P(=O)(CP(OCC)(OCC)=O)OCC)=O	385
+c1cc(ccc1SC)C(CC)=O	94
+n1cc(-c2cc(NC(CC)=O)ccc2)nc3ccccc13	26
+CCC(NC1CCCc2c(Br)cncc12)=O	68
+CCC(=O)N(Cc1cccc(I)c1)c2cc(-c3[nH]nnn3)ccc2	4440
+FC(F)(F)c1ccc(cn1)-c2nc3c(ncnc3NC4CN(CC4)C(CC)=O)n2C	516
+c1n2CCN(Cc2nc1NC(CC)=O)c3cc(-c4c(C)cc(cn4)C)c(Cl)cn3	43
+CCC(=O)Nc1cn2CCNCc2n1	4441
+CCC(NC1CCCc2c(cncc12)-c3cc4CCC(N(c4cc3)C)=O)=O	9
+CCC(=O)Nc1cn2ccncc2n1	1018
+N(c1c(scc1)C(Nc2cccc(OC)c2)=O)C(C(Cl)CC)=O	8142
+c1c(Br)ccc2ccc(cc12)OC(CC)C(=O)OC	289
+c1cc(cc2c1ccc(O)c2)OC(CC)C(=O)OC	289
+O=S(=O)(NC(C(CC)C)CO)c1ccc(cc1)Cl	71
+OC(C#N)CC(C([N+](=O)[O-])C)CC	2069
+Clc1cc(c(CO)cc1)OC(CC)C	521
+c1cc(ccc1OC)SC(CC)C	8143
+CCC(C=1N=C2C=CC=C(C)N2C(C=1I)=O)N=[N+]=[N-]	8144
+CCC(N)C=1N=C2C=CC=C(C)N2C(C=1I)=O	1426
+CCC(CC)(c1cn(nn1)Cc2cc3c(C(c4cc(ccc4)F)=CC(=O)O3)cc2)O	642
+c1cc(ccc1S(=O)(=O)OCC#CC(CC)(CC)OC2OCCCC2)C	8145
+C(C)C(CC)c1cccc2NC(=O)Nc12	564
+c1ccccc1COc2ccc(cc2C)C(CC)(CC)c3nc4ccc(C(=O)OC)cc4o3	1692
+C(C)C(CC)(c1ccc(OCc2ccccc2)c(C)c1)c3nc4cc(C(=O)OC)ccc4o3	1692
+CCC(CC)(c1c[nH]c2c(cccc12)NS(=O)(=O)C)c3cc4cc(oc4cc3)C	1263
+C(C)C(CC)=C(c1ccc(c2c1cccc2)C=NNC(=O)c3cc(c(O)cc3)Cl)C(=O)N	8146
+CCC(CC)C(=O)Nc1cc2C3=NC=C(C(O)=O)C(N3C=Nc2cc1)=O	127
+O=S(=O)(c1ccc(Cl)s1)NC(C=O)C(CC)CC	24
+CCC(CC)C(Nc1ccc2ncnc(c2c1)N)=O	26
+C(C)C(CC)C(=O)c1sc2ccccc2c1C	2940
+CCC(CC)C(Nc1ccc(cc1)C(NCCC(O)=O)=O)c2c(c3c(s2)cccc3)C	3
+CCC(CC)C(Nc1ccc(cc1)C(=O)NCCC(OCC)=O)c2c(c3c(s2)cccc3)C	14
+C(OC)(=O)C(C(OC)=O)=CNc1c2c(ncn1)ccc(NC(C(CC)CC)=O)c2	8147
+C(C)C(CC)CCNCc1cc(c(cc1)Oc2ncc(C(=O)N)nc2)F	42
+C(C)C(CC)Nc1nc(Cl)ncc1[N+](=O)[O-]	40
+CCC(CC)NC1=C(C(C1=O)=O)Nc2ccc(Cl)c(S(=O)(=O)N(OC)C)c2O	993
+C(C)C(CC)Nc1cc(nc(Cl)c1[N+]([O-])=O)C	105
+C(C)C(CC)Nc1c(cc(C(OC)=O)cc1)[N+](=O)[O-]	60
+C(C)C(CC)NC(=O)c1ccc(cc1)-c2scc(Br)c2CC(=O)OC	14
+CCC(CC)NC(C=Cc1ccc(cc1)O)=O	711
+CCC(CC)NC(=O)Oc1ccccc1	101
+C(C)C(CC)NC(n1c2ccc(Oc3cc(ncc3)N)cc2cc1)=O	2121
+c1cc(ccc1-c2scc(-c3ccccc3Cl)c2CC(=O)NC(n4cccn4)=N)C(NC(CC)CC)=O	8148
+CCC(CC)NC(c1ccc(cc1)-c2scc(-c3c(Cl)cccc3)c2CC(O)=O)=O	4
+CCC(CC)n1c2c(cnc(n2)Cl)cc1C(OCC)OCC	4442
+CCC(CC)c1c2c(c(Cl)cc1)nc3N(CCn23)c4ccc(Cl)cc4Cl	8149
+C(C)C(CC)c1c2n(C)c(nc2c(Cl)cc1)Oc3c(Cl)cc(cc3Br)Cl	2200
+C(C)C(CC)c1ccc(c2nc(Oc3c(cc(Br)cc3Cl)C)n(C)c12)Cl	2200
+CCC(CC)c1c2c(c(cc1)Cl)nc(Nc3ccc(Cl)cc3Cl)n2CCO	44
+CCC(CC)c1cc(cc(OC)n1)C(=O)O	1
+CCC(CC)c1nc(cc(-c2onc(n2)-c3cc(c(c(C)c3)NS(=O)(=O)C)CC)c1)OC	529
+CCC(CC)c1c2c(nc(Cl)n2C)c(cc1)Cl	1088
+C(C)C(CC)c1ccc(Cl)c2NC(=O)N(CC(OCC)=O)c12	196
+C(C)C(CC)n1c2nc(Cl)ncc2cc1C(=O)O	2634
+CCC(CC)n1c(C=O)cc2c1nc(Cl)nc2	1921
+OC(COCCCC)COCC(CCCC)CC	850
+c1cccc2nn(nc12)-c3cc(cc(c3O)COCC(CCCC)CC)C	555
+c1cccc(C(C2=NNC(N2CC(CC)C)=S)O)c1Cl	3547
+O=S(=O)(C)OCC(CC)C	7
+O=S(=O)(Nc1ccc(c(c1)O)C(=O)OCC(CC)OC)c2cc(c(Cl)s2)-c3c(O)ccc(F)c3	47
+C(CN(CCC)C1Cc2ccc(cc2C1)Br)C	15
+O=Cc1c(nc(SC)nc1Cl)NC(C)CC	40
+FC(F)(F)c1nc(c(c(n1)NCC)[N+](=O)[O-])NC(CC)C	40
+FC(F)(F)C(=O)NC(C(=O)O)CC	8150
+c1ccccc1COC(=O)NC(CC)C(O)=O	544
+c12c(NC(C=3N=C4N(C(=CC=C4)C)C(=O)C=3I)CC)ncnc1nc[nH]2	3392
+O=S(=O)(N1CCC(CC1)Nc2nc(N)c(cn2)C(=O)c3c(ccc(F)c3F)OC)CCCNC(CO)CC	284
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(cn3)C(=O)NC(CC)CO)F	56
+c1ccccc1Nc2c3ncn(C)c3nc(n2)NC(CO)CC	96
+c1c(ncnc1Cl)NC(CC)CO	40
+CCC(N1Cc2n(nc(N)c2)CC1)=O	161
+CCC(N1Cc2cc(NC3=CC(=CN(C)C3=O)Br)nn2CC1)=O	523
+CCC(N=C=S)(CCCl)c1c(F)ccc([N+]([O-])=O)c1	221
+c1cc(ccc1N(C)C(=O)C2CCC(C2)NC(CC)=O)-c3nc4ccccc4n3C	429
+c12CCC(NC(CC)=O)Cc1ccc(OC)c2[N+]([O-])=O	77
+c1cc(ccc1)CN(C(CC)=O)c2cc(C#N)ccc2	1126
+c1cc(ccc1C#Cc2cc(F)ccc2)-c3nc(on3)C(CC)OC	859
+c1cc(ccc1OC)C(CC(=O)CC)=O	2201
+c1(O)c(c(F)ccc1C(CC)=O)F	4443
+c1cc(ccc1Nc2ncc(Br)c(SC(CC)CO)n2)S(=N)(=O)C	2147
+CCC(c1cnc2c(cccc2c1Cl)OC)=O	120
+c1(cc(C(CC)Nc2cc(Br)c(C)cc2)ccc1Cl)C	3800
+C(C)C(=NOC)c1cc(c(O)c(c1)CN)Br	189
+c1(cccc(CCC)c1)Br	165
+CCC(c1ccc2occc2c1)=O	8151
+C=1COc2c(c(O)c(C(CC)=O)cc2)C=1	1318
+c1cc(ccc1C(=C(CC)c2ccc3occc3c2)c4ccc(cc4)O)OCCCl	1051
+CCC(c1cccc(c1)O)=O	5
+c1cc(ccc1C(c2ccc(cc2)O)=C(c3cccc(c3)OCC(OCC)=O)CC)O	1051
+CCC(c1cccc(OCC(OCC)=O)c1)=O	52
+CCC(c1cccc(c1)OCCCC(OCC)=O)=O	8
+CN(C)CCOc1cccc(C(CC)=O)c1	72
+c1cc(ccc1C(c2ccc(cc2)O)=C(CC)c3cc(ccc3)OCCCC(=O)OCC)O	1051
+c1cc2c(ncc(C(CC)=O)c2Nc3c(C)cccc3)c(O)c1	179
+CCC(c1cnc2c(cccc2c1Cl)O)=O	390
+C(C)C1(CC)c2cc([N+]([O-])=O)ccc2N(C)C1=O	31
+CCC1(CC)CNCCC1N	25
+C(C)C1(CC)c2cc(NC(=O)C)c(cc2N(C1=O)C)[N+](=O)[O-]	77
+C(C)C1(CC)C(Nc2ccc(cc12)[N+](=O)[O-])=O	31
+CC(C)N1C(C(CC)(CC)c2cc(N)ccc12)=O	0
+C1(N(C(=O)NC12CC(C)(CC)NC(C2C)(C)CC)C)=O	3701
+CCC=CCCC(CCC=CCC)OS(=O)(=O)C	7
+CCC=CCCC(CCC=CCC)C#N	4444
+COc1c(C(O)CC)c(F)ccc1	1512
+c1c(C)c(c(cc1C(O)CC)C)-n2c(c(Cc3c4c(ccc3OCC)cccc4)c(n2)CC)CC	1482
+OC(c1cccnc1F)CC	1831
+C1C(CN1c2cc3c(cc2)OCC(C3Cc4ccccc4)NCCC)NS(=O)(=O)CCC	110
+c1cc(ccc1)COc2cc(cc(F)c2)C3(COC(CC)O3)CC	8152
+c1ccccc1C=2CCN(CC=2)CCC#Cc3ncc(NCCC)cc3	839
+C1CC(CCN1Cc2ccccc2)N(CCC)C3Cc4c(ccc(OC)c4)CC3	61
+C(CC)(c1c(OC)c(ncc1)OC)O	3280
+CCCOc1cccnc1N	458
+n1n(CCC)ccc1[N+](=O)[O-]	338
+O(c1c([N+]([O-])=O)cccc1)CCC	8
+c1cc(c(c(c1OCCC)Cl)C)[N+]([O-])=O	8
+c1(C=O)cc(OCCC)c(cc1)OC	8
+C(O)(c1cc(ccc1F)Br)CCC	8153
+c1c(cc(F)c(c1)N2C=NN(CCC)C2=O)Br	8154
+c1ccccc1C2=NCC(=O)N(c3ccc(cc23)Cl)CCC	988
+c1ccccc1N(C(CC(C)CC)CC)CCC	936
+C1(=O)c2ccccc2C(=O)N1C3CCC(CC3)OCCC	176
+c1ccccc1-c2c3c(n(c2C)CCC)cccc3OC(C)(C)C(=O)OCC	339
+c1ccccc1COc2c(c(SC)cc(C=O)c2)OCCC	8
+c1nc(ncc1OCC)-c2ccc(cc2)CCCCCOCCC	176
+C(COc1cccc2c1cncc2)C	8
+Clc1cc(c(NC(=O)CCC)cc1)C(=O)N	26
+FC(F)(F)CCN1CCN(CC1)c2c(ccc(Cl)c2)NC(=O)c3cc4c(CCN(C4)C(=O)CCC)cc3	58
+Oc1nc(CCC)nc2nc3c(cc12)cccc3	8155
+C(C)CC(Nc1c(ccc([N+]([O-])=O)c1)O)=O	26
+C(c1ccc(c(c1O)C)O)(CCC)=O	94
+C(C)CC(Nc1cc([N+]([O-])=O)ccc1)=O	26
+c1ccccc1-c2cnc3c(c2)c([nH]n3)NC(CCC)=O	195
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3ccc4[nH]c(CCC)nc4c3	442
+c1cc(ccc1Oc2ccccc2)C(=O)CCC	214
+c1cc(ccc1-c2c3c(ncnc3n(C4COCCN(C4)C(CCC)=O)n2)N)Oc5ccccc5	10
+c1cc(ccc1CCC(C(=O)OCC)(C(=O)OCC)NC(C)=O)Sc2ccc(cc2)C(=O)COC(=O)CCC	4445
+c1cc(ccc1C(=O)CCC)Sc2ccccc2	214
+C(C)CC(CCC)(C(=O)OCC)Oc1c(C=O)cc(Cl)cc1	494
+C[Si](C)(C)OCC(CCC)(CCC)COC	19
+C(CC)C(CCC)C(N(C(CC=C)C(=O)O)C)=O	4
+CCCC(CCC)c1ccc(cc1)OCc2ccc(cc2)-c3ccc(C=O)s3	139
+CCCC(CCC)c1ccc(cc1)OCc2ccc(cc2)-c3ccc(s3)CO	1364
+CCCC(CCC)c1ccc(cc1)OCc2ccc(cc2)-c3sc(cc3)CCl	8156
+Clc1ccc(c(Cl)c1)-c2c(c(NC(CCC)C)ncc2)[N+]([O-])=O	70
+C[Si](C)(C)OC(CC#C)(CCC)CCCC	19
+C1C(CCCN1C(=O)c2cnc(c(Cl)c2)Cl)CCC	1558
+c1cc(ccc1-c2sc(cc2)CCCCC)OC(=O)C=CCCC	2358
+FC(F)(F)c1ccc(cc1)-c2cccc(NCCCC)c2	291
+c1(cc2c(nc(s2)Cl)cc1)NCCCC	291
+C1CCCCC1CC(C(OCC)=O)(C(OCC)=O)CCCC	3270
+c1(cc(c(cc1)OCCCC)O)C=O	8
+c1c(F)c(c(cc1)F)C(Nc2nn(Cc3ccc(cc3Cl)OCCCC)cc2)=O	8
+c1c([N+]([O-])=O)cccc1C(=O)c2cccn2CCCC	1878
+c1c(C)nc(cc1)OCCCC	1923
+c1ccccc1CNC(CN2CCc3cc(c(cc3C2Cc4ccc(OCCCC)c(OC)c4)OC)OC)=O	8
+c1cc(ccc1)COC=2C=CN(CCCC)C(=O)C=2	8157
+CN(C)C(C)(CCCC)C#N	735
+FC(F)(F)c1ccccc1C(=O)N2CCN(CC2)c3ccc4n(n3)cc(n4)CCCC	1823
+O(CC)C(=O)C(C(OCC)=O)CC(c1ccc(cc1)-c2ccc(cc2)NC(CCCC)=O)=O	26
+C(C(=O)c1c(sc2c1cccc2)-c3ccc4c(c3)ccc(OCC(=O)OCC)c4Br)CCC	1487
+C(C(=O)c1c(-c2cc3ccc(cc3cc2)OC)oc4ccccc14)CCC	2617
+c1cc(ccc1CN(C(=O)CCCC)c2ccccc2)-c3ccccc3C(=O)OC	192
+CCCCc1c(C)nc(c(C#N)c1)O	8158
+CCCCC(CC(=O)OC)C	27
+O=S1(=O)c2cc(C=O)ccc2N=C(N1)C=3C(=O)C(CCCC)(CCCC)c4ccc(cc4C=3O)F	674
+O(C)c1c(F)cc2C(C(Cc2c1Br)CCCC)=O	65
+CCCCc1cc(Cl)n2c(ccn2)n1	1591
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)NCCCCC	291
+OC(CCCC)C#CC	8159
+c1(ccc(C#CC(O)CCCC)c(c1F)F)F	3685
+C(CCC1(CCCCCC)c2cc3c(cc2-c4ccccc14)CC(C3O)C)CCC	74
+c1cc(ccc1NCCCCCC(CCCCCCCCCC)=O)C(OCC)=O	601
+CCCCCCCCCCCC(NO)=N	409
+c1cc(C(=O)CCCCCCCCCCC)sc1	1808
+c1cc(ccc1-c2onc(CCCCCCCCCCC)n2)C=O	4446
+c1cc(cc2c1nc(nc2NCCCCCCCCCCCC)Cl)[N+](=O)[O-]	8160
+FC(F)(F)C(=O)C=Cc1ccc(cc1)OCC(NCCCCCCCCCCCC)=O	9
+c12c(C(=O)N(C1=O)Cc3sc(S(=O)(=O)NCCCCCCCCCCCC)cc3)cccc2	1427
+c1ccccc1C=NCCCCCCCCCCCC	853
+C(CCCCN(CCO)CC)CCCCCCC	183
+C(Cc1sc(C=O)cc1)CCCCCCCCCC	968
+C(CO)CCCN(C(Nc1c(F)cc(cc1)F)=O)CCCCCCC	326
+C(Oc1cc(CCN)ccc1OCCCCCC)CCCCC	157
+c1(C=C[N+](=O)[O-])cc(c(OCCCCCC)cc1)OCCCCCC	417
+O(C)C=1C(N(C=CC=1)CCCC)=O	8161
+O=C(OCC)C(=NOCCCC)C(C)=O	4447
+O=S(=O)(N(CCCC)C1CCCOc2ccccc12)C	2821
+C1(C#N)=C2CCCC(=O)C2=CN(CCCC)C1=O	8162
+c1(cc(cc(C)c1OCCCC)C=O)C	116
+c1ccccc1Cn2cnc3c2C(NC(=O)N3CCCC)=O	3419
+c1ccccc1CN2c3c(ccc(c3CCC2=O)CC4SC(NC4=O)=O)OCCCC	116
+c1(ccccc1Br)NN=C(C(NCCCC)=O)C#N	8163
+N(C(=O)c1cccc(c1OC)OC)CCCC	14
+Cc1nc(N)nc(NCCCC)c1Cc2c(cc(cc2)Br)OC	8164
+c12nc(nc(c1[nH]cn2)N)NCCCC	96
+c1(cc(ccc1[N+]([O-])=O)F)NCCCC	250
+c1cc(ccc1CC#N)Sc2c(nc(N)nc2C)NCCCC	40
+c1ccccc1S(=O)(=O)c2n[nH]c3c2cc(OCCNCCCC)cc3	463
+n1cc(n2c1ccc(NCCCC)n2)Br	232
+C(CN(CCCC)C(=O)OCOC(=O)C1=C(SC=Cc2scnc2CO)C(C3C(C(=O)N13)C(C)O)C)CC	8165
+C(C)CCN(CCCC)C(c1nn(-c2c(C#N)cc(OC)cc2)c(c1Cl)C)=O	926
+C(CN(CCCC)SN(C(Oc1cc(C)c(c(c1)C)N=Cc2c(O)cccc2)=O)C)CC	8166
+O=S(=O)(CCCCCCl)N(C)CCCC	112
+CCCCNC(=O)C(C(N)CCCC)O	18
+c1cc(ccc1)S(=O)(=O)CCCc2cc(C(OCC)=O)nn2CCCC	4281
+C1OCCC1(NC(=O)c2cncc(N)c2)C(OCCCC)=O	4370
+FC(F)(F)c1c(cc(cc1F)C=CC(OCCCC)=O)F	233
+Fc1cc(cc(F)c1C)C=CC(OCCCC)=O	233
+c1cc(ccc1-c2cc(sc2S(=O)(=O)NC(=O)OCCCC)CCCC)Cn3ccnc3	3269
+c1ccccc1COC(NC2CCN(C(OCCCC)=O)C2)=O	66
+n1c(c(Cl)cnc1Cl)C=COCCCC	8167
+c1cc(c(C)c(n1)CSc2nc3ccccc3[nH]2)OCCCC	8168
+FC(F)(F)c1cnc(-c2ccc(cc2)C(O)CCCC)cc1	758
+S(c1cc(C)c2nnc(c(Cl)c2c1)C(=O)N)C	3404
+FC(F)(F)c1c(-c2ccccn2)ccc(NC(=O)Nc3ccc(cc3)Oc4ncnc(c4)NC)c1	4448
+O=C1c2c(cccc2)C(=O)N1C(c3c(-c4ccccn4)nc5sccc5c3)C	4449
+c12c(cccc1)C(=O)N(C2=O)C(C)c3c(nc4c(c(ccc4)Cl)c3)-c5ncccc5	8169
+c1ccc2C(=O)N(C(=O)c2c1)c3nc(c(C)cc3)-c4ncccc4	8170
+CC(C)Oc1ccc(cc1)-c2cc(Cl)cc(-c3ccccn3)n2	4449
+c1(cnccc1-c2cc(c(nc2-c3cccnc3)N)[N+]([O-])=O)F	8171
+c1(cnccc1-c2cc(c(nc2-c3c(cccc3)F)N)[N+]([O-])=O)F	2432
+FC(F)(F)c1cccc(-n2c(OCC)nc(-c3n(-c4ccc(cc4)C#N)ncc3)c2C)c1	8172
+FC(F)c1cc(c(cc1-c2ccnn2C(C)C)C(OC)=O)N	4450
+FC(F)(C)c1cc(N)c(cc1-c2n(ncc2)C)C(=O)OC	4450
+c1(-c2nc(C)cs2)nccc(c1)C(=O)OC	8173
+c1c(C)ccc(-c2cc(OC)cc(c2)C(=O)OC)n1	4448
+c1cc(ccc1S(=O)(=O)n2cc(-c3nc(Cl)ccn3)c4cc(ccc24)-c5oc(NCc6ccc(cc6)OC)nn5)C	8174
+n1cccnc1-c2ccc(nc2)F	8175
+Cc1nc(N)nc2N(C(C(c3sccn3)=Cc12)=O)CC	8176
+n1cc(-c2sccn2)ccc1F	8177
+n1(cc(-c2cc(C#N)ccn2)nc1)C	4451
+O(CC)P(OCC)(c1c(scc1)-c2c(P(OCC)(OCC)=O)ccs2)=O	3382
+CCCCc1c(C)nc(O)c(N)c1	13
+Cc1c(ccc(O)n1)CCCC	2203
+CCCCc1cc(n2c(ccn2)n1)NC	1005
+CCCCc1c(N)c([nH]n1)C(=O)N	209
+CCCCc1n[nH]c(C(=O)O)c1[N+](=O)[O-]	1733
+CCCCc1n[nH]c(C(=O)N)c1[N+](=O)[O-]	4252
+c1ccccc1-c2csc(Sc3n(c(c(n3)C(=O)N)N)CCCC)n2	8178
+Clc1cc(c(CO)cc1)OCCC	116
+FC(F)(F)C(c1cn(CCC)c2cc(ccc12)Cl)=O	557
+FC(F)(F)c1ccc(cc1)-c2cc(OCc3ccccc3)cc(C(C(OCC)=O)CCC)c2	434
+C1CN(CCC)CC(c2cc(ccc2)OC)=C1	8179
+O=C(C(CCC)c1c(Cl)n2nc3c(c2nc1C)cccc3)OC	2877
+O=C(OCC)C(=NOCCC)C(C)=O	4447
+O=S(=O)(N)c1c(cccc1OCCC)I	116
+CCCn1cnc(C=O)c1	4452
+c1(c(c(c2c(OC(c3cc(c(cc3)N(CCC)C(=O)C)F)=CC2=O)c1F)N)F)C	727
+C(c1c(Br)cccc1F)CC	4453
+C(COc1cc(ccc1[N+]([O-])=O)F)C	116
+C(Oc1cc2c(cccc2)cc1NC(=O)C)CC	116
+C(COc1c(ccc(c1)O)Br)C	116
+C(COc1cc(cc(c1Br)O)C(=O)OCC)C	116
+c1cc(c(C(=O)OC)cc1I)OCCC	116
+c1cc(ccc1-c2c(C)c(nn2-c3c(Cl)cc(Cl)cc3)-c4n(nnn4)CCC)Cl	8180
+c1ccccc1CN2C(C)=CC(OCCC)=C(Cc3ccc(cc3)-c4ccccc4C#N)C2=O	8181
+c1cc(ccc1Br)OCCC	116
+c1cc(ccc1-c2nc(nc(C)c2C(C(=O)OC)CCC)Cl)C	2877
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)OCCC	116
+c1ccccc1NC(NCCCN(CCC)CCc2ccc(cc2)Cl)=O	183
+c1cc(ccc1OCCC)C(=O)C	116
+COc1cc2c(cc1)CCC(NCCC)C2	87
+FC(F)(F)C(CNc1cc(C)cc2n(ncc12)-c3ccccc3)(CNCCC)O	122
+FC(F)(F)C(CNc1cc(C)cc2n(ncc12)-c3ccc(cc3)F)(CNCCC)O	122
+FC(F)(F)c1cccc(c1)S(=O)(=O)N2CCC(CC2)ONC(=O)NCCC	8182
+FC(F)Oc1ccc(Br)c(OCC(NCCC)=O)c1OC	9
+O1C(Oc2cc(cc(c2C1)F)Br)CNCCC	132
+CCCN1C(CO)=CNC1=S	4327
+c1(nc(NCCC)nc(c1)C(NO)=N)C	96
+c1(C=C2c3cc(C(=O)NCCC)sc3NC2=O)ccc[nH]1	227
+CCCNc1c(I)cnc(Cl)n1	40
+[N+](c1c(c(Cl)cc(c1C(=O)NCCC)Cl)OC)(=O)[O-]	513
+c1(Cl)cc(cc(Cl)c1OCCNCCC)Cl	132
+c1(cccc(OC)c1-c2n(CC(C)C)nc(C(=O)NC(CC(NCCC)=O)CC(C)C)c2)OC	9
+n1c2c(c(NC)nc1NCCC)nc(Cl)nc2NC	798
+c1c(ccc(CNCCC)c1F)F	42
+c1cc(ccc1-c2c(C#N)cccc2)CNCCC	370
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(-n4nnc(CCNCCC)c4)c3)ccc1F)F	463
+c1c(cc(C(NCCC)=O)c(N)c1)I	1338
+c1ccccc1COCCCC(=O)NCCC	9
+c1ccccc1N2C(C3=CNC=C(C(NCCC)=O)C3=N2)=O	8183
+c1ccccc1S(=O)(=O)Nc2cccc(Sc3ccc([N+](=O)[O-])c(CNCCC)c3)c2	42
+c1ccccc1S(=O)(=O)Nc2cccc(S(c3ccc([N+](=O)[O-])c(CNCCC)c3)=O)c2	42
+CCCN(CCC)CC(N1c2c(C=3N(c4cc(c(cc14)C)C)C(N(CCCN(C)C)N=3)=O)cccn2)=O	4284
+CCCN(CCC)CC(N1c2ncccc2C(Nc3cc(C)c(cc13)C)=S)=O	8184
+CCCN(CCC)CC(=O)N1c2c(cc(C)c(C)c2)N3C(=O)NN=C3c4c1nccc4	8185
+CCCN(CCC)CCCCC1C(c2ccc(CNCc3ncc[nH]3)cc2C1)OC	8186
+CCCN(CCC)CCCCC1Cc2c(ccc(CN(Cc3nccn3C)Cc4ncc[nH]4)c2)C1OC	566
+c1cc(ccc1CN(Cc2n(ccn2)C)Cc3[nH]ccn3)CN(CCCCN(CCC)CCC)CCC(O)=O	4
+CCCN(CCC)CCCCN1CCc2cc(ccc2C1)CO	98
+CCCN(CCC)CCCCN1CCc2c(ccc(CNCc3n(ccn3)C)c2)C1	42
+CCCN(CCC)CCCCN1CCc2cc(C=O)ccc2C1	39
+C(CC)N(CCC)CCCCN(C=O)Cc1ccc(cc1)CN(Cc2n(C)ccn2)Cc3[nH]ccn3	1003
+C(C)CN(CCC)c1c2n(c(Cl)nc2c(cc1)Br)C	1088
+CCCn1cncc1CO	4329
+C1C=C(CC1)c2ccc([N+]([O-])=O)c(NC(=O)N(C)CCC)c2	2016
+C(N(C)c1nc(Cl)cc(c1)C(=O)OC)CC	43
+FC(F)(F)c1n(C)nc(-c2c(F)cc(c(N(CCC)C)c2)[N+]([O-])=O)c1Cl	34
+c1cc(ccc1C(=O)N2CC(N(C)CCC)CC2)I	1499
+c1(NCCC)nc(ncc1I)Nc2cccc(c2)F	55
+c1cc(ccc1C#N)Nc2ncc(I)c(NCCC)n2	55
+c1c(C)c(c(cc1)C)NC(=O)OCCC	90
+O(C(Nc1cccc(NC(C=C(OC)C)=O)c1)=O)CCC	90
+C(COC(n1c2c(cc1-c3cnn(C)c3)cnc(Br)c2)=O)C	1825
+CCCOc1ccnc(O)c1C	8187
+N(=[N+]=[N-])Cc1ncc(OCCC)c(O)c1	4454
+c12c(C(C(=O)N=C1O)=CNCc3cc(c(OCCC)cn3)O)cc(cc2)Br	8188
+CCCOc1c(O)cc(CCl)nc1	512
+CCCOc1ccnc(S)c1C	4455
+c1cc(ccc1)Cn2c(cc(OCCC)n2)C(OC)=O	309
+C(O)(c1ccc(cc1F)Br)CCC	8189
+c1cc(ccc1OC)CN2CCCC(C(=O)CCC)C2	4456
+c1ccccc1COc2c(OC)ccc(c2)C=C(CC)[N+]([O-])=O	1734
+C(c1ccnc(c1N)C(=O)OCC)CC	1735
+CCCc1nccc(C=O)c1OCOC	4457
+N(c1cc(Cl)c(F)cc1)=Cc2ccnc(c2O)CCC	457
+CCCC1CCCNC1	8190
+CCCc1ccnc(c1)C(=O)N	1200
+CCCc1c(c(ccn1)C=O)O	2942
+O=S(=O)(Cl)c1cc(-c2nc(c3c(nn(c3n2)CCC)C)O)c(OCCC)cc1	240
+CCCn1cnc(CO)c1	1125
+Clc1cc(N)c(cc1)SCc2ncn(c2)CCC	8191
+CCCn1cnc(CCl)c1	1736
+C(C)OC(c1c2c(ccn2CC)c(Cl)nc1)=O	557
+c1(OCC)c(cc(cc1F)Br)OCC	4458
+c1cc(C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O)cc(c1OCC)OCC	4458
+c1(C(=O)OCC)c(C)cc(cc1OC)Br	1735
+c1c(c(OC)c(OCOC)c(c1)Br)OCC	116
+c1(c2c(ccc(OC)c2)c(Cl)nc1)OCC	788
+Cc1n(C2=CC(=O)N(CC)C=C2)c(nc1C#Cc3cccc(Cl)c3)C	3477
+Cc1n(C2CCCCO2)nc-3c1C(N(c4ccc(cc-34)I)CC)=O	8192
+c1(OCC)cc(C)c(Br)c(C)n1	3761
+c1(NC(C)=O)c(c(CC)c(Cl)cc1)F	4453
+FC(F)(F)C(c1ccc(c2nc3N(CCCn3c12)c4c(Cl)cc(Cl)cc4)Cl)OCC	481
+FC(F)(F)C(c1c2c(n(c1C)CC)cc(cc2)OC)=O	557
+FC(F)(F)c1cc(ccc1C#N)N(CC)C2CC(CCC2)N	2457
+FC(F)(F)c1cc(C=2C(C(=CN(CC)C=2C)C(NCc3ccc(cc3)S(=O)(=O)C)=O)=O)ccc1	8193
+FC(F)(F)c1cc(ccc1)N2N=C(c3ccnn3-c4ccccc4)C(C(OCC)=C2)=O	8194
+FC(F)(F)c1cc(ccc1)Nc2c3ncn(CC)c3nc(Cl)n2	8195
+FC(F)(F)c1cc(-c2nc(C#N)c3ncn(CC)c3c2)ccc1	1519
+FS(F)(F)(F)(F)c1ccc2c(c(cn2CC)CN3CCN4C(=CC=C(n5cc(nc5)C)C4=O)C3=O)c1	557
+CCN1C(CCNc2c1cccc2)=O	727
+Nc1c(c(cc(c1)C(=O)OC)OCC)I	116
+O(C)c1ncc(OCC)c(I)c1	788
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(OCC)cc3)C1=O)N(c4ccc5nc(oc5c4)C)C	116
+O=S(=O)(C)c1ccc(cn1)Oc2cc3cc([nH]c3c(OCC)c2)C(OC)=O	788
+O=S(=O)(CC)c1cc(F)c(cc1)Br	2456
+O=S(=O)(c1c(cc2c(c1)C(CNC(N3CC(=C(CC)C3=O)C)=O)CCO2)OCC)N	116
+CC1(C)CN(c2cc(c(cc12)Br)S(=O)(=O)CC)C(C)=O	2456
+C1CN(CCN1CC)c2n(ccn2)S(=O)(=O)N(C)C	183
+c1c(OC)ccc2c(C#N)cn(CC)c12	557
+c1(C)nc(OC)ccc1N2CCCn3c2nc4c(Cl)ccc(C(CC)OCC)c34	481
+c1(F)cc(cc(F)c1)OCC	116
+Fc1c(OCC)cccc1	116
+c1(I)c(F)cc(OC)c(OCC)c1	116
+C1C(CCCN1CC)CCn2c(OC)nc3c2nc(nc3N)OC(CCC)C	183
+c1([N+]([O-])=O)cc(OCC)ccc1C	116
+c1(cccc(OCC)c1Br)C(=O)C	116
+O=C(O)C(CC)c1ccccc1I	434
+O=Cc1cc2c(OC(C)C(=O)N2)c(c1)OCC	116
+c12c(ccc([N+]([O-])=O)c1)n(CC)nc2OC	2437
+c1([N+]([O-])=O)cc(OCC)c(I)cc1	116
+c1(C=O)cc(c(F)cc1)OCC	116
+c1(cc(cc(C)c1-n2c(c(Cc3c4c(ccc3OCC)cccc4)c(CC)n2)CC)Br)C	116
+c1(cc(N(CC)C(C)=O)ccc1)-c2nnc(cc2)Cl	727
+c1(C=O)cc(OCC)c(cc1)[N+]([O-])=O	116
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(COCC)cc(Br)c2	481
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(OCC)cc(c2)Br	116
+c1(c2[nH]ccc2ccc1)OCC	788
+CCn1c2ccccc2c(c1)C(OC)=O	557
+O(CC)c1ccc(C(=O)C)c(c1)O	116
+C(C)OC(c1cccc(F)c1C)=O	1735
+c1c(Br)c(Cl)ccc1C(=O)OCC	1735
+c1c(C)c(c(cc1)C)COc2cc(ccc2)C(CC)C(OCC)=O	434
+c1c(C)c(c(cc1C(OCC)CC)C)-n2nc(c(Cc3c4c(ccc3OCC)cccc4)c2CC)CC	481
+c1c(F)c(N)cc(OCC)c1Br	116
+c1c(O)cc(OCC)cc1CO	116
+c1c([N+]([O-])=O)cc(OCC)cc1C(=O)OC	116
+[O-][N+](c1cc(cc([N+]([O-])=O)c1)N(C(C)=O)CC)=O	727
+c1c-2c(C(CC)c3c(cccc-23)C)c(C)cc1C	8196
+c1c(cc(OCC)c(Cl)c1)Br	116
+C(C)N(CC)CC(N1c2c(Sc3c1cc(cc3)C#N)cccc2)C	183
+c12c(cccc1Br)ccn2CC	557
+C(OC1COCC1Oc2c(OC)ccc(C#N)c2)C	481
+c12ccc(OCC)cc1cc(cc2)OC(CC)C(=O)OC	116
+c1cc(ccc1)-c2cn(c3ccc(cc23)[N+](=O)[O-])CC	557
+c1cc(ccc1)COC(N2CC(OCC)C(Nc3c(ncc(CC)n3)CC)C2)=O	481
+c1cc(ccc1)COC(=O)N2CCC(CC2)CCCCC(=O)OCC	939
+c1cc(ccc1)N(CCOC)C(=O)C2=C3N(C=Cc4cc(sc34)CC)C(C(c5ccc(cc5)OCc6ccccc6)=C2)=O	8197
+c1cc(ccc1)OC(N2CCC34C(C2Cc5ccc(OCC)cc35)CCOC4)=O	116
+c1cc(ccc1-c2n(CC)c(cc2)C#N)NS(=O)(=O)CC	4459
+c1cc(ccc1Cl)-c2n(CC)ccc2C	4459
+c1cc(ccc1-c2c(Br)cn(CC)n2)[N+](=O)[O-]	1717
+c1cc(ccc1Cn2c3c(cccc3nc2SCC)C(=O)OCC)-c4ccccc4-c5[nH]nnn5	8198
+c1cc(ccc1Br)-c2nn(CC)cc2	1717
+c1cc(ccc1-c2noc(C)n2)N=C(C(SC)=NC(OC)=O)c3ccc(OCC)c(OC)c3	116
+c1cc(ccc1Cl)Nc2nc(Cl)nc3n(cnc23)CC	8199
+c1cc(ccc1F)Cc2cc3N(CC)C(C(=C(c3nc2)O)C(=O)OCC)=O	8200
+c1cc(ccc1SCC)O	4460
+O=S(=O)(c1ccc(cc1)C)N(CC)c2ccc(cc2[N+](=O)[O-])F	8201
+c1cc(ccc1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC)[N+]([O-])=O	183
+c1cc(ccn1)-c2sc(c(c2)NCC)C(OC)=O	8202
+c1cn(c2cccc([N+]([O-])=O)c12)CC	557
+c1ccccc1CN(Cc2ccccc2)c3c(F)c(-c4nn(cc4-c5ccncc5)CC)c(F)cc3	1717
+c1ccccc1COC(N(C)Cc2cc3ccccc3n2CC)=O	557
+c1ccccc1COC2=C(C(OCC)C)OC(C)=CC2=O	8203
+c1ccccc1COCCCOc2ccc3c(OC(C(=O)OCC)(CC)CC3)c2	8204
+c1ccccc1COc2cccc3c2nc(cc3C(OCC)=O)C	1735
+c1ccccc1COc2ccc(cc2)N3C(N(c4cccnc34)CC)=O	8205
+c1cc(ccc1)Cn2cnc3N(C(=O)N(C(c23)=O)CC)CCCC	8206
+c1c2n(CC)cc(c2ccc1OCC)C#N	116
+CCN1C(=O)C(=C(N=C1C)N2CCc3c(CC2)sc(N)n3)[N+]([O-])=O	8207
+n1cc(Br)cc(OCC)c1	788
+CCOc1cccnc1O	788
+C(CNCC)C(OCC)=O	1340
+CN(C)c1ccc(cc1)CNCC	42
+C[Si](C)(C)CCOCn1cc(C(=O)NC(CC(NCC)=O)C)c2c1ncc(C3CC3)n2	9
+COc1c(F)c(c(c(OC)c1)F)N(Cc2cnc(Cl)cc2Cl)C(NCC)=O	3638
+c1cc(ccc1F)-c2c3c(ncnc3sc2)OCCCOc4cc(ccc4)NC(=O)NCC	675
+Clc1cc(C(NCC)=O)c(Cl)cc1	93
+Clc1cc(c(cc1)C(=O)O)NCC	205
+CCNc1ccncc1[N+](=O)[O-]	105
+FC(F)(F)C(c1cn(nn1)Cc2cc3cc(C(=O)NCC)c(n3cc2)-c4ccc(cc4)F)(O)CC	56
+FC(F)(F)C(CNc1cc(C)cc2n(ncc12)-c3ccccc3)(O)CNCC	122
+FC(F)(F)c1cc(c(cc1)-c2c(OC)ccc(CC(OCC)=O)c2)CNCC	42
+FC(F)(F)c1cc(c(-c2cc(CC(=O)OC)ccc2OC)cc1)CNCC	42
+FC(F)(F)c1cc(c(-c2c(ccc(CC#N)c2)OC)cc1)CNCC	42
+FC(F)(F)c1ccc(c(CNCC)c1)-c2c(ncc(Br)c2)OC	42
+FC(F)(F)c1c(NC(=O)c2c(nccc2)NCC)c(Cl)nc(C)c1	70
+FC(F)(F)c1cc2c(nc3c(C(N(C3)CC)=O)c2Cl)cc1	2943
+FC(F)(F)c1cc(CNCC)c(cc1)Oc2cccc(CC(=O)OC)c2	42
+FC(F)(F)c1ccc2c(nc(-c3c(SCC)cc(cc3)Cl)nc2NCC)c1	40
+FC(F)(F)c1nc(Cl)c(c(NCC)n1)[N+]([O-])=O	40
+C1CC(CCN1Cc2ccccc2)(C#N)NCC	8208
+CCNc1c(C#N)c(O)nc(C)c1	105
+N#Cc1ccccc1Nc2nn3c(n2)cnc(-c4cccc(C(NCC)=O)c4)c3	14
+N(c1c(C)cccc1Cl)CCCNCC	1130
+c1(c(N)c(C(NCC)=O)ccc1)F	1338
+C1COC2(CCC(CC2)NCC)O1	87
+n1cc(c(c(Br)c1)C)CNCC	249
+c1(c(-c2c(CNCC)cc(-c3ccc(nc3)OCC)cc2)cc(cc1)CC(=O)OCC)OC	42
+O=S(=O)(C)c1cccc(c1)-c2ccc(-c3cc(nn3-c4c(cccc4)Cl)CC(NCC)=O)s2	248
+O=S(=O)(NCC)c1c(c([N+](=O)[O-])ccc1Cl)Cl	71
+O=S(=O)(c1ccc(F)c(c1)C(=O)O)NCC	71
+O=S(=O)(NCC)c1c(cccc1)[N+]([O-])=O	71
+O=S(=O)(Nc1ccc2COB(c2c1)O)c3ccc(cc3CC(=O)NCC)OC	9
+O=S(=O)(c1c(cc(c(C(O)=O)c1)F)F)NCC	3442
+c1c2c(N(C(CNCC)C)c3c(cccc3)S2)cc(C#N)c1	285
+c1ccccc1COC(NCCCCNCC)=O	285
+O=S(=O)(c1cccc(-c2nc(nc(NCCc3ccc(cc3)OC)c2)OC)c1)NCC	71
+O=S(=O)(C)c1ccc(c(c1)CNCC)O	42
+c1cc(ccc1S(=O)(=O)Nc2cc(nc(NCC)c2)NC)N	340
+c12nc(n(C3C(O)C(C(CO)O3)O)c1nc(I)nc2N)NCC	8209
+C(NCCCSc1ncco1)(NCC)=C[N+]([O-])=O	2063
+c1c(c(ccc1)[N+]([O-])=O)NCC	60
+c1(-c2csc(n2)-c3cnccc3C)cc(ccc1)C(NCC)=O	14
+c1(Cl)c(Cl)ncc(C(NCC)=O)c1	56
+c1(C)c(C(=O)NCC)ncc(c1)[N+](=O)[O-]	780
+c1(Cl)ncc(CNCC)s1	4461
+CCNc1ncccc1[N+](=O)[O-]	70
+c1(OC)cc(C(=O)O)cc(C2=Cc3c(cc(nc3)NCC)N(C2=O)CC)c1	70
+c1(NCC)c(cnc(Cl)c1Br)[N+](=O)[O-]	105
+c1(c(Br)cccc1C(NCC)=O)N	14
+c1([N+]([O-])=O)cc(-c2nccc(OC)c2)ccc1NCC	60
+c1([N+]([O-])=O)cc(C(=O)O)ccc1NCC	60
+c1ccc(c(c1)Cl)C(=O)NCC	93
+c1(c2cc([N+]([O-])=O)ccc2[nH]c1)C=3CCC(CC=3)NCC	4462
+c1(F)cc(cc(F)c1)-c2c(cc(Cl)c(C)c2C(=O)NCC)C(O)C	14
+c1(ccc(C(NCC)=O)cc1O)[N+]([O-])=O	14
+Clc1c2c(nc3CN(C(=O)c13)CC)cccc2	2943
+c12c(cc(C)c(Cl)c1)OC(C3=C2CCN(CC(C)NCC)C3)=O	87
+c1(c([N+]([O-])=O)cc2c(ncnc2c1)O)NCC	8210
+c12c(nc3ccc(cc3c1Cl)C#N)CN(C2=O)CC	2943
+c1c(C)nc(CNCC)cc1	294
+c1c(F)c(c(cc1)F)Cc2c(N(CC(=O)NCC)S(=O)(=O)c3cc(OC)c(OC)cc3)c(OC)ccc2	9
+c1c(cc(c(I)c1)CNCC)Br	42
+c1cc2-c3c(CCOc2cc1C(NCC)=O)cc(C(N(c4c(Cl)cccc4)C)=O)s3	513
+c1(ccc(Cl)nc1NCC)C(=O)O	70
+c1cc(c(cc1I)NCC)C(=O)O	60
+c1cc(cc(-c2ccc([N+]([O-])=O)cc2CNCC)c1OC)CC(OCC)=O	42
+c1cc(cc(-c2ccc(-c3cnn(C)c3)cc2CNCC)c1OC)CC(OCC)=O	42
+c1cc(cc(-c2ccc(cc2CNCC)F)c1OC)CC(OCC)=O	42
+c1ccccc1-c2cccc(C(NCC)=O)c2	513
+c1cc(ccc1)-c2nc(-c3c(ccc(CCCN)c3)Cl)nc(OC)n2	8211
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5cc(Cl)ncc5c(NCC)n4	8212
+c1ccccc1COc2c(C(C)C)cc(-c3onc(c3)C(NCC)=O)c(OCc4ccccc4)c2	780
+c1cc(ccc1)Nc2c(C(=O)NCC)cnc(NC(NCC)=O)c2	56
+c1cc(ccc1C(NCC)=O)F	93
+c1cc(ccc1C(C)C(NCC)=O)I	9
+c1cc(ccc1C#CCc2ccc3C(C)(C)CCC(C)(C)c3c2)C(=O)NCC	93
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(-n4nnc(CCNCC)c4)c3)ccc1F)F	463
+c1cc(ccc1)C(C)(C)C(NCC)C(=O)O	4024
+c1cc(ccc1)C2(C=CCC=C2)CC(C)NCC	87
+c1ccccc1COc2c(C(=O)NC(C(O)C)C(=O)NCC)ccc([N+]([O-])=O)c2	9
+c1nc(ccc1C#N)NCC	340
+c1nc(ncc1C(NCC)=O)N2CC(Oc3ccccc3OCC)CCC2	484
+n1c(c(ccc1OC)N(C(=O)c2cccnc2NCC)C)Br	70
+CCNc1c(cccn1)-c2cscc2Br	182
+C(Nc1c(c(ncn1)N)C#N)c2c(cc3c(F)cccc3n2)CN(C)CC	40
+CCN(CC)CCCc1c(ccc(N)c1)Cl	15
+Oc1nc(-c2cc(c(OC)cc2)F)cc3cc(ccc13)OC	8213
+CCN(CC)C(=O)CCc1c(ccc(c1)N)Cl	1320
+C(C)N(CC)C(=O)CN(c1ccc(cc1)C)S(=O)(=O)c2ccc(cc2OC)C	8214
+CCN(CC)c1nsc(N)c1C#N	8215
+CCN(CC)C(NC1CN(C2CC3CNc4cc([N+](=O)[O-])cc(C2C1)c34)C)=O	3592
+CCN(CC)C(NC1CN(C2C(c3cc([N+](=O)[O-])cc4n(cc(C2)c34)C(=O)C)C1)C)=O	2917
+CCN(CC)C(NC1CC2c3c4c([nH]cc4CC2N(C)C1)cc([N+](=O)[O-])c3)=O	8216
+CCN(CC)C(=O)Nc1c(-c2[nH]c3c(cc(NCCN(C)C)c(F)c3)n2)[nH]nc1	747
+C(C)N(CC)C(c1c([nH]c2ccccc12)C(=O)NN)=O	2944
+CN(C)CCc1nc(c2c(occ2)c1)O	8217
+CCN(CC)C(=O)c1cc(NC(Cc2ccc(cc2)OCC)=O)c(nc1)N	8218
+C[Si](C)(C)C#Cc1cc(-c2n[nH]c(c2C)C(=O)N3CC(N(CC)CC)CC3)ccc1	263
+CCN(CC)C1CN(C(=O)c2c(c([nH]n2)-c3cc(C#Cc4ccc(F)c(c4)Cl)ccc3)C)CC1	129
+c1cc(ccc1C#Cc2cccc(-c3c(C)c(C(N4CC(N(CC)CC)CC4)=O)n[nH]3)c2)Cl	129
+CCN(CC)C1CCN(C(c2c(C)c([nH]n2)-c3cc(ccc3)Br)=O)C1	147
+CCN(CC)CCOc1c(Cl)cc(Cl)c(c1)-c2c3c(sc(C#N)c3)nc(N)n2	8
+c1cc(ccc1CNCCN(CC)CC)Cl	132
+C(C)N(CC)CCCC(Nc1ccn2c(c(-c3cccc(Cl)c3)cn2)n1)C	2673
+c1cc(ccc1)-c2cc(NC(C)CCCN(CC)CC)c3c(cccc3)n2	105
+CCN(CC)CCCC(C)Nc1nc2n(ncc2Br)cc1	2447
+c1ccccc1-c2cc3c(C(C(=O)N3)=Cc4[nH]c(c(C(=O)NCCCN(CC)CC)c4C)C)cc2	292
+CCN(CC)CCCNC(=O)c1c(c(C=C2C(=O)Nc3ccc(cc23)Br)[nH]c1C)C	292
+C(C)N(CC)CCCOc1ccc(cc1)[N+]([O-])=O	57
+CCN(CC)CCCc1c(Cl)ccc(NS(=O)(=O)c2ccc(cc2)Oc3c(C#N)c(Cl)ccc3)c1	69
+O=S(=O)(c1ccc(F)cc1CCCN(CC)CC)Nc2ccc3c(ncc4occc34)c2C(=O)O	1
+c1cc(ccc1F)-c2c3C(=Cc4c(c(c[nH]4)C(=O)NCCN(CC)CC)C)C(=O)Nc3ccc2	292
+O=S(=O)(C)c1cc(C2=NC(c3ccc(Cl)cc3S2)=O)nc(c1)CCC(OCCN(CC)CC)=O	27
+CCN(CC)CCOc1c(Cl)cc(c(-c2c3c(nc(n2)N)sc(-c4[nH]nnn4)c3)c1)Cl	8219
+CCN(CC)CCOc1c(Cl)cc(c(c1)-c2c3c(sc(c3)CO)nc(n2)N)Cl	2842
+CCN(CC)CCOc1ccc(cc1)C(N)CCC	474
+CCN(CC)CCOc1ccc(cc1)C(NC(=O)CC#N)CCC	9
+CCN(CC)CCOc1ccc(cc1)C(NC(C(C#N)=Cc2nc(Br)ccc2)=O)CCC	4463
+O(C)c1c(F)c(c(F)c(OC)c1)-c2c3c(nccn3)c(C(=O)Nc4[nH]c(CN(CC)CC)cn4)cc2	8220
+C(C)N(CC)Cc1sc(-c2nc(-c3c(cc(O)cc3)OC)no2)cc1C	4464
+C(C)N(CC)Cc1sc(cc1C)-c2nc(no2)-c3cc(c(c(c3)C)N)Cl	4464
+c1cc(ccc1S(=O)(=O)NCCO)-c2nc(-c3sc(CN(CC)CC)c(C)c3)on2	8221
+O=S(=O)(C=1C=CC=2N(C=1C)C(=O)NN=2)N(CC)CC	8222
+C1CCCN1c2cc(nc(n2)N(CC)CC)NCCNC3=C(C(C3=O)=O)Nc4ccc(cc4)Cl	3626
+C(C)N(c1cc(NC(C)=O)c(N=Nc2ccc([N+]([O-])=O)cc2OC)cc1)CCO	725
+COc1nc(N(Cc2sc(Cl)nc2)CC)c(Cl)cc1	91
+CCN(c1c([N+]([O-])=O)cc(F)c(Cl)c1)C(C)=O	77
+CCN1C(C(Br)=Cc2cnc(S(C)=O)nc12)=O	172
+O=S(=O)(c1ccc(C=2C(=O)N(CC)c3nc(SC)ncc3C=2)c(c1)C)N(C)C	1597
+N1c2c(N(CC)CCC1)cccc2	15
+O=S(=O)(c1c(CNC(C2CCN(CC)C2)=O)cc(cc1)F)Nc3ccc4c(c3C(=O)OC)OCC5CC45	9
+N1(CCCC1CNC(=O)c2c(OC)c(Br)cc(c2OC)Cl)CC	14
+c1cc(ccc1C(=O)NCC2CCCN2CC)Cn3c4ccccc4nc3Cc5c(cccc5Cl)Cl	14
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCCN5CCN(C(=O)C5)CC)CC2	8223
+O=S(=O)(c1cc2c(OCCC2CNC(N3CC(=C(CC)C3=O)C)=O)cc1OCC)NC(=S)NCC	8224
+c1cc(ccc1SC(CC)C)OCCOC(=S)NCC	8225
+COc1nnc(-n2nc(cc2-c3ccc(cn3)C#N)C(=O)N(C)CC)cc1	147
+c1cc(CN(CCCn2c3c4c(cccc4)nc(N)c3nc2CCCC)CCCN(CC)C)cc(CC(OC)=O)c1	53
+c1c2c(ccc1)C(=O)N(C2=O)Cc3nc4cccc(c4cc3CN(C)CC)F	565
+c1cc(ccc1)Nc2c(C(=O)OCC)cnc(NC(=O)NCC)c2	2077
+c1sc(nc1-c2cnn(C)c2)-c3c(cnc(NC(NCC)=O)c3)Br	8226
+c1c(OC)cc(cc1-c2c(sc(NCC)n2)-c3nc(ncc3)Cl)OC	4465
+CCNC1CCc2ncsc2C1	2190
+c1ccccc1-c2cc3c(nc(-c4ccccc4)cn3)c(c2O)C(=O)NCC(OCC)=O	2485
+c1cc(ccc1)-c2c(nc3ccc(c(C(NCC(=O)OCC)=O)c3n2)O)NCc4ccccc4	2485
+CCN(N)C(Nc1sc(C)nn1)=O	2551
+Clc1cc(ccc1)NC(=O)N2Cc3c(CC2)[nH]nc3C(N(OC)CC)=O	1006
+c12n(cnc1c(Cl)ncc2)CC	919
+CCNc1c(N)c(Cl)ncc1	13
+CCNc1ccnc(Cl)c1[N+](=O)[O-]	4466
+CCNc1c(N)cccn1	13
+C(Cc1c2ccc(cc2oc1)OC)(OCC)=O	8227
+c1(c2CC(c3c(Sc2ccc1)ccc(OC)c3)=O)C(=O)O	329
+C(C)OC(c1c(ccc(OC)c1)Br)=O	47
+C(Cc1c([N+]([O-])=O)cccc1OC)(OCC)=O	2061
+Cc1c(COc2nnc(cc2)C(=O)OCC)c(no1)-c3cc(F)ccc3	2945
+c1(C(=O)C)c(ccc(C)c1)OCC	126
+C(C)OC(c1c[nH]c(C(=O)C)c1)=O	4467
+Clc1cc(Cl)c(cc1)C2C(c3ccccc3C(=O)N2C4CCCCC4N)C(=O)OCC	456
+Clc1cc(ccc1)Nc2nc(-c3cc(ncc3)C(=O)O)ncn2	1696
+Clc1ccc2SCCC(C(OCC)=O)c2c1	27
+Clc1cccc(-c2cccc3NC(=O)Cc23)c1	1052
+Clc1cn(nc1)-c2ccc(C(C)C(OCC)=O)cc2Cl	27
+n1c(cccc1OCC)N	91
+CCOC(=O)c1ccnc(Cl)n1	226
+C1CCCCC1Cn2c3c(cccc3Cl)c(C(O)=O)c2	4468
+FC(F)(F)C(C)CCC(O)=O	270
+FC(F)(F)C(F)(F)c1ccc(cc1)C(=O)O	329
+FC(F)(F)C1Oc2c(COCC)cc(C)cc2C=C1C(=O)OCC	8228
+FC(F)(F)CC(C)(C)CC(=O)O	270
+FC(F)(F)Cn1c2c(c(C(O)=O)c1)c(ccc2)Cl	4468
+FC(F)(F)Oc1cccc(c1)C(=O)OCC	47
+FC(F)(F)Oc1cc(cc(Cl)c1)CC(OCC)=O	27
+FC(F)(F)Oc1ccc(cc1)-c2cc(CC(O)=O)n(n2)C	270
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C3CCCCC3)n2)Cc4ccc(cc4)C(=O)O	329
+FC(F)(F)c1cccnc1OCC	91
+FC(F)(F)c1ccc(cc1[N+](=O)[O-])C(OCC)=O	47
+FC(F)(F)c1cc(-n2c(C)ccc2C)c(nc1OCC)C(OC)=O	2055
+FC(F)(F)c1cc(C(=O)O)cnc1N2CCOCC2	2160
+FC(F)(F)c1cc(C(C(OCC)=O)CC(C)C)ccc1[N+]([O-])=O	27
+FC(F)(F)c1cc([N+](=O)[O-])c(Cl)c(C(=O)OCC)c1	279
+FC(F)(F)c1cnc2sc(-c3ccncc3OCC)nc2c1	870
+FC(F)(F)c1ccc(cc1)-c2nn(C)c(CC(O)=O)c2	270
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)CC(O)=O	8229
+FC(F)(F)c1ccc(cc1)CNC(c2c(ccc(CC(O)=O)c2)OC)=O	4308
+FC(F)(F)c1cc(ccc1)N2C(C(C(OCC)=O)CC2)=O	8230
+FC(F)(F)c1cccc(c1)Nc2nc(-c3ccnc(C(=O)O)c3)ccn2	1696
+FC(F)(F)c1c(Br)c(ncn1)OCC	145
+FC(F)Oc1c(ccc(c1)CC(OCC)=O)Cl	27
+FC(F)Oc1ccc(CC(OCC)=O)cc1OC	27
+Fc1cc(c(F)cc1C)C(OCC)=O	47
+O=C(OCC)Cc1ccccc1F	27
+CCOC(c1cc(I)c(O)nc1)=O	342
+CCOc1c(C#N)cc(c(C)n1)[N+](=O)[O-]	91
+N1(C(=O)C)c2cc(C)cc(C)c2C(CCC(OCC)=O)C1	456
+CCOC(c1cccnc1N)=O	342
+c1(cc(Cl)c(N)cc1OC)C(=O)OCC	47
+C(Cc1ccc(N)cc1F)(OCC)=O	456
+C(C)OC(c1c(ccc(N)c1)O)=O	47
+Nc1cc(OC)c(cc1F)C(=O)O	329
+C(C)OC(=O)c1ccc(N)c([N+]([O-])=O)c1	1533
+Nc1cccc(c1C(=O)OC)F	8231
+CCOC(=O)c1c(N)cccn1	226
+O=C(O)C1CC=C(CC1)c2ccc(c3OCCOc23)OC	270
+S1c2cc(ccc2C=Cc3c1ccc(F)c3)C(=O)O	329
+c1(-c2cn(Cc3ccccc3Cl)cn2)nccc(C(=O)O)c1	329
+c1cc(cc(Oc2c(CC(O)=O)cccc2)c1)F	270
+c1(c2ccc(cc2c(nn1)Cc3ccc(c(c3)C(=O)O)F)Br)O	329
+c1(c2cccc(Cl)c2c(nn1)Cc3ccc(c(c3)C(=O)O)F)O	329
+C(c1ccnc(N2NC=C(c3cnccc3)C2=O)c1)(=O)O	329
+C(c1cc2c(cc1)c[nH]n2)(=O)O	329
+c1c(Cl)c(Oc2c(cccc2)C(=O)O)ccc1Cl	329
+c1(F)cc(cc(F)c1)Oc2cc(cc(c2)C(=O)O)OC(COC)C	329
+c1c(c(Nc2cc(C(=O)O)ccc2[N+]([O-])=O)ccc1F)F	329
+c1c(ccc(c1Cl)Cl)CCCC(=O)O	270
+C(c1ccc(Cl)c(c1)C(=O)O)C(=O)O	270
+c1cc(ccc1)-c2c3c(no2)cc(cc3)CC(=O)O	270
+c1ccccc1C(c2ccccc2)N3CC(C3)(C(O)=O)NCc4ccccc4	270
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)C(c4cc(F)cc(c4)C(=O)O)C(C)(C)F	329
+c1cc(ccc1)COc2c(ccc(CC(O)=O)c2)Cc3ccc(cc3)CC	270
+c1cc(ccc1Sc2c(nc(N)nc2C)NCCCC)CC(O)=O	270
+c1cc(ccc1CN(C)CCc2cnn(-c3nccc(C(=O)O)c3)c2)F	329
+c1cc(ccc1Cl)Cn2c3c(nc(C(=O)O)nc3nc2-c4c(ccc(C)c4)OCCC=C)NC(C)C5CC5	8232
+c1cc(ccc1)-c2c(c(C(O)=O)ccc2)F	329
+c1ccccc1-c2ccnn2-c3cc(ccn3)C(O)=O	329
+c1cc(ccc1)C(CC(O)=O)Cc2cccc(OC)c2OC	270
+c1ccccc1C(c2cc(ccc2)OC)CCC(O)=O	270
+c1ccccc1CCOc2ccc(cc2CCCC(=O)O)Cl	270
+c1ccccc1COc2ccc3c(cc(cc3)C(=O)O)c2	329
+c1ccccc1Nc2cnc(cc2)C(O)=O	1696
+c1nc2Nc3cc(ccc3Sc2nc1)CC(O)=O	270
+C(c1nc(C)ccc1Cl)(=O)O	1696
+Clc1cc(F)c(cc1)C(CC(OCC)=O)=O	4469
+O1c2c(ccc(C=3CCC(C(OCC)=O)CC=3)c2OCC1)OC	456
+c1(ccc(cc1Cl)NCC(=O)OCC)Cl	27
+CCOC(c1cc(c(F)c(F)c1F)F)=O	47
+O=C1CC(CC(=C1)OCC)c2ccccc2O	8233
+c1[nH]c2c(c1CCC(OCC)=O)cc([N+]([O-])=O)cc2	2198
+O=Cc1ccccc1OCC(=O)OCC	27
+c1(C)c(ncc(c1)[N+](=O)[O-])C(OCC)=O	4470
+c1(C)cc(ncc1[N+](=O)[O-])C(OCC)=O	4470
+c1cc(ccc1)C(C(=O)OCC)CC=C	1838
+c1ccccc1CCCN(Cc2cccc(c2)-c3cnc(C(=O)OCC)cc3)C	8234
+C(OCc1ccc(nc1)C#N)C	8235
+Cn1ncc2CCc3c(c(sc3C(=O)OCC)OCC)-c12	8236
+O=S(=O)(c1sc2ccc(cc2c1)CS(=O)CCN(C)C)N	8237
+c1(C(C(OCC)=O)C)ncccc1Cl	4471
+c1cc(ccc1)-c2c(c(on2)C)COc3ccc(nn3)C(=O)OCC	2945
+Oc1c(CNC(C(=O)OCC)CO)cccc1	27
+c1c(O)c(c(cc1C(=O)OCC)O)Br	47
+c1(OCC)cc(C)[n+]([O-])c(Br)c1	1210
+CCOC(=O)c1n[nH]cc1[N+](=O)[O-]	226
+C(C)OC(=O)c1cc(nc(Cl)c1)N	47
+c1(CCC)c(O)c(cc2c(NCC)cc(nc12)C(=O)OCC)C(=O)C	226
+O(c1c(c(C)c(Cl)nn1)C)CC	485
+n1c2c(cc(c(F)c2)F)c(O)c3c(C)nn(-c4ncccc4)c13	8238
+c1([N+]([O-])=O)cc(c(Cl)cc1F)CC(OCC)=O	27
+Clc1ccc(Nc2c3cc([N+]([O-])=O)c(OCC)cc3ncn2)c(F)c1Cl	724
+c1c(c(cc(c1)Nc2c3cc([N+]([O-])=O)c(OCC)cc3ncn2)Cl)OCc4cccc(F)c4	724
+c1ccc(cc1C#C)Nc2c3cc([N+]([O-])=O)c(OCC)cc3ncn2	724
+C(Cc1c(Cl)ccc([N+]([O-])=O)c1)(OCC)=O	27
+CCOC(c1[nH]nc(c1)[N+](=O)[O-])=O	226
+C(C)c1c(cccc1)CC(=O)O	4472
+c1(c(F)c(-c2cccc3NC(=O)Cc23)ccc1)F	1052
+c1(c2c([nH]c3c(nc(Cl)nc23)OCC)cc(c1)Br)OC	3717
+c1c2c(ccc1O)c(ccc2)C(=O)OCC	47
+C(C)OC(c1cc(c(N)cc1[N+]([O-])=O)O)=O	47
+c1(cc(cc(C)c1[N+](=O)[O-])COCC)C	149
+c1(cc(ccc1)O)C(NC)CC(OCC)=O	456
+c1cccc(c1OCCC)-c2nc(cc(n2)O)C(=O)OCC	226
+c1(cc2c(cc1O)OCCC2C(OCC)=O)Cl	27
+CCOC(c1cc[nH]c1)=O	342
+c1(ccc(c(c1F)F)C(OCC)=O)F	47
+C(C)OC(=O)c1ccc([N+]([O-])=O)cc1F	47
+c12c(nc(nc1OCC)N)nc[nH]2	3722
+c12c(c(ccc1C(=O)OCC)N)OCCO2	47
+c12[nH]cnc1ccc(c2)C(=O)OCC	47
+c12nc(nc(c1c(n[nH]2)SC)OCC)Cl	2557
+c12c(ccc(OCC)c1)CCC2CCNC(C)=O	126
+c12c3c(ccc1cccn2)c(cc(C)n3)OCC	260
+c1c2c(cccc2)cnc1OCC	91
+C1(Nc2cccc(-c3ccccc3F)c2C1)=O	1052
+c1c(Br)c(CC(OCC)=O)cc(O)c1F	27
+C(C)OC(c1cccc(O)c1C)=O	47
+CCOC(c1c(cccc1)Oc2cc(ccc2)F)=O	47
+c1c(Br)c(F)ccc1C(=O)OCC	47
+n1c2c(ncc1)cc(C)c(Br)c2	8239
+c1c(C)nc(cc1)-c2[n+]([O-])c(C)cc(OCC)c2	1210
+c1c(cc(C)c(c1)C(=O)OCC)Br	47
+C(=O)(Cc1ccc(c(c1)OC)Oc2c([N+](=O)[O-])c3c(nccc3)cc2)OCC	456
+c1c(cc2c(c1)nc(NC)nc2OCC)Br	145
+c1c(C(C)C(OCC)=O)ccc(N)c1[N+]([O-])=O	27
+C(C)OC(C=1Sc2ccc(cc2C(=O)C=1)O)=O	8240
+C(OC(CCc1cc(ccc1)O)=O)C	27
+C(OC(CCc1cc2c([nH]1)c(F)cc(c2)Br)=O)C	27
+c1c2c([nH]cc2CCC(OCC)=O)ccc1	27
+c1(OCC)c2n(c3ccccc3n1)ncc2C(=O)OCC	8241
+c1c2c(n[nH]c2CC(=O)OCC)ccc1	27
+c1c2c(oc1CCCCBr)cc(cc2)C(=O)OCC	47
+c1(ccc2cc(ccc2n1)O)C(=O)OCC	226
+c1(-c2cc(cc(-c3ncccc3)n2)OCC)ncccc1	260
+C(OCc1ccc(c(C#N)c1)OC)C	555
+c1cc(F)cc(-c2cccc3NC(=O)Cc23)c1	1052
+O(c1nc(NC)c(cc1)[N+]([O-])=O)CC	91
+c1cc(cc(c1OC)F)C2C(CC(=O)O)C2	4472
+c1ccccc1-c2cc3cccc3oc2CC(OCC)=O	27
+c1cc(ccc1)-c2ccc(C(C(OCC)=O)C)cc2F	27
+c1cc(ccc1)C(c2ccccc2)C3CCN(CC3)C(=O)COCC(=O)OCC	27
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)C(C(C)(C)F)c4cc(cc(c4)F)C(=O)OCC	47
+C1CN(CCC1(C(OCC)=O)Nc2cc(C)ccc2)Cc3ccccc3	27
+c1cc(ccc1)Cc2cnc(C(=O)OCC)cc2	8242
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3cccc(c3)C(C4CC4)CC(=O)OCC	2198
+c1cc(ccc1Cn2c3c(C(=O)OCC)cccc3nc2OCC)-c4c(C#N)cccc4	8243
+c1cc(ccc1F)-c2cccc3NC(=O)Cc23	1052
+c1cc(ccc1-c2c3c(ccn2)c(CC(OCC)=O)ccc3)[N+](=O)[O-]	27
+c1cc(ccc1-c2oc(-c3ccccc3[N+](=O)[O-])nn2)C(OCC)=O	47
+c1cc(ccc1Br)-c2c(CC(=O)OCC)c(C)no2	27
+c1cc(ccc1Br)C(C(=O)OCC)(N)C	27
+c1cc(ccc1C(C)OCC)C(=O)OC	2774
+c1cc(ccc1C(=O)c2ccc(OCC(=O)OCC)c(Cl)c2Cl)O	27
+c1cc(ccc1C(=O)OCC)C#N	47
+c1cc(ccc1Cl)C(CC(OCC)=O)c2c3cccc(CSCC)c3[nH]c2	2198
+c1cc(ccc1CC2(CC(OCC)=O)CCCN(C(C)=O)C2)C	4282
+c1cc(ccc1Br)CCc2c(C(=O)OCC)cccc2	8244
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(OCC)n3)OC	91
+c1cc(ccc1CN(Cc2n(ccn2)C)Cc3[nH]ccn3)CN(CCC(=O)OCC)CCCCN(CCC)CCC	456
+c1cc(ccc1F)-c2c(c(nc(c2C(OCC)=O)C(C)C)C(C)C)COCC	8245
+c1cc(ccc1-c2ccc3c(c(OCC)ncn3)c2)F	145
+c1cc(ccc1OCC)C(C2CCN(CC2)CC(O)=O)=O	57
+c1cc(ccc1F)C(c2ccc(cc2)F)(CCCBr)C(OCC)=O	204
+c1cc(ccc1CC(OCC)=O)I	27
+c1cc(ccc1N2CC(CC2=O)C(OCC)=O)F	27
+c1cc(ccc1Nc2ncnc3cc(OCC)c([N+]([O-])=O)cc23)Oc4ccccc4	724
+c1cc(ccc1O)CC(OC)C(OCC)=O	27
+c1cnccc1-c2c3CC(Nc3ccc2)=O	1052
+c1cc(ncc1Br)CNC(CCC(OCC)=O)=O	27
+CCOC(=O)c1n[nH]c2c1cccn2	226
+c1cc2c(c(OCC)c(C#N)cn2)cc1I	260
+c1cc(ccc1)C(c2ccccc2)(C(C(OCC)=O)O)C	4473
+c1ccccc1C=2CCN(CC=2)CCCCc3c[nH]c4ccc(cc34)C(=O)OCC	47
+c1cc(ccc1)CC(O)C(=O)OCC	27
+c1cc(ccc1)CN2C(C(OCC2=O)C)C(=O)OCC	27
+c1ccccc1CN2CCC(CC2)N(C)CC(OCC)=O	27
+c1ccccc1COCCC(C2OCCO2)CCCO	8246
+c1cnccc1N2CCC(CC2)C(=O)OCC	27
+CCOC(=O)c1nn2C(=S)Nc3c(cccc3)-c2c1	226
+n1c(N)nn2cc(-c3cc(ccc3)C(=O)OCC)ncc12	47
+n1cccnc1-c2c(C(N3CC(CCC3C)Oc4cc(OCC)ccn4)=O)ccs2	2467
+c1cc(c(c(F)c1F)COc2cc(c(Cl)cc2OC)Nc3c(c(ncn3)OCC)[N+]([O-])=O)OC	145
+n1nccc(C(OCC)=O)c1N	342
+OB(O)c1cc2c(CCC2)cc1OC	3358
+c1cc(C(=O)OC)cc2OCCc3c(-c12)sc(c3)C(N(c4c(Cl)cccc4)C)=O	8247
+c1cc(ccc1)CN2CCC(CC2)(O)C(OC)=O	8248
+c1(C)cc(cc(C)c1C(C(=O)C)C#N)Cl	1260
+c1cc(ccc1)CN2C3CC(CC(OCC)=O)(CC2C(F)(F)C3)O	3601
+c1nc(C(=O)C)ccc1C	8249
+c1c(F)c(c(cc1)F)C(C#N)C(C)=O	1260
+c1c(F)c(c(cc1OC)F)C(C(C)=O)C#N	1260
+c1cc(ccc1)C(Cc2ccc(cc2)OC)(CC(OCC)=O)O	3660
+c1cc(ccc1Cl)Nc2ncc(cc2Cl)C(=O)CC(=O)C	2201
+c1cc(ccc1C(CC(=O)C)=O)F	2201
+c1cc(ccc1F)CCN2CCC(CC2)N3c4cc(C(C)=O)ccc4CC3	8250
+c1ccccc1-c2cc(c(C)cc2)C=O	8251
+Fc1cccc(F)c1COc2cccc3c(C(OCC)=O)c(C)nn23	2169
+O=S(=O)(C)c1ccc(Oc2cc3cc([nH]c3c(OC)c2)C4=NCC(S4)CC(=O)OCC)cn1	892
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c([nH]c(C4=NCC(S4)CC(=O)OCC)c3)c(c2)C	892
+O=S(=O)(c1ncc(Oc2cc3c([nH]c(C4=NCC(S4)CC(=O)OCC)c3)c(c2)OCC)cc1)C	892
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C=4SC(CN=4)CC(=O)OCC)[nH]3)c2)CC)cn1	892
+O=S(=O)(N(C)c1cccc2c1[nH]c(C3=NCC(CC(=O)OCC)S3)c2)c4cccs4	892
+O=S(=O)(N(c1c2[nH]c(cc2ccc1)C=3SC(CN=3)CC(=O)OCC)C)c4ccccc4OC	892
+O=S(=O)(N(C)c1ccc(c2c1[nH]c(C=3SC(CC(=O)OCC)CN=3)c2)C)c4cccs4	892
+Cc1c(nnn1-c2cc(Cl)c(F)cc2)C(=O)OCC	8252
+c1c(OC(=CC(OCC)=O)C)c2c(cccc2)cc1	8253
+CCOC(=O)c1c(C)onc1-c2c(cccc2)F	2366
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(cc([nH]3)C4=NCC(S4)CC(=O)OCC)c2	8254
+c1cc(ccc1S(=O)(=O)C)Oc2cc3c([nH]c(c3)C4=NCC(S4)CC(=O)OCC)c(OC(C)C)c2	892
+c1cc(ccc1)COc2cc(C)cc3c(C(=O)OCC)c(C)nn23	2169
+c1cc(ccc1Cl)-c2nc(sn2)C(=O)OCC	4474
+C(OCC)(=O)C(=CNc1ccccc1C(C)=O)C(CCC)=O	8255
+O=C(OCC)C(C(=O)OCC)(NC(C)=O)CCc1ccc(cc1)Sc2ccccc2	165
+C(C(C)C(OCC)=O)c1c(cccc1)-c2ccccn2	8256
+O(C(=O)C(C(OCC)=O)(Cc1ccc(cc1)Br)C)CC	8257
+CC(C)CC(C(=O)OCC)c1cc(c([N+]([O-])=O)cc1F)F	4475
+C(C)OC(=O)C(C(=O)OCC)(CC(=O)c1ccc(c(F)c1)C)O	8258
+CC(C)CC(C(=O)O)C(OCC)=O	3
+CC(C)CC(C(O)=O)C(O)=O	8259
+CCOC(=O)C(C(OCC)=O)(CC(C)C)c1c(cc(c(F)c1)[N+](=O)[O-])F	8260
+O=C(OCC)C(C(=O)OCC)CCCOc1cc(ccc1)C#CCCCCCC	20
+O(CC)c1c(c(ccc1)F)C2CC(C(=O)N2Cc3cccc(-c4nc(Cl)cs4)c3)C	1737
+Fc1c(Oc2c(OC)c(ccc2)C(C)C(O)=O)cccc1	3
+c1([nH]nc(C(C(=O)O)C)c1)C	3
+FC(F)(F)c1cc(Cl)n(CC=2N=C3N(C(C(C(=O)OCC)C)=C(C)S3)C(C=2)=O)n1	8261
+c1c2ncc(C(=O)OCC)n2ccc1OCCOC	2936
+c1cc2ncc(n2cc1Br)C(=O)OCC	2936
+CCOC(=O)C(CC=O)C	465
+c1cc(ccc1OCc2n(CCC(C(OCC)=O)C)c3cccc(C)c3n2)Cl	656
+Clc1cc(cc(Cl)c1)C=2CC(ON=2)(C(OCC)=O)CO	8262
+FC(F)(F)Oc1ccccc1-c2cccc(-c3nc(C(OCC)=O)sc3)c2	2946
+c1(csc(C(=O)OCC)n1)-c2cc(Br)c(c(Br)c2O)O	2946
+Cc1c(sc(C(=O)OCC)n1)Cc2cc(ccc2)Br	8263
+c1c(cc2-c3nc(C(=O)OCC)sc3CCOc2c1)Br	8264
+c1cc(ccc1C(O)=O)-c2csc(n2)C(OCC)=O	2946
+N(C(c1sccc1)=O)C(C(OCC)=O)C	8265
+CCOC(=O)C(OCC)N1C=CC=C(N)C1=O	8266
+c1cc(ccc1)NC=2C(=O)N(C(C(OCC)=O)OCC)C=CC=2	8267
+OC(C(C)c1ccc2NC(=O)Nc2c1)=O	3
+c1(N)c(c2c([nH]1)cncc2)C(OCC)=O	8268
+N(=C(C(=O)O)c1csc(N)n1)OCC	3
+FC(F)(F)Cc1ccc(cc1)N2C(C3(CC(=O)NCC3)CC2)=O	2007
+FC(F)(F)Oc1ccc(cc1)N2C(C3(CC(=O)NCC3)CC2)=O	2007
+c1cccc(N2N(C)C=C(C(=O)O)C2=O)c1OC	108
+O=S(=O)(C)CCCOc1cc(c(cn1)-c2ccc(F)c(COc3ncc4C5C(C5C(OCC)=O)Cc4c3)c2)C	1424
+c1c(C)c(c(cc1)C)-c2nc(COc3ncc4C5C(C(OCC)=O)C5Cc4c3)c(F)cc2	8269
+C1(C(OCC)=O)CCc2c3cc(ccc3[nH]c12)Br	8270
+CCOC(=O)C1=CN(N(c2c(cccc2)OC)C1=O)C	8271
+N1(c2ccccc2N=C(C(O)=O)C1=O)CCO	3
+C=1(CO)CCCC=1c2c(cccc2)F	2947
+c1cc(c(cc1CN2CCOC(C2)CNC(=O)CSc3nc(cs3)C(=O)OCC)Cl)Cl	8272
+O(C(CCNC(C)CC(=O)OCC)=O)CC	1340
+C(OC(C=Cc1cnc(N)c(C(OCC)=O)c1)=O)C	1953
+c1cc(ccc1OCC2(CC(C)C)Oc3c(c(C)c(OC(C)=O)c(C)c3C(=O)C2)C)CC(C(=O)OCC)Cl	1659
+c1cc(ccc1CC(C(=O)OCC)Cl)OCC2(CCc3c(C)c(OC(C)=O)c(c(C)c3O2)C)C	1659
+CC1(C)C(N(C)c2cc(C=CC(=O)OCC)ccc2N(CC)C1=O)=O	8273
+FC(F)(F)c1c(F)cc(-c2cc(c(N)c(c2)C=CC(OCC)=O)F)cc1	233
+FC(F)(F)c1c(cc(c(C=CC(=O)OCC)c1)N)F	233
+FC(F)(F)c1cc(c(C=CC(OCC)=O)cc1)Cn2nc(nn2)C	233
+c1(F)c(Br)cc(C=CC(OCC)=O)c(N)c1	3998
+c12c(CCN(CC1)C(OCC)=O)cc(C=CC(OCC)=O)c(N)c2Cl	233
+O(CC)C(C=Cc1cc(c(c(F)c1)F)O)=O	233
+O(CC)C(C=Cc1cc2CC(CCCc2cc1)=O)=O	233
+c1cc(ccc1C=CC(=O)OCC)-c2csc(N)n2	233
+c1cc(ccc1C#N)C=CC(=O)OCC	233
+O(CC)C(C=Cc1ccc(nc1)Cl)=O	4476
+c1ccccc1CNc2c(c(nc(N)n2)C)C=CC(=O)OCC	4349
+c1cc(ccc1)OC(=CC(OCC)=O)C	8274
+c1c(c(cc(F)c1N)C(=CC(OCC)=O)C)F	8275
+CCOC(=O)C=Cc1c(CC#N)cccc1	163
+c1(c(cccc1)CCC(OCC)=O)CC#N	159
+Oc1nc2c(cc1)cnc(Br)c2	8276
+c1(C=CCO)c(cccc1)Br	4216
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(OCC)=O)=O	14
+O=S(=O)(c1cc2c(ncnc2O)cc1)n3cc(cc3)C=CC(=O)OCC	917
+c1c(OC)ccc(CCC(OCC)=O)c1OC	159
+c1nc2c(nc1O)ccnc2Cl	8277
+C(OC(CNc1c(cc(Cl)c(I)c1)OC)=O)C	4477
+c1(F)cc(cc(F)c1C(C(OCC)=O)O)OCC	4478
+O(C(=O)C(O)c1c(O)ccc2ccccc12)CC	4478
+c1cc(ccc1)COC(=O)Nc2cc3[nH]c4c(c3cc2)c(-c5ccccc5F)cnc4C(OCC)=O	8278
+c12nc(C(OCC)=O)n(CCCCCCCCCCCCCCCCCC)c1cccc2	8279
+c1c(OC)ccc2c1n(CC(OCC)=O)c3CCCC(=O)c23	256
+C(OC(Cn1c(cc2cc([N+]([O-])=O)ccc12)C)=O)C	256
+Clc1cc(c(NCC(OCC)=O)cc1)Oc2ccc([N+]([O-])=O)cc2Cl	1230
+Clc1ccc(CNC(=O)c2c(nn(CC(=O)OCC)c2)OCC)c(Cl)c1	764
+c12c(ccc(Cl)c1)CC(N(CC(=O)OCC)CC2c3ccccc3Br)=O	584
+FC(F)(F)COCCOCCOCCOCCOCCOCCOCC(OCC)=O	337
+FC(F)(F)COc1c(OCC(=O)OCC)cccc1	52
+FC(F)(F)c1c(c2c(c(ccc2)-c3c(C)n(C)nc3C)n1CC(OCC)=O)CCCOc4cc(C)c(c(c4)C)Cl	256
+FC(F)(F)c1c2CCN(CC(=O)OCC)Cc2n(CC(Nc3c(OC)ccc(Cl)c3)=O)n1	303
+FC(F)(F)c1cc(n(n1)CC(OCC)=O)Cl	764
+FC(F)(F)c1ccc(cc1)-c2sc(c(n2)C)CCC(=O)c3cc(C)c(cc3)OCC(OCC)=O	52
+FC(F)(F)c1n(nc(-c2cc([N+](=O)[O-])c(OCC(OCC)=O)cc2F)c1Cl)C	52
+FC(F)(F)c1nn(c(c1)-c2ccc(cc2)Br)CC(OCC)=O	764
+FC(F)(F)c1scc(C(CN(C(C)Cc2ccc(cc2)OCC(OC)=O)CC(=O)OCC)O)n1	303
+FC(F)Oc1c(c(c(cc1)Br)OCC(=O)OCC)OC	52
+c1cccc(c1OCC(OCC)=O)Oc2c(Cl)cc(F)c(NC(=O)C)c2	52
+c1(F)cc(OCC(=O)OCC)c(cc1C)C(NCc2c(cc(cc2)Br)F)=O	52
+C(OC(CN1CCCCC1C)=O)C	303
+c1(cc(Cl)c(cc1)Br)NCC(OCC)=O	1230
+O(c1cc(cc(OC)c1)OCC(=O)OCC)C	52
+c1cc(C)cc(C=O)c1OCC(OCC)=O	52
+O=Cc1cc(c(OCCCC)c(Cl)c1)OCC(OCC)=O	52
+O=S(=O)(N(c1ccc(Cl)cc1C(c2c(cccc2)Cl)O)CC(OCC)=O)c3ccc(c(OC)c3)OC	4071
+O=S(=O)(NCCc1c(cc(cc1)-c2ccccc2S(=O)(=O)C)OCC(=O)OCC)c3cc(ccc3OC)C#N	52
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(ccc13)OCC(OCC)=O)C	52
+[N-]=[N+]=NC(OCCOCC(OCC)=O)COc1cccc(C(=O)O)c1	337
+[N-]=[N+]=NC1CCc2ccc(OC)cc2N(C1=O)CC(OCC)=O	933
+c1cnn(c1C(=O)c2c(Cl)c(Cl)c(c(CC=C)c2)OCC(=O)OCC)C	52
+C(OC(COc1c(Cl)cc(CO)c(c1)OC)=O)C	52
+C(OC(COc1cccc(I)c1)=O)C	52
+c1cc(c(c(F)c1OCC(OCC)=O)NCc2c(c(cc(-c3cc(F)ccc3)c2)C)C)F	52
+c1(cc(cc(C)c1N=C2N(C)C(N(C)C(=C2)c3ccc(c(OC)c3)OCC(OCC)=O)=O)C)C	52
+c1c(C)c(c(cc1C(c2sccc2)=O)C)OCC(=O)OCC	52
+c1(C=O)cccc(OCC(OCC)=O)c1	52
+C(n1c(cc(n1)CC)CC)C(=O)OCC	764
+c1(ccc(cc1Cl)C(O)(CC(OCC)=O)CC)Cl	2040
+c12cc(sc1c(Cl)c(Cl)c(OCC(=O)OCC)c2)C(O)C	52
+C(c1n(CC(OCC)=O)c2cc(cc(C)c2n1)Br)CC	1457
+c12c(nn(c1C(C3CC23)OCOC)CC(OCC)=O)C(=O)N	764
+c1c2c(ccc1OCC(OCC)=O)ncn2C	52
+c12c(cc(Cl)c(Cl)c1)OCC(=O)N2CC(=O)OCC	933
+c1c(C)c(c(cc1)C)-c2cc(COc3ccc4c(ccn4CC(OCC)=O)c3)ccc2	256
+Cc1cc(cc(C)c1OCC(OCC)=O)Br	52
+c1cc(cc(C)c1OCC(OCC)=O)CO	52
+c1cc(ccc1OCC(OCC)=O)-c2cc(Cl)c(c(Cl)c2)CC3CCN(C3=O)C4CCCCC4	52
+c1cc(cc(c1)-c2ccc(F)c(c2)CNc3c(c(ccc3F)OCC(=O)OCC)C)F	52
+c1c(cc(Cl)c(c1)N2CCN(CC(OCC)=O)C2=O)Br	4072
+O(c1ccc(cc1OCC)Br)CC(=O)OCC	52
+C(OC(COc1cccc(c1)CCCO)=O)C	52
+CCOC(=O)CN1c2c(cccc2)CCCCC(N=[N+]=[N-])C1=O	933
+c12c(cccc1)CC3OCC(=O)N(CC(=O)OCC)C23	584
+C(OC(Cn1c2c(cccc2C#N)cc1)=O)C	256
+C(OC(CN(C)CCc1ccc(cc1[N+]([O-])=O)F)=O)C	303
+c1c(CC(OC)=O)cc([N+]([O-])=O)c(OCC(=O)OCC)c1	52
+c1cc(ccc1)-c2cnn(c2)CC(=O)OCC	764
+c1ccccc1C(c2cc(c(cc2OCC(=O)OCC)OC)Cl)O	52
+c1cc(ccc1)C(c2ccccc2)CC(N3CCN(CC3)CC(=O)OCC)=O	303
+c1cc(ccc1)CC(c2cc(C)c(cc2)OCC(=O)OCC)=O	52
+c1cc(ccc1)COC(=O)c2cccc(Oc3cc(C)c(cc3)OCC(OCC)=O)c2	52
+c1ccccc1SCC(OCC)=O	8280
+c1cc(ccc1OCC(OCC)=O)-c2c(C)nc(c(C#N)c2)O	52
+c1cc(ccc1-c2cc(on2)-c3nn(CC(OCC)=O)nn3)Oc4c(ccc(F)c4)Br	4479
+CC(C)CC(=O)C(CC(OCC)=O)NC(c1ccc(cc1)F)=O	8281
+c1cc(ccc1C(Nc2cc(OCC(OCC)=O)ccc2NC(=O)c3cc(C#N)ccc3)=O)C(C)C	52
+c1cc(ccc1-c2ccc(F)cc2F)C(C)(O)CC(=O)OCC	2040
+C1CCCCC12N(C(C(c3ccc(cc3)C)=N2)=O)CC(=O)OCC	584
+c1cc(ccc1C2CN(C(C2)=O)CC(OCC)=O)Cl	584
+c1cc(ccc1C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5)COCC(=O)OCC	337
+c1cc(ccc1OC)C=CCCCCOc2c(cc(cc2)C(=O)CCCC(OC)=O)OCC(OCC)=O	52
+c1cc(ccc1COc2c3nc(CC)n(c3ccc2)CC(OCC)=O)OC	1457
+c1cc(ccc1Cc2c(C)n(c3ccccc23)CC(OCC)=O)[N+]([O-])=O	256
+c1cc(ccc1Cl)C(=O)NC(CC(OCC)=O)C(=O)c2ccsc2	8282
+C1CC2(CCO1)N(C(C(c3ccc(cc3)Cl)=N2)=O)CC(=O)OCC	584
+c1cc(ccc1Cl)Sc2c(C)n(CC(OCC)=O)c3cccc([N+]([O-])=O)c23	256
+c1cc(ccc1F)C(C2CCN(CC2)CC(OCC)=O)=O	303
+c1cc(ccc1F)C2(c3ccc(cc3)F)CCN(CC(=O)OCC)C2=O	584
+c1cc(ccc1C2(c3ccc(cc3)F)CCCN(C2=O)CC(=O)OCC)F	584
+c1cc(ccc1OCc2ccc(cc2)F)OCC(OCC)=O	52
+c1cc(ccc1C(=O)CC)OCC(OCC)=O	52
+c1cc(ccc1OCC(OCC)=O)C(=O)CCCC	52
+c1cc(ccc1Cl)Oc2c(n(c3ccc(F)cc23)CC(OCC)=O)C	256
+O=S(=O)(c1ccc(cc1)N(CC(OCC)=O)C)O	2319
+N#Cc1ccccc1NCC(=O)OCC	1230
+c1ccc(OCC(=O)OCC)c(c1)C	52
+c1ccccc1-c2cc3n(c(nc3c(c2)C)CCC)CC(=O)OCC	1457
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COCC(=O)OCC)c4	337
+c1ccccc1C2(c3ccccc3)CCCN(CC(=O)OCC)C2=O	584
+c1ccccc1C2CCCN(CC(=O)OCC)C2=O	584
+c1ccccc1C2c3cc(c(c(c3C(=O)C2CC)Cl)Cl)OCC(OCC)=O	52
+c1cc(ccc1OCC(OCC)=O)NC(OCc2ccccc2)=O	52
+c1ccccc1COc2c(OC)cc(C=O)c(OCC(=O)OCC)c2	52
+c1(cc(cc(F)c1OCc2ccccc2)COCC(OCC)=O)F	337
+c1ccccc1COc2cccc3c2nc(C)cc3OCC(OCC)=O	52
+c1ccccc1COc2ccc3c(ccn3CC(=O)OCC)c2	256
+c1ccccc1N(C(=O)C2CCc3n(c4ccc(cc4c3C2)C#N)CC(OCC)=O)C	256
+c1cc(ccn1)C(C(c2ccc3ccccc3c2)=O)CC(=O)OCC	8283
+n1cc(cnc1N2CCC(CC2)O)-c3nn(nn3)CC(OCC)=O	4479
+C(OC(CN1C(=O)C=C(C=C1)n2cc(nc2C)C#Cc3cccc(C)c3)=O)C	8284
+c1(Cl)cc(cc(Cl)c1)N2C(=S)NC(=O)C=C2N	4480
+FC(F)(F)c1cccc(N2C(N)=C(C(OCC)=O)C(C(C(=O)OCC)=C2C)c3cc4c(ccc(C#N)c4)o3)c1	8285
+FC(F)Oc1c(Cl)c(-c2c(Cl)cc(Cl)c(c2)C=C(C#N)C(OCC)=O)nn1C	2948
+c1([N+]([O-])=O)cccc(-c2c(C#N)c(O)nc(SC)n2)c1	8286
+C1(=S)NC(=O)C=C(N)N1CCCCC	2949
+S=C1N(C(N)=CC(N1)=O)c2cc(CC)ccc2	4480
+O(C)c1cc(cc(OC)c1)C=C(C(OCC)=O)C#N	2948
+c1([nH]c2c(cccc2)n1)CN3C(N)=CC(=O)NC3=S	2949
+c1ccccc1COCC(Cc2nc(O)c(C#N)c(-c3ccc(c(Cl)c3)Cl)n2)C	4304
+c12ccccc1cc(cn2)N3C(NC(=O)C=C3N)=S	8287
+c1ccccc1C(CC(C(OCC)=O)C#N)=O	8288
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(C#N)C(OCC)=O	8289
+N1(C(C)c2[nH]c3ccccc3n2)C(=S)NC(C=C1N)=O	2949
+c1ccccc1C=C(C#N)C(=O)OCC	2948
+c1cc(cc(F)c1F)C=2n3nc(C)cc3NC(=O)C=2	2950
+C(=O)(C)c1cc2CCC(C)(Oc2c(CCC)c1OCCCOc3ccc(C(=O)C)c(O)c3CCC)CCC(O)=O	3
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCC(OCC)=O)OC)OC	1028
+n1(c(nc2cnc3ccccc3c12)CCC)CCCCCCCCCCCC(NC)=O	271
+O=S(=O)(C)CCOCCOCCOCCOCCOCCOCCCCCC(OCC)=O	1887
+c1(Cl)cncc(Cl)c1Sc2c([N+](=O)[O-])cc(C(=O)NCC(OCC)=O)s2	2765
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(OCC(=O)NCC(=O)OCC)cc3)C	188
+O=S(=O)(NCCc1c(OCC(=O)NCC(OCC)=O)cc(C(C)C)cc1)c2c(OC)ccc(C#N)c2	188
+Fc1cc(c([N+](=O)[O-])cc1F)NCC(=O)OCC	945
+C(OC(CNc1c([N+]([O-])=O)cccc1F)=O)C	945
+C(OC(=O)CNCc1c(N)c(C)cc(-n2ncnc2)c1)C	1528
+c1cc(ccc1)Nc2ccc(cc2)C(=O)NCC(OCC)=O	259
+O=S(=O)(Nc1ccccc1Oc2ccc(Cl)cc2Cl)c3ccc(cc3)C(=O)NCC(OCC)=O	259
+c1ccccc1Nc2cnc(C(=O)NCC(=O)OCC)cc2	1008
+C(OC(CNc1ncnc(Cl)c1[N+]([O-])=O)=O)C	2581
+CCOC(=O)CN1c2c(cccc2)CCCCC(N)C1=O	1584
+O=C(CNC(=O)c1ccccc1O)O	3
+c1cc(ccc1-c2cc(N)n(n2)CC(=O)OCC)F	8290
+Ic1cc2NC(CNc2nc1)=O	8291
+c1(cc(SCC(OCC)=O)nc(N)n1)C	8292
+c1cc(ccc1C)S(=O)(=O)N2Cc3c(CC2)sc(C(OCC)=O)c3	3609
+c1ccccc1OCC2CCC(CC2)N(C(Nc3sc(cn3)SCC(OCC)=O)=O)C4CCCCC4	8293
+c1nc(c2CCc3c(cc(c(OC)c3)[N+]([O-])=O)-n12)C(=O)OCC	2515
+c1cc(ccc1Cl)-c2c([nH]cc2C)C(=O)OCC	8294
+FC(F)(c1cc(-n2cnc(CO)c2)ccc1F)C	8295
+CN(C)CCN(c1ccccc1[N+]([O-])=O)C(OCC)=O	1199
+C(OC(Nc1nc2c(ccc(C)c2)nc1OC)=O)C	2205
+C[Si](C)(C)CCOCn1c(ccc1)C(=O)c2ccc(cc2)NC(OCC)=O	90
+C(C)OC(=O)c1c(Cl)ccc(N)c1F	1826
+FC(F)(F)C(=O)N1CC(CCC1)c2c(cccc2)NC(=O)OCC	90
+FC(F)(F)C(CC1CCc2cc(ccc2O1)NC(OCC)=O)OCc3ccccc3	90
+FC(F)(F)c1cc2c(N(C(CC)CN2C(C#N)c3cc(Cl)c(cc3)Cl)C(=O)OCC)cc1	1199
+FC(F)(F)c1cccc(c1)N2C(=O)N(C(OCC)=O)C(c3n(-c4ccc(cc4)C#N)ncc3)=C2C	8296
+O=C1NC(=O)ON1c2cc(F)c(cc2)F	8297
+N#Cc1ccc2cc(cc(-c3c4ccccc4ccc3)c2n1)NC(=O)OCC	90
+C1CN(C(=O)OCC)CC(c2cc(ccc2)OC)=C1	8298
+C(C)OC(N1Cc2c([nH]c3c2cccc3[N+]([O-])=O)CC1)=O	66
+c1(c(c2c(cc1)N=C(OC2=O)OCC)CC)[N+]([O-])=O	8299
+c1c(C(=O)O)c(OC(=O)OCC)ccc1	644
+c1(C)cccc(C)c1CNc2cccn3c(C)c(COC(=O)OCC)nc23	405
+CCOC(=O)Nc1cccnc1	950
+C(c1c(c(OC)ccc1OC)F)(OCC)=O	1826
+C(OC(=O)Nc1c(C#N)c(c(cc1)Br)F)C	90
+C1Cc2ccccc2C(c3c1cccc3)=CC4CN(CCO4)C(=O)OCC	66
+c12c(cccc1)n(c(N3CCN(C(OCC)=O)CCC3)n2)CCOCC	1142
+c1(cc(cc(C)c1NC(=O)OCC)Br)C	90
+Fc1c(NC(=O)OCC)cc(c(Br)c1)OCC	90
+C(OC(=O)Nc1cccc(CCNC(C)=O)c1)C	90
+C(OC(=O)Nc1cccc(CO)c1)C	90
+N(c1ccc(C)c(c1)C(=O)c2ccc(Nc3c(F)cc(F)cc3)cc2Cl)C(=O)OCC	90
+C(OC(Nc1nc2ccc(cc2nc1OC)F)=O)C	2205
+C(C)OC(=O)N1NC(c2c1ccc([N+]([O-])=O)c2)=O	3268
+c1cc(ccc1)C(C(c2c3c(ccc2)cccc3)O)CNC(OCC)=O	101
+c1ccccc1CC(C(=O)O)NC(OCC)=O	544
+C1(CN(CCC1=O)C(OCC)=O)C	1600
+C1CN(C(=O)OCC)CC(c2cc(ccc2)OC)=C1	8300
+c1cc(ccc1)CN2CC(N(CC2)C(=O)OCC)C	66
+c1cc(ccc1)CNC(=O)C(CO)NC(=O)OCC	1403
+C1CC(CCN1C(OCC)=O)(c2ccc(cc2)Br)c3ccc(cc3)Cl	66
+c1cc(ccc1Br)N2CCC(CC2)NC(=O)OCC	101
+c1cc(ccc1C2=NOC(N2)=O)C=3C=CC(=O)N(Cc4cc(NC(=O)OCC)ccc4)N=3	4481
+c1cc(ccc1Cl)NS(=O)(=O)c2ccc(OC)c3c2OCC(NC(OCC)=O)C3	101
+c1cc(ccc1F)-c2nc3n(nc(c(C)c3C)Cl)c2C4C=NN(C=C4)C(=O)OCC	8301
+c1cc(ccc1F)CNc2ccc(NC(OCC)=O)c(N)c2F	8302
+c1cc(ccc1OCC(C)NC(OCC)=O)OCC=C(C)C	101
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)C3=NOC(N3)=O)OCC=C(Cl)Cl)Cl	4481
+c1cc(ccc1)C(=O)Oc2c(-c3c(c(C)ccc3OC(=O)OCC)C)c(c(cc2)C)C	644
+c1ccccc1C(=O)c2cc([N+]([O-])=O)c(CC(OCC)=O)cc2	8303
+c1ccccc1COC(=O)NC2CC(CC)N(C(=O)OCC)c3c2nc(cc3)OC	8304
+c1ccccc1COC(Nc2c(cc(cc2)NC(=O)OCC)O)=O	90
+c1ccccc1COc2cc3onc(NC(OCC)=O)c3cc2	278
+N(C(OCC)=O)CCc1ncc2ccccc2c1	101
+c1cc(ccc1C(CCCCN2CCN(C(=O)OCC)C(C)C2)c3cnccc3)F	53
+n1n2c(c(Br)ccc2)nc1NC(OCC)=O	977
+c1cc(ccc1C#N)-c2nnc(NNC(OCC)=O)cc2C	8305
+c1cc(ccc1C(=NNC(=O)OCC)CO)Cl	8306
+CCOC(=O)NC1CCCNC1	8307
+C(c1c(c2ccccc2[nH]1)C(O)=O)(=O)OCC	2038
+c1c2c(NC=3CCCC(=O)C=3C2c4oc(Sc5[nH]c6c(n5)cc(Cl)c(c6)Cl)cc4)c(C(OCC)=O)[nH]1	2503
+N#Cc1c(C(=O)O)[nH]c(C)c1Cl	6
+c1(C)cccc(C)c1CNc2c3nc(c(n3ccc2)C)C(=O)OCC	2951
+NNC(=O)c1c(C)nc(-c2cccnc2)[nH]1	2100
+c1cc(ccc1F)CCn2nc(cc2)-c3nc(c(C(=O)OCC)s3)C	338
+CCOC(=O)c1c(C)nc(-c2n[nH]cc2)s1	3470
+Nc1sc(c(C)n1)C(=O)O	6
+c1cc(ccc1F)-c2nc3n(c(C)c(s3)C(OCC)=O)c2	2952
+c1cc(ccc1F)CN2C(N(c3nc(c(C(OCC)=O)s3)C)CC2C)=O	1083
+c1c2c(CCN3CCN(c4sc(C(=O)OCC)c(n4)C)C3=O)c[nH]c2ccc1	1794
+c1cc(ccc1F)CN2C(=O)N(CC2)c3sc(c(C)n3)C(OCC)=O	1083
+c1ccccc1CN2C(=O)N(CC2)c3sc(c(C)n3)C(OCC)=O	1083
+Cc1nc(N2C3C(N(CC3)C(=O)c4nc(Cl)c(CC)[nH]4)C2)sc1C(=O)OCC	2090
+c1ccccc1CCCc2cn(-c3nc(c(C(OCC)=O)s3)C)nn2	8308
+Fc1cccc(F)c1COc2cc(cn3c(C(OCC)=O)c(C)nc23)F	2953
+OCc1c(noc1C)-c2c(cccc2)F	903
+FC(F)(F)c1ccc(N2CCN(CC2C)Cc3c(n[nH]c3)C(=O)OCC)nc1	678
+FC(F)(F)CNc1c(C(=O)OCC)nc(nc1)Cl	8309
+c12cc([nH]c1c(ncn2)O)-c3occc3	8310
+O=C(c1c(N=[N+]=[N-])c2c(cccc2)nc1)O	6
+C[Si](C)(C)CCOCn1cc(c(-c2nc3CCCCc3s2)n1)C(=O)OCC	1428
+c1(Cl)nc2CCCCc2c(Cl)c1C=O	1639
+C1Cc2c(nc(C)s2)-c3c(sc(C(=O)OCC)c13)SC	8311
+CCOC(=O)c1ncn2-c3ccccc3C(N(C)Cc12)=O	497
+Clc1cc(ccc1)NC(=O)N2Cc3c(n[nH]c3CC2)C(=O)OCC	326
+O(CCc1n2c(c(C(=O)O)c1)c(Cl)ccc2)CC	6
+c12c(C3C(C3)C1OCOC)c([nH]n2)C(=O)N	314
+c1ccccc1COC(=O)c2c(C)n[nH]c2-c3nc4cc(ccc4[nH]3)C(OCC)=O	567
+c1c(OCC)c(Cl)ccc1CO	217
+C(C)OC(=O)c1cccc(-c2csc(n2)-c3cnccc3C)c1	8312
+Clc1ccc2oc(-c3cc(ccc3)C(=O)OCC)cc2c1	1936
+FC(F)(F)C(=O)c1cc(C(=O)OCC)n(c1)CC=C	531
+c1cc(ccc1Cl)C(c2n(CC=C)c(Br)nc2C(=O)OCC)O	8313
+c1ccccc1CN2Cc3nc(C(OCC)=O)cn3CC2	48
+Brc1ccn2c(c1)nc(CO)c2	874
+Brc1nc(C(=O)O)cs1	6
+c1cc(ccc1-c2cc(F)c(cc2OC)F)OCc3nc(C(OCC)=O)cs3	8314
+CCOC(=O)c1n(c(cc1Nc2ccccc2[N+]([O-])=O)C)C	4483
+c1cc(N)c(cc1)Nc2c(n(c(c2)C)C)C(=O)OCC	0
+c1cc(ccc1)Cn2nc(C(OCC)=O)c3cccnc23	1485
+c1cc(ccc1-n2ccc(C(OCC)=O)n2)F	568
+c1ccccc1Oc2ccccc2Cn3ccc(C(=O)OCC)n3	309
+c1c(F)c(c(cc1)F)C(=O)Nc2c(C(=O)OCC)n[nH]c2	1404
+CCOC(=O)c1n[nH]cc1N	209
+[nH]1nc(C(=O)OC)c([N+](=O)[O-])c1	3870
+CCOC(c1cc(c(cn1)N)N)=O	13
+c1(Cl)ccnc(CO)c1	194
+c1cc(ccc1Cl)NC(c2c(N)n(cn2)C)=O	4484
+c1cccc2c1-n3cnc(C(OC)=O)c3CN(C)C2=O	8315
+c12C3CC(CC3)c1c(nn2C)CO	194
+c12-c3ccccc3NC(=S)n1nc(CO)c2	194
+C1(C(Nc2c(N1)c(Cl)c(Cl)c(Cl)c2Cl)=O)=O	2954
+O=C(OCC)C(CC(c1cccc(Cl)c1)=O)=O	633
+FC(F)(F)c1ccc2c(NC(=O)C(=O)N2C3CCCCC3)c1	2548
+FC(F)(F)c1c(c(c(cc1)OCc2ccccc2)[N+](=O)[O-])CC(=O)C(OCC)=O	2161
+C1(C(=O)Nc2c(Br)cc(cc2N1)Br)=O	2954
+c1cc(ccc1)C2=C(C(N(CCCC)S2(=O)=O)=O)O	8316
+c1(c2nc(cc(NCC)c2cc3c1OC(=CC3=O)C(OCC)=O)C(OCC)=O)CCC	2955
+C1(C(=O)Nc2c(c(c(F)c(F)c2F)F)N1)=O	2954
+Clc1cccc(Cl)c1C(=O)C(OCC)=O	8317
+O=C(OCC)C(=O)Nc1c2C(CC(c2c(C)cc1)CCC)=O	8318
+O(c1cc(cc(OC)c1)C(C(=O)OCC)=O)C	2956
+O=C(C(c1ccc(cc1C)F)=O)OCC	2956
+c1cc(ccc1)C=2C(=O)N(C(=O)C=2O)c3ccccc3Cl	8319
+c1cc(ccc1)COC(=O)N2CCC(CC2)CCCCC(=O)C(OCC)=O	8320
+c1ccccc1OCC(=O)CC(=O)C(=O)OCC	1135
+c1ccccc1Oc2c(NS(=O)(=O)C)cc3c(C(C=C(O3)C(=O)OCC)=O)c2	2955
+c1cc(ccc1Br)C(CC(C(OCC)=O)=O)=O	633
+c1cc(ccc1N(C)C)C(CC(C(OCC)=O)=O)=O	633
+c1cc(ccc1OC)C(=O)CC(C(OCC)=O)=O	633
+C1CCCCN1c2ccc(cc2)C(=O)CC(C(OCC)=O)=O	633
+c1cc(ccc1CN2C(C(Nc3c2cc(F)c(C(OC)=O)c3)=O)=O)OC	2548
+c1cc(ccc1F)C(=O)CC(C(OCC)=O)=O	633
+c1cc(ccc1Cl)-n2c(nc3c2nccc3)C(=O)OCC	8321
+c1cc(ccc1CCC(=O)CC(C(OCC)=O)=O)OC	1135
+c1cc(ccc1OCC(O)=O)C(=O)CC(C(OCC)=O)=O	633
+c1cc(ccc1C=Cc2c3OC(C(=O)OCC)=CC(=O)c3ccc2)OCCCCc4ccc(cc4)F	2955
+c1ccccc1COc2cc(c(C(CC(=O)C(=O)OCC)=O)c(c2)Oc3ccc(cc3)[N+]([O-])=O)OCc4ccccc4	633
+c1cc(ccc1OC)Oc2cc(c(cc2Cl)F)C(C(=O)OCC)=O	2956
+c1cnccc1C(=O)CC(C(OCC)=O)=O	633
+c1cc(ccc1)COc2cc(cc([N+](=O)[O-])c2CC(C(OCC)=O)=O)C	2161
+CC(C)c1c(OCc2ccccc2)cc(c(C(CC(=O)C(=O)OCC)=O)c1)OCc3ccccc3	633
+O=C(OCC)C(CC(c1ccc(cn1)C)=O)=O	633
+c1ccccc1Oc2ncc(cn2)C(CC(=O)C(OCC)=O)=O	633
+C(=O)(C(C#N)(c1c(OC)c(Oc2c(F)cccc2)ccc1)C)OCC	3534
+C12(C(O)=O)c3c(OCC1CCCC2)cccc3	3
+C=1(C(C(=O)O)=C2N(CCC2)C(C=1Cl)=O)Cl	108
+C1C=C(CCN1C)CO	2947
+N1(C=C(C(=O)O)C(Cl)=CC1=O)C	108
+CCOC(C1=CN(C)c2c(C1=O)sc(CO)c2C)=O	1364
+c1cc(ccc1Cl)CNC(C=2C(c3sc(CO)c(c3N(C)C=2)C)=O)=O	1267
+Nc1cc(F)c(C)c2N(C=C(C(c12)=O)C(=O)O)C3CC3F	108
+CCOC(C1=CN(C2CC2F)c3c(C1=O)c(N)cc(F)c3C)=O	0
+c1cc(ccc1)COc2c(cn(C)n2)C(=O)OCC	8322
+n1c(nn(-c2cc(nc(SC)n2)C3C(c4nc5c(cccc5)n4C)C3)c1C)C	8323
+O=S(=O)(C)Nc1c(cccc1)C(N2CC(CCC2)C(=O)OCC)=O	30
+C1(CN(C(=O)Cc2cccs2)CCC1)C(OCC)=O	58
+C1(CN(c2nc(c(cc2)[N+]([O-])=O)N)CCC1)C(OCC)=O	43
+c1cc(ccc1C#N)C(CN2CC(CCC2)C(OCC)=O)O	170
+c1cc(ccc1OC)CN2CC(C(OCC)=O)CCC2	171
+C(OCC)(=O)C1CCCN(CCC2COc3c(cccc3)O2)C1	236
+c1cc(ccc1)N2C(CC(CC2)C(OCC)=O)=O	883
+FC(F)(F)c1cccc(c1C(n2c3c(c(N4CC(C(C(OCC)=O)CC4)O)n2)c(ccc3)F)=O)Cl	8324
+n1c(NC(C2=C(O)C=C(C)N(C2=O)C)=O)sc(C)c1	8325
+O(C(=O)CCCN1c2ccccc2C(NC1=O)=O)CC	783
+C(Cc1n2ccc(cc2cc1C)C#N)(OCC)=O	8326
+FC(F)(F)C(C)(C)c1c(F)cc(cc1F)C2CC2C(=O)OCC	4485
+O(C)c1ncc2c(CC3C2C3C(OCC)=O)c1	8327
+c1cc(ccc1S(=O)(=O)NCCc2ccc(CC(OCC)=O)n2C)F	8328
+CCOC(C1CC1c2nc(SC)nc(c2)-n3c(C)nc(n3)C)=O	8329
+c1(F)c(ccc(c1)Br)C2C(C2)C(OCC)=O	4485
+c1cc(ccc1CC=2C(N(c3n(ncn3)C=2CCC)C4CC(C4)OCC(OCC)=O)=O)-c5ccccc5C#N	3688
+C(OC(C1C(c2sc(cc2)CCCC)C1)=O)C	4264
+C(C1CCc2cc(OCCCOc3ccc(-c4nc(co4)CC)cc3OC)ccc12)C(=O)O	3
+C(c1ccc(c(c1)OC)OCCCOc2cc3CCC(CC(=O)OCC)c3cc2)(=S)N	1855
+C(OC(CC1c2c(cc(cc2)OCCO)CC1)=O)C	665
+c1ccccc1COc2ccc3n(ccc3c2)CCC(=O)OCC	8330
+CCOC(CCC1CCc2cc3cccnc3nc2C1)=O	8331
+c12c(CC(CC1)CCC(OCC)=O)nc3c(CCCN3)c2	2826
+ClC1(Cl)C(=O)CC1CCC(=O)OCC	2747
+CN(C)CCCC1c2c(cc(OCCCC(=O)OCC)cc2)CCc3ccccc13	8
+C[Si](C)(C)CCOC(c1cccc(S(=O)(=O)N(CCCC(OCC)=O)C2CC2)c1)=O	831
+O(C(CCCSc1nc2ccccc2[nH]1)=O)CC	2465
+O(C(CCCOc1c([N+]([O-])=O)cccc1)=O)CC	8
+c12cc(OCCCC(OCC)=O)c(cc1CCC2=O)CCCCCC	8
+n1(ncc2cc(c(C)cc12)Br)CCCC(OCC)=O	1090
+c1cc(OCCCC(OCC)=O)c(cc1Br)OC	8
+O(C(CCCNCCC1Cc2c(cccc2)OC1)=O)CC	132
+c1cc(ccc1-c2ccc(cc2)C#N)OCCCC(OCC)=O	8
+c1cc(ccc1OCCCC(=O)OCC)C=O	8
+c1cc(ccc1Cl)Cc2c(n(CCCC(OCC)=O)c3ccccc23)Br	339
+c1ccc(cc1[N+]([O-])=O)C(c2c3ccccc3n(CCCC(OCC)=O)c2)=O	339
+c1cc(ccc1Oc2c(-c3ccccc3)c(C)cc4cc(ccc24)OC)OCCCC(=O)OCC	8
+c1ccccc1CN(Cc2ccccc2)CCCC(OCC)=O	28
+c1ccccc1Cn2c3c(cc(OCCCC(=O)OCC)cc3)c(CC(=O)N)c2	8
+Clc1cc(c(Nc2c3c(cc(OCCCC(OCC)=O)c(OC)c3)ncn2)cc1)F	72
+C(OC(CCCn1cnnn1)=O)C	4486
+O=S(=O)(NCCCC(OCC)=O)C	111
+O=S(=O)(N(c1cccc2c1[nH]c(c2)-c3sc(cn3)CNCCCC(OCC)=O)C)c4cccs4	4461
+C(OC(CCCNCc1ccc2c(c1)occ2)=O)C	42
+c1cc(ccc1Oc2ccnc3c2sc(c3)C(=O)NCCCC(=O)OCC)NC(Nc4cc(ccc4F)C)=O	227
+c1ccccc1C=2C(=O)N(CC3CCCCC3)c4c(c(O)c(C(NCCCC(=O)OCC)=O)nc4)C=2	658
+n1(C2CCCCO2)nc(C(NCCCC(OCC)=O)=O)c(c1)NC(=O)c3ccccn3	81
+FC(F)(F)C(=O)N1CCc2c(cccc2CCCC(=O)OCC)C1	4324
+C(CNC(Nc1cccc(C(=O)O)c1)=O)C(OCC)=O	675
+CC(C)(C)c1ccc(cc1)NCCC(=O)OCC	1627
+O(C)c1nc(nc(OC)c1[N+]([O-])=O)NCCC(=O)OCC	96
+c1cc(ccc1)OCC(Nc2ccc(cc2)C(=O)NCCC(OCC)=O)c3oc4c(cccc4)c3C	14
+C(OCC)(CCNc1c2ccccc2ncc1[N+]([O-])=O)=O	105
+c1cc(ccc1C(=O)N(CCC(OCC)=O)C)NC(c2oc3c(cc(cc3)OC)c2C)CCCCOC	30
+c1cc(ccc1O)CSCCC(=O)OCC	639
+O=S(=O)(c1nccn1CC(=O)OCC)C	8332
+c1(cc2c(cccc2Br)o1)C(=O)OCC	8333
+c1cc(ccc1Cl)OCC(OCC)=O	1845
+N1c2c(CC1=O)ccnc2	8334
+CCOC(Cc1ccncc1N)=O	13
+c12N(C(Sc1cc(cc2)N3C=C(C(NC3=O)=O)C#N)=O)C	2957
+C(#N)C1=CN(C(NC1=O)=O)c2cc3c(N(C(=O)N3C)C)cc2	2957
+c1cc(ccc1N2CCOC2=O)N3C(NC(C(C#N)=C3)=O)=O	2957
+c12c(Cl)nc3c(n1c(CC)nn2)cccc3	2958
+C(C)c1n2c(nn1)c(nc3c2ccc(c3)OC)OC	2958
+c1cc(ccc1COc2cccc3[nH]c(CC)nc23)OC	8335
+c1cnccc1-c2cc3c([nH]c(CC)n3)nc2-c4cc(F)ccc4	8336
+c1ccccc1COc2cc3c(cc2)ncc4nc(CC)n(c34)C	1700
+FC(F)(F)c1c(OCC)ccc(-c2cc3c([nH]c(CCl)n3)c(n2)C#N)c1	8337
+c1cc(ccc1-c2cc(ccc2C)C(=O)NC3CC3)-c4oc(nn4)CCl	2959
+C1CCCC1n2c(cc3cnc(Cl)nc23)C(OCC)OCC	4442
+c12-c3c(cccc3)C(c1cccc2)COC(=O)NC(C)C(=O)N(Cc4c5ncccc5ccc4)C(C(OCC)OCC)C	10
+C1CC(CCC1)CCn2cc(c3cc(C)ccc23)CCNC	8338
+C(C)OC(OCC)Cn1c(cc(-c2cnccc2)n1)N	8339
+CCOC(CC1CCc2cc(OCCOCC)ccc12)=O	8340
+Cc1ccc2occc2c1	4487
+c1([N+]([O-])=O)ccc(-n2nnnc2)nc1	8341
+Cc1nc(-n2nnnc2)ccc1C(C)C(OCC)=O	8342
+c1c(C)cc(cc1-n2c3cccc(C#N)c3nc2)C	4488
+FC(F)(F)C(Nc1ccc2c(c1CC)nco2)=O	4489
+FC(F)(F)C(=O)Nc1ccc2c(nco2)c1C	4489
+FC(F)(F)Cc1sc2c(c(O)ncn2)c1	8343
+FC(F)(F)c1c2ccc3n(cc(-c4ocnn4)n3)c2nc(O)c1	8344
+FC(F)(F)c1cnc2c(O)ncnc2c1	4490
+FC(F)(F)c1cc(N(C2CCCC(n3cnnn3)C2)CC)ccc1C#N	4486
+FC(F)(F)c1cccc(c1)-c2nc(c3[nH]cnc3c2)C#N	4491
+OC(Cn1cnc(c1N)C(=O)N)C	8345
+c1(-c2ncon2)cc3nc(-c4c(Cl)ccc([N+]([O-])=O)c4)[nH]c3cc1	4492
+c1nc2c(n1C)cc(Cl)nc2C#N	919
+c12c(n(cn1)C)cc(Br)nc2	919
+c1c2c(ncc1)nco2	8346
+c1cc2c(c(ncn2)O)nc1Cl	4490
+c12cc(Cl)nc(Cl)c1c(ncn2)O	8347
+CC1(C)OC(=O)C(C(=O)O1)=CNc2cc(ccc2Br)OC	8348
+n1nncn1-c2ccc3c(CCCC3C(OC)=O)c2	797
+c1c(OC)ccc(c1Br)-n2nnnc2	797
+N1=CN(C(c2nc(Br)cnc12)=O)C	8349
+O(c1c(CC)cc(c(C)n1)-c2ncon2)C	8350
+CC1(C)OC(=O)C(C(O1)=O)=CNc2cccc(OC)c2	2960
+c1cc(ccc1NC=C2C(OC(OC2=O)(C)C)=O)C(c3nccs3)c4ccc(cc4)Cl	2960
+CC1(C)OC(=O)C(C(O1)=O)=CNc2cccc(c2)OCc3ccccc3	2960
+C1CC1C(=O)C(=COCC)C(=O)c2c(cc(Cl)cc2)S(=O)(=O)C	4493
+c1(c(ccc(c1)-n2nnnc2)OC)C(=O)C	797
+c1cc(ccc1C)-c2cc(-n3nnnc3)cc(C(=O)OC)c2	797
+c1cc(ccc1CCCC)-c2c(c3c(cc2)c4Cc5c(ccc(-n6nnnc6)c5)-c4[nH]3)F	797
+c12c(C(=O)N(C1=O)CCCCOc3ccc(cc3)-n4cnnn4)cccc2	797
+n1c2c(Cl)nc(Br)cn2cn1	4189
+c1(F)c(F)c(c(c(F)c1C(C(C(=O)OCC)=CNc2c(cccc2)O)=O)F)N3CCC(NC(=O)C)C3	8351
+c1c(F)c(cc(OC)c1OCc2ccc(nc2)OC)Cn3cnc4cc(I)ccc34	2854
+c1(c(OCc2ccc(nc2)OC)ccc(c1)Cn3cnc4cc(I)ccc34)OC	2854
+c1nc2c(c(Cl)nc(Br)c2)n1C	8352
+Cc1cc(Nc2nc3n(Cc4ncc(cc4F)F)cnc3cc2F)n[nH]1	8353
+C(C)OC(c1cnc(Cl)c2c1n(cn2)C)=O	919
+c12c(nc[nH]1)c(C#N)nc(Cl)c2	4491
+c1(c(c(ccc1C)Cl)Nc2ccccc2-c3nnco3)Cl	2961
+c1(c(NC(=O)C(=CNc2cc(I)c(OCCOC)cc2)C#N)cc(c(Cl)c1)OC)Cl	8354
+n1(Cc2c(F)cccc2)cnc3cnc(Cl)nc13	8355
+c12n(c(CCC)nc1c(C)cc(-c3nnco3)c2)Cc4ccc5c(CCc6c(C5=CC#N)cccc6)c4	2961
+c1(c(OCc2ccc(nc2)OC)ccc(Cn3c4c(cc(cn4)I)nc3)c1)OC	4494
+O(c1c(cc(cc1)Cn2c3c(cc(cn3)I)nc2)OCC)Cc4ccc(nc4)OC	4494
+n1c(Cl)c2ncn(-c3c(Cl)cccc3)c2nc1	4127
+c1n(c2c(ccc(c2)Br)n1)-c3ccc(c(F)c3)C(=O)OCC	4488
+CCOC(=O)C(C(c1c(cc(I)cc1)Cl)=O)=COCC	3335
+c12nncn1cccc2-c3ncccc3	2570
+n1c2cc(ccc2n3cnnc3c1OC)OC	8356
+c1cc(ccc1-c2ocnn2)-c3c(n(C)c(-c4ccccn4)n3)I	2961
+c1cc(ccc1-n2c3c(nc2)cccn3)C(C(OCC)=O)=O	3493
+c1cc(ccc1OC)Cn2cnc3cnc(cc23)Br	919
+c1cc(ccc1)CN2CCC3(CC2)N(C=NC3=O)c4ccc(cc4)F	3702
+c1cc(ccc1CC#N)-n2cnc3cnc4ccc(Br)cc4c23	8357
+c1cc(ccc1O)Cn2cnc3ncc(nc23)-c4sccc4	8358
+c1cc(ccc1[N+](=O)[O-])-c2ncon2	8359
+n12c(nnc1)c3cc(C)ccc3nc2CCl	8360
+c1(ccn2cnnc2c1)-c3ncccc3	2570
+O(CC)C(OCC)P(OCC)(CC(c1ccc(cc1)OC)C[N+]([O-])=O)=O	8361
+O=Cc1cc2cnc(cc2[nH]1)Br	1921
+C(OC(OCC)c1ccc(cc1)CNC)C	42
+CCOC(OCC)c1cc2c(o1)c(-c3cccc(C=O)c3)cnc2	4495
+c1cc2c(cc1)cc(CO)[nH]2	194
+CCOC(c1n(C)c2c(cccc2)c1)=O	144
+CCOC(=O)c1[nH]c2c(cccc2)c1C=O	287
+c1cc2[nH]c(cc2cc1)C(NC)=O	780
+CCOC(c1[nH]cc(CCN)c1)=O	51
+O(C(c1n[nH]c(c1)NC(=O)c2cc(F)c(cc2Cl)F)=O)CC	330
+O(C(c1n[nH]c(c1)NC(=O)c2cc(F)c(cc2C)F)=O)CC	330
+CCOC(c1[nH]nc(N)c1)=O	161
+c1cc(ccc1F)-c2n(C)cc(C(OCC)=O)c2C	1072
+c1(cn2c(c1C)c(c(C#N)cn2)Cl)C(=O)OCC	8362
+c1(c(C)n(C)cc1)C(=O)O	6
+Clc1ncc(c(C)n1)C(=O)O	6
+CCOC(c1c(C)nc(nc1)NN)=O	1657
+CCOC(c1c(C)nc(Cl)nc1)=O	740
+c1(c(C)nccc1)CO	351
+c1(C(=O)O)c(C)onc1-c2ccncc2F	6
+c1nccc(n1)-c2c(C(=O)O)c(C)on2	6
+C(C)OC(c1cn(-c2cccnc2)nc1Cl)=O	2962
+c1(c(Cl)nc(SC)nc1)CO	897
+CCOC(c1c(NC)nc(SC)nc1)=O	40
+FC(F)(F)CNc1c(cccn1)C(=O)OCC	70
+c1c(cc2nsnc2c1)Oc3c(cccn3)C(OCC)=O	136
+c1cc(ccc1)CN2CCN(CC2)c3ncccc3C(OCC)=O	43
+c1cc(ccc1Nc2ccccn2)Oc3ncccc3C(OCC)=O	136
+c1c(cc2nonc2c1)Oc3c(cccn3)C(OCC)=O	136
+CCOC(=O)c1c(F)cnc(Cl)n1	8363
+c1c(c(I)nn1C2CCCCO2)C(=O)OCC	1738
+Nc1c(CO)cnc(Cl)c1	351
+c1ccccc1NC(=O)Nc2c(cnn2C)C(=O)OCC	8364
+CN(C)c1ccc(cc1)-c2nc(ncc2)-n3cc(C(OCC)=O)c(n3)N	2963
+n1cccnc1-n2nc(c(c2)C(OCC)=O)N	2963
+c1(CO)c(NC)cc(Cl)nc1	351
+c1(CO)c(NC)nc(SC)nc1	897
+CCOC(C1=CN(C)c2c(Cl)nc(C)cc2C1=O)=O	8365
+CCOC(C1=CN(C)c2c(C1=O)sc(C=O)c2C)=O	8366
+CCOC(c1c(C)c(Br)n(C)c1)=O	819
+c1cc(ccc1)COC(=O)OC2Cc3c(c(cnc3CC2)C(=O)OCC)O	405
+c1(Oc2cc(ccc2)F)c(CO)cccc1	217
+Cc1nn(-c2cccnc2)cc1C(=O)OCC	2962
+c1cc(ccc1)Cn2nc(c(c2)C(=O)OCC)[N+]([O-])=O	309
+c1ccc2c(-c3c(csc3CO)-c4ccccc4O2)c1	2842
+O1CCCn2c1c(C(=O)O)cn2	6
+Ic1c2c(nc(Cl)cc2C(=O)OCC)n(C3CCCCO3)n1	1846
+c1c(c(Cl)cc(OC)c1)OCc2csc3c(cnc(Cl)c23)C(=O)OCC	1739
+C(C)OC(c1cnc(Cl)c2c(COc3cc(ccc3C)NC(c4ccc(NCCO)c(Cl)c4)=O)csc12)=O	1739
+c1cc(ccc1Br)OCc2c3c(ncc(C(OCC)=O)c3sc2)Cl	1739
+c1cc(ccc1COc2cc(ccc2)OCc3c4c(sc3)c(C(=O)OCC)cnc4Cl)Cl	1739
+c1ccccc1C(Nc2ccc(c(OCc3c4c(c(cnc4Cl)C(OCC)=O)sc3)c2)C)=O	1739
+CCOC(c1c2c(I)n[nH]c2nc(Cl)c1)=O	4190
+CCOC(c1c2c(n[nH]c2)nc(Cl)c1)=O	137
+C(OC)Cc1n2c(c(C(=O)O)c1)c(Cl)ccc2	6
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(cnn14)C(=O)OCC	790
+c1cc(N2C(CCC2)c3cc(ccc3F)F)nc4c(cnn14)C(=O)OCC	790
+O1CCc2c3n(ncc3CO)ccc12	536
+O=S(=O)(n1c(C)c(C(=O)OCC)cc1Br)c2cnccc2	1690
+c1(C(=O)O)cc(Br)c(C)[nH]1	6
+CCOC(c1cc(c(Cl)nc1)C#N)=O	4496
+c1ccccc1-c2sc(nn2)NC(=O)c3c(c4c(ncc(C(OCC)=O)c4)s3)N	3192
+c1ccccc1COCCCCN(C(=O)c2cc(cc(C(OCC)=O)c2)C)CCC	30
+c1(C(=O)O)cc(Cl)c(C)[nH]1	6
+CCOC(c1cc(C#N)c(O)nc1)=O	2189
+CCOC(c1cc2c(nc1)n(CCCOC)c(N)n2)=O	8367
+c1cc(C(=O)O)cc([N+]([O-])=O)c1OCC	6
+c1(C(=O)O)cc([nH]c1)-c2n[nH]c3c2cccn3	6
+c1cc(ccc1)CCNC(=O)c2cc([nH]c2)-c3n[nH]c4c3cccn4	1556
+CCOC(c1cc(N)c(NCCCOC)nc1)=O	13
+c1cc(ccc1Nc2nc3cc(ncc3[nH]2)C(OCC)=O)OC	8368
+c1(Cl)c2c(ccn1)cc(CO)[nH]2	194
+c1cc2cc(CO)[nH]c2nc1	194
+c1cc(ccc1)S(=O)(=O)n2ccc(C(OCC)=O)c2C	917
+c1cc(ccc1OCC=C)CCC(c2[nH]c(C(OCC)=O)cc2)=O	1053
+c1cc(ccc1Cl)CC(c2cc([nH]c2)C(=O)OCC)=O	432
+CC(C)(C(=O)OCC)c1ccc(cc1)OCc2ccccc2C(OCC)=O	22
+O=S(=O)(c1sc(cc1)C(=O)OCC)Cl	2206
+C(C)OC(c1sc(cc1)[N+]([O-])=O)=O	8369
+n12CCOCc1c(cc2)C(=O)O	6
+COc1cc(cc(OC)c1OC)-c2cc(C(OCC)=O)ccn2	140
+c1(cc(cc(OC)c1Cl)-c2nccc(C(OCC)=O)c2)OC	140
+C(C)OC(c1cnn(C)c1)=O	1211
+C(C)OC(c1cnn(c1)CC#N)=O	4497
+C(C)OC(c1cnn(-c2nc3c(c(O)n2)cc([N+]([O-])=O)cc3)c1)=O	8370
+n1cc(C(=O)OCC)cn1-c2n(COCCOC)c3c(n2)c(c(Cl)c(Cl)c3)Cl	2482
+c1cc(ccc1C)S(=O)(=O)n2cc(cn2)C(OCC)=O	3952
+c1cc(ccc1OC)Cn2ncc(C(=O)OCC)c2	309
+c1cc(ccc1-n2ncc(C(OCC)=O)c2)Oc3c(Cl)ccc(c3)F	568
+C(c1ccc2CCCN(c2c1)CCOC)n3ncc(c3)C(=O)OCC	4498
+C(c1ccc2c(cc(C)n2C)c1)n3ncc(c3)C(=O)OCC	4498
+c1c2c(ccc1)nc(c3c(C(=O)OCC)cnn23)Cl	8371
+C(c1n(C)c2c(cccc2)c1)(=O)NC	780
+FC(F)(F)c1ccccc1COC2CN(C2)c3ncc(s3)C(=O)OCC	641
+CN(C)CCCCNC=O	1212
+FC(F)(F)c1cc(n(n1)C)Oc2cccc(CNC=O)n2	1212
+c1cc(ccc1S(=O)(=O)N2C3CC(C(C=O)C2CCC3)=O)Cl	8372
+c1c(c(c(cc1)OC)C)CCNC=O	1212
+c1cc(c(cc1F)C)C(c2ccc(F)cc2C)=C(c3nnnn3C)C=O	4499
+CCn1c(C(=O)Nc2cccc(C(c3ccc4NC(=O)C(C=O)c4c3)=O)c2)cc(C)n1	1557
+c1cc(N)c(cc1)CC(c2sccc2C)N(C=O)C	3695
+c1c2c(cc(CNC=O)c1)N(c3c(nccn3)S2)COC	1212
+c1ccccc1-c2nn(c3C4(CC(C(=O)C(C)C4CCc23)C=O)c5ccccc5)C	4500
+c1cc(ccc1)C23C(CCc4c2nc(nc4OC)-c5ccccc5OC)C(C)C(C(C3)C=O)=O	4500
+c1cc(ccc1)COc2cccc(c2)CCNC=O	1212
+c1ccccc1Oc2cccc(C(C#N)C=O)c2	8373
+c1cc(ccc1Br)CCc2c(CCNC=O)cccc2	1212
+c1cc(ccc1Cc2cc3C(C=O)C(=O)Nc3cc2)NC(=O)c4n(nc(c4)C)CC	1557
+c1cc(ccc1C(c2ccc(cc2)F)=C(c3n(C)nnn3)C=O)F	4499
+c1cc(ccc1NC(C)=O)C(=O)c2cc3NC(=O)C(C=O)c3cc2	1557
+c1ccccc1Cn2c3c(c(OCCNC=O)ccc3)c4c2ccc(C)c4	1212
+C1(C(c2sc(C)nc2CC1)=O)C=O	8374
+c1ncncc1CC(C(OCC)=O)C=O	2474
+Clc1cc(cc(Cl)c1Oc2cc3cc(ccc3nc2)C(=O)OC)[N+](=O)[O-]	8375
+c1cc(ccc1C)CC(=O)c2c(Cl)cc(cc2)Cl	4501
+c1cc(ccc1CC(=O)c2c(Cl)cc(cc2)Cl)F	4501
+CC(C)(c1ccccc1Br)O	8376
+c12c(CCC1)cc(c(c2)I)C=O	4502
+c1(ncc(Cl)cc1Cl)C(=NOCC)CBr	1213
+O=S(=O)(c1ccc(c(c1C=NOCC)Cl)C(O)=O)C	135
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3C(CCCO3)=NOCC	350
+CCOP(OCC)(=O)C(P(OCC)(OCC)=O)CCCOc1ccc(cc1)C(C=C)=O	116
+CCOP(OCC)(=O)C(P(OCC)(OCC)=O)CCCI	343
+C1C2N(C(CC2)c3ccc(c(F)c3)F)C(C(C1)=Cc4cc(c(-n5nc(C)nc5)cc4)OC)=O	3528
+c1(ccc(C)c(c1C=C2C(NC(=O)N2C)=O)C)[N+]([O-])=O	3864
+C(OCCOCCP(=O)(OCC)O)COC	228
+O(CC)P(OCC)(=O)Cc1c(cc(c(C)c1)C=O)C	8377
+O(CC)P(OCC)(Cc1cc[n+](c2ccccc12)[O-])=O	924
+CCOP(OCC)(Cc1c2ccccc2nc(c1)C(=O)N)=O	862
+FC(F)(F)c1c(nc(nc1)Nc2c(OC)cc(CP(OCC)(OCC)=O)cc2)Cl	55
+c1cc(ccc1)P(c2ccccc2)c3ccc(cc3)P(OCC)(OCC)=O	8378
+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(c(NC(CP(OCC)(OCC)=O)=O)cc34)OC	33
+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(OCC)c(cc34)NC(CP(OCC)(OCC)=O)=O	33
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(ncnc2cn1)Nc3ccc(c(Br)c3)F	142
+CCOP(OCC)(=O)Cc1c2c(nc(C#N)c1)cccc2	8379
+C1CC(CCC1)CCCCCCCCCCCCP(OCC)(=O)O	228
+c1ccccc1-n2c(c(c3c2cccc3)C=O)N4CCN(CC4)CCOP(OCC)(OCC)=O	4337
+c1cc(ccc1CC(N)=S)C(OC)=O	8380
+CCOP(OCC)(=O)c1cc(sc1)-c2c(P(OCC)(OCC)=O)cc(s2)I	1927
+c1cc(ccc1C(Nc2ccc(cc2)P(OCC)(OCC)=O)=O)Oc3ccccc3	67
+CCOP(OCC)(c1ccc(cc1)N)=O	0
+CCOP(OCC)(c1sc(Cc2cc(C(O)=O)cc(OC(C)C)c2)cc1)=O	1429
+[O-][N+](c1cc(OCC)c(P(OCC)(C)=O)cc1)=O	8381
+CCO[Si](OCC)(OCC)CCCI	363
+O(CC)[Si](OCC)(OCC)CCCOCc1ccc(cc1)OC(=O)c2ccccc2	481
+CN(C)C=Cc1c(cc(C#N)c(n1)OCC)[N+](=O)[O-]	1693
+c1cc(ccc1OC)COc2c(cc(cn2)Br)OCC	91
+O(c1c(OCC)cccn1)C	91
+O=C(O)c1c(OCC)c2c(c(OCC)c1C(=O)O)cccc2	6
+CCOc1c2c(CC(=O)OC)c[nH]c2c(Cl)cc1F	27
+CCOc1c2c(CC(=O)OC)cn(c2c(Cl)cc1F)C	144
+O(CC)c1c2c(CC(OC)=O)cn(C)c2ccc1F	2207
+C(Oc1c2c(C(=O)N(C2=O)c3ccc(cc3)CC(OCC)=O)c(c4c1cccc4)OCC)C	668
+CCOc1cccnc1CSCCNC(SC)=C[N+](=O)[O-]	8382
+CCOc1cccnc1CSCCNC(=C[N+](=O)[O-])NC	2063
+CCOc1c(Cl)nccc1	137
+CCOc1ccnc(NCCN)c1	340
+FC(F)(C)C=CC(=O)NCCNc1cc(ccn1)OCC	8383
+C(COP(CCC#N)(CC)=O)O	8384
+Clc1ccc(c(c1)SCC)C=O	411
+S(CC)C(c1sc2c(Cl)cccc2c1)=O	8385
+FC(F)(F)c1cc(SCC)cc(S(=O)(=O)N(C)C2CCCc3c2cnn3CC(OCC)=O)c1	411
+O=S(=O)(C)c1cc(C(O)=O)c(SCC)cc1	411
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(nc(c4)CCCSCC)F	786
+S(CC)c1c(N)c(Br)cc(n1)CC	8386
+O=S(=O)(CCCn1c(cc2c1ccc(c2)Cl)C(OCC)=O)CC	8387
+O=S(=O)(CC)c1ccc(C=O)cc1F	2964
+Clc1cc2N(Cc3ccccc3Oc2cc1)C(=O)CNC(=O)CCSCC	952
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cnc(c4)C5(CC5)OC	8388
+Cc1c2nc(C3CC3C(CC)=O)nn2c(C)cn1	2851
+Clc1cc(Cl)c(N2CCCn3c2nc4c(Cl)ccc(c34)C(CC)O)cc1	1430
+Clc1ccc(C(CC)=O)c(Nc2ccccc2Cl)c1	1740
+FC(F)(F)CN1C(Nc2c(cc(cc2)F)C1(CC)c3ccccc3)=O	8389
+FC(F)(F)c1cc2c(C(O)CC)ccc(COC)n2n1	1430
+FC(F)(F)c1cc2n(c(ccc2C(CC)O)OC)n1	1430
+O=C(OC)C(=COC)c1ccccc1COc2cc(c(C(CC)O)cc2C)C	758
+c1(C)nc(OC)ccc1N2CCCn3c2nc4c(Cl)ccc(C(O)CC)c34	1430
+n1c2c(c(O)nc1CCCC)cc(cc2)C(O)CC	758
+c1(cc(c(cc1)Oc2ccnc3cc(c(cc23)OC)OC)C(O)CC)Cl	758
+C1CC1(c2ncccc2)N	4503
+C(c1cc(C)ccc1Oc2ccnc3cc(c(cc23)OC)OC)(O)CC	758
+CCC(c1ccc2occc2c1)=O	1740
+c1c(cc(c(C(CC)=O)c1)C)Br	1740
+c1c(cc(C(O)CC)c(F)c1)Br	758
+c12nc(c(nc1cc(Cl)c(Cl)c2C(O)CC)OC)OC	1430
+c1cc(ccc1)CN(Cc2ccccc2)c3ccccc3C4(CC4)O	8390
+c1ccccc1Nc2c(ccc(Cl)c2)C(CC)=O	1740
+c1cc(ccc1-c2nc3ccn4c(c3cc2-c5ccccc5)nnc4CO)C6(CC6)N	2208
+C1CC1(c2ccc(cc2)Br)N	2208
+c1cc(ccc1-c2ccc(nc2)C(O)CC)C(N)=O	2899
+C1CC1(c2ccc(OCOC)c(n2)Cl)N	4503
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCc4ccc(cc4)C5(CC5)N	2208
+c1ccccc1CC=2C(N3CCSC3=NC=2C(O)CC)=O	8391
+c1(c(nc(SC)nc1Cl)CC)C#N	4336
+C1CC1(c2ncc(cn2)C)N	8392
+C1CC1(N)c2oc(C)cn2	8393
+FC(F)(F)c1cc(-c2nc(c(cc2)C(CC)O)C)ccc1	8394
+c1(c(C)ccc(c1)F)C=C([N+](=O)[O-])C	1734
+c1c(cc(C=C([N+](=O)[O-])C)c(F)c1)F	1734
+c1cc(ccc1C=C(C)[N+]([O-])=O)Cl	1734
+c1ccccc1C(C([N+]([O-])=O)C)O	8395
+c1c(C#N)ccc(C2c3c(NC(=C2C(=O)C)C)ccnc3OCC)c1CC	8396
+CC[Si](CC)(CC)c1[nH]c2c(c1CCCC3(CCC(CC3)(c4ccccc4)N(C)C)O)cncc2	8397
+CC(C)(C(N)=O)c1c(cccc1)C#C	8398
+C(C)[Si](CC)(CC)OCc1cn(COCC)cn1	19
+C(C)[Si](CC)(CC)OC(c1ccc(c(NS(=O)(=O)C)c1)OCc2ccccc2)CI	19
+C(C)[Si](CC)(CC)OC(CN(Cc1ccccc1)CCOCc2ccccc2)c3cc([N+](=O)[O-])ccc3	19
+CC[Si](CC)(CC)OC(CC)(CC)CCC=C(c1cc(cs1)C=O)CC	8399
+CC[Si](CC)(CC)OC(CC)(CC)CCC=C(CC)c1cc(CO)cs1	8400
+O(Cn1c(C(=O)C)nc(CO)c1)CC	4504
+C1CC(CCC1(O)CCCc2c[nH]c3ccncc23)(c4ccccc4)N(C)C	8401
+c1cc(ccc1OC)Nc2c(cccc2)NC(c3conc3CC)=O	2965
+Cc1nc(c(C(=O)OC)cc1CC)OC	91
+O(c1c(cc(CC)c(C)n1)[N+](=O)[O-])C	91
+CCc1c(C)nc(Cl)c(c1)[N+](=O)[O-]	8402
+C1(C(=O)Nc2cc(CC)c(cc2N1)CC)=O	2966
+C1C(C(CN(C1)c2cc(OC)cc(c2)C(=O)OC)OC)NC(c3nc(Cl)c(CC)[nH]3)=O	855
+c1cc(ccc1-c2nc(C(OC)=O)co2)NC(=O)c3[nH]c(c(CC)n3)Cl	616
+Cc1nc(-n2nc3CCC(NC(c4nc(Cl)c(CC)[nH]4)=O)Cc3c2)sc1C(=O)OCC	855
+o1c(nc(C(=O)OCCCC)c1CC)N2CC(C(CC2)NC(c3[nH]c(c(CC)n3)Cl)=O)OCCC	855
+c1(nc(cnc1Cl)C(NCc2sc(C)nc2)=O)CC	312
+CCc1c(Cl)ncc(C(=O)O)n1	1
+c12c(n(cn1)C)cc(Nc3c(CC)cc(-c4cccs4)nc3)nc2	8403
+O(c1c(CC)cc(Br)c(C)n1)C	766
+O=S(=O)(c1ccc(s1)-c2c(nc(c(c2)CC)O)C)Cl	2206
+CCc1c(O)ncc(C(=O)OC)n1	1910
+CCc1c(Cl)ncc(C(=O)OC)n1	4505
+N(=[N+]=[N-])Cc1cccnc1CC	8404
+FC(F)(F)c1ccccc1CC(NC(c2sc(C)c(-c3c(CC)cnn3C)c2)=O)CN4C(c5ccccc5C4=O)=O	227
+CCc1c(n(C)nc1)-c2c(C)sc(C(=O)O)c2	1
+n1c(c(CC)c(n1C)-c2csc(c2)C(=O)OC)Cl	2209
+c1c(CC)c2c(ccc(C=O)c2cc1)O	582
+CCc1cc(NC=2C(N(C=C(Br)C=2)C)=O)no1	523
+CCc1c(CC)cc(c(N)c1)N	0
+O(c1c(cc(c(c1)OCC)Br)CC)C(C)=O	385
+C(c1cc(cc(CC)c1-c2cccc(c2)CO)OCCCS(=O)(=O)C)C	41
+CCc1cc(cnc1CC)-c2nc(no2)-c3cc(CC)c(OCC4OC4)c(C)c3	72
+c1cc(ccc1Cn2c(ccc2)CC)-c3c(Br)cccc3	8405
+c1(CC)cccc(CC)c1C(Cl)=O	82
+CCc1cccc(CC)c1NC(=O)N2Cc3c(C(=O)O)n[nH]c3C2	6
+c1cc(ccc1-c2c(CC)ccnc2N)OC	89
+FC(F)(F)CCNC(=O)c1ccc(cc1)-c2csc(-c3cc(ncc3)CC)n2	1741
+O=S(=O)(Nc1onc(CC)c1Br)c2ccccc2	4506
+CCn1c(C(=O)Nc2cccc(C(c3ccc4c(C(C(N4)=O)=CNc5cccc(O)c5)c3)=O)c2)cc(C)n1	1300
+c12c(c3c(nn(c3CCCCN)CC)c(N)n1)CCCC2	3426
+CCn1nc(C)c2C(CCc3ccc(C)c(C)c3)NCCCc12	2967
+CCn1c(c(Cl)cn1)-c2coc(c2)C(=O)OC	697
+CCn1c2ccccc2c(C(Nc3ccc(cc3Cl)CC(O)=O)=O)c1	4
+CCn1c2ccccc2c(C(Nc3ccc(CC(OC)=O)cc3Cl)=O)c1	246
+CCn1c2ccccc2c(c1)C(=O)O	1
+CN(C)c1ccc2c(ccc(n2)C)c1	4507
+CC1(C)C(c2c(cc(c(c2)OC)CCCCCC)C1)=O	8406
+CC(c1cc2c(cc1)N(C(=O)N2C)C)=O	8407
+CN(C)c1ccc(cc1)-c2oc3c(cccc3c2)C(=O)OC	4507
+CN(C)CCCOc1ccc(OCCCC)cc1CCCOC	76
+COc1c(OC)cc(cc1)C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O	2968
+c1(cc(cc(OC)c1)NC(SC)=C(C#N)S(=O)(=O)C)OC	8408
+CC1(C)c2c(cc(cc2)OC)NC1=O	8409
+COc1cccc2ccc(CC)nc12	8410
+COc1nc(c(cc1)C(OCC)=O)C(C)C(=O)OCC	8411
+C[Si](C)(C)C#CC(OC)c1ccccc1C#Cc2ccccc2	4145
+C[Si](C)(C)C#Cc1c(C(C)C(OC)=O)cccc1	643
+C[Si](C)(C)CCOCn1ccc2c1nccc2N(C)c3c(cc(cc3)[N+]([O-])=O)F	4260
+C[Si](C)(C)CN=C(c1cc(C#N)c(-n2ncnc2)cc1)SC	4508
+C[Si](C)(C)CN=C(SC)c1ccc(Br)c(C)c1	4508
+Cc1c(cc2CCCCC(c2n1)OC)C(=O)OCC	76
+c12cccc(C)c1n(cc2)C	144
+COc1cc(C)ccc1Cl	65
+COc1cc(C)cc(C)c1CCCC	65
+c1c2c(ccc(c2)C(=O)OC)n(C)c1C	144
+Cc1n(C2=CC(=O)N(C)C=C2)c(nc1C#Cc3cccc(C)c3)C	8412
+Cc1c2c(n(C)n1)ncnc2Cl	2969
+Cc1c(CC(OC)=O)c(O)nc(SC)n1	2970
+Cc1nn(C)cc1N2c3c4cc(ccc4ncc3N(C2=O)C)Br	3954
+Cc1oc2cc(N(C)c3nc(Cl)ncc3)ccc2c1C(NC)=O	1121
+N1=NN(c2cccc(Cl)c2C)C(=O)N1C	2493
+Clc1cc2N(CCOc2c(C(=O)OC)c1)C	891
+Clc1cc(Cl)c(c([N+]([O-])=O)c1)OC	65
+Clc1cc(c(C=O)c(Cl)c1)OC	65
+O(C)c1ncc(c(Cl)c1)[N+](=O)[O-]	766
+Clc1cc(c(c([N+]([O-])=O)c1)NC)OC	2971
+Clc1cc(Br)c(c([N+]([O-])=O)c1)OC	65
+Clc1cc(C(=O)OC)c(c([N+]([O-])=O)c1)C	272
+Clc1cc(Br)c2c(n(cn2)C)c1	1652
+Clc1ccc2C(C(=O)Nc2c1)C	2528
+Clc1ccc2C(c3nc(sc3C=Cc2c1)C)c4c(nc(nc4)O)SC	8413
+Clc1ccc2c(I)nn(C)c2c1	2158
+Clc1ccc2cc(-c3cc(C=O)cnc3)n(c2c1)C	144
+Clc1cccc(C2=CC(=O)N(C)c3ccc(C(c4cccc(I)c4)=O)cc23)c1	4509
+c1c(Cl)c(c(cc1)Cl)C=2C(=O)N(c3c(c(nc(Nc4ccccc4)n3)N)C=2)C	8414
+Clc1cc(cc(Cl)n1)C	8415
+CC(c1c(Cl)cccc1F)C(OC)=O	643
+C=1N(C(C([N+](=O)[O-])=C(C=1)Cl)=O)C	8416
+Clc1ncc(c(c1)C(=O)OC)[N+](=O)[O-]	272
+FC(F)(F)C(=O)NC(C(=O)NCCCc1n(c2ccccc2c1)C)CC	144
+FC(F)(F)C(=O)N1C2C(C)(C)C(C)(c3ccc(c(c3C2)OC)[N+](=O)[O-])CC1	65
+FC(F)(F)C(=O)N(C)C1CCN(CCC1)c2n(ncc2[N+](=O)[O-])CC(F)F	782
+FC(F)(F)C(N(CC1(CCN(CC1)C(OC(C)(C)C)=O)c2ccc(cc2)I)C)=O	782
+FC(F)(F)C(=O)N(CCc1ccn(S(=O)(=O)c2ccccc2)c1)C	782
+FC(F)(F)C(=O)N(c1ccc(cc1)I)C	239
+FC(F)(F)C(=O)N(C)c1ccc2nc(oc2c1)C	239
+FC(F)(F)C(=O)N(c1ccccc1C#N)C	239
+FC(F)(F)C(OC)c1cc(ncc1)C#N	76
+FC(F)(F)C=1N(C(N(C(C=1)=O)c2ccc3snc(Cl)c3c2)=O)C	1742
+FC(F)(F)C=1N(C(=O)N(c2c(cc(Cl)c3CCCOc23)F)C(=O)C=1)C	1742
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2cc(c(cc2F)Br)OCC	1742
+FC(F)(F)CC(C(=O)N1C(=O)OCC1Cc2ccccc2)C	4082
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(OC)=O	272
+FC(F)(F)CN(C)c1ccc(cn1)[N+]([O-])=O	1347
+FC(F)(F)COc1cc(ncc1C2CC2)C(=O)NC(c3nnn(C)n3)(CC4CC4)C	1694
+FC(F)(F)COc1nc(C(OC)=O)ccc1	272
+FC(F)(F)S(=O)(=O)N(C)c1c(Oc2c(cc(cc2)Cl)Cl)cc(cc1)Cl	418
+FC(F)(F)c1n(C)c2cc(OC)ccc2c1C(=O)OCC	144
+FC(F)(F)c1c(Cl)ccc(Oc2c(cc(CSC=3N(C=C(Cc4cncnc4)C(=O)N=3)C)cc2)C#N)c1	8417
+FC(F)(F)c1c(ccc(C#N)c1)Oc2ccc(C=C3SC(SC)=NC3=O)cc2OC	4510
+FC(F)(F)c1cc(nc2n(C)nc(I)c12)Cl	2969
+FC(F)(F)c1cc(N2C(=O)C(c3ccc(cc3)F)(N(C)C2=O)COCC=C)ccc1C#N	1949
+FC(F)(F)c1c(C#N)ccc(c1)N2C(C(N(C)C2=O)(COCC=C)c3ccc(cc3)C#N)=O	1949
+FC(F)(F)c1cc(ccc1)N2C(=O)N(C)C(C(C#N)=C2C)c3c([N+]([O-])=O)cc(cc3)C#N	1431
+FC(F)(F)c1cc([N+](=O)[O-])c(N2CC(N(C)C(OC(C)(C)C)=O)CCC2)cc1	397
+FC(F)(F)c1nc2ccc(-c3cc4ccccc4o3)cc2c(OC)c1	65
+FC(F)(F)c1cc(S(=O)(=O)N(C)C2CCCc3n(ncc23)CC(=O)OCC)cc(F)c1	693
+FC(F)(F)c1cc(ccc1C#N)Oc2ccc(cc2)-c3nc(cc(C=C)n3)C(OC)=O	272
+FC(F)(F)c1c(OC)cc2c(n(cc2C)C)c1	144
+FC(F)(F)c1c(cc2c(ccn2C)c1)F	144
+FC(F)(F)c1cc2ncn(-c3ccccc3)c2c(c1)-c4cc(N(C)C(C)=O)ccc4	239
+FC(F)(F)c1ccc(c2n(C)c(cc12)C(OCC)=O)OCc3ccccc3	144
+FC(F)(F)c1ccc(cc1)-c2cc(C)ccc2C(=O)OC	272
+FC(F)(F)c1cc(C)c(C2=NC(C)(C)CO2)cc1	1297
+FC(F)(F)c1ccc(cc1)N(C(c2ccc(C#N)c(C)c2)=O)C	816
+FC(F)(F)c1cc2c(cc1)N(C(CC2(C)C)c3cc(Br)ccc3)C	891
+FC(F)(F)c1cccc(N2C=3CCNC(=O)C=3C(c4c(cc(C#N)cc4)Br)N(C)C2=O)c1	1431
+FC(F)(F)c1cccc(C(Nc2cc(N3C(c4c(nc(nc4)SC)N(C3=O)C)=O)c(cc2)C)=O)c1	8418
+FC(F)(F)c1c(-c2c(C)c(cn2C)C(OC)=O)cccc1	819
+FC(F)(F)c1cnc(-c2ccc(cc2)CC(c3n(C)c4ccc(cc4c3SC(C)(C)C)OC)C(OCC)=O)cc1	144
+FC(F)(F)c1cc(c(nc1)-c2cc3N(C)C(N(C(C)C)c3cc2)=O)Cl	620
+FC(F)(F)C=1N(C)C(C(c2c(cc(c(OC)c2)Cl)F)=NC=1)=O	4511
+FC(F)(F)c1cc(n(C)n1)C	1211
+FC(F)(F)c1nc(c(CN2C(=O)N3C=CC(c4ccc(cc4)Cl)=C(c5ccncc5)C3=N2)cc1)COC	76
+FC(F)(F)c1cc(ccn1)N2C=3CCC(=O)C=3C(c4ccc(C#N)cc4Br)N(C)C2=O	1431
+FC(F)(SCC)C(OC)(c1c(F)cc(F)cc1)Cn2cncn2	76
+FC(F)(c1ccc(F)cn1)c2nc3cc(ccc3c(n2)SC)Br	4512
+FC(F)c1cc(ccc1)N2C=3CCC(C=3C(N(C2=O)C)c4ccc(cc4)C#N)=O	1431
+C1CC(CCC1(F)F)C(C)(C)C(=O)OCC	1389
+CC1(C)C(N(c2c(N(C1)C3CCC(F)(F)C3)nc(Cl)nc2)C)=O	998
+C1CCC1N2c3c(cnc(Cl)n3)N(C(C(F)(F)C2)=O)C	998
+Fc1c(F)cc(F)c(F)c1C	1297
+c1(F)cc(cc(F)c1)C=2C(c3cc(ccc3N(C=2CC)C)F)=O	8419
+c1c(F)c(c(cc1)F)-n2c3c(C=C(Br)C(=O)N3C)cn2	8420
+Ic1c2c(nccc2[N+](=O)[O-])n(C)c1	2211
+C=1N(C(C=C(I)C=1)=O)C	8421
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)NC(SC)=NC#N	8422
+c1(c(cccc1)N(C(c2cc(C)c(C#N)cc2)=O)C)-c3ccco3	816
+c1(N=C(SC)NC)cc(C(=O)O)cc(c1)O	8423
+c1(nn(c2c1ccc([N+]([O-])=O)c2)Cc3ccc(C(=O)OC)cc3OC)OC	8424
+CC1=CC(N(c2ccccc2F)N1C)=O	3845
+N1=C(c2cc([N+]([O-])=O)ccc2)C(=CC=3N1C(=O)N(N=3)C)C	2668
+C(C)OC(N1CCC2C(C1)c3cccc4N(C(CN2c34)=O)C)=O	239
+o1c2c(ccnc2Br)nc1SC	8425
+Cc1nc(SC)nc(O)c1C	4311
+n1c(O)cc(CCC)nc1SC	8426
+N1(C)CCCC(C1)C(Nc2nc(-n3cnc4ccccc34)ccn2)C	1022
+S(C)c1nnc(CCCCO)n1C	8427
+Clc1c(cc2CCC(N(c2c1)C)=O)Br	239
+c1(c(c(N2C(c3ccc(OC)cc3N(C2=O)C)=O)ccc1)C)Br	620
+c1(c(c(N2C(c3ccc(cc3N(C2=O)C)F)=O)ccc1)C)Br	620
+c1cc2CCC(N(c2cc1F)C)=O	239
+C(OC)CN1CCC(N(C)c2cnc(Cl)nc12)=O	998
+c1c(OC)c(c(cc1-c2c(c(nc(n2)N)SC)C#N)OC)OC	8428
+c1(-c2nc(nc(SC)c2C#N)N)ccc3OCOc3c1	8429
+CC(C)(O)c1cccc(c1N)C	8430
+O(C)c1c(F)ccnc1N	542
+c1([N+]([O-])=O)ccc(c(NC)c1)O	2971
+N#Cc1nc(Cl)cc(NC)c1[N+](=O)[O-]	2971
+Nc1cc(cc(c1C(=O)OC)F)Br	272
+O(C(=O)CCCc1ccccc1N(C(c2cc(c(cc2)Cl)Br)=O)C)C	816
+COC(OC)c1nc(SC)ncc1	2970
+c1(C(=O)N(c2ccccc2OC)C)cc(c(cc1)Cl)Br	816
+c1(cc(ncc1)OC)-c2nnc(SC)n2C	4513
+CC(C)(C(OCC)=O)c1cc(Cl)c([N+]([O-])=O)cc1	2035
+O(Cc1cccc([N+]([O-])=O)c1)c2cc(c(cc2)C(=O)C)OC	65
+O(C)C1=CN=C(Cl)N(C1=O)C	8431
+COc1c(c(OC)c(OC)cc1)OC	65
+COc1cc2OCCC(c2cc1)=O	65
+O1CCOC12CCC(CC2)(OC)c3c(Cl)cccn3	76
+O1CCOC12CCC(=O)N(CC2)C	782
+c1c(ccc2nonc12)C(=O)N(C3CCCOC3)C	497
+c12c(cc(c(c1)O)C(=O)O)cc(cc2)C(=O)OC	272
+O=C1c2cccc(c2N(C)C(=O)N1c3c(C)c(ccc3)Br)C	620
+O=C1N(c2c(C)c(ccc2)Br)C(=O)N(C)c3c(Cl)cccc13	620
+O=C1N(c2c(C)c(ccc2)Br)C(=O)N(C)c3ccccc13	620
+COc1c(ccc(c1OC)C=O)[N+](=O)[O-]	65
+O=Cc1c(OC)c(ccc1)O	65
+O=Cc1cc(C)c(c2c1CCC2)OC	65
+c1c(c(C=O)cc([N+]([O-])=O)c1)OC	65
+O=Cc1c(OC)c(Br)cc(c1)Br	65
+c1c(c(cc(c1)-n2nncn2)C=O)OC	65
+O=Cc1ccc(C(=O)OC)s1	272
+O=Cc1c(OC)c2c(cc1)CCC2	65
+O=Cc1c(c(ccc1)OC)Cl	65
+O=Cc1cccc2ccn(C)c12	144
+O=S(=O)(N(c1c(ncc(c1)Br)NC)C)C	4514
+c1ccccc1COc2ccncc2N(S(=O)(=O)C)C	1214
+O=S(=O)(N(C)c1nc(cc(C(OC)=O)c1)N(CCC)C)C	4515
+O=S(=O)(N(c1cc(ccc1)Br)C)C	418
+O=S(=O)(C)N(C)c1c(cc2c(C(=O)NC)c(-c3c(F)cc(cc3)F)oc2c1)Br	418
+c1cc(ccc1-c2c(c3c(o2)cc(N(S(=O)(=O)C)C)c(c3)Br)C(=O)NC)C#N	418
+O=S(=O)(C)N(C)c1ncc(c(C)c1)Br	4515
+O=S(=O)(N(C1CCCOc2ccccc12)C)CC	693
+O=S(=O)(N(C1c2c(OCCC1)c(cc(Cl)c2)C)C)CC	693
+O=S(=O)(Cc1ccccc1-c2nnc(SC)o2)N	8432
+c1ccccc1N(C)S(=O)(=O)c2cc(N3C(=O)N(C)c4ccccc4C3=O)c(Cl)cc2	620
+O=S(=O)(N(C)C(CO)C(CC)C)c1ccc(cc1)Cl	693
+c1cc(ccc1Cl)S(=O)(=O)N(C)C(CO)C(=O)OC	8433
+O=S(=O)(C)N(C)c1cc(cnc1N)Br	1214
+O=S(=O)(c1sccc1)N(C)c2ccc(Cl)c3cc(C(OCC)=O)n(COC)c23	1214
+O=S(=O)(N(c1cc([N+](=O)[O-])c(F)cc1)C)c2sccc2	418
+O=S(=O)(N(c1ccccc1C#Cc2cccn3nc(nc23)Cl)C)C	418
+O=S(=O)(C)c1n(C)c2CCCCc2n1	2968
+O=S(=O)(N)c1ccc(c(C(OC)=O)c1)F	272
+c1c2c(ccc1)C(=O)N(C2=O)c3c(OC)cc(S(=O)(=O)N(C)C)cc3	65
+O=S(=O)(c1ccc(c(Cl)c1)Cl)n2c(c(C(C)C(OC)=O)c3cccnc23)C	8434
+O=S(=O)(N(C)c1cccc(c1)-c2nn3c(cc2)nc(c3)NC(C)=O)c4ccc(cc4)C	418
+O=S(=O)(c1ccc(cc1)Cl)N(Cc2ccc(cc2)C(=O)NC(C)COC)C3C(CCCC3)C	76
+c1cc(ccc1S(=O)(=O)N(C2Cc3c(CC2)c(CC(=O)OCC)n4c3cccc4)C)F	693
+O=S(=O)(c1ccccc1)N(c2cc3c(c(c(-c4ccc(cc4)F)o3)C(=O)OC)cc2Br)C	418
+O=S(=O)(N(C)c1ccc(c([N+](=O)[O-])c1)F)c2ccccc2	418
+O=S(=O)(N(c1c2c(ccc1)cc(C(=O)OCC)n2COC)C)c3sccc3	1214
+O=S(=O)(c1ccccn1)N(c2c3[nH]c(C(=O)OCC)cc3cc(OCCOC)c2)C	1214
+O(C)C(OC)C(CNC(=O)c1cc2c(c(N(C)S(=O)(=O)c3ccccn3)ccc2)n1COC)SCc4ccccc4	1214
+c1cc(ccc1S(=O)(=O)n2ccc3C(Br)=CN(C(=O)c23)C)C	4516
+O=S1(=O)Cc2c(cccc2)N1C	418
+O=S1(=O)N(C)CC2(CC(N(Cc3cccc(OC(C)C)c3)CC2)C)N1c4cccc(F)c4	693
+O=S1(=O)c2ccc(OC)cc2N(C(=O)N1c3ccc(cc3)Cl)C	620
+O=S(=O)(N(c1ccc2c(c1)S(=O)(=O)NC(=N2)C=3C(=O)N(C4C(C5CCC4C5)C=3O)Cc6cc(C)c(cc6)F)C)C	418
+N(=[N+]=[N-])CC(OC)Cn1c(Cl)nc(c1)[N+](=O)[O-]	76
+c1(cc(cc(Br)c1OC)F)[N+]([O-])=O	65
+c1(cc(C)cc(O)c1)OC	65
+c1(nc(c2c(n1)scc2)-c3c(cccc3)F)OC	8435
+C1=C(C=2C(=O)N(C(=NC=2c3cc(F)ccc3)N)C)C=CC(=O)N1C	8436
+C1(C(SC(SC)=N1)=Cc2cc3c(cc2)nc(o3)C)=O	4510
+C1c2c([nH]c3ccccc23)C(N(C(SC)=S)C1C(O)=O)CCC	8437
+n1[nH]c(nn1)C2Cc3c4ccccc4[nH]c3CN2C(=S)SC	8438
+c1([N+](=O)[O-])c(c(Cl)cc(c1C(=O)OC)Cl)OC	272
+[N+]([O-])(=O)c1cc(c(OC)cc1F)F	65
+c1c(cc2Cc3c4c(C)cc(C)cc4n(C)c3-c2c1)F	144
+n1n(C)cc(c1C(=O)N)[N+](=O)[O-]	1211
+c1c(C(=O)c2ccccc2Cl)cc(c(OC)c1Br)CC	65
+Cc1n(c(C#N)c(c1C(=O)C)C)C	819
+c1(C(=O)N2CC(OC)CC2)cc3nccc(Cl)c3s1	76
+c1(C(=O)c2cc(Cl)nc(n2)C)cc(C)c3c(OC(=O)N3C)c1	1743
+c1(C(=O)c2cc(Cl)ncn2)cc(C)c3c(OC(=O)N3C)c1	1743
+c1(C)c(n(C)nc1)C(=O)OC	1211
+C(CC(=O)O)C(OC)c1cc(C)c(F)cc1	76
+c1(C)cc(ccc1F)C(OC)CC(CC=C)C(=O)O	76
+c1(C=O)cc2c(cc1)n(cc2Cc3c(cc(cc3)C(=O)OC)OC)C	144
+c1(C=O)ccc(c(c1)CC=C)OC	65
+c1(CCl)occ(n1)COC	76
+O(C)Cc1occ(n1)C(=O)OC	76
+c1c(c(Cl)ncc1C(=O)OC)OC	542
+O(c1c(Cl)nccc1)C	542
+O(c1cc(Cl)cnc1Br)C	542
+c1n(c2c(c(Cl)nc(n2)Cl)n1)C	4115
+O(C)c1c(C(=O)C)cc(c(F)c1Br)Cl	65
+c1(cc(cc(F)c1C(C(OCC)=O)OC)OCC)F	8439
+O(C)c1c(I)c(C)c(Cl)cc1C(=O)C	65
+c1c(c(c(N)c(c1)C#N)C)OC	65
+c1(c2OCOc2ccc1Cl)N(C)c3nc(Cl)ncc3	1121
+CCC(c1ccc(c(F)c1OC)F)=O	65
+COc1c([N+]([O-])=O)c(ccc1)O	65
+NC1=NC(Cl)=CC(N1C)=O	8440
+c1([N+]([O-])=O)ccc2c(c1)n(cc2)C	144
+COc1cc([N+]([O-])=O)ccc1CC	65
+O(CCc1cc([N+]([O-])=O)ccc1Br)C	76
+c1([N+]([O-])=O)ccc2n(C)nc(c2c1)C#N	2158
+c12c(cc([N+]([O-])=O)cc1)N(C(=O)O2)C	1743
+n1n(C)c(cc1C(=O)OC)[N+](=O)[O-]	1211
+c1(c(c(C)ccc1)C(=O)OC)Br	272
+O=S(=O)(C)c1c(c(C(O)=O)c(F)cc1)F	8441
+c1(c(C2=NC(C(N(C)c3ccc([N+]([O-])=O)cc23)=O)C)cccc1)F	239
+O(C)c1c(c(F)c(Cl)cc1C(=O)C)I	65
+COc1c(c(F)ccc1[N+]([O-])=O)F	65
+c1(c(F)ccc(c1)C(=O)OC)[N+]([O-])=O	272
+c1(c(F)cccc1Cl)-c2nc3cc(C(C)C(OC)=O)ccc3o2	643
+c1([N+]([O-])=O)cccc(OC)c1N	65
+c1c(ccc2c(c(n(c12)C)-c3cnccc3)C#N)F	144
+Cn1nc(N)c(c1N)C#N	1211
+N1=NN(c2c(c(Br)ccc2)C)C(=O)N1C	2493
+c1(C(=O)OC)c(c(cnc1)F)Cl	272
+c1ncn(c1)CCC(=O)c2c(C)n(c3ccccc23)C	144
+COc1c(c(F)ccc1)F	65
+c1(c2c(nccc2Br)n(C)c1)C=O	2211
+c1ncc2C(N(C=C(Br)c2n1)C)=O	8442
+C(c1cn(c2ccc([N+]([O-])=O)cc12)C)c3c(cc(cc3)C(=O)OC)OC	144
+c1(cc(C=O)ccc1)-c2nnn(C)n2	1694
+c1(cc(C(=O)OC)c(cc1Br)[N+]([O-])=O)F	272
+c1(cc(Cl)c(OC)cc1F)[N+]([O-])=O	65
+C(=O)(c1cc(cc(Br)c1C)F)OC	272
+c1(C)cc(cc(C)c1C=2C(=O)CCC=2OC)Br	8443
+c1(cc(cc(C)c1N=C2N(C(N(C)C(=C2)c3ccc(O)c(OC)c3)=O)C)C)C	65
+C1C(CC1)N(C)C(c2cc(ccc2OC)Oc3c(cc(cc3Cl)COC)Cl)=O	497
+Fc1cc(cc(F)c1[N+](=O)[O-])OC	65
+c1(cc(cc(C(=O)OC)c1C)Br)[N+]([O-])=O	272
+c1(C)nc(-c2nc(ccc2)Br)cc(OC)c1	65
+c1(cc2N(C(=O)Oc2cc1Br)C)F	1743
+c1(cc2c(n(cc2)C)cc1Br)F	144
+c1cc(Br)nc(C(=O)OC)c1OC	542
+Clc1cc(OC)c(cc1)[N+]([O-])=O	65
+c1(cc(NC(C)=O)ccc1[N+]([O-])=O)OC	65
+c1(c(c(c(F)cc1)F)C(=O)OC)Br	272
+c1c(c(cc(c1)C(=O)OC)C#N)OC	65
+c1(ccc2Cc3c(-c2c1)n(C)c4ccccc34)OC	144
+c1(cccc(C#N)c1)-n2nc(nn2)C3N(C(SC)=NC)CCC3	1956
+c1(cccc(c1)CCC=2N=C(N)N(C(=O)C=2)C)Br	8444
+c1cc2ccccc2c3c1N(C(=O)CC(=O)N3C)c4cc(ccc4)C#N	239
+c1(cccnc1Br)COC	76
+C=1N(C(C(=CC=1)C(=O)OC)=O)C	8445
+c12c(ncc(Br)c1n(cc2)C)Br	144
+O(C(CCCCCCn1ccc(n1)-c2c(cccc2)OC)=O)CC	65
+c1cc2C(N(C)N=Nc2s1)=O	8446
+c12OC(=O)C3=C(C(C(C(=O)OCC)=CN3C)=O)c1cccc2	8447
+Cc1cn(c2C(CCNC(=O)c12)=O)C	819
+Cn1cc(C)c2c1cccc2	144
+O(C)C(c1c2ccccc2n(C)c1)=O	144
+CC1(C(=O)OC)CCOc2c1cc(c(F)c2)C#N	2035
+C1(=C(C(N(C)c2c1cccn2)=O)C(=O)C)O	8448
+c1(c2c(cccn2)n(C)c1)C=O	8449
+c12c(cc(cc1C(OC)=O)CCOC)cccc2	76
+C1c2c(CC1(c3cn(Cc4ccccc4)cn3)COC)cccc2	76
+c1c2cc(C)c(cc2ccc1)C(C#N)C	4517
+CN(c1c(CC)cc(-c2cccs2)nc1)c3ncc4c(c3)n(cn4)C	8450
+CN1C(=O)c2c(Cl)nc(cc2N=C1)Cl	8451
+C(C)OC(C=1C(c2c(ccc(C(=O)c3c(c(OC)c4ccccn34)C)c2)N(C)C=1)=O)=O	8452
+c1cc2ccccc2c(OC)c1Br	65
+COc1cccc2ccc(C)nc12	542
+c12cccc(OC)c1ccc(N)c2	65
+c12ccccc1-c3c(cccc3)C2COC(NC(CO)(C(OC)=O)C)=O	325
+c12nc(C)ccc1C(=O)N(C)c3ccccc3N2	816
+c1[nH]c2c(c1CC(OC)=O)cc(OC)cc2	325
+c1c(Br)cc2CN(C(c2c1)=O)C	497
+c1c(C)c(C(=O)OC)c(Cl)nc1Cl	272
+c1c(C)c(c(cc1)C)COc2cccc(c2)C(C(=O)OCC)C	643
+c1(C)cc(cc(C)c1C#N)C(C(c2c(cc(OC)cc2)Cl)C)=O	1566
+c1c(C)c(c(cc1COC)C)Oc2nc(cc(NC(CC)CC)c2C)C	76
+c1(OC)cc(F)cc(c1)CC(OC)=O	65
+c1c(c(Br)c(C)cc1)CCOC	76
+c1c(CO)c2N(CCCc2cc1)C	891
+c1(F)cccc(F)c1Cc2cc(OC)c(OC)c(c2)Br	65
+c1c(I)cc(c(NC2=CC(=O)N(C)C=C2[N+]([O-])=O)c1)F	8453
+c1(cccc(NC)n1)N	4514
+c1c(O)c(C2=NN(C)C(=O)O2)ccc1	8454
+c1(OC)cc(cc(O)c1)C(=O)C	65
+c1c(OC)c(Br)cc(-c2n(c(cc2C)C(=O)OC)C)c1	819
+CC(C)(C(=O)OC)C(=O)c1c2c(c(OC)cc1)nc(CC)cc2	8455
+COc1cc(cc(OC)c1)C(c2ccc3ccn(C)c3c2)=O	144
+c1c(OC)ccc([N+]([O-])=O)c1F	65
+c1c(c(c2cc(C)n(c2c1)C)F)OC	144
+c1c(F)c(ccc1OC)C#N	65
+c1c(Br)c(OC)c(cc1C(=O)OC)F	65
+c1c(F)c(c(cc1F)OC)[N+]([O-])=O	65
+c1c(c(C)cc(OC)c1F)Br	65
+c1(c([N+]([O-])=O)cc(CC)c(F)c1)OC	65
+C(OC)C1Oc2c(cc(C)cc2C1)[N+]([O-])=O	76
+c1c(cc(C)c(C(=O)OC)c1)Br	272
+c1cc(c(cc1I)C=O)OC	65
+c1(ccc(I)c(c1C)Cl)Br	1297
+c1c(cc(Cl)c(c1)C(C)C(c2c(F)cc3OCC(N(c3c2)C)=O)=O)Br	1566
+c1c(cc(Cl)c(c1)C(C)C(c2cc3N(C(COc3cc2)=O)C)=O)Br	1566
+N1(C(=O)N(c2ccc(cc2F)Br)C=N1)C	2668
+c1c(cc(SC)c(Cl)c1)Br	2210
+c1c(cc(c(F)c1)OC)Br	65
+c1c(cc(c(Nc2c(c3c(cc2C(=O)OC)n(cn3)C)Cl)c1)Cl)Br	1652
+c1c(cc2N(C(COc2c1)=O)C)Br	239
+c1c(cc2C3(CN(C)CC3)CN(c2c1)C(Nc4ncc(Cl)s4)=O)Br	1022
+c1c(cc2n(c3CCCC(=O)c3c2c1)C)Br	144
+c1cc2n(c3c(C(NCC3)=O)c2cc1F)C	144
+Clc1cc(N(C)C=O)ccc1F	816
+COc1cccc(SC)c1	2210
+c1cc(OC)cc2CCC(Nc12)=O	65
+c1c(ccc2nc(SC)sc12)O	8456
+c1cnc(nc1-c2cn(C)c3ccccc23)Cl	144
+C1c2ccccc2N(C)C(=O)C1	239
+c12CCOC(N(C)c1cccc2)=O	1743
+c12c(cccc1Cl)N(C(C2=O)=O)C	3567
+c1c2ccc(nc2c(c(c1)F)C)OC	766
+c12N(C)CCCc1cccc2	891
+n1(c(SC)nnc1-c2ccc3ccccc3c2)C	4513
+C=1c2c(cccc2)N(C)C(=O)C=1C(=O)OCC	8457
+c12c(ccc(c1F)Br)ccn2C	144
+c1cc(CNc2nc(nc(c2C(=O)OC)Cl)Cl)cc(Cl)c1OC	272
+c1c(cc(Br)c(c1OC)OC)C2c3c(OC(=C2C#N)N)c4cccc(OC)c4cc3	65
+COc1ccc2N(C(CC(CC(OC)=O)c2c1)=O)C	239
+c1cccc2sc3c(OC)cccc3c12	8458
+c1c(OC)c(ccc1C(=O)OC)C#N	65
+c1cc(ccc1)-c2c(c3c(ccc(c3)Br)n2C)C	144
+c1cc(ccc1)-c2c(c3ccccc3n2C)C(C)=O	144
+c1cc(ccc1)-c2cc(c(OC)cc2)I	65
+c1cc(ccc1)-c2noc(c2-c3oc(nn3)-c4cc5ccn(C)c5cc4)C	144
+c1ccccc1C(N(CC(CCOC2OCCCC2)c3cc(Cl)c(Cl)cc3)C)=O	497
+C1CCCC1C(c2ccccc2)(C)C(=O)OC	2035
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)NC(COc4c5c(ccc(c5)Cl)on4)COC	76
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC4CC(CCC4NC(=O)OCc5ccccc5)OC	76
+c1cc(ccc1)COCC2CC2(CN(C)S(=O)(=O)c3ccccc3)c4ccccc4	693
+c1ccccc1C2CCc3c(-c4c(C)onc4C)ccc5N(C(=O)N2c35)C	620
+c1cc(ccc1)CC2N(Cc3c(C(=O)N(C2)C)cccc3)S(=O)(=O)c4ccccc4OC	497
+c1ccccc1CN(Cc2ccccc2)CC(OC)CN3CCN(CC3)C(=O)OC(C)(C)C	76
+c1cc(ccc1)COC(=O)N2CC(COC)(CC2)F	76
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3nc(OC4CC(C=C4)OC)c5ccccc5n3	4237
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(OC)=O	325
+c1ccccc1COCC(OC)COCCCCCCCCCCCCC2CCCCC2	76
+c1cc(ccc1)COCC(F)(F)CCCOC	76
+c1cc(ccc1)COc2nc(cc(OC)c2C(=O)OCC)C	65
+c1cc(ccc1)COc2cc3c(c(c2)Cl)cc(C(=O)OCC)n3C	144
+c1cc(ccc1)N=C2NC=CC(=O)N2C	8459
+c1ccccc1S(=O)(=O)n2c(cc3c2nccc3Br)C	4518
+c1cc(ccc1)S(c2c3c(cccc3)n(c2)C)=O	144
+c1cc(ccc1-c2n(C)c3c(c2CCC(=O)O)cc(cc3)Cl)Cl	144
+c1ccccc1-c2ccc(cc2)-c3c(F)cc4nc([nH]c4c3)SC	8460
+c1cnccc1-c2c(n(C)c(Br)c2-c3ccc(cc3)F)C(=O)OC	819
+c1cc(ccc1OC)-c2nc(SC)nnc2-c3ccc(cc3)OC	2970
+c1cc(ccc1-c2c(cc(cc2)N3C(N(CC3)C)=O)C)C(OC)=O	2972
+c1cc(ccc1C(=O)N(OC)C)-c2nnn(C)n2	1694
+c1cc(ccc1-c2c(c3c(cc(N(S(=O)(=O)C)C)c(c3)Br)o2)C(=O)NC)F	418
+c1cc(ccc1-n2ncc3cc(I)ccc23)C(OC)=O	272
+c1cc(ccc1-c2c(cn(C)c2C(OCC)=O)C#N)Br	819
+c1cc(ccc1Br)C(C)C#N	4517
+c1cc(ccc1Br)CC(c2ncc(CC(C)(C)CC)n2C)N(C)C(=O)OCc3ccccc3	4239
+c1cc(ccc1C(c2cc3c(cc2)N(C)C(C=C3c4cccc(OC)c4)=O)=O)Cl	4509
+c1cc(ccc1C(=O)N(CC2CC2)C)-c3cc(ccc3C)-c4nnc(C)o4	497
+c1cc(ccc1N(C)CCOC)C(OCC)=O	76
+c1cc(ccc1C(c2cc(C)c(c(C)c2)OC)=O)[N+](=O)[O-]	65
+c1cc(ccc1C)C2=C(C(CCC)C(OC)=O)C(N(C)C(N3CCCCC3)=N2)=O	8461
+O1CCOC12CCC(CC2)(OC)c3ccc(cc3)F	76
+c1cc(ccc1NC(Nc2ccccc2Oc3n(-c4ccccc4Cl)nc(c3)C)=O)C5CCN(CC5)C	1022
+c1cc(ccc1Cl)C2CN(C(=O)c3sc(Br)cc23)C	497
+c1cc(ccc1[N+](=O)[O-])-c2[nH]c(SC)nc2	8462
+c1cc(ccc1)CC2COC(=O)N2C(=O)C(c3ccc(cc3)OC)C	2528
+c1cc(ccc1CC(OC)=O)-c2nccnc2Cl	325
+c1cc(ccc1Cl)Nc2ncnc3cc(OC)c(c(CC=C)c23)OC	65
+c1cc(ccc1F)-c2ccc(cc2)C(N(C)C3CCc4cc(ccc4C3)C#N)=O	497
+c1cc(ccc1Cl)N(C(c2c(-c3ccc(cc3)F)nc4ncccn24)=O)C	816
+c1cc(ccc1F)-c2c(c3c4CC(C)Oc4c(cc3o2)N(S(=O)(=O)C)C)C(NC)=O	418
+c1cc(ccc1F)C(=O)C2CCN(CC2)c3ccc(nn3)C(N(C)CCC4CC4)=O	497
+c1cc(ccc1F)Cc2ccccc2OC	65
+c1cc(ccc1F)S(=O)(=O)N2CCN(CC2C(=O)OCC)C	1022
+C1CN(CCC1(OC)CC2CCCCC2)c3ccc(cc3)C(=O)OCC	76
+c1cc(ccc1N(CC#N)C)F	891
+c1cc(ccc1OC)-c2ccc3c(ccc(OC)c3C)c2	8463
+c1cc(ccc1CN2C(=O)C(N(C2=O)C)CC(OC)=O)OC	1949
+c1cc(ccc1Br)OCC(OC)CN(C)C	76
+c1cc(ccc1-n2c3ccccc3cc2CCOC)OCc4ccccc4	76
+c1cc(ccc1Oc2cc(C(=O)OC)cc(OC3C(=O)N(C)CC3)c2)-c4oc(C)nn4	782
+c1cc(ccc1OC)S(=O)(=O)N(c2c(C(OC)=O)cccc2C)C	418
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(C)c5cc(OCc6ccccc6)c(OC)cc45)C	144
+c1cc(ccc1[N+]([O-])=O)C(COC)CC	76
+c1cc(ccc1N2CCCN(C2=O)C)[N+]([O-])=O	2972
+c1c(Br)cc2CCC(N(c2c1)C)=O	239
+c1c(Br)cc2CC(C)N(C)c2c1	891
+S(C=1N(C(=O)c2c(ccc(c2)Br)N=1)C)C	8464
+N1(C)C(=O)c2n(c(cc2Nc3ccccc13)C)C	816
+c1cc2cnc(CCCOC)n2cc1Br	76
+O=C1c2ccccc2C(=O)N1c3n(nc(-c4ccccc4)c3)C	1211
+c1cc2c(-c3c(cccc3)C2(COC)CO)cc1	76
+c1c2c(ccc1)c3c(cccc3)n2C	8465
+c1(C=2C(=O)N(C)C(C=2Br)=O)cn(C)c3ccccc13	144
+c1ccccc1-c2c(c3c(Br)cccc3n2C)C	144
+c1ccccc1-c2c3c(N=C(N(C)C3=O)SC)oc2Br	8466
+c1ccccc1-c2ccc(cc2)-c3cc(cc4ccn(C)c34)[N+](=O)[O-]	144
+c1ccccc1C(=O)c2c(N)c(ccc2)CC(OC)=O	325
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(OC)CSCCCCCCCCCCCCCCCC	76
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(OC)COCc4ccccc4	76
+c1ccccc1C(OC)c2cc(SC)ncn2	76
+c1cc(ccc1)-c2nc(SC)sc2C	8467
+c1ccccc1C=Cc2cc(ccn2)-c3[nH]c4c(c(nc(SC)n4)O)c3	8468
+c1ccccc1COC(=O)NC(Cc2ccccc2)C(=O)OC	325
+c1cc(ccc1)C(C)C(OCC)=O	643
+c1ccccc1CN(C2CC3C(CN(C)C(=O)C3)C2)C	782
+c1ccccc1CN(Cc2ccccc2)CC3CCN(CC3)CC(C)(C)OC	76
+c1ccccc1CN(Cc2ccccc2)c3c(COC)c([N+](=O)[O-])ccc3	76
+c1cc(ccc1)CN(C)CC2CNC(=O)c3c4c(ccc3)[nH]cc24	1022
+c1ccccc1COC(=O)N2CCC34CCCCC3C2Cc5c4cc(c(I)c5)OC	65
+c1ccccc1COC(N2CCC34c5cc(OC)c(cc5CC2C3CCCC4)[N+]([O-])=O)=O	65
+c1ccccc1COC(NC(C(OCC)=O)CCC(NC(Cc2c[nH]c3c2cccc3)C(=O)OC)=O)=O	325
+c1ccccc1COC(NC(Cn2c3cc(OC)ccc3cn2)C)=O	65
+c1ccccc1COC(=O)Nc2cc(I)cnc2OC	766
+c1ccccc1COc2ccc(nc2C(OC)=O)OC	766
+c1ccccc1COC2=CC(=CN(C2=O)C)Br	8469
+c1cc(ccc1)COc2cc(C(=O)OC)cc(OC)c2Br	65
+c1ccccc1COc2cc(c3c(Oc4c(cccc4)C3=O)c2)OC	65
+c1ccccc1COc2cc(C(OC)=O)c(OC)cc2	65
+c1ccccc1COc2c(OC)c(cc(F)c2)CO	65
+c1ccccc1COc2cccc(C3(CCOC(C3)C)OC)c2	76
+c1ccccc1COc2ccc3c(n(cc3C(C(OC)=O)=O)C)c2	144
+c1ccccc1COc2ccc(C#N)c(OC)c2	65
+c1ccccc1COc2cc3ccn(C)c3cc2	144
+c1ccccc1COc2nc(C)cc(C)c2CN3CCc4c(cc(C(OC)CC)c(Cl)c4C3=O)Cl	76
+c1cc(ccc1)Cc2c(OC)ccc(Br)c2	65
+c1ccccc1Cn2c3c(C(=CN(C3=O)C)Br)cc2C(=O)OCC	4516
+c1ccccc1Oc2cccc3c(OC)c(nc(c23)Br)C(=O)OC	542
+O=S(=O)(c1ccccc1)n2c(C)cc3c2ncc(c3)OC	4518
+c1nc(Cl)nn1-c2ccc([N+]([O-])=O)cc2OC	65
+c1nc(ncc1)N(C)c2ccc(cc2)I	8470
+c1nc(ncc1Br)COC	76
+c1nc(ncc1COC)Cl	76
+n1(ncc2c1cncc2Br)CCOC	76
+n1c(c(ccc1OC)N(C(=O)c2cccnc2Cl)C)Br	8471
+c1c(c(nc(C)c1)Br)OC	542
+c1c(c(nc(c1)CO)Br)OC	542
+n1c(OC)ccc(c1)C=2C(=O)N(C(=NC=2c3cc(F)ccc3)N)C	8472
+c1c2ncccc2ccc1OC	65
+c1n(C)cc(n1)[N+](=O)[O-]	2968
+c1cc(cc(OC)c1F)C#Cc2cc(C#N)cnc2	65
+n1cc(OC)ccc1F	542
+c1ncncc1N(C)c2cc(cc(Cl)c2)Br	8473
+c1nc(ncc1Cc2cnc(SC)nc2O)C	4519
+c1nc(ncc1Cc2cnc(SC)nc2O)OC	4519
+o1c(-c2csc(c2)Cl)cc(C3N(C(SC)=NC)C4CC4C3)n1	1956
+o1c2c(C(N(C=C2Br)C)=O)cc1C=O	8474
+o1c2cccc(OC)c2c(C)c1C(=O)OCC	65
+c12c(c(C(=O)C)c[nH]1)ccc3OCCc23	8475
+c1cc(ccc1C#N)-c2scc(-c3ccccc3)n2	8476
+c1cc(ccc1)CC(CN(C)C)N	15
+FC(F)(F)c1cc(ccc1CN2CCC(CC2)C=C3SC(N=C3NC(C(=O)N(C)C)CO)=O)C(F)(F)F	8477
+CN(C)C(C(CO)N)=O	334
+CN(C)CC1(CCCCC1)c2cc(c(Cl)cc2)Cl	15
+CN(C)C(C1C(=O)Nc2cc(N)ccc2C1)=O	890
+CN(C)C(C=1C2N(C(=O)N(C(COC)C=1)C2)OCC=C)=O	4236
+CN(C)CCCc1cc(c[nH]1)CCCC	15
+CN(C)C(=O)COc1ccc2c(n(nc2)-c3c4CS(=O)Cc4nc(n3)-c5sc(cc5)Cl)c1	441
+CN(C)C(=O)COc1ccc2c(n(-c3nc(-c4sc(cc4)Cl)nc5c3CSC5)nc2)c1	2973
+CN(C)C(=O)Cn1ncc2cc(ccc12)Oc3ccc(cc3CN)F	107
+CN(C)C(N1c2c(c(Nc3ncc(C#N)s3)ncc2)CC1)=O	1178
+CN(C)Cc1cccc(c1)NS(=O)(=O)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3	162
+c1cc(ccc1O)-c2cc(C(N(C)C)=O)cc(C#CCCCCCc3c(c(OCCCC(=O)O)ccc3)CCC(O)=O)c2	11
+CN(C)Cc1cc(N)ccc1Br	162
+CN(C)C(=O)c1oc2c(c1)cccc2N3CCNCC3	25
+CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3c(s2)-c4c(cc(cc4)C(O)=O)OCC3)c(Cl)c1	1
+CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3CCOc4cc(C(OC)=O)ccc4-c3s2)c(Cl)c1	833
+CN(C)C(c1cnc(cc1)N)=O	1341
+CN(C)C(c1c2c(n(-c3nc(N)ncc3)n1)cc(cc2)Br)=O	2973
+C1CN(CCN1c2cccc3c2oc(c3)C(N(C)C)=O)CCc4nc(ccc4)OC	236
+CN(C)C(C(Oc1c2c(ccc1)ncnc2Nc3ccc4n(Cc5ncccc5)ncc4c3)C)=O	2212
+CN(C)C(=O)C(N=C1NC(SC1)=O)CO	8478
+c1cc(ccc1NC(=O)C)C(C(CC)N(C)C)O	74
+CN(C)C(CN)(C)CCCC	51
+CN(C)C(C1Cc2c(NC1)cc(cc2)N)=O	8479
+CN(C)CC1Cc2ccccc2NC1	8480
+c1cc(ccc1C2C(C2)CN(C)C)Br	15
+CN(C)CC1Cc2c(cc(cc2)N)NC1	15
+c1cc(ccc1Cl)-c2n(c(C(=O)CC)cc2C)CC	8481
+CN(C)C(=O)Cn1ncc2c1ccc(Oc3c(cc(cc3)F)C#N)c2	8482
+c1(nc(nc(C)c1C(NC(CNC(c2cccs2)=O)C(OCC(N(C)C)=O)=O)=O)NCCCc3cccc4c3cn[nH]4)C	3350
+CN(C)C(C)(CCCC)CNC(=O)c1ccc(c(Cl)c1)Cl	93
+C1CN(CCN1CC(N(C)C)=O)c2cc(OC)c(Nc3ncc(c(-c4c5n(nc4)cccc5)n3)Cl)cc2[N+](=O)[O-]	34
+CN(C)C(CN1CCc2cc(N)ccc2CC1)=O	0
+CN(C)C(CN1CCc2ccc(cc2CC1)Nc3ncc(c(Nc4c(F)cccc4C(=O)NCC)n3)Cl)=O	55
+c1cc(ccc1F)CN(C(=O)CC(C(=O)OC)=O)OCC(=O)N(C)C	2935
+O=S(=O)(C)c1cn(c2nc(-c3cc(c(cc3)OC)F)nc(C)c12)-c4cccc(OCC(=O)N(C)C)c4	4520
+CN(C)C(COc1ccc2CCN(c3c4c(CS(=O)C4)nc(-c5cccnc5)n3)c2c1)=O	4521
+ClC(Cl)(Cl)c1nc(OC(N(C)C)=O)cc(CCl)n1	8483
+CN(C)C(=O)NC1Cc2c(n(Cc3nc(F)ccc3)c4ccc(cc24)C#N)C1	2675
+c1cc(ccc1Br)N2CCC(CC2)OC(=O)N(C)C	2469
+CN(C)C(N(CCO)CCCc1ccc(cc1)C#N)=O	776
+c12c(cccc1)C(=O)N(C2=O)CCCCc3ccc(cc3)OC(=S)N(C)C	8484
+c1c(F)c(c(cc1OCC)F)Cn2c3CCCc3c(-c4nc(c(OC)cn4)N)n2	8485
+C1CC1c2n(nc(c2C)-c3nc(c(OC)cn3)N(C)C)Cc4ccc(cc4)OC	8486
+CN(C)C=CC(=O)c1c(C)n(c(C#N)c1C)C	8487
+c1ccccc1CN2CC3CC(C(=CN(C)C)C3=O)C2	8488
+c1cc(ccc1C(=O)N2CCC(C(c3c2cccc3)=O)=CN(C)C)[N+]([O-])=O	4522
+CN(C)C=C(COC)C(=O)c1c[nH]c(C(=O)NC(CO)c2ccccc2)c1	4522
+CN(C)C(N(CC=O)CCCc1ccc(cc1)C#N)=O	24
+c1cc(ccc1-c2nc(sc2)N(C)C)[N+](=O)[O-]	354
+CN(C)C(=O)N1c2ccnc(N)c2CC1	2664
+CN(C)C=CC(=O)c1ccnc(Cl)c1	8489
+CN(C)C=Nc1c(C#N)c(Nc2cc(ccc2)C)n[nH]1	8490
+CN(C)C(c1c(nc2n(C(C)C)nc(c2c1NC3CCOCC3)C)-c4cccc(OCC5OC5)c4)=O	72
+CN(C)C(c1c(-c2cccc(OCC(CNC)O)c2)nc3n(C(C)C)nc(c3c1NC4CCOCC4)C)=O	122
+C[Si](C)(C)C#Cc1cc2c(cc1)c(C(N(C)C)=O)nn2-c3ccnc(N)n3	8491
+CN(C)C(=O)c1cc(cc(c1)C#CCCCCCc2c(c(OCCCC(=O)O)ccc2)CCC(O)=O)Br	121
+CN(C)C(=O)c1ccc(N=[N+]=[N-])nc1	8492
+C[Si](C)(C)CCOCn1cc(-c2ccncc2)c3c1nc(nc3NC4CCOCC4)Nc5c(C)cc(cc5)C(=O)N(C)C	55
+n1cccnc1C(O)(C#Cc2ccc3c(C(N(C)C)=O)nn(-c4ccnc(N)n4)c3c2)C	8493
+CN(C)C(c1oc2c(F)c(c(c(C#N)c2n1)C)-c3nc(sc3)C)=O	963
+CN(C)C(c1oc2c(N3CCC(N(C)C)C3)c(-c4nc(C)sc4)c(C)c(C#N)c2n1)=O	8494
+CN(C)C1(CN(CC1)c2ccc(cc2F)N3C=Cc4cc(OCC5OCCC5)ccc4C3=O)C	79
+C1CC(CCC1CC(OCC)=O)(N(C)C)c2cccnc2	774
+c1(C)cc(cc(C)c1S(=O)(=O)N(CCOCC(N(CCC2CCC(CC2)(N(C)C)c3cnccc3)C)=O)C)OC	10
+CN(C)C1(CCNCC1)c2cccnc2	25
+CN(C)C1CCNCC1C	215
+CN(C)C1CNC(C(N)=O)C1	327
+CN(C)C1CCC(c2cc(F)cc(N)c2)=CC1	1599
+CN(C)C1CCN(C1)C(=O)Nc2nccc(Oc3cnc(cc3)N)c2	161
+CN(C)C1CCN(CC1)C(CCc2n(CC(O)=O)ccn2)=O	3
+CN(C)C1CN(CC1)c2c(cc(cn2)N3C(=O)C=C(OCc4ccc(cn4)Cl)C=C3)C	3868
+CN(C)C1CCN(CC1)C(c2ccc(cc2)-c3nc(C(=O)Nc4ccccc4)c(nc3)N)=O	30
+c1cc(ccc1Nc2nc3-n4c(N(C(=O)c3cn2)c5c(cccc5Cl)Cl)ncc4)C(=O)N6CCC(CC6)N(C)C	30
+CN(C)C1CCN(CC1)C(CCc2nccn2CC(OCC)=O)=O	10
+CN(C)C1CCN(C1)C(=O)Nc2nccc(Oc3cnc([N+](=O)[O-])cc3)c2	2077
+CN(C)C1CN(C(c2c([nH]c(C)c2)C=C3c4c(cccc4NC3=O)-c5cccc(Cl)c5)=O)CC1	292
+CN(C)C1CCN(c2cc(OC)c(cc2N)Nc3nc(ccn3)-c4c5n(nc4)cccc5)C1	0
+CN(C)C1CCN(c2cc(c(Nc3nccc(-c4c5ccccc5n(c4)C)n3)cc2N)OC)C1	0
+FC(F)(F)c1c(CN2CC(N(C)C)CC2)ccc(C(=O)OC)c1	131
+CN(C)C1CN(CC1)C(=O)c2c(C=O)[nH]c(C)c2	211
+CN(C)C1CN(CC1)CCc2oc3ccc(cc3c2)-c4n5c(ccn5)nc6c4CCC6	123
+CN(C)C1CN(c2c([N+](=O)[O-])cc(c(OC)c2)Nc3nccc(-c4c5ccccc5n(c4)C)n3)CC1	34
+CN(C)C1CCN(c2cccc(Br)c2)C1	560
+CN(C)C1CCN(Cc2ccc(cc2)-c3sc4c(nccc4Oc5ccc([N+]([O-])=O)cc5F)c3)C1	171
+CN(C)C1CCN(C(c2c3ncc(-c4ccc(cc4)NS(=O)(=O)c5cccc(c5Cl)Cl)c(n3nc2)N)=O)C1	2778
+c1cc(ccc1OCCCN2CCC(N(C)C)C2)-c3ccc(cc3C)C#N	53
+CN(C)C1CN(CC1)c2cc(c(Nc3nccc(-c4c5n(nc4)cccc5)n3)cc2[N+]([O-])=O)OC	34
+c1cc(ccc1CC2=C(CCC)N=C(N(C)C)N(c3ccc4OC(C)(C)Cc4c3)C2=O)-c5c(C6=NOC(=O)N6)cccc5	1671
+c1cc(ccc1Nc2nc(-c3ccccc3)c(cn2)C#N)OCCO	8495
+C1COCCN1S(=O)(=O)c2cc(ccc2C)Nc3nc(-c4c(C)nc(s4)NC)c(cn3)C#N	8496
+c1ccccc1-n2c(c(cn2)C(=O)OC)CC	8497
+c1(c(CC)nc(O)c(c1)C#N)C(=O)OCC	2908
+n1cc(cnc1)-n2c(c(cn2)C(=O)OCC)CC	8498
+c1ccccc1CNC(c2ccc(N3C(=O)C(C=N3)c4ccc(C#N)cc4OC)nc2)=O	2372
+Cc1c(cc(C#N)c(O)n1)C(=O)OCC	2908
+c1ccccc1-c2ncc(c(-c3c(Cl)cccc3)n2)C(OCC)=O	8499
+n1cc(-c2ccccc2OC)c[nH]1	8500
+c1ccccc1Nc2ncc(c(-c3c[nH]c(C(NC(c4ccccc4)CO)=O)c3)n2)COC	8501
+c1cc(ccc1-c2cc(c(O)nc2-c3ccccc3Cl)C#N)Cl	2213
+Cc1c(-c2cn3c(ncc3)cc2)cc(C#N)c(O)n1	8502
+N1(c2cc(ncn2)N3CCOCCC3)C(C(n4cc(C#N)nn4)=CN1)=O	4050
+c1c2C(CCCc2n(C)n1)=O	3481
+n1c(sc2ccccc12)N3N=C(c4cc(I)ccc4)C(=CN)C3=O	2876
+N#Cc1cc-2c(nc1O)CCc3ccccc-23	8503
+n1c(sc2ccccc12)N3N=C(c4ccc(C)c(Br)c4)C(=CN)C3=O	8504
+n1c(Nc2cccc(c2)CCO)ncc3CC(c4ccccc4-c13)c5ccccc5F	8505
+n1c-2c(CCCc3[nH]cc(C(=O)OCC)c-23)cnc1	8506
+CN(C)c1ccc(cc1[N+](=O)[O-])Nc2nccc(n2)-c3c(n(C)c(C#N)c3C)C	8507
+CC(C)n1cc(-c2nc(N)ncc2)c(I)n1	2620
+c1(-c2cc(C)ccc2)ccnn1-c3nccc(C#N)c3	2974
+c1(-c2ccnc3n2ncc3C(=O)c4sccc4)cc(ccc1)C(=O)OC	2214
+c1cc(ccc1-c2ccnc(N)n2)C(NCc3cc(ccc3)OC)=O	4523
+c1cc(ccc1C(OC)=O)-c2cc[nH]n2	927
+c1([nH]ncc1)-c2cc(ccc2)C#N	927
+c1(-c2ccnc3n2ncc3C(=O)c4sccc4)cc([N+]([O-])=O)ccc1	2214
+c1(cccc(c1)C(=O)OCC)Nc2nc(ccn2)-c3ccnc(c3)Cl	4524
+c1(c2cc(C#N)ccc2ncc1)-c3[nH]ncc3	927
+FC(F)(F)c1cccc(c1)Nc2nccc(n2)-c3ccncc3	4524
+c1ncncc1-c2nc(ncc2)Nc3c(C)ccc([N+](=O)[O-])c3	8508
+c1c(cc2c(c(sc2c1)-c3ccnc(n3)N)C)Br	8509
+c1(n[nH]cc1)-c2cc(Br)cs2	8510
+FC(F)Oc1c(cccc1)N2N=C(c3ccnn3-c4ccccc4)C(=O)C(OC)=C2	4525
+Clc1cc2c(c(sc2cc1)-c3ccnc(n3)N)CC	8511
+c1cc(-c2oncc2)c3c(C4=CC(NCC(=O)N4CC3)=O)c1	8512
+c1([nH]ncc1)-c2ccc(Cl)c(c2)CNC(C)=O	927
+n1ccc(-c2cnccc2)nc1Nc3cc([N+]([O-])=O)c(C)cc3	8513
+C1(c2c(NC(=O)N1)cc[nH]2)=O	8514
+O(c1c2c(cc[nH]2)c(Br)cn1)C	2215
+c12cc[nH]c1cncc2Br	2215
+c12[nH]ccc1cc(NC(=O)C)nc2	2215
+c1(-c2cc(ccc2)Br)[nH]cnn1	8515
+CN(C)C=NC1=NC(C=CN(C)C)=C([N+]([O-])=O)C(=O)N1Cc2ccccc2	3557
+CN(C)C=NS(=O)(=O)c1cc(C(=O)c2c(Cl)c(Cl)c(c(CC=C)c2)O)ccc1Cl	423
+CN(C)C=NS(=O)(=O)c1c(Cl)ccc(C(c2cc3c(OC(CO)C3)c(Cl)c2Cl)=O)c1	2730
+CN(C)C=Nc1c(c(-c2ccc(cc2)N)[nH]n1)C#N	0
+c1cc(ccc1)CNc2c3c(Nc4cccc(C)c4)[nH]nc3ncn2	8516
+c1(cc(ccc1)Nc2c3cc([N+]([O-])=O)ccc3ncn2)Br	4527
+c1ccccc1CNC(=O)c2ccc(c(c2)Nc3c4c(nc(C)cc4)ncn3)Sc5ccc(cc5)O	8517
+c1c(c(cc(OC)c1Br)Nc2ncnc3cc(c(cc23)OC)OCCOC)OC	4527
+CN(C)Cc1nc2ccc(cc2cc1)N3C(=O)c4c(cc(-c5ccc(cc5)Cl)s4)N=C3	3949
+CN(C)C=NC1=NC(C)=C([N+]([O-])=O)C(N1Cc2ccccc2)=O	8518
+c1cc(ccc1NC(=O)C)Sc2ccc(C)cc2Nc3ncnc4c3sc(n4)SC	8519
+CN(C)CC1CC1c2cc3[nH]cc(C=O)c3cc2	287
+CN(C)CCCc1c2CCCCc2[nH]c1C=O	413
+CN(C)CCN1CCc2[nH]c(c(C)c2C1=O)C=O	413
+CN(C)S(=O)(=O)n1c(C=O)nc2CCCCc12	1378
+CN(C)c1c(cccc1C)C=O	146
+Clc1ccc2c(Sc3cc(ccc3)C(=O)OC)c([nH]c2c1)C	833
+C(c1c(OC)cc(C(=O)OC)c(c1)F)CC	2975
+c1cc(ccc1)-c2oc(nc2-c3ccccc3)C=4C(Cc5cc(C(OC)=O)ccc5)CCC=4	2975
+C1CN(CCC1)CCOc2ccc(cc2)C3c4c5ccc(OC)cc5ccc4-c6ccc(C(OC)=O)cc6O3	2975
+c1ccc(cc1C(=O)OC)SCC(=O)C	833
+c1ccc2cc(sc2c1)-c3cc(C(=O)OC)cc4c[nH]nc34	833
+C(O)c1ccc(cc1C)C(=O)OC	833
+c1cc(ccc1C(OC)=O)-c2nnc(n2C)OC(C)c3nc(on3)-c4cccc(c4)Cl	8520
+c1cc(ccc1C(OC)=O)C(NC(=O)c2cc(F)cnc2Oc3ccc(cc3)F)C	833
+O=Cc1c(C)cc(OC)c(CCCC)c1C	151
+O=Cc1c(I)cc(OC)cc1	151
+O=Cc1cc2cccc(OC)c2nc1Cl	1031
+C[Si](C)(C)c1c(cc(C=O)c(F)c1F)Br	151
+C[Si](C)(C)c1c(c(C=O)c(cc1F)Cl)F	151
+C[Si](C)(C)c1cc(ccc1)C=O	146
+c1(c2c(C)ccc([N+]([O-])=O)c2[nH]c1)C=O	287
+Cc1c2cc(C=O)c(F)cc2[nH]n1	146
+Cc1c2cc(C=O)ccc2[nH]n1	146
+c1(C=O)c2c(-c3ccc(C)cc3C)ccnc2[nH]c1	8521
+Cc1nc(c2ccc(OC)cc2c1C=O)Cl	687
+Cc1nc(ccc1C=O)Cl	687
+ClC(Cl)=C1C2c3c(cccc3C1CC2)C=O	146
+c12c(C(=O)N(C1=O)c3cc4CC(=O)CCc4cc3)cccc2	8522
+c1cc(ccc1S(=O)(=O)N2CCC(Cl)=C(C2)C=O)C	2657
+Clc1c(Br)cc(C=O)s1	968
+O=Cc1c(F)c(c(Cl)cc1)C(=O)OC	151
+Clc1cc(Br)cc(Oc2c(C=O)c(F)ccc2Cl)c1	151
+O=Cc1c(c(NC(C)=O)ccc1Cl)F	151
+O=Cc1c(c(ccc1Cl)Br)F	151
+Clc1ccc2c([nH]cc2C=O)c1	287
+Clc1cccc(c1)-c2nn3c(c2C=O)ccnc3	2216
+O=Cc1c(Br)cccc1Cl	151
+c1cccc2n(C)c(c(C)c12)C=O	4528
+FC(F)(F)C(C)(C)C(N)=O	2789
+FC(F)(F)C=1N(C(N(C(C=1)=O)c2cc3c(cc2)snc3-c4cc(C)c(OC)cc4)=O)C	8523
+FC(F)(F)c1c(C=CN(C)C)c([N+]([O-])=O)ccc1	1744
+FC(F)(F)c1c(F)cc2n(cc(C=O)c2c1)C	287
+FC(F)(F)c1cc(ccc1C#N)N2C(N(C3(CCC3)C2=O)c4ccc(cc4)C)=S	8524
+FC(F)(F)c1c(ccc(S(=O)(=O)N(COC)c2cc(C)cnc2C=O)c1)Cl	4529
+FC(F)(F)c1c(ccc(S(=O)(=O)N(c2c(ncc(Cl)c2)C=O)COC)c1)Cl	4529
+FC(F)(F)c1cc(cc(C#N)c1)N(C)C	1572
+FC(F)(F)c1c(C=O)ccc(OCc2ccccc2)c1	146
+FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)Oc3c4n(ccc4ncn3)C)c1	8525
+FC(F)(F)c1cc(C=O)c(c(c1)Br)F	151
+FC(F)(F)c1cc(C=O)c(OCOC)cc1	151
+FC(F)(F)c1cc(OCOCC)c(cc1)C=O	151
+C[Si](C)(C)CCOCn1cc(nc1C=O)C(F)(F)F	1378
+FC(F)Oc1ncc(cc1)C=O	687
+FC(F)c1c(C=O)c(C)n(n1)C2OCCCC2	8526
+CN(C)C=NS(=O)(=O)c1ccc(cc1)-c2c(sc(c2C)N3CCOCC3)C(=O)N(OC)C	4531
+c1cc(ccc1S(=O)(=O)N=CN(C)C)-c2cc(-c3ccc(cc3)Cl)sc2C(=O)N(C)OC	4531
+n1c(NC(NCC)=O)cc(Br)c(c1)-c2cncc(c2)C=3OC(NN=3)=O	8527
+O=Cc1cnn2c1c(cc(c2)Br)OC	2216
+O1C(Oc2ccc(c(OC)c2C=O)OC)CCCC1	151
+O=Cc1cc2OCOc2c(Cl)c1	4532
+O=Cc1cc2OCOc2c(F)c1	4532
+O=S(=O)(Nc1c(F)c(c(cc1)F)C=O)CCC	151
+O=S1(=O)c2c(C(=O)c3cc(ccc13)F)ccc(C(N)=O)c2	1602
+O=Cc1ccc(c(C)c1O)O	151
+c1(cc(C#N)c(cc1)OC)C#N	8528
+O=Cc1cc(Br)cc(OCOC)c1	146
+O=Cc1cnc(c2cccc(C)c12)OC	687
+CN(C)C=Cc1cc(NC(C)=O)ncc1[N+](=O)[O-]	1744
+O=Cc1c(ccc(C=2CCC(CC=2)CCC)c1F)Br	151
+Clc1ccnc(Br)c1C=O	1031
+c1c(c(C=O)c(c(F)c1)F)OC	151
+c1(cc(cc(F)c1C=O)N)F	151
+O=Cc1c(F)nc(cc1)NCc2c(Cl)cccc2	687
+C(c1c(O)c(ccc1O)C=O)CC	151
+c1(C)c(c(c(c(OC)c1C=O)C)C)OC	146
+O=Cc1cc2c(nccc2)cc1[N+]([O-])=O	8529
+CN(C)C=Cc1c(cncc1Br)[N+](=O)[O-]	1744
+c1cccc(C=2C(c3c(cc(O)cc3)OC=2)=O)c1OC	8530
+c1(c2c(ccn2C)cc(C=O)c1Cl)F	146
+c1c(C=O)cc(OC)c(OC)n1	687
+c1(cc(C(CC)Nc2cc(c(C)cc2)C=O)ccc1Cl)C	146
+c1(C)cc(cc(C)c1NC(=O)OCC)C=O	146
+c1c(F)c(c(cc1C#N)F)C=O	151
+c1([N+]([O-])=O)ccc(c(F)c1)C(=O)N	1602
+COc1c(F)c(ccc1F)C(=O)N	1602
+c1(cccc(F)c1-c2nc3c([nH]cc3)cc2)F	8531
+c1(C=O)ccc(c(CC)c1)OC	151
+c1(c2c(c(c(F)cc2[nH]c1)Br)F)C=O	287
+c12c(cc(c(c1)O)C(=O)O)cc(C=O)cc2	146
+c1cc2c(cc1)c(c3ccccc3c2Br)C=O	146
+O=Cc1c(n(c2c1cc(nc2N3Cc4c(cccc4)CC3)C#N)CC=C)C	287
+O=Cc1c2cc(Br)c(Cl)cc2[nH]c1	287
+O=Cc1c2cc(OC)ccc2[nH]c1	287
+c12c(ccc([N+]([O-])=O)c1)n(cc2)N	8532
+c12ccc(C=O)cc1c3ccccc3n2C	146
+O=Cc1cc2c(n1C)c(C)ccc2	4528
+C1C(c2c(Cl)cccc2)C3C(C(=O)NC3=O)c4c1n(c(c4)C=O)CCCOC	413
+CCn1c2c(c(Cl)ncc2)nc1C=O	8533
+O=Cc1c(c(Br)cnc1)C	687
+O=Cc1cc(c(Br)cc1F)F	146
+O=Cc1c(F)cc(C)cc1Br	151
+O=Cc1c2N(C)C(Cc2cc(c1)Br)C	151
+O=Cc1cc(Br)cc2CCCN(CCCCC(OCC)=O)c12	151
+c1c(ccc(Cl)c1Br)C(=O)N	8534
+c1c(C)oc(c1)CNc2ccc3c(C=O)cccc3n2	3930
+c1(c(C=O)cccc1)CCCCCCCCC	146
+C(CCOCc1cc(F)c(cc1)F)CCCCC(=O)O	8535
+c1c(Cl)cc(cc1C(c2nc(OC)nc(c2CC)OC)=O)Cl	8536
+c1c(F)c(c(cc1C)F)C=O	151
+c1(F)cc(cc(F)c1C=O)Cl	151
+c1c(I)cc(c(NC2=CC(=O)N(C)C=C2C=3OC(NN=3)=O)c1)F	8537
+O(C)c1cc(OC)c(C=O)c(Br)c1	151
+c1c2OCCOc2cc(OC)c1C=O	151
+c1c(c(C=O)c(C)cc1)CCOC	146
+c12[nH]c(c(CCC(=O)O)c1CCCCC2)C=O	413
+c12[nH]c(c(CCCO)c1CCCCC2)C=O	413
+c1(C=O)cc2c(n[nH]c2cc1)CC	146
+O=Cc1cn(CC)c2cc(ccc12)C(=O)OC	287
+c1c2c(csc2ccc1)C=Cc3sc(C=O)cc3	3537
+c1cccn2c(cnc12)C=O	8538
+c12oc3c(c1ccc(c2C)C=O)cccc3	8539
+O=Cc1c(c(ccc1F)C#N)Cl	151
+c1cc(ccc1)-n2c(cc(C=O)c2C)C	287
+O=Cc1ccc(Oc2cccc(c2)F)nc1	687
+c1cc2c(c(c1OCCC)Cl)cc[nH]2	4533
+c1ccccc1-c2c(C=O)c3cc(Cl)cc(c3[nH]2)[N+]([O-])=O	287
+c1ccccc1-c2cccc(C=O)c2	146
+c1ccccc1C(=O)C=CN(C)C	2409
+c1cc(ccc1)C(Nc2c3ccc(cc3ccn2)C=O)=O	146
+c1ccccc1CN(Cc2ccccc2)c3c(F)c(C=O)c(F)cc3	151
+c1cc(ccc1)COc2c3n(c(C)c(C=O)c3cnn2)Cc4ccc(cc4)OC	8540
+c1cc(ccc1)CSc2n3ncc(C=O)c3nc(Nc4cc(Cl)ccc4)c2	2022
+c1cc(ccc1)Cc2cc3c([nH]cc3C=O)cc2	287
+c1cc(ccc1)Nc2nc(ccn2)-c3n(C(C)C)c(nc3)C=O	1378
+c1ccccc1Oc2cc3c(cc2)[nH]cc3	4533
+c1cc(ccc1-c2c(n(c(c2-c3ccc(cc3)F)C(=O)OCC)C(C)C)C=O)F	413
+c1cc(ccc1-c2n(C)c3c(c2CCC(=O)O)cc(cc3)Cl)Cl	8541
+c1cc(ccc1S(=O)(=O)N2CCCC2)-c3c4cc(C=O)n(c4ncc3)S(=O)(=O)c5ccccc5	413
+c1cc(ccc1S(=O)(=O)N=CN(C)C)-c2c(ccc(-c3n(c(cc3C)C(=O)N(C)OC)C)c2)OC	8542
+c1cc(ccc1-c2ccc3[nH]cc(C=O)c3c2)Br	287
+c1cc(ccc1F)-n2nnc(C)c2C=O	8543
+c1cc(ccc1Br)-n2c(C)c(C=O)c(C)n2	4530
+c1cc(ccc1CC2OC(C)(C)OC2)C=O	146
+c1cc(ccc1)C(C)N2CCOC(C2)c3ccc(cc3)C=O	146
+c1cc(ccc1CC2(CCN(CC2)C(=O)C3CN(Cc4ccccc4)c5cc(Cl)c(C=O)cc5O3)C#N)F	151
+c1cc(ccc1CNc2ccc(cn2)C=O)Cl	687
+c1cc(ccc1Cl)-c2c(c3c(cccc3)[nH]2)C=O	287
+c1ccccc1-c2c(n(c(C=O)c2-c3ccc(cc3)F)C(C)C)C(=O)OCC	413
+c1cc(ccc1-n2c(ncc2C(C)(C)c3cc(Cl)c(Cl)cc3)C=O)F	1378
+CCC(=CC)c1cc(C=O)c(F)cc1	151
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4c3cc(C=O)cc4	146
+c1cc(ccc1F)Oc2cccc(C=O)c2	146
+c1cc(ccc1C=O)N(CCCCCCOC2CCCCO2)CC	146
+c1c(C)c(c(cc1Br)C)Sc2c(c(C=CN(C)C)nc(Nc3ccc(cc3)C#N)n2)[N+](=O)[O-]	1693
+c1(C)cc(cc(C)c1Oc2c(c(nc(Nc3ccc(cc3)C#N)n2)C=CN(C)C)[N+]([O-])=O)Br	1693
+c1cc(ccc1OC)-c2csc(C=O)c2-c3c(C)cc(cc3)C#N	968
+c1cc(ccc1C(N)=O)OCCN2CCCC2	1602
+c1cc(ccc1[N+](=O)[O-])C(=O)N(C)C	8544
+c1cc(ccc1CCC(=O)N)[N+]([O-])=O	2789
+c1cc(nnc1C(=O)OC)Cl	4534
+c1c(OC)c2cccc(C)c2c(c1)C=O	151
+c1(C=O)cc2c(OCC)c(C#N)cnc2cc1	1669
+O=Cc1c2c(cccc2)[nH]c1C	287
+O=Cc1c2n(c(ccc2)Cl)nc1-c3cccc(c3)C	2216
+O=Cc1c2c(c(C)c(cc2)[N+]([O-])=O)[nH]c1	287
+c1(C=O)c2c(C(=O)OC)cccc2[nH]c1	287
+c1(c2c(cccc2[nH]c1)O)C=O	287
+CC(C)(N1C(c2c(Cl)c(ccc2C1=O)F)O)c3ccccc3	4535
+c1ccccc1C2CN(CCc3cc(C=O)sc23)C	968
+c1cc(ccc1)CCCN2C(c3c(C2=O)ccc(OC)c3)O	4535
+c1ccccc1COC(=O)c2ccc(C=O)[nH]2	413
+c1ccccc1COCCCc2ccc(cc2)C=O	146
+c1ccccc1COc2cc(cnc2Nc3scc(C)n3)C=O	687
+c1ccccc1COc2cc(C)c(cc2)C=O	151
+c1ccccc1COc2ccc(cc2)-n3c4c(c(C=O)c3C)cc(F)cc4	287
+C1CCCC1c2cc(C=O)ccc2OCc3ccccc3	146
+c1ccccc1COc2cc(C=O)cnc2	687
+c1cc(ccc1)Cn2c(-c3ccccc3)c(c4c2C(CN(C4)Cc5ccccc5)C)C=O	287
+c1cc(ccc1)Cn2c3c(c(C=O)c2C(C)C)ccc(OC)c3	287
+C(c1n(-c2c(Cl)cccn2)ccc1)=O	413
+O=Cc1n(ccc1)-c2c(F)ccc([N+]([O-])=O)c2	413
+c1cnccc1-c2cc3c(nc2-c4occn4)NC(=O)N3	8545
+c1(c2n(nc1)ccc(Cl)n2)C=O	2022
+c1(c2cc(Br)ccn2cn1)C=O	8546
+n1n(C)c(CC)cc1C(=O)N(OC)C	8547
+CN(C)CC#Cc1cc(c(OC(OC)=O)cc1[N+](=O)[O-])C	197
+CN(C)CC#CC(=O)O	3914
+CN(C)CC#Cc1ccc(c(C)c1Cl)Br	121
+c1cc(ccc1NC(c2ccc(cc2)F)=O)CNc3c4cc(ccc4nc(N(C)C)n3)C#CCN(C)C	121
+c1cc(ccc1C(Nc2ccccn2)=O)-c3nc(C4N(CCC4)C(C#CCN(C)C)=O)n5ccnc(N)c35	2976
+CN(C)CC#Cc1c(cc(OC(OC)=O)c(C)c1)N	0
+CN(C)CCCc1ccc(c(c1Cl)C)Br	213
+CN(C)CC(=O)N1CCCC1COc2c3c(ncnc3Nc4ccc(c(Cl)c4)OCc5nccnc5)ccc2	8548
+CN(C)CC(N1CCc2cc(ccc12)N)=O	0
+c1cc(ccc1NC(C)CN(C)C)[N+](=O)[O-]	60
+CN(C)CC(=O)NCC1Cc2cc(C)c3c(ccc(n3)O)c2O1	9
+CN(C)CC(=O)N1CCCC1COc2c3c(ncnc3Nc4ccc(c(Cl)c4)O)ccc2	10
+CN(C)CC(=O)N1C(CC(C1)O)COc2c3c(ncnc3cc(c2)OC)Nc4cc(c(F)cc4)Cl	10
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5c(ccc(c5)NC(=O)CN(C)C)C)=O)n2	33
+c1cc(ccc1-c2oc3c(C(N)=O)cccc3n2)C4CCCN(C4)C(CN(C)C)=O	10
+CN(C)Cc1nc(-c2c3n(cn2)-c4ccc(F)cc4C(N5CCC35)=O)no1	4536
+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(c(cc34)NC(C=CCN(C)C)=O)OCC	8549
+CN(C)CC1CC1c2cc3[nH]cc(C#N)c3cc2	4537
+CN(C)CC1Cc2ccc(cc2CC1)NC(c3[nH]cc(-c4ccc(cc4)Cl)c3)=O	187
+CN(C)CC1CN(S(=O)(=O)C)c2ccccc2C1	1632
+CN(C)CC1CCCN1c2cc(N)c(N)cc2Cl	0
+CN(C)CC1N(c2c(cc([N+]([O-])=O)c(N)c2)Cl)CCC1	202
+CN(C)CC=CC(=O)N1CCc2c(sc3ncnc(Cl)c23)C1	4110
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c(cnc4cc(OCC)c(cc34)NC(C=CCN(C)C)=O)C#N	4538
+CN(C)CCC(Nc1cc(ccc1)N)=O	0
+CN(C)CCC(Nc1cccc(-c2ccnc(NCCc3cc(c(OC)cc3)OC)n2)c1)=O	33
+c1(c(c2ccccc2[nH]1)C(=O)CCn3ccnc3)C	8550
+CN(C)CCCc1c2ccccc2[nH]c1-c3c(noc3C)CC	1283
+c1cc(ccc1N(CCCl)CCCl)NC(=O)Nc2cccc(c2)NC(CCN(C)C)=O	124
+c1ccccc1-c2n(c3c(c2C(CCn4ccnc4)=O)cccc3)C	8551
+O(C)c1c(ccc(c1)C=2CCNN=2)OC	8552
+CN(C)CCC(=O)c1cc([N+](=O)[O-])c(s1)Sc2ccc(Cl)cc2Cl	4539
+C1CC(=O)N(C1=O)OC(CCCOc2cc3c(C(CCCN(C)C)c4c(cccc4)CC3)cc2)=O	884
+CN(C)CCCC1c2c(CCc3ccccc13)cc(OCCCC(O)=O)cc2	3
+CN(C)CCCCNCCC#N	1287
+CN(C)CCCCNc1ccccc1S(=O)(=O)Nc2ccc3c(OCC4C3CCO4)c2C(O)=O	60
+CN(C)CCCCNc1nccc(Oc2cc(c(N)cc2)C)n1	96
+CN(C)CCCCN(C)c1ccccc1S(=O)(=O)Nc2ccc3C4C(COc3c2C(=O)O)C4	34
+CN(C)CCCCNC	695
+FC(F)(F)c1c(-c2cccc(Cl)c2)ccc(c1)NC(Nc3c(C)cc(Oc4ccnc(NCCCCN(C)C)n4)cc3)=O	1680
+CN(C)CCCOc1cc(-c2c(-c3c(C)cccc3)ccc(C(=O)OC)n2)ccc1Cl	72
+CN(C)CCCOc1ccc(cc1N)Cl	72
+FC(F)Oc1ccc2c(c1)c(nn2CCCN(C)C)I	2058
+CN(C)CCCOc1c(CC=C)cc(OCCCC)cc1	72
+c1cc(ccc1OCCCN(C)C)Nc2cc(Nc3cccc(c3)C)ncn2	72
+CN(C)CCCNC(c1n(c2ccccc2n1)CCCCCCCCCCCCCCCCCC)=O	1506
+CN(C)CCCNc1ncc2c(ccc(Br)c2)n1	8553
+O=S(=O)(N(C)c1ccc(c2c1[nH]c(C=3SC(CN=3)CC(=O)N)c2)C)c4cccs4	8554
+O=S(=O)(N(C)c1cccc2cc(C(N)=O)[nH]c12)c3ccccc3OC	8555
+CN(C)CCCNC(=O)C=C	8556
+FC(F)(F)C(C)Nc1nc(nc(Cl)c1-c2c(F)cc(cc2F)OCCCN(C)C)-c3ccccn3	57
+FC(F)(F)CNc1c(-c2c(cc(cc2F)OCCCN(C)C)F)c(Cl)nc(-n3ccnc3)n1	57
+CN(C)CCCOc1cc(F)c(c(c1)F)-c2c(C)nnc(-c3c(cccc3)F)c2-c4cc(OC)cc(OC)c4	57
+c1cc(ccc1-c2ccc3c(C(Nc4ccc(cc4)Cl)CC(C)N3C(C)=O)c2)C(=O)OCCCN(C)C	1533
+CN(C)CCCOc1ncc(Br)cc1	430
+n1cc(cnc1-c2cc(ccc2)C(OC)=O)OCCCN(C)C	1897
+CN(C)CCCOc1c(CCCO)cc(OCCCC)cc1	347
+CN(C)CCCOc1ccc(Cl)cc1NC(Nc2ncc(C#N)nc2)=O	446
+CN(C)CCOc1cc(F)c(c(F)c1)C2=C(N=C(C(=O)N2CC(C)CC)n3cccn3)Cl	72
+c1ccccc1S(=O)(=O)c2ccc3N(C(COc3c2)=O)CCN(C)C	1525
+CN(C)CCn1nc2c(cc([N+]([O-])=O)cc2)c1	8557
+CN(C)CCn1ncc2c1cc([N+]([O-])=O)cc2	2058
+c1cc(ccn1)Nc2c(OCCN(C)C)cnc(-c3nn(Cc4c(cc(cc4F)OCC)F)c5c3CCC5)n2	8558
+CN(C)CCN1c2c(CCC1=O)cc(cc2)[N+]([O-])=O	1525
+CN(C)CCOc1ccc2c(N(c3c4CCCc4nc(-c5sc(cc5)Cl)n3)CC2)c1	72
+c1cc(ccc1OCCN(C)C)-c2c(cnc(n2)N)C3=NN(C(C)C)C(=O)C=C3	72
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3CCCc4cc(OCCN(C)C)ccc34)C(C)C	72
+CN(C)CCOc1ccc(cc1)Cc2c(NCCCCC)nc(N)nc2C	72
+CN(C)CCOC(C(CNC(c1cccs1)=O)NC(=O)c2c(cc(cc2)C(NCc3cccc(O)c3)=O)Cl)=O	2120
+O(C)C(OC)c1c(cc2CCCNc2n1)CNCCN(C)C	249
+CN(C)CCN1C(=O)c2c(cc([N+](=O)[O-])c(N)c2C)C1=O	8559
+CN(C)CCNc1ncc2c(n1)N(OC)C(=O)C(c3c(Cl)ccc(c3)[N+]([O-])=O)=C2	435
+O=S(=O)(NCCN(C)C)c1cccc([N+](=O)[O-])c1	71
+CN(C)CCNc1c(cccc1)[N+](=O)[O-]	250
+CN(C)CCNc1nc(-c2c(C)ccc(C(=O)Nc3sccn3)c2)c4c(N(C(=O)C=C4)c5c(F)cccc5F)n1	306
+CN(C)CCNc1ccc(cn1)[N+](=O)[O-]	70
+CN(C)CCNc1c2c(ncn1)[nH]c3c2ccc(C#N)c3	974
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(nc5sc(cc45)CC)NCCN(C)C)=O	96
+CN(C)CCNC(=O)Cc1cc(sc1-c2ccc(cc2)C#N)C(=O)c3occc3	9
+c1cc(ccc1Br)NC(=O)c2ccc(c([N+](=O)[O-])c2)NCCN(C)C	60
+c1cc(ccc1Cl)-c2n(CCN(C)C)c3CCSCc3c2	4541
+c1cc(ccc1F)N2CCN(CC2)C(=O)NCCN(C)C	1132
+c1cc(ccc1CC(=O)NCCN(C)C)NC(OCc2ccccc2)=O	9
+c1cc(ccc1Oc2ccccc2)NC(Nc3cc(c(NCCN(C)C)cc3)[N+](=O)[O-])=O	60
+c1ccccc1CN2C(C3=C(CCC3)N=C2C(NCCN(C)C)CC)=O	1682
+c1ccccc1CN2C(C(CC)NCCN(C)C)=Nc3ncccc3C2=O	1682
+CN(C)CCN(C)C(c1ccc(cc1)N)=O	0
+c1cc(ccc1Br)NC(Nc2ccc(cc2)C(=O)N(CCN(C)C)C)=O	124
+CN(C)CCN(C)c1c(N)cc(Nc2ncc(c(-c3cn(c4c3cccc4)C)n2)C)c(OC)c1	0
+CN(C)CCN(C)c1c(N)cc(c(c1)OC)Nc2nc(-c3c4c([nH]c3)cccc4)ccn2	0
+CN(C)CCN(C)c1c(cc(c(c1)OC)Nc2ncc(C#N)c(-c3c4n(nc3)cccc4)n2)N	8560
+CN(C)CCN(C)c1c(cc(c(c1)OC)Nc2nc(-c3c4n(nc3)cccc4)c(cn2)Cl)N	0
+CN(C)CCNCCCCn1c2c3c(cccc3)nc(N)c2nc1CCOC	1385
+CN(C)CCN(C(OCC)=O)c1c(N)cccc1	0
+CN(C)CCN(c1sc2c(n1)ccc(N)c2)C	0
+c1cc(ccc1I)C(Nc2cc3c(nc(N(CCN(C)C)C)s3)cc2)=O	67
+CN(C)CCN1C(c2c(C)c(N)c(N)cc2C1=O)=O	0
+CN(C)CCN1C(CCn2c(c(C3CCCCC3)c4c2cc(C(=O)O)cc4)-c5ccccc5C1)=O	1
+CN(C)CCN1C(c2c(cc3c([nH]c(-c4c(Cl)ccnc4OC)n3)c2C)C1=O)=O	1637
+c1(F)c(F)c(c(c(F)c1)F)CC(C)Nc2ccnc(O)c2-c3nc4cc5c(C(=O)N(C5=O)CCN(C)C)c(C)c4[nH]3	105
+CN(C)CCN1C(=O)c2c(cc3nc([nH]c3c2C)-c4c(O)nccc4NC(Cc5c(ccc(F)c5)C)C)C1=O	8561
+CN(C)CCN1C(c2c(C1=O)cc3c(c2C)nc(-c4c(nccc4Cl)O)[nH]3)=O	104
+c1cc(ccc1C(N2CCCc3cc4c(N(CCO4)CCN(C)C)cc23)=O)-c5c(cc(N6C(=O)CCC6)cc5)C	8562
+C1CSc2cc([N+]([O-])=O)ccc2N1CCNC	2217
+CN(C)CCN1CCc2[nH]c(c(c2C1=O)C)C=C3c4c(ncnc4NC3=O)Nc5cc(c(F)cc5)Cl	2709
+c1cc(ccc1)OC(N(CCN2c3ccc([N+]([O-])=O)cc3CCC2)C)=O	1142
+CN(C)CCN1c2c(CCC1)cc([N+]([O-])=O)cc2	15
+FC(F)(F)c1csc(-c2c(-c3cnc4c(c3)C(C(C(OCC)=O)=CN4CCN(C)C)=O)cnc(c2)NC(=O)NCC)n1	1168
+CN(C)CCN(C)c1c(cc(Nc2nc(c(C)cn2)-c3cn(c4c3cccc4)C)c(OC)c1)[N+]([O-])=O	34
+CN(C)CCN(C)c1c(cc(c(c1)OC)Nc2ncc(c(-c3c4n(nc3)cccc4)n2)Cl)[N+](=O)[O-]	34
+CN(C)CCN(c1nc2ccc([N+]([O-])=O)cc2s1)C	8563
+CN(C)CCN(C)c1c(cc(Nc2nccc(n2)-c3c4c([nH]c3)cccc4)c(OC)c1)[N+]([O-])=O	34
+CN(C)CCN(C(=O)c1ccc(cc1)[N+](=O)[O-])C	30
+CN(C)CCNCCc1c(C(OCC)=O)c(C)c[nH]1	15
+c1cc(ccc1[N+]([O-])=O)CC(Nc2ccc(cc2)CC(NCCN(C)C)=O)=O	33
+CN(C)CCNC(=O)c1c2c(ccc1)nc3ccc4cc(ccc4c3n2)O	5
+CN(C)CCN1CCc2c(c(C)c[nH]2)C1=O	1858
+CN(C)CCNc1cc(N)c(cc1F)N	0
+CN(C)CCNc1c(F)cc2[nH]c(-c3nn(cc3N)C4OCCCC4)nc2c1	209
+CN(C)CCNc1ccc(cn1)N	13
+CN(C)CCNc1ncc2C=C(C(=O)N(c2n1)OC)c3cc(NC(=O)Nc4cc(c(cc4)OC)Cl)ccc3Cl	124
+CN(C)CCNc1ncc2c(N(C(C(c3c(ccc(N)c3)Cl)=C2)=O)OC)n1	0
+CN(C)CCOCc1c(cccn1)OCCOC2CCCCO2	2404
+CN(C)CCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CCCCn2c3c(nc2CCOC)c(N)nc4ccccc34	2715
+CN(C)CCOc1ncc([N+](=O)[O-])cc1Br	91
+CN(C)CCOc1c([N+](=O)[O-])cccc1	20
+c1ccccc1-c2cc(c(nc2-c3ccc(cc3)CN4CCC(CC4)N5C(=O)Nc6c5cccc6)OCCN(C)C)C#N	91
+c1cc(ccc1C)S(=O)(=O)OCCN(C)C	36
+c1cc(ccc1Cc2c(C)nc(N)nc2NCCCCC)CC(=O)OCCN(C)C	456
+CN(C)CCOc1cc(COc2ccc(cc2)C(=O)Nc3cc(ccc3C)-c4ncc[nH]4)ncc1	260
+c1cc(ccc1N2CCN(CC2)C(OCCN(C)C)=O)[N+]([O-])=O	2078
+c1ccccc1C2=CC(C(OCCN(C)C)=O)=C3N(Cc4ccccc34)C2=O	8564
+CN(C)CCOc1nc(Cl)nc(Nc2cc3cn[nH]c3cc2)c1	145
+CN(C)CCOCCCC1Oc2c(c(C)c(O)c(C)c2C)S1	241
+CN(C)CCOCc1ncccc1OCCO	168
+CN(C)CCOc1ncc(N)cc1-c2cnc(nc2)OC	8565
+CN(C)CCOc1c(C)ccc(c1)Nc2cc(nc3c2cccc3)C	179
+O=S(=O)(Nc1c(OCCN(C)C)ccc(Br)c1)C	80
+c1ccccc1C(NC(=S)Nc2ccccc2OCCN(C)C)=O	865
+CN(C)CCOc1c(N)cc(cc1)Br	0
+CN(C)CCOc1c(N)cccc1	0
+CN(C)CCOc1c(OC)ccc(NC(c2cc(C)c(-c3ccc(cc3)-c4ncccc4)cc2)=O)c1	11
+CC(C)Oc1cc(OCCN(C)C)ccc1Nc2cccc(c2C(OC)=O)C(OC)=O	1215
+c1ccccc1COc2c3c(cccn3)c4C(CCl)CN(C(=O)c5[nH]c6c(c5)cc(OCCN(C)C)cc6)c4c2	2677
+CN(C)CCOc1cc(OC(C)C)c(N)cc1	0
+c1cc(ccc1C(c2ccc(cc2)O)=C(CC)c3cccc(OCCN(C)C)c3)O	1051
+CN(C)CCOc1ccccc1Nc2nc(C3=Cc4cccc(Cl)c4OC3=O)cs2	3467
+CN(C)CCOc1nc(-c2cc(ccc2)OC)nc(c1)Nc3cc4cn[nH]c4cc3	345
+CN(C)CCOc1nc2c(cc1-c3cnc(nc3)OC)nc(N)s2	4542
+CN(C)CCOc1c(Br)cc(N)cn1	13
+O=S(=O)(c1sc2ccc(CSCCN(C)C)cc2c1)N	639
+CN(C)CCc1c(O)ccc(c1)-c2n(C)nc(C)c2C	5
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c4cccc(C(N)=O)c4)c3n2)=O)c5ccc(cc5)OC)C)ccc1	216
+CN(C)CCc1cc2occc2c(n1)Cl	8566
+O=C1c2ccccc2C(=O)N1Cc3nnc(CCN(C)C)n3-c4ccc(cc4C(c5ccccc5Cl)=O)F	4543
+c1cc(ccc1Oc2ccccc2)CC(Nc3cc4c(nn(c4)CCN(C)C)cc3)=O	33
+CN(C)CCn1cc2c(n1)ccc(N)c2	0
+CN(C)CCn1c2c(cn1)ccc(NC(=O)Cc3ccc(cc3)OCc4ccccc4)c2	33
+CN(C)CCn1ncc2c1cc(N)cc2	0
+CN(C)Cc1c[nH]c2ccc(OCCC)c(c12)Cl	8567
+CN(C)Cc1c(ccc(c1)N)F	0
+N#CCc1c2c(c(Cl)ncc2Br)[nH]c1	1432
+C(c1c[nH]c2c1cc(cc2)C(=O)OC)C#N	1432
+C(c1c[nH]c2c([N+]([O-])=O)cccc12)C#N	1432
+c1c(cc2[nH]cc(CC#N)c2c1)Br	1432
+C(c1c[nH]c2c1ccc([N+]([O-])=O)c2)C#N	1432
+c1cc2[nH]cc(CC#N)c2c(c1OCCC)Cl	1432
+CN(C)Cc1cc(-c2cc3c[nH]nc3cc2F)cnc1	804
+CN(C)Cc1cc(-c2c(cc3n[nH]c(I)c3c2)F)cnc1	538
+CN(C)Cc1cc(N)c(OCC)cc1	0
+CN(C)Cc1ccc2oc(C)c(C=3C(NC(=O)C=3c4c[nH]c5c(cccc45)C)=O)c2c1	3331
+CN(C)Cc1ccc2ccc(c(CC(N)=O)c2c1)Cl	2125
+CN(C)Cc1ncc2ccc(c(C=3C(NC(=O)C=3c4c5ccccc5n(c4)C)=O)c2c1)Cl	1492
+CN(C)Cc1cc2c(CC(=O)N)c(C)oc2cc1	728
+CN(C)Cc1ccc2c(c(CC(N)=O)co2)c1	327
+CN(C)Cc1ccc2c(c(ccc2c1)Cl)CC(N)=O	83
+CN(C)Cc1ccc2c(c(Cl)ccc2c1)C=3C(=O)NC(=O)C=3c4cn(c5ccccc45)C	1492
+CN(C)Cc1cc2ccc(c(CC(O)=O)c2cc1)Cl	3
+CN(C)Cc1nc2c(c(Cl)ccc2cc1)CC(=O)N	2125
+CN(C)Cc1cc2c(ccc(Cl)c2C=3C(=O)NC(=O)C=3c4cn(C)c5ccccc45)cc1	1492
+CN(C)Cc1cc(ccc1)-c2cc3c(Nc4ccc5c(c4C)cc[nH]5)c(C#N)cnc3s2	2844
+CN(C)Cc1cccc(c1)CCNC=2C(N(C(=CN=2)C)CC(=O)O)=O	8568
+CN(C)Cc1nc2n(c(nc(c2)Cl)Cl)c1	8569
+CN(C)Cc1cn2C(=O)NC(Cl)=Cc2n1	8570
+CN(C)Cc1cnc2ccc(c(CC(N)=O)c2c1)Cl	327
+CN(C)Cc1cccc(CSCCNC2=NS(=O)(=O)N=C2N)n1	8571
+CN(C)Cc1ccc2c(n1)c(c(cc2)Cl)C=3C(=O)NC(=O)C=3c4c[nH]c5c(cccc45)C	2218
+CN(C)Cc1ccc2cc(ccc2n1)N	0
+CN(C)Cc1cc2c(CC(N)=O)c(ccc2cn1)Cl	327
+CN(C)Cc1cc(n(n1)C)Nc2ncc(c(Nc3c(F)cccc3C(NC)=O)c2)Cl	346
+CN(C)Cc1sc(C2(CCC3(CC2)OCCO3)O)cn1	8572
+O=S(=O)(N(C)C)c1c(ncc(c1)-c2nc3c(cc2)nccc3-c4ccncc4)N	8573
+c1cc(ccc1S(=O)(=O)N(C)C)Oc2cc(cc(C(=O)Nc3nn(C)cc3)c2)OC(C)COC	992
+CN(C)S(=O)(=O)c1cccc(N)c1O	0
+CN(C)S(=O)(=O)n1c(CN(C2CCCc3c2nccc3)CCCCN4C(=O)c5ccccc5C4=O)nc6CCCCc16	566
+CN(C)c1nc2cc([N+]([O-])=O)cc(C(Nc3cccc(Cl)c3C)=O)c2[nH]1	246
+CN(C)c1c(Br)cc(S(=O)(=O)Nc2ncc(Cl)cc2O)cn1	390
+CN(C)c1nc(ccc1[N+](=O)[O-])NCc2ccc(cc2)F	70
+CN(C)c1ncc(Cl)cc1-c2c3n(c(nc3cc(n2)C#N)N4CCOC5CCCC45)CC6CCC(CC6)C	8574
+CN(C)c1nc(Nc2c(C(=O)N)nnc(c2)Cl)ccc1C	314
+CN(C)c1cc([N+]([O-])=O)ccc1OCCN(CCc2ccc(OC)c(OC)c2)C	72
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)S(=O)(=O)c3c4cccc(N(C)C)c4ccc3)=O	92
+CN(C)c1n(Cc2ccccc2F)nc(c1)C#N	331
+c1ccccc1NCc2ccc(c(N(C)C)c2)OCOC	208
+CN(C)c1ncc(N)c(C)c1	13
+CN(C)c1cc(COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4)ccc1	967
+C1CC(CCC1N(C)Cc2ccccc2)(O)c3cc(ncc3)N(C)C	8575
+CN(C)c1nccc(c1)C(=O)N2CCCC(C2)c3ccccc3OC	30
+CN(C)c1ccnc(c1)CNC	1279
+CN(C)c1cc2c(cc1)C(=C3c4cc(Cl)ccc4NC3=O)OC2	3585
+CN(C)c1ccc(cc1)-c2nc(-n3nc(c(C(O)=O)c3)N)ncc2	6
+CN(C)c1ccc(cc1)-c2oc3c(C(O)=O)cccc3c2	1
+CN(C)c1ccc(cc1)C(O)C#Cc2ccncc2	8576
+c1cnccc1C#CC(c2ccc(cc2)N(C)C)=O	8577
+CN(C)c1ccc(cc1)C=2Oc3c(cc(cc3)O)C(C=2)=O	5
+CN(C)c1ccc(cc1)C=Cc2ccc(cc2)C=O	722
+c1cc(ccc1C=C)C=Cc2ccc(cc2)N(C)C	443
+C[Si](C)(C)C#CC(O)c1ccc(cc1)N(C)C	8578
+c1cc(ccc1CNc2ccc(cc2)C(C)C)N(C)C	208
+CN(C)c1ccc(cc1)C=C	443
+c1cc(ccc1N(C)C)CNC(c2n(c3cccc(O)c3c2)C)=O	81
+c1cc(ccc1CN2C(=O)C(=C(c3ccccc3)C2=O)Cl)N(C)C	8579
+CN(C)c1ccc(cc1)CN(C(CN(c2ccccc2OC)S(=O)(=O)c3ccccc3C)=O)CC	10
+CN(C)c1ncc(cc1)-c2ccc(nc2)C(=O)NCc3cnc(cc3)-c4cc(ncc4)F	1168
+c1ccccc1-n2c(c(C=Cc3nc4c(cc3)cc(N(C)C)cc4)cc2C)C	8580
+CN(C)c1cc(N(C)C)ccc1C2(c3c(n(CC)c4c3cccc4)C)c5ccccc5C(=O)O2	8581
+CN(C)c1cccc(Nc2nc(ccn2)N(C)c3cc4oc(C)c(C(NC)=O)c4cc3)c1	55
+CN(C)c1nc(ccc1)-c2cc(c(Cl)cc2)C(OC)=O	119
+CN(C)c1ccccc1CN2CC(CC2)Nc3ncc(C=CC(OC)=O)nc3	48
+CN(C)c1ccccc1CN2CC(CC2)Nc3cnc(C=CC(=O)O)cn3	127
+CN(C)c1cc(ncc1)CCl	515
+CN(C)c1ccnc(c1)CN(C)Cc2nc(cc(c2)O)-c3nccc(Cl)c3	1309
+c1cc(ccn1)-c2cncc(N(C)C)n2	1940
+CN(C)c1cc(C(N)=O)nn1Cc2c(cccc2)F	314
+C1CC(CCC1CN)Nc2nc(nc(N(C)C)c2)C	102
+CN(C)c1c(ccc(Nc2cc(NCCN)nnc2C(=O)N)n1)C	232
+CN(C)c1cccc(-c2ccc(Cl)c(C(=O)N)c2)n1	666
+C1COCCN1c2nc(nc(N(C)C)n2)-n3cncc3	3970
+c1cc(ccc1Nc2nc(nc(N(C)C)c2)NC(=O)Cc3ccccc3)C	784
+CN(C)c1[nH]c2cc([N+]([O-])=O)cc(C(O)=O)c2n1	1
+CN(C)c1[nH]c2c(c(C(Nc3c(C)c(ccc3)Cl)=O)cc(NC(c4c(Cl)cccc4F)=O)c2)n1	50
+CN(C)c1nc2c(cc(N)cc2[nH]1)C(Nc3c(C)c(Cl)ccc3)=O	0
+CN(C)c1ncc(cc1)CO	295
+CN(C)c1c(cc(cn1)Cl)-c2nc(C(=N)NO)cc3nc(n(CC4CCC(CC4)C)c23)N5CCOC6CCCC56	958
+C(C)C(CC)c1c2n3CCCCN(c3nc2c(Cl)cc1)c4c(cc(nc4)N(C)C)C	2394
+CN(C)c1ncc(Nc2n(c3c(C(CC)CC)ccc(Cl)c3n2)CCCCO)c(C)c1	44
+CN(C)c1nccc(-c2c(nc3n2cccc3)CO)c1	874
+CN(C)c1nccc(-c2n3ccccc3nc2C=O)c1	614
+CN(C)c1nn2c(n1)cc(cc2)NC(=O)c3c(cnn3C)C(=O)O	6
+CN(C)c1oc2c(cc(Oc3ccc4c(c(C(NCC(O)=O)=O)nc(c4c3)C#N)O)cc2)n1	2977
+CN(C)c1oc2c(cc(Oc3cc4c(c(O)c(C(=O)OCCCC)nc4C#N)cc3)cc2)n1	577
+CN(C)c1oc2c(cc(cc2)Oc3cc4c(nc(C(OCCCC)=O)c(c4cc3)O)Cl)n1	137
+C(N(C)c1n[nH]c2ccc([N+]([O-])=O)cc12)C(NC)=O	9
+c1nc2ccc(C=O)cc2nc1	760
+CN(c1c2c([nH]cc2)ncc1)c3ccc(N)cc3F	0
+c1cc(ccc1[N+]([O-])=O)N=Nc2ccc(N(CC=C)C)cc2O	725
+[N-]=[N+]=NCCCN(C)c1cc(ccc1)OC	310
+C(N1CC=C(CC1)c2ccc(c(CC)c2)N(C)c3ncc4c(c3)n(cn4)C)(CC#N)=O	2699
+c1cnccc1CNc2nc(Cl)cc3c2C(N(C)C=N3)=O	70
+c1cc(ccc1N=C2NC(Br)=CN(C)C2=O)CCO	8582
+c1cc(ccc1C(Nc2ccccc2CCC3N(C)CCCC3)=O)[N+](=O)[O-]	50
+O=S(=O)(C)Nc1cc(c(cc1)F)C2=CN(C)C(c3ccc(cc23)-c4cnn(c4)C)=O	80
+N1(C(=O)C)Cc2cc(NC3=CC(=CN(C)C3=O)Br)nn2CC1	523
+CN1C=C(C=C(C1=O)Nc2cc3CN(CCOC)CCn3n2)Br	523
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3C)Br	523
+CN1C=C(C=C(C1=O)Nc2nc(ccc2)N)Br	523
+CN1C=C(C=C(C1=O)Nc2cc(COC)n(C)n2)Br	523
+n1n2CCOCc2cc1NC=3C(N(C=C(Br)C=3)C)=O	523
+CC1(C)Cc2c(n3c(c2)C(N(CC3)c4nccc(C5=CN(C)C(=O)C(Nc6cccc(n6)N)=C5)c4COC(C)=O)=O)C1	8583
+O=S(=O)(Nc1cccc(c1)C2=CN(C)C(c3ccc(cc23)-c4ccccn4)=O)CC	2220
+c1c(F)c(N2C(CN(C)C(C2)C)C)ccc1N	0
+CC1=C(C(N(N1C)C)=O)C#N	8584
+c12n(-c3c(Cl)cccc3)cnc1N(C(=O)N(C)C2=O)C	3775
+c1ccccc1COC(=O)NC2CC(C(=O)NC3=C(c4ccccc4N(C3=O)C)N)CCC2	8585
+C1(c2noc(-c3cc(Cl)ccc3)c2)COCCN1C(=S)NC	1383
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2cc3c(C(CC3)NC(NC)=S)cc2	1832
+O(C)c1nccc(c1)C=2N(C)C(=S)NN=2	8586
+N(c1cc(cc(C(=O)O)c1)O)C(NC)=S	2898
+c1([N+]([O-])=O)ccc2c(C(=C(O)C(C)(O2)COC)C(=S)NC)c1	8587
+c1(cccc(C#N)c1)-n2nc(nn2)C3CCCN3C(=S)NC	1383
+c1cc2c(C(N(C(=S)N2)C)=O)cc1Br	8588
+c1ccccc1COCCN2C(=O)N(C(=O)c3c2n[nH]c3NC)CCCC	8589
+o1c(-c2cc(ccc2)C#N)cc(C3CCCCN3C(=S)NC)n1	1383
+o1c(-c2csc(c2)Cl)cc(C3CC4CC4N3C(=S)NC)n1	1383
+CN(C)C(=O)c1cc(ccn1)-c2c(c(cc(C(C)n3c4ncnc(N)c4c(C)n3)c2OC)Cl)C	147
+FC(F)(F)c1c2c(c(c(cc2)OCCCN(C(N(C)C)=O)C)CCC)on1	2399
+CN(C)Cc1ncc2ccc(Cl)c(CC(OC)=O)c2c1	596
+CN(C)c1cncc(-n2cc(nc2C)C#Cc3cc(Cl)ccc3)c1	2688
+n1c(Cl)nc(nc1N(C)C)Cl	436
+CN(C)c1nc(Cl)ncc1C	54
+FC(F)(F)C(c1cn(c(c1)C(N(C)C)=O)CC=C)(O)c2ccc3c(c2)cnn3-c4ccc(cc4)F	147
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(C2=O)Cc3nc(NC(=O)N(C)C)ncc3	437
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(c1)[N+]([O-])=O)N(C)C	34
+FC(F)(F)c1cc(cc(c1)[N+]([O-])=O)C(N(C)C)=O	30
+FC(F)(F)c1cc2nc(C)n(c2c([N+]([O-])=O)c1N(C)C)CC	1998
+FC(F)(F)c1ccc2c(nc(SCC)c(c2N(C)C)C(NCc3cc(ccc3)F)=O)c1	264
+FC(F)(F)c1ccc(cc1)-c2c(C(OC)=O)ccc(CN(C)C)c2	131
+FC(F)(F)c1ccc(cc1)-c2sc(CNc3ccc(cc3)C4CC4C(N(C)C)=O)c(C)n2	10
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(C2CCC(CC2)OCCCC(C)N(C)C)C	85
+FC(F)(F)c1c(cn(n1)CC(Nc2sc3CCCCc3c2C(NCCO)=O)=O)CN(C)C	678
+FC(F)c1n(C(C(=O)N(C)C)C)c2c(c(c(C#N)cc2)Cl)c1	10
+CN(C)Cc1cc(C#Cc2cc(cnc2)C#N)ccc1F	171
+c1cc(ccc1-c2cn3c(C(N(c4c(F)c(ccc4)OC)C(N3Cc5c(F)cccc5F)=O)=O)c2CN(C)C)[N+](=O)[O-]	619
+CN(C)C(=O)c1ccc(c(F)c1)N	30
+CN(C)C(=O)c1cc(ccc1Br)N	30
+CN(C)Cc1cc2c(CC(=O)OCC)c(ccc2cc1)Cl	48
+CN(C)Cc1ccc2c(n1)c(c(Cl)cc2)CC(OCC)=O	315
+CN(C)Cc1nc(sc1)-c2ccc(cc2[N+]([O-])=O)C	3708
+CN(C)Cc1nc2ccc([N+](=O)[O-])cc2cc1	315
+CN(C)Cc1sccn1	3965
+CN(C)CCCn1c2c(ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)c2)nc1	123
+CN(C)CCOc1ccc2n(cc(CC(N3C4CC4CC3C(=O)NCc5c(F)c(ccc5)Cl)=O)c2c1)C(=O)N	123
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1	123
+O=S(=O)(N(C)C)c1c(OC)cccc1	92
+CN(C)S(=O)(=O)c1ccc(F)c(Cl)c1	92
+O=S(=O)(c1ccc2NC(Cc2c1)=O)N(C)C	92
+c1cc(ccc1F)-n2c3C=C4C(C(=O)c5ccccn5)(CN(S(=O)(=O)c6cnc(N(C)C)cc6)CC4)Cc3cn2	43
+CN(C)C(=O)c1cc(NS(=O)(=O)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3)ccc1	115
+CN(C)CCCOc1cc(Nc2cc(-c3c(-c4cnccc4)c(C#N)c(SC)s3)c(cc2)C)ccc1	123
+CN(C)S(=O)(=O)c1c(N)ncc(c1)Br	1027
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(F)ccc23)S(=O)(=O)N(C)C)C	1027
+c1ccccc1OCCC(N(C)C)C	2687
+O=S(=O)(c1ccc(cc1)Cc2ccc(cc2)[N+]([O-])=O)N(C)C	92
+CN(C)c1c(Br)cc(S(=O)(=O)Nc2ncc(Cl)cc2OC)cn1	43
+CN(C)c1cc(c([N+](=O)[O-])cn1)C	43
+CN(C)c1c(C)ccc(n1)N	43
+CN(C)Cc1cc2c(cc1)oc(C)c2CC(=O)OCC	48
+CN(C)Cc1ccc2c(ccc(Cl)c2CC(OCC)=O)c1	48
+CN(C)C(=O)CCc1cc(c[nH]1)CCCC	1857
+CN(C)c1ncc([N+]([O-])=O)cc1C(O)=O	43
+CN(C)c1ccnc(CO)c1	264
+CN(C)c1c(cnn1C)[N+](=O)[O-]	959
+CN(C)c1nc(nc(Cl)c1)Nc2ccccc2	54
+CN(C)C(c1cccc(c1)Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)=O	115
+CN(C)CCC(=O)c1c([nH]c2ccccc12)C	1644
+CN(C)Cc1cccc(-c2sc3ncc(C#N)c(c3c2)Cl)c1	48
+CN(C)Cc1cnc2ccc(c(c2c1)CC(=O)OC)Cl	619
+CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O	224
+CN(C)c1nc2ccccc2n3c1nnc3CC	8590
+CN(C)c1cc2c(c(O)ncc2)cc1	34
+CN(C)C(C1C(=O)Nc2ccccc2C1)=O	2561
+CN(C)CCOc1c2c(ncnc2Nc3cc(c(OCc4cc(F)ccc4)cc3)Cl)ccc1	53
+CN(C)c1cncc(n1)Cl	317
+CN(C)C(c1cc(cc(I)c1)Br)=O	30
+CN(C)Cc1cc2c(occ2CC(OC)=O)cc1	131
+CN(C)C(=O)c1n[nH]c2cc(Br)ccc12	147
+CN(C)CCN1C(N2C(C)(C1=O)Cc3c([nH]c4ccc(cc34)OCC)C2c5cc(ccc5)O)=O	28
+CN(C)C(c1ccc2c(oc(CCCCN)c2)c1)=O	3479
+CN(C)C(=O)c1ccc2NC(=S)Oc2c1	30
+CN(C)C(COc1ccc2CCN(c3nc(nc4CS(Cc34)=O)Cl)c2c1)=O	731
+CN(C)c1c([N+](=O)[O-])ccc(n1)Cl	43
+CN(C)Cc1cc(c(OCC)cc1)[N+](=O)[O-]	171
+CN(C)C1=C(C(C1=O)=O)Nc2ccc3c(c2)c(Nc4cc(ccc4)Br)ncn3	8591
+c1cc(ccc1)-n2nc(C(OC)=O)c(C(=O)N(C)C)n2	777
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCC(CC4)C(N(C)C)=O	10
+c1cc(ccc1)CN2CCN(CC2)c3nccc4ccc(N(C)C)cc34	202
+c1cc(ccc1)CNC2CCC(CC2)CNc3cc(N(C)C)c(C)c[n+]3[O-]	3689
+c1cc(ccc1)COC(=O)CCCCN(C)C	8592
+c1cc(ccc1OCC(O)CN(C)C)Br	170
+c1cc(ccc1C(Nc2ccc(cc2)CNc3nc(N(C)C)nc4ccc(cc34)I)=O)F	549
+c1cc(ccc1C(N(C)C)=O)CNC(N2C(C)CN(c3ccc(c(Cl)c3)C#N)C(C)C2)=O	30
+c1cc(ccc1C)NC(CC2(NC(Nc3cccc(c3)OC)=O)C(N(c4ccccc24)CCN(C)C)=O)=O	61
+CN(C)c1ccc(cc1[N+](=O)[O-])C(N2CCC(CC2)c3ccc(cc3)-c4cnn(c4)C)=O	34
+c1cc(ccc1CN(C)C)I	131
+c1cc(ccc1CCNc2c3c(ncn2)cc(cc3)OCCCN(C)C)NC(Nc4ccccc4)=O	53
+c1cc(ccc1CN(C)C)[N+]([O-])=O	171
+CN(C)C(CON(C(=O)C=C1C(OC(C)(C)O1)=O)Cc2ccc(cc2)F)=O	10
+c1cc(ccc1CN2C(c3c(cnc(C(=O)N(C)C)c3CC2)OC)=O)OC	147
+c1cc(ccc1CN(C)C)CNC(=O)C	171
+CN(C)c1ncnc2c1cc(-c3ccc(cc3)F)cc2	54
+CN(C)C(C(NC(C)(C)C=1N(C)C(C(=C(C(NCc2ccc(cc2)F)=O)N=1)O)=O)=O)=O	8593
+CN(C)CCC(N1CC(COc2nc(-c3ccc(cc3)N4CCOCC4)cc5nccnc25)OCC1)=O	2454
+CN(C)C(C(c1ccc(cc1)NC(=O)C)=O)CC	8594
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3CCCC(c4ccccc34)NC(CN(C)C)=O	224
+CN(C)c1nc(nc(Nc2ccc(cc2)C)c1)N	54
+c1cc(ccc1OCCN(C)C)C(=C(c2ccc3c(cc(Cl)o3)c2)CC)c4ccc(cc4)O	53
+c1cc(ccc1OC)S(=O)(=O)N(C)C	92
+c1cc(ccc1OCC(CN(C)C)O)Nc2ncnc(Nc3cccc(c3)C)c2	170
+CN(C)C(C(C)CCn1c(COc2ccc(cc2)Cl)nc3c(C)cccc13)=O	58
+c1cc(ccc1S(=O)(=O)N(C)C)F	92
+CN(C)CC(O)c1cc(ccc1)NS(=O)(=O)c2ccc(cc2)-c3ccc(F)cc3F	170
+c1cc(ccc1-n2nc3c(c2CN(C)C)C(=O)N(C(N3Cc4c(F)cccc4F)=O)c5cccc(c5F)OC)[N+](=O)[O-]	596
+c1cc(ccc1[N+]([O-])=O)CCS(=O)(=O)N(C)C	8595
+CN(C)c1ncc(C(OC)=O)cc1	43
+CN(C)C(c1ccc(Cl)nc1)=O	1558
+CN(C)c1ccc(cn1)Br	361
+CN(C)CC1CC1c2ccc3c([nH]cc3)c2	61
+CN(C)C(COc1cc(ccc1)I)=O	10
+c1cc(ccc1)C(=O)N2CCN(CC2)c3c(nnc(N(C)C)c3)-c4ccccc4	212
+CN(C)CCOc1cc(-c2ccccc2)on1	28
+c1ccccc1C=2c3c4c(c(OCC)cc3CC(CNC(=O)CN(C)C)(C)N=2)OC(C)(C)C4	224
+c1ccccc1CCNc2c3c(ncn2)sc(C(N(C)C)=O)c3	867
+CN(C)C(=O)C(NC(=O)OCc1ccccc1)CO	10
+CN(C)C(=O)C1Cc2ccc(cc2NC1=O)NC(=O)OCc3ccccc3	2561
+C1C(CC1C(=O)N(C)C)n2cc(c3c(N)ncnc23)-c4cccc(c4)OCc5ccccc5	10
+c1ccccc1COc2c3n(CCOC)c(C)nc3cc(C(=O)N(C)C)c2	30
+CN(C)C(=O)c1cc(C=C)ccc1OCc2ccccc2	30
+c1ccccc1Cn2c3nc(N(C)C)nc(N)c3nc2	117
+c1ccccc1Oc2cccc(Oc3ccccc3)c2C(=O)N(C)C	115
+CN(C)c1nccc(-c2c(nc3ccccn23)C(=O)OCC)c1	361
+CN(C)c1nc2n(ccc(Br)c2)n1	3858
+CN(C)Cc1onc(n1)-c2c3n(cn2)-c4c(c(ccc4)Cl)C(N(C)C3)=O	960
+CN(C)C(Cc1c(Cl)cc(OCCC2C(C3CCN(CC3)c4ncc(cn4)COC)C2)cc1)=O	10
+CN(C)c1ccc(cn1)-c2nc3ccc(OC)cn3c2	361
+c1(c(c(Cl)ccc1CNC(c2c(Cl)c(C(=O)NC)c[nH]2)=O)Oc3cc(Cl)cc(C#N)c3)F	658
+CNC(C(=NO)c1c(cccc1)C)=O	8596
+O=S(=O)(N(C)CCC#Cc1cccc(CF)n1)c2c(cccc2)Cl	92
+N1C(NC2C(CCCCC(=O)N(C)CCCCCC(OC)=O)SCC12)=O	10
+S(=O)(C)COc1cccc(CNC)c1	2978
+O=S(=O)(N(Cc1cc(Cl)c(cc1)Br)C)C	112
+Clc1cc(ncc1)-c2cc(cc(n2)CN(Cc3ccccn3)C)O	1309
+Clc1ccc2cnc(cc2c1CC(OC)=O)C	8597
+n1c(OC)c(nc2cc(cc(C)c12)F)OC	8598
+c1(nc(OC)c(c(n1)Cl)SC)OC	2901
+c1ccccc1C=Cc2cc(OC)nc(OC)n2	2901
+O(C)c1nc(ncc1OC)Cl	145
+c1(C(=O)OC)cccc(Br)c1OC	47
+O(C)c1cc(CCNC(C)=O)c2c(ccc(OC)c2)n1	1155
+c1cc(cc2nc(c(nc12)Cl)OC)OC	1534
+COc1cccc(c1)C2(CC)C(=O)N(CCCC2)CCO	1745
+C[Si](C)(C)OC(c1csc(C)n1)C(=O)OC	8599
+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC)(OC1CO[Si](C)(C)C)c2ccc(Cl)c(Cc3ccc(cc3)OCC(F)F)c2	2979
+C[Si](C)(C)OCC1OC(c2cc(c(cc2CCCOCC#CC)Cl)Cc3ccc(cc3)OCC)(C(C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)OC	8600
+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(C(OC)(OC1CO[Si](C)(C)C)c2cc(c(Cl)cc2)Cc3ccc(cc3)COC4CC4)O[Si](C)(C)C	2979
+C[Si](C)(C)c1c(cc(c(F)c1F)C(=O)OC)Br	128
+C[Si](C)(C)c1ccc(c(F)c1)Nc2c(ncc(Cl)n2)C(OC)=O	128
+Cc1c2n(NC(=NC2=O)c3cnc(OC)cc3)c(C)n1	91
+C(c1ccc(c(c1)F)Cc2c(NCCCCC)nc(nc2C)N)C(=O)O	479
+Cc1nc(nc(c1CC(OC)=O)O)S	27
+Ic1cc([nH]c1)C(=O)OC	4544
+c1cc(ccc1-c2c(-c3ccccc3)c4CCCn4c2C(OC)=O)Cl	8601
+c1(ccc(cn1)C(=O)OC)COC	2702
+c1cc(ccc1Cl)-n2c(c(nc2CC(OC)=O)Br)-c3c(cccc3F)F	8602
+Clc1c(cc(F)c(C)c1[N+](=O)[O-])C(=O)OC	47
+C(=O)(c1cc(Cl)c([N+]([O-])=O)cc1C)OC	47
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+Clc1cc(C(=O)OC)c(c(c1)O)C	47
+C(=O)(c1cc(I)c(C)cc1Cl)OC	47
+O(c1cc(C)nc(NC)c1[N+](=O)[O-])C	260
+COc1c2C(CCCc2nc(Cl)c1)=O	260
+Clc1cc(c(C(=O)OC)cc1)O	47
+Clc1cc(c(C(=O)OC)cc1)S	47
+Clc1cc(C(=O)OC)c2c(NCCO2)c1	47
+Clc1cc(C(=O)O)cc(OC)c1	556
+C1CC1c2c(cc(cc2Cl)NC(=NC#N)SC)Cl	2980
+c1(C(=O)O)cc(OC)nc(Cl)c1	91
+Clc1cc(Br)cc(OC)c1	57
+Clc1ccc(C(c2oc3cc(ccc3c2COC)Br)=O)c(Cl)c1	8603
+Clc1ccc(c(-c2oncc2CCC(OC)=O)c1)Cl	27
+Clc1ccc(c(I)c1)CC(OC)=O	27
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=C)=O	167
+Clc1cccc(c1)C(=O)c2c(C(=O)OC)cccn2	128
+Clc1cccc(C(O)C(OC)=O)c1	27
+Clc1cnc(Cl)c(C(=O)OC)c1	128
+O(c1ncc(Cl)cc1[N+](=O)[O-])C	91
+FC(F)(F)OCCn1cc(c2c(cccc12)Br)C(=O)O	2981
+c1(c2c(C)ccc(F)c2n(CCOC)c1)C(=O)O	2981
+c1c(Br)c2c(c(c[nH]2)C(=O)O)c(F)c1	2981
+FC(F)(F)C=1N(C(=O)N(C(C=1)=O)c2cc3c(cc2)snc3-c4c(COC)ccs4)C	8604
+FC(F)(F)CN=C(N)Nc1nn(CCCCC(=N)OC)cn1	1664
+FC(F)(F)COc1cc(ccc1[N+]([O-])=O)CC(OC)=O	1643
+Cc1cc(cc(C)c1Cc2ccc(c(c2)C(C)C)OCOC)C(OC)=O	2982
+C1CC(CCN1CCC)c2cccc(C(OC)=O)c2	2982
+C1CC(CCN1Cc2ccccc2)(c3cc(OC)ccc3)c4ccc(cc4)C(OC)=O	2982
+FC(F)(F)c1c(-c2cc(on2)CC(=O)OC)ccc(C3CC3)c1	167
+FC(F)(F)c1c(C(C(OCC)C(OC)=O)O)ccc(OCc2ccccc2)c1	4545
+FC(F)(F)c1c(F)cc(cc1)CC(OC)=O	27
+FC(F)(F)c1c(OC)cc(cc1)C(=O)O	57
+FC(F)(F)c1c(OC)nc(c(c1)-n2c(ccc2C)C)C(=O)OC	226
+FC(F)(F)c1n(nc(-c2cc(c(cc2F)[N+]([O-])=O)OC)c1Cl)C	57
+FC(F)(F)c1c(c(C=O)cc(-n2c(nc(c2)C)C)c1)N	1179
+FC(F)(F)c1cc(ccc1C)C(OC)=O	47
+FC(F)(F)c1c(ccc(NC(Nc2c(cc(cc2)Oc3ccnc(C(=O)OC)c3)F)=O)c1)Cl	226
+FC(F)(F)c1cc(ccc1CC(OC)=O)Cl	27
+FC(F)(F)c1cc(Nc2nc(cc(COC)c2)Br)ncc1	149
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+FC(F)(F)c1cc(C(=O)OC)cc(c1)[N+](=O)[O-]	47
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+FC(F)(F)c1ccc(N)c(c1)C(=O)OC	47
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(cc2)CC(=O)OC	27
+FC(F)(F)c1ccc2c(c1)cc(C(=O)OC)[nH]2	226
+FC(F)(F)c1cccc(-c2nc3c(cc(cc3)Br)c(C(=O)OC)c2C)c1	128
+FC(F)(F)c1c(c(C(OC)=O)ccc1)C	47
+FC(F)(F)c1cccc(c1)Oc2cc(Cl)ccc2C(OC)=O	47
+FC(F)(F)c1ccccc1CNC(=O)C2CCN(CC2)c3nc(nc(N4CCN(CC4)C)n3)OC	2221
+FC(F)(F)c1n(nc(-c2c(cc(c(c2)[N+](=O)[O-])OC)F)c1Cl)C	57
+FC(F)(F)c1nn2c(c(ccc2OC)C=O)c1	8605
+FC(F)Oc1c(c(nn1C)-c2ccc(c(c2)COC)Cl)Cl	149
+Fc1cc(c(F)cc1C)C(OC)=O	279
+c1c2c(cc(-c3cc(c(NC(N)=O)[nH]3)C(=O)N)cc2)ccc1	8606
+Clc1cc(cc(Cl)c1C#N)NC(SC)=NC#N	2980
+O=S(=O)(c1ccc(cc1)NC(SC)=NC#N)N	2980
+N#Cc1cc(F)c(cc1F)CC(OC)=O	27
+N1(C=CC=C(C1=O)C(=O)NC(CC(OC)=O)c2sccc2)Cc3ccc(F)c(F)c3	27
+N1(c2ncc(cc2C(Nc3c1nc(cc3C)Cl)=O)CCO)CC	1745
+N1=NN(c2cccc(Br)c2COC)C(=O)N1C	149
+COC=1N=C2N(C=CC=C2)C(C=1Br)=O	8607
+O(C(=O)C1CCCCC1N)C	27
+Nc1c(c(c(C(=O)OC)cc1)C)[N+]([O-])=O	128
+Nc1c(c(cc(c1)C(=O)OC)O)I	128
+Nc1c(c(C(=O)OC)ccc1)Br	47
+Nc1c(c(C(=O)OC)ccc1)F	47
+Nc1c(C(=O)OC)ccc([N+]([O-])=O)c1	128
+Nc1c(cccn1)C(=O)OC	342
+Nc1c(ccnc1)C(=O)OC	128
+Nc1c2CCOc2c(cc1Cl)C(=O)OC	128
+Nc1cc(ccc1F)C(=O)OC	128
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+Nc1cc(C(=O)OC)c(cc1)O	47
+Nc1cc2CCCC(c2cc1)C(OC)=O	27
+Nc1ccc(cc1[N+]([O-])=O)C(=O)OC	47
+O=S(=O)(N(CCNc1cccnc1C(OC)=O)C)C	3662
+c1(N)nc(ccn1)-c2c(c3cc(ccc3s2)Cc4cc(C(=O)O)ccc4)C	1983
+O(C)c1cc(cc(OC)c1OC)CC(=O)O	479
+c1(OCCCCC(=O)O)c(c(O)c(cc1)C(c2c(O)cccc2)=O)CCC	8608
+c1(cccc(Cl)c1Nc2cscc2CC(O)=O)Cl	479
+c1(C(=O)O)cc(ccc1)-c2ccc3COB(c3c2)O	1983
+c1c(cc(c(c1)CC(=O)O)F)Br	479
+c1c(cc(c(c1)CC(=O)O)OC)Br	479
+c1cc(ccc1)CN2c3nc(nc(N)c3NC2=O)CC(OC)=O	2418
+c1cc(ccc1CC(=O)O)Cc2c(C)nc(N)nc2NCCCCC	479
+c1cc(ccc1C(C(=O)O)C)CC=C(C)C	479
+c1ccccc1COc2c(ncc(OCc3ccccc3)c2)C(=O)O	2828
+C1CC(CCO1)(c2cnc(nc2)C)C(=O)O	479
+c1ncncc1Oc2cc(C(=O)O)nc(C)c2	2828
+n1(-c2cc3CC(Cc3cc2)C(=O)O)c(C)nc4cnccc14	479
+c1cnn(n1)-c2c(cccc2F)C(=O)O	1983
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+O(C)c1cc(cc(OC)c1)C=C(C(OC)=O)c2ccc(cc2)O	3261
+O1C(CCC1CCCCCCCC(=O)OC)CCC(O)(CCCCC)C	27
+O1C(c2c(cc(cc2)CCO)C1)=O	1745
+c1cc(ccc1C(=O)OC)C(C)CCOC2CCCCO2	2656
+c1(c(cc(Cl)c(c1)C(=O)O)Cl)OC	57
+c12ccccc1c(cc(n2)C(=O)O)C(OC)=O	47
+O(C)C(=O)c1ccc(c(c1N)OC)OC	47
+c1c([N+]([O-])=O)c(c(c(F)c1C(OC)=O)F)N	128
+C1C2C3C(CCC2(C(=O)C1)C)c4c(CC3)cc(c(C(OC)=O)c4)OC(=O)C	128
+O=C1Nc2c(cccc2)CC1CC(=O)OC	167
+O=Cc1cc(cc(C)c1O)C(=O)OC	47
+O=Cc1cc(ccc1O)C(=O)OC	47
+c1(nc2c(cc1C=O)cc(Cl)c(OC)c2)OC	1155
+O=Cc1ccc(-c2ccc(cc2F)F)c(F)c1OC	57
+O=Cc1ccc(cc1O)C(=O)OC	128
+O(C)c1cnc(c(Cl)n1)C=O	799
+O=S(=O)(C)Nc1c(c(ccc1)CC=O)C	8609
+O=S(=O)(C)c1ccc(Oc2cc3cc([nH]c3c(O)c2)C(=O)OC)cn1	128
+O=S(=O)(C)c1ccc(Oc2cc(OC)c3c(cc(C(OC)=O)[nH]3)c2)cn1	2824
+O=S(=O)(C)c1cccc(c1)-c2ccc(-c3cc(nn3-c4ccccc4Cl)CC(OC)=O)s2	1838
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCO	1745
+O=S(=O)(c1cc(C(OC)=O)c(O)cc1)C2CC2	47
+C1CCC1S(=O)(=O)c2ccc(Br)c(c2)OC	57
+O=S(=O)(CC)c1ccc(Br)c(OC)c1	57
+O=S(=O)(Nc1ccc(c(c1)C(OC)=O)F)CCC	47
+O=S(=O)(N)c1ccc(c(C(=O)OC)c1)O	128
+O=S(=O)(NC)c1ccc(c(C(OC)=O)c1)OC	1668
+O=S(=O)(NC)c1cc(c(O)cc1)C(=O)OC	128
+Fc1cccc(F)c1NS(=O)(=O)c2nn3c(n2)c(ccc3OC)OC	8610
+O=S(=O)(c1nc2nc(cc(n2n1)OC)C)Nc3c(ccc(C)c3Cl)Cl	8611
+c1c(C)c(c(cc1C)C)CC(NC2(CCN(CC2)OCC)C(OC)=O)=O	1838
+O=S(=O)(c1c(ccc(c1)C(OC)=O)Br)Cl	47
+O=S(=O)(N)c1cc(cc(C)c1OC)[N+]([O-])=O	57
+O=S(=O)(Nc1ccc(C(OC)=O)c(c1)O)c2cc(ccc2)-c3cc(OCC)ccc3	47
+O=S(=O)(c1ccc(nc1)C=Cc2ccc(cc2F)F)c3cccc(c3)C=O	1179
+O=S(=O)(c1cc(CC(=O)OC)ccc1)C	27
+O=S(=O)(c1ccc(cc1)NC(=O)Nc2cccc(C(=N)OC)c2)NCc3c(c(ccc3F)F)F	3703
+O=S(=O)(c1cnc(Oc2cc3c([nH]c(c3)C(=O)OC)c(O)c2)cc1)C	128
+O=S(=O)(Nc1cncc(Cl)c1O)c2cnc(OC)c(Br)c2	91
+c1([N+]([O-])=O)cccc(c1C#N)OC	1118
+c1cc2[nH]c(cc2cc1)C(OC)=O	226
+c1ccccc1C=2c3c(ccc(Cl)c3)-n4c(nnc4CN=2)CC(OC)=O	4471
+c1cc(ccc1I)C(C)C(OC)OC	8612
+O(C)C(OC)(CC(=O)Nc1cccc(OCc2ccccc2)c1)C	8613
+Oc1c(CC(OC)=O)cccc1	27
+Oc1c(ccc(c1)C(CCCC(OC)=O)=O)O	27
+C(c1cccc(C)c1O)(=O)OC	47
+c1(c(cc(c(C)c1)C(=O)O)[N+]([O-])=O)OC	1118
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+[N-]=[N+]=NC(CCCCOCc1cc(C)c(F)cc1)C(OC)=O	167
+C(C(=O)OC)(C)c1ccc2Sc3c(cc([N+]([O-])=O)cc3)CC(=O)c2c1	27
+O(c1cc[n+]([O-])c(CCC)c1)C	1210
+COc1c2c([nH]cc2)ncc1	3876
+[nH]1nc(C(=O)OC)c([N+](=O)[O-])c1	226
+[nH]1nc(cc1)C(=O)OC	226
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+c1(C)cc(C)c(c(OC)n1)C#N	91
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+O=Cc1ccc(Br)c(F)c1OC	57
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+O=Cc1ccc(NC)nc1	8614
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+COc1c(Br)c[n+]([O-])c(c1C)C	1210
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+c1(C(=O)OC)c[nH]c2c(ccc(F)c12)Br	342
+c1(OC)cc(cc(Br)c1)C(=O)O	2983
+c1c([N+]([O-])=O)cc(N)cc1C(=O)OC	47
+c1c(cc(cc1C(=O)OC)O)Br	47
+c1c([N+]([O-])=O)cc(cc1C(=O)OC)O	47
+c1c(Br)c(Cl)ccc1C(=O)OC	47
+c1c(Br)c(F)ccc1C(=O)OC	128
+c1c(Br)c(ccc1C(=O)OC)O	47
+c1c2CCCC(c2ccc1C(=O)OC)=O	47
+C(c1c(cc(C)c(Br)c1)O)(=O)OC	47
+COc1nc(cc(C)c1C(=O)OC)Cl	91
+Cc1cc(cc(C)c1O)CC(OC)=O	27
+c1c(OC)ccc(c1C)C	1668
+c1c(C)nc(cc1-c2nc(O)c3c(cc(cc3OC)F)n2)C	1111
+c1c(CC(O)C(OC)=O)cc(Br)c(c1)O	1643
+COc1cc(cc(F)c1[N+]([O-])=O)Br	57
+c1(ncn(-c2c(F)cc([N+]([O-])=O)cc2OC)n1)C	57
+c1c(F)c(c(cc1[N+](=O)[O-])F)N2CCC(CC2)(COC)O	850
+Nc1cc(c(cc1F)C#N)OC	57
+c1(cc(cc(F)c1)-c2c(c(C)c(cc2C(C)O)Cl)C(=O)O)F	4547
+c1c(Nc2c(c(OC)cc(c2F)F)[N+](=O)[O-])c(F)cc(I)c1	57
+c1c(OC)c(Cl)ccc1C(=O)OC	128
+c1c(OC)c(cc(c1)C(=O)OC)O	47
+c1(OC)cc(Br)cc([N+]([O-])=O)c1	1118
+c1(OC)cc(ccc1[N+]([O-])=O)O	57
+c1c(c(O)c(Br)cc1Br)CC(OC)=O	27
+O1Cc2c(ccc(c2OC)Br)C1=O	8618
+c1c(CC(OC)=O)c(c(Cl)cc1)C	167
+c1c(cc(C)c(C(=O)OC)c1)Br	47
+c1c(cc(OC)c(c1)C#N)Br	57
+c1c(cc(c(C(=O)OC)c1)O)Br	47
+c1c(cc([N+]([O-])=O)c(C(=O)OC)c1)Br	47
+c1c(cc(C(=O)OC)c(F)c1)F	47
+c1c(cc(c(Nc2c(C(=O)OC)cnc(OC)c2F)c1)F)Br	91
+c1c(cc(c(Nc2nc(ccc2C(=O)OC)Cl)c1)F)Br	342
+c1c(cc(c(Nc2c(C(=O)OC)cnc(Cl)c2F)c1)F)Br	128
+c1c(cc(c(Nc2c(C(=O)OC)ccc(OC)n2)c1)F)Br	91
+O(C)c1c(CCCO)cc(C(=O)OC)cc1OC	128
+c1c(cc(C(=O)OC)c(c1)O)F	47
+c1c(cc(cc1[N+]([O-])=O)C(=O)OC)I	128
+c1c(cc2c(n[nH]c2c1)C(=O)OC)Br	226
+c1c(cc2c(c[nH]c2c1)CC(OC)=O)Br	167
+c1c(cc2c(c[nH]c2c1)CCC(OC)=O)Br	167
+c1c(cc2ccc(OC)nc2c1)Br	1155
+c1c(ccc(-c2oncc2CCC(OC)=O)c1F)F	27
+c1c(CC=O)ccc(C#N)c1OC	2984
+c1c(ccc2oc(C(=O)OC)cc12)O	8619
+c1c(cnc(c1F)C(=O)OC)F	128
+n1cc(Cl)c(cc1OC)-c2cc(cnc2N)F	91
+c1(ccc(F)c(Br)n1)C(=O)OC	226
+c1ccc(C(OC)=O)nc1-c2nc(Br)ccc2	226
+c1(nc(ccc1)C)C(=O)OC	226
+COc1nc(nc(C(=O)OC)c1)Cl	145
+c1(ccc2c(ccs2)n1)C(=O)OC	226
+COc1nnc(-n2nc(cc2-c3ncccc3)C(=O)OC)cc1	485
+c1c(oc(c1)C(=O)OC)C	128
+c1c(oc2c1cc(cc2)C(=O)OC)CC	47
+c1c2c(ccc1OC)cc(C(=O)OC)c(n2)-c3ccsc3	8620
+c1(c(CC)cccc1)CC=O	2984
+c1cc(ncc1Br)CS(=O)C	8621
+c1cc(O)c(nc1)C(=O)OC	226
+C(C=O)c1ccc(c(c1)F)C#N	2984
+c12cccc(OC)c1cccc2N	1668
+c1ccccc1-c2c(c(C(OC)=O)c3c(cccc3)n2)C	279
+c1ccccc1-c2c(C(=O)OC)ccc(c2)Br	47
+c1cc(ccc1)-c2nc(c(c(C)n2)C(C(OC)=O)CCC)O	27
+c1cc(ccc1)C(C2CCCC2)C(=O)OC	27
+c1cc(ccc1)C(C(=O)OC)C2CCCCC2	27
+c1ccccc1C2N(C(CC2C(OC)=O)=O)C	167
+c1ccccc1COc2ccc(c(CC)c2)C(C(OCC)C(=O)OC)O	4545
+CC1(C)C(N(Cc2ccccc2)C(CO1)C(=O)OC)=O	167
+c1cc(ccc1)CN2N=CC(Cl)=C(C2=O)OC	8622
+C1CN(CCC1CNc2nccnc2OC)C(OCc3ccccc3)=O	799
+c1cc(ccc1)COc2c(Cc3c(OC)c(c(OC)c(c3C)OC)OC)cccc2C(=O)OC	128
+c1cc(ccc1)CN2c3c(c(nc(N(C)C)n3)N)NC2=O	8623
+c1cc(ccc1)S(=O)c2ccc(nc2)OC	640
+c1cc(ccc1)Sc2c(cc(cc2)Br)C(OC)=O	47
+c1cc(ccc1Cl)-c2c(C(O)C(OC)=O)c(C)nc3[nH]c(c(C)c23)C	27
+c1cc(ccc1C)-c2cc(C(=O)OC)cc(c2)[N+]([O-])=O	47
+c1cc(ccc1-c2ccc(N)cc2C)C(OC)=O	47
+c1cc(ccc1-c2oc3c(cc(c(c3)N(c4cc(CC(=O)OC)c([N+](=O)[O-])cc4)S(=O)(=O)C)C5CC5)c2C(NC)=O)F	167
+c1cc(ccc1-c2oc3cc(c(cc3c2C(NC)=O)OC(C)C)CC(OC)=O)F	27
+c1cc(ccc1[N+]([O-])=O)-n2c(COC)nc(-c3c(noc3C)-c4ccccc4)c2	2130
+c1cc(ccc1Br)C2CC(CC2)(N)C(=O)OC	27
+c1cc(ccc1-c2nc3n(cc(cc3)C)c2)C=O	1179
+c1cc(ccc1CC(=O)OC)C#N	27
+c1cc(ccc1C=O)NCCCCCCCCCCCCCCCC	1179
+c1cc(ccc1C(=Cc2ccc(F)c(c2)C)C(OC)=O)O	2985
+c1cc(ccc1-c2ccc(N)nc2)C(OC)=O	47
+c1cc(ccc1C(C)(C)C(OC)=O)O	27
+c1cc(ccc1C(C)(C)CC(OC)=O)OC	167
+CC(C)(C(OC)=O)CC(=O)c1ccc(cc1)Br	167
+c1cc(ccc1C(CCCC(=O)OC)c2cccnc2)CCNS(=O)(=O)c3ccc(cc3)Cl	27
+c1cc(ccc1C(NC(C(=O)O)CCCC(=O)OC)=O)F	167
+c1cc(ccc1C(OC)=O)-c2ccc(N)nc2C	47
+c1cc(ccc1CCCCCCCCCCCC)C(OC)=O	47
+c1cc(ccc1C(=O)OC)OCCCCCCOC	176
+c1ccccc1C(c2ccc(cc2)Br)C(OC)=O	27
+c1cc(ccc1-c2nc(OC)cc(n2)C)C	145
+c1cc(ccc1C=CC(=O)OC)C	2985
+c1cc(ccc1Oc2ccccc2C(=O)OC)C	47
+n1c(sc(-c2occc2)c1)Cc3c(Cl)ccc(C4OC(COC)C(C(O)C4O)O)c3	8624
+c1cc(ccc1C2C(C2)C(=O)O)Cl	8625
+c1cc(ccc1C=C(C)C(OC)=O)O	8626
+c1cc(ccc1C=CC(C(=O)OC)=O)-c2cc(OCC)ccc2	4546
+c1cc(ccc1C=CC(=O)OC)Cl	2985
+c1cc(ccc1COC)CC(=O)O	149
+c1cc(ccc1CC(=O)OC)CC(=O)NCCCc2c(nc(N)nc2C)NCCCCC	167
+c1cc(ccc1O)CC(C#N)C(OC)=O	167
+c1cc(ccc1CC(C(=O)OC)NC(C)=O)Br	27
+c1cc(ccc1CC(=O)OC)S(=O)(=O)C	167
+c1cc(ccc1CCC(=O)OC)F	167
+c1cc(ccc1CCNc2nc(nc(CO)c2)OC)OC	482
+c1cc(ccc1CC(OC)=O)CN(CCCN2C(Nc3c(nc(nc23)OCCCC)N)=O)CCCO	27
+c1cc(ccc1CNC(=O)c2c(O)c3c(nc2)c(cc(I)c3)OC)Cl	4548
+c1cc(ccc1COC(N2CC(O)CC2C(OC)=O)=O)OC	167
+c1cc(ccc1Cc2cccc(C(=N)OC)n2)Cl	4549
+c1cc(ccc1C(CO)=O)Cl	8627
+c1cc(ccc1CN2C(=O)C(OC)=NN(c3c(CO)cccc3)C2=O)Cl	4550
+c1cc(ccc1Cl)CN2C(C(=NN(C2=O)c3cc(NC(C)=O)ccc3)OC)=O	4550
+c1cc(ccc1Cl)S(=O)(=O)N2CCCC(Nc3nccc(-c4n5c(scc5)nc4-c6cccc(C(N)=O)c6)n3)C2	8628
+CC1(C)OC1(OC)c2ccc(cc2)F	2636
+c1cc(ccc1CN(C(CC(=O)C(OC)=O)=O)OC)F	2935
+c1cc(ccc1F)CNC(=O)c2c(O)c(OCc3ccccc3)c(C(=O)OC)nc2	226
+c1cc(ccc1F)CNC(c2cnc(c(c2O)OC)C)=O	1810
+c1cc(ccc1N)C(CCC(OC)=O)=O	167
+c1cc(ccc1CCCc2ccc(cc2)N)Nc3c(cccc3)C(OC)=O	47
+c1cc(ccc1OCCCCCCOC)N2CCN(CC2)C(=O)C	176
+c1cc(ccc1Nc2nc(-c3nc(ccc3)OC)nc4ccccc24)Cl	640
+c1cc(ccc1Nc2c3c(cc(OC)c([N+]([O-])=O)c3)ncn2)Oc4ccccc4	724
+c1cc(ccc1O)-c2ccc(cc2)C(OC)=O	47
+c1cc(ccc1O)C(N)CC(OC)=O	27
+c1cc(ccc1O)CCCCCCCCC(OC)=O	27
+c1cc(ccc1OC)-c2nc(OC)nnc2-c3ccc(cc3)OC	8629
+c1cc(ccc1OC)-c2c(oc(n2)OC)-c3ccc(cc3)OCc4ccccc4	8630
+c1cc(ccc1CNc2cccc([N+]([O-])=O)c2C)Oc3ccc(cc3)CCC(OC)=O	167
+c1cc(ccn1)-c2cn(nc2-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F)C5CCN(CC5)C	2690
+c1cnccc1-c2c(nc(N)nc2-c3cc(F)ccc3)OC	145
+c1cc2c(CC(NC2)C(OC)=O)cc1F	27
+c1cccc(-c2cc([N+]([O-])=O)cc(C(=O)OC)c2)c1OC	47
+c1ccccc1-c2c(OC)ncc([N+](=O)[O-])c2	640
+c1ccccc1C(C)N2C(=O)CC(CC=C)(C2)COC	2868
+c1ccccc1C(=O)Nc2cc(c(cc2)OC)[N+](=O)[O-]	57
+c1ccccc1C(c2ccccc2)(C)C(C(=O)N)O	8631
+c1cc(ccc1)C(c2ccccc2)C(=O)OC	167
+c1ccccc1C(c2ccccn2)C(OC)=O	4473
+c1ccccc1C(C)n2c3nc(ncc3c(c2C)C(=O)NCc4c(cc(nc4O)C)C)OC	482
+C1CNCCC1(C(OC)=O)c2ccccc2	167
+c1ccccc1C=2c3cc(Br)ccc3C(=O)OC=2C(=O)OC	8632
+c1ccccc1CC(C(OC)=O)O	27
+c1ccccc1CCC(N)C(OC)=O	27
+c1ccccc1CCCCCC(OC)=O	27
+c1ccccc1CCCCCCC(C(=N)OC)O	1664
+c1ccccc1CN2CCc3nc(Cl)nc(OC)c3C2	145
+c1ccccc1COC(N2CCC34CCCCC3C2Cc5cc(c(cc45)O)OC)=O	669
+CC(C)CC(NC(=O)OCc1ccccc1)C(COC)O	850
+c1ccccc1COC(NCC(C(=O)OC)C)=O	27
+c1ccccc1COC(NC(CN)C(OC)=O)=O	27
+c1ccccc1COc2c3c(cc(Cl)c2)oc(-c4nc5n(nc(OC)s5)c4)c3	2867
+c1ccccc1COc2c3cc(oc3ccc2)-c4nc5n(c4)nc(OC)s5	2867
+c1ccccc1COc2c3n(CCOC)c(C)nc3cc(c2)C(=O)OC	47
+c1ccccc1COc2ccc(cc2)N3C(CC(C(=O)OC)C3)=O	167
+c1ccccc1COc2ccc3n(ccc3c2)CCC(OC)=O	167
+c1ccccc1Cc2cccc(C(=N)OC)n2	4549
+c1cc(ccc1)S(CC2CC(=O)N2)=O	8633
+c1cnccc1-c2c(-c3ccc(cc3)OCc4cc(OC)c5ccccc5n4)nn(c2)C	260
+c1cnccc1CNc2nc3c(c(N)n2)nc(OC)n3Cc4ccc(cc4)CO	1010
+c1nc(ncc1)-c2nc(c(Oc3c(OC)cccc3)c(OC)n2)N	145
+c1nc(ncc1O)-c2cccc(C(OC)=O)c2	47
+n1c2ccccc2c([nH]1)C(OC)=O	226
+n1c(Br)sc2cc(ccc12)C(=O)OC	47
+n1cc2ccccc2cc1COC	2702
+COc1nc(nc(Cl)c1)SC	145
+c1c(CSc2nc(Cl)cc(n2)OC)c(c(F)cc1)F	145
+COc1nc(ccc1F)F	430
+COc1ncc(C)c(c1C)I	430
+n1cc(ccc1-c2ccc3cc(OC)ccc3c2)C(=O)OC	128
+o1c2c(c(c1C(CCCCOC)=O)C)cc(OC)cc2	649
+o1c2c(cc(cc2)C(=O)OC)c(c1CO)C	128
+OB(O)c1cc(OC)c(cc1)F	493
+OB(O)c1cnc(cc1)OCCCCCC	493
+COB(O)c1ccc(nc1)OCCCCCC	493
+c1c(c([N+]([O-])=O)cc(-c2cc(OCC)ccc2)c1)CC(OC)=O	1540
+c1cc(ccc1OC)-c2cc3NC(=O)C(c3cc2)C(OC)=O	8634
+c1ccc(Nc2ccc3OCOc3c2)c(C(OC)=O)c1C(OC)=O	1215
+c1ccc(c(C(OC)=O)c1C(OC)=O)Nc2c(cccc2)OC	1215
+c1c(-c2c(c(C(OC)=O)sn2)C(=O)OC)cccc1C	8635
+O=C(C(c1c2c(ccc1)ccn2CC)=O)OC	8636
+CC1(C)OC2C(O1)C(Nc3nc(nc(OC)c3I)SC)CC2CO	1522
+CC1(C)OC(CO1)c2ccc3cccc(Br)c3n2	1522
+c1cc(ccc1Br)CC2OC(C)(C)OC2	1522
+c1cc(ccc1NC(=O)C(C(OC)=O)C(C)C)I	8637
+c1cc(ccc1CCCCO)OCC2OC(C)(C)OC2	1522
+c1ccccc1COc2ccc(cc2)CC3OC(C)(C)OC3=O	8638
+CC1(C)OC2CCCCC2N1c3nc4c(s3)cc(cc4)C#N	8639
+N#Cc1c(cc2c(C(=NC3=C(C)NNC3=N2)c4c(cccc4)Cl)c1)OCCOCCOC	8640
+C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(OCC)=O	730
+c12c3c(cccc3)ncc1nc(CCC)n2Cc4cc(on4)-c5cccnc5	730
+c1cc(ccc1F)-c2noc(Cn3c(CCC)nc4cnc5cccnc5c34)c2	3838
+c1cc(ccc1F)-c2cc(Cn3c4c5ccccc5nc(Cl)c4nc3CCC)on2	730
+O=S1(=O)CC(n2c(CCl)nc3cc(cc(F)c23)Cl)CC1	8641
+COC(OC)C1(CC(c2c(c(O)c(C)c(c2O1)C)C)=O)C	2003
+c12c(cc(cc1)F)cnc(O)c2	4551
+O(C)C(OC)C1(Oc2c(c(c(O)c(C)c2C)C)CC1)C	165
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=4CC(ON=4)C(OC)OC	1820
+c1cc(ccc1-c2nn3c(c2-c4ccncc4)nccc3)F	8642
+O(C)C(OC)CN=C1c2ccccc2Nc3cc(Cl)ccc3N1	8643
+COc1nc2N(C(=O)C=Nc2cc1)CC=O	571
+c1cc(ccc1F)CN(CC(OC)OC)S(=O)(=O)c2ccc(cc2)C	92
+c1cc(ccc1-c2nc3c(cc(C4=NNC(=O)CC4CC)cc3)o2)OCC=O	571
+n1cc([N+]([O-])=O)cn1CC=O	571
+COC(OC)Cn1ncc2c1ccc(c2)Oc3ccc(cc3CN)F	107
+c1cc(cc(c1Oc2cc3cnn(c3cc2)CC=O)C#N)F	571
+CN(C)CCN(Cc1cc2c(N(C(Nc3ncc(C#N)c(NCCOC)c3)=O)CCC2)nc1C(OC)OC)C(C)=O	2861
+COC(OC)c1c(cncc1F)N	8644
+C1CC(CCC1)N(C(=O)OCc2ccccc2)c3cccc(Oc4ccc([N+]([O-])=O)c(C=O)c4)c3	1054
+COC(OC)c1c([N+]([O-])=O)ccc(Oc2cccc(N(C3CCCCC3)C(=O)OCc4ccccc4)c2)c1	1199
+COC(OC)c1c(N)c(ncc1F)C2CC2	2222
+COC(OC)c1cc(Br)c(nc1)CO	813
+c1(cc(Br)c(CO)nc1)C=O	8645
+c1cc(ccc1-c2ccc(cc2)NC(C=Cc3ccc(cc3)C(OC)OC)=O)Cl	1313
+c1cc(ccc1O)CCNc2nc(ccn2)-c3cccc(C(OC)OC)c3	96
+COC(OC)c1c[n+](c(c(Br)c1)C)[O-]	103
+O=Cc1ccnc(SC)n1	4552
+COC(OC)c1c(N2C(COCC2)=O)cc3CCCN(C(Nc4ncc(C#N)c(NCCOC)c4)=O)c3n1	2861
+O=S(=O)(OC(c1cc2c(nc1C(OC)OC)N(C(Nc3ncc(C#N)c(NCCOC)c3)=O)CCC2)C)C	7
+COC1CC(C(=O)O)COC1	4
+c1cc(ccc1Cl)C2=C(OC)N=C3C=CC=CN3C2=O	8646
+O=S(=O)(c1cnc(Oc2cc(OC(COC)COC)c3[nH]c(C(OC)=O)cc3c2)cc1)C	1346
+FC(F)(F)C1=CC(N(C(N1C)=O)c2c(cc(Cl)c3c(c(oc23)C)C(=NOC)C)F)=O	8647
+c1c([N+]([O-])=O)c(cc(c1)C(=O)OC)C=NOC	135
+Cc1ccc(C=NOC)cc1F	135
+CONC(=O)c1cc(OC)cc(C2=Cc3c(cc(nc3)NCC)N(C2=O)CC)c1	514
+c1ccc(cc1C#Cc2cncc(C=NOC)c2)OC	506
+c12c(cc(cc1)C=NOC)ncn2-c3cccc(c3)Br	135
+c1(cc(cc(Cl)c1CCC(C)=NOC)Cl)Cl	350
+c1c2ncn(c2ccc1)-c3ccc(C(=NOC)CCCC)s3	8648
+c1cc(ccc1C=CC(N(OC)C)=O)Cl	8649
+c1cc(ccc1C=NOC)F	135
+c1cc(ccc1C(C)=NOC)I	189
+c1cc(ccc1OC)C=NOC	135
+c1cc(ccc1OCC(=O)c2cccc(OC)c2)CC(OCC)C(=O)NOC	293
+c1ccc2C(=O)N(C(=O)c2c1)CC(c3ncc(OC)cc3Cl)=NOC	1213
+c1ccccc1-c2ccc(c(C=NOC)c2)CO	135
+c1ccccc1NC(=O)N(CCCCn2c3c4ncccc4nc(N)c3nc2CCC)OC	3693
+O(C)P(OC)(C(OC)C(=O)O)=O	4
+C1CC2(CCC1=CC(=O)OC)OCCO2	1513
+Fc1cc(cc(F)c1C=CC(OC)=O)NC(OC(C)C)=O	4554
+c1cc(ccc1Oc2ccccc2C=CC(=O)OC)Cl	4554
+c1(c(O)c2c(COC2=O)c(c1OC)C)CC=C(C)CP(=O)(O)OC	1560
+n1cc(cnc1C)C(CC=CC(CCc2ccc3CCCNc3n2)=O)CC(OCC)=O	1278
+COP(OC)(Cc1cc2cc(Cl)ccc2nc1C)=O	8650
+COP(OC)(CC(=CCc1c(c(c2c(C(OC2)=O)c1O)C)OC)C)=O	8651
+c1cc(ccc1Cn2c(nc(OC)n2)Br)OC	8652
+COc1c(-c2cc(ncc2F)N)ccc(c1)F	2987
+C(c1cc(OC)nc(Nc2cc(c(cn2)F)-c3c(OC)cc(cc3)F)c1)SC	346
+FC(F)(F)c1cc(CSC)cc(Nc2ncc(F)c(c2)-c3c(OC)cc(F)cc3)n1	346
+O(c1c(-c2ccnn2C)cc(C(=O)O)s1)C	1
+O(C)c1c(Br)cnc(CO)c1C	813
+c1(CO)cc(cc(C)c1OC)Br	98
+O(c1c(CO)cc(F)cn1)C	295
+COc1c(C)cc(cc1C(=O)C)F	155
+FC(F)(F)c1c(ccc(NC(=O)c2c(CCCCCCCCCCCCCCC)cccc2OC)c1)C#N	50
+C(c1c(cccc1F)OC)CC	414
+O(c1c(Cc2cc3c(s2)cccc3)cc(Br)c4c1cccc4)C	1429
+c1(c(OC)c(C)cc(c1)F)C(C)N	474
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+Clc1c(cnc(c1C(c2c(c(OC)c(cc2C)OC)OC)O)OC)Br	2988
+C(c1c(cccc1Cl)OC)C(=O)O	1746
+FC(F)(F)c1cnc(c(O)n1)-c2cc(OC)c(Cl)cc2F	2989
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+c1cc(ccc1C2CC(NC(c3cc(c(cc3)F)OC)C)CC2)CC(OCC)=O	87
+c1cc(ccc1C#N)Oc2ccc(c(c2)OC)F	46
+FC(F)(F)c1cnc(cc1)NCC2N(CC(CC2)C)C(c3cccc(c3OC)F)=O	30
+COc1c(c(C)cc(c1)Br)C#N	2223
+C12C(OCO1)CN(C2)CCOc3c(OC)cc4c(ncnc4Cl)c3	126
+C(c1ccc2c(c(OC)c(cc2c1)OC)OC)O	49
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+c1(OC)cc(ccc1O)C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O	5
+c1c(N)cc(cc1)Oc2c3c(cc(OCCOC)c(OC)c3)ncn2	185
+FC(F)Oc1ccc(c(c1OC)OCOC)Br	1548
+COc1cccc(c1N)O	0
+c1cc(ccc1C2=Cc3c(OC2=O)c(OC)c(OC)c([N+]([O-])=O)c3)Cl	8653
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+COc1c(c(OC)cc(c1OC)C=O)OC	2224
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+O(C)c1c(c(I)c(c(c1N)C(=O)N)C)F	8654
+COc1cc(cc(NC)c1N)Br	0
+c1cc(ccc1)COc2cc(F)cc(OC)c2[N+](=O)[O-]	22
+c1(c(c(N)c(OC)c(F)c1)C(=O)O)C	4555
+c1(c(cc(OC)c(c1)C(=O)O)-c2ccccc2OCC)Cl	134
+c1(cc(C(=O)O)c(cc1-c2ccccc2F)OC)Cl	134
+COc1c(cc(c(CCO)c1)F)C#N	95
+[N+](=O)(c1cc(c(cc1OC)CCN)OC)[O-]	77
+COc1c(cc(F)c(c1)CC=O)C#N	24
+c1ccccc1-c2nc3c(nc2)cc(c(OC)c3C(OC)=O)Br	8655
+c1(c(ccc(c1)C(=CC)c2ccc(OC)c(c2)[N+](=O)[O-])OC)OCC	8656
+CC(C)c1ccc(nc1OC)N	1747
+c1(NC(C)=O)c(C(=O)C)cc(c(OC)c1)CC	94
+c1ccccc1C#CC(c2ccc(c(c2OC)OC)[N+]([O-])=O)O	8657
+c1c(c(C2(O)C(=O)Nc3ccc(I)cc23)ccc1)OC	4556
+c1cc(ccc1)CN2CC3C(O)(c4c(cccc4)OC)C(CCC3C2)C	1035
+c1c(c(OC)c(Br)cc1)CO	49
+O(c1c2C(CCCc2nc(Cl)c1)O)C	652
+COc1c2CCCc2ncc1[N+]([O-])=O	1026
+Oc1c([N+]([O-])=O)cnc2CCCc12	5
+O(c1c2n(ncc2)cc(Br)c1)C	4557
+c1cc(ccc1OC2Cc3c(c(ccc3C2=O)C)OC)[N+]([O-])=O	8658
+c1cc(ccc1)S(=O)(=O)n2c3c(c(OC)ccn3)cc2	276
+c1(Cn2nc(N)c3c(cccc23)OC)ccc(OC)c(c1)F	823
+COc1c(C(c2sc3c(cccc3)c2)O)cc(c4c1cccc4)Br	2991
+COc1c2c(C#N)cnn2cc(c1)Br	4558
+COc1c(C)ccc2cnc(Cl)nc12	511
+C[Si](C)(C)C#Cc1cnn2c1c(OC)cc(-c3cn(C)nc3)c2	8659
+COc1cc(-c2cnn(C)c2)cn3ncc(I)c13	8660
+c1cc(ccc1)CSc2c(cc(Nc3cc(Cl)c(cc3OC)Br)c(c2)C=CC(=O)OCC)F	1215
+c1cc(ccc1-c2c(Cl)c3c(c(c2)OC)NC(C3=O)=O)F	11
+c1cc(ccc1CON=C(c2c(Br)cc(c(O)c2)OC)C)[N+]([O-])=O	189
+Nc1cc(OCCOC)c(OC)cc1C#N	0
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+c1c(OC)c(Cl)ccc1C(=O)O	820
+N#Cc1ccccc1Oc2c(cc(cc2)C)OC	46
+COc1cc(CSC)cc(Cl)n1	639
+Nc1c(Cl)cc(OC)c(F)c1	0
+O=S(=O)(Cl)c1c(OC)cc(c(C(=O)O)c1)OCC	240
+COc1cc(OCOC)c(cc1)C(N(OC)C)=O	280
+c1cc(ccc1OCc2ccccc2)C(c3c(OCOC)cc(OC)cc3)=O	1217
+Nc1cc(c2c(CCC(=O)N2)c1)OC	0
+Nc1cc(c(cc1)-n2cnc(CO)c2)OC	0
+Nc1cc(OC)c(C)cc1	0
+O(C)c1c(-c2sc3c(cccc3)n2)ccc([N+]([O-])=O)c1	8661
+c1cc(ccc1)-c2noc(C)c2-c3oc(-c4c(cc([N+]([O-])=O)cc4)OC)nn3	2226
+Nc1cc(c(cc1)CC)OC	0
+COc1cc([N+]([O-])=O)ccc1-n2cnc(CO)c2	431
+c1(Cl)c(cc(OC)c(I)c1)-c2cc(F)ccc2	235
+Nc1cc(ccc1-c2cc(OC)ccc2F)C(=O)OC	0
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3ccc(c(Cl)n3)-c4c(F)ccc(c4)OC	328
+c1(I)c2c(n(C3CCCCO3)n1)cc(-c4c(CC)cc(OC)c(c4)F)cc2	580
+COc1c(c(cc(c1)Br)NC)[N+]([O-])=O	60
+c1c(OC)c([N+]([O-])=O)c(cc1C#N)F	180
+COc1cc(cc2n(nnc12)C)Br	2183
+COc1cc(cc(OC)c1)-c2cccc(c2)C(Nc3c(cccc3)-c4sc(cc4)C(OC)=O)=O	50
+COc1cc(cc(OC)c1)-c2cc(ccc2)C(=O)O	6
+COc1cc(cc(OC)c1)-c2cccc(c2)C(Nc3c(cccc3)-c4sc(cc4)C(O)=O)=O	1
+c1(OC)cc(cc(OC)c1)-c2ncc3c([nH]nc3c2)I	8662
+COc1cc(cc(OC)c1)-c2c3c(cc(cc3)OC)c(Cl)nn2	218
+C1CN(CCC1N2CCN(CC2)C)c3c(cc(Nc4ncc(cn4)CCc5cc(OC)cc(c5)OC)cc3)OC	8663
+CC(C)C(c1cc(OC)cc(c1)OC)(CC2CN(CCc3cc(OC)cc(c3)OC)CCC2)C#N	3851
+O(c1cc(cc(OC)c1)C(=O)Cc2ccnc(Cl)n2)C	4559
+O(c1cc(cc(OC)c1)C(c2cc(ccc2)OC)=CC#N)C	2719
+COc1cc(cc(OC)c1)C2=CC(c3ccc(cc3O2)OCC4OC4)=O	72
+c1cc(ccc1C(C(OC)=O)=Cc2cc(OC)cc(c2)OC)Oc3ccc(cc3)CO	41
+c1cc(ccc1Oc2ccc(cc2)C=C3SC(=O)NC3=O)C(C(OC)=O)=Cc4cc(OC)cc(c4)OC	377
+O(C)c1cc(cc(OC)c1)CC[N+]([O-])=O	364
+c1c(OC)cc(cc1CN2C(=C(c3ccccc3)c4c(ccc(Br)c4)C2=O)C(=O)OC)OC	8664
+c1(OC)cc(cc(OC)c1)Nc2c(-c3nnc([nH]3)Nc4cc(OC)cc(c4)OC)cccn2	8665
+O(C)c1cc(cc(OC)c1Br)CCl	229
+c1c(OC)c(c(cc1COC2CCC2)OC)B(O)O	422
+c1(cc(cc(OC)c1C(C)C)OC)OC	1382
+C1CN(CCC12OCCO2)Cc3cc(-c4cc(OC)c(c(c4)OC)Cl)ncc3	171
+O(C)c1cc(cc(OC)c1OC)-c2nccc(CO)c2	217
+O(C)c1cc(cc(OC)c1OC)-c2ncnc(C=O)c2	501
+COc1cc(cc(OC)c1OC)C(N2CCNC(C(OC)=O)C2)=O	115
+O(C)c1cc(cc(OC)c1OC)C(=O)N(CCC2CCCN2C)CC(=Cc3ccccc3)C	8666
+c1c(OC)c(c(cc1Cc2sc3c(cccc3)c2)OC)OC	1429
+c1(cc(cc(OC)c1OC)CCC(=O)OC)OC	159
+c1(OC)cc(cc(OC)n1)CCc2cc(N)[nH]n2	4357
+c1c(OC)c(N)c([N+]([O-])=O)cc1C#N	180
+c1cc(ccc1)-c2noc(C)c2-c3nnc(o3)-c4c(OC)cc(F)cc4	2226
+Clc1ccc(C(N(c2ccc(Cl)c(OC)c2)c3nc(C(=O)O)cs3)=O)c(Cl)c1	8667
+Fc1cc(cc(F)c1F)C=2c3cc(OC)ccc3C(=O)N(c4cccc(c4)C#N)C=2	2220
+c1(cccc(Cl)c1C(c2c(cc3c(c2)C=C3C#N)OC)=O)Cl	222
+c1(cc2ccc(O)nc2cc1)N3C(c4cc(OC)ccc4C3)=O	8668
+C(c1cc(c(C)cc1)N2C(=O)c3cc(OC)ccc3N=C2)(=O)O	1
+c1cc(ccc1)CNC2CCc3c(cc(cc3)OC)C2	87
+c1ccccc1CN2CCC(CC2)NC3Cc4c(ccc(OC)c4)CC3	87
+COc1cc2CC3(C(=CC(=O)CC3)c2cc1)C	2992
+C1(O)CCC2C3=C(CCC12CC)c4ccc(OC)cc4CC3	100
+c1ccccc1C2C(=O)c3c(cc(OC)cc3)CC2	8669
+COc1cc2c(cc1)C(NCC2)C	1218
+c1(c(cc2N(CCn3ncc(c3)[N+]([O-])=O)CCc2c1)OC)OC	713
+c1(cc2NC(=O)COc2cc1)N3C(CC(NCCCCN4C(=O)C=Nc5ccc(OC)cc45)C3)=O	110
+COc1cc2N(C(=O)C=Nc2cc1)CCCC=O	24
+C(C)N(CC)C(C)CN1CCC2=C(C(=O)Oc3cc(ccc23)OC)C1	4560
+N(O)=C(CNC(C)=O)c1cccc2ccc(OC)cc12	189
+c1c(N)cc(cc1)N=C2NC(N3C(c4ccc(OC)cc4CC3)=C2)=O	0
+COc1cc2c(cc1)c(Cl)ncc2Br	137
+c1c(c(Cl)c2c(c1)C(C(CCCC)C2)=O)OC	196
+Cc1c(c(N2CCc3c(ccc(OC)c3)C2C)nc(Cl)n1)C	54
+Clc1cnc2n(c1)nc(C(=O)N3CCc4c(ccc(OC)c4)C3C)c2	147
+c1(cc2NC(=O)COc2cc1)N3CC(CC3=O)CNCCN4C(=O)C=Nc5ccc(OC)cc45	110
+COc1cc2c(cc1)c(Cl)ncc2O	8670
+C(NC(C)=O)C(O)c1c2c(ccc(OC)c2)ccc1	68
+O=Cc1c2c(ccc(OC)c2)ccc1	674
+COc1cc2c(cc1)n(cc2CC(=O)O)C	4
+COc1cc2c(cc1)nc(Cl)cc2CCNC(C)=O	68
+c1cc2nc(O)cc(C)c2c(c1OC)Cl	8671
+C1CN(CCC12OCCO2)CCc3c(OC)cc4cccnc4c3	61
+c12cc(c(cc1CC(CCCC)C2=O)O)F	5
+c12ccc(nc1cc(O)c(c2)F)C	5
+FC(F)(F)Oc1ccc(cc1)N2C(N(C(C)(C)C2=O)Cc3ccnc4ccc(OC)cc34)=O	8672
+c1c(c(Br)cc2n[nH]cc12)O	5
+c1ccccc1COC(n2c3cc(c(Cl)cc3nc2-c4ccc(c([N+](=O)[O-])c4)OC)Cl)=O	8673
+COc1ccc(c(CN)c1)Br	107
+C(O)c1cc(OC)ccc1Br	49
+O(C)c1cc(cc(OC)c1)C(=O)c2ccc(cc2C(=O)O)OC	1217
+COc1ccc(C(=O)c2cccc(c2)F)c(c1)C(=O)O	1217
+c1cc(ccc1C(=O)c2ccc(cc2C(=O)O)OC)-c3nnn(C)n3	1217
+c1cc(ccc1)C(=O)c2ccc(cc2C(=O)O)OC	2227
+c1cc(ccc1)OCC(=O)c2c(C(=O)O)cc(OC)cc2	586
+C(C(Cl)=O)c1cc(OC)ccc1Br	130
+COc1ccc(CC)c(c1)O	165
+C1(C)=C(C(=O)Oc2cc(ccc12)OC)c3cnc(OC)nc3OC	8674
+COc1ccc(C(N(OC)C)=O)c(C#CCCCCC)c1	8675
+Cc1nnc(c2ccc(OC)cc12)O	8676
+c1(O)nnc(c2ccc(OC)cc12)-c3cc(F)ccc3	1055
+c1cc(ccc1)CC(=O)c2c(cc(cc2)OC)C#CCCCCC	8677
+COc1ccc(c(C#N)c1)CC(=O)O	4
+Cc1cc(ccc1CC(OC)=O)O	5
+c1ccccc1COc2cc(OC)ccc2CC	22
+COc1ccc(CCSC)c([N+]([O-])=O)c1	965
+COc1ccc(Cl)c(c1)C(=O)O	820
+COc1cc(c(Cl)cc1)-c2cc(F)ccc2	134
+C(Cl)(=O)c1c(Cl)ccc(OC)c1	82
+C1(N(c2cc(ccc2OC1)C(Cc3c(Cl)ccc(OC)c3)=O)C)=O	214
+n1(ncc2c1nc3ccc(OC)cc3c2Cl)CC	4561
+Nc1ccc(OC)cc1C#N	0
+Nc1c(cc(OC)cc1)C(=O)O	0
+CC(C)(O)c1c(ccc(c1)OC)O	1033
+c1cc(ccc1C)C(=O)c2c(cc(cc2)OC)C	358
+c1(c(N)ccc(OC)c1)C	0
+C1OC(CCC1)OCCc2cc(OC)ccc2Br	219
+n1c(NCc2cc(OC)ccc2Br)c(Cl)cnc1Cl	40
+C1(N(c2cc(ccc2OC1)C(Cc3ccc(OC)cc3Cl)=O)C)=O	214
+O=[N+](c1c(OC)ccc(Br)c1[N+](=O)[O-])[O-]	31
+c1cc(ccc1)-c2c(cc(OC)cc2)[N+]([O-])=O	11
+c1cc(ccc1)-c2c(cc(OC)cc2)[N+]([O-])=O	750
+C1C(Nc2c1ccc(OC)c2)=O	1089
+COc1ccc(CCO)c([N+]([O-])=O)c1	21
+Nc1cc(OC)ccc1O	0
+c1c(c(F)ccc1O)C(=O)O	5
+COc1cc(OCC2CO2)c(cc1)-c3nnc(cc3)Cl	8
+c1(ccc(C=C(C(OCC)=O)CCCNC2CCCc3c2cc(cc3)OC)cc1OC)-n4cc(nc4)C	284
+COc1ccc2N(C(CC(CCO)c2c1)=O)C	21
+COc1ccc2N(C(CC(CC(=O)O)c2c1)=O)C	4
+COc1ccc2N(C(CC(CCNC)c2c1)=O)C	110
+COc1ccc2N(C(CC(CC=O)c2c1)=O)C	24
+c12c(OC(C)C(=O)N1)ccc(O)c2	5
+COc1ccc2CC(Cl)c3c(Sc2c1)ccc(SC)c3	4562
+c1ccccc1C(c2cc3c(cc2OC)C(C(OC)=O)CC3)=O	222
+c1ccccc1CN2CC3C(C(=O)c4ccc(OC)cc34)C2	8678
+FC(F)(F)C(=O)c1c[nH]c2cc(OC)ccc12	531
+[nH]1cc(C#N)c2ccc(OC)cc12	4563
+COc1cccc(-c2nc(ccc2CC(=O)O)Cl)c1	4
+c1cc2c(noc2cc1F)-c3cc(ccc3)O	5
+c1cc(ccc1)N=C(N)c2cccc(OC)c2	1748
+COc1cccc(c1N)C=2NCCN=2	2086
+c1(c(c(ccc1)C(=O)C)Br)O	5
+c1cc(ccc1CC(OCC)C(OCC)=O)OCC(=O)c2cccc(c2)OC	702
+Clc1cc(F)c(C#N)c(C(=O)c2cccc(OC)c2)c1	2227
+c1(cc(ccc1)OC)-c2nc3n(ccc(c3)Br)n2	8679
+c1cc(ccc1I)C(=O)NNC(=O)c2cc(ccc2)OC	1601
+COc1cccc(C(=O)C)c1Br	1024
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+O=S(=O)(c1cc(c(cc1)Cl)C)N(c2cc(Cl)cnc2C(c3c(cccc3OC)C)=O)COC	4564
+COc1cccc(c1)C(C)(CNC)O	122
+Cc1cc(C(c2cc(OCc3cccc(c3)OC)ccc2)=C)ccc1OC	22
+COc1cccc(c1)CCCO	21
+COc1cccc(CCC(N)=O)c1	83
+C(CN)Cc1cc(ccc1)OC	15
+COc1cc2CCN=C(C)c2cc1	1120
+FC(F)(F)c1c(cccc1)S(=O)(=O)Nc2c(nccn2)-c3ccc(cc3)COCc4cc(ccc4)OC	555
+COc1c(CC#N)c(Cl)ccc1	163
+O=S(=O)(Cl)c1c(c(c(OC)cc1)Cl)Cl	243
+COc1c2c(ccc1)[nH]nc2N	575
+c1cc(cc(-n2ncc3c2cccc3)c1)OC	2993
+c1(ccc(NC(C)=O)cc1OC)C(=O)C	94
+c1c(cccc1OCc2c(ccc(Cl)c2)Br)OC	22
+FC(F)(F)C(=O)N1CCc2cc(ccc2CC1)COc3cccc(OC)c3	139
+c1c(cccc1OC)Oc2cc(c(F)cc2[N+]([O-])=O)Br	46
+c1c(cccc1OC)Oc2ccccc2[N+]([O-])=O	415
+c1ccccc1CN2CC3=C(CC2)c4c(cc(cc4)OC)OC3=O	3607
+FC(F)Oc1ncc(CN2C(CCCC2c3c(cccc3OC)OC)=O)cc1Cl	8680
+COc1cccc(OC)c1COc2cccc(CC(O)=O)c2	3
+S(c1cc(ccc1)O)C	5
+COc1cccc([N+]([O-])=O)c1CC#N	163
+c1c(cc(cc1)O)C#CCCCCCC	5
+COc1cccc(C2(C)OC2)c1	4565
+c1c(-c2cc(ccc2)OC)[nH]nc1N	1941
+[N-]=[N+]=NCCN1C(=O)C(CC)(c2cc(ccc2)OC)CCCC1	600
+c1cc(ccc1S(=O)(=O)C[N+]#CC2C(CCCC2)Cc3cccc(OC)c3)C	1141
+COc1cccc(c1)CCCC#N	1409
+COc1cccc(c1)CCCI	343
+FC(F)(F)C(N1CCC(CC1)C(=O)NCCc2cc(OC)ccc2)=O	68
+FC(F)(F)C(NCCc1cccc(c1)OC)=O	659
+COc1cccc(CCNC(C)=O)c1	68
+c1cc(ccc1)C(=O)NCCc2cccc(c2)OC	93
+c1c(cc(cc1)OC)CCNC(c2cc(cc(c2)-c3ccccc3OC)-n4nnnc4)=O	14
+c1cc(ccc1)C(CCc2cccc(OC)c2)O	758
+C(c1cc(ccc1)OC)OCCO	555
+c1cc(ccc1OCc2cccc(OC)c2)Cc3noc(c3)-c4ccc(N)nc4N	139
+c1cc(ccc1)OCc2nc3c(cccc3)n2Cc4cc(ccc4)OC	1947
+c1cc(ccc1)N(c2ccccc2)C(CNC(Nc3cccc(c3)OC)=O)=O	1631
+c1c(OC)ccc2c(-c3cnccc3)csc12	8681
+COc1cccc(C(N(OC)C)=O)c1Br	280
+c1c(c(c(cc1)OC)C)CC[N+](=O)[O-]	364
+FC(F)(F)c1oc2cccc(c2n1)OC	8682
+COc1c2c(ccc1[N+]([O-])=O)CC(CCC2)=O	31
+c12c(c(ccc1)OC)nccc2Cl	120
+c1c(OC)c2c(c(c1)C=O)cc(C)o2	3809
+c1cc(ccc1)CN(CC)C(C2c3c4c(cccc4OC)n(CCF)c3CCC2)=O	58
+c12cccc(c1nc(C)s2)O	390
+COc1cnc2ccc(F)c(c2n1)CC#N	1689
+c1cc(ccc1C)S(=O)(=O)OCCc2cccc(n2)OC	36
+COc1nc(ccc1)CCl	515
+FC(F)(F)c1cccc(-c2cc(C)c(C(OC)=O)c(OC)n2)c1	140
+c1cc(ccc1Cc2cc(-c3cccnc3N)on2)OCc4nc(OC)ccc4	412
+c1c(F)nc(c(F)c1)O	104
+n1c(SC)nc(Cl)c(c1OC)I	1154
+c1cc(ccc1I)Oc2nc(OC)cc(n2)OC	893
+c1(OC)nc(nc(OC)n1)Oc2c(c(Cl)ccc2)C(=O)Oc3ccc(cc3)[N+](=O)[O-]	852
+c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O	61
+COc1nc2c(-c3ccc(CC#N)cn3)ccnc2cc1	1689
+COc1nc2c(-c3ccc(CCN)cn3)ccnc2cc1	51
+COc1nc2c(-c3ccc(CCNCc4ccc5c(n4)NC(=O)CS5)cn3)ccnc2cc1	294
+Oc1nc2c(C(NCC2)=O)cc1	104
+C1CCCOC1CCn2c(OC)nc3c2nc(nc3N)NCCCC	8683
+c12cc(-c3cnccc3)ccc1nc(O)cc2	104
+FC(F)(F)C(NCC1CCCN(C1)CCc2c3nc(ccc3ncc2)OC)=O	4566
+c1(ccc2c(n1)NC(=O)CS2)CN(C(=O)C3OCCN(CCc4ccnc5c4nc(OC)cc5)C3)C	4566
+COc1nc2c(nccc2CCN3CCOC(C3)CNCc4ccc5c(n4)NC(=O)CS5)cc1	294
+O(C)c1nccc(C(=O)NN)c1	296
+n1ccc(cc1O)NC(c2cc(ccc2F)F)=O	104
+C(c1ccc(-c2cc(nn2-c3nnc(OC)cc3)C(=O)N(C)CC)nc1)N	388
+COc1nnc(-n2nc(cc2-c3ccc(cn3)C#N)C(=O)O)cc1	1
+c1(-c2cn3c(n2)ccc(OC)n3)cc([N+]([O-])=O)c(C)cc1	1749
+O=S(=O)(c1cc(c2c(c1)OC(CO2)CO)F)C	4567
+C[Si](C)(C)c1ccc(cc1)C(C(=O)c2cc(ccc2)Br)=O	4568
+C[Si](C)(C)c1cc(C(C(=O)c2cc(ccc2)Br)=O)ccc1	4568
+FC(F)(F)C1(CC(C)(C)c2c(C=O)cccc2)OC1	2492
+O=Cc1ccc(cc1F)-c2cc(ccc2)OC	2492
+c1cc(ccc1)-c2c(CN)c(nc3ccc(C(=O)N)cc23)CC(C)C	8684
+c1cc(ccc1OCC2(OC2)c3ccc(Br)s3)Cl	8685
+c1ccccc1CCOCCCN2CCC3(CC2)CO3	1626
+FC(F)(F)c1cccc(-c2nc3ccc(S(=O)(=O)C)cc3c(c2C)C(=O)OC)c1	2994
+O=S(=O)(C)c1ccc(c(Cl)c1)C=O	2964
+O=S(=O)(c1c(cc(cc1)[N+]([O-])=O)F)C	2964
+O=S(=O)(c1ccc(c(C=O)c1)O)C	2994
+O=S(=O)(c1ccc2c(c1)C(=O)N(C(CC)=N2)C)C	2994
+c1cc(ccc1-n2ncc(c2C)C(=O)NC(c3cncc(c3)S(=O)(=O)C)CCC)Cl	8686
+O=S(=O)(c1c(c(ccc1)-c2ccncc2)-c3ccc(cc3)OCc4ccccc4)C	8687
+c1c(c(N)c(cc1F)CSC)F	4569
+C1CC1(C2(CCc3ccc(cc3)Cl)OC2)Sc4ccccc4	8688
+Clc1cc(NC(SC)=C(C(N)=O)C#N)ccc1	8689
+FC(F)(F)c1cc(c(c(OC)c1)C(O)=O)SC	1884
+S(C)c1cc(ccc1Br)F	2869
+S(c1cc(ccc1C)F)C	1850
+c1(cc2ccc(cc2cc1)SC)OC	1850
+c1c(c(c(cc1F)Br)SC)F	2869
+c1c2c(ccc1)cc(SC)c(c2)OC	1884
+c1ccccc1COc2c(c(cc(C=O)c2)SC)O	1850
+c12cc(SC)ccc1nc[nH]2	631
+CC(c1c(nc2c(c1)cc(Cl)c(OC)c2)OC)O	8690
+CC(C)(c1cc(F)c(cc1)C#N)O	2929
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(=O)C	2830
+c1cc(ccc1C(c2ccc(cc2)Cl)N3CC(C3)C(C(C)O)c4cc(F)cc(c4)F)Cl	8691
+c1cc(ccc1C(c2ccc(cc2)Cl)N3CC(C3)C(C(C)(C)O)c4cc(F)cc(c4)F)Cl	8692
+c1cc(ccc1F)C2C(c3ccc(cc3)I)Oc4c(C2(O)C)ccc(c4)OC5CCCCO5	2929
+c1cc(ccc1OC)CN2CC(CC2=O)C(C)=O	2830
+N1(C(=O)N(c2ccc(C)cc12)Cc3c4c(C)cccc4n(c3)C)C(CCC)CC(OCC)=O	8693
+Clc1cc(Br)cc(Oc2c(Cl)ccc(N)c2[N+]([O-])=O)c1	8694
+Cc1n(nc2ccc(cc12)Br)C	2369
+[N+](c1cc(Br)c2nn(C)cc2c1)([O-])=O	2369
+CP(C)(c1cc(c(cc1)OC)N)=O	4570
+c1cc(ccc1P(C)(C)=O)Br	4570
+FC(F)(C1(CO1)c2c(cc(cc2)F)F)c3ncc(Br)cc3	4565
+c1cc(F)c(cc1C2C(C2)C(OCC)=O)Br	8695
+c1c(F)c(c(cc1[N+](=O)[O-])F)N2CCC3(CC2)OC3	2113
+c1cc(ccc1)CN2CCC3(CC2)CO3	2113
+c1cc(ccc1C2C(C(N(OC)C)=O)C2)Cl	3252
+c1c(cc(cc1)Br)C2(c3cccc(c3)Br)OC2	8696
+c1cc(ccc1C2CO2)C	8697
+Clc1cc(cc(Cl)c1-n2cc3c(n2)c(cnc3Br)F)[N+]([O-])=O	8698
+c1c(Cl)c(c(cc1C)Cl)OCCOc2ccc(cc2)CBr	8699
+C[Si](C)(C)CCOCn1c(-c2c(C#C[Si](C)(C)C)cnc(n2)N)cc(C(OCC)=O)c1-c3cc(Cl)ccc3C	2995
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2c(F)c(c(cc2)Cl)Oc3cc(cc(C#C[Si](C)(C)C)c3)Cl)=O)Cl	263
+C[Si](C)(C)CCOCn1c2ccc(C#C[Si](C)(C)C)cc2cn1	263
+C[Si](C)(C)C#Cc1cc(c(nc1)SC)Cl	683
+C[Si](C)(C)C#Cc1cc(OC(C)c2c(ccc(F)c2Cl)Cl)c(nc1)N	683
+C[Si](C)(C)C#Cc1cnc(C(F)(F)C2(CO2)c3c(cc(cc3)F)F)cc1	683
+C[Si](C)(C)C#Cc1ccc2c3c(c(cnc3NC(C(F)(F)F)C4CC4)C(=O)N)[nH]c2c1	8700
+C[Si](C)(C)C#Cc1cn(nc1)CC(F)(F)F	8701
+FC(F)(F)c1c(C#N)ccc(c1C#C[Si](C)(C)C)F	311
+FC(F)(F)c1cc(c(C#C[Si](C)(C)C)c(Br)c1)N	311
+C[Si](C)(C)C#Cc1cc(C)c(OC(F)F)cc1	263
+C[Si](C)(C)C#Cc1cc(OCc2c(F)cccc2F)c3nc(C)c(C(=O)OCC)n3c1	683
+C[Si](C)(C)C#Cc1c(cccc1)NC(=O)N	311
+C[Si](C)(C)C#Cc1cc(nc(c1O)Cl)CO	8702
+C[Si](C)(C)C#Cc1c(C#N)ncc(Cl)c1	683
+C[Si](C)(C)C#Cc1c(nccc1)N	683
+C[Si](C)(C)C#Cc1c(C)c(C#N)c(N)nc1	1042
+C[Si](C)(C)C#Cc1c(N)c(C(=O)OC)c2c(c1)cn[nH]2	263
+C[Si](C)(C)C#Cc1c(N)ccc(n1)C	961
+C[Si](C)(C)C#Cc1cc(cnc1N)Cl	1042
+C[Si](C)(C)C#Cc1c(nccc1)N	1042
+C[Si](C)(C)C#Cc1ccccc1CC(OC)=O	311
+C[Si](C)(C)C#Cc1cc(Nc2ncc(c(Nc3ccccc3S(=O)(=O)C(C)C)n2)C)c(OC(C)C)cc1C	263
+C[Si](C)(C)C#Cc1ccc(S(=O)(=O)NC(C(=O)O)Cc2c[nH]c3c2cccc3)s1	8703
+C[Si](C)(C)c1cn(-c2cc(OCC(=O)O)ccc2)nn1	8704
+C[Si](C)(C)C#Cc1c(C(CC)C(=O)N)cccc1	311
+C[Si](C)(C)C#Cc1cc(c(cc1N)F)Br	311
+C[Si](C)(C)C#Cc1ccc(cc1F)N2CC(Cn3nnc(C)c3)OC2=O	311
+C[Si](C)(C)C#Cc1c(nc(Nc2cccc(F)c2)nc1)NCCC	2995
+C[Si](C)(C)C#Cc1c(N)nc(-c2ccco2)c(c1)-c3ncncc3	683
+C[Si](C)(C)C#Cc1c(nc(N)cc1)N	1042
+C[Si](C)(C)C#Cc1c(Cl)c(ccc1F)C#N	311
+C[Si](C)(C)C#Cc1cc2ccc(cc2cc1)O	263
+C[Si](C)(C)C#Cc1cncc(C#N)c1	683
+C[Si](C)(C)C#Cc1cnc2c(c(Nc3c(F)cc(cc3)C)c(cn12)C(=O)OC)F	4571
+C[Si](C)(C)C#Cc1cc(C)c(c(c1)C)OCc2ccccc2	263
+C[Si](C)(C)C#Cc1ccc(C)cn1	961
+C[Si](C)(C)C#Cc1cc(c(cc1)Nc2c(cnc(c2)O)C(=O)NCCO)F	311
+C1(=O)N2CCCC2=C(C(NOCCO)=O)C(=C1F)Nc3c(cc(cc3)C#C)F	2228
+C[Si](C)(C)C#Cc1cn2c(nc(C(=O)OCC)c2)cc1	1042
+C[Si](C)(C)C#Cc1nc(C#N)c(N)cc1	8705
+C[Si](C)(C)C#Cc1cc(CCCC#N)c(F)cc1	263
+C[Si](C)(C)C#Cc1ccc(F)cc1CC(N)=O	263
+C[Si](C)(C)C#Cc1ccc(Br)nc1	1042
+C[Si](C)(C)C#Cc1ccc(c(c1)CNC(OC)=O)Cl	311
+C[Si](C)(C)C#Cc1ccc(cc1)-c2ccnn2-c3ccncc3	263
+C[Si](C)(C)C#Cc1ccc(cc1)OCCN(CC)CC	263
+C[Si](C)(C)C#Cc1ccc(cc1)C(C)C(NCC)=O	311
+C[Si](C)(C)C#Cc1ccc(cc1)CN(C)C	311
+C[Si](C)(C)C#Cc1ccc(cc1)CO	263
+C[Si](C)(C)C#Cc1cnc2n1cc(cc2C)-c3ccc(cc3)Cl	4571
+c1cc(ccc1F)-n2ccc3c2ccc(C#C)c3	1800
+C[Si](C)(C)C#Cc1ccc(cc1)CCC(=O)OC	311
+C[Si](C)(C)C#Cc1ccc(cc1)N2C(N=C(c3c(F)cccc3Cl)N2)=O	8706
+C[Si](C)(C)C#Cc1ccc(cc1)OC2OCCCC2	311
+C[Si](C)(C)C#Cc1ccc(N)nc1	683
+C[Si](C)(C)C#Cc1cc2C(c3cc(ccc3-c2cc1)C#N)=O	263
+C[Si](C)(C)C#Cc1c(CC)ncnc1NC2CCC(CC2)c3ccccc3	2995
+c1ccccc1CNC(=O)c2c(C)nc(s2)C#C	4482
+C[Si](C)(C)C#Cc1cc(c(OCc2ccccc2)nn1)OCc3ccccc3	8707
+C[Si](C)(C)C#Cc1c(ncc(c1)C(=O)N=S(c2ccccc2)(C)=O)N	1042
+C[Si](C)(C)C#Cc1cncc(C(N=S(c2ccccc2)(=O)C)=O)c1	683
+C[Si](C)(C)C#Cc1cnc(nc1)N2CC(NCc3c(Cl)cc(cc3)Cl)CC2	8708
+FC(F)(F)C(O)(C#C)CC	1407
+CN(C)c1ccc(cc1)C(C#C)O	1407
+c1cc(ccc1)C#Cc2ccccc2C(C#C)OC	1407
+c1cc(ccc1-n2nnnc2)CC(=O)N3CCC(CC3)(C#C)O	1407
+C[Si](C)(C)C#CC1(CCN(CC1)C(=O)Cc2ccc(cc2)-n3nnnc3)O	731
+C1(NC=C(C(N1)=O)C#C)=O	4572
+C[Si](C)(C)c1c(C2CCCCC2)c3c(ncc(c3)C(OC)=O)[nH]1	8709
+C[Si](C)(C)C#CCCCCC(=O)c1ncc(-c2ncccc2)o1	8710
+c1(cnc(C(CCCCC#C)=O)o1)-c2ncccc2	1407
+C[Si](C)(C)C#CCCNC(c1cccc(c1)Cc2cc(F)ccc2)=O	14
+C[Si](C)(C)C#CCCN	18
+C[Si](C)(C)c1[nH]c2c(cc(Cl)cc2c1CCNC(c3cc(ccc3)Cc4cc(F)ccc4)=O)Cl	4238
+C(C(c1ccccc1C#C)C)(=O)OC	75
+NC(C(c1c(cccc1)C#C)CC)=O	75
+C#Cc1c(c(C#N)c(N)nc1)C	75
+c1(c(C#C)ccnc1)C	75
+c1ccccc1C2CCC(CC2)Nc3c(c(ncn3)CC)C#C	75
+C(C(n1ccc2c(c(ccc12)C#N)Cl)C)SC	4573
+C1C(CN1Cc2cc(F)c(cc2)C#C)C(OC)=O	75
+C#Cc1c(N)c(c2n[nH]cc2c1)C(=O)OC	75
+Nc1c(nc(C)cc1)C#C	75
+CC(C)N1C(=O)C=CC(=N1)c2nc(C#C)c(nc2-c3ccccc3)N	75
+C(C)N(CC)N=Nc1c(C#C)c(cc(C(OC)=O)c1-c2cc(ccc2)F)Cl	75
+CC(C)c1c(cc(c(c1)OC)C#C)Oc2cnc(nc2N)N	75
+c1c(c(C#C)ccc1)NC(=O)N	75
+C(#C)c1c(nc(cc1)N)N	75
+C(#C)c1cnc(nc1NCCC)Nc2cccc(c2)F	75
+c1ccccc1S(C)(=NC(=O)c2cnc(c(C#C)c2)N)=O	75
+C#Cc1cccnc1N	75
+N1(c2ccc(F)cc2F)C=C(C(=O)OCC)C(=O)c3cc(c(F)c(C#C)c13)F	75
+CCN(CC)C1CN(CC1)C(c2[nH]nc(-c3cc(ccc3)C#C)c2C)=O	75
+c1c2c(ccc1)CC(C2)Nc3nc4CCN(C(c5cncc(c5)C#C)=O)Cc4cn3	75
+CC(C)(C)OC(c1cc(C#C)ccc1)=O	75
+CC(C)(C)c1c(C2(CC2)OCC)ccc(c1)C#C	75
+FC(F)Oc1ccc(C#C)cc1C	75
+c1c(C)c(c(cc1C#C)C)OCc2ccccc2	75
+C1CC1c2cc(cc3C(C)(C)CC(C)(C)Oc23)C#C	75
+c1c(CCCC#N)c(F)ccc1C#C	75
+CC(C)Oc1cc(c(C#C)cc1Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c(C)cn2)C	75
+CC1(C)c2cc(C#C)cc(c2C(=O)CC1)OC(C)C	75
+c1c(c(ncc1C#C)N)OC(C)c2c(Cl)ccc(F)c2Cl	75
+Fc1cccc(F)c1COc2c3n(c(C(=O)OCC)c(n3)C)cc(C#C)c2	75
+C1C(C)OC(CN1c2c(c(c(cc2C=O)C#C)F)F)C	75
+CC(C)Oc1c(cc(cc1)C#C)C(OC)=O	75
+c1ccccc1COc2cc(C#C)nnc2OCc3ccccc3	75
+CC(C)(C)OC(Nc1c(cc(C#C)cc1)[N+](=O)[O-])=O	75
+C(NCCO)(c1c(Nc2c(cc(cc2)C#C)F)cc(O)nc1)=O	75
+c1(F)c(cc2cc[nH]c2c1)Br	4574
+C#Cc1cc(Cl)c(SC)nc1	75
+C1CC1c2c3OC4(CC4)CC(C)(C)c3cc(c2)C#C	75
+C[Si](C)(C)C#Cc1cc(cc(Cl)c1)S(=O)(=O)N(c2cc3c4ccccc4n(CC)c3cc2)CC(=O)O	32
+O=S(=O)(N(CC(=O)O)c1cc2c3ccccc3n(CC)c2cc1)c4cc(Cl)cc(C#C)c4	75
+C(OCOc1cccc(c1)C#C)COC	75
+C#Cc1cc(Cl)cnc1N	75
+CC1(C)CC(C)(C)c2c(O1)c(cc(c2)C#C)C=O	75
+CC1(C)c2cc(cc(O)c2C(=O)CC1)C#C	75
+C(#C)c1cc2C(c3c(ccc(C#N)c3)-c2cc1)=O	75
+CN(C)C(c1nn(-c2ccnc(N)n2)c3cc(ccc13)C#C)=O	75
+C1CN(CCC1Cn2c3c(cc(cc3)C#C)cc2)C(CCc4ccccc4)=O	75
+C[Si](C)(C)C#Cc1ncc2ncc(C#N)c(c2c1)Cl	120
+c1(cc(Nc2c3cc(ncc3ncc2C#N)C#C)ccc1)Br	75
+c1c2c(cc(C#C)c1)ccc(c2)O	75
+c1nc(ccc1C)C#C	75
+c1cc(cnc1Cl)C#C	75
+C(#C)c1ccc(cc1CC(N)=O)F	75
+n1c(ccc(c1)C#C)N	75
+C12CCCC1N(C)C(=O)N2c3ccc(C#Cc4cccc(c4)F)cn3	2228
+O=S(=O)(NC(C(=O)O)Cc1c[nH]c2c1cccc2)c3ccc(s3)C#C	75
+c1c(c(Cl)ccc1C#C)CNC(OC)=O	75
+c1cc(ccc1C#C)-c2ccnn2-c3ccncc3	75
+c1cc(ccc1C#C)C(C)C(NCC)=O	75
+c1cc(ccc1)CNC2(CC2)c3ccc(cc3)C#C	75
+N#CC(C#N)=C1C(C#N)=C(c2ccc(cc2)C#C)C(C)(C)O1	75
+c1cc(ccc1CCC(=O)OC)C#C	75
+c1cc(ccc1C#C)CN(C)C	75
+c1cc(ccc1C#C)CO	75
+c1cc(ccc1N(CC)CC)C#C	75
+C(CCC)N(CCCC)c1ccc(cc1)C#C	75
+c1cc(ccc1N2C(N=C(c3c(F)cccc3Cl)N2)=O)C#C	75
+c1cc(ccc1C#C)OC2OCCCC2	75
+c1cc(ccc1C#C)OCCCCCC	75
+c1cc(ccc1C#C)OCCN(CC)CC	75
+c1cc(ccc1OCCN2CCCC2)C#C	75
+c1cc(ccc1C#C)OCCO	75
+C[Si](C)(C)c1ccc(cc1)C#C	75
+c1(N2CC(OC2=O)Cn3cc(C)nn3)ccc(C#C)c(F)c1	75
+CC1(C)CN(c2ccc(C#Cc3cc(cnc3)F)cn2)C(C1)=O	8711
+C1CC1CNc2ncc(cc2)C#C	75
+CC1(C)c2c(ccc(C#C)c2)OC(C1)=O	75
+FC(F)(F)C(Nc1ncc(c2[nH]c3c(ccc(C#C)c3)c12)C(=O)N)C4CC4	75
+FC(F)(F)c1c2nn(c(-c3cc(ccc3)C#C)c2ccc1)Cc4c(cc(cc4F)F)F	75
+C[Si](C)(C)C#Cc1cccc(c1)-c2c(nccc2)F	305
+c1c(cccc1C#N)C#C	75
+CC(C)OC(c1cccc(C#C)c1)=O	75
+CCOC(=O)c1cccc(c1)C#C	75
+c1ccc(-c2cccnc2F)cc1C#C	75
+C[Si](C)(C)c1[nH]c2c(cc(Cl)cc2c1-c3ccccc3)[N+](=O)[O-]	8712
+C1CC1(C(=O)N)c2ccccc2C#C	75
+c1(ccccc1CC(OC)=O)C#C	75
+C(#Cc1ccccc1N)c2c(OC)cc(c(c2)C=O)OC	2228
+FC(F)(F)Cn1ncc(C#C)c1	75
+C(C)OC(c1nc2n(c1)cc(cc2)C#C)=O	75
+CC(C)(C)OC(N1CCN(CC1)c2ccc(C#C)cn2)=O	75
+C1c2c(CC1Nc3nc4CCN(C(=O)c5ncc(cc5)C#C)Cc4cn3)cccc2	75
+n1cc(cnc1N2CC(NCc3c(Cl)cc(cc3)Cl)CC2)C#C	75
+c1c(C(=O)OC)c(c(c2n1c(C#C)cn2)F)Nc3c(F)cc(C)cc3	75
+n1cc(cc(C#N)c1)C#C	75
+c1c(C=O)c(ccc1C#Cc2cc(C#N)cnc2)F	2228
+c1ccccc1S(=O)(C)=NC(=O)c2cncc(c2)C#C	75
+C(#C)c1c2n(cc(-c3cnn(C)c3)cc2OC)nc1	75
+C#Cc1n2c(cccn2)nc1	75
+n1c(c(N)ccc1C#C)C#N	75
+C1CCN(C1)c2nc(ccc2)C#C	75
+O(CC)C(OCC)c1cnc(C#C)cc1	75
+CC(C)(O)c1cnc(cc1)C#C	75
+C[Si](C)(C)C#Cc1cc2c(ncc(c2Nc3cccc(Br)c3)C#N)cn1	179
+C1CCCN1c2nc(C#C)nn2C	75
+C1(=CC(=C([N+](C1=C=[N-])=O)Cl)C(=O)OC)Cl	8713
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2C(c3ccc(cc3)F)C=4C=CC(=C=[N-])[N+](C=4CC2)=O)C	8714
+FC(F)(F)C1=CC(=C=[N-])[N+](C(Cl)=C1)=O	8715
+c1(Nc2cc(Cl)c(F)cc2)c(oc3c1ccnc3CCC)N	8716
+O(CC)P(OCC)(=O)CC=1C=C[N+](=O)C(=C=[N-])C=1	1269
+CCOP(OCC)(CC=1c2ccccc2[N+](C(=C=[N-])C=1)=O)=O	8717
+C1(C=CC=C([N+]1=O)COC2CCOC2)=C=[N-]	1649
+O1CCc2c3n(ncc3CC#N)ccc12	8718
+c1c(cc(Br)cn1)NC(c2c(cccc2)Cl)C#N	4575
+O=S(=O)(c1cc2CCC=C(c2cc1)C#N)c3ccccc3	4576
+[N-]=[N+]=NCC1=CC=C(C)[N+](=O)C1=C=[N-]	8719
+c1c(F)c(ccc1F)C(Cn2ncnc2)(C(C)C3=C[N+](=O)C(C=C3)=C=[N-])O	8720
+c1c(F)c(ccc1F)C(Cn2ncnc2)(O)C(C)C=3[N+](=O)C(C=CC=3)=C=[N-]	1649
+c1cc(ccc1)CN2CCC(CC2)(Nc3cc(C)ccc3)C#N	1345
+c1c(OC)c(cc(C2=C(C=CC([N+]2=O)=C=[N-])C)c1)F	8721
+C1(C=C(C=C[N+]1=O)CCC)=C=[N-]	1269
+c1cc(ccc1)C2Cc3c(c(OC)ccc3C(C#N)=C2)OC	4576
+c1ccccc1C2CC(c3ccc(OC)c(OC)c3C2)(O)CN	4577
+c1cc(ccc1Cl)NC2(CCN(CC2)Cc3ccccc3)C#N	1345
+c1cc(ccc1)CN2CCC(CC2)(Nc3ccc(cc3)F)C#N	1345
+c1cc(ccc1-c2onc3-c4c(CCc23)cc(cc4)C(O)C#N)CCC	8722
+c1cc(ccc1Cl)C(C#N)Nc2ccc(cc2)Br	8723
+c1cc(ccc1F)C(N2C(C#N)C=Cc3c2cccc3)=O	8724
+c1cc(ccc1C)C(Nc2cc(Br)cnc2)C#N	4575
+c1cc(ccc1Cl)CC=2[N+](=O)C(=C=[N-])C=CC=2	1649
+O=S(=O)(c1ccc(cc1)NC(c2cc(C)cc(C)c2)C#N)N	8725
+c1cc(ccc1)C2Cc3c(OC)cccc3C(CN)(C2)O	4577
+FC(F)(F)c1ccc2N(C(=O)OCC)C(CC)CN(c2c1)C(c3nn(C)nn3)c4cc(Cl)c(cc4)Cl	8726
+FC(F)(F)c1ccc(cc1)CC(C=[N+]=[N-])=O	1945
+c1cc(ccc1CC(C=[N+]=[N-])=O)I	1945
+C[Si](C)(C)CC(C(O)=O)NC(c1cc(ccc1)I)=O	3
+C[Si](C)(C)CC(C(=O)NC1(CC1)C#N)NC(c2cccc(-c3cccc(C#N)c3)c2)=O	134
+C[Si](C)(C)CC=CCC(O)CCc1ccccc1	8727
+C[Si](C)(C)CCOC(C(CC)c1c(I)cccc1)=O	27
+C[Si](C)(C)CCOC(=O)c1cccc(S(=O)(=O)Cl)c1	279
+C[Si](C)(C)CCOC(C(Cc1c2c(c(cc1)[N+](=O)[O-])cccc2)NC(OC)=O)=O	27
+C[Si](C)(C)CCOC(=O)C(NC(OC)=O)Cc1c2ccccc2c(Nc3c(C(O)=O)cccc3)cc1	8728
+FC(F)(F)c1cccc(N2C(N)=C(C(N)=O)C(C(C(OCC[Si](C)(C)C)=O)=C2C)c3ccc(cc3)C#N)c1	8729
+C[Si](C)(C)CCOC(=O)C=C(C)Nc1cccc(c1)C(F)(F)F	3497
+O=S(=O)(N(C1CCC(CC1)C(=O)OC)C(C)C)c2cc(ccc2)C(=O)O	8730
+C[Si](C)(C)CCOC(=O)C(c1c(CCC(=O)c2cccc(C=Cc3nc4c(ccc(Cl)c4)cc3)c2)cccc1)CC	4578
+C[Si](C)(C)CCOC(=O)C(Cc1ccc(N)c2ccccc12)NC(OC)=O	0
+C[Si](C)(C)CCOC(N1CC(C(CC1)c2ccc(cc2)F)OCc3cc4c(cccc4)c(OCOCC[Si](C)(C)C)c3)=O	66
+C[Si](C)(C)CCOCn1cc(c2c1ncc(Br)n2)C(NCC(C)(C)COCOCC[Si](C)(C)C)=O	433
+C[Si](C)(C)CCOCn1c(nc2ccccc12)Cl	1544
+C[Si](C)(C)CCOCOc1ccc(C#N)c(c1)Cl	175
+C[Si](C)(C)CCOCn1c(-c2cc(Cl)ccc2C)c(cc1-c3ccnc(n3)N)C(OCC)=O	2481
+C[Si](C)(C)CCOCn1cc(nc1-c2ncc(Br)cc2Cl)C(F)(F)F	1073
+FC(F)(F)c1cn(COCC[Si](C)(C)C)cn1	1073
+C[Si](C)(C)CCOCn1cnc2c(ncnc12)I	8731
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)I	1750
+C[Si](C)(C)CCOCn1ccc(-c2nc3ccc(c(c3cc2)N)Cl)n1	1428
+C[Si](C)(C)CCOCOc1c(OC)cc(Br)cc1C=O	175
+C[Si](C)(C)CCOCn1ccc2c(Cl)nc(nc12)Cl	1750
+C[Si](C)(C)CCOCn1cc(c2c(nc(nc12)Cl)Cl)I	1750
+C[Si](C)(C)CCOCn1cc(c2c1nc(Cl)nc2Cl)F	1750
+C[Si](C)(C)CCOCn1nc(I)c2cc(C=O)ccc12	1433
+C[Si](C)(C)CCOCn1ncc2c1ccc([N+]([O-])=O)c2	1433
+C[Si](C)(C)CCOCn1cc(nc1)C(=O)OC	1073
+C[Si](C)(C)CCOCn1cc(C(OCC)=O)c2c(ncnc12)-c3cc(ccc3)[N+]([O-])=O	1750
+C[Si](C)(C)CCOCn1c(Br)nc(Br)c1Br	1073
+C[Si](C)(C)CCOCn1cnc2cc(Br)ccc12	1544
+C[Si](C)(C)CCOCn1nnc2cnc(Cl)cc12	8732
+C[Si](C)(C)CCOCn1nc(c2c1ccc(c2)Br)C=O	1433
+C[Si](C)(C)CCOCn1c2c(cc(C#N)nc2)c3cc(Br)cnc13	4579
+C[Si](C)(C)CCOCn1c2cnc(Cl)c(c2c3cccnc13)F	4579
+C[Si](C)(C)CCOCOc1c(Br)cc(cc1)CC(O)C(OC)=O	175
+C[Si](C)(C)CCOCn1ncc2cc(ccc12)Br	1433
+C[Si](C)(C)CCOCn1nc(c2c1-c3c(scc3)C2)-c4ccc(cc4)Br	1428
+C[Si](C)(C)CCOCOc1ccc(cc1)C#N	175
+C[Si](C)(C)CCOCn1nc(-c2ccc(cc2)OC)c3Cc4sc(cc4-c13)Br	1428
+C[Si](C)(C)CCOCn1c(C(c2ccc(cc2)[N+](=O)[O-])=O)ccc1	2481
+C[Si](C)(C)CCOCn1cc(c(-c2cc(C#N)ccc2)n1)-c3ccncc3	1428
+c1ccccc1CN(Cc2ccccc2)C3CC(c4cnc5n4c6c(n(cc6)COCC[Si](C)(C)C)nc5)C(C)C3	8733
+C[Si](C)(C)CCOCn1nc(I)c2cc([N+](=O)[O-])ccc12	1433
+C[Si](C)(C)CCOCn1nccc1	1428
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2nccc2nc(C(C)=NO)c1	1213
+C1COCCN1Cc2cc(n3ncc(-c4cnc5ccccc5c4)c3n2)N	8734
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(nc2n1ncc2)C(N)C	8735
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2ncc(I)c2nc(C(C)NC3CCOCC3)c1	1390
+C[Si](C)(C)CCOCN1C(C(=C(c2c(cc(cc2)O)C)N(C)C1=O)C)=O	16
+C[Si](C)(C)CCOCN1c2c(nc(Nc3c(nccc3)OC)nc2)N(C4CCOCC4)C1=O	949
+C[Si](C)(C)CCOCN1C(=O)C(=C(c2c(cc(cc2)OCc3ccccc3)C)N(C)C1=O)C	4580
+C[Si](C)(C)CCOCN1C(=O)C(CCC1)(CC#Cc2nc(cc(-c3cc(OCC)ccc3F)n2)C)NC(OC(C)(C)C)=O	1467
+C[Si](C)(C)CCOCN1C(c2c(ccc(c2)NS(=O)(=O)c3ccccc3)N=C1n4ncc(C(OCC)=O)c4)=O	69
+C[Si](C)(C)CCOCN1C(c2c(N=C1n3ncc(C(OCC)=O)c3)ccc(N)c2)=O	0
+C1COCCC1N2C(=O)Nc3cnc(nc23)Nc4c(nccc4)OC	8736
+C[Si](C)(C)CCOCOC(C)(C)COc1c(OC)cc(N)cc1	0
+C[Si](C)(C)CCOCOC(C)(C)c1cnc(cc1)C2(CCN(CC2)c3nnc(c(C)c3C)Cc4ccccc4)O	938
+C[Si](C)(C)CCOCOc1cc(CCl)cc2c1cccc2	1331
+C[Si](C)(C)CCOCOc1c2c(cccc2)cc(c1)COC3C(c4ccc(cc4)F)CCNC3	25
+CC(C)Oc1ccc(-c2nc(-c3c4c(cco4)c(cc3)O)no2)cc1Cl	1434
+C[Si](C)(C)CCOCOc1c2ccccc2cc(c1)COC3C(c4ccc(cc4)F)CCN(C3)Cc5ccccc5	555
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3c(Cl)cc(O)cc3)cc1	1434
+CC(C)(C(=O)OCC)Oc1cc2c(cccc2)c(O)c1	1434
+C[Si](C)(C)CCOCOc1cc(c(C(=N)NO)cc1)Cl	181
+CC(C)Oc1ccc(cc1C#N)-c2nc(no2)-c3ccc(cc3)O	1434
+C[Si](C)(C)CCOCOc1ccc(cc1)C(=NO)N	253
+C[Si](C)(C)CCOCn1c(-c2nc(N)ncc2I)cc(C(OCC)=O)c1-c3cc(Cl)ccc3C	1154
+FC(F)Oc1c(-c2n[nH]cc2NC(=O)c3c4n(cccn4)nc3)cc(cc1)Cl	928
+C[Si](C)(C)CCOCn1c(-c2ccc(cc2)OCC(Nc3ccc(cc3)C#N)=O)nc4N=CN(C(=O)c14)CCC	648
+c1cc(ccc1-c2nc3c(N=CN(CCC)C3=O)[nH]2)OCC(Nc4ccc(cc4)C#N)=O	503
+C[Si](C)(C)CCOCn1c(C(=O)c2ccc3NC(Sc3c2)=O)ccn1	2229
+C[Si](C)(C)CCOCn1c(C(c2ccc(cc2)N)=O)ccc1	0
+C[Si](C)(C)CCOCn1c2cc(c(nc2cc1OCCC(O)=O)-c3ccc(cc3)-c4ccccc4)Cl	2154
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2ccc(c(Oc3cc(Br)cc(Cl)c3)c2F)Cl)=O)Cl	312
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2c(F)c(Oc3cc(cc(c3)C#N)Br)c(cc2)Cl)=O)Cl	312
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2c(c(Oc3c(Cl)c(F)cc(C#N)c3)c(Cl)cc2)F)=O)Cl	312
+C[Si](C)(C)CCOCn1c(OCCC=O)cc2nc(-c3ccc(cc3)-c4ccccc4)c(cc12)Cl	24
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(C3=CCCCC3)cc(cc2)C4CNS(NC4)(=O)=O	616
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C=3CCCCC=3)C(COC(=O)C)COC(=O)C	616
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(Br)cc2C3=CCCCC3	616
+C[Si](C)(C)CCOCn1c(Br)nc(C(=O)O)c1	1
+C[Si](C)(C)CCOCn1c2c(cccc2)nc1Oc3ccc(cc3)-c4c5nc(cn5ccc4)C	2200
+c1cc(ccc1-c2c3c(-c4c(scc4)C3)n[nH]2)Nc5ccc(cc5)F	928
+c1cc(ccc1-c2c3c(-c4c(scc4)C3)n[nH]2)Nc5ccc(cc5)OC	928
+C[Si](C)(C)CCOCn1c2c(N=C(N(CC(C)C)C2=O)Oc3c(C)nccc3)nc1C4CCCC4	8737
+C1CCC(C1)c2nc3c([nH]2)N=C(Oc4c(C)nccc4)N(CC(C)C)C3=O	503
+C[Si](C)(C)CCOCn1c2nccc(Nc3c(F)cc(cc3)[N+](=O)[O-])c2c(c1)C(F)(F)F	698
+C[Si](C)(C)CCOCn1cc(-c2ccc(cc2)O)c3c(NC4CCCC4)nc(nc13)Nc5ccc(C(NC)=O)cc5OC	55
+CC(C)(CO)CNC(=O)c1c2nc(-c3nn(C)c4cc(F)ccc34)cnc2[nH]c1	1057
+C[Si](C)(C)CCOCn1c2c(c(C(NCC(C)O)=O)c1)c(-c3cccc(c3)[N+]([O-])=O)ncn2	56
+c12cnc(C#N)cc1c3c(OCC4CCCCN4C)ccnc3[nH]2	4581
+C[Si](C)(C)CCOCn1c2cnc(C#N)cc2c3cc(cnc13)Cl	3918
+C[Si](C)(C)CCOCn1c2c(c3cccnc13)cc(C#N)nc2	2005
+C[Si](C)(C)CCOCn1c2ncc(C(O)C)c(c2cc1)NC3CCCCC3	652
+C[Si](C)(C)CCOCn1c2c(c(C(=NN)C3CCCCC3)ncn2)cc1	8738
+c1cc(ccc1Oc2[nH]c3ccccc3n2)-c4c5n(ccc4)cc(C)n5	8739
+C[Si](C)(C)CCOCn1c2ccc(NC=O)cc2cn1	753
+C[Si](C)(C)CCOCn1cc(c2nc(N3C(=O)c4c(C3)c(Cl)ccc4)cnc12)C(=O)O	2230
+C1CN(c2c3cc(ccc3ncn2)-c4cnc5c(c4)nc(C)[nH]5)c6ccccc6C1	8740
+c1cc(ccc1-c2ccccc2)-c3c(Cl)cc4[nH]c(cc4n3)OCCC(=O)O	8741
+C[Si](C)(C)CCOCn1nc(C(=O)O)c2c1cc(Br)cc2	1
+C[Si](C)(C)CCOCn1c2c(cc(cc2)C#C)cn1	75
+C[Si](C)(C)CCOCn1c2ccc(NC)cc2cn1	695
+Clc1cnc2c(c3c(cnc(C#N)c3)[nH]2)c1	4581
+C[Si](C)(C)CCOCn1c2cnc(c(F)c2c3c1nccc3)C#N	577
+C1C(CC1)Oc2cc(-c3[nH]c4c(c(O)nnc4)c3Cl)ccc2OC	8742
+C[Si](C)(C)CCOCn1cc(C(=O)NC(C)(C)C)c2c1nc(c(Nc3cnn(C)c3)n2)C	8743
+C[Si](C)(C)CCOCn1c2c(c(NC3CCCC3)nc(Cl)n2)c(-c4ccc(cc4)O)c1	2123
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(c2c(F)c1)Oc4cc(ccc4)N	0
+C(Nc1cccc(Oc2c3c(F)c[nH]c3nc(Nc4ccn(C)n4)n2)c1)(C=C)=O	762
+C1CN(CCN1c2c(F)cccc2)c3nc4c(c(n3)O)ccn4CO	4582
+CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)Br	1057
+C[Si](C)(C)CCOCn1cc(c2nc(Nc3cnc(C)cc3)cnc12)C(=O)NC(C)(C)C	8744
+C[Si](C)(C)CCOCn1cc(c2nc(Nc3ccc(cc3)CO)cnc12)C(=O)C(C)(C)C	8745
+C[Si](C)(C)CCOCn1c2c(nc(cn2)-c3cn(CC)nc3)c(c1)C(O)=O	2230
+c1cc(ccc1CN2C(N(C3CCCCC3C)c4c5cc[nH]c5ncc24)=O)C#N	762
+C[Si](C)(C)CCOCn1c2ncc3N(Cc4ccc(cc4)C#N)C(N(C5CCCCC5C)c3c2cc1)=O	8746
+FC(F)(F)c1c[nH]c2nccc(Nc3c(F)cc(cc3)[N+](=O)[O-])c12	762
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)-c3cnn(C4(CC(C4)COC)CC#N)c3	21
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(c3)C(C)(C)CCO)c2cc1	44
+CC(C)NC(=O)c1ccc(N2CC(C2)(n3ncc(c3)-c4ncnc5c4cc[nH]5)CC#N)c(c1)F	762
+CC(C)(CCO)n1ncc(-c2ncnc3c2cc[nH]3)c1	762
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1	24
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)-c3cnn(C4(CC(C4)CO)CC#N)c3	88
+C[Si](C)(C)CCOCn1cc(C2=NN3C(=NNC3=S)C=C2)cn1	8747
+C[Si](C)(C)CCOCn1nc(c(-c2ccncc2)c1)-c3cc(CNC(c4ccc(cc4)C(F)(F)F)=O)ccc3	93
+N1CC(CNS1(=O)=O)c2ccc(NC(=O)c3nc(c[nH]3)C#N)c(C4=CCCCC4)c2	503
+CC1(C)CCC(=CC1)c2c(ccc(c2)CCS(=O)(=O)N(C)C)NC(=O)c3nc(c[nH]3)C#N	503
+CC1(C)CCC(c2cc(ccc2NC(=O)c3nc(c[nH]3)C#N)Br)=CC1	503
+C1C(=O)N(C(CC1c2cc(c(cc2)NC(=O)c3nc(c[nH]3)C#N)C4=CCCCC4)=O)C	503
+CC1(C)CCC(c2c(ccc(CCC(=O)N)c2)NC(=O)c3nc(c[nH]3)C#N)=CC1	503
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(C=3CCCCC=3)cc(cc2)C(CO)CO	59
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C=3CCCCC=3)C(CO)COC(C)=O	59
+C1N(CC1C#N)C(C(C2CC2)NC(=O)c3c[nH]c4c3nc(cn4)N5Cc6c(cccc6Cl)C5=O)=O	1057
+C1CC1c2nc3c(c[nH]c3nc2)C(NC(C)CC(NCC)=O)=O	1057
+C1CC1C(C(C)(C)C(=O)N)NC(c2c3nc(cnc3[nH]c2)C4CC4)=O	1057
+C[Si](C)(C)CCOCn1cc(C(NC(C(C)(C)C(=O)N)C2CC2)=O)c3c1ncc(C4CC4)n3	645
+C1CC(CCO1)NC(=O)c2c[nH]nc2-c3sc4c(CCCC4)n3	928
+C[Si](C)(C)CCOCn1c2c(c(c1)C(O)=O)c(-c3cc(ccc3)[N+]([O-])=O)ncn2	6
+C[Si](C)(C)CCOCn1ncc(c1)-c2ccc3n(n2)c(nn3)Sc4cc5c(nccc5)cc4	4583
+C[Si](C)(C)CCOCn1c2nc(Nc3ccn(C)n3)nc(Oc4cccc([N+](=O)[O-])c4)c2c(F)c1	1618
+C[Si](C)(C)CCOCn1cc(-c2ccncc2)c(-c3cc(ccc3)CN)n1	107
+C[Si](C)(C)CCOCn1cc(c(-c2sc3CCCCc3n2)n1)C(=O)O	6
+C[Si](C)(C)CCOCn1cc(c2c(nc(Cl)nc12)Cl)-c3ccncc3	2997
+c12c(n(cc1-c3cc(ccc3)C#N)CO)ncnc2Cl	4582
+C[Si](C)(C)CCOCn1cc(F)c2c(Oc3cc([N+](=O)[O-])ccc3)nc(nc12)Cl	8748
+C[Si](C)(C)CCOCn1c2c(c(C(O)=O)c1)nc(-c3c4ccc(cc4n(C)n3)F)cn2	2230
+C[Si](C)(C)CCOCn1c2ncc(Br)nc2c(C(=O)O)c1	2230
+CC(C)(C)C(C(N1CCC(CC1)(O)c2ccccc2)=O)NC(=O)c3c4c([nH]c3)ncc(n4)C5CC5	1057
+CC(C)(C)C(=O)c1c2c(ncc(Nc3ccc(cc3)C=C(C(N)=O)C#N)n2)[nH]c1	1057
+C[Si](C)(C)CCOCn1cc(c2nc(cnc12)Nc3ccc(cc3)C=O)C(=O)C(C)(C)C	39
+CC(C)(C)NC(=O)c1c[nH]c2c1nc(Nc3cnc(C)cc3)cn2	1057
+C[Si](C)(C)CCOCn1cc(c2nc(Nc3ccc(cc3)C=C(C(N)=O)C#N)cnc12)C(=O)C(C)(C)C	2204
+C[Si](C)(C)CCOCn1cc(c2nc(Nc3ccc(cc3)C=C(C(NC)=O)C#N)cnc12)C(=O)C(C)(C)C	2204
+FC(F)(F)c1cnc([nH]1)-c2ncc(-c3cnc(cc3C)OCC4(CCC4)C(O)=O)cc2Cl	503
+C[Si](C)(C)CCOCn1cc(nc1-c2c(Cl)cc(cn2)-c3cnc(cc3C)OCC4(CCC4)C(O)=O)C(F)(F)F	3
+FC(F)(F)c1c[nH]c(-c2ccc(cc2Cl)-c3c(C)cc(OCC4(CCC4)C(O)=O)nc3)n1	503
+C[Si](C)(C)CCOCn1cc(nc1-c2ccc(cc2Cl)-c3c(C)cc(OCC4(CCC4)C(O)=O)nc3)C(F)(F)F	3
+CC1(C)CC=C(CC1)c2cc(C3(CCS(CC3)(=O)=O)C#N)ccc2NC(=O)c4[nH]c(C#N)cn4	503
+C[Si](C)(C)CCOCn1cc(nc1C=NO)C(F)(F)F	4584
+C[Si](C)(C)CCOCn1nc2c(cc(cc2c1)F)C(OC(=N)C(Cl)(Cl)Cl)C	1664
+C[Si](C)(C)CCOCn1ccc(-c2nc3ccc(c(NC(=O)CNc4ccc(cc4)F)c3cc2)Cl)n1	1391
+c1cc(ccc1F)NCC(=O)Nc2c(ccc3nc(ccc23)-c4n[nH]cc4)Cl	928
+O=S(=O)(N1CCN(CC1)CC(n2cc(cn2)-c3ncnc4[nH]ccc34)C)c5nn(cc5)C	762
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(C(C)CN4CCN(CC4)S(=O)(=O)c5nn(cc5)C)nc3)ncnc12	2043
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(C(C)CN4CCNCC4)nc3)ncnc12	62
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C(CC#N)C4CN(CC4)c5nc(ccc5)Cl)nc3	43
+C[Si](C)(C)CCOCn1c2c(cc1)c(ncn2)C(C3CCCCC3)=O	955
+C[Si](C)(C)CCOCn1ccc2c(O)nc(Cl)nc12	4585
+c1cc(ccc1)CN2CC(C(C)CC2)N(C)c3c4cc[nH]c4ncc3	762
+C[Si](C)(C)CCOCn1c2ncc3NC(=O)N(C4C(CCCC4)C)c3c2cc1	8749
+C[Si](C)(C)CCOCn1ccc2c(N(C)C3CN(CCC3C)Cc4ccccc4)ccnc12	1635
+C[Si](C)(C)CCOCn1ccc2c(ccnc12)Nc3ccc([N+](=O)[O-])cc3F	1215
+c1(ncnc2[nH]ccc12)-c3cn(C(C4CN(CC4)c5nc(Cl)ccc5)CC#N)nc3	762
+C1CC(CCC1CC#N)n2cc(cn2)-c3ncnc4c3cc[nH]4	762
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C4CCC(CC4)COS(=O)(=O)C)nc3	7
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C4CCC(CC4)CC#N)nc3	300
+C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)C4CCNC4)c3)ncnc12	62
+CN(c1c2c([nH]cc2)ncc1)c3ccc([N+]([O-])=O)cc3F	762
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cnn(C(C4CN(C(=O)OCc5ccccc5)CC4)CC#N)c3	3744
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CNCC(F)(F)F)=O)cnc12	110
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)C=O)=O)cnc12	24
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CO)=O)cnc12	35
+c1(Cl)c([nH]cn1)C(NCc2ccc(Cl)c(Oc3cc(cc(Br)c3)C#N)c2F)=O	503
+Clc1cc(cc(Oc2c(Cl)ccc(c2F)CNC(c3c(Cl)nc[nH]3)=O)c1)C#C	503
+C[Si](C)(C)CCOCn1cnc(c1C(NCc2c(F)c(c(cc2)Cl)Oc3cc(Cl)cc(C#C)c3)=O)Cl	75
+c1(Cl)c([nH]cn1)C(NCc2ccc(Cl)c(Oc3cc(cc(c3Cl)F)C#N)c2F)=O	503
+C1COCCN1C(=O)c2c(O)ccc(-c3cc4c([nH]nc4nc3)-c5ccccc5OC)c2	8750
+C[Si](C)(C)CCOCn1nc(c2cc(ccc12)C3OCCO3)I	1435
+C[Si](C)(C)CCOCn1c2ccc(cc2c(n1)C#Cc3cc(ccc3)F)[N+](=O)[O-]	2349
+FC(F)(F)c1ccc(cc1)C(=O)NCc2cccc(-c3c(-c4ccncc4)cn[nH]3)c2	928
+C[Si](C)(C)CCOCn1nc(-c2ccc(cc2)Nc3cnccc3)c4c1-c5c(scc5)C4	2998
+C[Si](C)(C)CCOCn1c-2c(c(-c3ccc(cc3)Nc4ccc(cc4)F)n1)Cc5sccc-25	230
+C[Si](C)(C)CCOCn1c-2c(c(-c3ccc(cc3)Nc4ccc(cc4)OC)n1)Cc5sccc-25	230
+C[Si](C)(C)CCOCn1c2-c3ccsc3Cc2c(-c4ccc(cc4)Nc5ccncc5)n1	230
+c1cc(ccc1OC)-c2[nH]nc-3c2Cc4sc(-c5ccc(cc5)F)cc-34	928
+C[Si](C)(C)CCOCn1cc2cc(cc(C(O)C)c2n1)F	2129
+C[Si](C)(C)CCOCn1cc(-c2ccc(NN)nn2)cn1	599
+C[Si](C)(C)CCOCn1ncc([N+]([O-])=O)c1-c2c(ccc(Cl)c2)OC(F)F	8751
+C[Si](C)(C)CCOCn1c(-c2c(ccc(Cl)c2)OC(F)F)c(cn1)N	209
+c1(n2c(nn1)ccc(-c3c[nH]nc3)n2)Sc4ccc5ncccc5c4	928
+C[Si](C)(C)CCOCn1ncc2c1cc(N)c(CNC(c3ccccc3)C)n2	473
+C[Si](C)(C)CCOCn1ncc2c1cc(NC(OC(C)(C)C)=O)c(CNC(c3ccccc3)C)n2	294
+C[Si](C)(C)CCOCn1c2c(cn1)cc(cc2)N	0
+n1cc(-c2cc3c[nH]nc3cc2)ccc1	8752
+C[Si](C)(C)CCOCn1ncc2cc(-c3cccnc3)ccc12	1617
+C[Si](C)(C)CCOCn1ncc2c1cc(c(C=O)n2)NC(=O)OC(C)(C)C	1436
+C[Si](C)(C)CCOCn1c(C(c2cc3c(NC(=O)S3)cc2)O)ccn1	4586
+C[Si](C)(C)CCSc1cc(c(OCc2ccccc2)c3ncccc13)Cl	2039
+c1ccc(cc1C2(c3cccc(c3)Cl)C4CN(CC4C(CC2)=O)Cc5ccccc5)Cl	8753
+C[Si](C)(C)Cn1cc(-c2nc(ccc2)Br)nn1	8754
+C[Si](C)(C)CNC(=S)c1cc(c(cc1)Br)C	581
+C[Si](C)(C)CNC(=S)c1cc(C#N)c(cc1)-n2ncnc2	581
+C[Si](C)(C)OC(N=Cc1cc(I)ccc1OCC=C)=C	4587
+C[Si](C)(C)OC(=C)N=Cc1cc(ccc1Oc2ccc(cc2)OC)Br	4587
+C[Si](C)(C)c1c(C(=O)NCC)c(ccc1Cl)Cl	1091
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(C#C[Si](C)(C)C)n3)n1)C	4182
+C[Si](C)(C)OC(CC#C)(C(F)F)CCCC	19
+C[Si](C)(C)c1c(F)c(ccc1Br)F	1091
+C[Si](C)(C)OC(CC#C)CCCC	19
+C[Si](C)(C)c1ccc(Br)cc1F	1803
+C[Si](C)(C)c1c(cc(cc1F)Cl)F	1091
+C[Si](C)(C)C1c2cc(ccc2-c3n(c4c(c(C)cc(c4)C)c13)C)F	8755
+C[Si](C)(C)OC(=C)CCOCc1ccccc1	8756
+C[Si](C)(C)c1cccc(c1C(NCC)=O)Cl	1091
+C[Si](C)(C)OC1C(NC1=O)c2ccccc2	1952
+c1cc(ccc1Br)-c2c(C(=O)OCC)n(nn2)C	2999
+c1(-c2nc(ccc2)Br)nnn(C)c1	2999
+C1CN(CCC1Cn2ccc3cc(-c4cn(C)nn4)ccc23)C(CCc5ccccc5)=O	2999
+c1ccccc1C2CC(c3c(O2)cc(c(c3)-c4cccnc4F)F)=NC#N	8757
+c1cc(ccc1OC)-c2nc(oc2-c3ccc(cc3)OCCNC(=O)N)OC	8758
+Clc1cccc(Cl)c1COc2ccc3c(cc(n3CCCc4[nH]nnn4)C(NCC(C)C)=O)c2	3988
+FC(F)(F)c1cn(nn1)-c2c(-c3cc(OC)ncn3)cc(C)cc2	8759
+FC(F)(F)C(Nc1ncc(c2c1c3c(cc(cc3)-c4[nH]nnc4)[nH]2)C(=O)N)C5CC5	8760
+FC(F)(F)c1cccc(CN2C(=O)N(c3ccc(cc3)N4CCOC4=O)C=C(c5[nH]nnn5)C2=O)c1C	3563
+FC(F)(F)c1c(C)c(CN2C(C(c3[nH]nnn3)=CN(c4ccc5c(N(C)C(=O)N5C)c4)C2=O)=O)ccc1	8761
+c1(-c2ccc(Cl)c(c2)CNC(OC)=O)[nH]nnc1	3000
+c1ccccc1C(C(OCC)=O)c2[nH]nnn2	8762
+c1cc(ccc1)-c2n(nnn2)Cc3ccccc3	2497
+c1cc(ccc1)Cn2nnnc2C3CCCN3C(=O)OCc4ccccc4	4164
+c1ccccc1COc2c(-c3nnnn3CCCOC)cc(c(OCc4ccccc4)c2)Br	2497
+c1ccccc1N=[N+]=[N-]	8763
+c1cc(ccc1)S(=O)(=O)c2cccc3cc([nH]c23)C(=O)Nc4c(cc(cc4)I)-c5[nH]nnn5	2162
+c1cc(ccc1-c2nnn[nH]2)C(=O)N(OC)C	2162
+c1cc(ccc1-c2[nH]nnn2)CCC(C=Cc3c(cccc3)OCCCCCc4ccccc4)CCCCC(OCC)=O	1711
+c1cc(ccc1OCCCCOc2c(C)c(c(cc2)C(CCC)=O)O)-c3[nH]nnn3	2162
+c1cc(ccc1OCCCCOc2ccc(c(c2Br)O)C(C)=O)-c3[nH]nnn3	4440
+c1cc(ccc1CN2C(C=CC(c3ccc(cc3)Cc4nnn[nH]4)=C2)=O)Cl	3895
+c1cc(ccc1CC2=C(n3c(ccn3)N(C4CCOCC4)C2=O)CCC)-c5ccccc5-c6[nH]nnn6	8764
+c1cc(ccc1F)-n2ccc3c2ccc(-c4nn[nH]c4)c3	3000
+c1cc(ccc1F)COc2cc(c(cc2)N3C(NN=N3)=O)F	8765
+c1cc(ccc1S(=O)(=O)n2ncc3c(cc(cc23)Br)-c4nnn[nH]4)C	1711
+c1cc(ccc1)-c2[nH]nnc2-c3c4c(nc(OC)c(OC)n4)cc(Cl)c3Cl	8766
+c1cc(ccc1CC=2C(=O)N(Cc3ccccc3)C(C)=CC=2OCCC)-c4ccccc4-c5[nH]nnn5	1711
+c1nc(NC2c3cc(-c4[nH]nnc4)ccc3N(C(C)C2)C(=O)C)ccc1C	3000
+C[Si](C)(C)OC(C=1N2C(C(NC=O)C2S(CC=1CBr)=O)=O)=O	8767
+O(C)CCOc1ccnc(N)c1	2987
+c1cc(ccc1-c2ccccc2)COCc3ccc(nc3)N	2987
+c1ccccc1C(c2ccccc2)=CCN3CCN(CC3)c4ccc(cc4)C(=N)N	8768
+CC(C)(C)OC(=O)Oc1cc(C#CC(C)(C)O[Si](C)(C)C)c(-c2c(ccc(OC)c2)F)cc1	1247
+C[Si](C)(C)OC(C)(C)C#CC(=O)c1ccc(cc1)C#N	8769
+c1cc(ccc1C(C#CC(C)(C)O)=O)C#N	4144
+C[Si](C)(C)OC(CCCC)CC=CI	8770
+OC(CC=CI)CCCC	353
+c1cc(ccc1)C(C(C)(C)C(OC)=O)c2cc3c(cc2)c(n[nH]3)-c4ccccc4	8771
+OC(C(=O)OC)c1csc(C)n1	8772
+C[Si](C)(C)c1ccc(cc1)C=C(F)c2nn(c(C)c2)Cc3ccnc(c3)N4CCN(CC4)C5CC5	3001
+C1CC1N2CCc3cc([N+]([O-])=O)ccc3CC2	3001
+Clc1ccc2SCCC(C(=O)O)c2c1	8773
+C[Si](C)(C)OC1C(O)C(OC(CO[Si](C)(C)C)C1O)c2cc(Cc3ccc(cc3)OCCOC4CCCCC4)c(cc2)Cl	353
+C[Si](C)(C)OCC1OC(c2ccc(Cl)c(Cc3ccc(cc3)COC4CC4)c2)(OC)C(C(C1O)O)O[Si](C)(C)C	353
+C[Si](C)(C)OCC1OC(c2cc(c(Cl)cc2)Cc3ccc(cc3)OCC(F)F)(OC)C(C(C1O)O)O[Si](C)(C)C	353
+C[Si](C)(C)OCC1OC(c2ccc(c(c2)Cc3ccc(cc3)OCCOC4CCCCC4)Cl)C(O)C(O)C1O	353
+c1cc(ccc1COC2CC2)Cc3c(ccc(C4(OC(CO)C(C(O)C4O)O)OC)c3)Cl	353
+c1cc(ccc1Cc2cc(C3(OC(CO)C(C(O)C3O)O)OC)ccc2Cl)OCC(F)F	353
+C[Si](C)(C)OC1C(C(CO[Si](C)(C)C)OC(c2cc(Cc3ccc(cc3)COC4CC4)c(Cl)cc2)(OC)C1O[Si](C)(C)C)O	353
+C[Si](C)(C)OC1C(C(CO[Si](C)(C)C)OC(c2ccc(Cl)c(c2)Cc3ccc(cc3)OCC(F)F)(OC)C1O[Si](C)(C)C)O	353
+C[Si](C)(C)OC1C(C(CO[Si](C)(C)C)OC(C1O)c2cc(c(Cl)cc2)Cc3ccc(cc3)OCCOC4CCCCC4)O[Si](C)(C)C	353
+C[Si](C)(C)OCC1OC(C(C(O)C1O)O[Si](C)(C)C)(OC)c2c(CCCOCC#CC)cc(c(c2)Cc3ccc(cc3)OCC)Cl	353
+c1cc(ccc1OCC)Cc2c(Cl)cc(CCCOCC#CC)c(c2)C3(OC)C(C(C(C(CO)O3)O)O)O	353
+C[Si](C)(C)OCC1OC(C(C(O)C1O)O)(c2c(CCCOCC#CC)cc(Cl)c(Cc3ccc(cc3)OCC)c2)OC	353
+C[Si](C)(C)OC1C(OC(CO)C(O)C1O)(c2ccc(Cl)c(Cc3ccc(cc3)OCC(F)F)c2)OC	353
+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(c2cc(Cc3ccc(cc3)OCC)c(cc2CCCOCC#CC)Cl)(OC)OC(CO[Si](C)(C)C)C1O	353
+C[Si](C)(C)OC1C(OC(CO)C(O)C1O)(c2cc(c(Cl)cc2)Cc3ccc(cc3)COC4CC4)OC	353
+c1cc(ccc1OCCOC2CCCCC2)Cc3c(ccc(C4C(O)C(O)C(O)C(CO)O4)c3)Cl	353
+N#Cc1nccc(CO)c1	353
+C[Si](C)(C)ONC(C(S(=O)(=O)C)(C)CCc1cnc(Br)cc1)=O	293
+c1cnccc1Cc2nc(on2)C(CCCC3CCCCC3)CC(NO)=O	3669
+C1CC(CCC1)CCCC(CC(NO)=O)c2nc(C(N3CC(C3)C(OC)=O)=O)no2	4588
+O=S(=O)(C)C(C(=O)NO)(CCc1cnc(Br)cc1)C	4588
+C[Si](C)(C)OC(c1ccc(cc1)-n2cncn2)=C	8774
+c1cc(ccc1)-c2c[nH]c3c2cc(Cl)cc3[N+]([O-])=O	8775
+C[Si](C)(C)c1c(c(F)c(C(=O)O)cc1Br)F	634
+C[Si](C)(C)c1c(c(-c2cc(cnn2)-c3ccc(F)c(-c4c(F)cccc4C#N)c3)ncc1F)F	8776
+N#Cc1c(c(F)ccc1)-c2cc(ccc2F)-c3cc(-c4c(cc(cn4)F)F)nnc3	8777
+c1c(c(C=O)c(Cl)cc1F)F	4589
+O=Cc1c(Cl)cc(c(c1F)I)F	1058
+O=Cc1c(c(F)cc(c1)Br)F	4589
+C[Si](C)(C)c1c(cc(C(Cc2ccc(cc2)Cl)=O)c(F)c1F)Br	8778
+C[Si](C)(C)c1cc(nnc1Cl)NN	599
+C[Si](C)(C)c1c2n(Cc3cccc(F)c3)c(cc2ccc1)C(=O)O	6
+C[Si](C)(C)c1cc(F)c(cc1)Nc2c(C(OCC)=O)oc3ccncc23	4590
+C[Si](C)(C)c1cc(c(cc1)Nc2c(oc3c2c(Cl)ncc3)C(OCC)=O)F	4590
+c1c(I)cc(c(c1)NC=2C(=C3SCCN3C(C=2C)=O)[N+]([O-])=O)F	1058
+c1c(I)cc(c(Nc2c3c(oc2C(=O)OCC)ccnc3)c1)F	1058
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(nc(nc3OC)NCCO)OC)=O	118
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(nc(nc3OC)NCCN)OC)=O	273
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(nc(nc3OC)NCCOS(=O)(=O)C)OC)=O	7
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(nc(nc3OC)NCCNCc4ccccc4)OC)=O	285
+c1c(I)cc(c(c1)NC2=C(C(N3C(OCC3)=C2[N+]([O-])=O)=O)C)F	1058
+c1c(I)cc(c(Nc2c3c(oc2C(=O)OCC)ccnc3Cl)c1)F	1058
+C[Si](C)(C)c1cccc(c1)C#Cc2cc(Br)ccc2	129
+C[Si](C)(C)c1cccc(C=C(N=[N+]=[N-])C(=O)OCC)c1	8779
+C[Si](C)(C)c1cc(NNC(c2c(F)cccc2)=O)nnc1Cl	1798
+C[Si](C)(C)c1cc2cc(C(OCC)=O)n(Cc3cc(ccc3)C)c2cc1	8780
+c1c(I)cc(c(Nc2c(ncc(CNC=O)n2)C(=O)OC)c1)F	1058
+C[Si](C)(C)c1ccc(c(F)c1)Nc2nc(cnc2C(OC)=O)CN	4212
+C[Si](C)(C)c1cc(F)c(cc1)N	0
+CC(C)(C)OC(c1c(Nc2c(cc(I)cc2)F)c3cnsc3cc1)=O	1058
+C[Si](C)(C)c1ccc(Nc2nc(C#N)cnc2C(=O)OC)c(F)c1	8781
+C[Si](C)(C)c1ccc(Nc2c(ncc(n2)CNC=O)C(OC)=O)c(F)c1	707
+C[Si](C)(C)c1ccc(cc1)C#Cc2cccc(Br)c2	129
+C[Si](C)(C)c1ccc(cc1)C=C(F)c2nn(Cc3ccnc(Cl)c3)c(C)c2	1944
+C[Si](C)(C)c1ccc(cc1)CNCCc2cccc(C(F)(F)F)c2	42
+C[Si](C)(C)c1ccc(cc1)CN(CCc2cc(ccc2)C(F)(F)F)C(=O)c3c4[nH]ccc4cc(Cl)c3F	211
+C[Si](C)(C)c1ccc(cc1)-n2c(C)c(cc2-c3c(Cl)cc(cc3)Cl)C(=O)OCC	4591
+C[Si](C)(C)c1ccc(cc1)N	0
+C[Si](C)(C)c1cc2c([nH]c(C(=O)OCC)c2)cc1	4592
+C[Si](C)(C)c1c(ccc(Cl)c1C(=O)NCC)[N+]([O-])=O	8782
+C[Si](C)(C)c1nn(c(c1)C(=O)O)-c2ccc(cc2)OCCN3CCOCC3	6
+C[Si](C)(C)c1nn(-c2ccc(cc2)O)c(C(=O)OCC)c1	186
+c1cc(ccc1[Si](C)(C)CCl)Cl	1803
+C(C)N(CC)C(=O)c1c(ccc2c1cccc2)[Si](C)(C)CI	8783
+O(C)c1c(F)cc2C(C(Cc2c1C)CCCC)=O	8784
+c12c(nc[nH]1)c(c(N)cc2)C	8785
+c1cc(ccc1F)-c2n(-c3ccccc3)c4c(nc(C(=O)OCC)c(O)c4c2C#N)C	8786
+c1cc(ccc1Cn2c(nc3cccc(C(=O)OCC)c23)OCC)-c4ccccc4-c5[nH]nnn5	8787
+c1cc2c(cc(cn2)C#N)cc1Cc3cc(ccn3)C(=O)OC	8788
+c1cc(ccc1N2C(OC(Cn3nnc(c3)C)C2)=O)-c4ccc(C=5CC(CO)ON=5)s4	8789
+CC(C)(C)[Si](C)(C)OCC1CC(=NO1)c2ccc(cc2)-c3ccc(cc3)N4CC(Cn5ccnn5)OC4=O	8790
+O=S(=O)(c1cnc(cc1)-c2cnc(c(-c3sc4C(NCCc4c3)=O)c2)N)N(C)CC	8791
+c1cc(C(=O)c2c(C)n(c3ccccc23)CCNc4ccc(c(c4)OC)C(OC)=O)c5c(cccc5)c1	1277
+Cc1ccccc1-c2ncncc2N	193
+Cc1c(cccc1)-c2c(ccc(I)c2C)SC	158
+FC(F)(F)c1c(Cl)cc(cc1)C(=O)N(C)c2cnccc2-c3ccccc3C	3002
+FC(F)(F)c1ccc(c(C(N(C)c2c(ccnc2)-c3ccccc3C)=O)c1)F	4593
+Cc1c(-c2cc3ncc([N+]([O-])=O)c(c3cc2OC)Cl)c(C)on1	120
+Cc1c(-c2cc3ncc4nc(n(Cc5ncccc5)c4c3cc2OC)N)c(C)on1	8792
+Cc1c(-c2cc3c(c(c(N)cn3)NC(C)COC)cc2OC)c(C)on1	13
+Cc1c(-c2cc3c(c(c(N)cn3)NCc4ncccc4)cc2OC)c(C)on1	13
+Cc1c(-c2cc3c(c(c([N+]([O-])=O)cn3)NC(C)COC)cc2OC)c(C)on1	105
+Cc1nc(O)ccc1-c2cn3c(ncc3)cc2	2203
+C(Nc1nc(C)c(-c2csc(CC#N)n2)s1)(=O)n3cncc3	8793
+OCc1ccc(C)c(-c2ncccc2)n1	59
+O=S(=O)(CCN1Cc2cccc(Nc3nc(-c4ccccn4)c(C)cc3)c2CC1)C	781
+Cc1c(-c2nnc(SCCCN3CC4(CC3)CCc5cc(Cl)ccc45)n2C)sc(C)n1	53
+O=S(=O)(OCCCOc1cc(Nc2cc(-c3c(-c4cnccc4)c(C#N)c(SC)s3)c(cc2)C)ccc1)C	7
+Cc1nn(-c2ccc(cc2F)O)c(I)c1C#N	8794
+Cc1c(C#N)c(n(-c2ccc(cc2F)O)n1)N	5
+Cc1c(nc2n1nc(cc2)Cl)C#N	1751
+Cc1noc(C)c1C(Nc2cc(ccc2O)CC(OC)=O)=O	2965
+c1(C)nc2sc(c(Br)c2c(N)c1)C	1220
+c1(C)nc2c(c(N)c1)c(c(Br)s2)-c3cc(ccc3)OC	1220
+Cc1n(c2cc(OC)ccc2c1C(NC)=O)CC	56
+c1ccccc1C(C)OC(Nc2n(-c3c(cc(Br)cc3)OC)nnc2C)=O	2907
+Cc1c(C(=O)O)n(nn1)-c2ccc(cc2OC)Br	1
+Cc1n2c(nc1C(=O)O)ccc(Cl)n2	1
+Cc1c(C(=O)N)nc2n1nc(cc2)Cl	2232
+Cc1c(C(=O)O)c2n(c(cc(C)c2)OCc3c(F)cccc3Cl)n1	6
+Cc1c(C(C)C(OCC)=O)ccc(n1)N	161
+CC(C)Oc1ccc(S(=O)(=O)N)cc1Nc2scc(-c3c(C)nc(C)n3C)n2	8795
+O=[N+]([O-])c1c(cc(c(C)c1)C)NCCCN	250
+c1(oc(c(C)c1)C)Cc2ccccc2Br	2233
+Cc1c(C)cc(o1)Cc2cc(ccc2)Br	2233
+c1cc(ccc1Br)Cc2cc(C)c(C)o2	2233
+c1ccccc1-c2cc3c(nc(C)cc3nc2N)C	8796
+Cc1nc(SC)nc(Cl)c1CC(OC)=O	64
+Cc1nc(nc(Cl)c1CCCCCC)N	64
+Cc1c(C=O)c(N)cc(C)n1	200
+c1cc(ccc1)Cn2cc(C(=O)OCC)c(OCc3cc(OCc4nc(oc4C)-c5ccco5)c(cc3)OC)n2	4594
+Cc1c(COc2cc(ccc2OC)CCl)nc(-c3occc3)o1	109
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4nc(-c5cc(C#N)ccc5)oc4C)cc3)OC)n2	4595
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(cc3)OCc4c(oc(C=CC(OCC)=O)n4)C)OC)n2	4595
+Cc1c(COc2ccc(cc2OC)CCl)nc(-c3cc(ccc3)C#N)o1	109
+Cc1c(COc2ccc(cc2OC)CCl)nc(C=CC(OCC)=O)o1	109
+Cc1c(COc2cnc(cc2)C(=O)O)c(no1)-c3ccc(cn3)F	1
+Cc1c(COc2cnc(cc2)C(=O)O)c(no1)-c3ncccc3	1
+Cc1c(COc2ncc(C(=O)O)cc2)c(no1)-c3ccncn3	1
+Cc1c(COc2nnc(cc2)C(NC)=O)c(no1)-c3cc(F)ccc3	780
+c1(c(C)c(SC)nnc1N)C	1929
+c1cc(ccc1F)-c2cn3nc(c(C)c(C)c3n2)Cl	1749
+CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12	14
+c1cc(ccc1)C2(NC(N(CC(c3c(F)cc(cc3)NC(=O)Nc4c(C)noc4C)=O)C2=O)=O)CCC	8797
+c1cc(C)c(OC)c(Oc2c(F)cccc2)c1	297
+Cc1nc2cccc(c2nc1Cl)Br	1221
+Cc1nc2cccc(Cl)c2nc1Cl	1221
+Cc1c(OC)cc(c(C(C)=O)c1)C	155
+C(=NO)(C)c1c(C)cc(OC)c(C)c1	189
+Cc1cc(-n2c(c(C)c(C)n2)C)ccc1O	5
+Cc1c(C(=O)O)c(-c2cc(C)c(cc2)Br)on1	1
+Cc1nccc(-c2ccc(Cl)cc2F)c1CO	269
+CC(C)c1ccc(cc1)C2c3c(C)c(c(c(c3OC2=O)C)Br)C	8798
+c1cc(ccc1C#N)Nc2cc(nc(C)c2[N+]([O-])=O)C	179
+c1(cc(cc(C)c1Sc2nc(nc(C)c2[N+]([O-])=O)Cl)Br)C	1124
+O=S(=O)(C)c1nc(c(C(C)CC)c(Cl)n1)C	737
+C(c1cccc(I)c1C(=O)OC)Br	4597
+Cc1c(CO)c(N)cc(C)n1	351
+Cc1c(c(Cl)nc(SC)n1)C(C)CC	64
+Nc1cccc(C)c1Br	0
+N#Cc1c(Cl)cc(cc1)-c2c(n(Cc3cnc(Br)cc3)nc2C)C	8799
+Cc1c(F)c(c(CN)c(O)n1)C	388
+Cc1c(c(Br)c(C)c(O)c1)C	1437
+c1c(c(c(c(C)c1)[N+]([O-])=O)C)OC	450
+Ic1c(O)c(c(nc1C)C)[N+](=O)[O-]	583
+c1c(c(ccc1)Nc2cccc(C)c2C)CO	98
+c1(ccccc1Nc2cccc(C)c2C)CNO	1059
+c1cc(ccc1CO)Sc2c(O)nc(nc2C)N	8800
+Cc1nc(Cl)c(cc1C(=O)OCC)C#N	137
+c1c(C)c(N2CCC2=O)cc(N)c1C	0
+Cc1c(cc2CCCCC(O)c2n1)C(=O)OCC	59
+c1cc(ccc1C(N(C)C(=O)CN2c3c(cc(c(C)c3)C)N=CC2=O)CN4CCOCC4)-c5ccccc5	10
+FC(F)(F)S(=O)(=O)Oc1cc2c(nc(SC)nc2)nc1C	4599
+c12ccccc1cc(c(C)c2)CO	41
+c1cc(ccc1-c2ccc(cc2C)C#N)OC	11
+CCCCc1c(C)nc(O)c(c1)[N+](=O)[O-]	475
+c1cc(ccc1)COC(=O)c2cc(ccc2)Oc3ccc(O)c(C)c3	470
+Cc1c(ccc(n1)N)OC(C)=O	161
+C(OCCOc1ccc(c(C)c1)Br)C	8
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3ccc(c(c3)C)Br	951
+Cc1c(ccc2nc(C(=O)OCC)cn12)Br	1959
+Cc1nc(ccc1CN)N	388
+Cc1ccccc1-c2ccncc2N	13
+Cc1c(-c2c(ccc(N)c2C)SC)cccc1	8801
+c1cc(ccc1-c2nc(c3c(n2)CCN(C(=O)Nc4cc(CC)ccc4)C3)-c5ccccc5C)F	345
+Cc1c(-c2c([N+]([O-])=O)cncn2)cccc1	511
+c1cc(C)c(cc1)C(c2c(C)cccc2)N3C=CC=C(C(=O)OC)C3=O	4600
+C(c1ccc2oc(cc2c1)Cc3cccnc3C)C(=O)O	4
+Cc1c(nc(-c2cc(ccc2)Br)o1)CC(=O)O	459
+Cc1c(nc(-c2cc(ccc2)Br)o1)CCO	21
+c1cc(ccc1F)-c2cccc(c2)-c3oc(C)c(CCO)n3	11
+c1(C=O)cc(c(cc1)OCc2nc(-c3cc(ccc3)C#N)oc2C)OC	547
+Cc1c(nc(-c2cnc(cc2)Cl)o1)CCO	95
+O=S(=O)(OCCc1c(oc(n1)-c2ccc(Cl)nc2)C)c3ccc(cc3)C	36
+c1cc(ccc1)-c2ccc(cn2)-c3nc(CCOc4ccc(c(c4)C)CCC(=O)OC)c(o3)C	8802
+OCc1ccc(C)c(n1)C#N	59
+Cc1c(nnn1-c2cc(Cl)c(F)cc2)C(Nc3ccnc(Cl)c3)=O	4484
+Cc1nc(sc1CO)-c2ccc(Cl)cc2OC	8803
+Cc1c(-c2csc(n2)Nc3cc(ccc3OC)Br)sc(C)n1	8804
+c1c[n+](c(c2OCOc12)C)[O-]	103
+Cc1c2c(ccnc2n(-c3ncccc3)n1)O	1220
+c1ccccc1CN2C(c3c(onc3C)N=C2CCC)=O	8805
+Cc1c2c(c[nH]c2ncn1)I	1996
+Cc1nn(C(C)c2cc(Cl)c(c(c2OC)-c3cnc(cc3)C#N)C)c4c1c(ncn4)N	2649
+c12c(c(c(c(n1)O)C)C)c(c(CC=C)cc2C)O	423
+Cc1c2c(O)c(cnc2n(-c3ncccc3)n1)C(=O)O	6
+n1cnc2c(c1Cl)cccc2C	64
+c1cc(ccc1S(=O)(=O)n2cc(c3c(ncnc23)C)I)C	276
+Nc1c(nc2c(cccc2C)c1)N	13
+c1cc(ccc1F)N2CCN(CC2)CCCN3C(c4c(cn(C)c4C(CC3)=O)C)=O	53
+Cc1c2c(nc(cc2CO)Br)n(C3CCCCO3)n1	217
+O=S(=O)(OCc1cc(Br)nc2n(nc(C)c12)C3CCCCO3)C	7
+c1cc(ccc1-c2nc3n(nc(c3c(CO)c2)C)C4CCCCO4)OCOC	119
+Cc1c2c3c(ccc2nn1C)CCC3=CC#N	2011
+Cc1c2cc(C(Nc3c(Cl)ccc(c3)C(=O)OC)=O)c(O)nc2nc(OC)n1	246
+Cc1c2cc(C(=O)O)c(O)nc2nc(OC)n1	6
+Cc1c2cc(C(Nc3c(Cl)ccc(C(=O)O)c3)=O)c(O)nc2nc(OC)n1	1
+FC(F)(F)C=1NC(=C(C#N)C(C=1C#N)c2cc3c([nH]nc3C)cc2F)CCC(F)(F)F	4601
+FC(F)(F)C1=C(C#N)C(c2ccc3c(c(C)[nH]n3)c2)C(=C(C(F)F)N1)C#N	4601
+O=S(=O)(C)OCC1CN(c2ccc3c(onc3C)c2)C(O1)=O	7
+Cc1c2ccc(cc2n(-c3ccnc(N)n3)n1)I	8806
+Cc1c2n(nc(-c3cc([N+]([O-])=O)ccc3)nc2-n4ncnc4)c(C)n1	8807
+c1c(OC)c(c(cc1Nc2nc(nn3c(nc(C)c23)C)-c4cc([N+](=O)[O-])ccc4)OC)OC	8808
+Cc1c2nc(C3C(C(Cl)=O)C3)nn2c(C)cn1	130
+c1(n2c(nc1C3C(c4nn5c(cnc(c5n4)C)C)C3)c6c(cc2)nccc6)C	8809
+Cc1c2nc(C3C(C(N(OC)C)=O)C3)nn2c(C)cn1	1080
+Cc1c2nc(C3C(C(=O)O)C3)nn2c(C)cn1	3
+Cc1c2nc(nn2c(C)cn1)CCc3ccc(c(n3)N)O	161
+Cc1c2nc(nn2c(C)cn1)CCc3ccc(c(n3)[N+]([O-])=O)O	3004
+c1c(c(c(OC)cc1)COc2ccc(-n3c(c(C)c(C)n3)C)cc2C)N4N=NN(C4=O)C	22
+C(Cl)(=O)c1ccc(C#N)cc1C	82
+NNC(c1ccc(C)cc1C)=O	296
+c1c(C)cc(C)c(O)c1-c2occc2	1752
+FC(F)(F)C=1C=C(N(Cc2c(cc(C)cc2)C)C(=O)C=1C#N)c3cccc(Br)c3	8810
+c1(cc(cc(C)c1C(=O)c2ccccc2C(O)=O)C)C	1943
+FC(F)(F)C(O)c1c(cccc1)-n2c(C)cc(C)n2	568
+c1cc(ccc1Cl)Nc2c3ncn(CC)c3nc(n2)-n4c(cc(n4)C)C	2963
+Cc1cc(cc(c1)C(=O)OC)COC(C)=O	283
+CCOP(OCC)(=O)Cc1c(C)cc(CCl)c(C)c1	1060
+c1(C(=O)O)cc(CO)cc(C)c1	1
+c1(C(O)=O)nn(Cc2cc(C)on2)c3ccccc13	1
+c1(Br)cc(C)cc2[nH]nc(N)c12	575
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OCC)-c4c(C(CC=Cc5cc(ccc5)C)O)c(no4)C	1046
+c12[nH]nc(-c3[nH]c4c(cc(C)c(c4)C)n3)c1cccc2	567
+c1(NC(Nc2cc(ccc2)-c3csc(-c4cncnc4N)n3)=O)cc(C)ccc1	124
+Cc1c(cc(C)c(c1)SC#N)O	2871
+COc1cc(C)ccc1Cl	297
+C(C(=O)O)COc1cc(C)ccc1F	4602
+OB(O)c1c(C)cc(C)c(OCCC=C)c1	422
+c1(c(C)cc2c[nH]nc2c1)[N+]([O-])=O	1559
+c1(C)cc(cc(C)c1)C(c2cc(C)cc(C)c2)N3C=CC=C(C3=O)C(OC)=O	4600
+c1c(C)cc(cc1C(c2cc(C)cc(c2)C)O)C	257
+c1cc(ccc1C(C(=O)O)=Cc2cc(C)cc(C)c2)O	3006
+c1cc(ccc1S(=O)(=O)N)N=Cc2cc(C)cc(c2)C	457
+c1(cc(cc(C)c1S(=O)(=O)Cl)NC(=O)C)C	240
+c1ccccc1Nc2cc(C)cc(C)c2	8811
+Cc1cc(cc(C)c1)Nc2c(C(N)=O)c(SC)nc(SCC)n2	2529
+Cc1cc(cc(C)c1)Nc2nc(SCC)nc(c2C(=O)N)S(=O)C	1056
+Cc1cc(cc(C)c1)Nc2cc(Cl)nnc2C(N)=O	314
+c1c(C)cc(cc1OCC(=O)C)C	86
+c1c(C)c(c(cc1OCC2COC(C)(C)O2)C)-c3c(C)c(ccc3)C=O	760
+Cc1cc(cc(C)c1-c2c(nn3c(cc(C)nc23)NCCN)C)Cl	1005
+Cc1cc(cc(C)c1-c2c(C)nn3c(cc(nc23)C)Cl)Cl	1591
+c1c(C)c(c(cc1OCc2ncco2)C)-c3c4CCC(c4c(cc3)F)Oc5ccc6c(c5)OCC6CC(OC)=O	4151
+Cc1cc(cc(C)c1-c2cccn3c2cc4nc(C)nc(c34)Cl)C	1268
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(c3ccc(cc3)C(=O)O)C(C)C	1
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(c3ccc(cc3)C(NCC(C(=O)O)O)=O)C(C)C	4
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(c3ccc(cc3)C(=O)NCC(O)C(OC)=O)C(C)C	14
+Cc1cc(cc(C)c1-c2c(C)c(ccc2)C(=O)N(C)OC)OCC3COC(C)(C)O3	280
+Cc1cc(cc(C)c1-c2cccn3c4c(nc(C)nc4NCCN)cc23)C	8812
+c1cnccc1C(Nc2scc(-c3c(C)cc(cc3C)O)n2)=O	900
+Cc1cc(cc(C)c1-n2c3nc(C)nc(c3c(c2)C)O)C	8813
+Cc1cc(cc(C)c1-n2c(nc3c(NCCCl)cc(C)nc23)C)C	15
+c1c(C)c(c(cc1C)C)-n2c3nc(C)nc(Cl)c3c(C)c2	1032
+c1c(C)c(c(cc1NC(=O)C)C)-c2csc(N)n2	2579
+c1c(C)c(c(cc1Cl)C)-c2csc(N)n2	354
+Cc1cc(cc(C)c1-c2csc(N)n2)O	354
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)(C(=O)N)N)NC	527
+C1CN(CCC1(N)C#N)S(=O)(=O)C=Cc2c(C)cc(cc2C)N3C(NC(=O)C3(C)C)=O	661
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)(N)C#N)NC	661
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)=O)N3C(NC(=O)C3(C)C)=O	97
+c1c(C)c(c(cc1OCc2ccccc2)C)CO	41
+c1c(C)c(c(cc1Br)C)CC(=O)C=Cc2ncccc2	8814
+c1(C)cc(cc(C)c1CC(=O)N(C)OC)Br	164
+Cc1cc(cc(C)c1Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)NC(C(=O)O)=O	1581
+c1c(C)c(c(cc1CO)C)Cc2ccc(c(c2)C(C)C)OCOC	98
+FC(F)(F)c1[nH]c2c(Br)cccc2c1CCCOc3cc(C)c(c(C)c3)Cl	20
+Cc1cc(cc(C)c1Cl)OCCCc2c3c(c(ccc3)Br)[nH]c2	20
+Cc1cc(cc(C)c1Cl)OCCCc2c(C(OCC)=O)[nH]c3c(cccc23)-c4ccco4	8815
+Cc1cc(cc(C)c1Cl)OCCCc2c3cccc(-c4ccco4)c3[nH]c2C(=O)O	6
+Cc1cc(cc(C)c1Cl)OCCCc2c([nH]c3c2cccc3-c4ccco4)C(NS(=O)(=O)c5ccccc5)=O	3007
+c1cc(ccc1)OCc2nn(c(C)c2-c3c4c(c(CCCOc5cc(C)c(c(C)c5)Cl)c[nH]4)ccc3)C	20
+c1ccccc1COc2cc(Oc3c(C)cc(cc3C)[N+]([O-])=O)ccc2OC	415
+O=S(=O)(NC(=O)c1cc2ccc(C#N)cc2n1Cc3c(C)cc(cc3C)C)c4cccc([N+](=O)[O-])c4	3007
+Cc1cc(cc(C)c1F)C(NCCc2ccc(cc2)C(C)C)=O	93
+CC(C)c1cc2c(CCN=C2c3cc(C)c(c(c3)C)F)cc1	1753
+Cc1cc(cc(C)c1NC(=O)c2sccc2NS(=O)(=O)c3ccccc3)C	864
+c1c(C)c(c(cc1C(=O)O)C)NC(c2cc(N3CCC(CC3)O)nc4ccccc24)=O	1
+Cc1cc(cc(C)c1Nc2nc3cc(cc(c3s2)[N+](=O)[O-])C(=O)O)C	1
+Cc1cc(cc(C)c1Nc2nc3cc(cc([N+]([O-])=O)c3s2)CCl)C	2164
+c1(cc(cc(C)c1Nc2sc3c(cc(cc3[N+](=O)[O-])C)n2)C)C	8816
+Cc1cc(cc(C)c1Nc2nc3cc(cc([N+](=O)[O-])c3s2)CO)C	49
+c1c(C)c(c(cc1-c2oc3c(n2)cnc(Oc4c(cccc4)F)n3)C)O	893
+c1cc(ccc1)Cn2c3c(nc(N)nc3Oc4c(cc(cc4C)C)C)cc2	1438
+Cc1cc(cc(C)c1O)CN	107
+c1(C)cc(cc(C)c1Oc2nc(Cl)nc3c2n(cc3)C)C#N	1438
+c1cc(ccc1)Cn2c3c(nc(N)nc3Oc4c(C)cc(cc4C)C#N)cc2	1438
+Cc1cc(cc(C)c1Oc2c3c(nc(Cl)n2)cc[nH]3)C4CC4	1438
+c1c(C)c(c(cc1CC(O)=O)C)O	459
+CC1(C)C2Cc3c(c(sc3C(NCc4cc(C)c(c(c4)C)OCC(O)CO)=O)C)C12	72
+c1(cc(cc(C)c1OC)C=O)C	39
+Cc1cc(cc(C)c1OCC(=O)NN)-c2ncccc2	8817
+c1(C)cc(cc(C)c1OCC(O)=O)-c2nc(O)c3c(OC)cc(OC)cc3n2	748
+Cc1cc(cc(C)c1OCC(NN)=O)Br	561
+Cc1cc(cc(C)c1OCC(O)=O)C=O	4
+Cc1cc(cc(C)c1OCCO)Br	44
+c1(cc(cc(C)c1OCCCC)CC=O)C	1292
+c1c(C)c(c(cc1-c2ccc(cc2)C(O)=O)C)OCCO	11
+c1cc(ccc1Nc2nc(Oc3c(C)cc(cc3C)Br)c(c(C)n2)[N+](=O)[O-])C#N	55
+Cc1cc(cc(C)c1Oc2c3c(cc[nH]3)nc(Nc4ccc(cc4)C#N)n2)C5CC5	744
+Cc1cc(cc(C)c1Oc2ccc(OC)c(Oc3ccccc3)c2)[N+]([O-])=O	472
+c1c(C)c(c(cc1CO)C)Oc2nc(cc(NC(CC)CC)c2C)C	41
+c1(C)cc(cc(C)c1Oc2nnc(Cl)c(C(C)C)c2)CC(=O)O	4
+O=S(=O)(c1c(C)cc(cc1C)C)NC(C)Cc2c[nH]c3ccccc23	71
+c1cc(ccc1COC2CCCCO2)Cc3c(C)nc(nc3OS(=O)(=O)c4c(cc(cc4C)C)C)N	4603
+Cc1cc(cc(C)c1S(=O)(=O)N)Nc2nc(c(Br)cn2)NC(CO)C	55
+Cc1cc(cc(C)c1S(=O)(=O)N2C(COS(=O)(=O)C)CCCC2)OC	7
+Cc1cc(cc(C)c1[N+](=O)[O-])CO	49
+FC(F)(F)C(c1cc(C)c(c(c1)C)[N+](=O)[O-])O	714
+Cc1cc(cc(C)c1[N+](=O)[O-])C=O	39
+c1(C)cc(cc(C)n1)C=O	39
+Cc1cc(CO)cc(c1)C(=O)OC	59
+c1(Oc2cnc(cc2)[N+]([O-])=O)cc(C)cc(NC(c3cc(nn3C)C)=O)c1	706
+c1(ccc(cc1OCCc2cc(C)ccc2)C(=O)OC)Br	126
+n1cnc(Nc2cccc(C)c2)cc1Nc3cccc(c3)O	73
+c1c(cc(cc1)Oc2cc(C)ccc2)C=O	304
+Cc1cc(ccc1)OCC(C)N	733
+C(c1cc(C)c(-c2scc(C)n2)cc1)(=O)O	1
+FC(F)(F)S(=O)(=O)Oc1ccc(C(=O)C)c(c1)C	166
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(C)c(CC(=O)OC)cc3)C)c(C(C)C)n2	20
+C1CC(CCC1)N(C(=O)Nc2c(cc(cc2)C(=O)OC)C)c3c4ccccc4nn3-c5ccccc5	1587
+c1c(c(C)cc(c1)OC)-n2c(nc3ccccc23)-c4c(Cl)cccc4	8818
+c1cc(ccc1OC)Cn2cc(nn2)-c3ccnc(c3)Nc4nc(Br)cc(C)c4	834
+c1c2c(c(F)cc1)CC(C)N2	8819
+c1cc(ccc1Cl)Sc2c3c([nH]c2C)cccc3[N+](=O)[O-]	8820
+c1ccccc1COc2ccc(cc2)-n3c4ccc(F)cc4cc3C	2787
+FC(F)(F)c1oc(CN2c3c(cc(C)cc3)C4(C2=O)COc5cc6c(cc45)OCO6)cc1	8821
+FC(F)(F)C(=O)c1c[nH]c2c1ccc(C)c2	531
+c1(OCC2CO2)c3cc(C)[nH]c3ccc1	3507
+c1ccccc1Cn2c3c(c(ccc3)OC)cc2C	190
+c1(c(ccc(C)c1)-c2cnn(C)c2)C(=O)O	1
+Cc1ccc(c2c1nc[nH]2)C	631
+n1c(N)cc2CCCCn12	899
+c1cc(ccc1F)-n2nc(N)cc2I	899
+c1cc(ccc1)-n2c(cc(N)n2)I	899
+CONCc1ccc(C)c(c1)F	1059
+Cc1cc(Br)c(F)c(C(=O)O)c1	634
+Nc1ccc(C)cc1C#N	0
+Cc1ccc(c(C(=O)N)c1)[N+]([O-])=O	169
+C(c1cc(c(cc1)[N+]([O-])=O)F)(=O)O	820
+O=S(=O)(c1c(ccc(C)c1)[N+]([O-])=O)O	8822
+Cc1ccc(N)cc1-c2ccc(C(=O)CC)cc2C	0
+Cc1ccc([N+]([O-])=O)c(C#N)c1	274
+Nc1c(C(=O)N)cc(C)cc1	0
+Clc1cc(C)c(I)cc1C(=O)O	235
+C(c1ccc(c(Cl)c1)[N+]([O-])=O)(=O)O	820
+c1(c(ccc(c1I)C)C#N)F	1202
+c1(c(c2[nH]cnc2c(C)c1)C)[N+]([O-])=O	8823
+c1(c2[nH]c3CCN(Cc3c2ccc1)C)C=Cc4ccc(C)nc4	8824
+c12ccc(C)c([N+]([O-])=O)c1ccnc2Cl	174
+c1cc2c(ccc(C)c2[N+]([O-])=O)nc1Cl	1804
+Nc1c(C)ccc2nc(C)ccc12	0
+C(C)(c1c(c(C)ccc1)I)O	74
+O=C(N)c1cccc(C)c1Br	169
+c1c(CO)c(c(C)cc1)I	49
+c1c(C)c(c(cc1)C)-c2c(c(ccc2)CO)C	98
+c1c(C)c(c(cc1)C)-c2ccc(F)c(CO)n2	453
+Cc1cccc(C)c1-c2nc3c(c(OC)n2)CNCC3	25
+Cc1cccc(C)c1-c2nc3n(cc(CO)cc3)n2	88
+Cc1cccc(C)c1-c2nc3ccc(COC)cn3n2	382
+Cc1cccc(C)c1-c2nn3c(ccc(CCl)c3)n2	447
+c1cc(ccc1OCc2cn3c(cc2)nc(n3)-c4c(C)cccc4C)C(CC(=O)OCC)C#CC	751
+Cc1cccc(C)c1C(CO)CN	51
+Cc1cccc(C)c1COc2c(c(ccc2)CO)C	217
+Cc1cccc(C)c1COc2c(ccc(CC(=O)O)c2)C	3
+Cc1cccc(C)c1COc2c(C)c(ccc2)Cc3nnn[nH]3	420
+Cc1cccc(C)c1COc2cccc(CC#N)c2C	163
+c1(cccc(C)c1N2C(c3ccc(cc3)I)=NCC2)C	8825
+Cc1cccc(C)c1NS(=O)(=O)c2ccc(cc2)C	69
+c1cc(ccc1)C(=O)N(c2c(cccc2C)C)CC(C)Cl	8826
+c1(C)cccc(C)c1N(CC(C)OS(=O)(=O)C)S(=O)(=O)C	7
+C1CN(CCN1)CCC(=O)Nc2c(C)cccc2C	62
+Cc1cccc(C)c1N(CC(C)O)C(c2ccccc2)=O	448
+c1(cc(cc(C)c1NS(=O)(=O)c2ccc(cc2)C)[N+]([O-])=O)C	77
+Cc1ccccc1-c2c(C(=O)O)ccc([N+]([O-])=O)c2	1
+Cc1ccccc1-c2c(Cl)cccc2O	5
+Cc1ccccc1-c2c(O)c(CC=C)ccc2Cl	423
+O(C)c1cc(F)c(cc1I)-c2c(C)cccc2	184
+Cc1ccccc1-c2c(ccc(C=CC)c2O)Cl	4606
+Cc1ccccc1-c2c(ccc(N)c2)C(=O)NC(CCSC)C(=O)OC	0
+Cc1ccccc1-c2c(ccc3c2OC(CN)C3)F	18
+c1cc(ccc1S(=O)(=O)OCC2Oc3c(-c4c(cccc4)C)c(F)ccc3C2)C	36
+ClC(Cl)(Cl)C(c1ccc2n1Cc3c(cccc3)N(C(=O)c4cccc(-c5c(cccc5)C)c4)C2)=O	1053
+c1ccccc1COc2ccc(cc2CC=C)-c3ccccc3C	22
+Cc1ccccc1-c2ccnc(c2)C(NO)=N	958
+Cc1ccccc1-c2cc(C=3NOC(=O)N=3)ncc2	1988
+Cc1ccccc1-c2nc(C)sc2C(O)=O	6
+Cc1ccccc1-c2nc(C)sc2NC(c3c4nc(N)ccn4nc3)=O	8827
+c1cc(ccc1Br)Cc2cc(C)c(s2)C	8828
+Cc1n[nH]c2-c3c(ccc(Cl)c3)N(CC(CNC)O)C(c12)=O	747
+Cc1n(C2CCCCO2)nc-3c1C(=O)N(CC(CNC)O)c4ccc(Cl)cc-34	122
+Cc1n(C2CCCCO2)nc-3c1C(N(c4ccc(C#CC=O)cc-34)CC)=O	2628
+Cc1n(C2CCCCO2)nc-3c1C(N(c4ccc(-c5ccc(C=O)s5)cc-34)CC)=O	1373
+Cc1n(c(C)nc1I)-c2ccnc(O)c2	8829
+Cc1n(c(nc1C#Cc2cccc(Cl)c2)C)-c3ccnc(O)c3	4607
+Cc1n(c(nc1C#Cc2cccc(C)c2)C)-c3ccnc(O)c3	4607
+Cc1n(c2c(ccc(c2)O)c1C(NC)=O)CC	5
+Cc1n(C2CCCCO2)nc-3c1C(=O)N(c4ccc(Cl)cc-34)CC5CO5	8830
+Cc1n(nc2c1c(O)nc3ccc(Cl)cc23)C4CCCCO4	2614
+c1cc(ccc1F)COC2=CC(N(c3ccc4c(c(C)n(C)n4)c3)C=C2)=O	8831
+c1cc(ccc1)COC2=CC(N(c3ccc4c(c(C)n(C)n4)c3)C=C2)=O	1614
+Cc1n2c(nc1CO)ccc(Cl)n2	2068
+Cc1c(C=O)nc2n1nc(cc2)Cl	614
+c12c(cc(NC(=O)c3[nH]nc(C)c3C)cn1)cc(I)[nH]2	510
+Cc1c(OC)ccc(-n2c(c(C)c(C)n2)C)c1	1158
+Cc1n(nc2c1c(O)nc3ccc(Cl)cc23)C4OC=CCC4	8832
+Cc1n(nc2c1c(O)nc3ccc(I)cc23)C4CCCCO4	8833
+Cc1c2ccc(cc2n(-c3ccnc(N)n3)n1)Br	2973
+O=S(=O)(C)c1cc2c(C)cn(NC(c3cnc(nc3C)-c4cccc(F)c4)=O)c2cc1	4608
+Cc1nc(-c2cc(F)ccc2)ncc1C(Nn3c4c(cc([N+]([O-])=O)cc4)cc3)=O	4608
+Cc1nc(-c2cc(F)ccc2)ncc1C(=O)O	6
+c1cc(ccc1)C(=O)Nc2ccc3c(c2)ccn3NC(=O)c4c(nc(-c5cccc(F)c5)nc4)C	50
+Cc1nc(-c2cc(F)ccc2)ncc1C(Nn3c4c(cc(N)cc4)cc3)=O	0
+Cc1nc(-c2ccc(C)cc2F)sc1CO	1503
+Cc1nc(-c2ccc(C)cc2F)sc1CCl	8834
+Cc1nc(-n2nnnc2)ccc1C(C)C(=O)O	3
+Cc1nc(nc(c1C)Cl)CCCC	64
+Cc1nc(nc(Cl)c1CC)CCCC	64
+c1cc(ccc1S(=O)(=O)N(C)Cc2c(Cl)c(C(=O)N3CC(C(NCc4onc(C)n4)=O)Oc5ccccc35)sc2)Cl	4609
+Cc1nc(Cl)c(c(NC(C)CO)c1C)[N+]([O-])=O	105
+Cc1nc(Cl)c(c(NCCOCCCc2nccs2)c1C)[N+]([O-])=O	105
+c1ccccc1CN2CCC(CC2)CCNc3c(c(C)nc(c3[N+]([O-])=O)Cl)C	105
+c1cc(ccc1)Oc2c(c(c(c(n2)C)C)NCCCCCO)[N+]([O-])=O	136
+n12nnnc1c(c(NCCCO)c(c2C)C)[N+]([O-])=O	8835
+c1cc(ccc1)Oc2c([N+]([O-])=O)c(NCCOCCCc3cnccc3)c(C)c(n2)C	136
+c1cc(ccc1)Oc2c([N+]([O-])=O)c(NCCOCCCc3sccn3)c(C)c(n2)C	136
+Cc1nc(Cl)c(c(c1Cl)C)C(NO)=N	4610
+Cc1nc(Cl)c(-c2noc(-c3cc(OC)c(O)c([N+]([O-])=O)c3)n2)c(c1Cl)C	8836
+Cc1nc(c(cc1C(=O)OCC)C#N)NC2CCC(C(=O)O)C2	70
+C1CC(CCN1c2c(C#N)cc(C(=O)OCC)c(n2)C)S(=O)(=O)NS(=O)(=O)Cc3ccccc3	43
+c1cc(ccc1)Cc2[nH]c(nn2)C3CCN(CC3)c4c(C#N)cc(C(=O)OCC)c(C)n4	43
+FC(F)(F)c1ccc(cc1)CNc2nc(C)c(c(N)n2)[N+]([O-])=O	96
+c1(nc(N)nc(C)n1)-c2cccnc2F	2234
+n1cc(OC)cc(-c2nc(N)nc(C)n2)c1F	2234
+n1cc(cc(-c2nc(N)nc(C)n2)c1F)OCCOC	2234
+Cc1nc(N)nc(NCCCCC)c1CCCNCc2cc(ccc2)OCC(OC)=O	42
+C(Nc1c(c(nc(N)n1)C)CCCNCc2cc(CC(OC)=O)ccc2)CCCC	42
+c1cc(ccc1CC(=O)O)CC(=O)NCCCc2c(nc(N)nc2C)NCCCCC	9
+O=S(=O)(c1cc(c(F)cc1)F)Nc2ccc(N3CCC(C3)N4CCCC4C)nc2C	322
+Cc1nc(N2CCC(N3C(C)CCC3)C2)ccc1N	13
+Cc1nc(c(C(=O)N)cc1-c2csc(n2)C)O	1869
+Cc1nc(O)c(C#N)cc1-c2csc(n2)C	8837
+C1C(CC1O)COc2ccc(c(C)n2)Br	8838
+O(c1c(cc(CC)c(C)n1)C=O)C	200
+Cc1nc(OC)ccc1N=C=S	4611
+Cc1nc(OC)ccc1Nc2nc3c(Cl)ccc(C(=O)OC)c3n2CCCO	8839
+c1(C)nc(OC)ccc1N2CCCn3c4c(c(Cl)ccc4C(=O)OC)nc23	2394
+Cc1nc(OC)ccc1N	13
+Cc1nc(OC)c(CO)cc1CC	295
+c1cc(ccc1)CS(=O)(=O)NC(C2CC(CC2)Nc3c(cc(C(=O)OCC)c(n3)C)C#N)=O	344
+c1cc2c(cc1)c(c(nc2Cl)C)[N+]([O-])=O	137
+Cc1nc(c2ccc(OC)cc2c1Br)Cl	137
+c1cnc(Cl)cc1-n2cc(nc2C)C#Cc3cccc(C)c3	8840
+Cc1nc(cc2c3ccc(O)cc3[nH]c12)O	5
+Cc1nc(Oc2cccc(c2)CC(OC)=O)ccc1C=O	136
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)Nc2ccc(c(C)n2)COCC)Cl	2165
+Nc1c(cc(Cl)c(C)n1)[N+](=O)[O-]	475
+c1c(C)c(c(cc1)C)-c2ccc(F)c(n2)C	119
+c1(cccc(F)c1-c2ccc([N+](=O)[O-])c(C)n2)F	119
+Cc1nc(ccc1[N+]([O-])=O)CO	453
+O=S(=O)(OCc1nc(C)c(cc1)[N+]([O-])=O)C	7
+C1CN(CCC12CCCN(Cc3c(cccc3)-n4nccn4)C2=O)c5nc(C)cc(C)n5	117
+Cc1nc(nc(C)c1C)Cl	740
+Cc1nc(nc(C)c1OCc2ccccc2)-n3c(ccc3C)C	3916
+c1(ccc(C)n1-c2nc(C)c(c(n2)CCCCCCCCCCOCc3ccccc3)OCc4ccccc4)C	3008
+Cc1nc(nc(N)c1CC)CCCC	266
+Cc1c(c(nc(n1)NCc2ncccc2)Cl)C	8841
+Cc1nc(nc(N)c1C)CCCC	266
+Cc1c(sc(-c2ccc(Cl)cc2OC)n1)C(=O)O	6
+O(C)c1c2c(c(Cl)cc1C(=O)O)[nH]c(C)n2	1
+O=S(=O)(Nc1c2c(c(Br)sc2nc(C)c1C(=O)OCC)C)c3cccc(Cl)c3	69
+Cc1c(C(=O)O)c(c2c(c(Br)sc2n1)-c3cc(ccc3)OC)N	6
+Cc1c(C(=O)O)c(N)c2c(c(sc2n1)C)Br	6
+Cc1nc2c(c(Br)cc(N)c2)[nH]1	0
+c1(c2c(cccc2)ccc1)Cn3c4cc(cc(c4nc3C)[N+]([O-])=O)Br	505
+c1c(cn2c(nc(C)c2C(=O)OCC)c1OCc3c(F)c(ccc3F)F)C	2953
+c1(c2nc(C)c(n2cc(C)c1)C(=O)OCC)OCc3c(c(ccc3F)OC)F	2953
+c12cccnc1NC(C23Cc4c(C3)cc5nc(C=O)ccc5c4)=O	501
+c1c(F)c(F)cc2c1nc(C=Cc3cccc(c3)C=O)cc2	3990
+Cc1nc2ccc(N)c(c2[nH]1)C	0
+FC(F)(F)c1c(cccc1)-c2c(nc3c(c(Cl)ccc3)n2)C	2235
+c1cc(cc(c1)-c2c(C)nc3c(c(Cl)ccc3)n2)F	2235
+Cc1c(nc2c(cccc2Br)n1)F	8842
+Cc1nc2n(nc(-c3cc(Cl)ccc3)c2)c(Cl)c1C(O)C(OC)=O	4612
+c1cc(ccc1CNc2nccn3c2nc(C)c3Br)S(=O)(=O)N	3926
+Cc1nc2nc(SC)ncc2cc1-c3cc(c(cc3Br)F)NC(=O)OC(C)=C	2922
+c1(C)cc(C)c[n+](c1C)[O-]	341
+C(c1cc(C)c(C)nc1)c2c(nc(NCCCCc3c(cc(cn3)Br)C)nc2)O	1898
+Cc1c2c(-c3ccc(Cl)cc3OC2)ccn1	57
+c1(c([n+](ccc1C)[O-])C)CCl	103
+Cc1nccc(C)c1CCl	447
+c1cc(ccc1OC)-n2nc(c3c(cc(nc23)C)C(Nc4c(C)nccc4C)=O)C	487
+c1cc2[nH]c3c(ccnc3C)c2cc1-c4cccc(C#N)c4	11
+O=S(=O)(c1nc(-c2c(-c3ccc(F)cc3F)nc4n2ccnc4C)ccn1)C	528
+Cc1nccn2c(ccc12)C#N	8843
+Cc1nccn2c(ccc12)C(=O)N	2835
+Cc1nccn2c(-c3nc(SC)ncc3)c(nc12)-c4ccc(cc4F)F	4613
+Cc1c(cn(-c2cccnc2)n1)C(=O)O	6
+Cc1nn(C(C)c2cc(Cl)c(c(c2OC)-c3cc(ncc3)C(=O)O)C)c4c1c(ncn4)N	876
+Cc1nn(C(C)c2cc(Cl)c(c(c2OC)-c3cnc(cc3)C(=O)O)C)c4c1c(ncn4)N	876
+FC(F)(F)c1ccc(cc1)-c2c(C)nn(c2-c3ccc4c(c3)NC(CO4)=O)C	800
+FC(F)(F)c1cc(-c2c(-c3cc4NC(COc4cc3)=O)n(nc2C)C)ccc1	800
+Cc1nn(C)cc1N2C(Nc3cnc4ccc(cc4c23)Br)=O	8844
+Cc1nn(cc1Nc2c(N)cnc3ccc(cc23)Br)C	13
+c1(cc2n(c(OCc3c(F)c(ccc3F)F)c1)nc(C)c2C(=O)OCC)C	3484
+Cc1nnc(c2ccc(O)cc12)Cl	5
+Cc1nnc(c2ccc(OC)cc12)Cl	218
+c1cc(ccc1C(c2ccc(cc2)F)(Cc3nnnn3C)O)F	8845
+Cc1nnsc1C(=O)c2[nH]c3ccc(Cl)cc3c2CC(=O)O	4
+c1ccccc1Cn2c3ccc(cc3c4c(cc(cc24)-c5c(C)onc5C)C(=O)OC)OC	8846
+Cc1noc(C)c1-c2cc3[nH]cnc3c(I)c2	631
+Cc1noc(C)c1-c2cc(N)c(N)c(I)c2	0
+Cc1noc(C)c1-c2cc(-c3c4cccnc4ccc3C)c5c([nH]cn5)c2	8847
+Cc1noc(C)c1-c2ccc3C(C=C(N(c4ccc(cc4F)F)c3c2)C=O)=O	8848
+Cc1noc(C)c1-c2ccc3C(C=C(CO)N(c4ccc(cc4F)F)c3c2)=O	8849
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccc(-c4cc(c(C)o4)C(OC)=O)cn3)=O)c2	330
+Cc1oc2cc(ccc2c1C(NC)=O)Nc3nc(Cl)ncc3	73
+n1ccc(Oc2cc3oc(C)c(C(NC)=O)c3cc2)nc1Nc4cccc(OC)c4	55
+Cc1oc2cc(Oc3ccnc(n3)Cl)ccc2c1C(NC)=O	185
+Cc1c(COc2nnc(cc2)Cl)c(no1)-c3cc(F)ccc3	485
+Cc1onc(-c2ccc(cn2)F)c1CO	903
+Cc1c(COc2cnc(cc2)C(=O)OC)c(no1)-c3ccc(cn3)F	981
+Cc1onc(-c2ncccc2)c1CO	903
+Cc1c(COc2cnc(cc2)C(=O)OC)c(no1)-c3ncccc3	981
+Cc1onc(-c2cc(F)ccc2)c1CO	903
+Cc1onc(c1CNc2ccc(C(=O)O)cn2)CCCC	1
+C(Cl)(=O)N1C(C)CCCC1	8850
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(C)c2F)c1	594
+FC(F)(F)CNc1ncc(Cl)cc1C(=O)OCC	4614
+FC(F)(F)c1cccc(c1)-c2c(C)c(Br)cnc2Cl	1655
+FC(F)(c1ccc(F)c2ccccc12)C(=O)Nc3ccc(Cl)c(CCO)c3F	594
+N#Cc1cc(cnc1Cl)C#N	1655
+C1(C(Nc2c(c(Cl)c(cc2N1)Cl)C#N)=O)=O	594
+Clc1c(c2c(cc1)nc(C)cc2)Cl	8851
+O=S(=O)(Cl)c1cc(C)c(cc1)Cl	929
+O=S(=O)(Cl)c1ccc2nc(ccc2c1)O	929
+Clc1cc(Br)c2c(cccn2)c1	594
+c1(cc(cc(OC)c1Cl)Br)OC	594
+O=S(=O)(c1cc(ccc1)Oc2ccccc2C(C(OC)=O)=COC)Cl	929
+Clc1c(Cl)nc(c(Cl)n1)C(OC)=O	8852
+O=S(=O)(Cl)c1ccccc1OS(=O)(=O)C	929
+O=S1(=O)N=CN(C2CCC2)c3ccc(Cl)cc13	594
+O=S(=O)(Cl)c1cc(C#N)cc(c1)[N+](=O)[O-]	929
+O=S(=O)(c1cc(ccc1)-c2cc(nc(OC)n2)NCCc3ccc(cc3)OC)Cl	929
+c1ccccc1Cc2ccc(cc2)S(=O)(=O)Cl	929
+c1ccccc1CSc2c(c(S(=O)(=O)Cl)cc(C(=S)O)c2)-c3ccccc3	929
+O=S(=O)(c1cnc(cc1)OC)Cl	4553
+Cc1c(nc(-c2cc(ccc2)C#N)o1)CCl	8853
+c1ccccc1-c2nn(c3nnc(-c4ccccc4)c(c23)Cl)CC(O)=O	8854
+c12c(cc(C)c(Cl)c1)OC(C3=C2CCNC3)=O	594
+c1(c(C)c([n+](cc1C)[O-])C)Cl	8855
+c1(C)cc(Br)c(Cl)cc1F	594
+Clc1c(O)ncc(c1)[N+](=O)[O-]	4614
+c1(ccnc(CCl)c1)C(=O)OC	8856
+c1c2c(ccc1OC)c([n+](cc2)[O-])Cl	8857
+c1(cc(cc(C)c1C(C)=O)Cl)C	594
+c1(c(Cl)ccnc1O)-c2nc3c(c(C)cc(c3)Br)[nH]2	8858
+c1cc(ccc1)C(n2c3ccccc3cc2)CCCl	1518
+c1cc(ccc1-c2scc(n2)CSc3c(C#N)c(N4CCCCC4)c(C#N)c(n3)Cl)Cl	1655
+c1cc(ccc1-c2scc(n2)CSc3nc(c(C#N)c(c3C#N)-c4ccccc4)Cl)Cl	1655
+C1CN(CCN1C(=O)OCC)CC(c2ccc(cc2)F)Cl	4562
+c1cc(ccc1F)C(Cl)c2ccc(cc2Cl)Cl	8859
+c1ccccc1-c2cc(C(=O)OCC)c(Cl)[nH]2	8860
+c1cc(ccc1)C(CCCl)O	1518
+c1ccccc1CN2CCc3c(ncnc3C2)Cl	4346
+c1(Cl)sc2c(cnnc2O)n1	8861
+n1c(c2c(C3C(C2)C3)n1-c4nccc(Cl)c4)C(OCC)=O	8862
+c1nc(ncc1C#N)Cl	8863
+c1(cccc(c1)N2c3ccc4c(cccc4)c3NC(CC2=O)=O)C#N	8864
+c1c(c(cc(c1)NC(CC(OC)=O)=O)F)OCc2cccc(F)c2	3486
+O=C(O)CNC(COc1nc(c(Cl)cc1Cl)F)=O	726
+ClC(Cl)(Cl)C(=N)OCc1c(Cl)cc(c(F)c1)Br	1664
+c1ccccc1COC(NC(C(=O)OC)COCC=C)=O	8865
+ClC(Cl)(Cl)C(N1CCN(CC1)c2cc(ccc2OC)S(=O)(=O)Nc3c(c(cc(c3)Cl)Cl)OC)=O	69
+c1cc(ccc1OC)C(c2cc3c(nc(nc3cc2)O)-c4cccc(Cl)c4)=O	3009
+C(C)OC(=O)c1cc(n2CCOCc12)C(=O)O	8866
+FC(F)Cn1c(c([N+]([O-])=O)cn1)Cl	2706
+c1cc(ccc1F)-c2cnc(Cl)o2	2138
+c1(Cl)n(C)ncc1[N+](=O)[O-]	2706
+c1(-c2cc(F)c(cc2)C#N)cnc(Cl)o1	2138
+ClC(Cl)(Cl)C(Nc1c(cc(cc1)Br)C(c2cc(ccc2)Cl)=O)=O	26
+ClC(Cl)(Cl)C(Nc1ccc(cc1C(c2cc(Cl)ccc2)=O)C(c3cnc(cc3)Cl)(O)c4n(cnc4)C)=O	26
+ClC(Cl)(Cl)C(Nc1cccc(OC)c1C=O)=O	26
+ClC(Cl)(Cl)C(=O)c1cc(C(C)=O)[nH]c1	432
+ClC(Cl)(Cl)C(c1ccc2CN(C(c3ccc(cc3)C4CCCCC4)=O)c5ccccc5Cn12)=O	1053
+ClC(Cl)(Cl)C(=O)Nc1ccc(C(c2ccc(cc2)OC)=O)cc1C(=O)c3cccc(Cl)c3	26
+ClC(Cl)(Cl)C(c1[nH]ccc1)=O	1053
+ClC(Cl)(Cl)c1onc(Cc2ccccc2)n1	2750
+c1cc(ccc1)COCC2CC(=O)C2(Cl)Cl	2747
+ClC(Cl)(Cl)C(c1n(ccc1)-c2cc(ccc2)C(OC)=O)=O	1053
+C1CNCCN1c2c(OC)ccc(S(=O)(=O)Nc3c(c(cc(c3)Cl)Cl)OC)c2	8867
+ClC(Cl)(Cl)C(NC(Nc1c(ccs1)C(OC)=O)=O)=O	8868
+c1cc(ccc1COC(N2C(C(=O)N3CCN(CC3)CCOC(=O)N)CC(C2)SCc4ccc(cc4)OC)=O)[N+](=O)[O-]	4615
+c1cccc2N3C(c4c(cccc4)Cc12)CN(CCCOC(=O)N)CC3	4615
+c1ccccc1COc2ccc3[n+]([O-])c(N)c4c(n(C)c(n4)CC)c3c2	2885
+C(N)(=O)Nc1sc(Br)cc1C(=O)OC	8869
+Clc1cccc(c1)-c2c3c(ccc(c3)Br)nc(n2)O	3009
+Clc1cccc(-c2nc(nc3c2cc(C(c4n(cnc4)C)(c5cnc(Cl)cc5)O)cc3)O)c1	3009
+N(C(=O)C=NO)c1ccc2CCCc2c1	1048
+c1c(Cl)c(ccc1NC(C=NO)=O)C(=O)O	1048
+N(C(C=NO)=O)c1cccc(Cl)c1C	1048
+c1(cc(NC(C=NO)=O)ccc1)Br	1048
+c1c(cc(c(NC(C=NO)=O)c1)CC)Br	1048
+c1cc(ccc1F)NC(C=NO)=O	1048
+c1cc(ccc1Br)COCC(C(=O)OC)C	1476
+ClC(Cl)(Cl)C(c1cc(c[nH]1)I)=O	4616
+Cc1ccccc1-c2cc(ccc2)C(=O)N3Cc4ccc(C(NCc5cnccc5)=O)n4Cc6c3cccc6	4617
+c1cc(ccc1)COC(=O)c2n(-c3cc(C(OC)=O)ccc3)ccc2	4544
+ClC(Cl)(Cl)COC(=O)Nc1cnn(-c2ccc(cc2)C)c1	8870
+ClC(Cl)(Cl)COC(=O)Nc1ccc(cc1)C(N(C)C)=O	90
+CN(C)C(=O)c1ccc(cc1)NC(=O)Nc2ccc(Br)c(F)c2	8871
+C1CN(CCN1c2ncnc(-c3ccc(cc3)F)c2)C(Nc4cnccc4)=O	2076
+C1CNCCC1=C2c3c(CCc4cc(ccc24)C#N)cccn3	4618
+O(CCCl)Cn1c2ncccc2nc1	1883
+c1c(c(c(cc1)OC)F)CCl	1331
+c1cc(ccc1)COc2c3ccccc3cc(c2)CCl	1331
+c1cc(ccc1Cl)C(=CC2C(C)(C)C2C(=O)Cl)Br	8872
+c1cc(ccc1)-c2ccc(C)c(CCl)c2	1331
+C(=O)=Nc1c2OCCCc2c(Cl)cc1F	1044
+N1C(=O)OC(c2cccc(F)c12)=O	2081
+c1([N+]([O-])=O)ccc(N=C=O)c(C)c1	1044
+c1cc(ccc1)CN2CCN(CC2)c3ccc4c(C(OC(=O)N4)=O)c3	2081
+c1cc(ccc1F)COc2cc(c(N=C=O)cc2)F	1044
+c1cccc(c1OCC(OCC)=O)Oc2c(Cl)cc(F)c(N=C=O)c2	1044
+ClCCN(CCCl)c1ccc(cc1)N=C=O	861
+c1cc(c(cc1C2CN(C(=O)Cl)CC2C(C)Oc3ncc(cc3)Cl)Cl)Cl	8873
+FC(F)(F)C=1N(C(N(c2c(N=C=O)c(c(Cl)cc2F)C)C(C=1)=O)=O)C	861
+FC(F)(F)Oc1c(F)cc(cc1)C(NC(=O)c2nc3NC(Oc3cc2)=O)c4ncccc4F	8874
+FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(C)c(N3C(c4c(nc(SC)nc4)NC3=O)=O)c2	8875
+FC(F)(F)c1ccc(-c2c3c(ncn2)N(c4ccc(cc4)OC)C(N3)=O)c(F)c1	4619
+FC(F)(F)c1cc2NC(N(c3cc(CC)c(cc3OC)OC)c2cc1)=O	8876
+FC(F)(F)c1nc(NC(Nc2c3cc(ccc3ncc2)Br)=O)ccc1	8877
+c1cc(ccc1C(OC)=O)CNC(N2C(C)CN(c3ccc(c(Cl)c3)C#N)C(C)C2)=O	8878
+C1CN(CCO1)c2c3ccn(CCN(C)C)c3nc(n2)-c4ccc(cc4)NC(=O)NC	675
+N1c2c(C(=O)O)c(F)ccc2OC1=O	8879
+N1c2cc(ccc2C(N(C1=O)c3c(c(Br)ccc3)C)=O)F	1061
+N1c2cc(OC)ccc2C(N(C1=O)c3c(c(Br)ccc3)C)=O	1061
+c1(ccc(cc1Cl)C(=O)OC)N=C=O	861
+c1cc(OC)cc2c1NC(=O)OC2=O	1754
+c1(c(Br)cccc1N=C=O)C	861
+N1C(=O)N(Cc2c1cccc2Br)C	8880
+c1(ncccc1)C2(N3C(Nc4cccc(OC2)c34)=O)C(=O)N	8881
+COc1c(c(c(c2C(=O)OC(Nc12)=O)C)I)F	1754
+O=S(=O)(C)c1ccc2C(OC(=O)Nc2c1)=O	8882
+c1c(c(F)c(F)c(N=C=O)c1I)C	861
+c1(F)cc(cc(F)c1F)NC(Nc2cccc(Nc3ccc4CC(Nc4c3)=O)c2)=O	8883
+c12c(cccc1Br)C(=O)N(CC)C(=O)N2	8884
+Fc1ccc(NC(Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(OC)c4)OC)=O)c(C)c1	1680
+O=C1Nc2c(c(OC)cc(OC)c2)C(=O)O1	1754
+O=C1c2c(c(ccc2)Cl)NC(N1c3c(C)c(ccc3)Br)=O	1061
+c1c(F)c2c(cc1F)C(N(C(=O)N2)c3c(c(Br)ccc3)C)=O	1061
+O=C1N(C(Nc2c(cccc12)C)=O)c3c(C)c(ccc3)Br	1061
+c1c(cc(c(c1)N=C=O)Cl)Br	861
+c1cc2c(cc1I)C(=O)OC(N2)=O	1754
+c1c2c(nc(Cl)c1)N(c3cc(c(OC)cc3Cl)OCc4c(F)c(ccc4OC)F)C(=O)N2	8885
+c1c(I)cc2N(C(=O)OC(=O)c2c1)CC	8886
+c1ccccc1-c2c(N=C=O)cc(Br)cc2	861
+c1cc(ccc1)C#Cc2ncc(N3C(=O)OC(C)(C)CC3)nc2	8887
+c1ccccc1CN(Cc2ccccc2)c3c4c(ncn3)N(C(=O)N4)c5cccc(NC(OC(C)(C)C)=O)c5	4619
+c1cc(ccc1C2=C(C=3N(C(NN=3)=O)C=C2)Cl)C	8888
+c1cc(ccc1F)NC(Nc2ccc(cc2)-c3nc(c4c(n(CC)nn4)n3)N5CCOCC5C)=O	1680
+C1CN(CCO1)c2nc(nc3n(CC(OC)OC)ccc23)-c4ccc(cc4)NC(=O)Nc5ccncc5	1680
+c1cc(ccc1CC(OCC)=O)N2C(c3c(cccc3)NC2=O)=O	1061
+c1cc(ccc1Oc2cc3c(COC3)cc2)N4C(=O)NC(C)C4=O	8889
+O=C1c2c(cccc2)NC(N1c3c(C)c(ccc3)Br)=O	1061
+c1ccccc1CCCOC(Cl)=O	8890
+c1cc(ccc1)CON2C3CN(C(C(OCC)=O)CC3)C2=O	8891
+c1ccccc1CSc2nc(Cl)c3NC(=O)Nc3n2	8892
+n1cc(cnc1Oc2ccc(c3c2C4(CC4)CO3)C)N5C(C(NC5=O)CC)=O	4620
+CC1(C)COc2cccc(Oc3ncc(cn3)N4C(C(C)(C)NC4=O)=O)c12	4620
+ClC(Cl)(Sc1cn(CCl)c2c1cccc2)F	8893
+FC(F)(F)CCC(C#N)(C#N)Cn1c2ccccc2c(SC(Cl)(Cl)F)c1	8894
+ClC(Cl)=C(Cl)c1cc(CN=[N+]=[N-])cc(C)c1	545
+ClC(Cl)=C(c1cc(c(cc1)CN)O)Cl	2886
+ClC(Cl)=C(Cl)c1cc(O)ccc1	5
+ClC(Cl)=CC1C(C)(C)C1C(=O)OCc2cccc(-c3oc(cc3)Br)c2	1699
+ClC(Cl)=CCOc1cc(c(OCOC)c(c1)Cl)C	4622
+FC(F)(F)c1ccc(OCCCOc2c(cc(cc2I)OCC=C(Cl)Cl)Cl)nc1	4622
+Clc1cc(cc(Cl)c1OCCCCOCC=NOCC=C(Cl)Cl)OCC=C(Cl)Cl	410
+ClC(Cl)=CCOc1cc(CC)c(c(c1)CC)OCCCCOCC=NOCc2ccccc2	2236
+ClC(Cl)=CCOc1cc(CC)c(c(c1)CC)OCCCCOCC=NO	410
+FC(F)(F)c1cnc(cc1)OCCCON=C(C)COc2c(cc(cc2Cl)OCC=C(Cl)Cl)Cl	350
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)C#N)OCC=C(Cl)Cl)Cl	262
+Clc1cc(c2NC(=O)OC(=O)c2c1)Br	8895
+Clc1ccc(c([N+]([O-])=O)c1)CCOC(=O)Cl	2701
+Clc1ccc(CCN2C(Nc3c(ccc([N+]([O-])=O)c3)C2=O)=O)c(Cl)c1	8896
+Clc1ccc(c(Cl)c1)OC(c2sc(nn2)N=C=O)C	775
+FC(F)(C)CC(N=C=O)C(=O)OC	8897
+FC(F)(F)c1ccc(-c2c(ccc(c2)CC(OCC)=O)OC)c(CN(CC)C(NCc3ccc(cc3)Cl)=O)c1	8898
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)N=C=O	930
+c1ccc(F)c2c1C(CCO2)N3C(=O)Nc4c(nc(N)nc34)Cl	3716
+c1(N=C=O)cccc2cnc(cc12)C	930
+c1cncc2cccc(c12)N=C=O	930
+O=C=Nc1nnc(C)s1	775
+O=C=Nc1nnc(s1)SC	775
+C=CCc1nnc(N=C=O)s1	775
+ClCc1nnc(N=C=O)s1	775
+c1ccccc1S(=O)(=O)c2cc3OCCN(C(=O)Cl)c3cc2	8899
+S(C)c1cc(c(cc1Cl)Br)N=C=O	930
+c1c(-c2cnc(-c3ncc[nH]3)cc2)ccc4OCCN(Cc14)C(=O)Cl	2703
+c1(N=C=O)sc(C(C)Oc2cc(c(Cl)cc2)Cl)nn1	775
+c1c(Cl)c(c(cc1N=C=O)Cl)Oc2c(cc(OC(F)F)cn2)Cl	930
+c1c(c(cc(c1)-c2nsc3ccc(N=C=O)cc23)C)OC	930
+c1(cc(cc(Cl)c1)OC2CCN(C(=O)Cl)C2)Cl	8900
+c1cc(ccc1COC(Cl)=O)F	2701
+c1cc(ccc1N=C=O)Oc2cc(Cl)ncn2	930
+c1cc(ccc1N=C=O)OCCOCCOCCOC	930
+c1cc(ccc1Cl)SC2CN(C2)C(=O)Cl	8901
+c1ccccc1CCCc2cc(ccc2)N=C=O	930
+c1cc(ccc1)N2C(N(CC2)C3CCN(CC3)Cc4ccccc4)=O	8902
+c1ccccc1CON2c3cc(ccc3N=C(Cl)C2=O)-n4cncc4	8903
+c1ccccc1COc2ccccc2CN=C=O	8904
+c1cc(ccc1)CSc2nc3NC(=O)N(c4c(cccc4)Cl)Cc3cn2	8905
+c1cc(ccc1)N(c2cc(C)cc(C)c2)C(=O)Cl	8906
+c1(cc(cc(Cl)c1C#N)N=C=S)Cl	333
+FC(F)(F)COc1ccc(cc1)N=C=S	333
+FC(F)(F)c1c(c(Cl)cc(N=C=S)c1)-c2ccc(cc2)S(=O)(=O)N3CCOCC3	333
+FC(F)(F)c1c(ccc(N=C=S)c1)C#N	333
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)N=C=S)Cl	333
+FC(F)(F)c1cc(ccc1)N=C=S	333
+S=C1N(CCCN1c2c(Cl)cccc2C)CC	8907
+N(=C=S)c1c(Cl)cccc1C	333
+Clc1ccc(N=C=S)cc1-c2c(cncc2)F	333
+OB(O)c1cc(cc(C(O)=O)c1)N=C=S	333
+c1(C)cc(OC)ncc1N=C=S	4611
+CCC(N=C=S)(CCO)c1c(F)ccc([N+]([O-])=O)c1	8908
+N(=C=S)c1c(c(ccc1Cl)OC)Cl	333
+c1cc(OC)c(N=C=S)cc1Br	333
+c1cc(ccc1OCCn2cncc2)N=C=S	333
+c1cc(ccc1N=C=S)S(=O)(=O)N	333
+c1cc(ccc1)-c2c(N=C=S)ccc(C)c2	333
+CC1(C)C(C(C(Cl)Cl)O)C1C(OCC)=O	100
+c1ccccc1C2(C)c3cc(C4CCCCC4)ccc3OC(O2)C(O)=O	8909
+ClC(Cl)C(CC(c1cc(F)c(cc1)OC)=O)=O	8910
+c1cc(ccc1-n2c(-c3ccc(c(F)c3)OC)cc(C(Cl)Cl)n2)S(=O)(=O)N	4623
+Clc1c(Cl)cc(c([N+](=O)[O-])c1)NCCCCl	1307
+N=1c2ccccc2C(N(CCCl)C=1CC)=O	1307
+O=Cc1c(O)c(Cl)ccc1	3010
+c1ccccc1Cc2cc(C=O)c(O)cc2	3010
+c1ccccc1Oc2cc(C=O)c(cc2)O	3010
+O(C)c1cc(cc(OC)c1OC)-c2nccc(c2)CCl	2164
+c1(nc(Cl)ccc1)CCl	8911
+ClC1(Cl)CC1(C)CCOc2ccc([N+](=O)[O-])cc2Cl	8912
+c1cc(ccc1)-c2c(C)nn(-c3ccc(cc3)CCCl)c2C	1307
+c1cc(ccc1CCl)-c2nc(COC(c3ccccc3)=O)sc2	2164
+c1cc(ccc1)COC(N2CCOC(CCCl)C2)=O	1307
+c1cc(ccc1N2C(=O)CCc3ccccc23)C(=O)Cl	8913
+O=Cc1cc(c(OC)c(Cl)c1Cl)OC	4624
+c12c(CCC1Cc3nc[nH]c3)cc(c(c2)C=O)OC	4624
+c1(cc(F)c2c(c1OC)cccc2)C=O	582
+c1(OC)cc(c(C=O)c(Oc2c(cc(c(C)c2OC)OC)C(OC)=O)c1)C	582
+O=Cc1c(OC)cc(C)c(F)c1	582
+c1c(c(c(F)c(c1)C=O)Br)OC	582
+c1c(cc2ccc(OC)c(C=O)c2c1)Br	582
+c1(cc(O)c2ccccc2c1C=O)C	582
+c1cc(ccc1)-c2cc3ncnc(Nc4ccc5[nH]cc(C=O)c5c4)c3s2	4625
+c1cc(ccc1-n2c(cc(C=O)c2)C#N)C(=O)OCC	4625
+C1CC1(C#N)c2cc(c(cc2)OC)C=O	582
+O=Cc1c(cccc1)CCCCCCC	582
+c1ccccc1COc2ccc(C=O)cc2CC	582
+FC(F)(F)C1(ON=C(C1)c2ccc(C(O)=O)c(c2)C)c3cc(Cl)c(c(Cl)c3)F	1423
+o1nc(-c2cc(F)ccc2)c(c1N)C(=O)OC	8914
+C1C(CC1=O)CCC(=O)OCC	2744
+CC1(C)C(Cl)(Cl)C1CC#N	677
+c12c(ccc(OC)c1)CCC(Cl)C(=O)N2	4626
+C12CC(=O)CC1C(CC2)CCCCC(CC)OC	8915
+ClC1(Cl)CC1(C)CCOc2ccc(N)cc2Cl	0
+c1c2NC(C(Cl)CCc2c3ccccc3c1)=O	4626
+c1cc(ccc1OC)COC=2C(N(C)C(=NC=2)Cl)=O	8916
+Clc1ccc(C=Cc2occ(n2)CCl)cc1F	2237
+Clc1cn2cc(nc2c(Cl)c1)CCl	1261
+FC(F)(F)c1ccc(cc1)C=Cc2occ(n2)CCl	2237
+FC1(F)Oc2c(cc(cc2)C=Cc3occ(CCl)n3)O1	2237
+c1(c(Br)sc(-c2occ(CCl)n2)c1)C	8917
+c1cccn2cc(nc12)CCl	1261
+n1c(cn2nc(cnc12)-c3ccc(cc3F)F)CCl	8918
+c1c(ccc(C=Cc2occ(n2)CCl)c1F)F	2237
+c1c2nc(cn2c(cc1)F)CCl	1261
+c1cc(ccc1-c2nc(co2)CCl)Cl	4627
+c1cc(ccc1N2C(=O)n3c(nc(c3)CCl)C=C2)F	8919
+n1c(-c2nc(cs2)CCl)c3n(-c4ccccc4C(N(C)C3)=O)c1	2381
+c1ccccc1COc2ccc(cc2)-c3occ(n3)CCl	4627
+c1nc(-c2scc(n2)CCl)c3CN(C(c4c(ccc(c4Cl)F)-n13)=O)C	2381
+O=C1c2c(N=C(N1c3ccc(c(c3)Cl)Cl)SCC(=O)NC4c5c(CC4)cccc5)cccc2	8920
+C1=CCC(C1)(C(=O)OC)c2cc(F)cc(OC)c2	8921
+c1([N+]([O-])=O)cccc(OCCCl)c1N	72
+C1CN(CCN1C)c2cc3c(cc2)c4cc(Br)cc(C(N)=O)c4[nH]3	386
+c1cc(ccc1)CN2CCC3(CC2)c4ccncc4NC3=O	4628
+C1CN(CCO1)c2cc(nc(Cl)n2)C3(CCN(CC3)Cc4ccccc4)S(=O)(=O)C	3772
+Clc1ccc2c(c(C(OC)=O)[nH]c2c1)NCC(c3ccc(F)c(F)c3)=O	8922
+O=S(=O)(C)NN1C(=O)Nc2cc(c(cc2C1=O)-c3ccnn3C)C(F)(F)C	8923
+FC(F)(F)COc1nc(ccc1)CCl	515
+FC(F)(F)c1c(C)n2nc(ccc2n1)CCl	515
+FC(F)(F)c1c(C)nc(cc1)Oc2cc(ccc2)CCl	229
+FC(F)(F)c1c(Cl)ccc(Oc2ccc(cc2C#N)CCl)c1	229
+FC(F)(F)c1c(F)ccc(Oc2ccc(cc2C#N)CCl)c1	229
+FC(F)(F)c1c(Br)cn(CCl)n1	8924
+FC(F)(F)c1cc(Oc2ccc(cc2)CCl)ccc1Cl	229
+FC(F)(F)c1ccc(Oc2cc(CCl)cc(c2)C)nc1	229
+FC(F)(F)c1ccc(cc1)-c2cc(CCl)cnc2	1045
+FC(F)(F)c1ccc(cc1)-c2sc(CCl)c(n2)CCCOCc3ccccc3	2814
+FC(F)Oc1ccc(CCl)cc1OC	229
+CC(C)n1nccc1-c2cc3C(N(C(=O)Nc3cc2C(F)F)NS(=O)(=O)C)=O	8925
+O=S(=O)(CCC)N(S(=O)(=O)CCC)c1c(c(c(c(c1)F)F)C(c2ccc3ncc(nc3c2)Cl)=O)F	8926
+N1(CC=C(C)c2cccc(c12)CCl)C	229
+O(C)c1c(C(Cl)C)cc(Cl)c(C)c1Br	4629
+O(C)c1cnc(c(Cl)n1)CCl	1736
+O(c1c(Cl)ncc(CCl)c1)C	1045
+O(c1cccc(c1)CCl)c2ncc(C)cc2	229
+c1c(cc2CCC(Oc2c1)C3CO3)F	8927
+O=S(=O)(NCc1cnccc1)c2cccc(c2)C=CC(Cl)=O	1755
+O=S(=O)(Nc1c2c(ccc1)cccc2)c3cccc(C=CC(=O)Cl)c3	1755
+O=S(=O)(Nc1ccccc1OC)c2cc(C=CC(=O)Cl)ccc2	1755
+O=S(=O)(c1cccc(C=CC(=O)Cl)c1)Nc2ccc3c(cccc3)c2	1755
+c1(ccc(C)c(n1)C#N)CCl	515
+ClCc1ccc(cn1)C(=O)OC	515
+c1(C)cccc(C)c1CNc2cccn3c2nc(CCl)c3C	1736
+c1(CCl)sc(NC(=O)C)nc1	2814
+COc1cc(cc(OC)c1OC)-c2ncnc(CCl)c2	515
+c1(c(c(Cl)ccc1)C(=O)OC)[N+]([O-])=O	1170
+c12c(c(Cl)ccc1)nc(-c3c(cccc3)F)c(CCl)c2	1045
+c1(CCl)cccnc1N2CC(CC2)F	1045
+ClCc1n(C)nc(CC)c1Cl	515
+c1cccn2c1nc(CCl)c2CCC	1736
+C(Cl)c1cnc2c(c1)nc(s2)-c3c([N+]([O-])=O)cccc3	1045
+ClCc1nc2c(cc3c(c2)CC4(c5cccnc5NC4=O)C3)cc1	515
+c1ccc2CCCN(C)c2c1CCl	229
+Clc1cncc(Cl)c1CCl	229
+c1(cc(cc(Cl)c1)C(C)(C)C(=O)Cl)Cl	4265
+c1c(OC)c(Cl)ccc1CCl	229
+c1c(c(cc(c1Br)C#N)[N+]([O-])=O)N(C(C)CCl)C	723
+c1c(cc(N)c(c1)N(C)CCCl)Br	723
+c1(C(=O)OC)c(cc(cc1F)F)NC(=O)Cc2ccc3OCOc3c2	1170
+c1c(cnc(c1F)CCl)F	515
+c1c(ncc(-c2c(c(Cl)cc(c2OC)C(Cl)C)C)c1)C#N	4629
+c1cc(ncc1F)CCl	515
+c1ccccc1-c2c(c(C(OC)=O)c3c(cccc3)n2)C	1170
+c1cc(ccc1)-c2cc(cc3cc(ccc23)O)CCl	229
+c1cc(ccc1)C(=O)N2CCN(CC2)c3ccc(c(NCc4ccccc4)c3)C(OC)=O	1170
+c1cc(ccc1)COC(=O)Nc2cc([N+]([O-])=O)c(c3ccccc23)CCCl	723
+c1cc(ccc1)N(C(C)C)CCCl	723
+c1cc(ccc1CCl)-c2nccnc2NS(=O)(=O)c3ccccc3Cl	229
+c1cc(ccc1CCl)-n2cc(cc2C#N)C=C	229
+c1cc(ccc1C#C)CCl	229
+c1cc(ccc1C#CC#N)C(=O)Cl	4630
+c1cc(ccc1C(=O)CNC(OCc2ccccc2)=O)C(Cl)=O	4630
+c1cc(ccc1SC)CCl	229
+c1cc(ccc1SCCCCl)NC(=O)C	723
+c1cc(nnc1C(=O)OC)Cl	1170
+c1ccc2CN(Cc2c1)C(=O)c3c4cc(ccc4nc(n3)N)-c5cc(ccc5CCl)F	229
+c1cc(ccc1-n2c(nc(-c3c(noc3C)-c4ccccc4)c2)CCl)[N+]([O-])=O	8928
+c1ccccc1COc2nc(C)cc(C)c2CCl	1045
+c1ccccc1COc2c(OC)c(F)cc(CCl)c2	229
+c1ccccc1COc2ccc(-c3c(OC)ccc(c3)C(C)C)c(CCl)c2	229
+c1ccccc1N2C(C(=C(C)N2C)C(=O)OC)=O	8929
+c1ccccc1NC(Nc2ccc(cc2)CCl)=O	229
+c1nc2ccc(SCCCSc3c(c(ncc3)CCl)C)nn2c1[N+]([O-])=O	515
+n1c(Nc2cc(cc(Cl)n2)CCl)sc(c1)C#N	229
+ClCc1c(nc(OC)cn1)OC	1736
+c1cc(ccc1)C(c2ccccc2)N3C(C4(COc5c4cc(OC)nc5)c6c3cccc6)=O	8930
+c1cc(ccc1)C(c2ccccc2)N3c4c(C5(COc6c5cc(c(c6)F)F)C3=O)cccc4	8931
+c1(-c2nc(F)ccc2)n(Cc3ncc(nc3OC)OC)ccn1	2238
+c1csc(-c2nccn2Cc3ncc(nc3OC)OC)n1	2238
+Oc1c(C(=O)C)cc(CC#N)cc1Br	177
+FC(F)(F)COc1nc(nc(CCl)c1)N	145
+ClCc1nc(N)nc(Cl)c1	64
+c1(ccc(Cl)cc1-c2c(c3c(nc(nc3cc2)N)N)Cl)OCc4ncccc4	412
+CNCc1ncccc1	1279
+c1c(c(Cl)cc([N+]([O-])=O)c1)OCc2ncccc2	412
+n1n(Cc2ncccc2)c3ccc([N+]([O-])=O)cc3c1	4631
+c1(cccc(F)c1NC(=O)c2oc(Cc3cc(ccc3OCc4ccccn4)Cl)cc2)F	412
+c12c(cc(cc1)Nc3ncnc4cccc(F)c34)ccn2Cc5ncccc5	8932
+c1ccccc1CCOc2ccc(cc2OCc3ccccn3)C=O	412
+CC(C)Oc1c(Cl)cc(c(N2C(=O)C3=C(C2=O)CCCC3)c1)F	1550
+O=S(=O)(C)Oc1c(Cl)cc(c(-n2c(C)c(Cl)c(n2)C)c1)F	8933
+c1(ccccc1C2=NC(C(=O)N(C)c3ccc(N)c(c23)Cl)C)F	1550
+Nc1ncc(Cl)cc1I	4632
+FC(F)(F)C(=O)NCCc1c(ccc(c1)OC)I	694
+FC(F)(F)c1cc(c(N)c(I)c1)Cl	694
+c1(I)c(N)ncc(Cl)c1Br	4632
+O=Cc1c(cc(c(I)c1)OC)OC	694
+O=S(=O)(c1cc(ccc1N)I)N	694
+C(c1c(ccc(I)c1)N)(=O)c2ccccc2Cl	694
+Nc1c(C)cc(I)cc1[N+]([O-])=O	694
+Cc1c(c(nc(n1)N)N)I	2906
+c1c([N+]([O-])=O)cc([N+]([O-])=O)c(Sc2ccc(I)cc2NC(C)=O)c1	694
+c1cc(ccc1Cl)-c2cn3c(cnc3c(c2)C)I	8934
+c1(N)ccc(-c2sc3cc(OC)ccc3n2)cc1I	694
+c1c(cc(c(N)c1)C#N)I	694
+c1c(c2c(sc(NC(c3sc(C)cc3)=O)n2)c(I)c1)OC	8935
+FC(F)(F)C(CCCCCCCC)(C(Cl)=O)F	4633
+O=S(=O)(c1nccn1CC(Cl)=O)C	4633
+c1cc(ccc1Cc2ccc(cc2)[N+]([O-])=O)CS(=O)(=O)Cl	8936
+O=S(=O)(c1ccccc1Cc2c(n(c3c2cc(F)cc3)CC(OC)=O)C)Cl	4634
+C(c1ccc(cc1I)F)(Cl)=O	3011
+c1c(ccc(Oc2cc(C(Cl)=O)ccc2[N+]([O-])=O)c1F)F	3011
+O=S(=O)(Cl)c1ccc(cc1)OCC#Cc2ccc(cc2)Cl	4634
+c1([N+]([O-])=O)c(Cl)c(c(Cl)nc1)Br	137
+c1(cc(F)ccc1)-c2[n+](c(c(Cl)cc2C(=O)OC)Cl)[O-]	375
+Clc1cc(Br)cc(Oc2c(ccnc2Cl)C)c1	137
+Clc1cc2c(c([N+]([O-])=O)cnc2cc1)Cl	120
+Clc1cc2c(nc(CCC)nc2Cl)cc1	64
+Clc1cc2c(cc1)cc(nc2Cl)C#N	8937
+Clc1ccc(CCN2C(=Nc3c(ccc([N+]([O-])=O)c3)C2=O)Cl)c(Cl)c1	4635
+Clc1ccc(c(Cl)c1)-c2c(c(Cl)ncc2)[N+]([O-])=O	137
+Clc1ccc(c(Cl)c1)-c2cc3n(ccn3)c(Cl)n2	3992
+Clc1ccc2c(nc(Cl)nc2)c1	1047
+Clc1ccc2[n+](c(c3c(c2c1)n(cn3)-c4c(Cl)cccc4)Cl)[O-]	8938
+Clc1ccc2c(Cl)nncc2c1	218
+Clc1cccc(c1)-c2c3c(nc(n2)Cl)ccc(c3)Br	1047
+Clc1cccc(c1)-c2nc(Cl)cc(CC)n2	64
+Clc1cccc(c1)-c2nnc(Cl)c(C)c2	218
+FC(F)(F)c1n2c(nc(Cl)c1)c(cn2)C(=O)OC	8939
+FC(F)(F)Cc1sc2ncnc(Cl)c2c1	779
+FC(F)(F)Oc1ccc2c(c1)ccc(n2)Cl	532
+FC(F)(F)c1ncnc(Cl)c1C	64
+FC(F)(F)c1c(N2CCc3ncnc(Cl)c3CC2)nccc1	64
+FC(F)(F)c1nc2c(ccc(OC)c2)nc1Cl	1221
+FC(F)(F)c1cc(cnc1Cl)Br	137
+FC(F)(F)c1ncnc(Cl)c1Br	64
+FC(F)(F)c1c([n+]([O-])c(cc1)Cl)Cl	375
+FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc(n1)Cl	740
+FC(F)(F)c1cc(Nc2nc(CCC)cc(Cl)n2)ccc1F	64
+FC(F)(F)c1cc(Cl)nc2c1cn[nH]2	137
+FC(F)(F)c1cc2c(cc1)c(c(C(NCc3cc(ccc3)F)=O)c(SCC)n2)Cl	120
+FC(F)(F)c1ccc2c(nc(nc2Cl)-c3c(SCC)cc(Cl)cc3)c1	64
+FC(F)(F)c1cc2c(cc1)c(Cl)nc(-c3c(SCC)cccc3)n2	64
+FC(F)(F)c1ccc(cc1)-c2cc(nc(Cl)n2)C	740
+FC(F)(F)c1cc2c(cc1)nc(c(C(OC)=O)c2Cl)C	120
+FC(F)(F)c1ccnnc1Cl	218
+FC(F)(F)c1cc2c(Cl)nccc2nc1	3012
+FC(F)(F)c1nc(Cl)c2c(n1)cccc2	64
+FC(F)(F)c1ccc(cn1)-c2cc(nc(n2)Cl)C	740
+FC(F)(F)c1cc(c(cn1)I)Cl	120
+FC(F)(F)c1ccn(-c2ccc(c([n+]2[O-])Cl)C)n1	375
+FC(F)(c1ncc(cc1)F)c2nc(Cl)c3c(cccc3)n2	64
+FC(F)(c1ccc(F)cn1)c2nc(c3c(cc(OC)cc3)n2)Cl	64
+FC(F)(c1nc2c(cccc2Cl)c(n1)Cl)c3ncc(F)cc3	64
+c1(F)cc2nc3n(nc(C)c3c(c2cc1F)Cl)-c4ncccc4	4561
+Ic1c2c(n(n1)C)ncnc2Cl	1203
+N#Cc1c(Cl)nc(C)c(c1)[N+](=O)[O-]	137
+N#Cc1c(Cl)ncc(I)c1	137
+N#Cc1c(c(F)ccc1)-c2cc(ccc2F)-c3cc(Cl)nnc3	218
+N#Cc1c2c(c(Cl)nc1)cc(Br)s2	1799
+c1cc2c(cc1)nc3n2c(Cl)c(CCCCCC)c(c3C#N)C	8940
+c1(c2ccc(cc2c(Cl)nn1)Br)O	8941
+O(C(C)=O)CCc1c[nH]c2nc(SC)nc(Cl)c12	1032
+O(C)CCOc1ccc2nc(Cl)n[n+]([O-])c2c1	4637
+c1c(nc(Cl)c(c1Cl)[N+]([O-])=O)COC	8942
+O(C)c1c(C)nccc1Cl	120
+c12c(cc(OC)cc1OC)ncnc2Cl	64
+O(CC)C(=O)C(C)c1cccc(Cl)[n+]1[O-]	375
+c1cc2c(cc1)c(O)c(C(OCCCC)=O)nc2Cl	137
+O(c1c(Cl)ncnc1)C	64
+O(c1c(Cl)nccc1)C	137
+C(C)N(CC)S(=O)(=O)c1c(n2c(nnc2Cl)cc1)C	8943
+O=S(=O)(Nc1c(ccc(C)c1Cl)Cl)c2nc3nc(C)cc(n3n2)Cl	4636
+O=S(=O)(c1cccc(-c2cnc(c3[nH]c4c(cc(C)cn4)c23)Cl)c1)CC	8944
+c1(C#N)cnn2cc(cc2c1Cl)Br	2411
+c1([N+]([O-])=O)cnc2c(CCC2)c1Cl	120
+c1nnccc1-c2nc3ccccc3c(Cl)n2	64
+c1cccc(-c2nc(c3sccc3n2)Cl)c1OC	2679
+c1c(c(OC)ccc1-c2nc(c3ccc(OC)cc3c2)Cl)F	137
+c1cc2ncccc2cc1C(=O)c3cc4c(cc3)nc(nc4-c5cc(ccc5)Cl)Cl	1047
+n1c2ccccc2c(Cl)nc1CCl	64
+c1c(Cl)nc2c(C(CCC2)=O)c1	137
+c1c(Cl)nc2c(C(NCC2)=O)c1	137
+c1cc2cccc(Br)c2nc1Cl	532
+c1cc2c(nc1Cl)c(ccc2)O	532
+c1cc2c(cc(Br)nc2)nc1Cl	532
+[N+]([O-])(c1cc2n(ncc(C#N)c2Cl)c1)=O	2411
+[N+](c1cc(Cl)c2ncc(C#N)c(Cl)c2c1)([O-])=O	120
+c1(C(=O)OC)ccc([n+]([O-])c1CCl)Cl	375
+[O-][n+]1c(Cl)cnc(C(=O)OC)c1C	2904
+c1(c(Cl)[n+]([O-])c(Br)cc1[N+](=O)[O-])NC	375
+c1cccc(-c2nc3ccccc3c(Cl)n2)c1OC	64
+c1cccc(-c2nc3c(c(Cl)n2)cc(F)cc3)c1OC	64
+Clc1c2CSCc2nc(-c3ccc(s3)Cl)n1	64
+c1(Cl)c(C(=O)O)cc(cn1)[N+](=O)[O-]	137
+c1(C)c2c(c(Cl)ncc2Br)ccc1	137
+c1(c([n+]([O-])c(Cl)cc1C)Cl)[N+]([O-])=O	375
+n1c(C)c(c(nc1Cl)C)Br	740
+c1(C)nc2c(c(Cl)c1)cc(cc2OC)F	120
+c12c(Cl)cc(C)nc1c(Br)ccc2	120
+c1(CCCC(=O)OC)cc2c(ncc(C#N)c2Cl)s1	8945
+c1(F)c(Cl)cc[n+]([O-])c1C	8946
+c1(F)cc(cc(F)c1-c2c(Cl)nnc(-c3c(F)cccc3)c2-c4cc(OC)cc(c4)OC)F	218
+c12cc(F)c(F)cc1c(Cl)ncn2	64
+c1(I)c(Cl)ccnc1CC	120
+Clc1c2c(ccs2)ncc1[N+](=O)[O-]	8947
+c1(c2ccc(OC)cc2c(Cl)nn1)COC	218
+c1([N+]([O-])=O)cc2c(ncnc2cc1F)Cl	64
+c1([N+]([O-])=O)cccc(-c2c(C#N)c(Cl)nc(SC)n2)c1	64
+c1(c(-c2ccncn2)cc(c(n1)Cl)C#N)-c3occc3	137
+c1(c(c(Cl)ncc1)C#N)C	137
+c1(c(CC)nc(Cl)c(c1)C#N)C(=O)OCC	137
+c1(c(nc(nc1Cl)C)C(=O)OCC)CCC	64
+c1(c(F)ccc2ncc(Cl)nc12)C	1221
+c1(c(Cl)ncc(c1)C(OCC)=O)C	137
+c1(c([N+]([O-])=O)cc2c(ncnc2c1)Cl)NCC	64
+n1c(Cl)c(c(nc1CC)Cl)I	64
+c1(C(=O)O)c(Cl)c(Cl)nc(n1)-c2c(c(OC)c(Cl)cc2)F	64
+c1(c(F)c(ncn1)Cl)CC	64
+c1(Cl)nccc(O)c1[N+](=O)[O-]	137
+c12c(CCC1C)ncnc2Cl	64
+c1(c2c(Cl)ncc(c2sc1)C(OCC)=O)C	1799
+c12c(c(C)cc(c1)Br)nc(-c3cnccc3)nc2Cl	64
+c1nc(c2c(cc(OC)c(c2)F)c1OC)Cl	137
+Clc1c2c(ccc(c2nc(c1)C)F)F	120
+c12c(nc(nc1Cl)C)sc(C)c2	779
+c12c(Cl)nncc1cc(-c3c(C)ccc(c3)C(=O)OC)cc2	218
+c1c(cc2c(c(Cl)nnc2)c1)Br	218
+Clc1nc(C)nc2c(cccc12)O	64
+c1ccc2c(c(C)nc(c2c1)Cl)CC(=O)O	137
+c1(c2c(ccc1C)c(Cl)ncc2)-c3cc4c(cc3)nc(NC)nc4	137
+c1(c2n(ccnc2)nc1)-c3ncc([N+]([O-])=O)c(Cl)n3	64
+c1(C)cc(Cl)nc(-c2nc(CCC)ccc2)n1	64
+c1(C)cc(cc(C)c1)-c2c(ncc([n+]2[O-])Cl)-c3cc(C)cc(C)c3	2904
+c1(cc(ccc1)NC(C)=O)-c2nnc(cc2)Cl	218
+c1([n+]([O-])c(c(C)cc1)C(=O)OC)Cl	375
+c1(cncc(Br)c1Cl)Br	120
+c1(c(Cl)nc(C)cc1C)[N+]([O-])=O	137
+c1(ccc(cc1Cl)-c2nc(Cl)nc(c2)C)Cl	740
+N#Cc1c(O)nc(C)cc1Cl	120
+c12c(CCCC1)nc(N)nc2Cl	64
+n1c2c(c(Cl)cc1-c3c(cccc3)OC)cccc2	120
+c1(nc2c(c(Cl)c1)cc(cc2)Br)C	120
+c12ccccc1[n+](nc(Cl)n2)[O-]	4637
+c1(ccccn1)-c2c(nccc2)Cl	137
+n1cnc2COC(C)c2c1Cl	64
+n1cnc2n[nH]cc2c1Cl	1203
+c12c(Cl)nncc1c(c(C)cc2)I	218
+c12c(nc(Cl)n3c1ncn3)ccc(Br)c2F	8948
+c12c(Cl)nc(N)nc1-c3c(OCC2)cccc3	64
+C1CC(OC)c2ncnc(Cl)c12	64
+c1(Cl)c2c(c(C(=O)OC)cn1)n(C)cc2	3012
+c12CCCCc1nc(c([N+]([O-])=O)c2)Cl	137
+C(Oc1c(OC)cc2c(c(C#N)cnc2c1)Cl)CCCl	120
+COc1c(OCCOC)cc2ncc(C#N)c(c2c1)Cl	120
+c12c(c(C)cc(c1)Br)nc(Cl)c(c2)F	532
+c12c(ncnc1Cl)sc(CC)c2	779
+c1cc2c(nc1Cl)c(F)ccc2	532
+c12N=C(N(CC)C(=O)c1cccc2Br)Cl	4635
+c12c(nccc1Cl)c(I)ccc2	120
+c12c(cnc(c1cccc2C)Cl)C(=O)O	137
+c12c(cncc1)[nH]c3c2c(ncn3)Cl	1032
+Clc1c(Br)cc2c(ncnc2c1)Cl	64
+COc1c(OCCOC)cc2c(c(ncn2)Cl)c1	64
+COc1c(OCC)cc2c(c(ncn2)Cl)c1	64
+n1cnc2cnc(cc2c1Cl)-c3nnc(o3)C	64
+n1cnc2c(ccc(C)n2)c1Cl	1032
+c12nnc(Cl)c(c1CCCC2)C#N	218
+c12c3c(-c4c(C)c([N+]([O-])=O)ccc4)nnc(Cl)c3[nH]c1cc(cc2)C(=O)C	4638
+c12c3c(c(Cl)cc(C)n3)ccc1cccn2	120
+c12cc(OC)cc(OC)c1c(Cl)ccn2	120
+c1(cnc2ccc(OC)cc2c1Cl)C(=O)OCC	120
+c12cc([nH]c1c(ncn2)Cl)-c3occc3	1268
+c12cc(cc(c1c(ncn2)Cl)OCCCl)OC	64
+c1(nc2ccc(C)cc2[nH]1)Cl	3013
+c12ccc(C#N)cc1[nH]c3c2c(ncn3)Cl	1032
+[n+]1([O-])c2c(cc([N+]([O-])=O)c1Cl)cccc2C	3015
+O(C)C(Cc1c(nc2c3c(nn2c1Cl)cccc3)C)=O	8949
+Clc1ccc2cc3c(CC4(c5cccnc5NC4=O)C3)cc2n1	532
+c1c(OC)ccc2n3c(nnc3c(Cl)nc12)CC	8950
+n1c2ccc(C)nc2c(Cl)cc1	4639
+n1cc(c(Cl)c2c1cccc2)I	120
+Cc1ccc2c(cc[n+]([O-])c2Cl)c1[N+]([O-])=O	375
+c1(Br)c2c(ccc1)c([n+](cc2)[O-])Cl	375
+c1c2c(c([n+](c1OCC)[O-])Cl)cccc2	375
+c1c(-c2cc3nc(C)c(CC(OC)=O)c(Cl)n3n2)cc4CCCCc4c1	4263
+c1c(Br)c(Cl)cc2nc(Cl)ncc12	1047
+CC(C)c1ccc(c(OCc2c(C)nc(-c3c(C)cccc3C)nc2Cl)c1)C	64
+c1c(C)c(c(cc1)C)Oc2cc3c(Cl)nc(-n4cc(cn4)C(=O)OCC)nc3cc2F	64
+c1c(C)ccc(N2CCc3c(C2)c(ncn3)Cl)n1	64
+c1c(C)nn(CC(=O)c2c(cc(nc2C)C)Cl)c1C	120
+c1c(c(C)c([N+]([O-])=O)cc1)CCCl	8951
+Clc1cc(cc(Cl)c1-n2cc3c(Cl)[n+]([O-])cc(c3n2)F)[N+]([O-])=O	8952
+Cc1c(Cl)c2c(nc1-c3c(cccc3)F)cccc2	8953
+Fc1cc(cc(F)c1)-c2n3nc(C)cc3nc(Cl)c2	4640
+c1c(OC)ccc2[n+]([O-])c(c(cc12)[N+]([O-])=O)Cl	3015
+[n+]1(cc(Br)cc(OCC)c1Cl)[O-]	375
+c1c(c(cc(-c2nc3c(cc2)ncnc3Cl)c1)C)OC	1268
+c1(cnc2ccc(cc2c1Cl)Br)C(=O)OCC	120
+c1c(cc2c(c1)ncc(Cl)n2)Br	1221
+c1c(cc2c(Cl)cc(-c3cc(F)ccc3)nc2c1)Br	120
+c1c(cc2ncc([N+]([O-])=O)c(c2c1)Cl)Br	120
+c1c(Cl)c(-c2cc3n(n2)c(ccn3)Cl)ccc1	8954
+c1(nc2c(c(F)ccc2)[nH]1)Cl	3013
+c1(ccccc1-c2nnc(Cl)c3c2ccc(OC)c3)OC	218
+c1c2c(ccc1OC)c(Cl)nc(Nc3ccn[nH]3)c2	137
+N#Cc1cnc2c(c1Cl)cc3c(c2)cc(OCCCl)c(OC)c3	120
+N#Cc1cnc2c(c1Cl)cc3c(cc(c(OC)c3)O)c2	120
+c1c2c(nc(Cl)nc2)cc(OC)c1Br	1047
+c1c2c(c(Cl)ncc2[N+](=O)[O-])ccc1	137
+c1c2c(ccc1C)ccnc2Cl	137
+c1c2c(ccc1OC)c(cc(Cl)n2)C	532
+c1c2c(ccnc2)c(nc1-c3cc(Cl)ncc3)Cl	137
+c1ccc2c3cc(Br)ccc3nc(Cl)c2c1	532
+c1c2ccc(Cl)nc2ccc1OC	532
+c1c2nccc(Cl)c2ncc1OC	4639
+c1(c(-c2ccc(s2)Cl)nn(c1)C(C)CC)-c3cc[n+](c(c3)Cl)[O-]	375
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4cc(Cl)[n+]([O-])cc4	375
+CC(C)c1ccc(cc1)-c2cc[n+](c(Cl)c2)[O-]	375
+c1cc(Br)c(Cl)[n+]([O-])c1C(=O)OC	375
+c1cc(cc(F)c1F)-c2cc(nc3cc(C)nn23)Cl	4640
+c1cc(cc(c1Cl)Cl)N=C(N)Nc2nc(cc(Cl)n2)C	64
+CC(C)c1c(cc(c(n1)Cl)C#N)-c2ccccc2	137
+c1ccccc1-c2nc3c(cccc3)c(c2)Cl	120
+c1ccccc1-c2nc(nc(c2)Cl)N	64
+c1cc(ccc1)-c2cc3c(cc2)c(c([N+]([O-])=O)cn3)Cl	120
+c1cc(ccc1)-c2cnc(c(C#N)c2)Cl	137
+c1ccccc1-c2nc(c(c(n2)Cl)C(C(OC)=O)CCC)C	64
+c1cc(ccc1)-c2nnc(c3cc(ccc23)OC)Cl	218
+c1ccccc1-c2oc3c(c(ncn3)Cl)c2-c4ccccc4	2239
+c1cc(ccc1OC)-c2c3c(Cl)ncnc3oc2-c4ccccc4	2239
+c1ccccc1-c2nnc(cc2N3CCN(CC3)C(c4ccccc4)=O)Cl	218
+c1cc(ccc1)C(c2c(c3c(c(OC)ccc3)nc2)Cl)=O	120
+c1ccccc1CCc2cc([n+](c3ccc(C(=O)c4ccc(cc4)Cl)cc23)[O-])Cl	3015
+c1cc(ccc1)CN2CCc3c(CC2)ncnc3Cl	64
+c1cc(ccc1)COC(N2CCc3c(C2)nc(nc3Cl)SC)=O	64
+c1cc(ccc1)COC(=O)N2CCc3c(c(Cl)n4nccc4n3)CC2	3833
+c1cc(ccc1)Cc2c(nc(N)nc2Cl)C	64
+c1cc(ccc1)Cc2nnc(c3c2c(OC)cc(OC)c3)Cl	218
+c1cc(ccc1)Cn2ccc3c2c(Cl)nc(N)n3	1268
+c1cc(ccc1)OCc2c3ccc(OC)cc3c(Cl)nn2	218
+c1cc(ccc1)Oc2ccc(cc2)-c3c(c(cc(C4CCN(CC4)C(=O)OCc5ccccc5)n3)Cl)C#N	120
+c1cc(ccc1)Sc2cnc(Cl)cc2	137
+c1cc(ccc1-c2[n+]([O-])c(c(o2)C)CCl)C(OC)=O	8955
+c1cc(ccc1Cl)-c2c(c(Cl)nnc2)-c3ccncc3	218
+c1cc(ccc1-c2cncnc2Cl)C	64
+c1cc(ccc1)-c2oc3c(c(Cl)ncn3)c2-c4ccc(cc4)CC	2239
+c1cc(ccc1F)-c2cnnc(c2)Cl	218
+c1cc(ccc1OCc2ccccc2)-c3cc(nnc3CCCC)Cl	218
+c1cc(ccc1Cl)-c2c(nc(Cl)c(c2)C#N)-c3c(Cl)cccc3	137
+c1cc(ccc1-c2[nH]c3ncnc(c3c2)Cl)[N+](=O)[O-]	1032
+c1cc(ccc1-c2nc(c3ccsc3c2)Cl)OC	1799
+c1cc(ccc1-c2ccc3c(Cl)c(nnc3c2)I)S(=O)(=O)C	4641
+c1cc(ccc1-c2ccccc2)Cn3nc4N=C(N(C)C(=O)c4c3)Cl	8956
+c1cc(ccc1)-c2c(nc(Cl)c(C#N)c2)-c3ccc(cc3)C	137
+c1cc(ccc1-c2ncc(OC)c(Cl)n2)[N+](=O)[O-]	64
+c1cc(ccc1-c2nn(C)nn2)-c3nnc(c4cc(ccc34)OC)Cl	218
+c1cc(ccc1-c2nnc(Cl)c3cc(F)ccc23)F	218
+c1cc(ccc1C#N)-c2c(C)cc(Cl)nn2	218
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3cc4c(cc3)ncnc4Cl	64
+c1cc(ccc1C)-c2cc(c(nc2-c3c(cc(cc3)Cl)Cl)Cl)C#N	137
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)-c3nnc(Cl)cc3	218
+c1cc(ccc1)CN2N=C(C(c3ccc(cc3)Cl)=CC2=O)Cl	8957
+c1cc(ccc1C(OC)=O)-c2nc3n(ncc3)c(Cl)c2	8958
+c1cc(ccc1CC#N)Sc2c(nc(N)nc2C)Cl	64
+c1cc(ccc1F)CN2c3ccccc3C(Cl)=C(C#N)C2=O	2050
+c1cc(ccc1CN2c3c(cc(c(c3)F)C(=O)OC)N=C(Cl)C2=O)OC	4642
+c1cc(ccc1Cc2nnc(c3ccccc23)Cl)OC	218
+c1cc(ccc1-c2c3n(nc2-c4c(Cl)cccc4)c(Cl)cc(C)n3)Cl	1591
+c1cc(ccc1-c2c(nnc(Cl)c2)-c3ccccc3Cl)Cl	218
+CC(C)c1cc(Cl)nc(-c2ccc(cc2)Cl)n1	64
+c1cc(ccc1Cl)N2c3c(cccc3)N=C(Cl)C2=O	4642
+c1cc(ccc1Cn2c3c(Cl)nncc3cc2C)OC	4638
+c1cc(ccc1Cn2nc3c(c4c(cccc4)nc3Cl)c2)OC	8959
+c1cc(ccc1-c2nc3c(cccc3)c(Cl)c2)F	120
+c1cc(ccc1F)-c2ccc3ncnc(Cl)c3c2	64
+c1cc(ccc1F)C(F)(F)c2nc(c3sccc3n2)Cl	2679
+c1cc(ccc1Nc2nc(Cl)c(Br)cn2)S(=N)(=O)C	64
+c1cc(ccc1N(c2nc(Cl)c3cc(ccc3c2)Cl)C)O	137
+c1cc(ccc1-c2c3c(ncnc3Cl)oc2-c4ccccc4F)OC	2239
+c1cc(ccc1OC)C(=O)c2cc3c(nc(nc3cc2)Cl)-c4cc(ccc4)Cl	1047
+c1cc(ccc1OC)CN2c3c(C(=C(C2=O)C(OCC)=O)Cl)cc(cn3)F	8960
+c1cc(ccc1Cc2c(Cl)nc(nc2C)N)OC	64
+c1cc(ccc1-c2nc(c(CCCCCCCC)cc2)Cl)OCCCCCCCC	137
+c1cc(ccc1OCCCCCCCC)-c2nc(c(cn2)C(=O)OCC)Cl	64
+c1cc(ccc1[N+](=O)[O-])-c2cc(Cl)c(c(n2)-c3ccc(cc3)Oc4ccccc4)C#N	120
+c1cnccc1-c2nc(nc(c2)Cl)N	64
+c1cc2ncc(C#N)c(c2cc1I)Cl	120
+n1cnc2nc(ccc2c1Cl)Cl	1032
+c1cc2c(c(Cl)cc(n2)C)cc1I	120
+c1(cc(ccc1)OC)-c2[n+](c(ccc2CC(OC)=O)Cl)[O-]	375
+C1(=O)c2ccccc2C(=O)N1c3[n+]([O-])c(c(C)c(C)c3)Cl	375
+c1cccc(-c2ccc(Cl)nn2)c1O	218
+c1cc(ccc1)-c2nnc3c(c(ccc3)C)c2Cl	4641
+c1cc(ccc1)-c2nc(nc3c2cccc3)Cl	1047
+c1ccccc1-c2c(C#N)c(Cl)nc(C(C)C)c2	137
+c1cc(ccc1)-c2ncc(Cl)nc2	4505
+c1ccccc1-c2csc3c2c(Cl)nc(CCl)n3	779
+c1ccccc1-c2nc(c(C(=O)OCC)cn2)Cl	64
+c1cc(ccc1)-n2c(-c3ccccc3)nc4c2ncnc4Cl	8961
+c1ccccc1CN2Cc3nnc(Cl)cc3CC2	218
+c1ccccc1CN2Cc3ccc(Cl)nc3CC2	137
+c1ccccc1COC2CC(C2)S(=O)(=O)Cl	8962
+c1ccccc1COCC(C)Cc2nc(Cl)c(C#N)c(n2)-c3cc(c(Cl)cc3)Cl	64
+c1ccccc1COCc2ncnc(Cl)c2I	64
+c1ccccc1COCc2nc3c(c(Cl)n2)cc(cc3)OC	64
+c1ccccc1COc2cc3c(ncnc3cc2OC)Cl	64
+c1ccccc1COc2c(Br)cc3c(cc(nc3c2)C)Cl	120
+c1ccccc1COc2cc3c(c(cnc3cc2OCCOC)C#N)Cl	120
+c1ccccc1COc2cc3nccc(Cl)c3cc2	120
+c1ccccc1COc2c(OC)cc3c(c2)nccc3Cl	120
+c1ccccc1COc2ccc3c(c([N+]([O-])=O)cnc3c2)Cl	120
+c1ccccc1CSc2cc3c(F)cnc(Cl)c3cc2	137
+c1ccccc1CSc2cc3ncnc(Cl)c3cc2	64
+c1ccccc1Nc2nc(C)cc(n2)CCl	8963
+c1ccccc1Oc2ccc3ncc(C(=O)OCC)c(Cl)c3c2	120
+c1cc(-c2cc(cc(-c3ccccn3)n2)Cl)ncc1	120
+c12ccc(C)c(c1ccnc2Cl)I	137
+c1cc(ccn1)-c2c(nc(nc2Cl)N)-c3cc(F)ccc3	64
+c1cc(ccn1)-c2ncc(C(OCC)=O)c(Cl)n2	64
+c1(Cl)cnc2c(ccnc2Cl)n1	1221
+S(c1ccc2ncc(Cl)nc2c1)C	1221
+c1nccc(C=2N=C(Cl)N(C(C=2)=O)C)n1	8964
+n1(-c2ccc3c(c(ncn3)Cl)c2)ccnc1	64
+n1(-c2ncccc2Cl)ncc3c(ncnc13)Cl	1203
+c12n(ccn1)c(Cl)nc(-c3cnn(C)c3)c2	8965
+c1(Cl)n2nc(C)cc2nc(C)c1	8966
+n1cnc2n(-c3ncccc3)ncc2c1Cl	1203
+n1c(C)c(c(nc1Cl)C)C(OCC)=O	740
+n1c(nc(Cl)c2cc(C)ccc12)CCl	64
+n1c(nc(Cl)cc1)COC(CCCCC)=O	64
+n1c(Nc2ncc(C)c(c2)CCl)sc(c1)C#N	8967
+n1c(Cl)c2N(C(C(=Cc2cn1)C(OCC)=O)=O)C	218
+n1c(SC)nccc1-c2c(nc(Cl)c(C#N)c2)-c3occc3	137
+n1c(nc2sccc2c1Cl)C(=O)OCC	779
+c1(N)nc(Cl)nc(C#N)n1	8968
+c12c(nc(C)nc1Cl)CCCC2	64
+n1c(Cl)c(C#N)cnc1Nc2cccc(OC)c2	64
+c1(Cl)nc(nc2c1[nH]cc2)CCCC	1268
+c12cc3c(OCO3)cc1c(Cl)ncn2	64
+n1c2ccc([N+]([O-])=O)cc2c(Cl)nc1-c3nccnc3	64
+c1c(c2c(nc1CCC)ccc([N+]([O-])=O)c2)Cl	120
+n1c2ccc(cn2c(-c3nc(Cl)ccn3)c1)F	64
+n1cc(I)c(c(C#N)c1)Cl	120
+n1ccc(nc1Nc2cccc(-c3csc(n3)C)c2)Cl	64
+n1cccc2c(Cl)nccc12	3012
+c1nc(Cl)nnc1-c2ccccc2F	8969
+n1nn2c(c([N+](=O)[O-])c(c3c2cccc3)Cl)n1	3014
+c1cc2c(nnc(-c3cscc3)c2cc1)Cl	218
+C(c1ccncc1Cl)(=O)Cl	82
+Clc1c2c(c(ncn2)Cl)ccc1	569
+Clc1cc(cc(OC)c1)CCl	109
+Clc1cc2oc(CCl)cc2c(Cl)c1	2240
+Clc1ccc(c(-c2c(cno2)CCl)c1)Cl	1703
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(Cl)=O)n2)c1	130
+c1(Cl)cccc(Cl)c1-c2noc(C(C)C)c2CCl	1703
+Clc1nc2c(cc1C(Cl)=O)cccc2	1082
+FC(F)(CCC(=O)Cl)Cl	130
+FC(F)(F)C(=O)N1CCC(CC1)c2ccc(cc2)C(Cl)=O	82
+FC(F)(F)C(C1=CC(=O)C(OCc2ccccc2)=C(N1C)CCl)O	8970
+FC(F)(F)C1CCC(CC1)C(=O)Cl	130
+FC(F)(F)CCN1CCC(CC1)C(Cl)=O	130
+FC(F)(F)CCOc1c(Cl)cc(c(c1Cl)C(=O)Cl)F	82
+FC(F)(F)CCSCCC(Cl)=O	130
+FC(F)(F)CNC(=Nc1cccc(c1)CCl)N	8971
+FC(F)(F)COc1cc2c(cc1OC)c(Cl)ncn2	569
+FC(F)(F)CSCC(=O)Cl	130
+FC(F)(F)Oc1cc(C(Cl)=O)cc(C#N)c1OC	82
+FC(F)(F)Oc1c(OC)c(cc(C(=O)Cl)c1)Cl	82
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(n2)C)CCl	512
+FC(F)(F)Oc1ccc(cc1)OCC(=O)Cl	130
+FC(F)(F)c1c(-c2[nH]c3ccc(C(=O)Cl)cc3n2)c(Cl)ccc1	82
+FC(F)(F)c1cc(ccc1OCC2CC2)CCl	109
+FC(F)(F)c1cccc2c(n(-c3ccccc3)nc12)Cl	8972
+FC(F)(F)c1c(cccc1)S(=O)(=O)Nc2c(nccn2)-c3ccc(cc3)CCl	109
+FC(F)(F)c1c(C(Cl)=O)sc(C)n1	8973
+FC(F)(F)c1cc(ccc1)-c2nc(c(C(CC)Cl)cc2)C	4643
+FC(F)(F)c1cc(c(c(c1)[N+]([O-])=O)Cl)C(Cl)=O	82
+FC(F)(F)c1c(OCCCCCCC)ccc(CCl)c1	109
+FC(F)(F)c1cc(c(c(c1)OC)C(=O)Cl)SC	82
+FC(F)(F)c1cc(ccc1CC2CCCCC2)CCl	109
+FC(F)(F)c1cc(nc(c1C(Cl)=O)Cl)Cl	1082
+FC(F)(F)c1ccc(cc1)-c2cc(c(s2)CCl)C	3016
+FC(F)(F)c1ccc(cc1)-c2cnc(CCl)cc2	512
+FC(F)(F)c1ccc(cc1)CC(Cl)=O	130
+FC(F)(F)c1ccc2c(c(cnc2c1)CCl)O	447
+FC(F)(F)c1csc(CCl)c1	3016
+FC(F)(F)c1ncc(-c2nc(c(cn2)CCl)CCOC)cc1	4644
+FC(F)Oc1c(F)c(C(=O)Cl)cc(c1F)F	82
+FC(F)Oc1cc(nn1C)-n2c(C)c(C(Cl)=O)cn2	3017
+FC(F)c1c(c(n(n1)C)F)C(Cl)=O	3017
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3nc(cs3)C=4CC(ON=4)c5c(CCl)cccc5	109
+FC1(F)Oc2c(ccc(CCl)c2)O1	109
+C1CC1(c2ccc3OC(F)(F)Oc3c2)C(=O)Cl	130
+Fc1c(cc(c(C(=O)Cl)c1)Cl)F	82
+Fc1c(F)cc(c(c1)C(=O)Cl)Br	82
+c1c(F)c(c(cc1C(Cl)=O)F)OCC#C	82
+c1(cncc(F)c1N=C(c2c(Cl)cccc2[N+](=O)[O-])Cl)F	3018
+c1(cncc(F)c1N=C(c2c(cccc2F)Cl)Cl)F	3018
+N1(c2c(C(=O)N(c3ccc(Cl)nc13)C)cc(CCl)cn2)CC	447
+Nc1ccc(C(Cl)=O)cc1[N+]([O-])=O	82
+n1snc2nc(ccc12)Cl	8974
+c1(c(c(C(=O)OC)cc2nsnc12)N)Cl	8975
+O(C)CCCCOc1cc(ncc1)CCl	512
+C(c1c(OC)ncc(F)c1)(=O)Cl	1082
+O(c1c(OC)cc2c(c(ncn2)Cl)c1)C(C)=O	569
+O(c1c2C(CCCc2nc(Cl)c1)Cl)C	4643
+O1c2c(OC1)c(Cl)cc(c2)CCl	109
+O1c2cc(cc(F)c2OC1)CCl	109
+c1(C(Cl)=O)cn(c2c1ccc(OC)c2)-c3c4ccccc4ncc3	1082
+O(c1cc(cc(OC(=O)C)c1)C(Cl)=O)C(=O)C	82
+C1Cc2c(-c3cccc(C(Cl)=O)c3C1)cccc2	82
+O=C1Nc2c(cccc2)C(C1)CCCl	221
+O=Cc1cc(C(Cl)=O)cc(C)c1	82
+c1cc(ccc1NS(=O)(=O)C)C(=O)Cl	82
+O=S(=O)(C)Nc1c(C(N2CCCC(C(Cl)=O)C2)=O)cccc1	130
+O=S(=O)(C)c1c(-c2nocc2)c(C)c(cc1)C(Cl)=O	82
+O=S(=O)(C)c1ccc(c(Cl)c1C(Cl)=O)C(=O)OC	82
+O=S(=O)(Cl)C1(CC1)CC=C	1439
+O=S(=O)(Cl)CCC1CCCC1	1439
+O=S(=O)(Cl)Cc1cc2c(cccc2)cc1	1439
+O=S(=O)(N(c1cccc2c1[nH]c(-c3sc(cn3)CCl)c2)C)c4cccs4	8976
+O=S(=O)(N)c1c(C)ccc(C(=O)Cl)c1	82
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1)Cl)Cl	895
+O=S(=O)(Cl)c1cc(c(Br)c2c1cccc2)CCOC(C)=O	895
+O=S(=O)(Cl)c1c(C(C)=C)cccc1	895
+O=S(=O)(c1c(ccc(C)c1)[N+](=O)[O-])Cl	895
+O=S(=O)(N)c1cc(ccc1Cl)C(Cl)=O	82
+O=S(=O)(Cl)c1c(cc(c(C)c1)F)[N+]([O-])=O	895
+O=S(=O)(c1ccc(C(=O)Cl)c(c1C2=NOCC2)C)C	82
+O=S(=O)(c1ccc(cc1)C)N2C(CC(=O)NCCc3ccc(cc3)CCl)C(NC=C2)=O	109
+O=S(=O)(Cl)c1c([N+](=O)[O-])cc(C)cc1	8977
+O=S(=O)(c1cc2c(ncnc2O)cc1)Cl	895
+O=S(=O)(c1cccc(c1)C=CC(=O)OC)Cl	895
+O=S(=O)(c1ccc2c(CCCC2Cl)c1)c3ccccc3	525
+c1cc(ccc1S(=O)(=O)Cl)C#Cc2ncccc2	8978
+n1c(nc(Cl)c2ccccc12)-c3cc(ccc3)OC(=O)C	569
+c1cc([N+]([O-])=O)cc(-c2nc3ccccc3c(Cl)n2)c1	569
+C(Cl)(c1cccc([N+]([O-])=O)c1C)=O	82
+c1(-c2nc3cc(c(OC(C)=O)cc3c(Cl)n2)OC)cc([N+]([O-])=O)ccc1	569
+Clc1c(C(Cl)=O)c(C)ccc1	82
+c1c([N+]([O-])=O)c(F)c(C(Cl)=O)c(F)c1	82
+c1(I)c(OC)c(Cl)cc(C(Cl)=O)c1	82
+C(c1cc2c(s1)nc(Cl)cn2)(=O)Cl	2115
+Clc1cccc2cc(C(Cl)=O)sc12	2115
+c1(C)nc(Cl)cc(c1)CCl	109
+c1(Cl)cc(cc(Cl)c1C(Cl)=O)[N+](=O)[O-]	82
+Clc1cc(cc(Cl)c1C(C(Cl)=O)c2ccc(cc2)Cl)N3N=CC(NC3=O)=O	130
+Clc1cc(cc(Cl)c1OCCCCCCCCCCCC)C(Cl)=O	82
+c1(Cl)ccnc(CCl)c1	512
+Fc1ccc(cc1CCl)C#Cc2cc(C#N)cnc2	109
+c1(Nc2ccnc(n2)Nc3cccc(C(Cl)=O)c3)c(Cl)ccc4OCOc14	82
+c1(Nc2nccc(CCl)c2)nc(C)cs1	109
+c1(OC(C)=O)cc(C)cc(C(Cl)=O)c1C	82
+c1(OC)c(OC)c(cc2nc(ccc12)CCl)OC	512
+C(COc1ccnc(CCl)c1C)O	512
+C(Cl)c1c(Oc2cc(ccc2)F)cccc1	109
+C(C(Cl)=O)c1ccc([N+]([O-])=O)cc1Cl	130
+c1([N+]([O-])=O)cc2c(ncnc2cc1F)Cl	569
+c1(CCl)c(C)nccc1	447
+c1(c(c(F)c(cc1C(Cl)=O)F)Br)F	82
+c1c(I)c(c(c(CC)c1I)I)-c2ccc(C(Cl)=O)c([N+]([O-])=O)c2	82
+C(Cl)(c1c(nccc1)Nc2cc([N+]([O-])=O)ccc2)=O	1082
+c1(cc(C(Cl)=O)ccc1[N+]([O-])=O)OC	82
+c1(cc(cc2c1OCO2)CCl)OC	109
+c1c(OC)c(O)c([N+]([O-])=O)cc1C(Cl)=O	82
+c1c(C(Cl)=O)cc(C)c(OCC#C)c1OC	82
+c1(c(CCl)cc2c(c(Cl)ccc2)n1)-c3c(cccc3)Cl	447
+c1(cccc(OCC(Cl)=O)c1)Br	130
+c1(ccccc1Cl)Oc2ccc(c(c2)CCl)OC	109
+c1c(F)c(c(cn1)F)N=C(c2c(cc(cc2Cl)C#N)Cl)Cl	3018
+c1(nc2c(cn1)cccc2)COc3cc(CCl)ccc3	109
+c1(nc2c(s1)cccc2)Oc3ccc4oc(cc4c3)CCl	2240
+O1COc2c(nccc12)CCl	512
+O=C(c1cc2c(s1)nccn2)Cl	2115
+c1(F)c(CCl)cc2OCOc2c1	109
+c1(C(=O)Cl)cc2c(C(=O)c3c(O2)cccc3)cc1	82
+C(c1c(c2c(c(Cl)ccc2)nc1)O)(Cl)=O	1082
+c1(oc2cccc(c2n1)C#N)Cl	4645
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(C(Cl)=O)cc4C	82
+c12cc(ccc1cc(CCl)cc2)C	109
+c1nc(cc2ccccc12)C(Cl)C	4646
+c1ccc2c(c1)nc3c(cccc3)c2C(=O)Cl	82
+C(c1c(OC(=O)OCC)cccc1)(Cl)=O	82
+C(Cl)(c1cccc(F)c1C)=O	82
+c1c(C(=O)Cl)cc(cc1)C#C	82
+O=S(=O)(c1c(cc(cc1C)OCC(=O)Cl)C)Cl	130
+C(Cl)(=O)c1c2c(ccc1)Sc3ccc(cc3C2=O)C	82
+c1ccc(OCCOC)c(OC)c1CCl	109
+c1c(CCl)c2c(ccc(OC)c2)cc1	109
+c1(ccc2nc(nn2c1)Br)CCl	447
+Clc1cc(cc(Cl)c1C(Cl)=O)Cl	82
+c1c(Cl)c(c(cc1Cl)Cl)CCl	109
+Oc1c(cc(Cl)cc1[N+](=O)[O-])C(c2cc(Cl)cc([N+](=O)[O-])c2O)Cl	1440
+Fc1cc(cc(F)c1CC(Cl)=O)Br	130
+c1c(OC(C)=O)c(C)c(C(Cl)=O)c(C)c1	82
+c1c(OC)c(OC)ccc1CCN(CCCl)C	221
+COc1cc(cc(OC)c1Cl)-c2cc(CCl)ccn2	109
+c1cccc(C2(Cl)c3c(ccc(c3)C#N)NC2=O)c1OC	8979
+c1c(OC)c(c(c(F)c1)F)CCl	109
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(n2)CCC(Cl)=O)Cl)OC	130
+c1c(c2c(c3n(nc(n3)CCl)c(n2)N)cc1)COC	2176
+c1c(cc(cc1)CCl)OC(C)C(OC)=O	109
+c1c(cc(C(Cl)=O)c(Cl)c1)Br	82
+c1c(ccc(-c2c(cno2)CCl)c1F)F	1703
+c1c(nc(c(C)c1)CCl)C#N	512
+c1cccc2C(=O)N(C(=O)c12)CC(=O)Cl	130
+c1c2C=C(C(=O)Cl)CCOc2ccc1	3019
+c1(oc2c(ccc(c2)O)n1)Cl	4645
+c1(ccc(C)nc1)CCl	447
+c1cc(cc([N+]([O-])=O)c1OCC)CCl	109
+c1cc(CCl)cc(c1OC)C#N	109
+c1cc(ncc1Br)CCl	512
+c1cc(Cl)c(c(Cl)c1OC(C)C(Cl)=O)C	130
+C(Cl)(=O)c1cc(ccc1[N+]([O-])=O)F	82
+COc1c(C(Cl)=O)c(ccc1)CCCCCCCCCCCCCCC	82
+c1cc(cc(c1OCC#C)OC)CCC(Cl)=O	130
+c1cc(ccc1)-c2c(F)cc(cc2)-c3nc(Cl)c4cc(c(cc4n3)OC)OC(C)=O	569
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Cl)=O)n2	82
+c1cc(ccc1)-c2ccc(c(C(Cl)=O)n2)C	1077
+c1cc(ccc1)-c2nc(c3CN(C)CCCn23)C(=O)Cl	8980
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CCl	109
+c1cc(ccc1)C(Nc2ccc(c3ccccc23)S(=O)(=O)Cl)=O	895
+c1cc(ccc1)C(Oc2cc(C(Cl)=O)ccc2OC)=O	82
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)SC=Cc4c(CCl)ncs4	8981
+c1ccccc1C2=C(CN(C(=O)C)CC2)CCl	8982
+c1cc(ccc1)C2=CN(CCCCl)C(=O)c3ccccc23	221
+c1cc(ccc1C(Cl)Cc2ccccc2)CCCC(=O)OC	525
+c1ccccc1COc2cc(OCc3ccccc3)c(C(Cl)=O)cc2Br	82
+c1ccccc1COc2c(ccc(OCc3ccccc3)c2)CCl	109
+c1cc(ccc1)Oc2c(c(NCCCCCCl)c(c(n2)C)C)[N+]([O-])=O	221
+c1cc(ccc1C(Cl)C)-c2ccc(cc2)Cl	525
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)Cl	8983
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)OCC(Cl)=O	130
+c1cc(ccc1CCl)-c2sc3c(nccc3Oc4ccc([N+]([O-])=O)cc4F)c2	109
+c1cc(ccc1-n2c(ncc2C(C)(C)c3ccc(Cl)c(Cl)c3)CCl)F	2176
+c1cc(ccc1C#Cc2cc(F)ccc2)C(=O)Cl	82
+c1cc(ccc1C#N)CC(NC2CCN(CC2)C(CCl)C)=O	221
+c1cc(ccc1C(=CC(=O)Cl)c2ccccc2)[N+](=O)[O-]	3020
+c1cc(ccc1CC(C)=O)C(=O)Cl	82
+c1cc(ccc1OC(=O)C)C(Cl)=O	82
+c1cc(ccc1C(Cl)=O)OCCCCCC	82
+c1cc(ccc1C(Cl)=O)Oc2cc(N3N=C(N(C3=O)C(F)F)C)c(F)cc2Cl	82
+c1cc(ccc1C(c2cnccc2)CCCCCl)F	221
+c1cc(ccc1-c2ccc(cc2)C(Cl)=O)OCCCCl	82
+c1cc(ccc1-c2ocnc2C)C(=O)Cl	82
+c1cc(ccc1C(=O)Cl)C2(SC(=NC(c3ccc(cc3)F)C)NC2=O)C	82
+c1cc(ccc1F)C(c2ccc(cc2)F)(C(=O)Cl)CCCBr	130
+c1cc(ccc1C(c2ccccc2)=O)C(Cl)=O	82
+c1cc(ccc1C=CC(Cl)=O)C	3020
+c1cc(ccc1C)S(=O)(=O)Oc2c(ccc(CCl)c2)OC	109
+C1CC(CCC1c2ccc(cc2)C(Cl)=O)CCC	82
+c1cc(ccc1C)C=C(C)CCl	8984
+c1cc(ccc1C=CCCl)C#Cc2ncc(cc2)-c3ccc(cc3)Cl	8985
+c1cc(ccc1C(Cl)=O)C=O	82
+c1cc(ccc1C(C)Cl)CC=C(C)C	525
+c1cc(ccc1CCC(=O)Cl)OCC=C	130
+c1cc(ccc1CCC)OC(C)C(Cl)=O	130
+c1cc(ccc1CCCCOCCCCBr)C(=O)Cl	82
+c1cc(ccc1CCCl)-n2c3c(c(C)cc(C)n3)nc2CC	221
+c1cc(ccc1CCS(=O)(=O)Cl)Br	1439
+c1cc(ccc1CN2C(C(=C(C(=C2)CCl)C(=O)OC)Cl)=O)OC	8986
+c1cc(ccc1CCl)-c2[nH]c3ncnc(NCc4ccc(nc4)OC)c3c2	109
+c1cc(ccc1CCl)-c2occ(n2)C(=O)OCC	109
+c1cc(ccc1CCl)Sc2c(O)nc(nc2C)N	109
+c1cc(ccc1Cc2c(C)nc(N)nc2NCCCCC)CCl	109
+c1cc(ccc1OCCCCl)Cc2c(NCCCCC)nc(N)nc2C	221
+c1cc(ccc1Cc2c(OCc3ccccc3)cccc2)CCl	109
+c1cc(ccc1Cl)-c2c(cncc2)CCl	447
+c1cc(ccc1Cl)-c2cncc(CCl)c2	447
+c1cc(ccc1-n2c(c(C(=O)Cl)cn2)C)Cl	3017
+c1cc(ccc1C(Cl)c2ccc3c(c2)c(cc(n3)O)-n4ccnc4)Cl	1440
+c1cc(ccc1Cl)C(Cl)c2ccccc2Cl	1440
+c1cc(ccc1Cn2nc(cc2-c3cc(C)c(Cl)cc3)C(Cl)=O)C	1077
+c1cc(ccc1F)-c2ccc(c(C)n2)CCl	447
+c1cc(ccc1F)C(=O)c2cncc(CCl)c2	447
+c1cc(ccc1I)-n2cc(nc2)CCl	3221
+c1cc(ccc1CC(Cl)=O)I	130
+c1ccccc1COc2ccc(cc2)N3C(CC(CCl)C3)=O	221
+c1cc(ccc1Nc2ncc(cn2)CCl)Cl	4644
+c1cc(ccc1OC(=O)C)C=C(C)C(Cl)=O	3019
+c1cc(ccc1C(Cl)=O)OCC#CC	82
+c1cc(ccc1C=O)OCC(Cl)c2ncc(cc2)CC	4646
+c1cc(ccc1OCC)CC(Cl)=O	130
+c1cc(ccc1OCCc2ncc(CCl)cc2)[N+]([O-])=O	447
+c1cc(ccc1OCc2csc(-c3ccccc3)n2)CCl	109
+c1cc(ccc1Oc2c(CCl)cc(cc2)C)C	109
+c1cc(ccc1S(=O)(=O)n2c3nccc(CCl)c3cc2-c4c5c(n(C)c4)cc(c(OC)c5)OC)C	109
+c1cc(ccc1SC)CC(Cl)=O	130
+c1cc(ccn1)OCCOc2cc3ncnc(Cl)c3cc2OC	569
+C1(Cl)CCOc2cc(ccc12)F	525
+c1cc2c(cc(cn2)C#N)cc1CCl	109
+c1ccc2c(C(=O)N(C2=O)C(C(=O)OC)(CC(Cl)=O)CF)c1	130
+c1ccc2c(c1)cc3c(cccc3)c2C(=O)Cl	82
+c1cccc2C=Cc3ccccc3C(c12)Cl	1440
+c1ccccc1-c2cn(-c3ccc4nc(c(cc4c3)Cc5ccccc5)Oc6c(C(Cl)C)cc(F)cc6)nn2	525
+c1cc(ccc1C(Cl)c2ccccc2)Cl	1440
+c1ccccc1C(c2ccccc2)=C(C#N)C(=O)Cl	3019
+c1ccccc1C2(c3ccccc3)C(N(CC)CC2CCCl)=O	221
+c1ccccc1CC(NCCc2c3c(ccc2)ccc(c3)C(=O)Cl)=O	82
+c1ccccc1CCN2C3CC(CC2CC3)=C(c4ccccc4)c5ccc(cc5)C(Cl)=O	82
+c1ccccc1CCOc2c(CCCCCl)cc(cc2)Cl	221
+c1ccccc1CCOc2c(cc(cc2)Cl)CCCCl	221
+c1ccccc1COC(NCCS(=O)(=O)Cl)=O	1439
+c1ccccc1COc2c(c(OC)cc(n2)C)CCl	447
+c1ccccc1COc2cc(F)cc(c2OC)CCl	109
+c1ccccc1COc2cc(F)c(cc2)C(Cl)=O	82
+c1ccccc1COc2cc3c(C(N(CC(C)C)C(=C3c4ccccc4F)CCl)=O)cc2	8987
+c1ccccc1COc2cc3C(=C(N(CC(C)C)C(c3cc2)=O)CCl)OCCCC	3750
+c1ccccc1COc2ccc(cc2)CCCCCCCS(=O)(=O)Cl	1439
+c1ccccc1COc2ccc(C(=O)Cl)cc2Cl	82
+c1ccccc1COc2ccc(CCl)cc2[N+]([O-])=O	109
+c1ccccc1COc2c(cccc2)CCl	109
+c1ccccc1OCCCCC(CCl)C	221
+c1ccccc1Oc2ccccc2Cn3nc(C(Cl)=O)cc3	1077
+c1ccccc1Oc2cc3C(C=C(C(=O)Cl)Oc3cc2NS(=O)(=O)C)=O	8988
+c1ccccc1Oc2cccc(Oc3ccccc3)c2C(Cl)=O	82
+c1ccccc1Sc2c(cc(Br)cc2)CCl	109
+c1cccn1-c2cc(ncc2)CCl	512
+c1n2c(nc1)ccc(CCl)n2	512
+c1nn(c2c1C(CCCl)CCC2)-c3cc(c(cc3)Cl)Cl	221
+c1c(ccc2n(c(nc12)CN(CCC)C(c3c(F)ccc(F)c3)=O)CCC)CCl	109
+n1[nH]c2c(C(N(C(=O)N2CCCl)CCCC)=O)c1NC	221
+n1c(Br)ccc(c1)C2N(c3c(Cl)cccc3)N=C(C2)C(=O)Cl	3586
+ClC(COc1nc(c(Cl)cc1Cl)F)=O	130
+n1c2c(n(CCCCCl)c1)cccc2	221
+n1onc2cc(C(=O)Cl)ccc12	82
+o1c(c(c2c1ccc(Br)c2OC)C)CCl	2240
+o1c2c(cc(cc2)C(=O)OC)c(c1CCl)C	2240
+s1c2cc(ccc2cc1CCl)Oc3sc4c(nccc4)n3	3016
+c1(C(=O)O)cncc(-c2sc(Cl)nc2)c1	8989
+c1(C=O)c(Cl)[nH]c(-c2cccnc2)n1	614
+c1(nc(-n2c3ccccc3nc2Cl)nc(Cl)n1)C	4647
+C1COC2(O1)CCN(CC2)c3nc4ccccc4[nH]3	2071
+c1cc(ccc1)C(c2ccccc2)(O)C3CCN(CC3)c4nc5c(cccc5)[nH]4	2071
+c12n(c(nc1cccc2)Cl)-c3ncnc(Cl)c3	4648
+c12ccccc1n(cc2C(=NO)C)-c3c(Cl)cc(C(=O)N)cc3	1375
+c1cc(ccc1)C(NC(=O)Nc2cc(Cl)c(c(COC)n2)C#N)C	2077
+N#Cc1cnc2c(ccs2)c1Cl	1014
+c1cc(ccc1)NCC(Nc2cccc(Cl)c2C(O)=O)=O	4649
+c1ccccc1CONC(=O)c2c(nc(Cl)c(F)c2)Cl	1546
+Clc1cc(c(-c2c(C(=O)OC)cncc2)cc1)F	699
+Clc1c(c(F)ccc1)C(C)CO	88
+c1ccccc1NC(=O)c2c(Cl)cccc2C	50
+FC(F)(F)C(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)(CNC(=O)c3c(cccc3F)Cl)O	93
+c1(c(ccnc1Cl)NC(=O)c2c(Cl)cccc2F)F	50
+c1cc(ccc1N=C(c2cc(Cl)c(C)cc2)N)S(=O)(=O)C	1748
+FC(F)C(=O)CC(c1ccc(C)c(Cl)c1)=O	2201
+S(c1[nH]c2c(n1)ccnc2)Cc3c(F)cccc3Cl	8990
+Clc1c(COc2cccnc2N)c(Cl)c(F)cc1	161
+c1cc(ccc1C2CC(N(CC(Oc3c(Cl)c(Cl)c(c(Cl)c3Cl)Cl)=O)C2)=O)Cl	2850
+NCCNc1c([N+](=O)[O-])cc(Cl)c(Cl)c1	205
+c1cc(ccc1)C(c2ccccc2)N3CCN(CC3)CCCNc4cc(Cl)c(cc4[N+]([O-])=O)Cl	53
+c12cc(Cl)c(Cl)cc1OCC(=O)N2	1290
+c1cnc(Cl)c(Cl)c1I	916
+c1cc(ccc1-c2c(cccn2)Cl)C(O)=O	140
+c1c(CCCO)c(F)c(Cl)cc1	213
+c1cc(ccc1OC)C(c2c(c(ccc2)Cl)F)=O	705
+O=Cc1cc(F)c(Cl)cc1O	502
+O=S(=O)(Nc1ncc(cc1)F)c2ccc(Oc3cc(Cl)c(F)nc3)c(C#N)c2	551
+O=S(=O)(c1c(ccc(NC(=O)Nc2c(cccc2)Cl)c1O)Cl)NCC	124
+c1cnccc1-c2c(-c3cccc(NC(=O)Nc4c(Cl)cccc4)c3)cn(CC)n2	124
+c1(I)c(OC)c(Cl)cc(c1)C(=O)OC	297
+c1cc(ccc1CN2C=C(C=C(Cl)C2=O)[N+](=O)[O-])OC	8991
+c1(cc(c(Cl)cc1Cl)OC)CC(O)=O	459
+OC(c1cc(Cl)c(SC)nc1)C	652
+Nc1cccc(Cl)c1SCCCCl	0
+Nc1c2c(ccc1Cl)nc(C)cc2	0
+Nc1c(Cl)ccc(C#N)c1	0
+FC(F)(F)CCCNc1ccc(cc1[N+](=O)[O-])C#N	205
+c1cc(ccc1)-c2c([N+](=O)[O-])cc(C#N)cc2	667
+c1cc(ccc1Nc2sc(C(c3ccc(c([N+]([O-])=O)c3)Cl)=O)c(N)n2)N4CCN(CC4)C	4652
+Clc1c([N+]([O-])=O)cc(C)c(c1)C(=O)O	4653
+Nc1cc(OCC(OC)=O)ccc1Cl	0
+c1(Cl)cc(NC(c2ccc(c(Cl)c2)Cl)=O)c(cc1N)O	0
+Nc1c(Cl)cc(O)c(F)c1	0
+c1([N+]([O-])=O)cc(ccc1NC)C(=O)OC	205
+COc1cc(c(F)cc1)-c2c([N+]([O-])=O)cc(cc2)C(=O)OC	667
+c1cc(ccc1Br)C(C)Oc2ccc(c(c2)[N+]([O-])=O)Cl	8992
+Nc1cc2CN(C(c2cc1Cl)=O)C	0
+c1(I)c(nccc1Cl)NN	383
+FC(F)(F)c1c(Cl)nccc1OCC(c2c(cccc2Cl)F)C	260
+FC(F)(F)CCN1CC(N(Cc2c(cccc2F)Cl)c3ccc(C#N)c(c3)Cl)CC1	507
+Brc1nc2c(C(N(C(=O)N2C)C)=O)n1Cc3c(F)cccc3Cl	371
+c1ccccc1-c2c(c([N+]([O-])=O)ccc2)F	667
+C(c1cccc(Cl)c1C)(=O)OC	4654
+c1c2c(CCC(C)N2)c(c(Cl)c1)Cl	2648
+Nc1c2cc(C)n(C(=O)OC)c2ccc1Cl	0
+O=Cc1cc(-n2nccc2)ccc1Cl	760
+C1CC1c2c(nc(c(C#N)c2)Cl)Cl	8993
+Ic1c(C#N)c(Cl)nc(Cl)c1F	916
+c1(nc(C)ccc1C(=O)O)N	664
+c1(C(NCC(CC)O)=O)ccc(C)nc1Cl	56
+FC(F)(F)S(=O)(=O)Nc1ccc(cc1Oc2c(Cl)cc(cc2)Cl)Cl	1422
+c1c(-c2ccc(cc2Cl)O)c(ccc1)F	11
+c1nc(ncc1COC)N2CCC(CC2)C3C(CCOc4ccc(c(Cl)c4)Br)C3	20
+C(O)c1ccc(O)cc1Cl	49
+c1([N+]([O-])=O)ccc(Cl)c(c1)CC(=O)O	77
+Clc1cc(ccc1)Nc2nccc(-c3cccnc3Cl)n2	55
+FC(F)(F)c1c(cc(cc1)C(=O)OCC)Nc2c(-c3ccncn3)cccn2	201
+FC(F)(F)Oc1cc(c(O)cc1)NC(=O)c2c(cncc2)Cl	67
+c1cc(ncc1CO)NCc2ccncc2Cl	295
+O(c1c(c(cc(c1OC)OC)C)C(c2c(c(Br)cnc2OC)Cl)=O)C	814
+c1cccc2CCc3ccncc3C(NC(NNc4c(cc(C(O)=O)cn4)Cl)=S)c12	8994
+O=S(=O)(C)OCC1Cc2cccc(Cl)c2O1	7
+C(c1c2cccc(Cl)c2oc1)C#N	8995
+c1cc(ccc1)Oc2cc(C)nc3C(CCCc23)O	242
+c1(ccc(Cl)c(-c2ncnc3c(Cl)cccc23)c1)OC	198
+Clc1c2CCNCCc2cc3c1NC(=O)CC3	215
+[N-]=[N+]=Nc1cc(nc2c(ccc(F)c12)F)C	1756
+c12CCNCCc1cccc2Cl	2436
+O=S(=O)(C)c1ccc(cc1)Oc2cc(-c3c4c(c(N)n[nH]4)ccc3)nc5n(ncc25)C	8996
+c1c(c(cc(c1)CNc2c3ccccc3nc4CN(C(=O)c24)CC)Cl)OC	105
+C(c1cc(Cl)c2c(nccc2)c1N3CC(CC3)F)(N)C	474
+C(c1cc(Cl)c2c(nccc2)c1N3CC(CC3)O)(N)C	474
+Clc1c2c(nccc2)c(c(C(=O)C)c1)N3CC(CC3)O	1024
+c1ccccc1Nc2c3c([nH]c4CCNCc34)ncc2	698
+c1(cc2ncc(c(Nc3cccc(c3)N)c2cc1OC)C#N)OC	179
+c1cc(ccc1)S(=O)(=O)n2ccc3c2ncc(c3Cl)Br	276
+C1(=CC(C(=O)OC)=C(c2cc(F)ccc2)[N+](C1=C=[N-])=O)Cl	8997
+FC(F)(F)Oc1cc(cc(-c2n(nc(C(=O)N3CNC(=O)C3)c2)-c4cncc(c4)Cl)c1)Br	8998
+FC(F)(F)Oc1cc(cc(c1)Br)-c2cc(C(O)=O)nn2-c3cncc(c3)Cl	8999
+Clc1cc(-c2cc3[nH]c(NC(c4nc5cccc(Cl)n5c4)=O)nc3cc2)cc(c1)F	4021
+Clc1cccc(-c2sc(cc2Br)C(=O)OCC)c1	1191
+Clc1cc(c(N)c(N)c1)Br	0
+Clc1cc(Br)c(OC)c(N)c1	0
+Clc1cc(c(cc1)CC[N+](=O)[O-])Br	364
+FC(F)Oc1c(Br)cc(Cl)cc1	824
+N#Cc1c(Br)cc(Cl)cn1	942
+Clc1cc(c2[nH]ccc2c1)C(=O)O	9000
+c1(cc(c(c(Cl)c1)Cl)Br)OC	9001
+Clc1cc(Br)cc(OCC(CNC)O)c1	122
+Clc1cc(Br)cc(Oc2c3c[nH]nc3ccc2Cl)c1	9002
+Clc1cc(Br)cc(Oc2c3c([nH]cn3)ccc2Cl)c1	631
+Clc1cc(Br)cc(Oc2c(Cl)ccc(N)c2N)c1	0
+Clc1cc(Br)cc(Oc2c(N)c(OC)ncc2COCC)c1	382
+Clc1cc(C#N)cc(Oc2c(N)c(OC)ncc2CO)c1	160
+Clc1cc(Br)cc(Oc2c(N)c(OC)ncc2CO)c1	665
+Clc1cc(Br)cc(Oc2c(ccnc2O)C)c1	3021
+Clc1cc(Br)cc(Oc2c(ccnc2NN)C)c1	383
+Clc1cc(C#N)cc(Oc2c3c([nH]cn3)ccc2Cl)c1	160
+Clc1cc(C#N)cc(Oc2c3c[nH]nc3ccc2Cl)c1	160
+c1cc(ccc1CNc2c([N+](=O)[O-])cnc(Br)c2)OC	105
+Clc1cc(c(cc1)-n2ncnc2)C#N	9003
+n1(-c2cc(C#N)c(cc2)[N+]([O-])=O)ccnc1	2067
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(CN)c2F)c1	1551
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(c2F)CNC(c3cc4c(c(C)ccc4)[nH]3)=O)c1	81
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(c2F)CNC(c3cc4cc(ccc4[nH]3)OCCSC)=O)c1	81
+Clc1cc(C#N)cc(Oc2c(c(C)ccc2N)F)c1	0
+Clc1cc(C#N)cc(Oc2c3c(Cl)n[nH]c3ccc2Cl)c1	2209
+Clc1cc(C#N)cc(c1)OC2=C(C)C=CN(CCc3n[nH]c4ncccc34)C2=O	1002
+Clc1cc(ccc1-n2cc(C(C)=O)c3ccccc23)C#N	1995
+c1c(c(Nc2cc(C#N)ccc2[N+]([O-])=O)ccc1F)F	1370
+c1c(C#N)c(Cl)cc(C(=O)C)c1O	160
+c1(I)c(c(C(=O)C)cc(Cl)c1C)O	235
+Clc1cc(CO)cc(OC)c1	49
+Clc1cc(C(=O)OC)c(c(N)c1)C	0
+Clc1ccc(-c2nc(C)no2)c(CO)c1	98
+c1cc(ccc1CC2(C(C)(C)CN(CC2)CCCOc3c(cc(cc3)Cl)C(OC)=O)O)Cl	28
+FC(F)(F)S(=O)(=O)Nc1c(cc(cc1)Cl)C(=O)CC	1422
+Clc1cc(C(CC)=O)c(N)cc1	0
+c1(cc(Cl)c(cc1)C#N)C(NC(=O)c2cc(n3CCOCc23)C(=O)N4C(C)CCC4)CC	56
+Clc1ccc(OC)c(-c2oc(nc2)CCCCC(OC)=O)c1	4657
+FC(F)(F)c1cc(-c2ncc(nc2)NC(c3c(ccc(Cl)c3)[N+](=O)[O-])=O)ccc1	1542
+O=S(=O)(CC)NC1c2cc(Cl)cc(C)c2OCCC1	111
+Clc1cc(C2CC(c3cc(ccc3O2)O)O)ccc1	74
+Clc1cc(ccc1)C2Oc3c(CC2)cc(cc3)O	414
+O=S(=O)(C)N1c2c(C(c3cccc(Cl)c3)C1)cccc2	1632
+c1ccc2ccc(nc2c1)COCCCCOCc3cc(cc(C)c3OCC#N)Cl	149
+Clc1cc(cc(CC#N)c1)O	5
+C(c1cc(Cl)cc(I)c1O)n2nc(cc2C)C(=O)OCC	2202
+C1CC(CCC1Nc2cc(Cl)cc[n+]2[O-])NCc3ccccc3	1911
+c1cc(ccc1)CNC2CCC(CC2)CNc3[n+]([O-])cc(C)c(Cl)c3	1911
+Clc1cc(Cl)c(N2CCCn3c4c(CO)ccc(Cl)c4nc23)cc1	295
+Clc1cc(Cl)c(N2CCCn3c4c(c(Cl)ccc4C=O)nc23)cc1	200
+FC(F)(F)C(O)c1c2c(nc3N(CCCn23)c4c(Cl)cc(Cl)cc4)c(cc1)Cl	4658
+Clc1cc(N)c(OC)c(Cl)c1	0
+O=S(=O)(C)NC1C(CCCC1)N2C(c3c(cccc3)C(C(=O)OCC)C2c4ccc(cc4Cl)Cl)=O	111
+[N+](=[N-])=Nc1cc(Cl)nc(C(=O)OC)c1Br	1756
+Clc1cc(Cl)[n+](cc1)[O-]	103
+Clc1c(c(Cl)ncc1)I	625
+c1(ccnc(c1)Cl)Oc2cc(F)c(N)cc2	242
+c1(c(c(c(cc1)Oc2ccnc(c2)Cl)F)F)N	242
+Fc1cc(cc(F)c1Oc2cc(ncc2)Cl)N	242
+c1ccccc1-c2cc(Cl)ccn2	140
+c1cc(ccc1Oc2ccc(cc2)CN(c3cccc([N+](=O)[O-])c3C)Cc4ccc(cc4F)Cl)CCC(OC)=O	507
+Clc1cc(c(cc1)C2=CC(=O)n3c(N2)c(cn3)-c4ncccc4)F	1915
+c1c(ccc(F)c1Cl)NC=O	9004
+c1cc(ccc1C(C)C(=O)Nc2c(C(=O)OC)c(cc(Cl)c2)Cl)[N+]([O-])=O	33
+Clc1cc(N)c(cc1)C=O	39
+Clc1ccc2c(NC(N2C3CC(C)N(CC3)C(=O)OC)=O)c1	1595
+Clc1cc(N)c(CO)cc1	49
+Clc1ccc2c(c1)nc(nc2)O	4660
+FC(F)(F)c1nn(c2c1CCN(C(OC(C)(C)C)=O)C2)CC(Nc3c(OC)ccc(Cl)c3)=O	33
+O=S(=O)(Nc1c(ccc(c1)Cl)SCc2cn(cn2)CCC)c3oc4c(c3)cccc4	2686
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3cc(c(cc3)[N+]([O-])=O)N	202
+Nc1c(cc(I)c(Cl)c1)[N+]([O-])=O	235
+Nc1cc(SC)ccc1[N+]([O-])=O	972
+c1(NC(C)=O)cc(Cl)c(cc1C(=O)OC)[N+]([O-])=O	31
+c1c(NC(C)=O)cc(C)c(C(=O)C)c1Cl	94
+c1(cc(Cl)cc(c1NC(c2n(-c3c(Cl)cccn3)nc(Br)c2)=O)Cl)NC(=O)OC	187
+Clc1cc(NC(OC)=O)c(N)c(Cl)c1	0
+Clc1cc(Nc2c(c(n[nH]2)N)C(=O)N)ccc1	9005
+FC(F)Oc1c(cc(cc1)CNc2n[nH]c(Nc3cccc(Cl)c3)c2C#N)O	811
+Clc1cccc(Nc2c(c([nH]n2)N=Cc3cccc(OCCO)c3)C(N)=O)c1	4661
+n1cccnc1Oc2ccc(cc2)CNc3[nH]nc(c3C(=O)N)Nc4cccc(c4)Cl	811
+c1ccccc1COc2c(c(Cl)cc(Cl)c2)C=O	22
+Clc1cc(c(CO)cc1)O	49
+O=S(=O)(Oc1cc(cc(c1)OC)Cl)C	444
+c1c(I)cc(c(Nc2c([N+]([O-])=O)cnc(O)c2)c1)F	179
+Clc1cc(OC(CCCI)c2cccs2)c(Cl)cc1	363
+c1cc(ccc1C(NCCc2c(cc(Cl)cc2OC)Cl)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	14
+Clc1cc(OC)c(c(Cl)c1)CCN	157
+c1(cc2c(cc1F)[nH]c(-c3ccc(cc3OC)Cl)n2)F	1127
+Clc1cc(c(CCC#N)cc1)OC	9006
+c1(c(cc(I)c(Cl)c1)[N+]([O-])=O)OC	235
+FC(F)(F)C1CCCN(C1)c2c(cc([N+](=O)[O-])c(c2)NC)Cl	202
+FC(F)(F)C1CCN(CC1)c2cc(c([N+](=O)[O-])cc2Cl)NC	202
+Clc1cc(N)cc(C)c1	0
+Clc1cc(c(-c2c(cncc2)C(=O)O)cc1)F	1
+Clc1cc2c(-c3c(cncc3)C(=O)N2C)cc1	9007
+Clc1cc(c(-c2c(C(NC)=O)cncc2)cc1)F	56
+Nc1cc(Cl)c(C)cc1Br	106
+C(c1c(c(C(=O)OC)ccc1Cl)O)C=C	423
+O=S(=O)(Cc1c2[nH]cc(C(c3c(F)cc(Cl)cc3)C4CC4C#N)c2ccc1)C	2523
+Clc1cc(c(c([N+]([O-])=O)c1)C)C(=O)O	31
+Clc1cc(OC)c(cc1)-c2cc(ncc2)O	9008
+Clc1cc(c(C2CC(=O)NC(=C2C(=O)O)C)cc1)F	127
+Clc1cc(c(C2CC(=O)NC(=C2C(Nc3cc(Cl)c4n[nH]cc4c3)=O)C)cc1)F	4662
+Clc1cc(OC)c(c(Cl)c1)CC[N+](=O)[O-]	364
+Clc1cc(c(C=C[N+]([O-])=O)c(Cl)c1)OC	417
+O=S(=O)(c1cc(c(cc1)Oc2c(ccc(Cl)c2)CCC#N)Cl)C	46
+Clc1cc(c(CCC#N)cc1)O	5
+c1ccccc1COc2cc(Cl)ccc2CO	22
+Clc1cc(c(cc1)COc2ccnn2-c3nccc(C#N)c3)OC(CC)C	4663
+Clc1cc(OCCC)c(cc1)COc2ccnn2-c3nccc(C#N)c3	4663
+Clc1cc(OC(CCCCl)c2cccs2)c(Cl)cc1	20
+n1cc(cnc1N2CCC(CC2)Oc3cc(ccc3Cl)Cl)-c4nn(nn4)CC(OCC)=O	20
+Clc1ccc(I)c(CO)c1	49
+c12c(cc(Cl)cc1C(OC(=N2)c3cc(Br)nn3-c4c(Cl)cccc4)=O)Cl	4656
+Clc1cc(c2c([nH]cn2)c1)Br	631
+Clc1cc(c(N)cc1)C(=O)c2ccccn2	9009
+O=S(=O)(Nc1c(C(OC)=O)cc(cc1)Cl)c2cccc3nsnc23	4664
+O=S(=O)(Nc1c(cc(Cl)cc1)C(=O)c2ccccn2)c3ccc(cc3)OC	69
+c1cc(ccc1S(=O)(=O)Nc2c(cc(Cl)cc2)C(=O)c3ccccn3)C4(CCOCC4)C	69
+c1cc(ccc1S(=O)(=O)C)S(=O)(=O)Nc2c(C(c3cnccc3)=O)cc(cc2)Cl	69
+c1cc(ccc1-c2cnc(C)o2)S(=O)(=O)Nc3c(C(=O)c4ccc(nc4)C)cc(cc3)Cl	69
+O=C1c2ccccc2C(=O)N1c3c(F)cc(cc3)Cl	668
+Clc1cc(Oc2ccc([N+]([O-])=O)cc2Cl)c(N)cc1	46
+[N+]([O-])(=O)c1c(c(Cl)c(Cl)c(Cl)c1)N	196
+c1c(c(N)cc(c1Cl)Sc2cc(C)ccc2)[N+]([O-])=O	825
+Clc1cc2c(O)nc(CCC)nc2cc1	1677
+Clc1cc(c(NCC(OCC)=O)cc1)Oc2ccc(N)cc2Cl	0
+Clc1cc(c(Nc2c3c(cc(OCCCC(=O)O)c(OC)c3)ncn2)cc1)F	3
+Clc1cc(N)c(O)c(CCc2ncccc2)c1	0
+Clc1cc([N+](=O)[O-])c(NC)cc1Cl	60
+Clc1cc(c(c(CO)c1)Cl)OC	98
+Clc1cc(c(Cl)c(CC#N)c1)OC	163
+c12c(ncnc1nc[nH]2)NC(C)c3c(c([N+]([O-])=O)c(c(Cl)c3)C)-c4cc(F)ccc4	2042
+Clc1cc(c(cc1)-c2cc(N)c(cc2)CC)F	0
+Clc1ccc(-n2ncnc2)c(CN)c1	107
+Clc1ccc(-n2ncnc2)c(CO)c1	611
+Clc1cc(OC)c(cc1)C=CC#N	858
+c1cc(ccc1C(=O)c2c(cc(OC)c(Br)c2)Cl)CC	358
+Clc1ccc2c(nc3c(c2N)C(CCC3)=O)c1	9010
+Clc1cc(c(cc1)C(N)=S)OC	581
+Clc1cc(c(cc1)C(=O)OCC)Br	9011
+c1ccccc1Nc2c(C(O)=O)ccc(Cl)c2	230
+Clc1ccc(C(=O)O)c(Nc2ccccc2Cl)c1	230
+Clc1cc(c(cc1)C(=O)N)F	169
+O1C(=O)C(C(OC1(C)C)=O)C(c2ccc(Cl)cc2F)=O	3548
+c1cc(ccc1)NCC(Nc2c(ccc(Cl)c2)C(=O)O)=O	4649
+c1ccccc1COc2c(-c3c(-c4c(C(=O)OCC)c(cc(Cl)c4)Br)cccc3)cccc2	3022
+Clc1cc(c(C(C2CC2C#N)O)cc1)F	74
+Cc1nc(sc1C(=O)OCC)-c2ccc(Cl)cc2OC	2242
+c1cc(ccc1)C=Cc2cc(ccc2C3CNC(C3)=O)Cl	722
+c1ccccc1C(=O)c2cc(ccc2C3CNC(=O)C3)Cl	2227
+c1cc(ccc1Oc2c(cc3c(OCCC3C(OCC)=O)c2)Cl)C(=O)NCCc4ccc(Cl)cc4Br	14
+Clc1cc(c(cc1)CCN)Br	157
+c1cc(ccc1)[Si](c2ccccc2)(OCC(C)(C)CNc3c(C(O)c4cccc5ccccc45)cc(cc3)Cl)C(C)(C)C	291
+Clc1cc(c(cc1)Nc2n(c3c(ccc(c3n2)Cl)C(OC)=O)CCCO)Cl	3023
+Clc1cc(Cl)c(N2CCCn3c2nc4c(ccc(c34)C(OC)=O)Cl)cc1	2393
+Clc1cc(c(cc1)O)C(=NNC(c2cc(Br)c(Cl)cc2)=O)C	2085
+c1ccccc1COc2c(cc(Cl)cc2)C(C)=O	22
+Clc1ccc(c(OC)c1)Oc2c(Br)cc(C#N)cc2	46
+c1cc(c(COc2c(cc(cc2)Cl)OC)c(F)c1F)OC	139
+Clc1cc(C(CNC(=O)CCCCC(OC)=O)=O)c(cc1)OC	612
+c1c(c(F)c(C(=O)O)c(Cl)c1)OC	634
+c1cc(ccc1)CSCc2c(ccc(Cl)c2)Oc3c(ccc(CC(=O)OCC)c3)OC	639
+Clc1ccc(c(CO)c1)Sc2cccs2	49
+c1cc(ccc1)CN2CCN(CC2)c3cc(C(O)=O)c(cc3)[N+](=O)[O-]	202
+FC(F)(F)c1nn(-c2ncccc2Cl)c(C3=Nc4c(C(=O)O3)cc(Cl)cc4Br)c1	9012
+FC(F)C=1N=CN(Cc2ccc(cc2)OC)C(=O)C=1Oc3cc(cc(Cl)c3)C#N	9013
+Clc1cc(cc(CC#N)c1)Br	163
+Clc1cc(cc(c1)COc2cccnc2)Br	483
+C(c1cc(cc(Cl)c1)Br)C(=O)O	9014
+Clc1cc(cc(Cl)c1)-c2[nH]ncc2Cl	697
+Clc1cc(cc(Cl)c1)-c2cn(CC(O)=O)cc2C#N	4
+c1c(Cl)cc(cc1C(C)(C)C(=O)O)Cl	4
+Clc1cc(cc(Cl)c1)C(C)(C)C(=O)N(C)c2cnc(N3C(CO)CC(C3)O)cc2-c4c(Cl)cccc4	43
+Clc1cc(cc(Cl)c1)-c2ccn[nH]2	927
+Clc1cc(cc(Cl)c1)C=2CC(C(=O)O)(ON=2)CO	3
+c1(Cl)cc(cc(Cl)c1)-c2c[nH]cc2C#N	9015
+c1c(Cl)cc(cc1CCC(=O)O)Cl	159
+Clc1cc(cc(Cl)c1)C=CC#N	2368
+c1c(Cl)cc(cc1C=NO)Cl	135
+c1c(Cl)cc(cc1CNc2ccc3c(c(Cl)nnc3O)c2)Cl	250
+C1CN(CCC1CC(NCCc2cn(nn2)Cc3ccccc3)=O)C(OCc4cc(Cl)cc(Cl)c4)=O	9
+C1CC(CCN1C(OCc2cc(Cl)cc(Cl)c2)=O)NC(=O)CCCc3cnn[nH]3	9
+Clc1cc(cc(Cl)c1)Sc2nc3ncnc(N)c3[nH]2	4666
+Clc1cc(cc(Cl)c1)N2C(NC(=O)C(N)=C2N)=S	721
+c1c(Cl)cc(cc1N2c3c(nc[nH]3)C(NC2=S)=O)Cl	2725
+c1cc(ccc1-c2cc(ccc2)C#N)C3(CCN(CC3)CC4CC4)CN(C)C(Nc5cc(Cl)cc(c5)Cl)=O	134
+Clc1cc(cc(Cl)c1-n2nc3c(c(Cl)ncc3F)c2)[N+]([O-])=O	174
+c1(Cl)cc(cc(Cl)c1-n2nc3c(c(Nc4ncnc(c4)C)ncc3F)c2)[N+]([O-])=O	9016
+c1c(Cl)c(c(cc1Nc2nnc([nH]2)OC)Cl)Br	9017
+c1c(Cl)c(c(cc1Nc2nnc(N)[nH]2)Cl)C#N	3024
+c1c(Cl)c(c(cc1N2N=CC(NC2=O)=O)Cl)C(C(c3ccccc3)=O)c4ccc(cc4)Cl	94
+Clc1cc(cc(Cl)c1C(=O)Nc2cc(Cl)ncc2F)Cl	50
+Clc1cc(cc(Cl)c1C)N	0
+c1c(Cl)c(c(cc1N)Cl)C2CC2	0
+Clc1cc(cc(Cl)c1CCC(N(OC)C(c2cn(nc2C(F)F)C)=O)C)Cl	3025
+Clc1cc(cc(Cl)c1CCCC(C)=O)Cl	9018
+c1(cc(cc(Cl)c1CCCC(C)N)Cl)Cl	316
+C1CCCCC1C2C(N(Cc3c(cc(cc3Cl)O)Cl)CC2)=O	5
+C1CC2(CCC1)C(N(Cc3c(cc(cc3Cl)O)Cl)CC2)=O	16
+c1c(Cl)c(c(cc1CN=[N+]=[N-])Cl)Cl	925
+c1(Cl)cc(cc(Cl)c1Sc2nc3c(ccc(C#N)c3)s2)[N+]([O-])=O	9019
+c1(Cl)cc(cc(Cl)c1Sc2ccc3ccccc3c2)[N+](=O)[O-]	825
+Clc1cc(cc(Cl)c1Oc2cnc3c(C(=O)OC)cccc3c2)[N+](=O)[O-]	9020
+c1(cc(cc(Cl)c1N=Cc2c(c(Cl)cnc2)N=[N+]=[N-])C#N)Cl	3026
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+c1(cc(cc(Cl)c1-n2nc3ccncc3c2)F)Cl	3027
+Clc1cc(cc(Cl)c1Nc2nc3ccc(Br)cc3c4c2ccnc4O)-c5ccn[nH]5	104
+Clc1cc(cc(Cl)c1Nc2nc3ccncc3c4c2ccnc4O)C(C)(C)O	1033
+Clc1cc(cc(Cl)c1Nc2nc3cc[n+](cc3c4c(nccc24)O)[O-])C(C)(C)O	103
+c1c(Cl)c(c(cc1C)Cl)Oc2ccc(cc2)[N+]([O-])=O	46
+FC(F)(F)CCOc1c(cc(cc1Cl)F)Cl	8
+Clc1cc(cc(Cl)c1OCCCCOCC=O)OCC=C(Cl)Cl	598
+Clc1cc(cc(Cl)c1Oc2cc(c(cc2)O)C=O)N3C(=O)NC(C=N3)=O	5
+CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)CC(O)=O)nnc1O	3028
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+Clc1cc(cc(Cl)c1Oc2ccc(c(NS(=O)(=O)c3ccc(cc3)F)c2)O)N4C(=O)NC(C=N4)=O	5
+Clc1cc(cc(Cl)c1Oc2ccc(c(c2)N)OC)N3C(=O)NC(C=N3)=O	0
+Clc1cc(cc(Cl)c1Oc2ccc(c(NS(=O)(=O)c3ccc(cc3)F)c2)OC)N4C(=O)NC(C=N4)=O	69
+c1c(Cl)c(c(cc1N)Cl)Oc2cnc3c(C(=O)OC)cccc3c2	0
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+FC(F)(F)c1cc(c(cc1)S(=O)(=O)Nc2cc(Cl)c(c(c2)Cl)Sc3ccc4ccccc4c3)Cl	69
+c1c(Cl)nc(cc1C(N(OC)C)=O)Cl	280
+c1c(Cl)nc(cc1C(=O)N2CCOc3ccncc23)Cl	3002
+FC(F)(F)Oc1ccc(cc1)Nc2cc(N3CCCC3)cc(n2)Cl	201
+Clc1cc(CC#N)cc(OC)c1	177
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+Clc1cc(cc(Oc2ccc([N+]([O-])=O)cc2C=O)c1)CC(OC)=O	46
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+c1ncncc1Oc2cc(Br)cc(c2)Cl	3029
+Clc1cc(cc2cccnc12)C=C	2225
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+Clc1cc(ccc1)C2Oc3c(cc(Oc4ncc([N+]([O-])=O)cc4)cc3)CC2	9023
+Clc1cc(ccc1)C2c3cc(OC)ccc3C(CC2)=O	1720
+Clc1cc(ccc1)C2c3c(C(CC2)=O)ccc(c3)O	5
+Clc1cc(ccc1)NC(=O)N2Cc3c(CC2)[nH]nc3C(N(O)C)=O	1006
+Clc1cc(ccc1)NC(=O)N2Cc3c(CC2)[nH]nc3C(=O)O	6
+Clc1cc(ccc1)Nc2nccs2	3030
+Clc1cc(ccc1)NCCCN	51
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+Clc1cc(ccc1)Nc2nc(-c3cc(C(NO)=N)ncc3)ncn2	958
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+Clc1cc(ccc1)Nc2ncc(c3n(ccc23)C)C(=O)O	1
+Clc1cc(ccc1)Nc2ncc(c3c2ccn3CC)C(=O)O	6
+Clc1cc(ccc1)Nc2ncc(c3c2ncn3C)C(=O)O	6
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+Clc1cccc(Nc2ncnc3c2c(N=Cc4cccc(-c5nn(C)nn5)c4)[nH]n3)c1	4661
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+Clc1cccc(Oc2cncc(Cl)n2)c1	842
+C1CC(CCN1Cc2ccccc2)NC(COc3cccc(Cl)c3)=O	648
+Clc1c(-n2cc(C(C)=O)c3ccccc23)ccc(C(=O)N)c1	216
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3ccc(C)c(Cl)c3)C1	1757
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+Clc1cc2C(CCCN(C(c3cnc(cc3)NC(c4c(cccc4)Cl)=O)=O)c2cc1)CCOC	21
+O=S(=O)(C)OCCC1CCCN(c2ccc(Cl)cc12)C(c3cnc(cc3)NC(c4ccccc4Cl)=O)=O	7
+Clc1cc2C(CCCN(C(c3cnc(cc3)NC(c4c(cccc4)Cl)=O)=O)c2cc1)CCO	88
+Clc1cc(C)c2OCCCC(N)c2c1	474
+Clc1cc2c(cc1)C(CO)CC2	2938
+Clc1cc2CCC(=C)c2cc1	2748
+Clc1cc2CCC3(CNCC3)c2cc1	9025
+Clc1cc2CCC3=C(CCCN3)c2cc1	9026
+c1cc(ccc1C(N2CCCC=3c4ccc(Cl)cc4CCC2=3)=O)OC	9027
+Clc1cc2c(SC(=O)N2CC(N(C)Cc3nc4c([nH]3)cccc4)=O)cc1	10
+Clc1cc2N(CCOc2c(c1)C(=O)O)C	1
+Clc1cc2c(-c3cc[n+](cc3C(=O)N2C)[O-])cc1	103
+Clc1cc2c(Cl)cc(nc2cc1)N3Cc4ccc(Br)cc4CCC3	286
+Clc1cc2c(NCCN)cc(nc2cc1)N3Cc4ccc(Br)cc4CCC3	105
+Clc1cc2c(cc1)scc2CBr	9028
+Clc1cc2c3c(cnc2cc1)ncn3C	9029
+Clc1cc2c(c([N+]([O-])=O)cnc2cc1)NC	105
+Clc1cc2c(c(N)cnc2cc1)NC	13
+Clc1cc2c(cc1)c(NCCCN)c3c(CCCC3)n2	105
+c1cc(ccc1Nc2c(C(OCC)=O)cnc3ccc(Cl)cc23)Cc4ccccc4	179
+c1cc(ccc1Cl)CSCC(c2c(C)c3c(s2)ccc(c3)Cl)=O	9030
+c1c2c(cc(c1)Cl)c(c[nH]2)CCNC(=O)c3noc(Cc4cccc(Cl)c4)n3	1506
+Clc1cc2c(CCNC(=O)c3noc(n3)Cc4ccccc4C)c[nH]c2cc1	1506
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CC(O)=O)C3=O	4
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCO)C3=O	21
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCSC)C3=O	1105
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCCl)C3=O	9031
+Clc1cc2c(cc1)c(NCCCNC3CCc4c(ccc(n4)O)C3)c5c(CCCC5)n2	87
+Clc1cc2c(cc1)cc(nc2O)C(=O)N	314
+c1cc(ccc1)CN2CCN(CC2)c3c4cc(Cl)ccc4ccn3	43
+Clc1cc2c(cc1)nc(O)c(C(C=Cc3c(cncc3C)F)=O)c2-c4cnccc4	307
+Clc1cc2c(nc(cc2Br)NCc3c(cccc3)OC)cc1	811
+C(c1sc2c(cc(Cl)cc2)c1CC)(=O)C	2940
+Clc1cc2c(ccnc2cc1)C=NNC=3N=C(N)N(C(=O)C=3)C	3748
+Clc1cc2c(n[nH]c2cc1)CO	9032
+Clc1cc2c([nH]nc2C=O)cc1	178
+Clc1ccc2c(c(-c3cccnc3)cc(n2)NCc4c(cccc4)OC)c1	9033
+Clc1cc2c(nc(nc2NN)Cl)cc1	1021
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)NC(COc4noc5ccc(cc45)Cl)CO	9034
+Clc1cc2c3C(=NNC(=N)N)CCCc3[nH]c2cc1	9035
+c1c2c(ccc1Cl)n3c4c(nc3c5c2nc(cc5)C)cccc4	9036
+c1cc(ccc1-c2ccn3c(ncc3)c2)F	3032
+Ic1[nH]nc2c1c(C)nc(Cl)c2	4667
+c1cc(ccc1)-c2nccc(-c3n4ccc(Cl)cc4nc3)c2	140
+c1cc(ccc1)-c2nc(NC)cc(-c3cnc4n3ccc(Cl)c4)c2	140
+Clc1cc2sc(NN)nc2cc1	9037
+c1cc(ccc1)C2=CC(N(c3sc4c(n3)ccc(Cl)c4)N2)=O	1916
+Clc1ccc(c(F)c1)-c2ccccc2C(C)N	474
+Clc1ccc(c(C=O)c1)-c2nc(C)no2	39
+Clc1ccc(c(CC#N)c1)-n2ncnc2	163
+Clc1ccc(Br)c(c1C(=O)N)F	2681
+Clc1ccc(c(Cl)c1)CCCCO	213
+c1cc(ccc1)C(N)c2ccc(Cl)cc2C	9038
+Clc1ccc(C(=O)N(C)OC)c(Nc2ccccc2Cl)c1	280
+C1(=O)c2c(Oc3c(C)cccc13)cc(Cl)cc2	358
+c1(OC)ccc(-c2cc(c(cc2)C(OC)=O)[N+]([O-])=O)cc1F	667
+Clc1ccc(c(Cl)c1)C(=O)N2Cc3ncc(Cl)n3CC2	115
+Clc1ccc(c(Cl)c1)-c2nc3c(cccc3C(=O)OC)o2	2453
+C1CN(CCC1)C2(CC(C2)COCc3ccccc3)CNC(=O)c4c(Cl)cc(cc4)Cl	93
+c1cc(ccc1F)C(c2ccc(cc2Cl)Cl)=O	222
+FC(F)(F)S(=O)(=O)Oc1ccc(c(c1)NC(C)c2c(Cl)cc(cc2)Cl)Cl	166
+Clc1ccc(C)c(-c2c(C(=O)O)cc(-c3ccnc(n3)N)[nH]2)c1	6
+Clc1ccc(C)c(-c2c(C(=O)N)cc(-c3c(cnc(N)n3)I)[nH]2)c1	393
+Clc1ccc(C)c(-c2c(C(=O)O)cc(-c3c(cnc(N)n3)I)[nH]2)c1	2244
+c1cc(ccc1-c2oc(nn2)CSc3nnc(n3-c4c(cccc4)Cl)-c5ccc(cc5Cl)Cl)C	9039
+Clc1ccc(C=C(CCCCC)CO)c(Cl)c1	2874
+c1cc(ccc1OCc2nc(C=Cc3ccc(Cl)c(c3)F)oc2)CCCCn4ccnc4CS(=O)(=O)C	547
+Clc1ccc(c(C=O)c1)CC(OC)=O	674
+Clc1ccc(CC)c(-c2c(C(=O)O)cc(-c3c(cnc(N)n3)Br)[nH]2)c1	6
+Clc1ccc(CC)c(-c2c(C(=O)N)cc(-c3c(cnc(N)n3)Br)[nH]2)c1	393
+Clc1cc(N)c(cc1)CC	0
+Clc1ccc(c(Cl)c1)CCOc2cc(ccc2OC)C(=O)OC	126
+c1c(Oc2c(Cl)ccc(CN)c2F)c(c(cc1C#N)F)Cl	9040
+Clc1ccc(CNC(=O)c2c(nn(c2)CCOCC)OCC)c(Cl)c1	21
+Clc1ccc(c(Cl)c1)CNC(c2c(nn(CCO)c2)OCC)=O	665
+c1(cc(c(cc1)Cl)-c2n(-c3ccc([N+](=O)[O-])c(-n4c(nc(C)c4)-c5c(ccc(Cl)c5)Cl)n3)cc(C)n2)Cl	3033
+c1ccccc1Oc2ccc(cc2[N+](=O)[O-])Cl	415
+CCN(Cc1sc(Cl)nc1)c2c(Cl)ccc(Cl)n2	43
+Clc1ccc(Oc2cc(ccc2OC)CC(=O)OCC)c(C=O)c1	46
+[N-]=[N+]=NCc1c(I)ccc(Cl)c1	925
+O=S(=O)(Nc1c(C(c2ccccc2Cl)=O)cc(cc1)Cl)c3ccc(c(c3)OC)OC	69
+Clc1ccc(c(C2=CC(=O)N3C(CCC3=C2)C(=O)O)c1)-n4nnnc4	1441
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+FC(F)(F)c1c(C(OC)=O)cnc(Nc2ccc(cc2Cl)Cl)c1	201
+FC(F)(F)c1c(C(=O)OC)cnc(Nc2c(Cl)cc(cc2)Cl)n1	55
+c1(ccc2c([nH]c(-c3cccc4C(c5c(cccc5)-c34)=O)n2)c1)Cl	1127
+c1ccccc1COCC(=O)N2CCCN(c3c(Cl)cc(Cl)cc3)CC2	58
+Clc1cc(c(cc1)NC(Nc2c(NCCCO)c(ccc2Cl)C(OC)=O)=S)Cl	773
+Nc1cc2c(cc1OCC)ncnc2Nc3c(F)c(c(Cl)cc3)Cl	0
+Clc1cc(c(O)c([N+]([O-])=O)c1)CCc2ncccc2	77
+Clc1ccc(cc1-c2cc(F)ccc2)O	134
+c1(cccc(F)c1NC(=O)c2oc(Cc3cc(ccc3OC(=O)C)Cl)cc2)F	768
+Clc1ccc(c(-c2c(c3c(nc(nc3cc2)N)N)Cl)c1)O	5
+Clc1ccc(c(-c2oc(nc2)CCCCC(OC)=O)c1)O	5
+O=S(=O)(c1ccc(O)c(Cc2cc(Cl)ccc2OCC(=O)OC)c1)C	4669
+Clc1ccc(OCOCCOC)c(c1)CCl	438
+Clc1cc(CO)c(cc1)Oc2cc(ccc2OC)CC(=O)OCC	41
+Clc1ccc([N+]([O-])=O)c(c1)Oc2c(cccc2)C(=O)O	500
+c12c(cccc1)Oc3c([N+]([O-])=O)ccc(Cl)c3C2=O	358
+Clc1ccc(Cl)c(-c2nc(cn2-c3c(ccc(Cl)n3)[N+]([O-])=O)C)c1	3033
+Clc1ccc2oc3ncc(cc3c2c1)Cl	9041
+Clc1ccc(N)c(c1)C2Cc3c(N2)cccc3	9042
+Clc1ccc(c(-c2oc(nc2)CCCCC(=O)O)c1)O	4
+Clc1ccc(c(-c2oncc2CCCO)c1)Cl	95
+Clc1ccc(c(-c2oncc2CCC(=O)O)c1)Cl	3
+c1cc(ccc1NC(CN2C3=C(C(=O)CC3)C(c4cc(ccc4Br)Cl)=CC2=O)=O)C=5NOC(=O)N=5	9043
+c1ccccc1C(COC(=O)C2N3C(CC2)=CC(=CC3=O)c4c(-n5nnnc5)ccc(Cl)c4)=O	1231
+Clc1ccc(O)c(CCc2ncccc2)c1	4195
+c1ccccc1S(=O)(=O)N2C(CN(Cc3c(CC(=O)OC)ccc(c3)Cl)CC2)C	48
+C1C(CO1)(COc2c(C=O)cc(cc2)Cl)C	450
+c1ccccc1CCOc2c(cc(cc2)Cl)C=O	8
+c1(c(C=O)cc(Cl)cc1)Oc2ccnc3cc(c(cc23)OC)OC	242
+Clc1ccc(c(c1)C(C#N)N)OC	9044
+Clc1ccc(OCC(OC)=O)c(CO)c1	41
+c1(Cl)ccc(OCC(OC)=O)c(c1)C=C2C(=O)Nc3cc(ccc23)Cl	1495
+Clc1ccc(OCOCCOC)c(CO)c1	41
+c1ccccc1C=2OC(C(N=2)=Cc3cc(Cl)ccc3Sc4cccs4)=O	9045
+Clc1ccc(c(c1)CC(=O)O)-n2ncnc2	508
+c1cc(ccc1F)CN2CC(N(CC2C)C(COc3ccc(Cl)cc3CC(OCC)=O)=O)C	648
+Clc1ccc(c(C=O)c1)Sc2cccs2	39
+Clc1ccc2-c3c(OCc2c1)c4CCCC(c4cc3)=O	3034
+Clc1ccc(c(Cc2ccc(C(=O)O)o2)c1)O	6
+Clc1ccc(c(Cc2ccc(o2)C(=O)OCC)c1)O	5
+c1(Cl)c([N+]([O-])=O)cc(c(c1)Cl)-c2nc3CCCCn3c2Cl	31
+Clc1ccc(-c2c(N)c(NC(CCC)C)ncc2)c(Cl)c1	13
+c1cc(NCCNc2cc(-c3ccc(Cl)cc3Cl)c(cc2)[N+]([O-])=O)nc(N)c1[N+](=O)[O-]	60
+Clc1ccc(c(Cl)c1)-c2nc(n3c(ncc3)c2)OCCNc4ccc([N+]([O-])=O)c(n4)N	9046
+Clc1ccc(c(Cl)c1)-c2c(Cl)n3CCCCc3n2	844
+Clc1ccc(c(Cl)c1)-c2cn3CCCCc3n2	3035
+Clc1ccc(c(Cl)c1)-c2cnc(N)c(c2C#N)Cl	395
+Clc1ccc(c(Cl)c1)-c2nc3c(cccc3C(=O)N)o2	393
+Clc1ccc(c(Cl)c1)-c2nc3c(cccc3C(=O)O)o2	1
+C1N(Cc2n(c(Cl)c(n2)Cl)C1)C(=O)c3ccc(Cl)cc3Cl	844
+Clc1ccc(C(=O)O)c(c1)Oc2c(cccc2)C	415
+Clc1ccc(c(Cl)c1)-c2cn3ccccc3n2	9047
+Clc1ccc(c(Cl)c1)C2C(C(=O)OCC)=C(N=C(c3ncccc3F)N2)CN4CCOC(C(=O)O)C4	2644
+Clc1ccc(c(Cl)c1)C=2NC(=O)c3cc(nn3C=2)C=O	178
+Clc1ccc(c(Cl)c1)C=2NC(=O)c3cc(CO)nn3C=2	194
+Clc1ccc(c(Cl)c1)CCCC(=O)O	4670
+Clc1ccc(c(Cl)c1)CCNc2cc(Cl)nc(n2)OC	40
+Clc1ccc(c(Cl)c1)CCNC(c2ccc([N+]([O-])=O)cc2N)=O	1338
+C(c1ccc(c(C#N)c1)-n2c3c(cc(C(NCCc4ccc(Cl)cc4Cl)=O)cc3)cc2)C(=O)O	4
+O=S(=O)(NC(C1CCCN(c2nc(nc(NCCc3c(cc(Cl)cc3)Cl)c2)OC)C1)=O)C	344
+Clc1ccc(c(Cl)c1)CCNc2nc(nc(-c3cc4CC(N(C)c4cc3)C(=O)O)c2)OC	3
+Clc1ccc(c(Cl)c1)CCOc2cc(C(=O)O)ccc2OC	1
+Clc1ccc(c(Cl)c1)COc2ccc3c(CC(OC)=O)coc3c2Cl	139
+Clc1ccc(c(Cl)c1)CNC(c2cnc(nc2O)N)=O	484
+c1cc(ccc1-c2nc3n(ncc3)c(NCc4c(cc(cc4)Cl)Cl)c2)C(OC)=O	1005
+O=S(=O)(CCCCC)NC(=O)c1ccc(c(N(Cc2c(cc(Cl)cc2)Cl)C)c1)[N+](=O)[O-]	258
+c1(cc(c(CNC(c2cn(nc2OCC)CCOc3c(CC(OC)=O)cccc3OCC)=O)cc1)Cl)Cl	20
+c1nc(ncc1Br)N2CCC(NCc3c(Cl)cc(cc3)Cl)C2	117
+Clc1ccc(c(Cl)c1)COc2ccc3c(coc3c2Cl)CC(=O)O	4
+c1(Oc2ccc(Cl)cc2Cl)c(ccc(c1)Cl)[N+](=O)[O-]	415
+c1c(Cl)c(Oc2ccccc2C#N)ccc1Cl	46
+Clc1ccc(c(Cl)c1)OC(c2sc(N)nn2)C	1087
+COC(OC)CN(C)C(=O)Nc1sc(C(C)Oc2ccc(Cl)cc2Cl)nn1	1110
+c1(ccc(Cl)cc1O)[N+]([O-])=O	1683
+Clc1ccc([N+]([O-])=O)c(Oc2c(cccc2)C=O)c1	415
+c1ccccc1CN2CCC(CC2)Nc3cc(ccc3[N+]([O-])=O)Cl	205
+Clc1ccc(c(F)c1)-c2c(F)cncc2C(=O)NC	56
+Clc1ccc(c(F)c1)-c2c(F)cncc2C(=O)O	1
+O=S(=O)(c1ccc(OC)cc1OC)NC(C)c2c(-c3c(F)cc(Cl)cc3)cccc2	71
+O=S(=O)(NC(c1c(-c2c(F)cc(Cl)cc2)cccc1)C)c3ccc(cc3)OC	71
+c1([N+](=O)[O-])cc(F)c(cc1Cl)F	31
+Clc1ccc(c(OC)c1)Oc2ccc(cc2-c3cccnc3OC)C#N	305
+Clc1ccc(c(OC)c1)Oc2ccc(C(=O)N)cc2-c3cccnc3OC	216
+c1cc(ccc1C(=O)C)Oc2c([N+](=O)[O-])cc(cc2)Cl	304
+Clc1ccc(c([N+]([O-])=O)c1)CCOC(=O)OCC2OC(N3C=C(C(NC3=O)=O)C)CC2O	405
+Clc1cc(N)c(NC2CC(C)N(CC2)C(=O)OC)cc1	0
+Clc1ccc(c(c1)-c2c(OCC)cnc(O)c2)C#N	104
+O1CCOC1(C)COc2cc3C4(N=C(N)OC4)c5c(ccc(c5)-c6c(ccc(Cl)c6)F)Oc3nc2	381
+Clc1cc(c(cc1)C2c3c(cccc3)N(C2=O)CC(=O)OC)O	462
+FC(F)(F)c1cc2c(c(O)nc(-c3c(SCC)cc(Cl)cc3)n2)cc1	748
+c1cc(Cl)c(c(c1OC)Cl)[N+]([O-])=O	297
+c1(cc(c(Cl)cc1I)-c2cc(F)ccc2)O	235
+c1(-c2nc3c([nH]2)ncc([N+]([O-])=O)c3)c(Cl)ccc(NC(=O)c4occc4)c1	2245
+c1ccccc1[Si](c2ccccc2)(Oc3cc(C)c(cc3)Cl)C(C)(C)C	1505
+Nc1cccnc1Nc2cc(c(Cl)cc2)F	13
+c1c(c(cc(Cl)c1F)C(=O)C)O	94
+c1cc(ccc1Br)CC(=O)c2cc(Cl)c(O)cc2O	214
+c1cc(ccc1)-c2nc(nc(-c3ccccc3)n2)-c4cc(Cl)c(cc4O)O	9048
+Clc1ccc-2c(c1)COc3cc(O)ccc-23	5
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)-c3ccc(Cl)cc3CO2	166
+c1cc(ccc1)CC2(C)C(Nc3cc(ccc23)Cl)=O	9049
+Clc1ccc2c(c1)NC(=O)C2=Cc3cc(Cl)c(F)cc3OC	1495
+Clc1ccc2c(C(NC(C3COCCN3c4c(cnc(Cl)n4)Br)=O)CC2)c1	9
+Clc1cc2N(c3ncnc(Cl)n3)CCCc2cc1	3036
+[N-]=[N+]=NC(C)Cn1c-2c(cc1)Cc3ccc(Cl)cc-23	2135
+Clc1ccc2c(C3(COc4cc5c(cc34)CCO5)C(N2CC(OCC)=O)=O)c1	20
+FC(F)(F)C(NC1C2c3c(Oc4c(cc(cc4)Cl)N2CCC1)cccc3)=O	605
+Clc1cc2c(nc(Cl)c3c2n(cn3)-c4c(Cl)cccc4)cc1	445
+Clc1ccc2Cc3ccn(CC(O)C)c3-c2c1	9050
+Clc1ccc2c(C(c3c(cc4c(CCO4)c3)O)C(=O)N2CC(OCC)=O)c1	462
+CC=CCC1C(c2c(ccc(Cl)c2)C1)=O	4432
+Clc1ccc2CCC(N3c4c(N5CCOCC5C3=O)nc(Cl)nc4)c2c1	9051
+Clc1ccc2c(C3(COc4cc5c(cc34)CCO5)C(N2CC(=O)O)=O)c1	3
+Clc1ccc2c(C=Cc3sc(nc3C2C=4C(NC(NC=4)=O)=S)C)c1	3873
+c1(c(Cl)ccc2c1nccc2Cl)[N+](=O)[O-]	3037
+Clc1ccc2c(cnnc2-c3ccc(cc3C)F)c1	519
+Clc1ccc2c(NC(N2C3CCNCC3C)=O)c1	1574
+c1cc(ccc1F)C(c2ccc(cc2)F)CCCN3CC(C)C(CC3)N4C(=O)Nc5cc(Cl)ccc45	53
+FC(F)(F)c1ncc(-n2c3cc(Cl)ccc3c(Sc4cccc(C(=O)OC)c4)c2C)cc1	3217
+c1cc(ccc1F)Cn2c3cc(ccc3c(Sc4cc(C(=O)OC)ccc4)c2C)Cl	190
+c1ccccc1-n2cc(-n3c(c(c4ccc(cc34)Cl)Sc5cc(ccc5)C(OCC)=O)C)cn2	1865
+c1cc(ccc1Cn2cc(c3ccc(Cl)cc23)C=O)F	190
+c12nc(cc(-c3cccnc3)c1cc(NCc4cccnc4)cc2)NCc5ccccc5OC	205
+Clc1ccc2c(C(C(N2CC(OCC)=O)=O)(O)c3cc4c(cc3O)OCC4)c1	1115
+C1(c2c(C(=O)N1CC(N3c4cc(ccc4Oc5ccccc5C3)Cl)=O)cccc2)=O	192
+C1CC1c2c(c3c(cc(Cl)cc3)n2-c4cnn(CCC)c4)Sc5cccc(C(OCC)=O)c5	9052
+Clc1ccc2c(cc(C(=O)OCC)n2CCCSC)c1	965
+Clc1ccc2n(c(CO)cc2c1)CCCSC	194
+FC(F)(F)C(c1c[nH]c2ccc(Cl)cc12)=O	531
+Clc1c([N+]([O-])=O)c2c(cc1)nc(C)cc2	1804
+c1cc(ccc1Oc2ncc3c(ccc(c3)Cl)c2)OC	136
+n1cc2cc(Sc3cccc(F)c3)ccc2c(n1)-c4c(cc(cc4)F)C	825
+Clc1ccc2c(n(C(=O)CC(C)CC(=O)O)c(CCCCCC)c2)c1	4
+Clc1ccc2c(nc(C=Cc3cc(ccc3)CN4c5c(CC4)cccc5CCC#N)cc2)c1	2786
+Clc1ccc2c(nc(C=Cc3cccc(c3)OC(C)C#N)cc2)c1	143
+Clc1ccc2c(nc(C=Cc3cccc(OC(C(N)=O)C)c3)cc2)c1	83
+c1cc(ccc1CNc2c3C(CCCc3nc4cc(ccc24)Cl)=O)F	608
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(OCC)=O)n2)c1	9053
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(=O)O)n2)c1	3
+c1(c2ccc(cc2cnn1)-c3c(C)ccc(C(=O)O)c3)O	667
+c1ccccc1-n2c3c(c4ccc(Cl)cc24)cccc3	2246
+Clc1ccc2c(n[nH]c2I)c1	538
+Clc1ccc2c(c(n(c2c1)C)-c3cc(C=O)cnc3)C#N	4671
+Clc1ccc2cc(CCCCCC)[nH]c2c1	9054
+Clc1ccc2cc(C=CCCCC)[nH]c2c1	9055
+c1cc(ccc1C)C#Cc2ccc3c(cc4CC5(Cc4c3)C(=O)Nc6ncccc56)n2	9056
+FC(F)(F)C(c1c2ccc(Cl)cc2[nH]c1)=O	531
+Nc1c(Br)c2c(ccc(Cl)c2F)nc1	13
+n1cccc2c([N+]([O-])=O)c(Cl)ccc12	1804
+Clc1ccc2oc(-c3cc(C(=O)O)ccc3)cc2c1	6
+C(Nc1nc2cc(Cl)ccc2o1)C3NCCCC3C	9057
+c1ccccc1C(=O)Nc2sc3c([nH]nc3-c4cc(ccc4)Cl)n2	9058
+Clc1cccc(-c2c(-c3cc(ccc3)C#N)cc(s2)C(=O)O)c1	6
+c1cc(ccc1C(c2ccc(c(-c3cc(Cl)ccc3)c2F)OC)=O)[N+](=O)[O-]	222
+Clc1cccc(-c2c3c(nc(O)c2)ccc(C(c4cccc(I)c4)=O)c3)c1	104
+Clc1cccc(-c2c3c(NC(C3=Cc4c(cc(C)[nH]4)C)=O)ccc2)c1	292
+Clc1cccc(c1)-c2noc(C)c2CO	1043
+Clc1cccc(-c2noc(C)c2C(=O)O)c1	6
+Clc1cccc(-c2c(-c3cc(ccc3)C#N)cc(C(=O)OCC)s2)c1	1074
+c1ccc(Cl)cc1CCCCCCC(c2ncc(-c3ncccc3)o2)=O	213
+Clc1cccc(C#Cc2nc(C)n(c2)-c3cc(F)cnc3)c1	9059
+Clc1cccc(c1)-c2nn3c(ccnc3)c2	9060
+FC(F)(F)c1cc(S(=O)(=O)N(COC)c2cc(Cl)cnc2C3OC(=O)c4cccc(Cl)c34)ccc1Cl	9061
+Clc1cccc(c1)-c2[nH]c3c(ncnc3Cl)n2	4672
+c1(cccc(NC(CCC)=O)c1)NC(=O)c2cccc(Cl)c2	67
+CC(C)c1onc(c1COc2ccc(cc2)-c3ccc4c(ccc(n4)C(=O)OCC)c3)CS(c5c(cccc5Cl)Cl)=O	357
+Clc1cnc(NC2CC(C(=O)N)CCC2)nc1S(=O)C	1056
+FC(F)(F)C=1N(C(=O)N(c2cc3c(nsc3cc2)CS(=O)(=O)C)C(C=1)=O)C	2852
+FC(F)(F)C=1N(C(=O)N(C(C=1)=O)c2cc3c(CS(C)=O)nsc3cc2)C	441
+FC(F)(F)COc1ccnc(c1C)CS(c2nc3cc(N4CCN(CC4)C)c(F)cc3[nH]2)=O	172
+FC(F)(F)Cc1ccc(cc1)C2CN(C(=O)N3CCS(CC3)=O)CC(c4nc(no4)OCCOC)C2	441
+FC(F)(F)c1c(noc1-c2nc(-c3ccc(cc3)C4OC4)no2)-c5ccccc5	3038
+FC(F)(F)c1cc(Cl)c(c(Cl)c1)-c2cc(S(=O)(=O)C)n(C)n2	9062
+FC(F)(F)c1cc(Cl)c(c(Cl)c1)-c2cc(S(=O)C)n(n2)C	1056
+FC(F)(F)c1cc(S(=O)CC)cc(S(=O)(=O)N(C2CCCc3c2cnn3CC(OCC)=O)C)c1	357
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2CCc3[n+](cccc3C2c4ccc(cc4)F)[O-])C	103
+FC(F)(F)c1cc2nc(-c3cc(Cl)[n+]([O-])cc3)oc2cc1	103
+FC(F)(F)c1cccc(c1)Nc2nc(-c3cc[n+](cc3)[O-])ccn2	103
+FC(F)=C(CCOC(c1cnc(nc1C)S(=O)(=O)C)=O)C	737
+C1COCCN1c2nc(S(C)=O)nc(-n3c4ccccc4nc3C(F)F)c2	172
+Fc1cccc(F)c1N2c3c(C=CC2=O)c(Cl)nc(n3)S(C)=O	172
+[n+]1(cc2c(cc1)OCC23C(N(CCCCC)c4ccccc34)=O)[O-]	103
+c1c(C=2C(NC(=O)C=2c3cn(C)c4ccccc34)=O)c5c(cccc5)n1CCCS(=O)C	441
+c1(c(NC(C)=O)cccc1)OCC2(OC2)C	2727
+O(CC)C(=O)C(C)c1[n+](cccc1)[O-]	103
+O1CCOC1(CCCn2c3c4ccccc4[n+](cc3nc2C)[O-])C	359
+O1Cc2c(ccc(C3CO3)c2OC)C1=O	3038
+C12C(C(=O)N(C1=O)CCCCl)CC3C(C2)O3	9063
+O=S(=O)(N)Nc1c(c(S(C)=O)ccc1)C#N	357
+O=S(=O)(Nc1c(c(-c2c(-c3nc(S(=O)C)ncc3)sc(n2)C4CC4)cc(Cl)c1)F)C	172
+O=S(=O)(c1c(CN2c3nc(S(=O)C)ncc3C=CC2=O)cccc1)CC	172
+O=S(=O)(c1ccc(C=2C(N(c3c(cnc(n3)S(=O)C)C=2)CC)=O)c(c1)C)N(C)C	172
+O=S1(=O)c2c(cc(cc2)Br)C=C(C(OC)=O)CC1	9064
+C(=O)(C)OC(C(=O)NCCCCCCCC)CCS(C)=O	441
+c1c(OC)ccc2[nH]c(S(=O)Cc3nccc(OCCO)c3C)nc12	172
+O=S(c1[nH]c2cc(C)c(C(=O)C)cc2n1)Cc3nccc4OCOc34	172
+c1c(OC)ccc2[nH]c(S(=O)Cc3cccc4CCCN(C)c34)nc12	172
+O=S(Cc1cc(OC)ccn1)c2[nH]c3cc(F)c(-n4ccnc4)cc3n2	172
+O=S(=O)(C)c1cc(ccc1)Nc2c(C(=O)OC)c(C#N)cc(Cl)n2	720
+c1c(ccc(Cl)n1)S(c2c(F)cccc2)=O	1758
+C(CS(=O)c1cccc(n1)C=2Sc3c(cccc3)C(N=2)=O)CCC	1056
+[N+]([O-])(=O)C([N+]([O-])=O)(C)COCC1OC1	553
+O=S1(=O)c2cc(ccc2C=Cc3cc(ccc13)[N+](=O)[O-])C#N	9065
+c1c(-c2cccc(C)n2)[n+](c(cc1)C)[O-]	103
+c1c(OCC)c(cc(C)c1)O	9066
+c1cc(ccc1CCc2cc(C)[n+](c(C)c2)[O-])[N+]([O-])=O	103
+c1(CN2N=C(OCCC3CO3)C=CC2=O)cc(ccc1)C(=O)OC	553
+O(Cc1cccc[n+]1[O-])C2CCOC2	103
+c1(Cl)ccnc(CO)c1	9067
+Clc1c[n+](cc(Cl)c1COC2OCCCC2)[O-]	103
+c1(F)cc(cc(F)c1)COc2c[n+](cc(c2)C#N)[O-]	103
+C1CC(CCN1c2c(nc(n2-c3c(cc(cc3F)F)F)S(=O)(=O)C)Cl)C	737
+c1(F)cccc(F)c1N2c3nc(S(C)=O)nc(c3C=CC2=O)-c4cc(C(=O)Nc5sccn5)ccc4C	172
+c1(F)cccc(F)c1N2c3nc(S(C)=O)nc(c3C=CC2=O)-c4c(ccc(C(O)=O)c4)C	172
+c1(F)cccc(F)c1N2c3nc(S(C)=O)nc(c3C=CC2=O)-c4cc(C(NCc5ccccc5)=O)ccc4C	172
+Oc1nc2c(C)cc3c(c2cc1)OC(CO)C3	2730
+c1(Cl)cc([n+]([O-])c2CCCCc12)C	103
+Clc1cc(cc(Cl)c1-n2nc3c(c2)c[n+](cc3)[O-])F	103
+O=S(=O)(c1cc2c(cc1)cc(cc2)OC)C	720
+c1(cc2ccc[n+]([O-])c2cc1)N3C(c4cc(OC)ccc4C3)=O	924
+c1(ccc2c(oc(S(=O)C)n2)c1)Cn3cnc4c3cc(Cl)c(Br)c4	9068
+[n+]1([O-])cccc(C(=O)OC)c1CCl	103
+c1[n+]([O-])c2CCC(C)c2c(Cl)n1	2758
+[O-][n+]1cc(F)c2nc(-c3c(F)cccc3Cl)sc2c1	9069
+c1c(c(C)[n+](c2c1CCCCC2)[O-])C(OCC)=O	103
+c12nc3c[n+]([O-])c4c(cccc4)c3n1OCCCC2	359
+c1([n+]([O-])c(C)ccc1)Cl	103
+C(Oc1[n+]([O-])c(C)ccc1)CCC	103
+O=S(=O)(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c5ccccc5n(C)c4	2852
+c1c(Cl)c(c(cc1[N+]([O-])=O)Cl)-n2cc3c(n2)c(c[n+]([O-])c3)F	103
+Clc1c[n+](cc(Cl)c1NC(c2cc(C#N)ccc2)=O)[O-]	103
+c1c(F)c(ccc1F)C(C(C)c2ccc[n+]([O-])c2)(Cn3ncnc3)O	103
+c1c(F)c(ccc1F)C(Cn2ncnc2)(C(C)c3[n+](cccc3)[O-])O	103
+O=S(=O)(C)Cc1c2c(ccc1)cc[nH]2	1547
+O=S1(=O)CCCOc2cc(ccc12)F	720
+c1c(ccc(N2c3c(c(Cl)nc(n3)S(=O)C)C=CC2=O)c1F)F	172
+c1ccc2c(c1)C(=O)N(C2=O)c3[n+](cc(C)c(c3)C)[O-]	103
+c1c(OC(C)=O)cc2CCC(=O)Nc2c1F	4673
+c1c2c(Br)cccc2n(-c3ccnc(S(=O)C)n3)c1	172
+c1nc(c2cc(S(=O)C)ccc2n1)NCc3ccc4OCOc4c3	357
+c1[n+](c(OCC)cc2ccccc12)[O-]	103
+c1c(c[n+](c(C)c1)[O-])Br	103
+Clc1ccc2c(c3c(ncn3-c4c(Cl)cccc4)c[n+]2[O-])c1	359
+c1cc(c(cc1)CS(c2nc3c(CCCC3)[nH]2)=O)N	172
+c1cc(OCC(=O)O)cc2N(CCc12)c3c4CS(Cc4nc(Cl)n3)=O	441
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(S(=O)C)s3	9070
+S(C)(=O)c1nccc(-n2c3cc(ccc3cc2)-c4cc(ccc4)[N+]([O-])=O)n1	172
+c1cc(ccc1)-c2cc(N(c3ccnc(n3)S(=O)C)C)cc4c2[nH]cn4	172
+c1cc(ccc1)-c2nc(sc2C)S(=O)C	2247
+c1cc(ccc1)C(=O)CCCn2c3c4c(cccc4)[n+](cc3nc2)[O-]	359
+c1cc(ccc1)C(=O)c2nc(on2)CS(=O)c3ccccc3	357
+c1cc(ccc1)CCc2cc[n+](c3ccc(cc23)C(=O)c4ccc(cc4)Cl)[O-]	924
+c1cc(ccc1)COCC2COCc3nc4c[n+]([O-])c5c(cccc5)c4n23	359
+c1cc(ccc1)COc2c(ccc(c2)CC)Oc3c(F)cc(OC(=O)C)cc3	4673
+c1ccccc1CS(c2cc(nc3c(cnn23)C=C4NC(=O)NC4=O)Nc5cc(Cl)ccc5)=O	1056
+c1cc(ccc1)CS(=O)(=O)c2nc3c(CN(c4c(cccc4)Cl)C(N3)=O)cn2	737
+c1cc(ccc1)N(CCC2CO2)S(=O)(=O)c3ccccc3[N+](=O)[O-]	553
+c1ccccc1NC(=O)c2c3ccc(cc3[n+](c(C)c2)[O-])-c4ccc(OCC(C)(C)C(=O)O)nc4	924
+c1cc(ccc1)S(c2c3c(cc(cc3)OC)ncc2)=O	2248
+c1cc(ccc1)S(c2ccc(nc2)Br)=O	1758
+c1cc(ccc1)S(=O)c2ccc3nc(NC(=O)OC)c(Br)n3c2	1758
+c1cc(ccc1)S(=O)c2cnc(cc2)Cl	1758
+c1cc(ccc1-c2c3ccc(-c4cc(ccc4)[N+]([O-])=O)cc3n(-c5ccnc(n5)S(C)=O)c2)OC	172
+c1cc(ccc1-c2nc(S(C)=O)ncc2)Br	172
+c1cc(ccc1-c2nc3c(cc(S(=O)(=O)C)cc3)s2)Cl	720
+c1cc(ccc1S(=O)(=O)CCCOc2c(c(c(cc2)C(C)=O)O)CCC)C(CCCCC(OC)=O)=O	720
+c1c[n+](ccc1-c2ccc(cc2)C(C)C)[O-]	103
+c1cc(ccc1C(OC)=O)-c2cc3c(cc(cc3)OC)[n+](c2)[O-]	924
+c1cc(ccc1C2=NN(CC3CC3)C(C(=C2)COS(=O)(=O)C)=O)S(C)=O	357
+c1cc(ccc1CCNc2c(c(CC)ncn2)C(OCC)=O)CCS(=O)C	441
+c1cc(ccc1CN2CCc3c(c(c[n+]([O-])c3C(N(C)C)=O)OC)C2=O)OC	103
+O=S(=O)(Cc1ccc(cc1)Cl)CC(c2c(C)c3c(ccc(Cl)c3)s2)=O	9071
+c1cc(ccc1CS(=O)CCn2nncc2)OCC=C	441
+c1cc(ccc1Cl)-c2cnc(S(=O)(=O)C)nc2-c3c(cc(cc3)Cl)Cl	737
+c1cc(ccc1C(O)CC2OC2)Cl	553
+c1cc(ccc1CS(CC(c2sc3ccc(cc3c2C)Cl)=O)=O)Cl	9072
+c1cc(ccc1F)-c2noc(Cn3c(nc4c[n+](c5cccnc5c34)[O-])CCC)c2	4287
+c1cc(ccc1F)COCC2COCc3nc4c[n+]([O-])c5c(cccc5)c4n23	359
+c1cc(ccc1N)S(C)=O	357
+c1cc(ccc1NC(NC(c2c([N+](=O)[O-])cccc2)=O)=O)S(c3ncc(cn3)Br)=O	9073
+c1cc(ccc1NC(c2c(nccc2)S(=O)Cc3ccncc3)=O)Cl	1056
+c1cc(ccc1C#N)OCCC2CO2	553
+c1cc(ccc1OCCCCCCCC)-c2ccc(c[n+]2[O-])CCCCCCCC	103
+c1cc(ccc1S(=O)(=O)C)Oc2ccc(cc2)[N+]([O-])=O	720
+c1cc(ccc1S(=O)(=O)C)-c2n3nc(S(C)=O)ncc3cc2	172
+CC1(C)Cc2c(c(C)c(C)c(N3CCN(CC3)c4ccc(cc4)S(=O)(=O)C)c2C)O1	2146
+C1CC(CCC1)(N(CC)CC)C(=O)c2ccc(cc2)S(=O)C	357
+c1cc(ccc1S(=O)c2c3NC(Cc3ccc2)=O)Cl	2248
+c1c[n+](ccc1-c2c3c(n[nH]2)-c4c(CC3)cccc4)[O-]	103
+c1cc(ccc1S(=O)C)-c2nc3n(CCC3)c2-c4ccncc4	357
+c1c[n+](ccc1-c2ccnc(Nc3cc(ccc3)OC(F)(F)C(F)F)n2)[O-]	103
+c1cc2nc(sc2cc1Oc3c4c(cccc4)ncc3)S(C)=O	2247
+c1cc(ccc1)-c2c(ccc(c2Cl)Br)S(=O)(=O)C	720
+c1ccccc1-c2c3ncn(C)c3cc(N(C)c4ccnc(n4)S(=O)C)c2	172
+c1ccccc1C(CCCCCn2cnc3c[n+](c4c(cccc4)c23)[O-])=O	359
+c1ccccc1C(CCCCCn2c(nc3c2c4c([n+]([O-])c3)cccc4)CCCC)=O	359
+c1ccccc1C(c2cc(S(=O)(=O)C)ncn2)OC	3444
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(F)nc(c4)CCCS(=O)(=O)CC	9074
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(nc(c4)CCCS(CC)=O)F	441
+c1ccccc1C(c2ccccc2)C3OC3	553
+c1ccccc1C(c2ccccc2)N3CC(C3)S(=O)c4ccc(cc4)Cl	357
+O=S1(=O)CCNC(CC12CCCCC2Cc3ccccc3)=O	1547
+c1ccccc1CCCNC(c2c(nc(S(=O)(=O)C)nc2-c3cc(Cl)cc(Cl)c3)C)=O	737
+c1ccccc1COC(=O)NC(C2OC2)CC(C)C	553
+c1ccccc1COc2c(cccc2C3CCCC3)CC4OC4	553
+c1ccccc1COc2c3ncccc3c(cc2Cl)S(=O)(=O)C4CCCC4	720
+c1ccccc1COc2ccc3[n+](cc4c(c3c2)n(C)c(n4)CC)[O-]	359
+c1ccccc1CS(=O)c2nc(NCc3ccc(c(c3)Cl)OC)c(C(OC)=O)c(n2)N4CCn5c(C4)ncc5	172
+c1cc(ccc1)Oc2c[n+]([O-])c(cc2)C	103
+c1ccccc1S(=O)(=O)Nc2cccc(c2)S(c3cc(C=O)c(cc3)[N+]([O-])=O)=O	2248
+c1cc(ccc1)S(=O)c2c[nH]c3ccccc23	1758
+c1cc(ccc1)S(c2ccc(cc2)Cc3csc(Br)n3)=O	2248
+c1ccccc1[Si](c2ccccc2)(OC3CC(C3)OC(C)=O)C(C)(C)C	4125
+c1cccc(-c2nc(-c3ccc(c(OCC)c3)OCC)sc2)[n+]1[O-]	103
+c1[n+]([O-])cc2ccc(C)c([N+]([O-])=O)c2c1	103
+c1[n+]([O-])cc2cccc(c2c1)Br	103
+c1c[n+](ccc1-c2c(nn(C(C)CC)c2)-c3ccc(s3)Cl)[O-]	103
+C(C)OP(OCC)(CCc1cc[n+](cc1)[O-])=O	103
+O(CC)P(OCC)(=O)Cc1cc[n+](cc1)[O-]	103
+c1n(Cc2ccc3nc(S(=O)C)sc3c2)cnc1Br	2247
+[n+]1(c(C)ccc(c1)C(=O)OC)[O-]	103
+O=S(=O)(C)c1cc2c(ncnc2cc1)NCc3cc4c(OCO4)cc3	2146
+c1nc(ncc1-c2c(cccc2)F)-n3cc(c4ccc(cc34)C(=O)OC)S(C)=O	9075
+n1nc(n(C)c1S(C)=O)-c2ccc3ccccc3c2	172
+n1(c2c[n+](ccc2c(n1)C(=O)N)[O-])CC(=O)N3C4CC4CC3C(NCc5cccc(Cl)c5F)=O	9076
+n1(c2ncccc2nc1)Cc3ccc4nc(S(=O)C)sc4c3	2247
+c1c(OC)c(cc(-c2[n+](cccc2C)[O-])c1)F	103
+c1cc[n+](c(-c2cc(ccc2)OC)c1CC(OC)=O)[O-]	103
+C1=C(C(=C=[N-])[N+](C(C)=C1)=O)C	9077
+n1c(nccc1-c2c(nn3c2cccc3)-c4cc([N+]([O-])=O)ccc4)S(=O)C	172
+c1cc2cc([N+]([O-])=O)ccc2[n+](c1)[O-]	924
+c1c(OCC)cc(c[n+]1[O-])Br	103
+O(c1ccc[n+]([O-])c1)c2cc(ccc2)F	103
+n1cccnc1CNC(c2cnc(S(=O)C)nc2NCc3ccc(c(c3)Cl)OC)=O	172
+Clc1cccc(c1)C(O)c2cc(n(c2)C)C(=O)O	9078
+c1cc(ccc1[N+](=O)[O-])-c2occ(-c3cc(Cl)ccc3)n2	9079
+Clc1cccc(C(CC=C)CNC)c1	110
+c1cc(ccc1)S(=O)(=O)N(C)CC(c2cccc(c2)Cl)CC=C	92
+Clc1cccc(C(=O)c2cn(C)c(c2)C(=O)O)c1	787
+c1ncncc1Oc2cc(NC(c3cccc(Cl)c3)=O)cc(c2)Cl	50
+Clc1cccc(C(Nc2cc(c(C)cc2)OCc3c4c(n(C)n3)ncnc4Cl)=O)c1	951
+Clc1cccc(c1)C(O)CO	95
+c1cc(ccc1OCC=2OC=C(C(C=2)=O)O)CC(NCC(O)c3cccc(Cl)c3)C	87
+C1(NC(=O)CS1)=NCc2c(C)cccc2Cl	9080
+Clc1cccc(C=2c3cc(OC)ccc3CCC=2)c1	3039
+Clc1cc(ccc1)C2c3c(ccc(OC)c3)CCC2	3040
+Clc1cccc(c1)C=CC(=O)N2C(CN(CC2)c3nccnc3C#N)C(OC)=O	317
+Clc1cccc(c1)CCc2cc(OC)ccc2C(=O)O	1442
+O=S(=O)(c1c2cccc(OCCCCl)c2n(Cc3cccc(Cl)c3)n1)c4cccc5ccccc45	823
+Clc1cccc(Cn2c(cc3c2nc(SC)nc3Cl)CC)c1	1836
+c1cc(ccc1NC(c2c(c(OCc3cc(Cl)ccc3)ccc2Cl)F)=O)CC(OCC)=O	22
+Clc1cccc(c1)CCc2oc(nc2C(=O)OCC)C	3666
+O=C(OCC)C(=NO)C(CCc1cc(Cl)ccc1)=O	9081
+c1c(cc(Cl)cc1)CCNCc2cc(O)ccc2	42
+FC(F)(F)Oc1ccc(cc1)OCC(NCc2scc(n2)C(=O)NCCc3cc(Cl)ccc3)=O	68
+Clc1cccc(CNC(c2ccc(Cl)c(N)c2)=O)c1	14
+O=C(Nc1cc(ccc1C)C(NCc2cccc(Cl)c2)=O)c3cc4cc(OC)c(OC)cc4nc3O	14
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5cc([N+](=O)[O-])c(CNCc6cccc(Cl)c6)cc5c(Br)n4	370
+c1cc(ccc1)COc2cc3cc(C(Nc4cc(C(NCc5cc(ccc5)Cl)=O)ccc4Cl)=O)c(nc3cc2OC)O	246
+Clc1cccc(CNc2cc(n(C)n2)C=O)c1	178
+Clc1cccc(CNc2cc(CO)n(C)n2)c1	398
+Clc1cccc(CNc2nc3n(cc(cc3OC)C(=O)O)n2)c1	6
+C1CCCC1c2onc(c2CO)-c3c(Cl)cccc3Cl	903
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3cc(c(N)cc3)C	1538
+FC(F)(F)c1nc(OCc2c(nnn2-c3c(cccc3Cl)Cl)C(C)C)ccc1[N+]([O-])=O	2055
+c1c(Cl)c(c(cc1)Cl)Nc2ccccc2CS(=O)(=O)NCCOCCO	230
+Clc1cccc(Cl)c1C(C(O)=O)=O	2249
+Clc1cccc(Cl)c1C(=O)Nc2c(N)cnc(Nc3cc(C)nc(C)n3)c2	13
+c1nc(ncc1)CNC(C(=O)c2c(Cl)cccc2Cl)=O	2754
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=Cc2ccc(cc2)C3(CCOCC3)COC)=O	858
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=Cc2ccc(cc2)Oc3nc(OC)cc(n3)OC)=O	1046
+c1nc(ncc1)N(C)c2ccc(cc2)C=CCC(C(=O)OC)NC(c3c(Cl)cccc3Cl)=O	1046
+Clc1cccc(Cl)c1C(=O)NC(C(=O)O)CC=Cc2ccc(cc2)N(c3ncccn3)C(C)C	4
+c1cc(ccc1CC(NC(=O)c2c(Cl)cccc2Cl)C(=O)O)OCCc3nc(ccc3)NC4CCCC4	4
+c1c(Cl)c(c(cc1)Cl)Cc2[nH]c3c(cccc3)n2	442
+CC(C)c1onc(c1COC)CCc2c(Cl)cccc2Cl	1043
+Clc1cccc(Cl)c1CNc2ccnc(n2)Nc3cnn(c3)CC(=O)NC(CO)C	486
+Clc1cccc(Cl)c1COCCOCCCCCCNCC(O)c2ccc3c(COC(C)(C)O3)c2	2875
+Clc1cccc(Cl)c1COCCOCCCCCCNCC(O)c2ccc(O)c(c2)CO	2937
+c1c(Cl)c(c(cc1)Cl)COc2cc(N)c(N)cc2	0
+Clc1cccc(Cl)c1COc2cc3c(cc2)n(c(C(O)=O)c3)CCCC#N	6
+CC(C)N1C(C2=C(OCc3ccccc3)C(N=C(N2CC1)Cc4c(Cl)cccc4Cl)=O)=O	9082
+c1c(Cl)c(c(cc1)Cl)N=[N+]=[N-]	615
+c1(Cl)cccc(Cl)c1NC(N(C)c2ncnc(Nc3ccc(cc3F)F)c2)=O	1587
+C1COCCN1c2ccc(cc2)Nc3ncnc(c3)N(C)C(Nc4c(Cl)cccc4Cl)=O	1587
+c1c(Cl)c(c(cc1)Cl)NC(=O)Nc2cc3c(cccc3)cc2C(=O)N(Cc4ccccc4)CCC(=O)OCC	124
+c1cc(ccc1)CN2CCC(CC2(C)C)Oc3cccc(n3)Cl	91
+c1sccc1COc2cccc(Cl)n2	91
+Clc1cccc(Cn2c(c(CC(N)=O)c3cc(ccc23)O)CC)c1	5
+Clc1cccc(Cn2c(c(CC(N)=O)c3cc(OC)ccc23)CC)c1	4674
+Clc1cccc(Cn2c(c(CC(NN)=O)c3cc(OC)ccc23)CC)c1	743
+c1cc(ccc1C(Nc2c3ccc(Br)cc3n(c2C(=O)OCC)Cc4cccc(Cl)c4)=O)Cl	660
+Clc1cccc(Cn2c(c(N)c3ccc(cc23)Br)C(=O)OCC)c1	13
+c1c2c(c(n[nH]2)N)c(Cl)cc1	575
+Clc1cc(ccc1)Nc2nc(ncn2)Cl	360
+FC(F)(F)c1nc(ncc1C(OCc2ccccc2)=O)Nc3cccc(Cl)c3	55
+Clc1cc(ccc1)NCCC#N	3041
+Clc1cc(ccc1)Nc2ncc(C(=O)OC)c3n(ccc23)C	1504
+Clc1cc(ccc1)Nc2ccn3c(c(cn3)C=O)n2	3042
+c1cc(ccc1)CSc2n3nccc3nc(Nc4cccc(Cl)c4)c2	3042
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)-c3nnc(Nc4cccc(Cl)c4)cc3	1443
+Clc1cc(ccc1)NC(N)=S	1099
+c1cc(ccc1-c2oc(nn2)Nc3cc(ccc3)Cl)O	9083
+Clc1cccc(OCC(F)CCC2C(CC3C2CC(O3)=O)OC4OCCCC4)c1	1646
+Clc1cccc(Oc2cc(ccc2OC)CO)c1	41
+c1c(OC)c(c(cc1Nc2cncc(Oc3cc(ccc3)Cl)n2)OC)OC	1410
+C1CN(CCC1NC(CSc2cccc(Cl)c2)=O)Cc3ccccc3	4232
+Clc1cccc(c1)C(c2cc(Cl)sc2Br)O	9084
+C1CN(CCO1)CCCOc2ccc3c(n(-c4sc(c(n4)-c5cc(ccc5)Cl)C(N)=O)cn3)c2	267
+Clc1cccc(-c2c(OC)ccc(Cn3cc(nc3)-c4cnccc4)c2F)c1	371
+Clc1cccc(-c2c3c(ccc(C(c4cccc(I)c4)=O)c3)nc(OC)c2)c1	1217
+Clc1cccc(c1)-c2onc3ccc(C(c4n(cnc4)C)(c5cnc(Cl)cc5)O)cc23	9085
+c1(C)cccc(C)c1-n2cc(-c3cc(Cl)ccc3)nc2	1444
+Clc1cccc(c1)-c2oc3C=CN(c4ccc(c(C)c4)[N+]([O-])=O)C(c3c2)=O	9086
+c1ccccc1COCCC=Cc2ccc3ncn(-c4nc(c(C(=O)OCC)s4)-c5cccc(Cl)c5)c3c2	9087
+O=S(=O)(C)OCCCCc1ccc2ncn(-c3sc(C(=O)OCC)c(n3)-c4cccc(Cl)c4)c2c1	7
+c1cc(ccc1Nc2nc(nc(c2)CC)-c3cc(Cl)ccc3)CC(=O)N	73
+O(C)C(OC)c1cc(Nc2sc(c(-c3cccc(c3)Cl)n2)C(N)=O)c([N+](=O)[O-])cc1	9088
+Clc1cccc(c1)-c2nn3c(C)nnc3c(C)c2	2102
+Clc1cccc(c1)-c2nnn(n2)C(C)CC(NC)=O	9
+c1cc(ccn1)-c2n(c(CC(n3nc(-c4cccc(c4)Cl)nn3)C)nn2)C	9089
+Clc1cccc(c1)-c2oc3C=CN(c4cc5c[nH]nc5cc4)C(c3c2)=O	1559
+Clc1cccc(c1)-c2oc3C=CN(c4ccc(c(C)c4)N)C(c3c2)=O	0
+Clc1cccc(c1)-c2onc(C(C)O)c2	1394
+c1cc(ccc1)COc2cc(-c3n(C)c(nn3)OC(C)c4cc(-c5cccc(Cl)c5)on4)ccn2	9090
+c1cc(ccc1-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C)C(OC)=O	2511
+Clc1cccc(c1)-c2onc(c2)C=O	178
+Clc1cccc(c1)-c2onc(CO)c2	194
+Clc1cccc(c1)C(=O)c2cc(C(c3n(cnc3)C)(c4cnc(Cl)cc4)O)ccc2N	9091
+Clc1cccc(C2(CCCc3ccc(OC)cc23)O)c1	2157
+c1cc(ccc1C2=C(C(N(N=C2)c3cccc(Cl)c3)=O)Oc4ccc(cc4)F)S(=O)(=O)C	9092
+Clc1cc(ccc1)NC2c3cc(-c4cnn(c4)CCOC)ccc3N(C(C)C2)C(=O)C	250
+FC(F)(F)c1ccc(F)c(-c2c(c(on2)-c3cc(Cl)ccc3)C(=O)c4cccnc4)c1	9093
+n1cc(cnc1)N(c2cc(NC(c3cc(Cl)ccc3)=O)cc(Cl)c2)C	9094
+Clc1cccc(c1)-c2nnc(c3cccnc23)O	9095
+Clc1cccc(-c2cc(N)n[nH]2)c1	1941
+Clc1cccc(c1)C(Nc2nc3c(o2)c(cc(c3)C(=O)N4C(COC(C)(CC(O)C)C4)C)OC)CF	30
+Clc1cccc(c1)C(Nc2nc3c(o2)c(cc(C(=O)O)c3)OC)CF	1
+Clc1cc(C2CO2)ccc1	9096
+c1cc(ccc1C)S(=O)(=O)OCC(O)c2cccc(Cl)c2	36
+c1ccc2c(C(=O)N(C2=O)C(Cc3ncccc3)c4cccc(Cl)c4)c1	2131
+Clc1cccc(c1)Cc2c(Br)sc(c2)Cl	9097
+Clc1cccc(c1)C2=C(C(N(c3nc(C)ccc23)CC)=O)CCCO	21
+Clc1cccc(c1)C2=C(C(N(c3nc(C)ccc23)CC)=O)CCC(=O)O	3
+O=S(=O)(C)OCCCC1=C(c2ccc(C)nc2N(CC)C1=O)c3cccc(c3)Cl	7
+Clc1cccc(c1)C=CC(=O)N2C(CN(CC2)c3nccnc3C#N)CO	21
+Clc1cccc(c1)C=CC(N2C(CN(CC2)c3nccnc3C#N)C(=O)N)=O	83
+Clc1cccc(c1)C=CC(=O)N2C(C(O)=O)CN(CC2)c3nccnc3C#N	4
+Clc1cccc(c1)C=CC(=O)N2CCN(CC2C#N)c3nccnc3C#N	143
+FC(F)(F)c1n2nc(N3CCN(CC3)Cc4cc(Cl)ccc4)ccc2nn1	48
+Clc1cccc(c1)C(O)Cc2ncccc2	9098
+Clc1cccc(CNCCc2ccc3c(c2)NC(=O)C(C)O3)c1	42
+c1ccccc1S(=O)(=O)NC2CN(c3c(cccc3)C2)Cc4cc(Cl)ccc4	3043
+Clc1cccc(CNc2cc(n(C)n2)C(=O)OC)c1	811
+C1Cc2c(ccc(OC)c2)C(=O)c3c1cc(cc3)Cl	358
+Clc1cccc(c1)CCc2c(C(=O)O)nc(o2)C	6
+Clc1cccc(CSc2nnc(o2)-c3cc4c(occ4)cc3)c1	9099
+Clc1cccc(c1)COc2cc3OC(C=C(CCN)c3cc2)=O	9100
+Clc1cccc(c1)COc2cc3OC(C=C(CC#N)c3cc2)=O	9101
+Clc1cccc(C#Cc2nc(C)ccc2N)c1	129
+Clc1cccc(Oc2cc(C=O)ccc2OC)c1	754
+Clc1cccc(C#CCCCCC(c2ncc(-c3ncccc3)o2)=O)c1	121
+c1ccccc1COc2nnc(C#Cc3cc(Cl)ccc3)cc2OCc4ccccc4	129
+Clc1cc(ccc1)N2C(=O)C=CC=C2	3044
+c1cc(ccc1-c2c3c(nn(C)c3cnc2)N)NC(Nc4cc(ccc4)Cl)=O	124
+c1cc(ccc1NC(Nc2cc(ccc2)Cl)=O)-c3c(-c4ccnc5[nH]ccc45)cn(CC)n3	124
+O=S(=O)(c1cc(ccc1)Cl)c2cc(CC(=O)OC)cc(c2)OC	9102
+O=Cc1n(-c2ncccc2Cl)c(Cl)c(Br)c1	2148
+O1CCOC12CCC(CC2)(O)c3ncccc3Cl	938
+Cc1ccc(cc1-c2cc3nnc(-c4c(cccc4)Cl)n3cc2)C(=O)O	3032
+Cc1c(c(-c2ccc(Cl)cc2F)ccn1)C=O	699
+FC(F)(F)c1ccc(cc1)-c2c3c(sc2C)cc(cc3)OCCN(c4nc(ncc4)C)C	54
+c1cc(ccc1F)-n2ccc3cc(ccc23)OCCCCN(C)c4ccnc(n4)C	54
+c12cc(-c3cc(ccc3)[N+]([O-])=O)ccc1c(cn2-c4ccnc(n4)SC)Br	2186
+c1cc(ccc1)-c2c3ncn(c3cc(c2)N(c4nc(ncc4)SC)C)Cc5ccccc5	860
+c1cc([N+]([O-])=O)cc(c1)-c2cc3c(cc2)ccn3-c4ccnc(n4)SC	2186
+c1ccccc1-c2c3ncn(C)c3cc(N(C)c4ccnc(SC)n4)c2	860
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3sc(Br)cc3ncc2	680
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(s3)SC	680
+ON=Cc1cc2nccc(Cl)c2s1	9103
+C1CC1c2c(Cl)ccnc2	2060
+c1cc2c(sc(NC3C(O)CCCC3)n2)cc1Oc4c(Br)cncc4	242
+c1(c(F)c(ccc1)Nc2c([N+]([O-])=O)cncc2)F	179
+Cc1c(cccc1)-c2c([N+]([O-])=O)cncc2	699
+c1ccccc1COc2ccncc2[N+](=O)[O-]	260
+c1csc(c1Cl)C(NC(C(=O)OC)Cc2ccc(CCCc3ccc4c(n3)NCCC4)cn2)=O	2765
+Clc1cn(nc1)-c2ccc(cc2Cl)C(C)C(NN)=O	743
+c1cc(ccc1C(=O)N)N2CCN(CC2)Cc3nc4c(Cl)cc(Cl)cn4c3	4675
+c1cc(ccc1C(C)(C)C#N)C(=O)Nc2nc3n(cc(Cl)cc3)c2	1351
+Clc1cnc(-c2cc(c(cc2)O)F)cc1	5
+Clc1cnc(-n2c(ccn2)N)c(Cl)c1	4360
+Clc1cnc(c(Cl)c1)-n2c(c([N+]([O-])=O)cn2)NC(CC)=O	1733
+FC(F)(C(=O)OCC)c1ncc(Cl)cc1Cl	1796
+c1cc(ccc1C(OC)=O)-c2c(C)cc(Nc3ncc(Cl)c(Br)c3)c(OC)c2	1759
+Clc1cnc(C(=O)C)c(Cl)c1	9104
+c1cc(ccc1C(NCCc2ncc(cc2Cl)Cl)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	14
+Clc1cnc(c(C(=O)OC)c1)-c2cc(F)ccc2	140
+Clc1c[n+](c(c(C(=O)OC)c1)Cl)[O-]	341
+c1cc(ccc1)COCC(C(=O)Nc2cc(cnc2Cl)Cl)Oc3ccc(c(c3F)C(=O)N)F	308
+NC(=O)C1C(Nc2c(c(N)ncc2Cl)[N+](=O)[O-])C3CC1C=C3	105
+O=S(=O)(NC(C=Cc1c(Oc2ncc(Cl)cc2Cl)cc(OCCOC)cc1)=O)CCCCC	4596
+Clc1cnc(Oc2cc(ccc2C=CC(=O)O)OCCOC)c(Cl)c1	108
+Clc1cnc(Oc2cccc(CO)c2)cc1	41
+CCOP(OCC)(Cc1cc(ccc1)Oc2ncc(cc2)Cl)=O	590
+Clc1c[n+](c(-c2cc(F)ccc2)c(C(=O)OC)c1)[O-]	9105
+Clc1cnc(Oc2cc(ccc2C=CC(OCC)=O)OCCOC)c(Cl)c1	136
+c1cc(ccc1Oc2c(Cl)cc(cn2)Cl)OC(C(=O)N3CCCO3)C	136
+n1cc(Oc2cccnc2)cc(OCCOC)c1[N+]([O-])=O	9106
+c1cc(ccc1)Oc2cnc(c(c2)OCCOC)[N+](=O)[O-]	9107
+Clc1cnc(-c2cc(c(cc2)OC)F)cc1	119
+Clc1cnc(cc1)CO	398
+Clc1cnc(cc1)C(Nc2nc(C3(CF)COCC(=S)N3)ccc2)=O	199
+c1cc(cc[n+]1[O-])OCc2ncc(Cl)cc2	1210
+Clc1cnc(cc1)COc2ccnc(O)c2	3045
+Clc1cnc(cc1)COc2ccnc(O)c2	9108
+Clc1cnc(Oc2cccc(C=O)c2)cc1	136
+c1cc(ccc1)-c2ccc(cn2)Cl	140
+Nc1ncc(Cl)cc1I	583
+c1c(ccc(NC(c2c(cccc2)[N+]([O-])=O)=O)n1)Cl	330
+c1ccccc1C2CCCN(C2=O)CC(=O)Nc3ccc(cn3)Cl	142
+n1c(Br)cc(-c2c(nc3n2cc(Cl)cc3)-c4nc(ccc4)C)cc1	9109
+c1ccccc1C(=O)Nc2ccccc2OCC(O)CN3CC(CC3)Oc4ncc(Cl)cc4	170
+c1([N+]([O-])=O)cc(c(OC)cc1F)Nc2nc(-c3cnn4ccccc34)c(Cl)cn2	55
+O=S(=O)(N(C)c1c(cc(Br)cc1)Nc2nc(ncc2Cl)Cl)C	73
+Clc1cnc(nc1SC)Cl	2147
+[N+]([O-])(=O)c1c(cccc1)Oc2nc(ncc2Cl)Cl	185
+n1c(Nc2c(C(NCC)=O)cccc2F)c(Cl)cnc1Cl	73
+c1(c(Nc2c(cccc2)C(=O)NC)nc(nc1)Cl)Cl	73
+c1cc(ccc1)Nc2nc(ncc2Cl)Cl	73
+c1ccc2c(c1)C(=O)N(C2=O)C3COC4C(COC34)Nc5nc(ncc5Cl)Cl	40
+Clc1cnc2ccc(C(Cl)=NO)cc2c1	761
+Clc1cnc2ccc(C=NO)cc2c1	135
+Clc1cnc2nc(NCCO)c(nc2c1)NN	1386
+Clc1cnc2c(c1)n3c(c(NCCO)n2)nnc3	2825
+CC(C)c1nn2c(ccc(C(=O)Nc3c(Cl)cncc3Cl)c2c1)OC	9110
+Clc1cncc(Cl)c1NC(c2ccc(c3oc4ccncc4c23)OC(F)F)=O	9111
+c1c(Cl)c(c(cn1)Cl)NC(c2cccc(C#N)c2)=O	67
+Clc1cncc(Cl)c1NC(c2c3cc(C=O)nn3c(cc2)OC)=O	178
+Clc1cncc(Cl)c1NC(=O)c2ccc(OC)n3nc(cc23)C#N	4676
+Clc1cncc(Cl)c1NC(=O)c2c3n(c(cc2)OC)nc(CO)c3	168
+Clc1cncc(Cl)c1NC(=O)c2c3n(nc(C=NO)c3)c(OC)cc2	688
+Clc1cncc(Cl)c1Sc2c([N+]([O-])=O)cc(s2)C(OC)=O	4539
+Clc1cncc(Cl)c1Sc2c([N+]([O-])=O)cc(C(O)=O)s2	1
+c1cc(ccc1)CN2C(C(=C(Cl)C=N2)Cl)=O	9112
+C1CC(CCN1c2c(ccc(C)n2)C#N)=CC#Cc3cc(F)cc(F)c3	43
+c1(nc(C)ccc1C#N)N	664
+[nH]1nc2c(cnc(C)n2)c1	9113
+FC(F)(F)c1cc(Nc2nc(Cl)nc(Cl)n2)ccc1F	360
+FC(F)(F)c1c(CNC(C2CCN(CC2)c3nc(Cl)nc(n3)Cl)=O)cccc1	436
+c1(Cl)nc(nc(Cl)n1)Nc2cc(Cl)c(F)cc2	360
+c1(Cl)nc(nc(Cl)n1)NC2C(OC)Cc3c2cccc3	387
+Clc1nc(nc(Cl)n1)Nc2ncn(CCc3ccccc3)c2	3555
+c1(Cl)nc(nc(Cl)n1)N(C)c2ccccc2	3036
+c1cc(ccc1N(C)CCOc2nc(Cl)nc(n2)Cl)-c3sc4c(cccc4)n3	2221
+c1(Cl)nc(nc(Cl)n1)Nc2ccc(NC(C)=O)c(OCc3ccccc3)c2	360
+c1(Cl)nc(nc(Cl)n1)Nc2ccc(OCc3ccccc3)c(Cl)c2	360
+Clc1ncc(Br)c(Nc2n[nH]c(C)c2)n1	349
+Clc1ncc(Br)c(O)n1	1173
+c1(cc(C(c2cnc(nc2Cl)Cl)O)ccc1)Br	4677
+n1c(NCCCNC(Nc2cc([N+]([O-])=O)ccc2)=O)c(cnc1Cl)Br	40
+c1ccccc1C(C)Nc2c(cnc(Cl)n2)Br	40
+C1CN(CCC1Nc2c(Br)cnc(Cl)n2)Cc3ccccc3	40
+c1c2c([nH]cc2-c3nc(ncc3C)Cl)ccc1	4678
+Clc1ncc(F)c(O)n1	1173
+c1(cc2c(OCCO2)cc1)Nc3c(F)cnc(Cl)n3	73
+c1(cc(c(F)cc1-c2c(F)cnc(n2)Cl)F)F	198
+Clc1ncc(F)c(C)n1	9114
+c1cc(N)c(Nc2c(F)cnc(n2)Cl)cc1	73
+C1CCC1N(CC(F)(F)C(=O)OCC)c2c(cnc(Cl)n2)[N+]([O-])=O	54
+C1CCCC1N(CC(F)(F)C(=O)OCC)c2c(cnc(Cl)n2)[N+]([O-])=O	54
+Nc1c(cnc(Cl)n1)[N+](=O)[O-]	266
+Clc1ncc(c(NC)n1)[N+](=O)[O-]	40
+O=S(=O)(c1ccccc1Nc2c(cnc(n2)Cl)[N+](=O)[O-])NC	73
+c1cc(ccc1Nc2c(cnc(Cl)n2)[N+](=O)[O-])I	73
+c1cc(ccc1OCC)Nc2c(cnc(Cl)n2)[N+](=O)[O-]	73
+c1cc(ccc1Nc2c(cnc(Cl)n2)[N+](=O)[O-])OC	73
+c1cc(nc(c1)Cl)N(c2ccnc(n2)Cl)C	9115
+Nc1cc(nc(SC(c2ncc3c(c2)cccc3)C)n1)Cl	9116
+c1c2nc(C(=O)OCC)cn2c(Cl)cc1	1959
+O(c1c(OC)ccc(c1)-c2ccnc(n2)N)C	511
+c1(cc(F)ccc1)-c2cc(Cl)nc(n2)C	198
+c1(nc(nc(Cl)c1)-n2c3cccc(c3nc2C(F)F)OC)Cl	1098
+n1c(nc(cc1Nc2cc3c[nH]nc3cc2)Cl)Cl	73
+c1ccccc1C=Cc2cc(Cl)nc(Cl)n2	4679
+c1(cc(Cl)c(F)cc1)-c2cc(nc(Cl)n2)Cl	198
+c1cc(ccc1)-c2cc(nc(Cl)n2)Cl	198
+c1(Cl)nc(nc(Cl)c1)Nc2ccccc2	55
+c1cc(ccc1C(C)Nc2nc(Cl)cc(n2)Cl)F	96
+c12c3ccccc3n(c1cccc2)-c4nc(Cl)cc(n4)Cl	9117
+O=S(=O)(C)c1nc(cc(N2CC3CC2CO3)n1)Cl	54
+c1(cc(cc(F)c1-c2c(Cl)nc(nc2Cl)-n3ccnc3)F)F	937
+c1cc(ccc1Br)N2CCOc3nc(nc(Cl)c3C2=O)C	145
+c1cc(ccn1)CN2c3c(CC2=O)c(Cl)nc(N)n3	9118
+n1c(nc(c(F)c1Nc2cc(C)[nH]n2)Cl)Cl	349
+N(c1nc(nc(Cl)c1N)N)C2CCOc3c(F)cccc23	40
+C1CC1c2nc(Cl)c(c(NS(=O)(=O)c3ncc(cc3)C(C)C)n2)Oc4c(cccc4)OC	570
+Cc1nc(Cl)nc(N)n1	1342
+S(c1nc(C)nc(Cl)n1)C	9119
+c1(cc(cc(Cl)c1)Nc2nc(NC)nc(n2)Cl)Cl	360
+C1CC1Nc2nc(nc(Cl)n2)N	1342
+c1nc(ncc1F)C(Nc2nc(Cl)nc(Nc3ncn(CC#N)c3)n2)C	387
+c1cc(ccc1)CCn2cc(nc2)Nc3nc(NC(c4ncc(cn4)F)C)nc(n3)Cl	387
+c1(-n2cc(nc2)CO)c(cc(cc1)Nc3nc(nc(Cl)n3)OC)OC	360
+c1(c(c(nc(SC)n1)N)C#N)NC(C)c2nc3c(cc2-c4cscn4)n(cc3)C	40
+c1cc(ccc1Cl)Nc2nc(Cl)nc3n(cnc23)CC	1545
+C1CCCC(n2c3nc(nc(Cl)c3cn2)Cl)O1	1846
+Clc1c(cc2ccccc2n1)C(Nc3ccc(C(OC)=O)nc3)=O	1549
+n1cc(cnc1C(C)Nc2nc(c(Br)cn2)Nc3n[nH]c(C)c3)F	3927
+c1cc(ccc1Nc2ncc(c(n2)O)Br)SC	55
+CC(C)(c1nc(ncc1F)Cl)O	9120
+Brc1c(cccc1)CN2C(=NC=C(F)C2=O)Cl	9121
+OC(CN=[N+]=[N-])Cn1c(Cl)nc(c1)[N+](=O)[O-]	2930
+Nc1c(NC)nc(Cl)nc1	193
+Nc1c(O)nc(Cl)nc1	193
+n1cccnc1N2CCN(CC2)c3ncc(c(SCC(OC)=O)n3)[N+](=O)[O-]	117
+c1c(N)cc(-c2c3c(sc2)cnc(Cl)n3)cc1	4680
+c12c(scc1C(Nc3ccc4c(n3)ccnc4)=O)cnc(Cl)n2	9122
+Ic1[nH]nc2c1cnc(Cl)c2	4667
+C1CCCC(n2c3c(cnc(Cl)c3)cn2)O1	580
+COc1cc(cc(OC)c1)-c2ncc3c([nH]nc3)c2	1165
+FC(F)Cn1ncc(Nc2ncc3c([nH]nc3)n2)c1	486
+C(c1cccc([N+]([O-])=O)c1)n2ncc3cnc(nc23)Cl	1485
+COc1cc(ccc1-c2cc(Cl)ncc2)F	835
+c1(c(F)c(ccc1)-c2cc(Cl)ncc2)F	835
+c1ccccc1C(C)Nc2cc(ccn2)Br	70
+c1cc(ccc1C2N(c3ccnc(c3)Cl)CCC2)F	1465
+FC(F)(F)c1ccc(O)c(NC(c2cc(Cl)ncc2)=O)c1	67
+FC(F)(F)c1cccc(CNC(c2cc(ncc2)Cl)=O)c1	14
+FC(F)(F)c1cnc(Nc2nccc(c2)C(O)=O)cc1	346
+NC(=S)NNC(c1ccnc(Cl)c1)=O	3046
+c1(cc(Cl)ncc1)-c2nc3c([nH]2)ncc([N+]([O-])=O)c3	2245
+NNc1nccc(C)c1	383
+c1cc(ccc1C(Cc2cc(Cl)ncc2)=O)F	9123
+n1ccc(nc1Nc2cc(Br)cc(C)c2)C	55
+c1c(F)c(c(cc1)F)C(Nc2cccc(C(Cc3ccnc(Cl)n3)=O)c2)=O	1501
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2cccc(c2F)C(=O)Cc3ccnc(n3)Cl	4559
+N1(CCNC1=O)c2ccnc(Cl)c2	1760
+O(c1ccnc(Cl)c1)c2cnc(cc2)[N+]([O-])=O	706
+FC(F)(F)Oc1ccc(cc1)Cc2nccc(C(OC)=O)c2	9124
+c1(cc(c(F)cc1)C#N)-c2cc(ccn2)C(=O)OC	4681
+c1ccccc1COc2ccc(-c3nccc(C(OC)=O)c3)cc2C#N	4681
+CC(C)COc1ccc(cc1C#N)-c2nccc(C(OC)=O)c2	140
+c1ccccc1S(=O)(=O)C2CN(c3n(nc(C)c3)-c4cc(Cl)ncc4)C(C2)C(=O)OC	4682
+c1c(Oc2ccnc(Cl)c2)c(F)cc(N)c1	3511
+c1c2CCC(Cc2ccc1C(=O)OC)Oc3ccnc(Cl)c3	1895
+c1ccccc1COc2cc(Cl)ncc2	1895
+c1(NC(C)=O)c2[nH]ccc2ccn1	9125
+c1ccccc1C(c2ncccc2)C#N	9126
+n1c(Br)n2c(c(N)ncc2)c1Br	522
+C1(N(c2c(F)c(ncn2)Cl)CC(C)CCC1)C	54
+FC(F)(F)c1c(CNC(=O)C2CCN(CC2)c3ncnc(Cl)n3)cccc1	436
+c1c(OC)c(c(cc1Nc2nc(Cl)ncn2)OC)OC	360
+O=S(=O)(Cc1cccc(c1)Nc2nc(Cl)ncn2)N	360
+S(C)(Cc1cccc(c1)Nc2nc(ncn2)Cl)(=O)=NC(OCC)=O	360
+c1c(ncnc1N)-c2ccc(cc2OC)F	198
+Nc1cc(ncn1)-c2c(cccc2)OC	198
+Nc1cc(ncn1)-c2ccccc2OCC	198
+c12cc(Oc3ncnc(N)c3)ccc1[nH]cc2	185
+c1ccccc1Oc2ncnc(N)c2	185
+O1C(=O)Nc2ncc(C=CC(=O)N(C)Cc3c4ccccc4n(C)c3)cc12	9127
+O=C1c2ccccc2C(=O)N1CCCCN(C3c4c(CCC3)cccn4)Cc5nc6ccccc6n5C	566
+n1(C)c(C(c2c(c(Cl)c(c(c2)OC)OC)Cl)O)ccn1	4586
+O=S(=O)(Cl)c1cnn(c1)C	9128
+C1Cc2c(-c3c1c(sc3OCC)C(=O)O)n(C)nc2	6
+FC(F)(F)c1cc(nc(c1)F)C#N	2250
+O(c1c(ncc(F)n1)C(=O)N)C	9129
+c1cc(ccc1)COCC(c2c(cc(Br)cc2)C)CF	2831
+O=S(=O)(c1cc(ccc1Cl)[N+]([O-])=O)F	4683
+O1C(N(c2ccnc(F)n2)C(C(C)F)C1)=O	9130
+c1(Br)c(Cl)ccc(F)n1	3574
+c1(c([N+]([O-])=O)cc(C)c(F)c1)OC	9131
+c1(c(c([N+]([O-])=O)ccc1)F)C	9132
+c1c(cc2c(F)c(cnc2c1)-c3cnn(C)c3)Br	4356
+c1cc(ccc1-c2ccc(CCCCCCCC)c(n2)F)OCCCCCCCC	2250
+c1ccccc1C(CF)C	9133
+c1cc(ccc1-c2nc3ccccc3c(F)c2)N	9134
+c1cc(ccc1S(=O)(=O)C(c2cc(ccc2F)F)CCCCF)Cl	9135
+O=S(=O)(c1ccc(cc1)CC(O)=O)F	4683
+O=S(=O)(CCCCCCCc1ccc(cc1)OCc2ccccc2)F	9136
+n1cc(c2cc(OC)c(cc2c1F)F)OC	2250
+FC(F)(c1c(cc(c(C)c1)NC(=O)C)F)C(=O)OCC	4433
+FC(F)(c1ccc(cn1)C)C(=O)OCC	1796
+c1ccccc1CC(C(C(F)(F)C(=O)OCC)O)NC(=O)OCc2ccccc2	9137
+FC(F)(C(=O)OCC)c1ccccn1	1796
+FC(F)(c1ccccc1)CNc2ccc(c(CCO)c2F)Cl	15
+FC(F)(F)c1cc(OC(F)F)nc2n3c(ccc12)nc(-c4ocnn4)c3	9138
+FC(F)(F)c1cc(c(cc1)F)OC(F)F	824
+FC(F)Oc1c(cc(C=O)cc1)C	824
+FC(F)Oc1c(OC)cc(cc1)C=O	824
+FC(F)Oc1c([N+]([O-])=O)ccc(c1)F	824
+FC(F)Oc1ccc(cc1C)Br	824
+FC(F)Oc1c(F)cc(cc1)Br	824
+FC(F)Oc1cnc(Br)cc1	9139
+c1cc(ccc1-c2nc3ccc(COc4ccc(cc4)C(CC(=O)OCC)C#CC)cn3n2)OC(F)F	824
+FC(F)Oc1cc(OC)c([N+](=O)[O-])c(c1)-n2cc(C)nc2Br	824
+FC(F)OCCCc1cc(cc(c1C)Br)C(OC)=O	4684
+c1cc(ccc1)C(N2C(=O)c3c(cccc3)C2=O)COC(F)F	4684
+c1ccccc1CN(Cc2ccccc2)C(COC(F)F)C(=O)OC	9140
+FC(F)(OC)C(F)(F)C(=O)N	327
+FC(F)(c1ncccc1)CO	44
+FC(F)(CO)c1ncc(C)cc1F	44
+FC(F)(CO)c1ncc(cc1Cl)Cl	44
+FC(F)(C(C)=C)CCCCCCCCCCCCCCCC	9141
+FC(F)(CCO)C(C)(C)OC(C)OCC	59
+FC(F)(C(F)Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1O	26
+FC(F)(C(F)Cl)C(=O)Nc1c(cc(cc1)N)O	0
+FC(F)(COc1ccc(cc1)C=O)C(F)F	57
+FC(F)(Oc1cc(ccc1)Nc2nccc(n2)-c3ccnc(C#N)c3)C(F)F	4685
+FC(F)(c1nc(O)c2ccccc2n1)c3ncc(F)cc3	1677
+FC(F)(c1ccc(F)c2ccccc12)C(=O)Nc3c(F)c(c(cc3)N)CCO	59
+FC(F)(C)c1n(c(nn1)C)C2CCN(CC2)Cc3ccccc3	3762
+FC(F)(C)C(=O)NC(C)C(Oc1cc2c(n(-c3cc(Br)ccc3)nc2)cc1)c4ccc(OC)nc4	9
+c1cc(ccc1-n2ncc3cc(ccc23)OC(c4cccc(OC)c4)C(NC(=O)C(F)(F)C)C)Cl	9
+FC(F)(CNCCO)C	15
+FC(F)(C=CC(O)=O)C	108
+C1CC2(CC2)CCN1C(=O)NC(CC(F)(F)C)C(O)=O	4
+FC(F)(C)COc1ncc(cc1C)CN2Cc3c(ccnc3Cl)C2=O	3047
+FC(F)(C)COc1c(cc(cn1)CN)C	45
+FC(F)(C)COc1c(cncn1)CN	9142
+FC(F)(C)c1cc(c(C(=O)OC)cc1I)N	184
+FC(F)(C)c1n(C2CCNCC2)c(nn1)C	25
+FC(F)(c1nn2cc(nc2s1)C(Nc3c([N+]([O-])=O)cccc3O)=O)C	9143
+FC(F)(C)c1sc2nc(cn2n1)C(=O)O	6
+FC(F)(SCC)C(Cn1cncn1)(O)c2c(F)cc(cc2)F	1377
+FC(F)(CCC(=O)O)Cl	3
+FC(F)(CCOS(=O)(=O)c1ccc(cc1)C)C(C)(C)OC(OCC)C	36
+FC(F)(C(C)(C)OC(C)OCC)CCI	1319
+FC(F)(c1ccc(C)cn1)CN=[N+]=[N-]	1445
+c1cc(ccc1-c2n(-c3c(Cl)cccc3)nc(c2OC(=O)C)C(=O)N(CCO)CC(F)(F)C)Cl	147
+FC(F)(CNc1c(F)c(c(cc1)Cl)CC=O)c2ccc(c3ccccc23)F	24
+FC(F)(CNc1ccc(C#N)c(CC(=O)O)c1F)c2ccc(cn2)C	3
+FC(F)(C)COc1ncncc1C#N	145
+c1cc(ccc1)C(NC(NC2(c3c(OCC24CC4)ccc(Br)c3)C(F)(F)CO)=S)=O	1993
+c1cc(ccc1)COCC(F)(F)CO	149
+FC(F)(F)S(=O)(=O)OCC(F)(F)c1ncc(cc1F)C	1932
+FC(F)(c1ncc(Cl)cc1Cl)CN	9144
+FC(F)(COc1ccc(cc1)CN2CC3N(CC2C3)Cc4ccc(cc4)C(=O)OC)C(F)F	48
+c1cc(ccc1C(=O)O)CN2C3CC(N(Cc4ccc(cc4)OCC(F)(F)C(F)F)C3)C2	1
+FC(F)Oc1ccc(-c2n3nc(C)c(-n4nc(C)nc4C)c3oc2C)c(c1)C	9145
+FC(F)(F)C(c1cc(C)c(c(C)c1)NC(c2cccc([N+]([O-])=O)c2)=O)=C	50
+FC(F)(F)C(=C)c1cc(C)c(c(C)c1)NC(=O)c2cccc(c2)NC(=O)c3c(C)cccc3	67
+FC(F)(F)C1(CC(=NO1)c2cc3c(cccc3Cl)s2)c4cc(Cl)cc(Cl)c4	3048
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c4CCCCc4c(C(OC)=O)s3)C1	3048
+FC(F)(F)C=1NC(N(C(C=1)=O)c2c(F)cc(c(OCC)c2)Br)=O	4686
+FC(F)(F)C1=CC(N(C(=O)N1)c2ccc3c(c(ns3)-c4cc(C)c(OC)cc4)c2)=O	2375
+FC(F)(F)C1(ON=C(C1)c2sc(c3c2CCC3)C(OC)=O)c4cc(Cl)c(c(Cl)c4)F	3048
+FC(F)(F)C(Cl)=CC1C(C)(C)C1C(=O)OCc2c(c(F)nc(c2Cl)F)Cl	204
+FC(F)(F)C(=Cc1cc(c(cc1)C(O)=O)C)C	6
+FC(F)(F)C(C=Cc1ccc(cc1)O)=O	964
+FC(F)(F)c1nc(c(-c2ccc(cc2)F)nc1)O	2989
+FC(F)(F)c1c(C)c(ncn1)O	9146
+FC(F)(F)c1nc2c(N)cccn2c1	9147
+FC(F)(F)C1(CN(c2ccc(cc2)S(=O)(=O)C)C(c3ccccc3)=N1)O	9148
+FC(F)(F)C1(CN(C(c2ccc(cc2)C)=N1)c3ccc(cc3)S(=O)(=O)C)O	4687
+FC(F)(F)C1(O)N=C(N(c2ccc(cc2)S(=O)(=O)C)C1)c3cc(Cl)c(C)cc3	4687
+FC(F)(F)c1nc(sc1)C(NC(=O)OCc2ccccc2)C	9149
+FC(F)(F)c1nc2cnccn2c1	9150
+FC(F)(F)c1n[nH]c(C)c1	4688
+FC(F)(F)C(c1c(-c2ccccc2)c3c(sc(Cl)c3)nc1C)=O	4005
+FC(F)(F)c1nn(-c2ccc(cc2)CCO)c(C)c1	9151
+FC(F)(F)c1cc(C2CC2)n[nH]1	4688
+FC(F)(F)c1c(C(=O)OCC)cc2ccc(C(F)(F)F)nc2n1	9152
+FC(F)(F)c1cc(nc2nc(N)ccc12)O	9153
+FC(F)(F)c1cc(nc2c(C(=O)OC)cnn12)-c3ccc(cc3)OC	9154
+FC(F)(F)c1cc(-c2ccc(cc2)C)n(-c3ccc(F)c(Cl)c3)n1	2251
+FC(F)(F)C(N(C1CCC(CC1)=O)C(C)c2ccccc2)=O	97
+N(C)c1ccc2nc(oc2c1)C	1761
+C1CC1NC2CCN(CC2)C(OC3(CC3)C)=O	318
+C1C(CCCN1CCN2C(=O)C=Cc3ncc(F)cc23)CNCc4ncc5c(OCCO5)c4	318
+FC(F)(F)C(N(CC1CNCCC1)Cc2cc3c(cn2)OCCO3)=O	2
+FC(F)(F)C(=O)N(c1cc([N+](=O)[O-])ccc1C(=O)Nc2c3c(n[nH]2)ccc(Cc4cc(F)cc(c4)F)c3)C5CCOCC5	650
+FC(F)(F)C(N(c1c(C(=O)Nc2c3c(n[nH]2)ccc(Cc4cc(F)cc(c4)F)c3)ccc(N)c1)C5CCOCC5)=O	0
+FC(F)(F)C(=O)N(c1cc2OCC(CC(OC)=O)c2cc1)C3CCc4c(Nc5cc(ccc5N)F)cccc34	0
+c1cc(ccc1NC)C#CCCCO	1761
+N#Cc1c(NC)cccc1	1761
+FC(F)(F)C(N1C2CC(CC1CC2)C3c4ccccc4Oc5c3ccc(c5)Br)=O	4689
+C1C2CCC(CC1c3ccnc4n3nc(-c5ccncc5)c4I)N2	318
+CC1c2c(CCNC1)cc(OCC=C)c(c2)Br	318
+FC(F)(F)C(N1CCc2cc(O)c(cc2C(C)C1)Br)=O	5
+FC(F)(F)c1oc(cc1)COc2ccc(Br)cc2CC3CNC3	318
+FC(F)(F)C(N1CC(C1)Cc2cc(ccc2O)Br)=O	5
+FC(F)(F)C(N1CCCC(C1)c2c(NC(OCC)=O)c([N+]([O-])=O)ccc2)=O	2166
+FC(F)(F)C(=O)N1CC(c2cccc3[nH]cc(Cl)c23)CCC1	573
+C1CNCCC1C2=NCCc3cc(OC)ccc23	318
+FC(F)(F)CN1CCC(CC1)c2ccc(cc2)[N+]([O-])=O	9155
+FC(F)(F)C(=O)N1CCN(C(=O)C1)c2ccc(cc2)S(=O)(=O)Nc3sccn3	1140
+O=S(=O)(c1ccc(cc1)N2C(CNCC2)=O)Nc3sccn3	9156
+C1CN(CCN1)C(=O)c2sccn2	318
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N4CCN(CC4)C(C(F)(F)F)=O	1499
+O=S(=O)(c1ccc(cc1)N2N=C(c3cc4c(cc3)CCNCC4)C=CC2=O)C	318
+O(c1cccc(OC)c1)Cc2cc3CCNCCc3cc2	318
+N1Cc2cc(ccc2CC1)CC(OC)=O	318
+FC(F)(F)C(N1CCc2c(CC1)ccc(c2)Oc3ncc(C(N)=O)cc3)=O	136
+FC(F)(F)C(N1CCc2c(CC1)cc(cc2)[N+]([O-])=O)=O	77
+FC(F)(F)C(=O)N1c2ccc(Br)cc2NCC1C	2252
+FC(F)(F)C(=O)N1C(C)CN(c2c1ccc(c2)Br)C(=O)c3c(F)cccc3	448
+C1CN(CCS1(=O)=N)c2ncc(cc2)C#N	4690
+FC(F)(F)C(=O)NC(C(NCCCC#Cc1ccccc1N)=O)CC	121
+c1c2ccccc2n(c1CCCNC(C(N)CC)=O)C	4691
+FC(F)(F)C(NC(C)Cc1cc(OC)ccc1OC)=O	165
+FC(F)(F)C(=O)NC(C(NCCCc1[nH]c2c(c1)cccc2)=O)CC	2112
+c1([nH]c2c(c1)cccc2)CCCNC(C(N)CC)=O	4691
+O=S(=O)(Nc1c(OCc2ccccc2)ccc(C(C(N)C)O)c1)C	399
+FC(F)(F)C(=O)NC(C(O)c1cc(NS(=O)(=O)C)c(cc1)OCc2ccccc2)C	80
+FC(F)(F)C(NC(C)Cc1ccc(cc1)Sc2ccc(cc2)OC)=O	826
+c1ccccc1C(N)COCC=C	399
+FC(F)(F)C(=O)NC1CCCN2C1c3c(cc(cc3)F)Oc4cc(c(cc24)C#N)F	180
+FC(F)(F)C(NC1CCN(CCC1)c2n(ncc2[N+](=O)[O-])CC(F)F)=O	959
+c1cc(ccc1Cl)NS(=O)(=O)c2ccc(c3CC(COc23)N)OC	399
+FC(F)(F)C(=O)NC1COc2c(ccc(OC)c2C1)S(=O)(=O)Nc3ccc(cc3)Cl	69
+FC(F)(F)C(=O)NC1Cc2c(cc(c(CC)c2)CC)C1	165
+c1cc2c(C(CCC2O)N)cc1F	399
+FC(F)(F)C(=O)NCC#Cc1cc(ccc1)N	0
+FC(F)(F)C(NCC1C2C(CC(C)C2)CN1)=O	2
+CC(C)(C)OC(N1C(CN)CCC(C)(C)C1)=O	399
+FC(F)(F)C(=O)NCC1CCC(CC1)Nc2c3cc(OC)ccc3nc(n2)C=Cc4ncccc4	40
+FC(F)(F)C(=O)NCC1CCC(CC1)N	12
+C1CC(CCC1Nc2c3cc(OC)ccc3nc(n2)C=Cc4ncccc4)CN	399
+C1CC2C(N(C(=O)c3nc(N)sc3-c4cc(F)ccc4)C1C2)CN	399
+C1C2C(CC(C)C2)C(CN)N1C(=O)c3nc(C)sc3-c4cc(C)ccc4	399
+c1cc(ccc1)COC(N2CC(OCC2)CN)=O	399
+FC(F)(F)C(NCC1CN(CCO1)Cc2ccc(Cl)c(Cl)c2)=O	171
+FC(F)(F)C(=O)NCC1OCCN(C1)C(=O)OCc2ccccc2	66
+C1CC2CN(CC1N2CCCCN)c3ccc(cc3)Cl	399
+C(CN(CCCCCCC(OCC)=O)C)N	399
+FC(F)(F)C(=O)NCCN(C)CCCCCCC(OCC)=O	28
+FC(F)(F)C(=O)NCCc1nc(-c2ccc(cc2)C#N)oc1	160
+c1cc(ccc1C#N)-c2occ(n2)CCN	399
+FC(F)(F)C(=O)NCc1cc(c(cc1F)Cl)C=2NN(c3cc(c(cc3)C)Cl)C(=O)N=2	9157
+FC(F)(F)C(=O)NCc1cc(c(Cl)cc1F)C(=O)N	169
+NCc1cc(c(cc1F)Cl)C2=NC(N(N2)c3ccc(c(Cl)c3)F)=O	399
+C1CC1C#Cc2cc(c(cc2)N3C(=O)N=C(c4c(Cl)ccc(c4)CN)N3)F	4692
+FC(F)(F)C(=O)NCc1ccc(c(C2CCN(CC2)C(c3c4c(n(CCOC(F)(F)F)c3)cccc4Br)=O)c1)F	211
+FC(F)(F)C(NCc1cc(C2CCN(CC2)C(=O)c3cn(c4c3c(C)ccc4F)CCOC)c(cc1)F)=O	211
+FC(F)(F)C(Nc1c(c(N)c(cc1)O)C)=O	0
+FC(F)(F)C(=O)Nc1cc(N(C)c2ccc(cn2)[N+]([O-])=O)ccc1F	9158
+c1cc(ccc1)-c2c(c(OC)c(c(C#N)c2C)N)F	630
+FC(F)(F)C(=O)Nc1c(C)c([N+]([O-])=O)c(O)cc1	5
+FC(F)(F)C(=O)Nc1c(c(C)c(-c2ccccc2)c(c1OC)F)C#N	134
+Nc1cccc2CCOc12	630
+C1CCCN1C(Cc2cc(n(CC)n2)N)=O	4693
+FC(F)(F)C(=O)Nc1cc(N(C)c2ncc(cc2)N)ccc1F	13
+FC(F)(F)C(=O)Nc1cc(ccc1F)N(c2nc3c(nc(N)s3)cc2)C	4542
+C1CC1C(Nc2nc3c(nc(N(c4ccc(c(N)c4)F)C)cc3)s2)=O	630
+FC(F)(F)C(=O)Nc1cc(Oc2cc3sc(NC(C)=O)nc3cc2)ccc1	290
+c1cc2nc(NC(C)=O)sc2cc1Oc3cc(N)ccc3	630
+FC(F)(F)C(Nc1ccn2c(c(cn2)Cl)c1)=O	9159
+FC(F)(F)c1n(nnn1)-c2c(cc(cc2)OC)Br	9160
+N(C)(c1cc(Cl)c(N)cc1)Cc2sc(cc2)Cl	630
+Nc1ccc2c(nco2)c1C	630
+FC(F)(F)C(Nc1cc(ccc1)-c2nn3ccccc3c2-c4nc(Cl)ncc4)=O	4694
+c1c(cccc1Nc2nc(ccn2)-c3c(-c4cccc(N)c4)nn5ccccc35)F	630
+FC(F)(F)C(=O)Nc1cccc(C#Cc2nc(ncc2)Cl)c1	838
+n1ccn2cc(nc2c1)N	4695
+c1n2nc(ccc2nc1N)Cl	4695
+FC(F)(F)c1nc(-c2cc(C(O)=O)ccc2)no1	9161
+FC(F)(F)C(=O)N1Cc2c(CC1)cc(cc2)OCC	520
+FC(F)(F)c1[nH]c2C(NC(=O)N(c2n1)CCCCC)=O	9162
+FC(F)(F)C(=O)Nc1c(Br)nc(cc1)-c2cc3cnn(c3cc2)C	9163
+FC(F)(F)C(Nc1ccc2nc(C)oc2c1)=O	759
+FC(F)(F)C(=O)Nc1ccc(OC)cc1Br	759
+FC(F)(F)C(=O)N1c2c(cc(Br)cc2)N(CC1C)S(=O)(=O)c3ccc(cc3)C	1326
+[O-][N+]1=CC=C2C(C3(C(=O)N(CCCCC)c4ccccc34)CO2)C1=O	9164
+FC(F)(F)C(c1c[nH]c2cc(ccc12)[N+](=O)[O-])=O	531
+FC(F)(F)C(c1cn(c2cc([N+](=O)[O-])ccc12)C)=O	531
+FC(F)(F)C(NCCc1cccc([N+]([O-])=O)c1)=O	659
+FC(F)(F)C(=O)c1c[nH]c2cccc(Br)c12	531
+FC(F)(F)C(=O)c1c[nH]c2cccc(Cl)c12	531
+FC(F)(F)C(c1c[nH]c2c1c(F)ccc2Br)=O	531
+FC(F)(F)C(c1c(C)[nH]c2c1ccc(c2)OC)=O	531
+FC(F)(F)C(=O)c1cn(CCOC)c2c(F)ccc(C)c12	531
+FC(F)(F)C(Nc1c2c(ccc(c2)C(=O)c3cc(F)cc(c3)F)[nH]n1)=O	9165
+FC(F)(F)C(=O)Nc1cccc(c1)C#C	759
+FC(F)(F)C(Nc1cc(Oc2c(cc([N+]([O-])=O)cc2)C#N)c(cc1F)Cl)=O	759
+FC(F)(F)C(=O)NCCc1c(c(ccc1)Br)CC	659
+FC(F)(F)C(c1c[nH]c2cc(ccc12)Br)=O	531
+FC(F)(F)C(N(CCOc1c(N)c([N+](=O)[O-])ccc1)CCCc2c3c(cccc3)[nH]c2)=O	520
+FC(F)(F)C(=O)Nc1c(c([N+]([O-])=O)c(cc1)OC)C	759
+FC(F)(F)C(Nc1c(c(c(OC)cc1)[N+](=O)[O-])CC)=O	759
+FC(F)(F)C(N1CCc2c1cc(cc2)[N+]([O-])=O)=O	1326
+FC(F)(F)C(=O)NC(CO)c1ccccc1	659
+FC(F)(F)C(NC(C(Oc1cc2c(n(-c3ccc(cc3)F)nc2)cc1C)c4ccccc4)C)=O	659
+FC(F)(F)C(NCCc1ccn(c1)S(=O)(=O)c2ccccc2)=O	659
+FC(F)(F)c1nc(-c2ccc(cc2)CC(=O)OC)no1	9166
+FC(F)(F)C(=O)N1CCC(CC1)c2ccc(cc2)C(=O)O	520
+FC(F)(F)C(Nc1ccc(cc1)CCO)=O	759
+FC(F)(F)C(N(C)C1CN(CC1)c2ccc(cc2)[N+]([O-])=O)=O	520
+FC(F)(F)C(Nc1cc(ccc1)Oc2ccc(cc2)[N+]([O-])=O)=O	759
+FC(F)(F)C(=O)NC1CCCc2c1cc(cc2)F	659
+FC(F)(F)C(Nc1ccccc1C#N)=O	759
+FC(F)(F)C(=O)NCC1CCC(C)(C)CN1Cc2ccccc2	659
+FC(F)(F)C(=O)Nc1cc2ccnn2cc1	759
+FC(F)(F)C(=O)NNc1nccnc1Cl	9167
+FC(F)(F)C(CC(=O)c1cc(F)c(c(F)c1)SC)=O	1219
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(=O)OCC)c1	9168
+FC(F)(F)C(=O)NCC1OCCNC1	605
+FC(F)(F)C(=O)C(C#N)c1cc2OCOc2c(Cl)c1	9169
+FC(F)(F)C(=O)NC1C2N(c3cc(c(F)cc3Oc4cc(ccc24)F)Br)CCC1	605
+FC(F)(F)C(=O)NCCC(O)c1cc(ccc1)Br	605
+FC(F)(F)C(=O)CC(=O)c1cc(Br)ccc1	1219
+FC(F)(F)C(c1ccc(Br)cc1-n2ccc(n2)C)=O	9170
+FC(F)(F)C(=O)CC(=O)c1ccc(cc1)OC	1219
+FC(F)(F)C(NC(C(O)c1ccc(cc1)O)C)=O	605
+FC(F)(F)C(CC(=O)c1ccc(cc1)-c2cocn2)=O	1219
+FC(F)(F)C(=O)CC(c1ccc(cc1)C)=O	1219
+FC(F)(F)C(CC(c1ccc(cc1)CN=[N+]=[N-])=O)=O	1219
+FC(F)(F)C(NC1Cc2ccccc2C1)=O	605
+Fc1cc(cc(F)c1)C(C(O)c2cc(C)c(cc2)OC(F)F)=O	4696
+Fc1cc(cc(F)c1)C(C(c2ccc(cc2)OC(F)F)O)=O	4696
+CC(C)n1c2cc(OC)ccc2c(C(=O)O)c1	827
+FC(F)(F)C(=O)c1cn(CCOC(F)(F)F)c2cccc(Br)c12	9171
+FC(F)(F)Cn1c2cccc(c2c(C(=O)C(F)(F)F)c1)Cl	9172
+FC(F)(F)C(O)(c1cc(C(=O)OCC)n(CC=C)c1)c2ccc3c(c2)cnn3-c4ccc(cc4)F	9173
+c1(c2c(cccc2Cl)n(CC3CCCO3)c1)C(=O)O	827
+c1(c2c(n(CCOC)c1)cccc2Cl)C(=O)O	827
+CC(C)n1cc(c2ccc(C)cc12)C(=O)O	827
+FC(F)(F)c1scc(-c2ccccc2O)n1	9174
+FC(F)(F)C(O)(CC)c1oc(nn1)N	1517
+FC(F)(F)C(c1nnc(N)o1)(O)C	1517
+FC(F)(F)C(C(=O)OCC)(CC(c1cccc(c1OC)F)CCC)O	191
+FC(F)(F)C(C=O)(CC(c1cccc(F)c1OC)CCC)O	578
+FC(F)(F)c1nc2ccc(I)nn2c1C	4697
+FC(F)(F)c1c(n2nc(ccc2n1)Cl)C	4697
+FC(F)(F)C(=O)C(C)(C)C(c1cc2c(cc1)n(-c3ccc(cc3)F)nc2)c4ccccc4	3049
+FC(F)(F)c1nc(sc1C(=O)OCC)C	9175
+FC(F)(F)C(C(=O)NN)(O)C	561
+FC(F)(F)C(C(=O)NN)(CC)O	743
+FC(F)(F)C(C(c1c(c(Cl)c(cc1)Oc2ccc(cc2)C(=O)OC)Cl)C)(O)C=3C=CC(N(C)C=3)=O	472
+FC(F)(F)C(O)(C(c1cc(O)ccc1Cl)C)c2ccc3c(N(C)C(=O)CO3)c2	5
+FC(F)(F)C(c1cc(C)c(c(c1)C)C#N)(O)C(c2c(Cl)cc(cc2)Oc3ccc(cn3)C(=O)OC)C	136
+FC(F)(F)C(O)(C(Nc1ccc(C(=O)c2ccccc2)s1)=O)C	1477
+FC(F)(F)C(O)(C(Nc1ccc(c(OC)c1)S(=O)(=O)c2ccncc2)=O)C	33
+FC(F)(F)C(C)(C)C(N)=S	199
+FC(F)(F)C(C)(C)NC(c1cc(CCl)ccc1)=O	93
+FC(F)(F)C(C)(C)NC(=O)c1cc(ccc1)CN2CCNCC2	2
+FC(F)(F)C(C)(C)NC(=O)c1cc(ccc1)CN2CCN(CC2)C(=O)c3cc(F)c(N)cc3	30
+FC(F)(F)C(C)(C)c1c(cc(cc1F)C2C(C(O)=O)C2)F	3
+FC(F)(F)C(C)(C)c1cc(ccc1O)Cl	5
+FC(F)(F)C(C)(C)c1ccc(cc1)-c2noc(C3=CN(Cc4cnc(cc4)Cl)C(=O)C=C3)n2	9176
+FC(F)(F)C(C)(C)c1ccc(cc1)-c2noc(C3=CN(C(=O)C=C3)Cc4cnc(NC)cc4)n2	70
+FC(F)(F)C(O)(C)c1ccc(cc1)N2C(COCc3ccccc3)CN(S(=O)(=O)c4sccc4)CC2	79
+FC(F)(F)C(c1ccc(cc1)CN)(O)C	107
+FC(F)(F)C(=Cc1ccc(C(=O)OCC)c(c1)C)C	9177
+FC(F)(F)C(CCC#N)C	300
+FC(F)(F)C(C)NS(=O)(=O)c1cn(C)c(c1)C(Nc2ccc(F)c(c2)Cl)=O	2337
+FC(F)(F)C(C)Oc1c(cc(S(=O)(=O)C)cc1)C(=O)N2CCN(CC2)c3sc(C(F)(F)F)cn3	30
+FC(F)(F)C(C)Oc1c(C2CCC2)cnc(C(NC(c3noc(C)n3)(CS(=O)(=O)C)C)=O)c1	81
+FC(F)(F)C(C1=CC(C(=CN1C)O)=O)O	9178
+FC(F)(F)c1c2c(n[nH]1)CCCC2=O	9179
+FC(F)(F)C(O)C1CCC(CC1)N	273
+FC(F)(F)C(OCC)C1CCC(CC1)Nc2ncnc(c2Cl)CC	3848
+FC(F)(F)C(C=Cc1ccc(CNCc2ccccn2)c(C(F)(F)F)c1)c3cc(Cl)c(c(c3)Cl)Cl	294
+FC(F)(F)C(C=Cc1ccc(cc1)OCC(O)=O)=O	32
+FC(F)(F)C(O)(CC(C)(C)c1c(OC)ccc(F)c1)CNc2c3c(ccc2)nc(cc3)C(NC)=O	9180
+FC(F)(F)C1(O)C(Oc2c(cccc2)C1)Nc3cc(F)cc4nc(C)ncc34	9181
+FC(F)(F)C(C=Nc1cc(cc2c1cnc(C)n2)F)(CC(c3cccc(c3OC)F)CCC)O	2253
+FC(F)(F)c1cc(N)n(n1)-c2ccccc2	9182
+FC(F)(F)c1nn(-c2ccc(cc2)F)c(-c3cc(F)c(c(F)c3)SC)c1	2251
+FC(F)(F)C(=CC(c1c2CCCc2c(C(=O)OC)s1)=O)c3cc(Cl)c(c(c3)Cl)F	4698
+FC(F)(F)C(O)(C=O)CC(C)(C)Cc1cccc(Cl)c1	578
+FC(F)(F)C(O)(C=O)CC(C)(C)c1cc(F)ccc1OC	24
+FC(F)(F)C(CC(C)(C)c1c(OC)ccc(F)c1)(CNC(=O)c2cnn(c2N)-c3ccc(cc3F)F)O	597
+FC(F)(F)C(O)(CC(C)(C)c1ccccn1)Cc2cc3ccccc3[nH]2	9183
+FC(F)(F)c1n[nH]c(c1)-c2ccc(cc2)Br	9184
+FC(F)(F)c1nn(-c2cc(F)c(S(=O)(=O)C)cc2)c(-c3ccc(cc3)Br)c1	2251
+FC(F)(F)c1cc(n(n1)-c2cnc(cc2)S(=O)(=O)N)-c3ccc(cc3)Br	9185
+FC(F)(F)C1(CC(=NO1)c2ccc(cc2)CN=[N+]=[N-])O	9186
+FC(F)(F)C(CC1(c2cc(SC)ccc2OCC1)C)=O	3049
+FC(F)(F)C(CC1CCc2cc([N+](=O)[O-])ccc2O1)OCc3ccccc3	149
+FC(F)(F)C(CC1CCc2cc(N)ccc2O1)OCc3ccccc3	0
+FC(F)(F)C(CC1CCc2c(O1)ccc([N+](=O)[O-])c2)O	31
+FC(F)(F)C(C(=O)O)(F)CCCCCCCC	460
+FC(F)(F)C(C)CCOS(=O)(=O)C	7
+FC(F)(F)C(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)(O)CN	597
+FC(F)(F)C(CNC(=O)c1cnn(-c2ccc(cc2)F)c1N)(CO)O	597
+FC(F)(F)C(CN1C(=NN(Cc2sc(-c3c(Cl)cccc3)cn2)C1=O)c4ccc(cc4)Cl)O	9187
+FC(F)(F)C(O)(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)COS(=O)(=O)c3ccc(cc3)C	36
+FC(F)(F)C(O)(CNC(c1c(F)cccc1OC(F)F)=O)CNC(c2cnn(-c3ccc(cc3)F)c2N)=O	14
+FC(F)(F)C(CNC(=O)c1c(Cl)cccc1Br)(CNC(c2cnn(-c3ccc(cc3)F)c2N)=O)O	93
+FC(F)(F)C(O)(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)CNC(=O)c3c(cccc3Cl)Cl	93
+FC(F)(F)C(CN)(CO)O	273
+FC(F)(F)C(O)(CNc1cc(C)cc2n(ncc12)-c3ccc(cc3)F)CN(CCC)C(=O)c4ccccc4	30
+FC(F)(F)C(CN(C(=O)c1cccs1)CCC)(O)CNc2cc(C)cc3n(ncc23)-c4ccccc4	867
+FC(F)(F)C(CN(CC)C(c1ccccc1)=O)(O)CNc2c3cnn(-c4ccccc4)c3cc(C)c2	30
+FC(F)(F)C(CNCc1ccccc1)(O)CO	9188
+FC(F)(F)C(COC1CCN(CC1)C(OCc2ccccc2)=O)OS(=O)(=O)C	7
+FC(F)(F)C(O)(C=Nc1c2cnc(C)nc2cc(c1)F)Cc3ccccc3OC	2253
+FC(F)(F)C(=CC1C(C(OCc2ccc(c(c2)Cc3ccccc3)F)=O)C1(C)C)Cl	27
+FC(F)(F)C(F)(F)C1=NN(c2ccc(F)cc2F)C(c3nccc(Br)c3)C1	4699
+FC(F)(F)C(F)(F)C1=NN(C(C1)c2ncc(Br)cc2)c3c(Cl)cccc3	4699
+FC(F)(F)C(F)(F)C(F)(F)c1c(N)c([nH]n1)C	209
+FC(F)(F)C(F)(F)c1nc2c([nH]1)cccc2	2712
+FC(F)(F)C(F)(F)c1ccc2OC(CF)(CF)C=C(C(=O)OCC)c2c1	4700
+FC(F)(F)C(F)(F)c1ccc(cc1)C#N	4700
+FC(F)(F)C(F)(F)C1=NN(C(C1)c2ccc(cn2)-c3cc(C(=O)C)ccc3)c4c(Cl)cccc4	89
+FC(F)(F)C(F)(F)C1=NN(C(c2nccc(-c3cc(SC)ccc3)c2)C1)c4c(cc(F)cc4)F	835
+FC(F)(F)C(F)(F)CCC=CCCCNC	284
+FC(F)(F)C(F)(F)CCCCCCCNC	460
+FC(F)(F)C(F)(F)CCCCCC(CCCCCCC=C)C(=O)OCC	9189
+FC(F)(F)C(F)(F)CCCCCOS(=O)(=O)C	7
+FC(F)(F)C(F)(F)CCCCCI	572
+FC(F)(F)C(F)(F)CCCCC(C(=O)OCC)(C(=O)OCC)CCCCCCC=C	9190
+FC(F)(F)C(F)(F)CCCCI	572
+FC(F)(F)C(F)(F)CNC(=O)OC(C)C(NC1C(Nc2c(cccc2)-c3c1cccc3)=O)=O	9191
+FC(F)(F)C(F)(F)C(C=Cc1ccc(Br)cn1)=O	2364
+FC(F)(F)C(F)(F)C(C=Cc1cc(-c2ccc(cc2)SC)ccc1)=O	2364
+FC(F)(F)C(F)(F)c1ccc(cc1)C(NCCc2ccc(cc2)F)=O	14
+FC(F)(F)C(F)(F)c1n(CCOc2ccc(cc2)CC(C(=O)O)OCC)c3c(cccc3)n1	3
+FC(F)(F)C(F)(F)c1n(CCOc2ccc(cc2)CC(C(OCC)=O)OCC)c3c(cccc3)n1	656
+FC(F)(F)C(N(C1CCCCC1)Cc2cnc(cc2)CN)=O	421
+FC(F)(F)C(N(C1CCCCC1)Cc2ccc(C#N)nc2)=O	577
+FC(F)(F)C(=O)N(C1CCN(CC1)C(=O)OC2(CC2)C)C3CC3	1011
+FC(F)(F)C(=O)N(c1cc2OCC(CC(OC)=O)c2cc1)C3c4cccc(Nc5c(ccc(c5)F)[N+]([O-])=O)c4CC3	230
+CC(C)(C)OC(N1CCC(CC1)(CNC)c2ccc(cc2)I)=O	318
+FC(F)(F)C(=O)N(CC1CCCN(CCN2c3c(ncc(c3)F)C=CC2=O)C1)Cc4cc5c(cn4)OCCO5	61
+FC(F)(F)C(N(CCCc1c2c(cccc2)[nH]c1)CCOc3cccc(N)c3N)=O	0
+FC(F)(F)C(N(c1ccc(CCC(OCC)=O)c(F)c1)Cc2c(C)c3c(CCCN3CCOS(=O)(=O)C)cc2)=O	7
+FC(F)(F)C(N=S(=O)(c1ccc(cc1)[N+]([O-])=O)C2CC2)=O	9192
+FC(F)(F)C(C)NS(=O)(=O)c1sc(c(C(=O)Nc2cc(F)c(cc2)F)c1)C	1427
+FC(F)(F)C(C)NS(=O)(=O)c1cc(C(OC)=O)n(C)c1	1362
+FC(F)(F)C(C)NC(C(c1cn(c(c1)C(Nc2cc(c(F)cc2)C)=O)C)=O)=O	2754
+FC(F)(F)C(C)Nc1nc(nc(Cl)c1-c2c(cc(cc2F)F)F)-c3ccccn3	40
+FC(F)(F)C(NC(c1c2nc(N3C(CCC3CO)c4cc(cnc4)F)ccn2nc1)=O)C	1339
+FC(F)(F)C(NC(=S)NC(c1ccccc1)=O)C	1993
+FC(F)(F)C(N1C(=O)c2c(C(=C1)Br)n[nH]c2N)C3CC3	9193
+C1c2c(C(C)CNC1C)cc(c(OCC=C)c2)Br	318
+C1CC2CC(CC1N2)C3c4c(Oc5c3cccc5)cc(cc4)-c6[nH]nnn6	318
+FC(F)(F)C(N1C2CC(CC1CC2)C3c4ccccc4Oc5cc(C#N)ccc35)=O	1926
+FC(F)(F)C(N1C2CC(CC1CC2)C3c4ccc(cc4Oc5c3cccc5)-c6[nH]nnn6)=O	1174
+FC(F)(F)C(=O)N1C(Cc2c(C(C)C1)cc(Br)c(O)c2)C	5
+FC(F)(F)C(N1CCc2nc(O)c(cc2C(C)C1)I)=O	583
+FC(F)(F)C(=O)N1CC(C1)Cc2cc(Br)ccc2OCc3oc(cc3)C(F)(F)F	4701
+O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])C3CNCC2C3	318
+FC(F)(F)C(N1CC2c3ccc(C(C)=O)cc3C(C1)C2)=O	94
+FC(F)(F)C(=O)N1CCC(CC1)C2=NCCc3cc(OC)ccc23	1120
+C1CNCCC1C(c2ccc(cc2)Br)=O	318
+CC(C)(C)OC(N(C1CCNCC1)Cc2ccc3c(OCCO3)c2)=O	318
+FC(F)(F)C(c1ccc2n(c(-c3nc4c(cc3)cc(F)c(OCC)c4)nn2)c1)N5CC(CC5)N	12
+FC(F)(F)C(N1CCC2(C)C(C)(C)C1Cc3c(O)c([N+]([O-])=O)ccc23)=O	77
+FC(F)(F)C(=O)N1CCCC(c2c(c(ccc2)N)NC(=O)OCC)C1	0
+FC(F)(F)C(=O)N1CCNCC1	2
+CC(C)(C)C(NCCC#Cc1c2CCNCCc2ccc1Cl)=O	318
+FC(F)(F)C(N1CCc2ccc(cc2CC1)N)=O	0
+c1(C(=O)N)ccc(Oc2cc3CCNCCc3cc2)nc1	318
+FC(F)(F)C(N1c2c(ccc(N)c2)CC1)=O	0
+c1ccccc1CN2CCN(CC2)CCC(Nc3ccc4CCNCCc4c3)=O	318
+FC(F)(F)C(=O)N1CCc2ccc(O)cc2CC1	5
+C1(C)CNCCc2nc(O)c(I)cc12	318
+C1CC1C(=O)N2c3cc(Br)ccc3NC(C)C2	1761
+C(S(=N)(C)=O)c1cccc([N+]([O-])=O)c1	4690
+FC(F)(F)C(N=S(c1ccc(cc1)N)(=O)C2CC2)=O	0
+FC(F)(F)c1cnc(nc1OC(C)C(C)OCc2ccccc2)Nc3ccc(cc3)S(=NC(C(F)(F)F)=O)(C4CC4)=O	55
+FC(F)(F)C(NC(=O)C(N1C(C)(C)C(CC1)C(=O)O)=O)C	3
+FC(F)(F)C(NC(=O)C(N1CCC(C1(C)C)C(Nc2cc(c(F)c(c2)F)Cl)=O)=O)C	33
+FC(F)(F)C(NC(N)=S)C	401
+FC(F)(F)C(=O)NC(C(=O)c1cc(ccc1OC)OC)C	94
+FC(F)(F)C(=O)NC(C(c1ccc(c(N)c1)OCc2ccccc2)O)C	0
+FC(F)(F)C(NC(C(c1ccc(O)c([N+]([O-])=O)c1)O)C)=O	77
+FC(F)(F)C(NC(C(O)c1ccc(c([N+]([O-])=O)c1)OCc2ccccc2)C)=O	22
+FC(F)(F)C(NC(C)Cc1cc(c(C(=O)c2ccccc2)cc1OC)OC)=O	222
+FC(F)(F)C(=O)NC(C)Cc1c(OC)cc(c(c1)OC)Cc2ccccc2	394
+FC(F)(F)C(NC(C)Cc1ccc(cc1)Sc2ccc(cc2)Oc3cc(ccc3)C(=O)OCC)=O	472
+FC(F)(F)C(NC(C)Cc1ccc(cc1)Sc2ccc(cc2)O)=O	5
+FC(F)(F)C(NC(C(O)=O)CCC)c1ccc(cc1)Br	2773
+FC(F)(F)C(=O)NC(C)Cc1ccc(cc1)I	184
+FC(F)(F)C(Nc1scc(-c2ccc(cc2)C#N)n1)C	354
+FC(F)(F)C(NC1CCCN2c3c(cc(c(Cl)c3)[N+](=O)[O-])Oc4ccccc4C12)=O	77
+FC(F)(F)C(NC1C2N(CCC1)c3c(cc(NS(=O)(=O)c4ccccc4)c(Cl)c3)Oc5ccccc25)=O	69
+FC(F)(F)C(NC1C2c3ccccc3Oc4c(cc(c(N)c4)Cl)N2CCC1)=O	0
+FC(F)(F)C(=O)NC1Cc2cc(c(cc2C1)CC)C(C)=O	94
+FC(F)(F)C(NC1Cc2c(C1)ccc(c2)CC)=O	165
+FC(F)(F)C(NC1Cc2ccc(C(C)=O)cc2C1)=O	94
+FC(F)(F)C(=O)NCC#Cc1cc(ccc1)[N+]([O-])=O	197
+FC(F)(F)C(=O)NCC1N(C(c2nc(C)sc2-c3cc(C)ccc3)=O)CC4C1CC(C)C4	837
+FC(F)(F)C(NCC1N(C(=O)c2c(sc(N)n2)-c3cccc(C)c3)C4C(C1)C4)=O	837
+FC(F)(F)C(NCC1CC2CC2N1)=O	2
+C1N(CCc2ccnc3c2nc(OC)cc3)CCCC1CN	399
+O1C(CN)CN(CC1)Cc2ccc(c(c2)Cl)Cl	399
+Nc1nc(C(=O)N2C(CC3CC23)CN)c(-c4cc(C)ccc4)s1	399
+c1cccc2c1N=C(N3CC(N(CCOCCO)CC3)CN)c4ccccc4S2	399
+FC(F)(F)C(NCC1N(CCN(C1)C=2c3ccccc3Sc4c(cccc4)N=2)CCOCCO)=O	9194
+FC(F)(F)C(NCC1N(CCNC1)CCOCCO)=O	2
+FC(F)(F)C(=O)NCC1N(C(c2c(sc(N)n2)-c3cc(F)ccc3)=O)C4CCC1C4	837
+FC(F)(F)C(=O)NCCCCN1C2CCC1CN(C2)c3ccc(cc3)Cl	123
+CC(C)OC(=O)N(CCCN)C	399
+CC(C)(C)OC(=O)N(C1CCN(C1)c2c3nc(ccc3ncc2)OC)CCN	399
+FC(F)(F)C(NCCNC(c1cccc(c1)OCC(N=[N+]=[N-])OCCOCC(OCC)=O)=O)=O	14
+FC(F)(F)C(NCCc1cc(ccc1)NN)=O	427
+FC(F)(F)C(NCCc1cccc(N)c1)=O	0
+FC(F)(F)C(=O)NCc1cc(C(=O)O)c(Cl)cc1F	3457
+N=1C(N(NC=1c2cc(ccc2Cl)CN)c3ccc(c(Cl)c3)F)=O	4692
+C1COCCC1C(=O)c2cc(N)c(C(=O)OC)s2	9195
+FC(F)(F)C(Nc1c(CC)c(N)c(O)cc1)=O	0
+FC(F)(F)C(Nc1c(CC)c([N+](=O)[O-])c(cc1)O)=O	5
+C1CC1C(=O)Nc2sc3c(n2)ccc(Oc4c(Cl)cc(F)c(c4)N)c3C#N	630
+FC(F)(F)C(Nc1cc(c(cc1F)Cl)Oc2ccc(cc2C#N)N)=O	0
+FC(F)(F)C(Nc1cc(Oc2c(C#N)c3c(nc(N)s3)cc2)c(Cl)cc1F)=O	821
+FC(F)(F)C(=O)Nc1cccc(c1)-c2c(-c3ccnc(n3)Nc4cc(ccc4)F)c5n(cccc5)n2	55
+FC(F)(F)C(=O)Nc1cc(Oc2cc3sc(N)nc3cc2)ccc1	821
+FC(F)(F)C(Nc1cc(ccc1)Oc2ccc(cc2)N)=O	0
+FC(F)(F)C(Nc1c(cc(cc1)NCc2ccc(Cl)s2)Cl)=O	9196
+CN(C)C(=O)CCCc1ccc(cc1)N	630
+FC(F)(F)C(Nc1ccc(cc1)CCOCOCc2ccccc2)=O	433
+c1cc(ccc1CCOCOCc2ccccc2)N	630
+Nc1ccc2c(nco2)c1CC	630
+c1(N)ccn2c(c(Cl)cn2)c1	630
+c1([nH]nc(N)c1)CC(Nc2cccc(c2)F)=O	4693
+FC(F)(F)C(Nc1scc(n1)-c2ccc(cc2)CN)C	107
+FC(F)(F)C(c1cn(nn1)Cc2cc3n(c(c(C(OCC)=O)c3)-c4ccc(cc4)F)cc2)(O)CC	642
+FC(F)(F)C(C(c1c(c(c(cc1)O)Cl)Cl)C)(O)C=2C=CC(N(C)C=2)=O	5
+FC(F)(F)C(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)c(O)c1)(O)C	5
+FC(F)(F)C(O)(C=O)CC(C)(C)c1c(c(c(cc1)Cl)F)OC	578
+FC(F)(F)C(C(c1cc(Oc2ccc(C(OC)=O)c(c2)Cl)ccc1Cl)C)(c3cc4N(C(=O)COc4cc3)C)O	472
+FC(F)(F)C(C(C)c1cc(Oc2cc(CC#N)ccc2)ccc1Cl)(c3cc4N(C(=O)COc4cc3)C)O	472
+FC(F)(F)C(O)(C)c1ccc(cc1)N2CCN(CC2COS(=O)(=O)C)S(=O)(=O)c3sccc3	7
+FC(F)(F)C(O)(C)c1ccc(cc1)N2C(CN(S(=O)(=O)c3sccc3)CC2)CO	118
+FC(F)(F)C(O)(C)c1ccc(cc1)N2CCN(S(=O)(=O)c3sccc3)CC2CNC	285
+FC(F)(F)C(O)(C)c1ccc(cc1)N2C(CN(S(=O)(=O)c3sccc3)CC2)CN(Cc4ncn(c4)C)C	879
+FC(F)(F)C(C=Nc1c2cnc(C)nc2cc(c1)F)(O)Cc3ccccc3O	5
+FC(F)(F)C1(O)C(Oc2c(cccc2)C1)Nc3cc(F)cc4nc(C)ncc34	9197
+FC(F)(F)C(C=Nc1c2c(ccc1)c(ncc2)O)(O)CC(C)(C)c3c(c(c(cc3)Cl)F)OC	2253
+FC(F)(F)C(C=Nc1c2c(ccc1)nc(cc2)C(NC)=O)(CC(C)(C)c3c(OC)ccc(F)c3)O	2253
+FC(F)(F)C(O)(CC#Cc1c(cc(C#N)cc1N)C)CC2(CCOc3ccc(S(=O)(=O)C)cc23)C	0
+FC(F)(F)C(CC1(CCOc2ccc(S(=O)(=O)C)cc12)C)(Cc3cc4c(cc(C#N)cc4[nH]3)C)O	2112
+FC(F)(F)C(=CC(=O)c1cc2c(s1)cccc2Cl)c3cc(Cl)cc(Cl)c3	4698
+FC(F)(F)C(CC)(O)c1nnc(o1)NCc2ccn3c(cc(C(OCC)=O)c3-c4ccc(cc4)F)c2	4702
+FC(F)(F)C(CC)(O)c1nnc(NCc2cc3nc(c(n3cc2)-c4ccccc4)C(=O)OCC)o1	4702
+FC(F)(F)C(O)(CC#Cc1c(C)cc(cc1[N+]([O-])=O)C#N)CC2(CCOc3ccc(S(=O)(=O)C)cc23)C	1247
+FC(F)(F)C(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)(O)CN	273
+FC(F)(F)C(Cc1c(OC)cccc1)(C=O)O	9198
+FC(F)(F)C(c1ccc2c(c1)cnn2-c3ccc(cc3)F)(c4cn(c(C(=O)O)c4)CC=C)O	6
+FC(F)(F)C(O)(c1cn(CC=O)c2c1ncnc2Cl)c3cc4cnn(c4cc3)-c5ccc(cc5)F	1156
+FC(F)(F)C(O)(c1cc2cnn(c2cc1)-c3ccc(cc3)F)c4cn(c5c4ncnc5Cl)CCO	237
+FC(F)(F)c1cc(Cl)ccc1-c2c(cc3[nH]c(C(F)(F)F)nc3c2)Cl	1640
+FC(F)(F)c1nc2c(OC)cccc2[nH]1	1640
+c1(cccc(c1O)Cc2c(c(OC)c(OC)c(c2OC)OC)C)C=O	502
+Fc1cc(cc(F)c1O)C=O	502
+O=Cc1cc(C)c(O)c2c1CCC2	502
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2cc(C=O)c(cc2)OC	502
+c1cc(ccc1OC)CC(NC(=O)NCc2ccon2)c3[nH]c4ccccc4n3	9199
+c1cc(ccc1)NC2(CCN(CC2)Cc3ccccc3)C(N)=O	9200
+c1cc(ccc1C(=O)N)-n2nc(-c3ccc(cc3)C(=O)OC)cc2I	9201
+O=Cc1cc(CCC(=O)O)ccc1O	502
+Clc1cc(cc(Cl)c1Oc2cc(C=O)c(cc2)OC)N3C(=O)NC(C=N3)=O	502
+FC(F)(F)c1nc2c(nc(Cl)nc2Cl)n1C	9202
+FC(F)(F)C(C)Oc1c(C(O)=O)cc(S(=O)(=O)C)cc1	556
+FC(F)(F)C(Oc1nncc2cc(Br)ccc12)C	485
+FC(F)(F)C(OC(=O)Oc1ccc(cc1)[N+]([O-])=O)C	405
+FC(F)(F)C(C=1N(C(=C(C(=O)C=1)OCc2ccccc2)CO)C)O	9203
+FC(F)(F)C(C1CCC(CC1)Nc2ncnc(c2Cl)CC)O	40
+FC(F)(F)C(CC(C)(C)c1ccccn1)=O	3049
+FC(F)(F)C1CC(c2nc(ccc2F)Br)(CF)NC(=NC(c3ccccc3)=O)O1	9204
+FC(F)(F)C(c1c(cccc1)-c2cc(sc2)C)Oc3cc(nc(N)n3)Cl	145
+FC(F)(F)C(Oc1cc(nc(N)n1)Cl)c2c(cccc2)-c3cscc3C	145
+FC(F)(F)C(c1ccccc1-n2nc(cc2C)C)Oc3nc(N)nc(Cl)c3	145
+FC(F)(F)C(c1ccc(cc1)-c2ccncc2)Oc3cc(nc(N)n3)Cl	145
+FC(F)(F)C(c1ccc(cc1)NN)O	427
+FC(F)(F)C(O)c1ccc(cc1)N	0
+FC(F)(F)C(c1c(-n2ccnc2)cccc1)Oc3nc(N)nc(Cl)c3	145
+FC(F)(F)C(O)c1c(N)cccc1	0
+FC(F)(F)C(c1cc(ncc1)C(N)=O)OC	9205
+FC(F)(F)C(c1c(cccc1)-c2cscc2C)Oc3nc(N)nc(-c4ccc(cc4)CC(C(=O)O)N)c3	198
+FC(F)(F)C(Oc1nncc2c1ccc(Nc3c(F)cc(F)cc3)c2)C	230
+FC(F)(F)C(Oc1cc(-c2ccc(cc2)CC(C(=O)O)N)nc(N)n1)c3c(cccc3)-c4cc(sc4)C	198
+FC(F)(F)C(=O)c1ccccc1NC(c2ccco2)=O	2177
+Cc1c(C(=O)O)c2ccc(cc2n1CC)OC	827
+[nH]1cc(c2ccc([N+]([O-])=O)cc12)C(=O)O	827
+Clc1cc2c(c[nH]c2cc1)C(=O)O	827
+FC(F)(F)C(C(c1ccc(O)cc1Cl)C)(c2cc(C)c(c(c2)C)C#N)O	5
+FC(F)(F)C(c1cc(C)c(c(c1)C)N)O	0
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2cc3CCC(c3cc2)N	474
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3ccnc4c(Br)cccc34)C1	1757
+FC(F)(F)C1(ON=C(C1)c2cc(c(Cl)nc2)Cl)c3cc(Cl)cc(Cl)c3	9206
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3cccc(c3)[N+](=O)[O-]	1757
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c3c4ccncc4c(Br)cc3)=NO1	1757
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(cc3)C	1423
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(c4ccccc34)Br	1757
+FC(F)(F)C(O)(CC(c1cc2c(Cl)cccc2s1)=O)c3cc(Cl)cc(c3)Cl	3552
+FC(F)(F)C(c1cc2c(cc1F)OCC(=O)N2C)(O)C(c3c(Cl)cc(cc3)-c4cc(c(C(=O)OC)cc4)F)C	11
+FC(F)(F)C(c1ccc(cc1-n2nc(cc2)C)Br)O	9207
+FC(F)(F)C(c1ccc(cc1)-n2c(N)cc(n2)C)O	752
+FC(F)(F)C(c1c(-n2ccc(C)n2)cc(cc1)Br)Oc3cc(nc(N)n3)Cl	145
+FC(F)(F)C(c1ccc2OCC(=O)N(c2c1)C)(O)C(C)c3c(Cl)cc(Oc4ccc(C(=O)O)cn4)cc3	1
+FC(F)(F)C(c1ccc2c(N(C)C(=O)CO2)c1)(O)C(c3c(cc(O)cc3)Cl)C	5
+FC(F)(F)C(c1ccc2OCC(=O)N(c2c1)C)(O)C(C)c3c(Cl)cc(cc3)Oc4ncc(cc4)C(=O)OC	136
+FC(F)(F)C(C(C)c1ccc(-c2ccc(Cl)c(c2)C(OCC)=O)cc1Cl)(c3ccc4OCC(=O)N(c4c3)C)O	11
+FC(F)(F)C(=NO)c1ccccc1	9208
+CC(C)CCn1c2c(ccc(Cl)c2)c(c1)C(O)=O	827
+Clc1ccc2c(cn(CCC)c2c1)C(=O)O	827
+c1([N+]([O-])=O)ccc2c(cn(c2c1)C)C(=O)O	827
+FC(F)(F)C(c1cn(nn1)Cc2ccn3c(cc(C(O)=O)c3-c4ccc(cc4)F)c2)(O)CC	6
+FC(F)(F)C(n1c2c(nc1COC3OCCCC3)cnc(Nc4ccnc(n4)-c5cnn(S(=O)(=O)C6CC6)c5)c2)C	9209
+FC(F)(F)C(C)n1c(nc2cnc(Nc3ccnc(n3)-c4cnn(S(=O)(=O)C5CC5)c4)cc12)CO	168
+FC(F)(F)C1(CC(c2ccc(cc2)CNCc3ccc(cc3)SC)=NO1)O	42
+FC(F)(F)C1(CC(=NO1)c2ccc(cc2)CN)O	18
+FC(F)(F)C1(CC(C)(C)c2c(cccc2)C(O)=O)CO1	500
+FC(F)(F)C1(CC(C)(C)c2ccccc2C(=O)N)CO1	169
+FC(F)(F)C1(CC1)C(=O)NCc2cc(F)c(Cl)c(N)c2	0
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(Cl)c(Nc3nc4cc(c(cc4[nH]3)OCC(F)F)C(Nc5ccc(cc5)Br)=O)c2	9210
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(c(N=C=S)c2Cl)Cl	1381
+FC(F)(F)C1(CC1)C(=O)NCc2cc(Nc3[nH]c4c(n3)cc(C(OCC)=O)c(OCC(F)F)c4)c(cc2)Cl	1701
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(c(Nc3n(c4ccc(cc4n3)C(Nc5ccc(cc5)Br)=O)CCN(C)C)c2)Cl	1023
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(Cl)c(N)c2Cl	9
+FC(F)(F)C1(CC1)C(=O)NCc2cc(F)c(c(c2)[N+](=O)[O-])Cl	9
+FC(F)(F)C1(CC1)CN2CCC(CC2)c3cc4c(cnc(-c5ccc(cc5F)S(=O)(=O)C)c4)o3	123
+FC(F)(F)C1(CCC(CC1)CO)O	21
+FC(F)(F)C1(CCC(CC1)CN2Cc3c(C2C(C)C)ccc(C(NCc4ccc(cc4)S(=O)(=O)CC)=O)c3)O	61
+FC(F)(F)C1(CCC(CC1)C=O)O	24
+FC(F)(F)C1(CCN(CC1)CC=Cc2ccc(cc2)C#Cc3ncc(cc3)-c4ccc(cc4)Cl)O	2613
+FC(F)(F)c1nc(n(-c2ccc(cc2)S(=O)(=O)C)c1)-c3ccc(cc3)C	3050
+FC(F)(F)c1nc(n(-c2ccc(cc2)S(=O)(=O)C)c1)-c3ccccc3	3050
+FC(F)(F)C1(CO1)CNc2c3c(cc(C)c2)n(-c4ccccc4)nc3	4704
+FC(F)(F)C1(c2cc(ccc2N(Cc3ccc(cc3)OC)C(N1)=O)Br)CN	157
+FC(F)(F)C1(Cc2cc(ccc2O1)-c3c(F)c(ccc3)N)c4cc(Cl)cc(Cl)c4	0
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)Oc3ccc(I)cc3C1	158
+FC(F)(F)c1nc(-c2ccc(c(Cl)c2)C)n(-c3ccc(cc3)S(=O)(=O)C)c1	3050
+FC(F)(F)C(O)(CNCc1ccccc1)CNC(c2cnn(-c3ccc(cc3)F)c2N)=O	122
+FC(F)(F)C1(ON=C(c2cnc(c(Cl)c2)C#N)C1)c3cc(Cl)cc(Cl)c3	577
+FC(F)(F)CNC(CNC(=O)c1sc(C2=NOC(C(F)(F)F)(C2)c3cc(Cl)c(c(Cl)c3)F)c4c1CCC4)=O	1816
+FC(F)(F)C1(ON=C(C1)c2sc(c3c2CCC3)C(O)=O)c4cc(Cl)c(c(Cl)c4)F	1
+FC(F)(F)C1(ON=C(C1)c2cc(c(nc2)CN)Cl)c3cc(Cl)cc(Cl)c3	421
+FC(F)(F)C1(c2ccccc2-c3c1cc(cc3-c4cn(C(C)(C)C(=O)O)nc4)OCC(C)O)O	3
+FC(F)(F)C1(CNC(c2ccc(cc2)F)=O)NC(=O)Nc3ccc(Br)cc13	9211
+FC(F)(F)C1(c2cc(Cl)c(c(c2)Cl)Cl)CCN(C1)c3ccc(c(C)n3)C#N	9212
+FC(F)(F)C1(c2cc(Cl)c(c(c2)Cl)Cl)CCN(c3cccc(C)n3)C1	43
+FC(F)(F)C1(ON=C(C1)c2cccc(c2)N)c3cc(Cl)cc(Cl)c3	0
+FC(F)(F)C1(CC(=NO1)c2sc(C(O)=O)c3c2CCCC3)c4cc(Cl)cc(Cl)c4	1
+FC(F)(F)C1(CC(=NO1)c2ccnc3c2cccc3C#N)c4cc(Cl)cc(Cl)c4	2779
+FC(F)(F)C1(Cc2cc(ccc2O1)N)c3cc(Cl)cc(Cl)c3	0
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)Oc3c(cc(cc3)-c4cccc(N)c4)C1	134
+FC(F)(F)C1(c2c(N(C(=O)N1)Cc3ccc(cc3)OC)ccc(c2)Br)CNC(c4ccc(cc4)F)=O	14
+FC(F)(F)C1(c2ccccc2-c3c(cc(cc13)OCC(C)O)-c4cn(C(C)(C)C(N)=O)nc4)O	83
+FC(F)(F)C1=C(C(N(C(c2cc(-c3cc4[nH]c(cc4cc3)C(=O)O)ccc2)=C1)Cc5c(cc(cc5)C)C)=O)C#N	6
+FC(F)(F)c1cc(C#N)nc(c1)Cl	9213
+FC(F)(F)C1=CC(N(c2c(cc(Cl)c(OC)c2[N+](=O)[O-])F)C(=O)N1C)=O	4705
+FC(F)(F)C=1N(C(=O)N(C(=O)C=1)c2c(NC(c3c(F)cc(cc3)F)=O)c(OC)c(cc2F)Cl)C	50
+FC(F)(F)C1=CC(N(c2c(N)c(c(cc2F)Cl)C)C(N1C)=O)=O	0
+FC(F)(F)C1=CC(=O)N(c2c(cc(c3cc(C)oc23)Cl)F)C(N1C)=O	9214
+FC(F)(F)C1=CC(N(C(N1C)=O)c2c(F)cc(c3c2oc(C)c3C(=O)C)Cl)=O	2617
+FC(F)(F)C=1N(C)C(N(c2cc(c(cc2F)Cl)Oc3ccc(cc3)O)C(=O)C=1)=O	16
+FC(F)(F)C1=CC(N(c2nccn12)c3c(F)cc(Br)c([N+](=O)[O-])c3)=O	77
+FC(F)(F)C1=CC(=O)N(C(N1C)=O)c2c(F)cc(Cl)c(OC)c2N	0
+FC(F)(F)C1=CC(N(c2nccn12)c3cc(NS(=O)(=O)C)c(C#N)cc3F)=O	180
+FC(F)(F)C1=CC(=O)N(c2cc(Oc3ccc(cc3)OCc4ccccc4)c(cc2F)Cl)C(=O)N1C	1030
+FC(F)(F)C1=CC(N(c2cc(NS(=O)(=O)C)c(cc2F)Br)c3nccn13)=O	80
+FC(F)(F)C1=CC(N(c2cc(c(cc2F)Br)N)c3nccn13)=O	0
+FC(F)(F)c1nn(c(OC(F)F)c1C)C(C)C	9215
+FC(F)(F)C1C(C(OCC)=O)=Cc2cc(C#N)ccc2O1	1308
+FC(F)(F)C1C(C(NC(NC(=O)c2ccccc2)=S)(c3ccccc3F)CO1)CO	1993
+FC(F)(F)C1C2CSC(=NC2(CO1)c3ccccc3F)NC(=O)c4ccccc4	9216
+FC(F)(F)C1C(=Cc2c(O1)ccc(C#N)c2)C(=O)O	108
+FC(F)(F)C1Oc2c(cc(C)cc2C=C1C(OCC)=O)CI	4706
+FC(F)(F)C1C2C(NC(=N)SC2)(CO1)c3ccccc3F	9217
+FC(F)(F)C1CC(CF)(NC(=N)O1)c2c(ccc(n2)NC(=O)c3ccc(cn3)C#N)F	9218
+FC(F)(F)C1CC(O)(CNC(=O)c2cn(c3c2c(ccc3)Cl)CC4OCCC4)CCC1	56
+FC(F)(F)C1CC(N=C(N)O1)(CF)c2c(ccc(Br)n2)F	9219
+FC(F)(F)C1CCC(CC1)CN	15
+FC(F)(F)C1CCC(CC1)C(=O)CN2CCC(CC2)N3c4ccc(S(=O)(=O)C)cc4NC3=O	2382
+FC(F)(F)C1CCC(CC1)C(=O)N	83
+FC(F)(F)C1CCC(CC1)NC(c2c(OCCOC)nc(NC)c(c2)N)=O	13
+FC(F)(F)C1CCC(CC1)NC(c2c(nc(c([N+]([O-])=O)c2)Cl)OCCOC)=O	475
+FC(F)(F)C1CCC(CC1)NC(c2c(OCCF)nc(c([N+]([O-])=O)c2)Cl)=O	475
+FC(F)(F)C1CCC(CC1)NC(=O)c2c(OCCF)nc(NC)c(N)c2	13
+FC(F)(F)C1CCC(CC1)NC(c2c(OCCF)nc(c([N+](=O)[O-])c2)NC)=O	70
+FC(F)(F)C1CCC(CC1)NC(=O)c2cc([N+](=O)[O-])c(NC)nc2OCCOC	70
+FC(F)(F)C1CCC(CC1)Oc2ccc3cc(CN4CC(C4)C(=O)O)ccc3c2	4
+FC(F)(F)C1CN(c2c(Cl)cc(c(c2)NC)N)CCC1	0
+FC(F)(F)C1N(c2ncc(cn2)-c3cccc(NC(C(C)n4cnc5N(C)C(=O)N(C(=O)c45)C)=O)n3)CCC1	142
+FC(F)(F)C1CCN(CC1)CCO	95
+FC(F)(F)C1CCN(CC1)CCOc2ccc3c(c2)cc(C(OCC)=O)o3	126
+FC(F)(F)C1CCN(CC1)CCOc2ccc3c(c2)cc(C(=O)O)o3	6
+FC(F)(F)C1CCN(CC1)c2c(C#N)cc(N)c(c2)NC	0
+FC(F)(F)C1CCN(CC1)c2cc3n(C)c(nc3cc2Cl)Nc4cc(c(F)cc4Cl)C#N	1023
+FC(F)(F)C1CCN(CC1)c2cc(NC)c(N)cc2Cl	0
+FC(F)(F)C1CCN(CC1)c2cc3n(C)c(nc3cc2Cl)Nc4c(cc(c(CN)c4)F)Cl	107
+FC(F)(F)C1c2ccccc2N(CC1)C(C(N)=O)C	83
+FC(F)(F)C1CCN(c2c1cccc2)C(C(=O)O)C	3
+FC(F)(F)C1CCN(CC1)c2c(C#N)cc(c(NC)c2)[N+](=O)[O-]	202
+FC(F)(F)C(O)CN1CCCC(c2cc(S(=O)(=O)C)ccc2)C1	170
+FC(F)(F)C1C(C(OCC)=O)=Cc2cc(C)cc(CO)c2O1	41
+FC(F)(F)C1C(=Cc2cc(C=NO)ccc2O1)C(OCC)=O	135
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4n(cc(CC(F)(F)F)n4)CCO	54
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4nc(cn4CCOS(=O)(=O)C)CC(F)(F)F	7
+FC(F)(F)C1CCN(C(CN)C)c2c1cccc2	15
+FC(F)(F)C=1N(C)C(N(c2c(cc(c(Oc3ccc(cc3)OCc4ccccc4)c2)[N+](=O)[O-])F)C(=O)C=1)=O	46
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2cc(c([N+](=O)[O-])cc2F)Oc3c(ccnc3)OCc4ccccc4	551
+FC(F)(F)C=1N(C(N(C(C=1)=O)c2cc3c(cc2)snc3-c4ccc(O)c(c4)C)=O)C	5
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(F)cc(Cl)c(C)c2NC(Oc3ccccc3)=O	9220
+FC(F)(F)C=1N(C)C(N(c2c(cc(N)c(Oc3c(OCc4ccccc4)ccnc3)c2)F)C(=O)C=1)=O	0
+FC(F)(F)C1=CN=C(c2c(cc(Cl)c(O)c2)F)C(N1C)=O	5
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2cc(c(cc2F)Cl)C(=O)O	6
+FC(F)(F)C1=CC(N(c2cc(c(N)cc2F)Oc3ccc(cc3)OCc4ccccc4)C(=O)N1C)=O	0
+FC(F)(F)c1cc(nn1C)Oc2cc(Oc3c(cccc3)OCC(OC)=O)c(cc2)[N+]([O-])=O	9221
+FC(F)(F)C1=CC(=O)N(C(=O)N1)c2cc3c(snc3Cl)cc2	9222
+FC(F)(F)C1=CC(=O)N(c2c(F)cc(Cl)c(C)c2[N+](=O)[O-])C(N1C)=O	4705
+FC(F)(F)C1=CC(=O)N(C(=O)N1)c2c(cc(c(c2[N+]([O-])=O)OC)Cl)F	31
+FC(F)(F)C=Cc1ccc(C(Nc2cc3N(CCCc3cc2)C(=O)C)=O)c(c1)C	67
+FC(F)(F)CC(=O)NN	743
+FC(F)(F)CC(C)CO	2859
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)CO	1427
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O	86
+FC(F)(F)CC(C)(C)CC1=Nc2n(cnc2C(N1c3ccc(cc3)Cl)=O)C	9223
+FC(F)(F)CC(C(N)CO)C	21
+FC(F)(F)CC(C)C(C(=O)O)N	4707
+FC(F)(F)CC(C(NS(=O)(=O)c1sc(cc1)Cl)C(O)C)C	684
+FC(F)(F)CC(C)C(NS(=O)(=O)c1ccc(s1)Cl)C=O	24
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3c(OC)cc(C(=O)NS(=O)(=O)c4ccccc4C)cc3)cn(C)c2cc1	14
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3ccc(C(=O)OC)cc3OC)c[nH]c2cc1	14
+FC(F)(F)CC(C)CNC(=O)c1cc2c(cc1)[nH]cc2Cc3c(OC)cc(C(O)=O)cc3	1
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3ccc(C(=O)OCc4ccccc4)cc3OC)c[nH]c2cc1	47
+FC(F)(F)CC(C=O)C	24
+FC(F)(F)Cc1n2c(nc1)c(C#N)c(cc2)Br	9224
+FC(F)(F)CC(Nc1nc(Cl)c(C#N)nc1)C(N)=O	2941
+FC(F)(F)CC(Nc1nc(Nc2ccc3c(cccn3)c2)c(nc1)C(N)=O)C(N)=O	1198
+FC(F)(F)CC(Nc1cnc(C#N)c(Nc2ccc3c(cccn3)c2)n1)C(N)=O	1410
+FC(F)(F)CCCNC1CCCCC1	15
+FC(F)(F)CCC(C#N)(C#N)CCCCCF	559
+FC(F)(F)CCC(C#N)(C#N)CCCCCO	118
+FC(F)(F)CCC(C#N)(C#N)Cn1nc(C(F)(F)F)c(Br)c1	9225
+FC(F)(F)CCC(C#N)(C#N)CCCCCOCc1ccccc1	3745
+FC(F)(F)CCC(C(O)=O)N1CC(=CC1=O)Oc2c(cccc2)Cl	4
+FC(F)(F)CCC(c1cccc(c1)Cl)CI	343
+FC(F)(F)CCC(N(Cc1c(cc(C(N)=NO)cc1)F)S(=O)(=O)c2ccc(cc2)Cl)C(N)=O	253
+FC(F)(F)CCC(NS(=O)(=O)c1ccc(cc1)Cl)C(N)=O	1946
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC(CO)O)n3	265
+FC(F)(F)CCC(C(OC)=O)N1C(C=C(C1)Oc2c(cccc2)Cl)=O	9226
+FC(F)(F)CCC(CO)c1cc(ccc1)Cl	647
+FC(F)(F)CCCOc1ccc2c(scc2NC(OCC)=O)c1	8
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)OCC	601
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)O	6
+FC(F)(F)CCCc1cncc2c1cc(OC)cc2	9227
+FC(F)(F)CCCN(c1ccc(cc1[N+](=O)[O-])Br)C2CCCCC2	34
+FC(F)(F)CCCNc1ccc(cc1N)C#N	0
+FC(F)(F)CCCOc1ccc(cc1)C=O	126
+FC(F)(F)CCCOc1ccc(cc1)C(=O)C(F)(F)F	2177
+FC(F)(F)CCCOc1ccc(cc1)C(O)C(F)(F)F	714
+FC(F)(F)CCCc1c2cc(OC3CCNCC3)ccc2cnc1	2
+FC(F)(F)CCCc1cncc2ccc(cc12)O	5
+FC(F)(F)CCCn1c2c(nc1CO)cc(CN)cc2	107
+FC(F)(F)CCCn1c(CO)nc2cc(ccc12)C#N	59
+FC(F)(F)CCN1CC(CC1)Nc2ccc(C#N)c(c2)Cl	183
+FC(F)(F)CCNC(=O)c1ccc(cc1)C(=O)C	14
+FC(F)(F)CCN1CCC(CC1)CN	15
+FC(F)(F)CCN1CCC(CC1)C(=O)O	3
+FC(F)(F)CCN1CCC(CC1)CNCC(COc2cccc3[nH]c(cc23)C)O	122
+FC(F)(F)CCN1CCN(CC1)c2cc(c(cc2N)Cl)Cl	0
+FC(F)(F)CCN1CCN(CC1)c2c(ccc(Cl)c2)NC(c3cc4CNCCc4cc3)=O	2
+FC(F)(F)CCN1CCN(CC1)c2c(cc(c(c2)Cl)Cl)NC(=O)c3c(cc(CBr)cc3)F	67
+FC(F)(F)CCOc1ccc(cc1)-n2c(c(nc2-c3ccc(cc3Cl)Cl)C(=O)OCC)C	20
+FC(F)(F)CCOS(=O)(=O)c1ccc(cc1)C	36
+FC(F)(F)CCOc1cc(C=O)ccc1	450
+FC(F)(F)CCOc1c(cc(c(C(=O)O)c1Cl)F)Cl	634
+FC(F)(F)CCOc1cc(CNCCc2c3cc(ccc3[nH]c2)OC)ccc1	42
+FC(F)(F)CCOc1ccc(cc1)-n2c(-c3c(Cl)cc(cc3)Cl)nc(C(=O)O)c2C	6
+FC(F)(F)CCS(=O)(=O)CCCN(CCCO)CCCCCCC1=C(CCCc2c1ccc(O)c2)c3ccccc3	28
+FC(F)(F)CCS(=O)(=O)CCCN(CCO)CCCCCCC1=C(CCCc2cc(O)ccc12)c3cccc(c3)O	28
+FC(F)(F)CCSCCC(=O)Nc1c(Cl)nn(-c2cccnc2)c1	4708
+FC(F)(F)CCSCCC(=O)N(c1c(Cl)nn(-c2cccnc2)c1)CC	9228
+FC(F)(F)COc1ccccc1OC	3525
+FC(F)(F)Cn1cc(c(n1)-c2ccc(cc2)OCc3ccccc3)-c4ccncc4	9229
+FC(F)(F)CNCc1c(-c2cc(CC(=O)OC)ccc2OC)ccc(c1)C(F)(F)F	42
+FC(F)(F)CNC(c1ccc(C)c(c1)-c2nc(nc3N(C(=O)C=Cc23)c4c(F)cccc4F)NCCCN(CC)CC)=O	14
+FC(F)(F)CNc1ccc(cn1)[N+](=O)[O-]	70
+FC(F)(F)CNc1c(c(Cl)nc(-n2ccnc2)n1)-c3c(cc(cc3F)F)F	40
+FC(F)(F)CNC(=O)c1cnc(OCc2c(noc2C)-c3ccccc3F)cc1	1650
+FC(F)(F)CN1C(O)(c2c(NC1=O)ccc(F)c2)c3ccccc3	9230
+FC(F)(F)CNC(C1CC(=O)N(Cc2ccccc2)C1)=O	248
+FC(F)(F)CNc1c(cc2c(oc(c2C(NC)=O)-c3ccc(cc3)F)n1)-c4ccc(F)c(C(O)=O)c4	70
+FC(F)(F)CNC(=O)c1ccc(cc1)C=O	93
+FC(F)(F)CNC(C1(c2ccccc2-c3c1cccc3)CCCCBr)=O	68
+FC(F)(F)CN(c1ccc(cn1)N)C	13
+FC(F)(F)CN(c1ncc(cc1)NC(c2c(nn(n2)-c3ccccc3)C)=O)C	1285
+FC(F)(F)CN1C=C(c2ccc(cc2)F)C(=O)C(C(Nc3ccc(cc3)-c4cc(cnc4N)-c5cn(C)nc5)=O)=C1	9231
+FC(F)(F)CN1CCC(CC1)N	316
+FC(F)(F)CN1CCC(CC1)COc2cc(F)c(cc2C3CC3)C(=O)O	1
+FC(F)(F)CN1CCC(CC1)NC(c2cnc(cc2)-c3cccc(C#N)c3)=O	56
+FC(F)(F)CN1CCC(CC1)NC(=O)c2cnc(-c3ccccc3F)cc2	56
+FC(F)(F)CN1CCC(CC1)c2ccc(cc2)N	2737
+FC(F)(F)CN1CCC(CC1)c2ccc(cc2)NC=O	9232
+FC(F)(F)CN1CCNCC(C1=O)NC(OC(C)(C)C)=O	62
+FC(F)(F)CN1CCN(Cc2c(F)c(ccc2)F)CC(C1=O)N	84
+FC(F)(F)CN1CCN(Cc2cccc(F)c2F)CC(NC(=O)OC(C)(C)C)C1=O	48
+FC(F)(F)CNC(=S)Nc1ccnc(SCCCC#N)n1	9233
+FC(F)(F)CNC(=S)Nc1cccc(CO)c1	2898
+FC(F)(F)CNC(=N)Nc1nc(ncc1)SCCCC(=O)N	645
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2cnc3n2ncc(-c4cc(C(=O)O)ccc4)c3	1
+FC(F)(F)CNC(=O)c1ccc(cc1)C=NO	135
+FC(F)(F)CNC(=N)Nc1cccc(CO)c1	3051
+FC(F)(F)CNC(=N)Nc1nc(SCCCC#N)ncc1	3051
+FC(F)(F)CNC(=O)C1(c2c(-c3c1cccc3)cccc2)CCCCN4CCN(CC4)c5ccc(cc5)[N+]([O-])=O	28
+FC(F)(F)CNCC1CN(Cc2ccccc2)C(C1)=O	15
+FC(F)(F)CN=C(N)Nc1nn(CCCCC#N)cn1	3672
+FC(F)(F)CNCC1(CCN(CC1)c2c3n(nc(Nc4ccc(cc4)C(N(C)C5CCN(CC5)C)=O)n3)ccc2)CO	3694
+FC(F)(F)CNCC1CCNC1	25
+FC(F)(F)CNCC1CN(CC1)Cc2ccccc2	15
+FC(F)(F)c1ccc(-c2c(ccc(CC(=O)OC)c2)OC)c(CN(C(=O)C)CC(F)(F)F)c1	58
+FC(F)(F)CNc1c(nc(Cl)nc1)C(N)=O	314
+FC(F)(F)CNc1ncc(Cl)cc1C(=O)O	6
+FC(F)(F)COc1ncc(C2(CCC(CC2)N3CC(C3)NC(CNC(c4cc(C(F)(F)F)ccc4)=O)=O)O)cc1	430
+FC(F)(F)COc1c(cc(F)c(OC(c2c(C)nc(-c3ccc(cc3)C(F)(F)F)s2)CC)c1)C#N	57
+FC(F)(F)COc1ncc(C(=O)O)cc1I	91
+FC(F)(F)COc1ncc(C=O)nc1	799
+FC(F)(F)COc1nc(nc(NC2CN(CC2)S(=O)(=O)C)n1)Nc3cc(c(cc3)F)Cl	2221
+FC(F)(F)COc1ncc(cc1Br)[N+](=O)[O-]	91
+FC(F)(F)COc1ncc([N+]([O-])=O)cc1Cl	91
+FC(F)(F)COc1c(cnc(C#N)c1Cl)Cl	260
+FC(F)(F)COc1c(ccc(F)c1)[N+]([O-])=O	57
+FC(F)(F)COCCOc1c(cc(Cc2ccc(cc2)CC)c(c1)Cl)Br	1515
+FC(F)(F)COc1ccc(cc1)[N+]([O-])=O	57
+FC(F)(F)COCCOCCOCCOCCOCCOCCOCc1ccccc1	1117
+c1ccccc1CON(C=O)CC(C(C(CC(P(OCC)(OCC)=O)O)O)O)O	9234
+FC(F)(F)COCCOCCOCCOCCOCCOCCOCC(=O)O	3
+FC(F)(F)COCc1nc(nc(COS(=O)(=O)C)c1)Cl	7
+FC(F)(F)COCc1cc(CO)nc(n1)Cl	453
+FC(F)(F)COCc1cc(nc(n1)Cl)C=O	1406
+FC(F)(F)CN1CCOC(C=C2c3ccccc3CCc4ccccc24)C1	9235
+FC(F)(F)COc1ccc(cc1[N+]([O-])=O)F	9236
+FC(F)(F)COc1c(Cl)cc(cc1-c2ccc(cc2)C)C3(CCC3)C(=O)OCC	11
+FC(F)(F)COc1ncc(cc1-c2ccc(cc2)Cl)N	89
+FC(F)(F)COc1ncc(cc1C)C(C)N2C(=O)c3c(c(ncc3)Cl)C2	3047
+FC(F)(F)COc1c(cccc1CC#N)Cl	163
+FC(F)(F)COc1c(Cl)cc(cc1-c2ccc(cc2)C)C(C(O)=O)CC3CC3	3
+FC(F)(F)COc1c(Cl)cc(C(CC2CC2)C(=O)OCC)cc1-c3ccc(cc3)C	11
+FC(F)(F)COc1c(cc(cc1Cl)C2(CCC2)C(=O)O)-c3ccc(cc3)C	3
+FC(F)(F)COc1cc(ccc1F)CCN	51
+FC(F)(F)COc1c(OCCO)cccc1	44
+FC(F)(F)COc1c(OCCOS(=O)(=O)C)cccc1	7
+FC(F)(F)COc1ncc(C(=O)Nc2ccncn2)cc1C3CCCCC3	2370
+FC(F)(F)COc1c(C2CCCCC2)cc(C(NN(c3nnc(Cl)cc3)C)=O)cn1	1325
+FC(F)(F)COc1cc(c(S(=O)(=O)NC)cc1N)F	0
+FC(F)(F)COc1cc2ncnc(O)c2cc1OC	9237
+FC(F)(F)COc1c(C2CCCCC2)cc(cn1)C(Nc3cnccc3)=O	671
+FC(F)(F)COc1cc(c(cc1[N+](=O)[O-])S(=O)(=O)Cl)F	240
+FC(F)(F)COc1cc(C2(CCCC2)C(OCC)=O)ccc1N	0
+FC(F)(F)COc1c(CC(O)=O)cccc1Cl	508
+FC(F)(F)COc1c(c(ncc1Cl)C(=O)N)Cl	4709
+FC(F)(F)COc1c(Cl)ccc(c1)C2=CC(=O)n3c(N2)c(-c4oc(C)cn4)cn3	1915
+FC(F)(F)COc1cc(C(=O)O)ccc1Cl	1
+FC(F)(F)COc1c(N)c(cc(C2(CCCC2)C(OCC)=O)c1)Cl	196
+FC(F)(F)COc1c(cc(c(c1)N)C(=O)OCC)OC	0
+FC(F)(F)COc1cc(n[nH]1)N	1131
+FC(F)(F)COc1c(cc(c(F)c1)S(=O)(=O)NC)[N+]([O-])=O	71
+FC(F)(F)COc1c(CC(OC)=O)ccc(c1)OCC2OC2	8
+FC(F)(F)COc1cc(ccc1CC(OC)=O)O	16
+FC(F)(F)COc1c(F)ccc(CC#N)c1	163
+FC(F)(F)COc1cc(ccc1F)CCNCC2COCC2	110
+FC(F)(F)COc1cc(C(CC2CCC2)C(=O)OC)ccc1N	0
+FC(F)(F)COc1c(C2CC2)cnc(C(NC(c3nnn[nH]3)(C)CC4CC4)=O)c1	420
+FC(F)(F)COc1ccc(cc1)N2CCNCC2	2
+FC(F)(F)COc1ccc(cc1)N2CCN(CC2)S(=O)(=O)C	112
+FC(F)(F)COc1ccc(cc1)N	0
+FC(F)(F)COc1c(cc(cc1)F)N2CCN(CC2)CCCNC(c3c(noc3C)-c4ccccc4)=O	53
+FC(F)(F)COc1c(cc(F)cc1)N	0
+FC(F)(F)COc1ccccc1O	5
+FC(F)(F)COc1cnc(C(C)NC(Cc2ccc(cc2)-c3c(C4CC4)nccn3)=O)cc1	9
+FC(F)(F)COc1cccc(CO)n1	398
+FC(F)(F)COc1cccc(CN)n1	18
+FC(F)(F)COc1nc(ccc1)CC#N	9238
+FC(F)(F)COc1nc(CN=[N+]=[N-])ccc1	4454
+FC(F)(F)COc1ncc(cc1I)C(=O)Nc2cnccc2	3052
+FC(F)(F)COc1c(cc(C(=O)O)cn1)C2CCCCC2	1
+FC(F)(F)COc1c(cc(cn1)N)Cl	13
+FC(F)(F)COc1c(cc(cn1)NC(c2cc(cnc2)C)=O)-c3ccc(cc3)Cl	3052
+FC(F)(F)COc1ncc(cc1-c2ccc(cc2)Cl)NC(=O)c3cc(nn3C)C	510
+FC(F)(F)COc1c(Br)cc(cn1)N	13
+FC(F)(F)COc1ncc(cc1C)C(C)N2Cc3c(C2=O)ccnc3C(Oc4ccccc4)=O	4710
+FC(F)(F)COc1ncc(C(OC)=O)cc1C2CCCCC2	671
+FC(F)(F)COc1cc2n(C(=O)C=C(N2Cc3ccc(Cl)nc3)C)n1	9239
+FC(F)(F)CSc1cc(O)ccc1C	956
+FC(F)(F)CSc1cc(ccc1C)OCCCCCSC#N	9240
+FC(F)(F)Cc1ccc(cc1)C2CNCC(C(OC)=O)C2	9241
+FC(F)(F)Cc1ccc(cc1)-c2cncc(C(=O)OC)c2	305
+FC(F)(F)Cc1ccc(cc1)C2CN(C(N3CCSCC3)=O)CC(C2)C(O)=O	4
+FC(F)(F)Cc1ccc(cc1)C2CC(CN(C(N3CCSCC3)=O)C2)c4nc(no4)OCCOC	9242
+FC(F)(F)Cc1ccc(cc1)C2CN(C(=O)Oc3ccc(cc3)[N+]([O-])=O)CC(C2)C(=O)OC	66
+FC(F)(F)Cc1ccc(cc1)N2CCC3(C2=O)C(CN(CC3)Cc4ccccc4)O	2007
+FC(F)(F)Cc1ccc(cc1)N2C(=O)C3(CCN(CC3O)S(=O)(=O)c4c(Cl)cccc4)CC2	92
+FC(F)(F)Cc1ccc(cc1)N2CCC3(C(CNCC3)O)C2=O	25
+FC(F)(F)Cc1cc(cc(C)c1OCc2ccccc2)I	184
+FC(F)(F)Cc1cccc(C)c1OCc2ccccc2	22
+FC(F)(F)Cc1cccc(c1O)C	5
+FC(F)(F)Cc1nnc2n1CC(c3c(F)c(ccc3)F)CCC2N	12
+c1cc(ccn1)Cn2ncnc2-c3sc4CCOc5c(ccc(c5)Br)-c4n3	9243
+FC(F)(F)Cn1c2cccc(Cl)c2c(c1)C(NCC3(O)CC(F)(F)CC(C)C3)=O	56
+FC(F)(F)Cn1nc(c(c1)-c2ccncc2)-c3ccc(cc3)O	16
+FC(F)(F)Cn1nc(c(c1)-c2ccncc2)-c3ccc(cc3)OCc4nc5c(cccc5)n4CF	20
+FC(F)(F)Cn1cc(-c2n(S(=O)(=O)C)c3c(cnc(Br)c3)c2)cn1	4711
+FC(F)(F)Oc1ccccc1-c2cc(C(=O)O)c(C)n2CC3OCCC3	1
+FC(F)(F)Oc1ccccc1-c2cccc(c2)C(C)=O	11
+FC(F)(F)Oc1ccccc1C(Cl)=NO	761
+FC(F)(F)Oc1c(cc(C(COC)=O)cc1)F	586
+FC(F)(F)Oc1c(F)cc(cc1)C(c2ncccc2F)NC(c3nc([N+](=O)[O-])c(cc3)O)=O	390
+FC(F)(F)Oc1c(F)cc(cc1)C(NC(=O)c2nc(c(OC)cc2)[N+](=O)[O-])c3ncccc3F	81
+FC(F)(F)Oc1c(F)cc(C(NC(=O)c2nc(c(cc2)O)N)c3ncccc3F)cc1	161
+FC(F)(F)Oc1c(cc(C(Nc2ccc(-c3ccccc3F)nc2)=O)cc1)N	140
+FC(F)(F)Oc1c(c(cc(C(=O)OC)c1)Cl)O	196
+FC(F)(F)Oc1cc(C(=O)N2CSc3c2cccc3)cc(Cl)c1OC	448
+FC(F)(F)Oc1c(c(C#N)cc(C(O)=O)c1)OC	1421
+FC(F)(F)Oc1c(S(=O)(=O)N)ccc(c1)C(=N)NO	181
+FC(F)(F)Oc1cc(cc(c1OC)Cl)C(OC)=O	297
+FC(F)(F)Oc1ccc(C(COC)=NO)cc1F	189
+FC(F)(F)Oc1c(cc(C(COC)NC(c2nc(nc(O)c2)N3CCCC3)=O)cc1)F	104
+FC(F)(F)Oc1c(cc(cc1)Cl)C2=CC(=O)N(C(C)C(=O)Nc3ccc(cc3)C(O)=O)C=C2C#N	153
+FC(F)(F)Oc1c(S(=O)(=O)N)ccc(c1)C#N	180
+FC(F)(F)Oc1c(ccc(c1)C#N)C2C(=C(C)Nc3ccnc(OCC)c23)C(=O)O	9244
+FC(F)(F)Oc1c(C2C(=C(C)Nc3c2c(ncc3)OCC)C(=O)N)ccc(C#N)c1	3053
+FC(F)(F)Oc1c(ccc(C#N)c1)C2c3c(ccnc3OCC)NC(=C2C(=O)OCCC#N)C	160
+FC(F)(F)Oc1cc(C#N)cc(-c2nc(no2)-c3ccc4c(c5c([nH]4)C(C(=O)O)CC5)c3)c1	3
+FC(F)(F)Oc1cc(cc(CO)c1)Cl	611
+FC(F)(F)Oc1c(OC)c(C#N)cc(c1)C(N2c3c(SC2)cccc3)=O	448
+FC(F)(F)Oc1cc(cc(Cl)c1)CC#N	1686
+FC(F)(F)Oc1ccc(O)c(c1)N	0
+FC(F)(F)Oc1ccc(cc1)C#CCCCO	1762
+FC(F)(F)Oc1ccc(F)c(Cc2n(c3c(N(C(=O)N(Cc4ccc(cc4)OC)C3=O)C)n2)Cc5ccc(cc5)Cl)c1	371
+FC(F)(F)Oc1cc(Cl)cc(COS(=O)(=O)C)c1	7
+FC(F)(F)Oc1cc(cc(Cl)c1OC)C(=O)O	1
+FC(F)(F)Oc1cccc(C(C)N)c1	474
+FC(F)(F)Oc1cc(N2CCC(N(CC2)C(CO)CCN3CC(O)C4(CC4)CC3)=O)ccc1	95
+FC(F)(F)Oc1cccc(c1)SC2CCOC(c3ccc(cc3)Cl)C2	2254
+FC(F)(F)Oc1cc(ccc1)S(=O)(=O)Nc2ccc(OC)c(C3CCN(CCC)C3)c2	15
+FC(F)(F)Oc1c(ccc(Br)c1)S(=O)(=O)N	336
+FC(F)(F)Oc1cc2ccc(nc2cc1)O	2900
+FC(F)(F)Oc1c(N)cc(cc1)C(Nc2cnc(Cl)cc2)=O	487
+FC(F)(F)Oc1ccc(C2CC(c3onc(OCC)n3)CN(C(=O)Oc4ccc(cc4)[N+](=O)[O-])C2)cc1F	66
+FC(F)(F)Oc1ccc(F)c(c1)Cc2n(Cc3ccc(cc3)Cl)c4c(n2)N(C)C(=O)NC4=O	9245
+FC(F)(F)Oc1cc(c(F)cc1)Cc2[nH]c3c(n2)C(=O)N(C(=O)N3C)Cc4ccc(cc4)OC	9246
+FC(F)(F)Oc1c(cc(N)cc1)NC(=O)CN2CCOCC2	0
+FC(F)(F)Oc1ccc(cc1)-c2nc(C(O)=O)c(C)[nH]2	6
+FC(F)(F)Oc1ccc(cc1)-c2cc(CCO)n(C)n2	21
+FC(F)(F)Oc1ccc(cc1)-c2cc(CNC(C(=C)N(C)S(=O)(=O)c3ccc(cc3)Cl)=O)ccn2	4712
+FC(F)(F)Oc1ccc(cc1)-c2cc(COc3ccc4c(ccn4CC(OCC)=O)c3)n(C)n2	20
+FC(F)(F)Oc1ccc(cc1)-c2cc(COc3cc4c(cc3)n(cc4)CC(=O)O)n(C)n2	3
+FC(F)(F)Oc1ccc(cc1)-c2cc(CO)n(C)n2	194
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C3CCCCC3)n2)Cc4ccc(cc4)C(=O)Nc5[nH]nnn5	4713
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C)n2)CCCO	44
+FC(F)(F)Oc1ccc(cc1)-c2cc(CC#N)n(C)n2	9247
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(c(cc3c2)CO)Cc4ccccc4	194
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(Cc4ccc(cc4)C)c(cc3c2)CO	194
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(Cc4ccc(cc4)C)c(cc3c2)COC(C)=O	204
+FC(F)(F)Oc1ccc(cc1)-c2ccc3c(cc(COC(C)=O)n3Cc4ccccc4)c2	204
+FC(F)(F)Oc1ccc(cc1)-c2cnc(nc2)Nc3cc(c(cc3)C)N	0
+FC(F)(F)Oc1ccc(cc1)-c2cc(CN)ccn2	107
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3cccc(OC(C)(C)C(O)=O)c3)c2	3
+FC(F)(F)Oc1ccc(cc1)-c2nn(c(c2)CCOc3cc4n(ccc4cc3)CC(O)=O)C	3
+FC(F)(F)Oc1ccc(cc1)-n2nc(nc2)-c3ccc(cc3)CCCN	45
+FC(F)(F)Oc1ccc(cc1)-n2ncc3c2ccc4c3ccc(c4)C=O	674
+FC(F)(F)Oc1ccc(cc1)-c2nccc(C#N)c2	140
+FC(F)(F)Oc1ccc(cc1)-c2ccc(nc2)N3CCN(C(OCC(=O)NC)=O)CCC3	89
+FC(F)(F)Oc1ccc(cc1)C=2C=CC=3N(C=2)C(=O)NN=3	2243
+FC(F)(F)Oc1ccc(cc1)-c2cc3ccn(Cc4ccccc4)c3cc2	11
+FC(F)(F)Oc1ccc(cc1)-c2ccc(cc2)OC(CCCCCC)c3ccc(cc3)C(=O)NCCC(=O)OC	11
+FC(F)(F)Oc1ccc(cc1)-c2cc3cc(C(OCC)=O)n(Cc4ccc(cc4)C)c3cc2	11
+FC(F)(F)Oc1ccc(cc1)-c2cc3c(cc2)n(Cc4ccccc4)c(C(OCC)=O)c3	11
+FC(F)(F)Oc1ccc(cc1)-c2cnc(nc2)Nc3cc([N+]([O-])=O)c(cc3)C	537
+FC(F)(F)Oc1ccc(cc1C(=O)O)Br	634
+FC(F)(F)Oc1ccc(cc1)C#CCCCOS(=O)(=O)C	7
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc3ccn(c3cc2)CC(OCC)=O	126
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc3c(ccn3C(C(OCC)=O)C)cc2	262
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2c3c(ccn3CC(O)=O)ccc2	3
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2ccc3ccn(C(C)C(=O)O)c3c2	3
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc3ccn(c3cc2)CC(=O)O	3
+FC(F)(F)Oc1ccc(cc1)C(=NO)COC	189
+FC(F)(F)Oc1ccc(cc1)C(COC)=O	155
+FC(F)(F)Oc1ccc(cc1)C(=O)NC(C#N)(Cn2ncc3cc(ccc23)[N+]([O-])=O)C	93
+FC(F)(F)Oc1ccc(cc1)C2(CC2)N3CCC(CC3)ON4C(=O)c5ccccc5C4=O	9248
+FC(F)(F)Oc1ccc(cc1)C2(CC2)N3CCC(CC3)ONC(=O)Nc4ccc(cc4)F	9249
+FC(F)(F)Oc1ccc(cc1)C2(CC2)N3CCC(CC3)ON	670
+FC(F)(F)Oc1ccc(cc1)C2=CN3C(=NN(CCc4c(F)cccc4F)C3=O)C=C2	9250
+FC(F)(F)Oc1ccc(cc1)CC(C#N)C#N	9251
+FC(F)(F)Oc1ccc(cc1)C=Cc2occ(CO)n2	9252
+FC(F)(F)Oc1ccc(cc1)CN2C(CC(C)C2=O)c3ccccc3-c4ccccc4	1737
+FC(F)(F)Oc1ccc(cc1)C2N(c3nnc(cc3)C)C(C(=C2C(=O)c4ccc(cc4)N(C)C)O)=O	4716
+FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(Oc3c(ncc(C(=O)O)c3)N)C2)=O	1
+FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(Oc3cc(cnc3N)C(NC)=O)C2)=O	56
+FC(F)(F)Oc1ccc(cc1)CC2CC(C(O)=O)CCN2C(OC)=O	4
+FC(F)(F)Oc1ccc(cc1)CNC(C)=O	9
+FC(F)(F)Oc1ccc(cc1)-c2[nH]c(c(n2)C(=O)OCC)C	4152
+FC(F)(F)Oc1ccc(cc1)CN(CCCN2Cc3c(ccc(CC(=O)OC)c3)CC2)c4ncc(cn4)CC	61
+FC(F)(F)Oc1ccc(cc1)CN(CCCN2Cc3cc(ccc3CC2)CC(=O)O)c4ncc(cn4)CC	4
+FC(F)(F)Oc1ccc(cc1)CN(CCC=O)c2ncc(cn2)CC	24
+FC(F)(F)Oc1ccc(cc1)CNCC	15
+FC(F)(F)Oc1ccc(cc1)CN(CCCO)c2ncc(cn2)CC	117
+FC(F)(F)Oc1ccc(cc1)COc2nc3c(cc2)cc(cc3)O	805
+FC(F)(F)Oc1ccc(cc1)CC2NCCC(C(OC)=O)C2	3861
+FC(F)(F)Oc1ccc(cc1)-n2cnc(n2)Br	4717
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc(c(nc2)Cl)Br	246
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc([N+]([O-])=O)c(cc2Cl)F	50
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc(Br)c(cc2)F	67
+FC(F)(F)Oc1ccc(cc1)NC2=C(c3ccccc3)S(=O)(=O)N(CCCC)C2=O	9253
+FC(F)(F)Oc1ccc(cc1)N2C(=O)C3(CCNCC3)CC2	25
+FC(F)(F)Oc1ccc(cc1)N2C(C3(CCN(CC3)S(=O)(=O)c4cnccc4)CC2)=O	1027
+FC(F)(F)Oc1ccc(cc1)N2CCC3(CCN(CC3)c4c(ccc(C)c4)OC)C2=O	79
+FC(F)(F)Oc1ccc(cc1)N2CCC3(CCN(CC3)c4nc(OCc5ccccc5)ccc4)C2=O	361
+FC(F)(F)Oc1ccc(cc1)N2C(=O)N(C(C)(C)C2=O)Cc3c4cc(O)ccc4ncc3	5
+FC(F)(F)Oc1ccc(cc1)N2CCC3(CCN(CC3)c4cc(ccc4O)C)C2=O	5
+FC(F)(F)Oc1ccc(cc1)N2CCC3(CCN(CC3)c4nc(O)ccc4)C2=O	700
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc(c(NCC(C)(C)O)cc2N3CCOCC3)N	0
+FC(F)(F)Oc1ccc(cc1)NC(CC)C(=O)N2c3ncccc3NC(=O)C2	4718
+FC(F)(F)Oc1ccc(cc1)NC(CC)C(=O)O	4
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)C(CN3CCNCC3)=O)=O	25
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCNCC2)=O	2
+FC(F)(F)Oc1ccc(cc1)NC(c2ccc(N3CC(O)CC3)c(c2)-c4cncnc4)=O	4719
+FC(F)(F)Oc1ccc(cc1)NCC(NC(C(CC2CCCCC2)NC(OCc3ccccc3)=O)=O)C	9
+FC(F)(F)Oc1ccc(cc1)NCC(C)N	102
+FC(F)(F)Oc1ccc(cc1)NCC(C)NC(C(CC2CCCCC2)NS(=O)(=O)c3cccc(c3)Cl)=O	1946
+FC(F)(F)Oc1ccc(cc1)NCC(NC(=O)C(N)CC2CCCCC2)C	334
+FC(F)(F)Oc1ccc(cc1)Nc2cc(N3CCCC3)cc(n2)-c4ccccc4	140
+FC(F)(F)Oc1ccc(cc1)Nc2nc(nc(n2)N3CCOCC3)NN	4720
+FC(F)(F)Oc1ccc(cc1)Oc2cc(C(F)(F)F)ccc2C(=O)Nc3ccnc(O)c3	46
+FC(F)(F)Oc1ccc(cc1)OC(CC)C(OCC)=O	289
+FC(F)(F)Oc1cc([N+]([O-])=O)c(cc1)O	31
+FC(F)(F)Oc1ccc(cc1)Oc2ccc(cc2C(Nc3cc(O)ncc3)=O)F	46
+FC(F)(F)Oc1ccc(cc1)OC(CC)C(=O)N2CC(Nc3ccc(C)nc23)=O	4718
+FC(F)(F)Oc1ccc(cc1)OC(CC)C(O)=O	3
+FC(F)(F)Oc1ccc(cc1)OCC(=O)O	32
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCC(O)CN2c3ccccc3CCc4c2cccc4	71
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCC(CC2c3ccccc3CCc4sccc24)O	71
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C3C4C(CN(C(=O)CC)C4)C3	69
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N2CCC(CC2)=NO	350
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCC(=O)CN2c3c(cccc3)CCc4c2cccc4	86
+FC(F)(F)Oc1c(-c2cc3c(C(C)(C)CC=C3C(C)C)cc2C)cc(cc1)C=C4C(=O)NC(=O)S4	377
+FC(F)(F)Oc1ccc(C2CC(c3onc(n3)OCC)CNC2)cc1F	2
+FC(F)(F)Oc1ccc(cc1NC(=O)CN2CCOCC2)NC(=O)c3cnc(-c4cc(F)cc(F)c4)cc3	140
+FC(F)(F)Oc1cc2c([n+](ccc2)[O-])cc1	9254
+FC(F)(F)Oc1ccc2nc(Nc3nc4cc(C(=O)O)ccc4n3C)sc2c1	1
+FC(F)(F)Oc1ccc2nc(sc2c1)Nc3nc4c(ccc(c4)C(=O)NCC(OC)=O)n3C	259
+FC(F)(F)Oc1ccc2nc(sc2c1)Nc3nc4cc(ccc4n3C)C(NCC(O)=O)=O	4
+FC(F)(F)Oc1ccc2nc(sc2c1)Nc3nc4c(n3C)ccc(C(NCC(NC)=O)=O)c4	9
+FC(F)(F)Oc1cccc(-c2cc(nn2-c3ccccc3)N)c1	1196
+c1cc(ccc1)C(c2ccccc2)CN(Cc3cc(ccc3)OC(F)(F)F)CCCOc4cc(CC(=O)OC)ccc4	131
+FC(F)(F)Oc1cc(Cc2[nH]c3N(C)C(=O)N(Cc4ccc(cc4)OC)C(=O)c3n2)ccc1	4722
+FC(F)(F)Oc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(N)s3)cc2)c1	3054
+FC(F)(F)Oc1cccc(CC(=O)Nc2nnc(CCCCC#N)cc2)c1	4723
+FC(F)(F)Oc1cccc(CC(=O)NC2=C(N(C)C(=O)N(C2=O)Cc3ccc(cc3)OC)N)c1	2428
+FC(F)(F)Oc1cccc(CC(Nc2ccc(nn2)Cl)=O)c1	142
+FC(F)(F)Oc1cccc(c1)C(NN)=O	1094
+FC(F)(F)Oc1cccc(c1)-c2nnc3ccc(nn23)C(O)=O	1968
+FC(F)(F)Oc1cccc(c1)Oc2ccc(Nc3c4c(ncn3)ccn4CCNC(CS(=O)(=O)C)=O)cc2C	9
+FC(F)(F)Oc1ccccc1-c2noc(c2COC)C3CC3	1043
+FC(F)(F)Oc1ccccc1-c2noc(C3CC3)c2CO	88
+FC(F)(F)Oc1c(-c2cc(c(C)n2CC3CCCO3)C(=O)OC)cccc1	9255
+FC(F)(F)Oc1c(cccc1)C(Nc2sc(C(=O)NCc3ccccc3)c(n2)C)=O	548
+FC(F)(F)Oc1c(C=NO)cccc1	135
+FC(F)(F)Oc1ccccc1CN2C(=O)C(C)CC2c3c(cccc3OC)OC	1737
+FC(F)(F)Oc1c(Cn2cc(nc2)-c3nccc(C#N)c3)cccc1	371
+FC(F)(F)S(=O)(=O)Oc1c(c(c(cc1)C#N)F)F	376
+FC(F)(F)S(=O)(=O)Oc1cc(c(CC(=O)OCC)cc1Cl)C	376
+FC(F)(F)S(=O)(=O)Oc1ccc2ccc(Oc3c4cc(c(cc4ncc3)OC)OC)cc2c1	376
+FC(F)(F)S(=O)(=O)Oc1c(C(OCC)=O)oc2c1cncc2	9256
+FC(F)(F)S(=O)(=O)Oc1cc2n(C)cnc2cc1	376
+FC(F)(F)S(=O)(=O)Oc1c(OC)cc(-c2oc3c(cccc3)n2)cc1	376
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2cnccc2NC(OC(C)c3c(cccc3)Cl)=O	376
+FC(F)(F)S(=O)(=O)Oc1cc2c(oc(c2C(NC)=O)-c3ccc(cc3)F)cc1CC(OC)=O	376
+FC(F)(F)S(=O)(=O)Oc1c2-c3c(C(c2ccc1)=O)c(nc(n3)N)-c4ccc(cc4)F	376
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2nc(c3cccc(C#N)c3c2)O	376
+FC(F)(F)S(=O)(=O)Oc1ccc(c2nc(c(Cc3ccc(cc3)Cl)c(c12)C)C)Cl	376
+FC(F)(F)S(=O)(=O)Oc1c(Cl)c(c(Cc2ccc(cc2)OC)cc1C(OC)=O)C	376
+FC(F)(F)S(=O)(=O)Oc1ccc2CCC(C(c2c1)Cc3ccc(c(Cl)c3)Cl)NC(=O)OCC	376
+FC(F)(F)S(=O)(=O)Oc1ccc(c(c1)F)N2C=C(C(C(=N2)c3n(-c4ccccc4)ncc3)=O)OC	376
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2c(oc3c2cccc3)Cc4ccccc4	376
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1C)nccc2	376
+FC(F)(F)S(=O)(=O)Oc1cc(c2scnc2c1)OC(C)C3CC(=O)NC3	376
+FC(F)(F)S(=O)(=O)Nc1c(C(=NOc2ccc(cc2)Cl)CC)cc(Cl)cc1	189
+FC(F)(F)S(=O)(=O)Nc1c([N+]([O-])=O)ccc(Oc2ccc(nn2)Cl)c1	31
+FC(F)(F)S(=O)(=O)Oc1ccc2C=CN(c3cc(ccc3C)C(=O)OC)C(=O)c2c1	9257
+c1ccccc1C#CC=2C=CN(Cc3cccc(F)c3)C(=O)C=2Br	9258
+c1ccccc1COc2cc3C(=C(C(=O)OC)N(CC(C)C)C(=O)c3cc2)c4ccccc4F	9259
+CCOC(=O)C=1CCCC=1c2c(cccc2)F	4724
+CC1(C)C=C(CC1(C)C)c2ccccc2[N+](=O)[O-]	2144
+c1cc(ccc1)C#CC2=NN(C(C=C2)=O)C(C)C	9260
+c1cc(ccc1F)CC=2C=C(N(C(=O)C=2[N+](=O)[O-])CC(OC)=O)C	9261
+c1c(C#N)cc(cc1)C2=C(C(=O)OC)CCC2	4724
+c1ccccc1C=CCN2CCC(CC2)NC3=CC(Oc4c3cc(Br)cc4)=O	9262
+c1(cc(F)ccc1)C2=CC(Oc3cc(C)ccc23)=O	9263
+c1(cc(cc(F)c1C2N(C(C)(C)Cc3c4ccccc4[nH]c23)CC(CF)C)C=CC(=O)OC)F	1645
+FC(F)(F)CN1CCCC(c2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2)C1	2532
+FC(F)(F)Cn1ncc(I)c1	9264
+FC(F)(F)COc1cnc2c(ccnc2c1)Cl	4655
+FC(F)(F)COc1ccc(cc1C(=O)OCC)OCc2ccccc2	9265
+C1CC(CCN1CC(F)F)Oc2c3c4c(n(S(=O)(=O)c5ccccc5)c3cnc2C#N)ncc(c4)Br	1645
+FC(F)(F)S(=O)(=O)Oc1cc(C2CCCN(C2)CC3Oc4c(cccc4)OC3)ccc1	166
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1Cl)CC(OC)=O	166
+FC(F)(F)S(=O)(=O)Oc1cc(Cl)c(c(Cl)c1)CC2CCN(C2=O)C3CCCCC3	166
+FC(F)(F)S(=O)(=O)Oc1cc(CC(=O)OC)cc(OC)c1	166
+FC(F)(F)S(=O)(=O)Oc1c(F)cccc1[N+](=O)[O-]	166
+FC(F)(F)S(=O)(=O)Oc1c(cc(c2cccnc12)Cl)C(=O)C	4599
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1C=O)-c2cccc(C#N)c2	166
+FC(F)(F)S(=O)(=O)Oc1c(ccc(F)c1)[N+]([O-])=O	166
+FC(F)(F)S(=O)(=O)OC1=C(Br)C(N(C=C1)Cc2cccc(F)c2)=O	9266
+FC(F)(F)S(=O)(=O)Oc1c2c(OC)nccc2n(-c3c(cccc3F)F)n1	9267
+FC(F)(F)S(=O)(=O)Nc1cc(OCc2nc3ccccc3cn2)ccc1	1422
+FC(F)(F)S(=O)(=O)Oc1c2c(cc(C#N)c(c2)F)ccc1	166
+FC(F)(F)S(=O)(=O)Oc1cc2ccc(cc2cn1)F	1062
+FC(F)(F)S(=O)(=O)Oc1c(c2c(cc1)cc(cc2)C=C)[N+]([O-])=O	166
+FC(F)(F)S(=O)(=O)Nc1cc(c(C)cc1C)N2C(CC2)=O	1422
+FC(F)(F)S(=O)(=O)Oc1nc(ccc1F)F	1062
+FC(F)(F)S(=O)(=O)Nc1cccc(c1)Oc2nnc(Cl)cc2	1422
+FC(F)(F)S(=O)(=O)Oc1cc(C=O)c(cc1)-c2ccc(OC)c(c2)Cl	166
+FC(F)(F)S(=O)(=O)Oc1c(C=O)c(F)ccc1OCC	166
+FC(F)(F)S(=O)(=O)OC=1c2c(OC(=O)C=1)ccc(Br)c2	9268
+FC(F)(F)S(=O)(=O)Oc1cc2c(Br)ccc(F)c2cn1	1062
+FC(F)(F)S(=O)(=O)Oc1ccc2c(c1)cccc2C(=O)OCC	166
+FC(F)(F)S(=O)(=O)Oc1cc2cnc(cc2cc1)C(OC)=O	166
+FC(F)(F)S(=O)(=O)Oc1cc2c([nH]c3ncc(cc23)F)cn1	1062
+FC(F)(F)S(=O)(=O)Oc1cc2c(cn1)[nH]c3ncc(OC)cc23	1062
+FC(F)(F)S(=O)(=O)Oc1nc2cc(ccc2cc1)F	1062
+FC(F)(F)S(=O)(=O)Oc1ccc2ncccc2c1	166
+FC(F)(F)S(=O)(=O)Oc1c(cc(CC(OC)=O)cc1)F	166
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2ccc(cc2)C#N	166
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)c(-c3ccc(cc3)Cl)ns2	166
+FC(F)(F)S(=O)(=O)Oc1ccc2c(c1)ccn2-c3ccc(cc3)F	166
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)C2CCC(CC2)CC(=O)OCC	166
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O	166
+FC(F)(F)S(=O)(=O)Oc1ncc2c3ccccc3c4ccccc4c2c1	1062
+FC(F)(F)S(=O)(=O)Oc1c(ccc(c1)OCc2ccccc2)C=O	166
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1)-n2c3ncc(cc3nc2)-c4cocc4	166
+FC(F)(F)S(=O)(=O)Oc1cc2ncccc2cc1	166
+FC(F)(F)S(=O)(=O)Oc1cccc2oc(C(OCC)=O)c(C)c12	166
+CC(C)(C)[Si](C)(C)OC1CCN(C1)c2ncc(cc2)N3C(=O)C=C(C=C3)OCc4ccccc4	655
+CC(C)(C)[Si](C)(C)OC(c1ccc(cc1)C#N)CN2CC(C(OCC)=O)CCC2	655
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(CC(OCc3ccccc3)CC2)F	655
+CC(C)(C)[Si](C)(C)OC1c2c3c(cc(cc3)OCc4ccccc4)ncc2CCC1	655
+c1cc(ccc1OC)-c2c(C(OC)=O)cc(Cc3c(C)c(OC)c(OC)c(c3OC)OC)cc2	368
+c1cc(ccc1-c2c3c(cc(CC(=O)OC)c2C)ccc(c3)Cl)[N+](=O)[O-]	368
+O=S(=O)(n1c2ccc(c(Cl)c2cc1C(F)F)C#N)c3ccccc3	763
+c1c2c(nc(-c3ccc(-c4cccnc4)c(OC)c3)o2)ccc1	4725
+c1cc(ccc1OCCN2CCCCC2)Oc3c4c(cc(OC)cc4)ccc3-c5c(F)c(F)ccc5	368
+FC(F)(F)Sc1ccc(cc1)Nc2ccc3cc(ccc3c2[N+](=O)[O-])C=C	9269
+c1cc(ccc1NC(=O)C)Sc2ccc(cc2[N+]([O-])=O)C	2255
+c1(c(cc(Cl)c(C)c1[N+]([O-])=O)C(=O)C)-c2cc(F)ccc2	368
+c1ccccc1COc2c(ccc(-c3c(-c4c(C)cccc4)ccc(C(=O)OC)n3)c2)Cl	9270
+c1cc(ccc1-c2nc(N)nc3-c4c(cccc4C(=O)c23)-c5cc(F)ccc5)F	368
+c1cc(ccc1S(=O)(=O)OCC2Oc3c(CC2)cccc3-c4cc(ccc4Cl)Cl)C	368
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C)c(c(c3)C)-c4c(C)cncc4C	9271
+N1(CC(c2cc(ccc2)N)CCC1)CC3COc4c(cccc4)O3	9272
+c1c(Cl)c(c(cc1-c2ccc(cc2)O)Cl)CC3CCN(C3=O)C4CCCCC4	368
+c1cc(ccc1-c2c(C)nc(c(C(N)=O)n2)C)-c3c(Cl)cc(CC(=O)OCC)c(C)c3	368
+O=C(OCC)Cc1c2cc(C#N)ccc2ccc1Cl	763
+c1c2c(cc(C#N)cc2)cc(OC)c1	763
+c1(n2c(nn1)ccc(-c3cnn(C)c3)n2)Sc4cc5c(nccc5)cc4C	4583
+C(Cc1c2c(ccc1Cl)cc(C#N)cc2)(OCC)=O	763
+c1cc(ccc1[N+]([O-])=O)-c2cc(C)c(C(=O)C)cc2	368
+c1(C=O)cc(Cl)c(cc1)-c2cc(ccc2)C#N	368
+c1ccccc1Cc2c(OC)ccc(-c3ccc(CCC#N)cc3CC(C)C)c2	368
+C(OC)CCOc1cc(CCC(OCC)=O)ccc1-c2cnccc2	4725
+c1cc(ccc1-c2c(cc(CCC(OCC)=O)cc2)OCCCOC)C=O	368
+FC1(F)CCN(c2cc(c(N3C=C(C(C(c4n(-c5ccccc5)ncc4)=N3)=O)OC)cc2)F)C1	908
+c1cc(ccc1-c2ccc(cc2)-c3c4c(cccc4)oc3Cc5ccccc5)C=O	368
+c1cc(ccc1-c2ccc(cc2)C#N)N3C4C(CN(C(OCc5ccccc5)=O)C4)CC3	908
+c1cc(ccc1-c2ccc(cc2)-c3c(ccnc3)NC(=O)OC(C)c4c(cccc4)Cl)C5(CC5)C(O)=O	368
+c1cc(ccc1N2CCCN(CC2)c3oc(C)nn3)-c4cc5c(cccc5C#N)c(O)n4	908
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)C(=O)O	9273
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)N	0
+c1cc(C#N)c(Cl)cc1CC(OC)=O	763
+c1cc(ccc1)C#Cc2c(cc(cc2)[N+](=O)[O-])NC(=O)CCC	9274
+C(OCC)(Cc1cc(OC)c(cc1)C#N)=O	763
+c12CCC(CC(OC)=O)c1ccc(C#N)c2C	763
+C(NC1C(Cc2cc(c(cc2)Cl)Cl)c3cc(ccc3CC1)C#N)(OCC)=O	763
+CC1(C)C(N(c2cc(ccc2N(CC)C1=O)C#N)C)=O	763
+c1cc(ccc1F)-c2c(c3c(ccc(c3)-c4cc(ccc4)C(O)=O)o2)C(NC)=O	368
+c1cc(ccc1O)-c2cc3cccc(c3cc2)C(OCC)=O	368
+c1cc(ccc1OC)-c2ccc3c(ccc(c3)OC)c2CC=C	368
+C1CN(CCC1)CCOc2ccc(cc2)C(c3c4c(cc(OS(=O)(=O)C)cc4)ccc3-c5ccc(cc5SC)F)=O	368
+Nc1cc2cc(Oc3ccnc4c3cc(c(OC)c4)OC)ccc2cc1	9275
+c1(c(F)ccc(F)n1)-c2cc(ncc2Cl)F	9276
+c1ccccc1-c2cc3c(c4ccccc4c5ccccc35)cn2	4726
+FC(F)(F)Sc1cc(cc(Br)c1)C(C)(C)C	480
+FC(F)(F)Sc1cc2c(n(cn2)C)nc1	3713
+CC(C)(C)c1cc(cc(c1)C#N)SC(F)(F)F	180
+FC(F)(F)Sc1ccc(nc1)NC	70
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(Cc3ccnc(n3)N)C2=O	1408
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(Cc3nc(NC(=O)Oc4ccccc4)ncc3)C2=O	4331
+FC(F)(F)Sc1ccc(cc1)N2C(=O)N(C(C)(C)C2=O)Cc3ccnc(c3)N	1670
+FC(F)(F)Sc1ccc(cc1)N2C(N(C(C)(C)C2=O)Cc3cc(NC(C)=O)ncc3)=O	1153
+FC(F)(F)Sc1ccc(cc1)Nc2ccc3c(ccc(c3)C=C)c2N	0
+FC(F)(F)Sc1cc(c(NC)nc1)N	3982
+FC(F)(F)C(O)c1ccccc1-n2cncc2	714
+FC(F)(F)C(CC1(C)c2cc(SC)ccc2OCC1)O	1634
+FC(F)(F)C(c1cc(C)c(c(c1)C)C#N)(O)C(c2ccc(OC)cc2Cl)C	1379
+FC(F)(F)C(CC1CCc2ccccc2O1)O	1634
+FC(F)(F)C(c1cc2c(cc1F)OCC(N2C)=O)(C(C)c3ccc(Br)cc3Cl)O	1379
+FC(F)(F)C(c1ccc2c(N(C)C(=O)CO2)c1)(O)C(c3c(cc(cc3)Br)Cl)C	1379
+FC(F)(F)C(O)c1ccc(cc1)-c2ccncc2	714
+FC(F)(F)C(C)(c1ccc(cc1)C#N)O	1379
+FC(F)(F)C(O)c1ccc(cc1)[N+]([O-])=O	714
+FC(F)(F)C(c1ccc(Br)cc1-c2ccccc2)O	714
+FC(F)(F)C(C(C)(C)C(c1ccccc1)c2ccc3c(cnn3-c4ccc(cc4)F)c2)O	1634
+FC(F)(F)c1ccc(CN2C(=O)N3C=CC(c4ccc(cc4)Cl)=C(c5ccncc5)C3=N2)c(COC(C)=O)n1	174
+FC(F)(F)c1[nH]c2c(cccc2OCCN3CCN(CC3)c4cccc(N=[N+]=[N-])c4[N+]([O-])=O)n1	34
+FC(F)(F)c1cc2c([nH]1)ncc(CN)c2	388
+FC(F)(F)c1[nH]c2c(cc(CNC(=O)c3cnc(nc3)-c4cc(ccc4)OCC)cc2)c1	484
+FC(F)(F)c1[nH]c2c(c1)cc(CN)cc2	107
+FC(F)(F)c1[nH]c2ccc(Nc3nn4c(-c5ccc(cc5)S(=O)(=O)C)ccc4cn3)cc2n1	9277
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(O)=O)c1	3
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(=O)Nc4[nH]nnn4)c1	2004
+FC(F)(F)c1n(nc(C(=O)OCC)c1)Cc2c(ccc(Br)c2)OCc3ccccc3	309
+FC(F)(F)c1ccn(-c2ncc(cc2)C)n1	3889
+FC(F)(F)c1ccn(-c2cc(c3ccc(OC)c(Cl)c3n2)OCc4ccc(cc4)OC)n1	4348
+FC(F)(F)c1[nH]ncc1CO	536
+FC(F)(F)c1nn(cc1C(OCC)=O)-c2ccccc2	568
+FC(F)(F)c1nn(cc1C(OCC)=O)Cc2ccc(cc2)OC	309
+FC(F)(F)c1n[nH]cc1C=O	576
+FC(F)(F)c1c(-c2nc3cc(ccc3[nH]2)C(O)=O)c(Cl)ccc1	1
+FC(F)(F)c1cccc(c1-c2[nH]c3cc(C(=O)Nc4nc5c(cc4)cccc5)ccc3n2)Cl	330
+FC(F)(F)c1c(-c2c(c(cn2C)C(=O)O)C)cccc1	1
+FC(F)(F)c1c(cccc1)-c2nc3c(C)cccc3cc2CNCc4ccc(cc4)OC	249
+FC(F)(F)c1c(cccc1)-c2n(C)cc(C(Nc3ccc(cc3)S(=O)(=O)C)=O)c2C	246
+FC(F)(F)c1c(cccc1)-c2cccc3c2CC(CN)O3	18
+CC(C)(C)c1c(Cl)c(-c2[nH]c3cc(nc(OC)c3n2)-c4ccccc4C(F)(F)F)n(n1)C	4276
+FC(F)(F)c1cccnc1-c2cc([N+](=O)[O-])c(cc2)Br	31
+FC(F)(F)c1c(nccc1OC)-c2cnc(c(C(O)=O)n2)N	1
+FC(F)(F)c1c(-c2nc(C(Nc3ncccc3N4CCC(CC4)(C)N)=O)c(nc2)N)nccc1OC	12
+FC(F)(F)c1cc2c(NC(C(=O)N2O)=O)cc1-n3c(C)ncc3	4727
+FC(F)(F)c1cc(ccc1-n2cnc(C)c2)N	0
+FC(F)(F)c1cc(N)ccc1-c2cc(ccc2)Cl	11
+FC(F)(F)c1cc(ccc1Br)NC(=O)Nc2ccc(cc2)Oc3cc(Cl)ncn3	124
+FC(F)(F)c1c(Br)ccc(c1)NCC(O)=O	4
+FC(F)(F)c1cc([N+]([O-])=O)ccc1-c2ncc(C)cc2	4728
+FC(F)(F)c1nc(N)c(C(=O)NNC(Cc2ccccc2)=O)nc1Br	708
+FC(F)(F)c1c(Br)nc(C(=O)NN)c(n1)N	2100
+FC(F)(F)c1c(C(NO)=N)c(ccc1)F	181
+FC(F)(F)c1cc(ccc1C(N)=NO)C=C	253
+FC(F)(F)c1c(cc(c(c1)N)I)C#N	235
+FC(F)(F)c1c(ccc(c1)N2C(=O)N(C(CO)(C2=O)c3ccc(cc3)C#N)C)C#N	4729
+FC(F)(F)c1c2ccn(C(C)c3cc(C#N)ccc3)c2ccc1C#N	4573
+FC(F)(F)c1c2cc(n(C(CO)C)c2ccc1C#N)C	95
+FC(F)(F)c1c(C#N)ccc2c1cc(C)n2C(C)CS(=O)(=O)C	991
+FC(F)(F)c1ccccc1C(=O)Nc2c(cn(n2)-c3c(cccc3)Cl)Cl	330
+FC(F)(F)c1ccccc1C(Nc2cc3c(c(c2)C(OC)=O)nc[nH]3)=O	50
+FC(F)(F)c1ccccc1C(NCC2(CC2)c3ncc(cn3)C)=O	93
+FC(F)(F)c1c(cn(C)n1)C(=O)NC(C(NC)=O)CN	12
+FC(F)(F)c1c(C(=O)NCCC(=O)Nc2ccc(cc2)C3CCC(CC3)CC(O)=O)nc(o1)-c4c(Cl)cccc4Cl	4
+FC(F)(F)c1ncccc1-c2nnc(-c3cc(c(c(OC)c3)OC)[N+]([O-])=O)o2	9278
+FC(F)(F)c1n(C)c2cc(ccc2c1C(NC)=O)OC	56
+FC(F)(F)c1cc(ccc1C(O)=O)I	158
+FC(F)(F)c1nn(cc1C(N(C2CCN(CC2)c3nnc(c(C)c3C)-c4ccc(cc4)F)C)=O)Cc5ccc(cc5)OC	1020
+FC(F)(F)c1c(cnc(N)n1)CO	9279
+FC(F)(F)c1nccc(N)c1C(=O)OC	912
+FC(F)(F)c1nc(ncc1C(=O)O)Nc2c(Cl)cc(cc2)Cl	1
+FC(F)(F)c1ccc2c(n1)nc(c(C(O)=O)c2)C(F)(F)F	6
+FC(F)(F)c1ccncc1C(C(C)C)O	1372
+FC(F)(F)c1c(C(=O)C)cnc(N2CCn3c(C2C(C)C)nc4cc(COC(C)=O)c(cc34)S(=O)(=O)C)n1	117
+FC(F)(F)c1c(cccc1)C(N2CCNCC2)=O	25
+FC(F)(F)c1c(C(N2CCN(CC2)c3ncc(s3)C(=O)NC)=O)cccc1	454
+FC(F)(F)c1c(C(N2CCN(CC2)c3sc(C(O)=O)cn3)=O)cccc1	1
+FC(F)(F)c1c(C(=O)NC(CNC(OC(C)(C)C)=O)C(=O)NC)cn(C)n1	248
+FC(F)(F)c1c(oc(n1)-c2ccccc2)C(=O)Nc3cnc(N4CC(=O)N(CC4)Cc5ccccc5)cc3	9280
+FC(F)(F)c1c(C(=O)C)cnc(Nc2cccc(Cl)c2)n1	4133
+FC(F)(F)c1cc(ncc1C(=O)O)Nc2ccc(cc2Cl)Cl	1
+FC(F)(F)c1c(CO)n(cc1)-c2ccc(cc2)Cl	398
+FC(F)(F)c1cccc(c1C)Cc2c(N)n[nH]c2N	4037
+FC(F)(F)c1c(C)c(Cn2c3cc(cc(c3nc2CF)Br)N)ccc1	0
+FC(F)(F)c1c(c(ccc1)Cn2c3c(c(Br)cc(c3)N)nc2C(F)F)C	0
+c1cc(ccc1)C(c2ccccc2)=Nc3c(C)c(c(C#N)cc3)C(F)(F)F	9281
+FC(F)(F)c1c(cc2N=C3C(N(CCCCCCC(OCC)=O)c2c1)=NC(O)=NC3=O)C	9282
+FC(F)(F)c1c(cc(I)c(N)c1)C	184
+FC(F)(F)c1c(ccc(NCCCCCCC(OCC)=O)c1)C	601
+FC(F)(F)c1nc2ccc(nn2c1C)C=O	1436
+FC(F)(F)c1c(C)nc(cc1)Oc2cccc(CP(OCC)(OCC)=O)c2	1060
+FC(F)(F)c1c(nc(cc1)Oc2cc(C=C3CCC4(OCCO4)CC3)ccc2)C	846
+CC(C)(C)OC(=O)N1CC=C(CC1)c2c(C(F)(F)F)cccc2	252
+FC(F)(F)c1c(cccc1)C2CCNCC2	25
+FC(F)(F)c1ccc(Cl)cc1CC2C(=O)c3cc(c(N4CCOCC4)cc3C2)OC	4730
+FC(F)(F)c1cccc2[nH]ccc12	4526
+FC(F)(F)c1c(C(C(OCC)C(N2C(=O)OCC2Cc3ccccc3)=O)O)ccc(OCc4ccccc4)c1	4731
+FC(F)(F)c1cc(Nc2ccc(cc2Cl)Cl)ncc1CNCc3ccc(cc3)F	249
+FC(F)(F)c1c(ccc(c1)C(=O)OC)CNC	370
+FC(F)(F)c1cc(I)ccc1Cn2ccc(NC(c3c(cccc3F)F)=O)n2	309
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(c4cc(c(s4)OC)-c5ccnn5C)=O	227
+FC(F)(F)c1ccccc1CC(NC(=O)c2sc(c(-c3c(cnn3C)F)c2)Cl)CN4C(c5ccccc5C4=O)=O	227
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(c4c(n(C)c(-c5ccnn5C)c4)Cl)=O	56
+FC(F)(F)c1ccccc1CC(NC(c2scc(c2)-c3n(nc(Cl)c3CC)C)=O)CN4C(c5ccccc5C4=O)=O	227
+FC(F)(F)c1cc(ccc1CC2CCCCC2)CO	49
+FC(F)(F)c1[nH]c2c(Br)cccc2c1CCCO	44
+FC(F)(F)c1nn(CC(=O)Nc2c(c3c(CCCC3)s2)C(=O)N)cc1CCNC	285
+FC(F)(F)c1c(CN2CCN(CC2)CC)ccc(c1)NC(=O)Cc3c(cc(Br)cc3)F	33
+FC(F)(F)c1c(ccc(N2CCOCC2)c1)CN3CCN(C(ON4C(CCC4=O)=O)=O)C(C)(C)C3	613
+FC(F)(F)c1c(C=O)cnc(Nc2ccc(cc2Cl)Cl)c1	200
+FC(F)(F)c1c(cnc(n1)Nc2cccc(Cl)c2)C=O	1195
+FC(F)(F)c1c(n(-c2ccc(cc2)Cl)cc1)COc3c(cc(cc3F)CCC(OCC)=O)F	20
+FC(F)(F)c1c(Cl)c(ncn1)-c2c(cc(c(O)c2)Cl)F	5
+FC(F)(F)c1c(Cl)c(-c2cc(c(cc2F)Cl)OC)ncn1	198
+FC(F)(F)c1cnc2c(c(NC(=O)c3nccnc3)c[nH]2)c1Cl	1285
+FC(F)(F)c1cc2c(c([N+]([O-])=O)c1Cl)n(c(C)n2)CC	4732
+FC(F)(F)c1cc(C=2C=C(O)C(=O)N(C=2)C(C)C)ccc1Cl	4733
+FC(F)(F)c1c(Cl)ccc(Oc2ccc(cc2C#N)C=O)c1	46
+FC(F)(F)c1cc(Oc2ccc(cc2)C=O)ccc1Cl	46
+FC(F)(F)c1c(Cl)ccc(c1)Oc2c(C#N)cc(CO)cc2	41
+FC(F)(F)c1cc(C(=O)O)ccc1-c2ccccc2	667
+FC(F)(F)c1c(nc(Cl)nc1)NC	40
+FC(F)(F)c1c(nc(nc1)SC)Cl	1721
+FC(F)(F)c1c(Cl)nc(nc1)Nc2ccc(cc2)C(=O)OCc3ccccc3	55
+FC(F)(F)c1c(Cl)nc(Nc2ccc(OC)nc2)nc1	949
+FC(F)(F)c1c(Cn2c3ccc(cc3c(n2)-c4ccc(cc4)F)C=O)ccc(Cl)c1	1624
+FC(F)(F)c1cccc(C(c2ccc(cc2)OC)=O)c1F	705
+FC(F)(F)c1c(c(F)c(c(F)c1F)-n2nccc2N)F	2257
+FC(F)(F)c1c(F)c(F)c(c(F)c1F)-n2c(NC(=O)C)c([N+]([O-])=O)cn2	4734
+FC(F)(F)c1c(F)c(C(N(OC)C)=O)ccc1	280
+FC(F)(F)c1c(cc(C(N2C(c3c(C2=O)cccc3)=O)CN(C(=O)OC(C)(C)C)C)cc1)F	2131
+FC(F)(F)c1c(F)cc(cc1)C2CN(C(N3CCSCC3)=O)CC(C2)C(O)=O	4
+FC(F)(F)c1ccc(CC(Nc2c(nc(NCc3ccc(cc3)F)cc2)N4CCCC4)=O)cc1F	469
+FC(F)(F)c1ccc(C(C(Nc2sccn2)=O)CC3CCCC3)cc1F	373
+FC(F)(F)c1ccc(cc1F)C2CN(C(=O)N3CCSCC3)CC(c4nc(OCC)no4)C2	4090
+FC(F)(F)c1c(F)cc(cc1)CN(C2C(c3cc(F)c(cc3)Cl)CN(Cc4ccccc4)C2)C	48
+FC(F)(F)c1ccc(cc1F)CN(C2C(CNC2)c3cc(c(cc3)Cl)F)C	25
+FC(F)(F)c1c(cc(cc1F)CCC2NCCCc3n(nc(C)c23)CC)F	2967
+FC(F)(F)c1cc2c(cn(c2cc1F)C)CN3C(C4=CC=C(n5cc(nc5)C)C(=O)N4CC3)=O	3055
+FC(F)(F)c1c(ccc(-c2cnc([nH]2)N3CCN(CC3)c4ncnc5c4c[nH]n5)c1)F	1577
+FC(F)(F)c1c(F)ccc(c1)Oc2c(C#N)cc(CO)cc2	41
+FC(F)(F)c1c(F)ccc(c1)Oc2c(cc(CSc3nc(O)c(cn3)Cc4cnc(nc4)OC)cc2)C#N	3561
+FC(F)(F)c1c(cc2c(NC(CC(=N2)c3cc(ccc3)-c4onc(C)c4)=O)c1)N5CCSCC5	1222
+FC(F)(F)c1c(c(ccc1)C(Nc2ccccc2)=O)N=[N+]=[N-]	67
+FC(F)(F)c1c2NC(c3cccnc3N(CC)c2nc(C)c1)=O	4735
+FC(F)(F)c1cc(ccc1N2C(=NNC2=O)CC3CCN(C3)C(=O)C4CC4)Br	2585
+FC(F)(F)c1ccccc1NC2CCN(CC2)C(=O)CNC(c3ccc(cc3)Nc4ccccc4)=O	10
+FC(F)(F)c1c(cc2c([nH]cc2)c1)OC	9283
+FC(F)(F)c1ccc(C(=O)N(C)OC)cc1OC	280
+FC(F)(F)c1c(cc2c(cn(C)c2c1)C)O	5
+FC(F)(F)c1c(nc(C(OC)=O)c(-n2c(C)ccc2C)c1)O	104
+FC(F)(F)c1c(cc(NC(OC(C)(C)C)=O)c(N)c1)OCC	0
+FC(F)(F)c1c(OCC)ccc(-c2nc(c(c(c2)N)N)C#N)c1	13
+FC(F)(F)c1cc(ccc1OCC2CCN(CC2)C)N	0
+FC(F)(F)c1cc(ccc1OCCCCCCC)CP(OCC)(OCC)=O	1060
+FC(F)(F)c1cc(ccc1OCCO)-c2nc(C#N)c3ncn(C)c3c2	1165
+FC(F)(F)c1c(ccc(c1)-c2nc(C#N)c3ncn(C)c3c2)OCOCCOC	1165
+FC(F)(F)c1c(cccc1)S(=O)(=O)Nc2c(-c3ccc(cc3)CO)nccn2	696
+FC(F)(F)c1c(ccc(C(CC2CCCC2)C(Nc3ncc(cc3)[N+](=O)[O-])=O)c1)SC	142
+FC(F)(F)c1ccc(cc1[N+](=O)[O-])-c2cn3c(ccc(c3)Br)n2	440
+FC(F)(F)c1ccc(cc1[N+](=O)[O-])-c2cn3nc(Cl)ccc3n2	1749
+FC(F)(F)c1c(nc(cc1)Cl)Cl	174
+FC(F)(F)c1nn(-c2ccc(cc2)CCO)c(C)c1-c3ccccc3	800
+FC(F)(F)c1cc(C=CC(=O)N2C(COC2=O)Cc3ccccc3)cc(c1N)Cl	2632
+FC(F)(F)c1c(-c2ccc(cc2)S(=O)(=O)N3CCOCC3)c(Cl)cc(N)c1	11
+FC(F)(F)c1c(C(=O)n2c3c(c(ccc3)F)c(I)n2)c(Cl)ccc1	9284
+FC(F)(F)c1c(c(ccc1)Cn2c3c(nc2C(F)F)c(cc(c3)N4CCOCC4)C(O)=O)C	1
+FC(F)(F)c1c2C(N(C(c3c(OC)cccc3)Nc2ccn1)C(Cc4ccccc4)C)=O	4736
+FC(F)(F)c1cccc(N2CC(CC2)OCC#C)c1CN3CCNCC3	2
+FC(F)(F)c1ccc(OCc2ccccc2)c3c1cc(C(OCC)=O)[nH]3	3056
+FC(F)(F)c1c(c(C#N)cc(-n2c(nc(C)c2)C)c1)N	3057
+FC(F)(F)c1cc(cc(c1N)Cl)CO	49
+FC(F)(F)c1cc(cc([N+](=O)[O-])c1N)Cl	106
+FC(F)(F)c1c(C)c(ccc1)Cn2c3c(c(Br)cc([N+](=O)[O-])c3)nc2C(F)F	505
+FC(F)(F)c1c(C)c(Cn2c3c(c(cc([N+](=O)[O-])c3)Br)nc2CF)ccc1	505
+FC(F)(F)c1c(c(CN2C(C(=CN(C2=O)c3ccc(cc3)N4CCOC4=O)C#N)=O)ccc1)C	1819
+FC(F)(F)c1c(C)c(ccc1C#N)N	685
+FC(F)(F)c1cc2c3c(CCC(P(OCC)(OCC)=O)N3C(C(=O)N2)=O)c1N	0
+FC(F)(F)c1c(CCCOc2cc(C)c(c(c2)C)Cl)c3cccc(c3n1CC(=O)O)-c4c(C)nn(C)c4C	3
+FC(F)(F)c1ccc(C#Cc2nnc(OCc3ccccc3)c(c2)OCc4ccccc4)cc1C	455
+FC(F)(F)c1c(F)cc(cc1)C(C(=O)O)CC2CCCC2	4
+FC(F)(F)c1cc(NC(=O)c2cnc(F)cc2)c(Cl)cc1Br	971
+FC(F)(F)c1cc2c(N=C(CC(=O)N2)c3cccc(c3)-c4ccnn4C)cc1N(C)C	690
+FC(F)(F)c1c(cc(c(NC(=O)CC(c2cc(-c3ccc(OC)nn3)ccc2)=O)c1)N)N(C)C	78
+CC(C)(C)OC(=O)Nc1cc(N(C)C)c(C(F)(F)F)cc1N	0
+FC(F)(F)c1c(C)cc(c(c1)NCCCCCCC(OCC)=O)N	0
+FC(F)(F)c1c(cc2nc(ccc2c1)O)F	9285
+FC(F)(F)c1cc2c(cc1N(C)C)N=C(c3cc(ccc3)-c4nnc(cc4)OC)CC(=O)N2	1222
+FC(F)(F)c1c(cc2N=C(CC(=O)Nc2c1)c3cc(ccc3)-c4onc(C)c4)C	690
+FC(F)(F)c1cc(c(cc1C)C#N)N	0
+FC(F)(F)c1c(C#N)cc(I)c(NS(=O)(=O)C)c1	80
+FC(F)(F)c1c(N2CCSCC2)cc(N)c(c1)NC(CC(=O)c3cccc(-c4cc(no4)C)c3)=O	78
+FC(F)(F)c1ccc(cc1Nc2c(-c3ccncn3)cccn2)C(=O)O	6
+FC(F)(F)c1c(cc(cc1F)CCC(OCCCC)=O)F	159
+FC(F)(F)c1c(F)cc(cc1F)CCC(NCCCc2cc(C)nn2CC)=O	9
+FC(F)(F)c1c(cc(cc1F)CCC(O)=O)F	1317
+FC(F)(F)c1c(F)cc2c(c1)N(C(CC2=NO)C)C(=O)OC(C)C	189
+FC(F)(F)c1cc2NCCc2cc1OC	931
+FC(F)(F)c1c(cc2cc([nH]c2c1)C(CSCC)(C)O)C#N	2550
+FC(F)(F)c1c(F)ccc(-c2c[nH]c(n2)N3CCNCC3)c1	25
+FC(F)(F)c1cc(-c2cc3n(nnc3c(C#N)n2)C)ccc1OCC4CN(c5ccccn5)CC4	262
+FC(F)(F)c1c(ccc(-c2cc3n(nnc3c(C#N)n2)C)c1)O	2986
+FC(F)(F)c1c(OCCO)ccc(B(O)O)c1	168
+FC(F)(F)c1cc(C#N)ccc1Oc2c(OC)cc(C=O)cc2	46
+FC(F)(F)c1cc(C(=O)O)ccc1N2CCCCC2C	872
+FC(F)(F)c1cc(C(C(OCC)=O)CC(C)C)ccc1[N+]([O-])=O	4475
+FC(F)(F)c1c(-c2noc(c2)CC(=O)O)ccc(C3CC3)c1	9286
+FC(F)(F)c1cc(ccc1N)N2CCOCC2	0
+FC(F)(F)c1c(ccc(NC(Nc2ccc(cc2)Oc3ncnc(SC)c3)=O)c1)Cl	124
+FC(F)(F)c1cc(N2C(C3(CCN(CC3)C)N(c4ccc(cc4)C)C2=S)=N)ccc1C#N	9287
+FC(F)(F)c1c(ccc(NC(NCCCN(C(C)C)CC2C(O)C(O)C(n3c4ncnc(N)c4nc3)O2)=O)c1)Cl	265
+FC(F)(F)c1c(ccc(c1)NC(OCc2ccccc2)=O)CCF	559
+FC(F)(F)c1c(cc([N+]([O-])=O)c(NCCCCCCC(OCC)=O)c1)C	77
+FC(F)(F)c1nc(O)ccc1[N+]([O-])=O	104
+FC(F)(F)c1c(ccc(Oc2c(Cl)cc(C(=O)NS(=O)(=O)C)c(F)c2)c1)Cl	258
+FC(F)(F)c1c(Cl)ccc(S(=O)(=O)Nc2c(C=O)ncc(c2)Cl)c1	2258
+FC(F)(F)c1c(ccc(S(=O)(=O)Nc2c(ncc(c2)Cl)C(c3c(ccc(c3)-n4nccc4)Cl)=O)c1)Cl	2258
+FC(F)(F)c1cc(ccc1OCCOCc2ccccc2)[N+]([O-])=O	57
+FC(F)(F)c1c(ccc(-c2cc3n(nnc3c(C#N)n2)C)c1)OCCCO	2259
+FC(F)(F)c1c(ccc(-c2cc3n(nnc3c(C#N)n2)C)c1)OCOCCOC	2259
+FC(F)(F)c1cc(ccc1OCCCOS(=O)(=O)C)-c2cc3c(ncn3C4CCCCO4)c(C#N)n2	7
+FC(F)(F)c1cc(ccc1OCCCOS(=O)(=O)C)-c2nc(C#N)c3ncn(C)c3c2	7
+FC(F)(F)c1c(ccc(c1)-c2cc3n(C)cnc3c(C#N)n2)O	2986
+FC(F)(F)c1cc(N2C(C(NC2=O)(COCC=C)c3ccc(cc3)C#N)=O)ccc1C#N	4737
+FC(F)(F)c1cc(N2C(=O)NC(c3ccc(cc3)F)(COCC=C)C2=O)ccc1C#N	4737
+FC(F)(F)c1cc(ccc1F)NC(=O)c2c3ccc(cc3ccc2)Oc4ccnc(N)n4	67
+FC(F)(F)c1cc(Nc2nc(cc(O)n2)CCC)ccc1F	1334
+FC(F)(F)c1c(OCCOCc2ccccc2)ccc(c1)NC(=O)Cc3c(cc(cc3F)Br)F	26
+FC(F)(F)c1cc(N2CCOCC2)ccc1Nc3c4c(ccc(c4)-c5cccs5)ncn3	1373
+FC(F)(F)c1c(ccc(N)c1)CCF	890
+FC(F)(F)c1c(ccc(c1)Nc2ncnc(NN)n2)F	4196
+FC(F)(F)c1cc(OCc2nc(-c3c(F)cccc3)oc2C)ccc1CC(C(OC)=O)OCC	547
+FC(F)(F)c1cc(OC)ccc1Nc2ccc(c(F)c2)C#N	230
+FC(F)(F)c1cc(OC)ccc1Nc2ccc(cc2)C#N	230
+FC(F)(F)c1cc(S(=O)(=O)N(c2cc(cnc2C(O)c3cc(ccc3Cl)-n4cccn4)Cl)COC)ccc1Cl	3059
+FC(F)(F)c1c(ccc(S(=O)(=O)N(COC)c2cc(Cl)cnc2C(c3cccc(C)c3Cl)=O)c1)Cl	4564
+FC(F)(F)c1c(ccc(S(=O)(=O)Nc2nccnc2C(=O)O)c1)Cl	1
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)NC(=S)N)Cl	1099
+FC(F)(F)c1c(ccc(S(=O)(=O)c2ccc(cc2)N)c1)Cl	0
+FC(F)(F)c1cc(cc(Cl)c1N)[N+](=O)[O-]	196
+FC(F)(F)c1c(OC)ccc(N)c1	0
+FC(F)(F)c1c2c(ccc1C#N)n(Cc3oc(nn3)-c4cncc(Br)c4)c(CC)c2	9288
+FC(F)(F)c1c(-c2c3c(OC(C3)CN=[N+]=[N-])ccc2)cccc1	4738
+FC(F)(F)c1ccccc1-c2c(cc(cc2)C(=O)O)OCC	1
+FC(F)(F)c1ccccc1-c2c(cc3c(c(ccc3)C)n2)CN	2260
+FC(F)(F)c1ccccc1C2(CCN(CC2)Cc3ccccc3)O	251
+FC(F)(F)c1c(cccc1)C(N2CCN(CC2)c3cc([N+](=O)[O-])c(cc3)N)=O	9289
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3ccc(cn3)N	13
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3ncc(cc3)NC(=O)CCc4ccccc4	308
+FC(F)(F)c1c(cccc1)C(=O)N2CCN(CC2)c3cc(c(cc3)N)N	0
+FC(F)(F)c1c(C(=O)N2CCN(CC2)C(CNC(c3ccccc3O)=O)=O)cccc1	10
+FC(F)(F)c1c(C(N2CCN(CC2)c3sc(cn3)C(OC)=O)=O)cccc1	641
+FC(F)(F)c1ccccc1C(N2CCN(CC2)c3nnc(N)cc3)=O	212
+FC(F)(F)c1c(cccc1)C(Oc2cc(sc2C(OC)=O)-n3c4cc(ccc4nc3)CSC)C	1672
+FC(F)(F)c1c(cccc1)C(Oc2c(C(OC)=O)sc(-n3c4c(ccc(CCl)c4)nc3)c2)C	2845
+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4cc(ccc4nc3)CSC)C)cccc1	1355
+FC(F)(F)c1ccccc1C2CCN(CC2)C(c3ccc(nn3)Cl)=O	147
+FC(F)(F)c1c(CC(N)CN2C(c3c(cccc3)C2=O)=O)cccc1	12
+FC(F)(F)c1ccccc1CCC2NCCNC2	25
+FC(F)(F)c1c(cccc1)COC2CNC2	2
+FC(F)(F)c1c(cccc1)COC2CN(C2)c3ccc(nn3)C(=O)NN	1726
+FC(F)(F)c1c(cccc1)COC2CN(C2)c3ccc(C(OC)=O)nn3	212
+FC(F)(F)c1c(cccc1)S(=O)(=O)Nc2nccnc2-c3ccc(cc3)CN(C)c4ccccc4	2786
+FC(F)(F)c1c(cccn1)-c2ccc3n(n2)cc(-c4cc(c(cc4)C)N)n3	0
+FC(F)(F)c1c(cccn1)-c2ccc3nc(cn3n2)-c4ccc(c(NC(=O)c5cccc(Br)c5)c4)C	50
+FC(F)(F)c1c(C(=O)NNC(=O)c2cc(OC)c(c([N+](=O)[O-])c2)OC)cccn1	4739
+FC(F)(F)c1nn(cc1CO)Cc2cc3c(C(CC3)NC(OCc4ccccc4)=O)cc2	536
+FC(F)(F)c1nc(N)ncc1C=O	1195
+FC(F)(F)c1nc(ncc1C(NCc2ccccc2)=O)Nc3cccc(Cl)c3	484
+FC(F)(F)c1c(C(O)C)cnc(Nc2cccc(Cl)c2)n1	4135
+FC(F)(F)c1c(cnn1-c2ccc(Cl)cc2Cl)C(=O)N	1356
+FC(F)(F)c1n(-c2ccc(Cl)cc2Cl)ncc1C#N	4740
+FC(F)(F)c1c(cnn1-c2c(Cl)cc(cc2)Cl)C(=O)O	6
+FC(F)(F)c1c(cnn1-c2cccc(-c3cc(F)ccc3C=Cc4ccc(cc4C)OC)n2)C(=O)OCC	1265
+FC(F)(F)c1c(cnn1-c2cccc(-c3cc(F)ccc3CCc4ccc(OC)cc4C)n2)C(=O)OCC	1442
+FC(F)(F)c1c(cnn1-c2cccc(-c3cc(F)ccc3CCc4c(cc(cc4)O)C)n2)C(=O)OCC	5
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(-c4ccc(cc4)C=O)n3	39
+FC(F)(F)c1c(cnn1-c2ccccc2)-c3onc(n3)-c4ccc(cc4)CO	9290
+FC(F)(F)c1n(ncc1C(=O)OCC)-c2nc(-c3ccccc3OCc4ccc(cc4)OCCOC)ccc2	22
+FC(F)(F)c1c(CC2CCC(CC2)(F)F)n3c(cc(cc3Cl)C(=O)O)n1	6
+FC(F)(F)c1ccc(nc1-c2ccc(cc2)OC)NCCCOc3ccc4C(CCc4c3)CC(=O)OCC	140
+c1cc(ccc1CN(Cc2ccc(cc2)OC)c3ccc(C(F)(F)F)c(Cl)n3)OC	43
+FC(F)(F)c1c(nc(cc1)Oc2cc(ccc2)C=C3CCC(CC3)N)C	316
+FC(F)(F)c1c(nc(cc1)Oc2cc(C=C3CCC(CC3)=O)ccc2)C	97
+FC(F)(F)c1cnc(nc1I)SC	9291
+FC(F)(F)c1nc2c(nc1-c3c(Cl)cc(C(=O)O)cc3)ccc(c2)O	5
+FC(F)(F)c1cc(cnc1N2CCN(CC2)C(OCc3ccccc3)=O)NC(C)=O	9292
+FC(F)(F)c1c(ncc(c1)Br)N2CCN(CC2)C(OCc3ccccc3)=O	66
+FC(F)(F)c1c(nccc1)N2CCN(CC2)c3nc(Nc4ccc(cc4)C)cc(N5CCCCC5)n3	73
+FC(F)(F)c1scnc1-c2ccc3c(nccc3Cl)n2	9293
+FC(F)(F)c1c(noc1-c2nc(no2)-c3ccc(cc3)C(CN4CC(C(=O)O)CC(O)C4)O)-c5ccccc5	170
+FC(F)(F)c1c(oc(-c2ccccc2)n1)C(Nc3cnc(N4CCNC(C4)=O)cc3)=O	9294
+FC(F)(F)c1c(sc(CNC(=O)OC(C)(C)C)n1)C(N)=S	9295
+FC(F)(F)c1c2c(n(-c3ccc(cc3)C#N)n1)CCCC2	568
+FC(F)(F)c1nn(-c2ccc(cc2)CC(OCC)=O)c3c1CCCC3	901
+FC(F)(F)c1c2CCN(CC(NC)=O)Cc2n(CC(Nc3cc(ccc3OC)Cl)=O)n1	271
+FC(F)(F)c1c2c(CCNC2)ccc1	318
+FC(F)(F)c1c2c(OCc3ccccc3)c(Br)ccc2nc(O)c1	22
+FC(F)(F)c1c2c(CC(C)(C)CC2=O)n(-c3cc(c(cc3)C#N)Br)n1	926
+FC(F)(F)c1c2c(nc(c1)OC(C)C)ccc(Br)c2O	16
+FC(F)(F)c1c2c(c(ccn2)-c3cccc(C=O)c3)ccc1	699
+FC(F)(F)c1c2c(c(c(cc2)OCCCN(C)C(=O)Nc3nc(C)ccc3)CCC)on1	9296
+FC(F)(F)c1c2c(c(c(OCCCNC)cc2)CCC)on1	132
+FC(F)(F)c1c2c(ccc1)c(-c3cccc(c3)CNc4cccc5c(cccc45)CC(=O)O)ccn2	208
+FC(F)(F)c1c2c(c(n(Cc3c(cc(cc3F)F)F)n2)-c4cc(ccc4)C#Cc5cccc(C(NC)=O)c5)ccc1	14
+FC(F)(F)c1c2c(c(n(Cc3c(cc(cc3F)F)F)n2)-c4cc(ccc4)C#Cc5cccc(C(=O)O)c5)ccc1	6
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)N(OC)C	1012
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(c4)S(=O)(=O)CCCO)ccc3Cl)nc(C)nc12	304
+FC(F)(F)c1nn(c2c1CCCC2)-c3ccc(cc3)CN	107
+FC(F)(F)c1c2cc(n(c2ccc1C#N)C(COS(=O)(=O)C)C)C	7
+FC(F)(F)c1c(C#N)ccc2n(C(CSC)C)c(cc12)C	786
+FC(F)(F)c1c2c(nc(O)c1)n3c(cc2)nc(C(NN)=O)c3	4742
+FC(F)(F)c1cc(cn2c(c(nc12)C(OCC)=O)Cl)-c3ccco3	9297
+FC(F)(F)c1cccn2c(-c3cc(Oc4cc(S(=O)(=O)C)ccc4)ccc3)c(nc12)C	46
+FC(F)(F)c1c2c(ccc1)c(c(C(O)=O)cn2)-c3ccccc3	6
+FC(F)(F)c1c2ncc(c(-c3ccccc3)c2ccc1)C(=O)c4cccc(C)c4	3060
+FC(F)(F)c1c[nH]c2nccc(Nc3ccc(N)cc3F)c12	0
+FC(F)(F)c1cc(-c2[nH]c(nc2)C3CCC(CC3)CNCC)ccc1	15
+FC(F)(F)c1cc(-c2[nH]c(nc2)C3CCC(CC3)CN)ccc1	102
+FC(F)(F)c1cc(-c2[nH]c(C3CCC(CC3)CNC(C)=O)nc2)ccc1	68
+FC(F)(F)c1cccc(-c2c(C)cc3c(c2Oc4ccc(cc4)C=O)ccc(OC)c3)c1	9298
+FC(F)(F)c1cc(-c2c(cc(cc2)NCc3c(cccc3F)F)F)n(C)n1	162
+FC(F)(F)c1cc(ccc1)-c2cc(C(NC)C)ccc2OCC(OC)=O	1607
+FC(F)(F)c1nc(-n2cnc(I)c2)nc(-c3cc(Cl)c(Cl)cc3)c1	937
+FC(F)(F)c1cc(-c2ccc(C=O)c(C)n2)ccc1	200
+FC(F)(F)c1nn(c(c1)-c2ccc(cc2)-c3cc(ccc3)S(=O)(=O)C)CC(O)=O	3
+FC(F)(F)c1cc(OC)c(CNc2ccc(-c3ccc(cc3)Cl)c(c2)Cl)c(c1)-c4ccc(cc4)C(OC)=O	208
+FC(F)(F)c1cc(-c2ccc(cc2)CCNS(=O)(=O)C)n(-c3ccc(cc3)Cl)n1	111
+FC(F)(F)c1cc(-c2ccc(cc2)CCN)n(-c3ccc(cc3)Cl)n1	45
+FC(F)(F)c1cc(-c2ccc(cc2)CCOS(=O)(=O)C)n(-c3ccc(cc3)Cl)n1	7
+FC(F)(F)c1cc(-c2ccc(cc2)CCN3C(=O)c4ccccc4C3=O)n(-c5ccc(cc5)Cl)n1	896
+FC(F)(F)c1cc(-c2ccc(cn2)N3CCN(CC3)C(OCC(NC)=O)=O)ccc1	271
+FC(F)(F)c1nccc(-c2cnc(C(Nc3nc(N4C(C(C)F)COC4=O)ccn3)C)cc2)c1	1333
+FC(F)(F)c1cccc(-c2cnn3c(nnc3n2)C)c1	4743
+FC(F)(F)c1c(ncc(-c2nc(c3c(n(nn3)C)c2)C#N)c1)OCCC4CCN(CC4)C(=O)OC(C)(C)C	2259
+FC(F)(F)c1cccc(-c2nc3ccc(S(=O)(=O)C)cc3c(C(O)=O)c2CN4CCC(CC4)N5CCCCC5)c1	1
+FC(F)(F)c1cc(-c2nc3c(cc2)N4CCC(N3C(=O)Nc5cc(-c6cnco6)cc(-c7cnco7)c5)C4)ccc1	2792
+FC(F)(F)c1cc(-c2ncc(NC(c3cc(ccc3N)N4CCCCC4)=O)nc2)ccc1	0
+FC(F)(F)c1c(OCC)nc(c(c1)-n2c(C)ccc2C)C(=O)O	1
+FC(F)(F)c1cc(OC)c2c(n3c(c(C)nc3-c4c(cncc4)C)nn2)c1	2051
+FC(F)(F)c1cc(-n2cnc(C)c2)c(c(Cl)c1)N	0
+FC(F)(F)c1cc2c(c(c1)Cl)nnc3c(C)ncn23	2051
+FC(F)(F)c1cc(ccc1F)-c2nc(C=O)ccc2	119
+FC(F)(F)c1c(ccc(c1)-c2nc(C#N)c3ncn(C)c3c2)OCCCO	1165
+FC(F)(F)c1cc(B(O)O)ccc1OCCCO	168
+FC(F)(F)c1c(ccc(B(O)O)c1)OCCOC2CCCCO2	579
+FC(F)(F)c1cc(Br)c2ncc(C(OCC)=O)n2c1	9299
+FC(F)(F)c1cc(c2c(c1)NCC2)Br	931
+FC(F)(F)c1cc2c(scc2)c(c1)Br	1539
+FC(F)(F)c1cc(c2n(c1)c(cn2)C(O)=O)Br	6
+FC(F)(F)c1cc(Br)cc(N2CCN(CC2)C(C)=O)c1	58
+FC(F)(F)c1cc(Br)cc(N2CCNCC2)c1	2
+FC(F)(F)c1cc2cc[nH]c2cc1F	4574
+FC(F)(F)c1cc(c(-c2cc(S(=O)(=O)Cl)c(OC)cc2Cl)cn1)C#N	240
+FC(F)(F)c1cc(Oc2c(c(C)ccc2Cl)F)cc(c1)C#N	46
+FC(F)(F)c1c(ccc(C#N)c1)Oc2c(cc(cc2)C=C3C(=O)NC(=S)S3)OC	1149
+FC(F)(F)c1cc(C(NO)=N)nc(C(C)C)n1	958
+FC(F)(F)c1cc([N+](=O)[O-])cc(c1)C=O	760
+FC(F)(F)c1cc(N)cc(c1)C(=O)Nc2cc(-c3n4c(cc(n4)-c5ccncc5)ncc3)ccc2	0
+FC(F)(F)c1cc(C(Nc2cc(NC(=O)c3cnc(SC)nc3N)c(C)cc2)=O)ccc1	9300
+FC(F)(F)c1c(ccc(-c2onc(-c3cc(c(S(=O)(=O)N)cc3)CC)n2)c1)-c4ccccc4	2185
+FC(F)(F)c1cc(-c2onc(n2)-c3cc4c(cc3)nc[nH]4)ccc1N5C(CCCC5)C	529
+FC(F)(F)c1cc(CO)ccc1OCCCCCCC	49
+FC(F)(F)c1cc(C(OC)=O)cc(c1)N	0
+FC(F)(F)c1cc(cc(c1)C(NN)=O)[N+]([O-])=O	296
+FC(F)(F)c1cc(ccc1-c2cscc2C)C(=O)O	1
+FC(F)(F)c1c(CC2CCCCC2)ccc(c1)C(=O)O	1
+FC(F)(F)c1c(ccc(c1)C(=O)O)CN2CCN(CC2)C(=O)OC(C)(C)C	1
+FC(F)(F)c1c(SC)ccc(c1)C(C(O)=O)CC2CCCC2	411
+FC(F)(F)c1cc(C(CC(C)C)C(O)=O)ccc1[N+]([O-])=O	3
+FC(F)(F)c1cc(ccc1N)C(C(OCC)=O)CC(C)C	0
+FC(F)(F)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1O	31
+FC(F)(F)c1c(N)ccc(C(=O)C)c1	0
+FC(F)(F)c1cc(C(F)(F)F)ccc1Cn2c3ccc(cc3c(n2)Cl)C=O	823
+FC(F)(F)c1cc(C(F)(F)F)ccc1Cn2nc(Cl)c3cc(C=C4C(N=C(S4)N5CC(CO)OCC5)=O)ccc23	1149
+FC(F)(F)c1cc(C(NCC(=O)NC2CCN(C3C(NCc4ccccc4)CCCC3)C2)=O)ccc1	42
+FC(F)(F)c1cc(C(NCC(=O)NC2CCN(C2)C3C(N)CCCC3)=O)ccc1	18
+FC(F)(F)c1cc(C(NCC(NC2CN(C2)C3CCC(CC3)c4ccc(cc4)CC(=N)N)=O)=O)ccc1	3824
+FC(F)(F)c1nc(C(C)C)nc(C2=NC(=O)ON2)c1	1988
+FC(F)(F)c1cc(C(=O)O)c(Cl)c([N+](=O)[O-])c1	31
+FC(F)(F)c1cc(CO)cc(-n2nnnc2C)c1	49
+FC(F)(F)c1c(OCC2CC2)ccc(c1)CO	49
+FC(F)(F)c1cc(C(O)=O)cc(-n2nnnc2C)c1	1
+FC(F)(F)c1cc(C(OC)=O)cc(-n2nnnc2C)c1	9301
+FC(F)(F)c1ccc(Oc2cccc(CC(=O)OC)c2)c(c1)C=O	1054
+FC(F)(F)c1cc(C2CC2)n(n1)-c3c(cc(cc3F)[N+](=O)[O-])F	926
+FC(F)(F)c1cc(N)cc(c1)C2CCN(CC2)C	191
+FC(F)(F)c1cc(cc(Cl)c1N)CCC(N2C(OCC2Cc3ccccc3)=O)=O	1320
+FC(F)(F)c1cccc(C=2Oc3c(C(=O)O)cccc3C(=O)C=2)c1	9302
+FC(F)(F)c1cc(C(=NO)Cl)c(cc1)F	761
+FC(F)(F)c1cc(c(-c2c(OC)ccc(CC(OCC)=O)c2)cc1)CO	41
+FC(F)(F)c1cc(CNCc2ccccc2)c(-c3cc(CC(=O)OC)ccc3OC)cc1	42
+FC(F)(F)c1cc(c(cc1)OCOC)CO	41
+FC(F)(F)c1cc2c(sc(C(=O)OC)c2)c(c1)Br	1425
+FC(F)(F)c1cc(c(Oc2cccc(c2)C(C(=O)O)C)cc1)CN3CCOC3=O	9303
+FC(F)(F)c1cc(Cn2c3c(c(I)c2C(OCC)=O)cc(-c4ccc(cc4)OC)cc3)ccc1	190
+FC(F)(F)c1cc(ccc1)CC(NC(CCCc2ccccc2)=O)C(O)c3ccc(cc3)F	9
+FC(F)(F)c1cc(CC(Nc2ncc(N3CCN(CC3)C(C)=O)cc2)=O)ccc1-c4cc(ncc4)C	498
+FC(F)(F)c1cc(cc(CN2CCN(CC2)C)c1)N	0
+FC(F)(F)c1cc(CNC(Nc2ccc(C=O)c(c2)F)=O)n(-c3cccc(c3)Cl)n1	39
+FC(F)(F)c1cc(cc(c1)CNC(C)C)C(=O)Nc2cc(c(C)cc2)Nc3cc(nn3-c4ncnc(NC)c4)C	67
+FC(F)(F)c1ccc(c(CN(CC)S(=O)(=O)c2ccc3c(cccc3)c2)c1)Oc4cc(ccc4)CC(OC)=O	92
+FC(F)(F)c1cc(cc(c1)COS(=O)(=O)C)-n2c(C)nnn2	7
+FC(F)(F)c1cc(COc2ccc3c(c4c(C(CC(=O)O)CC4)[nH]3)c2)ccc1CC5CCCCC5	3
+FC(F)(F)c1cnc(-c2ccc3N(C(=O)Nc3c2)C(C)C)c(c1)Cl	1019
+FC(F)(F)c1cc(Cl)c(c(c1)Cl)Oc2cc([nH]n2)C	9304
+FC(F)(F)c1cc(c(S(=O)(=O)Nc2cc(Cl)c(c(c2)Cl)Oc3sc4cc(ccc4n3)[N+]([O-])=O)cc1)Cl	1523
+FC(F)(F)c1cc(Cl)c(-c2cc(N)c(NC(C)C)cc2)nc1	0
+FC(F)(F)c1cc(cc(Cl)c1)C(NC)C	1607
+FC(F)(F)c1cccc(c1C=O)Cl	9305
+FC(F)(F)c1cc(Cl)ccc1-c2c(cc(N)c(c2)N)Cl	0
+FC(F)(F)c1cc(ccc1C(C(=O)O)CCCCl)Cl	4
+FC(F)(F)c1cc(ccc1C(CCCCl)C#N)Cl	143
+FC(F)(F)c1c(Cn2nc(c3c2ccc(C=O)c3)Br)ccc(Cl)c1	823
+FC(F)(F)c1cc(Cl)n[nH]1	9306
+FC(F)(F)c1c2c(n[nH]c2I)nc(Cl)c1	4744
+FC(F)(F)c1ccnc(N2C3C(C(O)(c4ccccc4)CC2)CCCC3)c1	43
+FC(F)(F)c1ncnc(N)c1	266
+FC(F)(F)c1cccc(Cn2c3c(c(-c4cccc(C(C)=O)c4)c2C(OCC)=O)cc(cc3)-c5ccc(cc5)OC)c1	9307
+FC(F)(F)c1ccc(c(c1)F)CCC(NCCCc2cc(C)nn2CC)=O	9
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(c3cc(S(=O)(=O)C)ccc3SCC)=O	30
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(c3cc(ccc3SC)S(=O)(=O)C)=O	30
+FC(F)(F)c1cc(c(c(Cl)c1)-n2c(N)ccn2)F	2257
+FC(F)(F)c1cc(-n2cc(C)nc2)c(c(Cl)c1)[N+]([O-])=O	431
+FC(F)(F)c1cc(F)c(cc1)-c2c3c(n(cn3)-c4ccc(cc4)O)ncn2	5
+FC(F)(F)c1cc(F)c(cc1)C(C2CC2C#N)O	74
+FC(F)(F)c1cc(c(C(c2c3cc(cc(c3[nH]c2)CS(=O)(=O)C)F)C4CC4C#N)cc1)F	2523
+FC(F)(F)c1cc(cc([N+](=O)[O-])c1NC(C)=O)Oc2ccc(cc2)C=O	46
+FC(F)(F)c1cc(F)cc([N+]([O-])=O)c1NC(C)=O	31
+FC(F)(F)c1cc(-c2cccc(N)c2)c3c(ncn3-c4ccccc4)c1	4745
+FC(F)(F)c1cc(c(C(=O)N)nc1)N	1200
+FC(F)(F)c1cc2nc(nc(O)c2cc1)-c3ccccc3SCC	748
+FC(F)(F)c1ccc2S(=O)(=O)Nc3c4c(cccn4)c(cc3-c2c1)F	1763
+FC(F)(F)c1cc(N)c(S(=O)(=O)Nc2cccc3c(OC)ccnc23)cc1	9308
+FC(F)(F)c1cc-2c(S(=O)(=O)Nc3c-2cc(c4cccnc34)Cl)cc1	1763
+FC(F)(F)c1cc(c2c(c1)-c3ccc4c(c3NS2(=O)=O)nccc4OC)N	9309
+FC(F)(F)c1cc(Br)c2c(c1)[nH]cc2	9310
+FC(F)(F)c1cc(cc(c1)N)CN(C)C	162
+FC(F)(F)c1cc(NC(=O)Oc2ccccc2)n(-c3ccccc3)n1	278
+FC(F)(F)c1cc(NC(NS(=O)(=O)c2sc(CCOC(=O)C)c(c2)C)=O)nc(C(OC)=O)c1	4746
+FC(F)(F)c1cc(ccc1)N2C(=C(C(O)=O)C(NC2=O)c3c(S(=O)(=O)C(C)C)cc(cc3)C#N)C	9311
+FC(F)(F)c1cc(N2C(C)=C(C(c3ccc(cc3[N+]([O-])=O)C#N)NC2=O)C#N)ccc1	4747
+FC(F)(F)c1c(C#N)ccc(c1)N2C(N(C)C(CO)(c3ccc(cc3)F)C2=O)=O	4729
+FC(F)(F)c1cc(N2C(C)=C(C(NC2=O)c3c(cc(cc3)C#N)S(=O)(=O)C(C)C)C#N)ccc1	4747
+FC(F)(F)c1cc(ccc1)N2C(NC(C(C(=O)O)=C2C)c3ccc(cc3)C#N)=O	108
+FC(F)(F)c1cc(N2C(C)=C(C=C(C2=O)C(NCc3ccc(cc3)S(=O)(=O)C)=O)C(=N)NO)ccc1	9312
+FC(F)(F)c1cccc(c1)N2C(C(C(=O)NCc3ccc(cc3)S(=O)(=O)C)=CC=C2C)=O	4748
+FC(F)(F)c1cc(ccc1)N2C=C(O)C(=O)C(c3ccnn3-c4ccccc4)=N2	9313
+FC(F)(F)c1c(NC(Cc2ccc(cc2)F)=O)c(Br)cc(c1)N3CCOCC3	26
+FC(F)(F)c1nn(-c2ccccc2)c(c1)NC(=O)Nc3cccc(Sc4ncnc5cc(OC)c(cc45)OC)c3	446
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(-c3cc([N+](=O)[O-])ccc3)c(cc2)C	1762
+FC(F)(F)c1cc(ccc1-n2ccnc2C)NC(=O)c3cc(Nc4nc5c(cccc5)n4-c6cc(ncn6)N)c(C)cc3	1494
+FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)Br)ccc1Cl	648
+FC(F)(F)c1cc(NC(NS(=O)(=O)c2cc(c(CCO)s2)C)=O)nc(C(OC)=O)c1	59
+FC(F)(F)c1cc(Nc2cc(cc(-c3sc(nc3)C4(O)CCc5c4ccc(C(=O)O)c5)n2)C)ncc1	1
+FC(F)(F)c1c(ccc(c1)Nc2nc(NN)nc(Cl)n2)F	4720
+FC(F)(F)c1cc(cc(Nc2ncc(c(n2)Nc3c(C(=O)NC)cccc3)Cl)c1)N	0
+FC(F)(F)c1c(F)ccc(Oc2ccc(cc2C#N)C=O)c1	46
+FC(F)(F)c1cc(c(CCN)cc1)OC	157
+FC(F)(F)c1cc(OC)ccc1Nc2ccc(c(F)c2)CN	107
+FC(F)(F)c1cc(OC)ccc1Nc2ccc(cc2)CN	107
+FC(F)(F)c1cc(OCC(Cn2nnc3cc(c(cc23)C)N)=NOC)ccc1	0
+FC(F)(F)c1cc(c(C=O)cc1)O	9314
+FC(F)(F)c1c(ccc(c1)O)CC(C(OC)=O)OCC	16
+FC(F)(F)c1c(ccc(OCc2nc(-c3c(F)cccc3)oc2C)c1)CC(C(=O)O)OCC	4
+FC(F)(F)c1cc(Oc2cc(cc(c2)Sc3ccc(c(c3)C)OCC(=O)O)C#CCN4CCOCC4)ccc1	3
+FC(F)(F)c1cc(Oc2ccc(cc2)CCO)ccc1Cl	1709
+FC(F)(F)c1cc(Oc2ccc(cc2)CO)ccc1Cl	41
+FC(F)(F)c1cc(Oc2ccc(cc2)C=C)ccc1Cl	4749
+FC(F)(F)c1cc(Oc2ccc(cc2)CCNc3ncc(c(O)n3)Cc4cnc(nc4)C)ccc1Cl	785
+FC(F)(F)c1cc(Oc2ccc(cc2)CCI)ccc1Cl	4750
+FC(F)(F)c1cc(Oc2ccc(cc2)CCOC3=NC(N4C(N(CCC4)C)=C3)=O)ccc1Cl	2468
+FC(F)(F)c1cc(Oc2ccc(cc2)CCN)ccc1Cl	157
+FC(F)(F)c1cc(Oc2ccc(cc2)CSc3ncc(CO)c(O)n3)ccc1Cl	897
+FC(F)(F)c1c(ccc(S(=O)(=O)Nc2c(ncc(Cl)c2)C3OC(c4c3c(Cl)ccc4)=O)c1)Cl	2258
+FC(F)(F)c1c(ccc(S(=O)(=O)N(c2cc(Cl)cnc2C(c3c(ccc(c3)-n4cccn4)Cl)=O)COC)c1)Cl	2229
+FC(F)(F)c1cc(cc(c1)S(=O)(=O)N2CC3(C(=O)NCC3)CCC2)C	2471
+FC(F)(F)c1cccc(SC2C(COCC2)c3ccc(cc3)Cl)c1	2254
+FC(F)(F)c1cc(SC2CCOC(c3n(nc(Br)c3)C)C2)ccc1	2254
+FC(F)(F)c1cc(ccc1)SC(C)C2CN(C(=O)C2)Cc3ccc(cc3)OC	4103
+FC(F)(F)c1c(-n2c(ncc2)C)cc(c(c1)[N+]([O-])=O)NC(=O)C(=O)OCC	994
+CC(C)(C)OC(N(C)C1CN(CCC1)c2c(cc(C(F)(F)F)cc2)N)=O	0
+FC(F)(F)c1cc(N)c(N2CCCCC2)c(c1)C(=O)Nc3ccc(c(Cl)c3)Cl	0
+FC(F)(F)c1cc(cc(-c2cnco2)c1)N	0
+FC(F)(F)c1cc(cc(N)c1)O	0
+FC(F)(F)c1cc([N+](=O)[O-])cc(-c2ocnc2)c1	2939
+FC(F)(F)c1ccc(Nc2c(OC)cc(c(c2)CC)OC)c(N)c1	0
+FC(F)(F)c1cc(N)c(S(=O)(=O)Nc2c3nccc(c3ccc2Cl)OC)cc1	0
+FC(F)(F)c1c(N)c(cc(c1)N)Br	0
+FC(F)(F)c1cc([N+]([O-])=O)ccc1-c2ncc(cc2)Cn3ncc4nc(nc4c3)-c5c(F)c(ccc5)F	9315
+FC(F)(F)c1cc(N)ccc1-c2ccc(cn2)Cn3ncc4nc(nc4c3)-c5c(F)c(ccc5)F	0
+FC(F)(F)c1cc(C2=Cc3c(c(ncc3N(Cc4ccccc4)C2=O)C(=O)OC)O)ccc1	1510
+FC(F)(F)c1cnc(-c2c(F)cc(Cl)c(c2[N+](=O)[O-])O)c(c1)Cl	31
+FC(F)(F)c1cc(c(cn1)-c2c(Cl)cc(c(S(=O)(=O)N(C)c3ccccc3)c2)OC)C#N	416
+FC(F)(F)c1c(cc(c([N+]([O-])=O)c1)C#N)C	180
+FC(F)(F)c1cc(N)c(c(Br)c1)C#C	75
+FC(F)(F)c1cnc(c([N+]([O-])=O)c1)C(N)=O	862
+FC(F)(F)c1cc2c(nc1)c(nc(-c3ccccc3SCC)n2)O	9316
+FC(F)(F)c1cc(c(C(NC2C(CCC2)N)=O)c(SC)c1)OC	12
+FC(F)(F)c1ccc(c(Cn2nc(nn2)C)c1)C=CC(O)=O	108
+FC(F)(F)c1cc(c(cc1)CCNC(c2ccc(cc2)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl)=O)OC	14
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)[N+]([O-])=O	136
+FC(F)(F)c1cc(cc(I)c1)Cl	480
+FC(F)(F)c1cc2NC(=O)CC(c3ccnc(-c4cnccc4)c3)=Nc2cc1OCC	690
+FC(F)(F)c1ccc2c(c1)NC(=O)N2C3CCC(CC3)O	1019
+FC(F)(F)c1cc(N)c(NC2CCCCC2)cc1	0
+FC(F)(F)c1ccc(c(C=2CCCCC=2c3nc(ccc3)C(=O)OCC)c1)OCc4ccccc4	3061
+FC(F)(F)c1cnc(S)c(c1)N	13
+FC(F)(F)c1cc(c(c(-n2cc(C)nc2-c3c(cncc3)C)c1)[N+]([O-])=O)OC	9317
+FC(F)(F)c1cc(-n2c(nc(c2)C)-c3c(cncc3)C)c(c(c1)OC)N	0
+FC(F)(F)c1cc(SC)c(C(=O)NC2(c3ccccc3)CCCN(C(=O)OCc4ccccc4)C2)c(OC)c1	93
+FC(F)(F)c1cc(C(=O)Nc2cc(Cl)c(Cl)cc2)c(c(c1)[N+]([O-])=O)Cl	50
+FC(F)(F)c1cc(F)c(cc1)-c2c3c(ncn2)n(-c4ccc(cc4)OC)cn3	2853
+FC(F)(F)c1cc(c(cc1)-c2c3c(cc(cc3)S(=O)(=O)Nc4nccs4)n(C)c2)-c5n(ncc5)C	4752
+FC(F)(F)c1cc(C=O)c(Br)cc1	39
+FC(F)(F)c1cc(c(cc1)Br)SC2CC(c3ccc(cc3)Cl)OCC2	2254
+FC(F)(F)c1cc(F)c(C(=O)Nc2cc(O)ncc2)cc1	104
+FC(F)(F)c1cc(F)c(cc1)C(=O)NCCn2cc(nc2)C(OC)=O	14
+FC(F)(F)c1cc(c(cc1)CCNC(c2ccc(cc2)Oc3cc4OCCC(c4cc3Cl)C(O)=O)=O)OC	3
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CNc3ccccc3)CC2C)=O	93
+FC(F)(F)c1ccc(Oc2c(OC)ccc(CC(=O)OCC)c2)c(c1)C=O	46
+FC(F)(F)c1cc(OC(F)F)c(cc1)Oc2cc3occc3cc2	46
+FC(F)(F)c1ccc(I)c(c1)CO	611
+FC(F)(F)c1cc(c(cc1)N(CC2CCC(CC2)CC(=O)OCC)CC)CO	41
+FC(F)(F)c1cc(NC(=O)C2CCC3(CC2)CC(=O)N(c4ccccc4)C3)c(N)cc1	33
+CC(C)(C)[Si](C)(C)OC1CCCN(C1)c2ccc(C(F)(F)F)cc2N	0
+FC(F)(F)c1cc(NC(=O)c2ccncc2)c(N3c4c(cccc4)CC3)cc1	50
+FC(F)(F)c1cc(c(NC2CCC(CC2)O)cc1)N	0
+FC(F)(F)c1ccc(O)c(c1)C(=O)C=CN(C)C	277
+FC(F)(F)c1cc(c(cc1)OCc2ccccc2)CO	22
+FC(F)(F)c1ccc(O)c(Cn2ncnc2)c1	9318
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)O	3
+FC(F)(F)c1cc(c(cc1)O)CO	241
+FC(F)(F)c1ccc(c(c1)CN=[N+]=[N-])OCc2ccccc2	925
+FC(F)(F)c1ccc(Oc2cccc(CC(O)=O)c2)c(c1)CN(S(=O)(=O)c3ccc(cc3)Cl)C	92
+FC(F)(F)c1cc(Cl)c(cc1)S(=O)(=O)Nc2cc(Cl)c(c(Cl)c2)O	69
+FC(F)(F)c1ccc(c([N+]([O-])=O)c1)S(=O)(=O)Nc2c3c(c(cc2)F)cccn3	322
+FC(F)(F)c1ccc(S(=O)(=O)Nc2ccc(c3cccnc23)Cl)c([N+]([O-])=O)c1	322
+FC(F)(F)c1cc([N+]([O-])=O)c(cc1)S(=O)(=O)Nc2c3nccc(c3ccc2Cl)OC	322
+FC(F)(F)c1cc(C2CCN(CC2)C(=O)OC(C)(C)C)c(cc1)Sc3ccc(cc3)Cl	564
+FC(F)(F)c1ccc(cc1C)C#N	480
+FC(F)(F)c1cc([N+](=O)[O-])c(N)cc1-n2ccnc2C	2067
+FC(F)(F)c1cc(c(cn1)-c2c(cc(O)c(S(=O)(=O)N(c3ccccc3)C)c2)Cl)C#N	5
+FC(F)(F)c1cc(C#N)c(cn1)-c2ccc(cc2Cl)OC	89
+FC(F)(F)c1ncc(c(N)c1)I	1724
+FC(F)(F)c1cc(c(S)nc1)[N+](=O)[O-]	9319
+FC(F)(F)c1cc(c(C#N)nc1)[N+](=O)[O-]	1958
+FC(F)(F)c1ccc2c(c1)-c3ccc4c(nccc4OC)c3NS2(=O)=O	480
+FC(F)(F)c1cc(c2cc(-c3cc4ccccc4o3)ccc2n1)O	3062
+FC(F)(F)c1cc(Cl)c2nc(C(NS(=O)(=O)c3c(ccc(CC)c3)Cl)=O)cn2c1	9320
+FC(F)(F)c1cc(cc(N)c1)-c2nnc(o2)C	0
+FC(F)(F)c1cc(cc(Br)c1)C(N(C)CC(c2ccc(cc2)F)CC=O)=O	465
+FC(F)(F)c1cc(cc(N(C)C)c1)C=O	9321
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2CCc3nc(CN)ccc3C2c4ccc(cc4)F)C	421
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2C(c3c(nc(C#N)cc3)CC2)c4ccc(cc4)F)C	9322
+FC(F)(F)c1cc(-c2ccc(cc2)C#N)cc(CO)c1	11
+FC(F)(F)c1cc(cc(c1)I)C=O	39
+FC(F)(F)c1cc(cc(CO)c1)I	9323
+FC(F)(F)c1cc(cc(COC(=O)C)n1)CC	174
+FC(F)(F)c1cc(cc(n1)CO)CC	59
+FC(F)(F)c1cc(cc(COCC2(CCNCC2)c3ccc(F)cc3Br)c1)-c4ccc(cc4)C#N	2
+FC(F)(F)c1cc(cc(Cl)c1)Oc2ccc(cc2)CCO	1709
+FC(F)(F)c1cc(cc(Cl)c1)Oc2ccc(cc2)CCOC(N)=N	4753
+FC(F)(F)c1cc(cc(Oc2ccc(cc2)CCOc3ncc(c(n3)O)Cc4cnc(nc4)OC)c1)Cl	3063
+FC(F)(F)c1cc(N)cc(Cl)c1N	0
+FC(F)(F)c1cc(cc(N(C)C)c1)C=C[N+]([O-])=O	417
+FC(F)(F)c1cc(C=2CCN(CC=2)C)cc(N)c1	352
+FC(F)(F)c1cc(O)cc(I)c1	158
+FC(F)(F)c1cc(cc(c1)O)N=C(N)N	4755
+FC(F)(F)c1cc(Nc2ncc(c(Nc3c(C(=O)NC)cccc3)n2)Cl)cc([N+](=O)[O-])c1	55
+FC(F)(F)c1cc(cc(N)c1)CCCN2CCOCC2	106
+FC(F)(F)c1cc(cc(c1)[N+](=O)[O-])CO	49
+FC(F)(F)c1cc(C(=O)N(OC)C)cc([N+](=O)[O-])c1	280
+FC(F)(F)c1cc([N+](=O)[O-])cc(O)c1	5
+FC(F)(F)c1cc(cc(c1N)N)Cl	0
+FC(F)(F)c1cc(Oc2c(Cl)ccc(CN)c2F)cc(c1)C#N	1551
+FC(F)(F)c1cc(cc(-c2nnc(o2)C)c1)[N+]([O-])=O	2959
+FC(F)(F)c1cc(Cl)cc(c1)C(=O)C	1024
+FC(F)(F)c1cc(cc(CO)c1)N	0
+FC(F)(F)c1cc(N)cc(C(=O)N(C)C)c1	0
+FC(F)(F)c1c(c(Cl)cc(C=O)c1)N	39
+FC(F)(F)c1cc(cc(C=O)n1)CC	178
+FC(F)(F)c1nc(Cl)cc(CSC)c1	1672
+FC(F)(F)c1cccc(-c2c3OC(Cc3ccc2)CN=[N+]=[N-])c1	254
+FC(F)(F)c1cc(ccc1)-c2cc(ccc2OCC(=O)O)C(C)N(C)S(=O)(=O)c3ccc(cc3)F	4
+FC(F)(F)c1cc(ccc1)-c2cc(C(C)N(C)S(=O)(=O)c3ccc(cc3)F)ccc2OCC(OC)=O	92
+FC(F)(F)c1cc(-c2cc3c(cc2)nccc3SC4(CCC4)C(=O)O)ccc1	3
+FC(F)(F)c1cc(-c2ccc(c(n2)C)CO)ccc1	88
+FC(F)(F)c1cccc(-c2nnc3c(C(OC(=O)Oc4ccccc4)CC(C3)C)c2)c1	405
+FC(F)(F)c1cc(ccc1)-n2cc(N)nc2	1901
+FC(F)(F)c1cc(-c2[nH]c(C3CCC(CC3)CNC(OCc4ccccc4)=O)nc2)ccc1	2841
+FC(F)(F)c1cccc(C(Nc2ccc(c(C(O)=O)c2)Cl)=O)c1	50
+FC(F)(F)c1cc(C(NCC(O)=O)=O)ccc1	946
+FC(F)(F)c1cccc(c1)C(Nc2c(C)cc(C)c(Br)c2C)=O	50
+FC(F)(F)c1cccc(c1)C(Nc2cc(c(C)nc2)I)=O	660
+FC(F)(F)c1cc(C(Nc2ccnc(c2)Cl)=O)ccc1	50
+FC(F)(F)c1cccc(C(Nc2cc(c(F)cc2)[N+](=O)[O-])=O)c1	50
+FC(F)(F)c1cccc(C(=O)Nc2cc(ccc2)C(=O)OC)c1	50
+FC(F)(F)c1cc(C(NC2C(CN(CCNc3ncccn3)CC2)O)=O)ccc1	93
+FC(F)(F)c1cc(ccc1)CC2NC(OC2c3ccc(cc3)F)=O	3064
+FC(F)(F)c1cc(ccc1)CC(C(=O)O)C(c2ccc(cc2)F)O	3
+FC(F)(F)c1cc(ccc1)CC(C(=O)OCC)C(c2ccc(cc2)F)O	2261
+FC(F)(F)c1cc(CC(N)C(c2ccc(cc2)F)O)ccc1	886
+FC(F)(F)c1cc(ccc1)-n2cc([N+]([O-])=O)nc2	1444
+FC(F)(F)c1cccc(c1)N2CCC(C2=O)C(=O)O	9324
+FC(F)(F)c1cccc(c1)NC(c2cc(sc2C)S(=O)(=O)Cl)=O	1899
+FC(F)(F)c1cc(ccc1)Nc2c3[nH]cnc3nc(n2)Cl	1185
+FC(F)(F)c1cc(ccc1)Nc2nccc3c([N+]([O-])=O)c(C)ccc23	201
+FC(F)(F)c1cc(ccc1)Nc2nccc3c(c(ccc23)C)I	201
+FC(F)(F)c1cc(ccc1)NC(=O)c2ccc(cc2)[N+](=O)[O-]	50
+FC(F)(F)c1cccc(NC(=O)C2CCN(CC2)c3nsnc3OCc4ccncc4)c1	33
+FC(F)(F)c1cc(N2C(=O)NC(c3c(cc(C#N)cc3)S(=O)(=O)C(C)C)C(=C2C)C(N)=O)ccc1	3053
+FC(F)(F)c1cccc(N2C(=O)C(COS(=O)(=O)C)CC2)c1	7
+FC(F)(F)c1cc(ccc1)N2C=3CCCC(=O)C=3C(N(CC(O)=O)C2=O)c4ccc(cc4)C#N	4
+FC(F)(F)c1cc(ccc1)N2C(N(C(C(C#N)=C2C)c3c(N)cc(cc3)C#N)C)=O	0
+FC(F)(F)c1cc(ccc1)N2C(=O)C(CO)CC2	4756
+FC(F)(F)c1cc(N2C(=C(C(NC2=O)c3ccc(cc3[N+](=O)[O-])C#N)C(=O)N)C)ccc1	3053
+FC(F)(F)c1cc(N2C(C(C(=O)NCc3ccc(cc3)S(=O)(=O)C)=CC(C#N)=C2C)=O)ccc1	9325
+FC(F)(F)c1cc(N2CCN(CC2)CCn3c4c(cc3)C(CCC4)=O)ccc1	9326
+FC(F)(F)c1cc(N2CCNCCC2)ccc1	2
+FC(F)(F)c1cccc(c1)N2CCN(CC2)CCN3C(=Nc4ccccc4C3=O)CC	53
+FC(F)(F)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3cccc(C(F)(F)F)c3	124
+FC(F)(F)c1cccc(NC(Nc2ccc(cc2)-c3c4c(nn(C)c4cnc3)N)=O)c1	124
+FC(F)(F)c1cccc(NC(N(C)C(C=2N(c3ccc(cc3)F)C(C=CN=2)=O)C)=O)c1	326
+FC(F)(F)c1cc(NC(=S)NN)ccc1	4757
+FC(F)(F)c1cccc(NC(Cc2nc(N)sc2)=O)c1	2427
+FC(F)(F)c1cccc(c1)NC(Cc2nc(sc2)NC)=O	2427
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(-c3cccc(N)c3)c(cc2)C	0
+FC(F)(F)c1cc(ccc1)NC(=O)c2cc(c(cc2)C)-c3cc(ccc3)Nc4ncccc4Br	201
+FC(F)(F)c1cc(ccc1)NC(c2ccc(cc2)N)=O	0
+FC(F)(F)c1cccc(c1)N2C3=C(C(NC2=O)c4ccc(cc4)Br)C(C(C)(C)CC3)=O	9327
+FC(F)(F)c1cccc(c1)N2C=3CCC(=O)C=3C(NC2=O)c4ccc(Br)cc4S(=O)(=O)C	4758
+FC(F)(F)c1ccc([N+](=O)[O-])c(O)c1	31
+FC(F)(F)c1cccc(c1)Oc2ccc(cc2C#N)C=O	46
+FC(F)(F)c1cccc(Oc2nccc3c(c(C)ccc23)I)c1	136
+FC(F)(F)c1cc(ccc1)Oc2cccc(OCc3ccsc3)n2	136
+FC(F)(F)c1cc(ccc1)Oc2cc(Br)cc(Sc3cc(c(cc3)OCC(=O)OCC)C)c2	1336
+FC(F)(F)c1cc(S(=O)(=O)Oc2cc(C)cc(O)c2)ccc1	16
+FC(F)(F)c1cc(ccc1-c2c(C)c(C(O)=O)c[nH]2)F	1
+FC(F)(F)c1cc(ccc1-c2c(C)c(c[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)C)F	246
+FC(F)(F)c1c(ccc(C2CC2)c1)-c3cc(CCO)on3	365
+FC(F)(F)c1c(-c2cscc2C)ccc(-c3nc(no3)-c4ccccc4OC)c1	910
+FC(F)(F)c1cc(Cl)ccc1-c2cc([N+](=O)[O-])c(N)cc2Cl	134
+FC(F)(F)c1cc(ccc1Br)NC(=O)Nc2ccc(cc2)Oc3ncnc(c3)NC	40
+FC(F)(F)c1cc(ccc1C#N)-n2nnnc2CN3CCNCC3	2
+FC(F)(F)c1cc(ccc1C#N)-n2nnnc2CN3CCN(CC3)S(=O)(=O)CCC	112
+FC(F)(F)c1c(c(F)ccc1C#N)I	184
+FC(F)(F)c1cc(N(CC)C2CC(CCC2)n3c(CCc4cccnc4)cnc3)ccc1C#N	9328
+FC(F)(F)c1cc(ccc1C#N)Oc2ccc(cc2)-c3nc(cc(n3)C(N)=O)C=C	1134
+FC(F)(F)c1cc(Cl)ccc1C(CCCCl)C(N)=O	83
+FC(F)(F)c1c(CN2CCN(CC2)CC)ccc(N)c1	162
+FC(F)(F)c1c(CO)ccc(I)c1	49
+FC(F)(F)c1c(Cn2ncc3cc(ccc23)C=O)ccc(c1)F	823
+FC(F)(F)c1c(CN2CCN(CC2)C)ccc(C(=O)Nc3ccc(c(I)c3)C)c1	67
+FC(F)(F)c1c(Cl)ccc(C=2C=C(OCc3ccccc3)C(=O)N(C(C)C)C=2)c1	9329
+FC(F)(F)c1c(Cl)ccc(S(=O)(=O)Nc2cc(C)cnc2Br)c1	322
+FC(F)(F)c1c(ccc(c1)N2CCOCC2)Nc3ncnc4c3cc(cc4)I	73
+FC(F)(F)c1c(c(cc(Cl)c1)[N+](=O)[O-])NC(C)=O	31
+FC(F)(F)c1c(OCC)ccc(-c2nc(c(c(N)c2)[N+](=O)[O-])C#N)c1	140
+FC(F)(F)c1cc(ccc1OCC2CC2)COc3ccc4c(c5c(C(CC(=O)O)CC5)[nH]4)c3	3
+FC(F)(F)c1c(OCC2CCN(CC2)C)ccc(NC(Nc3ccc(cc3)Oc4cc(Cl)ncn4)=O)c1	124
+FC(F)(F)c1c(OCCC2CCN(CC2)C(=O)OC(C)(C)C)ccc(-c3cc4n(nnc4c(C#N)n3)C)c1	2259
+FC(F)(F)c1cc(B(O)O)ccc1OCCCOC2CCCCO2	579
+FC(F)(F)c1cc(ccc1OCCCNC)-c2nc(C#N)c3ncn(C)c3c2	285
+FC(F)(F)c1cc(-c2nc(C#N)c3ncn(C)c3c2)ccc1OCCOS(=O)(=O)C	7
+FC(F)(F)c1c(ccc(c1)N)OCCOCc2ccccc2	0
+FC(F)(F)c1nccc(C2(c3cccc(O)c3)NC(=N)c4c2cc(Cl)cc4F)c1	5
+FC(F)(F)c1cc(ccn1)N2C3=C(C(c4ccc(cc4C(O)=O)C#N)N(C2=O)C)C(CC3)=O	1
+FC(F)(F)c1cc(ccn1)Oc2ccc(cc2)N	0
+FC(F)(F)c1cc(-c2occc2)cn3c(Cl)c(C(N4C(CN(C)CC4)c5ccccc5)=O)nc13	777
+FC(F)(F)c1cc(cn2c(Cl)c(C(O)=O)nc12)-c3ccco3	6
+FC(F)(F)c1cc(C#N)cnc1N2CCOCC2	1684
+FC(F)(F)c1cc(cs1)CO	9330
+FC(F)(F)c1nn(-c2cc(c(cc2)F)F)c(c1)CNC(Nc3cc(c(N4CC(C4)O)cc3)F)=O	238
+FC(F)(F)c1cc(n(-c2cccc(c2)Cl)n1)CNC(Nc3ccc(C(=O)N)nc3)=O	862
+FC(F)(F)c1nn(C)c(C)c1Cl	1188
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3nc(C#Cc4ccc(cc4)OC)cs3)n1)C	1800
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(C=4CC(ON=4)c5cccc(-n6ncnc6)c5)n3)n1)C	4717
+FC(F)(F)c1c(Cl)c(n(-c2cnc(S(=O)(=O)N)cc2)n1)-c3ccc(cc3)Br	697
+FC(F)(F)c1cc(n(n1)C)Oc2cccc(CNC)n2	695
+FC(F)(F)c1cc(Oc2nc(CN)ccc2)n(n1)C	421
+FC(F)(F)c1nn(CC(O)=O)c(Cl)c1	3
+FC(F)(F)c1cc(nc(-c2ccncc2)n1)Nc3c(ccc(c3)N)C	0
+FC(F)(F)c1cc(Nc2cc(NC(=O)c3ccc(cc3)CCl)ccc2C)nc(-c4ccncc4)n1	50
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(=O)C3(CCC(C3)N)C(C)C	12
+FC(F)(F)c1cc(nc(c1C(O)=O)Cl)Cl	4598
+FC(F)(F)c1cc(NCc2ncccc2)nc(c1Cl)Cl	395
+FC(F)(F)c1cc(nc(c1)C(N)=O)F	4709
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1)c(cn2)C(O)=O	1
+FC(F)(F)c1c2ccc3n(cc(C(=O)OC)n3)c2nc(O)c1	4759
+FC(F)(F)c1ccnc(CNC(=O)c2nnn(CC(CCc3sc(NC(=O)Cc4ccccn4)nn3)F)c2)c1	312
+FC(F)(F)c1ccnc(NC(=O)c2cc(N)c([N+]([O-])=O)cn2)c1	4760
+FC(F)(F)c1cc(ncc1)Nc2nc(Br)cc(c2)[N+]([O-])=O	834
+FC(F)(F)c1cc(ncc1)Nc2nc(-c3scnc3)cc(C)c2	2332
+FC(F)(F)c1ccnc(Nc2cc(cc(Br)n2)N)c1	0
+FC(F)(F)c1c(CO)cnc(Nc2ccc(cc2Cl)Cl)c1	4051
+FC(F)(F)c1c(c2CCC(N3C(C(=O)Nc(c1)c23)=O)P(OCC)(OCC)=O)[N+]([O-])=O	2166
+FC(F)(F)c1c(F)cc2C(CC(C)Nc2c1)=O	2931
+FC(F)(F)c1c(O)cc2c(c1)NCC2	5
+FC(F)(F)c1nn2c(COC)ccc(C(CC)=O)c2c1	716
+FC(F)(F)c1cc2c(cc1)N(C(CN2C(c3ccc(Cl)c(c3)Cl)c4nnn[nH]4)CC)C(=O)OCC	420
+FC(F)(F)c1c(cc2NC(=O)C(=O)N(OCc3ccccc3)c2c1)-n4c(C)ncc4	4761
+FC(F)(F)c1cc2c([nH]1)ncc(c2)CNc3cc(ncn3)C(=O)C	40
+FC(F)(F)c1ccc2nc(cc(OCc3ccc(cc3)OC)c2c1)C(=O)OCC	139
+FC(F)(F)c1cc2c(cc1)CCN(C(c3nn4cc(cnc4c3)Br)=O)C2C	147
+FC(F)(F)c1ccc2c(nc(-c3ccccc3SCC)nc2c1)N	266
+FC(F)(F)c1ccc2c(c1)n(cc2)C(C)(C)C(=O)N3CCN(c4ccc(cc4)S(=O)(=O)Nc5sccn5)C(=O)C3	348
+FC(F)(F)c1cc2c(cc1)nccc2OCCCCCOC3=COC(COS(=O)(=O)C)=CC3=O	2178
+FC(F)(F)c1cc2[nH]cc(C)c2cc1OC	4762
+FC(F)(F)c1cc2c(cc1OC)c(C)c([nH]2)C(O)=O	6
+FC(F)(F)c1nn2c(c(C=O)ccc2I)c1	200
+FC(F)(F)c1cc(Br)c2c(c1)cc(s2)C(=O)O	1
+FC(F)(F)c1cc2c(ccc(OC)n2n1)C(CC)=O	716
+FC(F)(F)c1cc2c(c(N)c1N(C)C)n(CC)c(n2)C	13
+FC(F)(F)c1ccc2oc(nc2c1)-c3ccncc3-c4cccnc4	4763
+FC(F)(F)c1cc2ncc(c(OCCCCCOC3=COC(COS(=O)(=O)C)=CC3=O)c2cc1)C(=O)OCC	2178
+FC(F)(F)c1c(C(OC)=O)n(cc1)-c2ccc(cc2)Cl	4412
+FC(F)(F)c1ccc(-c2c(OC)ccc(CC(O)=O)c2)c(CN(CC)C(NCc3ccc(cc3)Cl)=O)c1	3
+FC(F)(F)c1ccc(cn1)-c2c(cnc(c2)CN3C(=O)c4ccccc4C3=O)Cl	2181
+FC(F)(F)c1ccc(-c2c3NC(N(c4ccc(cc4)O)c3ncn2)=O)c(F)c1	5
+FC(F)(F)c1ccc(-c2cc(ccc2OC)CC(=O)N)c(CN(CC)C(C3CC3)=O)c1	527
+FC(F)(F)c1cc(CN)c(-c2c(OC)ccc(c2)C(C)C)cc1	9331
+CC(C)(C)C(Nc1c(ccc(-c2nc3n(cc(-c4ccccc4F)cc3)c2)c1)C(F)(F)F)=O	89
+FC(F)(F)c1cc(c(cc1)-c2c(N)c(ncn2)Nc3ccc(cc3)OC)F	193
+FC(F)(F)c1ccc(-c2nnc(cc2)NC(=O)c3ccc(cc3)Oc4cc5OCCC(c5cc4Cl)C(O)=O)c(Cl)c1	3
+FC(F)(F)c1ccc(-c2nnc(cc2)NC(=O)c3ccc(cc3)Oc4c(cc5C(C(OCC)=O)CCOc5c4)Cl)c(Cl)c1	519
+FC(F)(F)c1ccc(c(OC)c1)-c2nc(cc3cc(ccc23)S(=O)(=O)N(Cc4ccc(cc4)OC)c5nccs5)Cl	119
+FC(F)(F)c1cc(c(Br)cc1)Cn2nc(nn2)C	4764
+FC(F)(F)c1cc(c(cc1)Br)S	3066
+FC(F)(F)c1ccc(Br)c(S(=O)(=O)NC)c1	71
+FC(F)(F)c1ccc(-c2ccc(c(c2)F)N)cc1F	2111
+FC(F)(F)c1ccc(cn1)C=C	3067
+FC(F)(F)c1nc(c(cc1)C#N)-c2cc(C)ccc2	140
+FC(F)(F)c1ccc(cc1F)C(O)CBr	74
+FC(F)(F)c1cc(c(cc1)C(=O)Nc2ccnc(c2)OC)F	50
+FC(F)(F)c1ccc(cc1OC)C=O	760
+FC(F)(F)c1ccc(c(c1)OCC)C(N(OC)C)=O	280
+FC(F)(F)c1ccc(C(O)=O)c(C2CC2)c1	1
+FC(F)(F)c1ccc(C(=O)O)c(c1)OCC	6
+FC(F)(F)c1cc(F)c(CCC(O)=O)cc1	159
+FC(F)(F)c1ccc(C=CC(=O)O)c(c1)OCC	127
+FC(F)(F)c1nc(Cl)c(C=CC(O)=O)cc1	127
+FC(F)(F)c1cc(OC)c(CC[N+]([O-])=O)cc1	364
+FC(F)(F)c1ccc(CC[N+]([O-])=O)c(C2CC2)n1	3068
+FC(F)(F)c1ccc(C=C[N+](=O)[O-])c(c1)OC	417
+FC(F)(F)c1ccc(C=CC(=O)OC)c(OCC)c1	530
+FC(F)(F)c1nc(c(CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)cc1)C5CC5	14
+FC(F)(F)c1ccc(CCN)c(n1)C2CC2	157
+FC(F)(F)c1oc(CN2c3ccccc3C(O)(c4cc5c(cc4O)OCO5)C2=O)cc1	3746
+FC(F)(F)c1ccc(CN2C(=O)C(O)(c3ccccc23)c4nc5OCOc5cc4O)o1	9332
+FC(F)(F)c1oc(CN2c3ccccc3C(c4c(O)cc5OCOc5n4)C2=O)cc1	4765
+FC(F)(F)c1nc(CO)c(CN2C(=O)N3C=CC(c4ccc(cc4)Cl)=C(c5ccncc5)C3=N2)cc1	59
+FC(F)(F)c1ccc(o1)CN2C(=O)C(c3c(O)ccc(OC)n3)c4c(Br)cccc24	4765
+FC(F)(F)c1ccc(o1)CN2c3cccc(Br)c3C4(c5c(ccc(n5)OC)OC4)C2=O	9333
+FC(F)(F)c1ccc(c(-c2c(cc([nH]2)-c3ccnc(n3)N)C(=O)O)c1)Cl	6
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)C(C)=O)=O	86
+FC(F)(F)c1ccc(Cl)c(C(NC2CCC(CC2)C(C)O)=O)c1	684
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CNc3cncc(c3)C)=O	839
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CO)=O	21
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)C(=O)O)=O	4
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COC)=O	21
+FC(F)(F)c1ccc(Cl)c(C(NC2CCC(CC2)C(Nc3ccccc3)C)=O)c1	231
+FC(F)(F)c1ccc(Cl)c(C(NC2CCC(CC2)C=O)=O)c1	24
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COS(=O)(=O)C)=O	7
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CO)=O	88
+FC(F)(F)c1nnc(Oc2cc(ccc2C=CC(=O)OCC)OCCOC)cc1	1119
+FC(F)(F)c1ccc(Cn2ncc3c(cccc23)[N+](=O)[O-])nc1	9334
+FC(F)(F)c1ccc(nc1)Cn2c3c(cn2)c(N)ccc3	0
+FC(F)(F)c1ccc(F)c(-c2noc(c2C(O)c3cccnc3)-c4cc(Cl)ccc4)c1	9335
+FC(F)(F)c1cc(c(I)c(C)c1)[N+]([O-])=O	31
+FC(F)(F)c1ccc(c(O)c1)NC(Nc2ccccc2)=O	124
+FC(F)(F)c1cc(I)c(N)c(c1)C(=O)OC	235
+FC(F)(F)c1ccc(N2C(CN(Cc3c(-c4[nH]c5ccncc5n4)n[nH]c3)CC2)C)nc1	9336
+FC(F)(F)c1ccc(N2CCC(OS(=O)(=O)C)C2)nc1	7
+FC(F)(F)c1ccc(N2CCCCC2)c(NS(=O)(=O)c3ccc(cc3)C)c1	69
+FC(F)(F)c1ccc(N2CCCCC2)c(N)c1	0
+FC(F)(F)c1ccc(N2CCN(Cc3cn[nH]c3CO)CC2C)nc1	194
+FC(F)(F)c1ccc(N2C(CN(Cc3c[nH]nc3C=O)CC2)C)nc1	178
+FC(F)(F)c1ccc(nc1)N2CCN(Cc3c[nH]nc3-c4ccc5c(C(NC(=O)O5)=O)c4)CCC2	678
+FC(F)(F)c1cc(c(cc1)N2c3ccccc3CC2)N	0
+FC(F)(F)c1ccc2N=C(c3cc(ccc3)-c4c(cc(nc4)C5CC5)C)CC(=O)Nc2c1	690
+FC(F)(F)c1ccc(Nc2ccc(nc2)-c3ccc(cc3)C4CCC(CC4)CC(O)=O)cn1	4
+FC(F)(F)c1cc2nc(oc2cc1)-c3c(I)cncc3	3069
+FC(F)(F)c1cc2c(oc(-c3ccnc(Cl)c3)n2)cc1	3069
+FC(F)(F)c1cc(c(cc1)O)C(=O)C	5
+FC(F)(F)c1ccc(OCCCOc2c(cc(cc2Cl)O)I)nc1	818
+FC(F)(F)c1cc(c(OCc2c(F)cc(F)cc2)cc1)-c3c(cccc3)-c4ccc(cc4C(OC)=O)NC(=O)C	11
+FC(F)(F)c1ccc(c(-c2ccc(N)cc2Cl)c1)OCc3ccccc3	11
+FC(F)(F)c1cc(-c2ccccc2-c3ccc(NC(C)=O)cc3C(=O)OCC)c(OCc4ccccc4)cc1	11
+FC(F)(F)c1cc(c(cc1)Oc2c(OC)ccc(CC(=O)OCC)c2)CNC3C(O)Cc4c3cccc4	42
+FC(F)(F)c1ccc(Oc2cc(Sc3cc(c(cc3)OCC(=O)OCC)C)cc(c2)Br)nc1	1336
+FC(F)(F)c1cc(c(cc1)Oc2cccc(CC(O)=O)c2)CNC	42
+FC(F)(F)c1ccc(nc1)Oc2cc(cc(C)c2)CP(OCC)(OCC)=O	1060
+FC(F)(F)c1ccc(Oc2cc(Sc3ccc(OCC(=O)O)c(C)c3)cc(C#CCN4CCOCC4)c2)nc1	3
+FC(F)(F)c1ccc(c(CO)c1)Oc2cccc(c2)C(C(=O)O)C	41
+FC(F)(F)c1ccc(Oc2cc3ccc(C(O)=O)nc3cc2)cn1	1
+FC(F)(F)c1ccc(Oc2ccc(cc2)C=C)cn1	443
+FC(F)(F)c1ccc(cn1)Oc2ccc(cc2)CCOC(=N)N	4753
+FC(F)(F)c1cc(N)c(S(=O)(=O)Nc2ccc(c3cccnc23)Cl)cc1	0
+FC(F)(F)c1ccc(N)c(O)c1	0
+FC(F)(F)c1cc(-c2c(C(N)=O)cc([nH]2)-c3ccnc(n3)N)c(Cl)cc1	393
+FC(F)(F)c1cc(-c2ccc(cc2Cl)N)c(O)cc1	16
+FC(F)(F)c1cc(c(cc1)-c2cn(C)c3cc(ccc23)S(=O)(=O)Oc4c(F)c(F)c(c(F)c4F)F)-c5n(ncc5)C	550
+FC(F)(F)c1ccc(I)c(c1)C	1252
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2ccc(c(CO)c2)Cl	98
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2cc(C=O)c(Cl)cc2	39
+FC(F)(F)c1ccc(C=C[N+]([O-])=O)c(C2CC2)n1	4766
+FC(F)(F)c1ccc(O)c(C=2CCCCC=2c3cccc(C(=O)OCC)n3)c1	16
+FC(F)(F)c1ccc(c(c1)CO)-c2cc(-c3ccc(C(=O)OC)cc3C)ccc2OC	9337
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)Nc2cc(Cl)c(OCC(OCC)OCC)cc2	33
+FC(F)(F)c1nc(c(cc1)-c2nccc(c2)CNC(=O)C3CC(F)CN3S(=O)(=O)c4ccc(cc4)F)NC	182
+FC(F)(F)c1ccc(O)c(NC(=O)c2ccncc2I)c1	67
+FC(F)(F)c1cc(c(OC)cc1)NC(Nc2ccc(cc2)Oc3ccnc(NCCCO)n3)=O	4767
+FC(F)(F)c1nc(N)c(CO)cc1	295
+FC(F)(F)c1nc(c(CNC(=O)C(c2ccc(c(C)c2)CN)C)cc1)N3CCCC3	107
+FC(F)(F)c1ccc(c(NC(=O)Nc2cccc(c2)I)c1)F	124
+FC(F)(F)c1ccc(c(NC(Nc2ccc(cc2)-c3ccc4c(n[nH]c4n3)N)=O)c1)F	124
+FC(F)(F)c1cc(N)c(S(=O)(=O)Nc2c3c(c(cc2)F)cccn3)cc1	0
+FC(F)(F)c1ccc(c(c1)Br)Sc2ccc(cc2)Cl	826
+FC(F)(F)c1ccc(C=O)c(c1)OCC	760
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCNc4c(cc(cc4)C(F)(F)F)[N+](=O)[O-]	53
+FC(F)(F)c1cc([N+]([O-])=O)c(cc1)Nc2c(cc(OC)c(CC)c2)OC	275
+FC(F)(F)c1ccc(N2CCc3c2cccc3)c([N+](=O)[O-])c1	4434
+FC(F)(F)c1nc(OC)c(cc1)CN2N=C3C(c4ccncc4)=C(c5ccc(cc5)Cl)C=CN3C2=O	4768
+FC(F)(F)c1ccc(O)c2c1cc(C(=O)OCC)n2C	321
+FC(F)(F)c1ccc(cc1)-c2nc(CCOS(=O)(=O)C)oc2Br	7
+FC(F)(F)c1ccc(cc1)-c2c(Br)oc(CCO)n2	59
+FC(F)(F)c1ccc(cc1)-c2ccccc2C(=O)Nc3ccc(cc3)C=CCN	1764
+FC(F)(F)c1ccc(cc1)-c2cc(CN(C)C)ccc2C(=O)O	1
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(=O)NCCC(O)=O	4
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(O)=O	1
+FC(F)(F)c1ccc(cc1)-c2c(ccc(CC(OCC)=O)c2)I	158
+FC(F)(F)c1ccc(cc1)-c2c(cc(cc2)C(CCCCCC)Oc3c(cc(cc3)C(NCCC(O)=O)=O)F)C	3
+FC(F)(F)c1ccc(cc1)-c2ccccc2C(=O)Nc3ccc(cc3)I	50
+FC(F)(F)c1ccc(cc1)-c2c3c(sc2C)cc(OCCNC)cc3	285
+FC(F)(F)c1ccc(cc1)-c2c3c(cc(cc3)C#CCCCOS(=O)(=O)C)sn2	7
+FC(F)(F)c1ccc(cc1)-c2c3c(sc2C)cc(cc3)OCCOS(=O)(=O)C	7
+FC(F)(F)c1ccc(cc1)-c2nc(n(-c3ccc(cc3)[N+]([O-])=O)c2)Cc4ccc(cc4)Br	431
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)C(CCC)C(OCC)=O)Oc3ccc(cc3)F	472
+FC(F)(F)c1ccc(cc1)-c2cc(cc(C3CN(Cc4cc5c(cccc5)cc4)CCC3)c2)C(C(=O)OCC)CC(C)C	131
+FC(F)(F)c1ccc(cc1)-c2cc(COc3ccc(c(c3)C)CCCCn4ccnn4)cnc2	751
+FC(F)(F)c1ccc(cc1)-c2cc(C(C(OCC)=O)CCC)cc(c2)O	16
+FC(F)(F)c1ccc(cc1)-c2cc(C3CCCNC3)cc(C(C(=O)OCC)CC(C)C)c2	1446
+FC(F)(F)c1ccc(cc1)-c2cc(cc(C(CC(C)C)C(O)=O)c2)C3CN(Cc4cc5c(cccc5)cc4)CCC3	3
+FC(F)(F)c1ccc(cc1)-c2cc(cc(Cl)n2)CC(=O)OC	9338
+FC(F)(F)c1ccc(cc1)-c2cc(cc(CNC(CN(S(=O)(=O)c3ccc(cc3)F)C)=O)c2)F	9
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)CN)F	107
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCC)Cc3ccc(OCC(=O)OCC)c(C)c3)c2	507
+FC(F)(F)c1ccc(cc1)-c2cncc(CO)c2	295
+FC(F)(F)c1ccc(cc1)-c2cc(n(C)n2)COc3ccc4ccn(CC(=O)O)c4c3	3
+FC(F)(F)c1ccc(cc1)-c2cc(n(n2)C)CCOc3cc4c(ccn4CC(=O)O)cc3	3
+FC(F)(F)c1ccc(cc1)-c2ncnc(Oc3c4c(ccc3)sc(N)n4)c2	4751
+FC(F)(F)c1ccc(cc1)-c2cc3c(cc2)N(CC3(C)C)S(=O)(=O)c4ccc(cc4)N(C)CC(=O)O	3
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2C)C(O)CCCCCC	74
+FC(F)(F)c1ccc(cc1)-c2ccc(C(=O)CCCCCC)cc2C	1740
+FC(F)(F)c1ccc(cc1)-c2ccc(nn2)COC	629
+FC(F)(F)c1ccc(cc1)-c2nc(c(C=O)cc2)Oc3ccccc3Cl	136
+FC(F)(F)c1ccc(cc1)-c2ccc(CO)nc2	453
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(CCO)cc2	21
+FC(F)(F)c1ccc(cc1)-c2ccc(NS(=O)(=O)C)cc2CO	98
+FC(F)(F)c1ccc(cc1)-c2ccc(N)c(CO)c2	98
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)CO	217
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C=Cc3ccc(OCC(OC)=O)c(c3)C	722
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C(CCCCCC)O	758
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NC(CC(C)C)c3ncc(cc3)C(=O)O	1
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NC(c3ccc(cn3)C(NCc4[nH]nnn4)=O)CC(C)C	56
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NCc3ccc(OC)cc3-c4cnc(C(=O)NCCC(=O)O)cc4	3
+FC(F)(F)c1ccc(cc1)-c2nnc(cc2)CO	88
+FC(F)(F)c1ccc(cc1)-c2ccc(nn2)COc3cc(c(cc3)OC(C)(C)C(O)=O)C	3
+FC(F)(F)c1ccc(cc1)-c2cc3c(cc2)N(CC3(C)C)S(=O)(=O)c4ccc(cc4)N(CC(OCC)=O)C	416
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3c(C)cc(cc3C)C=CC(OCC)=O)ccc2	20
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3ccc(cc3)CC(=O)OC)ccc2	20
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCC)Cc3ccc(OCC(=O)O)c(C)c3)c2	3
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCCCC)Cc3ccc(OCC(=O)O)c(C)c3)c2	3
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)N(Cc3cc(C)c(OCC(=O)OCC)cc3)CCCC	507
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)N(Cc3ccc(OCC(=O)O)c(C)c3)CCCC	3
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCCCC)Cc3cc(C)c(OCC(=O)OCC)cc3)c2	507
+FC(F)(F)c1ccc(cc1)-c2c(C(=O)Nc3ccc(cc3)C=CCN4C(c5c(C4=O)cccc5)=O)cccc2	1046
+FC(F)(F)c1ccc(cc1)-c2ccnc(n2)C=3CCC4(CCN(C4=O)C)N=3	9339
+FC(F)(F)c1ccc(cc1)C2CCNCC2	1413
+FC(F)(F)c1ccc(cc1)-c2ccc(nc2)COc3cc(C)c(cc3)CCCCn4nncc4	412
+FC(F)(F)c1ccc(cc1)-c2cnc(N3CCN(CC3)C(OCC(=O)NC)=O)cc2	271
+FC(F)(F)c1ccc(cc1)-c2c[n+]([O-])ccc2	341
+FC(F)(F)c1ccc(cc1)-c2coc(CCO)n2	44
+FC(F)(F)c1ccc(cc1)-c2nc(oc2)CCOC(=O)C	204
+FC(F)(F)c1ccc(cc1)-c2n(C)c(c(n2)C=O)C	614
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(C)=NNC(c3sc(cc3)C(=O)OC)=O)c2O	2398
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(C)=NNC(=O)c3ccc(C(=O)O)s3)c2O	1
+FC(F)(F)c1ccc(cc1)-c2oc(-c3ccc(cc3)C#N)c(C(O)=O)n2	1
+FC(F)(F)c1ccc(cc1)-c2oc(C(CO)C)c(C(C)C)n2	44
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3c(C)cc(cc3C)C=CC(O)=O)ccc2	108
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3ccc(cc3)CC(O)=O)ccc2	4
+FC(F)(F)c1ccc(cc1)-c2sc(CNc3ccc(cc3)C4CC4C(=O)O)c(C)n2	9340
+FC(F)(F)c1ccc(cc1)-c2nc(c(CCOc3ccc(CCC(OCC)=O)c4ccccc34)cc2)C	20
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(CCO)cc2	88
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(COc3cc4n(CC(=O)O)cc(Cl)c4cc3)s2	32
+FC(F)(F)c1ccc(cc1)-c2ccc(CC(=O)O)c(C)n2	4
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(CCOC)cc2	21
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(s2)COc3cc(F)c(C=4NC(ON=4)=O)cc3	9341
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(s2)COc3cc(F)c(cc3)C(NO)=N	181
+FC(F)(F)c1ccc(cc1)-c2nc(c(s2)CO)CCCOCc3ccccc3	1503
+FC(F)(F)c1ccc(cc1)-c2ccnc(I)n2	2531
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)-c3ccc(cc3)-c4ccc(cc4)C=O)C	11
+FC(F)(F)c1ccc(cc1)-c2sc(C)c(CCOCC)n2	21
+FC(F)(F)c1ccc(cc1)-c2nc(c(C)s2)CCOc3ccc(cc3)C(NN)=O	296
+FC(F)(F)c1ccc(cc1)-c2nc(c(C(=O)O)cc2)Oc3ccccc3Cl	3070
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(s2)COc3ccc(C#N)c(F)c3	2119
+FC(F)(F)c1ccc(cc1)-c2ncc(c(C3CC3)n2)COc4ccc5c(ccn5CC(=O)OCC)c4	2171
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)CCOc3c4c(cccc4)c(C=O)cc3)C	20
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(CC#N)n2	4275
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)COc3cc4ccn(CC(=O)OCC)c4cc3	547
+FC(F)(F)c1ccc(cc1)-c2nc(CCCOS(=O)(=O)C)c(s2)COc3ccc(c(OC)c3)C=4NOC(=O)N=4	710
+FC(F)(F)c1ccc(cc1)-c2cc(cc(N3CCCC3)n2)CNC(=O)C(=C)N(C)S(=O)(=O)c4ccc(cc4)Cl	4712
+FC(F)(F)c1ccc(cc1)-c2cccc(C(O)CCCC)n2	1394
+FC(F)(F)c1ccc(cc1)-c2nc(C(Oc3cc(C)c(cc3)OCC(=O)OCC)CC(C)C)ccc2	9342
+FC(F)(F)c1ccc(cc1)-c2csc(n2)N(CCC(C)C)Cc3ccc(cc3)COc4ccc(cc4)CCC(OC)=O	9343
+FC(F)(F)c1ccc(cc1)-c2nc3C(CN(S(=O)(=O)c4ccc(c(C)c4)OCC(=O)O)c3cc2)C(C)C	3
+FC(F)(F)c1ccc(cc1)-c2sc3c(CCN(C3)S(=O)(=O)c4cc(CC(OC)=O)ccc4C)n2	92
+FC(F)(F)c1ccc(cc1)-c2nc3C(CN(S(=O)(=O)c4cc(c(OCC(=O)OCC)cc4)C)c3cc2)C(C)C	4770
+FC(F)(F)c1ccc(cc1)-c2ncc(C(O)=O)c(C3CC3)n2	6
+FC(F)(F)c1ccc(cc1)-c2ncnc(Oc3c4c(sc(NC(Cc5ccccc5)=O)n4)ccc3)c2	290
+FC(F)(F)c1ccc(cc1)-c2nn(c(CCO)c2)C	21
+FC(F)(F)c1ccc(cc1)-c2nn(c(c2)CO)C	194
+FC(F)(F)c1ccc(cc1)-c2nn(c(COc3cc4c(ccn4CC(=O)O)cc3)c2C)C	3
+FC(F)(F)c1ccc(cc1)-c2nn(c3c2CN(CC3)S(=O)(=O)C)CCCN4CCN(CC4)c5c(cccc5Cl)N	0
+FC(F)(F)c1ccc(cc1)-c2cc(C(=O)O)on2	6
+FC(F)(F)c1ccc(cc1)-c2c3ccc(O)cc3sn2	5
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(c(CC(O)=O)cc3)C)C)c(C(C)C)n2	4
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(CCOc3ccc4c(c3)ccn4CC(O)=O)n2	3
+FC(F)(F)c1ccc(cc1)-c2nc(c(o2)C)CCO	21
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(CCOc3ccc4n(ccc4c3)CC(=O)OCC)n2	267
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)COc3ccc4c(c3)ccn4CC(O)=O	3
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)COc3ccc4n(CC(=O)NS(=O)(=O)C)ccc4c3	344
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)-c3ccc(cc3)-c4ccc(cc4)CNO)C	1059
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)-c3ccc(cc3)-c4ccc(cc4)C=NO)C	135
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)-c3ccc(cc3)-c4ccc(cc4)CN5OC(=O)NC5=O)C	4771
+FC(F)(F)c1ccc(cc1)-c2sc(c(n2)CCO)C	665
+FC(F)(F)c1ccc(cc1)-c2sc(CCCc3cc(C)c(OCC(=O)OCC)cc3)c(C)n2	414
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(C#N)c(c3)F)c(CCCOCc4ccccc4)n2	2119
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(C(NO)=N)c(F)c3)c(CCCOCc4ccccc4)n2	181
+FC(F)(F)c1ccc(cc1)-c2nc(c(s2)COc3ccc(c(OC)c3)C=4NOC(=O)N=4)CCCO	118
+FC(F)(F)c1ccc(cc1)-c2sc(c(C)n2)CCOc3ccc4c(n(cc4CCC)CC(O)=O)c3	32
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(s2)C(CC)Oc3cc(F)c(C#N)cc3F	57
+FC(F)(F)c1ccc(cc1)-c2sc(CCC(c3ccc(c(c3)C)OCC(=O)OCC)O)c(C)n2	74
+FC(F)(F)c1ccc(cc1)-c2nc(c(C)s2)CCOc3ccc(cc3)C(OC)=O	20
+FC(F)(F)c1ccc(cc1)-c2sc3c(CCN(C3)S(=O)(=O)c4cc(ccc4C)CC(=O)O)n2	4
+FC(F)(F)c1ccc(cc1)-c2c3c(cncc3)c(nn2)N4CCNC(C4)C	519
+FC(F)(F)c1ccc(cc1)-c2ccc(C=O)c(Cl)n2	140
+FC(F)(F)c1ccc(cc1)-c2nc(ccc2)C=O	119
+FC(F)(F)c1ccc(cc1)-c2ccc(NS(=O)(=O)C)cc2C(=O)OC	11
+FC(F)(F)c1ccc(cc1)-c2cc(c(CO)s2)C	268
+FC(F)(F)c1ccc(cc1)-c2c(N)ccc(c2)CC(OCC)=O	134
+FC(F)(F)c1ccc(cc1)C2=CN(C(c3c2cc(OC)cc3)=O)c4ccc(C=O)c(c4)OC	2220
+FC(F)(F)c1ccc(cc1)-c2nc(ccc2)C(=O)CCCC	119
+FC(F)(F)c1ccc(cc1)-c2cc(cc(Cl)n2)C	119
+FC(F)(F)c1ccc(cc1)-c2cccc(N)c2	134
+FC(F)(F)c1ccc(cc1)-c2ccc(c(C(OC)=O)c2)N	11
+FC(F)(F)c1ccc(cc1)-c2cc(cnc2)C(=O)OC	89
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)OCc3ccccc3)CC(=O)OCC	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C=O	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)N	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NCc3ccc(OC)cc3-c4cnc(C(=O)NCCC(OCC)=O)cc4	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C(OCC)=O	11
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C=C	11
+FC(F)(F)c1ccc(cc1)C=2c3cc(OC)ccc3C(N(c4ccc(cc4)OC)C=2)=O	2220
+FC(F)(F)c1ccc(cc1)-c2ccc(C=O)nc2	89
+FC(F)(F)c1ccc(cc1)-c2n3cc(Br)ccc3nc2	4772
+FC(F)(F)c1ccc(cc1)C#Cc2ccc(cc2)OC3OCCCC3	455
+FC(F)(F)c1ccc(cc1)-c2ccncc2	498
+FC(F)(F)c1ccc(cc1)C#Cc2n(C)ncc2	2349
+FC(F)(F)c1ccc(cc1)C#CCCCOc2ccc3ccn(CC(O)=O)c3c2	3
+FC(F)(F)c1ccc(cc1)CCc2n(ncc2)C	801
+FC(F)(F)c1ccc(cc1)C(=O)C=O	9344
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(=O)C)c2O	4268
+FC(F)(F)c1ccc(cc1)-c2coc(n2)C(CO)Oc3c(c(c(F)cc3)C(=O)N)F	4773
+FC(F)(F)c1ccc(cc1)C(NCCc2cc(ccc2)F)=O	93
+FC(F)(F)c1ccc(cc1)C(=O)Nc2ccc(cc2)Cc3c4c(n(c3C)CC(OCC)=O)cccc4	50
+FC(F)(F)c1ccc(cc1)C(=O)NCCCOc2c(Cl)cc(cc2Cl)O	16
+FC(F)(F)c1ccc(cc1)C(=O)Nc2ccc(cc2)Cc3c(n(c4ccccc34)CC(=O)O)C	3
+FC(F)(F)c1ccc(cc1)-c2nc(CCCOCc3ccccc3)c(C(OCC)=O)s2	2242
+FC(F)(F)c1ccc(cc1)C(O)C(C(=O)OCC)Cc2ccc(cc2)F	2261
+FC(F)(F)c1ccc(cc1)C2OC(NC2Cc3ccc(cc3)F)=O	3064
+FC(F)(F)c1ccc(cc1)C(C(C(=O)OCC)Cc2ccc(cc2)F)=O	9345
+FC(F)(F)c1ccc(cc1)C(=O)NCCCOc2c(Cl)cc(cc2Cl)OCc3ccccc3	20
+FC(F)(F)c1ccc(cc1)C2=NCCc3cc(ccc23)F	1753
+FC(F)(F)c1ccc(cc1)C(=O)C2C(N(C(C)=O)c3c2cc(cc3)[N+](=O)[O-])=O	3071
+FC(F)(F)c1ccc(cc1)C(C(Cc2ccc(cc2)F)C(O)=O)O	3
+FC(F)(F)c1ccc(cc1)C(O)C(Cc2ccc(cc2)F)NC(c3c4c(cccc4)c(F)cc3)=O	14
+FC(F)(F)c1ccc(cc1)C(c2c(c3C(CC(C)(C)Oc3cc2C(C)C)=O)C4=CCCCC4)=O	335
+FC(F)(F)c1ccc(cc1)C(=O)c2c(C(C)C)cc3c(c2C4=CCCCC4)C(O)CC(C)(C)O3	74
+FC(F)(F)c1ccc(cc1)C23CN(CCCN4C=C(C(=O)NC4=O)c5c(F)nc(C)cc5)CC2C3	61
+FC(F)(F)c1ccc(cc1)C=2c3c(C(N(c4ccc(c(c4)OC)CO)C=2)=O)ccc(OC)c3	41
+FC(F)(F)c1ccc(cc1)C2c3c(cc(cc3)F)CCN2	2262
+FC(F)(F)c1ccc(cc1)-c2c(O)nccc2	4774
+FC(F)(F)c1ccc(cc1)C2CCN(CC2)c3nc4ccc(C(O)=O)cc4nc3-c5ccc(cc5)F	1
+FC(F)(F)c1ccc(cc1)C2CCN(CC2)c3c(-c4ccc(cc4)F)nc5cc(ccc5n3)C(=O)OC	1322
+FC(F)(F)c1ccc(cc1)C2CC(CN(C(Oc3ccc(cc3)[N+]([O-])=O)=O)C2)NC(c4ccccc4)=O	66
+FC(F)(F)c1ccc(cc1)C(O)C(Cc2ccc(cc2)F)N	886
+FC(F)(F)c1ccc(cc1)C2c3ccc(F)cc3CCN2C(=O)Nc4ccc(cc4)F	326
+FC(F)(F)c1ccc(cc1)CCCC2CCN(CC2)C(=O)OC(C)(C)C	374
+FC(F)(F)c1ccc(cc1)CC[N+](=O)[O-]	364
+FC(F)(F)c1ccc(cc1)C=Cc2nc(COc3ccc(cc3)CCCCn4c(ncc4)CC(O)CO)co2	547
+FC(F)(F)c1ccc(cc1)C=Cc2nc(COc3ccc(cc3)CCCn4ccnn4)co2	547
+FC(F)(F)c1ccc(cc1)C(=NO)Cl	761
+FC(F)(F)c1ccc(cc1)C=NO	135
+FC(F)(F)c1ccc(cc1)C=C[N+](=O)[O-]	417
+FC(F)(F)c1ccc(cc1)CNc2[nH]c(Nc3cc(Cl)c(c(Cl)c3)C#N)nn2	4775
+FC(F)(F)c1ccc(cc1)C=C(C#N)c2ccc(cc2)OCCCCCCCCO	9346
+FC(F)(F)c1ccc(cc1)CN2CCC3(CC2)CN(CC3)C(c4ccc(cc4)-c5oc6c(C(C)C)cc(C#N)cc6n5)=O	131
+FC(F)(F)c1ccc(cc1)CON=C(CC)c2ccc(cc2)OCC(OCC)=O	2236
+FC(F)(F)c1ccc(cc1)CN(C2CCCCC2C(N)=O)S(=O)(=O)c3ccc(cc3)Cl	692
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(C)c(OCC(OCC)=O)cc3	2236
+FC(F)(F)c1ccc(cc1)CC(=O)C(OCC)OCC	9347
+FC(F)(F)c1ccc(cc1)CC(C(c2ccccc2)O)C(O)=O	3
+FC(F)(F)c1ccc(cc1)CC2NC(OC2c3ccccc3)=O	3064
+FC(F)(F)c1ccc(cc1)CC(NC(c2c3c(cccc3)c(F)cc2)=O)C(O)c4ccccc4	14
+FC(F)(F)c1ccc(cc1)CCNc2cc(F)c(cc2)OC	4228
+FC(F)(F)c1ccc(cc1)CC(N)C(O)c2ccccc2	886
+FC(F)(F)c1ccc(cc1)CCCO	21
+FC(F)(F)c1ccc(cc1)CCC(NCCc2nc(c(OC)cc2)OC)=O	9
+FC(F)(F)c1ccc(cc1)CCC=2c3c(CCN=2)nc(OC)c(c3)OC	9348
+FC(F)(F)c1ccc(cc1)CCC=O	578
+FC(F)(F)c1ccc(cc1)CCC2CCC(CC2)C3CCC(CC3)CCC=O	9349
+FC(F)(F)c1ccc(cc1)CCC2CCC(CC2)C3CCC(CC3)CCCO	237
+FC(F)(F)c1ccc(cc1)CCC2CCC(CC2)C3CCC(CC3)CCCF	559
+FC(F)(F)c1ccc(cc1)CCC2CN(C=3c4cc(C)sc4Nc5ccccc5N=3)CCN2	3073
+FC(F)(F)c1ccc(cc1)CCC2NCCc3nc(c(OC)cc23)OC	9350
+FC(F)(F)c1ccc(cc1)CCC2OCC(CO2)CCC	3682
+FC(F)(F)c1ccc(cc1)CCC2NCCn3cnc(C)c23	9351
+FC(F)(F)c1ccc(cc1)CCCC2CCNCC2	2
+FC(F)(F)c1ccc(cc1)CCCC2CCN(CC2)c3ccc(cc3)OC4OCCCC4	560
+FC(F)(F)c1ccc(cc1)CCC=O	24
+FC(F)(F)c1ccc2c(C(=NCC2)C)c1	1120
+FC(F)(F)c1ccc(cc1)CCNc2cccc(c2)OC(C)(C)C(=O)O	3
+FC(F)(F)c1ccc(cc1)CCN	157
+FC(F)(F)c1ccc(cc1)CCc2c(C#N)cnn2C	4198
+FC(F)(F)c1ccc(cc1)CCc2n(ncc2-n3nccc3)C	9352
+FC(F)(F)c1ccc(cc1)CCc2c(cnn2C)I	1160
+FC(F)(F)c1ccc(cc1)CCc2c(-n3ncc(I)c3)cnn2C	1160
+FC(F)(F)c1ccc(cc1)CNC(C)=O	9
+FC(F)(F)c1ccc(cc1)CNC(c2cc(C(=O)C)ccc2OC)=O	14
+FC(F)(F)c1ccc(cc1)CNC(=O)c2cc3c(cc(cc3)OC)nc2-c4ccsc4	56
+FC(F)(F)c1ccc(cc1)CNC(c2c(OC)ccc(CC#N)c2)=O	14
+FC(F)(F)c1ccc(cc1)CNC(=O)N2CC(c3cc(ccc3)OC(C)(C)C(OCc4ccccc4)=O)CCC2	1132
+FC(F)(F)c1ccc(cc1)CN(C(=O)COc2ccc(cc2)CCSc3ccccc3C(=O)O)CC	1
+FC(F)(F)c1ccc(cc1)CN2n3cc(-c4ccccc4)cc3C(=C(C2=O)C(=O)NCC(=O)O)O	9353
+FC(F)(F)c1ccc(cc1)CN2C(=O)C(C(=O)OC)=C(O)c3cc(cn23)-c4ccccc4	550
+FC(F)(F)c1ccc(cc1)CN2C(=O)C(CC2)N3CCC(C(F)(F)C3)c4ccc(cc4)O	2150
+FC(F)(F)c1ccc(cc1)CN2CCC3(CC3)CC2(C)C(NC(c4ccc(cc4)C(O)=O)C)=O	1
+FC(F)(F)c1ccc(cc1)CNC(=O)Nc2cccc3NCC(O)Cc23	406
+FC(F)(F)c1ccc(cc1)Cn2cc(-c3sc(C(NCc4ccccc4)=O)c(n3)C)nn2	3236
+FC(F)(F)c1ccc(cc1)CNC(=O)N2CC(c3cc(OC(C)(C)C(=O)O)ccc3)CCC2	210
+FC(F)(F)c1ccc(cc1)CN2CCC(Br)C2=O	1553
+FC(F)(F)c1ccc(cc1)CNCC	15
+FC(F)(F)c1ccc(cc1)CNC(c2cc(CC(N)=O)ccc2OC)=O	527
+FC(F)(F)c1ccc(cc1)CN(C(=O)COc2ccc(cc2)CCSc3c(cccc3)C(OC)=O)CC	10
+FC(F)(F)c1ccc(cc1)CNc2nc(c(N)c(C)n2)N	193
+FC(F)(F)c1ccc(cc1)COc2ccc(cc2C=CCCC(C(OCC)=O)Oc3ccccc3OC)OC	657
+FC(F)(F)c1ccc(cc1)CON=C(CC)c2ccc(cc2)OCC(=O)O	3
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(C)c(OCC(=O)O)cc3	3
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(OCC(NO)=O)cc3)C	1376
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(OCC(NCC(O)=O)=O)cc3)C	3
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCc3nnc(C)o3)C	1037
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCC(=O)NNC(=O)C)C	1038
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCC(=O)O)C	3
+FC(F)(F)c1ccc(cc1)COc2c(cc(cc2)OC)C=CCCC(C(=O)O)Oc3c(cccc3)OC	3
+FC(F)(F)c1ccc(cc1)COc2cc(CC(O)=O)ccc2	3
+FC(F)(F)c1ccc(cc1)Oc2cc(C)c(c(C)c2)C(C)=O	415
+FC(F)(F)c1ccc(cc1)Cn2cc(cn2)Nc3cc(F)c(cc3)S(=O)(=O)Nc4nccs4	9354
+FC(F)(F)c1ccc(cc1)Cn2cc(N)cn2	209
+FC(F)(F)c1ccc(cc1)Sc2nc3c(ncnc3N)[nH]2	4666
+FC(F)(F)c1ccc(cc1)-c2nc(C(=O)OC)c(o2)-c3ccc(cc3)C#N	4776
+FC(F)(F)c1ccc(N)c(c1)I	184
+FC(F)(F)c1ccc(cc1)Nc2nc(cc(-n3c4c(ccc(F)c4)nc3C)n2)Cl	1359
+FC(F)(F)c1ccc(cc1)NC=O	753
+FC(F)(F)c1ccc(cc1)Nc2ncnc3c2nc(Nc4c(cccc4Cl)Cl)[nH]3	1185
+FC(F)(F)c1ccc(cc1)Nc2cc(C)cc(n2)Cl	1759
+FC(F)(F)c1ccc(cc1)Nc2nc(N)nc(c2)-c3cc(Br)ccc3C	73
+FC(F)(F)c1ccc(cc1)Nc2c3c(ncn2)n(-c4ccccc4Cl)cn3	1185
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(CN)c(C)c2)C	107
+FC(F)(F)c1ccc(cc1)N2C(=O)NC3(CCCCC3)C2	9355
+FC(F)(F)c1ccc(cc1)NC(N2CCCC2c3c(Cc4ccc(cc4)Cl)c(C)no3)=O	326
+FC(F)(F)c1ccc(cc1)N2C(C3(CCCCC3)NC2=O)=O	9356
+FC(F)(F)c1ccc(cc1)NC(CO)C(C)C	21
+FC(F)(F)c1ccc(cc1)NC(COCCc2ccccc2)C(C)C	176
+FC(F)(F)c1ccc(cc1)NC2c3c(cc(NC(=O)CCC4CCCC4)c(c3)N)CC2	0
+FC(F)(F)c1ccc(cc1)Nc2c3ncn(C)c3nc(Cl)n2	1545
+FC(F)(F)c1ccc(cc1)Nc2nc(nc3c2ncn3C)NN	1657
+FC(F)(F)c1ccc(cc1)Nc2ncnc(n2)C=Cc3cc4cnn(c4cc3)C5OCCCC5	914
+FC(F)(F)c1ccc(cc1)Nc2nc(CCc3cc4c([nH]nc4)cc3)ncn2	804
+FC(F)(F)c1ccc(cc1)Nc2nc(cc(N)n2)-n3c4c(ccc(F)c4)nc3C	266
+FC(F)(F)c1ccc(cc1)Nc2nc(CCc3ccc4c(cnn4C5OCCCC5)c3)ncn2	9357
+FC(F)(F)c1ccc(cc1)OCCOc2ccc(cc2)C(c3nocc3)CC(=O)N4C(OCC4Cc5ccccc5)=O	8
+FC(F)(F)c1ccc(cc1)OCCOc2ccc(cc2)C(CC(O)=O)c3ccon3	2263
+FC(F)(F)c1ccc(cc1)Oc2cc(C)c(c(C)c2)-c3nc(sc3)N	354
+FC(F)(F)c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)n3cc(c4c3ccc(-c5ccccc5)c4)CCC(=O)OC	367
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2ccsc2C(OC)=O	3074
+FC(F)(F)c1ccc(cc1)S(=O)(=O)n2nc(nc2N)Nc3cc(Cl)c(c(c3)Cl)C#N	9358
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(C2CCC(CC2)OCCCC(=O)C)C	591
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(C2CCC(CC2)OCCCC(N(C)OC)=O)C	9359
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCNCC2	2
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3ncc(-c4ncccc4)cc3	147
+FC(F)(F)c1ccc(cc1)Sc2nc3c(ncnc3n2CCCC)N	4777
+FC(F)(F)c1ccc(cc1F)C(CNC)O	132
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c3c(C(=O)N(C=C3)C(COS(=O)(=O)C)C)ccc2C	7
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c3C=CN(C(C)CNC)C(=O)c3ccc2C	1569
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c(C)ccc3C(=O)N(C=Cc23)C(CO)C	59
+FC(F)(F)c1c(OC)cc(cc1)C=C2NC(=O)CN(C(=O)C)C2=O	9360
+FC(F)(F)c1ccc(cc1OC)C=C2N(C(CN(C(C)=O)C2=O)=O)C(=O)C	9361
+FC(F)(F)c1c(cc(-c2cn3cc(ccc3n2)Br)cc1)N	0
+FC(F)(F)c1c(cc(cc1)-c2cn3c(ccc(Cl)n3)n2)N	0
+FC(F)(F)c1c(cc(C(OCC)=O)cc1)N	0
+FC(F)(F)c1ccc(cn1)-c2cc(ncc2Cl)CN	45
+FC(F)(F)c1ncc(cc1)-c2cc(nc(n2)-n3cnc(c3)I)C	937
+FC(F)(F)c1ncc(-c2nc(nc(C)c2)-c3cc(ccc3)Br)cc1	345
+FC(F)(F)c1ccc(-c2c(cnc(CO)c2)Cl)cn1	398
+FC(F)(F)c1ncc(-n2c(c(Cl)nc2C)-c3c(F)cc(cc3F)OC)cc1	4778
+FC(F)(F)c1ccc(cn1)-n2c(c(Cl)nc2)-c3c(cc(cc3F)OC)F	844
+FC(F)(F)c1ccc(-c2n(C)c3c(n2)c(Cl)ncn3)cn1	9362
+FC(F)(F)c1ncc(cc1)CC(=O)NNc2ncc(c(-c3ccc(cc3)Cl)c2)Br	355
+FC(F)(F)c1ccc(cn1)Nc2ncc(-c3ccc(cc3)C4CCN(CC4)C(=O)C(=O)O)cc2	1581
+FC(F)(F)c1ccc(cn1)Nc2ncc(-c3ccc(cc3)C4CCNCC4)cc2	2
+FC(F)(F)c1ccc(cn1)Nc2ncc(-c3ccc(cc3)C4CCN(CC4)C(C(=O)OCC)=O)cc2	3957
+FC(F)(F)c1ccc(Oc2ccc(cc2)C=O)cn1	551
+FC(F)(F)c1ccc(cn1)Oc2ccc(cc2)CCOc3ncc(c(n3)O)Cc4cnc(nc4)OC	3063
+FC(F)(F)c1ccc(nc1)-c2ccc(cc2)C(CCCC)Oc3ccc(cc3)C(=O)NCCC(O)=O	4
+FC(F)(F)c1cnc(-n2cc(CCC(=O)OCC)c(CCC)n2)cc1	4779
+FC(F)(F)c1ccc(nc1)Oc2cc(cc(C=C3CCC(CC3)N)c2)C	316
+FC(F)(F)c1ccc(nc1)Oc2cc(C=C3CCC(CC3)=O)cc(c2)C	97
+FC(F)(F)c1ccc(nc1)Oc2cc(C=C3CCC4(OCCO4)CC3)cc(c2)C	846
+FC(F)(F)c1ccc(nc1-c2ccc(cc2)OC)NCCCOc3ccc4C(CC(O)=O)CCc4c3	3
+FC(F)(F)c1oc(CN2C(=O)C3(c4nc(ccc4OC3)OC)c5ccccc25)cc1	562
+FC(F)(F)c1ccc(o1)CN2C(=O)C3(COc4ccc(nc34)OC)c5c2cccc5-c6ccoc6	1628
+FC(F)(F)c1ccc2c(N(CCC2)Cc3cccc(Br)c3)c1	507
+FC(F)(F)c1cc2c(cc1)CCNC2C	1218
+FC(F)(F)c1ccc2c(N(CCC2)Cc3cc(-c4ccc(cc4)CO)ccc3)c1	11
+FC(F)(F)c1ccc2nc(C#N)cc(c2c1)OCc3ccc(cc3)OC	331
+FC(F)(F)c1ccc2N(C(=O)N(c2c1)Cc3ccc(c(OC)c3)OC)C4CCC(CC4)O	1939
+FC(F)(F)c1ccc2c(c(cnc2c1)CO)O	351
+FC(F)(F)c1cc2c(cc1)nc(C#N)cc2O	686
+FC(F)(F)c1ccc2c(c(cc(C(=O)N)n2)OCc3ccc(cc3)OC)c1	314
+FC(F)(F)c1cc(-c2c(ncc(c2O)C(=O)NCc3ccc(S(=O)(=O)C)cn3)C)ccc1	56
+FC(F)(F)c1cc(-c2c(c(cnc2C)C(NCc3ccc(cc3)S(=O)(=O)C)=O)O)ccc1	56
+FC(F)(F)c1cccc(c1)-c2c(c(cn3nc(N)nc23)Br)C	9363
+FC(F)(F)c1cccc(c1)-c2cccc3c2OC(CN)C3	18
+FC(F)(F)c1cccc(c1)-c2cc(C)c(C(=O)O)c(OC)n2	1
+FC(F)(F)c1cccc(-c2csc(Cc3ccc(cc3)C(=O)O)n2)c1F	1
+FC(F)(F)c1cc(ccc1)-c2nc(C)c(COC)cc2	382
+FC(F)(F)c1cc(ccc1)-c2nnc3c(C(O)CC(C3)C)c2	652
+FC(F)(F)c1cccc(-c2sc3nccc(C(Nc4sccn4)=O)c3n2)c1	2916
+FC(F)(F)c1cccc(N2C(C)=C(NC2=O)c3n(ncc3)-c4ccc(cc4)C#N)c1	9364
+FC(F)(F)c1cccc(-n2cc(nc2)NC(c3cc(ccc3N)N4CCCCC4)=O)c1	0
+FC(F)(F)c1cccc(c1)-c2nc(c([N+](=O)[O-])c(N)c2)C#N	140
+FC(F)(F)c1cccc(c1)-c2cccc(C(C(=O)OCC)C)n2	140
+FC(F)(F)c1cc(ccc1)Oc2cc(Br)cc(Br)c2	472
+FC(F)(F)c1cccc(-c2c(ncc(c2C)Br)N)c1	796
+FC(F)(F)c1cccc(-c2c(C)ncc(C(=O)O)c2O)c1	89
+FC(F)(F)c1cc(-c2nc3c(cc2)N4CC(CC4)N3)ccc1	140
+FC(F)(F)c1cc(-c2cc(C(=O)C)ccc2OCC(OC)=O)ccc1	11
+FC(F)(F)c1cccc(-c2nc(ccc2OC)C)c1	119
+FC(F)(F)c1cc(-c2c(C)cc3cc(ccc3c2OCOC)OC)ccc1	11
+FC(F)(F)c1cc(-c2ccc(cc2)C3C(C3)NCC(N)=O)ccc1	11
+FC(F)(F)c1cc(ccc1)-c2c3c(CC(COS(=O)(=O)c4ccc(cc4)C)O3)ccc2	11
+FC(F)(F)c1cccc(c1)-c2cc(c3c(n2)c4c([nH]3)cc(OCc5ccccc5)cc4)C(OC)=O	9365
+FC(F)(F)c1cc(-c2nc(c(CN)c(-c3c(cc(Cl)cc3)Cl)n2)N)ccc1	4780
+FC(F)(F)c1cccc(c1)-c2ccnc3n2ncc3	2214
+FC(F)(F)c1cc(ccc1)-c2ncc(C)o2	2996
+FC(F)(F)c1cccc(c1)C(Nc2cc(ccc2)C(=O)NN)=O	296
+FC(F)(F)c1cccc(C(=O)Nc2ccc(c(-c3cnc(c(c3)N4CCOCC4)OCCO)c2)C)c1	168
+FC(F)(F)c1c(N=[N+]=[N-])c(ccc1)C(=O)O	615
+FC(F)(F)c1c(N)c(ccc1)C(=O)Nc2ccccc2Cl	67
+FC(F)(F)c1cc(ccc1)C(=O)CC#N	3075
+FC(F)(F)c1cccc(c1F)-c2nc(sc2)N	2579
+FC(F)(F)c1cccc(C(=O)Nc2cnc(C)c(-c3cccc(c3)N)c2)c1	0
+FC(F)(F)c1cccc(c1)C(Nc2cc([N+]([O-])=O)c(Oc3ccc(cc3)O)cc2)=O	46
+FC(F)(F)c1cccc(C(Nc2ccc(OCC(C)(C)N)c(-c3c(cnn3C)Cl)c2)=O)c1	157
+FC(F)(F)c1cccc(C(Nc2ccc(c(CO)c2)Cl)=O)c1	49
+FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(Cl)c(C=O)c2	39
+FC(F)(F)c1cc(C(C(c2cc(F)ncc2)N(C(=O)C)C3CCCC3)O)ccc1	58
+FC(F)(F)c1cccc2c(n[nH]c12)-c3ccc(cc3)OC	1216
+FC(F)(F)c1cccc(C2N(c3ccc(cc3)Oc4ccc(cc4)Cl)C(C(CCCO)C2)=O)c1	347
+FC(F)(F)c1cc(C2CC(C(N2c3ccc(cc3)Oc4ccc(cc4)Cl)=O)CCCOS(=O)(=O)C)ccc1	7
+FC(F)(F)c1cccc(C2=CC(c3cccc(c3O2)C(Nc4cnccc4)=O)=O)c1	487
+FC(F)(F)c1cc(C=CC(c2c(c(ccc2)C(O)=O)O)=O)ccc1	307
+FC(F)(F)c1cccc(-c2c(O)nc3ccc(cc3c2O)Br)c1	4781
+FC(F)(F)c1cc(ccc1)CC(CN2C(=O)c3ccccc3C2=O)NC(c4sc(C)c(c4)-c5ccnn5C)=O	227
+FC(F)(F)c1cc(ccc1)CC(CN2C(=O)c3ccccc3C2=O)NC(=O)c4sc(c(c4)-c5ccnn5C)Cl	227
+FC(F)(F)c1cccc(CNCC(COc2ccc3C(=O)C(c4ccc(cc4)OC)=COc3c2)O)c1	122
+FC(F)(F)c1cccc(CNC(=O)c2cc(ncc2)-c3c(N)ccc(c3)OC(C)C)c1	0
+FC(F)(F)c1cccc(CNC(c2cc(-c3c(ccc(c3)N(CCC)CCC)N)ncc2)=O)c1	0
+FC(F)(F)c1cc(ccc1)CNCC(COc2ccc3C(=O)C(=COc3c2)c4ccc(cc4)O)O	5
+FC(F)(F)c1cccc(Cc2c(nn3c(N)cc(nc23)Cl)C)c1C	1994
+FC(F)(F)c1cccc(Cc2ccc(cc2)C(=O)O)c1	1
+FC(F)(F)c1cc(Cn2c(c(c3c2ccc(-c4ccc(cc4)OC)c3)-c5cccc(C(C)=O)c5)C(=O)O)ccc1	6
+FC(F)(F)c1cccc(F)c1CN2C(N(CC(N)c3ccccc3)C(=O)C(=C2C)Br)=O	12
+FC(F)(F)c1c(c(F)ccc1)CN2C(=O)N(CC(c3ccccc3)N)C(=O)C(c4c(cccc4)Cl)=C2C	1100
+FC(F)(F)c1cc(N(C(c2sc3nc(ccc3c2N)-c4sccc4)=O)C)ccc1	3455
+FC(F)(F)c1cccc(N2C(c3c(non3)NCCOS(=O)(=O)C)=NOC2=O)c1	7
+FC(F)(F)c1cccc(N2C(C)=CN=C(C(=O)NC)C2=O)c1	9366
+FC(F)(F)c1cccc(N2C(=O)N(C)C(c3ccc(C#N)cc3C(O)=O)C=4C(NCCC2=4)=O)c1	1
+FC(F)(F)c1cccc(N2C(=O)ON=C2c3nonc3NCCO)c1	88
+FC(F)(F)c1cccc(N2C(=NOC2=O)c3nonc3NCCN=[N+]=[N-])c1	133
+FC(F)(F)c1cccc(c1)N2N=C(C(C(=C2)OC)=O)C(C=CN(C)C)=O	3076
+FC(F)(F)c1cccc(N2N=C(C(=O)O)C(C(OC)=C2)=O)c1	4
+FC(F)(F)c1cccc(c1)N2C=C(OC)C(C(=N2)C(N(C)OC)=O)=O	2264
+FC(F)(F)c1cccc(N2N=C(N)C(C(=C2)OC)=O)c1	9367
+FC(F)(F)c1cccc(NC(N2CCCCc3cc(O)ccc23)=O)c1	5
+FC(F)(F)c1cccc(NC(=O)N2CCCCc3cc(Oc4cc(ncn4)N=[N+]=[N-])ccc23)c1	3533
+FC(F)(F)c1cccc(NC(=O)N2CCCCc3cc(ccc23)Oc4ncnc(N)c4)c1	1341
+FC(F)(F)c1cccc(N2C(=O)NC(C=3C(=O)CCCC2=3)c4ccc(cc4)C#N)c1	9368
+FC(F)(F)c1cccc(NC(=O)c2cc(-c3ccc(cc3)Nc4ncncc4I)c(C)cc2)c1	73
+FC(F)(F)c1cccc(NC(=O)c2ccc(C)c(-c3ccc(cc3)N)c2)c1	0
+FC(F)(F)c1cccc(NC(=O)N2CCCCc3cc(Oc4cc(Cl)ncn4)ccc23)c1	185
+FC(F)(F)c1cccc(NC(=O)c2ccc(C)c(-c3ccc(cc3)[N+](=O)[O-])c2)c1	1762
+FC(F)(F)c1cccc(N2C=C(C(=O)C(C(=O)OC)=N2)OC)c1	1181
+FC(F)(F)c1cccc(Nc2cc(nnc2C(=O)N)Cl)n1	314
+FC(F)(F)c1cccc(Nc2cc(NCCN)nnc2C(=O)N)n1	232
+FC(F)(F)c1cccc(OCC(CNc2c([N+]([O-])=O)cc(c(C)c2)[N+]([O-])=O)=NOC)c1	60
+FC(F)(F)c1cc(OCC(Cn2nnc3c2cc(C)c([N+]([O-])=O)c3)=NOC)ccc1	2183
+FC(F)(F)c1cccc(c1)OCC(F)CCC2C(CC3OC(CC23)=O)O	682
+FC(F)(F)c1cccc(OCC(=NOC)CN)c1	18
+FC(F)(F)c1cccc(OCC(=NOC)CNc2c(cc(c(C)c2)[N+]([O-])=O)N)c1	0
+FC(F)(F)c1cccc(Oc2cc(-c3c(N)ccc(N4CCCCC4)c3)ncn2)c1	0
+FC(F)(F)c1cc(ccc1)S(=O)(=O)Oc2cc(cc(c2)C)OCc3ccccc3	681
+FC(F)(F)c1cccc(S(=O)(=O)N2CCC(CC2)ON)c1	670
+FC(F)(F)c1cccc(-c2c3nc(NC(C)=O)nn3cc(Br)c2C)c1	784
+FC(F)(F)c1cccc(c1)-c2ccc(C(NC(C(NCCNc3ccc(cc3)OC(F)F)=O)CC4CCCCC4)=O)o2	9369
+FC(F)(F)c1cccc(c1)-c2c3OC(Cc3ccc2)CNC(OCc4ccccc4)=O	101
+FC(F)(F)c1cc(-c2cnnc(NN)n2)ccc1	9370
+FC(F)(F)c1cccc(-c2nc(c(N)c(c2)N)C#N)c1	13
+FC(F)(F)c1cccc(c1)-c2sc3c(n2)c(ccn3)CO	59
+FC(F)(F)c1cccc(c1)-c2nc3c(ccnc3s2)C=O	200
+FC(F)(F)c1cccc(C(=O)C=CN(C)C)c1	277
+FC(F)(F)c1cccc(C(Nc2cc(c(C)nc2)-c3cccc(c3)[N+]([O-])=O)=O)c1	796
+FC(F)(F)c1cc(C2(SCCCS2)C(O)c3cc(c(cc3)OC(F)F)C)ccc1	3077
+FC(F)(F)c1cccc(CC(=O)Nc2ccc(Br)cc2C(=O)OC)c1	26
+FC(F)(F)c1cc(ccc1)CC(C(OCC)=O)C(c2ccc(cc2)F)=O	9371
+FC(F)(F)c1cccc(c1)CNc2cc(ncn2)-c3c(ccc(c3)N4CCCCC4)N	0
+FC(F)(F)c1cc(ccc1)N2C(C)=C(C=C(C2=O)C(NCc3ccc(cc3)S(=O)(=O)C)=O)I	9372
+FC(F)(F)c1cccc(c1)N2C=3CCC(C)(C)C(C=3C(c4ccc(cc4)C#N)NC2=O)=O	160
+FC(F)(F)c1cccc(c1)N2C=3CCC(=O)C=3C(c4ccc(cc4S(=O)(=O)C)C#N)NC2=O	160
+FC(F)(F)c1cccc(N2C=C(C(=O)C(=N2)C(=O)C)OC)c1	1183
+FC(F)(F)c1cc(N2C=C(OC)C(=O)C(=N2)c3n(ncc3)-c4ccccc4)ccc1	4525
+FC(F)(F)c1cccc(c1)Nc2nc(ccn2)C3=CC(=C=[N-])[N+](C=C3)=O	9373
+FC(F)(F)c1cccc(c1)Nc2nccc(-c3ccnc(C#N)c3)n2	4685
+FC(F)(F)c1cccc(c1)OCC(CCC2C(OC3OCCCC3)CC4OC(CC24)O)F	2697
+FC(F)(F)c1cccc(OCC(CCC2C(OC(c3ccccc3)=O)CC4C2CC(O4)=O)F)c1	2124
+FC(F)(F)c1cccc(c1)OCC(CCC2C(CC3OC(CC23)=O)OC4OCCCC4)F	1646
+FC(F)(F)c1cccc(c1)Oc2cc(ccc2CO)Cl	98
+FC(F)(F)c1cccc(Oc2ccc(CO)cc2C#N)c1	41
+FC(F)(F)c1cccc(c1C(n2c3cccc(F)c3c(N4CC(C(CC4)C(O)=O)O)n2)=O)Cl	3
+FC(F)(F)c1cccc(Cc2c(N3C(=O)c4c(C3=O)cccc4)nn5C(=O)CC(=O)Nc25)c1C	1765
+FC(F)(F)c1c(-c2[nH]c3cc(C(=O)OC)ccc3n2)c(Cl)ccc1	622
+FC(F)(F)c1c(c(-c2nc(sc2)NC(=O)c3ccc(cc3)Nc4ccccn4)ccc1)F	548
+FC(F)(F)c1c(c(-c2nc(sc2)NC(=O)c3ccc(cc3)Nc4cnccn4)ccc1)F	548
+FC(F)(F)c1cccc(C(CCl)=O)c1F	9374
+FC(F)(F)c1cccc(-c2csc(n2)Cc3ccc(cc3)C(OC)=O)c1F	963
+FC(F)(F)c1cccc2C(N(Cc12)C(C(Nc3ncc(nc3)Br)=O)CC4CCCC4)=O	1018
+CC(C)(C)OC(NC(CC)C(=O)Nc1c(C(=O)CC(=O)Nc2sccn2)cccc1C(F)(F)F)=O	9375
+FC(F)(F)c1cccc2C(N(Cc12)C(C(Nc3ncc(C(CO)O)nc3)=O)CC4CCCC4)=O	265
+FC(F)(F)c1c2CCNc2ccc1	931
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(S(=O)(=O)CCCC#N)c4)ccc3Cl)nc(C)nc12	300
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(c4)S(=O)(=O)CCCC(N)=O)ccc3Cl)nc(C)nc12	527
+FC(F)(F)c1cccc2c(-c3cc(Oc4cc(ccc4)S(=O)(=O)CCCOS(=O)(=O)C)ccc3Cl)nc(C)nc12	7
+FC(F)(F)c1c2nn(c(-c3ccc(cc3)OC)c2ccc1)Cc4ccccc4	4783
+FC(F)(F)c1cccc2C(N(C(CC(C)C)C(Nc3nccnc3)=O)Cc12)=O	1018
+FC(F)(F)c1cccc2c1CN(C(C(=O)Nc3ncc(C(CO)O)nc3)CCSC)C2=O	265
+FC(F)(F)c1cccc2c1CN(C(CC(C)C)C(=O)O)C2=O	4
+FC(F)(F)c1cccc2C(=O)N(C(C(=O)O)CC3CCCC3)Cc12	4
+FC(F)(F)c1cccc2c1CN(C(CCSC)C(O)=O)C2=O	4
+FC(F)(F)c1cccc2c(c(c(nc12)C(CC)N)C(Nc3nccs3)=O)O	12
+FC(F)(F)c1cccc2c1nccc2OCCCCCOC3=COC(COS(=O)(=O)C)=CC3=O	2178
+FC(F)(F)c1c(-c2c(C)c(C(O)=O)[nH]c2C)cccc1	6
+FC(F)(F)c1ccccc1-c2nc3c(cccc3C)cc2CNc4ncnc5nc[nH]c45	516
+FC(F)(F)c1c(cccc1)-c2cc(c(N)c(Cl)c2)[N+]([O-])=O	196
+FC(F)(F)c1c(-c2c(C=O)cc3c(c(C)ccc3)n2)cccc1	691
+FC(F)(F)c1ccccc1-c2ccc(c([N+]([O-])=O)c2)N	11
+FC(F)(F)c1ccccc1-c2c(O)cc(cc2)C(OC)=O	11
+FC(F)(F)c1ccccc1-c2ccc(cc2)CN3CC(OCC3)C(C)C	11
+FC(F)(F)c1c(cccc1)C(N2CCNCC2)=O	2
+FC(F)(F)c1c(C(=O)N2CCN(CC2)C(=O)CNC(c3cnc(-c4ccccc4)cc3)=O)cccc1	4784
+FC(F)(F)c1ccccc1C(Nc2cc(c3c([nH]cn3)c2)C(=O)Nc4c(c(Cl)ccc4)C)=O	246
+FC(F)(F)c1ccccc1C(Nc2cc3c(c(c2)C(O)=O)[nH]cn3)=O	1
+FC(F)(F)c1c(C(N2CCN(CC2)Cc3ccccc3)=O)cccc1	30
+FC(F)(F)c1ccccc1C2=CCN(CC2)Cc3ccccc3	252
+FC(F)(F)c1c(C2CCN(CC2)Cc3ccccc3)cccc1	191
+FC(F)(F)c1ccccc1C2CCN(CC2)C(=O)c3c4CN(C(=O)C)Cc4[nH]n3	58
+FC(F)(F)c1ccccc1C2CCN(CC2)C(=O)c3c4c([nH]n3)CNC4	2
+FC(F)(F)c1ccccc1CCC(C)=O	1847
+FC(F)(F)c1c(CC(N)CN2C(c3c(cccc3)C2=O)=O)cccc1	9376
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(=O)c4cc(n(C)c4Cl)-c5c(cnn5C)Cl	697
+FC(F)(F)c1ccccc1CC(NC(=O)c2cc(cs2)-c3n(nc(Cl)c3CC)C)CN	45
+FC(F)(F)c1c(CCC(C)(C#N)N)cccc1	661
+FC(F)(F)c1c(cccc1)CCC2CN(Cc3ccccc3)CCN2	25
+FC(F)(F)c1c(CCC2CN(CCN2)C=3c4cc(C)sc4Nc5ccccc5N=3)cccc1	3073
+FC(F)(F)c1ccccc1CCN2CCC(CC2)(CN)c3ccccc3	51
+FC(F)(F)c1ccccc1COC2CN(C2)c3sc(C(=O)O)cn3	6
+FC(F)(F)c1ccccc1COC2CN(C2)c3sc(cn3)C(=O)N	1169
+FC(F)(F)c1ccccc1C#Cc2ccc(cc2)N3C(=O)NC(=N3)c4c(cccc4F)Cl	9377
+FC(F)(F)c1ccccc1CCC2N(Cc3ccccc3)CCN(Cc4ccccc4)C2	9378
+FC(F)(F)c1ccccc1OC2CCN(c3ccc(nn3)C(=O)NN)C2	1726
+FC(F)(F)c1ccccc1OC2CN(c3ccc(nn3)C(OC)=O)CC2	212
+FC(F)(F)c1ccccc1S(=O)(=O)N	336
+FC(F)(F)c1c(S(=O)(=O)Nc2c(nccn2)Cl)cccc1	9379
+FC(F)(F)c1c2n(ccc1)c(-c3cccc(O)c3)c(C)n2	9380
+FC(F)(F)c1c(-c2cc3c(cc2)c(nc(C)n3)O)nccc1	1677
+FC(F)(F)c1cccnc1-c2cc([N+]([O-])=O)c(C#N)cc2	180
+FC(F)(F)c1cccnc1-c2ccc(C#N)c(c2)N	0
+FC(F)(F)c1cccnc1-c2ccc(c(N)c2)C(N)=O	2265
+FC(F)(F)c1cccnc1-c2cc(NC(C)=O)c(cc2)C(=O)N	26
+FC(F)(F)c1c(N2CCc3c(O)ncnc3CC2)nccc1	361
+FC(F)(F)c1cccnc1N2CCN(CC2)c3cc(nc(COC)n3)Nc4ccc(F)c(c4)F	73
+FC(F)(F)c1cccnc1N2CCN(CC2)c3cc(-c4cc(Cl)c(F)cc4)nc(n3)Cl	54
+FC(F)(F)c1cccnc1N2CCN(CC2)c3cc(Cl)nc(COC)n3	54
+FC(F)(F)c1ccn(n1)-c2nc3c(c(c2)O)ccc(c3Cl)OC	686
+FC(F)(F)c1nn(-c2nc(Cl)c(cc2)C)cc1	174
+FC(F)(F)c1nn(cc1)-c2ccc(C)c[n+]2[O-]	341
+FC(F)(F)c1ccn2cc(CC3CCCCN3C(c4nc(C)sc4-c5ccc(cc5)F)=O)nc2c1	837
+FC(F)(F)c1ccnc(NC(=O)c2cc(N)c(N)cn2)c1	13
+FC(F)(F)c1ccnc(NC(Nc2ccc(cc2)-c3c4n(ncnc4N)cc3C=C)=O)c1	9381
+FC(F)(F)c1ccnc(NC(Nc2ccc(cc2)-c3c(CC)cn4c3c(ncn4)N)=O)c1	1661
+FC(F)(F)c1ccnc(Nc2cc(cc(C)c2)-c3sc(nc3)C4(CCC5(OCCO5)CC4)C(N)=O)n1	527
+FC(F)(F)c1ccnc(Nc2cc(-c3cnc(cc3)CCC(=O)OCC)cc(C)c2)n1	1253
+FC(F)(F)c1ccnc(Nc2cc(cc(C)c2)-c3sc(nc3)C4(CCC(CC4)=O)C(N)=O)n1	97
+FC(F)(F)c1nc(Oc2ccccc2)ncc1	893
+FC(F)(F)c1ccnc(n1)Nc2cc(cc(-c3scnc3)c2)C4CC4	365
+FC(F)(F)c1ccncc1C(OS(=O)(=O)C)C(C)C	7
+FC(F)(F)c1ccnnc1N	1969
+FC(F)(F)c1ccnn2cc(Cc3ccccc3)nc12	1823
+FC(F)(F)c1cn(CC2CCNCC2)c3c1c(ncn3)Cl	2
+FC(F)(F)c1cn(CC2CCN(CC2)S(=O)(=O)C)c3c1c(ncn3)Cl	112
+FC(F)(F)c1cn(nn1)-c2ccc(C)cc2-c3cc(O)ncn3	104
+FC(F)(F)c1nc2CN(C(c3c(ccc(Cc4c5c(c(O)nn4)cccc5)c3)F)=O)CCn2c1	30
+FC(F)(F)c1cn2c(c(-c3ccc(cc3)S(=O)(=O)C)c(-c4cc(F)ccc4)n2)cc1	4785
+FC(F)(F)c1cn2c(c(C(O)=O)c(n2)-c3cc(F)ccc3)cc1	1
+FC(F)(F)c1cnc(-c2c(c(O)c(cc2F)Cl)N)c(Cl)c1	0
+FC(F)(F)c1ccc(nc1)-c2ccc(cc2)C(CCCC)Oc3ccc(cc3)C(NCCC(=O)OC)=O	20
+FC(F)(F)c1cc(Cl)c(nc1)-c2cc([N+](=O)[O-])c(cc2)F	31
+FC(F)(F)c1cnc(-n2nc(CCC)c(c2)CCCO)cc1	44
+FC(F)(F)c1cnc(cc1)-n2nc(C(C)C)c(CCCO)c2	44
+FC(F)(F)c1cnc(-n2cc(CCCOc3c(cccc3CC(O)=O)C#N)c(CCC)n2)cc1	4
+FC(F)(F)c1ccc(nc1)-n2nc(CCC)c(C=O)c2	576
+FC(F)(F)c1cnc(-n2cc(CO)c(CCC)n2)cc1	536
+FC(F)(F)c1cnc(-n2cc(CCCOc3c(cccc3C#N)CC(OC)=O)c(CCC)n2)cc1	20
+FC(F)(F)c1cnc(-n2nc(c(c2)CCCOc3n(ncc3CC)CC(O)=O)C(C)C)cc1	3
+FC(F)(F)c1c(nc(nc1)Nc2cnc(OC)cc2)CCc3ccccc3C4(CC4)C(N)=O	801
+FC(F)(F)c1cnc(cc1)Nc2nccc(c2)C(=O)Nc3cc(cnc3)Br	487
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(C=C(C)C(O)=O)ccc(c2)OC(C)C	108
+FC(F)(F)c1cnc(Oc2cc(OCC(N(CC)CC)=O)ccc2CCC(=O)O)c(Cl)c1	3
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(ccc(OCCOC)c2)CCCO	44
+FC(F)(F)c1cnc(c(Cl)c1)Oc2cc(OCCOC)ccc2CCC(=O)O	3
+FC(F)(F)c1cc2c(nc1)sc(-c3c(cncc3)F)n2	9382
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(ccc(OC(C)C)c2)C=C(C)C(NS(=O)(=O)NC3CCC(CC3)C)=O	9383
+FC(F)(F)c1cnc(Oc2c(ccc(c2)O)CCC(=O)OCC)c(Cl)c1	241
+FC(F)(F)c1cnc(Oc2c(ccc(OCCOC)c2)CCCOC(=O)NS(=O)(=O)NCCc3ccccn3)c(Cl)c1	2438
+FC(F)(F)c1cnc(Oc2c(ccc(OCCOC)c2)CCCOC(=O)NS(=O)(=O)c3ccc(cc3)Cl)c(Cl)c1	9384
+FC(F)(F)c1cc(c(nc1)Oc2c(CCC(=O)NS(=O)(=O)CCCOC)ccc(OCCOC)c2)Cl	344
+FC(F)(F)c1cnc(c(Cl)c1)Oc2ccc(cc2)N	0
+FC(F)(F)c1cc(N)c(C#N)nc1	577
+FC(F)(F)c1cc(c(C(=O)N)nc1)N	13
+FC(F)(F)c1cc(F)c(N2CCNCC2)nc1	2
+FC(F)(F)c1cc(c(O)nc1)N	13
+FC(F)(F)c1cnc(cc1)-n2cc(c(C(C)C)n2)C=O	576
+FC(F)(F)c1cnc(cc1)-n2cc(c(C(C)C)n2)CO	536
+FC(F)(F)c1cnc(-n2cc(CCC(OCC)=O)c(n2)C(C)C)cc1	4779
+FC(F)(F)c1ccc(Cn2nc(I)c3c2cccc3[N+](=O)[O-])nc1	4631
+FC(F)(F)c1ccc(C#N)nc1	577
+FC(F)(F)c1cnc(cc1)NC	70
+FC(F)(F)c1c[n+]([O-])c(Cl)cc1	341
+FC(F)(F)c1ccc(Oc2cc(cc(C)c2)CO)nc1	136
+FC(F)(F)c1ccc(nc1)NCC2C(CCCN2C(c3c(-n4nccn4)ccc(F)c3C)=O)C	9385
+FC(F)(F)c1ccc(N)[n+]([O-])c1	341
+FC(F)(F)c1cnc(cc1)OCCCON2C(c3c(C2=O)cccc3)=O	1395
+FC(F)(F)c1ccc(OCCCOc2c(I)cc(OC(=O)c3ccccc3)cc2Cl)nc1	126
+FC(F)(F)c1cnc(cc1)OCCCON	670
+FC(F)(F)c1cnc(nc1)NCC2C(CCCN2C(c3cc(F)ccc3-n4nccn4)=O)C	96
+FC(F)(F)c1cnc(nc1)NCC2N(CCCC2C)C(c3c(-n4nccn4)c(ccc3)F)=O	96
+FC(F)(F)c1cnc(nc1CCc2ccc(F)cc2CC(=O)N)Nc3ccc(cc3)C4CCN(CC4)C(=O)OC(C)(C)C	801
+FC(F)(F)c1cnc(nc1CCc2ccc(F)cc2CC(=O)N)Nc3ccc(cc3)C4CCNCC4	2
+FC(F)(F)c1cnc(SC)nc1C#Cc2ccccc2CC(OC)=O	4786
+FC(F)(F)C(N=S(C1CC1)(c2ccc(cc2)Nc3ncc(C(F)(F)F)c(OC(C(C)O)C)n3)=O)=O	118
+FC(F)(F)c1c(Cl)c2c([nH]cc2N)nc1	13
+FC(F)(F)c1csc(-c2c(-c3cc(cnc3)C(NN)=O)cnc(NC(=O)NCC)c2)n1	1872
+FC(F)(F)c1csc(-c2c(-c3cc4c(N(CCN(C)C)C=C(C(O)=O)C4=O)nc3)cnc(c2)NC(=O)NCC)n1	108
+FC(F)(F)c1csc(-c2cc(NC(=O)NCC)ncc2-c3ccc4c(c3)N(CC)C=C(C4=O)C(=O)O)n1	108
+FC(F)(F)c1c(C(=O)O)c2ccc(OC)cc2n1C	6
+FC(F)(F)c1n(nc(-c2c(cc(c(c2)N(C)CCC)N)F)c1Cl)C	0
+FC(F)(F)c1c(c(-c2cc(F)c([N+]([O-])=O)cc2F)nn1C)Cl	1188
+FC(F)(F)c1n(C)nc(c1)-c2c(cc(c(F)c2)[N+](=O)[O-])F	31
+FC(F)(F)c1n(nc(c1Cl)-c2c(cc(O)c(c2)[N+](=O)[O-])F)C	5
+FC(F)(F)c1n(nc(c1Cl)-c2c(cc3OCC(=O)Nc3c2)F)C	1290
+FC(F)(F)c1n(nc(-c2cc(OC)c(cc2F)N)c1Cl)C	0
+FC(F)(F)c1c(cnn1-c2nc(-c3ccccc3OCc4ccc(cc4)OCCOC)ccc2)C(=O)O	6
+FC(F)(F)c1n2CCC(Cc2nn1)c3n4ccnc(c4c(Br)n3)N	522
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1)c(C(N4CCN(CC4)C(c5ccccc5)CC)=O)cn2	2778
+FC(F)(F)C1=CC(=S)Nc2c(C(=O)OC)cnn12	9386
+FC(F)(F)c1nnc2CC(CCn12)c3n4ccnc(Cl)c4cn3	856
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)O)CC2	9387
+FC(F)(F)c1nnc2n1nc(N3CCNCC3)cc2	2
+FC(F)(F)c1cc(nc2n1ncc2-c3nc(no3)-c4ccnc(c4)N)-c5cc(c(C(F)(F)F)cc5)C	9388
+FC(F)(F)c1nn(CC(Nc2c(c3c(CCCC3)s2)C(=O)N)=O)cc1C=O	1460
+FC(F)(F)c1nn(cc1C=O)Cc2nc3sc(C)cc3c(O)n2	3568
+FC(F)(F)c1nn(CC(=O)Nc2sc3CCCCc3c2C(NCCO)=O)cc1C=O	1460
+FC(F)(F)c1nn(CC(=O)Nc2c(c3c(CCCC3)s2)C(=O)N)cc1CCO	1460
+FC(F)(F)c1nc(-c2cccc(-c3cc(c(c(c3)[N+]([O-])=O)O)O)c2)ccc1	5
+FC(F)(F)c1nc(no1)-c2cc(C(NCC3(CCOCC3)c4cc(-c5ccccc5)cs4)=O)ccc2	14
+FC(F)(F)c1nc(no1)-c2cccc(C(=O)N(C)CC3(CCOCC3)c4scc(-c5ccccc5)n4)c2	30
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(C)c3ccc(CN)c(Cl)c3	12
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(C)c3ccc(c(Cl)c3)CNS(=O)(=O)C	111
+FC(F)(F)c1nc(-c2ccc(c(Cl)c2)C)n(-c3ccc(cc3)S(=O)(=O)N)c1	9389
+FC(F)(F)c1nc(-c2ccc(cc2)CC(O)=O)no1	4
+FC(F)(F)c1nc(cs1)C(CNC(C)Cc2ccc(cc2)OCC(=O)OC)O	9390
+FC(F)(F)c1n2CCN(C(c3cc(Cc4c5c(c(O)nn4)cccc5)ccc3F)=O)Cc2c(C(=O)N6CCCC6)n1	30
+FC(F)(F)c1nc(ccc1)C2(CCNCC2)O	2
+FC(F)(F)c1ccc(c(Cl)n1)C=CC(NCc2cc(F)c(cc2)NS(=O)(=O)C)=O	711
+FC(F)(F)c1ccc(c(Cl)n1)C=CC(=O)NCc2cc(c(NS(=O)(=O)C)c(c2)C#C)F	711
+FC(F)(F)c1nc2c(cccc2)c(NN)n1	1021
+FC(F)(F)c1nc(Nc2ncnc(-c3ccc(cc3OC)F)c2)cc(c1)CSC	346
+FC(F)(F)c1c(sc(n1)Cl)C(=O)O	6
+FC(F)(F)c1ccc(c(F)n1)-c2nccc(CNC(=O)C3CC(F)CN3S(=O)(=O)c4ccc(cc4)F)c2	4787
+FC(F)(F)c1c(Br)nc(c(N)n1)-c2oc(nn2)Cc3ccccc3	9391
+FC(F)(F)c1ccc(C=O)c(N)n1	200
+FC(F)(F)c1nc(N2CC3C(C(CC3)OS(=O)(=O)c4ccc(cc4)Br)C2)ccc1	1226
+FC(F)(F)c1cccc(N2CCN(CC2)CCCCN3C(=O)CCC3)n1	28
+FC(F)(F)c1nc(NC(Nc2c3c(ncc2)ccc(C=4CCNCC=4)c3)=O)ccc1	366
+FC(F)(F)c1nc(O)c(CN2N=C3N(C=CC(c4ccc(cc4)Cl)=C3c5ccncc5)C2=O)cc1	104
+FC(F)(F)c1c(N)ccc(OCc2c(nnn2-c3c(cccc3Cl)Cl)C(C)C)n1	13
+FC(F)(F)c1nc(Oc2ccc(cc2)S(=O)(=O)Cl)ncc1	243
+FC(F)(F)c1nc(c(CCNC(=O)c2ccc(cc2)Oc3cc4c(cc3Cl)C(C(=O)O)CCO4)cc1)C5CC5	3
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(c3ccc(c(c3)F)CNS(=O)(=O)C)C	9
+FC(F)(F)c1nc(c(CNC(=O)C(C)c2cc(c(CNS(=O)(=O)C)cc2)C)cc1)N3CCCC3	111
+FC(F)(F)c1nc(c(CNC(=O)C(c2cnc(cc2)C(=O)N)C)cc1)N3CCC(CC3)C	862
+FC(F)(F)c1nc(c(CN)cc1)-c2cccc(C)c2	388
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2cc(C(OC)=O)c(cc2)Cl	246
+FC(F)(F)c1nc(c(cc1)CNC(Nc2cc3CCCc3nc2)=O)N4CCC(CC4)C	238
+FC(F)(F)c1nc(Cl)cc(CSC)c1	639
+FC(F)(F)c1nc(-c2cc(-c3cc(c(O)c([N+](=O)[O-])c3)OC)ccc2)ccc1	31
+FC(F)(F)c1nc(ccc1)-c2cccc(-c3ccc(O)c(OC)c3)c2	16
+FC(F)(F)c1nc(N2CC3CCC(O)C3C2)ccc1	323
+FC(F)(F)c1nc(C2(CCN(CC2)C(Nc3nc4c(ncnc4OC)s3)=O)O)ccc1	437
+FC(F)(F)c1cc(nc(-c2ccncc2)n1)Nc3c(C)ccc([N+](=O)[O-])c3	73
+FC(F)(F)c1nc(Nc2cc(cc(c2)-c3sc(nc3)C4(CCC4)O)-c5[nH]nnn5)ncc1	1174
+FC(F)(F)c1c(C(=O)O)cnc(n1)N	6
+FC(F)(F)c1c(cnc(n1)Nc2cccc(Cl)c2)C(=O)O	426
+FC(F)(F)c1nc(sc1)C(N)C	102
+FC(F)(F)c1c(sc(C)n1)C(=O)O	6
+FC(F)(F)c1n(c2c(c(C(O)=O)cc(N3CCOCC3)c2)n1)Cc4c(c(Cl)ccc4)Cl	1
+FC(F)(F)c1ccc2cc(c(nc2n1)C)C(=O)O	1
+FC(F)(F)c1c(nc2c(cc(OC)cc2)n1)-c3c(Cl)cc(C(=O)O)cc3	2235
+FC(F)(F)c1nc(c2c(n1)cccc2)NN=C(c3ccc(cc3)C)C	1713
+FC(F)(F)c1c(C)n2c(ccc(CO)n2)n1	453
+FC(F)(F)c1cn2c(CNCC2)n1	4441
+FC(F)(F)c1ncc(-c2ncc(c(n2)CCOC)CO)cc1	897
+FC(F)(F)c1ncc(CN2N=C3N(C2=O)C=CC(c4ccc(cc4)C)=C3Cl)cc1	4768
+FC(F)(F)c1ccc(cn1)CN2C(=O)N3C(C(c4ccc(cc4)Cl)=C(c5ccc(cc5)C)C=C3)=N2	9392
+FC(F)(F)c1ccc(Oc2cc3c(cc2)nc(cc3)C(OC)=O)cn1	9393
+FC(F)(F)c1ncc(cc1)-c2nc(c(COc3ccc(OC(C)(C)C(O)=O)c(C)c3)cn2)CCOC	3
+FC(F)(F)c1ncc(cc1)Cc2n3c(nn2)cc(c(Br)c3)-c4ccc(cc4)Cl	757
+FC(F)(F)c1ccc(Cc2nnc3cc(-c4ccc(cc4)Cl)c(-c5ccc(cc5Cl)Cl)cn23)cn1	89
+FC(F)(F)c1ccc(NC(=O)c2nn(c3ccc(Br)cc23)C4CCCCO4)cn1	510
+FC(F)(F)c1ccc(Nc2ccc(nc2)-c3ccc(cc3)C4CCC(CC4)CC(=O)OC)cn1	3405
+FC(F)(F)c1ncc(cc1)NC(=O)c2ccc(cc2)Oc3c(cc4C(CCOc4c3)C(=O)OC)C#N	487
+FC(F)(F)c1ncc(cc1)NC(=O)c2ccc(cc2)Oc3cc4c(C(CCO4)C(=O)O)cc3C#N	4
+FC(F)(F)c1ncc(cn1)Oc2ccc(cc2)C=O	3029
+FC(F)(F)c1ncc(cn1)Oc2c(F)cc(cc2F)CCOc3nc(c(Cc4cncnc4)cn3)O	3063
+FC(F)(F)c1ncc(cn1)Oc2ccc(cc2)CCO	1709
+FC(F)(F)c1ncc(cn1)Oc2ccc(cc2)C=C	2864
+FC(F)(F)c1cnc(cn1)NCC2N(CC3CC3C2)C(c4nc(ccc4-n5cccn5)C)=O	147
+FC(F)(F)c1nccc(c1)-c2nccnc2Oc3ccc(cc3)C(=O)c4[nH]c5c(n4)cccc5	1940
+FC(F)(F)c1nccc(c1C(=O)O)N	1
+FC(F)(F)c1nccc(n1)N2CCC(CC2)CN	51
+FC(F)(F)c1ncc(c(O)c1)I	625
+FC(F)(F)c1cc(ccn1)Oc2ccc(cc2)[N+]([O-])=O	46
+FC(F)(F)c1nccc(N2C(=O)NC(c3ccc(C#N)cc3Br)C=4C(=O)CCC2=4)c1	3065
+FC(F)(F)c1nccc(N)c1C(NC(C)Cc2ccc(c(c2)F)F)=O	56
+FC(F)(F)c1c(c(N)ccn1)C(NC(Cc2ccccc2)C)=O	56
+FC(F)(F)c1nccc(N2CCC(CC2)C#N)n1	143
+FC(F)(F)c1ncccc1-c2oc(nn2)-c3cc(c(O)c([N+]([O-])=O)c3)OC	5
+FC(F)(F)c1ncccc1-c2oc(-c3cc(c(O)c(O)c3)[N+](=O)[O-])nn2	5
+FC(F)(F)c1cc(ncn1)Nc2nc(-c3scnc3)cc(C)c2	834
+FC(F)(F)c1nn(c(c1)C(Nc2ccc(cc2)Br)=O)-c3ccccc3Cl	772
+FC(F)(F)c1nn(-c2ncccc2Cl)c(C3=Nc4c(C(O3)=O)cc5nsnc5c4Cl)c1	2241
+FC(F)(F)c1nn(c(c1)-c2ccc(cc2)-c3cocc3)-c4ccc(S(=O)(=O)C)c(F)c4	1628
+FC(F)(F)c1nn(-c2ccc(cc2)CC(=O)O)c3c1CCCC3	3
+FC(F)(F)c1nn(c(c1)CNC(=O)Nc2cc(F)c(CO)cc2)-c3c(OC)c(Cl)ccc3	238
+FC(F)(F)c1cc(n(n1)-c2c(cccn2)Cl)C(Nc3c(C(=O)NC)cc4c(nsn4)c3Cl)=O	1302
+FC(F)(F)c1cc(-c2c(cc(NC(=O)c3c(cccc3F)F)cc2)F)n(C)n1	50
+FC(F)(F)c1c(C(Nc2c(-c3cc(F)ccc3F)cccc2)=O)cn(n1)C	9394
+FC(F)(F)c1c(CCOS(=O)(=O)C)cn(n1)CC(=O)Nc2c(c3c(CCCC3)s2)C(=O)N	7
+FC(F)(F)c1nn(CC(N2CCC(CC2)C(N)=S)=O)c(C)c1	2670
+FC(F)(F)c1cc(CNC(Nc2ccc(cc2)C(CO)(CO)O)=O)n(-c3cccc(c3)Cl)n1	238
+FC(F)(F)c1cc(CNC(=O)Nc2cc(F)c(CO)cc2)n(-c3cccc(c3)Cl)n1	238
+FC(F)(F)c1cc(n(-c2cccc(c2)Cl)n1)CNC(=O)Nc3ccc(nc3)C#N	238
+FC(F)(F)c1nn(c(c1)C(=O)Nc2ccc(cc2)-c3ccc(cc3)NC(C)=O)-c4c(Cl)cccc4	11
+FC(F)(F)c1nn(c2c1C(CC(C)(C)C2)=O)-c3ccc(C(N)=O)c(NC4CCC(CC4)N)c3	216
+FC(F)(F)c1c2CCNCc2n(CC(=O)Nc3c(OC)ccc(Cl)c3)n1	2
+FC(F)(F)c1nn(-c2ccccc2)cc1C(NCCN)=O	4340
+FC(F)(F)c1c(C(=O)O)cn(Cc2ccc(cc2)OC)n1	6
+FC(F)(F)c1c(C(C)O)cn(n1)Cc2nc3sc(C)cc3c(O)n2	9395
+FC(F)(F)c1nn(cc1CO)Cc2ccc3c(c2)CCC3N	102
+FC(F)(F)c1nn(cc1CO)Cc2cc3CCC(NS(=O)(=O)c4c(cccc4)OC)c3cc2	71
+FC(F)(F)c1nn2c(COC)ccc(C=O)c2c1	200
+FC(F)(F)c1sc(N(C)C2CCNCC2)nn1	62
+FC(F)(F)c1nnc(Oc2c(C=CC(=O)O)ccc(OCCOC)c2)cc1	108
+FC(F)(F)c1nnc(N(C2CCN(CC2)C(OCc3ccccc3)=O)C)s1	9396
+FC(F)(F)c1nnc2CN(c3n4c(c(Br)n3)c(N)ncc4)CCn12	522
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCCOS(=O)(=O)C)CC2	7
+FC(F)(F)c1oc(CN2c3ccccc3C4(COc5c4nc(O)cc5)C2=O)cc1	104
+FC(F)(F)c1oc(CN2c3ccccc3C4(c5c(OC4)cc6c(OCO6)n5)C2=O)cc1	981
+FC(F)(F)c1oc(CN2C(C(c3c2cccc3)c4c(cc5c(OCO5)c4)OCc6ccccc6)=O)cc1	462
+FC(F)(F)c1oc(CN2c3c(C(O)(c4c(OCc5ccccc5)cc6OCOc6c4)C2=O)cccc3)cc1	22
+FC(F)(F)c1onc(-c2cncc(c2)C(NCCc3nc(-c4ccc(cc4)C#N)oc3)=O)n1	56
+FC(F)(F)c1nnc(N(C)C2CCN(CC2)Cc3ccc(cc3)F)s1	171
+c1cc(ccc1Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC)-n4cccn4	4789
+c1cc(ccc1Br)Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC	4789
+FC(F)(C#N)C(F)(F)OC	143
+FC(F)(Oc1cccnc1C2CC2)C	2222
+FC(F)(Oc1cc(Nc2nccc(-c3cc(CN)ncc3)n2)ccc1)C(F)F	421
+FC(F)(Oc1cc(ccc1)Nc2nccc(n2)-c3ccnc(C(N)=O)c3)C(F)F	1200
+FC(F)(P(O)(O)=O)c1ccc(CN(S(=O)(=O)c2ccccc2)Cc3ccc(cc3)C(O)=O)cc1Br	1
+FC(F)(P(O)(O)=O)c1ccc(CN(S(=O)(=O)c2ccccc2)Cc3ccc(cc3)C(=O)OC)cc1Br	228
+FC(F)(c1ccc(F)c2ccccc12)C(Nc3ccc([N+](=O)[O-])c(CCOC(C)=O)c3F)=O	26
+FC(F)(c1cc(ccc1F)N)C	0
+FC(F)(C)c1cc(N)c(cc1)C(=O)OC	0
+FC(F)(CNc1ccc(C#N)c(c1F)CC(=O)OCC)c2ccc(cn2)C	60
+FC(F)(c1ccc(C)cn1)CN	18
+FC(F)(CI)c1ncc(cc1)C	343
+FC(F)(CNc1c(c(CCO)c(cc1)Cl)F)c2ccc(c3ccccc23)F	15
+FC(F)(C(Nc1ccc(c(CCOC(C)=O)c1F)N)=O)c2ccc(F)c3ccccc23	0
+FC(F)(c1nc2cc(ccc2c(SC)n1)C#N)c3ccc(F)cn3	2627
+FC(F)(c1ccc(C)cn1)CO	44
+FC(F)(c1ncc(F)cc1)c2nc3c(cccc3Cl)c(n2)O	4790
+FC(F)(c1ncc(F)cc1)c2nc(c3ccc(cc3n2)OC)O	4790
+FC(F)(C(Nc1c(C(N)=O)cccc1)=O)c2ccc(F)cn2	33
+FC(F)(C(=O)Nc1ccc(c(CCO)c1F)Cl)c2ccccc2	1030
+FC(F)(c1ccccc1)CNc2c(F)c(c(cc2)Cl)CC(=O)O	2154
+FC(F)(c1ccccc1)CNc2c(c(c(cc2)Cl)CC=O)F	24
+FC(F)(c1nc2cc(ccc2c(SC)n1)C(N)=O)c3ccc(F)cn3	2265
+FC(F)(c1nc2c(cccc2)c(n1)Nc3ncc(C)s3)c4ncc(cc4)F	9397
+c1cc(ccc1S(=O)(=O)OCC(F)(F)c2ncccc2)C	36
+FC(F)(c1nn2cc(nc2s1)-c3oc4cccc(N)c4n3)C	13
+FC(F)(c1nn2cc(-c3nc4c(cccc4[N+]([O-])=O)o3)nc2s1)C	9398
+O=S(=O)(C)OCCC(C)=C(F)F	7
+FC(F)=C(CCOC(c1c(C)nc(OCCCCCl)nc1)=O)C	3078
+FC(F)=C1C2(C)C(CC1)C3C(C(OC)C2)c4ccc(O)cc4CC3	805
+O=S(=O)(c1c(F)cc(-n2c(cc(n2)C(F)F)-c3cc(Cl)c(cc3)C)cc1)N	4623
+FC(F)C(N=C1C=CC=CN1Cc2ccc(nc2)F)=O	9399
+FC(F)c1cc(ncn1)O	9400
+FC(F)c1[nH]c2cc(cc(Br)c2n1)[N+](=O)[O-]	442
+FC(F)c1[nH]c2c(c(cc(c2)[N+]([O-])=O)OC)n1	442
+FC(F)C1(NC(COC1)=S)c2cccc(c2F)F	199
+FC(F)C1(c2cccc(c2F)F)COCC(=N1)N	4791
+FC(F)C1(COCC(=N1)N)c2cc([N+](=O)[O-])cc(c2F)F	77
+FC(F)c1ncnc(O)c1Oc2cc(Cl)cc(C#N)c2	9401
+FC(F)CCOc1c(ccc(C#Cc2ccc(c(C)c2)OC(F)F)c1)F	455
+FC(F)COc1ccccc1	2983
+FC(F)Cn1ncnc1	4540
+FC(F)COc1cc(NC)c(cc1C(OCC)=O)N	0
+FC(F)COc1c(cc(N)c(NC)c1)C(=O)Nc2ccc(cc2)Br	0
+FC(F)COc1c(C(=O)OCC)cc(N)c(N)c1	0
+c1cc(ccc1OCC(F)F)C(CCCCCl)c2[nH]c(Nc3cc(F)c(cc3)-n4c(nc(n4)C)C)nn2	4792
+c1cc(ccc1C(c2c(ccc(Br)c2)Cl)=O)OCC(F)F	222
+FC(F)Oc1cc(C=O)cc2c1OC(C)C(=O)N2	1548
+FC(F)Oc1cnc(Cl)c(c1)Cl	9402
+c1cc(ccc1-n2cccn2)Cc3c(OC(F)F)nc4c(c3C)c(OCC(=O)OC)ccc4Cl	9403
+c1cc(ccc1C(=COC(F)F)C(NCCc2ccc(OCc3ccccc3)c(OC)c2)=O)Cl	9404
+FC(F)Cn1ncc(c1)Nc2ncc3c(n2)n(CC4CCCN(C4)S(=O)(=O)C)nc3	2827
+FC(F)N1C(=NN(c2cc(c(C)cc2Cl)OC(C(=O)O)C)C1=O)C	4
+FC(F)N1C(=O)N(c2c(cc(C)c(OC)c2)Cl)N=C1C	662
+FC(F)N1C(=NN(c2c(cc(C)c(O)c2)Cl)C1=O)C	5
+FC(F)N1C(N(N=C1C)c2c(cc(OCc3cccc(OC(C)C(OC)=O)c3)cc2)F)=O	139
+FC(F)N1C(N(c2ccc(N)cc2F)N=C1C)=O	0
+c1cc(ccc1C(=O)O)Oc2cc(N3N=C(N(C3=O)C(F)F)C)c(F)cc2Cl	6
+FC(F)N1C(=O)N(c2ccc(cc2F)O)N=C1C	956
+C1C(CC1C(=O)O)COC(F)F	3
+FC(F)OCCCc1cc(cc(Br)c1C)C=O	1766
+FC(F)Oc1c(Cl)c(-c2cc(c(cc2Cl)Cl)C3C(C#N)(O3)C(=O)OCC)nn1C	9405
+FC(F)Oc1c(c(-c2ccc(Cl)c(c2)CO)nn1C)Cl	59
+FC(F)Oc1c(F)c(F)c(c(C(=O)C(C(=O)OCC)=COCC)c1F)[N+]([O-])=O	4793
+FC(F)Oc1c(F)c(cc(F)c1F)C(=O)O	6
+FC(F)Oc1c(F)c(C(=O)OCC)cc(F)c1N=[N+]=[N-]	1870
+FC(F)Oc1c(c(F)cc(c1F)C(OCC)=O)N	912
+C1CC1N2c3c(OC(F)F)c(c(c(N)c3C(C(=C2)C(OCC)=O)=O)F)F	0
+FC(F)Oc1ccccc1N2N=C(C(=O)C(=C2)OC)C(=O)C	1183
+FC(F)Oc1c(OC)cc(cc1)CO	41
+FC(F)Oc1c(Cl)c(nn1C)-c2ccc(Cl)c(COC(C)=O)c2	283
+FC(F)Oc1c(N)c(F)cc(C(=O)O)c1F	6
+FC(F)Oc1c(F)c(c([N+](=O)[O-])c2C(C(C(=O)OCC)=CN(C3CC3)c12)=O)F	2020
+FC(F)Oc1ccc(Br)c(OCC(=O)O)c1OC	3
+c1(cc(cc(F)c1)C2(SCCCS2)C(O)c3cc(c(cc3)OC(F)F)C)F	3077
+c1ccccc1CCCC(n2cnc3c(nc(nc23)Cc4cc(c(cc4)Cl)OC(F)F)O)C(O)C	4794
+FC(F)Oc1c(N2C=C(C(=O)C(=N2)C(N(OC)C)=O)OC)cccc1	2264
+FC(F)Oc1c(cccc1)N2C=C(C(C(C(=O)OC)=N2)=O)OC	1181
+FC(F)Oc1c2oc3c(c2c(C(O)=O)cc1)cncc3	1
+c1cc(ccc1[N+]([O-])=O)OC(c2c3c4c(ccnc4)oc3c(OC(F)F)cc2)=O	852
+FC(F)Oc1cc2n3c(nnc2c(OC)c1)c(C)nc3-c4cncc(OC)c4	2051
+FC(F)Oc1cc(-n2cc(C)nc2-c3cncc(OC)c3)c(c(OC)c1)N	0
+FC(F)Oc1cc(nn1C)-n2c(c(C(=O)O)cn2)C	6
+FC(F)Oc1cc(nn1C)-n2ncc(c2C)C#N	4740
+FC(F)Oc1c(cc(F)c(NN)c1)Cl	427
+FC(F)Oc1cc(Nc2c3cc(NC(c4ccc(nc4)OC)=O)ccc3nc(-c5nccnc5)n2)ccc1	971
+FC(F)Oc1cc(-n2cc(nc2-c3cc(cnc3)OC)C)c([N+]([O-])=O)c(c1)OC	4795
+FC(F)Oc1cc(N)c(cc1Cl)F	0
+FC(F)Oc1cc(C)cc(C)c1CC=O	9406
+FC(F)Oc1cc(Nc2c3cc(ccc3nc(n2)-c4nccnc4)N)ccc1	0
+FC(F)Oc1c(ccc(CC=O)c1)C#N	2775
+FC(F)Oc1cc(-n2ncc(c2C)C(=O)N)nn1C	9407
+FC(F)Oc1n(nc(c1Cl)-n2c(N)c(C#N)cn2)C	1188
+FC(F)Oc1n(nc(-n2c(c(C#N)cn2)C)c1Cl)C	1188
+FC(F)Oc1cc(nn1C)-n2c(c(cn2)C#N)N	9408
+FC(F)Oc1cc2cc3c(C(OC3=O)=O)nc2cc1	9409
+FC(F)Oc1cc2c(nc(C(=O)O)c(C(O)=O)c2)cc1	1
+FC(F)Oc1ccc(cc1OC)-c2nnc(cc2)NN	599
+FC(F)Oc1c(OC)cc(cc1)-c2n[n+]([O-])c(cc2)N	9410
+FC(F)Oc1c(C)cc(cc1)C#Cc2ccc(F)c(c2)OCC	455
+FC(F)Oc1ccc(cc1OCC)C(CC(=O)OC)N2Cc3c(C2=O)c(NC(=O)C)ccc3	26
+FC(F)Oc1ccc(C(CC(=O)OC)N2Cc3cccc(N)c3C2=O)cc1OCC	0
+FC(F)Oc1ncc(C=CC(O)CCCCc2nc3c(CCCN3)cc2)cc1	4796
+FC(F)Oc1c(OC)cc(Cc2nc3n(CC(C)O)cnc3c(n2)O)cc1	4794
+FC(F)Oc1c(OC)cc(CC#N)cc1	177
+FC(F)Oc1ccc(c(c1OC)O)Br	241
+FC(F)Oc1ccc(cc1-c2nn(cc2NC(=O)c3c4n(cccn4)nc3)CCNCc5cccnc5)Cl	132
+c1cnccc1CNCCn2nc(c(c2)NC(=O)c3c4n(cccn4)nc3)-c5cc(Cl)ccc5OC(F)F	132
+FC(F)Oc1cc([N+](=O)[O-])c(F)cc1Cl	31
+FC(F)Oc1ccc(-c2ccc(nn2)N)cc1OC	2574
+FC(F)Oc1c(cc(cc1)C(N2C(=O)c3c(cccc3NC(=O)C)C2)CC(O)=O)OCC	4
+FC(F)Oc1cc2c(nc(c(C(=O)O)c2)C(=O)OC)cc1	1
+CC(C)C1(NC(=NC1=O)c2nc3ccc(cc3cc2C(O)=O)OC(F)F)C	9411
+FC(F)Oc1cccc(F)c1C(O)=O	1
+FC(F)Oc1cc(ccc1)Nc2c3cc([N+](=O)[O-])ccc3nc(-c4nccnc4)n2	73
+c1cnccc1-c2n3nc(ccc3nc2NC(=O)C)-c4cc(c(nc4)Cl)NS(=O)(=O)c5cccc(c5)OC(F)F	9412
+FC(F)Oc1cccc(c1)S(=O)(=O)Nc2c(ncc(c2)-c3ccc4nc(NC(C)=O)c(n4n3)I)Cl	3079
+FC(F)Oc1ccccc1COc2c(C(=O)OC)sc(-n3cnc4cnccc34)c2	3080
+FC(F)Oc1ccccc1COc2cc(-n3c4ccncc4nc3)sc2C(=O)N	1355
+CN(C)C=CC(C1=NN(c2c(cccc2)OC(F)F)C=C(OC)C1=O)=O	3076
+FC(F)Oc1ccc(nc1)CO	194
+c1c(Cl)c(c(cc1N)Cl)Oc2c(cc(OC(F)F)cn2)Cl	136
+FC(F)Oc1c(c(-c2c(Cl)cc(c(c2)C(=O)O)Cl)nn1C)Cl	1182
+FC(F)Oc1n(nc(c1Cl)-c2ccc(Cl)c(N)c2)C	0
+FC(F)Oc1ncc(cc1Cl)COC	382
+FC(F)Oc1c(Cl)cc(cn1)C=O	200
+FC(F)Oc1ccc(C=CC(CCCCc2nc3c(CCCN3)cc2)=O)cn1	9413
+FC(F)Oc1ncc(CO)cc1Cl	88
+FC(F)c1n(-c2nc(nc(c2)Cl)SC)c3c(cccc3)n1	4648
+C1CN(CCO1)c2nc(Cl)nc(-n3c(C(F)F)nc4c(OC)cccc34)n2	4647
+FC(F)c1c(-c2cc(O)ncn2)c(c(Cl)cc1)F	104
+FC(F)c1nc(c(cc1C(OCC)=O)C#N)N2CC(C2)C(NS(=O)(=O)Cc3ccccc3)=O	43
+c1cc(ccc1-c2oc3cc(c(cc3c2C(NC)=O)C4CC4)N(S(=O)(=O)C)c5ccc(c(C(F)F)c5)Br)F	1078
+FC(F)c1cc(N)c(cc1I)C(OC)=O	184
+FC(F)c1cc(N2C3=C(C(NC2=O)c4ccc(cc4)C#N)C(CC3)=O)ccc1	160
+FC(F)c1cc(N2C=3CCC(=O)C=3C(NC2=O)c4ccc(cc4)Br)ccc1	4758
+FC(F)c1c(Br)c(C)n(C2OCCCC2)n1	1738
+FC(F)c1nc(c(cc1C(OCC)=O)C#N)N2CC(C2)C(=O)NS(=O)(=O)Cc3c(F)cccc3F	344
+C1N(CC1C(=O)NS(=O)(=O)c2ccc3ccccc3c2)c4nc(c(cc4C#N)C(=O)OCC)C(F)F	344
+c1cc(ccc1)CS(=O)(=O)NC(C2CN(C2)c3c(C#N)cc(c(n3)C(F)F)C(=O)O)=O	6
+c1cc(ccc1OC)CN2C(=O)C(Br)=C(C(F)F)N=C2	9414
+c1cc(ccc1I)C(N(OC)C(=O)c2cn(nc2C(F)F)C)C	3025
+c1c(Cl)c(c(cc1Cl)Cl)CCCC(C)NC(=O)c2c(C(F)F)nn(C)c2	597
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3scc(C4=NOC(C4)c5ccccc5CO)n3	41
+c1cc(ccc1C(c2c(nc(Br)n2CC=C)C(OCC)=O)Nc3cn4c(nnc4C(F)F)c(c3)C)Cl	9415
+FC(F)c1nnc2n1cc(N)cc2C	13
+FC(F)c1sc(C(Nc2n(CC3N(CCC3)C(=O)CC#N)c4ccc(CO)cc4n2)=O)cc1	10
+C1N(CC1Cn2c3c(cccc3)nc2NC(c4sc(cc4)C(F)F)=O)C(=O)CC#N	10
+FC(F)c1sc(C(=O)Nc2n(c3ccc(cc3n2)C=O)CC4N(CCC4)C(=O)CC#N)cc1	39
+FC(F)n1nc(c(Cl)c1)C(N(C)OC)=O	4797
+FC(F)n1nc(CNc2cc(c(F)cc2)C3(N=C(N)COCC3(F)F)CC)c(Cl)c1	9416
+FC(F)n1cc(Cl)c(n1)C(=O)O	1
+FC(F)n1cc(c(C=O)n1)Cl	2231
+FC1(F)C(C(C2C(C1)(C(OC2C)=O)CCC(=O)N)C=Cc3ncc(Br)cc3)C	83
+FC1(F)CC2(CCC(=O)N)C(=O)OC(C)C2C(C1C)C=Cc3ncc(cc3)-c4c(cccc4)C#N	89
+FC1(F)C(C2c3ccccc3N(CC(N)=O)CC2)C1	3950
+FC1(F)C(C2CCNc3ccccc23)C1	15
+FC1(F)CC1C2c3c(cccc3)N(CCN)CC2	15
+FC1(F)C(CC(CNC(=O)c2cc(CCO)n3cccc(Cl)c23)CC1)C	88
+FC1(F)C(CN2c3c(nc(-c4cc(C(=O)O)ccc4C)cc3)N(S2(=O)=O)C)C1	1
+FC1(F)C(CN2c3c(nc(-c4c(C)ccc(CN5CCN(CC5)C(=O)C(O)C)c4)cc3)N(S2(=O)=O)C)C1	10
+FC1(F)C(CN2c3c(nc(-c4cc(CO)ccc4C)cc3)N(S2(=O)=O)C)C1	49
+FC1(F)C(F)(F)CN(C1)c2c(F)c(N3C=C(C(C(c4n(ncc4)-c5ccccc5)=N3)=O)OC)ccc2	79
+FC1(F)C(N(c2c(nc(nc2)Nc3cc(c(cc3OC)C(=O)O)F)N(C4CCCC4)C1)C)=O	1
+FC1(F)C(N(c2c(nc(nc2)Nc3c(cc(c(F)c3)C(NC)=O)OC)N(C4CCCC4)C1)C)=O	14
+FC1(F)CCCC(Nc2cnc(C#N)c(Cl)n2)C1N	464
+FC1(F)CCC(N2CC(C)(C)C(=O)Nc3cnc(Cl)nc23)C1	2044
+FC1(F)C2N(C(C1)CC(=O)C2)Cc3ccccc3	86
+FC1(F)CCC(C(Nc2cc3c(cc2)[nH]cc3C(=O)C)=O)C1	432
+FC1(F)CCC(C(Nc2cc3c([nH]cc3)cc2)=O)C1	33
+C1CC(CCC1)C(=O)C2CCC(CC2)(F)F	86
+FC1(F)CCC(CC1)C=O	24
+FC1(F)CCCC(CNC(=O)c2cc(n3cccc(Cl)c23)CCOCC)(O)C1	56
+FC1(F)CCCC(Nc2cnc(C#N)c(Nc3ccc(cc3)-c4ccncc4)n2)C1N	1410
+FC1(F)CCCC(Nc2cnc(c(Nc3ccc(cc3)-c4ccncc4)n2)C(=O)N)C1N	1198
+C1CN(CCC1(F)F)CCO	95
+FC1(F)CCN(CC1)c2c3c(ncc(C(N)=O)c3)cnc2	393
+FC1(F)CCN(CC1)c2c3cc(C(O)=O)cnc3cnc2	6
+FC1(F)CN(C1)c2ncc(nc2OCC3CC3)C(N4CC5OCC4C5)=O	777
+FC1(F)CN(C1)c2c(nc(C(NC(C)(C)CC(NC)=O)=O)cc2)OCC3CC3	9
+FC1(F)CN(C1)c2c(nc(C(=O)NC(C)(C)CC(O)=O)cc2)OCC3CC3	3
+FC1(F)CN(C1)c2ccc(nc2OCC3CC3)C(=O)O	1
+FC1(F)C(N(c2c(nc(Nc3ccc(cc3OC)C(=O)O)nc2)N(C4CCCCC4)C1)C)=O	55
+O=S(=O)(OC=1c2ccccc2C(=O)N(CC(N(CC)c3ccc4OC(F)(F)Oc4c3)=O)N=1)c5ccc(cc5)C	9417
+FC1(F)Oc2c(O1)ccc(C=CC(N)=O)c2	2045
+c1cc(ccc1CCCCn2nncc2)OCc3nc(C=Cc4cc5OC(F)(F)Oc5cc4)oc3	547
+FC1(F)Oc2c(ccc(CO)c2)O1	611
+FC1(F)Oc2cc(ccc2O1)CC#N	177
+FC1(F)Oc2cc(NC(=O)c3c(NCc4ccnc(Nc5nc(cs5)C)c4)cccc3)ccc2O1	1731
+FC1(F)Oc2c(cccc2N3N=C(C(C)=O)C(=O)C(OC)=C3)O1	1183
+FC1(F)Oc2c(cccc2N3N=C(C(O)=O)C(=O)C(OC)=C3)O1	4
+CN(C)C=CC(C=1C(=O)C(=CN(N=1)c2cccc3c2OC(F)(F)O3)OC)=O	3076
+FC1(F)Oc2c(cccc2N3N=C(C(=O)C(=C3)OC)C(N(C)OC)=O)O1	2101
+FC1(F)Oc2c(ccc(NC(c3c(cccc3)N)=O)c2)O1	0
+C(c1c(cccc1)F)(Nc2ccc(cn2)-c3cc4OCCc4cc3Br)=O	9418
+FC1(F)Oc2cc(NC(c3c([N+](=O)[O-])cccc3)=O)ccc2O1	50
+FC1(F)Oc2ccc(C3(CC3)C(Nc4ccc(c(-c5c(ncc(C)c5)O)n4)C)=O)cc2O1	104
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4nc(c(C)c(c4)C)-c5ccc(nc5)OC)=O	3081
+O=S(=O)(C)NC(=O)c1cc(ccc1)-c2nc(NC(=O)C3(CC3)c4ccc5OC(F)(F)Oc5c4)ccc2C	258
+c1(c(N)c(c2C(C(=CN(C3CC3F)c2c1C)C(OCC)=O)=O)[N+](=O)[O-])F	623
+N1(CC(F)CC1C(Nc2nc(ccc2)Cl)=O)C(=O)Cn3c4c(cc(cc4)Nc5nnccc5)c(C(N)=O)n3	348
+c12c(C(=O)N(C1=O)C(C)C3=C(C(N4C=C(F)C=CC4=N3)=O)Br)cccc2	4798
+FC=1C=CC2=NC(=C(C(N2C=1)=O)Br)C(C)O	3604
+c12c(cc([N+]([O-])=O)cc1nc([nH]2)CF)Br	442
+C(F)C(Nc1c(OC)cc(c(O)c1)C)=O	3976
+C(F)C(CF)(C)C(CC#N)=O	1982
+c1cc(ccc1)OC(=O)Nc2onc(C(CF)(CF)C)c2	4799
+FCC1(CF)Oc2c(cc(I)cc2)C(=C1)C(OCC)=O	158
+FCC1(CF)Oc2ccc(N)cc2C(=C1)C(OCC)=O	0
+n1n(cc(I)c1)CCF	1717
+S(c1cc(nc(NCCF)c1)N)C	9419
+c1ccccc1CON2C(c3c(N(CCF)C2=O)cc(c(F)c3)F)=O	9420
+FS(F)(F)(F)(F)c1cc2c([nH]cc2CN3C(C=4N(CC3)C(C(=CC=4)n5cc(nc5)C)=O)=O)cc1	3055
+N#CC(C#N)=C(C)c1cc2ccc(cc2cc1)N(CCOCCF)C	559
+O=S(=O)(C)Nc1cccc2n(ccc12)C(CC)(c3ccc(cc3)Cl)CCF	559
+c1c(Br)nc(CF)cc1	9421
+c1cc(ccc1)C(C)N2C(CC(C2)CC(CF)C)=O	559
+c1ccccc1CN(C2CCCC2)CC(C(=O)OCC)(F)C	9422
+c1cc(ccc1-c2cn3c(cc(C)c(CCF)c3)n2)N(C)C	559
+c1cc(ccc1-c2csc(N3C(COC3=O)CF)n2)Br	559
+C1CN(CCN1CCc2ccc(cc2)[N+]([O-])=O)CC(F)c3ccc(cc3)[N+]([O-])=O	3913
+c1cccc2C(=O)N(C(=O)c12)CCN(CCF)CC	559
+c1ccccc1C(=O)OC2C(C3CC(=O)OC3C2)CCC(COc4cccc(c4)Cl)F	2124
+c1ccccc1CCCF	559
+n1c(Br)cc(C2(CF)COCC(=O)N2)cc1	559
+C1CC1c2ccc(C=O)cc2C#N	4800
+C1CC1c2cc(-c3ccc4c(c3Cl)CC(=O)N4C)cnc2	2060
+O1Cc2c(OC)c(C=C)ccc2C1=O	2225
+c1(c2c(ccn2C)cc(C=O)c1C=C)F	9423
+Cc1ccc(cn1)C=C	3067
+C(C)OC(c1n2cc(ccc2nc1)C=C)=O	3067
+S1c2cc(C#N)ccc2C=Cc3c1ccc(F)c3	4801
+c1cc2c(F)cccc2c(OC)c1	4801
+c12ncc(cc1cccc2)F	9424
+Fc1c(C)ccc(c1)CN2CCC(C2=O)N3CC(C(c4cc(F)c(cc4)O)CC3)F	5
+c1cc(ccc1CNCCc2c(F)cccc2)-c3onc(CCCCCCCCCCC)n3	42
+c1cc(ccc1C=O)OCc2c(F)cccc2	139
+c1cc(ccc1CCOc2c(cccc2)C(OC)=O)OCC(=O)N(CC)Cc3ccccc3F	10
+c1(c(ncc(c1)C(=O)OC)[N+](=O)[O-])OCc2c(F)cccc2	9425
+c1(C(N)=S)nc(nc2n(Cc3c(F)cccc3)cnc12)N	4802
+c1cc(ccc1CN(S(=O)(=O)c2cc3cc(Cl)nc(c3cc2)Br)c4nccs4)OC	9426
+O=S(=O)(Nc1nccs1)c2ccc3c(ccnc3Cl)c2	4752
+Fc1c(F)cc(c(c1)C(=O)C(C(OCC)=O)=COCC)Br	4793
+c1(OCCO)c(cc(c(F)c1)F)F	57
+c1(F)c(F)c(c(c(F)c1C)F)C(O)=O	634
+Fc1c(cc(N)c(C(NC)=O)c1)F	0
+c1(ccc(c(F)c1C(=O)O)F)Br	634
+Fc1c(F)cn(c1)-c2cc(c(cc2)N3N=C(C(O)=O)C(=O)C(OC)=C3)OCc4ccccc4	4
+Fc1c(F)cn(c1)-c2cc(c(N3C=C(OC)C(C(=N3)C(N(C)OC)=O)=O)cc2)OCc4ccccc4	2101
+Fc1cn(cc1F)-c2cc(OCc3ccccc3)c(cc2)[N+]([O-])=O	22
+Fc1c(OC)cc(OC)c(F)c1N2Cc3c(c4ccn(S(=O)(=O)c5ccccc5)c4nc3)N(CC=O)C2=O	465
+Fc1c(OC)cc(OC)c(F)c1N2Cc3cnc4n(S(=O)(=O)c5ccccc5)ccc4c3N(C2=O)CCO	237
+Fc1c(OC)cc(OC)c(F)c1N2C(=O)N(CC=C)c3c4c(ncc3C2)n(S(=O)(=O)c5ccccc5)cc4	276
+Fc1c(OC)cc(OC)c(F)c1N2Cc3c(c4cc[nH]c4nc3)N(CCO)C2=O	1017
+c1(c(F)c(ccc1)OCC)C(=O)O	634
+c1c(cc(C(=O)c2cc(c(cc2)OCC)F)c(Cl)c1)Br	222
+c12c(cccc1C(C)C(=O)O2)Oc3c(F)cccc3	9427
+Nc1nc(nc(N)c1[N+]([O-])=O)-n2c3c(c(Oc4ccccc4F)n2)cccc3	4803
+c1c(Nc2c(c(F)cc(c2F)F)[N+](=O)[O-])c(F)cc(I)c1	275
+OCCONC(=O)c1c(c(c(F)c(c1)F)F)Nc2ccc(I)cc2C	1000
+O(c1c(cc(c(F)c1)N)F)c2cc(C(N)=O)ncc2	242
+c1(F)cc2c(O)ncnc2cc1F	9428
+c1(F)cc2c(O)ncnc2cc1F	1116
+Fc1c(cc(Oc2c(O)cccc2)c(N)c1)NC(C)=O	0
+c1(c(cc(c(c1CO)F)[N+]([O-])=O)F)F	49
+Fc1c(F)cc(c(Nc2n(-c3ncccc3)nc(C)c2)c1)C(O)=O	9429
+c1cc(ccc1)CN(C)C(c2cc(NC(=O)c3cc(c(cc3Cl)F)F)[nH]n2)=O	147
+Fc1cc2c(Nc3c(C(N4CC(CCOC)NCC4)=N2)ccs3)cc1F	3073
+c1cc(-c2nn3c(Cc4ccc5nccnc5c4)cnc3nc2)cc(c1C#N)F	160
+[O-][N+](CCc1cc(F)c(cc1)F)=O	364
+O=S(=O)(NC1CC1)c2c(F)ccc(NC(c3ccc(F)c(c3)F)=O)c2	50
+Fc1cc(c(C)cc1F)C(=O)Nc2[nH]nc(C(NCc3oc(nc3C(=O)OCC)C)=O)c2	81
+Fc1c(cc(c(C)c1)O)C	5
+c1(Cl)c(F)c(F)c(C)c(F)c1[N+](=O)[O-]	31
+Fc1cc(Cl)c(F)c(F)c1C	1030
+c1ccccc1CONC(=O)c2cc(F)c(cc2Nc3ccc(F)cc3F)F	514
+Fc1cc(c(C(O)=O)cc1F)Nc2ccc(F)cc2F	275
+c1(cc(-n2ccnc2)c(F)cc1[N+]([O-])=O)NCC(OCC)=O	431
+Fc1c(F)cc(c(C(=O)NC)c1)[N+]([O-])=O	14
+Fc1cc(cc(F)c1)-c2n3c(c(c(C)n3)I)nc(c2)Cl	1390
+c1(cc(cc(F)c1)C(=O)C(c2ccc(c(c2)C)OC(F)F)=O)F	4804
+c1c(F)cc(cc1C(C(=O)c2ccc(cc2)OC(F)F)=O)F	4804
+c1c(F)cc(cc1C(=O)c2cc(c(F)cc2)C#N)F	335
+c1c(F)cc(cc1Cc2ccc(c(c2)C#N)F)F	452
+c1c(F)cc(cc1C2=CCOCC2)F	252
+Fc1cc(cc(F)c1)CCO	21
+c1c(F)cc(cc1CC(NC(C)C(OC)=O)=O)F	188
+c1c(F)cc(cc1CC2NC(OC2C3N(Cc4ccccc4C3)Cc5ccc(cc5)OC)=O)F	48
+c1(cc(cc(F)c1C(=O)O)OC)F	634
+c12c(C(=O)N(C1=O)CCCN(C)CCOc3cc(F)cc(F)c3)cccc2	28
+c1(Oc2cccnc2)cc(cc([N+]([O-])=O)c1)F	551
+Fc1cc(cc(F)c1-c2nc(C(OC)=O)ccc2F)CO	41
+Fc1cc(cc(F)c1-c2nc(C(OC)=O)ccc2F)CC#N	2490
+c1(F)cc(cc(F)c1-c2c(F)ccc(C(O)=O)n2)OC	1
+c1ccccc1COc2cc(cc(F)c2-c3sc(nn3)N)Br	57
+n1c(csc1-c2cccc(Cl)c2F)C(=O)O	9430
+Nc1c(c(c(c(F)c1)Br)F)Cl	196
+c1(cc(cc(F)c1C(c2cc(C(O)=O)[nH]c2)=O)F)F	787
+Fc1cc(cc(F)c1C)CCC(OCCCC)=O	159
+c1c(F)c(c(cc1CCC2NCCCc3n(CC)nc(C)c23)F)C	2967
+Fc1cc(cc(F)c1C)CCC(NCCCc2cc(C)nn2CC)=O	9
+Fc1cc(cc(F)c1C)CCC(O)=O	1317
+Fc1cc(cc(F)c1C=2N(CC(C)CC)C(=O)C(=NC=2Cl)n3cccn3)O	5
+Fc1cc(cc(F)c1C2=C(N=C(C(=O)N2CC(C)CC)n3cccn3)Cl)OC	9431
+c1(cc(cc(F)c1C=CCO)NC(=O)OC(C)C)F	2219
+c1(F)cc(cc(F)c1CN)C#N	817
+Fc1cc(cc(F)c1CC#N)Br	163
+c1c(F)c(c(cc1Br)F)CC(=O)O	3296
+c1(cc(cc(F)c1CC(Nc2nnccc2C(=O)OCC)=O)F)F	195
+C1CC1c2cc3c(s2)N(C(=O)NC3=O)Cc4c(F)cc(cc4F)-c5c(cccc5)C#N	4805
+c1(cc(cc(F)c1Oc2cc(cc(C(OCC)=O)c2)O)C#N)F	46
+Fc1cc(cc(F)c1SC)C(C)=O	411
+Fc1cc(cc(F)c1F)C=2c3cc(O)ccc3C(N(c4cccc(c4)C#N)C=2)=O	5
+c1ccccc1Oc2c(F)cc(cc2F)C=C(C)C(OCC)=O	46
+c1(cc(cc(F)c1F)CCC2CCC(CC2)=O)F	374
+c1ccccc1COc2c(cc(cc2F)[N+]([O-])=O)F	57
+c1c(F)c(c(cc1[N+](=O)[O-])F)-n2cnc(n2)C	2267
+Fc1cc(cc(F)c1N2CCN(CC2)C(C)=O)O	606
+Fc1cc(cc(F)c1OCc2ccccc2)C=O	139
+c1ccccc1COc2c(cc(cc2F)CO)F	41
+c1c(F)c(c(cc1N)F)O	16
+Fc1cc(cc(F)c1Oc2ccc(cc2)S(=O)(=O)NCCOCCOCCOCCN)C=C(C)C(=O)OCC	18
+Fc1cc(cc(F)c1Oc2ccnc3[nH]ccc23)NC(=O)C	26
+c1c(-c2ccc(cc2F)F)c(ccc1)C(C)N	474
+C(C)c1c(cc(Oc2c(cc(C#N)cc2)F)c(c1)OC)F	46
+c1nc(nn1-c2ccc(cc2F)C#N)C(=O)OC	2267
+c1(ccc2n(c1)c(cn2)-c3nccc(n3)NC4CN(CCC4)c5c(F)cc(cc5)C#N)C#N	34
+O=S(=O)(C)NC(c1ccc(c(Cl)c1)OCc2cc(F)c(cc2)F)=O	258
+c1cc(ccc1)-c2n3-c4cc(F)c(cc4NC(Cc3nn2)=O)F	9432
+c1(cccc(F)c1-c2c(cc(c(C(O)=O)n2)N)F)F	1
+Fc1cccc(F)c1-c2nc(C(=O)O)c(N)cc2	1
+Fc1cccc(F)c1-c2cccc(-c3cc4c(nccc4O)cc3)n2	16
+Fc1cccc(F)c1-c2scc(C(O)=O)n2	6
+c1c(F)c(c(cc1)F)C(=O)C(C(=O)OCC)=[N+]=[N-]	9433
+Fc1cccc(F)c1C(c2c(nc(NC3CCN(CC3)S(=O)(=O)CCCI)s2)N)=O	363
+c1c(F)c(c(cc1)F)C(=O)c2sc(nc2N)NC3CCN(CC3)S(=O)(=O)CCCSc4ncccc4	9434
+c1c(F)c(c(cc1)F)C(=O)c2sc(nc2N)NC3CCN(CC3)S(=O)(=O)CCCSc4ccncc4	4460
+Fc1cccc(F)c1CCC(OCC)=O	159
+c1c(F)c(c(cc1)F)C(=NO)Cl	761
+c1cc(ccc1S(=O)(=O)C(c2c(F)cccc2F)NC=O)C	9435
+Fc1cccc(F)c1C=NO	135
+Fc1cccc(F)c1C=CC(OCC)=O	530
+Fc1cccc(F)c1COc2c(N)nccc2	483
+Fc1cccc(F)c1CCCO	44
+Fc1cccc(F)c1COc2c3n(c(C(=O)OCC)c(n3)C)ccc2	1316
+Fc1cccc(F)c1COc2cccn3c(c(nc23)C)C(N)=O	2268
+Fc1cccc(F)c1COc2cccn3c(C(NCC(C)(COC)N)=O)c(nc23)C	312
+c1c(F)c(c(cc1)F)COc2c3n(c(c(C)n3)C(NC4Cc5c(cccc5)NC4)=O)ccc2	312
+Fc1cccc(F)c1COc2cc(C#C)cn3c(c(nc23)C)C(O)=O	6
+Fc1cccc(F)c1COc2c3n(c(C(=O)O)c(C)n3)ccc2	6
+Fc1cccc(F)c1COc2cc(Br)cn3c(c(nc23)C)C(O)=O	6
+Fc1cccc(F)c1COc2c3n(ccc2)c(c(n3)C)C(NO)=N	2269
+Fc1cccc(F)c1COc2c3nc(C)c(n3cc(c2)Br)C(=O)OCC	1316
+Fc1cccc(F)c1COc2cccc3n2nc(C)c3C(=O)O	6
+Fc1cccc(F)c1COc2c3nc(C)c(n3ccc2)C#N	1751
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2c(c(C(=O)OC)ccc2)F	69
+c1cc(ccc1-c2ncnc(c2)Nc3ccc(cc3)NS(=O)(=O)c4c(F)cccc4F)F	69
+c1([N+]([O-])=O)ccc(F)c(c1)CC(=O)O	77
+Fc1c(F)cn(c1)-c2ccc(N)c(c2)OCc3ccccc3	0
+Fc1c(F)cn(c1)-c2cc(c(N3N=C(C(C(OC)=C3)=O)C(=O)OC)cc2)OCc4ccccc4	1181
+Fc1cnc2c(c1I)c(C(=O)c3c(F)c(N)ccc3F)c[nH]2	0
+Fc1cncc(F)c1-c2c(nc(c(c2)N)N)-c3c(F)cccc3	13
+c1c(F)c(c(cn1)F)-c2cc(c(nc2-c3cnccc3)N)N	13
+c1(c(F)cc(cn1)F)CNc2nc(F)c(cc2[N+]([O-])=O)F	182
+c1cc(ccc1F)C(C)Nc2c([N+](=O)[O-])cc(c(n2)F)F	182
+C(CCCc1ccc(F)nc1)CCC(C(=O)OC)O	4364
+C(Cl)c1ccnc(F)c1	9436
+COc1cc(Cl)c(cc1F)I	158
+c1(ccc(cc1I)F)C(=O)O	158
+c1c(I)nc(c(N)c1)C#N	9437
+Clc1cc(I)cc(F)c1C#N	158
+COc1c(cc(Cl)c(I)c1)C(=O)O	158
+c1c(I)cc([N+]([O-])=O)c(C)c1	158
+COc1cc(c(F)cc1)-c2ccc(cc2I)C(=O)OC	158
+c1cc(Cl)c(Br)cc1I	158
+Oc1c(cccc1I)C(=O)C	158
+O(c1c(C)cccc1)CCCCCCCCI	1273
+O=Cc1cn(c2ccc(OC)cc12)CCCCCI	363
+c1cc(ccc1SCCCI)NS(=O)(=O)C	363
+C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O	572
+C(OC(COc1cccc(c1)CCCI)=O)C	572
+O=S(=O)(N(C)CCCC)CCCCCI	363
+O=S(=O)(Nc1c(OCc2ccccc2)ccc(C(O)CI)c1)C	1273
+CC(C)(n1ncc(c1)[N+]([O-])=O)CI	572
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CCCI)CC2)=O)=O	572
+O=S(=O)(N)c1cc(ccc1C(OC)=O)I	158
+O=S(=O)(N)c1ccc(Oc2ccc(cc2F)F)c(I)c1	158
+S(c1c(c(Cl)ccc1)I)C	158
+Ic1c2[nH]cnc2ncn1	9438
+c1(C)cc(nc(I)n1)-c2cc(OCC)ccc2F	2531
+c1cnc2c(cc(C=O)cc2)c1I	9439
+c1(cc(I)c(C=O)cc1Br)F	158
+c1(OC)cc(I)cc(-c2cc(F)ccc2)c1	158
+c1(c(Cl)cccc1[N+]([O-])=O)I	158
+c1(cc2c(cc1I)CCC2)C#N	158
+O(CC)C(C(C)c1cc(C)c(I)cc1)=O	158
+c1(cc([N+]([O-])=O)ccc1I)O	158
+c1(c(OC)c(c(c(OC)c1C)CC=C(CCCI)C)C)C	363
+c1(cccc(F)c1Oc2ccc(cc2)I)F	158
+c1(nncc2c(c(C)ccc12)I)O	3377
+c1cc2c(cc1I)C(C2)=O	158
+c1c(I)cc2c(OC(=O)N2C)c1	158
+c1c(Br)c(c(cc1CC(O)C(OC)=O)Br)Oc2cc(I)c(c(C(C)C)c2)OC	158
+c1c(cc(cc1[N+]([O-])=O)C(=O)O)I	158
+c1c(C)c(c(cc1I)C)-c2c(C)cncc2C	158
+c1cc(I)c([N+]([O-])=O)cc1I	158
+c1c(cc(c(c1)CC)I)Br	158
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CC2)CCCCI)=O)=O	363
+c1cc(ccc1)-n2c3c(cc(C#N)cc3I)nc2	9440
+c1ccccc1C(c2c(OC)c(c(c(c2C)OC)C)C)CCCI	4750
+c1cc(ccc1)C(c2c(NC(CI)=O)cn(C)c2C)=O	4806
+c1cc(ccc1-c2ccc(N)c(I)c2)Cl	1202
+c1cc(ccc1-c2cc(c(cc2)O)I)C#N	1202
+c1cc(ccc1OC)-c2cc3c(cc2)[nH]c(c3I)C(=O)OCC	9441
+c12ccnn1c(-c3ccc(c(I)c3)O)c4c(n2)CCC4	1202
+c1cc(ccc1-c2[nH]c3ncc(c(c3n2)I)Cl)C(OC)=O	9442
+c1cc(ccc1I)C=CCO	2766
+CC(C)c1ccc(cc1)I	158
+c1cc(ccc1C(OCC)=O)-c2cc(c(cc2)OCCCI)-c3ccc4C(C)(C)CCC(C)(C)c4c3	1273
+ICC(COCCCCCCCC)OCCCCCCCC	1319
+c1cc(ccc1)COC(N(CC)CCCI)=O	1319
+C(CI)COCc1c(cccc1)OC	1319
+c1cc(ccc1I)CC(C)NC(=O)C	2766
+c1cc(ccc1I)CCCCCCCC	158
+c1cc(ccc1CO)CCI	363
+c1cc(ccc1CN2C(=O)c3c(C=C2)c(ccc3)I)F	158
+c1cc(ccc1I)Oc2c(Cl)ccc(c2)F	158
+c1cc(ccc1Oc2c(ccc(F)c2)F)I	158
+c1cc(ccc1)-c2cc(c(cc2)O)I	1202
+c1cc(ccc1CI)OC	9443
+c1cc(ccc1NC=C2c3ccccc3NC2=O)OCCCI	363
+c1cc(ccc1OCOC)C2(COc3c(C2c4cc(ccc4)OCCCCI)ccc(OCOC)c3)C	363
+c1cc(ccc1OCc2ccccc2)CCCCI	572
+c1cc(ccc1S(=O)(=O)n2c(cc3c2nccc3)-c4cn(c5c4nc(OC)c(c5)OC)CCI)C	363
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCI)c(OC)cc45)C)C	363
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCCI)c(cc45)OC)C)C	363
+c1cc(ccc1SC(c2ccc(OC)c(c2)OC)(C#N)CCCCCI)C	363
+Nc1ncc(F)cc1I	9444
+c1ccccc1-c2cc(I)ccc2C(OC)=O	158
+c1cc(ccc1)-c2c(cc(I)cc2)OC	158
+c1ccccc1-c2ccc3OCCc3c2I	158
+c1ccccc1C(CCCI)=O	363
+c1ccccc1COc2cc(NC(=O)CI)ccc2OCc3ccccc3	4806
+c1ncc(-c2cc(Cl)c(I)cc2)nc1C	158
+c1(c(I)ncc(Br)c1)C	9445
+n1n(c2c(c1I)cc(cn2)[N+](=O)[O-])C	9446
+O1CCOC1CC2C(C)(C)C3(CC3C2)C	4320
+O=Cc1cc(cc2OCOc12)Br	9447
+O=S(=O)(C)N(C)c1cc2oc(c(c2cc1Br)C(=O)NC)C34C(CCC3)C4	9448
+n1c(Cl)cc(nc1I)Cl	1653
+c1cc(ccc1Cc2cc(Br)ccc2Cl)COC3CC3	9449
+c1cc(ccc1OC)Cn2c3c(nc2)c(nc(I)n3)Cl	1653
+c1cc(ccc1OC)Cn2cnc3c2nc(nc3-c4ccco4)I	1653
+n1cc(cnc1I)NC(c2cc(ccc2C)[N+]([O-])=O)=O	1653
+c1(F)c(C#N)nccc1I	916
+n1cc(I)c(O)c(C#N)c1	625
+c1(cccc(I)c1F)C#N	184
+N#Cc1cnc2c(cc(I)s2)c1Cl	2270
+C1c2c(cccc2F)NC(C(C1)I)=O	9450
+c1(C)c(N)cc(c(I)c1)F	184
+Nc1c(cc(I)cn1)C=O	625
+c1(ccc(-c2ccc(cc2C)C(=O)OC)cc1I)CC	1252
+c1(I)ccc(-c2cnn(C)c2)cc1[N+]([O-])=O	1252
+O1CCOC12CCC(CC2)N(c3cc(sc3C(=O)OC)I)C(=O)C4CCC(CC4)C	2270
+O=S(=O)(Nc1c2c(cccc2)c(O)c(c1)I)c3sccc3	3756
+c1cc(ccc1S(=O)(=O)n2c3c(cc2I)c4n(ncc4cn3)C)C	4807
+n1c(N)nc2c(c1O)ncn2C3C(O)C(C(CI)O3)O	343
+n1[nH]c(c2c([N+]([O-])=O)cccc12)I	538
+Ic1c(n[nH]c1)NC(=O)C	1419
+c1(c(N)c(I)nc(c1)C(OCC)=O)C	1463
+c1(C=O)cc2c([nH]nc2cc1)I	538
+Ic1c(O)cc(c(Cl)n1)Br	1463
+Clc1cc(c(I)c(Cl)c1)O	184
+c1(Cl)nccn2c(ncc12)I	9451
+n1[nH]c(c2cc([N+]([O-])=O)ccc12)I	538
+COc1cc(I)cc([N+]([O-])=O)c1N	184
+c1(I)c(n[nH]c1C)NC(=O)C	1419
+C(C1Sc2c(c(c(c(C)c2O1)C)OCOC)C)CCI	343
+n1[nH]c(c2c1cc(c(C)c2)[N+]([O-])=O)I	538
+Cc1c(c(O)nc(C)n1)I	2244
+Ic1c(c(Cl)nc(CO)c1)O	916
+c1(N2CC(OC2=O)Cn3cc(C)nn3)ccc(I)c(F)c1	184
+c1(c(c(O)nc(n1)CC)I)Cl	2244
+O=S(=O)(NC1Cc2c(ccc(c2)I)C1)C(C)C	184
+[nH]1cc(I)c2cc(C(=O)O)ccc12	4616
+COc1cc(c(cc1F)-c2cc3n[nH]c(c3cc2)I)CC	538
+n1[nH]c(c2ccc([N+]([O-])=O)cc12)I	538
+c12cccc(OC)c1occ2CCI	343
+Fc1cnc2ccccc2c1I	916
+c1c(Br)c(O)c(I)cc1C(=O)OCC	184
+c1c(C)cc(c(N)c1[N+]([O-])=O)I	184
+c1c(OC)ccc2c1n(CC)c(I)c2C#N	9452
+c1c(OC)ccc2c(CCI)coc12	343
+c1c(cc(cc1[N+]([O-])=O)C(=O)O)I	184
+n1cc(I)c(c2c3ccccc3cc(OCCC)c12)O	625
+Nc1c(F)cc(cc1I)Br	184
+c1c(cc2cc(c(Cl)nc2c1)I)Br	625
+c1cc2NC(CCc2cc1I)=O	184
+c1c(I)c(cc(CCc2cc3c(cccc3)cc2)c1)F	184
+c12ncc(I)c(c1cccc2)O	625
+c1cccc2n[nH]c(I)c12	538
+c1c(OC)ccc2c1nn(C)c2I	538
+Cc1ccc(C)n1-c2nn(c(I)c2)-c3ccccc3	538
+Cc1ccc(C)n1-c2nn(-c3ccc(cc3)F)c(I)c2	538
+c1cc(ccc1)C(c2ccccc2)(CCCI)CC#N	343
+c1cc(ccc1)CC(C)(N(C)C)C(c2ccc(cc2)NCCCI)=O	343
+CC(C)(CI)COCc1ccccc1	343
+c1cc(ccc1)COc2c(CCI)cc(F)c(F)c2	343
+c1cc(ccc1)N(C(=O)C2=C3c4sc(I)cc4C=CN3C(=O)C(=C2)c5ccc(cc5)OCc6ccccc6)CCOC	2270
+c1cc(ccc1)S(=O)(=O)n2c3nccc(c3cc2I)OC	4807
+c1cc(ccc1-c2c(c(NC(=O)C)n(CC(=O)OCC)n2)I)F	1419
+c1c(OC)c(I)cc(c1)-c2cnc(cc2C)C(=O)OC	184
+CC(C)(CC(OC)=O)c1cc(c(cc1)OC)I	184
+c1c(cc(I)c(C)c1)Br	184
+c1(N)ccc(CC(OCC)=O)cc1I	184
+c1(I)cc(CCC(OC)=O)ccc1F	184
+c1cc(ccc1CCCC)C#Cc2ccc(c(F)c2CCC)I	184
+c1cc(ccc1Cl)-c2ncc(nc2)I	9453
+c1cc(ccc1N2C(CI)Cc3c(OC)c(OC)cc4ncnc2c34)Cl	9454
+c1(N)ccc(CCC)cc1I	184
+c1cc(c(I)cc1CCCO)O	184
+c1cc(ccc1CC2=C(C(Oc3c(c(ccc23)O)I)=O)c4c(Cl)cc(Cl)cc4)OCCBr	184
+c1ccc(cc1CCC(OC)=O)CI	4706
+c12cc(I)ccc1[nH]c3c2cccc3	184
+c1cc(ccc1)-c2nn(c(NC(=O)C)c2I)CC(=O)OCC	1419
+c1ccccc1C(c2cc(I)c(O)cc2)=O	184
+c1ccccc1C2CCC(CC2)CI	343
+c1ccccc1CCCCCCI	343
+c1ccccc1CCOCCCI	343
+c1ccccc1CNc2nc(N)nc(C)c2I	2244
+C(CCN(CCCC)c1ccc(cc1)I)C	184
+c1cc(ccc1I)N2C(=O)OC(C2)COS(=O)(=O)C	184
+Nc1ncc(cc1I)C(=O)OC	625
+c12c(ccc(c1)F)nc(c(c2O)I)CC	625
+Cc1nn(cc1I)-c2cc(F)cnc2	1419
+c1c2c(ccc1O)ncc(I)c2	9455
+CC(C)(C)OCC(CO)(COC)C1CCCCC1	4045
+c1(cc(C)ccc1C(C)O)OC(CC=C)C	9456
+c12c3ccccc3[nH]c1SCCC2C(C)O	4808
+c1ccccc1OCCC(O)C	4808
+c1ccccc1[Si](c2ccccc2)(OC3CC(C3)C(=O)C)C(C)(C)C	9457
+c1(ncn(-c2nc(cc(-c3cc(c(cc3)Cl)Cl)n2)C)c1)I	937
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5cc(nc(C)c5c(n4)I)Cl	2271
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5c(c(n4)I)cnc(Cl)c5	2271
+c1(ncc(Br)c(c1)Nc2ccccc2C(NOC)=O)Cl	2272
+c1(N)cc(I)c(C)nc1	13
+Ic1c(CO)cc(Br)cn1	9458
+N(=[N+]=[N-])Cc1c(I)cc(F)nc1	2324
+c1cc(ccc1NC(=O)c2cc(I)c(Cl)nc2)OC(F)(F)Cl	246
+COc1c(-c2cc(ncc2F)Cl)ccc(c1)F	1164
+O=S(=O)(C)C(CCN1C=C(C(=CC1=O)I)F)(C)C(OCC)=O	9459
+c1c(c(C#Cc2cccc(N)c2)ccc1)NC(=O)N	129
+c1(c(C)nc(C)c([N+](=O)[O-])c1O)C#N	9460
+c1cc(ccc1)-c2cc([N+](=O)[O-])cnc2O	796
+Ic1c(ccnc1)C(=O)O	1
+c1cc(ccc1)C#Cc2c[nH]nc2NC(C)=O	1249
+c1ccccc1-c2c3c(nc(cc3)NC4c5c(CC4)cccc5)ccc2	9461
+Ic1c2c(cc(nc2n(C3CCCCO3)n1)Cl)C(=O)O	6
+c1c(-c2cc(ncc2NC)Cl)c(ccc1)Cl	1164
+c1nc(c([N+]([O-])=O)cc1I)NCc2ccc(OCc3ccc(nc3)OC)c(c2)OCC	70
+c1nc(c([N+]([O-])=O)cc1I)NCc2cc(c(OCc3ccc(nc3)OC)cc2)OC	70
+Ic1cc(ncc1)-n2nc(c3c2CCCC3)C(N)=O	247
+c12ncc(cc1NCCN2)I	15
+c1cc(ccc1)CN2C(=O)CNc3c2cc(cn3)I	9462
+c1ccccc1N2CCN3C2=NC=C(c4ccc(Oc5c6c(cc(I)s6)ncc5)c(F)c4)C3=O	680
+c1(cc(F)c(I)cc1)C(=O)N	216
+c1cccc(-c2cccnc2)c1OC	796
+c1cc(ccc1-c2sccc2)F	3082
+c1c(-c2c(C(OCC)=O)cn(c2)-c3ccnc(Cl)c3)c(ccc1)Cl	9463
+c1cc(ccc1C(=O)N2CCOCC2)-c3nn4c(cnc4cc3)C#Cc5cc(ncc5)Cl	4809
+c1cc(ccc1Cl)-c2ccnc(Cl)c2Br	1164
+c1c(I)ccnc1-n2c3cccc(F)c3c(C(=O)OC)n2	3275
+Ic1ccnc(O)c1C	2273
+c1cc(ccc1-n2ncc3c(ccnc23)I)F	4810
+O=S(=O)(C)C(CCN1C(=O)C(=C(C=C1)I)C)(C)C(OCC)=O	9464
+c1c([N+]([O-])=O)cccc1C#Cc2ccnc(SC)n2	4786
+FC(F)(COCc1ccccc1)Cn2cc(I)cn2	1593
+CC1(C)OC(CO1)Cn2cc(I)cn2	4811
+c1cc(ccc1)NC(N2Cc3c(cnn3CC2)I)=O	326
+c1nc(C)nc2n(nc(c12)I)Cc3c(F)cccc3	1485
+c1(OC)cc(cc(-c2c3c([nH]n2)ncnc3N)c1)F	920
+c1cc(ccc1-c2c3c(N)ncnc3[nH]n2)Oc4ccccc4	920
+c1ccccc1C2=NN(C(C=C2C(n3nc(I)c4c(N)ncnc34)C)=O)Cc5ccccc5	9465
+c1cc(ccc1-n2nc(I)c3c(N)ncnc23)[N+]([O-])=O	9466
+c1cc(ccc1Cl)-c2[nH]c(c(-c3ccc(cc3)Br)n2)-c4ccncc4	9467
+O=S(=O)(C)CC(C#N)(C)N	661
+O=C1C(NC(=O)N1)(c2cccc(Br)c2)c3cc(C)ccc3	9468
+c1cc(ccc1C#N)C2(CC3c4c(cccc4)Sc5ccccc35)C(NC(=O)N2)=O	3083
+c1cc(ccc1C#N)C2(COCC=C)C(=O)NC(N2)=O	3083
+c1cc(ccc1C2(C(=O)NC(=O)N2)C)Br	3083
+c1cc(ccc1Br)C2CCC3(NC(NC3=O)=O)C2	4812
+C1CC(CCN1Cc2ccccc2)(N)C#N	661
+c1cc(ccc1)COc2cc3CC4CCC(Cc3cc2)C4(C#N)N	661
+Nc1nc(C#N)c(nc1Cl)C#N	9469
+N1(CC(F)CC1C(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(=O)Cn4c5c(c(C(N)=O)n4)CCCC5	247
+Nc1c(Cl)ccc(C(=O)N)c1Cl	169
+c1(ccc(F)cc1N)C(=O)N	169
+Nc1c(cccc1Cl)C(=O)N	169
+Nc1c(nc(c(-c2ccncn2)c1)-c3occc3)N	664
+Nc1cccc(Cl)c1C(=O)N	169
+C(N)(=O)C1C(N)CCCC1	327
+C(N)(=O)c1c(OC(C)c2ccccc2Cl)cc(-c3cccnc3)s1	1355
+O(C)c1cc(cc(OC)c1)Nc2nc(Nc3ccccc3S(=O)(=O)C)c(cn2)C(=O)N	2757
+O(C)c1cc(cc(OC)c1C)C(N)=O	169
+C(CN1CCc2ccccc2C1)(CN)O	906
+c1(C(CC)C(N)=O)ccccc1I	83
+O=C(c1cc([N+]([O-])=O)c(c(c1F)F)N)O	623
+NC(c1cc(-c2ccccc2[N+]([O-])=O)[nH]c1C)=O	393
+C=1(C(=O)NC(C=1c2cc(ccc2)[N+]([O-])=O)=O)c3c4ccccc4n(C)c3	9470
+Cc1cc(F)c(C#N)c(Br)c1	1767
+c1(c(cccc1OC)C#N)[N+]([O-])=O	1767
+O=S(=O)(C(c1cnc(C(N)=O)cc1C)c2cc(F)ccc2F)c3ccc(cc3)F	247
+O=S(=O)(C)c1ccc(Oc2cc(OC)c3c(cc([nH]3)C(N)=O)c2)cn1	247
+O=S(=O)(C)c1ccc(cn1)Oc2cc(C)c3[nH]c(cc3c2)C(N)=O	247
+O=S(=O)(C)c1ccc(cn1)Oc2cc(OCC)c3[nH]c(C(N)=O)cc3c2	247
+c1(nccc(C=C2SC(NC2=O)=O)n1)N	1408
+c1(c(c(nc(N)n1)N)C#N)NC(C)c2nc3c(cc2-c4cscn4)n(cc3)C	1408
+n1n(c2c(cnc(N)n2)c1Br)C	1408
+O=S(=O)(CC)c1ccc(cc1)CN	1551
+O=S(=O)(CCC)Nc1c(F)c(c(cc1)F)NC(c2cccc3c(ncnc23)N)=O	266
+O=S(=O)(Cc1ccc2N(Cc3c4C(=CN(C(=O)c4[nH]c3C(N)=O)C)c2c1)c5ccc(cc5)Cl)C	247
+C1CCCC1CCS(=O)(=O)N	2565
+c1ccccc1CCS(=O)(=O)N	2565
+O=S(=O)(c1c(cccc1)C(=C)C)N	336
+O=S(=O)(c1cc([N+]([O-])=O)cc(c1F)C)N	336
+O=S(=O)(c1c(ccc(Cl)c1)OC)N	336
+O=S(=O)(c1cc(CCOC(C)=O)c(Br)c2cccc(c12)[N+](=O)[O-])N	336
+O=S(=O)(N)c1ccc(O)c(C(=O)O)c1	336
+O=S(=O)(c1ccc(c(c1)Cl)F)N	336
+O=S(=O)(c1cc(CC)ccc1Cl)N	336
+O=S(=O)(N)c1c(OS(=O)(=O)C)cccc1	336
+O=S(=O)(N(CC1COC(C)(C)O1)c2nc(Cl)nc(C(N)=O)c2)C	1134
+O=S(=O)(N(c1c2[nH]c(cc2ccc1)C(N)=O)C)c3cccs3	4813
+O=S(=O)(N)c1ccc(OC(C)C)c(c1)NC(=S)N	1099
+O=S(=O)(N1CCCc2ccccc12)c3cc(N4C(=O)Nc5cccc(C(=O)N)c5C4=O)c(Cl)cc3	169
+O=S(=O)(NCCCC(=O)N)C	728
+O=S(=O)(Nc1ccc(c(NC(=O)c2c3c(ccc2)c(ncn3)N)c1Cl)Cl)CCC	266
+c1cc(ccc1S(=O)(=O)N)C2CN(Cc3c2cc(cc3Cl)Cl)C	4814
+O=S(=O)(c1ccc(cc1)-c2c(-c3ccc(cc3)Cl)c(n4c2CCC4)C(OC)=O)N	4814
+C(Oc1c(cc(C2C=3C(CC(CC=3NC(=C2C#N)C)CCC)=O)cc1OCC)Br)CN	4782
+O=S(=O)(C)Oc1cccc(c1)C2(NC(N(C2=O)C)=N)c3cc(c(F)cc3)Br	9471
+O=S(=O)(N)c1c(C)ccc(C(O)=O)c1	336
+O=S(=O)(N)c1ccc(Br)cc1CC	336
+O=S(=O)(c1ccc(cc1F)F)N	336
+O=S(=O)(N)c1c(nc(s1)Cl)C	9472
+O=S(=O)(c1cc(-c2c(nc(NC(=O)NCC)s2)C)ccc1OC)N	336
+O=S(=O)(N)c1cc(c(CCOC)s1)C	3084
+O=S(=O)(N)c1sc(c(c1)C)CCOC(=O)C	3084
+O=S(=O)(c1cc([N+]([O-])=O)c(cc1)N)C	623
+c1cc(ccc1CCNc2cc(nc(n2)OC)-c3cccc(S(=O)(=O)N)c3)OC	336
+O=S(=O)(c1ccc2c(CCN2C(C)=O)c1)N	336
+O=S(=O)(CC)c1c(CN)cc(cc1)C#N	1551
+O=S(=O)(c1cc2c(CC(NC(=O)C)C2)cc1)N	336
+O=S(=O)(c1cc(N2C(Nc3c(C2=O)c(C(=O)N)sc3)=O)ccc1)N4c5ccccc5CCC4	767
+O=S(=O)(c1cccs1)N(c2ccc(C)c3cc([nH]c23)C(=O)N)C	247
+O=S(=O)(c1cnc(Oc2cc(OC(COC)COC)c3c(cc(C(N)=O)[nH]3)c2)cc1)C	247
+O=S(=O)(N)c1cc(C)c(-c2ccc(OC)nc2)s1	3084
+O=S1(=O)CCC(c2c[nH]c3c(cc(cc23)Br)C(N)=O)C1	393
+O=S1(=O)CCCC(c2c3cc(cc(C(N)=O)c3[nH]c2)Br)C1	393
+OC1C(O)CN(C1)c2cc(C(=O)N)nc(n2)Cl	1134
+c1(cc(cc(n1)O)O)C	4315
+c1cc(ccc1Br)-c2ncoc2	4815
+c1ccccc1COc2c(cccc2)-c3cocn3	4815
+Oc1c2c3c(n(Cc4c(cccc4)Cl)c2ccc1)cccc3C(=O)N	666
+Oc1c2c3c(n(c2ccc1)Cc4c5ccccc5ccc4)cccc3C(=O)N	666
+c1cc([N+]([O-])=O)cc(c1)-c2cc3c(cc2)ccn3-c4ccnc(n4)N	9473
+S(C)c1cc(ccc1C(=O)N)F	169
+NC(=S)NCCCCC	4816
+NC(NC(c1c(c2cc(C)ccc2n1CC(OC)=O)C)=O)=S	4817
+c1(Br)c2n(cc(n1)C(=O)N)cc(C)n2	2232
+O=C(N)c1cc(c2sccc2c1)O	169
+n1cc2ncc(cc2c(Br)c1)C(=O)N	393
+c1(cc(nc(N)n1)N)C	266
+c1(C)nc2c(NCc3c(C)cccc3CC)cc(cc2n1C)C(=O)N	169
+c1c(Cl)c(c(cc1SC)Cl)C(N)=O	169
+c1(Cl)ccnc(c1)C(=O)N	247
+Nc1n2c(ccn2)nc(Cl)c1	1994
+[N+](c1c(c(F)c(F)c(F)c1N)F)([O-])=O	623
+O=S(=O)(Nc1cc(F)cc(F)c1)c2cc(c(nc2)Cl)C(=O)N	393
+c1c(Oc2cccc3c2CNC3=O)c(Cl)cc([N+]([O-])=O)c1	4818
+c1([N+]([O-])=O)cccc(-c2nc(nc(c2C#N)N)SC)c1	266
+c1(nc(c(-c2ccncn2)cc1C#N)-c3occc3)N	664
+Nc1c(cc(c(F)c1)C#N)[N+]([O-])=O	623
+C(#N)c1c(N)c(ccc1F)F	623
+n1cc(Cl)c(cc1N)-c2nc(ccc2F)F	905
+Nc1c(C#N)c(Br)ccn1	1380
+NC(=O)c1cc(c(c(c1Cl)[N+](=O)[O-])Cl)F	1580
+O=C(N)c1c2c(c(C)c(C)[nH]2)c(cc1)Br	393
+C(Cc1c2cccnc2[nH]c1)N	2707
+C1N=C(c2cc(I)ccc2NC1=O)c3c(cccc3)Cl	9474
+c1(cc(OC)n(-c2c(cccc2)F)n1)C(=O)NC(c3ccccc3C)CC(N)=O	83
+NC(=O)c1cc(c(F)c(OCF)c1F)F	666
+c1(cc(cc(C)c1S(=O)(=O)N)NC(=O)C)C	336
+c1(cc(N)cc(O)c1C)C(=O)O	4819
+c1c(c(ccc1C(=O)OC)-n2cc(nc2)C)OC	9475
+c1c2cc([N+]([O-])=O)c(N)nc2ccc1OC	4820
+Cc1c2c(cc([N+]([O-])=O)c(n2)N)ccc1	4820
+N1C(=O)c2c(c(ccc2Br)[N+]([O-])=O)C1	4818
+c1(ccc(F)c(c1N)F)[N+]([O-])=O	623
+Nc1c(F)c(ccc1Cl)C(=O)N	169
+O=C(N)CC(O)(c1cc(c(cc1)Cl)Cl)CC	728
+c1(cccc(c1)CC(N)=O)Br	327
+c1(ccccc1F)-c2ccccc2CC(N)=O	83
+c1(CCC(=O)N)ccnc(c1)C=2Sc3c(cccc3)C(N=2)=O	83
+c1(cnc(NC(NCC)=O)cc1C(=O)N)Br	666
+C(C)OC(=O)c1c(N)c2cc(OC)ccc2nc1	1724
+c12ccccc1nc(n2-c3nc(nc(n3)N)C)Cl	1342
+c1(C)cc(nc(Cl)n1)C(=O)N	247
+c1(nc(Nc2c(nnc(Cl)c2)C(=O)N)cc(C)c1)C	314
+c1(c(c(nc(SC)n1)N)C#N)NC(C)c2nc3c(cc2-c4ccnn4C)n(cc3)C	266
+c1nc(ncc1)-c2nc(c(c(N)n2)Oc3c(cccc3)OC)Cl	266
+c1(ncnc(Cl)c1-c2nnn(C)n2)N	266
+Cc1ccc2oc(C(=O)N)cc2c1	2633
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4CC(CCC4C)C(=O)N	83
+n1cc2C(N)CCCc2c(Br)c1	3721
+c12CCCCc1nc(c(c2)[N+]([O-])=O)N	664
+c12[nH]c(cc1cc(Oc3cnc(cc3)COC)cc2OC)C(=O)N	4813
+c12c(Br)cccc1c(N)nc(Cl)n2	266
+C1CCc2c(ccc(OC)c2C1N)OC	474
+c12c(O)c(cnc1cc(c(OC)c2)F)C(=O)N	393
+c1(c(c(nc2ccccc12)Cl)[N+](=O)[O-])N	1724
+c12c3c(cccc3)nc(N)c1nc(CCC)n2CCC(NC)=O	461
+c1(n(Cc2cc(on2)-c3cccnc3)c4c5c(cccc5)nc(N)c4n1)CCC	461
+c12cc(n(c1c(cc(c2)F)Br)C)C(=O)N	247
+c12ccc(nc1ccc(c2)C(=O)N)C	666
+c12ccccc1nc(Cl)n2-c3ncnc(N)c3	266
+C1CCc2nc3c([n+]([O-])c4ccccc4c3n2OC1)N	574
+c1[nH]cc(C(=O)N)c1-c2c(c(Cl)ccc2)Cl	393
+c1c(Br)cc2CCC(N)Cc2c1	316
+c1c(Br)ccc2cc(C(=O)N)ccc12	169
+c1c(C)c(c(cc1)C)Oc2c(cc3nc(-n4cc(C(=O)OCC)cn4)nc(c3c2)N)F	266
+c1c(C)nn(c1C)CC(=O)C=C(C)N	3580
+c1(N)ncc(C=CC=Cc2sc3c(n2)cc(c(OC)c3)OC)cc1	1380
+c1c(Cl)c(c(cc1Cn2cc(nn2)C(N)=O)Cl)Cl	9476
+c1c(F)c(c(cc1)F)S(=O)(=O)Nc2cccc(-c3c(-c4ccnc(n4)N)sc(C5CCOC5)n3)c2F	911
+c1(cc(cc(F)c1C(N)=O)OC)F	1580
+c1c(F)c(c(cc1OCC)F)Cn2c3CCCc3c(n2)C(=N)N	9477
+c1c(c(cc(c1)NC(CC(N)=O)=O)F)OCc2cccc(F)c2	4821
+c1c(c(ccc1Br)F)C(Nc2nccnc2C(N)=O)=O	2232
+c1c(cc(C)c(c1)C(=O)N)Br	169
+c1c(cc(c(NC2=CC(=O)N(C)C=C2C(=O)N)c1)F)Br	9478
+c1c(cc2-c3nc(C(=O)N)sc3CCOc2c1)Br	9479
+C(C1Oc2c(CC1)cc(cc2)F)(O)CN	906
+c1c(cc2ccc(N)c([N+]([O-])=O)c2c1)Br	9480
+c1c(ccc(CCC(N)=O)c1F)F	83
+c1c(ncn1-c2ncnc(N)c2)C	266
+Oc1c2c(cc([N+]([O-])=O)cc2)nc(n1)Cc3ccc(c(Cl)c3)Cl	4046
+c1c2CCC(C(N)=O)Oc2c3ccccc3c1	728
+c1c2ccc(-c3c(Cl)cc(cc3)C(=O)N)nc2ccc1O	169
+NC(Nc1cc(ccc1OC)Br)=S	1099
+c1cc(c(cc1F)C(=O)N)[N+]([O-])=O	169
+c1ccccc1-c2c(NC(N)=S)ccc(C)c2	1099
+c1cc(ccc1)-c2oc(C3=CCCC3Cc4cccc(c4)C(N)=O)nc2-c5ccccc5	169
+c1cc(ccc1)C=2C(C(=O)N(c3nc4ccc(cc4s3)Cl)N=2)=CN	2876
+c1cc(ccc1)CC(O)CN	906
+c1cc(ccc1)CN(CC(C)(C)COC(=O)C=C(C)N)C	9481
+c1cc(ccc1)CN2CC(C(N)=O)CC2=O	327
+c1cc(ccc1)C(CC(=O)N)NC(=O)C(C(O)C(O)C(CO)NC(=O)C(CC(C)C)NC(OCc2ccccc2)=O)O	83
+c1cc(ccc1)COC(N2CCC(CC2)n3c4c(cc3)ccc(C(=O)N)c4)=O	169
+c1cc(ccc1)COCC2n3c4c5ccccc5[n+](c(N)c4nc3COC2)[O-]	574
+c1cc(ccc1)CON2C(=O)N3C(C(N)=O)CCC2C3	83
+c1cc(ccc1)COc2cc(ccc2Cc3ccc(cc3)CC)CC(=O)N	83
+c1cc(ccc1CC(CCC(N)=O)NC(=O)CCCCCCc2ccccc2)OCc3ccccc3	83
+c1cc(ccc1)Cc2cc(C(N)=O)ccc2	169
+c1cc(ccc1)Cc2ccc(nc2)C(N)=O	314
+c1cc(ccc1)Cn2c3cccc(C(N)=O)c3c4c(c5CCCCc5cc24)O	666
+c1cc(ccc1)Cn2cnc(C(=O)c3c(nccc3)N)c2	905
+c1cc(ccc1)Cn2c(C)cc(C(N)=O)n2	314
+Cc1nc(c2c(n(c(C)n2)CCOCCCc3cnccc3)c1C)N	3085
+c1cc(ccc1)S(=O)(=O)CCCc2n(CCCC)nc(C(N)=O)c2	247
+c1cc(ccc1-c2cc3c(cc2)[nH]cc3C#N)Br	4537
+c1cc(ccc1-c2ccccc2C#N)CC3=C(n4ncnc4N(C3=O)CC(=O)N)CCC	83
+c1cc(ccc1-c2cccnc2)-c3oc4c(n3)cccc4C(=O)N	2692
+c1cc(ccc1-c2c3c(cnc2)ccc(c3)C(=O)N)Cl	169
+c1cc(ccc1C(N)=O)-c2cnco2	169
+c1cc(ccc1C(N)=O)-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C	169
+c1cc(ccc1N)-n2c(cc3nc(c(C#N)c(O)c23)O)Cl	9482
+c1cc(ccc1-n2c3c(cnc(NC4CCC(C4)C(=O)N)n3)nn2)OCCOC	1360
+C1CCCC1(CC(=N)N)c2ccc(cc2)Br	4822
+c1cc(ccc1CC(C)N)Br	316
+c1cc(ccc1Br)N2C(=O)c3c(N)nc(C)nc3OCC2	266
+c1cc(ccc1Br)OCc2c3c(sc2)c(C(OCC)=O)cnc3N	1871
+c1cc(ccc1Br)S(=O)(=O)c2cnc(N)cc2	664
+c1cc(ccc1C2C=3NC(=O)NC(=O)C=3COC2)C#N	4823
+c1cc(ccc1OCC(C)N)C#N	316
+c1cc(ccc1OCCC(O)CN)C#N	906
+c1cc(ccc1C(=O)C)S(=O)(=O)N	336
+c1cc(ccc1C(=O)NS(=O)(=O)c2ccc(N)c([N+]([O-])=O)c2)-c3ccc(cc3)F	4651
+c1cc(ccc1C(N)=O)-c2cc(-c3cc(ccc3)[N+]([O-])=O)c(OC)cc2	9483
+c1cc(ccc1C(=O)C)C(=O)N	169
+c1cc(ccc1C(N2CCOCC2)=O)Nc3nc(Cl)ccc3C(=O)N	393
+c1cc(ccc1C(N)=O)-c2nnc(n2C)OC(C)c3nc(on3)-c4cccc(c4)Cl	666
+c1cc(ccc1F)C(=O)c2c(nccc2)N	905
+c1cc(ccc1C(c2cc(OC)c(OC)cc2)=O)C(NCCOc3cccc(C(=N)N)c3)=O	4824
+c1cc(ccc1C2CCC=3C(=O)NC(=O)NC2=3)F	4823
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(c3cccc(c3)Cl)CC(CC(N)=O)(C)C1=O	83
+c1cc(ccc1C2N(CCC2)c3ccnc(c3)N)F	664
+c1cc(ccc1C=2N(C(c3cnn(-c4cc(ccc4)C(=N)N)c3N=2)=O)c5ccc(cc5)Cl)-c6cnc(cc6)N	4824
+c1cc(ccc1C=CC(=O)N)OC(F)F	2045
+c1cc(ccc1CC2(C(C)(C)CN(CC2)CCCOc3ccc(Cl)cc3C(N)=O)O)Cl	666
+C1CC(CCC1C(N)=O)N2C(=O)C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)n5ncnc25	83
+c1cc(ccc1CCC(=O)N)N	327
+c1cc(ccc1COc2c(cc(Br)cc2)CN3CCC(CC3)(CN)O)Cl	906
+c1cc(ccc1COc2cc(ccc2)OCc3c4c(ncc(c4sc3)C(=O)OCC)N)Cl	1871
+c1cc(ccc1Cl)Cc2c(C#N)c(-c3ccnc(c3)NC(=O)C)sc2C(=O)N	767
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4c(c(ncn4)NC5CCN(CC5)Cc6cc(ccc6)C(N)=O)c3	169
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4ncnc(NC5CCN(CC5)c6ccc(cc6)CC(=O)N)c4c3	83
+c1cc(ccc1NC(Nc2ncccc2OCc3c(Cl)cccc3)=N)Cl	3051
+c1cc(ccc1Cl)SC2CN(C2)C(N)=O	9484
+c1cc(ccc1Cn2c3ccc(F)cc3c(c2CCC(=O)N)C)-n4cncc4	83
+c1cc(ccc1Cn2c3ccc(OC)cc3c(CC(C)CC(N)=O)c2C)Br	83
+c1cc(ccc1Cn2c3c(c(C(=N)N)n2)cccc3)OC	9485
+c1cc(ccc1Cn2c3ccccc3nc2CC4CCN(CC4)CCNC(=S)N)F	4816
+c1cc(ccc1F)-c2cc(Cn3c(nc4c(nc5ccccc5c34)N)CCC)on2	3379
+c1cc(ccc1F)-c2nc3n(c2)c(c(s3)C(N)=O)C	1169
+c1cc(ccc1F)-c2csc3ncnc(CCCCOc4cncc(C(N)=O)c4)c23	2682
+c1cc(ccc1F)-c2c(cnn2C3CCCCC3)C(N)=O	1356
+c1cc(ccc1F)COCC2n3c4c5ccccc5[n+](c(N)c4nc3COC2)[O-]	574
+c1cc(ccc1F)Oc2ccc(cc2)-c3nc(NC(C(=O)N)C)cc(Cl)c3	327
+c1cc(ccc1N2CCN(CC2)c3nc(-c4ccccc4)c(C(=O)N)s3)OC	4130
+c1cc(ccc1-c2noc(C(N)=O)c2)O	2633
+c1cc(ccc1O)-c2nc(C(=O)N)cs2	9486
+c1cc(ccc1O)C(c2ccc(cc2)O)=C(CC)c3ccc(cc3)OCC(=O)N	83
+c1cc(ccc1Br)OC(C)C(=O)N	83
+c1cc(ccc1N(C(=O)CN)C(C)C)OC	9487
+c1cc(ccc1S(=O)(=O)N)OC	336
+c1cc(ccc1OCC(C)N)OCC=C(C)C	316
+c1cc(ccc1OCC2CCN(CC2)C(=O)C=Cc3cnc4c(c3)CC(C(=O)N)C(=O)N4)F	4821
+c1cc(ccc1OCCOc2cc3CCCCc3cc2)CC(C(=O)OC)C(N)=O	9488
+c1cc(ccc1OCc2cccc(F)c2)N3CC(C(=O)N)CC3=O	83
+c1ccccc1COc2ccc(cc2)C(N)=O	169
+c1cc(ccc1Oc2ncnc(N)c2)[N+]([O-])=O	266
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(c2)cc(C(N)=O)[nH]3	247
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(cc([nH]3)C=4SC(CN=4)CC(=O)N)c2	83
+c1cc(ccc1F)C2CCC(C(=O)N)N2S(=O)(=O)c3ccc(cc3)C	327
+c1cc(ccc1CCC(=O)N)[N+]([O-])=O	2168
+c1cc(ccc1[N+]([O-])=O)COC(=O)N2C(CC(OS(=O)(=O)C)C2)COCC(N)=O	83
+c1cc(ccn1)-c2cc(N)c(s2)C(=O)N	767
+c1cc(ccn1)-c2sc(c(NCC)c2)C(=O)N	767
+c1cc(ccn1)-c2cc(c(s2)C(=O)N)NCCCC	767
+c1cc(nc(Cl)c1OCOC)C(=O)N	247
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(C)c(C(N)=O)n(C)n3)c1N4N=NN(C4=O)C	1612
+c1(Nc2nc(OCC)ccc2)c(nnc(Cl)c1)C(=O)N	314
+c1cccc(c1OCCC)-c2nc(cc(n2)C(N)=O)O	314
+c1cc(ccc1)-c2c3c4c(C(CC3)N)cccc4[nH]2	474
+c1ccccc1-c2nn(CC(=O)N)c3C(=O)N(c4ccc(cc4)Cl)C(=Nc23)c5ccc(cc5)C(C)C	83
+c1c(C)c(c(cc1CCC(=O)c2sc(c(-c3ccccc3)c2)C)C)OCC(O)CN	906
+c1cc(ccc1C#N)-c2nc3c(cc2-c4ccccc4)c5nnc(CO)n5cc3	1767
+c1cc(ccc1)-c2cccc(CN)c2	9489
+c1ccccc1-c2nc3c(ccc(-c4c5c(nccn5c(n4)C)N)c3)cc2	522
+c1cc(ccc1)-n2c3c(ccc(C#N)c3)nc2	1767
+c1ccccc1-n2c3ncnc(N)c3c(I)c2	869
+c1ccccc1C(Nc2ccc(C#N)c(Br)c2)C(=O)N	83
+c1ccccc1-c2nc(C3CCCCC3Cc4cccc(c4)OC)oc2-c5ccccc5	9490
+c1cc(ccc1)C(N)CNC(C2CC(CCC2C(C)C)C)=O	474
+c1ccccc1C(Nc2ccc(c(OCc3c4c(N)ncc(C(OCC)=O)c4sc3)c2)C)=O	1871
+c1cc(ccc1)C2(c3ccccc3)C=Cc4c(n[nH]c4C2)C(N)=O	247
+c1ccccc1C2=CCN(CCCC(=N)N)CC2	4822
+c1ccccc1C2CC3(c4c(ccc(c4)Br)O2)N=C(N)N(C)C3=O	9491
+c1ccccc1C2N3C(=O)N(C(=O)C3(C)Cc4c2[nH]c5ccc(OC)cc45)CCCN	2707
+c1ccccc1C=2CCN(CCCCN(C(OCC)=O)c3c(C(=O)N)ccc(c3)[N+]([O-])=O)CC=2	169
+c1ccccc1CCN2C3CC(CC2CC3)=C(c4ccc(cc4)C(=O)N)c5ccccc5	1580
+c1ccccc1CN(Cc2ccccc2)C3COC(C(N)=O)CC3	83
+c1ccccc1CN2C(=O)N(CC2)c3sc(C(N)=O)c(C)n3	1169
+c1cc(ccc1)CN2CC(O)(CC2)CN	906
+CCC1(CC)C(CCN(Cc2ccccc2)C1)N	316
+c1ccccc1COC(N2CCCC2c3nc(Br)c4n3ccnc4N)=O	522
+c1ccccc1COC(NC(Cn2c3c(ccc4oc(C(N)=O)cc34)cn2)C)=O	9492
+c1ccccc1COC(NC2C(=O)N3N(CCCC3c4nc(-c5ccc(cc5)Br)c[nH]4)C(=O)CC2)=O	4165
+c1ccccc1COC(Nc2cccc(c2C)-c3c4c([nH]c5cc(OCCOC)ccc45)c(nc3)C(=O)N)=O	2268
+c1ccccc1-c2c(-c3c[nH]c(COCc4ccccc4)n3)c(C)on2	9493
+c1ccccc1COc2ccc(c(c2OC)[N+](=O)[O-])C#N	1767
+c1ccccc1COc2c(cc(cc2)CC(N)=O)C	83
+c1ccccc1COc2c(cccc2CC(CSCCC(N)=O)O)C3CCCC3	327
+c1ccccc1COc2cc(cc3[nH]c(C(=O)N)cc23)C	314
+c1ccccc1COc2cc(ccc2)-c3nc(n4ccnc(N)c34)C5CC(C5)CO	522
+c1ccccc1COc2ccc(Cl)cc2Cn3c(C)cc(C(N)=O)n3	247
+CC(C)(Cn1c(COCC)nc2c([n+]([O-])c3cc(ccc3c12)OCc4ccccc4)N)NS(=O)(=O)C	574
+c1ccccc1COc2ccc3c(n(-c4sc(c(n4)-c5cc(ccc5)Cl)C(N)=O)cn3)c2	1169
+c1ccccc1COc2c(c(ncc2)N)[N+]([O-])=O	905
+c1ccccc1Cn2c3ccc(cc3c4c(cc(-c5c(C)noc5C)cc24)C(N)=O)OC	169
+c1cc(ccc1)Cn2c3cccc(C(N)=O)c3c4c(O)cccc24	666
+c1ccccc1N2C(=O)c3c(C=C2C(Nc4c(cnc(n4)N)I)C)cccc3-c5cn(nc5)C	911
+c1ccccc1OCC2OCCN(S(=O)(=O)c3c(C(=O)N)[nH]c4c(N)cc(Cl)cc34)C2	314
+c1ccccc1Oc2c(NS(=O)(=O)C)cc3OC(C(N)=O)=CC(c3c2)=O	9494
+c1ccccc1Oc2cc3c(N)c(C(=O)OCC)cnc3cc2	1724
+c1ccccc1SCCCCCn2c(nc3c(N)nc(C)c(C)c23)C	3085
+c1cc(ccc1)C#CCOCCn2c(C)nc3c(N)nc(c(c23)C)C	3085
+c1ccccc1Sc2c(C(=O)N)cccc2	1580
+c1cccn1-c2cc(c(Cl)cc2)C(N)=O	169
+c1n(c2c(c(ncn2)N)n1)C3CC(C=C3)CO	1095
+c1c(-c2cn(-c3ccnc(Cl)c3)cc2C(N)=O)c(ccc1)Cl	393
+c1nc(c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C)C(=O)N	2268
+c1nc(C(=O)N)c2n1-c3ccc(cc3C(N4C2CC4)=O)F	2268
+c1nc(ncc1)-c2c(N)nccc2	905
+c1ncncc1-c2cc(OCc3cccc(N)n3)nc4CCCCc24	905
+c1ncncc1Cn2nc(c3cc(cnc23)F)-c4nc5c(nn4)C(C)(C)C(=O)N5	9495
+Clc1ccc(c(Cl)c1)C=2NC(=O)c3cc(nn3C=2)C(=O)OCC	4270
+c1(c2ccc(cc2n(CC)c1)C(=O)OC)C(=O)N	393
+n1(c(c(C(=O)N)cn1)-c2ccc(-c3c(C)cnc(OC)c3C)cc2F)C4COCC4	1356
+C(CCCCC(NC)=O)CCCCCCn1c(nc2c(N)nc3ccccc3c12)CCC	461
+C(C)(O)C#Cc1nc(c2c(n1)n(cn2)C)N	1095
+O(c1c(ncc(N)n1)C(=O)N)C	2232
+c1cc(ccc1-c2c(Cl)ncnc2N)C	266
+c1(ncnc(Cl)c1-c2noc(n2)C)N	266
+Nc1c(ncnc1N)Cl	266
+Nc1c(nc(nc1Cl)C)N	266
+c1ccccc1CSc2nc(c(c(N)n2)[N+]([O-])=O)Cl	266
+c1(Cl)nc(c2ccccc2n1)N	266
+O(n1nnc2c1cccc2)c3nc(NC(c4ccc(F)cn4)C)c(C(=O)N)cn3	1906
+O(n1nnc2c1cccc2)c3nc(Nc4cccc5c4ccn5C)c(cn3)C(=O)N	1906
+c1nc(ncc1-c2ccc(cc2)F)N	911
+n1ccnn1-c2c(C(N3CC(C(N)=O)CCC3C)=O)cccc2	83
+o1c(Br)ccc1-c2nc(-n3nccc3)cc(n2)N	266
+s1c(C)ccc1C(=O)N	767
+s1c(ccc1C(=O)C)CC(N)=O	327
+c1(sc(c(c1Br)C#N)Br)C(=O)N	767
+C(CC1CN(C(=O)C)c2cc(C)cc(C)c12)C#N	830
+Cc1ccc(c(F)c1)C#N	1879
+Nc1c(cc(cc1[N+]([O-])=O)F)C#N	160
+Nc1ncc(C#N)c(Cl)c1	2189
+Nc1ncc(C#N)c(F)c1	2189
+O(C)C(OC)CN(C1CCCCC1)C(CCOCCc2cccc(C#N)c2)=O	160
+O(CC)C(C(C)c1cc(C)c(cc1)C#N)=O	1013
+O(CC)C(C(C)c1ccc(nc1)C#N)=O	577
+O1CCOC12CCC(CC2)(c3ccc(nc3)C#N)O	9496
+O1c2c(OC1)c(Cl)cc(CC#N)c2	177
+O1c2cc(CC#N)cc(F)c2OC1	177
+c1c(cc2CCC(c2c1)(C#N)CC#N)F	9497
+C(OC)(=O)NC1(C(CC#N)C1)c2cc([N+]([O-])=O)ccc2	300
+C1CC(CCC1CC#N)Nc2c([N+]([O-])=O)cnc3ccsc23	300
+c1cc(ccc1)COc2c(c(ccc2)C(OCC)=O)CCCC#N	300
+N#CCc1ccnc(Br)c1	1686
+O=S(=O)(C)c1cccc(c1)-c2ccc(s2)-c3n(nc(CC#N)c3)-c4ccccc4Cl	1461
+C1CC(CCC1)CC(=O)Nc2c(ccc3c2ccc(N4CCC(C#N)C4)n3)Cl	4444
+c1(NC(C)=O)c(c(CC#N)c(Cl)cc1)F	1686
+c1cccc(-c2ccc(CC#N)c(C)c2)c1Cl	1686
+O=S(=O)(c1c(c(Cl)ccc1)Cl)Nc2c(nc(cn2)C#N)OCc3cnccc3	9498
+O=S(=O)(c1cc(ccc1)C#N)c2cnc(C=Cc3ccc(cc3F)F)cc2	160
+O=S(=O)(c1cccc(-c2c3c4cc(cnc4[nH]c3c(C#N)nc2)C)c1)CC	4092
+O=S(=O)(Cc1ccc(C#N)c(OC)c1C(=O)O)c2ccccc2	160
+O=S1(=O)c2c(C(c3ccccc3)NC(CC)(C1)CCCC)cc(c(CCCC#N)c2)OC	300
+c1cc(OC)cc(OC)c1C(CCCCC)CC#N	2771
+C(CC1Oc2c3ccc(O)nc3c(C)cc2C1)C#N	913
+C(C#N)c1cc(C)c(SC)cc1F	177
+[N+](c1cc(CC#N)cc(Br)c1)([O-])=O	163
+Cc1cc(ccc1C#N)C(=O)C	9499
+C(C#N)c1c2c(ccc1C)cccc2	177
+c1(C)cccc(C)c1CNc2cccn3c(C)c(CC#N)nc23	9500
+N#CCc1c(C)nccc1	1716
+N#Cc1cc(CO)c(Cl)s1	9501
+c1c(Cl)c(c(cc1CC#N)Cl)Oc2cc3c(C(C)C)c[nH]c3cc2	163
+C(C#N)c1c(cc2OCOc2c1)F	177
+c12c(c(ccc1)O)cc(c(C#N)c2)F	160
+c1(OC)cc(CC#N)cc(Br)c1	163
+c1(c(-c2ccc(s2)Cl)nn(c1)C(C)CC)-c3cc(C#N)ncc3	577
+c1ccc(c(OC)c1CC#N)Oc2c(F)cccc2	163
+c1(c(F)c(c(c(OC)c1)F)N2Cc3cnc(cc3C4(CC4)C2=O)C#N)OC	577
+c1(c(F)ccc(CC#N)c1)[N+]([O-])=O	163
+C(C#N)CCC(=CCc1c(OC)c(c(c(OC)c1C)C)C)C	1409
+c1(c(CCCC#N)cc(c2ccccc12)OC)OC	1409
+c1(c2c(c(ccc2)C#N)cc(Cl)n1)O	160
+c1(cc(F)ccc1)-c2cc(nc(n2)C)C#N	2266
+c1(OC)cc(cc(OC)c1OC)CC#N	177
+c1(cc(CC#N)cc2c1OCO2)OC	177
+c1cc(CC#N)cc2c1OCCO2	177
+c1(cc2sc(C#N)nc2cc1)NCCCC	9502
+C(C#N)c1ccc(C)c(C)c1	177
+c1c(CC#N)cnc(C)c1	1716
+c1(ccccc1Cl)Oc2ccc(c(CC#N)c2)OC	177
+c1(c2CCCC(c2ccc1)=O)C#N	160
+c12N(C3CN(CCC3C)c4ccnc(n4)C#N)C(Nc1cnc5[nH]ccc25)=O	738
+n1c(c2ccc(cc2cn1)-c3c(C)ccc(c3)C(=O)OC)C#N	2660
+c12c(cccc1)cc(c(c2)C)CC#N	163
+n1cc2c(cc[nH]2)c(C#N)c1	9503
+C(=C1c2cccc([N+]([O-])=O)c2C=C[N+]1=O)=[N-]	9504
+c1c(C#N)ccc2C(N(C3(C)CCC(=O)NC3=O)Cc12)=O	160
+c1c(C#N)ccc2C(N(C3CCC(=O)NC3=O)Cc12)=O	160
+c1c(C)oc(c1)CNc2ccc3c(cccc3C#N)n2	9505
+C(c1cccc2ccc(OC)cc12)C#N	177
+Clc1cc(cc(Cl)c1CC#N)Cl	177
+c1(Cl)cc(cc(Cl)c1)CC#N	177
+c1c(nc2c(C(CCC2)=O)c1)C#N	577
+c1c(F)c(c(cc1OC)F)CC#N	163
+c1c(OC)c(Cl)ccc1CC#N	163
+C(C#N)c1cccc([N+]([O-])=O)c1C	177
+c1c(c(C2(O)C(=O)Nc3ccc(cc23)C#N)ccc1)OC	1013
+C(C#N)c1cccc(Cl)c1C	177
+C(C#N)c1cccc(c1F)OC	177
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5c(ccc(C#N)c5)-c4n3)c1F)F	160
+c1(CC#N)ccc2C(Cc3c(Sc2c1)cccc3)=O	163
+c1c2c(nc(-c3cc(c(CC#N)cc3)-c4cc(ccc4)C#N)o2)ccc1	163
+FC(F)(C(F)F)Oc1cc(ccc1)Nc2nccc(C3=CC(=C=[N-])[N+](C=C3)=O)n2	9506
+c1cc(ncc1Br)CC#N	1461
+C(C#N)c1ccc(cc1C)F	177
+C(C#N)c1ccc(Cl)nc1Cl	1716
+c1cc(CO)cc(c1OC)C#N	160
+c1cc(Cl)c(cc1CC#N)C(=O)O	163
+c1cc(cc(CC2COC(=O)N2CCC)c1OC)C#N	160
+c1cc(C#N)cc(C)c1OC(C)=O	160
+c1cc(CCC#N)cc2CC(Nc12)=O	913
+c1cc(ccc1)-c2c(CN)c(CC(C)C)nc3ccc(cc23)C#N	160
+c1cc(ccc1)-c2c3ccc(cc3no2)CC#N	163
+c1cc(ccc1)-c2onc3c2cccc3CC#N	1689
+c1ccccc1C(c2cc(ccc2)OC)CCC#N	830
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)C(c4cc(cc(F)c4)C#N)C(C)(C)F	160
+c1cc(ccc1)NC2(CCN(CC2)Cc3ccccc3)C#N	1621
+c1cc(ccc1)CN2c3c(c(nc(CC#N)n3)N)NC2=O	9507
+c1cc(ccc1)COC(=O)N2CC(OCC2)CCC#N	913
+c1cc(ccc1C2(c3ccc(cc3)F)CCC(CC2)N4CCC(CC4)(C#N)Nc5ccccc5)F	1621
+c1cc(ccc1)S(=O)(=O)c2cccc3cc([nH]c23)C(=O)Nc4c(-c5nnn[nH]5)cc(C#N)cc4	1013
+c1cc(ccc1-c2c(cc(C(=O)c3occc3)s2)CC#N)F	9508
+c1cc(ccc1-c2cncnc2C#N)C	2266
+c1cc(ccc1C#N)-c2nc(N3C(COC3=O)CF)sc2	160
+c1cc(ccc1-c2nc(c3cccc(C#N)c3c2)O)CN4CCN(CC4)C	160
+c1cc(ccc1C#N)-n2nc(c(C=O)c2C)C	160
+c1cc(ccc1C#N)C2CC3(C(N(C(N3)=O)C)=O)CC2	160
+c1cc(ccc1Br)CCc2c(CC#N)cccc2	163
+c1cc(ccc1CC=C(C)C)C(C)C#N	3583
+c1cc(ccc1C(=O)c2cc(CC#N)ccc2)Cl	163
+c1cc(ccc1C)S(=O)(=O)N2c3c(C(CCC2)CC#N)cccc3	1409
+CC1(CCC(CC1CCC#N)OC(=O)C)C2CCC3(C)C(CCC3C2OC(C)=O)=C	677
+c1c(cc(CCCC#N)c(F)c1)Br	677
+c1cc(ccc1C(=O)c2cccs2)CC#N	163
+c1cc(ccc1CC(C(C)O)c2cccc(C#N)c2)Cl	160
+c1cc(ccc1CC#N)Sc2c(O)nc(nc2C)N	177
+c1cc(ccc1CN2C(=O)N(N=C(OC)C2=O)c3c(CC#N)cccc3)Cl	163
+c1cc(ccc1CC#N)Cc2c(C)nc(N)nc2NCCCCC	177
+c1cc(ccc1Cc2c(OCc3ccccc3)cccc2)CC#N	177
+c1cc(ccc1Cl)-n2c(-c3c(ccc(C#N)c3F)F)c(nc2)Cl	160
+c1ccccc1Oc2cc(ccc2F)C(OC(=O)C3C(C=C(c4ccc(cc4)Cl)Br)C3(C)C)C#N	9509
+c1cc(ccc1Cl)Cn2c(nc3nc(C#N)nc(NC(C)C4CC4)c23)-c5c(ccc(C)c5)OCCC=C	738
+c1cc(ccc1Cl)N2c3c(N=C(C#N)C2=O)cccc3	9510
+c1cc(ccc1C#N)Oc2ncc(cc2)C	4741
+c1cc(ccc1F)-c2ccc(cc2)C(=O)NC3CCc4c(C3)ccc(C#N)c4	160
+O=S(=O)(c1ccccc1)n2c3ccccc3c(-c4nc(ncc4C#N)NC5CN(CC5)C(c6ccc(cc6)N)=O)c2	9511
+c1cc(ccc1N2CCN(CC2)C)Nc3nc(c(CC)nc3C(=O)N)Oc4cc(C#N)cc(c4)[N+](=O)[O-]	160
+c1cc(ccc1OCCc2ncc(CC#N)cc2)[N+]([O-])=O	1716
+c1cc(ccc1Oc2ccc(cc2CC#N)C)C	177
+c1ccccc1COCC2C(CC=CC2)CC#N	677
+N#CCC1Cc2c(cccc2)OC1	677
+c12ccccc1OC(CC2)CCC#N	677
+O1c2c(cccc2)CC1CCC#N	677
+c1c2NC(CCc2cc(C#N)c1)=O	1013
+c1cc2c(cc(cn2)C#N)cc1CO	1684
+c1cccc2c1c(c3ccccc3c2C=O)C#N	160
+c1cc2ccc(nc2c(c1F)CC#N)OC	1689
+c1ccc(nc1-c2cccc(n2)C(OC)=O)C#N	1704
+C(C#N)c1cccc(OCCOC)c1OC	177
+c1ccccc1-c2n(c(nc2-c3ccccc3)-c4ccccc4)CCCCCCCC#N	830
+c1ccccc1-c2onc3ccc(cc23)CC#N	163
+c1ccccc1-c2ccc(-c3nnc(N(CCOC)C)n3-c4ccccc4C#N)cn2	160
+c1ccccc1-n2nc(CC#N)c(c2)C	1461
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CC#N	163
+c1ccccc1C(CCCC#N)c2c(C)c(c(c(C)c2OC)C)OC	1409
+c1cc(ccc1)C2C(CC#N)CC(=O)N2C	677
+c1ccccc1C=2N(CC(NC(C(C#N)O)Cc3ccccc3)=O)C(=O)C(C(C)C)N(C(C)=O)C=2	2069
+c1ccccc1CCCCCCC(O)C#N	2069
+c1ccccc1COc2cc(CC#N)cc(c2OC)F	177
+c1ccccc1COc2c3n(CCOC)c(nc3cc(C#N)c2)C	2627
+c1ccccc1COc2c(OC)c(cc(c2)F)CC#N	177
+c1ccccc1COc2ccc(CC#N)cc2[N+]([O-])=O	177
+c1ccccc1COc2ccc(cc2)N(c3ccc(cc3)C(CC#N)C)C	300
+c1ccccc1COc2ccc(cc2)N3C(=O)CC(CC#N)C3	913
+c1ccccc1COc2cc3c(C#N)nc(C(=O)OCC)c(c3cc2)O	1704
+c1ccccc1N2C(=O)c3c(C=C2C(C)Nc4nc(ncc4C#N)N)cccc3-c5cn(nc5)C	9512
+c1ccccc1Sc2ccc(Br)cc2CC#N	177
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCc3cc(CC#N)ccc3	177
+c1nc(ncc1)-c2cc(CC#N)ccc2	163
+c1nc2Nc3cc(CC#N)ccc3Sc2nc1	177
+n1(ncc2cc(C#N)c(C)cc12)CCCC(OCC)=O	160
+c12c(nc(nc1c(NC)nc(n2)C#N)NCCC)NC	9513
+c1nc(ncc1Br)C#N	738
+c1(cccc(F)c1C(COc2c(nccc2)Br)N)F	4825
+c1(c(cc(cc1C(C)N)Cl)OC)OC	4825
+c1(oc(nn1)-c2ccc(C)cc2C)N	3086
+Nc1nc2c(cc(C)c(c2C)[N+]([O-])=O)[nH]1	2932
+c1(C)cccc(C)c1Nc2n3c(nc2-c4c(cccc4)-c5nnc(N)o5)ccc(F)c3	3086
+c1cc(ccc1)N(CCCCCCCCOc2cccc3ccccc23)C#N	1201
+c1cc(ccc1)OCC2N=C(N)OC2	4827
+c1cc(ccc1NC#N)Br	9514
+c1cc(ccc1C2(CCN(CC2)C(c3cc(-c4oc(N)nn4)c(cc3CC)C5CCC5)=O)F)C#N	3086
+c1cc(ccc1Cl)Nc2ccc(cc2)CCC3NC(=N)OC3	4828
+c1cc(ccc1Cc2nnc(o2)N)F	1517
+c1ccccc1S(=O)(=O)Nc2cccc(Sc3ccc4c(CN(C(N)=N4)CCC)c3)c2	2637
+c1ccccc1S(=O)(=O)Nc2cccc(c2)S(=O)c3ccc4N=C(N)N(Cc4c3)CCC	2637
+O(CC)c1cc2nnc(N)n2nc1OCC	4826
+O(C)c1c(C(N)C)cc(c(F)c1Br)Cl	1354
+O(c1cccc(c1)F)C2=CC=C[N+](=O)C2=C=[N-]	9515
+CCOC(=O)c1c(C)nc(-c2cccnc2)[nH]1	9516
+C1CCC(C1)c2n(CC(OCC)=O)c(c(Cc3ccccc3S(=O)(=O)N4CCCC4)c2C#N)C	4671
+C(C#N)c1cccc([N+]([O-])=O)c1C	9517
+O=[N+]1C=CC=C(Cl)C1=C=[N-]	9518
+N#CCc1ncc(Br)cc1Cl	9519
+Clc1cc(c(c([N+]([O-])=O)c1C)-c2cc(F)ccc2)C(C)N	1354
+C(#N)CC(O)c1cc(ccc1)O	3692
+c12cc(ccc1cncc2)C(CC#N)=O	3075
+C(c1ccccc1Br)(CC#N)=O	3075
+C=1(C)[N+](=O)C(=C=[N-])C(=CC=1)Br	9520
+c1cc(cc(c1)F)-n2c(C(N)C)cc3c(Cl)cccc23	9521
+c1cc(ccc1)-c2c(F)cc(C(C)C(CC#N)=O)cc2	2479
+c1ccccc1C(c2ccccc2)(O)CC#N	9522
+c12cc([N+]([O-])=O)ccc1[N+](=O)C(C=C2)=C=[N-]	9523
+C1(c2csc(-c3ccc(c(OCC)c3)OCC)n2)=CC=CC([N+]1=O)=C=[N-]	9524
+c1ccccc1COc2ccc(C(=O)CC#N)c(c2)F	4245
+c1cc(ccc1)CC2=CC=CC(=C=[N-])[N+]2=O	9525
+C(C(OCC)=O)n1nnc(C#N)c1	9526
+N#CC(C#N)=C(NCCSCc1c(C)nc[nH]1)NCCSCc2sc(nn2)N	3237
+Clc1cc(Nc2[nH]nc(N)c2C#N)ccc1	4829
+c1cc(ccc1)Nc2c(C#N)c([nH]n2)N	4829
+c1cc(ccc1C=2C(C)(C)OC(=C(C#N)C#N)C=2C#N)-n3nnc(-c4ccc(cc4)N(CC)CC)c3	2274
+N#CC(C#N)=C1C(=C(c2ccc(cc2)N=[N+]=[N-])C(C)(C)O1)C#N	1870
+c1cc(ccc1OC)-n2c(N)c(C#N)cn2	9527
+Clc1ccc(c(Cl)c1)-c2c(CN)c(nc(-c3cc(c4ccn(c4c3)C)OC)n2)N	4780
+c1cc(ccc1I)C(OC)=C(C#N)C#N	3240
+c1c2c(ccc1)nccc2Nc3sc(N)c(C(N)=O)n3	3087
+c1cc(ccc1Nc2nc(C(=O)N)c(N)s2)OC	3087
+c1(sc(Nc2cc3cccnc3cc2)nc1C(=O)N)N	3087
+C1CCC(C1)(CN)CN	9528
+O=S(=O)(c1ccccc1[N+](=O)[O-])OCC(=O)N2CC(CC2C#N)F	9529
+C1C(C(c2ccc(cc2Cl)F)O)C1C#N	74
+O=S1(=O)CCCN1CC23CC4C(CC(C2)C4)(C3)NCC(=O)N5C(C#N)CCC5	402
+c1cc(ccc1F)C(N2CC(CCC2)C#N)=O	115
+C(CN1CC(CC1CO)O)C#N	987
+CCP(CCC#N)(=O)O	4332
+c1(cc2c([nH]c3c2cccc3)cc1)C=CC#N	1046
+c1(cccc(C(=O)O)c1)NCCC#N	3041
+c1c2c(CCCN(CCC#N)C)c[nH]c2ccc1	987
+c1c2c(ccc1)CC(CCNCCC#N)CO2	1287
+c1cc(ccc1)NCCC#N	3041
+C(Cn1cnc(c1)[N+](=O)[O-])C#N	9530
+c1cc(ccc1)COc2nccc3c2c(N)nn3C(CC#N)C	9531
+O=S(=O)(C)NCCc1cc2ccc(OCC#N)cc2cc1	489
+O=S(=O)(N)c1ccc(NC2CCN(CC#N)C2)c(c1)[N+]([O-])=O	1576
+Cc1cc(cc(C)c1OCC#N)Cl	489
+C(#N)Cn1c2c(ccc([N+]([O-])=O)c2)cc1	9532
+N#CCOc1cc(c(OC)cc1)OC	489
+c1cc(ccc1)Cc2c3c(n(C)c2-c4ccccc4)ccc(-c5ccc(cc5)OCC#N)c3	489
+c1cc(ccc1OCC#N)-c2cc3c(c(n(C)c3cc2)-c4ccccc4)C	489
+c1ccccc1-c2n(c3c(c(-c4ccc(cc4)OCC#N)ccc3)c2C)Cc5ccccc5	489
+c1cc(ccc1OCC#N)-c2ccc3n(Cc4ccccc4)c(C)c(C)c3c2	489
+c1ccccc1Cn2c3cccc(OCC#N)c3c4cc(C)ccc24	489
+c1ccccc1S(=O)(=O)n2ccc3cc(cnc23)-c4nn(cc4-c5nc(SC)ncc5)CC#N	4497
+C(C(=Cc1cc2c(n[nH]c2cc1)CC)C(C)=O)#N	9533
+c1cc(ccc1NC(=O)CC#N)-c2ccc(c(n2)O)C(O)=O	26
+[N+]([O-])(=O)c1ccccc1C=C(C#N)C(=O)N	2204
+c1cc(ccc1Cl)-c2c(-c3c(Cl)cc(cc3)Cl)nc(O)c(c2)C#N	2213
+c1cc(ccc1C)-c2c(-c3c(Cl)cc(cc3)Cl)nc(c(C#N)c2)O	2213
+c1cc(ccc1-c2c(-c3c(Cl)cc(cc3)Cl)nc(c(C#N)c2)O)F	2213
+c1cc(ccc1Cl)C(c2ccc(cc2Cl)Cn3nnc(C(=O)N)c3N)=O	4621
+c1ccccc1C=2c3c(-n4c(nnc4CN=2)CC#N)ccc(Cl)c3	1447
+C=C(C)CN1C(NC(=O)C=C1N)=O	9534
+c1(c(cc(c(Cl)c1)OC)NC(CC#N)=O)Cl	33
+Cc1cc(C)c(cc1)CNC(CC#N)=O	9
+c1(cccc(F)c1Oc2ccc(cc2)-c3c4c(n(CC5CCCN5C(=O)CC#N)n3)ncnc4N)F	10
+C(C1CCCN1C(CC#N)=O)n2c3ncnc(N)c3c(n2)-c4c(cc(Oc5cccc(c5F)F)cc4)F	10
+c1cc(ccc1-c2c3c(n(CC4CCCN4C(=O)CC#N)n2)ncnc3N)Oc5cc(F)cc(c5)F	10
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CN(CCC4)C(CC#N)=O)Oc5c(ccc(F)c5)F	10
+c1cc(ccc1Br)-n2c(Cl)cc(NC(CC#N)=O)c2C(OCC)=O	469
+c1cc(ccc1OCOC)C(NC(=O)CC#N)CCC	9
+c1cc(ccc1-c2nn(C3CCCN(C(CC#N)=O)C3)c4c2c(ncn4)N)Oc5c(cccc5)F	10
+c1ccccc1Oc2cc(c(-c3c4c(n(CC(C)NC(=O)CC#N)n3)ncnc4N)cc2)F	9
+c1ccccc1Oc2cc(c(cc2)-c3nn(CC4CCCN4C(=O)CC#N)c5ncnc(N)c35)F	10
+Cc1c(-c2csc(CC#N)n2)sc(N)n1	9535
+c1cc(ccc1)-c2csc(n2)CC#N	963
+c1cc(ccc1-c2c(c(nc(c2C#N)N)S)C#N)OC3CCOC3	3239
+c1c2c(ccc1)CC(CCN)CO2	51
+c1cc(ccc1)-c2cc(CCC#N)n[nH]2	9536
+c1(OCCCCC#N)c(c(O)c(cc1)C(c2c(O)cccc2)=O)CCC	8
+CC(C)N(C(=O)c1ccc(cc1)-c2occc2)Cc3ccccc3OCCCCC#N	8
+C(=C)Cn1c2C(N(C(=O)N(CCCCC)c2nc1Cl)CCCCC#N)=O	1474
+c1cc(ccc1)CC(=O)Nc2nnc(CCCCC#N)cc2	4723
+n1c(CCl)nc(c2cc(C)ccc12)O	9537
+c12sc(Br)cc1nc(CCl)nc2O	9538
+C(Cl)c1nc2c(c(n1)O)cc(OCC)c(OCC)c2	9539
+Oc1nc(nc2c1cccc2)CCl	9540
+O=C(NCC#N)n1cncc1	2483
+C(CCN(CCN)C)OC	51
+c1cc(ccc1C(NC(C(NCC#N)=O)Cc2nccs2)=O)-c3c(Cl)cccc3	1007
+O(Cc1sc(N)nn1)c2ccc(OC)c(OC)c2	3054
+N=C(Cc1cccnc1)NO	609
+C(C(=O)O)c1ccco1	459
+C(OC(=NC#N)CC#N)C	9541
+c1(nc2ccc(cc2[n+]([O-])n1)O)N	4830
+NC(N)=Nc1ccc(c(c1)S(=O)(=O)N2CCOCC2)C	4755
+C1CN(CCN1C)c2ccc(cc2)Nc3nc(c(C(c4cc5OCOc5cc4)=O)s3)N	4652
+n1[n+]([O-])c2ccccc2nc1N	4830
+c1ccccc1COc2cc(ccc2)NC(=N)N	9542
+C(c1c(c(-c2ccc(c(c2)Cl)Cl)[nH]c1Cl)Cl)#N	9543
+N#Cc1c(Cl)cc(cc1)-c2c(n(Cc3ccc(C(=O)O)nc3)nc2C)C	1
+N#Cc1c(Cl)cc(cc1)-c2c(n(Cc3ccc(nc3)C(NN)=O)nc2C)C	1726
+N(c1c(C#N)ncc(NC(C)C(N)=O)n1)c2cc3c(nc2)cccc3	9544
+Nc1n[nH]c2c1cc(I)cn2	1448
+N1(c2c(cccn2)C#N)CCc3c(nc(o3)-c4ccccn4)C1	43
+O=S(=O)(N(CCNc1c(C#N)nccc1)C)C	2849
+NC(=O)c1c(NC2C(CCCC2)C)c3cc(cn3nc1)[N+]([O-])=O	745
+C1CCC(Nc2c3cccn3ncc2C(=NO)N)C(C1)C	4610
+N#Cc1c(Nc2ccc(c(Cl)c2)Sc3nccn3C)c4cc5c(cc4nc1)cc(OCCCl)c(OC)c5	267
+c1(nnn[nH]1)-c2ccccc2O	424
+n1c(ncc(C#N)c1O)Nc2cccc(OC)c2	1334
+N#Cc1c(c(c2ccccc2c1)CBr)OC	9545
+c1c2c(c(cnc2c(cc1N)Cl)C#N)Nc3cc(Cl)c(cc3)F	0
+N#Cc1c(c2cc(N)cnc2nc1)Nc3cccc(c3)Br	13
+c1ccc2c(c(C(=O)OC)sc2c1)N	9546
+c1ccccc1COc2ccc(cc2)N=C(c3c(Cl)cccc3)N	1748
+NC(=O)c1c2c(N)ncnc2n(C3OC(CO)C(C3O)O)c1	745
+c1cc(ccc1Cn2c3ccccc3c(C#N)n2)OC	823
+NCc1c2c(c(OC)ccc2)ccc1	107
+N#Cc1cc(C=O)c(Cl)s1	2873
+c1(c(cc(C#N)c(c1)F)F)COc2cc(c(Cl)cc2)Cl	22
+N#Cc1cc(F)c(cc1F)CCO	95
+c1(cc(F)c(cc1F)C#N)CN	18
+NC(=O)c1cc(c(c(Br)c1F)F)F	2265
+CN(C)C=Nc1c(cc([N+](=O)[O-])c(c1[N+]([O-])=O)C)C#N	2275
+O=S(=O)(OCc1c(cc(C#N)c(F)c1)F)C	7
+c1(Br)cc2c(N)noc2cc1COc3cc(c(Cl)cc3)Cl	2134
+Nc1n[nH]c2c1cc(C#N)cn2	1448
+C1c2cc(nc(c2C(N1)=O)Nc3cc4c(c[nH]n4)cc3)NC5CCCCC5N	2798
+C1Cc2nc(O)ccc2-c3c1cccc3	2203
+NC(=O)c1cc-2c(nc1O)CCc3ccccc-23	4831
+N#Cc1c(c(CO)c2ccccc2c1)OC	49
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C#N)s3	4079
+N#Cc1ccc(Oc2ccc3B(O)OCc3c2)cc1C(=O)O	1
+Sc1c(c(c(C#N)cc1)C)C#N	1180
+N#Cc1ccc2c(c(-c3c4ccccc4ccc3)cc(N)c2)n1	0
+CCOC(=O)Nc1cc2c(c(c1)-c3c4ccccc4ccc3)nc(-c5nnn[nH]5)cc2	4832
+O=S(=O)(n1cccc1C#N)CC	4070
+O=C(c1c2CCCc3c(-c2ccc1)cccc3)O	9547
+c1(ccccc1CNc2ccc3c(cccc3n2)C(=NO)N)OC	253
+C(#N)c1c(-c2cc(N)ccc2)cccc1	11
+N#Cc1ccccc1Nc2nn3c(n2)cnc(-c4cccc(c4)C(=O)OCC)c3	490
+c1cccc2[nH]c(C(=O)OCC)c(N)c12	9548
+N#Cc1ccccc1Nc2nn3c(n2)cnc(-c4cccc(C(=O)O)c4)c3	6
+c1(oc2ccccc2c1N)C(=O)OC	9549
+N#Cc1ccccc1Oc2cc(c(C)cc2O)-c3cccs3	809
+N#Cc1ccccc1Oc2c(O)cc(cc2)C	5
+N#Cc1n(C)cc(c1)[N+](=O)[O-]	9550
+n1c(c(C=O)cn1-c2c(C#N)cccn2)C	2488
+N#Cc1c(O)ncc(I)c1	583
+c1(ccnc(C)c1)C(=O)C	9551
+N#Cc1ccnc(c1)NN	383
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)-c5nccc(c5)C#N	4451
+c1ccccc1COC(N2C(CCC(C2)Nc3nccc(c3)C#N)C)=O	182
+c1cc(ccc1)COc2n(nc(C)c2)-c3cc(ccn3)C#N	9552
+c1cc(ccc1OC)-c2n(-c3cc(C#N)ccn3)ncc2	2974
+c1ccccc1-c2n(ncc2)-c3cc(C#N)ccn3	2974
+c1cc(ccc1-c2sccc2C#N)Br	3082
+N#Cc1c(c2c(ncc([N+]([O-])=O)c2)nc1)Nc3cccc(c3)Br	698
+c1nc2c(c(Nc3cc(c(Cl)cc3Cl)OC)c1C#N)cc4cc(c(OCCCl)cc4c2)OC	179
+c1nc2cc3cc(c(OC)cc3cc2c(Nc4cc(c(Cl)cc4Cl)OC)c1C#N)O	179
+N#Cc1c(Nc2ccc(c(Cl)c2)Sc3nccn3C)c4cc5c(cc(c(OC)c5)O)cc4nc1	179
+c1(cc(-c2cc3c(ncc(C#N)c3Cl)s2)ccc1)C=O	3082
+N#Cc1c(c2cc(sc2nc1)I)Nc3cc(c(Cl)cc3Cl)OC	2844
+N#Cc1cnc2cc(c(OCCCC)cc2c1Nc3cc(c(Cl)cc3Cl)OC)OCCOC	179
+c1(N)cc(C#N)n(C)c1	13
+Nc1c(C#N)nc(Cl)cc1NC	13
+Nc1c(C#N)ncc(C)c1	13
+Brc1ccnc(CN)c1	421
+O=C(N)c1nccc(CO)c1	2835
+Cc1ccccc1-c2ccnc(C#N)c2	699
+Nc1c2ncccc2sc1C(=O)OC	9553
+Clc1c([N+]([O-])=O)cc(C)c(c1)C#N	9554
+c1cc(ccc1)COc2c(Oc3ccc(cc3Cl)Cl)cc(c(Cl)c2)C#N	1926
+c1ccccc1CNC(=O)c2c(C)cc(s2)C#N	9555
+c1cc(ccc1C(c2cncc(C#N)c2)=O)Cn3ncc(c3)C	9556
+N(=C(C(=O)O)c1c(C)sc(NC=O)n1)OC	1274
+N(C=O)c1sc(c(C(C(=O)NC2C(=O)N3C(=C(CSc4scnn4)CSC23)C(=O)O)=NOC)n1)C	471
+N(=C(C(=O)O)c1csc(NC=O)n1)OCC	1274
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(C(=NOCCC)c4nc(sc4)N)=O)=O	471
+N(=C(C(=O)O)c1csc(NC=O)n1)OCCCC	1274
+O=S(=O)(O)N1C(=O)C(C1COC(=O)N)NC(=O)C(=NOCCN=[N+]=[N-])c2nc(sc2)N	471
+c1cc(ccc1[N+]([O-])=O)COC(=O)C2=C(CSC3N2C(C3NC(C(c4csc(NC=O)n4)=NOCC)=O)=O)O	471
+N(C=O)c1scc(C(=NOCC)C(=O)NC2C(=O)N3C(=C(CSc4scnn4)CSC23)C(=O)O)n1	471
+N(=C(C(=O)O)c1csc(NC=O)n1)OCCN=[N+]=[N-]	310
+c1cc(ccc1[N+]([O-])=O)COC(=O)C2=C(CSC3C(C(N23)=O)NC(=O)C(c4nc(NC=O)sc4)=NOCCCC)Cl	471
+N(=C(C(=O)O)c1c(C)sc(N)n1)OC	3
+N(=C(C(OCC)=O)c1csc(N)n1)OCCN=[N+]=[N-]	310
+N(=C(C(=O)O)c1csc(N)n1)OCCN=[N+]=[N-]	3
+c1c2CCCC(Nc2ccc1)=O	9557
+c1(NC(NCCCCC)=O)cc2C(=O)N(Cc3ccc(c(c3)Cl)Cl)C=Nc2cc1	406
+c1(cc2c(-c3c(c([nH]n3)Nc4cccc(F)c4)C2)cc1OC)OC	9558
+C(CN)NC(=S)Nc1c(CC)c2c(ocn2)cc1	1167
+CONCc1cccc(F)c1	1059
+c1ccc2c(nn(n2)-c3cc(ccc3O)CCO)c1	4833
+C(c1cc2c(F)c(Cl)ccc2[nH]1)(=O)OC	9559
+C(NC(C)CN)(=O)OC	18
+C(OC)(Cn1c(Cl)nc(c1)[N+](=O)[O-])CN	18
+O=S(=O)(C)OC(c1c(F)cnc(Br)c1)(CN=[N+]=[N-])C	7
+C1(C(OC(C1O)n2c3c(c(nc(N)n3)O)nc2)CN)O	18
+NCC1Cc2c(cccc2)C(N1)=O	18
+c1(ccccc1C(=O)NCCN=[N+]=[N-])I	93
+OP(O)(=O)CCN=[N+]=[N-]	228
+NCc1c(cccc1)I	18
+CCc1c(CN)cccn1	18
+CCCOc1c(O)cc(CN)nc1	18
+c1c(cc(Cl)c(CBr)c1)Br	4597
+n1cc(ccc1F)-c2c(cnc(NC(NCC)=O)c2)Br	9560
+c1cc(ccc1C(CCCCCl)c2nnc(Nc3ccc(-n4ncnc4C)c(c3)F)[nH]2)F	4792
+C1(=O)c2c(NC1=O)c(C)ccc2	1418
+C1(=O)C(=O)c2cc3c(cc2N1)CCC3	4834
+C(C)OC(C=1C(NC(=O)N(c2cc3c(N(C(S3)=O)C)cc2)C=1)=O)=O	9561
+N(C(=O)OCc1cc2c(OCO2)cc1)C3=NC(=O)N(CC(O)=O)C=C3	3
+O=S(=O)(N1CCN(CC1=O)C(=O)CN2C(=O)NC(C=C2)=NC(OCc3cc4OCOc4cc3)=O)c5nc6ccccc6s5	9562
+c1(c(OC)c(ccc1)CNCCCC)OC	162
+n1c(cc(c(Nc2nc3c(Cl)ccc(C(=O)OC)c3n2CCCO)c1)C)OC	3023
+C(CCCCCCCCCCN1C(=S)NN=N1)(=O)O	9563
+c1(ccccc1COc2cc([N+]([O-])=O)c(c(C)c2)NC(C)=O)C(OC)=O	22
+c1c(N)cc(NC(C=C(OC)C)=O)cc1	0
+C1(=O)c2c(NC1=O)c(c(Cl)cc2)C	1418
+N(c1cc(C)ccc1N)C(CCC)CC(OCC)=O	0
+c1cc(ccc1C2C3=C(C(NC(=O)O3)=O)CC2)F	9564
+c1cc(ccc1C#N)C2C=3OC(=O)NC(=O)C=3COC2	9565
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CN3OC(=O)NC3=O	4771
+N(C(c1cc(C(=O)O)ncn1)=O)Cc2cc(c(cc2)F)C	1
+NNC(C(NC(c1sccc1)=O)C)=O	743
+c1cc(ccc1CC(Nc2ccc(cc2Cl)N(Cc3ccc(Cl)s3)C)=O)Cl	26
+N(C)C(COc1cc(C#N)ccc1CNC(=O)c2cc([N+]([O-])=O)c(c(Cl)c2)F)=O	14
+N(C)C(COc1cc(C#N)ccc1CNC(=O)c2cc(N)c(c(Cl)c2)F)=O	0
+c1cc(ccc1NS(=O)(=O)C)CC(=O)N(C(COc2c(C)c(C)ccc2)C)C	10
+C(=O)(c1ccccc1Nc2ccc3c(c2)n(C4CCCCO4)nc3C(NC)=O)O	1
+c1cc(ccc1CNC(=O)C=2C(=O)c3c(c(c(CN(C)CC(O)c4c[nH]c5c4cccc5)s3)C)N(C)C=2)Cl	822
+O=S(=O)(c1sccc1)N(c2cc3c4c([nH]c3cc2)nccc4Cl)C	9566
+CN(c1cc(C)ccc1)c2nc(N)nc(C#N)n2	3036
+O=S(=O)(NC1C2C(OC1)C(CO2)Nc3c(Cl)cnc(n3)Nc4cn(C)nc4)C	111
+O=C(C(=NOCC(OCC)=O)c1csc(N)n1)NC2C(N3C2SCC=C3C(=O)O)=O	999
+S(CC1=C(N2C(=O)C(NC(=O)C(=NOCC)c3csc(N)n3)C2SC1)C(=O)O)c4scnn4	999
+O=C(C(=NOCCCC)c1csc(N)n1)NC2C(=O)N3C2SCC(Cl)=C3C(=O)O	999
+C(ON=C(C(=O)NC1C(N2C1SCC=C2C(=O)O)=O)c3csc(N)n3)c4ccon4	999
+N(=C(C(=O)O)c1csc(NC=O)n1)OCc2ccon2	9567
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(=O)C(=NOCC(=O)OCC)c4nc(NC=O)sc4)=O	471
+O(C(=O)CCCCC(=O)N(CCCCCCC)CC)C	58
+N1c2cccc(Cl)c2N(CCCO)C1=O	9568
+N(C(=S)Nc1cnc(cc1C)OC)c2c(NCCCO)c(C(=O)OC)ccc2Cl	9569
+N(CCCO)c1c(Cl)cccc1N	0
+O(C)CCCn1c(NC(c2cc(ccc2)C#N)=O)nc3c1c(C(OC)=O)ccc3	9570
+N(CCCOC)c1c(C(=O)OC)cccc1N	0
+CCCCCCCCCCCC(=O)NCCN=[N+]=[N-]	9571
+N(c1c(Cl)c(F)ccc1N)CCO	0
+O(CCN=[N+]=[N-])CCOCCOCCN	18
+NCc1c2c(ccc1)cccn2	18
+c1cncc(CNc2c3nc(ccc3ccc2)-c4cnccc4)c1	4835
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(=O)N(Cc3nc4CCOCc4c(O)n3)Cc5sccc5	10
+c1ncncc1-c2onc(-c3cnncc3)n2	9572
+c1c(C)c(cnc1)-c2c3c(ncc2)c(no3)N	9573
+c1cc(ccc1)N(c2c3n(ccn3)nc(c2)-c4cc5c(noc5cc4)N)Cc6ccc(cc6)OC	2134
+c1(cc(ccc1)F)-c2cc(nc(n2)C)C=3NOC(=O)N=3	1988
+CCc1cc(cnc1CC)-c2nc(no2)-c3cc(C)c(c(CC)c3)O	1828
+c1(-c2noc(n2)C)cc(N)c(C)cc1	9574
+c1c(-c2noc(-c3ccc(c(OCC)c3)OCC)n2)c4cc[nH]c4cc1	529
+c1cc(ccc1C2CN(CC(C2)c3onc(-c4cnccn4)n3)C(=O)N5CCC(CC5)O)CC	4536
+Nc1c(cc(Br)cn1)C(=O)N(OC)C	1012
+Nc1ccc(cc1C(N(OC)C)=O)F	280
+O1CCCn2c1c(C(=O)N(OC)C)cn2	9575
+O=S(=O)(N(C)C)n1ccc(C(N(OC)C)=O)n1	9576
+O=S(=O)(N(C)c1cccc2c1[nH]c(C=3SC(CC(N(OC)C)=O)CN=3)c2)c4cccs4	164
+O=S(=O)(N)c1cc(ccc1C)C(N(C)OC)=O	280
+c1ccccc1C(=O)N2CC(N(S(=O)(=O)c3ccc(s3)C(N(C)OC)=O)CC2)C	4836
+c1c2c(ccc1OC)cc(cn2)C(N(OC)C)=O	1012
+c12occc1cc(cc2)C(N(OC)C)=O	2276
+c1(c(Br)cccc1N2N=C(C(N(OC)C)=O)C(=O)C(=C2)OC)F	2101
+c1(c(F)c(ccc1)C(N(OC)C)=O)F	280
+c1(c(cc(CC(N(OC)C)=O)cc1)Cl)Cl	164
+c1(N)nc(ccc1C(N(OC)C)=O)Cl	1012
+c1(c(cccc1C)C(N(OC)C)=O)Cl	280
+c1(c2c(ccc1)ccnc2)C(N(OC)C)=O	9577
+c1(cc(C=CC(=O)N(OC)C)ccc1)Br	3223
+c1([N+]([O-])=O)ccc(c(F)c1)C(N(OC)C)=O	280
+c1(ccc(cc1Cl)C(C(N(C)OC)=O)CC=C)Cl	164
+c1(C)c(F)c(ccc1)C(N(OC)C)=O	280
+Clc1c(F)c(ccc1)C(N(OC)C)=O	280
+O(N(C)C(c1cccnc1F)=O)C	9578
+c12cc(C(N(OC)C)=O)[nH]c1cccc2Cl	1006
+c1c(F)c(c(cc1)F)-c2c3c4CCC(C(N(C)OC)=O)Cc4[nH]c3c(C(=O)N)cc2	164
+c1c(c(cc(c1)C(N(OC)C)=O)C#N)OC	280
+c1c(c(ccc1C(N(OC)C)=O)-n2cc(nc2)C)OC	280
+c1c(cc(C)c(c1)C(N(OC)C)=O)Br	2276
+CN(OC)C(=O)c1cc2nccnc2cc1	280
+c1c(cnc(C(N(OC)C)=O)c1F)F	1006
+c1c2c(cccc2)c(c(C)c1)CC(N(OC)C)=O	164
+c1cc(C=CC(=O)N(OC)C)ncc1Br	9579
+c1cc(N2N=C(C(N(OC)C)=O)C(=O)C(=C2)OC)c(F)cc1I	2264
+c1cc(cc(c1)F)-n2c(c(c3ccccc23)C#N)C(N(C)OC)=O	1006
+c1cc(ccc1)-c2c(N)nc3ccc(cn23)C(N(C)OC)=O	1012
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(N(OC)C)=O	4243
+C1CN(CCC1C(N(OC)C)=O)C(=O)OCc2ccccc2	164
+c1cc(ccc1-c2cc(-c3n(c(cc3C)C(=O)N(C)OC)C)ccc2OC)S(=O)(=O)N	1006
+c1cc(ccc1C(=O)C2CCC(CC2)C(N(OC)C)=O)Cl	164
+c1cc(ccc1C(=O)N(OC)C)Br	2276
+c1cc(ccc1F)C(N(OC)C)=O	2276
+c1cc(ccc1C(N2C(CC(C(=O)N(C)OC)C2)=O)C)OC	164
+c1cc(ccc1F)N2C(NC=C2C(=O)N(OC)C)=S	9580
+c1cc(ccc1OC)CN2CCCC(C(=O)N(C)OC)C2	978
+c1ccc(c(C)c1)C(CC(N(OC)C)=O)c2cccc(c2)Br	164
+c1cc(ccc1CC(c2ccccc2)C(N(C)OC)=O)Cl	164
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COCC(N(OC)C)=O)c4	164
+c1cc(ccc1)CC(C(N(C)OC)=O)NC(OCC)=O	164
+c1ccccc1CN2CC(c3cc(c(cc3)Cl)Cl)C(C2)C(N(C)OC)=O	164
+c1ccccc1COc2cc(F)c(cc2)N3C=C(OC)C(C(C(N(C)OC)=O)=N3)=O	2264
+c1ccccc1COc2ccsc2C(N(C)OC)=O	4836
+c1ccccc1Cc2nnc(N3CCN(C(C)C3)c4cnc(cn4)C(N(OC)C)=O)c(c2C)C	3271
+c1cc(ccc1)Nc2cc(ccc2C(=O)N(OC)C)Cl	280
+C(N(C)OC)(=O)c1[nH]nc2ccccc12	4797
+n1ccnn1-c2c(cccc2)C(=O)N3CC(C(=O)N(OC)C)CCC3C	164
+N(c1c(C(N)=O)ncc(NC(C)C(N)=O)n1)c2cc3c(nc2)cccc3	1198
+c1cc(ccc1F)C(=O)C2CCN(CC2)CCCCN3C(c4c(NC3=S)cc([N+]([O-])=O)cc4)=O	9581
+n1(c2c(Cl)c(F)ccc2nc1)CCO	1449
+c1c(I)cc(c(Nc2c(F)c3nnsc3cc2C(=O)OC)c1)F	235
+C(c1cc(Cl)c(nc1-c2cc(F)ccc2)N)(=O)OC	9582
+Nc1c(C)cccc1C(=O)C	106
+N1(c2cc(C)ccc2NC1=O)C(CCC)CC(OCC)=O	1019
+c1cc(ccc1C#N)C(NNC(=O)C(Nc2cc(c(C#N)cc2)Cl)C(C)O)=O	708
+C(CN)NC(=S)Nc1c(c2c(ocn2)cc1)C	1167
+c1cc(NC(N2Cc3c(cccc3)CC2CCO)=S)c4c(cnc(c4)COC)c1	1366
+N(c1ccc(C(O)=O)nc1)C(=O)C2CCCN(c3nc(c4ncsc4n3)Nc5ccc(OC)c(c5)OC)C2	1
+c1cc2n3c(C)nnc3c(Cl)nc2cc1	2958
+C1(N(Cc2c(F)cccc2)C(=O)C=C(Cl)N1CCCC)=O	1819
+N1(C(=O)C(c2cc(O)ccc2)(NC1=S)c3cc(c(cc3)F)Br)C	5
+O=S(=O)(Oc1cccc(C2(NC(=S)N(C2=O)C)c3cc(c(cc3)F)Br)c1)C	444
+n1n2CCNCc2cc1NC=3C(N(C=C(Br)C=3)C)=O	526
+N1(C(=O)C)Cc2n(nc(N)c2)CC1	161
+N1(C(=O)C)c2cc(C)cc(C)c2C(C1)CCO	59
+N1(C(=O)C=C(C=C1C)OCc2ccc(cc2F)F)c3c(C)ccc(C(=O)O)c3	1
+c1c(ccc(COC2=C(C(N(C(=C2)C)c3c(C)cnc(c3)C(=O)OC)=O)Cl)c1F)F	4837
+C1(c2cc(F)ccc2)=CN(C(=O)C=C1)CCO	2243
+c1ccccc1COC(Nc2ccc(N3CCN(C(=O)C3)CCOC)c(F)c2)=O	90
+N1(C(=O)CN(c2ccc(N)cc2F)CC1)CCOC	0
+C=1(C(=O)N(C(=O)N(C=1C)CCCC)C)[N+]([O-])=O	2429
+C=C(C)CN1C(=O)N(C(C(N)=C1N)=O)C	3088
+C=C(C)CN1C(N)=C(N=O)C(=O)N(C1=O)C	863
+c1cc(ccc1-c2c(cc(c(OCC)c2)C(OC)=O)Br)F	2606
+c1cc(ccc1F)-c2c(cc(c(O)c2F)C=O)Br	2606
+N1(C(C(OC)=O)Cc2ccccc12)c3nnc(cc3)O	3028
+c1cc(ccc1)CN2C(C=CC(N3c4ccccc4CC3C(=O)OC)=N2)=O	9583
+C(C(=O)O)N1C(C(=C(O)C=C1C)[N+](=O)[O-])=O	9584
+C(C)(c1[nH]c2ccccc2n1)N3C(NC(=O)C(=C3N)N)=S	3088
+c1c(OC)ccc(CN2C(=O)C3C(C2)(C(O)=O)C3)c1OC	2154
+C1C(N(C(C=O)C1)CCCCCl)=O	24
+N1(C(Nc2c(ccc(O)c2)CC1)=O)C	5
+c1cc(ccc1OC)NCCN2C=Cc3ccc(C(OC)=O)cc3C2=O	291
+N1(C)C=C(C=C(C1=O)Nc2nn3CCOCc3c2)c4ccnc(c4CO)N5C(c6n(c7CCCCc7c6)CC5)=O	59
+N1(C)CCN(c2c(cc3nc(-c4c(N)cn(C5CCCCO5)n4)[nH]c3c2)F)CCC1	209
+C1N(c2cc(N)c(cc2F)N)CCCN(C1)C	0
+C1CNCCc2ccc(c3c2n1c4CCCc34)F	2217
+c1c(cc(c(NC2=CC(=O)N(C)C=C2C(=O)O)c1)F)Br	9585
+c1(cnc(F)c(c1)C)C2=CN(CC)C(=O)c3cc(OC)c(cc23)OC	3894
+N1(C=CC=C(C1=O)C(=O)NC(c2sccc2)CC(O)=O)Cc3ccc(F)c(F)c3	4748
+N1(CC(F)CC1C(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(=O)Cn4nc(c5c4CCCC5)C(O)=O	6
+OC(CNC)c1ccco1	2875
+c1cc(ccc1F)Nc2c3c(cc(OC)c(OCCCN4CC5C(C(OCC5)=O)C4)c3)ncn2	72
+C=1CN(c2c(cccc2C=1C)CSc3nc4ccccc4[nH]3)C	3089
+c1cccc2CCc3ccncc3C(NC(NNc4c(cc(cn4)C(=O)NC5C(=O)N(CC5)C)Cl)=S)c12	4784
+C1CC(CCN1C)NCCOC	15
+C(CCCN1c2ccccc2C(NC1=O)=O)O	21
+C1CC(C(c2cc3c(cc2)n(cc3Cc4c(cc(cc4)C(=O)OC)OC)C)O)C(=O)N1C	9586
+c1(cc2C(C3=C(Oc2cc1)CCCC3)=O)C#N	3057
+N1(CCCC1=O)CCCNC(CCC(=O)O)=O	4
+s1c2c(nccc2Cl)cc1-c3ccc(CCN4CCCC4=O)cn3	4838
+N1(CCCC1=O)CCn2ncc(N)c2	209
+N1(CCCC1=O)c2cccnc2N	161
+N1(CCN(CCC(=O)O)C(=O)C1C)C(C=Cc2cc(Cl)c(F)cc2)=O	4052
+c1cc(ccc1)Oc2nnc(N3CCN(C(C)C3)c4ncc(nc4)C(=O)OC)c(C)c2C	1119
+c12c(ccn1CC)cc(cc2)N3C(N(c4cccnc4)CC3)=O	2626
+C(CN1C(CN(CC1)CCc2ccc3c(COC3=O)c2)=O)c4cc5c(cc4)C(OC5)=O	1508
+c12c(cccc1)n(c(N3CCN(CCC3)C)n2)CCOCC	2071
+N1(C)CCN(c2cc(N)c([N+]([O-])=O)cc2F)CCC1	34
+c1cc(ccc1CN2CCCN(C)CC2)C(Nc3cc(ccc3C)Nc4nc(-c5cccnc5)ccn4)=O	171
+N1(CCOC(C1)C(Nc2c3c[nH]nc3cc(-c4c5cc[nH]c5ccc4)c2)=O)C(=O)C	33
+N1(Cc2c(C1=O)ccc(N)c2)CC	0
+C(c1cccc(F)c1)C(CNC)N2Cc3c(ccc(-c4n(C)ncc4Cl)c3)C2=O	110
+N1(N=C(C(=O)c2cccnc12)C(=O)O)c3cccc(c3)Br	3
+c12C(NC(=O)N(c1ncn2CC(CO)O)C)=O	871
+c1cc(ccc1OCc2cc3c(nc2)N(c4nc(Cl)ccc4N(C)C3=O)CC)O	751
+s1cc2c(C(SC)=Nc3ccccc3N2C)c1	9587
+c1c(cc(Cl)c(c1)CC(c2cc3N(C(COc3cc2)=O)C)=O)Br	3090
+N1(c2c(C(Nc3ccccc13)=S)csc2)C	9588
+N1(c2cc3c(cccc3)nc2)C(NC(=O)C(N)=C1N)=S	721
+C1(c2c(N(C(N1)=S)c3cc4c(cccc4)nc3)[nH]cn2)=O	2725
+N1(c2ccc(F)cc2F)c3c(C#C)c(F)c(cc3C(C(C(=O)O)=C1)=O)F	108
+C(N1c2ccccc2N=C(C(O)=O)C1=O)COC=O	9589
+CCN1c2c(NC(c3cc(CCOc4ccnc5ccccc45)cnc13)=O)c(cc(Cl)n2)C	1175
+N1(c2ncc(CCOc3cccc4ncccc34)cc2C(Nc5c1nc(cc5C)Cl)=O)CC	1520
+c1cc(ccc1-c2oc(c(C(OCC)=O)c2)C)OCCc3cc4C(=O)N(C)c5cccnc5N(c4nc3)CC	20
+c12c3CC(C)N1C=C(C(=O)O)C(=O)c2c(c(c3F)F)[N+](=O)[O-]	31
+COc1cc2c(C=3N(C(NC(=Nc4cc([N+]([O-])=O)ccc4)C=3)=O)CC2)cc1	9590
+c1c(N)cc(C2=NN3C(=NN(C)C3=O)C=C2C)cc1	0
+c1cc(ccc1CN2C(=O)N(c3nc(C)c(C(OCC)=O)s3)C=N2)F	1712
+N1=NN(c2c(CO)c(C)ccc2)C(=O)N1C	1555
+c1c(c(c(OC)cc1)COc2n(nc(-c3c(cccc3)Cl)c2)C)N4N=NN(C4=O)C	9591
+c1cc(c(C)cc1Br)OCc2c(cccc2N3N=NN(C)C3=O)OC	22
+c1cc(ccc1)-n2nc(cc2)OCc3c(OCC)cccc3N4N=NN(C)C4=O	9592
+C1=2COc3cc(ccc3N1C(C)C(NN=2)=O)-c4ccccc4F	11
+N1C(=O)C(C)N2c3c(SCC2=N1)ccc(N)c3	0
+N1C(=O)C(CCCC1)Nc2cc(c(cc2)C(=O)N)Nc3cc(C)ns3	216
+c1([nH]cc2c1CCNC2=O)C=C3c4c(NC3=O)cccc4CCO	292
+c1c2c(SCCNC2)ccc1	162
+c1(cnc2ccc(cc2c1F)Sc3nnc4c(cc(cn34)-c5cnn(C)c5)F)-c6cnn(c6)C	4839
+O1CC2N(c3cnc4ccc(Sc5n6c(c(cc(-c7cnn(C)c7)c6)F)nn5)cc4c13)CCC2	4839
+c1c(cnc2ccccc12)CSc3nc(cc(n3)C)O	9593
+S1C(NC(C1=Cc2cc3c(cc2)nc(o3)C)=O)=S	1149
+N1C(C)(C(COCC1=N)F)c2c(F)ccc(N)c2	0
+O=S(=O)(C)N1CC(C)NCC1	112
+C1CN(CC(C)N1)c2nnc(c(C)c2C)Cl	212
+c1cc(ccc1C(OC)=O)N2CCNC(C)C2	34
+c1cc(ccc1N2CCNC(C)C2)C=O	34
+CC(C)c1nc(N2CCNC(C)C2)c(C#N)c(-c3ccccc3)c1	43
+c1ccccc1Cc2c3c(cccc3)c(nn2)N4CC(NCC4)C	212
+C1CN(c2ccc3c(n2)cccc3)CC(C)N1	286
+C12(NC(C3CC(CC3C(N(CCCCC=CC1C2)C)=O)OCOCC)=O)C(O)=O	3
+Cc1n-2c(CN=C(c3c([N+]([O-])=O)cccc3)c4ccsc-24)nn1	9594
+C(CN(C)CCCCCC1C2C(NC(N2)=O)CS1)CCCC(=O)OC	15
+C1(c2c(CN1)cc(F)c(F)c2)=O	4840
+c1ccccc1C(=O)SCCC(N2C(SCC2C(=O)O)c3ccccc3O)=O	9595
+Nc1cccc2OCC(Nc12)(c3ncccc3)C(=O)N	0
+c12CCC(OC)c1ncnc2O	3597
+C1(Nc2c(C(=O)N)cnn3cc(-c4cnc(cc4)CNC(=O)COC)cc23)CN(c5sc(cn5)C#N)CC1CC	2643
+O=C1c2cc(c(cc2N(C=C1C(O)=O)CC)N3CCNC(COCCCCCCCCCCCC)C3)F	34
+n1cccnc1CNC(=O)c2cnc(nc2NCc3ccc(c(c3)Cl)OC)N4CCC5(C4)CN(CCC5)C	9596
+C1CC2(CN(CC)CC2)CN1c3cc(c(c([N+]([O-])=O)c3)N)C	560
+c1cc(ccc1CCN2CC3C(C(CC3)NC(=O)Nc4cc(cc(CC)c4)-c5n(nnn5)C)C2)F	236
+C1N(C(=O)CC)CC(c2c(OC)cccc2)C1	2781
+c1(ccc(cc1Br)NC2C(NCCCC2)=O)C#N	2002
+c12c(CCOC1CCN3CCN(CC3C)c4cccc5cc(C#N)ccc45)cc(-c6cnccc6)cc2	123
+c1nc(c2n1-c3c(c(ccc3)CCN4CCN(c5c6c(cc(c5)F)nc(C)cc6)CC4C)OC2)C(=O)OCC	61
+C1CC12CNCCN(C2)c3c(cnn3C)[N+]([O-])=O	959
+c1c(C)ccc(N2CCc3c(c(ncn3)O)C2)n1	43
+c1ccccc1C(=O)N2CCc3nnc(Cl)cc3C2	115
+c12ccc(N)cc1CCN(C2)C(=O)COc3cccnc3	10
+c1(C(=O)c2cc(Cl)nc(n2)C)cc(C)c3NC(Oc3c1)=O	9597
+CCOC=C1c2c(NC1=O)ncc(Br)c2	4841
+c1cc(ccc1)-c2cnc3NC(=O)Cc3c2	89
+n1c2CCc3c(c(F)cc(Br)c3)-n2c(C)n1	1447
+c12c(cc(Br)c(Cl)c1)CCC(=S)N2	199
+c1c(C(Nc2cccc(Br)c2C)=O)c(N)c(Cl)cc1	1768
+n1c2CCNc3c(c(F)ccc3)-n2c(C)n1	1447
+S(Cc1nccc2OCOc12)c3[nH]c4cc(C(=O)C)c(C)cc4n3	602
+S(c1[nH]c2cc(-n3ccnc3)c(cc2n1)F)Cc4cc(OC)ccn4	602
+N1c2cc(c(OC)cc2CCC1=O)CC=O	1156
+OC1c2ccccc2NC(CCC1)=O	74
+O(C)CCCCOc1cc(CSc2nc3ccccc3[nH]2)ncc1	602
+C1COC(O1)(CCC)CCOc2ccnc(CSc3nc4ccccc4[nH]3)c2C	3944
+c1(nccc(c1C)SCc2ccco2)CSc3nc4ccccc4[nH]3	602
+c12N(C3CN(CCC3C)c4ccnc(Cl)n4)C(Nc1cnc5[nH]ccc25)=O	54
+O=S(=O)(C)c1ccc(c(C)c1OCCOC)C(C2C=NN(C2=O)C)=O	1769
+O=S(=O)(c1c(NCC=C)c(c(cc1)C(C2C=NN(C)C2=O)=O)C)C	1769
+O=S(=O)(C)c1ccc(c(c1-c2ccon2)C)C(=O)C3C(=O)N(N=C3)CC	4842
+O=S(=O)(C)c1ccc(C(C2C=NN(C2=O)CC)=O)c(C)c1OCCOC	1769
+O=S(=O)(c1ccc(c(C)c1C=2CCON=2)C(C3C(=O)N(N=C3)CC)=O)C	4842
+O=S1(=O)c2c(cc(c(C)c2C(=O)C(C)(C)C1)C(C3C=NN(C3=O)CC)=O)C	1769
+O=S1(=O)c2c(C)cc(c(C)c2C(CC1)C)C(=O)C3C=NN(CC)C3=O	1769
+N1=NN(c2c(C)c([N+]([O-])=O)ccc2)C(=O)N1C	3091
+N1=NN(c2cccc(I)c2C)C(=O)N1C	3091
+c1cc(ccc1C=CC=2N(C)C(=O)c3c(cccc3)N=2)C	2066
+c1(noc(n1)Cc2ccccc2C)C(=O)OCC	3540
+n1nc(C2CCCO2)nc(O)c1C(NC(C)=O)CC	9598
+Cc1nc(CCCC)nc(c1CC)O	3492
+c1cc(ccc1C2CN(C(N3CCSCC3)=O)CC(c4nc(CCOCC)no4)C2)CC	1166
+c1cc(ccc1C(N2c3c(cccc3)-c4c(cnc(C)n4)CC2)=O)[N+]([O-])=O	9599
+c1ccccc1CN2CC3CC(C2)c4nc(C)ncc34	9600
+c1cc(ccc1C=Cc2nnc([nH]2)N)Cl	9601
+n1c(c(nc(-c2cnc(cc2)Cl)n1)O)C(C)NC(C)=O	9602
+c1(C)nc(on1)-c2cc(OCOC)c(C)cc2	4446
+c1ccccc1SCc2onc(n2)C	9603
+O=S(=O)(c1cnc(cc1)OCCC2C(C3CCN(CC3)c4onc(n4)COC)C2)C	880
+c1cc(ccc1Cl)C2NC(=NC2CC3CCCC3)c4ccc(OC)cc4OCC	9604
+C(=N)(NCCCCN)N	9605
+c1cc(ccc1)COC(=O)N2CCc3c(nc(nc3O)SC)C2	9606
+c1(-c2nc(on2)-c3cccc(Br)c3)cnccc1	9607
+N(c1ccc2c(CCCN2CCCN(CCO)C)c1)C(c3sccc3)=N	1139
+O=C(OC)c1c(cccc1CNC(=O)N)C(OC)=O	2277
+OCC(CO)(C(=O)O)c1cc(-c2[nH]c3cc(ccc3n2)C(=N)N)c(c(-c4c(O)ccc(CNC(=O)N)c4)c1)O	2277
+C(N)(Nc1cccc(Cc2n(CC)ccc2)c1)=O	2278
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5cc(CNC(N)=O)ccc5-c4n3)c1F)F	2277
+Ic1c(NC(=O)N)cccc1	2278
+c1cc(ccc1C(C)C)C2=NC(=O)N(Cc3cccc([N+](=O)[O-])c3)c4ccc(cc24)OCC#C	9608
+Oc1ccccc1NC(=O)N	2278
+c1cc(ccc1)C(NC(N)=O)COC(F)F	2277
+CC1(C)C(OC(C)(C)O1)c2nsc(n2)Nc3c(Oc4n(ncc4)CC)cc(Sc5ccccn5)cn3	9609
+c1c(ccc2c(ncnc12)O)F	9610
+c1n(c2nc(ccc2n1)Br)-c3ccnc(Cl)c3	9611
+c12c(ncnc1cc(OCCOC)c(OC)c2)O	3529
+c1(ncnc2COC(C)c12)O	9612
+c1([nH]c2c(cccc2)n1)CN3c4c(C(NC3=S)=O)nc[nH]4	3337
+c1cc(ccc1)CN2CCc3c(CC2)ncnc3O	9613
+c1ccccc1Nc2c(c3c(cc2C(=O)OC)[nH]cn3)Cl	9614
+c1cc(ccc1-c2ccccc2C#N)Cc3c(ncnc3CCC)O	9615
+C1CC1c2[nH]nc(c2)-n3c4c(cc(F)c(c4F)NC(C)c5ccc(cc5)F)nc3	9616
+C1CC1c2n[nH]c(-n3cnc4cnc(cc34)NC(c5ccc(cc5)F)C)c2	9617
+c1ccccc1CN2Cc3ncnc(O)c3CC2	9618
+Nc1c(Br)csc1C(=O)NC	227
+c1cc(ccc1C=2N(C)C(=O)c3ncc(Br)cc3N=2)OCCCN4CCCC(C4)C	9619
+c1(N)c(NC)ccc([N+]([O-])=O)c1	60
+Nc1c([N+]([O-])=O)cc(-c2ccc(c(NC)c2)[N+]([O-])=O)cc1	60
+Nc1c(cc(C(NC)=O)cc1)OC	14
+Nc1c(cnc(NC)n1)[N+](=O)[O-]	96
+Nc1ncc(Br)nc1C(=O)NC	2476
+Nc1ncc(CCC(=O)NC)nc1Br	9
+Nc1sc(nn1)-c2ccnc(NC)c2	70
+c1(C(=O)NC)c2ccccc2n(C)c1	1650
+O(c1c(C(=O)NC)cc(Br)cn1)C	56
+c1nc(ncc1C=2N(C)C(c3ccnc(OC)c3N=2)=O)OC4CCN(CC4)C5CCC5	9620
+O(c1cc2cccnc2cc1)c3cc(NC)ncn3	40
+O1CCC(c2c1cccn2)NC	2049
+C1CC2(OCCO2)CCC1NC	87
+C(=O)(c1cc(c(cc1F)F)N)NC	14
+c1(c(cccc1)C(=O)NC)I	14
+c1(cc(c(Cl)cc1)Cl)Oc2ccc(cc2CNC)Br	42
+c1[nH]c2c(ccc(C)c2)c1CNC	249
+CNCc1n(c2c(cccc2C)c1)C	294
+O=Cc1cc2cc(OC)ccc2nc1NC	554
+s1c(C(=O)OC)ccc1CNC	1466
+CNCc1ccc2c(n1)NC(=O)CS2	294
+CNCc1ncccc1	294
+O=S(=O)(C)N(C)c1c(cc2c(C(NC)=O)c(oc2c1)C3=CCCC3)Br	1036
+c1c(CNC)ncnc1Oc2ccc3[nH]c(C)cc3c2F	9621
+O=S(=O)(C)c1c(ccc(Br)c1)CNC	370
+O=S(=O)(C)c1cc2c(CCC(O2)CNC)cc1	463
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c([nH]c(C=4SC(CC(NC)=O)CN=4)c3)c(c2)C	9
+O=S(=O)(CCNC)c1cc2c(cc1)nc(s2)NC(=O)NC(=O)c3ccccc3Cl	4353
+O=S(=O)(NC)CCCCCl	111
+O=S(=O)(c1cc(C#N)cc([N+](=O)[O-])c1)NC	71
+O=S(=O)(NC)c1ccc(O)c(C(=O)O)c1	71
+O=S(=O)(c1ccc(c(C)c1)Br)NC	71
+O=S(=O)(NC)c1ccc2c(c1)c3ccccc3s2	71
+O=S(=O)(c1c(C)nc(NC)s1)N	4843
+CNCCC#Cc1cccc(CF)n1	9622
+Fc1cc(cc(F)c1)OCCNC	285
+O=S(=O)(Oc1ccc2c(OC(CNC)CO2)c1)C	463
+O=S(=O)(c1c(F)ccc([N+]([O-])=O)c1)NC	71
+O=S(=O)(c1c(OC)ccc(Br)c1)Nc2cc(C(NC)=O)cnc2	1650
+c1cc(ccc1)-c2cc(CNC)cn2S(=O)(=O)c3cccc(c3)C(=O)OC	249
+O=S(=O)(c1ccc(F)c([N+](=O)[O-])c1)NC	71
+c1cc(ccc1S(=O)(=O)NC)Br	71
+O=S(=O)(c1ccc(cc1)N)Nc2cc(Br)nc(NC)c2	340
+O=S(=O)(NC)c1cccc(Br)c1	71
+O=S(=O)(n1cc(CNC)c2cnc(Br)cc12)c3cc(F)ccc3	249
+O=S(=O)(n1cc(CNC)cc1Br)c2ccccc2	249
+O=S(=O)(c1cnccc1)n2cc(CNC)c3ccc(C(OC)=O)cc23	249
+BrC=1C(N(C)c2nc(ncc2C=1)NC)=O	435
+O=S(=O)(n1cc(c(F)c1-c2ccccc2)CNC)c3cnccc3	249
+O=S(=O)(c1ccc(cc1)C)n2c3c(c(c(CCNC)cn3)Cl)cc2	110
+O=S1(=O)N(CCCNC)c2ccccc2N1c3ccc(cc3C)F	132
+OC(CNC)c1cccn1C	284
+CNC(C(=NOC)c1ccccc1O)=O	9623
+S(c1c(C(=O)NC)cc(cc1)C)c2csc3ccccc23	14
+Brc1ncc(c(NC)c1)[N+](=O)[O-]	9624
+[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12	56
+OCc1ccc(C)c(NC)n1	70
+Clc1cc(C)nc(NC)c1[N+](=O)[O-]	70
+N(C)Cc1c[nH]c(-c2c(cccc2)F)c1	249
+c1ccc(cc1OCSC)C=NC	853
+C1N(C(c2c1cc(Br)cn2)=O)C	9625
+c1(Cl)cccc(Cl)c1S(=O)(=O)NC	71
+c1(Cl)ccnc(CNC)c1	1279
+c1cc(c(nc1)NC)[N+](=O)[O-]	70
+c1c(NC)c([N+]([O-])=O)c(F)cc1	60
+c1(N2C(CC(C2)C(=O)NC)=O)ccc(c(C)c1)OCc3cccc(F)c3	248
+c1([N+]([O-])=O)cccc(-c2ccc(C)cc2C)c1C(NC)=O	513
+c1c(F)c(NC)nc(c1F)F	182
+c1(c(N)c(C(NC)=O)ccc1)F	14
+c1(c(C(OCC)=O)cnc(Cl)c1[N+](=O)[O-])NC	105
+c1(c2cc([N+]([O-])=O)ccc2[nH]c1)C=3CCC(CC=3)NC	4462
+CNC(=O)c1c[nH]c(c1Cl)C(=O)OC	56
+c1(cc(C#N)c(Cl)cc1NC)[N+]([O-])=O	60
+c1(cc(ccc1Br)OCCCNC)CC	132
+c1cc(c(cc1C(C(C)NC)CC=C)Cl)Cl	87
+c1cc(C(NC)=O)c(nc1Cl)NCC	56
+Nc1cccc2c1ccc(C(NC)=O)n2	658
+c1(ccsc1C)C(=O)NC	2582
+c1(c(C(OCC)=O)cnc(Cl)c1C)NC	105
+CCOC(c1c(NC)cc(Cl)nc1)=O	105
+n1c(-c2cccnc2Cl)ncnc1NC	387
+[nH]1c(nc2c(F)cccc12)NC	3687
+C(C(NC)=O)Cc1c([nH]c2CCCCCc12)C=C3c4c(NC3=O)ccc(Br)c4	9
+c1(c(NC(=O)c2n(-c3c(Cl)cccn3)nc(Cl)c2)c(C(=O)NC)cc(c1)C#N)Cl	1302
+c1(NC)nc(-c2cnccc2)nc3c(C)cc(cc13)Br	40
+c1(c(NC(c2cc(nn2-c3c(Cl)cccc3)Br)=O)c(cc(c1)Cl)Cl)C(=O)NC	1302
+c12c3c(cccc3)ncc1nc(CCC)n2CCC(NC)=O	271
+c12cc(-c3cc(ccc3)[N+]([O-])=O)ccc1c(cn2-c4ncnc(NC)c4)Br	40
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(cc4C)C(NC)=O	93
+N=1c2c(C(=O)N(C=1C)C)cccc2	3434
+c12cnc(NC)cc1nc(C)c(-c3c(F)cc(c(c3)N)F)c2	2791
+C(COc1cc(Br)c(F)cc1)(CNC)O	122
+c1c(cc(CO)c(c1)C(NC)=O)Br	513
+c1c(Br)ccc2c1ccc(C(NC)=O)c2	14
+N(C)CC(NCCc1cc2c(OCO2)cc1)=O	402
+Clc1cc2ncc(n2cc1)-c3cc(Cl)nc(NC)c3	70
+c1c(I)cc(c(Nc2c(ncc3cncn23)C(NC)=O)c1)F	2476
+c1(cc(cc([N+]([O-])=O)c1)S(=O)(=O)NC)[N+]([O-])=O	71
+c1c([N+]([O-])=O)c(NC)cc(c1)O	60
+c1c(cc(C)c(c1)C(NC)=O)Br	14
+c1c(cc(c(F)c1)CNC)Br	370
+c1c(cc(c(c1)[N+]([O-])=O)NC)Br	60
+c1c(cc(cc1Br)C(NC)=O)I	14
+N(C)C(CC1N(C(=O)c2cc3NC(=O)COc3cc2)c4ccc(cc4OC1)Br)=O	9
+c1c(cc2sc(NC)nc2c1)Br	2564
+c1c(ccc(Oc2cc(C(NC)=O)ccc2[N+]([O-])=O)c1F)F	93
+c1c(n(-c2cc(NC)ncn2)nc1C)N	40
+c1(Sc2ccc(C)cn2)cc(nn1-c3c(Cl)cccc3)CNC	294
+c1c2c([nH]cc2CCC(NC)=O)ccc1	9
+N(C)C(Nc1ccc(Oc2c3cc(C(=O)NC)c(cc3ncc2)OC)cc1Cl)=O	14
+c1cc(CCNC)c(cc1F)[N+]([O-])=O	132
+c1cc(CN2C(C=3C(=C(N(CCCCNC)C(C=3O)=O)C(=O)OC)CC2)=O)cc(Cl)c1F	284
+c1cc([N+]([O-])=O)c(NC)nc1Cl	70
+c1(cc(ccc1[N+]([O-])=O)F)C(NC)=O	14
+CNC(C(c1c(cccc1)C)=O)=O	9626
+C(C(COc1cccc(Nc2ncnc(Nc3cccc(C)c3)c2)c1)O)NC	122
+c1ccccc1-c2cc(c(nc2-c3ccc(cc3)CN4CCC(CC4)N5C(=O)Nc6c5cccc6)NC)C#N	70
+c1cc(ccc1)-c2n3nc(C(=O)NC)ccc3nc2-c4ccc(cc4)C5(CCC5)N	81
+c1ccccc1C(n2ccc3ccccc23)CCNC	284
+c1ccccc1C2CC2C=NC	9627
+c1cc(ccc1)CC(C(NC)=O)CCn2c3cccc(C)c3nc2COc4ccc(cc4)Cl	271
+c1cc(ccc1)COC(=O)NC(CCCCCC(NC)=O)c2oc(cn2)-c3cc4c(cccc4)nc3OC	9
+c1cc(ccc1)COC(c2c([nH]c3ccc(CCNC)cc23)C)=O	285
+c1cc(ccc1)COC(N2CCC(CC2)n3ccc4ccc(cc34)C(=O)NC)=O	14
+c1cc(ccc1)N2c3ccccc3CC(CCCNC)C2=O	284
+c1cc(ccc1)Oc2ccc(CNC(c3ccc(nc3N)NC)=O)s2	70
+c1cc(ccc1)S(=O)(=O)n2c(c(c(c2)CNC)C(C)C)Br	249
+c1cc(ccc1-c2oc3c(cc(c(NS(=O)(=O)C)c3)Br)c2C(=O)NC)F	1036
+c1cc(ccc1-c2oc3cc(c(Br)cc3c2C(=O)NC)N(C)S(=O)(=O)c4ccccc4)F	1036
+c1cc(ccc1-c2oc3nc(Cl)c(cc3c2C(NC)=O)Br)F	9628
+c1cc(ccc1Cl)-c2oc3cc(NS(=O)(=O)C)c(C4CC4)cc3c2C(NC)=O	1036
+c1cc(ccc1-c2c(n3cc(ccc3n2)Br)C(NC)=O)F	312
+c1cc(ccc1-c2oc3c(cc(Br)c(N4CCCC4=O)c3)c2C(=O)NC)F	1036
+c1cc(ccc1-n2nnc3cnc(nc23)NC)OC	96
+c1cc(ccc1CCNC(OCC(=O)NC)=O)Br	9629
+c1cc(ccc1C(=C(CC)c2ccc3occc3c2)c4ccc(cc4)O)OCCNC	284
+c1cc(ccc1[N+](=O)[O-])C(NC)=O	93
+c1cc(ccc1CNC)C(=O)c2ccccc2	370
+c1cc(ccc1C(O)CNC)NC(=O)C	132
+c1cc(ccc1Br)C(CC(NC)=O)c2ccc(cc2)Cl	9
+c1cc(ccc1C(Nc2ccc(cc2)CC(N(CC(COc3ccccc3)O)Cc4ccccc4)CO)=O)C(NC)=O	14
+c1cc(ccc1C(OCC)=O)-c2cc(c(cc2)OCCCNC)-c3ccc4C(C)(C)CCC(C)(C)c4c3	1918
+c1cc(ccc1C)-c2c(cccc2)C(Nc3ccc(cc3)C(=O)N(C)c4ccccc4CNC)=O	42
+c1cc(ccc1CCCC(NC)=O)N	248
+c1cc(ccc1CCCCCCCCCCCC)S(=O)(=O)Nc2sc(nn2)CCCCCNC	132
+c1cc(ccc1CCNC)-n2c3c(c(C)cc(C)n3)nc2CC	284
+c1cc(ccc1CCNC)-n2c(CC)nc3c2cc(c(C(N)=O)c3)Cl	285
+c1cc(ccc1CCNC)C	463
+c1cc(ccc1CNC)-c2cc(NC(=O)C3(CC3)c4cc5OCOc5cc4)ccc2C	4339
+c1cc(ccc1COc2cc(O)c(cc2Cl)C(=O)NC)OC	513
+c1cc(ccc1-n2c(c(Br)nc2CC(=O)NC)-c3c(cccc3F)F)Cl	9
+c1cc(ccc1F)-c2oc3c(c2C(NC)=O)c4CC(Oc4c(NS(=O)(=O)C)c3)C	1036
+c1cc(ccc1F)-n2ccc3cc(ccc23)OCCCCNC	132
+c1cc(ccc1C(CC=C)C(=O)NC)F	9
+c1cc(ccc1F)C2c3c(CC2)c(NC)nc(Cl)n3	40
+c1cc(ccc1N2C(C=CN=C2C(C)NC)=O)F	1682
+c1cc(ccc1OCc2ccc(cc2)F)OCC(NC)=O	271
+c1cc(ccc1Oc2ccnc(NC)n2)OCc3ccccc3	96
+c1cc(ccc1C(O)=O)S(=O)(=O)NC	71
+N(C)CC1Oc2c(cccc2C1)-c3cc(C)ccc3C	463
+Cc1c(cccc1)-c2cc(F)c3c(c2)CC(CNC)O3	463
+Clc1ccc(Cl)c(c1)-c2cccc3CCC(Oc23)CNC	463
+Cc1c(c(ccc1)-c2c3c(CC(CNC)O3)ccc2)C	463
+c1cc(ccc1CNC)[N+]([O-])=O	370
+c1(NC)ccc(cn1)C#N	70
+c1ccc2C(C(CNC)CC=C)c3c(cccc3)COc2c1	110
+c1cccc(c1OCCC)-c2nc(cc(n2)O)C(=O)NC	780
+c1c2c(ccc1)n(C)c(CNC)c2C	294
+c1ccccc1-c2ncc(c(NC)n2)C(OCC)=O	40
+c1cc(ccc1)-n2c(c(C)c(C(NC)=O)n2)N	81
+c1ccccc1C(c2cc(OC)cc3c2cc[nH]3)CCNC	110
+c1ccccc1CCC(C(=O)NC)N	248
+c1ccccc1COC(NC(C(NC)=O)CC(C)C)=O	9
+c1ccccc1COC(NCC(C(=O)NC)C)=O	248
+c1ccccc1COc2cc3c(cc2)ncc([N+]([O-])=O)c3NC	105
+c1ccccc1COc2c(cc(cc2)Br)CNC	42
+c1ccccc1Nc2nc(ccc2C(=O)NC)Cl	56
+c1cc(ccc1)OC(NC)=O	101
+c1(cc2c(nccc2Oc3ccc(c(Cl)c3)NC(=O)NC)cc1OC)C(=O)OC	238
+c1ccccc1S(=O)(=O)c2ccc3OCCN(C(CCNC)=O)c3c2	4844
+c1nc(ncc1)C(O)CNC	284
+n1(Cc2c(F)cccc2)c3c(nc1)cnc(n3)NC	96
+N(C)C(c1nn(C2CCCCO2)c3cc(ccc13)Nc4ccccc4C(OC)=O)=O	81
+n1c(nc(Cl)c([N+]([O-])=O)c1NC)Cl	40
+c1c(NC)ncnc1Cl	40
+COc1cn2cc(-c3cnc(NC)cc3)nc2cc1	182
+c1nc(ncc1OCc2ccccc2)NC	96
+n1cc2ccc(nc2c(Br)c1)C(NC)=O	81
+C1C(c2c(CC1)cccn2)NC	2049
+n1ccncc1C(O)CNC	284
+n1cnn(-c2cc(NC)ncn2)c1N	40
+NC(=O)C1C(C2CC1C=C2)Nc3c(c(ncc3Cl)N)N	13
+CCCn1c2c(c(nc(n2)-c3ccccc3OCCC)O)c(C)n1	9630
+NC(=O)c1c(NC2C(CCCC2)C)c3n(nc1)cc(N)c3	13
+NC(=O)c1c(c2ccc(-c3c(C)nn(C)c3C)cc2nc1)Nc4cccc(C(=O)O)c4	6
+c1c(C)c(c(cc1-c2nc(O)c3c(OC)cc(OC)cc3n2)C)OCCCO	748
+c1c(c(Br)nc(c1)-c2nc3cc(cc(OC)c3c(n2)O)OC)OC	2863
+c1cc(ccc1N2CCN(C(C)=O)C(C2)C)-c3nc(c4c(cc(OC)cc4OC)n3)O	748
+Oc1c2c(nc(-c3cnncc3)n1)cccc2	4845
+c1(c(cc(c(c1Br)F)F)C(=O)O)F	9631
+c1(Cl)c(cc(c(c1N)Cl)C(N)=O)F	0
+S=C(c1c(cccc1)[N+]([O-])=O)N	581
+Nc1sc(nn1)-c2cc3c(cc2)cnc(F)c3	4846
+Nc1sc(nn1)-c2cc(Cl)ncc2	4846
+c1c(OC)c(c(cc1)OC)CNC(Nc2nc(Br)ccc2)=N	9632
+c1cc(ccc1Br)-c2csc(Nc3cccc(C)n3)n2	354
+n1ccncc1Nc2nc(c(s2)-c3ccncn3)-c4cc(ccc4)C#N	4465
+Cc1nc(-c2cc3c(c(c2)O)scc3)sc1C(=O)OCC	2242
+c1cc(ccc1C(NC(C(=O)O)CCCC(O)=O)=O)F	946
+c1cc(ccc1S(=O)(=O)Nc2ccccc2Oc3ccc(Cl)cc3Cl)C(NCC(NCCCCC(N)C(OC)=O)=O)=O	9
+c1([N+]([O-])=O)cccc(c1)-c2sc(nc2C(=O)OC)C	9633
+c1(cc2OCCc3c(nc(C)s3)-c2cc1)N4CC(CNC(C)=O)OC4=O	3532
+c1cc(ccc1-c2c(sc(C)n2)C(=O)OC)F	9634
+Cc1ccccc1-c2nc(C)sc2C(=O)OCC	9635
+c1ccccc1COC(NC(C(O)=O)CC(N)=O)=O	544
+c1cc(ccc1C(NC(C(O)=O)CCC(=O)OC)=O)F	946
+c1cc(ccc1)COC(=O)NC(c2ccccc2OC)CCC=C	101
+c1(nc([nH]c1)C(NC(=O)c2cncs2)CCCCCC(NC)=O)-c3cc4ccccc4nc3OC	454
+c1cccc2c1C(=O)N(C2=O)C(C)CO	672
+O=S(=O)(NC(C)CO)c1c([N+]([O-])=O)cccc1	71
+O=S(=O)(c1c([N+](=O)[O-])cccc1)Nc2ccccc2C=NC(C)CO	853
+O=S(=O)(c1ccc(cc1)Cl)N(Cc2ccc(cc2)C(NC(C)CO)=O)C3C(CCCC3)C	14
+C1(c2c(C=CN1C(C)CO)c(c(C)cc2)[N+]([O-])=O)=O	1892
+c1c(cc([N+]([O-])=O)c(NC(C)CO)c1)Br	60
+c1cc(ccc1)-c2c(COc3ccc(cn3)C(NC(CO)C)=O)c(on2)C	56
+c1ccccc1COC(=O)NC(C)CO	101
+c1cc(ccc1C)C2CCCN2c3nc(cc(Nc4sc(C#N)cn4)n3)C(NC(C)CO)=O	81
+c1cc(ccc1OC)CNC(C)CO	42
+c1cc(ccc1S(=O)(=O)N(C2CCCC(C)C2)Cc3ccc(cc3)C(NC(C)CO)=O)Cl	14
+c1ccccc1COC(=O)c2ccc(cc2C)C(NC(C)CO)=O	14
+c1ccccc1CSc2nc3nc(N)sc3c(NC(CO)C)n2	9636
+c1(nc2ccc([N+]([O-])=O)cc2cn1)N	9637
+c1(nc2c(cc(c(OC)c2)Br)cn1)N	9638
+c1(cccc(c1)CCc2nc(N)nc(O)c2)Br	9639
+c1c(cc2c(c1)nc(N)nc2)Br	9640
+c1cc(ccc1)Cc2c(O)nc(N)nc2C	3491
+c1cc(ccc1COC2CCCCO2)Cc3c(C)nc(N)nc3O	9641
+c1cc(ccc1OC)Cn2nc(c(-c3ccnc(N)n3)c2)-c4cccc([N+]([O-])=O)c4	3805
+NC(N)=NC(Cn1c(ccc1-c2ccccc2)C3CCC(CC3)CCC)=O	9642
+c1cc(ccc1)-c2ccnc(N)n2	4523
+c1ccccc1C(c2cc(ccc2F)-c3ccnc(n3)N)O	9643
+C(c1c(O)nc(nc1)N[N+](=O)[O-])C=2C=CN(C(C=2)=O)CCCC	9644
+n1c(N[N+]([O-])=O)ncc(c1O)Cc2ccc(nc2)OC	4847
+c12C(NC(=O)Nc1c(C)cc(c2)Br)=O	9645
+c1c(Br)c(Cl)cc2c1cnc(O)n2	4660
+c1c2c(cc(OC)c1Br)nc(nc2)O	9646
+c1(c(c(ccc1C)O)C)Cl	4271
+c1cc(ccc1)C=2C(c3cc(c(c([N+](=O)[O-])c3)O)Cl)NC(=O)NC=2c4ccccc4	9647
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4cccc(C)c4	4848
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4ccc(Cl)c(Cl)c4	4848
+c1cc(ccc1)S(=O)(=O)n2ccc(c2)C3=C(c4ccccc4)C(NC(=O)N3)c5cc(c(c(c5)[N+]([O-])=O)O)OCC	9648
+c1c(CN2c3ccccc3NC2=O)cccn1	4849
+c1cc(ccc1)C(c2ccccc2)N3CCN(CC3)CCCN4C(Nc5cc(c(Cl)cc45)Cl)=O	4849
+c1cc(ccc1-n2c3C(=O)NC(=O)Nc3cc2)Br	9649
+c1ccccc1-c2c3c(nc(O)n2)cccc3	9650
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCN4C(Nc5cc(ccc45)C(F)(F)F)=O	1595
+CCOC(=O)C(c1csc(N)n1)=NOCC	1145
+N1C(NC(=O)C(=C1C)C)=S	9651
+O=C(C(=NOC)c1csc(N)n1)OC	9652
+O=C(OCC)C(=NOCCC)c1csc(N)n1	1145
+O=C(OCC)C(=NOCCCC)c1csc(N)n1	1145
+N(=C(C(OCC)=O)c1c(C)sc(N)n1)OC	9653
+Nc1sc2c(CCCCC2=O)n1	3565
+n1cc(cnc1C)CC=2C(=O)NC(NC=2)=S	9654
+O=S(=O)(C)c1c(ccc(-c2c(C)nc(N)s2)c1)Cl	9655
+O=S(=O)(N(c1cccc(c1F)-c2nc(N)sc2)COC)c3c(F)ccc(F)c3	354
+O=S(=O)(N1c2c(CC1)cc(cc2)-c3c(C)sc(N)n3)c4ccccc4[N+]([O-])=O	1258
+Nc1nc(cs1)-c2c3cc(Br)cnc3[nH]c2C	9656
+c1(C)cc(cc(C)c1-c2csc(N)n2)Oc3ccc4OCOc4c3	354
+c1(N)nc(c(C)s1)-c2cc3CCN(C(c4ccccc4C)=O)c3cc2	1258
+c12c(cncc1F)sc(n2)-c3c([N+]([O-])=O)cccc3Cl	3092
+c12c(cncc1sc(-c3c(F)cccc3Cl)n2)F	3092
+c1c(C)c(c(cc1OC)C)-c2csc(N)n2	354
+Cc1cc(cc(C)c1-c2nc(sc2)N)Oc3ccc(cc3)F	354
+c1c(Cl)c(c(cc1C#N)Cl)-c2sc3cncc(F)c3n2	3092
+C1CCc2ccc(cc2-c3nc(N)sc13)F	1258
+c1cc(ccc1)-c2nc(N)sc2C=3C=CC(N(C(C)C)N=3)=O	9657
+c1c(C)c(c(cc1Oc2ccccc2)C)-c3nc(sc3)N	354
+c1cc(ccc1-c2nc(N)sc2)C#N	354
+C1CCCCC1Cc2c(-c3ccc(cc3)OC)nc(N)s2	1258
+c1cc(ccc1C(O)=O)-c2nc(N)sc2	9658
+O=S(=O)(NC1CCCC1)c2ccc(cc2)-c3nc(N)sc3	354
+c1cc(ccc1SC)Cc2c(C(OCC)=O)nc(N)s2	9659
+c1cc(ccc1-c2nc(N)sc2C)OC	1258
+c1ccccc1C(Nc2nccc(c2)-c3c(-c4ccc(cc4)OC)nc(N)s3)=O	9660
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3C(C(=O)N23)NC(=O)C(=NO)c4csc(N)n4)=O	9661
+c1ncncc1CC=2C(=O)NC(NC=2)=S	9662
+O(c1cccnc1)c2cc(OCCOC)c(Nc3nccs3)nc2	3030
+c1ccccc1COC(=O)NC([PH](=O)O)C	101
+N#Cc1cc(c(c(c1N)[N+](=O)[O-])C)[N+]([O-])=O	274
+c1cc(c(-c2cc(c(C)[nH]2)C(N)=O)cc1)N	0
+Oc1c2sccc2nc(-c3ccccc3OC)n1	9663
+NC1=C(N)C(N(C(=O)N1)C)=O	721
+C(O)c1cccc(c1)OCCCNC2=C(N)C(=O)C2=O	41
+NC1=NC(=CC(N1C)=O)NN	9664
+c1cc(ccc1-n2c3c(cnc(n3)NC4CC(CC4)C(=O)O)nn2)OCCOC	96
+c1cc(nc(-c2c(cnc(NC3CC(C(=O)O)CC3)c2)Cl)c1)NCc4cc(ccc4)F	182
+c1cc(ccc1I)-n2nnc3cnc(nc23)NC4CCC(C4)O	96
+c1cc(ccc1OC)CN2C=Cc3cc(ccc3C2=O)OC4CC(CC4)N	57
+c1ccc2c(c(cn2Cc3c(F)cc(-c4cnn(C)c4)cc3)C(NC5C(O)CCC5)=O)c1F	1281
+O=S(=O)(CC)NC(C(NC1CCCCC1c2cc(c(O)cc2)OC)=O)C(C)C	9
+n1cc(cnc1C(=O)NC2CN(c3nccn4cccc34)CC2)Br	855
+c1cc(ccc1F)-n2ccc(n2)C(NC3CCN(c4nccn5c4nnc5)C3)=O	81
+CCC(NC1CCc2cc(OC)ccc2C1)=O	9665
+c1cc(ccc1)COC(NC2C(CCCC2)CNC3Cc4c(cc(F)cc4)CC3)=O	110
+NC1CCc2ccc(cc2C1)O	5
+c1ccccc1COc2ccc(cc2)C(O)C(=O)NC3Cc4c(ccc(c4)O)CC3	9
+c1[nH]c2c(cc(C#N)cc2)c1CCCNC3Cc4c(OC3)cccc4OC	132
+O=S(=O)(OCC1OC(CC1O)N2C(N=C(C(=C2)I)N)=O)c3ccc(cc3)C	36
+c1c(C2CC(c3c(nccc3C)C2)=O)c(F)ccc1C	9666
+C1(C(=C(N)N(CCCC)C(N1)=O)N=O)=O	863
+C1(C(=C(N)N(CCCCC)C(N1)=O)N=O)=O	863
+O(C(=O)CCCCC(=O)NCC(=O)c1ccccc1OC)C	612
+O=S(=O)(c1c(Cl)cc(cc1)Cl)NCCCCN	71
+c1(cccc(C(=O)O)c1)Nc2nc(ccn2)-c3ccnc(c3)NCCCCN	70
+c1cc(ncc1Br)NCCCN	340
+C(CNC(c1nc(c(nc1N)N)Cl)=O)N(C)CCC(=O)NCCN	248
+O=S(=O)(C)Nc1ccc(CC2=NCCN2)c(C)c1F	9667
+c1cc(ccc1)CS(=O)(=O)c2c(NCCN)ccc([N+](=O)[O-])c2	205
+O=S(=O)(Nc1c2c(ccc1OC)C(CCC2)C=3NCCN=3)C	9668
+O=S1(=O)c2ccc(cc2C(c3c1cc(cc3)C=4NCCN=4)=O)F	3923
+c12c(cccc1[nH]cc2Cl)NC(=S)NCCN	1167
+c1(nsc2ccc([N+]([O-])=O)cc12)NCCN	4060
+c1(cc(Cl)c(cc1)Br)NCC2=NCCN2	9669
+C1NCCNC1c2ccco2	9670
+NCCNc1ccc2ccccc2c1	9671
+c1(ccc([N+]([O-])=O)c(n1)N)NCCN	70
+c1ccccc1COC(NCCN)=O	101
+c1cc(ccc1)Cn2c(c(c3c2cc(cc3)C4=NCCN4)C(=O)NCc5cc(F)c(cc5)F)C(C)C	9672
+c1cc(ccc1)Oc2ccc(CNC(c3ccc(NCCN)nc3N)=O)s2	70
+c1cc(ccc1-c2csc(NCCN)n2)Br	4289
+c1cc(ccc1C23Cn4c(C(=O)N2CCN3)ccc4Br)OC	9673
+c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2	9
+c1cc(ccc1F)C2c3nc(nc(NCCN)c3CC2)Cl	40
+c1ccccc1COc2ccc(C3=NCCN3)c(N)c2OC	2086
+c1ccccc1COc2ccc(cc2Cn3nc(cc3C)C4=NCCN4)Cl	9674
+c1cc(ccc1S(=O)(=O)NCCNc2ccc3c(cccc3)c2)C=C	71
+c1(c(cc(cc1)N(C)c2c3ccccc3nc(NCCNC(=O)C)n2)OC)OC	68
+c1c(nc(nc1)NCCc2ccc(c(OC)c2)OC)-c3cc(ccc3)[N+]([O-])=O	96
+c1(cc2oc(nc2cc1)NCc3c(Cl)cccc3)O	1527
+c1(c(cnc(n1)Cl)N)NCc2ccccc2F	40
+C(c1nc(nc(NCc2c([N+]([O-])=O)cccc2)c1Cl)-c3c(F)c(c(Cl)cc3)OC)(OC)=O	40
+CC(C)c1c(C)nc(C)c(CN)c1	1747
+c1cc(ccc1-c2nc(no2)CCCCCCCCCCC)CNCc3c4ccccc4sc3	42
+Oc1c(CNCc2cc(CC(OC)=O)ccc2)cccc1	42
+O=S(=O)(c1ccc(cc1)C#Cc2ncccc2)NCc3ccnc4c3cccc4	71
+c1cc(ccc1Cc2ccccc2)S(=O)(=O)NCc3ccnc4c3cccc4	71
+C(CCCCCCCCCCCC)C(NN)=O	561
+c1(-c2cc(c(C)cc2)C=3C(N(c4nc(SC)ncc4C=3)C)=O)[nH]cnn1	9675
+n1nc([nH]c1)-c2c(c(c(Br)s2)C#N)Br	2338
+c1c(-c2c(-c3nnc[nH]3)cn(-c4ccnc(Cl)c4)c2)c(ccc1)Cl	9676
+c1c(C)nc(-c2c(c[nH]n2)-c3cc(Br)c(F)cc3)cc1	9677
+c1cc(ccc1Cl)Cc2c(c(-c3ccnc(NC(=O)C)c3)sc2-c4nnc[nH]4)C#N	2338
+COc1cc(cc(OC)c1)-c2nnc(O)c3cc(ccc23)OC	1055
+CCOC(=O)C(C)c1n[nH]c(C)c1	9678
+N1C(=O)C(C)N2c3cc([N+]([O-])=O)ccc3SCC2=N1	2833
+N1C(=O)C(C)N2c3cc(c(C)cc3OCC2=N1)Br	2833
+c1(ccc(-c2c([nH]nc2N)C)cc1OCCOC)OCCOC	2014
+O(c1cccnc1NN)C	383
+c1c(cc(Br)c(F)c1)Cc2nnc(c3c2cccc3)O	3538
+c12OCCOc1c(C(NN)=O)cc(c2N)Cl	1094
+C(=O)(OCC)c1c2c([nH]n1)CCCCC2	2783
+n1c(c(nc(-c2cc([N+]([O-])=O)ccc2)n1)O)C(C)NC(C)=O	9679
+c1cc(ccc1C)Cc2nnc(c(O)n2)C(NC(C)=O)C	9680
+c1cc(ccc1-c2nnc(C(C)NC(C)=O)c(O)n2)[N+](=O)[O-]	9681
+c1c2c(O)nnc(-c3c(cccc3)OC)c2ccc1OC	1055
+c1(ccccc1C(NN)=O)I	898
+c1ccccc1-c2nn3ccc(OC)cc3c2-c4ccc(nn4)O	9682
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)-c3ccc(O)nn3	4850
+O=S(=O)(Cc1c(C(NN)=O)cccc1)N	296
+O=S(=O)(c1c(C(=O)NN)cnn1C)N	9683
+CCN(CC)S(=O)(=O)c1c(nc(cc1)NN)C	383
+O=S(=O)(c1cc(-c2c3cccnc3[nH]n2)[nH]c1)NCCN4CCOCC4	2410
+O=S(=O)(c1ccc(NN)c(Cl)c1)N	2092
+c1cc(ccc1S(=O)(=O)N)Nc2nnc(N)[nH]2	3024
+O=S(=O)(c1ccc(cc1F)NN)N	2092
+O=S(=O)(n1c2ccc(C(NN)=O)cc2c(I)c1)c3ccc(cc3)C	898
+O=C(C(c1ccccc1Cl)O)NN	355
+Cc1cc(cc(C)c1-c2c(n[nH]c2N)C)Cl	2014
+c1(C)nc2n3c(nc(C(NN)=O)c3)ccc2c(C)c1	2100
+n1c(O)c2c(cn1)nc(N)s2	9684
+c1c(cc2c(c3c(n[nH]c3)nc2)c1)Br	9685
+NNC(c1ccc(c(Cl)c1)O)=O	296
+c1(cc(Cl)c(cc1O)O)-c2c(c[nH]n2)-c3cc(ccc3)OCCCCC#N	3575
+c1(nc(cc(NN)n1)Cl)CC	1021
+c1(F)cc(cc(F)c1)NS(=O)(=O)c2cc3c(n[nH]c3N)nc2	1448
+c1(-c2cc(nc(NN)c2)F)nc(SC)ncc1	1606
+c1(c(OC)c(-c2c(n[nH]c2C)N)ccc1)OCCOC	2014
+[nH]1nc2c(cnc(SC)n2)c1	9686
+c1(C)c(ncc(c1)[N+](=O)[O-])NN	383
+n1ccnc(Cl)c1NN	2839
+Clc1c2c(n(C)nc2)nc(c1)-c3cccc4c(n[nH]c34)N	575
+c12c(n[nH]c1c(F)ccc2)N	575
+c1(c(c(ccc1C)Cl)Nc2ccccc2C(NN)=O)Cl	296
+c1(cc(C)cc(C)c1OCC(NN)=O)-c2occc2	561
+n1c(NN)cc(cc1)-c2ncccc2	383
+c1(c2cccc(Cl)c2c(nn1)Cc3ccc(c(C#N)c3)F)O	9687
+c1(cc(cc(C)c1-c2c3ccccc3c(nn2)O)C)C	1055
+c1(cccc(c1)-c2n[nH]c3nc(Cl)ncc23)Br	9688
+c1(ccc2[nH]c(c(Cc3c4c(cccc4)c(nn3)O)c2c1)C)Cl	1922
+c1(cccc(C(NN)=O)c1)N2C(=O)c3c(nc(SC)nc3)N4C(CCC4)C2	898
+c1cc(c(NN)nc1)-c2ccccn2	383
+c1(n(c2cc(C(=O)NN)cc(C)c2n1)Cc3ccc4c(CCc5c(C4=CC#N)cccc5)c3)CCC	898
+c1c2c3[nH]nc(C)c3c(O)nc2cc4CCCCc14	3093
+NNC(c1ncc2c(c1)cc(cc2)F)=O	1726
+c12c(c(O)nc3c1cc4ccccc4c3)c(C)n[nH]2	3093
+c1c(-c2cc3c(cc2)c(N)[nH]n3)nc(nc1N4CC(CCC4C)C(NCc5ccccc5F)=O)N	575
+c1c(-c2cncc(Nc3ccc(I)cc3F)c2C(NN)=O)c(ccc1)Cl	898
+NNC(c1cc(Br)c(Cl)cc1)=O	296
+s1ccc(c1)-c2c3ccccc3c(nn2)O	9689
+c1c(nn(Cc2n[nH]c3cc(nc(C)c23)C)c1C)C	9690
+c1(cc(cc(Cl)c1O)C(=O)NN)Cl	1094
+c1c2c(c(n[nH]2)N)c(F)cc1	575
+c1c(F)cc(cc1C(=O)c2ccc3c(c(n[nH]3)N)c2)F	575
+c1c(F)cc(cc1Cc2cc3c(cc2)n[nH]c3N)F	575
+c1c(I)cc(c(NC2=CC(=O)N(C)C=C2C(NN)=O)c1)F	9691
+c1c(OC)cc(cc1Nc2c(C(NN)=O)cccn2)OC	1872
+c1([nH]nc2c1cccc2F)-c3ccc(OC)cc3OC	1216
+c1c(cc2c(c1OC)[nH]nc2-c3cc(F)ccc3)C#N	1216
+c1c(cc2c(n[nH]c2c1)CC)Br	4851
+c1c(cc2c(n[nH]c2c1)CCC)Br	4851
+NNC(c1ccc(cc1OC)Br)=O	898
+NNC(=O)c1c(c(c2n(ccn2)c1)Cl)Nc3c(F)cc(cc3)Br	1325
+c12c3c(-c4c(C)c([N+]([O-])=O)ccc4)nnc(O)c3[nH]c1cc(cc2)Br	9692
+c1c(cc2c(c1)ncc(NN)n2)Br	1386
+c1(c(cc(nn1)Cl)C)NN	599
+c1(cc(OCc2ccc3ccccc3c2)cc(C(NN)=O)c1)[N+]([O-])=O	296
+N(c1nc2ccccc2nc1Cl)N	1386
+c1c2c(ccc1OC)nc3c(c2)c(n[nH]3)N	9693
+c1cc(ncc1Br)NN	2568
+[nH]1c(-c2n[nH]c3ncccc23)ccc1C(NC)=O	2410
+c12c(C(N(c3c(cccc3)C)C=C1)=O)c([nH]n2)N	4852
+c1cc(cc2nc(c(nc12)NN)OC)OC	1386
+c1ccccc1-c2c3c(nc(NN)c2)ccc(Br)c3	2572
+c1ccccc1-c2cc3c(N)n[nH]c3nc2	1448
+c1cc(ccc1)-c2nc(oc2-c3cnc(NN)cc3)C	383
+c1ccccc1-c2cnc(NN)cn2	2839
+c1cc(ccc1)-c2nnc(O)c3c2ccc(c3)OC	1055
+c1cc(ccc1)C(NC(Nc2nc(c3c(c2)n[nH]c3N)COC)=O)C	3094
+c1cc(ccc1)C=2c3c(C(N(C=2)c4ccccc4C)=O)c(n[nH]3)N	4852
+c1cc(ccc1)Cc2nnc(O)c3c2c(cc(OC)c3)OC	1922
+c1cc(ccc1)COCn2c(-c3ccc(c(OC4CC4)c3)OC(F)F)c(c5c(nncc25)O)Cc6c(F)cccc6	9694
+c1cc(ccc1)Nc2cc(-c3cc(c4c(c3)n[nH]c4N)F)nc(n2)N	9695
+c1cc(ccc1)OCc2c3c(cc(OC)cc3)c(O)nn2	1922
+c1cc(ccc1)Oc2ccc(cc2)-c3nc(cc4[nH]nc(N)c34)C5CCN(CC5)C(=O)OCc6ccccc6	3094
+c1cc(ccc1-c2c(n(c(-c3ccccn3)n2)C)I)C(=O)NN	296
+c1cc(ccc1-c2nc3c(cc2)c(n[nH]3)N)N	1448
+c1cc(ccc1-c2cnc(NN)nn2)C(OC)=O	4853
+c1cc(ccc1-c2nc(c(N)nc2)C(=O)NN)C(=O)N(C)C	4742
+c1cc(ccc1Oc2ccccc2)-c3nc(-c4ccc(cc4)NC(C)=O)cc5n[nH]c(c35)N	3094
+c1cc(ccc1-c2cn3c(ccc(c3)I)n2)-c4ccn[nH]4	927
+c1ccccc1-c2c(nc3c(c(ncc3)NN)c2)-c4ccc(cc4)C5OCCO5	9696
+c1cc(ccc1-c2ccn[nH]2)Br	927
+c1cc(ccc1Br)-c2c([nH]nc2C)-c3c(cc(c(c3)Cl)O)O	9697
+c1cc(ccc1-c2c3Cc4c(ccs4)-c3n[nH]2)Br	9698
+c1cc(ccc1C2=NNC(CC2)=O)CCOC(=O)C	2388
+c1cc(ccc1OCCCCCCOC)C(=O)NN	296
+c1cc(ccc1C(NN)=O)C#N	1094
+c1cc(ccc1[N+](=O)[O-])C=2c3cc4c(cc3CC(=O)NN=2)OCO4	9699
+c1cc(ccc1-c2nnc(O)c3cc(OC)ccc23)-c4nn(C)nn4	1055
+c1cc(ccc1C(Nc2cccc(C(=O)NN)c2)=O)C#N	296
+c1cc(ccc1C(NN)=O)I	296
+c1cc(ccc1-c2nnc(O)c3ncccc23)-n4ccnc4	9700
+c1cc(ccc1-c2nnc(c3cc(F)ccc23)O)F	1055
+c1cc(ccc1C2(CCN(CC2)C(=O)c3cc(c(cc3CC)C4CCC4)C(NN)=O)F)C#N	296
+c1cc(ccc1CCc2cc(C(OCC)=O)[nH]n2)OC	2889
+c1cc(ccc1C(NN)=O)CCCCCCCCCCCC	296
+c1cc(ccc1CN2C(c3cc(ccc3N=C2)CC(NN)=O)=O)OC	561
+c1cc(ccc1Cc2n(c(nn2)N)N)F	9701
+c1cnccc1-c2c(nccc2-c3ccc(cc3)Cl)NN	383
+c1cc(ccn1)-c2c(NN)nncc2-c3ccc(cc3)Cl	599
+c1cc(ccc1Cl)C=2CCC(=O)NN=2	2388
+c1cc(ccc1C2N(C(c3[nH]nc(C)c23)=O)c4cn5c(C)nnc5c(C)c4)Cl	9702
+c1cc(ccc1Cl)Nc2c3ncn(CCOCC)c3nc(NN)n2	1657
+c1cc(ccc1Cl)Nc2nc(nc3c2ncn3C)NN	1657
+c1cc(ccc1F)-c2cc([nH]n2)C(OCC)=O	4854
+c1cc(ccc1F)CC(=O)NN	561
+c1cc(ccc1NC(=O)c2c(cccc2)F)C(NN)=O	296
+c1cc(ccc1C(=O)NN)NC(CCCCC)=O	296
+c1cc(ccc1C(NN)=O)NC(CCc2ccc(c(c2)O)O)=O	296
+c1cc(ccc1NS(=O)(=O)C)-c2ccc(NN)nn2	599
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3nc4n[nH]c(N)c4nc3	9703
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3nc4c(c(C)[nH]n4)nc3	9704
+c1cc(ccc1-c2cc([nH]n2)C(OCC)=O)OC	4854
+c1cc(ccc1OC)-c2n[nH]c3c(cccc23)F	1216
+c1cc(ccc1OC)-c2[nH]nc3c(cccc23)Cl	1216
+c1cc(ccc1OC)-c2[nH]nc3c(C)cccc23	1216
+c1cc(ccc1OC)N2CCN(CC2)c3ccc(cc3)NC(=O)NN	9705
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)Nc3nnc(N)[nH]3	3024
+C1COCCN1CCOc2ccc(cc2)C=Cc3n[nH]c(c3)C=Cc4ccc5cc[nH]c5c4	9706
+c1cc(ccn1)C2C(=NNC(C2)=O)c3ccc4c(c3)cccc4	4105
+Cc1n[nH]c2c1c(O)nc3ccc(I)cc23	3093
+c12cc(NN)ccc1c(ncc2Br)N	2092
+c1cc(ccc1)-c2cc3c(ccc3)oc2CC(=O)NN	743
+c1ccccc1-c2nc(C3CN(CCO3)c4nc(N)nc(-c5ccc6c([nH]nc6N)c5)c4)[nH]c2	575
+c1cc(ccc1C=2N(c3ccc(cc3)Cl)C(=O)c4cnn(c4N=2)-c5ccccc5)-c6[nH]ncc6	927
+c1ccccc1C2C(CCCCC)=NNC2	9707
+c1ccccc1C(=O)N2Cc3c(nnc(NN)c3)CC2	599
+c1ccccc1CNC(=O)c2cnc(NN)cc2	383
+c1ccccc1COc2c(C#N)c(NN)ncc2	2568
+c1ccccc1COc2cc(NN)ncc2	383
+c1ccccc1COc2ccc(c(F)c2)-c3cc(N)[nH]n3	1941
+c1cc(ccc1OCc2ccccc2)-c3n[nH]c4c3ncc(c4)F	9708
+c1cc(ccc1)OCc2[nH]nc(C(=O)OCC)c2	2889
+c1ccccc1Oc2ncc(cn2)-c3[nH]nc(C(=O)OCC)c3	9709
+c1cc(ccc1)S(=O)(=O)c2c([nH]c3ccc(cc23)Cl)NN	9710
+Ic1ccnc(NN)c1Cl	383
+c1cc(ccn1)-c2c(c(NN)nc(n2)NC(C)(C)c3ccccc3)-c4ccc(cc4)F	1021
+c1cnccc1-c2nc3c(cc(nn3c2)NN)N4CCOCC4	599
+c1c(c(ccc1)F)-c2nnc(nc2)NN	4853
+c1ncncc1Cn2c3ncc(F)cc3c(C(NN)=N)n2	3554
+n1(C)ncc(-c2nnc(cc2)NN)c1	599
+n1(C)ncc(-c2cnc(c(c2)F)NN)c1	1606
+n1c(SC)nccc1-c2c(-c3occc3)nc4c(c(n[nH]4)N)c2	1448
+n1c(CCl)nc(c2cc(C)ccc12)NN	1021
+n1c(-n2ncc3c(ncnc23)NN)cccc1	9711
+NNC(=O)c1noc(c1)-c2cc(F)ccc2	2944
+C(C)OC(c1nn(c(CC)c1)C)=O	2202
+[nH]1c2c(c3c(cn2)cnn3C)cc1	9712
+c1(F)cccc(F)c1-c2c(N)n(nc2C)C	4855
+c1(F)cc(cc(F)c1-c2c(n(nc2C)C)N)OC	4855
+O=C1CC(=NN1C)c2c(cccc2)Cl	4856
+c1cc(ccc1-c2cncc3n(C)nc(N)c23)N	9713
+c1cc(ccc1-c2n(nc(c2)C)C)F	2514
+c1cc(ccc1Cl)Nc2c(Cl)cc(-c3n(nc(C)c3)C)cn2	9714
+C1(c2c(C(=O)N1CCc3cc(C(OCC)=O)nn3C)cccc2)=O	2202
+c1cc(ccc1)C=2CC(=O)N(C)N=2	4856
+c1(c(C(=O)NNC(C)=O)cc(Br)cn1)N	2716
+c1(cc-2c(cc1Br)CCc3nnc(C)n-23)F	1447
+c12c(C(=O)N(C1=O)C(c3cc4c(nc3C(=O)NNC(=O)C)c(Cl)ccc4)C)cccc2	4191
+n1c2CCc3c(cc(Cl)c(c3)Br)-n2c(C)n1	1447
+c1cc(ccc1)Oc2cc(Br)cnc2Nc3nc(cs3)CCC(=O)NNC(=O)C	1038
+c1cc(ccc1C(NNC(C)=O)=O)Oc2cc(cc(c2)OCc3ccccc3)C(OC)=O	2524
+CC(c1nnc2n1nc(cc2)Cl)c3c(cc4ncccc4c3F)F	2102
+c1cc(c(c2C(C(=O)Nc12)=NNC(=O)Cc3ccc(c(Cl)c3)O)Cl)C(=O)O	4857
+c1cc(ccc1-c2cc(n(n2)C(N)=O)N)F	9715
+C1N(Cc2n(c(-c3ccc(cn3)F)nn2)C1)C(=O)c4c(c(c(cc4)F)Cl)Cl	9716
+[N-]=[N+]=NC(c1noc(c1)-c2cc(F)ccc2)=O	2279
+c1cc(ccn1)-c2nnc(C(C)NC(c3sccc3)=O)[nH]2	9717
+Nc1sc(C(C)F)nn1	1087
+Fc1cc(cc(F)c1-c2nnc(N)s2)Br	9718
+c1ccccc1C(CNC(=O)C)=NNC(N)=S	9719
+c1ccccc1CC(Nc2nnc(CCCCc3nnc(N)s3)cc2)=O	3054
+c1cc(ccc1N2CCC(CC2)OC3CCCCC3)-c4sc(nn4)N	3904
+c1cc(ccc1Cl)OCC(=O)NNC(=S)N	9720
+NC(=S)NNC(c1ccc2c(c1)cc(nc2)F)=O	3046
+c1(cc(N(CC)C(C)=O)ccc1)-c2ccc3nnc(NC)n3n2	9721
+c1(cccc(C)c1Nc2c(nc3ccc(F)cn23)-c4c(C(=O)NNC(=S)NC)cccc4)C	3046
+c1cc(ccc1Cl)C(NNC(c2ccc(c(c2)O)C)=O)=O	1601
+N=1NC(OC=1c2cc3c(occ3)cc2)=S	1770
+[N-]=[N+]=NC(=O)c1ncc2c(c1)cc(cc2)F	2279
+C(C)OC(c1cc(-c2ccc(cn2)C)n(-c3cccnc3)n1)=O	9722
+c1cc2n(-c3cccnc3)ncc2cc1I	9723
+O=S1(=O)Nc2c(c(ccc2)Br)CN1C	9724
+O(CC)C(OCC)c1cc2c(c(N3CCN(CC3)S(=O)(=O)N)cnc2)o1	2694
+O=S1(=O)Nc2c(cccc2)N1c3c(C)cc(cc3)F	3095
+c1cc(ccc1COC2CN(CC2)S(=O)(=O)N)OC	2694
+c1cc(ccc1F)CN2CC(N(CC2C)C(COc3c(CC(NS(=O)(=O)N)=O)cc(Cl)cc3)=O)C	344
+O=S1(=O)N(c2ccccc2N1)c3c(C)cccc3	3095
+c1(Cl)cc(Br)c(O)nc1	3021
+c1ccccc1Oc2cc(cnc2N)Cl	706
+Nc1cc(cc(Br)c1[N+]([O-])=O)Br	9725
+c1cc(ccc1-c2cccnc2N)O	89
+c1cc(ccc1)Oc2c(nccc2)N	706
+c1cc(ccc1F)-c2cccnc2N	89
+N1=CN(C(c2scc(Br)c12)=O)C	9726
+Nc1c(Br)csc1C(=O)O	1
+CC1(C)Cc2c(O1)cc(cc2-c3cnc(N)c(c3C)C#N)Cl	89
+c1cc(ccc1)Oc2c(C#N)c(N)ccc2	46
+c1cc(ccn1)C(NC2CCC(CC2)COc3cccc(N)c3C#N)=O	57
+n1nn[nH]c1-c2c(N)nc(Cl)nc2	4335
+c1cc(ccc1Nc2nc(c(C#N)cn2)N)C(NCCCn3ccnc3)=O	55
+c1(NC(C)=O)c(C(=O)C)cc(c(C)c1)Br	26
+COc1c(cc2c(nncc2O)c1)CC	4858
+O=C(OCC)C(=O)Nc1c(C(=O)N)cc(C)cc1	994
+c1(O)nc(COCCc2cccc(F)c2)nc3c1cncn3	9727
+n1c([nH]c2ncccc12)-c3cc(Br)cnc3N	9728
+Nc1c(cc(C#N)cc1)C(=O)O	1
+c1c(C)cc(cc1CC(Nc2c(C(OC)=O)cc(c(Cl)c2)[N+](=O)[O-])=O)C	26
+Nc1c(CO)cnc(Cl)c1	295
+Fc1cccc(F)c1-c2c(F)cc(c(C(=O)OC)n2)N	119
+c1(-c2csc(n2)-c3cncnc3N)cc([N+]([O-])=O)ccc1	9729
+Nc1cc(cc(C)c1N)Br	0
+N(O)C(c1ccc(C)c(N)c1)=N	181
+c1cccn2c1ncc2C(Nc3c(C)ccc(c3)C#N)=O	466
+c1(C)c(C(Nc2c(C)c(C(OC)=O)ccc2C)=O)cc(cc1)Br	67
+n1c(Nc2c(C)ccc(CO)c2)ccnc1Cl	73
+c1(C)c(cc(cc1)F)NC(C)=O	26
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5cc([N+]([O-])=O)ccc5C)=O)n2	50
+n1c(Nc2c(C)ccc([N+]([O-])=O)c2)ccnc1Cl	73
+c1c(c(c(C)cc1)N)C(Nc2cccc(Br)c2C)=O	67
+Cc1c2c(c(ncn2)O)ccc1	1116
+c1(c(c(ccc1)O)NC=2C(C(=O)C=2OCC)=O)C	1771
+c1c(Br)c(Cl)ccc1C(=O)Nc2c(cccc2C)O	50
+N1c2c(C)cccc2OC1=O	3096
+Cc1c(O)c(ccc1)Oc2c(F)cccc2	956
+c1(ccc(Cl)c(-c2c(N)nc3c(c2)cncc3)c1Cl)[N+]([O-])=O	9730
+O=Cc1cc(Br)c(Cl)cc1N	39
+Nc1c(C=O)cnc(Cl)c1	200
+c1ccccc1COCCCC(CC(Nc2c(Cl)cc(cc2)C)=O)c3c(C4CC4)c(-c5cnc(s5)CC(C)C)on3	33
+c1ccccc1N2N(C(=C(C(Nc3cc(F)c(O)cc3Cl)=O)C2=O)C)C	1349
+n1(C(c2cc(c(N)c3OCOc23)Cl)=O)ccnc1	4859
+c1ccccc1COC(=O)Nc2ccc(C(=O)OC)cc2Cl	90
+Nc1cc(ccn1)Oc2ccc(N)c(Cl)c2	242
+c1(cc2c(nccc2Oc3ccc(N)c(Cl)c3)cc1OCCOC)C(=O)OC	242
+c1(c(ccc(Oc2ccnc3c2cc(c(OC)c3)OC)c1)N)Cl	242
+Nc1c(Cl)cc(cc1)Oc2c3cc(C#N)c(OCC4CO4)cc3ncc2	267
+c12c(C(OC(c3cc(Cl)nn3-c4c(Cl)cccn4)=N1)=O)cc(cc2Cl)I	2241
+c12c(NC(S1)=S)cc(C#N)cc2	9731
+Nc1c(c(ccc1Cl)CN)Cl	162
+c1(cccc(F)c1N2C(C=CC(C(Nc3c(Cl)ccc(C(O)=O)c3)=O)=C2)=O)F	9732
+O=S(=O)(Nc1cc(ccc1Cl)CO)c2ccc(c(c2)OC)OC	69
+c1cc(ccc1F)Nc2cc(F)ccc2Cl	230
+Nc1c(Cl)ccc(C(=O)O)c1	1
+c1c(CO)c(N)c(Cl)cc1	98
+c1(F)cccc(F)c1COc2nc(C)cnc2N	799
+O=S(=O)(Nc1cc(Br)cnc1Cl)c2ccccc2	322
+Nc1cc(N)cnc1Cl	13
+CC(Nc1c(Cl)nn(-c2cccnc2)c1)=O	4708
+c1([N+]([O-])=O)cc2c(cc1F)ncnc2Nc3c(F)c(c(Cl)cc3)Cl	73
+Nc1c(c(ccc1Cl)CN)F	162
+O=S(=O)(C)Nc1c(F)cc(C=C)cc1	80
+c1cnc(C)cc1Oc2cc(F)c(N)cc2	242
+O=S(=O)(Nc1c(ccc([N+](=O)[O-])c1)F)C	80
+c12c(NC(S1)=S)cc([N+]([O-])=O)cc2	9733
+Cc1nc2ccc(c(c2[nH]1)C)[N+]([O-])=O	442
+c12c(nc[nH]1)c(C)c(cc2)[N+]([O-])=O	631
+c12c(nc[nH]1)c(Cl)c(cc2)Br	631
+C(c1ccc2[nH]nnc2c1C)(=O)OC	1714
+c1c(c(c2NC(C(=O)Nc2c1)=O)C)C	2966
+c12c(nc[nH]1)c(c(cc2)Br)C	631
+Cc1nc2c(c(cc([N+]([O-])=O)c2)Br)[nH]1	442
+c1cc2c(n(C)nn2)c3c1NC(C(=O)N3)=O	9734
+c1([nH]c2cc(c(Cl)cc2n1)Cl)-c3c(Cl)nccc3	4860
+COc1ccc(-c2nc3c(cc(c(Cl)c3)Cl)[nH]2)cc1[N+](=O)[O-]	622
+c1ccccc1COc2cc(OC)c(-c3nc4nc(ncc4[nH]3)Cl)cc2	4672
+Nc1c(NC(C)=O)c(Br)c(c(c1)C(=O)O)O	1
+COc1cc(cc(OC)c1)C2=Nc3c(nc(Cl)nc3)N(C)C2=O	9735
+c1c(c(-c2nc3c(n2CCO)nc(nc3Cl)C)ccc1)Cl	4168
+N1C(=S)Oc2c1ccnc2Br	9736
+Oc1c(cccc1NN=C2C(=O)N(c3ccc4CCCc4c3)N=C2C)-c5ccc(C(=O)O)o5	4436
+CCOC(=O)c1c(C)nc2c(O)cc(F)cn12	1316
+c1cc(ccn1)C(=O)Nc2c(nc(nc2)Cl)O	4861
+Nc1c(N)c(c(cc1)Br)C	0
+Nc1c([N+]([O-])=O)c(C)cc(F)c1	4862
+O=S(=O)(Nc1c(F)c(ccc1)C(=O)OC)c2c(F)ccc(c2)F	69
+c12[nH]c(nc1cc(cc2C)Br)CCC	791
+c1cc(ccc1)CCNC(c2c(N)ccnc2Cl)=O	56
+Nc1c(c(Cl)ncc1)C(=O)O	1
+c12cnc(Cl)c(F)c1c3c(nccc3)[nH]2	4863
+c1c2NC(=O)Nc2c(F)cc1	2280
+c1(C(=O)O)cc(c(c([N+]([O-])=O)c1)C)O	606
+Nc1c(N)c(c(C(=O)OC)cc1)C	0
+C1CC1c2c(c(Cl)c(N)cc2F)F	365
+c1c(ccc(Oc2c(c(N)ccc2Br)[N+]([O-])=O)c1F)F	46
+C1CC1N(c2nc(Nc3c(Cl)c(C(CCO)C)cc(C#N)c3)nn4c(C#N)cnc24)Cc5ccc(cc5)OC	9737
+Nc1cc(cc(c1I)OCC)CO	98
+Nc1c(Cl)ccc(O)c1C	196
+O=S(=O)(Nc1cc(c2C3CC3COc2c1C(OC)=O)F)c4c(Br)cc(F)cc4	69
+O=S(=O)(c1c(CC2CN3CCC2CC3)cc(F)cc1)Nc4ccc5c(c4C(=O)OC)OCC6CC56	69
+c1ccccc1COC(=O)NC(NC(=O)OCc2ccccc2)=Nc3cc(c4c(c3C)nc[nH]4)C	9738
+n1cc(c(Nc2c(c3cc[nH]c3cc2)C)c(C#N)c1)I	179
+Nc1c(CO)cc(Br)c(Cl)c1	49
+c1(c(N)cc(Cl)c(c1)Br)O	5
+c1(NCc2ccc3c(oc(SC)n3)c2)c(cc(Br)c(Cl)c1)[N+]([O-])=O	208
+Nc1c(C(=O)O)cc(Br)c2CCCN(C)c12	1
+O=S(=O)(NC1CC1)c2cccc(-c3cnc(N)c(c3)C(=O)N(C)OC)c2	89
+COCC#Cc1cc(F)c(Nc2c(F)c(ccc2C(=O)O)F)cc1	275
+c1ccccc1COC(c2cc(ccc2N)C#N)=O	470
+c1cc(ccc1)CSc2cc(C#N)ccc2N	1128
+c1cc(ccc1-c2cncc(n2)Nc3ccc(C(=O)O)cc3OC)O	4864
+O=C(c1ccccc1Sc2cc(ccc2N)C(=O)O)O	826
+O=S(=O)(c1ccccc1)Nc2c(C(=O)O)cc(cc2)CC	69
+c1ccccc1COC(Nc2c(cc(CO)cc2F)CCCC)=O	90
+Cc1c(Cl)cc(N)c(N)n1	13
+c12[nH]c(C)cc1cc(cn2)F	3840
+c1(c(N)cc(I)c(Cl)c1)N	0
+c1c(C)c(c(cc1-c2nc(O)c3c(n2)ccc([N+]([O-])=O)c3)C)O	748
+c1(c(Cl)cc(cc1)CNC(c2cc([N+]([O-])=O)ccc2N)=O)Cl	14
+c1(c(N)cc(C)c(c1)Br)O	5
+c1([N+]([O-])=O)cc(N)c(OC)cc1F	31
+O=S(=O)(C)Nc1cc(ccc1Nc2nc(Nc3ccc(cc3OC)OCCO)ncc2Cl)OC	55
+C1(=Nc2c(C)cc(cc2C(O1)=O)I)c3cc(nn3-c4ncccc4Cl)Cl	2241
+c1c(Br)cc([N+]([O-])=O)cc1F	480
+Nc1c(cc(cc1[N+]([O-])=O)F)C(=O)N	1079
+Nc1c(N)c(cc(F)c1)C(=O)N	0
+c1c2c(nc(c1)O)cc(F)cc2	9739
+c12c(ccc(F)c1cccn2)[N+]([O-])=O	4865
+c1ccccc1C(COc2cc(N)c(cc2)[N+]([O-])=O)N	57
+N1(C(Nc2c(ccc(OC)c2)CC1)=O)C	3764
+C(=O)(c1ccc([N+]([O-])=O)cc1NC(=O)Cc2ccc(c(c2)Cl)Cl)O	33
+c1([N+]([O-])=O)ccc(CC)c(c1)O	606
+c1ccccc1-c2n(-c3cc(ccc3O)[N+]([O-])=O)cc4N(C)C(N(C(=O)c24)C)=O	4866
+c1([N+]([O-])=O)ccc2c(NC(O2)=O)c1	3096
+Clc1c2c(c(ncn2)O)ccc1	1116
+c1cc(ccc1Cl)Oc2cc(CNC(c3c(N)nccc3)=O)ccc2	56
+c1cc(ccc1)N2C(Nc3ncccc3C2=O)=O	9740
+Nc1c(nc(NC)nc1)N	193
+Clc1cccc(Cl)c1C(Nc2c(n[nH]c2)C(OC)=O)=O	3452
+c1cc(ccc1C(Nc2c[nH]nc2C(OC)=O)=O)C	1404
+c1cc(ccc1-c2c(ccc(OC)n2)N)N(C)C	119
+Cc1[nH]c2c(n1)cc(c(-c3occc3)n2)-c4ccncn4	2684
+c1cc(ccc1)COC(N(C(C)C(=O)Nc2ccc(nc2O)Br)C)=O	469
+c1(Cl)nc(C)nc2nc[nH]c12	9741
+n1n2c(c(N)cc(C(=O)OC)c2)nc1-c3cccs3	9742
+c1c(C(=O)Nc2c(ncnc2Cl)Nc3ccnc(Cl)c3)cc(F)cc1	3097
+Clc1cccc(Cl)c1Cc2[nH]c3c(c(ncn3)Cl)n2	9743
+c1(cccc(Cl)c1Nc2[nH]c3c(Cl)ncnc3n2)Cl	9744
+n1(cnc2c1ncnc2Cl)C3CC(CO)OC3	9745
+c1ccccc1COC(Nc2cccc3cc[nH]c23)=O	950
+c1cc(ccc1)OCc2cc(nc3sc(c(N)c23)C(=O)N)C	20
+O=S(=O)(CCCCCCCCCCCCCCCC)Nc1cccc2c1cc(cc2)O	80
+N(c1cccc2cnc(cc12)COC)=C=S	9746
+c1ccccc1OC(Nc2noc3c2cccc3)=O	278
+c1cc(ccc1)Cn2ncc(c2)C(Nc3c4cc(Br)cnc4[nH]c3)=O	4371
+c1(nc2c(o1)ccc(c2)C(C)C(Nc3c4cccc(F)c4ncc3)=O)-c5c(Cl)cccc5F	33
+c1cc(ccc1OCc2nccc(c2)Cl)C(=O)Nc3cc(ccc3C)-c4ncc[nH]4	67
+Nc1cc(ccn1)-c2c(nc3cccnn23)-c4cc(c(cc4)F)C	1288
+c1cc(ccc1)OC(=O)Nc2cc(-c3n(nnn3)C)cc(CC)c2	90
+O=S(=O)(Nc1c(ncc(c1)Br)N)C	1374
+c1(-c2nc3c([nH]2)ncc(c3)Br)c(Cl)ccc([N+]([O-])=O)c1	2245
+c1cc(ccc1CNc2cc(c(c(c2)N3CCCC3=O)F)C(OC)=O)OC	208
+O=S(=O)(C)Nc1cc(c(cc1)Br)C(=O)OC	80
+c1c(-c2c(C(OC)=O)cc(N)cc2)c(ccc1)Br	11
+c1ccccc1COC(NC(C(Nc2ccc(O)c(C(OC)=O)c2)=O)CC(C)C)=O	33
+Nc1cc(C)c(CCC(OC)=O)cc1-c2cc3cnn(C)c3cc2	11
+c1cc(ccc1C#N)Nc2cc(c(Br)cc2)C	275
+c1cc(ccc1-c2ccc(N)cc2C)C(O)=O	11
+c1c2c(nccc2)cc(C)c1Br	9747
+c1c(C)c(Br)cc(N)c1N	0
+O=C(Nc1c(ccc(C(OC)=O)c1)C)c2cc3cc(OC)c(OC)cc3nc2O	9748
+O(c1ccnc(c1)Cl)c2c(ccc(C(Nc3c(F)ccc(c3)C)=O)c2)F	4867
+c1ccccc1C=Nc2c(ccc(C)c2)O	457
+c1cc(ccc1Br)S(=O)(=O)Nc2onc(c2)C	4506
+c1cc(ccc1)OC(Nc2cc(no2)C)=O	4799
+N1C(=O)C(CCCC1)Nc2cc(c(cc2)C#N)Nc3cc(C)ns3	2170
+c1c2c([nH]cc2CC(C(N)=O)Nc3ccc(c(Nc4cc(ns4)C)c3)C#N)ccc1	2170
+c1ccccc1C(C(=O)N)Nc2ccc(C#N)c(c2)Nc3snc(C)c3	2170
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(c3)-c4cccc(C(=O)NC(C)(C)C(Nc5noc(C)c5)=O)c4)o2	142
+n1n(CCCc2ncc(cc2C)Br)c3ncc(cc3n1)Cc4cnccc4	9749
+Nc1cc(Cl)c(cc1C#N)C	180
+O=S(=O)(Nc1cc(cnc1Br)Cl)c2cc(C)c(cc2)Cl	322
+O=S(=O)(Nc1cc(cnc1Br)Cl)c2ccc(c(CC)c2)Cl	322
+n1c(C(=O)OC)c(c(N)c(Cl)c1Cl)Br	395
+Nc1cc(Cl)nc(Cl)c1N	13
+C(COc1nc(Cl)cc(N)c1[N+](=O)[O-])O	91
+c1(C)cccc(C)c1CNc2c(c(nc(Cl)c2)Cl)[N+]([O-])=O	1731
+c12c(n(cn1)C)cc(nc2)Cl	9750
+c1(C)cc(Nc2ncc(c(N)c2)[N+]([O-])=O)nc(C)n1	346
+Nc1cc(F)c(C#N)c(Cl)c1	180
+c12OCOc1cc3C4(c5ccccc5N(C4=O)Cc6[nH]c7cc(ccc7n6)F)COc3c2	442
+S(C)c1cc(N)c(cc1Cl)Br	1524
+c1cc(ccc1)OC(NC#N)=Nc2cc(c(Cl)nc2)N	9751
+O=S(=O)(Nc1ccc(C(O)=O)c(c1)O)c2cc(c(s2)Cl)Br	1063
+O=S(=O)(c1cc(Cl)sc1Cl)Nc2ccc(C(O)=O)c(c2)O	4869
+O=S(=O)(c1cccc(c1)Br)Nc2cc(c(C(O)=O)cc2)O	69
+c1cc(ccc1-c2ccc(cc2)S(=O)(=O)OCC(Nc3cc(c(C(=O)O)cc3)O)=O)Cl	26
+O=C(O)c1cc(N)c(N)cc1O	0
+COc1c(C)ccc(c1)O	477
+NC(=S)Nc1cc(OC)c(Cl)cc1	3098
+c1(cc2c(nc(c(c2)CNc3cc(OC)c(cc3)C#N)O)cc1O)Cl	2116
+c1cc(ccc1)CN2CC(OCC2)CCCNC(c3cc(Cl)c(N)cc3OC)=O	14
+c1cc(ccc1-c2cncc(Nc3c(Cl)cc(c(OC)c3)C(=O)O)n2)O	4864
+Nc1cc(OC)ccc1CO	49
+O=Cc1ccc(OC)cc1N	39
+c1cc(ccc1)COc2ccc(c(n2)C)Nc3cc(OC)ccc3Cl	1674
+c1cc(ccn1)C(Nc2cc(OC)ccc2O)=O	50
+c12c(ncnc1cc(OCC#C)c(OC)c2)O	4870
+c1cc(ccc1Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O)C#N	2175
+c1cc(ccc1S(=O)(=O)C)Cc2c(CC)nc3c(c(ccc3Cl)OCC(=O)OC)c2O	2175
+c1cc(ccc1Cc2c(CC)nc3c(c2O)c(OCC(=O)OC)ccc3F)-n4cccn4	2175
+CN(C)C=Nc1cc(c(cc1C#N)OC)OCCOC	2275
+CSc1ccc(N)c(N)c1	0
+n1cc(cnc1Nc2cc([N+]([O-])=O)c(cc2)C)Br	55
+c1c(c(C)ccc1O)C#N	606
+O=C1c2c(cccc2)C(=O)N1c3ccc(c(F)c3)C	668
+c1ccccc1C(Nc2ccc(c(O)c2)C)=O	50
+Nc1c(Cl)cc(cc1)CO	3099
+Clc1ccc(cc1F)Nc2c([N+]([O-])=O)cccn2	201
+n1ccc(nc1Nc2cc(c(Cl)cc2)O)N	55
+C1CC1c2ccc(N)cc2C#N	365
+COc1c(ccc(NC(C)=O)c1)CC	26
+Clc1ccc(CC)c([N+]([O-])=O)c1	1030
+c1cc(ccc1Oc2c(ccc(N)c2)[N+](=O)[O-])C=C	46
+C1CC1c2c(cc(c(Cl)c2)OC)N	365
+Nc1cc(cc(c1N)Br)Br	0
+c1c(c(c(nc1)OC)-c2nc3c(c(C)cc(c3)Br)[nH]2)I	1637
+c12c(c(OC)cc(c1)C#N)[nH]c(n2)Nc3ccccc3Br	1701
+c1(c(c(N)cc(Br)c1Cl)C(=O)OC)F	196
+O=Cc1cc(N)c(c(c1)OCC)I	39
+O=S(=O)(c1c([N+](=O)[O-])cc(cc1)C)Nc2cc(OC)cc3cccnc23	322
+c1cc(ccc1Cc2c(c3c(nc2C)c(Cl)ccc3O)C)Cl	9752
+c1(-c2[nH]c3ccc(C#N)cc3n2)c(Cl)ccc([N+]([O-])=O)c1	622
+c12[nH]cnc1ccc(C#N)c2	631
+c1cc(ccn1)-c2nc3c(o2)ccc(CCC)c3	1328
+c1(ccc(cc1C)-c2nc3cccnn3c2-c4ccnc(NC(c5cc(nc(c5)C)Cl)=O)c4)F	650
+CC(C)CCNC(=O)n1c2c(cc(Oc3cc(ncc3)N)cc2)cc1	2121
+Nc1cc(C(=O)O)ncc1[N+](=O)[O-]	1
+c1c(C(OC)=O)ncc(N)c1N	13
+c1ccccc1COC(N2CCCC(C2)C(Nc3cc(-c4ccccc4OC)ncn3)=O)=O	195
+c1c(NC(C)=O)ccc2OCc3n(cc(C(=O)OC)n3)-c12	26
+Nc1cc2c(cc1F)C3=CC(=O)CCC3(CCCC)C2	2992
+c1(ccc2N(C(Cc2c1)=O)C(CF)C)NCC(O)C(OC)=O	1967
+c1cc(ccc1Nc2c3c(-c4ccncc4)cn(c3nc(Nc5cc6CCC(=O)N(c6cc5)C)n2)S(=O)(=O)c7ccc(cc7)C)F	55
+c1ccccc1Cc2cc(C(NC3C(=O)N(C)c4cc(N)ccc4OC3)=O)no2	712
+c12c(cc(Nc3ncc(c(Nc4c(cccc4)C(=O)NC)n3)Cl)cc1)OCCNC2=O	55
+c1cc(ccc1C2C(=C(NC(=O)C2)C)C(=O)Nc3ccc4c(c(Cl)n[nH]4)c3)F	4662
+c1ccccc1COC(Nc2ccc3cc[nH]c3c2)=O	90
+c1c(NC(C)=O)c(cc2C3=CC(=O)CCC3(CCCC)Cc12)F	26
+c12c(Cl)ccnc1[nH]c3ccc(cc23)NC=O	753
+O=S(=O)(Nc1ccc2c(cc(cc2)Oc3ccnc4cc(c(OC)cc34)OC)c1)c5cc(ccc5)C	69
+CC(Nc1cc2ccc(c(OC)c2c3cc(C)ccc13)OC)=O	26
+c12c(ccnc1Nc3cc4cccnc4cc3)c(Br)ccc2	201
+n1c2c(ccc1)cc(N=C=S)cc2	1034
+c1cc(ccc1C(Nc2cc3ncccc3cc2)=O)-c4c(cccn4)Cl	67
+c1cc(ccc1-c2ccc(cc2Cl)N)Cl	11
+Fc1cccc(F)c1-c2nc(c(N)cc2)C(=O)OC	119
+Nc1c(nc(cc1)Br)O	104
+O=S(=O)(C)Nc1ccc(c(c1)Cl)C#N	80
+Nc1ccc(c2CCOc12)C(=O)O	1
+n1ccc(C)cc1NC(c2ccc(N)c([N+]([O-])=O)c2)=O	330
+c1ccccc1COC(=O)c2c(cccc2)C(=O)c3ccc(c(c3)[N+]([O-])=O)N	470
+C(=O)(c1c(c(ccc1C)O)C)O	606
+c1c(NN)ccc(C)c1Cl	427
+Cc1ccc(cc1I)NN	427
+Cc1c(c(c(cc1)O)C)[N+]([O-])=O	606
+C(C#N)c1cc(N)c(cc1)N	0
+O=S1(=O)COCCN1c2ccc(c(c2)Cl)C(Nc3ccc(Cl)c(-c4ccc5ncccc5n4)c3)=O	67
+O=S(=O)(Nc1c(Cl)c(c(cc1)Cl)C(=O)O)CCC	80
+O=S(=O)(c1cc(C(Nc2ccc(c(Br)c2)F)=O)c(C)s1)Cl	1899
+c1c(ncc2c1c(ncn2)Nc3ccc(F)c(Br)c3)F	2212
+c1cc(ccc1C(Nc2cc(c(F)cc2)Br)=O)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl	67
+c1c(ccc(F)c1Cl)NC=O	753
+N#Cc1c(c2c(nc1)c(Cl)cc(c2)[N+]([O-])=O)Nc3cc(Cl)c(cc3)F	179
+C(Oc1noc(C(Nc2cc(Cl)c(F)cc2)=O)c1)CCBr	768
+c1(c([N+]([O-])=O)cc2c(Nc3cc(Cl)c(F)cc3)c(C#N)cnc2c1)OC	179
+c1ccccc1-c2cc3c(sc([N+]([O-])=O)c3Nc4ccc(F)c(c4)Cl)cc2	9753
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3CCCN(C3=O)c4c(Cl)cc(N)cc4	883
+c1ccccc1C#Cc2cc(ccc2N)[N+]([O-])=O	455
+CN(C)C=Nc1c(C#N)cc(cc1)[N+]([O-])=O	2275
+c1cc(ccc1N(CCCCCCO)CC)N=Nc2c(cc(cc2)[N+]([O-])=O)C#N	725
+C(O)c1ccc(N)cc1Cl	49
+c1(Nc2ccc(cc2C#N)F)c(Cl)cnc(Cl)c1	2272
+c1cc(ccc1)C(=O)c2c(N)ccc(c2)F	705
+c1c(ncnc1NC)Nc2c([N+]([O-])=O)cc(C(=O)OC)cc2	73
+c1(C=O)cc(c(cc1)Oc2ccc(N)c([N+]([O-])=O)c2)Cl	46
+Clc1cccc(Cl)c1COc2cc(c(cc2)N)[N+](=O)[O-]	22
+c1(ccccc1COc2cc([N+]([O-])=O)c(N)cc2)C(OC)=O	22
+CSCOc1ccc(N)c(N)c1	0
+c1cc2c(c3NC(Nc13)=O)OC(CO)CC2	2280
+c1cc(c(c2c1cccc2)[N+](=O)[O-])Nc3cccc(C#N)c3	230
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(c3nc4n(c3cc2)CCC4)C(OC)=O	69
+N(c1ccc2c(nco2)c1C)=C=S	1695
+N(=C=S)c1ccc2c(nco2)c1CC	1695
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(c3c(n4CCCc4c3)cc2)C(=O)OC	69
+c1c2c(cc(N)c1)c(c3cc(N)ccc3n2)O	0
+c1(c(c(ccc1)O)C)Br	606
+Nc1c(C(Nc2cccc(c2C)Br)=O)ccc(F)c1	1768
+c1c(c([N+]([O-])=O)c(C(Nc2cccc(c2C)Br)=O)cc1F)F	67
+c1cccc(N)c1C(Nc2cccc(Br)c2C)=O	67
+c1(cc(ccc1Nc2c(c(C(=O)OC)ccc2)C)F)[N+]([O-])=O	230
+c1cc(ccc1)C(Nc2c(Cl)c(ccc2)C)=O	50
+C1CN(CCN1C(C)C)c2ccc(cc2)-c3nc4cccc(Cl)c4c(n3)O	748
+c1(cccc(C(Nc2c(C(O)=O)c(ccc2)Cl)=O)c1)F	50
+O(C)c1ccccc1NC(=O)c2c(cccc2Cl)N	67
+Clc1c(SCCCCl)c(ccc1)NN	427
+O=Cc1c(N)cccc1F	39
+O=S(=O)(c1cc2c(Nc3cccc(c3F)F)c(C(N)=O)nnc2c(c1)C)C	9754
+c1ccccc1COc2cc3ncnc(c3cc2)Nc4[nH]nc(c4)CC(Nc5c(c(F)ccc5)F)=O	33
+c1cc(ccc1Oc2ccc(cc2)CNc3cccc([N+]([O-])=O)c3C)CCC(O)=O	208
+CC(C)(c1c(N)cccc1OC)O	1033
+Nc1c(C(=O)O)c(F)ccc1O	9755
+Nc1cccc(c1CO)OC	49
+Nc1cccc(c1C)C(=C)C	1707
+O=Cc1c(N)cccc1OC	39
+O=C(c1c2c([nH]c(-c3c(F)cc(-c4cc(ccc4)OC)cc3)n2)ccc1)O	622
+Nc1cccc(OC)c1N	0
+Nc1cc([N+]([O-])=O)cc2CCOc12	31
+Nc1cccc2NCC(Cc12)O	15
+c12c(cccc1NC(N2)=O)NC=3C(C(=O)C=3OCC)=O	1771
+O=S(=O)(Nc1cccc2c(c[nH]c12)C3(CC)c4ccc(cc4CC3)F)CC	1374
+O=S(=O)(Nc1c2ccc(nc2ccc1)Cl)c3ccc(cc3)F	69
+N(Cc1cnccc1)c2cccc3ccc(Cl)nc23	9756
+O=S(=O)(c1cccc(C=CC(OC)=O)c1)Nc2c3c(ccc2)cccc3	69
+n1[nH]c(nn1)-c2ccccc2Sc3ccccc3N	424
+CCOC(=O)c1c(C)n2c(c(N)ccc2)n1	9757
+c1cc(ccc1-c2nc3c(nccc3)nc2-c4ccc(cc4)C)C	9758
+C(C)OC(c1nc2c(nccc2)n1-c3ccc(c(F)c3)C#N)=O	9759
+c1ccccc1COC(=O)Nc2cccnc2O	950
+c1(cccnc1OCC(C)F)Nc2c3c(C)c(C(=O)OC)sc3ncn2	4359
+Nc1c(I)cnc(Cl)c1Br	583
+c1cc(ccc1-c2nc3ccnc(c3cc2-c4ccccc4)Cl)C5OCCO5	9760
+c1cc(ccc1F)N2C(=O)N=C(C=C2)N	9761
+c1(cnccc1NC(c2cnc3c(Br)cc(Cl)nn23)=O)F	466
+c1c(c(ccc1OC)CNc2ccncn2)OC	811
+c1cc(ccc1C(F)(F)C(Nc2c(scc2)C(=O)N)=O)F	4872
+C1CC(CCC12OCCO2)Nc3ccsc3C(OC)=O	2554
+c1cc(ccc1S(=O)(=O)Nc2ccsc2C(OC)=O)Br	3074
+c1ccccc1-c2ccc(cc2)C(=O)Nc3c(C(=O)OC)scc3	3453
+c1cc(ccc1)S(=O)(=O)Nc2ccsc2C(OC)=O	3074
+c1ccc2c(c1)C(=O)N(C2=O)C3C4C(C(CO4)Nc5nc(ncc5Cl)Nc6cn(nc6)C)OC3	486
+O=S(=O)(c1cnc(c(Br)c1)Cl)Nc2cncc(Cl)c2O	9762
+c1(c(F)c(ccc1)Nc2ccncc2NC(c3cccnc3F)=O)F	3052
+c1([nH]nc(NC(=O)C)c1)C	195
+c1c(F)cc(cc1C2=CC(=O)Nc3cc(nn23)C)F	2950
+c1(c(F)cc(cn1)F)CNc2nc(Nc3n[nH]c(C)c3)c(cc2[N+]([O-])=O)F	4873
+O=S(=O)(c1nc(c(c(Nc2cc(n[nH]2)C)n1)F)Cl)C	349
+c1cc(cc(OC)c1F)C(c2nc(c3ccccc3n2)Nc4n[nH]c(C)c4)=O	349
+c1cc(ccc1F)C(=O)c2nc3sccc3c(n2)Nc4[nH]nc(c4)C	9763
+c1cc(ccc1C(c2nc3c(c(Nc4[nH]nc(C)c4)n2)cccc3)=O)F	349
+c1cc(ccc1F)C(Nc2c(cc(F)c(n2)Nc3cc([nH]n3)C)[N+](=O)[O-])C	4873
+FC(F)(c1nc(Nc2[nH]nc(c2)C)c3c(ccs3)n1)c4ccc(cc4)F	9764
+O=S(=O)(N1C2Cc3c(cnc4cc(nn34)C)C1CCC2)c5ccc(cc5)Cl	9765
+n1c(ccnc1Cl)Nc2cc(C)[nH]n2	349
+n1c(c2cccnc2nc1Cl)Nc3cc(C)[nH]n3	9766
+c12cc(cc(OCCCl)c1c(Nc3cc([nH]n3)CC(=O)O)ncn2)OC	349
+c1c2c(ccc1OCCCCl)c(Nc3cc([nH]n3)CC(=O)O)ncn2	349
+[nH]1nc(cc1)NC(=O)C	195
+C1C(=Nc2ccnn2C1=O)C(=O)OC	9767
+n1(-c2c(Cl)nccc2)nc(cc1)N	9768
+c1(F)cccc(F)c1C(=O)Nc2[nH]ncc2	330
+c12c(cccc1)nc(Nc3[nH]ncc3)n2-c4nc(nc(N)n4)C	9769
+c1cc(ccc1)COC(N2CCC=3C(CC2)C(=O)n4c(ccn4)N=3)=O	1085
+c1ccccc1-c2c(nc(s2)N)-c3ccnc(n3)SC	2713
+c1c(cc(nc1C(=O)Nc2scc(C)n2)C)Br	9770
+C(ON=C(c1n(C)nnn1)c2cccc(SC)c2)c3nc(N)sc3	4874
+c1cc(ccc1)C(=NOCc2nc(sc2)N)c3cncn3C	4874
+c1cc(ccc1OC(=O)C)C(Nc2scc(n2)SC)=O	548
+c1ccccc1CNc2nccc(c2)-c3c(-c4cc(C)ccc4)nc(N)s3	182
+c1(c(cc2NC(Nc2n1)=O)-c3c(cncc3)Cl)-c4c(cccc4)F	3100
+n1c(N)c(c(nc1-n2nc(Sc3ccccc3F)c4c2cccc4)N)NC(C)=O	1616
+n1c(N)c(c(nc1-n2c3ccccc3c(Sc4ccccc4F)n2)N)[N+]([O-])=O	4803
+Nc1nc(nc(N)c1N)-n2nc(c3ccccc23)Oc4ccccc4F	193
+c1cc(ccc1C(Nc2sc3CCCCc3n2)=O)Br	548
+n1c(O)c([N+](=O)[O-])c(N2CCc3c(CC2)sc(N)n3)nc1C	3698
+c1cc(ccc1)COc2cccc(C=CCN3CCc4sc(nc4CC3)N)c2	2613
+O(Cc1ncccc1)c2cc(C=CCN3CCc4c(CC3)nc(N)s4)ccc2	20
+c1cc(ccc1C(C(=O)Nc2sc3nc(OC)ccc3n2)CC4CCCC4)S(=O)(=O)CC(C)=O	373
+Clc1ccc(c(Cl)c1)-c2cnc(cc2C#N)N	89
+c1(ncc(Br)c(Cl)c1Cl)N	395
+Nc1ncc(Br)c(Cl)c1[N+](=O)[O-]	1026
+c1c(cc(c(N)n1)C#Cc2ccncc2C)Br	2281
+C1C(CC1)c2c(OC)c(c(cc2)-c3cnc(N)c(C#N)n3)F	356
+c1c(N)cc(-c2nc(c(nc2)N)C(NC)=O)cc1	356
+c1c(Br)nc(c(n1)N)C(Nc2cccnc2)=O	1285
+c1cc(ccc1)NC(c2nc(cnc2N)Br)=O	466
+n1cc(Br)nc(-c2[nH]c3c(cccc3)n2)c1N	9771
+Nc1ncc(Br)nc1C(=O)O	1
+c1cc(ccc1-c2nc(c(N)nc2)C(=O)OC)S(=O)(=O)C	356
+c1cc(ccc1-c2cnc(N)c(n2)C(=O)OC)C(=O)N(C)C	356
+c1cc(ccc1)NC(n2c3ccc(cc3cc2)Nc4cc(ncc4C#N)N)=O	179
+c1(cccs1)COc2c(C#N)cnc(N)c2	2009
+Nc1ncc(CCC(=O)O)nc1Br	4
+Clc1ccc(c(-c2cc(cnc2N)Cl)c1)OC	796
+c1c2C(=O)N(C(=O)c2ccc1)c3cc(C)c(C)cn3	1765
+c1(c(ncc(c1)C(=O)OC)N)C#Cc2cccc(NC(c3occc3C)=O)c2	2281
+Nc1c(ncc(c1)C(=O)N)N	13
+Nc1c(ncc(c1)C(=O)OC)N	13
+CCOC(=O)c1cn2c(cc(Br)cc2)n1	1959
+Nc1ncc(Cl)c(Br)c1	395
+Nc1ncc(I)c(Br)c1	583
+c1cc(ccc1-c2cn3c(cc(cc3)Br)n2)OC	440
+N=C(c1ccnc(N)c1)NO	181
+OC(c1ccnc(N)c1)C	74
+c1c(F)c(-c2cn3ccc(C)cc3n2)ccc1OCCCCl	440
+c1c(cc2c(OC(=CC2=O)c3cn4ccc(C)cc4n3)c1)Br	9772
+c1cc(ccc1-c2cn3c(cc(C)cc3)n2)Br	440
+Nc1ncc(I)c(Cl)c1	583
+Clc1cc(ncc1)Nc2ncc(-c3cncc(C(=O)O)c3)s2	1178
+c1cc([N+]([O-])=O)cc(F)c1Oc2ccnc(N)c2	242
+c1cc(ccc1N)Oc2cc(ncc2)N	242
+Clc1cc(ncc1)Nc2ncc(-c3cncc(c3)Br)s2	1178
+Nc1ncc(I)c(F)c1	583
+c1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)cc(N)n1	46
+C1CCCCCC=2C(=O)N3C=CC(C(=O)OC)=CC3=NC1=2	9773
+Nc1nccc(c1)C(Oc2ccc(c3c2cccc3)N)C	0
+c1(C(=O)O)cncc(-c2cnc(Nc3c(Cl)cccn3)s2)c1	1178
+c1cc(ccc1-c2nc3c(cccn3c2)Cl)F	440
+c1cc(cc(F)c1C#N)Nc2c([N+]([O-])=O)cccn2	781
+O=S(=O)(Nc1nccs1)c2c(cc(cc2)Br)F	1140
+c1cc(ccc1Br)S(=O)(=O)Nc2sccn2	1140
+c1(F)cccc(F)c1N2C(=O)C=Cc3c(-c4c(C)ccc(C(=O)Nc5sccn5)c4)nc(nc23)SC	900
+n1c(cn2c1scc2)-c3ccc(cc3F)F	2952
+c1cc(ccc1)C(c2cc3[nH]nc(-c4ccccc4)c3cc2)C(C)(C)C(=O)Nc5sccn5	373
+c1ccccc1COc2ccc(cc2)C(C(=O)Nc3sccn3)CC4CCCC4	373
+c1cc(ccc1Oc2cc(cc(C(Nc3sccn3)=O)c2)OC4C(=O)N(C)CC4)-c5oc(C)nn5	900
+c1cc(ccc1)C2(CC(C2)C)c3cc(ccc3-c4nc5n(ccs5)c4)OCc6ccc7cc(ccc7n6)F	2952
+c1ccccc1COc2c(C#N)cc3c(Oc4cc(c(cc4)NC(=O)Nc5sccn5)F)ccnc3c2	9774
+Nc1ncn(CCCN)c1	51
+c1c(OC)c(c(cc1Cc2sc3c(cccc3)c2S(=O)(=O)Nc4c(Br)c(no4)C)OC)OC	4875
+O=S(=O)(c1c2c(nccc2)sc1)Nc3c(Cl)c(no3)C	4875
+c1n2nc(Br)sc2nc1	9775
+c1ccccc1COc2c3c(cc(Cl)c2)oc(-c4cn5nc(Br)sc5n4)c3	2865
+c1(C=O)nc(N)sc1C(=O)OC	1348
+c1ccccc1COc2c3c(cc(OC)c2)oc(c3)-c4nc5n(c4)nc(C(F)C)s5	2865
+c1cc(ccc1CNC(=O)c2sc(nc2C)N)Cl	454
+c1ccccc1CNC(=O)c2sc(nc2C)N	454
+C(C)OC(c1cn2nc(sc2n1)CC)=O	9776
+c1cc(ccc1)OC(Nc2nnc(CC)s2)=O	810
+c1cc(ccc1CCCCCCCCCCCC)S(=O)(=O)Nc2sc(CCCCCBr)nn2	1140
+c1ccccc1CS(=O)(=O)NC2=CC=C(N(CC(=O)NCC3CCc4c(C3)sc(N)n4)C2=O)C	9
+c12ccc(F)c(c1scn2)Br	3101
+c1cc(ccc1OC(=O)Nc2nc3c(cccc3)s2)[N+](=O)[O-]	810
+Nc1c(cc(C(=O)O)cc1)S	9777
+c1c(ccc2nc(N)sc12)O	5
+c1c2c(ccc1OC)ncs2	3101
+s1c(C(Nc2nc3c(cccc3OC)s2)=O)ccc1C	9778
+c1(C)cc(C(=O)O)cnc1N2CCCC2COC	4876
+c1(cccc(C(=O)O)c1)NCCC(=O)O	459
+c1cc(ccc1C2CCC(CC2)CCCC=C)-c3ccc(cc3)C(O)=O	872
+c1cc(ccc1Br)-c2oc(C)c(n2)CC(O)=O	459
+c1cc(ccc1Cn2ncc(c2)C)C(c3cc(C(O)=O)cnc3)=O	4876
+c1cc(ccc1C(=O)O)CCCC=C	872
+c1cc(ccc1CN2N=CC(=C(C(O)=O)C2=O)C)OC	9779
+c1cc(ccc1COc2c(c(O)c(cc2)C(C)=O)CCC)C(O)c3cccc(C(O)=O)c3	872
+c1cc(ccc1CCc2ccc(cc2C(O)=O)F)F	872
+c1cc(ccc1F)Cc2nc(ccc2C3CC3)C(=O)O	876
+CC(C)(C(=O)O)c1ccc(cc1)OC	459
+c1cc(ccc1Oc2ccc(C)cc2CC(=O)O)C	459
+c1cc(ccc1)-c2ccc(c(C(O)=O)n2)C	876
+O(c1c(ccc(C(=O)O)c1[N+](=O)[O-])OC)C	500
+O(c1c(O)cc(CC)c(C)n1)C	4871
+c1(C)cc(ccc1F)C(CC(CC=C)C(=O)O)O	1392
+C1CC(CCC12OCCO2)(c3cccnc3)C(=O)N	645
+c1(Br)cc-2c(cc1)C(C(c3ccc(cc-23)Cl)=O)=O	9780
+n1(CC)cc(c2ccc(cc12)C(=O)OC)C(=O)O	1725
+c12c(cnc(c1cccc2C)OC)C(=O)O	1725
+O=S(=O)(CC)c1ccc(cc1F)C(O)=O	500
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1O)Cl)NCC	1683
+O=S(=O)(C)c1cc(C(O)=O)cc(O)c1	477
+c1cc(ccc1S(=O)(=O)Nc2cccc(C3OC3)c2)-c4ccc(F)cc4F	3594
+O=S(=O)(c1cc2C3C(O3)Cc2cc1)C	9781
+O=S1(=O)CCCN1CC23CC4C(CC(C4)C2)(C(=O)O)C3	9782
+O=S1(=O)c2c(C(C)(C)CC1)c(c(cc2C)C(=O)O)Cl	2199
+O=S1(=O)c2c(C)cc(c(c2C(C(C)(C)C1)=O)C)C(=O)O	2199
+c1c(Cl)c(c(cc1C(=O)O)Cl)Oc2ccc(cc2)[N+]([O-])=O	820
+c1cc(c(F)cc1I)C(=O)O	820
+c1c(Br)c(cc(OC)c1F)C(=O)O	820
+c1cc(ccc1)-c2ccc(Br)cc2C(O)=O	820
+c1c(nc(c(F)c1)Br)C(=O)O	9783
+c1c(c([N+]([O-])=O)cc2C(CCc12)=O)NC(C)=O	1720
+c1c(NC=2C=3C(=O)N(CC(CO)O)N=C(C=3N(C(=O)C=2Cl)C)c4cccc(NC(C)=O)c4)c(F)cc(I)c1	3248
+c1c2c(CCc3ccccc3C2CC(CO)O)sc1	4877
+c1cc(ccc1CC(O)CO)Br	4877
+OB(O)CCCCn1cnc2c1nc(N)nc2O	9784
+c1(cccc(Cl)c1C(Cc2ccc(Cl)cc2Cl)C(O)=O)Cl	4431
+c1(c(cc(c(n1)-c2occc2)-c3ccncn3)C(=O)O)N	4878
+c1cc(ccc1-c2c(nc(O)c(c2)C(=O)O)-c3ccc(cc3)OC)OC	4878
+c1ccc(cc1OC)CC2CCCCC2C(=O)O	1588
+c1ccccc1COc2cc(cc3nc(C)n(CCOC)c23)C(=O)O	4879
+S(C)c1ccc(O)cc1Cl	477
+[N+]([O-])(c1cc([N+](=O)[O-])c(F)cc1O)=O	1772
+c1(C(=O)O)cc(cc(N2CCCC2=O)c1)O	477
+c1(CCCC)[nH]c(c(Cl)n1)C(=O)O	9785
+c1(c(OC)c2ccccc2c(c1)OC)CCCC=O	3293
+c1(c(F)c(F)c(C=O)cc1)Oc2ncc(cc2)C(=O)N	4089
+C(O)c1c(F)ccc(Br)c1F	1555
+c1(F)c2c(c(c(C(=O)O)c1)OC)cccc2	500
+c1(OC)cc(ccc1[N+]([O-])=O)O	1772
+Ic1c(F)cnc(O)c1	2273
+Nc1c(cc(cc1C)Br)C(=O)O	3562
+c12CCC(CC(OC)=O)c1ccc(c2C)C(=O)O	500
+C1Cc2c(c(ccc2)NC(C)=O)C1=O	1720
+c12cc(cc(C)c1ncc(Cl)c2)O	477
+c12c(cccc1)C(=O)N(C2=O)CCCCS(c3cc([N+](=O)[O-])cc(NC(N4CCCC4)=O)c3)=O	4880
+c1c(cc2c(c3C(CCCc3[nH]2)=O)c1)Br	9786
+c12c3c(ccc1cccn2)c(cc(n3)C=O)OCC	2282
+c12c3c(ccc1cccn2)c(OCCOC)cc(n3)C=O	2282
+o1c2c(cc(cc2)-c3noc(-c4ccc(c(OCC)c4)OCC)n3)cc1C(O)=O	9787
+c12ccc(cc1n[nH]c2)O	3472
+c1cc(cc(c1OC)C(=O)c2c(c(-c3cnccc3C)ccn2)F)F	9788
+c1c(Cl)c(c(cc1)Cl)C(=O)c2cc3c(cc2O)C(C(N)=O)=C3	9789
+c1(cc(cc(F)c1C(=O)O)C)F	500
+COc1c(c(cc(c1)F)O)[N+]([O-])=O	1772
+c1(cc(cc([N+](=O)[O-])c1)CCO)[N+](=O)[O-]	4881
+c1c(c(Br)nc(c1)C=O)OC	2282
+c1c(cc(Br)cn1)NC(C(=O)N)c2c(cccc2)Cl	645
+c12C(=O)C(Nc1c(cc(c2)Br)CC)=O	9790
+c1c(cc(cc1Br)O)C(=O)C	4882
+c1c(C(=O)O)cc(cc1Br)O	4882
+C(=O)c1c(cccc1)-c2cscc2	1483
+n1c2c(cc(c(C)c2)O)ccc1	2608
+c1c2c(c(nc(n2)Cl)O)ccc1OC	1173
+O=Cc1ccc(c2c1cccc2)CBr	1295
+c1c(I)cc([N+]([O-])=O)c(c1)C=O	1483
+Oc1c(cccc1)CC(c2sccc2C)N(C=O)C	477
+Clc1cnc(cc1)COC2=CC(=O)[NH+]([O-])C=C2	9791
+Clc1cnc(cc1)COC=2CC(=O)[N+](=CC=2)[O-]	9792
+c1cc(ccc1)-c2ncc(cc2C=3C=CC(=O)N(C(C)C)N=3)C(=O)O	9793
+c1cc(ccc1)-c2c(CS(=O)C)c(c3c(cccc3)n2)C(NC(CC)c4ccccc4)=O	9794
+c1cc(ccc1)-c2cc(F)c(cc2)C(=O)O	500
+c1ccccc1-c2cccc(N)c2C(=O)N	1079
+c1cc(ccc1)-c2onc3c(CC(N)=O)cccc23	645
+c1ccccc1CC(O)C(=O)O	2631
+[N-]=[N+]=NC(CCCCOCc1cc(C)c(F)cc1)C(=O)O	9795
+c1cc(ccc1NC2(CCN(CC2)Cc3ccccc3)C(=O)N)F	645
+C1CN(CCC1(CO)O)Cc2ccccc2	9796
+c1cc(ccc1)COc2c(c(cc(O)c2)OC)[N+]([O-])=O	1772
+c1cc(ccc1C(O)=O)Oc2cc(cc(c2)OCc3ccccc3)C(OC)=O	500
+CC(C)c1n(Cc2ccccc2)c3cc(OC)ccc3c1C(=O)O	1725
+CC(C)c1n(Cc2ccccc2)c3c(ccc(C(OCC)=O)c3)c1C(=O)O	1725
+c1cc(ccc1-c2nc(N)c(C(=O)O)nc2C=3C=CC(=O)N(C(C)C)C=3)OC	4344
+c1cc(ccc1-c2oc3c(n2)c(C=O)ccc3)Cl	9797
+c1cc(ccc1-n2nccc2)Cc3c(C)c(C)c(C=O)c(C(OC)=O)c3	9798
+c1cc(ccc1C)C(Nc2cncc(Br)c2)C(N)=O	645
+c1cc(ccc1Br)C(C)(C(O)=O)N	4703
+c1cc(ccc1C2=NCc3onc(C)c3-c4ccnc(O)c24)Cl	2273
+c1cc(ccc1C=O)CC(O)=O	1483
+c1cc(ccc1CC(C(OCC)=O)OCC)CCO	4881
+c1cc(ccc1Cc2c(nn3c2nc(cc3C)C)CC)O	2608
+O=S(=O)(C)N(c1cc2nn(-c3ccc(cc3)Cl)c(C(=O)NC)c2cc1C4CC4)CCCC5CO5	9799
+c1cc(ccc1N2C(C(=Nc3c2cccc3)C(=O)N)=O)Cl	9800
+c1cc(ccc1F)C(=O)C2CCN(CC2)CCCCN3C(c4ccc(cc4NC3=O)[N+]([O-])=O)=O	9801
+c1cc(ccc1-n2nncn2)O	477
+c1cc(ccn1)C(c2c(ccc(Cl)c2)N)=O	9802
+c1cc(ccc1C#N)N2CC(C(=O)O)OC2=O	4670
+c1cc(ccc1OC(=O)C=CC)C(=O)O	500
+O=C(OCC)Cc1c2nc(ccc2ccc1Cl)C=O	2282
+c1cc(ccc1)-c2sc(C(=O)N)c(c2)N	9803
+c1ccccc1C(c2ccccc2)(C3CCNC3)C(=O)N	645
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)SCC(CC(CCCCCCC)C(O)=O)O	1392
+c1ccccc1C=2CCN(CC=2)CCCCc3c4c(ccc(C(N)=O)c4)[nH]c3	1079
+c1ccccc1C=2CCN(CC=2)CCCCc3c4c(ccc(C(=O)O)c4)[nH]c3	9804
+c1cc(ccc1)COC(c2[nH]c(C(=O)O)cc2)=O	9805
+c1ccccc1COc2ccc(cc2)C(N)=O	1079
+c1ccccc1COc2ccc(cc2F)-n3c4cc(F)cc(O)c4cn3	9806
+c1ccccc1COc2c3c(ccc2)c(O)cc(n3)C	4347
+c1cc(ccc1)S(C(c2c(ccc3c2cccc3)OC)CNC=O)=O	4880
+c1c2c(nc(nc2cnc1)Cl)O	1173
+c12n(CC(=O)O)cnc1ccc(c2Cl)F	3402
+n1c(cn2c(cnc2c1SC)Br)C(=O)N	2782
+c1(c(Cl)nc(C)nc1O)C	1173
+n1c2c(c(O)nc1CCCC)cc(cc2)CO	1555
+n1ccc2c(nc(Cl)nc2c1-c3cc([N+]([O-])=O)ccc3)O	1173
+c1nc(ncc1)-c2cnc(cc2)O	2273
+c1(c(N)c(C)cc(-n2ncnc2)c1)C=O	1295
+n1sc2c(c1-c3cc(CO)ccc3)ncnc2O	1555
+C(c1sc(cc1)CCCCCC)(=O)O	3451
+COC(=O)C(C(OC)=O)c1ccc(cc1[N+]([O-])=O)-c2ccc(cc2)OC	11
+c1cc(ccc1)OC(=O)Nc2cc(c(C(CO)CO)cc2)F	9807
+O(C)C(=O)C(C(OC)=O)c1ccc(N)cc1F	0
+c1cc(ccc1Br)CC(C)C(=O)OCC	2283
+C(OC(CCC(c1cccc2OCOc12)CCCCC)=O)C	4883
+C(O)C(CO)Cc1cccc(Cc2nc(oc2C)-c3ccc(cc3)C)c1	1257
+C(Cc1cc(ccc1[N+]([O-])=O)F)(OCC)=O	976
+c1cc(ccc1)COc2cc(CC(=O)OCC)cc(F)c2	976
+C(Cc1cc(C)ccc1[N+]([O-])=O)(OCC)=O	976
+c1cc(ccc1CCC(C(=O)OCC=C)CCC2(CC2)CC(OCC)=O)C(=O)OC	9808
+c1cc(ccc1)COc2c(c3c(cccc3)cc2)C(C(=O)OCC)O	22
+c1cc(ccc1Br)C(COC(C)=O)CO	9809
+c1cc(ccc1Cc2cc(Br)ccc2Cl)COC=C	9810
+C1=CC=C(C)N2C(C(Br)=C(N=C12)CO)=O	2502
+c1c2cccnc2c(CO)cc1	59
+C(=O)(OCC)c1nc(C#N)c2c(c(cn2Cc3ccc(F)c(F)c3)Cl)c1OC(=O)C	573
+c1cc(ccc1F)CNC2C(CCCC2)C(OC)=O	42
+c1cc(ccc1Cl)S(=O)(=O)NC2CCCCCC2C(OC)=O	71
+c1(nc2c([nH]1)cccc2)CC(=O)OCC	9811
+C(O)CCCCC(=O)N(CCCCCCC)CC	95
+c1cccc(-c2cnc(CCCCC(OC)=O)o2)c1OC	4657
+c1cccc(-c2noc(CCCCC(OC)=O)n2)c1OC	2383
+C(CCCC(=O)O)CCC1C(CCC1OC2CCCCO2)C=O	4
+O(C(=O)CCCCCCCNC(=O)c1c(C)[nH]c(C=NN=C2c3c(ccc(F)c3)NC2=O)c1C)C	56
+c1cc(ccc1CN2c3c(N(C2=O)CCCCCCCC(=O)OC)cccc3)Cl	9812
+O=C(NCCCCCCCC(=O)O)c1c(C)[nH]c(C=NN=C2c3c(ccc(F)c3)NC2=O)c1C	4
+C(CCCC)C(CCC1CCCC(=O)N1CCCCCCC(OC)=O)O	460
+C1(N(C(=O)CCC1)CCCCCCC(OC)=O)C=CC(=O)CCCCC	1278
+N1(CCCC(=O)O)c2ccccc2C(NC1=O)=O	3
+c1cc(c(-c2coc(n2)CCCC(OC)=O)cc1)N	0
+c1cc(ccc1Cn2nc(c(CCC(OCC)=O)c2)OCC)OCc3csc(-c4ccccc4)n3	1944
+O(C)CCCc1cncn1Cc2ccccc2Br	21
+c12cnc(NC)cc1nc(C)c(-c3cc(NC(OC(C)=C)=O)c(F)cc3F)c2	2922
+c1cc(ccc1OC)N(C)c2nc(CNC(=O)OC(C)Cl)nc3c2cccc3	101
+c1cc(cc(Cl)c1)C2(c3cc(Cl)ccc3)C4C(C(=O)CC2)CN(C4)C(=O)OC=C	9813
+c1[nH]c2c(cc(cc2)NC(OCC=C)=O)c1CCNC(C)=O	90
+c1cc(ccc1OC)CSc2nc(C3=CCN(C(C3)CO)C(=O)OCC=C)cs2	9814
+Clc1ccc2oc(nc2c1)NCC3N(C(OCC=C)=O)CCCC3C	1527
+O=C(c1cc(-c2ccccn2)c(cc1Cl)Cl)O	1
+n1c([nH]c2ccccc12)C(O)=O	1
+c1([N+]([O-])=O)cccc(C(O)CO)c1	59
+c1ccccc1C(c2ccccc2)C(=O)N(CC)CC=CCOC(C)=O	2046
+c1[nH]c2nc(SC)nc(Cl)c2c1CCO	59
+c1cc(ccc1N2C(C)c3c(N(C2=O)c4cccc(C#N)c4)nc(nc3)Nc5cccc(CCOC(C)=O)c5)OC	55
+O(C(C)=O)CCc1cccc(N)c1	0
+O=S(=O)(C)OCCc1csc(CCOC(=O)C)c1	7
+c1([N+]([O-])=O)ccc(NC(C)=O)c(c1)O	173
+c12C(NC(=O)c3cc4c(cn3)cccc4)(C(=O)N(c5c(cccc5)F)c1cc(OC)cc2)CCC(O)=O	4
+O(C(CCCCC(c1sc(cc1)Cl)=O)=O)CC	9815
+C(CCCC(=O)c1c2ccccc2c(cc1)F)C(=O)OCC	214
+c1(nn(cc1)CCCCCCC(OCC)=O)-c2ccccc2O	338
+c1c(c(-c2nn(cc2)CCCCCCC(=O)O)ccc1)OC	3
+O(C(CCCCCNc1c(cnc2ccccc12)N)=O)CC	13
+c1ccc(OCCCC(OCC)=O)c(N)c1	0
+c1c(cc2c(c1)nc(cc2OCCCOc3c(nc(N)nc3N)CC)C)OCCCC(=O)O	3
+c1cccc2c(cccc12)Cn3c(nc4ccccc34)SCCCC(=O)OCC	1947
+O(C(CCc1nc(ccc1O)CCCCC(=O)OC)=O)C	587
+c1cc(ccc1C=CCCCCOc2c(CCC(OC)=O)nc(CCCCC(OC)=O)cc2)OC	458
+O=S(=O)(C)CCC(Cc1cc(C#N)ccc1)(NC(OC)=O)C(=O)OC	991
+c1c(N)c(cc(OCC)c1OCC)C(OCC)=O	0
+O(C(c1ccc(Cn2c(CCCC)nc(Br)c2C=NO)c(F)c1F)=O)C	2513
+Fc1cc(C(Nc2cc([nH]n2)C(O)=O)=O)c(C)cc1F	6
+Fc1c(cc(c(c1)C(Nc2cc([nH]n2)C(O)=O)=O)Cl)F	6
+OB(O)c1c(SC)cc(cc1)F	422
+OB(O)c1c(F)cc(OC)c(OCC)c1	2284
+OB(O)c1c(CC)cc(cc1CC)-c2ccc(cc2)Cl	422
+OB(O)c1cc(F)cc(F)c1SC	422
+OB(O)c1cc(Br)ccc1C	2284
+O(C)B(OC)c1ccc(c(c1)OC)F	2159
+OB(O)c1cc(CC)c(cc1)OC	422
+c1cc(ccc1)-c2cc(ccc2B(O)O)OC	422
+c1cc(ccc1)COCC(c2ccc(B(O)O)cc2C)CF	422
+OB(O)c1c(OC)cc(cc1OCc2ccccc2)-c3oc(cn3)C	422
+c1cc(ccc1)Cc2cc(ccc2OC)B(O)O	422
+c1ccccc1C#Cc2ccc(cc2)B(OC)OC	2159
+O(C)B(OC)c1ccc(cc1)SC	2159
+OB(O)c1ccc(-c2ccc(cc2)CCCCCCCCC)nc1F	9816
+OB(O)c1ccc(cc1)CCCCCCCCC	422
+c1cc(ccc1-c2ccc(c(B(OC)OC)c2)Br)Cl	4369
+c1cc(ccc1F)-c2cc3c(OCO3)cc2B(O)O	422
+c1cc(ccc1CCCCCCCC)B(O)O	2284
+OB(O)c1ccc(cc1)OCC2CC2	2284
+COB(OC)c1ccc(OCCCCCC)nc1	9817
+c1ccccc1-c2ccc3n-4c5c(cc(cc5c3c2)-c6ccccc6)C(C)(C)c7cc(ccc-47)B(O)O	422
+c1ccccc1COc2c(cc(O)cc2CC)C	9818
+c1cc(ccc1)COc2cc(B(O)O)ccc2OCc3ccccc3	422
+OB(O)c1cc(c(F)cc1)Oc2ccccc2	422
+CC(C)c1c(cc(OC)c(B(OC)O)c1)F	493
+COB(O)c1cc(c(F)cc1)OC	493
+c1cc(ccc1SC)B(OC)O	493
+CC(C)(CC(=O)OC)c1ccc(o1)C	9819
+c1cc(ccc1)COc2cc(CC(OC)=O)cc(c2)Cl	1540
+O(C(=O)C(C(OC)=O)c1ccc(NC(=O)Oc2ccccc2)cc1F)C	90
+Clc1cc(CO)cc(c1)C(=O)OC	98
+C1CN(CCN1C(=O)Nc2c(cccc2)C(OC)=O)Cc3ccccc3	326
+O=S(=O)(N(c1ccccc1)C)c2cc(N3C(=O)c4c(cccc4)NC3=O)c(Cl)cc2	9820
+Cc1c(Br)cc2c(nc(o2)C)c1	2794
+c1cc(ccc1)Oc2c3c(c(c(n2)C)C)n(CCCCCCl)c(C)n3	730
+C1(C(c2cc(ccc2N1C(=O)C)C(=O)C)=C(OC)CCCC)=O	9821
+c1cc(ccc1-c2nn3C(NC(CCCC)=Nc3c2)=O)F	9822
+c1ccccc1C(CCCCCn2c3c4ccccc4ncc3nc2CCCC)=O	730
+c1ccccc1OCCn2c(CCCC)nc3cnc4c(cccc4)c23	730
+c1cc(ccc1)-c2nc(cc(Cl)c2)NC(CCC(=O)c3ccc(OCC)c(c3)OCC)=O	9823
+c1c(OC)c2c(c(C(=O)C(C)C(OC)=O)c1)ccc(CC)n2	1985
+c1cc(ccc1)COc2cccc3c2CCC(C(OC)=O)C3=O	1985
+c1cc(ccc1C(CC(=O)OC)=O)F	3963
+c1c2c(ccc(c2cnc1O)F)Br	4551
+O(C)C(OC)C(=O)NCc1c(ccc(Br)c1)F	248
+c1cc(ccc1)CSC(C(OC)OC)CN	157
+O(C)C(OC)C1(Oc2c(c(C)c(c(c2C)C)OCc3ccccc3)CC1)C	22
+O=S(=O)(C)c1cc(F)c2COC(Oc2c1)CBr	4884
+O1C(CBr)Oc2cc(cc(c2C1)F)Br	4884
+COC(OC)Cn1ncc2cc(ccc12)Oc3c(cc(cc3)F)C#N	1090
+COC(OC)COc1ccc(cc1)-c2nc3c(cc(C4=NNC(=O)CC4CC)cc3)o2	8
+c1cc(ccc1F)OCC(OC)OC	8
+COC(OC)Cn1ncc(c1)[N+](=O)[O-]	338
+n1c(C)ccc(c1F)C2=CN(C(NC2=O)=O)CCC=O	571
+n1n(cc([N+]([O-])=O)c1)CCC=O	571
+O(C)C(OC)CCn1nc2cc(ccc2c1)N	0
+c1cc(ccc1Oc2ccccc2)NC(=O)Nc3ccc4cn(nc4c3)CCC(OC)OC	124
+CC=CCN(CC=O)C(OCC)=O	571
+c1(sc(nn1)N2C(OC)CN(C2=O)C)C(C)Oc3cc(c(Cl)cc3)Cl	9824
+O(C)C(OC)CN(C1CCCCC1)C(CCOCCc2cc(ccc2)C=O)=O	1937
+O(C)C(OC)CN1C(C(NCc2cc(ccc2)Cl)=O)=C(C(=O)C(N)=C1)OCc3ccccc3	9825
+O(C)C(OC)CN1C(=C(OCc2ccccc2)C(=O)C(C(O)=O)=C1)C(NCc3cc(ccc3)Cl)=O	127
+c1ccccc1COC(NC2c3n(-c4c(cccc4)CC2)ccn3)=O	9826
+O(C)C(OC)CN(C(Nc1nnc(s1)C(Oc2cc(Cl)c(cc2)Cl)C)=O)C	1110
+CC(C)CC(C(=O)NCC=O)CS	571
+O(C)C(OC)CNC(=O)C(CC(C)C)CS	1113
+c1c2c(C)ccc(F)c2oc1	9827
+c1cc(N2N=C(C(=O)OC)C(=O)C(=C2)OC)c(F)cc1I	1181
+c1(c(Br)cccc1N2N=C(C(=O)OC)C(=O)C(=C2)OC)F	1181
+CN(C)C=C1C(=O)CCCC1=O	2509
+O=S(=O)(c1n(C)nc2cccc(O)c12)N=CN(C)C	9828
+CN(C)C=CC(=O)c1scc(Br)c1	277
+CN(C)C=CC(=O)c1c(cc(c(c1)Br)C)NC(C)=O	277
+c1ccccc1-n2c(C3=NN(c4cccc(Br)c4F)C=C(C3=O)OC)ccn2	3964
+Clc1cc(cc(Cl)c1)C(C=CN(C)C)=O	277
+CN(C)C=NC(=O)c1cccc(Br)c1	2098
+CN(C)C=CC(c1cccnc1)=O	277
+CN(C)C=Nc1c(ccc(n1)C)C#N	9829
+CN(C)C=CC(=O)c1cccc([N+]([O-])=O)c1	277
+CN(C)C=CC(c1ccc(Cl)c(c1)CNC(C)=O)=O	277
+CN(C)C=C(C(OCC)=O)C(=O)c1c(cccc1)Cl	9830
+CN(C)C=CC(=O)c1cc(C)ccc1	277
+CN(C)C=CC(c1ccc(cc1[N+](=O)[O-])Br)=O	277
+c1cc(ccc1)C2=NN(C(C2=CN(C)C)=O)c3nc4ccc(cc4s3)Cl	2163
+c1cc(ccc1Br)C(=O)C=CN(C)C	277
+c1cc(ccc1OC)C(=O)C=CN(C)C	277
+CN(C)C=CC(=O)c1ccc(cc1)C(=O)NCc2cc(ccc2)OC	277
+c1cc(ccc1-c2nc3ccc(cn3c2)I)C(C=CN(C)C)=O	277
+CN(C)C=CC(=O)c1ccc(cc1)C(OC)=O	277
+c1cc(ccc1C(=CN(C)C)C(c2c(cc(cc2)Cl)Cl)=O)C	1773
+c1cc(ccc1C(=CN(C)C)C(c2c(cc(cc2)Cl)Cl)=O)F	1773
+c1cc(ccc1C(=CN(C)C)C(c2c(Cl)cc(Cl)cc2)=O)Cl	1773
+CN(C)C=C(c1ccc(cc1)Cl)C(=O)c2c(Cl)cccc2	1773
+c1cc(ccc1F)-n2ncnc2-c3ccc(cc3)N=CN(C)C	2275
+CN(C)C=C(c1ccncc1)C(=O)c2ccc(cc2)OCc3nc4cccnc4cc3	1773
+CN(C)C=C1C(CCc2c1cccc2)=O	9831
+CN(C)C=C1C(N(c2sc3c(cccc3)n2)N=C1c4ccc(c(Br)c4)C)=O	2163
+CN(C)C=C1C(=O)N(c2sc3c(cccc3)n2)N=C1c4cccc(I)c4	2163
+c1ccccc1-n2ncc3C(N(c4ccc(cc4)Cl)C(c5ccc(cc5)C(C=CN(C)C)=O)=Nc23)=O	277
+c1ccccc1C(O)c2cc(C(=O)C=CN(C)C)ccc2F	277
+c1ccccc1COc2cccc(c2)-c3nc(N4CCOCC4)c(c(C=CN(C)C)n3)[N+]([O-])=O	9832
+c1ccccc1COc2cc(c(N3N=C(C(C(OC)=C3)=O)C(=O)OC)cc2)F	1181
+CN(C)C=CC(=O)c1cncnc1	277
+c1nc2c(cc(Cl)c(Cl)c2Cl)[nH]1	9833
+COC(OC)c1ccc(cc1OC)OCCCN=[N+]=[N-]	1416
+C1(c2cccc3cc(-n4cnnn4)cc(C(N1CCCC(=O)O)=O)c23)=O	1441
+c1(CC(=O)OCC)c(cccc1)-n2nnnc2	1441
+n1nncn1-c2cc(-c3ccccc3OC)cc(C(=O)OC)c2	1441
+n1c(c(ccc1)OC)-c2cc(-n3nnnc3)cc(c2)C(=O)OC	1441
+n1c(ccc(-n2nnnc2)c1)F	9834
+O(C)C(OC)c1ccc(c(c1)F)[N+](=O)[O-]	1416
+c1cc(c(cc1CN2C(c3cc([N+]([O-])=O)ccc3N=C2)=O)Cl)Cl	9835
+Clc1c(Br)cc2c(c1)nco2	2577
+c12cc(Cl)c(cc1nc[nH]2)Sc3cc(C)ccc3	9836
+COC(OC)c1cccc(-c2nc(Cl)ncc2)c1	1416
+c12c(C(C(=O)N=C1O)=COC)cc(cc2)Br	9837
+c1cc(ccc1)COc2nc3c(cc2)[nH]cn3	9838
+c1cc(ccc1-c2nocn2)Oc3cc(cc(c3)OC(C)COC)C(=O)Nc4nn(C)cc4	3912
+COC(OC)c1ccc(cc1)C=CC(=O)O	1416
+c1cc(ccc1OCC)-n2cnc3cnc(Nc4cnn(c4)CCn5nccc5)nc23	2853
+c1cnccc1-c2c(-c3ccc(cc3)F)c4n(cnn4)c(NC(C)(C)c5ccccc5)n2	9839
+c1cc(ccc1-c2c(cc3c4n(cnn4)ccc3n2)-c5ccccc5)C6OCCO6	9840
+c1ccccc1C(CCCCCn2c3c(cnc4c3cccc4)nc2)=O	9841
+c1ccccc1CN2CCC(CC2)n3cnc4cccnc34	9842
+c1ccccc1Cn2c3cc(ccc3nc2)Br	9843
+COC(OC)c1c(CN(C(C)=O)CCN(C)C)cc2CCCNc2n1	58
+Clc1cccc(c1)-c2nc(Nc3c(ccc(C=O)c3)[N+]([O-])=O)sc2C(=O)N	1054
+c1cc(ccc1CO)C=O	1054
+O(C)C(OC)c1nc2c(cc1CN3CCN(C)CC3=O)CCCN2C(=O)Nc4ncc(c(c4)OC(C)C)C#N	2792
+CC(C)Oc1c(cnc(NC(=O)N2c3c(CCC2)cc(c(C=O)n3)CN4C(CN(C)CC4)=O)c1)C#N	4552
+O=C(c1cccc(OCc2cc3c(OCO3)cc2)c1C(O)=O)O	1
+c1c2c(c(C(=O)OC)ccc2)ncc1O	9844
+c1(cccc(C(OC)=O)n1)C(=O)O	1
+S1c2c(cccc2)C(N=C1c3nc(SCCCCC)ccc3)=O	2767
+c1cc(ccc1[N+](=O)[O-])-c2csc(-c3c(C)sc(c3)C(=S)OC)n2	9845
+c1cc(ccc1C2COCCC2=O)C#N	9846
+ClC1=NC=C(C(N1C)=O)O	9847
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(C(N5CCC(OC)C5)=O)ccc4c(S(C)=O)c3	30
+C1=CC=C(C(=S)N1CCCC)O	3668
+N1(C=C(Br)C=C(C1=O)O)C	2285
+O(C)C=1C(=S)N(C=CC=1)CCCC	9848
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCNC(C4)CCOC	3935
+C(CCO)c1cncn1Cc2ccccc2Br	88
+c1(C(=O)O)c2c(nc(NC(c3cc(ccc3)C#N)=O)n2CCCOC)ccc1	1
+c12ccn(CCCOC)c1CC(c3c(Cl)cccc3)C4C2C(=O)NC4=O	4885
+O(CCN(CCOC)c1ccc(cc1[N+](=O)[O-])C(O)=O)C	34
+c1cc(ccc1)COC(CN(CCOC)CCOC)=O	303
+O(C)CCOC(=O)Nc1cccc(CO)c1	90
+c1(cc(ccc1)NC(=O)OCCOC)C=O	39
+c1c(N)cc(cc1)OCCOC	0
+C(COc1cccnc1)O	88
+c1c2n(ccn2)ccc1OCCOC	1935
+c1(occ(CO)n1)COC	9849
+c1c(OC)c(I)ccc1C#C	9850
+c1cc(ccc1C(C)(C)C#C)F	1596
+CO[Si](OC)(OC)CCCc1ccc(c(c1)OC)OC(C)=O	9851
+[nH]1c(cc2ccccc12)-c3nc(ccc3O)Cl	390
+c1(c(-c2sc3c(cccc3)n2)ccc([N+]([O-])=O)c1)O	5
+O(C)c1c(C(O)C)cc(Cl)c(C)c1Br	74
+COc1c(Br)c(c(Cl)cc1C(C)N2c3c(c(ncn3)N)C(C=C2)=O)C	9852
+c1(cc(Cl)c(F)c(Br)c1OC)C(C)Nc2c(c(ncn2)N)C#N	40
+O(C)c1c(Cl)cc[n+]([O-])c1C	341
+C(c1c(OC)c(cc(C(=O)OC)c1)OC)CC=O	24
+c1c(OC)c(cc(c1)C(=O)C)F	94
+c1(O)c(F)ccnc1Br	390
+O(C)c1c(N)c(F)cc(Cl)c1[N+](=O)[O-]	106
+c1cc(NC(CC(Nc2ccccc2OC)=O)=O)cc(c1Oc3ccnc4cc(sc34)-c5ncn(CCC)c5)F	4375
+O(C)c1c(NC(C)=S)cccc1	2718
+COc1cccc2sc(C)nc12	9853
+c1(OC)c(c(cc(c1CO)[N+](=O)[O-])OC)OC	41
+c1(c(cc(F)c(F)c1)OC)O	5
+O(c1c(c(ccc1O)OC)OC)C	2286
+c1c(CC=2C(=O)C(OC)=C(C(=O)C=2C)OC)c(c(C(=O)O)cc1)OC(C)=O	1450
+C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC	460
+O=S(=O)(c1cccc2cccnc12)n3cc(-c4ccc(c(c4)OC)OC)c5ccccc35	9854
+c1ccccc1CC(=O)N2N=C(c3ccc(c(OC)c3)OC)CC2	9855
+c1cc(ccc1)COc2c(cc(cc2C)C#Cc3cc(cc(c3C=O)OC)OC)C	455
+COc1cc(cc(OC)c1)C=C(C(OC)=O)c2ccc(cc2)Oc3ccc(cc3)C=O	46
+COc1cc(cc(OC)c1)C2=C(C#N)C(=O)Oc3c2ccc(N)c3	9856
+c1c(OC)cc(cc1C(O)c2cc(OC)ccc2)OC	257
+O(c1cc(cc(OC)c1)C=C(c2ccc(cc2)O)C(=O)O)C	3006
+c1c(OC)cc(cc1CCN)OC	157
+c1c(OC)cc(cc1NC(c2c(cccc2F)F)=S)OC	581
+O(C)c1cc(cc(OC)c1)Nc2nc(Nc3c(cccc3)S(=O)(=O)C)c(cn2)C(=O)O	6
+c1(OC)cc(cc(OC)c1C)C#N	274
+c1c(OC)c(c(cc1-c2c(C(Nc3c(cccc3)-c4sc(cc4)CC(=O)OC)=O)cccc2)OC)OC	50
+C1CN(CCC12OCCO2)Cc3ccnc(-c4cc(OC)c(c(OC)c4)OC)c3	171
+O(c1cc(cc(OC)c1OC)-c2nccc(CN3C(c4c(cccc4)C3=O)=O)c2)C	9857
+c1(OC)cc(cc(OC)c1OC)-c2cc(CO)ncn2	453
+c1cc(ccc1)C(=O)Nc2c(N=Cc3cc(OC)c(c(c3)OC)OC)ccc(N4CCCC4)c2	457
+c1(cc(cc(OC)c1OC)C=C(c2ccc(cc2)F)C(O)=O)OC	3006
+COc1cc(cc(OC)c1OC)C(c2cc3c(cccc3)s2)O	2991
+COc1cc(cc(OC)c1OC)C=CC(=O)OC	9858
+c1(OC)cc(cc(OC)c1OC)Nc2ccc(c(NC(C)COC)c2)C#N	230
+O(C)c1cc(cc(OC)c1OC)NC(=O)Cc2cc(NC(=O)c3c(-c4c(cccc4F)F)noc3C)ccc2	2965
+O(C)c1cc(cc(OC)c1OC)Nc2nnc(cn2)C(C)NC(=O)c3cccc(c3)Br	14
+c1c(OC)c(c(cc1Nc2ncc3n(c(nc3C)-c4cccc(Br)c4)n2)OC)OC	9859
+c1(OC)cc(cc(OC)n1)C=CC(OC)=O	9860
+c1ccc(cc1C(c2cccc(c2)OC)=CC3CCNCC3)OC	3039
+O(C)c1cc2N=C(N(C(=O)c2cc1OC)c3ccccc3Cl)CSc4ncnc5[nH]cnc45	3031
+c1(cc(OC)cc(c1C(O)=O)OC)N	4886
+c12cc(OC)cc(c1c(ncn2)Nc3cc(Cl)c(F)cc3)O	5
+O(C)c1cccc(OC)c1-c2cc(nn2CC(C)C)C(=O)O	6
+O(C)c1ccnc(C=O)n1	2287
+n1c2ccc(C#N)cn2c(-c3nc(ccn3)OC)c1	4887
+n1c2ccc(cn2c(-c3nc(ccn3)OC)c1)F	4887
+c1cc(ccc1)Nc2nccc(OC)n2	55
+O(C)c1cnc(c(Cl)n1)CO	1125
+n1c(cnc(Cn2ccnc2-c3cccc(F)n3)c1Cl)OC	2238
+c1(nc(nc(OC)c1)NC(NS(=O)(=O)c2c(C(=O)OC)cccc2)=O)OC	1722
+O(C)c1nc(nc(OC)c1N)NCCC(=O)OCC	193
+n1c(OC)c(c(nc1NCCS(=O)(=O)NC(C)C)OC)N	193
+c1cc(ccc1-c2ncc(OC)c(OC)n2)F	345
+Clc1ccc(c(c1)-c2cc(ncc2OCC)OC)C#N	1164
+O(C)c1ncc(c(CO)c1)F	49
+O(C)c1ncc(c(c1)C=O)F	39
+c1(c(cc(nc1)OC)C=CC(OC)=O)F	530
+c1c2c(cnc1O)[nH]c3c2cc(cn3)OC	104
+CCOC(=O)C1C2C1Cc3cc(O)ncc23	104
+c1ccccc1NC(c2ccnc(OC)c2)=O	67
+c1cc(ccc1Cc2c(OC3C(OC(=O)C)C(OC(=O)C)C(OC(C)=O)C(COC(=O)C)O3)cccc2)C(=O)N	9861
+O=S(=O)(N(OC)C)c1c(Cl)ccc(NC2=C(OCC)C(=O)C2=O)c1O	1771
+C=1(C(C(=O)C=1OCC)=O)Nc2ccc(C#N)cc2CC	1771
+c1cc(cc2c(ncnc12)Nc3cccc(c3)Br)NC=4C(C(=O)C=4OCC)=O	1771
+O(c1ccnc(O)c1)C	3045
+c1c(NCCOCCOCC#C)c(ccc1)[N+]([O-])=O	205
+c1(cc(c(OCC#C)c(C)c1)OC)C(=O)O	9862
+C1Cc2c(c(c(c(c2CC(=C)C)O)C)C)N1C=O	1625
+C(C)OCC(Nc1c(nc2c(cccc2)c1NCC#C)Cl)=O	308
+c1cc(ccc1F)-c2cc(CNc3c4c(ncc3NC(=O)COCC)cccn4)on2	308
+c1cc(ccc1F)-c2cc(CNc3c4ccccc4nc(Cl)c3NC(=O)COCC)on2	308
+C(C)OCC(=O)Nc1c(c2c(cccc2)nc1)Cl	308
+c1ccccc1CN(Cc2ccccc2)c3nc(c(C)c4c3nc(COCC)n4CC5(CCCCC5)O)C	546
+c1cc(ccc1)Oc2nc(c(C)c3n(CCOCCCc4sccn4)c(nc23)COCC)C	546
+c12c(ccs1)cc(cc2)CCOCCO	21
+C(OCc1nccs1)COC	21
+n1cccc(Oc2c([N+]([O-])=O)cc(c(NC(C)=O)c2)F)c1OCC(OC)=O	551
+O(C)CCOc1cccnc1	21
+O1c2c(NC(C1)=O)cc(Br)cn2	1530
+Nc1cccnc1OCC(=O)OC	13
+Nc1cccnc1OCC(C)F	13
+n1cc(Cl)nc(NC(C)COC)c1	464
+c1c(cc(c(c1)C#N)NC(C)COC)Br	60
+c1cc(ccc1C)-c2cc(cc(-n3nnnc3C)c2)C(=O)NC(COC)C	14
+O(C(=O)C(C(=O)CCl)=NOCC)CC	969
+c1cc(ccc1-c2ccc(cc2)NC(CCCC)=O)C(=O)CC(C(O)=O)C(=O)OCC	3
+O(CC)C(=O)C(C(OCC)=O)CC(c1ccc(cc1)-c2ccc(cc2)N)=O	0
+C(OC(CCc1c(Br)cccc1Cl)=O)C	4883
+c1(cc(ccc1[N+]([O-])=O)CC(OCC)=O)OC	976
+O(CC)C(=O)C(C)c1nc(Cl)ccc1	174
+O(CC)C(C(Oc1cc2c(cc1)ncc(I)c2)CC)=O	289
+O(CC)C(=O)C(CCCCC)c1cccc(N)c1	0
+c1cc(ccc1)C(c2ccccc2)C(N3CCC(CC3)CCn4cnc(C(C(=O)OCC)Cc5ccc(nc5)N)c4)=O	541
+c1(cc(-c2c(C#N)cc(cc2)C)cc(C(=O)OCC)c1)C(=O)O	1
+N1C=2N(c3ccccc13)C(=O)C(=C(C)C=2C#N)CCCCCC	3734
+c1c(F)c(c(cc1)F)COc2nc(C)cn3c(c(nc23)C)C(OCC)=O	9863
+Cc1nc(-c2ccc(C)cc2F)sc1C(=O)OCC	2242
+c1ccccc1COc2c3nc(c(n3cc(Br)c2)C(=O)OCC)C	1316
+n1ccnn1-c2c(cccc2)C(=O)N3CC(c4oc(C(=O)OCC)c(C)n4)CCC3C	9864
+CCC(C)C(C(=O)O)F	3
+Cc1nc(nc(O)c1C)-c2ccc(N)cn2	9865
+CC1CC(N(C1=O)Cc2cc(-c3scc(C)n3)ncc2)c4c(F)cccc4OC	1737
+C1COC(O1)(c2c(c(c(c(Cl)c2)F)I)OC(C)C(=O)OCC)C	3104
+c1cc(ccc1C(C(C(OCC)=O)(Oc2cc3c(cc2)nccc3)C)O)OCc4ccccc4	9866
+CC(C(=O)O)c1cc(C)c(cc1)C#N	3
+c1(c(N)ccc(C(C)C(OCC)=O)c1)C	0
+c1(ccc(C(C)C(OCC)=O)cc1O)[N+]([O-])=O	77
+O(CC)C(C(C)c1cc2c(ccc(N)c2)[nH]1)=O	0
+c1([N+]([O-])=O)ccc2c(cc(C(C)CO)[nH]2)c1	44
+CC(C(=O)O)c1ccc(nc1)C#N	3
+O(CC)C(C(C)c1cc(ccc1)O)=O	241
+c1(cccc([N+]([O-])=O)c1F)CC=2C(Oc3c(ccc(c3)O)C=2C)=O	9867
+O(CC)C(C(N1c2cc(c(C)cc2OCC1=S)Br)C)=O	199
+C(N1C=CC=CC1=O)(C(=O)O)C	3
+O(CC)C(C(N1c2cc([N+]([O-])=O)ccc2SCC1=S)C)=O	199
+c1c2c(ccc1OC(C(=O)O)CC)ncc(I)c2	3
+C(OC(CCC1=CC(=O)N(CCCC)C=C1)=O)C	9868
+c1[nH]c2cnc(cc2c1CCC(OCC)=O)-n3ncnc3	4888
+C(OC)CCOc1cc(CCC(OCC)=O)ccc1O	159
+C(OC(CCc1cc(c(c(c1)F)F)O)=O)C	159
+C(OC(CCc1ccc2c(c1)CC(CCC2)=O)=O)C	159
+c1c(OC)ccc(CCC(OCC)=O)c1F	159
+c1cc(ccc1)CN2CC(CC2)Nc3ccc(cn3)C=CC(=O)OCC	70
+C(OC(CCc1ccc(nc1)OC)=O)C	4888
+c1cc(ccc1)C(=O)c2ccc(C(=O)Nc3cccc(c3)C=CC(OCC)=O)o2	768
+O(CC)C(C=Cc1cccc(N)c1)=O	0
+C(OC(CCc1cccn1-c2ccc(C#N)cc2C)=O)C	1253
+O1CCOC1(CCCn2c(C)nc3cnc4c(cccc4)c23)C	1700
+C(c1cc2nc(C)n(c2cc1)CC)(=O)O	3615
+c12c(cc([N+]([O-])=O)cc1O)oc(n2)C	4889
+c12n(c(CCC)nc1c(C)cc(c2)-c3oc(C)nn3)Cc4ccc5c(CCc6c(C5=CC#N)cccc6)c4	2959
+O=C1N(c2ccc(c(c2)Cl)Cl)C(=Nc3c1cccc3)C	9869
+c1ccccc1-c2c3c(ccc(Br)c3)n4c(nnc4c2)C	9870
+c1ccccc1-c2cn3c(nnc3C)cn2	9871
+c1ccccc1COc2c3oc(nc3cc(-c4ncc(cc4)C=C5SC(=O)NC5=O)c2)C	4889
+c1cc(ccc1)Oc2c3nc(C)n(CCOC(C)=O)c3c(C)c(n2)C	1700
+c1cc(ccc1)Oc2c3c(c(C)c(n2)C)n(c(C)n3)CCOCCCc4cnccc4	1700
+O(CCn1c(nc2c3n(nnn3)c4c(c12)cccc4)C)CCCc5cccnc5	9872
+c1(C)c(cc(cc1)C(CC(OCC)=O)=O)Br	4890
+C(c1c(OC)ccc(c1)Oc2ccccc2Cl)(C#N)C(=O)OCC	4891
+C(Cc1nc(Cl)ccc1)(OCC)=O	9873
+c1cc(ccc1C#N)-c2cc3CCC(=O)C(C(=O)OCC)c3cc2	4892
+c1cc(ccc1F)C(CC(OCC)=O)=O	4890
+CCOC(C(c1cccc(c1OC)Oc2c(F)cccc2)C#N)=O	4891
+c1ccccc1COc2ccc(cc2)C(C(=O)OCC)C(=O)OCC	9874
+C(OC(OCC)C(C)N(Cc1c2ncccc2ccc1)C(C(NC(CN(NC(NCc3ccc(cc3)Cl)=O)C)=O)C)=O)C	207
+c1cc(ccc1)CNC(=O)NOCC(=O)NC(C(=O)N(Cc2c3ncccc3ccc2)C(C)C(OCC)OCC)C	207
+CCOC(OCC)CCNCC1OCCO1	132
+O(CC)C(OCC)COc1ccc(N)cc1Cl	0
+Cc1c2c(ccc1)ccs2	9875
+c1cc(ccc1)-c2cnc3c(C(=COCC)C(=O)N3)c2	4841
+C(OC(OCC)P(CC(c1ccc(cc1)OC)CN)(=O)OCC)C	157
+O=S(=O)(N)N1CCN(CC1)c2cncc3cc(oc23)C=O	2084
+O=Cc1cc2c(o1)cc(cc2)C(=O)OC	2084
+FC(F)(c1c(Br)cc(CN(S(=O)(=O)c2ccccc2)Cc3ccc(cc3)C(=O)OC)cc1)P(OCC)(O)=O	228
+O(CC)P(OCC)(C(F)(F)c1c(cc(cc1)CN2C(c3ccc(cc3)S(=O)(=O)C)=CN(C4CC4)C2=O)Br)=O	9876
+O(CC)P(OCC)(=O)C(F)(F)c1c(Br)cc(CN(S(=O)(=O)c2ccccc2)Cc3ccc(cc3)C(=O)OC)cc1	692
+O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCNC(=O)c1ccccc1	93
+O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCNCc1ccccc1	162
+C1CC(CCC12OCCO2)=CC#N	1573
+c1c(cccc1[N+]([O-])=O)C(=CC#N)c2cc(c(OC)cc2)OC	2719
+c1c2c(ccc(F)c2oc1)C=CC#N	2368
+c1c(c(ccc1C=CC(=O)NC2c3c(CC2)cccc3)-n4cc(nc4)C)OCC	2632
+C(OP(OCC)(Cc1cc(C#N)ncc1)=O)C	1303
+O(CC)P(OCC)(c1ccc2c(C(=O)OCC)nn(c2c1)CC(=O)N3CC(F)CC3C(NCc4c(c(Cl)ccc4)F)=O)=O	348
+C1CC1N2C(=O)N(Cc3ccc(C(F)(F)P(OCC)(=O)O)c(Br)c3)C(c4ccc(cc4)S(=O)(=O)C)=C2	228
+C(OP(OCC)(=O)CCN=[N+]=[N-])C	310
+C(C)OP(OCC)(=O)CCc1cc(C#N)ncc1	1303
+O(CC)P(OCC)(CCCNc1cc(Cc2ccc(cc2)F)cnc1C(=O)OCC)=O	839
+C(C)OP(OCC)(CCCN=[N+]=[N-])=O	310
+c1cc(ccc1C)S(=O)(=O)OCCCCCP(OCC)(OCC)=O	36
+O(CC)P(OCC)(CCCCCO)=O	59
+O(CC)P(OCC)(CCOCCN=[N+]=[N-])=O	310
+O(CC)P(OCC)(CCOCCN)=O	18
+C(C)OP(OCC)(=O)COCCCOn1c2c(nc1)c(nc(NC=O)n2)Cl	1876
+c1cc(ccc1CP(O)(=O)OCC)C(=O)c2ccccc2	228
+c1(noc(C=Cc2ccccc2OC(C)OC)c1)CC	9877
+C(C)OP(OCC)(=O)c1cc2c(c(C(O)=O)nn2CC(=O)N3CC(CC3C(NCc4c(F)c(ccc4)Cl)=O)F)cc1	6
+CCOP(OCC)(c1ccc(cc1)[N+]([O-])=O)=O	9878
+O(CC)P(OCC)(CCCCCOC(=O)C)=O	1586
+CCOP(OCC)(Cc1cc(ccc1)Oc2ccc(cn2)C)=O	1060
+C(OP(OCC)(=O)Cc1c(cccc1)Br)C	590
+C(OP(OCC)(=O)Cc1c(O)ccc(C=O)c1)C	1060
+c12c(C(=O)N(C1=O)CCCCCCCCCCCCP(OCC)(OCC)=O)cccc2	1586
+CCOP(OCC)(Cc1cc(C#N)ccc1)=O	590
+CCOP(OCC)(Cc1cc(ccc1)Oc2ccc(Br)cn2)=O	1060
+CCOP(OCC)(=O)C1C(N2C(CCC2c3cc(F)c(cc3)F)CC1)=O	9879
+C(C)OP(OCC)(=O)Cc1ccc(cc1)C#N	590
+C(C)OP(OCC)(=O)Cc1ccc(cc1)C#N	1060
+O(CC)P(OCC)(Cc1ccc(cc1)C(=O)c2ccccc2)=O	590
+C(C)OP(OCC)(Cc1ccc(cc1)OCC2(CCCCC2)C)=O	590
+c1cc2c(cc1)n(c3c2cccc3)CCCP(OCC)(OCC)=O	1586
+c1cc(ccc1OP(OCC)c2ccccc2)OC	9880
+COc1cc(OCC)c(cc1)C(=O)O	6
+O(CC)c1c2c(cn(C)c2ccc1F)CC(=O)O	4
+c1ccccc1CNC(=O)Cc2cn(c3ccc(c(OCC)c23)F)C	9
+c1cc(OCC)cc2CC(Nc12)=O	1290
+O(CC)c1cc(cc(OCC)c1-n2cccc2)C=O	39
+O(CC)c1ccc(CC)c(c1)O	165
+c1ccccc1COc2c3c(nc(N)n2)n(CC4C(CC=CC4)COC(=O)C)cn3	637
+O(CC1C(CO)CC=CC1)C(=O)C	59
+c1(cc2NC(=O)COc2cc1)N3CC(CC3=O)COCOC	654
+c1ccccc1COc2c(cc(OCC3OC3)cc2)C(C)=O	22
+c1cc(ccc1OC)CC(C)(C)NCC(O)COCC=C	122
+c1c(c(O)c(Cl)cc1)CC=C	423
+c1cc(ccc1)Cn2c3c(c(OCC(=O)OCCBr)ccn3)cc2C	9881
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCOC(=O)C)c(cc45)OC)C)C	8
+C(O)CC1n2c(cc(I)c2)C(NC1)=O	665
+c1cc(ccc1I)-n2nnc3cnc(Cl)nc23	3105
+c1cc(ccc1-n2nnc3c2nc(Cl)nc3)OC	3105
+c1cc(ccc1OCCOC)-n2nnc3c2nc(Cl)nc3	3105
+c1(ccc(C)n1-c2cc(C)c(c(CCCCCCCCCCOCOC)n2)OCc3ccccc3)C	3008
+C1(OCCCCCCCCCCCOCc2ccco2)CCCCO1	176
+c1cc(ccc1)COc2cc(OCCCCCCCCCCCCCCCCCC)cc(C(=O)OC)c2	22
+c1cc(ccc1C(C)C)CNCCCOCC	42
+c1cc(NC(=O)OCCCl)ncc1Br	278
+c1cc(ccc1CC(OCC)=O)NC(=O)COCCCl	26
+O(CCSC(=O)C)Cn1c2ncccc2nc1	4893
+COCCN(CCOC)c1c([N+](=O)[O-])cc(-c2onc(-c3ccccc3OC)n2)cc1	910
+c12c(C(=O)N(C1=O)CCN3C(=O)C(C(NCCOCC)=O)=C(O)c4c3cc(cn4)Cc5ccc(cc5)F)cccc2	1112
+C1(=NCCc2ncccc2)C(N(C(=CN1)Cl)CCOC(C)=O)=O	9882
+O(CCN1Cc2n(nc(N)c2)CC1)C	161
+C(COCC(=O)NCCOCCOCCOCCN=[N+]=[N-])(=O)O	206
+Fc1cc(cc(F)c1Oc2ccc(cc2)S(=O)(=O)NCCOCCOCCOCCN=[N+]=[N-])C=C(C)C(=O)OCC	71
+c1cc(ccc1[N+](=O)[O-])C=Cc2cnc(OCCOCCOCCO)cc2	91
+c12n(COCCOC)c(nc1c(c(Cl)c(Cl)c2)Cl)Cl	9883
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCCOC)C	36
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C	1293
+c1ccccc1CSc2c(cc(cc2)[N+]([O-])=O)CCOC	607
+O(COC)c1ccc2ccc(nc2c1C#N)CO	453
+O(Cc1c(ccc([N+]([O-])=O)c1)C(=O)O)c2cccc(NC(C)=O)c2	1
+O(Cc1cc(N)ccc1Cl)c2cccnc2	0
+O(Cc1cc(N)ccc1Cl)c2cnc(cc2)F	0
+C(O)c1ccc(Br)c2oc(nc12)C	88
+C(O)c1ccc(c2c1cn(C)n2)F	88
+O(Cc1ccc(cn1)F)c2cc(c(cc2)CC[N+](=O)[O-])F	364
+n1c(COC2COCC2)cccc1CN	421
+O=C1N(CCO1)c2ccc(NC(=O)N(OC)C)cc2Cl	2083
+c1cc(ccc1)CN(Cc2ccccc2)C3COc4c(C3)c(-c5cnc(c(C(=O)NC)c5)OC)ccc4	156
+O=C(c1cccc(OCc2cccc(F)c2)c1C(=O)OC)O	1
+c12c(cccc1)C(=O)N(C2=O)CCCCCCCCOc3c(cccc3)C	1656
+c12c(ccnc1cccc2)NCCCCCCCCOc3c(C)cccc3	105
+c1ccn(c1)-c2cc(c(nc2C)OC)CC	9884
+O(c1c(CC)cc(c(C)n1)C(=N)NO)C	3106
+CCc1c(O)nc(C)c(c1)-c2cccs2	104
+CCc1c(O)nc(C)c(-c2ncon2)c1	104
+O(c1c(cc(F)cn1)C=O)C	200
+O(c1c(Cl)ncc(CO)c1)C	382
+O(c1c(Cl)ncc(CSC)c1)C	9885
+c1(cc(CNc2nc(ccc2)F)cnc1OC)F	4894
+c1cc(ccc1Cl)CNC(C2=CN(c3nc(c(cc3C2=O)I)OC)C)=O	3757
+O(c1c(I)cc2C(C(=CN(C)c2n1)C(=O)O)=O)C	108
+Clc1cnc(c(c1)Nc2c([N+]([O-])=O)cc(C)c(Cl)n2)OC	1970
+O(c1c(OC)cc2c(c(ncn2)Nc3cc(ccc3)Br)c1)C(C)=O	73
+c1cc(ccc1F)Nc2c3c(ncn2)cc(c(OC(C)=O)c3)OC	73
+c1(cc(ccc1)Nc2c3cc(c(OC)cc3ncn2)O)Br	173
+c1cc(ccc1C(=O)O)CNc2nc(ccn2)-c3ccc(c(OC)c3)OC	4775
+c1(c(O)c(ccc1)C(=O)C)OCC=C	1691
+c1ccc(OCCC)c(N)c1	0
+O=S(=O)(Cc1cccc(OCCCCl)c1[N+]([O-])=O)c2c3c(ccc2)cccc3	1177
+O(c1c(c(CCC=C)cc(C)n1)CN)C	388
+O(c1c(c(cc(C)n1)C(CC=C)C)CN)C	388
+c1ccccc1CN2N=C(C(C(OC)=C2)=O)Cl	9886
+O(c1c(N)cc(CC)c(C)n1)C	13
+O(c1c(C(=O)O)cc(F)cn1)C	3070
+c1ccccc1S(=O)(=O)n2cc(c3cc(Br)cnc23)Cc4c(nc(cc4)NCc5c(ncc(c5)F)OC)F	4894
+O=C(c1c(c(c(cc1)OC)OC)N)O	0
+O=C(N)c1c(O)nc(F)cn1	3107
+O=S(=O)(c1ccc(cc1)C)n2ccc3c(cnc(OC)c23)Br	9887
+n1ccc2n(cc(I)c2c1OC)C(CC)COC	9888
+c1cc(ccc1-c2nn3cc(OC)ccc3c2C(=O)c4nc(ccc4)C(=O)OC)F	9889
+c1cc(ccc1)NCC(=O)N2C3C(CCC(NC(=O)Nc4ccc(F)c(F)c4)C3)(CC2)c5ccc(OC)c(c5)OC	1391
+c1cccc2C(=O)N(C(c12)=O)CC(c3c(Cl)cc(cn3)OC)=O	9890
+O=S(=O)(Nc1ncc(Cl)cc1OC)c2cc(cnc2)Br	4895
+O=S(=O)(c1cnc(Cl)c(Br)c1)Nc2ncc(Cl)cc2OC	4895
+c1(ccc(NC(C)=O)cc1O)[N+]([O-])=O	173
+C1Cc2c(NC1=O)c(cc([N+]([O-])=O)c2)O	173
+c1(cc(cc(OC(=O)C)c1)C=Cc2ccc(cc2)OC(CCl)=O)OC(=O)C	9891
+c1c(OC)cc(cc1-c2cc(c(cc2F)[N+]([O-])=O)C3OCCO3)OC	1435
+c1(OC)cccc(c1)C(c2cccc(OC)c2)=CC#N	3099
+c1(OC)cc(cc(OC)c1)C=2C(N(C)c3cc(Cl)ncc3C=2)=O	9892
+c1cc(ccc1C(Nc2cc([nH]n2)CCc3cc(OC)cc(OC)c3)=O)N4CC(N(C)CC4)C	9893
+O(C)c1cc(cc(OC)c1)CCc2[nH]nc(NC(c3cnc(nc3)N4CCCN(CC4)CC)=O)c2	9894
+O(C)c1cc(cc(OC)c1)Nc2nc(Nc3c(cccc3)S(=O)(=O)C)c(cn2)C(=O)OCC	73
+c1(OC)cc(cc(OC)c1)OCC(O)=O	3
+COc1cc(cc(OC)c1C(=C)C)OC	1707
+O(C)c1cc(cc(OC)c1OC)-c2nccc(CN)c2	45
+C1CC(CCN1Cc2cc(ncc2)-c3cc(OC)c(c(OC)c3)OC)Nc4cc5c(cc4)OCO5	231
+c1(cc(cc(OC)c1OC)C(N)=S)OC	581
+O(c1c(C(=O)c2c(ccc(Br)c2Cl)OC)c(cc(c1OC)OC)C)C	222
+c1(OC)cc(cc(OC)n1)CO	49
+COCCOc1cc(cc(OCCOC)c1)CCl	438
+N1(c2c(Cl)cccc2)c3cc(OC)cc(-c4ccccc4Cl)c3CCC1=O	11
+c1cc(ccc1Br)Oc2c3CCC(c3c(cc2)F)Oc4ccc5c(c4)OCC5CC(OC)=O	472
+c1cc(Oc2cc(NC)ncn2)cc3CCCNc13	1352
+O(c1ccnc(CCC)c1)C	174
+c1ccccc1CNCc2cc(Br)ccc2Oc3c(OC)ccc(CC(=O)OCC)c3	42
+c12n(ccn1)c3ccccc3c4c2cc(cc4)Oc5cccc(c5)Oc6ccccn6	754
+c1c(N)cc(Oc2cnc(cc2)Cl)cc1	106
+c1c(OC)c(c(cc1)OC)C(CC)C	564
+c1c(Oc2cccnc2C#N)cc(F)cc1	9895
+c1(ccccc1OC)OC(CNCCCc2c3cc(ccc3[nH]c2)F)C	463
+O(c1cccnc1)c2cc(OCCOC)c(nc2)NC(=S)n3cncc3	9896
+NC(Nc1ncc(Oc2cccnc2)cc1OCCOC)=S	9897
+O(c1cccnc1Br)CC(=O)O	4
+O(C)C1=CC=CN2C1=NNC2=O	9898
+c1cc(ccc1-n2cc(nc2)CNC(c3sc(cc3)Cl)=O)N4C(C(OC)=CC=C4)=O	9899
+c1cc(ccc1)CN2C(C(=CC=C2)OC)=O	4896
+O(CC(=O)OC)c1c(O)cccn1	2156
+O(C)c1sc(C(=O)O)cc1	9900
+O(c1ccnc(-c2cnn(C)c2)c1)c3cnc(cc3)N	161
+O(c1ccnc(-c2oc(nc2)C)c1)c3cnc(cc3)N	161
+c1(-c2nccc(OC)c2)cc([N+]([O-])=O)ccc1	119
+c1cc(ccc1-c2cc(OC)ccn2)F	119
+n1ccc(Oc2cnc(cc2)[N+]([O-])=O)cc1NC(C)=O	1153
+c1cc(ccc1)CN2C(C=C(OC)C=C2)=O	9901
+c1cc(ccc1)Cn2c3c(cc2C)c(ccn3)OC	1836
+O(c1ccnc2c1cc(C)[nH]2)C	9902
+c1c(c(-c2nc(OC)c(c(c2)N)[N+](=O)[O-])ccc1)Cl	140
+Nc1ccc(OCC)nc1NC	13
+O(c1c(N)cc(Cl)cn1)C	13
+Fc1cc(c(F)cc1C)-c2ccc(nn2)OC3CCN4CCCC3C4	519
+NC(=O)c1c(NCc2cnn(C)c2)nc(Nc3cccc(c3)NC(C)=O)nc1	9903
+c1(cc(cc(F)c1-c2c(c(nnc2C)-c3c(cccc3)F)-c4cc(OC)cc(OC)c4)F)F	9904
+c1cc(ccc1-n2c(c(Cl)nc2C)-c3c(F)c(C#N)ccc3F)Cl	4778
+c1cc(ccc1C23Cn4c(C(=O)N2CCN3)ccc4C)OC	9905
+c1cc(ccc1N2C(=Nc3c(cccc3)C2=O)c4cnc(C)cc4)C5CCCC5	4650
+Cc1ccc2nc(C)ccc2c1[N+]([O-])=O	9906
+c1ccccc1COc2c3n(cc(c2)C)c(c(n3)C)C(OCC)=O	4788
+C1CC1C(c2cccc(c2)O)CC(=O)O	9907
+C1CC(C(C)O1)Sc2c3ccccc3ncc2I	1275
+Cc1cc(cc(C)c1)OCC(O)C	626
+c1cc(ccc1[N+](=O)[O-])Oc2c3c(cc(OCC(O)C)cc3)ncc2	626
+C(O)(C)Cn1c2c3c(CCCc3n1)cc([N+]([O-])=O)c2	4411
+c1ccccc1COc2cc(ccc2)C3(CC(OCC3)C)O	251
+c1(ncnc2[nH]cc(c12)-c3cc(ccc3)C#N)N4CCOC(C)C4	778
+C1CC(CCN1CC(O)COc2nccnc2Cl)N3CCN(c4ccccc4)C3=O	170
+O1C(COc2c(cccc2)C=Cc3cc(no3)CC)C1	8
+O1C(COc2c(NC(=O)N)cccc2)C1	8
+c1(cccc(OCC2CO2)c1)Br	8
+c12ccc(F)cc1c3c(n2CC4CO4)cc(F)cc3	935
+c12c3ccc(F)cc3n(c1cc(F)cc2)CC4CO4	935
+O(CC1CO1)c2ccc(c(C(=O)C)c2)O	8
+c1ccccc1-n2c3ccccc3c(c2N4CCN(CC5OC5)CCC4)C=O	28
+c1ccccc1C(=O)Nc2c(cccc2)OCC3CO3	8
+c1cc(ccc1Br)OCC2CO2	8
+c1cc(ccc1OCC2CO2)Nc3ncnc(c3)Nc4cccc(c4)C	8
+c12c(cccc1)c3c(cccc3)n2CC4OC4	935
+O1C(COc2ccccc2-c3ccc(Cl)nn3)C1	8
+c1cc(cc(c1)C)Nc2ncnc(Nc3cc(ccc3)OCC4OC4)c2	8
+c1cc(ccc1CC)OCC(CC)O	626
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CCC3CO3)CC2)=O)=O	638
+O=S(=O)(c1ccc(cc1)CNCC(O)CCC)C	122
+c1c(ccc(c1C(OCCCCCCCCOC(C2CCCO2)=O)=O)O)O	9908
+O1C(CCC1CCCCCCCC(=O)O)CCC(O)(CCCCC)C	736
+O1C(CCCCCCCC(=O)O)CCC1CCC(CCCCC)=O	4
+O(CC1OC1)c2c(cccc2)OC	72
+C(COc1cccc(C=O)c1)(CCl)O	626
+c1cc(ccc1)-c2cc(C(=O)CCc3cc(C)c(c(C)c3)OCC4CO4)sc2CC	72
+c1cc(ccc1)COc2c(ccc(C3=CC(c4c(O3)ccc(OCC5CO5)c4)=O)c2)OCc6ccccc6	72
+c1cc(ccc1)COc2cc(cc(OCc3ccccc3)c2)C4=CC(c5ccc(cc5O4)OCC6OC6)=O	72
+c1cc(ccc1-c2nc3c(ccc(c3)OCC4OC4)o2)C#N	72
+c1cc(ccc1OCC2CO2)C(=Cc3ccc(F)c(c3)C)C(OC)=O	72
+c1cc(ccc1OC)C=2C(=O)c3ccc(cc3OC=2)OCC4CO4	72
+c1cc(ccc1C2(C(N(C)c3c(S2)cccc3)=O)C#N)OCC4CO4	72
+C1CCC(C1)OCCOc2ccc(cc2)OCC3OC3	72
+O1C(COc2c3c(ccc2)[nH]c4c3cccc4)C1	72
+c12c(cccc1)CCc3c(cccc3)N2CC4OC4	9909
+c1ccccc1-c2cc(C(=O)CCc3cc(C)c(c(C)c3)OCC4CO4)sc2C	72
+c1cc(ccc1NC(NCC2OCCN(Cc3ccc(Cl)c(Cl)c3)C2)=O)Oc4ccccc4	282
+c1cc(ccc1OCC(O)CO)CCCCO	626
+c1ccccc1COCC2OC2	149
+c1ccccc1COC(NCCCCc2ccc(c3ccccc23)OCC(O)CO)=O	626
+c1cc(ccn1)OCC2CO2	1175
+Nc1c(ncnc1NC2COC(CO)C2)Cl	40
+O=S(=O)(c1ccc(cc1)C)OCC2OCN(C2)c3cc4N=C5N(c6c(cc(F)cc6)C5=O)C(=O)c4cc3	36
+O=S(=O)(OCC1CNC(=O)CO1)c2ccc(cc2)C	36
+c1(N2CC(CO)OC2=O)ccc(N3CC(N(CC3)C)=O)c(F)c1	1774
+c1(N2CC(CO)OC2=O)ccc(N3CC(N(CC3)CCOC)=O)c(F)c1	1774
+O=S(=O)(c1ccc(cc1Cl)Cl)NCCCCNCC(COC)O	122
+c1cc(ccc1C)S(=O)(=O)n2c3ncc(cc3c(-c4ncc(c(NC5CCCN(C5)CC(O)COC)n4)F)c2)Cl	170
+C(CNCC(COc1c2c(ccc1)[nH]c3c2cccc3)O)COc4c(Cl)cc(cc4)C5=NNC(CC5)=O	122
+C1CN(CCN1Cc2ccccc2)CC(O)COc3cccc4[nH]c5c(cccc5)c34	170
+c1cc(ccc1)CN2CCC(CC2)NCC(O)COc3cccc4c3c5c([nH]4)cccc5	122
+c1ccccc1CN(CC(O)COc2cccc3[nH]c4c(cccc4)c23)CCOc5c(cccc5)OC	170
+c1cc(ccc1)C(c2ccccc2)OCC3CCN(CC3)CC4(C)Oc5c(C4)c(C)c(N)c(C)c5C	28
+O=Cc1c(ccc(c1OC)OC)O	805
+c1(ccc2c(c1)COC2=O)NCCCl	15
+C1(CCO)OCCc2ccccc12	21
+c12c(C)cccc1c(ccc2C(=O)N3CC4OCC3C4)OC	30
+O=S(=O)(c1ccc(NC(CCCc2ccc(cc2)B(O)O)=O)cc1C#N)CC	9910
+CC1(C)COB(OC1)c2c(cc3c(c(c[nH]3)C(OC)=O)c2)Cl	734
+CC1(C)COB(OC1)c2c(Cl)cc3c(c2)cc[nH]3	734
+C1OB(OCC1(C)C)c2cc([N+]([O-])=O)cc(c2)F	734
+C1OB(OCC1(C)C)c2cc(N)c(cc2)-n3nccc3	734
+O1CC(COB1c2ccc(cc2)C3CCN(C(=O)OC)C3)(C)C	734
+C1OB(OCC1(C)C)c2ccc(cc2)OCCN3CCOCC3	734
+C1OB(OCC1(C)C)c2ccc(cc2)OCCO	734
+C1OB(OCC1(C)C)c2cc(-c3cccnc3)ccc2	734
+OCCC1COc2c(cccc2)O1	88
+c1cc(ccc1-c2c(cc3c(c(C=O)c[nH]3)c2)Cl)C4CCN(C(=O)OC)C4	749
+OCC(CO)(NC(CCl)=O)c1cc(ncc1)Br	1192
+c1c(C)c(c(cc1-c2nc(on2)-c3sc(C)c4C5C(Cc34)C5(C)C)C)OCC6COC(OC6)(C)C	20
+CC1(C)OCC(CO1)c2ccc(cc2)Oc3c(C)c(ncn3)OC4CCN(CC4)c5ncccn5	185
+O1CC(COC1(C)C)c2ccc(cc2)Oc3ncnc(c3[N+]([O-])=O)Cl	185
+O1CC(COC1(C)C)c2ccc(cc2)O	16
+CC(C)c1noc(C2CCN(CC2)c3ncnc(Oc4ccc(cc4)C(CO)CO)c3[N+]([O-])=O)n1	1192
+O1CC(COC1(C)C2CCC(CC2)=O)(C)C	86
+C1OC2(CCC2)OCC1COc3c(C)c[n+]([O-])c(c3C)C	857
+C1OC2C(COC2C1N=[N+]=[N-])N	18
+O1CC2(COC1(OC2)C3CCC(CC3)C#C)CCC	9911
+C(N(C)C1CCOc2cccnc12)c3nc4cccc(F)n4c3	4675
+c1c(cc2c(noc2c1)OCC3CCO3)Br	9912
+c1ccccc1[Si](c2ccccc2)(OCC3C(O)CCCO3)C(C)(C)C	328
+C1OC(C(Nc2cc(ccc2Nc3c(c(C(=O)OC)ccc3)C)F)=O)CC1	1294
+C1CCOC1Cn2c3cccc(Cl)c3cc2	339
+C1CCOC1COc2cccc(Br)c2	20
+C1CCOC1COc2c(ccc(n2)C(=O)O)Br	91
+c1cc(ccc1C(Nc2nc(OCC3OCCC3)cc(n2)Nc4cnccn4)C)F	145
+C1OC(CCC1)Oc2cc(O)c(C=O)c(Cl)c2	1136
+C1OC(CCC1)OCCCCBr	219
+Cc1c(cnn1C2CCCCO2)Br	1738
+C1CCCC(n2cnc3c2nc(nc3Cl)C)O1	3673
+c1(OC)cc(cc(OC)c1)-c2ncc3c(nn(c3c2)C4CCCCO4)I	580
+C1OC(CCC1)OCC2CCc3cc([N+]([O-])=O)ccc3O2	219
+n1(nc(cc1[N+]([O-])=O)C(=O)OC)C2CCCCO2	1738
+C1OC(CCC1)OCC2Oc3c(cc(cc3CC2)F)[N+]([O-])=O	219
+n1c2cc(cc([N+]([O-])=O)c2cn1C3CCCCO3)Br	4897
+c1(C=O)cccc(c1)OC2OCCCC2	1136
+c1(cc2n(C3CCCCO3)ncc2cc1Br)F	580
+C1CCCC(O1)n2cnc3c2cc(cc3C)Br	3108
+C1CCCC(O1)n2cnc3c2cc(Cl)nc3C#N	3108
+C1CCCC(O1)n2cnc3c2ccc(Br)c3Cl	3108
+C1CCCC(n2c3ccc([N+]([O-])=O)cc3c(C=O)n2)O1	580
+C1CCCC(n2c3cc(ccc3cn2)CBr)O1	580
+C1CC=COC1n2nc(c3c2cccc3)Br	9913
+C1OC(CCC1)OCCc2nc(ccc2)Br	219
+c1(Cl)cncc(Cl)c1COC2OCCCC2	219
+c1cc2n(C3CCCCO3)nc(C(N(OC)C)=O)c2cc1I	580
+O1CCCCC1Oc2ccc(OC)c(OC)c2	1136
+n1c2c(cc(c(Br)c2)O)cn1C3CCCCO3	4897
+c1c(cc2c(c1)n(C3CCCCO3)nc2C(=O)OC)Br	580
+c1c(cc2c(c1)n(C3CCCCO3)nc2)Br	580
+C1OC(CCC1)Oc2cc3ccc(Cl)nc3cc2	1136
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c(n(C4CCCCO4)nc3)cc2Br	580
+c1cc(ccc1)C(OCC(COC2CCCCO2)C)=O	219
+c1ccccc1C(C)(COC2OCCCC2)CCCCCN	219
+c1ccccc1C(CCCCBr)(C)COC2OCCCC2	219
+c1cc(ccc1)COc2cc(C(OCC)=O)nc(COC3CCCCO3)c2	219
+c1cc(ccc1Cl)-c2c(sc(c2)Br)COC3CCCCO3	219
+c1cc(ccc1Br)C(C)CCOC2CCCCO2	219
+c1cc(ccc1C)S(=O)(=O)OCCOCC(OC2OCCCC2)c3ccc4sccc4c3	219
+c1cc(ccc1C2C(c3ccc(Cl)c(F)c3)=C(C)c4c(O2)ccc(c4)OC5CCCCO5)I	1136
+c1cc(ccc1CC(=O)c2c(cc(cc2)OC3CCCCO3)O)F	9914
+c1cc(ccc1CCOC2CCCCO2)Br	219
+c1cc(ccc1F)-c2nn(C3OCCCC3)c4ccc(cc24)Br	580
+c1cc(ccc1I)OC2OCCCC2	1136
+c1cc(ccc1N(CCCCCCOC2CCCCO2)CC)Br	219
+c1ccccc1COc2cc(COC3OCCCC3)ccc2I	219
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3ccc4c(n(nc4C(OCC)=O)C5OCCCC5)c3	580
+C1CCCC(n2cc(cn2)Br)O1	1738
+C1CCCC(n2cnc(-c3c(c(c(Br)s3)C#N)Br)n2)O1	9915
+O1CCCn2c1c(C(=O)C)cn2	9916
+c1(cc(C#N)ccn1)-c2cn(CC3CN(C)CCO3)cn2	871
+c1cc(ccc1F)N2CCN(CC2)C(OCC3CN(C)CCO3)=O	2078
+c1cc(ccc1C)OCCNC(=O)C	9917
+O=Cc1cc(cc(OC)c1OCOC)N2CCOC2=O	2663
+N1(CCOC1=O)Cc2cc(ccc2Cl)Br	9918
+c1cc(ccc1N2CCOC2=O)C(CCC(CCC(=O)OCC)=O)=O	2663
+c1cc(ccc1)CN2CCOC(C2)CCC#N	171
+C1C(CC1)c2ccc(c(F)c2OC)-c3cc4OCCNc4nc3	89
+Brc1cc(cc(Br)c1OC)C(=O)N2c3ccncc3OCC2	448
+c1([N+]([O-])=O)cccc(-c2cc3c(OCCN3)nc2)c1	89
+c1(cc(cc(Br)c1O)C(N2c3c(nccc3)OCC2)=O)Br	3002
+O=S1(=O)CCCN1CC23CC4CC(C2)C(C(C)=O)(C3)C4	97
+C1(=O)CCC(=O)N1OC(CCC2(OCCO2)C)=O	884
+O1CCOC1(C)CCCNc2c(cnc3ccccc23)N	13
+C1COC(O1)(C)CC(Cc2ccccc2)N	45
+C1CC1(O)CC(c2cc(ccc2F)Br)=O	1367
+O1CCOC1(CCOc2c(C)c(ncc2)COC(=O)C)CCC	174
+O1CCOC1(CCOc2ccnc(CO)c2C)CCC	59
+c1cc(ccc1C(=O)c2ccc3c(c(cc(O)n3)-c4cccc(c4)OC)c2)Cl	4898
+O1CCOC1(C)c2cccc(C(CCON=C(c3nc(C)ccc3)C)O)n2	3214
+O1CCOC1(c2oc3c(c(ccc3OC)N)c2)C	0
+O1CCOC12CCC(C2CCCCCCCO)C=O	9919
+C(O)CCCCCCC1C(CCC1C=CC(C(C)CCCC)=O)=O	97
+O1CCOC12C(CCCCCCCO)C(CC2)C=CC(O)C(CCCC)C	1565
+C(O)CCCCCCC1C(CCC1=O)C=CC(O)C(CCCC)C	97
+c1cc(ccc1CNC2CCC3(OCCO3)CC2(C)C)OC	87
+O1CCOC12CC(c3cc(c(cc3F)C(=O)O)F)CC2	595
+C1CC2(CCC1c3cccc(F)c3)OCCO2	191
+C1CC2(OCCO2)CCC1c3cc(F)c(cc3)F	191
+CC(C)Oc1cc(c(cc1[N+]([O-])=O)C)C=2CCC(CC=2)=O	9920
+C1(CCN(C)C(CC1)=O)=O	97
+O1CCOC12C(CCCCCCCO)C(C=CC(=O)C(CCCC)C)CC2	9921
+c1cc(ccc1C(C#CC2(CCC3(CC2)OCCO3)O)O)C	4019
+C1COC2(O1)CCC(CC2)(NC(=O)OCc3ccccc3)C	3791
+C1CC(CCC1=O)(OC)C	97
+C1CC(CCC1=O)(OC)c2c(Cl)cccn2	97
+c1cc(ccc1F)C2(CCC(CC2)=O)OC	97
+O1CCOC12CCC(c3cc(F)c(F)cc3F)=CC2	252
+C1CC(CCC1=O)(c2cnc(cc2)C#N)O	97
+O1CCOC12CC=C(CC2)c3cc(F)ccc3	252
+c1cc(ccc1CC2CCC3(CC2)OCCO3)F	1028
+c1cc(ccc1)CC2CCC3(CC2)OCCO3	1028
+C1COC2(CCC(CC2)O)O1	100
+C1COC2(CCC(CC2)(C)O)O1	736
+O1CCOC12CCC(CC2)(c3c(cc(c(F)c3)F)F)O	251
+C1CC(CCC12OCCO2)(O)c3cc4c(OCO4)cc3	251
+C1CC(CCC12OCCO2)(c3ccc(O)cn3)O	938
+C1COC2(O1)CCC(CC2)NC(C)c3ccccc3	87
+C1COC2(CCC(CC2)Nc3ccnn3Cc4ccccc4)O1	1270
+C1CC(CCC12OCCO2)=CCC(C)C	9922
+O1CCOC12CCC(CC2)=Cc3ccc(cc3)F	9923
+c1cc(ccc1C2(CCC3(OCCO3)CC2)O)F	1035
+O1CCOC12CCC(CC2)(c3ccc(nc3)F)O	1239
+O1CCOC12CCC(CC2)Nc3ccccc3O	231
+C1COC2(O1)CCC(CC2)=Cc3ccccc3Cl	9924
+C1COC2(CCC(CC2)Nc3[nH]cnn3)O1	1478
+C1COC2(CCC(CC2)C=O)O1	578
+C1COC2(CCC(CC2)CO)O1	44
+O=S(=O)(C)c1ccc(cc1Cl)C(C(OC)=O)CC2CCC(CC2)=O	97
+C1CC(CCC1=O)Cc2c(cccc2)Cl	97
+C1CC(CCC1=O)c2cc(c(F)cc2F)F	97
+C1CC(CCC1=O)c2cnc(N)c(-c3cc(c(C(NCc4ccccc4)=O)cc3)F)n2	97
+O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3	191
+C1CC2(CCC1=O)CN(CCCC)CC2	97
+c1cc(ccc1CCN2CCCC3(OCCO3)CC2)OC	28
+O1CCOC12CCCNCC2	215
+C1CN(CCC1=O)c2ccc(Cl)c(c2)OC	97
+c1cc(ccc1N2CCC(CC2)=O)Br	97
+C1CN(CCO1)Cc2ccc(cc2)N3CCC(CC3)=O	97
+C1CC(CCN1c2n(Cc3ccc(cc3)F)c4c(cccc4)n2)=O	97
+C1CC(CCN1c2ncc(cn2)Cl)=O	97
+C1CC(CCN1c2snc(n2)C)=O	97
+O1CCOC12CCN(CC2)c3snc(n3)C	4160
+O1CCOC12CCN(CC2)c3ccc(Cl)c(c3)OC	79
+C1COC2(O1)CCN(CC2)Cc3ccc(c(F)c3)F	9925
+O1CCOC12CCN(CC2)c3ccc(cc3)C=O	34
+O1CCOC12CCN(CC2)c3ccc(cc3)Br	560
+C1CC2(CCN1CCCOCCc3ccccc3)OCCO2	61
+O1CCOC12CCN(CC2)c3ncc(cn3)Cl	117
+C1CN(CCC12OCCO2)c3ncnc(Cl)c3	54
+C1COC2(CCN(CC2)c3nc4c(c(NC)n3)nc(NCCC)nc4NC)O1	549
+CC(C)C1CC(CCS1)=O	97
+CC(C)C1CC(C(C)CC=O)CCC1	812
+CC1(C)C2(C(CC1CC=O)C2)C	812
+c1cc(ccc1CCCC=O)C#N	812
+c1cc(ccc1CCC=O)-c2c(F)c(c(cc2)OCC)F	812
+CN(C)c1cc(ccc1O)C=O	494
+c1ccccc1Cc2c(F)ccc(c2)C=O	494
+NC1=C(NCCCOc2cc(ccc2)C=O)C(=O)C1=O	494
+c1cc(ccc1F)Cc2oc3c(c2)cc(cc3)C=O	494
+O1CCOC1c2cc(Cl)c(cc2)Oc3cc(N)c(cc3)N	2609
+O1CCOC1c2ccc(cc2)Oc3ccc(N)c(C)c3	0
+O1CCOC1c2cc3c(oc(Cc4ccc(cc4)F)c3)cc2	9926
+O=Cc1cc(-c2nc(SC)nc(C)n2)c(nc1)Nc3ccc(nc3)OC	9927
+O1CCOC1c2cnc(Nc3ccc(nc3)OC)c(c2)-c4nc(SC)nc(C)n4	2097
+c1(c(N)cc(F)cn1)C=O	9928
+c1cc(ccc1S(=O)(=O)Nc2c(nc3c(cccc3)n2)Nc4ccc5OCCOc5c4)Cl	9929
+c1(-c2nc3n(c2Nc4cc5c(OCCO5)cc4)c(F)ccc3)c(cccc1Cl)F	1891
+c1(I)c2CCOc2ncc1[N+](=O)[O-]	475
+O1CCc2c3n(ncc3CCN)ccc12	51
+c1(Nc2nc(Cl)ncc2)c(Cl)ccc3OCOc13	73
+O=S(=O)(C)OCC(CCCCC)c1c2OCOc2ccc1	7
+c1(n(c2nc(nc(N)c2n1)F)CCCCCCCO)Cc3c(I)cc4OCOc4c3	4777
+c1cc(ccc1OC(C(=O)N2OCCC2)C)O	9930
+O1c2cc(ccc2CCC1C(OCC)=O)O	165
+O1CCNc2c1ncc(Br)c2	15
+O1CCNc2cccnc12	15
+O1CCNc2c1cncc2	15
+CC1(C)Oc2cc([N+](=O)[O-])ccc2O1	77
+c1(c2OC(CO)CCc2cc(c1)F)[N+]([O-])=O	21
+C(CC1Oc2c(C1)cc([N+]([O-])=O)cc2)C#N	31
+c1c(cc2OCOc2c1CC)Br	414
+c1ccccc1COCCCOc2ccc3CCC(C(=O)OCC)Oc3c2	8
+c1cc(ccc1)CN2c3c(OC(C2)C(OCC)=O)ccc(Cl)c3	507
+c1cc(ccc1Br)S(=O)(=O)OCC2COc3ccc4nc(C)ccc4c3O2	1226
+c1cc(ccc1S(=O)(=O)OCC2COc3ccc4nc(C)ccc4c3O2)C	36
+Cc1nc(CNC(C2CNc3c(cccc3)O2)=O)on1	9
+O1CCNc2c1ccnc2	15
+c1(c(c(c2c(c1)CC(C2=O)CCCl)Cl)Cl)OC	9931
+O=C(C(=COC)c1ccccc1Oc2cc(N)ccc2)OC	2737
+n1c(Br)ccc(c1)C2N(c3c(Cl)cccc3)N=C(C(OC)=O)C2	9932
+O=C(C(=O)c1cc(NC(C)=O)c(cc1C)F)OCC	26
+c1[nH]c2cccc(Cl)c2c1CCO	9933
+N1C(C(c2c3c4n(c2)CCc4ccc3)=C(C1=O)c5c[nH]c6ccccc56)=O	2218
+O=C(C(=O)c1c(cc(F)c(N)c1)C)OCC	0
+S(C)c1ccc(cc1Cl)C(=O)C(O)=O	4714
+Cc1c(C(=O)OC)nc2n1nc(cc2)Cl	9934
+c1ccccc1COc2ccc(cc2)-n3c(c(nc3-c4ccc(cc4Cl)Cl)C(=O)OCC)C	4900
+c1cc(ccc1OCc2ccccc2)-n3c(nc(C(OCC)=O)c3C)-c4ccccc4Cl	4900
+c1cc(ccc1C)Cc2nc(O)c(nn2)C(NC(=O)C(CCCCC)C(C)=O)C	4901
+c1c(C2NC(C(=O)OC)(C)Cc3c4cc(OC)ccc4[nH]c23)cccc1O	3109
+c1cc(ccc1)C2NC(C)(Cc3c4c([nH]c23)ccc(OC)c4)C(=O)OC	3109
+c1c(C2NC(C(=O)OC)(C)Cc3c4cc(OCC)ccc4[nH]c23)cccc1O	3109
+c1ccccc1COC(=O)NCC(C)C(O)=O	101
+c1c(cc2c(c1)C=C(CC(=N)N2)C(=O)OCC)Br	9935
+C(N(OC)C(C1=C(O)C(=O)N(C1)C)=O)c2cccc(F)c2	4902
+C(OC(CC(CO)N1C(NC(C=C1)=O)=O)=O)C	44
+o1nc(cc1-c2cc(ccc2)Br)C(=O)OC	1208
+c1c(nn(-c2nnc(cc2)Cl)c1-c3ncccc3)C(=O)OC	4903
+c1cc(ccc1C)-c2n3c(c4ccccc4n3)nc(c2C(CCC)C(OC)=O)C	2057
+c1cc(ccc1)[Si](c2ccccc2)(OCC(C)C(OC)=O)C(C)(C)C	328
+C(C)OC(c1csc2cc(OC)ccc12)=O	9936
+O=C(C(C)(Cc1c[nH]c2c1cc(OCC)cc2)N)OC	9937
+CCOC(c1cc2c(c(Cl)ncc2)[nH]1)=O	4904
+Clc1cc(Cl)nc(c1)NC(C(OC)=O)C	4905
+C1(NC(=O)C(c2c3n(ccc3ccc2)CC)=C1c4c[nH]c5ccccc45)=O	2218
+c1c2c(ccc1CC)c(C=3C(NC(=O)C=3c4c5c(ccn5C)ccc4)=O)c[nH]2	2218
+c1(cc(ccc1)C(CO)(C)N)Br	95
+O=C(C(=O)c1cc([N+]([O-])=O)c(cc1C)F)OCC	31
+c1ccccc1COc2c(cc3C4CC(C(C(OCC)=O)=CN4C(CC)Cc3c2)=O)OC	2745
+O=S(=O)(N(C(C)=O)N1C(Nc2c(cc(c(c2)C(C)C)-c3n(ncc3)C)C1=O)=O)C	9938
+O=S(=O)(CC(c1noc(C)n1)(C)NC(=O)OCc2ccccc2)C	4906
+O=S(=O)(CCCCC)NC(=O)c1cc(c(NC(=O)C)cc1)N(C)Cc2ccc(Cl)cc2Cl	26
+c1cc(ccc1OCC#CC)S(=O)(=O)N2C(C(OCC)=O)CN(CC2)C(C)=O	58
+c1cc(ccc1S(=O)(=O)N2c3cc(ncc3N(C(=O)C)C(C)C2)Br)C	2052
+O=S(=O)(NC1Cc2c(cc(cc2)-c3cccc(CNC(=O)C)c3)C1)C(C)C	68
+c1cc(ccc1)Oc2c(cc(c(c2)C(=O)C)OC)NS(=O)(=O)C	94
+O=S(=O)(c1ccccc1[N+](=O)[O-])N(CCC)CCCn2c3c(c4c5c(C(CC5)=O)ccc24)cc(cc3)C(=O)C	94
+O=C(O)C(CCSC)OC(C)=O	4907
+Fc1c(c(Nc2ccc(I)cc2C)c(C(=O)NOCCOC(=O)C)cc1F)F	204
+Oc1c(ccc([N+]([O-])=O)c1C)C(=O)C	94
+[n+]1([O-])ccc(Cl)cc1C	9939
+c1(c2c(ccc(OC)c2)ccc1)C(CO)CNC(C)=O	68
+s1c(CC(OC)=O)ccc1C(=O)C	1808
+C(c1ccc(Br)c2oc(nc12)C)(=O)OC	9940
+c1(c(ccs1)C(=O)N)NC(C)=O	2414
+c1([N+]([O-])=O)cccc(CCNC(C)=O)c1	68
+c12c(c(c([nH]1)-c3c(C)onc3CC)C(C)=O)cccc2	432
+c1c(ccc(O)c1CC)C(=O)C	94
+c1(c(ccc(N)c1F)[N+]([O-])=O)CCOC(C)=O	204
+c1(cc(ccc1[N+]([O-])=O)OCCOC(C)=O)OC	204
+c1(ccccc1C(NNC(C)=O)=O)I	1086
+c1(CN(C(=O)C)O)ccccc1Nc2cccc(C)c2C	1080
+c1(nsc2ccc(cc12)NC(C)=O)NCCNC(=O)c3ccccn3	26
+c1(c2c(cccn2)c(Cl)cc1C(=O)C)O	4908
+c12c(ccc(OC)c1)CCC2CCNC(C)=O	68
+c1c2c(sc3c2cc(C(C)=O)cc3)ccc1	94
+CC(c1ccc2c(c3c4c(ccc3[nH]2)C(CC4)=O)c1)=O	94
+CC(n1c2c(c3c1cccc3)cc(I)cc2)=O	9941
+c12cc(O)c(cc1cccc2)NC(=O)C	26
+[nH]1cc(c2cc([N+]([O-])=O)ccc12)C(=O)C	432
+c1c(-c2ccc(cc2C(OC)=O)NC(C)=O)c(ccc1)Br	26
+CC(Nc1n[nH]c(-c2cc(F)ccc2)c1)=O	195
+c1(C#N)[nH]c(C)c(c1C)C(=O)C	432
+c1(c(ccc(-c2c(I)cc(c(C(C)=O)c2I)I)c1)C(=O)O)[N+]([O-])=O	94
+c1c(NC=2C=3C(=O)N(CC=C)N=C(C=3N(C(=O)C=2Cl)C)c4cccc(NC(C)=O)c4)c(F)cc(I)c1	26
+c1cc(cc(OC(C)=O)c1OC)C(=O)O	385
+c1(cc(Cl)c(cc1OC)Br)C(=O)C	94
+c1c(OCCOC(C)=O)c(cc([N+]([O-])=O)c1)OC	204
+c1cc(OCCCCCCCCOC(=O)C)c(c([N+]([O-])=O)c1)C#N	204
+c1cc(c(C)cc1Br)OC(C)=O	385
+C(=O)(C)c1c(c2cc(ccc2s1)Br)C	2940
+c1c(cc2ccc(nc2c1)CNC(C)=O)Br	68
+c1(COC(=O)C)ccc(C=Cc2c3ccccc3sc2)s1	204
+c12cc([N+]([O-])=O)ccc1CCCCN2C(=O)C	192
+c1(C)cc(ccc1F)C(=O)C	94
+c1cc(c(cc1C(CCc2noc(C)n2)=NOC)Cl)Cl	2750
+c1cc(ccc1-c2ccc(c(F)c2)OC)C(=O)C	94
+CC(C)N1C(=O)C=CC(c2sc(NC(C)=O)nc2-c3ccccc3)=N1	290
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5cc(c(Br)cc5c(n4)I)NC(=O)C	26
+c1cc(ccc1C(C)=O)CC(OC(C)=O)C	94
+c1cc(ccc1)CN(CCOC(C2=C(NC(COC(=O)C)=C(C(=O)OCC)C2c3cc([N+](=O)[O-])ccc3)C)=O)C	2580
+c1cc(ccc1)COC(=O)N(Cc2cc(ccc2-c3c(OC)ccc(c3)CC(OCC)=O)NC(C)=O)CC	26
+c1cc(ccc1)Cc2c(NC(C)=O)nc(C=C)c(-c3ccc(cc3C=C)OC)n2	1841
+c1cc(ccc1)-n2c3ccc(cc3nc2C)C(O)=O	9942
+c1ccccc1Oc2c(ccc3c2CCC(C)N3C(C)=O)Br	192
+c1cc(ccc1)Oc2c(NC(=O)C)c(ccc2)CC(=O)OCC	26
+c1cc(ccc1-c2ccc(cc2)Cl)C(=O)C	94
+CC(C)(c1ccc(cc1)C(Nc2nc3n(cc(Cl)cc3)c2)=O)CNC(=O)C	68
+c1cc(ccc1C(C)CNC(C)=O)C#Cc2ccc(cc2)OCCC	68
+c1cc(ccc1CCNC(C)=O)-c2ccc(cc2)C3CCCC3NS(=O)(=O)C(C)C	68
+c1cc(ccc1N(Cc2ccc(cc2)C#CCCCCCCCC)C(=O)C)C=CC(=O)OCC	192
+c1cc(ccc1COC(CCC(C(OCC=C)=O)OC(=O)C)=O)OC	4907
+c1cc(ccc1NC(=O)C)-n2c(cc3c2c(O)c(C#N)c(n3)O)Cl	26
+c1cc(ccc1NC(C)=O)C(=O)c2ccc3c(NC(=O)C3)c2	26
+c1cc(ccc1N2CCc3cc(ccc3C2Cc4ccc(cc4)OCc5ccccc5)OC)NC(=O)C	26
+c1cc(ccc1C=O)N2CCN(C(=O)C)C(C)C2	58
+c1cc(ccc1NC(N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2)=O)NC(C)=O	26
+c1cc(ccc1N(CCOc2c3c(ccc2)cccc3)C(=O)C)C(O)=O	192
+c1cc(ccc1C(=O)OC)Nc2c(cc(C#N)cc2)NC(C)=O	26
+c1cc(ccc1OC)SCCNC(=O)C	68
+c1(cc(cc(Cl)c1OCCCOc2ccc(cc2)-c3nc(on3)C)OCC=C(Cl)Cl)Cl	4261
+c1cc(ccc1-c2c(C#N)c3c(n2CC)cc(cc3)OC)OCCNC(=O)C	68
+c1cc(ccc1OCc2cccc(F)c2)N3C(=O)CC(c4nc(C)on4)C3	4906
+c1cc(ccc1-c2nc(c(c(Cl)c2)C#N)-c3ccc(cc3)Oc4ccccc4)NC(C)=O	26
+c1cc(ccc1SC)Cc2sc(NC(C)=O)nc2C(OCC)=O	290
+c1c(Br)cc2c(c1)N(CC2)C(=O)C	192
+CC(n1c2cc(ccc2c3c1cccc3)C(C)=O)=O	4908
+c1c2c(c3ccccc3c4cccc(C(C)=O)c24)ccc1	94
+c1ccccc1-c2ccc3c(cc(cc3)C(NC(=O)C)c4c(nccn4)Cl)n2	68
+c1ccccc1C(O)CNC(=O)C	68
+c1cc(ccc1)C(c2ccccc2)N(C(=O)C)CCCCCC(=O)OCC	58
+c1ccccc1C(c2ccccc2)OC(=O)C3=C(c4cnc(NC(=O)C)s4)CSC5C(NC(=O)OC(C)(C)C)C(=O)N35	290
+c1ccccc1C2(C)c3ccc(cc3N(C(C)=O)C2)Br	192
+c1cc(ccc1C2CCC(CC2)CC(=O)OCC)C(=O)C	94
+c1cc(ccc1)CC(OC(C)=O)C	204
+c1ccccc1COC(NC2c3cc(ccc3N(C(C2C)C4CC4)C(=O)C)Br)=O	192
+c1ccccc1COC(NC2C(C(C)N(c3ccc(Br)cc23)C(C)=O)C)=O	192
+c1ccccc1COc2c([N+]([O-])=O)c(N(CC)C(=O)C)ccc2	192
+c1ccccc1COc2cc3c([nH]cc3C(C)=O)cc2	432
+c1ccccc1Cc2cc(C(NC3COc4ccc(cc4N(C)C3=O)NC(=O)C)=O)no2	26
+c1ccccc1S(=O)(=O)n2c3ccc(OCCNC(=O)C)cc3cc2	68
+c1nc(ncc1C(=O)NOC2CCCCO2)N3CCc4c5ccccc5n(C(=O)C)c4C3	2917
+C(C)(NC1CCCc2c(cncc12)-c3cc4CCC(N(c4cc3)C)=O)=O	68
+C(C)(NC1CCCc2c(Br)cncc12)=O	68
+N1(C(=O)C)Cc2n(CC1)nc([N+]([O-])=O)c2	58
+O=S(=O)(c1ccc(-c2c(nc(NC(C)=O)s2)C)cc1F)C	9943
+C1(n2c(Br)nc3cc(c(F)cc23)F)OCC(C(O)C1O)O	59
+O=C(OCC(COC(=O)C)c1ccc(N)c(c1)C=2CCCCC=2)C	989
+c1ccccc1CS(=O)c2ccc(NC(C)=O)c([N+]([O-])=O)c2	9944
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(OC)cc3)C1=O)N(c4ccc5nc(oc5c4)C)C	9945
+c1c(OC)c2c(c(C(CC)=O)c1)ccc(CC)n2	9946
+c1cc(ccc1)C2CC3CN(C(=O)CC)CC23	2781
+c1cc(ccc1O)C=C(C)C(=O)OC(=O)CC	2897
+c1cc(ccc1C2CC(O)=C(C(=O)CC)C(=O)C2)SC	9947
+CCC(=O)Nc1cc(nc(n1)-c2oc(Br)cc2)-n3nccc3	9948
+C1(CCC(=O)N1OC(CCCCNC(NCCCCC2C3C(CS2)NC(=O)N3)=O)=O)=O	884
+O=C(CNC(c1ccc(c(Cl)c1)Cl)=O)O	946
+c1c(CN2n3cccc3C(O)=C(C(NCC(=O)O)=O)C2=O)cc4c(cccc4)c1	3569
+c1cc(ccc1)-c2c3snc(-c4c(cccc4)F)c3c(O)c(C(=O)NCC(O)=O)n2	1480
+c1ccccc1CN2c3c(-c4cccnc4)nc(C(NCC(O)=O)=O)c(O)c3C=C(Cc5ccccc5)C2=O	3110
+c1cc(ccc1C(=O)C)S(=O)(=O)NCC(O)=O	592
+c1ccccc1-c2n(CC(O)=O)c(-c3ccc(cc3)OC)cc2	9949
+c1cc(ccc1Cl)CCC(NCC(O)=O)=O	726
+c1cc(ccc1F)-c2c(c3c(c(C(NCC(O)=O)=O)nc(C)c3n2-c4ccccc4)O)C#N	1480
+c1cc(ccc1Oc2cccc3c2c(nc(c3O)C(=O)NCC(O)=O)C#N)OC	3110
+c1cc(ccc1Oc2ccc3c(c(O)c(C(=O)NCC(O)=O)nc3C#N)c2)OCCC	2977
+c1ccccc1-c2ccc(C3CCC(CC3)CCC)n2CC(=O)O	9950
+c1ccccc1COc2cc3c(C#N)nc(C(=O)NCC(O)=O)c(O)c3cc2	1480
+c1cc(c(NCC(=O)OC)nc1)[N+](=O)[O-]	4905
+c1(Cl)cc(cc(Cl)c1Oc2ccc(cc2)[N+]([O-])=O)C(=O)NCC(=O)OC	259
+c1cc(ccc1)Oc2c3c(ccc2)c(OC)c(C(=O)NCC(=O)OC)nc3C#N	1008
+c1cc(ccc1S(=O)(=O)NCC(=O)OC)OCC2CC2	592
+c1cc2-c3ccccc3C(c2cc1)C(=O)NCC(=O)OC	3314
+c1ccccc1COC(=O)NCCS(=O)(=O)NCC(=O)OC	4038
+c1ccccc1COc2cc(cnc2C(=O)NCC(OC)=O)OCc3ccccc3	1008
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(cc3)O)C1=O)N(c4ccc5nc(oc5c4)C)C	5
+O=C(CNC(c1c(c2c(n(cc2Cl)Cc3ccc(F)c(F)c3)c(n1)C#N)O)=O)O	2156
+O=S(=O)(C)OC1CN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1	7
+c1(CC(=O)NO)ccc(-c2ccc(cc2F)F)c(F)c1	3736
+c1ccc2C(=O)N(C(c2c1)=O)CCc3c(Br)cc(c(OC)c3)OC	9951
+c1c(cccc1C#N)C(=O)Cc2ncncc2	9952
+OCC1C(C(C(C(N(CC=C)C(=O)N(N=O)CCCl)O1)O)O)O	2591
+c1cc(ccc1C(=O)Cc2c(Cl)cccc2F)F	832
+c1cc(ccc1)C(Cc2cc(ccc2)C)=O	832
+c1c(-c2c(-c3nnc[nH]3)cn(-c4ccnc(c4)NC(C)=O)c2)c(ccc1)Cl	1153
+c1c(-c2cn(cc2C(N)=O)-c3ccnc(c3)NC(C)=O)c(ccc1)Cl	1153
+O=C(OCC)C(C(=O)OCC)(NC(C)=O)CCc1ccc(cc1)Sc2ccc(cc2)-c3nc(CCC)oc3	4773
+c1cc(ccc1OC)-c2nc(C)oc2	2435
+N(c1ccc2c(cc(cc2)C)n1)C(C)=O	4605
+c1cc(ccc1CNC(C)C(=O)N)OCc2c(F)cccc2	3803
+N#Cc1c(Cl)nc(NC(C(=O)N)C)cn1	2941
+c1(Cl)cc(cc(Cl)c1)COc2cc(Cl)cc(C(=O)NCc3ccc(cc3OCC(N)=O)C#N)c2	2805
+c1cc(ccc1)C2=[N+](c3c(cc(N4CCN(CC4)CC(N)=O)cc3)N5CCN=C25)[O-]	9953
+c1ccccc1C(=O)c2cccc(C(SC)C(=O)N)c2N	9954
+c1cc(ccc1NC(=O)NC)-c2nc(N3CC4CCC(C3)O4)c5c(C(C)(C)OC5)n2	9955
+C(#N)c1cc(c2sccc2c1)O	274
+Cc1cccc(C#N)c1Br	274
+C1C2(O)CC3(CC(CC1C3)(O)C2)Nc4c(C(N)=O)cnn5c4cc(c5)Br	719
+c1cc(ccc1)COC(=O)N2CC(C(C)C2)Nc3c(C(=O)N)cnn4cc(Br)cc34	719
+c1cc(ccc1)COC(=O)N2CC(Nc3c4n(cc(Br)c4)ncc3C(=O)N)C(C2)OC	719
+c1(C=O)cc(c(cc1)Oc2ncc(nc2)C(=O)N)OC	842
+O=S(=O)(C)OCc1ccnc(c1)C(N)=O	7
+O=S(=O)(N)Nc1cccc(c1C#N)OCC2CCCCN2C(NCC)=O	1630
+O=C(N1C(COc2c(c(N)ccc2)C#N)CCCC1)NCC	0
+c1cc(ccc1CCCCNC(=N)NC(=O)c2c(nc(N)c(n2)Cl)N)OCC(=O)Nc3ccccc3	4128
+c1cc(N)c(NC(CCCCCCCNC(=O)c2c(C)[nH]c(C=NN=C3c4c(ccc(F)c4)NC3=O)c2C)=O)cc1	33
+c1c(cc(cc1)C(OCCNC(=O)OC)c2cccc(c2)Cl)C(O)=O	6
+C(CCCCC)CCc1cc2c(cc1)-c3ccc(-c4nnc(CCCCCC)s4)cc3C2	9956
+C1(C)CCCCN1c2n3c(nn2)ccc(c3)F	9957
+c1c(C(=O)O)ccc(C)c1NC(=O)c2cc3cc(OC)c(OC)cc3nc2O	1
+O=S(=O)(CCCCC(=O)O)NC	508
+O=S(=O)(CCCOC(C)=O)N1CCC(CC1)Nc2nc(N)c(cn2)C(=O)c3c(ccc(F)c3F)OC	2120
+O=S(=O)(NC(C)=O)c1cccc(-c2cc3c(CCCC3=O)cc2)n1	344
+C1(c2cc(C(=O)O)ccc2OC3=C1CCCC3)=O	9958
+c1cc(ccc1-c2nccc3c(cccc23)CC(O)=O)[N+](=O)[O-]	9959
+O=S(=O)(c1cc2c(ccc(c2)COC(C)=O)s1)N	283
+O=S1(=O)c2ccc(cc2C=Cc3ccc(cc13)C(O)=O)[N+](=O)[O-]	944
+C(c1cc(Br)c(O)c(C(=O)C)c1)C(=O)O	508
+[O-][N+](=O)c1cc2CC(=O)c3cc(ccc3Sc2cc1)C(C)C(O)=O	2567
+Brc1cccc(Br)c1COC(C)=O	283
+n1c2c(c(c(c1O)C#N)Cl)cccc2	9960
+c1(O)c([N+]([O-])=O)cc(C(COC(C)=O)=O)cc1O	1231
+O(CCC1C(c2c(cc(c(c2Cl)Cl)OC)C1)=O)C(=O)C	2120
+c1c(Cl)nn2c(C)nnc2c1C	2489
+c1(Cl)cc(cc(Cl)c1C(c2ccc(cc2)Cl)C(=O)O)N3N=CC(NC3=O)=O	2567
+c1(cc2c(c(ncc2)O)cc1Br)F	3111
+c12cccc(c1ccc(NCc3c(cccc3)OC)n2)-c4nc(C)on4	1289
+c12-c3ccccc3NC(=S)n1nc(COC(=O)C)c2	27
+c12CCC(CC(OC)=O)c1ccc(c2C)C=O	1937
+C12c3c(Cl)nn4c(C)nnc4c3C(C1)CC2	2489
+C(C)N(CC)C(C)CN1CCC2=C(C(Oc3cc(c(Cl)cc23)C)=O)C1	4560
+c1c(-c2cc(COC(C)=O)ccc2)csc1	283
+Clc1cc(cc(Cl)c1Sc2cc(C(C)C)c(O)nn2)N3N=C(C(=O)NC3=O)C(=O)O	9961
+c1c(I)cc(c(Nc2c(cnc(O)c2)C(=O)OCC)c1)F	3111
+c1c(OC)c(c(cc1Nc2nc(nn3c(nc(C)c23)C)-c4cccc(NC(C)=O)c4)OC)OC	33
+c1cc(cc(F)c1C#N)C(=O)C	9962
+c1(cc(c2c(c1)c(n[nH]2)-c3cc(F)ccc3)OC)C(=O)O	944
+c1(C(c2cc(C(=O)O)ccc2)=O)c(C)cc(cc1)OCCCCCC	944
+CC(C)N1C(=O)C=CC(=N1)CC(=O)c2ccccc2	9963
+c1ccccc1C2(C(=O)CCCC2)CCC(=O)O	508
+c1cc(ccc1)COC(N2CCC(COC(=O)C)(C2)F)=O	4025
+c1cc(ccc1F)-c2c(Cl)c(C(=O)O)c(c(c2)OC)N	4886
+c1cc(ccc1-c2onc3-c4ccc(cc4CCc23)C(C(=O)O)O)CCC	508
+c1cc(ccc1C(=O)c2cc(CC(=O)O)ccc2)Cl	508
+c1cc(ccc1C(=O)O)C(=O)CNC(OCc2ccccc2)=O	9964
+c1cc(ccc1Cc2cc(Br)ccc2Cl)COC(C)=O	283
+c1cc(ccc1COC2=CC(=O)N(C=C2)c3cc4c(cc3)nc(n4C)C)Cl	953
+c1cc(ccc1CNC(C)=O)Cl	9
+c1cc(ccc1Cl)Oc2nnc(O)cc2	3028
+c1cc(ccc1F)-c2c(C=3C=CC(N(C(C)C)N=3)=O)nc(C(=O)N)c(N)n2	9965
+c1cc(ccc1C(=O)O)Nc2ccc(cc2)OC	944
+c1cc(ccc1Nc2ncc(c(n2)O)Br)S(C)=O	9966
+c1(CC(O)=O)cc(ccc1CCc2c(c(ccc2)OC)C)Br	508
+c1cc(ccc1)-c2c(oc3c(c2)ccc3)CC(O)=O	508
+c1ccccc1-c2nc3cc(COC(C)=O)ccc3o2	283
+c1ccccc1-c2nc3c(cccc3s2)COC(=O)C	9967
+c1ccccc1N2C(=O)c3c(c4c(n3C)ccc(c4)Cl)C(=N2)CC(=O)O	508
+o1c(-c2cc(COC(C)=O)ccc2)ccc1Br	283
+c1cc(ccc1C(=O)Nc2nccc(C)c2)-c3nc(C4CCCN4C(C#CC)=O)n5ccnc(N)c35	2976
+c1cc(ccc1-c2c3c(nccn3c(C4N(C(=O)C#CC)CCC4)n2)N)C(=O)Nc5sc6CCCCc6n5	2976
+c1(Cc2ccc(c(c2)OC)OC)nnc(c(O)n1)C(C)NC(=O)C(C(O)C)CCCC=C	9
+c1cc(ccc1I)C(=O)NNC(C(Nc2c(c(Cl)c(cc2)C#N)C)C(O)C)=O	708
+c1cc(ccc1)N(c2ccccc2)c3ccc(cc3)C=Cc4ccc(cc4)C=Cc5ccc(cc5)NC(C(=C)C)=O	4909
+c1cc(ccc1OCC(OCC)OCC)-c2ccc(cc2)OC(C(=C)C)=O	2358
+c1cc(ccc1OCCOC(=O)C(C)=C)C(=O)O	2466
+c1c(F)cc(cc1CC(=O)NC(C(=O)O)C)F	726
+OC(=O)C(N1Cc2ccccc2C1=O)C	9968
+c1cc(ccc1S(=O)(=O)NC(C)C(O)=O)C	592
+c1cc(ccc1F)Oc2cc3cnc(c(O)c3cc2)C(NC(C(=O)O)C)=O	2977
+c1cc(ccc1)COC(C(NC(=O)C(NC(=O)C(C)NC(C)=O)C)CC(C)C)=O	207
+c1ccccc1C(=O)n2c3c(c4ccccc24)CC(CC3)C(=O)O	4036
+c12c(cccc1)NC(=O)C3CC(CN3C2=O)O	9969
+c1ccccc1COC(N2C(CC(O)C2)C(O)=O)=O	2543
+C(CC(OCCOCCO)=O)CCCCCCCCCCCCCCCCCCC	27
+c1cc(OC)cc2C(=O)N(C)CC(Nc12)=O	9970
+c1ccccc1CN2CCC(CC2)N(CC(=O)O)C	9971
+c1cc(ccc1-c2noc(n2)COC)CN(C3C(NCCCC3)=O)S(=O)(=O)c4ccc(cc4)Cl	1289
+c1(cc(ccc1O)Nc2c3c(cccc3OC(CNC(=O)COC)C)ncn2)Cl	9
+c1cc(ccc1)COC(N2CC(C(CC)C2)Nc3c(cnn4c3cc(c4)-c5cnc(cc5)CNC(COC)=O)C(=O)N)=O	9
+n1c(cn(CC(CCc2nnc(s2)NC(Cc3ncccc3)=O)F)n1)C(=O)OCC	373
+CCOc1c2ccccc2c(OCC)c3C(=O)OC(=O)c13	3112
+c1cc(ccc1OC)-c2nc3c(nc2-c4ccc(cc4)OC)cc(c(O)c3)C(=O)O	3113
+c1cc(ccc1)CNC(c2cccc(-c3cccc(C(OC)=O)c3)c2)=O	14
+O=S(=O)(Cl)c1cc(c(O)cc1)C(O)=O	240
+c1ccccc1COC(=O)NC(C(C)NC(c2c(cccc2)O)=O)C	14
+c1ccccc1COC(=O)NCCNC(c2ccccc2O)=O	14
+c1cc(ccc1C(OC)=O)SCCNC(=O)c2oc3c(cccc3)c2	1619
+c1(nc2c(s1)cccc2)Oc3ccc4c(cc(CO)o4)c3	2184
+c1cc(ccc1-c2c(NC(OC(C)c3c(cccc3)Cl)=O)ccnc2)O	89
+O=C(OC)C(=COC)c1ccccc1COc2cc(C)c(C=O)cc2C	22
+O=C(OC)C(=COC)c1ccccc1COc2c(C)cc(c(C)c2)C(CC)=NO	189
+O=C(OC)C(=COC)c1ccccc1COc2c(C)cc(c(C)c2)C(CC)=O	155
+O=S(=O)(N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O)C	112
+c1cc(ccc1OCCOc2cc3CCCCc3cc2)CC(C(=O)OC)C(O)=O	4
+O=C(C(=O)c1ccc(SC)c(Cl)c1)OC	3773
+c1cc(ccc1F)CNC(C2=C(O)C(=O)N(C)C(=N2)C(C)(C)NC(C(OC)=O)=O)=O	2499
+c1cc(ccc1[N+]([O-])=O)OC(C)C(=O)OC	9972
+C1(O)CN(C(=O)C(C)N2Cc3ccccc3C2=O)C(C(OC)=O)C1	478
+c1cc(ccc1-c2nc(CSc3c(c(c(c(N(C)CC(=O)OC)n3)C#N)N4CCCCC4)C#N)cs2)Cl	3720
+O=C(OC)N1CC(C(C1)OCC)Nc2c(nc(-c3cc4c(cc3OC)CCC4)c(CC)n2)CC	3901
+c1ccccc1COc2c(C(=O)OC)scc2	3080
+c1c(c(C(=O)OC)c(cc1)C(=O)O)CNC(N)=O	1
+c1(cccc(F)c1Cc2cc(OC)c(c(C(=O)CC(=O)c3nccc(C)c3)c2)OC)F	9973
+C(C)OC(c1cc2cc(OCCOC)cc([N+]([O-])=O)c2[nH]1)=O	9974
+O=C(OCC)C(=NOC)C(CC)=O	4910
+O=C(OCC)C(C(C(Cl)C)=O)=NOC	9975
+O=C(OCC)C(=NOCCC)C(CCl)=O	969
+N(=C(C(=O)O)c1csc(N)n1)OCCC	3
+O=C(OCC)C(=NOCCCC)C(CCl)=O	969
+N(=C(C(=O)O)c1csc(N)n1)OCCCC	3
+o1c(ncc1C)C(OCC)=O	9976
+O=C(OCC)C(=O)NCC(=O)C	86
+c1c2ccccn2c(n1)C(=O)OCC	9977
+C(C)OC(c1n2c(nn1)cncc2)=O	9978
+n1c(c2cc(C)ccc2nc1C(=O)OCC)O	9979
+n1c(c2c(nc1C(=O)OCC)scc2)O	9980
+O=C(C(O)=O)Nc1c2C(CC(c2c(C)cc1)CCC)=O	1581
+c12c(cc(cc1)F)NC(=O)C(N2O)=O	4727
+c1cc(cc2OCC(Nc12)=O)NC(=O)C(O)=O	1581
+C1CCCCC1C(CO)(CO)COC	1257
+c1cc(ccc1Sc2ccc(cc2)CCC(CO)(CO)NC(=O)C)-c3nc(CCC)oc3	1257
+O=C(OCC)C(C(=O)OCC)(c1ccc(cc1)N)C	0
+CC1(C)N2C=C(C(OCC)=O)C(=O)c3cccc(c23)C1	9981
+Cc1c2c(c(cnc2n(-c3ncccc3)n1)C(=O)OCC)O	4911
+C1CN(CCN1c2ncc3c(O)c(cnc3n2)C(OCC)=O)C	9982
+n1(ncc2c(c(cnc12)C(=O)OCC)O)CC	4911
+[N+]([O-])(c1cccc(C(=O)C)c1C)=O	9983
+Fc1c(F)cc(Br)c(C(=O)CC(=O)OCC)c1	4912
+c1cc(C(CC(OCC)=O)=O)c(Cl)cc1I	4912
+C1C(CN1C(=O)OCc2ccccc2)C(C(=O)OCC)C(=O)O	3
+c1cc(ccc1Oc2ccc(cc2)C(CC(C(OCC)=O)(C(OCC)=O)NC(=O)C)=O)CCCC	4913
+c1cc(ccc1C(CC(C(OCC)=O)(C(OCC)=O)NC(=O)C)=O)Sc2ccc(cc2)CCCC	4913
+Ic1c(C)ncc(c1)[N+](=O)[O-]	4914
+CCOC(Cc1ncccc1Cl)=O	2367
+Clc1c(C)ncc(Br)c1	4914
+c1cc(ccc1-c2cc(C=C(C)C(OCC)=O)c(cc2)N3CCCC3C)OCCOCCCC	750
+c1cc(ccc1OCCOCCCC)-c2cc(C=C(C(OCC)=O)C)c3N(C)CCCc3c2	750
+O=C(OCC)C(C)=Cc1ccc(N)cc1F	0
+O=S(=O)(NCCCc1scc(C(OCC)=O)n1)C	4317
+c1(C)nc2n3c(nc(C(=O)OCC)c3)ccc2c(C)c1	4759
+c1(cc(cc(OC)c1OC)-c2scc(C(OCC)=O)n2)OC	1835
+c1(cc2nc(C(=O)OCC)cn2c(C)n1)C	9984
+c1sc(Nc2c(C)cccc2)nc1C(=O)OCC	2377
+c1cc(ccc1OCCCCl)-c2nc(co2)C(=O)OCC	9985
+c1cc(ccc1-c2n(cc(C(=O)OCC)n2)-c3cc(OCC)ccc3)C	9986
+c1cc(ccc1-c2n(cc(C(=O)OCC)n2)-c3cc(OCC)ccc3)F	9987
+c1cc(ccc1N2C(=NC(C(OCC)=O)(C2)O)CN(c3ccc(cc3)F)C)Cl	9988
+c1cc(ccc1-c2nc(cs2)C(=O)OCC)[N+](=O)[O-]	1835
+c1cc(ccc1)COc2cccc(-c3nc(C(OCC)=O)cs3)c2OCc4ccccc4	1835
+n1c2c(cccc2)c([nH]1)C=Cc3c(cccc3)Nc4scc(n4)C(=O)OCC	2377
+C(C)OC(c1cc(n(n1)-c2ccc([N+]([O-])=O)cc2C(=O)O)C)=O	4915
+c1c(cc(c(c1)-n2nc(cc2C)C(=O)OCC)C(=O)O)Br	4915
+c1cc(ccc1-n2nc(C)c3c2nc(C)cc3C(OCC)=O)OC	3740
+c1cc(ccc1Cl)C2N(C(=O)C(O)=C2C(=O)C)c3cc(C)c4nnc(C)n4c3	9989
+C(C)OC(c1cc(-c2ccc(cn2)C)n(-c3ncccc3)n1)=O	4903
+Clc1cccc(c1)-c2onc(c2)C(=O)OCC	1208
+o1nc(cc1-c2cc(F)ccc2)C(=O)OCC	1208
+O=C(OCC)C(=O)NCC(O)C	2499
+O=C(OCC)C(c1cn(C)c(C(Nc2cc(C)c(F)cc2)=O)c1)=O	9990
+c1c(Cl)c(c(cc1C(NNC(C(OCC)=O)=O)=O)Cl)O	9991
+c1c(Br)c(c(cc1-c2noc(n2)C(=O)OCC)Br)O	9992
+Cc1cc(cc(C)c1Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)NC(C(OCC)=O)=O	994
+O=C(OCC)C(=O)Nc1cc2OCC(Nc2cc1)=O	994
+C(C(Oc1cc(ccc1)Oc2ccccc2[N+]([O-])=O)C)(O)=O	3
+c1(C)c(F)ccc(c1)NC(=O)c2n(C)cc(c2)C(=O)C(O)=O	2249
+c1cc(N)c(cc1)CC(=O)OCC	0
+O=C(OCC)Cc1c2cc(C=O)ccc2ccc1Cl	3450
+c1c(CC(O)=O)c(c(Oc2c(F)cccc2)cc1)[N+](=O)[O-]	3
+O=C(OCC)Cc1cccc(c1N)Oc2ccccc2Cl	0
+O=S(=O)(Nc1c(CC(=O)OCC)cccc1Oc2c(cccc2)Cl)C	80
+c1c(CC(OCC)=O)c(-c2ccccc2F)ccc1	11
+Fc1ccccc1CC=O	578
+C1(=O)OC(=O)c2c1c(OC)ccc2	3112
+O=C1CCC(=O)N1OC(=O)c2c(N=[N+]=[N-])c3ccccc3nc2	9993
+O=C(O)c1c(O)c(C(C)=O)ccc1	562
+O=C(c1c(ccc(C)c1)-c2cnn(C)c2)N3CCCC(C)C3CNc4c(C)cccn4	340
+O=C(c1c(ccc(C)c1)-c2cnn(C)c2)N3CCCC(C)C3CNc4ccc(cn4)C#N	70
+c1cnn(n1)-c2c(C(=O)N3CCCC(C)C3CN)cc(F)cc2	9994
+n1ccnn1-c2c(C(N3C(CN)C(CCC3)C)=O)cccc2F	9995
+S(CC#C)c1ccccc1CO	49
+c1cc(F)ncc1-c2nc3c(c(C(=O)O)c2)cccc3	4835
+Nc1cc2ccc(c(OC)c2c3cc(C)ccc13)OC	9996
+c1cc(ccc1)-n2nc(C(OCC)=O)cc2NC(=O)c3c(Cl)cc(Cl)c(c3)-c4ccccn4	650
+Nc1c(Cl)cc(c2OCOc12)C(=O)O	106
+c1c(C(=O)OC)nc(cc1CCCSC)C(=O)OC	965
+c1c(C(=O)OCC)nc(cc1OCc2ccccc2)C(=O)OCC	22
+c1c2c(CCC(C2NC(=O)c3ccc(c(Cl)c3)Cl)OC(=O)C)ccc1N	0
+O=C(c1cccc(OCc2cccc(F)c2)c1C(O)=O)O	1
+C1CC(C)N(C(c2c(-n3nncn3)cccc2)=O)CC1Nc4nccc(C#N)c4	30
+c1cc(ccc1CCCc2ccc(cc2)[N+]([O-])=O)Nc3c(cccc3)C(=O)O	230
+c1(cc2c(N(C(=O)C2C(=O)c3ccccc3Cl)C(=O)C)cc1)C(C)=O	3071
+Cc1cc(ccc1Nc2ccccc2NC(c3ccccc3Cl)=O)OC	4867
+[O-][N+](c1ccc(NC(Nc2ccccc2I)=O)c(O)c1)=O	4291
+C(N1C(=O)c2n(CC=C)c(nc2N(C1=O)CCCC)C(=O)O)CCC	1
+O=C(n1c2c(cc1)c(ccc2)C(c3c4c([nH]c3)ncc(-c5cnccc5)c4)=O)NCCCC	814
+O=C(n1c2cccc(c2cc1)C(O)c3c4c([nH]c3)ncc(-c5cnccc5)c4)NCCCC	1235
+c1c(C2(C(=O)N(c3ccccc23)CCCCC)O)c(cc4OCCc14)O	1115
+c1cc(ccc1)C2(C(=C(C(c3c(c4ccc(cc4[nH]3)C)CNC(C)=O)c5ccccc5)C2=O)O)C	2883
+c1ccccc1C(c2[nH]c3cc(C)ccc3c2CN(C=O)C)C4=C(O)C(C)(c5ccc(cc5)C)C4=O	2883
+N1(C(=O)C=C(C=C1C)OCc2ccc(cc2CNC(OC)=O)F)c3c(C)ccc(C(=O)O)c3	1
+C1(C2C(C(=O)C1c3cc(-c4ccc(cc4)Cl)sc3CC)C5C=CC2O5)=O	9997
+c12ccn(c1CC(c3c(Cl)cccc3)C4C2C(=O)NC4=O)CCOCCOCC	4885
+c1c(cc(c(NC2=C(C(=O)OC)C=CC(=O)N2C)c1)F)Br	9998
+O=C1C=CC=CN1c2ccc(-n3cnc(CNC(c4sc(cc4)Cl)=O)c3)c(F)c2	1444
+C(=O)(CN1C(=O)C=Cc2ccc(C#N)cc12)O	4
+O=C1CC(CC(=O)C1)c2c(cccc2)O	5
+c1ccccc1CN(C2CC3C(CNC(=O)C3)C2)C	85
+C1(=O)CCC(=O)N1Cc2ccc3c(cc(C(=O)OC)nc3c2F)-c4ccc(cc4)F	9999
+O=Cc1cc(Cl)c(OC)cc1O	196
+O=S(=O)(N)c1c(N)ccc(c1)Cl	196
+O=S(=O)(Nc1cccc(c1C)OC=2C(=C(Nc3ccc(cc3F)I)N(C)C(=O)C=2Cl)C(N)=O)CC	4837
+C1CC(CCN1c2c(Cl)nc(cn2)Cl)N3CCC(Nc4c(cc(S(=O)(=O)C)cc4)F)C3=O	10000
+c1cc(ccc1-c2n(-c3ccc(cc3)S(=O)(=O)C)cnc2Cl)F	844
+OC(CCl)CC(=O)OC	10001
+c12c(c(C)cc([N+]([O-])=O)c1)ncc(Cl)c2	395
+c1c2c(c([nH]c2ccc1)-c3c(ccc(n3)Cl)O)Cl	573
+CCOC(c1cc(Cl)c(C)[nH]1)=O	573
+c1(C(=O)OC)c(c(Cl)[nH]c1)-c2cc(ccc2)C#N	2148
+ClC(c1cc(C)c(cc1)[N+]([O-])=O)=NO	761
+c1(C=O)cc2c(Cl)n[nH]c2cc1	2209
+Clc1cnc2ccc(C=O)cc2c1	395
+c1(Cl)cc(c(N)c(c1Cl)C)C(=O)O	196
+[N+]([O-])(c1cc(Cl)c(NCc2ncccc2)nc1)=O	395
+Clc1cc(OC)c(N)c([N+]([O-])=O)c1	196
+c1(c(cn(-c2c(Cl)cccc2)n1)Cl)N	697
+Nc1c2OCCCc2c(Cl)cc1F	196
+c1(Cl)cc(c(Br)s1)CO	2172
+c1(c2c(cccn2)c(Br)cc1Cl)O	3373
+c1c(cc(c(Cl)c1)N2C(CC(C)C2)C(NCC#N)=O)Br	196
+c1(cc(C#N)c(O)c(Cl)c1)-c2cc(ccn2)C(=O)OC	196
+c1c(C)c(c(cc1C(C)=O)C)Oc2c3[nH]cc(Cl)c3nc(Nc4ccc(cc4)C#N)n2	10002
+c1c(F)c(c(cc1F)F)-c2c(C)nnc(-c3ccccc3F)c2-c4cc(OC)cc(OC)c4Cl	196
+c1(Cl)cc([N+]([O-])=O)c(N)c(c1F)F	196
+C1(c2c(cccc2)-n3cnc(Cl)c3C4CCN14)=O	844
+O1CCOc2c1c(N)c(Cl)cc2C(=O)OCC	196
+c1(Cl)c(F)ccc2cnccc12	196
+Clc1ccccc1-n2c(Cl)nc3c2C(N(C(=O)N3C)C)=O	1950
+C(C=O)(Cl)Cc1ccc2c(c1)nccn2	4916
+c1(Br)c(Cl)ccc(n1)N	395
+Clc1cccc(Cl)c1CCC(=NO)Cl	1964
+c1c(N)ccc(Cl)c1CC	196
+c1c(c(-c2n(C)ncc2Cl)cc([N+]([O-])=O)c1)OC	697
+n1cc(Cl)n2cc(ccc12)CO	2772
+Cc1nc(ccc1Cl)N	395
+c1cc(-c2[nH]c(c(C(N)=O)c2Cl)NC(N)=O)cc3c1cccc3	573
+c1ccccc1-c2cc(c3[nH]c(C(NCc4cccs4)=O)c(Cl)c3c2)Cl	573
+c1cc(ccc1)C(=O)c2c(sc(Cl)c2)N	2172
+c1cc(ccc1)C2CCN(CC2)C=3C=CN(CCCC)C(=O)C=3Cl	10003
+c1cc(ccc1F)-c2n[nH]c(SC)c2Cl	697
+c1cc(ccc1S(=O)(=O)Nc2c(Cl)c(C)no2)-c3ccc(cc3)C	10004
+c1cc(ccc1C(Cl)=NO)C	761
+c1cc(ccc1C2(CC2)C(=O)OCC)-c3ccc(cc3)-c4c(cc(Cl)s4)C(=O)N	2172
+C(OCC)(Cc1ccc(N)c(Cl)c1)=O	196
+c1cc(ccc1)OCc2c(Cl)c3CN(CCn3n2)C(c4ccc(cc4)F)=O	697
+c1cc(ccc1F)C(=NO)Cl	761
+c1cc(ccc1CC(C=O)Cl)OC	4916
+c1cc(ccc1Oc2c(ccc(F)c2)Br)C(Cl)=NO	761
+Clc1cc(C(Nc2ccc(Br)cn2)=O)c(c(c1)O)N	196
+[nH]1cc(Cl)c2c([N+]([O-])=O)cccc12	573
+Clc1cc2C(=O)C(N3CCC(c(c23)c1)C(OC)=O)=O	196
+c12n3CCC(N(C(N)=O)O)c3c(Cl)c1cccc2	573
+c1cc(ccc1)-n2c(c(c(-c3cccnc3)n2)Cl)NC(=O)NC4CN(CC4c5cc(F)c(cc5)F)CCOC	697
+c1cc(ccc1)CC(NC2=NC=C(N(CC(OCC)=O)C2=O)Cl)CN=[N+]=[N-]	10005
+c1ccccc1CC(Cl)=NO	1964
+c1ccccc1S(=O)(=O)n2c3ccc(cc3c(Cl)c2)OCCNC(=O)C	573
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3cc4c(cc3)c(n[nH]4)Cl	2209
+c1cccn2c1nc(CCl)c2Cl	2772
+[nH]1c(-c2cnco2)c(c3c1cc(Br)nc3)Cl	10006
+O=S(=O)(c1cc(ccc1N)I)N	235
+c1(Cl)cc(c(O)c(c1Cl)I)C(=O)C	235
+c1c(I)cc(c(F)c1)[N+]([O-])=O	235
+[nH]1cc(I)c2c(Cl)nc(Cl)nc12	1996
+Ic1c2c([nH]c1)nccc2[N+](=O)[O-]	1361
+Ic1n[nH]c2c1cnc(C)n2	4917
+O(C)c1c(OC)ccc(-c2sc3ncc(I)n3n2)c1	4918
+O1COc2c1cc(c(I)c2)Cc3[nH]c4nc(F)nc(N)c4n3	235
+Clc1c(O)c(I)cc(c1)C(=O)OC	235
+c1(Cl)nc(CCCC)nc2c(c[nH]c12)I	3114
+c1(F)c(cc(I)c(N)c1)Br	235
+n1[nH]c(c2cc([N+]([O-])=O)ccc12)I	2866
+Nc1c(C#N)c(C)c(I)cn1	583
+c1c(cc(C)c(Nc2c(F)c3c([nH]cn3)cc2C(=O)OC)c1)I	235
+O(C)c1c(c(I)c(c(c1N)C(=O)O)C)F	235
+c1(cc(-c2cnc3[nH]cc(I)c3c2)ccc1)C=O	1361
+c1c(F)c(c(cc1)F)-c2ccc3[nH]cc(I)c3n2	3114
+Clc1ccc(F)c(c1C(C)Oc2cc(I)cnc2N)Cl	583
+c1(ncccc1)-c2c(I)c[nH]n2	1160
+Ic1nn(C)c2c1c(ncn2)O	4917
+c1(cc(Cl)c(cc1I)-c2ccccc2F)O	235
+c1c(-c2cncc(c2C(=O)OC)Nc3ccc(I)cc3F)c(ccc1)Cl	235
+c1(I)c(C#N)c(Cl)cc(c1O)C(=O)C	235
+c1cccc(-c2nn3c(nccc3Cl)c2I)c1Cl	1390
+c1(c(I)ccc(n1)N)N	583
+c1(c(F)c(Cl)cc(c1O)C(=O)C)I	235
+C(c1cc(cc(I)c1O)F)(=O)OC	235
+c1c(ccc(c1F)Cc2cc(c(nc2)O)I)F	583
+n1[nH]c(c2cc(c([N+]([O-])=O)cc12)Br)I	2866
+c1cc(cc(F)c1F)-c2n3c(nc(Cl)c2)c(c(C)n3)I	1390
+c1ccccc1-c2nc(N)ncc2I	1154
+c1cc(ccc1)-c2nnc3c(c([nH]n3)I)c2Cl	4744
+c1ccccc1CON2c3c(C(=C(I)C2=O)OCc4ccccc4)cncn3	10007
+c1cc(ccc1-c2cc(c(cc2)O)I)C#N	235
+c1cc(ccc1-c2ccc3c(c(nnc3c2)I)O)S(=O)(=O)C	10008
+c1cc(ccc1-c2ccn3c(cnc3c2)I)F	3115
+c1cc(ccc1F)-c2c(I)n3cccc(Cl)c3n2	3115
+c1cc(ccc1-c2c(n(c(-c3ccccn3)n2)C)I)C(OC)=O	10009
+c1c(cc(c(N)c1)C#N)I	235
+c12cc(I)ccc1[nH]c3c2cccc3	235
+c1cc(ccc1I)C2C(OC(=O)C)CCCC2	235
+c1ccccc1COC(Nc2cc(I)cnc2O)=O	583
+c1ccccc1COC(=O)N2CCC34C(CCCC3)C2Cc5cc(c(cc45)O)I	235
+c1ccccc1COCc2c(c(ncn2)O)I	1154
+n1c2n(ncc(-c3cc(ccc3)C(=O)OC)c2)c(I)c1	3079
+n1c(Br)sc2n1c(I)cn2	4918
+n1c2n(nc(cc2)Br)c(I)c1	3079
+c1c(C(=O)OC)c(c(c2n1c(I)cn2)F)Nc3c(F)cc(C)cc3	3115
+Nc1ncc(cc1I)C(=O)OC	583
+Cc1n(-c2ncccc2)ncc1I	1160
+c1c(ccc(-c2nc3sccn3c2I)c1F)F	10010
+c1(c2c(ncc1)c(I)c[nH]2)C	3114
+O=C1CCC(=O)N1OC(=O)CCc2cc(C=Nc3c(O)cccc3)c(cc2)O	884
+c12-c3ccccc3C(c1cccc2)COC(NC(C(=O)ON4C(CCC4=O)=O)C(C)C)=O	884
+O=C1CCC(=O)N1OC(=O)c2c(cc(cc2)Br)Cl	10011
+C1CC(CCC1C(NCc2c(O)nc(nn2)N)=O)C(=O)OC	1280
+c1ccccc1COC(=O)N(C)Cc2[nH]c3ccccc3c2	613
+O=C1CCC(=O)N1OC(=O)c2c(OCCCN=[N+]=[N-])ccc(c2)C(=O)C	4919
+O=C1CCC(=O)N1OC(c2c(ccc(C(=O)C)c2)OCC#C)=O	4919
+C(N1CCC(C(C1)N(c2c3c([nH]cc3)ncc2)C)C)(CC#N)=O	10012
+c1cc(ccc1)CN2CC(NC(=O)ON3C(=O)CCC3=O)CCCC2	2834
+C(C(O)CCC1CCC(=O)N1)c2cccc(F)c2	100
+c1ccccc1C(N2C(OCCCCCC)CCC2=O)=O	3417
+C1(=CC(CCC1)=O)Nc2cccc(OC)c2	4407
+[nH]1c2ccccc2c3c1CCCC3=O	4920
+Clc1cc2c3C(CCCc3[nH]c2cc1)=O	4920
+c1(ccc(N)c(F)c1)N2CCCCC2=O	883
+c1ccccc1CSc2cc(F)cc(c2OC)N3C(=O)CCCC3	654
+c1ccccc1COc2c(cc3C(CCc3c2)=O)O	22
+O=C1CN(C(=O)c2cc(c(Oc3c(O)cc(CC)c(c3)F)cc2)F)CCN1C	5
+c1cc(ccc1-c2cc(C#N)nc3c2ccc(CN4C(CN(C)C4=O)=O)c3)F	10013
+c1cc(ccc1)CSc2cc(Nc3cc(Cl)ccc3)nc4c(cnn24)C=C5NC(=O)NC5=O	2021
+c1cc(ccc1)C(c2ccccc2)C3CCN(CC3)C(=O)COCC(=O)O	319
+O=S(=O)(C)OCc1c(non1)C=2N(c3ccc(c(c3)Cl)F)C(ON=2)=O	7
+O=C1c2cc(N)ccc2N=C(CF)N1c3ccc(cc3C)C	0
+c1c2N(C(=O)N(C(c2n[nH]1)=O)C)CCCC	10014
+c1cc(ccc1)COc2cccc(Oc3c(N)cc4c(N(C(=O)N4C)C)c3)c2	304
+n1(ncc(C=2c3cc(OC)c(OC)cc3C(=O)N(CC)C=2)c1)Cc4c(cccc4)F	309
+c1cnccc1-c2ncnc(N=C=S)c2	3116
+c1cc(ccc1)Oc2cc(ncn2)N=C=S	3116
+c1(ccc(Cl)c(Cl)n1)N=C=S	3116
+O=C1N(CCO1)c2ccc(N)cc2Cl	0
+c1cc(ccc1Cl)C(O)c2c(Oc3cncc(c3)Cl)cnc4N(C(=O)N(CCCOC5CCCCO5)C(=O)c24)C	10015
+O=C1N(c2cc(OC)ccc2C(C)=C1)CCN3CC(C(=O)O)N(CC3)CCc4ccc5c(c4)OCCO5	3
+O=C1c2c(cccc2)N=C(C=Cc3cccc(c3O)OC)N1c4ccc(c(c4)Cl)Cl	2066
+c1(cccc(Cl)c1C(=O)N2C(=O)N(c3ccc(c(c3)F)F)OC2=O)Cl	10016
+N1C(=O)C2(C(NC1=O)=O)Cc3cc(c(c(F)c3N4CC(C)OC(C)C24)F)C=O	39
+n1c(ccnc1SC)C=C2SC(NC2=O)=O	10017
+O=S(=O)(N)N1CCN(CC1)c2c3c(cnc2)cc(C=C4C(=O)NC(=O)S4)o3	2025
+c1(C)cc(cc(C)c1)C=C(C(O)=O)c2ccc(cc2)Oc3ccc(cc3)C=C4SC(=O)NC4=O	377
+c1c(cccc1-n2c(ncc2)C)Nc3ccn4c(n3)c(cn4)C=C5SC(NC5=O)=O	3768
+c1cc(ccc1)-c2ncnc3ccc(C=C4C(=O)NC(=O)S4)cc23	377
+c1cc(ccc1)CN2C(=O)c3ccccc3-c4cc(C=C5C(=O)NC(=O)S5)ccc24	377
+c1cc(ccc1)Cn2c3c(c(ccc3)C=C4C(NC(=O)S4)=O)cc2	377
+c1cc(ccc1)N(Cc2ccc3c(ncc(C=C4C(=O)NC(=O)S4)c3)c2)C	4921
+c1cc(ccc1-c2cc(CN(C(c3ccccc3)=O)C)ccc2)C=C4SC(=O)NC4=O	377
+c1cc(ccc1C=C2SC(=O)NC2=O)OCC(Cl)c3ncc(cc3)CC	377
+c1cc(ccc1C=C2C(NC(=O)S2)=O)OCCN(c3nc4ccccc4s3)C	377
+c1cc(ccc1OC)-c2cc(Oc3ccc(cc3)C=C4C(NC(=O)S4)=O)ccc2	377
+c1cc(ccc1OCCCC(O)=O)C=C2SC(=O)NC2=O	377
+c1cc(ccc1OCCN(c2ncccn2)C)C=C3SC(=O)NC3=O	377
+c1cc(ccc1C=C2SC(=O)NC2=O)OCCc3ccc(cc3)C#N	377
+c1cc(ccc1OCCc2ccc(cn2)C(C)OCOC)C=C3C(NC(=O)S3)=O	377
+c1ccccc1C(=O)N(C)CCOc2ccc(cc2)C=C3SC(=O)NC3=O	377
+c1cc(ccc1C=C2SC(=O)NC2=O)SCCc3ccccc3	377
+c1ccccc1CN2c3c(CCC2=O)c(ccc3O)C=C4C(NC(=O)S4)=O	377
+c1ccccc1COc2cc(ccc2O)-c3ncc(cc3)C=C4SC(=O)NC4=O	4921
+c1cnccc1-c2ccnc3ccc(C=C4C(=O)NC(=O)S4)cc23	377
+c1cc(ccc1F)NC2=CC(NCC2)=O	10018
+N1c2c(cccc2F)NCCC1=S	199
+O=Cc1ccc2c(NC(=O)CS2)n1	178
+c1c(c2c(c3ccccc13)c(O)ccn2)OCCC	2197
+O=C1OC(C)(C)OC(=O)C1=CNc2cc3c(cc2OCCC)cccc3	10019
+CC1(C)OC(=O)C(C(=O)O1)C(c2c[nH]c3c(cccc23)CSC)c4ccc5sccc5c4	4922
+c1cc(ccc1C(c2c3cccc(CSCC)c3[nH]c2)C4C(=O)OC(C)(C)OC4=O)Cl	4922
+c1cc(ccc1Cl)C(c2cc(c(cc2)NC(=O)CC(O)=O)Br)=O	4923
+O(C)c1c(NC(=O)CC(=O)O)cccc1	4923
+c1cccc(N)c1C(NCCc2ncc[nH]2)=O	1338
+C=1N(C(c2c(cccc2)N=1)=O)c3c(c(ccc3)-c4cnc(c5[nH]c6c(ccc(OCCOC)c6)c45)C(N)=O)C	10020
+c1cc(ccc1NC(c2ccccc2N)=O)CC(=O)OCC	1768
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CN(C)C(c4c(N)cccc4)=O	10021
+O=C1OCCc2c(ccc(N)c2)N1C	0
+O=C1OCc2cc(ccc12)-c3ccc(OCC)c(OC)c3O	241
+c1(cc2c(cc1)N(C(=O)O2)CC=C)C=O	10022
+O=C1c2c(C(=O)N1C(c3c(Cl)nc4c(ccs4)c3)C)cccc2	2669
+c1ccc2c(c1)C(=O)N(C2=O)C3Cc4c5c(ccc(c5)C#N)[nH]c4C3	518
+c1cc(ccc1)COCCC(F)(F)CN	45
+C1COCCC1(CN)F	45
+O=C(c1c(ccc(C)c1)-c2cnn(C)c2)N3CCCC(C3CN)C	45
+C(CC#Cc1cccc(CF)n1)N	45
+C1CN(CCC1)c2c3NCCN(CCN)c3nc(n2)C#N	45
+c1(cc(Oc2cc(c(cc2I)Cl)Cl)ncc1)OCCN	45
+c12c(cccc1)ccc(OCCN)c2	45
+c1cc(cc2c1Sc3c(nccn3)N2COC)CN	45
+c1(cccc2cnccc12)OCC(C)N	45
+n1c(c(cc2ccsc12)C(C)N)-c3ncccc3	45
+C1CN(CCN1CCCN)Cc2ccccc2	45
+O=S(=O)(c1ccc(c(O)c1)N2C(=O)c3c(C2=O)cccc3)N(C)C	668
+O=C1c2ccccc2C(=O)N1Cc3ccc(SC)cc3F	672
+C1(=O)c2ccccc2C(=O)N1Cc3sccc3	672
+O=C1c2c(cccc2)C(=O)N1c3cc(cc(F)c3)Oc4cccnc4	668
+C1(=O)c2c(C(=O)N1c3cc(c(c(O)c3)C)C(O)=O)cccc2	668
+c1c2c(ccc1)n(CC)c(C)c2C(=O)c3c(C(O)=O)cccc3	10023
+O=C1c2ccccc2C(=O)N1c3ccc(C=CC(N(C)Cc4n(C)c5c(c4)cccc5)=O)cn3	1765
+c1ccc2C(=O)N(C(=O)c2c1)c3ccccc3[N+]([O-])=O	668
+c1ccccc1C(CO)N2C(c3c(C2=O)cccc3)=O	672
+c1cc(ccc1-c2c(c(sc2)N3C(c4c(C3=O)cccc4)=O)C(=O)OCC)CC	10024
+c12c(cccc1)C(=O)N(C2=O)CCCCc3ccc(cc3)O	672
+c1ccc2CC(Cc2c1)N3C(c4c(C3=O)cccc4)=O	672
+c1ccc2C(=O)N(C(=O)c2c1)c3cc(-c4ccccc4)n[nH]3	1765
+c1cc(ccc1C(c2ccccc2C(=O)O)=O)C(C)C	1943
+c12c(cccc1)C(=O)N(C2=O)CCCCC(O)c3ccccc3	74
+c1ccnc2c1CCCC2N(CCCCN)Cc3n(c4ccccc4n3)C	45
+c1cc(ccc1)C(CC)NC(c2c(OCCN)c(-c3ccccc3)nc4c2cccc4)=O	45
+c1cc(ccc1-c2c(-c3c(cccc3)Cl)nc(c(c2)C#N)OCCN)Cl	45
+c1c(C(OCC)=O)c2cc(OC)cc(OC)c2c(CN)n1	45
+c1(Cl)cccc(Cl)c1-c2nc3c(c(ncc3)Nc4ncnc(c4)CN5C(=O)c6ccccc6C5=O)s2	4925
+CN(C)CCc1nnc2n1-c3ccc(F)cc3C(c4c(cccc4)Cl)=NC2	4926
+O=C1c2ccccc2C(=O)N1OCCN=[N+]=[N-]	558
+c12c(C(=O)N(C1=O)c3cc([N+]([O-])=O)c(cc3F)Cl)cccc2	31
+C1(C)c2ccc([N+]([O-])=O)cc2C(=O)C1	31
+C(Nc1cc(F)ccc1)(Nc2cc(Cl)c(cc2)C=O)=O	124
+c1(cc(c(Cl)cc1F)C(=O)O)C	595
+c1(Cl)cc(cc(Cl)c1C(=O)O)SC	634
+c1(c(c2[nH]ccc2cc1Cl)C(=O)O)F	10025
+Cc1cc(cc(C)c1C(O)=O)OCC2CN(C)c3ccccc3O2	595
+c1c(CO)c2n(C)c(cc2cc1)C(=O)O	10026
+C(c1cc(C)c(cc1)C#N)(=O)O	595
+n1[nH]c2ccc(C(=O)O)cc2c1CCC	595
+o1c2c(cc(C(=O)O)cc2)c(c1CO)C	595
+c12ccccc1-c3ccc(C)cc3C2C(O)=O	10027
+c1c(oc2c1cc(C(=O)O)cc2)CC	595
+c1cc(ccc1)-c2ccc(cc2Cl)C(=O)O	595
+c1ccccc1Oc2cccc(Oc3ccccc3)c2C(O)=O	634
+c1cc(ccc1C(=O)O)SCCCCCCCCCC	595
+c1cc(ccc1)-c2c(C(O)=O)c3CCOc3cc2	10028
+c1c2c(csc2ccc1)C(C(O)=O)Nc3cccc(F)c3	10029
+COc1c(F)ccc(C(Nc2cccc(c2)C(=O)N)C(=O)O)c1	4927
+C(O)(=O)C(Nc1cccc(C(=O)N)c1)c2ccc(c(CC)c2)CCOC(Nc3cccc(C#N)c3)=O	4927
+c1c2c(ccc1OC)cc(Br)cn2	10030
+c1cc(c(c(F)c1OCC)F)C=2[Se]C(=CC=2)C=CC	4928
+c1(cc(F)ccc1)C2=C(N=C3N(C(=CC=C3)C)C2=O)C(C)O	10031
+c1c2n(ccc1)ccn2	1935
+c1c(cc(c(Nc2c(C(=O)OC)cn3c(c2Cl)ncc3)c1)Cl)Br	4363
+c1ccccc1-n2ccnc2-c3cc(ccc3)OC	10032
+c1cc(ccc1-c2c[nH]c(n2)C3N(C(C(C(C)C)Nc4sccn4)=O)CCC3)Br	3030
+c1cc(ccc1CCc2sccn2)[N+]([O-])=O	10033
+c1n2c(nc1)cc(-c3cc(ccc3)C(=O)OC)cn2	3117
+c1c2n3c(c4cc(ccc4c2ccc1)OC)ncc3	10034
+c12nccn1cc(C#N)cc2	1935
+n1c2cc3c(cc2oc1C)CCN(CC3)CCCl	61
+c1n2c(nc1)ccc(F)n2	3117
+C(CNc1cccc2cccnc12)O	839
+c1ccccc1NCCO	291
+c12c(cncc1)[nH]c3c2c(ncn3)O	3364
+c12c(ncnc1nc(C)cc2)O	10035
+n1c2c3ccccc3oc2c(nc1)O	10036
+c1c(cc2c(ncnc2c1)O)Br	1116
+c1cc(ccc1Br)-c2ncoc2	10037
+c1cc(ccc1F)-c2c(c3c(c(c2)OC)ncnc3O)Cl	1116
+c1cc(ccc1-c2cc3c([nH]2)ncnc3O)[N+](=O)[O-]	10038
+C(C)OC(=O)c1ccnc(c1)C(=O)N	10039
+c1cc(ccn1)OCCOc2c(cc3c(ncnc3c2)O)OC	4929
+c1c2c(c(N)ncn2)ccc1	10040
+c1ccccc1COc2c(OC)cc3ncnc(O)c3c2	4870
+n1(-c2ccc3c(c(ncn3)O)c2)ccnc1	4929
+n1sc2c(c1-c3cc(C)ccc3)ncnc2O	10041
+O=Cc1c(cncc1C)F	10042
+c1ncncc1CC(C(OC)=O)C=O	10043
+n1c(cncc1)C(c2c(Br)c(C)ccc2)O	10044
+O=Cc1cc(c(C)cc1-c2ccc(c(F)c2F)F)OCC	11
+C(O)c1c(Br)cccc1Cl	41
+c1ccccc1CCCC(c2sccc2Br)O	10045
+c1cc(ccc1-c2ccsc2C=O)Cl	1074
+c1(cccc(C)c1Nc2c(-c3c(C(O)=O)cccc3)nc4ccc(cn24)F)C	1891
+C=Cc1c2ccccc2[nH]c1C(NC)=O	10046
+c1cc(ccc1C(C)C)C(O)c2c(C)cc(C)cc2O	257
+Cc1c(OC)cc(C)c(C(C)O)c1	449
+c1cc(ccc1N=Cc2c(C)ccc(F)c2)C(OCC)=O	457
+c1c(cc(CC(c2c(Cl)cccc2F)O)c(c1)[N+]([O-])=O)Br	10047
+c1(F)c(I)cccc1C=NO	135
+Clc1ccc(C=NO)c(F)c1C(=O)OC	135
+c1(c(F)c(F)c(C=O)cc1)Oc2ncc(C#N)cc2	136
+c1(Cl)c(CO)c(F)cc(C)c1	41
+N#Cc1cc(c(cc1F)CO)F	41
+O=S(=O)(F)c1cc(ccc1)N=Nc2cc(c(O)c(Cl)c2)C=O	725
+Oc1c(C=O)ccc([N+]([O-])=O)c1O	5
+c1cc(ccc1-c2ccc(c(O)c2F)C=O)F	11
+c1cc([N+]([O-])=O)cc(-c2c(c(cc(C(CC(O)=O)C(=O)O)c2)-c3nc4c([nH]3)ccc(C(=N)N)c4)O)c1	622
+O=C(c1cc2c(CCC3C4CCC(=O)C4(CCC23)C)cc1OC(=O)C)O	1182
+c1(c(CO)cc(cc1Br)Br)OC	41
+COc1c(C(C)O)cc(cc1C)F	449
+c1c(c(OC)c(OC)cc1)C=COC	1417
+O=Cc1c(OC)c(Oc2cc(ccc2C#N)OC)ccc1	46
+O=Cc1c(F)ccc(O)c1O	5
+c1(OC)c2c(ccc1C(=O)O)CCC2	1775
+Fc1cc(C)c(OC)cc1C	3072
+[N-]=[N+]=NCCCOc1cc(OC)c(cc1)C=O	267
+C(O)c1cc2c(cc1OC)ncnc2Nc3cccc(Cl)c3F	41
+c1cc(ccc1OCCOCCCC)-c2ccc3N(CCC(=Cc3c2)C(=O)OC)Cc4c(OC)ccc(OC)c4	3043
+c12c(Br)cccc1cc(C(=O)OC)s2	1425
+c12cc(ccc1NC(=O)C2=Cc3c(c(C(=O)O)c(C)[nH]3)C)F	292
+c1(c(cccc1C)C#N)Cl	1421
+c1cnccc1-c2cccc3c2C(C(=O)N3)=Cc4c(C)c(CCC(O)=O)c(C)[nH]4	292
+c1(C(=O)O)sc2c(Cl)cccc2c1	4931
+c1(c(ccc(Cl)c1Cl)[N+]([O-])=O)C=O	31
+[N-]=[N+]=Nc1c(cncc1Cl)C=O	1756
+[N+]([O-])(=O)C=Cc1c(c(F)ccc1)C	417
+O=Cc1c(c(F)cc([N+]([O-])=O)c1)F	31
+c1(NC(C)=O)c(F)c(CO)c(Cl)cc1	41
+O(C)c1c(ccc(C=O)c1[N+](=O)[O-])OC	297
+c1ccccc1COc2c(OC)c([N+]([O-])=O)c(C=O)cc2	22
+c1(c(c(C)ccc1C=NO)I)F	135
+Nc1c(F)cc(C(C)O)c(c1Br)F	4932
+COc1c([N+]([O-])=O)cc(c(O)c1OC)C=O	77
+COc1cccc(c1C)C=C[N+]([O-])=O	417
+COc1cccc(C=C(S(=O)C)SC)c1Cl	10048
+Clc1ccc(Br)c(F)c1C#N	4933
+N#Cc1c(c(C#N)c(F)cc1)Cl	1421
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3ccc(-c4ccc(c(OCCCC)c4)C=O)c(c3)C	951
+c1c(OC)c(CC=C)c(O)c(c1)C=O	423
+c1(cc(-c2cc3ccccc3s2)c(cc1OC)OC)C=O	2187
+c1cc(ccc1)COc2cc(Oc3ccc(C=O)c(c3)Br)ccc2	46
+O=Cc1c2c(cccc2)ccc1CC	1393
+C(O)c1c(ccc2ncccc12)[N+]([O-])=O	41
+c1cc(nc(F)c1)NCc2c(Cl)cccc2	811
+C1C(=O)C(c2ccccc2Cl)C1	10049
+c12c(CN(Cc3ccccc3Cl)C1)c(Nc4cc5c(nc4)cccc5)ncn2	48
+Cc1c(c(ccc1)Nc2ccccc2C=NO)C	135
+c1cc(ccn1)-c2c3c([nH]n2)ccc(-c4nn(C)c(n4)C5CN(Cc6c(F)cccc6OC)CCC5)c3	48
+c1cc2c(CN(CC2)c3nc(C#N)cc4c(CO)c(n(CC=C)c34)C)cc1	269
+O=Cc1c(nc(SC)nc1-c2ccc(cc2C)F)NC(C)CC	198
+c1(nc2c(OC)cccc2cc1CO)-c3cc(ccc3)F	269
+CN1C(Cc2cc(cc(C#N)c12)Br)C	1421
+[nH]1cc(c2c1cc(Cl)c(c2)-c3cc4OCC(CO)Oc4cc3)C(=O)O	1451
+O=S(=O)(n1c2ccccc2c(c1)C=O)C	4093
+c1cc(ccc1)Cn2cc(c3ccccc23)C=O	190
+c1ccccc1S(=O)(=O)n2cc(c3ccccc23)C=O	367
+c1ccccc1-n2c(Cl)c(c3c2cccc3)C=O	1194
+c1cnccc1C(=O)C=Cc2c3ccccc3[nH]c2C	4187
+c1cc(ccc1CO)-c2c(cc3c(c(C=O)c[nH]3)c2)Cl	11
+c1cc(ccc1C)S(=O)(=O)n2ccc3c2cccc3C=O	367
+c1cc(ccc1)Cn2ccc3c(cccc23)C=O	190
+[nH]1c2cc(C)ccc2c(C=NO)c1	506
+c1(c2ccncc2c(cc1)Br)C=NO	135
+C(c1c2nc(oc2c(cc1)Br)C)=NO	506
+c1cc(ccc1)C(c2cc(Br)c(c(OC)c2)OCCOC)O	704
+c1cc(ccc1C(O)c2cc(c3c(CCO3)c2)Br)F	704
+c1(OC)cc(CO)cc(Br)c1	41
+c1(OCOC)cc(cc(Br)c1)C=C	443
+O=Cc1cc(cc(-c2cc(ccc2)[N+]([O-])=O)c1O)C(CC(OC)=O)C(=O)OC	11
+Oc1cc(C)c(c2c1CCC2)OC	2286
+O=Cc1cc(C)c(OC)cc1O	5
+c1(ccnc2cc(c(cc12)OC)OC)Oc3c(cc(C)cc3)C=O	242
+C(=C[N+](=O)[O-])c1cc(C)cs1	10050
+Oc1ccc(CCC(=O)O)cc1C=Nc2c(O)cccc2	457
+c1cc(ccc1)C(O)c2cc(Cl)c(OC)cc2O	704
+n1cc(cnc1)C(c2cc3cccnc3c(Cl)c2)O	4677
+O=Cc1cc(c(O)c(Cl)c1)O	5
+c1c(cc2c(oc3c(nc(-c4cc(OC)ccc4Br)nc23)O)c1)Br	10051
+c1c(OC)ccc2sc(C(=O)OC)cc12	1425
+O=S(=O)(OCCOc1ccc(cc1C=O)OC)C	262
+c1cc(ccc1)COCCOc2c(cc(OC)cc2)C=O	8
+c1ccccc1C(=O)c2cc3c(ccc(OC)c3)o2	10052
+c1ccccc1COc2ccc(OC)cc2C=O	22
+C(O)c1c(F)ccc([N+]([O-])=O)c1	41
+C(O)c1c(ccc([N+]([O-])=O)c1)O	41
+c1(cc2c(sc(C(=O)OC)c2)cc1Br)F	1425
+O=Cc1cc(c(O)c(F)c1)O	5
+c1ccccc1COc2c(F)cc(cc2OC)C=O	22
+c1ccccc1COc2c(cc(C=O)c(O)c2)OC	22
+O=Cc1c(c(Cl)c(O)c(O)c1)Cl	2990
+O=Cc1cc(c(OC)cc1O)-c2cccs2	809
+c1c(c(C#N)cc(c1C)Br)F	4933
+c1ccccc1-c2c(C)c(ccc2)COc3c(Br)cc(C=O)c(O)c3	20
+C(C(CC(=O)O)c1cc(c(O)c(C=O)c1)-c2cc([N+]([O-])=O)ccc2)(OC)=O	4
+c1ccccc1COc2c(C=O)cc(C(=O)OC)cc2Br	22
+O=Cc1cc(cc(c1O)O)Br	5
+CC(O)c1cc(cc(c1OC)OC)Cl	449
+c1ncncc1-c2cc(c(OCCC=C)c(c2)F)C=O	4719
+O1c2cc(cc(C(C)O)c2OC1)Br	449
+c1c(c(Cl)cc(-c2c(cc(cc2)O)C=O)c1)OC	11
+O=Cc1cc(ccc1Br)Oc2cc(c(cc2)C#N)C(OC)=O	46
+c1ccccc1COc2c(cc(cc2)C(OC)=O)C=O	22
+C(CCCC)CCOc1ccc(cc1CO)Br	41
+O=S(=O)(CC)NCc1cncc(Br)c1	10053
+N1(c2c(C(=O)N(c3ccc(Cl)nc13)C)cc(CO)cn2)CC	269
+O1c2c(OC1)c(Cl)cc(CO)c2	41
+O1c2cc(CO)cc(F)c2OC1	41
+O=S(=O)(c1c2cccnc2sc1C(c3cc4OCOc4cc3C)O)N(COCCOC)c5onc(C)c5Cl	4935
+c12OCOc1cc(c(c2)CO)F	41
+c1(cc2c(c(Cl)ccc2)nc1-c3c(cccc3)Cl)CO	269
+c1(cc2c(c(Cl)ccc2)nc1-c3c(cccc3)F)CO	269
+O=Cc1cc2c(nc1-c3c(cccc3)Cl)c(Cl)ccc2	691
+C(C=Cc1cc2c(nccc2)cc1[N+]([O-])=O)(OC)=O	530
+c1(cc2c(o1)cc(cc2)C(=O)OC)C(C)O	10054
+c1(cc2c(nc(c(c2)C=O)O)cc1O)Cl	5
+c1c2c(ccc1O)nc(Cl)c(c2)C=O	5
+c1c2c(ccc1OC)nc(Cl)c(C=NO)c2	506
+C(O)c1c(nc2ccc(cc2c1)OC)NC	269
+C(O)c1cc2ccc(cc2nc1Cl)F	269
+O=Cc1c(nc2c(OC)cccc2c1)-c3cc(ccc3)F	691
+n1cc(-c2[nH]c3cc(Br)ncc3c2)oc1	4936
+c1(cc2ncccc2cc1OC)C=COC	10055
+O=Cc1ccc(-c2ccc(cc2F)F)c(F)c1O	5
+O=Cc1c(O)c(c(cc1)Br)F	5
+O=Cc1ccc(nc1)C#N	942
+c1ccccc1COC(c2cc(c(cc2)C=O)F)=O	470
+O=S(=O)(c1c(C(c2ccc(C)cc2C)O)sc3c1cccn3)N(c4onc(c4Cl)C)COCCOC	4935
+c1cc(ccc1Br)-c2sc(cc2)C(C=Cc3c(c(Cl)c(O)cc3)Cl)=O	307
+c1cc(ccc1Br)NCc2c(-c3ccc(nc3)C(=O)NCCC(=O)OCC)cc(OC)cc2	208
+c1(sc(nc1)NCc2c(cc(OC)cc2)OC)Cl	10056
+C(O)c1ccc(OCC)cc1C	41
+O(CC)C(C=Cc1ccc(OCCOC)cc1O)=O	10057
+O(Cc1ccc(cn1)F)c2cc(F)c(cc2)C=C[N+]([O-])=O	417
+O(c1cccc(c1)F)c2ncc(CC[N+](=O)[O-])cc2	10058
+n1cc(-c2ccc([N+]([O-])=O)cc2C)oc1	2939
+c1ccccc1P(c2ccccc2)(c3ccccc3)=CC(C(OCC)=O)=Cc4c(cc([N+](=O)[O-])cc4)F	2897
+Clc1cc2nc([nH]c2cc1Cl)Sc3oc(C=O)cc3	4248
+c1ccccc1COc2ccc(c(c2C)O)C=O	22
+c12c(C(=O)N(C1=O)Cc3c4ccccc4c(C=O)cc3)cccc2	1930
+O=Cc1c(cc(C#N)cc1)CC	1393
+O=Cc1ccc(OCc2ccc(cn2)F)cc1F	412
+C(C=Cc1ccc(cc1O)F)(OC)=O	10059
+c1ccccc1COc2cc(O)c(cc2)C=O	22
+c1ccccc1COc2c(ccc(OCOC)c2)C=O	22
+c1cc(CO)cnc1C#N	269
+C1COC(O1)c2ccc(nc2)F	4937
+n1c(OC)ccc(CO)c1	269
+Brc1c2ccccc2ccc1C=C	443
+[N+]([O-])(=O)C=Cc1cccc(Br)c1CC	417
+O=S(=O)(c1cc(Br)c(cc1)Oc2c(cccc2C)C=O)CC	46
+c1(cc(CO)ccc1)C=O	41
+c12c(CN(Cc3cccc4c3OCO4)C1)c(Nc5cc6c(nc5)cccc6)ncn2	48
+C1COC(O1)c2cccc3[nH]c(nc23)-c4ccccc4[N+]([O-])=O	4937
+c1c(CO)c2c(cc1)ccn2C	269
+c1cc(ccc1)-c2ccccc2C=O	11
+CCOC(=O)C=Cc1c(cccc1)Br	530
+c1cc(c(CNc2cc(c(Cl)cc2)NC3=C(C(=O)CCC3)C)cc1)C	208
+c1cc(c(C)cc1)C(c2c(C)cccc2)O	257
+N(=Cc1ccccc1F)O	135
+c1cccc(F)c1C(c2ccccc2F)O	257
+O=Cc1ccccc1Sc2ccc3c4c2ccc5cccc(cc3)c45	815
+c1cc(ccc1Cl)Oc2ccccc2C=O	46
+c1(I)ccccc1C=Cc2c(Br)cccc2	1521
+Oc1ccccc1C(C[N+]([O-])=O)O	10060
+c1c(C)c(c(cc1O)C)N=Cc2c(O)cccc2	457
+c1cc(ccc1)Oc2ncccc2NCc3c(O)cccc3	3118
+[N+](=O)(c1cc(c(CCNCc2c(cccc2)OC)cc1OC)OC)[O-]	42
+c1ccccc1CCN2C(Nc3ccnc(c3C2=O)Cl)c4c(cccc4)OC	4736
+c1cc(ccc1C(O)c2c(OC)cccc2)CC	704
+c1ccc2c(sc(n2)C(c3ccccc3OCOC)O)c1	10061
+c1c(C=C)c(ccc1)Sc2ccc3c4c2ccc5cccc(cc3)c45	443
+c1([N+]([O-])=O)c(cccc1)-c2nc3c([nH]2)cccc3CO	622
+C1CCCCC1=Cc2ccccc2[N+]([O-])=O	10062
+n1c2c(cccc2)c([nH]1)C=Cc3c([N+]([O-])=O)cccc3	10063
+C1COC(O1)c2sccc2	10064
+N(Cc1nc2CCOCc2c(O)n1)Cc3cccs3	1466
+c1(C=NO)ccnc2c(Br)cccc12	135
+n1ccc(C(C)O)c2cc(C#N)ccc12	449
+O=Cc1cnc(c2cc(OC)c(OCCCOC(=O)C)cc12)C(=O)c3cccc(OC)c3	3807
+O=C(O)c1cnc(C(=O)c2cccc(OC)c2)c3cc(OC)c(OCCCOC(=O)C)cc13	2038
+Fc1c(OC)cc(OC)c(F)c1NCc2c(Cl)cc(Cl)nc2	2116
+COc1c2n(ncc2C=NO)cc(c1)Br	4938
+O=Cc1n(C)cc(C(=O)O)c1	1
+O(CC)C(C=Cc1n(ccc1)-c2ccc(C#N)cc2C)=O	10065
+n1ccccc1NN=Cc2nc3c(cc2)cc(cc3Br)F	1698
+c12ccc(nc1c(ccc2)O)C=NO	688
+n1c(ccc2ncccc12)CO	453
+Clc1ccc(c(c1)-c2cc(ncc2)C=O)O	835
+c1(cc(cc2nc(nn12)-c3ncccc3)Br)N	10066
+O=C(c1oc(cc1)C#N)O	10067
+c1cc(ccc1-c2ccccc2S(C)=O)CC(O)(c3nc(cn3S(=O)(=O)N(C)C)CC(C)(C)CC)C	2033
+c1cc(ccc1[N+]([O-])=O)S(C2CC2)=O	2033
+CC(C)(C(=O)O)CNC(OCc1ccccc1)=O	2773
+N1(CCN(CC1C)N)C(=O)C	1651
+c1ccccc1COc2cc(ccc2)C(C(C)(C)O)S(=O)(=O)N	4939
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C)C(O)=O	3
+c1cc(ccc1)C=2C=CN(C(=O)C=2C)CCC(S(=O)(=O)C)(C(=O)O)C	3
+CC(C)S(=O)(=O)NC1CCCC1O	118
+CC(C)S(=O)(=O)c1cc([N+]([O-])=O)c(cc1)Cl	31
+O=S(=O)(O)C(CCN=[N+]=[N-])C(OC)=O	310
+n1ccnn1-c2ccc(cc2)C=3C(F)=CN(CCC(S(=O)(=O)C)(C)C(=O)O)C(=O)C=3	3
+c1cc(ccc1-n2cccn2)CCC(S(=O)(=O)C)(C)C(=O)NO	792
+c1cc(ccc1-c2ccc(cc2)[N+](=O)[O-])CCC(C(=O)NOC3CCCCO3)(S(=O)(=O)C)C	11
+O=S(=O)(C(c1c(C)cc(C(=O)NCOCc2cnccc2)nc1)c3cc(F)ccc3F)c4ccc(cc4)F	10068
+c1ccccc1-c2ncc(CCC(S(=O)(=O)C)(C(=O)NO)C)cc2	119
+O=S(=O)(C(C)(C(OCC)=O)CCn1cc(cn1)-c2cnccn2)C	338
+O=S(=O)(C(CCc1cnc(Br)cc1)(C)C(=O)O)C	3
+O=S(=O)(C(C)(CCN1C(=O)C(=C(c2ccccc2)C=C1)C)C(OCC)=O)C	10069
+O=S(=O)(C)C(C(O)=O)(CCN1C=C(C(=CC1=O)I)F)C	3
+O=S(=O)(C(CCN1C=C(F)C(=CC1=O)C#Cc2ccccc2)(C)C(OCC)=O)C	10070
+O=S(=O)(C)C(CCn1ncc(-c2cnccn2)c1)(C)C(NO)=O	792
+O=S(=O)(CC(C#N)(C)NC(OCc1ccccc1)=O)C	101
+c1cc(ccc1CN(CCCn2c3c4c(nc(N)c3nc2CCCC)cccc4)C(=O)CS(=O)(=O)C)CC(OC)=O	10
+O=S(=O)(C)CCC(Cc1cccc(C#N)c1)(NC(OC)=O)C(O)=O	4
+O=S(=O)(C)CCC(Cc1cccc(C#N)c1)(C(=O)NCC(NCc2sc(C#N)cc2)=O)NC(=O)OC	207
+C(CCN1C(=O)N(c2ncn(c2C1=O)C)C)CCCCCCCC=C	10071
+O=S(=O)(C)OCCCS(=O)(=O)C	7
+O=S(=O)(C)CCCOc1ncc(-c2ccc(F)c(c2)CO)c(C)c1	49
+O=S(=O)(C)CCN1CCN(CC1)c2c(cc(N)c(c2)OC)CC	0
+O=S(=O)(C)CCN1CCN(CC1)c2c(CC)cc(c(OC)c2)[N+](=O)[O-]	34
+c1(c(c(ccc1)C#N)O)F	10072
+O=S(=O)(C)Cc1cc(N2CCOCC2)nc(-c3cc4c(cc3)[nH]nc4)n1	3119
+O=S(=O)(C)Cc1nc(nc(N2CCOCC2)c1)-c3cc4c(C)n[nH]c4cc3	3119
+O=S(=O)(CC)CCCn1c(COS(=O)(=O)C)cc2cc(Cl)ccc12	7
+O=S(=O)(N(c1cccc2cc([nH]c12)C=3SC(CN=3)(C)CCOS(=O)(=O)C)C)c4cccs4	7
+O=S(=O)(C)OCC(C)NS(=O)(=O)c1ccccc1[N+]([O-])=O	7
+O=S(=O)(c1cc(ccc1)Cl)Nc2cc(nc3sc(C#CCOS(=O)(=O)C)c(-c4cc(ccc4)OC)c23)C	10073
+O=S(=O)(Nc1cccc(N2C=3N(C)C(C=C(OS(=O)(=O)c4ccc(cc4)C)C=3C(N(C5CC5)C2=O)=O)=O)c1)C	80
+O=S(=O)(OCCOC1CC2COc3c(F)ccc(F)c3C2(S(=O)(=O)c4ccc(cc4)Cl)CC1)C	7
+O=S1(=O)CCN(CCN1)S(=O)(=O)C	112
+O=S1(=O)c2cc(c(OC)cc2C(c3ccccc3)NC(CC)(C1)CCCC)CCCOS(=O)(=O)C	7
+OB(O)c1cccc(OS(=O)(=O)C)c1	444
+O=S(=O)(OC1c2c(cccn2)CCCC1)C	7
+O=S(=O)(OCC(c1cc(c(cc1)Cl)Cl)CC=C)C	7
+O=S(=O)(C)OCC(c1ccc(Cl)c(c1)Cl)CCOC2OCCCC2	7
+C1CC1(CO)COS(=O)(=O)C	7
+O=S(=O)(OCC1N2C=3N(C1)C(C=NC=3C=CC2=O)=O)C	7
+O=S(=O)(C)OCC1Cc2c(cccc2)C(N1)=O	7
+O=S(=O)(C)OCc1ncccc1	7
+O=S(=O)(C)Oc1ccccc1OC	444
+O=S(=O)(C)OCC1Oc2c3ccc(nc3c(C)cc2C1)O	7
+O=S(=O)(C)OCCCCN=[N+]=[N-]	7
+O=S(=O)(C)OCCCC1Cc2c(C(=O)N1)[nH]c3ccc(OC)cc23	7
+O=S(=O)(OCCc1sc2nc(-c3cccc(C#N)c3)nc(c2c1)N)C	7
+O=S(=O)(C)Nc1ncc(c(C)c1)Br	802
+O=S(=O)(Oc1ccc(F)cc1Cl)C	444
+O=S(=O)(C)OC(C)c1c(c(C(=O)NCC)c(c(c1)Cl)C)-c2cc(F)cc(c2)F	7
+c1(cc(cc(F)c1)C(C2CCN(CC2)S(=O)(=O)C)CC(OC(C)C)=O)F	112
+c1(F)cc(cc(F)c1C2=CCN(CC2)C(=O)C3OC(C)(C)OC3)N4C(OC(C4)COS(=O)(=O)C)=O	7
+O=S(=O)(Nc1cn(c(C#N)c1)C)C	1374
+O=S(=O)(C)OCC1CN(C(=O)O1)c2ccc(c(F)c2)N3CC(N(CC3)C)=O	7
+O=S(=O)(C)OCC1CN(C(=O)O1)c2ccc(N3CC(=O)N(CCOC)CC3)c(F)c2	7
+O=S(=O)(C)OCc1nc(Cl)nc(N2CCOCC2C)c1	7
+O=S(=O)(OCc1c(F)c(ccc1Cl)NC(=O)C)C	7
+O=S(=O)(C)OCCOc1cc(c(cc1F)F)F	7
+O=S(=O)(Nc1n[nH]c2ccc(cc12)[N+](=O)[O-])C	802
+O=S(=O)(C)OCCc1cccc(c1)[N+]([O-])=O	7
+O=S(=O)(C)OCC1c2ccccc2CC1NC(c3cc4sc(c(Cl)c4[nH]3)Cl)=O	7
+O=S(=O)(OCC(CNC(=O)C)c1cccc2ccc(OC)cc12)C	7
+O=S(=O)(C)n1nc(-c2ccnc3ccc(cc23)C#N)cc1	2604
+c1cc(ccc1CC23CC(CN2C(N(c4cc(Cl)cc(c4)Cl)C3=O)=O)OS(=O)(=O)C)C#N	7
+c1c(OCC)c(c(cc1CCl)OCC)-c2ccc(cc2)F	438
+O=S(=O)(C)OCCc1cnn(c1)-c2nccc(C#N)c2	7
+O=S(=O)(C)OCc1coc(COC)n1	7
+c12c(C(=O)N(C1=O)CCCN(S(=O)(=O)c3ccc(cc3)C)CC(F)(F)CCOS(=O)(=O)C)cccc2	7
+O=S(=O)(C)OC1Cc2c(cccc2CC1)NC(=O)C	7
+O=S(=O)(OCCC1c2c(CCO1)cc(-c3cnccc3)cc2)C	7
+O=S(=O)(OCc1cc2cc(Cl)cc(F)c2n1CCC(OCC)=O)C	7
+O=S(=O)(OCCC1OCCc2c1ccc(c2)C(=O)N)C	7
+O=S(=O)(OCCOCCc1ccc2c(ccs2)c1)C	7
+O=S(=O)(Nc1cc2c([nH]cc2CC(=O)OC)cc1)C	80
+Cc1cccc(C)c1-c2c(C)c(COS(=O)(=O)C)ccc2	7
+O=S(=O)(NCCOc1cc(C)c(c(c1)C)Br)C	111
+O=S(=O)(C)OCCCn1cnc2ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)cc12	7
+O=S(=O)(C)OCCc1cccc(C2=NN(C(C=C2)=O)Cc3cccc(C(OC)=O)c3)c1	7
+O=S(=O)(OCc1c(C)c([N+](=O)[O-])ccc1)C	7
+O=S(=O)(OCCOc1cc(F)cc(F)c1)C	7
+O=S(=O)(C)Nc1cc(ccc1)-c2csc3cnc(nc23)Cl	80
+O=S(=O)(C)Nc1cccc(-c2c3nc(Cl)nc(N)c3sc2)c1	80
+O=S(=O)(C)Nc1cccc(OCC2OC2)c1	80
+O=S(=O)(C)N1CCC(Nc2cc(c(C#N)cc2)Cl)C1	112
+c1c([N+]([O-])=O)c(ccc1C=CCCl)OCOC	10074
+O=S(=O)(C)OCCOc1ccc2n(cc(CC(N3C4CC4CC3C(=O)NCc5c(F)c(ccc5)Cl)=O)c2c1)C(=O)N	7
+O=S(=O)(NCCn1c(nc2c(ncnc12)N)Sc3cc(OC)ccc3I)C	111
+O=S(=O)(C)OCCOc1ccc(-c2ccccc2F)nc1	7
+c1c(cc2c(OC(C)C(=O)N2)c1)CCl	438
+O=S(=O)(C)OC1CCCN(c2nc3ccc(cc3s2)Br)C1	7
+O=S(=O)(OCCCN1CCN(C(C=Cc2ccc(c(c2)Cl)Cl)=O)CCC1=O)C	7
+O=S(=O)(OCCc1oc2c(cc(cc2)-c3n4c(ccn4)nc5c3CCC5)c1)C	7
+O=S(=O)(C)OCC(O)CC1c2ccccc2CCc3sccc13	7
+c1c2c(cc(c1)CCl)N(c3c(nccn3)S2)COC	438
+O=S(=O)(OCC(N1c2ccccc2Sc3ccc(C#N)cc13)C)C	7
+O=S(=O)(Nc1c2cc(Cl)c(cc2on1)COc3cc(c(cc3)F)Cl)C	802
+O=S(=O)(OCCn1ncc(-c2cc(-c3nc4ccccc4o3)c(nc2)N)c1)C	7
+O=S(=O)(NCCOCCOc1ccc2c3c(c(nc2c1)N)nc(CCC)s3)C	111
+O=S(=O)(NCCSc1n2ccnc2ccc1)C	111
+O=S(=O)(C)OCCOc1ccc2c(ccnc2c1)-c3c4n(nc3-c5ccccn5)CCC4	7
+O=S(=O)(OCc1cnc(C#N)cc1)C	7
+O=S(=O)(C)Nc1c(cccc1)Nc2c(cnc(Cl)n2)F	80
+O=S(=O)(OC1CN(CC1)c2ccc(cn2)Br)C	7
+O=S(=O)(OCc1c(OC)ccc(I)c1)C	7
+O=S(=O)(C)Nc1c(OC)ccc(c1)Br	80
+O=S(=O)(C)OCc1ccc(C#N)c(F)c1	7
+O=S(=O)(NCc1cccc(CC(=O)OCC)c1)C	111
+O=S(=O)(Nc1cc(OC(OCC)=O)ccc1OC)C	80
+c1cc(ccc1)-c2c(C(=O)Nc3ccc(cc3)S(=O)(=O)N4c5ccccc5SC(C=C4)CCS(=O)(=O)C)cccc2	1887
+O=S(=O)(C)OCCc1c2ccccc2[nH]c1-c3ccccc3	7
+c1cc(ccc1)-c2c(ncn2C3C(CCCC3)OS(=O)(=O)C)C(=O)OCC	7
+c1cc(ccc1)-c2c3c(N(C(=O)N(C3=O)C)C)cn2CC(OS(=O)(=O)C)C	7
+O=S(=O)(OCC(c1ccccc1)C(=O)Nc2cc3c(cncc3)cc2)C	7
+c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C	7
+c1ccccc1C(c2ccccc2)N3CC(C3)NS(=O)(=O)C	111
+c1cc(ccc1)CN2CCC(COS(=O)(=O)C)C2	7
+c1cc(ccc1)COC(=O)N2CC(COS(=O)(=O)C)CCC2	7
+c1cc(ccc1)COC(CCCCS(=O)(=O)C)=O	1887
+c1cc(ccc1)COC(N(c2cccc[n+]2[O-])CCCOS(=O)(=O)C)=O	7
+O=S(=O)(Nc1ccc(c(CN(C(=O)OCc2ccccc2)CC)c1)-c3c(OC)ccc(c3)CC(OCC)=O)C	80
+c1cc(ccc1)COC(=O)c2c3cc(ccc3[nH]c2C)CCOS(=O)(=O)C	7
+O=S(=O)(OCC(c1c(cc(cc1)Br)C)COCc2ccccc2)C	7
+O=S(=O)(OCC(F)(F)COCc1ccccc1)C	7
+O=S(=O)(C)OCCCc1c(cccc1OCc2ccccc2)C(OCC)=O	7
+c1cc(ccc1)COc2ccccc2OCCOS(=O)(=O)C	7
+c1cc(ccc1)N2C(CC(COS(=O)(=O)C)CC2)=O	7
+c1cc(ccc1)NC(NC(CCCCOS(=O)(=O)C)C(=O)N2CCCCC2)=O	7
+c1cc(ccc1)Oc2c(cc(F)cc2)N(C(=O)C)Cc3c(ccc(OC)c3)OCCOS(=O)(=O)C	7
+c1cc(ccc1)Oc2cc(c(cc2C3=CN(C)C(=O)C=C3)NS(=O)(=O)C)C	80
+O=S(=O)(NC(=O)c1ccc(c(-c2c(nccc2)OC)c1)Oc3ccccc3)C	4358
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCCC3(CCCCC3)CCOS(=O)(=O)C	7
+c1cc(ccc1-c2c(c3cc(Br)c(cc3o2)NS(=O)(=O)C)C(OCC)=O)F	80
+O=S(=O)(C)NCc1cccc2c(O)nc(-c3ccc(cc3)CN4CCN(CC4)C)cc12	111
+c1cc(ccc1-c2ccc(C=O)s2)CCl	438
+c1cc(ccc1-c2ccc(cc2)C(C)=NOCCOS(=O)(=O)C)F	7
+c1cc(ccc1-c2cc3c(cc2)oc(CCOS(=O)(=O)C)c3)C#N	7
+c1cc(ccc1NS(=O)(=O)C)-c2c3nccn3ccc2	80
+c1cc(ccc1-c2csc(-c3c(C)sc(c3)C(=S)OC)n2)NS(=O)(=O)C	80
+c1cc(ccc1-c2nc(COS(=O)(=O)C)cc(N3C(C)COCC3)n2)NC(=O)Nc4nocc4	7
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCCOS(=O)(=O)C	7
+c1cc(ccc1-c2nc(c(nc2)N)C(=O)Nc3cccnc3)CCOS(=O)(=O)C	7
+O=S(=O)(C)OCc1c2c(nc(-c3ccc(cc3)OCOC)c1)n(nc2C)C4CCCCO4	7
+O=S(=O)(C)Nc1cc2oc(c(C(=O)NC)c2cc1Br)-c3ccc(cc3)C#N	80
+c1cc(ccc1CCOS(=O)(=O)C)-n2c(CC)nc3c2cc(c(C(N)=O)c3)Cl	7
+C1CCCC1(c2ccc(cc2)Br)COS(=O)(=O)C	7
+O=S(=O)(C)OCCCc1ccc(cc1)Br	7
+O=S(=O)(C)OCCC#Cc1ccc(cc1)-c2cn3c(cc(C)cc3)n2	7
+c1cc(ccc1C(Oc2cc(OC)c(OC)cc2)CCCOS(=O)(=O)C)C#N	7
+c1cc(ccc1C(CCOS(=O)(=O)C)n2cncc2)C#N	7
+c1cc(ccc1C#N)CCOS(=O)(=O)C	7
+c1cc(ccc1C(C(Nc2c(-c3cc(OC)c(cc3)OC)nccc2)=O)OS(=O)(=O)C)C	10075
+O=S(=O)(C)Nc1c2c(ccc1)n(C(CC(=O)OC)(c3ccc(cc3)Cl)CC)cc2	80
+c1cc(ccc1C2(CCC2)C(N3CC(CCC3)COS(=O)(=O)C)=O)Cl	7
+CC1(C)C(=C(c2ccc(cc2)F)c3c(O1)cc(cc3)NS(=O)(=O)C)F	80
+c1cc(ccc1Br)C2=NOC(C2)COS(=O)(=O)C	7
+O=S(=O)(C)OC1CC(OC1)c2ccc(cc2)Cl	7
+O=S(=O)(C)OC1CC(c2ccc(cc2)Cl)OCC1	7
+c1cc(ccc1Cl)CC(C(C)OS(=O)(=O)C)c2cc(ccc2)C#N	7
+O=S(=O)(N1CCC(c2ccc(cc2)CC(N)C(=O)OC)=CC1)C	990
+c1cc(ccc1NS(=O)(=O)C)CC(O)=O	80
+c1cc(ccc1CC(OC)=O)CN(CCCOS(=O)(=O)C)CCCN2C(Nc3c(nc(nc23)OCCCC)N)=O	7
+c1cc(ccc1CCCOS(=O)(=O)C)-c2c(F)c(c(cc2)OCC)F	7
+c1cc(ccc1CCNc2c(c(CC)ncn2)C(OCC)=O)CCOS(=O)(=O)C	7
+O=S(=O)(OCCc1ccc(cc1)CCCCCCCC)C	7
+c1cc(ccc1CCOS(=O)(=O)C)OCCCN2CCCCCC2	7
+c1cc(ccc1CCOS(=O)(=O)C)CCOC2OCCCC2	7
+O=S(=O)(C)N(Cc1ccc(cc1)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C)C	112
+c1cc(ccc1-c2c(Br)cccc2)COS(=O)(=O)C	7
+c1cc(ccc1-c2nccnc2)COS(=O)(=O)C	7
+O=S(=O)(OC1CN(C(=O)OCc2ccc(cc2)[N+]([O-])=O)CC1)C	7
+O=S(=O)(OC1CN(C1)c2scc(n2)C(=O)NC3CN(CC3)C(=O)OCc4ccc(cc4)[N+]([O-])=O)C	7
+O=S(=O)(OCCOCCOCCOCc1ccc(cc1)OC)C	7
+O=S(=O)(OCCn1ccc2cc(ccc12)C#Cc3ncc(cc3)-c4ccc(cc4)Cl)C	7
+c1cc(ccc1OCCOS(=O)(=O)C)C#Cc2ncc(-c3ccc(cc3)Cl)nc2	7
+O=S(=O)(C)OCCC#Cc1ccc2c(snc2-c3ccc(cc3)Cl)c1	7
+c1cc(ccc1Cl)-c2nsc3cc(ccc23)C#CCCCOS(=O)(=O)C	7
+C1CCCCC1C(c2n(-c3ccc(cc3)Cl)nc4CCCc24)COS(=O)(=O)C	7
+O=S(=O)(C)OCc1noc(C)c1-c2c(C(c3ccc(cc3)Cl)=O)cccc2	7
+O=S(=O)(C)OC1C(c2ccc(cc2)Cl)COCC1	7
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(N(CC)C=2)sc(CCl)c3)=O	1732
+c1cc(ccc1Cl)CNC(C=2C(=O)c3cc(CCl)sc3N(C=2)CCOC)=O	1732
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(N(C)C=2)c(I)cc(CCl)c3)=O	438
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(N(C=2)C)c(c(CCl)s3)C)=O	1732
+O=S(=O)(c1ccc(cc1)Cl)C(c2c(F)ccc(F)c2)c3c(cnc(NS(=O)(=O)C)c3)C	802
+O=S(=O)(C)Nc1c(Br)cc2c(oc(-c3ccc(cc3)F)c2C(=O)OC)c1	80
+c1cc(ccc1F)-c2n3c(cc2C(OCC)=O)cc(cc3)COS(=O)(=O)C	7
+c1cc(ccc1F)-c2c(c3c(cc(c4OC(C)Cc34)NS(=O)(=O)C)o2)C(OC)=O	80
+c1cc(ccc1F)CCN2CCC(C(COS(=O)(=O)C)C2)C	7
+c1cc(ccc1C(=O)N2CC(CC2)OS(=O)(=O)C)I	7
+c1cc(ccc1C(CC2CCCC2)C(=O)Nc3sccn3)NS(=O)(=O)C	80
+c1cc(ccc1NS(=O)(=O)C)C(OCC)=O	80
+c1cc(ccc1N(c2c3c(nc(C)n2)cccc3)C)NS(=O)(=O)C	80
+C1(c2ccccc2C(=O)N1CCCOc3ccc(cc3)NS(=O)(=O)C)=O	80
+O=S(=O)(C)OCCc1cccc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)c1	7
+c1cc(ccc1N2C(=O)C(COS(=O)(=O)C)CC2)Cl	7
+c1cc(ccc1S(=O)(=O)NC(COS(=O)(=O)C)C(Nc2ccc(cc2)CC(OCC)=O)=O)F	7
+c1cc(ccc1OC)-c2nc(oc2-c3ccc(cc3)OCCOS(=O)(=O)C)OC	7
+c1cc(ccc1OC)CCCCOS(=O)(=O)C	7
+c1cc(ccc1OC)CN2C(=O)C(=CC(=N2)COS(=O)(=O)C)Br	7
+c1cc(ccc1OC)COc2cc(COS(=O)(=O)C)c(-c3cc(OC)ccc3F)cc2	7
+O=S(=O)(C)N1CCC(C1)Oc2ccc(cc2)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5	112
+O=S(=O)(OCC(COc1ccc(cc1)C#N)O)C	7
+O=S(=O)(Oc1ccc(cc1)OCCCc2ccc(cc2)OCc3ccccc3C(OC)=O)C	444
+c1cc(ccc1CC(C)(C(=O)OCC)Oc2ccc(cc2)C(C)C)OCCOS(=O)(=O)C	7
+c1cc(ccc1OCCOS(=O)(=O)C)CC(C)(CCCc2ccccc2)C(=O)OCC	7
+O=S(=O)(C)OCCOc1ccc(cc1)Cc2c(nn3c2nc(cc3C)C)CC	7
+c1cc(ccc1OCc2ccccc2)CCCCOS(=O)(=O)C	7
+O=S(=O)(C)OCCCc1ccc(cc1)OCc2ccccc2	7
+O=S(=O)(Oc1ccc(cc1)OCCc2ccc(cc2)OCc3ccccc3C(OC)=O)C	444
+c1cc(ccc1OCc2ccccn2)-c3nc(CCOS(=O)(=O)C)c(C)o3	7
+C(OC)(=O)C(C(OC)=O)(CNS(=O)(=O)c1ccc(cc1)OCC#CC)N2CCN(CC2)S(=O)(=O)C	112
+O=S(=O)(Oc1cc2c(cc1)OCC(O2)COS(=O)(=O)c3ccc(cc3)C)C	444
+O=S(=O)(C)Nc1ccc(cc1)SCCCCl	80
+c1cc(ccc1[N+]([O-])=O)COC(=O)N2C(COCC(O)=O)CC(OS(=O)(=O)C)C2	7
+c1cc(ccc1[N+](=O)[O-])NS(=O)(=O)C	80
+C1CC(CCN1S(=O)(=O)C)Oc2ccc(cc2)[N+]([O-])=O	112
+c1cc(ccn1)CN(S(=O)(=O)C)Cc2cc(-c3nc(Cl)ncc3)ccc2	112
+O=S(=O)(OCC1ON=C(C1)c2ccc(Br)cn2)C	7
+O=S(=O)(Nc1c(ccc2C(C#N)CCCc12)OC)C	80
+O=S(=O)(C)N1CCCc2c1ccc(Br)c2	1632
+c1cc2nc(SC)sc2cc1CCl	438
+O=S(=O)(C)Nc1c(cccc1)C(=O)OCC	80
+O=S(=O)(Nc1ccccc1C#Cc2c3nc(nn3ccc2)Cl)C	80
+O=S(=O)(C)NC1CCCOc2c1cccc2	111
+O=S(=O)(C)OCCc1cccc2ccc(OC)cc12	7
+O=S(=O)(OCc1ccc(cc1C)-c2c(cccc2)Cl)C	7
+c1cc2c3ccccc3n(c2cc1)CCCOS(=O)(=O)C	7
+O=S(=O)(OCCn1c2cc(-c3ccccc3)cc(C)c2nc1CCC)C	7
+c1ccccc1-c2nc3c(c(C(=O)NC(CC)c4ccccc4)c2CNS(=O)(=O)C)cccc3	111
+c1ccccc1C(=O)OC2(CC2)CCOS(=O)(=O)C	7
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)COS(=O)(=O)C	7
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(COCc4ccccc4)OS(=O)(=O)C	7
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(F)nc(CCCOS(=O)(=O)C)c4	7
+c1cc(ccc1)CC(CCCc2ccccc2C(=O)OC)OS(=O)(=O)C	7
+c1cc(ccc1)CC2NC3(CCN(CC3)S(=O)(=O)C)N(Cc4ccccc4)C2=O	112
+c1ccccc1COC(NC(COS(=O)(=O)C)C)=O	7
+O=S(=O)(OCCCCNC(=O)OCc1ccccc1)C	7
+c1ccccc1COC(=O)c2ccc(cc2)-c3cc(C)c(c(c3)C)OCCOS(=O)(=O)C	7
+c1ccccc1COC(N2c3c(cc(N4CC(COS(=O)(=O)C)OC4=O)cc3)CCCC2)=O	7
+c1ccccc1COC(=O)NC(COS(=O)(=O)C)COC	7
+c1ccccc1COC(=O)NCCCCN(CC)S(=O)(=O)C	112
+O=S(=O)(C)Nc1c(ccnc1)OCc2ccccc2	1374
+O=S(=O)(C)OCc1c(ccc(C=O)c1)OCc2ccccc2	7
+c1ccccc1COc2ccc(cc2)N(c3ccc(cc3)C(COS(=O)(=O)C)C)C	7
+c1ccccc1COc2ccc(cc2NS(=O)(=O)C)OCC#N	80
+O=S(=O)(C)OCCNc1ccccc1	7
+c1ccccc1Nc2cc(N3CCN(CC3)S(=O)(=O)C)ccc2[N+]([O-])=O	112
+c1cc(ccc1CC(Oc2ccccc2)C(OCC)=O)OCCOS(=O)(=O)C	7
+O=S(=O)(C)OCCCCCCCCCCCOc1ccccc1	7
+O=S(=O)(C)OCCCCCCCOc1ccccc1	7
+c1ccccc1OCc2oc(c(CCOS(=O)(=O)C)n2)C(=O)OCC	7
+O=S(=O)(Nc1cc(ccc1Oc2ccccc2)O)C	80
+O=S(=O)(Nc1c(Oc2ccccc2)ccc(c1)OC)C	80
+c1ccccc1P(c2ccccc2)(=O)c3ccc4c(cccc4)c3-c5c6c(ccc5NS(=O)(=O)C)cccc6	80
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCc3cccc(CCl)c3	438
+O=S(=O)(Nc1c(cccc1)-c2ccncc2)C	80
+O=S(=O)(N1Cc2c(CC1)c(ncc2)Nc3cc(-c4cc5ccccc5cn4)c(C)cc3)C	112
+C1CC(CCC1OS(=O)(=O)C)Oc2ncc(cn2)CC	7
+c1nc2Nc3cc(ccc3Sc2nc1)CCl	438
+O=S(=O)(C)OCc1ccc2c(sc(n2)Br)c1	7
+O=S(=O)(n1c(C)c(c(C)n1)-c2ccc3n(c(cn3)C(Nc4c(C)ccc(-c5noc(n5)C)c4)=O)c2)C	2604
+O=S(=O)(OCCc1cc(ccc1)Nc2ncc3CC(c4c(cccc4)-c3n2)c5c(cccc5)F)C	7
+O=S(=O)(OCc1cnc(cc1)F)C	7
+O=S(=O)(C)OCCn1c2c(c3nc(-c4occc4)nn3c(n2)N)cc1	7
+n1cc(cnc1N2CCC(CC2)CCCOS(=O)(=O)C)CC	7
+n1cc(cnc1N2CCC(CC2)OS(=O)(=O)C)CC	7
+n1cc(cnc1N2CCC(CC2)OS(=O)(=O)C)CCC	7
+O=S(=O)(OCCc1c2ccccc2on1)C	7
+O=S(=O)(C)N(c1c(N)cc(Br)cc1)C	0
+c1cc(ccc1N(S(=O)(=O)C)C)C(NCC2N(CCN(c3ccccc3)C2)Cc4ccccc4)=O	513
+O=S(=O)(N(C)c1ncc(c(c1)C)-c2cc(Cl)ccc2OC(C)C(=O)O)C	89
+O=S(=O)(C)Nc1cc(Br)ncc1I	4941
+O=S(=O)(C)Nc1c(I)cc([N+]([O-])=O)cc1	4941
+O=S(=O)(C)N1CC(N(Cc2oc3c(C(=O)N(C)C=C3Br)c2)CC1)C	2693
+O=S(=O)(C)N1CC(Nc2nc(nc(Nc3ccc(c(c3)Cl)F)n2)Cl)CC1	387
+O=S(=O)(C)N1CCN(CC1)C(C(NC(=O)c2ccc(cc2)F)CCCO)=O	21
+O=S(=O)(C)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)c2ccc(cc2)F	4
+O=S(=O)(C)N1CCN(CC1)C(=O)C(CCCNC2C(C2)c3ccc(cc3)F)NC(c4ccc(cc4)F)=O	110
+O=S(=O)(C)N1CCN(CC1)C(=O)C(CCC=O)NC(c2ccc(cc2)F)=O	24
+c1nc(ncc1CC)N2CCC(CC2)CCCOc3cc4CCN(S(=O)(=O)C)Cc4cc3	262
+c1cc(ccc1Cl)C(=O)c2ccc3N(S(=O)(=O)C)CC(c4cccc(Cl)c4)c3c2	222
+c1cc(ccc1)-c2c(c3ccc(cc3[nH]2)OC)Cc4nc(C(=O)NS(=O)(=O)C)ccc4	741
+O=S(=O)(C)NC1CCCCC1N2C(=O)c3c(C(C(=O)O)C2c4c(cc(cc4)Cl)Cl)cccc3	3
+O=S(=O)(Cc1ccccc1)NC(C2c3ccccc3C(=O)N(C4C(CCCC4)NS(=O)(=O)C)C2c5ccc(cc5Cl)Cl)=O	344
+O=S(=O)(C)NCCc1cc2ccc(cc2cc1)OCCNC(c3ccccc3)=O	93
+O=S(=O)(C)NCCc1cc2c(cc(OCCN)cc2)cc1	51
+O=S(=O)(C)NCCc1ccc2c(ccc(O)c2)c1	5
+O=S(=O)(C)NCc1c(F)cc(C(C)C(O)=O)cc1	3
+O=S(=O)(C)NCc1cc(cc(-c2c(c(N)ccn2)N)c1)F	13
+c1cc(ccc1-c2c(C(=O)O)c3c(o2)cc(c(Br)c3)NS(=O)(=O)C)F	1
+O=S(=O)(Nc1ccc(C=O)cc1F)C	674
+O=S(=O)(C)Nc1cc(ccc1O)C(O)CNCCc2ccc(cc2)OCCOCc3cc(ccc3)C#N	132
+O=S(=O)(C)Nc1c(ccc(c1)N)OC2CCCCC2	0
+O=S(=O)(C)Nc1ccc(cc1OCC2CC2)N	0
+O=S(=O)(C)Nc1c(c(Br)cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)c1)OCc4cccc(c4)N	0
+c1cc(ccc1C2CCN(CC2)C(c3ccc(c(NS(=O)(=O)C)c3)C)=O)CN	107
+O=S(=O)(Nc1c(cccc1)C(O)=O)C	6
+O=S(=O)(C)Nc1ccccc1C(=O)N2CC(C(=O)O)CCC2	3
+O=S(=O)(C)Nc1cccc2n(ccc12)C(CC)(c3ccc(cc3)Cl)CCO	95
+O=S(=O)(Nc1n[nH]c2ccc(NS(=O)(=O)c3cc(F)ccc3)cc12)C	69
+O=S(=O)(C)n1c(cc2c1cc(Br)nc2)-c3cnn(C)c3	4711
+O=S(=O)(Nc1cc(Nc2c(cc(cn2)OCCOC)-c3nc(nc(N)n3)C)cnc1C)C	2097
+O=S1(=O)c2cc(ccc2N=C(C3=C(C4C(CCC4)N(Cc5cc(C)c(cc5)F)C3=O)O)N1)NS(=O)(=O)C	4942
+O=S1(=O)c2cc(ccc2N=C(C=3C(=O)N(C4C(C5CCC4C5)C=3O)Cc6cc(C)c(cc6)F)N1)NS(=O)(=O)C	4942
+c1cc(ccc1F)CN(C(=O)CC2=NS(=O)(=O)c3c(N2)ccc(NS(=O)(=O)C)c3)C4C(C(=O)OC)CCCCCC4	10076
+c1cc(ccc1F)CN(C2CCCCC2C(OC)=O)C(=O)CC3=Nc4c(S(=O)(=O)N3)cc(cc4)NS(=O)(=O)C	10
+O=S(=O)(C)Nc1cc(c(C(NO)=N)cc1)Cl	181
+O(C(=O)CCc1c(cc(OCCC(Oc2c(cc(cc2)CC)Oc3c(cccc3)C)C)cc1)CC)CC	624
+[N-]=[N+]=NC(C)C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O	298
+C1COCCC1C(N=[N+]=[N-])C	298
+[N-]=[N+]=NC(CC)CCCCCC	298
+[N-]=[N+]=NC1CCc2c(c(ccc2)NC(C)=O)C1	298
+N(=[N+]=[N-])CC(c1c(F)cnc(Br)c1)(O)C	133
+c1c(c(ccc1O)O)C(OCC(C)CC)=O	10077
+O=C1c2c(C(=O)N1CC(F)(F)CCOCc3ccccc3)cccc2	896
+c1c2c(CCc3ccccc3C2CC(O)CN=[N+]=[N-])sc1	133
+c1ncn(c1)CC(c2ccc(c(c2)Cl)Cl)CCOC3OCCCC3	1193
+O=C1c2c(C(=O)N1CC3(CCOCC3)F)cccc2	896
+CC(OC1CC2C(C(CCC2(C)C1=C)C3(C)C(COC(=O)C)CC(OC(=O)C)CC3)CN=[N+]=[N-])=O	133
+[N-]=[N+]=NCC1OC(=O)N(c2ccc(N3CC(N(CC3)CCOC)=O)c(F)c2)C1	133
+[N-]=[N+]=NCC1OC(=O)N(c2ccc(N3CC(N(CC3)C)=O)c(F)c2)C1	133
+[N-]=[N+]=NCC1OC(=O)N(c2cc3c(cc2)c(C)no3)C1	133
+N1CC(CN=[N+]=[N-])c2c1cccc2	133
+N(=[N+]=[N-])CC1NC(c2c(C1)cccc2)=O	133
+[N-]=[N+]=NCC1Oc2c(Cl)cccc2C1	133
+[N-]=[N+]=NCC1Oc2c3ccc(O)nc3c(C)cc2C1	133
+C(COc1ccc(c([N+]([O-])=O)c1)C)C	262
+O=S(=O)(C)OCCCCc1cc2c(cc1)c(ns2)-c3ccc(cc3)Cl	213
+FC(F)=C(CCOC(c1cnc(SC)nc1C)=O)C	1986
+FC(F)=C(C)CCOC(c1cnc(OCCCC)cc1)=O	1986
+c1ccc2C(=O)N(C(c2c1)=O)CCC3CCCN(c4ccc(cc34)Cl)C(c5cnc(cc5)NC(c6ccccc6Cl)=O)=O	896
+[N-]=[N+]=NCCCC1NC(c2[nH]c3c(cc(OC)cc3)c2C1)=O	133
+c1cc(ccc1NCCCCCCCCCCCOc2ccccc2)C(OCC)=O	2127
+O=S(=O)(CCCOc1ccc([N+]([O-])=O)c(OC)c1)C	262
+c1ccccc1COc2ccc(cc2)CCCNc3ccc(cc3)C(OCC)=O	2127
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCN(C)C(=O)OCC	123
+c1ccccc1NCCn2c3ncnc(N)c3c(-c4cc(cc(F)c4)OC)n2	2827
+c1cc(ccc1C(OCC)=O)NCCOc2c3c(ccc2)cccc3	2127
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)C=O	262
+c1cc(ccc1OCCc2ccc(cn2)C(C)OCOC)C=O	885
+c1ccc(cc1CCn2c(cc(C)n2)[N+]([O-])=O)C=3C=CC(=O)N(Cc4cc(C(=O)OC)ccc4)N=3	1593
+COc1cc2c(cc1)cccc2C=C	10078
+c1cc(ccc1CN(C)CCc2cnn(c2)-c3nccc(C#N)c3)F	123
+c1cc(ccc1C=O)OCCn2ccc3ccccc23	262
+C1CN(CCN1Cc2cc(ccc2OCc3ccccc3)C=O)c4ccccc4	2141
+[N-]=[N+]=NCc1ccc(c(c1)F)C#N	2289
+c12cc(OC)c(OC)cc1n(cn2)Cc3ccc4nc(sc4c3)Br	10079
+CC1(C)OC(C)(C)OC1c2nc(sn2)Nc3c(cc(Sc4ncccc4)cn3)Oc5c(C)nn(C)c5C	10080
+O=S(=O)(C)OCCc1coc2cc(Oc3sc4ccccc4n3)ccc12	710
+CC(C)(NS(=O)(=O)C)CNc1c(cnc2c1ccc(OCc3ccccc3)c2)[N+]([O-])=O	2804
+O=S(=O)(Oc1c(cc(OC)c(c1)[N+]([O-])=O)C)C	297
+O=S(=O)(Oc1cc(c(F)cc1Cl)-n2nc(c([N+](=O)[O-])c2C)C)C	1733
+O=S(=O)(C)Oc1cc(c(cc1Cl)F)N	0
+O=S(=O)(Oc1cc(c(cc1Cl)F)NN)C	427
+c1cc(ccc1CCOc2ccc(cc2)OS(=O)(=O)C)CC(C(OCC)=O)OCC	20
+O=S(=O)(C)Oc1cccc(c1)C2(NC(N(C)C2=O)=N)c3ccc(F)c(-c4c(F)ncc(Cl)c4)c3	305
+O=S(=O)(c1c(CO)ccc(Br)c1)C	88
+O=S(=O)(C)c1c(c(C(N2CCN(CC2)c3ccc(S(=O)(=O)C)cc3F)=O)c(F)cc1)F	30
+c1cc(ccc1N2CCN(CC2)C(=O)c3c(ccc(S(=O)(=O)C)c3F)F)C#N	30
+c1cc(ccn1)-c2cccc(c2-c3ccc(cc3)OCc4ccc5ccccc5n4)S(=O)(=O)C	412
+O=S(=O)(C)c1ccc(cc1-n2cncc2)-c3c(nc(N)s3)C	1176
+O=S(=O)(C)c1c2c(c(F)c(F)c1)[nH]c3c2ncc(Br)c3	10081
+O=S(=O)(C)c1ccc(F)cc1NC(c2c(OC)c(C)cc(F)c2)C	60
+O=S(=O)(C)c1c(NC(c2cc(Cl)cc(OC)c2OC)C)cc(F)cc1	60
+O=S(=O)(c1ccccc1-c2c(C(=O)OC)cc3ncc(F)cc3n2)C	10082
+O=S(=O)(C)c1cccc(c1)C2CCCNC2	1446
+O=S(=O)(C)c1cc(Cl)c(Oc2c(ccc(CC(O)=O)c2)Cl)cc1	3
+O=S(=O)(N(CC(C)C)Cc1ccc(o1)-c2cccc(c2)S(=O)(=O)C)c3c(cccc3)Cl	1242
+O=S(=O)(NCc1sc(cc1)-c2cccc(S(=O)(=O)C)c2)c3cccc(Cl)c3	268
+O=S(=O)(C)c1cc(ccc1)-c2nn3c(ncc3I)s2	4944
+O=S(=O)(C)c1c(-c2nocc2)c(c(cc1)C(=O)O)C	1
+c1cc(ccc1)CC2CC(c3c(ccc(c3Cl)C(=O)OC)S(=O)(=O)C)=NO2	1820
+O=S(=O)(C)c1cc(F)c(cc1)C(Nc2ccc(cc2F)Br)=S	3120
+O=S(=O)(c1c(cc(cc1)NN)F)C	427
+O=S(=O)(C)c1ccc(NC(=O)c2cc(Cl)ccc2)c(n1)N3CCC(CC3)CC(=O)O	3
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C(O)=O)[nH]3)c2)OC)cn1	1
+O=S(=O)(C)c1ccc(Oc2cc(c3[nH]c(cc3c2)C(=S)N)OC)cn1	742
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C=4SC(CC(=O)O)CN=4)[nH]3)c2)CC)cn1	3
+O=S(=O)(C)c1ccc(Oc2cc3cc([nH]c3c(OC)c2)C4=NCC(S4)CC(=O)O)cn1	3
+O=S(=O)(C)c1cc(Cl)c(cc1)CO	41
+c1cc(ccc1CC(Nc2ccc(cc2)-c3ccc4nc(nn4n3)Nc5c(OC)cc(cc5)S(=O)(=O)C)=O)F	490
+c1cc(ccc1NC(C(c2ccc(cc2)F)C)=O)-c3ccn4nc(Nc5c(OC)cc(cc5)S(=O)(=O)C)nc4c3	490
+O=S(=O)(c1ccc(c(c1)CN(CC)C(=O)OCc2ccccc2)O)C	66
+c1ccccc1C(c2ccccc2)CN3CCCN(Cc4ccc(cc4)S(=O)(=O)C)CC3	61
+c1cc(ccc1-n2cnc(C(OC)=O)c2)S(=O)(=O)C	431
+O=S(=O)(C)c1ccc(cc1)Oc2c3cc(oc3cc(C(OCC)=O)c2)CC	46
+c1cc(ccc1S(=O)(=O)C)N=Nc2ccc(cc2)N(C)CCCCCCO	725
+c1cc(ccc1S(=O)(=O)C)N=Cc2cc([N+](=O)[O-])ccc2	457
+O=S(=O)(c1ccc(cc1)NC(=N)c2ccccc2)C	3121
+c1cc(ccc1C)C(=Nc2ccc(cc2)S(=O)(=O)C)N	1748
+O=S(=O)(C)c1ccc(cc1)Nc2c3nccn3c(cn2)Br	1638
+O=S(=O)(C)c1ccc(cc1)Oc2c3c(oc(CC)c3)cc(C(=O)Nc4ncc(C)cc4)c2	650
+O=S(=O)(C)c1ccc(cc1)Oc2c3cc(CC)oc3cc(C(O)=O)c2	6
+O=S(=O)(C)c1ccc(cc1C#N)-c2sc(nc2C)NC(=O)NCCc3ncc(o3)CC	10083
+C1CCCC1ON=C(C(O)=O)c2ccc(S(=O)(=O)C)c(Cl)c2	4
+O=S(=O)(c1ccc(C(CC2CCC(CC2)=O)C(O)=O)cc1Cl)C	4
+O=S(=O)(C)c1ccc(cn1)Oc2cc(C)c3c(cc(C(=S)N)[nH]3)c2	742
+O=S(=O)(C)c1ccc(cn1)Oc2cc(C)c3[nH]c(cc3c2)C(=O)O	6
+O=S(=O)(C)c1ccc(cn1)Oc2cc(OCC)c3c(c2)cc(C(=S)N)[nH]3	742
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c([nH]c(C4=NCC(CC(=O)O)S4)c3)c(c2)C	3
+O=S(=O)(C)c1ccc(cn1)Oc2cc3cc([nH]c3c(c2)CC)C(N)=S	742
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c([nH]c(C(O)=O)c3)c(OCC)c2	1
+O=S(=O)(c1cnc(cc1)OCCC2CC2C3CCN(CC3)C(OCc4ccccc4)=O)C	640
+c1cc(ccc1C(C)CC)NC(c2ccc(cc2N)S(=O)(=O)C)=O	1768
+O=S(=O)(c1cc2c(CCC(CO)O2)cc1)C	44
+O=S(=O)(C)c1ccc2n(CC(O)=O)c(c(Oc3ccc(cc3)Cl)c2c1)C	4
+O=S(=O)(C)c1cccc(NC(=O)Nc2ccc(cc2)Oc3ccnc4cc(O)c(cc34)C#N)c1	16
+O=S(=O)(C)c1cccc(NC(=O)Nc2ccc(cc2)Oc3ccnc4cc(c(cc34)C#N)OCc5ccccc5)c1	446
+c1cc(ccc1Oc2c(C)[nH]c3cc(ccc23)S(=O)(=O)C)F	3122
+c1cc(ccc1N2C(=O)N(CC)c3cccnc23)Oc4n(c5c(n4)CCCC5)C	10084
+Cc1nc(nc(c1C(C)CC)Cl)-n2nccc2	10085
+c1cc(ccc1)Nc2ncc(c(n2)C(=O)OC)Cl	1359
+Nc1nc(cs1)-c2nc(SC)ncc2	10086
+c1ccccc1Oc2nccc(C(OC)=O)n2	2914
+c1cc(ccc1N2c3ncccc3N(C(C)C)C2=O)Oc4n(c5ncccc5n4)C	10087
+c1cc(ccc1-c2c(ncnc2OCCOc3ncc(cn3)OC)NS(=O)(=O)CCC)C	3078
+n1(C)ncc(-c2[nH]c3cc(Br)ncc3c2)c1	2550
+O=S(=O)(c1ccc(F)cc1Cl)C2CC(CO)C(C(=O)NC3(CC3)C#N)C2	1974
+c1cc(ccc1CN(C(=O)CC(C(=O)NS(=O)(=O)C2CC2)=O)OC)F	2623
+O=S(=O)(C1CC1)Nc2c(ccc(C(=O)Nc3cc(F)c(cc3)F)c2)F	67
+O=S(=O)(C1CC1)Nc2c3c(nc(C)c2)sc(c3-c4cccc(OC)c4)-c5c[nH]nc5	10088
+O=S(=O)(NC1=C2OCCN2C(C(C)=C1Nc3c(F)cc(I)cc3)=O)C4CCC4	4945
+C1CNCCC1S(=O)(=O)N	62
+c1ccccc1CNS(=O)(=O)C2CCN(CC2)c3ncc(cc3)N	10089
+O=S(=O)(CC(C)(C(=NO)N)NC(=O)OCc1ccccc1)C	609
+O=S(=O)(CC(C)(N)c1nc(on1)C)C	102
+O=S(=O)(CC)Nc1c(F)c(C(=O)c2c[nH]c3ncncc23)ccc1	80
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4CC5CCC(C4)N5S(=O)(=O)CC	112
+O=S(=O)(N1c2c(F)cc(Br)cc2CC1)CC	1632
+O=S(=O)(CC)N1CC=C(c2nc(c(N)nc2)-c3noc(n3)-c4ccccc4)CC1	990
+c1cc(ccc1C(CC)(CC)c2c[nH]c3c2cccc3NS(=O)(=O)CC)F	1374
+c1cc(ccc1NS(=O)(=O)CC)Cc2c(nc3c(F)ccc(c3c2OC(F)F)OCC(=O)OC)CC	80
+O=S(=O)(N1CCN(CC1)c2ccc(cc2)[N+]([O-])=O)CC	112
+O=S(=O)(Nc1c(c(OC=2C(=C(N(C(C=2)=O)C)Nc3c(cc(I)cc3)F)C(=O)NCc4ccc(cc4)OC)ccc1)C)CC	80
+O=S(=O)(Nc1nc(OCCCCN2CCc3c(cccc3)C2)ccc1)CC	802
+O=S(=O)(CC)NC1CCCOc2c1cccc2	111
+O=S(=O)(N1CC(Nc2nc(-c3cnc4ccc(cn34)C#N)ncc2)CCC1)CC	112
+O=S(=O)(NC1CCCc2c(cncc12)Br)CC	111
+O=S(=O)(N(c1cccc(c1)C=O)Cc2cccnc2)CC	39
+O=S(=O)(CC)N(Cc1cnccc1)c2cccc(c2)CO	98
+O=S(=O)(CC)NC1CCCCC1CO	44
+c1cc(ccc1C)S(=O)(=O)OCC2CCCCC2NS(=O)(=O)CC	36
+c1cc(ccc1CNC(c2cnc3C(N(S(=O)(=O)c4ccc(cc4)C#N)Cc3c2)C(C)C)=O)S(=O)(=O)CC	92
+O=S(=O)(c1cc([N+]([O-])=O)c(C(=O)O)cc1F)CC	31
+O=S(=O)(c1ccc2C(C)(C)CNc2c1)CC	621
+O=S(=O)(CCC(OCC)=O)Cc1ccc(cc1)N	0
+O=S(=O)(Cc1cc(Nc2nc(c(cn2)F)-c3c(cc(c(F)c3)F)F)cc(c1)F)CCC	55
+O=S(=O)(CCC)Cc1cc(F)cc(N)c1	0
+c1cc(ccc1C)-c2c(NS(=O)(=O)CCC)ncnc2Cl	570
+O=S(=O)(N(c1c(F)c(N)c(F)cc1)C)CCC	10090
+O=S(=O)(CCC)NCCOc1ccc2CCNC(c2c1)C3(CCC3)c4nc(ccc4)Cl	1218
+O=S(=O)(CCC)Nc1c(c(c(cc1)F)N)F	4946
+O=S(=O)(CCC)Nc1c(F)c(c(F)cc1)C(c2c3c(ncc(Br)c3)n(C(c4c(cccc4Cl)Cl)=O)c2)=O	10091
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnccc2)F)CCC	660
+O=S(=O)(CCC)Nc1ccc(Cl)c(c1F)C(=O)O	6
+O=S(=O)(Nc1cc(c(cc1)F)C(=O)c2c[nH]c3ncc(cc23)Br)CCC	814
+O=S(=O)(NC)CCCCCO	21
+O=S(=O)(CCCCC)NC(=O)c1ccc(c(N(Cc2ccc(Cl)cc2Cl)C)c1)N	0
+c1cc(ccc1OC)N=Nc2c3c(ccc2O)cccc3NS(=O)(=O)CCCCCCCCCCCCCCCC	725
+c1cc(ccc1CCCCCCCS(=O)(=O)F)O	16
+O=S1(=O)N(c2cc(ccc2)-c3cc4c(CC(NS(=O)(=O)C(C)C)C4)cc3)CCC1	4947
+c12c(CC(C1)C3NC(=O)C(C(CC)CC)N(Cc4ccccc4N5S(=O)(=O)CCC5)C3=O)cccc2	4947
+c1cc(ccc1NS(=O)(=O)CCCCl)[N+](=O)[O-]	80
+O=S(=O)(C1CC1)c2ccc(c(c2)C(O)=O)O	4948
+O=S(=O)(N1CCC(CC1)c2n[nH]c3c(C(=O)N)cc(cc23)-c4cccc(CO)c4)CCCN5CCCC5	11
+CC(C)(CC=O)COS(=O)(=O)CCCNC(C)=O	465
+C1CC(CCN1S(=O)(=O)CCCO)Nc2nc(N)c(cn2)C(=O)c3c(ccc(F)c3F)OC	59
+O=S(=O)(C)CCCOc1ncc(c(c1)C)-c2ccc(F)c(C(O)=O)c2	89
+O=S(=O)(CCCOc1ccc(N)c(OC)c1)C	0
+O=S(=O)(c1ccccc1)CCCc2c(c(nn2CCCC)C#N)-c3c(cccc3)N	800
+O=S(=O)(CCCc1ccc(cc1)O)c2ccc(s2)S(=O)(=O)N	5
+O=S(=O)(CCCl)CCC(NCCS(C=C)=O)=O	10092
+O=S(=O)(NCCOc1ccnc(Oc2c(cc(Cl)c(c2)Cl)I)c1)C=C	4949
+O=S(=O)(NCCOc1ccc2ccccc2c1)C=C	4949
+c1cc(ccc1C=2C3=NS(=O)(=O)CCN3C=CC=2)Oc4cc(c(F)cc4)C	1776
+c1cc(ccc1C=2C3=NS(=O)(=O)CCN3C=CC=2)Oc4cc(c(cc4)C)C	1776
+c1cc(ccc1C=2C3=NS(=O)(=O)CCN3C=CC=2)Oc4c(C)cccc4	1776
+c1cc(ccc1C=2C3=NS(=O)(=O)CCN3C=CC=2)Oc4c(cc(F)cc4)C	1776
+O=S(=O)(CC)CCCn1c(cc2cc(Cl)ccc12)CO	194
+c1cc(ccc1-c2onc3-c4c(CCc23)cc(C(C(=O)NCCS(=O)(=O)C)O)cc4)CCC	9
+O=S(=O)(CCNC(c1ccc(cc1)C=NNc2c3cnn(-c4ccccn4)c3ncn2)=O)C	14
+O=S1(=O)c2c(C(c3ccccc3)NC(CC)(C1)CCCC)cc(c(CCCNCCS(=O)(=O)O)c2)OC	285
+c1ccccc1COC(=O)NCCS(=O)(=O)O	101
+c1c(OC)cc(cc1-c2c(-c3nc(Nc4cnc(OC5CN(CCS(=O)(=O)C)CC5)cc4)ncc3)sc(NCC)n2)OC	949
+c1ccccc1CCS(=O)(=O)Nc2ncnc(OCCOc3ncccn3)c2-c4ccc(cc4)C	482
+O=S(=O)(Cc1ccccc1C2=NNC(O2)=S)N	1770
+c1cc(ccc1S(=O)(=O)C(CCCCOC=C)c2cc(ccc2F)F)Cl	10093
+C1CN(CCN1c2cc(cc(CS(=O)(=O)c3ccc(cc3)F)c2N)Cl)C	0
+O=S(=O)(c1ccccc1)Cc2ccc(Br)c(OC)c2C(=O)O	1
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3cc(CS(=O)(=O)c4cccc5ccccc45)c(N)cc3	0
+O=S(=O)(Cc1cc(OC2CCN(C2)C(OCc3ccccc3)=O)ccc1[N+]([O-])=O)c4c5ccccc5ccc4	66
+O=S(=O)(NCCOCCO)Cc1c(cccc1)N	0
+O=S(=O)(c1c2ccccc2ccc1)Cc3cc(OC4CCN(C(OCc5ccccc5)=O)C4)ccc3N	0
+O=S(=O)(Cc1c(ccc(OC2CNCC2)c1)[N+]([O-])=O)c3c4ccccc4ccc3	25
+O=S(=O)(Cc1cc(OC2CCN(C2)C(OCc3ccccc3)=O)ccc1[N+]([O-])=O)c4c5ccccc5ccc4	1600
+c1ccccc1C(c2ccccc2)Nc3c(C#CCCNS(=O)(=O)Cc4ccc(c(c4)Cl)Cl)cc(cc3)Cl	121
+O=S(=O)(Cc1ccc2N(Cc3c(C(O)=O)[nH]c4C(=O)N(C=C(c34)c2c1)C)c5ccc(cc5)Cl)C	6
+O=S(=O)(c1ccc(NC(C)=O)cc1CS(=O)(=O)CC)Cl	240
+O=S(=O)(c1cccc2c1cccc2)Cc3cccc(c3N)OCCCCl	0
+O=S(=O)(N)Cc1cc(Nc2nc(-c3ccccc3OC)ncn2)ccc1	1582
+c1cc(ccc1-c2sc(cn2)CN(S(=O)(=O)Cc3ccccc3)CC(C)C)NS(=O)(=O)C	1241
+O=S(=O)(NS(=O)(=O)C1CCNCC1)Cc2ccccc2	2659
+c1(nc(nc(OC)c1)NC(=O)NS(=O)(=O)Cc2ccccc2-c3nnc(SC)o3)OC	1777
+CC(C)S(=O)(=O)NC1C(CCC1)c2ccccc2	111
+CC(C)S(=O)(=O)Nc1c(C(=O)OCC)cnn1-c2ccc(cc2)Br	802
+O=S(=O)(NCC(C)Oc1ccc(cc1)Br)C(C)C	111
+c12c(cccc1)CC(C2)NS(=O)(=O)C(C)C	111
+C1CC(CCC1NC(OCc2ccccc2)=O)CNS(=O)(=O)C(C)C	111
+C1CC1(CC=C)S(=O)(=O)Nc2c(c(F)c(cc2)F)Nc3c(cc(I)cc3)F	80
+O=S(=O)(CC#N)NCCCc1ccccc1	111
+O=S1(=O)c2c(cc(C(=O)c3cnn(CC)c3OS(=O)(=O)CCC)c(C)c2C(C(C)(C)C1)=O)C	10094
+O=S(=O)(CCC)Nc1c(c(c(F)cc1)C(c2c[nH]c3ncc(cc23)Br)=O)F	80
+O=S(=O)(CCC)Nc1ccc(F)cc1F	80
+C1CN(CCN1c2nsc3c2cccc3)CCc4ccc(cc4)NS(=O)(=O)CCC	80
+c1ccccc1CC2C(NC(=O)OCC)COc3ccc(N4CC(C4)NS(=O)(=O)CCC)cc23	111
+n1cc(cnc1N2CCC(CC2)C3Cc4cc(C=5CCN(S(=O)(=O)CCC)CC=5)cc(F)c4O3)CCC	990
+O=S(=O)(CCCC)NC(C(=O)NCCc1ccc(c(OC)c1)OCc2cccc3ccccc23)C(C)CC	10095
+c1cc(ccc1-n2nc(cc2CC(C)C)CNS(=O)(=O)Cc3ccc4c(cccc4)c3)F	111
+Clc1cccc(Cl)c1Nc2c(csc2Cl)CC(O)=O	10096
+O=S(=O)(c1cc(C)c(CCOC)s1)Cl	4950
+c1c(c2c(O)c(Cl)cc(C=O)c2cc1)CC	662
+O=S(=O)(c1c(Cc2cc(OC)c(c(c2)OC)OC)sc3ccccc13)Cl	10097
+c1cc(ccc1Cl)-c2nn(C)c(OC(F)F)c2Cl	1188
+c1cc(ccc1F)C(C(C(=O)OC)Cl)=O	3334
+C1CC(CCO1)c2ccc(c(Cl)c2)O	662
+O=S(=O)(c1c(c(cc(c1)F)N2CCCCC2=O)OC)Cl	10098
+c1(nn2c(c1Cl)CCCC2)N	1188
+O=S(=O)(c1sc(c(C)c1)-c2ccc(OC)nc2)Cl	4950
+O=S(=O)(Nc1c(C#N)c(SC)ccc1)N	1630
+O=S(=O)(OCCCCCCCn1c2nc(nc(N)c2nc1Cc3cc4c(cc3I)OCO4)F)N	2419
+c1cc(ccc1)OS(=O)(=O)N	4259
+O=S(=O)(c1sccc1Br)n2cccc2	10099
+c1(ccc(OC)c(c1Cl)Cl)S	3066
+O=S(=O)(c1c(cc(cc1)F)C)Nc2cncc(c2)-c3ccc(c(Cl)c3)C#N	322
+O=S(=O)(c1cc(C)c(cc1[N+](=O)[O-])F)Nc2cccc3cccnc23	322
+O=S(=O)(Nc1cc([N+]([O-])=O)ccc1OC)c2ccc(Br)cc2Cl	69
+O=S(=O)(c1ccc(cc1Cl)Br)Nc2cncc(Br)c2	322
+O=S(=O)(Nc1ccccc1NS(=O)(=O)c2sc3ccccc3c2)c4ccc(cc4OC)[N+]([O-])=O	69
+O=S(=O)(NO)c1cc2c(CCN2C(=O)C)cc1Br	10100
+O=S(=O)(c1c(OC)ccc(Br)c1)Nc2cc(C(OC)=O)cnc2	322
+O=S(=O)(c1c(ccc(c1)Cl)OC)Oc2cc(C)cc(c2)O	681
+c1cc(ccc1)COc2cccc3n(S(=O)(=O)c4c(F)cccc4)ccc23	367
+O=S(=O)(NC(C(OC)=O)Cc1c[nH]c2c1cccc2)c3c(ccc(c3)Br)O	592
+O=S(=O)(c1cc(cnc1)Br)Nc2c(cc(F)cc2)F	4664
+c1cc(ccc1OS(=O)(=O)c2c(cc(c(Cl)c2)Cl)Cl)C=C(C#N)C#N	681
+O=S(=O)(N(c1sc(cn1)Cl)Cc2c(OC)cc(cc2)OC)c3c(F)cc(c(Cl)c3)F	4951
+O=S(=O)(Cl)c1c2c(c(Br)c(c1)CCOC(C)=O)cccc2[N+](=O)[O-]	31
+O=S(=O)(Cl)c1sc(C)c(c1)C(Nc2cc(F)c(cc2)F)=O	1899
+OS(c1ccc(O)c(c1)C(=O)O)=O	10101
+O=S(=O)(c1ccc(c(c1)Cl)Cl)n2c3ncccc3c(CC(OC)=O)c2C	276
+O=S(=O)(c1cc([N+](=O)[O-])c(cc1)NC(=O)OCC)NCc2ccccc2	71
+c1(S)cc(C)c(OCC(=O)OCC)cc1C	3066
+O=S(=O)(c1cc2c(NC(C2)=O)cc1)Nc3cnccc3	322
+O=S(=O)(c1ccc2c(CC(N2)=O)c1)N3c4c(CCC3)cccc4	416
+O=S(=O)(c1cc2c(cc1)cc(Br)cc2)c3ccc(cc3)OC	2290
+Fc1c(F)c(c(F)c(F)c1F)OS(=O)(=O)c2ccc3c(Br)cn(C)c3c2	681
+O=S(=O)(c1sc(C)cc1)Nc2nn(Cc3ccc(OC)c(c3)F)c4cccc(OC)c24	2878
+O=S(=O)(Nc1ncc(cc1)F)c2ccc(F)c(C#N)c2	2165
+O=S(=O)(Nc1cc([N+](=O)[O-])ccc1)c2cc(F)c(cc2)Br	69
+c1cc(ccc1Cl)S(=O)(=O)NCC(O)CN2c3ccccc3CCc4c2cccc4	71
+O=S(=O)(NC(c1cnccc1)Cc2ccc(cc2)CC(OC)=O)c3ccc(cc3)Cl	71
+c1cc(ccc1C(CCCC(O)=O)c2cccnc2)CCNS(=O)(=O)c3ccc(cc3)Cl	71
+c1cc(ccc1)CC(OS(=O)(=O)c2ccc(cc2)Cl)C(=O)OC	10102
+c1cc(ccc1Cl)S(=O)(=O)N2CCCC(Nc3nccc(n3)-c4c(-c5cccc(C#N)c5)nc6sccn46)C2	92
+O=S(=O)(c1ccc(cc1)NC(=O)Nc2cc(C#N)ccc2)NCc3c(c(ccc3F)F)F	71
+O=S(=O)(c1ccc2c(c3cc(ccc3s2)S(=O)(=O)NC)c1)Nc4ccccc4S(=O)(=O)N	69
+O=S(=O)(n1c(-c2ccccc2)cc(C=O)c1)c3cc4c(ncs4)cc3	917
+O=S(=O)(Nc1ccc(c2c(c[nH]c12)C#N)C)c3cccc(c3)C#N	322
+O=S(=O)(Nc1c(cc(cc1)Cl)C(=O)c2ccncc2)c3cc(C#N)ccc3	69
+c1ccccc1COC2=COC(=CC2=O)CNS(=O)(=O)c3cc(C)ccc3	10103
+O=S(=O)(c1cccc(F)c1)n2c3c(c(C=O)c2)cnc(Br)c3	367
+O=S(=O)(NC(c1ccccc1-c2ccc(cc2F)F)C)c3cc(ccc3)OC	71
+O=S(=O)(c1c2c(cccc2)ccc1)n3ncc4ccc(cc34)[N+]([O-])=O	3123
+O=S(=O)(Oc1cc(C)cc(O)c1)c2cccc3cnccc23	681
+O=S(=O)(Nc1cc(ccc1)-c2nn3c(cc2)nc(NC(C)=O)c3)c4cccc5c4ccnc5	69
+O=S(=O)(c1cccc2c1nsn2)Oc3cc(C)cc(O)c3	3854
+O=S(=O)(c1c(cccc1)Cl)N2c3cc(cnc3NCC2)I	4770
+O=S(=O)(c1c(Cl)cccc1)Nc2cccc(c2)OCCc3ccc(cc3)C#N	69
+O=S(=O)(c1ccccc1[N+]([O-])=O)Oc2cc(C)cc(O)c2	681
+O=S(=O)(Nc1c2ncccc2ccc1)c3c([N+](=O)[O-])cccc3	322
+O=S(=O)(c1ccccc1[N+]([O-])=O)N2CCc3ccccc23	416
+O=S(=O)(c1c(cccc1)[N+](=O)[O-])Nc2ccccc2CO	69
+c1cc(ccc1NS(=O)(=O)c2c(cccc2)[N+](=O)[O-])OC	69
+O=S(=O)(N(Cc1cc(Cl)cc(CN(S(=O)(=O)c2cnccc2)CC(C)C)c1)CC(C)C)c3c(c(Cl)cc(Cl)c3)O	1027
+c1ccccc1-c2n(S(=O)(=O)c3cnccc3)cc(C(=O)OC)c2F	1690
+O=S(=O)(n1c(-c2ccccc2)cc(c1)C=O)c3c(nccc3)Cl	1690
+O=S(=O)(Nc1c(cccc1)S(=O)(=O)Nc2ccc(cc2)OC)c3sccc3	1063
+O=S(=O)(Nc1ccc(F)c(c1)[N+](=O)[O-])c2cccs2	1063
+O=S(=O)(n1c2cccc(c2cc1)Br)c3sccc3	10104
+O=S(=O)(c1cccs1)Nc2cccc(-n3c4ccc(C(=O)NCc5cnccc5)cc4nc3)c2	1063
+O=S(=O)(Nc1c2ccccc2c(cc1)O)c3sccc3	1063
+c1ccccc1COC(=O)n2c3cc(c(Cl)cc3nc2-c4cc(c(OC)cc4)NS(=O)(=O)c5cccs5)Cl	1063
+c1ccccc1COCC2CN(CCN2)S(=O)(=O)c3sccc3	1147
+O=S(=O)(c1csc(c1C)C(=O)Nc2ccccc2C(O)=O)Nc3ccc(cc3)I	10105
+O=S(=O)(c1ncccc1)Nc2cc(OCCOC)cc3c2[nH]c(C(=O)OCC)c3	10106
+O=S(=O)(c1ncccc1)Nc2ccc(cc2)CO	10107
+c1cc(ccc1)CSc2cc(C#N)ccc2NS(=O)(=O)c3oc4c(c3)cccc4	2686
+O=S(=O)(c1sc(cc1)Cl)Nc2c3c(cccc3F)n(Cc4cc(C#N)ccc4)n2	2878
+O=S(=O)(F)c1cc(ccc1)N=Nc2cc(C=NO)c(O)c(c2)Cl	135
+C(#N)CCN(CCC#N)c1ccc(cc1)N=Nc2cc(S(=O)(=O)F)c(Cl)cc2	10108
+O=S(=O)(N(C)C)n1ccc(C(OC)=O)n1	4952
+CN(C)S(=O)(=O)n1cc(c(-c2ccccn2)n1)I	4952
+CN(C)S(=O)(=O)n1cnc2c1CCCC2	2752
+O=S(=O)(c1ccccc1O)N(C)C	5
+O=S(=O)(N(C)c1ccc(c2cc([nH]c12)C3=NCC(CCO)S3)C)c4cccs4	21
+O=S(=O)(N(C)c1ccc(c2c1[nH]c(C3=NCC(CC(=O)O)S3)c2)C)c4cccs4	3
+O=S(=O)(N(C)c1cccc2c1[nH]c(c2)C3=NCC(CC(=O)O)S3)c4cccs4	3
+O=S(=O)(c1ccccc1OC)N(c2cccc3c2[nH]c(c3)C(=S)N)C	742
+O=S(=O)(N(C)c1cc(cc(N(C)CCC)n1)C(=O)O)C	1
+O=S(=O)(c1ccc(cc1)Cl)N(C2C(CCCC2)C)Cc3ccc(cc3)C(O)=O	1
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)S(=O)(=O)N(C)C4C(CCC4)C(NO)=O	293
+O=S(=O)(c1cc(cc(CC)c1)Cl)N(c2cc3c4ccccc4n(CC)c3cc2)CC(=O)O	1818
+c1cc(ccc1S(=O)(=O)N(CC)CC)N	0
+c1ccc2c(c3c(cccc3)n2CCCN(CC)S(=O)(=O)c4ccccc4[N+](=O)[O-])c1	935
+O=S(=O)(c1ccccc1[N+](=O)[O-])N(CCC)CCCn2c3c(cccc3)c4c5CCC(=O)c5ccc24	935
+O=S(=O)(N(CC=O)c1c(cc2c(C(NC)=O)n(-c3ccc(C)cn3)nc2c1)C4CC4)C	24
+O=S(=O)(c1c(Cc2c(C)cc(C)cc2)sc3c1cccn3)Nc4onc(C)c4Cl	4953
+c1cc(ccc1)-c2c(cc(cc2)C(OCC)=O)CNCC	1385
+O=S(=O)(c1ccc(cc1)Cl)N(Cc2csc(c2Cl)C(O)=O)C	1
+c1cc(ccc1CN(S(=O)(=O)c2ccc(cc2)O)CC(C)C)Cl	5
+c1cc(ccc1)OC(=O)Nc2c(ccc(c2F)N(C)S(=O)(=O)CCC)F	90
+c1(cc(cc([N+]([O-])=O)c1N)C)NCCO	2252
+O=S(=O)(N(C)c1cccc2cc(C(N)=S)[nH]c12)c3cccs3	742
+O=S(=O)(N(c1c2[nH]c(cc2ccc1)C=3SC(CN=3)CC(=O)Nc4[nH]nnn4)C)c5ccccc5OC	2004
+O=S(=O)(N(c1c2[nH]c(cc2ccc1)C=3SC(CC(=O)O)CN=3)C)c4ccccc4OC	3
+O=S(=O)(c1cccs1)N(c2c3[nH]c(C(NCC(C)(SCc4ccccc4)CCO)=O)cc3ccc2)C	81
+O=S(=O)(N(c1c2c(nccc2)c(O)c(n1)C(=O)NCc3ccc(F)cc3SC)C)c4ncn(C)c4	658
+O=S(=O)(CCC)N(c1c(F)c(c(cc1)F)C(O)=O)C	1
+O=S(=O)(CC)N(Cc1cccnc1)c2cccc(c2)C=Cc3ccccc3	1521
+O=S(=O)(Nc1ccncn1)c2ccc(c(F)c2F)OC3CCCC3c4ccnn4C	10109
+O=S(=O)(c1c(sc2ncccc12)Cc3cc4c(OCO4)cc3C)Nc5c(c(C)no5)Cl	4953
+c1(OC)nc(nc(OC)n1)Oc2cccc(c2C(NS(=O)(=O)C)=O)Cl	10110
+O=S(=O)(NC(=O)c1cc([N+]([O-])=O)ccc1)C	2909
+O=S(=O)(C)NC(=O)c1nc(ccc1)Cc2c(n(S(=O)(=O)c3ccccc3)c4cc(OC)ccc24)-c5ccccc5	3007
+c1cc(ccc1-n2ncc(c2C)C(=O)NC(c3cc(NS(=O)(=O)C)cnc3)CCC)Cl	10111
+O=S(=O)(C)NC(c1ccc2c(c1)C(C)(C)CC(c3cc(ccc3)C(=O)Nc4ccccc4)N2)=O	258
+O=S(=O)(Nc1c(Oc2ccccc2OC)c(Cl)nc(-c3ncccn3)n1)CC	570
+CC(C)(CS(=O)(=O)N)CO	59
+O=S(=O)(Cc1cccc(Nc2ncnc(n2)-c3c(ccc(c3)C=O)OC)c1)N	10112
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCN(C(CC(C)C)=O)C3)C(N)=N1	4954
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCCN3C(NCC)=O)C(N)=N1	4954
+O=S(=O)(N)OCC1C(O)CC(n2ccc3c2ncnc3NC4c5ccccc5CC4)C1	59
+c1cc(ccc1C(=O)c2ccc(c(S(=O)(=O)N)c2)C)OC	222
+O=S(=O)(c1c(c(SCc2ccccc2)cc(C(=O)O)c1)Cl)N	1128
+O=S(=O)(c1c(cccc1I)O)N	5
+O=S(=O)(c1c(cccc1)S(=O)(=O)N)NC(c2ccc(cc2)I)=O	258
+O=S(=O)(c1ccc(cc1CC)C(N)=NO)N	253
+c1cc(ccc1N2C(C(OCC2)C(O)C3=Nc4c(S(=O)(=O)N3)cc(C#N)cc4)=O)C	10113
+O=S(=O)(N)c1cc(c(cc1)Oc2cc(c(SC)cc2)C)C(=O)NCC(C)O	14
+O=S(=O)(c1c(ccc(c1)C)NS(=O)(=O)CCc2ccc(cc2)Br)N	80
+O=S(=O)(NC(Nc1nc(CC)c(Br)s1)=O)c2cc(sc2)C	10114
+O=S(=O)(c1ccc(Oc2c(cc(F)cc2)F)c([N+](=O)[O-])c1)N	46
+O=S(=O)(NC(Nc1cc(cc(NCCF)n1)SC)=O)c2sc(c(c2)C)CCOC	4746
+O=S(=O)(N)c1cc(C(=O)O)c(Oc2ccc(c(C)c2)SC)cc1	1
+c1cc(ccc1CN(C(CC(=O)C(NS(=O)(=O)c2cc(c(OC)cc2)C(NCC3CCCN3CC)=O)=O)=O)OC)F	2623
+O=S(=O)(c1cc(c(OCc2ccc(cc2)OC)cc1)C(O)=O)N	1
+O=S(=O)(N)c1cc(CNCC(C)O)c(Oc2cc(c(SC)cc2)C)cc1	162
+O=S(=O)(N)c1c(c(C)cc(c1)N)OC	0
+c1cnccc1C=Cc2cc(ccc2)Nc3cc(ccc3)S(=O)(=O)N	230
+c1cc(ccc1)S(=O)(=O)n2cc(cc2)C(c3ccc(c(S(=O)(=O)N)c3)Cl)=O	787
+O=S(=O)(N)c1c(ccc(c1)C#N)NC(C(O)C2OCCN(c3ccc(cc3)C)C2=O)=O	33
+O=S(=O)(N)c1ccc2N(CCc2c1)CC3CCCCC3	15
+O=S(=O)(N)c1cc2c(cc1O)OCCC2CNC(N3CC(=C(CC)C3=O)C)=O	5
+O=S(=O)(N)c1c(cc(cc1)C#N)CC	180
+O=S(=O)(N)c1cc(c(cc1)OCc2ccc(cc2)OC)C(OC)=O	657
+O=S(=O)(N)c1cc(c(Oc2cc(c(SC)cc2)C)cc1)C(OC)=O	46
+O=S(=O)(N)c1cc2c(N(Cc3ccc(Cl)c(Cl)c3)CC2)cc1	162
+O=S(=O)(N)c1ccc2N(C(c3ccc(Cl)c(Cl)c3)=O)CCc2c1	448
+O=S(=O)(c1c2c(ccc1)c3nc(O)c(O)nc3cc2)N	10115
+O=S(=O)(c1c(cccc1)S(C)=O)N	2571
+O=S(=O)(Nc1nc(SCc2c(c(F)ccc2)F)nc(OC)c1)c3c(C)nc(s3)N	570
+O=S(=O)(N1C(CC)CN(C(Cc2ccc3ccccc3c2)C(=O)OC)CC1)c4ccccc4[N+](=O)[O-]	15
+O=S(=O)(c1ccc(cc1)C)N2C(CC(=O)NCCc3ccc(cc3)CO)C(NC=C2)=O	9
+O=S(=O)(N1C(C(OCC)=O)CN(CC1)Cc2ccc(cc2)Br)c3ccc(cc3)OCC#CC	131
+C(Cc1cc2c(cccc2)cc1)(C(OC)=O)N3CC(CC)NCC3	1385
+c1cc(ccc1)S(=O)(=O)N2C(CN(CC2)C(OCc3ccccc3)=O)CCC=O	24
+c1cc(ccc1C(=O)OC)C(C)n2cc(CC3N(C=CNC3=O)S(=O)(=O)c4ccc(Cl)c(Cl)c4)nn2	642
+c1cc(ccc1)-c2cc(ccc2)C(C(=O)NC3C(CN(S(=O)(=O)c4ccccn4)C(CC3)C)O)CC(C)C	9
+c1cc(ccc1N)S(=O)(=O)N2CCC(CC2)NC(=O)C=C	0
+C1CN(CCC1c2ccc(cc2)CC(N)C(=O)OC)S(=O)(=O)C	191
+O=S(=O)(Nc1cc(OC)nc(n1)SCc2c(c(F)ccc2)F)N3CCC4(OCCO4)CC3	570
+O=S(=O)(N1CCCc2ccccc12)c3cc(N4C(=O)Nc5c(c(ccc5)C(=O)O)C4=O)c(Cl)cc3	1
+O=S(=O)(N1CCN(CC1)c2ccc(cc2)N)CC	0
+CC1(C)N(N)CCN(C1)S(=O)(=O)C	1651
+O=S(=O)(c1cc(Cl)ccc1OC)N2c3cc(ccc3OCC2)C(O)=O	1
+c1(C)sc(nc1-c2ccc3NCCc3c2)NC(=O)Cc4ccc5OCOc5c4	4955
+c1cc(ccc1C(Nc2ccc3CCCN(c3c2)S(=O)(=O)c4c(OC)ccc(c4)Cl)=O)CC(=O)OC	67
+c1(c([nH]c2c1ccc(c2)F)-c3cnccc3)C#N	4563
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(Cl)c(-n4cccc4C#N)ccc3Cl	2843
+O=S1(=O)NC(Nc2c1cc(cc2)NS(=O)(=O)C)=O	10116
+c1cc(ccc1OC)CSc2scc(C=3CC(N(C(=O)OCC=C)CC=3)COC(N)=O)n2	10117
+c1ccccc1COC(=O)c2cn(C(N)=O)c3ccccc23	10118
+c1c(cc(cc1-n2cccc2C#N)C(=O)OC)COC(C)=O	2843
+c1(nc(nc(OC)n1)NC(NS(=O)(=O)c2cscc2C)=O)OC	1722
+O=S(=O)(NC(=O)c1cccc(N)c1)C	0
+c1(C)cc(cc(C)c1Cn2c3c(cc2C(NS(=O)(=O)c4cc(N)ccc4)=O)ccc(C#N)c3)C	0
+O=S(=O)(c1nc(ccc1)-c2ccc3c(c2)C(=NNc4nc5c(s4)cccc5)CCC3)NC(C)=O	1713
+O(C)c1nc(nc(OC)c1[N+]([O-])=O)NCCS(=O)(=O)NC(C)C	96
+O=S(=O)(NC(C1(CC1)c2ccc(cc2)-c3ccc(cc3)-c4onc(C)c4Nc5cccc(n5)-c6ccccc6)=O)C	3215
+C(C)C(CNc1ccc(C)cc1C)N	10119
+CC(C)Oc1ccc(cc1S(=O)(=O)NC(Cc2c[nH]c3c2cccc3)CO)Br	88
+O=S(=O)(c1ccc(cc1)OC)N2C(c3c(cccc3)-c4ccc(cc24)Cl)C	4956
+O=S(=O)(NC(=O)c1ccc(-c2ccccc2)nc1N3CC(C)CC3(C)C)c4c(nccc4)O	140
+O=S(=O)(c1cccc(OC)c1)N2c3cc(F)ccc3-c4c(cccc4)C2C	4956
+c1cc(ccc1CC(=O)O)CC(NS(=O)(=O)c2ccc(cc2)Cl)c3cnccc3	4
+c1cc(ccc1C)S(=O)(=O)OCCCCCS(=O)(=O)NC	36
+O=S(=O)(NC)CCCCN=[N+]=[N-]	558
+O=S(=O)(NC)CCCCN	18
+O=S1(=O)N(C(c2ccc3c(c2N1)nccc3)c4ccc(cc4C)F)C	10120
+c1cc(ccc1[N+]([O-])=O)Oc2cccc(S(=O)(=O)NC)c2	2026
+O=S(=O)(Cl)c1ccc2c(c3cc(ccc3s2)S(=O)(=O)NC)c1	243
+O=S(=O)(NC)c1cc(Oc2ccccc2)ccc1	304
+CC(C)S(=O)(=O)NC1C(O)(c2ccc(cc2)F)CCC1	1035
+CC(C)S(=O)(=O)NC1C(CCC1)(c2ccc(cc2)Oc3ccccc3)O	1035
+O=S(=O)(Nc1cc2c(cc1)nc(cc2)NCc3c(OC)cccc3)NC4CC4	1630
+C1CN(CCC1NS(=O)(=O)c2ccc(cc2)N)C(=O)OCc3ccccc3	0
+O=S(=O)(NC1Cc2c(cc(cc2)-c3cc(ccc3)N)C1)C(C)C	0
+O=S(=O)(C(C)C)NC1Cc2c(cc(-c3c(nccc3)F)cc2)C1	1617
+O=S(=O)(NC1Cc2ccc(-c3cc(C#N)ccc3)cc2C1)C(C)C	134
+O=S(=O)(NC1Cc2c(C1)cc(cc2)-c3cc([N+]([O-])=O)ccc3)C(C)C	134
+O=S(=O)(NC1Cc2ccc(-c3cccc(CN)c3)cc2C1)C(C)C	107
+O=S(=O)(c1ccccc1Cl)NCC2=CC(=O)C(O)=C(C(O)=O)N2C	4957
+c1ccccc1COC2=C(C=O)OC(=CC2=O)CNS(=O)(=O)c3cc(C)ccc3	3124
+c1cc(ccc1)S(=O)(=O)C(C2=CC(C(OCc3ccccc3)=C(C(=O)O)N2C)=O)NS(=O)(=O)c4cc(C)ccc4	10121
+O=S(=O)(NCCCC(N)=S)C	199
+O=S(=O)(NCCCCCC(Nc1ccccc1)=O)C	33
+O=S(=O)(c1cccc(N)c1)NCCN(C)C	0
+O=S(=O)(NCCOC)Nc1c(Oc2c(ccc(OC)c2)Cl)c(Cl)ncn1	570
+O=S(=O)(Nc1c(c(OCCO)ncn1)Oc2c(ccc(OC)c2)Cl)NCCOC	145
+O=S(=O)(c1cc(C(=NO)N)ccc1O)NCCc2c(OCC(=O)O)cc(cc2)-c3ccccc3S(=O)(=O)C	253
+O=S(=O)(c1cc(ccc1OC)C#N)NCCc2c(O)cc(-c3c(cccc3)S(=O)(=O)C)cc2	241
+O=S(=O)(NCCc1c(OCC(=O)O)cc(cc1)-c2ccccc2S(=O)(=O)C)c3cc(C#N)ccc3O	3
+O=S(=O)(NCCc1c(cc(cc1)-c2ccccc2S(=O)(=O)C)OCC(=O)OCC)c3cc(C#N)ccc3O	5
+CC(C)c1ccc(c(c1)OCC(=O)OCC)CCNS(=O)(=O)c2c(O)ccc(C#N)c2	5
+O=S(=O)(NCCc1ccc(C(C)C)cc1OCC(=O)O)c2c(OC)ccc(C#N)c2	3
+O=S(=O)(NCc1cnccc1)c2cc(C=CC(O)=O)ccc2	127
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)NO	2291
+c1cc(ccc1)CN(Cc2sc(cc2)-c3cccc(S(=O)(=O)C)c3)S(=O)(=O)c4cc(ccc4)Cl	692
+O=S(=O)(c1c(c(Cl)ccc1)Cl)Nc2c(nc(Br)cn2)OCc3cnccc3	1335
+c1cc(ccc1C)S(=O)(=O)Nc2ccc(cc2C)Oc3cc(C(=O)O)c(cc3)NS(=O)(=O)c4ccc(cc4)C	1
+O=S(=O)(Nc1ccc(Cl)cc1C(O)=O)c2cccc3nsnc23	1
+O=S(=O)(c1cc(OC)c(cc1)OC)Nc2c(C(c3c(Cl)cccc3)O)cc(Cl)cc2	488
+O=S(=O)(C)Nc1c(Oc2c(cccc2)Cl)cccc1CC(=O)O	3
+O=S(=O)(CCC)Nc1c(Cl)c(c(cc1)Cl)N	4946
+O=S(=O)(c1ccccc1)Nc2cc(-c3c(CC(OC)=O)c4c(cccc4)[nH]3)ccc2Cl	2155
+c1cc(ccc1-c2c(NS(=O)(=O)c3ccccc3Cl)nccn2)CO	696
+O=S(=O)(Nc1ccc(c(c1F)C(c2c[nH]c3ncc(cc23)-c4ccc(C(NCC)=O)nc4)O)F)CCC	1235
+O=S(=O)(c1c(F)ccc(c1)F)Nc2cccc(c2F)CO	98
+n1cccnc1-c2nc(c(c(NS(=O)(=O)CC)n2)Oc3ccccc3OC)OCCO	145
+O=S(=O)(Nc1cccc(OC=2C(=C(Nc3c(cc(I)cc3)F)N(C(=O)C=2)C)C(N)=O)c1C)CC	10122
+n1cc(cnc1OCCOc2ncnc(NS(=O)(=O)NCCOC)c2Oc3cc(OC)ccc3Cl)Br	482
+C(C)N(CC)CC=Cc1cc(ccc1S(=O)(=O)Nc2ccc3c(c2C(O)=O)cc4CCCn34)F	1
+CC(C)NCCOc1c(NS(=O)(=O)C)cc(cc1)N	0
+O=S(=O)(C1CC1)Nc2c(ccc(c2)C(=O)O)F	1
+O=S(=O)(Nc1c2c(ccc1)cccc2)c3cccc(C=CC(NO)=O)c3	2291
+c1cc(ccc1F)S(=O)(=O)Nc2c3c(nc(NC4c5c(CC4)cccc5)cc3)ccc2	554
+O=S1(=O)Nc2c(-c3c1cc(cc3)C)ccc4c2nccc4	1763
+O=S(=O)(Nc1c2ncccc2ccc1)c3c(cccc3)N	0
+O=S1(=O)c2ccccc2-c3c(c4c(cc3)cccn4)N1	1763
+O=S(=O)(c1ccccc1)Nc2c(ncc(-c3ccc4c(c3)N(Cc5ccccc5)C(CO4)=O)c2)Cl	1806
+O=S(=O)(c1cc(OC)c(OC)cc1)Nc2cc(ccc2Cl)C(C)O	4247
+O=S(=O)(CCC)Nc1cc(c(cc1)F)C=O	39
+c1(F)cc(cc(F)c1)NS(=O)(=O)c2cnc(c(C#N)c2)Cl	1014
+O=S(=O)(C)Nc1cc(Nc2oc(cn2)-c3ccc(C#N)c(F)c3)ccc1	4149
+O=S(=O)(Nc1cccc(c1)Oc2c(C#N)c(cc(F)c2)F)N(C)C	46
+O=S(=O)(Nc1cc(OC)nc(n1)SCc2c(c(F)ccc2)F)N3CCC(CC3)=O	97
+O=S(=O)(Nc1cccc(Oc2cc(F)cc(Nc3c(F)cc(cc3)I)c2C(N)=O)c1)N(C)C	216
+O=S(=O)(c1ccc(Br)cc1Cl)Nc2cc(N)ccc2OC	0
+O=S(=O)(Nc1cc(C=O)ccc1Cl)c2cc(OC)c(OC)cc2	39
+c1cc(ccc1)-c2c(c3c(NS(=O)(=O)c4cc(ccc4)Cl)cc(nc3s2)C)-c5cc(OC)ccc5	268
+O=S(=O)(Nc1cc2c(CC(=O)O)c[nH]c2cc1)C	4
+O=S(=O)(c1cc(c(Cl)s1)-c2cccc(OC)c2F)Nc3ccc(C(O)=O)c(c3)O	1074
+O=S(=O)(c1cccc2nsnc12)Nc3c(C(=O)NCC(c4cc(Cl)c(cc4)Cl)C)cc(Cl)cc3	14
+O=S(=O)(Nc1ccc(-c2c(ccc(CC(=O)O)c2)OC)c(CN(C(=O)OCc3ccccc3)CC)c1)C	3
+O=S(=O)(c1cc(c(Cl)s1)-c2c(O)ccc(F)c2)Nc3cc(c(cc3)C(O)=O)O	1
+O=S(=O)(Nc1ccc(c(O)c1)C(=O)OC)c2cc(c(Cl)s2)-c3c(O)ccc(F)c3	1074
+O=S(=O)(Nc1cc(CO)c(cc1)F)CCC	98
+O=S(=O)(Nc1c(c(C(c2c[nH]c3c2cc(cn3)-c4ccc(C(NCC)=O)nc4)=O)c(cc1)F)F)CCC	814
+O=S(=O)(c1c(cc(cc1)O)CC(NCC)=O)Nc2ccc3COB(c3c2)O	5
+O=S(=O)(Nc1ccc2COB(c2c1)O)c3ccc(cc3CC(=O)O)OC	3
+O=S(=O)(Nc1ccc2c(c1C(O)=O)CCCC2)c3ccccc3N	0
+O=S(=O)(Nc1cccc(C(O)=O)c1)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3	6
+O=S(=O)(Nc1cc(Oc2c(C#N)c(cc(F)c2)Nc3c(F)cc(cc3)I)ccc1)N(C)C	275
+O=S(=O)(c1ncccc1)Nc2cccc3cc(n(COC)c23)C(=O)NCC(SCc4ccccc4)C(OC)OC	81
+O=S(=O)(Nc1ccccc1Oc2ccc(Cl)cc2Cl)c3ccc(cc3)C(=O)NCC(O)=O	3
+O=S(=O)(Nc1cncc(Cl)c1O)c2cc(c(nc2)OC)C#N	10123
+O=S(=O)(C)Nc1c2cc(ccc2n[nH]1)N	0
+c1cc(ccc1)-c2cc(S(=O)(=O)Nc3ncc(Cl)cc3OC)cnc2	89
+c1cc(ccc1)C2CCN(C2)c3c4ccc(S(=O)(=O)Nc5nccs5)cc4ccn3	43
+O=S(=O)(C)OC1C(CCCC1)Nc2nc3c(s2)cc(Cn4cnc5c4nccc5)cc3	3728
+O=S(=O)(C(CCN=[N+]=[N-])C(=O)O)O	4
+O=S(=O)(c1cc(c(cc1)OC)CCC(=O)OCCS(=O)(=O)c2ccc(cc2)C)Cl	243
+O=S(=O)(c1ccc(F)c([N+]([O-])=O)c1)Cl	240
+O=S(=O)(Cl)c1cc([nH]c1)C(=O)c2c(nccc2)Cl	4958
+O=S(=O)(Cl)c1c(c(cc(c1)[N+]([O-])=O)C)F	240
+c1(Cl)c(F)c(c(c(Cl)c1F)F)S(=O)(=O)Cl	240
+O=S(=O)(Cl)c1cc(C(N)=O)c(NC(C)=O)s1	2508
+O=S(=O)(c1cc(Oc2c(cc(cc2Cl)CC3C(=O)NC(=O)S3)Cl)ccc1OC)Cl	243
+O=S(=O)(Cl)c1ccc(Br)cc1C	243
+O=S(=O)(c1ccc(cc1CCC)Br)Cl	243
+O=S(=O)(O)c1ccc(OC)cc1OC	10124
+O=S(=O)(Cl)c1cc(c(F)cc1)C(O)=O	240
+O=S(=O)(Cl)c1csc(c1C)C(O)=O	10125
+O=S(=O)(c1cc(c(C)s1)C(=O)O)Cl	2206
+O=S(=O)(c1ccc(Cl)c2c1CCN(C(C)=O)C2)Cl	243
+O=S(=O)(Cl)c1c(cc2CCN(C(=O)C)c2c1)Br	243
+O=S(=O)(c1cc(cc(Br)c1F)C(=O)O)Cl	240
+c1(cc(cc(C)c1S(=O)(=O)Cl)OC)C	243
+O=S(=O)(Cl)c1c2ccncc2cc(Br)c1	240
+O=S(=O)(c1ccc2CC(NC(=O)C)Cc2c1)Cl	243
+O=S(=O)(Cl)c1ccc2c(c1)CCN(C(C)=O)CC2	240
+c1cc(ccc1-c2cnc(C)o2)S(=O)(=O)Cl	240
+c1cc(ccc1-n2ccnc2)S(=O)(=O)Cl	240
+c1cc(ccc1CCCCCCCCCCCCCCCCCC)S(=O)(=O)Cl	243
+O=S(=O)(c1ccc(cc1)N2C(=O)C(N3CCc4c3ccc(F)c4Cl)CC2)Cl	240
+c1cc(ccc1S(=O)(=O)Cl)NC(OCC)=O	243
+O=S(=O)(c1c(CCC)ccc(c1)S(=O)(=O)c2ccccc2)Cl	240
+O=S(=O)(c1cc(-c2sc(nc2C)NC(=O)NCC)ccc1OC)Cl	243
+O=S(=O)(Cl)c1cc(Br)ccc1O	243
+O=S(=O)(c1cc([N+]([O-])=O)ccc1Br)Cl	243
+O=S(=O)(c1sc(CNC(=O)c2ccc(cc2)Cl)cc1)Cl	2508
+O=S(=O)(c1c(C)ccc(C(O)=O)c1)Cl	243
+O=S(=O)(Cl)c1c(ccc(CC(OC)=O)c1)C	240
+O=S(=O)(c1c2c(n(c1)S(=O)(=O)c3ccc(cc3)C)ccc(c2)F)Cl	10126
+O=S(=O)(Cl)c1c(SC)ccc(C2CC(O)=C(C(=O)CC)C(=O)C2)c1	243
+O=S(=O)(Cl)c1cc(ccc1Cl)CC	243
+O=S(=O)(c1ccc(cc1)Cc2ccc(cc2)[N+]([O-])=O)Cl	240
+O=S(=O)(Cl)c1c(ccc(c1)C(O)=O)Cl	243
+O=S(=O)(c1c(OC)ccc(F)c1)Cl	243
+O=S(=O)(c1c(F)ccc(c1)[N+](=O)[O-])Cl	243
+c1cc(ccc1N2CCCC2)-c3ccc(cc3)S(=O)(=O)Cl	243
+O=S(=O)(c1cc(C(OC)=O)n(C)c1)Cl	4958
+O=S(=O)(c1c(N)ncc(Br)c1)Cl	10127
+O=S(=O)(c1cc(C)c(cc1)OCC(=O)OCC)Cl	240
+O=S(=O)(Cl)c1cc(c(cc1)O)-c2nc(O)c3n(C)nc(c3n2)CCC	240
+c1cc(ccc1C(CF)C)S(=O)(=O)Cl	243
+c1cc(ccc1S(=O)(=O)Cl)C2(CCOCC2)C	243
+c1cc(ccc1S(=O)(=O)Cl)CC(O)=O	243
+c1cc(ccc1CCCF)S(=O)(=O)Cl	243
+c1cc(ccc1CNC(=O)c2ccc3n(ccn3)c2)S(=O)(=O)Cl	240
+c1(F)cc(cc(F)c1Oc2ccc(cc2)S(=O)(=O)Cl)C=C(C)C(OCC)=O	243
+O=S(=O)(Cl)c1c(Br)ccs1	2206
+C(O)(c1c2c(ccc1OC)cc(-c3cc(ccc3)OC)cc2)=O	1775
+C(c1c(Cl)nc2c(CCCC2)c1Cl)(O)=O	3070
+c1c(Br)c(cc(C)c1F)C(=O)O	1775
+c1(ccc(OC)c2c1cc(C)o2)C(=O)O	1775
+c1ccccc1COC(=O)c2ccc(c(F)c2)C(=O)O	1775
+c1cc(ccc1F)CNC(=O)c2c(O)c(c(nc2)C(O)=O)OCc3ccccc3	10128
+c1cc(ccc1)CN2CC(CCCC2)NC(=O)N3CCC4N(S(=O)(=O)O)C(C34)=O	10129
+OC(C(=O)N)CC(C([N+](=O)[O-])C)CC	1004
+S(c1cc(Oc2c(nccc2)CC)c(nc1)C(N)=O)c3ccccn3	862
+O=C(N)c1cnn2cc(cc2c1Cl)Br	1869
+c1(ccc2c(c(ccc2)Cc3c(cc(C(=O)OC)cc3)OC)c1)C(=O)O	10130
+c1(c(c(Cl)ncc1)C(=O)N)C	4831
+c1(c(ccc(c1I)C)C(=O)O)F	3125
+c1(ccc(Cl)nc1C(=O)N)[N+]([O-])=O	862
+c1(cccc(I)c1F)C(=O)O	3125
+O=S(=O)(O)c1cc2c(cc1)N(C)CCC2	3126
+c1(cc(OC)c([N+]([O-])=O)c(c1)F)C(=O)O	3125
+O=S(=O)(O)c1c2c(ccc1OC)c(Cl)ncc2	3126
+c1ccccc1-n2cc(C(=O)N)c(N)n2	4959
+c1ccccc1C(c2ccccc2)(CCC(C)(C)N(C)Cc3ccccc3)C(N)=O	1004
+C1CC(CCN1Cc2ccccc2)(Nc3cc(C)ccc3)C(=O)N	1004
+c1cc(ccc1-c2nc3ccc(cn3c2)I)C=O	3243
+c1cc(ccc1C2(c3ccc(cc3)F)CCC(CC2)N4CCC(CC4)(C(N)=O)Nc5ccccc5)F	1004
+c1cc(ccc1F)C(C(=O)N)N	2006
+c1cc(ccc1-c2oc(c(C(OCC)=O)c2)C)O	10131
+c1cc(ccc1N2C(C(=CC=C2CC)C(O)=O)=O)F	10132
+C1CN(CCC1(Nc2ccc(cc2)F)C(N)=O)C(=O)OCC	2006
+c1cc(ccc1OC)-n2ncc(C(N)=O)c2N	4959
+O=S(=O)(c1ccc(c(c1)N)N)O	3126
+c1ccccc1C(c2ncccc2)C(=O)N	2006
+c1ccccc1CN(CCC(c2ccccc2Cl)(CCN3CCCCC3)C(N)=O)C(C)C	1004
+n1c(c(c(s1)N)C(=O)N)-c2cc([N+]([O-])=O)ccc2	1856
+c1cc(ccc1Oc2cc(cnc2C(N)=O)Sc3ncccn3)F	862
+O=S(=O)(c1c(cc(c(c1)[N+](=O)[O-])OC)OC)O	31
+c1cc(ccc1)C(=O)Nc2ccc(S(=O)(=O)O)c3ccccc23	50
+O=S(=O)(c1ccc(cc1)Oc2ncc(Br)s2)O	4960
+c1cc(ccc1S(=O)(=O)O)OCC#Cc2ccc(cc2)Cl	476
+[N-]=[N+]=NC(C)CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C	298
+Oc1c(C(C(OC)=O)=NOC)cccc1	4910
+c1(c(OC)c(Br)cc(Br)n1)C(=O)OC	10133
+c1(ccccc1CC(c2sccc2C)N(C=O)C)OC	297
+N#Cc1ccc(SC)c(C#N)c1C	10134
+O(C)c1c(I)c(C)c(Cl)cc1C(=O)C	297
+c1(ccc(nc1N)OC)Br	10135
+c1cc(C(=O)OC)c2cc(C)oc2c1OC	3127
+N1=NN(c2cccc(OCC)c2C)C(=O)N1C	3091
+c1(ccccc1Cl)Oc2ccc(OC)c(C=O)c2	297
+c12c(Nc3cccc(SC)c3S1)cc(OC)cc2	297
+O=C1C=Cc2cc(-c3cnccc3)ccc2N1C	10136
+COc1cc2c(cc1)n(cc2CC(OC)=O)C	10137
+c1c(C)c(c(cc1)C)OC	297
+c1c(cc([N+]([O-])=O)c(C(=O)OC)c1)Br	3127
+c1c(OC)cc2OCCOc2c1	297
+c1cc(N)cc2c1ccc(OC)c2	297
+c1cc(ccc1)C(c2c(cn(C)c2C)NC(CCl)=O)=O	10138
+c1cc(ccc1)CNC(=O)C(COC)NC(=O)OCC	1541
+COc1ccc(c(c1)O)-c2nnc(cc2)Cl	297
+O(C)c1ccc(F)c2c1cccc2	297
+c1ccccc1COc2c(C)c(OC)c(cc2)C=O	297
+c1n(C)ncc1[N+]([O-])=O	4961
+C12C(C3(CCC(CC3CC1O)OCCO)C)CC(O)C4(C)C2CCC4C(C)CCC(OC)=O	10139
+c1cc(ccc1COC(=O)N2CCC(N=[N+]=[N-])C2)[N+]([O-])=O	298
+C1C(CN1C(c2nnc(-c3ccc(cc3)OC)o2)=O)Oc4c(cc(C=O)cc4)Cl	624
+C1N(CC1SC(=O)C)c2scc(C(=O)NC3CN(CC3)C(=O)OCc4ccc(cc4)[N+]([O-])=O)n2	2128
+C1CC(CCC1)CCCCCCCCCCCCOCC(COCCOCCO)OC	967
+c1ncn(CC(c2ccc(c(c2)Cl)Cl)CC=C)c1	1193
+c1(C)c(ccc(OCC)c1)[N+]([O-])=O	4962
+O(c1ccc(Cl)c(C)c1C(=O)c2c(C)cc(OC)c(OCC)c2OC)C	4962
+[N-]=[N+]=NCC1C(O)c2c(O1)c(Cl)cc(c2)Br	133
+c12cccc(OCC3CO3)c1nc(C)s2	10140
+c1cc(ccc1COc2c(cc(c(OCC3OC3)c2)C(=O)NC)Cl)OC	2598
+N(=[N+]=[N-])CC1CCOC1	133
+N(=[N+]=[N-])CC1OC(N2C=C(I)C(N)=NC2=O)CC1O	254
+[N-]=[N+]=NCC1ON=C(c2ccc(Br)cn2)C1	133
+C(C1CCc2cc(cc(-c3ccccc3Cl)c2O1)F)N=[N+]=[N-]	254
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O	133
+c1ccccc1COCCOCCOCCOCCOCCOCCOCCCCCC(OCC)=O	967
+c1nc2c(c(Nc3cc(c(Cl)cc3Cl)OC)c1C#N)cc4cc(c(OCCCCl)cc4c2)OC	267
+N1C(=O)C(=C(c2cn(CCCSC)c3ccccc23)C1=O)c4cn(C)c5ccccc45	786
+c1cc(ccc1)CNCCN2C(Cl)=CNC(=NCCc3ccccn3)C2=O	10141
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(OCCN=[N+]=[N-])CC2COc4c(F)ccc(F)c34	133
+C(COCCN=[N+]=[N-])OCCO	133
+c1c(cc(OCCOCCOCCOCCN=[N+]=[N-])c(OC)c1OC)C=O	885
+c1cc(ccc1COCCOCCOCCN=[N+]=[N-])OC	133
+c1ccccc1Oc2ccc(F)cc2NCc3c(OCCOS(=O)(=O)C)ccc(c3)OC	208
+N#Cc1cc(F)c(cc1F)CN=[N+]=[N-]	2289
+O=S(=O)(c1cc2c(cn(c2cc1)N)C)C	10142
+Oc1c(cccc1)NC(c2c3c([nH]cc3)ccc2)=O	4963
+c1cc(ccc1C)S(=O)(=O)Oc2c(OC)ccc(CO)c2	41
+c1(c([N+]([O-])=O)cc(c(C)c1)O)OC	3128
+Clc1cc(F)c(cc1O)-n2c(c(C)c(n2)C)C	3128
+O=S(=O)(Oc1cc(C)cc(OCCC=O)c1)c2cccc3nsnc23	24
+c1(n(nc(C)c1[N+](=O)[O-])-c2cc(c(Cl)cc2F)O)C	3128
+O=S(=O)(C)Oc1c(Cl)cc(F)c(c1)[N+](=O)[O-]	31
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CC(OCCCCCC)C(=O)OC	20
+O=S(=O)(Oc1ccc(cc1)OCCCc2ccc(cc2)OCc3ccccc3C(=O)O)C	1
+O=S(=O)(Oc1ccc(cc1)OCCc2ccc(cc2)OCc3ccccc3C(=O)O)C	1
+c1cc(ccc1C)S(=O)(=O)Oc2cc([N+]([O-])=O)c(cc2C(C)C)OC	77
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(C(OC)=O)c3c(c4ccnn4cc3)cc2	69
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(C(=O)OC)c3ncc4c(cco4)c3cc2	69
+C1CC(CCC1O)Oc2nc(nc3[nH]ncc23)-c4ccc(cc4)NS(=O)(=O)c5c(ccc(C)c5)C#N	69
+O=S(=O)(c1n(ncc1C(N=[N+]=[N-])=O)C)N	2279
+C1COCCN1S(=O)(=O)c2c(C(N)=O)[nH]c3c2ccc(Br)c3	10143
+c1(nc(nc(OC)c1)N(c2ccccc2)C(NS(=O)(=O)c3cc(ccc3C(OC)=O)CCNC(=O)OC)=O)OC	10144
+O=S(=O)(N(COCCOC)c1onc(c1Cl)C)c2c3c(sc2Cc4ccc(C)cc4C)nccc3	1429
+c1cc(ccc1S(=O)(=O)OCC2COc3c(cc(S(=O)(=O)C)cc3O2)F)C	1293
+O=S(=O)(n1c2c(cc1)c(Br)ccc2)c3c(C)cccc3	367
+c1cc(ccc1OCCOS(=O)(=O)c2ccc(cc2)C)CC3SC(=O)NC3=O	1293
+O=S(=O)(N)c1sc(nc1C)N	1176
+O=S(=O)(c1c(C)nc(N(C)C(Cc2ccc(cc2)-c3cc(F)ccc3F)=O)s1)N	10145
+O=S(=O)(c1cc(S(=O)(=O)c2ccccc2)ccc1CCC)NCCc3ccccn3	71
+c1ccccc1S(=O)(=O)c2cc(c(CCC)cc2)S(=O)(=O)NCCc3ccccc3	71
+O=S(=O)(c1c(CNC(C2CCN(CC)C2)=O)cc(cc1)F)Nc3c(c4OCC5CC5c4cc3)C(O)=O	1
+c1ccccc1NC(=O)OC(CN(C(NC(C)C)=O)CCCCNS(=O)(=O)c2c(Cl)cc(cc2)Cl)COC	589
+O=S(=O)(c1c(ccc(N)c1O)Cl)N	0
+O=S(=O)(N(c1ccncn1)Cc2ccc(cc2OC)OC)c3c(F)c(c(cc3)F)F	2023
+O=S(=O)(C)c1c(cc(cc1)CC(=O)C)F	4964
+O=S(=O)(Nc1cccc(c1F)C=O)c2c(F)ccc(c2)F	39
+c1ccccc1CN(Cc2ccccc2)C(COC(=O)N3CCC(CC3)Nc4ccccc4S(=O)(=O)c5ccccc5)C	231
+O=S(=O)(N1c2cc(N)ccc2CCC1)c3c(OC)ccc(c3)Cl	0
+O=S(=O)(c1c(OC)cccc1)Oc2cc(C)cc(OCCC=O)c2	24
+O=S(=O)(c1ccc(C)cc1N)Nc2cc(OC)cc3cccnc23	0
+O=S(=O)(Nc1c2ncccc2ccc1)c3c(N)ccc(C)c3	0
+O=S(=O)(Oc1cc(OCCC=O)cc(C)c1)c2c([N+]([O-])=O)cccc2	24
+O=S(=O)(c1c(C=O)c(Cl)c(cc1)C(O)=O)C	1
+O=S(=O)(C)c1ccc(C(=O)OC)c(Cl)c1C=NO	135
+O=S(=O)(Nc1c(Br)nc(Br)cn1)c2cccc(c2Cl)Cl	3513
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3cnc4n(c3N)ncc4C(OCC)=O	69
+c1ccccc1CS(=O)(=O)c2cc(C(O)=O)cc(S(=O)(=O)N)c2Cl	902
+O=S(=O)(c1c(-c2ccccc2)c(N)cc(c1)C(=O)O)N	0
+O=S(=O)(C)c1c(c(ccc1)-c2ccncc2)-c3ccc(cc3)O	16
+O=S(=O)(c1cc(F)c(cc1F)F)N(Cc2c(OC)cc(OC)cc2)c3ncncc3	2023
+O=S(=O)(c1ccc(NC(=O)CNc2ccccc2)cc1Cl)N	1391
+O=S(=O)(O)c1cc(c(cc1OC)OC)N	0
+O=S(=O)(c1ccc(cc1Cl)Cl)Nc2cc(Cl)c(c(c2)Cl)Oc3cc4c(ccc(C(OC)=O)c4)nc3	69
+O=S(=O)(C)c1ccc(N)cc1F	0
+c1cc(ccc1)COC(COc2cc(C)c(c(c2)C)S(=O)(=O)Cl)=O	204
+O=S(=O)(C)c1c(COC)ccc(Br)c1	49
+O=S(=O)(NC(COC)Cc1c2c(cccc2)[nH]c1)c3cc(ccc3OC(C)C)Br	21
+c1ccccc1COC2CCCN(S(=O)(=O)c3c(ccc(C(=O)OC)c3)Br)CC2	149
+O=S(=O)(c1c([N+]([O-])=O)ccc(C)c1)Nc2c3c(ccc2)cccn3	322
+O=S(=O)(c1c(ccc(Cl)c1)F)Nc2ccc(cc2)-c3nc4[nH]ncc4c(n3)OC5CCC(CC5)O	1002
+O=S(=O)(N)c1cc(ccc1OCC(=O)N2CC(C)N(CC2C)Cc3ccc(cc3)F)Cl	648
+O=S(=O)(c1c(ccc(Cl)c1)O)N	5
+c1ccccc1COC2CCCCC2NC(Nc3c(c(S(=O)(=O)N)c(Cl)cc3)O)=O	406
+O=S(=O)(c1c(O)c(ccc1Cl)N)NCC	0
+O=S(=O)(Oc1cc(O)cc(C)c1)c2c(OC)cccc2	992
+c1cc(ccc1S(=O)(=O)c2c(cccc2)Br)C=O	39
+C1CCCN1CCOc2ccc(cc2)N(Cc3cccc(OC4OCCCC4)c3)S(=O)(=O)c5c(C#N)cccc5	416
+O=S(=O)(c1ccccc1Cc2c(n(c3ccc(F)cc23)CC(OC)=O)C)O	1919
+c1cc(ccc1-n2c(nc3c2nc(cc3C)C)CC)CCNC(=O)NS(=O)(=O)c4c(cccc4)Cl	10146
+c1ccc2c(c1)C(=O)N(C2=O)CC(Cc3ccccc3)N(Cc4c(cccc4)C(=O)O)S(=O)(=O)c5c(cccc5)OC	1
+O=S(=O)(Nc1c(C=O)cccc1)c2ccccc2[N+](=O)[O-]	39
+C(=C)CONC1C=C(C)C(NC1)C(=O)N	2862
+O=S(=O)(N=C=O)c1cscc1C	4361
+O=S(=O)(c1cc(sc1Cl)Cl)NC(C)COc2cccc3cnccc23	10147
+O=S(=O)(Nc1c(cc(NCCCCCC)cc1)OC)c2c(C(OC)=O)scc2	4869
+O=S(=O)(c1ccsc1C(OC)=O)N(C)CC(O)c2ccc(cc2)F	10148
+C1CN(CCO1)S(=O)(=O)c2c([nH]c3c2cccc3N)C(=O)N	13
+O=S(=O)(c1cccc2c3NC(C(Nc3cc([N+]([O-])=O)c12)=O)=O)N	10149
+O=S(=O)(c1c2c(cccc2)ccc1)n3ncc4c3cc(cc4)N	0
+O=S(=O)(N)c1n(nc2cccc(OCCF)c12)C	10150
+O=S(=O)(Cc1cc(ccc1[N+]([O-])=O)OC2CN(Cc3ccccc3)CC2)c4c5ccccc5ccc4	1177
+O=S(=O)(Cc1cc(F)ccc1[N+]([O-])=O)c2cccc3c2cccc3	1177
+c1ccccc1COC(N2CCC(C2)Oc3cc4c([nH]nc4S(=O)(=O)c5cccc6ccccc56)cc3)=O	1025
+O=S(=O)(N(c1onc(C)c1Cl)COCCOC)c2c3cccnc3sc2Cc4cc5OCOc5cc4C	1429
+O=S(=O)(c1cc(-c2c(c3c([nH]2)cccc3)CC(=O)O)ccc1Cl)Cc4cc(Cl)ccc4	4
+O=S(=O)(c1cc(c(cc1)Oc2c(cccc2CO)C)Br)CC	41
+O=S(=O)(CCC)c1cc(OCCCCCCc2cccc(OCCCC(OCC)=O)c2CCC(OCC)=O)cc(Br)c1	8
+O=S(=O)(c1cc(ccc1OC)C#N)Cl	274
+O=S(=O)(c1ccc(c(c1)C(O)=O)SC)C	411
+O=S(=O)(n1c2ccccc2cc1)c3cc(c(cc3)Br)C(O)=O	367
+O=S(=O)(c1cc([N+]([O-])=O)cc(c1)C(=O)O)C	31
+O=S(=O)(Nc1c2ncccc2ccc1)c3c(N)cc(F)c(c3)C	0
+O=S(=O)(Nc1ccccc1OC)c2cc(C=CC(O)=O)ccc2	127
+c1cc(ccc1F)CC(C(OC)=O)c2cc(ccc2)S(=O)(=O)C	3546
+O=S(=O)(c1c2c(cccc2[N+](=O)[O-])c(c(CCO)c1)Br)N	59
+c1cc(ccc1)CNS(=O)(=O)c2cccc(c2)C=O	39
+c1cc(ccc1C#N)NC(c2ccc3c(N(S(=O)(=O)c4c(OC)ccc(Cl)c4)CCO3)c2)=O	67
+c1cc(ccc1C(OCC)=O)NC(c2ccc3c(N(S(=O)(=O)c4c(OC)ccc(Cl)c4)CCO3)c2)=O	67
+c12c(cccc1)C(=O)N(C2=O)OCCCOc3cc(OS(=O)(=O)c4cc(Cl)ccc4OC)cc(C)c3	1395
+O=S(=O)(Nc1ccc(C(=O)OCCOCCO)c(O)c1)c2cc(Cl)sc2Cl	47
+O=S(=O)(C)c1ccc(C(Nc2ccc(cc2F)Br)=O)c(F)c1	50
+O=S(=O)(c1ccc(c(c1)F)F)n2c(cc(c2)C=O)-c3ccccn3	917
+c1cc(ccc1OC)Cn2nc(-c3cc(ccc3)NS(=O)(=O)c4cc(ccc4F)F)c(-c5ccnc(N)n5)c2	69
+O=S(=O)(c1cc(ccc1F)F)Nc2ccc(c(c2F)-c3nn(cc3-c4ccncc4)CC)F	69
+O=S(=O)(c1cc(N2C(Nc3c(c(C#N)sc3)C2=O)=O)ccc1)N4c5ccccc5CCC4	4965
+O=S(=O)(N1c2ccccc2CCC1)c3cc(ccc3)N4C(=O)Nc5csc(c5C4=O)-c6nnn[nH]6	10151
+O=S(=O)(c1cc(OC)c(cc1)OC)Nc2c(Cl)ccc(c2)C(C)=O	155
+CC(C)(c1ccc(Cl)c(NS(=O)(=O)c2cc(OC)c(cc2)OC)c1)O	3129
+c1cc(ccc1)CNS(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2	3564
+O=S(=O)(c1cc(c([N+]([O-])=O)cc1)N)C	10152
+O=S(=O)(c1cc(cc(Cl)c1)[N+]([O-])=O)NC	1030
+O=S(=O)(c1cc(cc(C(O)=O)c1)N)C	0
+O=S(=O)(C)c1cc(O)c(c(F)c1)CO	49
+c1cc(ccc1)N(C)S(=O)(=O)c2cc(c(Cl)cc2)[N+](=O)[O-]	416
+O=S(=O)(c1cc(c2c(c1)[nH]cn2)Br)c3cc(C(OC)=O)sc3SC	631
+O=S(=O)(c1ccc(c(N)c1)N)C	0
+O=S(=O)(c1cc(c(O)c(c1)N)Br)CC	0
+O=S(=O)(c1cc(c(C(O)=O)c(c1)F)O)C	1
+O=S(=O)(c1cc(c(Cl)cc1)C)Nc2c(C(c3c(cccc3C)OC)=O)ncc(Cl)c2	2258
+O=S(=O)(c1cc(c(Cn2c3c(cccn3)c(CC(=O)O)c2C)cc1)Cl)C	4
+O=S(=O)(c1ccc(NC(CNc2ccccc2)=O)c(C)c1)N	1391
+C1CC(CCN1)N2CCC(Nc3c(cc(S(=O)(=O)C)cc3)F)C2=O	62
+O=S(=O)(c1cc(c(Oc2cc(ccc2CCc3nnn[nH]3)Cl)cc1)Cl)C	1104
+O=S(=O)(c1cc(c2ncn(c2c1)-c3ccccc3)Br)c4cc(C(OC)=O)sc4SC	2846
+O=S(=O)(c1cc(cc(c1)Cl)N)NC	0
+O=S(=O)(c1cc(Br)cc(c1)OCCCCCCc2cccc(OCCCC(OCC)=O)c2CCC(OCC)=O)C	8
+O=S(=O)(c1cc(Br)cc(c1)O)CCC	5
+O=S(=O)(c1cc(CO)ccc1)NCc2ccccc2	49
+O=S(=O)(Cc1c(c(c(-c2ccoc2)cc1)OC)C(=O)OC)c3cc(ccc3)OC	10153
+c1cc(ccc1-n2c(C)c(-c3ccccc3)c(C)n2)CCNC(=O)NS(=O)(=O)c4cccc(OC)c4	1777
+c1cc(ccc1)C(NC(c2cc(ccc2)NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)CC(OCC)=O)=O	69
+c1ccccc1C(C(=O)NC(CC(=O)OCC)c2cc(ccc2)NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)CC	69
+O=S(=O)(c1cc(ccc1Cl)-c2c(c3cccc(Cl)c3[nH]2)CC(=O)OC)NC4CCCCC4	2155
+O=S(=O)(c1cc(-c2c(CC(OC)=O)c3ccccc3[nH]2)ccc1Cl)Cc4cc(Cl)ccc4	2155
+O=S(=O)(c1cc(-c2[nH]c3c(Cl)cccc3c2CC(O)=O)ccc1Cl)NC4CCCCC4	4
+O=S(=O)(F)c1cc(ccc1Cl)N	0
+O=S(=O)(c1cc(ccc1F)N)NC2CC2	0
+c1cc(ccc1)-c2nc(cc(c2)S(=O)(=O)c3ccc(cc3)N)N4CCCC4	119
+c1cc(ccc1)C#Cc2nc(N3CCCC3)cc(S(=O)(=O)c4ccc(cc4)N)c2	943
+O=S(=O)(C)c1ccc2N=C(N(C(c2c1)=O)C)C(N3CCN(CC3)S(=O)(=O)c4ccc(cc4)OC)C	10154
+O=S(=O)(c1ccc2NC(C(C)(C)Cc2c1)c3cccc([N+](=O)[O-])c3)C	414
+O=S(=O)(c1cc2C(CCc2cc1)O)C	74
+O=S(=O)(c1ccc2c(C=CC2)c1)C	1358
+O=S(=O)(c1cc2CCCC(c2cc1)C#N)c3ccccc3	4966
+O=S(=O)(c1cc2CCCC(c2cc1)CN)c3ccccc3	51
+O=S(=O)(c1ccccc1)c2cc3c(cc2)C(CCC3)CN=C(N)N	4967
+O=S(=O)(C)c1cc2OC(COS(=O)(=O)c3ccc(cc3)C)CCc2cc1	36
+c1cc(ccc1Cc2c3ccc(cc3[nH]c2C)S(=O)(=O)C)Br	1919
+O=S(=O)(c1ccccc1)c2ccc3C(O)CCCc3c2	74
+c1cc(ccc1S(=O)(=O)c2cc3c(cc2)cc(Br)cc3)O	5
+c1cc(ccc1S(=O)(=O)c2c3ccc(S(=O)(=O)C)cc3ccc2OC)F	2290
+O=S(=O)(c1sc2c(c1)cc(CO)cc2)N	59
+O=S(=O)(c1ccc2ncnc(Nc3cc(ccc3)C#C)c2c1)n4cc(cc4)C=CC(=O)OCC	2212
+c1cccn1-c2cc(C(=O)NC(=O)Nc3sc4cc(S(=O)(=O)C)ccc4n3)c(cc2)Cl	10155
+O=S(=O)(c1ccc(-c2sc(nc2C)NC(=O)NCCc3ncc(o3)CC)cc1F)C	10156
+O=S(=O)(C)c1c(cc(-c2c(nc(s2)NC(C)=O)C)cc1)-n3cncc3	431
+O=S(=O)(c1ccc(-c2oc(C)cc2)c(F)c1)Nc3cc(ccc3)N	0
+C1C(C)NC(CN1c2ccc(OC)c(NS(=O)(=O)c3ccc(-c4ccc(C)o4)cc3Cl)c2)C	1752
+O=S(=O)(c1ccc(s1)C(O)=O)N2CCN(C(c3ccccc3)=O)CC2C	6
+C1CC(CCC1CC(c2cc(c(S(=O)(=O)C)cc2)Cl)C(Nc3cnccn3)=O)=O	1018
+O=S(=O)(c1ccc(C(=O)O)c(c1C=2CCON=2)C)C	1
+O=S(=O)(C)c1ccc(C(O)=O)c(C)c1OCCOC	1
+C(C)C(CC)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)O	684
+C1CN(CCC1OC2=CC(=O)N(C=C2)c3c(cc(S(=O)(=O)C)cc3)C)c4ncc(cn4)CCC	4181
+CC(C)(c1sc(nn1)NC(c2cc(ccc2F)S(=O)(=O)NCC)=O)c3ccccc3	900
+O=S(=O)(C1CC(C(NC2(CC2)C#N)=O)C(C1)COc3ccncc3)c4ccc(F)cc4Cl	1175
+OB(O)c1ccc(CCOC(Nc2cccc(C#N)c2)=O)c(c1)C	4968
+OB(O)c1ccc(CCOC(Nc2cccc(C#N)c2)=O)c(CC)c1	4968
+O=S(=O)(c1ccc(Oc2c(F)cc(cc2)F)c(N)c1)N	0
+c1cc(ccc1)C(COc2c(C(=O)c3ccc(S(=O)(=O)C)c(C4=NOCC4)c3C)cnn2CC)=O	10157
+O=S(=O)(c1ccc(c(Cl)c1)Cl)n2c(c(c3c2nccc3)C(C(=O)O)C)C	4
+c1cc(ccc1NCC(=O)Nc2c(Cl)cc(S(=O)(=O)N)cc2)Cl	1391
+O=S(=O)(C)c1ccc(C(O)=O)c(c1C2=NOC(C2)C)Cl	1
+O=S(=O)(c1c(c(F)c(F)cc1)F)C2CC2	4948
+c1cc(ccc1-c2nc3c(cc(S(=O)(=O)C)cc3)[nH]2)Br	10158
+O=S(=O)(Oc1c(-c2ccccc2)cc(cc1)C(=O)c3c(Cl)cccc3)c4cc(O)c(cc4)C(O)=O	1163
+c1ccccc1S(=O)(=O)c2ccc(c(N)c2)O	0
+O=S(=O)(c1cc(c(cc1)Cn2c(C)c(c3c2nccc3)CC(=O)OC)Cl)C	1836
+c1cc(ccc1OC)-c2c(nc3cc(ccc3n2)S(=O)(=O)O)-c4ccc(cc4)OC	3113
+c1cc(ccc1F)C(c2ccc(cc2)F)CCN(C3CC3)C(Nc4nc(-c5ccc(cc5)S(=O)(=O)N)c(Cl)s4)=O	2704
+O=S(=O)(c1ccc(cc1)-n2c3ncccc3c(C(O)=O)c2)C	1
+c1cc(ccc1Br)S(=O)(=O)NCCCCOc2ccc(cc2)-n3cnnn3	71
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)c3ccncc3)Cl)Br	69
+O=S(=O)(c1ccc(cc1)C(C=Cc2cc(-c3[nH]c4ccccc4c3)c(OC)cc2OC)=O)NCC(=O)O	2292
+O=S(=O)(c1ccc(cc1)C(CN(Cc2c(C)c3c(s2)C(=O)C(C(NCc4ccc(cc4)Cl)=O)=CN3C)C)O)N	822
+O=S(=O)(N1C=CNC(=O)C1Cc2cn(nn2)C3c4c(CCC3)cc(C=O)cc4)c5ccc(cc5)C	642
+c1cc(ccc1C)S(=O)(=O)NC2CCCC2(N)C	18
+O=S(=O)(c1ccc(cc1)C)OC(Cc2nn3c(nc4c(c3n2)cccc4OC)N)C	4184
+N1(CCc2c(nc(o2)C)C1)C(Cc3nn4c(c5cccc(OC)c5nc4N)n3)C	2687
+O=S(=O)(c1ccc(cc1)C)OC=2C=3C(N(C4CC4)C(N(c5cccc(N)c5)C=3N(C)C(C=2)=O)=O)=O	0
+FC(F)(F)C1(COS(=O)(=O)c2ccc(cc2)C)OC1	10159
+C(C)(=O)CC(C(O)CN=[N+]=[N-])O	254
+C1CC(CCC1)(C)COc2ccc(cc2)C	450
+c1c(C)c(c(cc1OCC2CN(C)c3ccccc3O2)C)Br	267
+c1cc2c(noc2cc1F)-c3cc(ccc3)OCC4CO4	450
+O=S1(=O)CC(CC1)COc2c3ccn(-c4nc(ncc4)SCCC)c3ccc2	267
+[N-]=[N+]=NCC1COc2cccc(c2N1)OC	254
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CC4OC(N(Cc5ccc(cc5)F)C4)=O	236
+[N-]=[N+]=NCC1OCN(C1)c2ccc3C(N4C(=Nc3c2)C(c5cc(ccc45)F)=O)=O	254
+CC(C)=CCCC(=CCCC(C)=CCCCOCC(C(CO)O)O)C	10160
+c1cc(ccc1CSCCn2ccnn2)OCC=C	10161
+c1cnccc1-c2cn(c3nc(Cl)nc(c23)Nc4ccc(cc4)F)S(=O)(=O)c5ccc(cc5)C	2997
+c1cnccc1-c2c3c(NC4CC4)nc(nc3n(c2)S(=O)(=O)c5ccc(cc5)C)Cl	2997
+O=S(=O)(c1ccc(cc1)C)n2c3c(cc2)n4c(cn3)nnc4C5C(CC(Nc6sc(C#N)cn6)C5)CC	4843
+n1c(NC2CC(C(CC)C2)c3nnc4cnc5[nH]ccc5n34)sc(c1)C#N	4969
+O=S(=O)(c1ccc(cc1)C)n2c3c(cc2)n4c(C5CC(N)CC5CC)nnc4cn3	524
+c1ccccc1-c2cc3c(nc2)[nH]cc3-c4ccc(cc4)C(O)=O	392
+O=S(=O)(c1ccc(cc1)C)n2c3c(c(c2)I)c(nc(Cl)n3)Nc4ccc(cc4)F	1665
+O=S(=O)(n1c2nc(Cl)nc(c2c(I)c1)NCc3ccccc3)c4ccc(cc4)C	974
+O=S(=O)(n1c2c(cc1)c(Br)cnc2O)c3ccc(cc3)C	3107
+c1cc(ccc1)C(c2ccccc2)CCN3CCC(CC3)N(C)C(Cc4ccc(cc4)S(=O)(=O)F)=O	10
+c1ccccc1C(c2cc(Br)ccc2C(=O)N(CC(CCC)O)Cc3ccc(cc3)S(=O)(=O)C)=O	30
+O=S(=O)(c1ccc(cc1)Cc2ccc(cc2)N)N(C)C	0
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCN	18
+c1cc(ccc1CN(C(CC)c2ccccc2)S(=O)(=O)c3ccc(cc3)Cl)C(OC)=O	692
+O=S(=O)(N(C1C(CCCC1)C)Cc2ccc(cc2)C(=O)OC)c3ccc(cc3)Cl	692
+c1cc(ccc1S(=O)(=O)N(Cc2ccc(cc2)-c3ncon3)C4CCCCCC4CO)Cl	692
+c1cc(ccc1S(=O)(=O)c2ccc(cc2)F)N	0
+c1cc(ccc1S(=O)(=O)c2ccccc2CO)F	41
+O=S(=O)(c1ccc(cc1)N2c3c(-n4c(C)nnc4C(C)C2)ccc(c3)Br)C	2335
+c1cc(ccc1S(=O)(=O)F)N=Nc2ccc(c(Cl)c2)O	725
+c1cc(ccc1S(=O)(=O)N2CCC(C)(C)CC2)NC(c3ccc([N+](=O)[O-])o3)=O	1129
+O=S(=O)(CC)c1cc(c(cc1)O)[N+](=O)[O-]	31
+C(C)N(CC)CC=Cc1cc(ccc1S(=O)(=O)Nc2c(C(=O)O)c3ccn4c(c3cc2)ccn4)F	1
+O=S(=O)(c1ccc(cc1CC2CCN(CC2)CC)F)Nc3c(c4OCC5CC5c4cc3)C(O)=O	1
+O=S(=O)(N=[N+]=[N-])c1c(cc(cc1)Br)CCC	10162
+O=S(=O)(c1ccc(cc1Cl)Cl)Nc2cc(Cl)c(c(c2)Cl)Oc3cnc4ccc(cc4c3)C(=O)O	1
+c1cc(ccc1F)-n2c3C=C4C(Cc3cn2)(COCC)CN(CC4)S(=O)(=O)c5ccc(Cl)nc5	1027
+O=S(=O)(N1CC2(C(=O)c3ccccn3)C(=Cc4c(cnn4-c5ccc(cc5)F)C2)CC1)c6ccc(Cl)nc6	1027
+O=S(=O)(c1ccc(s1)-c2cc(c(O)nc2C)CC)NCC(O)c3ccccc3	1427
+c1cc(ccc1)N2CCN(CC2)S(=O)(=O)c3sc(cc3)-c4cc(c(O)nc4C)CC	1147
+O=S(=O)(c1ccc2c(c1)CC(C)(C)C(c3cccc(N)c3)N2)C	0
+O=S(=O)(N)c1ccc2NCCc2c1	621
+c1cc(ccn1)N2CCC(CC2)C(=O)NN3CCN(S(=O)(=O)c4cc5c(cc(Cl)cc5)cc4)CC3=O	1038
+Fc1c(F)c(c(F)c(F)c1F)OS(=O)(=O)c2ccc3c(nccc3c2)Cl	681
+c1cc(ccc1-n2c(nc3c(cc(C)nc23)C)CC)CCNC(=O)NS(=O)(=O)c4cc5c(cccc5)cc4	1777
+O=S(=O)(c1cc2sc(nc2cc1)NC(=O)Oc3ccc(cc3)F)C	810
+O=S(=O)(c1ccc2ncnc(Nc3cc(ccc3)C#C)c2c1)n4cc(C=CC(=O)NO)cc4	792
+O=S(=O)(c1ccc2ncnc(Nc3cc(ccc3)C#C)c2c1)n4ccc(C=CC(=O)O)c4	108
+O=S(=O)(c1cccc(-c2c3c(c(C(=O)N)nc2)[nH]c4c3cc(cn4)C)c1)CC	1198
+O=S(=O)(c1cc(ccc1)C(O)=O)NCc2ccccc2	71
+O=S(=O)(Nc1ccc2c(cccc2)c1)c3cc(ccc3)C=CC(NO)=O	2291
+O=S(=O)(c1cccc(c1)C=CC(=O)O)Nc2ccc3c(cccc3)c2	127
+O=S(=O)(Nc1c2c(ccc1)cccc2)c3cc(C=CC(O)=O)ccc3	127
+CN(C)c1cccc(c1)-c2c(C)sc3nc(cc(NS(=O)(=O)c4cc(ccc4)Cl)c23)C	10163
+O=S(=O)(c1cc2c(cc1)C(=O)CCC2)c3ccccc3	992
+CN(C)CCNS(=O)(=O)c1cc(Nc2cc(nc3c2cccc3)C)ccc1	179
+O=S(=O)(c1cccc(O)c1)N2C(c3ccccc3-c4c2cc(F)cc4)C	5
+[N+](c1cc2c(c(C)c1)nccc2)([O-])=O	4865
+O=S(=O)(c1cc(ccc1)-c2cc(OCC)ccc2)Nc3cc(c(cc3)C(O)=O)O	11
+O=S(=O)(c1cccc(C=CC(=O)OC)c1)Nc2ccc3c(cccc3)c2	69
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)OC	71
+O=S(=O)(c1cc(C=CC(OC)=O)ccc1)Nc2ccccc2OC	69
+O=S(=O)(Nc1cc(nc2sc(c(c12)-c3cc(OC)ccc3)Br)C)c4cc(ccc4)Cl	69
+O=S(=O)(c1cccc(Cl)c1)Nc2c3c(nc(C)c2)sc(C)c3Br	69
+O=S(=O)(Nc1cncc(c1)-c2sc(cc2)-c3cc4c(cc3)C(N(C)C4)=O)c5cccc(Cl)c5	322
+O=S(=O)(c1cccc2c1cccc2)c3n[nH]c4c(OCCCCl)cccc34	1025
+O=S(=O)(c1cccc2c3NC(=O)C(=O)Nc3cc(N)c12)N	0
+O=S(=O)(c1cccc2ccccc12)c3n[nH]c4ccc(OCCCN)cc34	18
+c1cc(ccc1)CCN2CCC(C2)Oc3ccc4[nH]nc(S(=O)(=O)c5cccc6ccccc56)c4c3	61
+c12c(cccc1)C(=O)N(C2=O)OCCCOc3cc(C)cc(c3)OS(=O)(=O)c4cccc5cnccc45	10164
+O=S(=O)(NCC1=CC(C(=C(C(=O)O)N1C)OCc2ccccc2)=O)c3ccccc3Cl	10165
+O=S(=O)(c1ccccc1)Cc2c(ccc(c2)OCCOS(=O)(=O)c3ccc(cc3)C)[N+](=O)[O-]	36
+c1ccccc1S(=O)(=O)Cc2cc(ccc2N)OCCOS(=O)(=O)c3ccc(cc3)C	0
+c1cc(ccc1)S(=O)(=O)Cc2c(C(=O)OCC)c(c(cc2)Br)O	5
+O=S(=O)(Cc1c(c(c(Br)cc1)OC)C(OC)=O)c2ccccc2	10166
+c1cc(ccc1OC)-c2ccc3c(F)c(OC)ccc3c2	4408
+c1cc(ccc1-c2c(C(=O)O)c3cc(Br)c(cc3o2)N(C)S(=O)(=O)c4ccccc4)F	1
+c1ccccc1S(=O)(=O)NC2CNc3c(C2)cccc3	15
+c1cc(ccc1)S(=O)(=O)NCC=2OC(CO)=C(OCc3ccccc3)C(C=2)=O	3130
+c1ccccc1-c2cc(C(=O)OCC)c(NS(=O)(=O)c3ccccc3)s2	10167
+O=S(=O)(c1ccccc1)Nc2cc(ccc2Cl)-c3[nH]c4ccccc4c3CC(=O)O	4
+c1ccccc1S(=O)(=O)Nc2ccc(c(N)c2)NCC3CCCCC3	0
+O=S(=O)(c1ccc(c([N+]([O-])=O)c1)O)c2ccccc2	31
+O=S(=O)(c1ccccc1)c2ccc3c(c2)OCCN3	15
+c1cc(ccc1)S(=O)(=O)c2cc3NCCOc3cc2	15
+c1cnc(o1)-c2[nH]c3ccc(Cl)nc3c2	3131
+c12[nH]c(C)cc1cc(cn2)OC	1017
+O=S(=O)(c1ccccc1)n2c(c(c3cc(Br)cnc23)C(OC)=O)CN(CC#N)S(=O)(=O)c4ccc(cc4)C	10168
+c1ccccc1S(=O)(=O)n2c3cnc(c(O)c3c4c2ncc(Br)c4)C#N	10169
+O=S(=O)(c1ccccc1)n2c(cc(c2)C=O)Br	200
+c1cc(ccc1)S(=O)(=O)n2cc(-c3ccc(c(c3)OC)OC)c4ccccc24	550
+c1c(cc2c(c1)[nH]c3CCN(c4c(ccnc4)C)C(=O)c23)F	741
+c1cc(ccc1N)C(N2CC(Nc3nc(c(C#N)cn3)-c4c5ccccc5[nH]c4)CC2)=O	741
+O=S(=O)(n1c2c(c3c1ccc(C=C[N+]([O-])=O)c3)cc(cn2)Cl)c4ccccc4	417
+C1CC(CCN1CC(F)F)Oc2c3c4c([nH]c3cnc2C#N)nccc4	10170
+c1ccccc1S(=O)(=O)n2c3c(ccc(F)c3)c(-c4ccc(nc4)Cl)c2	10171
+c1cc(ccc1)S(=O)(=O)n2cc(cc2)CC[N+]([O-])=O	3068
+C1CC1CN(CC(Nc2ccc(cc2F)-c3c(S(=O)(=O)C)cccc3)=O)C(Nc4ccc(cc4)Cl)=O	10172
+O=S(=O)(c1ccccc1C)NC(c2ccc(Cc3c4c(ccc(c4)C(OC)=O)n(C)c3)c(OC)c2)=O	258
+c1cc(ccc1NCc2cc(oc2C)C(NS(=O)(=O)c3ccccc3C)=O)-c4ccccc4	10173
+O=S(=O)(c1ccccc1C)NC(c2ccc(c(OC)c2)Cc3cn(C)c4c3cc(C(=O)O)cc4)=O	1
+c1cc(ccc1I)N2CC(Cn3nnc(C)c3)OC2=O	10174
+O=S(=O)(c1c(CN2C(C=Cc3cnc(SC)nc23)=O)cccc1)CC	10175
+O=S(=O)(c1ccccc1Cc2c3cc(F)ccc3n(c2C)CC(OC)=O)Nc4ccccc4	69
+c1cc(ccc1)COC=2C(C=C(CNS(=O)(=O)c3ccccc3Cl)OC=2C(=O)O)=O	4970
+O=S(=O)(Nc1c(c2c(cc1)C3C(CO2)C3)C(=O)O)c4c(F)cccc4	1
+O=S(=O)(c1c(F)cccc1)Nc2c(c3OCC4C(CCO4)c3cc2)C(O)=O	1
+O=S(=O)(c1cnc(C=Cc2c(F)cccc2)cc1)c3ccccc3F	914
+O=S(=O)(NC)c1c(cccc1)Nc2nc(ncc2[N+]([O-])=O)Nc3c(ccc(OC)c3)OC	55
+CN(C)S(=O)(=O)c1cccc([N+]([O-])=O)c1O	31
+c1ccccc1-c2c3c([nH]n2)cc(c(c3)NS(=O)(=O)c4c(cccc4)S(=O)(=O)C)C	69
+CN(C)C(=O)C=1C(CNC(COC)C=1)NOCC=C	2862
+O=S(=O)(c1ccccn1)N(c2c3c(cc(c2)OCCOC)cc([nH]3)C(=O)O)C	6
+O=S(=O)(c1ncccc1)N(C)c2cc(OCCOC)cc3c2[nH]c(C(NCC(C(OC)OC)SCc4ccccc4)=O)c3	81
+O=S(=O)(Nc1cccc2c1n(COC)c(C(=O)O)c2)c3ccccn3	6
+O=S(=O)(N(c1cccc2cc([nH]c12)C=3SC(CN=3)(CCO)C)C)c4cccs4	10176
+O=S(=O)(c1cccs1)N(c2c3[nH]c(cc3c(C)cc2)C(N)=S)C	742
+O=S(=O)(N(c1c2c(ccc1)cc(C(O)=O)[nH]2)C)c3cccs3	6
+O=S(=O)(c1cnc(Oc2cc(c3c(cc(C(O)=O)[nH]3)c2)OC(COC)COC)cc1)C	1
+O=S(=O)(c1cnc(Oc2cc3cc(C(=S)N)[nH]c3c(OC(COC)COC)c2)cc1)C	742
+O=S(=O)(c1cnc(Oc2cc3cc([nH]c3c(c2)O)C(O)=O)cc1)C	6
+O=S(=O)(c1cnc(Oc2cc3cc(C(OCC)=O)[nH]c3c(O)c2)cc1)C	10177
+O=S(=O)(n1cc(C=O)cc1-c2ccccc2)c3ccc(OC)nc3	1690
+C1CNCCC1C2C(CCOc3ccc(cn3)S(=O)(=O)C)C2	62
+c1cc(ccc1)COc2nccc(-c3nnc(S(=O)(=O)C)n3C)c2	1424
+c1ccccc1COC(=O)N2CCCC(C2)C(C)Nc3nccc(n3)-n4cnc5ccccc45	435
+c1cc(ccc1N2CCN(CC2)C)Nc3nc4N(Cc5ccccc5Br)C(=O)C=Cc4cn3	1359
+O=S(=O)(c1ncc(Oc2cc(cc(-c3[nH]c(cc3)C(=O)O)c2)OC(COC)C)cc1)C	426
+O=S(=O)(c1ncc(Oc2cc(cc(c2)-c3[nH]c(C(=O)NC(C(C)O)CO)cc3)OC(COC)C)cc1)C	81
+O=S(=O)(c1ncc(cc1)Oc2cc(-c3ccc(C=4OCC(C(C)O)N=4)[nH]3)cc(OC(COC)C)c2)C	10178
+O=S(=O)(C)c1ccc(Oc2cc(c3[nH]c(cc3c2)C4=NCC(CCO)S4)OCC)cn1	44
+O=S(=O)(c1ncc(Oc2cc(cc(-c3ccc(C=4OCC(C(C)O)N=4)[nH]3)c2)OC(C)CO)cc1)C	88
+c12nc(ncc1ccnc2Cl)Nc3ccc(cc3C)-c4cnn(C)c4	10179
+c1cc(ccc1C=O)NS(=O)(=O)c2ncccc2	39
+O=S(=O)(C)c1nccn1CC(=O)O	3
+O=S(=O)(NCCn1nc(c(c1CC)Cc2cc(Cl)cc(Cl)c2)CC)c3ncn(C)c3	4146
+c1cc(ccc1C2C(CN(S(=O)(=O)c3cn(C)cn3)C2)OC(=O)NCCCC)F	3936
+O=S(=O)(c1ncn(C)c1)N2CCC(CC2)C3NCCc4cc(ccc34)OC	1218
+c1c(F)c(c(cc1)F)COc2cc(ncn2)OCC#CC	10180
+O=S(=O)(Nc1c(F)cccc1F)c2nn3c(n2)c(ccc3Cl)OC	10181
+O=S(=O)(c1n(C)c(nn1)-c2ccnc(O)c2)C	104
+O=S(=O)(c1ccc(C(=O)OCC)s1)N2CCN(C(c3ccccc3)=O)CC2C	1147
+O=S(=O)(Nc1ccccc1N)c2cc3ccccc3s2	1063
+c1ccccc1-c2cc(C(=O)OCC)c(C)n2S(=O)(=O)c3cccnc3	1072
+n1ccc(C)c2c1cc[nH]2	3131
+O=S(=O)(n1c2c(cc(cc2)CC[N+](=O)[O-])c3cc(cnc13)Cl)c4ccccc4	364
+c1cc(ccc1)C(=O)NCCc2ccc3n(S(=O)(=O)c4ccccc4)c5ncc(cc5c3c2)Cl	93
+O=S(=O)(n1c2c(cc(cc2)CCN)c3cc(cnc13)Cl)c4ccccc4	157
+O=S(=O)(n1ccc2c3c(ccc12)OCCNC3)c4ccccc4	2217
+O=S(=O)(n1ccc2c1cccc2)c3cc(C=O)c(cc3)Br	39
+O=S(=O)(c1ccccc1)n2c(C(O)=O)cc3ccccc23	1
+FC(F)c1cc2c(Cl)c(ccc2[nH]1)C#N	741
+O=S(=O)(n1c2c(cc1)cccc2)c3ccc(Br)c(CO)c3	49
+O=S(=O)(n1c2c(c(Cl)c(cn2)CC=O)cc1)c3ccc(cc3)C	465
+O=S(=O)(c1ccc(cc1)C)n2cc(c3cc(cnc23)-c4ccccc4)-c5ccc(c(c5)F)OC	4971
+O=S(=O)(c1ccc(cc1)C)n2cc(-c3ccc(cc3)C(O)=O)c4cc(cnc24)-c5ccccc5	4971
+c1cc(ccc1S(=O)(=O)n2cc(cc2-c3ccccc3)C=O)OC	1639
+c1ccccc1S(=O)(=O)n2cc(cc2Br)C(O)=O	1
+O=S(=O)(n1c2c(cc1)c(ccc2)C=O)c3sccc3	674
+S(C)(c1cccc(C(=O)OC)c1)(=O)=NC(c2cncc(c2)C#Cc3cccc(c3)NC(=O)c4n(nc(C)c4)C)=O	1240
+C1CC1NC(N2CCS(=O)(=O)C(CC(NOC3OCCCC3)=O)(c4sc(cc4)-c5ccc(cc5)-c6cnco6)CC2)=O	437
+C1C2(CC1)S(=O)(=O)CC(NC2=N)(C)c3cc(ccc3F)[N+]([O-])=O	31
+O=S1(=O)CC(CC1)CO	21
+O=S(=O)(c1ccc(cc1)C)OCC2CS(=O)(=O)CC2	36
+O=S1(=O)CCC(C1)Nc2c([N+](=O)[O-])cc(Cl)cc2F	31
+O=S1(=O)CC(CO)CN1CC	118
+c1ccc2c(c1)C(=O)N(C2=O)CC3CS(=O)(=O)N(C3)CC	332
+C1C(CC12CS(=O)(=O)C2)Nc3ccc(Cl)cc3N	0
+C1C(CC1=O)(c2ccc(cc2)OCc3cc4c(cc3)scc4-c5c(cc(cc5)C6=CCS(=O)(=O)CC6)C)CC(OCC)=O	20
+c1cc(ccc1NC(C2=Cc3cc(ccc3S(=O)(=O)CC2)Br)=O)CN(C4CCOCC4)C	4909
+O=S1(=O)CCC(Nc2c(F)cc(cc2N)Cl)C1	0
+O=S1(=O)CCC(C1)c2c3cc(Br)cc(C(=O)O)c3[nH]c2	6
+O=S1(=O)CCCC(c2c3cc(Br)cc(c3[nH]c2)C(=O)O)C1	6
+O=S1(=O)CCCC(c2c3cc(-c4ccoc4)cc(c3[nH]c2)C(=O)N)C1	1628
+O=S1(=O)CCCN1CC23CC4CC(C(N)(C2)C4)C3	4972
+O=S1(=O)CCCN1c2ccc(cc2)NC(=O)C(CCC)Oc3cccc(-c4noc(n4)C)c3	33
+O=S1(=O)CCCN1c2ccc(cc2)N	0
+O=S1(=O)CCCOc2c1ccc(Oc3cc(cc(C(=O)Nc4cnc(cn4)C)c3)OC(C)CO)c2	88
+Fc1cc(cc(F)c1N2CCS(=O)(=O)CC2)N	0
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)[N+](=O)[O-])F	31
+c1cc(ccc1F)CNC(c2nc(c3cccnc3c2O)N4CCN(CCS4(=O)=O)S(=O)(=O)C)=O	4206
+O=S1(=O)CCc2ccsc12	4973
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCc3cccc(C#N)c3	1904
+O=S1(=O)c2c(n(C)cc2)C(CCN1CCCCl)=NO	1213
+O=S1(=O)N(C2(CCNC(C)C2)CN1)c3cc(F)ccc3	62
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(OC(C)C(O)=O)ccc13)C	3
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(ccc13)OCC(=O)O)C	3
+c1ccccc1N2CCCCN(S2(=O)=O)Cc3c(cc(cc3)Br)F	692
+C1CCC1N2c3c(S(=O)(=O)NC2)cc(Cl)cc3	10182
+O=S(=O)(Nc1cc(c(N)cc1)S(=O)(=O)N)C	10183
+N1CC(CNS1(=O)=O)c2ccc(c(C=3CCCCC=3)c2)N	989
+O=S1(=O)c2cc(C#N)ccc2C(=O)c3cc(ccc13)F	274
+c1cc(ccc1S(=O)(=O)Oc2c(cnn2CC)C(c3cc(c4S(=O)(=O)CCC(c4c3C)C)C)=O)C	10184
+O=S1(=O)c2c(C(c3ccccc3)NC(CC)(C1)CCCC)cc(c(CCCO)c2)OC	21
+O=S1(=O)c2c(cc(OC)c(CCC(O)=O)c2)C(c3ccccc3)NC(CC)(C1)CCCC	3
+c1cc(ccc1)C(OC2CCS(=O)(=O)c3c(C)cc(c(C)c23)C(=O)O)=O	279
+O=S1(=O)CCC(=Cc2cc(ccc12)Br)C(=O)O	127
+c1cc(ccc1F)N2CCN(CC2)CCCN3CCC(c4n(C)ccc4S3(=O)=O)=NO	53
+O=S1(=O)N(C)CC(=NO)c2n(ccc12)CCCCN3CCC(CC3)C(=O)c4ccc(cc4)F	53
+C1CCCCC1C2=NS(=O)(=O)c3cc(N)ccc3N2	10185
+c1cc(ccc1CN2C(C(=C(O)C3C4CCC(C23)C4)C5=Nc6c(S(=O)(=O)N5)cc(cc6)I)=O)F	10186
+O=S1(=O)c2ccc(-c3ccc(cc3)N4CCCCC4)cc2C=C(C(=O)O)CC1	127
+O=S1(=O)N(c2ccc(cc2)Cl)C(N(C)c3c1ccc(O)c3)=O	5
+O=S1(=O)c2c(n(cc2)CCCCCl)C(CN1C)=NO	1213
+O=S(=O)(N)c1ccccc1SCCOC	10187
+O=S(=O)(Cl)c1cc(CC)c(Cl)cc1	4365
+c1ccccc1Oc2ccc(C(O)=O)nc2	10188
+c1cc(ccc1)CNCCCNc2cc(c(C)cc2[N+](=O)[O-])C	42
+c1(N)c(ccc(c1)O)NC(=O)COc2cc(ccc2)OCC	0
+[N+](=O)(c1cc(cc([N+](=O)[O-])c1)SCCCCN2C(c3c(cccc3)C2=O)=O)[O-]	636
+c1cc(c(N)c(c1OC)[N+]([O-])=O)Br	0
+c1(c(CC(=O)OCC)c2c(cccc2)c(N)c1)[N+](=O)[O-]	0
+c1c(c(OC)cc(c1C)C)N	0
+c1c([N+]([O-])=O)cc(cc1C=C)[N+]([O-])=O	10189
+c1cc(c(c(F)c1F)COc2cc(Nc3nc(Cl)ccc3N)c(Cl)cc2OC)OC	13
+N#Cc1ncccc1Cl	10190
+c1(nn2c(cccc2c1[N+]([O-])=O)Br)CC	10191
+c1ccccc1C(=O)Nc2n[nH]c3c(F)cc(cc23)[N+]([O-])=O	2166
+O=Cc1c(ccc(C)n1)-c2oc(cn2)CC	1436
+c12-c3c(cccc3)C(c1cccc2)COC(=O)NC(c4nc(C=O)c5c(cccc5Cl)c4)C	1436
+c12c(c(ccc1C=CC(=O)N2C)OC)CC=O	465
+c1(C=O)cc2c(Cl)ccnc2cc1	674
+c12ncc(OC)cc1N(C(=O)C=C2)CC=O	465
+c1c(Br)cc2c(C(N(CC=O)CC2)=O)c1	465
+c1cc(ccc1F)-c2c(COc3ccc(C(=O)OC)cn3)c(on2)C=O	4975
+c1cc(ccc1-c2c(COc3ccc(C(=O)OC)cn3)c(on2)C=O)Cl	4975
+c1cc(ccc1)COc2c(ccc(C=O)n2)[N+]([O-])=O	1436
+c1cc(ccc1-c2noc3-c4c(cc(C=O)cc4)CCc23)CCC	674
+c1cc(ccc1-c2oc3c(cc(c(N(c4ccc(C=O)c(Cl)c4)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	674
+c1cc(ccc1)CC2COC(=O)N2C(=O)C3C(CC(=O)C3)c4ccc(cc4)Cl	10192
+c1ccccc1COC(=O)NC2C(CC=O)N(C2=O)C(=C(C)C)C(OC)=O	465
+c1ccccc1COc2c3nc(cc(C=O)c3ccc2)C	674
+c1nc(c2n1-c3c(c(ccc3)CC=O)OC2)C(=O)OCC	465
+c1ncn(CC(CC=O)c2ccc(c(c2)Cl)Cl)c1	465
+c1c2c(c(Cl)cc(n2)C=O)ccc1OC	501
+O=Cc1nc2c(cc1)cc(F)c(OCC)c2	501
+O=Cc1nc2c(cc1)cc([N+]([O-])=O)cc2	501
+Cc1cccc(C)c1-c2nc(c(cc2)F)C=O	501
+O(COC)c1ccc2ccc(nc2c1C#N)C=O	501
+c1(OC)c(OC)c(cc2nc(C=O)ccc12)OC	501
+c1(ncccc1[N+](=O)[O-])C=O	501
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5c(c(I)n4)c(C=O)nc(Cl)c5	501
+c1cc2ccc(c(c2nc1C=O)[N+](=O)[O-])OCOC	501
+c1cc(ccc1)-c2nnc3cccc(c3c2)C=O	3133
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(c(nc(Cl)c5)C=O)c(N6CCOCC6)n4	501
+c1(C=O)ccc2ncccc2c1	3133
+O=Cc1nc2cccnc2cc1	501
+O=Cc1ccnc2ccc(cc12)C#N	3133
+c1cc(c(C)nc1)[N+](=O)[O-]	10193
+c1cc(ccc1CN2c3c(C(N(CC(c4cc(C)c(OC)cc4)=O)C2=O)=O)cc(s3)CC)-c5c(C#N)cccc5	10194
+c1([N+]([O-])=O)c(OC)c(cc(C#N)c1)C(=C)C	4166
+C1CC1c2cc(cc3cc[nH]c23)[N+]([O-])=O	4976
+C1CC1c2c(C(OC)=O)c(F)ccc2	365
+C1CC1c2c3c(c(F)cc2)c(C(=O)OC)c[nH]3	4976
+C1CC1c2cc(C(=O)OC)c(Cl)nc2	940
+C1CC1c2ccc3c(cnnc3O)c2	365
+C1CC1c2c(cc(c(CC(=O)OC)c2)C)C	365
+C1CC1c2cnn(C)c2-c3csc(C(=O)OC)c3	10195
+C1CC1c2c(c(cnc2)Br)Cl	940
+C1CC1c2c(Nc3ccccc3C(NOC)=O)cc(Cl)nc2	940
+c1c(F)c(c(cc1C2CC2)F)[N+](=O)[O-]	365
+C1CC1c2ccc(c(c2)C)C(OC)=O	365
+C1CC1c2ccc(C(=O)OC)c(c2)F	365
+C1CC1c2cc(c(C(=O)OC)cc2)O	365
+C1CC1c2ccc(F)c(c2)[N+]([O-])=O	365
+C1CC1c2cc(c(cc2)N)[N+](=O)[O-]	365
+C1CC1c2ccc3c(c2)ncs3	10196
+C1CC1c2cc(CO)c(OCC)cc2-c3ccc(cc3)F	10197
+c1cc(ccc1-c2c(F)c(OC(C)C)c(cc2C3CC3)C=O)F	365
+C1CC1c2ccc(cc2)C=O	365
+c1cc(ccc1-c2c(C3CC3)nccn2)CC(OC)=O	10198
+c1cc(ccc1F)N2N(C(=C(C3CC3)C2=O)C)C	10199
+C1CC1c2cc(Cl)ccc2CCNC(=O)c3ccc(cc3)Oc4c(cc5c(OCCC5C(OCC)=O)c4)Cl	365
+C1CC1c2cnc(cc2)N	940
+C1CC1c2cccc(N3CCn4c(cc(n4)OCc5ccccc5)C3=O)n2	2222
+c1cc(cc(c1OC)C=2CCCC=2)F	989
+c1c(nc(C=2CCCCC=2)c(F)c1)C(=O)O	3061
+c1cc(ccc1C=Cc2cc(-n3nc(CC)c(C(OC)=O)c3CC)ccc2)Cl	10200
+c1ccccc1C=Cc2nc(nc(c2)Cl)N	4679
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)(c3cc4c(nccc4C=Cc5ccccc5)cc3)O	10201
+CC(C)Cc1ccc(cc1C#N)[N+]([O-])=O	4868
+OB(O)CCCCn1cnc2c(Cl)nc(N)nc12	637
+c1(c(C)cc(C)cc1OC)-c2n3nc(CC)c(c3c(cc2)OC)[N+](=O)[O-]	4977
+c1(-c2c(Cl)cc(OC)cc2)cccc3c(c(nn13)CC)[N+]([O-])=O	4977
+c1cc(ccc1OCCOCCCC)-c2cc3C=C(C(=O)OC)CCCNc3cc2	750
+c1cc(ccc1OCCOCCCC)-c2cc3C=C(CCNc3cc2)C(=O)OC	750
+c1(C=O)c(ccc2cc(-c3cc(ccc3)OC)ccc12)OC	750
+c1cc(-c2cc(ccc2)CC(N)=O)cc(c1)OC	10202
+Cc1oc(-c2ccc(OC)cc2C)cc1C=O	1242
+c12c(cc(-c3cc(ccc3C)F)cc1)cnc(N)c2	11
+c1cccc(c1C)-c2n3c(c(C)n2)c(nc4ccc(F)cc34)C	4978
+Cc1ccccc1-c2c(F)cc(cc2)OC	11
+c1(cc2c(ccc(-c3ccccc3C)c2)nc1Cl)CO	11
+Cc1ccccc1-c2cc3ccc(N)nc3cc2	11
+Cc1ccccc1-c2cc(ccc2)C(=O)N3Cc4cccn4Cc5c3cccc5	11
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OCC)-c4onc(C)c4Nc5nc(-c6ccccc6C)ccc5	119
+c1cc(ccc1-c2c(cccc2)C)C(Nc3ccc4nc(sc4c3)N(C)CCN(C)C)=O	134
+c1cc(ccc1-c2c(cccc2)C)-c3oc(C)c(CCOc4ccc(cc4)OC(C)(C)C(OCC)=O)n3	11
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(c(F)cc(c3)-c4c(cccc4)C)O2)C	11
+Cc1c(cccc1)-c2ncnc(Cl)c2[N+](=O)[O-]	198
+c1cc(ccc1)C2CCc3c4N2C(Nc4ccc3-c5c(C)onc5C)=O	10203
+C(=O)c1c(-c2c(ccc(c2)CC(OC)=O)OC)cc(cc1)OC	11
+O=Cc1ccc(OC)cc1-c2cnc(cc2)C(NCCC(OCC)=O)=O	89
+c1c(-c2c(Cl)cc(c(N)c2)N)c(Cl)c(Cl)cc1	134
+c1cc(Cl)c(cc1Cl)-c2n3c(c(C)n2)c(nc4ccc(F)cc34)C	4978
+c1cc(ccc1)COc2nc3c(ncn3-c4c(Cl)cccc4Cl)cc2	10204
+Clc1c(cccn1)-c2ccnc(Cl)n2	10205
+COc1c(F)c(ccc1Br)-c2ncc(nc2)N	356
+n1cc(cnc1-c2ccc(c(F)c2F)OCc3ccccc3)Br	2294
+Clc1ccc(c(F)c1)-c2c(F)cncc2C(OC)=O	699
+Clc1cc(c(cc1)-c2cc(c(cc2)CC)[N+]([O-])=O)F	11
+n1cc(cnc1N)-c2ccc(cc2F)Cl	537
+c1(C)nc(Cl)nc(c1)-c2cc(OCC)ccc2F	198
+c1cc(ccc1)COc2ccc(c(c2F)-c3c(F)ccc(n3)C(=O)OC)F	119
+c1cc(ccc1-c2nc3ccc(-c4cc(ccc4F)C=O)cn3c2)Cl	89
+Nc1c(c(F)c(Cl)nc1)-c2cccnc2F	3103
+c1ccccc1C2CC(c3c(cc(c(-c4c(nccc4)F)c3)F)O2)=O	305
+c12c(cccc1)C(=O)N(C2=O)CCCCc3c4c5c(cccc5)nc(N)c4nn3CC	10206
+c1cc(N)c(cc1)-c2ncc(Cn3ccnc3)cc2	119
+c1ccc(c(c1)-n2nnnc2-c3c(-c4ccccc4N)cccc3)F	10207
+n1(nc(c(-c2c(N)cccc2)c1C)C#N)C	800
+c1(Nc2cccc(CS(=NC(OCC)=O)(C)=O)c2)ncnc(n1)-c3cccc(Cl)c3OC	1582
+c1cc(ccc1-c2cc(c(F)cc2OC)F)O	134
+c1(ccc(cc1-c2c(cccc2)I)Br)OC	134
+c1cc(ccc1S(=O)(=O)OCC2Oc3c(cccc3C2)-c4c(c(ccc4)C)C)C	11
+COc1c(c(ccc1)O)F	2295
+c1ncncc1C2(c3c(c(ccc3)F)C(N)=N2)c4ccc(F)c(c4)-c5c(F)c(ccc5)OC	10208
+c1cc(ccc1-n2c(Cl)cc3c2c(O)c(c(O)n3)C#N)-c4cccc(OC)c4O	11
+c1(c(ccc(C(=O)O)c1)-c2nc3c(cc(OC)cc3)cc2)Cl	691
+c12c(cc(cc1)-c3cnc(F)cc3C)cnc(N)c2	305
+c1ccccc1CSc2ccc3c(c(nnc3c2)Br)-c4c(cc(c(c4)Cl)-c5cc(ccc5)F)OC	10209
+c1cc(ccc1OC)-c2cscc2-c3c(cc(cc3)C#N)C	1074
+Cc1ccc([N+]([O-])=O)cc1-c2ccc(C(=O)CC)cc2C	11
+Clc1ccc(c(Cl)c1)-c2cccc3c(n(C)nc23)C(=O)OC	1009
+Clc1ccc(c(Cl)c1)-c2cc(ccc2[N+]([O-])=O)F	11
+c1cc(ccc1)COc2nccc(-c3ccc(cc3Cl)Cl)c2[N+](=O)[O-]	699
+c1cc(ccc1)COC(N2CC(O)C(Nc3nc(CC)c(-c4ccc(OC)cc4Cl)nc3CC)C2)=O	356
+c1c(OC)ccc(-c2cnc(c(Br)c2CC)N)c1F	89
+c1cc(ccc1-c2sc(-c3ccc(cc3F)OC)cc2)C(O)=O	268
+c1cc(c(cc1)-c2cc(F)ccc2F)N	11
+c12cc3c(CC(C)C3=O)c(-c4cc(C)ccc4C)c1CCC2	11
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(O2)c(-c4c(C)ccc(C)c4)ccc3)C	11
+O(CC)C(c1cccc(-c2ccccc2-c3c(OC)ccc(Br)c3)n1)=O	119
+c1cccc(-c2ccc(CO)c(C)c2)c1Cl	11
+c1cc(ccc1Cl)C2=CC(=O)N(Cc3ccccc3)N=C2c4c(Cl)cccc4	4979
+c1cc(ccc1N2CCOc3nc(nc(N)c3C2=O)C)-c4c(Cl)cccc4	11
+c1cc(ccc1C(OCC)=O)-c2ccccc2Cl	11
+O=S(=O)(OCC1Oc2c(-c3ccccc3Cl)cc(cc2CC1)F)c4ccc(cc4)C	11
+c1cc(c(O)cc1)-c2ccccc2-c3nnnn3-c4c(F)cccc4	134
+n1c2c(c(Cl)cc1-c3ccccc3O)cccc2	691
+c1cc(ccc1-n2ccc3NC(=O)NC(c23)=O)-c4ccccc4O	11
+C1COCCN1c2cc(nc(-c3c(O)cccc3)c2)OCc4ccc(cc4)OC	140
+c1cccc(-c2ccc(cn2)C(=O)OC)c1O	140
+OB(O)c1c(-c2cc(ccc2)CC(N)=O)cccc1OC	3034
+c1cccc(-c2cc(cc(c2)C(=O)O)[N+]([O-])=O)c1OC	134
+c1cc(ccc1Cc2c(cccc2)OC)Br	10210
+c1cc(ccc1OC)-c2c(-c3ccccc3OC)oc4ncnc(NCCCCCC(=O)OC)c24	1242
+c1cccc(-c2cnc(OCC(Nc3c(csc3)C(OC)=O)=O)cc2)c1OC	89
+c1cc(ccc1-c2c(cccc2OC)F)-n3ccc4NC(=O)NC(=O)c34	11
+Cc1ccccc1-c2c(Cl)cccc2OC	11
+c1cccc(-c2c(Cl)cccc2OC)c1Cl	11
+c1c(C)c(cnc1)-c2c(F)c(ncc2)C#N	3103
+c1cc(nc(-c2cc(ncc2Cl)F)c1)NCc3cc(ccc3)F	1238
+c1c(c(OC)nc(OC)n1)-c2cc3c(c(Cl)c(cn3)C(N)=O)cc2	10211
+O1CCOC1c2cnc(c(-c3nc(SC)nc(n3)C)c2)F	2234
+c1(c(nccc1)OC)-c2cc(-c3[nH]c(N)nc3)ccc2	305
+c1cc(ccc1)Oc2c(-c3c(nccc3)OC)cc(cc2)C#N	305
+C1CN(CCO1)c2cc(CNCc3ccccc3)nc(n2)-c4cccc5[nH]ccc45	3967
+c1cc(ccc1N2C(=NNC2=O)CC3CN(CC3)C(=O)C4CC4)-c5c6cc[nH]c6ccc5	4980
+n1c2cc(-c3c4cc[nH]c4ccc3)cc([N+]([O-])=O)c2cn1C5CCCCO5	10212
+c1(cccc(c1)-c2ncccc2)Br	119
+c1c(cc(c(C)c1)-c2cc(Cl)nc(n2)N)Br	198
+c1(ccc(C=O)c(O)c1)-c2cccc(C#N)c2	11
+Cc1ccc(cc1-c2cc(ccc2)C#N)-c3nc4ccccc4o3	11
+c1(cc(ccc1)C#N)-c2ccc(cn2)C(=O)OC	140
+OB(O)c1cc(N)cc(c1)C(O)=O	0
+c1c(c(cc(-c2nc3c(ncnc3cc2)O)c1)C)OC	691
+O=Cc1cc(-c2ccnc(Cl)n2)ccc1F	198
+c1cc(ccc1-c2cc(CC)c(OC)cc2)C(=O)C	11
+c1(c(nccc1-c2cc(Cl)c(C(=O)OC)cc2)CC)C#Cc3cnc(cc3)N	699
+O=Cc1ccc(-c2n3c(nc2)ccc(NCCCC)n3)cc1F	1414
+n1cccnc1Nc2nc(cs2)-c3cn(Cc4ccc(cc4)OC)nc3-c5cc(ccc5OC)F	1624
+c1ccccc1COc2c(C=O)cc(cc2-c3c(ccc(F)c3)OC)C(OC)=O	11
+c1ccccc1CN2C(=O)C=C(C(c3ccccc3)=N2)C(n4nc(c5c(N)ncnc45)-c6cc(F)cc(O)c6)C	920
+c1(-n2c(cc(C)n2)C)nc(cc(NC(C)=O)n1)-c3cc(F)cc(O)c3	198
+c1c(OC)c(c(cc1-c2ccccc2C(=O)OC)OC)OC	11
+COc1cc(cc(OC)c1OC)-c2cc(ncn2)C	198
+O(c1cc(cc(OC)c1)-c2cc(C=O)c(cc2F)[N+](=O)[O-])C	11
+c1(cc(cc(OC)c1)-c2c(Cl)cc3c(c2)cnc(Cl)n3)OC	11
+COc1cc(cc(OC)c1)-c2cc3cnc(nc3cc2OC)Cl	11
+c12cc(-c3cc(ccc3)OC)cc(C)c1nc(nc2NC)-c4cnccc4	11
+Fc1c(C)ccc(c1)-c2cc(ccc2)OC	11
+c1cc(ccc1-c2c(sc(Cc3c(-c4cccc(OC)c4)cccc3)n2)CC(O)=O)F	11
+c1cc(ccc1OCc2c(oc(c2)C(=O)O)C)-c3cc(ccc3)OC	134
+c1ccccc1-n2cnc3cc(C#N)cc(-c4cccc(c4)OC)c23	10213
+c1(ccc(-c2cc(OC)ccc2F)c(Cl)n1)C(=O)OC	89
+Fc1c(Cl)ccc(c1)-c2ccc(c(CC(O)=O)c2)C	11
+C(O)Cc1cc(c(Oc2cc(F)c(Cl)cc2)cc1)F	472
+CC(C)(c1ccc(cc1)Cl)C=C(Cc2ccc(c(c2)Oc3ccccc3)F)F	10214
+c1cc(ccn1)-c2cc(c(OC)cc2)C=O	835
+c1cc(ccc1-c2c(C(NC)=O)c3cc(-c4cc(c(F)cc4)C(O)=O)c(Cl)nc3o2)F	89
+Clc1nc(nc(-c2ccc(c(OC)c2)OC)c1)N	198
+O(C)c1c(OC)ccc(c1)-c2cc(c(cc2)C#N)F	11
+c1cc(ccc1C(C(=O)Nc2c(nccc2)-c3ccc(OC)c(OC)c3)O)C	140
+c1(-c2ccc(OC)c(OC)c2)sc3nccn3n1	4944
+c1cc(ccc1)-c2nc(nnc2-c3cc(OC)cc(Cl)c3)N	3134
+OB(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1	77
+c1(cc(cc(c1OC)-c2cc(C(=O)O)ccc2)F)[N+]([O-])=O	11
+O=C(O)c1cccc(-c2cccc(C(=O)OC)c2)c1	11
+c1c(C(=O)O)cccc1-c2c3c(ccc2N)cccc3	11
+n1c(c2c(cccc2)c(n1)O)Cc3cc(c(cc3)F)-c4cccc(c4)C(O)=O	11
+c1cc(ccc1-c2nc3n(cc(cc3)-c4cc(C(O)=O)ccc4)c2C(=O)NC)F	89
+c1(C(c2ccccc2C)CC(c3cc(C)ncc3)=O)cccc(-c4cccc(c4)C(O)=O)c1	11
+c1(CO)cccc(-c2nc(C(Nc3c(c(ncc3C)C(=O)OCC)C)=O)c(cc2)C)c1	140
+n1c(ccc(-c2cc(CO)ccc2)c1)N	89
+c1nc(ncc1)-c2cc(CO)ccc2	2294
+c1cc(cc(c1)F)-n2c(C(OC)=O)c(c3ccccc23)C#N	1194
+c1cc(-n2c(cc3c(Cl)cccc23)C(N(C)OC)=O)cc(c1)F	1194
+c1c(OC)ccc2c(ccnc12)OCc3nnc4n3nc(-c5cc(F)ccc5)cc4	519
+c1(c(ccc(c1)-c2cc(ccc2)F)F)C(=O)O	11
+c1cc(cc(c1)-c2ccc3CCCC(=O)c3c2)F	11
+C1(CCc2c1cc(cc2)-c3cc(ccc3)F)=O	11
+c1cc(ccc1)S(=O)(=O)n2ccc3c(c(cnc23)-c4cc(F)ccc4)Cl	89
+c1cc(ccc1-c2cc(F)ccc2)C(CCC(OC)=O)=O	11
+C1c2c(NC(=O)C1)ccc(c2)-c3cc(ccc3)F	11
+n1cc(-c2cc(F)ccc2)nc(c1)N	696
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4c3cc(-c5cc(ccc5CO)F)cc4)N	134
+Clc1cc(c(cc1)F)-c2cncc(c2)NC(C(=O)N)c3c(cccc3)Cl	89
+Clc1ccc(c(c1)-c2cc3C4(c5cc(cnc5Oc3cc2)OCC(=O)C)N=C(N)OC4)F	11
+c1cc(ccc1C)C(C(N)=O)Nc2cncc(-c3c(F)ccc(Cl)c3)c2	89
+c1c(I)cc(c(F)c1)O	2295
+c1ccccc1COc2ccc(c(C=O)c2)-c3cc(ccc3OC)C(C)C	11
+c1(c(cc(Br)c(OC)c1)OC)-c2cc(ccc2OC)OC	11
+c1(cc(c(cc1)OC)-c2cccc3c(c(C(NCCCC)=O)nnc23)N)OC	1009
+O=S(=O)(C)c1cncc(-c2ccc3n(cc(n3)NC(C)=O)n2)c1	2512
+O=S(=O)(C)c1cncc(-c2c3c(n(n2)C)nc(nc3)N)c1	10215
+c1c(C)cc(C)c(-c2cc(ncc2Cl)Cl)n1	1238
+C(c1c(cccc1)F)(=O)Nc2nc(c(cc2)-c3cc(nn3C)-c4ccco4)N	10216
+C(N1C(c2c(C(=C1)C(=O)OC)cc(c(c2)OC)O)=O)C	2295
+CC1(C)OC(Nc2ccc(cc12)-c3cc(cc(c3)F)Br)=O	11
+c1(F)cc(cc(F)c1)-c2cc(nc3c(c(nn23)C)-c4ccc5OCOc5c4)N6CCCC6CO	3003
+c1cc(ccc1CC#N)-n2c3c(nc2)cnc4c3cc(cc4)-c5ccc6OCOc6c5	11
+c1cc(ccc1COc2cc(-c3ccc4OCOc4c3)cc(Nc5cccnc5)c2)OC	11
+c1c(cc2ccc(Br)cc2c1)-c3cc4ccccc4c5ccccc35	11
+c1cc(ccc1Br)-c2c3ccccc3c4c(cccc4)c2	134
+c1ccccc1C(CC)C(Nc2ccc(-c3ccc4cc(OCC)ccc4c3)c(C(N)=O)c2)=O	134
+c1cc(ccc1)-c2nc(nnc2-c3cc4ccoc4cc3)N	3134
+c1cc(ccc1-c2cc3c([nH]cc3)cc2)C#N	11
+c1cc(ccc1-c2ccc(nc2F)-c3ccc(cc3)CCCCCCCCC)CCCCC	305
+c1cc(ccc1NC#N)-c2ccc(C#N)n2C	3730
+c1cc(ccc1Br)-c2ccc(C(C)=O)s2	1373
+C(c1sc(cc1)-c2c3nc(ccc3cnc2)C(NCc4occc4)=O)(=O)O	10217
+Cc1cc(c(-c2c3c([nH]cc3)ncc2)cc1)C	3032
+c1([N+]([O-])=O)cccc(-c2ccc(C)cc2C)c1C(=O)OC	667
+C1C(CC1)c2ccc(-c3cc4[nH]cnc4nc3)c(c2OC)F	1151
+c1(cc2c(cc1OC)n(-c3nc(-c4cc(Cl)c(Cl)cc4)c(C(OC)=O)s3)cn2)OC	10218
+c1ccccc1[Si](c2ccccc2)(OCCC(=C)c3ccc(c(c3)Cl)Cl)C(C)(C)C	10219
+c1ccccc1NC(c2cc(ccc2F)-c3c(ncn3C)-c4nccc(C#N)c4)=O	1234
+c1(cc(-c2nc(CC)[nH]c2)ccc1F)C	1234
+O=Cc1ccc(-c2ccc(cc2F)F)c(F)c1F	11
+Fc1cc(ccc1-c2c(C(C)=O)cccc2)F	11
+c1c(ccc(-c2nnc(N)nc2)c1F)F	3134
+c1c(ccc(c1F)-c2cncc3c2cc(cn3)C(=O)N)F	1151
+n1c(-c2cc(c(cc2)OC)F)c(C)ccc1	119
+c1c(OC)c(cc(-c2c3cc(NC(C)=O)cnc3n(C)n2)c1)F	4981
+c1cc(ccc1)N(c2cc(nn3c2ncc3)-c4cc(c(cc4)F)C#N)Cc5ccc(cc5)OC	519
+CC(C)COc1c(cc(-c2c(Br)c(c(C(OC)=O)s2)F)cc1)C#N	268
+N#Cc1c(cc(-c2cccc3c2CCCC3=O)cc1)F	11
+c1cc(ccc1)Nc2nc(N)nc(c2)-c3ccc(c(c3)F)C#N	198
+c1nc(ncc1-c2c(F)c(c(CCCCCCCC)cc2)F)-c3ccc(OCCCCCC)nc3	537
+c1c(c(c(c(O)c1)F)F)CCCCCCCCC	2295
+O1CCOC1CCc2ccc(cc2)-c3c(F)c(c(cc3)OCC)F	11
+c1cc(ccc1CCCC)-c2ccc(cc2)-c3c(F)c(c(C#Cc4ccc(cc4)CCCC)cc3)CCC	134
+c1cc(ccc1CCCCCCCCC)-c2cccc(F)n2	119
+c1cc(ccc1NS(=O)(=O)C)-c2nnc(Cl)cc2	519
+c1cc(ccc1-c2cc(F)ccc2)O	134
+c1cc(ccc1O)-c2cc3ccc(nc3cc2)C(=O)OCC	11
+c1cc(ccc1O)-c2nc(Cl)cnc2	696
+c1cc(ccc1O)-c2c(c(-c3c(cc(cc3)OC)F)cnc2N)CC	89
+c1cc(ccc1O)-c2cc3C(=O)C=C(Oc3cc2)C(OCC)=O	134
+c1cc(ccc1O)-c2cc3nccc(Oc4ccc([N+]([O-])=O)cc4F)c3s2	4982
+c1cc(ccc1OCc2cn3c(cc2)nc(n3)-c4ccc(cc4)O)C(CC(=O)OCC)C#CC	4983
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(nc4)c(C)c(cc5)-c6ccc(cc6)O	495
+c1cc(ccc1-c2ccc(C#N)cn2)O	119
+c1cc(ccc1-c2c3n(nc2C)c(cc(N4CCCC4CO)n3)-c5cc(F)c(F)cc5)OC	3003
+c1cc(ccc1-c2ccccc2[N+]([O-])=O)OC	134
+c1cc(ccc1-c2cnc(C(OC)=O)cc2C)OC	89
+c1cc(ccc1OC)-c2cc(ccc2N)CCC	134
+c1cc(ccc1-c2cc(ccc2OC)C=O)OC	11
+c1cc(ccc1OC)-c2sc(C(=O)OC)c(C)c2C	268
+c1cc(ccc1-c2cn(-c3ccnc(SC)n3)c4c2ccc(-c5cc(ccc5)[N+]([O-])=O)c4)OC	550
+c1cc(ccc1-c2c3ccc(-c4cc(ccc4)[N+]([O-])=O)cc3n(-c5cc(NC)ncn5)c2)OC	550
+c1cc(ccc1-c2ccc3c(cc(C(=O)OCC)[nH]3)c2)OC	11
+c1cc(ccc1OC)-c2ccc(c(F)c2)Br	134
+c1cc(ccc1OC)-c2ccc3n(c(c(c3c2)C)-c4ccccc4)C	11
+c1cc(ccc1-c2c3c(ccc2)n(c(c3C)-c4ccccc4)Cc5ccccc5)OC	495
+c1cc(ccc1OC)-c2cc3c(n(Cc4ccccc4)c(C)c3C)cc2	11
+C1CC1C(=O)N2CC(CC2)CC3=NNC(N3c4ccc(cc4)-c5ccc(cc5)OC)=O	11
+c1cc(ccc1S(=O)(=O)Nc2cc(no2)C)-c3ccc(cc3)OC	11
+c1cc(ccc1-c2ccc(cc2)OC)C(OCC)=O	11
+c1cc(ccc1-c2ccc(cc2)C=Cc3[nH]c(cn3)-c4ccc(Cl)cc4Cl)OC	11
+c1cc(ccc1-c2[nH]c(nc2-c3ccncc3)-c4ccc(cc4)Cl)-c5ccc(cc5)OC	11
+c1cc(ccc1OC)-c2ccc(cc2)-c3nc(CCOc4ccc(cc4)OC(C)(C)C(=O)OCC)c(C)o3	11
+c1cc(ccc1-c2c3c(n(C)c(-c4ccccc4)c3C)ccc2)OC	495
+c1cc(ccc1OC)-c2ccc(cc2)C(c3ccccc3)C(OC)=O	11
+c1ccccc1COc2cc(cc3c(cc(nc23)C(OC)=O)O)-c4ccc(cc4)OC	11
+c1cc(ccc1-c2c(C)ccc(C(NC)=O)c2)OC(C(O)CCc3cnccc3)C	11
+c1cc(ccc1CC(O)=O)-c2ccc(cc2)OC(C)C(CCc3cnccc3)O	11
+c1cc(ccc1OC(C)C)-c2cc(Cl)cc(n2)Cl	140
+CC(C)Oc1ccc(cc1)-c2cc3cc(C(=O)OCC)[nH]c3cc2	11
+c1cc(ccc1-c2ccccc2C#N)CC=3C(N(c4ccc(cc4)OC(C)C)C=NC=3CCC)=O	10220
+c1cc(ccc1OCC2CC2)-c3cc(NC(Cc4ccccc4)C(OC)=O)ncn3	198
+O=S(=O)(C)c1ccc(cc1)-c2cc(ccc2F)-c3cn[nH]c3-c4nc(ccc4)C	11
+c1cc(ccc1-c2ccc3c(cnnc3c2)O)S(=O)(=O)C	495
+c1cc(ccc1S(=O)(=O)C)-c2ccc3cnc(SC)nn23	10221
+c1cc(ccc1-c2cnc3c(N(Cc4ccccc4)C(=O)CN3)c2)S(=O)(=O)C	796
+c1cc(ccc1-c2ccc3c(c(C(=O)OCC)n(c3c2)Cc4cccc(Cl)c4)NC(=O)c5ccc(cc5)Cl)S(=O)(=O)C	495
+c1cc(ccc1C)S(=O)(=O)N2CC(N(C(C)=O)c3cnc(cc23)-c4ccc(cc4)S(=O)(=O)C)C	119
+c1cc(ccc1)CN2CCC(CC2)COc3ccc(-c4ccc(cc4)S(=O)(=O)C)cn3	89
+c1ccccc1COC2CC(CCC2)Oc3c(cc(cc3F)-c4ccc(cc4)S(=O)(=O)C)F	11
+c1cc(ccc1)Oc2c(ccc3c2CCC(C)N3C(C)=O)-c4ccc(cc4)S(=O)(=O)C	11
+C1CC(CCC1Oc2c(F)cc(cc2F)-c3ccc(cc3)S(=O)(=O)C)Oc4ncc(cn4)CC	11
+c1cc(ccc1S(=O)(=O)C)-c2cccn3nc(N)nc23	1805
+c1cc(ccc1-c2cc(ccc2OC)-c3n(c(cc3C)C(OC)=O)C)S(=O)(=O)N	11
+c1cc(ccc1S(=O)(=O)N)-c2cc(-c3c(C)c(c(s3)C(OC)=O)C)ccc2OC	11
+c1cc(ccc1S(=O)(=O)NC)-c2cnn3ccc(C(=O)N(c4ncc(C#N)cc4)CC)cc23	4785
+c1cc(ccc1SC)-c2cccc(C=CC(N(OC)C)=O)c2	11
+c1cc(ccc1N2N=CC(=C(OC)C2=O)c3ccc(cc3)SC)F	10222
+c1cc(ccc1)COCN2C(=O)C(=C(N(C)C2=O)c3ccc(cc3C)OCOC)C	4580
+c1ccccc1COc2cc(c(cc2)-c3nc(ccc3)-n4c(ccc4C)C)C5CC5	119
+C1CCC(C1)c2cc(OCc3ccccc3)ccc2-c4nc(ccc4)-n5c(ccc5C)C	119
+c1(F)c(c(Cl)ccc1)-c2cc3c([nH]2)ccc(-c4ccc(OC)cc4OC)c3	11
+n1cc(cnc1CCCCCCCC)-c2ccc(cc2)-c3cc4CC(Cc4cc3)CCCCCCCC	11
+c1c(ccc2c1OCCO2)-c3n4c(cc(c3)C)nc(N)n4	10223
+c1(N)cnc(-c2cc3cnn(C)c3cc2)cc1	119
+C1CC2(CCN1S(=O)(=O)c3ccc(cc3)-c4ccc5cccnc5c4)OCC(=O)N(C2)C6CC6	4980
+c1ccnc(c1)-c2c(OC)ccc(-c3cc4c(cccc4)cc3)c2OC	11
+c1cc2ccccc2cc1-c3cc(ccc3)Br	134
+c1cc(ccc1CC2=C(N=C(N(C2=O)c3cccc(C(C)=O)c3)C)CCCC)-c4ccccc4C#N	1778
+C(C)OC(=O)c1cccc(c1)-c2ccc([N+]([O-])=O)cn2	140
+c1cc(ccc1-c2cccc(C)c2)C(=O)OCC	11
+c1ccccc1COc2c3nc(cc(O)c3cc(-c4cccc(C)c4)c2)C(OC)=O	11
+c1cc(ccn1)-c2nc(NCC(N)Cc3ccccc3)ccc2-c4cccc(C)c4	89
+c1cc(ccc1)Cn2ncc(c2)C(=O)Nc3c4c(n(S(=O)(=O)c5ccc(cc5)C)c3)ncc(c4)-c6cccc(C=O)c6	89
+c1(cc(-c2ccnc(Cl)n2)ccc1)C=O	198
+c1(cc(-c2scc(Cl)n2)ccc1)C=O	10224
+c1c(CCO)cc(cc1)C=2C=CC(=O)N(Cc3cc(C(=O)OC)ccc3)N=2	4979
+Clc1cccc(-c2c(F)cccc2OC)c1	11
+Clc1cccc(c1)-c2c(ccc(CO)c2F)OC	11
+Clc1cccc(c1)Oc2cc(OC)ccc2C3CN(C(=O)C3)c4cccc(C(=O)N)c4	472
+Clc1cccc(c1)-c2c(ccc(n2)C(=O)O)OC	119
+Clc1cccc(c1)-c2c(ccc(C)n2)OC	119
+c1ccccc1Cn2ccc3c2cc(-c4cc(Cl)ccc4)cc3	495
+c1nc(ncc1OCC)-c2cc(Cl)ccc2	345
+n1cc(cnc1-c2cc(Cl)ccc2)OCCOC	345
+Clc1cccc(-c2n3c(nc2)ccc(Cl)n3)c1	1414
+c1nc(ncc1)-c2cc(Cl)ccc2	345
+Clc1cccc(c1)-c2c(ncn2C)-c3cc(C#N)ccn3	1234
+O(c1cccc(NC(C)=O)c1)c2cnc(cc2)Cl	10225
+c1ccccc1-n2cnc3c2c(cc(C#N)c3)-c4cc(ccc4)NC(C)=O	4745
+c1cc(ccc1Cl)CN2C(N(c3cc(NC(C)=O)ccc3)N=C(Br)C2=O)=O	4984
+c1(c[nH]c2c1c(ncn2)-c3cc([N+]([O-])=O)ccc3)C(=O)OCC	10226
+c1c(c2c(sc(NC(c3sc(C)cc3)=O)n2)c(c1)-c4cc([N+]([O-])=O)ccc4)OC	10227
+c1cc2c([nH]1)cc(cc2)-c3cc(ccc3)[N+]([O-])=O	495
+c1(OC)c(Br)cc(cc1-c2cc([N+]([O-])=O)ccc2)CCN3C=CC=CC3=O	3022
+c1cc(ccc1C(=O)OCC)-c2ccc(OC)c(-c3cc(ccc3)[N+]([O-])=O)c2	11
+c1cc(ccc1Cc2cc(c3c(CCO3)c2)-c4cc([N+](=O)[O-])ccc4)F	11
+c1(-c2cc([N+]([O-])=O)ccc2)ccnc(Cl)n1	198
+c1c(N)cc(-c2c3nc(Cl)nc(c3sc2)N)cc1	4680
+c12cc(ccc1nc[nH]2)Nc3nc(-c4cc(ccc4)N)cn5ccnc35	356
+n1c(c2c(cccc2)c(n1)O)Cc3cc(c(cc3)F)-c4cc(N)ccc4	11
+c1cc(-c2cc(ccc2)N)ncc1Br	3342
+C1CN(CCN1C)c2ccc(cc2)Nc3ncc4cccc(c4n3)-c5cccc(N)c5	1009
+OB(O)c1cc(ccc1)NC(=O)Nc2ccc(cc2)Cl	124
+C1CN(CCN1c2ccc(cc2)Nc3ncc4cccc(c4n3)-c5cccc(N)c5)C(O)C	1009
+c1cc(ccc1-c2cccc(N)c2)S(=O)(=O)NC	11
+c1ccccc1Nc2c3nccn3cc(-c4cccc(c4)N)n2	356
+c1c(N)cc(-c2ccc3n(cc(NC(C)=O)n3)n2)cc1	519
+c1cc(ccc1OC)-c2cc(O)ccc2	134
+c1cc(ccc1OC)COC=2C(N(C(c3cc(O)ccc3)=NC=2)C)=O	10228
+c1(-c2nc(NC3COCC3)c(c(Cl)n2)C)cc(ccc1)O	345
+[N+]([O-])(=O)c1c(ccc(-c2cc(OCC)ccc2)c1)F	11
+c1cc(ccc1-c2cc(OCC)ccc2)C=O	11
+n1cc(cnc1-c2cc(ccc2)OCC)C(=O)O	345
+n1c(ccc(F)c1-c2c(c(ccc2)F)F)C(=O)O	119
+c1(sc(-c2c3ccccc3ccc2)c(C)n1)C(=O)OCC	2713
+c1cc(ccc1Cl)CN2C(=O)C(Br)=NN(c3c(CO)cccc3)C2=O	4984
+c1c(c(ccc1)F)-c2ncc(cc2)[N+]([O-])=O	119
+c12c(c(c(cc1c3cc(C#N)ccc3o2)F)O)-c4c(cccc4)F	10229
+c1c(c(ccc1)F)-c2nc(c(cc2)[N+]([O-])=O)N	140
+c1cc(ccc1OC)-c2c3c(oc2-c4ccccc4F)ncnc3NCCCCCC(=O)OC	1242
+c1cc(ccc1C)S(=O)(=O)n2c3c(c(-c4c(cccc4)F)c2)cc(-c5cc(C(N6CCOCC6)=O)ccc5)cn3	10230
+C1CCCN1C(=O)Cn2nc(-c3c(cccc3)F)c4c(Cl)c(-c5ccccc5)nnc24	4981
+c1nc(ncc1-c2c(cccc2)F)-n3cc(c4c3cc(C(=O)OC)cc4)SC	537
+c1cnccc1-c2ccccc2[N+](=O)[O-]	835
+Clc1cc2ncc(-c3cc(Cl)ncc3)n2cc1	10231
+CC(=O)c1cccc(c1)-c2ccnc(Cl)c2	498
+c1cc(ccc1-c2ccnc(c2)C)CNc3nccc4cc(ncc34)-c5cc(C)ncc5	1299
+c1cc(ccc1-c2ccnc(C)c2)CN	498
+c1c(nc2ccnc(Cl)c2c1)-c3cc(ncc3)C	10232
+C(c1cc(C)c(-c2cc(F)ncc2)nc1)C(=O)O	1299
+n1c(cc(-c2nc(ccc2)-c3cnc4ccc(nn34)N5CCCC5c6cc(ccc6)F)cc1)F	1238
+Clc1c(-c2c(-c3cc(F)ccc3)nc(cn2)N)ccnc1	3712
+c1([N+]([O-])=O)ccc(Cl)c(-c2c(cncc2)F)c1	498
+c1cc(ccc1)S(=O)(=O)Cc2ccc(c(O)c2C(OCC)=O)-c3ccoc3	1628
+c1c(cc(-c2ccsc2)cc1F)Br	1384
+O(CC)c1cc(-c2cscc2)cc(OCCCCCCc3cccc(c3CCC(OCC)=O)OCCCC(=O)OCC)c1	1384
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(-c3ccsc3)cc(C(C)=O)c2	1384
+O=S(=O)(C)c1cc2[nH]c(-c3ccc(cc3)-c4cscc4)nc2cc1	1384
+c1cc(ccc1CC(O)=O)-c2cscc2	1384
+n1c(OC)ccc(c1)-c2sccc2C	10233
+n1cc(cnc1-c2cnc(OCCCCCC)cc2)Br	10234
+c1nc(ncc1-c2ccc(OCCCCCCCC)nc2)-c3ccc(c(F)c3F)OCc4ccccc4	4985
+c12c(NC(CC)C=3N=C4N(C(=CC=C4)C)C(=O)C=3c5cc(F)cnc5)ncnc1nc[nH]2	10235
+n1cc(-c2cc3c(n[nH]c3cc2)C(Nc4cccnc4)=O)cc(F)c1	305
+c1cc(ccc1O)CCNc2c3c(n(C(C)C)cn3)cc(-c4cc(F)cnc4)n2	10236
+c1ccccc1-c2ccc(Cc3cncc4ccccc34)cn2	10237
+c1(C2=NN(Cc3cc(ccc3)C(=O)OC)C(=O)C=C2C)cnccc1	10238
+c1(C=O)cc(-c2cnccc2)c(cc1)CC	305
+C1CC(CCN1c2c(cncc2Cl)-c3cccnc3)C(N)=O	10239
+C1CCCC(n2c3ccc(-c4cnccc4)cc3c(C(=O)OC)n2)O1	305
+c1(-c2cnccc2)ccc([N+]([O-])=O)c(N)n1	3081
+c1cc(ccc1)C(N2CCNc3ncc(-c4cnccc4)cc23)=O	4763
+c1cc(ccc1-c2cccnc2)-c3[nH]c4c(ccc(S(=O)(=O)C)c4)n3	305
+c1cc(ccc1OCCc2nc(-c3ccc(cc3)-c4cccnc4)oc2C)OC(C)(C)C(OCC)=O	305
+O=C1N(C)c2ccc(-c3cc(cnc3)-c4cnccc4)cc2C1	1168
+n1cc(cnc1N2CCc3c4ccccc4[nH]c3C2c5ccc6c(OCO6)c5)-c7cccnc7	4985
+n1cc(cnc1)-c2cc(C3(c4c(C(N)=N3)nccc4)c5cc(OCCCF)ncc5)ccc2	10240
+n1cc(cnc1)-c2cc3c(C=C(C(OCC)=O)CC(=N3)N)cc2	10241
+c1cc(ccc1NC(c2cc(c(nc2)Cl)-c3cncnc3)=O)OC(F)(F)Cl	10242
+n1cc(cnc1)-c2nccc(Nc3cc([N+](=O)[O-])ccc3C)n2	10243
+c1c(-c2cc3ccccc3o2)ccc4cc(OC)ccc14	3062
+C=CCN(CC=C)S(=O)(=O)c1cnccc1NS(=O)(=O)C=Cc2ccc(cc2)-c3cc4ccccc4o3	3062
+N#Cc1cncc(-c2cc3ccccc3o2)c1Nc4ccc5[nH]ccc5c4C	10244
+c12c(nnc(c1c(N)ccc2)O)Cc3ccc(F)c(c3)-c4occc4	1752
+c1cc(N)c(cc1)-c2ccco2	1752
+c1cc(ccc1)CN2CCC(CC2)Nc3c(cnc(NCc4ccccn4)n3)-c5ccco5	10245
+c1cc(ccc1C(=O)N(C(C)C)Cc2ccccc2O)-c3occc3	1752
+c1ncn(c1)Cc2cnc(cc2)-c3sc4c(cccc4)c3	10246
+c1(ccc2cc(ccc2c1Br)-c3sc4c(cccc4)c3)OCC#N	2187
+c1(ccc2cc(ccc2c1Br)-c3sc4c(cccc4)c3)OCC(=O)OCC	2187
+N=1C(=CC(=O)N(C=1N)C)CCc2cccc(-c3cccs3)c2	809
+C1c2c(C(=O)N1C)ccc(-c3cccs3)c2	809
+Nc1cc(-c2cccs2)ccc1[N+]([O-])=O	809
+c1cc(ccc1C(CC2CCCC2)C(=O)Nc3sccn3)-c4sccc4	809
+c1cc(ccc1O)CNc2c(ncc(n2)-c3cccs3)N	10247
+c1cc(ccc1OC)-c2sccc2	809
+c1cc(c2c(c1)C(=O)C(C)C2)-c3ccccn3	214
+Brc1c(Br)cc2c(c1)NC(=O)C(=O)N2	2966
+C(C1C(CCCC1)C(NCC#N)=O)O	21
+c1(F)c(cc(c(Br)c1)F)CCC(=O)O	159
+c1cc(CCC(=O)O)cc(C)c1C	159
+c1cc(ccc1Cl)-c2c(OCCCCC(=O)O)ncc(c2)C(=O)NC3CCCCC3O	10248
+c1ccccc1CN(C(=O)c2c(N)cc3c(cccc3)c2)CCC(OCC)=O	30
+c12ccsc1c3c(cn2)nc(C(C)O)n3C4COCCC4	10249
+C(CC)(CC(C(N)=O)=O)C([N+]([O-])=O)C	1363
+c1cc2-c3c(cccc3)C(NC(=O)C(O)C)C(=O)Nc2cc1	207
+CC(C)CC(C(O)CCC)C(=O)OC	2616
+c1cc(ccc1Cc2ccc(cc2)CN3CCOCC3)C(=O)NC(C(=O)OC)C(O)C	259
+c1ccccc1COC(=O)N2CCCC2(Cc3ccccc3)C(NC(C(OC)=O)C(C)O)=O	188
+c1ccccc1COc2c(C(=O)NC(C(OC)=O)C(O)C)ccc([N+]([O-])=O)c2	3401
+O=C(O)C(C(C)O)Nc1ccc(C#N)c(Cl)c1C	945
+N(c1cc(Cl)c(cc1)C#N)C(C(C)O)C(=O)O	945
+c1ccccc1CCCOC(=O)NC(C(O)=O)C(O)C	544
+c1cc(ccc1)CNC(CC)C(O)C	42
+c1(cc(F)c(cc1)F)C(N)C(C)O	840
+c1cc(ncc1Br)C2=NOC(CNC(C)=O)C2	10250
+c1nc(n2c1cncc2)CCSC(=O)C	4893
+c1cc(ccc1-c2noc(C(C)O)c2)F	1814
+C(C)(O)C#Cc1n2c(nc1)ccc(Br)n2	10251
+c1ccccc1COC=2C(=O)C=C(OC=2C(O)C)C	3130
+c1ccccc1COC2=C(C(O)C)OC=CC2=O	3130
+C(CCO)CCC(O)C	21
+c1(cc(ccc1O)Nc2c3c(cccc3OC(CN)C)ncn2)Cl	1111
+c1c(Br)cc2CN(C(c2c1)=O)CC(O)C	10252
+c1cc(ccc1Cl)CCNCC(O)C	132
+c1cc(ccc1F)Cc2cnc3C(O)=C(C(=O)N(CC)c3c2)C(=O)NCC(O)C	1112
+c1cc(ccc1)-c2c3c(cn2CC(C)O)N(C)C(N(C3=O)C)=O	10253
+C1(c2c(C(=O)N1C(C)C3=C(Br)C(N4C(C)=CC=CC4=N3)=O)cccc2)=O	4798
+o1nc(cc1-c2cc(CCC(=O)C)ccc2)C(=O)OC	10254
+c1cccc(CC(OC)=O)c1OC(C=C)CC	10255
+c1cc(ccn1)C(Cn2c3c(c4cc(ccc24)C)CN(CC(O)C)CC3)O	28
+c1ccccc1COC(NCCC(=O)NCC(O)CC)=O	9
+n1cc(OC)cc(c1)C=CCC(O)C	1514
+CCCCC(=O)CC=CI	10256
+N(CC(O)CCC)c1nc(N)nc2CCCCc12	40
+CCCCC(=O)C#CC	10257
+c1cc(ccc1C)S(=O)(=O)OCCC(C)O	36
+s1cc(CCC=O)nc1	1156
+c1ccccc1C(=O)OC2C(CN(CC(O)CC#N)CC2)F	53
+OC(CN(CC(O)=O)CCNCC(=O)O)=O	3
+c1cc(ccc1-c2cncc(C#N)c2)C(C)(C)C(=O)NCC(c3occc3)O	9
+c1cc(ccc1Cl)CNC(C=2C(c3cc(CN(CC(c4cccn4C)O)C)sc3N(C=2)C)=O)=O	822
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(sc(CN(CC(c4occc4)O)C)c3)N(CC)C=2)=O	822
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(O)CC(OCC)=O	604
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(C(NCC(CO)O)=O)cnn14	1339
+c1cc(ccc1Br)OCc2csc3c(C(=O)NCC(CO)O)cnc(N)c23	2443
+c1c2c(ccc1)nc3c(cccc3)c2NCC(CO)O	105
+O1C(CO)CNC(C1)=O	467
+c1cc(ccc1OCc2ccccc2)CCCCn3c(ncc3)CC(O)CO	4452
+c1c(C#N)cc(OC(COC)C)cc1Br	57
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3[nH]c(C(OCC)=O)cc3c2	1346
+O=S(=O)(OC(COC)CC)c1ccc(cc1)C	36
+c1c(I)cc(c(Nc2c(C(NOCC(O)C)=O)ccc3cncn23)c1)F	1546
+c1cc(c(NC(Cc2c(cccc2)-n3nnnc3)=O)c([N+]([O-])=O)c1)O	33
+c1cc(ccc1C#N)CCNC(Cn2cnc3N(C(N(C)C(c23)=O)=O)C)=O	9
+c1(c(cccc1NC(=O)C2N(CC(C2)F)C(=O)Cn3nc(C(N)=O)c4ccccc34)-c5c(Cl)cc(c(F)c5)F)F	348
+c12nnc(C)n1nc(-c3ccccc3F)cn2	4743
+c1cc(ccc1-c2c(C3=NOC(=O)N3)cccc2)CC=4C(N(c5n(C=4CCC)nc(C)n5)C(COC)C)=O	618
+c1cc(ccc1CC2=C(n3ncnc3N(CC(=O)N)C2=O)CCC)-c4c(C5=NOC(=O)N5)cccc4	618
+c1cc(ccc1N2C=NC(=C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)C2=O)CCC)OC(C)C	618
+c1cc(ccc1OC)C(CN2C(C=C(CCC)N(C2=O)Cc3ccc(cc3)-c4c(cccc4)C5=NOC(=O)N5)=O)=O	1671
+c1cc(ccc1CN2C(=O)C(c3ccccc3)=C(N=C2SCC)C)-c4c(cccc4)C5=NOC(=O)N5	1671
+c1cc(ccc1)C(c2ccccc2)(C(N)=O)CC3CCN(CC3)Cc4ccccc4	3797
+[O-][NH+]1C=2C(=O)c3ccccc3C=CC=2C=CC1=O	10258
+N(C(C=C(OC)C)=O)c1cc([N+]([O-])=O)ccc1	10259
+Brc1ncc(c(C(=O)C)c1)F	155
+C(O)(c1c(N)cc2c(OCO2)c1)=O	0
+c1ccccc1COC(C)c2cc(c(nc2)SC)Cl	149
+C(c1cc2c(cc1)n(C)nn2)(=O)c3cc(OCC)c(OC)cc3	335
+C(CCCC)CCOc1ccc2c(ncc(C(C)=O)c2)c1	716
+c1cc(ccc1CCC(NCC(c2cccnc2)O)=O)Br	9
+CCC(c1cccnc1F)=O	716
+Nc1nccc(c1)C(Oc2ccc([N+](=O)[O-])c3ccccc23)C	57
+CCOC(c1c2-c3c(cccc3)Oc4c(cccc4)-c2cs1)=O	4973
+c1cc(ccc1C)S(=O)(=O)OCCSC2CCC3(C)C(CCC4C5(CCC(c6ccoc6)C5(CCC34)C)O)C2	36
+c1cc(ccc1F)CN(OCC(=O)N(C)C)C(C=2CN(C)C(C=2O)=O)=O	4902
+c12c(ccc(c1)O)cco2	10260
+c1(C=O)cc2c(cc1)C(O)CCC2	39
+C(N(CCC#N)CCCO)=O	1003
+C(n1cnc2cc(ccc12)C(=O)OC)CCl	1449
+c1(cc2c(n(cn2)CCNC(C)=O)cc1)-c3nnc(O)cc3	1449
+c1([nH]c2c(cccc2)n1)-c3n[nH]c4c3cc(C=O)cc4	10261
+c1(c(C)cccc1)Nc2c(C(OC)=O)cc3[nH]cnc3c2F	3132
+c1c(-c2cnn(C)c2)ccc(NC=O)c1C	753
+c1cccc2CN(C=O)CCOc12	1003
+c1(ccc2c(oc(SC)n2)c1)Cn3cnc4c3cc(Cl)c(Br)c4	1449
+c12[nH]cnc1c(N)cc(c2)Br	631
+c12c(ccc(c1)O)ncn2C	10262
+O=Cc1c(c(c(N)c(F)c1)Br)F	1543
+c1c(cc2n(cnc2c1)Cc3cncc(F)c3)Br	1449
+c1(C=O)cc2c(cc1)nc(NC)nc2OCC	10263
+c1c2c(CCCNCCOc3cccc4c3[nH]cn4)c[nH]c2ccc1	631
+c1cc(ccc1)-c2oc3c(c(O)ncn3)c2-c4ccccc4	10264
+c1cc(ccc1)Cn2c3c(c(-c4ccccc4)cc(NC)c3)nc2	10265
+c1cc(ccc1)C2c3c(CCN(C2)C)c(c(OC)cc3)[N+](=O)[O-]	2195
+c1cc(ccc1)CN2c3ccc(C=O)cc3-c4ccccc4C2=O	1543
+c1cc(ccc1)NC=O	753
+c1ccccc1Nc2c(c3[nH]cnc3cc2C(OC)=O)F	3132
+c1ccccc1SC(CNC=O)c2c3ccccc3ccc2OC	707
+c1cc(ccc1F)C(=O)C2CCN(CC2)C	2195
+c1cc(ccc1Cl)NC=O	753
+c1cc(ccc1I)NC=O	2887
+c1cc(ccc1NC(=O)Nc2ccncc2)-c3nc(N4CC5CCC(C4)O5)nc(N6CCN(CC6)C)n3	2195
+c1cc(ccc1OCCNC=O)-c2c(C#N)c3c(n2CC)cc(cc3)OC	707
+c1cc(ccc1NC=O)[N+](=O)[O-]	753
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CNC=O	707
+c1ccccc1COc2cc(CC(NC=O)CC)ccc2OC	707
+c1ccccc1COc2c(cc(cc2)CCN)NC=O	2887
+c1ccccc1COc2cccnc2CNC=O	707
+c1cnc(Cl)c(CNC=O)n1	707
+c1cnccc1COc2cc(C=O)ccc2	1543
+C(C(C=O)CC)Sc1ccccc1OC	24
+C(O)C(CO)(C)NCc1cc2c3ccccc3ccc2c4ccccc14	370
+C1(=O)COCC(c2cc(ccc2)Br)(CO)N1	467
+n1c(Br)cc(C2(COCC(=O)N2)CO)cc1	467
+C1(=O)COCC(c2nc(ccc2)Br)(CO)N1	467
+OCC(CO)(c1ccc(cc1)NC(=O)Oc2ccccc2)O	90
+C(O)C(CO)(N)c1cccc(Br)c1	157
+OCC(CO)(O)c1ccc(cc1)N	0
+C(O)C(CO)Nc1nc2c(C=CC(=O)N2c3ccc(cc3F)F)c(Cl)n1	306
+c1cc(ccc1C(N2CCN(CC2)c3c(cccn3)NC(C)C)=O)C(=O)NC(CO)CO	513
+c1ccccc1C=Cc2cc(-c3cc4c([nH]3)nc(NC(CO)CO)nc4O)ccn2	785
+c1ccccc1COCC2C(CO)CC=CC2	555
+c1cc(ccc1F)COCC2n3c(COC2)nc4cnc5ccccc5c34	149
+c1cc(ccc1S(=O)(=O)OCC2Oc3ccccc3-c4n(C2)c5c(cccc5)n4)C	36
+O=C(CN1CCCC1=O)N2CCCC2C(N3CCCC3C=O)=O	24
+O(C(=O)CCCCCCN1C(C=O)CCCC1=O)C	24
+c1ccccc1C(NC=2C=CN(C3C(O)C(C(O3)CO)O)C(N=2)=O)=O	10266
+c1cc(ccc1S(=O)(=O)OCCC2COc3c(cccc3)O2)C	36
+c1nc(ncc1OCCC=CCCCC)-c2ccc(cc2)CCCCCOCCC	1897
+C(CCCN1C(=O)c2c(nc(n2CC=C)Cl)N(CCCC)C1=O)O	1474
+c1cc(ccc1C)S(=O)(=O)OCCCCCCO	36
+C(CCCCl)OC(=O)Nc1ccc([N+]([O-])=O)cc1C	589
+c1c([n+](ccc1)[O-])NCCCCO	1911
+C(NCCCCO)(c1ccc2ccccc2c1)=O	93
+N#CC(C#N)=C1N(CCN1)CCCO	10267
+O1CCOC1c2ccc(c(Cl)c2)Oc3cc([N+]([O-])=O)c(N)cc3	1435
+C1COC(O1)(C)Cc2cc([N+]([O-])=O)ccc2	381
+c1cc(C#N)cc([N+]([O-])=O)c1OCCO	57
+O1CCOC12CC(CC2)c3c(F)cc(c(c3)F)Br	381
+C1COC(O1)c2c([N+](=O)[O-])cc(F)cn2	4986
+C1COC(O1)c2ncccc2[N+]([O-])=O	4986
+c12c(C(=O)N(C1=O)CCCCCCC3(OCCO3)C)cccc2	381
+c1c(c(c(I)cc1C(=O)OCC)OCCO)Br	126
+c1c(C)nc(cc1)-c2[n+]([O-])c(C)cc(OCCO)c2	1210
+c1c(I)c(cc(c1Cl)Cl)Oc2cc(ccn2)OCCO	260
+O1CCOC1c2c(OC)ccc([N+](=O)[O-])c2	1435
+C1COC(O1)c2cc(OCCOCCOCCOCCN=[N+]=[N-])c(OC)c(c2)OC	10268
+C1COC(O1)(CC(=O)OCC)c2cc(Br)ccc2F	10269
+C1COC(O1)CCc2cc3nc(oc3cc2)Cc4cc5c(cc4)cccc5	2881
+c1cc(OC)cc(OC)c1C(CCCCC)CC(O)=O	1746
+O1CCOC1(c2oc3c(c(ccc3OC)[N+](=O)[O-])c2)C	10270
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)SC=Cc4scnc4COCCO	10271
+c1cc(ccc1C)-c2c(ncnc2OCCO)N	145
+c1cc(ccc1C2(OCCO2)C)[N+](=O)[O-]	3104
+C1CC(CCC1C2(OCCO2)c3ccc(cc3)Cl)C(=O)N(OC)C	3104
+O=S(=O)(CCC)Nc1c(c(OCCO)ncn1)-c2ccc(cc2)C	145
+O=S(=O)(CCc1ccccc1)Nc2c(c(OCCO)ncn2)-c3ccc(cc3)C	145
+c1cc(ccc1-c2c(ncnc2NS(=O)(=O)Nc3ccc(cc3)C)OCCO)C	145
+c1cc(ccc1C)S(=O)(=O)N2c3ccccc3C(CCC2)CC(=O)O	1746
+O1CCOC1c2ccc(cc2)Oc3ccc([N+](=O)[O-])c(c3)C	1435
+O1CCOC1c2ccc3oc(C(=O)c4ccc(cc4)F)cc3c2	1435
+O1CCOC1CN2C(=O)C(NC(=O)Nc3ccc(cc3)C)(c4ccccc24)CC(Nc5ccc(cc5)C)=O	2881
+c1cc(ccc1[N+]([O-])=O)OC(C)C(OCCO)=O	456
+C1COC2(O1)CCN(S(=O)(=O)c3ccc(cc3)C#N)C2	381
+c12c(ccs1)cc(C(O)COCCO)cc2	850
+c1cc(ccc1)C(CC(O)=O)Cc2c(cccc2)OC	1746
+CC(C)(C(=O)O)Cc1ccccc1	1746
+O1CCOC1(CC(Cc2ccccc2)N3C(=O)c4ccccc4C3=O)C	381
+c1ccccc1CCS(=O)(=O)Nc2c(Oc3cc(OC)ccc3)c(nc(N4CCOCC4)n2)OCCO	145
+c1cnccc1-c2nc(OCCO)c(Oc3c(OC)cccc3)c(n2)NS(=O)(=O)CCc4ccccc4	145
+c1ccccc1CN2CCC(CC2)N(C(C)C)C(CCCOCCO)=O	649
+c1ccccc1COCCC(C2OCCO2)CC=C	10272
+c1ccccc1COCCCCC2(CCCC3(OCCO3)CO2)C	381
+O=S(=O)(c1ccccc1)Cc2c(ccc(c2)OCCO)[N+](=O)[O-]	57
+c1c2ccccc2cc(CCN=[N+]=[N-])n1	600
+c1c(cnc(c1)OCc2c(onc2-c3c(cccc3)F)C)C(=O)OC	91
+c1(Cl)cccc(Cl)c1-c2nc3c(s2)c(ncc3)Nc4cc(CO)ncn4	4925
+O=C1c2ccccc2C(=O)N1Cc3ncnc(c3)N	2181
+O=Cc1ncc(cc1)C(=O)OC	178
+O=Cc1nc2c(cc1)cc(cc2Br)F	178
+c1(cccc(F)c1)COc2nc3c(C(NCC3)=O)cc2	91
+O=Cc1ncc(nc1)Cl	614
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3cocn3	328
+C(c1nccc(c1C)SCc2ccco2)S(=O)c3[nH]c4c(n3)cccc4	10273
+Oc1c(ccc(O)c1Cl)C(=O)C	10274
+c1c2c(sc3c2cc(cc3)C(=O)O)ccc1	10275
+c12-c3c(cccc3)C(c1cccc2)COC(N4C(C)CCC(C4)C(=O)O)=O	1405
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)CCC(=O)O)cnc23	10276
+c1cc(ccc1C2(CCC2)C(O)=O)-c3c(cc4[nH]cc(C(=O)O)c4c3)Cl	1451
+c1cc(ccc1CC(=O)N2CCC2)-c3c(Cl)cc4c(c(C(O)=O)c[nH]4)c3	1451
+c1cc(ccc1-c2c(Cl)cc3c(c(C(O)=O)c[nH]3)c2)CO	1451
+c1cc(ccc1OCCN2CCOCC2)-c3c(Cl)cc4c(c(C(O)=O)c[nH]4)c3	1451
+c1cc(ccc1OCCO)-c2c(c3c(c[nH]c3cc2F)C(=O)O)F	1451
+C(Cn1cnc2cccc(c12)F)(=O)O	1405
+n1ccnn1-c2c(C(N3CC(C(O)=O)CCC3C)=O)cccc2	1405
+S(c1cc(ccc1)C(c2n(C)nnn2)=NO)C	10277
+[N-]=[N+]=NC1CCc2c(ccc(c2)C(NO)=N)C1O	181
+N(O)C(c1cc2nc(-c3c(Cl)ccc([N+]([O-])=O)c3)[nH]c2cc1)=N	181
+c1c(Br)c(c(cc1C(=N)NO)Br)O	181
+C(CC(c1cc(C)ncc1)=NO)(c2ccccc2C)c3cccc(-c4cccc(c4)C(O)=O)c3	189
+c1(C)cc(ccc1F)C(OC)CC(CC=C)C(=O)NO	909
+c1(C)cc(nc(Cl)n1)C(NO)=N	958
+c1(C)cc(nc(Cl)n1)C=NO	688
+[nH]1c2nccc(-c3ccc(C)cc3C)c2c(C=NO)c1	506
+c1cc(cc(C)c1OCOC)C=NO	135
+c1(C)cc(ccc1[N+]([O-])=O)C=NO	135
+Clc1cc(ccc1C)C=NO	135
+c1c(c(cc(c1)C=NO)OCC)OCc2ccc(nc2)OC	135
+c1(cc(ccc1)-n2nc(C(=O)OC)c3cc(C#N)ccc23)Br	1421
+c1(NO)nc2c(c(n1)N)cccc2	10278
+ON=C(C(OC)=O)c1ccccc1O	4069
+N(O)C(c1c(cc2n[nH]cc2c1)F)=N	181
+N(O)C(=N)c1c(CC)c(Br)ccc1	181
+c12cc(OC)c(OC)cc1nc(Cl)c(C=NO)c2	506
+c1(ccccc1OC)C(=NO)N	253
+c12c(C)ccc([N+]([O-])=O)c1[nH]cc2C#N	4934
+[nH]1c2c(c(C=NO)c1)c(ncn2)Cl	506
+N(O)C(c1cc(-c2cc(F)ccc2)nc(n1)C)=N	958
+Cc1cc(cc(C)c1OCC(O)=O)C(=NO)c2cccs2	10279
+c1cc(ccc1OCCCOc2c(cc(cc2Cl)OCC=C(Cl)Cl)Cl)C(NO)=N	181
+c1(ccc(C(=O)NCc2c(OCC(=O)NC)cc(C(NO)=N)cc2)cc1C)F	181
+OC(C(c1cc(F)c(cc1)F)=NO)C	189
+C1(CC(c2ccc(OCOC)cc2OCOC)CCC1)C(NO)=O	293
+c1cc(F)c(Cl)c(C=NO)c1F	135
+c1(ccc(cc1Cl)NCC(=O)NO)Cl	1376
+c1(ccc2c([nH]c(-c3cccc4c3-c5c(C4=NO)cccc5)n2)c1)Cl	1205
+c1(ccccc1Cl)Oc2cc(c(cc2)C(=NO)C)Cl	189
+ON=C(c1ccnc(C)c1)C	189
+c1(nc2cc(C=NO)c(Cl)nc2n1C)C	506
+c1-2ccccc1N(CC)C(c3cc(cn-23)C=NO)=O	506
+C1CC(=NO)c2ccccc12	189
+c12[nH]cnc1ccc(c2)C(NO)=N	181
+C1(=NO)c2c(c(F)ccc2)OCC1	189
+c12OCCCC(=NO)c1cccc2	189
+c12c(cccc1)CN(C2)C(=O)Nc3ccc(cc3)C(NO)=N	253
+c12c(cccc1n(nc2)CCC(OCC)=O)C(NO)=N	181
+c12C(=NO)CCc1cc(CCCCCC)c(OCCCC(=O)O)c2	189
+c1(N)cc(-c2cc3ccncc3cc2)no1	10280
+c12n(c(C(=O)OCC)c(c1cc(F)cc2)C=NO)Cc3c4c(cccc4)ccc3	506
+c12nn(C)cc1c(ccc2)C3CC3C=NO	410
+c1c(Br)cc2CCC(=NO)Cc2c1	350
+N(O)C(=N)c1cnncc1	3106
+C(C)CCC(c1cc(c(OC)cc1)OC)=NO	189
+c1c(C)cc(cc1OCC(C)=NO)C	350
+Fc1cc(cc(F)c1C=NO)C#N	135
+c1c(c(ccc1F)C(=NO)c2cccc(OC)c2)F	1205
+c1c(cc(c(c1)O)C(NO)=O)Br	1133
+C1(=NO)c2c3ccc(cc3n(c2CCC1)C)Br	1375
+c1c(nc(C(C)=NO)cc1)C	1213
+c1c(oc2c1cc(cc2)C(NO)=N)CO	181
+c1cccc2c(C=NO)ccc(Br)c12	135
+c1cc(c(cc1)N2C(=O)C(C=NO)=C(C=C2)Cl)C	10281
+c1cc(c(cc1C(=NOC)CCC(=N)NO)Cl)Cl	409
+c1cc(cc(c1OC)C(NO)=N)F	181
+c1cc(cc(C(c2c(c(-c3cnccc3C)ccn2)F)=NO)c1OC)F	4158
+c1cc(ccc1)-c2c(cc(C(C)c3cc(N)on3)cc2)F	2459
+c1cc(ccc1)-n2cc(c(-c3ccc([N+](=O)[O-])o3)n2)C=NO	4938
+c1ccccc1C(c2cncn2C)=NO	10282
+c1cc(ccc1)C(c2ccccc2)C(=O)Nc3c(O)nc(nc3)C=NO	4584
+c1ccccc1C23C(CCc4c(nc(-c5ccccc5OC)nc24)OC)C(c6oncc6C3)C	4987
+c1ccccc1CC(c2ccc(c(C)c2)OCC(=O)OCC)=NO	189
+c1ccccc1CC=NO	410
+c1cc(ccc1)CN2CCC(C(C)=NO)C(C2)c3ccc(cc3)Cl	350
+c1cc(ccc1)CN2C(=O)CC(C2)C(C)=NO	350
+c1cc(ccc1)CNC(=O)c2cccc(-c3cccc(C(NO)=O)c3)c2	1133
+c1cc(ccc1)-c2c(c3c(C(CN(Cc4ccccc4)C3)C)n2Cc5ccccc5)C=NO	506
+c1cc(ccc1)NCCC(=N)NO	409
+c1cc(ccc1)S(=O)(=O)CC=CC=CC(=O)NO	10283
+c1cc(ccc1F)-c2c3n(nc(NC(=O)OCC)n3)ccc2	977
+c1cc(ccc1-c2cc(F)ccc2)C(CCC(O)=O)=NO	189
+c1cc(ccc1C(N(C)C(C(NC)=O)C(=O)NO)=O)-c2ccc(cc2)COC	10284
+c1cc(ccc1C(NO)=N)-c2oc(cc2)Br	181
+c1cc(ccc1C(Cc2ccc(SC)c(F)c2)=NO)Br	189
+c1cc(ccc1C(CC(=NO)c2ccnc(C)c2)c3ccccc3C)Br	189
+c1cc(ccc1C#CC#CCO)C(=O)NC(C(=O)NO)C(N)C	909
+c1cc(ccc1C#Cc2cc(F)ccc2)C(=N)NO	181
+c1cc(ccc1C(=N)NO)-c2nc3c([nH]2)cccc3	253
+c1cc(ccc1C(NO)=N)C2CC3(C(N(C(N3)=O)C)=O)CC2	253
+c1cc(ccc1C(=NO)N)CCO	253
+O=S(=O)(N(Cc1ccc(cc1)C(=NO)N)C2C(NCCCC2)=O)c3ccc(cc3)Cl	253
+c1cc(ccc1I)C(=NO)N	253
+c1cc(ccc1C(=NO)N)Oc2ccccn2	253
+c1cc(ccc1[N+](=O)[O-])C(N)=NO	253
+c1cc(ccc1C(CC)=NO)OCC(OCC)=O	189
+c1cc(ccc1C(c2c(F)cc(F)cc2)=NO)OC	1205
+c1cc(ccc1OCOC)C(CCC)=NO	189
+c1cc(ccc1SCCNC(=O)c2oc3c(cccc3)c2)C(NO)=O	1133
+c1cc(ccc1C)S(=O)(=O)n2c3cccc(C=NO)c3cc2	135
+C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3	409
+c1cc(ccc1C=2C=CC(N(Cc3cc(NC(OCC)=O)ccc3)N=2)=O)C(NO)=N	181
+c1cc(ccc1C)C=NO	135
+c1cc(ccc1F)C=NO	135
+c1cc(ccc1NCCCCCCCCCCCCCCCC)C=NO	135
+c1cc(ccc1C(=NO)N)CC(=O)OC	253
+c1cc(ccc1Cc2c3c4c(cnc(c4COC)C=NO)[nH]c3ccc2)Cl	688
+C1COCCN1Cc2ccc(cc2)Cc3ccc(cc3)C(=O)NC(C(=O)NO)C(O)C	909
+c1ccccc1COC(=O)N2CCCC2c3onc(C)c3Cc4ccc(cc4)Cl	10285
+c1cc(ccc1-c2onc(C(=O)OCC)c2)F	1208
+c1cc(ccc1C(Cc2nc(ccc2)Cl)=NO)F	189
+c1cc(ccc1F)C(=O)N2CCCC(C(N)=NO)C2	609
+c1cc(ccc1CC(=N)NO)F	409
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4c3cc(cc4)C=NO	135
+c1ccccc1C(Nc2ccc(cc2)Cc3cn(C)c4ccc(C(=O)NO)cc34)=O	514
+c1cc(ccc1NCCCCCC(=NO)CCCCCCCCCC)C(OCC)=O	350
+c1cc(ccc1OC)S(=O)(=O)N2C(C(NO)=O)C(CCCC2)COC(C)=O	293
+c1cc(ccc1OCCCC(=O)O)-c2ccc(cc2)C(N)=NO	253
+c1cc(ccc1OCCCCCC)S(=O)(=O)N(CC(NO)=O)CC(C)C	1376
+c1cc(ccc1OCCN2C(Sc3c2ccc(C(c4ccccc4)=NO)c3)=O)OC(C)(C)C(OCC)=O	1205
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=NO	135
+c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)NC(=O)C4C(C(=O)NO)CC5(CC5)CN4C	293
+c1cc(ccc1OCc2cccc(F)c2)N3C(=O)CC(C(N)=NO)C3	609
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)C=NO	135
+c1cc(ccc1)COc2cc(c(c(c2)OCc3ccccc3)C(C)=NO)Oc4ccc(cc4)[N+]([O-])=O	189
+c1cc(ccc1Oc2c(ccc(F)c2)Br)C=NO	135
+c1cc(ccc1C(N)=NO)Oc2cc(cc(c2)OC(C)COC)C(=O)Nc3nn(C)cc3	253
+c1cc(ccc1OC)Oc2cccc(C=NO)c2	135
+c1cc(ccc1Oc2c(cccc2)C=CC(NO)=O)Cl	10286
+c1cc(ccc1S(=O)(=O)C)OCC(NO)=N	409
+c1cc(ccc1OCC#CCCOC2OCCCC2)S(=O)(=O)N3C(C(NO)=O)C(C)(C)SCC3	293
+c1cc(ccc1Sc2ccc(cc2)C(=O)NC(C(O)C)C(=O)NO)CN3CCOCC3	909
+c1cc(ccc1C=NO)Sc2ccccc2	135
+c1cc(ncc1Br)C=NO	688
+c1cc2c(cc1F)c(cnc2N)C(C)=NO	1375
+N(O)C(c1cccc2c1cc[nH]2)=N	181
+N(C(c1cc(C(=O)O)ccc1)=N)O	181
+N(O)C(c1c2CCCC(O)c2ccc1)=N	181
+N(=C1c2ccccc2CCC1)O	189
+c1cc(ccc1)-c2c(oc3cccc3c2)CC(=O)NO	1376
+c1ccccc1-c2nn(c3c2CCC4C(c5oncc5CC34c6ccccc6)C)C	4987
+c1cc(ccc1)-c2noc3c(c(O)ccc23)CCC	10287
+c1cc(ccc1)C(CC(C)C)=NO	189
+c1ccccc1C(F)(F)C(NO)=N	609
+c1cc(ccc1CCC(NO)=O)NC(c2ccccc2)=O	293
+c1ccccc1CC(NO)=N	409
+c1cc(ccc1SC)C(=NO)Cc2ccccc2	189
+c1cc(ccc1CC(C(=O)NC(C(OC)=O)C2CCCCC2)C(=O)NCc3ccccc3)C(N)=NO	253
+C1CC1CC(NC(=O)OCc2ccccc2)(C)C(NO)=N	409
+c1ccccc1COCC(OCC=NO)CC=C	410
+c1cc(ccc1)COc2cc(cc(Oc3ccc(cc3)[N+]([O-])=O)c2-c4onc(C(OCC)=O)c4)OCc5ccccc5	1208
+c1ccccc1COc2ccc(cc2)-n3c(C)c(C=NO)c4cc(F)ccc34	506
+c1ccccc1COc2cc3c(OC(C)(C)CC3=NO)cc2	189
+c1cccn2c1ncc2C(Nc3c(C)ccc(c3)C(NO)=N)=O	181
+c1cnccc1C(=NO)c2c(F)cc(F)cc2	1205
+c1cnccc1Oc2ccc(cc2)C(N)=NO	253
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)C(NO)=N	2269
+c1nc(c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C)C(NO)=N	2269
+c1nc(C(NO)=N)c2n1-c3ccc(cc3C(N4C2CC4)=O)F	2269
+N(O)C(c1cc2c(n(nc2)CCCC(OCC)=O)cc1C)=N	181
+N(O)C(=N)c1c2cc[nH]c2cnc1	3106
+c1ccccc1Cc2cccc(-c3nc(c(c(N)n3)N=O)O)c2	10288
+c1ccccc1Cc2onc(c2)C(OCC)=O	10289
+C1(c2cc(I)ccc2)ON=C(C(CCl)=O)C1	10290
+N#Cc1cc2nccc(Cl)c2s1	10291
+C1(C(N=O)=C(N(C(=S)N1)c2cc(CC)ccc2)N)=O	1882
+c1cc(ccc1CO)N=Nc2ccc(cc2OC)N(C)CCCN=[N+]=[N-]	725
+Clc1cc(cc(Cl)c1)N2C(N)=C(N=O)C(=O)NC2=S	863
+c1(nnnc2c1ccs2)O	10292
+n1n(CC=C)c2ccc(C#N)cc2n1	10293
+C(c1cc2c(cc1)n(nn2)CCCC)(=O)O	2183
+c1([nH]c2c(cccc2)n1)CN3C(=C(N)C(NC3=S)=O)N	3088
+c1cc(cc(c1Oc2cc3c[nH]nc3cc2)C#N)F	1559
+c1n[nH]c2cnc3cc(OC)c(OC)cc3c12	4988
+c1(c2ccc(cc2nnn1)F)O	10294
+n1c(C)ccc(CC)c1O	3021
+O(C)CCOc1ccc2c([n+](nc(O)n2)[O-])c1	10295
+c12cc(C(=O)O)ccc1[nH]nc2C=O	3135
+c12cc(NN)ccc1c(ccc2)OC	427
+N1(c2cc3c(cccc3)nc2)C(N)=C(C(=O)NC1=S)N=O	863
+C(c1c[nH]c2ncccc12)n3nnc4c3nc(cn4)Br	3545
+c1c(Cl)cc(cc1Sc2ccc3c(c([nH]n3)N)n2)Cl	10296
+Ic1cc(cc(I)c1)NN	427
+c1c(ccc(Oc2cc3nn[nH]c3cc2Br)c1F)F	1714
+c1cc2c(c(c1OC)OC)OC(=CC2=O)c3cc4c(cc3)[nH]nn4	1714
+O=[N+](c1cc(C)c(C)cc1OC)[O-]	2026
+n1[nH]c2CCCc3cc([N+]([O-])=O)cc1c23	10297
+c1c(OC)ccc(c1F)NN	427
+n1[nH]c2c(ccc(c2)Br)c1C=O	3135
+c12cc(ccc1[nH]nc2C=O)Br	3135
+c1(c([N+]([O-])=O)cc2NC(CCc2c1)=O)OC	2026
+c1cc(ccc1)-c2cc3c(c(O)nnn3)s2	10298
+c1cc(ccc1)CNC2CCc3ccc(O)cc3C=C2	956
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3ccc4[nH]nc(S(=O)(=O)c5c6c(ccc5)cccc6)c4c3	1025
+c1cc(ccc1N=Nc2ccc(cc2)O)CO	725
+c1cc(ccc1-c2c(nc(N)nc2COCc3ccccc3)N)O	956
+c1cc(ccc1-c2cn3c(ccc(c3)I)n2)NN	427
+c1cc(ccc1F)C(C(c2ccnc(Cl)c2)=NO)=O	10299
+c1cc(ccc1C)N(N=O)CCc2ccc(nc2)Cl	2708
+c1cc(ccc1C)S(=O)(=O)OCCCOc2ccc3c(c2)c(n[nH]3)S(=O)(=O)c4cccc5ccccc45	1025
+c1cc(ccc1CN2C(=O)N(C(N)=C(C2=O)N=O)C)OC	863
+c1cc(ccc1CN2CCC(CC2)n3c4c(nc3C)cccc4)-c5nc6nn[nH]c6cc5-c7ccccc7	10300
+c1cc(ccc1O)C23CC2CN(C3)C(C)=O	606
+c1cc(ccc1F)S(=O)(=O)c2ccc(cc2)NN	427
+c1cc(ccc1S(=O)(=O)n2ccc3c2C(=O)N(C=C3c4ccc5c([nH]nn5)c4Oc6ccc(F)cc6F)C)C	1714
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(=O)C(C(=O)CBr)=NO)=O	10301
+c1c2c(ccc1)c([N+](=O)[O-])cnc2O	10302
+S(CCOc1ccccc1NN)C	427
+c1ccccc1S(=O)(=O)c2c3c([nH]n2)ccc(OCCOS(=O)(=O)c4ccc(cc4)C)c3	1025
+n1c(SC)nc(c(N=O)c1N)O	10303
+c12[nH]nnc1cc(Cl)nc2	10304
+c1cnc(Cl)c2n1nnn2	10305
+O=S(Cc1c(F)cccc1Cl)c2[nH]c3c(cncc3)n2	3136
+[N-]=[N+]=NCc1ccc([n+](c1)[O-])C	341
+c1(C)cc([n+](cc1[N+](=O)[O-])[O-])Cl	341
+c1c(c(ccc1C(=O)O)-n2cc(nc2)C)OC	10306
+c1(C=O)cccc(OCCS(=O)C)c1	2978
+c1(Cl)c(ccc(CO)c1)-c2cc(ccc2)C(=O)N	216
+Oc1c(F)cc(cc1O)Br	2286
+c1(OC)cc(cc(OC)c1OC)Nc2ccc(C(=O)N)c(NC(COC)C)c2	216
+c12c(ccc(c1O)F)ccc(n2)OC	10307
+Nc1c(cc(cc1[N+]([O-])=O)F)C(=O)O	4555
+c1c(c(O)c(Cl)cc1)CCCO	347
+c1c(cc(C)c(CCO)c1)Br	1709
+c1c(cc2[nH]cc(c2c1)CC(N)=O)Br	527
+c1c(ncc(c1)N2CC(CC2)O)C(=O)N	1200
+c1c2c([nH]cc2CC(C(N)=O)Nc3ccc(c(Nc4cc(ns4)C)c3)C(N)=O)ccc1	216
+c1(c(F)c(cc2CCCOc12)O)F	1991
+c1[n+]([O-])cc2cccc([N+]([O-])=O)c2c1	341
+O=S(=O)(c1ccc(cc1)-c2ccccc2)C(F)F	902
+c1ccccc1C(CCO)(O)CCCl	347
+c1cc(ccc1OC)C(C)C(=O)O	2263
+c1cc(ccc1C2C(CC(=O)C2)C(=O)O)Cl	2263
+c1ccccc1CCOCCCO	347
+c1cc(ccc1)COCC(F)(F)CCCO	347
+c1cc(ccc1)COc2cccc(C(OCC)=O)c2CCCO	347
+c1cc(ccc1)COc2c(ccc(C3=C(C(=O)c4ccccc4O3)O)c2)OCc5ccccc5	10308
+c1cc(ccc1)COc2cccc(c2)C3CN(c4cccc(C(N)=O)c4)C(C3)=O	216
+c1cc(ccc1)Cn2c3c(c(C=NOCCCO)c2)cccc3	347
+c1cc(ccc1)Oc2ccc(cc2-c3c(nccc3)OC)C(=O)N	216
+c1cc(ccc1)S(=O)(=O)N(CC(c2cccc(Cl)c2)CCCO)C	347
+c1cc(ccc1-c2cc(C(=O)N)nc3c2ccc(CN4C(CN(C)C4=O)=O)c3)F	1200
+c1cc(ccc1-c2c3c(cc(cc3)Cn4cc(C=O)cn4)nc(C(=O)N)c2)F	1200
+c1cc(ccc1-c2cc3c(c[nH]c3cc2)C(N)=O)Br	745
+c1cc(ccc1-c2ncc(cc2)C(=O)N)Cl	745
+c1cc(ccc1-c2c[n+]([O-])ccc2)C(OC)=O	341
+c1cc(ccc1-c2cn3cc(CCO)c(C)cc3n2)N(C)C	10309
+c1cc(ccc1-n2c(CC)nc3c2cc(c(C(N)=O)c3)Cl)CCO	216
+c1cc(ccc1Br)CCCO	347
+c1cc(ccc1OC(C(=O)OC)C)OC(=O)C	10310
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(N3CCCC(c4ccccc34)CO)=O	2938
+c1cc(ccc1C2CCCC2=O)F	10311
+c1cc(ccc1C(=O)N)CCN=[N+]=[N-]	216
+c1cc(ccc1Cl)Cc2[n+](cccc2)[O-]	341
+c1cc(ccc1F)-c2csc3c2c(ncn3)CCCCO	347
+c1c(cc(c(F)c1)O)Br	1991
+c1cc(ccc1F)C(=O)N2c3ccccc3C=CC2C(N)=O	10312
+c1cc(ccc1F)C(C)Nc2c(C(N)=O)cc(c(Nc3[nH]nc(c3)C4CC4)n2)F	745
+c1cc(ccc1NC(c2ccc([n+](c2)[O-])Cl)=O)F	341
+c1cc(ccc1N2C(=O)OC(CNC(c3ccc(s3)Cl)=O)C2)N4CCOC(C4=O)CCCO	347
+c1cc(ccc1NC(=O)C2=C(CCC2)c3cccc(C(N)=O)c3)N4C(=O)CCCC4	216
+c1cc(ccc1NS(=O)(=O)C)C(NCCN2CCS(CC2)=O)=O	2978
+c1cc(ccc1-c2nc(CCCO)c(C)o2)OC	347
+c1cc(ccc1S(=O)(=O)n2c3ccc(cc3c(C4C(CCO)C4)c2)C#N)C	347
+O=S(=O)(CCCCl)c1ccc(cc1)Cl	902
+O=S(=O)(c1c(cccc1)Br)c2ccc(cc2)CO	10313
+c1cc(ccc1)S(c2ccc(cc2)OC3CCCC3)=O	10314
+c1cc(ccc1[N+](=O)[O-])-c2nc(S(=O)C)[nH]c2	3136
+c1ccccc1C2(c3ccccc3)C(N(CC)CC2CCO)=O	347
+C(CC(CO)C(O)=O)CCC=C	2263
+c1ccccc1CCCCOCCCO	347
+c1ccccc1CN(Cc2ccccc2)CCCC(=O)N	527
+c1ccccc1COC(=O)c2ccc(c(NC3CCCCC3)c2)C(N)=O	216
+c1cc(ccc1)COC(NC2C(NC(OCc3ccccc3)=O)CCC(O)C2)=O	4091
+c1ccccc1COC2C(Nc3cc(ccc3C(N)=O)-n4c5CC(C)(C)CC(c5c(CC)n4)=O)CCCC2	216
+c1ccccc1COc2cc(O)ccc2OC	2286
+c1ccccc1COc2cc(ccc2C3CN(c4cccc(C(N)=O)c4)C(=O)C3)OC	216
+c1ccccc1Cc2[n+]([O-])cccc2	341
+c1cc(cc[n+]1[O-])CCC	341
+c12c(cc3CCCc3c1)[N+](=O)N=C(NCCN(C)CCCOC)N2[O-]	10315
+n1cccnc1-c2cc(ccc2)Nc3nc(cnc3C(N)=O)NC4CCCCC4N	1198
+OP(O)(c1cc(ccc1)N)=O	0
+c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2	42
+c1(cc(cc(Cl)c1Oc2ccc(c(C(O)=O)c2)OC)COC)Cl	1182
+c1(c(c(ccc1C(=O)O)OC)F)O	1182
+c1cc(ccc1-c2cc3c([nH]cc3C(O)=O)cc2Cl)C4CCN(C(=O)OC)C4	2038
+c1cc(ccc1-c2nc(CCCC)n(Cc3ccc(cc3)-c4c(C#N)cccc4)c2C(=O)O)F	10316
+c1cc(ccc1)COc2c(cccc2C(O)=O)Cc3c(OC)c(c(OC)c(OC)c3C)OC	1182
+c1ccccc1COc2c3nc(C)cc(c3ccc2)C(=O)O	1182
+Nc1cccc(C(CNCC(OC)=O)=O)c1O	0
+c12OCOc1cc3C4(C(N(CC(=O)OCC)c5c4cccc5)=O)COc3c2	20
+c1cc(ccc1)COC(Cc2ccccc2O)=O	283
+c1ccc(cc1CCO)CNCc2ccccc2O	95
+c1ccccc1COc2cc(ccc2O)CC(OCC)=O	22
+c1cc(ccc1NC(CCc2ccc(c(c2)O)O)=O)C(=O)OC	33
+c1(nccc(Oc2c(c(Cl)c(cc2)N)Cl)n1)Cl	185
+O(C)Cc1cc(c(c(O)n1)[N+]([O-])=O)O	10317
+c1c2c(C3(C(N(CCCCC)c4ccccc34)=O)CO2)cc(c1)F	20
+c1cc(ccc1I)COc2ccc(c(O)c2Cl)C(=O)C	22
+c1cc(ccc1COc2ccc(c(O)c2Cl)C(=O)C)C(c3cc(ccc3)C#N)OC4OCCCC4	20
+Nc1c(c(O)c(cc1)C(=O)C)C	0
+c1cc(ccc1C=CCCCCOc2c(O)cc(cc2)C(=O)CCCC(OC)=O)OC	8
+c1cc(ccc1COc2ccc(cc2O)C(c3c4ccccc4n(CCCC(=O)OCC)c3)=O)C	22
+c1c2c(nc(-c3cc(Br)c(C)cc3)o2)ccc1	3137
+c1c2c(nc(-c3cc(OC)c(cc3)C)o2)ccc1	3137
+c1c(Oc2c(OC)cccc2)c([N+](=O)[O-])cc(F)c1NC(=O)C	46
+c1cc(ccc1OCCCCc2ccc(cc2)F)C=Cc3cccc(C(C)=O)c3O	914
+c12nc(C)ccc1nccc2O	10318
+c1cc(ccc1OC)-c2nc(CCCOc3ccc(CC(OCC)C(=O)OCC)c4CCCCc34)c(o2)C	126
+Oc1c2ccc(N)cc2nc(n1)Cc3ccc(c(Cl)c3)Cl	0
+Oc1c2c(nc(-c3cc(O)ccc3)n1)cccc2	5
+c1cc(ccc1)COC(Nc2ccc3c(c2)nc(Cc4cc(c(cc4)Cl)Cl)nc3O)=O	90
+Cc1nc(c2c(cccc2)c1[N+]([O-])=O)O	475
+c1cc(ccc1)COc2cc(cc(c2)O)C	22
+c1ccccc1COc2c(O)cc(C=O)cc2	22
+c1ccccc1CCOc2c(O)cc(cc2)C=O	8
+c1c2c(C(c3c(O)ccc(F)c3)C(N2CCCCC)=O)ccc1	462
+c1cc(ccc1OCCOc2cc3CCCCc3cc2)C=O	8
+Oc1cccc(O)c1NC(=O)c2ccccc2	50
+c1c(Br)c(Oc2cc(ccc2[N+]([O-])=O)C#N)ccc1	46
+Oc1ccccc1C(CN)O	157
+c1cc(ccc1)CN2C(CCC)=Nc3nc4ccccc4cc3C2=O	10319
+C1CN(CCN1Cc2nc3c(cccc3)c(O)n2)Cc4ccccc4	894
+c1cc(ccc1CN2c3cc(Br)cnc3C=CC2=O)OC	10320
+Cc1c(COc2ncc(cc2)C(=O)OC)c(no1)-c3ccncn3	2055
+c1(c(C(N)=S)cncc1)C	4989
+C(c1ccc(c(c1)CCC)OCCCOc2ccc3c(c2)ccn3CC(=O)OC)(=S)N	1855
+c1cccc2c1-n3cnc(C(N)=S)c3CN(C)C2=O	4802
+S(C)(Cc1cccc(N)c1)(=O)=NC(OCC)=O	0
+S(C)(c1cccc(C(=O)O)c1)(=O)=NC(c2cncc(c2)C#Cc3cccc(c3)NC(=O)c4n(nc(C)c4)C)=O	1
+N#CC(C#N)=C(SC)Nc1ccccc1	10321
+O=Cc1nc(cc(c1)CCCSC)C(=O)OC	178
+S(c1cc(ccc1CN)F)C	162
+S(C)c1ccc(N)cc1Cl	0
+C(c1ccc(SC)c(Cl)c1)C(=O)O	10322
+S(C)c1nnc(CCCC=O)n1C	24
+O=Cc1c(SCC#C)cccc1	39
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CSCCCCCCCCCCCCCCCC)O	604
+CCc1cc(cc(SCC)n1)Br	10323
+c1ccc(OCCSC)c(N)c1	0
+O=S(=O)(c1cc(c2nnc(c(c2c1)Cl)C(N)=O)C)C	593
+O=S(=O)(c1cc(C(=O)O)c(Cl)cc1)C	593
+O=S(=O)(C)c1ccc(O)cc1F	593
+O=S(=O)(C)c1cnc(cc1)Cl	10324
+O=S1(=O)CCc2cc(C(=O)O)sc12	10325
+O=S(=O)(C)c1nc(-c2cc(ncc2)Cl)cc(C)n1	528
+O=S(=O)(c1cc(F)c(cc1Br)F)C	593
+O=S(=O)(C)c1nc(N)c(c(NC(c2c(-c3ccnn3C)cc4c(ccn4C)n2)C)n1)C#N	528
+O=S(=O)(C)c1nc(N)c(c(n1)NC(C)c2nc3ccn(C)c3cc2-c4cscn4)C#N	528
+O=S(=O)(Cc1c(cc(c(c1)Br)OC)F)C	991
+c12-c3c(cccc3)C(c1cccc2)COC(=O)NC(C)c4cc5cccc(Cl)c5c(C(O)=O)n4	2634
+O=S(=O)(c1c(cc(Br)cc1)F)C	593
+Clc1c2c(ccc(O)c2)ccn1	10326
+c1cc(ccc1)C(c2ccccc2)CNc3nc(S(=O)(=O)C)nc4n(C5OCCCC5)cnc34	528
+O=S(=O)(c1ccc2CCCC(=O)c2c1)c3ccccc3	4990
+O=S(=O)(Cc1n(CCCCc2ccc(cc2)O)ccn1)C	991
+O=S(=O)(C)c1ccc2n(c(C)c(Oc3ccc(cc3)Cl)c2c1)CC(OC)=O	593
+c1cc(ccc1F)Nc2nc(nc(CCO)c2)S(=O)(=O)C	528
+O=S(=O)(c1ccc(cc1)OC)c2c(cc(cc2Cl)Nc3nnc(N)[nH]3)Cl	4990
+c1cc(ccc1S(=O)(=O)C)C#N	593
+O=S(=O)(c1ccc(cc1)O)CC	593
+c1ccccc1-c2c(-c3nc(S(=O)(=O)C)ncc3)nc(s2)N	528
+O=S(=O)(C)c1nc(C=C2SC(=O)NC2=O)ccn1	528
+CC(SSc1ccccn1)CO	10327
+c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1	162
+c1ccccc1-c2c(cccc2Cl)SC	134
+S(c1c(cc(cc1)C)C(=O)O)c2csc3ccccc23	1
+S(c1cc(Oc2c(nccc2)CC)c(N)nc1)c3ccccn3	1779
+S(c1cc(ccc1CNC(c2c(O)c3ncccc3c(n2)C(=O)OC)=O)F)C	658
+S(c1cc(ccc1CNC(c2c(O)c3ncccc3c(C(=O)O)n2)=O)F)C	1
+S(c1ccc(CN)c(F)c1)C	107
+c1cc(ccc1Br)C(=O)Cc2ccc(SC)c(F)c2	10328
+S(c1ccc2OCCC(c2c1)(CC=O)C)C	24
+c1c2c(NCc3ccc4OCOc4c3)ncnc2ccc1SC	40
+c1cnccc1OCCSc2nc3nc(cc(n3n2)C)C	1175
+c1cc(ccc1F)CNC(C2=CN3C(S2)=C(C(=O)NC3=O)C)=O	10329
+C1N(c2c(S1)cccc2)C(=O)c3cc(c(OC)c(Cl)c3)I	448
+Nc1ccc2c(C(Nc3c(cccc3)S2)=S)c1	3120
+c1c2CCCC(Nc2ccc1)=S	2718
+Clc1cc2c(cc1)NC(c3ccccc3N2)=S	3120
+c1cc(ccc1-c2nnc(S)cc2)Cl	10330
+c1cc(ccc1-c2nnc(-c3ccc(cc3)C(OC)=O)s2)N4CCC(CC4)(CCCC)OC	10331
+c1c2ccccc2cc(C=3N(C)C(=S)NN=3)c1	10332
+c1cc(ccc1-c2nc(-c3c(cccc3)Cl)sc2)C#N	1741
+c1cc(ccc1-c2c(nc(-c3c(Cl)cccc3)s2)-c4ccc(cc4)C)SC	10333
+c1ccccc1-c2nc(sc2)-c3ccccc3[N+]([O-])=O	1741
+Fc1cc(OCCSc2nc3nc(C)cc(C)n3n2)ccc1Cl	2425
+c1ccccc1C2Sc3nnc(C)n3N=C2c4ccc5OCC(Nc5c4)=O	10334
+c1cc(ccc1)CC(O)C=CC2CCC(=O)N2CCCCSc3nnnn3C	10335
+c1(c(c(ccc1C)Cl)Nc2ccccc2C3=NNC(=S)O3)Cl	1770
+c12cnccc1CCc3ccccc3C2N=C=S	985
+c1c2c(ccn1)NC(N2)=S	10336
+c1(ccc2c(c1)NC(=S)N2)C	1357
+c1cc(ccc1-c2c(F)cc3c(NC(=S)N3)c2)-c4ccccc4	1357
+c1cc(ccc1C(c2ccc(cc2)OC)(c3ccccc3)OCc4cccc(CN=C=S)c4)OC	985
+C1CN(CCC1Nc2n(Cc3ccc(cc3)F)c4c(cccc4)n2)CCN=C=S	985
+c1cc(ccc1C=2OC(=S)NN=2)NC(=O)c3c(cccc3)F	1770
+c1ccccc1Oc2c(cccc2)C=3OC(NN=3)=S	1770
+N1C(=S)N2C=C(c3cnn(C)c3)C=C(C2=N1)F	10337
+N1c2cc(F)c(cc2NC1=S)-n3ccnc3	1357
+c1(C)nc(Cl)cc(CSC)c1	1672
+Brc1cccnc1SC	1272
+Clc1c(SC)ncc(C(=O)C)c1	1272
+S(C)c1ccc([N+]([O-])=O)cc1Cl	411
+c12c(cc(cc1)-c3cnc(cc3C)SC)cnc(N)c2	3482
+O=C(SC)c1cc(ccc1)C#C	10338
+c1nc2ccc(SC)cc2nc1O	2039
+c1(C=O)ccc(SC)c(F)c1	411
+c1cc(ccc1)-c2c(c(C(NC(CC)c3ccccc3)=O)c4ccccc4n2)CSC	4218
+c1cc(ccc1)C(c2ccccc2)CNc3c4c(nc(SC)n3)n(C5OCCCC5)cn4	1721
+c1cc(ccc1)Oc2c3c(c(c(n2)C)C)n(c(C)n3)CCCCCSC	1105
+c1cc(ccc1S)Oc2ccccc2	10339
+c1cc(ccc1CCSC)CCNc2c(c(CC)ncn2)C(OCC)=O	786
+c1cc(ccc1Cl)Nc2nc(SC)nc3n(CC)cnc23	1721
+c1cc(CSC)ncc1Br	3446
+C(C)OC(=O)c1cc2sc(nc2cc1)SC	10340
+c1c(Cl)ncnc1SC	2147
+Nc1nc2ccc(Cl)nc2s1	2153
+S(CC(c1c(c(F)ccc1)F)=O)C#N	4991
+c1ccc(C(=O)N=C=S)cc1C#N	10341
+NC(=S)Nc1cccc(C)c1	10342
+Nc1sc2c(n1)cc(c(OC)c2)Br	10343
+c1cc(ccc1-c2ccc3nnc(n3c2)Sc4cc5c(cc4)nc(N)s5)F	821
+c1cc(ccc1C(CSC#N)=O)Br	4991
+Nc1sc2cc(C#N)ccc2n1	821
+CC(C)(c1cccc(C(Nc2cc(ccc2C)Oc3ccc4nc(N)sc4c3)=O)c1)C#N	821
+c1ccccc1OCC(N2CCC(CC2)Cc3ccccc3)C(c4cc5sc(nc5cc4)N)O	821
+Nc1nc2ccc(OC)nc2s1	2153
+c1cc(ccc1[N+]([O-])=O)COC(=O)N2C(COCC(N)=O)CC(SC(C)=O)C2	4943
+c1cc(C(=O)OC)cc2OC(=S)Nc12	2872
+c1c2c(OC(=S)N2)cc(c1)O	2872
+c1c(OC)c(OC)cc2c1nc3sc(c(c3c2)N)C(=O)N	10344
+c1ccccc1COCC(Cc2nc(c3c(c(sc3n2)C(N)=O)N)-c4ccc(c(Cl)c4)Cl)C	3771
+c1(O)c2c(ncc(c2)[N+](=O)[O-])sc1C(=O)OC	10345
+c12nnc3CCCCc3c1c(N)c(C(=O)OC)s2	10346
+c1c(C(=O)OC)sc2c(F)ccc(OC)c12	1425
+c1c(cc2OCCc3c(sc(c3)C(=O)OC)-c2c1)Br	10347
+C1CSC2(S1)c3c(c(Br)cc(c3CCC2)C)C	10348
+OCC(CC)CSc1ccccc1OC	3138
+c1nc2ccc(SCCCSc3ccnc(CSc4nccc(n4)C)c3C)nn2c1[N+]([O-])=O	4992
+Clc1c([N+]([O-])=O)cc(C)c(c1)C#N	2223
+C(c1c(c(Cl)ccc1)C#N)(=O)OC	180
+c1(C)c(C#N)ncc(CO)c1	10349
+COc1ccc(CC(OC)=O)c(C#N)c1	180
+c1cc2CCN(CCc2cc1C#N)C(C)=O	2223
+c12c(Cl)cc(C#N)cc1C(OC(c3cc(Cl)nn3-c4c(Cl)cccn4)=N2)=O	1942
+c1cc2-c3ccc(C#N)cc3C(c2cc1Br)=O	180
+c1(ccc(cc1C#N)C(=O)OC)O	180
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)C#N	2223
+C(c1cc(C#N)ccc1N)C#N	180
+[nH]1c2cc(C#N)ccc2c(Sc3cc(ccc3)C(=O)OC)c1C	4993
+[nH]1c(c(c2cc(C#N)ccc12)C)-c3cnccc3	180
+O=C1C=Cc2ccc(C#N)cc2N1CC(OC)=O	180
+c1[nH]c2c(cc(C#N)cc2)c1CC(OC)=O	180
+C(C)OC(c1cc2c(ccc(C#N)c2)[nH]1)=O	180
+c12ccc(Cl)nc1ccc(C#N)c2	180
+c1c2c(nc(c1)O)cc(C#N)cc2	4993
+c1(NC(C)=O)ccc(cc1C#N)CCCC	180
+c1cc(ccc1C#N)-c2nc3n(cc(cc3)C)c2	180
+c1cc(ccc1C(OC)OC)-c2nc(-c3cc(C#N)c(OC(C)C)cc3)no2	180
+O=S1(=O)N=C(C2=C(C3C(N(Cc4ccc(cc4)F)C2=O)C5CCC3C5)O)Nc6ccc(C#N)cc16	10350
+c1cc(ccc1Oc2cc3c(c(nc(C(OCCCC)=O)c3O)C#N)cc2)OCCC	942
+c1cc(ccc1Oc2c3c(ccc2)c(c(nc3C#N)C(=O)OC)O)OC	942
+n1c2c(c(O)nc1CCCC)cc(C#N)cc2	1942
+c1ccc2c(c1)C(=O)N(C2=O)C3CC(c4c(F)cc(c(c4)F)C#N)CC3	180
+c1ccccc1C2(CN(C(C)=O)c3cc(C#N)ccc23)C	180
+c1cc(ccc1)Oc2c3c(ccc2)c(c(C(=O)OC)nc3C#N)OC	942
+c1cnccc1-c2nc(C#N)c(nc2-c3ccco3)N	10351
+c1([N+]([O-])=O)ccc2[nH]nc(c2c1)C#N	10352
+c1(c2c(ccc(c2)Oc3ccc4ccccc4c3)c(O)c(C(=O)OC)n1)C#N	10353
+n1cc(cnc1N2CCC(CC2)O)C#N	10354
+c1cc(ccc1-c2ocnc2C(=O)OC)C#N	10355
+c1c(CC)c(c(cc1-c2ccc(cc2)Cl)CC)Br	1078
+c1cc(ccc1-c2oc3c(cc(c(N(S(=O)(=O)C)c4ccc(c(c4)CCO)Br)c3)C5CC5)c2C(NC)=O)F	1078
+c1c(cccc1OC)Oc2c(Cl)cc(F)c(Br)c2	1030
+c1cc(ccc1Oc2cc(Br)c(cc2Cl)F)OC	1030
+c1ccccc1C(=O)Nc2ccc(cc2)CN3C(=O)C(=CC3)CCC(NO[K])=O	909
+c1(ccc(C(C(C)=O)CC=C)cc1Cl)Cl	2555
+c1(nc(nc(OC)c1)NC(NS(=O)(=O)c2c(cccc2)C(C)=O)=O)OC	3139
+c1c(cc(c(N)c1)C(=O)C)Br	3139
+CC(=O)c1ccc(OC)c(N(CCC)c2nc(-c3c(cc(cc3)OC)Cl)c(C)s2)c1	3139
+c1cc(ccc1)-c2c(sc(C(C)=O)c2)C	4994
+c1cc(ccc1C(C)(C)O)OC	3129
+c1ccccc1-c2cc(C(C)=O)sc2CC	4994
+c1cc(ccc1)COC(NC2C(NC(=O)OCc3ccccc3)CC(O)(C)CC2)=O	2799
+c1(c(Br)cccc1N2N=C(C(=O)C)C(=O)C(=C2)OC)F	1183
+c1cc(N2N=C(C(=O)C)C(=O)C(=C2)OC)c(F)cc1I	1183
+c1cc(ccc1CC2(CCN(CC2)C(=O)C3CN(Cc4ccccc4)c5cc(c(C(C)O)cc5O3)Cl)C#N)F	4932
+c1ccccc1COc2cc(c(cc2)N3C=C(C(C(=N3)C(C)=O)=O)OC)F	1183
+Cc1cc(cc(C)c1CC(=O)C)Br	591
+C(C)(c1ccc(C)c(F)c1)O	449
+n1ccc2cccc(c2c1)C(=O)C	1024
+CC(C)(c1cc2c(C(CCC2)C)cc1OC)O	1033
+CC(C)(Cc1cccc(Br)c1)O	736
+OC(c1ccncc1Br)C	449
+c1(Cl)cc(cc(Cl)n1)C(C)=O	1024
+c1c(F)c(c(cc1)F)-c2c3c([nH]c4c3CCC(C(=O)C)C4)c(C(=O)N)cc2	591
+c1cc(cc(c1)F)-n2c(cc3c(Cl)cccc23)C(C)=O	3140
+c1cc(c(Cl)nc1Cl)C(=O)C	10356
+c1cc(cc(c1)F)-n2c(C(=O)C)c(c3ccccc23)C#N	3140
+c1cc(ccc1)C2(CC(C2)C)c3c(C(O)C)ccc(OCc4ccc5cc(ccc5n4)F)c3	449
+C1CC(CCO1)(c2cc(OCc3ccccc3)cc(F)c2)C(C)O	684
+c1cc(ccc1)Cc2cc3c(cc2)oc(-c4c(cc(cc4)C(C)O)F)c3	449
+c1cc(ccc1-c2ccc(OC)c(c2)C(O)C)C#N	449
+c1cc(ccc1-c2nc3n(c2)cc(-c4c(F)ccc(C(C)O)c4)cc3)Cl	449
+c1cc(ccc1-c2nc3ccc(cn3c2)I)C(C)O	449
+c1cc(ccc1C(N2CC(C(=O)C)CC2=O)C)OC	591
+c1cc(ccc1)C(C(=O)C)Cc2ccc(cc2)Cl	591
+C1CC(CCC1OCC(=O)C)N2C(C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)n5ncnc25)=O	591
+c1(cccc(c1OCC=C)OCC=C)C(C)O	449
+C1CCCc2c(cccc2)C1(O)C	1033
+c1ccccc1C(O)(c2ccc(c(Cl)c2)Br)C	4995
+c1cc(ccc1)C(C(C)(C)C(C)O)c2ccc3n(-c4ccc(cc4)F)ncc3c2	684
+c1cc(ccc1)C2(CC(N(CC2)C(c3ccc(cc3)Br)C)=O)CC(C)(C)O	736
+c1ccccc1CN2C(C)COC(CC(O)C)(C)C2=O	684
+n1ccnn1-c2c(C(=O)N3C(CCC(C(C)=O)C3)C)cccc2	591
+n1n(C)c(CC)cc1C(=O)C	3140
+c1(cc(C(CCCCCC)O)ccc1)Br	758
+[N-]=[N+]=NC1CCc2c(C1)c(NC(C)=O)c(cc2Br)[N+]([O-])=O	31
+c1(F)c(cc[n+]([O-])c1C)[N+](=O)[O-]	2296
+c1(Cl)cc(C(=O)OC)c(OC)c(c1NC(C)=O)[N+]([O-])=O	31
+O(CC)C(C(C)c1cc2c(ccc([N+]([O-])=O)c2)[nH]1)=O	31
+c1(C)c(F)cc([N+]([O-])=O)c(NC(C)=O)c1	31
+c1([N+]([O-])=O)cc(C)c(NC(C)=O)cc1F	77
+c1(C)c(c(C)c([n+](c1)[O-])C)[N+]([O-])=O	2296
+Clc1c(C(=O)O)cc(F)c(C)c1[N+](=O)[O-]	77
+c1c(C)c(c(cc1-c2c(C)c3c([nH]2)ccc(c3)[N+](=O)[O-])C)O	31
+c1(C)cc(cc(C)n1)CCc2ccc(cc2)[N+]([O-])=O	77
+Cc1c(c(cc(C)n1)O)[N+]([O-])=O	475
+c1c([N+]([O-])=O)c(O)c(Cl)cc1C=O	31
+c1(c(CCCl)cc(c(O)c1[N+](=O)[O-])Cl)F	31
+c1(O)c(Cl)cc(c(N2N=NN(CCCF)C2=O)c1[N+]([O-])=O)F	31
+c1(F)c2c([nH]cc2[N+](=O)[O-])ncc1OCC	3141
+c1(cc(c(cc1Br)[N+]([O-])=O)O)F	31
+c1(F)c2c([nH]cc2[N+](=O)[O-])ncc1Br	3141
+c1(F)c2c([nH]cc2[N+](=O)[O-])ncc1Cl	3141
+c1(cc(cc(F)c1[N+](=O)[O-])O)F	31
+c1cc([N+]([O-])=O)c(cc1CC(OC)=O)F	31
+Nc1cc(ncc1[N+](=O)[O-])C(=O)OC	1026
+[N+](=O)(c1c([N+](=O)[O-])cc(c(C)c1)C(=O)O)[O-]	31
+[n+]1([O-])c(Cl)cc([N+]([O-])=O)cc1C	2296
+c1(c(ccc(c1[N+](=O)[O-])[N+]([O-])=O)Br)C	31
+[N+](c1cc(c(c(F)c1)F)C23C(C(CF)OC2)CSC(N)=N3)([O-])=O	31
+c1c([N+]([O-])=O)c(c(CC)c(c1F)F)F	77
+c1(F)c(Br)cc(c([N+]([O-])=O)c1)C=O	31
+c1(c(F)c([N+](=O)[O-])c(Cl)c(C(=O)O)c1)C	31
+O=C(c1c(c(c(F)c([N+]([O-])=O)c1)F)F)O	31
+c1(C(=O)O)c(O)ncc(c1)[N+](=O)[O-]	1026
+c1(oc2c(cc(c(O)c2[N+]([O-])=O)OC)c1)C(=O)OCC	10357
+O=C1OCCc2c(ccc([N+]([O-])=O)c2)N1C	77
+c1([N+]([O-])=O)ccc2N(C(Cc2c1)=O)C(CF)C	31
+[N+](c1cc2c(cc1)-c3ccc(cc3C2)CCC(=O)C)([O-])=O	77
+c1cc(ccc1C(NC2Cc3c(C2)cc(cc3)[N+]([O-])=O)=O)F	77
+c1c([N+]([O-])=O)c(cc2c1N(O)C(C(=O)N2)=O)F	77
+c1cc(c(CC)c2c1NC(C2=O)=O)[N+]([O-])=O	31
+c1([N+]([O-])=O)c(F)ccc2cnccc12	31
+C(CC1CCc2cc([N+]([O-])=O)ccc2O1)C#N	31
+c1cncc2ccc(C)c([N+]([O-])=O)c12	31
+c1c(C)nc(cc1)-c2cc([N+]([O-])=O)cc(C)[n+]2[O-]	10358
+c1c(cc2ccc(OC)c([N+]([O-])=O)c2c1)Br	31
+c1(cc(OC)c(O)c([N+]([O-])=O)c1)C(=O)O	31
+c1c(C)c(c(cc1[N+](=O)[O-])C)NC(=O)OCCC	77
+c1(C)cc(cc(C)c1OC)[N+](=O)[O-]	31
+Cc1nc(OC)ccc1[N+]([O-])=O	475
+[N+](c1cc(COC(C)=O)c(c(F)c1)F)([O-])=O	31
+c1(ccc(Cl)c(c1Cl)CC#N)[N+]([O-])=O	77
+c1(cc(Cl)c(c(F)c1NC(C)=O)[N+]([O-])=O)F	31
+Oc1c(c(O)nc(COC)c1C(=O)OC)[N+]([O-])=O	475
+c1(cc(cc(OC)c1[N+]([O-])=O)Br)OC	77
+c1(c([N+]([O-])=O)cc2c(n(CC)c(I)c2C#N)c1)OC	77
+COc1cc(C(=O)OC)c([N+]([O-])=O)cc1OCC#C	31
+c1(ccc([N+]([O-])=O)cc1-c2nc(O)c3c(n2)c(CCC)ccn3)OCC	31
+COc1cc(C#N)c([N+]([O-])=O)cc1OCCOC	31
+COc1cc(C(=O)OC)c([N+]([O-])=O)cc1OCCOC	31
+[N+](c1cc([n+]([O-])c(C)c1)Br)([O-])=O	2296
+c1c(C#N)c(C)cc([N+]([O-])=O)c1O	77
+c1c(c(c(CC)c(c1)[N+]([O-])=O)[N+](=O)[O-])OC	31
+c1(c(F)ccc([N+]([O-])=O)c1)-c2cc(C(=O)O)ccc2	77
+c1(C23C(CCSC(N)=N2)C3)c(F)ccc([N+]([O-])=O)c1	31
+c1c(C(CBr)=O)cc([N+]([O-])=O)c(c1OC)O	31
+[N+]([O-])(=O)c1c(cc(c(C(=O)O)c1)F)F	77
+[N+]([O-])(=O)c1cc(c(cc1F)Br)F	31
+Oc1c(cc(cc1Br)F)[N+]([O-])=O	31
+c1(C)cc(c([N+]([O-])=O)cc1F)Br	31
+c1([N+]([O-])=O)cc(C)c(Cl)cc1F	31
+c1(cc(Cl)c(cc1F)O)[N+]([O-])=O	31
+c1c(cc2ncc([N+]([O-])=O)c(O)c2c1)Br	475
+CCc1c(Br)cc(c(N)n1)[N+](=O)[O-]	475
+c12CC3(N(C)C(=O)NC3=O)Cc1cc(N)c([N+]([O-])=O)c2	4996
+[N+](c1ccc2c(CCN(CC2)C(C)=O)c1)([O-])=O	31
+C1CC(=O)c2cc(Br)c(NC(C)=O)c([N+]([O-])=O)c12	31
+c12cc(Br)c(NC(C)=O)c([N+]([O-])=O)c1CCC2CCC(=O)O	31
+c12cc([N+]([O-])=O)ccc1CC2=O	77
+C1Cc2ccc([N+]([O-])=O)cc2NC1	77
+c1cc([N+]([O-])=O)cc2c1CCCCN2	31
+c12c(c(c(cn1)[N+]([O-])=O)O)cccc2	475
+[n+]1([O-])ccc(cc1CCC)[N+](=O)[O-]	10359
+c1(cc(C#N)c(Cl)cc1F)[N+]([O-])=O	31
+c1cc(N2C(Nc3c(c(c(c(F)c23)F)[N+](=O)[O-])OC)=O)c(F)cc1I	31
+c1(F)c(F)cc(c([N+]([O-])=O)c1)O	77
+O(C(=O)OC)c1c(C)cc(c([N+]([O-])=O)c1)Br	77
+c1(cc(c(cc1F)C)Br)[N+]([O-])=O	31
+Cc1c(ccc([N+]([O-])=O)n1)O	3004
+c1(OC)c(OCc2c(F)c(ccc2OC)F)cc([N+](=O)[O-])c(c1)Cl	77
+c1([N+]([O-])=O)cc(c(Cl)cc1F)CC(=O)O	31
+c1([N+]([O-])=O)cc(cc(Br)c1OC)C#N	31
+c1([N+]([O-])=O)cc(OC(=O)OC)c(cc1F)CC	31
+c12C(=O)C(Nc1c(cc(c2)F)[N+]([O-])=O)=O	77
+c1cc(ccc1)-c2[nH]nc3cc(C)c([N+]([O-])=O)cc23	31
+c1cc(ccc1)-c2cc3c(cc2)c(c([N+](=O)[O-])cn3)O	475
+c1cc(ccc1)C(=O)Oc2ccc(c([N+]([O-])=O)c2)O	77
+c1cc(ccc1[N+]([O-])=O)C(C(O)=O)CC	77
+c1cc(ccc1CC(C(O)=O)N)[N+]([O-])=O	31
+c1cc(ccc1)COCC2CC(N(c3nn(cc3[N+](=O)[O-])C)C2)=O	4734
+c1ccccc1COc2c(cc(c([N+](=O)[O-])c2)Br)OC	77
+c1ccccc1COc2cc([N+](=O)[O-])c(cc2OC)C(C)=O	77
+c1cc(ccc1N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl)[N+](=O)[O-]	77
+c1cc(ccc1F)-c2oc3cc(c(Br)cc3c2C(=O)OC)[N+](=O)[O-]	2362
+c1(c(F)ccc(-c2nccc(OC)c2)c1)[N+]([O-])=O	4415
+CC(C)c1ccc(c(c1)[N+](=O)[O-])Br	31
+c1cc(ccc1C(=O)OCCCCO[N+](=O)[O-])[N+](=O)[O-]	10360
+c1c(ccc(N)c1[N+]([O-])=O)C(C)C(=O)O	31
+CC(C)c1c([N+](=O)[O-])cc(cc1)N	31
+C1CC1(c2cc([N+](=O)[O-])c(cc2)OC)C(=O)OC	77
+c1(c(F)ccc(c1)C2=C(C(NC2)=O)C)[N+]([O-])=O	31
+C1NC(=O)CC1c2ccc(Cl)c([N+]([O-])=O)c2	77
+c1c(cc(c(c1)CC)[N+]([O-])=O)Br	31
+C(c1ccc(CC)c([N+]([O-])=O)c1)(=O)O	31
+FC(F)Oc1n(nc(c1Cl)-c2cc([N+]([O-])=O)c(cc2)Cl)C	31
+C1CCCCC1C(c2cc(c(cc2)Cl)[N+]([O-])=O)=O	31
+c1cc(ccc1-c2c(c3c(cc([N+](=O)[O-])c(Br)c3)o2)C(OCC)=O)F	2362
+C(C(c1ccc(c([N+]([O-])=O)c1)F)=O)CC(=O)O	31
+C1CCCCC1C(=O)c2ccc(F)c([N+](=O)[O-])c2	31
+c1cc(ccc1Cn2c(C(C)=O)cc(c2)[N+](=O)[O-])F	10361
+Nc1cc(c(cc1)CC)[N+]([O-])=O	31
+C(c1ccc(c([N+]([O-])=O)c1)O)C(=O)O	31
+c1cc(c([N+]([O-])=O)cc1CCC)O	31
+n1c(NC)nc(Oc2ccc(c([N+]([O-])=O)c2)O)cc1	77
+c1cc(OC(OCC)=O)cc([N+]([O-])=O)c1OC	31
+Clc1cc(cc(Cl)c1Oc2ccc(c([N+](=O)[O-])c2)OC)N3C(=O)NC(C=N3)=O	77
+c12c([nH]cc1)nccc2Oc3ccc(c([N+]([O-])=O)c3)O	31
+c1cc(ccc1S(=O)(=O)C)-c2cc([N+](=O)[O-])sc2-c3ccc(cc3)F	10362
+O=S(=O)(c1ccc(C)c(c1)[N+]([O-])=O)C	31
+O=S(=O)(Cl)c1cc(c(cc1)NC(=O)OCC)[N+](=O)[O-]	77
+c1cc(ccc1N=Nc2cc(c(O)c([N+]([O-])=O)c2)Cl)S(=O)(=O)F	31
+c1cc(ccc1S(=O)(=O)Nc2ccc(F)cc2[N+](=O)[O-])C	31
+c12c(CCCC1)cc(c(n2)O)[N+]([O-])=O	1026
+n1c2c(c3nc(O)c(nc3cc2[N+]([O-])=O)O)n(C)n1	10363
+c12c(C)cc(O)nc1c([N+]([O-])=O)cc(OC)c2Cl	3037
+c12CCCc1c(N)ccc2	4996
+c1c2c(CC3(C(NC(=O)N3)=O)C2)cc([N+]([O-])=O)c1	31
+C1Cc2c(CCC1=O)cc([N+]([O-])=O)cc2	31
+c1cc(c2c(sc3ccccc23)c1OC)[N+]([O-])=O	10364
+c1cc(ccc1-c2c3nccn3ccc2)[N+](=O)[O-]	77
+c1ccccc1-c2cc3c(c([N+](=O)[O-])sc3cc2)Br	10365
+c1cc(ccc1-c2cnc(O)cn2)[N+](=O)[O-]	77
+c1cc(ccc1[N+](=O)[O-])C23CN(CC2C3)C(C)=O	31
+c1cc(ccc1CCCF)[N+]([O-])=O	31
+c1ccccc1COc2cc(C=O)c([N+](=O)[O-])cc2OC	77
+c1ccccc1COc2c(c([N+]([O-])=O)c3C(CCc3c2)=O)O	31
+c1ccccc1COc2c(c([N+]([O-])=O)cc(-c3ccc(cn3)C=C4SC(=O)NC4=O)c2)O	77
+c1ccccc1COc2ccc3c(c2)ncc([N+](=O)[O-])c3O	475
+OP(O)(=O)c1cccc(c1)[N+]([O-])=O	31
+c1cnccc1-c2c(c(ccc2F)[N+](=O)[O-])F	31
+N#Cc1c(O)nc(C)c(c1)[N+](=O)[O-]	1026
+Fc1nc(F)c(cc1[N+]([O-])=O)F	475
+c1(cc2c(cccc2[N+]([O-])=O)cn1)COC	77
+n1cccc(-n2cc([N+]([O-])=O)c(Cl)n2)c1	1733
+c12c(c(ccc1Cl)[N+]([O-])=O)nccc2	3037
+c1ccccc1COc2cc([N+]([O-])=O)c(CC(=O)OCC)c3c2cccc3	22
+n1nn2c(c(N)c(c3ccccc23)NCCOCCCc4cccnc4)n1	4997
+Nc1cc(OC)c(CCNCc2c(cccc2)OC)cc1OC	0
+c12c(cccc1)C(=O)N(C2=O)CCCCSc3cc(cc(c3)N)[N+](=O)[O-]	0
+Nc1c(c([N+]([O-])=O)cc(C(=O)O)c1)C	0
+Nc1cc(Cl)nc(C(=O)OC)c1Br	912
+[N+]([O-])(=O)C=Cc1c(c(c(c(c1C)OC)C)C)OC	417
+c1cc(C=C[N+]([O-])=O)cc(C)c1OC	417
+C(C[N+](=O)[O-])c1cc(ccc1)OCC	10366
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)C=C[N+]([O-])=O	417
+Fc1c(ccc(C=C[N+]([O-])=O)c1)F	417
+c1cc(C=C[N+]([O-])=O)cc(c1OCc2cccc3ccccc23)OC	417
+c1cc(ccc1[N+]([O-])=O)C2C3C(CN(C(=O)CC)C3)C2	1564
+c1cc(ccc1)Cc2cc3c(C=C[N+](=O)[O-])c[nH]c3cc2	4766
+c1cc(ccc1C(C[N+](=O)[O-])CC(=O)OC)Cl	10367
+C(#N)COc1ccc(c([N+]([O-])=O)c1)O	1564
+c1cc(ccc1OCc2cscc2)C=C[N+](=O)[O-]	417
+C1Cc2c(CCC1=O)cc([N+]([O-])=O)cc2	1564
+c1ccccc1COc2c(C=C[N+](=O)[O-])ccc(C(C)C)c2	417
+C1(C(CC(CC1)O)c2cc(OC)c(cc2)OC)[N+](=O)[O-]	100
+c1c(c(c(F)cc1)C)CC[N+](=O)[O-]	364
+c1(c(c(c(OC)c(c1C)CC[N+]([O-])=O)C)C)OC	364
+c1c(c(CC)c(Br)cc1)CC[N+](=O)[O-]	364
+O=C(c1c(cc(c(c1)N)F)F)O	0
+c1ccc(Oc2nc(ncc2Cl)Cl)c(N)c1	0
+O=C(c1cc(n(n1)-c2c(cc([N+]([O-])=O)cc2)C(=O)N3Cc4ccccc4CC3CO)C)O	6
+c1cc(ccc1Oc2c([N+](=O)[O-])cc(c(Br)c2)F)OC	46
+c12n(nnc1c(cc3c2NC(C(=O)N3)=O)N)C	13
+OCC1Cn2c3ccccc3nc2-c4ccccc4O1	1118
+NC(=O)c1c(nc2c(cccc2)c1)N	10368
+c1ccc(C=C(C(=O)OCC)C)c(N)c1	0
+[N+]([O-])(=O)c1ccccc1Oc2cc(ccc2)OC(C)C#N	143
+c1([nH]nnn1)C(Oc2cc(ccc2)Oc3ccccc3[N+]([O-])=O)C	1104
+c1(ccncc1N)Nc2ccc3c(c2)CC(C#N)C3	13
+Nc1cnc(NCc2ncccc2)c(Cl)c1	13
+O=[N+](c1c(Nc2ccc(c(C)c2)C)cc(c([N+]([O-])=O)c1)O)[O-]	275
+Nc1cccc(c1C)C(=O)C	0
+c1c(CO)c(C)c([N+]([O-])=O)cc1	49
+Nc1c(c(ccc1)O)C	0
+c1cc(ccc1Cl)-c2ccccc2[N+]([O-])=O	11
+c1ccccc1COc2c(F)cc(c(F)c2)[N+]([O-])=O	57
+c1(c(c(c(F)c(F)c1F)N)N)F	0
+Nc1cc2cccnc2c(Br)c1	0
+c1cc(ccc1)-c2cc([N+](=O)[O-])cc3c2nn(C)c3	1009
+c1cccc(N)c1Oc2cc(c(C#N)cc2)C#N	10369
+C(O)c1cc([N+]([O-])=O)cc(F)c1F	59
+[N+](c1cc2c(c(F)c1)[nH]cc2)([O-])=O	1452
+c1c(cc([N+]([O-])=O)cc1-n2nccc2)NC(C)=O	901
+c1c(cc([N+]([O-])=O)cc1-n2ncnc2)NC(C)=O	4998
+c1cc(ccc1N2CCN(CC2)C)Nc3nc(Oc4cc(Br)cc(c4)[N+]([O-])=O)c(CC)nc3C(=O)N	842
+c1cc(ccc1)COc2cc([N+]([O-])=O)cc(Br)c2	22
+c1-2c(c3c(cccc3)c(n1)O)Cc4cc(ccc-24)N	0
+c1-2ccc(cc1Cc3cc(ccc-23)CCC(=O)C)N	0
+c12CCN(CCc1cc(N)cc2)C(C)=O	0
+N1(CCc2c(CC1)cc(N)cc2)C	0
+Nc1c2[nH]ccc2ccc1	13
+Clc1ccc(N2CCC(C2)C(C)N)c([N+]([O-])=O)c1	18
+C(C=1N=C2N(C(=O)C=1c3cc(F)ccc3)C(=CS2)C)(C)N	1426
+C(CCCCN1C(=O)N(c2c(n3CCN(C(=O)C)c3n2)C1=O)C)(C)N	18
+C1Cc2cc(CC(C)N)cc(C#N)c2N1C(=O)C	18
+c1(C(C)N)cccc([N+]([O-])=O)c1	18
+c1c(cnc(C(C)N)c1)F	18
+C(c1cc(C)c(F)cc1)OCCCCC(N)C(OC)=O	4707
+C(C(N)c1ccc(nc1)OC)O	18
+[N-]=[N+]=NC(OCCO)COc1cccc(C(=O)O)c1	6
+[N-]=[N+]=NC1CC(OC1CO)n2cnc3c2nc(nc3OCC)N	10370
+C1c2c(cccc2F)NC(C(n3cc(-c4cc(OC)c(I)cc4)nn3)C1)=O	10371
+[N-]=[N+]=NC1CCc2c(ccc(c2)C#N)C1O	74
+C(=O)(CN1C(=O)C(N)CCc2ccc(OC)cc12)O	1584
+[N-]=[N+]=NC1CCc2ccc(OC)cc2N(C1=O)CC(=O)O	3
+c1cc2CCCC(N)c2cc1F	18
+C1(CCOc2c1ccc(C#N)c2)N	18
+Clc1cccc(C(O)CN)c1	18
+[N-]=[N+]=NCc1ccc(nc1C#N)C	10372
+C1(C(Oc2c1cc(cc2Cl)Br)CN)O	18
+c1(cc2NC(=O)COc2cc1)N3CC(CC3=O)CN	18
+C1CC(C(=O)O)CC1CN	18
+[N-]=[N+]=NCC1CCC(C(=O)O)C1	4
+C1Oc2cccc(c2NC1CN)OC	18
+c1(F)cccc(F)c1-c2cccc3CC(CN=[N+]=[N-])Oc23	4738
+Clc1c2OC(CN)Cc2ccc1	18
+Oc1nc2c(C)cc3c(c2cc1)OC(CN)C3	18
+CC(C)CC(C(=O)NC(C(OC)=O)CCC(NCCCN=[N+]=[N-])=O)NC(C(NC(=O)OCc1ccccc1)CC#C)=O	188
+[N-]=[N+]=NCCCOc1ccc(cc1C(=O)O)C(=O)C	1
+N(C=O)c1scc(C(=NOCCN)C(=O)NC2C(=O)N3C(=C(CSc4n(C)nnn4)CSC23)C(=O)O)n1	18
+[N-]=[N+]=NCCn1cnc2cc(C(=O)O)ccc12	1
+s1c2c(cccc2cc1-c3nc(ncc3F)NCCN4CCNC4=O)-c5c(CN)cnc(F)c5	18
+Clc1ccc(I)c(CN)c1	18
+C(c1ccc(CN)cc1C)CC(OC)=O	18
+C(c1ccc(C(=O)OC)c(Cl)c1)N	18
+C(c1ccc(CN)nc1Cl)(=O)OC	18
+Clc1ccc(CN)c(F)c1Oc2c(c(F)cc(c2)Br)Cl	18
+c1(Oc2c(Cl)ccc(CN)c2F)cc(cc(Br)c1)C#N	18
+C(c1ccc(c(c1)F)C#N)N	18
+c1cc(cc(F)c1CN)C(=O)OC	18
+c1c2CN=C(c2nc(C)c1)N	10373
+C1CCCC(n2c3cc(CN)ccc3cn2)O1	18
+C(c1ccc2c(nccc2)c1)N	18
+C(c1ccc2occc2c1)N	18
+c1c(c(OC)c(Br)cc1)CN	18
+C1OC(CCC1)OCc2c(cncc2Cl)CN	18
+c1(nc(CN)ccc1)N2CCCC2=O	18
+c1cc(-n2cnc(CN)c2)ncc1Br	18
+C(C)OC(c1ccc(N)c(C)c1F)=O	912
+C(c1cc(c(C)cc1)-n2nnc(-c3cnc(cc3)Cl)c2)(=O)O	3754
+C(c1c(nc(nc1N)C)Cn2ccnc2-c3cccc(F)n3)CC	1341
+c1(cc(cc(Cl)c1N=Cc2c(c(F)cnc2)N=[N+]=[N-])[N+](=O)[O-])Cl	3026
+c1nc2c(c(N)c1)c(OC)ccc2OC	912
+c1(nc(Br)cc(N)c1OC)C(=O)OC	912
+c1ccccc1OC(=Nc2cc(I)cc(c2)N=[N+]=[N-])NC#N	10374
+Nc1cc(nc(Cl)c1Cl)-c2cnco2	912
+c1cc(ccc1)-c2nnn(c2)-c3ccc(cc3C#N)-c4nccc(C(OC)=O)c4	2274
+c1c(cc(c(Nc2c(C(=O)OC)cnc(N)c2Cl)c1)Cl)Br	1341
+n1cccc2c(N)nccc12	1341
+C(N=[N+]=[N-])C1Oc2c(cc(C)c3c2c(c(c(n3)O)C)C)C1	310
+c1(cc(-c2nnn[nH]2)ccc1)C=O	1174
+C1c2c(Sc3cc(ccc3C1=O)Cc4[nH]nnn4)cccc2	1104
+c1(F)cc(cc(F)c1-c2cnccc2)N3C(OC(C3)CN=[N+]=[N-])=O	1445
+c1(c(c(ccc1)N2C(=O)NN=N2)C)Br	10375
+[N-]=[N+]=Nc1cc(Br)nc(c1OC)C(=O)OC	10376
+Clc1c(c(ccc1)N2C(=O)NN=N2)C	10377
+[N-]=[N+]=NCc1ccc2c(c1)OC(C=C2c3cc(F)ccc3)=O	545
+Ic1c(NC(Nc2c(cc(cc2)N=[N+]=[N-])O)=O)cccc1	615
+[N-]=[N+]=Nc1ccc(cc1C#N)-c2cc(ccn2)C(=O)OC	1870
+[N-]=[N+]=NCC1CC(N(c2cc3NC(=O)COc3cc2)C1)=O	600
+c1(cc2ncc(c(Nc3cccc(N=[N+]=[N-])c3)c2cc1OC)C#N)OC	615
+c1c(C)c(c(cc1)C)COc2cccc(-c3[nH]nnn3)c2	424
+c1c(-c2nc(-c3nnn[nH]3)ccc2)nc(s1)-c4ccc(c(OCC)c4)OCC	4832
+[N-]=[N+]=NCc1nc(ccc1)N2CCCC2=O	2297
+c12OCC(C)N3C=C(c4nnn[nH]4)C(=O)c(c13)c(N)c(c2F)F	10378
+N(=[N+]=[N-])Cc1cc2c(c(Cl)ccc2)nc1-c3c(cccc3)F	3336
+c1(CN=[N+]=[N-])nc2c(cccc2)c3ccccc13	2297
+[N-]=[N+]=NC1CCc2c(NC1=O)cc(OC)cc2	4999
+C1(c2c(C(=O)N1c3c(N=[N+]=[N-])cccc3)cccc2)=O	615
+c1cccc2CCc3c(cccc3)N(c12)CC(CN=[N+]=[N-])O	1648
+c1c(Br)cc2CCNC(=O)c2c1	10379
+[N-]=[N+]=NCc1nc(ccc1)Br	2297
+[N-]=[N+]=NC1CCc2cc(C#N)ccc2C1=O	10380
+[N-]=[N+]=NCc1ccc2occc2c1	545
+c1c(Cl)c(ccc1Cl)Oc2cc(c(Cl)cc2O)-c3nnn[nH]3	1174
+n1n(c(C)nn1)-c2ccc(I)cc2Cl	4307
+[N-]=[N+]=Nc1cc(ccc1)OCC(=O)O	615
+[N-]=[N+]=NCc1cc(c(F)cc1)Oc2cnccn2	10381
+c1c(CCN=[N+]=[N-])c([N+]([O-])=O)ccc1	310
+n1c2cc(F)cc(CN=[N+]=[N-])c2nc(OC)c1OC	2324
+c1(-c2nnnn2C)cc(ccc1)CCl	3142
+[N-]=[N+]=Nc1c2c(nc(-c3cc(F)ccc3)c1)ccc(c2)Br	1756
+C1CC(C(Nc2ccc3c(cccc3)c12)=O)N=[N+]=[N-]	4999
+C1(=O)c2c(C(=O)N1Cc3n(nnn3)Cc4ccccc4)cccc2	10382
+c1c2c(ccc1)N(CCN=[N+]=[N-])C(N2)=O	558
+c1c2ccc(-c3c(Cl)cc(-c4nnn[nH]4)cc3)nc2ccc1O	424
+c1c(-c2[nH]nnn2)cc3n1-c4ccccc4N(CC)C3=O	2915
+[N-]=[N+]=NCc1ncn(-c2ccc(Br)cn2)c1	5000
+[N-]=[N+]=NCc1ccc(C(=O)OC)c(Cl)c1	545
+[N-]=[N+]=Nc1c2c(ccc(c2ncc1)OC)OC	1756
+[N-]=[N+]=NCCCOc1ccc(cc1C(=O)OC)C(=O)C	310
+c1cc(ccc1)-c2c(C)nn(-c3ccc(cc3)CCN=[N+]=[N-])c2C	558
+c1cc(ccc1)-c2n(C3CCCCC3N=[N+]=[N-])cnc2C(=O)OCC	298
+c1cc(ccc1)-c2sc(c(CCN=[N+]=[N-])n2)C	133
+c1cc(ccc1)C(=O)NC2=NC3(COC(C(F)(F)C)C3CS2)c4c(F)ccc(N)c4	10383
+c1ccccc1C2CN(C(=O)CN=[N+]=[N-])c3ccccc23	10384
+c1ccccc1CC(CCCc2ccccc2C(=O)OC)N=[N+]=[N-]	298
+c1cc(ccc1)COC(=O)N2CCCC(CN=[N+]=[N-])C2	133
+c1ccccc1COC(NC2C(N(C(=O)OCc3ccccc3)CC2)CN=[N+]=[N-])=O	254
+c1cc(ccc1)COCCOC(C)CN=[N+]=[N-]	600
+c1cc(ccc1)COc2cc3c4c(CCCc4nn3CC(C)N=[N+]=[N-])c2	2135
+c1cc(ccc1)Cc2c3c(n(C)c2-c4ccccc4)ccc(-c5ccc(cc5)OCc6nnn[nH]6)c3	420
+c1cc(ccc1)Cc2cc3cc(ccc3nc2Oc4ccc(F)cc4C(C)=O)N=[N+]=[N-]	615
+c1cc(ccc1)Cn2c3c(nc2CN=[N+]=[N-])N(C)C(=O)N(CCCCC(O)C)C3=O	2902
+c1cc(ccc1)N2C(=O)CC(CN=[N+]=[N-])CC2	133
+c1cc(ccc1-c2ccc(c(-c3nnn[nH]3)c2)N)Cl	424
+c1cc(ccc1-c2cc(ccc2C)C(=O)NC3CC3)-c4oc(nn4)CN=[N+]=[N-]	10385
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(nc5c4cc(s5)CC)N=[N+]=[N-])=O	10386
+c1cc(ccc1-c2c(c(-c3[nH]nnn3)nn2-c4c(cc(Cl)cc4)Cl)C)Cl	10387
+c1cc(ccc1-c2[nH]nnn2)-c3csc(-c4c(cccc4)Cl)n3	424
+c1cc(ccc1-c2noc(-c3[nH]nnn3)c2)Oc4c(ccc(F)c4)Br	10388
+c1cc(ccc1-c2c(nc(CCCCCC(C)c3[nH]nnn3)o2)-c4ccc(cc4)Cl)Cl	420
+c1cc(ccc1-n2cnc(CN=[N+]=[N-])c2)N3C=CC=CC3=O	5000
+c1cc(ccc1C=2CC(CN=[N+]=[N-])ON=2)Br	133
+c1cc(ccc1-c2[nH]nnn2)-c3nc(c(O)cc3-c4ccc(cc4)F)O	424
+c1cc(ccc1-c2noc(-c3ccc(cc3)-c4[nH]nnn4)n2)-c5ccc(cc5)OCCCC(=O)O	424
+c1ccccc1-c2nc(sc2)-c3ccc(cc3)-c4[nH]nnn4	424
+c1cc(ccc1CCN=[N+]=[N-])C#N	600
+O=S(=O)(N1CCOc2ccc(cc12)C(Nc3ccc(cc3)-c4[nH]nnn4)=O)c5cc(Cl)ccc5OC	424
+c1cc(ccc1C(C)=O)CN=[N+]=[N-]	545
+c1cc(ccc1C#N)C(CCN=[N+]=[N-])n2ccnc2	133
+c1cc(ccc1C(Cc2ccccc2)N=[N+]=[N-])CCCC(=O)OC	10389
+c1cc(ccc1C)-c2cc(cc(C(OC)=O)c2)-n3c(C)nnn3	10390
+CC(C)COP(=O)(C)CC(O)CN=[N+]=[N-]	254
+[N-]=[N+]=NCC(O)c1cc(Cl)ccc1	254
+[N-]=[N+]=NCCCCC#C	254
+C(O)CCCCCN=[N+]=[N-]	254
+O=S(=O)(c1cccc2ccccc12)c3c4c(ccc(OCCCN=[N+]=[N-])c4)[nH]n3	254
+c1cc(ccc1-c2ccc(cc2)C3CCC(CC3)CCCC=C)C(N=[N+]=[N-])=O	10391
+c1cc(ccc1C=CC(=O)N=[N+]=[N-])C	10392
+c1cc(ccc1C(C)C)OC(Cc2ccc(cc2)OCCN=[N+]=[N-])(C)C(=O)OCC	133
+c1cc(ccc1OC)CC(C)(C)N	4972
+c1cc(ccc1)COc2ccc(cc2)CC(NC(CCCCCCc3ccccc3)=O)CCc4nnn[nH]4	1104
+c1ccccc1OC(Cc2ccc(cc2)OCCN=[N+]=[N-])C(OCC)=O	133
+c1(cc(cc(Cl)c1)N2C(C3(CC(N=[N+]=[N-])CN3C2=O)Cc4ccc(cc4)C#N)=O)Cl	298
+c1cc(ccc1-n2c3c(c(C)cc(C)n3)nc2CC)CCN=[N+]=[N-]	558
+c1cc(ccc1CCN=[N+]=[N-])CCOC2OCCCC2	133
+c1cc(ccc1CN=[N+]=[N-])CO	1298
+c1cc(ccc1Cl)C(c2ccc(cc2Cl)CN=[N+]=[N-])=O	545
+c1cc(ccc1Cl)CC(c2cccc(C#N)c2)C(N=[N+]=[N-])C	298
+c1cc(ccc1F)-c2c(C(OCC)=O)cc3cc(CN=[N+]=[N-])ccn23	2289
+c1cc(ccc1S(=O)(=O)N2C(c3ccc(cc3)F)CCC2c4nnn[nH]4)C	420
+c1cc(ccc1F)CCN2CCC(C(CN=[N+]=[N-])C2)C	133
+c1cc(ccc1N2C(OC(CN=[N+]=[N-])C2)=O)I	133
+c1cc(ccc1N2CCN(CC2)CCN=[N+]=[N-])[N+]([O-])=O	558
+c1cc(ccc1N2CCN(CC2)c3nc(c(-c4[nH]nnn4)s3)-c5ccccc5)OC	10393
+c1cc(ccc1-c2c(c(cc(Br)n2)C(OC)=O)N=[N+]=[N-])N3CCOCC3	5001
+c1cc(ccc1-c2ccc(c(n2)O)C(O)=O)NC(=O)Cc3[nH]nnn3	10394
+c1cc(ccc1Nc2ncc(c(n2)O)Br)S(=N)(=O)C	10395
+c1cc(ccc1OC(C(OC)=O)c2ccccc2Cl)CN=[N+]=[N-]	545
+c1cc(ccc1CCCCN=[N+]=[N-])OC	254
+c1cc(ccc1OCc2nnn[nH]2)-c3cc4c(c(n(C)c4cc3)-c5ccccc5)C	420
+c1cc(ccc1OCc2nnn[nH]2)-c3ccc4n(Cc5ccccc5)c(C)c(C)c4c3	420
+c1cc(ccc1-c2c(C#N)c3c(n2CC)cc(cc3)OC)OCCN=[N+]=[N-]	310
+c1cc(ccc1OCCCc2[nH]nnn2)CCCCNC(=O)OCc3ccccc3	420
+c1cc(ccc1OCCN=[N+]=[N-])CCC(=O)OC	558
+c1cc(ccc1OCCN=[N+]=[N-])CC(C)(CCCc2ccccc2)C(=O)OCC	133
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN=[N+]=[N-]	254
+c1cc(ccc1OCCc2nnn[nH]2)OCc3nc4c(cc3)cccc4	1104
+c1cc(ccc1)COC(N2CC(CC)C(C2)N=[N+]=[N-])=O	2780
+c1cc(ccc1)COC(N2CC(CN=[N+]=[N-])C(=NOC)C2)=O	254
+[N-]=[N+]=NCC1Oc2c(-c3ccsc3)cc(Cl)cc2C1	254
+Cc1ccccc1-c2c(ccc3CC(CN=[N+]=[N-])Oc23)F	254
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCN=[N+]=[N-])C3	254
+O(CCN=[N+]=[N-])CCOCCOCCOC	254
+c1cc(ccc1[N+](=O)[O-])OCCOCCOCCOCCN=[N+]=[N-]	254
+c1cc(ccc1[N+](=O)[O-])-c2nnnn2C	3142
+c1n2C(c3c(N=c2ccc1-c4nnn[nH]4)sc(CC)c3)=O	2915
+C(OC)(c1ccccc1-c2ccc(nc2)CN=[N+]=[N-])=O	2297
+c1ccc2c(c1)c3c(cccc3)n2CCCN=[N+]=[N-]	133
+c1c2CCCC(Nc2ccc1)=O	10396
+c1cc(ccc1)-c2c(C(OC)=O)c3c(nc2C(C)N=[N+]=[N-])ccc(F)c3	10397
+c1ccccc1-c2n(c3cccc(-c4ccc(cc4)OCc5nnn[nH]5)c3c2C)Cc6ccccc6	420
+c1cc(ccc1)C(C2CC(=O)N(C2)C(C)c3ccccc3)N=[N+]=[N-]	10398
+C1CCCCC1C(c2ccccc2)CN=[N+]=[N-]	600
+c1ccccc1C(NC=2C=CN(C(N=2)=O)C3OC(CN=[N+]=[N-])C(O)C3O)=O	600
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)CN=[N+]=[N-]	133
+c1ccccc1C2(CC(C2)C)c3c(C(=O)CN=[N+]=[N-])ccc(OCc4ccc5cc(ccc5n4)F)c3	3396
+c1ccccc1C2CCC(CC2)CN=[N+]=[N-]	1445
+c1ccccc1CC(=O)c2c(-c3cc4ccc(c(c4cc3)Br)OCc5[nH]nnn5)sc6ccccc26	420
+c1ccccc1CC(NC2=CC(N(CCC(CN=[N+]=[N-])F)C=C2)=O)=O	310
+c1ccccc1COC(N2C(Cc3c(C2)[nH]c4ccccc34)c5[nH]nnn5)=O	420
+c1ccccc1COC(=O)NC(CN)COC	4154
+c1ccccc1COC(N2c3c(cc(cc3)N4CC(OC4=O)CN=[N+]=[N-])CCCC2)=O	133
+c1cc(ccc1)COCC(CN=[N+]=[N-])O	1648
+c1ccccc1COCCCC(C)(C)COS(=O)(=O)CCCN=[N+]=[N-]	558
+c1ccccc1COc2ccc(-c3[nH]nnn3)c(OC)c2	424
+c1ccccc1COc2ccc(C(CN=[N+]=[N-])O)c3SC(=O)Nc23	310
+c1ccccc1COc2ccc(cc2)-c3c(c(cc(Br)n3)C(OC)=O)N=[N+]=[N-]	5001
+c1ccccc1COc2ccc3c(OC(C=C3CN=[N+]=[N-])=O)c2	10399
+c1cc(ccc1)N2C=C(CN=[N+]=[N-])C(=O)c3c2cc(cc3)Cl	10400
+c1ccccc1Nc2c3ccccc3nc(CN=[N+]=[N-])n2	2902
+N(=[N+]=[N-])CC1C(C(O)C(n2c3c(c(nc(N)n3)O)nc2)O1)O	1445
+n1c2c(c(O)nc1CCCC)cc(-c3nnn[nH]3)cc2	424
+[N-]=[N+]=Nc1cc2nc(Cn3ccnc3-c4cc(ccc4F)F)n(c2cc1)CC	615
+[N-]=[N+]=NCc1ccc2c(nccc2)c1	545
+c1nc(ncc1-c2nnn[nH]2)N3CCC(CC3)O	10401
+[N-]=[N+]=Nc1nccc2ncccc12	10402
+c1cc(ccc1CN(C(=O)N(N=O)CCCl)C2C(O)C(O)C(O)CO2)OC	2591
+c1c(ccc(Oc2cc(c(cc2Br)[N+]([O-])=O)C)c1F)F	304
+c1(C)cc(c([N+]([O-])=O)c(C)c1[N+](=O)[O-])N	106
+c1ccc([N+]([O-])=O)c(Sc2c(C(=O)O)cccc2)c1	815
+c1(OC)cc(C)c(Nc2ccccc2[N+]([O-])=O)cc1	275
+c1(cccc(Nc2ccccc2[N+]([O-])=O)c1)-c3cnc4n3ccc(c4)C	275
+c1cc(ccc1Cl)Sc2ccccc2[N+]([O-])=O	815
+c1c(Nc2c([N+]([O-])=O)cccc2)c(ccc1)C	275
+c1c(NCc2cnccc2)c(ccc1)[N+]([O-])=O	205
+C1(=C(N(N(C1=O)c2ccccc2F)C)C)N	3846
+C(CN)c1cc(F)c(cc1)F	157
+c1(cc(CCN)ccc1OCc2cccc3ccccc23)OC	157
+c1(c(c(Cl)c(Cl)c(c1Cl)Cl)[N+]([O-])=O)N	0
+n1(nc(-c2ncccc2)cc1)-c3ccc([N+]([O-])=O)cc3F	926
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c[nH]nc3cc2Br	46
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c[nH]nc3cc2	46
+c1cc(ccc1Cn2nc(c3ccccc23)Oc4c(cc([N+]([O-])=O)cc4)F)OC	10403
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c(nn(C4CCCCO4)c3)cc2Br	46
+c1cc([N+]([O-])=O)cc(F)c1Oc2cnc(OC)cc2	551
+c1cc(P(OCC)(C)=O)c(OCC)cc1N	0
+Nc1c(ccc([N+]([O-])=O)c1)CC	0
+c1c([N+]([O-])=O)cc([N+]([O-])=O)c(Sc2c(cccc2)N)c1	825
+O=[N+](c1cc(cc([N+](=O)[O-])c1)C(C)O)[O-]	74
+S1c2cc(C#N)ccc2C=Cc3cc(N)ccc13	0
+c12c(cccc1)Sc3c(C(N2)=O)cc(N)cc3	0
+c1(cc(N)ccc1NC(Nc2ccccc2I)=O)O	0
+c1(ccccc1CNc2ccc3c(n2)ccc(N)c3)OC	0
+c1cccc(NCCCCCCCCCCCCCCCCCC)c1N	0
+c1n(CCCN2c3c(cccc3)CC2)ncc1N	209
+c1n(CCn2nccc2)ncc1N	209
+C1C2(c3c(O1)ccnc3O)c4ccccc4N(CCCCC)C2=O	10404
+C=1c2c(nc(O)cc2)C(c3ccccc3C=1)=O	10405
+O=Cc1ccc([N+]([O-])=O)cc1C	5002
+c1cc(ccc1)CN(CC=O)S(=O)(=O)c2c(cccc2)[N+]([O-])=O	2775
+c1cc(ccc1C=O)C2(CC2)C#N	5002
+c1ccccc1C(N2C(=O)CC(C2)(COC)CCO)C	10406
+c1cc(ccc1)C(O)(C)CCO	10407
+Clc1cnc(c(C)n1)C(=O)OC	2903
+c1c(cc2c(ccnc2c1)S)Br	10408
+c1cc(ccc1OCCO)-c2c(c(nc(c2C#N)OCC)S)C#N	3985
+c1cc(ccc1-c2ccc3C(=CC=4[Se]C(C)=C(C=4)C(=O)O)C(=O)Nc3c2)OC	10409
+c1cc(ccc1-c2ccc(C=3[Se]C=CC=3)c(F)c2)CC	10410
+Cc1cccc(C)c1-c2nc3ccc(cn3n2)C(OC)=O	10411
+O(C)CCCCOc1cc(CO)ncc1	813
+c1(C)nc(Cl)cc([N+]([O-])=O)c1	174
+c1(cc2cccc(C)c2nc1Cl)[N+]([O-])=O	2298
+CCCCOc1ccnc(c1C)COC(=O)C	174
+OCc1ccc(cn1)C(=O)OC	813
+Cc1c(-c2ncccc2)nc(cc1)COC(C)=O	174
+CCOc1c(Cl)ncc(Br)c1	174
+[nH]1c(C(=O)NC2CCN(CC2N=[N+]=[N-])c3sc(C(OC)=O)cn3)c(Cl)c(c1C)Cl	641
+[nH]1c(C(NC2CCN(CC2n3nncc3)c4sc(cn4)C(=O)O)=O)c(Cl)c(c1C)Cl	1
+[nH]1c(C(NC2CN(c3cccc(C(=O)O)c3)C2=O)=O)c(Cl)c(c1C)Cl	1
+c1cc(ccc1)C(CNC(=O)c2ccc3nc(C)[nH]c3c2)=O	10412
+c1ncoc1-c2cc3ccccc3[nH]2	4936
+c12c(ccnc1cc(OC)c(Br)c2)Nc3n[nH]c(c3C)C	10413
+C1(Nc2ncc(C=CC(=O)N(C)Cc3[nH]c4c(c3CC)cccc4)cc2OC1)=O	404
+c1ccc(cc1C(=O)OC)OCCn2c(-c3cnccc3)c(c4cc(C#N)ccc24)C	339
+c1ccccc1NC(NCCc2nnc3N(CCCCC)c4nc(Br)[nH]c4C(=O)n23)=O	282
+c1cc(ccc1C(NCCc2n3C(=O)c4[nH]c(Br)nc4N(CCCCC)c3nn2)=O)OC	14
+C(n1c(Br)nc2c1C(NC(=O)N2C)=O)c3ccccc3Br	371
+c1cc(ccc1Cl)Cn2c(Br)nc3N(C(NC(=O)c23)=O)C	371
+c1ccccc1CNC(=O)c2cc3c4c(C(CCC4)=O)[nH]c3cc2	14
+[nH]1c2C(NC(CCCO)Cc2c3cc(OC)ccc13)=O	95
+c1cc(ccc1Cn2c3c(C)cccc3c4c2CCCC4=O)F	190
+c1cc(ccc1)Cn2c3c(c4c2CCCC4=O)cccc3F	190
+c1(SCC=2N(c3ccccc3OC)C(=O)c4c(Cl)cccc4N=2)ncnc5nc[nH]c15	3031
+[nH]1c2c(c(C(=O)c3c(F)c(N)ccc3F)c1)cc(Br)cn2	2622
+c1cc(ccc1S(=O)(=O)n2cc(C(c3cc([N+]([O-])=O)ccc3)=O)c4cc(cnc24)-c5cccnc5)C	276
+c1(cccc([N+]([O-])=O)c1F)C(c2c[nH]c3c2cncn3)=O	814
+[nH]1cc(c2c1ncnc2Cl)C#N	1453
+O=S(=O)(n1ccc2c(ncnc12)Cl)c3ccc(cc3)C	276
+O=S(=O)(n1ccc2c3c(cnn3C)cnc12)c4ccc(cc4)C	276
+c12c(ncnc1nc[nH]2)NC(C)c3c(nc4c(c3)c(Cl)ccc4)-c5ncccc5	2042
+Cc1n(-c2cn(nc2)CC)c3cc(C#N)ccc3c1Sc4cc(ccc4)C(=O)OC	1865
+c1[nH]c2c(ccc(C)c2)c1CN	5003
+[nH]1c(nc2cc3C(=O)N(Cc3cc12)C)-c4c(ccnc4O)NC(Cc5cc(ccc5F)F)C	1598
+c1cc(ccc1S(=O)(=O)OCC2CN(C3C(c4cccc5[nH]cc(C3)c45)C2)C)C	36
+c1cc(ccc1Cn2c3c(c4ccccc24)C(=O)CCC3)C(OC)=O	190
+[nH]1c2c(c(C(=O)c3cc([N+]([O-])=O)ccc3)c1)cc(cn2)-c4cnccc4	814
+[nH]1c2c(c(C(=O)c3c(c(NC(OC)=O)ccc3F)F)c1)cc(Br)cn2	814
+[nH]1cc(c2c(-c3ccc(C)cc3C)ccnc12)C#N	1453
+c1cc(ccc1)S(=O)(=O)n2ccc3c(ccnc23)Br	276
+c1cc(ccc1Oc2ccnc3c2cc[nH]3)OCc4ccccc4	10414
+c1c2c(ccc1)nccc2-n3c4c(ccc(OC)c4)c(c3)C(OC)=O	5004
+[nH]1cc(c2c(N)cccc12)Cl	0
+O=S(=O)(c1ccc(cc1)C)n2cc(I)c3c(nc(Cl)nc23)Cl	276
+c1ccccc1-n2c3ncnc(Cl)c3c(I)c2	5005
+O=S(=O)(n1c2c(c(I)c1)cc(C(=O)O)cc2)c3ccc(cc3)C	367
+[nH]1cc(Cl)c2c(N=C=S)cccc12	1695
+O=S(=O)(Nc1ccc2c(c(C(=O)C)c[nH]2)c1)c3ccccc3	69
+[nH]1cc(c2cc(N)ccc12)C(=O)C	0
+[nH]1c2ncc(-c3cnccc3)cc2c(C(O)c4cccc([N+]([O-])=O)c4)c1	1235
+c1ccccc1CN(Cc2ccccc2)c3c(c(C(O)c4c[nH]c5c4cc(-c6cnccc6)cn5)c(cc3)F)F	1235
+c1cc(ccc1CCO)-n2ccc3cccnc23	4520
+c1cc(ccc1CCCn2ccnn2)OCc3ccccc3	10415
+c1cc(ccc1Cl)Oc2ccc(C(CC)(O)Cn3cncn3)c(Cl)c2	10416
+n1ccnn1CCOc2cc3cc4ncc(c(Nc5c(cc(c(c5)OC)Cl)Cl)c4cc3cc2OC)C#N	10417
+c1ccccc1-c2nnc(CCC(NNC3=NC(=O)c4nc[nH]c4N3CCCCC)=O)o2	355
+c12c(ncnc1nc[nH]2)NC(C)c3cc4c(c(Cl)ccc4)nc3-c5nnc(C)s5	516
+n1c(-c2ncccc2)c(cc3ccsc13)C(C)Nc4c5[nH]cnc5ncn4	516
+c1cc(ccc1NC(=O)c2c(cn[nH]2)[N+](=O)[O-])F	187
+Nc1c(n[nH]c1)C(=O)OC	209
+c1c(cc(-n2nc(C)cc2)c(c1)Br)Br	926
+n1cc(cc(-n2nc(C)cc2)c1)F	10418
+Nc1c(F)cc(cc1)-n2nc(C)cc2	568
+c1c(C)nc(Cn2ccc(NC(C)=O)n2)cc1	10419
+c1([N+]([O-])=O)ccn(-c2cc(c(cc2)Br)OC)n1	568
+c1cc(ccc1C#N)Cn2nc(cc2)[N+](=O)[O-]	309
+c1cc(ccc1)C(CNC(CC)=O)Nc2cncc(-c3ccc4c(c3)c(F)[nH]n4)c2	1806
+c1cc(ccc1[N+]([O-])=O)Cn2ncc3cnc(SC)nc23	10420
+c1c(cc2nn[nH]c2c1)CO	98
+c1c(C)c(c(cc1OCOC)C)-c2cccc(c2C)COc3cc-4c(cc3)C(c5ccccc-45)=O	57
+Nc1cc(-c2[nH]ccn2)ccc1C	0
+c1(-c2n(Cc3nc4ccccn4c3CCC)ccn2)cc(ccc1)C#N	2238
+c1(nn2c(-c3c(Cl)cc(OC)cc3)cccc2c1N)CC	209
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(c2)I)-c3cc(F)ccc3	8
+c1cc(ccc1)COC(NCC2CN(CC2)c3c4cc(ccc4nc(-c5ccccc5O)n3)F)=O	54
+c1ccccc1NC(=O)c2cccc(-c3ccnc4n3ncc4C(c5sccc5)=O)c2	67
+c1c(N)cc(-c2ccnc3n2ncc3C(=O)c4sccc4)cc1	0
+c1(-c2ccnc3n2ncc3C(=O)c4sccc4)cc(C(=O)O)ccc1	1
+c1(-c2cn(CCc3ccccc3Cl)cn2)nccc(C#N)c1	274
+C(O)c1ccnc(-c2cn(Cc3ccccc3Cl)cn2)c1	49
+Nc1cc(-c2cn3nc(ccc3n2)Cl)ccc1C	0
+c1(-c2cnccc2)nc(Oc3cccc(C#N)c3)c(cn1)C(=O)O	6
+c1(-c2cnccc2)nc(Oc3cccc(C#N)c3)c(cn1)C(=O)OCC	185
+c1c(N)cc(-c2csc(n2)-c3cncnc3N)cc1	0
+c1(ccnc(-c2nc(C)cs2)c1)C=O	39
+c1(-c2nc(C)cs2)nccc(CO)c1	98
+c1ccccc1CNc2c(C#N)c(-c3ccc4OCOc4c3)nc(N)n2	10421
+c1(-c2nc3c([nH]2)ncc(N)c3)c(Cl)ccc(NC(=O)c4occc4)c1	13
+c1(-c2nc3c([nH]2)ncc(c3)Br)c(Cl)ccc(N)c1	0
+c1c(N)cc(-c2nccc(OC)c2)cc1	0
+c1(cc(CO)c[nH]1)-c2ncccc2	351
+c1cc(ccc1CC(C)(C)C(N2CCCC(CNC(=O)Nc3cc(-c4n(nnn4)C)ccc3)C2)=O)F	10
+c1(-c2noc(n2)C)ccc(C)c(NC(=O)c3n4c(nc3)ccc(Br)c4)c1	466
+n1c(cnn1Cc2nc(co2)COC)NC(=O)c3c(-c4cc(C)ccc4)oc(n3)C	10422
+c1ccccc1-c2c(c(F)ccc2)C#N	11
+s1c(Br)c(C(Nc2c(cc([N+]([O-])=O)cc2)O)=O)cc1C	10423
+c1(Br)c(C)c(C(=O)O)no1	6
+C=1C(=O)N(c2c(cnc(n2)SC)C=1)Cc3ccccc3Br	10424
+c1cc(ccc1Oc2ccc(cc2)CN(Cc3c(cccc3)Br)c4c(c(ccc4)[N+]([O-])=O)C)CCC(OC)=O	507
+C1CN(CCN1Cc2c(cccc2)Br)c3ccc(cc3)C(OCC)=O	131
+O(C(=O)CCc1cncn1Cc2ccccc2Br)C	10425
+c1cc(ccc1)COc2nc(c(Cl)cc2)Br	430
+c1cc(ccc1)-c2cccc(N)c2C#N	11
+c12c(Cl)nccc1c(Br)ccc2	174
+c1c(C)oc(c1)CNc2ccc3c(Br)cccc3n2	554
+c1c(Br)cc(cc1N)Br	0
+c1c(Br)cc(cc1OCc2ccc(cc2)OC)Br	1118
+c12c(CCN(C1=O)c3cc(cc(Br)c3COC(C)=O)F)n4c(CCCC4)c2	1464
+c1(Br)cc(cc(Br)c1)[N+](=O)[O-]	480
+[nH]1c(CCCCCCC(OC)=O)nc2cc(ccc12)Br	791
+Cc1cccc(C)c1-c2cccc(C(=O)OC)c2C	11
+c1(cc(cc(C)c1-c2cccc(c2C)C(OC)=O)OCOC)C	11
+C(O)c1c(cccc1Br)OC	49
+c1c(CO)c(c(Br)cc1)C	49
+c1cc(ccc1Nc2ccc(cn2)-c3n(CC)ccn3)Cl	4795
+COc1cc2c(C)coc2cc1	10426
+c1(C(=O)C)c(ccc(OC)c1)OCC(=O)O	4
+c1(cccc(OCc2cc(c(cc2)Cl)Cl)c1)C(=O)COc3c(ccc(C#N)c3)F	702
+Oc1c(cccc1)N(C(c2cc(c(cc2)Cl)Br)=O)C	5
+c1cc(ccc1)CCN2CCc3c(ccc(Oc4ncc(C(N)=O)cc4)c3)CC2	28
+c1(c2ccc(cc2sc1CC)Oc3c4c(ncc3)cc(C(=O)N5CC(CC5)OC)s4)C(NC)=O	680
+Cn1c2ccccc2c(CNC)c1	3143
+c1ccccc1COC(=O)NCC2CCCC(C2)NC(c3c(onc3-c4c(cncc4)F)C)=O	5006
+c1cc(ccc1CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O)[N+]([O-])=O	259
+c1ccccc1COc2ccc(Cl)cc2Cn3cc(NC(c4c(Cl)cccc4F)=O)cn3	1404
+c1(c(F)c(c(c(F)c1F)F)OC(=O)c2[nH]c(c(c2)Br)C)F	852
+O=Cc1cc(C(=O)O)cc(C)c1	39
+C(C(Oc1cc(cc(Oc2cc3c(cc2)C(N(CO3)C)=O)c1)C(=O)O)C)OC	46
+c1cc(ccc1CNC(c2c[nH]c(c2)-c3n[nH]c4c3cccn4)=O)Cl	56
+c1ccccc1CNC(c2cnc3[nH]ccc3c2)=O	56
+c1cccc2c1Sc3ccccc3C(N2)=O	67
+c1cc(ccc1CCC(=O)OC)S(C)(=O)=NC(=O)c2cnc(N)c(C#Cc3cccc(c3)NC(=O)c4occc4C)c2	3144
+C1CC2N(c3c(cc(CO)cn3)NC2=O)CC1	382
+Nc1sc(C(=O)OC)c(CO)n1	88
+C(c1ccc(CO)nc1Cl)(=O)OC	398
+c1ccccc1COc2ccc(cc2)-c3nc(cc(C(=O)OC)c3N)Br	119
+c1cc(c(C(Nc2cc(C(=O)O)ccc2)=O)cc1)C	1
+c1cc(ccc1CN2Cc3c(ccc(Cl)n3)C2=O)OC	10427
+c1(C(=O)OC)ccc(Cl)nc1CCl	174
+C1CCC(C(C1)C)Nc2c(cc(C(=O)OC)cc2)NC(=O)Cc3cncs3	33
+c1c(c(OC)c(Br)cc1)CO	98
+C(=O)(O)c1[nH]c(C)c(Cl)c1Cl	6
+c1cc(Br)c(c(C(=O)O)c1OC)Cl	6
+O=S(=O)(c1ccccc1)Nc2c(c3c(CCCC3)s2)C(=O)OCC	10428
+c1c(nn(-c2c(Cl)cccc2)c1Sc3ccc(C)cn3)C=O	1406
+c1(C(C(N)CO)C)[nH]cnc1	95
+c1(ncccc1Cl)C(CO)C	44
+c1cc(ccc1C2CC2C(NC(c3cc4CCOc4cc3)C)=O)Cl	9
+c1c(N)cc(C(C)N)cc1	0
+c1ccccc1C(Cc2ccc(cc2)OCC(O)c3nc(NC)ccc3)CC(OCC)=O	1791
+C1N(CCc2c(c(C)sc12)CCBr)C(=O)C	5007
+c1cc(ccc1Cl)CCNC(=O)c2cc(c(cc2)Cl)[N+]([O-])=O	93
+c1ccccc1C(C)(C)NC(=O)c2cc(Cl)c(cc2)F	93
+c1cc(ccc1C#N)NC(c2ccc(OC)cc2[N+]([O-])=O)=O	50
+C(c1ccc(O)c([N+]([O-])=O)c1)(N2CCOc3ccccc23)=O	448
+o1nc(C)nc1C(C)NC(=O)c2cc(cc(-c3ccc(C)cn3)c2)-c4occn4	14
+c1(C(NC(C)=O)CCO)cccc(F)c1	44
+c1(cccc(F)c1)C(CC=O)NC(C)=O	24
+CCC(=O)CNC(c1ccc(C)nc1Cl)=O	86
+c1c(C(NCC)=O)cccc1C(=O)O	1
+c1(C(NCc2cc3c([nH]c(C(=O)OC)c3)nc2)=O)c(C)ccc(N)c1	0
+c1c(c(O)ccc1)C(Nc2cc(ccc2)F)=O	173
+c1cc(C(C#CC(OC)=O)=O)cc2c1OCO2	3145
+O(C)c1ccccc1Nc2c(c(C(=O)O)ccc2)C(O)=O	1
+O=C(c1c(c(Nc2ccc3OCOc3c2)ccc1)C(O)=O)O	1
+c1cc(c(Cn2c3c(c(C(OC)=O)ccc3)c(C=COC)c2)cc1Cl)OCc4c(F)cc(Cl)cc4	5008
+C1(C(CCNC1)NC(c2cc(Cl)c(C)[nH]2)=O)OCC	215
+c1cc(ccc1C(=O)OC)-n2c(C)nc3c2cccc3	5009
+c1ccccc1C(C)n2c3ccccc3c(C(OCC)=O)c2C	10429
+c1(C=O)cc(c(cc1)-n2cc(nc2)C)OCC	431
+c1c(ncn1-c2cc(Cl)ncn2)C	10430
+c1cc(ccc1C(OC)=O)-c2c(ccc(c2)N)C	11
+c1(cc(c(C)cc1)Br)C=O	39
+c1cc(ccc1-c2cn3cc(c(cc3n2)C)Br)N(C)C	440
+c1(C)c(C#N)ncc(c1)C=O	200
+Cc1nccc(C)c1CO	351
+c1(C)n(nc(C)c1CC(=O)NCc2ccc(cc2Cl)F)CC(=O)OCC	9
+c1cc(ccc1OC)C(c2cccc(C)c2F)=O	705
+c1(C)cc(N)c([N+]([O-])=O)cc1F	106
+c1(I)ccc(C)cc1C(=O)N2C(C)CCCC(COc3ccc(c(C)c3)F)C2	30
+c1ccccc1Oc2c(cc(cc2)[N+](=O)[O-])C	46
+c1cc(ccc1Cl)-c2c(cnc(F)c2)C	1164
+n12cc([N+]([O-])=O)cc(C)c1nnc2C	757
+Oc1c(cccc1)NC(c2ccc(C)c(Br)c2)=O	67
+c1(C)c(Br)cc(cc1)CO	217
+c1ccc2c(sc(n2)N3NC(c4cc(Br)c(C)cc4)=CC3=O)c1	1916
+c1(c(N)ccc(OCC)c1)C	0
+C(c1cccc(C=CC(c2cc(C)c(cc2)O)=O)c1)(=O)O	307
+c1cc(ccc1Oc2c(C)cccc2)-c3cccnc3N	754
+C(CCC)(c1c(c2c(nc1)c(C)ccc2)O)=O	3523
+c1(C)c(n(C)nc1)-c2cc(C(=O)O)sc2Cl	1
+c1ccc(c2cc[nH]c12)-c3cc4c(c[nH]n4)c(NC(c5n(C)ncc5C)=O)c3	187
+c1(C)c(n(C)nc1)C(=O)O	1
+c1(C)c(ncc(N)c1)C(OCC)=O	13
+c1(C)c(CO)sc(Br)c1	59
+O=Cc1c(Br)cc(C)c(OCC)c1	39
+c1(C)cc(Br)c(CO)cc1OCC	49
+c1(ncc(cc1[N+]([O-])=O)Cc2cnccc2)NCCCc3ncc(cc3C)Br	70
+c1(ccc(C(=O)NCc2ccc(C#N)cc2O)cc1C)F	14
+c1(cc(cnc1N2C(COC)CCC2)-c3onc(-c4cc(ccc4OC)F)n3)C	1828
+c1(C)cc(C(CCC(=O)O)O)ccc1F	4
+c1(C)cc(c(CN)c(OC)n1)C	388
+c1(C)nc(cc(C=O)c1)CC	39
+c1(C)cc(Cl)c(cc1F)C(=O)O	1
+c1ccccc1CNc2cc(nc(N)n2)C	40
+c12CN(CCc1nccc2)c3cc(C)c(c(n3)N4CCC(F)C4)[N+]([O-])=O	43
+c1(c(N)cc(C)c(F)c1)N	0
+c1cnccc1-c2c3c(OCC3)c(cc2C)N	498
+c1cc(ccn1)-c2c3CC(Oc3c(cc2C)N)C	498
+c1cc(ccn1)-c2c(cc(c3c2CC(O3)COC)N)C	498
+c1(C)c(F)ccc(c1)NC(c2cccn2C)=O	187
+Nc1cc(C)c(nc1)CCCCN	51
+c1cc(ccc1F)CN2CCN(c3cc(C)c(C(OCC)=O)s3)C2=O	1083
+Clc1cccc(Cl)c1C(=O)Nc2c(cnc(Nc3cc(C)nc(C)n3)c2)[N+]([O-])=O	50
+CC(Nc1c2CCCC(c2c(c(F)c1)C)=O)=O	214
+Nc1c(N)c(c([N+]([O-])=O)c(C)c1)C	0
+c1(C)cc(c(N)cc1F)Br	0
+c1(cc(cc(C)c1)-c2nc(cnc2-c3cc(C)cc(c3)C)Cl)C	2903
+c1(C)cc(cc(C)c1)C(c2cc(C)cc(C)c2)N3C=CC=C(C3=O)C(=O)O	127
+c1c(C)cc(cc1Nc2c(c(C#N)ccc2)[N+](=O)[O-])C	275
+Cc1cc(cc(C)c1)Nc2c(C#N)c(SC)nc(SCC)n2	73
+c1(C)cc(cc(C)c1)Nc2nc(ccn2)-c3c(-c4ccccc4)sc(n3)N	1359
+c1(C)cc(cc(C)c1)NC(c2cccnc2SCc3ccnc(F)c3)=O	246
+C(C)CC(c1c(cc(C)cc1C)O)=O	4443
+C(c1c(C)cc(C)cc1O)C=C	423
+Cc1cc(cc(C)c1-c2cccc(C(O)=O)c2C)OCC3COC(C)(C)O3	1
+c1(C)cc(cc(C)c1-n2c3nc(C)cc(NCCNCCc4ccc(c(OC)c4)OCC)c3nc2)C	284
+c1(C)cc(cc(C)c1-n2c3nc(C)cc(NCCCl)c3nc2)C	15
+c1cc(ccc1)COc2cc(C)c(c(C)c2)CC(CC=C)C(=O)N3C(Cc4ccccc4)COC3=O	10431
+Cc1cc(cc(C)c1Cn2c(C(O)=O)cc3c2cc(C#N)cc3)C	1
+c1(C)cc(cc(C)c1NC(OCC)=O)CNc2cccc(c2)F	208
+c1(C)cc(cc(C)c1O)-c2oc3c(n2)c(OCCC)nc(Cc4ccc(cc4)Cl)n3	5
+Cc1cc(cc(C)c1OC)N	0
+c1c(C)c(c(cc1-c2nc(O)c3c(OC)cc(OC)cc3n2)C)OCC(=O)NCc4ccccc4	9
+c1c(C)c(c(cc1C#N)C)Oc2nc(Nc3ccc(cc3)C#N)nc4ccn(C)c24	744
+c1c(C)nc(cc1-c2nc3cc(cc(F)c3c(O)n2)F)C	748
+c1cc(ccc1)CN2C(CCCC(COc3cc(C)c(F)cc3)C2)C	126
+c1(C)cc(N)cnc1CCCC#N	13
+c1(C)cc(nc(Cl)n1)C#N	331
+c1(C)nc(Cl)nc(CO)c1	398
+c1(nc(Cl)nc(C)c1)C(=O)O	1
+c1(C)c(N)cnc(c1)C(OCC)=O	13
+c1cc(ccc1-c2ccccc2)C(N(C(=O)CN3C(=O)Oc4c3cc(c(C)c4)OC)C)CN5CCOCC5	10
+c1(C)ccc(Cl)c(Oc2c(c(F)cc(c2)Br)Cl)c1F	46
+c1(Oc2c(Cl)ccc(C)c2F)cc(cc(Br)c1)C#N	46
+c1c(C)c(c(cc1)C)-c2cc(COc3cc4cc[nH]c4cc3)ccc2	657
+c1cc(ccc1)Nc2c(N)ncc(-c3c(C)cccc3C)n2	10432
+c1ccccc1Nc2cccc(c2)-c3ncn(-c4c(C)cccc4C)c3	1370
+c1(C)cccc(C)c1CNc2cc(C(N)=O)cn3c(C)c(nc23)C	2951
+c1(C)cccc(C)c1CNc2c3nc(CO)c(n3ccc2)C	874
+c1(cccc(C)c1COc2cccc(c2)C#N)C	20
+CC(C)c1onc(c1COC)COc2c(C)cccc2C	1043
+c1cc(ccc1OCc2c(C(C)C)onc2COc3c(C)cccc3C)-c4cc5cnc(C(OC)=O)cc5cc4	10433
+c1(n(CC(O)=O)nc(C)c1CC(=O)NCc2ccc(cc2Cl)F)C	3
+c1(C)n(nc(C)n1)-c2c(C)nn3c2oc(C)c3-c4c(cc(cc4)OC)C	10434
+c1(C)n(nc(C)n1)-c2c(C)nn3c2oc(C)c3-c4c(C)cc(O)cc4	5
+c12c(cccc1)C(=O)N(C2=O)OCC#Cc3cccc(-c4nc(C)cc(c4)OC)n3	10435
+c1(C)nc(Cl)cc(CO)c1	49
+c1(C)cc(nc(Cl)n1)C=O	178
+c1(C)nc(OC)ccc1N2CCCn3c4c(c(Cl)ccc4CO)nc23	295
+c1(C)nc(OC)ccc1N2CCCn3c2nc4c(Cl)ccc(C=O)c34	200
+c1(C)cc(CO)cc(n1)CC	49
+c1(C)nc(nc(C)c1)N2CCC3(CC2)CCCC(=O)N3Cc4c5c([nH]cc5)ccc4	5010
+c1(C)nc(on1)-c2cc(c(C)cc2)O	241
+c12c(COc3cc(-c4nc(C)no4)ccc3C)nn(C)c1ncnc2Cl	951
+c1(C)nc2c(NCc3c(C)cccc3CC)cc(C(=O)O)cc2n1C	6
+c1(C)nc2c(NCc3c(C)cccc3CC)cc(cc2n1C)Br	10436
+c1ccccc1C(NC(Cc2cc(NC(c3c(ccnc3C)C)=O)c(O)cc2)=O)c4c(cc(Cl)cc4)C	246
+c1c[nH]c2ccc(cc12)-c3c(C)sc(n3)NC(=O)Cc4ccc5OCOc5c4	1452
+c12ccccc1[nH]cc2C3C(CNC3)c4c5cccc6CCCn(c4)c56	15
+c1ccc2c(c1)[nH]cc2C=3C(N(C)C(=O)C=3c4cn(c5ccccc45)C)=O	10437
+C1CC(CCC1c2c(F)cc(cc2)Br)CCC	191
+c1cc(ccc1C#N)C(NNC(=O)C(C(C)O)Nc2ccc(c(Cl)c2C=C)C#N)=O	708
+CCc1c(n(C)nc1)-c2c(C)sc(c2)C(=O)OC	10438
+c1(ccc(cc1[N+]([O-])=O)-c2ccc(cc2C)C(=O)OC)CC	1393
+c1c2c(c(n(C)c2ccc1)CN(C)C(=O)C=Cc3cc4OCC(Nc4nc3)=O)C	404
+c1ccccc1C(c2ccccc2)N(CCN(CCCCNC(C=Cc3cnccc3)=O)C)C	711
+c1c(C=CC(N(Cc2n(c3c(cccc3)c2)C)C)=O)cccn1	404
+C(c1c2c(nn(C)c2C)ccc1CCC(OC)=O)(=O)OC	159
+CCCCCCOc1c(cc(cc1)CC[N+]([O-])=O)OCCCCCC	364
+c1(C(OC)=O)cccc2n(Cc3c(ccc(Cl)c3)OCc4c(F)cc(Cl)cc4)cc(C=O)c12	190
+C(OC)=Cc1c2c(ccc1OC)cccc2	10439
+c1c(C)c(ccc1CO)O	41
+c1(C=O)cc(Cl)c(cc1)CNc2ncccc2	10440
+c1cc(ccc1Cl)C(c2ccc(c(c2)Cl)F)O	257
+c1(Cl)c(ccc(CO)c1)-c2cc(ccc2)C#N	41
+c1(I)cc(ccc1)C=C	443
+C(c1ncccc1)(O)c2cc(OCC)c(cc2)[N+]([O-])=O	3059
+c1cc(cc(OCCC)c1OC)CO	41
+O(CC)C(C=Cc1cc(OCCCOC)c(cc1)O)=O	530
+c1(C=O)cc(OCCCOC)c(cc1)O	5
+c1(cc(c(F)cc1)O)C=O	5
+c1(C=O)cc(OC)c(cc1)-n2cnc(C)n2	2267
+c1(C=O)cc(c(F)cc1)OC=C	10441
+c1(c(F)cccc1)COc2ccc(C=O)cc2OC	22
+c1cc(ccc1O)C(C=Cc2ccc(O)c(c2)OC)=O	307
+c1(C=O)cc(c(cc1)OCc2ccc(nc2)OC)OCC	751
+Cc1c(COc2cc(ccc2OC)CO)nc(-c3occc3)o1	41
+c1c(c(Cl)cc(c1)CO)OCC=C	41
+Cc1c(COc2ccc(cc2OC)CO)nc(C=CC(OCC)=O)o1	41
+Cc1c(COc2ccc(cc2OC)CO)nc(-c3cc(ccc3)C#N)o1	41
+c1(cccc(C)c1-c2cc(ccc2)C=O)C	11
+C(C=Cc1cc(ccc1)Br)COC	5011
+c1cc(ccc1N=Cc2cc(Br)ccc2)C(OCC)=O	457
+c1cnccc1-c2ccnc3c2cc(cc3)C=O	10442
+c1cc(ccc1)C2C(N=C3NC(=O)C(=Cc4cc5c(OCC)c(cnc5cc4)C#N)S3)C2	10443
+[N-]=[N+]=NC1c2c(CCC1)cc(C=O)cc2	841
+c12cc(ccc1c3c(c(N)n2)nccc3)C=C	443
+c1cc(ccc1Cn2ncc3ccc(C=O)cc23)OC	3919
+OC(c1cc(OCC)c(cc1)OC)c2cc3c(n(C)nn3)cc2	257
+c12c(ccc(c1)C=C3SC(=NC3=O)NCc4ccc(cc4Cl)F)nc(NC)nc2OCC	3587
+c1c(Cl)c(c(cc1)Cl)N=C2NC(C(=Cc3ccc4nc(C)oc4c3)S2)=O	10444
+c1cc(ccc1)-c2ncnc3ccc(cc23)C=O	198
+c1c(OC)c(c(cc1)OC)C2N(C(=O)C(C2)C)Cc3ccc4sc(C)nc4c3	1737
+C(C=Cc1ccc(-n2ncnc2)c(F)c1)=O	10445
+S(c1ccc(CO)cc1F)C	41
+c1c(CC)c(ccc1O)OC	1437
+n1cc(-c2cc(F)c(cc2)C#N)oc1	2288
+OP(O)(=O)Cc1cc(C=O)ccc1O	228
+N(Cc1ccc2nc(SC)sc2c1)c3c(cc(C)cc3)[N+]([O-])=O	208
+c1(NCc2ccc3nc(SC)sc3c2)c(ccc(c1)Br)[N+]([O-])=O	208
+c1c(cc(C(O)c2cccc(F)c2)c(F)c1OC)C#N	1641
+c1c(cc(CO)cc1)OC(C)C(OC)=O	41
+c1ccccc1C(OCCOc2cc(C=O)ccc2)=O	10446
+O=S(C)CCOc1cccc(CO)c1	41
+CC=Cc1cccc(OCOC)c1	2053
+c1cc(ccc1)C(C(NCc2cc(ccc2)[N+](=O)[O-])C)F	42
+c1ccccc1C2(CCN(CC2)CCOCCOC(=O)C(C(C)=O)=Cc3cc([N+]([O-])=O)ccc3)c4ccccc4	2395
+c1cc(ccc1NCc2cc(ccc2)OC3CCCCO3)OCCN4CCCC4	208
+c1cc(ccc1-c2cc(nc3cc(ccc23)Cn4cc(C=O)cn4)C#N)F	309
+O=S(=O)(n1ccc2c(c(cnc12)C=O)Cl)c3ccc(cc3)C	276
+C(c1cc2ccc(cc2cc1)OC)CN	51
+c1ccccc1C(c2ccccc2)OC(C3=C(c4cnc(NC(=O)C)s4)CSC5C(C(=O)N35)NC(Cc6sccc6)=O)=O	952
+c1(c(CCO)cc(c(F)c1)F)OC	21
+c1cc(ccc1CC(C(=O)NC(CC2=CCCC2)C(=O)C3(CO3)C)NC(=O)C(NC(=O)Cc4sc(N)nc4)C)OC	207
+OC(Cc1c(cccc1)-n2nnnc2)=O	3
+C1Cc2ccc(Br)cc2CC(c3ccc(c(c13)C)OC)=O	214
+c1c(nccc1-c2cc(Cl)c(C=3C(N(C)c4c(C=3)cnc(Cl)n4)=O)cc2)C(=O)NC	10447
+CCc1ccnc(N)c1Br	2005
+C(c1cc2c(CCC2=O)[nH]1)(=O)OC	10448
+O(C(c1ccc(Cn2c(c(nc2CCCC)Br)C=O)c(F)c1F)=O)C	371
+c1ccc2cc3c(cc2c1)cc(cc3)Cn4c(CCCC)nc(Cl)c4C=O	371
+c1cc(ccc1C(=O)NCCc2ccccn2)OCCCCCCCCCCCCCC	93
+c1cc(ccc1[N+](=O)[O-])NCCc2ccccn2	60
+C1c2scc(C)c2C(C)=NC1	10449
+C(=O)Cc1ccc([N+]([O-])=O)cc1Cl	24
+c1(CCN)cc(C)cs1	157
+c1ccnc(N2CCC(F)C2)c1COc3c(c(ccc3)O)C=O	751
+n1n(Cc2occ(n2)COC)ncc1[N+](=O)[O-]	10450
+Fc1cccc(F)c1N2c3nc(NCc4ncc[nH]4)nc(-c5c(ccc(C(NCc6ccccc6)=O)c5)C)c3C=CC2=O	306
+Cc1onc(c1CNc2ccc(cn2)C(=O)OC)CCCC	70
+c1[nH]c2ncccc2c1CNc3c(ncc(Br)n3)N	941
+c1c(C(NCc2cccs2)=O)[nH]c3c1cc(cc3Cl)Br	81
+c1cc(ccc1C(=O)NCc2sccc2)Cl	93
+c1(cc(cc(F)c1C(=O)c2c[nH]c(c2)C(NCc3nnc(C)s3)=O)F)F	2406
+c1cc(ccc1-n2cncc2)S(=O)(=O)NCC3CN(c4cc(cc(OC)c4)Br)CCN3Cc5ccc(OC)c(OC)c5	71
+c1cc(ccc1Cl)C2(O)CN(Cc3cc(ccc3)OC)CC2	251
+c1(CN2CC(CC2)=O)cc(ccc1)OC	86
+c12ccccc1c3c(cccc3)nc2CN	18
+c1cc(ccc1Cl)-c2c(cncc2)CO	835
+c1(C=O)c(NC)cc(Cl)nc1	200
+c1(c(NC)nc(Cl)nc1)C=O	1195
+c1(c(NC)nc(SC)nc1)C=O	1195
+c1(cc(C)ccc1C=O)OC(CC=C)C	39
+c1(CO)cccc(-c2nc(C(Nc3c(cnc(C(O)=O)c3C)C)=O)c(cc2)C)c1	6
+c1cc(ccc1)CCCC(C(NC(C)c2nnc(Cc3cc(OC)c(OC)cc3)nc2O)=O)(C(C)=O)C	4901
+c1cc(ccc1)CCCC(C(O)C)C(NC(CC)c2nnc(Cc3ccc(OC)c(OC)c3)nc2O)=O	9
+c1(Cc2ccc(c(c2)OC)OC)nnc(c(O)n1)C(C)NC(C(CCCC=C)C(=O)C)=O	2299
+c1(nc(C)c2n1N=C(NC2=O)Cc3ccc(c(OC)c3)OC)C(C(=O)C)CCCC=C	5012
+c1cc(ccc1NC(=O)c2cc(c(nc2)Cl)Br)OC(F)(F)Cl	246
+c1cc(ccc1Cl)-c2cc(cnc2Cl)C(OC)=O	89
+C(C1CC1c2ncc(OC)cc2)Oc3nc(C)ncc3Br	145
+c1(cc2c(c(Cl)c1Cl)scc2)O	5
+c1cc(ccc1C=O)-c2c(Cl)cc(cn2)C(=O)NCC	140
+Clc1c(F)c(c(c(Cl)c1F)F)S(=O)(=O)Nc2cc(O)c(OC)cc2	69
+Nc1c(Cl)cc(cc1[N+]([O-])=O)O	106
+C(c1c(cc(Cl)c(OC)c1N)Cl)(O)=O	1
+c1(Cl)c(cc(c(Cl)c1N)CN)F	162
+c1ccccc1COc2ccc(cc2Cl)C(=O)O	139
+c1cc(ccc1CCNC(c2cc([N+]([O-])=O)c(Oc3c(cc(CC(OC)=O)cc3)Cl)cc2)=O)Cl	415
+c1cc(ccn1)CCNCc2cc(-c3nc(NCCc4ccc(c(c4)Cl)O)ncc3)ccc2	96
+c1(C=O)cc(Cl)c(cc1)-c2cc(ccc2)C(=O)N	39
+c1(cc(ccc1O)Nc2ncnc3cccc(F)c23)Cl	73
+c1ccccc1COc2ccc(N)cc2Cl	139
+c1cc(ccc1C=O)CSc2cc(c(cc2)O)Cl	1128
+c1(Cl)c(ccc(S)c1)O	1180
+c1(nc2cc(F)c(F)cc2[nH]1)-c3c(Cl)nccc3	4860
+c1(c(nccc1)Nc2cc([N+]([O-])=O)ccc2)C(=O)O	201
+c1(Cl)c2c(c(C(=O)O)cn1)n(C)cc2	1
+c1(cc2c(c(Cl)ncc2)[nH]1)C=O	178
+c1cc(ccc1)CN2C=C(Cl)C=C(Br)C2=O	10451
+c1cc(ccc1Cl)Nc2c(cc(Br)cn2)Cl	201
+Cc1nc2c(OC)c(C(=O)OC)cc(Cl)c2[nH]1	791
+c1(Cl)cc(C(=O)OC)c(OC)c(N)c1NC(C)=O	0
+c1(Cl)cc(CO)c(OC)cc1O	98
+N(c1c(cc(c(n1)-c2cc(ccc2)F)C(OC)=O)Cl)Cc3cc(OC)c(cc3)OC	70
+C1(c2ccccc2C(=O)N1CCCOc3c(Cl)cc(cc3)C4=NNC(CC4)=O)=O	8
+Nc1cc(Cl)cnc1Br	13
+c1c(c(c(c(F)c1Cl)F)N)N	0
+Clc1c2c(C(CCC2)O)nc(C)c1	10452
+c1(Cl)cc(c(Br)s1)C=O	2873
+c1(Cl)cc(C(C)O)c(OC)c(c1Cl)I	74
+c1(Cl)cc(c(cc1O)F)CCCl	165
+c1c(Cl)cc(cc1CCN)Cl	51
+c1c(Cl)cc(cc1C(c2c(CC)c(nc(OC)n2)OC)C#N)Cl	10453
+c1(cc(cc(Cl)c1-n2nc3c(c2)c(Nc4ncnc(c4)C)ncc3F)N)Cl	0
+Clc1cc(cc(Cl)c1Br)Nc2nc(OC)nn2Cc3ccc(cc3)OC	10454
+c1c(Cl)c(c(cc1C(NCCC)=O)Cl)C(c2c3c(c(NC(C)=O)ncc3)[nH]c2)=O	787
+c1(Cl)cc(cc(Cl)c1CO)[N+](=O)[O-]	1146
+c1cc(ccc1)COc2cc(Cl)c(c(Cl)c2)CO	41
+Clc1cc(cc(Cl)c1C=O)[N+](=O)[O-]	39
+c1(cc(cc(Cl)c1Oc2cc(c(O)cc2)C(NCCCCCCCCC)=O)[N+](=O)[O-])Cl	5
+Clc1cc(cc(Cl)c1Sc2cc3ccccc3cc2)N	0
+Clc1cc(cc(Cl)c1Sc2nc3c(ccc(C#N)c3)s2)N	0
+c1cc(ccc1C(C)Nc2nc(Cl)cc(c2)C(C)=O)F	70
+c1cc(ccc1)S(=O)(=O)n2cc(c3cc(cnc23)Cl)C=O	276
+c1(-c2c(cc3ncoc3c2)Cl)cnc(cc1)NC(c4c(cccc4)Cl)=O	330
+c1cc(ccc1O)C(c2ccc(cc2)OCCCl)=C(c3ccc4c(cc(Cl)o4)c3)CC	1051
+N(Cc1n(nc(C)c1)C)c2c(Cl)ccc(c2)O	729
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4cc5C(=O)C=C(Oc5cc4)C(OCC)=O	1411
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4ccc5c(cc(C(=O)OC)cc5)c4	1411
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4cc5c(c(ccn5)C(=O)OC)cc4	1411
+c1c(Cl)c(c(cc1)Cl)-c2c(c(on2)C(C)C)COc3cc4ccc(cc4cc3)-c5ccc(C(OC)=O)cn5	1411
+c1(Cl)cccc(Cl)c1-c2noc(c2COc3ccc(cc3)-c4ccc5c(c4)ccc(C(O)=O)n5)C6CCCC6	1
+Clc1cccc(Cl)c1C(=O)NC(Cc2ccc(cc2)OCCCCl)C(O)=O	4
+Clc1cccc(Cl)c1C(=O)NC(Cc2ccc(cc2)C3CCN(CC3)S(=O)(=O)C)C(O)=O	4
+c1c(Cl)c(c(cc1)Cl)CC=O	24
+c1cc(ccc1OCc2c(CCc3c(cccc3Cl)Cl)noc2C(C)C)-c4cc5c(cccc5C(=O)OC)cc4	20
+c1cc(ccc1OCc2c(CCc3c(cccc3Cl)Cl)noc2C(C)C)-c4ccc5c(cc(C(=O)OC)cc5)c4	20
+c1(Cl)cccc(Cl)c1COc2cc(-c3cc4c(cc3)[nH]c(C(O)=O)c4)cnc2N	6
+c1(Cl)cccc(Cl)c1COc2c(N)nccc2	161
+c1cc(ccc1N)Oc2cc(C)ncc2	242
+c1cc(ccc1Cc2noc(c2)-c3ccc(N)nc3N)OCc4nccc(c4)Cl	412
+c1ccn(c1)-c2ccnc(CO)c2	10455
+c1cc(ccc1)N2N3CCCC3=C(C2=O)C(=O)Nc4ccc(Oc5cc(C(N)=O)ncc5)cn4	5013
+c1ccccc1N2N(C(=C(C2=O)C(Nc3cc(c(Oc4ccnc(c4)C(N)=O)cc3Cl)F)=O)C)C	242
+c1ccccc1N2N(C(=C(C(Nc3ncc(Oc4cc(C(N)=O)ncc4)cc3)=O)C2=O)C)C	5013
+c1(c(Cl)cnc(Cl)c1)Nc2c(C(NC)=O)cccc2F	2272
+c1(ncc(c(Nc2c(cccc2)C(=O)NC)c1)Cl)Cl	2272
+c1(C=O)cc2c(cc1)ncc(Cl)n2	760
+c1ccccc1-c2c(c(Cl)cnc2)N3CC(C3)c4nc5cc(C)ccc5[nH]4	10456
+Clc1csc(c1)-c2nc(ccc2)C	10457
+c1ccccc1N2C(=O)c3c(C=C2C(Nc4c(I)cnc(Cl)n4)C)cccc3-c5cn(nc5)C	2596
+n1c(F)nc2c([nH]cn2)c1NCc3cnccc3	516
+c1cc(ccc1Cl)Nc2c3[nH]cnc3nc(Cl)n2	1185
+c1cc(ccc1)Oc2cc(cnc2Nc3nc4c(nccc4)s3)Br	10458
+c1c(cccc1I)Nc2c([N+]([O-])=O)cccn2	201
+c1ccccc1Nc2ncccc2[N+]([O-])=O	201
+c1ccccc1Oc2c(cccn2)[N+]([O-])=O	136
+c1cc(ccc1C(=O)C(OCC)=O)Nc2c(cccn2)[N+]([O-])=O	201
+c1cc(ccc1Nc2c(cccn2)[N+]([O-])=O)Cl	201
+c1ccccc1CN2CCC(CC2)Nc3c([N+](=O)[O-])cccn3	70
+c1(cccnc1Nc2cc(ccc2)C=Cc3cncc(Br)c3)[N+]([O-])=O	201
+c1nc(ncc1)N2CCC(CC2)Oc3c(C)c(Cl)ncn3	145
+c1cc(ccn1)Sc2sc(NC(=O)C)nc2	10459
+c12ncccc1sc(n2)Oc3cc4sc(C(=O)OC)cc4cc3	10460
+c1cc(ccc1)-c2cc(C(=O)OC)c(cc2F)OC	11
+c1cc(ccc1)CSc2c(cc(N)c(c2)C=CC(=O)OCC)F	607
+c1(F)c(Br)cc(C=O)c(N)c1	0
+c1(F)c(Br)cc2N3C(c4c(cc(cc4)F)Oc2c1)C(N)CCC3	10461
+c1(CO)c(F)cc(cc1O)Br	49
+c1(F)c(Cl)ccnc1CO	174
+Fc1c(F)c(c(c(F)c1)F)CC(Nc2ccnc(O)c2-c3[nH]c4cc5c(c(c4n3)C)CN(C5=O)CCN(C)C)C	1598
+c1cc(ccc1)COc2c(cc(c(F)c2)F)[N+]([O-])=O	22
+c1(cc(c(c(c1)C(=O)Nc2c(c(ccc2F)O)F)C)C)-c3cc(F)ccc3	67
+c1(cc(ccc1)F)-c2cc(C(Nc3c(F)ccc(O)c3F)=O)c(C)c(F)c2	67
+C1CC(c2c(F)c(cc(F)c12)Br)=O	214
+c1c(c(F)cc(C=O)c1N)Br	0
+c1c(ccc(Oc2cc(N)c(cc2Br)[N+]([O-])=O)c1F)F	46
+C1CC(CCN1c2ncc(cn2)CC)n3c4cc(F)c(Br)cc4cc3	3705
+c1(F)c2Cc3c(ccc(C=CC)c3F)-c2ccc1	2576
+c1(F)c2Cc3c(ccc(CCC)c3F)-c2ccc1	374
+[nH]1c2c(c(NC(c3nccnc3)=O)c1)c(F)c(cn2)Br	1285
+c1(F)c2c(N)c[nH]c2ncc1Br	13
+c1(F)c2c(N)c[nH]c2ncc1Cl	13
+c1(F)c2c(N)c[nH]c2ncc1OCC	13
+c1(c(cc(F)c2c1cccc2)C(O)=O)O	5
+c1(F)cc(c(cc1C)C(NCc2c(cc(cc2)Br)F)=O)OCC(=O)O	3
+Fc1cc(c(cc1C)C(NCc2c(cc(cc2)Br)F)=O)O	5
+c1(cc(cc(F)c1)Nc2c(C(OC)=O)cccn2)F	3147
+c1(F)cc(cc(F)c1)N2C(c3cc(cc4C(=O)C=C(N5CCOCC5)Oc34)C(O)=O)CCC2	1
+c1c(F)cc(cc1Oc2cc(OC(C)COC)cc(c2)C#N)F	304
+c1cc(ccc1Oc2cc(F)cc(c2)F)O	5
+c1(F)cc(cc(F)c1)Oc2ccc(cc2)OC(C)CO	44
+c1(F)cc(cc(F)c1-c2cnccc2)N3CC(CN)OC3=O	18
+Fc1cc(cc(F)c1-c2scc(n2)C(O)=O)OC	1
+c1(F)cc(cc(F)c1C2=CCN(CC2)C(=O)C3OC(C)(C)OC3)N4CC(CO)OC4=O	59
+c1(F)cc(cc(F)c1F)NC(Nc2cc(ccc2)Nc3ccc4c(c3)NC(=O)C4=Cc5ccc[nH]5)=O	292
+c1(cc(cc(F)c1[N+](=O)[O-])N(c2cc3oc(c(C(NC)=O)c3cc2C4CC4)-c5ccc(cc5)F)S(=O)(=O)C)F	3058
+Nc1cc(cc(c1C(=O)O)F)Br	0
+c1(F)cccc(F)c1-c2c3OC(Cc3ccc2)CN	18
+c1(F)cccc(F)c1-c2cccc3CC(COS(=O)(=O)c4ccc(cc4)C)Oc23	36
+c1cc(ccc1-c2c3c(O)nccc3n(-c4c(F)cccc4F)n2)N5CCOCC5	104
+Fc1cccc(F)c1C(=O)C(C(OCC)=O)=[N+]=NS(=O)(=O)c2ccc(cc2)NC(=O)C	10462
+c1c(F)c(c(cc1)F)C(Nc2ccn(n2)Cc3ccc(cc3OCc4ccccc4)Cl)=O	309
+c1ccccc1COc2ccc(c(c2)C)Cn3ccc(NC(c4c(cccc4F)F)=O)n3	309
+c1ccccc1COc2ccc(c(c2)Cn3ccc(NC(c4c(cccc4F)F)=O)n3)Cl	309
+c1ccccc1COc2cc(c(Cn3nc(NC(c4c(cccc4F)F)=O)cc3)cc2)Cl	309
+c1(F)cccc(F)c1N2C(=O)C=Cc3c(-c4cc(C(NCc5ccccc5)=O)ccc4C)nc(nc23)SC	14
+c1cc(ccc1COc2c(cc(Br)cc2)CN3CCC(CC3)(CNC(Nc4c(cccc4F)F)=O)O)Cl	282
+c1(cccc(F)c1Oc2ccc(cc2)[N+]([O-])=O)F	46
+c1ccccc1COc2cccc(F)c2[N+](=O)[O-]	57
+c1(c(F)c(C(O)=O)c(cc1)Cl)OCc2c(F)cccc2	22
+c1(F)cccc(F)c1NC(c2oc(cc2)Cc3cc(ccc3OCc4c(F)cccc4)Cl)=O	22
+c1cc(cc(-c2nc(-c3ncoc3)n(n2)Cc4c(F)cccc4)n1)Br	4022
+C=1(C(N(C=C(C=1)Cc2ccc(cc2F)F)Cc3c(F)cccc3)=O)I	10463
+c1cc(ccc1CO)CCN2C=CC(=CC2=O)OCc3c(F)cccc3	3776
+c1cc(ccc1N2CCn3c(cc(OCc4c(cccc4)F)n3)C2=O)F	10464
+c1cc(ccc1OCc2c(F)cccc2)CSCCC(=O)OCC	22
+c1(c(c(Cl)ccn1)C#Cc2cnc(cc2)N)CC	2281
+c1(I)cc(c(OC)cc1F)O	173
+c1(C(=O)O)cc(Cl)c(c(I)c1)OC	1
+c1ccccc1C(CC)C(Nc2ccc(c(C(=O)N)c2)I)=O	26
+c1(I)c(cc(N)cc1)C(=O)N	0
+c1cc(ccc1)C#Cc2c(NC(C)=O)n[nH]c2C	1249
+c1ccccc1-c2c3c(cnc(Br)c3)n(n2)C4CCCCO4	1196
+Fc1cnc2c(c1I)c(C(=O)c3c(F)c([N+]([O-])=O)ccc3F)c[nH]2	3962
+c1cc(ccc1-c2cc(ccc2)NC(Nc3cccc4CCC(O)Cc34)=O)C	134
+Oc1c(c(c2c(n1)nc[nH]2)N)-c3nc4c([nH]3)cccc4	10465
+CCCCn1cnc(c1N)C(=O)N	2840
+c1cc(C(Nc2c(C(=O)N)nc(s2)Nc3cc(F)ncc3)=O)cc([N+]([O-])=O)c1OCCOC	10466
+c1cc(ncc1Br)OCC(Nc2c(C(=O)OC)csc2)=O	4872
+c1(N)c(ccc(O)c1C)C#N	4366
+c1cc(ccc1C)S(=O)(=O)Nc2cc(ccc2NC(C)CO)Br	69
+c1c(ccc2nc(-c3ccc(N)c(I)c3)sc12)O	5
+c1cc(ccc1COc2cc(Br)cc(Nc3cnccc3)c2)OC	2998
+c1cc(ccc1)COc2cc(Br)cc(Nc3cnccc3)c2	2998
+c1c(cc2c(n[nH]c2c1)C(Nc3cccnc3)=O)Br	510
+c1cc(ccc1COc2ccc(C=O)cc2C(=O)Nc3cnccc3)F	487
+c1cc(ccc1)OC(=O)Nc2cnccc2	950
+n1c(Cl)c([N+]([O-])=O)c(nc1)Nc2ccnc(Cl)c2	73
+c1cc(Br)nc(c1[N+]([O-])=O)Nc2ccnc(Cl)c2	1759
+c1ccccc1CC(=O)Nc2cc(O)ncc2	26
+c1c(cn[nH]1)N2C(=O)c3c(cc(cc3C)-c4cnc(OC)c(OC)c4)C2	10467
+c1cc(ccc1)OC(=O)Nc2ccc(nc2)-n3nnnc3	950
+C(C)OC(c1cnc(c(C)c1)Nc2ccc(C)nc2)=O	1970
+c1ccccc1-c2ccc(cn2)N	119
+c1cc(ccc1)OC(=O)Nc2ccc(C#N)nc2	950
+N(c1cnc(cc1)C(OC)=O)C(=O)C2CCCN(c3nc(c4ncsc4n3)Nc5ccc(OC)c(c5)OC)C2	469
+c1cc(cc(c1OC)C(c2c(N)nc(cc2)Cl)=O)F	3060
+c1cc(ccc1F)C(c2c(N)nc(cc2)Cl)=O	10468
+c1ccccc1Nc2cc3c(sc(c3C)-c4nc(N)ncc4)cc2	3099
+c1cc(ccc1C#N)Nc2ncc(c(NCCC)n2)C(OCC)=O	490
+C(C#C)N1C(NC(N(C1=O)c2c(Cl)cc(F)c(c2)N)=O)=O	106
+c1cc(ccc1-c2c(cc(N3C(=O)OC(COc4nocc4)C3)cc2)F)CO	134
+c1ccccc1Cn2nnc(c2)-c3c(cc(cc3)N4CC(OC4=O)Cn5nnc(c5)C)F	2352
+c1(N2CCOCC2C)nc(Cl)nc(CO)c1	398
+c1(cc(N2CCOCC2C)nc(n1)Cl)C(=O)O	1
+c1cc(ccc1OCc2csc(NC(=O)C)n2)CCCCn3ccnn3	2088
+c1(c(cc(N2C(=O)C=CC=C2)cc1)C(=O)O)NC(=O)CCNC(c3sc(cc3)Cl)=O	1
+Nc1c(C(=O)C)cc(c(c1)OC)CC	106
+Nc1ccc(c(CC)c1F)Cl	106
+Nc1c(C(=O)OC)cc(c(Cl)c1)[N+]([O-])=O	106
+c1cc2c(c(c(C(=O)C)c(O)n2)O)cc1I	10469
+c1(NC2CCCOC2)c(N)cnc3ccsc13	13
+c1cc(ccc1Oc2c(c(c(cn2)[N+]([O-])=O)NCC)Br)F	136
+c1c(N)c(NCc2ccc3c(oc(SC)n3)c2)cc(Cl)c1Br	0
+c1c(cc(NCc2ccc3nc(SC)sc3c2)c(N)c1)Br	0
+c1c(cc(NCc2cncc(F)c2)c(N)c1)Br	0
+n1c(C(O)=O)c2c(cc(cc2)Nc3ccccc3C(OC)=O)n1C4CCCCO4	1
+c1(Nc2ccnc(n2)Nc3cccc(C(=O)O)c3)c(Cl)ccc4OCOc14	55
+c1cc(ccc1)COc2cc(F)c(F)cc2CCO	22
+Nc1c(O)c(Cl)cc(F)c1N2N=NN(CCCF)C2=O	0
+c12c(Cl)ccc(C)c1CCCO2	20
+Clc1cc(C(=O)OC)c(cc1)OCCCBr	5014
+c1(O)c([N+]([O-])=O)cc(cc1O)C(CO)=O	10470
+Nc1c(O)c(Br)ncc1	0
+Nc1c(O)cc(F)cn1	161
+c1(CN2C(=O)C=C(C)C(Cl)=N2)cc(ccc1)C(=O)OC	10471
+c1ccccc1COc2c(c(O)cc(c2)C(=O)OC)Br	22
+c1cc(ccc1)C=CC(=O)Oc2c(cc([N+]([O-])=O)cc2)[N+](=O)[O-]	5015
+Oc1cccc(O)c1N	0
+c1cc(ccc1)COc2nc(ccc2[N+]([O-])=O)Cl	1424
+c1(CN2N=C(Cl)C=CC2=O)cc(ccc1)C(=O)OC	10472
+c1(OC(C(OCC)=O)CCC=Cc2c(ccc(c2)OC)O)c(cccc1)OC	858
+c1ccccc1CC(C(O)C(O)=O)NC(=O)c2cc(cc(c2C)OC(C)=O)C	93
+c1cc(cc(c1OC)-c2cc([N+]([O-])=O)ccc2)CCN3C=CC=CC3=O	562
+c1(OC)c(OC)c(cc2nc(CO)ccc12)OC	453
+c1cc(c(c(F)c1F)COc2cc(N)c(Cl)cc2OC)OC	0
+c1cc(N)c(Nc2c(C)cc(OC)cc2)cc1	0
+c1(OC)cc(CCN)cc(Br)c1	51
+O=Cc1cc(OC)cc([N+]([O-])=O)c1	39
+c1(-c2cc(F)ccc2)cc(cc(I)c1)O	5
+c12c(c(ncn1)Nc3cc([N+]([O-])=O)cc(OC)c3)scc2	10473
+c1cc(ccc1)CNCCn2nc(-c3cc(cc(F)c3)OC)c4c(N)ncnc24	10474
+c1ccccc1-c2cc(cc(OC)c2)C(OC)=O	11
+c1ccccc1COC(NC2C(OC)CN(c3cc(cc(C(=O)OC)c3)OC)CC2)=O	79
+c1c(OC)c(ccc1CNCC(Nc2cc(Br)cc(c2)OC)=O)OC	402
+COc1cc(cc(OC)c1)C#Cc2cnc(nc2)Nc3ccc(N4CCC(CC4)N5CCN(CC5)C)c(OC)c3	1472
+C1(CN(CC(C)N1C)c2ccc(cc2)C(Nc3cc(OCc4cc(OC)cc(OC)c4)[nH]n3)=O)C	4435
+O(C)c1cc(cc(OC)c1)NC(=O)c2c(F)cccc2F	50
+O(C)c1cc(cc(OC)c1)NCCNCc2ccccc2	1350
+c1(cc(cc(OC)c1)N2CC(CNS(=O)(=O)c3ccc(cc3)NS(=O)(=O)CC)N(Cc4ccccc4)CC2)OC	71
+O(c1cc(cc(OC)c1)OC2C(=O)N3CCCc4c(C23c5ccccc5)cccc4)C	10475
+O(c1cc(cc(OC)c1)OC2C3(N(CC(=O)N(CCC)c4c3cc(Cl)cc4)C2=O)c5ccccc5)C	5016
+c1cc(ccc1)CN2C(CN3C(C(Oc4cc(OC)cc(c4)OC)C3(c5cc(ccc25)Cl)c6ccccc6)=O)=O	5016
+C(Oc1c(OC)cc(C)c(c1OC)C(=O)c2c(OC)ccc(Cl)c2C)(=O)CC	358
+c1c(OC)c(c(cc1CCO)OC)OCc2ccccc2	95
+COc1cc(cc(OC)n1)CCC(OC)=O	159
+O(C)c1cc(cc(OC)n1)C=O	39
+c1(OC)cc(CO)cc([N+]([O-])=O)c1	49
+Oc1c(ccc(C=Cc2n(C)c3C(N(CCC)C(=O)N(CCC)c3n2)=O)c1)O	5
+c12c(c(cn1C)-c3cc4c(ncc(c4)Cl)[nH]3)cc(c(OC)c2)OC	10476
+c1(c(ccc(-c2cc(c(OC)cc2)F)c1)C(=O)O)[N+]([O-])=O	1
+c1(OC)ccc(C(NCCn2nnc(C(O)=O)c2)=O)c(c1OC)OC	1
+c1cc(ccc1C(C#N)NC(=O)c2nnn(c2)CCNC(c3c(c(c(cc3)OC)OC)OC)=O)Br	312
+O=Cc1cc(C)c(cc1OC)OC	2224
+c12cccc(c1CNC2=O)OC	1598
+COc1nc(nc(OC)n1)Oc2cccc(c2C(O)=O)Cl	426
+c1c2n3c(c(C(O)=O)cn3)c(OCC)nc2ccc1	6
+c1(nc(Br)cc(OCC)c1)C	174
+c1(c(OCC2Oc3ccccc3OC2)c4ccccc4cc1)C(O)=O	1
+c1cc(ccc1)NCCCCCCCCOc2cccc3ccccc23	1350
+c12c(cccc1)C(=O)N(C2=O)CCCCCCCCOc3cccc4ccccc34	851
+c1c(CO)c(c(OCCOC)cc1)OC	98
+c1cc(ccc1S(=O)(=O)N2CCOCC2)C=Cc3ccc(c(OCOC)c3)OCOC	722
+Clc1c(ccc(Cl)c1)Oc2c(N)ccc(c2)Cl	0
+c1(Oc2cccnc2)cc(cc(N)c1)F	0
+c1(Oc2cnc(cc2)N)cc(C)cc(NC(c3cc(nn3C)C)=O)c1	161
+CC(C)COc1cc(Br)cc(Sc2c(cc(OCC(=O)OCC)c(C)c2)C)c1	1336
+c1cc(cc([N+]([O-])=O)c1SC)C(Nc2cnc(cc2)-c3ccccc3F)=O	487
+c1(nc(N2CCc3c(C2)cnc(SC)n3)ccc1)C(=O)OC	323
+n1ccc(O)nc1Nc2cccc(-c3csc(n3)C)c2	1334
+c12c(C)csc1cc(Cl)c(F)c2	3148
+c1(Cl)c(c(N)c(c(c1)Cl)C(=O)OC)OC	0
+c1c([N+]([O-])=O)c(C)ccc1C(C)O	74
+c1(-c2cn3nc(ccc3n2)Cl)cc([N+]([O-])=O)c(C)cc1	1749
+c1cc(cc([N+]([O-])=O)c1N)C2=CC(=O)c3ccc(c(c3O2)OC)OC	106
+c1(cc(C#N)cc([N+]([O-])=O)c1O)C(=C)C	5
+c1([N+]([O-])=O)c(cccc1)-c2cc(O)ccc2	5
+O=Cc1cccc2[nH]c(-c3c([N+]([O-])=O)cccc3)nc12	200
+Nc1ccc(Cl)c(Br)c1	0
+c1(N)cc(C#N)ccc1NCC=C	0
+c1(N)cc(C(=O)O)ccc1NCC	0
+c1(N)cc(C(=O)O)ccc1NCCCC	0
+c1(N)cc(C(=O)O)ccc1NCCOC	0
+n1c2n(cc(Br)c1)cc(-c3c(Cl)ccc([N+]([O-])=O)c3)n2	10477
+c1(C)c(N)cc(c([N+]([O-])=O)c1)F	106
+c1ccccc1COc2ccc(cc2Cl)[N+](=O)[O-]	57
+c1ccccc1[Si](c2ccccc2)(OCC3=CC=CN(C3=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)(C)C	10478
+c1c(Oc2cc(cnc2)C(=O)OC)c(Cl)cc([N+]([O-])=O)c1	551
+O=C1N(CCO1)c2ccc([N+]([O-])=O)cc2Cl	10479
+C(O)c1ccc([N+]([O-])=O)cc1Cl	49
+c1(CCO)ccc([N+]([O-])=O)cc1Cl	21
+c1([N+]([O-])=O)cc(Cl)c(cc1)CC(=O)O	4
+c1c2c(-c3ccnc(n3)Nc4cc([N+]([O-])=O)c(cc4OC)F)c[nH]c2ccc1	55
+[N+](c1cc(c(OC)cc1F)Nc2nc(ccn2)-c3cn(C)c4ccccc34)([O-])=O	55
+Cc1c(nc(nc1)Nc2cc([N+]([O-])=O)c(cc2OC)F)-c3c4ccccc4n(C)c3	55
+n1ccc(-c2cnn3ccccc23)nc1Nc4c(OC)cc(c([N+]([O-])=O)c4)F	55
+n1ccc(-c2cnn3c2CCCC3)nc1Nc4c(OC)cc(c([N+]([O-])=O)c4)F	55
+O(c1cc(N)c(cc1CC)F)C(=O)OC	0
+Nc1cc(OCC=C)c(cc1)C#N	0
+c1cc(ccc1F)C2CCc3c(NCCNCCOc4c(ccc(c4)[N+]([O-])=O)C#N)nc(nc23)Cl	132
+c1(C(NCc2cc3c([nH]c(C(=O)OC)c3)nc2)=O)c(C)ccc([N+]([O-])=O)c1	14
+c1nc(ncc1NC(c2cc(ccc2C)[N+]([O-])=O)=O)N	4861
+C(O)c1c(Cl)ccc([N+]([O-])=O)c1	49
+c1cc(ccc1N)Nc2ccc([N+]([O-])=O)cc2C(=O)O	1370
+C(Cc1c(Cl)cc(F)c(N)c1)(OCC)=O	0
+c1(cc([N+]([O-])=O)ccc1C(CCl)O)Br	74
+c1cc(ccc1C#N)CCOc2cc([N+]([O-])=O)ccc2	20
+c1ccc([N+]([O-])=O)cc1OCC2CO2	10480
+c1ccccc1OCCCCCOc2cccc([N+]([O-])=O)c2	8
+c1([N+]([O-])=O)cc(C(=O)O)ccc1NC	1
+c1(N)cc(ccc1NCCCl)C(=O)OC	0
+c1ccccc1C(Oc2c([N+](=O)[O-])cc(cc2)C(=O)C)CC	4214
+Nc1cc-2c(OCc3n-2cc(C(=O)OC)n3)cc1	0
+Nc1cc2OCCNC(c2cc1)=O	0
+Nc1cc2c(cc1)nc(o2)C	0
+c1cc(ccc1)COc2c([N+]([O-])=O)cc3c(CCC4C5C(C)(C(CC5)=O)CCC34)c2	22
+c1([N+]([O-])=O)cc2c(cc1F)ncnc2Nc3cccc(C#C)c3	73
+c1([N+]([O-])=O)cc2c(cc1F)ncnc2Nc3cc(c(cc3)OCc4cccc(F)c4)Cl	73
+c1cc(ccc1Nc2ncnc3cc(c([N+]([O-])=O)cc23)F)Oc4ccccc4	73
+c1(N)cnc(-n2nnnc2)cc1	13
+c1([N+]([O-])=O)ccc(c(CCO)c1)Br	95
+c1ccccc1C=2CCN(CC=2)CCC#Cc3ccc(cn3)[N+]([O-])=O	769
+Nc1ccc(Cl)c(-c2c(cncc2)F)c1	0
+c1ccccc1CN2CCN(c3ccc([N+](=O)[O-])cn3)CC2=O	806
+c1ccccc1COc2cc([N+]([O-])=O)ccc2NC(C)=O	22
+Nc1cc(c(cc1)O)F	0
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(=O)OC)s3	680
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ccc(CCN5CCCC5=O)cn4	680
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4cn(cn4)CCC	680
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4sccn4	680
+Nc1cc(c(cc1)C(=O)N)F	0
+O=Cc1ccc([N+]([O-])=O)cc1F	760
+c1([N+]([O-])=O)ccc(nc1)Oc2c3c(OCC(C3)C)ccc2	136
+c1cc(ccc1)-c2ccc(cn2)[N+](=O)[O-]	140
+c1cc(ccc1)C2CCc3c(ccc(Oc4ncc([N+](=O)[O-])cc4)c3)C2	136
+C1CN(CCN1Cc2ccccc2)c3ncc(cc3)[N+](=O)[O-]	43
+c1ccccc1C2CCc3c(O2)ccc(Oc4ncc([N+](=O)[O-])cc4)c3	136
+c1ccccc1CNc2ccc([N+](=O)[O-])cn2	70
+c1ccccc1Cc2c3ccccc3c(N4CCN(CC4)c5ccc([N+]([O-])=O)cn5)nn2	43
+n1c(OCC(OC)=O)ccc(N)c1	13
+n1c(Oc2c3c(OCC(C3)C)ccc2)ccc(N)c1	13
+Nc1cc2CN(C(c2cc1)=O)C	0
+Nc1cc2CC(N(c2cc1)C(CF)C)=O	0
+c1ccccc1N2C(=O)c3c(N=C2CCl)ccc([N+](=O)[O-])c3	2103
+C(NC)(=S)C1c2cc([N+]([O-])=O)ccc2OC(C)(C1O)COC	10481
+c1cc(ccc1C(C2C(N(c3c2cc(cc3)[N+](=O)[O-])C(C)=O)=O)=O)C	10482
+Nc1cc2c(Cl)nsc2cc1	0
+Nc1cc2c(cc1)[nH]c(c2)C(C)CO	0
+c1c(N)cc(C(O)CO)cc1	0
+c1(ccccc1Cl)-c2n3c4ccc(cc4nc(C)c3c(C)n2)OCc5cccc([N+]([O-])=O)c5	22
+O(Cc1cccc([N+]([O-])=O)c1)c2ccc(C(=O)C)c(c2)O	22
+c1cc(ccc1C(C)C)C(=O)c2cc(OCC#C)ccc2NCc3cc(ccc3)[N+](=O)[O-]	608
+c1c(N)cc(CCNC(C)=O)cc1	0
+c1cc(ccc1C(=O)c2n(C)c(cc2)Cc3cc(ccc3)[N+]([O-])=O)C	1873
+c1cc(ccc1F)NC(=O)c2c(Cl)cccc2[N+](=O)[O-]	67
+c1cc(ccc1C)-c2nc3cccc(c3nc2-c4ccc(cc4)C)[N+](=O)[O-]	3113
+c1(-c2c(Cl)cnn2C)cc(ccc1OC)NC(Nc3cc([N+]([O-])=O)ccc3)=O	124
+c1ccccc1Cc2c(nc3ccc(cc3c2)NC(Nc4cccc([N+](=O)[O-])c4)=O)Oc5c(C(=O)C)cc(cc5)F	124
+c1cc(ccc1COc2cccc([N+](=O)[O-])c2C(C)O)OC	139
+c1cnccc1CNC(N2CCCCC2COc3cccc(c3C#N)[N+](=O)[O-])=O	468
+c1c2c(CCCNCCOc3c(c([N+]([O-])=O)ccc3)N)c[nH]c2ccc1	284
+c1c(N)cc(-c2sc(nc2C(=O)OC)C)cc1	0
+c1c(N)cc(cc1)CCCO	0
+c1cc(ccc1Oc2c(N)cccc2)OCc3cccc([N+](=O)[O-])c3	139
+c1(c([N+]([O-])=O)cccc1O)C#N	5
+c1(ccc(cc1OC)-n2nc(cc2)N)Br	161
+c1cc(ccc1F)-c2cc(CNc3c(cnc4cccnc34)[N+](=O)[O-])on2	2347
+c1c(Cl)nc(c(C)c1)C(=O)OC	174
+c1(nc(Cl)ccc1)COC(C)=O	174
+c1cc(ccc1Cn2c(CCC(=O)O)c(c3cc(F)ccc23)C)-n4cncc4	962
+c1cc(ccc1-c2cc([nH]c2)C(OC)=O)Cl	550
+c1cnccc1CN2c3nc(N)nc(Cl)c3C(=Cc4[nH]cc(C(=O)O)c4)C2=O	2709
+C(=CC(OCC)=O)c1cc(c[nH]1)CCCC	10483
+c1cc(ccc1C)S(=O)(=O)n2cnc(C=O)c2	10484
+C(Nc1cc(ccc1)F)(=O)Cc2cc(Nc3ncnc4cc(OC)cc(OC)c34)n[nH]2	349
+c1(cc(n[nH]1)[N+]([O-])=O)C(Nc2cccc(c2)F)=O	187
+c12c(C(=O)N(C1=O)C(C)(C)Cn3nc(-c4cc(c(C#N)cc4)C)cc3)cccc2	2426
+c1(ccc(Cl)c(c1)CNC(C)=O)-c2nn(-c3ccc4c(CCCO4)c3)cc2	568
+c1ccc(Oc2cc(OC(c3[nH]nnn3)C)ccc2)c(N)c1	0
+c1cc(ccc1)C(=O)N(Cc2c(-c3cc(CC(OCC)=O)ccc3OC)ccc(-c4cnc(OCC)cc4)c2)CC	115
+c1cc(ccc1)CNC(=O)N(CC)Cc2c(ccc(-c3cnc(OCC)cc3)c2)-c4cc(CC(OCC)=O)ccc4OC	384
+c1ccccc1CN2Cc3ccnc(Nc4cc(-c5cc6ccccc6cn5)c(C)cc4)c3CC2	1759
+c1(c(-c2ccc(s2)Cl)nn(c1)C(C)CC)-c3cc(Cl)ncc3	174
+c1(c(nc(c(-c2ccncn2)c1)-c3occc3)N)C#Cc4cccc(c4)F	1240
+c1ccccc1C#Cc2c(nc(-c3ccco3)c(-c4ncncc4)c2)N	1240
+c1cc(ccc1C#N)OCCCCOc2ccc(c(c2Br)O)C(C)=O	8
+c1(c(N)cc(c(c1Cl)F)Br)F	0
+c1(c(Br)cccc1N2N=C(C(=O)O)C(=O)C(=C2)OC)F	4
+c1(CO)c(Br)ccnc1	269
+c1cc(ccc1CCCn2ccnc2)OCc3coc(-c4cc(C)c(s4)Br)n3	547
+c1(c(CN)c(O)nc(CC)c1)C	388
+c1(c(CN)c(O)nc(CCC)c1)C	388
+c1(c(CN)c(OC)nc(CO)c1)C	388
+c12c(C(=O)N(C1=O)Cc3cc(C)c(C#N)c(n3)OC)cccc2	2181
+c1(c(C#N)c(OC)nc(CO)c1)C	194
+S(C)c1c(c(N)ccc1)C#N	0
+c1cc(ccc1CN2C(=O)C(=C(C=N2)C)C#N)OC	10485
+c12ccc(Nc3nc(Cl)cc(c3C(=O)OC)C#N)cc1n[nH]c2	201
+Cc1cc(ccc1)Nc2nc(Cl)cc(c2C(=O)OC)C#N	201
+S(c1cc(ccc1)Nc2nc(Cl)cc(c2C(=O)OC)C#N)C	201
+c1cc(ccc1)COC(N2CC(C(CC)C2)Nc3c(C(N)=O)cnn4cc(nc34)Br)=O	10486
+c1(nnc(o1)C)-c2cc(Br)cnc2N	2145
+c1ccccc1CC(NC(c2c(cccc2N)[N+](=O)[O-])=O)C(OC)=O	259
+c1cc(ccc1F)CNC(c2c(O)c(c(nc2)C)Br)=O	56
+c1c(C)c(C(Nc2ncc(Br)nc2)=O)cnc1	10487
+c1ccc(NC(c2occc2C)=O)cc1C#C	768
+c1ccccc1CNC(c2c(C)cco2)=O	1619
+c1(C(=O)C)c(c2n(cccc2)n1)-c3cc(F)ncc3	955
+C(CC)CCCCCCc1c(c(ccc1)F)F	414
+c1(c(CO)cnc(Cl)c1C)NC	351
+c1(c(N)c(Cl)ncc1C(OCC)=O)NC	13
+Cc1c(c(c(cc1)C)Oc2cnnc(O)c2)C	3149
+c1(c(c(N)ccc1C)C)Cl	0
+c1(c(C)cc(C)cc1OC)-c2n3nc(CC)c(N)c3c(OC)cc2	209
+C(O)c1c(Cl)cc(c([N+]([O-])=O)c1)C	49
+c12n3c(C(NC3=O)Cc4c(C)cc(OC)cc4)nc1cccc2	10488
+C(C(C)[N+]([O-])=O)c1cc(ccc1C)F	3150
+c1cc(ccc1)CNC(=O)c2cnc(Cl)cc2-c3c(cccc3)C	4056
+c1(c(C)cnc(c1C)CO)Cl	629
+c1(c(C)cnc(C(=O)O)c1C)Cl	6
+c1cc(ccc1OCc2ccccc2)N(C)C(c3c(C)n(cc3)C)=O	3758
+N#Cc1c(c2c(nc1)c(Cl)cc(c2)NCc3ncn(C)c3C)Nc4cc(Cl)c(cc4)F	10489
+c1(c(C2=NC(C(N(C)c3ccc(N)cc23)=O)C)cccc1)F	0
+Nc1ncc(c(C)c1)C=CC(N(Cc2n(c3c(cccc3)c2)C)C)=O	404
+c1cc(ccc1)COC(Nc2ccc3c(c[nH]c3c2)C(c4c(cccc4)F)C[N+]([O-])=O)=O	10490
+C(Cc1c(CO)cccc1)CCCCCCC	41
+C(c1c([nH]cc1C)C)C(=O)O	2603
+c1cc(ccc1)COC(=O)Nc2c3c(c(CC(OCC)=O)c(c2)[N+]([O-])=O)cccc3	90
+c1ccccc1COc2ccccc2CC	139
+Nc1c(F)c(ccc1O)CCCl	10491
+c1(O)c(CCO)cc(F)c(F)c1	5
+CC(C)n1ncc2c(cc(-c3ccncc3)nc12)C(NCc4c(O)nc(CC)cc4C)=O	14
+c1cc(ccc1)C(c2ccccc2)C3C(CCN(Cc4c(OC)c(cc(Br)c4)Br)C3)=O	889
+c1cc(ccc1F)C(c2ccc(cc2)F)C3C(CCN(Cc4c(OC)c(cc(Br)c4)Br)C3)=O	889
+c1(c(C=O)cnc(Cl)c1C)NC	200
+c1(c(Cl)nc(Br)cc1[N+](=O)[O-])NC	174
+C(=O)(c1ccccc1NC(c2cc(c(cc2)OC)Cl)=O)O	1
+c1(cc2c(NC(=O)CC(c3ccnc(-c4onc(c4)C)c3)=N2)cc1Cl)N(C)CCOC	1222
+C(OC(=O)C)C1C(C(OC(=O)C)C(n2c(Br)nc3cc(c(Cl)cc23)Cl)C1)O	59
+Nc1cccc(Cl)c1I	0
+c1ccccc1CC(Nc2c(c(O)ncc2)-c3nc4c(C)cc(cc4[nH]3)Br)CO	105
+c1c(c(Cl)cnc1Nc2n(nc(C)c2)CC)Nc3c(C(NC)=O)cccc3F	346
+c1(c(Cl)nc(Br)cc1N)NC	0
+c1cc(ccc1CCO)Nc2nc(C)cc(C)c2[N+]([O-])=O	201
+c1(c(Cl)nc(SC)nc1)C=O	1195
+c1(c(Cl)ncc(CO)c1)C	382
+c1cc(ccc1OC)COc2cc(c(nc2)Cl)C	1900
+c1(c(Cl)ncc(O)c1)C	2156
+c1(c(Cl)ncc(C(=O)O)c1)C	1
+c1(c(Cl)ncc(N)c1)C	13
+c1(cc(CN2Cc3c(Cl)nccc3C2=O)cnc1-n4nccc4)C	3047
+c1cc(ccc1-c2c(Cl)nccn2)Cl	696
+c1cc(ccc1Oc2nccnc2Cl)C(=O)c3[nH]c4c(n3)cccc4	842
+O=Cc1c(F)c(c(O)cc1)F	5
+c1cc(ccc1S(=O)(=O)OC(C)COc2c(F)c(F)ccc2[N+]([O-])=O)C	36
+c1(c(F)c(c(c(OC)c1)F)N2Cc3cnc(CN)cc3C4(CC4)C2=O)OC	421
+c1c(c(c(cc1)F)F)C(c2c(cc(cc2)OC)OC)=O	705
+c1cc(ccc1OC)C(=O)c2cccc(F)c2F	705
+Nc1cnccc1Nc2cccc(c2F)F	13
+c1cc(ccc1Sc2c(c(ncn2)CC)F)Cl	1124
+CC(=O)Nc1cc(ccc1)Nc2c(cc(cc2)C(=O)O)[N+]([O-])=O	275
+c1ccccc1Nc2c([N+]([O-])=O)cc(C(=O)O)cc2	275
+c1cc(ccc1Br)NC(=O)c2ccc(F)c(c2)[N+](=O)[O-]	67
+c1cc(ccc1S(=O)(=O)Nc2cc([N+]([O-])=O)c(cc2)F)NC(C)=O	69
+c1ccccc1C(Nc2ccc(F)c([N+]([O-])=O)c2)=O	50
+O=S(=O)(c1ccccc1)Nc2ccc(F)c(c2)[N+](=O)[O-]	69
+c1cc(ccc1Oc2ccccc2)NC(=O)Nc3ccc(c([N+]([O-])=O)c3)F	124
+c1(c(F)ccc([N+]([O-])=O)c1)-c2cc(CO)ccc2	49
+c1(c(F)ccc([N+]([O-])=O)c1)C(CC)(N)CCO	21
+n1ccn(-c2ccc(cc2[N+]([O-])=O)C3=C(C(NC3)=O)C)c1C	431
+c1ccccc1CN(Cc2ccccc2)C(C(=O)O)C(C3CC3)Oc4c([N+](=O)[O-])cc(cc4)F	57
+c1ccccc1Sc2ccc(F)cc2[N+](=O)[O-]	815
+c1cc(ccc1N(C(C)C)C(=O)CNc2c([N+](=O)[O-])cc(F)cc2)OC	2002
+c1ccccc1COC(NC2C(CN(c3ccc(F)cc3[N+]([O-])=O)CC2)F)=O	34
+c1cc2c(cccc2)nc1COc3cc([N+]([O-])=O)c(F)cc3	412
+c1cc(ccc1F)-n2c(C(N(OC)C)=O)cnc2SCc3c(F)c(ccc3F)F	10492
+c1cc(c(cc1)F)C(c2c(cccc2)F)Oc3c(C(=O)OC)cc(NC(Nc4ccc(c(OC)c4)OC)=O)cc3	124
+c1cnn(n1)-c2c(cccc2F)C(=O)O	10493
+c1(c(F)cccc1Cl)-c2nc3cc(ccc3o2)C(C)C(=O)O	4
+c1(Cl)c(F)nc(c(Cl)c1CO)F	41
+c1(c(ncc(c1)C(N=S(CCCCC(OC)=O)(C)=O)=O)N)C#Cc2cccc(NC(c3occc3C)=O)c2	2281
+c1cc(ccc1C(=O)Nc2c(ccc(c2N)Br)OC)C(C)C	67
+c1c(c(C)c(NC(c2c(ccc(c2)-c3cc(ccc3)F)F)=O)c(F)c1)O	67
+CCOC(C1=CN(C2CC2F)c3c(C1=O)c(cc(F)c3C)[N+](=O)[O-])=O	480
+c1cc(ccc1-c2c(C(NC)=O)c3c(cc(N(C)S(=O)(=O)C)c(c3)C4CC(N(C4)C)C(Nc5c(F)cccc5O)=O)o2)F	33
+c1cc(ccc1COc2cccc([N+](=O)[O-])c2N)OC	139
+c1ccccc1COc2cccc([N+](=O)[O-])c2N	22
+Clc1c([N+]([O-])=O)cc(c(NC(c2ccc(c(Cl)c2)Cl)=O)c1)O	50
+c1(F)cccc(F)c1C(=O)NC(=O)Nc2c(F)c(c(F)c(Br)c2)Cl	2462
+c1ccccc1COC(=O)Nc2ccc([N+](=O)[O-])cc2O	90
+c1cc(ccc1N2CCOC2=O)-c3ccc(n3-c4c(C)cc(C(N)=O)cc4)CCC(OCC)=O	2387
+c1ccccc1C#Cc2ccc(c(c2)C)N	129
+c1(c(N)ccc(Oc2ccc(cc2C#N)F)c1)C	46
+n1c2ccc(nc2ccc1)-c3c(Cl)ccc([N+]([O-])=O)c3	10494
+c1c2c(ncc(c2Nc3cc(c(Cl)cc3Cl)OC)C#N)cc(I)c1OCCOC	10495
+c1cc(ccc1F)N2CCN(CC2)CCC(Nc3ccc(F)cc3[N+](=O)[O-])=O	3941
+c1ccccc1S(=O)(=O)NC(c2ccc(NC(C)=O)c([N+](=O)[O-])c2)=O	258
+Nc1ccc(cc1[N+]([O-])=O)OCSC	106
+c1(c(NC2=C(C(CCC2)=O)C)cc(N)cc1)Cl	0
+c1cc(ccc1-n2c(C(=O)OCC)c(O)c(c2C(=O)OCC)OCc3ccccc3)OC	483
+c1c(Cl)cc([N+](=O)[O-])c(O)c1C(c2cc(Cl)cc([N+](=O)[O-])c2O)O	488
+OP(O)(=O)CC(C)=CCc1c(c2C(OCc2c(c1OC)C)=O)O	1560
+c1(ccccc1Cl)Oc2cc(c(C(C)=O)cc2)Cl	46
+c1(Oc2c(O)cccc2)c(ccc(F)c1)[N+]([O-])=O	46
+c1(C(=O)O)c(O)nc2c(ccnc2)c1	1
+C(Br)CCCCCc1cccc(O)c1OC	5
+c1(C(=O)O)ccc(OCCCCCCc2c(c(OC)ccc2)OC)cc1O	1
+c1cc(ccc1OCC(=O)N(Cc2cccc(OC)c2OC)CCCC)CC(OCC)C(OCC)=O	10
+C(CCc1c(OC)c2ccccc2c(c1)OC)CO	237
+c1c2ncnc(Sc3cccc(c3)N)c2cc(OC)c1OC	1124
+c1(c2cc(c(OC)cc2ncn1)OC)N3CCc4c(Br)cccc34	860
+CCCCCCOc1ccc(C=O)cc1OCCCCCC	2224
+c1ccccc1NC(=O)c2cc([N+](=O)[O-])c([N+]([O-])=O)cc2	50
+COc1c(cc(cc1)C(=O)c2ccc(c(c2)OCC)OC)[N+](=O)[O-]	335
+Nc1c(OC)cc(C(=O)OC)c(F)c1	0
+Nc1cc(c(C)cc1OC)O	0
+c1(c([N+]([O-])=O)cc(CN)cc1F)Cl	107
+C(N1C(c2c(C(=C1)C(=O)OC)cc(N)c(c2)OC)=O)C	0
+Nc1c(OC)cc2c(c(Nc3cc(Cl)c(F)cc3)c(C#N)cn2)c1	0
+c1c(c(cc(c1)Nc2c3cc(N)c(OC)cc3ncn2)Cl)OCc4ncccc4	0
+Nc1c(OC)cc2c(c1)c(ncn2)Nc3cccc(C#C)c3	0
+c1cc(N)c(CNc2ncnc3cc(NCC)c([N+]([O-])=O)cc23)cc1	40
+c1(c([N+]([O-])=O)cc2c(c1)ncnc2Nc3cccc(C#C)c3)OC	73
+c1(c([N+]([O-])=O)cc2c(c1)ncnc2Nc3cc(c(cc3)OCc4ncccc4)Cl)OC	73
+C1CCC(C1)c2ccccc2[N+](=O)[O-]	191
+c1cc(ccc1Oc2cc(ccc2)OCC=C)CNc3cccc([N+]([O-])=O)c3C=C	208
+c1(c(Cl)nc(cc1C)Cl)[N+]([O-])=O	174
+C(c1c(F)c(cc([N+]([O-])=O)c1)N2CCCC2=O)(=O)OC	2795
+c1(c(N)c(cc2nsnc12)C(=O)O)Cl	1
+CC(O)c1c(O)c(ccc1)Sc2c(F)cccc2	74
+C1CC(CCN1Cc2ccccc2)Nc3c([N+](=O)[O-])cccc3C	205
+O=Cc1c(c(c(C)cc1)I)F	39
+Clc1c(Cl)c(c(c(Cl)c1Cl)N)N	0
+C(O)c1c(F)ccc(I)c1C	98
+c1(c(C(=O)O)c(N)cc(Br)c1Cl)F	1
+c1(c(c(OC)c2CC(Cc2c1OC)(CCCCCCCCO)C(OCC)=O)OC)OC	21
+c1(c(c(OC)c2CC(Cc2c1OC)(CCCCCCCC(O)=O)C(OCC)=O)OC)OC	3
+C1c2c(CC1(C(O)=O)CCCCCCCCO)c(OC)c(OC)c(OC)c2OC	3
+c1(c(C)c(c(cc1)C(C)=O)C)O	5
+c1(OC)ccc(C(NCCn2cc(C(=O)OC)nn2)=O)c(c1OC)OC	14
+c1(c(c(F)ccc1Nc2n(-c3ncccc3)nc(C)c2)F)C(=O)OC	781
+c1(c(c(c(OC)c(CCN)c1C)C)C)OC	157
+c1cc(ccc1C=C(C)COc2c(c(C)c(NC=O)c(C)c2)C)C	1282
+c1(F)c(C(=O)O)c(cc(c1)Br)O	1
+c12c(cc(c(Br)c1F)F)[nH]cc2	1452
+c1ccccc1CSc2cccc(c2C)-c3cccnc3	607
+c1c(c(c(cc1)OC)F)CO	49
+c1cc(c(c(N)c1OC)[N+]([O-])=O)OC	0
+c12ccccc1c(N)c(N)c(Cl)n2	13
+c1ccccc1COc2c(C#N)c(ncc2)Br	2467
+c12OCC(C)N3c1c(C(C(=C3)C(=O)N)=O)c(N)c(c2F)F	0
+Nc1c(c2[nH]cnc2c(C)c1)C	0
+Nc1ccc2c(C(OC(OCC)=N2)=O)c1CC	0
+NCc1c(nc(C)c(C(C)=C)c1)C	18
+c1cc(ccc1)CN2CCN(C(Cc3ccc(c(c3)Cl)Cl)=O)C4C(N5CCCC5)CCCC24	58
+c1cc(ccc1)C(Cc2ccc(Cl)c(Cl)c2)=O	832
+c1c(CO)c(Cl)cc(Cl)c1OC	49
+Nc1c(cc(Cl)c(I)c1)OC	0
+c1(c(cc(c(C(=O)N2Cc3cccn3Cc4c2cccc4)c1)OC)-c5ccccc5OCC)Cl	610
+C(CCC#Cc1cc(c(-n2nc(C)nc2)cc1)OC)C(c3cc(c(cc3)Cl)Cl)O	3151
+c1cc(ccc1)Nc2c(c(c(cc2C(=O)OC)[N+](=O)[O-])N)Cl	275
+c1ccc2c(c1)C(=O)N(C2=O)C3CC(CC3)c4c(F)cc(Br)c(F)c4	1579
+c1(c(-c2ccncn2)ccc(N)n1)-c3occc3	1220
+c1(c(cc(cc1)-c2scc(CC)n2)CCC)OCCCOc3ccc4n(CC(O)=O)ccc4c3	4
+c1(c(cc(C(=O)O)cc1[N+]([O-])=O)OC)NC	1
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)N4Cc5ncc(Br)cc5C4	10496
+n1cc(c(CCC(OC)=O)cc1OC)F	159
+COc1nnc(Cl)cc1C(=O)C	716
+Nc1cnn(c1)CCN2c3cc(c(OC)cc3CC2)OC	209
+n1c2c(cc([N+]([O-])=O)c(O)c2)ccc1	5
+c1(c(cc2c(c1)nc(Br)n2C3CC(CO)C(C3O)O)Cl)Cl	59
+c1(c(ccc(-c2c(cc(c(CC)c2I)I)I)c1)C(=O)O)[N+]([O-])=O	165
+c1c2ccc(-c3c(Cl)cc(C(=O)O)cc3)nc2ccc1O	5
+c1(C(=O)C)ccc(OCCCOc2c(c(ccc2C(C)=O)OCC(=O)O)CCC)c(c1O)CCC	3
+O=C1c2c(C(=O)N1CC3C(C)CCCN3C(c4cc(C)ccc4-c5cnn(c5)C)=O)cccc2	30
+c1ccccc1COc2ccc(C)c(C(=O)OC)c2F	22
+c1(CO)c(ccc(Cl)c1Cl)[N+]([O-])=O	41
+Nc1c(Cl)ccc(c1Cl)C(=O)O	106
+c1cc(ccc1)Oc2ccc(CNC(c3ccc(Cl)nc3N)=O)s2	56
+c1cc(ccc1CNC(c2ccc(Cl)nc2N)=O)OCc3ccccc3	56
+c1(c(ccc(c1)-c2cc(ccc2)F)F)C(Nc3cc(ccc3)OC)=O	67
+c1(c(ccc(C(c2ccc(c(N)c2)OC)=CC)c1)OC)OCC	0
+c1(c(c(C)ccc1CO)I)F	49
+Nc1c([N+]([O-])=O)c(c(cc1)Br)C	0
+c1(cc(OC)n(-c2c(cccc2)F)n1)C(=O)NC(c3ccccc3C)CC(=O)OCC	1938
+c1(c(cccc1)-n2nc(C(=O)O)cc2OC)F	1
+C(NC)c1ccccc1I	162
+C(CO)Cc1c(CC#N)cccc1	44
+c1c(c(cc(C(=O)c2ccccc2Cl)c1)CC)OC	222
+c1ccccc1-c2cc(C(c3c(Cl)cccc3)=O)ccc2O	222
+o1c(nc2cc(c(cc12)-c3cnc(cc3)NC(c4c(cccc4)Cl)=O)C)C	330
+c1cc(ccc1)-c2nc(C(OCC)=O)c(O)c3c(nsc23)-c4c(cccc4)F	10497
+c1(cccc([N+]([O-])=O)c1)C(=O)c2ccc(OC)c(c2)OC	222
+c1cc(ccc1C(c2cc(OC)c(OC)cc2)=O)C(OC)=O	358
+c1cc(ccc1F)CCN2CCC(CC2)C(O)c3cccc(OC)c3OC	1512
+C(c1cnccc1)NC(c2c(Cl)c(Br)ccc2)=O	14
+c1c(CO)c(c(cc1)O)Cl	49
+O=Cc1cccc(C#N)c1Cl	2196
+COc1cccc(C#N)c1N	0
+c1cc(ccc1C#N)Oc2cccc(c2C(C)CC)OC	46
+Nc1c(c(ccc1)OC(C)C(OC)=O)C	0
+Clc1cc(cc(Cl)c1N=Cc2cnccc2N=[N+]=[N-])F	3026
+c1c(cc(c(Nc2c(cnc(Cl)c2F)C(=O)O)c1)F)Br	179
+c1(-c2c(cccc2)F)c(cc3NC(Nc3n1)=O)-c4c(cncc4)F	3100
+c12cc(c(-c3occc3)nc1[nH]c(-c4cc(F)ccc4)c2)-c5ccncn5	3152
+c1c(Cl)cc(cc1Sc2nc(c(cc2)[N+]([O-])=O)C#N)Cl	5018
+c1(C(=O)O)cnc(c(c1)C#Cc2cccc(NC(c3occc3C)=O)c2)N	1
+c1(cc(C(=O)OC)cnc1N)OCc2c(F)cccc2	161
+c1(c(ncc(c1)C(N=S(CCCCC(=O)O)(C)=O)=O)N)C#Cc2cccc(NC(c3occc3C)=O)c2	4
+C(c1ncccc1C)NCc2ncccc2C	294
+CCc1c(cccn1)CO	351
+c1(c(nccc1-c2cc(Cl)c(cc2)C(=O)O)CC)C#Cc3cnc(cc3)N	1
+C1Cc2cc(OC)ccc2Sc3cccc(c13)C(=O)O	165
+c1ccc(c2CCCC(O)c12)C#N	74
+c1c(F)c(c(cc1OCC)F)Cn2nc(c3c2CCC3)C#N	309
+c1(c2CCc3c(-c2[nH]n1)cccc3)-c4ccnc(c4)Cl	174
+c1(c2OC(C)C(=O)Nc2cc(c1)C=O)O	5
+c1cc(ccc1)Nc2nc(N(c3c(Cl)ccc4OCOc34)C)ccn2	55
+c1(c2[nH]c(C(=O)NC3Cc4ccccc4C3CSCCC(=O)O)cc2sc1Cl)Cl	4
+c1(c2c(CCCO2)c(C)cc1)F	165
+c1cc(ccc1C#N)Cn2c3c(cccc3c(C(=O)OC)n2)F	823
+c1cccc(c1O)-c2nc(c3c(c(nn3C)CCC)n2)O	1691
+c1(c2c(cc(Oc3ccnc(n3)N)cc2)ccc1)C(=O)O	511
+c1(c2c(cc(Oc3nc(N)nc(Cl)c3)cc2)ccc1)C(=O)O	185
+c1cc(-c2c(C)ccc3c2ccnc3NCc4cc(OC)c(cc4)OC)cc5c1nc(NC)nc5	70
+c1ccccc1COc2c(cc(Br)c3cccnc23)Cl	483
+C1C(CCC1Nc2nc3cc(ccc3c(C)c2)OC)NCc4cn(C)c5cccnc45	2590
+C(c1cccs1)CNC(c2c3c(n(CCOC)c2)cccc3Cl)=O	56
+c1cc(ccc1Cn2c(CCCC)nc3c2nccc3C)-n4cc(c(Cl)c4C#N)Cl	1484
+c1(cc2c(cc1OC)c(C)c(N)cn2)OC	13
+c1(C=CCOC)c2cc(Br)ccn2cn1	10498
+c1ccccc1S(=O)(=O)n2c3ncc(cc3c(C(=O)OC)c2C)Br	276
+O=S(=O)(c1ccccc1)n2c3c(c(C4=CCN(C)CC4)c2)cc(C#N)cc3	367
+c1(c2cc(C#N)ccc2[nH]c1)C=3CCN(C)CC=3	274
+c1(C=O)nc(c2cc(ccc2n1)OC)NCc3ccc4OCOc4c3	2287
+C1CN(CCC1Nc2c3c(c(nn2)COC)ccc(OC)c3)Cc4ccccc4	232
+c1cc(ccc1)Oc2c(CNc3ccc4c(nnc(Cl)c4c3)O)c(ccc2)Cl	250
+c1(c(NCc2cc(on2)-c3cccnc3)c4ccccc4nc1)N	13
+c1cc(ccc1C(=O)c2c(C)c(c3ccccn23)OC)[N+](=O)[O-]	4351
+O=S(=O)(c1ccc(cc1)-n2c3c(cccn3)c(C(OC)=O)c2)C	10499
+c1(cccc2OCCc12)C(=O)O	10500
+O=Cc1c2ncccn2nc1	10501
+c1c(cccc1-n2c(ncc2)C)Nc3ccn4c(c(cn4)C=O)n3	3042
+c1(c2nc(C)c(C(=O)O)n2cc(C)c1)OCc3c(c(ccc3F)OC)F	6
+c12c(c(N)c(C(=O)c3c(C)cc(F)cc3)cc1)nccc2	13
+c1(c2c(c(c(nn2)C(=O)N)Nc3cc(F)cnc3)cc(SCC)c1)F	10502
+c1(c[nH]c2c1cc([N+]([O-])=O)cc2)Cc3c(cc(C(=O)O)cc3)OC	1
+c1cc(ccc1CNc2ccc(-c3c(N)nc(N)nc3CC)cc2C)S(=O)(=O)C	208
+c1cnccc1CCNCc2cc(ccc2)-c3nc(Cl)ncc3	42
+c1(C(=O)O)cc(-c2ccnn2C)c(C)s1	1
+c1(C(=O)O)cc(-c2ccnn2C)c(Cl)s1	1
+c1cc(ccc1S(=O)(=O)n2cc(I)c3cc(-c4cc(C=O)ccc4)cnc23)C	276
+c1(C(=O)O)cc(-c2n(C)ncc2F)c(Cl)s1	1
+c1(nc2ccccc2c(c1)[N+]([O-])=O)Br	2298
+c1ccccc1COc2c(O)ncc(Br)c2	483
+c1(C#N)cc(C#N)c(O)cc1	5
+c1c(Br)c(ccc1)NC(Nc2c(cc(C#N)cc2)O)=S	773
+C(c1cc(C#N)ccc1O)CC	732
+Nc1c(cc(C#N)cc1)OC	0
+c1(cc(C(=O)N2Cc3cccn3Cc4c2cccc4)c(cc1-c5ccccc5F)OC)Cl	610
+c1(cc(ccc1)C(=O)N)Br	10503
+c1ccccc1COc2c(ccc(C(O)=O)c2)I	22
+c1(cc(-c2cc(F)ccc2)cc(F)c1C)C(=O)O	1
+c1cc(ccc1C(O)=O)-c2ccc(N3CCCC3=O)cc2C(OC)=O	11
+c1(cc(CO)c(cc1Br)Cl)F	98
+c1(F)c(cc(c(C=O)c1)[N+]([O-])=O)Br	1766
+c1c(CN=[N+]=[N-])cc(CF)cc1CO	98
+c1(cc(CO)cc2c1OCO2)OC	98
+c1cc(ccc1-c2cccc(C(CCCCCC)O)c2)C=O	11
+c1(cc(ccc1Br)C=2CCCN=2)F	1529
+c1cc(ccc1)CN2CCC(OC(=O)c3cc(c(cc3)[N+]([O-])=O)OC)C2	279
+c1(cc(C(CCN)O)ccc1)Br	51
+c1(cc(ccc1)C(=O)c2c(Cl)nc(Cl)nc2)Br	10504
+c1(CO)ccc(C)cc1OC(CC=C)C	98
+c1cnccc1-c2cc(CC#N)cc(CO)c2	2036
+c1(c2ccccc2ncc1[N+]([O-])=O)NCc3cc(on3)-c4cccnc4	105
+c1cc(ccc1)OC(c2nccc3C(=O)N(Cc4cnc(c(c4)C)-n5nccc5)Cc23)=O	4710
+c1(-c2ncccc2)[nH]cc(C=O)c1	200
+c1cc(ccc1)[Si](c2ccccc2)(OCc3cccc(C=O)c3)C(C)(C)C	328
+Nc1cc(c(CO)cc1Cl)OC	217
+c1cc(ccc1N2C(c3c(cccc3)N(CC(Nc4cc(c(cc4OC)OC)Cl)=O)C2=O)=O)CC(=O)OCC	3318
+Clc1cc(C(=O)C)c(cc1Br)O	5
+c1(nc(ccc1)Nc2cc(Oc3ccc4c(OCCO4)c3)ncn2)N	185
+c1(cc(c(cc1)C(c2ccc(cc2F)C)=C(c3nnnn3C)C=CC=O)F)C	5019
+c1cc(ccc1CN2C(=O)N(c3nn(Cc4ccc(cc4)OC)c(C(=O)NCc5ccc(F)c(F)c5)c3)C=N2)F	81
+c1ccccc1CN(Cc2ccccc2)C(C(NCc3cc(c(cc3)F)F)=O)COC(F)F	9
+c1(Cl)cc(C(=O)OC)c(nc1Cl)-c2cc(F)ccc2	174
+c1ccccc1Oc2cc(Br)ccc2	46
+c1c2c(ccc1)C(=O)N(C2=O)C(C=3N=C4N(C(=O)C=3c5cc(F)ccc5)C(C)=CC=C4)C	10505
+O=CC=1N=C2N(C(=CC=C2)C)C(=O)C=1c3cc(F)ccc3	10506
+c1cc(ccc1C(=N)Nc2cc(C)c(C)cc2)S(=O)(=O)C	3121
+c1cn[nH]c1C(Nc2cccc(c2)F)=O	10507
+c1(N2CCOCC2C)nc(Cl)nc(CO)c1	629
+c1(c(ccc(N)c1)OC)C(=O)C	106
+c1(cc(N)ccc1[N+]([O-])=O)OC	106
+c1c(cc2c(C(=O)C(=O)N2)c1)Br	1418
+c1cc(ccc1C)S(=O)(=O)Oc2c3c(CCN(C(=O)Nc4cc(CC)ccc4)C3)nc(-c5ccc6c(OCO6)c5)n2	4603
+c1(cc(Nc2c3cc(N)ccc3ncc2C#N)ccc1)Br	0
+c1(cc(c(N)c(c1)F)OC)C(=O)O	0
+c1c(cc(C(=O)OC)c(Nc2c(cc(c(F)c2)-c3cc(C)c(Cl)cc3)OC)c1)Br	1215
+c1(cc(OC)n(-c2c(cccc2)F)n1)C(=O)NC(CC(O)=O)c3ccccc3C	3
+c1(C(=O)O)cc(OCCCBr)no1	1
+c1(cc(Oc2c(F)cc(C(=O)O)cc2)cc(OC(C)CO)c1)C(=O)Nc3ccn(C)n3	6
+c1ccccc1CCNC(CSc2nc(nc(C)c2)N)=O	271
+c1ccccc1COc2c([N+]([O-])=O)cc(cc2)C=O	139
+c1(c([N+](=O)[O-])cc(cc1)C(O)c2cc(OCC)c(cc2)OC)OC	257
+c1c([N+]([O-])=O)c(ccc1C=CC(OC)=O)OC	530
+Nc1c(c(C(=O)OC)cc([N+]([O-])=O)c1)F	0
+c1ccccc1COc2c(I)ccc([N+](=O)[O-])c2	22
+c1ccccc1C=CC(=O)c2c(O)cc(c(Br)c2)F	307
+c1(cc(c(CNC(c2cn(nc2OCC)CCOc3c(cccc3OCC)CC(=O)O)=O)cc1)Cl)Cl	4
+Fc1cc(cc(F)c1)C(O)c2ccc(F)c(C#N)c2	257
+Nc1cc(O)c(cc1[N+]([O-])=O)C(=O)O	106
+c1cc(ccc1OC)CN2N=C(C=C(Br)C2=O)C(=O)OC	10508
+c1(F)cc(c(cc1C)C(NCc2c(cc(cc2)Br)F)=O)OC	14
+c1(cc(C)c(c(c1)CNc2c(c(ccc2F)O)F)C)-c3cc(F)ccc3	162
+c1cc(ccc1F)COC(N(Cc2c(-c3cc(ccc3OC)CC(OC)=O)cc(cc2)OC)CC)=O	66
+c1(cc(c(cc1)Cl)-c2n(-c3nc(-n4cc(C)nc4-c5c(Cl)ccc(Cl)c5)c(N)cc3)cc(C)n2)Cl	13
+c1c(Cl)c(Cc2cc3c(OCCO3)cc2)cc(c1)I	394
+c1ccccc1COc2c(OC)ccc(C=O)c2	139
+O=S(=O)(Oc1c(OC)ccc(C=O)c1)c2ccc(cc2)C	1163
+c1cc(ccc1)C(=O)Oc2cc(ccc2OC)C=O	1039
+c1ccccc1COc2c(OC)ccc(C=O)c2	22
+c1(C=O)cc(c(cc1)OC)OCc2nc(-c3occc3)oc2C	547
+COc1cc(cc(OC)c1)C(C=Cc2ccc(c(c2)O)OCCCC)=O	307
+O(c1c(cc(Cl)cc1)C(CC)=O)c2c3cc(c(OC)cc3ncc2)OC	155
+c1(cc(c(cc1Br)CC(=O)O)C)F	4
+c1c(c(cc(F)c1Br)O)N	0
+c1(c(cc(c(c1)F)Br)F)C2CCC(C2)O	100
+c1c(c(cc(F)c1N)C)Br	0
+c1(cc(Br)co1)C(=O)OC	10509
+Nc1c2c(CO)cc(C)nc2sc1C(=O)N	217
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3ccc(cc3)-c4cc(cc(Br)c4)C#N	11
+c1(cc(cc(Br)c1)C#N)Br	480
+c1c(Br)c(c(cc1CC(C(=O)O)O)Br)Oc2cc(c(c(c2)C=Cc3ccccc3)O)C(C)C	4
+Nc1cc(cc(C(=O)OC)c1C)Br	0
+c1(C)cccc(C)c1-c2cnc(c(-c3cc(C)cc(c3)C)n2)-c4cc(C)cc(C)c4	696
+c1c(C)cc(cc1CN2c3cc(ccc3OCC2)C=O)C	507
+c1(C)cc(cc(C)c1-c2cccc(CO)c2C)OCOC	98
+c1c(C)c(c(cc1C)C)-c2cccc3c(Cl)cc(nc23)C	1009
+c1(cc(cc(C)c1Br)OC(c2ccc(cc2)C(=O)OC)C(C)C)C	20
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(C(C)C)c3ccc(cc3)C(OC)=O	11
+Cc1cc(cc(C)c1C(C)=O)Oc2ccc3OCOc3c2	415
+c1cc(ccc1)Oc2cc(C)c(c(c2)C)C(C)=O	415
+c1cc(ccc1Oc2cc(C)c(c(C)c2)C(C)=O)F	415
+c1(cc(cc(C)c1N=C2N(C(N(C(c3cc(O)c(cc3)O)=C2)C)=O)C)C)C	5
+c1(cc(cc(C)c1N=C2N(C)C(N(C)C(=C2)c3ccc(c(c3)OC)OCC(=O)O)=O)C)C	3
+c1ccccc1-c2nc(c(cn2)CNc3cc(C)c(c(c3)C)NC(OCCC)=O)C	10510
+c1c(C)c(c(cc1[N+](=O)[O-])C)N	106
+Cc1cc(cc(C)c1Nc2nc3c(c(N)cc(C)c3)s2)C	10511
+c1cc(ccc1)Cn2ccc3nc(Cl)nc(Oc4c(C)cc(cc4C)C(C)=O)c23	1438
+c1c(C)c(c(cc1-c2[nH]c3c(c2C)cccc3)C)OC	1150
+Cc1cc(cc(C)c1OCCCC)C=COC	1417
+c1(cc(cc(C)c1OCOCCOC)C=CC=CC(=O)O)C	108
+Cc1cc(cc(C)c1S(=O)(=O)N)N	106
+c1cc(ccc1Nc2nc(C)c([N+]([O-])=O)c(Sc3c(cc(cc3C)Br)C)n2)C#N	55
+c1(cc(cc(C)c1N)COCC)C	0
+Clc1cc(cc(Cl)c1)C(C)(C)C(N(C)c2cnc(Cl)cc2-c3ccccc3Cl)=O	2052
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3cc4c(cc3Cl)C(C(=O)O)CCO4)Cl	3
+c1(Cl)cc(cc(Cl)c1)COc2cc(C(=O)NCc3c(cc(cc3)C#N)O)cc(c2)Cl	14
+c1c(Cl)cc(cc1N=Cc2cc(ccc2O)Br)Cl	457
+c1c(Cl)cc(cc1Nc2nc(nc(NC)n2)Nc3ccc(cc3)O)Cl	360
+c1cc(ccc1N2C(c3c(c(ccc3)C)C2=O)=O)CC(C(OCC)=O)NC(=O)c4c(cc(cc4Cl)-c5[nH]nnn5)Cl	259
+Clc1cc(cc(Cl)c1CCC(NOC)C)Cl	3813
+Clc1cc(cc(Cl)c1-n2cc3cncc(c3n2)Cl)C#N	3027
+c1c(Cl)c(c(cc1[N+]([O-])=O)Cl)-n2cc3cncc(c3n2)F	3027
+c1(Cl)cc(cc(Cl)c1NCC(OCC)=O)CCNC(C(c2ccc(cc2)O)O)C	132
+c1c(Cl)c(c(cc1N)Cl)Oc2cc(c(cc2)O)C(NCCCCCCCCC)=O	0
+C1CN(CCC1C(c2cc(F)cc(c2)F)CCOC(C)C)S(=O)(=O)C	21
+c1(F)cc(cc(F)c1)C(CC(OC(C)C)=O)C2CCNCC2	62
+c1c(F)cc(cc1C)F	10512
+c1(F)cc(cc(F)c1)COc2cncc(C#N)c2	483
+c1c(c2C(CCCc2cc1F)=O)F	214
+c1(cc(cc(F)c1)CCCC(=O)O)F	10513
+c1(F)cc(cc(F)c1)Nc2ncccc2C(O)=O	1
+Fc1cc(cc(F)c1Br)OCCC2C(C3CCN(CC3)c4ncc(cn4)OCC)C2	20
+c1(cc(cc(F)c1C(C(=O)O)OC)OCC)F	3
+c1c(F)c(c(cc1OC)F)C#N	274
+c1c(F)c(c(cc1C=CC(=O)O)F)C2N(C(C)(C)Cc3c4ccccc4[nH]c23)CC(CF)C	127
+c1(F)cc(cc(F)c1C=CC(OCC)=O)N	530
+Fc1cc(cc(F)c1C2C(Nc3c(C2=O)ccnn3)=O)F	10514
+c1nc(ncc1COC)N2CCC(CC2)C3C(CCOc4cc(F)c(c(c4)F)CC(=O)OC)C3	20
+c1(cc(cc(F)c1F)C2c3nc(Nc4cc(OC)c(cc4)-n5cnc(Cl)n5)nc(NC)c3CC2)F	55
+c1(cc(cc(F)c1F)CCC2CCC(CC2)C=O)F	1143
+c1(cc(cc(F)c1F)CCC2CCC(CC2)=COC)F	2553
+c1(cc(cc(F)c1O)COCC(=O)OCC)F	16
+c1cc(ccc1-c2oc3cc(N(c4cc(F)c(c(F)c4)N)S(=O)(=O)C)c(C5CC5)cc3c2C(NC)=O)F	0
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(Br)c2)O	8
+COc1cc(cc(OC)c1Br)CO	49
+c1c(OC)c(c(cc1-c2nccc(CO)c2)OC)Cl	49
+c1(cc(cc(OC)c1Cl)-c2nccc(C(O)=O)c2)OC	6
+c1c(OC)c(c(cc1-c2nc(CO)cs2)OC)OC	1171
+c1cc(ccc1C(=Cc2cc(OC)c(c(OC)c2)OC)C(NCc3ccc(cc3)C(=O)OCC)=O)F	711
+c1c(OC)c(c(cc1CCCO)OC)OC	95
+O(c1cc(cc(OC)c1N)Br)C	0
+c1(cc(cc(OCC)c1-c2ccc(cc2)F)CO)OCC	217
+C1CN(CCC1NC(=O)c2cc(OC(C)(C)C(=O)O)ccc2)Cc3cc(OCC)c(c(OCC)c3)F	3
+O=S(=O)(c1cc([N+]([O-])=O)cc(N)c1)NC	0
+c1(F)cc(cc(F)c1)Oc2ccc(cc2)OC	46
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)Oc3cc(Br)cc(c3)Nc4cnccc4	1505
+c1c(c(O)c(cc1F)[N+]([O-])=O)-c2cc(C(=O)O)ccc2	5
+c1cc(ccc1)C(c2ccccc2)CCN3CC(CC3)NC(Nc4cc(nc(c4)C)CC)=O	282
+c1(nc(O)cc(OCc2ccc(cc2F)F)c1)C	139
+c1cc(ccc1)Oc2cc3nc(-c4ncccc4)nn3c(N)c2	10515
+c1(C=O)cc2c(C(=O)OC)nn(-c3cccc(c3)Br)c2cc1	39
+c1cc(cc(c1)C(c2cccc(c2)Br)=O)Br	335
+c1(cc(ccc1)C#N)-c2ccc(C(=O)O)cn2	1
+COc1ccc2C(N(c3cccc(C#N)c3)C=Cc2c1)=O	2333
+c1cc(ccc1)COc2cccc(c2)C3CC(=O)N(c4cccc(C#N)c4)C3	654
+c1cc(ccc1)-c2cc(C(=O)OC)ccc2	11
+c1(ccc(NC(c2cc(ccc2)Br)=O)cc1-c3ccnn3C)OCCOC	50
+c1c(cccc1Br)C(=O)N2Cc3cccn3Cc4c2cccc4	448
+C(C(c1cc(ccc1)Br)=O)C(CC=C)O	155
+C(c1cc(C=O)ccc1)C(=O)O	4
+c1cc(ccc1CNCc2cccc(CC(=O)OCC)c2)C	42
+c1ccc(CO)cc1CCCCOC	41
+c1(cc(ccc1)F)-c2cc(F)c(c(CNc3c(F)ccc(O)c3F)c2)C	162
+c1c(cc2[nH]c(c(Sc3cc(ccc3)C(=O)OC)c2c1)C)Br	1502
+c1(cc(ccc1)Nc2c3cc(c(N)cc3ncn2)[N+]([O-])=O)Br	106
+c1(cc(ccc1)Nc2c3cc(N)ccc3ncn2)Br	0
+Nc1c(N)cc2c(ncnc2c1)Nc3cccc(Br)c3	0
+c1cc(ccc1COc2cc(C=O)ccc2)Cl	139
+c1cc(ccc1OCC)COc2cc(C=O)ccc2	20
+COc1cccc(-c2nc(ccc2CC(OC)=O)Cl)c1	174
+c1(cc(ccc1)OC)-c2nc3n(ccc(c3)NC(c4n(C)ncc4C(=O)O)=O)n2	6
+c1(cc(ccc1Br)C2CO2)F	5020
+c1ccccc1COC(=O)N2CCCC2c3ccc(c(c3)F)Br	66
+c1(cc(ccc1Br)C2NCCC2)F	1218
+c1(cc(ccc1C=CC(=O)O)F)OC(CC)C	127
+c1cc(ccc1)CN2C(C(Cc3ccc(F)c(c3)C)OCC2)=O	10516
+c1(N)c(Nc2c(c(C(=O)OC)ccc2)C)ccc(F)c1	0
+c1(I)cc(c(cc1)NCc2cc(c(OCc3ccc(nc3)OC)cc2)OC)N	0
+c1(cc(C#N)ccc1[N+]([O-])=O)OC	274
+c1cc(ccc1)CN(C)Cc2ccc([N+](=O)[O-])c(c2)OC	131
+C(c1cc(OC)c(cc1)[N+]([O-])=O)C(=O)O	3
+c1cc(ccc1C)S(=O)(=O)Nc2c(C(OC)=O)cc(Oc3ccc(c(c3)NCCCC)[N+]([O-])=O)cc2	46
+c1(cc(c(N)cc1)OC)NCCCCCC	0
+Nc1c(cc(cc1)OCCO)OC	0
+O(C(C)=O)CCOc1cc(c(N)cc1)OC	0
+c1ccc(cc1C#Cc2cncc(C(=O)O)c2)NC(=O)c3c(cco3)C	1240
+O=S(c1cc(ccc1)C(=O)OC)(C)=NC(c2cc(cnc2)Br)=O	10517
+c1ccccc1S(=NC(=O)c2cncc(Br)c2)(C)=O	3144
+c1(cc(N)n[nH]1)C(Nc2cccc(c2)F)=O	161
+c1cc(ccc1C)S(=O)(=O)n2cc(CN3CCCC4(CCN(CC4)c5nc(OC)cc(n5)C)C3=O)c6ccccc26	117
+c1(cc(nc(SCc2ccc(N)cc2Cl)n1)O)C	0
+c1(cc(nc(SCc2cccc(N)c2Cl)n1)O)C	0
+c1(Cl)cncc(Cl)c1CSc2nc(N)cc(C)n2	2667
+c1cc(ccc1-c2c(C#N)cccc2)CN3C(=NC(=CC3=O)C)SCC	10518
+n1c(c(cc(NN)n1)OCC)OCC	10519
+c1(F)c(cc2c(c(ccc2)O)c1)Br	10520
+c1(C(=O)O)cc2CCSc2s1	1
+c1(cc2NC(=O)COc2cc1)N3CC(CC3=O)CO	1262
+c1(cc2c(cc1Br)CCC(=S)N2)F	199
+c1(cc2OCCc2cc1)C(CC(=O)O)NC(CCC3CCc4c(C3)nc5c(CCCN5)c4)=O	3
+c1cc(ccc1)OC(n2c-3c(c(n2)Nc4cccc(F)c4)Cc5c-3cc(OC)c(OC)c5)=O	3266
+C1CC2N(c3c(cc(CO)cn3)NC2=O)CC1	88
+c1cc(ccc1CN2C(CCCC)=Nc3ccc(-c4nn(CCCC=C)nn4)cc3C2=O)-c5c(C#N)cccc5	10521
+c1(cccc(c1)Nc2nc(c(cn2)F)Nc3cc4c(OCCO4)cc3)N	55
+c1ccccc1COC(N2CC(C(NCc3cc4OCCOc4cn3)CC2)O)=O	294
+c1cc(ccc1)COCc2nc3ccc(cc3c(NCc4ccc5OCOc5c4)n2)OC	40
+c1ccccc1C(O)c2cc3ccnc(Cl)c3[nH]2	5021
+c1cc(ccc1OC)CN2C=Cc3cc(c(Br)cc3C2=O)F	5022
+C1CN2CCC1C(C2)OC(Nc3cc(ccc3-c4ccccc4)C=CCN5C(=O)Oc6c5ccc(C=O)c6)=O	858
+C(CCSc1[nH]c2cc(C(OCC)=O)ccc2n1)CSc3c(c(O)c(cc3)C(=O)C)CCC	2465
+Nc1c2cc(ccc2ccc1)C(=O)N	0
+c1(cc2n[nH]cc2cc1Br)F	2363
+c1(sc(C(=O)O)c(n1)-c2ccc(Cl)c(Cl)c2)-n3cnc4cc(c(cc34)OC)OC	1
+C(=O)c1cc2c(ccc(-c3ccccc3C)c2)nc1Cl	200
+c1(cc2c(ccc(N)c2)nc1O)C(=O)O	0
+c1(cc2c3c(ccc2cc1)ccc(c3)O)Br	5
+o1c2cccc(c2cc1CO)Br	4333
+Nc1c2c(ccc1)cnc(c2)COC	0
+C1CC1COCCc2ccc(cc2)OCC(CNCCn3c4ccc(-c5ccc(nn5)O)cc4nc3)O	122
+c1(cc2c(n(CCN)cn2)cc1)-c3nnc(O)cc3	524
+c1(cc(OC)c(cc1)C#N)NCc2cc3cc(Cl)c(cc3nc2O)OCc4cnccc4	10522
+c1cc(ccc1OC)Nc2nc(Cl)nc3c2cc(-c4ccco4)cc3	73
+Nc1cc(cc2c1nccc2)OC	13
+c1ccccc1OC(Nc2c(Cl)cc(cc2)Oc3ccnc4cc(OCCOC)c(C(=O)OC)cc34)=O	90
+c1c2c(nccc2Oc3ccc(c(Cl)c3)NC(=O)NC)cc(OC)c1C(=O)O	1
+C(=O)(C)c1oc2cc(ccc2c1)C(=O)OC	3153
+c1(C(=O)O)cc2c(s1)nc(Cl)cn2	1
+c1(cc2c(scc2)cc1Br)F	1539
+c1(cc2c(sc(C(=O)O)c2)cc1Br)F	1
+c1(cc2c3c(cc(cc3C(=O)N(CCCC(O)=O)C2=O)C(O)=O)c1)N	0
+c1cc2cc(ccc2cc1O)C3(NC(=O)OC3)C	5
+C12C=C(CC(CC1)N2CCNc3cc(OC)cc4cccnc34)c5cc6c(cccc6)cc5	10523
+c1(cc2c(c(nn2c(OCc3c(F)c(ccc3F)F)c1)C)C(O)=O)C	6
+c1(cc2nc(C(NC(C)Cn3ccc(-c4cc(Cl)c(c(c4)F)C#N)n3)=O)cn2c(C)n1)C	312
+c1(cc2nc(C(=O)O)cn2c(C)n1)C	6
+COc1cc2c(cc1CC=O)nccc2	1292
+n1ccc(c(OC)c1CO)OC	813
+COc1cc(c(F)cc1)-c2ccc(CO)nc2Cl	398
+c1ccccc1OCCOc2ccc(Br)nc2C(OC)=O	1286
+c1cc(ccc1Cc2nc3nc(ccc3o2)Br)F	10524
+C(C(CCc1ccc(F)c(F)c1F)O)CCC	213
+O=C(c1ccc(c(Cl)c1)Cl)NC2c3c(CCC2O)ccc([N+]([O-])=O)c3	93
+c1(C(=O)OC)ccc(c(N)c1)NC2C(CCCC2)C	0
+c1(ccc(cc1O)C(C)C(=O)O)[N+]([O-])=O	3
+OCCC(c1ccc(c(Cl)c1)Cl)N	21
+c1ccccc1COc2c(ccc(C(=O)NCC)c2)[N+]([O-])=O	22
+C1CCCc2c(C(c3cccs3)=O)ccc(OCC(O)=O)c12	4
+c1(C)ccc(CO)nc1Cl	398
+Fc1c(C)ccc(c1)CN2CCC(C2=O)N3CC(C(c4cc(c(OC)cc4)F)CC3)F	2150
+c1ccccc1COc2ccc(cc2)C3CCN(CC3(F)F)C4C(N(Cc5cc(c(C)cc5)F)CC4)=O	2150
+Nc1c(N)c(c(C)cc1)C	0
+c1(ccc(C)cn1)-c2cc(cc(c2)-c3occn3)C(=O)O	1
+c1cc(ccc1)COc2c(cc(N)nc2CCCCCCCCCCOCOC)C	899
+C1CC1c2c(-c3nc(N)ccc3)ccc(c2)O	899
+COc1c(cc(CC)c(c1)O)-c2cccc(n2)N	899
+Cc1ccc(C)n1-c2nc(CCC(n3c(ccc3C)C)C)cc(C)c2	3008
+c1(OCOC)c(cc(cc1)C=C)OCOC	4749
+C1CC(CCC1)N(C(Nc2c(cc(CC(OCC)=O)cc2)Cl)=O)c3n(-c4ccc(cc4)Cl)nc5ccccc35	1587
+c1cc(O)cc(-c2ncnc3c(Cl)cccc23)c1Cl	5
+Nc1ccc(Cl)c(C(=O)O)c1Cl	0
+c1(ccc(c(N)c1F)Cl)C(=O)O	106
+Nc1c(nc(cc1)Cl)C(=O)N	13
+Fc1cc(cc(F)c1-c2nc(C(OC)=O)ccc2F)OC	119
+c1cc(ccc1F)CNc2c(F)c(N)c(cc2)[N+](=O)[O-]	60
+c1cc(ccc1F)C(C(=O)Nc2cc(F)ccc2C(N)=O)Br	33
+c1ccccc1COc2cc(I)ccc2[N+](=O)[O-]	22
+CCOC(=O)C(c1ccc2NC(=O)Nc2c1)C	2280
+c1cc(ccc1)COc2cc(ccc2)Nc3ncc(cn3)Nc4ccc(c(c4)Cl)Cl	10525
+c1cc(ccc1NC(=O)C2C(CC(C2)=C)NC(c3c(F)cc(cc3)N4C(C=CC=C4)=O)=O)Cl	14
+c1(ccc(N2CC(CO)CCC2)cc1C(Nc3c(C)c(C(=O)O)ccc3C)=O)C	1
+c1(ccc(N)cc1-c2ccnn2C)OCCOC	106
+CC(=O)Nc1cc(c(cc1)C(=O)C)O	5
+c1(ccc(Nc2c(N)cccc2)cc1F)C(OCC)=O	0
+c1ccccc1NC(c2c(ccc(Br)c2C)O)=O	67
+c1cc(cc(F)c1CSc2ccc(OC)c(Cl)c2Cl)F	1128
+N(Cc1ncccc1)Cc2cccc3c2nc(o3)-c4cc(OC)ccc4O	241
+c1(ccc(OC)cc1OC)-c2cc(C(=O)O)ccc2	1
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccc(-c4cc(C(=O)O)c(C)o4)cn3)=O)c2	1
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccccc3-c4sc(CC(O)=O)cc4)=O)c2	4
+c1(c(C(=O)O)nc(OC)cc1)O	1
+C1CC(CC(C1)N)c2ccc(OCOC)cc2OCOC	733
+c1(ccc(N)cc1-c2nc(O)c3c(n2)c(CCC)ccn3)OCC	0
+c1ccccc1-c2c(cc([N+]([O-])=O)cc2)OC	11
+c1ccccc1C(=O)Oc2c(c(C)c(cc2)C)-c3c(C)c(C)ccc3O	1039
+O=C1N(C(=Nc2ccc([N+]([O-])=O)cc12)CF)c3ccc(cc3C)C	2796
+c1(OC)c(c(c(Cc2c(Cl)ccc(c2)Br)cc1)F)F	394
+c1cc(ccc1)COc2c(c(c([N+](=O)[O-])cc2)F)F	57
+c1cc(ccc1)C(=O)NCC(CCOC2CCCCO2)c3ccc(c(Cl)c3)Cl	10526
+c1ccccc1COC(=O)c2cc(Br)c(C#N)cc2	470
+c1(ccc(cc1Br)C(=O)O)C#N	1
+c1c2c([nH]cc2CC(C(N)=O)Nc3ccc(c(c3)Br)C#N)ccc1	2002
+c1(C(Nc2cc(ccn2)-c3c(nc4cccnn34)-c5cc(c(cc5)F)C)=O)ccnc(C)c1	1372
+C(O)c1ccc(cc1F)CBr	49
+C(Cc1ccc(-c2ccc(cc2F)F)c(c1)F)(=O)O	3
+c1cc(ccc1F)Sc2c(ccc(F)c2)C(=O)O	826
+CC(C(=O)O)c1cc(c(N)cc1)O	0
+c1ccccc1COc2cc(ccc2[N+]([O-])=O)C=O	22
+c1ccccc1COC(=O)c2ccc(c(OC)c2)Br	470
+c1(ccc(cc1OCCc2cc(C)ccc2)C(=O)O)Br	1
+Nc1cc(-c2ccc(cc2C)C(=O)OC)ccc1CC	0
+C(OC)C1CCC(C(OC)=O)CN1	10527
+c1(ccc(nc1C(=O)O)C)-n2nccc2	1
+n1c(c(ccc1NC(c2c(cccc2)F)=O)Br)N	330
+c1ccccc1-c2c(nc(cc2)OC)N	89
+c1ccccc1CN2N=C(c3ccccc3C2=O)Cc4c(C)[nH]c5c4cc(Cl)cc5	10528
+c1cc(ccc1NC=C2C(Nc3cc(-c4cccc(OC)c4)ccc23)=O)OCCCN(CC)CC	1300
+c1c(C(=O)O)nc2NC(=O)CSc2c1	1
+Clc1ccc2c(nc([nH]2)-c3c-4c(ccc3)C(c5c-4cccc5)N)c1	4334
+c1cc(N)c(cc1)CSc2[nH]c3cc(ccc3n2)C	3089
+c1c(OC)c2c(c(c1)Br)ccc(n2)C(=O)O	1
+c1(ccc2c(n(CCN)cc2)c1)N3C(c4cc(OC)ccc4C3)=O	51
+c1c(nc2c(c1)scc2Br)C(=O)O	1
+c1(ncccc1OCCN(CC)CCNC(=O)c2ccc3c(n2)c(I)cnc3)F	780
+c12c(cccc1)C(=O)N(C2=O)CCN(C)Cc3nc4c(cc3)cccc4	315
+c1c(nc2oc(C3C(C)C3)cc2c1)C(=O)O	1
+OCc1ccc2cc(cc(Br)c2n1)F	194
+c1ccccc1CC(=O)c2c(-c3ccc4c(c3)ccc(c4Br)OCC#N)sc5ccccc25	1487
+Nc1ccc2n3c(cc2c1C(=O)OC)CCC3	0
+c1cc(ccc1OCc2ccc3nc(Br)nn3c2)C(CC(=O)OCC)C#CC	751
+c1cc(ccc1OCc2c3cccnc3ccc2[N+]([O-])=O)NC(=O)C	22
+c1ccccc1COC(=O)c2[nH]ccc2	470
+C(CC)N(CCC)CCCCN(Cc1ccc[nH]1)Cc2ccc(cc2)C#N	315
+c1ccccc1-c2nc(Cn3cc(C(=O)OCC)cn3)sc2	562
+c1ccccc1-c2cccc(c2F)C#N	11
+c1cc(ccc1Nc2nc(-c3cccc(n3)Br)nc4ccccc24)Cl	10529
+c1c(Br)nc(C(Nc2cn(C)nc2C(=O)N)=O)cc1	2491
+c1(cccc(C(=O)O)c1)N2C(=O)c3c(nc(SC)nc3)N4C(CCC4)C2	6
+c1(cccc(C=2OC(NN=2)=O)c1)N3C(=O)c4c(nc(SC)nc4)N5C(CCC5)C3	10530
+c1c(cccc1C2=Nc3cccc(Cl)c3C(=O)O2)F	4269
+c1(C)cccc(C)c1-c2cccc(CO)c2	41
+c1c(C)c(c(cc1)C)-c2nc3ccc(cc3[nH]2)C=O	39
+c1(C)cccc(C)c1-c2ccc3c(c2)c(ncn3)O	11
+Cc1cccc(C)c1-c2ccc3n4c(nc5ccccc45)c6c(nc(C)cc6)c3c2	667
+c1c(C)c(c(cc1)C)-c2ncnc(-c3ccccc3)c2	198
+Cc1cccc(C)c1-c2nc3c(CN(Cc4ccccc4)CC3)c(OC)n2	345
+c1c(C)c(c(cc1)C)-c2cnc(cn2)N	356
+c1(C)cccc(C)c1CNc2c3[nH]c(cc3nc(Cl)c2)C	10531
+c1(cccc(C)c1CNc2c(c(nc(Cl)c2)C#CC)N)C	13
+c1(CN2c3c(cccc3)CCCC2=O)cc(ccc1)Br	1126
+C1OCC1(c2ccc(cc2)OCc3cccc(Br)c3)CC(=O)OCC	22
+c1cc(ccc1OCc2cccc(n2)C(OC)=O)I	951
+c1cc2c(cccc2)nc1COc3ccc(NCc4cc(ccc4)Br)c([N+]([O-])=O)c3	60
+c1cc(ccc1C)C(CN(C)Cc2cccc(c2)Br)=O	676
+c1c(Cl)c(c(cc1)Cl)-c2ccc3cc(CC(NC(c4c(Cl)cccc4Cl)=O)C(=O)OC)ccc3n2	946
+Clc1cccc(Cl)c1-n2c(c(C(C)C)cn2)CO	629
+c1c(Cl)c(c(cc1)Cl)C(CO)Cc2c(cc(Cl)cc2)Cl	95
+c1c(Cl)c(c(cc1)Cl)C(=O)c2cc3c(C(C#N)=C3)cc2O	5
+c1(cccc(Cl)c1CCOCCN2CCC(CC2)=O)Cl	86
+c1cc(ccc1OCc2c(onc2Cc3c(Cl)cccc3Cl)C(C)C)-c4ccc5c(c4)cccc5C(OCC)=O	20
+c1(cccc(-c2nc3c([nH]2)cccc3)c1[N+](=O)[O-])Cl	1127
+c1c(NC(=O)c2cccc(n2)Cl)c3c(cc1-c4c5c([nH]cc5)ccc4)[nH]nc3	187
+c1ccccc1CNC2=CC(=O)N(Cc3cccc(F)c3)C=C2	10532
+c12CCN(C(=O)c1ccc(OCc3cccc(F)c3)n2)c4ccc(cn4)F	2334
+c1c(F)c(c(cc1)F)C(Nc2ncc(cc2)-c3cc4OCCc4cc3Br)=O	330
+c1c(F)c(c(cc1)F)Cc2c(c(ccc2)OC)N(S(=O)(=O)c3cc(c(cc3)OC)OC)CC(O)=O	3
+c1(cccc(F)c1NC(=O)c2ccc(Cc3cc(Cl)ccc3O)o2)F	173
+c1(cccc(F)c1Oc2ccc(cc2)N)F	0
+c1c(CO)c(F)c(I)cc1	49
+c1(cc(ccc1)Nc2c3cc([N+]([O-])=O)c(NC(C)=O)cc3ncn2)Br	2212
+c1(cc(ccc1)Nc2c3c(cc(nc3)N)ncn2)Br	10533
+c1cc(ccc1)Oc2cccc(Nc3cc(Nc4cc(ccc4)N)ncn3)c2	73
+N1(C(=Nc2cccc(CO)n2)SC(Br)=C1)COC	398
+c1c(Nc2ncnc(c2)Cl)nc(cc1)NC	349
+c1c(ccc(C(O)c2cccc(OC)c2)c1F)F	257
+c1cc(ccc1)P(c2ccccc2)(c3cccc(c3)OC)=O	10534
+c1cc(ccc1)-c2ccccc2-c3cccc(OC)c3	11
+c1(cccc(OCC(=O)O)c1)Br	4
+c1c(cccc1Br)OCC(O)CN2CCc3ccccc3C2	170
+c1c(c(OCC(O)c2cc(OCc3cc(c(cc3)Cl)Cl)ccc2)cc(c1)C#N)F	74
+Nc1cccc([N+]([O-])=O)c1O	0
+c1cc(ccn1)C=Cc2cc([N+]([O-])=O)ccc2	722
+Nc1c(c(ccc1)C(=O)O)F	0
+c1(c(F)c(N)ccc1)C(c2c[nH]c3c2cncn3)=O	0
+c1(cccc(-c2nc(N)[nH]c2)c1)Br	10535
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(c(n4)-c6cc(ccc6)Br)cnc(Cl)n5	10536
+c1(-c2nc3c(c(n2)O)cc(c(OC)c3)O)cc([N+]([O-])=O)ccc1	5
+c1(cccc(C(=O)O)c1)Nc2nc(ccn2)-c3ccnc(c3)Cl	6
+C(c1nnc2N(CCCCC)c3[nH]cnc3C(=O)n12)c4cc(ccc4)Br	10537
+c1ccccc1-c2cccc(CC(=O)OC)c2	11
+CN1C(=O)C=C(CCc2ccccc2Br)NC1=N	10538
+O=Cc1c(ccc(c1)Br)OCCOc2cc(Br)ccc2	8
+c1cc(ccc1-c2cccc(c2)O)-n3c4c(c5ccccc35)cccc4	11
+c1ccccc1COc2cc(Br)ccc2	22
+c1cnccc1CC(c2cccc(OC)c2)(c3cccc(OC)c3)O	10539
+c1c(OCCCCCCc2cccc(c2CCC(OCC)=O)OCCCC(=O)OCC)cc(cc1Br)C(C)=O	8
+c1(cccc(c1CCC(OCC)=O)OCCCC(=O)OCC)CCCCCCOc2cc(cc(Br)c2)CO	8
+c1ccccc1COc2c(Cc3c(OC)c(c(c(c3C)OC)OC)OC)cccc2C=O	22
+O(c1c(OCC=C)c(ccc1)C(=O)C)CC=C	155
+CN(C)C(=O)c1ccc(cc1)-c2cnc(c(C(NNC(c3nc(N)ccc3)=O)=O)n2)N	10540
+c12c(CC(OCC)=O)coc1c(ccc2)OC	10541
+c1c(CO)c2c(ccc(OC)c2)cc1	49
+c1(OCCCCCCCCCl)cccc2ccccc12	450
+c1(ccccc1-c2[nH]nc(NC(N)=S)c2)Br	10542
+Nc1nc2c(s1)c(-c3ccccc3Br)[nH]n2	10543
+n1c(oc(C)c1COc2cc(c(CC(C(=O)OC)OCC)cc2)CC)-c3c(cccc3)F	547
+c1c(c(ccc1)-c2c3c(ccc(C#N)c3)n[nH]2)OC	804
+c1(ccccc1-c2noc(c2C(O)=O)C)OC	6
+c12c(c(N)c(C(NCCCC)=O)nn1)cccc2Br	10544
+C=1(OC(=O)c2c(cccc2)N=1)CC	2665
+c1cc(ccc1CCCCC)C(NNC(=O)c2c(cccc2)SCC)=O	1601
+c1cc(ccn1)C=Cc2ccc3c(ccc(n3)NCc4c(OC)cccc4)c2	722
+c1(ccccc1COc2cc(c3c(nc(C)[nH]3)c2)C)C(OC)=O	2712
+c1(ccccc1Cl)-c2cc(O)cc3N(c4c(ccc(C(=O)OC)c4)C)C(=O)CCc23	5
+c1(ccccc1Cl)-c2n3c4ccc(cc4nc(C)c3c(C)n2)O	5
+c1(ccccc1Cl)-c2n3c4ccc(cc4nc(C)c3c(C)n2)OCc5cccc(c5)N	0
+O=S(=O)(c1ccccc1)C(C#N)=Cc2ccnc(-c3ncn(Cc4c(cccc4)Cl)c3)c2	2593
+c1(ccccc1Cl)Oc2cc(C(C)C(O)=O)c(OC)cc2	3
+c1(ccccc1Cl)Oc2cc(c(C(C)N)cc2)Cl	840
+c1(ccccc1Cl)Oc2cc(C(C(=O)OCC)C)c(OC)cc2	3253
+c1(ccccc1Cl)Oc2ccc(c(CO)c2)OC	41
+NCC(=O)c1ccccc1OC	10545
+c1ccccc1C(C(C(OCC)=O)=CNc2ccccc2OC)=O	10546
+c1(ccccc1Oc2cc(CC)ccc2O)C	5
+C(NNC(=O)c1cc(C#N)ccc1)(=O)c2cccnc2	4739
+c1cc(ccc1-c2ccccc2)C(N3CCN(CC3)c4nc(NC(c5cccnc5)=O)nc6sc(cc46)CC)=O	4769
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CCNC(=O)c3cccnc3	2896
+c1nc(ncc1)Cn2c(Br)cc(n2)NC(c3cnccc3)=O	2370
+c1(CNc2cc(ccc2)-n3cnc4c3ccc(C(=O)NCc5cnccc5)c4)cccnc1	2116
+C1CC(CCN1Cc2cnccc2)n3nnc4c(N5CCOCC5)nc(nc34)-c6ccc(cc6)NC(=O)NCCN(C)C	565
+c1(cccnc1Br)CO	269
+c1ccccc1CCCC(O)c2cccnc2Br	1430
+c1cnc(C2CCCC(c3c(cccn3)C)N2CCCCn4ccnc4)c(c1)C	28
+c1cnccc1C=Cc2cncc(C=Cc3cc(Nc4ncccc4[N+]([O-])=O)ccc3)c2	1807
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(O)nccc3	328
+c1(cccnc1OCC(C)F)Nc2c3c(c(C(=O)O)sc3ncn2)C	1
+c1cc(c(SCc2c3ccccc3ncc2)nc1)C(=O)O	3465
+c1cnccc1CSc2ncccc2C(=O)O	10547
+c1(cccnc1N)OC(C)c2c(Cl)ccc(F)c2Cl	161
+c1(nc(nc(C)c1C(NC(CNC(c2cccs2)=O)C(OC)=O)=O)NCCCc3cccc4c3cn[nH]4)C	227
+c1(nc(nc(C)c1C(NC(CNC(c2cccs2)=O)C(OC)=O)=O)NCCCc3cc(O)ccc3)C	227
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCC(Nc4cc(c(C=COC)cc4Cl)OC)=O)=O)O	1417
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCC(Nc4c(Cl)cc(c(OC)c4)C=O)=O)=O)O	39
+c1(cccs1)C(c2cccs2)(C(OC3CCC(CC3)N(C)CCC(=O)Nc4c(Cl)cc(CC=O)c(OC)c4)=O)O	1292
+C1CC(CCC1N(CCCN2C(Nc3cc(ccc23)C=O)=O)C)OC(C(c4cccs4)(c5cccs5)O)=O	28
+c1ccccc1OC(=O)Nc2cc(OCc3sccc3)c(C#N)cn2	278
+c1(ccn2C=C(NC(c12)=O)CO)C	10548
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C(N(OC)C)=O)ccn3	10549
+C(c1ccnc(-n2ccnc2)c1)(=O)O	10550
+c1cc(ccc1F)-c2coc(C3CCCN(C3)C(=O)c4ccnc(F)c4)n2	30
+Sc1nccc(SC)c1C	4455
+c1cc(ccc1)CN2CCC(CC2)(c3c(ccnc3)CO)O	1239
+Clc1c(ccnc1)CNc2ccc(cn2)C(=O)OC	811
+O=S(=O)(c1ccccc1)n2c3ccc(cc3c4c2CCN(C4=O)c5cnccc5C)F	10551
+c1cc(ccc1N2CCN(c3c(ccnc3)C)C2=O)F	2626
+c1(ccncc1N2CCNC2=O)C	3461
+c1cc(ccc1C(Nc2c(CNC(=O)c3oncc3)cc(F)c(Nc4[nH]nc(c4)C5CC5)n2)C)F	10552
+c1cc(ccc1-c2c(C)ccc(NC(c3cocc3)=O)c2)C(OC)=O	10553
+c1ccccc1-c2c(C(C)C)nc(N3CC(N(C(=O)c4ccoc4C)CC3)C)c(c2)C#N	1859
+c1cc(ccc1F)CNC(=O)c2sccc2C	227
+c1ccccc1CNC(=O)c2sccc2C	227
+c1cc(ccc1-c2cc3c(c(n2)O)ccs3)OC	10554
+c1(cnc(C(CCCCC#Cc2c(cccc2)Cl)=O)o1)-c3ncccc3	121
+O=Cc1cnc(cc1Cl)Cl	1639
+c1c(I)cc(c(Nc2c(cnc(Cl)c2)C(=O)OCC)c1)F	179
+c1ccccc1Nc2cc(Cl)ncc2C(=O)OCC	179
+c1cc(ccc1)Oc2cc(ncc2C(OCC)=O)Cl	242
+c1cc(ccc1OC)CNc2c(C(OCC)=O)cnc(Cl)c2	105
+C(C)OC(c1cnc2ccc(cc2c1)OC)=O	4272
+c1c(Cl)c(c(cn1)Cl)CO	41
+c1cc(ccc1S(=O)(=O)Nc2cncc(-c3sc(cc3)-c4cc5c(cc4)C(N(C)C5)=O)c2)F	322
+c1(cnccc1)-n2cc(c3ccccc23)CCC(=O)O	3
+c1(cnccc1)-n2cc(c3ccccc23)CCC=O	578
+c1(cnccc1)-n2cc(c3ccccc23)CCCO	237
+[N+](=O)(c1c(NCCOCCCc2cccnc2)c3ccccc3n4c1nnn4)[O-]	2048
+c1cnc(C(=O)Nc2cc(c(-c3cccnc3)nc2N)-c4c(cncc4)F)cn1	1285
+c1(cnccc1-c2cc3NC(Nc3nc2-c4cccnc4)=O)F	3100
+c1(c(nc(N)c(c1)N)-c2c(cccc2)F)-c3c(cncc3)F	13
+c1(cnccc1-c2c(-c3cccnc3)nc(N)c(c2)N)F	13
+c1(cnccc1NC(c2cnc3c(Nc4nc(ccc4)Br)cc(Cl)nn23)=O)F	3599
+c1(nc(cs1)-c2cc(Br)c(c(Br)c2O)O)C(O)=O	6
+C(O)c1c(c(sc1)C)C	4267
+c1(n(C)nc(CC)c1Cl)CO	194
+C(c1c(n(CCO)nc1C)C)C(=O)NCc2ccc(cc2Cl)F	647
+c1(n(CCCC(=O)O)nnn1)C	4
+c1(n(c2cc(cc(C)c2n1)C(=O)O)Cc3ccc4c(CCc5c(C4=CC#N)cccc5)c3)CCC	1
+c1c(F)cc(cc1CC(NC(=O)Cn2c3COCc3c(C(OC)=O)n2)c4c(-c5cc(c(cc5)F)C(N)=O)cccn4)F	1114
+O(C)c1c(N)cc(Br)nc1C(=O)O	1
+c1c(cnc(c1)NC(c2nc(cc(C#N)c2)CC)=O)F	10555
+c1cc(ccc1)COc2c(C)nc(Br)c(c2C)C	1900
+C(CC=C)CC(c1n2c(c(n1)C)C(NC(=N2)Cc3ccc(c(OC)c3)OC)=O)C(C)O	100
+c1(nc(CNc2nc(nc(Cl)c2NC=O)N)ccc1)N3CCCC3=O	40
+OCc1nc(Cl)ccc1	59
+c1(nc(N)nc(C)n1)-c2cccnc2Nc3cccc(c3)O	3147
+c1cc(ccc1)OC(Nc2nc(CN(C)C(c3nccnc3C)=O)cs2)=O	810
+c1ccccc1NC(=O)c2cccc(N3Cc4c(CC3)nc(SC)nc4)n2	187
+c1(nc(N2CCc3c(C2)cnc(SC)n3)ccc1)C(=O)O	1
+c1cc(ccc1)COc2c(c(cc(C)n2)O)C(=O)OCC	1424
+c1cc(ccc1)OC(C)c2ccc(C(NCc3c(cc(nc3O)C)C)=O)nn2	81
+c1cc(ccc1C(NCc2c(nc(C)cc2C)O)=O)C(C)OCC	14
+c1cc(ccc1C(C)CCO)C(NCc2c(nc(C)cc2C)O)=O	14
+c1ccccc1C(n2c(C)c(C(NCc3c(O)nc(cc3C)C)=O)c4c2cccc4)C	56
+c1ccccc1C(n2c3nc(Cl)ncc3c(c2C)C(=O)NCc4c(cc(nc4O)C)C)C	56
+c1cc(ccc1)C(=O)NC(=S)Nc2cc(Br)cc(C(OC)=O)n2	1780
+c1c(nc(c(C)c1)CO)C#N	59
+n1c(C)c(c(nc1NCCCc2cc(O)ccc2)C)C(=O)NC(C(O)=O)CNC(=O)c3sccc3	4
+n1c(C)c(c(nc1NCCCc2cccc3c2cn[nH]3)C)C(=O)NC(C(O)=O)CNC(=O)c4sccc4	4
+c1cc(cc(F)c1Oc2cc3c[nH]nc3cc2)Nc4nc(N)nc(c4)Cl	73
+C(C)OC(c1csc2cc(Oc3nc(N)nc(Cl)c3)ccc12)=O	185
+c12cc(Oc3nc(N)nc(Cl)c3)ccc1[nH]cc2	185
+c1ccccc1-c2nc([nH]c2)C3OCCN(c4nc(nc(Cl)c4)N)C3	54
+c1ccccc1Nc2cc(nc(N)n2)Cl	73
+c1cc(ccc1Nc2nc(N)nc(c2)Cl)C	73
+c1cc(ccc1Oc2cc(C)ncc2)Nc3nc(N)nc(c3)Cl	73
+c1cc(ccc1NC(=O)C)S(=O)(=O)Nc2cc(Cl)nc(n2)NCC	570
+Nc1nc(nc(N)c1N)-n2nc(c3c2cc(cn3)F)Cc4ccccc4F	193
+c1(nc(nc(OC)c1)NC(=O)NS(=O)(=O)c2c(C(OC)=O)ccc(CCNC(=O)OC)c2)OC	10556
+c1(nc(nc(OC)c1)NC(NS(=O)(=O)c2c(cccc2)C(O)=O)=O)OC	1
+c1(nc(nc(c1)C=O)OC)C	2714
+c1cc(ccc1OC)Cn2cnc3c(nc(N)nc23)Cl	5023
+c1ccc2c([nH]c(C(NC(=S)N)C)n2)c1	2806
+c1(nc2c(c(C)c1)C(N(C(=O)N2C)CCCCC(O)C)=O)C	59
+c1cc(ccc1)C2CN(CC2)c3c4c(ccc(c4)N5CCCC5=O)nc(C)c3	264
+c1cc(ccc1OCc2ccc3ccccc3n2)CC(=O)OCC	412
+c1cc(ccc1OCc2nc3c(cc2)cccc3)OCCC#N	412
+c1cc(ccn1)C#Cc2ccc(cc2)OCc3nc4c(cc3)cccc4	412
+c1(nc2c(cn1)cccc2)COc3cc(N)ccc3	0
+O=C(O)c1oc2ccc(cc2c1)Oc3nc4c(s3)cccc4	1
+c1(nc2c(nc(Cl)c(C#N)c2)n1C)C	1453
+c1(nc2ccc(N)cc2cn1)N	0
+c1(Cl)c(c(c2ccccc2n1)NCC#C)N	13
+c1cc(ccc1F)-c2cc(on2)CNc3c([N+]([O-])=O)c(Cl)nc4ccccc34	2347
+c1cc(ccc1[N+]([O-])=O)N(c2c3c(nc(C)n2)cccc3)C	860
+O=Cc1ncc(C)cc1C	178
+n1cc(Cl)nc(Cl)c1C(=O)C	4404
+Nc1cc(Cc2cnccc2)cnc1NCCCc3ncc(cc3C)Br	13
+CC(C)(c1cc(n(-c2ccc(cc2)C)n1)NC(=O)Nc3c(Cl)c(Cl)c(cc3)Oc4ccnc(n4)Cl)C#C	446
+c1cc(ccc1Oc2ncccc2-c3nc(N)ncc3)N	136
+c1cc(-c2ccccn2)c(OC)cc1-c3nc4n(cccc4)c3	440
+C1C(=Cc2ccccc2OC1)C(Nc3ncccc3)=O	10557
+c1cc(ccc1O)Nc2ccccn2	781
+c1cc(ccc1-c2ccc3n(c(cn3)C#Cc4cc(ncc4)Nc5ncccc5)n2)C(N6CCOCC6)=O	346
+c1cc(ccc1CO)CNc2ccccn2	811
+C1C2(CCC1(CCC2)NC(=O)c3nc(C)cnc3)C(Nc4ncccc4)=O	142
+c1cccn2c(-c3nc(Cl)ncc3Cl)cnc12	10558
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4ccc(cc34)C(O)c5c(nccc5)OC	2988
+c1(C(C=O)C)ncccc1Cl	24
+c1(ncccc1OCCN(CC)CCNC(c2nc3n(cc(cc3)I)c2)=O)F	2588
+c1(ncn(-c2c(F)cc(N)cc2OC)n1)C	0
+c1c(c(ccc1F)C2c3nc(nc(c3CC2)NC(C)CCCOc4cc([N+]([O-])=O)ccc4-n5cnc(C)n5)Cl)F	40
+c1cc(ccc1F)C2CCc3c2nc(Nc4ccc(-n5nc(nc5)C)c(OC)c4)nc3NC	55
+c1(ncn(n1)-c2ccc(N)cc2OC)C	0
+c1(ncn(n1)-c2ccc(cc2OC)C#CCCCC=O)C	24
+c1cc(ccc1F)N2C(c3c(cccc3N=C2C(CC)Nc4ncnc(N)c4-c5nn(cn5)C)Cl)=O	40
+c1c2c(sc1C(=O)OCC)ncnc2Cl	10559
+c1(nn(c2cc(ccc12)N)Cc3ccc(C(=O)OC)cc3OC)OC	0
+c1n(nc(c1)N)CC(Nc2cccc(c2)F)=O	161
+c1(nn2c(cccc2Br)c1N)CC	209
+c1cc(ccc1Oc2ccnc3c2ncc(c3)OC)Nc4c5c(c(Cl)nn4)cccc5	1443
+c1(nncc2c1ccc(C)c2N)O	0
+C(CCc1nnn[nH]1)(c2cc(c(cc2)Cl)Cl)=O	214
+c1(nnn[nH]1)CCC(=O)O	4
+Oc1ccccc1C=Cc2cc(no2)CC	10560
+c1(nsc2ccc(N)cc12)NCCNC(=O)c3ccccn3	0
+c1(oc(C=O)cc1)CCCCCCCC(=O)O	4
+c1c(ccc2oc(C(=O)OCC)cc12)O	5
+C(C)C(CC)(c1cc(c(cc1)O)C)c2cc3c(cc(C(=O)OCC)o3)cc2	4438
+c1cc(ccc1-c2c(C(NC)=O)c3cc(c(cc3o2)N(C)S(=O)(=O)C)C4CCCN(c5nc6c(C#N)cccc6o5)C4)F	2600
+s1c(-c2c3ccccc3ccc2)c(nc1C(O)=O)C	6
+n12cc(COC(C)=O)sc1cnc2	10561
+c1cc(ccc1F)C(=O)Nc2c(nc(Nc3cc4cccnc4cc3)s2)C(N)=O	3154
+C1N(C(N(C1O)c2sc(C(C)Oc3cc(c(Cl)cc3)Cl)nn2)=O)C	88
+c1-2[nH]c3ccccc3c1Cc4c-2ccc(NCC)c4	15
+C(C)N(CC)c1cc2Cc3c([nH]c4c3cccc4)-c2cc1	15
+c1c2n(cc1C#N)-c3ccccc3N(CC)C2=O	1453
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C)Cc4c5cc(O)ccc5[nH]n4	101
+n1c2cc(nc(N3CC4C(NCC4)C3)c2ncc1)Cl	5024
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4C(CCC(C(=S)N)C4)C	199
+C1C2CCC(CN1)N2S(=O)(=O)CC	5024
+O(CC)C(OCC)C(N(Cc1cccc2cccnc12)C(C(C)N)=O)C	2139
+c12-c3c(cccc3)C(c1cccc2)COC(=O)N4C5CN(c6c7c(nccn7)cc(n6)Cl)CC5CC4	10562
+c12-c3c(cccc3)C(c1cccc2)COC(N4CCC(CC4)(CO)c5ccc(cc5)Br)=O	21
+C1CC(CCO1)NC(=O)c2c3c(cc(C(C)N)n2)cccc3Cl	2769
+n1ncn(c1)-c2ccccc2CNC(=O)C3N(C(C4(c5ccccc5-c6c4cccc6)O)=O)CCC3	9
+c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C4=Nc5cccc(C)c5C(=O)O4	2665
+CC(C)C(=O)Oc1cc2c(cc1)n[nH]c2CC(N)C	2769
+c1cc(ccc1)CC(C(=O)NCC(O)=O)N	2139
+c1c(cc2cc[nH]c2c1CC)Br	1561
+C1(CCOc2ccccc12)CC=O	24
+c1cc(c(CO)c(CO)c1)C	98
+c1ccccc1COc2cc(O)c3c(Oc4ccccc4C3=O)c2	22
+c12C3=C(C(CCC3(C)Cc1cc(cc2)O)=O)Br	5
+n1(c2c(c(C=O)n1)C3CCC2C3)C	178
+c12CC(C(O)=O)NC(CCC)c1[nH]c3ccccc23	4
+C1c2cc(c(cc2CC13C(NC(=O)N3C)=O)N)N	0
+c12CCC(Cc1c(N)ccc2)O	100
+c1ccccc1OC(Nc2cccc3CCC(O)Cc23)=O	90
+c1cc2c(CCC(NC(CC)=O)C2)c(N)c1OC	0
+C12CCC3(C)C(CCC3C1CCC=4CC(OC)=CCC2=4)=C	10563
+n1cc2c(CCCC2O)c(Br)c1	652
+C1CCCc2c1cc(c(N)n2)N	13
+c1c2c(CCNC2C)c(Br)cc1	1218
+c1cc(ccc1OC)S(=O)(=O)N2c3c([N+](=O)[O-])cc(cc3CC2)Br	416
+c1c2c(CCc3ccccc3C2=C4CCC(CC4)NC(=O)OCc5ccccc5)ccc1	904
+C1Cc2ccccc2C(c3ccccc13)C(C(=O)O)C(=O)O	3
+c1cc(ccc1C(=O)N2Cc3n(ccc3)Cc4c2ccs4)[N+](=O)[O-]	4028
+c1cc(ccc1Cl)CNC(C2=CN3c4c(cc(cc4N(C)C(C3)=O)I)C2=O)=O	1267
+C1(N(C(N(c2c1cccc2)CC(=O)Nc3cc(Cl)c(OC)cc3OC)=O)CC(=O)O)=O	4
+c12OC(=O)C3=C(C(C(C(=O)Nc4[nH]nnn4)=CN3C)=O)c1cccc2	10564
+c12OC(=O)C3=C(C(C(=CN3C)C(=O)O)=O)c1cccc2	108
+c12OCC(C)N3c1c(c(N)c(c2F)F)C(C(C#N)=C3)=O	10565
+c1ccc2c(OCCCC2N)c1	840
+O=S(=O)(n1c2c(cc1)c3CN(C)CCOc3cc2)c4ccccc4	367
+c1c(cc2c(c1)OCCO2)O	1437
+c12OCOc1cc3C4(c5c(N(C4=O)CC(=O)O)cccc5)COc3c2	3
+c12OCOc1cc3C4(C(N(CCC=O)c5c4cccc5)=O)COc3c2	24
+O(C)C(c1c(C(O)=O)c(OCc2cc3c(OCO3)cc2)ccc1)=O	1
+c12[nH]c(C)cc1cc(cn2)O	390
+c12c(NC(C1=Cc3[nH]c4CCCCCc4c3CCC(=O)O)=O)cccc2-c5cccc(F)c5	292
+c12c(C(C(N1)=O)=Cc3[nH]c4CCCCCc4c3CCC(=O)O)cc(cc2)Br	292
+NC(=S)c1cc2c([nH]1)c(cc(c2)Oc3cnc(cc3)COC)OC	742
+c12[nH]c(cc1cc(Oc3cnc(cc3)COC)cc2OC)C(=O)O	6
+c1ccccc1-c2cc(C)c3[nH]c(CCC)nc3c2	495
+c1ccccc1C=C2C(=O)c3c(c4c(c(ccc4[nH]3)Cl)Cl)CC2	1103
+c12C(CNc1cccc2)C	10566
+c12c(c(CC(NC(=O)C)CO)c[nH]1)nccc2	44
+[N-]=[N+]=NCc1ccc2c([nH]cn2)c1	925
+c1n(c2c(ccc(N)c2)n1)-c3nc(Cl)cnc3	10567
+c12[nH]cnc1ccc(N)c2	0
+c12[nH]cnc1ccc(CO)c2	217
+c1ccccc1N(NC(c2c3ccccc3nc(c2Cn4cnc5c4cccc5)-c6ccccc6)=O)C(OC)=O	10568
+c1cc(ccc1S(=O)(=O)Nc2nccs2)-c3nc4c(cccc4)[nH]3	10569
+c1cc(ccc1-c2nc(co2)C(OCC)=O)Cn3cnc4ccccc34	1947
+c1ccccc1C2=CCN(CC(=O)Nc3cc4c(-c5nc(O)c6c(cccc6)c5C4)cc3)CC2	10570
+c12c(-c3c(cccc3)C1)ccc(c2)CCC(O)C	100
+c1c2c(CCN2)c(Br)cc1	931
+c1c2cnc(Cl)nc2c(Br)cc1	10571
+c1ccccc1CC=2C(N3CCSC3=NC=2C(CC)N)=O	1764
+C1(c2c(C(=O)N1C(c3cc4c(nc3-c5sc(C)nn5)c(ccc4)Cl)C)cccc2)=O	10572
+c1cc(ccc1)C2C(N)CCC2	45
+CC(C)(c1ccccc1)C(NC(=O)c2csc(-c3n(ncc3)C)c2)CN	45
+c1ccc2c(c1)C(=O)N(C2=O)CC3NCCCC3C	62
+c12c(C(=O)N(C1=O)CC=CCCCC(O)=O)cccc2	4
+C(C=CCCCC(=O)O)N	1764
+O1CCOC1(CCCCCCN)C	45
+c12c(C(=O)N(C1=O)CCCCCCCCCCCCP(O)(O)=O)cccc2	228
+c12c(C(=O)N(C1=O)CCCCCCCCCCCCP(OCC)(=O)O)cccc2	228
+C(CCc1cc2c(cccc2)nc1)CCCN	45
+c1cc(ccc1-n2cnnn2)OCCCCN	45
+c1cc(ccc1N)OCCCCN2C(c3c(C2=O)cccc3)=O	0
+c1(F)cc(cc(F)c1)OCCN(CCCN)C	45
+C1(c2c(C(=O)N1CCCN(S(=O)(=O)c3ccc(cc3)C)CC(F)(F)CCN4C(c5c(C4=O)cccc5)=O)cccc2)=O	896
+c1cc(ccc1F)Cc2cnc3c(N(CCN)C(=O)C(C(=O)NCCOCC)=C3O)c2	45
+C(c1ccc2ncccc2c1)n3nnc4c3nc(C(=NOCCN)C)cn4	45
+CC(C)(Cn1c2c(nc1CN)cnc3cccnc23)O	45
+c12c(C(=O)N(C1=O)c3c(cc(Cl)c(N)c3)F)cccc2	0
+c12c(cccc1F)n(Cc3c(F)cc(-c4cnn(C)c4)cc3)cc2C(OC)=O	962
+C(Sc1c(ccc(F)c1)F)CN2CC(CC(=O)OC)C(CC2)CCC(=O)c3c4c(ccc(OC)c4)ncc3F	155
+c1ccccc1COc2nc(cc(OC)c2CN3C(=O)c4c(Cl)c(cc(Cl)c4CC3)Br)C	4354
+n1c(c(ccc1NCc2c(Cl)cccc2)Cc3c[nH]c4c3cccn4)F	10573
+C1CC(CCN1C)c2c[nH]c3c(C)cc(cc23)OC	671
+c12c(C)ccc(N)c1[nH]cc2C#N	13
+CC(C)c1c(ccc(C(=O)n2ccc3c([N+]([O-])=O)ccc(C)c23)c1)OCc4ccccc4	10574
+C12=C(C(C(=C(OC)C1=O)OC)=O)CC(C2)(C(NC)=O)CCCCCCCCO	1450
+c12c(CC(C1)C3NC(=O)C(N(C3=O)Cc4ccccc4C=O)C(CC)CC)cccc2	39
+c12c(CC(C1)C3NC(C(C(CC)CC)N(C3=O)Cc4ccccc4N)=O)cccc2	0
+C(C(=O)O)CC1CCc2c(C1)nc3c(CCCN3)c2	3
+c12cccc(OC)c1occ2CCO	44
+c12cc(c(I)cc1CCC2)CO	41
+c1(cccc(F)c1)N2C(c3c(cc4c(CCC4)c3)C2=O)O	5025
+c12c(CCC1)cc3c(C(=O)N(C3=O)c4cccc(F)c4)c2	668
+c1c2c(N(CC2)c3c4c(CCC4)nc(-c5ccc(s5)Cl)n3)cc(c1)O	860
+c12c(CCC1Cc3nc[nH]c3)cc(c(CO)c2)O	41
+c12c(CCC1Cc3nc[nH]c3)cc(c(c2)C=O)O	5
+c1cc(ccc1N(C)C(C2c3ccccc3CCC2)=O)OC	3194
+Nc1cccc2nc(CN(C)C3c4c(CCC3)cccn4)[nH]c12	13
+Clc1c2c(cc3CCN(CCc13)C(OCC)=O)CCC(N2)=O	10575
+[N+](c1cc(Br)c2[nH]ccc2c1)([O-])=O	1452
+c12CCc3ccccc3C(c1cccc2)C(C(=O)OCC)C(=O)O	3
+c1ccccc1CCCC(C(C)O)C(NC(c2c(nc(nn2)Cc3c4ccccc4ccc3)O)C)=O	9
+c1cc(ccc1OC)COc2c3ccc(c(Cl)c3nc(Cl)c2)OC	260
+c1cc(ccc1C(C)(C)c2c[nH]c3cccc(Cl)c23)OC	1263
+Nc1cc2c3c(Cl)ccnc3[nH]c2cc1	0
+N(C)c1cc2c3c(Cl)ccnc3[nH]c2cc1	695
+c12ccc(C)c(c1cnnc2Nc3cccc(C(=O)C)c3)I	1443
+C1(Cc2cccc(F)c2N1CCF)=O	1562
+c12cccc(F)c1NCC2	931
+c12nc(NC(=O)CN3C(N(c4c3cccc4)c5ccccn5)=O)ccc1CC6(c7cccnc7NC6=O)C2	142
+c1cc(ncc1Br)C(Nc2c3c[nH]nc3cc(-c4c5cc[nH]c5ccc4)c2)=O	187
+c1cc(ccc1)-n2ncc3c(cc(cc23)C)N	2993
+C(CC1c2c(NC(=O)C1)cccc2)OC	21
+c12c(O)c(C#N)cnc1cc(c(OC)c2)F	1014
+c12c(OC)ccnc1c(N)c(Cl)cc2	13
+c12OCC(Cc1c(ccc2)O)C	241
+C(COc1ccc2cccnc2c1)CNCC3Oc4cc(ccc4OC3)OC	132
+c1cc(ccc1S(=O)(=O)OCC2COc3ccc(cc3O2)OC)C	36
+c1c2c(OCCO2)cc(C(c3c(ccc(I)c3)Br)=O)c1	222
+c1(cc(c(cc1)Cl)C(c2cc3c(cc2)OCCO3)=O)I	222
+c1cc(ccc1-c2cn(CC)c3cccc([N+](=O)[O-])c23)C	550
+N1(CCc2ccc(-c3cn(c4nccc(N)c34)C)cc12)C	0
+Nc1cc(ccc1O)Oc2c3c([nH]cc3)ncc2	0
+c12c([nH]cn1)cc(N)cc2C(=O)OC	0
+c12c3c(OCC3)ccc1c(c[nH]2)CC	1283
+c12c(c(C)cc(N)c1)ncc(Cl)c2	0
+c12c(c(C)cc(c1)Br)ncc(c2)F	10576
+c12c(c(CC(N)CO)c[nH]1)nccc2	524
+c1cc(ccc1-c2c3c(nc(C#N)c2)cc(cc3)C)F	699
+c1(c(c2[nH]ccc2cc1Br)C(=O)O)F	1452
+c12c(cccc1I)c(ccn2)O	1220
+c1c(c(ccc1)Nc2[nH]c3c(O)cc(cc3n2)C#N)Br	390
+c1c(c(c2c(c1)C3=CC(=O)CCC3(CCCC)C2)C)OC	2992
+c1c(c(c2CC3(CCCC)CCC(C(=C3c2c1)C)=O)Cl)OC	10577
+C1N2C(CN(CCc3cc(OC)c(cc3)C#N)C1)COC(c4c(c5COC(c5cc4)=O)C)C2	61
+c12c(Cl)ccc(N)c1nccc2	13
+c12c(O)c(cnc1cc(c(OC)c2)F)C(=O)O	6
+c1(C)c(N)cc2c(c(ncc2)O)c1	106
+c1cc(ccc1OC)CN2C(=O)c3c(cc(cc3)F)C=C2	5022
+c12c(c(ncn1)Nc3cc(N)cc(OC)c3)scc2	0
+c1cc(ccc1O)Sc2c3c(Br)cccc3nc4c2cccc4	5026
+c1cc(ccc1Cn2cc3c(c(nc4ccccc34)O)n2)OC	10578
+c1cc(ccc1)-c2c3c(ccc([N+](=O)[O-])c3)[nH]c2	550
+c1cc(ccc1-n2c3ncnc(Cl)c3c(c2)Br)C	5005
+c12c(cc(-c3cc(ccc3C)F)cc1)cnc(c2)Nc4nc(ccc4)OC	834
+c12c(cc(-c3cc(ccc3C)F)cc1)cnc(c2)Nc4nc(O)ccc4	104
+c12c(cc(C(NCc3cnccc3)=O)cc1)ncn2-c4cc(ccc4)NC(C)=O	14
+c12c(cc(cc1sc(Br)n2)CO)F	49
+c1cc(ccc1C(=O)Nc2ccc(c(c2)CNc3cnc4[nH]c(C(=O)OC)cc4c3)C)CN5CCN(CC5)C	3118
+c12c(cc(C(=O)OC)[nH]1)cc(N)cn2	13
+c12c(cc(C(=O)OC)[nH]1)cc(CN)cn2	388
+c12c(cc(C(NCc3cnccc3)=O)cc1)ncn2-c4cccc(N)c4	106
+c12c(cc(cn1)CO)nc(s2)-c3c([N+]([O-])=O)cccc3	88
+Clc1c(Cl)cc2c(c1)OCC(=O)N2CC(=O)O	3
+N(C(NC1C(CN(C)C2CCc3c(C2)ccc(F)c3)CCCC1)=O)c4cc(-c5n(C)nnn5)cc(c4)CC	238
+c12c(cc(N)cc1)N(C(=O)O2)C	0
+c1ccccc1CC(C(OCC)=O)NC(Cn2c3c(cc2)cc(cc3)[N+](=O)[O-])=O	188
+c12c(cc([N+]([O-])=O)cc1)ccn2CC(=O)O	4
+Nc1cc2c(nc(o2)C)c(c1)O	0
+c1(C)c(N)cc2c(c1)OC(C3=C2CCNC3)=O	0
+c1cc(ccc1F)-c2cc3OCOc3cc2Br	11
+c1cc(ccc1NCc2ccc3cc(O)c(C(O)=O)cc3c2)C(C)C	208
+c1cc(ccc1)C(COC(c2c(cc3c(c2)cc(C(=O)OC)cc3)O)=O)=O	10579
+n1(ccnc1)-c2cccc(-n3c4ccc(cc4nc3)C=NOC)c2	10580
+c12c(cc(C=O)cc1)ncn2-c3cccc(c3)Br	39
+c12cc(cc(c1cccc2)CO)CCOC	98
+c12c(cc(C(=O)O)cc1sc(Br)n2)F	1
+c12c(F)cc(C=O)cc1sc(Br)n2	39
+c12c(cc(COC)cn1)nc(s2)-c3c([N+]([O-])=O)cccc3	382
+c1c2ccc(cc2cc(c1)C(O)=O)C(C)=O	1
+Nc1ccc(F)c2cccnc12	13
+c12c(ccc(N)c1OC)CCC2=CCN	3642
+Nc1ccc2c(C(CCNC(C)=O)CC2)c1OC	191
+c12c(ccc(c1)O)CCC2CCNC(C)=O	5
+C(c1c(ccc2cc(OC)ccc12)O)C=C	423
+c1(C=O)cc2c(cc1)cco2	1766
+c1cc(ccc1[N+]([O-])=O)Cc2cn(C)c3ccc(C(=O)OC)cc23	10581
+c1c(ccc2-c3c(cccc3)Cc12)C	3072
+C(C(C)=O)=Cc1cc2c(cc1)-c3c(cccc3)C2	10582
+Fc1cc(cc(F)c1)-c2c(CC)nc3c(cc(cc3)F)c2O	796
+c12c(nc(c(c1)C(C)N)-c3ncccc3)cccc2Cl	45
+c1cc(ccc1CCO)C=CN2C(=O)c3ccccc3C2=O	5027
+C1(c2ccccc2C(=O)N1CCCOc3cc4ccc(O)nc4cc3)=O	8
+O=C1c2c(cccc2)C(=O)N1CCCN3CCN(CC3)Cc4ccccc4	28
+c1cnccc1OCCCN2C(c3ccccc3C2=O)=O	8
+c12c(C(=O)N(C1=O)CCCCOc3ccc(cc3)[N+]([O-])=O)cccc2	8
+c1ccccc1C(c2ccccc2)N(C)CCN(CCCCN3C(=O)c4ccccc4C3=O)C	28
+c12c(cccc1)C(=O)N(C2=O)CCCCC(c3occc3)O	3627
+c12c(C(=O)N(C1=O)CCCCCCC(=O)C)cccc2	1965
+c1cc(ccc1SC(C#N)(CCCCCN)c2ccc(OC)c(c2)OC)C	45
+O(c1c(C)cccc1)CCCCCCCCN	45
+c1(OCCCCCCCCN)cccc2ccccc12	45
+c12c(cccc1)C(=O)N(C2=O)CCCCC=O	24
+CCn1c(c2c3ccccc3nc(N)c2n1)CCCCN	45
+CN(C)C(=S)Oc1ccc(cc1)CCCCN	45
+c1c2c(oc1CCCCN)cc(cc2)C(=O)OCC	45
+O=S(=O)(c1c([N+]([O-])=O)cccc1)N(CCCN)C(C)C	45
+C(N)CCSc1ncco1	45
+c12c(C(=O)N(C1=O)CCN3c4cc(cnc4C(=C(C(=O)OCC)C3=O)O)Cc5ccc(cc5)F)cccc2	3380
+C(CN(Cc1nc2c(cc1)cccc2)C)N	45
+c1c(C)nc(CCN)cc1	45
+c1cc(ccc1)COC(N2CC(C(CC)C2)Nc3c(cnn4c3cc(-c5cnc(CN)cc5)c4)C(=O)N)=O	45
+c1(cc(CN)no1)-c2cccnc2	45
+O=S(=O)(c1cccc2cnccc12)Oc3cc(C)cc(c3)OCCCON	670
+N(c1cc([nH]n1)-c2cc(ccc2)OC)C=C3c4ccccc4NC3=O	4604
+c1cccc2c1C=Cc3ccccc3C2O	488
+c12c(cccc1)CC(C(O)=O)C(N2)=O	4
+c12c(cccc1)CC3OCC(N(CC(O)=O)C23)=O	3
+c12c(cccc1)Sc3c(cccc3)C2=CC(NCCCCCC(=O)Nc4c(cccc4)N)=O	33
+c12c(cccc1)Sc3c(cccc3)C2=CC(NCCCCCC(=O)O)=O	4
+c12ccccc1c(CC(=O)O)nn2Cc3ccc(nc3)NC(c4cc5ccccc5cc4)=O	3
+c12ccccc1c3c(cccc3)n2CC(O)CNCc4ccco4	122
+C1Oc2c(C1=O)c3c(cccc3)cc2	214
+O=C1c2c(C(=O)N1CCOc3cc4c(cc3)cccc4)cccc2	332
+c1cc(ccc1NC(NCC2OCCN(Cc3cccc4c3cccc4)C2)=O)Cl	171
+c12c(n(CCO)c(N3CCCNCC3)n1)cccc2	665
+c12c(cccc1)n(c(N3CCCNCC3)n2)CCOCC	215
+c1cc(c(cc1CN2C(CCNc3nc4c(c(O)c3)cccc4)CC=CC2)Cl)Cl	554
+c1(Cl)c2c(N(C(C2)=O)C)ccc1	1562
+O=C(O)c1c2c(cccc2F)n(Cc3c(F)cc(-c4cnn(C)c4)cc3)c1	1
+c1cc(ccc1C)S(=O)(=O)OCCOCC(c2ccc3sccc3c2)O	36
+c1cc(ccc1C#N)-c2ccc3c(cnc(CCN4C(C)CCC4)c3)c2	11
+c1cc(ccc1C)S(=O)(=O)OCCc2cc3c(cn2)cc(cc3)Br	36
+c12c(cnc(c1cccc2C)O)C(=O)O	104
+c12c(cncc1)ncn2-c3ncccc3	10583
+c1ccccc1CN2CCc3c(C2)ncn3-c4ncccc4	10584
+c12c(cncc1F)sc(-c3c(N)cccc3Cl)n2	0
+[nH]1c2c(c(c1)-c3cc(ccc3)C#N)c(ncn2)Cl	10585
+c1ccccc1C(Nc2c3cccc(F)c3n[nH]2)=O	330
+c1(nc(SC)nc(Cl)c1C#N)NC(C)c2nc3c(cc2-c4ccnn4C)n(cc3)C	40
+c1c2c(oc(n2)CC)cc3c1CCN(CC3)CCCSc4nnc(n4C)-c5c6ccc(C)nc6ccc5	53
+c1cc(ccc1-c2ccccc2-c3[nH]nnn3)CNc4nc(nc5c4CCCC5)C	40
+c12c(nc(C=Cc3ccc4OCc5c(cccc5)C(O)c4c3)cc1)cc(Cl)c(F)c2	488
+c1(c2c(CCC2C)ncn1)O	10586
+c1cc(ccc1)Oc2ccc(CNC(=O)c3c(nc4CCCc4c3)N)s2	56
+c12c(nc(c(c1)C(=O)O)N)CCC2	6
+c1ccccc1C(O)CNc2nc(nc3sc(cc23)C)C	1108
+CCCNc1nc2c(nc(CN)nc2NC)c(n1)NC	10587
+c1cc(CNc2c3cc(C#N)ccc3nc4CN(C(=O)c24)CC)cc(Cl)c1OC	105
+c12cccc(CO)c1nc[nH]2	295
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc5c(c(ccc45)Br)C	10588
+c1cc(ccc1)OC(=O)Nc2cc3CCCc3nc2	950
+c12c(ncc(N)c1)CCC2	13
+c12c(c(N)c[nH]1)nccc2	193
+c1c2c(N(c3c(nccn3)S2)COC)cc(CO)c1	98
+[nH]1c2c(ncc(-c3cccc(Nc4ncnc5ccccc45)c3C)c2c6ccc(OCCOC)cc16)C(N)=O	73
+c1ccccc1C=2c3c(cccc3)C(=O)OC=2C(C)n4ncc5c(N)ncnc45	10589
+c1cc(ccc1C(N2C(=O)CC(C(Oc3nc(cc4nn(C)cc34)Cl)C)C2)C)OC	10590
+C(C(OCC)=O)n1nc(C#N)c2c1C(C3C2C3)OCOC	331
+c1cc(ccn1)C(NC(C(C)(C)Cc2ccccc2)n3nnc4ccccc34)=O	5028
+c1cc(ccc1)C(=O)NC(n2c3c(cccc3)nn2)C(C)(C)Cc4ccccc4	5028
+c12c(nnc(c1c(N)ccc2)O)Cc3ccc(F)c(Br)c3	0
+C(C)OC(N1CCc2c(ccc3CCC(=O)c23)CC1)=O	1762
+C1(C)Cc2c3c(c(N)c(c2F)F)C(C(=CN13)C(=O)O)=O	0
+c1ccc2CCN3CCCc1c23	10591
+c1c2c3ccc(cc3n(c2cc(c1)OC)-c4ccccc4OC)OC	2246
+c1c2C(N(C(c3cccc(cc1N)c23)=O)CCCC(=O)O)=O	0
+C(CCCO)n1c2c3c(cccc3)ncc2nc1CCC	237
+C1(C(C)=O)CCSc2[nH]c3c(c12)cccc3	86
+c1ccc2c(c1)c3ccccc3c4cnc(O)cc24	104
+c1cc(ccc1)-c2nc(nc(Cl)c2)-n3c4c(cccc4)c5ccccc35	198
+c1ccccc1COc2c3c([nH]nc3)ccc2	22
+c1cc(ccc1Oc2c3cc(c(OCCOC)cc3ncc2)C#N)[N+]([O-])=O	242
+c1c2[nH]c(cc2ccc1Oc3nc4c(s3)cccc4)C(OC)=O	1523
+O=CC1=C(c2cc(C)ccc2N(C1=O)CCCCCC)OC	10592
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(OC)cc4C	2829
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(cc4C)O	5
+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(C(=O)O)cc4C	1
+c1cc(ccc1OCC2CCN(CC2)C(=O)C=Cc3cnc4c(CC(C(OC)=O)C(=O)N4)c3)F	404
+c1c2c(ccc1)oc3ccc(cc23)-n4c5ccc(cc5c6ccccc46)Br	2246
+c1ccccc1COc2c(NC(C)=O)cc3ccccc3c2	22
+c1(c(nc2cc(OC)c(OC)cc2c1)Cl)C#N	1453
+c12C(CCc1cc(CCCCCC)c(c2)O)=O	5
+c1cc(ccc1Oc2ccnc3cc(OC)cc(c23)OC)[N+](=O)[O-]	242
+c1(cc2c(c(c1)O)nccc2)OC	390
+c1(ccc2c(-c3[nH]c4ccccc4c3C2)c1)OC	1150
+c12cc(ccc1[nH]cc2C(=O)c3cccc4ccccc34)OC	787
+c1ccccc1CN2C(C(CC2=O)c3c[nH]c4ccc(OCC#C)cc34)=O	10593
+c12cc(OCCCC(=O)O)c(cc1CCC2=O)CCCCCC	3
+c1cc(Oc2ccnc(n2)N)cc3CCNc13	931
+c12cc(Oc3ccnc(n3)N)ccc1[nH]cc2	511
+O=C(n1ccc2cc(Oc3ncnc(N)c3)ccc12)NC	2121
+c12C(Cc1ccc(N)c2)=O	0
+c12cc(N)ccc1CCCCN2C(=O)C	0
+c12cc(N)ccc1CCCN2C(=O)C	0
+c1c(C#N)nc2c(c1)cc([N+]([O-])=O)cc2	10594
+c1cc(cc(C)c1Oc2cnc(C)cc2)Nc3ncnc4cc([nH]c34)-c5occc5	1190
+c1cc(ccc1S(=O)(=O)NC(C(C)C)C(=O)OC)-c2ccc(cc2)COc3c(cc4ccccc4n3)C	1155
+c1ccccc1NC(Cc2n[nH]c(Nc3c4c(cc(OC)cc4OCCCl)ncn3)c2)=O	33
+O=Cc1c2c(cc(CCOC)c1)cccc2	39
+c1ccccc1COc2cc3c(CCC3=O)cc2	22
+c1cc2c(cc1F)C(O)CCC2	74
+c1cc(N)c(NC(CCCCCNC(c2cccc(C=C3c4c(NC3=O)ccc(c4)F)c2)=O)=O)cc1	33
+c12cc(ccc1NC(=O)C2=Cc3cccc(C(NCCCCCC(=O)O)=O)c3)F	4
+C(c1cc2c(OC(C)C(=O)N2)cc1)(=O)O	1
+c1ccccc1S(=O)(=O)n2c3c(cc(OCC=C)cc3)cc2	367
+c1(C=O)cc2c(cc1)c3c(c(N)n2)ncc(c3)CCc4ccc(OC)cc4C	39
+c12cc(ccc1c3c(c(N)n2)nccc3)CO	98
+c12cc(CC)ccc1c3c(c(N)n2)nccc3	1393
+c1(C=O)cc2c(cc1)c3c(c(N)n2)nccc3	39
+c1cc(ccc1F)-c2cc(F)cc3cc(C(=O)N)n(C)c23	1009
+c12cc(n(c1c(cc(c2)F)Br)C)C(=O)O	6
+c1cc(ccc1-c2cc(C)ncc2)CNc3nccc4cc(Cl)ncc34	4054
+c12cc(sc1c(Cl)c(Cl)c(OCC(=O)O)c2)C(O)C	3
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4	73
+c1cc(ccc1N2C=CC=CC2=O)-n3cc(CNC(c4ccc5c(cc[nH]5)c4)=O)nc3	14
+c1cc(ccc1)-c2noc(c2-c3oc(nn3)-c4ccc5c(cc[nH]5)c4)C	2226
+c1cc(ccc1-c2c(Br)cccc2)Cn3ccc4cc(ccc34)C	4194
+c1cc(ccc1)NC(n2ccc3cc([N+](=O)[O-])ccc23)=O	10595
+c1cc(ccn1)CCc2c[nH]c3c2cc([N+](=O)[O-])cc3	10596
+c1cc(ccc1C)S(=O)(=O)n2c3c(cc(cc3)F)cc2	367
+n1c(c2c(n[nH]c2)nc1)-c3cccnc3Nc4c5c(ccc4C)c(Cl)ncc5	3147
+c12ccc(C)c(N)c1ccnc2Cl	0
+c1cc(ccc1C(Nc2nccc3c2ccc(C)c3[N+]([O-])=O)C)Cl	70
+c1ccccc1Cn2c3ccc(nc3cc2C#N)Cl	5029
+c12c3ccccc3nc(Nc4cc5c(c[nH]n5)cc4)c1[nH]nc2	10597
+Nc1cc2ccc(O)nc2cc1	0
+c1cc(ccc1)OC(N2CCC34C(C2Cc5c3cc(OC(C)=O)cc5)CCOC4)=O	1142
+c1cc2CC(Cc2cc1OC)C(OC)=O	4378
+c12ccc(OCC)cc1cc(OC(C(=O)O)CC)cc2	4
+c12cc(ccc1oc(C=O)c2)-c3noc(-c4ccc(c(OCC)c4)OCC)n3	2180
+c12cc(ccc1cc(CO)cc2)C	49
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3cc4[nH]ncc4cc3	1505
+C(c1ccc2c(c(ccc2)O)n1)N	2880
+C(c1ccc2c(ccc(n2)C)c1)N	107
+Nc1cc2ccc(nc2cc1)C	0
+c12ccc(nc1ccc(C#N)c2)C	274
+c1cc(ccc1Cl)-c2c3c4c5c(ccc4cc2)cccc5cc3	11
+c1cc(ccc1)Cn2c3c(c4c2cccc4C(OC)=O)C(=O)CCC3	190
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)C=O	39
+C1Cc2c(NC1)c(ccc2)O	1352
+c1cc(ccc1-n2c3cccc(c3nc2)[N+]([O-])=O)C#N	5009
+COc1c2CNCc2ccc1	162
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CC[N+](=O)[O-]	364
+c12cccc(c1c3c(cnc(c3C)C(=O)OCC)[nH]2)CCN	157
+Nc1cccc2c(cccc12)CC(O)=O	0
+c12ccccc1-c3c(cccc3)C2COC(=O)NC(COS(=O)(=O)c4ccc(cc4)C)(C(OC)=O)C	36
+c1(cc2c(cc1)-c3ccccc3C2CO)C	21
+c1cc(ccc1)C2(C(=O)Nc3ccccc23)O	4556
+c1cc(ccc1-c2ccc(cc2)-c3c(c(C)no3)CC(NC4c5ccccc5CC4O)=O)C6(CC6)C(=O)OCC	9
+c1c2c(C(Nc3nc(cnc3CC)CC)C(O)C2)ccc1	464
+c1ccccc1C#Cc2cc(c(N3C(C)=Nc4ccccc4C3=O)cc2)C	2103
+c12c(cccc1)C3(c4c(cccc4)C2C3)CN5CCC(CC5)(c6cccnc6F)O	10598
+C12CC(=O)C(CC1)c3ccccc23	86
+c1ccc2CCc3ccccc3C(c2c1)CCO	21
+C1Oc2cc(NC(CCNCC3COc4ccccc4O3)=O)ccc2O1	4844
+c1ccccc1CNC(=O)C2(c3c(cccc3)Oc4ccccc24)C	9
+c1cc(ccc1)S(=O)(=O)N2CC(c3cn4c5c(cccc35)CCC4)C(c6c[nH]c7c6cccc7)C2	92
+c1cc(ccc1)C(=O)N(C)C(CCNC(=O)c2ccnc3ccccc23)Cc4ccccc4	14
+O(CCO)CCc1cccc2ccccc12	21
+c1cc(ccc1F)C(=O)c2nc3c(c(Cl)n2)cccc3	2329
+C1CNc2c(C1)ncc3ccccc23	15
+Cc1[nH]c2ccccc2c1C(c3cccc4ccccc34)=O	787
+c1c2c(CNC)c3n(c2ccc1)CCC3	10599
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(CCC(OC)=O)n2)Cl)OC	1108
+c12cc3c(cc1nc(cc2)CO)CC4(c5cccnc5NC4=O)C3	453
+C(OCCOCC)Cn1ccc2c3c(C(NC3=O)=O)c(cc12)-c4ccccc4Cl	3633
+c1cc(ccc1)COCN2C(=O)C(C)=C(c3ccc(cc3C)Oc4ncnc5ccsc45)N(C)C2=O	10600
+c12cnc(C#N)cc1c3c([nH]2)ncc(c3)Br	331
+c12cnc(CO)cc1c3c([nH]2)ncc(c3)Br	629
+c12cnc(cc1c3c([nH]2)ncc(c3)Br)C(=O)O	1
+c1c2c(cnc1O)[nH]c3c2cc(cn3)F	104
+c12cc(ncc1cccc2)C(C)O	1394
+c12cnc(cc1n(CC)cc2Br)C(=O)O	1
+c1cc(ccc1C(NC(Cn2c3c(c(ccc3nc2)F)Cl)=O)C)C(C)(C)C#N	2458
+c1cc(ccc1CC(OC)=O)CNCCCn2c3c4ccccc4nc(N)c3nc2CCCC	42
+c1cc(ccc1)C#CCOCCn2c(CCOC)nc3cnc4c(cccc4)c23	121
+n1(Cc2c3c(cccc3)ccc2)c(C(=O)OCC)c(CN)c4cc(F)ccc14	5003
+c1c(I)cc(c(Nc2c(C(=O)OC)ccc3cncn23)c1)F	3783
+C1(NC(=O)c2c1c(cc3n(c(CO)cc23)CCCOC)-c4ccccc4Cl)=O	453
+c1ccccc1-c2c3nc(C(=O)OCC)cn3cc(c2)Br	1805
+c1ccccc1C=C2CCCc3c2nc(c(c3)C(=O)OCC)C	10601
+c1(C)nc2c(cc(cc2N)Br)n1C	13
+C(C)(c1cc2c(nc1Cl)c(F)ccc2)O	652
+c1(c(O)nc2c(cc(OC)c(OC)c2)c1)C(O)=O	1
+C1COCCN1c2ccc(cc2)Nc3nc4c(c(n[nH]4)SC)c(n3)OCC	55
+c1ccccc1COC(NCC2CN(CCC2)CCN3c4cc(OC)cnc4C=CC3=O)=O	61
+c1cc(ccc1)C(N2c3cc(I)cnc3NCC2)=O	4593
+c12ccccc1cc(cn2)CO	269
+n1(c2ncccc2nc1)Cc3ccc4nc(SC)sc4c3	5023
+s1c2cc(ccc2cc1CO)Oc3sc4c(nccc4)n3	10602
+c12nn(C)cc1c(ccc2)C3C(C=O)C3	24
+c12nn(C)cc1c(ccc2)C3C(CN)C3	10603
+c12nnc3CCCCc3c1c(N)c(C(O)=O)s2	1
+c1ccccc1-n2nncc2COc3c4c(cc(OC)c3)oc(-c5cn6c(n5)sc(n6)OC)c4	10604
+c1cc(ccc1)COc2cc(ccc2)COc3c4c(oc(-c5cn6c(n5)sc(n6)OC)c4)cc(OC)c3	657
+c1cc(ccc1)-c2scc(n2)COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC	1963
+c1nc(ncc1)-c2cccc(COc3c4c(oc(-c5cn6c(n5)sc(n6)OC)c4)cc(OC)c3)c2	657
+c1ccccc1CC(NC(=O)Cc2c3c(ccc(O)c3)[nH]c2)c4n(Cc5ccccc5OC)ccn4	9
+C(OCCCc1c[nH]c2c1c(C)c(cc2)[N+]([O-])=O)C	21
+c1[nH]c2c(c1CCCO)cc([N+]([O-])=O)cc2	44
+c1[nH]c2c(c1CCCO)c(c(N)cc2)C	0
+c1cc(ccc1C)S(=O)(=O)OCCCc2c[nH]c3ccc(cc23)F	36
+c1[nH]c2c(c1CCNC(C)=O)cc(N)cc2	0
+c1[nH]c2c(cc(C#N)cc2)c1CC(=O)O	4
+c1cc(ccc1C)S(=O)(=O)OCCCCc2c3c(ccc(C#N)c3)[nH]c2	36
+c1[nH]c2c(c1CN(C)C=O)ccc(C)c2	10605
+c1ccccc1COC(c2c3c([nH]c2)cccc3)=O	470
+C1(c2c[nH]c3c2cccc3)(CCc4cc(ccc14)F)CC	1263
+c1ccc(C(c2c3ccccc3[nH]c2)=O)cc1[N+]([O-])=O	787
+c1cc(ccc1-n2ccc3ccccc23)OC	2787
+c1cc(ccc1C(c2c[nH]c3c2cccc3)=O)OC	787
+c1cc(ccc1)-c2nc3c(c(-n4ccc5ccccc45)c2)cccc3	5004
+c1c2c(-c3ccnc(n3)Cl)c[nH]c2ccc1	4678
+c1[nH]c2cnc(cc2c1CCC(=O)O)-n3ncnc3	3
+c1[nH]cc(c1-c2c(c(Cl)ccc2)Cl)C(N)=S	2547
+c1n(cc(-c2ccccc2Cl)c1C(=O)O)-c3ccnc(Cl)c3	6
+n1sc(c(C(=O)O)c1-c2cc(C)ccc2)C(=O)OC	1
+c1c(-c2cc(CO)ccc2)csc1	59
+c1c(-c2cc(F)c(cc2)C#N)nc(N)nc1N3CC(C(=O)Nc4cccc(c4)F)CCC3	33
+n1coc(-c2cc(cc(-c3ocnc3)c2)N)c1	0
+c1c(-c2cc3nc(C)c(C(=O)C(OC)=O)c(Cl)n3n2)cc4CCCCc4c1	10606
+c1c(-c2cc3n(c(Cl)c(c(C)n3)C(O)C(=O)OC)n2)cc4CCCCc4c1	10607
+c1c(-c2cc3n(c(Cl)c(c(C)n3)C(O)C(=O)OC)n2)cc4CCCCc4c1	4612
+C1CCNCC1c2cc(C)c(cc2C)N	1446
+c1c(-c2cncc(c2C(O)=O)Nc3ccc(I)cc3F)c(ccc1)Cl	1
+c1(-c2ccc(c(OCC)c2)OCC)onc(n1)-c3c4CCNc4ccc3	931
+c1cc(C(=O)OC)cc2OCC(NCc12)C	2983
+c1cc(Cl)c(Br)cc1CO	217
+C1CN(CCC1(C#Cc2ccc(F)c(C#N)c2F)O)C(=O)Cc3ccc(cc3)-n4nnnc4	197
+c1cc(ccc1)Oc2c(cc(cc2)C#N)Br	46
+C(C)c1ccc(F)c(Br)c1	165
+c1c(C(=O)O)cc(F)c(OC)c1Br	1
+C(C)N(CC)C(=O)c1ccc(cc1)C(O)c2ccccc2OC	257
+c1c(Br)c(Oc2cc(ccc2N)C#N)ccc1	0
+c1ccccc1CSc2cccc(c2C)Br	607
+c1c(Br)c(c(cc1-c2nc(C(OCC)=O)on2)Br)OCc3ccc(cc3)OC	139
+c1(cc(cc(Br)c1Oc2cc(c(c(c2)C=Cc3ccccc3)O)C(C)C)CC(O)C(OC)=O)Br	914
+c1c(Br)c(c(cc1CC(O)C(OC)=O)Br)Oc2cc(C(C)C)c(c(I)c2)O	5
+c1ccccc1CSc2c(OC)c(cc(F)c2)Br	607
+O(c1cc2N(c3c(Cl)cccc3)C(=O)CCc2c(c1)Br)C	2331
+c1c(Br)c(cc(O)c1F)CC(=O)O	5
+c1(Br)ccc(c(N)c1)NC(CCCCCCC(=O)OC)=O	0
+Brc1cc(cc(Br)c1)NC(=S)NC(=O)c2ccccc2	865
+c1c(Br)cc2CC(N)COc2c1	157
+c1c(Br)cc2CCC(N)Cc2c1	733
+c1cc(ccc1C#N)-c2ccc3c(CCC(C3)=O)c2	11
+c1c(Br)cc2CCCNCc2c1	15
+c1ccccc1COC(NC2Cc3c(cc(cc3)Br)CC2)=O	101
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(C(c5ccc6cc(C(NC)=O)ccc6c5)O)nc4	5030
+c1cc(ccc1S(=O)(=O)n2cnc(c2)C(O)c3cc4ccc(C(NC)=O)cc4cc3)C	5030
+c1c(Br)ccc2cc(C#N)ccc12	274
+c1cc(ccc1-c2cc3c(cc2)cc(OC)cc3)OC	10608
+C(=O)(O)C(Oc1ccc2ccc(cc2c1)Br)CC	4
+c1c(Br)nc(cc1)C(CCCC)=O	955
+c1cccn1-c2nc(ccc2)C(Nc3c(C(N)=O)nn(C)c3)=O	10609
+O=C1c2c(C(=O)N1CCC#Cc3cccc(n3)CF)cccc2	769
+c1cc(ccc1)C(NC(Nc2cccc(n2)Br)=S)=O	1780
+c1c(Br)nc(cc1NC(N)=S)Br	401
+Nc1sc2c(cc(nc2Br)Br)n1	3928
+c1cc(ccc1S(=O)(=O)c2cc(Br)nc(c2)Br)N	0
+c1cc(ccc1)C#Cc2cnc(cn2)Br	5031
+c1(cc(C#N)c(C)cc1N)O	0
+N#CC1CN(c2ncnc3cc(Cl)c(cc23)C#N)CCN1C(C=C)=O	143
+Nc1cc(C(=O)OC)c(cc1C#N)C	0
+c1cc(ccc1Cl)Oc2cc(C#N)ccc2	46
+C=1(C(=O)O)CCCC=1c2cc(ccc2)C#N	127
+c1cnccc1COc2cccc(c2)C#N	139
+c1c(C#N)nc2c(c1)cc(N)cc2	0
+c1cc(ccc1)COc2cc(cc(OCc3ccccc3)c2)C(=O)CC(=O)c4ccc(cc4O)O	10610
+c1(c2c(c(C)cc(c2)Br)nc(-c3cnccc3)n1)O	4845
+c1c(CO)c(c(cc1)O)C	49
+c1ccccc1COc2cccc(c2C)C(O)=O	22
+c1c(cc(cc1CO)Br)O	611
+c1(C(=O)O)cc(N)cc(N2CCCC2=O)c1	0
+c1ccccc1CNC(=O)c2ccc(C)c(NC(=O)c3cc4c(nc3O)cc(c(OC)c4)OC)c2	14
+Oc1c(cccc1)NC(c2ccc(C)c(c2)OC)=O	67
+c1c2c(nc(-c3ccc(O)c(c3)OC)o2)ccc1	1328
+c1(CO)cccc(-c2c3c(ccc2N)cccc3)c1	49
+O=C1Nc2nc(ccc2SC1)CO	629
+c1c(OC)c2ccsc2c(F)c1	1539
+c1c(C(=O)OC)c(c(c2n1c(cn2)CC)F)Nc3c(F)cc(C)cc3	10611
+S(C)CCCc1cc(CO)nc(c1)C(=O)OC	398
+c1cc(ccc1)OC(c2nnc(cc2)C(=O)OC)C	20
+c1c(C(=O)OC)nnc(O)c1	104
+c1c(C(=O)O)sc2c(F)ccc(OC)c12	1
+c1cc(ccc1)COc2cc(nc(c2)CO)C(=O)OCC	194
+c1c(C(=O)OC)nnc(C(C)O)c1	1394
+c1(ccc(N)c(N)c1)C(C)C(=O)OCC	0
+c1c(C(C2CC2C(=O)O)=O)cc(c3OCCCc13)Cl	4
+c1(O)c([N+]([O-])=O)cc(C(CBr)=O)cc1O	5
+c1(cccc(c1)F)C(=O)Nc2ccc(F)c(C(c3ccc4c(c3)nccn4)=O)c2	50
+c1cc(ccc1F)NC(=O)c2ccc(Br)nc2	971
+O(C(=O)CCCc1ccccc1NC(c2ccc(Cl)c(Br)c2)=O)C	50
+O(C)c1ccccc1NC(c2ccc(Cl)c(Br)c2)=O	50
+c1cc(ccc1)-c2cc3c(c(c2)Cl)[nH]c(C(NCc4sccc4)=O)c3	11
+c12c(cccc1)cccc2Cc3cc(ccc3OC)Br	452
+c1(Cl)cccc(Cl)c1NC(=S)Nc2c(cnc(c2)C(OC)=O)N	773
+C1(N)=C(c2cc(C)c(C)cc2N(C)C1=O)c3ccccc3Cl	10612
+c1c(C)c(c(cc1)C)-c2cc(COc3ccc4c(ccn4CC(=O)O)c3)ccc2	3
+c1c(C)c(c(cc1)C)-c2nc(O)c(c(C)n2)COc3c(C)ccc(c3)C(C)C	104
+c1c(C)c(c(cc1)C)-c2nc(COc3cc4CC5C(C5c4cn3)C(O)=O)c(F)cc2	3
+c1c(C)c(c(cc1)C)COc2cccc(C(C(=O)O)CC)c2	3
+c1c(C)c(c(cc1)C)COc2c(F)ccc(C(O)=O)c2	6
+c1c(C)c(c(cc1)C)COc2cccc(C(C(O)=O)C)c2	3
+c1cc(ccc1C(c2cc(C)c(c(c2)C)O)=O)[N+](=O)[O-]	222
+c1c(C)c(c(cc1)C)Oc2c(cc3nc(nc(c3c2)N)-n4ncc(C(=O)O)c4)F	6
+c1(C)cc(cc(C)c1O)-c2[nH]c3c(cccc3)c2C	5
+c1ccccc1COC(=O)c2ccc(cc2)-c3cc(C)c(c(c3)C)OCCO	470
+c1c(C)c(c(cc1-c2nc3c(cc(cc3)N)c(O)n2)C)O	0
+C(O)C(CO)COc1c(C)cc(cc1C)-c2nc(on2)-c3sc(C)c4C5C(Cc34)C5(C)C	1192
+Cc1cc(cc(C)c1O)-c2nc3cnc(nc3o2)Cl	5
+c1c(C)c(c(cc1Br)C)OCc2ccccc2	22
+Cc1cc(cc(C)c1OC)CO	98
+c1(cc(cc(C)c1OCC(=O)O)C(c2sccc2)=O)C	3
+c1cc(ccc1OP(c2ccccc2)(=O)C(c3c(cc(cc3C)C)C)=O)OC	10613
+Cc1cc(cc(C)c1C2=C(O)C3(CCN(CC3)OCC)NC2=O)C	997
+c1(cc(cc(C)c1N=C2N(C(N(C)C(=C2)c3ccc(O)c(OC)c3)=O)C)C)C	5
+c1c(C)c(c(cc1C)C)NC(Nc2cc(-c3cc(c(cc3)OC)F)ccc2C(NC(C(=O)O)C4CCCCC4)=O)=O	4
+Cc1cc(cc(C)c1Nc2sc3c(n2)cccc3CO)C	2705
+Cc1cc(cc(C)c1Oc2c(c(NC(CC)CC)cc(C)n2)N)C	13
+c1ccccc1-c2cc(C(=O)CCc3cc(C)c(c(C)c3)O)sc2C	5032
+c1cc(ccc1)-c2cc(C(=O)CCc3cc(C)c(c(C)c3)O)sc2CC	5032
+O=S(=O)(C)c1ccc2C(N(c3ccc(cc3)C(CC)C)C(=Nc2c1)c4cc(C)c(c(C)c4)OCCO)=O	10614
+CC(C)(C(=O)OC)Cc1cc(C)c(c(C)c1)-c2[nH]c3ccc(cc3n2)-c4oc(-c5ccccc5C)nn4	10615
+c1c(C)c(c(cc1CC(C)(C)C(=O)OC)C)C=O	494
+c1c(C)c(c(cc1CC(C)(C)C(=O)OC)C)-c2[nH]c3c(cc(cc3)C(O)=O)n2	622
+c1(cc(cc(C)c1Cc2ccc(c(c2)C(C)C)OCOC)C=O)C	39
+c1(C)cc(cc(C)c1-c2csc(n2)N)N	106
+Cc1cc(cc(C)c1C=O)OCc2ccccc2	22
+C1CCC(C1)CC(=O)Nc2c(C)cc(cc2C)N	0
+c1(cc(cc(C)c1NC(=O)OCCC)N)C	0
+c1cc(ccc1)C(=O)COc2ccc(cc2C)CC(N)=O	702
+c1(C=O)cc(C)c(cc1)[N+]([O-])=O	39
+C(=O)(CN1c2nccc(C)c2-n3c(ccc3)C1=O)O	4
+c1cc(ccc1S(=O)(=O)Nc2cc(cc([N+](=O)[O-])c2N)C)C	69
+c1cc(ccc1)C#Cc2c(N)c([N+](=O)[O-])cc(C)c2	129
+c1c(c2C(c3c(cccc3C)-c2cc1C)=O)C	358
+c1c(C)cc(cc1CC(N2CCC2(C)C(=O)O)=O)C	3
+c1(C)cc(cc(C)c1)CC(N2CCC2(C)C(N(Cc3ccc(cc3)C)C)=O)=O	10
+Cc1cc(cc(C)c1)-c2c(nc3cc(c(cc3c2O)[N+](=O)[O-])Cl)O	4781
+Cc1cc(cc(C)c1)Nc2c(c(ccc2)C#N)N	0
+c1c(C)cc(cc1OCC(C)N)C	733
+n1cc(cnc1C)C(NC(=O)c2cc(-c3ncc(C)cc3)cc(OC)c2)C	14
+c1c(C)ccc(-c2cc(OC)cc(C(=O)O)c2)n1	1
+c1c(C)ccc(-c2cc(cc(C(=O)O)c2)Br)n1	1
+c1cc(ccc1)-c2ccc(C)cn2	119
+c1cc(ccc1Cl)Oc2ncc(cc2)C	1237
+c1c(C)nc(-c2nn3c(c2-c4c5ccc(C(=O)O)cc5ncc4)CCC3)cc1	6
+c1c(C)nc(-c2nn3c(c2-c4cc5n(CCCO)cnc5cc4)CCC3)cc1	168
+c12c(cccc1)C(=O)N(C2=O)CCc3cccc(C)n3	332
+c1cc(ccc1F)C(Cc2nc(ccc2)Cl)=O	1501
+n1c(C)cccc1-c2cc(OCC)cc(C)n2	174
+n1c(C)cccc1-c2cc(OCCO)cc(C)n2	174
+c1ccccc1-c2cc(nc3cc(C)nn23)N	2057
+c1ccccc1CN2C(N(CC2)c3sc(c(n3)C)C(=O)NCc4ccc(C)o4)=O	454
+c1c(C)oc(c1)CNc2ccc3c(cccc3CO)n2	41
+c1c(C)oc(c1)CNc2ccc3c(cccc3CN)n2	107
+c1cc(ccc1C(NCc2c3c(nc(cc3)NCc4oc(C)cc4)ccc2)=O)F	93
+c1c2c(C(c3c(O)cc4c(CCO4)c3)C(N2CCCCC)=O)ccc1	462
+c1cc(ccc1OCc2cc(O)ccc2)CC(C#N)C(OC)=O	22
+c1c(c([N+]([O-])=O)c(F)cc1)CC(=O)O	4
+C1(Nc2cc(ccc2OC1)CC(OC)=O)=O	1290
+c1(ccccc1F)-c2c(cccc2)CC(=O)O	3
+c1ccccc1Oc2cccc(c2[N+](=O)[O-])CC(=O)OCC	415
+O=C(O)c1cccc(c1O)CC=2C(=O)C(OC)=C(C(=O)C=2C)OC	173
+c1c(CCC(=O)O)c2c(cc1)COB2O	3
+c1c(OCC)c(ccc1)-c2nc(O)c3nccc(CCC)c3n2	10616
+c1cc(ccc1C#Cc2cc(CCCC#N)c(F)cc2)OC(F)F	129
+Nc1c(cc(CO)cc1CCCC)F	98
+c1c(c([N+]([O-])=O)ccc1)CCN	18
+c1cc(ccc1C)S(=O)(=O)OCCc2cccc(C)c2[N+]([O-])=O	36
+c1cc(ccc1OC)C(c2ccc(cc2)OC)(OCc3cc(cc(CN=[N+]=[N-])c3)CF)c4ccccc4	604
+O=Cc1c(F)c(I)ccc1	39
+c1ccccc1-c2cccc(CO)c2C	11
+C(COc1c(Cl)cccc1C=O)C	39
+c1cc(ccc1)N(c2ccccc2)C(=O)OCc3c(Cl)c(OCC(=O)OC)ccc3	2469
+c1ccccc1CN(CCCCCCOCCCc2ccccn2)CC(c3ccc(O)c(CO)c3)=O	676
+c1cc(ccc1S(=O)(=O)OCc2cc(c(F)cc2)Cl)C	36
+O(c1cccc(CO)c1)c2ncc(C)cc2	1605
+c1(nc2c(cn1)cccc2)COc3cc(CO)ccc3	2818
+c1cc(ccc1COc2ccc(c(COCOC)c2)Br)C#N	22
+c1cc(ccc1)CNc2c(O)nc3c(c(NC(C)CO)nc(n3)SCc4c(c(F)ccc4)F)n2	10617
+c1c(Cc2cccc(c2)C(O)=O)cc(F)cc1	1
+c1ccccc1-c2n3ccccc3c(C(=O)OC)c2Cc4cccc(F)c4C	10618
+c1cc(ccc1OC)COc2c3c(ncnc3ccc2)Nc4cc(c(OCc5cc(F)ccc5)cc4)Cl	1111
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4ccc5OC(=CC(c5c4)=O)C(O)=O	108
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4cc5c(cc4)c(ccn5)C(=O)O	1
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)-c4ccc5c(c4)cc(C(O)=O)cc5	1
+c1c(Cl)c(c(cc1)Cl)-c2c(c(on2)C(C)C)COc3cc4ccc(cc4cc3)-c5ccc(C(O)=O)cn5	1
+Clc1cccc(Cl)c1C(NC(Cc2cc3c(nc(cc3)-c4c(cccc4Cl)Cl)cc2)C(O)=O)=O	4
+c1(cccc(Cl)c1-n2ncc(C(C)C)c2C(O)=O)Cl	1
+c1c(Cl)c(c(cc1)Cl)C(=O)Nc2ccc(cc2)CC(C(OC)=O)NC(c3c(cccc3Cl)C)=S	50
+c1(Cl)cccc(Cl)c1C(=O)NC(Cc2ccc(cc2)O)C(OC)=O	946
+c1nc(ncc1NC(c2c(cccc2Cl)Cl)=O)Nc3cnccc3	3097
+c1c(Cl)c(c(cc1)Cl)C(=O)Nc2ccc(cc2)CC(NC(=S)c3c(C)cccc3Cl)C(=O)O	4
+c1cc(ccc1NC(=O)c2c(cccc2Cl)Cl)CC(NC(=S)C3(CCCC3)CCCCS(=O)(=O)C)C(=O)O	4
+c1c(Cl)c(c(cc1)Cl)Cc2n(Cc3ccc(cc3)C(=O)OC)c4ccccc4n2	505
+c1c(Cl)c(c(cc1)Cl)Cc2n(Cc3ccc(cc3)C(O)=O)c4ccccc4n2	1
+CC(C)c1onc(Cc2c(cccc2Cl)Cl)c1COC	1043
+c1cc(ccc1)OC(Nc2ccc3c(n(Cc4c(cccc4Cl)Cl)cc3)c2)=O	90
+c1cc(ccc1Nc2nc3-n4c(N(C(=O)c3cn2)c5c(cccc5Cl)Cl)ncc4)C(O)=O	1
+c1ccccc1NC(c2ccc3nc([nH]c3c2)Nc4c(cccc4Cl)Cl)=O	1701
+c1c(Cl)c(c(cc1)Cl)NC(=O)Nc2cc3ccccc3cc2C(=O)N(CCC(=O)O)Cc4ccccc4	3
+c1c(Cl)c(c(cc1)Cl)S(=O)(=O)N(C)CCCCC(=O)O	3
+c1c(Cl)c(c(cc1)Cl)SCc2noc(C(C)C)c2CO	88
+Clc1cccc(Cl)c1SCc2noc(c2COc3ccc(cc3)-c4ccc5c(ccc(n5)C(=O)OCC)c4)C(C)C	20
+c1(cc(cc(Cl)c1C(=O)O)-c2nnn[nH]2)Cl	1
+c1cc(ccc1-c2cc(Cl)c(c(c2)Cl)CN3CCC4(CCCCC4)C3=O)F	11
+c1(cncc(F)c1NC(c2c(Cl)cc(cc2Cl)C#N)=O)F	50
+c1(cc(cc(Cl)c1)C(=O)C)Cl	480
+c1(Cl)cc(cc(Cl)c1N)C(CN(Cc2ccccc2)CCCOCCOCCCOc3ccccc3)O	4754
+c1(Cl)cc(cc(Cl)c1OCCCCCCCCCCCC)C(=O)O	1
+c1c(Cl)c(c(cc1-c2oc(nn2)C(=O)OCC)Cl)O	10619
+c1cc(ccc1CC(C#N)c2ccc(cc2)Br)OCCOc3c(cc(cc3Cl)C)Cl	10620
+c1c(Cl)c(c(cc1CCO)Cl)O	95
+c1(Cl)cc(cc(Cl)c1Oc2cc3c(C(C)C)c[nH]c3cc2)CBr	10621
+Clc1cc(cc(Cl)c1C2CC2)N=C=S	1034
+c1(Cl)cc(cc(Cl)c1C=O)OCc2ccccc2	22
+Clc1cc(cc(Cl)c1C#N)N	0
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)[N+]([O-])=O	815
+O=S(=O)(c1cc(ccc1O)Oc2c(cc(cc2Cl)N)Cl)CC3CC3	0
+C1CCC1NS(=O)(=O)c2c(ccc(c2)Oc3c(cc(cc3Cl)N)Cl)O	0
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(c(c2)C(C)C)O	5
+O=S(=O)(c1ccc(cc1)F)c2c(O)ccc(Oc3c(cc(cc3Cl)N)Cl)c2	0
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2cc(c(cc2)O)S(=O)(=O)CC3CC3	5
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2cc(c(cc2)O)S(=O)(=O)NC3CCC3	5
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(O)c(S(=O)(=O)c3ccc(cc3)F)c2	5
+c1c(Cl)c(c(cc1[N+](=O)[O-])Cl)Oc2ccc(c(c2)S(=O)(=O)c3ccc(cc3)F)OC	2290
+c1c(Cl)c(c(cn1)Cl)C#N	274
+c1cc(ccc1COc2c(cc(C(=O)OC)c(O)c2)Cl)OC	139
+c1c(Cl)c(C2=C(N=C3N(C(C)=CS3)C2=O)C(N)C)ccc1	1426
+c1cc(ccc1)COc2c(Oc3c(Cl)cc(Cl)cc3)cc(Br)c(Cl)c2	22
+c1cc(c(c2c1NC(C2=O)=O)Cl)C(=O)O	1418
+c1cc(ccc1)OC(=O)Nc2c3cc(ccc3c(Cl)cc2Cl)OC(=O)C	90
+Clc1cc(cc(Cl)c1)C#CC(=O)c2cc3c(cc(OC)cc3)nc2	10622
+c1(cc(cc(Cl)c1)C(=O)C=2NC(NC(C=2CC)=O)=O)Cl	3272
+c1c(Cl)cc(cc1CCCO)Cl	21
+c1(cc(cc(Cl)c1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl)Cl	14
+c1(cc(cc(Cl)c1)NCc2c(ccc(Br)c2)O)Cl	10623
+c1c(Cl)cc(cc1Sc2ccc(N)c(n2)C#N)Cl	13
+c1cc(ccc1[N+](=O)[O-])NC(=O)N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2	326
+C(c1c(C)ccc(Cl)n1)(=O)O	1
+c1c(N)cc(cc1)C(C)Nc2nc(Cl)cnc2	464
+c1cc(ccc1Oc2ncnc(SC)c2)[N+]([O-])=O	185
+c1cc(ccc1Cl)C2c3n(C(C)C)c(nc3C(=O)N2c4nn5c(c(C)c4)nnc5C)C	10624
+c1ccccc1Cc2n(-c3c(cccc3)F)nnc2-c4nc(no4)-c5ccccc5F	10625
+CC(c1c(F)cccc1)O	74
+c1cc(ccc1NC(=O)c2c(cccc2)F)C(=O)OC	50
+c1cc(ccc1Nc2c(c(Cl)nc(C)n2)NC(=O)c3c(cccc3)F)Cl	3097
+c1cc(ccc1C(=O)c2c(cc(cc2)F)F)OC	222
+c1cc(ccc1F)-c2c(ncnc2N)N3CC(CC3)(N)CNC(=O)c4c(F)cc(cc4)F	537
+c1c(F)c(C(NCC2(CN(c3c(c(ncn3)N)Br)CC2)N)=O)ccc1F	54
+c1c(F)c(F)cc2c1nc(C=Cc3cccc(C(CCc4ccccc4Cl)O)c3)cc2	74
+c1c(F)c(F)cc2c1nc(C=Cc3cc(ccc3)C(CCc4ccccc4Cl)=O)cc2	4578
+c1cc(ccc1-c2ccc3C(=O)N(Cc3c2)C(C(OC)=O)C(C)C)NC(=S)Nc4c(cccc4)F	773
+c1ccccc1CNc2c(F)cc(c(NC)n2)F	182
+c1c(F)c(c(cc1)F)-c2ccc(C(=O)N)c3[nH]c4CC(CCc4c23)C(C)O	100
+c1c(F)c(c(cc1)F)-c2nc3c(cn(S(=O)(=O)c4ccc(cc4)C)c3cc2)I	10626
+c1c(F)c(c(cc1)F)-c2noc(C)c2C(O)=O	1
+Fc1cccc(F)c1-c2nc(ccc2)-c3cc4c(OCc5ccccc5)ccnc4cc3	119
+c1cc(ccc1)Nc2cccc(c2C#N)F	275
+c1c(F)c(c(cc1)F)C(Nc2c(C(O)=O)[nH]nc2)=O	6
+c1(F)cccc(F)c1C(Nc2cn(Cc3c(OCc4ccccc4)cc(cc3)Cl)nc2)=O	309
+c1c(F)c(c(cc1)F)C(Nc2cn[nH]c2-c3nc4c([nH]3)ccc(c4)C=O)=O	39
+c1cc(ccc1-c2cn3c(C(N(C(N3Cc4c(F)cccc4F)=O)c5c(c(ccc5)OC)F)=O)c2C)[N+](=O)[O-]	10627
+c1c(F)c(c(cc1)F)COc2nc(C)cn3c(c(nc23)C)C(O)=O	6
+c1c(F)c(c(cc1)F)N2C=C(C(O)=O)C=CC2=O	127
+c1c(F)c(c(cc1N)F)C2=CCSCC2	10628
+c1c(F)c(c(cc1Br)F)CO	49
+c1c(F)c(c(cc1Br)F)N=C(CC(=O)c2ccc(cc2)F)N	10629
+c1ccccc1COC2CC(Oc3c(cc(cc3F)Br)F)CCC2	20
+Fc1cc(cc(F)c1OCC#C)C(=O)O	1
+c1(F)cc(cc(F)c1OC(C)C)CO	41
+c1(F)cc(cc(F)c1[N+](=O)[O-])C	4862
+c1cc(ccc1S(=O)(=O)Nc2c(F)cc(cc2F)F)C(=O)OC	69
+c1cc(ccc1S(=O)(=O)n2cc(c3c(ccnc23)Oc4c(cc(cc4F)NC(=O)C)F)Br)C	276
+c1(F)cc(cc(F)c1CC(=O)N2CCC2)OCCC3C(C4CCN(CC4)c5ncc(cn5)CC)C3	20
+Fc1cc(cc(F)c1C#N)O	5
+c1cc(ccn1)Nc2nc(ncc2OC)-c3nn(Cc4c(cc(cc4F)OCC)F)c5c3CCC5	3787
+c1c(F)c(c(cc1OCCC(C)C)F)-c2c(C(O)c3ccc(cc3Cl)F)c(nn2C)C	10630
+C1(=CC(=O)n2c(N1)c(cn2)-c3ncc(C)o3)c4cc(c(F)cc4)OCC	1915
+c1cc(ccc1Cl)-c2nc3c([nH]2)cc(F)c(c3)F	1127
+c1ccccc1Cc2c(C(=O)OC)nnn2-c3ccccc3F	10631
+c1ccccc1COc2c(C#N)ccc(F)c2	57
+c1c(F)c(ccc1F)C(C(C)c2ccc(nc2)C#N)(Cn3ncnc3)O	10632
+c1c(F)c(ccc1F)C(C(C)c2nc(ccc2)C#N)(Cn3ncnc3)O	1304
+c1cnccc1C(c2ccc(cc2F)F)=O	358
+c1(F)cc(cc(F)c1)-c2c(cc(Cl)c(C#N)n2)C(OC)=O	140
+c1c(F)cc(cc1C2NC(COC2)=O)F	467
+C1CC(CCO1)c2cc(F)cc(c2)F	191
+c1(cc(cc(F)c1)C2(SCCCS2)C(c3ccc(cc3)OC(F)F)O)F	3077
+c1cc(ccc1)C2=NC(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4ccccc24)C	207
+c1cnccc1C2NC(=O)C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)c4ccccc24	207
+c1cc(ccc1)C2C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4c(cccc4)O2)CC#C	207
+c1c(F)cc(cc1CC(=O)NC(C(=O)O)C)F	4
+Fc1cc(cc(F)c1)CC(N)C(C2N(Cc3ccc(cc3)OC)Cc4c(cccc4)C2)O	886
+C1CN(CCN1C)c2ccc(c(N)c2)C(Nc3[nH]nc4c3cc(cc4)Cc5cc(F)cc(c5)F)=O	0
+c1cc(Oc2cccc(c2)F)ncc1Br	1237
+c1cc(ccc1C(O)c2cccnc2F)F	2988
+O(c1c(C(=O)O)c(I)ccn1)C	1
+c1cc(ccc1F)-c2ccc(cc2F)CCc3cc4ccccc4cc3	10633
+O=C1c2c(C(=O)N1CCOc3cc(ncc3)Oc4c(cc(Cl)c(c4)Cl)I)cccc2	332
+c1ccccc1-c2ccc(cc2)-c3c4[nH]ccc4cc(c3)[N+]([O-])=O	10634
+c1(F)c(cc(cc1)C#Cc2cc(C#N)cnc2)CO	129
+c1cnc(o1)-c2cc(Cl)c(C)cc2	4776
+c1c(I)cc(cc1Br)O	5
+n1cc(cc(C#N)c1)C#Cc2cc(c(F)cc2)O	129
+c1ccn(c1)-c2cc(cc(Nc3ccc(I)cc3[N+](=O)[O-])c2)NC(C)=O	275
+c1c(I)cc(c(NC2=CC(=O)N(C)C=C2C(=O)O)c1)F	108
+c1c(I)cc(c(NC2=CC(=O)N(C=C2N)C)c1)F	10635
+c1c(I)cc(c(Nc2c(ccc3cncn23)C(=O)O)c1)F	1
+c1c(I)cc(c(Nc2c(F)c3nnsc3cc2C(=O)O)c1)F	1
+c1c(I)cc(c(Nc2c(ncc3cncn23)C(=O)OC)c1)F	5033
+c1c(I)cc(c(Nc2c3cnsc3ccc2C(NOCCO)=O)c1)F	1000
+c1ccccc1COc2c(C=O)ccc(I)c2	22
+c1ccccc1COCCCC2(CC2)S(=O)(=O)NC=3C(Nc4c(F)cc(I)cc4)=C(C(N5CCOC=35)=O)C	4945
+c1c(I)cc(c(c1)NC2=C(C(N3C(OCC3)=C2N)=O)C)F	10636
+c1c(I)cc(c(c1)NC=2C(N)=C3SCCN3C(C=2C)=O)F	10637
+c1ccccc1COC2CC(C2)S(=O)(=O)NC=3C(=C(C(=O)N4CCSC=34)C)Nc5ccc(I)cc5F	10638
+c1cc(ccc1COc2cc(I)cc(Br)c2)OC	139
+c1c(I)cc2c([nH]nc2C=O)c1	2231
+c1([nH]c2c(cccc2)n1)-c3n[nH]c4c3cc(I)cc4	567
+Nc1c(N)c(C)c(cc1)[N+]([O-])=O	0
+c1c(N)c(cc(Br)c1Br)N	0
+c1cnccc1SCC(Nc2cccc(c2)-c3n4ncc(C(c5sccc5)=O)c4ncc3)=O	33
+c1ccccc1CNC(Nc2cccc(-c3cnc(N)c(n3)C(=O)NC)c2)=O	406
+c1cc(ccc1)C(=O)NC(Nc2cc(ccc2)-c3nccc(OC)c3)=S	865
+c1ccccc1COC(Nc2cccc(C(O)CO)c2)=O	90
+c1c(N)cc(Cc2n(CC)ccc2)cc1	3156
+c1cc(ccc1Nc2ncnc(Nc3cccc(c3)C)c2)O	73
+c1cc(ccc1OCCCCCCCCCCCCCC)C(=O)Nc2cccc(CO)c2	50
+c1cc(ccc1OCCCCCCCCCCCCCC)CC(=O)Nc2cccc(CO)c2	26
+c1c2c(ccc1OCCCCl)c(Nc3cc([nH]n3)CC(Nc4cccc(c4)F)=O)ncn2	33
+c1nc(ncc1Br)Nc2cc(ccc2)F	55
+c1cc(ccc1)C(=O)N(C)CCC=Cc2cccc(c2)N	1046
+c1(I)cccc(c1)NC(=O)Nc2cccc3c2CC(O)CC3	446
+c1cc(ccc1CC(OCC)=O)Sc2cc(ccc2)N	826
+n1cc(cnc1Cl)C#Cc2cccc(N)c2	1472
+O=S(=O)(Cl)c1ccc(cc1)NC(=O)Nc2cc(C#N)ccc2	124
+C(COc1cccc(C(=O)OC)c1)(Nc2cccc(C#N)c2)=O	33
+c1(C(=O)OC)cc(NC(c2c(cccc2)C)=O)ccc1	50
+O=S(=O)(c1ccc(cc1)-c2ccc(F)cc2F)Nc3cccc(c3)C=C	69
+COc1ccc(Br)c(c1)CNc2nc(ncc2Cl)Nc3cccc(c3)CCCO	55
+c1ccccc1C(=O)Nc2cccc(N3CCc4c(cnc5ccnn45)C3)c2	50
+c1cc(ccc1Nc2cccc(c2)O)[N+](=O)[O-]	275
+c1cc(ccc1[N+]([O-])=O)Oc2cc(ccc2)N	46
+c1c(N)cc(Oc2nnc(cc2)Cl)cc1	1119
+c1(N)nc(ccn1)-c2c(c3cc(ccc3s2)Nc4cccc(OC)c4)C	230
+c1cc(ccc1)C(=O)Nc2c3ccccc3c(S(=O)(=O)Nc4cc(OC)ccc4)cc2	69
+c1cc(ccc1Oc2ncnc(Nc3cccc(OC)c3)c2)[N+]([O-])=O	73
+c1ccccc1CCc2cc3c(cc2)[nH]c4ncc(cc34)Nc5cccc(OC)c5	10639
+n1c(c2occc2nc1Cl)Nc3cc([nH]n3)C(Nc4cccc(OC)c4)=O	187
+c1cc(ccc1F)C(=Nc2cc(OCC)ccc2)N	1748
+c1cc(ccc1C)C(Nc2cccc(OCC)c2)=N	3121
+c1cc(ccc1C=2C(N(C3(CCOCC3)N=2)CC(=O)Nc4ccc(c(F)c4)F)=O)Cl	33
+c1(F)cc(ccc1F)Nc2nc(nc3c2cccc3)-c4cnncc4	10640
+c1(cc(Cl)ncn1)Nc2nc(ccc2)N	349
+c1ccccc1-c2cc(ccc2)CC(Nc3cccc4CCC(Cc34)O)=O	11
+C1C(C(=C2c3cc(F)c(N)cc3CC2(CCCC)C1)Br)=O	106
+Nc1cc(C)c(C(=O)C)c(Cl)c1	106
+c1(cc(Cl)c(F)cc1)NCC	15
+c1ccccc1COc2cccc(NC)c2[N+](=O)[O-]	57
+c1c(ncnc1NC)Nc2c(F)cc(F)cc2	73
+c1cc(ccc1Nc2cc(NC)ncn2)N3CCOCC3	73
+c1cc(N)c(NCc2cnccc2)cc1	0
+c1cc(N2C(Nc3c(OC)cc(c(F)c23)F)=O)c(F)cc1I	10641
+c1ccc(c(Nc2ccccc2C)c1)N	0
+c1c(Nc2c(N)c(OC)cc(F)c2F)c(F)cc(I)c1	0
+c1c(Nc2c3nccn3nc(c2)-c4cccc(c4)C=O)nc(cc1)N5CCCC5C	39
+c1cc(ccc1)Oc2ccc(cc2)Nc3ncnc(Nc4cccc(NC)n4)c3	73
+c1ccccc1C2=C(CN(C(=O)C)CC2)COc3c(C=O)c(ccc3)O	10642
+c1ccccc1S(=O)(=O)Oc2cc3cc[nH]c3c(Br)c2	681
+c1cc(ccc1Cl)Oc2cccc(c2)O	304
+c1cc(ccc1COc2cc(O)ccc2)Cl	22
+c1cc(ccc1CC(=O)c2ccc(O)cc2O)F	214
+c1(ccnc2c1cc(c(OC)c2)OC)Oc3cc4cc(ccc4cc3)O	242
+O=Cc1c(c(OC)c(cc1)O)[N+]([O-])=O	173
+c1cc(ccc1OCCCCc2cc(OC(=O)C)ccc2)CCN3C(OC(c4ccc5OC(C)(C)OCc5c4)C3)=O	8
+C1Cc2c(NC1=O)c(F)cc(c2)O	173
+C1CC1(C(OC)=O)Oc2ccc([N+]([O-])=O)c(F)c2	5017
+c1ccc(OC(Cc2c(C)ccc3c2cccc3)C)c(N)c1	0
+C(c1c(O)c(ccc1OC)C=O)CC	732
+c1c(OC)c(Cl)ccc1CO	98
+c1c(c(Cl)ccc1CC#N)O	5
+Nc1cc(cc(OC)c1N)C#N	0
+c1cc2C(C#N)CCCc2c(c1OC)[N+]([O-])=O	4966
+c1(c(cccc1OC)O)C(C)CC	5
+c1c(OC)c(c(cc1)OC)CNC(Nc2nc(ccc2)-c3ccc(cc3)F)=N	10643
+c1c(OC)c(c(cc1-c2c(C(=O)Nc3c(cccc3)-c4ccc(CC(O)=O)s4)cccc2)OC)OC	4
+c1c(OC)c(c(cc1-c2c(C(O)=O)cccc2)OC)OC	1
+COc1cc(cc(OC)c1OC)-c2nc(cs2)C=O	1348
+c1c(OC)c(c(cc1CC=O)OC)OCc2ccccc2	24
+c1c(OC)c(c(cc1Nc2nc(nn3c2c(nc3C)C)-c4cc(N)ccc4)OC)OC	0
+c1c(OC)c(cc(-c2c(C)ccc(n2)C#N)c1)F	10644
+c1cc(ccc1NC(C)=O)C(c2cc3NC(C(=CNc4cc(O)c(cc4)OC)c3cc2)=O)=O	1300
+c1c(OC)c(cc([N+]([O-])=O)c1)-c2cc(CN)ccc2	107
+c1c(ccc(C#N)c1OC)CO	98
+c1c(CC=O)ccc(C#N)c1OC	24
+c1c(OC)c(ccc1CNCCNc2cc(OC)cc(Br)c2)OC	15
+c1c(OC)c2oc(CO)cc2c(c1)Br	3155
+c1c(OC)cc(cc1C(c2cc3c(cc[nH]3)cc2)=O)OC	1217
+COc1cc(cc(OC)c1)C(c2cccc(OC)c2)=O	335
+c1cc(ccc1CCC(NCCc2cc(OC)cc(OC)c2)=O)F	9
+c1(cc(cc(OC)c1)CN2C(=C(c3ccccc3)c4c(cccc4)C2=O)C(=O)OC)OC	562
+Fc1cccc(F)c1-c2nc3c(s2)c(OC)cc(c3)OC	2179
+C(OC(CCc1ccc(cc1F)O)=O)C	5
+c1cc(ccc1OC)C(=O)c2c(OC)cc(c(CCC(OCC)=O)c2)OC	222
+c1cc(ccc1)-n2c(cc(NC(C34C(C(=O)N(Cc5c(OC)cc(OC)cc5)C3)C4)=O)n2)-c6cc(CCC)ccc6	142
+CCOC(=O)c1c2CNC(c3ccccc3-n2cn1)=O	4319
+C1(C(C)C(C(=O)O)CN1)=O	3157
+c1cc(ccc1)CC(=O)NC2C(N(Cc3c(cc(cc3)OC)OC)C2=O)C(=O)OC	952
+C1(CC(NC1)=O)C(=O)O	3157
+c1(cc2cc(OC)ccc2nc1Cl)[N+]([O-])=O	2298
+c1c2c(ccc1O)c(-c3cnccc3)cs2	5
+n1(CC)cc(c2ccc(cc12)O)C#N	5
+c1cc(ccc1-c2c(c3ccc(OC)cc3n2CC)C#N)O	10645
+c1cc(ccc1)Sc2c3c(cc(OC)cc3)ncc2	5026
+c1c(OC)ccc2c(OCC(NNc3nnc(cc3)Cl)=O)ccnc12	355
+c1c(OC)ccc2c(ccnc12)OCc3nnc4n3nc(cc4)Cl	2736
+c1c(OC)ccc2c(c(C(CCO)CCCC)sc12)C	21
+c1cc(ccc1-c2nccnc2NS(=O)(=O)c3ccccc3Cl)Cn4c(C)cc5cc(ccc45)OC	962
+c1c(OC)ccc2c1n(c3CCCC(=O)c23)CC(=O)O	3
+c1cc(ccc1F)C#Cc2c(C#N)c3c(cc(OC)cc3)n2CC	10646
+c1nc2c(ccc(c2)O)s1	5
+c1c(OC)ccc2nc(NC(=O)CO)sc12	948
+C(Sc1nc2cc(OC)ccc2nc1)C=O	24
+c1c(ccc2oc(C(=O)O)cc12)O	5
+c1c2c(sc(C(=O)OC)c2)ccc1O	5
+C1CC(CCN1C(=O)COc2c(cc(cc2)C3=NNC(CC3)=O)Cl)NCC(COc4ccccc4)O	731
+c1(C=O)cc(OCC)c(Cl)cc1	39
+c1(OCC)cc(cc(OCC)c1F)C=O	39
+c1cc(ccc1C(c2ccc(cc2)F)CCCCC(=O)N3CCN(CC3)CCOc4cc(c(OC)cc4)OC)F	28
+c1c(OCCCCl)c(cc(C(C)O)c1)O	74
+c1c(OCCCCl)c(cc(c1)C(=O)C)O	5
+c1cc(cc(I)c1OC=C)CCCO	5034
+c12c(cccc1)C(=O)N(C2=O)OCCOc3c(N)cc(cc3)C#N	1395
+c1c(OCCOC(C)=O)c(cc(N)c1)OC	0
+c1cc(ccc1OC(=CC)C(=O)Nc2ccc(c(c2)OC)OCCOC3CCCCO3)C4CC4	10647
+c1c(OCCOC2OCCCC2)c(cc(N)c1)OC	0
+c1c(OCCn2cc(cn2)N)cccc1OC	209
+Fc1c(cc(Oc2c(O)cccc2)c([N+]([O-])=O)c1)NC(C)=O	5
+c1cc(ccc1)CC(=O)NC(=S)Nc2cc(F)c(Oc3c4sc(cc4ncc3)S(C)=O)cc2	2095
+c1cc(ccc1CCC(OC)=O)OCc2cc(Oc3cc(ccc3)C)ccc2	20
+c1(C(=O)O)cc(Oc2ccc([N+]([O-])=O)cc2Cl)cnc1	1
+c1cc(ccn1)-c2nc(nc(Nc3cc(c(cc3)Oc4cc5cn[nH]c5cc4)F)c2)N	73
+c1cc(ccc1)C(OCCn2ccc3ncnc(c23)Nc4ccc(c(Cl)c4)Oc5cccc6C(NCc56)=O)=O	1190
+c1c(Oc2cccc3c2CNC3=O)c(Cl)cc(N)c1	0
+c1cc(ccc1F)CC(=O)NC(=S)Nc2cc(c(cc2)Oc3cc(Cl)ncc3)F	2095
+c1cc(ccc1)N2CCN(C2=O)C(Nc3cc(c(Oc4ccc(O)nc4)cc3)F)=O	10648
+c1cc(ccc1C=O)Sc2ccccc2Br	815
+c1cc(ccc1)Nc2ccccc2SC	230
+c1(c([N+]([O-])=O)cccc1N)C=C	0
+Nc1cc([N+]([O-])=O)cc(c1)Br	0
+Nc1c(C)ccc(C(C)O)c1	0
+c1cc(ccc1F)COc2cc(c([N+]([O-])=O)cc2)F	139
+c1ccccc1COc2cc(c([N+]([O-])=O)cc2)F	22
+c1cc(ccc1)Nc2c(F)c(N)c([N+]([O-])=O)cc2C(=O)OC	275
+c1(c(C)cccc1)Nc2c(c(c([N+]([O-])=O)cc2C(OC)=O)N)F	275
+c1c2c(cc(-n3ccnc3)c1[N+]([O-])=O)NC(=O)C(N2O)=O	431
+c1cc(C=CC(OC)=O)cc(N)c1OC	0
+c1c([N+]([O-])=O)c(ccc1C=CCO)OCOC	2219
+c1cc(ccc1SCC=Cc2cc(c(OCOC)cc2)[N+](=O)[O-])Cl	10649
+Nc1cc(C)cc2CCOc12	0
+n1(c(c(nc1Sc2c(cc(N)cc2)Cl)C)C)CC	0
+c1c([N+]([O-])=O)cc(N2CCCCC2=O)cc1C(=O)OC	1525
+Nc1cc(cc(OCC)c1)C(=O)OC	0
+c1c(C#N)cc(N)cc1[N+]([O-])=O	0
+c1c2c(cc(cc2)COc3cc(cc(C(=O)OC)c3)[N+]([O-])=O)ccc1	22
+O=S(=O)(Cc1ccccc1)c2c(ccc([N+](=O)[O-])c2)Cl	10650
+c1c(OCCOC)c(I)cc(N)c1	0
+Nc1sc2c(ccc(N)c2)n1	0
+c1ccccc1C(=O)Nc2nc3c(s2)cc([N+]([O-])=O)cc3	548
+n1c(SC)nccc1-c2c(nn3c2cccc3)-c4cc([N+]([O-])=O)ccc4	4694
+C(C)(c1cccc([N+]([O-])=O)c1)O	74
+c1([N+]([O-])=O)cccc(Cc2n(C)ccc2)c1	10651
+c1c(N)cc(cc1)C(=O)c2cccn2CCCC	0
+n1cc(-c2cc(ccc2)[N+]([O-])=O)nc3ccccc13	4249
+n1(-c2cccc([N+]([O-])=O)c2)ccnc1	1444
+n1ccccc1NCCCO	174
+c1cc(ccc1C)C(Nc2nc(-c3ccccc3OC)cs2)=O	548
+c1c(c(-c2n(C)ncc2Cl)cc(N)c1)OC	0
+O=Cc1csc(-c2c(cc(C)cc2)[N+]([O-])=O)n1	1348
+N(C(N)=O)Cc1c(c(C(=O)O)ccc1)C(O)=O	1
+c1c(OC)c(cc(c1)C(=O)C)C(=O)O	1
+c1c2ncn(-c3cc(OCc4ccccc4C)c(C(OC)=O)s3)c2ccc1	3080
+c1ccccc1COc2cc3n(nc(c3-c4sc(c(n4)-c5c(cccc5)F)C(=O)OCC)C)cc2	10652
+C1CN(CCN1C(=O)OCc2ccccc2)c3scc(-c4ccccc4F)n3	354
+c1c(c(C)c(NCc2c(F)ccc(c2)-c3cc(ccc3)F)c(F)c1)O	162
+c1c(CCO)c(C)c([N+]([O-])=O)cc1	21
+c1cc(ccc1OC)-c2c(oc(n2)COc3cc(c(OCC(=O)OC)cc3)C)Br	10653
+c1ccc(Cl)c(-c2n(c3c(cccc3)n2)-c4c(cc(cc4)O)C)c1	5
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(c5c4cc(c(C)c5)[N+]([O-])=O)Br	2271
+c1c(c(c(Cl)cc1F)CO)F	41
+c1c(c(CC)c(Br)cc1)CCN	157
+c1(c(Cl)cc(C(Nc2ccccc2C(OC)=O)=O)cc1)OC	67
+c1cc(ccc1CC(=O)OCC(c2ccc(OC)c(Cl)c2)=O)OCc3ccc4ccccc4n3	1231
+c1c(c(Cl)cc(N)c1)OCc2ncccc2	0
+c1ccccc1COc2c(ccc(c2)CC#N)Cl	22
+O(c1c(Cl)ncc(C(=O)O)c1)C	1
+c1(c(ccc(Cl)c1C(=O)O)O)F	5
+c1cc(ccc1NC(c2c(c(OC)ccc2Cl)F)=O)CC(OCC)=O	67
+n1(c2cnccc2c(n1)C(=O)N)CC(=O)N3C4CC4CC3C(NCc5cccc(Cl)c5F)=O	348
+c1c(c(c(C(=O)O)c(C)c1)F)OC	1
+c1c(c(F)cc(N)c1)OCc2cccc(F)c2	0
+c1cc(ccc1C(=O)Oc2ccc(c(c2)F)C#N)OC(C=CC)=O	5035
+c1ccccc1COc2cc(c(C#N)cc2)F	22
+c1c(c(F)ccc1C(=O)O)Oc2ccnc(Cl)c2	1
+n1c(c(-c2nc(NC)ncn2)ccc1)Oc3ccc(c(c3)C(=O)O)F	136
+c1n(nc(I)c1C(=O)O)C2CCCCO2	6
+c1c(c(N)c(C)cc1F)F	4256
+c1(c(N)cc(c(Sc2cccc(C)c2)c1)Cl)N	0
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc([N+]([O-])=O)c3)ccc1F)F	230
+c1cc(ccc1C(=O)c2c(OC)ccc(Br)c2)Nc3c(F)cc(F)cc3	230
+c1cc(ccc1OC)COc2ccc(c(c2)C(c3ccc(Nc4c(F)cc(cc4)F)cc3[N+]([O-])=O)=O)C	230
+c1cc(ccc1C)S(=O)(=O)OCCc2nnn(c2)-c3cc(C(=O)c4c(cc(Nc5ccc(F)cc5F)cc4)Cl)c(cc3)C	36
+c1c(c(Nc2cc(Cl)c(cc2)C(=O)c3c(C)ccc(N)c3)ccc1F)F	0
+c1c(c(Nc2cc(N)c(cc2)C(=O)c3c(C)ccc(OCCCO)c3)ccc1F)F	0
+c1ccccc1COc2c(CC(OC)=O)cc(cc2Br)Br	22
+c12c(Cl)cccc1CCCO2	126
+c1cc(ccc1-c2cc(cc(c2O)[N+]([O-])=O)C(OC)=O)F	11
+Nc1c(O)c(cc(F)c1)-c2cc(C(=O)O)ccc2	0
+[N-]=[N+]=NCc1cccc(c1OC)Br	10654
+c1(c(c(CC=O)ccc1)OC)OC	1292
+c1c2c(nc(-c3ccc(c(OC)c3)Cc4ccccn4)o2)ccc1	10655
+c1ccccc1OC(Nc2cc(c(cc2OC)C)C)=O	90
+c1c(c(OC)cc2c1N(C(=O)OC2)C)CC=O	1156
+C1CN(CCC1C(=O)c2ccc(cc2)F)CCN(c3ccccc3OC)C(c4cccc(c4)OC)=O	61
+c1c(c(OC)ccc1)N(C(=O)c2cccc(OC)c2)CC=O	24
+c1c(c(OC)ccc1)N(CCO)C(=O)c2cccc(OC)c2	168
+C1(Nc2cccc(c2OC1)CC=C)=O	2729
+c12ccc(cc1cc(CO)o2)-c3noc(-c4ccc(c(OCC)c4)OCC)n3	529
+c1ccc(c(N)c1)OCCF	1599
+c1cc(ccc1C)S(=O)(=O)OCCOc2ccccc2Br	36
+c1c(c(N)c(C(Nc2cccc(c2C)Br)=O)cc1F)F	0
+C1C(=O)Nc2c1cccc2F	1089
+c12NC(Cc1ccc(c2)-c3cc(OCC)ccc3)=O	1089
+c1c(c([N+]([O-])=O)cc(-c2cc(OCC)ccc2)c1)CC(O)=O	4
+c1ccccc1COc2c(cc(c([N+](=O)[O-])c2)Br)F	22
+c12C(CCc1cc(N)c([N+]([O-])=O)c2)=O	106
+c1cc(ccc1S(=O)(=O)OCCc2ccccc2[N+](=O)[O-])C	36
+c1(c(ccc(C)c1C(=O)O)O)F	5
+c1c(CCO)c(c(C)cc1)[N+]([O-])=O	21
+c1cc(N)c(c(c1OC)[N+]([O-])=O)CC	0
+c1c(c(c(Cl)cc1)C)Cn2c(nc3c(Br)cc(N)cc23)CF	0
+c1cc(ccc1[N+]([O-])=O)Cc2c(c(ccc2)Cl)Cl	2300
+c1(c(c(ccc1CO)OC)Br)F	41
+c1ccccc1C=C(Cc2cccc(c2C)F)[N+](=O)[O-]	1734
+c1c(Br)c(c(N)cc1C#N)Cl	0
+c1(c(ccc(c1C#N)I)O)F	5
+c1c(c(F)c2cc(C)[nH]c2c1)OC	3345
+c1c(c(c(cc1)OC)C)CCN	157
+C(OC)CCc1cc(cc(c1C)Br)C(=O)OC	374
+O=Cc1cc(c(c(c1)C=CCOC)C)Br	1766
+C1C(C(=C2C(CCCC)(C1)Cc3c(c(ccc23)O)Cl)C)=O	5
+c1(c(c2cc(C)n(c2cc1)C)F)O	5
+c1c(c(cc(-c2noc(C(=O)O)c2)c1)C)OCCc3cc4C(=O)N(c5c(N(c4nc3)CC)nccc5)C	6
+C(C)OC(c1onc(-c2cc(C)c(cc2)O)c1)=O	241
+Oc1c(cc(cc1)C(=O)c2ccccc2Cl)CC	5
+c1(ccc(cc1F)F)C=Nc2cc(Br)c(cc2O)F	457
+O(CC)C(C=C(c1ccc(N)cc1F)C)=O	1191
+c1(c(cc(c(OC)c1)CC)N)OC	0
+c1c(c(cc(c1)-c2nsc3ccc(N)cc23)C)OC	0
+c1c(c(cc(C(=O)O)c1)C#N)OC	1
+O(c1c(cc(cc1)CN)OCC)Cc2ccc(nc2)OC	817
+c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(CCC(=O)O)n2)Cl)OC	4
+c1c(c(cc(c1)Nc2c3cc(N)c(OCC)cc3ncn2)Cl)OCc4cccc(F)c4	0
+O=Cc1c(Oc2cc(c(Cl)cc2)Cl)ccc(c1)Br	46
+c1c(Br)c(C#N)cc(N)c1N(C(C)CCl)C	0
+c1cccc(-c2c3c(n[nH]2)ccc(-c4[nH]nnn4)c3)c1O	5
+c1cc(ccc1)COc2c(cccc2)-c3ccccc3Br	11
+c1cc(ccc1)COC(NC(C)C(=O)Nc2c(cc([N+]([O-])=O)cc2)C(c3ccccc3F)=O)=O	33
+c1(ccccc1C)C(N2c3ccccc3CC2)=O	448
+c1cc(ccc1C(=O)N2CCc3cnc(C)nc3-c4ccccc24)NC(c5c(C)cccc5)=O	50
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3Cc4cccn4Cc5c3ccs5	50
+c1cc(ccc1C(C)C)CN(C(=O)CCc2ccc(cc2)OCc3ccccc3C(OC)=O)CCCOCC	22
+c1cc(ccc1CCC(N(CCC)Cc2ccc(F)cc2F)=O)OCc3ccccc3C(OC)=O	22
+c1cc(ccc1CCCO)OCc2ccccc2C(OC)=O	22
+c1c2-c3c(CCOc2cc(Br)c1)cc(C(N(c4c(Cl)cccc4)C)=O)s3	4609
+c1c(-c2ccc3c(NC(CC(c4sc(cc4)C#N)=N3)=O)c2)c(ccc1)F	10656
+c1c(c(ccc1)F)-c2ncc(OCCO)cc2	95
+c1c(c(ccc1)F)-c2ncc(N)cc2	13
+c1cc(ccc1-c2cccc(OCC)c2)C3N(c4c(F)cccc4)N=C(C3)C(OC)=O	4899
+O=Cc1ccccc1I	39
+N(=[N+]=[N-])Cc1ccccc1I	925
+Oc1nc2c(cc1)cccc2Br	10657
+O=Cc1c(cccc1)Nc2cccc(C)c2C	39
+O=S(=O)(c1ccc(cc1)C)CCOC(=O)CCc2c(OC)cccc2	27
+C1c2nc(C#N)ccc2C(NCCc3ccccc3OC)CC1	5036
+c1cc(ccc1C)S(=O)(=O)NCCc2ccccc2OC	71
+c1cc(N)c(NC(CCCCCN)=O)cc1	0
+c1c(c(ccc1)[N+]([O-])=O)NC(CCCCCN)=O	18
+c1cc(N)c(NCC)cc1	0
+n1c2nc(nc(O)c2ncc1)-c3cc(ccc3F)Br	10658
+c1cc(ccc1-c2c(C)sc(NC(c3ccc(OC)c(c3)OC)=O)n2)OC	548
+CC(C)(C#N)c1c(cc(NC(c2cc(c(cc2)OC)OC)=O)cc1)-c3ccc(cc3)C	50
+c1(C=O)cc(c(cc1)-n2cc(nc2)C)OC	1766
+c1cc(ccc1OC)S(=O)(=O)N(Cc2cc(C)ccc2[N+]([O-])=O)C(C(OC)=O)CO	10659
+COc1cccc(-c2noc3cc(ccc23)F)c1	10660
+c1c(c(ccc1F)C2c3nc(nc(c3CC2)NC(C)CCCOc4cc(N)ccc4-n5cnc(C)n5)Cl)F	0
+c1ccccc1COc2ccc(O)c(C(C)=O)c2	22
+c1cc(ccc1C#CCNCc2ccc(OC)cc2OC)[N+](=O)[O-]	121
+c1c(c(Br)nc(c1)C=O)OC	178
+c1cc(ccc1F)-c2nnc(OC)c(OC)c2	519
+c1cc(ccc1)Sc2cc(c3c(CCCC3=O)c2)F	815
+c1c(cc(C)c2Cc3c(cccc3C)-c12)C	394
+Nc1cc(C)cc2c1OC(C)C2	0
+c1cc(ccc1Cl)C(c2c[nH]c3c(CSC)cccc23)(C)C4CC4	1263
+c1cc(ccc1Cl)C(c2cc(c(F)cc2)Cl)c3c[nH]c4c(cccc34)CSC	5037
+c1cc(ccc1C(c2c(cc(cc2)F)C)c3c[nH]c4c3cc(cc4CSC)F)F	5037
+c1c(cc(CN)c(Cl)c1)Br	162
+O=C(c1cc(n(n1)-c2ccc(cc2C(=O)N3Cc4ccccc4CC3CO)Br)C)O	6
+c1c(cc(CO)cc1F)Br	49
+c1c(cc(c(Nc2c(cc(c(F)c2)-c3cc(C)c(Cl)cc3)OC)c1)C(=O)O)Br	1
+c1c(cc(C(O)c2ccc(OCC)c(F)c2)c(Cl)c1)Br	488
+c1cc(ccc1CNC(c2cc(ccc2F)Br)(CO)C)OC	42
+c1cc(ccc1-c2ccc(s2)C(=O)c3cc(ccc3Cl)Br)F	10661
+c1c(OC)ccc2[nH]c(nc12)-c3c(F)ccc(c3)Br	10662
+c1cc(ccc1-c2cc(c(cc2)F)C(=O)Nc3cccc(OCC(OCC)=O)c3)F	11
+c1c(cc(C(CC)=O)c(F)c1)Br	155
+c1c(cc(c(Cl)c1)Cc2ccc(OCC)c(c2)F)Br	452
+c1c(cc(C(=O)c2cccc(c2)F)c(F)c1OC)C#N	335
+c1c(cc(C)c(CO)c1)Br	98
+c1cc(c(F)cc1-c2cc(c(cc2)C(OC)=O)C)Nc3nc4c(cc(F)cc4)s3	2256
+c1cc(ccc1[N+]([O-])=O)-c2ccc(c(c2)C)C(=O)OC	11
+c1cc(ccc1-c2cccnc2N)Oc3cc(c(cc3)C)C	304
+c1c(cc(C)c(c1)CCOC(=O)Nc2cccc(C#N)c2)Br	589
+c1cc(ccc1-c2cccnc2N)Oc3cc(c(F)cc3)C	304
+c1cc(ccc1Oc2c(cc(F)cc2)C)-c3cccnc3N	754
+c1c(cc(C)c(CO)c1)Br	49
+c1cc(ccc1)Oc2ccc(c(c2)C)C(OCC)=O	304
+c1ccccc1S(=O)(=NC(c2cc(cnc2)C#Cc3ccc(c(c3)C)O)=O)C	129
+C(C(C)[N+]([O-])=O)c1cc(ccc1F)F	3150
+c1cc(c(cc1Br)C=O)Oc2cccc(c2)CC(OC)=O	46
+O(c1ccc(cc1C=O)Br)c2cc(ccc2OC)CC(=O)OCC	46
+c1cc(ccc1OC)Oc2c(cc(cc2)Br)C=O	46
+c1cc(ccc1OCC)-c2sc(cc2)Cc3cc(ccc3F)Br	5038
+s1c(Cc2cc(ccc2F)Br)ccc1-c3cc(ccc3)OCC	5038
+c1ccccc1C(c2cc(Br)ccc2F)O	704
+c1c(I)cc(CO)c(F)c1	41
+c1cc(ccc1-n2ncc3cc(I)ccc23)C(=O)O	5039
+c1cc(ccc1-n2c3c(cc(I)cc3)cn2)Cl	5039
+c1ccccc1COc2ccc(Br)cc2C=O	22
+c1c2c(c(nn2Cc3cc(ccc3)C#N)N)c(cc1)Cl	823
+c1c2c(c(nn2Cc3cc(ccc3)C#N)N)c(cc1)F	823
+c1cc(ccc1F)C(N2Cc3cc(OCc4cc(C#N)ccc4)nn3CC2)=O	10663
+C1CN(CCN1Cc2cccc(C#N)c2)c3ccc(cc3)[N+]([O-])=O	131
+C(c1cc(ccc1)C#N)n2ncc([N+]([O-])=O)c2	309
+CC1(C)Cc2cc(Br)ccc2O1	1658
+c1c(cc2cc([nH]c2c1)-c3c(F)cccc3Cl)Br	10664
+c1c(cc(CC(c2c(Cl)cccc2F)=O)c(c1)[N+]([O-])=O)Br	155
+c1cc(ccc1C)S(=O)(=O)OCCCc2cc(Br)ccc2F	36
+c1c(cc(c(Nc2c(cc(c(F)c2)-c3cc(C)c(Cl)cc3)OC)c1)C=O)Br	39
+c1c(Br)cc2CN(C(c2c1)=O)C	10665
+c1ccccc1COc2c(cc(Br)cc2)CO	22
+c1cc(ccc1C(c2ccc(cc2)OC)(c3ccccc3)OCc4cc(C#N)ccc4)OC	604
+c1c(cc(Cc2occ(n2)C(=O)O)cc1)C(=O)C	1
+c1cc(ccc1-c2sc(F)cc2NC(OC(C)c3ccc(F)cc3Cl)=O)-c4ccc(cc4)C5(CC5)C(=O)OCC	2578
+c1cc(ccc1)-c2ccc(c(Cl)c2)C(=O)Nc3cc(CC(OCC)=O)ccc3	11
+c1cc(ccc1)-c2c(Cl)cc(Br)cc2	4665
+C1Cc2c(NC1=O)c(Cl)cc(Br)c2	2440
+c1c(cc(Cl)c(N2C(=O)NCC2)c1)Br	1760
+c1c(cc(c(c1)CC[N+](=O)[O-])Cl)Br	364
+c1cc(OCCCl)c(Cl)cc1Br	267
+c1cc(ccc1C#Cc2c(cc(Br)cc2)F)CCCCC	129
+c1(ccc(Nc2ccccc2[N+]([O-])=O)cc1F)C(OCC)=O	230
+C1N(CC1Oc2cc(ncc2)F)c3ccc(cc3)C(NC(C)=O)C	2009
+Ic1c(C=Cc2c(I)cc(cc2)Br)ccc(Br)c1	1521
+c1ccccc1C(Nc2c(ccc(Br)c2)C(=O)OC)=O	50
+c1cc(ccc1)-c2c(cc(cc2)Br)N	134
+c1c(cc(c(c1)CCOC(=O)Nc2cccc(C#N)c2)CC)Br	589
+c1c(cc(c(CO)c1)O)Br	49
+O=Cc1ccc(N2C=Cc3c(C2=O)ccc(OC)c3)cc1OC	2333
+c1cc(ccc1)COc2c3c(n(nc3Nc4cc(c(cc4)Cl)SC)C5C(CCOC5)C#N)ccn2	781
+c1c(cc(N)c(C(=O)OC)c1)Br	0
+c1cc(ccc1-c2ccc(F)cc2[N+](=O)[O-])F	667
+c1(N)cc(ccc1NC(C)CO)Br	0
+c1cc(ccc1)CNc2ccc(-c3oc4ccccc4n3)cc2[N+](=O)[O-]	60
+c1c(cc(N)c(c1)O)Br	0
+[N+](c1cc(CO)cc(Br)c1)([O-])=O	49
+c1c(cc2OCCCNC(c2c1)=O)Br	513
+c1ccccc1-c2ccc(C)c(C#N)c2	11
+c1(cc(ccc1C)Br)C=CCCOC	2053
+c1c(cc(CO)c(CBr)c1)Br	49
+c1c(cc(c(CBr)c1)C(=O)O)Br	1
+c1cc(ccc1-c2cc(ccc2F)OC)C3Oc4c(CC3)ccc(Br)c4	10666
+c1cc(ccc1C(c2c(ccc(Br)c2)Cl)=O)CCOC(=O)C	358
+n1cc(cnc1N2CCC(CC2)Oc3cc(ccc3Cl)Br)-c4nn(nn4)CC(OCC)=O	20
+c1cc(ccc1Oc2c(Cl)ccc(c2)F)[N+]([O-])=O	46
+c1c(Br)cc2c(c1)N(CC2)C(=O)Cc3cc(ccc3F)F	429
+c1cc(ccc1[N+]([O-])=O)Oc2c(ccc(F)c2)F	46
+c1c(cc(c(c1)-n2nccc2)[N+]([O-])=O)Br	926
+c1cc(ccc1)Sc2ccc(Br)cc2C(=O)O	826
+c1c(cc(C=Cc2c(I)ccc(c2)Br)c(I)c1)Br	1521
+c1cc(ccc1-c2cc(c(cc2)N)C#N)Cl	11
+c1ccccc1Cc2cc(C#N)c(cc2)N	2300
+c1cc(ccc1)S(=O)(=O)c2cccc3cc(C(Nc4c(C#N)cc(cc4)I)=O)[nH]c23	187
+c1c(cc(C(C)O)c(N)c1)Br	74
+c1cc(ccc1)C(O)(c2cc(ccc2N)Br)C	3847
+c1cc(ccc1OCC(=O)Nc2c(C(=O)OC)cc(cc2)Br)C#N	26
+c1c(cc(c(Nc2c(ccc(Cl)n2)C(=O)O)c1)F)Br	201
+c12c(cc(-c3ccncc3C)[nH]1)cc(Br)cn2	3152
+c1c(cc(c(NC2=C(C=C(C(N2C)=O)Br)C(=O)O)c1)F)Br	127
+c1c(cc(c(NC2=CC(=O)N(C)C=C2C(NOCCO)=O)c1)F)Br	1000
+c1c(cc(c(Nc2c(C(=O)OC)ccc3cncn23)c1)F)Br	1905
+c1c(cc(c(Nc2c(ccc(O)n2)C(=O)O)c1)F)Br	1
+c1c(cc(c(Nc2c(C(=O)OC)ccc(O)n2)c1)F)Br	104
+c1c(cc(c(Nc2c(ccc3cncn23)C(=O)O)c1)F)Br	1
+c1c(cc(c(Nc2c(cn3c(c2Cl)ncc3)C(=O)O)c1)Cl)Br	1
+c1c(cc(c(Nc2c(cnc(O)c2F)C(=O)O)c1)F)Br	1
+c1c(cc(c(Nc2c(C(=O)OC)cnc(O)c2F)c1)F)Br	104
+c1c(cc(c(Nc2c(C(NOCCO)=O)ccc3cncn23)c1)F)Br	1000
+c1c(cc(c(Nc2c(c3c(cc2C(=O)O)n(cn3)C)Cl)c1)Cl)Br	1
+c1c(cc(c(Nc2c(-c3nnc(CCl)o3)cn4c(c2Cl)ncc4)c1)F)Br	2145
+c1c(cc(CO)c(Nc2c(cc(c(F)c2)-c3cc(C)c(Cl)cc3)OC)c1)Br	49
+c1ccccc1CSc2cc(C=O)c(Nc3cc(c(cc3OC)-c4cc(c(Cl)cc4)C)F)cc2	607
+c1cc(ccc1F)-c2cccn3c2nc(n3)Nc4ccc(-n5cnc(C)c5)c(c4)OC	490
+c1c(cc(C(=O)N2Cc3ccccc3CC2CO)c(-n4c(C)cc(n4)C(=O)OCC)c1)Br	30
+c1c(cc(N)c(c1)-n2nccc2)Br	0
+c1cc2c(cc1)C(c3ccccc3O2)C(C(=O)c4ccc(cc4C)Br)C(=O)OCC	10667
+c1cc(ccc1)-c2cc(c(C=O)cc2)F	11
+c1c(cc(F)c(C=C)c1)Br	10668
+c1c(cc(N)c(c1)CC)Br	0
+c1cc(ccc1Cl)-c2cc([N+](=O)[O-])c(cc2)CC	11
+C1c2c(F)cc(cc2C(CC1)=O)Br	214
+c1cc(ccc1C(NCCc2c(Cl)cc(cc2)Br)=O)Oc3c(cc4C(C(OCC)=O)CCOc4c3)Cl	14
+c1c(cc(c(c1)CCN)Cl)Br	157
+C(O)(C(Nc1ccc(Cl)c(c1)Cl)C)=O	3
+c1c(cc(N)c(c1)N(C)CCO)Br	0
+c1cc(ccc1)Cc2c(Oc3ccc(F)cc3C(C)=O)nc4c(cc([N+]([O-])=O)cc4)c2	10669
+c1ccccc1-c2ccc(cc2)CC(C(OC)=O)NC(=O)c3c(O)ccc(Br)c3	259
+c1c(cc2C(NOc2c1)=O)Br	3582
+c1cc(ccc1F)COC=2C=CN(c3ccc(c(OC)c3)O)C(C=2)=O	1614
+c1ccccc1Nc2c(ccc(Br)c2)[N+](=O)[O-]	275
+c1cc(ccc1)CNc2cc(ccc2[N+](=O)[O-])Br	60
+c1(NCc2cncc(F)c2)c(ccc(c1)Br)[N+]([O-])=O	60
+c1cc(ccc1COC2=CC(N(C=C2)c3cc(NC)c(cc3)[N+]([O-])=O)=O)Cl	1614
+CC(c1cc(OCc2cc(c(cc2)Cl)Cl)ccc1)=O	139
+c1ccccc1COc2cc(C(C)=O)ccc2	139
+c1c(Oc2cc(C)ccc2)cc(cc1)CO	41
+c1ccccc1-c2cc(cc(C(NC)=O)c2)Br	134
+c1cc(ccc1-c2cc(cc(C(=O)O)c2)[N+](=O)[O-])C	134
+c1cc(ccc1)-c2cc([N+]([O-])=O)cc(C(=O)OC)c2	134
+c1c(cc2-c3nc(C(=O)O)sc3CCOc2c1)Br	6
+c1ccccc1COC(=O)Nc2c3[nH]cc(C4(CC)c5ccc(cc5CC4)F)c3ccc2	1263
+c1ccccc1CN2c3cc(ccc3OCC2=O)Br	1126
+c1c(cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2c1)CC(=O)O)Br	3
+c1cc2c(OCCC2O)cc1F	74
+c1c(cc2OCCCNCc2c1)Br	162
+c1c(cc2OCCc3c(sc(C(N(c4c(Cl)ccc(C(=O)O)c4)C)=O)c3)-c2c1)Br	1
+c1c(cc2OCCc3c(sc(C(=O)O)c3)-c2c1)Br	1
+c1cc(ccc1)Cn2c3ccc(Br)cc3c(c2C)C	190
+C1CC(CCN1C)c2c3c([nH]c2)ccc(c3)Br	671
+c1ccccc1COc2ccnc3c2cc(cc3)Br	260
+c1(ccc2c(c1)NC(=O)C(C)O2)Cn3ccnc3	2330
+c1c(cc2c3c(NC(=O)N3CC(C)OC)cnc2c1)Br	10670
+c1c(cc2c(c(cnc2c1)C(=O)O)NCC(C)OC)Br	6
+c1ccccc1CSc2cc3c(F)cnc(O)c3cc2	607
+c1ccccc1CSc2cc3c(c(O)ncn3)cc2	2039
+c1(N)nc(ccn1)-c2sc3c(cccc3)c2C	562
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4ccc(cc34)Br	3891
+c1c(cc2c(c1)N(C(C)CC2Nc3ccc(cn3)C#N)C(=O)C)Br	70
+c1cc(ccc1)C(Nc2nccc3c2ccc(c3)Br)=O	10671
+c12c(cnc(N)c1)cc(cc2)Br	2203
+c1c(ccc2c3ccc(cc3n(c12)-c4ccccc4)Br)Br	2246
+c1cc(ccc1)Cn2c3cc(ccc3cc2)Br	190
+c1cc(ccn1)-c2cc3c(ccnc3)cc2	498
+c1c(cc2c(c1)n(C3CCCCO3)nc2C(=O)O)Br	1
+c1c(cc2c(c1)nc(Cl)c(CO)c2)Br	269
+c1cnccc1-c2ccc3nc(ncc3c2)N	498
+c1cc(ccc1)-c2cc3ccsc3cc2	11
+c1ccccc1-c2ccc3c(c(CCC(OC)=O)c[nH]3)c2	11
+c1cc(ccc1)CN2c3ccc(C#N)cc3-c4c(cccc4)C2=O	10672
+c1c(cc2c(ncnc2c1)-c3cc(C(=O)O)ccc3)Br	6
+c1cc(ccc1F)-c2cc3c(ncnc3cc2)O	11
+c1c(oc2c1cc(cc2)Br)CC	2361
+c1ccccc1S(=O)(=O)n2c3c(cc(F)cc3)c4C(NCCc24)=O	367
+c1cc(ccc1S(=O)(=O)n2ncc3c2ccc(Br)c3)C	3123
+c1cc(ccc1C)Cn2c(C(OCC)=O)cc3c2ccc(Br)c3	190
+c1cc(ccc1[N+]([O-])=O)Cn2c(C(OCC)=O)cc3c2ccc(Br)c3	190
+c1ccccc1Cn2c3ccc(Br)cc3cc2C(OCC)=O	190
+c1c(cc2c(c1)n(C)c(CO)c2)Br	194
+c1cc(ccc1CNc2c(I)cc3c(n2)ccc(Br)c3)OC	554
+c1cc(ccc1)COC(=O)N2CC(CC2)Cn3ccc4cc(ccc34)Br	1854
+c1cc(ccc1)Cn2ccc3cc(Br)ccc23	190
+c1ccccc1S(=O)(=O)n2c3c(cc(Br)cc3)cc2	367
+c1c(cc2ccc(C(=O)C)nc2c1)Br	1867
+c1cc(ccc1-c2ccc3c(c2)ccc(n3)C(C)=O)C(=O)C	11
+c1c(cc2ccc(N)c(N)c2c1)Br	0
+c1c(cc2ccc3cnc(C)n3c2c1)Br	10673
+c1ccccc1COc2cc3nccc(c3nc2)Cl	1900
+c1(C=O)cc2nn[nH]c2cc1	39
+c1c(cc2nonc2c1)Oc3c(cccn3)C(=O)O	6
+CC(C)(c1ccc(cc1)CNC(=O)c2c(Oc3ccc4nsnc4c3)nccc2)O	56
+c1c(cc2nsnc2c1)Oc3c(cccn3)C(=O)O	6
+c1c(cc2sc(c(C(=O)OCC)c2c1)Nc3cc(ccc3[N+]([O-])=O)F)Br	10674
+c1c(cc2sc(c(C(=O)OCC)c2c1)Nc3cc(ccc3N)F)Br	0
+c1c(ccc(-c2oncc2CO)c1F)F	903
+c1c(ccc(-c2oncc2CCCO)c1F)F	95
+c1c(ccc(-c2oncc2CCC(=O)O)c1F)F	3
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5cc(CN)ccc5-c4n3)c1F)F	107
+N1c2c(cc(Br)c(Cl)c2)CCC1=O	2440
+c1cc(cc(OC)c1C#N)Cn2cncc2Cc3ccc(nc3)N4C=C(Cl)C=CC4=O	10675
+c1cc(ccc1CNC(C2=CN3C(=C(C)C(N(Cc4ccc(C(=O)OC)c(C)c4)C3=O)=O)S2)=O)F	1819
+c1cc(ccc1-c2sc(Cl)cc2NC(=O)OC(C)c3c(cc(cc3)F)F)-c4ccc(cc4)C5(CC5)C(=O)OCC	10676
+c1c(c(C(=O)c2cccc(OC)c2)ccc1F)F	335
+c1c(ccc(CCC(OCC)=O)c1F)F	159
+c1c(ccc(C=Cc2occ(COc3cccc(c3)CCCn4nncc4)n2)c1F)F	547
+c1cc(ccc1OCc2nc(oc2)C=Cc3ccc(cc3F)F)CCCCO	547
+c1cc(ccc1CN(c2c(c([N+]([O-])=O)ccc2)C=C)Cc3ccc(cc3F)F)Oc4cc(ccc4)OCC=C	507
+c1c(ccc(CCCN)c1F)F	51
+c1c(ccc(CCC#N)c1F)F	143
+c1c(ccc(CCC(=O)O)c1F)F	3
+c1cc(ccc1CC)C(=O)NCc2ccc(F)cc2F	14
+c1cc(ccc1O)CCC(N(CCC)Cc2c(F)cc(cc2)F)=O	10
+c1c(ccc(COC2=C(C(N(C(=C2)C)c3c(C)cnc(c3)C(=O)O)=O)Cl)c1F)F	1
+C(c1ccc(Cl)c(Br)c1)N	162
+N(C)c1cc(Cl)c(F)cc1	695
+c1(C=O)ccc(-n2ncnc2)c(F)c1	2267
+c1cc(C(C)C(O)=O)cc(N)c1N	0
+c1ccccc1CON2C(c3cc(c(Cl)nc3N(C2=O)c4ccc(cc4F)F)F)=O	10677
+c1cccc(N)c1C(Nc2ccc(cn2)Cl)=O	0
+c1cc(ccc1C(C(OC)=O)Oc2c(F)cc(F)cc2)S(=O)(=O)C3CCOCC3	2486
+c1cc(ccc1)COc2ccc(O)nc2	483
+c1c(ccc(Oc2cc(C(NC)=O)ccc2N)c1F)F	0
+c1c(N)c(cc(c1Br)Oc2c(cc(cc2)F)F)N	0
+c1(C)c(cc(c(Oc2ccc(cc2F)F)c1)Br)N	0
+O=Cc1cc(ccc1[N+]([O-])=O)C(=O)OC	39
+c1c(ccc([N+]([O-])=O)c1CO)C(=O)OC	59
+c1cc([N+]([O-])=O)c(-n2ccnc2)cc1F	431
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CCCO)CC2)=O)=O	168
+C(CCCc1cc(c(cc1)Cl)Cl)O	21
+c1c(ccc(c1F)-n2c(c(cn2)C(=O)O)N)F	6
+c1cc(ccc1)COc2ccc(C(C)=O)cc2OC	22
+c1ccccc1N2N(C(=C(C2=O)C(Nc3ncc(cc3)O)=O)C)C	10678
+C1CCN(C1)CCOc2ccc(cc2)Nc3nc4cc(C)cc(n4n3)-c5ccc6c(c5)OCCO6	490
+s1c(NC2C(O)CCCC2)nc3ccc(O)cc13	5
+c1ccccc1-c2c(ccc(OC)c2)-c3cc4c(c5ccc(Br)cc5n4-c6ccccc6)cc3	495
+c1cc(ccc1-c2cn3c(sc4cc(ccc34)O)n2)[N+](=O)[O-]	10679
+c1cc2nc(SC)sc2cc1Oc3c4c(cccc4)ncc3	242
+c1(nc2c(s1)cccc2)Oc3ccc4oc(C(OC)=O)cc4c3	1523
+c1c(cccc1-c2cc(O)c3c(c(O)cc(C(=O)O)n3)c2)C	1
+c1cc(ccc1)-c2cccc(c2)OCC(O)CN3CCc4c(C3)cccc4	11
+c1c2NC(=O)CC(c3cc(ccc3)C#N)=Nc2ccc1I	1222
+N1c2cc(-c3cc(ccc3F)F)ccc2N=C(c4cc(ccc4)C#N)CC1=O	1222
+N1(CC(c2cc(ccc2)O)CCC1)CC3COc4c(cccc4)O3	15
+c1c(cccc1C2NCCC2)OC	15
+c1cnccc1CN2CCCC2c3cc(ccc3)OC	171
+c1cc(ccn1)C=Cc2cc(Nc3ncccc3[N+]([O-])=O)ccc2	914
+c1ccc(cc1OCCC(O)C)CC(OC)=O	267
+c1ccc(O)cc1OCC=C	173
+c1c(OCCn2ncc(c2)[N+]([O-])=O)cccc1OC	338
+c1c(Oc2cc(Br)c(F)cc2N)cccc1OC	0
+c1cc(cc(O)c1)Oc2ccccc2[N+]([O-])=O	5
+Clc1ccc-2c(c1)COc3c-2ccc(OC)c3	3034
+c1c(cc(N)cc1)C(=CC#N)c2cc(c(OC)cc2)OC	0
+c1c([N+]([O-])=O)cccc1C(=O)c2ccc[nH]2	1873
+c1ccc(cc1C(Nc2c(cccc2)Oc3cc(c(C#N)cc3)C#N)=O)[N+]([O-])=O	50
+c1c([N+]([O-])=O)cccc1C(=O)c2cccn2C	1873
+c1cc(ccn1)NC(=O)c2cccc([N+]([O-])=O)c2	50
+c1c(cn2c(nc(C)c2C(O)=O)c1OCc3c(F)c(ccc3F)F)C	6
+c1c(cnc(c1F)CO)F	629
+c1c(cnc(C(C)Nc2nc(c3ccncc3n2)Nc4ncn(C)c4)c1F)F	798
+c1c(cnc(C(C)N)c1F)F	524
+c1ccccc1COc2ccc(cc2)C(c3c(F)cc(cn3)F)=O	10680
+c1cc(ccc1CO)-c2ccc(F)cn2	119
+c1cc(ccc1CC(c2ncc(CC(C)(C)CC)n2C)N(C)C(=O)OCc3ccccc3)-c4ccc(F)cn4	4185
+n1n(cc([N+]([O-])=O)c1)CC(=O)Nc2ccc(cn2)F	1114
+C(=O)(c1ccc(nc1)NC(c2cnc(Br)cc2)=O)O	1
+c1c(cnc(C(=O)O)c1F)F	1
+c1cc(ccc1Cl)-c2cc(cnc2)C(=O)OC	89
+n1cc(cc(c1)-c2nnc(CCl)o2)Br	2145
+c1cc(ccc1O)CNc2c(ncc(n2)Br)N	941
+c1(c(ncc(Br)n1)N)C#Cc2cccc(c2)O	2350
+C1CC(CCC1)c2nc(ccc2F)C(=O)O	1676
+c1c(nc(cc1)C(=NOCCC=O)C)C	24
+c1(N)cccc(-c2ccnc(n2)NCCc3ccc(c(OC)c3)OC)c1	0
+c1cc(ccc1CCNc2cc(nc(Cl)n2)C(OC)=O)OC	40
+c1cc(cc(CCNC2CCCc3nc(ccc23)C#N)c1OC)F	5036
+c1ccccc1Nc2ccc3c(nc(N)cc3)n2	201
+c1c2nc(CO)cn2c(cc1)F	1125
+c1c2c(cc(c1)CNc3c4ccccc4nc(c3)C)N(c5c(nccn5)S2)COC	1731
+c1cc(ccc1CNc2c3ccc(-c4cc(ncc4)C)nc3ccn2)-c5ccnc(c5)C	2791
+c1cc(cnc1C(=O)O)-c2ccc(cn2)C#N	1
+c1cc(ccc1OC(OC2CN(CC2)c3cnc(cc3)C(N)=O)=O)[N+]([O-])=O	405
+c1cc(ccc1OC)CNc2ncc3c(c(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)ncn3)c2	182
+c1cc(ccc1OC)CNc2ncc3c(c(Nc4ccc(c(Br)c4)F)ncn3)c2	182
+c1c(nccc1)CN(Cc2ccccn2)CC(NC3C(=O)N4C3SCC(COC(C)=O)=C4C(O)=O)=O	127
+c1cc(ccc1)N2C(=O)C(=C3COCCN23)C(=O)Nc4cc(c(Oc5ccnc(c5)C(N)=O)cc4)F	1349
+CCC(CO)Nc1ccncn1	511
+n1c2n(cc(Br)c1)cc(-c3c(Cl)ccc(NC(c4oc(cc4)C)=O)c3)n2	1129
+CC1(C)Cc2c(cc3c(oc(CC)c3)c2C(OC)=O)O1	1658
+c1cc(ccc1N(C)C)C(c2ccc3c(c2)cc(o3)CCN4C(C)CCC4)=O	705
+c1cc(ccc1C(=O)c2c(oc3ccc(cc23)F)CC)OC	3102
+c1(C)cc(N2CCNC2=O)sc1C(OCC)=O	10681
+c12-c3c(cccc3)C(c1cccc2)COC(N4CCC(CC4)(c5ccc(cc5)Br)C(=O)O)=O	613
+c1cc(ccc1)C(c2ccccc2)=Nc3cc4c(cc3)-c5sc(cc5CCO4)C(N(C)c6c(Cl)cccc6)=O	2017
+c1c2c(ccc1)C(=O)N(C2=O)CC(NCc3ccccc3)=O	9
+N1C(O)c2cc(F)c(cc2C1=O)F	5025
+C(C(=O)OC)C1c2ccccc2C(N(C)c3c1ccc(c3)O)=O	173
+c1c2C(CC(=O)OC)c3ccccc3C(N(C)c2cc(OCCCCNc4ncccc4)c1)=O	174
+c1c2C(c3ccccc3C(N(C)c2cc(OCCCCNc4ncccc4)c1)=O)CC(=O)O	4
+C1C(O)c2cnn(C)c2CC1	4242
+c1-2ccccc1N(CC)C(c3cc(cn-23)C=O)=O	200
+c1c2CC(Nc2ccc1C(c3cccc(NC(=O)c4cc(C)nn4CC)c3)=O)=O	187
+c1c2CC(Nc2ccc1C(c3cc(N)ccc3)=O)=O	0
+c1c2CCC(Cc2ccc1C(=O)OC)O	100
+c1cc(ccn1)OC2CCc3cc(ccc3C2)C(OC)=O	1372
+Ic1c2c(ccc1)nc(cc2)NC3CCc4ccccc34	554
+c1ccc2c(ccc(n2)NC3CCc4ccccc34)c1[N+]([O-])=O	554
+c1c2CCCC(N(C)Cc3nc4c(cccc4)n3CC(=O)O)c2ncc1	4
+c1c2CCCC(c2ccc1OCCn3ccnc3)=O	871
+c1cc(ccc1C=C2CCc3c(C2=O)ccc(OCCn4cncc4)c3)C(=O)O	1103
+c1ccccc1CC(C(OCc2ccccc2)=O)CC(N3Cc4cscc4C3)=O	731
+c1ccccc1S(=O)(=O)c2cnc(CNC(N3Cc4c(C3)n[nH]c4)=O)cc2	468
+O1COc2cc(O)c(cc12)C3C(=O)N(c4ccccc34)CC(=O)OCC	462
+c1cc(ccc1C#Cc2cc3c(cc2)N=C(CC(=O)N3)c4cccc(c4)C#N)OC	129
+c1c2NC(CCc2cc(c1)C=CCCCl)=O	2576
+c1cnccc1-c2c3c(NC4CC4)nc(nc3n(S(=O)(=O)c5ccc(cc5)C)c2)Nc6cc7c(NC(CC7)=O)cc6	55
+c1cc(cc2CCC(Nc12)=O)CCCl	165
+c12ccc(O)nc1ccc(c2)C=CCCCl	10682
+c1cc(CO)cc2CC(Nc12)=O	49
+c1c2NC(Cc2cc(-c3cnco3)c1)=O	2288
+c1c2NC(Cc2cc(C(=O)O)c1)=O	1
+c1cc(cc2CC(Nc12)=O)CCCl	165
+c1c2c(ccc1Oc3nc4c(s3)cccc4)cc(CO)[nH]2	398
+c12Oc3cc(C(=O)O)ccc3C(=O)c1cccc2	1
+c1c2c(ccc1)C3C(OCC(=O)N3)C2	467
+c1c2c(C(Nc3nc(c(Br)nc3C)C)C(O)C2)ccc1	5040
+c1c(c(OC)cc(c1N)CCNCCCN(C2Cc3c(ccc(c3)OC)CC2)C)OC	15
+c1c2c(CC(N(CCCNC(=O)Cc3c(N)cc(OC)c(OC)c3)C)CC2)cc(c1)OC	0
+c1cc(ccc1CN2C(C3(Cc4c(cc(cc4)[N+](=O)[O-])C3)NC2=O)=O)OC	10683
+c1c2c(CCCN(CCCN)C)c[nH]c2ccc1	51
+c1cc(ccc1)C(=O)NCCCN(CCCc2c3c(cccc3)[nH]c2)C	93
+c1c2c(CCCNCCOc3c(c(N)ccc3)N)c[nH]c2ccc1	0
+C1CC(CCN1C)c2c3c(cc4c(N(CC4)C(C)=O)c3)[nH]c2	671
+c1c2c(CCN3CCN(c4sc(C(O)=O)c(n4)C)C3=O)c[nH]c2ccc1	6
+c1c2c(CCN3CCN(c4nc(c(s4)C(=O)NCc5cnccc5)C)C3=O)c[nH]c2ccc1	454
+C1Cc2c(cccc2Br)C(N1C(=O)c3nn4c(ncc(c4)Br)c3)C	147
+C1Cc2ccccc2C(c3ccccc13)=C4CCC(CC4)N	102
+c1c2c(CCc3ccccc3C2CC(CN)O)sc1	18
+c1ccccc1CON2c3c(ccc(-n4cncc4)c3)NC(=O)C2=O	4761
+O=C1c2c(C(=O)N1Cc3ccc4c(c3)N(COC)c5c(nccn5)S4)cccc2	2397
+c1cc(ccc1)N2C(CCc3c2cccc3)=O	2331
+C(C[N+](=O)[O-])c1ccc2c(c1)NC(=O)C(C)O2	364
+c1c2C=C(C(O)=O)CCOc2ccc1	127
+c1(ccc(Br)c(Cc2cc3c(OCCO3)cc2)c1)I	394
+c1cc(ccc1C(Cn2c3c(c4cc(ccc24)C)CN(CC3(CC=C)C)C)=C)F	10684
+c1ccccc1C#Cc2ccc(OCCC)c(C(NC(CO)Cc3c[nH]c4ccccc34)=O)c2	14
+c1cc(ccc1)COC(n2c3c(cccc3)c(CC(O)=O)c2)=O	1825
+c1cc(ccc1Br)-c2cnc(nn2)NNC(Cc3c[nH]c4ccccc34)=O	355
+c1c2c(CCCNC)c[nH]c2ccc1	15
+c1c2c(COC2)c(C(=O)O)nc1	1
+C(OC(CCc1c2ccc(cc2sc1)OCCc3nc(NC)ccc3)=O)C	126
+c1c2nc(cc(Cl)c2ccc1OC)CO	453
+c12c(cccc1)c(nc(OCC)c2)Cl	174
+c1cc(ccc1OC)N2C=Cc3cc(ccc3C2=O)OC	10685
+c12ccc(Br)cc1c3c(ccc(Br)c3)n2CC(O)CCNc4ccccc4	10686
+c1cc(ccc1S(=O)(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)O)F	592
+c1ccccc1COC(NC(C(OCC)=O)CCC(NC(C(O)=O)Cc2c[nH]c3ccccc23)=O)=O	188
+C(CCC1Cc2c(ccc(Br)c2)C1)CCCCC	165
+c1cc2c(cc(Br)cn2)cc1COC	49
+C(CCCCCCCC)Cc1ccc2c(cc(cc2)OC)c1	213
+c1cc2c(cc1O)cc(C#N)cc2	5
+c1cc(ccc1Cn2c(cc3ccccc23)CN(C)C(c4ccc5c(CN(C(C(N5)C)=O)C)c4)=O)O	30
+c12c(CCC1)cc3c(c2)C(=O)OC3=O	3112
+c1cc2c(cc(C)n2C)cc1CO	98
+c1(ncccc1)C2=C(C(C)N)N=C3N(C(=CC=C3)C)C2=O	1764
+C1(c2ccccc2C(=O)N1C(c3cnc4ccccc4c3-c5ccc(cc5)F)C)=O	699
+c1ccccc1C=2c3c(-n4c(nnc4CN=2)CCN)ccc(F)c3	45
+[N+](c1cc(CN)c(Br)c(C)c1)([O-])=O	45
+CCCN(CCC)CCCCC1C(OC)c2ccc(cc2C1)CN	45
+CCN(C)Cc1cc2c(F)cccc2nc1CN	45
+c1cc(ccc1OC)N(c2nc(CN)nc3ccccc23)C	45
+c1ccccc1C=2c3cc(ccc3-n4c(CN=2)ncc4)Br	4926
+CN(C)S(=O)(=O)c1cc(OC)c(cc1)N	2505
+c1nc(ncc1)Cn2nc(N)cc2Br	1131
+c1cccc2CC(Cc12)(c3c[nH]cn3)CO	44
+c1c2c(C(Nc3nc(c(nc3CC)Br)C)C(O)C2)ccc1	5040
+c1cc(ccc1S(=O)(=O)OCC2COc3ccccc3C2)C	36
+c1c2c(C(C(C2)O)CO)ccc1	95
+c1c(cc(c(c1)C2c3c(cccc3)N(CCCCC)C2=O)O)Br	462
+NCCN1C(Nc2ccccc12)=O	18
+c1cc(ccc1-c2cc3c(ncnc3N4CCc5ccccc45)[nH]2)[N+](=O)[O-]	5041
+c1cc(ccc1)S(=O)(=O)N2CCc3ccccc23	416
+[O-][N+](c1cn(nc1)CCCN2c3c(cccc3)CC2)=O	713
+c1cc(ccc1-c2cc3c([nH]2)ncnc3N4CCCc5c4cccc5)[N+](=O)[O-]	5041
+c12c(N3CCCc4ccccc34)ncnc1ccc(I)c2	860
+c1c2c(cc(CCc3cccc(F)c3)cc2)ccc1	1442
+c1c2c(ccc1)cc(C=Cc3cccc(F)c3)cc2	3158
+CSc1cc2ccccc2cc1O	5
+c1cc(ccc1Cl)S(=O)(=O)Nc2c(Cl)nc3c(cccc3)n2	10687
+c1c2c(ccc1)nc(o2)N3CCCCC3C(O)=O	4
+c1cc(ccc1OC)C(c2ccc(cc2)OC)(OCC(CNc3c4ccccc4nc5c3cccc5)O)c6ccccc6	604
+O=C(O)c1c2c(n(c1)-c3c4ccccc4ncc3)cc(cc2)OC	1
+c1cc(ccc1F)C(=O)Nc2c(nc(Nc3c4ccccc4ncc3)s2)C(N)=O	3154
+c1cc(ccn1)C(Cn2c3ccc(cc3c4CN(CC=C)CCc24)C)O	2695
+n1c(COC(CCCCC)=O)nc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)cc1	185
+n1c(c2ccncc2nc1Oc3cc4c(cc3)n(cc4)C)O	5042
+c1c2c(ccc1OC(SC)C(=O)O)ncc(c2)Br	4
+S(c1[nH]c2c(ccc(OC)c2)n1)Cc3cccc4CCCN(C)c34	3089
+c1cc(ccc1F)-c2c3c(cc(OC)cc3)cc(n2)Nc4ccn[nH]4	140
+c1c2c(ccc1OC)c(Cl)ncc2	174
+c1cc(ccc1C(OC)=O)-c2cc3c(nc2)cc(cc3)OC	89
+c1c2c(ccc1OC)cc(c(n2)-c3ccsc3)C(=O)O	1
+c1(C(=O)O)cnc2cc(OC)ccc2c1	6
+c1c2c(ccc1OC)nc(Cl)c(C#N)c2	1453
+c1c2c(ccc1O)ncc([N+]([O-])=O)c2	5
+c1c2c(ccc1O)ncs2	5
+c1cc(ccc1N)CCNc2ncnc3c2ccc(OCCCCl)c3	40
+c1c(Oc2nc3c(s2)cccc3)ccc4cc(C=O)[nH]c14	178
+C(Cc1c(C)ccc2c1cccc2)(O)C	100
+c1c2c(cccc2)c(c(C)c1)CC(C)=O	10688
+c1ccccc1Cn2c3cccc(c3cc2CC)OC	190
+c1cc(c(cc1Cn2c(C(=O)OCC)cc3c2cccc3N)Cl)Cl	0
+c1c2c(csc2ccc1)C=Cc3ccc(s3)CO	1364
+c1cc(ccc1Cn2nc(c3ccccc23)CC(=O)OCC)[N+](=O)[O-]	823
+c1cc(ccc1Oc2nc3cnccc3c(n2)O)N(CC4c5ccccc5CCC4)C	5042
+c12c(cccc1)C(=O)N(C2=O)CCCCc3oc4c(ccc(c4)C(=O)OCC)c3	966
+c1ccccc1CCNc2ncnc3sc(cc23)C(OCC)=O	1108
+c1cc(ccc1)Cn2c(c3c(n2)c4c(cc5CCCCc5c4)nc3O)C	4783
+c1(O)cc2c3ccccc3c4c(cccc4)c2cc1	5
+c1cc(ccc1F)-n2ncc3cc(I)c(C)cc23	1708
+c1ccccc1COc2c3c(cccn3)c4C(CCl)CN(C(=O)c5[nH]c6c(c5)cc(OC)cc6)c4c2	2677
+Nc1c(N)nc2ccc(cc2c1)OC	13
+n1ccccc1NCCCOc2cc3cc([nH]c3cc2)CC(C)C(OC)=O	126
+c12c3c(CCn3cc1)ccc2	4762
+c12cc(Oc3ccnc(n3)Cl)ccc1[nH]cc2	185
+c1c2ccc(-c3c(Cl)cc(C#N)cc3)nc2ccc1O	274
+c12c(cccc1)ccc(c2)OCCCCCCCCCl	450
+c1nc(ncc1COc2ccc3c(ccc(O)n3)c2)Nc4ccc(cc4)Cl	2171
+c1c2ccc(nc2ccc1O)C(=O)O	5
+c1nc(cc2c1cccc2)CCN	18
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCCO)c1	44
+c1c2ccccc2cc(Cc3nc4cc(ccc4o3)CCC=O)c1	24
+n1(Cc2noc(-c3sc(Cl)cc3)c2)c4ccccc4cc1C(=O)O	1
+c1c(CO)c2c(CCCN2)cc1	1352
+O(c1cc2cccnc2cc1)c3ncnc(Cl)c3	185
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCN(CC3)CC(COc4cc5cccnc5cc4)O)=O	170
+c1cc(ccc1N2CCN(CC2)C)Nc3ncc4cccc(c4n3)Br	744
+c1c2n(CC)cc(c2c(cc1F)O)CC(=O)O	4
+c1ccccc1COc2c3nc(-c4n5ccc(cc5nc4)OCCOC)ccc3ccc2	10689
+c1c2n3c(c4cc(O)ccc4c2ccc1)ncc3	5
+c1ccccc1COc2ccc(cc2F)-n3c4cc(F)cc(c4cn3)Br	1708
+c1c2nc(C(=O)O)cn2c(Cl)cc1	6
+c1cc2nc(oc2cc1CO)C	98
+c1c2ncc(n2ccc1OCCOC)C(=O)O	6
+c1cc(ccc1)Nc2c3c(cccc3)ncc2	179
+c1c(cc2nccc(Cl)c2n1)O	390
+c1cc(ccc1Oc2c3c(ncc2)cc(cn3)OC)N	10690
+c1c2nccc(c2ccc1OCCO)-c3c4n(nc3-c5ncccc5)CCC4	168
+C1Cc2ccc(OC)cc2NC1	1352
+c1c2ncn(-c3cc(c(C(=O)O)s3)OCc4ccccc4C)c2ccc1	1
+c1ccccc1CNC(=O)c2sc(-n3cnc4ccccc34)cc2OCc5ccccc5C	227
+c1c2ncn(c2ccc1)-c3sc(C(CCCC)O)cc3	2389
+c12c(ncnc1cc(OC)c(c2)O)O	5
+C(F)C(CF)(C)c1cc(NC(Nc2cc(Sc3ncnc4cc(OC)c(cc34)OC)ccc2)=O)on1	446
+c1ccccc1-n2c(NC(=O)Nc3cc(Sc4ncnc5cc(OC)c(cc45)OC)ccc3)cc(CC)n2	446
+c1cc(ccc1F)CC(c2cccc(S(=O)(=O)C)c2)C(Nc3nc4c(cccc4)o3)=O	10691
+c1(nccc2OCOc12)CO	813
+c1cc(ccc1)-c2nn3ccc(cc3c2C(C)=O)OC	10692
+c1cc(ccc1F)COc2cc[n+](cc2)[O-]	1210
+c1cc(-c2oc(-n3c(ncc3)C)nc2CCCCO)c4c(cccc4)c1F	44
+O=C(CNC(=O)c1c2c(cc(-c3cc(F)c(cc3)F)c1O)nc(cn2)-c4sccc4)O	3
+C(c1c(c(cc2c1ncc(n2)-c3sccc3)-c4cc(F)c(cc4)F)O)(O)=O	1
+c1(-c2cn3CCCCc3n2)cc(OC)c(-c4ncccc4)cc1	3035
+c1cc(ccc1F)C(O)Cc2cc(ccc2OC)-c3cccs3	3151
+c1cc(-c2oc(-n3c(ncc3)C)nc2CCCCOc4c(C)cccc4)c5c(cccc5)c1F	20
+c1cc(-n2cnc(CO)c2)ncc1Br	1125
+c1(ccc(Br)c(Cl)n1)C(=O)OC	174
+c1ccccc1Oc2c([N+](=O)[O-])c(OC)ccc2Br	46
+C(O)c1c(ccc(CBr)c1)Br	49
+c1cc(ccc1Oc2c(ccc(F)c2)Br)C=O	46
+c1cc(Br)nc(C(=O)O)c1OC	1
+Nc1c(nc(cc1)Br)Nc2ccnc(Cl)c2	13
+c1cc(ccc1OCCN(CC)CC)C#Cc2ccc(Br)cn2	943
+c1cc(ccc1CO)CCC#Cc2ncc(Br)cc2	769
+c1cc(ccc1Nc2ccc(cn2)Br)Cl	1759
+c1cc(ccc1OCCN2CCCC2)C#Cc3ccc(Br)cn3	943
+c1c(Cn2ccnc2)cnc(c1)Br	10693
+c1c(c(C#N)cc(CO)c1)C#N	10694
+c1(C)c(ccc(C#N)c1)O	173
+c1c(OCCO)c(N)cc(C#N)c1	0
+c1cc(c2NC(=O)Sc2c1C(=O)C)O	5
+CCCCCCCCCCCCc1sccc1	2501
+c1cc(ccc1NC(=O)c2cc3c(cc2)cccc3)Cn4c5c(c(n4)CC(=O)OC)cccn5	50
+c1cc(CO)cc([N+]([O-])=O)c1OCC	49
+C1CCCCN1S(=O)(=O)c2ccc(cc2)CNC(=O)c3ccn4nccc4c3	14
+c1cc(ccc1C(=O)Cn2c(ccc2C(=O)OC)Br)OC	10695
+c1cc(C(=O)O)cc2OC(=S)Nc12	1
+OCc1ccc(cn1)C(=O)OC	398
+c1cc(C(=O)c2c(C)n(c3ccccc23)CCNc4ccc(c(O)c4)C(OC)=O)c5c(cccc5)c1	5
+c1cc(c2c(c(C)co2)c1OC)C(=O)c3sccc3	10696
+c1cc(C(=O)c2sccc2)c3oc(C(=O)O)c(c3c1OC)C	6
+OC(C#CC(c1ccc2c(OCO2)c1)=O)=O	10697
+c1c(cc2OCC(c2c1)=O)F	702
+c1ccccc1-c2ccc(cc2)NC(c3ccc(OC)c([N+]([O-])=O)c3)=O	50
+c1c(OCCOC)c(N)cc(C(Nc2c(C(=O)N)nc(s2)Nc3cc(F)ncc3)=O)c1	0
+c1ccccc1COC(Nc2c(cccc2)CCc3c(C(O)=O)cccc3)=O	90
+s1c(Nc2c(C)cccc2)nc(C=O)c1	1348
+c1cc(C)c(cc1)C(c2ccccc2C)N3C=CC=C(C(=O)O)C3=O	127
+c1cc(ccc1NC(Nc2c(C)cccc2)=S)-c3ccc4C(=O)N(Cc4c3)C(C(OC)=O)C(C)C	10698
+c1(oc2c(c1)cc(C)cc2)C(=O)OCC	5043
+c1(ccc(C)n1-c2nc(c(OCc3ccccc3)c(C)c2)C)C	483
+c1ccccc1CCc2nc(cc(C)c2)-n3c(ccc3C)C	10699
+c1c(F)c(c(cc1-n2c(ccc2C)C)F)C3=CCSCC3	252
+c1ccccc1COc2cc(OC)c(cc2CC)-c3cccc(-n4c(ccc4C)C)n3	119
+c1cc(ccc1OC(=O)OCc2cnc(C)cc2)[N+]([O-])=O	10700
+c1cc(C)ncc1CO	88
+c1cc(cc(N)c1OC)C=CCO	2219
+c1cc(CC[N+](=O)[O-])cc(C)c1OC	364
+[O-][N+](CCc1cc(c(OCc2cccc3ccccc23)cc1)OC)=O	364
+c1cc(ccn1)-c2cn3c(c(N4CCOCC4)cc(NN=Cc5cccc(C(C)CCCC)c5)n3)n2	878
+c1(ccccc1Oc2cc(ccc2OC)CC)C	304
+Nc1c(cc(CC)cc1)C(=O)O	5044
+c1cc(cc(Br)c1OC)CCN2C=CC=CC2=O	10701
+c1ccccc1C(c2ccccc2)(C3CN(CC3)CCc4cc5c(cc4)CCC5)C(=O)N	28
+CCn1c(cc(C)n1)CCCNC(=O)CCc2ccc(C)c(C)c2	9
+c12cc(OC)c(cc1CCC2=O)CCCCCC	214
+N1c2cc(ccc2CCN(C)CC1=O)F	1089
+c1cc(cc(C)c1OC)CCN	157
+c1cc(ccc1)SCCCOc2c(c(Cl)c(O)nn2)NCc3cccnc3	4341
+c1cc(ccc1C(CCC(NCc2cccnc2)=O)=O)Oc3ccc(c(c3)CC)OC	9
+c1ccccc1CCCc2cn(nn2)-c3sc(C(NCc4cnccc4)=O)c(C)n3	454
+c1cc(CN2C(C=3C(=C(N(CCCCNC)C(C=3O)=O)C(O)=O)CC2)=O)cc(Cl)c1F	127
+c1cc(CN2C(=O)C=3C(=C4C(=O)N(C)CCCCN4C(=O)C=3O)CC2)cc(Cl)c1F	10702
+c1cc(CNc2nc(SC)ncc2CO)cc(Cl)c1OC	897
+n1cccnc1CNC(=O)c2c(NCc3ccc(c(c3)Cl)OC)nc(nc2)SC	484
+c1cc(CNc2nc(SC)ncc2C=O)cc(Cl)c1OC	1195
+c1ccccc1CSc2nc(c(C(=O)OC)c(n2)NCc3ccc(c(c3)Cl)OC)Cl	1721
+c1c2NC(Cc2cc(C=O)c1)=O	39
+c1(cc(Br)c(Cl)cc1)C=O	39
+c1cc(ccc1OC)C(=O)c2cc(I)ccc2Cl	222
+Nc1c(Cl)ccc(CO)c1	0
+c1cc(Cl)c(N)cc1I	0
+c1cc(Cl)c(c(Cl)c1OC(C)C(=O)O)C	3
+c1cc(Cl)c(N)c(c1OC)Cl	0
+c1cccc2c1n3c(-c4cc(ccc4Cl)Cl)nc(C)c3c(n2)C	10703
+C(OC(C1c2c(n(CCF)c3cccc(OC)c23)CCC1)=O)C	2207
+c1cc(Cl)nc2c1NCC2	15
+c1(cc2C(CCCc2cc1Br)=O)F	214
+c1cc(ccc1N2C=CC=C(F)C2=O)-n3cc(nc3)CNC(c4sc(cc4)Cl)=O	10704
+c1cc(F)c(c(F)c1OCc2nc3cc(ccc3s2)CCC)C(=O)N	732
+O=Cc1c(OC)c(ccc1F)O	5
+c1c(C(=O)O)ccc(F)c1OCC	6
+c1cc(ccc1)CNc2c(ccc(c2)C3C(C(OCC)=O)C3)F	250
+c1cc(F)cc(N2C(SCC(=O)OCC)=Nc3scc(c3C2=O)-c4ccccc4O)c1	5
+O=C1C=CC=CN1c2ccc(I)c(F)c2	3044
+c1ccccc1-c2sc(CCCOC)c(n2)C(=O)Nc3ccccc3-c4nc5c(nccc5)s4	10705
+c1cc(ccc1C)-c2ccccc2N	134
+[nH]1c(-c2nccnc2N)nc3c1cccc3	10706
+c1cc(ccc1-c2n(c3c(n2)cccc3)C)NC	3226
+CCN1C(Nc2ccccc12)=O	1019
+CN(C)C(Cc1c(N)cccc1)c2c(ccs2)C	695
+c1cc(ccc1)C=CC(Nc2ccccc2F)=O	324
+c1ccccc1NC(=O)Nc2ccc(cc2)Oc3ncnc(Nc4c(cccc4)F)c3	73
+c1ccccc1Oc2ccccc2Cn3nc(C(Nc4c(F)cccc4)=O)cc3	772
+c12-c3c(cncn3)CCCc1[nH]cc2C(Nc4c(cccc4)F)=O	10707
+c1cc2c(Nc3cc(n(c3C(N2)=O)C)C)cc1	10708
+c1cc(N2C(CCC2)c3cc(cc(F)c3)OCCOC)nc4c(cnn14)C(=O)O	6
+c1cc(N2C(CCC2)c3cc(ccc3F)F)nc4c(cnn14)C(=O)O	6
+c1cc(N2C(Nc3c(OC)c(c(c(F)c23)F)N)=O)c(F)cc1I	0
+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(cnn14)C(=O)O	6
+c1cc(N2C(c3cc(F)cnc3)CCC2CO)nc4c(cnn14)C(=O)O	6
+N(C)C(COC(=O)N1CCCN(c2ccc(Br)cn2)CC1)=O	1011
+c1cc(ncc1Br)N2CCOC2=O	10709
+c1c(OC)c(Br)cc(N)c1	106
+c1cccc2C(=O)N(C(=O)c12)CCN(CCOc3c(F)nccc3)CC	1286
+c1cc(ccc1OC)CN(S(=O)(=O)c2cccc(Oc3cc(-c4ncnc5c(cccc45)Cl)c(cc3)Cl)c2)C	304
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4ccccc34)(c5cc(c(F)cc5O)F)O)=O	1115
+c1cc(ccc1Cl)-c2cnc(Oc3cnccc3)nc2-c4c(cc(Cl)cc4)Cl	3863
+c1cc(ccc1)Sc2cnc(cc2)O	10710
+c1cc(ccc1Cl)CN2C(=O)C=CC(Br)=C2	4659
+c1cc(cc(N)c1OC)OC(OCC)=O	0
+c1cc(ccc1C(c2ccc(OC)c(c2)F)=O)Br	1217
+c1ccccc1CNC(=O)c2cc(Br)ccc2OC	14
+c1ccccc1COc2c(ccc(Br)c2)OC	22
+c1ccccc1Oc2ccc(F)cc2NCc3c(OCCOC4OCCCC4)ccc(c3)OC	208
+c1ccccc1COCCCN2C(Nc3c(cc(OC)cc3)C2=O)=O	10711
+c1c(cc2c(oc(c2N)C(=O)N)c1)Br	10712
+C1(Nc2c(OC1)ccc(OCCBr)c2)=O	2729
+c1c(c(c(cc1)N)C#N)OCCCCCCCCOC(=O)C	0
+c1cc(OC=C)c(Cl)cc1Br	5034
+C(COc1c(OCCOC)cc(CO)cc1)OC	98
+S(c1cnc(Cl)cc1)c2c(F)cccc2	10713
+N(c1cc(CCOc2ccc(c3ccccc23)N)ccn1)C(C)=O	0
+O=[N+](c1ccc(Cl)nc1Nc2c(Cl)cc(OC)c(OCc3c(F)c(ccc3OC)F)c2)[O-]	201
+Nc1ccc(Cl)nc1N	13
+C(c1ccc([N+]([O-])=O)c(c1)F)C(=O)O	4
+n1c(Cl)c2c(nc1Nc3cc(ccc3[N+]([O-])=O)F)N(C4CCOc5c(F)cccc45)C(=O)N2	490
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c(n(C4CCCCO4)nc3)cc2C(=O)O	6
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(C(=O)O)s3	1
+c1c(Oc2c3c(ncc2)cc(S(=O)C)s3)c(F)cc(N)c1	0
+c1cc(ccc1-c2sc3c(nccc3Oc4ccc([N+]([O-])=O)cc4F)c2)CO	4982
+c1c(Oc2cc3c[nH]nc3cc2)c(F)cc(N)c1	0
+c1c(Oc2cnc(O)cc2)c(F)cc(N)c1	0
+c1cc([N+]([O-])=O)cc(F)c1Oc2cnc(O)cc2	104
+c12cc(-c3cc(ccc3)[N+]([O-])=O)ccc1c(cn2-c4ncnc(c4)Cl)Br	2186
+c1c2c(ccc1-c3cc(N)ccc3)ccn2-c4ccnc(n4)N	0
+c1c(NC=2C=3C(=O)N(CC=C)N=C(c4cc(N)ccc4)C=3N(C(=O)C=2Cl)C)c(F)cc(I)c1	0
+c1ccccc1N2N=C3C(CCc4ccc(cc34)[N+]([O-])=O)CC2=O	10714
+c1c2c(OCCN2)cc([N+]([O-])=O)c1	15
+c1cc(ccc1)COC(=O)N(CCCN2C(=O)COc3cc([N+]([O-])=O)ccc23)c4cccc[n+]4[O-]	10715
+C1CC(n2nc(c3cc(N)ccc23)-c4[nH]c5c(cccc5)n4)OCC1	0
+c1cc(ccc1)COC(Nc2ccc(cc2)Oc3cnc(cc3)[N+]([O-])=O)=O	706
+c1ccccc1CNc2ccccc2-c3[nH]c(c(c3)C(N)=O)C	208
+c1cc(c(-c2coc(n2)CCCC(=O)O)cc1)N	4
+c1(ccc(OC)cc1OC)-c2cccc(C(Nc3ccccc3-c4sc(CC(OC)=O)cc4)=O)c2	50
+c1cc(c(cc1Br)COC)OCc2cccs2	49
+C=1c2c(c(C(=O)OC)cc(I)c2)OC(C=1)C	1318
+c1ccccc1C#Cc2cc(C(=O)OC)c(OCCC)cc2	129
+c1cc(ccc1F)C(O)c2c(C)cc(cc2)F	257
+c1cc(ccc1)Oc2cc(C)c(cc2)[N+](=O)[O-]	46
+c1cc(ccc1C)S(=O)(=O)Nc2c(C(OC)=O)cc(cc2)Oc3cc(C)c([N+](=O)[O-])cc3	46
+c1cc(ccc1C=O)Oc2cc(c([N+](=O)[O-])cc2)C	46
+n1(-c2ccc(c(C)c2)[N+]([O-])=O)ccnc1	431
+c1cc(c(C)nc1C)OCCOc2cc3CCC(CC(=O)O)c3cc2	3
+c1cc(c(cc1Br)CN(c2ncc(cc2)C(=O)OC)CC)OCc3cccs3	5045
+Nc1c(C(=O)O)c(c(cc1)[N+]([O-])=O)CC	5044
+c1cc(ccc1OCc2cc(Cl)c(cc2)Cl)C=O	139
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(N(S(=O)(=O)C)c4ccc([N+]([O-])=O)c(Cl)c4)cc3o2)C5CC5	3058
+c1cc(ccc1-c2ccc(c(Cl)n2)C#N)N	140
+c1c(Cl)nc(Cl)c(C(C)O)c1	652
+c1ccccc1Nc2c(ccc(Cl)n2)C(O)=O	201
+c1cc(c(F)c(Nc2c(F)cc(cc2)CCCO)c1C(=O)NOCCO)F	213
+c1cc(c(F)c(Nc2c(F)cc(C#CCO)cc2)c1C(=O)NOCCO)F	10716
+c1cc(c(F)c(Nc2ccccc2F)c1C(=O)NOCC(CO)O)F	1762
+O=C(c1ccc(cc1C)-c2ccc(c(F)c2)Nc3nc4c(cc(F)cc4)s3)O	1
+c1c(OCCCl)c(I)cc(c1)CCCO	267
+c1(c(N)c(Br)ccc1OC)N	0
+N1c2cccnc2NCC1=O	1530
+c1cc(ccc1Cl)NC(=O)c2c(SCc3c4c(cccc4)ncc3)nccc2	246
+c1ccccc1C(C)(C)c2cc(C(C)(C)c3ccccc3)c(O)c(c2)N=Nc4c([N+]([O-])=O)cccc4	10717
+c1(c2ncccc2ccc1C(=O)c3c(C)cc(F)cc3)[N+](=O)[O-]	335
+Nc1cc(ccc1O)CC(OC)=O	0
+Nc1cc(ccc1O)CCC	0
+n1cnc(Nc2c(Cl)cc(OC)c(OCc3c(F)c(ccc3OC)F)c2)c(c1Cl)[N+](=O)[O-]	73
+c1cc(c(c(F)c1OCC(=O)O)NCc2c(c(cc(-c3cc(F)ccc3)c2)C)C)F	3
+c1cc(C2=CC=C([Se]2)CCC)c(c(F)c1OCC)F	5046
+c1cc(ccc1)COC(N(C)CCCC(=O)Nc2c(N)c(ccc2OC)OC)=O	33
+c1cc(c(c(N)c1OC)N)OC	0
+c1ccccc1COc2c(ccc(C=O)c2Cl)OC	139
+c1cc2cc[nH]c2c(C)c1[N+]([O-])=O	1452
+c1cc(ccc1F)C(C(=O)NN=C2C(Nc3ccc(c(Cl)c23)C(O)=O)=O)C	4857
+c1c2c(c(N)c(Nc3cccc(C#N)c3)c1)cccc2	0
+c1c2c(NC(OCC2)=O)ccc1	10718
+c1cc(c(N2C=CC(Cl)=C(C#N)C2=O)cc1)C	10719
+c1cc(ccc1C(O)c2cc(ccc2OC)Br)Br	257
+c1ccccc1CC(NCc2cc(ccc2Oc3cccc(c3)CC(OC)=O)Br)C	42
+c1ccccc1CNCc2cc(ccc2Oc3cccc(c3)CC(OC)=O)Br	42
+c1cc(c(cc1Br)CN(c2ncc(C(=O)O)cc2)CC)OCc3cccs3	1
+c1cc(c(CO)cc1Br)OCc2cccs2	88
+c1cc(c(cc1C(CCC(=O)N)=NOC)Cl)Cl	5047
+OCC(CCOC1OCCCC1)c2ccc(c(c2)Cl)Cl	237
+c1cc(c(cc1C(CCC#N)=NOC)Cl)Cl	143
+c1cc(c(cc1CN2C(CCNc3nc4c(c(O)c3)cccc4)CCCC2)Cl)Cl	460
+c1cc(c(cc1CN2C(c3cc(N)ccc3N=C2)=O)Cl)Cl	0
+c1cc(c(cc1CN2CCOC(C2)CNC(=O)CSc3scc(n3)CO)Cl)Cl	1171
+n1c(SCC(=O)NCC2CN(CCO2)Cc3ccc(c(c3)Cl)Cl)scc1C=O	1348
+c1cc(c(cc1Cn2c3c(c(c(cc3)OC)O)cc2C(OC)=O)Cl)Cl	173
+c1cc(F)cc(c1C(c2ccc(F)cc2C)=C(C=CC=O)c3n(C)nnn3)C	5019
+C1C(Nc2cc(ccc12)F)=O	1089
+c1cc(c(CO)cc1I)OC	41
+Nc1cccnc1NC	13
+c1ccccc1COc2c3NC(=O)Sc3c(cc2)C(C)=O	22
+c12occ(C)c1c(ccc2C(=O)c3sccc3)O	5
+C1C(C)=Cc2cccc(-c3ncccc3)c12	4262
+c1cc(c2c3c(n(c2c1)Cc4c5ccccc5ccc4)cccc3OCC(O)=O)C(=O)N	4
+COc1cccc2nccc(c12)O	3005
+c1cc(ccc1)CNC(=O)N(CC)Cc2cc(-c3cnn(c3)C)ccc2-c4c(OC)ccc(c4)CC(OCC)=O	384
+c1cc(ccc1)COC(N(Cc2c(ccc(c2)[N+]([O-])=O)-c3c(OC)ccc(CC(OCC)=O)c3)CC)=O	66
+c1cc(ccc1)COC(=O)N(CC)Cc2cc(F)ccc2-c3c(OC)ccc(CC(OCC)=O)c3	66
+c1(O)cccc(-n2ncc3c2cccc3)c1	5
+c1cc(CN)cc(Br)c1OC	107
+c1cc(CO)cc(Br)c1OC	49
+c1cc(ccc1CN2C(=O)N(CC(c3ccc(OC)c(c3)Br)=O)C(c4c2sc(c4)CC)=O)-c5c(C#N)cccc5	1833
+c1cc(cc(c1OCC#C)C(=O)O)C(=O)C	1
+c1cc(cc(C)c1Oc2cnc(C)cc2)Nc3ncnc4c3C=C(C(=O)O)CCN4	127
+Nc1cccnc1Nc2cc(F)c(cc2)C#N	13
+c1cc(-c2cc3nc(cnc3c(C(=O)OC)c2O)-c4sccc4)cc(F)c1F	5
+c1cc(cc(F)c1Oc2cc3c[nH]nc3cc2)Nc4nc(ncc4)N	511
+c12cc(ccc1NC(=O)N2)C	2280
+c1cc(cc(N)c1OC)CCCO	374
+c1cc(ccc1)N2C(C(Nc3ncnc(N)c3C(Nc4cc(ccc4OC)C(N)=O)=O)C)=Nn5ccc(c5C2=O)C	40
+Cc1cc(n[nH]1)Nc2c3ccccc3nc(n2)C(=O)c4cc(c(F)cc4)O	5
+c1cc(cc(OCCCOC)c1OC)C(=O)O	1
+c12ccccc1CC(c3ccc(cc3O2)F)=O	214
+c1c(N)c(ccc1C2=CC(=O)c3ccc(c(c3O2)OC)OC)N	0
+c1cc(c([N+]([O-])=O)cc1CC(OC)=O)O	5
+c1cc(F)cc(N)c1OC	0
+c1(SC)ccc(cc1N)C(Nc2cnc(cc2)-c3ccccc3F)=O	0
+C(Oc1ccc(c(c1C)NCc2c(F)ccc(c2)-c3cc(ccc3)F)F)C(=O)O	3
+c1cc(cc(c1)F)-n2c(C(O)=O)c(c3ccccc23)C#N	1
+c1cc(cc(c1)F)-n2c(C(N)C)cc3ccccc23	18
+c1cc(ccc1)COc2c(cc(cc2)C=CC(c3c(O)cc(cc3)OCOC)=O)OCOC	307
+C1CCC(C1)c2c(OC)ccc(F)c2	191
+c1cc(ccc1)C#CC(c2cc(F)ccc2OC)O	1471
+c1cc(O)c(cc1C2C(CC(OC)=O)C2)F	5
+c1cc(ccc1NC(=O)C)SCCCOc2cc(ccc2OC)Cc3cnc(nc3N)N	72
+c1cc(ccc1CNC(CCc2ccc(OCC#C)c(OC)c2)=O)C(OC)=O	68
+c1cc(cc(c1OCC#C)OC)CCC(=O)O	3
+c1(c(N)ccc(Oc2ccc(cc2C#N)F)c1)C	0
+c1cc(cc2C(Oc3cc(OCC(OC)=O)ccc3)CCc12)-c4cc(ccc4)F	20
+c1cc(cc2C(Oc3cc(OCC(=O)O)ccc3)CCc12)-c4cc(ccc4)F	4
+C(c1ccc2c(ccc(F)c2)c1)O	611
+C(c1ccc2cc(OC)ccc2c1)O	49
+c1cc(C(=O)O)cc2ccnn12	1
+c1ccccc1-c2c[nH]c(n2)C(N)C	102
+C1CC(CCC1C(O)=O)c2ncc(-c3ccccc3)[nH]2	4
+c1cc(ccc1)-c2c(C(O)=O)cc[nH]2	6
+c1cc(ccc1)-c2c3cc(c(C)cc3[nH]n2)N	0
+c1cc(ccc1)-c2c(cccc2)-c3c(c(CC=C)cc(F)c3)O	423
+c1cc(ccc1F)-c2c(c(C(=O)NCc3ccc(cc3)F)n(c2C=O)C(C)C)-c4ccccc4	81
+c1cc(ccc1)-c2c(-c3ccccc3)nc(N(C(C)C)CCCCOCC(=O)NS(=O)(=O)c4ccc(cc4)C)cn2	344
+c1cc(ccc1)-c2c(C(=O)Nc3ccc(cc3)S(=O)(=O)N4c5ccccc5SC(C=C4)CCO)cccc2	50
+c1cc(ccc1)-c2c3cc(ccc3nc(c2C(=O)O)CC(C)C)Br	1
+c1cc(ccc1)-c2c(nc3c(cc(F)cc3)c2C(=O)O)C(C)Nc4c(c(N)ncn4)C#N	1
+c1cc(ccc1)-c2cc3CCCCn3c2C(=O)C(Nc4ccc(cc4)N5CCN(CC5)CC(=C)C)=O	2678
+C1Oc2ccc3-c4ccccc4C(=O)c3c2C1	358
+c1ccccc1-c2c(C(OC)=O)c3cc(F)ccc3nc2C(N)C	18
+c1cc(ccc1)-c2nc3c(c(c2C)C(=O)NNc4ccccc4)cccc3	898
+c1cc(ccc1C=O)Oc2c(-c3ccccc3)c(C)cc4cc(ccc24)OC	46
+c1cc(ccc1)-c2c(C)n(-c3ccc(cc3)CCNC(Oc4ccccc4)=O)nc2C	101
+c1cc(ccc1)-c2c(C)nn(-c3ccc(cc3)CCN)c2C	18
+c1ccccc1C(Nc2cnc(c(C3=NN(C(C)C)C(=O)C=C3)c2)-c4ccccc4)=O	660
+c1ccc(Cl)c2c1-c3ccccc3C(=O)CCC2	94
+c1ccccc1-c2nc3c(c(C(O)=O)c2CN=[N+]=[N-])cccc3	1
+c1cc(ccc1)-c2c(COc3ccc(cn3)C(=O)O)c(on2)C	1
+c1cc(ccc1)COC(=O)c2nc(Cc3c([nH]c4cc(ccc34)OC)-c5ccccc5)ccc2	470
+c1ccccc1-c2c(F)cc(O)c(c2)C(=O)NCc3cc(ccc3)[N+](=O)[O-]	5
+c1cc(ccc1)-c2c(N)nc3ccc(C(O)=O)cn23	1
+c1cc(ccc1)-c2c(N)nc3ccc(cn23)C(c4ccc(cc4)F)=O	3060
+c1ccccc1-c2c3n(c(nc3ccc2)-c4ccccc4)-c5ccccc5C(C)C	10720
+c1cc(ccc1)-c2nc3c(nc2)cc(c(O)c3C(O)=O)-c4ccccc4	1
+c1(cc2c(cc1)c3c([nH]2)cccc3)C#N	1223
+c1ccccc1-c2c(c3c(c(c2C)C#N)nc(o3)CN(C(=O)OCc4ccccc4)C)F	1824
+c1ccccc1C(CC)NC(c2c(c(-c3ccccc3)nc4ccccc24)CN)=O	18
+c1cc(ccc1)-c2c(c(C#N)c(N)c(O)c2F)C	5
+C1CC(CCC1)Nc2cccc(-c3ccccc3)c2CN	107
+c1ccccc1-c2c(c(on2)C)-c3nc(CO)n(-c4ccc(cc4)[N+]([O-])=O)c3	118
+c1cc(ccc1)-c2c(c(on2)C)COc3ccc(C(O)=O)nn3	6
+c1ccccc1-c2ccc(I)cc2O	5
+c1cc(ccc1)-c2c(N)cc(OC)cc2	0
+c1cc(ccc1)-c2c(cc(O)cc2)[N+](=O)[O-]	5
+O=S(=O)(c1c(c([N+]([O-])=O)cc(C(O)=O)c1)-c2ccccc2)N	10721
+c1cc(ccc1)C(N2CCN(CC2)c3c(-c4ccccc4)nnc(O)c3)=O	115
+c1ccccc1-c2c(-c3cc(F)cc(c3O)C=CC)cccc2	4606
+c1cc(ccc1)-c2c(cccc2)Cn3c4nc(SC)nc(OCC(=O)O)c4c(c3CC)C(=O)C(N)=O	4
+c1cc(ccc1)-c2nc3c(c(O)ccc3nc2NCc4ccccc4)C(=O)NCC(O)=O	3
+c1cc(ccc1)-c2c(ncc(N(CCc3cc(O)ccc3)C)n2)-c4ccccc4	16
+C1CCCCC1c2ccc3nc(C)c(n3c2)-c4sc(c(-c5ccccc5)n4)C(=O)OCC	671
+c12c(cccc1)C(=O)N(C2=O)Cc3c(C(=O)OCC)c(-c4ccccc4)c5cc(Cl)ccc5n3	10722
+c1ccccc1-c2nn(C)c3C4(c5ccccc5)C=C(C#N)C(C(C4CCc23)C)=O	10723
+c1cc(ccc1)-c2c3c(ncnc3oc2-c4ccccc4)NCCc5ccc(cc5)NC(Nc6ccccc6)=O	124
+c1ccccc1-c2c(CO)c(CC(C)C)nc3c2cc(cc3)Br	382
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(=O)Nc5cc(ccc5C)N)n2	0
+c1cc(ccc1)-c2cc(N(c3ccnc(SC)n3)C)cc4c2[nH]cn4	10724
+c1ccccc1-c2c(cc(c(C(=O)O)c2)OC)F	1
+c1ccccc1C(Nc2cc(-c3ccccc3)ccc2C(=O)O)=O	1
+c1cc(ccc1O)CC2=Nc3c(N(c4cccc(c4)-c5ccccc5)C2=O)nccc3	5048
+c1cc(ccc1)-c2cc(S(=O)(=O)Nc3ncc(Cl)cc3O)cnc2	390
+c1ccccc1-c2cc(N)cc3cn(nc23)C	0
+c1cc(ccc1)-c2cc(cc(N)c2)C(OC)=O	0
+c1cc(ccc1)-c2ccc(C(=O)OC)c(N)c2	0
+c1cc(ccc1)-c2cc(C#Cc3ccccc3)c(OC)cc2	129
+c1ccccc1-c2cc(CO)c[nH]2	351
+O=S(=O)(n1cc(C(=O)OCC)cc1-c2ccccc2)c3ccc(cc3)OC	917
+c1ccccc1-c2c3ccc(O)cc3cc(C(=O)O)c2	1
+c1cc(ccc1)SCc2cc3cc(ccc3c(-c4ccccc4)c2)O	2722
+c1cc(ccc1)-c2cc(-c3ccc(cc3)OCC(=O)O)nc4ccccc24	4
+c1cc(ccc1)-c2cc3c(cc2)CC(C(c4ncco4)O)CC3	10725
+O=S(=O)(n1cc(Br)c2c1ncc(-c3ccccc3)c2)c4ccc(cc4)C	276
+c1cc(ccc1)-c2oc3c(cccc3)c2C(c4ccc(cc4)OC)=O	3102
+c1cc(ccc1)-c2cc3ncnc(Nc4cc5c(c[nH]c5cc4)C)c3s2	4374
+c1cc(ccc1)-c2ccc(-c3c4nc(C5CCC(CC5)CC=6OC(=O)NN=6)cc(N)n4nc3)cn2	10726
+c1cc(ccc1)-c2ccc(cc2CO)Br	611
+c1cc(ccc1)-c2cc(NC(c3ccccc3)=O)c(cc2)C(=O)OC	50
+c1cc(ccc1)-c2c(C=O)cc(cc2)Br	39
+c1cc(ccc1-c2nc(-c3ccc(-c4ccccc4)c(Cl)c3)on2)CO	2185
+c1cc(ccc1)-c2ccc(cn2)-c3nc(CCOc4cc(C)c(CCC(O)=O)cc4)c(o3)C	4
+c1ccccc1-c2ccc(cn2)N	13
+c1c2c3c(cccc3)c4c(c2ccc1OC)cccc4	5049
+C1CN(CCN1c2ccccc2)Cc3ccccc3-c4ccccc4	48
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)CCCO)cnc23	213
+c1ccccc1CNCc2ccc(cc2)-c3cnc4n(ncc4-c5ccccc5)c3	42
+c1cc(ccc1)-c2cnn3cc(cnc23)-c4ccc(cc4)CCC=O	24
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)C=O)cnc23	537
+C1C(CC1)(CO)Cc2nc(-c3ccccc3)cs2	118
+c1ccccc1-c2c3c(cc(OC)cc3)sc2C(c4ccccc4)=O	10727
+c1cc(ccc1)-c2n(cnc2C(=O)OCC)C3CCCCC3N	18
+c1cc(ccc1)-c2c(ncn2C3C(CCCC3)NC(OCc4ccccc4)=O)C(=O)OCC	101
+CC(C)N(Cc1ccccc1)C(=O)CN2C(=O)Cc3n(-c4cc(F)c(cc24)F)c(-c5ccccc5)nn3	4342
+c1cc(ccc1)-c2nc(C(O)=O)c3CN(CCCn23)C	6
+c1ccccc1-c2c(c(c3n2ccc(Br)c3)C(=O)O)Cc4cccc(c4C)F	1
+c1cc(ccc1)-c2nc(c(C(CCC)C(=O)O)c(C)n2)-c3ccc4N(CCc4c3)C	4
+c1cc(ccc1)-c2nc(N3CCCCCC3)c(C(CCC)C(O)=O)c(n2)C	4
+c1cc(ccc1)-c2nc(CCNC(=O)c3n(C)ncc3C(=O)O)c(C)o2	6
+c1cc(ccc1)-c2nc(COc3ccc(cc3)Sc4nc(-c5ccccc5)c(CCC(OC)=O)s4)c(C)o2	547
+c1cc(ccc1)-c2nc(CNc3nc4c(nc3)cccc4)[nH]c2	5050
+c1ccccc1-c2oc(C)c(n2)COc3cccc(COc4nn(Cc5ccccc5)cc4C(OCC)=O)c3	4594
+c1cc(ccc1)-c2nc(COc3ccc(cc3)Sc4nc(c(CCC(=O)O)s4)-c5ccccc5)c(C)o2	4
+c1ccccc1-c2nc(Sc3ccc(cc3)O)sc2CCC(OC)=O	10728
+c1cc(ccc1C=CC(=O)OC)-c2cc(nc(NC(CCC(c3ccc(OCC)c(c3)OCC)=O)=O)c2)-c4ccccc4	699
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(=O)O)n2	744
+c1cc(ccc1)-c2c(nnc(n2)N)-c3cc(O)cc(Cl)c3	5
+c1cc(ccc1)-c2c(oc(n2)C)-c3ccc4n(c3)c(nn4)C(C)C	757
+c1cc(ccc1)-c2nc(sc2)C(O)=O	6
+c1cc(ccc1)-c2c(O)c(C(NC(c3ccccc3)CC)=O)c4ccccc4n2	14
+c1cc(ccc1)-c2nc3n(n2)ccc(NC(=O)c4n(Cc5ccccc5)ncc4C(O)=O)c3	6
+c1cc(ccc1)-c2ncc(cc2)C(O)=O	6
+c1cc(ccc1)-c2ncc(C(C)C)cc2	1747
+c1cc(ccc1)OC(=O)Nc2cnc(cn2)-c3ccccc3	2205
+c1cc(ccc1)C#Cc2c(-c3ccccc3)nn(CC(OCC)=O)c2NC(=O)C	1249
+c1cc(ccc1Br)-c2cnc(NN)nn2	10729
+c1ccccc1-c2cc3c(cccc3nn2)C	3149
+c1cc(ccc1)-c2nnn(c2)-c3ccc(cc3C#N)-c4nccc(C(O)=O)c4	1
+c1cc(ccc1)-c2noc(C)c2-c3oc(-c4ccc(-n5ccnc5)cc4OC)nn3	431
+c1cc(ccc1)-c2noc(C)c2-c3nnc(o3)-c4c(cc(N)cc4)OC	0
+c1cc(ccc1)-c2c(COc3ncc(C(=O)OC)cc3)c(on2)C	91
+c1cc(ccc1)-c2c(COc3ccc(nn3)Cl)c(on2)C	485
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CON=C(C(O)=O)c4cnccc4	3
+c1ccccc1-c2nc(C3CCCC3Cc4cc(ccc4)C(=O)N)oc2-c5ccccc5	10730
+c1cc(ccc1)-c2c(-c3ccccc3)nc(o2)C=4C(Cc5cccc(NC(=O)NC(c6ccccc6)=O)c5)CCCC=4	2462
+c1cc(ccc1)-c2nc(C)c(CCO)o2	44
+c1cc(ccc1)-c2oc(c(C)n2)CCOc3cc4c(cc3)C(CC4)CC(=O)O	3
+c1cc(ccc1)-c2oc(c(n2)CCO)C	88
+c1cc(ccc1)-c2c(nc(C=3C(CCC=3)Cc4cc(ccc4)C(O)=O)o2)-c5ccccc5	1
+c1cc(ccc1)-c2c(C(=O)c3ccc(cc3)O)c4ccccc4o2	5
+c1cc(ccc1)C(c2c(sc(-c3ccccc3)c2)N)=O	5051
+c1cc(ccc1)-c2sc(C)c(n2)CCN	18
+c1ccccc1CC(C(C(OCC)=O)O)NC(=O)c2cccnc2-c3nc(sc3)-c4ccccc4	2896
+c1ccccc1-n2nc(c(C)c2N)C(O)=O	6
+c1ccccc1-n2nc(cc2-c3cccc(c3)CCC)NC(=O)C45CC4C(NC5)=O	3157
+c1ccccc1-n2c(C=3C(C(=CN(c4ccc(cc4F)O)N=3)OC)=O)ccn2	16
+c1cc(ccc1)-n2c3c(cc(N)cc3)cc2C(=O)OCC	0
+c1ccccc1-n2c(nc3cc(-c4nc5ccccc5o4)ccc23)C	1328
+c1cc(ccc1)-n2ncc3c(ncnc23)NN=Cc4ccc(cc4)C(=O)O	878
+c1ccccc1-n2cc(C#N)c(-c3oc([N+](=O)[O-])cc3)n2	4558
+c1cc(ccc1)-n2nc3ncc(N)cc3c2	13
+c1ccccc1-n2c3cc(CO)ccc3nc2	98
+CN(C)C(=O)c1nn(nc1C(=O)O)-c2ccccc2	1
+c1cc(ccc1)-n2nc(cc2NC(=O)c3c(Cl)cc(Cl)c(c3)-c4ccccn4)C(=O)O	6
+c1ccccc1-n2cnc(n2)C(NC3CN(c4nccn5ccnc45)CC3)=O	855
+c1ccccc1-n2nc3ncc(NS(=O)(=O)c4ccccc4)cc3c2	322
+c1ccccc1-n2c(N)ccn2	2257
+c1cc(ccc1)-n2c3CCCC(CC(O)=O)c3cn2	3
+c1cc(ccc1)C2C(N3C(C4N(CCN(C4)C(Nc5n(-c6ccccc6)ncc5)=O)C3=O)=O)C2	437
+c1cc(ccc1)-c2sc(NC(C)=O)c(C(c3ccccc3)=O)c2	268
+c1cc(ccc1)-c2nn(c3c2CCC4C(C(=O)CCC34c5ccccc5)C)C	1624
+c1cc(ccc1)COc2cc(cc(c2)CC(OCC)=O)-c3ccccc3	11
+CC(C)(c1ccc(cc1)-c2ccccc2)C(NC)C(O)=O	11
+c1cc(ccc1CC(C(OCC)=O)CP(C(NC(=O)OCc2ccccc2)C)(=O)O)-c3ccccc3	11
+c1cc(ccc1CN2C(=NC(=C(c3ccccc3)C2=O)C)SCC)-c4c(C#N)cccc4	1100
+c1ccccc1-c2nnc(Cc3ccc(cc3)OC)c4ccccc24	519
+c1cc(ccc1)-c2cc3c(NC(C3)=O)cc2	11
+c1cc(ccc1)C=2c3ccccc3C(=O)OC=2C(O)C	10731
+c1ccccc1-c2nc(ncc2-c3ccccc3)N	10732
+c1ccccc1-c2cnc3cc(c(OC)c(c3n2)C(OC)=O)-c4ccccc4	495
+C1CC(CCN1CC=Cc2ccccc2)NC3=CC(=O)Oc4ccc(-c5ccccc5)cc34	11
+c1ccccc1-c2cc3c(nc2)N(C(=O)C(=C3O)C(OCC)=O)OCc4ccccc4	89
+c1nc(ncc1)N2CCN(CC2)C(=O)Cn3c(-c4ccccc4)nc(c3Br)Br	1795
+c1ccccc1-c2nc(Cl)c(c(n2)Cl)N	2294
+c1cc(ccc1)-c2ncnc(c2)Cl	198
+c1ccccc1-c2nn3c(cc2)ncc3[N+]([O-])=O	519
+c1cc(ccc1)-c2cnc3n(cc(-c4cc(ccc4Cl)NC(c5oc(cc5)C)=O)n3)c2	537
+c1ccccc1-c2c(c(Cl)c3c(nccc3)n2)C	140
+c1ccccc1-c2sc3c(C#N)cnc(NC4C(NC(C)CC4)C)c3c2	10733
+c1ccccc1C2N(C(OCc3ccccc3)=O)CCN(c4ccccc4)C2	79
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3cc4c(NC5CCN(c6ccccc6)C(=O)C5)ncnc4cc3	654
+c1ccccc1Nc2ccccc2OC	230
+c1ccccc1COc2c(cnc(C)c2OC)C(NCc3ccc(cc3)F)=O	10734
+c1ccccc1Oc2nc(c(C)c3n(CCOCC#Cc4ccccc4)c(C)nc23)C	1244
+c1ccccc1CCCOCCn2c3c(C)c(nc(N)c3nc2C)C	213
+c1cc(ccc1)-c2[nH]c3c([N+]([O-])=O)cc(C)cc3c2	2292
+c1cc(ccc1)C#Cc2c(n[nH]c2N)C	1670
+c1ccccc1S(=O)(=O)n2c3c(c4c2ncc(Cl)c4)cc(cc3)CCc5ccccc5	1702
+c1cc(ccc1)C#Cc2ccccc2C(OC)C#Cc3ccc(cc3)OC	121
+c1ccccc1C(=C2C(=O)N(c3ccccc23)C(C)=O)Nc4ccc(cc4)CC(=O)OCC	5052
+c1ccccc1C(Nc2ccc(cc2)N(C)C(=O)C)=C3C(=O)N(c4ccccc34)C(C)=O	5052
+c1ccccc1C(CC(=O)OCC)c2cc(OC)cc3c2cc[nH]3	5053
+c1cc(ccc1)C(=O)C=Cc2ccc(cc2)C(=O)O	307
+c1cc(ccc1)C(CCc2ccc(cc2)C(=O)O)=O	2301
+c1ccccc1Cn2c3c(cc2-c4ccccc4)CN(CC3C)Cc5ccccc5	4541
+c1ccccc1C(CCN2CCC(CC2)CCCc3ccccc3)=O	1644
+c1cc(ccc1)C(=O)CCN2CCN(CC2)c3cc(F)c(cc3F)O	5
+c1cc(ccc1)C(=O)N(C)C(Cc2ccccc2)CCN	51
+c1c(N)cc(cc1)C=CCCNC	5054
+c1ccccc1C(=O)N(C)CCOc2ccc(cc2)C=O	57
+CC(C)(O)c1nc(N2CC3CSC(=N)NC3(C2)c4cnccn4)ncc1F	5055
+c1(c(F)c(ccc1)C23C(C(CF)OC2)CSC(N)=N3)F	10735
+FC(F)(C1C2CSC(NC2(CO1)c3c(F)ccc(NC(c4cnc(cn4)-n5ncnc5)=O)c3)=N)C	5055
+c1cc(ccc1C2CCCN2c3cc(NC(=O)N)ncc3)F	10736
+c1cc(ccc1)COc2c(NC(=S)NC(=O)c3ccccc3)nccc2	1780
+c1ccccc1C(NC(=S)Nc2cc(cc(Br)c2)OCc3ccccc3)=O	865
+c1cc(ccc1-c2nc(C)ns2)NC(=S)N	3098
+c1cc(ccc1)C(=O)NC(=S)Nc2ccc(cc2)F	865
+c1ccccc1C(NC(Nc2ccccc2OCCC)=S)=O	865
+S=C(N)NCc1nc2c([nH]1)cccc2	2806
+c1ccccc1C(NC(Nc2ncc(cc2Oc3ccccc3)Cl)=S)=O	1780
+n1c2c(cccc2)c([nH]1)C=Cc3c(cccc3)NC(N)=S	3098
+c1cc(ccc1NC(=S)N)F	401
+C1COCCC1c2ccc(c(NC(N)=S)c2)OC	401
+NC(=S)Nc1cccc(-c2nccc(OC)c2)c1	401
+C(c1c(cc(C)cc1)NC(N)=S)CC	401
+c1cc(ccc1)C(=O)N=C2SCC3C(COC3C(F)(F)C)(N2)c4c(F)ccc(NC(c5cnc(cn5)-n6ncnc6)=O)c4	10737
+C1SC(=NC2(C)C1COc3c2ccc(c3)F)N	10738
+c1cc(ccc1)C(NCCc2cc3c(cc2)[nH]c4ncc(cc34)Cl)=O	5056
+c1cc(ccc1)C=2c3ccc(cc3CCN=2)OC	1753
+c1cc(ccc1)C(OCC(=C)CCO)=O	1974
+c1cc(ccc1)C(OCc2nc(cs2)-c3ccc(cc3)C(O)=O)=O	963
+c1cc(ccc1OCCCOc2c(cc(cc2Cl)O)Cl)-n3c(SC(C)C)nnn3	818
+c1cc(ccc1)C(c2c(ccc(c2)F)NC(=O)n3cncc3)=O	10739
+c1cc(ccc1)C(c2c(ccc(Br)c2)O)O	488
+c1c2c(ccc1)C(=O)N(C2=O)Cc3nccn3-c4ccc(cc4C(=O)c5ccccc5)Br	4543
+c1ccccc1-c2onc3c2cc(C)cc3	3159
+c1cc(ccc1)C(=O)c2ccc(C(Nc3cc(C=CC(=O)O)ccc3)=O)o2	108
+c1cc(ccc1)Cc2cccc(c2)C(O)=O	394
+c1cc(ccc1)C(=O)c2cc(C(=O)N3Cc4ccoc4CC3)ccc2	30
+c1cc(ccc1)Cc2cccc3ccccc23	394
+c1cc(ccc1)C(c2noc(CSc3ccccc3)n2)=O	10740
+c1ccccc1-c2sc3cc(c(C(=O)OC)cc3n2)OC	2179
+c1cc(ccc1C=CC(=O)C(CC=Cc2c(C)cccc2)c3ccccc3)Cl	964
+c1cc(ccc1CC(c2ccccc2)C(C)O)Cl	100
+c1ccccc1C(C2CCCCC2)CO	95
+c1ccccc1C(CO)CC=C	44
+c1ccccc1C(C(c2ccccc2)OC(C3CCCCC3Cc4cc(OC)ccc4)=O)=O	4231
+CC(C)(C(=O)C)C(c1ccc2n(-c3ccc(cc3)F)ncc2c1)c4ccccc4	86
+c1cc(ccc1)-c2c3c(n[nH]2)cc(cc3)C(c4ccccc4)C(C)(C)C(O)=O	4
+c1ccccc1CNC(C(C)O)c2ccccc2	42
+c1cc(ccc1)C(C(c2cccc3ccccc23)O)CNC	1925
+c1cc(ccc1)C(C)(C)NC(=O)c2cc3c(n(C(=O)OCC)nc3NC(=O)c4ccccc4N)s2	0
+c1cc(ccc1)C(C)(CO)CCCCBr	44
+C1(c2c(C(=O)N1CCCCCC(C)(c3ccccc3)CO)cccc2)=O	966
+O=C1c2ccccc2C(C)C1	214
+c1cc(ccc1C)S(=O)(=O)OCC(C)c2ccccc2	36
+c1cc(ccc1)C(C)N2CC(CC2=O)CC(C(=O)O)C	4
+c1cc(ccc1)C(N2C(CC(CC(C)CO)C2)=O)C	21
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5cc(NC(NC(c6ccccc6)C)=O)ncc5c(n4)NCC	10741
+c1cc(ccc1)C(C2COCCN2Cc3sc4c(C(C(C(NCc5ccc(cc5)Cl)=O)=CN4CCOC)=O)c3)O	822
+c1ccccc1COc2c(cc(cc2)OCc3ccccc3)OCC(=O)c4ccccc4	702
+c1cc(ccc1C(=O)CCC(c2ccccc2)=O)OC	10742
+c1cc(ccc1-c2nc(-c3ccccc3)cs2)Br	1741
+c1cc(ccc1Cn2c3ccccc3nc2CC4CCN(CC4)CCNc5nc(cs5)-c6ccccc6)F	354
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(=O)OC)-c4c(n(nc4)C)NC(CC(C)c5ccccc5)=O	195
+CC(C)CC(C(=O)NC(CO)C(O)C(O)C(O)C(=O)NC(c1ccccc1)CC(N)=O)N	334
+c1ccccc1C2CC(c3c(C2)c(OC)ccc3)=O	214
+c1cc(ccc1)C2Cc3c(C(=O)C2)ccc(OC)c3OC	214
+c1ccccc1C(c2cc(ccc2)OC)CCO	95
+c1cc(ccc1O)NC(=O)C(c2ccc(cc2)O)=C(c3ccccc3)CC	241
+c1cc(ccc1)C(=O)CCCn2c3c(cnc4c3cccc4)nc2	155
+c1cc(ccc1Br)CN2C(C3(CCN(CC3)CCC(O)c4ccccc4)CC2)=O	74
+c1cc(ccc1)C(O)CCc2c(C(OC)=O)cc3nc(C)n(c3c2O)CCOC	74
+c1ccccc1C(CCc2cccc(OC)c2)N	18
+c1cc(ccc1)C(CCc2cc(OC)ccc2)N=[N+]=[N-]	841
+c1cc(ccc1)-c2oc(-c3ccc4nc(C)[nH]c4c3)nc2	10743
+c1cc(ccc1)C(CNCCO)Nc2cc(-c3ccc4c(c3)c(F)[nH]n4)cnc2	15
+c1ccccc1C(CC(OCC)=O)Cc2ccc(cc2)OC	10744
+c1ccccc1C(F)(F)C#N	143
+c1ccccc1C(F)(F)C(F)(F)c2c(CO)cccc2	49
+c1cc(ccc1C=O)-c2cc(CN(C(c3ccccc3)=O)C)ccc2	11
+c1ccccc1C2N(Cc3ccccc3)C(=O)COC2C	467
+c1ccccc1C(Nc2nccc(-c3c(c[nH]c3-c4ccc(cc4)F)C5=CCN(C(OCC=C)=O)CC5)c2)C	182
+c1ccccc1C(N)COC(F)F	45
+c1ccccc1C(C2CC(N(C2)C(c3ccccc3)C)=O)O	74
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)[N+]([O-])=O)C	20
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)N)C	0
+C1CC2(CCN1)Cc3ccccc3C2=O	5054
+c1-2ccccc1NCCc3nc(C)[nH]c-23	10745
+c1cc(ccc1)COC(=O)NC(CC(C)C)C(=O)NC(C(O)C(O)C(C(=O)NC(c2ccccc2)CC(=O)O)O)CO	1403
+c1cc(ccc1)C(NC(=O)Cc2ccc(cc2)OCC(c3c(nccc3)C)O)c4c(cc(C)cc4)C	652
+NC(=S)Nc1nc(ccc1)C	401
+CC(C)S(=O)(=O)NC1CCC(CC1)CNC(N)=S	401
+C1COCCN1c2ccc(OC)c(NC(=S)N)c2	401
+C1CN(CCO1)c2cc(NC(=S)N)c(cn2)OC	401
+NC(=S)Nc1nc(ccc1)Br	401
+c1cc(ccc1)C(NC(CC(=O)OCC)c2cccc(N)c2)=O	0
+O=S(=O)(c1cc(N)ccc1)Nc2cccc(c2)C(NC(=O)c3ccccc3)CC(OCC)=O	0
+c1ccccc1-c2nnc(o2)CCC(OC)=O	877
+c1ccccc1C(=S)Nc2c(Cl)c(ccc2)C	581
+c1cc(ccc1)C(Nc2nccc3c2ccc(c3)CN=[N+]=[N-])=O	925
+c1cc(ccc1)C(Nc2c3c(ccn2)cc(CO)cc3)=O	41
+c1ccccc1C(CN)Nc2cncc(c2)Br	45
+c1cc(ccc1)C(Nc2c3ccc(cc3ccn2)CN)=O	18
+c1ccccc1C(O)(C)CCOS(=O)(=O)c2ccc(cc2)C	36
+c1ccccc1-c2nc(-c3ccc(cc3)-c4nc5c([nH]4)cccc5)no2	910
+C1CC(CCC1c2ccc(cc2)-c3nnn(C)c3NC(=O)OC(c4ccccc4)C)CC(=O)OCC	2907
+c1ccccc1C2CCc3c(C(=O)OC)cc4nc(C)n(CCOC)c4c3O2	10746
+c1cc(ccc1)C2c3c(CN(C)C2)c(cc(c3)Cl)Cl	5057
+c1ccccc1C(CNC(C2CC(CCC2C(C)C)C)=O)=O	155
+C(C(COC1OCCCC1)C)O	682
+c12c(NC3CN(CC3)Cc4cccc(OCCO)c4)cccc1cncc2	682
+c1c(Oc2cccc3c2CNC3=O)c(cc(c1)Nc4ncnc5c4n(CCO)cc5)Cl	682
+c1cc(ccc1)C(OCc2nc(-c3ccc(cc3)CO)cs2)=O	49
+C(c1cc(cc(CC)c1OCCCCOCC(OCC)OCC)O)C	818
+Clc1c(c(C)cc(O)c1)OCOC	818
+Clc1cc(cc(Cl)c1OCc2ccccc2Cl)O	818
+c1c(c([N+]([O-])=O)cc(c1)O)OCC(OC)=O	818
+O=S(=O)(C(c1ccccc1)C(C)(C)O)N	4939
+c1cc(ccc1)CCC(c2ccccc2)c3cn(Cc4ccccc4)cn3	371
+c1cc(ccc1)C(c2cccc(CC(O)=O)c2N(C)C)=O	4
+c1cc(ccc1)-c2c3c(no2)c(ccc3)C	3159
+c1ccccc1C(=O)c2c(NC(C)=O)sc3ccccc23	10747
+c1ccccc1C(c2cnc3c(c2Nc4c(C)cccc4)cccc3OC)=O	179
+c1cc(ccc1)-c2onc3c2ccc(c3)C	3159
+c1cc(ccc1)C(NC(=O)Cc2ccc(cc2)OCC(c3cccnc3C)=O)c4c(cc(C)cc4)C	9
+c1ccccc1Cc2cc(ccc2O)Br	452
+c1cc(ccc1)Cc2cc(OC)c(c(c2)Br)OCCOC	452
+c1cc(ccc1)COc2cccc(c2)C(C(=O)O)(c3ccccc3)O	3
+c1ccccc1C(c2ccc3n(-c4ccc(cc4)F)ncc3c2)C(C)(C)CO	21
+c1ccccc1C(c2ccc(o2)C(=O)O)=O	1
+c1cc(ccc1)C(c2ccc(Cl)cc2C)NC(Cc3ccc(O)c(N)c3)=O	0
+c1cc(ccc1)C(c2c(cc(Nc3c4cc(ccc4ncn3)-n5cncc5)cc2)Cl)=O	73
+c1ccccc1C(=O)c2ccc(c(CC=C)c2O)O	423
+c1cc(ccc1C(=CC(=O)O)c2ccccc2)[N+](=O)[O-]	108
+n1c2ccccc2nn1-c3cc(cc(c3O)Cc4c(OC)ccc(C(=O)c5ccccc5)c4O)C	10748
+c1ccccc1C(c2ccccc2)(C(O)C(=O)O)C	3
+c1ccccc1C(c2ccccc2)(CC(N(C)C)C)C(=O)CCCC=C	86
+c1ccccc1C(c2ccccc2)(CC3CCNCC3)C(=O)N	25
+c1cc(ccc1F)C2(c3ccc(cc3)F)C(N(CC(NCC(c4ccccc4)(c5ccccc5)C)=O)CC2)=O	9
+c1cc(ccc1)C(c2ccccc2)(O)C3C(C)(C)C(=O)N(C4C5CC(CC4CCC5)C(OC)=O)C3	1412
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4ccc(cc4)N)O	0
+c1ccccc1C(c2ccccc2)(C3CNCC3)C#N	2721
+c1ccccc1C2(c3ccccc3)C(=O)NCCC2	5058
+c1ccccc1C(c2ccccc2)(O)CCNC(c3ccccc3)=O	93
+c1ccccc1C(c2ccccc2)(CN)CNCC(C)(C)C	12
+CC(C)(C)OC(=O)NC(CO)CCN1CC(C1)Sc2ccc(cc2)Cl	3160
+CC(C)(C)OC(=O)NC(CCN1CC(C1)S(=O)c2ccc(cc2)Cl)CO	3160
+C1C2CCCC(CC1C(OC)=O)C2N3C(=O)C(C)(C)C(C3)CO	3160
+c1ccccc1C(c2ccccc2)=C3CCN(CC3)c4[nH]c5ccccc5n4	5059
+c1cc(ccc1)C(c2ccccc2)(O[SiH2]C(C)(C)C)C(NC(OC(C)(C)C)=O)CCN3CC(C3)Sc4ccc(cc4)Cl	183
+c1cc(ccc1)C(c2ccccc2)(O)C(NC(=O)OC(C)(C)C)CCN3CC(C3)S(=O)c4ccc(cc4)Cl	1412
+c1cc(ccc1)C(c2ccccc2)(O)C(CCN3CC(C3)Sc4ccc(cc4)Cl)NC(=O)OC(C)(C)C	1412
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(O)COCc4ccccc4	604
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC4CC(O)CCC4NC(=O)OCc5ccccc5	604
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5c(c(I)n4)cc(Br)c(c5)[N+]([O-])=O	2271
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(-c5ccccn5)c(-c6ccnc(c6)Br)c4	10749
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(-c5ccc6c(c(O)nc(CCCC)n6)c5)nn4	10750
+C1c2ncc(Br)cc2CN1	10751
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC4=NNC(=O)N4CCC	2082
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(N4C=CC(=O)NC4=O)CCO	21
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(N4C(=O)NC(C=C4)=O)CC(=O)O	3
+c1ccccc1COCC(CO)OC	1454
+C(CCCCCCCCCCCCCC)CSCC(OC)CO	10752
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC=4N(CCC)C(N(Cc5ccc(cc5)C)N=4)=O	1712
+c1ccccc1COC(NC2CCC(OC)CC2CO)=O	1454
+c1cc(ccc1CN2N=C(CO)N(CCC)C2=O)C	1454
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCc4ccc(cc4)C#N	639
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(I)c5c(CO)nc(cc45)Cl	453
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5c(c(I)n4)cc(Br)c(N)c5	0
+c1nc(c[nH]1)C(=O)c2cccnc2F	5060
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)C(c5cc6ccc(C(=O)NC)cc6cc5)=O	5061
+c1[nH]cc(-c2cc(C#N)ccn2)n1	10753
+C1CC1(O)c2[nH]cnc2	5060
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cnc(C5(CC5)O)c4	88
+C1CN(CCN1C)c2cc(c(cc2)C(=O)Nc3[nH]nc4c3cc(cc4)C(=O)c5cc(F)cc(c5)F)[N+]([O-])=O	10754
+c1ccccc1C(c2ccccc2)=C(C(=O)O)C#N	108
+c1ccccc1C(c2ccccc2)=CCN3CCN(CC3)c4ccc(cc4)C#N	10755
+c1cc(ccc1)CN2CCC(Oc3cccc(n3)N)CC2(C)C	2664
+c1cc(ccc1CC2(C(=O)OC)CCCC(N)C2)F	10756
+c1cc(ccc1)C(c2ccccc2)=NC3CC(CCC3)(Cc4ccc(cc4)F)C(=O)OC	1161
+c1c(C)c(c(cc1N)C)-c2c(C)cncc2C	828
+C1COCCN1S(=O)(=O)Nc2cc(N)cnc2Cl	3161
+C(C)OC(c1cnc2c(ccc(N)c2)c1)=O	828
+c-12c(CCOc3cc(N)ccc-13)cc(C(N(c4c(Cl)cccc4)C)=O)s2	828
+CC(C)C=1Oc2cc(ccc2C(=O)C=1c3ccc(cc3)Cl)N	828
+O=S(=O)(C)Nc1cc(N)cnc1C	3161
+CC(C)(C)OC(Nc1cc(cnc1Cl)N)=O	3161
+CC(C)(C)OC(N1CC(OCC1)c2cnc(cc2)N)=O	5062
+CC(C)(C)[Si](C)(C)OCC(C)(C)n1cc(c2cncnc12)C(c3cc(N)ncc3)=O	5062
+c1cc(ccc1)C(c2ccccc2)CO	95
+c1cc(ccc1)C(c2ccccc2)C(N3CCC(CC3)CCn4cc(C(C(O)=O)Cc5cnc(cc5)N)nc4)=O	3
+c1cc(ccc1)C(c2ccccc2)C(=O)Nc3cnc(nc3O)C=O	2287
+c1cc(ccc1)C(c2ccccc2)CC(N3CCNCC3)=O	2
+c1cc(ccc1)C(c2ccccc2)CCN3CC(NC(=O)OC(C)(C)C)CC3	15
+c1cc(ccc1)C(c2ccccc2)CC(N3CCN(CC3)CC(O)=O)=O	3
+c1cc(ccc1)C(c2ccccc2)CCN3CCC(N)C3	12
+c1ccccc1C(c2ccccc2)CCN3CCN(CC3)c4cc(C(N(Cc5ccccc5)C)=O)ccc4	30
+c1cc(ccc1)C(c2ccccc2)CCN3CCN(CC3)c4cc(C(=O)O)ccc4	6
+c1cc(ccc1)C(c2ccccc2)CN(Cc3cc(ccc3)OC(F)(F)F)CCCOc4cc(ccc4)CC(=O)O	4
+c1cc(ccc1)C(c2ccccc2)CN(CC3CCN(CC3)Cc4ccc(cc4)Cl)C(CNC(c5ccccc5)=O)=O	10
+c1cc(ccc1)C(c2ccccc2)NC(c3c(O)nc(COCc4ccccc4)nc3)=O	484
+c1cc(ccc1)C(c2ccccc2)N3c4ccccc4C(C3=O)(O)c5c(O)cc(OCc6ccccc6)cc5	1115
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4ccccc34)c5cc(OC)ncc5O)=O	462
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4ccccc34)c5cc(c(cc5O)F)F)=O	462
+O(C)c1cc2c(cn1)OCC23c4ccccc4NC3=O	3162
+c1ccccc1C(c2ccccc2)N3CC(C3)(F)CN	51
+c1ccccc1C(c2ccccc2)N3CC(C3)(NCc4ccccc4)CNC(C)C	15
+C1NCC1C(c2cc(cc(c2)F)C(=O)OCC)C(C)(C)F	539
+C1NCC1Cc2cn(c3ccc(cc23)F)C	539
+C1CC(CCN1C2CNC2)C(=O)N3CCC3	539
+C1CN(CCC1C(N(C)C)=O)C2CNC2	539
+C1CN(CCN1C2CNC2)C(=O)CC	539
+FC(F)(F)C(N1CCN(CC1)C2CNC2)=O	539
+C1NCC1N2C(CCO)COCC2	539
+c1cc(ccc1)C(c2ccccc2)N3CCN(CC3)CCCNc4cc(Cl)c(cc4N)Cl	0
+c1cccc2NC(C3(c4c(cc(F)c(c4)F)OC3)c12)=O	3162
+c1cc(ccc1)C(c2ccccc2)N3C(=O)C(c4ccc(OCc5ccccc5)cc4O)c6c3cccc6	462
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4cc(ncc4O)OC)(c5c3cccc5)O)=O	2942
+c1cc(ccc1)C(c2ccccc2)N3c4ccccc4C(c5cc6c(OCC6(C)C)cc5O)C3=O	462
+c1cc(ccc1)C(c2ccccc2)NC(=O)c3c(O)nc(CO)nc3	118
+CC(C)(C)c1nc(sc1)-c2cc3c(o2)ccc(c3)OCc4ccccc4OC(CCC)C(O)=O	10757
+c1ccccc1C(c2ccccc2)OCC3CCN(CC3)CCN	45
+c1ccccc1CN2c3ccccc3C(c4ccccc4)(O)C2=O	1126
+c1ccccc1C2(CC(C2)C)c3c(ccc(c3)OCc4ccc5cc(ccc5n4)F)C(=O)C	155
+C1CC(CCC1(N(C)C)c2ccccc2)C=O	3663
+c1cc(ccc1)C2(CCCCC2)CNc3c4c(cccc4)nc(n3)Cl	40
+c1cc(ccc1)C2(CCCCC2)CNc3ncnc4ccccc34	10758
+C1CN(CCC1(c2ccccc2)CN)Cc3ccccc3	51
+C1CC(CCN1)(CN2CCN(CC2)C)c3ccccc3	25
+c1cc(ccc1)COC(=O)N2CC(CCC2)(N)c3ccccc3	18
+c1cc(ccc1)C2(NC(N(CC(=O)c3ccc(cc3F)N)C2=O)=O)CCC	106
+c1cc(ccc1)C2(c3ccccc3)CNCC2	15
+c1cc(ccc1)C2(c3ccccc3)Cc4[nH]nc(C#N)c4C=C2	331
+c1cc(ccc1)C2(c3ccccc3)CCN(C(CN4CCCC(c5ccc(cc5)F)(c6ccc(cc6)F)C4=O)=O)C2	10
+c1cc(ccc1F)C2(c3ccc(cc3)F)CCN(C2=O)CC(N4CC(c5ccccc5)(c6ccccc6)CC4)=O	10
+c1cc(ccc1)C23C(C(C(CC2)=O)C)CCc4c3nc(-c5ccccc5OC)nc4OC	97
+c1cc(ccc1)C2=C(C=CC=O)N(C)C(=O)c3c2cccc3	10759
+c1cc(ccc1)C2=C(c3ccc(OC)cc3CCC2)CCCCCCO	10760
+c1cc(ccc1)C=2CCCc3c(ccc(O)c3)C=2CCCCCCO	5
+c1ccccc1C=2C(=O)N3Cc4c(cccc4)C3=C(C=2)C(O)=O	2882
+c1ccccc1C2CCCc3sc(nc23)Nc4ccc(cc4)-c5nc(C)ns5	2522
+c1ccccc1CCNC(CN2c3ccccc3SC(c4ccccc4)C(C2=O)NC(c5[nH]c6c(cccc6)c5)=O)=O	9
+c1ccccc1C2CN(C)CCc3c2ccc(O)c3N	0
+c1ccccc1C2NCCOC2	15
+c1ccccc1C2N(C(CC2COS(=O)(=O)c3ccc(cc3)C)=O)C	36
+c1cc(ccc1)C2OC(=O)CCC=CCC(CC(=O)NCc3ccc(cc3)Cl)C(=O)N(C)C2C	9
+c1cc(ccc1)C2CN(CCc3c2ccc(c3[N+]([O-])=O)O)C	5
+c1ccccc1C2c3c(C(C2CC)=O)c(c(Cl)c(O)c3)Cl	5
+c1cc(ccc1)C=2C=CN(CCC(C)(S(=O)(=O)C)C(NO)=O)C(=O)C=2C	792
+c1ccccc1C2c3ccc(OC)cc3CCN2	2262
+C1CCCCN1CCOc2c3c(nc(O)cc3)c(cc2)Cl	3163
+c1cc(ccc1)C=CC(=O)Oc2c(cc(cc2)[N+]([O-])=O)N	0
+c1cc(ccc1)C=CC(Oc2c(N)cc(N)cc2)=O	0
+c1c2c(c(c(c1)F)C)nc(cc2)O	3163
+c12c(ccc(O)n1)cccc2F	3163
+c1cc(ccc1)C=Cc2onc(-c3ccc(cc3)Cl)c2COc4ccc(C(=O)OC)cn4	91
+c1ccccc1C=Cc2cc(ccn2)-c3[nH]c(C(C)C)c(C(N)=O)c3	10761
+c1cc(ccc1)C=Cc2onc(c2C(O)=O)-c3ccc(cc3)Cl	6
+c1cc(ccc1F)-c2noc(C=Cc3ccccc3)c2CO	5063
+c1cc(ccc1)C=Cc2c(c(no2)-c3ccc(cc3)Cl)CO	5063
+c1cc(ccc1)CC(O)C=CC2N(CCCCCl)C(CC2)=O	1565
+c1ccccc1CC(=O)c2ccc(cc2)CCCC(=O)OC	94
+c1cc(ccc1)CC(c2ccn(S(=O)(=O)c3ccccc3)c2)=O	432
+O=C1c2ccccc2C(=O)N1C3Cc4c(C3)cc(C(=O)Cc5ccccc5)cc4	94
+c1ccccc1CC(c2ccc(cc2)SC)=O	94
+c1cc(ccc1)CC(Nc2ccc(nn2)Cl)=O	195
+c1ccccc1CC(NC2C(N(Cc3c(OC)cc(cc3)OC)C2COC)=O)=O	21
+c1ccccc1-c2c(c3c(cc2CCCCC)cc(OC)cc3)O	10762
+c1ccccc1CC(C#N)C(O)=O	3
+c1cccc2-c3ccccc3C(c12)COC(=O)NCC(=O)NC(Cc4ccccc4)C(NCC(=O)O)=O	10763
+c1cc(ccc1)CC(C(OC)=O)Nc2ncnc(Cl)c2	2581
+c1cc(ccc1)CC(CCn2c(COc3ccc(cc3)Cl)nc4c2cccc4C)C(OCC)=O	656
+c1cc(ccc1)CC(Oc2c(c3c(cc(-c4c(c5c(cccc5)o4)C(=O)CCCC)cc3)cc2)Br)C(O)=O	3
+c1cc(ccc1)CC(C=O)NC(OCC)=O	378
+c1cc(ccc1)CC(C(NC(C(O)=O)CCCNC(=N[N+]([O-])=O)N)=O)NC(C(C)NC(OCc2ccccc2)=O)=O	10764
+c1cc(ccc1)C(=O)N(C(Cc2ccccc2)CC#N)C	115
+c1ccccc1CC(C(O)=O)CS(=O)(=O)C(C)(C)C(=O)N	210
+c1ccccc1CC(F)(F)CN2CCC(CC2)N	15
+c1cc(ccc1NC(C(Cc2ccccc2)NC(=O)Nc3ccc(cc3)Cl)=O)C4=NCCN4C	10765
+c1ccccc1C=2N(C(C(N(C(C)=O)C=2)C(C)C)=O)CC(NC(Cc3ccccc3)CO)=O	9
+c1cc(ccc1Oc2c3ncn(C4OCCCC4)c3ncn2)NC(NC(=O)Cc5ccccc5)=S	2095
+c1cc(ccc1)CC(NC(=O)c2cccnc2-c3csc(-c4ccccc4)n3)C(=O)C(NC5CC5)=O	1363
+c1ccccc1CC(NC2=NC=C(N(C2=O)CC(OCC)=O)Cl)CN	18
+c1cc(ccc1)CC2(CNc3cc(ccc23)Cl)C	15
+c1ccccc1Cc2cccc(C#N)n2	1304
+c1ccccc1CC2C(C(=O)OCC)(F)CNC2	25
+c1cc(ccc1)CC2CC(c3c(Cl)c(C(O)=O)ccc3S(=O)(=O)C)=NO2	1
+C1CC(CCC1Cc2ccccc2)=O	97
+c1cc(ccc1)CC2CCN(CC2)C(=O)C3NCC(C3)O	679
+C1CC(CCN1C(C2CC(O)CN2Cc3ccccc3)=O)Cc4ccccc4	1330
+C1CC(CCN1CCC#Cc2ccc3c(ccn3S(=O)(=O)c4ccccc4)c2)Cc5ccccc5	197
+c1cc(ccc1)CC2CN(C(=O)CCc3c4cc(ccc4n(c3-c5ccc(cc5)Cl)C)Cl)CCN2C	10
+OCC(CC=C)c1ccc(c(c1)Cl)Cl	2859
+c1cc(ccc1)CC2COC(=O)N2C(=O)C(OCC)C(O)c3c(cc(cc3)OCc4ccccc4)CC	4731
+c1cc(ccc1)CC2COC(=O)N2C(CC(c3nocc3)c4ccc(cc4)O)=O	16
+c1cc(ccc1)S(=O)(=O)c2ccc(cc2)CCC	2290
+c1cc(ccc1)CCC(=O)N2C(C)CC(C2)Cn3ncc4cc(-c5cn[nH]c5)ccc34	747
+c1cc(ccc1)CCc2oc(C)c(CC(=O)OC)n2	10766
+c1ccccc1CCC(NC2CSC(CN(CC(O)=O)C2=O)c3ccco3)C(O)=O	3
+c1cc(ccc1)C(c2[nH]cnc2)CCc3ccccc3	2152
+c1ccccc1CCCNc2cccc(Sc3ccc(cc3)CC(OCC)=O)c2	291
+c1ccccc1CCCOc2c(ccc(c2)C(=O)NCC)-n3nnc(c3)C(=O)OCC	8
+c1ccccc1CCCC(C(O)C)(c2nc(C)c3C(N=C(Cc4cc(c(cc4)OC)OC)Nn23)=O)C	100
+c1ccccc1CCCC(C(=O)C)c2nc(C)c3C(=O)NC(=Nn23)Cc4cccc5ccccc45	5012
+c1cc(ccc1)CCCC(C(=O)C)(c2nc(C)c3C(=O)N=C(Nn23)Cc4ccc(OC)c(OC)c4)C	3164
+c1cc(ccc1)CCCC(c2nc(c3C(N=C(Cc4cc(c(cc4)OC)OC)Nn23)=O)CC)C(C)=O	3164
+c1cc(ccc1)CCCC(C(NC(c2nnc(Cc3ccc(OC)c(OC)c3)nc2O)CC)=O)C(=O)C	2299
+c1ccccc1CCCC(C(O)C)c2n3N=C(NC(=O)c3c(CC)n2)Cc4cc(OC)c(cc4)OC	5064
+c1cc(ccc1O)C(O)CCCc2ccccc2	758
+c1cc(ccc1)CCN2CCC3c4cccc(c4CCC23)O	5
+c1cc(ccc1)CCN2C3C(CC2)c4cccc(c4CC3)OC	15
+c1cc(ccc1S(=O)(=O)NCC(C2(CC(C)C)CCN(CCc3ccccc3)C2=O)C(=O)NOCc4ccccc4)OC	293
+c1ccccc1CCNC(C(Nc2ccc(Oc3c4c(ncc3)cc(c(OC)c4)OCc5ccccc5)c(c2)F)=O)=O	242
+c1ccccc1CCSc2ccc(cc2)C=O	607
+c1cc(ccc1)CCc2c3cc(ccc3ncc2)C(=O)c4ccc(cc4)Cl	4898
+c1cc(ccc1)CCc2oc(C)c(CCO)n2	21
+c1cc(ccc1)CCc2nc(c(C)o2)CC(=O)O	4
+c1cc(ccc1OCc2ccccc2)CC(C(=O)O)O	139
+c12c(cccc1)CC(C2)(CO)c3cn(cn3)Cc4ccccc4	2330
+c1cc(ccc1)CN2C(=O)C(OCC2C)C	10767
+c1cc(ccc1)CN(CC(COc2ccccc2)O)C(Cc3ccc(cc3)NC(=O)c4ccc(cc4)C(=O)OC)CO	67
+c1cc(ccc1)CN(C2C(CN(CCc3ccc(cc3)F)CC2)C(=O)OCC)C	236
+C1CC(CCC1N2CCc3c(ccnc3)C2)N(Cc4ccccc4)C	85
+c1cc(ccc1)CN(C)C2CCC(CC2)=O	97
+c1cc(ccc1)CN(C2C(CO)CN(CC2)CCc3ccc(cc3)F)C	21
+c1cc(ccc1F)C(CN(C)Cc2ccccc2)O	74
+N(C)CC1CNC(c2cccc3[nH]cc1c23)=O	25
+c1cc(ccc1)CN(C)Cc2ccc(N)c(OC)c2	0
+c1cc(ccc1)CN(C)C2CCN(CCc3ccc(cc3)F)CC2C(O)=O	3
+c1cc(ccc1C(Nc2ccc(cc2)CC(N(CC(COc3ccccc3)O)Cc4ccccc4)CO)=O)C(=O)O	1
+c1cc(ccc1)CN(CCOC(C=2C(C(=C(C=O)NC=2C)C(=O)OCC)c3cc(ccc3)[N+]([O-])=O)=O)C	10768
+c1cc(ccc1)CN(CCOC(=O)C=2C(C(=C(NC=2C)CO)C(=O)OCC)c3cc(ccc3)[N+](=O)[O-])C	10769
+c1cc(ccc1)CN(Cc2ccccc2)C(C3CCNCC3)=O	2
+c1cc(ccc1)CN(Cc2ccccc2)C(C(O)=O)C(C3CC3)O	3
+c1ccccc1CN(Cc2ccccc2)CC3CCNCC3	15
+CC(C)(O)C(Nc1cccc2c1CCC(N)C2)=O	932
+c1(N)cnc(cc1)CN(CCO)C	10770
+c1ccccc1CN(Cc2ccccc2)c3cccc(c3CO)[N+]([O-])=O	41
+C1CC1(O)c2c(cccc2)N	5065
+O=S(=O)(N(Cc1ccccc1)CCN2Cc3ccccc3C(C(=O)C2)(O)C4CCC4)c5ccccc5[N+](=O)[O-]	86
+c1ccccc1CC2=Cc3c(N(Cc4ccccc4)C2=O)cnc(c3O)C(OC)=O	10771
+c1cc(ccc1)CN2CCCCC(N)C2	15
+c1cc(ccc1)CN2CC(C)OCC2C	15
+c1ccccc1CN2CC(C(N)C)CC2=O	733
+c1cc(ccc1)CN2CC(CC2)c3c[nH]c4c3c5c(cc4)OCC=C5	15
+c1ccccc1CN2C(=O)c3ccccc3-c4cc(ccc24)CC5C(NC(=O)S5)=O	534
+c1cc(ccc1)CN2C=CC=C(C2=O)O	2285
+O1C(C)C(C(=O)O)NCC1	3165
+c1cc(ccc1)CN2CC(CO)CCCC2C	10772
+c1cc(ccc1)CN2CC(OCC2)Cc3ccc(F)c(C)c3	15
+c1cc(ccc1)CN2C(CC(N)C2)C(=O)OC	18
+c1ccccc1CN2C(C(C)OCC2)C(OCC)=O	15
+c1cc(ccc1)CN2C(C(=O)O)C(OCC2)C	210
+CC1(C)N(Cc2ccccc2)CC(C(C)C)NC1	15
+c1cc(ccc1F)N2CC(C)(C)N(CC2)Cc3ccccc3	79
+C1CCCC(n2cc(-c3cc4cnn(CC5CC(NC5)C)c4cc3)cn2)O1	25
+c1ccccc1CN2CC(C)(C)OCC2C3(CC3)O	15
+C1(NCC2CC(CC12)C)CO	25
+c1cc(ccc1)CN2C=CC(O)=CC2=O	10773
+c1cc(ccc1)CN2C(C=CC(N3c4c(CC3C(=O)O)cccc4)=N2)=O	4
+c1(C)c(F)ccc(OCC2CCCC(NC2)C)c1	25
+c1cc(ccc1N(CCOC)C(C2CN(c3ccc(cc3)OCC)CCN2Cc4ccccc4)=O)N	0
+c1cc(ccc1)CN2C(CC)C(C)OCC2	15
+C(O)CC1NCCOC1	25
+c1ccccc1CN2C3(CCC2)CNCC3	15
+FC1(F)CC2CC(CC1N2)(O)CC(=O)OCC	25
+C1NC2CC(NC(=O)Nc3ccc(F)c(F)c3)CCC2(C1)c4ccc(c(OC)c4)OC	25
+FC1(F)CC2CC(CC1N2Cc3ccccc3)O	59
+c1cc(ccc1)C2(CC3CCC(C2)N3)C(=O)O	25
+c1(c2c([nH]cc2)ncc1)N(C)C3C(C)CCNC3	25
+c1cc(ccc1)CN2CCC(C(c3ccc(cc3)Cl)C2)C(Nc4ccc(C#N)cn4)C	340
+c1cc(ccc1)CN2CC(CC2)C(=O)N	15
+c1cc(ccc1)CN2CC(CC2)CN	10774
+C1(C)C(CCNC1)=O	25
+OC(CC1(OCC(C)NC1)C)C	25
+c1cc(ccc1)CN2CC(CC2)CN	15
+c1cc(ccc1)CN2CCC(CO)C2	647
+c1ccccc1-c2ccn(CC(NCC3CN(Cc4ccccc4)CC3)=O)n2	9
+c1cc(ccc1)CN2CC(CC2=O)C(C)=O	10775
+O=S(=O)(N1C2C(N(C(NC3CNCCCC3)=O)CC2)C1=O)O	25
+c1cc(ccc1)COC(N2CCOC(CCOC(C)=O)C2)=O	1600
+CC1N(CCNC1)C(=O)C	25
+CCOC(=O)N1CCNCC1C	25
+c1cc(ccc1F)Cn2c3c(cccc3)nc2NC4CCN(CC4)C5CCCNC5	25
+C(CNC1CCNC1)C#N	25
+C1CC12C(CNCC2)O	25
+c1cc(ccc1)CN2CC(Oc3ccc(cc3)[N+]([O-])=O)CC2	20
+c1(cc(ccc1F)CC2CNCCO2)C	25
+c1cc(ccc1)CN2CC3c4c(C(=O)C3CC2)ccs4	1487
+C1CN(CCC12CNCC(c3ccc(cc3)Cl)O2)C(c4ccc(c(C)c4)OC(C)C)=O	25
+N1CC2C(C1)C(CC2)O	25
+C1CC2CNCC2C(O)(c3c(cccc3)OC)C1C	25
+c1cc(ccc1)CN2CC3C(CC(C2)C3)=O	86
+c1cc(ccc1)CN2CC3C(O)CC(C2)C3	59
+C1C2CN(CC(CN1)C2)Cc3ccccc3	25
+c1ccccc1COc2ccc3c(c2)COC4CNCC34	25
+c1cc(ccc1)CN2CC3OCc4c(C3C2)ccc(OCc5ccccc5)c4	15
+c1cc(ccc1)CN2CCC3Cc4c(scc4)C3C2	5007
+c1cc(ccc1)CN2CCC3Cc4c(ccs4)C3C2	2501
+C1CC(CCN1Cc2ccccc2)c3ccc(cc3)OC	191
+c1cc(ccc1)CN2CC(C(CC2)C(C)N)c3ccc(cc3)Cl	733
+c12c(N(C)C3C(C)CCNC3)ncnc1[nH]cc2	25
+CCOC(C1CCNCC1O)=O	25
+c1cc(ccc1Cl)C2CNCCC2C(C)Nc3ccc(C#N)cn3	25
+c1cc(ccc1O)-c2cc(C(NC3(CCN(CC3)Cc4ccccc4)C)=O)c5c(C)nn(c5n2)C6CCCCO6	14
+C1CNCCC1(O)C(=O)OC	25
+C1CC2(CCN1Cc3ccccc3)OCc4ccncc24	10776
+C1CC1S(=O)(=O)C2(CCNCC2)c3cc(nc(n3)Cl)N4CCOCC4C	25
+CN(C)C1(CCN(CC1)Cc2ccccc2)c3cnccc3	2062
+C1CC(CCN1Cc2ccccc2)CCCCC#N	1101
+c1cc(ccc1)CN2CCC(CC2)=CCCCC#N	10777
+c1cc(ccc1OCCC)C2(CCN(CC2)Cc3ccccc3)O	251
+C1CC(CCN1Cc2ccccc2)(O)c3ccc(cc3)OC	251
+C1CC(CCN1)COc2ncc(-c3ccc(cc3)S(=O)(=O)C)cc2	25
+C1CC(CCN1)N(CCO)CCCO	25
+C1CC(CCN1)NCC(O)COc2cccc3c2c4c([nH]3)cccc4	25
+C1CC(CCN1)Nc2cccnc2-c3nc4cc(OC)cc(OC)c4c(O)n3	25
+c1cc(ccc1C(c2c(Cl)cccc2)OC3CCNCC3)Cl	25
+C1CNCCC1n2c3ccccc3cc2	25
+c1cc(ccc1)CN2CC=C(CC2)COCc3ccccc3	10778
+c1cc(ccc1)CN2CCC(OC(=O)c3cc(c(N)cc3)OC)C2	0
+C1CC2(CCN1Cc3ccccc3)Cc4c(C2)ccc(OC)c4	414
+C1CNCCC12COC(=N2)c3ccc(cc3)OCCCN4CCCC4C	25
+C1CNCCC12c3ccncc3NC2=O	25
+c1cc(ccc1)CN2CCC3(CCC2)Oc4c(cc(C=CC(O)=O)cc4)C(C3)=O	127
+C1C2Cc3c(C2CNC1)ccs3	25
+C1C2Cc3ccsc3C2CNC1	25
+N1CC(c2cc(ccc2)OC)=CCC1	5066
+c1cc(ccc1)CN2CCCC(Oc3c4c(c(oc4ncn3)-c5ccccc5F)-c6ccc(cc6)OC)C2	2741
+c1cc(ccc1)CN2CCCC(Oc3nnc(cc3)-n4cncc4)C2	485
+c1cc(ccc1-c2c(-c3ccccc3F)oc4c2c(OC5CCCNC5)ncn4)OC	25
+C1C(CNCC1)Oc2nnc(-n3ccnc3)cc2	25
+C1(CCCCNC1)CO	25
+c1ccccc1CN2C(CNCC2)CCOC	25
+C1CCN(C1)C2C3N(C(Cc4cc(c(Cl)cc4)Cl)=O)CCNC3CCC2	25
+C1CC(CCN1c2ncncc2)C(N3CCN(CC3)Cc4ccccc4)=O	54
+c1cc(ccc1)CN2CCN(CC2)C(=O)Nc3nccc(Oc4cnc(cc4)N)c3	161
+c1cc(ccc1)CN2CCN(CC2)c3ccc(c(c3)C(O)=O)N	0
+C1CNCCN1c2nccc3c2cc(N(C)C)cc3	25
+C1CN(CCN1)c2ncccc2C(=O)OCC	25
+C1CN(CCN1c2c(CO)cccn2)Cc3ccccc3	351
+c1cc(ccc1)CN2CCNCCC2	215
+c1cc(ccc1Cl)-c2n(C)c3ccc(cc3c2CCC(=O)N4CCN(CC4)Cc5ccccc5)Cl	10
+C1CN(CCN1C(CNC(=O)c2ccc(cc2)Oc3ccccc3)=O)Cc4ccccc4	10
+C1CN(CCN1CC=2C(=O)N(CC(C)C)N=C(c3ccc(cc3)C)C=2)Cc4ccccc4	3909
+c1cc(ccc1F)NC(CCN2CCN(CC2)Cc3ccccc3)=O	1531
+c1cc(ccc1N2CCN(CC2)Cc3ccccc3)[N+]([O-])=O	34
+c1cc(ccc1)CN2CCOC(CCCN)C2	51
+c1cc(ccc1)CN2CC(CCO)OCC2	44
+c1cc(ccc1)CN2CCOC(COc3ccc(cc3)Br)C2	450
+c1cc(ccc1-c2ccnc(C)c2)OCC3CNCCO3	25
+c1(c2CNCc2ccc1)C#N	25
+c1cc(CO)cc2CNCc12	25
+c1cc(ccc1)CN2Cc3c(ccc(CO)c3)C2	98
+c1ccccc1CN2N=C(C(=CC2=O)C(N=[N+]=[N-])C)c3ccccc3	10779
+c1cc(ccc1)CN2N=C(C(=CC2=O)C(O)C)c3ccccc3	10780
+c1cc(ccc1)CN2N=CC(=C(C2=O)OC)c3ccc(cc3)C	10781
+C1CC1(NC(=O)c2nc(-c3cccnc3)c4N(Cc5ccccc5)C(C(=Cc4c2O)c6ccccc6)=O)C(=O)O	3
+c1cc(ccc1)CN2c3c(ccc(Cl)c3)OC(C(=O)O)C2	3
+c1cc(ccc1)CNC(=O)N2C(C(N3C(C(O)CCO)CCC3)=O)CCC2	44
+c1ccccc1CNC2(CC2)c3ccc(cc3)C#Cc4ccc(cc4)C(=O)OCC	129
+c1cc(ccc1)CNC2CCN(CC2O)CCN	51
+CCOC(C1COCCC1N)=O	273
+c1cc(ccc1)CNC2C=Cc3c(CC2)ccc(c3)N	0
+c1cc(ccc1)CNC2CCC(CC2)CN	102
+C1CC(CCC12COC2)N	273
+C1(CCCN(C(=O)OCC)CC1)N	273
+n1cccnc1NCCN2CC(O)C(CC2)NCc3ccccc3	96
+NC1CCc2ccc(OC)cc2C1	273
+c1cc(ccc1)CNC2C=Cc3c(ccc(c3)[N+]([O-])=O)CC2	1358
+c1cc(ccc1)CNC2CCc3c(cc(cc3)[N+]([O-])=O)C(O)C2	74
+c1cc(ccc1)CNCCCNc2cc(c(cc2N)C)C	0
+c1cc(ccc1)CNCCn2c3ncnc(N)c3c(n2)-c4cc(cc(O)c4)F	5
+c1cc(ccc1)CN(O)C(=O)c2nccc(N(C)Cc3ccccc3)c2	1006
+c1cc(F)c(N)cc1C2C(C2)C(OCC)=O	1197
+Nc1c(C(=O)OC)cnc(Cl)c1	1197
+c1ccccc1CNc2cc(Br)ccc2N	0
+c1ccccc1CNc2ccc(-c3oc4c(cccc4)n3)cc2N	0
+c1cc(ccc1)CNc2nc(C)c(C(CCC)C(=O)O)c(-c3ccc(cc3)C)n2	4
+CC(C)n1nc(-c2sc(Cl)cc2)c(-c3ccnc(N)n3)c1	10782
+c1cc(ccc1)CNc2nc3ccc(O)c(C(=O)O)c3nc2-c4ccccc4	5
+c1ccccc1COC(Nc2ncc(CCCC)cc2)=O	10783
+c1cccc2CC(Cc12)(C)NC(OCc3ccccc3)=O	3790
+c1ccccc1COC(c2ccc(cc2)CC(C)=O)=O	279
+c1cc(ccc1)COc2c3c(cnn2)cc(C)n3Cc4ccc(cc4)OC	10784
+c1cc(ccc1)C2=CC(C(OCc3ccccc3)=O)=C4c5c(CN4C2=O)cccc5	10785
+c1ccccc1COc2ncc3nc([nH]c3n2)-c4c(cc(OCc5ccccc5)cc4)OC	482
+c1cc(ccc1)COc2ccnc(n2)Cl	145
+c1ccccc1COC(=O)C2C(CC(CN2)OC)C(OC)=O	3165
+c1ccccc1-n2nc(cc2OCC(N3CCCC3C(O)=O)=O)C(OCC)=O	210
+CCN1CC(CC1)C(=O)O	210
+c1ccccc1CCN=C2NC(=C(C)N(C2=O)CC(=O)OCc3ccccc3)Cl	10786
+c12c(cccc1)C(=O)N(C2=O)CCCC(NC)CO	62
+c1cc(ccc1C)S(=O)(=O)OCCCN(C(OCc2ccccc2)=O)CC	36
+c1cc(ccc1)C2(C3C(CCCC3)NCC2)O	62
+c1cc(ccc1S(=O)(=O)OCC2CN(CC2=NOC)C(=O)OCc3ccccc3)C	36
+C1NCC(Nc2c(C(=O)N)cnn3c2cc(c3)Br)C1C	62
+c1cc(ccc1)COC(N2CCCC(C2)C(C)N)=O	18
+C1(C(OCCF)CNC1)Nc2c(nc(c(CC)n2)-c3ccc(OC)cc3Cl)CC	62
+c1cc(ccc1)COC(N2CC(C(N)C2)OC)=O	18
+c1cc(ccc1)COC(N2CC(C(N)C2)C)=O	18
+c1cc(ccc1)COC(=O)N2CC(F)C(C2)N	18
+C1CCCC(n2cc(-c3cc4c(cc3)n(cc4)CC5CNCC5)cn2)O1	62
+c1cc(ccc1I)-c2c(c(n(C3CCCN(C3)C(OCc4ccccc4)=O)n2)N)C#N	2356
+c1cc(ccc1F)-c2nc(oc2)C3CCCNC3	62
+c1cc(ccc1)COC(=O)N2CCCCC(C2)C=O	24
+COC1C(Nc2c(C(=O)N)cnn3c2cc(c3)Br)CNC1	62
+c1cc(ccc1)COC(=O)N2CC(Nc3nc(CC)cnc3CC)C(C2)O	464
+c1cc(ccc1S(=O)(=O)OC2C(CC)CN(C(=O)OCc3ccccc3)C2)C	36
+O1CCNCC1CCC#N	62
+CC(C)c1nc(c(cc1)-c2c(C)cc3c(c(C)cn3C4CNCC4OCCF)n2)OC	62
+c1cc(ccc1)COC(N2CCC(C(N)c3ncco3)C2)=O	18
+c1cc(ccc1S(=O)(=O)OCC2CN(CC2)C(=O)OCc3ccccc3)C	36
+C1CC(CCN1C(OCc2ccccc2)=O)c3ccccc3SC	564
+C1CNCCC1C2CC2CCO	62
+C1CNCCC1C2CC2CCOc3cc(F)c(CC(=O)N4CCC4)cc3	62
+c1cc(ccc1)COC(=O)N2CCC(CC2)CCCCCO	44
+c1cc(ccc1C)S(=O)(=O)OCCCCCC2CCN(CC2)C(=O)OCc3ccccc3	36
+C1CN(CCC1C=O)C(OCc2ccccc2)=O	24
+C1CNCCC12CC(c3c(O2)cccc3)=O	62
+c1cc(ccc1)COC(=O)N2CC(CCC2)c3occ(n3)-c4ccc(cc4)F	2435
+c1cc(ccc1)COC(N2CCCC(CN)C2)=O	18
+c1ccccc1NCC2CN(C(OCc3ccccc3)=O)CCCC2	291
+C1CN(CCN1C(OCc2ccccc2)=O)CC3CN(CCC3)CCCc4ccc(cc4)S(=O)(=O)C	1306
+C1CNCCN1c2cc3c(n[nH]c3cc2)S(=O)(=O)c4c5c(ccc4)cccc5	62
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3nc(c4c(n3)cccc4)OC5CC(C=C5)O	10787
+C1COCCN1c2c3c(CCNCC3)nc4ccnn24	62
+C1OC(CCC1)ONC(c2cc3c(cc2)CNCC3)=O	62
+NC(CCCCCC(NC)=O)c1[nH]c(-c2c(nc3c(cccc3)c2)OC)cn1	102
+c1(c(nc2c(cccc2)c1)OC)-c3cnc(o3)C(CCCCCC(NC)=O)N	102
+c1cc(ccc1)CC(NC(=O)OCc2ccccc2)C=O	24
+c1cc(ccc1)COC(NC2CCCCC2C=O)=O	24
+c1ccccc1Cn2c3C(N(c4c(cccc4)-c3nc2C5CCCC(C5)N)C)=O	102
+c12c(cc(F)cc1)CCC(N(CC3CCCCC3N)C)C2	102
+C(OCC)(N1CCC(N)C(OCC)C1)=O	102
+c1cc(ccc1F)N2C(=O)c3ccccc3N=C2CNC(OCc4ccccc4)=O	10788
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(=O)Oc2ccc(cc2)[N+](=O)[O-]	2850
+c1cc(ccc1)COC(=O)Nc2c3ccccc3c(c([N+](=O)[O-])c2)CC(=O)O	3
+c1cc(ccc1)COC(=O)Nc2cc([N+]([O-])=O)c(CCO)c3c2cccc3	21
+c1cc(ccc1)COC(=O)Nc2cc3c(c4c(cnc(C(O)=O)c4[nH]3)-c5ccccc5F)cc2	6
+c1cc(ccc1)COC(c2c([nH]nc2C=O)C)=O	178
+c1cc(ccc1)-c2c(c3c(cc(OC)cc3)n2S(=O)(=O)c4ccccc4)Cc5nc(ccc5)C(O)=O	426
+c1c(C)c(OCC(=O)OCC)ccc1Oc2cc(C(=O)O)ccc2	426
+c1ccccc1COC(=O)c2n(ccc2)-c3cc(ccc3)C(O)=O	1
+c1cc(ccc1)COC(=O)c2cccc(Cc3c4c(n(S(=O)(=O)c5ccccc5)c3-c6ccccc6)cc(OC)cc4)n2	367
+c1ccccc1COC(C(CC(C)C)C(O)=O)C(OC)=O	2819
+CC(C)CC(NC(=O)C(C)NC(=O)C(C)NC(C)=O)C(=O)O	210
+c1ccccc1COC(C)C2=NNC(N2CCC)=O	2082
+C1CC(CCC1C(=O)OCc2ccccc2)C=COC	10789
+C1CC(CCC1C(=O)O)CC(=O)OCC	210
+c12-c3ccccc3C(c1cccc2)(O)C(N4C(C(O)=O)CCC4)=O	210
+c1ccccc1COC(NC(Cn2ncc3ccc4c(cc(o4)C(=O)OCc5ccccc5)c23)C)=O	10790
+c1cc(ccc1)COC(=O)CC2(CCCC2)C(NC(c3nnn[nH]3)Cc4ccc(cc4)-c5cc(Cl)ccc5)=O	9
+C(COC)N(CCOC)CC(=O)O	210
+C1CN(CCN1c2ccc(cc2)Br)C(OCc3ccccc3)=O	66
+c1cc(ccc1)COC(N2CCC3(CC2)C(Nc4ccc(Cl)cc4C(c5ccc(cc5)Cl)=N3)=O)=O	66
+c1cc(ccc1CCNC(OCc2ccccc2)=O)N	101
+c1cc(ccc1C(=O)O)CNC(OCc2ccccc2)=O	101
+c1cc(ccc1CN2c3c(NC4C(CCC4)C2=O)cccc3)NC(=O)OCc5ccccc5	90
+O=S(=O)(c1ccc(cc1)NC(OCc2ccccc2)=O)N3CCC(CC3)NC(=O)C=C	90
+c1cc(ccc1N2CCN(CC2)C(OCc3ccccc3)=O)[N+]([O-])=O	66
+c1ccccc1COC(Nc2ccc(cc2)O)=O	90
+c1ccccc1COC(=O)NC(C(O)=O)Cc2ncn(CC=C)c2	544
+c1cc(ccc1)COC(=O)Nc2ccc(c(c2)F)-n3nc(cc3)-c4ccccn4	90
+n1cc(cnc1NCC2CCN(CC2)C(=O)OCc3ccccc3)-c4ccc(cc4)S(=O)(=O)C	66
+c1ccccc1COC(NC(Cn2c3c(cn2)ccc(O)c3)C)=O	101
+c1cc(ccc1F)C(c2cc(cnc2)CN3C(C(NC(=O)C(C)N(C)C(=O)OCc4ccccc4)=CC=C3Br)=O)=O	10791
+c1cc(ccc1)COC(N(Cc2c(-c3c(OC)ccc(c3)CC(OCC)=O)ccc(c2)N)CC)=O	0
+c1cc(ccc1)COC(=O)N2C(CCCC2CC=O)C(=O)OC	1156
+c1cc(ccc1)COC(=O)N2CC(=NOC)C(CO)C2	44
+N1CC(CC)C(Nc2c(C(=O)N)cnn3cc(-c4cnc(cc4)CNC(=O)COC)cc23)C1	62
+C1C(CN1)C(N2CCN(C3CCC3)CCC2)=O	62
+c1cc(ccc1)COC(N2CC(CC)C(C2)N)=O	18
+c1(OC)n(c2nc(nc(N)c2n1)OC(CCC)C)CCC3CCCNC3	62
+c1cc(ccc1)COC(N2CC(C(C2)=NOC)CN)=O	18
+C(OC1CNCC1Nc2nc(cnc2CC)CC)C	62
+c1cc(ccc1)COC(N2CCOC(CNC(Nc3ccc(cc3)Cl)=O)C2)=O	282
+c1(C(N)C2CCNC2)ncco1	62
+C1CNCCC1n2ccc3c2cc(C(=O)N)cc3	62
+c1cc(ccc1)COC(N2CCC(CC2)n3c4c(cc3)ccc(C(O)=O)c4)=O	1
+C1CNCCC1n2ccc3c2cc(C(=O)NC)cc3	62
+c1cc(ccc1)COC(=O)N2CC(CC2)(F)CO	59
+C1CC(CCC1)N(CC(OC)=O)C2CCNC2	62
+c1cc(ccc1C2=NC3(CCNCC3)C(=O)Nc4ccc(cc24)Cl)Cl	62
+c1cc(ccc1)COC(N2CC(CCC2)CCCCn3c4nc(OCCCC)nc(c4nc3OC)N)=O	2658
+C1CNCCN1C(=O)C(CC(C)C)NC(c2cc3ccccc3s2)=O	62
+O=S(=O)(c1ccc(cc1)O)NCC(N2CCN(CC2)C(OCc3ccccc3)=O)C(OC)=O	71
+c1cc(ccc1)COC(N2CCOC(CCO)C2)=O	59
+C1(CNc2c(O1)cccc2)COCC=C	2931
+c1cc(ccc1)COC(NC(C)(C)C=2N(C)C(C(=C(N=2)C(=O)NCc3ccc(cc3)F)OC(=O)c4ccccc4)=O)=O	10792
+c1cc(ccc1F)CNC(C2=C(C(=O)N(C)C(C(C)(C)NC(=O)OCc3ccccc3)=N2)O)=O	10793
+c1(c(C2=NC(C)C(Nc3ccc([N+]([O-])=O)cc23)=O)cccc1)F	10794
+c1ccccc1COC(=O)NC2C(CC(=O)CC2)NC(OCc3ccccc3)=O	86
+o1c(nc(C(=O)OCCCC)c1CC)N2CC(OCCC)C(N)CC2	102
+c1cc(ccc1)COC(=O)NCC(Nc2c(C(=O)O)cccc2)=O	1
+C1(CN)CCN(c2nc(-c3ccccc3O)nc4ccc(cc24)F)C1	102
+c1cccc(-c2nc(c3c(n2)cc(C)cc3)N4CCCC(CN)C4)c1O	102
+c1cc(ccc1)COC(Nc2ccc(cc2)Oc3ccc(nc3)N)=O	161
+c1cc(ccc1)COC(Nc2ccc3c(c2)[nH]cc3C(c4ccccc4F)CN)=O	157
+c1(cc2c(c[nH]c2cc1)Cc3c(cc(C(=O)OC)cc3)OC)C(=O)O	426
+c1cc(ccc1)COCc2ccc(C)c(c2)OCc3ccccc3	49
+C1CC1n2nc3ccc(cc3c2C)N4C=CC(O)=CC4=O	923
+C1CC1c2nc3ccc(cc3n2C)N4C(=O)C=C(O)C=C4	923
+Cc1n(nc2ccc(N3C=CC(O)=CC3=O)cc12)C	923
+c1(cccc(F)c1)CN2C(=O)C=C(O)C=C2	923
+C1=CC(O)=CC(N1CCCC)=O	923
+C1CC1c2c(C)n3c(ccc(c3)N4C=CC(O)=CC4=O)n2	923
+C1CN(CCC1c2ccc(N3C(OC(C3)CN=Cc4ccccc4)=O)cc2F)C(COCc5ccccc5)=O	58
+c1cc(ccc1)COCC(C(=O)Nc2cc(cnc2Cl)Cl)Oc3c(F)c(C#N)c(F)cc3	274
+c1cc(ccc1)COCC(CO)c2c(cc(cc2)Br)C	21
+c1ccccc1COCC(C)(C)C(=O)N(c2ccccc2)CC(=O)OCC	10795
+c1cc(ccc1C)-n2nc(cc2N)C(C)(C)COCc3ccccc3	752
+FC(F)(CO)CCCOC	118
+c1cc(ccc1)COCC(Nc2c(ccc(OC)n2)[N+]([O-])=O)CO	70
+c1cc(ccc1)COCC(C(O)=O)Oc2c(c(C(=O)N)c(F)cc2)F	4
+OB(O)c1ccc(C(CF)CO)c(C)c1	118
+c1ccccc1COCC2CNCCN2	10796
+C1C(CC1=O)COCc2ccccc2	2744
+c1cc(ccc1)COCC2CN(c3ccn(n3)C)C(C2)=O	4034
+C1C(CC1N2C(NC(C(F)=C2)=O)=O)CO	118
+c1ccccc1C2(C(C2)CO)CN(S(=O)(=O)c3ccccc3)C	118
+OCC1COCc2nc3c(N)nc4c(c3n12)cccc4	118
+OCC1COCc2nc3cnc4ccccc4c3n12	118
+c1cc(ccc1)COCC2COCc3nc4c(c5ccccc5nc4N)n23	445
+c1cc(ccc1)COc2c(OCc3ccccc3)ccc(-c4ccc(cc4)C(OCCOCc5ccccc5)=O)c2	1908
+c1cc(ccc1)COCCOC(C)COc2ccc(cc2)OC	176
+c1cc(ccc1)COCCCN2C(=O)C3(c4c(OC3)cc5OCOc5c4)c6ccccc26	20
+c12OCOc1cc3C4(C(N(c5c4cccc5)CCCO)=O)COc3c2	118
+c1cc(ccc1)COCCCN2c3ccccc3C(C2=O)c4c(O)cc5OCOc5c4	462
+C1CN(CCC1)c2nc(C#N)nc3N(CCO)CCNc23	118
+c1cc(ccc1)COCCOC(C)CO	10797
+C(OC(=O)CCOCCO)C	118
+c1ccccc1COCCOc2c(cc(OC)cc2)CNc3cc(F)ccc3Oc4ccccc4	208
+c1cc(ccc1)COCN2C(C(=C(N(C)C2=O)c3c(cc(cc3)O)C)C)=O	241
+c1ccccc1COc2c(C)ccc(CO)c2	118
+c1(c2cc(ccc2nc(n1)CO)OC)NCc3ccc4OCOc4c3	118
+C1CC1Oc2c(ccc(-c3[nH]c4c(c(O)nnc4)c3Cc5ccccc5F)c2)OC(F)F	10798
+c1cc(ccc1)COCn2cc(CCCC=O)c3nc(CCCC)nc(c23)N	24
+c1cc(ccc1)COCn2c3c(nc(CCCC)nc3c(CCCCO)c2)N	2065
+c1cc(ccc1)CON2CC=CCC(NS(=O)(=O)c3ccc(cc3)F)C2=O	1946
+c1ccccc1CON2c3c(cc(C(O)=O)cn3)C(=C(C(OCC)=O)C2=O)O	1
+c1cc(ccc1)CON2C(=O)N3C(CCC2C3)C=O	24
+c1cc(ccc1)CON2C(N3CC2CCC3C(=O)O)=O	4
+c1cc(ccc1)CON2C(N3CC2CCC3C(=O)O)=O	3
+c1cc(ccc1)CON2C3CCC(CO)N(C3)C2=O	44
+c1cc(ccc1)CON2CC(CCCCC=C)C2=O	10799
+CC1(C)CCC(CC1)Cc2cc(c(-c3ccccc3)c(O)n2)OCOP(=O)(O)OCc4ccccc4	4406
+c1cc(ccc1)COc2cc(c(Br)cc2C(O)=O)OCc3ccccc3	426
+c1cc(ccc1)COc2c(cccc2-c3ccccc3)C(c4cc(ccc4)-c5c(cccc5)OC)C	4273
+c1cc(ccc1)COc2c(C(c3cc(-c4c(OC)cccc4)ccc3)=C)cccc2-c5ccccc5	2855
+C1CCCN1c2nc(c(O)c(C)c2C)C	321
+c1ccccc1COc2c(C)c(C)c(nc2C)NCc3ccccc3	340
+C(CCCCCCCCCCNc1c(c(c(c(C)n1)O)C)C)CCCCC	321
+O(C)c1c(c(c(OC)c(OC)c1OC)C)Cc2c(c(C(OC)=O)ccc2)O	16
+CC(C)c1[nH]nc(OC2C(C(C(C(O2)CO)O)OC(C)=O)O)c1Cc3c(OCc4ccccc4)cccc3	59
+c1cc(ccc1)COc2c(Cc3c([nH]nc3OC4C(OC(=O)C)C(OC(=O)C)C(O)C(CO)O4)C(C)C)cccc2	59
+c1cc(ccc1)COc2cc(C=O)ccc2Cc3ccc(cc3)CC	39
+c1cc(ccc1)COc2c(Cc3ccc(cc3)CC)ccc(CO)c2	59
+c1cc(ccc1)COc2c(cc(OC(c3ccccc3)=O)cc2C)Cl	1039
+c1ccccc1COc2c(nccc2)NC(N)=S	401
+c12nc(Cc3cc(c(cc3)O)OC)n4nc(nc4c1ccc(NCCCO)c2)N	16
+C1CN(CCC1)CCOc2ccc(cc2)Oc3c4ccc(cc4ccc3O)OC	16
+c1c(Cl)c(ccc1Cl)Oc2cc(C#N)c(cc2O)Cl	16
+c1ccccc1COc2ccc3c(c2N)CCC4C5C(CCC34)(C(CC5)=O)C	0
+c1ccccc1COc2cc3CCC4C(c3cc2N)CCC5(C)C4CCC5=O	0
+c1ccccc1COc2c(CO)c(C)cc(C)n2	269
+c1cc(ccc1)COc2ccc(c(c2F)F)N	0
+c1c(O)c(cc(c1-c2c3c(sc(C#N)c3)nc(N)n2)Cl)Cl	16
+c1cc(ccc1)COc2c(cc(Cl)c(-c3nc(N)nc4sc(C#N)cc34)c2)Cl	4965
+c1c(O)c(cc(c1-c2c3c(sc(C(NCC)=O)c3)nc(N)n2)Cl)Cl	16
+c1cc(ccc1)C(Oc2cc(c(O)c(c2)C)Cl)=O	16
+c1cc(ccc1)COc2cc(F)c(F)cc2N	0
+c1c2c(c(cnc2cc3c1cc(c(c3)O)OC)C#N)O	16
+c1ccccc1COc2c(OCc3ccccc3)ccc(C=4Oc5ccccc5C(=O)C=4OCc6ccccc6)c2	3603
+c1cc(ccc1)COc2c(ccc(c2)CC)Oc3ccc(O)cc3F	173
+c1cc(ccc1Cc2c(OCc3ccccc3)cccc2)Br	452
+c1cc(ccc1)COc2c(Cc3c(n[nH]c3C(C)C)OC4C(C(OC(=O)C)C(C(O4)CO)OC(=O)C)OC(C)=O)cccc2	59
+c1cc(ccc1)COc2c(C(c3cc(ccc3)-c4c(cccc4)OC)(C)O)cccc2-c5ccccc5	2157
+c1ccccc1-c2c(O)c(C(C)c3cccc(-c4c(OC)cccc4)c3)ccc2	16
+O(C)c1c(c(c(OC)c(OC)c1OC)C)Cc2c(c(ccc2)C(=O)O)O	16
+c1cc(ccc1)COc2c(C(=O)O)cccc2CC=3C(C(OC)=C(OC)C(C=3C)=O)=O	1450
+c1ccccc1COc2c(CO)cccc2C	98
+c1cc(ccc1)COc2nn(C)cc2CO	536
+c1ccccc1COc2cccnc2Nc3nc(cs3)CCN	45
+c1cc(ccc1)COc2c3CCC(=Cc3ccc2)CO	10800
+c1cc(ccc1)COc2c3CCC(=Cc3ccc2)C(=O)OC	10801
+S(C)c1cc(ccc1Cl)Nc2c3c(n(C4C(C#N)CCOC4)n2)ccnc3O	700
+Clc1cccc(c1)-c2onc(C(C)Oc3n(c(-c4cc(ncc4)O)nn3)C)c2	700
+c1cc(ccc1)COc2c(OCc3ccccc3)ccc(-c4ccc(cc4)C(=O)O)c2	11
+c1cc(ccc1)COc2cc(C(=O)O)cc(OC)c2Br	1
+C1(CCOC1)Oc2cc(cc(O)c2)C(=O)OC	16
+c1cc(ccc1)COc2cc(cc(c2)C(O)=O)OC3CCOC3	1
+c1cc(ccc1)COc2cc(COC3CCCCO3)nc(C(=O)O)c2	6
+Cc1nn2C(=O)CC(C)=Cc2c1C(=O)OCC	10802
+Clc1cc(cc(c1)CC(OC)=O)O	16
+c1c(cccc1CCCn2nncc2)O	16
+C1CC(CCO1)(c2cc(F)cc(O)c2)C(OCC)=O	16
+C1COCCC1(c2cc(OCc3ccccc3)cc(F)c2)CO	44
+c1cc(ccc1)COc2cc(cc(F)c2)C(CO)(CC)O	95
+c1cc(ccc1)COc2cc(cc(C(=O)Nc3nn(C)cc3)c2)OC(C)COC	650
+c1cc(ccc1)COc2cc(cc(c2)OC(C)COC)C(=O)Nc3nn(cc3)CC	650
+c1cc(ccc1)COc2cc(cc(c2)OC(C)COC)C(=O)Nc3cnc(cn3)C	1351
+C(OC)C(Oc1cc(cc(O)c1)C(=O)OC)C	16
+c1cc(ccc1)COc2cc(OC(C)COC)cc(C(O)=O)c2	1
+c12oc(cc1c(cc(OC)c2)O)-c3cn4nc(sc4n3)OC	16
+C1(CCOC1)Oc2cc(C(Nc3ncc(C)nc3)=O)cc(O)c2	16
+c1cc(ccc1)COc2cc(cc(C(O)=O)c2)OCCCCCCCCCCCCCCCCCC	1
+c1cc(ccc1-c2oc(C)nn2)Oc3cc(cc(c3)O)C(=O)OC	16
+c1cc(ccc1)COc2cc(N)cc(Br)c2	0
+C(=O)(OCC)c1sc2c(c(-c3cc(O)c(cc3Cl)Cl)nc(N)n2)c1	16
+c1cc(ccc1Oc2c(C(C)=O)c(OCc3ccccc3)cc(OCc4ccccc4)c2)[N+]([O-])=O	46
+C(OC)C(Oc1cc(C(Nc2ccn(C)n2)=O)cc(O)c1)C	16
+c1cc(ccc1)COc2cc(cc(OCc3ccccc3)c2)C4=CC(=O)c5c(cc(O)cc5)O4	3166
+c1cc(ccc1)COc2c(c(Oc3ccc(cc3)[N+]([O-])=O)cc(c2)OCc4ccccc4)-c5cc(C(=O)O)no5	6
+c1ccccc1COc2c3c([nH]c(c3)C(OCC)=O)cc(c2)C	3056
+c1cc(ccc1)COc2cc(OC3CCOC3)cc(c2)C(Nc4cnc(cn4)C)=O	1351
+c1ccccc1-c2cc(cc(c2)OCc3ccccc3)CC(O)=O	3
+C(OC)C(Oc1cc(C(Nc2ncc(C)nc2)=O)cc(O)c1)C	16
+c1n(nc(c1)NC(=O)c2cc(OC(COC)C)cc(c2)O)CC	16
+c1cc(ccc1)COc2cc(-c3ncc(C)o3)cc(OC)c2Br	2996
+c1cc(ccc1)COc2cc(C(=O)O)cc3cc(ccc23)C#N	6
+c1cc(ccc1)-c2c(ncc(N(CCc3cccc(OCc4ccccc4)c3)C)n2)-c5ccccc5	317
+c1cc(ccc1Cc2ccc(cc2O)CC(N)=O)CC	16
+CN(C)c1c(O)cc2c(C3CCC4(C(CCC4=O)C3CC2)C)c1	16
+C(C)OC(c1n(c2c(c(Cl)cc(c2)O)c1)C)=O	16
+c1cc(ccc1Oc2c3c(ncc2)cc(O)cc3)[N+]([O-])=O	16
+c1ccccc1COc2c(F)ccc3c2ccn3-c4ccc(c(F)c4)OCc5ccccc5	3005
+C1CC1(c2ccc(c(O)c2)OCc3ccccc3)C#N	16
+c1ccccc1CNC(=O)c2c(C)nc(N3C=C(C=CC3=O)OCc4ccccc4)s2	10803
+c1cc(ccc1)COc2nc(N)c(cc2)N	13
+c1(nc(ccc1F)C(OC)=O)-c2c(ccc(O)c2F)F	16
+c1(ccc(c(F)c1F)O)N	16
+c1cc(ccc1)COc2nc(c3c(c4ccc(OC)cc4[nH]3)c2)C	10804
+c1cc(ccc1)COc2ccc(cc2)CC(CCC(O)=O)NC(CCCCCCc3ccccc3)=O	4
+c1cc(ccc1O)CC(C)(CCCc2ccccc2)C(=O)OCC	16
+c1cc(ccc1)COc2cc(O)c(OCc3ccccc3)cc2	173
+c1cc(ccc1)COc2ccc3c(ccc(c3)Cn4cc(c(-c5ccccc5)c4)C=O)c2	200
+c1cc(ccc1)COc2c(c(-c3scc(C(O)=O)n3)ccc2)OCc4ccccc4	6
+Nc1nc2c(CCN(CC=Cc3cccc(O)c3)CC2)s1	16
+O=C1N(c2c(cc(Oc3cccc(c3)O)c(N)c2)N1C)C	16
+c1(cccc(O)c1)Oc2cc3B(O)OCc3cc2	16
+C1C(CC(=O)N1c2cccc(C(=O)N)c2)c3cccc(O)c3	16
+c1cc(ccc1)COc2cc(ccc2)CCNC	695
+c1cc(ccc1)COc2c3CCC(C(OC)=O)C(O)c3ccc2	2261
+O=S(=O)(n1c2cccc(c2cc1)O)c3ccccc3F	16
+c1cc(ccc1)COc2c(cccc2)C(O)c3ccc(cc3)Br	257
+c1cc(ccc1SC)C(c2c(OCc3ccccc3)cccc2)O	257
+c1cc(ccc1)COc2ccccc2OCCO	168
+c1ccccc1COc2ccncc2O	2942
+CC1(C)COC(CO1)CNc2c(ccc(O)n2)F	700
+Cc1nc(cc2c3ccc(OC)cc3[nH]c12)O	700
+c1ccccc1COc2c(CO)c(cc(C)n2)OC	351
+Clc1cccc(Cl)c1-n2c3c(nc2)ccc(n3)O	700
+c1nc(O)ccc1OCOC	700
+Clc1ccc(c(Cl)c1)-c2c(c(ncc2)O)[N+]([O-])=O	700
+c1cc(ccc1Nc2c3c(nccc3n(C(CC#N)C)n2)OCc4ccccc4)S(=O)(=O)N(C)C	781
+c1ccccc1COc2nn(C)cc2C=O	576
+c1cc(ccc1)COc2c(CC#N)cn(C)n2	881
+c1ccccc1CSC(C)(CN)CCO	157
+c1cc(ccc1)CSC2(CCOCC2)CN	157
+c1cc(ccc1)CSCc2cc(Cl)ccc2Oc3cc(CC(O)=O)ccc3OC	3
+c1cc(ccc1)CSc2c(cc3N(c4cc(c(Br)cc4OC)Cl)C(=O)C=Cc3c2)F	10805
+c1cc(ccc1Cc2ccccc2)-c3nn(C4CN(CCC4)C(OCc5ccccc5)=O)c(c3C#N)N	2300
+c1cc(ccc1)Cc2cc3cc(ccc3nc2Oc4ccc(F)cc4C(C)=O)N	0
+c1cc(ccc1)Cc2c(-c3ccccc3)n(C)c4ccc(-c5ccc(cc5)O)cc24	5
+c1cc(ccc1)Cc2cccc(c2)CN	162
+c1cc(ccc1)Cc2cc3c([nH]cc3CC[N+](=O)[O-])cc2	3068
+c1cc(ccc1)Cc2ccc3c(c(c[nH]3)CCN)c2	157
+c1cc(ccc1)Cc2cc3c(oc(-c4ccc(C(=O)C)cc4F)c3)cc2	155
+c1ccccc1Cc2cc3c(ccc(-n4cc(-c5ccccc5)nn4)c3)nc2Oc6c(C(=O)C)cc(cc6)F	2274
+c1cc(ccc1O)-c2ccc(C)n2CCCOc3ccc(cc3)Cc4ccccc4	16
+c1cc(ccc1)Cc2cnc(nc2)N3CCN(CC3)c4nc(ncn4)Nc5cnn(c5)CC(CO)O	265
+c1cc(ccc1)Cc2c(nc(C=C)c(-c3ccc(cc3C=C)OC)n2)N	4930
+c1cc(ccc1)Cc2onc(CCC=O)n2	598
+c1cc(ccc1)Cc2onc(CCCO)n2	237
+c1ccccc1Cc2nc(no2)CCCN3C(N(c4c(n(CC=C)c(Cl)n4)C3=O)CCCC)=O	10806
+c1cc(ccc1)Cn2cc(C)c(-c3ccc(cc3)Cl)c2C(O)=O	6
+c1cc(ccc1)CCC(c2ccccc2)c3n(Cc4ccccc4)cnc3	10807
+c1cc(ccc1)Cn2nc(C#N)cc2C	331
+c1cc(ccc1)Cn2nc(cc2CO)OCCC	398
+c1cc(ccc1)Cn2c(CCCO)cc(OCCC)n2	44
+c1cc(ccc1)Cn2c3C(N(C(=O)N(c3nc2CCl)C)CCCCC(O)C)=O	59
+c1cc(ccc1)Cn2c3cc(ccc3c(c2)C(C(=O)O)=O)-c4cccc(Cl)c4	2249
+c1cc(ccc1)Cn2c3c(c(OCC(OCC)=O)ccn3)cc2C	10808
+c1cc(ccc1)Cn2ccc3c(cccc23)CC4SC(NC4=O)=O	534
+c1ccccc1Cn2c3c(c4c2cccc4O)cccc3F	2302
+c1ccccc1Cn2c3cccc(C(=O)OC)c3c4c(cccc24)O	2302
+c1cc(ccc1)Cn2c(cc3c(O)ccnc23)C	5
+c1(cc(cc(C)c1Oc2c3c(cc[nH]3)nc(Nc4ccc(cc4)C#N)n2)C(C)=O)C	10809
+c1ccccc1Cn2c3C(=O)N(CCCCC(O)C)C(=O)N(c3nc2CN)C	18
+c1ccccc1Cn2c3ccc(cc3c4c2cccc4O)C	2302
+c1cc(ccc1)Cn2c3c(c(c4CCCCc4c3)O)c5c(C(OC)=O)cccc25	5
+c1cc(ccc1)Cn2cc(c(n2)OCc3ccc(c(OCc4nc(oc4C)-c5ccco5)c3)OC)CO	536
+n1n[nH]cc1CCCC(=O)O	3898
+c1cc(ccc1)Cn2cc(C=O)c(n2)OCc3ccc(c(OCc4nc(oc4C)-c5ccco5)c3)OC	576
+c1cc(ccc1)Cn2c3c(nc(nc3cc2)Nc4ccc(cc4)C#N)Oc5c(C)cc(cc5C)C(C)=O	744
+C1(N(C(=O)c2nc[nH]c2N1CCCC)CC)=O	2152
+c1cc(ccc1)Cn2c3ncccc3c(C(O)=O)n2	6
+c1cc(ccc1)Cn2cc(c([N+]([O-])=O)n2)CO	536
+c1ccccc1Cn2nc(cc2C=O)OCCC	178
+c1cc(ccc1)Cn2ncc(C(=O)Nc3cn(S(=O)(=O)c4ccc(cc4)C)c5ncc(cc35)Br)c2	276
+c1cc(ccc1)-c2nc3n(ccc(c3)NC(c4c(cnn4Cc5ccccc5)C(=O)OCC)=O)n2	187
+c1cc(ccc1[N+]([O-])=O)C(=O)c2ccc(cc2)F	222
+c1cc(ccc1CC(=O)c2ccc(cc2)F)SC	94
+c1cc(ccc1CO)Oc2ccccc2	754
+c1cc(ccc1)-c2ncc(c(-c3ccccc3Cl)n2)NC(Nc4ccccc4)=O	10810
+c1cc(ccc1)NC(=O)c2c(ncc(-c3ccc(cc3)S(=O)(=O)C)n2)N	466
+c1cc(ccc1C(Nc2ccccc2)=O)OCCCCCCCCCCCCCC	50
+c1cc(ccc1)Nc2ccc(cc2)C(=O)O	230
+c1cc(ccc1CNc2ccccc2)-c3ccccc3C(=O)OC	208
+c1cc(ccc1)Nc2nc3c(cccc3)c4c2nn(Cc5ccc(cc5)OC)c4	10811
+c1cc(ccc1)Nc2ncc(c(Cl)n2)CC(C(=O)OC)c3ccc(cc3)OC	55
+c1ccccc1COC(NCCCCc2ccc(cc2)OCC(Nc3ccccc3)=O)=O	33
+c1ccccc1Nc2cccc(-c3ccccc3)c2C#N	275
+c1ccccc1Nc2cc(NC(=O)c3ccccc3)c(cc2)C(=O)OC	230
+c1cc(ccc1)NC2CN(Cc3ccccc3)CCC2	231
+c1cc(ccc1)NCC2CC(C)C(NCc3ccccc3)CC2	4704
+c1ccccc1Nc2c3ncn(C)c3nc(Cl)n2	1185
+c1nc(ncc1C(=O)OCC)Nc2ccccc2	1334
+c1ccccc1Nc2c3n(ccn3)cc(n2)Br	1638
+c1ccccc1NCc2c3c(cccc3)nc(O)c2	608
+c1cc(ccc1)Nc2nccc(-c3c(nn4ccccc34)-c5cc([N+]([O-])=O)ccc5)n2	2607
+c1ccccc1Nc2nc(CCl)nc3ccccc23	73
+c1ccccc1Nc2c3ccc(Cl)nc3ncn2	1665
+c1cc(ccc1)N(CCOc2ccc(cc2)O)C(C)C	72
+c1cc(ccc1C(=O)Nc2ccc(cc2)OC(=O)N(C)c3ccccc3)CCl	50
+c1cc(ccc1)N(C)S(=O)(=O)c2cc(c(cc2)Cl)N	0
+c1ccccc1C(c2ccc(cc2)COCCN(CC)c3ccccc3)=O	149
+c1ccccc1NCCC2OC2	4955
+c1cc(ccc1)N(Cc2ccc3cc(CC4SC(=O)NC4=O)cnc3c2)C	10812
+c1cc(ccc1)N(Cc2cc3c(cc(cn3)C=O)cc2)C	200
+c1cc(ccc1)Nc2c3nccn3nc(c2)-c4cc5c(noc5cc4)N	10813
+c1cc(ccc1)N(c2ccccc2)C(=O)OCc3cccc(OCC(O)=O)c3Cl	4
+c1cc(ccc1)N(c2ccccc2)C(CNC(=O)Nc3cccc(O)c3)=O	5
+c1cc(ccc1)N(c2ccccc2)c3cc4c(cc3)[nH]c5ccccc45	10814
+c1cc(ccc1)N(c2ccccc2)c3ccc(cc3)C=Cc4ccc(cc4)C=Cc5ccc(cc5)N	106
+c1cc(ccc1)N2C(=O)C(=C3COCCN23)C(=O)Nc4cc(c(cc4)Oc5ccnc(N)c5)F	1779
+c1cc(ccc1)N2CCC(CN)CC2=O	18
+c1cc(ccc1)N2C(=O)NCc3nc(ccc23)F	5068
+c1cc(ccc1)CN2C(=O)N(c3ccccc3)c4ccc(nc4C2)F	1083
+c1cc(ccc1)N2C(C(C(O)=O)=C3N2CCOC3)=O	108
+c1cc(ccc1)N2C(C(Nc3ncnc(N)c3C(Nc4cc(ccc4O)C(=O)N)=O)C)=Nn5ccc(c5C2=O)C	5
+c1cc(ccc1)N2CCC(CC2=O)COCC	21
+c1cc(ccc1)N2C(=O)N(CC2)C3CCNCC3	25
+c1cc(ccc1)N2CCN3C2=NC=C(c4cc(F)c(OCc5ccccc5)cc4)C3=O	3818
+c1ccccc1N2C=C(C(c3ccc(cc23)Cl)=O)CN	1426
+c1cc(ccc1)N2CC3(CCC(CC3)C(=O)O)CC2=O	3
+c1cc(ccc1)N2C(=O)CC(CC2)CO	665
+c1ccccc1N2CCN3C(=O)C(=CN=C23)c4cc(c(O)cc4)F	16
+c1cc(ccc1)N2N3CCCC3=C(C2=O)C(=O)Nc4ccc(cn4)Oc5ccnc(N)c5	1779
+c1cc(ccc1NC(=O)Nc2ccccc2)-c3c(c(cc4ccc(Cl)cc34)CC(=O)OC)C	124
+c1cc(ccc1CCNc2c3ccc(OCCCCl)cc3ncn2)NC(Nc4ccccc4)=O	124
+c1ccccc1NC(=O)Nc2ccc(cc2)Oc3cc(ncn3)Cl	124
+c1ccccc1NC(=O)Nc2ccc(cc2)Oc3cc(N)ncn3	124
+c1ccccc1NC(Nc2ccc(cc2)CO)=O	10815
+c1cnccc1CCc2c[nH]c3c2cc(NC(=O)Nc4ccccc4)cc3	124
+c1ccccc1NC(=O)Nc2cc(-c3c(c(N)sn3)C(=O)N)ccc2	124
+c1ccccc1NC(=S)Nc2c([nH]c3c2cccc3)C(OCC)=O	4721
+c1ccccc1CN2C3(CCN(CC3)C(=S)Nc4ccccc4)NC(Cc5ccccc5)C2=O	1366
+c1cc(ccc1)NC(N2Cc3cc(OCC4CCN(CC4)c5ccncc5)ccc3CC2)=S	1366
+c1cc(ccc1F)-c2nc3sc(C(N(c4ccccc4)C)=O)c(C)n3c2	3227
+n1c(cc(c2ccccc12)CBr)O	10816
+c1cc(ccc1)N2CCC(N3CCc4c3ccc(F)c4Cl)C2=O	10817
+c1cc(ccc1F)-c2cnn3c2CN(C(=O)Nc4ccccc4)CC3	10818
+c1cc(ccc1)NC(NC(CCCCNC2CC2c3ccc(cc3)F)C(=O)N4CCCCC4)=O	285
+c1cc(ccc1-c2nc(C(=O)Nc3ccccc3)c(nc2)N)C(O)=O	356
+c1cc(ccc1)NC(n2ccc3cc(ccc23)N)=O	0
+c1cc(ccc1F)-n2c(N)c(C(c3cccc([N+]([O-])=O)c3)=O)cn2	10819
+c1ccccc1Nc2c3ncn(C)c3nc(Cl)n2	1545
+c1ccccc1NCC2CCC(C(C2)C)N	273
+c1cc(ccc1)N(C(C2=C3N(C(C(c4ccc(cc4)OCc5ccccc5)=C2)=O)C=Cc6ccsc36)=O)CCOC	5069
+c1cc(ccc1)N(CCOC)C(=O)C=2C=C(C(N3C=Cc4n(cnc4C=23)C)=O)c5ccc(cc5)OCc6ccccc6	5069
+c1cc(ccc1)N2N=C(CC2=O)c3ccc(cc3)OC	10820
+c1cc(ccc1)Nc2cc(NC(=O)NCC)ncc2C(O)=O	6
+c1cc(ccc1)Nc2c(c(N)c(cc2C(OC)=O)N)F	0
+c1cc(ccc1)Nc2c(Cl)c(c(N)cc2C(OC)=O)N	0
+c1cc(ccc1)Nc2cc(nc(N)n2)-c3cc4c(c(N)n[nH]4)cc3	10821
+c1(C(=O)O)ccc2c(Nc3ccccc3C2=O)c1	358
+c1ccccc1Nc2c(C(Nc3ccccc3Cl)=O)cnc(c2)NC(NCC)=O	246
+c1cc(ccc1)Nc2ccc(cc2)C(NCC(O)=O)=O	3
+c1cc(ccc1)Oc2cccc(Nc3ccccc3)c2C#N	46
+c1ccccc1Nc2ccccc2S	10822
+c1ccccc1Nc2c(Cl)cnc(Nc3ccc(cc3)C(=O)O)n2	55
+c1cc(ccc1OCC(CNC(C)C)O)Nc2nc(c(Cl)cn2)Nc3ccccc3	55
+c1ccccc1Nc2c3c(c4c(cccc4)n2)c[nH]n3	10823
+c1cc(ccc1)Nc2nc(c(cn2)Cl)C(=O)O	1
+c1cc(ccc1)Nc2nc3c(cn2)CC(C(N3CC4CC4)=O)c5ccc(cc5)OC	10824
+c1cc(ccc1)Nc2nc(-c3c(nn4ccccc34)-c5cc(N)ccc5)ccn2	0
+c1cc(ccc1)Nc2nc(ccn2)O	104
+c1cc(ccc1)Oc2ccc(cc2)-c3nc(CCOCc4ccccc4)c(C)o3	304
+C1CC2(CCN1CCC(c3ccccc3)Oc4ccccc4)CCN(Cc5ccc(cc5)Br)C2=O	20
+c1ccccc1Oc2ccc(cc2)CCC(S(=O)(=O)C)(C(=O)OCC)C	472
+c1ccccc1OCC(n2c3cc(F)c(cc3nc2-c4ccc(cc4)Cl)F)C5CCCCC5	20
+c1ccccc1Oc2nc(OCc3c(cccc3N4C(N(N=N4)C)=O)C)ccc2	1237
+c1cccc2c1c(c3ccccc3c2Oc4ccccc4)-c5c6c(cccc6)c(C)cc5	304
+c1ccccc1Oc2nc(c(c(C)n2)C(NCCCc3ccccc3)=O)-c4cc(Cl)cc(Cl)c4	2914
+c1cc(ccc1)CN2CCC(CC2)CCNc3c(C)c(nc(c3[N+]([O-])=O)Oc4ccccc4)C	136
+c1ccccc1CN2CCn3nc(cc3C2)COc4ccccc4	20
+c1cc(ccc1)OCc2cnc(OC)cc2	20
+c1ccccc1OCc2nc3n(c2)nc(cn3)-c4c(F)cc(F)cc4	2303
+c1cc(ccc1C(=O)c2ccc(cc2)OC)Br	222
+c1cc(ccc1NC(Nc2c(cc(Cl)c3ccc(OC(=O)C)cc23)Cl)=O)CCC	446
+c1cc(ccc1F)CC2CN(CCC2)C3CCC4CN(CC34)C(=O)Nc5cc(-c6n(nnn6)C)cc(CC)c5	437
+c1cc(ccc1F)CCN2CCC(C)C(CNC(Nc3cc(CC)cc(-c4n(nnn4)C)c3)=O)C2	238
+c1cc(ccc1-c2nnnn2C)NC(=O)NCCCN3CC(CCC3)Cc4ccc(cc4)F	238
+c1cc(ccc1)OC(N(CCN2CCCc3c2ccc(N)c3)C)=O	0
+c1cc(ccc1)OC(N2C3C4CCOCC4(c5cc(ccc5C3)O)CC2)=O	173
+C12C3NCCC1(COCC2)c4c(ccc(OCC)c4)C3	10825
+c1ccccc1C2(CCC2)NC(=NC#N)Nc3cc(c(Cl)nc3)N	10826
+c1cc(ccc1NC(=O)Nc2cc(C)no2)Oc3c4cc(c(OCCOC)cc4ncc3)C#N	446
+c1cc(ccc1Cl)CC2CN(C2)CCCNC(=O)Nc3nnc(CC)s3	238
+c1cc(ccc1Cl)SC2CN(C2)CCC(CO)NC(=O)Nc3sc(nn3)CC	238
+c1cc(ccc1)OC(c2ccc(nn2)C(=O)O)C	1
+c1cc(ccc1NC(c2oc3c(cccc3)c2C)COc4ccccc4)C(OC)=O	5070
+c1cc(ccc1)OCC(Nc2ccc(cc2)C(NCCC(O)=O)=O)c3oc4c(cccc4)c3C	3
+c1ccccc1OCc2[nH]c3ccccc3n2	442
+c1cc(ccc1OC)C(=O)c2ccc(cc2)OCCCl	222
+c1ccccc1OCCNc2c3c(cccc3)ncc2[N+](=O)[O-]	105
+c1cc(ccc1)OCCN(c2c(nc(s2)-c3ccc4OCCNc4c3)C(OCC)=O)C	621
+c1ccccc1OCCN(c2sc(nc2C(OCC)=O)-c3ccc4OCCN(C(=O)Nc5nc6c(cccc6)s5)c4c3)C	2143
+c1cc(ccc1F)C(N2CCn3nc(COc4ccccc4)cc3C2)=O	115
+c1ccccc1OCc2oc(c(CCO)n2)C(OCC)=O	118
+c1cc(ccc1)Oc2cccc(c2CN)N	107
+c1cc(ccc1)Oc2cccc(c2NC(=O)C)CC(O)=O	3
+c1ccccc1Oc2c(c(NCCOC(=O)C)c(C)c(C)n2)N	13
+c1ccccc1Oc2nc(C)c(C)c(NCCOCCCc3cnccc3)c2N	13
+c1ccccc1Oc2nc(C)c(C)c(NCCOCCCc3sccn3)c2N	13
+c1ccccc1Oc2nc(C)c(c(c2N)NCCCCCCl)C	13
+c1cc(ccc1)Oc2c(cc(F)cc2)N(C(=O)C)Cc3c(ccc(OC)c3)OCCO	168
+c1cc(ccc1)Oc2c(cc(c(C(C)=O)c2)O)NS(=O)(=O)C	5
+c1ccccc1Oc2nc(c(C)c3c2nc(C)n3CCCCCSc4ccccc4)C	1107
+c1cc(ccc1)Oc2c3c(ccc2)c(OC)c(nc3C#N)C(NCC(O)=O)=O	4
+c1cc(ccc1)Oc2c3c(c(OC)c(nc3C#N)C(O)=O)ccc2	1
+c1ccccc1Oc2cccc3c2ccc(n3)C	2207
+c1c(OC)ccc2c1nccc2O	10827
+c1cc(ccc1)Oc2c3nc(n(CCO)c3c(C)c(n2)C)C	59
+c1ccccc1Oc2cnc(cc2)CO	813
+c1cc(ccc1)Oc2cc(Br)cnc2Nc3nc(cs3)CCC(=O)O	4
+c1cc(ccc1)Oc2cc(Br)cnc2Nc3scc(n3)CCc4oc(C)nn4	1037
+c1cc(ccc1)Oc2c(cc(c(c2)C)N)C3=CN(C)C(=O)C=C3	0
+c1ccccc1Oc2c3CCCC(=O)c3nc(C)c2	955
+c1ccccc1Oc2c(cnc(N3CCOCC3)c2)C(O)=O	6
+c1cc(ccc1NCCNc2nc(N)c(C(=O)NCc3sc(cc3)Oc4ccccc4)cc2)[N+]([O-])=O	60
+c1cc(ccc1-c2c3c(n(n2)C4CC5(C4)CCCNC5)ncnc3N)Oc6ccccc6	62
+c1cc(ccc1-c2nn(C3CCNCC3)c4c2c(N)ncn4)Oc5ccccc5	25
+C1CNCCC1c2cc3[nH]nc(N)c3c(n2)-c4ccc(cc4)Oc5ccccc5	62
+c1ccccc1Oc2cc(ccc2)Nc3cc(Cl)ncn3	73
+c1ccccc1Oc2cccc(Nc3ccccc3)c2CN	107
+c1cc(ccc1)Oc2cc(OCCOC)c(N)nc2	161
+c1cc(ccc1)Oc2sc(CN)cc2	10828
+c1cc(ccc1Cl)-c2nc(Cl)c(C#N)cc2	10829
+c1cc(ccc1OC)-c2cc(CN=[N+]=[N-])ccc2OC	925
+c1cc(ccc1Oc2c([N+](=O)[O-])cc(cc2)Cl)C(N=[N+]=[N-])C	841
+c1cc(ccc1COC(N2CCC(C(C2)F)CN)=O)C	10830
+[N-]=[N+]=NC1c2c(ccc(c2)F)CCC1	841
+[N-]=[N+]=NCc1ccc2c(ccc(n2)C)c1	925
+c1ccccc1P(c2ccccc2)(c3ccc4ccccc4c3-c5c6c(cccc6)ccc5N)=O	2622
+c1cc(ccc1C)C=2c3c(C(=O)N(N)N=2)cccc3	10831
+c1cc(ccc1)P(c2ccccc2)(c3cc(ccc3)O)=O	5
+c1ccccc1CN2CCC(CC2)N(CCCCOCCBr)C(C)C	10832
+c1cc(ccc1-c2c(nc(s2)NC(=O)C)-c3ccc(cc3)C=CC(=O)OCC)S(=O)(=O)C	4668
+c1cc(ccc1Cl)Cc2c3c(n(CCCC=CC(=O)OCC)c2Br)cccc3	1667
+c1cc(C=CC(OCC)=O)ncc1Br	10833
+c1ccccc1C(c2ccccc2)(C=CC(OCC)=O)CC#N	1667
+c1cc(ccc1C(c2ccc(cc2)F)=C(C=CC=O)c3n(nnn3)C)F	5071
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(n3nnnc3)C=CC=O	5071
+c1cc(ccc1)P(c2ccccc2)c3ccc(cc3)P(O)(O)=O	228
+c1cc(ccc1)P(c2ccccc2)c3ccc(cc3)P(OCC)(O)=O	228
+c1cc(ccc1Sc2ccccc2)C=O	825
+c1cc(ccc1Sc2ccccc2)C(CCC(O)=O)=O	815
+c1ccccc1CN(Cc2ccccc2)c3c4ncn(c4c5ccccc5n3)CCCCSc6ccccc6	1107
+c1ccccc1COC=2C(C=C(CNS(=O)(=O)c3cccc(C)c3)N(C=2C(O)=O)C)=O	10834
+O=S(=O)(C1CN(C(CC(=O)C)=S)C(C1)C(OC)=O)c2ccccc2	4940
+c1ccccc1S(=O)(=O)CC(O)Cn2cncc2	100
+c1cc(ccc1)S(=O)(=O)CC=CC=CC(O)=O	127
+c1ccccc1S(=O)(=O)CCCC(=O)C	1965
+c1cc(ccc1)S(=O)(=O)CCCc2n(CCCC)nc(C(=O)O)c2	6
+c1cc(ccc1)S(=O)(=O)CCCc2cc(C#N)nn2CCCC	331
+c1ccccc1S(=O)(=O)Cc2cc(N3CCN(CC3)Cc4ccccc4)ccc2[N+]([O-])=O	1177
+c1ccccc1S(=O)(=O)Cc2nc(-c3ccc(cc3)NC(Oc4ccccc4)=O)nc(N5CCOCC5C)c2	90
+c1cc(ccc1)S(=O)(=O)N2c3ccc(cc3CC2)CC	165
+c1cc(ccc1)S(=O)(=O)N2CCc3cc(ccc23)C=O	39
+c1cc(ccc1)S(=O)(=O)N2c3ccc(COC)cc3CC2	49
+c1cc(ccc1)S(=O)(=O)N2c3c(cc(C=CC(=O)OC)cc3)CC2	530
+c1cc(ccc1)S(=O)(=O)N2c3ccc(cc3CC2)C=CC(O)=O	127
+c1cc(ccc1)S(=O)(=O)N2CCc3cc(CO)ccc23	88
+c1cc(ccc1)S(=O)(=O)NCC=2OC(C=O)=C(OCc3ccccc3)C(=O)C=2	3124
+c1cc(ccc1)S(=O)(=O)Nc2ccsc2C(O)=O	1
+O=S(=O)(c1c(N)[nH]c2ccc(Cl)cc12)c3ccccc3	2574
+c1ccccc1COC(N(C)CC(NCc2c3c(ccc2)cc(cc3)S(=O)(=O)c4ccccc4)=O)=O	9
+c1cc(ccc1)S(=O)(=O)c2ccc3c(CN)cccc3c2	107
+c1cc(ccc1)S(=O)(=O)n2ccc(C=O)c2C	200
+c1cc(ccc1)S(=O)(=O)n2c3c(cc(F)cn3)cc2C(=O)CC(C)C	955
+CC(C)C=C(c1n(c2c(cc(cn2)F)c1)S(=O)(=O)c3ccccc3)OS(=O)(=O)c4ccc(cc4)C	10835
+O(C)c1c(ccc(-c2c[nH]c3c2cccc3)c1)OC	741
+c1cc(ccc1)S(=O)(=O)n2cc(C=O)c(c2Br)C(C)C	5072
+c1(cc(cc(Cl)n1)-c2c3c(ncc(OC)c3)[nH]c2)Cl	1017
+O=S(=O)(N)c1c(Cl)ccc(C(=O)c2cc[nH]c2)c1	4159
+c1cc(ccc1)S(=O)(=O)n2cc(CCN)cc2	157
+c1cc(ccc1)S(=O)(=O)n2c(C)c(cc2)CO	351
+c1cc(ccc1-c2c3c(ncc2)n(cc3)S(=O)(=O)c4ccccc4)S(=O)(=O)N5CCCC5	2070
+c12cnc3[nH]ccc3c1n(nn2)C4CCC(NC(OC)=O)C4	1017
+c1cc(ccc1)S(=O)c2c3ccccc3n(Cc4ccccc4)c2	190
+c1ccccc1S(=O)(=NC(c2cc(C#Cc3cc(NC(c4c(cco4)C)=O)ccc3)cnc2)=O)CC(=O)OCC	3144
+c1cc(ccc1)S(CC2N(C(=O)C2)C(=O)NCc3ccccc3)=O	10836
+c1cc(ccc1Cl)CCC(=O)C2(CC2)Sc3ccccc3	1847
+c1ccccc1Sc2ccc(Br)cc2CO	98
+c1cc(ccc1-c2ccc(-c3sc(cc3)C=CC)c(c2)F)CC	10837
+CC(C)c1c(C(=O)OC)c(c(CC)n1Cc2ccccc2)C=CCC	10838
+c1cc(ccc1-c2cc(F)c(cc2)C=3[Se]C(C=CCCC)=CC=3)CC	4928
+c1cc(ccc1C=Cc2ccc(cc2)Cl)Br	3158
+c1cc(ccc1C(O)=O)C=Cc2ccc(cc2)OCCCCCCO	3158
+n1(c(C=Cc2nn3c(n2)nc(C)cc3C)nc(Br)n1)C	10839
+C1CC(CCC1Oc2c(ccc(Br)c2)Cl)O	701
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC#CCCO	168
+CC(C)(C)OC(N1CC2CC2CC1CO)=O	701
+C1C(CC1OC2OCCCC2)CCO	701
+C1OC(OCCCCC#CCCCCCCCCCCO)CCC1	701
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCCC=O	24
+c1cc(ccc1OCc2ccccn2)-c3nc(c(o3)C)CCO	5073
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(ccc(c3Cl)-n4c(CN)ccc4)Cl	421
+C1(CN(CC(C)O1)c2c(cc(C(=O)c3ccccc3)c(F)c2F)CO)C	701
+CC1CN(CC(C)O1)c2c(CO)cc3c(noc3c2F)C(=O)OCC	10840
+C1CC1C(CC(=O)OCC)c2cccc(CO)c2	701
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3nc(oc3)-c4ccc(cc4)F	4235
+CC(C)(C)Cc1c(-c2cc(OC)ccc2F)ccc(CO)n1	10841
+c1cc(ccc1F)-c2occ(CO)n2	701
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCc3cc(nc(n3)S(=O)(=O)C)Nc4ccc(cc4)F	328
+c1cc(ccc1COC(=O)N2CCC(NC(c3nc(sc3)N4CC(C4)O)=O)C2)[N+]([O-])=O	5074
+CC(C)(CN1c2c(C(OC(CC(OCC)=O)C1=O)c3cccc4ccccc34)cc(cc2)Cl)CO	701
+c1cc(ccc1)[Si](c2ccccc2)(OCC(CO)C)C(C)(C)C	95
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC(COc3ccc(cc3)Br)C	20
+C1CCCCC1(CC)CCO	5074
+c1cc(ccc1CN2C=C(CCO)N(CCC)C2=O)C	701
+c1cc(ccc1)[Si](c2ccccc2)(OCCC=3C(=O)N(C=CC=3)c4c(cc(N)cc4)OC)C(C)(C)C	0
+c1cc(ccc1)[Si](c2ccccc2)(OCCOC3CCC(CC3)CO)C(C)(C)C	95
+c1cc(ccc1)[Si](c2ccccc2)(OCCOC3CCC(CC3)C=O)C(C)(C)C	24
+c1cc(ccc1)[Si](c2ccccc2)(OCc3c(c(F)c(F)c(C(c4ccccc4)O)c3)N5CC(C)OC(C)C5)C(C)(C)C	1641
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(c(F)c(c(C(=O)c4ccccc4)c3)F)N5CC(C)OC(C5)C	335
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3cc4c(c(F)c3N5CC(C)OC(C)C5)onc4C(=O)OCC	10842
+c1cc(ccc1-c2nc(c(o2)C)CCl)C(OC)=O	10843
+c1cc(ccc1-c2[nH]c3ncc(c(c3n2)I)Cl)C(O)=O	1
+c1cc(ccc1)N2C=C(C(=O)c3ccc(cc23)Cl)CNC(c4ccc(cc4)-c5[nH]cnn5)=O	2460
+c1cc(ccc1C)-c2c(c(C)nc(CC(C)C)c2CN)C(=O)OC	388
+c1cc(ccc1OCCN)-c2c(C#N)c3c(n2CC)cc(cc3)OC	18
+c1cc(ccc1F)-c2c(C=O)n(Cc3ccc(cc3)-c4c(C#N)cccc4)c(CCCC)n2	371
+c1cc(ccc1-c2ccccc2C#N)CC=3C(N(Cc4ccccc4)C(=CC=3O)C)=O	10844
+c1cc(ccc1-c2c(C#N)cccc2)CN3C(=O)C=C(N=C3CCC)CC	10845
+c1cc(ccc1-c2c(C#N)cccc2)CN3c4sc(CC)cc4C(=O)NC3=O	4805
+c1cc(ccc1OC)C(=O)CN2C(=O)c3c(N(Cc4ccc(cc4)-c5c(C#N)cccc5)C2=O)sc(c3)CC	1833
+c1cc(ccc1-c2onc(c2C(O)C(F)(F)C=Cc3ccc(cc3)F)C)Br	1046
+c1cc(ccc1-c2c(C(NC)=O)c3c(cc(N(C)S(=O)(=O)C)c(C4CC(C(=O)O)N(C)C4)c3)o2)F	4
+c1cc(ccc1-c2c(C(NC)=O)c3c(cc(N(C)S(=O)(=O)C)c(C4CC(c5oc6c(n5)c(ccc6)F)N(C4)C)c3)o2)F	1692
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+c1cc(ccc1-c2c(ncc(c2CC)Br)N)O	5
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+c1cc(ccc1CC)-c2csc(c2C(=O)O)N3C(=O)c4c(cccc4)C3=O	6
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+c1ccccc1-c2cc3c4n(cnn4)ccc3nc2-c5ccc(cc5)C=O	494
+c1ccccc1-c2cc3c4nnc(CO)n4ccc3nc2-c5ccc(cc5)C=O	494
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+CC(C)n1c(c(c(-c2ccc(cc2)F)c1C=O)-c3ccc(cc3)F)C(O)=O	6
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+c1cc(ccc1)COCc2nc(N)nc(c2-c3ccc(cc3)OCc4ccc(cc4)Cl)N	22
+c1cc(ccc1OC)-c2ccc(O)nc2-c3ccc(cc3)OC	1220
+c1cc(ccc1-c2sc(nc2-c3ccc(cc3)CCCO)NC(=O)C)S(=O)(=O)C	10849
+c1cc(ccc1OC)-c2c(nc(N)s2)C	1176
+c1cc(ccc1-c2nc3nccn3cc2-c4ccc(cc4)F)C=O	198
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+c1cc(ccc1-c2c(oc3ncnc(OC4CCCN(CCCC(=O)O)C4)c23)-c5ccccc5F)OC	4
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+c1ccccc1-c2n(c3cccc(-c4ccc(cc4)O)c3c2C)Cc5ccccc5	5
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+c1cc(ccc1CC2SC(=O)NC2=O)-c3cc(CN(C(c4ccccc4)=O)C)ccc3	534
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+c1cc(ccc1O)-c2noc(C(=O)OCC)c2	5
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+c1cc(ccc1-c2ccc(cc2)-n3cccn3)Br	901
+c1cc(ccc1N2CCC3CNCC23)-c4ccc(cc4)C#N	62
+c1cc(ccc1OCCCC(=O)O)-c2ccc(cc2)C#N	3
+c1cc(ccc1F)OC(C(OCC)=O)Cc2ccc(cc2)OCCON=C(c3ccc(cc3)-c4ccc(cc4)F)C	262
+c1cc(ccc1C2(CC2)C(O)=O)-c3ccc(cc3)-c4c(n(nc4)C)NC(CC(C)c5ccccc5)=O	4
+c1cc(ccc1-c2ccc(cc2)C3(CC3)C(O)=O)-c4onc(C)c4Nc5nc(-c6ccccc6C)ccc5	3
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+c1cc(ccc1N)-c2ccc(cc2)CCCCCCCC	0
+c1cc(ccc1-c2ccc(cc2)Cl)C(O)C	74
+c1cc(ccc1NC(c2c(c3c(cccc3OC)o2)C)=O)-c4ccc(cc4)S(=O)(=O)NC(C(C)C)C(=O)OC	768
+c1cc(ccc1C=O)C=CC(Nc2ccc(cc2)-c3ccc(cc3)Cl)=O	1054
+O=C(O)C(C(=O)O)CC(=O)c1ccc(cc1)-c2ccc(cc2)NC(CCCC)=O	3
+c1cc(ccc1C(O)=O)-c2ccc(cc2)OCCCCl	1
+O=S(=O)(C)C(C(=O)NO)(CCc1ccc(cc1)-c2ccc(cc2)[N+](=O)[O-])C	792
+c1cc(ccc1O)-c2ccc(cc2C)C#N	5
+c1cc(ccc1C=CCO)C#Cc2ncc(cc2)-c3ccc(cc3)Cl	129
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+c1cc(ccc1-c2cc3C(=O)N(Cc3cc2)C(C(C)C)C(O)=O)NC(c4c(F)ccc(c4F)C)=O	4
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+c1cccc2c3c(cccc3)n(c12)-c4ccc(cc4)-c5cc(Oc6cc(Oc7ccccc7)ccc6)ccc5	304
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+c1cc(ccc1-c2ccccc2)Cn3cc4C(N(C)C(Nc4n3)=O)=O	10854
+c1cc(ccc1NCc2cc(C(=O)OC)oc2C)-c3ccccc3	10855
+c1cc(ccc1-c2ccccc2C3CCCNC3)Cn4c(ccc4)CC	1446
+c1cc(ccc1C(=O)N2C(C(O)=O)CC(=NOC)C2)-c3ccccc3C	4
+Cc1ccccc1-c2ccc(O)c(c2)CC=C	423
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+c1c2c(nc(-c3cc4c(c5c([nH]4)cccc5)cc3)o2)ccc1	1223
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+c1cc(ccc1-c2cn3c4c(sc3n2)cc(cc4)OCCN5CCOCC5)N	0
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+c1cc(ccc1-c2cccnc2)-c3nc4cccc(C(=O)OC)c4o3	3069
+C1CC(CCN1)c2ccc(cc2)-c3cnn(c3)C	191
+c1cc(ccc1-c2csc(N3C(OCC3COC)=O)n2)Br	21
+c1cc(ccc1-c2nc(N3C(CO)COC3=O)sc2)Br	88
+c1cc(ccc1-c2csc(n2)N)CCN	524
+c1cc(ccc1)-c2csc3c2ccc(c3)OC	5014
+c1cc(ccc1-c2n(c3c(c2C#N)ccc(c3)OCCn4cncc4)CC)NC(=O)C5CC5	871
+c1cc(ccc1-c2c(C#N)c3ccc(cc3n2CC)O)NC(=O)C4CC4	10857
+c1cc(ccc1-c2nc(cn2-c3cccc(OCC)c3)C(O)=O)C	6
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+c1cc(ccc1-c2n(nc(C#N)c2C)-c3ccc(Cl)cc3Cl)Cl	331
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)-c3nnnn3C	90
+c1cc(ccc1-c2c3CCCCCc3nc4ccnn24)O	16
+c1cc(ccc1C#N)-c2n3c(nc2)cnc(-c4ccc(cc4)C(OCC)=O)c3	356
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+c1cc(ccc1F)-c2nc(nn2CC(=O)O)-c3ccc(cc3)F	4
+c1cc(ccc1-c2nc(co2)C(O)=O)NC(=O)c3[nH]c(c(CC)n3)Cl	1
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+c1cc(ccc1-c2c3n(ccnc3N)c(n2)C4CCCN4)C(=O)Nc5sc6CCCCc6n5	62
+C1CC1c2nnc3C(c4nc(-c5ccc(cc5)C(=O)O)c6c(nccn46)NCc7c(OC)cc(cc7)OC)CCCn23	1
+CC(C)N1C(C=CC(=C1)c2ncc(nc2-c3ccc(cc3)OC)N)=O	4343
+c1cc(ccc1-c2c3c(nc(n2)N)-c4c(cccc4O)C3=O)F	5
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+c1cc(ccc1-c2c(C#N)c(nc(OCC)c2C#N)SCc3coc(-c4ccc(cc4)Cl)n3)OCCO	5078
+c1cc(ccc1N)-c2scc(n2)C(=O)OCC	0
+c1cc(ccc1-c2nc(n3ccnc(c23)NCc4c(OC)cc(cc4)OC)C5CCCNC5=S)C(=O)OC	199
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+c1cc(ccc1O)-c2oc3cc(C4=NNC(=O)CC4CC)ccc3n2	16
+c1ccccc1-c2nc3c(cccc3)c(c2)Cl	1191
+C1CCCCC1C(C(=O)O)n2c(nc3ccccc23)-c4ccc(cc4)Cl	3
+c1cc(ccc1C)-c2nc3CCCNc3nc2-c4ccc(cc4)C	5079
+c1cc(ccc1C(C)=O)-c2nc3ccc(cn3c2)I	155
+c1cc(ccc1NC(=O)C)-c2nc3c(c(N4CC5CCC(C4)O5)n2)cn[nH]3	1002
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+c1cc(ccc1F)-c2ccc(CN)cn2	3143
+c1cc(ccc1-c2c(cccn2)CC)C(OC)=O	1661
+c1cc(ccc1-c2ncccc2C=C)C(OC)=O	5080
+n1cccnc1CN2CC(C2)n3c(-c4ccnc(n4)N)c(nc3)-c5ccc(cc5)F	566
+c1cc(ccc1-c2nn(CC)cc2-c3c4cc[nH]c4ncc3)N	0
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+c1cnccc1-c2c(nn3CCCNc23)-c4ccc(cc4)F	10859
+c1cc(ccc1F)-c2c(C(O)c3nc(C(=O)OC)ccc3)c4ccc(cn4n2)OC	10860
+c1cc(ccc1CC(Nc2ccc(cc2)-c3ccc4n(nc(n4)N)n3)=O)F	33
+c1cc(ccc1-c2nnc(-c3c(N)cccc3)o2)C(=O)O	6
+c1cc(ccc1CO)-c2nnc(s2)-c3ccc(cc3)N4CCC(CC4)(CCCC)OC	98
+c1cc(ccc1C2=Nn3c(C(N2)=O)c(C)nc3C)[N+](=O)[O-]	10861
+c1cc(ccc1-c2nnc(N3CCCC3c4cc(on4)-c5cccc(Cl)c5)n2C)C(O)=O	1
+c1cc(ccc1-c2nnc(O)cc2)CCO	59
+c1cc(ccc1-c2nnc(Cc3cc4sc(cc4cc3)C(=O)Nc5ccccc5N)o2)OC	2810
+c1cc(ccc1-c2nnc(o2)Cc3cc4c(cc(s4)C(O)=O)cc3)OC	6
+c1cc(ccc1-c2c(n(C)nn2)C(O)=O)C3CCC(CC3)CC(=O)OCC	426
+c1cc(ccc1F)-c2cc(on2)C(=O)C	3153
+n1cccnc1N2C(NC(C(Nc3ccc(cc3)-c4noc(C)n4)c5cc(c(cc5)OCC)OC)=N2)=O	10862
+c1cc(ccc1CN(C2C(NCCCC2)=O)S(=O)(=O)c3ccc(cc3)Cl)-c4nc(CO)on4	59
+c1cc(ccc1-c2c(C#N)c(sn2)NC(=O)Oc3ccccc3)[N+](=O)[O-]	10863
+C1CN(CCN1CC(c2ccc(cc2)OC)=O)c3nc(-c4ccc(cc4)Cl)ns3	676
+c1cc(ccc1-c2nnc(-c3c(N)cccc3)o2)C(OCC)=O	0
+c1cc(ccc1OCCc2cc3C(=O)N(C)c4cccnc4N(c3nc2)CC)-c5oc(c(C(=O)O)c5)C	6
+c1cc(ccc1N)-c2cc(C(OCC)=O)c(o2)C	0
+c1cc(ccc1-c2oc(nc2)-c3cccc(-c4oc(nn4)Cc5ccc(cc5)C(O)=O)c3)OC	1
+c1cc(ccc1-c2nnc(o2)Nc3cc(ccc3)Cl)Oc4nc(N)nc(c4)N	185
+c1cc(ccc1-c2oc3c(C(=O)N)cc(cc3c2)F)CNC4CC4	10864
+c1cc(ccc1-c2c(C(O)=O)c3c(o2)nc(Cl)c(c3)Br)F	1
+c1cc(ccc1CNC)-c2oc3c(cc(F)cc3C(=O)OC)c2	2217
+c1cc(ccc1-c2oc3c(cc(F)cc3C(=O)OC)c2)CNC4CC4	10865
+c1cc(ccc1-c2oc3c(cc(c(N(c4ccc(N)c(c4)Cl)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	0
+c1cc(ccc1-c2c(C(=O)NC)c3cc(Br)c(N(Cc4ccc(cc4)Cl)S(=O)(=O)C)cc3o2)F	10866
+c1cc(ccc1-c2oc3c(cc(c(N(c4cc(CC(O)=O)c(cc4)[N+]([O-])=O)S(=O)(=O)C)c3)C5CC5)c2C(NC)=O)F	4
+c1cc(ccc1-c2oc3c(cc(c(c3)N(c4cc(c(N)cc4)CC(=O)OC)S(=O)(=O)C)C5CC5)c2C(NC)=O)F	0
+c1cc(ccc1-c2oc3c(cc(c(N(S(=O)(=O)C)c4cc(c(cc4)N)CCO)c3)C5CC5)c2C(NC)=O)F	95
+c1cc(ccc1N)-c2oc3c(cccc3c2)C(=O)OC	0
+FC(F)c1c(ccc(N(c2c(cc3c(c2)oc(c3C(NC)=O)-c4ccc(cc4)F)C5CC5)S(=O)(=O)C)c1)N	0
+c1cc(ccc1-c2oc3c(cc(c(c3)N(c4cc(CC(=O)OC)c([N+](=O)[O-])cc4)S(=O)(=O)C)C5CC5)c2C(NC)=O)F	1540
+c1cc(ccc1-c2c(c3cc(O)c(cc3o2)CC(=O)OC)C(=O)NC)F	1206
+c1cc(ccc1-c2oc3ccc(O)cc3n2)C#N	818
+c1cc(ccc1F)-c2cc(C(O)=O)no2	6
+c1cc(ccc1-c2sc(cc2)-c3ccc(O)cc3F)C(O)=O	5
+C1CC1(c2ccc(cc2)-c3ccc(cc3)-c4sc(Cl)cc4NC(=O)OC(C)c5c(cc(cc5)F)F)C(O)=O	3
+C1CC1(c2ccc(cc2)-c3ccc(cc3)-c4sc(F)cc4NC(OC(c5ccccc5C)C)=O)C(O)=O	3
+c1cc(ccc1-c2sc(nc2-c3ccc(cc3)CCCN)NC(=O)C)S(=O)(=O)C	45
+c1cc(ccc1-c2c(-c3ccc(cc3)C=O)nc(s2)NC(=O)C)S(=O)(=O)C	39
+c1cc(ccc1-c2sc(nc2-c3ccc(cc3)CO)NC(=O)C)S(=O)(=O)C	59
+c1cc(ccc1-n2c(-c3ccc(cc3)C)cc(C4(CCC(CC4)=O)O)n2)Cl	97
+c1cc(ccc1-n2nc(C(O)=O)c(C(C)C)c2C=O)F	1
+c1cc(ccc1-n2c(NC3=NCCN3)cc(C)n2)F	10867
+c1cc(ccc1-n2ncc(c2C)C(=O)NC(CCC)c3cc(cnc3)Br)Cl	4314
+c1cc(ccc1Cl)-n2c(C(CO)C3CCCCC3)c4CCCc4n2	44
+CC(C)Cc1n(nc(c1)C=O)-c2ccc(cc2)F	1406
+c1cc(ccc1C(=O)OCC)-n2c(cc(C=C)c2)C#N	5080
+c1cc(ccc1-n2c(cc(n2)CC)CC)O	5
+c1cc(ccc1Cl)-n2c(C)cc3c(c(OC)cc4ncnc2c34)OC	10868
+c1cc(ccc1-n2nccc2NC(=O)CSc3nnnn3-c4c(C)ccc(C)c4)OC	142
+c1cc(ccc1-n2c(COCc3ccc(cc3)Cl)nc(-c4c(noc4C)-c5ccccc5)c2)[N+]([O-])=O	2130
+c1cc(ccc1O)-n2c(nc3cnccc23)-c4nonc4N	5
+c1cc(ccc1-n2c(ncc2C(C)(C)c3cc(Cl)c(cc3)Cl)CO)F	10869
+c1cc(ccc1CCN)-n2c3c(c(C)cc(C)n3)nc2CC	18
+c1cc(ccc1CCO)-n2c3c(c(C)cc(C)n3)nc2CC	10870
+c1cc(ccc1-n2ccc3ccccc23)OCc4ccc(cc4)C#N	22
+c1cc(ccc1C(=O)C(=O)O)-n2c3c(nc2)cccn3	2249
+c1cc(ccc1-n2c3c(nc2)c(ccc3)N)C#N	13
+c1cc(ccc1O)-n2c(cc3ccccc23)CCOC	16
+c1cc(ccc1C)-n2cc(cn2)N	209
+c1cc(ccc1-n2cc(nc2)CNC(c3sc(cc3)Cl)=O)N4C=CC=C(O)C4=O	2285
+c1cc(ccc1-n2nc(C(=O)O)cc2)F	6
+c1cc(ccc1-n2c3c(cc2)cccc3)O	5
+c1cc(ccc1-n2cccn2)Cc3c(OC(F)F)nc4c(ccc(c4c3C)OCC(O)=O)Cl	4
+c1cc(ccc1-n2cc(nc2)C(O)=O)S(=O)(=O)C	1
+c1cc(ccc1-n2cnc(CN)c2)N3C=CC=CC3=O	18
+c1cc(ccc1-n2ccnc2)NCC3CN(c4ccc(c(Cl)c4)Cl)CCN3CC	15
+c1ccccc1CNC(=O)c2c(C(C)C)c(C=O)n(-c3ccc(cc3)F)n2	81
+c1cc(ccc1-n2c3nc(C)cc(C(O)=O)c3c(n2)C)OC	6
+c1cc(ccc1-n2c(NC3=NCCN3C(C)=O)cc(C)n2)F	10871
+c1cc(ccc1N)-n2c(CN(C)C)c3c(N(C(=O)N(c4cccc(c4F)OC)C3=O)Cc5c(F)cccc5F)n2	0
+c1cc(ccc1-n2cc(cn2)C(O)=O)Oc3c(Cl)ccc(c3)F	6
+c1cc(ccc1)C(C(C)N)Oc2ccc3c(cnn3-c4ccc(cc4)C(OC)=O)c2	669
+c1cc(ccc1Br)-n2c(c(C)nn2)C(O)=O	1
+c1cc(ccc1-n2nnc(C(=O)NC3CC3)c2CCCN)C(=O)NCC	45
+c1cc(ccc1-c2c3n(ccc(n3)NCCOC)nc2)-c4[nH]nnn4	2673
+n1cccnc1-c2ccc(cc2)C#CCO	2294
+c1cc(ccc1N2C=CC3=C(C(c4ccc(cc4)Cl)=NCc5onc(C)c35)C2=O)C#N	10872
+c1cc(ccc1-c2ccc(cc2)C#N)N3C4C(CN(C)C4)CC3	11
+c1cc(ccc1-c2n3c(cnc(c3)Br)nc2)C#N	4772
+c1cc(ccc1-c2c3CCCC(N)c3cnc2)C#N	89
+c1cc(ccc1-c2nc3n(cc(COc4ccc(cc4)C(CC(=O)OCC)C#CC)cc3)n2)C(C)C	4983
+c1cc(ccc1C(C)C)-c2ccncc2	835
+c1cc(ccc1C(OC)=O)-c2ccc(nc2)C#N	89
+c1cc(ccc1OC)-c2ccc(c(F)c2)-c3ccc(cc3)CCC	11
+C1CCCC1(C(=O)O)c2ccc(cc2)-c3ccc(cc3)CCN4C(CCC4)C	667
+c1cc(ccc1CO)-c2nccnc2	696
+c1cc(ccc1C(=O)Nc2ccc(F)c(-c3ccc(cc3)Cl)c2)Oc4c(cc5c(OCCC5C(OCC)=O)c4)Cl	11
+c1cc(ccc1Cc2c(-c3ccc(cc3)Cl)sc4c2C(N(C(=O)N4C)CCC(=O)OC)=O)Cl	10873
+c1cc(ccc1Cl)-c2cc(c3nccn3c2)C	89
+c1cc(ccc1-c2cncc3c2cc(C(=O)O)cc3)Cl	89
+c1cc(ccc1NC(C(c2ccc(cc2)F)C)=O)B(O)O	33
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(c(-c5ccccn5)n4)-c6cc(ncc6)-c7ccc(cc7)N	119
+c1cc(ccc1N(C)C)-c2c(nc(nc2)NCc3ccncc3)NC4CCN(CC4)Cc5ccccc5	537
+c1cc(ccc1N(C)C)-c2ccnc(Cl)n2	198
+c1cc(ccc1-c2cc3c(OC(CC34C(N(C)C(N)=N4)=O)c5ccccc5)cc2)OCc6ccccc6	11
+c1cc(ccc1-c2cnc(nc2)C3=CCOCC3)S(=O)(=O)Nc4c(F)cc(c(F)c4)C(OC)=O	537
+n1cc(cnc1COC)-c2ccc(cc2)S(=O)(=O)Nc3c(F)cc(c(F)c3)C(OC)=O	537
+OB(O)c1ccc(cc1)-c2c3ccccc3c4c(c2)cccc4	579
+c1cc(ccc1Br)-c2c(n(C)nn2)C(O)=O	6
+c1cc(ccc1-c2c(C(O)=O)c(no2)C)Br	1
+c1cc(ccc1-c2nc(-c3cc(c(cc3)F)F)oc2C4C(CCCC4)C(O)=O)Br	4
+c1cc(ccc1Br)-c2onc(C)c2CCO	44
+c1ccccc1COC(c2c(-c3ccc(cc3)Br)nnn2C)=O	470
+c1cc(ccc1-c2nn3c(Cc4c5c(cccc5)[nH]c4)nnc3nc2)Br	10874
+c1cc(ccc1-c2nc(C)c(C)n2CC3CN(C(C4CC4)=O)CC3)-c5ccc(cc5)F	11
+c1cc(ccc1OCCc2c(C)oc(n2)-c3ccc(cc3)Br)OC(C)(C)C(OCC)=O	267
+c1cc(ccc1Br)-c2nc(c(C)o2)CCOCc3ccccc3	149
+c1cc(ccc1Br)-c2nc(c(o2)C)CCO	21
+c1cc(ccc1Br)-c2c(c(C)no2)CC(OCc3ccccc3)=O	283
+c1cc(ccc1-c2ccc(s2)C(=O)CCc3c(c(c(O)cc3)Cl)Cl)Br	2301
+c1cc(ccc1-n2c(c(cc2Cl)N)C(OCC)=O)Br	10875
+c1cc(ccc1-n2c(cc3c2c(O)c(C#N)c(n3)O)Cl)Br	10876
+c1cc(ccc1F)-c2ccc(cc2)Br	134
+n1cc(cnc1N)-c2ccc(cc2)Br	537
+c1cc(ccc1Br)-c2ccccn2	119
+C1CN2CCC1C(C2)C(C#Cc3ccc(cc3)C(OC)=O)(c4ccccc4)O	197
+c1cc(ccc1Br)C(CO)CO	5077
+c1cc(ccc1Br)-c2c(C3C(C(=O)OC)CCCC3)oc(n2)-c4cc(c(cc4)F)F	5081
+c1cc(ccc1Br)C(C)CCO	21
+CC(C)C(CCNC(c1ccc(cc1)Br)C)=O	97
+c1cc(ccc1Sc2c([N+](=O)[O-])cc(cc2)OC(C)c3ccc(cc3)Br)O	825
+c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br	15
+C(C)C(CC)(c1ccc(cc1)Br)c2cc(c(O)cc2)C	1848
+c1ccccc1COC(NC2CCC(N3CCCC(C(NCC(c4ccc(cc4)Br)=O)=O)N3C2=O)=O)=O	612
+c1cc(ccc1Br)C2(COC2)COCc3ccccc3	10877
+c1cc(ccc1C)S(=O)(=O)OCC(COC(=O)C)c2ccc(cc2)Br	36
+c1cc(ccc1C(c2ccc(cc2)Cl)CC(OCC)=O)Br	10878
+c1cc(ccc1Br)C2(CCCC2)CO	237
+c1cc(ccc1)CN2CCC(=CC2)c3ccc(cc3)Br	252
+c1cc(ccc1Br)C2CCN(CC2C)C(OC)=O	564
+c1cc(ccc1C2C(C2)N)Br	157
+c1cc(ccc1Br)C2CC(CC2)(N)C(O)=O	10879
+c1cc(ccc1Br)C2C(CNCC2)C	1574
+c1cc(ccc1Nc2ncc3c(ccc(c3)-c4ccncc4)n2)C=O	490
+c1cc(ccc1Br)CN(n2cnnc2)c3ccc(cc3)[N+]([O-])=O	10880
+c1cc(ccc1Br)Cn2ccnc2	371
+c1cc(ccc1CC(CO)C)Br	21
+c1cc(ccc1Br)CC(C(O)=O)C	3
+c1cc(ccc1Br)CCCO	21
+c1cc(ccc1CCc2ccccc2CO)Br	217
+c1cc(ccc1CCc2c(cccc2)CCN)Br	51
+c1cc(ccc1Br)CN(n2cnnc2)c3ccc(cc3)N	0
+CC(C)CC(C(=O)O)NCc1ccc(cc1)Br	4
+c1cc(ccc1Br)COCC(C)CO	95
+c1cc(ccc1C2CCC(c3ccc(cc3)[N+]([O-])=O)N2c4ccc(cc4)Br)[N+]([O-])=O	10881
+c1cc(ccc1Br)N2C(=O)NN=C2CC3CN(CC3)C(=O)C4CC4	2585
+c1cc(ccc1Br)NC(c2cc(N)c(NCCN(C)C)cc2)=O	0
+c1cc(ccc1C(Oc2ccc(cc2)Br)CCCCCC)C(=O)OC	20
+c1cc(ccc1Cc2cc(ccc2O)Br)F	4669
+c1cc(ccc1C=2S(=O)c3cc(ccc3C=2Oc4ccc(cc4)Br)OC)OC	10882
+c1cc(ccc1Br)OCc2cnc(OC)cc2	20
+c1cc(ccc1Br)OC(C)CN	15
+c1c(cc(CC(=C)C)c(c1)O)Br	1625
+c1cc(ccc1Br)OCc2csc3c(cnc(N)c23)C(NCCCOCC(CO)O)=O	265
+c1cc(ccc1-c2cc3OCOc3cc2-c4ccc(cc4)F)S(=O)(=O)N	11
+c1cc(ccc1Nc2nn(-c3ccccc3)cc2C(N)=O)S(=O)(=O)N4CCOCC4	781
+c1cc(ccc1-c2ccc(cc2)C)S(=O)(=O)Nc3cc(no3)C	11
+c1cc(ccc1S(=O)(=O)n2c(CO)cc3ccccc23)Br	194
+c1cnccc1-n2c(ccn2)-c3ccc(cc3)C#Cc4ccc5c(n4)cccc5	10883
+c1cc(ccc1C(C)C(=O)NCC)C#Cc2cnc(nc2)Cl	10884
+c1cc(ccc1C#Cc2ccc(cc2)OC)C(C(NCC)=O)C	129
+c1cc(ccn1)C#Cc2ccc(cc2)OC	4809
+c1cc(ccc1C#Cc2ccc(cc2)OCCCCCC)OCCCCCC	129
+c1cc(ccc1Cl)-c2cnc(C#Cc3ccc(cc3)OCCO)cn2	5031
+c1cc(ccc1C#C)CCCCC	2110
+CC1(C)CCC(C)(C)c2ccc(cc12)CC#Cc3ccc(cc3)C(=O)O	10885
+c1cc(ccc1CCCCCCCOC)C2CCC(C2)(N)C(=O)OC	213
+C1CCCCCN1CCCOc2ccc(cc2)CCCCO	213
+c1cc(ccc1CCCO)C(OC)=O	213
+c1cc(ccc1C#CCOS(=O)(=O)c2ccc(cc2)C)Cl	2390
+c1cc(ccc1C#Cc2cc(F)ccc2)C(=O)O	6
+c1cc(ccc1C(=O)O)C#Cc2cc(c3OC(C)(C)CC(C)(C)c3c2)C4CC4	6
+c1cc(ccc1C#Cc2cc(CO)c3c(c2)C(C)(C)CC(C)(C)O3)CC(=O)OC	41
+c1cc(ccc1C#Cc2ccc(cc2)CN3CCOCCC3)C(N(C)C(C)(C(=O)NO)C(NC)=O)=O	792
+c1cc(ccc1CCCC)C#Cc2ccc(cc2)C(=O)O	1
+c1cc(ccc1C#Cc2ccc(cc2)CN3CCOCCC3)C(=O)O	6
+c1cc(ccc1-c2ccc3C4C(N(c5ccccn5)N=C4CCc3c2)=O)C#N	2472
+c1cc(ccc1C#N)-c2cnc3cnc(-c4ccc(cc4)C(=O)O)cn23	6
+c1cc(ccc1C#N)-n2nc(c(CO)c2C)C	10886
+c1cc(ccc1C#N)-n2c(C)c(c(n2)C)COc3ccccc3C	20
+c1cc(ccc1C#Cc2cc(F)ccc2)C#N	455
+C1CC(CCC1)Cn2c3c(nc2-c4c(cc(cc4)Cl)CCc5ccc(cc5)C#N)cccc3	1702
+c1cc(ccc1C(NCc2ccc(cc2)N3C(=O)OC(C(O)=O)C3)=O)C#N	93
+c1cc(ccc1C#N)-c2nc(no2)-c3ccc(cc3)-c4ccc(cc4)OCCCC(=O)O	2304
+c1cc(ccc1C#N)-c2nnc(C(Nc3c4c(cccc4)c(C#N)cc3)C(C)O)o2	877
+c1cc(ccc1C2OC2)C#N	3146
+c1cc(ccc1C#N)-c2nc3ccc(cn3c2)I	440
+c1cc(ccc1C(n2cncc2)CCN)C#N	18
+c1cc(ccc1Cc2ccc(cc2)OC)C#N	452
+c1cc(ccc1C#N)C2C(=O)N(c3ncc(C(=O)NCCCn4cccn4)cc3)N=C2	56
+c1cc(ccc1C#N)-c2c(cc(O)nn2)C	10887
+c1cc(ccc1CCC(OCC)=O)C#N	159
+c1cc(ccc1C#N)CN(C2C(NCCCC2)=O)S(=O)(=O)c3ccc(cc3)Cl	3544
+c1cc(ccc1C#N)CCC(C=Cc2c(cccc2)OCCCCCc3ccccc3)CCCCC(OCC)=O	8
+c1cc(ccc1CCC(CCCCC(OCC)=O)C=O)C#N	24
+c1cc(ccc1C)S(=O)(=O)OCCc2ccc(cc2)C#N	36
+c1cc(ccc1OCCc2ccc(cc2)C#N)C=O	262
+c1ccccc1S(=O)(=O)Nc2cc(ccc2)OCCc3ccc(cc3)C#N	69
+c1cc(ccc1C#N)CCOc2cc(N)ccc2	0
+c1cc(ccc1F)S(=O)(=O)NCc2ccc(cc2)C#N	71
+c1cc(ccc1C#N)Cn2c3c(F)cccc3c(C(O)=O)n2	1
+c1cc(ccc1C#N)Cn2nc(N)cc2	161
+c1cc(ccc1Nc2ccc(cc2)C#N)OC	275
+c1cc(ccc1OC)Sc2ccc(cc2)C#N	815
+c1cnccc1Oc2ccc(cc2)C#N	754
+c1cc(ccc1NC(Nc2ccc(cc2)C#N)=S)NNC=O	773
+c1cc(ccc1N(C)C(=O)c2cn3c(cnc3cn2)Br)C#N	10888
+c1cc(ccc1C)S(=O)(=O)OCCCNc2ccc(cc2)C#N	36
+c1ccccc1N(C(C2CCc3c(c4cc(ccc4[nH]3)C#N)C2)=O)C	518
+c1cc(ccc1C#N)Nc2cc(C)nc(C)c2N	13
+c1cc(ccc1C#N)Nc2ncc(C(O)=O)c(NCCC)n2	6
+o1c2c(c3cc(C#N)ccc13)cc(F)c(OC)c2	5082
+c1cc(ccc1C(=COC(F)F)C(NCCc2cc(OC)c(O)cc2)=O)Cl	16
+C1CCCCC1C(C(=O)O)NC(=O)C(C(NCc2ccccc2)=O)Cc3ccc(cc3)C(=N)N	4
+c1cc(ccc1-c2nc3c([nH]2)cccc3)-c4nc(-c5ccc(cc5)Cl)on4	2185
+c1cc(ccc1S(=O)(=O)ON=C(c2ccc(cc2)F)C#N)C	3643
+c1cc(ccc1CCO)-c2nc(on2)-c3c(CCC)c(on3)-c4ccccc4	10889
+c1cc(ccc1Oc2ncccc2)-c3nc(on3)-c4ccc(cc4)OCc5ccccc5	2304
+C1CC(CCN1C(=O)C)c2oc(-c3ccc(cc3)F)c(n2)CO	10890
+c1cc(ccc1C(=O)C(OCC)=O)Nc2ncccc2N	13
+c1cc(ccc1-n2cncn2)C(C)=O	4998
+c1cc(ccc1C(O)C)Oc2c([N+](=O)[O-])cc(cc2)Cl	74
+c1cc(ccc1[N+](=O)[O-])C2=CC(c3c(ccc(c3)OC)O2)=O	3166
+c1cc(ccc1C(C=2C(N(c3nnc(cc3)C)C(C=2O)=O)c4ccc(cc4)N5CCN(CC5)CCN(C)C)=O)C(C)C	4716
+c1cc(ccc1O)C(c2ccc(cc2)O)=C(CC)c3ccc(cc3)OCC(OCC)=O	1051
+CC(C)=CCCC=1CCC(CC=1)CCc2ccc(cc2)OC	165
+c1cc(ccc1CCCC(O)=O)CC(NC(=O)C)C	165
+c1cc(ccc1N)C(=O)CCC(O)=O	106
+c1cc(ccc1C(=O)O)C(CCC)=O	1
+c1cc(ccc1Sc2ccccc2)CCCC	165
+c1cc(ccc1-c2c(CCC(=O)O)c3cc(Cl)ccc3[nH]2)Cl	1150
+c1cc(ccn1)NC(c2ccc(cc2)C(=O)CNC(OCc3ccccc3)=O)=O	50
+c1ccccc1CN2C(=NC3=C(C2=O)CCCN3)C(N(C(=O)c4ccc(cc4)Br)CCN(C)C)CC	115
+c1ccccc1CN2C(=O)C=3CCCC=3N=C2C(N(CCN(C)C)C(=O)c4ccc(cc4)Br)CC	115
+c1cc(ccc1CCl)C(Nc2cc(ccc2C)Nc3nc(-c4cccnc4)ccn3)=O	50
+c1cc(ccc1C2(CCN(C2)Cc3ccccc3)C)NC(c4ccc(cc4)Cl)=O	50
+c1cc(ccc1Cl)C(Nc2ccc(cc2)Cc3c4c(n(c3C)CC(OCC)=O)cccc4)=O	50
+c1cc(ccc1Cl)C(Nc2ccc(cc2)Cn3nc(c4ccccc34)CC(=O)OCC)=O	50
+c1cc(ccc1C(Nc2ccc(cc2)SC)=O)Cl	50
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+c1cc(ccc1C(Nc2cnc(cc2)OCC(OC)=O)=O)F	660
+c1cc(ccc1[N+](=O)[O-])C(=O)Nc2scc(COc3ccc(cc3)CCCCn4ccnn4)n2	548
+c1cccc2-c3ccccc3C(c12)COC(=O)NCCOC(=O)c4ccc(cc4)[N+](=O)[O-]	279
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+c1cc(ccc1-c2nnc(o2)-c3c(noc3C)-c4ccccc4)C(n5ccnc5)=O	4859
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+c1cc(ccc1CNC(OCc2ccccc2)=O)C(=O)Nc3ccccc3N	67
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+c1cc(ccc1)Nc2ccc3ccc(NC(c4ccc(cc4)OC)=O)nc3n2	650
+c1cc(ccc1C=CC(OCCCCCCCl)=O)OC(c2ccc(cc2)OCCOC)=O	852
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+CC1(C)COC(c2ccc(cc2)C(OC)=O)=N1	10892
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+c1cc(ccc1Cl)C(C#N)(Cn2cncn2)CCCCCCCCCCCN3CC(C)OC(C)C3	10893
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+c1c2c(ccc1)Sc3c(cccc3)C2CC(=O)c4ccc(cc4)C#N	10894
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+CC(C)(c1ccc(cc1)F)CCC(=O)OCC	783
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+CC(C)(CC(OC)=O)c1ccc(cc1)C(Nc2nc3cc(C)nn3c(-c4ccccc4)c2)=O	330
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+c1cc(ccc1CN)-c2ocnc2	162
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+c1cc(ccc1)COc2cc(Oc3ccc(cc3)-c4oc(C)nn4)cc(c2)C(OC)=O	877
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+c1cc(ccc1C(OC)=O)SC(c2ccccc2OC)Cn3ccnc3	10909
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+c1cc(ccc1C(=O)O)C(Oc2ccc(cc2)Br)CCCCCC	1
+c1cc(ccc1CBr)Cc2cc(Br)ccc2Cl	394
+c1cc(ccc1Cc2cc(Br)ccc2Cl)CCOC(C)=O	394
+FC(F)COc1ccc(cc1)Cc2cc(ccc2Cl)Br	394
+c1cc(ccc1O)C(c2c3ccccc3[nH]c2)=O	5
+c1cc(ccc1C(=O)O)C(c2cc(OC)c(OC)cc2)=O	1
+c1cc(ccc1Br)C(=O)c2ccc(O)c(F)c2	5
+c1cc(ccc1C(CC(O)=O)c2ccc(cc2)Cl)Br	3
+c1cc(ccc1C(c2ccc(cc2)Cl)N3CC(C3)C(c4cc(F)cc(c4)F)C(C)=O)Cl	86
+c1cc(ccc1F)C2(c3ccc(cc3)F)C(=O)NCC2	10910
+c1cc(ccc1F)C2(c3ccc(cc3)F)CCCNC2=O	5058
+c1cc(ccc1F)C(c2ccc(cc2)F)=Cc3n(nnn3)C	10911
+c1cc(ccc1C(c2ccc(cc2)F)=C(n3cnnn3)CO)F	5083
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(C=O)n3cnnn3	5076
+c1cc(ccc1F)C(c2ccc(cc2)F)CCO	44
+c1cc(ccc1C(c2ccc(cc2)F)CCCCC(=O)N3CCNCC3)F	2
+c1cc(ccc1F)C(c2ccc(cc2)F)CCCCCN3CCN(CC3)CCOc4cc(c(OC)cc4)OC	15
+c1cc(ccc1C(c2ccc(cc2)O)=C(CC)c3cccc(OCCCCO)c3)O	44
+c1cc(ccc1C(c2ccc(cc2)O)=C(c3ccc(cc3)OCC(=O)O)CCCC)O	3
+c1cc(ccc1C(c2ccc(cc2)O)=C(CC)c3cccc(OCC(=O)O)c3)O	3
+c1cc(ccc1C(c2ccc(cc2)OC)(c3ccccc3)OCc4cc(CN)ccc4)OC	107
+c1cc(ccc1Cl)C(O)c2cc3c(cc(nc3cc2)O)-n4cncc4	488
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)(c3cc4c(cc3)nccc4Br)O	10912
+c1cc(ccc1C(c2ccc3c(c(cc(n3)O)-n4cncc4)c2)=O)Cl	10913
+c1cc(ccc1)C(=CC(NCCCCCCCCCC)=O)c2ccc(cc2)N	0
+CC(C)c1ccc2c(C(c3ccccc3C2=O)=O)c1	358
+c1cc(ccc1Cl)C(O)c2ccccc2Cl	488
+C1CNCCC1=C(c2cccnc2)c3ccc(cc3)F	215
+c1cc(ccc1C(c2n(c(C(OCC)=O)cc2C)CC)O)CCl	5084
+c1cc(ccc1CCl)Cc2c(cc(C(OCC)=O)n2CC)C	3156
+c1cc(ccc1C(c2sc(S(=O)(=O)N)cc2)=O)O	5
+c1cc(ccc1C)-c2c(cccc2)C(Nc3ccc(cc3)C(N(C)c4c(cccc4)C=O)=O)=O	39
+c1cc(ccc1N)Nc2c3c(ccc2)nc(-c4ccc(cc4)C)c(n3)-c5ccc(cc5)C	0
+n1cc(cnc1OCCOc2ncnc(N)c2-c3ccc(cc3)C)Br	482
+c1cc(ccc1C)-c2cc(-n3nnnc3)cc(C(O)=O)c2	1
+c1cc(ccc1-c2cc(cc(N)c2)C(OC)=O)C	0
+c1cc(ccc1C)-c2cc(cc(C(O)=O)c2)-n3c(C)nnn3	1
+c1cc(ccc1-c2n3c(c4ccccc4n3)nc(C)c2C(CCC)C(=O)O)C	4
+c1cc(ccc1C)-c2c(nc3cccc(c3n2)Nc4ccc(cc4)[N+](=O)[O-])-c5ccc(cc5)C	4483
+c1cc(ccc1C)-c2nc3cccc(c3nc2-c4ccc(cc4)C)N	13
+c1cc(ccc1C)-c2oc(C)c(n2)Cc3cccc(CO)c3	41
+c1cc(ccc1C)-n2c(NC(=O)Oc3ccccc3)cc(C(C)(C)C#C)n2	278
+c1cc(ccc1-n2cc(cn2)[N+](=O)[O-])C	1158
+c1cc(ccc1C)C(O)C(Nc2c(Cl)nccc2)=O	5085
+c1cc(ccc1F)-c2scc(n2)-c3ccc(cc3)C	1741
+c1cc(ccc1C(Nc2ccc(cc2)C(=O)CCC(OC)=O)=O)C	50
+c1cc(ccc1C)-c2nnc(o2)CCl	1705
+c1cc(ccc1Cc2c(C)cc(cc2)OC)C	394
+c1cc(ccc1C(O)CN(Cc2cc(ccc2)Br)C)C	74
+c1cc(ccc1C)C=Cn2c3c(c4CN(C)CCc24)cccc3	10914
+c1ccccc1CNc2c(c3c(c(C)c2C)OC(C)(C)C3c4ccc(cc4)C)C	250
+c1cc(ccc1C)C2N(CCC2)c3nc(cc(n3)C(O)=O)Nc4sc(C#N)cn4	1
+c1cc(ccc1Cl)CC(NN2N=C(c3ccccc3C2=O)c4ccc(cc4)C)=O	2487
+c1cc(ccc1C)CC(C(OCC)=O)OCC	10915
+c1cc(ccc1CC(CO)OCC)C	44
+c1cc(ccc1CC2(CCCN(C(=O)C)C2)C=O)C	24
+c1cc(ccc1C)CC2=Nn3c(C(N2)=O)c(C)nc3C(C(C)O)CCCCC	5064
+c1cc(ccc1S(=O)(=O)OCCCc2ccc(cc2)C)C	36
+c1cc(ccc1CCOS(=O)(=O)c2ccc(cc2)C)C	36
+c1cc(ccc1C)CC2=NC(c3c(C)nc(C(CCCCC)C(=O)C)n3N2)=O	3164
+c1cc(ccc1C)Cc2nc(c(C(N)C)nn2)O	524
+c1cc(ccc1NC(=O)NC2(c3c(cccc3)N(C2=O)CC(OCC)OCC)CC(=O)Nc4ccc(cc4)C)C	33
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2)C)F	69
+c1cc(ccc1C)N(N)CCc2cnc(Cl)cc2	1651
+c1cc(ccc1C)NS(=O)(=O)Nc2c(-c3ccc(cc3)C)c(Cl)ncn2	570
+c1cc(ccc1Oc2ccc(cc2)C)[N+]([O-])=O	46
+c1cc(ccc1C)OCCNCC	15
+c1cc(ccc1Oc2c(cc(cc2)C)CO)C	49
+c1cc(ccc1Sc2nc(ncc2)Cl)C	1124
+O=S(=O)(Nc1c(C(=O)OC)cc(cc1)Oc2cc(C)c(cc2)NS(=O)(=O)c3ccc(cc3)C)c4ccc(cc4)C	69
+c1cc(ccc1N(C)C)C=Cc2ccc(OCCOCCOCCOS(=O)(=O)c3ccc(cc3)C)nc2	36
+c1cc(ccc1NC(=O)C)CCCCOS(=O)(=O)c2ccc(cc2)C	36
+c1cc(ccc1CCOS(=O)(=O)c2ccc(cc2)C)Br	36
+c1cc(ccc1C)S(=O)(=O)OCCc2ccc(cc2)F	36
+c1cc(ccc1[N+]([O-])=O)CCOS(=O)(=O)c2ccc(cc2)C	36
+c1cc(ccc1CNc2oc(-c3cc4c(cc3)n(S(=O)(=O)c5ccc(cc5)C)cc4I)nn2)OC	367
+c1cc(ccc1S(=O)(=O)NCC(CC(=O)Nc2ccccc2)c3ccc(cc3)Cl)C	71
+c1cc(ccc1S(=O)(=O)N2C(c3ccc(cc3)F)CCC2C(OC)=O)C	1387
+c1cc(ccc1C)S(=O)(=O)Nc2c(NC(=O)Nc3ccc(cc3)F)cccc2	69
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2)F)C	69
+c1cc(ccc1Nc2nc(-c3ccccc3)c(cn2)C#N)OCCOS(=O)(=O)c4ccc(cc4)C	36
+c1cc(ccc1O)CCOS(=O)(=O)c2ccc(cc2)C	36
+c1cc(ccc1OC)CCCCOS(=O)(=O)c2ccc(cc2)C	36
+c1cc(ccc1OC)Cn2nc3c(c2)-c4c(CCN3CCOS(=O)(=O)c5ccc(cc5)C)sc(Nc6ncc(cn6)F)n4	36
+c1cc(ccc1C)S(=O)(=O)OCCCOc2ccc(cc2)-c3cn4cc(ccc4n3)Br	36
+c1cc(ccc1C)S(=O)(=O)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br	36
+c1cc(ccc1S(=O)(=O)OCC2CCc3ccc4c(NC(=O)N4)c3O2)C	36
+O=S(=O)(c1ccc(cc1)C)n2cccc2	917
+O=S(=O)(c1ccc(cc1)C)OC(C)CCOc2cc(ccc2)CC(=O)OC	36
+c1cc(ccc1S(=O)(=O)OCCC2c3c(CCC=4CC=CCC2=4)cccc3)C	36
+c1cc(ccc1C)S(=O)(=O)OCC(N2C(c3c(cccc3)C2=O)=O)C	36
+O=S(=O)(OCC1Oc2c(cccc2)OC1)c3ccc(cc3)C	36
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCOCCOS(=O)(=O)c4ccc(cc4)C	36
+c1cc(ccc1C)S(=O)(=O)OCC2C(NC(Cc3ccccc3)=O)C(N2Cc4c(OC)cc(cc4)OC)=O	36
+c1ccccc1CCOCCOS(=O)(=O)c2ccc(cc2)C	36
+c1ccccc1CNC2C(C)CC(COS(=O)(=O)c3ccc(cc3)C)CC2	36
+c1cc(ccc1)COC(=O)N2CCC(NC(OCc3ccccc3)=O)C2COS(=O)(=O)c4ccc(cc4)C	36
+c1cc(ccc1S(=O)(=O)NCC2=CC(C(=CO2)OCc3ccccc3)=O)C	2422
+c1cc(ccc1C)S(=O)(=O)OCC(COCc2ccccc2)CC	36
+c1cc(ccc1S(=O)(=O)OCC2CC=CCC2COCc3ccccc3)C	36
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCCOCCOCCOCc2ccccc2)C	36
+O=S(=O)(c1ccc(cc1)C)OC(C)CCOc2ccccc2	36
+c1cc(ccc1S(=O)(=O)OCCC2CC2C3CCN(CC3)c4ncc(cn4)Cl)C	36
+O=S(=O)(c1ccc(cc1)C)OC(Cc2nc3c4c(c(ccc4)OC)nc(n3n2)NCc5ccc(OC)cc5OC)C	36
+c1cc(ccc1C)S(=O)(=O)OCC2OC(c3cc(Cc4sc(cn4)-c5occc5)c(cc3)Cl)C(O)C(O)C2O	36
+c1cc(ccc1S(=O)(=O)n2ncc3c(cc(Br)cc23)C#N)C	3123
+O=S(=O)(c1ccc(cc1)C)OC(CC=Cc2cncc(OC)c2)C	36
+O=S(=O)(c1ccc(cc1)C)OCCn2ccnn2	36
+c1cc(ccn1)CN2CC(C)(C)C(NC(=O)CC3N(S(=O)(=O)c4ccc(cc4)C)C=CNC3=O)CC2	48
+c1cc(ccc1-c2cc3NCC(C)N(C(C)=O)c3cn2)S(=O)(=O)C	2252
+n1ccn(c1)-c2ccc3OCCNCCOc3c2	2721
+c1cc(ccc1C)S(=O)(=O)N2CCOc3cc(ccc3OCC2)N	0
+c1cc(ccc1C)S(=O)(=O)N2CCc3c(C2)cc(C(O)=O)s3	6
+c1cc(ccc1C)S(=O)(=O)NCCc2ccccc2O	5
+c1cc(ccc1C)S(=O)(=O)Nc2c(C(OC)=O)cc(cc2)Oc3ccc(N)c(NCCCC)c3	0
+c1cc(ccc1C)S(=O)(=O)Nc2c(C(OC)=O)cc(Oc3cc(C)c(cc3)N)cc2	0
+c1cc(ccc1C)S(=O)(=O)Nc2ccc(cc2C(OC)=O)Oc3cc(c(N)cc3)OCCC	0
+c1cc(ccc1C)S(=O)(=O)OCC(CC)CO	118
+O=C1c2c(cccc2)C(=O)N1C(COc3c4c(cncc4)ccc3)C	267
+O=S(=O)(CC)NC1C(CCCC1)CSc2ccc(cc2)C(C)C	3138
+c1cc(ccc1S(=O)(=O)OCC2CCc3c(O2)c(cc(F)c3)Br)C	374
+c1cc(ccc1CC(C)(C(OCC)=O)OC)OCCC2=CN(Cc3ccc(cc3)C)C(N2CCC)=O	450
+c1cc(ccc1C(OCC)=O)OCCCCCC(OC)C	267
+c1cc2CCN(Cc2cc1)CCCCOc3cccc(Cl)n3	236
+C1CN(CCN1CCCc2c[nH]c3c2cc(OC)cc3)c4ccc(cc4)N5C(=O)c6ccccc6C=C5	236
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(nc4)c(C)c(-c6ccc(cc6)OCCCl)cc5	267
+c1cc(ccc1Cc2c(ccc(C3C(O)C(O)C(O)C(CO)O3)c2)Cl)OCCOCCF	450
+c1cc(ccc1CCSc2c(cccc2)N)C#N	3138
+c1cc(ccc1C)S(=O)(=O)OCCC2=CN(C(=O)N2CCC)Cc3ccc(cc3)C	1312
+C1C(CC1COS(=O)(=O)c2ccc(cc2)C)c3n4ccnc(N)c4c(-c5cc(OCc6ccccc6)ccc5)n3	1312
+C1CCCCN1CCOc2cc(ccc2Br)O	4963
+C1CC(CCN1Cc2c3c([nH]c(-c4c5c(cc(c(OC)c5)OC)n(c4)C)c3)ncc2)O	392
+c1cnc2[nH]c(-c3c4nc(OC)c(cc4n(C)c3)OC)cc2c1CNCCc5n(cnc5)C	392
+CC(C)c1c2c(ncc(c2)Br)[nH]c1	392
+c1cc(ccc1C)S(=O)(=O)n2c3c(cc2)c(ccc3)CN	817
+Clc1cnc2[nH]cc(-c3nc(c(cn3)F)NC4CN(CC(COC)O)CCC4)c2c1	392
+C1CC2(CCN1c3nc(OC)cc(n3)C)C(=O)N(Cc4c5c([nH]c4)cccc5)CCC2	5010
+O=S(=O)(n1ncc(c1)C=O)c2ccc(cc2)C	576
+C1(CNc2c(F)cnc(-c3c[nH]c4ncc(cc34)Cl)n2)CCCCC1N	392
+C1C(CC1)(C)C(CC(=O)OC)Nc2nc(ncc2F)-c3c[nH]c4ncc(cc34)F	392
+c1cc(ccc1C)S(=O)(=O)n2cc(CO)cn2	536
+O=S(=O)(c1ccc(cc1)C)n2c3c(cc2)n4c(cn3)nnc4C5C(CC)CC(C5)NC(C)=O	10916
+c1cc(ccc1C2(CN(Cc3ccccc3)CC2)C)N	15
+c1cc(ccc1C2(C(=O)NC(NC2=O)=O)N3CCN(CC3)c4ccc(cc4)N5C(=O)CCC5=O)-c6ccccc6	10917
+c1cc(ccc1C2(C(c3ccc(cc3OC2)OCOC)c4cccc(O)c4)C)OCOC	4250
+c1cc(ccc1OCc2cc3c(Br)csc3cc2)C4(CC(C4)=O)CC(OCC)=O	20
+c1cc(ccc1-c2csc(n2)N)C3(CC3)C(=O)O	4
+C1CC(CCC1=O)(c2ccc(cc2)F)C#N	10918
+c1cc(ccc1Cl)C2(CCC2)CN3CC(CCCC3)CO	15
+c1cc(ccc1N)C2(CCC2)c3ncco3	0
+c1cc(ccc1C2=CCC3(OCCO3)CC2)F	252
+C1CC(CCO1)(c2ccc(cc2)OCCCN3CCCC3)CO	95
+C1COCCC1(c2ccc(cc2)N)C(OC)=O	0
+C1CC(CCO1)(CCNCc2ccccc2)c3ccc(cc3)F	42
+c1cc(ccc1-c2c(Cl)cc3[nH]cc(C(OC)=O)c3c2)C4(COC4)CO	118
+c1cc(ccc1I)C(C=O)C	10919
+c1cc(ccc1C2(OCC(C)(C)CO2)CSCC(=O)N3C(c4ccccc4)COC3=O)C	2912
+c1cc(ccc1C2(OCC(C)(C)CO2)CSCC(=O)O)C	3
+c1cc(ccc1CC=C(C)C)C(C)=O	1367
+C1COC(O1)(C)c2ccc3noc(-c4ccccc4)c3c2	10920
+O1CCOC1(c2ccc(cc2)Cl)c3ccc4nc(cc(c4c3)-c5cccc(OC)c5)O	10921
+c1cc(ccc1C(O)=O)C2(SC(=NC(c3ccc(cc3)F)C)NC2=O)C	1
+c1cc(ccc1C2(c3ccc(cc3)F)CCCN(C2=O)CC(=O)O)F	3
+c1cc(ccc1-c2c(-c3ccncc3)c(O)nnc2)Cl	10922
+c1cc(ccc1C=2C(=O)N3C=Cc4c(ncn4C)C3=C(C(=O)O)C=2)OCc5ccccc5	127
+c1cc(ccc1C2=CC(=C3c4sccc4C=CN3C2=O)C(O)=O)OCc5ccccc5	127
+c1cc(ccc1F)C2CCC3(CC2)OCCO3	191
+c1cc(ccc1C=2NC(=O)ON=2)N	10923
+c1cc(ccc1-c2nnc(O)cc2)CCOC(=O)C	2566
+c1cc(ccc1N2C(=O)C=CC=N2)C3C(CN(C)C)C3	10924
+c1cc(ccc1C2C(c3c4c(c(O)nn3)cccc4N2)c5ccc(cc5)F)C=O	10925
+c1cc(ccc1C2Oc3ccc(O)cc3C(C)=C2c4ccc(Cl)c(F)c4)OCC(N5CCC(CF)C5)C	805
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)NS(=O)(=O)c4ccc(cc4)C(C)C	69
+c1cc(ccc1C(C)C)S(=O)(=O)Nc2ccc(cc2)C3CC4CN(CC34)CCC	15
+C1C(=O)N(C(CC1c2ccc(cc2)N)=O)C	0
+c1cc(ccc1C2CC(NC(c3cc(c(cc3)F)OC)C)CC2)CC(O)=O	3
+c1cc(ccc1C2CC2C(=O)NCCCCCCCCCC)N	0
+c1cc(ccc1O)C2CCC(CC2)CC(=O)OCC	774
+c1cc(ccc1C2CCC(CC2)C(=O)O)NC(c3cc(Cl)c(Cl)cc3)=O	887
+c1cc(ccc1C2CCC(c3ccc(cc3)[N+]([O-])=O)N2c4ccc(cc4)-c5cnc(cc5)N6CCOCC6)N	0
+c1cc(ccc1C2CCC(c3ccc(cc3)N)N2c4ccc(cc4)-c5ccc(N6CCOCC6)nc5)N	0
+c1cc(ccc1C)C2N(c3nc(cc(n3)C(OC)=O)Nc4sc(C#N)cn4)CCC2	117
+C1CC(CCN1CC2CNCC2C3CC3)c4ccc(cc4)F	1569
+c1cc(ccc1)CN2CCC(c3ccc(cc3)F)C(C2)O	131
+C1CS(CCN1C(N2CC(c3ccc(cc3)OC(F)F)CC(C(O)=O)C2)=O)(=O)=O	4
+c1cc(ccc1C2CC(=O)N(C2)CC(O)=O)Cl	3
+c1cc(ccc1C)C(Cn2c3c(cccc3)c4CN(CCc24)C)O	2695
+c1cc(ccc1Cl)C2C(O)CCOC2	100
+c1cc(ccc1S(=O)(=O)n2nc(c(c2C)CCN3CCCC3c4ccc(cc4)C=CC(=O)OC)C)C	123
+c1cc(ccc1-c2nc(C)on2)C3OCCN(C3)C4=NC(c5ccncn5)=CC(=O)N4C	2803
+c1cc(ccc1C2CCCN3CCS(=O)(=O)N=C23)Oc4c(C)cccc4	2293
+O=S1(=O)CCN2CCCC(c3ccc(cc3)Oc4ccc(F)c(C)c4)C2=N1	2293
+c1cc(ccc1Oc2ccc(C)c(C)c2)C3CCCN4CCS(=O)(=O)N=C34	2293
+c1cc(ccc1CN)C=2C=CC(N(N=2)Cc3cc(NC(OCC)=O)ccc3)=O	107
+c1cc(ccc1Cl)-c2cc(ncc2)O	10926
+c1cc(ccc1-c2cc(O)nnc2)F	10927
+c1cc(ccc1Br)Oc2c(sc3cc(ccc23)OC)-c4ccc(cc4)OC	10928
+c1cc(ccc1[N+]([O-])=O)C2C(=C(NC(CCC)=C2C(OCc3ccccc3)=O)CCC)C(=O)OCCC#N	10929
+c1cc(ccc1C2C(C(c3ccccc23)=O)C(OCC)=O)O	10930
+c1cc(ccc1C=C(CO)C)C	10931
+c1cc(ccc1CCc2n3cncc3ccc2)C=C(C)C(O)=O	108
+c1cc(ccc1C(=O)O)CC(C)=O	4964
+CC(C)(c1ccc(cc1)C=C(CO)C)CC	2874
+C1CN(CCN1C(=O)C)c2ccc(cc2)C=Cc3cc(cc(-c4ccncc4)c3)Cl	722
+c1cc(ccc1C=Cc2cc(F)cc(-c3ccncc3)c2)N4CCN(CC4)C(=O)C	722
+c1cc(ccc1CC2SC(NC2=O)=O)OCCN(c3nc4ccccc4s3)C	534
+c1cc(ccc1CC2SC(NC2=O)=O)OCCc3ccc(cc3)C#N	534
+c1ccccc1CCSc2ccc(cc2)CC3SC(=O)NC3=O	534
+c1cc(ccc1COCC(=O)O)C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5	3
+c1cc(ccc1-c2cccc(c2)N(C(NCCCCCCC)=O)CC)CCC(=O)O	159
+c1cc(ccc1C=CC(=O)O)-c2cc(ccc2)N(C(NCCCCCCC)=O)CC	127
+c1cc(ccc1CCC(=O)OC)C	159
+c1cc(ccc1CCC(=O)OC)C(=O)O	159
+c1cc(ccc1CNc2ccc(cc2)C=CC(=O)OCC)C#CCCCCCCCC	208
+c1cc(ccc1Cl)CCC(=O)C(C)(C)C(C)C	1847
+c1cc(ccc1C=CC(C(CC=Cc2ccccc2C)(CCC(O)=O)c3ccccc3)=O)Cl	4
+c1cc(ccc1C#Cc2ncc(cc2F)-c3ccc(cc3)Cl)C=CCN4CCC(CC4)(C)O	129
+c1cc(ccc1F)CCc2ccc(F)cc2C#N	1442
+c1cc(ccc1C=Cc2cc(OCC(CCCC)CC)c(N)cc2OCC(CCCC)CC)C#N	0
+c1cc(ccc1C=Cc2cc(ccc2)-n3c(c(c(CC)n3)C(=O)O)CC)Cl	1
+c1cc(ccc1CCc2cc(F)cc(-c3ccncc3)c2)N4CCN(CC4)C(=O)C	1442
+c1(cc2c(ccc3ccc(OC)cc23)cc1)Br	5086
+c1(cc2c(ccc3c2cc(Cl)cc3)cc1)Br	5086
+C1CN(CCC1c2c[nH]c3c(C(=O)N)cc(-c4ccc(cc4)CNOC)cc23)S(=O)(=O)CC	1059
+c1cc(ccc1CNOC)F	1059
+c1cc(ccc1-c2cc(cc(c2)-c3ccccc3)C(NC)=O)C=O	11
+c1cc(ccc1-c2ccc(OCc3ccccc3)c(CN(C)C(CCCCCCC)=O)c2)C=O	11
+c1cc(ccc1C=O)-c2cc(ccn2)-c3n4c(nc3-c5nc(C)ccc5)ccc(c4)Cl	119
+c1cc(ccc1C=CC(=O)OC)C	10932
+c1cc(ccc1C#Cc2ccc(cc2)C(=O)OCC)C=O	129
+CC(C)C(C(=O)OC)C(=O)Nc1ccc(cc1)C#Cc2ccc(cc2)C=O	129
+c1cc(ccc1C#N)CN(Cc2ccc(cc2)C#N)CCCCN(CCC)CCC	48
+c1cc(ccc1C#N)-c2nc3c(cccc3)[nH]2	622
+C1CCCC1CC(=O)c2ccc(cc2)CO	41
+c1cc(ccc1C(=O)O)C=NNc2c3cnn(-c4ccccn4)c3ncn2	878
+c1cc(ccc1C=CC(=O)N2C(c3[nH]c4ccccc4c3CC2)c5ccc6OCOc6c5)CO	41
+c1cc(ccc1CO)C=O	41
+c1ccccc1-c2c(CC)sc(C(C=Cc3ccc(cc3)C=O)=O)c2	307
+c1cc(ccc1C=Cc2nc(N)nc(N)n2)C=O	10933
+c1cc(ccc1C=C)Cc2cc(ccc2Cl)Br	443
+c1cc(ccc1F)C=Nc2ccc(cc2)S(=O)C	457
+c1cc(ccc1Oc2ccc(cc2)C=O)-c3occn3	46
+c1cc(ccc1Oc2ccc(cc2)C=O)C#N	46
+c1cc(ccc1C(=O)OC)Oc2ccc(cc2)C=O	46
+c1cc(ccc1OC)-c2cc(Oc3ccc(cc3)C=O)ccc2	46
+c1cc(ccc1F)-c2ocnc2	2288
+c1cc(ccc1Oc2cccc(OCC=C)c2)C=O	46
+c1cc(ccc1C=O)OCCN(c2nc3ccccc3s2)C	57
+c1cc(ccc1Oc2c(c(CCCCC)cc3cc(OC)ccc23)-c4ccccc4)C=O	46
+c1cc(ccc1C=CCCCCCCCC(=O)O)F	5011
+c1cc(ccc1OCCN(c2ncccn2)C)C=O	57
+c1cc(ccc1C2C(c3ccc(OC4CCCCO4)cc3OC2c5ccc(cc5)I)=O)F	10934
+c1cc(ccc1Oc2ncc(cc2)C(N)=O)C=O	136
+c1cc(ccc1C=CC=2N(C(=O)c3c(cccc3)N=2)c4ccc(cc4C)C#Cc5ccccc5)O	2066
+c1cc(ccc1C=C(C(c2ccccc2)=O)C(OCC)=O)O	10935
+c1cc(ccc1OCc2cscc2)C=O	20
+c1cc(ccc1OCC)CO	41
+c1cc(ccc1CO)OCCF	41
+c1cc(ccc1OCCOC)CO	41
+c1c(Cl)c(c(cc1C)Cl)OCCOc2ccc(cc2)CO	41
+c1cc(ccc1CCOc2ccc(cc2)C=O)O	173
+c1ccccc1-c2c(C)cc3cc(ccc3c2Oc4ccc(cc4)O)OC	1437
+C1CC(CCN1C(C)=O)c2nc(Nc3ncc(Oc4ccc(cc4)CO)cc3Sc5ccccc5Cl)sn2	41
+c1cc(ccc1S)C=O	5087
+c1cc(ccc1Sc2c(Br)cccc2)CO	41
+c1cc(ccc1CN2c3c(C(N(Cc4ccc(cc4)C(OC)=O)C2=O)=O)cccc3)C	1939
+c1cc(ccc1CN2C(=O)N(CCC)C(C(OCc3ccccc3)C)=N2)C	1712
+c1cc(ccc1S(=O)(=O)N(C2CCCC(C)C2)Cc3ccc(cc3)C(OC)=O)Cl	692
+C1CC1CN2CCC34C5(C2Cc6c3c(OC4C(OCc7ccc(cc7)OC)CC5)c(cc6)OCc8ccccc8)O	149
+c1cc(ccc1CC2CCN(c3sc(c(C)n3)C(NCc4ccccc4)=O)C2=O)OC(F)F	1554
+c1cc(ccc1)S(=O)(=O)NC(=O)c2cc(c(NC(C)=O)cc2)NCc3ccc(cc3)OCc4ccccc4	608
+c1cc(ccc1-n2cnc3c2c4c(nc3)ccc(-c5ccc6OCOc6c5)c4)CCN	51
+c1cc(ccc1C2=CN(Cc3ccc(cc3)Cl)C(C=C2)=O)CC#N	2243
+c1cc(ccc1Nc2ncc(cc2)C(=O)N)CC#N	201
+c1cc(ccc1CC(C(OCC)=O)CP(=O)(O)C(C)NC(=O)OCc2ccccc2)Br	10936
+CN(C)CCNC(=O)Cc1ccc(cc1)N	890
+c1cc(ccc1Cc2oc(nn2)-c3c(c4C(=O)N(C)CCn4c3)OC)F	10937
+c1cc(ccc1CCCCO)CC(OC)=O	213
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)O	5
+c1cc(ccc1C(=N)N)CC(C(=O)NC(C(OC)=O)C2CCCCC2)C(=O)NCc3ccccc3	3814
+c1ccccc1C(Cc2ccc(cc2)Cl)C(O)=O	4
+c1cc(ccc1-c2ccccc2C#N)CC3=C(n4c(N(C(C)COC)C3=O)nc(C)n4)CCC	3241
+c1cc(ccc1CC(C(O)=O)Cl)OCC2(CCc3c(C)c(OC(C)=O)c(c(C)c3O2)C)C	3
+c1cc(ccc1CC(C(O)C)c2cc(Br)ccc2)Cl	100
+c1cc(ccc1OCCc2ccc(cc2)COC)CC(CC)C(OC)=O	20
+c1ccccc1CC2(CCCC2)C(NC(C(OC)=O)Cc3ccc(cc3)N)=O	0
+c1cc(ccc1N)CC(C(OC)=O)NC(c2c(Cl)cccc2C)=S	0
+c1cc(ccc1CCC(=O)C)[N+]([O-])=O	1965
+c1cc(ccc1OCCC2=CN(Cc3ccc(cc3)C)C(N2CCC)=O)CC(C(O)=O)(C)OC	3
+CC(C)(CN1CCCC(CNC(=O)Nc2cc(-c3n(nnn3)C)ccc2)C1)Cc4ccc(cc4)F	15
+c1cc(ccc1CC(CCC2(CC2)CC(OCC)=O)C=Cc3c(cccc3)OCCCCCc4ccccc4)C(=O)OC	8
+c1cc(ccc1F)-c2cnc3ncc(Cc4ccc(cc4)OC)n3c2	2583
+c1cc(ccc1CC(NC(=O)CCCCCCc2ccccc2)CCC#N)OCc3ccccc3	143
+c1cc(ccc1F)CC(CCC2CCC(=O)N2)O	100
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+C1CCCCN1C(CN2C3=NC(c4oc(Cc5ccc(cc5)F)cn4)=C(OCc6ccccc6)C(=O)N3C=C2)=O	10938
+C1CCCC1(C(NC(Cc2ccc(cc2)N)C(=O)OC)=S)CCCCS(=O)(=O)C	0
+c1cc(ccc1N)CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O	0
+c1cc(ccc1CC(C(OC)=O)NC(c2c(Cl)cccc2C)=S)[N+]([O-])=O	581
+c1cc(ccc1C)CC(=O)Nc2c(ccc(-c3c(cccc3)-c4nnn[nH]4)c2)-n5nccc5	33
+c1cc(ccc1OC)-c2cnc(-c3cc(ccc3)C(NNC(Cc4ccc(cc4)C(OC)=O)=O)=O)o2	708
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+c1cc(ccc1CC(OC)=O)CC(N)c2cccnc2	10939
+c1cc(ccc1OCCCOc2ccc(cc2)CC(OC)C(=O)OCC)OCC(F)(F)C(F)F	8
+c1cc(ccc1C2=C(c3cnccc3)COC2=O)OCc4ccc5ccccc5n4	10940
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+c1cc(ccc1N2CCOCC2=O)CC(OCC)=O	1525
+c1cc(ccc1F)S(=O)(=O)NC(Cn2cncc2)C(=O)Nc3ccc(cc3)CC(O)=O	3
+c1cc(ccc1OCC(=O)N(Cc2c(cc(F)cc2)F)Cc3ccc(cc3)CC)CC(OCC)C(OCC)=O	10
+c1cc(ccc1OCC(=O)c2cccc(OC)c2)CC(C(O)=O)OCC	3
+c1ccccc1OC(Cc2ccc(cc2)OCCO)C(OCC)=O	168
+c1cc(ccc1CC(c2ncc(CC(C)(C)CC)n2C)NC)-c3ccc(F)cn3	62
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+c1cc(ccc1CC)Cc2c(cccc2)O	5
+c1cc(ccc1C)CC2(CCCN(C(=O)C)C2)CC=O	3828
+c1cc(ccc1CC2(CCN(CC2)C(=O)C3CN(c4cc(c(C(C)=O)cc4O3)Cl)Cc5ccccc5)C#N)F	155
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+c1cc(ccc1CC=2C(N(c3cccc(c3)C(C)O)C(=NC=2CCCC)C)=O)-c4ccccc4C#N	74
+C1CC(CCC1N2C(C(=C(n3c2ncn3)CCC)Cc4ccc(cc4)-c5ccccc5C#N)=O)=CCO	4283
+C1CC(CCC1Cc2ccc(cc2)F)=O	97
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN	18
+c1cc(ccc1CC=2C(N(C3CCC(CC3)C(=O)O)c4n(ncn4)C=2CCC)=O)-c5ccccc5C#N	3
+c1cc(ccc1CC=2C(N(C3CCC(CC3)OCC(O)C=C)c4n(ncn4)C=2CCC)=O)-c5ccccc5C#N	4796
+c1cc(ccc1Cl)CC=2c3c(C(N(N=2)CC4CCCN4CCN)=O)cccc3	45
+c1cc(ccc1CC=C(C)C)C(C)O	74
+c1ccccc1C(c2ccccc2)(C(N)=O)C3CN(CCc4ccc(cc4)C(=O)N)CC3	28
+c1cc(ccc1[N+]([O-])=O)CCNCCc2ccc(cc2)[N+]([O-])=O	132
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4ccc(cc4)[N+]([O-])=O)O	28
+c1cc(ccc1CCC#Cc2ccc(cc2)OC)CC(OC)=O	121
+c1cc(ccc1CC(=O)OC)CCCCc2ccc(cc2)OC	213
+c1cc(ccc1-c2c3c(nc(O)c4sccc34)ccc2O)CCC#N	5
+c1cc(ccc1CCCCCCCCC(O)=O)OC	1571
+c1cc(ccc1[N+]([O-])=O)CCCN	15
+c1cc(ccc1CCC(N)=S)[N+]([O-])=O	199
+c1cc(ccc1C)CCCO	21
+c1cc(ccc1CCC(=O)O)C	4
+c1cc(ccc1CCC(OC)=O)OCc2ccc(cc2)CCl	657
+c1cc(ccc1CCC(C(NO)=O)(S(=O)(=O)C)C)Oc2ccccc2	792
+c1cc(ccc1C(=O)OC)CCC(C(=O)O)CCC2(CC2)CC(OCC)=O	2819
+c1cc(ccc1-n2cccn2)CCC(S(=O)(=O)C)(C(=O)O)C	3
+c1cc(ccc1CCC(C(OCC)=O)(C)S(=O)(=O)C)-n2cccn2	1158
+O=S(=O)(C(C(=O)O)(CCc1ccc(cc1)Br)C)C	3
+c1cc(ccc1Br)CCC(Cn2cncc2)=O	5088
+c1cc(ccc1C#N)CCC(CCCCC(OCC)=O)CO	21
+c1cc(ccc1C#N)CCC(CCCCC(OCC)=O)C=Cc2c(O)cccc2	3170
+c1cc(ccc1CCC(N(CCC)Cc2ccc(F)cc2F)=O)OCc3ccccc3C(=O)O	1
+c1cc(ccc1CCC(NC=2NCCCN=2)=O)C(=O)NCC(N)C(O)=O	1388
+c1cc(ccc1Br)CCCNCC(c2cccnc2)O	15
+c1cc(ccc1CCC2NCCc3c2c(cc(c3)OC)OC)F	10942
+c1cc(ccc1CCC(=O)O)OCc2cc(Oc3cc(ccc3)C)ccc2	4
+c1cc(ccc1C#N)CCCO	44
+c1cc(ccc1CCC)-c2nc(-c3cc(I)c(cc3Cl)O)no2	1206
+c1cc(ccc1CCCO)-c2c(F)c(c(cc2)OCC)F	237
+c1cc(ccc1CCCn2cncn2)[N+]([O-])=O	10943
+c1cc(ccc1CCCC=C)C#N	2142
+c1cc(ccc1-c2oc(nn2)-c3ccccc3SCC)CCCCC	1782
+c1cc(ccc1-c2ccc(cc2)CCCCCCCC)[N+](=O)[O-]	134
+c1cc(ccc1CCO)CCCCCCCC	59
+c1cc(ccc1O)CCCCCCCCC(O)=O	5
+c1cc(ccc1CCCCCCCCCCCCCCCCCC)S(=O)(=O)Nc2nncs2	1140
+c1cc(ccc1CCCCN2C(CCC2)CN3C(=O)c4c(C(Cc5ccc(cc5)Cl)=N3)cccc4)O	5
+c1cc(ccc1CC(OC)=O)CCCC=O	24
+c1cc(ccc1OCC2OC(C)(C)OC2)CCCC=O	24
+c1ccccc1COc2ccc(cc2)OCCCc3ccc(cc3)OCc4ccccc4C(=O)OC	20
+c1cc(ccc1N)CCCc2ccc(cc2)Nc3c(cccc3)C(=O)O	0
+c1cc(ccc1CCCl)-c2nocc2C(O)=O	1
+c1cc(ccc1CCCn2ccnc2)OCc3coc(-c4cc(cs4)C)n3	2669
+c1cc(ccc1O)CCCn2ccnn2	16
+c1cc(ccc1N)CCCn2cncn2	0
+c1cc(ccc1)OC(NCCc2ccc(cc2)-n3c4c(c(C)cc(C)n4)nc3CC)=O	101
+c1cc(ccc1CCNC(=O)c2cc(-n3cnnn3)cc(-c4ncccc4OC)c2)F	14
+c1cc(ccc1)-c2c3c(ncnc3oc2-c4ccccc4)NCCc5ccc(cc5)N	10944
+c1cc(ccc1F)OCC(O)CNCCc2ccc(cc2)NS(=O)(=O)c3ccccc3	122
+c1cc(ccc1Nc2ncc(cc2)C(=O)N)CCNCc3ccccc3	42
+c1cc(ccc1CCNc2nccc(n2)-c3cccc(c3)CN(S(=O)(=O)C)Cc4ccncc4)O	96
+c1cc(ccc1CCNCC2Cc3c(CC2)cccc3)OC	132
+c1cc(ccc1CCN2CCCC(=O)CC2)OC	97
+c1cc(ccc1[N+]([O-])=O)C(O)CN2CCN(CC2)CCc3ccc(cc3)[N+]([O-])=O	74
+c1cc(ccc1CCOC2OCCCC2)CCN	18
+c1cc(ccc1CCNC(C)=O)C(C2C(N(c3cc(ccc23)F)C(=O)C)=O)=O	3071
+c1cc(ccc1NS(=O)(=O)c2ccccc2)CCNC(=O)OCc3ccccc3	69
+c1cc(ccc1CCNC(c2cc(N)c(Oc3ccc(CC(OC)=O)cc3Cl)cc2)=O)Cl	0
+c1cc(ccc1-n2c3c(c(C)cc(C)n3)nc2CC)CCN(C)C(=O)NS(=O)(=O)c4ccc(cc4)C	10945
+c1cc(ccc1CCNc2c(c(CC)ncn2)C(OCC)=O)CCO	168
+c1cc(ccc1CCNc2nc(nc(COC)c2)Cl)OC	629
+c1cc(ccc1CCNc2nc(OC)nc(c2)C=O)OC	178
+c1cc(ccc1CCNc2nc(nc(CO)c2)Cl)OC	88
+C1(c2ccccc2C(=O)N1CCc3ccc(cc3)CCO)=O	4924
+c1cc(ccc1CCO)Nc2c(N)c(cc(C)n2)C	13
+c1cc(ccc1CCCCCCCC)CCOC(C)=O	165
+c1cc(ccc1CCOC(C)C(=O)O)-c2ccc(cc2)Cl	3
+c1cc(ccc1CCOc2ccccc2C(=O)O)OCC(=O)N(CC)Cc3ccccc3F	1
+O=S(=O)(Oc1ccc(cc1)OCCc2ccc(cc2)CC(C(O)=O)OCC)C	3
+c1cc(ccc1CCc2c[nH]c(C(O)=O)c2)Cl	6
+c1cc(ccc1CCc2n[nH]c(C(O)=O)c2)OC	6
+c12ccc(cc1C(c3c(ccc(c3)F)CC2)=O)F	358
+c1cc(ccc1C=O)CCc2n3cncc3ccc2	39
+C1CN(CCN1C(=O)C)c2ccc(nc2)CCc3ccc(cc3)CN	18
+c1cc(ccc1CCc2oc3c(c(c(cc3)CCC)O)c2C)OC	732
+c1cc(ccc1CCc2oc3cccc(O)c3c2C)OC	173
+c1cc(ccc1CCc2oc3c(c(c(cc3)CC=C)O)c2C)OC	423
+c1cc(ccc1CN2C=CC=CC2=O)Cc3c(cc(C(OCC)=O)n3CC)C	10946
+c1cc(ccc1OC)COc2c(cc(C=O)cc2)OCc3ccc(cc3)Cl	139
+c1cc(ccc1CN(C(=O)CCCC)c2ccccc2)-c3ccccc3C(=O)O	1
+c1cc(ccc1)C(N(Cc2ccc(cc2)C(=O)O)S(=O)(=O)c3ccc(cc3)Cl)CC	1
+c1cc(ccc1Cl)-c2c([nH]c(n2)-c3ccc(cc3)CN(C)C)C(OCC)=O	10947
+c1cc(ccc1CN(C)C)CN	524
+c1cc(ccc1CN(C)C)N	0
+c1cc(ccc1CN(CC)C(=O)COc2ccc(cc2)CCSc3ccccc3C(=O)O)Cl	1
+c1cc(ccc1C#Cc2ccc(cc2)OC)CN(c3ccc(c(c3)C(O)=O)O)CCCCCC	10948
+CCCN(CCC)CCCCN(CCC(OC)=O)Cc1ccc(cc1)CN(Cc2n(ccn2)C)Cc3[nH]ccn3	566
+FC(F)(F)c1c(OCC)nc(N)cc1	10949
+c1ccccc1CCCNc2ccc3ncc(-c4ccc(cc4)CN)n3n2	1414
+c1cc(ccc1F)CNC(c2sc(nc2C)-c3ccn(n3)CCc4ccc(cc4)F)=O	454
+c1ccccc1CN(Cc2ccccc2)C(C(=O)NCc3ccc(cc3)F)COC(F)F	9
+c1cc(ccc1CNc2nc(OCCCCN3CCc4c(cccc4)C3)ccc2)OC	70
+c1cc(ccc1OC)CNc2c(cccn2)-c3ncsc3-c4cccnc4Cl	70
+c1ccccc1Nc2nn(cn2)-c3ccnc(NCc4ccc(cc4)OC)c3	70
+c1cc(ccc1CNc2cc(nc(I)n2)Cl)OC	40
+c1cc(ccc1CNC(=O)c2ccc3c(c(cnc3)Br)n2)OC	81
+c1cc(ccc1CNc2ncc(cc2-c3c(scn3)-c4c(c(ccc4)Cl)Cl)Br)OC	70
+c1cc(ccc1N(C)C)CN2C(C(=C(C2=O)Nc3ccc(cc3)OC)c4ccccc4)=O	10950
+c1cc(ccc1CN2C(C(=C(C=O)C=N2)NC)=O)OC	10951
+c1cc(ccc1)CN2C3(Cc4c(C3)cc(cc4)[N+](=O)[O-])C(NC2=O)=O	10952
+c1cc(ccc1OC)CN2C(N(C)C(N)=C(C2=O)N)=O	721
+c1cc(ccc1CN2C(N(CCC)C(C(O)C)=N2)=O)C	118
+c1cc(ccc1CN2C(N(c3nc(c(C(=O)O)s3)C)C=N2)=O)F	6
+c1cc(ccc1CN2N=CN(c3[nH]nc(C(NCc4cc(F)c(cc4)F)=O)c3)C2=O)F	1613
+c1cc(ccc1OC)CN2C=C3CN(C(=O)C3=C(Cl)C2=O)CCc4ccc5ccccc5n4	10953
+c1cc(ccc1CN2C(C(=C(C(CO)=C2)C(=O)OC)Cl)=O)OC	10954
+c1cc(ccc1OC)CN2CCOCC2C	15
+c1cc(ccc1CN2C(=O)C3(N(C2=O)Cc4ccccc4)Cc5c(cc([N+](=O)[O-])cc5)C3)OC	10955
+n1c(O)c2N(C(C(=Cc2cn1)C(OCC)=O)=O)C	10956
+c1cc(ccc1CN2CC(c3ccccc3C2CC(O)=O)=C)C(=O)Nc4ccccc4N	4
+c1cc(ccc1F)CN2C(N(c3sc(c(C)n3)C(N)=O)CC2C)=O	4328
+c1cc(ccc1C(=O)CN2C(=O)N(C(CCC)=CC2=O)Cc3ccc(cc3)-c4c(C#N)cccc4)OC	10957
+C(c1ccc2c(c1)c(ncn2)O)c3nnc4n3nc(-c5cnccc5)cc4	10958
+c1cc(ccc1CN2C(c3c(ccc(Cc4nnc5ccc(-c6cccnc6)nn45)c3)N=C2)=O)OC	2102
+c1cc(ccc1CN2C3CN(Cc4ccc(cc4)C(=O)OC)C(C2)C3)Oc5ccc(cc5)-c6occn6	48
+c1cc(ccc1CN2C=CC=CC2=O)Cc3c(cc(C(=O)O)n3CC)C	6
+c1cc(ccc1CN2C(c3c(C=C2)c(N)ccc3)=O)F	0
+c1ccccc1C(=O)Nc2ccc(cc2)CN3CC=C(CCC(OC)=O)C3=O	50
+c1cc(ccc1CN2CC=C(CCC(OC)=O)C2=O)N	0
+c1cc(cc(C)c1Oc2cnc(C)cc2)Nc3ncnc4c3C=C(CCN4)C(=O)OC	10959
+c1cc(ccc1)C(c2ccccc2)CNCC3CCN(CC3)Cc4ccc(cc4)Cl	110
+C1CC(CCN1Cc2ccc(cc2)C)=O	86
+c1cc(ccc1CN2CCC(CC2)c3[nH]c(-c4cnc(cc4)O)nn3)-c5c(cc6c(ccnc6O)n5)-c7ccccc7	104
+c1cc(ccc1CN2CCc3c(c(OC)cnc3C(=O)O)C2=O)OC	6
+c1cc(ccc1CN2C(N(c3cc(n(n3)Cc4ccc(cc4)OC)C(=O)O)C=N2)=O)F	1
+c1cc(ccc1CN2c3c(C(=O)N(Cc4ccc(cc4)C(=O)O)C2=O)cccc3)C	1
+c1cc(ccc1CN2c3c(cccc3)N(CCCCCCCC(O)=O)C2=O)Cl	4
+c1cc(ccc1CN2C(=O)C=Cc3ncc(cc23)N4CC(C4)=O)OC	86
+c1cc(ccc1OCc2ccc(cc2)CN=[N+]=[N-])Cl	20
+c1cc(ccc1CNC(=O)C)CN2CCN(CC2)c3ncccn3	171
+c1cc(ccc1CN2CCN(CC2)c3ncccn3)CN	524
+c1cc(ccc1CNC(c2cnc3c(cc(cc3c2O)CCCO)OC)=O)Cl	213
+c1cc(ccc1Cl)CNC(c2sc(nc2C)NC(c3ccncc3)=O)=O	548
+c1cc(ccc1Cl)CNCC	15
+C(C)OC(N1CC(N)C=2N(C(=O)C=C(N=2)c3ccncn3)CC1)=O	2260
+C1COC2(O1)CC(C)(C)C(N)CC2	2260
+c1cc(ccc1F)CN(C(Cc2ccc(cc2)OCC)=O)C3CCN(CC3)C	58
+C1CN(CCC1C(=O)c2ccc(cc2)F)CC(=O)N(Cc3ccc(cc3)F)Cc4nc(c5COCCc5n4)O	10
+c1cc(ccc1CNc2c(cnc(Br)c2)N)OC	13
+c1cc(ccc1OC)CNc2cc(ncc2[N+](=O)[O-])Nc3ncc(C#N)nc3	2785
+s1cnc(c1-c2c(c(Cl)ccc2)Cl)-c3cc(cnc3N)-c4cnccc4	755
+c1cc(ccc1CNc2c3c(cc(Cl)cc3)nc4CCCC(O)c24)F	652
+c1cc(ccc1CNc2c(N)cc(c(F)c2)C(=O)OC)OC	0
+c1cc(ccc1CNc2cc(cc(c2)F)CO)OC	41
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3c4c(CCC3)cc(OCc5ccccc5)cc4)C(C)C	429
+c1cc2CCN(Cc2cc1)CCCCOc3cccc(N)n3	755
+c1cc(ccc1-c2nnc(s2)-c3ccc(cc3)C=O)N4CCC(CC4)(CCCC)OC	39
+c1cc(ccc1CO)CCN2C(=O)C=C(CCc3ccccc3)C=C2	10960
+c1cc(ccc1CO)CCN2C=CC(=CC2=O)OCc3ccccc3	10961
+c1cc(ccc1CO)CCN2C(C=C(O)C=C2)=O	923
+c1cc(ccc1C=O)CNc2ncccc2	39
+c1cc(ccc1Cn2c3nc(NCc4ccncc4)nc(c3nc2)N)CO	96
+c1cc(ccc1NC(=O)c2ccc(Cc3cc(cc4c3oc(C(C)C)c4)Cl)o2)C=O	39
+C1CC(CCC1)N(CC2CC2)c3cc(ncn3)C(=O)Nc4ccc(cc4)C=O	39
+c1cc(ccc1NS(=O)(=O)C)C=O	39
+c1cc(ccc1COCOc2ccc(cc2)Cl)OCCF	433
+O=S(=O)(c1ccc(cc1)C=O)NC	39
+c1cc(ccc1OC)COc2c(c3C(=O)C(=CN(CC)c3cc2OCc4ccc(cc4)OC)C(O)=O)Cl	10962
+c1cc(ccc1COC(=O)N2C(CC(OC(c3ccccc3)=O)C2)C(OCc4ccc(cc4)OC)=O)[N+](=O)[O-]	279
+c1ccccc1C(OC2CN(C(C2)C(=O)O)C(OCc3ccc(cc3)[N+]([O-])=O)=O)=O	2167
+c1cc(ccc1COC(=O)N2CC(O)CC2)[N+]([O-])=O	59
+c1cc(ccc1COC(N2CC(N)CC2)=O)[N+]([O-])=O	18
+c1ccccc1COC(NC(C(C)C)C(=O)OC2CCC(CC2)C(OCc3ccc(cc3)OC)=O)=O	27
+c1cc(ccc1COC(CCCCCCCCCCC)CC(=O)O)OC	4
+C(C(=O)O)CC(C(=O)OCC=C)OC(C)=O	2167
+c1cc(ccc1COC(N2CC(CC2C(O)=O)SCc3ccc(cc3)OC)=O)[N+](=O)[O-]	2543
+n1cccnc1NCC2C(F)CN(C(=O)OCc3ccc(cc3)C)CC2	96
+C1(CC(=O)OCC)Cc2c(Cc3ccccc13)cc(OCCCN)cc2	10963
+c1cc(ccc1COc2c(cc(C=O)cc2)C(=O)O)F	10964
+c1cc(ccc1CCO)COC	21
+c1cc(ccc1COC2=CC(N(c3cc(NC)c(N)cc3)C=C2)=O)Cl	0
+c1cc(ccc1COCCOCCOCCN)OC	18
+c1cc(ccc1Cl)C(c2ccccc2-c3c(onc3CO)C)=O	1974
+c1cc(ccc1COCc2c(c(on2)C)-c3c(C(c4ccc(cc4)Cl)=O)cccc3)OC	335
+c1cc(ccc1COCc2noc(C)c2-c3c(C(c4ccc(cc4)Cl)O)cccc3)OC	704
+c1cc(ccc1COc2c(c(O)c(cc2)C(C)=O)CCC)C(O)c3cc(ccc3)C#N	168
+c1cc(ccc1C=CC(=O)O)COc2c(c(O)c(cc2)C(C)=O)CCC	127
+c1cc(ccc1COc2cccc(c2C(C)=O)N)OC	0
+c1(cc(cc(c1)O)Br)Nc2cccnc2	686
+c1cc(ccc1OC)COc2cc(c(cc2)-c3cc(ccc3F)OC)CO	217
+O=S(=O)(c1cc(cc(O)c1)Br)C	686
+c1cc(ccc1COc2ccc3c(c2)c4c(C(CC(=O)O)CC4)[nH]3)-c5csnn5	3
+c1cc(ccc1COc2ccc3c(c2)c4c(C(CC(=O)O)CC4)[nH]3)-c5nccnc5	3
+c1cc(ccc1COc2c(c(ccc2)[N+]([O-])=O)C(C)=O)OC	155
+c1cc(ccc1COc2c(c(ccc2)N)N)OC	0
+c1cc(ccc1C(=O)c2ccccc2)CP(O)(O)=O	228
+c1cc(ccc1CP(O)(O)=O)OCC2(CCCCC2)C	228
+c1cc(ccc1O)CS(=O)CCn2nncc2	1691
+c1cc(ccc1F)Cc2cc(c(nc2)C#N)Br	10965
+c1cc(ccc1Cc2c3C(=O)N(CCCOC)C(=O)N(C)c3sc2-c4ccc(cc4)Cl)Cl	21
+c1cc(ccc1Cc2c3c(n(c2C)CC(OCC)=O)cccc3)N	0
+c1cc(ccc1Cc2c([nH]nc2C)OC3OC(C(OC(=O)C)C(OC(=O)C)C3OC(C)=O)CO)OC(C)C	59
+c1cc(ccc1OC(C)C)Cc2c(n[nH]c2OC3OC(C(O)C(O)C3OC(=O)C)CO)C	59
+c1cc(ccc1Cc2c(C)nc(N)nc2NCCCCC)CO	168
+c1cc(ccc1Cc2c(C)nc3c(c(CC(O)=O)ccc3Cl)c2C)Cl	4
+c1cc(ccc1)COc2c(Cc3ccc(cc3)CC)ccc(COC(=O)C)c2	22
+c1cc(ccc1Cc2ccccc2OC3C(C(C(C(CO)O3)OC(C)=O)OC(C)=O)OC(=O)C)C(=O)N	59
+c1cc(ccc1Cc2c(cccc2)O)CC#N	16
+c1cc(ccc1Cc2c(C)n[nH]c2OC3OC(C(O)C(C3OC(=O)C)OC(=O)C)CO)OC(C)C	59
+c1cc(ccc1Cc2c(cc(CCCO)c(Br)c2)Cl)OCC	21
+c1cc(ccc1Cc2c(nc3c(ccc(OCC(O)=O)c3c2OC(F)F)F)CC)-n4cccn4	4
+c1cc(ccc1OCCO)Cc2c(nn3c2nc(cc3C)C)CC	95
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)O	5
+c1cc(ccc1Cc2c3C(N(C(N(C)c3sc2-c4ccc(cc4)Cl)=O)CCCO)=O)Cl	88
+c1cc(ccc1Cc2c3c([nH]c4cnc(c(COC)c34)C=O)ccc2)Cl	178
+c1cc(ccc1CCO)Cc2cc(Br)ccc2Cl	59
+c1cc(ccc1C=O)Cc2cc(ccc2Cl)Br	39
+c1cc(ccc1Cc2cc(Br)ccc2Cl)CO	59
+c1cc(ccc1F)Cc2cc3c(c(c(C(OCC)=O)c(O)n3)O)nc2	10966
+c1cc(ccc1Cc2cc(ccc2Cl)Br)O	5
+c1cc(ccc1F)Cc2ccccc2O	562
+c1cc(ccc1N)Cc2cc3CC(Nc3cc2)=O	0
+c1cc(ccc1Cc2ccc(cc2)OCc3ccccc3)C#N	22
+c1cc(ccc1Cc2ccc(cc2)C#N)O	5
+c1cc(ccc1Cc2ccc(cc2)[N+]([O-])=O)CS(=O)(=O)NCc3ccccc3	111
+O=S(=O)(Cc1ccc(cc1)Cc2ccc(cc2)N)NCc3ccccc3	0
+c1cc(ccc1Cc2ccc(cc2)N)F	0
+c1cc(ccc1Cc2ccc(nc2)C(O)=O)O	5
+c1cc(ccc1Cc2c3c([nH]c4cnc(c(c34)COC)CO)ccc2)Cl	194
+c1cc(ccc1Nc2c(cnc3c2cc(cc3)Cl)C=O)Cc4ccccc4	200
+c1cc(ccc1Cc2ccccc2OC3C(OC(C)=O)C(OC(C)=O)C(O)C(O3)CO)C(=O)N	59
+c1cc(ccc1Cc2ccccc2OC3OC(C(O)C(O)C3OC(=O)C)CO)C(N)=O	59
+c1cc(ccc1Cc2c(OC3OC(C(C(O)C3O)O)CO)cccc2)C(N)=O	59
+c1ccccc1COc2ccccc2Cc3ccc(cc3)C(O)=O	1
+c1cc(ccc1C(N)=O)Cc2c(cccc2)O	16
+c1cc(ccc1Cc2c(cccc2)O)SC	16
+c1cc(ccc1O)Cc2n(C)nc(-c3c(cccc3Cl)F)n2	173
+c1ccccc1-c2nc3nnc(Cc4ccc(cc4)F)n3nc2	10967
+C1CCC(C1)c2cc(ccc2O)C(c3c(sc(C)c3C)Cc4ccc(cc4)Br)=O	5
+c1cc(ccc1Cl)-c2c(ncc(C(=O)NC3CCCCC3O)c2)CCCOC	587
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(N(c4ccc(N)c(c4)Cl)S(=O)(=O)C)cc3o2)C5CC5	0
+c1cc(ccc1-c2c3c(C)c(C)[nH]c3nc(C)c2C(=O)C(=O)OC)Cl	10968
+c1cc(ccc1-c2c(C(O)=O)[nH]cc2C)Cl	6
+c1cc(ccc1)Cn2c(C(OCC)=O)c(-c3ccc(cc3)Cl)c(C)c2	3289
+c1cc(ccc1Cl)-c2c3c(nc(Br)s3)cc(C)c2C(O)C(=O)OCC	10969
+c1cc(ccc1)C=Cc2onc(-c3ccc(cc3)Cl)c2C(OCC)=O	10970
+c1cc(ccc1Cl)S(=O)(=O)C(C#N)=Cc2c([nH]c3ccccc23)-c4ccc(cc4)Cl	10971
+C1CC1c2nn3C(c4ccc(cc4)F)=CC(=O)Nc3c2-c5ccc(cc5)Cl	2950
+OB(O)c1c(ccc(c1)-c2ccc(cc2)Cl)Br	493
+c1cc(ccc1-c2cc(c(C)n2-c3ccc(cc3)Cl)C(=O)O)Cl	6
+c1cc(ccc1-c2cc(c(CC)cc2)N)Cl	0
+c1cc(ccc1Cl)-c2cc(CO)cnc2	295
+c1cc(ccc1-c2cc(C(=O)O)cnc2Cl)Cl	1
+c1cc(ccc1-c2ccc(cc2)CCO)Cl	21
+Clc1ccc2c3c([nH]c2c1)cccc3	1223
+c1cc(ccc1Cl)-c2cncc(c2)COc3ccc(c(c3)C)CCCCn4ccnn4	751
+c1cc(ccc1-c2ccc(C#N)cn2)Cl	1372
+c1cc(ccc1-c2nc(CO)sn2)Cl	4715
+c1cc(ccc1Cl)-c2oc(-c3ccc(N)c(N)c3)nn2	0
+c1cc(ccc1-c2c3c(cccc3)c(Nc4ccc(cc4)Sc5c6c(ncc5)cccn6)nn2)Cl	1443
+c1cc(ccc1Cl)-c2oc(-c3cscc3)c(CC(O)=O)n2	3
+c1cc(ccc1Cl)-c2oc3c(Cn4c(C)cc(n4)C(O)=O)cc(Cl)cc3c2	6
+c1ccccc1COc2c(cc(N(S(=O)(=O)C)c3c(cc4c(C(NC)=O)c(oc4c3)-c5ccc(cc5)Cl)C6CC6)cc2)F	4974
+c1cc(ccc1-c2c(C#N)c(nc(SCc3coc(n3)-c4ccc(cc4)Cl)c2C#N)N)OCC(CO)O	265
+O=C1C=CC(=O)C1c2cc(-c3ccc(cc3)Cl)sc2CC	10972
+c1cc(ccc1-c2scc(n2)CSc3c(c(c(c(N)n3)C#N)-c4ccccc4)C#N)Cl	2837
+C1CC(CCC1)C(c2n(nc3c2cccc3)-c4ccc(cc4)Cl)CO	647
+c1cc(ccc1Cl)-n2c(C(COc3c(cc(cc3C)C(O)=O)C)C4CCCCC4)c5ccccc5n2	1
+c1cc(ccc1Cl)-n2c(c(nc2CC(O)=O)Br)-c3c(cccc3F)F	4
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(=O)Nc4ccc(cc4F)C(O)=O)C5CCCCC5	6
+c1cc(ccc1Cl)-n2nc3CCCCc3c2C(C(Nc4c(F)cc(cc4)OC5(CC5)C(O)=O)=O)C6CCCCC6	4
+c1cc(ccc1C(C2CC2)=C(F)CO)Cl	4313
+c1cc(ccc1Cl)C(Br)=CC2C(C2(C)C)C(=O)O	3
+c1cc(ccc1-c2oc(nc2-c3ccc(cc3)Cl)CCCCCC(C)C#N)Cl	10973
+c1cc(ccc1Cl)-c2cc(C(OCC)=O)c(C)n2-c3ccc(cc3)Cl	4591
+c1cc(ccc1Cl)-n2c(C)ccc2-c3ccc(cc3)Cl	2387
+c1cc(ccc1Cl)-c2oc(-c3cscc3)c(CC(OCC)=O)n2	10974
+c1cc(ccc1Br)NC(CN)c2ccc(cc2)Cl	51
+c1cc(ccc1Cl)-c2nc3n(cc(cc3)Br)c2	440
+c1cc(ccc1C(c2c3cccc(CSCC)c3[nH]c2)CCO)Cl	44
+c1cc(ccc1Cl)C(NCCNc2ncc(cc2Cl)C=CC(=O)O)=O	108
+c1cc(ccc1Cl)-c2nnc(-c3cc(c(cc3)N)[N+]([O-])=O)o2	1782
+c1cc(ccc1-c2nnc(-c3ccc(c(O)c3)C)o2)Cl	1782
+c1cc(ccc1Cl)C(Nc2ccc(cc2)Cc3c(n(c4ccccc34)CC(=O)O)C)=O	3
+c1cc(ccc1Cl)C(Nc2ccc(cc2)Cn3nc(CC(O)=O)c4ccccc34)=O	3
+c1cc(ccc1)CN2CCC(CC2)OC(c3ccccc3Cl)c4ccc(cc4)Cl	3938
+c1cc(ccc1C(c2ccc(cc2)Cl)c3ccc4nccc(C=Cc5ccccc5)c4c3)Cl	4253
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4c(c(ncn4)NC5CCN(CC5)Cc6cc(ccc6)C(OC)=O)c3	131
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3cc4c(cc3)ncnc4NC5CCNCC5	2
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4c(c(ncn4)NC5CCN(CC5)Cc6cc(ccc6)C(=O)O)c3	1
+c1cc(ccc1Cl)C(c2ccc(cc2)Cl)c3ccc4ncnc(NC5CCN(CC5)c6ccc(cc6)CC(=O)O)c4c3	4
+c1cc(ccc1Cl)C2(CC2)C(N3CC(S(=O)(=O)c4ccccc4Cl)CC3C(O)=O)=O	4
+c1cc(ccc1Cl)C2(CC2)C(N3CCC(=O)C3)=O	86
+c1cc(ccc1)C2COC(=O)N2C(CSCC3(OCC(C)(C)CO3)c4ccc(cc4)Cl)=O	2912
+c1cc(ccc1Cl)C2(OCC(C)(C)CO2)CSCC(=O)O	3
+c1cc(ccc1Cl)-c2cc(nnc2-c3ccccc3Cl)O	10975
+c1cc(ccc1C2=NC3(CCNCC3)C(=O)Nc4ccc(cc24)Cl)Cl	25
+c1cc(ccc1Cl)C2CCc3c2cc(C(=O)O)[nH]3	1
+c1ccccc1C2Cc3c(cnc(N)n3)C(C2)=O	992
+c1cc(ccc1Cl)C2=C(C=3N(C=C2)C(=O)N(Cc4ccc(cc4)S(=O)(=O)C)N=3)c5ccncc5	10976
+c1cc(ccc1-c2ccc(O)nn2)Cl	2566
+c1cc(ccc1-c2cc3c([nH]2)cc(C(OC)=O)s3)Cl	10977
+c1cc(ccc1N(CCN2C(=O)c3cc(C(OC)=O)ccc3C=C2)Cc4ccc(cc4)Cl)OC	3043
+c1cc(ccc1CNc2ncc(Br)cc2)Cl	811
+c1cc(ccc1)SC2(CC2)C(C=Cc3ccc(cc3)Cl)=O	964
+c1ccccc1C(c2ccc(cc2)Cl)O	704
+c1cc(ccc1CCc2c[nH]c(C(=O)OCC)c2)Cl	1283
+c1cc(ccc1Cc2nc(ccc2)C#N)Cl	1304
+c1cc(ccc1CCCCN2C(CCC2)CN3C(=O)c4c(C(Cc5ccc(cc5)Cl)=N3)cccc4)OC	123
+c1cc(ccc1CCC(C(C)(C)C(C)C)=C)Cl	2114
+c1cc(ccc1Cl)C(NC(CNC(CCc2ccc(cc2)Cl)=O)=O)c3ccccc3	9
+c1cc(ccc1Cl)CCNCCCNC(Nc2ccccc2)=O	132
+c1cc(ccc1CCN(CCc2ccc(cc2)Cl)CCCNC(Nc3ccccc3)=O)Cl	28
+c1cc(ccc1CNC(=O)c2c(O)c3c(nc2)ccc(I)c3)Cl	1556
+c1cc(ccc1Cl)CN2C(C(OC)=NN(C2=O)c3cc(ccc3)N)=O	106
+c1cc(ccc1Cl)CNC(C=2C(=O)c3c(sc(CN(C)CC(c4cnccn4)O)c3)N(CC)C=2)=O	822
+n1cccnc1C(O)CN(Cc2cc3C(=O)C(C(NCc4ccc(cc4)Cl)=O)=CN(c3s2)C)C	822
+c1cc(ccc1CN(CC)C(=O)COc2ccc(cc2)CCSc3c(cccc3)C(OC)=O)Cl	10
+c1cc(ccc1Cc2c(C#N)c(-c3cc(NC(=O)C)ncc3)sc2C(=O)O)Cl	6
+c1cc(ccc1Cl)Cc2c(c(-c3ccnc(c3)N)sc2-c4nnc[nH]4)C#N	1670
+c1cc(ccc1Cl)Cc2c3c(n(c2Br)CCCC=O)cccc3	578
+c1cc(ccc1Cl)Cn2c3c(cc2CC(C)(C)C(OC)=O)cc(OCc4ccc5occc5n4)cc3	951
+CC(C)(Cc1n(c2c(c1)cc(OCc3ccc4occc4n3)cc2)Cc5ccc(cc5)Cl)C(O)=O	4
+c1cc(ccc1Cl)N2CCN(CC2)c3c(-c4ccc(cc4)N(C)C)nc(OC)cc3	244
+c1cc(ccc1CC(=O)N2C(CCC2)C(=O)Nc3ccc(cc3)Cl)N4CCOCC4=O	348
+c1cc(ccc1Cl)NC2(CCNCC2)C#N	25
+c1cc(ccc1Cl)NC2c3cc(ccc3N(C(C)=O)C(C)C2)-c4ccc(cc4)C(=O)O	6
+c1cc(ccc1Cl)NS(=O)(=O)c2ccc(OC)c3CC(NC)COc23	1925
+c1cc(ccc1Cl)OC(C(OC)=O)c2ccc(cc2)Oc3ccc(cc3)Cl	2486
+c1cc(ccc1Cl)Oc2ccc(nn2)Cl	1119
+c1cc(ccc1Cl)Oc2c3c(c(CC(=O)O)c(C)n2)cccc3	136
+C1CCCN1CCOc2ccc(cc2)C#Cc3ncc(cc3)-c4ccc(cc4)Cl	2056
+c1cc(ccc1Oc2ccc(cc2)Cl)C(Oc3ccc(cc3)Cl)C(=O)O	4
+c1cc(ccc1Oc2c(C)[nH]c3c2cc(F)cc3)Cl	3122
+c1cc(ccc1Oc2c([nH]c3ccc(SC)cc23)C)Cl	3122
+c1cc(ccc1OCC(O)=O)Cl	3
+Clc1ccc2occc2c1	4487
+c1cc(ccc1Cl)Oc2c3cc(F)ccc3n(CC(O)=O)c2C	3
+c1cc(ccc1Cl)Oc2cccc(CN)c2	107
+c1cc(ccc1Cl)Oc2cc(c(cc2)-c3coc4c3cc(OC)cc4)CCC	10978
+c1cc(ccc1Cl)Oc2cc(c(cc2)-c3c4cc(O)ccc4oc3)CCC	5
+c1cc(ccc1Cl)Oc2cc(CCC)c(C(=O)COc3ccc(cc3)OC)cc2	702
+c1cc(ccc1S(=O)(=O)N(C)C(C(OC)=O)=C)Cl	10979
+c1cc(ccc1S(=O)(=O)NC2C(COC)CCCCC2)Cl	21
+Clc1cc2c(cc1)scc2CC	3148
+c1cc(ccc1Cl)Sc2c(n(CC(OCC)=O)c3cccc(c23)N)C	0
+c1cc(ccc1Sc2cccc3c2NC(C3)=O)Cl	1290
+c1cc(ccc1Sc2c(N)cccc2)Cl	0
+c1cc(ccc1Cn2c(cc(NCc3ccccc3)c2)C(=O)C)F	3118
+c1cc(ccc1Cn2c(C(=O)C)cc(c2)N)F	13
+c1cc(ccc1CN2N=CN(C2=O)c3cc(n(Cc4ccc(cc4)OC)n3)C(OC)=O)F	1712
+c1cc(ccc1Cn2c(-c3ccc(Cl)c(c3)C)cc(C(=O)O)n2)C	1
+c1cc(ccc1-c2ccccc2-c3[nH]nnn3)Cn4c(nc5cccc(C(=O)O)c45)OCC	6
+c1cc(ccc1Cn2c3cccc(O)c3c4cccc(C)c24)F	2302
+c1cc(ccc1OCc2ccccc2)Cn3c4c(cc3CNC)cccc4	729
+Fc1c(Oc2c3c(n[nH]2)cccc3)cccc1	10980
+c1cc(ccc1Cn2c(SCC)nc3cccc(c23)C(=O)O)-c4ccccc4-c5[nH]nnn5	6
+c1cc(ccc1Cn2c(c(CC(C)CC(=S)N)c3c2ccc(OC)c3)C)Br	199
+c1cc(ccc1Cn2c3ccc(OC)cc3c(CC(CC(=O)O)C)c2C)Br	3
+c1cc(ccc1O)Cn2c3nc(nc(N)c3nc2OC)OCCCC	16
+c1cc(ccc1OCc2ccccc2)Cn3cc(-c4ccccc4)c(c3)CO	295
+C1CN(CCC1)c2c(-c3cn[nH]c3)nc(Nc4ccccn4)s2	1613
+CCOC(c1c2c(c(Cl)nc1)cc[nH]2)=O	10981
+c1cc(ccc1Cn2nnc(n2)-c3cc(ccc3)CO)OC	1146
+c1cc(ccc1Cn2c3c(cccc3)c(Oc4c(F)cccc4)n2)OC	480
+c1ccccc1-c2scc(COc3ccc(cc3)Cn4cc(c(OCC)n4)CCC(O)=O)n2	3
+c1cc(ccc1N)Cn2nc(c3ccccc23)CC(=O)OCC	0
+c1cc(ccc1Cn2nc(Oc3ccc(cc3F)N)c4ccccc24)OC	0
+c1cc(ccc1Cn2nc(-c3cccc(c3)C(O)=O)nn2)OC	1
+c1cc(ccc1Cn2c3c(ccc(C=C)c3)cn2)OC	10982
+c1cc(ccc1F)-c2nc([nH]c2C=O)CCCC	614
+c1cc(ccn1)-c2c(-c3ccc(cc3)F)[nH]cc2	10983
+O=S(=O)(c1ccccc1)Nc2c(Br)cc3c(C(=O)OC)c(-c4ccc(cc4)F)oc3c2	69
+c1cc(ccc1-c2c(c(nc3ccc(cc23)Br)C)C(C)O)F	652
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(-c4cc(ccc4)C(NC(C)(C)C(O)=O)=O)c3)o2	4
+c1cc(ccc1F)-c2nn3c(ccc(OC)c3)c2Cc4cccc(n4)C(=O)OC	10984
+c1cc(ccc1-c2c(c(CO)on2)COc3ccc(C(=O)OC)cn3)F	3155
+c1cc(ccc1-c2c(nc3n(ccn3)c2)Cl)F	10985
+c1cc(ccc1F)-c2cc(c3c(c2Cl)c(O)ncn3)O	390
+c1cc(ccc1F)-c2oc3cc(c4OC(C)Cc4c3c2C(O)=O)NS(=O)(=O)C	1
+c1cc(ccc1F)-c2c(c3c(o2)ccc(-c4c(C)ccc(C(O)=O)c4)c3)C(=O)NC	1
+C1CCCCC1n2ncc(C(=S)N)c2-c3ccc(cc3)F	4277
+c1cc(ccc1F)-c2c(n(nn2)C)C#Cc3ncc(cc3)C(=O)O	1
+C1CCCCN1c2ccc3c(c2)c(c(c(C)n3)CO)-c4ccc(cc4)F	295
+c1cc(ccc1F)-c2c3c(ncnc3sc2)OCCCOc4cc(ccc4)N	0
+c1cc(ccc1-c2cccn3c2nc(N)n3)F	982
+c1ccccc1CN2C(c3cc(nn3CC2)-c4ccc(cc4)F)=O	10986
+c1cc(ccc1F)-c2cc(CNc3c(N)cnc4cccnc34)on2	13
+c1cc(ccc1-c2nnc(O)c(O)c2)F	390
+c1cc(ccc1-c2c(C(O)=O)ccc(OC)c2)F	1
+c1cc(ccc1-c2cc(nn2-c3cnc(OC)cc3)C(O)=O)F	6
+c1cc(ccc1F)C(=O)C=C(N)C	10987
+c1cc(ccc1F)-c2cc(no2)C(=O)NCCC(O)=O	4
+c1cc(ccc1F)-c2cc(no2)C(NCCCC(=O)O)=O	4
+c1cc(ccc1F)-c2cc(on2)CNc3c4ccccc4nc(Cl)c3N	13
+c1cc(ccc1F)-c2ccc(COc3cc(c(cc3)CCCCn4nncc4)C)c(C)n2	751
+c1cc(ccc1F)-c2ccc(cc2)C(N(C)C3CCc4c(ccc(CN)c4)C3)=O	107
+c1cc(ccc1F)-c2csc3ncnc(CCCCOc4cc(C(OC)=O)cnc4)c23	1286
+c1cc(ccc1F)-c2n3ccc(C=O)cc3cc2C(OCC)=O	39
+c1cc(ccc1F)-c2nc(c(o2)CC(C)C)CC(O)=O	3
+c1cc(ccc1F)-c2nc(C)c(cc2)CO	351
+c1cc(ccc1F)-c2cn3c(sc(C(O)=O)c3C)n2	6
+c1cc(ccc1F)-c2nc3ncccn3c2C(Nc4ccc(cc4)Cl)=O	466
+c1cc(ccc1-c2nc3n(cc(cc3)Br)c2C(=O)O)F	6
+c1ccccc1C#Cc2ccc3c(c(-c4ccc(cc4)F)nn3C5OCCCC5)c2	455
+c1cc(ccc1F)-c2c(Cc3cccc(C(O)=O)n3)c4n(n2)cc(cc4)OC	1
+c1cc(ccc1F)-c2cc(c(O)nn2)OC	104
+c1cc(ccc1F)-c2c(n(nn2)C)C#Cc3ncc(C(OC)=O)cc3	943
+c1cc(ccc1)C=Cc2c(COc3ccc(C(=O)OC)cn3)c(no2)-c4ccc(cc4)F	91
+c1cc(ccc1F)-c2oc3c(c2C(OC)=O)c4CC(C)Oc4c(c3)N	0
+c1cc(ccc1F)-c2c(C(=O)OC)c3cc(Br)c(N)cc3o2	0
+c1cc(ccc1F)-c2ncc(C3(CCCc4cnccc34)O)s2	5089
+c1cc(ccc1F)-n2c(ncn2)-c3ccc(cc3)N	0
+c1cc(ccc1-n2c(SCc3c(ccc(F)c3F)F)ncc2C=O)F	5090
+c1cc(ccc1F)-n2c(ncc2C(C)(C)c3cc(c(cc3)Cl)OC)CCc4c(cc(cc4Cl)C(=O)O)F	6
+c1cc(ccc1-n2c(C=O)c(c(n2)C(OC)=O)C(C)C)F	178
+c1cc(ccc1F)-n2c(COc3cnc(C(=O)O)cn3)c(C)nn2	1
+c1cc(ccc1F)-n2ncc(C(=O)c3cccc(c3)N)c2N	0
+c1cc(ccc1F)-n2nnc(C)c2COc3ncc(cc3)C(=O)OC	91
+c1cc(ccc1F)-n2c(COc3cnc(C(=O)OC)cn3)c(C)nn2	799
+c1cc(ccc1F)-n2ccc3c2ccc(O)c3	16
+c1ccccc1COC(=O)N2CCC(CC2C(=O)N)C(CC)NC(=O)c3c4cnn(c4cnc3)-c5ccc(cc5)F	56
+c1cc(ccc1F)-n2ncc(C(O)=O)c2N	6
+c1cc(ccc1F)-n2c3cncc(C(=O)O)c3cn2	6
+c1cc(ccc1)C(c2cc3c(n(-c4ccc(cc4)F)nc3)cc2)C(C)(C)C(O)=O	4
+c1cc(ccc1)C(Oc2c(cc3n(-c4ccc(cc4)F)ncc3c2)C)C(C)N	669
+c1cc(ccc1F)-n2ncc3cc(c(C)cc23)OC(C(C)NC(CO)=O)c4cccc(OC)c4	948
+c1cc(ccc1F)-n2c(c(nn2)C)CO	1125
+c1cc(ccc1F)-n2nnc(C)c2COc3ccc(cn3)C(=O)O	1
+c1cc(ccc1OC)CN2N=C(CO)C=C(c3ccc(cc3)F)C2=O	10988
+c1cc(ccc1-c2ncc(cc2)C(=O)N)F	140
+c1cc(ccc1C=2C=NN(Cc3ccccc3)C(=O)C=2)F	10989
+c1cc(ccc1F)-c2nc3c(nc(N)nc3cc2)O	691
+c1cc(ccc1-c2n3nc(ccc3nc2-c4cc(c(cc4)C)[N+]([O-])=O)OC)F	1414
+n1cc(cnc1C(NC2CN(c3nccn4cccc34)CC2)=O)-c5ccc(cc5)F	537
+n1cc(cnc1Cl)-c2ccc(cc2)F	537
+c1cc(ccc1F)-c2c3c(ncc(C(=O)N)c3)cnc2	1151
+c1cc(ccc1-c2n(cnc2-c3nccc(C#N)c3)CCc4c(Cl)cccc4)F	1234
+c1ccccc1COc2nn3CCN(c4ccc(cc4)F)C(c3c2)=O	1464
+c1cc(ccc1F)-n2c3c(cc2)cc(cc3)OCc4ccccc4	3371
+c1cc(ccc1C#Cc2cc3c(N=C(c4cc(ccc4)-n5ccnc5)CC(=O)N3)cc2)F	1222
+C1CC(CCN1C)C(O)c2ccc(cc2)F	74
+c1cc(ccc1F)C(C2CCN(CC2)CC(=O)NCc3nc(c4COCCc4n3)O)=O	9
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(=O)N(C(CC)C)Cc3nc4c(c(O)n3)COCC4	10
+c1cc(ccc1F)C(=O)C2CCN(CC2)CCCCN3C(=O)c4ccc(N)cc4NC3=O	0
+c1ccccc1S(=O)(=O)N2CCC(CC2)C(c3ccc(cc3)F)=O	92
+c1cc(ccc1F)Nc2nc(-c3ccc(cc3)F)cs2	354
+c1cc(ccc1F)-c2cc(nn2-c3ccc(nc3)OC)C(OCC)=O	10990
+c1cc(ccc1F)C(=O)N(Cc2c(OCCCCCC(=O)O)cccc2)C(C)C	3
+c1cc(ccc1C(N2CCCC(C2)c3nc(-c4ncc(cc4)F)on3)=O)F	10991
+c1cc(ccc1)Cc2nc(C3CN(CCC3)C(=O)c4ccc(cc4)F)no2	4097
+c1cc(ccc1C(c2c(nccc2)C(=O)OC)=O)-n3ccnc3	431
+c1cc(ccc1F)C(C)(C)CCC=O	378
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(O)=O	3
+c1cc(ccc1C(CNC)O)F	25
+c1cc(ccc1F)C(N2CCN(CC2)C(C)C)CN3CCN(CC3)CCCc4c(cccc4)-c5ccccc5	15
+c1cc(ccc1F)C(CN2CCN(CC2)C(CCc3c(-c4ccccc4)cccc3)=O)N5CCN(CC5)C(C)C	10
+C1CN(CCN1C(C)C)C(c2ccc(cc2)F)CN3CCN(CC3)CC=Cc4c(cccc4)-c5ccccc5	1863
+c1cc(ccc1F)C(CN2CCNCC2)N3CCN(CC3)C(C)C	215
+c1cc(ccc1C(Nc2nc(c(F)cc2CN)Nc3[nH]nc(c3)C4CC4)C)F	388
+c1cc(ccc1C(C)Nc2c(cc(c(n2)Nc3cc([nH]n3)C)F)N)F	13
+c1cc(ccc1C(Cc2c(ccc(-c3sccc3)c2)OC)=O)F	155
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCN(CC3)Cc4ccccc4	5059
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(C(=O)O)C#N	108
+c1cc(ccc1C(c2ccc(cc2)F)=C(n3cnnn3)C(=O)O)F	108
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(n3nnnc3)C=CC(O)CC(O)CC(=O)OCC	770
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCNCC3	25
+c1cc(ccc1C(c2ccc(cc2)F)CC(OCC)=O)F	5053
+c1cc(ccc1F)C(c2ccc(cc2)F)CCN(CCc3ncccn3)Cc4ccccc4	61
+c1cc(ccc1C(c2ccc(cc2)F)CCNCCc3ncccn3)F	25
+c1cc(ccc1F)C(c2ccc(cc2)F)CC=O	24
+c1cc(ccc1F)C(O)c2ccc(cc2Cl)Cl	488
+C1CC(CCC1(c2ccc(cc2)F)CO)=O	21
+c1cc(ccc1F)C2(CCCCC2)CCC(=O)O	3
+c1cc(ccc1F)C2(c3ccc(cc3)F)C(N(CC2)CC(O)=O)=O	3
+c1cc(ccc1C2CC(NC(C)=C2C(O)=O)=O)F	127
+c1cc(ccc1F)C2CCC(C#N)N2S(=O)(=O)c3ccc(cc3)C	143
+C1CC(CCC1c2ccc(cc2)F)=O	97
+c1cc(ccc1C2c3c(CC2)c(N4CC(F)(F)C4)nc(Nc5ccc(-n6cnc(Cl)n6)c(OC)c5)n3)F	55
+c1cc(ccc1F)COc2ccc(cc2)O	22
+c1cc(ccc1CC2CCCN(c3sc(C(NCc4ccccc4)=O)c(C)n3)C2=O)F	1554
+c1cc(ccc1Cc2ccco2)F	2233
+c1cc(ccc1Cn2c3cc(Br)ncc3cc2-c4cnn(c4)C)F	190
+c1cc(ccc1CNCc2nc(c3c(CCOC3)n2)O)F	370
+c1cc(ccc1F)CC(C(O)=O)c2cc(ccc2)S(=O)(=O)C	4
+c1cc(ccc1CC(C)(C)C(=O)O)F	3
+c1ccccc1C(c2ccccc2)(C(=O)N)CCC(C)(C)N(C)CCc3ccc(cc3)F	28
+c12cc(ccc1CCCC2=O)F	214
+c1cc(ccc1F)CCN2CC(CN)C(C)CC2	18
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4ccc(cc34)C(c5ccccn5)O	3059
+c1cc(ccc1F)CCN2CCC(CC2)N3c4cc(C#N)ccc4CC3	1308
+c1cc(ccc1F)CCN2CCC(CC2)N3c4c(CC3)ccc(Cc5ccccn5)c4	3156
+c1cc(ccc1F)CCN2CCC(CC2)n3c4cc(C#N)ccc4cc3	5091
+c1cc(ccc1F)CCN2CCC(CC2)N3c4c(ccc(C(O)C)c4)CC3	74
+c1cc(ccc1F)CCc2ccc(C(O)=O)cc2C(OC)=O	1
+c1cc(ccc1F)CCc2ccc(cc2C(OC)=O)CO	49
+c1cc(ccc1F)CCn2nc(cc2)-c3sc(c(C)n3)C(O)=O	6
+c1cc(ccc1CN(C(=O)CC(=O)C(=O)O)OC)F	10992
+c12cc(ccc1cncc2)F	10993
+c1c2c(ccc1)CC(C2)NC(=O)c3sc(N4CCN(Cc5ccc(cc5)F)C4=O)cc3C	227
+c1cc(ccc1F)CN2C(N(CC2)c3nc(c(s3)C(O)=O)C)=O	6
+c1cc(ccc1F)CN2C(N(c3sc(c(C)n3)C(O)=O)CC2C)=O	6
+c1cc(ccc1F)CN2CC(N(C(=O)COc3ccc(Cl)cc3C(O)CCC(O)=O)CC2C)C	74
+c1cc(ccc1F)CN2CC(C)N(CC2C)C(COc3c(cc(cc3)Cl)C(CCC(O)=O)=O)=O	3
+c1cc(ccc1F)CN2CC(N(CC2C)C(COc3c(cc(Cl)cc3)CC(O)=O)=O)C	3
+C1CC(CCN1Cc2ccc(cc2)F)CCN	45
+c1cc(ccc1F)CN2CCC(CC2)CCN3C(c4ccccc4C3=O)=O	332
+c1cc(ccc1F)CN2C(=O)N(CC2)c3cc(c(C(=O)O)s3)C	6
+c1ccccc1COc2c(ncc(c2O)C(NCc3ccc(cc3)F)=O)C=O	178
+c1cc(ccc1F)CNC(=O)C2=C(C(N(C)C(=N2)C(C)(C)N)=O)O	102
+c1cc(ccc1F)COc2cc(O)ncc2	3045
+c1cc(ccc1F)COCC2COCc3nc4c(c5ccccc5nc4N)n23	445
+c1cc(ccc1F)COc2cc(F)c(N)cc2	0
+c1cc(ccc1Cc2cnc(C#N)c(Nc3ccc(cc3)F)c2)F	1674
+c1cc(ccc1F)Cc2noc(C=3N=C(N(C)C(C=3O)=O)C4CCCC4)n2	3849
+c1cc(ccc1F)Cn2c3c(c4ccccc24)CC5CNC(=O)N5C3	10994
+c1cc(ccc1)CN2CC(N3CCC(CC3)Nc4n(c5c(cccc5)n4)Cc6ccc(cc6)F)CCC2	85
+c1cc(ccc1F)N2C(c3c(N=C2CN)cccc3)=O	102
+c1cc(ccc1F)N2C(N(C=C(C(=O)Nc3ccc(cc3)Oc4ccnc5cc(OC)cc(c45)OC)C2=O)CC)=O	10995
+c1cc(ccc1N2CC(C)(C)NCC2)F	25
+C1CN(CCN1c2ccc(cc2)F)c3c(-c4ccc(cc4)N(C)C)nc(OC)cc3	244
+c1cc(ccc1F)N2CCN(CC2)C(=O)Oc3ccc(cc3)[N+]([O-])=O	66
+c1cc(ccc1F)NC(=O)Nc2ccc(cc2)Oc3ncnc4[nH]c(C(=O)OCC)cc34	124
+c1cc(ccc1F)NC(=O)Nc2c(cccc2)N	124
+c1cc(ccc1F)NC(=O)Nc2ccc(cc2)Oc3ncnc4c3cc(CO)[nH]4	194
+c1cc(ccc1F)NC(=O)Nc2ccc(cc2)Oc3ncnc4[nH]c(cc34)C=O	178
+c1cc(ccc1F)NC(c2c(Cl)cccc2N)=O	0
+c1cc(ccc1)CCOC(=O)COc2ccc(C(=O)Nc3ccc(cc3)F)cn2	10996
+c1cc(cc2C(=O)C(=O)Nc12)F	1418
+c1cc(ccc1F)NC(=O)CCN2CCNCC2	25
+c1c(cc2c3C(NCCc3[nH]c2c1)=O)F	10997
+c1cc(ccc1F)-n2c3c(cn2)C4CC3CN(Cc5ccccc5)C4	10998
+c1cc(ccc1F)Nc2ncnc3cc(OC)c(O)cc23	173
+c12[nH]c3c(c1ccc(F)c2)cc(F)cc3	10999
+c1cc(ccc1CC(Oc2ccc(cc2)F)C(O)=O)OCCON=C(c3ccc(cc3)-c4ccc(cc4)F)C	3
+c1cc(ccc1O)CC(Oc2ccc(cc2)F)C(OCC)=O	16
+c1cc(ccc1F)OC(NC(C(C)C)C(=O)NC(COc2ccc(cc2)C#N)C)=O	9
+c1cc(ccc1F)OCC=O	571
+c1cc(ccc1OCCC(CCC=C)C(=O)OCC)F	2283
+c1cc(ccc1F)Oc2c(Nc3ccc(C#N)cn3)ncc(Sc4ncccn4)c2	346
+c1cc(ccc1F)Oc2ccc(cc2)CCNc3ncc(c(O)n3)Cc4cnc(nc4)OC	785
+c1cc(ccc1F)Oc2c(N)c(ccc2)C(=O)O	1
+O=S(=O)(N1C(C(O)=O)CN(CC1)C)c2ccc(cc2)F	3
+c1cc(ccc1F)S(=O)(=O)c2c(Cn3c4c(c(c3C)CC(O)=O)ccc(F)c4)cccc2	3
+c1cc(ccc1F)Sc2c(C=O)c(ccc2)F	39
+c1cc(ccc1F)Sc2cccc(F)c2CO	611
+c1cc(ccc1[N+]([O-])=O)Oc2ccc(cc2)-c3occn3	46
+c1cc(ccc1[N+]([O-])=O)N2CC3CCC(COc4ccc(cc4)F)CN3CC2	34
+c1cc(ccc1)-c2c(c(on2)C)-c3cn(c(COCc4ccccc4)n3)-c5ccc(cc5)[N+](=O)[O-]	431
+c1cc(ccc1I)-n2cnc(c2)CN	18
+c1cc(ccc1Br)C#Cc2ccccc2	129
+c1cc(ccc1I)-c2noc(C)n2	4203
+c1cc(ccc1-c2oc(nn2)-c3cccc(OC)c3)I	1782
+c1cc(ccc1Cl)C#Cc2ccc(c(C#N)n2)N	129
+c1cc(ccc1Cl)N2CCc3n(-c4c2cccc4F)c(nn3)C	2335
+c1cc(ccc1I)N2C=CC=CC2=O	3044
+c1cc(ccc1I)-n2cnc(CO)c2	1444
+c1cc(ccc1-n2cc(CO)nc2)N3C=CC=CC3=O	1444
+c1ccccc1S(=NC(=O)c2cnc(N)c(C#Cc3ccc(cc3)O)c2)(C)=O	129
+c1cc(ccc1I)OCc2c(oc(C(=O)OC)c2)C	20
+c1cc(ccc1I)OCc2c(oc(c2)C(=O)O)C	1
+c1cc(ccc1N(C(CNc2ccc(cc2N)F)=O)C(C)C)OC	0
+C1CN(CCC1CN(C(CC)=O)c2ccc(cc2)Cl)CCc3ccccc3	28
+c1cc(ccc1N(CC2c3ccccc3CCC2)C)OC	15
+c1cc(ccc1N(C)C)-c2ccc(C(=O)Nc3cc(CC(O)=O)ccc3)o2	3
+c1cc(ccc1N(CCO)C)-c2sc3c(cccc3)n2	11000
+c1cc(ccc1N(C)CCOC)C(=O)O	6
+c1cc(ccc1N(C)c2c3c(nc(C)n2)cccc3)OCC(=O)O	4
+c1cc(ccc1N(CC(Nc2ccc(cc2)Cl)=N)C)F	4303
+c1cc(ccc1N(C)CC2c3ccccc3CCC2)O	5
+c1cc(ccc1N(CCCC)CCCC)C=Cc2ccc(cc2)C=C	443
+c1cc(ccc1N(C(C2c3ccc(cc3CCC2)O)=O)Cc4ccc(cc4)N(C)C)C(C)C	16
+c1cc(ccc1-c2cc(C)ncc2)NC(C(c3ccc(cc3)[N+]([O-])=O)C)=O	26
+CC(C)n1c2ncnc(Cl)c2c(c1)-c3ccc(cc3)NS(=O)(=O)c4ccccc4	69
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)-c3nc(c(cn3)OC)N4CCOCC4	90
+c1cc(ccc1-c2nc3[nH]ncc3c(n2)OC4CCC(CC4)O)N	1002
+c1ccccc1C(=O)Nc2ccc(cc2)-c3occ(-c4cc(Cl)ccc4)n3	50
+c1cc(ccc1Nc2c3nccn3c(cn2)Br)-n4ccnc4	1638
+c1cc(ccc1Nc2c3ccc(C)c(Nc4c(cccn4)-c5c6cn[nH]c6ncn5)c3ccn2)C#N	201
+C1CCCC1CC(C(=O)O)c2ccc(cc2)NC(c3ccccc3)=O	50
+c1cc(ccc1C2SCCNC2)N	15
+c1cc(ccc1NC(=O)c2cc3c(cc2)cccc3)CN4c5c(c(ccc5OC)CC6C(=O)NC(=O)S6)CCC4=O	67
+c1cc(ccc1Cc2cc3CC(Nc3cc2)=O)NC(=O)c4n(nc(c4)C)CC	187
+c1cc(ccc1NC(c2ccccc2)=O)Cc3cn(C)c4ccc(C(=O)OC)cc34	50
+C1CCCN1c2c(c(nc(Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)n2)C)CC(OC)=O	67
+c1cc(ccc1NCCCOc2ccc(cc2)C=C(C)C(OC)=O)Cl	1350
+c1cc(ccc1Nc2c(OC)cc3C45CCCCC4C(Cc3c2)N(CC5)C(OCc6ccccc6)=O)Cl	1215
+c1cc(ccc1NC(c2cccnc2SCc3ccncc3)=O)Cl	246
+c1nc(ncc1C(=O)OCC)Nc2ccc(cc2)Cl	55
+c1cc(ccc1Nc2c(N)c(ncn2)Cl)Cl	73
+c1cc(ccc1F)NC(=O)c2ccc(nc2)Cl	971
+c1cc(ccc1N=Cc2cccc(-c3ccccc3)c2O)I	457
+c1nc(ncc1)Nc2ccc(cc2)I	55
+c1cc(ccc1N(C(=O)C)C)Nc2nc(c3c([nH]cc3)n2)NCCCCCN	55
+c1cc(ccc1C(Nc2ccc(cc2)N3C4C(CC3)N(C)CC4)=O)OCCCC	67
+Nc1ccc2nc3c(c(c2c1)O)cc(cc3)[N+]([O-])=O	11001
+c1cc(ccc1OCC)NCCNCc2ccccc2	1350
+c1cc(ccc1Nc2c(c(Cl)nc3ccnn23)CCCO)OCC	11002
+c1cc(ccc1)N2N(C(=C(C2=O)C(Nc3ccc(cc3)Oc4c5c(cc(OCC(O)C)cc5)ncc4)=O)C)C	1349
+c1cc(ccc1NC(C=2C(=O)N(c3ccccc3)N(C=2C)C)=O)Oc4cc(ncc4)N	1349
+c1cc(ccc1Sc2nc(ncc2)Cl)N	1124
+n1cc(cnc1Sc2ccc(cc2)N)Br	11003
+c1cc(ccc1N)Sc2ccnc3cccnc23	11004
+c1cc(ccc1N2CCC(CO)C2=O)Cl	4756
+c1cc(ccc1N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl)N	0
+c1cc(ccc1NC(c2ccc(cc2)N3C(=O)CCc4ccccc34)=O)OC	50
+C1=CN(c2cccc(c2)F)C(=O)n3cc(nc13)CCl	11005
+c1cc(ccc1N2C(C(=O)O)=CNC2=S)F	108
+c1cc(ccc1N2C(C)c3c(N(C2=O)c4cccc(C#N)c4)nc(Nc5cc(CCO)ccc5)nc3)OC	59
+c1cc(ccc1-n2c(cc3c(c(OC)cc4ncnc2c34)OC)CI)Cl	11006
+c1cc(ccc1N2CC(CN)OC2=O)I	18
+c1cc(ccc1CC(O)=O)N2C(=O)N(CC(Nc3cc(c(cc3OC)OC)Cl)=O)c4c(C2=O)cccc4	3
+c1cc(ccc1O)CC2c3c(cc(O)cc3)CCN2c4ccc(cc4)NC(=O)C	5
+c1cc(ccc1)N2C(C=3C(c4ccc(cc4)Cl)=NCc5onc(C)c5C=3C=C2)=O	11007
+c1cc(ccc1F)N2CC(CO)CC2=O	44
+c1cc(ccc1Br)N2CCC(CC2)O	100
+c1cc(ccc1Cl)N2CCC(CC2)C=O	378
+c1cc(ccc1N2CC(CC2)N=C(N)N)[N+]([O-])=O	4967
+c1cc(ccc1N2CCCN(C2=O)C)N	0
+c1cc(ccc1-c2nc(c3c(cc(OC)cc3OC)n2)O)N4CCNC(C)C4	526
+C1CN(CCN1CCCCc2c3c([nH]c2)cccc3)c4ccc(cc4)OC	15
+c1cc(ccc1N2CCN(CC2)c3nc(-c4ccccc4)c(s3)C(=O)OCC)OC	11008
+C1CN(CCN1c2ccc(cc2)N)C(O)C	0
+C1CN(CCN1c2ccc(cc2)N)C(OCCN(C)C)=O	0
+C1CN(CCN1c2ccc(cc2)N)C(OCc3ccccc3)=O	0
+c1cc(ccc1N=C=S)N2CCN(CC2)C	1034
+c1cc(ccc1N2CCN(CC2)CC(=C)C)N	0
+c1cc(ccc1N2CCN(CC2)c3nc(-c4ccccc4)c(s3)C#N)OC	1812
+c1cc(ccc1[N+]([O-])=O)OC(=O)N2CCN(CC2)c3ccc(cc3)[N+]([O-])=O	66
+c1cc(ccc1N2CCOC2=O)-c3ccc(CCC(=O)O)n3-c4c(C)cc(C(N)=O)cc4	3
+c1cc(ccc1N2CCOCC2)-c3c(C4C(C(O)=O)CC(CC4)F)nc(s3)C	4
+C1COCCN1c2ccc(cc2)CN	107
+C1COCCN1c2ccc(cc2)Nc3nccc(Sc4ccc(cc4)NC(C=C)=O)n3	55
+C1COCCN1c2ccc(cc2)Nc3nc(O)c4c(c(-c5cc(ccc5)[N+]([O-])=O)ncc4)n3	744
+c1cc(ccc1N2CCOCC2)NC(c3ccc(cc3)-c4nc(sc4)C(O)=O)=O	6
+c1cc(ccc1N2CCOCC2=O)CC(O)=O	3
+c1cc(ccc1N2C(c3ccc(cc3CC2)OC)Cc4ccc(cc4)O)NC(=O)C	16
+c1cc(ccc1OCC2=C(C(=O)N(c3ccc(cc3)F)N2C)C4CC4)F	11009
+c1cc(ccc1N2c3c(cccc3)CCC2=O)C(=O)O	1
+c1cc(ccc1NC(=O)Nc2c(cccc2)N)Cl	124
+c1cc(ccc1Cl)NC(Nc2c(OCc3c(Cl)cccc3)cccn2)=S	11010
+c1cc(ccc1NC(=O)C)C(CC(=O)OCC)O	2261
+CN(C)C(CC)C(c1ccc(cc1)NC(=O)C)n2ccnc2	4309
+c1cc(ccc1NC(=O)C)C=CC(=O)OCC	11011
+c1cc(ccc1CCC(OCC)=O)NC(=O)C	159
+c1cc(ccc1NC(=O)C)Cc2[nH]c3N(C(NC(c3n2)=O)=O)CCCC	4722
+c1cc(ccc1CCCCO)NC(=O)C	59
+c1cc(ccc1)N(c2ccccc2)c3ccc(cc3)C=Cc4ccc(cc4)C=Cc5ccc(cc5)NC(C)=O	914
+c1cc(ccc1N2C(=O)NCC2)N	106
+c1cc(ccc1N)S(=O)(=O)Nc2cc(Cl)nc(n2)NCC	106
+c1cc(ccc1Sc2c(cc(C)cc2)N)NC(=O)C	0
+c1cc(ccc1)OC(NC2CC(CN(C2)C(=O)c3cccc(-c4occc4)c3)C(Nc5ccc(cc5)Cl)=O)=O	101
+O=S(=O)(c1ccc(cc1)NCC2CCCC2)C	15
+c1ccccc1CN2CCN(C(=O)c3cccc(-c4occc4)c3)CC2C(=O)Nc5ccc(cc5)Cl	11012
+c1cc(ccc1NC(=O)C2CN(C(=O)c3cc(-c4occc4)ccc3)CCN2)Cl	679
+c1cc(ccc1C)NCCc2cnc(Cl)cc2	15
+c1cc(ccc1NC(=O)NC2(C(=O)N(CC=O)c3ccccc23)CC(Nc4ccc(cc4)C)=O)C	598
+c1cc(ccc1[N+]([O-])=O)N2C(NCCC2)=O	4102
+c1cc(ccc1-c2cc(n3nccc3n2)NCc4c(cc(cc4)Cl)Cl)N5CCNC5=O	1760
+c1cc(ccc1Cl)NC(Nc2c(cccc2)NS(=O)(=O)c3ccccc3)=O	69
+c1ccccc1NC(=O)Nc2ccc(cc2)-c3c(c(cc4ccc(Cl)cc34)CC(=O)O)C	4
+c1cc(ccc1NC(c2n[nH]cc2N)=O)F	209
+c1cc(ccc1Cn2nc(c3cccnc23)CC(O)=O)NC(=O)c4cc5c(cc4)cccc5	4
+c1cc(ccc1NC(=O)c2ccc3c(n(nc3CC)C4CCCC4)c2)C(O)=O	1
+c1cc(ccc1NC(=O)c2ccc3c(n(nc3CC)C4CCCC4)c2)C(NO)=O	2618
+c1cc(ccc1NC(=O)c2ccc3c(n(nc3CC)C4CCCC4)c2)C(NOCc5ccccc5)=O	514
+c1cc(ccc1NC(C(c2ccc(cc2)F)C)=O)-c3cc4nc(nn4cc3)N	2070
+c1cc(ccc1NC(C)CN(C)C)N	0
+c1cc(ccc1NC(=O)C2CC(CN(C(=O)c3cc(-c4occc4)ccc3)C2)N)Cl	18
+c1cc(ccc1N)NC(C2N(CCN(c3cc(Cl)c(cc3)Cl)C2)CC)=O	0
+CC1(C)c2cc(ccc2NC(=O)C1)F	1620
+c1cc(ccc1NC(=O)NC2(CC(=O)O)C(N(c3ccccc23)CC(OCC)OCC)=O)C	3
+c1cc(ccc1NC(=O)C)N2CCNC2=O	1760
+CC(C)C(N1Cc2c(ccc(c2)-c3ccc(cc3)NC(Nc4c(C)cccc4)=S)C1=O)C(O)=O	4
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(N3CCCC(N)c4ccccc34)=O	18
+c1cc(ccc1NC(=O)c2cc(ccc2OC)N)Br	0
+c1cc(ccc1NC(c2c(F)c(O)ccc2Cl)=O)CC(OCC)=O	5
+c1cc(ccc1NC(c2c(c(OCc3cc(Cl)ccc3)ccc2Cl)F)=O)CC(O)=O	3
+c1cc(ccc1NC(c2c(c3c(cccc3OC)o2)C)=O)-c4ccc(cc4)S(=O)(=O)NC(C(C)C)C(O)=O	4
+c1ccccc1C(Nc2ccc(cc2)CCC(=O)O)=O	159
+c1cc(ccc1NC(c2ccccc2)=O)Cc3cn(C)c4c3cc(cc4)C(=O)O	1
+c1cc(ccc1C)-c2c(cccc2)C(Nc3ccc(cc3)C(=O)N(C)c4c(CO)cccc4)=O	217
+O=S(=O)(Cc1ccc(cc1)NC(c2ncnc(c2)N(CC3CC3)C4CCCCC4)=O)CCC(=O)O	3
+c1cc(ccc1)OCC(c2oc3c(cccc3)c2C)Nc4ccc(cc4)C(=O)O	1
+c1cc(ccc1[N+](=O)[O-])Nc2c3ncn(C)c3nc(Cl)n2	1545
+c1cc(ccc1C(=O)O)NCCCCCC(=NO)CCCCCCCCCC	6
+c1ccccc1OCCCCCCCCCCCNc2ccc(cc2)C(=O)O	6
+c1cc(ccc1NCCCN2CCN(CC2)C)N	0
+c1cc(ccc1N)NCCc2cnccc2	0
+c1cc(ccc1NCc2c(C)oc(c2)C(=O)O)-c3ccccc3	1
+c1cc(ccc1NNC=O)N	0
+c1cc(ccc1NS(=O)(=O)C)-c2nn3c(nnc3Cc4ccc(cc4)Cl)cc2	2736
+c1cc(ccc1CO)NS(=O)(=O)C	217
+c1cc(ccc1NS(=O)(=O)CC)Cc2c(nc3c(ccc(OCC(O)=O)c3c2OC(F)F)F)CC	4
+O=S1(=O)CCCN1c2ccc(cc2)[N+]([O-])=O	2442
+O=S(=O)(c1c(cccc1)N)Nc2ccc(cc2)OC	0
+c1cc(ccc1NS(=O)(=O)c2cccc(c2Cl)Cl)-c3c(N)n4c(c(C(=O)O)cn4)nc3	6
+c1cc(ccc1CCN)NS(=O)(=O)c2ccccc2	102
+c1cc(ccc1Cc2ccccc2)Nc3c(CO)cnc4ccc(cc34)Cl	351
+c1cc(ccc1Cl)-n2c(-c3c(cccc3)F)nc4c2nc(C)nc4Cl	11013
+c1cc(ccc1Nc2ncccc2N)Cl	13
+c1cc(ccc1Nc2c(N)cnc(Cl)n2)I	193
+c1cc(ccc1OC)Nc2c(N)cnc(Cl)n2	193
+c1cc(ccc1OCC)Nc2nc(Nc3cnn(CCn4nccc4)c3)ncc2N	193
+c1cc(ccn1)-c2c3c(nc(nc3[nH]c2)Nc4ccc5c(CCC(=O)N5C)c4)Nc6ccc(cc6)F	392
+c1cc(ccc1Oc2ccccc2)Nc3c4c(cc(OC)c(c4)N)ncn3	0
+c1cc(ccc1Nc2nn(c3ccnc(O)c23)C(CC#N)C)S(=O)(=O)N(C)C	700
+c1cc(ccc1Nc2c3cc(-c4ccco4)ccc3nc(n2)-n5c6c(c(C(=O)CCC(=O)O)c5)cc(Br)cc6)OC	4
+c1cc(ccc1Nc2c3n(ccn3)cc(Br)n2)C(O)=O	6
+c1cc(ccc1Nc2cccc(c2)O)N	0
+c1cc(ccc1Nc2ccccn2)Oc3ncccc3C(=O)O	6
+c1cc(ccc1Nc2c3c(cccc3)nc(n2)-c4cccc(O)n4)Cl	104
+c1cc(ccc1C(O)=O)Nc2nc(Cl)ccc2C(=O)N	1
+c1cc(ccc1Nc2cc(N(C)C)nc(NCCc3ccccc3)n2)C	15
+c1cc(ccc1CCN)Nc2ncc(cc2)C(=O)N	51
+c1cc(ccc1CO)Nc2ncc3c(ccc(c3)-c4ccncc4)n2	41
+C1C(C)N(C(CN1c2nccc(-n3cnc(Nc4ccc(cc4)C(O)=O)n3)c2)C)C(=O)C	6
+c1ccccc1-c2cc(Nc3ccc(cc3)CC(C4CO4)NC(C)=O)ncn2	2080
+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(OCC)c(cc34)N	0
+c1cc(ccc1O)-c2c(CC)c(-c3c(cc(O)cc3)F)cnc2N	5
+C1CC(CCN1)(C)NC(=O)c2c3c(C)nn(c3nc(-c4ccc(cc4)O)c2)C5CCCCO5	25
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4cc(ccc4)O	11014
+c1cc(ccc1OCc2cccc(c2)C(OC)=O)-c3nnc(CNC(=O)C(O)CCCCCCc4ccc(nc4)F)s3	22
+c1ccccc1COc2ccc(cc2)C#N	22
+c1cc(ccc1C#N)Oc2ccccn2	1237
+c1ccccc1C(c2ccccc2)CN(Cc3c(Cl)c(C(F)(F)F)ccc3)CCCOc4ccc(cc4)C(=O)OC	20
+c1ccccc1COc2ccc(cc2)C(C(O)=O)O	22
+c1cc(ccc1)-c2cc(nc3ccccc23)-c4ccc(cc4)O	11015
+c1cc(ccc1C(CCc2cc(OC)c(cc2)O)=O)O	2301
+c1cc(ccc1O)-c2nc3n(cc(cc3)Br)c2	440
+C1(=O)c2ccccc2C(=O)N1C3CCC(CC3)Oc4ccc(cc4)C(OCC)=O	20
+c1cc(ccc1C(OCC)=O)Oc2ccccn2	1237
+c1cc(ccc1O)C(c2ccc(cc2)O)=C(CC)c3ccc(cc3)OCC(=O)O	3
+c1cc(ccc1C(c2ccc(cc2)O)=C(c3ccc(cc3)OCC(OCC)=O)CCCC)O	1051
+c1cc(ccc1C2CCC(CC2)O)O	100
+c1cc(ccc1OC)C=2OC(C)(C)C(C=2c3ccc(cc3)OCc4nc5ccccn5c4Cl)=O	2303
+c1cc(ccc1OCc2nn3ccnc3cc2)C4=C(OC(C)(C)C4=O)c5ccc(cc5)OC	412
+c1cc(ccc1C=C(C)C(O)=O)O	11016
+c1cc(ccc1CC(=O)OC)OCc2ccccc2	22
+c1cc(ccc1OCc2ccccc2)CC(C(=O)OCC)O	22
+c1ccccc1COc2ccc(cc2)CCC#N	22
+c1cc(ccc1)COC(=O)CCc2ccc(cc2)O	283
+c1cc(ccc1O)CCCCO	21
+c1cc(ccc1OCc2ccccc2)CCCCO	22
+c1cc(ccc1O)CCNc2nccc(n2)-c3cc(ccc3)C=O	1054
+c12ccccc1nc3c(cccc3)c2C(=O)Oc4ccc(cc4)CCOS(=O)(=O)c5ccc(cc5)C	1039
+c1cc(ccc1O)CNCc2ccc(cc2)-c3c(cc4c5n(cnn5)ccc4n3)-c6ccccc6	11017
+c1cc(ccc1F)OC(Cc2ccc(cc2)OCc3ccccc3)C(OCC)=O	3319
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCCOc5ccc(cc5)F	20
+c1cc(ccc1)C(CC)=C(c2ccc(cc2)OCOC)C(Nc3ccc(cc3)O)=O	4538
+c1cc(ccc1C)Sc2ccnc(n2)Nc3ccc(cc3)O	55
+c1cc(ccc1O)Nc2sc3c(cccc3)n2	11018
+c1ccccc1COc2cc(I)ccc2C=Nc3ccc(cc3)O	457
+c1cc(ccc1Nc2ncnc(c2)Cl)O	73
+c1cc(ccc1N)Oc2c(cccn2)-c3ccnc(C)c3	1605
+c1cc(ccc1N)Oc2ncnc3ccn(c23)C	1438
+c1cc(ccc1O)OC(=O)c2ccc(cc2)OCCCCOC(C=C)=O	852
+c1cc(ccc1OCC(C#N)(CCCC)C)O	450
+c1cc(ccc1O)OCC(Nc2ccccc2)=O	648
+c1cc(ccc1OCCOC(=O)C=C)C(=O)Oc2ccc(cc2)OC(c3ccc(cc3)OCCCCOC(=O)C=C)=O	5035
+c1cc(ccc1OCCNc2ccccc2)O	15
+c1cc(ccc1O)Oc2ccccc2N	0
+c1cc(ccc1SCCCO)OCc2ccccc2	22
+c1cc(ccc1O)-c2occn2	173
+c1cc(ccc1C(=Cc2cc(c(F)cc2)C)C(=O)O)O	173
+c1cc(ccc1OC(=O)C)CO	41
+c1cc(ccc1)N(C)C(=O)Oc2ccc(cc2)N	0
+C(N1c2c(ccc(c2)-c3nc(cs3)C(=O)OCC)CC1)(Nc4sc5c(cccc5)n4)=O	2143
+c1cc(ccc1OC(C)C(=O)OC)O	173
+c1cc(ccc1CCC)OC(C)C(=O)O	3
+c1cc(ccc1OC(C(Nc2scc(CC(=O)O)n2)=O)CC3CCCCC3)OC	3
+c1cc(ccc1C2CC2)OC(C(O)=O)=CC	127
+CC(C)Oc1ccc(cc1)-c2ccc(c(c2)N)O	0
+c1cc(ccc1OC(C)C)Cc2c(n[nH]c2C)OC3OC(C(C(C3O)O)O)CO	59
+c1cc(ccc1[N+]([O-])=O)OC(OC(C)C(NC2c3c(-c4c(NC2=O)cccc4)cccc3)=O)=O	3473
+c1cc(ccc1OC(NCc2ccc(S(=O)(=O)c3ccccc3)cn2)=O)[N+]([O-])=O	101
+c1ccccc1[Si](c2ccccc2)(OCC(C)(C)CNC(=O)Oc3ccc(cc3)[N+]([O-])=O)C(C)(C)C	101
+c1cnccc1CNC(Oc2ccc(cc2)[N+]([O-])=O)=O	101
+c1cc(ccc1O)C=CC(OCCCCCCCl)=O	11019
+c1cc(ccc1-c2cc([nH]n2)C=O)OC	178
+c1cc(ccc1OC)-c2c(-c3ccccc3OC)oc4ncnc(NCCCCCC(=O)O)c24	4
+c1cc(ccc1OC)-c2c(cc(cc2)Cc3c(c(c(OC)c(c3C)OC)OC)OC)C(O)=O	1
+c1cc(ccc1-c2c(C)nc(c(C#N)c2)O)O	5
+c1cc(ccc1OC)-c2c(C(O)=O)cc(cc2)CC3=C(C)C(C(=C(OC)C3=O)OC)=O	1450
+c1cc(ccc1-c2c(cnc(N)n2)C3=NN(C(C)C)C(=O)C=C3)O	5
+C1CN(CCC1c2nc(c(-c3ccc(cc3)OC)n2CC(=O)O)-c4ccc(cc4)OC)C(=O)N(C)O	4
+c1cc(ccc1-c2oc(OC)nc2-c3ccc(cc3)OC)O	16
+c1cc(ccc1OC)-c2c3c(oc2-c4ccccc4F)ncnc3NCCCCCC(=O)O	4
+c1cc(ccc1OC)-c2c(OC)ccc(CN)c2	18
+c1cc(ccc1CC2SC(NC2=O)=O)Oc3cccc(-c4ccc(cc4)OC)c3	534
+c1cc(ccc1-c2cc3NC(=O)Cc3cc2)OC	11020
+c1ccccc1Cn2c3ccc(-c4ccc(cc4)O)cc3c(C)c2C	5
+c1cc(ccc1O)-c2ccc(c(F)c2)-c3ccc(cc3)CCC	5
+c1cc(ccc1OC)-c2ccc(cc2)-c3nc(CCOc4ccc(cc4)OC(C)(C)C(=O)O)c(C)o3	3
+c1ccccc1-c2c(c3cc(ccc3n2C)-c4ccc(cc4)O)C	5
+c1cc(ccc1-c2oc(nc2)-c3cccc(-c4oc(nn4)Cc5ccc(cc5)C(=O)OC)c3)OC	1705
+c1cccc2c1C(=O)N(C2=O)CCOc3ccc(cc3)-c4oc(nc4-c5ccc(cc5)OC)OC	896
+c1cc(ccc1-n2c3ccccc3nc2-c4c(noc4)CC)O	5
+c1cc(ccc1-n2nc(c3c(cc(nc23)C)C(Nc4c(C)nccc4C)=O)C)O	5
+c1cc(ccc1-n2c(ccn2)N)OC	2257
+c1cc(ccc1CN2c3c(C(=O)N(C2=O)CC(=O)c4ccc(cc4)O)cc(s3)CC)-c5c(C#N)cccc5	5
+c1cc(ccc1OC)-c2oc(c(CC=C)n2)C	11021
+c1cc(ccc1-c2nnc(o2)Cc3cc4sc(C(OCC)=O)cc4cc3)OC	877
+c1cc(ccc1OC)Cc2c(ccc(c2)I)Cl	394
+c1cc(ccc1Cc2c(sc(c2)Br)Cl)OC	11022
+c1cc(ccc1OC)C(=O)c2ccc(cc2)OCC(O)=O	4
+c1cc(ccc1OCC(O)=O)C(c2ccc(cc2)OC)O	488
+c1cc(ccc1C(=O)c2ccc(cc2)O)OCCCl	5
+CC(C)(C#CC(c1ccc(cc1)OC)=O)O	3145
+c1cc(ccc1OC)C(Cc2cc(ncc2)NC(=O)c3ccccc3)=O	330
+c1ccccc1CCCNC(=O)c2ccc(cc2)OC	93
+c1cc(ccc1C(c2c(Cc3ccccc3)sc4ccccc24)=O)OC	11023
+c1cc(ccc1Cc2cc(ccc2Cl)Br)OC	394
+c1cc(ccc1OC)Cc2cc(ccc2OCc3ccccc3)OC	452
+c1cc(ccc1OC)C(c2ccc(cc2)OC)(OCc3cc(CF)cc(c3)CN)c4ccccc4	18
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CC#N	11024
+c1cc(ccc1OC)C(c2ccc(cc2)OC)CCN	51
+c1cc(ccc1CNOC)OC	1059
+c1ccccc1COC(NC2CCN(C3C(CC(CC3)NCc4ccc(cc4)OC)NC(C)=O)C2=O)=O	42
+c1cnccc1CN2CCN(CC2)c3c4c(ncc3Br)[nH]c(-c5ccc(cc5)OC)n4	2671
+c1cc(ccc1CC(=O)N2C(OCC2Cc3ccccc3)=O)OC	1840
+c1cc(ccc1O)CCCC(=O)O	5
+c1cc(ccc1OC)CCC=O	24
+C1CCCC1N2C(c3cc(OC)ccc3CC2)=O	11025
+O=S(=O)(c1ccc(cc1)Br)N(Cc2ccc(cc2)OC)C	11026
+c1cc(ccc1COC(=O)C2N(CC(O)C2)C(OCc3ccc(cc3)[N+](=O)[O-])=O)OC	11027
+O=S(=O)(Nc1nccs1)c2ccc3N(c4ccccc4C(O)CO)CCOc3c2	11028
+c1cc(ccc1CN2C(C(Cl)=C(C(OC)=O)C(=C2)C(O)=O)=O)OC	127
+CC1(C)CC(CC(N1)C(C)O)=O	11029
+C1(CC(N)CC1)Oc2cc3c(c(ncc3)O)cc2	11030
+c1cc(ccc1CN2CC(CC2=O)C(O)C)OC	100
+c1cc(ccc1CN2CC(CCC2)CCCC)OC	1571
+c1cc(ccc1OC)CN2C(=O)C(Br)=CC(CO)=N2	11031
+CCOC(c1c(O)nc2c(cc(F)cn2)c1Cl)=O	11032
+N#Cc1c(O)nc2c(cc(F)cn2)c1Cl	11033
+CCOC(c1c(N)cc(Cl)nc1)=O	4316
+c1cc(ccc1OC)CNc2nccc([N+]([O-])=O)c2	174
+c1cc(ccc1OC)CNc2c(cnc(Nc3ncc(C#N)nc3)c2)N	13
+n1cc2c(cc1N)c(ncn2)Nc3ccc(F)c(Br)c3	755
+C(c1cccc(F)c1)n2ncc3cc(ccc23)Nc4c5cc(ncc5ncn4)N	755
+C(#C)c1cc(ccc1Cl)Nc2c3cc(ncc3ncn2)N	755
+Nc1nccc(c1)[N+](=O)[O-]	755
+C=CCOP(OCC=C)(=O)OCc1c(ccc(F)c1)C(=O)O	11034
+c1cc(ccc1)C(=O)OCC(=C)CCOCc2ccc(cc2)OC	11035
+c1(cc(cc(Br)c1OCc2ccc(cc2)OC)C(C=C)=O)Br	11036
+c1cc(ccc1OC)COc2c(c3c(cc2OCc4ccc(cc4)OC)N(CC)C=C(CO)C3=O)Cl	11037
+c1cc(ccc1COc2c(Cl)c3C(=O)C(C=O)=CN(c3cc2OCc4ccc(cc4)OC)CC)OC	11038
+c1cc(ccc1COc2c(O)ccc(c2)C=O)Cl	686
+c1c(Cl)c(OCc2cccc(F)c2)ccc1Nc3ncnc4cccc(c34)O	686
+c1cc(ccc1COc2cc(C(C(C)C)=O)c(-c3c(ccc(OC)c3)F)cc2)OC	155
+c1cc(ccc1COc2cc(c(-c3cc(OC)ccc3F)cc2)C=O)OC	39
+c1cc(ccc1OC)COc2c3n(cc(c2)N4C(=O)C=CC=C4)cc(n3)C	5092
+c1c(c(Nc2cc([N+]([O-])=O)c(cc2)C(=O)c3cc(ccc3C)O)ccc1F)F	686
+c1cc(ccc1O)Cc2c(NCCCCC)nc(N)nc2C	5
+c1cc(ccc1O)Cc2c(ccc(c2)I)Cl	5
+c1cc(ccc1OC)Cc2cc(ccc2O)OC	16
+c1cc(ccc1OC)Cc2nc(O)c(nn2)C(NC(C(CCCc3ccccc3)C(=O)C)=O)C	2299
+c1cc(ccc1OC)Cc2nc(O)c(C(C)NC(C(CCCc3ccccc3)C(C)O)=O)nn2	9
+O=S(=O)(Nc1cccc(c1)-c2n[nH]cc2-c3nc(N)ncc3)c4cc(ccc4F)F	1613
+c1cc(ccc1OC)Cn2nc(c(-c3ccnc(N)n3)c2)-c4cccc(N)c4	0
+c1cc(ccc1OC)Cn2cc(-c3nc(Nc4ncccn4)sc3)c(n2)Br	11039
+c1cc(ccc1OC)Cn2cc(C(O)=O)cn2	6
+C1CC1c2nc3c(c(C(OCC)=O)c2)cn[nH]3	4274
+c1cc(ccc1OC)Cn2nnc(-c3cc(C(=O)NCc4ccc(cc4)C(O)=O)ccc3)n2	1
+c1cc(ccc1N(C)c2nc(C)nc3c2cccc3)O	5
+c1c2c(ccc1)C(=O)N(C2=O)Cc3nc4ccccc4c(n3)N(C)c5ccc(cc5)OC	2884
+c1cc(ccc1OC)N(C)c2c3ccccc3nc(n2)CNC(=O)Oc4ccccc4	101
+C1CN(CCN1c2ccc(cc2)O)c3ccc(cc3)N	5
+c1cc(ccc1OC)N2CCN(CC2)c3ccc(cc3)NC(=O)Oc4ccccc4	90
+c1cc(ccc1OC)N2CCN(CC2)c3ccc(cc3)N	0
+c1cc(ccc1OC)-n2c(-c3conc3CC)nc4ccccc24	11040
+c1cc(ccc1OC)Nc2nc3cnc(C(O)=O)cc3n2CCCN4CCCCC4	6
+CC1(C)Oc2c(C=C1)cc(OC)cc2	1318
+c1cc(ccc1Oc2cc(ccc2)CN)OC	817
+O=S(=O)(N(C)C)c1ccc(cc1)O	5
+c1cc(ccc1OC)S(=O)(=O)N(C(CO)C(OC)=O)Cc2cc(C)ccc2N	0
+c1cc(ccc1S(=O)(=O)N2CCN(CC2)CC(Nc3ccccc3C(=O)N)=O)OC	33
+c1cc(ccc1S(=O)(=O)N2CCc3c2c(cc(Br)c3)N)OC	0
+c1cc(ccc1SC(CC)C)O	5
+c1cc(ccc1SCN2C(N=CC(Cl)=C2)=O)OC	11041
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)N=C=S	1034
+c1cc(ccc1OC)Sc2c(Cl)cc(cc2Cl)N	0
+c1cc(ccc1C#N)Sc2ccc(cc2)O	5
+c1cc(ccc1-c2cnnc(c2Oc3ccc(cc3)F)O)S(=O)(=O)C	11042
+c1cc(ccc1OCC#CC)C(=O)O	1
+c1cc(ccc1S(=O)(=O)N2C(C(=O)O)C(C)(C)SCC2)OCC#CCCOC3OCCCC3	4
+c1cc(ccc1OCC(O)C)CO	100
+c1cc(ccc1CC(OCC)C(O)=O)OCC(=O)N(Cc2c(cc(F)cc2)F)Cc3ccc(cc3)CC	3
+c1cc(ccc1CC(OCC)C(O)=O)OCC(=O)N(Cc2cccc(OC)c2OC)CCCC	3
+c1cc(ccc1Oc2c(OC)c3c(ccc(Br)c3)nc2O)C#N	11043
+c1cc(ccc1CC(OCC)C(=O)NOC)OCC(O)c2cccc(OC)c2	74
+c1ccccc1C(C(NC(c2ccc(cc2)OCC(C)CCC)CN=[N+]=[N-])=O)C	9
+c1cc(ccc1OCC(CCCCC)c2ccc3c(OCCC3(C)C)c2)C(=O)O	1
+c1ccccc1CNC(COc2ccc(cc2)-c3c(c(CN4C(=O)CCC4=O)nc5c3c6CCS(=O)Cc6s5)Cl)=O	9
+c1cc(ccc1OCC(O)=O)OCCOCCOCCOCCCCCCCCCCCS	1113
+c1cc(ccc1OCC(O)=O)-c2c(C)nc(c(C#N)c2)O	3
+c1cc(ccc1OCC(O)=O)NC(OCc2ccccc2)=O	3
+c1cc(ccc1-c2ccc(cc2)OCC=O)OC(C(=C)C)=O	598
+c1cc(ccc1CC(O)=O)OCC(c2cccnc2C)=O	4
+c1cc(ccc1OCC)C(C2CCN(CC2)CC(=O)NCc3nc(c4COCCc4n3)O)=O	9
+c1cc(ccc1)CN2C(CN(c3ccc(cc3)OCC)CC2)C(=O)N(c4ccc(cc4)[N+]([O-])=O)CCOC	1834
+c1cc(ccc1Nc2c(cnc(n2)Nc3cn(nc3)CCn4nccc4)[N+]([O-])=O)OCC	486
+c1cc(ccc1OCC2(CCc3c(C)c(OC(C)=O)c(c(C)c3O2)C)C)N	0
+c1cc(ccc1Cl)OCC(c2ccc(s2)Br)(Cn3cncn3)O	1377
+c1cc(ccc1OCC2CC2)-c3cc(NC(Cc4ccccc4)C(=O)O)ncn3	4
+c1cc(ccc1OCC(O)CO)C#N	265
+c1cc(ccc1OCC=2OC=C(C(C=2)=O)O)CC(C)=O	2306
+c1cc(ccc1CCC(=O)O)OCC=C	4
+c1cc(ccc1OCCBr)CC2=C(C(Oc3c2ccc(O)c3)=O)c4c(Cl)cc(Cl)cc4	5
+c1cc(ccc1OCCBr)Oc2nc3ccccc3s2	1523
+CC(C)Sc1n(-c2ccc(cc2)OCCCO)nnn1	11044
+C(O)C(CO)CCOc1ccc(cc1)Br	1257
+c1cc(ccc1OCCC(CCC=C)CO)F	44
+c1cc(ccc1)CN2CCC(c3ccc(cc3)OCCC)=CC2	252
+c1cc(ccc1CC(O)=O)OCCC2C(C3CCN(CC3)c4onc(C(C)C)n4)C2	4
+c1cc(ccc1OCCCC(O)=O)C=O	3
+c1cc(ccc1OCCCCC(=O)O)-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2	3
+c1cc(ccc1OCCCCCCCC)-c2ncc(cn2)C(OCC)=O	511
+c1cc(ccc1OCCCCCCCC)-c2ncc(cn2)C(O)=O	6
+C1CC(CCC1c2ccc(cc2)OCCCCCCCCCCCBr)OC(=O)c3ccc(cc3)OCCCCCCCC	279
+c1cc(ccc1OCCCCCCCC)-c2ccc(c(n2)O)CCCCCCCC	11045
+c1cc(ccc1C(=O)O)OCCCCCCCCCCCCCC	1
+c1cc(ccc1OCCCCCCOC)N2CCNCC2	526
+c1cc(ccc1CN)OCCCCN(CC)CC	107
+c1cc(ccc1CN)OCCCCN2CCOCC2	107
+c1cc(ccc1OCCCCl)-c2nc(CC(=O)O)co2	4
+c1cc(ccc1OCCCCl)-c2occ(n2)C(O)=O	6
+c1cc(ccc1OCCCCl)-c2nc3c(s2)CCC3C(=O)O	3
+c1cc(ccc1OCCCN(C)Cc2nc3ccccc3nc2)N	0
+c1cc(ccc1OCCCOc2ccc(cc2)CC(C(O)=O)OC)OCC(F)(F)C(F)F	3
+c1cc(ccc1OCCCc2[nH]nnn2)CCCCN	102
+c1cc(ccc1CC2SC(=O)NC2=O)OCCN(c3ncccn3)C	534
+c1cc(ccc1OCCN2C(Sc3c2ccc(C(c4ccccc4)=NO)c3)=O)OC(C)(C)C(=O)O	3
+c1cc(ccc1OCCN2CCCC2C)-c3nc(CC(=O)O)co3	4
+c1cc(ccc1OCCN)CC(C)(CCCc2ccccc2)C(=O)OCC	18
+c1cc(ccc1CCC(=O)O)OCCN=[N+]=[N-]	4
+c1cc(ccc1OCCN)[N+]([O-])=O	18
+c1cc(ccc1C(=O)O)OCCOC	1
+c1cc(ccc1OCCOCCCC)-c2cc3CCCN(C)c3c(C=C(C)C(=O)O)c2	108
+c1cc(ccc1OCCOCCCC)-c2cc3c(cc2)N(CCCC(C(O)=O)=C3)CC(C)=C	127
+c1cc(ccc1OCCOCCCC)-c2cc3c(cc2)N(CCC(C(O)=O)=C3)CC=CC	127
+c1cc(ccc1O)OCCOCCOCCOCCCCCCCCCC=C	173
+O=C(OC)C(C(=O)OC)Cc1ccc(cc1)OCCOc2cc3CCCCc3cc2	11046
+c1cc(ccc1OCCc2ncc(C(C)OCOC)cc2)CC3SC(=O)NC3=O	534
+c1cc(ccc1OC(C)(C)C(=O)O)OCCc2nc(-c3ccc(cc3)-c4cccnc4)oc2C	3
+c1cc(ccc1OCCc2ccc(CO)cn2)[N+]([O-])=O	1262
+c1cc(ccc1N)OCCn2cncc2	0
+c1cc(ccc1OCOC)C(N)CCC	840
+c1cc(ccc1OCc2c(C(C)C)onc2-c3c(cccc3Cl)Cl)-c4ccc5c(c4)cc(C(O)=O)c(C)n5	6
+c1cc(ccc1OCc2c(C(C)C)onc2COc3c(C)cccc3C)-c4ccc5cc(C(=O)O)ncc5c4	1
+c1cc(ccc1OCc2c(C3CCCC3)onc2C4CCCC4)-c5cc6c(nc(C(=O)O)cc6)cc5	1
+c1cc(ccc1OCc2c(CCc3c(cccc3Cl)Cl)noc2C(C)C)-c4ccc5c(c4)c(C(=O)O)ccc5	1
+c1cc(ccc1OCc2c(CCc3c(cccc3Cl)Cl)noc2C(C)C)-c4ccc5c(c4)cc(C(O)=O)cc5	1
+c1cc(ccc1OCc2c(F)cccc2)CSCCC(O)=O	3
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CO	41
+c1cc(ccc1OCc2c(onc2Cc3c(Cl)cccc3Cl)C(C)C)-c4cc5c(c(ccc5)C(=O)O)cc4	6
+c1cc(ccc1Cl)OCc2ccc(cc2)CNC3=C(Nc4ccncc4)C(=O)C3=O	993
+c1cc(ccc1OCc2ccc(cc2)CN)Cl	18
+c1cc(ccc1CC(=O)O)OCc2ccc3ccccc3n2	3
+c1cc(ccc1OCc2cccc(F)c2)N3CC(C#N)CC3=O	143
+c1cc(ccc1-c2nn(cc2-c3ccncc3)C)O	16
+c1cc(ccc1OCc2ccccc2)-n3c(-c4ccccc4Cl)nc(C(O)=O)c3C	6
+c1cc(ccc1OCc2ccccc2)C(c3ccc(cc3O)OC)=O	241
+c1cc(ccc1O)C=2C(=O)C(C)(C)OC=2c3ccc(cc3)OC	16
+c1cc(ccc1CC(C(=O)OCC)(C)Oc2cc3c(cc2)nccc3)O	16
+c1cc(ccc1O)CC(OCC)C(OCC)=O	16
+c1cc(ccc1CC(OCCCCCC)C(=O)OC)O	16
+c1cc(ccc1N)N2C(c3ccc(cc3CC2)OC)Cc4ccc(cc4)OCc5ccccc5	0
+c1cc(ccc1CCCCn2c(ncc2)CC(O)CO)O	16
+c1cc(ccc1Cn2c3c(cc2CNC)cccc3)O	16
+c1ccccc1-c2cn(Cc3ccc(cc3)OCc4ccccc4)cc2C=O	200
+c1cc(ccc1O)OC2CCNC2=O	16
+Cc1cccc(C)c1-c2nn3cc(COc4ccc(cc4)C(C#CC)CC(=O)O)ccc3n2	3
+c1cc(ccc1OCc2nc(sc2)N)CCCCn3ccnn3	1176
+c1cc(ccc1OCc2cscc2)CC[N+](=O)[O-]	364
+c1cc(ccc1OCc2nc3c(cccc3C)n2CCC(C)C(=O)O)Cl	3
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CNO	1059
+c1cc(ccc1OS(=O)(=O)C)CCOc2ccc(cc2)CC(OCCCCCC)C(O)=O	4
+c1cc(ccc1Oc2c(-c3ccccc3)c(C)cc4cc(ccc24)OC)OCCCC(O)=O	3
+c1cc2c(oc3c2cc(C#N)cc3)c(c1OC)C(C)CC	5082
+c1cc(ccc1N)Oc2c(Cl)ccc(c2)F	0
+c1cc(ccc1C#N)Oc2c(O)nc3ccc(Br)cc3c2O	5
+c1cc(ccc1OC)Oc2c(N)cc(F)c(Br)c2	0
+c1cc(ccc1O)Oc2c([N+](=O)[O-])cccc2	173
+c1cc(ccc1F)Oc2cccc(C(OC)=O)c2N	0
+c1cc(ccc1F)Oc2c(C(=O)O)cc(cn2)F	1
+c1cc(ccc1-c2noc(c2)C#N)Oc3c(ccc(F)c3)Br	11047
+c1cc(ccc1Oc2cc(ccc2N)N)C=C	0
+c1cc(ccc1Oc2ccnc3c2ncc(c3)OC)Nc4nnc(c5c4cccc5)-c6sc(c(C)c6)C	1443
+c1cc(ccc1Oc2c3cc(c(OCCOC)cc3ncc2)C#N)N	0
+c1cc(ccc1NC(NC(=O)Cc2ccccc2)=S)Oc3ncnc4nc[nH]c34	3704
+c1cc(ccc1Oc2ccnc3c2sc(c3)C(=O)O)NC(Nc4cc(ccc4F)C)=O	1
+c1cc(ccc1Oc2cc(OC3CCN(C)C3=O)cc(C(O)=O)c2)-c4oc(C)nn4	1
+c1cc(ccc1OCC)Oc2cc(ccc2)C(O)=O	6
+c1cc(ccc1N)Oc2cc(Cl)ncn2	0
+c1cc(ccc1F)Oc2cc(cnc2N)Sc3ncccn3	1779
+c1cc(ccc1Oc2c(cc3C(C(=O)O)(C)CCOc3c2)C#N)C(=O)NCCc4ccc(cc4)Cl	4
+c1ccccc1CCNCc2ccc(cc2)Oc3ccc(C(=O)N4CCCCC4)cn3	42
+c1cc(ccc1Oc2ncc(C(=O)O)cc2)C=O	6
+c1cc(ccc1Oc2cc(C(C)C)c(O)cc2)OCC	16
+C1CC(CCO1)c2ccc(cc2)Oc3c4CCC(c4c(cc3)F)Oc5ccc6c(c5)OCC6CC(OC)=O	191
+c1cc(ccc1Oc2ccc(cc2)-c3nc(cc(n3)N(S(=O)(=O)C)CC(CO)O)C(N)=O)F	265
+c1cc(ccc1CCNc2ncc(c(O)n2)Cc3cnc(nc3)OC)Oc4ccc(cc4)Cl	785
+c1cc(ccc1Oc2ccc(cc2)F)S(=O)(=O)NCCc3ccccc3O	5
+c1cc(ccc1F)Oc2cc3cnc(C(=O)OCCCC)c(c3cc2)O	11048
+c1ccccc1Oc2ccc(cc2)CCCC	165
+c1cc(ccc1)Oc2ccc(cc2)-c3c(C#N)c(N)n(C4CC5CC4CN5C(=O)OCc6ccccc6)n3	2356
+C1CC(CCN1)c2ccc(cc2)Oc3ccccc3	191
+c1cc(ccc1Oc2ccccc2)CCN(C3CCN(CC3)Cc4ccc(cc4)C(O)=O)C	1
+c1cc(ccc1Oc2ccccc2)NC(=O)CN3CCN(CC3)C(=O)c4ccc(cc4)C(=O)O	1
+c1cc(ccc1Oc2ccccc2)NC(=O)Nc3cc4c(cn(n4)CCC=O)cc3	571
+c1cc(ccc1)Oc2ccc(cc2)NC(Nc3cc4nc(Cc5ccccc5)n(c4cc3)CCN(C)C)=O	11049
+c1cc(ccc1Oc2ccccn2)CO	49
+c1cc(ccc1Oc2ccccn2)C(=O)O	1
+c1cc(ccc1O)Oc2nc(ncc2)NC	16
+c1cc(ccc1Oc2ccnc(NCCCO)n2)N	0
+c1cc(ccc1Oc2c3cc[nH]c3ncc2)O	16
+c1cc(ccc1Oc2ccnc3c2sc(C(=O)NCCCC(=O)O)c3)NC(Nc4cc(ccc4F)C)=O	3
+c1cc(ccc1N)Oc2ccnc3cc(OC)cc(c23)OC	0
+c1cc(ccc1Oc2ncc(cc2)C(N)=O)CN3CC(c4ccccc4)CCCC3	48
+c1cc(ccc1Oc2ncc3c(c2)ccc(Cl)c3)O	5
+c1cc(ccc1Oc2ncccc2)-c3nc(on3)-c4ccc(cc4)O	16
+c1cc(ccc1Nc2c3ccccc3c(nn2)-c4cc(cs4)C)Oc5c(cccn5)-c6nc(ncc6)N	1443
+c1cc(ccc1N)Oc2ncnc(N)c2	0
+c1cc(ccc1N)Oc2ncnc(Nc3cccc(OC)c3)c2	0
+c1cc(ccc1N)Oc2ncnc(SC)c2	0
+c1cc(ccc1Oc2ncnc3[nH]c(cc23)C(OCC)=O)N	0
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(C)C)c3[nH]c(C(=S)N)cc3c2	742
+c1ccccc1CC(NC(=O)c2nc3c(nc2)cccc3)C(OC(C)=O)CC(CCC(C)(C)F)C(N)=S	199
+c1ccccc1COC(NC(C)C(N)=S)=O	199
+c1ccccc1COc2cc(c(Br)cc2OC)NC(C)=S	199
+c1ccccc1COc2c(OCc3ccccc3)c(C(N)=S)ccc2	581
+n1ccnn1-c2ccccc2C(=O)N3C(CCC(C3)C(N)=S)C	199
+s1c(C)ccc1C(N)=S	11050
+c1cc(ccc1S(=O)(=O)C(c2cc(ccc2F)F)CCCCO)Cl	1000
+c1cc(ccc1C(O)CCl)-c2ccc(cc2)S(=O)(=O)C(F)F	74
+c1(F)cccc(F)c1C([N+]#[C-])S(=O)(=O)c2ccc(cc2)C	11051
+c1cc(ccc1S(=O)(=O)C)-c2cc(sc2-c3ccc(cc3)F)N	2415
+c1cc(ccc1S(=O)(=O)C)C(C(=O)Nc2cnc(cn2)CO)Cc3cc(F)ccc3	59
+c1cc(ccc1C(Cc2cc(F)ccc2)C(O)=O)S(=O)(=O)C	4
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3[nH]c(C(O)=O)cc3c2	6
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(cc(C4=NCC(S4)CC(=O)O)[nH]3)c2	3
+c1cc(ccc1S(=O)(=O)C)Oc2cc(c3c(c2)cc(C(OCC)=O)[nH]3)O	321
+c1cc(ccc1S(=O)(=O)C)Oc2cc3c(c(OC(C)C)c2)[nH]c(c3)C4=NCC(CCO)S4	44
+c1cc(ccc1Oc2ccc(cc2)S(=O)(=O)C)N	0
+c1cc(ccc1S(=O)(=O)CCCOc2c(c(c(cc2)C(C)=O)O)CCC)C(CCCCC(O)=O)=O	4
+c1ccc(cc1OC)CC2C(C#N)CCCC2	881
+C1CC(CCC12CCC(CC2)C#N)O	881
+c1cc(ccc1)COc2nn(cc2CC#[N+]CS(=O)(=O)c3ccc(cc3)C)C	5067
+c1cc(ccc1S(=O)(=O)Cc2c(C)oc(-c3ccc(cc3)C(=O)NCc4cnccn4)n2)C	14
+c1cc(ccc1S(=O)(=O)Cc2c(C)oc(-c3ccc(cc3)C(O)=O)n2)C	1
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)c3ccncc3)Cl)C4(CCOCC4)C	69
+O=S(=O)(Oc1cc2c(cc1)nc(Nc3cc(c(cc3)OC)OC)n2Cc4ccccc4)c5ccc(cc5)F	681
+c1cc(ccc1S(=O)(=O)Nc2nncs2)NC(=O)C	1140
+c1cc(ccc1Cl)S(=O)(=O)N(C(C(O)=O)=C)C	127
+c1cc(ccc1S(=O)(=O)N(Cc2ccc(cc2)C(=O)O)C3CCCC(C)C3)Cl	1
+c1cc(ccc1S(=O)(=O)N(C2CCc3c(n4ccccc4c3C2)CC(=O)O)C)F	3
+O=S(=O)(N(CC(C)C)CC(=O)OCC)c1ccc(cc1)O	5
+c1cc(ccc1)C(c2ccccc2)C(Nc3ccc(cc3)S(=O)(=O)N(CC)CC)=O	33
+c12c(C(=O)N(C1=O)CCCN(S(=O)(=O)c3ccc(cc3)C)CC(F)(F)CCO)cccc2	118
+c1cc(ccc1S(=O)(=O)N)-c2cc(ccc2OC)-c3c(c(C)c(C(O)=O)s3)C	1
+C1COCCC1n2nc(c3c(nccc23)O)-c4ccc(cc4)S(=O)(=O)N	104
+c1cc(ccc1S(=O)(=O)N)C(=O)C=Cc2cc(-c3[nH]c4ccccc4c3)c(OC)cc2OC	2292
+c1cc(ccc1-c2c(ncnc2Cl)NS(=O)(=O)c3ccc(cc3)OC)OC	570
+c1cc(ccc1S(=O)(=O)N2CCC(=O)C2)C#N	86
+c1cc(ccc1CN)S(=O)(=O)N2CCCCC2	107
+C1CN(CCN1S(=O)(=O)c2ccc(cc2)OC)Cc3nc(O)c4c(cccc4)n3	1677
+C1CN(CCO1)S(=O)(=O)c2ccc(cc2)C=Cc3ccc(OCOC)c(O)c3	241
+c1cc(ccc1S(=O)(=O)N2c3c(N)cccc3CC2)OC	562
+c1ccccc1C(Nc2cccc3CCN(S(=O)(=O)c4ccc(cc4)OC)c23)=O	50
+c1cc(ccc1N)S(=O)(=O)N2c3ccccc3SC(C=C2)CCO	106
+c1cc(ccc1-c2ccc(cc2)COc3c(cc4ccccc4n3)C)S(=O)(=O)NC(C(C)C)C(O)=O	4
+c1cc(ccc1CC(OCC)=O)NC(C(Cn2cncc2)NS(=O)(=O)c3ccc(cc3)F)=O	11052
+O=S(=O)(c1ccc(cc1)Cl)NC2CCCCCC2CO	88
+c1cc(ccc1)CCN2CCC(CC(C)C)(C(CNS(=O)(=O)c3ccc(cc3)OC)C(=O)NO)C2=O	1697
+c1cc(ccc1S(=O)(=O)NCC2=CC(=O)C(=CO2)O)C	2306
+c1cc(ccc1S(=O)(=O)NCCCCCCC(C)(C)C(=O)O)Cl	3
+c1cc(ccc1S(=O)(=O)NCCc2n(C)c(CC(O)=O)cc2)F	3
+c1cc(ccc1S(=O)(=O)Nc2cc(F)c(cc2F)C(O)=O)-c3cnc(nc3)C4CCOCC4	1
+c1cc(ccc1S(=O)(=O)Nc2c(F)cc(cc2F)F)C(O)=O	1
+O=S(=O)(c1ccc(cc1)N)Nc2cc(Br)nc(c2)Br	106
+O=S(=O)(c1ccc(cc1)N2CCOCC2)Nc3ccsc3C(O)=O	1
+c1cc(ccc1C(=O)C=Cc2cc(-c3[nH]c4ccccc4c3)c(OC)cc2OC)S(=O)(=O)Nc5ncccc5	2292
+c1cc(ccc1N)S(=O)(=O)Nc2nncs2	106
+c1cc(ccc1S(=O)(=O)OC(C)COc2c(N)ccc(c2F)F)C	0
+c1cc(ccc1-c2ccc(cc2)Cl)S(=O)(=O)OCC(=O)O	3
+C1(c2c(C(=O)N1CC3COCC3)cccc2)=O	2140
+CC1(C)OC(Cn2ncc([N+](=O)[O-])c2)CO1	4811
+c1cc(ccc1S(=O)(=O)OCC2Oc3cc(ccc3OC2)O)C	5
+c1cccc2[nH]cc(C=3CCN(CC=3)CC4COc5c(O4)c6c(nc(cc6)C)cc5)c12	11053
+c1cc(ccc1[N+](=O)[O-])OCCOCCOCCOC	450
+c1ccccc1COCCOCCOCCOCCOCCOCCOCCOCCOCCOC	1117
+c1cc(ccc1O)S(=O)(=O)ON=C(C#N)c2cccs2	173
+O=S(=O)(c1ccc(cc1)Br)n2c3ccccc3cc2C=O	178
+c1cc(ccc1C)S(=O)(=O)n2c(cc3c(ccnc23)CNCCc4cncn4C)-c5c6c(cc(OC)c(n6)OC)n(C)c5	42
+C1CN(CCO1)CCn2cc(c3nc(c(OC)cc23)OC)-c4[nH]c5ncccc5c4	392
+c1cc(ccc1C)S(=O)(=O)n2c3c(c(C(C)C)c2)cc(Br)cn3	11054
+C1C(C)OC(CN1Cc2nnc(-c3cc(cc4c3cnn4S(=O)(=O)c5ccc(cc5)C)Br)o2)C	1705
+c1cc(ccc1S(=O)(=O)n2c3c(c(c2)C4C(CC=O)C4)cc(C#N)cc3)C	24
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(C#N)ccc23)C4CC4C=C)C	2142
+C1CCCC1NC(=O)C(CC#N)N2Cc3c4c(ncc3Cl)n(cc4C2=O)S(=O)(=O)c5ccc(cc5)C	11055
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(O)c(OC)cc45)C)C	16
+C1CN(CCO1)CCOc2cc3n(C)cc(-c4cc5cccnc5[nH]4)c3cc2OC	392
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(cnc23)-c4cccnc4)C(=O)c5cccc(N)c5)C	0
+c1cc(ccc1S(=O)(=O)n2cc(c3c2cccc3-c4nc5c(CNCC5)c(OC)n4)C)C	25
+c1cc(ccc1S(=O)(=O)n2c3c(cc2)C(c4c(c(N)c(N)cc4)Oc5ccc(cc5F)F)=CN(C3=O)C)C	0
+c1c(ccc(Oc2c(ccc3[nH]nnc23)C=4c5c([nH]cc5)C(N(C)C=4)=O)c1F)F	4061
+c1cc(ccc1C)S(=O)(=O)n2cnc(C(c3cc4c(cc(C(=O)NC)cc4)cc3)=O)c2	5061
+c1cc(ccc1C2N(CCC2)CCc3c(C)n[nH]c3C)C=CC(=O)OC	11056
+c1cc(ccc1S(=O)(=O)n2ncc3c(cc(cc23)Br)C(=O)O)C	1
+C1COCCN1Cc2oc(-c3cc(-c4c5c(ccc4)[nH]cc5)cc6c3c[nH]n6)nn2	3119
+c1cc(ccc1S(=O)(=NCCO)C)C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O	44
+c1cc(ccn1)-c2c(-c3ccc(cc3)S)nc4CCCn24	5087
+c12c(cccc1)C(=O)N(C2=O)CCCCCC(c3cc(c(OC)cc3)OC)(Sc4ccc(cc4)C)C#N	1656
+OB(O)c1ccc(cc1)SC	493
+c1cc(ccc1Cc2ccccc2OCc3ccccc3)SC	452
+c1cc(ccc1CC(=O)c2ccc(cc2)C)SC	11057
+c1cc(ccc1Cc2c(nc(NC(C)=O)s2)C=O)SC	11058
+c1cc(ccc1Oc2ccc(cc2)[N+]([O-])=O)SC	415
+c1c(cc2c(C)csc2c1)Br	3148
+C1(=O)c2ccc(C(=O)O)cc2Sc3ccc(cc13)C	358
+c1c(C)ccc2Sc3cccc(c3C(=O)c12)C(=O)O	358
+c1cc(ccc1Sc2ccccc2)CCCC(O)=O	165
+c1cc(ccc1)Sc2cc3c(cc2)CCCC3=O	214
+c1cc(ccc1C(=O)c2nc(Cl)c3c(scc3)n2)F	2329
+c1cc(ccc1OC)C(c2cc(ccc2OCc3ccccc3)OC)O	704
+c1cc(ccc1Oc2ccccc2)-c3c(C#N)c(Cl)cc(-c4ccc(cc4)N)n3	0
+c1cc(ccc1N)-c2cc(n3nccc3n2)NCc4c(cc(cc4)Cl)Cl	0
+c1cc(ccc1-c2nc3ccc(cn3c2)I)N	0
+c1cc(ccc1-c2nc(-c3c(C)sc(c3)C(=S)OC)sc2)N	0
+C12COCC(CC1)N2c3nc(-c4ccc(cc4)N)nc(NC(C)C)c3	0
+c1cc(ccc1N)-c2nc(c(cn2)OC)N3CCOCC3	0
+c1cc(ccc1N)-c2ncon2	0
+c1cc(ccc1-c2n(nnn2)C)N	0
+c1cc(ccc1N)-c2occ(-c3cc(Cl)ccc3)n2	0
+c1cc(ccc1N)C(N(C)C)=O	0
+c1cc(ccc1N)C(NCCCn2ccnc2)=O	0
+c1cc(ccc1C(C(OCC)=O)=O)N	0
+c1cc(ccc1C(C)(C)CN)[N+](=O)[O-]	51
+c1cc(ccc1[N+]([O-])=O)C2OC2	3146
+c1cc(ccc1[N+](=O)[O-])-c2cn3c(ccc(c3)I)n2	440
+c1ccccc1-c2nc(-c3ccc(cc3)[N+](=O)[O-])no2	2304
+c1ccccc1COC(c2ccc(cc2)[N+](=O)[O-])=O	470
+c1cc(ccc1Cc2cc3CC(Nc3cc2)=O)[N+]([O-])=O	394
+c1cc(ccc1N)C2(C(=O)c3c(cc(Cl)cc3NC2=O)Cl)C	0
+C1CS(=O)(=O)CCC1(c2ccc(cc2)N)C#N	0
+c1cc(ccc1N)C23CN(CC2C3)C(C)=O	0
+c1cc(ccc1C2=CC(c3c(O2)ccc(c3)OC)=O)N	0
+c1cc(ccc1C=2c3cc4c(OCO4)cc3CC(=O)NN=2)N	0
+c1cc(ccc1C=Cc2cnc(OCCOCCOCCO)cc2)N	0
+c1cc(ccc1CN2c3c(NC4C(CCC4)C2=O)cccc3)N	0
+c1cc(ccc1N)N2C3CCN(C)C3CC2	0
+c1cc(ccc1NC(N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2)=O)N	0
+c1cc(ccc1NS(=O)(=O)C)N	0
+c1cc(ccc1[N+](=O)[O-])OC(=O)C(C)=Cc2c(cccc2)N	11059
+c1cc(ccc1)COc2cc3nccc(Oc4ccc(cc4)[N+](=O)[O-])c3cc2	242
+c1ccccc1COc2c(cc3c(nccc3Oc4ccc(cc4)[N+]([O-])=O)c2)C#N	242
+c1cc(ccc1OC(=O)N(C)c2ccccc2)[N+]([O-])=O	2047
+c1cc(ccc1Oc2cc(Cl)ncn2)[N+]([O-])=O	185
+c1cc(ccc1OCCOCCOCCOC)N	0
+c1cc(ccc1[N+](=O)[O-])OCCOCCOCCOCCN	18
+c1cc(ccc1N)Oc2c3c(cc(OCC(O)C)cc3)ncc2	0
+c1cc(ccc1Oc2cc(OC)c(C)cc2)N	0
+c1cc(ccc1N)Oc2ccc(C)c(NC(c3cccc(C(C)(C)C#N)c3)=O)c2	0
+c1cc(ccc1N)Oc2ccc3COCc3c2	0
+CC(C)C(NC(c1ccc(-c2ccc(cc2)N)cc1C)=O)C(OC)=O	0
+c1cc(ccc1[N+]([O-])=O)-c2ccc(c(c2)C)C(O)=O	1
+c1cnccc1-c2ccc(cc2)N	0
+c1cc(ccc1Cc2ccc(cc2)[N+]([O-])=O)F	394
+c1cc(ccc1C(C(=O)O)C)N	0
+c1cc(ccc1[N+]([O-])=O)C(CO)CC	21
+c1cc(ccc1C(c2ccc(cc2)Cl)c3sccn3)N	0
+c1cc(ccc1C2C3C(CN(C(=O)CC)C3)C2)N	0
+C1C(=O)NC(CC1c2ccc(cc2)N)=O	0
+c1cc(ccc1N)C2C(C2)C(=O)O	0
+c1cc(ccc1CCN2C(=O)OCC2)N	0
+c1cc(ccc1[N+]([O-])=O)CCN2C(=O)OCC2	11060
+c1cc(ccc1N)CCS(=O)(=O)N(C)C	0
+c1cc(ccc1N)CN(C2CCN(CC2)CCC(C)C)C(=O)c3ccc(cc3)CCCCC	0
+c1cc(ccc1N)CN2C(CCc3c(ccc(OC)c23)CC4SC(NC4=O)=O)=O	0
+c1cc(ccc1[N+]([O-])=O)CN2C(CCc3c(ccc(OC)c23)CC4SC(NC4=O)=O)=O	534
+N(C=O)c1scc(C(=NOCCCC)C(=O)NC2C(=O)N3C2SCC(Cl)=C3C(=O)O)n1	1783
+c1cc(ccc1[N+]([O-])=O)COC(=O)C=2N3C(SCC=2O)C(C3=O)N	5093
+O=C(NC1C(N2C1SCC=C2C(=O)O)=O)C(=NO)c3csc(N)n3	1783
+C1CC(CCC1)ON=C(c2nc(NC=O)sc2)C(=O)NC3C(=O)N4C3SCC=C4C(O)=O	1783
+N(C=O)c1scc(C(=NOCC(OCC)=O)C(=O)NC2C(N3C2SCC=C3C(=O)O)=O)n1	1783
+c1cc(ccc1[N+]([O-])=O)COC(C=2N3C(SCC=2)C(N)C3=O)=O	5093
+CC(C)CON=C(C(NC1C(=O)N2C1SCC=C2C(O)=O)=O)c3csc(NC=O)n3	1783
+c1cc(ccc1Cc2c(c(ccc2)Cl)Cl)N	0
+c1cc(ccc1N)Cc2cn(C)c3ccc(C(=O)OC)cc23	0
+c1cc(ccc1N)Cc2nc(C)c(CC(OC)=O)c(n2)N3CCCC3	0
+c1cc(ccc1[N+]([O-])=O)Cn2c3c(cc(Br)cc3)cc2C(=O)OCc4ccccc4	470
+c1cc(ccc1[N+]([O-])=O)Cn2c(C(=O)O)cc3cc(ccc23)Br	6
+c1cc(ccc1N)Cn2c3c(c(n2)CC(=O)OC)cccn3	0
+c1cc(ccc1[N+]([O-])=O)-c2ccncc2	2036
+c1cc(ccc1N)N(C)c2nc(C)nc3c2cccc3	0
+c1cc(ccc1N2CCN3C(CCC(COc4ccc(cc4)F)C3)C2)N	0
+c1cc(ccc1N2CCC(N)C2)[N+]([O-])=O	524
+c1cc(ccc1OC(C)C(=O)O)[N+]([O-])=O	4
+c1cc(ccc1N)OC(C)CCN2CCOCC2	0
+c1cc(ccc1OCCCN(C)Cc2nc3ccccc3nc2)[N+]([O-])=O	183
+c1cc(ccc1N)Oc2c(ccc(F)c2)F	0
+c1cc(ccc1N)Oc2c3ncn(C4OCCCC4)c3ncn2	0
+c1cc(ccc1N)Oc2ccc(cc2)-c3occn3	0
+c1cc(ccc1N)Oc2cccc(S(=O)(=O)NC)c2	0
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)Nc2c(cccc2)Cl	69
+O=S(=O)(c1ccc(cc1)N)N2CCC(C)(C)CC2	0
+c1cc(ccc1S(=O)(=O)Nc2c(cccc2)Cl)N	0
+c1cc(ccc1SCCCCl)N	0
+c1cc(ccc1-c2ccc3nnc(n3c2)Sc4ccc(cc4)N)F	0
+C[Si](C)(c1ccc(cc1)Cl)Cn2ccnc2	11061
+c1cc(ccn1)-c2c(-c3cc(O)c(Cl)cc3)[nH]c(C(C)(C)CNCc4ccccc4)n2	42
+C1CC(CCN1)c2c3c(OC(C3)COC)c(cc2C)N	1413
+c1cc(ccn1)-c2c([nH]c(C(C)(C)CN)n2)-c3cc(O)c(Cl)cc3	5
+c1cc(ccn1)-c2sc3C(NC(c4ccccc4)Nc3c2)=O	11062
+c1cc(ccn1)-c2sc(c(c2)NCCCC)C(=O)O	1
+c1cnccc1-c2ccc(c(c2)C=O)O	5
+c1cc(ccn1)-c2cc(c(N)nc2-c3cc(F)ccc3)N	13
+c1cc(ccn1)-c2cc(c(s2)C(O)=O)N	1
+c1cc(ccn1)-c2c(nn(c2)C3CCN(CC3)C)-c4c(c(NS(=O)(=O)c5c(F)ccc(c5)F)ccc4)F	11063
+c1cnccc1-c2nc(Oc3c(C)cccc3)c(cn2)C(OCC)=O	185
+c1cc(ccn1)-c2c(-c3ccc(c(O)c3)N)c4nccc(n4n2)C5CC6CCC(C5)N6CC	5
+c1cc(ccn1)-c2sc(c(c2)NCC)C(=O)O	1
+c1cc(ccn1)C#Cc2ccc(cc2)O	5
+c1cnccc1-c2nc3cnc(nc3o2)Cl	11064
+c1cnccc1C(C)(c2sc(-c3cnc(F)cc3)nc2)O	5089
+c1cc(ccn1)C(O)Cn2c3c(CNCC3)c4cc(ccc24)C	1569
+c1cc(ccn1)-c2oc3c(n2)cc(cc3)OC	3137
+c1cnccc1C=2N=C(N3CC(OCc4ccccc4)CC3)N(C(=O)C=2)C	2803
+c1cnccc1-c2cc(nnc2-c3ccc4ccccc4c3)O	11065
+c1cc(ccn1)C=Cc2cc(ccc2)Nc3ncccc3N	13
+c1cc(ccn1)C=Cc2cc(ccc2)N	0
+c1cc(ccn1)C=Cc2cccc(N3c4ncccc4N=C(Cc5cnccc5)C3=O)c2	5048
+c1cnccc1CCc2ccc3c(c2)ccc(n3)NCc4c(OC)cccc4	1442
+c1cc(ccn1)CCc2c3cc(N)ccc3[nH]c2	0
+c1cc(ccn1)CN2C(COc3ccc(cc3)Cc4ccccc4)CCC2	171
+c1cc(ccc1)CN2CCC(CO)=CC2	11066
+c1cc(ccn1)N2CCC(CC2)C(Nc3ccc4[nH]nc(-c5[nH]c6ccccc6n5)c4c3)=O	804
+c1cc(ccn1)NC(c2cccc(N)c2)=O	0
+c1c(F)c(c(cc1OCC)F)Cn2c3c(c(-c4ncc(c(n4)Nc5ccncc5)O)n2)CCC3	3167
+c1cc(ccn1)OCCOc2c(cc(C(=O)N)c(N)c2)OC	0
+c1cc(ccn1)S(=O)(=O)c2c(OC)cc(N)cc2	0
+c1cc(ccn1)Sc2cnc(s2)N	1176
+c1cc(cn2C(c3c(N=c12)sc(CC)c3)=O)C#N	1014
+c1ccccc1Cc2nnc(N3CCN(c4ncc(cc4)C#N)C(C)C3)c5ccccc25	43
+C1CC(CCN1Cc2ccccc2)Nc3ncc(C(=O)OC)cc3	70
+c1cc(nc(Cl)c1OCOC)C#N	331
+C(c1ccc(-c2cc(F)ncc2)nc1)NC(=O)c3ccc(N4C(=O)C=CC=C4)cn3	5092
+c1cc(CCN)ncc1Br	51
+c1cc2cnc(CCC(OCC)=O)n2cc1Br	5094
+c1cc(ncc1Br)NC(c2cccc(O)c2N)=O	0
+c1cc(ccc1)CN(CCCN)c2ccc(Br)cn2	5045
+c1c(C)c(c(cc1Oc2cnc(OCCOC)cc2)C)-c3nc(NC(c4ccncc4)=O)sc3	706
+c1cc(ccc1-c2ccccc2)COCc3cnc(Cl)cc3	149
+O=Cc1ccc(nc1)NCc2ccncc2Cl	200
+c1ncncc1Oc2cc(nc(c2)C(=O)Nc3ccc(F)cn3)C	4760
+C(c1ccc(nn1)Cl)CCCn2nncc2	587
+C1CN(CCC1Nc2nnc(cc2)Cl)Cc3ccccc3	232
+n1nc(ccc1-n2ccnc2)Cl	11067
+c1cc(nnc1C#CCCn2nncc2)Cl	4147
+c1cc-2c(cc1)C(c3ccccc-23)C(=O)NCC(=O)NC(C4=Nc5cccc(c5C(=O)O4)C)C(C)C	3273
+c1cc-2c(cc1)C(c3ccccc-23)C(=O)NCC(=O)O	4
+c1cc2C(C#N)CCCc2c(N)c1OC	0
+c12c3c(ccc1[nH]c4c2cccc4)C(CC3)=O	1223
+c1cc2CC(Cc2cc1OC)COC	21
+C1c2c(CC1CO)ccc(c2)OC	88
+c1cc2CCC(NC(OCC)=O)C(c2cc1O)Cc3cc(c(cc3)Cl)Cl	5
+c1c2c(cccc2)[nH]c1CNC	729
+O=S(=O)(n1c2c(cccc2)cc1C(=O)OC)c3ccccc3	367
+c1cc2[nH]c3c(ccnc3C)c2cc1-c4cc(ccc4)CN	107
+c12cc(ncc1ccc(c2)F)C(=O)OC	11068
+c1cc2c(CCC(NCCC)C2)c(N)c1OC	15
+c1cc(c2cccc(c2c1)F)O	5
+c1(c(c2c(cc1)nc(C)cc2)Br)O	5
+c1cc(ccc1)CN2N=C(Cl)c3ccccc3C2=O	11069
+c1cc2c(cc(Br)cn2)cc1CO	88
+C(c1cc(Cc2ccc3c(cc(cn3)C#N)c2)ncc1)(=O)O	1
+c1cccc2c1Oc3ccccc3C2(C)CN	273
+c1cc2c(N(CC3CCCCCN23)CCN)cc1	15
+c1cc2c(nc(c(c2cc1)O)C(=O)O)Cl	5095
+c1ccc2c(c(Cl)nc(C)c2N)c1	13
+[nH]1c(C=O)cc2c1cccc2	178
+c1cc2c3c(cccc3)n(c2cc1)CCCP(O)(OCC)=O	228
+C(c1cc2c(cc1)OCCO2)O	217
+c1(C=O)cc2c(ncnc2cc1)Cl	39
+c1ccccc1COc2cc3c(cc2)ccc(C#N)c3	22
+c12ccc(c([N+]([O-])=O)c1ccc(c2)C=C)O	5
+c1cc2c(cccc2)nc1COc3cc(c(cc3)NCc4cc(ccc4)Br)N	0
+Nc1cccc2ccc(Cl)nc12	13
+c1cc(ccc1)CCNCC(COc2cccc(-c3c4ccc(cc4on3)F)c2)O	122
+c12c(cc(C#N)cc1)c3c(c(c(cc3)O)C(C)CC)o2	5
+c1cc2c3ccccc3n(c2cc1)CCCP(O)(O)=O	228
+c1(C2C(c3c4ccccc4[nH]c3)C(=O)NC2)cn5c6c(CCC5)cccc16	1781
+c1cc2cc[nH]c2cc1C3C(C=O)C3	378
+c1c2c(c([N+](=O)[O-])c(OCOC)c1)nc(CO)cc2	453
+c1cc2cnc(CCCO)n2cc1Br	44
+c1(C(C(C)N)Oc2cc3c(cc2)n(-c4cccnc4)nc3)ccc(nc1)OC	669
+c1cc2n(C3CCCCO3)nc(C=O)c2cc1I	2231
+n1c(-c2cccc(c2)C)c(c3cccc(n13)Cl)C(C#C)=O	2344
+c1(C(C(C)N)Oc2cc3c(cc2)n(nc3)-c4cccc(c4)Br)ccc(nc1)OC	669
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nc(C)no4)c2-c5ncccc5)F	40
+c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nnc(o4)C)c2-c5ncccc5)F	40
+c1(C=O)ccc2nc(SC)sc2c1	39
+c1(C=O)cc2c(cc1)nc(o2)C	39
+c1c2cccnc2ccc1C(c3n(C)cnc3)(c4ccc5nc(nc(-c6cc(ccc6)Cl)c5c4)Cl)O	11070
+c1(C=O)cc2nc(C)sc2cc1	39
+c1cc(ccc1)S(=O)(=O)n2cccc2	917
+c1ccc(c(Cl)n1)-c2c(-c3cccnc3Cl)ncs2	2190
+C(c1cnn(c1)CCF)#Cc2cc(-c3cccnc3F)ccc2	1249
+Nc1cc(C(C)Nc2cccc(Br)n2)ccc1	0
+c1cc(ccc1)COC(NCC(=O)Nc2c(cccc2)C(=O)OC)=O	33
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(c(C#N)n(C)n3)C)c1N4N=NN(C4=O)C	331
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(C)c(C(O)=O)n(C)n3)c1N4N=NN(C4=O)C	6
+c1ccc(C=C(C(=O)O)C)c(N)c1	108
+n1cc2ccc(nc2c(Br)c1)C(NCc3occc3)=O	81
+c1c(c(ccc1)Cl)Nc2ncnc(Cl)c2N	73
+Clc1c2CCCCc3c(-c2ccc1)cccc3	165
+c1cc(ccc1)-c2c3c(N(C)C(=O)N(C)C3=O)cn2-c4c(cccc4)N	4866
+C1C(CC1C(Nc2ccccc2N)=O)OCc3ccccc3	33
+c1ccccc1S(=O)(=NC(c2cncc(C#Cc3cc(NC(c4sccc4)=O)ccc3)c2)=O)C	1240
+c1(C(OC)=O)c(c(Nc2ccc3OCOc3c2)ccc1)C(O)=O	1
+Oc1c(NC(c2cn3nc(sc3n2)CC)=O)cccc1	466
+C=1COc2cccc(C(=O)OC)c2C=1	1318
+Nc1ccccc1Sc2c(C#N)cccc2	0
+c1(C(=O)O)ccccc1Sc2ccccc2N	0
+c1ccc([N+]([O-])=O)c(Sc2c(C#N)cccc2)c1	274
+c1ccc(N)c2c1n(nc2C)Cc3cccc(C)n3	0
+c1c(N)cc(cc1)OCC(=O)O	0
+c1c(N)cc(cc1)OCC2CO2	0
+c1c(N)cc(cc1)OCOC	0
+c1(C(OC)=O)c(C(O)=O)c(Nc2ccccc2OC)ccc1	1
+s1c(-c2ncc(cc2)C)nc3ccccc13	11071
+c1(c(F)cccc1)C(c2c(F)cccc2)Oc3c(cc(cc3)N)C(=O)OC	0
+CCC(CC)(c1oc2c(ccc(c2)OCc3ccccc3)c1)c4ccc(O)c(C)c4	11072
+c1cc(ccc1)COc2c(C(Nc3c(C)cccc3)=O)cc(c(OCc4ccccc4)c2)Br	50
+c1cc(C)c(Nc2nc(nc3nccnc23)-c4cc(ccc4F)Br)cc1	3871
+c1(cccc2c1CCN2)-c3noc(-c4cnc(cc4)CCC)n3	931
+Nc1cc2c(cc1OCC)ncnc2Nc3cccc(C#C)c3	0
+c1(CCl)oc(nn1)-c2cc(ccc2)C#N	1705
+c1cc(ccc1)C(c2ccccc2)CN(Cc3cccc(C(F)(F)F)c3Cl)CCCOc4cccc(C(=O)OC)c4	20
+c1c(cccc1Cl)C2(c3cc(ccc3)Cl)C4C(CNC4)C(CC2)=O	25
+c1ccc(cc1CCn2nc(cc2N)C)C=3C=CC(=O)N(Cc4cc(C(=O)OC)ccc4)N=3	161
+C(c1cc(ccc1)OCC)C(=O)O	4
+CNCc1cc(ccc1)OCSC	1172
+c1c([N+]([O-])=O)cc(cc1)Cc2cn(c3ccccc23)CCCC(OCC)=O	11073
+n1cc(cc(Br)c1)C=Cc2cccc(N)c2	0
+c1c(nc(C#N)cc1)-c2nc(ccc2)C(=O)O	1
+n1c(-c2cccc(C(OC)=O)n2)cccc1CN	421
+CC(C)=C(C(OC)=O)N1C(CC=C)C(C1=O)N	1955
+c1ccccc1C=2c3c4c(OC(C)(C)C4)c(cc3CC(CN)(C)N=2)OCC	45
+c1cc(ccc1C#N)Nc2nc(c(cn2)C#CCCCN)NCCC	45
+c1ccc2C(=O)N(C(=O)c2c1)CCCN3c4ccccc4C5(COc6cc7OCOc7cc56)C3=O	20
+C1CC(CCN1CCCN)OC	45
+C1CCCCCN1CCCN	45
+c12OCOc1cc3C4(C(N(c5c4cccc5)CCCN)=O)COc3c2	45
+c1n(CCN)cc(n1)C(=O)OC	45
+c12c(cccc1)C(=O)N(C2=O)c3c(N)cccc3	0
+Cc1c(-c2ncccc2)nc(cc1)N	1131
+Clc1cc2C(CCCN(C(c3cnc(cc3)NC(c4c(cccc4)Cl)=O)=O)c2cc1)CCN	45
+c1ccccc1-c2c(ncn2CCN)-c3ccccc3	45
+c1ccc2c(OCc3c(cccc3)C2C(C=O)CC=C)c1	24
+c1ccc2c(OCc3c(C2C(CCC)CNC)cccc3)c1	732
+c1ccc2C(C(CC=C)CO)c3c(cccc3)COc2c1	95
+c1ccc2c(c1)CC(C2)(C(=O)O)C	4
+c1cccc2CCC=3CC=CCC=3C(c12)CCO	11074
+c1ccc2CN(Cc2c1)C(c3c4c(nc(n3)N)ccc(C5(CCC5)C(O)=O)c4)=O	3
+C1(c2c(C(=O)N1C(C)(C)Cc3n4c(c(OCC(=O)OCC)ccc4)cn3)cccc2)=O	5094
+Clc1cccc(c1)C(N)Cc2ncccc2	45
+c1ccccc1COC(C(ON)Cc2ccccc2)=O	670
+C1(c2ncccc2CCC1)NCc3nc4c([nH]3)cccc4	2049
+c1ccc2c(c(C(O)=O)sc2c1)N	1
+N(C1COC2C(COC12)N)c3nc(ncc3Cl)Nc4cn(nc4)C	45
+C1(=O)c2ccccc2C(=O)N1C3Cc4c5cc(C#N)ccc5n(Cc6nc(F)ccc6)c4C3	11075
+c1ccccc1CC(N(Cc2c(cccc2)C(=O)O)S(=O)(=O)c3ccccc3OC)CN	45
+O=S1(=O)N(CC(CN)C1)CC	45
+C1C(C)N(C(CO1)C)CCN	45
+c1cccc2CCC(CO)Cc12	647
+Cn1c2c(cccc2)c(c1)C3C(C(=O)N(C)C3=O)c4c5ccccc5[nH]c4	11076
+Nc1cccc2c1ccc(n2)NC3CCc4ccccc34	0
+c12cccc(OC)c1cccc2N	0
+c1(O)ccccc1C(c2sc3ccccc3n2)=O	241
+c1ccc2c(sc(C(c3c(OCOC)cccc3)=O)n2)c1	11077
+c1ccccc1C(O)c2cc3c(cccc3)s2	2991
+c1ccc2cc(sc2c1)-c3cc(cc4c[nH]nc34)C(=O)O	1
+c1ccccc1C(c2cc3ccc(cc3c(c2)CCCNC(=O)C)OC)=O	222
+c1cccc2C(=O)N(C(=O)c12)CCCCCOCc3c4ccc5c6c(ccc(c46)cc3)ccc5	966
+c1cccc(-c2c(Cl)cccc2O)c1Cl	5
+c1cccc(-c2cc(N)cc(C(=O)OC)c2)c1OC	0
+n1cccnc1N2CCC(CC2)NC(=O)c3cnc(cc3)-c4ccccc4O	56
+c1cccc(-c2ccc(C(=O)O)cn2)c1O	1
+c1(c(OC)cccc1)C2CCCNC2	1446
+c1cccc(-c2cnc(CCCCC(=O)O)o2)c1OC	4
+c1cccc(-c2cnc(OCC(Nc3c(C(=O)O)csc3)=O)cc2)c1OC	1
+c1(-c2ccccc2O)nc3c(c(Cl)n1)cc(F)cc3	5
+c1(-c2ccccc2O)nc3ccccc3c(Cl)n1	5
+c1cccc(-c2noc(CCCCC(=O)O)n2)c1OC	4
+c1cccc(C(=O)Nc2cn[nH]c2C(NCCCC(=O)O)=O)n1	3
+c1(NC(c2c(cccc2)I)=O)nn(cc1)-c3c(nccc3)Cl	330
+c1cccc(c1O)C=2C(c3c(cc(O)cc3)OC=2)=O	5
+O(c1ccccc1OC)C(C)CN	51
+c1(onc(-c2ccccc2F)c1)C=O	2180
+c1cccc(Oc2cc(N)c(cc2Cl)F)c1OCC(OCC)=O	106
+N#Cc1cc(nc(n1)-c2ccccc2OCCC)O	331
+c1ccccc1CC(NC(CN)=O)C(=O)NCC(O)=O	2139
+c1cccc2-c3ccccc3C(c12)COC(=O)NCCOC(c4ccc(cc4)N)=O	0
+C1(=O)c2ccccc2C(=O)N1C3CCC(CC3)C4C(=O)Nc5cnc6ccc(OC)nc6c5O4	11078
+c1ccc2ccc3c4c(ccc1c24)ccc3COCCCCCN	45
+C(C)N(CCN)CCF	45
+c1(ncccc1OCCN(CC)CCN)F	45
+CC(C)N1N=C(C=CC1=O)c2c3n(ccc(OCCN)c3)nc2-c4ccccc4	45
+CC(C)COc1ccc(cc1Cn2nc(N)cc2CC)Cl	1131
+c1ccc2C(=O)N(C(c2c1)=O)CCn3c(c(-c4ccccc4)nc3)-c5ccccc5	851
+c1ccccc1-c2c3c(ccc(Br)c3)nc(c2CN4C(=O)c5ccccc5C4=O)CC(C)C	11079
+O=C1c2ccccc2C(=O)N1CCCCC(=O)c3ccccc3	851
+c1cc(ccc1)C(Nc2cc(cnc2)Br)CN3C(=O)c4c(cccc4)C3=O	332
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOCCN4C(=O)c5ccccc5C4=O	332
+c1c2c(ccc1)C(=O)N(C2=O)CCc3nnc4n3-c5ccc(cc5C(c6ccccc6)=NC4)F	332
+c12c(C(=O)N(C1=O)C(CC)C=3N=C4SCCN4C(=O)C=3Cc5ccccc5)cccc2	11080
+c1cccc2c1C(=O)N(C2=O)CC(NCCc3ccccc3)=O	11081
+c12c(C(=O)N(C1=O)CC3N(C(=O)OCc4ccccc4)CCCC3C)cccc2	332
+C1(c2c(C(=O)N1CC3CC(C3)n4cc(-c5cccc(OCc6ccccc6)c5)c7c(ncnc47)N)cccc2)=O	332
+c1ccccc1COc2ccc3c(c2)C(=C(N(CC(C)C)C3=O)CN4C(c5c(C4=O)cccc5)=O)OCCCC	3749
+CC(C)CN1C(=C(c2ccccc2F)c3cc(OCc4ccccc4)ccc3C1=O)CN5C(=O)c6ccccc6C5=O	11082
+c12c(cccc1)C(=O)N(C2=O)CCc3cc(-c4cnc(Nc5cccc(F)c5)nc4NCCC)on3	332
+C1c2ccccc2CC1(C(O)=O)NC(c3cc(OCCc4cc(C)ccc4)c(cc3)Br)=O	4
+c12CCc3ccccc3N(c1cccc2)CC(O)CN	18
+c1cc(ccn1)NC(NCCCCCCN2C(=O)C=Cc3c2cccc3)=NC#N	11083
+C(COCCN1CCN2c3ccccc3Cc4c(C2C1)cccc4)(=O)O	3
+C1CCCCC2N1c3c(NC2)cccc3	15
+c1cccc2c(cccc12)Cn3c(nc4ccccc34)SCCCC(=O)O	3
+c1cc(ccc1)COC(C2N(CCC2)C(=O)C3(c4c(cccc4)-c5ccccc35)O)=O	478
+CCC(C=CCN)=CC	1764
+c1cc(ccc1OCCN)-c2oc(nc2-c3ccc(cc3)OC)OC	45
+C1c2ccccc2CC1NCCCC3N(CCCC3)Cc4ccccc4	110
+c12ccc3ccccc3c1cc(c4c2cccc4)C	11084
+c1cccc2c1c(C=O)n[nH]2	178
+c1cccc2nc(-c3ccc(cc3OCCOCCOCCOC)N)sc12	0
+c1cc(ccc1)-c2nc(CNc3cnc4c(n3)cccc4)n(S(=O)(=O)N(C)C)c2	1284
+c1cc(ccc1)-c2c(c3c([nH]2)cccc3)C4CCNCC4	671
+c1cc(ccc1CN2CCC(CC2)n3c4c(nc3C)cccc4)-c5c(cc(c(n5)N)N)-c6ccccc6	13
+c1ccccc1-c2cc3c(nc2-c4ccc(cc4)C=O)ccnc3O	39
+c1ccc2c(c3c(c4c2cccc4)cccc3)c1	5049
+c1cc(ccc1)-c2c(ccc(CC=3C(C(OC)=C(OC)C(=O)C=3C)=O)c2)C(O)=O	1450
+c1ccccc1-c2c(C(O)=O)ccc(c2)C	1
+c1ccccc1-c2c(ccc(c2)Br)CO	98
+c1cc(ccc1)-c2c(C(=O)OC)c3cc(F)ccc3nc2C(Nc4c(c(N)ncn4)C#N)C	40
+c1cc(ccc1)COc2ccc3cc(ccc3c2)Cn4cc(CO)c(c4)-c5ccccc5	295
+c1ccccc1-c2cccc(COc3cc(c(cc3Br)C=O)OCc4cc(C#N)cnc4)c2C	751
+c1cc(ccc1)-c2c(cc(cc2)-c3nc(O)c4cc(O)c(OC)cc4n3)F	5
+c1ccccc1-c2c(N)cc(C(O)=S)cc2SCc3ccccc3	1128
+c1ccccc1-c2c(ccc(C)c2)NC#N	11085
+c1cc(ccc1)CNc2nc3ccc(c(C(O)=O)c3nc2-c4ccccc4)OC	1
+c1cc(ccc1)-c2c(Nc3c(cccc3)C(C)C)c(ccc2)N	0
+c1cc(ccc1)-c2c(ncc(c2)N)OC	13
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCCNCCCCCCC	15
+c1cc(ccc1)-c2c3c(O)cccc3[nH]c2C	11086
+C1CC(C)(C)CCC1Cc2cc(O)c(c(n2)O)-c3ccccc3	11087
+c1ccccc1-c2noc(c2-c3cn(-c4ccc(cc4)[N+]([O-])=O)c(n3)C=O)C	2287
+c1cc(ccc1)Cn2c(-c3ccccc3)c(C)c4c(cccc24)Br	190
+c1cc(ccc1)-c2c(c(C#N)c3c(c2F)oc(CNC)n3)C	62
+c1ccccc1-c2c(C(NC)=O)c3c(nc2C(Nc4c(c(N)ncn4)C#N)C)cccn3	40
+c1ccccc1-c2ccc(N)cc2OC	0
+c1cc(ccc1)-c2c(C)cc3cc(ccc3c2O)OC	173
+c1ccccc1-c2c(C(=O)O)ccc(Cc3c(C)c(c(c(OC)c3OC)OC)OC)c2	1
+c1ccccc1-c2cc(Br)ccc2C=O	39
+c1cc(ccc1)-c2c(-c3ccc(cc3)F)c(n(c2C(O)=O)C(C)C)C=O	6
+c1ccccc1-c2cn3c(nc2Cl)c4cc(ccc4n3)F	11088
+c1cc(ccc1)-c2c(sc3c2ccc(c3)O)C(c4ccccc4)=O	5
+c1cc(ccc1)-c2c(c(nc3c2cc(cc3)Br)CC(C)C)CN	45
+c1ccccc1-c2[nH]c3c4c(ccc3)C(=O)CCc24	2207
+c1cc(ccc1)-c2cc(CO)cc3c2ccc(O)c3	49
+c1cc(ccc1Cn2cc(C(OC)=O)c(c2)-c3ccccc3)OCc4ccccc4	5096
+c1ccccc1-c2c(C(OC)=O)cn(Cc3cc4c(cc3)cc(cc4)OCc5ccccc5)c2	5096
+c1ccccc1-c2cc(C=O)c(n2S(=O)(=O)c3cnccc3)C	1639
+c1cc(ccc1)-c2cc(c[nH]2)C(=O)OCC	1866
+c1ccccc1-c2cc(c[nH]2)C=O	200
+c1cc(ccc1)-c2ccc3c(NC(=O)C3)c2	1089
+c1ccccc1-c2c(C(OC)=O)ccc(c2)N	0
+c1ccccc1-c2cc([N+](=O)[O-])c(CC(=O)O)cc2	4
+c1ccccc1-c2cc(CO)c(cc2)C	41
+c1ccccc1-c2cc([N+]([O-])=O)c(cc2)CC(=O)OC	1540
+c1ccccc1-c2cc(cc(C(=O)O)c2)OC	1
+c1ccccc1-c2c3ncn(C)c3cc(NC)c2	11089
+c1cc(ccc1)-c2cnc3c(c(C(=O)NCC(=O)O)c(c(-c4ccccc4)c3)O)n2	3
+c1cc(ccc1)-c2cnc3N(C(C(=C(O)c3c2)C(OCC)=O)=O)O	1697
+c1ccccc1-c2ccc3sc(c(Nc4cc(Cl)c(F)cc4)c3c2)N	2415
+c1ccccc1-c2cc3n(CCO)c(nc3c(C)c2)CCC	44
+c1ccccc1-c2cc3n(c2)CCCC3	11090
+c1ccccc1-c2cc(c(cc2)CO)CN	11091
+c1ccccc1-c2ccc(cc2)-c3cc(Nc4ncc(C5CC5)cc4C(O)=O)cc6c3n(cc6)C	1
+c1ccccc1-c2ccc(cc2)-c3c4c(ccn4C)cc(N)c3	0
+c1ccccc1-c2ccc(cc2)CCCCCO	213
+c1ccccc1-c2ccc(cc2)C(=O)Nc3c(scc3)C(=O)O	1
+c1ccccc1-c2ccc(cc2)C(CC#N)NC(CNC(CCCCNc3ccccn3)=O)=O	207
+c1cc(ccc1-c2ccccc2)CC(NC(=O)c3c(OCc4ccccc4)ccc(c3)Br)C(OC)=O	22
+O=S(=O)(C(C(NO)=O)(CCc1ccc(cc1)-c2ccccc2)C)C	792
+c1ccccc1-c2ccc(cc2)NC(=O)CC(O)=O	3
+c1ccccc1-c2ccc(cc2)NC(=O)c3ccc(c(N)c3)OC	0
+c1ccccc1-c2nc3cc(ccc3cc2)-c4nc(n5ccnc(Cl)c45)C	4042
+c1ccccc1C(Nc2n3c(ccc(-c4ccccc4)n3)nc2)=O	1542
+c1cc(ccc1)-c2cccc(CC(O)=O)c2	4
+c1cc(ccc1)-c2ccccc2-c3c(ccc(F)c3)O	5
+c1ccccc1-c2nc(CN)n(S(=O)(=O)N(C)C)c2	102
+c1cc(ccc1)-c2c(O)c(c3c(c2)ncc(n3)-c4ccccc4)C(OC)=O	5
+C1CC(CCN1c2nc(Cl)nc3c2c(cs3)-c4ccccc4)C=O	24
+O=S(=O)(n1c(-c2ccccc2)c(c(C=O)c1)F)c3cccnc3	5072
+c1ccccc1-c2n3c(ccc(C(O)=O)c3)nc2C	1
+c1cc(ccc1)-c2n3nc(C(=O)O)ccc3nc2-c4ccc(cc4)C5(CCC5)N	6
+c1ccccc1-c2nn(cc2)C=3C=C(OCc4ccccc4)C(=O)N(C)C=3	11092
+c1ccccc1-c2onc(-c3ccc(cc3)N)n2	0
+c1ccccc1-c2nc(oc2-c3ccccc3)C4CCCCC4Cc5cc(ccc5)O	5
+c1ccccc1-c2c([nH]c(n2)SCCCCC(O)=O)-c3ccccc3	3
+c1cc(ccc1)-c2oc(c(n2)CCOC)C	21
+c1ccccc1-c2nc(C)c(C(C(=O)O)CCC)c(n2)-c3cc4NC(=O)Nc4cc3	4
+c1ccccc1-c2scc(CO)n2	11093
+c1ccccc1-c2nc(on2)C3CC(CC3)Nc4c5c([nH]nc5)ncn4	1002
+c1ccccc1-c2nc(-c3c(cccc3)N)sc2	0
+c1ccccc1-c2c(-c3ccccc3)nc4c(n2)CCCN4CCCC=CCC(=O)O	4
+c1ccccc1-c2nc(-c3cc(ccc3)N)c4c(N)c(sc4n2)C(=O)O	6
+c1cc(ccc1)-c2c(c(C(=O)NC(c3ccccc3)CC)c4c(cccc4)n2)CN=[N+]=[N-]	14
+c1ccccc1-c2c(NCc3ccccc3)nc4c(c(C(=O)OC)c(OC)cc4)n2	1284
+c1ccccc1-c2sc3c(c(ccc3)CO)n2	59
+c1ccccc1-c2sc3c(cc(C=O)c(OC)c3)n2	39
+c1ccccc1-c2nc3c(c(-c4cccc(N)c4)n2)c(c(s3)C(=O)OCC)N	0
+c1ccccc1-c2nc(c(cn2)C(=O)O)-c3ccccc3Cl	6
+c1cc(ccc1)-c2cc(ccn2)C(C)C	1382
+c1ccccc1-c2c3c(n(CC#N)n2)C(=O)N(c4ccc(cc4)Cl)C(=N3)c5ccc(cc5)C(C)C	143
+c1cc(ccc1)-c2c3c(n(C)n2)C4(C(C(C(C(C#N)C4)=O)C)CC3)c5ccccc5	11094
+c1cc(ccc1)-c2n[nH]c3c2cc(-c4cnn(C)c4)nc3	11095
+c1ccccc1-c2ccn(n2)C3=CN(C)C(C(O)=C3)=O	4733
+c1ccccc1-c2nn3ccccc3c2C=4C=CC(N(C5CC(=O)CCC5)N=4)=O	86
+c1ccccc1-c2ccc3ncc(n3n2)N	1901
+c1ccccc1-c2nnc(c3ccccc23)Cc4ccc(cc4)O	5
+c1ccccc1-c2nnc(Cc3ccc(cc3)Oc4ncccc4-c5ccnc(n5)NC)c6ccccc26	136
+c1cc(ccc1)C(N2CCN(CC2)c3ccnnc3-c4ccccc4)=O	1288
+c1ccccc1-c2oc(CCC(O)=O)nn2	4
+c1ccccc1-c2oc(C)c(n2)COc3cccc(COc4nn(cc4C=O)Cc5ccccc5)c3	576
+c1ccccc1-c2oc(C)c(n2)COc3cccc(COc4c(CO)cn(Cc5ccccc5)n4)c3	536
+c1ccccc1-c2nc(c(CCCOC)s2)C(O)=O	6
+c1ccccc1-c2sc(nn2)NC(=O)c3c(N)c4cc(cnc4s3)C(=O)O	6
+c1ccccc1-c2sc3c(c(ccc3)C=O)n2	200
+c1cc(ccc1)-c2nc3c(cc(OC)c(c3)CNC4C(NCCC4)c5ccccc5)s2	42
+c1ccccc1-c2nc3cc(c(cc3s2)OC)CO	98
+c1ccccc1-c2scc(COc3cccc4oc(cc34)-c5nc6n(c5)nc(OC)s6)n2	1963
+c1ccccc1-n2nc(C(C)(C)CO)cc2N	44
+c1cc(ccc1)-n2nccc2NC(Oc3ccccc3)=O	278
+c1cc(ccc1)-n2c(C(Nc3[nH]nnn3)=O)c(OC(C)C)c(Br)c2Br	11096
+c1ccccc1-n2c(N)c(c(SC)n2)C(On3nnc4cccnc34)=O	11097
+c1ccccc1-n2c(c(C(O)=O)cn2)CC	1
+c1ccccc1-n2c3c(nc2)ccc(C=O)c3	39
+c1ccccc1-n2c(-c3ccccc3)nc4c2ncnc4NCCC=O	24
+c1ccccc1-n2cc(C)c(CO)n2	194
+c1cc(ccc1)N2C=C(C(=O)N2)C=O	11098
+c1cc(ccc1)-n2nc(c(C=O)c2)-c3oc([N+](=O)[O-])cc3	576
+c1ccccc1-n2cc(CO)c(-c3ccc([N+](=O)[O-])o3)n2	11099
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(O)=O)CCC3)n2	3
+c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(N6CC(C6)C(O)=O)=O)CCC3)n2	4
+c1ccccc1-n2c(ncc2)-c3cc(O)ccc3	5
+c1ccccc1-n2cc(c(CCN)n2)C	51
+c1ccccc1-n2c(cc(CC)n2)NC(Oc3ccccc3)=O	278
+c1ccccc1-n2c(c(c(n2)SC)C(=O)O)N	6
+c1ccccc1-n2nc(SC)c3ccc(N)cc23	0
+c1ccccc1-n2c(cc(n2)C(=O)O)OCC(=O)N3C(CCC3)C(NCCF)=O	6
+c1cc(ccc1)COC(=O)C2CCCN2C(=O)COc3cc(C(=O)OCC)nn3-c4ccccc4	478
+c1ccccc1-n2nc(cc2OCC(O)=O)C(OCC)=O	210
+c1ccccc1C#Cc2c(NC(=O)C)n[nH]c2-c3cc(F)ccc3	1249
+c1ccccc1C#Cc2c(c(Cl)cc3nc(c(OC)nc23)OC)Cl	11100
+c1ccccc1CCC2=C(Br)C(=O)N(Cc3cc(ccc3)F)C=C2	11101
+c1cc(ccc1)C#Cc2c([nH]nc2-c3cccc(c3)F)N	1670
+c1cc(ccc1)-c2[nH]c3c(cc(c(-c4occc4)n3)-c5ccncn5)c2	3152
+c1ccccc1C#Cc2cc(c(OCCC)cc2)C(=O)O	1
+c1ccccc1C#Cc2cc(c(OC(C)C)cc2)C(NC(Cc3c4ccccc4[nH]c3)(C(=O)O)C)=O	4
+c1ccccc1C#Cc2ccc(c(C(NC(C)(Cc3c4ccccc4[nH]c3)CO)=O)c2)OC(C)C	21
+CC(C)Oc1ccc(cc1C(O)=O)C#Cc2ccccc2	1
+OB(O)c1ccc(cc1)C#Cc2ccccc2	493
+c1ccccc1C#Cc2ccc(cc2)B(O)OC	493
+c1ccccc1C#Cc2ccc(cc2)OCCc3nc(sc3)SC(C)(C)C(=O)O	4
+c1cc(ccc1F)-c2[nH]nc3c2cc(cc3)C#Cc4ccccc4	804
+c1cc(ccc1)CCc2cc3c(N=C(CC(N3)=O)c4cccc(c4)C#N)cc2	1702
+c1cc(ccc1OCOC)C(=C(CC)c2ccccc2)C(O)=O	108
+c1ccccc1C(Nc2ccc(cc2)CC(=O)OCC)=C3c4ccccc4NC3=O	5097
+c1cc(ccc1)C(O)CN(C)Cc2ccc(Cl)cc2Cl	74
+c1ccccc1C(N(C)CC(CC=O)c2ccc(Cl)c(Cl)c2)=O	24
+c1ccccc1C(=O)N(C)CCOc2ccc(cc2)CC3SC(=O)NC3=O	534
+c1cc(ccc1)-c2oc(c(C)n2)CC(=O)OCC	11102
+c1cc(ccc1)C(=O)Nc2c(N)ccc(N3CCCC3)c2	0
+c1ccccc1C(=O)Nc2ccc(c(N)c2)OC	0
+c1ccccc1C(=O)Nc2ccc(cc2)CN3C(=O)C(CCC(NO)=O)=CC3	11103
+c1ccccc1C(=O)Nc2n[nH]c3c2cc(cc3F)N	0
+c1ccccc1C(=O)Nc2nc3c(s2)cc(cc3)N	0
+c1ccccc1C(=O)Nc2sc3cc(Nc4nc(Nc5n[nH]c(c5)C)ccn4)ccc3n2	55
+Clc1cccc(OCC(F)CCC2C3C(OC(=O)C3)CC2O)c1	682
+C1COC(O1)(CCC2C(O)CC3OC(=O)CC23)COc4cccc(Cl)c4	682
+Clc1cc2c(noc2cc1)OCC(CO)N	682
+c1ccccc1C(OCOC(=O)C2Cc3c(n(C(c4ccccc4)=O)c5c3cccc5)CC2)=O	11104
+O=C(N1C(SCC1C(O)=O)c2c(O)cccc2)CCS	11105
+c1cc(ccc1)C(=O)c2c3c(sc2N)cccc3	5051
+c1cc(ccc1)-c2c3c(cccc3)nc(-c4sc(CC(=O)N)cc4)c2	11106
+c1ccccc1C(=O)c2ccc(CC(=O)O)c([N+](=O)[O-])c2	3
+c1ccccc1C(=O)c2ccc(CC(=O)OCC)c(N)c2	0
+c1ccccc1C(=O)c2cc3c(C(C(=O)O)CC3)cc2O	4
+c1ccccc1C(=O)c2cc3cc(ccc3o2)O	5
+c1ccccc1C(c2cc(C=O)c(cc2)[N+]([O-])=O)=O	1054
+c1ccccc1C(=O)c2c(O)c(c(cc2)O)CCC	732
+c1ccccc1C(=O)c2cccc(CC(N)=O)c2N	11107
+c1ccccc1C(c2ncnc(SC)c2)O	5084
+c1ccccc1C(C(=O)NC(CC(=O)OCC)c2cccc(c2)NS(=O)(=O)c3cc(N)ccc3)CC	0
+C1CC(CCN1)C(c2ccccc2)C(=O)OC	62
+c1cc(ccc1)C(c2cnc3c(cccc3OC)c2O)=O	11108
+c1cc(ccc1OCC(C)CCC)C(CN)NC(C(C)c2ccccc2)=O	18
+CC(C)(N1C(c2c(c(Cl)c(F)cc2I)C1)=O)c3ccccc3	4840
+c1cc(ccc1)C(C)(C)c2cc(C(C)(C)c3ccccc3)c(O)c(c2)-n4nc5c(n4)cccc5	4833
+c1cc(ccc1C2OCCN(C(C)c3ccccc3)C2)Br	15
+c1cc(ccc1)C(N2CC(C(c3ccccc3)=O)CC2=O)C	832
+c1ccccc1C(C)n2c3ccccc3c(C(O)=O)c2C	6
+c1ccccc1C(CC=O)c2cc(OC)cc3c2cc[nH]3	578
+c1ccccc1C(CC(OCC)=O)Cc2ccc(cc2)O	5
+c1ccccc1C(CC)C(NC(CC(=O)OCC)c2cccc(N)c2)=O	0
+c1ccccc1Cn2c(ccc2-c3ccc4cc(ccc4c3)OC)-c5ccccc5	11109
+c1ccccc1C(CCCCCNc2c(N)cnc3ccccc23)=O	13
+C1CN(CCC1CCCc2ccccc2)CCC(c3ccccc3)O	74
+C1COCCN1CC(CO)c2ccccc2	44
+c1cc(ccc1)C2COCC(N2)=O	467
+c1ccccc1C(Cc2ccc(cc2)OCCc3cccc(NC)n3)CC(OCC)=O	11110
+c1cc(ccc1)C(NCc2ccccc2)=O	93
+c1ccccc1C(=O)N2C(N(C3OC(C(OCc4ccccc4)C3)COC(=O)C)C=C(F)C2=O)=O	4229
+c1ccccc1COc2c(C)cc(OC(c3ccccc3)=O)cc2CC	1039
+c1ccccc1C(NCCc2nc(sc2)Nc3c(cccn3)OCc4ccccc4)=O	93
+c1ccccc1C(N2Cc3n(CC2)ccc3)=O	115
+c1cc(ccc1)C(OCCOc2cc(C)nc(c2)-c3nc(C)ccc3)=O	279
+C1CC(CCC1)N(CCCCCC=O)C(c2ccccc2)=O	24
+c1ccccc1C(=O)N(C)CC(CCO)c2cc(Cl)c(Cl)cc2	168
+c1cc(ccc1)C(CC)NC(c2c3n(cc2)CCOC3)=O	56
+c1ccccc1C(NCC(O)C(NC(=O)OCc2ccccc2)Cc3cc(F)cc(c3)F)COCC=C	122
+CN(C)CCOc1ccccc1NC(=S)N	401
+c1ccccc1C2COC(C(CC=CCC(C)C(=O)N2)C)=O	11111
+c1ccccc1C(c2c(cc(Cl)cc2)C)NC(Cc3cc4nc(-c5c(C)ccnc5C)oc4cc3)=O	3908
+C(N)(Nc1c(cccc1)OCCC)=S	401
+c1cc(ccc1)Oc2cc(cnc2NC(=S)N)Cl	401
+c1cc(ccc1)C(NCC(C(Cc2cc(F)cc(c2)F)N)O)COCC=C	102
+c1ccccc1C(C(=O)O)Nc2cc(Br)c(cc2)C#N	4
+c1cc(ccc1NC(c2ccccc2)=O)C=CC(=O)O	127
+c1ccccc1C(Nc2ccc(cc2)CC(=O)O)=C3c4ccccc4NC3=O	3
+c1ccccc1C(Nc2ccc(cc2)N(C)C(=O)C)=C3c4ccccc4NC3=O	5097
+c1ccccc1C(CCCCCNc2c3ccccc3ncc2[N+]([O-])=O)=O	155
+c1cc(ccc1)C(=O)CNC(=O)C	155
+c1ccccc1C(CNc2nc(nc3sc(cc23)C)C)=O	155
+c1ccccc1Cc2sc3c(cccc3)c2	1429
+c1ccccc1C(c2[nH]c3c(nccc3c2)Cl)=O	2229
+c1cc(ccc1)C(OCCOc2cccc(CN3CC(Nc4c5ccncc5ccc4)CC3)c2)=O	48
+c1ccccc1C(c2cc3c([nH]2)cncc3)=O	11112
+c1ccccc1C(=O)c2cc(Br)ccc2C(N(Cc3ccc(cc3)S(=O)(=O)C)CC(=O)CCC)=O	86
+c1ccccc1C(=O)c2cc(c(N)cc2)C=O	0
+c1ccccc1C(=O)c2cc([N+]([O-])=O)c(CC(OCC)=O)cc2	976
+c1cc(ccc1)C(=O)c2cc(Cl)c(cc2OCC(OCC)=O)OC	335
+c1cc(ccc1)C(c2c(ccc(-c3nc(ncc3)N)c2)F)=O	335
+c1ccccc1C(=O)c2cc3CCC(C(=O)OC)c3cc2O	5
+c1cc(ccc1)C(CC(=O)O)c2cc3c([nH]cc3)cc2	3
+c1ccccc1C(c2cc3cnn(-c4ccc(cc4)F)c3cc2)C(C)(C)C=O	24
+c1ccccc1C(c2ccccc2)(CN)CN(CC)CC	51
+c1ccccc1C(c2ccccc2)(CCC(OCC)=O)CC#N	783
+c1cc(ccc1)C(c2ccccc2)(CC3CCN(CC3)CCc4ccccc4)C(N)=O	28
+c1ccccc1C(c2ccccc2)=CC3CCNCC3	3039
+c1ccccc1C(c2ccccc2)(CCC(C)(C)NC)C(=O)N	25
+c1cc(ccc1)C(c2ccccc2)(CC#N)CCCO	44
+c1cc(ccc1)C(c2ccccc2)(CCN)O	51
+c1ccccc1C(c2ccccc2)(O)CCNCc3ccccc3	162
+C(OC)CC1N(CCNC1)C	3171
+N1CC2C(C(NC(Nc3cc(-c4nnnn4C)cc(CC)c3)=O)CC2)C1	3171
+c1cc(ccc1F)CC2CN(CCC2)C3C4CNCC4CC3	3171
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)CO	44
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)CN	18
+CC(C)C(O)C(CC)N	11113
+C1N(CCC1CF)C(CO)C	1454
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CCO)O	44
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCC=O	24
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCCC=O	24
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCNC(CCCCCN(C)CCN)=O	12
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(N5CCOCC5)c6c4cc(nc6CO)Cl	453
+c1cc(ccc1)C(NC(Nc2ncc3c([nH]nc3c2)NCC)=O)C	11114
+c1cc(ccc1OCCCc2cnc[nH]2)F	5098
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(COCC(=O)O)nc4	3
+c1ccccc1C(c2ccccc2)C3CCN(CC3)c4nc5c([nH]4)cccc5	4689
+c1cc(ccc1)C(c2ccccc2)CC3CCN(CC3)CCCCCCCCc4cccnc4	3040
+FC(F)(F)c1c(CBr)c(ccc1C#N)N	828
+CC(C)(C)OC(N1CC(c2c1cc(N)c3ccccc23)CCl)=O	828
+c1cc(ccc1)C(c2ccccc2)(C#N)CC3CCN(CC3)Cc4ccccc4	11115
+c1ccccc1C(c2ccccc2)C(N(CC=CCO)CC)=O	2502
+c1ccccc1C(c2ccccc2)C(Nc3c(nc(COCc4ccccc4)nc3)O)=O	1681
+c1ccccc1C(c2ccccc2)C(C(=O)NC(C)CCCC(C(OCC)=O)N)NC(OC)=O	689
+c1cc(ccc1)C(c2ccccc2)C(Nc3c(O)nc(nc3)CO)=O	118
+c1ccccc1C(c2ccccc2)C=C	4318
+c1ccccc1C(c2ccccc2)CN(Cc3c(Cl)c(C(F)(F)F)ccc3)CCCOc4ccc(cc4)C(=O)O	1
+c1ccccc1C(c2ccccc2)N(C)CCN(C)CCCCN	45
+CN(C)CC1(CNC1)F	539
+CC(C)(C)OC(NCC1(CNC1)F)=O	539
+CC(C)(C)OC(=O)NCC1(CNC1)N2CCOCC2	539
+O=S(=O)(C)NC1CNC1	539
+C1NCC1S(c2ccc(cc2)Cl)=O	539
+c1cc(ccc1Cl)SC2CNC2	539
+CC(C)(C)OC(=O)NC1CNC1CC	539
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CN	15
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CCCCN	45
+C1CC(CCN1)CCCCNC(CCc2cnccc2)=O	539
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CNC	695
+c1ccccc1C(c2ccccc2)N3CCN(CC3)C(C4C(C=O)C4)=O	24
+c1ccccc1C(c2ccccc2)N3CCN(CC3)C(=O)C4CC4CO	44
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCNc4cc(ccc4O)C	15
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCNc4ccc(C(F)(F)F)cc4N	0
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCNC	215
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOCCN	45
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4ccc(N)cc4C#N	0
+c1ccccc1C(c2ccccc2)N3c4ccc(C)cc4C5(COc6cc7OCOc7cc56)C3=O	11116
+c1cc(ccc1)C(c2ccccc2)N3C(C(c4cc(ccc34)C)c5c(cc6c(OCO6)c5)O)=O	462
+Cc1cc2c(cc1)NC(=O)C23COc4cc5OCOc5cc34	3162
+c1cc(ccc1)C(c2ccccc2)n3c4ccc(Cl)cc4cc3CCNS(=O)(=O)Cc5cc(c(cc5)Cl)Cl	4227
+c1ccccc1C(c2ccccc2)OC(C=3N4C(C(N)C4SCC=3c5cnc(NC(=O)C)s5)=O)=O	84
+n1c(sc(c1)C=2CSC3C(C(=O)N3C=2C(=O)O)NC(Cc4cccs4)=O)NC(C)=O	11117
+c1cc(ccc1)C(c2nnn(CCCCCCCCCCCC)n2)C(O)=O	3
+c1ccccc1C(n2c3nc(Cl)ncc3c(C(O)=O)c2C)C	1
+c1cc(ccc1)C(n2ccc3ccccc23)CCO	95
+C1CCCCC1(CCC(=O)O)c2ccccc2	1571
+c1ccccc1C2(CN(S(=O)(=O)c3ccccc3)C)C(C=O)C2	24
+c1ccccc1C2(CC(C2)C)c3cc(OCc4ccc5cc(ccc5n4)F)ccc3C(=O)CBr	380
+c1ccccc1C2(CNc3c2ccc(c3)C#N)C	621
+c1ccccc1C2(CCc3nnc(C)o3)CCN(C(=O)O2)C(C)c4ccc(cc4)Br	1037
+c1ccccc1C2(c3ccccc3)C=Cc4c(C2)n[nH]c4C(=O)O	6
+c1ccccc1C2(c3ccccc3)CCCN(C2=O)CC(=O)O	3
+c1ccccc1C2=C(N(C(=O)c3ccccc23)C)C=CC(O)CC(O)CC(O)=O	3
+c1ccccc1-c2c3n(ccc2)ccn3	11118
+CC1(C)Cc2c(c(cc3c2C(=NC(C)(C)C3)c4ccccc4)O)O1	5
+c1ccccc1CN2N=C(C(C(Nc3ncnc(N)c3C#N)C)=CC2=O)c4ccccc4	2596
+c1ccccc1C2CCc3c(ccc(O)c3)C2=O	5
+c1ccccc1C2c3c(C(O)C2CC)c(Cl)c(c(OCC(=O)O)c3)Cl	74
+c1cc(ccc1)C2C(N)C(=O)Nc3ccccc3O2	1584
+C1CC(CCC1CN)c2ccccc2	18
+c1ccccc1C2CCC(CC2)Nc3c(I)c(ncn3)CC	40
+c1ccccc1C2C(=O)N(CCC2)CC(O)=O	3
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+c1cc(ccc1)C2Cc3ccc(O)cc3CC2	165
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+c1cc(ccc1)C2N(C)C(=O)CC2CO	95
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+c1ccccc1C2C(CC)C(=O)c3c(Cl)c(Cl)c(OCC(=O)O)cc23	3
+c1ccccc1C=2C(=O)N(CC3CCCCC3)c4c(c(O)c(C(NCCCC(=O)O)=O)nc4)C=2	3
+c1cc(ccc1)CN2c3c(-c4cccnc4)nc(C(=O)O)c(c3C=C(C2=O)c5ccccc5)O	1
+c1ccccc1C=2CCN(CC3CC(CCC3)=O)CC=2	97
+c1ccccc1C=2CCN(CC=2)CCC#Cc3ncc(cc3)N	13
+c1ccccc1C=2CCN(CCCCN(c3cc(ccc3C(=O)O)[N+]([O-])=O)C(OCC)=O)CC=2	1
+c1ccccc1C=2N(C(C(C(C)C)N(C(C)=O)C=2)=O)CC(=O)NC(C=O)Cc3ccccc3	24
+c1ccccc1C2=C(C=CC(CC(CC(=O)OCC)O)O)N(C(=O)c3ccccc23)C	770
+c1cc(ccc1)CC(C#N)C(OCC)=O	11119
+c1cc(ccc1)CC2C(c3[nH]c4c(c3CC2)c(Cl)c(Cl)cc4)=O	4730
+c1ccccc1C=C2c3nc(C)c(cc3CCC2)CO	351
+c1ccccc1C=C2c3nc(C)c(cc3CCC2)C=O	200
+c1ccccc1C2CC(c3cc(Br)c(cc3O2)F)=O	11120
+c1ccccc1CNCCCCCCCCCCCC	1172
+c1ccccc1-c2nc3cc(ccc3o2)C	11121
+c1ccccc1CNCCOCc2ccccc2	42
+c1cc(ccc1)CNc2ccccc2C=Cc3n[nH]c4c3cccc4	208
+c1ccccc1CC(CCCCc2ccccc2)C(=O)OC	2494
+c1ccccc1COC(=O)C2C(OCC(N2Cc3ccccc3)=O)C	283
+c1cc(ccc1)COc2ccc(c3CCC(N(Cc4ccccc4)c23)=O)CC5SC(=O)NC5=O	22
+c1cc(ccc1)COC(=O)NC2CCCC(c3nc-4c(C(=O)N(C)c5ccccc-45)n3Cc6ccccc6)C2	371
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+c1cc(ccc1)Oc2ccccc2-c3nnc(SCc4ccccc4)o3	11123
+c1ccccc1COc2c(cc(cc2)Oc3ccccc3)C=O	22
+c1cc(ccc1)Cn2c(cc3nc(Cl)ccc23)-c4ncco4	5029
+c1cc(ccc1)Cn2cnc(C(c3cccnc3F)=O)c2	371
+c1cc(ccc1)Cn2c3c(nc(N)nc3cc2)O	11124
+c1ccccc1COc2cncc(c2)Br	483
+c1ccccc1CC(O)C	100
+c1cc(ccc1)CC(c2ccc(cc2)CCCC(=O)OC)O	74
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+C1CCCCC1CC(C)C(=O)O	2820
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+C1c2cscc2CN1C(CC(C(=O)O)Cc3ccccc3)=O	210
+c1ccccc1CC(C)(C)C=O	24
+c1ccccc1CC(N)(C)CO	21
+c1ccccc1CCCCC(C(O)=O)Cc2ccccc2	4
+c1ccccc1CC(CCCc2c(cccc2)C(=O)OC)N	18
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+c1cnccc1-c2nc(NCC(N)Cc3ccccc3)ccc2	340
+c1ccccc1CCN2c3c4c(cnc3CCC2)cccc4	15
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+c1ccccc1CC2CNCC(=O)N2C	15
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+c1ccccc1CCCC(C(=O)OC)C(C)O	770
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+c1ccccc1CCCC(CCCc2ccccc2)NC(=O)C3CCCCN3	255
+c1ccccc1CCCC(CCCc2ccccc2)NC(=O)C3N(C(C4NCCCC4)=O)CCCC3	255
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+c1ccccc1CCCC(C(=O)C)n2cnc3c(O)nc(nc23)Cc4cc(c(cc4)Cl)OC(F)F	86
+c1ccccc1CCCCC#Cc2ccc(cc2F)CO	217
+c1ccccc1CCCCC#Cc2ccc(C=O)cc2F	39
+CC(C)(C(=O)O)CCCCCCc1ccccc1	4
+c1ccccc1CCCCCCC=O	24
+c1ccccc1CCCCOCCC(CCC=C)=O	86
+c1ccccc1CCCCOCCC=O	24
+c1ccccc1CCCNc2nn3c(cc2)ncc3Br	232
+c1ccccc1CCCNc2cccc(Sc3ccc(cc3)CC(O)=O)c2	3
+c1ccccc1CCCOC(NC2C(=O)OC2C)=O	11125
+c1ccccc1CCCOc2c(-n3nnc(c3)C(=O)O)ccc(c2)C(=O)NCC	6
+c1ccccc1CCCc2cn(nn2)-c3sc(C(O)=O)c(C)n3	6
+c1ccccc1S(=O)(=O)N2CCC(CC2)C(=NCCc3ccccc3)c4ccc(cc4)F	1529
+c1ccccc1CCN2C3CCC2CC(C3)=C(c4ccc(cc4)C(O)=O)c5ccccc5	6
+c1ccccc1CCNC=2C(N(C(=C(N=2)Cl)C)CC(=O)O)=O	11126
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+c1ccccc1CCNC=2C(N(CC(=O)O)C(C)=CN=2)=O	11127
+c1ccccc1CCNc2ncnc3sc(cc23)C(O)=O	6
+c1ccccc1CCOCCO	21
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+c1ccccc1CCOCCC(=O)N(CC=O)C	571
+c1ccccc1CCOc2ccc(Cl)cc2CCC(=O)OCC	159
+c1ccccc1CCOc2ccc(cc2CCCO)Cl	44
+c1ccccc1CCOc2c(CCCCO)cc(cc2)Cl	21
+c1ccccc1CCS(=O)(=O)Nc2c(Oc3ccccc3OC)c(nc(-c4ccncc4)n2)Cl	570
+c1cc(ccc1C)-c2c(ncnc2NS(=O)(=O)CCc3ccccc3)Cl	570
+c1ccccc1CCc2cc(Cl)nc3ccc(cc23)C(c4ccc(cc4)Cl)=O	2298
+c1ccccc1CCc2nc(N)cc(c2)C	899
+c1ccccc1CN(Cc2ccccc2)C(C(NCc3ccccc3)=O)COC(F)F	9
+CC(C)CC(C(O)CNCc1ccccc1)NC(OCc2ccccc2)=O	122
+c1cc(ccc1)CNC(=O)C2N(CCC2)C(OCc3ccccc3)=O	9
+c1ccccc1CNC(=O)c2cc3C(O)=C(C(OCC)=O)C(N(OCc4ccccc4)c3nc2)=O	56
+c1cc(ccc1)CNCCCOCCOCCCOc2ccccc2	132
+c1cc(ccc1)CNc2c([N+](=O)[O-])c(Br)nn2CCCO	11128
+c1cc(ccc1)CNCCN2c3c(c(NC)[nH]n3)C(=O)N(CCCC)C2=O	284
+c1cc(ccc1)CNc2ncc(-c3nnn[nH]3)c(N)n2	96
+c1cc(ccc1)CN2C(COC(C)C2CC)=O	467
+C1CN(CCCC1)CCCNC	25
+c1ccccc1CN(C)c2cc(C(O)=O)ncc2	1
+C12CC(=O)N(C)CC1CC(C2)NC	25
+C1CCCC1NCC(C)(F)C(OCC)=O	25
+c1cc(c(cc1)OC)OCCNCC(O)COc2c3c4c(cccc4)[nH]c3ccc2	25
+c1ccccc1CN(Cc2ccccc2)C(C(Oc3ccc(cc3N)F)C4CC4)C(=O)O	0
+FC(F)OCC(C(=O)NCc1ccc(c(F)c1)F)N	5099
+c1cc(ccc1)CNC(C(COC(F)F)N)=O	5099
+c1ccccc1CN(Cc2ccccc2)C(C(O)=O)COC(F)F	4
+c1ccccc1CN(Cc2ccccc2)C3CC(c4n5c6c([nH]cc6)ncc5nc4)C(C)C3	4969
+C[Si](C)(C)CCOCn1c2c(n3c(ncc3C4C(C)CC(C4)N)cn2)cc1	932
+CC(C)(C1CCC(CC1)N)O	932
+c1ccccc1CN(Cc2ccccc2)C3COC(C(=O)O)CC3	4
+C1(C(=O)N)OCC(N)CC1	932
+C1CC1CN2CCN(CC2)CC(CN)OC	932
+C1CN(CCN1C)CC(CN)OC	932
+c1ccccc1CN(Cc2ccccc2)CC(OC)CN3CCN(CC3)C	352
+c1ccccc1CN(Cc2ccccc2)CC(OC)CN3CCNCC3	2
+CC(C)(CN1CCC(CC1)CN)OC	932
+c1ccccc1CN(Cc2ccccc2)CCCC=O	578
+c1cc(ccn1)-c2c(nn(c2)CC)-c3c(F)c(N)ccc3F	5065
+c1ccccc1CN(Cc2ccccc2)c3c(F)c(c(cc3)F)C(=O)c4c[nH]c5ncc(-c6cnccc6)cc45	814
+c1ccccc1CN(Cc2ccccc2)c3c4[nH]c(C(=O)OCC)cc4ccn3	4904
+c1cc(ccc1)CN(Cc2ccccc2)c3cccc([N+](=O)[O-])c3C=O	494
+c1ccccc1CN(Cc2ccccc2)c3c4[nH]c(cc4ccn3)CO	194
+c1ccccc1CN(Cc2ccccc2)c3nccc4c3[nH]c(C=O)c4	178
+CC(C)(C)OC(Nc1cc(ccc1)N2c3c(NC2=O)c(ncn3)N)=O	11129
+c1ccccc1CN(Cc2ccccc2)c3nc(C)c(C)c(NCC4(CCCCC4)O)c3N	13
+c1ccccc1CN(Cc2ccccc2)c3nccc4cc([nH]c34)C(O)c5ccccc5	5021
+c1ccccc1CN(C)c2c(F)cc([N+](=O)[O-])cc2CCO	21
+c1cc(ccc1)CN2C(=O)CC(C2)c3c4c([nH]c3)ccc5c4C=CCO5	1781
+C12C(CN(C1)Cc3ccccc3)C2(C)c4cc(N)ccc4	15
+c1ccccc1CN2C(N(CC2)c3nc(c(s3)C(O)=O)C)=O	6
+c1ccccc1CN2C(=O)c3c(cccc3)C(=N2)Cc4c(C)n(CC(=O)O)c5ccc(Cl)cc45	4
+c1ccccc1CN2CC(C)(C)CCC2CN	15
+O1C(C)C(C(OCC)=O)NCC1	3165
+c1ccccc1CN2C(C(CC)NCCN(C)C)=NC3=C(CCCN3)C2=O	11130
+c1ccccc1CN2C(=O)C(c3c[nH]c4c3c5c(cc4)OCC=C5)CC2=O	11131
+c1cc(ccc1)CN2CC(CC(O)C)(OCC2C)C	15
+c1cc(ccc1)CN2C(COCC2)CCO	95
+c1cc(ccc1C2(C(=O)N(Cc3ccccc3)CC2)C)N	1781
+C1CC(CCN1C)N2CCNC(C)C2	25
+c1(OC)cc(cc(OC)c1)N2CC(N(CC2)Cc3ccccc3)CN	15
+O(C)CCC1NCCNC1	25
+c1cc(c(cc1C2C(C(OC)=O)CNC2)Cl)Cl	25
+c1cc(c(cc1C2CNCC2C(C)Oc3ncc(C#N)cc3)Cl)Cl	25
+c1cc(c(cc1C2CNCC2C(C)Oc3ncc(cc3)Cl)Cl)Cl	25
+c1cc(ccc1)CN2CCC(C(C)N)C2	15
+c1cc(ccc1)CN2CC(C3(C2)CCCc4ccccc34)C(O)=O	3
+C1CC1(C2COC(C)(C)CN2)O	25
+c1cc(ccc1)CN2CC(C=C)C(c3cc(c(Cl)cc3)Cl)C2	2800
+c1ccccc1CN2CC(C=O)C(c3cc(c(Cl)cc3)Cl)C2	378
+c1ccccc1CN2CC(C(C2)N)c3cc(c(cc3)Cl)F	157
+C1CC12CNC(CO)C2	25
+C12=C(CCNC1)c3c(cc(OC)cc3)OC2=O	5066
+c1ccccc1CN2CC3C(c4c(C3C2)cc(cc4)OC)O	74
+C1NCC2CCC(C12)=O	25
+c1cc(ccc1)CN2CC3C(C2)CCC3O	100
+c1ccccc1CN2CC3c4c(ccc(c4)OC)CC3C2	414
+c1ccccc1CN2C(=O)C3C(C)(c4cccc(N)c4)C3C2	0
+c1ccccc1CN2CC3C(CCC3C2)=O	11132
+C12CCC(CNC1)N2C	25
+c1ccccc1CN2CC3CCC(C2)N3C	15
+c1cc(ccc1)CN2CCC(CC2(C)C)O	100
+c1cc(ccc1)CN2CCC(CC2)Nc3c(-c4nc5cc(OC)cc(OC)c5c(O)n4)nccc3	2849
+c1ccccc1CN2CCC(CC2)N(CCCCOCCO)C(C)C	15
+C1CNCCC1N(CC(=O)OCC)C	25
+C1CNCCC1N2C(=O)Nc3c(F)cccc3C2	25
+c1ccccc1CN2CCC(CC2)N3C(=O)C=Cc4c3cc(N)cc4	106
+C1CC(CCN1)NC(c2cncc(c2)C)=O	25
+c1ccccc1CN2CCC(CC2)Nc3ncccc3N	13
+C1CN(CCC1Nc2c(N)ccc(Cl)c2)Cc3ccccc3	0
+C1CNCCC1c2cc(c(cc2)Cl)C#N	25
+c1ccccc1CN2CCC(CC2)c3cc(c(Cl)cc3)C#N	274
+C1CNCCC1n2c3c(cccn3)nc2	25
+FC1(F)CNCCC1O	25
+c1cc(ccc1)CN2CCC=C(c3cccc(c3)OC)C2	252
+c1ccccc1CN2C(CCC=O)CCCC2	24
+C1CN(CCN1)Cc2nc(OCCCN(C)C)c3c(cccc3)n2	25
+c1ccccc1CN2C(CN)CN(c3ccccc3)CC2	15
+c1ccccc1CN2CCNC(C2)COCCCCCCCCCCCC	25
+c1ccccc1CN2CCN(CC2=O)c3ncc(cc3)N	13
+c1cc(ccc1)CN2C(C)(C)CNCC2	15
+N1CC(NCC1)COCCCCCCCCCCCC	25
+c1n(c2c(CNCC2)n1)-c3ncccc3	25
+c1cc(ccc1)OCc2cc3n(n2)CCNC3	25
+C(C)OC(c1n[nH]c2CNCc12)=O	25
+N1Cc2c(ncnc2CC1)O	25
+c1nc(Nc2cc(c(cc2)C)-c3cc4ccccc4cn3)c5CCNCc5c1	25
+c1ccccc1CN2CCn3cc(C=O)nc3C2	11133
+c12cc(nnc1CNCC2)Cl	25
+c1ccccc1C2=NN(C(C=C2C(C)N)=O)Cc3ccccc3	1426
+c1cc(ccc1)CN2N=C(c3ccccc3)C(=CC2=O)C(=O)C	11134
+c1ccccc1CN2c3c(O)ccc(CC4SC(NC4=O)=O)c3CCC2=O	534
+c1cc2c(cc1)C(c3ccccc3O2)(CNCc4ccccc4)C	15
+c1ccccc1CNCCc2c3c(ccc(F)c3OCC)n(c2)C	15
+c1cc(ccc1-n2c(CO)c(c(C(=O)NCc3ccccc3)n2)C(C)C)F	453
+c1ccccc1CNC(c2cc3c(N(C(C(C(OCC)=O)=C3O)=O)O)nc2)=O	1697
+C(C(CC(OCC)=O)N)c1cc(ccc1F)F	273
+c1ccccc1CNC(=O)c2sc(N3C(C=C(C=C3)C(=O)Nc4ccccc4)=O)nc2C	11135
+c1ccccc1CNC(c2c(C)nc(s2)N3CCCCC3=O)=O	11136
+c1ccccc1CNC(c2c(C)nc(N3CCCC3=O)s2)=O	11137
+c1ccccc1CNC2(CC2)c3ccc(cc3)C#Cc4ccc(cc4)C(=O)O	6
+c1ccccc1CNC2C(C)CC(CO)CC2	44
+C1C(C)C(CCN1C(=O)OC)N	273
+C1CC(CCC1O)CN	273
+c1(c(NC)nc(c(c1)F)N)F	4062
+CC1(C)C(c2c(O1)c(c(c(N)c2C)C)C)c3ccc(cc3)C	1197
+c1ccccc1CNc2c(cnc(c2)Nc3ccncc3)CC(N)=O	201
+c1ccccc1CNc2ncc(cc2)N	13
+C1C(OC)CNC(C(=O)O)C1C(OC)=O	210
+c1cc(ccc1)CN2C(C(OCc3ccccc3)=O)C(OCC2)C	15
+N1(CCOC(C(=O)O)C1)C(=O)C	210
+C(=O)(O)C=Cc1ccc(nc1)N	2882
+CN(C)CC(NC(=O)CCCCCCCOCc1cc(F)c(cc1)F)CC(=O)O	210
+c1ccccc1COC(=O)N2CCC(CC2C#N)c3ncc4c(Cl)nccn34	856
+c1ccccc1COC(=O)N2C(C#N)CC(C(=O)NCc3nccnc3Cl)CC2	9
+c1ccccc1COC(=O)N2C(CC(CC2)C(OCC)=O)C#N	143
+c1ccccc1COC(=O)N2Cc3c(CC2C#N)c4c([nH]3)cccc4	143
+c1ccccc1COC(=O)N2C(C#N)CC(CC2)C(=O)O	3
+n1c(NC(=O)c2ccc(-c3c4c(N)nccn4c(C5NCCC5)n3)cc2F)cccc1	62
+c1ccccc1COC(=O)N2C(C)CCC(C(O)C2)N	18
+c1ccccc1COC(=O)N2C(C)CCC(N)C2	18
+c1cc(ccc1F)-n2ncc3c(cncc23)C(=O)NC(CC)C4CC(NCC4)C(=O)N	679
+N1CC(CCC1)C(Nc2nc(-n3cnc4ccccc34)ccn2)C	62
+C(O)CNC(=O)C1CCCN1	679
+c1cc(ccc1Cl)Cc2c(C)noc2C3CCCN3	62
+N1Cc2c(CC1)oc(-c3ncccc3)n2	62
+C1COCCN1CC2Cc3ccccc3CN2C(=O)OCc4ccccc4	15
+c1ccccc1COC(=O)NC(C(NCCCCC=O)=O)CCSC(=O)C	24
+CC(C)C(N)C(=O)Nc1c(c(C)ccc1)C(O)=O	334
+N(C(=O)c1ccccc1O)C(C)C(N)C	102
+c1ccccc1COC(=O)NC(C(=O)NCCCCC=O)CCS	1113
+c1c(C)c2n[nH]cc2cc1CC(N)C(OC)=O	1388
+C1CCCCC1CC(N)C(=O)NCCO	334
+c1ccccc1CC(C(O)=O)NC(OCc2ccccc2)=O	4
+c1cc(ccc1)COc2c(C)cc(c(C=C(C(=O)OC)NC(OCc3ccccc3)=O)c2)Br	11138
+O=S(=O)(CC1C(CCC(C1)N(C(C)C)C)N2CCC(N)C2=O)C(C)C	334
+c1ccccc1COC(=O)NC2CCC(CN)(C)C2(C)C	51
+CC1(C)C(C)(C(=O)OC)CCC1N	102
+c1ccccc1COC(=O)NC2C(N(C(=C(C)C)C(OC)=O)C2=O)CCO	237
+C1(OC)CN(CCC1N)c2oc(c(C)n2)C(OCC)=O	102
+c1ccccc1COC(NC2CCCC(c3[nH]c4c(-c5ccccc5N(C4=O)C)n3)C2)=O	11139
+C(C)OC(=O)N1C(CC)CC(N)c2c1ccc(OC)n2	102
+C1CC(CCC1NC)O	3172
+c1ccccc1COC(=O)NC2CCC(CC2(C)C)=O	97
+CC(C)N(C1CC(C(N2CCC(C2=O)N)CC1)CCC)C	334
+C(COC1CN(CCC1N)c2cccc(c2)C(=O)OC)C	102
+C1CC1C2N(c3ccc(-c4cn(nc4)CCOC)cc3C(N)C2C)C(C)=O	102
+c1ccccc1COC(=O)NCC2CC(N3c4c(ccnc4)-c5noc(C)c5C3=O)CCC2	11140
+c1ccccc1COC(=O)NCCc2oc(cn2)CC	11141
+C1(NNC(=O)N1CCCCNC(=O)OCc2ccccc2)=O	11142
+C1(=O)n2c(nnc2N(CCCCC)c3[nH]cnc13)CCN	102
+CC(C)c1oc(CCN)nc1	102
+o1c(CCN)ncc1CC	102
+n1c2CCOCc2c(O)nc1CN	102
+O=S(=O)(NC1CCC(CC1)C)N	5100
+Nc1cccc2c1[nH]cc2C3(CC)c4ccc(cc4CC3)F	5101
+c1ccccc1COC(=O)Nc2ccc(C(O)=O)cc2Cl	1
+c1ccccc1COC(=O)Nc2ccc(Oc3cc(C(O)=O)ncc3)c(F)c2	1
+c1ccccc1COC(=O)Nc2c(cc(cc2)N)O	0
+c1ccccc1COC(=O)Nc2ccc3c(NC(=O)C(C3)C(O)=O)c2	3
+C(C)OC(=O)c1cc2[nH]c(nc2cc1)-c3n[nH]c(C)c3C(=O)O	426
+c1ccccc1COC(c2c(C(=O)c3cc(c(cc3)N)N)cccc2)=O	0
+c1(C(=O)O)cc2cc[nH]c2nc1	426
+C1CCCCC1Nc2cc(C(O)=O)ccc2C(N)=O	426
+c1cc(ccc1O)C(O)C(C)NCCOc2c(C)cc(cc2C)-c3ccc(cc3)C(O)=O	426
+c1ccccc1COC(=O)c2ccc(C(NC(C)C=O)=O)cc2C	24
+O=C(n1cc(c2ccccc12)C(=O)O)N	426
+CC1(C)C(C(O)=O)CC1NC(=O)C	210
+C(CCCC(=O)N1CCCC1C(O)=O)CCC	210
+CC(C)(c1cc(ccc1OC(CC)=O)P(CP(OCC)(OCC)=O)(OCC)=O)CC(=O)O	210
+c1cc(ccc1-c2ccc(cc2)-c3onc(C)c3CC(O)=O)C4(CC4)C(=O)OCC	210
+c1cc(ccc1)S(=O)(=O)c2ccc3c(CNC(=O)CNC)cccc3c2	679
+c1(cc2ccccc2n1CC)CNC	62
+C1CC(CCC1CCO)CNC	62
+CN(C)C1CC(C(OC)=O)NC1	5102
+c1ccccc1COC(=O)N2C(CC(CC2)(CO)N)C	95
+n1ccc(cc1NC2CCC(NC2)C)C#N	62
+c1(OC)n(c2nc(nc(N)c2n1)OCCCC)CCCC3NCCCC3	62
+n1[nH]c(C2Cc3c4ccccc4[nH]c3CN2)nn1	62
+c1cc(ccc1-c2c3c(N)nccn3c(C4NCCC4)n2)C(=O)Nc5nccc(C)c5	62
+c1cc(ccc1-c2c3c(N)nccn3c(C4NCCC4)n2)C(Nc5nccc(CC)c5)=O	62
+c1ccccc1COC(N2CC3C(=O)CC2C3)=O	86
+c1ccccc1COC(=O)N2Cc3c(oc(-c4ccccn4)n3)CC2	5103
+c1cc(ccc1)COC(=O)N2C3C(C(c4ccccc4)(CC2)O)CCCC3	1035
+c1ccccc1COC(N2CC(C(CC2)=O)NC(c3ncccc3)=O)=O	86
+O=S(=O)(c1cccc2ccccc12)c3n[nH]c4ccc(OC5CCNC5)cc34	62
+c1ccccc1COC(N2CCC34CCCCC3C2Cc5c4cc(c(N)c5)OC)=O	0
+c1ccccc1COC(=O)N2C(C(CCC2)C)CO	21
+c1c(c(-c2cc(NC(C3CNCCC3)=O)ncn2)ccc1)OC	62
+CC(C)CC(NC(c1cc2c(cccc2)o1)=O)C(NC3C(O)CNCCC3)=O	62
+c1ccccc1CC2(C(=O)NC(C(OC)=O)C(C)OC(=O)C)NCCC2	679
+c1ccccc1COC(=O)N2C3(CN(CC(O)=O)C3=O)CCC2	3
+C1C2C(Cc3c(cccc13)OC)N(C)CCO2	3172
+c1ccccc1COC(N2c3c(CCCC2)cc(N4CC(CN)OC4=O)cc3)=O	18
+c1ccccc1COC(=O)NC(C(OC)=O)Cc2cc(c3n[nH]cc3c2)C	11143
+NC(C(OC)=O)CNC(C)=O	1388
+c1ccccc1COC(NC(COCC=C)C(=O)O)=O	4
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)OC2CCC(CC2)C(O)=O	2167
+CC(C)CC(C(NC)=O)N	334
+c1ccccc1COC(NC(CO)Cc2c(ccc(c2)Br)OC)=O	21
+c1c2c([nH]cc2CC(C(=O)OC)NC(CCC(C(OCC)=O)N)=O)ccc1	1388
+CC(C)(NC(=O)OCc1ccccc1)CCO	88
+c1ccccc1COC(NC(C)C(N)=O)=O	5047
+c1ccccc1COC(=O)NC(CC#C)C(=O)NC(C(=O)O)CC(C)C	4
+C1OC(NC1Cc2cc(ccc2OC)Br)=O	11144
+c1ccccc1COC(NC(COC)CO)=O	95
+c1ccccc1COC(NC(C(O)=O)Cc2cc(Br)ccc2OC)=O	4
+c1c(OC)ccc2c1n(nc2)CC(C)N	102
+c1ccccc1COC(=O)NC(Cn2ncc3c2c4C=CCOc4cc3)C	11145
+c1ccccc1COC(NC(Cn2c3c4cc(C(=O)O)oc4ccc3cn2)C)=O	426
+C(C)OC(=O)C12CCCC(C1)(N)CC2	102
+CC(C)N(C1CCC(N2C(C(N)CC2)=O)C(C(CC)O)C1)C	334
+C1C(C(OC)=O)C(N)CC1	102
+c1ccccc1COC(NC2CCN(CC2F)c3ccc(F)cc3N)=O	0
+COC1CN(CCC1N)c2cc(OC)cc(c2)C(=O)OC	102
+C1C2(CS1(=O)=O)CC(C2)N	102
+C1CC(CCC1N)c2nc(c(-c3cc4OCOc4cc3)[nH]2)-c5nc(ccc5)C	102
+CC1(C)C(CCC(N2CCN(CC2)C)C1)N	102
+CCCCOC(=O)N1CC(CC1)N	102
+CC(C)N(C1CC(C(N2CCC(C2=O)N)CC1)NC(C)=O)C	334
+c1cc(ccc1Cl)CC2N3C(N(S(=O)(=O)c4c(cc(cc4)Cl)Cl)CC(N)C3=O)CN(C2=O)C(C)C	334
+c1(cccc(c1)C(=O)OC)N2CC(C2=O)N	334
+C1C(NC(c2nc(Cl)c(CC)[nH]2)=O)C(N)CN(C1)c3nc(C)c(C(=O)OCC)s3	102
+C1CN(CCO1)c2ccc3c(c2)C(C(C(C4CC4)N3C(C)=O)C)N	102
+c1cccc2CCC(c3nccn3-c12)N	102
+C(CN1CC(CCC1)CN)N2c3nc(OC)ccc3N=CC2=O	102
+C(N1C(=O)C=Cc2ncc(OC)cc12)CN3CC(CCC3)CN	102
+c1ccccc1COC(=O)NCCC(NCC(=O)CC)=O	86
+c1cc(ccc1)COC(NCCCCCCCCNCC=C)=O	15
+c1ccccc1COC(NCCCCN(Cc2ccc(cc2)CN(Cc3n(C)ccn3)Cc4[nH]ccn4)C)=O	566
+c1cc(ccc1CN(Cc2n(C)ccn2)Cc3[nH]ccn3)CN(CCCCN)C	102
+c12ccccc1c(ccc2OCC(O)CO)CCCCN	102
+c1cc(ccc1OCC(Nc2ccccc2)=O)CCCCN	102
+n1c(C)cc(CCCN)n1CC	102
+C(OC(=O)Nc1cc(c(N)cc1)O)C	890
+CC(C)c1ccc(cc1C)NC(c2cc(-c3cc(c(nc3)O)N)ccn2)=O	5101
+c1ccccc1COC(Nc2cc(cnc2O)-c3ccnc(c3)C(=O)Nc4cc(C)c(cc4)C(C)C)=O	104
+c12ccc(OCCOC)cc1[nH]c3c(ncc(-c4cccc(N)c4C)c23)C(=O)N	890
+c1ccccc1COC(Nc2cccc(c2C)-c3c4c([nH]c5c4ccc(c5)OCCOC)c(nc3)C(O)=O)=O	6
+n1c(ccc(c1)CCCC)N	5104
+n1c(N)cc(n1C)C(=O)OC	5104
+c1ccccc1COC(c2c(cc(C(O)=O)cc2)C)=O	1
+c1ccccc1COc2ccc(cc2C(=O)O)Cl	426
+c1ccccc1COC(=O)c2ccc(cc2)N	0
+c1ccccc1COC(n2c(nc3cc(c(Cl)cc23)Cl)-c4cc(c(cc4)OC)N)=O	0
+C(=O)(OCC)C(C(=O)OCC)Oc1c2c(ccc1)[nH]cc2	11146
+O=S(=O)(NCC=1OC(=C(OCc2ccccc2)C(C=1)=O)C(O)=O)c3cc(C)ccc3	4970
+c1ccccc1S(=O)(=O)NCC=2OC=C(C(C=2)=O)OCc3ccccc3	2422
+c1ccccc1COC2=COC(=CC2=O)CN	1426
+O=S(=O)(NCC1=CC(=O)C(=CO1)O)c2cc(C)ccc2	2306
+CC1(C)Cc2n(nc(c2C(C1)=O)CC)-c3ccc(C(=O)N)c(NC4C(O)CCCC4)c3	118
+C1C(CC1S(=O)(=O)NC=2C(=C(C(=O)N3CCSC=23)C)Nc4ccc(I)cc4F)O	118
+c1c(F)c(c(cc1-c2ccc(cc2)S(=O)(=O)C)F)OC3CCCC(O)C3	118
+O=S(=O)(c1ccccc1Cl)NCC=2OC(C=O)=C(OCc3ccccc3)C(=O)C=2	3124
+O=S(=O)(NCC1=CC(C(=C(C(O)=O)N1C)O)=O)c2cccc(C)c2	4957
+c1ccccc1COCC(C)(C)C(N(c2ccccc2)CC(O)=O)=O	3
+c1cc(ccc1)COCC2n3c(COC2)nc4cnc5ccccc5c34	2130
+NC(c1c(N)c2c(nc(nc2s1)CC(CO)C)-c3ccc(c(c3)Cl)Cl)=O	118
+c1ccccc1COCC(CCC=O)OS(=O)(=O)C	24
+c1ccccc1COCC2OCCCC2S	1113
+S(C1C(CO)OCCC1)CCCCCCCCCCCCCCCC	118
+c1cc(ccc1)COCC(CCCO)O	95
+C1OC(CC2CSC(NC12c3c(cccc3)F)=N)CO	11147
+c1ccccc1COCCC(CC=C)CO	44
+O1CCOC1C(CCC=O)CCOCc2ccccc2	24
+c1ccccc1COCCC2CCC=C(C2)CO	2569
+c1ccccc1COCCC2CCC(CC2)=O	97
+c1ccccc1COCCC2CC(COC)=CCC2	4122
+c1ccccc1COCCCCc2ccc3ncn(-c4sc(C(=O)OCC)c(n4)-c5cccc(Cl)c5)c3c2	374
+c1ccccc1COCCCCNCCC	15
+c1ccccc1COCCCC(C)(C)COS(=O)(=O)CCCN	18
+O=S(=O)(CCCNC(C)=O)OCC(C)(C)CCCO	118
+CC(C)Cc1sc(-c2onc(C(CC(Nc3c(Cl)cc(cc3)C)=O)CCCO)c2C4CC4)cn1	118
+O=S(=O)(NC=1C(Nc2c(F)cc(I)cc2)=C(C(N3CCOC=13)=O)C)C4(CC4)CCCO	118
+C1COC2(O1)COC(CCC2)(CCCCO)C	118
+c1ccccc1COCCCCN(C(=O)c2cc(C(O)=O)cc(C)c2)CCC	6
+Clc1cccc(c1)-c2nc(-n3cnc4c3cc(cc4)CCCCO)sc2C(=O)OCC	118
+C(C)OC(C1(Oc2cc(ccc2CC1)OCCCO)CC)=O	118
+c1cc(ccc1CO)CCCOCc2ccccc2	41
+n1[nH]c2c(C(N(C(=O)N2CCO)CCCC)=O)c1NC	118
+CCOC(=O)CCCCCOCCOCCOCCOCCOCCOCCO	118
+O(CCOCCOCCOCCOCCOCCO)CCOCCOCCOC	118
+c1cc(ccc1-c2c(nc(N)nc2COCc3ccccc3)N)N	0
+c1ccccc1COCc2nc(c(cn2)C(=O)O)O	6
+c1ccccc1COCc2ncc(N)c(O)n2	193
+c1ccccc1COCn2c3c(nc(nc3N)CCCC)c(c2C)CCCCO	2065
+c1ccccc1COCn2c(c(CCCC=O)c3nc(nc(N)c23)CCCC)C	24
+c1cc(ccc1)OC(=O)NOCc2ccccc2	11148
+CCOP(OCC)(=O)C(CC(O)C(O)C(CN(C=O)O)O)O	2618
+c1ccccc1CON2C(C=C(c3cncnc23)O)=O	11149
+C1CCCN1c2cc3c(C(=O)N(O)C(=O)N3c4ccc(cc4F)F)cc2F	2650
+C1CCN(C1)c2nc3N(c4c(F)cc(cc4)F)C(N(O)C(=O)c3cc2F)=O	2650
+c1ccccc1CON2C(=O)c3c(cc(F)c(c3)F)N(c4c(cc(cc4)F)F)C2=O	11150
+c1ccccc1COc2ccccc2-c3c(-c4c(ccc(Cl)c4)C(OCC)=O)cccc3	562
+c1c(ccc(c1F)NC(Nc2nccs2)=O)Oc3c4cc(C#N)c(O)cc4ncc3	16
+c1ccccc1OC(=O)Nc2c(cc(Oc3c4cc(c(cc4ncc3)OCc5ccccc5)C#N)cc2)F	90
+c1ccccc1COc2cc(ccc2C#N)-n3nccc3	926
+c1ccccc1COc2cccnc2CN	421
+c1([N+]([O-])=O)ccc(C(=O)NC(C(C)O)C(=O)NCC)c(c1)O	16
+c1ccccc1COc2c(ccc([N+]([O-])=O)c2)C(NC(C(=O)O)C(O)C)=O	4
+c1ccccc1COc2ccc(cc2C(=O)O)C=C	1
+c1ccccc1COc2ccsc2C(O)=O	1
+c1ccccc1COc2c(C(=O)O)cc3c(ccc(OCc4ccccc4)c3)c2	426
+c1ccccc1CNc2nc(c(O)c(C)c2C)C	321
+c1cc(ccc1)C(Oc2cc(c(O)c(c2)C)CC)=O	16
+Cc1c(ccc(Oc2cc(C(=O)O)ccc2)c1)O	16
+c1ccccc1COc2cc(ccc2C)C=O	39
+c1ccccc1COc2c(C=CC(O)CC(O)CC(=O)O)c(Cl)cc(c2)Cl	4
+c1ccccc1COc2c(ccc(C(C)C)c2)CC[N+]([O-])=O	364
+Oc1c(CNC(NCCO)=O)cccc1	16
+c1cc(ccc1)COc2c(cccc2C)C=O	39
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c(C#N)cnc4c3cc(N)c(OCC)c4	106
+c1cc(ccc1)COc2ccc(-n3ccc4c(c(cc(c34)Br)F)OCc5ccccc5)cc2F	1194
+c1ccccc1COc2c(cc(c(F)c2)N)F	0
+c1cc(ccc1)COc2c(N)cc3ccccc3c2	106
+c1ccccc1COc2c(OC)cc3c(oc(c3)C(=O)OCC)c2	5043
+c1(oc2cc(c(cc2c1)OC)O)C(=O)OCC	16
+c1ccccc1COc2cc(ccc2OC)CC(CC)[N+](=O)[O-]	3150
+c1ccccc1COc2cccc(C)c2N	0
+c1ccccc1COc2c3nc(n(CC)c3ccc2)C	2739
+c1ccccc1COc2ccc(cc2N)OCC#N	0
+c1ccccc1COc2ccc(cc2[N+]([O-])=O)CO	41
+CC(C)Oc1c(c2C(=O)N(CCc2cn1)Cc3c(nc(cc3C)C)O)Cl	700
+c1ccccc1COc2c(C=CC(CC(O)CC(OC)=O)O)c(Cl)cc(c2)Cl	770
+C1Cc2c(C1=O)c(c(O)c(c2)O)[N+]([O-])=O	16
+c1ccccc1COc2cc(cc(N)c2O)-c3ccc(cn3)C=C4SC(=O)NC4=O	0
+c1ccccc1COc2cc(Br)cc3c2n(CCOC)c(n3)C	2739
+CC(C)c1nc(oc1OCC)-c2c(Cl)cccc2O	16
+c1ccccc1COc2c(N)c(ncc2)N	13
+CN(C)c1c2c(ccc1O)C3CCC4(C(CCC4=O)C3CC2)C	16
+c1(cc(c(O)c(c1)F)OC)C(=O)O	16
+c1ccccc1COc2ccc(cc2C(O)(Cn3cncc3)C)Cl	2930
+c1cc(ccc1Cl)-c2c(C(NC)=O)c3cc(c(cc3o2)N(S(=O)(=O)C)c4cc(c(O)cc4)F)C5CC5	16
+Fc1c(cc(F)c(c1)N)O	16
+c1cc(ccc1)COc2cc(c(Br)cc2C(O)=O)OCc3ccccc3	1
+c1ccccc1COc2cc(c(cc2OC)Br)N	0
+c1ccccc1COc2c(C(=O)OC)cc(C=C)cc2	2864
+c1c(C)c(ccc1CC(N)=O)O	16
+c1cc(ccc1)COc2ccc(c(OCC(c3ccccc3)O)c2)OCc4ccccc4	74
+c1ccccc1COc2ccc(N)cc2CO	0
+Fc1cc(cc(F)c1OCc2ccccc2)N	0
+CC(C)(COC)C1N2C(=CC(C(C(OCC)=O)=C2)=O)c3cc(c(cc3C1)O)OC	16
+c1ccccc1COc2cc3CC(N4C=C(C(=O)C=C4c3cc2OC)C(=O)OCC)CC	2746
+c1ccccc1COc2c(cc3c(nccc3Oc4ccc(cc4)N)c2)C#N	0
+c1c(cc(c(Nc2c3c(cc(c(OC)c3)O)ncn2)c1)F)Br	16
+Clc1cc(c(Nc2c3c(cc(c(OC)c3)O)ncn2)cc1)F	16
+c1ccccc1COc2cc3c(cc2OC)nc(O)c(c3)C(=O)O	1
+Cc1ccccc1-c2ccc(C(OC)=O)nc2-c3ccc(c(c3)O)Cl	16
+c1ccccc1COc2cc(C(=O)NCC)ccc2N	0
+c1ccccc1COc2c(CCN)ccc(C(C)C)c2	157
+c1ccccc1COc2c(I)ccc(c2)CO	49
+c1ccccc1COc2c(ccc(C=O)c2Cl)O	5
+C(OC(CCc1ccc(OCCOC)cc1O)=O)C	16
+c1ccccc1COc2cc(ccc2CCC(=O)OCC)OCOC	159
+c1cccc(c1O)-c2cocn2	16
+c1ccccc1COc2c(CN)cccc2	162
+c1c(CC(OC)=O)c(c(cc1)C#N)O	16
+c1ccccc1COc2cc(cc(CO)c2O)F	2937
+c1(O)c(ccc2c1cc(C(=O)OC)[nH]2)OC	16
+C(C)OC(c1cc2c(cc(C)cc2O)[nH]1)=O	16
+c1cc(ccc1)COc2ccc(-n3ncc4c(OCc5ccccc5)cccc34)cc2F	1708
+c12ccc(cc1c(cc(CC(OC)=O)c2)O)F	16
+Clc1cc(O)c2cc(oc2c1)-c3nc4sc(OC)nn4c3	16
+n1c(cn2nc(C(C)F)sc12)-c3cc4c(cc(OC)cc4O)o3	16
+c1c2cc(OC)ccc2[nH]c1C(=O)N3c4c(C(CCl)C3)c5cccnc5c(O)c4	321
+n1c(cn2nc(sc12)OC)-c3cc4c(cccc4O)o3	16
+c1cc(ccc1)COc2cc(c(c3ccccc23)CCOC(C)=O)N	0
+CN(C)C(=O)c1cc2nc(C)n(CCOC)c2c(O)c1	321
+n1(c2c(cc(cc2nc1C)C(=O)OC)O)CCOC	321
+Cc1nc2c(cc(C)cn2c1C(=O)OCC)O	11151
+c1c2ncc(n2ccc1OCCOC)-c3nc4c(cc3)cccc4O	321
+c1c(cccc1-c2cc(O)c3nc(cc(O)c3c2)C(OC)=O)C	321
+c12c(cccc1n(c(C)n2)CC)O	321
+C1CCC(C1)S(=O)(=O)c2cc(c(O)c3c2cccn3)Cl	321
+c1ccccc1COc2cc(c(OC(C)C)cc2)-c3nc4c([nH]3)cc(cn4)C=O	200
+c1ccccc1COc2cc(-c3c4c(N)ncnc4n(c3)C5CC(C5)C(O)=O)ccc2	4
+c1c(OC)c(cc(-c2c3c(n(c2)-c4cc(ccc4)OCCn5ccnc5)ncnc3N)c1)O	16
+c1ccccc1COc2cc(-c3cn(c4ncnc(N)c34)-c5cccc(OCCn6cncc6)c5)ccc2OC	871
+c1ccccc1COc2cc(-c3[nH]c4ncc(CO)cc4n3)c(cc2)OC(C)C	351
+c1ccccc1COc2cc(C(=O)c3ncc(C)s3)c(OC)cc2	11152
+c1cc(ccc1)COc2cc(c(C=C(OCC)C(OCC)=O)cc2)C	11153
+c1ccccc1COc2cc(C=O)c(N)cc2OC	0
+c1ccccc1COc2cc3CC(CC)N=Cc3cc2OC	2742
+c1cc(ccc1)COc2cc(c3cc(C(OCC)=O)[nH]c3c2)Cl	4592
+c1ccccc1COc2cc(Cl)cn3ncc(CO)c23	11154
+c1ccccc1COc2c(N)ccc(I)c2	0
+c1ccccc1COc2cc(N3c4c(C5(CC5)C3)c(C)nc(n4)-c6ccc(OC)c(c6)F)ccc2	15
+C1CC12c3c(C)nc(-c4ccc(OC)c(c4)F)nc3N(C2)c5cccc(O)c5	16
+c1(ccc(C)n1-c2cccc(n2)-c3cc(CC)c(cc3OC)O)C	16
+c1ccccc1COc2c(ccc(c2)OCCOC)CCC(=O)OCC	159
+c1ccccc1COc2cc3onc(N)c3cc2	11155
+Cc1cc(cc(C)c1Oc2ccc(OC)c(O)c2)[N+]([O-])=O	16
+c1ccccc1COc2c(cc(C(=O)C)c(c2)N)OC	0
+c1ccccc1COc2cc([N+]([O-])=O)c(c3ccccc23)CCO	44
+c1ccccc1COc2cc(ccc2NC(C)=O)N	0
+c1c(ccc(CC(OCC)C(OC)=O)c1CC)O	16
+c1c(F)c(c(cc1)F)C(Nc2nn(cc2)Cc3c(cc(O)cc3)Cl)=O	16
+c1(ccc(C)n1-c2cccc(-c3ccc(cc3C4CC4)O)n2)C	16
+CC(C)(C(OC)=O)Oc1c(C)cc(cc1)O	16
+c12c(Oc3cc(O)cc(OC)c3C1=O)cccc2	16
+c1ccccc1COc2cc(CO)cc(F)c2OC	98
+Cc1cc2c(cc(C(=O)N)[nH]2)c(c1)O	16
+c1ccccc1COc2cc(ccc2)-c3c(cc(cc3)Cl)N	0
+c1nc(ncc1Br)Nc2cccc(OCc3ccccc3)c2	55
+N=C(Nc1cccc(c1)O)N	16
+c1cc(-n2nccc2)cc(c1C#N)O	16
+c1ccccc1COc2cc([N+]([O-])=O)ccc2C(=O)O	1
+c1(cccc(c1)C(=O)N)N2C(CC(c3c(cc(OC)cc3)O)C2)=O	16
+C(OC(CCc1ccc(cc1O)OCOC)=O)C	16
+c1ccccc1COc2cc(cc3c(O)cc(C(OC)=O)nc23)Br	11156
+c1ccccc1COc2cc(ccc2O)CC(O)=O	3
+c1ccccc1COc2cc(ccc2OC)C3CNC(=O)C3	11157
+C1NC(=O)CC1c2ccc(OC)c(c2)O	16
+c1ccccc1COc2cc(ccc2OC)CC(CC)N	157
+c1ccccc1COc2cc(N)ccc2OCCOC	0
+c1ccccc1COc2c([N+]([O-])=O)ccc(c2)CO	41
+c1ccccc1COc2cc(ccc2N)CC(C(=O)CC)C	0
+c1ccccc1COc2cc(cnc2Nc3scc(C)n3)CC=O	11158
+c1ccccc1COc2cc(cnc2Nc3scc(C)n3)C=COC	5008
+c1ccccc1COc2ccc3C(=O)N(CC(C)C)C(=C(c4ccccc4F)c3c2)C(O)=O	127
+c1ccccc1COc2cc3C=CCc3cc2	1358
+c1ccccc1COc2c(cc3C4=CC(C(C(OCC)=O)=CN4C(C(C)(C)COC)Cc3c2)=O)OC	2746
+C1(C(=O)OCC)=CN2C(CC)Cc3c(cc(OC)c(c3)O)C2=CC1=O	16
+CC1(C)c2ccc(O)cc2OC1	16
+c1ccccc1COc2cc3C(CCc3cc2)O	74
+c1cc([N+]([O-])=O)cc(F)c1Oc2c3c(ncc2)cc(c(OC)c3)O	16
+c1(cc2c(c(C#N)cnc2cc1F)Cl)O	16
+O(C)CCOc1cc2ncc(C#N)c(c2cc1O)Cl	16
+c1ccccc1COc2ccc3ncc(c(NC)c3c2)N	13
+c1c2c(ccc1O)n(cc2)C	16
+c1ccccc1COc2ccc3c(n(C4OCCCC4)nc3C=O)c2	178
+c1ccccc1COc2nn3CCNCc3c2	729
+c12nc(sc1c3ccc(cc3nc2)O)CCC	16
+c1([nH]nc(c1)Nc2c3ccc(cc3ncn2)O)CC(Nc4cccc(c4F)F)=O	16
+c1(cc(c(cc1)O)C#N)-c2cc(ccn2)C(=O)OC	16
+c1ccccc1COc2cc3OCC(C)(C)c3cc2	11159
+O=S(=O)(Nc1c(OCc2ccccc2)ccc(C(CBr)O)c1)C	74
+c1ccccc1COc2ccc(C(O)CN3CCC(CC3)(c4ccc(OC)nc4)O)cc2F	74
+c1ccccc1COc2ccc(C(O)CN)c3SC(Nc23)=O	18
+C1CN(CCC1(c2ccc(OC)nc2)O)CC(O)c3cc(F)c(O)cc3	16
+c1ccccc1COc2ccc(C)c(c2F)C(O)=O	1
+c1ccccc1COc2ccc(cc2CC)O	1437
+c1ccccc1COc2ccc(cc2N)CCN	51
+c1ccccc1COc2ccc(CC#N)cc2N	0
+Clc1cc(C(Nc2nnn[nH]2)=O)c(cc1)O	16
+c1ccccc1COc2ccc(Cl)cc2Cn3ncc([N+]([O-])=O)c3	309
+c1ccccc1COc2ccc(Cl)cc2Cn3nc(cc3C)C#N	331
+c1ccccc1COc2ccc(cc2Cn3ncc(N)c3)Cl	209
+c1cc(cc(F)c1OC(C)C(OCC)=O)O	16
+c1ccccc1COc2cc(c(-c3c(ccc(C(C)C)c3)OC)cc2)CO	41
+c1ccccc1COc2cc(c(CC(C(=O)OC)OCC)cc2)CC	3168
+c1cc(ccc1)COc2cc(ccc2CO)OCc3ccccc3	41
+c1c(F)c(c(cc1)F)C(Nc2nn(cc2)Cc3c(C)cc(cc3)O)=O	16
+c1c(F)c(c(cc1)F)C(Nc2ccn(Cc3c(ccc(O)c3)Cl)n2)=O	16
+c1ccccc1COc2c(c(N)c(C#N)cc2)OC	0
+c1cc(ccc1-c2n(-c3ccc(Cl)cc3Cl)nc(C(=O)OCC)c2C)O	16
+c1ccccc1COc2cc3c(c4c(c(cc(Br)n4)C(=O)OC)[nH]3)cc2	5075
+c1cc(ccc1)Cc2ccc(cc2)OCCCn3c(-c4ccc(cc4)OCc5ccccc5)ccc3C	20
+c1cc(ccc1-c2n3nccc3nc4CCCc24)O	16
+C1CCCCN1NC(c2nc(n(c2C)-c3ccc(cc3)O)-c4c(Cl)cc(cc4)Cl)=O	16
+c1cc(ccc1-n2c(c(nc2-c3ccc(cc3Cl)Cl)C(=O)OCC)C)O	16
+c1ccccc1COc2ccc(cc2)-n3c(-c4c(Cl)cc(cc4)Cl)nc(C(=O)O)c3C	6
+c1cc(ccc1C(Cc2ccncc2)=O)O	16
+c1cc(ccc1C(CO)CO)OCc2ccccc2	1257
+c1cc(ccc1-c2nc(on2)-c3ccc(cc3)OCc4ccccc4)Oc5ccncc5	2304
+c1cc(ccc1C(NCCC(=O)OC)=O)O	16
+c1ccccc1COc2ccc(cc2)C(CNC3CCc4c(C3)cc(cc4)O)O	15
+c1cc(ccc1C2(CC2)c3nc4c(nc(-c5c(F)cc(cc5)CN6CC(C6)C(OC)=O)s4)cc3)O	16
+c1ccccc1COc2ccc(cc2)C3(CC3)c4nc5c(nc(-c6c(F)cc(cc6)C=O)s5)cc4	2910
+c1cc(ccc1C2=CC=CN(C2=O)C)O	16
+c1cc(ccc1C2C(F)(F)CN(CC2)C3C(N(Cc4cc(c(C)cc4)F)CC3)=O)O	16
+c1cc(ccc1CC2OC(C)(C)OC2=O)O	16
+c1ccccc1COc2ccc(cc2)CCCN	51
+c1cc(ccc1CCCN)O	16
+C1C(CC1)(C2=NCCc3ccc(OCc4ccccc4)cc23)c5c(cc(cc5)Cl)OC	1120
+c1cc(ccc1O)Cc2cc(-c3cccnc3N)on2	16
+c1cc(ccc1O)Cc2noc(c2)-c3ccc(N)nc3N	16
+c1ccccc1COc2ccc(cc2)Nc3ncnc4cnc(cc34)-c5nnc(o5)C	73
+c1ccccc1COc2ccc(cc2)N(c3ccc(cc3)C(COC)C)C	21
+c1ccccc1COc2ccc(cc2)N(C)c3ccc(cc3)C(CCN)C	51
+c1ccccc1COc2ccc(cc2)N(C)c3ccc(cc3)C(C)CO	88
+c1cc(ccc1O)N2c3c(N(C(C)C)C2=O)cccn3	16
+c1ccccc1COc2ccc(cc2)N3CC(CC3=O)COC	21
+c1cc(ccc1O)N2C(N(c3cccnc23)CC)=O	16
+c1cc(ccc1N2CC(CO)CC2=O)OCc3ccccc3	88
+c1cc(ccc1Oc2nc(ncc2)Cl)OCc3ccccc3	185
+c1cc(ccc1OCCBr)O	16
+c1cc(ccc1OCCCc2ccc(cc2)OCc3ccccc3C(OC)=O)O	16
+c1ccccc1COc2ccc(cc2)OCCCc3ccc(cc3)OCc4c(C(=O)O)cccc4	1
+c1ccccc1COc2ccc(Cl)cc2C(=O)Nc3[nH]nnn3	4713
+CCC(CC)(c1ccc(O)c(c1)C)c2oc3c(ccc(C(=O)OC)c3)n2	16
+c1ccccc1COc2ccc(N)cc2Cl	0
+c1c(cc2n(ncc2c1O)-c3cc(F)c(cc3)O)F	16
+c1(ccc(OC)nc1C(=O)OC)O	321
+c1ccccc1COc2cc3c(C(N(CC(C)C)C(CO)=C3OCCCC)=O)cc2	3747
+c1ccccc1COc2cc3c(C(N(C(CO)=C3c4c(F)cccc4)CC(C)C)=O)cc2	11160
+c1ccccc1COc2ccc3OC(C)(C)CC(O)c3c2	74
+c1ccccc1COc2cc3C=CC(C)(C)Oc3cc2	1358
+c1ccccc1COc2ccc3c(c2)c4n(c(nc4c(n3)N)CC)C	445
+c1c2cc([nH]c2ccc1O)CC(C)C(OC)=O	16
+c1ccccc1S(=O)(=O)n2c3ccc(OCc4ccccc4)cc3cc2	367
+c1ccccc1COc2ccc3c(nc(N)c4c3n(c(n4)COC(C)=O)CC(C)(C)O)c2	445
+n1(c2ccc(O)cc2c(C(=O)C)n1)CC(OC)=O	16
+c1(n(c2c(c(N)nc3ccc(O)cc23)n1)C)CC	16
+c1ccccc1COc2ccc3c(ncc4c3C(O)CCC4)c2	59
+c1cc2c(cc(cc2)C(=O)O)cc1O	16
+c1c2c(n(CC(OCC)=O)cc2)ccc1O	16
+Clc1cccc(c1)-c2c(C(=O)N)sc(-n3cnc4c3cc(cc4)O)n2	16
+c1ccccc1COc2ccc3c(n(cn3)-c4nc(c(C(=O)O)s4)-c5cc(ccc5)Cl)c2	6
+C1CCCN1c2cc(C)nc3c2ccc(O)c3	16
+O=S(=O)(C)NC(C)(C)Cn1c2c3c(ncc2nc1COCC)cc(O)cc3	16
+c1ccccc1COc2cc3n(C4OCCCC4)nc(CO)c3cc2	194
+c1ccccc1COc2ccc3n(CCC(=O)O)ccc3c2	3
+c1c2c(ccc1O)n(CCC(OC)=O)cc2	16
+c1c2cc3C(=O)NCC(n3c2ccc1O)C	16
+C1CC(CCC1)C(c2oc3c(c2C)cc(OCc4ccccc4)cc3)O	11161
+C1CCC1(Oc2cc(-c3cccc(O)c3)ccc2)C(=O)OCC	16
+c1ccccc1COc2cccc(C3CC(=O)NC3)c2	1980
+c1cc(ncc1Br)NC(c2cccc(c2[N+]([O-])=O)O)=O	16
+c1ccccc1COc2cc(ccc2)C=CCO	5083
+c1ccccc1COc2cccc(C=O)c2C	39
+c1ccccc1COc2cccc(F)c2N	0
+C1COCCN1c2nc(nc3c2[nH]cc3)-c4cc(ccc4)OCc5ccccc5	4161
+c1ccccc1COc2cccc(CO)c2C	49
+c1(cc(c2cccc(c2n1)O)OCC(OCC)=O)C	321
+c1(cc(c2cccc(c2n1)O)C(=O)OCC)C	321
+C(C)OC(c1n(c2cccc(c2c1)O)C)=O	16
+c1cc(ccc1Cc2c(OCc3ccccc3)cccc2)CO	49
+c1ccccc1COc2c3n(ccc2)cnc3	1905
+c1ccccc1COc2c(cncc2)N	13
+c1ccccc1COc2nc(C)cc(C)c2CN3C(c4c(CC3)c(cc(C(CC)O)c4Cl)Cl)=O	74
+c1(nc(O)c(c(C)c1)CN2C(=O)c3c(CC2)c(Cl)cc(c3Cl)C(OC)CC)C	700
+c1ccccc1COc2cc3n(CCNC3=O)n2	780
+c1cc(ccc1N2C(C=3N(CC2)NC(=O)C=3)=O)F	11162
+c1cc(ccc1F)C(N2CC=3N(NC(=O)C=3)CC2)=O	11163
+c1ccccc1CS(=O)(=O)NC2=CN(C(=O)N(CC(=O)O)C2=O)COC	3
+c1ccccc1CS(c2ccc(c([N+]([O-])=O)c2)N)=O	106
+c1cc(ccc1)CS(=O)c2ccc(N)c(N)c2	0
+c1ccccc1CSC(CCC)(C)CCO	44
+C(C)CC(C)(CCO)S	11164
+c1ccccc1CSc2c(cc(N)cn2)C(C)C	13
+c1ccccc1CSc2nc(N)c(c(Cl)n2)N	193
+Nc1sc2c(nc(nc2n1)S)NC(C)CO	11165
+c1cc(ccc1)Cc2c(nnn2-c3c(cccc3)F)C(O)=O	1
+c1ccccc1Cc2nnc(N3CCN(C(C)C3)c4ncc(nc4)C(=O)OC)c(c2C)C	317
+c1ccccc1Cc2c(ccc(CO)c2)F	41
+c1ccccc1Cc2c(ccc(-c3ccc(CCC#N)cc3CC(C)C)c2)O	5
+O=S(=O)(N)c1cc(cc(SC)c1Cc2ccccc2)CO	217
+c1cc(ccc1)Cc2c(Oc3c(cc(F)cc3)C(C)O)nc4c(cc(cc4)NC(Nc5cccc([N+](=O)[O-])c5)=O)c2	74
+C1CN(CCN1c2ccc(N)cn2)c3nnc(c4ccccc34)Cc5ccccc5	13
+C1CN(CCN1c2ncc(cn2)C#N)c3nnc(c4ccccc34)Cc5ccccc5	117
+c1ccccc1-c2cn(-c3ccc4c(cc(Cc5ccccc5)c(n4)Oc6c(cc(F)cc6)C(C)O)c3)nn2	74
+c1ccccc1Cc2cccc(c2)-c3nc(c(N)c(n3)O)N	11166
+c1ccccc1Cc2nc(no2)CCCN3C(N(CCCC)c4c([nH]c(Cl)n4)C3=O)=O	3251
+c1ccccc1Cc2nnc(N3CCN(C(C)C3)c4ncc(nc4)C(=O)O)c(c2C)C	1
+c1ccccc1Cc2onc(C(=O)O)c2	6
+c1ccccc1Cn2c(ccc2-c3ccc4c(ccc(OCC(O)=O)c4)c3)-c5ccccc5	4
+c1ccccc1Cn2c(-c3cc4ccc(O)cc4cc3)ccc2-c5ccccc5	5
+c1ccccc1Cn2c3c(c4c2ccc(C)c4)c(ccc3)OCCNC	695
+c1ccccc1Cn2c3c(cc2C)c(O)ccc3	5
+c1ccccc1Cn2c3c(c(C(N)=O)ccc3)c4c2cccc4OCC(O)=O	4
+c1ccccc1Cn2c3c(cc(OCCCC(O)=O)cc3)c(CC(=O)N)c2	3
+c1ccccc1Cn2c3c(O)ncc(Br)c3cc2C(OCC)=O	3107
+c1ccccc1Cn2c3cc(cc(C(N)=O)c3c4cc(O)ccc24)-c5c(C)noc5C	5
+c1ccccc1Cn2c3c(c(C(O)=O)cc(c3)-c4c(C)noc4C)c5cc(ccc25)OC	1
+c1ccccc1Cn2c3c(c4c(cccc24)OCCN)cc(C)cc3	51
+c1ccccc1Cn2c3c(cc2C)c(O)ccc3	16
+c1ccccc1Cn2c(CC)cc3c(O)cccc23	5
+c1ccccc1Cn2cc(c3cc(ccc23)OC)CC(=O)N	4674
+c1ccccc1Cn2cc(c3cc(O)ccc23)CC(=O)N	5
+c1cc(ccc1)Cn2c(cc(n2)OCCC)CCC(OCC)=O	1253
+c1cc(ccc1)Cn2ncc(c2C(=O)O)C(OCC)=O	6
+c1ccccc1N(C(=O)CC)C2CNCCC2	25
+c1cc(ccc1)N(CCNC)c2cccc3[nH]ccc23	15
+c1ccccc1N2C(C=3C(C(C(O)=O)=CNC=3)=N2)=O	108
+c1cc(ccc1)N2C(=O)c3c(C(=N2)CC(O)=O)c4c(cccc4)n3C	992
+c1cc(ccc1)N2CCN(CC2)CC(=O)Nc3cccc(-c4cnc5c(n4)cccc5)c3	224
+C1CCCCCC1(N2CCC3(CC2)C(NCN3c4ccccc4)=O)c5ccccc5	11167
+c1ccccc1N2N(C(=C(C(Nc3ncc(Oc4ccnc(N)c4)cc3)=O)C2=O)C)C	1779
+c1ccccc1OC(=O)Nc2nccc(Oc3ccc(NC(=O)C=4C(=O)N(c5ccccc5)N(C=4C)C)nc3)c2	278
+c1ccccc1N2N=C3C(CCc4c3cc(N)cc4)CC2=O	0
+C1CC(CCN1CCNc2ccccc2)OCOC	15
+c1ccccc1NC(c2cc(c(cc2)N)[N+](=O)[O-])=O	0
+c1cc(ccc1)NC(c2ccc(N)c(N)c2)=O	0
+c1ccccc1NC(=O)c2nccc(N3CC(CC3)=O)c2	86
+c1cc(ccc1)NC(C(=O)O)c2cccc(c2)F	4
+c1ccccc1NC(c2cccc(c2)C3Nc4c(C(C)(C)C3)cc(C(=O)O)cc4)=O	6
+c1ccccc1NC(c2ccnc(c2)O)=O	104
+c1ccccc1NCCn2c3ncnc(c3c(-c4cc(cc(O)c4)F)n2)N	5
+c1cc(ccc1)N(Cc2cc(O)nc3ccccc23)Cc4occc4	507
+c1cc(ccc1)Nc2cc(C(O)=O)ccc2C(O)=O	11168
+c1cc(ccc1)Nc2ccc(C(O)=O)cc2N	0
+CC1(C)c2c(-c3ccccc13)cc4c5ccccc5[nH]c4c2	11169
+c1ccccc1Nc2cccc(c2CN)-c3ccccc3	107
+c1cc(ccc1)Nc2ccccc2O	5
+c1ccccc1Nc2cnc(C(NCC(=O)O)=O)cc2	3
+c1ccccc1Nc2nc(cc(CO)n2)C	88
+c1cc(ccc1)Nc2nc(ccc2C(NC)=O)CCCCNC(NCc3cccnc3)=O	587
+c1ccccc1Nc2ncccc2N	13
+c1ccccc1Nc2nn(cn2)-c3cc(N)ncc3	755
+C1CN(CCC1N(C(Nc2cc(ccn2)Oc3cc(c(NC(C4(CC4)C(Nc5ccccc5)=O)=O)cc3)F)=O)C)CC	2562
+c1ccccc1OC(Cc2ccc(cc2)OCCNC(=O)c3ccc(cc3)-c4ccccc4)C(O)=O	3
+c1ccccc1OC(Cc2ccc(cc2)OCCN)C(OCC)=O	18
+c1cc(ccc1)OC(=O)Nc2cccc(C#Cc3cnc(nc3)N)c2	90
+c1ccccc1OC(Nc2cccnn2)=O	278
+c1ccccc1OC(=O)Nc2cnc(C#N)cn2	2205
+n1cc(cnc1Cl)C#Cc2cccc(c2)NC(=O)Oc3ccccc3	90
+c1cc(ccc1)OC(Nc2cc(-c3cnco3)cc(c2)-c4cnco4)=O	90
+C1CN(CCC1Cc2ccccc2)C(C(=O)c3ccc4c(c3)sc(N)n4)COc5ccccc5	155
+c1ccccc1OCC2CCC(CC2)N(C(Nc3ncc(SCC(O)=O)s3)=O)C4CCCCC4	3
+c1ccccc1OCC2OCCN(S(=O)(=O)c3c4c(c(cc(c4)Cl)N)[nH]c3C(=O)OCC)C2	13
+c1ccccc1OCCC(CO)N	95
+c1ccccc1OCCC2CN(C)CCN2	2062
+c1ccccc1OCCCCC(C(OCC)=O)C	2283
+c1ccccc1OCCCCC(CO)C	21
+c1ccccc1OCCCCC(C(O)=O)C	3
+c1ccccc1OCCCCCC(c2oc(-c3ncccc3)cn2)=O	11170
+c1ccccc1OCCCCCCCCCCCO	21
+c1ccccc1OCCCCCOc2cc(ccc2)N	0
+c1ccccc1OCCN(c2c(C(O)=O)nc(-c3ccc4OCCN(C(=O)Nc5nc6c(cccc6)s5)c4c3)s2)C	6
+c1ccccc1OCCNc2c(N)cnc3ccccc23	13
+c1cc(ccc1)Oc2c(ncc(Br)c2)NC(=S)N	401
+c1ccccc1Oc2cc3c(OC(=CC3=O)C(=O)O)cc2NS(=O)(=O)C	108
+c1cc(ccc1)Oc2c(Br)ccc(c2N)O	0
+c1ccccc1Oc2ccc(cc2N)F	0
+c1ccccc1Oc2c(cc(N)cc2)C	0
+c1cc(ccc1)Oc2ncccc2N	13
+c1ccccc1Oc2c(ccc3c2CCC(C)N3C(=O)C4CC4)-n5cccn5	901
+c1ccccc1Oc2ccc3CC(C(=O)c4oc(cn4)-c5nc(C(=O)OC)ccc5)CCc3c2	11171
+c1cc(ccc1CCC(S(=O)(=O)C)(C)C(=O)O)Oc2ccccc2	3
+c1ccccc1Oc2ccc(cc2)COc3c(F)cc(cc3)CCC(O)=O	3
+c1ccccc1Oc2ccc(Cl)cc2N	0
+c1ccccc1Oc2c(N)cc(cc2)O	0
+c1ccccc1Oc2ccc3CC(C(=O)c4oc(cn4)-c5nc(C(=O)O)ccc5)CCc3c2	1
+c1ccccc1Oc2cccc(c2)C(CO)C#N	237
+c1cc(ccc1)Oc2cccc(c2N)CC(=O)OCC	0
+c1cc(ccc1)Oc2cccc3NC(C)CCc23	2648
+c1ccccc1Oc2c(cccc2)Cn3ccc(C(=O)O)n3	6
+c1ccccc1Oc2ncc(cn2)-c3[nH]nc(c3)C(O)=O	6
+c1ccccc1Oc2nccc(n2)C(=O)O	1
+c1ccccc1P(c2ccccc2)c3ccc4ccccc4c3-c5c(ccc6ccccc56)NS(=O)(=O)C	11172
+c1cnccc1-c2ccnc3ccc(cc23)C=CC(=O)OC	530
+O=C(OCC)C(C)=Cc1ccc([N+]([O-])=O)cc1F	11173
+c1ccccc1S(=O)(=O)C2CN(C(C(=O)O)C2)c3cc(C)nn3-c4cc(Cl)ncc4	4
+c1cc(ccc1)S(=O)(=O)CC(=O)Cn2cncc2	5088
+c1cc(ccc1)S(=O)(=O)Cc2c(N)ccc(c2)N3CCN(CC3)Cc4ccccc4	0
+O=S(=O)(c1ccccc1)Nc2cc(cnc2)Br	322
+C1CN(CCC1C(c2ccc(cc2)F)NCCc3ccccc3)S(=O)(=O)c4ccccc4	1218
+c1ccccc1S(=O)(=O)N2CCC(CC2)Cn3ccc4nc(-c5c[nH]nc5)ccc34	747
+C1CNCCN1c2cc3cc(C(=O)OC)oc3cc2	11174
+C1CN(CCN1c2cc(C)ccc2C)C(=O)C3N(C3)S(=O)(=O)c4ccccc4	11175
+c1ccccc1S(=O)(=O)NC(c2cc(N)c(cc2)NC(C)=O)=O	0
+O=S(=O)(NCC1=CC(=O)C(=CO1)O)c2ccccc2	2306
+c1ccccc1COC2=COC(=CC2=O)CN	11176
+Cc1nnsc1C(=O)c2[nH]c3ccc(Cl)cc3c2CC(OC)=O	11177
+c1ccccc1S(=O)(=O)Nc2cccc(c2)S(=O)c3ccc(c(CNCCC)c3)N	0
+c1ccccc1S(=O)(=O)Nc2cc(ccc2)Sc3ccc(N)c(c3)CNCCC	0
+O=S(=O)(c1ccccc1)c2ccc(N)c(O)c2	0
+c1ccccc1S(=O)(=O)c2cc(O)c([N+](=O)[O-])cc2	5
+O=S(=O)(c1ccccc1)c2ccc(cc2)O	5
+c1ccccc1S(=O)(=O)c2ccc(nc2)CN	421
+c12ccc(Cl)nc1cc(C#N)[nH]2	3131
+Brc1ccnc2c1cc(C)[nH]2	1017
+c1ccccc1CCc2cc3c(cc2)[nH]c4ncc(Cl)cc34	5056
+c1ccccc1S(=O)(=O)n2c3cc(F)ccc3c(-c4cc5oc(CCl)nc5cc4)c2	2037
+c1ccccc1S(=O)(=O)n2c3c(cc2)cc(cc3)O	16
+O=S(=O)(c1ccccc1)n2cc(CO)c3ccccc23	269
+O=S(=O)(c1ccccc1)n2c(cc(c2)CO)Br	382
+c1ccccc1S(=O)(=O)n2c3ncc(-c4c(cn[nH]4)-c5nc(ncc5)SC)cc3cc2	747
+c1cc(ccc1)SC(CN)c2c3ccccc3ccc2OC	157
+c1cc(ccc1)Sc2ccccc2CN	162
+c1cc(ccc1)C(CCCn2cnc3c2c4c(nc3)cccc4)O	3151
+c1cc(ccc1)[Si](c2ccccc2)(OCCC3(CCCCC3)CC)C(C)(C)C	2836
+C1(C)(CCC(CC1CCO)OC(=O)C)C2CCC3(C)C(CCC3C2OC(C)=O)=C	5105
+c1ccccc1[Si](c2ccccc2)(Oc3ccc(cc3)-c4c(cc(cn4)Br)Cl)C(C)(C)C	119
+C1CCCC(n2c3cc(ccc3c(n2)C(=O)OCC)O)O1	11178
+c1ccccc1[Si](c2ccccc2)(OC3CC4OC(CC4C3CCC5(OCCO5)COc6cccc(Cl)c6)O)C(C)(C)C	2697
+c1ccccc1[Si](c2ccccc2)(OCC3=CC=CN(c4c(cc(N)cc4)Cl)C3=O)C(C)(C)C	0
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3C(=O)CCCO3	86
+C(O)C1C2C(C)(CCC1C3(C)C(COC(=O)C)CC(OC(=O)C)CC3)C(=C)C(C2)OC(C)=O	5105
+c1cccn1-c2c(cc(cc2OCC)CN3CCC(CC3)Nc4nc5c(N)cccc5o4)OCC	13
+c1ccn(c1)-c2cc(CO)cc(C(=O)OC)c2	49
+c1cccn1-c2cc(cc(N)c2)[N+]([O-])=O	0
+c1(nc2ccccn2c1CCC)CO	2068
+c1cccn2c(cnc12)CO	1125
+c1cccn1-c2cc(C(=O)O)cc(c2)C(=O)OC	1
+c1ccn(c1)-c2cc(cc(N)c2)NC(=O)C	0
+c1ccn(c1)-c2cc(CC)c(nc2C)O	104
+N1(c2ncc(cc2C(=O)Nc3cccnc13)Br)CC	4735
+c1cnc(C(=O)c2ccccc2OC)n1CC(c3ccc(c(c3)Cl)Cl)CCO	168
+C1CC2CCOC(=O)N2CC1c3ncc4c(Cl)nccn34	856
+C1CN(C(CC1c2ncc3c(Cl)nccn23)=O)C	856
+c1nn(C)c2CCCC(c3ncc4c(Cl)nccn34)c12	856
+c1(Cl)nccn2c1cnc2	5033
+c1cnc(SCOC)n1-c2cccc(C=3CC(Nc4c(ccc(c4)-c5ccccc5F)N=3)=O)c2	1222
+Nc1cccc2c(nccc12)C#N	0
+Nc1cccc2c(nccc12)O	0
+n1c(c2ccncc2nc1Cl)Nc3ncn(C)c3	11179
+c1cnccc1-c2c(-c3ncco3)nc(N)c(N)c2	13
+c1cc(ccn1)-c2c(F)c(N)ccc2F	0
+c1cc(ccc1Cl)C=2C=CN3C(=O)NN=C3C=2c4ccncc4	11180
+C1CNCCC1c2cccc3NC(Cc23)=O	1413
+c1cnccc1-c2c3c(nc(Nc4ccc5NC(CCc5c4)=O)nc3NC6CC6)[nH]c2	392
+C1CC(CCN1)c2c(cc(c3c2CCO3)N)C	1413
+c1cnccc1-c2cc(CC#N)cc(c2)C=O	39
+c1cnccc1-c2nc3n(C(C)C)ncc3c(C(O)=O)c2	6
+C1CC(CCN1)c2ccc(cc2)C(C)C(NCC)=O	1413
+c1cnccc1-c2ccccc2N	0
+c1cnccc1-c2cn(CCO)nc2-c3cccc(N(S(=O)(=O)c4c(F)ccc(F)c4)COC)c3F	168
+c1cnccc1-c2nc(Oc3c(C)cccc3)c(cn2)C(O)=O	6
+c1cc(ccn1)-c2nn3c(cccc3Cl)c2	3169
+c1cnccc1Cc2c[nH]c3c2cc(cc3)F	2188
+c1cc(ccn1)C2(c3cc(ccc3)O)c4cccnc4C(=N)N2	11181
+c1cnccc1C=Cc2cncc(c2)C=Cc3cc(Nc4ncccc4N)ccc3	13
+O(C)c1cc(ccc1)C(c2cccc(OC)c2)(CC3CCNCC3)O	2126
+c1cnccc1CN2CCCC2c3cc(O)ccc3	5
+c1cnccc1CNC(N2CCCCC2COc3c(c(N)ccc3)C#N)=O	0
+C1CC(CCN1)Cc2c3cc(F)ccc3[nH]c2	2126
+c1cc(ccn1)NC(=O)c2[nH]nc(Nc3c4occc4nc(Cl)n3)c2	187
+c1cnccc1N2CCC(CC2)CO	647
+c1cnccc1N2CCC(CC2)CO	44
+c1cc(ccn1)OCc2nc3n(c2)nc(cn3)-c4c(F)cc(F)cc4	2303
+c1cc(ccn1)OCCCN	45
+c1cnccc1SCC2=Nc3cc(nn3C(=O)C2)-c4ccco4	11182
+c1cnn(c1C(=O)c2c(Cl)c(Cl)c(c(CC=C)c2)OCC(=O)O)C	3
+c1(CC=C)cc(C(c2ccnn2C)=O)c(c(Cl)c1O)Cl	423
+c1cnn(c1C(=O)c2cc(O)c(c(Cl)c2Cl)O)C	2990
+c1csc(C(NCC(C(=O)O)NC(=O)c2ccc(C(=O)NCc3cc(O)ccc3)cc2Cl)=O)c1	4
+c1csc(c1Cl)C(NC(Cc2ccc(CCCc3ccc4c(n3)NCCC4)cn2)C(=O)O)=O	4
+Oc1c(cccc1)CC(=O)c2cn(CCCCC)c3ccccc23	5
+c1n(CCCn2ccc3ccccc23)ncc1N	5091
+OP(O)(=O)COCC(CO)On1cnc2c(N)ncnc12	228
+c1n(nc(I)c1CO)C2CCCCO2	11183
+Ic1c(cn(n1)C2CCCCO2)C=O	576
+c1n2c(nc1)ccc(CO)n2	398
+c1nc(c2n1-c3ccc(cc3C(N4C2CC4)=O)F)C#N	1751
+c1nc(C(=O)O)c2n1-c3ccc(cc3C(N4C2CC4)=O)F	6
+c1cc(C)ncc1CO	295
+c1cc(C)ncc1COC	382
+OCc1cnc(Cl)cn1	88
+c1nc(Cl)nn1-c2ccc(N)cc2OC	0
+c1c(I)cc(c(NCc2cc(c(OCc3ccc(nc3)OC)cc2)OC)n1)N	13
+c1c(I)cc(c(NCc2ccc(OCc3ccc(nc3)OC)c(c2)OCC)n1)N	13
+Nc1c(Cl)ncc(c1)[N+](=O)[O-]	13
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)C#N	1751
+c1nc(c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C)C#N	1751
+c1nc(C(=O)O)c2n1-c3c(c(ccc3)CCN4CCN(c5c6c(cc(c5)F)nc(C)cc6)CC4C)OC2	6
+c1n2ncc(Br)c2cc(c1)C(=O)N(CC)c3ncc(C#N)cc3	11184
+n1(-c2ncccc2Cl)ncc3c(ncnc13)OC(CCOC)C(=O)Nc4ccc(cn4)C	11185
+c1nc(ccc1C)NC(=O)C(CCOC)O	948
+n1cccnc1-c2cccc(c2)CCN	51
+c1nc(ncc1)C(O)CCl	11186
+c1nc(ncc1)COc2cc3c(n(nc3C(C)=O)CC(OC)=O)cc2	2818
+c1c(Cl)c(c(cc1)Cl)C(=O)c2n3cccnc3cn2	11187
+c1nc(ncc1)N(C)c2ccc(cc2)C=CCC(C(=O)O)NC(c3c(Cl)cccc3Cl)=O	4
+C1CN(CCN1C(=O)Cn2c(-c3ccccc3)nc(c2)Br)c4ncccn4	11188
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(ccc4c(S(C)=O)c3)C(O)=O	1
+c1nc(ncc1-c2ccc(OCCCCCCCC)nc2)-c3ccc(c(c3F)F)O	16
+c1cc(ccc1-c2cnc(nc2)N)C3(CCC(CC3)=O)c4cc(OC5CCCC5)c(OC)cc4	1678
+C1CC(CCN1C(OC(C)C)=O)OCc2nc(-c3cnc(nc3)O)no2	11189
+n1cc(cnc1NCCN2CCOCC2)C#Cc3cc(cnc3)N	1472
+c1nc(ncc1C(=O)NCc2cc(C)cc(c2)C(O)=O)N3CC(Oc4ccccc4OCC)CCC3	1
+c1nc(ncc1C(=O)O)N2Cc3[nH]c4ccccc4c3CC2	1
+c1cc(ccc1Nc2ncc(cn2)CO)Cl	897
+n1cc(cnc1Nc2ccccc2)CO	897
+n1cc(cnc1C)C(CC=O)CC(OCC)=O	24
+c1nc(ncc1C(=O)O)N2CCCC(Oc3ccccc3OCC)C2	6
+c1nc(ncc1COC)N2CCC(CC2)C3C(CCOc4cc(F)c(c(F)c4)CC(=O)O)C3	4
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCNc4ccc(cn4)-n5nnnc5)C3	182
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCNc4ccc(-n5ccnn5)cn4)C3	182
+c1nc(ncc1Cl)N2CCC(CC2)C3C(C3)CCN	18
+n1cc(cnc1C(Nc2nc(c(Cl)cn2)Nc3cc(n[nH]3)OC)C)F	96
+C1CC(CCN1)CNc2ncc(cn2)F	62
+n1cc(cnc1NC(=O)CCCCC)O	3167
+n1cc(cnc1-c2ccc(cc2)CCCCCOCCC)O	11190
+c1nc(ncc1O)NC	11191
+c1nc(ncc1N)Oc2ccc(c3c2C4(CC4)CO3)C	193
+c1nc(nn1-c2ccc(cc2F)C#N)C(=O)O	1
+c1nc2Nc3cc(CO)ccc3Sc2nc1	98
+c1n(c2C(N(C(=O)N(c2n1)C)C)=O)C(C(O)=O)C	4
+Nc1c(cc(C#N)cc1)S	11192
+c1nc2c(nc(N3CC(C(=O)O)CCC3)nc2s1)Nc4ccc(OC)c(c4)OC	4
+n1c(C)cc(nc1SCc2c(c(SCCCSc3nn4c([N+](=O)[O-])cnc4cc3)ccn2)C)C	4992
+Nc1cncc(c1N)-c2cncc(c2)F	13
+c1ncc(nc1C)C(NC23CC(CCC2)(C(=O)O)CC3)=O	3
+c1(CO)c(C)onc1-c2ccncn2	1043
+c1ncn(c1)CCCCCCCN	51
+c1ncncc1-c2ccnc(Nc3c(C)ccc(c3)N)n2	0
+n1cc(cnc1)CCC(OC)=O	11193
+n1ncn(c1)-c2c(CN)cccc2	107
+c1cc(C)c(Nc2nc(cs2)CO)cc1	1171
+n1(-c2cc(c(N)cc2)C(=O)N)ccnc1	11194
+c1(c(N)ccc(-n2ccnc2)c1)C	0
+n1(-c2cccc(N)c2)ccnc1	0
+c1cnn(c1C(=O)c2cc(c(OC)c(Cl)c2Cl)OC)C	2229
+n1c(ccnc1Cl)Nc2ccc3n(C)c(nc3c2)N	73
+n1(C)c(nc2c1ccc(N)c2)N	0
+c1cccc(C(=O)Nc2cn[nH]c2C(NCCCC(OCC)=O)=O)n1	747
+n1(C=C)cc(C=O)cn1	576
+n1(C=C)cc(C(=O)O)cn1	6
+n1(C=C)cc(CO)cn1	536
+n1(c(-c2ccc(-c3c(C)cnc(OC)c3C)cc2F)c(cn1)C(=O)O)C4COCC4	6
+c12c(c3n(ncc3c(O)n1)C4COCC4)ccc(-c5c(C)cnc(OC)c5C)c2	11195
+C(NC)c1n(c2c(ccs2)c1)C	729
+n1(ccnc1)-c2cc(N)c(N)c(C)c2	0
+n1(ccnc1)-c2cc([N+]([O-])=O)c(N)c(C)c2	106
+n1(nc(-c2ncccc2)cc1)-c3ccc(N)cc3F	0
+OP(O)(c1ccc2c(n(nc2C(N)=O)CC(=O)N3CC(CC3C(NCc4c(F)c(ccc4)Cl)=O)F)c1)=O	228
+n1(nc(cc1[N+]([O-])=O)C(=O)O)C2CCCCO2	1
+n1(ncc2c(O)c(cnc12)C(=O)O)CC	6
+O=Cc1c2n(c(Br)n1)cccc2	5090
+c1n2c(cc(CO)c1)ccn2	4557
+OCc1sc2n(c1)cnc2	59
+n12cc(N)cc(C)c1nnc2C	13
+n12nnnc1c(N)c(NCCCO)c(c2C)C	4997
+Nc1nnc2ccccc2n1	11196
+c1cccc2n[nH]c(CO)c12	11197
+n1c(-c2cc(C)c(F)cc2)c(ccc1)-c3cc(c4n[nH]cc4c3)C(=O)O	1
+O=Cc1nc(Br)c(cc1)O	178
+n1c(Br)ccc(c1)C2N(N=C(C2)C(=O)O)c3c(Cl)cccc3	4
+n1c(Br)sc2cc(ccc12)CO	217
+C(c1cc(Cl)c(nc1-c2cc(F)ccc2)CN)(=O)OC	421
+c1c(c(-c2scc(CO)n2)ccc1C)[N+]([O-])=O	1171
+c1cc(ccc1)-n2nc(C(OC)=O)c(C(=O)O)n2	1
+n1c(C)cc(C(=O)O)n1CCOC	6
+c1cc2sc(nc2cc1CO)C	98
+C1CC(CCC1=O)(c2c(Cl)cccn2)C	1678
+c1ncncc1-c2cc(nc3CCCCc23)OCc4nc(F)ccc4	91
+n1c(COC(CCCCC)=O)nc(cc1)O	104
+O(Cc1nc(ccc1)CNc2nc(nc(Cl)c2NC=O)N)C3COCC3	40
+Nc1c(ncnc1Cl)Nc2ccnc(Cl)c2	193
+n1c(Cl)c2c(nc1Nc3cc(ccc3N)F)N(C4CCOc5c(F)cccc45)C(=O)N2	0
+n1cnn(-c2cc(Cl)ncn2)c1N	5106
+c1nc(Cl)cnc1COC	2068
+c1c2c(nc(n1)Cl)cccc2	511
+n1c(F)cc2cc(C(=O)O)ccc2c1	1
+Nc1nc(nc(N)c1N)-n2nc(c3ccccc23)Sc4ccccc4F	193
+C1(=O)CCC(=O)N1c2sc(cn2)C#N	11198
+n1c(NC(CCC(=O)O)=O)sc(c1)C#N	4
+n1c(NC)nc(Oc2cc(N)c(cc2)O)cc1	0
+c1c(N)cc(cc1)NC(NCCCNc2nc(Cl)ncc2Br)=O	0
+c1(ncccc1)N2C(=O)C=CC=C2	11199
+n1c(OC)ccc(C(O)C(C)N)c1	157
+n1c(OC)ccc(CO)c1	295
+Oc1ncc(C=2C(=O)N(C(=NC=2c3cc(F)ccc3)N)C)cc1	104
+n1c(c(Cl)cc(Cl)c1F)OCC(=O)O	3
+c1(nc(SC)ncc1C(=O)O)Oc2c(cccc2)C	6
+n1c(SC)nc2c(c(c(CC)n2Cc3cc(Cl)ccc3)C(=O)C(N)=O)c1OCC(=O)O	4
+n1c(SC)nccc1-c2c(nc3n[nH]cc3c2)-c4occc4	11200
+n1c(c(CC)c(n1C)-c2csc(C(=O)O)c2)Cl	1
+n1c(C(=O)O)c(NC(=O)c2ccccn2)cn1C3CCCCO3	1
+n1c(c(c(s1)N)C(=O)N)-c2cc(ccc2)N	0
+Nc1nc(c(cc1N)-c2c(cncc2)Cl)-c3c(cccc3)F	13
+n1c(c(ccc1)OC)-c2cc(-n3nnnc3)cc(C(=O)O)c2	1
+Cc1c2n(NC(=NC2=O)c3cc([N+]([O-])=O)ccc3)c(C)n1	3796
+Cc1c2n(NC(=NC2=O)c3cnc(cc3)Cl)c(C)n1	11201
+n1c(c2c(C3C(C2)C3)n1-c4nccc(Br)c4)C(=O)O	6
+n1c(c2c(C3C(C2)C3)n1-c4nccc(Cl)c4)C(=O)O	6
+C(CCCn1cnc2nc(nc(c12)O)NCc3ccc(c(Cl)c3)Cl)O	59
+n1c(ccc2c1ccc(N)c2)NC3CCc4ccccc34	0
+n1c(cn(CC(CCc2nnc(s2)NC(Cc3ncccc3)=O)F)n1)C(=O)O	6
+n1c(cn(CCCCCCCC(=O)O)c1)-c2ccccc2O	4
+n1c(NC)c(N)c(Cl)nc1Cl	193
+n1c(nc(cc1)Oc2ccc(N)cc2F)NCCCO	0
+C(=O)(c1ccc2nc(nn2c1)Br)O	1
+n1c(oc(C)c1COc2cc(c(CC(OCC)C(=O)O)cc2)CC)-c3c(cccc3)F	4
+n1c2c(c(Cl)cc1-c3ccccc3O)cccc2	5
+c1(C=O)cc2c(O)nc(nc2cc1)CCCC	39
+[N+]([O-])(=O)c1cc2NC(C(Nc2c3c1nnn3C)=O)=O	11202
+C1Cc2ccc(C)cc2NC1	1352
+n1c2c(ccc(N)c2)n(CC)c1Cn3ccnc3-c4cc(ccc4F)F	106
+Nc1cc2ncccc2cc1	0
+n1c2c(cccc2)c([nH]1)C=Cc3ccccc3N	0
+n1c2c(cccc2)c([nH]1)C=Cc3c(cccc3)Nc4scc(n4)C(=O)O	6
+C1CN(CCC1c2ncccn2)CCCCn3cnc4c3cccc4	53
+n1c2c(n(CCCC=O)c1)c3c(cccc3)nc2	24
+n1c2cc(cc(N)c2cn1C3CCCCO3)-c4c5cc[nH]c5ccc4	0
+c12nc(OC)c(nc1cc(F)cc2CN)OC	18
+n1c2cc(ccc2ccc1)CO	98
+c1cc2n(c(nc2cc1CO)C)CC	98
+n1c2ccc(C#N)cn2c(-c3nccc(O)n3)c1	104
+n1c2ccc(cn2c(-c3nccc(O)n3)c1)F	104
+Nc1ccc(Cl)c(-c2nc3cccnc3cc2)c1	0
+c1cccc2n[nH]c(CO)c12	398
+C(c1cc(c(-c2[nH]nc3cccnc23)cc1)F)(=O)O	1
+n1c2n(c(c1-c3cc(N)c(C)cc3)Br)nc(OC)cc2	0
+n1c2n(cc(Br)c1)cc(-c3c(Cl)ccc(N)c3)n2	0
+n1cc(-c2cccc(N)c2)nc3ccccc13	0
+Nc1cc(C)c(cc1)-c2cnco2	0
+n1cc(-c2c(cccc2)O)c[nH]1	5
+n1cc(cc(C#N)c1)O	390
+CC(C)c1ccc(F)nc1	1747
+c12cnc(cc1c3c([nH]2)ncc(c3)F)OC	11203
+O=Cc1ccc2ncc(Cl)n2c1	200
+CC(C)c1cncc(N)c1	1747
+O(c1c(c(nnc1)Cl)O)C	390
+O(c1cccnc1)c2cc(OCCOC)c(nc2)N	161
+Nc1cncc(Cl)c1O	13
+n1cc(-c2c(C)[nH]c(-c3ccc(OC)c(OC)c3)n2)ccc1	11204
+n1cc(ccc1-c2ccc3cc(ccc3c2)O)C(=O)OC	5
+n1cc(cnc1)-c2nccc(Nc3c(ccc(N)c3)C)n2	0
+n1cc(cnc1)-n2ncc(C(O)=O)c2CC	6
+n1cc(cnc1-c2cccc(CO)c2)OCCCN(C)C	98
+c1nc(ncc1OCC)-c2ccc(cc2)CCCCCO	374
+n1cc(cnc1-n2c3c(cc(cc3cc2)N)C4CC4)C	0
+n1cc(cnc1C)C(CCCC(CCc2ccc3CCCNc3n2)=O)CC(OCC)=O	1678
+n1cc(cnc1COC)-c2ccc(cc2)S(=O)(=O)Nc3cc(F)c(cc3F)C(O)=O	1
+n1cc(cnc1OCCOc2nc(nc(NS(=O)(=O)CC)c2Oc3ccccc3OC)-c4ncccn4)Br	482
+n1cc(cnc1N2CC(CCC2)Cn3nnc4ncc(nc34)-c5cn(C)nc5)Br	117
+c1nc(ncc1CCC)N2CCC(CC2)Oc3ccnc(O)c3	624
+n1cc(cnc1N2CCC(CC2)Oc3cc(ccc3Cl)Br)-c4nnn(CC(O)=O)n4	3
+n1cc(cnc1N2CCC(CC2)Oc3cc(ccc3Cl)Cl)-c4nnn(CC(O)=O)n4	3
+C1CN(CCC1c2cnc(nc2)N3CCOC(Cn4c5nc(-c6cn(C)nc6)cnc5nn4)C3)C	11205
+n1cc(cnc1Nc2cnccc2)N	193
+c1nc(ncc1N)Oc2c3C4(CC4)CCOc3ccc2	193
+n1cc(cnc1Oc2cccc3OCCC(C)c23)N	193
+n1ccc(-c2cnccc2)nc1Nc3cc(N)c(C)cc3	0
+n1ccc(C(=O)C)c2cc(C#N)ccc12	155
+c1c(C)cc(NC(=O)c2ccc(c(N)c2)N)nc1	0
+o1c(nc2cnccc12)-c3c(N)nccn3	11206
+n1ccc(Oc2cnc(cc2)N)cc1NC(C)=O	161
+c12c(cccc1C(C)O)ccnc2	74
+n1ccc2n1c(c(CCO)c(n2)Cl)Cl	237
+Nc1c(Cl)nn(-c2cccnc2)c1	209
+n1cccc(F)c1-c2nc(C(=O)O)c(nc2)N	1
+C(=O)(C(C)Cc1cc2cc(ccc2[nH]1)OCCCNc3ncccc3)O	4
+c1c2nnc(n2ccc1)-c3nc4c(cc3)cc(cc4Br)F	2149
+n1cccnc1-c2ccc(cc2)C#CC=O	2628
+n1cccnc1-n2cc(C(=O)O)c(N)n2	6
+C1CN(CCN1c2ncccn2)c3ncc4c(n3)SCC(=O)N4	2044
+C1NC(NCC1)=NCCCOc2ccc3c(c2)Cc4c(C(C3)CC(OCC)=O)cccc4	11207
+c1nc(ncc1)NCCN2CCC(N)C(O)C2	273
+c1nc(ncc1)Nc2scc(-c3c[nH]nc3-c4cc(F)ccc4OC)n2	1613
+n1ccn(-c2ccc(cc2N)C3=C(C(NC3)=O)C)c1C	0
+n1ncn2CCNCc12	4057
+Cc1c2c(ccc1)cncn2	511
+n1c(Br)cc(C(=O)O)n1-c2c(Cl)cccc2	1
+n1n(C)c(C)cc1C#N	331
+n1n(c(N)cc1C(=O)OC)C	161
+n1c(N)cc(n1C)COC	161
+n1n(C)cc(N)c1C(=O)N	209
+n1c(N)ccn1CCC	161
+c1(C=O)cc2c(cc1)n(nn2)CCCC	39
+n1cc(N)cn1CCNc2ccc(cn2)F	209
+n1n(Cc2ncccc2)c3ccc(N)cc3c1	0
+n1c(N)cnn1Cc2occ(n2)COC	1901
+c1(c2c(c(nn2C)CCC)nc(n1)-c3ccccc3OCC=C)O	5107
+c1(c2c(c(nn2C)CCC)nc(n1)-c3ccccc3OCCC)O	5107
+n1n(c2c(c1I)cc(N)cn2)C	13
+n1n(CCNc2ccc(cn2)F)cc([N+]([O-])=O)c1	15
+n1cc(N)cn1CC(NC(C)CO)=O	209
+n1n2CCOCc2cc1CO	194
+n1n2CCOCc2cc1C=O	178
+n1c(N)cc2n1CCOC2	161
+n1n2c(c(Br)ccc2)nc1N	982
+n1n2c(sc1C)nc(CC(=O)O)c2	3
+n1nc(C2CCCO2)nc(c1C(CC)N)O	524
+c1(ccccc1Oc2cnnc(O)c2)C(C)=O	3149
+n1nncn1-c2cc(cc(-c3ccccc3OC)c2)C(=O)O	1
+n1nncn1-c2ccc3c(CCCC3C(=O)O)c2	4
+c1(cc(ccc1)-c2c(c(sn2)C(O)=O)C(O)=O)C	1
+c1c2nsnc2ccc1O	5
+o1c(-c2cc(CO)ccc2)ccc1Br	59
+o1c(Br)cc(c1C)C=O	5108
+o1c(Br)cc(CO)c1C	4414
+o1c2cccc(c2c(c1CC)C)O	2361
+o1c(C(=O)O)cc(-c2ccnn2C)c1C	1
+o1c(cc(c1C)C=O)C(=O)OC	5108
+o1c(cc2c1cc(cc2O)C(=O)OCC)CC	173
+o1c(nc(c1CC)C(O)=O)N2CC(C(CC2)NC(c3[nH]c(c(CC)n3)Cl)=O)OCCC	5095
+o1c(c(c2c1ccc(Br)c2OC)C)CO	2184
+o1c2cc(c(F)cc2c3cc(C#N)ccc13)O	5
+C(CO)c1c2ccc(cc2oc1)O	95
+o1c2cccc(CCCOC)c2c(C)c1C(=O)OCC	213
+o1c2cccc(CCCOC)c2c(c1C(=O)O)C	6
+c1c(CCCOC)c2c(c(oc2cc1)CO)C	2184
+o1c2cccc(OC)c2c(c1C(=O)O)C	6
+o1c2c(c(c1CC)C)c(O)c(cc2)CC=C	423
+O=Cc1oc2cccc(c2c1)Br	2180
+c1(CO)occ(C(=O)OC)n1	59
+C(CCC=CCCC(=O)c1occc1)(OC)=O	2444
+o1nc(c(C(=O)O)c1N)-c2cc(F)ccc2	1
+C(CCc1nc(on1)C=Cc2ccc(OC)c(c2)O)CCCCC	5
+o1nc(cc1-c2cc(CCC(O)C)ccc2)C(=O)OC	100
+c1cc([N+]([O-])=O)cc2Oc3sc(cc3C(=O)Nc12)C	11208
+s1c(nc2-c3c(ccc(N)c3)CCc12)Cc4nc[nH]c4	0
+s1c2c(nccc2Oc3ccc(N)cc3F)cc1-c4cc(ccc4)OCCCCl	0
+s1c2c(nccc2Oc3ccc(N)cc3F)cc1-c4ccc(CCN5CCCC5=O)cn4	0
+s1c2c(nccc2Oc3ccc(N)cc3F)cc1-c4ccc(CN5CCOCC5=O)cn4	0
+s1c2c(nccc2Oc3ccc(N)cc3F)cc1-c4cn(cn4)CCC	0
+C(O)CCc1ncsc1	237
diff --git a/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/validation.tsv b/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/validation.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..c0cda0e1427afc8c002a6af625ac66c1eec652d4
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/splits/single_step/validation.tsv
@@ -0,0 +1,5740 @@
+product_smiles	rule_id
+C(=O)(OC)C(C)c1c(F)cc(Br)c(c1)F	369
+C(OCC)(=O)C1(C(OCC)=O)CCC(=O)N1c2cnc(cc2)Oc3ccc(cc3)CBr	540
+CCOC(C(CCBr)F)=O	3174
+CC(C)(C)OC(N1CC(C1)Oc2cc3N4C(C)C(=O)NN=C4COc3cc2Br)=O	428
+CC(C)Cc1c(Br)cccc1	369
+CC(C)c1c(OC)ccc(Br)c1C	428
+FC(F)(F)COc1cc(c(C(CBr)=O)nc1)Cl	380
+FC(F)(F)c1cc(ccc1O)Br	428
+FC(F)(F)c1c(ccc(c1)N(S(=O)(=O)C)c2cc3oc(c(C(NC)=O)c3cc2C4CC4)-c5ccc(cc5)F)Br	369
+c1(ccc(Br)c(C)c1F)C#N	369
+Nc1c(c(c(cc1)Br)F)C	428
+O=C(c1c(O)c(O)c(Br)cc1)O	369
+O=S(=O)(CC)c1ccccc1C(CBr)=O	380
+C1CCCCC1NS(=O)(=O)c2cccc(c2)C(CBr)=O	380
+c1c(CC)c(c([N+]([O-])=O)cc1)Br	369
+c12c(cc(cc1cccc2)Br)C(OC)=O	369
+c1c(cc(-c2ccc(cn2)C)c(Cl)c1)Br	369
+c1(c(C)c(F)c(cc1F)C(=O)O)Br	369
+c1ccccc1Cc2ccccc2CBr	540
+c1ccccc1C2CC(CCBr)c3ccccc23	1064
+C(CC(CCCC)CBr)CC	1224
+C(CC(=O)CBr)(NC1C(=O)N2C(C(=O)O)=C(CSC12)COC(=O)N)=O	3177
+C1CCCCC1CCC(Br)C(=O)c2cc(c(cc2OC)C)OC	504
+C1CC(CCC1O)c2ccc(cc2)Br	63
+C1CN(CCN1c2ccc(Br)c([N+]([O-])=O)c2)C	63
+CC(C)(C(CBr)=O)CO	400
+CC(C)c1c(cc(cc1)Br)C=O	63
+c1(c(c(ccc1NC(C)=O)Br)F)C	63
+c1c(cccc1C(=O)CBr)C#N	288
+C(Br)c1c(OC)c(Br)cc(c1)Br	2316
+FC(F)Oc1c(ncc(c1)Br)O	301
+FC1(F)CCN(CC1)c2sc(c(C3C(CCCC3)C(OC)=O)n2)Br	1066
+COc1cc([N+]([O-])=O)cc(Br)c1N	63
+O=S(=O)(C)Nc1cc(C(=O)CBr)c(cc1)F	288
+O=S(=O)(Nc1c(cc(cc1)C(CBr)=O)Sc2ccc(F)cc2F)C	288
+O=S(=O)(c1cc(ccc1F)C(=O)CBr)N	288
+c1(C)cc(I)cnc1Br	2315
+O=Cc1c(c(ccc1)O)Br	63
+c1ccc2c(C(=O)N(C2=O)CCc3n(nc(C#N)c3Br)CCC)c1	635
+Brc1sc(-c2cc(c(cc2)CCCCC)F)cc1	1069
+c1c(c(cc(OC)c1F)Br)O	63
+c1c(cc(cc1)CCCBr)C#N	1224
+c1c2c(ccc1)CC(C2)Nc3c4c([nH]cn4)nc(-n5nc(c(Br)c5C)C)n3	635
+c1([N+]([O-])=O)c(ccc(Br)n1)O	1068
+c1cc(OCCc2sc(Br)cc2)cc(C)c1OCC(OCC)=O	1069
+Cc1ncccc1-c2cc(Br)c(cc2)OC	63
+c1cc(ccc1C#N)OCCCCCOc2ccc(cc2)-c3c(sc(n3)C)Br	1066
+c1cc(ccc1Oc2cc(cnc2N)Br)C#N	301
+c1cc(ccc1CC(C(=O)c2cccc(Cl)c2)Br)Cl	504
+c1cc(cc(Br)c1OC)OC(C)=O	63
+c1cc(ccn1)-c2nn(cc2Br)C	635
+c1cc(ccc1)Cn2c3nc(nc(N)c3nc2Br)NCCOC	1065
+c1(c(nn2c(ncc2Br)c1)Cl)C	3185
+n1c(C#N)c(Br)c(C)n1CCCC	635
+C(c1ccc(F)c(F)c1C)Br	302
+C1CC(CCC1CCCCC)CBr	114
+c1nc(ncc1)NC2CCC(CC2)CCBr	114
+CC(C)(C)OC(NC(Cc1cnccc1)CBr)=O	114
+CC(C)(C)OC(NC(CBr)C)=O	114
+CC(C)(CC(Nc1ccc(cc1)CBr)=O)C=2C(=O)C(C)=C(C)C(=O)C=2C	302
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cc(CBr)ccc4)nc12	302
+O(c1c(cccn1)CBr)C	3187
+c1(cccc(C)c1CCCBr)C	114
+c1cc(ccc1CCCBr)CCc2nc(NC(=O)C)sc2	114
+c1cc(ccc1CCc2nc(NC(=O)C)sc2)CCBr	114
+c1(OC)cc(cc(OC)c1OC)NC(=O)CBr	829
+c1c2c(ccc1C(CBr)=O)N(CC2)C(=O)C	1792
+C1CC(CCC1CC(=O)OCC)c2ccc(cc2)C(CBr)=O	1792
+Cc1cc(n[nH]1)Nc2c(cnc(Nc3c(C)cc(c(c3)C)C4CCCCN4CC(N)=O)n2)Cl	1228
+C1CN(CCN1c2c(cccc2)F)C(=O)c3cn(CC(=O)O)c4cc(ccc34)Cl	256
+C(CSC)N(CCSC)CC(OC)=O	303
+CC(C)(C)OC(=O)NC1C(=O)N(CCCC1)CC(OC)=O	584
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(cc2)OCC(OC)=O)c1-c3ccc(cc3)C)=O	52
+CC(C)NCC(OC)=O	1459
+C=CC(c1c(OCC(OC)=O)c([N+]([O-])=O)ccc1)C	52
+c1(cc(cc(Cl)c1)Oc2c(CC)nn(c2CC)CC(OC)=O)Cl	764
+C1Cc2c(cccc2)N1CC(=O)OC	2319
+c1cc(ccc1)C=CC(=O)Nc2cc(ccc2)OCC(OC)=O	52
+c1cc(ccc1)Cc2c3cc(ccc3n(C)c2C)-c4ccc(cc4)OCC(OC)=O	52
+c1cc(ccc1)Cc2cn(CC(OC)=O)c3c2cccc3	256
+C=C(C)COc1cc(C)cc(C)c1C	2320
+c1cc2c(OCCO2)c(c1C(OCC)=O)[N+](=O)[O-]	3195
+CC(C)(C)C1CCC(CC1)c2cccc(NC(=O)Cc3cc(c(cc3)OCCBr)OC)c2	8
+Nc1ccc(OCCBr)cc1[N+]([O-])=O	8
+O=S(=O)(Cc1c(cc(C(Nc2ccc(Cl)c(-c3ccccn3)c2)=O)cc1)OCCBr)C	8
+c1c2cccnc2ccc1OCCBr	8
+c1cc(ccc1C#N)OCCBr	8
+C(Oc1cc([N+]([O-])=O)ccc1Cl)CCBr	8
+c1cc(ccc1Cc2c(OCCCBr)cccc2)C(N(CC)CC)=O	8
+c1cc(ccc1OCCCCBr)C=Cc2nc3c(C(N(C(N3CC)=O)CC)=O)n2C	8
+O(CCC#C)CCCCCCBr	176
+C(CCOCC#C)CCCBr	3201
+C(CCBr)CCCOCCCCCCc1ccccn1	176
+C(CCOCCc1ccccn1)CCCBr	176
+O=S1(=O)N(c2ccccc2N1c3ccccc3F)CCOCCBr	1233
+C1CN(CCO1)c2cccc(Oc3cc(c(Cl)nc3)F)c2	765
+COc1c(cc2nncc(Br)c2c1)CC	2325
+Fc1cc(CBr)c(F)cc1Cl	148
+c1(cc(cc(Br)c1Oc2cc(C(C)C)c(cc2)O)CBr)Br	148
+c1cc(CBr)cc([N+]([O-])=O)c1OC	148
+c1cc(ccc1)CCCCBr	703
+c1cc(ccc1)COc2ccc(CBr)c(c2F)F	148
+c1cc(ccc1C(=O)Nc2c(ccc(-c3ncc[nH]3)c2)Cl)OCc4ccccn4	1795
+c1cc(ccc1-c2c(C)nccc2)OC	89
+c1c(I)nc(Br)c(c1)O	1463
+c1(Cl)c(Br)cc(c(C)n1)[N+](=O)[O-]	137
+c1(CCOC2OCCCC2)ccccc1Br	219
+CC(C)(C)OC(N1CCC(CC1)c2nc(cs2)C#Cc3c4c(ccc3)cccc4)=O	1800
+c1c(Cl)ccc(Oc2c3c(cccc3)ccc2)c1C	304
+c1c(C)c(cnc1Nc2cc(C)cc(Br)n2)F	834
+CC(C)(C)OC(NC1CN(C1)c2cnc3[nH]ccc3c2)=O	244
+C1CC(CCN1c2cccc(c2)Br)C(=O)OCC	79
+c1cc(ccc1)Oc2nc(ccc2)Br	1237
+c1cc(ccc1OC)CNc2cccc(n2)Br	340
+c12c(c(ccc1[N+]([O-])=O)Br)nccc2	1804
+CC(C)c1c(c2c(n1Cc3ccccn3)cc(Oc4cccnc4)cc2)C(NCc5cc(F)c(cc5)F)=O	706
+c1ccc(cc1[N+]([O-])=O)C=Cc2cnccc2	1807
+c1c(C=Cc2cc(ccc2)Nc3c(cccn3)[N+]([O-])=O)cccn1	1807
+c1cc(ccc1C)-c2cccnc2	89
+c1(cc2ccc(cc2cc1)-c3ccnc(C(=O)O)c3)OC	835
+n1nc[nH]c1-c2c(Br)ccs2	2338
+Brc1ccsc1C(=O)N	767
+c1(C)cccc(C)c1-c2nc(c(Cl)n2CCCC)Cl	1795
+c1ccccc1COc2cc(ncc2)Br	22
+s1ccnc1-c2cc(c(F)cc2)C#N	1241
+c1cc(ccc1C)-c2sc(-c3cc(c(cc3)CCCCC)F)cc2	268
+C(NC(=O)c1c(C)nc(Br)s1)c2cccnc2	454
+O=S(=O)(C)c1cccc(-c2sc(-c3ccn(C)n3)cc2)c1	268
+C1CN(CCN1C2CCC2)C(=O)CN3CCc4c(sc(n4)Br)C3	224
+CC(C)(C)OC(=O)NCCn1nnc(C(OC)=O)c1	2342
+c1cc(ccc1Oc2sc(cn2)C#CC(NC(C)=O)C)O	3230
+C(C)OC(=O)c1nn(-c2cccc(C#CC3(C(N(CC3)C)=O)O)c2)c4CCN(Cc14)c5ccncn5	197
+C(COCCOCC#C)OCCO	1244
+C[Si](C)(C)OC(CC#C)(CCOC)C	19
+C[Si](C)(C)CCOCOc1cc(cc(OCc2ccccc2)c1Br)C(=O)NCC#C	1815
+Cc1cccc(C)c1C#CCO	121
+c1cc(ccc1CNS(=O)(=O)c2ccc(cc2)C#CCO)C(=O)Nc3cccnc3	121
+c1cc(ccc1OC)-c2nn3ccc(Cl)cc3c2C(C#C)O	1817
+c1cc(ccc1-c2nc(C#Cc3nc(ccc3)N)c(nc2)N)S(=O)(=O)C(C)C	2350
+C1CCC(C1)CC(c2ccc(cc2)C#Cc3ncccc3)C(OC)=O	129
+FC(F)(F)c1ccc(cc1)Cn2cc(nn2)-c3nc(c(C(=O)OCC)s3)C	3236
+C(#N)C(C#N)=C(N1CCC(CC1)CN2CCCCC2)NCCN3CCCC3C	3237
+C(#N)COc1c(cccc1C)CO	41
+C(c1cccc(c1OCC#N)C)Br	543
+NC(=O)c1c2c(cc(CC(C)NCCOc3ccccc3OCC)c1)CCN2CCCO	216
+c1cc(ccc1C)S(=O)(=O)OCCCCC=C	36
+O=S(=O)(CCC(OC)=O)NCCCC=C	111
+CC(C)[Si](C(C)C)(C(C)C)Oc1ccc2cccc(C=C)c2c1	154
+c1c(OC)ccc(CCC(OC)=O)c1OC	159
+c1c(OC)c(ccc1C(=O)OC)Cn2c3cc(C=CC(NCCC)=O)ccc3cc2	190
+C(CCCCCCCO)OC(=O)C(=C)C	2360
+c1cc(ccc1OC(=O)C(C)=C)C=O	3255
+c1(ncc(c(n1)C#Cc2c(cccc2)C(C(=O)N)C)Cl)Cl	838
+CC(C)(C)OC(N1CCC(CC1)n2cc(Nc3nc(C#Cc4ccccc4C(C)C(=O)N)c(cn3)C(F)(F)F)cn2)=O	838
+C1CN(CCN1c2cc(c(C#N)cc2)F)C(C=C)=O	709
+CC(C)(C)OC(=O)N1CCC(CC1)CCNC(=O)C=C	771
+CC(C)(C)OC(NC(CCCCNC(C=C)=O)C(O)=O)=O	771
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N(C2CCN(CC2)C(C=C)=O)C3CC3	709
+c1cc(ccc1OCCCCCCOC(=O)C=C)C=CC(=O)O	1255
+CC(C)(C)OC(=O)N1C(C)(C)OCC1CC(C(C)C)C(c2cc3c(cc2)n(cc3CCCOC)C)OC(COC)=O	204
+c1(nc2cc(Cl)c(Cl)c(NC(=O)COC)c2nc1OC)OC	308
+c1cc(ccc1F)NC(C2(CC2)C(=O)Nc3cc(c(cc3F)Oc4cc(ncc4)NC(COC)=O)F)=O	195
+c1cc(ccc1)COC(C(C)(C)CCOC(=O)CCCCCCCCC)=O	204
+C1C2COCC(CN1C(C=Cc3cc(OC)c(cc3NC(C)=O)Cl)=O)N2Cc4ccc(cc4)F	404
+c1c(CN(C(=O)C=Cc2cc3CN(C)CC(=O)Nc3nc2)C)c4[nH]ccc4cc1	404
+C(=CC(NCCC)=O)c1ccc2cc[nH]c2c1	711
+C1CC1N2C(CC(=O)N(c3ccc(cc3F)I)C2=O)=O	2365
+Cc1c(c(-n2c3c(cc(Cl)cc3)cc2)n(C)n1)C=CC(=O)O	3263
+c1c(cc(cc1F)C(N)CC(=O)O)Br	1479
+c1cccnc1N2C(N(CC(Nc3cc4c(CC5(c6cccnc6NC5=O)C4)cc3)=O)CC2)=O	33
+C(=O)(OC)C(C)c1c(F)cc(C)c(F)c1	3265
+C(=O)(OC)C(C)c1cc(F)c(cc1F)CBr	29
+C(=O)(OC)C(C)c1cc(F)c(cc1F)N	0
+C1CCCCC1(C)c2cc(ccc2OC(=O)OC)F	644
+O=S(=O)(Nc1ccc(F)c(NC(=O)OC)c1)CC	90
+O=S(=O)(c1ccc(cc1Br)F)N(c2ccc3c(c2C(=O)OC)OCC4CC34)C(=O)OC	3267
+c1cc(cc(Oc2cccc(C#N)c2)c1OC)COC(=O)OC	405
+Nc1cc(cc(N)c1)C(=O)OCCCCCCCCOC(=O)C(=C)C	0
+C(=O)(c1cc([N+]([O-])=O)c(cc1Cl)OCC)OC	116
+Nc1cc(C(=O)OC)c(Cl)cc1OCC	0
+C1C(CC1)(C2CN(CC2)CC(O)c3c(C)c4COC(c4cc3)=O)NC(=O)c5ccc(-n6nnnc6)nc5	56
+C1CC(CCN1CC(c2ccc3c(COC3=O)c2C)O)(C)NC(c4ccc(-n5nnnc5)nc4)=O	56
+c1c(C(Cl)=O)ccc(C)n1	2371
+c1cc(cnc1C(=O)OC)C(Cl)=O	1082
+CC(C)(C)NC(=O)c1ccc(nc1)Cl	56
+c1cc(ccc1C(C)C)NC(=O)c2ccc(nc2)Cl	246
+c1cc(N)c(NC(c2cnc(Cl)cc2)=O)cc1	246
+c1cc(ccc1Br)C2CC2CC(=O)NNC(=O)NCC	1829
+O=S(=O)(c1ccccc1[Se]C)N=C=O	3277
+CC(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)NCCCC	1830
+c1(c(cccc1)-n2c3cccc(NC(NCCCCl)=O)c3cn2)F	406
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)NC(=O)NCCCl	406
+c1(cc2c(cccc2)cc1)NC(OCCN(C)C(=O)NCc3c(Cl)cccc3)=O	589
+CC(C)(C)OC(=O)N1c2c(C3(CCN(CC3)Cc4ccccc4)C1)c(ccc2)C(C)O	1482
+FC(F)(F)c1ccc(C(N(OC)C)=O)c(c1)NCC	291
+c1cc(-c2nc3cccc(C(=O)N)c3[nH]2)c(cc1C4CCCN4CC)F	61
+CN(C)S(=O)(=O)c1c(ccc(NC(Nc2c(cccc2)Cl)=S)c1O)Cl	773
+c1cc(ccc1NC(C=CCN(C)C)=O)C(=O)Nc2cc(Nc3ccc(Cl)c(-c4c5ccccc5[nH]c4)n3)ccc2	2378
+C1CCCCC1(c2cc(Br)cc(Br)c2OC)C#N	2323
+CC(C)(C)OC(=O)N1CCC(CC1)OCCCCCBr	176
+c1cc(ccc1C(c2ccccc2)=O)OCCCCCBr	8
+O(CC)C(=O)C(C(=O)C)=NOCCCCCCCC	1071
+O=Cc1cc(ccc1OCCCCCCCC)Br	8
+C(CCCCCCCCCCCCCCl)CC=C	3286
+O(C(=O)C1CN(CCSc2c(ccc(F)c2)F)CCC1CCC(=O)c3c4c(ccc(OC)c4)ncc3F)C	28
+c1c(F)c2c(OCO2)cc1F	3287
+c1c(C(=O)OC)cc2c(c1)c(c(n2Cc3ccccc3Cl)CCC)C(C)=O	190
+c12cc(n(Cc3ccccc3Cl)c1cc(C(=O)OC)cc2)CCC	190
+C(c1c(OC)c(Br)cc(c1)Br)C#N	163
+C1CN(CCO1)c2nc3c(c(c2)C(=O)OC)nc(n3Cc4c(c(Cl)ccc4)Cl)C	1484
+c1cc2c(csc2cc1F)N3CCCN(CCCC#N)CC3	28
+c1(F)c(F)c(c(cc1)CC(=O)O)C	508
+c1c(C(=O)C)cc(NC(C(Br)C)=O)cc1	829
+CN(C)CCCC(=O)C	53
+CC(C)(C)n1c(Br)c(cn1)-c2nc(CC(=O)OCC)cs2	3304
+c1c(OC)c(c(cc1C)OC)OC(=O)C(C(C)OC)Br	385
+c1cc(ccc1O)NC(CCCBr)=O	26
+NC(=O)c1ccccc1NC(=O)CCCBr	26
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(=O)CCCCl	3308
+C1CN(CCC1COc2cc3c(c(ncn3)Oc4cc5c(c[nH]c5cc4)C)cc2OC)C(=O)CCl	58
+C1COCCC1Cn2c3c4c(ncc3nc2CCl)cccc4	546
+C1CC1C(CO)(NC(CCl)=O)c2cc(Br)ccc2F	68
+C1CN(CCO1)C(COc2cc(ccc2)NC(=O)CCl)=O	26
+CC(C)(C)NC(CCl)=O	68
+CC(C)(C)OC(N1CCC(CC1)N(C2CCCCC2O)C(=O)CCl)=O	58
+CC(C)(C)[Si](C)(C)OC1CN(c2ccc3c(ccc(c3NC(=O)CCl)Cl)n2)CC1	26
+Clc1cc2C(=O)N(c3c(Cl)cccc3)C(=Nc2cc1)CCl	1842
+C(C(Cc1c(c(NC(=O)CCl)c(cc1I)I)I)C(O)=O)C	26
+C1CN(CC(C1NC(CCl)=O)O)c2c(c(N)cc(C#N)c2)Cl	68
+c1c2NC(=O)COc2c(c(F)c1)F	646
+O(C)c1cc2CCC(c3c(cc(cc3)OC)N(CC)C(CCl)=O)Cc2cc1	192
+O=S(=O)(c1cc(NC(=O)CCl)cc([N+](=O)[O-])c1)C	26
+c1c(c(ccc1C(CCl)=O)O)OC	94
+C1CN(c2cc([N+]([O-])=O)ccc2S1)C(=O)CCl	192
+c1(c(sc(n1)NC(CCl)=O)C(=O)c2ccccn2)-c3occc3	290
+C(c1ccc(c(c1)-c2cc(C(CCl)=O)c(OC)cc2)OC)C	94
+c1cc(ccc1CC(N2CC(c3cccc(n3)Cl)OCC2=O)C)OCCO	2384
+C1CC23CCCCC2C(Cc4ccc(C(=O)C)cc34)N1C(Cc5occc5)=O	58
+C1CN(CCN1CCCO)CC(NCCCCCCC)=O	1228
+C(C(=O)Cl)(C(OC)C)Br	141
+c1cc(ccc1N2C(=O)CC(C(O)=O)C2)C	1843
+c1(c(Cl)ccc2C(CCOc12)=O)Cl	214
+Clc1ccc2ccc(COc3cc4c(OCc5c(C4SCCC(=O)O)cccc5)cc3)nc2c1	3312
+c1cc(ccc1Cn2c3c(nc2CCl)cccc3)Cl	953
+C(OC(CNC(CN1CCCC1=O)=O)=O)C	3314
+CC(C)(C)NC(Cn1c(c(C)nc1)CN=[N+]=[N-])=O	9
+Clc1cc(OC(C)C(OC)=O)c(cc1)C=O	289
+c1cc(ccc1C=O)OC(C)C(=O)OC	289
+c1ccccc1COc2ccc3c(ccn3C(C(OC)=O)C)c2	3317
+c1ccccc1CC(C(NC(CCCc2cnc[nH]2)C(OC)=O)=O)NC(CCc3ccccc3)=O	188
+CC(C)(C)OC(=O)N1CCN(c2c(c(C)cc3cccnc23)OCCCC(=O)OC)CCC1	8
+FC(F)(F)S(=O)(=O)Oc1cc2ccccc2c(CC(OCC)=O)c1	166
+O=S(=O)(OCC(C)Cn1c2ccc(cc2cn1)C)C	7
+C(C(Cc1c(c(NC(=O)CNCCNCCN)c(cc1I)I)I)C(O)=O)C	402
+Cc1cc(ccc1)Cc2[nH]nc(N)c2	3321
+O=C(c1sc(C(NCc2ccc(c(Cl)c2)Cl)=O)cc1)Cl	1488
+C1CCCCC1CCCCC(=O)Cl	141
+C1CCCCN1CCC(Cl)=O	141
+C1COCCC1CC(=O)Cl	141
+CC(C)(C)OC(CCSCc1cc(C(=O)Cl)ccc1)=O	138
+CC(C)(CCCCCC)C(Cl)=O	141
+FC(F)(F)Oc1ccc(cc1)-c2ccc3c(C(=O)C(=O)OC)cn(c3c2)C	715
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(n(C)n4)C(Cl)=O	954
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(no3)-c4cc(c(cc4)C(Cl)=O)F	138
+C(Cl)(c1c(cc(Cl)c(c1)OCC=C)F)=O	138
+FC(F)(F)c1cc(c(nc1)Cl)C(=O)Cl	2371
+FC(F)c1nc(c(cc1C(=O)OCC)Cl)Cl	3326
+CCN1c2c(c(OC)ccc2C3CCc4c(ccc(OC)c4)C3)C(C1=O)=O	3327
+C(Cl)(c1c(Cl)sc(c1)Cl)=O	3328
+c1(ccc(OC)c(c1)OC)C(C(=O)Cl)C	141
+c1c(c(C(Cl)=O)cc(-c2nnn[nH]2)c1)OC	138
+c1cc(ccc1OCCCN(C)C)C(Cl)=O	138
+c1cc(ccc1C(=O)Cl)-c2nc(-c3ccc4c(c3)OCO4)c(-c5ccccn5)[nH]2	138
+c1cc(ccc1Cl)Sc2ccc(cc2)CCC(=O)Cl	141
+c1ccccc1COc2ccc(cc2)S(=O)(=O)Cl	1491
+c1cc(ccc1C(Cl)=O)OCc2ccccn2	138
+c1cc(ccc1C(Cl)=O)Oc2c([N+](=O)[O-])cc(cc2)Cl	138
+c1cc(ccc1C)-c2cc(C(NC(c3cnc(cc3)OC)CO)=O)cc(C(=O)N(CC(C)C)C)c2	14
+c1(F)c(ccc(C=CC(C(O)=O)=O)c1)Br	3330
+c1ccccc1Cn2c(C)nc3N(C(N(C(c23)=O)CCCCC(C)OC(=O)C)=O)C	2386
+FC(F)(F)C1=CN=C(c2cc(c(cc2Cl)Cl)NC(C)C(OCC)=O)C(=O)N1C	3316
+FC(F)(F)c1ccc(Oc2ccc(cc2)OC(C(OCC)=O)C)nc1	289
+c1cc(ccc1OC(C)C)-c2nc(c(o2)C)COc3cc(C)c(cc3)CC(C(OC)=O)OCC	547
+Oc1c(ccc(C(CCC(=O)O)=O)c1)O	5
+c1cc2c(cc1CCCC(=O)O)CCO2	165
+C1COCCN1CCC(=O)c2c(cccc2)[N+]([O-])=O	1493
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1C)c(C(=O)N4CCN(CC4C)C(C)c5cc(C#N)ccc5)cn2	3339
+C(C)C(CC)(c1cc(c(C#CC2(CCCC2)O)cc1)C)c3ccc(C(NC(C)(C)C(O)=O)=O)c(c3)C	4
+CCC(CC)(c1cc(c(cc1)C(=O)O)C)c2ccc(c(c2)C)C#CC3(CCCC3)O	1
+CCC(CC)(c1ccc(O)c(C)c1)c2cc3c(oc(C(=O)OCC)c3)c(c2)C	1848
+C(C)C(CC)(c1cc(c(cc1)C#CC2(CCCC2)O)C)c3ccc(C(OC)=O)c(C)c3	2340
+CCC(CC)Oc1cc(c(-c2c(cc(cc2)OC)Cl)nc1NC)Br	3342
+CCC(CC)Oc1ccc(nc1NC)I	70
+c12cc(CCC)[nH]c1cc(cc2)C(=O)OC	3345
+C(CC)CCOCCCCCO	176
+c1cc(ccc1S)N(c2ccc(cc2)[N+](=O)[O-])CCCCC	2396
+C(=C)c1c2c(ccc(O)c2)ccc1	1496
+c1c(Br)ccc2ccc(C=C)cc12	651
+c1cc(ccc1)C(N2c3c(C=C(C2=O)c4ccccc4)c(O)c(C(=O)OC)nc3-c5cnccc5)C	1853
+c1cc(ccc1)CCC=2C(=O)N(Cc3ccccc3)c4c(C=2)c(O)c(C(OC)=O)nc4-c5cnccc5	1853
+C(CC)c1c(ccc2C(=O)CC(Oc12)C(=O)OCC)OCCCCCOc3ccc(c(c3CCC)O)C(C)=O	3351
+CCN(CC)C(=O)c1cc(Br)c2ccccc2c1OC	38
+c1cc(ccc1Cc2c(cccc2)O)C(N(CC)CC)=O	5
+c1cc(ccc1Br)C(C)C(N)=O	3352
+CCN(CC)CCCNc1cc(ccc1[N+](=O)[O-])OCCCN(CC)CC	60
+Ic1cc(cc(I)c1OCCN(CC)CC)C(=O)c2c(CCC(=O)OC(CC)C)oc3c2cccc3	72
+CCN(CC)CCNC(=O)c1cc(c([nH]1)C=O)C	81
+CC(C)(C)OC(=O)NCC(c1c([nH]c2c1cc(C(C)(C)C(N(CC)CC)=O)cc2)-c3cc(C)cc(C)c3)C	10
+CC(C)(C)OC(=O)N1CCC(CC1)N(C(N(CC)CC)=O)C2CCCCC2	2399
+CCN(CC)C(CC#N)=O	1857
+C(C)N(CC)CC1Oc2cc(S(=O)(=O)C)ccc2OC1	236
+C(C)N(CC)S(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2	92
+CCN(CC)CCOc1cc2c(c(C)n(C)c2cc1)C(=O)OCc3ccccc3	53
+CCN(CC)Cc1cccc(C(=O)Nc2cc(ccc2C)NC(c3ccc(cc3)C#N)=O)c1	171
+CC1(C)c2c(C(=C(C(=O)OCC)C1=O)O)ccc(O)c2F	3359
+CCOC(=O)C(C(=O)OCC)Cc1ccc(cc1)Br	2401
+c1ccccc1-c2ccc(cc2)-c3c(CCC(OCC)=O)con3	2402
+C1CN(CCC1(C(OCC)=O)F)C2CCN(CCC2)C(OCC)=O	85
+CC(C)(C)C(NCc1ccc(c(C(OCC)=O)c1F)Cl)=O	68
+c1cc2n3c(nc2cc1CO)CN(C)CC3	217
+Fc1cccc(F)c1S(=O)(=O)Nc2c(F)ccc(c2)C(OCC)=O	69
+C(c1cccc(c1)Nc2ncnc3c2[nH]cc3)(=O)O	6
+c1cc(ccc1[N+]([O-])=O)Oc2cc(C(OCC)=O)ccc2	46
+C1(N(CCC1(O)C#Cc2cccc(-n3c4CCN(Cc4c(n3)C(=O)N)c5ccncn5)c2)C)=O	314
+C(CCCCCCCCC)CCC(C(=O)OCC)Oc1cc(ccc1)[N+]([O-])=O	289
+CN1c2nc3c(cc2C(C(C(=O)O)=C1)=O)cc(F)c(Cl)c3	108
+C1NCCc2ccsc2C1	215
+n1c(cc(C)n1CCCC)C(=O)N	314
+c1c(c(N)c(C)c(F)c1C(=O)O)F	6
+C(C)OC(c1cc2n(c1)ncc(C#N)c2Cl)=O	2411
+CC(C)(C)c1ccc(cc1)Cn2c3c(cc2C(OCC)=O)cc(cc3)OC	190
+C(C)OC(c1cc2n(c1)ncc(C(=O)N)c2Cl)=O	1869
+CC1(C)C(C)(CCC1Nc2c3n(ncc2C(=O)N)cc(c3)C(OCC)=O)N	719
+c1([N+]([O-])=O)ccc(CO)nc1	194
+c1cc2c(cc1I)ncc(C(=O)OCC)n2	3377
+C(C)OC(c1cnc2c(ccc(N)c2)n1)=O	0
+c1cc(ccc1Oc2ccc(c3cc(C(=O)OCC)n(C)c23)Cl)[N+]([O-])=O	551
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5cc(C(OCC)=O)nn5ccc4	56
+C1CC1c2nc(Nc3c(nnc(Cl)c3)C(OCC)=O)ccc2	845
+CC(C)(c1nc(ccc1)Nc2c(nnc(c2)Cl)C(OCC)=O)C#N	845
+CC(C)(C)OC(N(C1CCN(CC1)Cc2ccccc2)CCP(OCC)(OCC)=O)=O	23
+c1cc(ccc1)COc2ccc(C=CC(=O)OCC)cc2OC	1097
+O=S(=O)(CC)c1ccccc1C(=O)C	720
+C(C)c1c(cccc1)-c2c3n(C)c(Cl)nc3ccc2	1088
+c1(nnc(Cl)c(CC)c1C)NN	599
+c1c(c(c([N+]([O-])=O)cc1)NC(C)=O)CC	31
+C(C)c1c(cccc1)-c2cccc3nc(n(C)c23)Nc4c(C)cc(cc4OC)Br	1494
+C12CC3CC(C1)CC(C2)(C3)NC(c4ccc(nc4SCCC)N5CCCC(C5)CC(OC)=O)=O	43
+FC(F)(F)Oc1ccc(cc1)CCNc2cc(N3CC(CCC3)CC(=O)OCC)nc(n2)OC	54
+C(OCC)(Oc1cc(C)c2c(B(OC2CC(=O)O)O)c1)=O	644
+C(CN(C)c1ccccc1CC=C)=C	2421
+O=Cc1cc(c(cc1Cl)OCC=C)Br	220
+c1(cc(Cl)c(cc1Br)OCC=C)F	220
+c1c2cccnc2ccc1OCC=C	220
+c1cc(ccc1COC(C)C(Cc2ccccc2)C(Cc3ccccc3)OCC=C)OC	848
+c1cc(ccc1CC=C)Cl	3394
+c1cc(ccc1Oc2ccc(cc2)C)OCC=C	220
+C(=O)(O)C=Cc1ccc2cc[nH]c2c1	127
+c1ccc2nccnc2c1[N+]([O-])=O	2424
+c1cc(ccc1)C(=O)c2ccc3nccnc3c2	2424
+CC(C)=CCn1c(Cl)nc2N(C(N(CC(=O)c3c(OC)cccc3)C(=O)c12)=O)C	1833
+C1CC1NC(=O)c2cc(c(cc2)C)N3C=Cc4c(cc(OCCCl)cc4)C3=O	8
+c1cc(ccc1Cc2ccc(cc2)-c3occn3)OCCCl	8
+FC(F)(F)c1cc(F)ccc1OCCBr	20
+n1n(cc(I)c1)CCO	338
+C1N(C(CN(CCO)C1)=O)C	1508
+C(O)CN1CC(C(CC1)N=[N+]=[N-])O	28
+c1cc(ccc1OCCO)Br	8
+c1cc(ccc1N(C)C)-c2nc3c(ccc(OCCO)c3)nc2	8
+Nc1nc(CC(NC2C(=O)N3C(C(=O)O)=C(CSC23)COC(=O)N)=O)cs1	2427
+C(OC(CCC#C)=O)CCC	456
+C(CCCCCC(OCC)=O)CCCCCCCCCO	27
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+C(CC(C(=O)OC)N)SC	27
+C(CC(N)C(=O)O)SC	3402
+C(CCC)C(CCCC)CO	44
+C(CCCCOCCCCC#N)OCCCCC	176
+c1cc(ccc1)C=2C(N(c3cnc(c(c3C=2)O)C(=O)OC)Cc4sccn4)=O	1510
+c1cc(ccc1)C2=Cc3c(c(C(=O)OC)ncc3N(C2=O)C(C)c4ccccc4)O	1510
+CC(C)(C)OC(NCC(CNc1cc(c2c(CC(=O)N2CCC)c1)F)O)=O	843
+C(CC)N1C(Cc2c1c(F)cc(N)c2)=O	0
+C(C)Cc1c(c(C(C)=O)ccc1OCCCCCOc2ccc3c(OC(CC3=O)C(O)=O)c2CCC)O	3
+c1ccccc1CNCCCCCCOCCCCCCc2ccccn2	132
+c1cc(ccc1C(CCC(OC)=O)=O)-c2c(cc(Cl)cc2)F	94
+c1cc(ccc1)COc2cc(CCCNC(=O)CCC(OC)=O)ccc2	68
+C(CCCNc1cccc(C)c1C)(OC)=O	15
+C(CCC)C1(CCCC)CN(c2ccc(cc2S(=O)(=O)C1)O)c3ccc(cc3)N	5
+CC(C)(C)OC(=O)Nc1ccc(cc1)N2c3ccc(cc3S(=O)(=O)CC(CCCC)(CCCC)C2)O	150
+CC(C)(C)OC(N1C(C(NCCCCCCCC)=O)CCCC1)=O	9
+CC(C)N(C(C)C)c1nc(nc(n1)NCCCCCCCC)N2C(C)(C)CC3(OCCO3)CC2(C)C	387
+c1cc(ccc1-c2cccc(C(=O)NCCCCCCCC)c2)C=C3C(NC(S3)=O)=O	14
+C1(=O)c2c(C(=O)N1C(CC(C)C)COc3cc4N(C(=O)c5c(C)nccc5-c4cc3C(OCC)=C)C)cccc2	3412
+FC(F)(F)c1ccc(cc1)Cc2c(C(NC3(CC3)c4ccc(cc4)-c5nnn[nH]5)=O)c(sc2C)C	2357
+O(C(=O)CCCCC(=O)C)C	325
+O=S(=O)(C)OCCCCC(SCC(OCC)=O)CCCc1cccnc1	7
+C1C(N(C(=O)CCCCCCC)CCC1)C(NCCCCCCCC)=O	3309
+c1ccccc1COC(NS(=O)(=O)NCCCCC)=O	2438
+C(CCCCCCOc1cc(F)ccc1)CBr	8
+c1cc(ccc1OCCCCCCCCBr)[N+]([O-])=O	8
+CC(C)(C)[Si](C)(C)OC(C)CCCCC(OC)=O	19
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(OC)=O	8
+C(CCCCCC(OCC)=O)CCCCCCCCCN	18
+C(CCCCCC(OCC)=O)CCCCCCCCCOCOC	433
+C(CCCCCC(OCC)=O)CCCCCCCCCN=[N+]=[N-]	3422
+C(CCCOCOC)CCCCCCCCCCCCO	44
+C(CCCCCC)NC(=O)N(C)c1cc(-c2c(cc(CCC(=O)O)cc2)OCCCCl)ccc1	4
+C(CCCCCC)NC(=O)N(C)c1cc(-c2c(cc(CCC(OC)=O)cc2)OCCCCl)ccc1	116
+C(CCCCCC)NC(=O)N(C)c1cc(-c2ccc(CCC(OC)=O)cc2O)ccc1	159
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2)N(C)C(=O)NCCCCCCC	17
+O=[N+]([O-])c1cc(ccc1N)OCCCCCCCCCCCCBr	8
+C1N(C(CCC1)CCO)CCCCCCCCCCCCCCCCCC	28
+Cc1nc(nc(C)c1)NCCCCCN(C(=O)CCCCCCCCCCCCC)CCC#N	58
+CN(C)CCCn1c(nc2cc(C)ccc12)CCCCCCCCCCCCCCCCC	849
+NC(CC(N)CCCCCCCCCCCCC)=O	18
+c1cc(ccc1-c2ccc(cc2)OCCCCCCCCCC)C#N	8
+FC(F)(C(Nc1cc(OC(CCCCCCCCCCCC)C(=O)OCC)ccc1)=O)C(F)Cl	26
+C(CCCCCCCCC)CCC(C(=O)OCC)Oc1cc(N)ccc1	0
+CCCCCCCCCCCCc1ccc(O)c(c1)N	0
+C(CCCCCCCCCCCCCN1C(=O)c2c(ncn2C)N(C1=O)C)CC=C	2386
+O=C1c2c(ncn2C)N(C(=O)N1CCCCCCCCCCCCCCCC(O)CO)C	1886
+c1cc(ccc1)COCCCCCCCCCC=C	149
+c1c([N+](=O)[O-])cc(cc1C(OCCCCCCCCOC(=O)C(=C)C)=O)[N+](=O)[O-]	279
+O(c1cc(F)ccc1)CCCCCCCCI	1273
+C(CCOCCCCCOCCCCC)CCN	51
+CC(C)(C)[Si](C)(C)OCCCCNc1c2ccccc2nc(c1[N+]([O-])=O)Cl	19
+CC(C)(C)OC(=O)N(c1c(C)c(C)ccc1)CCCC(=O)OC	603
+C(CCCCCCCCC=O)CCCCCCOCOC	24
+c1cc(ccc1OC)-c2nc(N(CCCOc3ccc4n(CC(OC)=O)ccc4c3)C)c(F)cn2	345
+c1(C(NCCCCCC)=O)cc(ccc1O)O	513
+CC(C)(C)[Si](C)(C)OCCCOc1ccc(Cc2c(nc(N)nc2C)NC(CCO)CCC)c(OC)c1	3420
+C(CCCOCCCOCCCCCCCCCCCCCCCCCC)O	967
+C(CCOCC#Cc1ccc(cn1)[N+]([O-])=O)CCCBr	769
+C(CCOCCCc1ccc(cn1)[N+]([O-])=O)CCCBr	587
+O=S(=O)(OCCCOCCCCCCCCCCCCCCCCCC)C	7
+c1ccccc1CNCCCCCCOCCc2ncccc2	132
+C(CCON=C(C(=O)O)c1nc(sc1)NC=O)CCCCC	1274
+C(CCON=C(C(=O)O)c1csc(N)n1)CCCCC	3
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1OCCCCCCCC)Br	19
+O=S(=O)(N(C(=O)OC)c1c(C(=O)OC)c2c(cc1)C3CC3CO2)c4c(cc(F)cc4)C=CCO	1511
+N1(c2c(C(=O)N(c3ccc(nc13)F)C)cc(CC=C)cn2)CC	3427
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(-c5ccnc(c5)C)c6cc(CC=C)c([N+]([O-])=O)cc46	1276
+C(CCc1cc2c(cccc2)cc1)c3onc(C(OCC)=O)c3	3429
+C(c1onc(C(O)=O)c1)CCc2cc3c(cccc3)cc2	6
+C[Si](C)(CCCC)CCCOc1ccc(cc1)OC(c2sc(CCCCCCCC)cc2)=O	852
+c1cc(ccc1S(=O)(=O)NCCCCC(SCC(OCC)=O)CCCc2cccnc2)Cl	71
+C(CCc1cccnc1)C(SCC(=O)OCC)CCCCN	18
+C(CCCC(CCCc1cccnc1)SCC(=O)OCC)O	168
+c1cc(ccc1NC(=O)CCCl)Nc2nc(c(cn2)Br)Nc3ccccc3	26
+C1CN(CCN1C(=O)c2cn(CCN)c3cc(Cl)ccc23)c4c(cccc4)F	1277
+C1CN(CCN1)c2cccc3ccc(OCC4CC4)cc23	386
+c1cc(ccc1N2CCNCC2)CC(C(OCC)=O)(C(OCC)=O)C	386
+C1CN(CCN1)c2cccc3n(ccc23)S(=O)(=O)c4c5ccccc5ccc4	386
+c1cc(ccc1Oc2cc(-c3ccccc3)ccc2N4CCNCC4)OC	386
+c1(OCCCl)cccc2ncccc12	1520
+c1cc(ccc1[N+]([O-])=O)C=Cc2ccc(N(CC=C)C)c(CC=C)c2	1521
+C(CN(C)c1ccc(C=O)cc1CC=C)=C	151
+c1ccccc1C2=Cc3c(c(nc(-c4cccnc4)c3N(C(C)c5ccccc5)C2=O)C(=O)NCCC(O)=O)O	658
+c1cc(ccc1)C2=Cc3c(cnc(c3O)C(=O)NCCC(O)=O)N(C2=O)Cc4sccn4	658
+c1cc(ccc1)CCC=2C(=O)N(Cc3ccccc3)c4c(C=2)c(O)c(C(=O)NCCC(O)=O)nc4-c5cnccc5	658
+c1cc(ccc1Oc2cc(ncc2)-c3cc(C(=O)NCCC(=O)OC)sc3)NC(Nc4cc(ccc4F)C)=O	227
+c12c(ccnc1cccc2)NCCCCCCCCOc3cc(F)ccc3	105
+CC(C)(C)C1CCC(CC1)c2cccc(NC(=O)Cc3ccc(c(OC)c3)OCCNCCO)c2	132
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(cc(C3CCN(CC3)C(NCCO)=O)cc2)C4=CCCCC4	1893
+FC(F)(F)c1cc(ccc1OCCNCCO)F	132
+N(CCO)c1c([N+]([O-])=O)cccc1Br	205
+c12C=CN(C(c1ccc(Cl)c2[N+]([O-])=O)=O)CCO	1892
+c12cc[nH]c1ccc(C(NCCO)=O)c2	14
+c1(C)cc(C(CNCCO)O)ccc1[N+]([O-])=O	122
+c1cc(ccc1OCCNCCO)C#N	132
+c1cc(ccc1C(=O)NCCO)[N+](=O)[O-]	93
+c1cc(ccc1CC2=C(C)C(=O)C(OC)=C(C2=O)OC)CCC(=O)NCCO	9
+c1cc(ccc1C2CC(CNCCO)CCC2)Cl	110
+CC1(C)CC(CCC1O)Nc2c(cnc(NCCc3c4c(n(C)c3)cccc4)n2)C#N	435
+N(c1c2c(sc(C)c2C)nc(n1)Cl)CCc3cc4c(OCO4)cc3	1108
+c1cc(ccc1CN(CCNC)C)-c2cc(C)cc(-n3c(C)ccc3C)n2	48
+CC1(C)CC2(OCCO2)CC(C)(C)N1c3nc(N(CCO)CCO)nc(n3)N4CCOCC4	436
+CC(C)(C)[Si](C)(C)OCCC(C)(C)CCO	19
+C1COCCN1c2c(F)cc(NN=C(C(=O)COC)C(=O)OC)c(c2)F	1894
+CC(C)(C)OC(=O)N(CCOCCn1c2c(nc1CCOC)cnc3c2cccc3)C	546
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4c(nn(-c5c(F)cccc5C=NCCOC)c4)C	853
+c1cc(ccc1Oc2c([N+](=O)[O-])cc(cc2)Cl)C(=O)NCCOC	93
+c1ccccc1Cn2c3nc(NCCOC)nc(N)c3nc2	96
+CC(C)NC(=O)C1CCC(CC1)Nc2cc(ncc2[N+](=O)[O-])OCCOC	91
+c1(c(F)c(c(c(OC)c1)F)N2C(C3(CC3)c4c(cnc(c4)-c5c([N+](=O)[O-])cnn5CCOC)C2)=O)OC	2426
+c1(cc(cc(C)c1-c2cc(COc3ccc(cc3)CCC(=O)OC)ccc2)OCCOCC)C	20
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCC#C)C	36
+OC12C(C(CC=NOCCN)CC1)(C)CCC3C2CCC4C3(CCC(O)C4)C	410
+C(CON=C(C(OCC)=O)C(=O)CCl)OCC	969
+C(CON=C(c1nc(sc1)NC=O)C(=O)OCC)OCC	1274
+N(C=O)c1scc(C(C(O)=O)=NOCCOCC)n1	3
+C12CC3(CC(C1)CC(C3)C2)CNC(c4c(Cl)ccc(c4)NCCNCCSC)=O	284
+CSCC(=O)NCCSC	9
+n1c(ncc(c1O)Cc2cc(ccc2)OC)NCCSCc3nccs3	1898
+C(CC[Sn](CCCC)(CCCC)C=CCC(C)(CCOC)O[Si](C)(C)C)C	2449
+c1(c[nH]c2c1cc(cc2)NC(CCCCC)=O)Cc3c(cc(cc3)C(=O)OC)OC	26
+c1c2CCOc2ccc1C(CCCCCl)=O	94
+c1(Cl)c(C(Nc2c(cc(C)cc2)O)=O)cc(Cl)s1	1899
+C12CC3CC(C1)CC(C2)(C3)NC(=O)c4c(Cl)nc(cc4)Cl	1281
+C1CN(CCN1C(CCl)=O)C2CCC2	1227
+O=S(=O)(c1ccc2CCC(Oc2c1)CNCC(=O)NC)c3cc(ccc3)F	402
+C1CCCC1C(C(OC)=O)c2ccc(cc2)OCC(=C)C	1282
+C(Cl)CCN1CCCC1C	28
+c1(cc(cc(F)c1OCCCCl)C(C)=O)F	8
+c1c(OCCCCl)c(cc(C(COC(C)=O)=O)c1)OC	8
+c1cc(ccc1OCCCCl)I	8
+COc1cccc2c(C(=O)C)cn(CCCCl)c12	557
+c1(F)ccc2N(CCCCl)C(COc2c1F)=O	727
+c1cc(OCCCN2CCCC2C)c(F)cc1Br	72
+C1OC(OCC1CO)(CF)CF	1526
+CC(C)(C)OC(NC(C1CCCCC1)C(=O)NC(C(=O)N)Cc2cnccc2)=O	207
+O(CCC#Cc1cccc(c1)NC(=O)N)CCCCCCBr	121
+c1ccccc1COC(NCCCBr)=O	101
+Fc1cccc(F)c1S(=O)(=O)Nc2c(ccc(-c3nc(sc3-c4ccnc(NCCCN5CCCC5=O)n4)C(C)C)c2)F	96
+n1c(Cl)cc(nc1NCCCOC)Cl	96
+CC(C)Oc1cc(CCc2[nH]nc(c2)Nc3ccnc(n3)NCc4onc(c4)C)ccc1	96
+c1c(c(ccc1OC)CNc2ncc(cc2)F)OC	182
+C(CN1CCCC1C)N	51
+C1C(C(CN(CCN2c3cc(cc(F)c3C=CC2=O)F)C1)O)NCc4ccc5c(n4)NC(=O)CO5	294
+Cc1nc(sc1C(NCc2cnccc2)=O)-c3[nH]ncc3	3470
+c1ccccc1-c2ccc(cc2)C(NC(=O)CNC(NCCCNc3ccccn3)=O)CC#N	9
+C(NCc1ccc(c(Cl)c1)Cl)(c2ccc(C(=O)O)s2)=O	6
+CC(C)OC(=O)COc1ccc(c(c1C)NCc2cc(cc(OC)c2)-c3cccc(F)c3)C	52
+c1cc(c(c(F)c1OCC(OCC)=O)NCc2cc(OC)cc(-c3cc(F)ccc3)c2)F	52
+C1COCCN1c2c(cc(cc2)Nc3nc(-c4cccc(NC(C=C)=O)c4)c5cnn(c5n3)C6CCCCO6)O	55
+C1c2c(CN(C(c3c4ccccc4nc(-c5cc(ccc5)F)n3)=O)C1)ccc(OC)c2O	147
+c1cc(ccc1OCCO)CC(NCC(c2cccc(n2)Cl)O)C	87
+C1CC(CCN1C(CO)=O)c2c3CC(C)Oc3c(Nc4nc(Nc5ccccc5S(=O)(=O)C(C)C)ncn4)cc2C	731
+c1(C(=O)NCC2N(CC2)C(=O)CO)cc(F)c(nc1NCCc3cccc(F)c3)-c4cnn(C)c4	731
+FC(F)(F)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3cccc(COCC(=O)OC)c3	1907
+C(O)C(CO)Cc1ccc(cc1)-c2ccc(cc2)O	16
+C1(NC(C)(COC1)c2cc(ccc2)Br)=O	467
+C1CC1c2c(cc3nn(c(C(=O)NC)c3c2)-c4ccc(cc4)Br)N(S(=O)(=O)C)CCCO	1233
+CC(C)(C)c1cc(ccc1)OCCCO	8
+c1cc(Br)nc([N+]([O-])=O)c1OCCCBr	1286
+c1cc(ccn1)SCCCO	636
+c1cc(ccc1OCCCCCCO)C=CC(=O)O	72
+CC(C)(C)OC(=O)NCCCCCCO	37
+C[Si](C)(C)OCCCN	19
+C(O)CCNc1c(F)cnc(Cl)n1	40
+c1ccccc1COC(NCCCO)=O	101
+c1cc(ccc1-c2nc3CN(C)Cc3c(N4CCOCC4C)n2)NC(=O)NCCCO	238
+C(CCN(C)c1c(cnc(Cl)n1)F)Oc2cc3c(n(CC(OC)=O)cc3)cc2	20
+CC(C)(C)[Si](C)(C)OCCCNc1nc(Cl)ncc1F	19
+n1c(NCCCOc2cc3c(cc2)n(cc3)C(C(OC)=O)C)c(cnc1Cl)F	126
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2nc(nc(OCCCO)c2Oc3ccccc3OC)N4CCOCC4	145
+n1cc(C#N)ccc1OCCCO	91
+C(OC)CCOc1cc[n+]([O-])c(c1C)C	857
+O=S(=O)(C)OCCN1CC(C(N=[N+]=[N-])CC1)O	7
+c1(Cl)ccccc1CNC(=O)N(C)CCO	384
+c1cc(ccc1CN(C)CCO)C(OC)=O	131
+C(O)Cn1ncc(C(OCC)=O)c1N	3480
+n1cc2c(n1CCO)CCCC2=O	3481
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(=O)CCCSCCO	1105
+CC(C)(C)OC(N1CCC(CC1)Nc2c(ccc(c2)[N+]([O-])=O)SCCO)=O	972
+c1c2c(ccc1OC)ncc(SCCO)c2	3445
+c1cc([N+](=O)[O-])c2ccccc2c1OCCc3c(cncc3)N	20
+C(O)Cc1ccncc1N	13
+C(O)Cn1ncc(C(=O)O)c1N	6
+O=Cc1cc(c(cc1Cl)OC)Br	39
+O=Cc1ccc(Cl)c2c1n3CCCN(c4ccc(cc4C)C(=O)N)c3n2	200
+C(OC(=O)C(C(OCC)=O)c1c(cc(C)c(N)c1)Cl)C	2471
+c1(C)c(N)cc(c(Cl)c1)CC(OCC)=O	976
+CC(C)(C)OC(=O)N1C(Cc2c(ccc([N+](=O)[O-])c2)C1)C(=O)OCC	663
+c1(Oc2cccnn2)cc(C)c3c(B(OC3CC(=O)O)O)c1	3
+CN(C)c1nccc(n1)Oc2cc3c(C(OB3O)CC(OCC)=O)c(C)c2	117
+C(OC(=O)CC1OB(c2c1c(C)cc(Oc3cccnn3)c2)O)C	1288
+C(C1OB(c2cc(cc(C)c12)O)O)C(=O)O	3
+C(OC(=O)CC1OB(c2c1c(C)cc(Oc3nnc(cc3)Cl)c2)O)C	1119
+C(OC(=O)CC1OB(c2c1c(C)cc(Oc3ccnc(n3)Cl)c2)O)C	185
+CC(C)Oc1cc(cc2B(OC(CC(OCC)=O)c12)O)Oc3nccnc3	313
+O=S(=O)(C)Nc1ccc(F)c(NC(OCC)=O)c1	80
+C(OC(=O)Nc1c(F)ccc(N)c1)C	0
+CC(C)(C)c1ccc(cc1)NCc2ccc(NC(=O)OCC)c([N+](=O)[O-])c2	608
+c1cc(ccc1C2(CC3CC2CC3)c4ccc(cc4)-c5nc(on5)COC(=O)C)OCc6ncccc6	859
+c1n(c2ncccc2n1)-c3ccc4C(C(OCC)=O)CC(=O)c4c3	3493
+Clc1cccc(Cl)c1NS(=O)(=O)c2nc3N=C(C)CC(n3n2)=O	3499
+c1(cc(c(c(C)c1F)Br)F)C(CC(OCC)=O)=O	980
+c1cc(ccc1-c2nc(c(o2)C)CC(OCC)=O)F	3320
+c1(c2NC(=CC(=O)n2nc1N)c3cc(F)ccc3)-c4ncccc4	1915
+c1cc(ccc1OC)CNc2cccc(C#CCCC(=O)OCCCC)n2	769
+CC(C)(C)OC(NCc1c(c2c(ccc(OCCCCC(OCC)=O)c2)nc1CC(C)C)-c3ccc(cc3)C)=O	8
+C(CC)CC(CCCC)C(=O)OCC	1917
+c1cc(ccc1-c2c(-c3ccccc3)nc4c(CCCN4CCCCCCC(OCC)=O)n2)C	1821
+O=S(=O)(OCC(c1cc(CCC(OCC)=O)cc(c1F)F)O)c2ccc(cc2)C	36
+CC(C)(CC1Cc2c(C1)cccc2)NCC(c3c(F)c(F)cc(c3)CCC(OCC)=O)O	1918
+O(CC)C(=O)C(Cc1cc(ccc1)OC)C=O	2474
+c1(c(C)c(c(c(C)c1-c2cc(CNc3cc(c(cc3)CCC(OCC)=O)F)ccc2)C)OCCOCC)C	208
+Cc1cc(cc(C)c1-c2cc(CNc3cc(c(cc3)CCC(OCC)=O)F)ccc2)OCCOCC	208
+CC(C)(C)c1ccc(cc1)CN2C(C(C(N(C3CCCCC3)C2=O)=O)C(=O)NCC(=O)OCC)=O	1537
+C1C(N(CC1)CC(=O)NCC(=O)NC)=O	271
+CCOC(OCC)COc1ccc(cc1)Oc2ccccc2	8
+FC(F)(F)S(=O)(=O)Oc1ccc2c(c1)CC(CC2)C(OC)=O	166
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)COc3cc4OC5=CC(C=CC5=C(c6c(cccc6)C(OC)=O)c4cc3)=O	22
+C1C2CC3CC(CC1C3(CCOC)C(OC)=O)C2	1232
+C1CCCC(n2c3ccc(cc3c(C=O)n2)OCCOC)O1	8
+C1CCCC1(CCOC)C(=O)OC	1232
+c1(C(=O)OC)cc(Cl)c(N)cc1OCCOC	8
+c1cc(cc(Br)c1OC)OCCOC	8
+C(OC)CCOc1cc(Br)cnc1O	788
+C(OC)CCNC(c1cnc(-n2ncc(c2OC)-c3cc(C)c(cc3)C#N)cc1)=O	1122
+c1c(C2C=NN(C2=O)c3ccc(cn3)C(NCCCOC)=O)cc(C)c(c1)C#N	2477
+C(OC)CCNC(c1cnc(-n2ncc(Br)c2OC)cc1)=O	3515
+C(OC)CCNC(c1cnc(-n2ncc(c2OC)C(=O)O)cc1)=O	6
+C(OC)CCNC(c1cnc(-n2ncc(c2OC)C(=O)OCC)cc1)=O	3516
+O(C)CCCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2	602
+C(OC)CCOc1c(c(ncc1)CCl)C	512
+C(OC)CCOc1c(c(ncc1)CO)C	59
+C(OC)CCOc1c(OC)ncc(c1)Br	766
+C(OC)CCOc1cc[n+](c(COC(C)=O)c1C)[O-]	983
+C(OC)CCOc1c(c(ncc1)COC(C)=O)C	174
+O=S(=O)(C)N(C)c1cc(C(O)=O)cc(N(CCOC)CC2C(C)C2)n1	43
+CC(C)(C)OC(=O)N(CCC(=O)OC)C(CC(N(C1CC1)Cc2cccc(c2Cl)Cl)=O)COCOC	433
+c1c(c2c(C)cccc2c(c1)C=O)OCOC	175
+c1cc(ccc1Br)OCOC	175
+c1cc(ccc1-c2ccc(C=O)nc2)COCOC	433
+FC(F)(F)c1c(C#N)cc(NC(=O)COC(C)=O)cc1	26
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3CCN(CC3)C(=O)COC(=O)C	58
+c1cc(ccc1Cn2nccc2)Oc3ccc(cn3)N4C(C(OCC)=O)(C(OCC)=O)CCC4=O	309
+CCOC(=O)NC(Nc1c(O)cccn1)=S	1123
+C(c1cccc(CC(=O)OCC)c1)Br	29
+C(C(Cc1cc(C)ccc1)=O)C#N	2479
+c1cc(ccc1C(CC)(CC)c2cc(C)c(C=CC(CC)(CC)O)cc2)-c3ncc(cc3)CC(OCC)=O	362
+CC(C)(C)OC(C(C)(C)Oc1cccc(CC(OCC=C)=O)c1)=O	517
+c1ccccc1CN(Cc2ccccc2)C(COCCOCCOC)C	176
+c1cc(ccc1OCCOCCOCCO)-c2ccc3c(c2)ccc(c3)N	72
+c1ccccc1COC(NC(C(=O)N2CC(CC2)OCCOCCOCCOCCOCCOC)c3ccccc3)=O	10
+C(OCn1c(Cl)nc2c(Cl)cccc12)COC	1544
+c1cc(ccc1[N+]([O-])=O)OCCOCOCCOC	433
+C(OCn1c(-n2ncc(C(=O)OCC)c2)nc3c(Cl)cccc13)COC	2482
+c1ccccc1N2CCN(CC2)CCCOc3cc(ccc3Cl)[N+]([O-])=O	28
+C1(c2ccccc2C(=O)N1CCCOc3cccc(CO)c3)=O	851
+FC(F)(F)Oc1ccc(cc1)C=2OC(SN=2)=O	1928
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CSc4ccccc4OC)O	604
+C(Sc1ccccc1OC)C(C=O)OC	24
+CC(C)(C)OC(=O)NC1CCN(CC1)CCSc2cnc3c(cc(cc3)OC)c2	61
+C(c1c(Br)c(C)cc([N+]([O-])=O)c1)C#N	163
+c1(c(Br)c(C)cc([N+]([O-])=O)c1)CC(=O)O	508
+CCCc1cc(c(N)c(Br)c1Cl)C#N	38
+c1cc(ccc1)CN(CCO)C(=O)Cc2cccnc2Cl	10
+CC(c1cc(c(c(c1O)CCC)O)Cl)=O	1550
+CN(C)C(Cc1c(Sc2c[nH]c3ccccc23)cccc1)=O	10
+c1c2c(c([nH]c2ccc1)C#N)Cl	331
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2c(OC)cc(c(C(CCCCCl)=O)c2)OC	69
+C(c1ccc(F)cc1C(=O)OCC)Oc2cc(F)ccc2	22
+C(C)Cc1c(c(C(C)=O)ccc1OCCCCCOc2ccc3c(c2CCC)OC(=CC3=O)C(OCC)=O)O	8
+c1cc(ccc1)COc2ccc3c(cccn3)c2CC=C	22
+C1(C(c2ccccc2OC)=COc3cc(O)c(Cl)cc13)=O	3535
+FC(F)(F)c1cc(ccc1)S(=O)(=O)CCSc2c(NC(Cc3c(cccc3)OC)=O)cccn2	469
+C1CN(CCC1(N(C(=O)Cc2c(C)ccc(C)c2)O)C#N)OC	1080
+CCOP(OCC)(=O)Cc1cccc(I)c1	590
+c1csc(c1)C(=O)Nc2cccc(C(=O)c3cc4NC(Cc4cc3)=O)c2	864
+c1c(OC)ccc(OC)c1C(=O)Cc2cc(cc(OC)c2)F	214
+CC(C)(C)OC(Cc1cccc(Br)c1)=O	3541
+c1cc(ccc1-c2cc(ccc2C)-c3nnc(C)o3)C(NCc4cc(ccc4)OC)=O	14
+CC(C)(C)OC(=O)n1c2c(cc(C)cc2cc1C(OC)=O)[N+]([O-])=O	389
+Clc1c(ccc(c1)C(N(OC)C)=O)Br	280
+N1=NN(c2c(Cl)ccc(C(=O)OC)c2Cl)C(=O)N1C	2493
+C(O)c1c2c(c(Cl)cc1)nc3n2CCCN3c4ccc(cc4C)C(=O)N	295
+C(c1ccc(Cl)c2c1n3CCCN(c4ccc(cc4C)C(=O)N)c3n2)(=O)OC	2393
+C(c1ccc(Cl)nc1NCCc2cccc(F)c2)(=O)OC	70
+C(#N)c1c(cccc1)-c2nc(c(C(OC)=O)cc2)NCCc3cccc(F)c3	140
+C(C#N)c1ccc(F)c(F)c1C	163
+OC(c1cc(F)ccc1COc2cc(F)ccc2)=O	6
+Clc1c(n[nH]c1C)C(=O)N(Cc2cc(c(cc2)Cl)Cl)CCCC	147
+c1cc(CC)cc(c1OC)-c2cc(c(cc2)O)C(CCl)=O	5
+c1cc(ccc1C)-c2cc(cc(C(=O)N(CC(C)C)C)c2)C(NCc3cnc(Cl)cc3)=O	14
+c1cc(ccc1)CN2CCCC(Cc3ccc4OCOc4c3)C2=O	1554
+CC(C)(C(C(N1C(C(NCc2cc3c(c(N)ncc3)cc2)=O)CCC1)=O)NC(OCC)=O)SC(C)C	9
+n1c2c(ccc1)cc(cc2)C(=O)OC	47
+C(c1ccc2ncccc2c1)Nc3c(ncc(Br)n3)N	941
+C(c1ccc2ncccc2c1)n3nnc4c3nc(cn4)Br	3545
+c1c(c(ccc1)F)-c2nc3c(nc2)nnn3Cc4cc5c(nccc5)cc4	356
+c1cc(CO)cc(CC(=O)OCC)c1	1555
+O(Cc1cccc(F)c1)c2cc3CCNC(=O)c3cc2	22
+C(c1cccc(F)c1)NC(=O)c2c(cc(Cl)nc2Cl)C	56
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F	285
+C(c1cccc(F)c1)NC(c2c(cc(Cl)nc2NCC)C)=O	70
+C1CN(CCO1)c2cc(c(c(NCC)n2)C(=O)NCc3cc(ccc3)F)C	43
+c12cc([nH]c1ncc(c2)CNCc3cc(ccc3)[N+]([O-])=O)C(OC)=O	249
+O=S(=O)(Cc1cc([N+](=O)[O-])ccc1)C	1547
+NNC(=O)c1cccc([N+]([O-])=O)c1O	296
+O1C(=O)C(C(OC1(C)C)=O)C(c2cc(F)ccc2)=O	3548
+c1ccc(cc1C(=O)OC)I	47
+C1CN(CCC1)C(c2cc(ccc2)Nc3c4c(cc[nH]4)ncn3)=O	30
+c1(c(c(C)ccc1)OCC#N)COCCCNc2ccc3c(cccc3)n2	149
+O(Cc1c(c(C)ccc1)OCC#N)c2cccc(O)c2	22
+c1ccc2ccc(nc2c1)COCCCCOCc3cccc(C)c3OCC#N	149
+C1(C(CC)=CN(C2CC(O)C(CN(C)C(Cc3ccccc3Br)=O)O2)C(N1)=O)=O	58
+c1cc(ccc1)NC(c2ccccn2)=O	772
+C1CN(CCC1Oc2c3cnn(c3ncn2)-c4ccc(cc4)S(=O)(=O)C)C(c5cccnc5)=O	1558
+c1cc(ccc1C(=O)OCC)-c2c(C)ccc(NC(c3cccs3)=O)c2	864
+c1cc(ccc1F)C2CN(CC23CCN(CC3)Cc4ccccc4)C(=O)c5cc(Cl)ncc5	115
+FC(F)(F)COc1ccc(OCc2ccccc2)cc1C(=O)NCc3nc(ccc3)O	93
+N#CCOc1c(COc2cccc(c2)OCCc3ccccn3)cccc1C	20
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)CCN(c3cc([N+]([O-])=O)c(C(NCc4ccccn4)=O)cc3)C1	14
+O=S(=O)(c1cc(ccc1)C(O)=O)NCc2ccccn2	71
+c1cnccc1SCCCNCc2ccccn2	1130
+c1ccccc1CN2C(CCC2=O)C(NC(Cc3ccccc3)C(C(NCc4ncccc4)=O)O)=O	9
+C(c1nccs1)N2C(C(Br)=CC(C(=O)OC)=C2CBr)=O	1093
+O=S(=O)(c1ccc(cc1)C)N(CC=2N(C(C(Br)=CC=2C(OC)=O)=O)Cc3sccn3)CC(=O)OC	3551
+n1c(cc(CCCc2cc3c(cccc3)cc2)o1)C(=O)NCC4OCOC4	81
+C(n1c(-c2c(ccc3[nH]ncc23)C)nc(c1Cl)Cl)CCC	1559
+C(n1c(-c2c(C)ccc(c2C)N)nc(c1Cl)Cl)CCC	0
+CC1(C)CC2=C(C(c3ccc(Sc4[nH]c5ccccc5n4)o3)c6c[nH]c(c6N2)C(=O)OCC)C(=O)C1	2503
+O=C(C(=NOC)c1csc(N)n1)NC2C(=O)N3C(=C(CSc4n(C)nnn4)CSC23)C(=O)O	471
+CC(C)(C)OC(CON=C(C(NC1C(N2C(C(O)=O)=C(CSC12)COC(=O)CC(=O)C)=O)=O)c3nc(sc3Br)N)=O	471
+c1c2CC(C3CC(N(C)C3=O)=O)C=Cc2ccc1	3566
+c1cccc2C(=O)N(C(=O)c12)CC(NC(=O)c3csc(-c4n(ncc4Cl)C)n3)Cc5cccc(F)c5	2405
+N1(c2c(F)cccc2C(=O)C1=O)C	3567
+c1cc(ccc1)C=2C=CC(N(CCN)N=2)=O	45
+O=C1c2ccccc2C(=O)N1c3nn(c(c3)C)Cc4c(cccc4)OC	1944
+c1ccccc1C(c2ccccc2)(c3ccc(cc3)OC)OCC4OC(N5C(=O)NC(C(I)=C5)=O)CC4O	604
+C1(C(CC)=CN(C(N1)=O)C2CC(OC(=O)C)C(O2)CN(C)C(Cc3ccccc3Br)=O)=O	152
+OC1C(O)CN(C1)C(=O)CNC(=O)c2[nH]c3ccc(Cl)cc3c2	731
+c1c(c(ccc1)OC)-c2c(-c3cc(Cl)c(cc3O)O)n[nH]c2	3575
+C1(CN(CC(C)N1S(=O)(=O)c2cccc(C#N)c2)CC(Nc3cccc(c3C)OC)=O)C	92
+c1cc(ccc1N2CC(C)NC(C)C2)OCCCN3CCCCC3	560
+C1(C)CN(CC(C)N1)CC(=O)Nc2c(c(OC)ccc2)C	224
+C1(C)CN(CC(C)N1)CCOCCN2c3ccccc3N(S2(=O)=O)c4ccccc4F	28
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOC(CC(C)=O)=O	1305
+c1ccccc1C2(CCN(CC2)CCNC(=O)CC(C)=O)c3ccccc3	3578
+C1(CC)Oc2c(OC1)ccc(C(=O)O)c2	872
+c1cc(ccc1)CN2CCCC(C2)C(O)=O	48
+CCC1CNCCC1N	215
+c12ccccc1NC(C2=Cc3[nH]cc(C)c3C)=O	292
+C1(N(c2c(Cl)cccc2)N=C(C1)C(=O)Cl)c3ccc(Br)c(F)c3	3586
+C1(N(N=C(C1)C(=O)O)c2c(Cl)cccc2)c3ccc(Br)c(F)c3	4
+c1(cccc(C2(C)COCC(N2)=S)c1)Br	199
+Clc1cc2NC(C(=O)Nc2cc1N=[N+]=[N-])=O	615
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(OCC)=O	610
+c1nc(c2n1-c3c(c(C(C)C=C)ccc3)OC2)C(=O)OCC	2515
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2c3c(cccc3)c(cc2)CN4C(c5c(C4=O)cccc5)=O	2517
+c1cc(cc([N+]([O-])=O)c1OCCCN)F	45
+c1cc(N2C(CCC2)c3nc(ccc3)OCCCN)nc4c(cnn14)C(=O)OCC	45
+C(Oc1cccc(CO)c1)CCN	45
+c12c(ncnc1CCC2)O	3597
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(Cl)ccc(NCCN(C(OC(C)(C)C)=O)CCS(C)=O)c4	441
+C12CC3CC(C1)CC(C2)(C3)CNC(c4cccn5c4cc(n5)CO)=O	194
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5cc(COCC(=O)O)nn5ccc4	3
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(Cl)ccc(NCCN(CCSC)C(OC(C)(C)C)=O)c4	23
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5cc(nn5ccc4)COCC(=O)OCC	337
+C12CC3CC(C1)CC(C2)(C3)NC(c4ccc(nc4SCCC)Cl)=O	1272
+C12CC3CC(C1)CC(C2)(C3)NC(c4ccc(nc4SCCC)N5CCCC(CC(O)=O)C5)=O	4
+CC(C)(C)OC(=O)N1CCOC2C1CCN(c3cc(cc(c3Cl)N)C#N)C2	23
+c12N(C=C(C(=O)OCC)C(=O)c1cc(c(N3CCC(N)C3)c2F)F)C(CCl)C	34
+C1CCCC2(CC1)CCC(C2)CO	460
+N1(c2ccc(C)c(c2C)COc3cccc4ccc(C)nc34)C(CO)CCC1	21
+C1(CCN(CC1CC)C(=O)OCC)N	316
+CC1CN(CC(C)O1)CCNC(=O)Nc2nc3c(cc(cc3)SC#N)s2	238
+C1C(CC1)(C(=O)N2CCC(Nc3cc(c4c(ccc(c4)O)n3)C)C2)c5ccc(cc5)Cl	5
+c1cc(ccc1Nc2nc(Cl)nc3CCCc23)C4(CCC4)C(OC)=O	73
+FC(F)(F)Oc1ccc(cc1)C#CCC2(CCC2)C(=O)OCC	121
+C1CCC1=CC(Nc2cc(F)ccc2)=O	1966
+c1cc(ccc1-c2csc(NC(C3CCC3)=O)n2)C(C)C	290
+c1cc(ccc1C(=O)C2CCC2)C	94
+C1C(CC1)CN2C3=C(C=C(c4cc(ccc4)Cl)C2=O)CN(S(=O)(=O)C)CC3	990
+CC(C)(C)OC(Nc1cc(-c2noc(C3CC(F)(F)C3)n2)ccc1C)=O	1289
+O=S(=O)(OCC1CC(C1)n2cc(c3c2ncnc3N)I)c4ccc(cc4)C	1312
+CC(C)(C)OC(=O)N1CCCC(CN)C1	23
+C1N(CC1O)c2c(F)c3N(C=C(C(=O)OCC)C(c3cc2F)=O)C4CC4	34
+C1N(CC1O)C(=O)OCc2ccccc2	66
+C1N(CC1Oc2cc(ccc2Br)F)c3cnc(cn3)C(=O)O	1
+Cc1c(c2n(c(cc(n2)N3C(CO)CCC3)-c4cc(Cl)ccc4)n1)I	790
+C1C(CO1)(COC)COc2c(ccc(OC)c2OCC3CC3)-c4cccc5C(=O)CCc45	8
+C1CC1N2C=C(C(c3cc(F)c(N4CCCC(NC(C)=O)C4)c(F)c23)=O)C(O)=O	34
+C1CCCN1CCN2C(c3c(C)c(C=C4C(Nc5c4cc(F)c(N)c5)=O)[nH]c3CC2)=O	292
+CC(C)(C)OC(=O)Nc1ncc(cc1)CN2CC(CC2)O	619
+FC(F)(C(F)(F)Cl)c1ccc(cc1)NC(c2cc(Br)c(N3CC(O)CC3)nc2)=O	43
+C1CN(CC1O)c2nc3ccc(Cl)c(N)c3cc2	286
+C1CN(CC1O)c2ccc([N+]([O-])=O)cc2F	34
+c1cc(ccc1Cc2[nH]c3ccccc3n2)C(=O)N4CCC(O)C4	30
+c1cc(ccc1OC(F)(F)C)NC(c2cc(Br)c(N3CC(O)CC3)nc2)=O	43
+c12nnc(n1cc(cc2)F)N3CC(CC3)O	3632
+C1CCC(C1)n2cnc3c(nc(N4CC(CCC4)O)nc23)Nc5ccc6CCCc6c5	117
+C1CCC(C1)n2cnc3c(nc(nc23)N4CCCC(C4)O)NCc5cc(OC)c(cc5)OC	117
+C1C2(CC1)c3c(NCC2)cccc3F	15
+c1cc(ccc1-c2n(cc(C(=O)N3CC4C(C3)C4)c2C)C)Cl	211
+c1cc(ccc1)COC(=O)N2CC3C(CC(C3)(c4ccccc4)O)C2	251
+CC(C)(C)OC(N1CC2CC1CN2c3cc(nc(n3)N4CC5CC4C5)-c6cnc(N)c(c6)C(F)(F)F)=O	117
+Clc1cnc(cc1)C(Nc2ccc(c(c2)C34NC(COCC3C4)=S)F)=O	187
+C1C2CC3CC(CC1C3)C2(CO)CCOC	95
+C1C2CC3CC(CC1C3C(=O)OC)C2	27
+C1C2CC3CC1(CC(C2)C3)CCN(C(=O)NCCCc4cc[n+](cc4)[O-])CCCCC	103
+C1C2CC3CC1(CC(C2)C3)CCN(C(=O)NCCCc4ccncc4)CCCCC	1132
+C1C2CC3CC1CC(C2)(C3)c4c(O)cc(c(c4)Br)C	957
+C1C2CC3CC1CC(C2)(C3)c4c(OCc5ccccc5)cc(C)c(Br)c4	22
+C1C2CC3CC1CC(C2)(C3)c4c(OCc5ccccc5)cc(c(B(O)O)c4)C	281
+C(CN1CCC2N3c4c(C2C1)cc(-c5c(c(Cl)ccc5)Cl)cc4CCC3)C	28
+N(C=O)c1scc(C(=NOCCOCC)C(=O)NC2C(N3C2SCC=C3C(=O)O)=O)n1	471
+c1ccccc1COC(=O)Nc2cc(F)c(C=3CCSCC=3)cc2	90
+O=S(=O)(C)OCC1CN(c2ccc(c(c2)F)C3=CCSCC3)C(=O)O1	7
+C1CC(CCC1)C(NC(c2c(c(nc3cc(Cl)ccc23)-c4ccccc4)CBr)=O)C	223
+C1CC(CCC1)NS(=O)(=O)c2ccc(CBr)c3c2cccc3	29
+C1CC(CCC1C(=O)OCCCC)C(O)(c2ncc(Br)s2)C	617
+C1CC2COCC(=O)N2CC1c3n4ccnc(Cl)c4c(Br)n3	794
+C1CC(c2ccc(OC)c(c12)Br)=O	38
+C1N(CCCNC1=O)c2sc(c(Cl)n2)Br	617
+CC(C)(C#N)c1cc(cc(C(C)(C)C#N)c1)CBr	29
+CC(C)(C)C(=O)Nc1c(-c2ncccc2)cc(Br)c(F)c1	38
+CC(C)(C)NS(=O)(=O)c1c(OC)ccc(CBr)c1	29
+CC(C)(C)OC(=O)CON=C(c1nc(sc1Br)N)C(=O)O	617
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C(CCCBr)(C(=O)OC1CCCC1)C	552
+CC(C)(C)OC(=O)N1CCc2cc(Br)sc2CC1	407
+CC(C)(C)OC(=O)Nc1ccc2cc(C#N)ccc2c1Br	38
+CC(C)(C)OC(=O)Nc1ncc(cc1)CBr	223
+CC(C)(C)OC(=O)n1c(cc2c1c([N+](=O)[O-])cc(c2)CBr)C(OC)=O	29
+CC(C)(C)[Si](C)(C)OCCCN1C(N(C)c2sc(c(C)c2C1=O)Br)=O	407
+CC(C)(C)[Si](C)(C)Oc1c2c(ccc(n2)C)c(cc1)Br	1977
+CC(C)C(N1CCC(CC1)CBr)=O	552
+CC(C)S(=O)(=O)c1ccc(cc1)-c2cnc(N)c(n2)Br	439
+CC1(C)Oc2c(c(c(Br)c(c2C)C)C)C1	38
+CC1(C)Oc2c(cc(cc2C1)Cl)CBr	543
+CC1(C)CCc2c1cc(C=O)c(O)c2Br	38
+C(C)C(CC)Oc1c(NC)nc(c(Br)c1)I	203
+C(Br)c1cccc(Br)c1Cl	29
+c1cc(I)c(Cl)cc1CBr	29
+c1cc2c(ccc(NC(C)=O)n2)cc1CBr	29
+c1(CBr)c(-c2nnsc2)cccc1	29
+ClC(Cl)=C(Cl)c1cc(cc(C(Cl)=C(Cl)Cl)c1)CBr	29
+Nc1cc(Cl)c(Br)cc1C#N	38
+Clc1cc(c(CBr)cc1)C(=O)OCC	29
+c1c(Cl)c(c(c(N)c1[N+]([O-])=O)Br)Cl	38
+Clc1ccc(CBr)nc1Cl	299
+Clc1cccc(c1)-c2nn(-c3cc(CBr)c(Cl)cc3)cc2	29
+FC(F)(F)c1c(N)c(cc(Br)c1)Cl	38
+FC(F)(F)c1cc([N+](=O)[O-])c(c(c1)Br)NC	38
+FC(F)(F)c1ccc(c(c1)Br)CBr	29
+FC(F)(F)c1ccc(cc1)-c2nc(CBr)c(C(OC)=O)cc2	299
+Nc1c(c(Cl)c(cc1)Br)C	38
+C(OC)C(COC)(C(OC)=O)c1cc(c(O)c(c1)Br)C=O	38
+O(C)c1c(Cl)cc(c(F)c1[N+](=O)[O-])CBr	543
+O(CC)P(OCC)(=O)C(F)(F)c1c(Cl)cc(CBr)cc1	29
+O1CCOC12CC3CCOc4cc(N)c(cc4C3(CC2)CC)Br	38
+c1c(cc2NC(=O)CC3N(c2c1)CCNC3)Br	38
+O=C1c2c(C(=O)N1C(COc3cc4N(C(=O)c5c(ccnc5C)-c4cc3Br)C)CC(C)C)cccc2	38
+O=S(=O)(C)Nc1cc(Nc2ncc(Br)s2)ccc1	617
+O=S(=O)(Oc1ccc(Cl)c(c1)CBr)C	29
+O=S(=O)(c1cc(-c2sc(cc2)-c3nn(C)cc3Br)ccc1)C	875
+O=S(=O)(Cl)c1cc(CBr)ccc1	29
+O=S(=O)(N(C)C)NC(c1cc(F)c(cc1F)CBr)=O	29
+c1c(cc(CCO)c(c1)O)Br	38
+c1(-c2ncon2)cc(F)c(CBr)cc1	29
+c1(cc(C)cc(c1)CBr)CC(O)=O	29
+c1(I)cc(ccc1F)CBr	29
+Nc1c(cc(cc1C)F)Br	38
+C(c1c(Br)c(C)cc([N+]([O-])=O)c1)Br	29
+c1(c(OCc2ncccc2)nc3c(c(Br)cn3C)c1)F	1978
+Clc1cc(c(cc1)Oc2c3c(cccc3)ccc2)CBr	29
+C(OC(=O)Nc1c([N+]([O-])=O)cc(cc1)CBr)C	29
+c1(cc(Br)c(C#N)cc1NC)[N+]([O-])=O	38
+c1c(cc(c(CBr)c1)C(=O)OCC)Br	29
+c1cc(ccc1)C=2C(N(c3c(c(O)c(C(OC)=O)nc3Br)C=2)C(c4ccccc4)C)=O	408
+c1ccccc1CCC2=Cc3c(c(C(OC)=O)nc(c3N(C2=O)Cc4ccccc4)Br)O	408
+c1cc(ccc1)CCCCBr	552
+c1cc(ccc1)Oc2c3c(O)c(nc(Br)c3ccc2)C(OC)=O	408
+c1cc(ccc1C(C2CCC2)=O)CBr	29
+c1cc(ccc1Cl)C(=O)c2cc(Br)ccc2N	38
+c1cc(ccc1-c2c(F)cccc2)CBr	29
+C1CC(CCO1)c2cc(c(cc2)OC)Br	38
+c1cc(ccc1C(Br)CCOC)Cl	3658
+c1cc(ccc1-c2c(Br)n3c(n2)CCCC3)F	984
+C1CC2CCN1CC2Oc3nnc(-c4ccc(c(c4)Br)N)cc3	38
+c1cc(ccc1)Oc2cccc(CBr)c2OC	29
+C(c1nccs1)N2C(C(Br)=CC(C(=O)OC)=C2C)=O	3644
+n1c2cccc(C(=O)OC)c2oc1-c3cc(Br)cnc3N	203
+c1(Br)cnc(s1)-c2cc(c(F)cc2)C#N	617
+C(C(c1cc2CCOc2cc1)=O)CC(=O)O	882
+CN(C)CC(OCCCCCCCCC=CCC=CCCCCC)COC(CCC(O)=O)=O	996
+c1c(NC(CCC(=O)O)=O)c(c(C)cc1)C	1979
+c1c(cc(c(OC)c1)OC)C(=O)CCC(O)=O	882
+c1c(Oc2cccc3sncc23)c(cc(c1)Nc4ncnc5c4n(CCOC(CCC(=O)O)=O)cc5)Cl	996
+c1cc(ccc1COC(CCC(O)=O)=O)Nc2cc(-c3c(ccc(Cl)c3)OCC)nc(N)n2	996
+c1cc(ccc1C(=O)CCC(O)=O)SC	882
+C1CC(c2c1c(cc([N+]([O-])=O)c2O)Br)=O	77
+c1cnc(Cl)c(CNC(C2CCC3N(C(=O)COC3)C2)=O)n1	9
+CC(C)(C)OC(N1CC(c2ccc(cc2)NC(OC3CCC(F)(F)CC3)=O)CC1)=O	589
+C1CCCCC1(NC(Cc2cc(ccc2C)Br)=O)C(=O)OC	188
+C1CC(CCC1)(C)c2c(ccc(F)c2)O	957
+CC(C)[Si](C(C)C)(C(C)C)OCC1(CCCCC1)N	19
+c1cc(ccc1)-c2nc3cc(Cl)ccc3c(C(NC(C)C4CCCCC4)=O)c2CN5CCC(CC5)N6CCCCC6	619
+FC(F)(F)c1cc(c(cc1)-c2ncnc(Oc3c4c(ccc3)sc(NC(C)=O)n4)c2)NCC5CCCCC5	291
+c1cc(ccc1)COC(CNCC2CCCCC2)=O	1315
+C1CC(CCC1)CC(C(NC2C(O)CN(CCC)C(CC2)C)=O)NC(=O)c3occc3	1585
+O=S(=O)(N1C(C)CCC(NC(C(NC(=O)c2occc2)CC3CCCCC3)=O)C(O)C1)c4ncccc4	1585
+C1CCCCC1N2C(=O)C(=O)Nc3c2cc([N+](=O)[O-])c(c3)Cl	77
+CC(C)(C)c1ccc(cc1)CN2C(CC(=O)N(C3CCCCC3)C2=O)=O	1984
+c1cc(ccc1NC(N)=NC2CCCCC2)Cl	3672
+C1CC(CCC1)N2C(C(=O)Nc3cc(Cl)ccc23)=O	2548
+C1CC(CCC1)Nc2c(cc(Cl)cc2)N	0
+CC(C)(C)OC(=O)NCCC(=O)N(C1Cn2c3cc(C(OC)=O)ccc3c(c2-c4ccccc4OC1)C5CCCCC5)C	10
+C1CC(CCC1)c2c-3n(c4cc(C(OC)=O)ccc24)CC(N(CCCN)C)COc5c-3cccc5	15
+C1CC(CCC1)c2c([nH]c3c2ccc(C(OC)=O)c3)-c4ccccc4CCO	168
+C1CCCCC1c2cc(c(CC(OC)=O)cc2Cl)OC	662
+C1CC(CCC1)c2cc(c(CC(=O)OC)cc2)OC	27
+C1CC(CCC1C2CCC(CC2)=O)c3c(cc(cc3)C4CCC(CC4)CCCCC)F	97
+C1CC2(CCC1(c3ccc(cc3)Br)C(=O)OC)OCCO2	381
+C1CC(CCC1N(C)C)(O)c2cccc(Br)c2F	1589
+C1CC(CCC1C(=O)OCCCC)C(O)(C)c2sccn2	3679
+FC(F)(F)c1ccc2c(C(CC(N2C(=O)C3CCC(CC3)CC(=O)OCC)CC)NC(=O)OCc4ccccc4)c1	192
+CC(C)NC(=O)C1CCC(CC1)Nc2cc(Cl)ncc2[N+](=O)[O-]	105
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)C(=O)O)ccc(Br)c1	71
+C1CC(CCC1C(=O)O)CNC(OCc2ccccc2)=O	101
+C1CC(CCC1CNC(=O)OCc2ccccc2)C(NCc3nccnc3Cl)=O	9
+C1CC(CCC1C(=O)N2CCC(CC2)N(C)C)Nc3nc(ccn3)-n4ccc5c4cccc5OCCCS(=O)(=O)C	10
+C1CC(CCC1C(=O)OCC)Nc2nc(ccn2)-n3ccc4c3cccc4OCCCS(=O)(=O)C	306
+C1CC(CCC1C(=O)O)Nc2nc(ccn2)-n3ccc4c3cccc4OCCCS(=O)(=O)C	3
+C1CC(CCC1C(=O)OCCCC)C(O)(c2ncc(-c3cc(C)cc(Nc4ncc(c(C)c4)F)n3)s2)C	2332
+C1CC(CCC1C(C)(O)c2ncc(Br)s2)C(O)=O	1317
+C1CC(CCC1C(OCCCC)=O)CO	647
+[nH]1c2c(c3c1CCC(C(=O)O)C3)cccc2Cl	518
+c1cc(ccc1)-c2nc(NC3CCC(CC3)C(O)=O)nc(n2)NC	387
+CC(C)(C)OC(=O)NC1CCC(CC1)C(=O)OC	37
+C1CC(CCC1CN)C(OCCCC)=O	18
+C1CC(CCC1COS(=O)(=O)C)C(OCCCC)=O	7
+C1CC(CCC1C2CCC(CC2)C3OCC(CO3)CCCC)=O	3682
+C1CC(CCC1CCCCC)c2cc(c(cc2)C3CCC(CC3)C4CCC(CC4)O)F	100
+O1CC(COC1C2CCC(CC2)C3CCC(CC3)O)CCCC	100
+C1CC(CCC1C2Cc3c(c(F)c(cc3CC2)OC(CCC)C#C)F)CCC	3683
+C1CC(CCC1CCC)C2Cc3c(F)c(c4c(c3CC2)C=CC(CCC)O4)F	1318
+C1CC(CCC1CC#N)C=O	24
+c1nc(ncc1)NC2CCC(CC2)CC(=O)OCC	96
+c1cc(ccc1-c2nc(sc2)Nc3cc(ccc3)OC)C4CCC(CC4)CC(=O)OCC	354
+C1CCCC1NCCNC2CCC(CC2)CC(=O)NC3Cc4c(c(C(O)=O)ccc4)OB3O	87
+C1CC(CCC1CCC)C2CCc3c(c(c(c4OC(CCc34)CCC)F)F)C2	374
+C1CC(CCC1CO)CCCCC	21
+c1ccccc1COc2cc3ccc(C=CC4CCC(CC4)CCCCC)cc3cc2	1992
+C1CC(CCC1c2ccc(cc2F)C3CCC(CC3)CCCCC)C4CCC(CC4)OCCC	176
+CC(C)(C)OC(NCC1CCC(CC1)C(OCCCC)=O)=O	37
+C1CC(CCC1c2ncc3c(Cl)nccn23)CNC(OCc4ccccc4)=O	856
+C1CC(CCC1CCCCC)C=O	24
+O=S(=O)(OCC1CCC(CC1)COC=C)C	7
+C1CC(CCC1CC#N)CO	1000
+C1CC(CCC1COCC(F)F)N2CCC(CC2)N3C4CCCCC4OCC3=O	85
+C1CC(CCC1C(OCCCC)=O)CN=[N+]=[N-]	133
+C1CCC1C(Nc2nc(Cl)nc3ncn(c23)CC4CCC(CC4)CI)C	1319
+C1CC(CCC1Cn2cnc3c2c(nc(Cl)n3)NC(C)C4CCC4)CO	21
+C1CC(CCC1Cn2c3c(nc2)nc(Cl)nc3NC(C4CCC4)C)C(=O)O	4
+C1CC(CCC1COS(=O)(=O)c2ccc(cc2)C)Cn3cnc4c3c(nc(Cl)n4)NC(C)C5CCC5	36
+CN(C)C1CC=C(CC1)c2cccc(Br)c2F	252
+CC(C)(C)OC(NCCNC1CCC(CC1)CC(NC2Cc3cccc(c3OB2O)C(O)=O)=O)=O	110
+CC(C)ON=C1CCC(CC1)N2c3ncnn3C(=C(C2=O)Cc4ccc(cc4)-c5c(C6=NOC(=O)N6)cccc5)CCC	350
+CN(C)c1cc(ncn1)NC2CCC(CC2)NC(=O)c3cc(c(cc3)F)F	40
+O=S(=O)(c1cc(c(cc1)OC2CCC(CC2)N)C3=CN(C(c4ccccc34)=O)C)C	57
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3CCC(CC3)O	17
+c1ccccc1COC(=O)NCC2CCC(CC2)c3n4c(c(I)n3)c(Cl)ncc4	3616
+c1cc(ccc1[N+](=O)[O-])NC(N(O)C2CCCCCCC2)=O	3693
+c1cc(ccc1S(=O)(=O)N2CCC(CC2)(F)C(=O)OCC)C	92
+FC(F)(F)C(=O)N1CCC(CC1)=O	520
+FC1(F)Oc2c(O1)c3[nH]c4CCNCc4c3cc2	518
+O(CC)P(OCC)(=O)CCN1CCC(CC1)=O	28
+C1CN(CCC1=O)S(=O)(=O)c2cccc(Cl)c2	92
+CC(C)(C)OC(N1CCC(CC1)C(c2ccccc2)=O)=O	23
+c1cc(ccc1)-c2nc(nc(n2)N3CCC(CC3)C(=O)O)NC	436
+C1CC(CCN1c2c(c(c(-c3ncc(CC)o3)cn2)SC)Cl)C(=O)OC	43
+n1cc(cnc1N2CCC(CC2)C3(C)Oc4ccc(cc4C3)Br)C5CC5	117
+C1CN(CCC1CCCC)CCCN2c3c(c(F)c(cc3)F)OCC2=O	53
+c1cc(ccc1)C(N2CCC(CC2)CCO)=O	115
+O=S(=O)(N1CCC(CC1)COc2c3ccccc3nc(c2)C)CCC4C(NC(N4)=O)=O	112
+C1CN(CCC1COc2cc(ccc2)C(OC)=O)c3ncc(cn3)[N+]([O-])=O	117
+CC(C)(C)OC(=O)N1CCC(CC1)Cc2c[nH]c3ccccc23	23
+C1CC(CCN1S(=O)(=O)C)Cc2nc3ccc(cc3o2)-c4c5c(cc(F)cc5)n(S(=O)(=O)c6ccccc6)c4	112
+CC(C)(C)OC(=O)N1CCC(CC1)N2CCC(CC2)N3C4CCCCC4OCC3=O	85
+c1cc(ccc1Cc2ccccc2OCCCN3CCC(CC3)N4c5ccccc5NC4=O)C(N(CC)CC)=O	28
+FC(F)(F)c1cc(N2CCC(CC2)NCC(c3n(C)c4c(cccc4)n3)O)nc(Cl)c1C#N	43
+C1CC(CCN1c2c(cc3C(C(=CN(c3n2)C4CC4)C(O)=O)=O)F)Nc5ccc(N6C(=O)OC(CNC(C)=O)C6)cc5F	43
+c1cc(ccc1-c2ccc(nc2)OC3CCN(CC3)S(=O)(=O)CC(C(C)C)C(N4C(COC4=O)Cc5ccccc5)=O)F	112
+CC(C)S(=O)(=O)c1ccccc1Nc2nc(Nc3c4OC(C)Cc4c(C5CCNCC5)c(C)c3)ncn2	360
+C1CC(CCN1C)c2cc(OC)ccc2Br	113
+c1cc(ccc1C2CCN(CC2)C(c3c(cc(C)c(c3)C=O)CC)=O)C#N	30
+C1CN(CCC1c2ccc(cc2)F)C(=O)c3cnc(cc3Nc4cc(C)ccc4Cl)O	211
+CC(C)c1nc(on1)N2CCC(CC2)CO	880
+C1CC(CCN1C(=O)CN(C)C)Oc2cc3c(ncnc3Nc4ccc(c(Cl)c4)OCc5nccnc5)cc2	73
+C1CN(CCC1C=O)C(=O)COC(=O)C	24
+c1ccccc1COC(=O)Nc2ccc(cc2)C3(CCN(CC3)C(=O)OCc4ccccc4)O	251
+c1ccccc1C(NC(C2CCN(CC2)C)=O)C(NC3CCCC(N4c5cccc(Cl)c5-c6noc(c6C4=O)C)C3)=O	207
+C1CC(CCN1C)Oc2cccc3ncnc(c23)Nc4ccc(c(C)c4)O	73
+C1CC(CCN1C)Oc2c3c(ccc2)ncnc3Cl	64
+C1CN(CCC1Oc2cccc3ncnc(Nc4ccc(OCc5c(C#N)cccc5)c(C)c4)c23)C	139
+C1CC(CCN1C)c2cc(c([N+](=O)[O-])cc2Br)OC	77
+C1CC(CCN1C)c2c(Br)cc(N)c(OC)c2	0
+C1CN(CCC1N2C(N(Cc3ccc(OC)c(c3)OC)C(c4cc(OCC#N)ccc24)=O)=O)C=O	489
+FC(F)(F)c1c(C)cc(cn1)CNC2CCN(CC2)CC3CN4C(C=CC5=C4N3C(=O)C=C5)=O	249
+C(OP(OCC)(CCN1CCC(CC1)N(C)S(=O)(=O)c2ccc(cc2)Nc3nc(Nc4cc(C)c(cc4)F)ccn3)=O)C	92
+C1CN(CCC1NC(=O)c2c(Cl)cc3c(NC(CS3)=O)n2)CCSc4cnc5c(cc(cc5)OC)c4	81
+c1cc(ccc1CN2CCC(CC2)c3c(C)ccc(N)c3)Oc4cc(c(cc4F)F)F	890
+C1CC(CCN1Cc2ccc3c(c2)cccc3)Nc4c5cc(ccc5c(nn4)-c6cccc(OC)c6)OC	232
+C1CC(CCN1Cc2ccccc2)(Nc3ccccc3)COC	76
+c1ccccc1CN2CCC(CC2)(N(C(=O)CC)c3ccccc3)COC	192
+C1CN(CCC1(CCN)O)Cc2ccccc2	15
+c1ccccc1CN2CCC(CC2)C(=O)NC	9
+C1CC(CCN1S(=O)(=O)C)Cc2oc3cc(-c4c5c([nH]c4)cc(cc5)F)ccc3n2	741
+C1CC(CCN1S(=O)(=O)c2cccc(Cl)c2)(NC(=O)C3CCCCC3)C#N	68
+O=S(=O)(c1sc(cc1)Cl)NC(C2CCN(CC2)c3c(c(S(C)=O)c(-c4oc(CC)cn4)cn3)Cl)=O	344
+C1CC(CCN1c2c(c(S(C)=O)c(-c3oc(CC)cn3)cn2)Cl)C(=O)O	4
+C1CC(CCN1c2c(c(S(C)=O)c(-c3oc(CC)cn3)cn2)Cl)C(=O)OC	357
+c1cc(ccc1N2CCC(CC2)(OC)Cc3c(F)cccc3)C(N)=O	1602
+C1CN(CCC1NCC(O)COc2cccc3NC(Nc23)=O)c4ccc(cc4)NS(=O)(=O)c5ccc(cc5)NC(C)=O	87
+C1CN(CCC1NCCCc2ccccc2)c3ccc(cc3)OC	15
+CN(C)C(C1CCN(CC1)c2cccc(c2)Br)=O	10
+C1CC(CCN1c2cccc(c2)Br)C(=O)O	3
+C1CC(CCN1c2nc(no2)C(C)C)COc3ccc(-c4c(cc(cc4)S(C)=O)F)nc3	2571
+C1CN(CCC1Nc2nc(ncc2Cl)Nc3cn(C)nc3)c4ncc(cc4)C#N	486
+C1CN(CCC1O)c2scc(n2)CN3CCN(c4c5c(cccn5)cc(C)c4OCCCC(=O)OC)CCC3	3708
+C1CC(CCO1)(O)Cn2c3c(cnc4ccccc34)nc2COCC	546
+C1COCCC1(C#N)N	661
+C1CC2(OCC(CO2)CO)CCO1	1526
+CC(C)(C)OC(Nc1nc(c(NC(C2CCOCC2)=O)cc1)C#Cc3ccccc3)=O	469
+C1COCCC1C(=O)Nc2nnc(cc2)N3CCN(C(=S)Nc4cccc5c4cccn5)C(C(C)C)C3	142
+C1CC(CCO1)CC(C(Nc2ncc(C(=O)O)s2)=O)c3ccc(cc3)S(=O)(=O)C	6
+C1CC(CCO1)CC(C(=O)Nc2ncc(C(OCC)=O)s2)c3ccc(cc3)S(=O)(=O)C	373
+C1CC(CCO1)CC(C(Nc2sc(C(=O)NC)cn2)=O)c3ccc(cc3)S(=O)(=O)C	454
+CC(C)(C)n1c(Br)c(cn1)-c2nc(cs2)CC(NCC3CCOCC3)=O	9
+C1CC(CCO1)CNc2c3c(cccc3)nc(Cl)c2[N+](=O)[O-]	105
+C1CC(CCO1)CNc2c(cnc3ccccc23)[N+](=O)[O-]	105
+C1CC(CCO1)CNc2c(N)cnc3ccccc23	13
+C1COCCC1CNc2c3ccccc3nc(Cl)c2N	13
+C1CC(CCO1)Oc2ccc(cc2)C(=O)c3ccc(cc3)[N+]([O-])=O	20
+c1cc(ccc1)CNc2cc(ccc2OC)C3CCOCC3	250
+CC(C)(C)C(NCc1ccc(c(c1F)C(Nc2cccc3c2nc(nc3NC4CCC(F)(F)CC4)C)=O)Cl)=O	487
+CC(C)CN1C(C(=O)N)CCCC1	2575
+C1CC(NCC1)C(=O)N	327
+[N-]=[N+]=NC1CCc2c(C)cccc12	841
+C1CC(c2c1c(cc([N+]([O-])=O)c2OC)Br)=O	65
+C1c2c(c(c(cc2Br)[N+]([O-])=O)OC)C(C1)=CC#N	2011
+C1CC(c2ccc(c(c12)Br)O)=O	5
+FC(F)(F)S(=O)(=O)Oc1ccc2C(=O)CCc2c1Br	166
+C1CC1(NC(C2CCCCC2c3nc(sc3-c4ccc(cc4)N5CCS(=O)(=O)CC5)N6CCC(F)(F)CC6)=O)C#N	9
+C1CC1(C#N)NC(=O)C2C(c3c(nc(o3)-c4cccc(c4)Cl)-c5ccc(cc5)Br)CCCC2	9
+c1cc(ccc1-c2nc(-c3cccc(c3)Cl)oc2C4CCCCC4C(=O)NC5(CC5)C#N)N6CCS(=O)(=O)CC6	79
+C1CC1(C(OCC)=O)Oc2cc(NC(OCC)=O)c(F)cc2Cl	90
+C1CC1(NC(c2cncnc2)=O)C(O)=O	3
+c1(-c2cc(cc(-c3cccc(Cl)c3)c2OCOC)C(NCC4(CC4)COCCCCc5ccccc5)=O)cccc(Cl)c1	176
+C1CC1(Nc2cccc(c2)C3Nc4c(Cl)cc(C#N)cc4C(C)(C)C3)C(=O)O	2012
+c1cc(ccc1CNC(C2(CC2)NC(=O)c3cncnc3)=O)Oc4c(cc(cc4)Br)Cl	9
+C1CC1(C(=O)OCC)Oc2c(cc(c(N)c2)F)Cl	0
+FC(F)(F)c1ccc(cc1)Cc2c(c(sc2C)C)C(NC3(CC3)c4ccc(cc4)C#N)=O	2582
+c1cc(ccc1Nc2cc(ccn2)-c3ccccc3)CC(NC(C)=O)C4OC(N(C5(CC5)c6cccc(C(C)C)c6)C4)=O	201
+C1CC1(c2ccccc2)Nc3cc(ncc3C(=O)N)Cl	105
+c1cc(ccc1N2CCN(CC2)C(CC)=O)Nc3ncc(c(NC4(CC4)c5ccccc5)c3)C(N)=O	201
+C1CC12C(CN(c3c(cc(c(F)c3OC)C(O)=O)F)C2)NC(c4ccccc4)C	6
+CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O	123
+c1cc(ccc1CC2N(C(=O)C3CC3)CCC2)Cl	58
+C1CC1C2(COCC(=O)N2)c3c(ccc(c3)Br)F	467
+CC(C)COc1nc(CNc2ncnc(c2)C(CC(=O)OCC)C3CC3)ccc1-c4c(F)ccc(OC)c4	40
+FC(F)(F)CC(=O)Nc1ccc(cc1)Sc2nc(cc(N3CC(C3)(C4CC4)F)n2)Nc5n[nH]c(c5)C	3624
+C1CC1C2(CN(C2)c3cc(Nc4n[nH]c(c4)C)nc(S(=O)(=O)C)n3)F	528
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C4(NC(=O)COC4)C5CC5)c(F)cc3	2017
+C1CC1C2(c3c(ccc(c3)NC(=O)c4ccc(cn4)Cl)F)NC(=S)COC2	187
+C1CC1C(c2cc(Br)ccc2F)(CO)N	886
+C1CC1C2(c3c(ccc(c3)NC(=O)c4ccc(cn4)Cl)F)NC(=N)COC2	2518
+C1CC1CN2CCN(CC2)c3c(cccc3)Br	61
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CCCN(C(=O)C(C#N)=CC5CC5)C4)Oc6cccc(F)c6	847
+C1CC1COc2cc(c(OC)cc2Br)F	8
+C1CC1COc2ccc(nc2)Br	458
+c1cc(ccc1CCN2C3(CCN(CC3)Cc4ccccc4)C(N(C2=O)CC5CC5)=O)OC	3284
+C1CC1COc2ccc3cccc(NC(=O)C)c3c2	72
+C1CC1CNC(c2nccc(c2)Cl)=O	81
+C1CC1CN(c2ncnc(C(=O)OC)c2)CCC	3671
+c1cc(ccc1NC(c2ncnc(N(CC3CC3)CCC)c2)=O)Cn4ccnc4	187
+C1CC1CN(CCC)c2ncnc(C(=O)O)c2	1
+CC1(C)CC(CC(C)(C)C1)(O)c2c(N3CCN(CC3)CC4CC4)cccc2	251
+c1cc(ccc1[N+]([O-])=O)Oc2ccnc(C(=O)NCC3CC3)c2	242
+C1CC1CN(CCC)c2nc(nc(C(=O)OC)c2)Cl	54
+c1cc(ccc1)S(=O)(=O)C(=Cc2cc(-c3ncn(C)c3-c4ccc(cc4OCC5CC5)F)ncc2)C#N	2593
+C1CC1COc2cc(ccc2-c3n(C)cnc3-c4nccc(CO)c4)F	49
+C1CC1COc2c(OC)ccc(-c3cccc4C(CCc34)=O)c2O	241
+CC1(C)OB(OC1(C)C)c2c(cc(c(OC)c2)F)OCC3CC3	585
+C1CC1COc2c(-c3c(-c4nccc(C=O)c4)ncn3C)ccc(c2)F	39
+C[Si](C)(C)C#Cc1ccc(cn1)OCC2CC2	961
+CC(C)(C)OC(=O)NC(C)COc1ccc(cc1)C#Cc2ncc(cc2)OCC3CC3	129
+C1CC1COc2ccc3cccc(N)c3c2	106
+C1CC1Nc2c(cc(cc2)Cl)[N+](=O)[O-]	205
+FC(F)(F)C1(O[Si](CC)(CC)CC)CC2CCCc3c(cc4c(n(nc4)-c5ccc(cc5)F)c3)C2(CC1)C(NC6CC6)=O	9
+C1CC1NC(c2ccccc2N)=O	1338
+O=S(=O)(NC1CC1)c2c(Cl)ccc(c2Cl)[N+](=O)[O-]	71
+C1CC1N2c3c(cc(cc3F)[N+]([O-])=O)CC2=O	1611
+C1CC1NC(=O)c2cccc3sc(cc23)-c4nc(ncc4Br)Cl	14
+C1CC1NC(=O)Nc2ccc(I)cc2F	2595
+C1CC1NC(=O)c2c(ccc(Br)c2)Cl	14
+C1CC1NC(Nc2ccc(cc2)Oc3ccnc(NC(CCC)=O)c3)=O	238
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4ccnc(n4)NC5CC5)C	435
+c1cc(ccc1)CC(C(C(NC2CC2)=O)O)NC(c3c(-n4cc5ccccc5n4)nccc3)=O	9
+C1CC1N(C)Cc2c(ccc(C#Cc3ccc(cc3)CC(=O)OC)c2)C(=O)OC(C)C	129
+C1CC1N(C)Cc2c(ccc(C#Cc3ccc(cc3)CC(=O)O)c2)C(=O)OC(C)C	4
+C1CC1N(Cc2cccc(c2Cl)Cl)C(CC(N)CO)=O	102
+CC(C)(C)OC(=O)N(C(CO)CC(=O)N(C1CC1)Cc2cccc(c2Cl)Cl)CCC(=O)OC	23
+C1CC1N(Cc2cccc(c2Cl)Cl)C(CC(CO)NCCC(=O)OC)=O	1340
+C1CC1N2c3c(c(c(F)cc3C(C(C(O)=O)=C2)=O)N4CCCC(NC(C)=O)C4)OC	57
+C1CC1N2CCC(CC2C)Nc3nc(-c4cc(ccc4Cl)OCC5OC5)nc(-c6c(C)noc6C)c3C	2598
+CN(C)CC(O)COc1cc(-c2nc(c(c(-c3c(C)noc3C)n2)C)NC4CCN(C5CC5)C(C4)C)c(Cl)cc1	170
+C1CC1N2CCN(c3ccccc23)C(c4cnccc4Oc5c(cc(OCC(=O)OCC)c(c5)Cl)Cl)=O	52
+C1CC1N2CCN(C(c3cnccc3Oc4c(cc(O)c(c4)Cl)Cl)=O)c5ccccc25	2599
+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4c(cnc(CN5CCN(CC5)C6CC6)c4)nc3)C)cccc1	2019
+CC(C)(C)OC(NCC(CNc1cc2c(c(F)c1)N(C(=O)C2)C3CC3)O)=O	843
+C1CC1N2c3c(cc(c(c3Cl)F)F)C(=O)C(C(=O)NCc4c(Cl)cc(cc4)Cl)=C2	3757
+C1CC2(CCN1c3c(F)cc4c(N(C5CC5)C=C(C(=O)NCc6c(Cl)cc(cc6)Cl)C4=O)c3Cl)CNC(C2)=O	34
+C1CC1N2c3c(CC2=O)cc(N)cc3F	0
+C1CC1N2CCN(C(c3cnccc3Oc4c(cc(c(Cl)c4)Br)Cl)=O)c5ccccc25	3758
+C1CC1Nc2[nH]c3c(c(Br)c(Cl)c(Cl)c3)n2	3759
+C1CC1NCc2c(ccc(c2)Br)Cl	162
+C1CC1NC(=O)c2cc(c(cc2)C)N3C=Cc4ccc(cc4C3=O)O	5
+C1CC1NC(=O)c2cc(c(cc2)C)N3C=Cc4ccc(cc4C3=O)OCCN5CCCOCC5	53
+CC(C)(C)OC(=O)N1CCC(CC1)(CCNc2ncc(Br)c(-c3cc4c(cccc4C(NC5CC5)=O)s3)n2)C	96
+C1CC1NC(=O)c2n[nH]c3CCN(Cc23)c4c5cc(c(cc5nnc4)CC)OC	3760
+CC(C)(c1n(C2CC2)c(nn1)C3CC3)c4sccc4	3762
+C1CC1NCc2c(cccc2)N	162
+CC(C)(C)OC(=O)N(C1CC1)Cc2cc(Br)ccc2Cl	23
+C1CC1N2Cc3c(cccc3)NC2=O	3764
+O=S(=O)(N(c1c(cc(Cl)cc1)[N+]([O-])=O)C2CC2)c3ccc(cc3)C	416
+C1CC1Nc2nc(cc(-c3cncc(-c4cc(ccc4)CN5CCN(CC5)C)c3)c2)-c6nc(C)ccc6	89
+C1CC1OC2CC(CO)N(C(c3cc(c4c(c3)nc(NCc5nccc(Cl)c5)o4)OC)=O)C2	30
+C1CC1OC2CC(CO)NC2	62
+O=S(=O)(Nc1c(cc(cc1Oc2c(c(ccc2)NS(=O)(=O)CC)C)F)Nc3ccc(I)cc3F)C4CC4	80
+O=S(=O)(N1CC(Nc2sc3cc(ccc3n2)Oc4cc(ncc4)-c5cnn(C)c5)CCC1)C6CC6	112
+C1CC1c2cc(n[nH]2)Nc3nc(NC(C)c4ncc(cn4)F)ncc3[N+](=O)[O-]	96
+C1CC1c2cc3c(nn(c3C(=O)NC)-c4ccc(cc4)Br)cc2[N+](=O)[O-]	81
+c1cc(ccc1-n2nc3cc(c(cc3c2C(=O)NC)C4CC4)N(S(=O)(=O)C)CCCO)O	2608
+C1CC1c2cc3c(cc2N(S(=O)(=O)C)CCCO)nn(-c4ccc(cc4)Nc5ccccc5F)c3C(=O)NC	230
+C1CN(CCN1C(=O)c2c(cc(cc2)Br)S(=O)(=O)C)c3ncc(cc3C4CC4)C5CC5	30
+C1CC1c2[nH]nc(Nc3c(cnc(Cl)n3)[N+]([O-])=O)c2	349
+C1CC1c2c(O)c(c(c(c2)[N+](=O)[O-])C)C=C	443
+c1cc(ccc1Nc2cc(nc(C3CC3)c2)-c4cc(Cl)ccc4)CC(OCC)=O	179
+C1CC1c2cc([nH]n2)-n3c4nc(ncc4nc3)NC(C)c5ncc(cn5)F	2610
+C1CC1c2c(cc3c(c2)c(C(=O)NC)n(n3)-c4ccc(cc4)Br)NS(=O)(=O)C	80
+C1CC1c2cc3c(C(=O)NC)n(-c4ccc(cc4)Br)nc3cc2N	0
+C1CC1c2cccc(n2)C(N3CCN(C(OCc4ccccc4)=O)C(C)(C)C3)=O	147
+c1cc(ccc1-c2c(C3=NOC(=O)N3)cccc2)CC=4C(=O)N(c5cc(ccc5)C6CC6)C(=NC=4CCCC)C	618
+C1CC(CCC1)Nc2cc(Nc3nc(ccc3)C4CC4)c(C(=O)N)nn2	232
+CC(C)(C)OC(=O)NCC(C)(C)COc1c2c(ccc(n2)-c3nnc4ccc(cn34)C5CC5)ccc1	3785
+O=S(=O)(Nc1c(F)c(cc(Cl)c1)-c2nc(C3CC3)oc2-c4ccnc(SC)n4)C	80
+C1CC1c2cccc(C(O)=O)n2	6
+C1CC1c2cccc(Nc3c(C(=O)N)nnc(Cl)c3)n2	314
+C1CC1c2cc(cc(-c3cc(Cl)ccc3)n2)Cl	140
+O1CCOC12CCC(CC2)(c3ccc(cc3)Br)C(=O)O	4
+C1CC2(CCC=C1)CCC(C=O)C2	1143
+C1=CCCC2(CC1)CC(CC2)CO	237
+FC(F)(F)C(Oc1cc(N2CCC3(CC2)CC(C(=O)OC)NCC3)nc(N)n1)c4c(-n5ccc(C)n5)cc(Cl)cc4	54
+C1CC2(CCN1c3nc(C)nc(c3)Oc4cc5c(NC(O5)=O)c(C)c4)CC(=O)Nc6c2cccn6	54
+c1cc(ccc1F)C2C3(CCN(CC3)CC=Cc4ccc(cc4)Cl)CN(C(=O)c5cc(Cl)ncc5)C2	2613
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2c(cc(OC)c(C(CCCCN3CCC4(CC3)NC(NC4=O)=O)=O)c2)OC	53
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4c(nn(-c5c(cccc5F)C(OC)=O)c4)C	678
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4cn(-c5c(F)cccc5-c6nccn6C)nc4C	678
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4c(nn(c4)-c5c(cccc5C#N)F)C	678
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4c(C)nn(-c5c(F)cccc5F)c4	678
+C1CC2(CCN1Cc3cn(nc3C(OCC)=O)-c4c(F)cccn4)OCC(F)(F)c5cc(sc25)Cl	678
+CC(C)(C)OC(NNC(=O)c1cc2c(OC3(CCN(CC3)C(=O)c4cc(OC)c5cccc(OC)c5n4)CC2=O)cc1)=O	2031
+C1CC2(CCN1Cc3cccc(CCO)c3F)CN(C(=O)c4nc(sc4)CC(C)C)CCO2	837
+C1CC2(CCN1Cc3c(nn(-c4ncccc4F)c3)CO)OCC(F)(F)c5cc(sc25)Cl	194
+C1OC2(CCOCC2)OCC1COc3c(C)c([n+]([O-])cc3)C	857
+C1CC2(OCC(CO2)COc3c(C)c(CO)ncc3)CCO1	174
+C1CC(CCC1N2C(=O)C(=C(CCC)n3ncnc23)Cc4ccc(cc4)-c5c(C6=NOC(=O)N6)cccc5)=O	97
+C1CC2CCC1N2C(C(C)(C)c3ccc4[nH]c(-c5cc(C)cc(C)c5)c(C(C)CNC(=O)OC(C)(C)C)c4c3)=O	10
+C1CC2CCC1N2C(C(C)(C)c3ccc4c(c3)c(c(-c5cc(C)cc(C)c5)[nH]4)C(C)CN)=O	12
+C1CC2COCC(=O)N2CC1c3n4c(c(N)ncc4)c(Br)n3	522
+FC(F)(F)c1ccc(c(c1)-c2cc(C(NC3CCCCC3O)=O)cnc2OC4CCCC4)Cl	56
+C1CCC(C1)(CO)c2cc(ccc2-c3c(cnc(c3)OC)F)C(=O)OC	237
+C1CCC(C1)(COC)c2cc(ccc2-c3c(cnc(c3)OC)F)C(=O)OC	76
+C1CCC(C1)(c2c(-c3cc(ncc3F)OC)ccc(CO)c2)COC	98
+C1CCC(C1)N2CCc3c(CC2)cc(cc3)Oc4ncc(C(NC)=O)cc4	85
+C1CCC(C1)Oc2cc(cnc2OC)C(=O)OC	2034
+C1CCCC1n2c3nc(Cl)nc(NCc4cc(OC)c(cc4)OC)c3nc2	2615
+C1CCC(C1)n2c3c(c(Nc4ccc5CCCc5c4)nc(Cl)n3)nc2	2615
+C1CCC(C1)C(c2ccc(c(c2)CC(C)C)O)C(OC)=O	2616
+C1CCCC1CC(C(=O)O)c2ccc(cc2)-c3cnccc3	4
+C1CCCC1CC(c2ccc(cc2)C#Cc3ncccc3)C(=O)O	4
+C1CCCCC1(C#Cc2ccc(cc2)C(C(OC)=O)CC3CCCC3)O	121
+c1cc(ccc1C(C(OC)=O)CC2CCCC2)C#CCN(C)C	121
+c1cc(ccc1C(CC2CCCC2)C(OC)=O)-c3ccc4c(c3)cc[nH]4	134
+C1CCC(C1)CC(C(OC)=O)c2ccc(cc2)-c3cnccc3	1617
+c1cnccc1-c2ccc(cc2)C(CC3CCCC3)C(OC)=O	2036
+C1CN(CCC1Oc2c3cnn(c3ncn2)-c4ccc(cc4)S(=O)(=O)C)C(=O)OCC5CCCC5	1468
+c1cc(ccc1Oc2ncc(C#CC(C)NC(C)=O)s2)OCC3CCCC3	20
+FC(F)(F)c1cn2nc(c(-c3ccnc(NC4CCCC4)n3)c2cc1)-c5ccc(cc5)F	2620
+CC(C)(C)OC(N1CCC(CC1C(OC2CCCC2)=O)=O)=O	27
+C1CCC(C1)OCC(=O)OCC	337
+C1CCC(C1)Oc2c(Br)cc(C(=O)OC)cn2	91
+C1CCCC1OCC(O)=O	3
+FC(F)(F)c1ccc(c(c1)-c2cc(C(=O)OC)cnc2OC3CCCC3)Cl	89
+C1CCCC1Oc2cc(cnc2OC)C(=O)O	1
+CC(C)(C)OC(=O)CCCOc1c(Cl)cc(cc1C)-c2noc(n2)-c3cc(nc(C4CCCC4)c3)OC	529
+CC(C)(C)[Si](C)(C)OCCN1CCN(CC1)c2cnc(cc2)Nc3nc4n(C5CCCC5)c6c(nccc6c4cn3)F	3812
+C1CC(CCCCC1)NO	3813
+C1C2(CC1)CC(Nc3cccc(F)c23)=O	1620
+C1C(CC1)N(CCCc2c3cc(F)ccc3[nH]c2)C4Cc5c(ccc(F)c5OC4)C(N)=O	85
+FC(F)(F)c1ccc(C(NC2CCC2)=O)c(O)n1	56
+C1CCN2CCCC1(CN)C2	15
+CCC#Cc1ccc2c(c1Cl)cnn2C3CCCCO3	3729
+CC(C)COc1ccc2c(c(nn2C3OCCCC3)C=O)c1	116
+c1cc(ccc1Oc2ccc3c(c(nn3C4OCCCC4)C=O)c2)[N+](=O)[O-]	46
+CC(C)(C)OC(=O)N1CCCC(Nc2nc(Cl)nc3n(C4OCCCC4)cnc23)C1	516
+c1cc(ccc1NC(c2c(Cl)cccc2Cl)=O)CC(NC(=O)C3(CCCC3)CCOC)C(OC)=O	188
+C1CCCC1(C(O)=O)CCOC	4
+C1CCC(C1)C(C(OC)=O)c2cc(CC(=C)C)c(O)cc2	1625
+C1CCCC1CC(C(OC)=O)O	27
+C1CCC(C1)CC(C(=O)Nc2sccn2)c3ccc(cc3)-c4ccc5c(c4)cc[nH]5	373
+c1cc(ccc1C(C(Nc2ccccn2)=O)CC3CCCC3)-c4cnccc4	142
+C1CCC(C1)CC(c2ccc(cc2)I)C(OC)=O	27
+C1CCCC1CC(C(=O)O)O	2631
+CN(C)CC#Cc1ccc(cc1)C(C(=O)Nc2sccn2)CC3CCCC3	373
+c1cc(ccc1C#Cc2ncccc2)C(C(=O)Nc3sccn3)CC4CCCC4	373
+FC(F)(F)c1cc(Br)cc(Cl)c1NC(=O)CCC2CCCC2	26
+C1CCCC1CC(C(=O)O)c2ccc(cc2)I	434
+C1CCCC1Nc2cc(ccc2C#N)Cl	60
+C1CCCC1NCc2cccc(OCC3OC3)c2	42
+c1cc(ccc1F)-c2n(-c3nc(ncc3)NC4CCCC4)c5ccc(nc5n2)Cl	306
+c1cc(ccc1C(=O)NN(c2c(Br)cnc(C#N)n2)C3CCCC3)CCl	1798
+CC1(C)C(N(c2c(N(C3CCCC3)C1)nc(Cl)nc2)C)=O	998
+C1CCCC1N2c3c(cnc(Nc4c(cc(C(=O)NC5CN6CCC5CC6)cc4)OC)n3)N(C)C(C(C)(C)C2)=O	14
+CC(C)(C)OC(N(Cc1cc(ccc1)OCC2OC2)C3CCCC3)=O	23
+C1CCC(C1)Nc2c(C(=O)Nc3cc4c(CCC(=O)N4C)cc3)ccc(c2)Cl	67
+C1CCCC1Nc2cc(Cl)ccc2C(=O)O	3831
+C1CCCC1OCC(Nc2nn3c(nc(cc3C)C)c2-c4cc(C)c(cc4)Cl)=O	195
+C1CCCC1OCC(Cl)=O	130
+O=S(=O)(Cl)c1ccc(OCC)c(-c2nc3c(noc3c(O)n2)C4CCCC4)c1	240
+C1CCCC2(CC1)CCC(COc3ccc(cc3)CCC(=O)OC)C2	20
+C1CCCC2(CC1)CCC(COc3ccc(cc3)CCC(=O)O)C2	4
+C1CCCCC1(C#Cc2ccc(cc2)C(CC3CCCC3)C(=O)O)O	4
+C1CCCCC1(C#Cc2ccc(cc2)C(C(=O)Nc3sccn3)CC4CCCC4)O	373
+C1CCCCC1(c2c(OC(OC)=O)cc(c(F)c2)[N+](=O)[O-])C	77
+C1CC(CCC1)(N)CO	21
+C1CCCCC12C(O)=C(C(N2)=O)c3c(ccc(c3)Br)C	997
+C1CCCCC1(NS(=O)(=O)c2ccc(cc2)C)C(=O)c3cc(Cl)cc(c3)Cl	155
+C1CCCCC1(c2c(OC(OC)=O)cc(c(F)c2)N)C	0
+C1CCCCC12NC(=O)C(c3cc(-c4cc(c(Cl)cc4)F)ccc3C)=C2O	11
+CC(C)(C)C1CCC2(CC1)CC(CNC3CCCCC3)(O)CO2	87
+C1CCCCN1C(C2CCCCC2)=O	58
+C1CC(CCC1)C(C)NC(c2c3ccc(Cl)cc3nc(-c4ccccc4)c2C)=O	14
+CC(C)(C)OC(NC(Cc1[nH]cnc1)C(=O)NC(C(CCC(C)C)O)CC2CCCCC2)=O	9
+C1CC(CCC1)CCc2c(nc(NC(=O)c3cc4cc(ccc4n3CC(=O)OC)OC)s2)-c5cc(OC)c(cc5OC)C	2434
+c1cc(ccc1)CC2COC(=O)N2C(=O)CCCCC3CCCCC3	1840
+C1CCCCC1CCCCc2nc3ccccc3[nH]2	442
+C1CCCCC1CCCCc2nc3ccccc3n2CCO	44
+C1CCCCC1CCCCc2n(c3c(cccc3)n2)CC(=O)OCC	1457
+O=S(=O)(C)OCCn1c(CCCCC2CCCCC2)nc3ccccc13	7
+c1ccccc1CNc2nc(nc(OCC3CCCCC3)c2)N	145
+CC(C)(C)OC(C(C)(C)Oc1cccc(CC(NC2CCCCC2)=O)c1)=O	9
+C1CC(CCC1)Nc2c(cc(cc2)Cl)[N+](=O)[O-]	205
+C1CC(CCC1)NS(=O)(=O)c2ccc(C)c3ccccc23	71
+O=S(=O)(NC1CCCCC1)c2cc(C(=O)C)ccc2	71
+C1CC(CCC1)NS(=O)(=O)c2cc(C(O)=O)c3c(c2)OCCO3	71
+C1CC(CCC1)NC(=S)Nc2ccc(cc2)Cl	1167
+O=S(=O)(NC1CCCCC1)c2cccc(C(CBr)O)c2	74
+C1CCCCC1Oc2ccc(Br)cn2	91
+C1CCCCC1Oc2ncc(cc2)-c3c(N)ncc(F)c3	1168
+C1CCCCC1Oc2ccc(B(O)O)cn2	2639
+C1CCCCC1S(=O)(=O)NCCc2cc(cc(CCC(OCC)=O)c2)Cc3cccnc3	111
+C1CN(CCO1)C(Cn2c(Br)c(c3c2cc(cc3)C(OC)=O)C4CCCCC4)=O	10
+C1CC(CCC1)c2c3ccc(C(OC)=O)cc3[nH]c2-c4ccccc4CCOC5CCCCO5	2549
+C1CCCCC1c2cc(OC)c(CCO)cc2Cl	95
+C1CCC(CCCC1)=NO	350
+C1CCCCN1CC2CCCCC2	15
+c1cc(ccc1OCCCN2CCCC2C)N3C(CCC3=O)CN4CCCCC4	883
+C1CN(CCC1)CCC(=O)N2c3cc[nH]c3CCCC2	2052
+C1CN(CCC1)CCCOc2ccc(cc2)I	72
+C1CN(CCC1)c2ccc(c(C(Nc3ncc(-c4ccc(c(C)c4)C)nc3)=O)c2)N	0
+C1CN(CCC1)c2cc(NC)ccc2[N+](=O)[O-]	60
+C1CCCCN1c2cc(nc(N3CCCC3C)n2)N4CCN(c5c(C)cc(cn5)CO)CC4C	351
+C1CCCCN1c2c(c(ncn2)CO)C	88
+C1CC(CCN1C(CN2CCCC2)=O)COc3cc4c(c(ncn4)Oc5cc6c(c[nH]c6cc5)C)cc3OC	224
+C1CCCN1CC(=O)N2c3c(SCC2)ccc([N+]([O-])=O)c3	224
+C1COC2(O1)CC(C(N3CCCC3)=O)NCC2	2642
+C1CCCN1c2ccc(Cl)cc2C=O	34
+FC(F)(F)c1c(ccc(NC(=O)c2ccc(C)c(Br)c2)c1)CN3CCCC3	48
+C1CCN(C1)CC(N2c3c(Sc4c2cc(cc4)C#N)cc(Cl)cc3)C	123
+C1CCCN1CC(COc2cc3nccc(Oc4cc(c(cc4)NC(=O)Nc5sccn5)F)c3cc2C#N)O	170
+C1CCCN1CC(Nc2ccc(cc2)Br)=O	224
+c1cc(ccc1Cl)Cn2c3ccccc3nc2CN4CCCC4	894
+C1CCN(C1)c2c(c(nc(Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)n2)Cl)CC(OC)=O	54
+C1CCCN1CCN2CCSc3c2cc([N+](=O)[O-])cc3	15
+c1cc(ccc1Br)NCCN2CCCC2	15
+C1CCN(C1)CCCOc2ccc(Br)cn2	430
+C1CCCN1CCN2C(c3c(C)c([nH]c3CC2)C=C4c5cc(OC)ccc5NC4=O)=O	292
+C1CCCN1CCN2C(c3c(C)c(C=O)[nH]c3CC2)=O	413
+C1CCN(C1)CCN2C(=O)N(C)c3c2ccc(Br)c3	620
+C1CCCN1CCN2CCc3c(C2=O)c(C)c[nH]3	1858
+C1CCCN1CCNc2ccc(cc2N)Br	0
+C1CCCN1CCN2c3ccc(cc3NC2=O)Br	1019
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2cc(ccc2N3CCCC3)Cl	48
+n1c(OC)cc(nc1Oc2c(C(=O)OC)nc(cc2)N3CCCC3)OC	3863
+C1CCCN1c2ccc(O)c(C(=O)OC)n2	321
+C1CCN(C1)CC(N2c3cc(ccc3Sc4cc(Cl)ccc24)C(N)=S)C	1855
+C1CCN(C1)CCC(Nc2nc3c(cc(cc3)Sc4n5cccnc5nc4)s2)=O	373
+c1cc(ccc1OCCCN2CCCC2)-c3c4ccccc4nc5CCCCc35	72
+CC1(C)OB(OC1(C)C)c2cnc(cc2)OCCCN3CCCC3	3869
+C1CCN(C1)CCOc2ccc(Br)cc2C=O	72
+C1CCCN1CCNc2nccc(Oc3ccc4c(C(NCCN5CCOCC5)=O)cccc4c3)n2	96
+C1CCCN1CCNCCc2c(C(OCC)=O)c(C)c[nH]2	15
+C1CCN(C1)CCOc2c(CN)cc(cc2)Br	18
+C1CCN(C1)CCOc2ccc(Br)cc2CCl	109
+C1CCN(C1)CCOc2c(CO)cc(Br)cc2	41
+C1CCN(C1)CCOc2c(CN=[N+]=[N-])cc(cc2)Br	1298
+C1CCN(C1)c2nc(nc(Cl)c2CC(=O)O)Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O	4
+C1CCN(C1)c2cc(c(C(=O)N3CC(=O)N(Cc4c3cccc4)CCO)cc2)Cl	21
+C1CCN(C1)c2cc(c(C(=O)N3c4ccccc4CN(CCN5C(=O)c6c(C5=O)cccc6)C(C3)=O)cc2)Cl	332
+C1CCN(C1)c2cc(c(cc2)C(N3CC(N(CCN)Cc4c3cccc4)=O)=O)Cl	45
+C1CCN(C1)c2cc(c(cc2)C(=O)N3CC(=O)N(CCNC(=O)c4ccccc4)Cc5c3cccc5)Cl	93
+C1CCN1CC2CC(C2)n3cc(c4c3ncnc4N)I	236
+c1ccccc1C(c2ccccc2)N3CC(C3)C(=O)N4CCC4	10
+c1ccccc1COc2ccc(CC(N3CCC3)=O)c(c2)C#N	10
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCOc4ccc(CC(N5CCC5)=O)c(C#N)c4)C3	126
+C1C(CC1n2c3c(c(c2)-c4ccc5ccc(nc5c4)-c6ccccc6)c(ncn3)N)CN7CCC7	3874
+C1CCC2(CCCN1C2)C(=O)N	327
+C1CCN2CCCC1(CNC(=O)c3c4c([nH]c3)cccc4)C2	56
+FC(F)(F)c1ccc(cc1)NS(=O)(=O)c2cccc(C(=O)N3CCN4CCCCC4C3)c2	30
+CC(C)(C)OC(=O)N1C(=O)CCC1	3877
+CC(C)(C(C(=O)N1CCCC1C(OC)=O)NC(OCC)=O)SC(C)C	478
+CC(C)(C)OC(N1C2CC(CC1CC2)C=O)=O	1137
+CC(C)(C)OC(=O)N(Cc1ccc(cc1)-c2ccccc2)C3CC(CC3)C(=O)CCC=C	3681
+OC12C(C(CC=O)CC1)(C)CCC3C2CCC4C3(CCC(O)C4)C	1137
+c1cc(ccc1)CN2CC(NC)C(c3cc(c(Cl)cc3)Cl)C2	3883
+CC(C)(C)OC(N1C(C)CN(CC1)c2nccnc2Cl)=O	23
+Nc1c(c(N2CCC3C(C2)OCC(=O)N3)cc(C#N)c1)Cl	467
+CC(C)(C)[Si](C)(C)OC1CN(CC1)c2ccc(cc2F)[N+]([O-])=O	19
+CC(C)(C)[Si](C)(C)OC1CN(c2ccc3c(c(Cl)ccc3n2)N)CC1	19
+c1cc(ccc1)CN2CCC(CC2)(Nc3ccccc3)C(=O)OC	325
+C1CN(CCC1(F)C(O)=O)C2CCCN(CC2)C(OCC)=O	3
+CC(C)(C)OC(NC1(CCN(CC1)C(OCC)=O)CC#N)=O	37
+CC(C)(C)OC(NCCC1(CCN(CC1)Cc2ccccc2)O)=O	37
+C1CN(CCC1(CN2CCNCC2)c3ccccc3)C	25
+c1ccccc1C(c2ccccc2)NC(=O)N3CCN(CC3)CC4(CCN(CC4)C)c5ccccc5	384
+CC(C)(C)NC(=O)C1(CCN(CC1)C2CCCN(CC2)C(OCC)=O)F	9
+C1CN(CCC1(C(=O)OC)N(O)C(=O)Cc2c(C)ccc(C)c2)OC	2061
+c1cc(ccc1CC2(CCNCC2)O)C	215
+C1CC(CCN1c2ccc(cc2)C(O)=O)(OC)Cc3c(F)cccc3	6
+C1CN(CCC1(CN2CCN(CC2)Cc3ccccc3)c4ccccc4)C	15
+C1CN(CCC1)C(=O)c2ncc(N)cc2	13
+C1CN(CCC1)C(c2ncc(cc2)I)=O	3884
+c1cc(ccc1OCc2ccccc2)S(=O)(=O)NCC(N3CCCCC3)C(=O)OC	71
+C1COCCN1c2cnc(C(=O)N3CCCCC3)cc2	2064
+C1CN(CCC1)CCC(N2c3c([nH]c(C=O)c3)CCCC2)=O	413
+c1c(F)c(c(cc1)F)-c2c3C(=Cc4[nH]c5c(N(CCCC5)C(=O)CCN6CCCCC6)c4)C(=O)Nc3ccc2	292
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(=O)CCCSCCOC(C)=O	152
+Cc1cccc(C)c1CCCn2c3c(nc2CN4CCCCC4)cccc3	656
+C1CN(CCC1)c2cc(N(C)C(C)=O)ccc2N	0
+C1CN(CCC1)c2cc(N(C)C(C)=O)ccc2[N+](=O)[O-]	808
+O=S(=O)(C)N(c1cc(c([N+](=O)[O-])cc1)N2CCCCC2)C	1632
+C1CN(CCC1)c2cc(ccc2NC(=O)c3oc(C#N)cc3)N(C)S(=O)(=O)C	1129
+C1CN(CCC12c3c(NC2)cccc3Br)Cc4ccccc4	15
+c1cc(ccc1F)C2C3(CCN(CC3)Cc4ccccc4)CNC2	15
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4c(C)nn(c4)-c5c(C=O)cccc5F	39
+C1CN(CCC12OCC(F)(F)c3cc(sc23)Cl)Cc4c(nn(-c5c(F)cccc5CO)c4)C	98
+c1ccccc1COC(c2ccc3c(C(=O)CC4(CCN(CC4)C(=O)c5cc(OC)c6cccc(OC)c6n5)O3)c2)=O	2656
+CC(C)(C)OC(=O)N1CC2(CCN(CC2)Cc3ccccc3)c4c1cccc4Br	603
+c1cc(ccc1OC)N2CCC(CC2)N	733
+C1CN(CCC1(O)Cc2ccc(cc2)C)C(=O)OCC	3892
+C1CC(CCN1S(=O)(=O)c2cccc(Cl)c2)(C#N)N	661
+C1CC(CCN1C)CCNc2nc3N(C(C(=Cc3cn2)c4c(S(=O)(=O)C)cccc4)=O)CC	306
+n1cc(cnc1N2CCC(CC2)COS(=O)(=O)C)CC	7
+C1CC(CCN1c2nc(no2)C(C)C)COc3ccc(nc3)-c4c(F)cc(cc4)SC	1920
+C1CN(CCC1COc2cc(ccc2)C(OC)=O)c3ncc(cn3)N	193
+C1CC(CCN1c2ncc(cc2)C#N)Nc3c(Cl)cnc(Cl)n3	40
+C1CC(CCN1C(OC(C)C)=O)N2CCC(CC2)N3C4CCCCC4OCC3=O	66
+C1CN(CCC1Nc2ccc(cc2F)N3CC(OC3=O)CN)C(=O)OCc4ccccc4	18
+C1CC(CCN1)Nc2ccc(N3CC(CNC(=O)C)OC3=O)cc2F	62
+C1CN(CCC1Nc2ccc(N3CC(CNC(=O)C)OC3=O)cc2F)C(=O)OCc4ccccc4	206
+C1CN(CCC1O)c2scc(n2)CN3CCN(c4c(c(C)cc5cccnc45)OCCCC(O)=O)CCC3	4
+c1cc(ccc1N2CCC(CC2)OCCCCCOC)-c3sc(nn3)N	3904
+C1CN(CCC1Oc2ccc3c(c2)n(-c4cc(c(C(N)=O)s4)OC(c5c(Cl)cccc5)C)cn3)C	1355
+C1CN(CCN1C)C(Nc2cc(c(cc2)NCC)[N+](=O)[O-])=O	2016
+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4c(cnc(c4)CN5CCN(CC5)C)nc3)C)cccc1	2019
+C1CN(CCN1c2cc(c([N+]([O-])=O)c(CS(=O)(=O)c3c4ccccc4ccc3)c2)OCCCl)C	34
+O=S(=O)(c1cc([N+]([O-])=O)c(Cl)cc1)N2CCN(CC2)C	92
+C1CN(CCN1C)Cc2cccc(B(O)O)c2	48
+c1cc(ccc1C=2CCCCC=2C)C(N3c4c(cccc4)Cn5c(C(=O)N6CCN(CC6)C)ccc5C3)=O	147
+C1CN(CCN1C)C(c2cccc(c2)Br)c3ccc(cc3)Cl	2073
+C1CN(CCN1C)c2ncc(cc2)C(OC)=O	43
+c1ncncc1-c2c(-c3ccc(cc3)NCCN4CCN(CC4)C)[nH]c5ncc(Cl)cc25	53
+c1cc(ccc1C#N)CNC(N2CCN(CC2)C(=O)CNC(=O)OCc3ccccc3)=O	10
+C1CN(CCN1C(OCC)=O)CCCCCCCCCCCCCCC	123
+C1CN(CCN1C(=O)NC)CCC#C	2041
+C1CN(CCN1c2nc(ccc2)-c3nc4c(c(O)n3)c(OC)cc(OC)c4)CCC(=O)OC	361
+CC(C)(C)[Si](C)(C)OCCN1CCNCC1	19
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCO	1109
+C1CN(CCN1c2cc(N)ncn2)CCOC	54
+C1CN(CCN1c2c(cc(-c3ccnc(c3)Cl)[nH]2)C(=O)N)C(OCc4ccccc4)=O	66
+CC(C)(C)n1c(cc(CCCN2CCN(CC2)c3ccc(c(c3)C)C)n1)-c4ccc(cc4)Cl	61
+CC1(C)Cc2c(C)c(N3CCN(CC3)c4c(OC)cc(OC)cc4)c(c(C)c2O1)C	79
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2nc(ccc2)C)CCCCNC(C=C)=O)=O	10
+C1CN(CCN1CCCNC(=O)OCc2ccccc2)c3cccc(Cl)c3	28
+C1CN(CCN1c2c(cccc2)F)C(c3c4ccc(Cl)cc4[nH]c3)=O	211
+C1CN(CCN1c2ncc(cc2C3CC3)C4CC4)C(c5ccc(cc5S(=O)(=O)C)N6C(=O)OCC6)=O	2663
+C1CN(CCN1C(c2c3c(cc(cc3)Cl)n(c2)CCNS(=O)(=O)C)=O)c4c(cccc4)F	111
+C1CN(CCN1Cc2c(c(ncc2)N)C)C(C)=O	2664
+C1CN(CCN1C2CCC2)C(=O)CN3CCc4nc(O)ccc4C3	224
+C1CN(CCN1)CCCCCCCCCCCCCCC	215
+C1CN(CCN1C)c2cccc3OCC(Cc23)NC(=O)c4ccc(cc4)N5CCN(CC5)C(=O)C	58
+C1CN(CCN1c2ncc([N+]([O-])=O)c(Cl)c2)C	120
+c1cc(ccc1-c2ccc(nc2)N3CCc4ccc(cc4C3)-c5nc(N)nc(N6CCN(CC6)C)c5)C#N	361
+O=S(=O)(Nc1cc(N2CCN(CC2)C)ccc1Br)c3ccc4ccccc4c3	69
+C1CN(CCN1C)c2ncc(cc2)C(=O)NCc3ccccc3	56
+C1CN(CCN1C)c2cccc3OCC(Cc23)NC(=O)c4ccc(cc4)N5CCN(CC5)Cc6ccccc6	14
+C1CN(CCN1C)c2c3CC(COc3ccc2)NC(=O)c4ccc(cc4)N5CCNCC5	25
+C1CN(CCN1C)c2ccc(cn2)C(O)=O	1
+O=S(=O)(C)c1cccc(-c2sc3CN(CC(N4CCN(CC4)C5CCC5)=O)CCc3n2)c1	1241
+c1cc(ccc1N2CCN(CC2)C3COC3)Nc4nc(Cl)ncn4	360
+C1CN(CCN1c2ccccc2OC)CCCN	51
+C1CN(CCN1CCCO)CCNCCCCCCC	15
+C1CN(CCN1CCCO)CCN(CCCCCCC)C(=O)Nc2c(cc(nc2SC)C)SC	437
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CCN(CC3)S(=O)(=O)C	17
+C1CN(CCN1c2c(cccc2)F)C(=O)c3cn(CC(N)=O)c4c3ccc(Cl)c4	1360
+FC(F)(F)c1ccc(cc1)COc2cnc(nc2)N3CCN(CC3)c4c5c(ncn4)cc(OC)c(c5)OC	3916
+C1CN(CCN1c2c3cc[nH]c3ccn2)CCc4c[nH]c5ccc(CO)cc45	41
+C1CN(CCN1c2c3cc[nH]c3ccn2)CCc4c5c(ccc(C=O)c5)[nH]c4	146
+C1CN(CCN1CCOC)c2ncnc(c2)Nc3ncc(C#N)s3	1178
+C1CN(CCN1c2ccc(c(F)c2)C#N)C(=O)CCN3CCCC(C3)Cc4cc5c(cc4)OCO5	1531
+C1CN(CCN1C)c2cc(c([N+](=O)[O-])cn2)O	5
+C1CN(CCN1c2cc(CS(=O)(=O)c3c4ccccc4ccc3)c(N)c(OCCCl)c2)C	0
+c1ccccc1Nc2c(N)ccc(N3CCN(CC3)C(C)=O)c2	0
+C1CN(CCN1c2cc(c(cc2Br)Nc3nc(Nc4cc(ccc4S(=O)(=O)C(C)C)C=C)c(cn3)Cl)OC)C	55
+C1CN(CCN1c2cc(c3cc2C=Cc4ccc(c(Nc5c(Cl)cnc(N3)n5)c4)S(=O)(=O)C(C)C)OC)C	722
+c1cc(ccc1CN2CCN(CC2)c3cc(ccc3)OC)N	0
+C1CN(CCN1C)c2ccc(Br)c(c2)N	0
+C1CN(CCN1c2cc(ccc2)NC)CC	621
+C1CN(CCN1CCCNc2ncccc2)c3ccccc3OC	70
+C1CN(CCN1c2nc(ccc2)-c3nc4c(c(O)n3)c(OC)cc(OC)c4)CCC(=O)O	4
+C1CN(CCO1)C(C2CN(c3c4c(cccc4)nc(Cl)n3)CCC2)=O	54
+C1CN(CCO1)C(C2CN(c3c4ccccc4nc(NCc5ccccc5Sc6ccccc6CO)n3)CCC2)=O	798
+C1CN(CCO1)C(COc2cc(ccc2)N)=O	0
+CC(C)(C)OC(NCCNC(=O)N1CCOCC1)=O	2675
+C1CN(CCO1)C(NC2CCCC(Nc3nc(ncc3F)-c4cn(c5ncc(cc45)F)S(=O)(=O)c6ccc(cc6)C)C2)=O	2675
+C1CN(CCO1)C(Cn2c(Br)c(c3ccc(C(=O)O)cc23)C4CCCCC4)=O	1
+C1CN(CCO1)C(Cn2c(-c3ccc(cc3)C(=O)C)c(c4c2cc(cc4)C(O)=O)C5CCCCC5)=O	2549
+C1CN(CCO1)C(NC2CCCC(Nc3c(cnc(n3)-c4c[nH]c5ncc(cc45)F)F)C2)=O	392
+C1COCCN1C2CCN(CC2F)c3cccc(-c4n(C)c5ccccc5n4)c3	79
+C1CN(CCO1)CCn2c3cc(Cl)ccc3cc2C	1277
+O=S1(=O)CCCN1c2ccc(cc2)-c3c(c4c(cc(OCCN5CCOCC5)cc4)n3CC)C#N	72
+C1COCCN1CCn2c(C)cc3cccnc23	3924
+CC(C)(C)ON=C1c2c(OC(=C1)c3ncn4c(c3)ccc4)ccc(c2)C(=O)NCCN5CCOCC5	14
+C1COCCN1CCNC(=O)c2cc(c([nH]2)C=O)C	81
+C1CN(CCO1)CCNC(c2cccc3cc(ccc23)O)=O	14
+C1CN(CCO1)CCNC(=O)Nc2nc3c(cc(cc3)SC#N)s2	238
+c1cc(ccc1OCCNCCN2CCOCC2)Cc3ccc(cc3)-c4occn4	1918
+C1CN(CCO1)CCNC(=O)Nc2nc3ccc(S)cc3s2	1180
+C1CN(CCO1)CCNC(c2cccc3c2ccc(Oc4nc(ncc4)Cl)c3)=O	185
+c1c(C)c(c(cc1-c2nc(O)c3c(OC)cc(OC)cc3n2)C)OCCN4CCOCC4	748
+C1COCCN1CCn2c(C)c(c3ccc(cc23)Cl)C(=O)c4c5c(cccc5)c(cc4)C	787
+C1CN(CCO1)Cc2cc(c([N+](=O)[O-])cc2)N	2609
+C1CN(CCO1)Cc2cc(c(cc2)N)N	0
+c1cc(ccc1C=NNc2ccc(cc2)-c3cnco3)CN4CCOCC4	878
+C1COCCN1c2c(COc3cccc(O)c3C=O)cccn2	241
+C1COCCN1c2cnc(N3CCOCC3)c([N+]([O-])=O)c2	3631
+C1COCCN1c2nc(-c3ccccn3)nc(c2)CNC(C)C	1279
+C1CN(CCO1)c2nc(c(c(c2)C(=O)OC)N)N	13
+C1CN(CCO1)c2cc(ccc2)Oc3cc(c(Nc4cc(OC)c(cc4F)F)nc3)F	201
+C1CN(CCO1)c2cc(c(nc2)N3CCOCC3)Nc4c(C)c(-c5ccccc5S(=O)(=O)C)nc6c4c(F)cc(F)c6	1332
+C1CN(CCO1)c2ncc(cc2Nc3cc(nc4cc(cc(c34)F)F)-c5ccccn5)N6CCOCC6	1332
+C1CN(CCO1)c2ncc(cc2Nc3c(CC)c(-c4ccccn4)nc5cc(cc(F)c35)F)N6CCOCC6	1332
+C1COCCN1c2cc(c(c(SCC)n2)C(=O)NCc3cc(F)cc(c3)F)C	56
+C1CN(CCO1)c2cc(c([N+](=O)[O-])c(N)n2)C(=O)OC	128
+C1CN(CCO1)c2nc3c([nH]c(n3)C)c(c2)C(=O)OC	2684
+c1cc(ccc1NS(=O)(=O)C)-c2nc(N3CCOCC3)c4ccc5c(c4n2)ccn5C	80
+C1COCCN1c2nc3n(Cc4cccc5ccccc45)c(nc3c(C(OC)=O)c2)C	1484
+C1COCCN1c2nc3c(c(C(O)=O)c2)nc(n3Cc4c(c(Cl)ccc4)Cl)C	1
+C1CN(CCO1)c2c(COc3c(c(ccc3)OCOC)C=O)cccn2	751
+CC(C)c1cc(ccc1)NC(c2cc(ccc2)N3Cc4c(CC3)c(cnc4)C(OC)=O)=O	67
+N1(C(=O)NCC1)c2ncccc2	3819
+C1n2c(cc3cc(OC)ccc23)CNC1	729
+CC(C)(C)OC(=O)NCc1cnc(cc1)CN2CCCCC2	1309
+C1CCCCN1c2cc(C(Nc3ncc(nc3)-c4ccc(c(C)c4)C)=O)c(cc2)[N+](=O)[O-]	202
+C1CCCCN1CC(N(c2c(ccc(c2)OC)C3CCc4c(C3)ccc(OC)c4)CC)=O	224
+c1cc(ccc1CCN2CCCCC2)-c3cc4c(CN(CC4)C(=O)COC(C)=O)cc3	236
+C1CN(CCC1)Cc2nc3c(cccc3)[nH]2	894
+C1CN(CCC1)C(=O)c2ccc([N+]([O-])=O)cn2	3753
+C1CCCCN1c2cc(nc(N3CCCC3C)n2)N4C(CN(c5c(cc(cn5)C(=O)OCC)C)CC4)C	54
+C1CCCCN1c2cc(ccc2[N+](=O)[O-])F	34
+C1CN(CCC1)CCCOc2ccc(cc2)I	53
+C1CCCCN1c2ncnc(COC)c2C	54
+c1cc(ccc1F)C2c3nc(nc(N4CCC(CC4)(O)C)c3CC2)Cl	54
+C1CC(CCN1C(C)=O)(Cn2c3c(nc2COCC)cnc4ccccc34)O	58
+C1CC(CCN1C(=O)Nc2ccccc2)(O)Cn3c4c(nc3COCC)cnc5ccccc45	326
+FC(F)(F)c1nnc2ccc(nn12)N3CCC(CC3)(c4ccc(cc4)O)O	212
+CC(C)(C)OC(=O)Cc1cc(N2CCC3(CC2)C(=O)N(C(=O)N3CCc4ccc(cc4)OC)CC5CC5)ccc1	79
+C1CN(CCC1C#N)CC(N(C(c2cc(c(cc2)F)C)=O)C)C(C)C	61
+CC(C)(C)OC(n1c(-c2cc(N3CCC(CC3)C(OCC)=O)ccc2Cl)nc4c1cccc4)=O	79
+C1CC(CCN1c2ccc(Cl)c(-c3ccc(cn3)C)c2)C(=O)OCC	79
+C1CN(CCC1CCNC(=O)C=C)C(=O)CNc2c(O)cc(Cl)c(Cl)c2	10
+CC(C)C(N1CCC(CC1)CO)=O	10
+C1CC(CCN1C#N)CO	739
+O=S(=O)(c1ccc(c(c1)C(=O)O)Cl)N2CCC(CC2)CO	92
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3CCNCC3	328
+C1CN(CCC1CO)c2ncc(cn2)CC	117
+C1CC(CCN1c2cc(ccn2)C(=O)N3CCc4cc(c(F)cc34)F)N5C(=O)Nc6ncccc56	43
+C1CN(CCC1N2CCN(CC2)C)c3c(cc4c(Nc5ccc(c(Cl)c5)Sc6n(C)ccn6)c(cnc4c3)C#N)OC	2074
+c1ccn(c1)-c2c(CN3CCC(CC3)Nc4nc(NCCCN(C)C)nc5ccccc45)cccc2	48
+CC(C)C(N(C(c1cc(c(cc1)F)C)=O)C)CN2CCC(CC2)O	61
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N(C2CC2)C3CCN(CC3)C(CCN4CCC(CC4)O)=O	1531
+C1CN(CCC1OCCCCCOC)c2ccc(cc2)C#N	34
+C1CN(CCC1)CCOC2CCN(CC2)C(c3c(ccc(c3)Cc4c5c(c(O)nn4)cccc5)F)=O	30
+C1CN(CCC1Oc2cc3n(-c4cc(OC(C)c5ccccc5Cl)c(C(OC)=O)s4)cnc3cc2)C	2690
+C1CNCCC1Oc2cc3c(cc2)ncn3-c4cc(c(C(N)=O)s4)OC(c5c(Cl)cccc5)C	1355
+c1ccccc1-c2nc(nc3-c4c(cccc4C(c23)=O)N5CCC(CC5)Oc6ccc(cc6)OC)N	908
+c1cc(ccc1)COc2cc(ccc2C3CCN(CC3)C(=O)Nc4ccccn4)OCc5ccccc5	468
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(n3)C#Cc4c5c(ccc4)cccc5)n1)C	10
+C1CC(CCN1C(Cn2nc(cc2Cl)Cl)=O)c3nc(C(N(C4CCCc5ccccc45)C)=O)cs3	10
+c1(cccc(Cl)c1Cl)N2CCCNCC2	79
+C1CN(CCN1)CCC#C	3939
+C1CNCCN1c2nc(C)cc(C)c2	43
+C1CNCCN1c2ccc(c(F)c2)C#N	34
+c1cc(ccc1S(=O)(=O)Nc2ncncc2)N3CCNCC3	79
+C1CN(CCN1C(C)=O)Cc2ccnc(c2C)Cl	171
+C1CN(CCN1c2cc(c([N+]([O-])=O)cc2)Nc3ccccc3)C(C)=O	202
+C1CN(CCN1c2cccc(N(C(C)=O)C)c2)CC	79
+C1CN(CCN1)c2[nH]c(cc2C(=O)N)-c3ccnc(c3)Cl	1869
+C1CN(CCN1CCC#N)c2ccccc2OC	987
+C1CN(CCN1c2cc(ccc2)OC)Cc3ccc(cc3)[N+]([O-])=O	171
+C1CN(CCN1c2cc(C)cc(n2)C)c3ccc(c(C)c3)[N+](=O)[O-]	202
+C1CNCCNCCNCCN1Cc2ccc(cc2)[N+](=O)[O-]	131
+C1CNCCNCCN(CCN1)Cc2ccc(cc2)N	0
+C1CS(=O)(=O)CCN1C(c2n(c3c(cc(cc3)O)c2)C(C)C)=O	147
+C1CN(CCS1(=O)=O)C(=O)c2ccc(OCc3c(noc3C)-c4ccc(cc4)F)nc2	211
+FC(F)(F)Oc1ccc(cc1)OC2CCN(CC2)CCO	170
+c1cc(ccc1C(OC)=O)COCCO	850
+C1COC(O1)(COc2cc3c(cccc3)cc2)C=CC4C(O)CC5OC(CC45)=O	682
+O1CCOC1(C=CC2C(OC3CCCCO3)CC4OC(O)CC24)COc5cc6c(cccc6)cc5	2697
+C1COC(O1)(C=CC2C3C(OC(=O)C3)CC2OC4OCCCC4)COc5cc6c(cccc6)cc5	1646
+O1CCOC1c2cc(C(C)(C)CO)ccc2	95
+C1CC(CCC12C(=C(c3c(ccc(c3)Br)C)C(=O)N2)O)=O	97
+C1COC2(O1)CCCCC2COCc3ccccc3	149
+C1COC2(O1)CC(NCC2)CN3CCCC3	15
+c1cc(ccc1F)C2CC3(OCCO3)Cc4sc(Nc5cc(c(-n6cc(nc6)Cl)cc5)OC)nc24	2522
+c1cc(ccc1C2(CCC(CC2)=O)CO)Br	97
+C1CC(CCC12OCCO2)C3CCC(CC3)c4c(cc(cc4)C5CCC(CC5)CCCCC)F	191
+C1CC2(OCCO2)CCC1N3c4n(C(CCC)=C(Cc5ccc(cc5)-c6c(C7=NOC(=O)N7)cccc6)C3=O)ncn4	618
+c1cc(ccc1)COCC2C(CCCC2)=O	97
+O1CCOC12CCc3c(sc4c3c(O)ncn4)C2	1868
+[N+]([O-])(=O)c1ccccc1OC2CCOC2	57
+CC(C)(C)OC(NC1(CCOCC1)C#N)=O	37
+C1COCCC1(O)CNc2c3ccccc3ncc2[N+]([O-])=O	105
+C1CC(CCO1)(CNc2c3ccccc3ncc2N)O	13
+FC(F)(F)c1nc(ncc1NC(CC2CCOCC2)=O)Nc3cccc(Cl)c3	1616
+c1cc(ccc1C(C)(C)O)-c2cnc3NC(=O)CN(CCC4CCOCC4)c3n2	1368
+c1cc(ccc1N2CCN(CC2)C3COC3)Nc4ncnc(-c5cc(c(cc5)OCC6CCOCC6)C#N)n4	57
+C1COCCC1Cn2c(nc3c2c4c(nc3N)cccc4)CCl	461
+c1ccccc1CCCN2c3nc(ncc3N(C(=O)C(F)(F)C2)C)Nc4ccc(cc4OC)C(=O)NC5CCOCC5	14
+FC(F)(F)c1ccc(cc1)-c2c(n3c(n2)ccc(-c4ccccc4)c3)CN5CCOCC5	2093
+CC(C)(C)NC(c1c(-c2ccccc2C)cc(nc1)N3CCOCC3)=O	43
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2nc(nc(Cl)c2Oc3ccccc3OC)N4CCOCC4	117
+CC1(C)CC2(OCCO2)CC(C)(C)N1c3nc(nc(n3)N4CCOCC4)Cl	436
+C1CN(CCO1)c2cc(CCl)nc(n2)-c3ccccn3	54
+FC(F)(F)c1c(CN2CCOCC2)ccc(NC(=O)c3ccc(C)c(Br)c3)c1	48
+C1CN(CCO1)CCCN2c3c(C=4C=CC(=O)N(c5c(cccc5)C)N=4)c(-c6ccc(cc6)F)nn3CC2	123
+C1COCCN1c2c(cc([N+](=O)[O-])cn2)-n3cccn3	43
+C1COCCN1c2cc(F)c([N+]([O-])=O)cc2F	34
+C1COCCN1c2c(Br)cc(c(C)n2)[N+](=O)[O-]	43
+C1CN(CCO1)c2c([N+](=O)[O-])cc(Cl)cn2	361
+C1COCCN1c2ccc([N+](=O)[O-])cc2O	79
+C1CN(CCO1)c2nc(SCC)c(c(c2)C)C(O)=O	43
+C1COCCN1C(c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2)=O	30
+C1COCCN1C(c2cc(OC)c(cc2C)[N+](=O)[O-])=O	30
+C1COCCN1c2c3ccc4c(c3nc(Cl)n2)ccn4C	54
+C1COCCN1CCOc2cc3ccc[n+](c3cc2)[O-]	28
+C1COCCN1c2c(nc(s2)C)-c3ccc(cc3)OCCCCCOc4ccc(cc4)C#N	3934
+c1cc(ccc1S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3)C#CCN4CCOCC4	3958
+c1cc(ccc1F)-c2nc3c(ccc(N4CCOCC4)n3)n2-c5nc(ncc5)NC6CCCC6	43
+C1COCCN1CC(COc2cc3nccc(Oc4cc(c(cc4)NC(=O)Nc5ccc(cc5)F)F)c3cc2C#N)O	170
+c1cc(ccc1Nc2nc(N3CCOCC3)nc4CCCc24)C5(CCC5)C(OC)=O	117
+C1COCCN1CC(COc2ccc(cc2)C=3C(c4c(OC=3)cc(OC)cc4)=O)O	170
+C1CN(CCO1)C(COc2cc([N+]([O-])=O)ccc2)=O	10
+C1COCCN1C(=O)CN2N=Nc3c(C(=O)N)ncn3C2=O	10
+C1COCCN1C(c2cn[nH]c2)=O	1020
+c1ccccc1COc2ccc(cc2)OCC(CNCCNC(N3CCOCC3)=O)O	122
+FC(F)(F)c1cnc(Nc2c(OC)cc(C(=O)N3CCOCC3)c(C)c2)nc1NC	55
+C1COCCN1C(c2c(cc(N)c(c2)OC)C)=O	0
+C1CN(CCO1)Cc2cc([N+](=O)[O-])c(cc2)[N+](=O)[O-]	162
+C1CN(CCO1)C(=O)c2cnn(-c3ccc(OCCCN4CCCC4C)c(c3)F)c2	901
+c1cc(ccc1-n2cc(C(=O)N3CCOCC3)cn2)OCCCN4CCCC4C	568
+C1COCCN1CCC(c2ccccc2N)=O	0
+C1CN(CCO1)CCNC(=O)c2cc(C)c([nH]2)C=C3c4c(ncnc4N(C)C3=O)Nc5ccc(F)c(c5)Cl	2709
+C1CN(CCO1)CCOc2c(cc(cc2C)C=O)C	126
+C1COCCN1CCn2c(c(C(c3c4ccccc4c(C)cc3)=O)c5c2nccc5)C	3962
+C1CN(CCO1)NC(=O)c2cc(ccn2)Oc3cc(ccc3)NC(Nc4cc5c(cc4)n(nc5)C)=O	2096
+c1cc(ccc1)-n2c(ccn2)C=3C(C(OC)=CN(c4cc(F)c(N5CCOCC5)cc4F)N=3)=O	3964
+C1COCCN1c2cc(c(N3C=C(OC)C(C(=N3)C(O)=O)=O)cc2F)F	4
+C1COCCN1c2c(F)cc(N3N=C(C(=O)C(OC)=C3)C(=O)OC)c(c2)F	1181
+C1CN(CCO1)c2ncc(cc2-n3nccc3)N	13
+C1COCCN1c2c(O)cc(cc2)Nc3nc(c4cn[nH]c4n3)-c5cccc(NC(C=C)=O)c5	1002
+C1COCCN1c2ncccc2CO	295
+C1CN(CCO1)c2nc(nc3c4c(ccc23)n(cc4)C)-c5ccc(cc5)N	2099
+C1COCCN1c2cc(c(cc2F)N)F	0
+C1COCCN1c2c(F)cc(N3N=C(C(=O)C(=C3)OC)C(C)=O)c(F)c2	1183
+C1COCCN1c2cc(c(N3C=C(OC)C(C(=N3)C(=O)N(OC)C)=O)cc2F)F	2101
+C1CN(CCO1)c2ccc(N)cc2O	0
+C1CN(CCO1)c2cnc(c(c2)N)N3CCOCC3	13
+C1COCCN1c2cc(c3c(n2)n(c(n3)C)Cc4cccc5ccccc45)C(=O)O	1
+C1CN(CCO1)c2ncccc2CCl	447
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cc3c(n(C(C)C)c(C(=O)N4CCS(=O)(=O)CC4)c3)cc2	20
+c1cc(ccc1-c2cc(NC(c3sccc3)=O)ccc2C)C(Nc4ccc(cc4)CN5CCS(=O)(=O)CC5)=O	67
+Cc1cc(cc(C)c1-c2cc(ccc2)C=O)OCC3(CCSCC3)O	626
+c1cc(ccc1CC(F)F)C2CC(c3onc(n3)CCOC)CN(C(N4CCSCC4)=O)C2	468
+C1CSCCN1c2ncc(cc2)C#N	43
+C1CSCCN1c2ncc(cc2)CNC(c3ccc(cc3)-c4cc(F)ccc4)=O	14
+C1CSCCN1c2ncc(CN)cc2	388
+c1nc(c2n1-c3c(c(C(C)C(CO)O)ccc3)OC2)C(=O)OCC	3755
+c1c2c(ccc1)c(F)c(nc2)O	3974
+c12ccccc1N(CCO)CC2	95
+c1cc(ccc1F)S(=O)(=O)N2CCCc3c2cc(c(c3)C)[N+](=O)[O-]	416
+Cc1ccccc1-c2cc(c(C(=O)N3Cc4cccn4Cc5c3cccc5)cc2)OC	134
+c1cc(ccc1C)S(=O)(=O)OCCC2CCCCN2CCCCCCCCCCCCCCCCCC	36
+FC(F)(F)c1nnc2ccc(nn12)N3CCC(CC3)(c4ccc(cc4)OCCN5CCN(C(=O)C5)C)O	20
+C1N(CC1C(=O)N2CCCN(C(C)C)CC2)C(=O)c3cnc(C)cc3	85
+CC(C)(C)[Si](C)(C)OC1CN(C1)C(=O)OCc2ccccc2	19
+O=S(=O)(OC1CN(C1)c2c(c3N(C=C(C(=O)OCC)C(c3cc2F)=O)C4CC4)F)C	7
+c1ccccc1NC(c2cnc(cn2)N3CC(C3)Oc4cc(ccc4Br)F)=O	466
+Nc1cc(C)cc(-c2sc(nc2Cl)N3CCCNC(=O)C3)c1	836
+O=S(=O)(Cc1c(OCCN2CC(NCC2)=O)cc(C(Nc3ccc(Cl)c(-c4ccccn4)c3)=O)cc1)C	1508
+C1CC1C2(CN(C2)c3cc(Nc4n[nH]c(c4)C)nc(n3)SC)F	54
+FC(F)(F)COc1cc(ccc1Br)C(N2CC(C2)F)=O	30
+C1N(CC1N2CC(C2)NC(=O)C=C)C(CNc3cc(c(Cl)cc3O)Cl)=O	10
+C1C(CN1c2cnc(cn2)C(OC)=O)Oc3cc(ccc3Br)F	317
+CC(C)(C)OC(=O)N1CCc2sccc2CC1	23
+CC(C)(C#N)c1nn(-c2cc(OCCOC3CCCCO3)ccc2)c(N)c1	20
+c1(cc(CCOC2OCCCC2)ccc1)C=O	146
+O=S(=O)(n1cc(cc1)C=CC(=O)NOC2OCCCC2)c3cc(ccc3)Br	793
+C(OC(=O)CC1OB(c2cc(cc(C)c12)O)O)C	805
+C(F)C1(CF)OCC(CO1)COc2c(C)c(CO)ncc2	813
+C1OC(CF)(CF)OCC1COc2c(C)c([n+]([O-])cc2)C	857
+C1CC2(OCC(CO2)COc3cc[n+]([O-])c(c3C)CO)CCO1	3987
+C1C(CO1)(COC)CBr	76
+FC(F)(F)COc1c(C2CC2)ccc(C(NC3(COC3)c4nccs4)=O)n1	81
+c1ccccc1COC(N2CCc3c([nH]c4c3cccc4)C2)=O	613
+c1ccccc1COC(N2CCc3c([nH]c4c3cccc4)C2)=O	66
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(=O)c2cc1	166
+O(c1cc2CCCC(c2cc1)=O)c3ncc(cc3)C(=O)N	136
+Ic1cc2c(CCNC2=O)[nH]1	3989
+C(OC)(=O)C1Cc2c(ccc(c2)O)CC1	27
+c1c2c(ccc1)CC(C2)Nc3c4nc[nH]c4nc(-n5nc(C)cc5C)n3	2723
+C1c2ccccc2CC1Nc3c4nc[nH]c4nc(NN)n3	1657
+CC(C)(C)OC(=O)N1Cc2cc3cc(ccc3n2CC1)OC	23
+C1n2c3ccc(cc3nc2CNC1)C(=O)OCC	47
+C(C)OC(=O)c1cc2nc3n(c2cc1)CCN(C)C3	113
+c1(OCCN2CC=C(c3c[nH]c4ncccc34)CC2)c5c(nccc5)ccc1	2480
+C1=C(C(=O)OCC)C(=O)c2cc(c(F)c(F)c2N1C(C)CCl)F	221
+Cc1c(C)c(c(CC(=C)C)c(C)c1)O	1625
+C(Nc1c(Cl)cc(c(OC)c1)C=O)(C=C)=O	1313
+c1cc(ccc1CCNCCC(=O)OC)OC	1340
+C1(Nc2cccc(c2OC1)C(C)C=C)=O	2729
+CC(C)(C)OC(=O)N1CC(C1)Oc2c3cc[nH]c3c(cc2)Br	1654
+CC(C)(C)OC(NC(C(=O)C=C)CC1CCCC1)=O	1152
+c1cc(ccc1Nc2nc(Cl)nc3n(C=C)cnc23)P(C)(C)=O	1185
+FC(F)(F)c1cccc(C(Nc2cc(C=Cn3cnc4c(NC)ncnc34)c(cc2)C)=O)c1	914
+C=Cn1c2c(c(NC)ncn2)nc1	516
+CC(C)(C)OC(NC1CCN(C)CC1OC)=O	113
+CC(C)(C)n1c(NC(C(C)NC(OCc2ccccc2)=O)=O)cc(n1)C3(CCN(CC3)C)c4ccccc4	113
+FC(F)(F)c1cc(ccc1)N2C(=O)N(C)C(c3ccc(C#N)cc3C(OC)=O)C(C(=O)OCC)=C2C	807
+O=Cc1c(c(ccc1C)Br)O	491
+c1c2c(cc(CCl)c1)CCC2	915
+c1cc(ccc1-c2cc3c(cc(OCCOCCOCCF)cc3)cc2)N(C)C	1186
+CN(C)c1ccc(cc1)C=2Oc3c(cc(cc3)Br)C(=O)C=2	1186
+c1cc(ccc1-c2cc3c(cc(cc3)N(C)C)cc2)OCCOCCOCCF	1186
+CN1c2nc3c(cc2C(C(C(=O)O)=C1)=O)cc(c(N4CC(C)N(CC4)C)c3)F	113
+O=S(=O)(C)c1nnc(N2C(=O)N(NC2)CCCC)s1	2640
+c12c(CN(C)C1)c(N3CCOCC3C)nc(Cl)n2	113
+O(C)CC(COC)(C(OC)=O)c1ccc(O)c(C=O)c1	491
+c1cc(ccc1CC(C(OCC)=O)(C(OCC)=O)C)N2CCN(CC2)C	113
+c12c(cc(cc1cccc2)Br)C(OC)=O	1343
+c1cc(ccc1[N+]([O-])=O)CC(NC(=O)C)C2CN(C(=O)O2)C3(CC3)c4cccc(c4)C(C)C	1663
+c1(N2CC(CNC(C)=O)OC2=O)ccc(-c3scc(n3)Cn4ccnc4)c(F)c1	1663
+CC(C)(C)OC(=O)Nc1c(COC(=O)C)[n+](c(Cl)cc1)[O-]	983
+CC(C)(C)[Si](C)(C)OCCCOc1ccc(Cc2c(C)nc(nc2NC(CCC)CCOC(=O)C)N)c(OC)c1	152
+c1(NC(=O)C)c(Cl)cc(F)c(OCC)c1Br	125
+COc1cc([N+]([O-])=O)cc(c1NC(C)=O)Br	125
+FC(F)(F)c1cn2c(cc1)c(C(=O)C)c(-c3ccc(cc3)F)n2	2108
+FC(F)(F)c1cnc(Nc2cn(nc2)C3CCN(CC3)C(C)=O)nc1CCc4c(C(C(=O)N)C)cccc4	319
+CC(Nc1cccc2c1cc(cc2)O)=O	125
+CC(Nc1cccc(c1C)F)=O	125
+O=S(=O)(c1c(C(=O)OC)cccc1)NC(=O)Nc2nc(C)cc(COC(C)=O)n2	152
+COc1ccc(COC(C)=O)[n+](c1)[O-]	983
+O(C)c1cc2CCC(c3c(NC(C)=O)cc(cc3)OC)Cc2cc1	125
+Fc1c(F)cc(c(c1)NC(=O)C)CCCC(=O)O	3406
+c1(cc(F)ccc1Oc2c(ccc3c2C=CC([NH+]3[O-])=O)OC)F	4009
+c1(cc(ccc1)NC(C)=O)Br	125
+O(CCN1C(c2c(C=C1)c([N+]([O-])=O)c(Cl)cc2)=O)C(C)=O	152
+c12c(c(F)cc(F)c1OC(c3cc(F)c(cc3)NC(C)=O)=CC2=O)N	125
+CC(Nc1c(SC)c2ccccc2nc1)=O	2107
+c1(c(OC(C)=O)c(ccc1C=O)OC)Cl	225
+c1cc(cc([N+]([O-])=O)c1OCCCNC(C)=O)F	206
+c1cc(ccc1C(C)=O)CC	2109
+c1cc(ccc1)CNC(=O)C(NC(=O)C)COC	4016
+c1cc(ccc1OC(=O)C)OC	225
+c1cc(ccc1[N+]([O-])=O)OCC2(Oc3cc(Cl)c(cc3C(C2)=O)OC(C)=O)C	225
+c1ccccc1COC(c2c(ccc(c2)COC(C)=O)OC)=O	152
+C(C)(c1c(n(Cc2ccccc2Cl)c3cc(ccc13)C(=O)N)CCC)=NO	1375
+CC(=O)c1c2c(cc(cc2)C(=O)N)n(c1CCC)Cc3ccccc3Cl	169
+CC(C)(C#N)c1nn(c(N)c1)-c2cccc(O)c2	752
+CC(C)(c1cc(cc(C(C)(C)C#N)c1)Cn2ncnc2)C#N	4022
+CC(C)(C#N)c1ncc(cc1)Nc2c3cc(Br)ccc3ncc2N	13
+CC(C)(c1ncc(cc1)N)C#N	13
+CC(C)(c1nc(ccc1)N)C#N	1380
+ClC(Cl)(Cl)COC(=O)Nc1cc(C(C)(C)C#N)nn1-c2cccc(OCCOC3CCCCO3)c2	278
+CC(C)(C(=O)OCC)c1nsc2ccc(cc12)[N+](=O)[O-]	2061
+CC(C)(C(=O)OCC)c1nsc2ccc(N)cc12	0
+CC(C)(C(C(N1CCCC1C(O)=O)=O)NC(OCC)=O)SC(C)C	4
+c1cc(ccc1)[Si](c2ccccc2)(OCC(C)(C)C(=O)CBr)C(C)(C)C	328
+c1cc(ccc1)CSC(C)(C)C(C(=O)O)N	639
+CC(C)(O)C(C)Oc1ncnc(Cl)c1	145
+C(C)C(CC)(c1cc(c(C#CC2(CCCC2)O)cc1)C)c3cc(c(C(NC(C)(C)C(OC)=O)=O)cc3)C	259
+CC(C)(C(C)Oc1ncnc(OCC#CCC)c1)F	1138
+CC(C)(C)C#Cc1ccc(C(=O)C)cc1Cl	197
+CC(C)(C)C#Cc1nc(Cl)ccc1N	3407
+CC(C)(C)C#Cc1c(Cl)cc(cc1Cl)[N+](=O)[O-]	121
+CC(C)(C)C#Cc1c(cc(cc1Cl)N=C=S)Cl	333
+CC(C)(C)C#Cc1c(Cl)cc(cc1Cl)N	0
+CC(C)(C)CCc1c(cc(C(C)=O)cc1)Cl	213
+CC(C)(C)C#Cc1c(ccc(Cl)n1)NC(=O)CCC	308
+CC(C)(C)C(=O)COc1c(cc(cc1)C(CC)(CC)c2cc(c3oc(C(=O)OCC)cc3c2)C)C	717
+CC(C)(C)C1(OCCO1)COc2c(cc(cc2)C(CC)(CC)c3cc(c4oc(C(=O)OCC)cc4c3)C)C	381
+CC(C)(C)C(=O)Nc1ccc(c(OC)c1)Cl	26
+CC(C)(C)C(NC(c1nccnc1Cl)c2ccc3ccc(-c4ccccc4)nc3c2)=O	68
+CC(C)(C)C(=O)Nc1ccc(-c2ccccc2)cn1	195
+CC(C)(C)C(=O)NCc1c(F)c(C(Nc2cccc3c(ncnc23)Oc4cccc(C(F)(F)F)c4)=O)c(cc1)Cl	487
+Nc1c(-c2ncccc2)cc(Br)c(F)c1[N+]([O-])=O	685
+CC(C)(C)C(=O)Nc1c(-c2ccccn2)cc(Br)c(F)c1[N+]([O-])=O	31
+CC(C)(C)C(Nc1c(C=O)cc(-c2ccccc2)cn1)=O	1031
+CC(C)(C)C(=O)Nc1c(C=O)c(OC)c(cc1)Cl	151
+CC(C)(C)C(Nc1c(I)cc(N2CCN(CC2)C)nc1)=O	916
+CC(C)(C)C(=O)OCn1nc(cc1)N2C(C(C(O)C(OC(C)(C)C)=O)OCC2)=O	4034
+CC(C)(C)C(=O)OCn1nc(cc1)N2CCOC(C(O)C(=O)O)C2=O	32
+CC(C)(C)C(=O)OCn1nc(N2C(C(C(O)C(Nc3ccc(cc3C(N)=O)I)=O)OCC2)=O)cc1	33
+CC(C)(C)C(NC(=O)c1ccccc1C)C(O)=O	946
+CC(C)(C)OC(=O)C(C(C)(C)C)NCCN	45
+CC(C)(C)C(NC(c1ccccc1C)=O)C(=O)N	83
+CC(C)(C)OC(=O)NC(C(C)(C)C)C(=O)N1C(C(NC(Cc2ccc3ccccc3c2)C(=O)OC)=O)C(CC1)N=[N+]=[N-]	348
+CC(C)(C)C(NC(c1ccc(cc1)-c2cnc3n(n2)c(C4(CC4)c5ccc6ncsc6c5)nn3)=O)C(O)=O	32
+CC(C)(C)C(C(=O)N(C)C)NC(c1ccc(cc1)-c2cnc3n(n2)c(C4(CC4)c5ccc6ncsc6c5)nn3)=O	10
+CC(C)(C)c1n2ccnc(Cl)c2c(-c3cc4nc(-c5ccccc5)ccc4cc3)n1	4042
+CC(C)(C)C(=O)NCc1c(c(C(O)=O)c(cc1)Cl)F	6
+CC(C)(C)C(Nc1ncc(-c2ccccc2)cc1-c3[nH]c4ccccc4n3)=O	1637
+CC(C)(C)C(Nc1cnc(N2CCN(CC2)C)cc1-c3c(C)cccc3)=O	1164
+C1CN(CCN1C)c2cc(-c3c(C)cccc3)c(cn2)N	4032
+CC(C)(C)C1CCC2(CC1)CC(CN)(CO2)O	51
+CC(C)(C)CC(=O)Nc1c(c(c2c(C(c3ccc(c(OCC(OCC)=O)c3)C(C)C)CO2)c1C)C)C	52
+CC(C)(C)CC(=O)Nc1c(c(c2c(C(c3ccc(c(OCCO)c3)C(C)C)CO2)c1C)C)C	44
+CC(C)(C)CC(=O)Nc1c(c(C)c2c(c1C)C(CO2)c3cc(O)c(cc3)C(C)C)C	5
+CC(C)(C)CC(=O)Nc1c(c2c(OCC2c3ccc(c(OC)c3)C(C)=O)c(c1C)C)C	94
+CC(C)(C)CC(=O)Nc1c(c(c2c(c1C)C(CO2)c3cc(OC)c(C(C)C)cc3)C)C	1382
+CC(C)(C)CC(=O)Nc1c(c2c(OCC2c3ccc(C(=C)C)c(OC)c3)c(c1C)C)C	2748
+FC(F)(F)c1cc(Br)cc(Cl)c1NC(=O)CC(C)(C)C	26
+CC(C)(C)CC(c1ccc(cc1)S)=O	3960
+CC(C)(C)CCc1ccc(cc1)S	165
+CC(C)(C)CC1C(c2cnc(Cl)cc2)(C(C(C(O)=O)N1)c3cccc(Cl)c3)C#N	32
+CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O	9
+CC(C)(C)CC1NC(C(NCCC(O)CO)=O)C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3	265
+CC(C)(C)COc1ccc(cc1)N2C(C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)N=C2CC)=O	116
+CC(C)(C)CN(c1c([N+](=O)[O-])c(ncn1)Nc2c(C)ccc(C(NC)=O)c2)C	73
+CC(C)(C)CN(C)c1c(c(ncn1)Nc2cc(C(NC)=O)ccc2C)NC(=O)C	1616
+CC(C)(C)CN(C)c1ncnc(Nc2cc(C(NC)=O)ccc2C)c1N	193
+CC(C)(C)CN(C)c1ncnc(Cl)c1[N+]([O-])=O	54
+CC(C)(C)COC(NC1CN(CC1)c2nc(-c3c(cccc3)O)nc4c2ccc(c4)C)=O	101
+CC(C)(C)COc1ccc(cc1)N2C(=O)C(=C(CCC)N=C2CC)Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4	1671
+CC(C)(C)OC(=O)NCc1c(c(CO)c(nc1CC(C)(C)C)C)-c2ccc(cc2)C	2751
+CC(C)(C)Cc1c(C#N)c(c(CO)c(n1)C)-c2ccc(cc2)C	4051
+CC(C)(C)Nc1nc2c(-c3[nH]c4CCNC(c4c3)=O)cccc2nc1C	3726
+CC(C)(C)Nc1nc(c(cc1F)C#N)Cl	70
+CC(C)(C)NC(=O)C(CC)Oc1ccc2ncc(Br)cc2c1	9
+CC(C)(C)NCCCOc1c(cccc1)C(C)=O	284
+FC(F)(F)c1ccc(cc1)C2N(C(=O)NC(C)(C)C)CCc3c2cccc3OC	384
+CC(C)(C)NC(c1c(cc(nc1)Cl)-c2ccccc2C)=O	4056
+CC(C)(C)NC(CN1C(c2c(C)c(C(=O)OC)sc2N=C1)=O)=O	3917
+CC(C)(C)NC(CN1C(=O)c2c(C)c(C(O)=O)sc2N=C1)=O	1
+CC(C)(C)NC(Cn1cnc(c1CN)C)=O	18
+CC(C)(C)NCCCOc1c(C(=O)C=Cc2c3cc[nH]c3ccc2)cccc1	307
+CC(C)(C)n1nc(CCCO)cc1-c2ccc(cc2)Cl	2514
+CC(C)(C)NS(=O)(=O)c1c(ccc(CC#N)c1)OC	163
+O=S(=O)(N)c1cc(ccc1OC)CC#N	627
+CC(C)(C)NS(=O)(=O)c1cccc2c(NCCCN)nsc12	4060
+CC(C)(C)NS(=O)(=O)c1cccc2c(NCCCNC(=O)c3ccc(cc3)I)nsc12	14
+CC(C)(C)NS(=O)(=O)c1cccc2c(nsc12)NCCCNC(c3ccc(cc3)-c4ccc(cc4)OC)=O	134
+O=S(=O)(N)c1c([Se]C)cccc1	627
+CC(C)(C)Nc1c(F)cc(c(N)n1)C#N	4062
+CC(C)(C)Nc1nc(NCc2ccccc2)c(cc1F)C#N	70
+CC(C)(C)Nc1nc2c(-c3[nH]c4c(C(NCC4)=O)c3Cl)cccc2nc1C	573
+CC(C)(C)OC(=O)C(NC(OC(C)(C)C)=O)CCC(OCc1ccccc1)=O	2761
+CC(C)(C)OC(NCCc1cc(Cc2cccnc2)cc(c1)CCC(OCC)=O)=O	1590
+FC(F)(F)C1(CCC2(C(=O)O)C(C1)CCCc3c2cc4cnn(c4c3)-c5ccc(cc5)F)O[Si](CC)(CC)CC	1329
+CC(C)(C)OC(Nc1c(c2c(OCCO2)cc1)[N+]([O-])=O)=O	673
+c1(C(=O)O)cc(C)c(O)c(Cl)c1	789
+O=S(=O)(c1nccc(C(CC(=O)O)NC(=O)c2cncc3c2cnn3-c4ccc(cc4)F)c1)C	1329
+CC(C)(C)OC(=O)Nc1cc2c(nc1)CCCN2S(=O)(=O)c3cc(ccc3)C	1291
+CC(C)(C)OC(=O)Nc1cc2ccc(cc2cc1)Br	673
+c1c(OC)ccc2c1n(Cc3ncccc3)c(C(=O)OC)c2C(=O)O	2762
+CC(C)(C)OC(=O)Nc1ccc2c(ccc(C#N)c2)c1	2117
+CC(C)(C)OC(NCCc1cc(cc(c1)CCC(OCC)=O)Cc2ccc(cc2)F)=O	1590
+c1cc(ccc1-c2c(O)cccc2)-c3c(cc4[nH]cc(C(O)=O)c4c3)F	2762
+CC(C)(C)OC(C(c1ccc(cc1)[N+]([O-])=O)C)=O	2761
+CC(C)(C)C(C(OC(C)(C)C)=O)NCCNCc1ccccc1	42
+O=S(=O)(C)c1ccc(C(=O)CC(=O)CC)c(Cl)c1	4068
+CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1CCC(=O)NCCOc2ccc(cc2)Cl	517
+CC(C)(C)OC(NC(CCCSC(C)=O)C(OC(C)(C)C)=O)=O	2495
+CC(C)(C)C(NS(=O)(=O)c1cc2c(c(Cl)cnc2Cl)cc1)C(OC(C)(C)C)=O	592
+CC(C)(C)C(NC(c1ccc(cc1)-c2cnc3n(n2)c(C4(CC4)c5ccc6ncsc6c5)nn3)=O)C(=O)OC(C)(C)C	259
+CC(C)(C)OC(NC(CCC(=O)O)C(=O)OC(C)(C)C)=O	210
+CC(C)(C)OC(C(c1ccc(cc1)N2C(c3c(C2)ccc(Cl)c3)=O)C)=O	1473
+CC(C)(C)OC(C(c1ccc(cc1)N2C(=O)c3cc(Br)ccc3C2)C)=O	1473
+CC(C)(C)OC(C1N(C(=O)CNC(=O)OC(C)(C)C)C(c2ccccc2)CC1)=O	478
+CC(C)(C)OC(N1CC(O)CC1C(=O)OC(C)(C)C)=O	2118
+CC(C)(C)OC(C1CCC(N1C(CNC(Nc2cc(ccc2)C(C)C(O)=O)=O)=O)c3ccccc3)=O	210
+CC(C)(C)OC(C1N(C(=O)OC(C)(C)C)CC(C1)N=[N+]=[N-])=O	298
+CC(C)(C)OC(=O)C=Cc1cnc2NC(CN(C)Cc2c1)=O	1953
+CC(C)(C)OC(=O)C=Cc1ccc(c(F)c1)C=O	233
+CC(C)(C)OC(=O)C=Cc1ccn(S(=O)(=O)c2cc(ccc2)Br)c1	917
+O=Cc1ccc(C=CC(=O)O)cc1F	628
+O=S(=O)(n1ccc(C=CC(=O)O)c1)c2cc(ccc2)Br	628
+C(=O)(O)C=Cc1cc2CN(C)CC(=O)Nc2nc1	628
+CC(C)(C)[Si](C)(C)Oc1ccc2c(n(CC(=O)OC(C)(C)C)cc2)c1	256
+CC(C)(C)OC(CN(Cc1cc(ccc1)-c2noc(-c3cc(c(-c4ccccc4C)cc3)COC)n2)C(C)C)=O	303
+CC(C)(C)OC(=O)COCc1cc(ccn1)C(F)(F)F	337
+CC(C)(C)OC(CN1C(=O)N(CC1)c2ccccn2)=O	4072
+CC(C)(C)OC(COc1ccc(C=O)cc1-c2cc(c(cc2)F)S(=O)(=O)C)=O	52
+CC(C)(C)OC(COc1c2CCCCC(=O)c2ccc1)=O	52
+CC(C)(C)OC(=O)COc1ccc(cc1)-c2ccc(cc2)C#N	52
+CC(C)(C)OC(COCCOc1ccc2c(c1)c(c(c(CC(C)C)n2)C#N)-c3ccc(cc3)C)=O	337
+CC(C)(C)OC(=O)Cn1c2c(CCN(C(=O)OCc3ccccc3)C2)c4c1cccc4	256
+CC(C)(C)OC(CC(NS(=O)(=O)c1ccc(NC(=O)C)cc1OCCc2cccc3ccccc23)C=O)=O	378
+CC(C)(C)OC(=O)CC(NS(=O)(=O)c1ccc(cc1OCCc2cccc3ccccc23)N)C(N(C)OC)=O	0
+CC(C)(C)OC(=O)CC(NS(=O)(=O)c1c(cc(NC(=O)C)cc1)OCCc2cccc3ccccc23)C(N(C)OC)=O	26
+CC(C)(C)OC(=O)CCCOc1c(cc(C#N)cc1Cl)C	8
+C1CCC(C1)c2nc(cc(c2)-c3onc(n3)-c4cc(c(c(Cl)c4)OCCCC(O)=O)C)OC	32
+CC(C)(C)OC(=O)CCCOc1c(cc(cc1Cl)C(=N)NO)C	181
+CC(C)(C)OC(CCNS(=O)(=O)c1cc2c(ncc(Cl)c2cc1)Cl)=O	71
+Clc1ccc(c(C(Nc2nn(cc2)-c3ccc(c(C)c3)C)=O)c1)NC(=O)c4cccc(CSCCC(=O)O)c4	32
+CC(C)(C)OC(=O)CN=CCC(C)(C)CCN=[N+]=[N-]	2768
+CC(C)(C)OC(CNC(C=1C(=O)C(C)(C)c2c(ccc(c2F)O)C=1O)=O)=O	3948
+FC(F)(F)c1ccnc(c1)COCC(=O)O	32
+CC(C)(C)OC(=O)COc1ccc(C(NO)=N)cc1F	181
+CC(C)(C)OC(COc1ccc(cc1F)-c2nc(-c3cc(c(-c4ccccc4C)cc3)COC)on2)=O	529
+c1cc(ccc1-c2ccc(cc2)OCC(=O)O)C#N	32
+CC(C)(C)OC(Cc1ccc(OCc2ccccc2)cc1C#N)=O	2024
+CC(C)(C)OC(=O)Cn1c2c(cccc2)c3CCNCc13	62
+CC(C)(C)OC(Cn1c2c(c3ccccc13)CCN(C(=O)Nc4cc(ccc4)C)C2)=O	326
+c1cc(ccc1)-c2nc(COc3cc4c(ccn4CC(=O)O)cc3)c(C)s2	32
+FC(F)(F)c1ccc(c(c1F)F)-c2sc(COc3ccc4ccn(CC(OC(C)(C)C)=O)c4c3)c(C)n2	2119
+CC(C)(C)OC(=O)Cn1ccc2ccc(OCc3nc(-c4ccccc4)sc3C)cc12	3947
+CC(C)(C)OC(=O)N(Cc1ccc(cc1)C(=O)O)C(C)C	1
+CC(C)(C)OC(N(C(CCN1c2c(N(c3c(F)cccc3)S1(=O)=O)cccc2)c4ccccc4)C)=O	1909
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C(CCCO)(C)C(OC1CCCC1)=O	35
+CC(C)(C)OC(N(CCN(C)Cc1c2cc(ccc2n(C3OCCCC3)n1)Oc4ccc(cc4)[N+](=O)[O-])C)=O	315
+CC(C)(C)OC(N(CCOCCNc1c(cnc2ccccc12)[N+](=O)[O-])C)=O	105
+CC(C)(C)OC(N(c1cc(Nc2nc(ncc2F)Nc3ccc(cc3)OCCOCOCCOC)ccc1)C)=O	55
+CC(C)(C)OC(=O)N(C)c1cc(Nc2nc(ncc2F)Cl)ccc1	73
+CC(C)(C)OC(N(Cc1ccc(cc1)-c2ccccc2)C3CC(C(=O)N(OC)C)CC3)=O	164
+CN(C)C1CCC(=CC1)c2c3ncccc3[nH]c2	352
+CC(C)(C)OC(=O)N(CC(O[Si](C)(C)C(C)(C)C)c1cnc(-n2c(ccc2C)C)cc1)CC3CCc4c(ccc(I)c4)O3	19
+CC(C)(C)OC(N(CC1(c2ccccc2)CC1C=O)C)=O	24
+CC(C)(C)OC(=O)N(CCN1C(C(C(NC)=O)CC1)c2cc(nc(n2)-n3ccnc3)C)Cc4ccc5OCOc5c4	61
+C(NCCN1CCC(C(NC)=O)C1c2cc(nc(n2)-n3ccnc3)C)c4ccc5OCOc5c4	2
+CC(C)(C)OC(=O)N(CCOCCn1c(nc2c1c3ccccc3nc2N)CCOC)C	445
+CC(C)(C)OC(=O)N(CCOCCn1c2c3c(cccc3)[n+]([O-])cc2nc1CCOC)C	359
+CC(C)(C)OC(=O)N(CCOCCn1c(nc2c1c3ccccc3[n+]([O-])c2N)CCOC)C	574
+CC(C)(C)OC(N(Cc1ccccc1)CCc2ccc(cc2)Oc3ccc(cc3)[N+]([O-])=O)=O	46
+CC(C)(C)OC(=O)N(Cc1cc(CCO)ccc1)CCc2ncccc2	168
+CC(C)(C)OC(N(C)Cc1ccc(OC)c(N)c1)=O	0
+CC(C)(C)OC(=O)N1C(=O)C(CC1)C	4082
+CC(C)(C)OC(N1C2CC(C1C(N3C(C#N)CCC3)=O)CC2OCC(=O)O)=O	3
+CC(C)(C)OC(=O)N1CCCC1C(N)=O	83
+CC(C)(C)[Si](C)(C)OCC1C(CCN1C(=O)OC(C)(C)C)O	19
+c1cc(ccc1)C(C)=CCC(CO)N	2122
+CC(C)(C)OC(=O)N1CCC1CN	18
+c1cc(ccc1NS(=O)(=O)c2cccc3cnccc23)CCC(N)CO	2122
+c1cc(ccc1)-c2cc(Oc3ccc(cc3)C#N)c(NCC4NCCC4)cc2	2
+CC(C)(C)OC(=O)N1C(CCc2ccc(cc2)NS(=O)(=O)c3cccc4cnccc34)COC1(C)C	69
+CC(C)(C)OC(N1C(Cc2cc([N+](=O)[O-])ccc2C1)C(O)=O)=O	3
+CC(C)(C)OC(N1C2CCC1CC(C2)C#[N+]CS(=O)(=O)c3ccc(cc3)C)=O	1141
+c1(-c2cc(ccc2)CN3C(CNCC3)C(=O)O)ccnc(Cl)n1	2
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1C)c(C(=O)N4C(CN(CC4)C(OC(C)(C)C)=O)C)cn2	2778
+CC(C)(C)OC(N1CC(C1)Oc2ccc(Br)c(c2)[N+]([O-])=O)=O	624
+CC(C)(C)OC(=O)N1CC(C1)Oc2c3c([nH]cc3)c(cc2)C#N	2779
+C1CN(CCO1)C2C(CNCC2)F	2
+CC(C)(C)OC(=O)N1CC(c2cc(c(N)cc2)C)OCC1	0
+CC(C)(C)OC(=O)N1CC2C(CC(CC2=O)COS(=O)(=O)c3ccc(cc3)C)C1	36
+CC(C)(C)OC(=O)N1CC2CC(CC(C2C1)(c3ccccc3OC)O)COS(=O)(=O)c4ccc(cc4)C	1035
+CC(C)(C)OC(=O)N1CC2CC(CC#N)CC(c3ccccc3OC)(O)C2C1	677
+O=C1CC2N(CCNC2)c3c(cccc3)N1	2
+CC(C)(C)OC(N1C2CN(c3nc(Cl)nc(-c4cnc(N)c(C(F)(F)F)c4)c3)C(C1)C2)=O	54
+CN(C)C(=O)N(CCN1CC2CNCC(C1)O2)CCOc3ccc(cc3)C#N	2
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3cc(ccc3n(c2)S(=O)(=O)C)[N+](=O)[O-]	4093
+CC(C)(C)OC(N1CCC(CC1)(C=O)COCc2ccccc2)=O	4095
+CC(C)(C)OC(=O)N1CCC(CC1)(C)COS(=O)(=O)C	7
+CC(C)(C)OC(N1CCC(CC1)(C)CC#N)=O	300
+C1CNCCC1(O)Cn2c3c4c(cccc4)ncc3nc2COCC	2
+CC(C)(C)OC(N1CC=C(CC1)c2c(C)cccc2F)=O	252
+CC(C)(C)OC(N1CCC(CC1)C#Cc2c(nc(C)nc2Cl)N)=O	2516
+CC(C)(C)OC(N1CCC(CC1)C(OC)c2ccccc2)=O	76
+C1CC(CCN1)C2(C)Oc3ccc(cc3C2)Br	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(c(nc(n2)SCc3cc(C)ccc3C)O)C#N	3896
+CC(C)(C)OC(=O)N1CCC(CC1)C=2NC(=S)NC(C=2C#N)=O	3700
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C2)C(=O)ON3C(CCC3=O)=O)=O	884
+CC(C)(C)OC(=O)N1CCC(CC1)CCC(N2CCCC(C(NC(c3cc(F)cc(Br)c3)CC(=O)OC)=O)C2)=O	1280
+C1CNCCC1CCNC(=O)C=C	2
+C1CNCCC1CCOc2cc(F)cc(Nc3ccc(I)cc3F)c2[N+](=O)[O-]	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)C2=Cc3c(C)cccc3N(C(C)C)C2=O	3900
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ncc3c([nH]nc3-c4ccnc(SC)n4)n2	96
+CC(C)N1C(C(=Cc2c(C)cccc12)C(=O)NCC3CCNCC3)=O	2
+C1CC(CCN1)CNc2ncc3c(n2)[nH]nc3-c4ccnc(n4)NCc5cccc(Cl)c5	2
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2nc3c(c(n[nH]3)-c4ccnc(n4)NCc5cccc(Cl)c5)cn2	306
+CC(C)(C)OC(=O)N1CCC(CC1)CNc2ncc3c(-c4ccnc(S(C)=O)n4)n[nH]c3n2	172
+C1CC(CCN1)COc2cc(ccc2)C(OC)=O	2
+C1CC(CCN1)COc2cc3c(c(ncn3)Oc4cc5c(c[nH]c5cc4)C)cc2OC	2
+CC(C)(C)OC(=O)N1CCC(CC1)COc2cc3c(c(ncn3)Oc4cc5c(c[nH]c5cc4)C)cc2OC	185
+C1CC(CCN1)Cc2oc3c(ccc(c3)-c4c5c(cc(F)cc5)n(S(=O)(=O)c6ccccc6)c4)n2	2
+CCN(CC)C(=O)N(C1CCNCC1)C2CCCCC2	2
+c1cc(ccc1)COc2ccc3c(C(=O)N(C(=O)N3C4CCNCC4)Cc5ccc(OC)c(c5)OC)c2	2
+C1CN(CCC1N2C3CCCCC3OCC2=O)C4CCNCC4	2
+C1CNCCC1Nc2nc(NCCCN(C)C)nc3ccccc23	2
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2c3ccccc3nc(NCCCN(C)C)n2	798
+CC(C)(C)OC(N1CCC(CC1)Oc2cc3n(-c4cc(OC(C)c5ccccc5Cl)c(C(OC)=O)s4)cnc3cc2)=O	419
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2cnc(cc2)Cl	981
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ncc(cc2)Br	640
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c3cnn(c3ncn2)-c4ccc(cc4)S(=O)(=O)C	2557
+CC(C)(C)OC(=O)N1CCC(CC1)OCCN2CCCCC2	15
+CC(C)(C)OC(N1CCC(CC1)OCCCCCOC)=O	176
+C1CNCCC1OCCN2CCCCC2	2
+O=S(=O)(c1ccc(cc1)-n2ncc3c(OC4CCNCC4)ncnc23)C	2
+C1CS(=O)(=O)CCN1C(=O)c2n(c3c(cc(cc3)OC4CCNCC4)c2)C(C)C	2
+CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(-n3c4c(cc3)cc(cc4)C(NCCO)=O)nc2	4100
+CC(C)(C)OC(N1CCC(CC1)Oc2ncc(cc2)-c3ccc(cc3)F)=O	89
+C1CC(CCN1)c2cc(OC)ccc2Br	2
+C1CNCCC1c2nc(nc(c2C#N)O)SCc3cc(C)ccc3C	2
+c1ccccc1COC(Nc2ccc(c(c2)C3CCNCC3)C)=O	2
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(ccc(NC(OCc3ccccc3)=O)c2)C	90
+c1cc(ccc1)C(N(C)C(c2csc(C3CCNCC3)n2)=O)CC	2
+C1CC(CCN1)n2cc(-c3cc(-c4nc5c(c(C(NC)=O)ccc5)o4)c(nc3)N)cn2	2
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3cc(-c4nc5c(c(C(NC)=O)ccc5)o4)c(nc3)N)cn2	1036
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3cc(-c4nc5c(c(ccc5)C(O)=O)o4)c(nc3)N)cn2	1
+FC(F)(F)c1cnc(Nc2cnn(C3CCN(CC3)C(=O)OC(C)(C)C)c2)nc1Cl	486
+CC(C)(C)OC(N1CCC(CC1)n2ncc(Nc3nc(CCc4ccccc4C(C(=O)N)C)c(Cl)cn3)c2)=O	486
+CC(C)(C)OC(N1CCC(CC1C(OC2CCCC2)=O)N)=O	273
+CC(C)(C)OC(=O)N1CCC(OC)CC1c2ccccc2OC	76
+C1CNC(CC1OC)c2ccccc2OC	2
+CC(C)(C)OC(=O)N1CCC1CNC(c2cc(F)c(nc2NCCc3cccc(F)c3)-c4cnn(c4)C)=O	56
+c1(C(=O)NCC2NCC2)cc(F)c(nc1NCCc3cccc(F)c3)-c4cnn(C)c4	2
+C1C(CC1)CN2C(C(c3cc(ccc3)Cl)=CC=4CNCCC2=4)=O	366
+CC(C)(C)OC(=O)N1CCC=2N(CC3CCC3)C(=O)C(=CC=2C1)c4cc(ccc4)Cl	3993
+CC(C)(C)OC(=O)N1CCCC(C1)CNC(=O)CCc2ncc(cn2)-c3ccc(c(OC)c3)OC	9
+CC(C)(C)OC(=O)N1CC(CCC1)Nc2c3c(nc(n2)Nc4ccc(cc4)N(C)C(=O)CC)n(C5OCCCC5)cn3	55
+CC(C)(C)OC(N1C(C(=O)Nc2cc3c(cc2)n[nH]c3)C(CCC1)c4ccccc4)=O	33
+CC(C)(C)OC(=O)N1C(c2nnn[nH]2)CCC1	420
+CC(C)(C)OC(=O)N1CCCC1C#N	143
+CC(C)(C)OC(=O)N1C(CNc2ccc(cc2Oc3ccc(cc3)C#N)-c4ccccc4)CCC1	291
+c1c(C2NCCC2)cc(c(-c3nc4cccc(C(=O)N)c4[nH]3)c1)F	2
+CC(C)(C)OC(=O)N1CCN(CCC1)C(=O)c2nn(-c3ccsc3)c4-c5cc(CC(C)C)c(OC)cc5OCc24	147
+C1CNCCN1Cc2cc(ccc2N3CCCC3)Cl	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(cnc2N)OCc3cccc(Cl)c3	1335
+CC(C)(C)OC(N1CCN(CC1)c2c(cccc2)-c3ccc(cc3)C=O)=O	11
+C1CNCCN1c2nc(cnc2N)OCc3cccc(Cl)c3	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc3ccccc23)NC4CCN(C4)Cc5ccccc5	798
+c1ccccc1CC(=O)N2CC(CC2)Nc3nc4c(c(n3)N5CCNCC5)cccc4	2
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc3ccccc23)NC4CNCC4	25
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(nc3ccccc23)NC4CCN(C(=O)Cc5ccccc5)C4	58
+CC(C)Cc1cc-2c(OCc3c(nn(-c4cscc4)c-23)C(=O)N5CCNCCC5)cc1OC	2
+c12c(c(OCCCC(OC)=O)c(C)cc1cccn2)N3CCCNCC3	2
+CC(C)(C)OC(N1CCN(CC1)C(NCc2ccc(cc2)C#N)=O)=O	1893
+CC(C)(C)OC(N1CCN(CC1)c2c(ccc(F)c2C#N)F)=O	34
+CC(C)(C)OC(N1CCN(CC1)CCCCN2C(c3c(C2=O)cccc3)=O)=O	28
+CC(C)(C)OC(N1CCN(CC1)c2c(F)cc(C(=O)OC)cc2)=O	34
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2)Br	79
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(N)ncc(Br)n2	2089
+CC(C)(C)OC(N1CCN(CC1)CCc2ccc(cc2)CCc3nc(NC(=O)C)sc3)=O	28
+n1c(oc2ccc3c(c12)CCNCC3)C	2
+c1c(C)cc(C)c2c1c3CNCCc3n2C	2
+O=C(c1ccc(Oc2cc3CCNCCc3cc2)nc1)NC	2
+c1cc(CNc2c3c(nc4ccc(cc24)C#N)CCNC3)cc(Cl)c1OC	2
+CC(C)(C)OC(N1CCn2c(C1)c(C=O)c3cc(OC)ccc23)=O	287
+CC(C)(C)OC(=O)N1CCOc2c(ccc(O)c2)C1	16
+CC(C)(C)OC(=O)NC(C(=O)OC)CCC(OS(=O)(=O)C)CNC(OCc1ccc(cc1)[N+](=O)[O-])=O	7
+CC(C)(C)OC(NC(CCC(SC(C)=O)CNC(=O)OCc1ccc(cc1)[N+](=O)[O-])C(OC)=O)=O	2128
+CC(C)(C)C(N)C(N1CCC(N=[N+]=[N-])C1C(=O)NC(Cc2ccc3ccccc3c2)C(=O)OC)=O	84
+C1CCCCC1CC(N)C(CCC(C)C)O	12
+CC(C)(C)OC(NC(C(=O)O)CC=1CCCC=1)=O	4
+CC(C)(C)OC(=O)NC(C)(C)C(=NO)N	609
+CC(C)(C)OC(=O)NC(C)(C)c1noc(n1)C	2584
+CC(C)(c1nc(C)on1)N	12
+c1cc(ccc1)C#Cc2cc(cc(NC(=O)C(N)C)n2)Cl	84
+CC(C)(C)OC(=O)NC(C)Cn1c2c3c(ccc2cn1)OCC(CN=[N+]=[N-])O3	600
+c1cc(ccc1C(CC#N)N)-c2ccccc2	12
+CC(C)(C)OC(NC(C(=O)OC)CCCc1nc[nH]c1)=O	27
+CC(C)(C)OC(=O)NC(C)CNc1nc(ccn1)-c2oc(nc2-c3c(F)c(NS(=O)(=O)C)cc(c3)Cl)C4CC4	306
+CC(C)(C)OC(=O)NC(CCS(=O)(=O)C)CN(Cc1cc(ccc1)Cl)C(=O)OCc2ccccc2	66
+c1cc(ccc1)CNC(=O)C(COC)N	84
+CC(C)(C)OC(NC(C(CCl)O)Cc1ccccc1)=O	100
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(CN(Cc2ccccc2)C)O	170
+C(N)(C(=O)N)Cc1cccnc1	84
+CC(C)(C)OC(=O)NC12CC3CC1CC(C2)(C3)CN4C(c5c(cccc5)C4=O)=O	332
+CC(C)(C)OC(=O)NC12C3CC(C1)CC(CO)(C3)C2	118
+c12c(C(=O)N(C1=O)CC34CC5(CC(CC5C3)C4)N)cccc2	12
+C1CCN(CC(OC)=O)C(=O)C(N)C1	84
+Clc1c(nc(c2c1CNC2=O)-c3cn(C)nc3)NC4CCCCC4N	12
+CC(C)(C)OC(NC1CN(CC1O[Si](C)(C)C(C)(C)C)Cc2ccccc2)=O	19
+CC(C)(C)OC(NC1C(CNCC1)OC)=O	62
+CC(C)(C)OC(=O)NC1CCS(=O)(=O)CC1Nc2cnc(C#N)c(Nc3cc(OC)cc(C)n3)c2	2645
+CC(C)(C)OC(=O)NC1CCCCC1Nc2cc3c(C(=O)NC3)c(n2)-c4cnn(C)c4	2798
+CC(C)(C)OC(=O)NC1C2(CC2)CN(C1)c3c(cc(c(F)c3OC)C(O)=O)F	6
+CC(C)(C)OC(=O)NC1CC(CCC1)Nc2nc(ncc2F)-c3cn(c4ncc(cc34)F)S(=O)(=O)c5ccc(cc5)C	4126
+c1cc(ccc1C)S(=O)(=O)n2cc(c3cc(cnc23)F)-c4nc(c(F)cn4)NC5CCCC(N)C5	12
+CC(C)(C)OC(=O)NC1CCC(CC1)COC	21
+CC(C)(C)OC(NC1CCC(CC1)CNc2ccccc2)=O	291
+CC(C)(C)OC(=O)NC1CCC(CC1)C=O	24
+CC(C)(C)OC(=O)NC1CCC(CC1)CO	88
+CC(C)(C)OC(NC1CCC(CC1)NC(=O)c2cc(c(cc2)F)F)=O	14
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC#N	143
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC(=O)N	83
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC(=O)O	3
+c1cc(ccc1CN2CC3(CCC2)CCCCC3N)F	12
+C1c2cc(NC3CCCCC3N)nc(-c4cn(C)nc4)c2C(N1)=O	12
+CC(C)(C)OC(=O)NC1C(CCCC1)Nc2c(Cl)c3CNC(=O)c3c(-c4cnn(C)c4)n2	395
+c1cccc(-c2nc(c3c(n2)cc(C)cc3)N4CC(N)CC4)c1O	12
+C1CC(CCN1CCSc2cnc3c(cc(cc3)OC)c2)N	12
+C1CN(CCC1N)c2ccc(C#N)cn2	12
+CC(C)(C)OC(=O)NC1CCN(CC1)c2ncc(cc2)C#N	43
+O=S1(=O)CCC(N)C(Nc2cc(c(nc2)C#N)Nc3cc(OC)cc(C)n3)C1	12
+CC(C)CC(N1CCC(N)C1)C(Nc2cc(c(cc2)-c3ocnc3)OC)=O	12
+CC(C)(C)OC(=O)NC1C2(CC2)CN(c3c(c(c(C(OCC)=O)cc3F)F)OC)C1	34
+CC(C)(C)OC(=O)NC1Cc2cc(ccc2C1)C#N	160
+NCC(C(Oc1c2nc(-c3n4ccccc4nn3)ccc2ccc1)CC)CC	12
+CC(C)(C)OC(NCC(C)(C)CNS(=O)(=O)c1cccc2c1ccnc2)=O	71
+CC(C)(C)OC(=O)NCC(C)c1c([nH]c2ccc(C(C)(C)C(=O)O)cc12)-c3cc(C)cc(C)c3	3
+c1cc(ccc1COC(CN)=O)Nc2cc(-c3c(ccc(Cl)c3)OCC)nc(N)n2	689
+C1CC(CCC1)c2c3-c4ccccc4OCC(Cn3c5cc(C(OC)=O)ccc25)N(C)C(CCN)=O	12
+CC(C)(C)OC(NCCC(NC(OC(C)(C)C)=O)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(NCCC1CNCC1)=O	25
+CC(C)(C)OC(=O)NCCCCCC(C)O	684
+CC(C)(C)OC(=O)NCCCCCC=O	24
+CC(C)(C)OC(=O)NCc1ccc(cc1)-n2c3ccccc3c(Cl)c2C#N	1194
+CC(C)NC(=O)Cc1ccc(cc1)CN	12
+CC(C)(C)OC(=O)NCc1ccc(cc1)CC(=O)NC(C)C	9
+CC(C)(C)OC(NCc1ccc(cc1)CNCc2ccc(cc2)F)=O	42
+C1CCCCN1Cc2ccc(cn2)CN	12
+CC(C)(C)OC(=O)NCc1cnc(cc1)CCl	515
+CC(C)(C)OC(NN(C1CCCC1)c2nc(ncc2Br)C#N)=O	738
+CC(C)(C)OC(=O)Nc1ccc(nc1COC(=O)C)Cl	174
+O(C)c1ncc(N)c(I)c1	473
+c1cc(ccc1C(c2ccccc2N)=O)Cl	78
+CC(C)(C)OC(=O)Nc1c(nc(cc1)Cl)C=O	178
+CC(C)(C)OC(=O)Nc1ccc(c(CC#N)c1)Cl	1686
+CC(C)(C)OC(=O)Nc1cc(F)c(cc1C(NCC(=O)NCC2CCN(CC2)Cc3ccc(c([N+](=O)[O-])c3)O)=O)F	48
+C1CN(CCC1CNC(CNC(=O)c2c(N)cc(c(c2)F)F)=O)Cc3cc(c(cc3)O)N	78
+CC(C)(C)OC(=O)Nc1cc(F)c(cc1C(NCC(=O)NCC2CCN(CC2)Cc3cc(c(cc3)O)N)=O)F	0
+CC(C)(C)OC(N(c1ccc(C)c(c1)[N+](=O)[O-])C)=O	2812
+O=S(=O)(N1c2c(CCC1)ncc(N)c2)c3cc(ccc3)C	473
+CC(C)(C)OC(=O)Nc1ccc2c(c1[N+](=O)[O-])ccc(c2)Br	77
+CC(C)(C)OC(Nc1c(cc(cc1)Oc2c(c(ncc2)NC)[N+]([O-])=O)F)=O	242
+CC(C)(C)OC(=O)Nc1ccc(c(CC(=O)O)c1)Cl	459
+CC(C)(C)OC(=O)Nc1ccc(c(c1)CC(OCC)=O)Cl	939
+CC(C)(C)OC(=O)Nc1cc(COS(=O)(=O)C)c(Cl)cc1	7
+c1ncncc1-c2c([nH]c3ncc(Cl)cc23)-c4ccc(cc4)N	78
+CC(C)(C)OC(=O)Nc1ccc(cc1)N2CC(CCCC)(CCCC)CS(=O)(=O)c3c2ccc(c3)OCC(=O)O	3
+CC(C)(C)OC(=O)Nc1ccc(cc1)N2CC(CCCC)(CCCC)CS(=O)(=O)c3cc(ccc23)OCC(OCC)=O	52
+CC(C)(C)OC(Nc1ccc(cc1)Oc2cc(-n3cncn3)ncn2)=O	185
+CC(C)(C)OC(=O)Nc1c(cc(cn1)-c2ccccc2)C=O	1031
+CC(C)(C)OC(=O)Nc1c(nc(cc1)Cl)CO	59
+CC(C)(C)OC(N(CC=CCl)c1c(Br)c2c(cc(cc2)C#N)cc1)=O	4131
+CC(C)(C)OC(=O)Nc1c(cccc1)C(=O)c2ccc(cc2)Cl	705
+n1c(ccc(CN2CCC(O)C2)c1)N	451
+c1cc(ccc1F)NC(C2(CC2)C(=O)Nc3c(F)cc(Oc4cc(ncc4)N)c(F)c3)=O	451
+c1(c(C(=O)c2ccccn2)sc(N)n1)-c3occc3	1398
+CC(C)(C)OC(=O)NCC(C)(C)CN	37
+CC(C)(C)OC(NCCNC(C(C)C)=O)=O	37
+CC(C)(C)OC(=O)N(C(C)C)Cc1ccc(cc1)C(OC)=O	23
+CC(C)(C)OC(NC1(CCC(C1(C)C)Nc2c3n(ncc2C(=O)N)cc(c3)C(OCC)=O)C)=O	37
+CC(C)(C)OC(N(CC1C(C1)C(OCC)=O)C)=O	23
+CC(C)(C)OC(=O)n1ncc2cc(N(C)c3ccnc(n3)Cl)ccc12	868
+CC(C)(C)OC(=O)NCC(C)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)OCC)-c3cc(C)cc(C)c3	37
+CC(C)(C)OC(N1C(CN(CC1)c2nc(c(cc2)[N+]([O-])=O)C)C)=O	23
+CC(C)(C)OC(=O)n1c(nc2ccccc12)-c3c(ccc(Br)c3)Cl	1399
+FC(F)(F)c1cc2N(CCCC(=O)c2cc1C)C(OC(C)(C)C)=O	603
+CC(C)(C)OC(N(CCNCC)CC)=O	23
+CC(C)(C)OC(=O)NC1C(NCCCC1)=O	1245
+CC(C)(C)OC(N1Cc2c(nc3c(cc(C#N)cc3)c2Cl)CC1)=O	23
+CC(C)(C)OC(N(Cc1cc(cc(c1O)F)[N+](=O)[O-])C)=O	2136
+CC(C)(C)OC(=O)N(CCOc1c(cccc1)OCC)C(C)Cc2cc3c(c(C(=O)N)c2)N(CCCO)CC3	23
+CC(C)(C)OC(NCCSSCCN)=O	37
+CC(C)(C)OC(Nc1cc(ccc1C)C#N)=O	150
+CC(C)(C)OC(=O)Nc1ccc(O)cc1F	150
+CC(C)(C)OC(=O)Nc1cc([N+]([O-])=O)c(C)cc1	150
+CC(C)(C)OC(N(CCO)CC(O)c1cc(C)c([N+](=O)[O-])cc1)=O	23
+CC(C)(C)OC(=O)n1ccc2c1cc(cc2)C=O	389
+CC(C)(C)OC(=O)N(CC(c1ccc(nc1)-n2c(ccc2C)C)O)CC3CCc4c(ccc(I)c4)O3	23
+CC(C)(C)OC(=O)NC=1COCC(c2cccc(Br)c2)(N=1)C	2137
+CC(C)(C)OC(=O)N(C1CCC(c2c3ncccc3[nH]c2)=CC1)C	23
+CC(C)(C)OC(N(Cc1cc2c([nH]c(c2)C(=O)OC)nc1)Cc3cccc(c3)[N+]([O-])=O)=O	23
+CC(C)(C)OC(N1CCc2[nH]c3c(cc(C)cc3c2C1)C)=O	23
+CC(C)(C)OC(N(Cc1c(C)c(N)ccc1)CC)=O	23
+CC(C)(C)OC(N1CC2CC(=O)Nc3cc(Br)ccc3N2CC1)=O	23
+CC(C)(C)OC(NCCc1c2ccccc2[nH]c1)=O	37
+CC(C)(C)OC(=O)NC1Cc2cc(ccc2C1)Br	37
+CC(C)(C)OC(=O)n1c2ccc(C)cc2cc1C#N	389
+CC(C)(C)OC(=O)N(Cc1cc([N+]([O-])=O)c(cc1)OC)C	23
+CC(C)(C)OC(=O)NCCC1CN(CC1)Cc2ccccc2	37
+CC(C)(C)OC(N(C1C(c2ccc(c(Cl)c2)Cl)CN(Cc3ccccc3)C1)C)=O	23
+CC(C)(C)OC(NC1CCC2CN(CC12)Cc3ccccc3)=O	37
+CC(C)(C)OC(NCC1(c2ccccc2)C(COCc3ccccc3)C1)=O	37
+CC(C)(C)OC(NC(C(=O)O)C(C)(C)SCc1ccccc1)=O	403
+CC(C)(C)OC(NCc1c(-c2ccc(cc2)C)c3cc(ccc3nc1CC(C)C)O)=O	2751
+CC(C)(C)OC(=O)NCc1ccc(cc1)CC(=O)O	37
+CC(C)(C)OC(=O)N(CCc1ccc(cc1)O)Cc2ccccc2	23
+CC(C)(C)OC(NCc1ccc(cc1)CNC(N2CCN(CC2)C(=O)CNC(OCc3ccccc3)=O)=O)=O	37
+CC(C)(C)OC(NC(C)(C)COc1ccc(cc1)C#N)=O	37
+CC(C)(C)OC(Nc1ncc(cc1)Br)=O	718
+CC(C)(C)OC(=O)N(CCc1ncccc1)Cc2cc(ccc2)CCOC3OCCCC3	23
+CC(C)(C)OC(=O)N1CCC(CC1c2ccccc2OC)O	23
+CC(C)(C)OC(=O)N(C1CCC(C(=O)O)C1)Cc2ccc(cc2)-c3ccccc3	23
+CC(C)(C)OC(=O)N1CCCC(c2ccccc2)C1C(=O)O	663
+CC(C)(C)OC(N1C(CCC(O)C1)C)=O	1688
+CC(C)(C)OC(=O)NC(C)Cn1c2c(ccc3OCC(Oc23)CO)cn1	1688
+CC(C)(C)OC(=O)NC12C3CC(CC(C3)C1)(COCc4ccccc4)C2	37
+CC(C)(C)OC(NC(C)(C)CNc1c2c(ccc(c2)OCc3ccccc3)ncc1[N+](=O)[O-])=O	37
+CC(C)(C)OC(=O)N1Cc2ccc(cc2OCC1)OCc3ccccc3	23
+CC(C)(C)OC(=O)Nc1ncc(cc1)C	718
+CC(C)(C)Cc1nc(c(c(c1C#N)-c2ccc(cc2)C)C(O)=O)C	153
+CC(C)(C)OC(=O)c1ccc(cc1)NCCNS(=O)(=O)c2ncn(C)c2	4146
+CC(C)(C)OC(=O)c1ccc(cc1)NCCN(S(=O)(=O)c2ncn(C)c2)Cc3ccccc3	692
+c1cc(ccc1C(=O)C)Oc2cc(-c3ccc(-c4nccs4)[nH]3)cc(c2)OC(COC)C	2817
+CC(C)(C)OC(=O)n1c2c(cc1C(OC)=O)cc(cc2[N+]([O-])=O)COC(=O)C	283
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(OC)=O)CN3C(=O)c4ccccc4C3=O)[N+]([O-])=O	1930
+CC(C)(C)OC(n1c2ccccc2nc1-c3c(Cl)ccc(N4CC(CCC4)C(=O)OCC)c3)=O	79
+CC(C)(C)OC(n1ccc2ccc(cc12)CO)=O	41
+CC(C)(C)OC(=O)n1ncc2c1ccc(c2)N(C)c3nc(-c4cc(ccc4)OCC(=O)NC(C)C)ncc3	261
+CC(C)(C)OC(C(C)(C)Oc1cccc(CC(O)=O)c1)=O	2819
+c1ccccc1CCC(CSC(=O)C)C(=O)NC(C(=O)O)CC(C)C	32
+CC(C)(C)OC(C(CC(C)C)NC(=O)C(CCc1ccccc1)CSC(=O)C)=O	188
+c1cc(ccc1C(C(=O)O)C)N2C(c3c(C2)ccc(Cl)c3)=O	32
+CC(C)(C)OC(=O)C(c1ccc(cc1)N)C	0
+CC(C)(C)OC(C1COC(=O)N1c2nc(NC(C)c3sc(nc3)-c4ccc(cc4)Cl)ncc2)C	96
+CC(C)(C)OC(=O)C1N(C(CNC(Nc2cc(C(C)C(=O)OCc3ccccc3)ccc2)=O)=O)C(CC1)c4ccccc4	1631
+c1cc(ccc1-c2sc(cn2)C(Nc3nc(N4C(COC4=O)C(O)C)ccn3)C)Cl	1041
+CC(C)(C)OC(C1CCC(c2ccccc2)N1C(=O)CN)=O	84
+CC(C)(C)OC(=O)N1CC(N)CC1C(OC(C)(C)C)=O	18
+C1C(C(=O)O)N(c2ccc(C)c(c2C)COc3cccc4ccc(C)nc34)CC1	32
+CC(C)(C)OC(N1C(C(N=[N+]=[N-])CC1)C(=O)O)=O	32
+O=S(=O)(NC(C=O)CC(O)=O)c1c(OCCc2cccc3ccccc23)cc(NC(=O)C)cc1	32
+CC(C)(C)OC(CCNS(=O)(=O)c1cc2c(ncc(Cl)c2cc1)N=C(N)N)=O	4156
+CC(C)(C)OC(=O)CCSCc1cc(ccc1)C(Nc2ccc(cc2C(Nc3nn(cc3)-c4cc(c(cc4)C)C)=O)Cl)=O	50
+C(=O)(O)CN1C(=O)N(CC1)c2ncccc2	32
+CC(C)(C)OC(CNC(C=1C(C(C)(C)c2c(F)c(ccc2C=1O)OCC(C)C)=O)=O)=O	8
+CC1(C)c2c(F)c(ccc2C(=C(C(=O)NCC(=O)O)C1=O)O)OCC(C)C	32
+CC(C)(C)OC(CN(Cc1c(cccc1)C)S(=O)(=O)c2cc3c(cc2)c(cnc3Cl)Cl)=O	1387
+CC(C)(C)OC(Cn1c2c(nc1CCC)cc(NS(=O)(=O)c3ccc(cc3)F)cc2)=O	4132
+CC(C)(C)OC(COCCOc1cc2c(-c3ccc(cc3)C)c(CN)c(CC(C)C)nc2cc1)=O	388
+c1c(OCC(=O)O)c(cc(C=CC(OC)=O)c1)OC	32
+CC(C)(C)OC(COc1ccc(CN(S(=O)(=O)c2ccc(cc2)F)C)cc1-c3ccc(c(S(=O)(=O)C)c3)F)=O	92
+CC(C)(C)OC(COc1cccc2C(CCCCc12)N)=O	474
+c1cc(ccc1S(=O)(=O)NC2CCCCc3c(OCC(=O)O)cccc23)-c4cccc(c4)C(C)C	32
+CC(C)(C)OC(COc1c2CCCCC(NS(=O)(=O)c3ccc(cc3)-c4cccc(c4)C(C)C)c2ccc1)=O	134
+CC(C)(C)OC(COc1c(cc(CNC)cc1)-c2cc(c(F)cc2)S(=O)(=O)C)=O	42
+c1cc(ccc1S(=O)(=O)N(Cc2cc(-c3ccc(c(S(=O)(=O)C)c3)F)c(OCC(=O)O)cc2)C)F	32
+CC(C)(C)OC(COc1c2c(ccc1)C(NS(=O)(=O)c3ccc(cc3)I)CCCC2)=O	71
+c1ccccc1COc2cc(c(CC(=O)O)cc2)C#N	32
+CC(C)(C)OC(Cn1c2ccc(cc2nc1CCC)N(CCCc3ccccc3)S(=O)(=O)c4ccc(cc4)F)=O	1233
+C1CCCCC1c2c3c(cc(cc3)C(OC)=O)n(CC(O)=O)c2Br	32
+c1cc(ccc1S(=O)(=O)N(c2cc3c(cc2)n(CC(=O)O)c(CCC)n3)CCCc4ccccc4)F	32
+CC(C)(C)OC(=O)N(C(C)C(Nc1nc(C#Cc2ccccc2)c(NC(C3CCOCC3)=O)cc1)=O)C	142
+c1ccccc1C(CCN2c3c(N(c4ccccc4F)S2(=O)=O)cccc3)NC	2
+CC(C)(C)OC(=O)N(CC1(c2ccccc2)C(CO)C1)C	118
+CC(C)(C)OC(N(C1C(CNC1)c2ccc(Cl)c(Cl)c2)C)=O	25
+CC(C)(C)OC(N(C1CCNCC1)CCP(OCC)(OCC)=O)=O	25
+CC(C)(C)OC(N(C1CCN(C1)c2c3c4cc(ncc4n(c3ncc2Cl)COCC[Si](C)(C)C)C#N)CC)=O	395
+CC(C)(C)OC(N1c2ccc3cc(C#N)ccc3c2C(CCl)C1)=O	4080
+CC(C)(C)OC(N(CCN(C)Cc1c2cc(Oc3ccc(cc3)N)ccc2n(C4OCCCC4)n1)C)=O	0
+CC(C)(C)OC(N(CCN(C(=O)Oc1ccc(cc1)OC)CC)CC)=O	66
+CC(C)(C)OC(=O)N1CC(c2ccc([N+]([O-])=O)c(C)c2)OCC1	2774
+CC(C)(C)OC(N(CCOCCNc1c2c(cccc2)ncc1N)C)=O	13
+CC(C)(C)OC(N(Cc1cc2c([nH]c(c2)C(=O)OC)nc1)Cc3cc(N)ccc3)=O	0
+c1cc(ccc1N)Oc2ccc(cc2)CCNCc3ccccc3	2
+CC(C)(C)OC(N(Cc1ccccc1)CCc2ccc(cc2)Oc3ccc(cc3)NC(=O)c4ccccc4)=O	50
+CC(C)(C)OC(N(Cc1ccccc1)CCc2ccc(cc2)Oc3ccc(cc3)N)=O	0
+c1ccccc1CN(Cc2ccccc2)c3ncnc(Nc4c(ccc(N(C)C(=O)OC(C)(C)C)c4)C)c3[N+]([O-])=O	73
+CC(C)(C)OC(N(c1cc(c(cc1)C)N)C)=O	0
+CC(C)(C)OC(=O)Nc1nccc(Oc2c(cc(c(F)c2)NC(C3(CC3)C(=O)Nc4ccc(cc4)F)=O)F)c1	4162
+c1cc(ccc1)C2C(NCCC2)C(Nc3cc4c(cc3)n[nH]c4)=O	255
+O=S(=O)(CC)c1ccc(CNC(=O)c2cnc3C(NCc3c2)C(C)C)nc1	2
+CC(C)(C)OC(N1CCC(C1C(=O)NC(Cc2ccc3ccccc3c2)C(=O)OC)N=[N+]=[N-])=O	188
+C1(NCCCC1)C(NCCCCCCCC)=O	255
+CC(C)(C)OC(N1CC(CC1C(=O)Nc2ccc(cc2)N3C(=O)COCC3)N=[N+]=[N-])=O	298
+CC(C)(C)OC(N1C(COC1(C)C)CC(CO)C(C)C)=O	118
+CC(C)(C)OC(=O)N1C(C)(C)OCC1CC(C(O)c2ccc3c(c(cn3C)CCCOC)c2)C(C)C	1482
+CC(C)(C)OC(N1C(CN(c2nccnc2OCCO)CC1)C)=O	799
+CC(C)(C)OC(N1C(COc2cc(cnc2)CCc3cc(CO)ccc3)CC1)=O	2829
+CC(C)(C)OC(=O)N1C(CCC(C1)Oc2nccc(I)c2Cl)C	430
+CC(C)(C)OC(N1C(CN(CC1)c2ccc(N)c(n2)C)C)=O	13
+CC(C)(C)OC(N1C(C)(C)OCC1CC(C=O)C(C)C)=O	24
+CC(C)(C)OC(N1C(COc2cc(cnc2)CCc3cccc(CNS(=O)(=O)C)c3)CC1)=O	111
+CC(C)(C)OC(N1C(COc2cc(cnc2)CCc3cccc(c3)CN=[N+]=[N-])CC1)=O	1298
+CC(C)(C)OC(N1C(COc2cc(cnc2)CCc3cc(CCl)ccc3)CC1)=O	438
+CC(C)(C)OC(N1C(COc2cc(CCc3cc(ccc3)CN)cnc2)CC1)=O	18
+c1(cc(nc(-n2ccnc2)n1)C3NCCC3C(=O)NC)C	2
+CC(C)(C)OC(N1C(c2ccc(c(c2)F)C(O)=O)CCC1)=O	1
+CC(C)(C)OC(=O)N1CCCC1c2ccc(c(c2)F)-c3nc4c(cccc4C(N)=O)[nH]3	1127
+CC(C)(C)OC(N1C2CC(CC1CC2)c3ccc(cc3)N4CCN(CC4)S(=O)(=O)C)=O	191
+CC(C)(C)OC(N1C(C(N2C(C#N)CCC2)=O)C3CC1C(OCC(N)=O)C3)=O	83
+c1cc(ccc1C2CC3CCC(C2)N3)N4CCN(CC4)S(=O)(=O)C	2
+CC(C)(C)OC(=O)N1C2CCC1CC(C2)C#N	881
+CC(C)(C)OC(N1CCN(Cc2c(ccc(OS(=O)(=O)C)c2)Cl)C(C1)=O)=O	806
+CC(C)(C)OC(N1CCC(C(C1)C(OC)=O)CCC(c2c(F)cnc3ccc(OC)cc23)=O)=O	167
+CC(C)(C)OC(N1CC(CO)(Cc2ccccc2F)CCC1)=O	95
+CC(C)(C)OC(=O)N1CC(C1)n2c(ccn2)-c3c(ccc(c3)Cl)O	2008
+CC(C)(C)OC(N1CC(C1)OCC2CCN(CC2)c3ncc(cn3)CC)=O	967
+CC(C)(C)OC(N1CC(C1)Oc2cc3c(OCC4=NNC(=O)C(C)N34)cc2C(C)C)=O	1382
+CC(C)(C)OC(N1CC(C1)Oc2c(C(C)=C)cc3c(N4C(C)C(=O)NN=C4CO3)c2)=O	4166
+CC(C)(C)OC(N1CC(C1)Oc2cc3c(cc2)OCC=4N3C(C)C(=O)NN=4)=O	2833
+CC(C)(C)OC(N1CC(C1)Oc2cc3c(OCC(=S)N3C(C)C(OCC)=O)cc2)=O	199
+CC(C)(C)OC(N1CCC(Nc2nc3c(sc4ccccc34)c(N(C)C)n2)C1)=O	798
+CC(C)(C)OC(N1C(C(Nc2ccc(cc2)N3C(=O)COCC3)=O)CC(OS(=O)(=O)C)C1)=O	7
+CC(C)(C)OC(N1CC(n2nc(-c3ccc(cc3)Oc4cccc(F)c4)c5c(N)ncnc25)CCC1)=O	918
+CC(C)(C)OC(N1CCCC(Cc2c(F)cccc2)(C1)COC)=O	76
+CC(C)(C)OC(N1CCCC(Nc2nc3ccc(cc3s2)Oc4ccnc(Cl)c4)C1)=O	2032
+CC(C)(C)OC(=O)C1N(CC(OS(=O)(=O)C)C1)C(=O)OC(C)(C)C	7
+c1cc(ccc1C2(CCNC2)O)Cl	2
+FC1(F)CCC(CC1)OC(Nc2ccc(cc2)C3CCNC3)=O	2
+c1cc(ccc1-c2nn(C3CNCCC3)c4ncnc(N)c24)Oc5cccc(F)c5	2
+CC(C)(C)OC(N1CC2(C1)CC(C2)Nc3c(cnc(-c4cccc(c4)-c5cn(nc5)C)n3)-c6cnn(C)c6)=O	261
+CC(C)(C)OC(N1CC2(CC(C2)Nc3c(Br)cnc(Cl)n3)C1)=O	40
+CC(C)(C)OC(N1CC2(C1)CC(C2)Nc3nc(ncc3-c4cn(C)nc4)Cl)=O	2420
+FC(F)(F)c1c(ncc(c1)-c2nc(N3CC4CC3C4)nc(N5CC6NCC5C6)c2)N	2
+CC(C)(C)OC(=O)N1CC2CN(CC(C1)O2)CCN(CCOc3ccc(cc3)C#N)C(=O)N(C)C	61
+CC(C)(C)OC(=O)N1CCC(CC1)c2c(C)cccc2F	191
+n1cc(cnc1N2CCC(CC2)C3(Cc4cc(ccc4O3)C=5CCNCC=5)C)C6CC6	366
+CC(C)(C)OC(N1CC(c2ccc(cc2)Cl)(CC1)O)=O	251
+c1(C(CCC2C(CNCC2)C(OC)=O)=O)c(cnc3ccc(OC)cc13)F	2
+CC(C)(C)OC(N1C(c2cc(nc(-n3ccnc3)n2)C)C(C(=O)NC)CC1)=O	271
+[N-]=[N+]=NC1CCNC1C(NC(Cc2cc3c(cccc3)cc2)C(=O)OC)=O	255
+CC(C)(C)OC(=O)N1C(C(O)CC1)CO	21
+CC(C)(C)OC(=O)N1CCC(CC1)(C)CO	95
+CC(C)(C)OC(=O)N1CCC(CC1)(C)CCN	51
+FC(F)(F)CNCC1(CCN(CC1)C(=O)OC(C)(C)C)COCc2ccccc2	110
+CC(C)(C)OC(=O)N1CCC(CC1)(Cn2c3c(nc2COCC)cnc4ccccc34)O	546
+CC(C)(C)OC(N1CCC(CC1)(O)CNc2c(N)cnc3c2cccc3)=O	13
+CC(C)(C)n1nc(cc1NC(C(C)NC(OCc2ccccc2)=O)=O)C3(CCNCC3)c4ccccc4	2
+FC(F)(F)c1ccc2CCC(N3CCN(CC3C)C4(CCN(CC4)C(OC(C)(C)C)=O)C#N)c2c1	735
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(ccc2Cl)[N+]([O-])=O)=O	231
+CC(C)(C)OC(=O)N1CCC(CC1)(O)c2c(F)cccc2C	251
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3c(ccc(c3)[N+](=O)[O-])[nH]c2	888
+CC(C)(C)OC(N1CCC(CC1)(C)C(OC)=O)=O	1389
+C1CC(CCN1)C(c2ccccc2)OC	2
+CC(C)(C)OC(=O)N1CCC(CC1)C(O)c2ccccc2	74
+CC(C)(C)OC(=O)N1CCC(CC1)CCOc2cc(F)cc(Nc3ccc(I)cc3F)c2[N+](=O)[O-]	57
+CC(C)(C)OC(N1CCC(CC1)CN2CCC(CC2)CNC(C3=Cc4c(C)cccc4N(C3=O)C(C)C)=O)=O	183
+C1CC(CCN1)COc2c3ccccc3nc(c2)C	2
+CC(C)(C)OC(N1CCC(CC1)N2C(COC3CCCCC23)=O)=O	467
+FC(F)(F)c1nnc(cc1)NC2CCN(CC2)C(OC(C)(C)C)=O	232
+CC(C)(C)OC(=O)N1CCC(CC1)Nc2nc(nc3ccccc23)Cl	40
+C1CC(CCN1)N2C(=O)COC3C2CCCC3	2
+CC(C)(C)OC(N1CCC(CC1)NC2CCCCC2O)=O	118
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(ccc2SCCI)[N+]([O-])=O)=O	343
+CC(C)(C)OC(N1CCC(CC1)Nc2ccccc2CN)=O	45
+CC(C)(C)OC(N1CCC(CC1)Nc2ccccc2CN3C(c4c(cccc4)C3=O)=O)=O	2397
+C1CNCCC1OCCCCCOC	2
+C1CNCCC1Oc2cc3n(-c4cc(OC(C)c5ccccc5Cl)c(C(OC)=O)s4)cnc3cc2	2
+FC(F)(F)Oc1ccc(cc1)OC2CCNCC2	2
+C1CC(CCN1)Oc2ncc(-c3ccc(cc3)F)cc2	2
+C1CNCCC1c2nc(cs2)C#Cc3c4c(ccc3)cccc4	2
+CC(C)(C)OC(N1CCC(CC1)c2scc(n2)C#C[Si](C)(C)C)=O	4182
+CC(C)(C)OC(N1CCC(CC1)n2ncc(Nc3ncc(C(F)(F)F)c(n3)CCc4c(C(C(=O)N)C)cccc4)c2)=O	801
+C1CC(CCN1)n2cc(cn2)Nc3nc(CCc4ccccc4C(C(=O)N)C)c(Cl)cn3	2
+FC(F)(F)c1cnc(nc1CCc2c(C(C(=O)N)C)cccc2)Nc3cnn(c3)C4CCNCC4	2
+CC(C)(C)OC(=O)N1CCC(CC1C(=O)OC2CCCC2)NCc3ccccc3	87
+FC(F)(F)C(=O)N(C1CC(NCC1)Cc2ccccc2)Cc3c4c(cccc4)ncc3	2
+c1ccccc1COC(NC2C(NC(c3ccc(cc3)N4C=CC=CC4=O)=O)CN(C)CC2)=O	352
+CC(C)(C)OC(N1CCC(NC(=O)OCc2ccccc2)C(C1)NC(c3ccc(cc3)N4C=CC=CC4=O)=O)=O	93
+CN(C)c1nc(nc2c3c(cccc3)sc12)NC4CCNC4	2
+CC(C)(C)OC(N1CC(CC1)c2ccc(cc2)N=C=O)=O	861
+C1CC2(CCN1)OCC(F)(F)c3c2sc(Cl)c3	2
+CC(C)(C)OC(N1CCC2(CCC(CC2)OCCO)CC1)=O	237
+CC(C)(C)OC(N1CCC2(CCC(CC2)OCCOS(=O)(=O)C)CC1)=O	7
+CC(C)(C)OC(N1CCC2(CCC(CC2)OCCn3cncc3)CC1)=O	1193
+C1CNCCC12CCC(CC2)OCCn3cncc3	2
+C1C2c3c4N(C2CCN1)CCCc4cc(c3)-c5c(c(Cl)ccc5)Cl	2
+CC(C)(C)OC(N1CCC2C(c3c4N2CCCc4cc(-c5cccc(Cl)c5Cl)c3)C1)=O	11
+C1C(CCCN1)(COC)Cc2c(F)cccc2	2
+c1cc2c(sc(NC3CCCNC3)n2)cc1Oc4cc(-c5cnn(C)c5)ncc4	2
+CC(C)(C)OC(N1CCCC(Nc2nc3ccc(cc3s2)Oc4cc(ncc4)-c5cnn(C)c5)C1)=O	1396
+Clc1cccc(c1)-c2onc(C3NCCCC3)c2	2
+C1N(CC1C(=O)N2CCNCCC2)C(=O)c3cnc(C)cc3	2
+CC(C)(C)OC(N1CCN(C(C2CN(C2)C(c3ccc(nc3)C)=O)=O)CCC1)=O	1558
+C1CN(CCN1)C(=O)NCc2ccc(cc2)C#N	2
+CC(C)(C)OC(N1CCN(CC1)CCCCNC(c2cc3cnccc3[nH]2)=O)=O	81
+CC(C)(C)OC(N1CCN(CC1)CCCCN)=O	45
+C1CNCCN1c2[nH]c(-c3cc(ncc3)Cl)cc2C#N	2
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(cc2)C(=O)O)F)=O	1
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(N3C(=O)OC(CN=[N+]=[N-])C3)cc2)F)=O	133
+CC(C)(C)OC(N1CCN(CC1)c2c(ccc(NCc3ccccc3)c2CN)F)=O	107
+C1CC1c2c(ncc(c2)C3CC3)N4CCNCC4	2
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2F)C(=O)NC(C)C)=O	14
+CC(C)(C)OC(N1CCN(CC1)c2c(F)cc(cc2)N3C(=O)OC(C3)COS(=O)(=O)C)=O	7
+CC(C)(C)OC(N1CCN(CC1)c2c(c(ccc2F)NCc3ccccc3)C#N)=O	60
+CC(C)(C)OC(N1CCN(CC1)c2c(cccc2)-c3ccc(cc3)CO)=O	41
+CC(C)(C)OC(N1CCN(CC1)c2ccccc2-c3ccc(cc3)COS(=O)(=O)C)=O	7
+CC(C)NC(=O)c1cc(c(N2CCNCC2)cc1)F	2
+CC(C)(C)OC(N1CCN(CC1)c2c(cccc2)-c3ccc(cc3)Cn4ccc5cc(F)ccc45)=O	4194
+n1cc(cnc1N2CCNCC2)O	2
+CC(C)(C)OC(N1CCN(C(C2CNC2)=O)CCC1)=O	62
+CC(C)(C)OC(=O)N1CCc2c(c3c(c(cc(c3)C)C)n2C)C1	4197
+CC(C)(C)OC(N1CCc2ccc(c(c2CC1)N)O)=O	0
+CC(C)(C)OC(N1CCc2c(ccc(c2[N+]([O-])=O)O)CC1)=O	77
+CC(C)(C)OC(=O)N1CCc2ccc(Oc3ncc(C(NC)=O)cc3)cc2CC1	136
+CC(C)(C)OC(=O)N1CCc2c(CC1)ccc3oc(nc23)C	2794
+CC(C)(C)OC(=O)N1Cc2c(CC1)nc3ccc(C#N)cc3c2NCc4ccc(c(c4)Cl)OC	105
+CC(C)(C)OC(NC(CCS(=O)(=O)C)C=O)=O	378
+C1CN(CCN1c2nc(ccc2)C)C(C(N)CCCCNC(C=C)=O)=O	84
+C1CC(CCC1)CC(N)C(NC2C(O)CN(C(C)CC2)S(=O)(=O)c3ncccc3)=O	84
+CC(C)(C)OC(NC(C(NC1C(O)CN(CCC)C(CC1)C)=O)CC2CCCCC2)=O	61
+CC(C)(C)OC(NC(C(=O)NC1CCC(C)N(S(=O)(=O)c2ncccc2)CC1O)CC3CCCCC3)=O	2043
+CC(C)(C)OC(NC(C(=O)NC1CCC(C)NCC1O)CC2CCCCC2)=O	62
+CC(C)(C)OC(=O)NC(COC)C(=O)NCc1ccccc1	1541
+CC(C)(C)OC(NC(CC1CCCC1)C(=O)O)=O	1101
+C(C(=O)OC)(N)CCCc1[nH]cnc1	689
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C2OC2	2080
+C1CC(CCC1)CC(C(NC2C(O)CN(CCC)C(CC2)C)=O)N	84
+OC(C(C(=O)NCC)N)C	84
+CC(C)(C)OC(=O)NC(C)(C)C#N	143
+CC(C)(C)OC(NC(C)(C)C(N)=O)=O	1360
+CC(C)(C)OC(NC(C)(C)Cn1c(nc2cnc3ccc(OCc4ccccc4)cc3c12)COCC)=O	546
+CC(C)(C)OC(NC(C)(C)CNc1c(cnc2ccc(OCc3ccccc3)cc12)N)=O	13
+CC(C)(C)OC(NC(C)(C)COc1ccc(cc1)C=O)=O	1295
+c1ccccc1COc2ccc3c(c2)c4c(nc(COCC)n4CC(C)(C)N)cn3	12
+CC(C)(C)OC(=O)NC(C)C(=O)Nc1cc(Cl)cc(C#Cc2ccccc2)n1	142
+CC(C)(C)OC(NC(C)C(Nc1cccc(Cl)c1C(Nc2ccccc2)=O)=O)=O	33
+CC(C)(C)OC(NC(C)C=1N(C(c2c(cccc2N=1)Cl)=O)c3ccccc3)=O	2796
+CC(C)(C)OC(=O)NC(COc1c(cc(N)cc1)-c2n(C)ncc2)C	8
+CC(C)(C)OC(=O)NC(CC#N)c1ccc(cc1)-c2ccccc2	143
+CC(C)(C)OC(NC(CC1CCCC1)C(=O)N(C)OC)=O	164
+CC(C)(C)OC(=O)C(CCCO)NC(=O)OC(C)(C)C	21
+CC(C)(C)OC(=O)NCCC(CO)NC(OC(C)(C)C)=O	21
+CC(C)(C)OC(=O)NC(CNCc1cc(Cl)ccc1)CCS(=O)(=O)C	110
+CC(C)(C)OC(NC(CNC(=O)C(NC(OCc1ccccc1)=O)C(C)C)C(C)C)=O	9
+CC(C)(C)OC(=O)NC(CCNC(=O)OC(C)(C)C)CN	18
+c1ccccc1COC(NC(C(C)C)C(NCC(C(C)C)N)=O)=O	12
+C1CC(CCC1)CC(NC(=O)C(Cc2c[nH]cn2)N)C(O)CCC(C)C	84
+CC(C)(C)OC(=O)NC(Cc1cnccc1)C(=O)N	83
+CC(C)(C)OC(NC(Cc1cnccc1)CN2CCC(CC2)C(c3ccc(cc3)F)=O)=O	28
+c1cc(ccc1F)C(C2CCN(CC2)CC(Cc3cccnc3)N)=O	12
+CC(C)(C)OC(NC(CC(N)=O)c1ccc(cc1)-c2ccccc2)=O	83
+c1ccccc1C(C(NC2CCCC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C2)=O)N	84
+CC(C)(C)OC(NC1(CCC(Nc2c3cc(cn3ncc2C(=O)N)C(O)=O)C1(C)C)C)=O	6
+CC(C)(C)OC(NC1(CCC(Nc2c(C(=O)N)cnn3cc(cc23)C(NN)=O)C1(C)C)C)=O	1325
+CC(C)(C)OC(=O)NC1(CCN(CC1)C(OCC)=O)CCN	51
+CC(C)(C)OC(NC1(CCOCC1)CN)=O	51
+CC(C)(C)OC(NC1C(C)N(CCC1)c2nc(c(nc2)C(N)=O)Nc3ccc(cc3)C4CCN(CC4)C5CCCC5)=O	1198
+CC(C)(C)OC(=O)NC1C(CN(C1)Cc2ccccc2)O	2118
+CC(C)(C)OC(NC1C(C)N(CCC1)c2nc(c(nc2)C#N)Nc3ccc(cc3)C4CCN(CC4)C5CCCC5)=O	1410
+CC(C)(C)OC(NC1CCCCC1Nc2c3c(ccc(C)c3)nc(Cl)n2)=O	40
+CC(C)(C)OC(=O)NC1C(Nc2nc(c(C(OC)=O)c(c2)C#N)-c3cnn(C)c3)CCCC1	70
+CC(C)(C)OC(=O)NC1C(Nc2cnc(c(c2)Br)C#N)CS(=O)(=O)CC1	2849
+c12c(c(C3=CCC(CC3)NC)c[nH]1)nccc2	352
+C1CC(CCC1NC(c2cc(c(cc2)F)F)=O)N	12
+c1cc(ccc1)CN2CC3CCC(NC)C3C2	352
+CC(C)(C)OC(NC1C(CCCC1)Nc2nc(nc3ccc(C)cc23)NCc4ccc(cc4)OC)=O	798
+CC(C)(C)OC(NC1CCCNC1C)=O	62
+CC(C)(C)OC(NC1CN(c2n(c3c(N(C(=O)N(C3=O)CC(=O)c4ccccc4O)C)n2)CC=C(C)C)CCC1)=O	4116
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(NCCC3)ncc2[N+](=O)[O-])C1	4204
+CC(C)(C)OC(NC1C(N(c2nc(Cl)c(nc2)C#N)CCC1)C)=O	317
+C1(OC)CN(CCC1N)C	12
+CC(C)(C)OC(=O)NC1CN(C(CC(C)C)C(=O)Nc2cc(c(cc2)-c3ocnc3)OC)CC1	2150
+C[Si](C)(C)CCOCn1c2c(c(ccn2)N3CCC(NC(OC(C)(C)C)=O)C3)c4cc(ncc14)C#N	1635
+FC(F)(F)c1ccnc(COCC(=O)N2CC(NC(OC(C)(C)C)=O)CC2)c1	10
+CC(C)(C)OC(=O)NC1CCN(C1)c2nc(-c3c(cccc3)O)nc4c2ccc(c4)C	54
+CC(C)(C)OC(NC1CN(C1)c2cc3c(nc2)n(S(=O)(=O)c4ccc(cc4)C)cc3I)=O	276
+CC(C)(C)OC(NC1CN(C1)c2cc3c(c[nH]c3nc2)I)=O	1361
+CC(C)(C)OC(NC1CNCC1O[Si](C)(C)C(C)(C)C)=O	25
+CC(C)(C)OC(=O)NCC(c1nnc2cc(-c3ccnc(n3)Nc4n(C)ncc4)cc(F)n12)Cc5cnc(OC)cc5	757
+CC(C)(C)OC(NCC(C(NNc1nc(cc(c1)-c2nc(ncc2)Nc3n(C)ncc3)F)=O)Cc4cnc(OC)cc4)=O	355
+O=S(=O)(NCC(C)(C)CN)c1cccc2c1ccnc2	12
+CC(C)(C)OC(=O)NCC(C(Oc1cccc2ccc(nc12)-c3nnc4n3cccc4)CC)CC	1346
+CC(C)(C)OC(NCC1CN(c2cc3CC(N(CCC)c3c(c2)F)=O)C(=O)O1)=O	2151
+CC(C)(C)OC(NCC1CN(C(=O)O1)c2cc(F)c3c(CC(=O)N3C4CC4)c2)=O	2151
+CC(C)(C)OC(=O)NCC(OCc1ccc(cc1)Nc2cc(-c3c(ccc(Cl)c3)OCC)nc(N)n2)=O	1699
+CC(C)(C)OC(N(C)CC1(c2ccccc2)C(C1)COCc3ccccc3)=O	397
+CC(C)(C)OC(NCC1CCC(CC1)C(CCc2ccccc2)=O)=O	2851
+CC(C)(C)OC(NCC1CCC(CC1)C(=O)N(OC)C)=O	164
+CC(C)(C)OC(NCC1CCC(CC1)C(O)CCc2ccccc2)=O	100
+C1CC(CCC1CN)C(O)CCc2ccccc2	12
+CC(C)(C)OC(NCC1CCC(CC1)C(=O)O)=O	1317
+CC(C)(C)OC(=O)NCCN=[N+]=[N-]	310
+CC(C)(C)OC(NC(CN=[N+]=[N-])CCNC(OC(C)(C)C)=O)=O	133
+CC(C)(C)OC(=O)NCCC1(CCNCC1)O	25
+C1COCCN1C(NCCN)=O	12
+CC(C)(C)OC(=O)NCCN(Cc1cncn1-c2ccc(cc2)C#N)C	879
+C1CC(CCC1CC(NC2Cc3cccc(c3OB2O)C(O)=O)=O)NCCN	12
+FC(F)(F)C(=O)NCCNCCNC(OC(C)(C)C)=O	605
+CC(C)(C)OC(NCCOCCOCCNC(=O)COc1c(OC)cc(C=CC(=O)OC)cc1)=O	9
+CC(C)(C)OC(NCCOCCOCCNC(COc1ccc(C=CC(O)=O)cc1OC)=O)=O	127
+CC(C)(C)OC(NCCSSCCNC(c1cnccc1)=O)=O	56
+CC(C)(C)OC(NCCc1cn(C)c2c1cccc2)=O	144
+NCCc1cc(Cc2cccnc2)cc(CCC(OCC)=O)c1	12
+c1cc(ccc1F)Cc2cc(cc(CCC(OCC)=O)c2)CCN	12
+C(CN)c1c2ccccc2n(C)c1	12
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(cc2)OCC#N)c1-c3ccc(cc3)C)=O	489
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(OCC(=O)NC)cc2)c1-c3ccc(cc3)C)=O	9
+CC(C)(C)OC(NCc1c(c2c(ccc(OCc3[nH]nnn3)c2)nc1CC(C)C)-c4ccc(cc4)C)=O	420
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(OCC(=O)O)cc2)c1-c3ccc(cc3)C)=O	4
+CC(C)(C)OC(NCc1c(c2c(ccc(OCCCCC(=O)N)c2)nc1CC(C)C)-c3ccc(cc3)C)=O	83
+CC(C)(C)OC(NCc1c(c2c(ccc(OCCCCC(=O)O)c2)nc1CC(C)C)-c3ccc(cc3)C)=O	3
+O=S(=O)(N(Cc1ccc(cc1)F)Cc2ccc(cc2)CN)c3c(c(Cl)cc(Cl)c3)O	12
+CC(C)(C)OC(NCc1ccc(cc1)CNC(=O)N2CCN(CC2)C(=O)CN)=O	334
+CC(C)(C)OC(NCc1ccc(cc1)CN(S(=O)(=O)c2c(c(Cl)cc(Cl)c2)O)Cc3ccc(cc3)F)=O	92
+C1CCCC1N(N)c2c(Br)cnc(n2)C#N	2133
+CC(C)(C)OC(=O)NNC(=O)c1cc(nc(c1)N(S(=O)(=O)C)C)N(CCOC)CC2C(C)C2	2031
+CC(C)(C)OC(Nc1c(C)[n+](c(Cl)cc1)[O-])=O	103
+CC(C)(C)OC(Nc1c(cc(Oc2ccnc(NC)c2N)cc1)F)=O	13
+Nc1c(C)ccc(O)c1C	78
+FC1(F)CC(C1)c2onc(-c3cc(N)c(C)cc3)n2	78
+c1(cccc(N)c1)N2C(=O)NCC2	78
+CC(C)(C)OC(Nc1cc(ccc1C)C(N)=NO)=O	253
+c1cc(ccc1C(=O)OCC)-c2c(ccc(c2)N)C	78
+CC(C)(C)OC(Nc1ccc(c(C#Cc2ccccc2)n1)N)=O	943
+c1ccccc1S(=O)(=O)Nc2c(C#Cc3ccccc3)nc(N)cc2	451
+CC(C)(C)OC(Nc1ccc(NS(=O)(=O)c2ccccc2)c(C#Cc3ccccc3)n1)=O	322
+c1cc(ccc1C(Nc2cc(Nc3nc(c(Cl)cc3)-c4c5ccccc5n(S(=O)(=O)c6ccccc6)c4)ccc2)=O)N	78
+c1cc(ccc1N)Oc2cc(-n3cncn3)ncn2	78
+CC(C)(C)OC(Nc1cccc(Oc2cc(F)cc(Nc3c(F)cc(cc3)I)c2C(N)=O)c1)=O	216
+c1c(I)cc(c(Nc2cc(cc(Oc3cccc(N)c3)c2C(=O)N)F)c1)F	78
+c1ccccc1C#Cc2nc(N)ccc2NC(C3CCOCC3)=O	451
+CC(C)(C)OC(=O)Nc1ccc(cn1)-c2ccccc2	89
+CC(C)(C)OC(=O)c1ccc(cc1)NCCN	60
+C1CN(Cc2cncc(C(=O)OC)c12)c3cccc(C(=O)O)c3	153
+CC(C)(C)OC(=O)n1c(-c2cc(Oc3ccc(cc3)C(=O)C)cc(OC(COC)C)c2)ccc1-c4sccn4	472
+C1C(C(=O)OCC)CCCN1c2ccc(Cl)c(-c3nc4c([nH]3)cccc4)c2	4148
+CC(C)(C)OCc1c(c(on1)C(C)C)COC	1043
+CC(C)c1onc(CO)c1COc2ccc3c(ccn3Cc4cccc(C(=O)OC)c4)c2	1041
+CC(C)(C)OCc1noc(c1CO)C(C)C	88
+CCOC(c1c(n[nH]c1)CO)=O	1041
+CC(C)(C)OCc1c(c(C(C)C)on1)COc2ccc3c(ccn3Cc4cccc(C(=O)OC)c4)c2	1411
+CC(C)(C)OCc1noc(c1CCl)C(C)C	1703
+CC(C)(C)ON=C1C=C(c2ncn3c(c2)ccc3)Oc4ccc(C(O)=O)cc14	1
+CC(C)(C)ON=C1C=C(c2ncn3c(c2)ccc3)Oc4ccc(C(OC)=O)cc14	833
+FC(F)(F)c1cc2[nH]ncc2c(C(OC)=O)c1	3210
+CC(C)(C)Oc1ccc(C(O)CNC2CCCC2OCc3ccccc3)c4sc(nc14)OC(C)C	284
+c1cc(ccc1C(C(c2cccc(Cl)c2)CC=C)(C)N)Cl	499
+CC(C)(C)[Si](C)(C)OCc1ccc(C(C)(C)C)c(c1)[N+]([O-])=O	19
+CC(C)(C)[Si](C)(C)OCC(C)(C)CO	19
+CC(C)(C)[Si](C)(C)OCC(COC(C)C)O	19
+CC(C)(C)[Si](C)(C)OCC(O)CN(C)C	19
+CC(C)(C)[Si](C)(C)Oc1c(NC(=S)Nc2cccc(c2Cl)F)ccc(Cl)c1S(=O)(=O)N(C)C	154
+CC(C)(C)[Si](C)(C)Oc1c(c(Cl)ccc1NC(Nc2cccc(F)c2F)=S)S(=O)(=O)N(C)C	154
+CC(C)(C)[Si](C)(C)Oc1c(c(Cl)ccc1NC(Nc2c(cccc2)Cl)=S)S(=O)(=O)N(C)C	154
+CC(C)(C)[Si](C)(C)OCc1cc(Cl)ncc1	19
+CC(C)(C)[Si](C)(C)OC(COC(c1ccccc1CCC(=O)OC)C)CN2C(CCC2)Cc3cc(F)c(C)cc3	19
+CC(C)(C)[Si](C)(C)OCCNC=C(C(=O)OCC)C(c1c(c(cc(c1)I)F)F)=O	19
+CC(C)(C)[Si](C)(C)Oc1c(C=O)cccc1	154
+CC(C)(C)[Si](C)(C)OC(C)CN	19
+CC(C)(C)[Si](C)(C)OCCCC(O)c1cscc1	19
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)N	19
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(-c2cccc(C=O)c2)c(c1Cl)C	154
+CC(C)(C)[Si](C)(C)Oc1ccc2cc([nH]c2c1)C(=O)O	154
+CC(C)(C)[Si](C)(C)Oc1cccc2ccc(nc12)C	2858
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)C#N	154
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1OC)C2c3cc4OCOc4cc3C(C5C(=O)OCC25)N)OC	154
+CC(C)(C)[Si](C)(C)OCCCc1c[nH]c2ccccc12	19
+CC(C)(C)[Si](C)(C)OCc1c2cccc(C)c2c(OCOC)cc1	19
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)C(OCC)=O	4225
+CC(C)(C)[Si](C)(C)OCCC(Oc1ccccc1)C(O)=O	19
+CC(C)(C)[Si](C)(C)OCC(c1ccc(cc1)Br)C	19
+CC(C)(C)[Si](C)(C)OCCOCc1ccc(cc1)C(OC)=O	19
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)O	19
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2C(C(OCC)=O)N(C(=O)C2)C	154
+CC(C)(C)[Si](C)(C)OCCCNC(OCc1ccccc1)=O	19
+c1ccccc1COc2cncc(OCc3ccccc3)c2CO[Si](C)(C)C(C)(C)C	19
+CC(C)(C)[Si](C)(C)OC(C([N+]([O-])=O)C)c1cn2c(cc1)ncn2	19
+CC(C)(C)[Si](C)(C)OCc1ccc(N)nc1	19
+CC(C)(C)[Si](C)(C)OCCn1ncc2C(=O)CCCc12	19
+CC(C)(C)[Si](C)(C)OC(C(NC(Nc1cccc(C)c1)=O)C)c2ccc3ncnn3c2	282
+N(C(Nc1cccc(C)c1)=O)C(C)C(c2ccc3n(ncn3)c2)O	35
+CC(C)(C)[Si](C)(C)OC(C(N)C)c1cn2c(ncn2)cc1	157
+CC(C)(C)[Si](C)(C)OC(C)(C)C1COCc2n1c3c(cnc4ccccc34)n2	2860
+CC(C)(C1COCc2nc3c(c4ccccc4nc3)n12)O	35
+c1cc(ccc1)CN2C(C(OCC2C(O)C)C)=O	35
+CC(C)(C)[Si](C)(C)OC(C)CNc1ccc(c(C#N)c1)OC	250
+CC(C)(C)[Si](C)(C)OC(CNC(C)COc1ccc(cc1)CC(=O)OC)c2ccccc2	110
+c1cc(ccc1CC(=O)OC)OCC(C)NCC(c2ccccc2)O	35
+CC(C)(C)[Si](C)(C)OC(COC(c1c(cccc1)CC(C)(C)C(=O)OC)C)CN2C(CCC2)Cc3cc(F)c(C)cc3	1389
+CC(C)(Cc1c(C(C)OCC(CN2C(CCC2)Cc3cc(F)c(C)cc3)O)cccc1)C(=O)OC	35
+CC(C)(C)[Si](C)(C)OC(COC(C)c1c(cccc1)CC(C)C(=O)OC)CN2C(CCC2)Cc3cc(F)c(C)cc3	2544
+CC(C)(C)[Si](C)(C)OC(C=O)c1ccccc1	578
+CC(C)(C)[Si](C)(C)OC1CCc2c(-c3cnc(-c4ccc(c(C#N)c4)OC(C)C)s3)cccc12	57
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(-c3c4CCC(O)c4ccc3)s2	35
+CC(C)(C)[Si](C)(C)OC1CNC1	62
+CC(C)(C)[Si](C)(C)OC1CN(CC1)c2c(cc(N)cc2)F	0
+c1ccccc1SCC(Nc2c3ccc(nc3ccc2Cl)N4CC(O)CC4)=O	35
+CC(C)(C)[Si](C)(C)OC1CN(c2ccc3c(c(ccc3n2)Cl)NC(CSc4ccccc4)=O)CC1	4232
+CC(C)(C)[Si](C)(C)OCC(C)(C)COS(=O)(=O)C	7
+CC(C)(C)[Si](C)(C)OCC(C)(C)CC#N	300
+CC(C)(C)[Si](C)(C)OCC(Cn1ncc2cc(ccc12)C)C	1090
+CN(C)CC(CO)OCCCCCCCCC=CCC=CCCCCC	35
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(nc(SCc2c(c(F)ccc2)F)n1)Cl)COC(C)C	145
+C(C(C)Cn1ncc2c1ccc(C)c2)O	35
+CC(C)(C)[Si](C)(C)OCC(CN(C)C)OCCCCCCCCC=CCC=CCCCCC	967
+CC(C)(C)[Si](C)(C)OCC1C(COC(C)O1)CC=CCCCC(O)=O	3684
+CC(C)(C)[Si](C)(C)OCC1N(C(OC(C)(C)C)=O)CCC1Oc2cc(F)cc([N+](=O)[O-])c2	57
+CC(C)(C)[Si](C)(C)OCC1C(COC(C)O1)CC=CCCCC(=O)OC	325
+CC(C)(C)[Si](C)(C)OCC1C(CC=O)COC(O1)C	578
+CC(C)(C)[Si](C)(C)OCCC(c1nnc2cc(-c3ccnc(n3)Nc4n(C)ncc4)cc(F)n12)Oc5ccccc5	757
+CC(C)(CCO)CCN=[N+]=[N-]	35
+CC(C)(C)[Si](C)(C)OCCC(C)(C)CCOS(=O)(=O)C	7
+CC(C)(C)[Si](C)(C)OCCC(C)(C)CCN=[N+]=[N-]	133
+CC(C)(C)[Si](C)(C)OCCC(C(=O)NNc1cc(cc(F)n1)-c2nc(ncc2)Nc3n(C)ncc3)Oc4ccccc4	355
+c1ccccc1OC(c2nnc3cc(-c4ccnc(n4)Nc5n(C)ncc5)cc(F)n23)CCO	35
+CC(C)(C)[Si](C)(C)OCCCC(Oc1cc(ccc1C#N)Cl)c2ccsc2	20
+Clc1cc(OC(CCCO)c2ccsc2)c(cc1)C#N	35
+c1ccccc1COC(=O)N(CCCO)C	35
+C(O)CCN(C)c1c(F)cnc(Cl)n1	35
+N1(C(=O)N(c2c(c(C)c(Br)s2)C1=O)C)CCCO	35
+CC(C)(C)[Si](C)(C)OCCCN(C)C(=O)OCc1ccccc1	4239
+CC(C)(C)[Si](C)(C)OCCCN(C)c1nc(Cl)ncc1F	1347
+Cc1nc(N)nc(c1Cc2c(cc(cc2)OCCCO)OC)NC(CCOC(C)=O)CCC	35
+CC1(C)c2c(cc(Br)s2)C(=O)N1CCO	35
+C1CN(CCN1c2cnc(cc2)Nc3nc4n(C5CCCC5)c6c(nccc6c4cn3)F)CCO	35
+CC(C)(C)[Si](C)(C)OCCN1CCN(CC1)c2ccc(Cl)nc2	244
+CC(C)(C)[Si](C)(C)OCCN1c2c(cc(I)cc2F)C(=O)C(C(=O)OCC)=C1	2020
+CC(C)(C)[Si](C)(C)OCCOCc1ccc(cc1)CO	98
+c12c(cc(c(c1OC)OC)OC)nc(nc2O)N(Cc3cccc(c3)OCCO)C	35
+CC(C)(C)[Si](C)(C)OCCOc1cccc(CNC)c1	1172
+CC(C)(C)[Si](C)(C)OCCOc1cc(ccc1)C=NC	853
+CC(C)(C)[Si](C)(C)OCCOc1cc(CN(C)c2nc(c3c(OC)c(c(cc3n2)OC)OC)O)ccc1	549
+c1cc(ccc1CCO)-c2cc3c(CN(CC3)C(=O)COC(C)=O)cc2	35
+CC(C)(C)[Si](C)(C)OCCn1c2CCCC(O)c2cn1	4242
+CC(C)(C)[Si](C)(C)OCc1cc(OCOC)cc(C2CCCC2C(=O)c3ccc(cc3)OCOC)c1OCOC	586
+CC(C)(C)[Si](C)(C)OCc1c(cncc1O)O	321
+CC(C)(C)[Si](C)(C)OCc1c2cccc(C)c2c(c(c1)C=O)OCOC	151
+CCC(NCCc1cc(Cl)c(c(CO)c1)Cl)=O	35
+CC(C)(C)[Si](C)(C)OCc1cc(nc(Cl)c1)I	1463
+CC(C)(C)[Si](C)(C)OCc1c(OCOC)c(C2CCCC2C(N(C)OC)=O)cc(OCOC)c1	4243
+CC(C)(C)[Si](C)(C)OCc1cc(CCNC(=O)CC)cc(c1Cl)Cl	9
+CC(C)(C)[Si](C)(C)OCc1ccc(c(c1)N)C(C)(C)C	0
+CC(C)(C)[Si](C)(C)OCc1cnc(NC(=O)Oc2ccccc2)cc1	278
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)OC(=O)Oc2ccc(cc2)[N+]([O-])=O	644
+CC(C)(C)c1nn(c(CNC(=O)Nc2ncc(cc2)CO)c1)-c3cc(ccc3)Cl	35
+CC(C)(C)[Si](C)(C)OCc1ccc(nc1)NC(=O)NCc2cc(nn2-c3cc(ccc3)Cl)C(C)(C)C	238
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)NC(=O)Cn2ncc(c2)Oc3c4cc(c(OC)cc4ncn3)OC	142
+CC(C)(C)[Si](C)(C)Oc1ccccc1CO	41
+CC(C)(C)[Si](C)(C)Oc1c(S(=O)(=O)N(C)C)c(ccc1N=C=Nc2ccccc2Cl)Cl	4246
+c1(c2ccc(C)nc2c(cc1)O)Br	1710
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(-c2cccc(CO)c2)c(c1Cl)C	41
+CC(C)(C)[Si](C)(C)Oc1cccc(CN)c1	107
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)nc(Sc3oc(cc3)C=O)[nH]2	4248
+CC(C)(C)[Si](C)(C)Oc1ccc2c(nc(cn2)-c3ccc(cc3)N(C)C)c1	4249
+CC(C)(C)[Si](C)(C)Oc1ccc2n(C3OCCCC3)nc(c2c1)C=O	178
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(CO)nn2C3OCCCC3	398
+CC(C)(C)[Si](C)(C)Oc1ccc2nc([nH]c2c1)Sc3ccc(C4c5c(NC6=C4C(CCC6)=O)c([nH]c5)C(=O)OCC)o3	2503
+CC(C)(C)OC(=O)Cn1ccc2ccc(cc12)O	186
+c1cc(ccc1N(C)C)-c2cnc3c(cc(O)cc3)n2	186
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)[nH]c(CO)c2	629
+C1CCCC(n2c3ccc(O)cc3c(C=O)n2)O1	186
+C=12C(CCCC=1Nc3c([nH]cc3C2c4ccc(Sc5[nH]c6ccc(cc6n5)O)o4)C(=O)OCC)=O	186
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)CNC(c2cc(c(O)c(Cl)c2)C)=O	14
+CC(C)(C)[Si](C)(C)Oc1cccc2ccc(nc12)-c3nnc4ccc(cn34)C5CC5	940
+c1c2nnc(n2ccc1)-c3nc4c(cc3)cccc4O	1710
+C1CC1c2cn3c(nnc3cc2)-c4ccc5c(c(ccc5)O)n4	1710
+CC(C)(C)[Si](C)(C)Oc1c(COC(Oc2ccc(cc2)[N+](=O)[O-])=O)cccc1	405
+CC(C)(C)c1cc([N+]([O-])=O)ccc1N	106
+CC(C)(C)c1cc(C(=O)N2c3ccccc3SC2)cc(C#N)c1OC	448
+CC(C)(C)c1cc(cc(c1OC)C#N)C(=O)O	1
+CC(C)(C)c1c(N)cc(C#N)cc1	0
+CC(C)(C)c1c(cc(C#N)cc1)[N+]([O-])=O	274
+CC(C)(C)c1cc([N+](=O)[O-])cc(c1O)I	694
+CC(C)(C)c1c(cccc1)NC(=O)C	26
+CC(C)(C)c1c(NC(=O)C)ccc(c1)[N+]([O-])=O	77
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)NC(c2ccc(o2)-c3ccc(cc3)[N+](=O)[O-])=O	768
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)N	0
+CC(C)(C)c1c(c(cc(c1)C(=O)Cl)C#N)OC	82
+CC(C)(C)c1cccc(OCCCOc2ccc(cc2)C(C#CC)CC(=O)OC)c1	126
+CC(C)(C)c1cc(n(-c2nc(N(CCN(C)C)C)ncc2)n1)N	117
+CC(C)(C)c1nn(c(NC(Oc2ccccc2)=O)c1)-c3ccnc(N(CCN(C)C)C)n3	278
+CC1(C)CC(CC(C)(C)N1C)Oc2ccc(C(Nc3ccc(cc3)NC(Nc4n(nc(c4)C(C)(C)C)C)=O)=O)nc2	446
+CC(C)(C)c1cc(n(C)n1)NC(=O)Oc2ccccc2	278
+CC(C)(C)c1c(cc(CO)cc1)[N+]([O-])=O	49
+CC(C)(C)c1c(cc(C(=O)N)cc1)[N+]([O-])=O	169
+CC(C)(C)c1ccc(cc1)CN2C(N(C(=N2)CC3CC3c4ccc(cc4)Br)CC)=O	1712
+CC(C)(C)c1ccc(cc1)COc2ccc(cc2C(CC)=O)[N+](=O)[O-]	139
+CC(C)(C)c1ccc(cc1)CN2C(=O)C(C(NCC(=O)O)=O)C(N(C3CCCCC3)C2=O)=O	3
+CC(C)(C)c1ccc(cc1)COc2c(C(CC)=O)cc(NC(=O)Nc3cc(OC)ccc3)cc2	124
+CC(C)(C)c1ccc(cc1)COc2ccc(N)cc2C(CC)=O	0
+CC(C)(C)c1ccc(cc1)Cn2c(cc3c2ccc(OC)c3)COC(C)=O	204
+CC(C)(C)c1ccc(cc1)Cn2c(CO)cc3cc(ccc23)OC	194
+CC(C)(C)c1ccc(cc1)NCc2cc(c(cc2)NC(=O)OCC)N	0
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2nc(Cl)nc(c2Oc3c(cccc3)OC)Cl	570
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)[N+]([O-])=O	77
+CC(C)(C)c1cccc(OCCCOc2ccc(cc2)C(CC(O)=O)C#CC)c1	4
+CC(C)(C)c1c(ccc([N+]([O-])=O)c1)O	77
+CC(C)(C)c1n2c(c(-c3cc4c(cc3)ccc(-c5ccccc5)n4)n1)c(ncc2)N	522
+CC(C)(C)c1nc(-c2oc3c(c2)cc(cc3)CCC(OCC)=O)sc1	159
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)CCCO)sc1	44
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)CCCn4cc(c5c4cc(C)cc5)C#N)sc1	1277
+CC(C)(C)c1nc(-c2oc3c(cc(cc3)CCCCl)c2)sc1	723
+CC(C)(C)c1nn(c(NC(C2CC(=O)c3cc(-n4c5ncccc5nc4)ccc23)=O)c1)-c6ccccc6	142
+CC(C)(C)n1c(Br)c(cn1)-c2scc(CC(=O)O)n2	3
+CC(C)(C)n1c(-c2ccc(cc2)C(F)(F)F)c(cn1)-c3scc(CC(=O)NCC4CCOCC4)n3	1624
+CC(C)(C)n1nc(cc1NC(C(N)C)=O)C2(CCN(CC2)C)c3ccccc3	334
+CC(C)(C)n1nc(cc1-c2ccc(cc2)Cl)CCC=O	24
+CC(C)(C)n1nc(CCCN2CCN(CC2)c3ccc(cc3)Cl)cc1-c4ccc(cc4)Cl	61
+CC(C)(C)n1ncc(C(N)=S)c1Br	4277
+CC(C)(C)n1ncc(C(=O)N)c1Br	1356
+CC(C)(C)n1ncc(C(=O)O)c1Br	6
+CC(C)(C=1C(=O)C(C)=C(C)C(=O)C=1C)CC(=O)Nc2ccc(cc2)CO	33
+CC(C)(O)C1n2c(COC1)nc3c2c4c([n+]([O-])c3)cccc4	359
+CC(C)(O)C1COCc2n1c3c4ccccc4nc(N)c3n2	445
+CC(C)(NC(c1ccc(F)cc1F)=O)C(C)O	684
+CC(C)(C=1C(=O)C(C)=C(C)C(=O)C=1C)CC(=O)Nc2ccc(cc2)COc3ccc4nc(sc4c3)C#N	22
+c1cc(ccc1OC(=O)C(C)(C)CCCCCC)OCc2ccccc2	385
+c1cc(ccc1)COC(=O)C(C)(C)CCO	283
+CC(C)(CC=O)CCN=[N+]=[N-]	24
+CC(C)(O)COc1c(Br)c(ccc1)C=O	72
+c1cc(ccc1)C(=O)Oc2cc3ccc(CCCC(C)(C)CO)cc3cc2N4S(=O)(=O)NC(C4)=O	2676
+CC(C)(C=O)NC(=O)c1ccc(F)cc1F	24
+CC(C)(c1ccc(cc1O)N)COCCOC	106
+CC(C)(c1ccc(cc1[N+](=O)[O-])N)COCCOC	77
+CC1(C)c2c(C(C)(C)CC1)cc(C)cc2O	1204
+c1ccccc1CN(C)C(C)(C)CCO	44
+CC(C)(CO)NC(=O)c1ccc(F)cc1F	14
+c1cc(ccc1-c2nnn(C)c2COc3nnc(C(NC(C)(C)CO)=O)cc3)F	81
+CC(C)(N1CCCC1C)C(N)c2ccccc2	3867
+FC(F)(F)c1nc2ccccc2c(c1)C(NC(c3ccccc3)C(C)(C)N4CCCC4C)=O	14
+CC(C)(NC(c1ccc(cc1F)F)=O)C(C)=O	86
+CC(C)(N(C)Cc1ccccc1)CC(=O)OCC	131
+CC(C)(NS(=O)(=O)C)Cn1c(nc2c(N)nc3c(cc(O)cc3)c12)COCC	16
+CC(C)(NS(=O)(=O)C)Cn1c(nc2c(N)nc3ccc(OCc4ccccc4)cc3c12)COCC	445
+CC(C)(C(Oc1ncnc(c1)OCC#CCC)C)O	1470
+CC(C)(C1n2c3c4ccccc4[n+](c(c3nc2COC1)N)[O-])O	574
+CC1(C)OB(OC1(C)C)c2c(OCC(C)(C)O)cccc2C=O	17
+CC(C)(c1ccc2c([nH]c3c2c(c(C#N)cc3C(=O)N)-c4c(C)c(ccc4)N5C(N(c6c(cccc6F)C5=O)C)=O)c1)O	492
+c1cc(ccc1C(C)(C)OC)N2C(C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)=C(CCC)N=C2CC)=O	1671
+CC(C)(COCCOC)c1c(cc(NC(=O)C)cc1)O	606
+CC(C)(c1c(N)cc(NC(C)=O)cc1)COCCOC	0
+CC(C)c1c(C)cccc1OC	564
+c1cc(ccc1F)-n2ncc3cc(C(C)(C)C(C)(C)CN)ccc23	15
+c1cc(ccc1F)C(C)(C)CNc2ccc(nn2)Cl	232
+c1cc(ccc1F)C(C)(C)CNc2ncc(cn2)Br	1333
+CC(C)(COCCOC)c1ccc(cc1)N	0
+CC(C)(c1c([N+](=O)[O-])cc(cc1)NC(=O)C)COCCOC	26
+CC(C)(c1sc(cc1)Cl)c2nnc(n2C3CC3)C4CC4	2172
+CC(C)(c1sc(cc1)I)c2n(c(nn2)C3CC3)C4CC4	1927
+CC1(C)Cc2nc(ccc2CC1)C(NC(C)(C)c3noc(n3)C)=O	81
+CC(C)(c1nc(Nc2cc(NCCN)nnc2C(=O)N)ccc1)C#N	232
+CC(C)(c1nc(Nc2cc(nnc2C(=O)N)Cl)ccc1)C#N	314
+CC(C)(C#N)c1ccc(cn1)Nc2c3cc(ccc3ncc2[N+](=O)[O-])Br	1332
+CC(C)(c1nnc(C2CC2)o1)c3cncc(-c4cc5CCc6n(c(nn6)C)-c5cc4)c3	156
+CC1(C)c2c(c(Cl)cc(C#N)c2)NC(C1)c3cccc(Br)c3	1415
+CC(C)(C)OC(c1c(Cl)cc(c(Cl)c1)Cl)=O	2174
+CC1(C)Oc2c(cc(c(c2)O)Br)C(=O)C1	4293
+CC(C)=CCn1c2c(N(C(N(CC(=O)c3ccccc3O)C2=O)=O)C)nc1Cl	5
+CC(C)=NOc1c(C(c2ccc3c(c2)ccc(c3)OC)=O)ccc(OC)c1	2890
+CC(C)Nn1c2c3ccccc3ncc2nc1	4297
+CC(C)(N1C(CCC1)C)C#N	735
+Cc1ccccc1-c2cc(c(C(=O)N3Cc4n(Cc5c3cccc5)c(C(=O)O)cc4)cc2)OC	2892
+c1cc(ccc1C=2CCCCC=2C)C(N3Cc4ccc(C(=O)O)n4Cc5ccccc35)=O	2892
+c1cc(ccc1OCC2OC(C)(C)OC2)Br	381
+c1cc(ccc1Cl)C(NC(C)C)(C)C(CC=C)c2cc(ccc2)Cl	87
+CC(C)C(NNC(c1cc(ccc1)[N+]([O-])=O)=O)=O	3260
+CC(C)C(=O)Nc1c(cc(C(O)=O)cc1)N	6
+CC(C)C(=O)Nc1c(N)cc(C(OCC)=O)cc1	0
+CC(C)C(=O)Nc1cccc(Oc2cc(F)cc(Nc3c(F)cc(cc3)I)c2C(N)=O)c1	33
+CC(C)C(=O)c1cc(ccc1O)OC	5
+CC(C)C(=O)c1c(O)c(Cl)cc(c1)OC	196
+CC(C)C(CN)CC(=O)Nc1cc(Cl)c(cc1)C#N	157
+CC(C)C(c1cc(C)ccc1OC)CCC(N)=O	527
+CC(C)C(CNC(c1ccc2c(C(N(C(N2CC)=O)CC)=O)c1)=O)CC(=O)Nc3ccc(C#N)c(Cl)c3	14
+CC(C)C(C=O)N(C(=O)c1ccc(F)c(C)c1)C	24
+CC(C)C(CO)N(C)C(=O)c1ccc(F)c(C)c1	115
+FC(F)c1c(cc(cn1)CNC(=O)C(C)C)C(=O)OCC	68
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(=O)OC)NC(C(C)C)=O	26
+CC(C)C(=O)c1cc(OC)ccc1OC	94
+Fc1cccc(F)c1S(=O)(=O)Nc2c(ccc(-c3nc(sc3-c4nc(Cl)ncc4)C(C)C)c2)F	873
+CC(C)C(N1CCC(CC1)CBr)=S	199
+CC(C)c1nnc(-c2cc(ccc2)[N+]([O-])=O)o1	877
+CC(C)C(=O)NCCN	248
+CC(C)C(c1cc(C)ccc1OC)CCC(=O)O	4308
+CC(C)C(c1cc(c(NC)cc1)[N+](=O)[O-])=O	205
+CC(C)C(c1ccc(c(c1)[N+]([O-])=O)NC)n2cncc2	4309
+CC(C)C(c1cc([N+]([O-])=O)c(cc1)NC)O	74
+CC(C)C1CN(c2nnc(N)cc2)CCN1C(=S)Nc3cccc4c3cccn4	1366
+c1cc(ccc1CNc2ccc(nn2)N3CCNC(C(C)C)C3)OC	232
+CC(C)C1NCCN(c2ccc(nn2)Cl)C1	212
+CC(C)c1cc(O)cc(O)n1	4315
+CC(C)CNc1ccc(C)cc1C	291
+CC(C)COc1cc(ccc1)OCc2nc3ccccc3n2CC(C)C	656
+CC(C)COc1cc(ccc1)O	8
+CC(C)CC(CCC)N	316
+Cc1nc(nc(C)c1)NCCCCCN(C(=O)CCCCCCCCCCCCC)CCCNC(=O)CC(C)C	68
+CC(C)Cc1scc(C(OCC)=O)n1	4317
+CC(C)CC(C(=O)Nc1ccc(-c2ocnc2)c(c1)OC)Br	33
+CC(C)CC(CCC)NC(=O)c1cc(C)c(OC)cc1	14
+CC(C)Cc1c2c(n[nH]1)ccc(c2)O	4310
+CC(C)CC12CC1CC(C(C)O)C(C2)C	4320
+CC(C)CC1=CCC(C(O)C)C(C1)C	2700
+c1([N+]([O-])=O)ccc(Oc2cc3c[nH]nc3cc2)nc1	4323
+CC(C)CNc1ccc(C)cc1C	205
+CC(C)CN(CC(C)C)c1c(cc(-c2c(-c3[nH]nnn3)cccc2)cc1)NC(=O)Nc4ccc(cc4)C	11
+CC(C)CN(CC(C)C)c1ccc(cc1N)Br	0
+CC(C)CN(CC(C)C)c1c(cc(Br)cc1)NC(=O)Nc2ccc(cc2)C	124
+CC(C)CN1CCCCC1CN	15
+c1cc(ccc1-c2cc(C(N(C)CC(C)C)=O)cc(c2)C(=O)OCC)C	30
+CC(C)CN(CC(C)C)c1ccc(Br)cc1[N+](=O)[O-]	34
+c1(cc(cc(F)c1Br)S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C)F	416
+c1cc(ccc1C(=O)C)S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C	416
+c1ccccc1Nc2nc(nc(-c3ccccc3)n2)NC(OCC(C)C)=O	4331
+CC(C)COP(CCCN)(=O)C	51
+CC(C)COP(=O)(CCC#N)C	4332
+CC(C)COc1nc(ccc1-c2c(F)ccc(OC)c2)COC	629
+CC(C)COc1c(-c2cc(OC)ccc2F)ccc(C(OC)=O)n1	89
+CC(C)COc1cccc(OCC(OCC)=O)c1	52
+CC(C)COc1ccc2c(c(nn2C)C=O)c1	2158
+CC(C)COc1cc2c([nH]nc2cc1)C=O	804
+CC(C)COc1cccc(OCc2[nH]c3c(n2)cccc3)c1	442
+CC(C)COc1cccc(OCC(O)=O)c1	3
+CC(C)COc1nc(CN(c2cc(ncn2)C(C3CC3)CC(O)=O)C)ccc1-c4c(F)ccc(OC)c4	3
+CC(C)COc1nc(CN(c2cc(ncn2)C(CC(=O)OCC)C3CC3)C)ccc1-c4c(F)ccc(OC)c4	1347
+c12c(cccc1)C(=O)N(C2=O)Cc3ccc(-c4c(F)ccc(OC)c4)c(n3)OCC(C)C	2181
+CC(C)COc1nc(CO)ccc1-c2c(F)ccc(OC)c2	88
+OB(O)c1ccccc1CC(C)C	422
+CC(C)Cc1c(OC)cc2OCc3c(-c2c1)n(nc3C(O)=O)-c4cscc4	6
+c1(C)cc(cc(C)c1Oc2cc3c([nH]nc3cc2)CC(C)C)[N+]([O-])=O	46
+CC(C)Cc1cc-2c(OCc3c-2n(nc3C(N4CCCN(C(C5OCCC5)=O)CC4)=O)-c6ccsc6)cc1OC	10
+CC(C)Cc1scc(n1)C(=O)O	6
+CC(C)Oc1cc(ccc1)-c2cncc3cc(C(OCC)OCC)oc23	313
+FC(F)(F)c1cc(Cl)c(nc1)-c2ccc(Cl)c(OC(C)C)c2	313
+CC(C)Oc1cccc(c1)CCC(OC)=O	313
+CC(C)NCc1cc(-c2nc(-c3cc(c(-c4ccccc4C)cc3)COC)on2)ccc1	4339
+CC(C)NC(=O)c1c(n[nH]c1)-c2nc3ccccc3[nH]2	4340
+CC(C)Nc1c([N+](=O)[O-])cc(Br)cc1	60
+c1cc(ccc1C#Cc2nc(NC(C)C)ncc2)F	96
+CC(C)NCc1ccc(cc1)C(OC)=O	370
+CC(C)Nc1nc(nc2c1CCC2c3ccccc3)Cl	40
+CC(C)N1C(C(C(=O)O)=Cc2c(cccc12)C)=O	108
+O=S(=O)(c1nc(C)c2C=CC(N(C(C)C)c2n1)=O)C	737
+CC(C)N1C(N(C(=O)C1)c2ccc(O)cc2F)=O	5
+CC(C)N1C(N(c2c(cc(OCc3c(cc(cc3)Cl)OC(C)C(OC)=O)cc2)F)C(=O)C1)=O	139
+CC(C)N1C(C(=Cc2c1nc(N)nc2)c3ccc(c(c3)N)F)=O	0
+CC(C)N1c2c(cnc(n2)SC)C=C(c3cc([N+]([O-])=O)c(F)cc3)C1=O	1597
+CC(C)N1c2c(C=C(C1=O)c3cc([N+]([O-])=O)c(F)cc3)cnc(N)n2	4048
+CC(C)NC(=O)C1CCC(CC1)Nc2cc(ncc2N)OCCOC	13
+FC(F)(F)C(N1CCc2c(c(NCc3ccc(cc3)CC(=O)NC(C)C)c(cc2)Cl)CC1)=O	1627
+c1cc(ccc1Nc2nc(Nc3c(cccc3)C(=O)NC(C)C)c(F)cn2)C(OCC)=O	55
+CC(C)NC(=O)c1ccccc1Nc2c(F)cnc(Nc3ccc(cc3)CNCCS(=O)(=O)C)n2	42
+CC1(C)CC2(OCCO2)CC(C)(C)N1c3nc(Cl)nc(N(C(C)C)C(C)C)n3	436
+c1cc(ccc1F)S(=O)(=O)N(CC(=O)OC)C(C)C	1387
+CC(C)Nc1ccc(Br)cc1N	0
+CC(C)n1nnc2ccc(C(O)=O)cc12	2183
+CC(C)n1c2c(nc1Nc3ccc(cc3)C(=O)OC)cc(cc2)Br	1023
+CC(C)Nc1nc(SC)nc(c1C=CC(=O)OCC)C	4349
+CC(C)N1C(C=Cc2c(C)nc(SC)nc12)=O	3690
+CC(C)Nc1nc(SC)nc(C)c1I	2906
+c1ccccc1C2CCc3c2nc(Nc4ccc(c(c4)OC)-n5cc(nc5)Cl)nc3NC(C)C	55
+CC(C)Nn1cnc2c(N)nc3c(cccc3)c12	461
+OB(O)c1ccc2c(CCCC2)c1	579
+OB(O)c1ccccc1CCOC2OCCCC2	281
+OB(O)c1ccc(F)c(c1F)OCCCCCC	1509
+CC(C)OB(OC(C)C)c1ccc2c(c1)CCCC2	585
+c1cc(ccc1)COc2c(cc(Cl)cc2)-c3c(B(O)O)cccc3	281
+CC(C)OB(O)c1ccc2c(CCCC2)c1	579
+C(Oc1ccc(c(c1C#N)NCc2c(F)ccc(c2)-c3cc(ccc3)F)F)C(=O)O	887
+c1c(-c2cc(ccc2)F)cc(c(F)c1C)CNc3c(C)ccc(OCC(=O)O)c3C	887
+c1c(c(c(NCc2cc(OC)cc(-c3cc(F)ccc3)c2)c(C)c1)C)OCC(=O)O	887
+CC(C)OC(COc1c(C)c(c(F)cc1)NCc2c(OC)c(cc(-c3cccc(F)c3)c2)C)=O	52
+CC(C)OC(=O)COc1c(C)c(c(cc1)C)NCc2cc(-c3cccc(F)c3)cc(c2F)C	52
+CC(C)OC(=O)COc1c(C#N)c(NCc2c(ccc(-c3cc(ccc3)F)c2)F)c(cc1)F	52
+c1c(c(c(NCc2c(OC)c(cc(-c3cc(F)ccc3)c2)C)c(F)c1)C)OCC(=O)O	887
+CC(C)OCC(O)CO	265
+CC(C)Oc1cc(Oc2nccnc2)cc3B(O)OC(CC(O)=O)c13	3
+CC(C)Oc1cc(ccc1)-c2cncc3cc(C=C4C(=O)NC(=O)S4)oc23	2025
+CC(C)Oc1cc(ccc1)-c2c3c(cnc2)cc(o3)C=O	2084
+CC(C)Oc1cc(CCc2[nH]nc(Nc3ccnc(Cl)n3)c2)ccc1	349
+CC(C)Oc1ccc(-c2nc(-c3ccc(Br)c4c3ccn4CC)no2)cc1Cl	529
+CC(C)Oc1cc(ccc1)CCc2cc(N)[nH]n2	4357
+CC(C)S(=O)(=O)c1ccc(N)cc1C#N	0
+O=S(=O)(c1ccccc1Nc2nc(ncn2)Cl)C(C)C	360
+O=S(=O)(NC(Nc1nc(C)cc(n1)C)=O)c2ccccc2S(=O)(=O)C(C)C	1722
+CC(C)S(=O)(=O)c1ccc(NC(=O)N(C)C)cc1C#N	2083
+O=S(=O)(C(C)C)c1ccc(cc1CN)NC(=O)N(C)C	107
+C[Si](C)(C)C#Cc1c(N)ncc(-c2ccc(cc2)S(=O)(=O)C(C)C)n1	4345
+CC(C)S(=O)(=O)c1ccccc1Nc2nc(Nc3cc(c(C4CCN(CC4)S(=O)(=O)C)c5CC(C)Oc35)C)ncn2	112
+CC(C)S(=O)(=O)c1c(cccc1)S(=O)(=O)N=C=O	4361
+CC(C)SC(C)(C)C(C(O)=O)NC(=O)OCC	544
+CC1(C)Oc2c(cc(Br)c(c2Cl)OCC)C(=C1)C(C)C	2911
+CC1(C)C=C(c2c(cc(OCC)c(c2)Br)O1)C(C)C	2911
+CC(C)[Si](C(C)C)(C(C)C)Oc1ccc(cc1)C=O	154
+CC(C)[Si](C(C)C)(C(C)C)OC1CN(CC1)c2n3c(ccc(c3)OC4CCC(c5c4cccc5)N)nn2	870
+CC(C)[Si](C(C)C)(C(C)C)OC1CN(c2nnc3n2cc(cc3)F)CC1	655
+CC(C)[Si](C(C)C)(C(C)C)Oc1ccc(cc1)C=C	443
+CC(C)c1c(OC)cc(c(Oc2c(Br)cc(cc2Br)CC(O)=O)c1)C(c3cc(C)ccc3)=O	4
+CC(C)c1c(ccc(C(O)c2c(C)cc(cc2)OC)c1C)OC	257
+CC(C)c1c(c(no1)COc2c(Cl)cccc2Cl)COc3cc4c(cc3)n(cc4)Cc5cc(ccc5)C(=O)O	1
+CC(C)c1c(c2ccc(O)cc2n1Cc3ccccn3)C(=O)NCc4cc(F)c(cc4)F	5
+CC(C)c1ccc(Br)cc1C(O)c2cc3N(Cc4ccccc4)CCOc3cc2	257
+c1ccccc1CN2c3c(CCC2)ccc(c3)C(O)c4cc(Br)ccc4C(C)C	257
+c1(Br)cc(cc(Br)c1Oc2cc(c(cc2)OC)C(C)C)CC(OC)=O	4367
+CC(C)c1nc(c(c(O)c1)[N+](=O)[O-])O	475
+CC(C)c1cc(ccc1)NC(c2cc(ccc2)N3CCc4c(C3)cncc4C(=O)NCC(OC)=O)=O	4370
+CC(C)c1cc(ccc1)NC(c2cc(ccc2)N3CCc4c(cncc4C3)C(O)=O)=O	1
+c1cc(ccc1)CN2c3cc(ccc3OCC2)Cc4c(C(C)C)ccc(Br)c4	452
+CC(C)c1c(cccc1)C=O	146
+CC(C)c1c(c2ccc(OC)cc2n1Cc3ccccn3)C(NCc4cc(F)c(cc4)F)=O	56
+FC(F)(F)c1cc(ncc1)-n2cc(CCC(=O)OCC)c(n2)C(C)C	1706
+CC(C)c1nc(O)c(c(NCC)c1)[N+](=O)[O-]	105
+CC(C)c1nc(c([N+](=O)[O-])c(c1)N)O	1724
+CC(C)c1nc(Cl)c([N+]([O-])=O)c(NCC)c1	137
+CC(C)c1nc(O)c([N+]([O-])=O)c(c1)Cl	120
+C1CN(CCC1COS(=O)(=O)C)c2nc(C(C)C)no2	7
+CC(C)c1nnc(-c2cc(N)ccc2)o1	0
+CC(C)c1c(c(no1)COc2c(Cl)cccc2Cl)COc3cc4c(n(cc4)Cc5cccc(c5)C(OC)=O)cc3	20
+CC(C)n1c2c(cc1C(O)=O)cc(O)cc2	16
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cc(ccc4)CO)nc12	14
+CC(C)n1c2cc(C=O)ccc2nn1	760
+c1cc(ccc1-c2cn(C(C)C)c3c2c(ncn3)Cl)OC	2123
+CC(C)n1c2c(c(cc(-c3cccc(CO)c3)n2)C(=O)O)cn1	6
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cccc(c4)CN(C)CCCN(C)C)nc12	131
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cccc(CN(C)C)c4)nc12	131
+CC(C)n1c2c(ccc(C(=O)N(OC)C)c2)nn1	280
+c1cc(C)n(c1C)-c2ccc(cc2F)I	1727
+C(CCc1cc2c(cccc2)cc1)C(CC(=O)C(OCC)=O)=O	1135
+Fc1c(F)c2c(c(NC(=O)C)c1)CCCC2	165
+Nc1c(c(Cl)c(cc1)Br)C	106
+O=S(=O)(NCCC(=O)NC(c1cncn1C)(C)c2ccc(c(F)c2)C#N)c3cc(OC)ccc3	9
+c1c(C(=O)C)c(O)c(c(c1Cl)OCCOCCOc2c(c(ccc2C(C)=O)OCC(=O)OCC)CCC)CCC	262
+c1c(C(C(O)=O)C)cc(c(c1)OC)OC	4
+C(C)(c1cccc(C#N)c1)O	74
+CC1(C)OB(OC1(C)C)c2cccc(N3CCC(CC3)C(N(C)C)=O)c2	17
+CC1(C)C(C)(C)OB(O1)c2cc(F)cc(NCCN(C)C)c2	17
+CC1(C)C(C)(C)OB(O1)c2c(cc(cc2C)C=CC#N)C	17
+CC1(C)C(C)(C)OB(O1)c2c(ccc(-c3c(nccc3)C)c2)OC	17
+CC1(C)C(C)(C)OB(O1)c2c(C)c(CC(=O)OC)cc3c2cc(cc3)Cl	425
+CC1(C)C(C)(C)OB(O1)c2c(c(cc3c2cc(cc3)F)CC(=O)OC)C	425
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)C(CC)(CC)c3ccc(C=CC(CC)(CC)O)c(C)c3	425
+CC1(C)C(C)(C)OB(O1)c2c(C)c(N3C(=O)c4c(N(C)C3=O)c(ccc4)F)ccc2	17
+CC1(C)OB(OC1(C)C)c2cc(C(N)=O)ccc2C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3nc(C)cc(C)n3	632
+CC1(C)C(C)(C)OB(O1)c2c(F)c(c(F)cc2)-c3c(C#N)cc(cc3)F	17
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2F)C(OC)=O)OC	17
+CC1(C)OB(OC1(C)C)c2c(nccc2C)OC	234
+CC1(C)OB(OC1(C)C)c2cc3CCc4nnc(C)n4-c3cc2	17
+CC1(C)C(C)(C)OB(O1)c2ccc(c(C)c2)C#N	17
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)C=O)[N+](=O)[O-]	17
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)OC(=O)N3CCC	17
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2Cl)CN(C)C(=O)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C(=O)OCC)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C(N)=O)C	17
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)(C)O	17
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)NC(Nc3ccc(C(N(C)C)=O)c(c3)F)=O	17
+CC1(C)OB(OC1(C)C)c2cnc(CCC#N)cc2	234
+CC1(C)OB(OC1(C)C)C2=CN(C(=O)c3ccccc23)C	4379
+CC1(C)OB(OC1(C)C)c2cc(OC)c(c(OC)c2)Cc3ccccc3	17
+OB(O)c1ccnc2n(ncc12)-c3ccc(F)cc3Cl	4384
+CC1(C)OB(OC1(C)C)c2ccnn2-c3ccc(cc3)C#N	4387
+c1cc(ccc1-c2c(c(cc3ccc(Cl)cc23)CC(OC)=O)C)Sc4c(Cl)cccc4	99
+FC(F)Oc1cc(F)ccc1-c2nc(ncn2)Nc3cccc(CS(=O)(=O)C)c3	2079
+FC(F)(F)c1ccccc1Sc2ccc(cc2)-c3c(c(cc4ccc(cc34)F)CC(OC)=O)C	99
+O=S(=O)(C)c1cnc(cc1)-c2c(C)c(CC(=O)OC)cc3ccc(cc23)F	245
+CN(C)CCNc1cc(cc(-c2cncc(N)c2[N+]([O-])=O)c1)F	156
+O=Cc1ccc(cc1[N+]([O-])=O)-c2ncccc2	245
+C(=C(C(=O)O)OC)c1cc(c(cc1)-c2cc(ccc2)N(C(=O)NCCCCCCC)C)OCCCC	1049
+c1cc(ccc1-c2cc3c(C=O)c[nH]c3cc2F)-c4c(O)cccc4	99
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)COc3cc4c(cc3)C(c5c(C(O)=O)cccc5)=C6C(=CC(C=C6)=O)O4	1
+c1cc(ccc1-c2nc(c3c(CN(C)C3)n2)N4CCOCC4C)N	261
+c1cc(ccc1-c2ccc(CN(C)C(=O)C)cc2Cl)N3C(c4c(OCC3)ncnc4N)=O	99
+c1c(-c2ccc(cc2F)OC)c(F)cc(c1)C(=O)OC	99
+FC(F)(C(F)(F)Cl)c1ccc(cc1)NC(c2cc(-c3n(C4OCCCC4)ncc3)c(nc2)N5CCC(C5)O)=O	2928
+CC(C)(C)OC(=O)N1CCC(CC1)n2cc(-c3cc(c(nc3)N)-c4nc5c(c(ccc5)C(=O)OC)o4)cn2	1029
+FC(F)(F)c1c(N)ncc(c1)-c2cc(nc(Cl)n2)Cl	2788
+O=S(=O)(c1ccc(cc1)-c2cnc(nc2)CC)Nc3c(F)c(F)c(c(F)c3F)C(=O)OC	1629
+c1(c(c(ccc1F)Br)F)-c2ccc(cc2C#N)F	1718
+Nc1cc(OC)c(cc1Cl)Br	1718
+CC1(C)c2ccc(-c3cnccc3)c(F)c2N(C)C1=O	1617
+C1CCCC1N2c3c(cnc(Nc4ccc(cc4OC)C(=O)O)n3)N(C)C(C(C)(C)C2)=O	55
+CC1(C)C(Nc2c(C1)cc(Cl)cc2C(O)=O)c3cccc(NC(c4cnccn4)=O)c3	466
+C1CC1S(=O)(=O)NC(c2c3c(CC(C)(C)C(c4cccc(c4)NC(c5cnccn5)=O)N3)cc(Cl)c2)=O	258
+CC1(C)C(Nc2c(cc(cc2C(OC)=O)Cl)C1)c3cc(N)ccc3	0
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(=O)OC)[N+]([O-])=O	414
+CC1(C)C(Nc2c(C1)cc(Cl)cc2C(O)=O)c3cc(N)ccc3	1
+CC1(C)CC(CCC1O)Nc2nc(ncc2C#N)NCCc3c(ccc(Cl)c3)S(=O)(=O)N	435
+CC1(C)C(Nc2c(C1)cc(cc2C(OC)=O)Cl)c3cc([N+](=O)[O-])ccc3	414
+CC1(C)C(n2cncc2C(O)C)c3c(C(=O)O1)cccc3	3920
+CC1(C)C(c2ccccc2C(=O)O1)n3cncc3C=O	614
+CC1(C)C(c2ccccc2C(O1)=O)n3cncc3C(=O)C	4404
+C1CC1CN2CCN(CC2)c3c(C=4CC(C)(C)CC(C)(C)C=4)cccc3	252
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(O)c(Cl)c2)c3ccc(cc3)C=CC(=O)OCC	233
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(O)c(Cl)c2)c3ccc(cc3)C=CC(=O)O	108
+CC1(C)CC(CC(C)(C)C1)=C(c2ccccc2)c3ccc(cc3)C=CC(=O)OCC	233
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)O)c3ccccc3	108
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(O)c(Cl)c2)c3ccc(cc3)Br	904
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)Br)c3ccccc3	904
+CC1(C)CC(CC(C)(C)N1Cc2ccc(cc2)Cl)=O	131
+CC1(C)CC(CC(C)(C)N1Cc2ccc(cc2)Cl)N	733
+CC1(C)CC(CC(C)(C)N1Cc2ccc(cc2)Cl)=NO	350
+CN(C)CCOc1ccc2c(C(=O)C(C)(C)CC2c3ccc(cc3)Cl)c1	72
+CC1(C)CC2(CC(C)(C)N1c3nc(Cl)nc(Cl)n3)OCCO2	436
+CC1(C)CC2=C(C(=O)C1)C(c3c(N2)c(C(N)=O)[nH]c3)c4ccc(Sc5[nH]c6ccccc6n5)o4	247
+CC1(C)CC2=C(C(c3ccc(Sc4[nH]c5ccccc5n4)o3)c6c[nH]c(C(=O)O)c6N2)C(=O)C1	6
+CC1(C)CCC(c2c(cc(C(C)=O)cc2)N)=CC1	0
+CC1(C)CCC(=CC1)c2c(cc(C(C)(C)O)cc2)NC(c3nc(c[nH]3)C#N)=O	2929
+CC1(C)CC=C(CC1)c2c([N+](=O)[O-])cc(cc2)C(=O)C	989
+CC1(C)c2c(OC)c(C#N)c(cc2C(C)(C)CC1)C	1421
+CC1(C)c2cc(N)ccc2NC(=O)CC1	0
+C[Si](C)(C)CCOCn1cc(nc1C(=O)Nc2cc(C(=O)C)ccc2C=3CCC(C)(C)CC=3)C#N	616
+CC1(C)CCSc2ccc(C#Cc3ncc(cc3)C#N)cc12	2351
+CC1(C)CCSc2ccc(C#Cc3ncc(cc3)C(O)=O)cc12	2160
+CC1(C)CCSc2ccc(cc12)C#Cc3ncc(cc3)C(=O)OCC	342
+CC1(C)c2cc(C=O)c(cc2CC1)O	5
+c1cc(ccc1)CN2Cc3c(nc(cc3)O)C(C)(C)C2	131
+CC1(C)Cc2ccc(cc2C=N1)[N+]([O-])=O	77
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(-c5cc6nc(CCC)[nH]c6nc5)ccc4OCC3	3859
+CC1(C)Cc2c(CC1)ncnc2N3Cc4c(OCC3)ccc(-c5cc(c(N)nc5)NC(CCC)=O)c4	308
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(-c5cc6c(nc5)[nH]c(C(F)F)n6)ccc4OCC3	2684
+CC1(C)Cc2c(CC1)ncnc2N3Cc4c(OCC3)ccc(c4)-c5cnc(N)c(c5)N	13
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(ccc4OCC3)-c5cnc(N)c([N+]([O-])=O)c5	89
+CC1(C)Cc2c(Cl)ncnc2CC1	64
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(ccc4OCC3)B(O)O	54
+CC1(C)Cc2c(c(cc(c2)Cl)C(=O)OC)O1	47
+CC1(C)Oc2c(CO)cc(cc2C1)Cl	98
+CC1(C)NCc2cc(ccc2C1)[N+]([O-])=O	1172
+CC1(C)Cc2c(ccc(C(O)=O)n2)CC1	1
+c1cc(ccc1CC2N(C(C)(C)C3C2C(=O)N(Cc4ccccc4)C3=O)C)Br	2195
+c1cc(ccc1CN2C(C)(C)C(NCC2)=O)OC	1330
+FC(F)(F)C(=O)N1Cc2cc(ccc2CC1(C)C)[N+](=O)[O-]	520
+O=S(=O)(C)c1cc(c(cc1)F)C2=CN(C(=O)c3ccccc23)C	4417
+CC(C)(C)OC(N1CC=C(CC1)c2cc3CC(Oc3cc2)(C4CCN(CC4)c5ncc(cn5)C6CC6)C)=O	563
+Fc1c(OC)cc(OC)c(F)c1N2Cc3cnc(C=C)cc3N(C2=O)CC	2407
+CC(C)(C)OC(N1CCC(CC1)n2cc(cn2)-c3cc(-c4ncc5c(cccc5)c4F)c(N)nc3)=O	2926
+CC(C)(C)C(=O)Nc1cc(F)ccc1-c2ncccc2	245
+c1(ocnc1)-c2cc(ncc2)-c3c(C)ccnc3OC	1797
+CC(C)(C)[Si](C)(C)OC1CCc2c(-c3cnc(-c4cc(c(F)cc4)C#N)s3)cccc12	836
+CC1(C)OB(OC1(C)C)c2cn(nc2)CCCOCc3ccccc3	338
+c1cc(ccc1)-n2nc(C(OCC)=O)cc2NC(c3cc(-c4c(ccc(n4)CC#N)Cl)ccc3Cl)=O	362
+c1cc(ccc1N2CCN(CC2)C3COC3)Nc4nc(ncn4)-c5cc(C#N)c(F)cc5	2079
+CN(C)CCn1cc(-c2cc(OC)c(N)cc2)cn1	2029
+c1cc(ccc1)[Si](c2ccccc2)(OCCn3cc(cn3)-c4cc(OC)c(N)cc4)C(C)(C)C	2029
+c1ccccc1-c2nc(nc(-c3ccccc3)n2)-c4ccc(cc4)-c5nc(C)cc(C)n5	2079
+c1cc(ccc1C#N)-c2sc(Nc3cccc(c3)NS(=O)(=O)C)nc2	836
+c1cc(ccc1-c2c3ccccc3c(nn2)O)C(C)C(=O)OCC	746
+FC(F)(F)C(O)c1ccc(cc1)-c2ccc(cc2)C(C(=O)N)C	99
+c1cc(ccc1CCN2CCOCC2)-c3cc(S(=O)(=O)n4ccc(C=CC(=O)NOC5OCCCC5)c4)ccc3	99
+CC(C)(C)OC(N1C2CC(=CC1CC2)c3ccc(cc3)N4CCN(CC4)S(=O)(=O)C)=O	2924
+FC1(F)CCN(CC1)c2nc(C3C(C(=O)OC)CCCC3)c(-c4ccc(cc4)N5CCS(=O)(=O)CC5)s2	836
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2c(c3c(ncc(Cl)c3)[nH]2)-c4cncnc4	4425
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3cccc(F)c3	472
+c1cc(ccc1OCCN2CCN(CC2)C)-c3cccc(S(=O)(=O)n4ccc(C=CC(=O)NOC5OCCCC5)c4)c3	99
+c1cc(ccc1Oc2ccc(cc2)-c3nc(C(=O)N)cc(n3)NCC(O)C(N)=O)F	261
+c1cc(ccc1Cl)-c2cccc3[nH]ccc23	803
+c1cc(ccc1C)S(=O)(=O)n2c3ncc(F)cc3c(-c4nc(c(cn4)F)SC)c2	1344
+C(C)N(CC)C(=O)c1cc(ccc1N)-c2cn(CCCO)nc2	320
+CC1(C)OB(OC1(C)C)c2cn(nc2)CCCO	118
+ClC(Cl)C(NC(C(O)c1ccc(cc1)-c2ccc(CCC#N)nc2)CF)=O	4429
+CC1(C)OCC(Cn2c(COCC)nc3cnc4cc(Br)ccc4c23)O1	546
+CC1(C)OCC(CCOc2c([N+](=O)[O-])c(Nc3ccc(I)cc3F)cc(F)c2)O1	57
+CC1(C)OC(CNc2c(cnc3cc(ccc23)Br)N)CO1	13
+c1c(I)cc(c(Nc2c(c3c(ocn3)cc2C(NOCC(CO)O)=O)F)c1)F	265
+CC1(C)OCC(CCN)O1	18
+FC(F)(F)c1c(cccc1)-c2nc3c(cccc3C(=O)Nc4cccc(c4)OCC5COC(C)(C)O5)[nH]2	246
+CC1(C)OC(Cn2c3c4c(cc(Br)cc4)nc(N)c3nc2COCC)CO1	461
+CC1(C)OC(CO1)CONC(=O)c2c(Nc3c(F)cc(I)cc3)c(c4c(ocn4)c2)F	514
+CC1(C)OCC(COc2cccc(c2)N)O1	0
+CC1(C)OCCC(C=O)C1	24
+CC1(C)OCCC(CNc2cc(c(nc2)Cl)Br)C1	839
+CC1(C)CC(CNc2cnc(c(-c3cc(ncc3Cl)F)c2)Cl)CCO1	3218
+CC1(C)Oc2cc(c(Br)cc2C(=O)C1)OCC	116
+CC1(C)CC(=O)c2cc(c(c(c2O1)Cl)OCC)Br	662
+CC1(C)c2cc(C)cc(OC)c2C(C)(C)CC1	297
+CC1(C)CCc2c1cc(c(OC)c2)C=O	151
+O=S(=O)(OCCN1C(c2cc(Br)sc2C1(C)C)=O)C	7
+c1cc(ccc1C(F)(F)C(OCC)=O)NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C	4433
+c1cc(ccc1NC(c2ccc3c(c2)C(C)(C)CCC3(C)C)=O)C(Nc4c(N)cccc4)=O	67
+CC1(C)c2c(cc(cc2)C(=O)Nc3ccc(cc3)C(O)=O)C(C)(C)CC1	1
+CC1(C)CCC(C)(C)c2c(OC)c(c(cc12)C)C=O	502
+CC1(C)CCC(Nc2ccc(cc12)Nc3nc(c(Cl)cn3)Nc4c(ccc([N+](=O)[O-])c4)C(=O)NC)=O	55
+CC1(C)c2c(cc(cc2)C(=O)Nc3ccc(cc3)C(OC)=O)C(C)(C)CC1	67
+CC1(C)c2c(cc(C(=O)Nc3ccc(cc3)I)cc2)C(C)(C)CC1	67
+C[Si](C)(C)c1c(c2N(C)C(=O)C(C)(C)c2cc1)F	1091
+CC1(C)CCC(Nc2c1cc(cc2)[N+]([O-])=O)=O	77
+c1cc(ccc1-c2c(c(NC(=O)C3C(C)C3)sn2)C)O	1477
+Clc1nc(nc(Cl)c1)N2CCCC2C	117
+C(N1CCCC1C)C#N	1576
+c1cc(ccc1-c2ccc(cc2)C3C(CCN4C(C)CCC4)C3)C#N	123
+c1cc(ccc1OCCCN2CCCC2C)I	53
+c1ccccc1COC(NC2c3nc(sc3CC2)-c4ccc(cc4)OCCCN5CCCC5C)=O	53
+O=S(=O)(C)c1cc2OC(COc2cc1)CN3CCCC(C3)C	236
+CC1CN(CC(C)O1)CCNC(=O)Nc2nc3ccc(S)cc3s2	1180
+C1C(C)N(C(CN1c2ccc(c(NS(=O)(=O)c3ccc(cc3)-c4cccs4)c2)OC)C)C	79
+O=S(=O)(Cc1c(OCCN2CC(C)OC(C)C2)cc(C(Nc3ccc(Cl)c(-c4ccccn4)c3)=O)cc1)C	28
+c1cc(ccc1OCCO)-c2cccnc2	4437
+c1cn(c2c(ccc(C#N)c12)Br)CC	339
+c1c(cc(c(c1)Cc2c(nn(-c3cc(ccc3Cl)NC(CC)=O)c2C#N)CCCC)F)Br	829
+c1c-2c(cc(c1)C(=O)CC)CCc3ccccc-23	94
+c1cc(ccc1NC(=O)CC)[N+](=O)[O-]	26
+O(c1cc(c([N+]([O-])=O)cc1F)F)c2ccnc(c2)NC(=O)CC	1153
+c1c2NC(CCc2cc(c1)Nc3nc(NC(CC)C(N)=O)cnc3C#N)=O	1410
+CCC(CC)C(=O)c1c[nH]c2cnc(cc12)-c3c(C)cccc3C	432
+c1cc(ccc1-n2c(ccn2)C(C(CC)CC)NS(=O)(=O)c3ccc(Cl)s3)OC	1427
+CCC1(CC)c2c(c(OCc3ccccc3)ccc2F)NC1	3897
+c1cc(ccc1F)-c2cc(OC(CC)CC)c(NC)nc2-c3ccc(cc3Cl)OC	89
+c1c(cc(Cl)nc1NC(C)CC)C(=O)OC	70
+CCC(C(=O)N)Nc1cnc(c(Cl)n1)C#N	2941
+O=S(=O)(c1cc(cc([N+](=O)[O-])c1)NC(CNC(CC)CO)=O)C	402
+CCC(NCCc1cc(c(c(Cl)c1)Cl)C=O)=O	39
+CCC1(CC)c2c(N(CCC(C)(C)NCC(c3c4ccc(nc4cc(OCc5ccccc5)c3)O)O)C(=O)O1)cccc2	122
+CCC1(CC)c2c(N(CCC(C)(C)NCC(c3cc(cc4nc(ccc34)O)O)O)C(=O)O1)cccc2	16
+C1C(C(CN(C(=O)OCC)C1)CC)=O	66
+C(CC(NCCC)CC(=O)N)CCCCCCCCCCC	110
+c1cc(ccc1[N+]([O-])=O)Oc2ccnc(NC(CCC)=O)c2	195
+c1(c([N+]([O-])=O)cc(C)c(Cl)c1)NCCCC	205
+C(c1ccc(c(Cl)c1)Cl)NCCCC	42
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCCCCC(=O)NCCCC	9
+C(C)OC(c1cc(C)n(CCCC)n1)=O	2202
+O=S(=O)(C)c1nnc(NC(=O)N(CCCC)N)s1	2551
+O=S(=O)(C)c1c(c(C2CCN(CC2)CCC)ccc1)F	183
+c1c(cc2c(OC(=O)N2CCC)c1)Br	4325
+c1ccccc1COC(NC2CC3c4c5c(CC3N(CCC)C2)c[nH]c5ccc4)=O	183
+C(CC)N1C(Cc2c1c(F)cc([N+]([O-])=O)c2)=O	1611
+O=[N+](c1c(NCCC)cc(c(F)c1)[N+](=O)[O-])[O-]	60
+CCCNC1CCc2ncsc2C1	2190
+c1cc(ccc1)N2CCN(CC2)C(=O)NCCCCN(CCC)C3CCc4c(C3)scn4	61
+CC(C)(C)OC(N(C1CCN(c2c3c(ncc2)n(COCC[Si](C)(C)C)c4cnc(cc34)C#N)C1)CC)=O	2802
+Clc1cc(c(N)cc1)C(=O)c2c(OCC)c(ccc2)OC	116
+C(C)N(CC)CC(C)N1c2ccc(Cl)cc2Sc3ccc(cc13)C#N	183
+c1cc(ccc1C(=O)N2CC(CC2)OS(=O)(=O)C)Cc3n(CC)c4ccccc4n3	1519
+c12c(cccc1)C(=O)N(C2=O)CCCN(CCc3ccc(cc3)Cl)CC	183
+c1ccccc1COc2cc(cc(OCC)c2Br)-c3ncc(o3)C	116
+ClC1(Cl)C(C(NCC)=O)(C)C1	68
+Clc1cc2Sc3c(cc(C#N)cc3)N(C(C)CNCC)c2cc1	285
+[N-]=[N+]=NCC(CN1c2nc(ncc2C=C(C1=O)c3c(Cl)cc(-c4nc(cnc4)C)cc3)NCC)O	785
+c1([N+]([O-])=O)cc(N)ccc1NCC	60
+c1c(C)c(c(cc1C)C)Oc2nc(cc(NCC)c2C)C	105
+c1c(CNCC)c(C)c([N+]([O-])=O)cc1	3550
+c1c(ccc(Sc2cc(C(NCC)=O)ccc2[N+]([O-])=O)c1F)F	93
+C(C)N(CC)C(=O)c1c(c2c(c(-c3ccc(cc3)OC)c1)cccc2)OC	11
+C(C)N(CC)C(C(C#N)=Cc1cc(c(c(OC)c1)O)[N+]([O-])=O)=O	2204
+C(C)N(CC)CCCOc1ccc(c(F)c1)[N+]([O-])=O	126
+c1cc(ccc1Cl)-c2c3C(C(Nc3ccc2)=O)=Cc4c(C)cc([nH]4)C(=O)NCCN(CC)CC	292
+CCN(CC)CCNC(=O)c1[nH]c(C=C2c3c(cccc3NC2=O)-c4cc(ccc4)Br)c(c1)C	292
+O=S(=O)(C)c1c(C2=Cc3c(nc(nc3)SC)N(C2=O)CC)cccc1	1597
+c1([N+]([O-])=O)ccc(N2CC(N(CC2)CC)=O)c(F)c1	3518
+c1cc(ccc1)OC(Nc2cc(c(cc2F)F)C3=Cc4cnc(NC(CC#N)=O)cc4N(C3=O)CC)=O	90
+CCN1c2nc(F)ccc2N(C)C(c3c1ncc(c3)CCOc4cc[n+]([O-])c5c4cccc5)=O	924
+COc1cc(Cl)c(cc1Br)C(=O)O	329
+Cc1c(cc2ccc(cc2n1)O)C(=O)OCC	342
+Clc1cc(c(C)cc1)C(=O)OCC	1533
+Clc1ccc(Cl)c(c1)CC(=O)O	270
+Clc1c(C(=O)O)cc(Br)c2c1CC(C)O2	329
+c1(c(c(C)ccc1)OCC(=O)O)COCCCNc2ccc3c(cccc3)n2	270
+c1ccccc1Cc2ccccc2CC(=O)O	270
+c1cc(ccc1)Oc2c(c(CC(O)=O)ccc2)OC	270
+c1cc(ccc1C(C2CCC2)=O)CC(O)=O	270
+c1cc(ccc1)COc2nn(Cc3ccccc3)cc2CC(=O)OCC	2418
+c1ccccc1Sc2ccc(cc2CC(=O)O)F	270
+C(OC(CC(c1cccc(c1)F)=O)=O)C	4469
+CCOC(=O)c1cc(c(c(OC)c1F)F)F	47
+CCOC(c1c(O)c(O)c(Br)cc1)=O	47
+c1cc(ccc1-c2nnn(C)c2COc3ccc(C(=O)OCC)nn3)F	2945
+[N+](c1cc(c(F)cc1F)CC(=O)OCC)([O-])=O	27
+c1(C)cc(C(OCC)=O)cnc1N2CC(C)NCC2	342
+C(C)OC(c1ccc([N+]([O-])=O)cn1)=O	226
+C(C)OC(c1cnc2c(ccc([N+]([O-])=O)c2)n1)=O	1910
+c1ccc2NC(=O)Cc2c1-c3cc(ccc3)Br	1052
+c1cc(ccc1-c2c3c(NC(=O)C3)ccc2)Cl	1052
+c1ccccc1CCCC(C(OCC)=O)C	27
+c1ccccc1COc2cnc(C(OCC)=O)cc2O	226
+n1n2c(N)nnc2c(c(CC)c1OCC)C	485
+c1cc(ccc1C2C(C2)CC(=O)O)Br	4292
+c1cc(ccc1F)-c2c(c(on2)C)C(OCC)=O	2366
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)C(=O)OCC	4474
+c1cc(ccc1-c2ccc(cc2)OCc3ccccc3)CC(C(OCC)=O)C(OCC)=O	11
+c1([N+]([O-])=O)cc(c(Cl)cc1F)OC(C(OCC)=O)CCBr	289
+c1cc(ccc1OCC2(Oc3cc(Cl)c(cc3C(C2)=O)OC(C)=O)C)CC(Cl)C(OCC)=O	1659
+c1(C)cc(C=CC(OCC)=O)cnc1Br	4476
+O(CC)C(C=Cc1ccc(N)cc1F)=O	233
+O(CC)C(C=Cc1ccc(cc1C)F)=O	233
+c1cc(CCC(OCC)=O)c(C)cc1Oc2cc(OC)ccc2C	159
+O=C(CNc1c(O)cc(c(Cl)c1)Cl)OCC	4477
+Clc1cc(-n2c3c(cc(OC)cc3)cc2)c(NCC(OCC)=O)cc1	1230
+c1cc(c(c(F)c1OCC(OCC)=O)NCc2c(OC)c(cc(-c3cc(F)ccc3)c2)C)F	52
+c1cc(ccc1)COC(C2Cc3c(CC2)n(c4c(Cl)cccc34)CC(=O)OCC)=O	256
+c1c(n(CC(=O)OCC)nc1Cl)Cl	764
+c1cc(ccc1Oc2c(cc(c([N+](=O)[O-])c2)NCC(OCC)=O)F)C(=O)OCC	945
+c1(nc(NC(OCC)=O)sc1)C(C(=O)OCC)=NOC	810
+C(OC(=O)Nc1c(F)ccc([N+]([O-])=O)c1)C	90
+c1c(c(NC(OCC)=O)ccc1C)[N+]([O-])=O	90
+n1n2c(c(O)ccc2)nc1NC(OCC)=O	977
+n1n2c(cc(Cl)cc2)nc1NC(OCC)=O	977
+Clc1c(n[nH]c1C(=O)O)C	6
+C#Cc1sc(c(C)n1)C(OCC)=O	4482
+n1n(cc(c1C(OCC)=O)C=O)-c2c(F)cccn2	2488
+C1CC12C(CN(c3c(F)cc(C(OCC)=O)c(F)c3OC)C2)NC(c4ccccc4)C	34
+c1cc(ccc1Cl)CNC(=O)c2c(c3c(c(F)c(F)c(F)c3)nc2)O	1556
+CCOC(=O)c1csc(-c2n(C)ncc2Cl)n1	697
+Clc1c(-c2nc(C(=O)O)cs2)n(C)nc1	6
+O=C(C(Cc1ccc(Cl)cc1[N+]([O-])=O)=O)OCC	2161
+O(CC)C(=O)C(F)CCn1c2nc(nc(Cl)c2nc1)N	637
+O=S(=O)(OCC1CC1C(OCC)=O)C	7
+c1(cc(I)ccc1)-c2nnn(n2)CCCN3CCCC(C(OCC)=O)C3	123
+c1cc(ccc1OCC(=O)N2CCCC(C(OCC)=O)C2)-c3ccc(cc3)C#N	10
+c1ccccc1-c2ccc(cc2)OCCCC(=O)OCC	8
+O=S(=O)(c1cc(OC)ccc1)NCCC(=O)OCC	71
+c1cc(ccc1C(=O)NCCC(=O)OCC)N2CCC(CC2)=O	14
+c1ccccc1Oc2ccc(cc2)OCC=O	598
+c1(-c2ncon2)cc(c(C)cc1)F	4492
+O=S(=O)(C)c1cc(Cl)c(C(C(=COCC)C(=O)CC)=O)cc1	4493
+N1(c2cc(C(=O)OC)cc(c2)-n3nnnc3)C(C=C(C=C1)C)=O	797
+c1ccccc1COC(NCCCn2c3c4ccccc4nc(Cl)c3nc2)=O	919
+c1ccccc1COc2cccc(c2)-c3cncc4cc(C(OCC)OCC)oc34	4495
+c1(c(C=O)[nH]c(c1)C(OCC)=O)C	413
+n1cccc(c1-c2ccc(cc2F)F)C(=O)OCC	140
+c1(c(C(OCC)=O)c[nH]n1)C=O	178
+COC(OC)c1c(Br)cnc(-n2cc(C(=O)OCC)cn2)c1	1706
+c1cc(ccc1-n2ncc(C(OCC)=O)c2)OCCCN3CCCC3C	568
+c1csc(c1)C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4C=O)c2	1557
+c1cc(ccc1-c2nc(cc(C)c2)-n3c(C)ccc3C)C=O	4502
+c1cc(ccc1)CC(NC(c2c(-n3cc4ccccc4n3)nccc2)=O)C(O)C(=O)NOCC	293
+c1ccccc1CN2C(C(NC(C(C(NOCC)=O)O)Cc3ccccc3)=O)CCC2=O	293
+c1cc(ccc1OC)C=Cc2cccc(I)c2	1265
+C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C	142
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(Cl)c3)Br	142
+c1c(Br)c(c(cc1CP(O)(OCC)=O)Br)Oc2cc(C(C)C)c(cc2)O	228
+CCOc1c(F)cc(c(N)c1Br)Cl	0
+C1CC1(c2ccccc2)N	4368
+c1cc(ccc1COCOC)-c2ccc(nc2)C(O)CC	2899
+C1CC1(c2ccc(cc2)C#N)N	2208
+CC(C)(c1c(c(Oc2ccccc2C)ccc1)OC)C#N	2451
+CC(c1ccc(OC)c(OC)c1)C(=O)OC	643
+C[Si](C)(C)CCOC(=O)N1C(CC(c2cc3c(ccc(c3)C=C)cc2)(OC)C1)C(OC)=O	76
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)COC	76
+Clc1cccc(c1)-c2onc(C3N(C(SC)=NC)CCCC3)c2	1956
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(cc(c(c2OC)N)Cl)F	1742
+FC(F)(F)C=1N(C)C(N(C(=O)C=1)c2cc(c(Br)cc2F)OCC=C)=O	1742
+FC(F)(F)CCc1c(ccc(C(C)=O)c1OC)OCCCOc2cc(ccc2)[N+]([O-])=O	65
+FC(F)(F)Oc1cc(N(C)S(=O)(=O)c2cccs2)c3c(c1)cc(C(=O)OCC)[nH]3	1214
+FC(F)(F)Oc1ccc(cc1)-c2cc3n(ccc3cc2)C	144
+FC(F)(F)Oc1ccccc1SC	2210
+FC(F)(F)c1c(c(OC)ccc1)F	65
+FC(F)(F)c1cc(ccc1)N2C(N(C)C(C(C(OCC)=O)=C2C)c3ccc(C#N)cc3Br)=O	1431
+FC(F)(F)c1cc(c(c(C(=O)OC)c1)C)[N+](=O)[O-]	272
+FC(F)(F)c1ccc(cc1)C2N(C(=O)N(C)c3ccccc3)CCc4c2cccc4	620
+FC(F)(F)c1ccc(cc1)C=Cc2occ(n2)C(N(c3ccc(cc3)CCCCn4ccnn4)C)=O	816
+FC(F)(F)c1cccc(c1)N2C(N(C)C(C=3C(CCC2=3)=O)c4c(cc(C#N)cc4)SC)=O	1431
+FC(F)(F)c1n(-c2cc(C=O)c(OC)cc2)nnn1	65
+FC(F)(F)C=1N(C)C(C(=NC=1)c2c(cc(cc2)Cl)Cl)=O	4511
+FC(F)Oc1cc(Br)cnc1OC	766
+Ic1n(C)c2CCNC(c2c1)=O	819
+O1CCOC1c2cccc(c2)C(C)(C)COC	76
+O=C1c2cccc(F)c2N(C)C(=O)N1c3c(C)c(ccc3)Br	620
+O=S(=O)(N(CCCC=C)C)CCC(OC)=O	693
+c1cn(C)c2nc(nc(Cl)c12)Cl	2211
+c1(Cl)c(F)cc2ccn(c2n1)C	2211
+c1ccc(-c2nc3ccccc3n2C)cc1Br	1652
+c1(cc(N(C(C)=O)C)ccc1)Br	239
+c1(ccnc(OC)c1Br)C	766
+CSc1nc(nc(SC)c1C#N)N	4512
+c1c(c(SC)c2ccccc2n1)N	2210
+c1cc(c(Br)nc1I)OC	542
+c1c(c(c(cc1C(=O)OC)O)Cl)OC	65
+COc1cnc(cc1)Br	542
+c1c(cccc1CCC(OC)=O)O	325
+c1(ccc(cc1OC)F)Br	65
+c1c(c(ccc1C(=O)C)CC)OC	65
+c1c(c(C(=O)O)c(c(F)c1)C)OC	1297
+c1cc(ccc1)C(CC=C)(COC)C	76
+c1cc(ccc1)COC(=O)c2c(C)n(C)c3ccc(cc23)OCCCl	144
+c1cc(ccc1)Oc2c(C(OC)=O)cc(C(=O)c3ncc(cc3)N(C)c4ccc(cc4)Cl)cc2	4085
+c1cc(ccc1Cl)-c2n(C)cc(C(OCC)=O)c2C	819
+c1cc(ccc1OC)-c2nsc(NC(=O)C3C(C)C3)c2C	65
+c1cc(ccc1C(N(C)Cc2cccc(c2)OC)=O)-c3cc(ccc3C)-c4nnc(C)o4	497
+c1cc(ccc1Br)C(C(=O)O)C	643
+c1cc(ccc1Br)C(C(=O)OCC)C	643
+c1cc(ccc1CNC(c2cnc3n(ncc3c2)C)=O)S(=O)(=O)c4ccccc4	2969
+c1cc(ccc1CCCOC)Cl	76
+CC(C)(OC)c1ccc(cc1)N2C(CC)=NC(CCC)=C(Cc3ccc(cc3)-c4ccccc4C#N)C2=O	76
+C1CN(CCC1(OC)Cc2c(F)cccc2)c3ccc(cc3)C(OCC)=O	76
+c1cc(ccc1[N+]([O-])=O)N(C)C(=O)CC	239
+c1cc(ccc1C2C(C(OCC)=O)N(C(=O)C2)C)OC	65
+CC(C)(C(OCC)=O)Oc1ccc(cc1)OCCC2N(C(N(Cc3cc(C)c(C)cc3)C2)=O)C	2972
+c1cc(ccc1Br)S(=O)(=O)N(c2cccc(OC)c2)C	418
+c1cc(ccc1Sc2ccc([N+](=O)[O-])cn2)CCC(=O)OC	325
+c1cc(ccc1)-c2n(C)c3c(cc(Br)cc3)c2CCCCC	144
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(CSc4ccccc4OC)OC	76
+c1ccccc1CCCN2c3c(N(C(=O)C(F)(F)C2)C)cnc(Cl)n3	998
+c1ccccc1COC(N(C)CC(=O)N(C)c2ccc(cc2)COC)=O	76
+c1ccccc1COc2ccc(Cl)c3cc(n(C)c23)C(=O)OCC	144
+c1ccccc1Cc2c3c(n(C)c2C)ccc(Br)c3	144
+c1nc(c2CN(C(=O)c3cc(ccc3-n12)F)C)C(=O)OCC	497
+CN(C)Cc1[nH]c2c(cc(Br)cc2)c1	729
+c1cc(ccc1NC(Nc2ccc(C(N(C)C)=O)c(c2)F)=O)Br	124
+CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2	15
+CN(C)C(=O)Oc1cc(F)ccc1C#N	2047
+CN(C)C(N(CCO)CCOc1ccc(cc1)C#N)=O	776
+c1cc(ccc1C#N)OCCN(C(=O)N(C)C)CC=O	24
+CN(C)C(=O)c1c(cc(N)cc1)F	0
+CN(C)C(c1oc2c(N3CCN(CC3)CCc4cc5c(cc4)N(CC5)C(C)=O)cc(cc2c1)F)=O	28
+c1ccccc1C(c2ccccc2)=Nc3c(c(C=4CCC(CC=4)N(C)C)ccc3)F	2017
+c1cnccc1-c2cc[nH]n2	927
+c1(cccc(C)c1-c2cc3c(cn2)[nH]cc3)C	2215
+c12c(cc(cc1Br)F)[nH]cc2	4526
+CN(C)Cc1[nH]c2ccc(cc2c1)C=O	146
+c1c(c(F)c(c(c1)C=O)Cl)OC	151
+CN(C)C=Cc1nc(O)ccc1C(C)=O	1693
+Clc1ccc2c(c1)[nH]c(c2C=O)C(=O)OCC	287
+FC(F)(F)c1c(c(C#N)ccc1)N	1572
+c1c(CCO)c(F)c(C=O)cc1	151
+c1c(F)c(c(cc1)F)-n2cc(C=O)c(n2)C	4530
+O=Cc1cc(Cl)c(N)cc1OC	146
+CN(C)C=Cc1c([N+](=O)[O-])cnc(c1)-c2c(C)cccc2C	1744
+O=Cc1[nH]cc(C)c1C	413
+O=Cc1cc(c(cc1C)CC)C(=O)O	1669
+CN(C)C=Cc1c(cc(F)cc1Br)[N+]([O-])=O	1744
+c12c(cccc1)C(=O)N(C2=O)CCSCc3oc(C=O)cc3	3421
+c1(C=O)ccc(c(CC)c1)Br	1669
+c1cc(ccc1)COc2cc(C(=O)OC)cc(n2)Cl	4534
+c1cc(ccc1)[Si](c2ccccc2)(Oc3cc(OC)c(c(c3)OC)C=O)C(C)(C)C	151
+c1cc(ccc1CCOCOC)C=O	146
+c1cc(ccc1-c2nn3c(cc(cc3)Cl)c2C=O)OC	2216
+c1(c(Br)cnc(Cl)c1)C=O	4457
+c1cc(ccc1)S(=O)(=O)n2c(C=O)cc3cccnc23	413
+CN(C)CCCC(C)=NO	350
+c1cc(ccc1ON=C(CCCN(C)C)C)[N+]([O-])=O	2890
+CN(C)CCCOc1c(C=O)cc(cc1)OC	72
+c1cc(ccc1OCCCN(C)C)C(=O)OC	72
+CN(C)CCCNc1c(cc(cc1)C)[N+](=O)[O-]	205
+CN(C)CCCNc1c(N)cc(cc1)C	0
+FC(F)(F)c1cc2C=CC(=O)N(CC(=O)Nc3scc(c3-c4ncn(CCCN(C)C)n4)Cl)c2cc1	4540
+CN(C)CCCOc1ccc(OC)cc1C=NCCc2ccccc2	853
+c1ccccc1CCNCc2cc(OC)ccc2OCCCN(C)C	1172
+CN(C)CCn1c2cc(Cl)ccc2c(c1)C(=O)OC	1277
+CN(C)CCOc1ccc(cc1)C(Cc2ccc(cc2)Cl)=O	72
+CN(C)CCNc1cc(cc(c1)F)-c2cncc(N)c2N	0
+CN(C)CCOc1c2c(Nc3ccc(c(Cl)c3)OCc4nccnc4)ncnc2ccc1	1111
+CN(C)CCOc1ccc(c(N)c1)[N+]([O-])=O	3915
+CN(C)CCOc1cc2C(C(C)(C)CC(c2cc1)c3ccc(cc3)Cl)Cl	525
+CN(C)CCOc1cc(c(cc1)N)N	0
+CN(C)CCOc1cc2c(C(c3ccc(cc3)Cl)CC(C)(C)C2O)cc1	74
+CN(C)CCn1cc(c2ccc(cc12)Cl)C(O)=O	1
+CN(C)Cc1cc2c([nH]1)ncc(c2)N	13
+CN(C)Cc1[nH]c2c(cc(-c3nc(c4c(OC)cc(OC)cc4n3)O)cc2)c1	748
+O=S(=O)(N(C)C)NC(=O)c1c(F)cc(C)c(F)c1	258
+c1cc(ccc1-c2c3ccccc3nc(c2C=CCO)N(C)C)F	2219
+CN(C)c1cc2C(=O)OC(=O)Nc2cc1	2081
+CN(C)c1cc2c(c(C#N)c(N)nc2cc1)NCc3sccc3	105
+CN(C)c1cc(c(N)cc1)C(O)=O	0
+CN(C)c1ccc(cc1)C=CC(=O)c2cc([N+]([O-])=O)c(c(c2)O)O	307
+CN(C)c1cc2c(Cl)c(c(N)nc2cc1)C#N	120
+CN(C)c1nc(nc(N(C)C)c1CC(OC)=O)Cc2ccc(cc2)[N+]([O-])=O	54
+CN(C)c1nc(nc(N(C)C)c1CC(OC)=O)Cc2ccc(cc2)NC(c3ccc(cc3)C(F)(F)F)=O	50
+CN(C)c1nc(nc(N(C)C)c1CC(OC)=O)Cc2ccc(cc2)N	0
+FC(F)(F)Oc1ccc(cc1)CC(=O)N2CCC(Nc3nc4c(sc5ccccc45)c(N(C)C)n3)C2	10
+CN(C)c1nccc(n1)Oc2cc(C)c3C(CC(O)=O)OB(c3c2)O	3
+N1CCN(c2c(cc3c(nc4c(c3)C(C(C(=O)O)=CN4C)=O)c2)F)CC1C	1998
+Clc1cccc(c1)-c2onc(C3CCCCN3C(=S)NC)c2	1383
+CN(C)c1ccc(c(c1)C(=O)O)[N+](=O)[O-]	202
+CN(C)CCOc1cc([N+](=O)[O-])c(cc1)N	28
+CN(C)CCn1cc(I)cn1	236
+CN(C)C(c1ccc([N+](=O)[O-])cc1F)=O	30
+CN(C)Cc1c(C(NCc2cc(F)c(cc2)F)=O)c3ccc(OC)cc3n1Cc4ccccn4	315
+CN(C)C(=O)c1[nH]c2c(c1)cc(cc2)Br	147
+c1ccccc1CCCCN(C)C	28
+c1ccccc1S(=O)(=O)n2c(cc3cc(cnc23)[N+]([O-])=O)CN(C)C	315
+c1cc(ccc1-c2c(C=O)c(nc3ccccc23)N(C)C)F	286
+c1cc(ccc1C(c2ccccc2)=O)OCCCCCN(C)C	28
+CN(C)c1nc(nc(Cl)c1CC(=O)OC)Cc2ccc(cc2)[N+]([O-])=O	54
+c1cc(ccc1Cl)C2c3nc(nc(N(C)C)c3CC2)Cl	54
+CN(C)CCC(Nc1ccc(cc1)Nc2nc(c(cn2)Br)Nc3ccccc3)=O	2454
+c1cc(ccc1Nc2ncnc(N(C)C)c2)C(O)=O	54
+c1ccccc1N2C(C(CC2=O)CN(C)C)c3cccc(OC)c3	236
+CN(C)C(=O)c1cn2c(nnc2c(NCc3c(cccc3CC)C)c1)C	211
+CN(C)c1cc(ncn1)Cl	54
+CN(C)c1c2c(c3ccccc3s2)nc(Cl)n1	2094
+C1CCCC1c2noc3c(O)nc(nc23)-c4c(ccc(c4)S(=O)(=O)N(CCc5cc(OC)c(cc5)OC)C)OCC	92
+c1cc(Br)c(Cl)cc1CN(C(C)=O)C	10
+COc1cc(C(=O)OC)c(cc1Br)Cl	128
+C[Si](C)(C)OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC)(c2ccc(Cl)c(Cc3ccc(cc3)OC(F)(F)F)c2)OC1CO[Si](C)(C)C	2979
+Cc1ncc(C(=O)OC)c(OC)c1Cl	260
+N#Cc1[nH]cc(c1)C(=O)OC	4467
+Clc1c(C(OC)=O)cc(c(Cl)n1)F	342
+S(C)c1cc(c(cc1[N+]([O-])=O)Cl)OC	556
+C(=O)(c1cc([N+]([O-])=O)c(cc1Cl)O)OC	128
+c1(nc(N)cc(OC)c1)C	260
+Clc1ccc2c([nH]cc2C(=O)OC)c1	342
+FC(F)(F)C1(CCC(CC1)(C(OC)=O)N)OC	27
+FC(F)(F)c1c(C=O)ccc(c1)N	1179
+FC(F)(F)c1cc(Oc2cc(C(OC)=O)ccc2)ccc1	47
+FC(F)(F)c1ccc(cc1)-c2ccc(c(COC)n2)C(OC)=O	1896
+FC(F)(F)c1c(c(Cl)ccc1)C(OC)=O	128
+FC(F)(F)c1cc(C(OC)=O)n(n1)-c2ccccc2	128
+FC(F)Oc1cccnc1OC	91
+Fc1c(F)c(c(F)c(F)c1C(OC)=O)N	47
+c1(OC)cc(C(=O)O)cc(c1)F	57
+N1(c2c(C(=O)N(c3ccc(nc13)F)C)cc(CCO)cn2)CC	1745
+Nc1cc(c(C(=O)OC)cc1Cl)O	128
+C(c1cc(OC)cc(F)c1)C(=O)O	479
+c1(cc2c(cc1)N(C(=O)N(C2=O)CC)CC)C(=O)OC	2656
+c12c(cc([N+]([O-])=O)cc1C(OC)=O)cccc2	128
+O=S(=O)(C)c1cc(c(cc1)C(=O)OC)Cl	47
+O=S(=O)(N)c1cc(c2OCCOc2c1)C(OC)=O	47
+O=S(=O)(N1CCN(CC1)C)c2ccc(c([N+](=O)[O-])c2)OC	556
+c1(nccs1)CN2c3cnc(c(O)c3C=C(Br)C2=O)C(=O)OC	3843
+O=S(=O)(C)c1nccc(C(CC(OC)=O)NC(c2cncc3c2cnn3-c4ccc(cc4)F)=O)c1	167
+C(=O)(OC)C(C)c1cc(c([N+]([O-])=O)cc1F)F	27
+c1cccc(Sc2c(cccc2)OC)c1C(OC)=O	128
+c1(Cl)c(Cl)ncc(c1)C(=O)OC	342
+Cc1nc(c(cc1F)C(=O)OC)OC	91
+c1(Cl)c(cccn1)C(=O)OC	342
+n1cccc(C(=O)OC)c1OC	91
+c1(c(OC)ncc(c1)C(=O)OC)[N+]([O-])=O	91
+c1(F)c(F)c(c(cc1)CC(OC)=O)C	27
+O=C(C(=O)C=Cc1ccc(c(F)c1)Br)OC	4546
+c1([N+]([O-])=O)ccc(nc1)C(=O)OC	226
+c1(c(Br)c(C)cc([N+]([O-])=O)c1)CC(OC)=O	27
+c1(c(Br)cc(c(C(OC)=O)c1)F)F	47
+c1(cc(C(=O)OC)c(cc1Br)OC)F	57
+O(C)c1c(NC(OCC)=O)c(F)cc(Cl)c1[N+](=O)[O-]	57
+c1c(C(OC)=O)nccc1-c2ccc3cc(OC)ccc3c2	128
+c1(ccnc(OC)c1Br)C	91
+c12c(ccc(c1)O)C(CC2)C(OC)=O	1643
+c1cc(ccc1)COc2cc(c(Cl)c(c2)Cl)OC	556
+C(CCC(Nc1cccc(C)c1C)=O)(OC)=O	167
+c1c(c(Cl)cc(Cl)c1Cl)C(=O)O	4547
+C(c1cc(ccc1O)O)(=O)OC	47
+c1c(cc(cc1F)C(CC(OC)=O)N)Br	27
+c1c2c([nH]cc2CCC(OC)=O)ccc1	27
+c1(OC)ccc(nc1OC)I	640
+C(c1ccc(Cl)nc1Cl)(=O)OC	342
+c1cc(cc(CCCCCC)c1OC)C(=O)OC	47
+c1cc(cc(N)c1)Oc2ccnc(C(OC)=O)c2	128
+c1ccccc1Cn2c(nc3c(N)nc(NCCOC)nc23)OC	1010
+c1cc(ccc1)N2C(c3cccc(c3)OC)C(C(OC)=O)CC2=O	27
+c1cc(ccc1C(C)C)NC(=O)c2ccc(nc2)OC	91
+c1cc(ccc1CNC(=O)c2c(c3cc(c(c(OC)c3nc2)F)F)O)Cl	4548
+c1cc(ccc1N2CC(C(=O)OC)CC2=O)C	167
+c1cc(ccc1C(=O)OC)Nc2ncnc(N(C)C)c2	128
+c12c3c(cccc3)ncc1nc(CCC)n2CCCC(OCC)=O	730
+O=S(=O)(c1ccc(N2CCC(C2)OC)nc1)Cl	4553
+COC1CCN(c2ccc(N)cn2)C1	13
+c1cc(ccc1C(COC)(COC)C(OC)=O)O	2986
+FC(F)(F)COc1cc(c(C(CBr)=NOC)nc1)Cl	1213
+c1(cc(cc(Cl)c1CCC=NOC)Cl)Cl	410
+c1ccccc1[Si](c2ccccc2)(N3C(CC3C=NOC)=O)C(C)(C)C	410
+COP(OC)(CC(=O)C(CCCc1ccccc1)C)=O	3978
+C1CC(CCC1=CC(=O)OC)(c2ccc(cc2)Br)CO	1513
+COc1c(cc(cc1C)Br)C(=O)O	1
+COc1c(cc(cc1Cl)F)C(=O)C	155
+c1c2c(cc(cc2)-c3c4c(OC)c(ccc4[nH]n3)Br)ccc1	1216
+COc1c(C=C)cc(Cl)c(c1)C(=O)O	1
+FC(F)(F)C(c1cc(Cl)c(c(Cl)c1)Cl)C=Cc2cc(c(C(=O)O)cc2OC)Cl	2517
+c1(C)c(OC)c(Cl)c(CO)nc1	813
+Nc1c(C(=O)C)cc(c(c1)CC)OC	0
+c1(cc(C)c(OC)c(c1)C(=O)O)-c2cc(F)ccc2	11
+c1(cc(cc(Cl)c1OC)F)C(C)N	474
+c1n(c(nc1)Sc2ccc(cc2Cl)Nc3c4c(cc(c(OC)c4)F)ncc3C#N)C	179
+NC(=S)Nc1cc(c(cc1)-n2cnc(Cl)c2)OC	1099
+COc1cccc2c(C(=O)C)c[nH]c12	432
+COc1c(C=C)cc(Cl)c(C(=O)OC)c1	2225
+c1cc(ccc1C(=O)c2c(cc(OC)c(Br)c2)Cl)OCC	358
+[N+](c1cc(c(NC(C)=O)c(c1)O)Br)([O-])=O	5
+Nc1cc(c(cc1)-c2cnco2)OC	0
+Nc1cc(c(cc1)-n2cnc(Cl)c2)OC	0
+COc1cc([N+]([O-])=O)ccc1-n2cnc(Cl)c2	2067
+c1c(OC)c(c(cc1C2c3cc4c(OCO4)cc3C(C5C2COC5=O)N)OC)O	18
+c1cc(ccc1C(c2cc(OC)c(c(OC)c2)OC)=O)OC	222
+c1cc(C#N)c(cc1F)O	5
+O1c2c(C(NCC1)=O)ccc(c2)O	5
+c12c(C(C(=O)O)CC1)ccc(c2)O	5
+c1cc(ccc1)CN2CC(Nc3nc4c(cc(OC)cc4)c(c3)C)CC2	554
+c1cc(ccc1)Nc2c3c(nc(Cl)n2)ccc(OC)c3	73
+c1(cc(C(c2c(C(O)=O)cc(OC)cc2)=O)ccc1)OC	2227
+COc1cnc(cc1)COC(C)=O	174
+[N+](c1cc(ccc1Br)O)([O-])=O	5
+CCOC(=O)C=Cc1c(cc(Oc2cc(OC)ccc2C)cc1)C	46
+c1cc(C(=O)NNC(=O)c2cccc(c2)OC)cc(c1)I	1601
+c1c(c(c(cc1)OC)F)CN	817
+c1c(cccc1OCC2Cc3c(CC2)cc(cc3)C4CCC5(COC(N5)=O)C4)OC	267
+c1cc(ccc1F)OC2CCN(CC2)CCCn3cc(c4cccc(OC)c34)C(C)=O	53
+c1ccc(O)c2cnsc12	5
+[n+]1(c(C)ccc(OC)c1)[O-]	341
+COc1cnc(cc1)Nc2ccn(C)n2	834
+O=S(=O)(c1cc2OC(COc2cc1)CO)C	4567
+c1(c(N)c(cc(c1F)F)Br)CSC	4569
+C(SC)CNCCSC	15
+c1(c(C#N)c(S(=O)C)nc(n1)N)SC	1056
+C[Si](C)(C)C#Cc1c(C)cc(cc1)C(CC)(CC)c2cc(C)c(C(OC)=O)cc2	2823
+C[Si](C)(C)C#Cc1cc(NNC(OC)=O)c(cc1)Cl	263
+C[Si](C)(C)C#Cc1ccc(cc1)C(OCC)=O	263
+C[Si](C)(C)C#Cc1c(cccc1)C(C(=O)N)C	311
+c1ccccc1C(c2ccccc2)(c3ccc(cc3)OC)OCC4C(O)CC(N5C=C(C#C[Si](C)(C)C)C(NC5=O)=O)O4	3589
+C(C)C(CC)(c1ccc(C(OC)=O)c(C)c1)c2cc(c(cc2)C#C)C	75
+C(=O)(C(c1ccccc1C#C)C)N	75
+c1ccccc1-c2c3c(C#C)nc(c(O)c3on2)C(OCC)=O	75
+c1(Cl)ccc(cc1NNC(OC)=O)C#C	75
+C1CC1N(C)Cc2c(C(=O)OC(C)C)ccc(c2)C#C	75
+c1cc(ccc1C#C)C(OCC)=O	75
+C1CC1COc2ccc(nc2)C#C	75
+c1c(F)c(ccc1F)C(Cn2ncnc2)(C(C)C=3C=C[N+](=O)C(C=3)=C=[N-])O	1269
+C[Si](C)(C)CCOC(=O)N1CC(=O)CC1C(=O)OC	86
+C[Si](C)(C)CCOC(=O)N1CC(c2cc3cc(C=C)ccc3cc2)(CC1C(OC)=O)O	251
+C[Si](C)(C)CCOCn1c2ccc(cc2c(n1)C(=O)N(OC)C)[N+](=O)[O-]	1433
+C[Si](C)(C)CCOCn1c2ccc(Br)cc2cc1	3374
+c1ccccc1CN(Cc2ccccc2)CC(c3cc(NC=O)c(OCOCC[Si](C)(C)C)cc3)O	175
+c1ccccc1COc2c(Br)c(O)cc(-c3oc(C)cn3)c2	1434
+c1ccccc1COCC2Oc3c(OC2)ccc(CCNCC(O)c4ccc(c(c4)NC=O)O)c3	1434
+C[Si](C)(C)CCOCOc1c(Br)c(OCc2ccccc2)cc(c1)-c3oc(cn3)C	2996
+C[Si](C)(C)CCOCOc1c(cc(C(CNCCc2ccc3c(OC(COCc4ccccc4)CO3)c2)O)cc1)NC=O	132
+C[Si](C)(C)CCOCn1c2ncnc(-c3ccc(cc3C)C)c2c(c1)C(=O)N	393
+C[Si](C)(C)CCOCn1c2ccc(cc2cc1)C(c3ccccc3C#N)O	257
+C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c4c1ccc([N+]([O-])=O)c4	567
+C[Si](C)(C)CCOCn1c2ccc([N+](=O)[O-])cc2c(C=O)n1	2231
+C[Si](C)(C)CCOCn1c2ccc(C(=O)c3ccccc3C#N)cc2cc1	335
+n1cnc2[nH]cc(C#N)c2c1-c3ccc(C)cc3C	762
+C[Si](C)(C)CCOCn1c2ncnc(-c3c(C)cc(cc3)C)c2c(c1)C#N	1014
+C1CN(CCC1c2ccc(c(C3=CCCCC3)c2)NC(=O)c4nc(c[nH]4)C#N)C(NCCO)=O	503
+CC1(C)CCC(=CC1)c2c(cc(C(=O)C)cc2)NC(c3nc(c[nH]3)C#N)=O	503
+C[Si](C)(C)CCOCn1ccc2c1ncnc2-c3cn(C(CN4CC(C(CC4)OC(=O)c5ccccc5)F)CC#N)nc3	1647
+C[Si](C)(C)CCOCn1ccc2c1ncnc2-c3cn(C(CC#N)CN4CC(F)C(O)CC4)nc3	682
+C[Si](C)(C)CCOCn1c2c(c(-c3nc4ccccc4[nH]3)n1)cc(N)cc2	0
+c1(c(F)c(c(c(OC)c1)F)N2C(C3(CC3)c4c(cnc(-c5n[nH]cc5[N+]([O-])=O)c4)C2)=O)OC	928
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)C(OC)=O	19
+c1cc(ccc1)Cc2cn(c3c2cccc3)CCN(C(=O)N)O	3595
+FC(F)(F)c1ccc(-n2c(nnn2)COC(C)=O)cc1C#N	3779
+c1cc(ccc1F)-c2oc3ccc(cc3c2C(NC)=O)-c4cccc(-c5nnn[nH]5)c4	1711
+c1ccccc1CN2CCC(CC2)c3nnnn3C	4199
+C1CC1N2CCC(CC2C)Nc3nc(-c4c(Cl)ccc(O)c4)nc(-c5c(C)noc5C)c3C	3001
+C[Si](C)(C)OCC1OC(c2cc(c(Cl)cc2)Cc3ccc(cc3)OC(F)(F)F)(OC)C(C(C1O)O)O[Si](C)(C)C	353
+C[Si](C)(C)OC1C(C(CO[Si](C)(C)C)OC(c2cc(c(Cl)cc2)Cc3ccc(cc3)OC(F)(F)F)(OC)C1O[Si](C)(C)C)O	353
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)COC	21
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)CO	88
+FC(F)(F)Oc1ccc(cc1)Cc2c(Cl)ccc(C3(OC(CO)C(O)C(O)C3O[Si](C)(C)C)OC)c2	353
+C[Si](C)(C)OCCCNc1nc2N(C(=O)C(=Cc2cn1)c3c(Cl)cc(-c4nc(C)cnc4)cc3)CC	96
+c1ncc(-c2cc(Cl)c(C3=Cc4c(N(C3=O)CC)nc(nc4)NCCCO)cc2)nc1C	353
+CC1(C)C(N(C)c2c(c(ccc12)I)F)=O	1058
+c1cc(ccc1C)S(=O)(=O)OCCC[Si](C)(C)CCCC	36
+Clc1ccc2ccc(COc3cc4c(OCc5c(C4SCCc6nnn[nH]6)cccc5)cc3)nc2c1	4049
+FC(F)(F)C(CC(=O)c1ccc(-c2occc2)c(C)c1)=O	1219
+c1ccc(C)c2cc[nH]c12	4192
+CC1(C)Cc2c(C)cc(C)c(C)c2O1	1658
+Cc1nn(-c2c(cccc2F)-c3nccn3C)cc1C=O	576
+O=S(=O)(NCCCCC)NC(=O)C=Cc1c(C)nn(C)c1-n2ccc3cc(ccc23)Cl	4596
+c1cc(ccc1OC)-c2c3n(nc2C)c(cc(N4CCCC4CO)n3)-c5cc(ccc5)Cl	3003
+c1cc(ccc1)COc2c(cc(C(=O)C)c(n2)C)C#N	1424
+Cc1c(cc(C(=O)O)c(O)n1)C(=O)C	4598
+Cc1c(ccc(O)n1)C(=O)C	1220
+n1c(C)ccc(Br)c1O	2005
+Cc1c(cc2ccc(cc2n1)OCc3cc(Cl)ccc3)C(=O)OCC	139
+Cc1c(cc2ccc(cc2n1)O)C(=O)O	5
+c1c(C(=O)OC)ccc(c1C)-c2ccccc2OC	11
+O=S(=O)(C)c1nc(c(C)c(n1)Cl)NCc2c(nc(C)s2)C	737
+O=C1c2c(C(=O)N1C(CC(C)C)COc3cc4N(C(c5c(ccnc5C)-c4cc3)=O)C)cccc2	556
+c1cc(ccc1CNCc2c(-c3c(cccc3F)OC)nc4c(cccc4C)c2)OC	249
+[N+](=O)(c1cc(OC)c(C)cc1OC)[O-]	77
+Cc1cc(cc(C)c1)-c2c(C(C)CN)c3c(ccc(C(C)(C)C(=O)OCC)c3)[nH]2	3005
+c1(cc(cc(C)c1-c2cccc(CNc3ccc(c(c3)F)CCC(O)=O)c2)OCCOCC)C	3
+Cc1cc(cc(C)c1-c2cc(CO)ccc2)OCC3(CCSCC3)O	41
+c1c(C)c(c(cc1C)C)Oc2nc(cc(c2C)Cl)C	136
+c1(cc(C)c(F)c(c1)C(=O)O)-c2cc(F)ccc2	11
+c1(Cc2[nH]nc(NC=C3c4ccccc4NC3=O)c2)cc(ccc1)C	4604
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C	331
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(N)=O)n(C)n4	1612
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(C)c(C(O)=O)n(C)n4	6
+N(O)C(c1cc(c(C)cc1)F)=N	181
+Cc1ccc2c(ccc(NC(C)=O)n2)c1	4605
+c1(cccc(C)c1CCCO)C	213
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(no3)-c4cc(F)c(C(OC)=O)cc4	529
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(-c4cc(CO)ccc4)no3	529
+Cc1ccccc1-c2c(COC)cc(C(=O)O)cc2	1
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(no3)-c4cc(F)c(cc4)C(=O)O	1
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(no3)-c4cc(c(C(N(CC(=O)OC)C)=O)cc4)F	4171
+ClC(Cl)(Cl)C(c1ccc2CN(C(=O)c3ccc(cc3OC)-c4ccccc4C)c5c(Cn12)cccc5)=O	1053
+c1(C)nc(cc(C)c1)Cl	4466
+O=S(=O)(C)OCCCOc1ccc(Cc2c(C)nc(nc2NC(CCC)CCOC(=O)C)N)c(OC)c1	7
+O(c1c(C(=O)O)cc(F)c(C)n1)C	1
+Cc1nc(ccc1C(Nc2ccc(Cl)c(-c3ncccc3)c2)=O)Cl	246
+Cc1nc(-n2nccc2)ccc1C(Nc3ccc(Cl)c(-c4ncccc4)c3)=O	1706
+Cc1nc(N2CC(NCC2)C)ccc1[N+]([O-])=O	43
+c1(C)nc(nc(C)c1)-c2ccc(cc2)Cl	345
+Cc1nc(nc(C)c1)NCCCCCNCCC#N	1287
+Cc1nc(nc(C)c1)NCCCCCN(C(=O)CCCCCCCCCCCCC)CCCN	51
+c1cc(ccc1Cn2ccc(-c3sc(C(NCc4cnccc4)=O)c(C)n3)n2)Cl	309
+c1ccccc1C(C)(C)Cn2nc(-c3sc(C(NCc4cnccc4)=O)c(C)n3)cc2	2441
+c1ccccc1Cn2c3C(=O)NC(=O)N(C)c3nc2C	371
+O(C)c1c(CO)cnc(C)c1Cl	295
+COc1c(Cl)c([n+](cc1C)[O-])C	341
+Cc1c(CO)cn(n1)-c2c(cccc2F)-c3nccn3C	536
+c1c(OC)c(c(cc1NC(=O)CN2CCCC(N3c4c(-c5noc(C)c5C3=O)c(ccc4)Cl)C2)OC)OC	1228
+Clc1cc(c(c(Cl)c1)Cl)Br	594
+O=S(=O)(Cl)c1cc(c(Br)cc1)C#N	929
+ClC(Cl)(Cl)C(c1c[nH]c(C#N)c1)=O	432
+ClC(Cl)(Cl)C(c1ccc2n1Cc3c(N(C2)S(=O)(=O)c4ccc(cc4)Br)cccc3)=O	1053
+ClC(Cl)(Cl)C(c1ccc2CN(c3ccccc3Cn12)C(c4ccc(cc4)C=5CCCCC=5C)=O)=O	1053
+CC(C)(NS(=O)(=O)C)Cn1c2c(nc1COCC)c([n+](c3ccc(OCc4ccccc4)cc23)[O-])N	2885
+N(C(C=NO)=O)c1c(Cl)cc(cc1)F	1048
+c1cc(ccc1Br)S(=O)(=O)N2c3ccccc3Cn4c(C2)ccc4C(=O)NCc5cnccc5	4617
+ClC(Cl)(Cl)COC(=O)N1C2Cc3ccc(cc3C4(CC1)CCCCC24)C(=O)C	1142
+C12CCCCC13CCNC2Cc4ccc(C(=O)C)cc34	4618
+ClC(Cl)(Cl)COC(=O)Nc1cc(C(C)(C)C#N)nn1-c2cccc(c2)OCCO	168
+c1(OC)cc(F)cc(c1)CCl	1331
+FC(F)(F)Oc1ccc(cc1S(=O)(=O)C)N=C=O	1044
+c1c2c(C(=O)OC(N2)=O)c(Cl)cc1	1754
+O=C1c2c(c(F)ccc2)NC(N1c3c(C)c(ccc3)Br)=O	1061
+ClC(Cl)=C(c1cc(cc(C(=C(Cl)Cl)Cl)c1)CN=[N+]=[N-])Cl	545
+ClC(Cl)=C(c1cc(cc(C(=C(Cl)Cl)Cl)c1)Cn2c(c(C(=O)N)nn2)N)Cl	4621
+O=S(=O)(C)c1sc(N=C=O)nn1	775
+FC(F)(F)Oc1ccc(cc1N=C=S)S(=O)(=O)N	333
+c1(N=C=S)c(c(F)ccc1)F	333
+c1cc(ccc1CC(=O)OC)Oc2cc(N=C=S)ccc2	333
+ClC(Cl)C(=O)NC(CF)C(O)c1ccc(cc1)I	271
+c1cc(ccc1S(=O)(=O)NCC2Cc3c(cc(C=O)cc3)C2)Cl	582
+O=Cc1ccc(c2c(C)cccc12)O	582
+c1c(ccc(OC)c1Sc2ccccc2C(OC)=O)C=O	582
+ClC1(Cl)CC1(C)C(=O)Cl	130
+ClCC(CCl)Oc1c(cccc1)[N+]([O-])=O	57
+O=S(=O)(c1[nH]nc2c(OC(CCl)CCl)cccc12)c3cccc4ccccc34	1025
+O=S(=O)(c1c2c(ccc1)cccc2)Cc3cccc(c3[N+](=O)[O-])OC(CCl)CCl	1177
+C1CN(CCC12C(=O)Nc3cccc(Br)c23)Cc4ccccc4	4628
+Clc1c(C(OC)=O)cc(c(Cl)n1)F	1170
+NC(N)=Nc1nc(cs1)-c2cccc(n2)CCl	515
+O=S1(=O)Nc2ccccc2CN1CCCCl	723
+c1(CC)c(ccc(CCl)c1)Br	229
+c1(CCl)ccnc(Cl)c1C	229
+c1cc(ccc1)C=CS(=O)(=O)Nc2cccc(c2)C=CC(=O)Cl	1755
+c1cc(ccc1CC(OC)=O)CCc2nc(NC(=O)C)sc2	3979
+c1cc(ccc1N(CC)CCCl)Nc2ncnc(c2)-c3cc(ccc3)-c4ccccc4	723
+c1ccccc1Sc2ccc(cc2C)CCl	229
+ClCc1nc(nc(Cl)c1)-c2ncccc2	64
+c1cc(ccc1OCc2ccccn2)C(OCC)=O	412
+O=S(=O)(C)Nc1cc(NC(=O)OCC)c(F)cc1Cl	1550
+c1c(C)cc(Cl)c(N)c1[N+]([O-])=O	1550
+c1(Cl)nc(nc(c1I)N)C	2906
+c1c(ccc(Sc2cc(C(Cl)=O)ccc2[N+]([O-])=O)c1F)F	3011
+O=S(=O)(c1nc2nc(C)cc(n2n1)Cl)Nc3c(cccc3Cl)Cl	4636
+FC(F)(F)c1c2nc(n(C)c2c(cc1)C(CC)CC)Cl	1088
+FC(F)(F)c1c2c(ncnc2Cl)sc1	779
+n1c(Cl)c(c(nc1)COC)C	64
+O1CCOC12CCc3c4c(sc3C2)ncnc4Cl	779
+O=S(=O)(Cl)c1cc2c(ncc(Cl)c2cc1)Cl	137
+c1cc(ccc1-n2c3ncnc(Cl)c3cn2)S(=O)(=O)C	1203
+c1cccc(-c2nc3c(ccc(C)c3)c(Cl)n2)c1OC	64
+n1c(C)nc(Cl)cc1N	64
+c1([N+]([O-])=O)ccc2c(c(cc(Cl)n2)C)c1	532
+c1([N+]([O-])=O)ccc2ncc(C#N)c(c2c1)Cl	120
+c12c([N+]([O-])=O)cccc1c(ncn2)Cl	64
+c12CCCc1ncnc2Cl	64
+c1(-c2cccc(OC)c2)c3ccc(OC)cc3c(Cl)nn1	218
+Clc1ccnc2nc(C)ccc12	3014
+Clc1ccnc2c1ccc(CCC)n2	3014
+n1c(nc(-c2c(cccc2)OC)cc1Cl)CC	64
+c1c(cc2c(c([N+]([O-])=O)cnc2c1)Cl)Br	120
+c1c(ccc(c1F)-c2[n+](c(ccc2C(=O)OCC)Cl)[O-])F	375
+c1(nc2cccc(Cl)c2[nH]1)Cl	3013
+c1(cc(F)ccc1Oc2c3c(nc(cc3)Cl)ccc2OC)F	532
+c1cc(ccc1)CN2Cc3ccc(nc3C(C)(C)C2)Cl	137
+c1cc(ccc1)-c2c(nc(SC)nc2)Cl	64
+Clc1cc(OC(C)C(OC)=O)c(cc1)CCl	109
+FC(F)(C(=O)Nc1cccc(OC(CCCCCCCCCCCC)C(=O)Cl)c1)C(F)Cl	130
+FC(F)(F)c1c(C#N)cc(-n2nnnc2CCl)cc1	2176
+c1(c(C#N)cccc1C(Cl)=O)C	82
+N1=NN(c2c(Cl)ccc(C(Cl)=O)c2Cl)C(=O)N1C	82
+O(C)c1c(CCl)cnc(C)c1Cl	447
+O(c1c(CCl)cc(F)c(C)n1)C	447
+C1(CCCc2cc(Oc3ncc(cc3)C(=O)N)ccc12)Cl	525
+O=S(=O)(C)Nc1cc(ccc1)C(C)Cl	525
+O=S(=O)(c1ccc(c(c1)C(=O)O)Cl)N2CCC(CC2)CCl	221
+O=S(=O)(c1c(nccc1)C(=O)Cl)CC	1077
+[N+]([O-])(c1cc(-n2nccc2)c(Cl)nc1)=O	4496
+c1cc2c(c(C(=O)Cl)c1)ccc(Oc3ccnc4c3cc(c(OC)c4)OC)c2F	82
+c1(ccccc1Oc2cccc(CCl)c2OC)C	109
+c1c(Br)c(OC(C(Cl)=O)CCC)ccc1	130
+c1c2c(ccc1)c(C)ccc2C(Cl)=O	82
+c1c(cc(CC(Cl)=O)c(C)c1)Br	130
+c1c(cc(c(c1)Cc2c(nn(-c3c(Cl)ccc([N+]([O-])=O)c3)c2C(Cl)=O)CCCC)F)Br	1077
+c1cc(c(cc1I)CCl)Br	109
+c1cc(ccc1)CN2CCC(C2)CCl	221
+c1cc(ccc1)COc2ccc(C=CC(Cl)=O)cc2OC	3020
+c1cc(ccc1Cl)-c2ccc(C)c(c2)CC(=O)Cl	130
+c1ccccc1-c2ccc(cc2)-c3nocc3CCl	1703
+c1cc(ccc1C(C(C)C)C(Cl)=O)N=[N+]=[N-]	130
+c1cc(ccc1C(=O)Cl)NC(c2c(C)cccc2)=O	82
+c1cc(ccc1OC(C)C(=O)OC)CCl	109
+c1cc(ccc1Cl)C(=O)c2cccc(c2C)C(Cl)=O	82
+c1cc(ccc1Cl)C(Cl)c2cccc(c2)Br	1440
+c1cc(ccc1F)-n2nc(c(OCC)c2)C(=O)Cl	1077
+c1cc(ccc1N2C=CC=CC2=O)C(=O)Cl	82
+c1cc(ccc1C(Cl)=O)-c2ccc(cc2)OCCCCCCCCCC	82
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(=O)Cl	130
+c1cc2c(cccc2)nc1COc3cc(CCl)ccc3	109
+c1ccccc1Sc2ccc(F)cc2CCl	109
+O=Cc1ncc(-c2c(Cl)cc(cn2)C(=O)OC)cc1	501
+c1cc(ccc1OCC)C(=O)c2cc(c3c(c2Cl)CC(O3)C)Br	358
+c1cc(ccc1F)S(=O)(=O)N2c3cc(c(C)cc3CCC2)NC(c4c(F)cccc4Cl)=O	50
+c1(Cl)c(cc(F)c(C)n1)C(=O)OC	4650
+Clc1c(CC)c(F)ccc1	1393
+c1(ccc(F)c(CC)c1Cl)C(=O)C	94
+Nc1ccc(C(=O)c2ccccn2)cc1[N+]([O-])=O	4651
+C1CC1NS(=O)(=O)c2c(ccc(NC(=O)Nc3c(Cl)c(ccc3)Cl)c2O)Cl	124
+O=S(=O)(NC(=O)c1c(cc(COc2cc(c(C#N)cc2)Cl)c(F)c1)F)N(C)C	22
+Clc1c(ccc(C(=O)C)c1)Br	1024
+FC(F)(F)COc1cc(Cl)c(C(C)=O)nc1	4655
+Clc1cc(-n2c3c(cc(OC)cc3)cc2)c(NCC(=O)O)cc1	3
+Clc1cc2c(N=C(c3cc(nn3-c4ncccc4Cl)Cl)OC2=O)c(C)c1	2241
+Clc1cc2c(N=C(c3n(nc(Br)c3)-c4ncccc4Cl)OC2=O)c(C)c1	4656
+Clc1ccc(c(C(Nc2ncc(-c3cc(C)c(cc3)C)nc2)=O)c1)[N+]([O-])=O	1542
+Clc1ccc(c(C(Nc2nn(cc2)-c3ccc(c(C)c3)C)=O)c1)[N+]([O-])=O	330
+FC(F)(F)c1c2c(n(c(n2)Oc3c(C)cc(Cl)cc3Cl)C)c(C(CC)CC)cc1	2200
+c1cc(ccc1)C#Cc2nc(cc(Cl)c2)N	2351
+Clc1cc(c(cc1)CN2C(=O)C=CC(Br)=C2)F	4659
+Clc1cc(c(CO)cc1)OC(C)C(OC)=O	41
+c1(O)cc(Cl)c(cc1N)Cl	0
+c1cc(ccc1N2C(c3c(C2)ccc(Cl)c3)=O)C(C)C	1473
+Clc1cc(c(cc1)-n2nnnc2)C(=O)O	1441
+Clc1cc(c(cc1)N)C(Nc2ccccc2Cl)=O	67
+Clc1ccc(N)c(C(O)c2c(OCC)c(ccc2)OC)c1	488
+c1cc(ccc1)-c2ccc(cc2F)Cl	4665
+CCOc1c(F)cc(Cl)c([N+](=O)[O-])c1Br	31
+Clc1cc([N+]([O-])=O)c(SC)cc1Cl	411
+OB(O)c1cc(cc(Cl)c1Cl)Cl	422
+Clc1cc(c(cc1)-n2nnnc2)C(N(OC)C)=O	280
+Clc1ccc(c(C=O)c1)-n2nnnc2	760
+c1cc(ccc1OC)C=2C=CC(N(C=2)Cc3c(cc(Cl)cc3)F)=O	2243
+Clc1ccc(N)c(C(=O)c2c(c(OC)ccc2)OC)c1	335
+CN(C)C=CC(c1c(ccc(Cl)c1)O)=O	277
+Clc1cc(Cn2ccnc2)c(cc1)Oc3c4c(cccc4)ccc3	371
+Clc1cc(-n2c3c(cc(OC)cc3)cc2)c(N)cc1	0
+Clc1cc(c(cc1)[N+]([O-])=O)-n2c3c(cc(OC)cc3)cc2	1995
+c1cc(ccc1)-c2ccc([N+](=O)[O-])c(F)c2	667
+c1cc(ccc1)Nc2cc(Cl)ccc2[N+]([O-])=O	275
+FC(F)c1c(cn(C)n1)C(N(CCCc2c(Cl)cc(cc2Cl)Cl)OC)=O	3025
+c1cc(ccc1)COc2nc(cc(C(=O)O)c2)Cl	91
+c1c(ccc(Sc2cc(ccc2[N+]([O-])=O)C(=O)C)c1F)F	825
+Clc1cc2C(=O)N(C(CSc3ncnc4nc[nH]c34)=Nc2cc1)c5c(Cl)cccc5	3031
+C1(=O)C(=O)Nc2c(c(c(Cl)cc2N1)N=[N+]=[N-])[N+]([O-])=O	31
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(N)=O	1360
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(=O)O	3
+Clc1cc2Sc3c(cc(C#N)cc3)N(c2cc1)C(C)CO	44
+O=S(=O)(C)OCC(C)N1c2c(Sc3cc(Cl)ccc13)ccc(c2)C#N	7
+c1cc(ccc1-c2c(cccc2)C(=O)NCCc3c[nH]c4c3cc(cc4)Cl)OC	134
+C(=O)(c1n(-c2c(Cl)cccn2)nc(Cl)c1)Nc3c(cc(cc3C(=O)NC)Cl)C	1302
+Clc1cc2c(CCNC(=O)c3c(cccc3)I)c[nH]c2cc1	93
+FC(F)(F)c1cc(N2CCc3c(ccc(c3)Cl)C2)cc(Cl)c1NC(=O)CC(C)(C)C	79
+c1cc(ccc1N2CCN(CC2)C(C(N3c4c(CCC3)cc(cc4)Cl)C)=O)S(=O)(=O)Nc5ncncc5	10
+FC(F)(F)c1nc(O)c(-c2ccc(Cl)cc2Cl)nc1	2989
+c1(Cl)cc(c(cc1[N+]([O-])=O)C)Cl	31
+Clc1ccc(nc1Cl)CC#N	1461
+Clc1ccc(c(Cl)c1)CCOc2c(Cl)c(OC)cc(C(=O)OC)c2	126
+Clc1ccc(Cl)c(CC#N)c1	163
+C1CC(CCN1C(=O)Cc2cc(ccc2Cl)Cl)c3nc(cs3)C(N(C)C(c4ccccc4)CC)=O	10
+Clc1cc(c(N)cc1)C(c2c(O)c(ccc2)OC)=O	5
+O(c1c(C(c2c(ccc(Cl)c2)NCc3c(cc(cc3)OC)OC)O)cccc1OC)CC	208
+Clc1ccc(NCC(CCl)O)c(Cl)c1	843
+Clc1ccc(NCC(Cn2ccnc2)O)c(Cl)c1	871
+c1c(cc(c(NCC(OCc2cccc(Cl)c2)Cn3ccnc3)c1)Cl)Cl	149
+Clc1cc(c(cc1)N)C(Nc2nn(cc2)-c3ccc(c(C)c3)C)=O	0
+Clc1ccc(c(Cl)c1)CCOc2cc(cc(OC)c2Cl)C(=O)O	1
+O=S(=O)(C)Oc1cc(C)c(Cl)cc1	444
+C1CN(CCN1c2cc(ccc2)OC)Cc3ccc(cc3)Nc4ccnc5c4ccc(Cl)c5	179
+Clc1ccc2c(cc(C(NCC(OC)=O)=O)[nH]2)c1	1008
+Clc1ccc2c(cc(C(NCC(N3C(C(OC)=O)SCC3)=O)=O)[nH]2)c1	478
+Clc1ccc2c(cc(C(NCC(N3CCSC3C(=O)O)=O)=O)[nH]2)c1	4
+Clc1ccc2c(cc(C(NCC(=O)O)=O)[nH]2)c1	4
+Clc1ccc2ccc(COc3cc4c(OCc5c(C4SCCC#N)cccc5)cc3)nc2c1	143
+Clc1ccc2ccc(COc3cc4c(OCc5c(C4SCCC(=O)N)cccc5)cc3)nc2c1	1360
+Clc1cccc(c1)-c2nn(-c3ccc(Cl)c(C)c3)cc2	901
+FC(F)(F)Oc1ccccc1S(=O)(=O)C	720
+FC(F)(F)c1cccc(N2C(=O)NC(C3=C2CCCC3=O)c4ccc(C#N)cc4S(=O)C)c1	357
+FC(F)(F)c1cccc(c1)N2C3=C(C(CC3)=O)C(c4c(S(=O)C)cc(C#N)cc4)N(C2=O)C	357
+FC(F)Oc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C	172
+O=S(=O)(C)c1c(cccc1)C=2C(=O)N(c3nc(S(=O)C)ncc3C=2)CC	172
+O=S(=O)(Nc1c(F)c(cc(Cl)c1)-c2c(oc(C3CC3)n2)-c4nc(ncc4)S(C)=O)C	172
+C(CCC(CCCn1c(nc2c[n+]([O-])c3ccccc3c12)CCC)=O)CCC	359
+c1ccc(c[n+]1[O-])C=Cc2cc(ccc2)Nc3c(cccn3)[N+]([O-])=O	103
+Fc1cc(cc(F)c1C2CO2)S(=O)(=O)N(c3c(cc(C)cc3)C)CC(C)C	3038
+c1c2ccc[n+]([O-])c2ccc1OCCBr	924
+c1cc(cc(c1OC)F)CC2CO2	553
+c1cc(ccc1)-c2cc(nnc2Cl)Nc3nc(ncc3)S(C)=O	172
+c1cc(ccc1Br)-c2ccc(cc2)OCc3ccc[n+]([O-])c3OC	103
+c1cc(ccc1C(O)=O)-c2c[n+]([O-])ccc2	103
+c1cc(ccc1C)S(=O)(=O)n2cc(c3cc(cnc23)F)-c4nc(c(F)cn4)S(=O)C	1056
+c1cc(ccc1Cl)CC2CO2	553
+c1cc(ccc1F)-c2n(c3c(nc(Cl)cc3)n2)-c4ccnc(n4)S(C)=O	172
+c1c[n+](ccc1C(C)C(c2ccc(F)cc2F)(Cn3ncnc3)O)[O-]	103
+c1cc(ccc1)-c2cc(C(=O)O)c[n+]([O-])c2	103
+c1ccccc1COc2cc3c([n+](cc4nc(COCC)n(CC(C)(C)NS(=O)(=O)C)c34)[O-])cc2	359
+Nc1cc(Cl)nc(C)[n+]1[O-]	2758
+c1c(ccc(-c2[n+](cccc2C(=O)OCC)[O-])c1F)F	103
+c1cc(ccc1Br)C(NC(=O)c2cccc(Cl)c2)C(C3C(CCCC3)C(=O)OC)=O	2895
+O=Cc1cc(C)c(O)c(Cl)c1	502
+Clc1cccc(CCNC(C)=O)c1	68
+O=S(=O)(Cl)c1ccc(cc1CCNC(=O)C)Cl	243
+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)Sc4c5c(ccc4)sc(c5)C(=O)OC	20
+Cc1c(c2n(c(-c3cc(Cl)ccc3)cc(n2)Cl)n1)I	1390
+c1cnccc1-c2nnc(N3CCCCC3c4noc(-c5cccc(Cl)c5)c4)n2C	2511
+c1cc(ccc1C=CC(=O)c2cccc(Cl)c2)Cl	307
+FC(F)C1COC(CN1C(=O)c2cc3c(c(c2)OC)oc(NCc4nccc(Cl)c4)n3)(CCO)C	30
+Clc1ccnc(CNc2nc3c(o2)c(cc(c3)C(=O)N4CC(C)OCC4C(O)C)OC)c1	30
+Clc1ccnc(CNc2nc3c(o2)c(cc(C(=O)O)c3)OC)c1	1
+c1cc(ccc1)-c2cc(nnc2Cl)Nc3ccnc(n3)SC	349
+c1cc(ccc1Oc2c(cc(cc2)Cl)Nc3ccnc4c3ccc(CCC)n4)C(=O)NCCOC	698
+c1cc(ccc1O)Sc2ccc(C)cc2Nc3ccnc4c3ccc(CCC)n4	698
+FC(F)(F)c1ccc(Sc2ccc(cc2)NC(=O)C)c(Nc3c4c(ncc3)nc(C)cc4)c1	698
+c1(C)cccc(Sc2c(Nc3c4ccc(nc4ncc3)C)cc(C)cc2)c1	698
+Cc1cc(Nc2ccnc3nc(C)ccc23)c(cc1)Sc4cc(ccc4)NC(C)=O	698
+c1c(cccc1O)Sc2c(cc(C)cc2)Nc3ccnc4nc(C)ccc34	698
+c1cc(ccc1)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	698
+c1cc(ccc1O)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34	698
+c1cc(ccc1O)Sc2ccc(OCc3cccc(Br)c3)cc2Nc4ccnc5nc(C)ccc45	698
+O(CC)P(OCC)(=O)NC1CN(CCC1Cl)c2c([N+]([O-])=O)cncc2	264
+Clc1cnc(cc1)C(Nc2ccc(c(c2)C34NC(=N)COCC3C4)F)=O	2518
+n1c(Nc2c(ccc([N+]([O-])=O)c2)C(NC)=O)c(Cl)cnc1Cl	73
+n1c(Nc2cc(C)[nH]n2)c(Cl)cnc1Cl	349
+CC(C)S(=O)(=O)c1c(Nc2c(cnc(n2)Cl)Cl)cc(cc1)C=C	73
+O=S(=O)(NCC(Nc1c(cnc(n1)Cl)Cl)C)C	40
+c1cc(ccc1)COc2nc(Cl)nc(Cl)n2	2221
+c1cc(ccc1C(OC)=O)CNc2nc(Cl)nc(n2)Cl	387
+n1c(C)nc(Cl)cc1N	266
+c1(Oc2nc(C)nc(Cl)c2)cc3OC(Nc3c(C)c1)=O	185
+O=S(=O)(NC)Cc1ccc(cc1)Oc2nc(nc(c2)Cl)C	185
+c1(ncc(cc1C)C(=O)OCC)N2CCN(C(C)C2)c3cc(nc(N4C(C)CCC4)n3)Cl	54
+c1cc(ccc1-c2cc(Cl)nc(N3CCCC3C)n2)F	198
+Clc1nccc(CO)c1	611
+c1c(F)c(F)cc2CCN(C(c3ccnc(c3)Cl)=O)c12	610
+Fc1cccc(F)c1S(=O)(=O)Nc2cc(ccc2F)C(Cc3nc(Cl)ncc3)=O	1501
+c1cc(ccc1F)OCc2cc(ncc2)Cl	20
+c1cc(ccc1)C2=NN(CCNc3cc(ncc3)Cl)C(=O)C=C2	3441
+O(c1cc(c([N+]([O-])=O)cc1F)F)c2ccnc(c2)Cl	46
+O=S(=O)(C)C1CN(c2cc(C)nn2-c3cc(Cl)ncc3)C(C1)C(=O)OC	4682
+O=S(=O)(Cc1cccc(Nc2nc(Cl)ncn2)c1)C	360
+n1c(c(ccc1F)[N+]([O-])=O)C#N	2250
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(COCCCCCCCCCCCCCCCC)CF	2831
+FC(F)Oc1ccc(Br)cc1CCO	824
+FC(F)(C(F)(F)Cl)c1ccc(cc1)NC(c2cnc(N3CCC(O)C3)c(c2)-c4ccn[nH]4)=O	747
+FC(F)(C(=O)Nc1cc(ccc1)OC(C(=O)O)CCCCCCCCCCCC)C(F)Cl	3
+c1ccccc1CCCN2CC(F)(F)C(Nc3cnc(nc23)Cl)=O	1622
+FC(F)(c1c(Cl)cc(C(OC)=O)c(O)n1)Cl	395
+FC(F)(F)C=1NC(N(c2c(c(N)c(Cl)cc2F)OC)C(=O)C=1)=O	4686
+FC(F)(F)C(=O)N(Cc1ccnc2ccccc12)C3CC(Cc4ccccc4)N(CC3)C(=O)c5c(cccc5Cl)Cl	115
+c1(cccc(Cl)c1C(=O)N2C(Cc3ccccc3)CC(NCc4ccnc5c4cccc5)CC2)Cl	318
+C1CC2(CCN1Cc3cccc(CCO)c3F)CNCCO2	318
+FC(F)(F)C(N1CCC(CC1)NCc2ccc(cc2)F)=O	87
+FC(F)(F)C(N1CCC(CC1)NCc2ccc(cc2)Cl)=O	87
+CC(C)(C)OC(NCCN(CCN=[N+]=[N-])CCN)=O	399
+FC(F)(F)C(=O)NCCN(CCN=[N+]=[N-])CCNC(OC(C)(C)C)=O	123
+FC(F)(F)C(OC1CCC(CC1)C2CCC(CC2)C3OCC(CO3)CCCC)=O	4352
+FC(F)(F)C(=O)N(CCC)c1c([N+](=O)[O-])cc(F)c([N+]([O-])=O)c1	1326
+FC(F)(F)C(N(c1c(C)c(Oc2c(cc(cc2C)C)C)nc(C)c1)CC)=O	1326
+FC(F)(F)C(N(c1ccc(cc1)O)CCCCBr)=O	1326
+FC(F)(F)C(C)(C1CCC(CC1)N)O	316
+FC(F)(F)C(C1CCC(CC1)O)(O)C	2391
+FC(F)(F)C(C)(O)C1CCC(CC1)=O	86
+FC(F)(F)C(O)(C(OCC)=O)CC(C)(C)c1cc(F)ccc1OC	3995
+FC(F)(F)c1nn(c(-c2cc(c(cc2)-c3occc3)C)c1)-c4ccc(cc4)S(=O)(=O)N	2251
+FC(F)(F)C(O)CN1C(=NN(C1=O)CC(O)=O)c2ccc(cc2)Cl	4
+c1cc(ccc1NCCCCC#N)O	1761
+FC(F)(F)C(N(CCCCC#N)c1ccc(cc1)O)=O	830
+FC(F)(F)C(=O)N1CC2(CCN(CC2)Cc3cccc(CCO)c3F)OCC1	48
+FC(F)(F)C(=O)N1CCC(CC1)N(Cc2ccc(cc2)Cl)C(=O)Cc3ccc(cc3)OC	58
+FC(F)(F)C(Nc1cccc([N+]([O-])=O)c1)C(=O)O	4
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN	45
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN2C(c3c(C2=O)cccc3)=O	332
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CO	21
+FC(F)(F)C(OCc1ccccc1)(CC(C)(C)c2c(ccc(F)c2)OC)C(OCC)=O	1907
+FC(F)(F)C(C)(O)c1ccc(cc1)O	16
+FC(F)(F)c1cc(ccc1O)C=O	502
+FC(F)(F)c1n(nnn1)-c2ccc(O)c(C=O)c2	502
+FC(F)(F)C(c1c(-n2ccc(C)n2)cc(Cl)cc1)Oc3cc(nc(N)n3)Cl	145
+FC(F)(F)C(Oc1cc(N2CCC3(CC2)CCNC(C3)C(=O)O)nc(N)n1)c4c(-n5ccc(C)n5)cc(Cl)cc4	4
+FC(F)(F)C(c1c(-c2ccccc2)cc(cc1)S(=O)(=O)C)=O	2177
+FC(F)(F)C(C=Cc1cc(Cl)c(cc1OC)C(NCC(=O)NCC(F)(F)F)=O)c2cc(Cl)c(c(Cl)c2)Cl	1007
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2ccc(c3ccccc23)CN	45
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2c3c(cccc3)c(cc2)CNC(=O)CC(F)(F)F	9
+FC(F)(F)C1(CC(c2ccc(cc2)CNC(NCC(F)(F)F)=O)=NO1)c3cc(Cl)cc(Cl)c3	1957
+FC(F)(F)C1(CC(=NO1)c2ccc(cc2)CN)c3cc(Cl)cc(Cl)c3	45
+FC(F)(F)C1(CCC(CC1)(NC(Cc2cc(ccc2C)Br)=O)C(=O)OC)OC	726
+FC(F)(F)C1(CCC(CC1)(C(OC)=O)NC(Cc2cc(ccc2C)-c3ccc(cc3)Cl)=O)OC	726
+FC(F)(F)C1(CCC2(CC1)C(=C(C(=O)N2)c3c(ccc(c3)Br)C)O)OC	997
+FC(F)(F)C1(CCC(CC1)(C(O)=O)N)OC	4703
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)CCNC1	25
+FC(F)(F)C1(CC2CCCc3c(cc4c(n(nc4)-c5ccc(cc5)F)c3)C2(C(=O)NC6CC6)CC1)O	4504
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)CCN(c3cc(c(cc3)C(O)=O)[N+]([O-])=O)C1	1
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)CCN(c3cc([N+]([O-])=O)c(C(=O)OC)cc3)C1	34
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2c(cc(c(c2N)[N+](=O)[O-])Cl)F	623
+FC(F)(F)C=1N(C(=O)N(C(=O)C=1)c2c(c(I)c(cc2F)Cl)OC)C	158
+FC(F)(F)C=1N(C)C(C(c2c(cc(Cl)c(N)c2)Cl)=NC=1)=O	0
+FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C	61
+FC(F)(F)C1CCC(CC1)C=O	24
+FC(F)(F)C=1C=C(C)N(c2c(Cl)ccc(c2)C(N(c3cccc(F)c3Cl)C)=O)C(N=1)=O	610
+FC(F)(F)C=1C=C(C)N(C(N=1)=O)c2c(ccc(C(O)=O)c2)Cl	6
+FC(F)(F)C=1N(C(=O)N(c2c(O)c(c(Cl)cc2F)I)C(=O)C=1)C	5
+FC(F)(F)C1=CC(=O)N(c2c(cc(Br)c3OC(Cc23)C)F)C(N1C)=O	4258
+FC(F)(F)C1=CN=C(c2c(cc(c([N+](=O)[O-])c2)Cl)Cl)C(=O)N1C	31
+FC(F)(F)C=1N(C(N(c2c(cc(Br)c(O)c2CC=C)F)C(=O)C=1)=O)C	423
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(cc(c(c2F)[N+]([O-])=O)Cl)F	31
+FC(F)(F)CCc1c(ccc(C(=O)C)c1O)OCCCOc2cc(NC(C(OC)=O)=O)ccc2	5
+FC(F)(F)CCc1c(ccc(C(C)=O)c1OC)OCCCOc2cc(NC(C(OC)=O)=O)ccc2	994
+FC(F)(F)CCc1c(ccc(C(C)=O)c1OC)OCCCOc2cc(ccc2)N	0
+FC(F)(F)COc1c(ccc(n1)C(=O)O)Br	91
+FC(F)(F)COC(=O)c1cc(CCCC)n(Cc2ccc(cc2)-c3ccccc3-c4[nH]nnn4)n1	226
+FC(F)(F)COc1nc(ccc1C2CC2)C(O)=O	2060
+FC(F)(F)COc1c(Br)ccc(C(O)=O)c1	1
+FC(F)(F)COc1c(ccc(C(N2CC(C2)F)=O)c1)Nc3nn4ccc(Cl)cc4n3	490
+FC(F)(F)COc1c(C(=O)NCc2nc(ccc2)O)cc(O)cc1	16
+FC(F)(F)Oc1ccccc1-c2nc(ncn2)Nc3cc(ccc3)CS(=O)(=O)C	1582
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)CN)ccc(c1)Br	15
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)C(=O)N)ccc(Br)c1	83
+FC(F)(F)Oc1ccc(S(=O)(=O)N)cc1N	0
+FC(F)(F)Oc1cc(-c2ccc(s2)S(=O)(=O)n3ccc4cc(CCC(OC)=O)ccc34)ccc1	159
+FC(F)(F)Oc1cc(-c2ccc(s2)S(=O)(=O)n3ccc4cc(CCC(O)=O)ccc34)ccc1	4
+FC(F)(F)Oc1cc2cc([nH]c2c(N(C)S(=O)(=O)c3cccs3)c1)C(=O)O	6
+FC(F)(F)Oc1cc2cc([nH]c2c(N)c1)C(OCC)=O	13
+FC(F)(F)Oc1cc2c(c(N(C)S(=O)(=O)c3cccs3)c1)[nH]c(C(=O)N)c2	247
+FC(F)(F)Oc1cc(NS(=O)(=O)c2cccs2)c3c(c1)cc(C(=O)OCC)[nH]3	2412
+FC(F)(F)Oc1ccc(cc1)-c2cc3n(C)cc(C(=O)C(O)=O)c3cc2	4714
+FC(F)(F)Oc1ccc(cc1)-c2cnc(nc2)-c3ccc(cc3)C=O	345
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)CO	4715
+FC(F)(F)Oc1ccc(cc1)-c2ccc3cc[nH]c3c2	495
+FC(F)(F)Oc1ccc(cc1)-c2cnc(nc2)Cl	4172
+FC(F)(F)Oc1ccc(cc1)C#CCC2(CCC2)CO	44
+FC(F)(F)Oc1ccc(cc1)C#CCC2(CCC2)COS(=O)(=O)C	7
+FC(F)(F)Oc1ccc(cc1)C#CCC2(CCC2)CI	572
+FC(F)(F)Oc1ccc(cc1)C(c2c(ccc(Br)c2)Cl)O	488
+FC(F)(F)Oc1ccc(cc1)Cc2cc(ccc2Cl)Br	452
+FC(F)(F)Oc1ccc(cc1)CCNc2cc(Cl)nc(OC)n2	40
+FC(F)(F)Oc1ccc(cc1)Cc2cc(C3(OC(CO)C(C(O)C3O)O)OC)ccc2Cl	353
+FC(F)(F)Oc1ccc(cc1)NC(=O)C2(CCN(CC2)S(=O)(=O)c3ccc(cc3)C)F	33
+FC(F)(F)Oc1ccc(cc1)OC2CCN(CC2)CCOCC(=O)NC3COc4nc([N+](=O)[O-])cn4C3	467
+FC(F)(F)Oc1ccc(cc1NC(Nc2c3n(cnc3ccc2)C)=S)S(=O)(=O)N	4721
+FC(F)(F)Oc1ccc(N)cc1S(=O)(=O)C	0
+FC(F)(F)Oc1cc(-c2ccc(S(=O)(=O)n3ccc4cc(ccc34)C=CC(=O)OC)s2)ccc1	268
+FC(F)(F)Oc1ccccc1C(N)=NO	253
+FC(F)(F)Oc1c(cccc1)-c2noc(-c3ccc(-c4c(cccc4)OC)c(C)c3)n2	910
+FC(F)(F)Oc1c(cccc1)-c2nc(-c3ccc(c(C)c3)-c4c(csc4)C)on2	910
+FC(F)(F)Oc1ccc(cc1S(=O)(=O)C)[N+]([O-])=O	31
+FC(F)(F)S(=O)(=O)Oc1c2-c3nc(nc(-c4ccccc4)c3C(=O)c2ccc1)N	376
+c1cc(ccc1C2=CCC3(OCCO3)CC2)OC	2144
+FC(F)(F)S(=O)(=O)Oc1c2cc(ccc2cc(c1C)CC(=O)OC)F	166
+FC(F)(F)S(=O)(=O)Oc1ncc2c(cccc2)c1F	1062
+c1(C)cccc(Sc2ccc(C)cc2[N+]([O-])=O)c1	2255
+c1(ccc(cc1[N+]([O-])=O)C)Sc2cccc(N)c2	2255
+c1cc(ccc1Sc2ccc(cc2[N+]([O-])=O)C)O	2255
+CC(C)n1ncc2c(C(=O)OCC)cc(-c3cccc(CO)c3)nc12	4726
+FC(F)(F)S(=O)(=O)Oc1ccc2C(CCCc2c1)O	74
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(N)c2cc1	18
+c1ccccc1CN2C3(CC3)CN(c4cc(CC(=O)OCC)c5ccccc5c4)CC2	908
+FC(F)(F)S(=O)(=O)Oc1ccc(C=C(C(O)=O)OC)cc1OCCCC	127
+C1CC(c2ccc(C#N)c(c12)Br)=O	763
+FC(F)(F)S(=O)(=O)Oc1cc2c(C(CCC2)N=[N+]=[N-])cc1	841
+c1cc(ccc1F)-c2c(C(NC)=O)c3c(o2)ccc(-c4cccc(C#N)c4)c3	368
+c1c2CC(C(OC)=O)CCc2ccc1C#N	763
+FC(F)(F)S(c1cc(c(O)cc1)NC(=O)c2c(S(=O)(=O)CC)cccn2)=O	772
+FC(F)(F)S(=O)c1ccc(c(N)c1)O	0
+FC(F)(F)S(=O)c1ccc(c(c1)[N+](=O)[O-])O	31
+FC(F)(F)Sc1c(cccc1)C#Cc2ccccc2	129
+FC(F)(F)Sc1c(I)cccc1	158
+FC(F)(F)C(O)c1ccc(Cl)c2nc3N(CCCn3c12)c4ccc(cc4C)C#N	4658
+FC(F)(F)C(CN1C(=O)N(CC(OC)=O)N=C1c2ccc(cc2)Cl)O	1634
+FC(F)(F)C(c1c(cc(cc1)S(=O)(=O)C)-c2ccccc2)O	714
+FC(F)(F)c1c(C#N)cc(N)cc1	623
+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4c(nc3)cnc(COS(=O)(=O)C)c4)C)cccc1	7
+FC(F)(F)c1c(C(Oc2c(C(N)=O)sc(-n3c4c(cnc(CO)c4)nc3)c2)C)cccc1	35
+FC(F)(F)c1ncc(cc1C)C(=O)O	1
+FC(F)(F)c1cc2N(CCCC(c2cc1C)N=[N+]=[N-])C(=O)OC(C)(C)C	841
+FC(F)(F)c1c(C=O)ccc(c1)NC(=O)c2ccc(C)c(Br)c2	50
+FC(F)(F)c1c(ccc(NC(c2ccc(C)c(-c3cc4cnncc4cc3)c2)=O)c1)CN5CCOCC5	2256
+FC(F)(F)c1c(F)c(Cl)cc(I)c1	158
+FC(F)(F)c1c(NC(Nc2ccc(c(S(=O)(=O)N(C)C)c2O)Cl)=S)cccc1	773
+FC(F)(F)c1c(cnc(n1)Nc2cccc(Cl)c2)N	4208
+FC(F)(F)c1cccc(O)c1Oc2ccccc2	5
+FC(F)(F)c1c(c(ccc1)Br)N	106
+FC(F)(F)c1cccc(c1CO)Cl	98
+FC(F)(F)c1c(Oc2ccccc2)c(ccc1)OC	46
+FC(F)(F)c1c(C)cc(C=O)cn1	200
+FC(F)(F)c1c(ccc(CC(=O)Nc2c(Cl)ccc3C(N(C=Cc23)CCO)=O)c1)F	59
+FC(F)(F)c1cc(ccc1N)N(c2cc3oc(c(C(NC)=O)c3cc2C4CC4)-c5ccc(cc5)F)S(=O)(=O)C	0
+FC(F)(F)c1c(ccc(NC(Nc2ccc(cc2)Oc3ncnc(-n4ncnc4)c3)=O)c1)Cl	124
+FC(F)(F)c1c(ccc(N(S(=O)(=O)C)c2cc3oc(c(C(NC)=O)c3cc2C4CC4)-c5ccc(cc5)F)c1)[N+]([O-])=O	3058
+FC(F)(F)c1c(cccc1)-c2nc3c(cccc3C(=O)Nc4cc(ccc4)OCC(CO)O)[nH]2	265
+FC(F)(F)c1c(C(Oc2cc(-n3c4c(cnc(c4)CO[Si](C)(C)C(C)(C)C)nc3)sc2C(N)=O)C)cccc1	1355
+FC(F)(F)c1ccccc1-c2nc3c([nH]2)cccc3C(O)=O	622
+FC(F)(F)c1c2CCN(c3ccc(cc3)N4C(=O)CCCC4)C(=O)c2n(-c5ccc(c(c5)Cl)F)n1	883
+FC(F)(F)c1nn(c2c1CCN(c3ccc(cc3)N4C(=O)CCCC4)C2=O)-c5ccc(c(c5)C#N)F	4741
+FC(F)(F)c1c2c(ccc1)c(cs2)C3CCNCC3	526
+FC(F)(F)c1cccc2c(c(C(=O)OC)sc12)C3CCN(CC3)C(=O)C	58
+FC(F)(F)c1c2c(sc1)ncnc2Nc3ccccc3OC4CCOC4	1500
+FC(F)(F)c1c(ccc(-c2nc(NC(=O)c3ccc(cc3)Nc4ncnc(N(C)C)c4)sn2)c1)F	3875
+FC(F)(F)c1c(c(cc(N2Cc3c(CC2)cccc3)c1)Cl)NC(CCC4CCCC4)=O	79
+FC(F)(F)c1c(OCc2ccccc2)ccc(c1)Oc3ccc(cc3)OCC	304
+FC(F)(F)c1cc(C(NCC(NC2CCN(C2)C3CCN(C3)C(=O)OCc4ccccc4)=O)=O)ccc1	85
+FC(F)(F)c1nn(c(c1)CO)-c2ccc(cc2)[N+]([O-])=O	629
+FC(F)(F)c1cc(C(NCC(NC2CCN(C3CNCC3)C2)=O)=O)ccc1	62
+FC(F)(F)c1cc(C(NCC(=O)NC2CN(CC2)C3CCN(C3)c4ccc(cc4)C(OC)=O)=O)ccc1	79
+FC(F)(F)c1cc(C(=O)Nc2cc(I)c(cc2)C)ccc1	67
+FC(F)(F)c1cc(n(-c2ccc(cc2)[N+]([O-])=O)n1)C(OC)=O	77
+FC(F)(F)c1c(ccc(CC(=O)Nc2c3c(C(=O)N(CCOC(=O)C)C=C3)ccc2Cl)c1)F	33
+FC(F)(F)c1ccc(-c2ncnc(Nc3cc4cc[nH]c4cc3)c2[N+]([O-])=O)c(F)c1	198
+FC(F)(F)c1ccnc(OCC2N(CC(CC2)C)C(c3nc(ccc3-c4ncccn4)C)=O)c1	430
+FC(F)(F)c1c(c(Br)ccc1)NC(C)=O	480
+FC(F)(F)c1cc(N2CCC(CC2)NCC(c3n(C)c4c(cccc4)n3)O)nc5sc(C(N)=O)c(N)c15	3763
+FC(F)(F)c1cc(c(cc1)C=CC(=O)OC)NCC	530
+FC(F)(F)c1cc(c(COS(=O)(=O)C)cc1)Oc2cc(C#N)ccc2	7
+FC(F)(F)c1cc(Oc2cc(C(=O)NN)ccc2)ccc1	296
+FC(F)(F)c1cc(S(=O)(=O)CCSc2ncccc2N)ccc1	13
+FC(F)(F)c1cc(Br)c(NC)c(N)c1	0
+FC(F)(F)c1c(F)c(Cl)cc(N)c1	0
+FC(F)(F)c1cc([N+]([O-])=O)c(c(C(=O)O)c1)C	31
+FC(F)(F)c1cnc(c(Cl)c1)-c2ccc(c(OC)c2)Cl	140
+FC(F)(F)c1cc(N)c(c(c1)C(=O)OC)C	0
+FC(F)(F)c1ccc(-c2ncnc(Oc3c4c(ccc3)sc(NC(C)=O)n4)c2)c(NC(=O)OC(C)(C)C)c1	4751
+FC(F)(F)c1ccc(C)c(c1)N	0
+FC(F)(F)c1ccc(C=CC(O)=O)c(c1)NCC	127
+FC(F)(F)c1cnc(c(c1)C(=O)N)Cl	3454
+FC(F)(F)c1cc(cc(Cl)c1N)C(O)CN(Cc2ccccc2)CCCCCCOCCc3ncccc3	4754
+FC(F)(F)c1c(N)c(cc(C(O)CNCCCCCCOCCc2ncccc2)c1)Cl	25
+FC(F)(F)c1cc(ccc1)N2C(=C(C(c3c(cc(cc3)C#N)C(O)=O)N(C)C2=O)C(=O)OCC)C	1
+FC(F)(F)c1cc(N2CCN(CC2)CCC3CCC(CC3)Nc4ncccn4)ccc1	28
+FC(F)(F)c1cccc(N2C(=O)NC(C3=C2CCCC3=O)c4c(cc(cc4)C#N)SC)c1	3065
+FC(F)(F)c1cccc(Oc2c3c(c(ccc3)[N+](=O)[O-])ncn2)c1	185
+FC(F)(F)c1cc(Br)ccc1OCc2ccccc2	139
+FC(F)(F)c1cc(C=O)ccc1OCc2ccccc2	22
+FC(F)(F)c1cc(F)ccc1OCCN2C(C=3N(CC2)C(=O)C(n4cc(nc4)C)=CC=3)=O	3055
+FC(F)(F)c1cc(C(=O)O)n(-c2ccc(cc2)[N+]([O-])=O)n1	1
+FC(F)(F)c1cc(ncc1)-n2nc(c(c2)CCCO)C(C)C	44
+FC(F)(F)c1cc(ncc1)-n2cc(CCCOc3c(cccc3OC)CC(O)=O)c(C(C)C)n2	4
+FC(F)(F)c1cc(ncc1)-n2cc(CCCOc3c(OC)cccc3CC(OC)=O)c(C(C)C)n2	126
+FC(F)(F)c1cc2nc(cn2cc1)-c3c(cccc3)S(=O)(=O)CC	440
+FC(F)(F)c1c(C)cc2c(c1)N(CCCC2O)C(=O)OC(C)(C)C	74
+FC(F)(F)c1c(cc2C(N)CCCN(C(OC(C)(C)C)=O)c2c1)C	18
+FC(F)(F)c1cc(c(cc1)-c2ncnc(Nc3cc4cc[nH]c4cc3)c2N)F	193
+FC(F)(F)c1ccc(c(c1)N)-c2cc(ncn2)Oc3c4c(ccc3)sc(NC(C)=O)n4	78
+FC(F)(F)c1c(cc(cc1)-n2c(CO)nnn2)C#N	59
+FC(F)(F)c1c2NC(N(c2c(cc1)C(CC)CC)C)=O	191
+FC(F)(F)c1cc(NCC)c(C=O)cc1	760
+FC(F)(F)c1ccc(C=O)c(c1)Oc2cc(C#N)ccc2	46
+FC(F)(F)c1cc(Oc2cc(C#N)ccc2)c(CO)cc1	41
+FC(F)(F)c1ccc(Sc2ccc(cc2)NC(=O)C)c(c1)[N+](=O)[O-]	825
+FC(F)(F)c1cc(Br)c(cc1)Oc2cc(c(cc2)C)Oc3ccc(c(C)c3)CCC(=O)OCC	46
+FC(F)(F)c1ccc(nc1)Oc2ccc(cc2)OC(C)CO	44
+FC(F)(F)c1cc(N)c(Sc2ccc(cc2)NC(=O)C)cc1	0
+FC(F)(F)c1ccc(c(n1)O)C(=O)O	1
+FC(F)(F)c1cc(-c2c(OC3CCCC3)ncc(C(=O)O)c2)c(cc1)Cl	1
+FC(F)(F)c1cc(c(CNc2cc(c(cc2)-c3ccc(cc3C)Cl)Cl)cc1)Br	608
+FC(F)(F)c1ccc(c(c1)[N+]([O-])=O)C(=O)N(C)OC	280
+FC(F)(F)c1cc(N)c(C(N(OC)C)=O)cc1	0
+FC(F)(F)c1ccc(c(c1F)F)-c2sc(COc3ccc4ccn(CC(O)=O)c4c3)c(C)n2	32
+FC(F)(F)c1ccc(cc1)-c2c(nc([nH]2)NC(c3c(ncc(CNC(=O)C(C)C)c3)C(F)F)=O)C	4769
+FC(F)(F)c1ccc(cc1)-c2cc(F)c(c(c2)N)NC=O	0
+FC(F)(F)c1ccc(cc1)-c2nc(COC)c(cc2)CO	295
+FC(F)(F)c1ccc(cc1)-c2nc(c3c(cccc3)n2)C(N4CCc5c(O)c(ccc5C4)OC)=O	147
+FC(F)(F)c1ccc(cc1)-c2cc(F)c(c([N+](=O)[O-])c2)NC=O	11
+FC(F)(F)c1cc(c(cc1)C)[N+]([O-])=O	31
+FC(F)(F)c1ccc(cc1)C(=O)NCCc2c(OC)cccc2	93
+FC(F)(F)c1ccc(cc1)C(=O)NCCc2ccccc2	93
+FC(F)(F)c1ccc(cc1)C=2c3cccc(OC)c3CCN=2	1753
+FC(F)(F)c1ccc(cc1)C=2c3c(CCN=2)cccc3	1753
+FC(F)(F)c1ccc(cc1)-c2cn3cc(-c4ccccc4)ccc3n2	440
+FC(F)(F)c1ccc(cc1)C2c3ccccc3CCN2C(=O)Nc4ccccc4	326
+FC(F)(F)c1ccc(cc1)C2c3c(cccc3)CCN2C(=O)Oc4ccccc4	66
+FC(F)(F)c1ccc(cc1)C2NCCc3c2cccc3	2262
+FC(F)(F)c1ccc(cc1)C2c3cccc(c3CCN2)OC	2262
+FC(F)(F)c1ccc(cc1)C=Cc2occ(C(O)=O)n2	6
+FC(F)(F)c1ccc(cc1)C=Cc2nc(C(=O)Nc3ccc(cc3)CCCCn4ccnn4)co2	3862
+FC(F)(F)c1ccc(cc1)C	3072
+FC(F)(F)c1ccc(cc1)Cn2c3ccccc3c4CCN(Cc24)C(=O)OCc5ccccc5	190
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(nc2)OCC(OC)=O)C	2236
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(OCC(=O)N)nc2)C	83
+FC(F)(F)c1ccc(cc1)CON=C(c2cnc(OCC#N)cc2)C	143
+FC(F)(F)c1ccc(cc1)CON=C(C)c2cnc(cc2)OCC(=O)O	4
+FC(F)(F)c1ccc(cc1)Cn2cc(nn2)-c3sc(C(O)=O)c(C)n3	6
+FC(F)(F)c1ccc(cc1)Cn2cc(-c3sc(C(NCc4cnccc4)=O)c(n3)C)nn2	454
+FC(F)(F)c1ccc(cc1)NS(=O)(=O)c2cccc(C(=O)OCC)c2	69
+FC(F)(F)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)COCC(O)=O	4
+FC(F)(F)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3cc(ccc3)CBr	92
+FC(F)(F)c1ccc(cc1)NS(=O)(=O)c2cc(C(O)=O)ccc2	6
+FC(F)(F)c1ccc(cc1)OCc2n(nc(C)c2I)C	20
+FC(F)(F)c1ccc(nc1)Oc2ccc(cc2)OC(C)C=NO	410
+FC(F)(F)c1ccc(nc1)Oc2ccc(cc2)OC(C)C=O	24
+FC(F)(F)c1ccc2CCC(N3CCN(CC3C)C4(CCN(CC4)C(OC(C)(C)C)=O)C)c2c1	2784
+FC(F)(F)c1ccc2CCC(N3C(CN(C4(CCNCC4)C)CC3)C)c2c1	2
+FC(F)(F)c1ccc2c(C=CC(=O)N2CC(=O)O)c1	4
+FC(F)(F)c1ccc2c(C(N)CC(CC)N2C(=O)C3CCC(CC3)CC(=O)OCC)c1	102
+FC(F)(F)c1cc2C=CC(=O)N(CC(Nc3scc(c3-c4nnc[nH]4)Cl)=O)c2cc1	1477
+FC(F)(F)c1cccc(c1)N2C(NC(c3c(cc(cc3)C#N)SC)C4=C2CCC4=O)=O	3065
+FC(F)(F)c1cccc(Oc2ncnc3c2cccc3N)c1	13
+FC(F)(F)c1c(c(Cl)ccc1)COS(=O)(=O)C	7
+FC(F)(F)c1c(COS(=O)(=O)c2ccc(cc2)C)c(ccc1)Cl	36
+FC(F)(F)c1cccc2c(-c3cc(Oc4cc(S(=O)(=O)CCCNS(=O)(=O)C)ccc4)ccc3F)ncnc12	111
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(c4)S(=O)(=O)CCCOS(=O)(=O)C)ccc3F)ncnc12	7
+FC(F)(F)c1cccc2c(-c3cc(Oc4cc(S(=O)(=O)CCCN)ccc4)ccc3F)ncnc12	4782
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(S(=O)(=O)CCCC#N)c4)ccc3F)ncnc12	300
+FC(F)(F)c1cccc2c1sc(C(O)=O)c2C3CCN(CC3)C(=O)C	1
+FC(F)(F)c1cccc2c(-c3cc(Oc4cc(ccc4)S(=O)(=O)CCCO)ccc3F)ncnc12	304
+FC(F)(F)c1c2c(c(C3CCN(CC3)C(=O)C)cs2)ccc1	1539
+FC(F)(F)c1ccccc1CNC(C2CCC(CC2)Nc3nc(nc(n3)NC)-c4ccccc4)=O	9
+FC(F)(F)c1c(cccc1)Sc2ccc(cc2)Br	826
+FC(F)(F)c1ccnc(CO)c1	59
+FC(F)(F)c1ccc2c(C(C=CN(C)C)=O)c(nn2c1)-c3ccc(cc3)F	277
+FC(F)(F)c1cc(c(nc1)-c2cc(c(Cl)cc2)O)Cl	5
+FC(F)(F)c1cnc(Cl)c(C#N)c1	1014
+FC(F)(F)c1csc2c1c(ncn2)O	1868
+FC(F)(F)c1n2c(c(C(N3CCNCC3C)=O)cn2)nc(-c4ccc(cc4)OC)c1C	2
+FC(F)(F)c1ncc(cc1)-c2cc(C#N)ncn2	2266
+FC(F)(F)c1ncc(cc1)-c2ncnc(CN)c2	421
+FC(F)(F)c1ncc(cc1)-c2cc(ncn2)CNC(CN(S(=O)(=O)c3ccc(cc3)F)C(C)C)=O	9
+FC(F)(F)c1ccc(cn1)-c2nc3n(ccc3c(O)n2)C	4521
+FC(F)(F)c1c(C)cc(cn1)C(OC)=O	4788
+FC(F)(F)c1c(cc(cn1)CO)C	382
+FC(F)(F)c1nn(CC(=O)Nc2c(nn3CCCC(c23)=O)C(=O)N)c4CCCCc14	3810
+FC(F)(F)c1c2c(n(n1)-c3ccc4c(c3)c(N)no4)C(N(c5ccc(cc5)N6C(=O)CCCC6)CC2)=O	2134
+FC(F)(F)c1nnc(cc1)NC2CCN(CC2)Cc3ccc(cc3)F	48
+FC(F)(F)c1nnc(NC2CCNCC2)cc1	2
+FC(F)(F)c1n(-c2ccc(cc2)O)nnn1	16
+FC(F)(Cl)c1c(cc(c(n1)O)C(O)=O)Cl	1
+FC(F)(CNC(c1ncccc1C)=O)c2c(cc(Cl)cc2)Cl	81
+FC(F)(c1c(Cl)cc(Cl)cc1)CN	18
+FC(F)(C(F)(F)Cl)c1ccc(cc1)NC(=O)c2cc(c(nc2)Cl)Br	246
+FC(F)(c1c(cc(Cl)cc1)Cl)CN=[N+]=[N-]	310
+c1nc(ncc1)C(F)(F)CN	18
+Fc1cccc(F)c1S(=O)(=O)Nc2c(ccc(-c3c(-c4ccnc(NCC(F)F)n4)sc(n3)C(C)C)c2)F	96
+FC(F)COc1cc(c(C#N)nc1)Cl	1286
+FC(F)COc1cc2ncnc(Nc3cc(c(F)cc3)Cl)c2cc1[N+](=O)[O-]	724
+FC(F)COc1cc(c(C(O)=O)nc1)Cl	876
+FC(F)COc1cc2c(cc1N)c(Nc3cc(c(F)cc3)Cl)ncn2	0
+FC(F)Oc1ccnc(c1C)CSc2nc3ccccc3[nH]2	1548
+FC(F)Oc1c(CCOC)cc(cc1)Br	1541
+FC(F)Oc1c(O)nccc1	104
+FC(F)c1c(C(OCC)=O)cc(c(n1)O)Cl	395
+FC(F)c1ncc(cc1C(=O)O)CNC(=O)C(C)C	6
+FC1(F)CC(C1)c2onc(-c3cc(NC(c4cnc5ccc(CCC(C)=O)cn45)=O)c(cc3)C)n2	466
+FC1(F)CC(C1)c2onc(-c3cc(NC(c4n5cc(ccc5nc4)CCC(C)(C)O)=O)c(cc3)C)n2	736
+FC1(F)CCN(CC1)c2sc(-c3ccc(cc3)N4CCS(=O)(=O)CC4)c(C5C(C(O)=O)CCCC5)n2	4
+FC1(F)Oc2cccc(c2O1)NN	427
+c1cc(ccc1OCCOCCOCCF)-c2ccc3c(c2)ccc(c3)N	72
+c1cc(ccc1-c2cc3ccc(cc3cc2)OCCOCCOCCF)[N+](=O)[O-]	72
+c1cc(ccc1C#N)NCc2cnc(c(OCc3ccc(cc3)C#N)c2CF)C	2672
+C1CC1c2cc(c(c(C=O)c2O)C)[N+](=O)[O-]	4800
+c1c(F)c(c(cc1S(=O)(=O)N(c2c(cc(C)cc2)C)CC(C)C)F)C=C	2225
+c1cc2c(cc1C(=O)c3c(F)cc(OC)cc3)ccc(OC)c2	335
+O=S(=O)(c1ccc(cc1)Br)Nc2c(F)c(F)c(c(F)c2F)C(=O)OC	69
+CC(Nc1c2CCCC(c2c(c(F)c1)F)=O)=O	214
+c1ccc(c(Nc2ccccc2F)c1)N	0
+Fc1c(OC)cc(OC)c(F)c1N2C(N(c3cc(C=NO)ncc3C2)CC)=O	688
+Fc1c(OC)cc(OC)c(F)c1N2C(N(c3c(cnc(C=O)c3)C2)CC)=O	1436
+c1cc(ccc1F)-n2cc(OCC)c(C(Nc3cc(c(cc3)Oc4c5c(cc(c(OC)c5)OC)ncc4)F)=O)n2	772
+Fc1cc(cc(F)c1F)-c2cc3CCc4c(ccc(CCC)c4)-c3cc2	2111
+c1c(F)c(c(cc1C=O)F)SC	411
+c1(F)cc(cc(F)n1)-c2nc(ncc2)Nc3n(C)ncc3	1618
+c1(-c2ccccc2F)cncc(c1C(=O)OC)Nc3ccc(I)cc3F	235
+Cc1ccc(I)c(Cl)c1	158
+c12ccc(O)cc1c(I)ccc2	158
+c1cc(C(=O)OC)c(cc1I)OC	158
+C(OC(CCc1cc(c(F)c(c1)C(O)CI)F)=O)C	1319
+c12c(cccc1)C(=O)N(C2=O)C(CF)(C#N)CCCCI	572
+c1c(OC)c(cc(-c2c(F)cc(cc2)C(=O)OC)c1F)I	1202
+c1cc(ccc1Cc2ccc(cc2)-c3occn3)OCCI	363
+c1cc2c(c(Br)ccc2I)cc1	158
+c1(-c2ncccc2)cc(Br)c(c([N+]([O-])=O)c1I)F	1252
+c1c2c(-c3c(cc(cc3)CCC)CC2)ccc1I	184
+Ic1nc(ccc1N)Cl	1463
+c1(C)cc(I)cnc1N	625
+n1[nH]c(c2cc(-c3cnccc3)ncc12)I	538
+c1cc(ccc1C2CC(=O)N(C2C(OCC)=O)C)I	1252
+n1cccnc1C(F)(F)CI	343
+n1nc[nH]c1-c2c(Br)cc(I)s2	2270
+[N+]([O-])(c1cc(-n2nccc2)c(nc1)O)=O	2962
+c1(I)c2CCCNc2ncc1[N+](=O)[O-]	475
+c1cnc2c(c1I)cnn2-c3ccc(cc3Cl)F	4810
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4nc(SC)ncc4)C	4613
+c1cc(ccc1)COC(=O)C2CCC3(C(=O)NC(=O)N3)C2	4812
+c1c2c(ccc1)CC3C(CCC(C#N)(N)C3)C2	661
+c1cc(ccc1)CN(CC(N)(C#N)CCc2ccccc2)C	661
+NC(=O)c1cc2c(CCCC2)c(c1OC)I	169
+O=S(=O)(c1cccc(C2CCN(CC2)CCC)c1N)C	623
+O=S(=O)(N)c1c(C(C)C)cc(Br)c(c1)C(C)C	336
+O=S(=O)(N)c1c(CCNC(=O)C)cc(Cl)cc1	336
+O=S(=O)(c1cc(C(=O)C)ccc1F)N	336
+O=S(=O)(N)c1cc(c2c(OCCO2)c1)C(=O)O	336
+NC(NC(c1n(CC(OC)=O)c2ccc(cc2c1)OC)=O)=S	4817
+c1(C)c(cc(cc1)C(=O)N)Br	169
+c1(cc(cc(C)c1-c2cccc(CNc3cc(c(cc3)CCC(N)=O)F)c2)OCCOCC)C	83
+c1(cccc(c1)C2(C)N=C(COC2)N)Br	4791
+c1cccc(c1C(C(=O)N)C)I	83
+c12c(C(=O)N(C1=O)CCc3cc(C(N)=O)nn3CCC)cccc2	247
+c1c(Br)ccc2cc(N)ccc12	4819
+NC(=O)c1c(Nc2ccc(I)cc2F)cncc1-c3ccccc3F	2822
+c1c(cc(c(c1)Cc2c(nn(-c3c(Cl)ccc([N+]([O-])=O)c3)c2C(=O)N)CCCC)F)Br	1612
+c1(cc(nc(n1)Cl)Cl)C(=O)N	1612
+C(c1c(c2ccccc2[nH]1)Cl)(=O)N	247
+c1c2c(ccc(C)c2)[nH]c1C(=O)N	247
+C1CC(CCN1Cc2ccccc2)(O)CC(=O)N	728
+c1cc(ccc1)COc2cc(CCC(=O)N)ccc2	83
+c1cc(ccc1OC)-c2c3c(ncnc3n(C(C)C)c2)N	869
+c1cc(ccc1C(OC)=O)CNc2nc(nc(NC3Cc4c(cccc4)C3)n2)N	1342
+c1cc(ccc1C(=O)N)CC(=C(C(=O)OC)C(C)C)C(OC)=O	2822
+c1cc(ccc1F)-n2c(-c3cn(cn3)-c4ccc(cn4)C(=O)N)c(nn2)C	393
+c1ccc2c(c1)C(=O)N(C2=O)CCc3ccc4nc(N)c5nc(CCOC)n(c5c4c3)CCCN6C(CCC6)=O	461
+c1ccccc1-c2c(nnc(c2)N)Cl	1969
+c1cc(ccc1)-c2c(c(ncc2)N)[N+]([O-])=O	664
+c1ccccc1-c2nc([nH]c2)CC3COCc4ccccc4CN3S(=O)(=O)c5c6c(ccc5)cccn6	2841
+c1ccccc1C(C)N2CCC(C2C(N)=O)CN=[N+]=[N-]	327
+C1CC(CCC1c2nc(c3c(N)nccn23)I)CNC(OCc4ccccc4)=O	522
+c1ccccc1COC(N2C(CCC2)c3oc4c(cccc4C(N)=O)n3)=O	2692
+c1ccccc1-c2nc(Nc3ccccc3)nc(n2)N	1342
+c1(N)ncc(c(n1)-c2n(C)c(C)nc2)F	911
+C(OC)CCNc1nc(Cl)cc(n1)N	266
+n1c(nc(cc1NCC(C(N)=O)O)C(=O)N)Cl	327
+n1c2c(ccc1)cc(cc2)C(=O)N	666
+n1n2CCCC(c2c(c1C(=O)N)[N+](=O)[O-])=O	1134
+c1(c(C)cc(cc1Br)F)C#N	1879
+CC(C)C(CCC#N)c1c(OC)ccc(c1)C	300
+c1cc(ccc1Oc2cc(C#N)nc(C)n2)CS(=O)(=O)NC	2266
+O=S(=O)(c1cc(ccc1)C(O)CC#N)NC2CCCCC2	830
+C1CC(CCC1COC=C)CC#N	300
+c1(c([N+]([O-])=O)cc(C)c(C#N)c1)OC	1879
+c1(CC)c(ccc(CC#N)c1)Br	177
+c1(I)cc(ccc1F)CC#N	163
+c1(OC)cc(F)cc(CC#N)c1	177
+c1(ccccc1Oc2c(OC)c(ccc2)CC#N)C	177
+c12c(ccc(C#N)c1nccc2)[N+]([O-])=O	2779
+C1(CC)Oc2c(OC1)ccc(C#N)c2	1013
+c1c2c(cc(CC#N)c1)CCC2	177
+c1cc(ccc1)C(CC(OCC)=O)Nc2c([N+](=O)[O-])ccc(n2)C#N	577
+c1cc(ccc1)CN2CCC(C2)CC#N	913
+c1cc(ccc1)Oc2c(c(CC#N)ccc2)OC	163
+c1cc(ccc1)Oc2cccc(n2)C#N	1704
+c1cc(ccc1C2CC2CC#N)Br	2771
+c1cc(ccc1C(C2CCC2)=O)CC#N	163
+c1cc2c(ccc(NC(C)=O)n2)cc1CC#N	163
+c1cc(ccc1)Cc2c(CC#N)cccc2	163
+c1ccccc1OCc2cc3c(ccc(C#N)c3)o2	1013
+c1ccccc1Sc2c(cc(cc2)F)CC#N	177
+c1ccccc1Sc2ccc(cc2C)CC#N	177
+c1c(Cl)cc(cc1Oc2c(n(Cc3nnc(o3)N)nc2CC)CC)Cl	1517
+n1n2c(N)nnc2c(c(CC)c1Cl)C	4826
+c1cc(ccc1CCC2NC(OC2)=N)NS(=O)(=O)c3cccc4cnccc34	4828
+c1ccccc1C(CCC2COC(N)=N2)C	4827
+CC(C)(c1cc2cnn(c2cc1)-c3ccc(cc3)F)C(C)(C)C(=O)N	3536
+c12c(cccc1)C(=O)N(C2=O)CC34CC5CC(NCC(=O)N6C(C#N)CCC6)(C(C5)C3)C4	402
+Cc1cc(cc(C)c1Br)C=CC#N	858
+C(#N)COc1c(C=O)cccc1C	489
+O=S(=O)(C(C)C)NCC(C)c1ccc2cc(OCC#N)ccc2c1	489
+c1cc(ccc1-c2ccc3c(c2)c(CCCCC)c(n3C)-c4ccccc4)OCC#N	489
+c1cc(ccc1OCC#N)C=2C=CC(N(C=2)Cc3c(cc(Cl)cc3)F)=O	489
+c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CN(CCC4)C(CC#N)=O)Oc5cccc(F)c5	10
+c1cc(ccc1F)NC(C2(CC2)C(=O)Nc3cc(c(cc3F)Oc4ccnc(NC(=O)CC#N)c4)F)=O	142
+c1cc(ccc1OCCOC)C(NC(=O)CC#N)CC	9
+c1cc(ccc1C)CC(C)(C)NC(CCl)=O	4286
+c1ccccc1C(c2c(Cl)c(c(OCC#N)cc2)Cl)=O	3798
+c1ccccc1C2(c3ccccc3)CCN(CC2)CC#N	1321
+c1(OC)c(OC)nc(C#N)cc1	4094
+c1(c(c(cc(C#N)c1N)F)F)CSC	1926
+N(=C(C(=O)O)c1csc(N)n1)OC	3
+CN(C)S(=O)(=O)c1c(c(NC(Nc2cccc(c2Cl)F)=S)ccc1Cl)O	773
+C(c1ccc(Cl)c2nc(Nc3ccc(cc3C)C(=O)N)n(c12)CCCO)(=O)OC	3023
+c12C(=O)C(Nc1c(Cl)cc(c2)F)=O	4834
+CN(c1nc(Cl)ncc1)c2cc3c[nH]nc3cc2	860
+C(OCCON=C(C(=O)NC1C(N2C1SCC=C2C(=O)O)=O)c3csc(N)n3)C	999
+n1(CCO)cnc2cccc(Br)c12	1449
+N(CCO)c1c(Br)cccc1N	0
+c1c(c(-c2nnsc2)ccc1)CN	18
+c12c3c(cccc3)ncc1nc(CCC)n2CCCC(=O)N(OC)C	978
+c1c(Br)c(ccc1)OC(CCC)C(=O)N(C)OC	1080
+c1cc(ccc1)CN(C)CC(N(OC)C)=O	164
+c1cc(ccc1)CN2CC(C(=O)N(C)OC)CCC2	164
+c1cc(ccc1N2C(C(CCC(N(C)OC)=O)C2c3ccc(cc3)OCc4ccccc4)=O)F	164
+N(CCc1cc2c(OCO2)cc1)c3c4c(nc(-n5ccnc5C)n3)sc(C)c4C	937
+C(CN1C(c2c(c(sc2N(C)C1=O)-c3cc(c(cc3)Cl)Cl)C)=O)CO	268
+O=S(=O)(N)c1cc(c(cc1C(C)C)C#N)C(C)C	3057
+O=S(=O)(C)NCC(Nc1c(Cl)cnc(Nc2cc3c(cc2)CCN(CC3)CCOC)n1)C	55
+CCN1c2nc(F)ccc2N(C)C(c3c1ncc(c3)CCOc4ccnc5ccccc45)=O	1175
+c12c(F)cccc1CC(=O)N2C	1562
+N1(c2cc(cc(c2)-n3nnnc3)C(=O)O)C(C=C(C=C1)C)=O	1
+C1(=O)c2ccccc2C(=O)N1CC3N(c4c(c(c(C)cc4)COc5c6nc(C)ccc6ccc5)C)CCC3	332
+N1=NN(c2c(Cl)ccc(c2Cl)C(=O)O)C(=O)N1C	1
+N1CCN(Cc2cc(ccc2)Br)CC1C	48
+C1CN(CC(C)N1)c2nccnc2Cl	317
+c1(C)cc(Br)cnc1N2CC(C)NCC2	323
+Cc1cc(n[nH]1)Nc2c(cnc(Nc3c(C)cc(c(c3)C)C4NCCCC4)n2)Cl	55
+c1ccccc1COC(N2C(C)CN(Cc3cc(Br)ccc3)CC2)=O	66
+c1cc(ccc1Br)OC(N2CCc3c(O)nc(nc3C2)C)=O	66
+NC(N)=Nc1nc(-c2cccc(CSc3[nH]c4ccccc4n3)n2)cs1	602
+c1cc(ccc1CC(F)F)C2CN(CC(c3nc(CCOC)no3)C2)C(C)=O	1166
+c1ccccc1CN2Cc3nc(C)nc(O)c3CC2	3490
+c1cc(ccc1-c2ccccc2C#N)Cc3c(nc(nc3O)CC)CCC	3945
+C(N)(Nc1cc(I)ccc1)=O	2278
+C1CC(CCN1CCP(OCC)(OCC)=O)NC	87
+O(c1ccn2c(c1)nc(C)c2C(=O)NC)C	312
+c1c(c2[nH]ccc2cc1)CNC	249
+O=S(=O)(C)c1cc(ccn1)C(NC(c2cncc3c2cnn3-c4ccc(cc4)F)=O)CC(=O)NC	248
+CCOC(C1C(C1)CNC)=O	285
+n1n2cc(-c3cc(ccc3)C#N)nc2ccc1NC	232
+c1c([N+]([O-])=O)cccc1C(NC)=O	93
+c1cc(CNC)cc([N+]([O-])=O)c1OC	370
+c1ccccc1-c2c(nc(SC)nc2)NC	40
+c1cc(ccc1-c2[nH]c(-c3ccccn3)c(-c4ccc5c(c4)OCO5)n2)C(NC)=O	93
+c1cc(ccc1C2(O)CN(CC2)CCCOc3c(cc(Cl)c(c3)OC)C(=O)NC)Cl	513
+c1cc(ccc1OC)COc2ccc(CNC)cc2Br	42
+c1cc(ccc1C2C(c3cc(Cl)ccc3)CC(CC=C)(C(N2C(CNC)CC)=O)C)Cl	110
+c1cc(ccc1F)-c2oc3c(c4c(OC(C)(C)C4)cc3)c2C(=O)NC	1036
+c1cc(ccc1O)C(c2ccc(c(c2)Br)OCCNC)=C(c3ccccc3)CC	132
+c1cc(ccc1[N+]([O-])=O)Oc2cc(ccc2)C(NC)=O	14
+c1cccc2c1snc2NCCNC(c3ccc(cn3)C(NC)=O)=O	56
+c1cc(ccc1CNC)Oc2cncnc2	42
+c1ccccc1-c2nc(NC)nc(Cl)n2	387
+c1c(Nc2cncc(-c3ccccc3F)c2C#N)c(F)cc(I)c1	274
+O(C)c1cc(OC)c2c(nc(nc2O)-c3nc(F)ccc3)c1	2863
+N#Cc1cc2c(CCCC2)c(c1OC)I	274
+c1cc(ccc1)C=2CCN(CC=2)CCCC(=O)Nc3ccccc3C(=O)N	1822
+c1cc(ccc1C#N)OCCCCCOc2ccc(cc2)-c3csc(C)n3	963
+O=S(=O)(C)NCC(N)C	111
+n1c(N[N+]([O-])=O)ncc(c1O)Cc2cc(ccc2)OC	4847
+NC(N)=Nc1scc(n1)-c2nc(ccc2)CO	629
+NC(N)=Nc1scc(-c2nc(C(=O)O)ccc2)n1	1
+c1cc(ccc1Cn2nccc2)Oc3ccc(cn3)N4C5(C(=O)NC(NC5=O)=O)CCC4=O	3524
+C(CCON=C(c1csc(N)n1)C(=O)OCC)CCCCC	1145
+N(=C(C(OCC)=O)c1csc(N)n1)OC	1145
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC(C)(C)c3nc(N)sc3	1102
+CC(C)c1ccc(cc1)-c2csc(N)n2	354
+c1c2C(=O)N(C(=O)c2ccc1)C3C(CCC3)O	672
+c1[nH]c2c(c1CCCNC3Cc4c(OC3)c(F)ccc4C(=O)N)cc(cc2)F	132
+c1nc(ccc1C(Nc2ccccc2N)=O)NCCN	70
+O=S(=O)(NCc1c2ccccc2ccc1)c3sc(Cl)c(Cl)c3	1427
+c1c(F)c(c(cc1-c2nnc(cc2)O)F)OCCCCl	4850
+n1ccc(-c2cc(nc(NN)c2)F)nc1Nc3ccnn3C	1606
+c12cc(ccc1c(-c3cccc(OC)c3)nnc2O)OC	1055
+c1(Cl)cc(cc(Cl)c1)Oc2c(CC)n(CC(NN)=O)nc2CC	561
+c1cc(ccc1Br)C2C(C2)CC(=O)NN	355
+c1cc(ccc1CC(=O)OC)Oc2cc(NC(=S)NN)ccc2	4757
+c1cc(ccc1F)C(C)(C)CNc2ncc(cn2)-c3ccc4c(c(n[nH]4)N)c3	575
+c1cc(ccc1C(NN)=O)NC(CCc2cc3c(OCO3)cc2)=O	296
+NNC(c1cccc(c1)I)=O	296
+c1ccccc1COc2cnc(cc2O)C(=O)NN	2944
+c1c(c(ccc1)-c2nc(nc(NN)c2)CC)OC	1021
+c1c(Br)cc2c(c1)-n3c(nnc3C)CC2	1447
+c1ccccc1C(C)=NNC(c2c(c(ccc2)[N+]([O-])=O)O)=O	2085
+O=S1(=O)Nc2c(N1c3ccccc3F)cccc2	3095
+c1(cc2ccc(-c3c(N)nccc3)cc2cc1)OC	89
+COc1c(cc2nncc(c2c1)O)CC	4858
+c1cc(ccc1C)S(=O)(=O)N(CC)c2cc(-c3ccnc4c(cnn34)C(c5occc5)=O)ccc2	2214
+c1(OC)cc(C(=O)Nc2c(c(ccc2C)O)C)cc(-c3cc(F)ccc3)c1	67
+c1c(c(c(C(Nc2c(C)c(ccc2C)O)=O)cc1-c3cc(ccc3)F)F)C	67
+Clc1cc(C(=O)O)c(N)c(C)c1	196
+C(=O)(O)C=Cc1c(NC(C)=O)cc(Cl)c(OC)c1	26
+c1cc(ccc1C#N)Oc2cccnc2N	551
+Cc1c(Cl)c(Br)ccc1	480
+c12c(Cl)c(ccc1n[nH]c2)Br	1559
+C12NCCOC1CN(CC2)c3c(c(N)cc(C#N)c3)Cl	15
+Nc1c(C)c(c(cc1)C#N)F	180
+c1c(I)cc(c(Nc2cc(cc(Oc3c(c(N)ccc3)C)c2[N+]([O-])=O)F)c1)F	46
+O=S(=O)(c1ccc(F)cc1Br)Nc2ccc3c(c2C(=O)OC)OCC4CC34	69
+c1ccccc1CCCN2c3nc(Nc4ccc(cc4OC)C(=O)O)ncc3N(C(=O)C(F)(F)C2)C	55
+O=S(=O)(C)c1cc(c(cc1)OC)C(=O)Nc2c(-c3ncccc3)[nH]nc2	1404
+n1ccc(OC)nc1Nc2cc(C)cc(-c3sc(nc3Cl)N4CCCNC(=O)C4)c2	55
+c1ccccc1C(=O)Nc2cc(C)ccc2[N+](=O)[O-]	50
+C(c1c(Cl)cc(N)c(C#N)c1)CC	4868
+c1ccccc1COC(Nc2ccc(c(F)c2)N3CC(=O)N(CC3)CC)=O	90
+[N-]=[N+]=Nc1cc(O)c(cc1)C(=O)O	615
+Nc1cc(O)c(cc1Cl)C(=O)O	5
+n1c(ccnc1Cl)Nc2cc(c(F)cc2)C#N	73
+O=S(=O)(C)Nc1ccc(F)c(c1)C(=O)C	80
+COc1c(ccc(N=C=S)c1)-n2cnc(Cl)c2	1381
+c1cc(ccc1Cl)C2c3nc(nc(c3CC2)N(C)C)Nc4cc(OC)c(cc4)-n5cc(nc5)Cl	55
+c1cc(ccc1C2c3c(c(N4CCC(CC4)(O)C)nc(Nc5ccc(c(OC)c5)-n6cc(nc6)Cl)n3)CC2)F	55
+c1ccccc1C2c3nc(Nc4ccc(c(c4)OC)-n5cc(nc5)Cl)nc(NC)c3C(C2)=O	55
+c1cc(cc(c1CC)O)C(=O)C	606
+c1cc(ccc1C#N)-c2cccc(-c3[nH]c4c(cc(C#N)cc4)n3)n2	567
+COc1c(cc(cn1)C(=O)OC)O	4871
+c12nc[nH]c1nc(nc2Nc3cc4c(CCC4)cc3)Cl	1185
+CC(C)(c1ccccc1)Nc2nc(Nc3cc4scnc4cc3)nc(OCc5ccccc5)n2	360
+n1(ncc2c1ccc(c2)NC(Nc3cccc(Oc4ccnc(c4)C(=O)OC)c3)=O)C	4767
+O=S(=O)(c1ccc(cc1)C)n2ccc3c(Nc4ccc5cnn(c5c4)C)nc(nc23)Cl	1665
+c1nc(ccc1)C(=O)c2ccc(c(N)c2)N	0
+O=S(=O)(Cc1ccc(cc1O)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)C	67
+O1CCOC12Cc3sc4ncnc(Nc5cc(c(F)cc5)Cl)c4c3CC2	1500
+n1c(ccnc1Cl)Nc2cc(Cl)c(F)cc2	73
+c1(ccc(Cl)cc1C)-c2ccc(N)cc2Cl	134
+c1c(c(Cl)c(F)cc1)NC=O	753
+c12OC(C)Cc1cccc2NN	427
+N(c1c2cccnc2ccc1)=C=S	1034
+c1cc(ccc1C#N)-c2c(Cl)nc(N)cn2	356
+C1(=O)c2ccccc2C(=O)N1c3cc([nH]n3)C	1765
+Cc1cc(Nc2cc(nc(SC)n2)Cl)n[nH]1	349
+Clc1cc(c(c(Cl)c1)Cl)-c2c(N)nc(Cl)cn2	356
+c1cc(ccc1-c2[nH]c3c(ncc(c3)Br)n2)-c4cnco4	2671
+c1ccccc1-c2ccnc3c2nc(-c4ccnc(c4)N)[nH]3	2245
+c1cc(ccc1[N+]([O-])=O)Oc2cc(ncc2)N	242
+c1cc(ccc1)OC(=O)Nc2nccs2	810
+c1cc(ccc1)OC(=O)Nc2nc3c(cc(cc3)SC#N)s2	810
+c12c(C)csc1ncnc2C(=O)O	876
+c1ccccc1C(c2ccccc2)N3CC(C3)C(O)=O	459
+c1nc(ncc1)-c2ccc(C)nc2C(O)=O	876
+c1cc(ccc1CS(=O)(=O)NC)O	477
+O=S(=O)(c1c(Cl)ccc(c1O)[N+](=O)[O-])NC2CC2	1683
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1O)Cl)N(C)C	1683
+c1cc(ccc1-c2cnccc2)C(O)=O	820
+c1cc(ccc1OCCCCCCCCCC)-c2ccc(cc2)C(O)=O	4879
+Clc1cc(c(cc1C(=O)O)[N+]([O-])=O)O	1772
+c1(ccc(F)c(CC)c1Cl)C(=O)O	2199
+O=C(O)c1c(Sc2ccccc2O)cc([N+]([O-])=O)cc1	477
+c1cc(ccc1O)C2C(C(OCC)=O)N(C(=O)C2)C	477
+c1cc(ccc1CC(C(OC)=O)=C(C(=O)OC)C(C)C)C(=O)O	500
+c1c2c(nc(nc2n(c1)C)Cl)O	4585
+O(C(=O)C(C(OCC)=O)(Cc1ccc(cc1)N)C)CC	0
+C1(C(CN(CCSc2c(ccc(F)c2)F)CC1)C(=O)O)CCC(=O)c3c4c(ccc(OC)c4)ncc3F	4
+C(CCCCC(O)C)(OC)=O	100
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(NCCCCCCC(OC)=O)=O	14
+O=S(=O)(C)OC1CN(C(OCC=C)=O)C(COCCO)C1	66
+c1(cc(cc(I)c1O)C(=O)c2c3ccccc3oc2CCC(OCC)=O)I	3102
+c1cc(ccc1C)S(=O)(=O)N(CC)c2cccc(C(=O)C=CN(C)C)c2	277
+CN(C)C=CC(=O)c1ccncc1	277
+O=C(O)c1cc2c(c(F)c1Nc3ccccc3F)nco2	2577
+c1(Cl)c(cccn1)C(=O)OC	4654
+O(C)C(OC)c1c(Br)cnc(Cl)c1	1416
+COC1CCN(c2ccc([N+]([O-])=O)cn2)C1	43
+c1(OC)c(scc1C#N)-c2ccc3c(c2)CCCC3	268
+O(C)c1c(Cl)cc(c(F)c1[N+](=O)[O-])CO	41
+C(OP(OCC)(=O)Cc1cc(c(c([N+](=O)[O-])c1F)OC)Cl)C	590
+O(C)c1c(NC(OCC)=O)c(F)cc(c1N)Cl	0
+O=Cc1c(c(c(c([N+]([O-])=O)c1)O)O)Cl	5
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)Oc3cc(OC)cc(OC)c3	1505
+c1cc(ccc1)C(Nc2cc(ccc2N=Cc3cc(OC)c(c(c3)OC)OC)C)=O	457
+O(C)c1cc2CCC(Cc2cc1)c3c(NCC)cc(OC)cc3	15
+n1c(c(cc(Br)c1)-c2c(N)cnc(OC)c2)F	3103
+O(C(=O)C(C(=O)CCl)=NOCCCCCCCC)CC	969
+O(CC)C(C(Oc1cc2c(cc1)ncc(c2)Br)CC)=O	289
+c1c(Br)c(ccc1)OC(C(OCC)=O)CCC	289
+C(Cn1c2nc(nc(Cl)c2nc1)N)C(F)CO	44
+c1c2c(ccc1OC(C(=O)O)CC)ncc(c2)Br	3
+Nc1c(C=CC(=O)O)cc(c(Cl)c1)OC	108
+C(OC(CCc1ccc(N)cc1F)=O)C	159
+c1c(-c2ccc3OCOc3c2)ccc4c1CCC(=O)C4C(=O)OCC	4892
+O(CC)C(c1cccc(-c2ccccc2-c3cc(ccc3OCc4ccccc4F)Cl)n1)=O	22
+c1cc(ccc1F)COc2c(cc(Cl)cc2)C=3CCCCC=3c4nc(ccc4)C(=O)OCC	22
+O(CC)P(OCC)(C(F)(F)c1ccc(cc1Cl)CN(S(=O)(=O)c2c(C(=O)N)cccc2)Cc3ccccc3)=O	692
+S(c1ccc2CCCC(=CC#N)c2c1)C	2011
+O(CC)P(OCC)(NC1CNCCC1Cl)=O	62
+O(CC)P(OCC)(=O)NC1C(Cl)CCN(c2ccncc2N)C1	13
+O=S(=O)(N(Cc1cc(Cl)c(cc1)C(F)(F)P(=O)(O)OCC)Cc2ccccc2)c3c(C(=O)N)cccc3	228
+C(C)OP(OCC)(=O)CCNC1CCN(CC1)Cc2ccccc2	132
+CCOP(OCC)(Cc1cc(Br)c(c(Br)c1)Oc2cc(C(C)C)c(cc2)O)=O	590
+c1cc(ccc1C)-c2c(c(CC(C)C)nc3ccc(cc23)OCCOC(=O)C)C#N	8
+C(OCCN1Cc2ccc(OCc3cccc(F)c3)cc2CC1)C	28
+C(CON=C(C(=O)C)C(OCC)=O)OCC	1071
+c1ccccc1CNCCCCCCOCCC#C	132
+c1c(cccc1CCCCOCCCCCCBr)NC(N)=O	213
+c1cc(ccc1)CC(=O)C=CC2N(CCCCOCC(=O)OC)C(CCC2)=O	1278
+O(CCCCN1C(=O)CCCC1C=O)CC(OC)=O	24
+c1(cc(cc(C)c1-c2cc(ccc2)C=O)OCCOCC)C	72
+O(CCN1C(c2ccc(Cl)c(N)c2C=C1)=O)C(C)=O	0
+n1(c(nnn1)Br)CCO	59
+O(Cc1cccc(F)c1)c2cc3c(cc2)CNCC3	162
+c12OC(C)Cc1cccc2NNC(=O)N(OC)C	2452
+O(c1c(CO)cc(F)c(C)n1)C	382
+n1ccc(NC(C)c2ncc(cc2)F)nc1Nc3cccnc3OC	949
+O(c1c(cccn1)CO)C	269
+c1cc(ccc1-c2ccc(cc2)Br)OCc3cccnc3OC	20
+c12c(cccc1)C(=O)N(C2=O)CCCCCCCCOc3cc(ccc3)F	1656
+O(c1c(cc(c(F)c1)N)F)c2ccnc(c2)NC(=O)CC	0
+O(c1cc2c(cc1)C(O)CCC2)c3ncc(cc3)C(=O)N	74
+O(c1cc2nc[nH]c2cc1)CCCCCCCCCCCCN=[N+]=[N-]	310
+C1c2c(ccc(OC)c2CC1)OCC(=O)c3sccc3	702
+c1cc(ccc1Br)CN2C=CC=C(OC)C2=O	4896
+O=C(NC)c1c(C)nc2n1ccc(O)c2	5
+O(c1ccn2c(c1)nc(C)c2C(=O)O)C	6
+O(c1ncc(CO)cc1[N+](=O)[O-])C	382
+O(c1ncc(cc1[N+](=O)[O-])C=O)C	200
+O1CCOC12CC3CCOc4c(cc(C)c(N)c4)C3(CC)CC2	2471
+c1(C=O)cccc(OCC2CO2)c1	8
+c1c(c(N)ccc1Oc2c3cc(C#N)c(OCC4CO4)cc3ncc2)F	8
+c1cc(ccc1)CCCCCCCCOCC2OC2	176
+C(C(=O)O)COc1cccc(Cl)c1Cl	4602
+c1cc(ccc1OCC2CO2)C=3C(c4c(OC=3)cc(OC)cc4)=O	72
+c1cc(ccc1C=2CCN(C(=O)OCc3ccccc3)CC=2)N4CC(OC4=O)CO	1774
+C1C=C(c2ccc(N3CC(CO)OC3=O)cc2F)CCS1	1774
+c1(N2CC(CO)OC2=O)ccc(N3CC(N(CC3)CC)=O)c(F)c1	1774
+NC1Cc2c(OC1)c(F)ccc2C(=O)N	157
+C1CCCC(n2c3c(c(Cl)c(cc3)Br)cn2)O1	580
+C1OC(CCC1)OCCn2c(nnn2)Br	219
+c1cc(ccc1F)-c2oc(C)c(CC(NCC3CN(C(c4cc(Cl)c(Cl)cc4)=O)CCO3)=O)n2	9
+C1COC2(CCC3(CC2)C(O)=C(c4c(ccc(c4)Br)C)C(=O)N3)O1	997
+O1CCOC12CCC(CC2)(C(=O)OC)NC(Cc3cc(ccc3C)Br)=O	726
+C1COC2(O1)CCC(CC2)(c3ccc(cc3)Br)CO	21
+c1cc(ccc1N2CCC(CC2)=O)C(=O)O	97
+O1CCOC12CCN(CC2)c3ccc(cc3)C(=O)O	6
+c1cc(ccc1N2CCC3(CC2)OCCO3)NS(=O)(=O)c4ccc(cc4)NC(C)=O	69
+O1CCOC12CCN(CC2)c3ccc(cc3)N	0
+C1CC(Cc2sc3ncnc(c3c12)Nc4cc(Cl)c(F)cc4)=O	97
+CC(C)(c1cccc(c1)C=O)COC	494
+c1ccccc1COc2cc3c(cc2)C(=O)NCCO3	22
+c1cc(ccc1S(=O)(=O)OCC2Oc3c(Br)cccc3OC2)C	36
+C1(N(c2c(Cl)cccc2)N=C(C(OC)=O)C1)c3ccc(Br)c(F)c3	4899
+Clc1ccc2cc(C(=O)OCC)[nH]c2c1	3056
+c1(ccc(cc1[N+]([O-])=O)C)Sc2cc(ccc2)NC(C)=O	26
+C(C)c1c(NC(C)=O)cccc1	26
+c1cc(ccc1OC(=O)C)OC	385
+c1cc(ccc1OCCCN2CCCC2C)-c3sc4CCC(c4n3)NC(C)=O	68
+c1cc(ccn1)SCCCN(C(C)=O)Cc2ccccn2	58
+c1cc(ccc1)-c2c3c(-c4nnn(c4)Cc5ccccc5)nc(C(=O)NCC(=O)O)c(O)c3on2	1480
+c1cc(ccc1)Oc2cccc3c(nc(C(NCC(O)=O)=O)c(O)c23)C#N	3110
+N(c1c(O)cc(c(Cl)c1)Cl)CC(O)=O	3
+c12C(NC(=O)c3cnc4c(c3)CC5(c6cccnc6NC5=O)C4)CCC(C(N)c1cccn2)c7c(c(ccc7)F)F	18
+c1(c([N+]([O-])=O)cc(C)c(c1)C(=O)O)OC	4653
+c1(c(cc(C)cc1)Nc2c(C(=O)OC)cnc(O)c2)Cl	3111
+c1c(c(ccc1C(COC(C)=O)=O)O)OC	4445
+c1cc(ccc1Cl)C(=O)c2cccc(C(=O)O)c2C	944
+C1CN(CCN1c2ccc(cc2)C(=O)O)Cc3ccccc3	944
+[O-][N+](c1cc(c(cc1)CO)Sc2ccccc2O)=O	49
+Fc1cc(CO)c(F)cc1Cl	611
+c1c(I)cc(c(Nc2c(c3c(ocn3)cc2C(=O)O)F)c1)F	235
+c1cc(ccc1N=Nc2ccc(O)c(C(O)=O)c2)OCCCCCCCCBr	725
+c1ccccc1COC(NC(C(NCC(NC(c2cc3c(o2)cccc3)=O)C(C)C)=O)C(C)C)=O	1619
+O=C(OCC)C(=NOC)C(CCl)=O	969
+O=S(=O)(c1cc(c2c(c1)OCCO2)C(O)=O)Cl	243
+C(NCc1ccc(c(Cl)c1)Cl)(c2sc(cc2)C(=O)OCC)=O	1256
+O=C(c1ccc(c(c1O)O)N)O	0
+O=S(=O)(Cl)c1ccc(c(c1)C(O)=O)Cl	240
+c1(C(=O)O)ccccc1Sc2c(cccc2)OC	826
+c1(cc(-c2c(cc(c(c2C)Cl)O)C)ccc1)C=O	196
+O(c1ncc(Cl)c(C)c1Br)C	395
+c1cc2c(Cl)cnc(O)c2cc1	395
+c1cc(ccc1C(=O)N2Cc3n(-c4c2cccc4)c(Cl)cc3)NC(c5c(cccc5)C)=O	2148
+c1cc(ccc1CCl)OCc2ccc3ccccc3n2	2845
+c12c(OCO1)cc(c(c2F)I)F	235
+c1cc(ccc1C=C2SC(=O)NC2=O)-c3cccc(C(OCC)=O)c3	377
+O=C1c2c(cccc2)C(=O)N1C(c3ccc(cc3)-c4c(O)nccc4)C	104
+c1cc(ccc1C(C)N2C(c3c(C2=O)cccc3)=O)Br	672
+c1ccc2c(c1)C(=O)N(C2=O)CCc3cc4c5c(nc(CCOC)n5CCCN6C(CCC6)=O)cnc4cc3	4924
+c12c(cccc1)C(=O)N(C2=O)CCCNc3ccc(cc3F)C4=CC(=O)c5c(O4)c(F)cc(c5N)F	621
+S(CCN)Cc1oc(cc1)CO	45
+c1(cc(nn1Cc2ccccc2OC)N)C	1131
+Clc1c(cc(c(c1)F)C(=O)O)OCC=C	595
+c1cc(ccc1)COc2c(c(c(cc2)C(=O)O)F)F	634
+c1ncncc1-c2c(-c3ccc(cc3)NCCCl)[nH]c4ncc(Cl)cc24	291
+c1n2c(nc1)cc(C)c(Cl)n2	3117
+c1ccccc1CN2C3(CC3)CN(CC2)c4cc5c(cccc5)c(c4)CC(=O)N	2125
+Clc1c(C=C)c(F)ccc1	4930
+n1c(c(cc2c(Cl)cccc12)C=O)-c3cc(ccc3)F	691
+c1cc(cc(c1)-c2ccc(F)c(c2)CNc3c(c(OC)ccc3F)C#N)F	208
+COc1cccc(C=NO)c1F	135
+c1(O)c(Br)cc(c(C)c1C=O)[N+](=O)[O-]	77
+COc1cc([N+]([O-])=O)ccc1-c2cnco2	2288
+[nH]1cc(c2cc(ccc12)CCCl)C#N	4934
+O(C)c1c(Cl)cc(c(F)c1[N+](=O)[O-])C=O	77
+O=Cc1cc(Br)c(cc1Cl)O	5
+c1cc(ccc1OC)C(O)c2c(Cl)cc(c(c2)Br)OCC=C	257
+COc1c(C(C)O)cc(cc1Cl)F	449
+C(CCOc1ccc(cc1CO)Br)CCCCC	41
+Cc1c2nc(c(cc2ccc1)C=O)-c3c(OC)cccc3F	691
+c1ccccc1C(C=Cc2ccc(cc2F)C=CC(O)=O)=O	307
+O=Cc1ccc(Cl)c2c1n3CCCN(c4ccc(C#N)cc4C)c3n2	274
+O=Cc1cc(Cl)c(OC)cc1F	662
+Fc1c(C(c2ccc3c(c2)ccc(OC)c3)O)ccc(OC)c1	257
+c1cc(cc(Br)c1Oc2ncc(C=O)cc2)C#N	136
+c1cc(ccc1-c2nc(ccc2)C=O)C#N	119
+c1cc(ccc1OCCOC)C(CC)NC(C(=Cc2nc(Br)ccc2)C#N)=O	4463
+c1cnccc1-c2ncccc2OC3CCN(CC3)Cc4cnn(C)c4	678
+CC(C)S(=O)(=O)NCC(C)c1cc2c(cc(OCCNS(=O)(=O)C(C)C)cc2)cc1	111
+O=S(=O)(C(C)C)NCC(C)c1ccc2c(c1)ccc(c2)OCCN	51
+O=S(=O)(C(C)C)NCC(C)c1ccc2cc(ccc2c1)O	5
+O=S(=O)(C(C)C)c1c(N)cc(C=C)cc1	0
+O=S(=O)(C)C1CC(N(C(CC(=O)C)=S)C1)C(OC)=O	4940
+O=S(=O)(C1CN(c2n(-c3cc(Cl)ncc3)nc(C)c2)C(C1)C(O)=O)C	4
+O=S(=O)(C)c1cc(C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CCOS(=O)(=O)C)ccn1	7
+O=S(=O)(C)Nc1cc(C=O)ccc1	80
+O=S(=O)(C)OCC1CN(C(=O)O1)c2ccc(N3CCN(C(=O)C3)CC)c(F)c2	7
+O=S(=O)(C)OCCCn1nc(-c2cccc(I)c2)nn1	7
+O=S(=O)(OCc1c2ccccc2cc(Br)c1)C	7
+O=S(=O)(C)OCc1cc(nc(c1)C)Br	7
+c12c(cccc1)C(=O)N(C2=O)C(CCCCOS(=O)(=O)C)(C#N)CF	7
+O=S(=O)(Nc1ccc(cc1Sc2ccc(F)cc2F)C(=O)NCC)C	80
+O=S(=O)(Nc1ccc(C(C)=O)cc1Sc2ccc(F)cc2F)C	80
+c1cc(ccc1C2CC2CCOS(=O)(=O)C)-c3ccc(cc3)C#N	7
+c1cc(ccc1-c2sc(cn2)C(Nc3nccc(N4C(COC4=O)C(OS(=O)(=O)C)C)n3)C)Cl	7
+C1CN(CCN1S(=O)(=O)C)c2ccc(cc2)Br	112
+c1cc(ccc1NS(=O)(=O)C)C(=O)C	80
+c1cc(ccc1C2(CC3CC2CC3)c4ccc(cc4)-c5nc(on5)COS(=O)(=O)C)OCc6ncccc6	7
+c1cc(ccc1Cl)C2N(C(C(CC2c3cccc(Cl)c3)(CC=C)C)=O)C(CN(C)S(=O)(=O)C)CC	112
+c1cc(ccc1C=2CCN(C(=O)OCc3ccccc3)CC=2)N4CC(COS(=O)(=O)C)OC4=O	7
+O=S(=O)(C)OCCCc1ccc(cc1)CCCCC	7
+c1cc(ccc1Cc2[nH]c3ccccc3n2)C(N4CCC(C4)OS(=O)(=O)C)=O	7
+c1cc(ccc1Cl)CNC(=O)C2=CN(c3cc(sc3C2=O)CCl)CC(=O)N(C)OC	1732
+O=S(=O)(OCCCN1c2c(C=3C=CC(=O)N(c4c(cccc4)C)N=3)c(-c5ccc(cc5)F)nn2CC1)C	7
+c1cc(ccc1F)C(NC2CCN(CC2)S(=O)(=O)C)=O	112
+c1cc(ccc1CCl)OCC=C	438
+c1ccccc1C(=O)OC2C(F)CN(CC(CC#N)OS(=O)(=O)C)CC2	7
+O=S(=O)(C)OC(c1ccc2nccnc2c1)c3ccccc3	7
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(CCOS(=O)(=O)C)nc4	7
+c1ccccc1C(c2ccccc2)C3OCCC(C3)OS(=O)(=O)C	7
+c1ccccc1C2(CC2)c3nc4c(nc(-c5ccc(cc5F)CCNS(=O)(=O)C)s4)cc3	111
+c1ccccc1COc2c(cc(CN(CCc3ccccn3)C(=O)CCCCc4ccccc4)cc2)COS(=O)(=O)C	7
+C1CN(CCC1)c2cc(ccc2N)N(C)S(=O)(=O)C	0
+C1CC(CCN1c2ccc(cc2)C(=O)NCCC(=O)OCC)NCC(O)c3cc(NS(=O)(=O)C)c(O)cc3	87
+C1CC(CCN1c2ccc(cc2)C(=O)O)NCC(O)c3cc(NS(=O)(=O)C)c(O)cc3	87
+c1ccccc1CN(Cc2ccccc2)CC(c3c(ccc(NS(=O)(=O)C)c3)F)=O	676
+O=S(=O)(Nc1cc(ccc1)C(C)O)C	449
+C(OCCO)C1CC(SC(=O)C)CN1C(OCC=C)=O	4943
+[N-]=[N+]=NCC1OC(=O)N(c2ccc(N3CC(N(CC3)CC)=O)c(F)c2)C1	133
+O=S(=O)(c1cc(ccc1)F)c2ccc3CCC(CN=[N+]=[N-])Oc3c2	133
+C(CCc1cccnc1)C(SCC(=O)OCC)CCCCN=[N+]=[N-]	133
+c12c(cccc1)C(=O)N(C2=O)CCCc3ccc(cc3)CCCCC	896
+[N-]=[N+]=NC1C(CN(CCN2c3cc(cc(F)c3C=CC2=O)F)CC1)O	2848
+C1CCCCC1CCCCc2n(c3c(cccc3)n2)CCOc4c(C(=O)OC)cc(CC5C(NC(=O)S5)=O)cc4	262
+[N-]=[N+]=NCc1cc(nc(C)c1)Br	2289
+c1cc(ccc1CN2C(C)(C)CN(Cc3ncc([N+]([O-])=O)cc3)CC2)OC	2019
+O=S(=O)(C)OCc1ncc(cc1)[N+]([O-])=O	710
+c1ccccc1CN2C(C)=CC(C3=C2N(C)C(N(CCCCC(C)OS(=O)(=O)C)C3=O)=O)=O	710
+c1ccccc1COc2ccc3c(c2)c4n(c(nc4cn3)COCC)CC(C)(C)NS(=O)(=O)C	2804
+O=S(=O)(C)c1c(NC(C)c2cc(cc(Cl)c2OC)F)cc(F)cc1	60
+O=S(=O)(c1c(F)ccc(c1)-c2cc(C=O)ccc2OC)C	11
+O=S(=O)(c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCN)C	18
+O=S(=O)(C)c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCO	237
+O=S(=O)(C)c1cc(C(CCN=[N+]=[N-])NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)ccn1	133
+c1cc(ccc1)-c2c(C(OC)=O)c(cc(c2)S(=O)(=O)C)Cl	3022
+O=S(=O)(C)c1cc(C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CC=O)ccn1	1156
+O=S(=O)(C)c1cccc(C2CCN(CC2)C(OC)=O)c1F	191
+O=S(=O)(c1c(c(ccc1)C2CCNCC2)F)C	1574
+O=S(=O)(C)c1cnc(cc1)-c2c(c(CC(O)=O)cc3ccc(cc23)F)C	4
+Cc1sc(CNc2c(C)c(nc(n2)OCCCc3[nH]c4c(cccc4)n3)Cl)c(n1)C	3078
+O=S(=O)(CC)Nc1ccc(c(c1)[N+](=O)[O-])F	80
+O=S(=O)(Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2[N+]([O-])=O)c1C)CC	80
+O=S(=O)(CC)N1CC(CC1)Oc2cc(ccc2-c3ccncc3)F	112
+O=S(=O)(Nc1cc(N)c(cc1)F)CC	0
+n1cc(cnc1N2CCC(CC2)C3(Cc4cc(C5=CCN(S(=O)(=O)CCCC(=O)OC)CC5)ccc4O3)C)C6CC6	990
+O=S1(=O)N=C2C(c3cc4ccc(cc4cc3)OC)=CC=CN2CC1	1776
+O=S(=O)(CCn1ccc2ncnc(c12)Nc3ccc(c(Cl)c3)Oc4cccc5sncc45)C	1190
+O=S(=O)(Cc1cccc(c1)N)C	0
+O=S(=O)(C(C)C)NCC(C)c1ccc2cc(ccc2c1)OC	111
+c1cc(ccc1Sc2ccc(C)cc2Nc3ccnc4c3ccc(CCC)n4)OS(=O)(=O)C(C)C	444
+c1cc(ccc1Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34)OS(=O)(=O)C(C)C	444
+O=S(=O)(c1ccc(c(c1)C#N)Br)N(c2ncns2)Cc3ccc(cc3OC)OC	4951
+O=S(=O)(c1cc(c(cc1)F)Cl)N(c2ncc(cc2)F)Cc3ccc(cc3OC)OC	2023
+c1ccccc1NS(=O)(=O)c2cc(C#N)c(cc2)F	69
+c1cc(ccc1S(=O)(=O)NCCc2cc(cc(CCC(OCC)=O)c2)Cc3ccc(cc3)F)Cl	71
+c1cc(ccc1S(=O)(=O)Nc2c(OC)ccc(c2)Br)I	69
+c1cc(ccc1C(Nc2cccnc2)=O)CNS(=O)(=O)c3ccc(cc3)I	71
+O=S(=O)(Nc1ccc(cc1)C2C(C)(C)Cc3cc(ccc3N2)C(O)=O)c4cccc(F)c4	69
+O=S(=O)(c1cccc2c1cccc2)n3ccc4c(cccc34)[N+](=O)[O-]	367
+O=S(=O)(Nc1cccc2nccnc12)c3c([N+](=O)[O-])cccc3	322
+O=S(=O)(N(Cc1cc(Cl)c(cc1)C(F)(F)P(O)(O)=O)Cc2ccccc2)c3c(C(=O)N)cccc3	228
+O=S(=O)(c1c(O)c(Cl)cc(c1)Cl)N(Cc2ccc(cc2)CNCc3ccc(cc3)F)Cc4ccc(cc4)F	42
+O=S(=O)(N(c1nc(cc(c1)C(=O)O)Cl)C)C	1
+O=S(=O)(N)c1ccc(Cl)cc1CCN	524
+c1(nc(nc(OC)c1)NC(NS(=O)(=O)c2c(OC)ccc(CC#N)c2)=O)OC	1777
+c1cc(ccc1CCNC(NS(=O)(=O)c2ncc(cc2)C)=O)-n3cc(nc3CC)-c4ccccc4	1777
+C1CN(CCN1S(=O)(=O)c2ccc(c(N)c2)OC)C	0
+O=S(=O)(c1cc(ccc1)C)N2CCCc3ncc(cc23)NC(C(C)c4ccccc4)=O	469
+O=S(=O)(NC)Cc1ccc(cc1)Nc2nc3ccc(cc3c(Nc4ccccc4)n2)OC	744
+O=S(=O)(NC)Cc1ccc(cc1)Oc2cc(nc(C)n2)CNc3ncc(cn3)Cl	96
+O=S(=O)(c1cccc(OC)c1)NCCCO	21
+c1cc(ccc1OC)CN(Cc2c3ccccc3ccc2)S(=O)(=O)c4cc(c(s4)Cl)Cl	692
+O=S(=O)(Nc1cc(F)ccc1SCc2ccccc2C(=O)O)c3cc4c(s3)cccc4	1
+O=S(=O)(Nc1cccc(c1C)Oc2c(c(Nc3c(cc(cc3)I)F)cc(F)c2)N)CC	0
+O=S(=O)(c1c(cccc1)N)Nc2cccc3nccnc23	0
+c1cc(ccc1S(=O)(=O)Cl)NC(=O)c2ccccn2	240
+O=S(=O)(c1cc2c(O)ncc(c2cc1)Cl)Cl	240
+O=C(N)c1c(C)cc(cc1Br)F	2265
+c1(ccc(C(=O)N)c(F)c1C)Br	2681
+c1cc(ccc1-c2nsc(NC(NCCCN3CCCC3)=O)c2C(=O)N)[N+](=O)[O-]	1856
+c1ccccc1C(c2ccccc2)(CCCN(C)Cc3ccccc3)C(=O)N	1004
+n1c(c(ccc1F)[N+]([O-])=O)C(=O)N	862
+COc1c(Br)cc(cc1C)Br	297
+c1ccccc1Oc2cccc(c2OC)C	297
+c1cc(ccc1OCCCCCCCCN=[N+]=[N-])N=Nc2ccc(O)c(c2)C(OC)=O	3127
+c1cc(ccn1)-c2nn(C)cc2	4961
+O=S(=O)(OC1CN(C1)c2c(c3c(C(C(=CN3C4CC4)C(O)=O)=O)cc2F)F)C	108
+c1cc(ccc1OC(=O)C(C)(C)CCCCCC)OCC2CO2	2598
+O=S(=O)(c1c(C(=O)OC)cccc1)NC(=O)Nc2nc(cc(C)n2)COC3OCCCC3	1722
+O=S(=O)(NC(=O)Nc1nc(cc(C)n1)CO)c2c(C(=O)OC)cccc2	168
+c1ccccc1N2C(=O)CC(COS(=O)(=O)c3ccc(cc3)C)C2c4cc(OC)ccc4	1293
+CN(C)S(=O)(=O)c1c(ccc(NC(=S)Nc2cccc(F)c2F)c1O)Cl	773
+O=S(=O)(NC1CC1)c2c(O)c(N)ccc2Cl	0
+O=S(=O)(c1c(F)ccc(c1)-c2cc(C=O)ccc2O)C	5
+O=S(=O)(c1c(Cl)ccc(N)c1O)N(C)C	0
+O=S1(=O)c2ccccc2-c3c(c4nccnc4cc3)N1	1763
+ClCC(CCl)Oc1c(c(ccc1)CS(=O)(=O)c2cccc3c2cccc3)N	0
+c1ccccc1C(=O)CNC(CC2COCc3ccccc3CN2S(=O)(=O)c4cccc5cccnc45)=O	612
+O=S(=O)(Cc1c(c(OCCCl)cc(F)c1)[N+]([O-])=O)c2cccc3c2cccc3	1177
+O=S(=O)(c1cccc(-c2sc(cc2)-c3nn(C)cc3-c4ccccc4Cl)c1)C	800
+O=S(=O)(NCCC(O)=O)c1cc(OC)ccc1	3
+O=S(=O)(c1cccc(CO)c1)NCc2ccccn2	49
+O=S(=O)(c1cc(ccc1)C)N2c3cc(cnc3CCC2)C(O)=O	1
+O=S(=O)(c1cc(ccc1)F)c2ccc3CCC(Oc3c2)CN	18
+O=S(=O)(C)c1cc2OC(COc2cc1)COS(=O)(=O)c3ccc(cc3)C	36
+c1ccccc1-c2cc(S(=O)(=O)C)ccc2C=O	39
+O=S(=O)(c1ccc(cc1)-c2cnc(nc2)CC)Nc3c(F)c(F)c(c(c3F)F)C(O)=O	1
+c1ccccc1COc2nn(Cc3ccccc3)cc2CC#N	881
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(cc4CCCc4c3O2)Cl)C	419
+O=S(=O)(c1ccc(cc1)C)OCC(Cc2c(O)c3c(cc2Cl)CCC3)O	16
+c1cc(ccc1S(=O)(=O)n2ccc3c2nc(nc3Nc4cc5c(cc4)c[nH]n5)Nc6ccc(cc6)N(C(=O)C)C)C	55
+c1cc(ccc1SC)Nc2nc3n(ccc3c(n2)Nc4cc5c(cc4)c[nH]n5)S(=O)(=O)c6ccc(cc6)C	55
+c1cc(ccc1Nc2nc(Nc3cc4c(cnn4C)cc3)c5c(n(cc5)S(=O)(=O)c6ccc(cc6)C)n2)C(=O)N	55
+c1cc(ccc1CNC(=O)c2cnc3c(cn[nH]3)c2)S(=O)(=O)c4ccccc4	56
+c1cc(ccc1OCc2ccc3ccccc3c2)S(=O)(=O)NCC(C(=O)OC)N4CCCCC4	22
+O=S(=O)(NCc1ccccn1)c2cccc(c2)C=O	39
+O=S(=O)(n1ccc2c1cccc2N)c3c4ccccc4ccc3	0
+O=S(=O)(c1ccccc1C)NC(c2cc(OC)c(cc2)Cn3ccc4ccc(C=CC(NCCC)=O)cc34)=O	258
+O=S(=O)(c1ccccc1C)NC(c2cc(OC)c(cc2)Cn3ccc4ccc(CCC(NCCC)=O)cc34)=O	1320
+n1c(C)cc(nc1NC(NS(=O)(=O)c2ccccc2[Se]C)=O)C	1722
+O=S(=O)(Nc1cc(F)ccc1SCc2ccccc2C(=O)OC)c3cc4c(s3)cccc4	1063
+O=S1(=O)CCCN1c2ccc(cc2)-c3n(CC)c4cc(ccc4c3C#N)O	5
+O=S1(=O)N=C2C(c3ccc4c(ccc(c4)OC)c3)CCCN2CC1	2293
+c1cc(ccc1)C(=O)Oc2cc3c(cc(Br)cc3)cc2N4S(=O)(=O)NC(C4)=O	1039
+O=S1(=O)N(c2ccc(cc2)OC)c3ccccc3CN1CCCCl	4974
+O(c1cc2nc[nH]c2cc1)CCCCCCCCCCCCBr	3132
+C(c1c(cc(OC)c(c1)N)OC)(CCCCCl)=O	0
+c1cc(ccc1Cl)C=2N(C(N(N=2)CC(OC)=O)=O)CC=O	465
+C1CC1c2nc(C(=O)OCC)ccc2	2222
+C1CC1c2cccc(N3C(=O)C(=C(N=C3C)CCCC)Cc4ccc(cc4)-c5ccccc5C#N)c2	365
+[N+]([O-])(c1c(cccc1)-c2cc(OC)c(cc2)OC)=O	750
+c1cc(ccc1S(=O)(=O)OCC2COc3c(c(ccc3)-c4ccc(cc4C)OC)O2)C	11
+C(C)c1c(-c2c3N(C)C(=O)Nc3ccc2)cccc1	11
+c1ccccc1COC(N2CCN(CC2C)Cc3cccc(-c4c(ccc(C#N)c4)F)c3)=O	11
+c1cc(c(cc1)-c2c(C)n(nc2C#N)CCCC)N	800
+c1(-c2c(cccc2)SC)nc3cc(cc(c3c(c1C)Cl)F)F	691
+c1cc(ccc1CO)Nc2cc(-c3c(ccc(Cl)c3)OCC)nc(N)n2	198
+c1cc(ccc1-c2ccccc2OC)S(=O)(=O)N3c4ccccc4Cn5c(C3)ccc5C(=O)NCc6cnccc6	11
+O=C1c2c(cccc2)C(=O)N1C(c3ccc(cc3)-c4c(OC)nccc4)C	305
+c1cc(ccc1CC=2C(=O)N(C(C)=NC=2CCCC)c3cc(ccc3)Br)-c4ccccc4C#N	1778
+c1(cc(c(c(-c2c(N)nccn2)c1)Cl)Cl)Cl	696
+c1(OC)cc(cc(-c2cc(F)ccc2)c1)C(=O)OC	11
+O=Cc1c(F)ccc(c1)-c2cc(ccc2)F	11
+c1cc(ccc1CC=2C(=O)N(C(C)=NC=2CCCC)c3ccc4OCCc4c3)-c5ccccc5C#N	1778
+c12cc(ccc1CC(=O)CC2)-c3ccc4OCOc4c3	11
+c1cc(ccc1C(Nc2c(Cl)ccc(B(O)O)c2)=O)OCc3ccccn3	67
+C(CCCCC)Oc1c(F)c(-c2ncccc2)ccc1F	119
+n1cccc(C(=O)OC)c1-c2ccc(cc2F)F	140
+c1cc(ccc1F)C(C)(C)CNc2nnc(-c3ccc(c(c3)C#N)F)cc2	519
+c1cc(ccc1F)C(C)(C)CNc2ncc(cn2)-c3cc(C#N)c(F)cc3	537
+c1c(-c2cc(C)c(cc2)C)ncc(N)n1	356
+c1cc(ccc1-c2nc(C(=O)OC)ccc2)O	119
+c1cc(ccc1O)-c2cc3ccc(N)cc3cc2	11
+c1cc(ccc1-c2ccc3c(c2)c(CCCCC)c(n3C)-c4ccccc4)OC	11
+c1cc(ccc1OC)N2C(C(Cc3ccc(cc3)-c4ccccc4C#N)=C(CCC)N=C2CC)=O	1778
+c1cc(ccc1Oc2c(cc(N)c(C)c2)C)-c3ccc(cc3)OC	11
+c1cc(ccc1OC)-c2c3c(cccc3)c(Br)cc2	134
+c1cc(ccc1)Cc2c3cc(ccc3n(C)c2C)-c4ccc(cc4)OC	11
+c1cc(ccc1-c2cn(c3cc(ccc23)-c4cc(ccc4)[N+]([O-])=O)-c5ccncc5)OC	550
+CC(C)S(=O)(=O)c1ccc(cc1)-c2ncc(nc2)N	356
+Clc1c(-c2cnc(C)cc2)ncc(c1)C(=O)OC	3081
+c1(cc(cc(C)c1-c2cc(ccc2)C=O)O)C	11
+n1cc(-c2cc(ccc2)O)cc(NC(c3cc(OC)c(C)cc3)=O)c1	89
+c1cc(ccc1NC(=O)Nc2c(OCCC)c(cc(-c3c(cccc3)-c4nnn[nH]4)c2)C(c5ccccc5)C=C)C	11
+Fc1ccccc1Nc2c(c(cnc2)-c3c(F)cccc3)C(=O)OC	89
+n1c(NC(CC)C)cc(C(=O)OC)cc1-c2ccccc2F	140
+c1cc(ccc1C#N)-c2ccc(nc2)F	305
+c1(C)c([N+]([O-])=O)cnc(-c2cnccc2)c1	4787
+c1c(CCCCC)c(cc(-c2cccs2)c1)F	809
+O=S(=O)(c1ccc(cc1)-c2cccs2)Nc3c(OC)ccc(c3)Br	1373
+c1cc(ccc1)COC(CN(CC2CCCCC2)C(c3cc4c(cccc4)cc3N)=O)=O	3257
+n1c(nc(cc1NCC(O)C(OC)=O)C(=O)N)Cl	40
+[N-]=[N+]=Nc1cc(O)c(cc1)C(=O)NC(C(C)O)C(=O)NCC	1007
+c1ccccc1COCCCCCCCCCCCSC(=O)C	4157
+c1cc(ccc1F)-c2nc(SC)n(C)c2-c3cc(ncc3)NCC(O)C	182
+c1(cc(cc(I)c1O)C(=O)c2c(CCC(=O)OC(CC)C)oc3c2cccc3)I	27
+c1cc(ccc1Cl)CNC(=O)C=2C(=O)c3sc(CN(C)CC(c4occc4)O)cc3N(CC(=O)N(C)OC)C=2	822
+c1cc(ccc1Br)OCC(O)CO	72
+c1cc(ccc1-c2c(C3=NOC(=O)N3)cccc2)CC=4C(=O)N(C(=NC=4CCCC)C)c5ccc6OCCc6c5	618
+c1cc(ccc1OC)N2C(CC)=NC(CCC)=C(C2=O)Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4	618
+O=C1c2ccc(cc2OCc3c1cc(cc3)F)F	358
+OC12C(C)(C(CC#N)CC1)CCC3C2CCC4C3(CCC(O)C4)C	59
+c1cc(ccc1)COc2cc3C(N(Cc4ccc(OC)c(c4)OC)C(N(c3cc2)C5CCN(CC5)C=O)=O)=O	1003
+C(O)C(CO)(NCc1c2c(cc3cc4c(cccc4)cc13)cccc2)C	42
+C(CCCNc1c(c(nc2ccccc12)Cl)[N+](=O)[O-])O	105
+c1cc(ccc1[N+]([O-])=O)OCCO	57
+c1ccccc1COC(N2C(C(OC)=O)CC3(OCCO3)CC2)=O	381
+c1c(c(Cl)cc([N+]([O-])=O)c1)OCc2cnccn2	57
+c1(cc2c(nc1OCc3ncccc3)n(cc2)C)F	91
+c1c(cc(cc1)C=CC(=O)NO)NC(C=Cc2cc3OCOc3cc2)=O	793
+c12C(=O)c3c(ccc(Br)c3)-c1nc(cc2)C=NO	688
+c1c(F)c(c(cc1C=NO)F)SC	135
+c1c2c(cc(CC(=N)NO)c1)CCC2	409
+c1cc(ccc1)-c2c(F)cc(C(N)=NO)cc2	253
+c1cc(ccc1)C=CS(=O)(=O)Nc2cc(ccc2)C=CC(NO)=O	2291
+c1cc(ccc1)CCN2CCC(CC2)=NO	350
+c1cc(ccc1)Cc2c3c(cccc3)n(CC=NO)c2	410
+c1cc(ccc1C(=N)NO)C2(C3CCC(C3)C2)c4ccc(cc4)OCc5ncccc5	181
+c1cc(ccc1OCCOC)C(CC)=NO	189
+c1cc(ccc1OC)C(=NO)Cc2nccc(c2)Cl	189
+c1cc(ccc1C(CCC(O)=O)=NO)-c2c(cc(Cl)cc2)F	189
+FC(F)(C(=O)NO)c1ccc(cc1)NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C	1376
+c1cc(ccc1Oc2c(cc(Br)cc2)Cl)C=NO	135
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(NCCCCCCC(NO)=O)=O	909
+C1CN(CCC1=NO)c2ccc(cc2)OC	350
+c1cc(ccc1NS(=O)(=O)C)C(=NO)C	189
+c1cc(ccc1C(c2cc(CCC(=O)O)c(cc2OC)OC)=NO)OC	1205
+c1ccccc1-c2ccc(cc2)OCCCC(=O)NO	293
+c1cc(ccc1S(=O)(=O)N(CCc2ccc(cc2)OC)CCC(NO)=O)-c3[nH]nnn3	909
+c1cc(ccc1C(N)=NO)CC2C3C(=O)N(Cc4ccccc4)C(=O)C3C(C)(C)N2C	253
+c1cc(ccc1OCC=NO)Oc2ccccc2	410
+N(O)C(c1ccc(c2c1ccn2CC)Br)=N	181
+n1cc(ccc1OCC(OC)=O)C(C)=NO	1375
+c1c(-c2cnccc2)ncc3n[nH]cc13	4988
+c1(cccc(c1)O)NN	427
+c1cc(ccc1NN)-c2cnco2	427
+c1ccccc1COc2c(cc(cc2)F)NN	427
+c1ccccc1COc2c(cc(nc2)C(=O)N=[N+]=[N-])O	2279
+c1cc(ccc1)Oc2cccc(c2O)C	956
+c1c(cc(cc1)CCCBr)C(=O)N	216
+c1c2NC(CCc2cc(c1)Nc3nc(NC(CC)C(N)=O)cnc3C(=O)N)=O	1198
+c1cc(cc(Br)c1Oc2ncc(C=O)cc2)C(=O)N	216
+c1cc(ccc1C2C(C2)CCO)Br	347
+CC(C)NC(C)(C(CCCO)c1cc(Cl)ccc1)c2ccc(cc2)Cl	347
+c1cc(ccc1F)-c2nc(n(c2-c3cc(ncc3)NCC(O)C)C)S(=O)C	3136
+CC(n1ccc2cc(ccc12)OCCCOc3ncc(cc3)C(=S)N)C(=O)OC	4989
+S(C)c1cc(c(Cl)cc1N)OC	0
+c1ccccc1NS(=O)(=O)c2cc(c(cc2)Oc3cc(c(SC)cc3)C)C#N	46
+O=S(=O)(C)c1c(-c2c(C)c(Cl)c3c(cc(cc3F)F)n2)cccc1	593
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4nc(ncc4)S(=O)(=O)C)C	528
+S(c1c2c(nc(c1)C=O)c3c(c(OC)c2)cccn3)C	178
+C(c1cccc([N+]([O-])=O)c1)SC	1672
+S(c1cc(CO)nc2c1cc(c3c2nccc3)OC)C	1275
+c1(C)cc2nc(N)sc2cc1OC	821
+c1ccccc1-c2cc(cc(-c3ccccc3)c2O)SC#N	2871
+C1CC2CCN1CC2Oc3nnc(-c4cc5sc(N)nc5cc4)cc3	821
+n1cc(Sc2cc3sc(N)nc3cc2)n4c1nccc4	821
+c1cc(ccc1OC)Sc2c3c(ccc2)sc(C(OC)=O)c3	4931
+c1(c(NC(C)=O)ccc(C#N)c1F)C	180
+COc1cc(ccc1C#N)F	180
+c1cc(C)n(c1C)-c2cc(C)cc(CCc3cc(cc(Br)c3)C#N)n2	180
+c1cc(ccc1)-c2ccc(C#N)cc2F	180
+c1cc(ccc1)Oc2cccc3c2c(O)c(nc3C#N)C(OC)=O	942
+c1cc(ccc1-c2ccc(cc2)C=O)C#N	180
+c1ccccc1CN2C(=O)C3C(Cc4ccc(cc4)C#N)N(C(C)(C)C3C2=O)C	180
+c1cc(ccc1O)C(=C(CC)c2ccccc2)c3cc(C#N)c(OCCNC)cc3	180
+c1cc(ccc1N2C(CC)=NC(CCC)=C(C2=O)Cc3ccc(cc3)-c4ccccc4C#N)C(C)(C)O	3129
+c1cc(ccc1-n2nc(cc2-c3ccc(cc3)Cl)CCC(C)(C)O)OC	3893
+c1c(Br)c(ccc1)OC(C(=O)C)CCC	591
+c1cc(ccc1-n2c(cc(CCC(C)O)n2)-c3ccc(cc3)Cl)OC	684
+c1cc(ccc1C(C)(C)O)Br	1033
+c1cc(ccc1)C(O)(c2ccc3c(cco3)c2)C	4995
+n1c(c(C(C)O)cc2c(Cl)cccc12)-c3cc(ccc3)F	2129
+c12c3c(cccc3)ncc1nc(CCC)n2CCCC(CCCCCC)=O	2851
+C(n1c(-c2c(c(ccc2C)[N+]([O-])=O)C)nc(c1Cl)Cl)CCC	31
+c1(O)c(C=O)cc([N+]([O-])=O)cc1F	31
+c1(c(cc([N+]([O-])=O)c(OC)c1OC(C)=O)C=O)Cl	31
+c1([N+](=O)[O-])c(Cl)c(cc2nc(c(OC)nc12)OC)Cl	4732
+c1(-c2ncccc2)n[nH]cc1[N+]([O-])=O	1733
+[N+](c1cc(c2N(C(Cc2c1)=O)C)F)([O-])=O	31
+[N+](c1cc(c(c(F)c1)F)CC(=O)O)([O-])=O	77
+Clc1cc([N+]([O-])=O)c(O)cc1Cl	31
+COc1c(cc([N+]([O-])=O)c(C(=O)C)c1)CC	31
+c1(c(NC=O)c(cc(c1)Br)[N+]([O-])=O)F	77
+[N+](c1cc(c(F)cc1F)CC(O)=O)([O-])=O	77
+c1c(OC)c(O)c([N+]([O-])=O)cc1C(=O)C	31
+c12ccc([N+]([O-])=O)cc1C(CCC23C(NC(CC3)=O)=O)=O	31
+c1c(C(CCCCCl)=O)cc([N+]([O-])=O)c2OCCc12	77
+C1Cc2cc(c([N+]([O-])=O)cc2NC1)C	31
+c1cc(ccc1C2CC(=O)N(C2C(OCC)=O)C)[N+]([O-])=O	31
+c1(ccc(C(=O)C)cc1[N+]([O-])=O)CC	31
+Clc1c([N+]([O-])=O)cc(C(=O)c2ccccn2)cc1	77
+CC(C)C(=O)Nc1c(cc(cc1)C(=O)OCC)[N+](=O)[O-]	31
+C(CCCCCCCCCC)Cc1ccc(O)c(c1)[N+]([O-])=O	77
+c1cc(OC(C)=O)cc([N+]([O-])=O)c1OC	31
+c1cc(ccc1C(OCC)=O)Oc2c(F)cc(F)c([N+]([O-])=O)c2	31
+c1ccccc1COc2cc(C#N)c(cc2OC)[N+]([O-])=O	77
+c1ccccc1Oc2ccc(O)c([N+](=O)[O-])c2	31
+Brc1c(O)nc(C)c(c1)[N+](=O)[O-]	1026
+c1([N+]([O-])=O)ccc2c(c(C)cc(O)n2)c1	31
+c1(cc(c([N+]([O-])=O)cc1OC)O)C	5
+c1ccccc1C2(CC2)c3nc4c(nc(-c5c(F)cc(cc5)C=C[N+]([O-])=O)s4)cc3	417
+c1ccc(c(N)c1)OC2CCOC2	0
+c1cccc(c1N)-c2ccc(OC)c(OC)c2	0
+O=C(OCC)Cc1c(F)cc(c(c1)N)F	0
+[N+](c1cc2c(nc(o2)C)c(c1)Br)([O-])=O	1692
+Nc1cc2c(nc(o2)C)c(Br)c1	0
+C(N1c2cc(cc(F)c2C=CC1=O)F)CN3CC(O)C(CC3)N	18
+C1CC(c2cccc(C)c12)N	18
+c1ncc(-c2cc(Cl)c(C3=Cc4c(N(CC(CN)O)C3=O)nc(nc4)NCC)cc2)nc1C	18
+c12CCCc1c3c(CC(CN)O3)c(Cl)c2	18
+[nH]1cc(c2cc(ccc12)CCN)C#N	18
+C(C)OC(c1cc(c(N)c(C)c1F)F)=O	912
+[N-]=[N+]=NCCc1ccc2[nH]cc(c2c1)C#N	558
+N(Cc1ccccc1-c2nnsc2)=[N+]=[N-]	545
+[N-]=[N+]=NC(C)C(Nc1cccc(C(=O)C)c1)=O	4058
+c1(-c2nnnn2C)cc([N+]([O-])=O)ccc1	3142
+c1c(c(C(=O)OC)cc(-c2nnn[nH]2)c1)OC	1174
+c1cc(ccc1)CCCCCCCCOCC(CN=[N+]=[N-])O	1648
+c1cc(ccc1OCc2nnn[nH]2)-c3ccc4c(c3)c(CCCCC)c(n4C)-c5ccccc5	420
+c1cc(ccc1-c2sc(cn2)C(Nc3nccc(n3)N4C(COC4=O)C(C)N=[N+]=[N-])C)Cl	298
+c1cc(ccc1)-c2nc(CC)n(c2)-c3ccc(cc3)CCN=[N+]=[N-]	558
+c1cc(ccc1-c2ccccc2-c3[nH]nnn3)Cn4c(cc(C(=O)O)n4)CCCC	424
+c1ccccc1COC(=O)C(C(C)C)c2ccc(cc2)N=[N+]=[N-]	615
+c1cc(ccc1N=Nc2ccc(O)c(C(O)=O)c2)OCCCCCCCCN=[N+]=[N-]	310
+c1cc(ccc1S(=O)(=O)N(CCc2ccc(cc2)OC)CCC(=O)OC)-c3[nH]nnn3	424
+c1cc(ccc1OCCCCN=[N+]=[N-])C=Cc2nc3c(C(N(C(N3CC)=O)CC)=O)n2C	310
+[N-]=[N+]=NCC1Cc2c(O1)c3c(CCC3)cc2Cl	254
+c1ccc(OCc2nc3c(cccc3)cc2)cc1COc4cc(ccc4)-c5[nH]nnn5	424
+c1ccccc1C(N2C(C(CC2)CN=[N+]=[N-])C(OC)=O)C	1445
+c1ccccc1C(c2ccc(OCc3nnn[nH]3)c(Cl)c2Cl)=O	420
+c1ccccc1C(c2ccccc2)C3CC(N=[N+]=[N-])CCO3	298
+c1ccccc1CN2C(C)=CC(C3=C2N(C)C(N(CCCCC(C)N=[N+]=[N-])C3=O)=O)=O	298
+[N-]=[N+]=NCC(CN1c2nc(SC)ncc2C=C(C1=O)c3c(Cl)cc(-c4nc(cnc4)C)cc3)O	1648
+FC(F)(c1ncccn1)CN=[N+]=[N-]	1445
+Fc1c(Nc2c([N+]([O-])=O)cccc2)cccc1	275
+c1cc(ccc1Oc2ccccc2[N+](=O)[O-])-c3cn(c4ncnc(N)c34)C(C)C	46
+Fc1c(ccc(N)c1)Oc2c3cc(c(OC)cc3ncc2)OC	0
+c1cc(ccc1)C2Cc3c(ccc(Oc4c(cccc4)[N+]([O-])=O)c3)C2	415
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(-c5ccnc(c5)C)c6cc(c(cc46)[N+](=O)[O-])CC=O	1981
+c1cc(ccc1)COC(=O)C2Cc3c(CC2)[nH]c4c(Cl)cccc34	283
+c1cc(ccc1S(=O)(=O)n2ccc3c(nc(Cl)nc23)Cl)C	276
+c1cc(ccc1C2CCC(=O)NC2)C(=O)NCCc3ccc4c(c(C#N)c[nH]4)c3	14
+c1ccccc1S(=O)(=O)n2c3c(cccn3)cc2	276
+Fc1cccc(F)c1-n2ccc(n2)C	901
+n1n(ccc1[N+]([O-])=O)-c2ccc(c(C)c2)C	901
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3CCc4nncn4-c5c3cccc5	448
+c1(cccc(Cl)c1)-c2cc(cc(-c3cccc(Cl)c3)c2O)C(=O)NCC4(CC4)COCCCCc5ccccc5	241
+c1cc(ccc1O)CCNc2nc(-c3cccc(CN4CCNCC4C(O)=O)c3)ccn2	96
+c1c(Nc2c(C(O)=O)c(-c3ccccc3F)cnc2)c(F)cc(I)c1	1
+c1(c(-c2ncccc2)cc(c(c1N)F)Br)I	0
+Nc1c[nH]nc1-c2ncccc2	209
+c1(-c2nnnn2C)cc(ccc1)N	0
+c1cc(ccc1)OC(=O)Nc2cc(-c3n(nnn3)C)ccc2	90
+CC(C)c1c(OC)cc(c(Oc2c(Br)cc(cc2Br)CC(OC)=O)c1)C(c3cc(C)ccc3)=O	222
+c1cc(ccc1Oc2ncc(Br)s2)O	4960
+Nc1cc(OCCOC)c(cc1Cl)C(=O)O	1
+c1cc(ccc1C2(O)CN(CC2)CCCOc3cc(OC)c(cc3C(=O)OC)Cl)Cl	28
+c1ccccc1COc2ccc(cc2-c3c(-c4cccc(n4)C(=O)OCC)cccc3)Cl	119
+c1cc(ccc1)COc2c(C=3CCCCC=3c4nc(ccc4)C(=O)OCC)cc(Cl)cc2	3061
+c1(C)c(N)cc(CCO)c(Cl)c1	44
+c1(C)cc(-c2cnccc2)ncc1N	13
+c1cc(ccc1Br)Oc2cc(c([N+]([O-])=O)cc2C)C	415
+c1cc(ccc1-c2nc(nc(N3CCN(c4ncc(cc4C)Br)CC3C)c2)N5C(C)CCC5)F	54
+c1cc(c(C)cc1C2CO2)[N+]([O-])=O	3146
+c1(C)cccc(C)c1-c2cc(C)c(cn2)[N+](=O)[O-]	140
+c1c(C)c(c(cc1N)C)Oc2cc3c([nH]nc3cc2)CC(C)C	0
+c1nc2c(cc(c(C)c2)O)s1	5
+c1(C)cc2c(scn2)cc1OC	3101
+c1cc(ccc1C#N)-c2cc(C)cc(n2)-n3c(C)ccc3C	119
+c1cc(ccc1Nc2nc(Cl)nc3n(C=Cc4c(C)cccc4C)cnc23)P(C)(C)=O	914
+c1(C)cccc(Sc2ccc(cc2N)C)c1	0
+c1(C=CC(Nc2cc(C=CC(O)=O)ccc2)=O)ccc3c(OCO3)c1	127
+c1cc(cc(Oc2cccc(C#N)c2)c1OC)CO	41
+c1cc(ccc1Cl)C(c2cccc(c2)Br)O	257
+c1(CC)c(ccc(CO)c1)Br	41
+c1cc(ccc1)C(c2ccc3c(c2)cco3)O	704
+C(Oc1cccc(CO)c1)CCCl	41
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOC(C(C(=O)C)=Cc4cc([N+](=O)[O-])ccc4)=O	2395
+c1ccc(CNCCc2ccccn2)cc1CCOC3OCCCC3	42
+c1cc(C)n(c1C)-c2cc(C)cc(n2)CCc3cc(cc(C#N)c3)NCCc4ccccn4	250
+c1cnccc1SCCCNCc2cccs2	1130
+c1cc(ccc1OC(F)(F)C)NC(=O)c2cc(c(nc2)Cl)Br	246
+c1(N)cc(c(Cl)nc1)Br	13
+c1ccccc1CN2CCC(CC2)Oc3c(Cl)nccc3	1346
+c1(cc(F)c(C)nc1)C(=O)OC	1372
+c1c(Oc2nc(nc(Cl)c2)SC)c(Cl)cc(OC)c1	185
+C1CCCCC1(NS(=O)(=O)c2ccc(cc2)C)C(c3cc(Cl)cc(c3)Cl)O	71
+c1(cc(cc(F)c1C#Cc2ccc(c(NNC(OC)=O)c2)Cl)F)F	455
+c1cc(ccc1C(=O)Cc2cc(Cl)ccn2)OC	1501
+Clc1ccnc(CNc2nc3c(o2)c(cc(c3)C(=O)OC)OC)c1	1527
+c12nc[nH]c1nc(Cl)nc2NCc3cc(OC)c(cc3)OC	516
+c1c(C=Cc2cc(ccc2)Nc3c(cccn3)[N+]([O-])=O)cccn1	201
+c1c(cccc1C=C)Nc2c([N+]([O-])=O)cccn2	201
+C(O)c1ccc(F)c(F)c1C	49
+c1(OC)cc(C(=O)Nc2c(c(ccc2F)O)F)cc(-c3cc(F)ccc3)c1	67
+c1(cc(C)c(OC)c(c1)C(=O)Nc2c(c(ccc2F)O)F)-c3cc(F)ccc3	67
+c1(c(cccc1)-n2c3cccc(N)c3cn2)F	2993
+c1cc(ccc1C)-c2ccccc2F	2111
+c1c(c(F)cc(I)c1)Nc2c([N+](=O)[O-])c(F)cc(c2)F	275
+c1cc(ccc1OCc2c(F)cccc2)-c3cccc(C(OC)=O)n3	22
+c1cc(ccc1)Sc2c(cc(cc2)F)C(O)=O	826
+c1cccc(CSc2ccc(F)cc2N)c1C(OC)=O	1128
+c1(ncc(c(n1)CCc2ccccc2C(C(=O)N)C)Cl)Nc3cnncc3	949
+O=S(=O)(c1ccc(cc1)Nc2nc(c(F)cn2)-c3cnc(n3C)C)C	490
+c1(N2CC(CNC(C)=S)OC2=O)ccc(-c3scc(n3)Cn4ccnc4)c(F)c1	199
+c1(OC)c(OC)nc(cc1)CN	421
+c1c(c(cnc1-c2cc(cnc2)C)-c3nccs3)C(=O)NCc4ccc(OC)c(OC)n4	14
+C(Nc1c(c(ccc1C)O)C)c2cc(OC)cc(-c3cc(F)ccc3)c2	162
+C(Nc1c(c(ccc1F)O)F)c2cc(OC)cc(-c3cc(F)ccc3)c2	162
+c1(OC)cc(F)cc(CO)c1	49
+c1(OC)cc(C(=O)O)cc(-c2cc(F)ccc2)c1	1
+c1ccccc1Cc2c(cc(cc2OC)Br)OC	394
+O(c1nc2c(nc1OC)cc(Cl)c(Cl)c2N)C	13
+O=S(=O)(C)c1cc(cc([N+](=O)[O-])c1)N	0
+c1([N+]([O-])=O)ccc(Cl)c(-c2ncccc2)c1	4728
+c1c(Oc2cccc3sncc23)c(Cl)cc([N+]([O-])=O)c1	46
+c1cc(ccc1)-c2c(Cl)cc(cc2)[N+]([O-])=O	134
+c1cc(c(cc1)Sc2cc([N+]([O-])=O)ccc2C(=O)O)N	825
+C1CC1(Oc2cc([N+](=O)[O-])c(cc2Cl)F)C(=O)OCC	5017
+Nc1ccc(Cl)c(-c2ncccc2)c1	0
+Nc1cc(F)c(N2CC(N(CC2)CC)=O)cc1	0
+c1cc(ccc1F)-n2ncc3cc(ccc23)Oc4ncc([N+](=O)[O-])cc4	1708
+c1cc(ccc1Sc2ccc([N+](=O)[O-])cn2)CCC(=O)O	5018
+Nc1cc2c(cc1)nc(cc2C)Cl	0
+c1cc(ccc1)Sc2c(cc(cc2)Nc3c(C#N)cnc4c3cc(cc4)[N+](=O)[O-])Cl	179
+c1c(c(Br)c(C)cc1N)CC(OC)=O	0
+c1cc(ccc1Cl)C(=O)c2cccc(C#N)c2C	222
+c1(cn[nH]c1-c2nc3c([nH]2)cccc3)C(OCC)=O	567
+c1(c(C=O)[nH]c(C(=O)O)c1)C	6
+c1(c(F)c(c(c(OC)c1)F)N2C(C3(CC3)c4cc(-c5c(N)cnn5CCOC)ncc4C2)=O)OC	209
+c1(c2ccc(c(F)c2ccc1)O)C(=O)O	1
+c1cc(ccc1Oc2ccnc(-c3cc(C(OC)=O)sc3)c2)NC(Nc4cc(ccc4F)C)=O	124
+c1(cc(C)c(OC)c(c1)C(=O)Nc2c(c(ccc2F)O)C)-c3cc(F)ccc3	67
+Nc1c(C)c(c(cc1)C#N)F	106
+C1CN(CCN1c2c3c(ncn2)cc(OC)c(c3)OC)c4ncc(cn4)O	54
+Nc1cc(cnc1OC)C(=O)OC	13
+O(c1ncc(C(=O)O)cc1[N+](=O)[O-])C	1
+c1(N)cc(C)c(Cl)cc1NCCCC	0
+Cc1nn(-c2c(cccc2F)C#N)cc1C=O	926
+c1(c(cc(I)c(C)c1)C(=O)O)CC	1
+c1(c(cc(C)cc1)Nc2cc(O)ncc2C(=O)O)Cl	1
+O(C)c1c(O)c(c(cc1[N+](=O)[O-])C=O)Cl	173
+c1c(ccc(C(OC)=O)n1)C(=O)NCc2ccc(c(Cl)c2)Cl	1281
+c1cc(cc(CCCCCC)c1OC)C(=O)O	374
+c1ccccc1COc2cccc(F)c2F	22
+c1(I)c(nn(C)c1CO)C	453
+C1CN(CCN1CC(=O)Nc2sc(c(-c3occc3)n2)C(c4ncccc4)=O)c5ncccn5	224
+Nc1cccc2c1OC(C)C2	0
+c1(n(c2c(ccc(OC)c2)c1C(=O)NCc3cc(F)c(cc3)F)Cc4ncccc4)C=O	2714
+c1(cc2c(Oc3ccc4c(cccc4c3F)C(O)=O)ccnc2cc1OC)OC	242
+c1(c[nH]c2c1cc(N)cc2)Cc3c(cc(cc3)C(=O)OC)OC	0
+c1ccccc1Cn2cc(Cc3ccc(C(=O)OC)cc3OC)c4cc(NC(CCCCC)=O)ccc24	190
+c1c(N)c(NC)cc(c1Br)C#N	0
+c1cc(ccc1COc2c(Br)cc(C=O)cc2)OC	22
+c1(cc(COC)c(cc1Br)O)F	49
+c1(cc(C(=O)OC)c(cc1Br)O)F	5
+c1(cc(C)c(OC)c(c1)CNc2c(c(ccc2F)O)C)-c3cc(F)ccc3	162
+c1(cc(C)c(OC)c(c1)CNc2c(c(ccc2F)O)F)-c3cc(F)ccc3	162
+C(Cc1cc(C)cc(c1)CBr)O	21
+c1(cc(CO)c(cc1Br)O)F	88
+c1(C(=O)O)cc(F)c(C)nc1	1
+c1(c2ccc(OC)cc2n(Cc3ncccc3)c1C(OC)=O)C(=O)NCc4cc(F)c(cc4)F	56
+c1c2c(ccc(c2Oc3c(cc(F)cc3)F)OC)nc(O)c1	2900
+c1cc(ccc1F)CC#Cc2cccc(-c3nnn(n3)CCCN4CC(C(O)=O)CCC4)c2	121
+c1(cc(I)ccc1)-c2nnn(n2)CCCN3CCCC(C(=O)O)C3	3
+c1(C)cc2c(NC(O2)=O)cc1OC	3096
+c1(cc(c(N)cc1OC)O)C	0
+c1(C=O)cc(Oc2cccc(C#N)c2)c(cc1)OC	754
+c1(cc(cc(C)c1-c2cc(COc3ccc(cc3)CCC(=O)OC)ccc2)OC4CCCCO4)C	20
+c1c(C)c(c(cc1O)C)-c2cc(COc3ccc(cc3)CCC(=O)OC)ccc2	805
+c1(cc(cc(C)c1-c2cc(COc3ccc(cc3)CCC(=O)O)ccc2)OCCOCC)C	4
+c1c(C)c(c(cc1OCCOCC)C)-c2cc(CO)ccc2	41
+Clc1cc(cc(Cl)c1CCCNOC)Cl	2498
+c1(cc(cc(Cl)c1OCCCC(c2ccc(cc2)F)=C)OCC=C(Cl)Cl)Cl	1707
+c1c(F)c(c(cc1F)F)CCc2cc(c(Cl)cc2)NNC(OC)=O	1702
+c1(cc(cc(I)c1O)C(c2c3c(oc2CCC(=O)O)cccc3)=O)I	3
+c1cc(ccc1C=O)-c2cccc(C(OCC)=O)c2	11
+c1ccccc1-c2cncc(c2)C(=O)O	89
+c1cc(cc2c1N(C(=O)N(C2=O)CC)CC)C(O)=O	1
+O=C(NC1c2c(cccn2)C(N=[N+]=[N-])C(c3c(c(ccc3)F)F)CC1)c4cnc5c(c4)CC6(c7cccnc7NC6=O)C5	56
+c1(cc2ccc(cc2cc1)OC)C(C)CN	15
+c1(cc2c(c(c1)CO)cccc2)Br	88
+Nc1cc(ccc1CC)C(=O)C	0
+c1(ccc(C)n1-c2ccc(C(CNCC3Oc4c(CC3)cc(I)cc4)O)cn2)C	15
+c1ccccc1Oc2ccc3c(nc(o3)-c4ccc(C=O)cc4F)c2	1328
+c1c(ccc2ccccc12)C(O)c3c(ccc(Br)c3OC)F	1641
+c1(ccc(C)cc1N)Sc2cc(ccc2)NC(C)=O	0
+c1(ccc(C)cc1N)Sc2cc(ccc2)O	0
+c1ccccc1COc2cc(ccc2)-c3cccc(CCC(O)=O)c3	11
+c1cc(cc2ccnn12)OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3	28
+c1ccccc1CNc2cc(ccc2)N3C(NCC3)=O	208
+c1cc(ccc1)-c2cc(nnc2Cl)Nc3ccnc(NCCc4c(Cl)cccc4)n3	306
+n1c(-c2cnccc2)n(c3cc(c(Br)cc13)C#N)C	3766
+C(CNCc1ccc(nc1)Oc2ccc(cc2Br)C(=O)N)c3cccs3	249
+c1cc(OCCc2cccs2)cc(C)c1OCC(OCC)=O	126
+c1(nc(cc(c1)COC)Br)C	49
+c1(nc(cc(CO)c1)Br)C	88
+c1cc(ccc1CO)Nc2nc(N)nc(c2)Cl	73
+c1ccccc1CNc2cc(nc(n2)N)Cl	40
+c1cc2c(cccc2)nc1COc3cc(CO)ccc3	412
+c1cc(ccc1OCc2ccc3ccccc3n2)CO	412
+c1(nc2cc(c(Cl)c(NC(=S)COC)c2nc1OC)Cl)OC	199
+n1c(ncc(c1CCc2ccccc2C(C(=O)N)C)Cl)Cl	801
+c1cc(ccc1-c2nc3ccccn3c2)F	440
+c1cc(ccc1OC(Nc2ccccn2)=O)[N+]([O-])=O	278
+c1cc(ccc1)COc2cc(Nc3ncccc3)ncc2	834
+c1cnccc1-c2ccc(cc2)C(C(Nc3ncccc3)=O)CC4CCCC4	142
+Clc1cc(cc2cc[nH]c12)F	1561
+c12C(=O)c3c(ccc(Br)c3)-c1nc(cc2)C=O	178
+N#Cc1ccc2C(=O)c3c(ccc(Br)c3)-c2n1	4676
+n1cccnc1N2CCN(CC2)C3CCc4cccc(OC)c4C3	85
+c1ccccc1COC(NCC2Cc3c(c4c(CCC4)cc3Cl)O2)=O	101
+c1cc(ccc1C(=O)N2c3c(cccc3)Cc4c(C2)cccc4)[N+]([O-])=O	448
+c12c(C(=O)N(C1=O)CCc3n(CCC)nc(c3)C#N)cccc2	331
+c12c(C(=O)N(C1=O)CCc3cc(nn3CCC)C(=O)O)cccc2	6
+c1cc(ccc1CNC(c2ncnc3scc(C)c23)=O)Cl	81
+O(c1ccc(O)c2c1CCC2)C	5
+c1cc(ccc1OCc2ccccc2)-c3c4ccccc4nc5CCCCc35	699
+c1c(Cl)c2c(c3c(c(OC)c2)cccn3)nc1CO	398
+C(c1c(Sc2c3c([nH]c2)cccc3)cccc1)C(O)=O	4
+c1ccccc1COC(=O)NCCCNc2c3c(nc(c2[N+]([O-])=O)Cl)cccc3	105
+O=C1c2ccccc2C(=O)N1CCCN(c3c(F)cc(C4=CC(=O)c5c(c(F)cc(c5N)F)O4)cc3)C(C)=O	988
+c12c(cc(c(c1)OC)COC)cc(cc2)Br	49
+c12c(cc(c(c1)OC)C=O)cc(cc2)Br	39
+c12ccccc1cc(N)cc2C(OC)=O	0
+c12c(cc(C=C)c(c1)OC)cc(cc2)Br	443
+c12c(cc(CO)c(c1)OC)cc(cc2)Br	88
+c1ccccc1COc2c(cc(cc2)-n3c4c(cc3)c(cc(F)c4)Br)F	1194
+c1(cc2c(c(c1)CO)cccc2)Br	98
+c1(cc2ccccc2c(COC)c1)Br	49
+Nc1c2cccnc2c(cc1)C#N	0
+c1c2c(ccc1OCCCl)C(CC2)C(OC)=O	267
+C1(=O)c2ccccc2C(=O)N1CCCCC(C#N)(N3C(c4ccccc4C3=O)=O)CF	1656
+O=C1c2ccccc2C(=O)N1C=Cc3cc4c(cc3)ncc5nc(n(CCCN6C(CCC6)=O)c45)CCOC	5027
+C1(c2ccccc2C(=O)N1CCCOc3ccc(F)cc3[N+](=O)[O-])=O	8
+C1(c2ccccc2C(=O)N1CCCOc3cccc(C4N(CCC4)c5ccn6ncc(C(OCC)=O)c6n5)n3)=O	1923
+c1cc(ccc1Cl)CCNCCCN2C(=O)c3ccccc3C2=O	132
+C(CN)CCCCCCOc1cc(F)ccc1	45
+c1cc(ccc1CCN(CC)CCCN)Cl	45
+c12c(c(F)cc(F)c1OC(c3cc(F)c(NCCCN)cc3)=CC2=O)N	45
+c1cc(ccc1CCCN)CCCCC	45
+O=C1c2ccccc2C(=O)N1CCSCc3oc(CO)cc3	3155
+CC(C)COc1nc(ccc1-c2c(F)ccc(OC)c2)CN	45
+c12c(cccc1)CC(C2)Nc3nc(nc(n3)NCc4ccc(cc4)C(=O)Nc5ccccc5N)N	67
+c1c(c(cc(c1)Nc2ncnc3cccc(F)c23)Cl)OCc4cnccn4	73
+c1c(c(F)c(c(c1)C=Nc2c3c(cc(c2)F)nc(O)cc3)Cl)OC	457
+c1cc(ccc1)CC(=O)c2c(n(c3cc(C(OC)=O)ccc23)Cc4ccccc4Cl)CCC	432
+c12cc[nH]c1ccc(c2)Nc3ncnc(Cl)c3[N+]([O-])=O	73
+O=S(=O)(c1ccc(cc1)C)n2ccc3c(Nc4ccc5cn[nH]c5c4)nc(nc23)Cl	1665
+N(c1c(cccc1)NC(=O)c2sc3c(cccc3)c2Cl)C(=O)c4cc(C#N)ccc4	864
+s1c2c(nccc2Cl)cc1-c3ccc(CN4CCCC4=O)cn3	4838
+c1ccccc1-c2c(Cl)nc3c(nccc3)n2	696
+c1c(-c2ccc3OCOc3c2)ccc4C5C(=O)N(c6ncccc6)N=C5CCc14	2472
+c1(cc(cc(Br)c1Oc2cc(C(C)C)c(cc2)O)CO)Br	49
+c1c(Br)c(c(cc1CP(O)(O)=O)Br)Oc2cc(C(C)C)c(cc2)O	228
+c1c(Br)c(ccc1)OC(C(=O)O)CCC	3
+c1cc(ccc1C#Cc2cccc(N)n2)C(OCC)=O	943
+c1ccc(OCc2nc3c(cccc3)cc2)cc1COc4cc(ccc4)C#N	139
+c1c(C(=O)C)c(O)c(c(c1Cl)OCCOCCOc2c(C(C)=O)ccc(OCC(=O)O)c2CCC)CCC	3
+c1c(NC(c2cc(ccc2)C#N)=O)c(ccc1)[N+]([O-])=O	50
+n1cc(cc(NC(c2cc(OC)c(C)cc2)=O)c1)Br	487
+CC(=O)c1c2c(n(c1CCC)Cc3ccccc3Cl)cc(C(=O)O)cc2	1
+c1c(c(ccc1)OC)-c2ccc(cc2C)C(=O)O	1
+c1c(C(CCCCCl)=O)cc(N)c2OCCc12	0
+c1cc(ccc1)COC(=O)CN(CC2CCCCC2)C(=O)c3cc4c(cc3NC(=O)Nc5c(cccc5C)C)cccc4	124
+c1(cc(cc(C)c1-c2cc(COc3ccc(cc3)C=CC(=O)OC)ccc2)OCCOCC)C	20
+C1C(CC1)(C(=O)N2CCC(Nc3cc(c4cc(OC)ccc4n3)C)C2)c5ccc(cc5)Cl	10
+Clc1cc([N+]([O-])=O)cc(C)c1	480
+c1c(C)ccc(-c2c(Cl)ccc(N)c2)n1	0
+Nc1cccnc1Nc2cc(ccc2)C=Cc3cnccc3	13
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+c1cc(ccc1NC(CCc2cc3c(OCO3)cc2)=O)C(=O)OC	33
+c1c(c(c(N)cc1)C)CNCC	0
+c1cc(ccc1)CN(CC(=O)c2ccc(c(CO)c2)O)CCCCCCOCCCCCCc3ccccn3	676
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+c1c(Cl)c(c(cc1)Cl)-c2c(c(C(C)C)on2)COc3ccc(cc3)Sc4cccc5sc(cc45)C(=O)O	1
+c1(Cl)cc(cc(Cl)c1CCC=O)Cl	378
+c1cc(ccc1C2(OCCO2)CCCOc3c(cc(cc3Cl)OCC=C(Cl)Cl)Cl)F	72
+c1(Cl)cc(cc(Cl)c1)C(O)C2(CCCCC2)N	157
+c1cc(ccc1NC(=O)c2c(F)cc(F)cc2)C(=O)N3Cc4c(Cc5ccccc35)cccc4	50
+Fc1cccc(F)c1-c2c(cc(cc2)F)C#N	11
+c1(cc(cc(F)c1O)C(C)=O)F	5
+Fc1cc(cc(F)c1SC)C#N	1308
+c1c(F)c(ccc1F)C(C(C)c2cc(C#N)ncc2)(Cn3ncnc3)O	1303
+c1cc(ccc1Br)Sc2c(Cl)cccc2	826
+c1ccccc1OCc2cc3c(ccc(c3)I)o2	4701
+c1cc(N)c(NC(c2cc(ccc2)C#N)=O)cc1	0
+c1(O)c([N+]([O-])=O)cc(cc1O)C(=O)C	5
+c1ccccc1COc2cc(C#N)ccc2OC	22
+c1c(OC)c(ccc1C(=O)O)Cn2c3cc(C=CC(NCCC)=O)ccc3cc2	1
+c1cc(ccc1OC)C(c2cc(c(OC)cc2OC)CCC(OC)=O)=O	222
+c1cc(ccc1)C(OCCn2ccc3ncnc(c23)Nc4ccc(c(Cl)c4)Oc5cccc6sncc56)=O	1190
+c1c(Oc2cccc3sncc23)c(cc(c1)Nc4ncnc5ccn(C)c45)Cl	1190
+c1c(Oc2cccc3sncc23)c(Cl)cc(N)c1	0
+c1c(OC)ccc(c1Cl)Oc2nc(SC)nc(NCc3nc4c([nH]3)cccc4)c2	40
+C(=O)(OCCCCCCCCOC(C(=C)C)=O)c1cc(cc([N+]([O-])=O)c1)N	0
+c1ccccc1Sc2c(cc(cc2)C)[N+]([O-])=O	825
+c1(N2C=CC(=CC2=O)C)cc(N)cc(c1)C(=O)OC	0
+c1cc(ccc1)OC(c2c(OC)ccc(c2C)F)=O	852
+c1c(OC)c(cc(-c2nnn[nH]2)c1)C(=O)O	1
+c1c(c(Cl)c(F)cc1)NC	695
+c1c(c(Cl)cc(N)c1)OCc2cnccn2	0
+c1c(c(Cl)ncc1Oc2cccc(N)c2)F	106
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+c1cc(ccc1NC(=O)Nc2ccc(Oc3c4c(cc(OCC5OC5)c(C#N)c4)ncc3)cc2F)F	124
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+c1c(c(c(c(F)c1)N)C#N)OC	1497
+c1c(-c2cc(ccc2)F)cc(c(F)c1C)CNc3c(ccc(c3C)O)C	162
+n12c(C)nnc1c(NCc3c(C)cccc3CC)cc(c2)C(=O)OC	2951
+c1([N+]([O-])=O)cccc(CC)c1N	106
+c1cc(ccc1C(=NNc2cc(nc(CC)n2)-c3ccccc3OC)C)N(C)C	1713
+c1cc(ccc1C(C)=NNc2cc(nc(CC)n2)-c3ccccc3OC)C	1713
+c1cc(ccc1Cl)OCCNC(CCc2ccccc2OC)=O	9
+c1cc(CO)c2c(c(C)ccc2)c1OCOC	41
+c1c(cc(cc1)CCCO)C#N	21
+c1cc(ccc1C=O)Oc2c(cc(Br)cc2)Cl	46
+c1ccccc1COc2c(cc(F)cc2)[N+](=O)[O-]	22
+Clc1ccc(cc1-c2nc3c([nH]2)cccc3)Br	1127
+C(C(c1cc(c(cc1)O)OC)=O)CC(=O)O	5
+c1c(cc(c(c1)Cc2c(nn(-c3c(Cl)ccc(N)c3)c2C#N)CCCC)F)Br	0
+c1c(cc(c(c1)Cc2c(nn(-c3c(Cl)ccc([N+]([O-])=O)c3)c2C#N)CCCC)F)Br	331
+c1ccc2C(=O)N(C(=O)c2c1)CCCc3cc(C(N)=O)ccc3	966
+c1cc(ccc1C(=O)Nc2ccc(c(NC(=O)c3cccc(CCl)c3)c2)C)C#N	50
+c1c2c(ccc1Br)CCCC2	165
+c1cc(ccc1C(C)(C)C#N)Nc2c3c(ccc(Br)c3)ncc2[N+](=O)[O-]	179
+c1ccccc1CN2c3cc(Br)ccc3CCC2	507
+C1C(CN(C1)c2nnc(cc2)C#N)c3ccc4c(cc(C(Nc5cc(F)cnc5)=O)[nH]4)c3	212
+c1ccccc1COc2ccc(c(C#N)c2)Br	22
+c1c(ccc(C(=O)O)n1)C(=O)NCc2ccc(c(Cl)c2)Cl	1
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCCCCCN(CCCC)C(=O)Nc4c(cc(cc4)F)F	326
+c1c(ccc(Sc2c(N)ccc(C(NCC)=O)c2)c1F)F	0
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+c1c(ccc(-c2nc(ccc2C(=O)OCC)Cl)c1F)F	174
+COc1c(C(c2ccc3ccccc3c2)=O)c(F)ccc1Br	335
+c1(-c2cn3nc(ccc3n2)Cl)cc(ccc1)C#N	1749
+c1c(cccc1OCC2Cc3c(CC2)cc(C4CC(N)(CC4)CO)cc3)OC	886
+n1c(Cl)nccc1NC(C)c2ncc(cc2)F	40
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+c1c(Cl)n(CC(O)=O)nc1Cl	3
+c1cc(ccc1OC)CNc2ncc3c(c(ncn3)Nc4ccc(c(Cl)c4)Br)c2	182
+c1(CCC)cc2CCc3ccccc3-c2cc1	165
+c1ccc2C(=O)N(C(=O)c2c1)C3C(CCC3)OCc4ccccc4	149
+Fc1cc2c(NCC2)cc1F	15
+C1(CCN(C1)C)C2Cc3ccccc3C=C2	15
+c1c2CC(C3C(N(C)CC3)=O)C=Cc2ccc1	1781
+c1ccccc1NC(=O)c2c(Cl)cccc2N	1768
+c1nc(ccc1C(Nc2ccccc2N)=O)NCCNC(=O)c3c(c([nH]c3C)C=C4c5c(cccc5NC4=O)C)C	56
+c1cc(ccc1OCc2ccc3c(n2)cccc3)Cn4c5c(c(CC(OC)=O)c4)cccc5	962
+c1c2c(CCCO)c[nH]c2ccc1	88
+c1c2c(CCCOC)c[nH]c2ccc1	21
+c1c2c(ccc(C)c2)[nH]c1C#N	331
+c-12c(NCCc3nncn-13)cccc2	15
+c1c2CC3CCC(N)(CC3Cc2ccc1)CN	51
+c1cc2c(cc1CCBr)CCN2C(=O)C	165
+c1nc(ccc1C#N)OCCCOc2ccc3n(ccc3c2)C(C)C(=O)OC	20
+C(Sc1cnc2ccc(cc2c1)OC)C=O	24
+c1cc(ccc1CNc2ncc3c(c2)c(ncn3)Nc4cc(Br)c(Br)cc4)OC	182
+C(c1c(ccc2ncccc12)O)C=C	4053
+c1cc(ccc1)CN2CCC(C2)Oc3c(Br)ccc(F)c3	20
+c1cc(Br)c(CO)cc1I	49
+c1cc(Br)nc(c1OCCCBr)N	161
+c1ccccc1COc2ccc(-c3ncc(cc3)Br)cc2F	119
+C(CNC(c1ccc2ccccc2c1)=O)CCN3CCN(c4c5c(cc(F)cc5)sc4)CCC3	93
+c1cc(cc(c1)-c2nnc(o2)-c3cc(OC)ccc3)I	1782
+c1cc(c(cc1I)OC)C(=O)O	1
+Cc1cc(nc(c1)CCc2cc(C#N)cc(c2)NCCc3ncccc3)N	899
+c1cc(ccc1F)COc2ccc(c(c2)F)-n3c(ccc3C)C	669
+c1cc(ccc1-c2c(ccc(CC)c2)OC)OC	2256
+c1c(cc(Oc2ccc(CCC(OCC)=O)c(C)c2)c(C)c1)O	5
+c1cc(CO)cc(c1)CC(O)=O	3
+c1(C=O)ccc(OC)c(CCCCCC)c1	39
+c1cc(N2C(CCC2)c3nc(O)ccc3)nc4c(cnn14)C(=O)OCC	104
+c1cc2N3C(CCC3)c4nc(OCCCNC(c5cnn1c5n2)=O)ccc4	1339
+c1cc(N2C(CCC2)c3nc(ccc3)OCCCN)nc4c(cnn14)C(=O)O	6
+c1c(c(C)cc(c1)O)OCC(OCC)=O	173
+c1c(c([N+]([O-])=O)cc(c1)O)OC	173
+c12c(CCC1)c(ccc2OC)OC	165
+n1cc(N)c(cc1)CCOc2ccc(c3ccccc23)N	0
+c1cc(ccc1)C(CC(OCC)=O)Nc2nc(Cl)ccc2[N+](=O)[O-]	70
+c1ccccc1CC(NC(=O)c2cccnc2-n3cc4ccccc4n3)C(O)C(=O)OCC	56
+c1cc(c(-n2cc3c(cccc3)n2)nc1)C(=O)O	6
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+c1ccccc1OCc2cc(ccc2Br)I	139
+C1N(C(=O)c2c(cc(I)cc2)OC)c3c(Cn4c1ccc4)cccc3	610
+c1c(OC)c(Br)cc(c1)O	173
+c1cc(CO)cc(CCCCCC)c1OC	98
+c1cc(cc(c1)-c2ccc(F)c(c2)CNc3c(C#N)c(O)ccc3F)F	5
+c1cc(ccc1CC2(CCN(CC2)CC(Cc3cc(c(OC)cc3)F)O)O)C	170
+c1ccccc1-c2c(ccc(S(=O)(=O)C)c2)C(OC)=O	992
+c1cc(ccc1)-c2c(cc(cc2)N)Cl	0
+c1cc(ccc1)-c2ccc(cc2F)-c3noc(-c4ccc(cc4)CO)n3	910
+c1cc(ccc1)-c2ccnc(c2N)N	13
+c1cc(ccc1)-c2ccc(cc2Cl)N=C=S	1034
+c1ccccc1-c2cc(NC(=O)c3ccc(cc3)OCc4ncccc4)c(C)cc2	50
+c1cc(ccc1)-c2ccc(c(Oc3ccc(cc3)C#N)c2)[N+]([O-])=O	46
+c1cc(ccc1OC)Oc2c([N+](=O)[O-])ccc(-c3ccccc3)c2	46
+c1cc(ccc1)-c2ccc(c(c2)Oc3ccc(cc3)C#N)N	0
+c1cc(ccc1-n2cc(nc2CC)-c3ccccc3)CCN	18
+c1ccccc1-c2cc(C(=O)OC)cc(n2)O	700
+c1cc(ccc1)-c2nc(nc(n2)N3CCC(CC3)C(NCc4ccc(cc4)Cl)=O)NC	9
+c1cc(ccc1)-c2nc(OCc3ccccc3)cc(C(OC)=O)c2	140
+c1ccccc1-c2cnc(N)cc2	89
+c1ccccc1-c2c3c(n[nH]2)cnc(-c4cccnc4)c3	1196
+c1cc(ccc1)C(=O)NC(=S)Nc2ncc(cc2Oc3ccc(cc3)C#N)Br	1780
+c1cc(ccc1C#N)Oc2c(ncc(Br)c2)NC(=S)N	401
+CC(C)(CCCc1ccc2cc(c(cc2c1)N3S(=O)(=O)NC(=O)C3)O)CO	818
+c1ccccc1C(c2cc3nccnc3cc2)O	488
+c1ccccc1C(CCC(N)CO)C	191
+c1cc(ccc1)C(CC(OCC)=O)Nc2c(ccc(C#N)n2)N	13
+c1cc(ccc1)C(C)(CC=C)CO	237
+c1ccccc1NCC(N(C)C(CN2CC(OCCOCCOCCOCCOCCOC)CC2)c3ccccc3)=O	10
+c1cc(ccc1S(=O)(=O)OCCC2CCN(CC2)C(c3ccccc3)=O)C	1312
+c1c(Oc2cccc3sncc23)c(cc(c1)Nc4ncnc5c4n(CCO)cc5)Cl	682
+c1ccccc1C(c2ccc3occc3c2)=O	335
+C(CCCCCCCCC)CCCCCCOCC(CF)CO	1454
+C(Sc1ccccc1OC)C(OC)CO	1454
+c1cc(ccc1)C(c2ccccc2)=Nc3ccc(cc3)-c4nnc(OC5CN6CCC5CC6)cc4	2017
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C4(NC(=S)COC4)C5CC5)c(F)cc3	199
+C1CC1C2(COCC(=S)N2)c3cc(N)ccc3F	828
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C45NC(=S)COCC4C5)c(F)cc3	199
+C1C2CC2(c3c(F)ccc(N)c3)NC(CO1)=S	828
+c1cc(ccc1N)-c2ccc(OC3CN4CCC3CC4)nn2	828
+c1cc(ccc1)C(n2c3cc(NC(c4ccc(cc4)[N+](=O)[O-])=O)ccc3nc2)CC(OCC)=O	50
+c1cc(ccc1C(=O)Nc2cc3n(C(CC(OCC)=O)c4ccccc4)cnc3cc2)N	0
+c1cc(ccc1)COCC2C(CN)(c3ccccc3)C2	51
+c1c2C3(C(=O)NC(CC3)=O)CCC(=O)c2ccc1	3090
+C1CN(CCC1(c2ccccc2)C(=O)N3CCN(CC3)Cc4ccccc4)C	10
+c1cc(ccc1)C2CC(c3c2cccc3)CC(=O)OCC	3040
+c1cc(ccc1)C2Cc3c(ccc(OC)c3)C2	165
+c1ccccc1C2c3c(C(C2)CCO)cccc3	44
+c1cc(ccc1)C2Cc3ccc(cc3C2)O	5
+C1(=O)c2ccccc2C(=O)N1CCN3C(C=CC(=N3)c4ccccc4)=O	332
+C1CN(CCC1c2ccccc2)CCCC(Nc3ccccc3C(=O)N)=O	191
+c1cc(ccc1)C=CC(=O)Nc2cc(ccc2)OCC(=O)O	4
+c1cc(ccc1)CC(O)C=CC2N(CCCCOCC(=O)OC)C(=O)CCC2	1565
+c1cc(ccc1)CCC(NC(Cc2ccccc2)C(OC)=O)=O	188
+C1CC1NC(=O)C(=O)C(Cc2ccccc2)NC(c3cccnc3-n4cc5ccccc5n4)=O	1363
+c1cc(ccc1)CC(CCC2CCCC(N2CCCCOCC(=O)OC)=O)O	460
+c1ccccc1Cc2c3cc(Br)ccc3[nH]c2C	518
+C1CC(CCN1c2ccc(cc2)OC)NC(=O)CCc3ccccc3	9
+c1ccccc1CCC(NC(Cc2ccccc2)C(=O)O)=O	4
+c1cc(ccc1)CCCCCCCCOCC(O)CN	18
+c1cc(ccc1)C(c2ccccc2)(CCCN(CCc3ccccc3)C)C(N)=O	53
+C1CC(CCN1CCc2ccccc2)N	733
+c1cc(ccc1[N+]([O-])=O)SCCc2ccccc2	972
+c1ccccc1CN(C)CC(=O)CCc2ccccc2	4456
+C1=C(CC)C(NC(N1C2OC(C(O)C2)CNC)=O)=O	25
+c1cc(ccc1)CN(CCc2cccnc2Cl)CCO	15
+c1cc(ccc1)CN2CCOc3c(cccn3)CC2	91
+c1ccccc1CN(Cc2ccccc2)CC(c3cc(c(cc3)O)NC=O)O	16
+c1ccccc1CN2C(=O)CCC2C(=O)NC(C(C(OCC)=O)O)Cc3ccccc3	9
+OC(C1NCC(OC1)C)C	25
+c1cc(ccc1)CN2C(C(O)C)COC(C2)C	15
+CCC1C(CCNC1)=O	25
+c1c(cc2cc(C(Nc3cc(F)cnc3)=O)[nH]c2c1)C4CCNC4	25
+c1(cc2c(OCO2)cc1)CC3CNCCC3	25
+c1c(C)c2c(ccc(OC)c2)nc1NC3CNCC3	25
+c1ccccc1CN2CC(c3ccc(c(c3)Cl)Cl)C(N)C2	157
+c1cc(ccc1)CN2CC(CC2)c3cc4c([nH]c(C(Nc5cncc(c5)F)=O)c4)cc3	510
+c1cc(ccc1)CN2CC3C(CCC3C2)N	18
+c1cc(ccc1)CN2CC(CC2)CCN	51
+c1cc(ccc1)CN2CCC(Oc3cc(ccc3-c4ccncc4)F)C2	498
+C1CC(CCN1Cc2ccccc2)(Nc3ccccc3)CO	95
+c1cnccc1-c2c(cc(cc2)F)OC3CCNC3	25
+c1cc(ccc1)CN2CC(CCC2)Cc3ccc4OCOc4c3	15
+c1cc(ccc1N2CCN(CC2)Cc3ccccc3)C#N	34
+c1cc(ccc1F)OCc2cc(ncc2)OCc3ccccc3	91
+c1cc(ccc1C(C(C)C)C(=O)OCc2ccccc2)[N+]([O-])=O	1699
+N1C(=O)NC(=O)C12CC(C(=O)O)CC2	210
+c1c(C)c(c(cc1)C)NC(Nc2c(cc3ccccc3c2)C(N(CC(=O)O)CC4CCCCC4)=O)=O	210
+c1ccccc1C2(CC3C(CNC3)C2)O	62
+c1cc(ccc1)COC(N2CC(O)C(N)CCC2)=O	18
+CC(C)(CCOC(=O)CCCCCCCCC)C(O)=O	210
+c12c(cccc1Cl)c3CC(C(=O)O)CCc3n2CC(OCC)=O	210
+c1ccccc1COC(N2CCCC(NC(c3ccccn3)=O)C(O)C2)=O	81
+c1cc(ccc1)COCC2C(=C)CCCC2	2114
+O(CC)C(c1cccc(C=2CCCCC=2c3cc(Cl)ccc3O)n1)=O	16
+c1c(c(O)c(cc1)OC)CC(OC)=O	16
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+c1cc(ccc1)COc2c(cc(C(O)C)c(C)n2)C#N	652
+C1CNCCC1c2ccc(cc2OCc3ccccc3)OCc4ccccc4	215
+c1cc(ccc1)COc2c3CCNCc3ccc2OC	162
+c1cc2CNCCc2c(O)c1OC	16
+c12ccc(cc1c(O)c(c(CC(OC)=O)c2)C)F	16
+c1cc(ccc1)COc2cccc(c2)CCCN	15
+c1(Cl)c(Cl)c(OC)cc(O)c1	16
+C1CC(CCN1C=O)N2c3c(C(=O)N(Cc4ccc(OC)c(c4)OC)C2=O)cc(O)cc3	16
+c1cc(ccc1)COc2cc(c3c(c2)nc(O)cc3)C4CO4	5020
+c1cc(ccc1)COc2ccc(C=CC(O)=O)cc2OC	108
+c1cc(ccc1C)CNC(C=Cc2cc(OC)c(cc2)OCc3ccccc3)=O	771
+c1cc(ccc1)COc2ccc(cc2)C3N(C(=O)C3CCC(c4ccc(cc4)F)O)c5ccc(cc5)F	74
+c1cc(ccc1N2C(c3ccc(cc3)O)C(CCC(c4ccc(cc4)F)O)C2=O)F	16
+c1cc(ccc1N(C(=O)C2c3c(c(OCc4ccccc4)ccc3)CCC2)Cc5cnc(OC)cc5)C(C)C	429
+c1cc(ccc1)COc2nc(NC(C)(C)c3ccccc3)nc(Cl)n2	387
+c1cc(ccc1)Cn2nc(c(c2)CO)OCc3ccccc3	536
+O=S(=O)(c1ccc(cc1)C)C[N+]#CCc2c(nn(Cc3ccccc3)c2)OCc4ccccc4	5067
+c1cc(ccc1)Cc2cn(CCNO)c3c2cccc3	2498
+c1cc(ccc1)Cc2c3cc(-c4ccc(cc4)O)ccc3n(C)c2C	5
+c1cc(ccc1)Cc2c3cc(ccc3n(C)c2C)-c4ccc(cc4)OCC(=O)O	4
+c1cc(ccc1)Cc2c3c(cccc3)n(CC=O)c2	59
+c1cc(ccc1)COc2nn(Cc3ccccc3)cc2C=O	576
+c1cc(ccc1)NC(=O)Nc2c(cc(c(C=3C(=O)N(c4c(cnc(NC(CC#N)=O)c4)C=3)CC)c2)F)F	446
+c1ccccc1CCC(C(NC(CC(C)C)C(Nc2ccccc2)=O)=O)CSC(C)=O	33
+c1cc(ccc1)Nc2cnc(-c3ccc(c(c3)F)OCc4ccccc4)cc2	1674
+c1ccccc1Nc2nc(nc(n2)Cl)-c3ccccc3	360
+c12ccccc1cc3c(cc4ccccc4c3C=O)c2	2224
+c1ccccc1N2C(c3cc(OC)ccc3)C(CO)CC2=O	95
+c1cc(ccc1)N2CCN(CC2)C(NCCCC=O)=O	598
+c1ccccc1Nc2cnc(-c3cc(F)c(cc3)O)cc2	16
+c1ccccc1Oc2ccc(cc2C(=O)OC)C(c3ccc(cn3)Br)=O	46
+c1cc(ccc1C(c2ccc(cc2)[N+]([O-])=O)=O)OC	222
+c1cc(ccc1C(Cc2ccc(cc2)Cl)=O)OC	214
+c1cc(ccc1CN2CCCC3(C2)C(CCCC3)NC(=O)Nc4cc(-c5n(nnn5)C)ccc4)F	238
+c1cc(ccc1F)-n2ncc3cc(C(C)(C)C(C)(C)CNC(Nc4nccs4)=O)ccc23	238
+c1cc(ccc1)Oc2ccc(cc2C(=O)O)C(=O)c3ncc(cc3)N(C)c4ccc(cc4)Cl	1
+c1ccccc1Oc2cc(ccc2)C(C#N)OC(=O)C(C(C)C)c3ccc(cc3)N=[N+]=[N-]	204
+c1ccccc1Oc2cccc(n2)CN	421
+c1cc(ccc1S(=O)(=O)NCC2Cc3cc(C=CC(=O)OCC)ccc3C2)Cl	530
+c1ccccc1Sc2ccc(cc2CO)F	611
+c1cc(ccc1)Sc2c(cc(cc2)Nc3c(cnc4ccc(N)cc34)C#N)Cl	0
+c1cc(ccc1Cl)C2C(CC(C)(C(=O)N2C(CC)CO)CC=C)c3cccc(c3)Cl	5073
+c1ccccc1[Si](c2ccccc2)(OCC3CCC(C)CN3)C(C)(C)C	2
+c1nc(ncc1)-c2c(nc(cc2)C)C(=O)N3C(CO)CCC(C)C3	701
+c1cc(ccc1)[Si](c2ccccc2)(OCCN(Cc3ccc(cc3)C(OC)=O)C)C(C)(C)C	328
+c1cc(ccc1)[Si](c2ccccc2)(OCCn3cc(cn3)I)C(C)(C)C	328
+O=S1(=O)N(CCCO)Cc2ccccc2N1	701
+c1ccccc1[Si](c2ccccc2)(OCCN(C)Cc3ccc(cc3)CO)C(C)(C)C	98
+c1cc(ccc1)[Si](c2ccccc2)(Oc3cc(OC)c(c(c3)OC)CO)C(C)(C)C	41
+c1cc(ccc1-c2c(-c3ccccc3)nc4c(CCCN4CCCCCCC(=O)O)n2)C	3
+CN(C)c1c(C=CC(OC)=O)c(c2ccccc2n1)-c3ccc(cc3)F	4217
+c1cc(ccc1F)-c2c(c3c4CC(C)(C)Oc4ccc3o2)C(=O)O	1
+c1cc(ccc1F)-c2c3c(nc(c2C=CC=O)N(C)C)cccc3	5076
+c1cc(ccc1C)-c2cc(C(O)=O)cc(c2)C(N(C)CC(C)C)=O	6
+c1ccccc1CNC(c2cccc(c2)-c3ccc(cc3)C=C4SC(=O)NC4=O)=O	14
+c1cc(ccc1-c2cc3c(cc(OCCOCCOCCF)cc3)cc2)N	0
+c1cc(ccc1C#N)-c2ccc(cc2)C=COC	1417
+C(O)C(CO)Cc1ccc(cc1)-c2ccc(cc2)OCc3ccccc3	5077
+c1cc(ccc1-c2cc3c(cc2)n(c(-c4ccccc4)c3CCCCC)C)O	5
+c1cc(ccc1CC2SC(NC2=O)=O)-c3cc(ccc3)C(=O)NCCCCCCCC	534
+c1cc(ccc1NC(=O)c2cc(CCCC)n(Cc3ccc(cc3)-c4ccccc4-c5[nH]nnn5)n2)Cl	187
+c1cc(ccc1C(=O)C)N2C(CC)=NC(CCC)=C(Cc3ccc(cc3)-c4ccccc4C#N)C2=O	1778
+c1cc(ccc1O)-c2cn(c3cc(ccc23)-c4cc(ccc4)[N+]([O-])=O)-c5ccncc5	5
+c1cc(ccc1-c2cnc3n(n2)c(C4(CC4)c5ccc6ncsc6c5)nn3)C(=O)O	1
+c1cc(ccc1-c2oc(C)c(n2)CC(O)=O)F	3
+c1cc(ccc1NC(=O)Oc2ccccc2)-c3nc4CN(C)Cc4c(N5CCOCC5C)n3	90
+c1cc(ccc1-c2nc(sc2)Nc3cc(ccc3)OC)C4CCC(CC4)CC(O)=O	3
+c1cc(ccc1-c2[nH]c3c(cccc3)n2)C(O)=O	1
+c1cc(ccc1F)-c2cn3c(CCCC3)n2	3035
+c1cc(ccc1-c2nnn(C)c2COc3nnc(cc3)C(O)=O)F	6
+c1cc(ccc1N)-c2c(c(NC(NCCCN3CCCC3)=O)sn2)C(=O)N	0
+c1cc(ccc1-c2ocnc2)N	0
+c1cc(ccc1-c2sc(cn2)C(Nc3nccc(n3)N4C(C(C)N)COC4=O)C)Cl	18
+c1cc(ccc1F)-n2c(-c3cn(cn3)-c4ccc(C(OC)=O)cn4)c(nn2)C	3033
+c1cc(ccc1-n2c(-c3ccc(cc3)Cl)cc(CCC(=O)C)n2)OC	86
+c1cc(ccc1-n2nccc2C(C(CC)CC)NS(=O)(=O)c3ccc(Cl)s3)O	5
+c1cc(ccc1-n2cncc2C=O)C#N	614
+c1ccccc1-c2cn(-c3ccc(cc3)CCNC(Oc4ccccc4)=O)c(CC)n2	101
+c1cc(ccc1F)-n2nc(c(OCC)c2)C(=O)O	6
+c1cc(ccc1-c2ccc(cc2)C3C(C3)CCO)C#N	11
+c1cc(ccc1CO)-c2ccc(C=O)nc2	89
+c1cc(ccc1-c2nc(oc2C3C(CCCC3)C(O)=O)-c4cccc(c4)Cl)Br	4
+c1cc(ccc1C(CO)C)Br	44
+c1cc(ccc1Br)-c2nc(oc2C3C(C(=O)OC)CCCC3)-c4cccc(c4)Cl	5081
+c1cc(ccc1C2C(C=C)C2)Br	4278
+c1cc(ccc1C2C(C2)CC=3N(CC)C(=O)NN=3)Br	2082
+c1cc(ccc1Br)C2CC2C=O	24
+c1cc(ccc1S(=O)(=O)N(C)c2cccc(OC)c2)-c3ccc(cc3)C=O	2256
+c1cc(ccn1)-c2ccc(cc2)CN3C(C(OC)=CC=C3)=O	498
+c1ccccc1-c2[nH]c3ccc(Br)cc3c2CCCCC	1150
+c1cc(ccc1Br)Oc2c(cc(c(C)c2)N)C	0
+c1cc(ccc1C#Cc2nc(ncc2)Cl)F	838
+c1cc(ccc1C#N)-c2ncc(N)nc2-c3ccc(cc3)C	696
+c1cc(ccc1CC=O)-c2ccc(cc2)C#N	1292
+c1cc(ccc1-n2c(cnc2)CO)C#N	874
+c1cc(ccc1COc2c(c(cnc2C)CNc3ccc(cc3)C#N)CO)C#N	483
+c1cc(ccc1CN)CNC(N2CCN(CC2)C(=O)CNC(=O)OCc3ccccc3)=O	107
+c1cc(ccc1C#N)-n2nccc2	926
+c1cc(ccc1OC)CCN(S(=O)(=O)c2ccc(cc2)C#N)CCC(=O)OC	92
+c1cc(ccc1C)C(=O)C(Nc2c(cccc2)-c3cc(c(cc3)OC)OC)=O	2678
+c1cc(ccc1Oc2cc(-c3ccc(-c4nccs4)[nH]3)cc(c2)OC(COC)C)C(C)O	74
+c1cc(ccc1[N+](=O)[O-])C=2Oc3c(cc(cc3)Br)C(=O)C=2	3166
+c1cc(ccc1CCCC(=O)O)SC	165
+c1cc(ccc1O)CCCCCCCCCCCC	165
+c1cc(ccc1C(Nc2ccc(cc2)C3Nc4c(CC3(C)C)cc(C(=O)OC)cc4)=O)F	50
+c1cc(ccc1F)C(NC2CCN(CC2)Cc3ccccc3)=O	93
+c1cc(ccc1C(=O)N2c3ccccc3CCc4ccccc4C2)NC(c5c(cccc5)C)=O	448
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3c4c(cccc4)-n5c(ccc5)C3	448
+c1cc(ccc1N)C(N2c3ccccc3Cc4c(cccc4)C2)=O	0
+c1cc(ccc1C(=O)NCCO)N	0
+c1cc(ccc1C(=O)Nc2cc3c(ncn3C(c4ccccc4)CC(O)=O)cc2)N	3
+c1cc(ccc1Oc2c([N+](=O)[O-])cc(cc2)Cl)C(=O)O	1
+c1cc(ccc1C(O)=O)-c2c(C)ccc(NC(c3cccs3)=O)c2	6
+c1cc(ccc1C(c2cc(Br)c(OCCBr)cc2)=O)O	5
+c1cc(ccc1N)C(C(=O)OCc2ccccc2)C(C)C	0
+C1CCCC1CC(c2ccc(cc2)C#CCN(C)C)C(=O)O	4
+CC(C)(c1ccc(cc1)Nc2c3cc(Br)ccc3ncc2N)C#N	13
+c1cc(ccc1C(C)C)C(CBr)=O	380
+c1cc(ccc1NCc2ccc(OC)nc2)C(C)C	3143
+c1cc(ccc1C(CC)(CC)c2cc(C)c(C=CC(CC)(CC)O)cc2)-c3ccc(CC(O)=O)cn3	3
+C1CCCC1CC(C(=O)O)c2ccc(cc2)-c3ccc4c(c3)cc[nH]4	4
+c1cc(ccc1C(CCC(O)=O)=O)-c2c(cc(Cl)cc2)F	4
+c1cc(ccc1O)C(=O)CCN2CC3CC(CC3C2)(O)c4ccccc4	1644
+c1cc(ccc1Cl)CC(=O)c2ccc(cc2)O	5
+c1cc(ccc1NC(CCc2cc3c(OCO3)cc2)=O)C(NN=C4c5c(ccc(c5)Br)NC4=O)=O	2305
+c1cc(ccc1C(Nc2cc(Nc3ccc(Cl)c(-c4c5ccccc5[nH]c4)n3)ccc2)=O)N	741
+c1cc(ccc1C(Nc2ccc(c(c2)N)C)=O)C#N	0
+CC1(C)C(Nc2ccc(cc2C1)C(=O)O)c3ccc(cc3)NC(c4ccc(cc4)F)=O	1
+c1cc(ccc1NC=C2C(Nc3c2ccc(C(=O)c4cccc(c4)NC(c5sccc5)=O)c3)=O)C(=O)O	1300
+c1cc(ccc1CO)-c2ocnc2	98
+c1cc(ccc1CC(=O)Nc2cccc3cccnc23)C(O)=O	1
+c1cc(ccc1Cc2ccc(cc2)-c3occn3)OCCN(Cc4ccc(cc4)C(O)=O)CCN5CCOCC5	1
+c1cc(ccc1C(OC)=O)CNc2nc(nc(Cl)n2)NC3Cc4c(C3)cccc4	387
+c12c(cccc1)CC(C2)Nc3nc(nc(NCc4ccc(cc4)C(O)=O)n3)N	1
+c1cc(ccc1O)C(c2cc(Br)c(cc2)OCCBr)=C(c3ccccc3)CC	1051
+c1cc(ccc1C(c2cc(OC)c(c(c2)OC)OC)O)OC	488
+c1(cc(cc(OC)c1OC)Cc2ccc(cc2)OC)OC	452
+c1cc(ccc1C(=O)c2ccc(cc2)[N+]([O-])=O)O	5
+c1cc(ccc1C)-c2c(c(CC(C)C)nc3c2cc(OCCO)cc3)C#N	59
+c1ccccc1-c2c(-c3ccc(cc3)C)nc4cccnc4n2	2235
+c1cc(ccc1C)C(O)C(=O)Nc2c(-c3cc(OC)c(cc3)OC)cccc2	5085
+c1cc(ccc1CC(C)(C)N)C	2886
+c1cc(ccc1Oc2ccc(cc2)C)C=O	46
+O=S(=O)(c1ccc(cc1)C)OCCc2ccc(cc2)-c3cc4c(CN(CC4)C(=O)COC(C)=O)cc3	36
+c1cc(ccc1C)S(=O)(=O)OCCOc2cc3nc(cnc3cc2)-c4ccc(cc4)N(C)C	36
+c1cc(ccc1S(=O)(=O)OCC2CCc3c(C2)ccc(C4CC5(COC(=O)N5)CC4)c3)C	36
+O=S(=O)(c1ccc(cc1)C)OCC(Cc2c(OCc3ccccc3)c4CCCc4cc2Cl)O	36
+O=S(=O)(c1ccc(cc1)C)OCCn2cc(cn2)I	36
+c1(cccc(-c2ccnc3n2ncc3C(=O)c4occc4)c1)NCC	2252
+c1cc(ccc1OC)CN2C(CN(Cc3cc(C)c(C)cc3)C2=O)CCOc4ccc(cc4)OC(C)(C)C(OCC)=O	267
+c12c(cccc1)C(=O)N(C2=O)CCCCC=C	2140
+c1cc(ccc1OCCC[Si](C)(C)CCCC)O	450
+c1cc(ccc1S(=O)(=O)OCc2ccc(cc2)OC(=O)C(C)=C)C	1312
+c1cc(ccc1C)S(=O)(=O)OCCC2N(C(N(Cc3cc(C)c(C)cc3)C2)=O)Cc4ccc(cc4)OC	1312
+c1cc(ccc1C2(c3ccc(cc3)-c4noc(CO)n4)CC5CC2CC5)OCc6ncccc6	59
+c1cc(ccc1CCNC(=O)C2(CCC2)c3ccc(cc3)Cl)OC	9
+c1(cc(cc(Cl)c1OCCCC(=O)c2ccc(cc2)F)OCC=C(Cl)Cl)Cl	1367
+c1cc(ccc1C#N)C2(c3ccc(cc3)OCc4ncccc4)CC5CC2CC5	274
+c1cc(ccc1C=2CCCCC=2C)C(N3Cc4cccn4Cc5ccccc35)=O	610
+c1cc(ccc1C2CCC3(CC2)OCCO3)OC	191
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(O)=O)N	1
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(O)=O)NC(C(C)C)=O	1
+c1cc(ccc1C2C(C)(C)Cc3cc(ccc3N2)C(=O)OC)N	0
+C1CN(CCC12C(c3ccc(cc3)F)C(=O)NC2)Cc4ccccc4	1781
+c1cc(ccc1Cl)C2CCCC(C2)C=O	1143
+c1cc(ccc1C2CC(=O)N(C2C(OCC)=O)C)N	0
+CC1(C)CC(c2ccc(cc2)Cl)c3c(cc(O)cc3)C1=O	5
+c1cc(ccc1CC(F)F)C2CC(C(O)=O)CN(C2)C(C)=O	4
+c1cc(ccc1C2CC(c3onc(CCOC)n3)CN(C(=O)Oc4ccc(cc4)[N+](=O)[O-])C2)CC(F)F	66
+c1cc(ccc1C(=O)O)C2CCC(=O)NC2	6
+C1CC(CCC1c2ccc(cc2)OC)=O	97
+c1cc(ccc1F)C2CC(O)Cc3sc(Nc4cc(c(-n5cc(nc5)Cl)cc4)OC)nc23	100
+c1cc(ccc1-c2cc(ccc2)C(=O)O)C=C3SC(=O)NC3=O	6
+c1cc(ccc1CCC(c2cc(Cl)ccc2)=O)Cl	2301
+c1cc(ccc1C(OC)=O)CN(CCOc2ccc(cc2)Cc3ccc(cc3)-c4occn4)CCN5CCOCC5	48
+c1cc(ccc1-c2nc3c(cccc3)[nH]2)C(OC)=O	622
+c1cc(ccc1C=O)CCOC(=O)c2ccccc2	279
+c1ccccc1C(c2ccccc2)C3OCCC(NCc4ccc(cc4)F)C3	42
+c1ncncc1Oc2ccc(cc2)C=O	3029
+c1cc(ccc1CO)OC(C)C(=O)OC	41
+C1CC(CCN1Cc2ccc(cc2)Oc3cc(c(cc3F)F)F)c4c(C)ccc(NC(=O)OCc5ccccc5)c4	48
+c1cc(ccc1C=O)CC(=C(C(=O)OC)C(C)C)C(OC)=O	39
+c1cc(ccc1Oc2cc(ccc2)N)CC(=O)OC	0
+c1cc(ccc1N2CCN(CC2)C)CC(C)C(=O)OCC	2283
+c1cc(ccc1C2CC(CNC2)c3onc(CCOC)n3)CC(F)F	526
+c1cc(ccc1CC(N2CCOC(c3cccc(n3)Cl)C2)C)OCCO	15
+c1cc(ccc1CCc2nc(NC(=O)C)sc2)CCO	95
+c1cc(ccc1)CCNC(CCc2ccc(cc2)CC3=C(C)C(=O)C(OC)=C(C3=O)OC)=O	9
+c1cc(ccc1Cl)CC2N(CC3CC3)CCC2	15
+c1cc(ccc1CC2=C(C)C(=O)C(OC)=C(C2=O)OC)CCC(=O)O	1450
+c1cc(ccc1CCC(=O)O)Cc2c(c(c(OC)c(c2C)OC)OC)OC	3
+c1cc(ccc1CCCO)CCc2nc(NC(=O)C)sc2	95
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+c12C(CCCc1ccc(SC)c2)=O	3090
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+c1cc(ccc1CCCn2c(-c3ccc(cc3)OCc4ccccc4)ccc2C)CCCCC	3476
+c1cc(ccc1CCCn2c(C)ccc2-c3ccc(cc3)O)CCCCC	16
+c1cc(ccc1CCNCc2ccccc2)O	42
+C1CNCCC12C(N(C(N2CCc3ccc(cc3)OC)=O)CC4CC4)=O	25
+c1cc(ccc1Cl)C2(CCC2)C3=NCCc4c3cc(cc4)OC	1120
+c1cc(ccc1CCNCc2ccccc2)Oc3ncc(cc3)C(N)=O	136
+c1ccccc1CCN(CCc2ccc(cc2)Oc3ncc(C(=O)N)cc3)Cc4ccccc4	28
+c1cc(ccc1C=O)CCO	1262
+c1cc(ccc1OCC=C)COCCn2nccn2	555
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5cc(c(cc5cn4)CC(NCc6ccc(cc6)F)=O)[N+](=O)[O-]	9
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+CC(C)C1CN(CCN1)c2ccc(N)nn2	755
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+c1ccccc1CC(C(C(OCc2ccc(cc2)OC)C)Cc3ccccc3)=O	86
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+CC(C)(c1ccc(cc1)F)CN	51
+c1cc(ccc1F)C(=O)NC2CCNCC2	25
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+c1cc(ccc1F)Nc2nc(Nc3cc(c(cc3)F)Cl)ccn2	55
+c1cc(ccc1Nc2ccc(cc2)S)[N+](=O)[O-]	1370
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+c1nc(c2CN(C)C(=S)c3cc(ccc3-n12)F)C(=O)OCC	581
+O=S(=O)(Nc1ccccc1C(c2ccccc2)=O)c3ccc(cc3)NC(c4ccccn4)=O	69
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+C1COCCN1CCCc2ccc(cc2)S(=O)(=O)NCc3ccc(cc3)C(=O)Nc4cccnc4	213
+O=S(=O)(c1ccc(cc1)CN)c2ccccc2	107
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+COCCOCCOCC(N)C	932
+C[Si](C)(C)CCOCOc1ccc(cc1NC=O)C(CN)O	932
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+c1ccccc1CN2C(C)=CC(C3=C2N(C)C(=O)N(CCCCC(N)C)C3=O)=O	18
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+C1CC(CCN1)c2n(C)nnn2	25
+N1Cc2c(c3cc(C#N)ccc3nc2CC1)Cl	25
+N1Cc2c(CC1)c(O)nc(C)n2	25
+c1ccccc1CN2CCCc3c2cc(Cc4c(C(C)C)ccc(Br)c4)cc3	452
+c1ccccc1CNC(c2cc(ccc2)-c3ccc(cc3)CC4SC(=O)NC4=O)=O	534
+c1cc(ccc1)S(=O)(=O)N(c2cccc(c2)N3C(NCC3)=O)Cc4ccccc4	416
+c1cc(ccc1C(C(C)C)C(=O)O)N=[N+]=[N-]	210
+c1cc(ccc1)COc2cccc(c2)CCC(O)=O	210
+c1ccccc1COC(N2CC(OC3CC3)CC2C(O)=O)=O	4
+c1ccccc1COC(N2C(c3nc4cccc(c4o3)C(OC)=O)CCC2)=O	2037
+c1cc(ccc1)C(CN2CC(OCCOCCOCCOCCOCCOC)CC2)NC	3172
+c1ccccc1COC(=O)NC2CNC3Cc4c[nH]c5cccc(C3C2)c45	2436
+c1ccccc1COC(=O)NCCCNc2c(N)c(nc3ccccc23)Cl	13
+c1cc(ccc1C=2CCN(C(OCc3ccccc3)=O)CC=2)NC(=O)OCc4ccccc4	252
+c1ccccc1COC(N(CC(N(c2ccc(cc2)CO)C)=O)C)=O	98
+C1COC2(O1)CCNC(C(OC)=O)C2	5102
+c1ccccc1COC(N2C(C)CCC(O)C2)=O	2118
+O=S(=O)(C)OC1CNC(COCCO)C1	62
+c12cccc(C(=O)N)c1oc(n2)C3NCCC3	62
+c1ccccc1COC(N2Cc3oc(-c4ccccn4)nc3CCC2)=O	5103
+C1CC1OC2CC(N(C2)C(=O)OCc3ccccc3)CO	21
+c1ccccc1COC(N2CC(C(CCC2)NC(c3ncccc3)=O)=O)=O	86
+c1ccccc1COC(N2CCN(Cc3cccc(-c4cc(ccc4F)CN)c3)CC2C)=O	107
+c1ccccc1COC(=O)NC(c2ccccc2)CN3CC(CC3)OCCOCCOCCOCCOCCOC	15
+[nH]1c2cccc3c2c(CC4N(CC(N)CC34)CCC)c1	102
+c1cc(ccc1OCCCN2CCCC2C)-c3sc4CCC(c4n3)N	102
+O=S(=O)(N)NCCCCC	5100
+c1ccccc1COC(c2cc(ccc2OC)CO)=O	41
+C1CC2(CCN1C(=O)c3cc(OC)c4cccc(OC)c4n3)Oc5c(C(=O)C2)cc(cc5)C(=O)O	426
+c1ccccc1COCCCCCCCCCCCS	1113
+c1ccccc1COc2ccc(F)cc2N	0
+c1ccccc1COc2cc(c(N)cc2OC)C#N	0
+c1ccccc1COc2ccc(c(C)c2)CC(C(=O)OC)OCC	3168
+c1ccccc1COc2cc(cc3c2C(OB3O)CC(OCC)=O)O	805
+C(OC(=O)CC1c2c(B(O1)O)cc(Oc3cnccn3)cc2O)C	16
+c1ccccc1COc2cc(cc3B(OC(CC(OCC)=O)c23)O)Oc4nccnc4	842
+c1ccccc1COc2cccc(-c3cc(CCCO)ccc3)c2	21
+C(C(=O)OCC)c1c2c(cc(O)c1)cccc2	16
+c1ccccc1COc2cc3c(cc2)CNCCO3	162
+c1c2c(ccc1O)n(cc2)Cc3cc(ccc3)C(=O)OC	16
+C1CCN1C(Cc2ccc(cc2C#N)O)=O	16
+C(C)OC(c1n(c2c(c(Cl)ccc2O)c1)C)=O	321
+C(C(OCC)C(OC)=O)c1ccc(cc1C)O	16
+O(CC)C(c1cccc(-c2ccccc2-c3c(ccc(Cl)c3)O)n1)=O	16
+c1c2c(ccc1O)n(cc2)C(C(OC)=O)C	16
+CC(C)n1c(C(O)=O)cc2cc(OCc3ccccc3)ccc12	6
+c1ccc(O)cc1-c2cc(CCCO)ccc2	16
+CCOC(OCC)c1cc2cncc(-c3cc(O)ccc3)c2o1	16
+CC(C)(C)[Si](C)(C)OCc1c(cncc1O)OCc2ccccc2	321
+c1cc(ccc1)Cc2c(cccc2)CO	217
+c1ccccc1Cn2c(C)nc3N(C(N(C(c23)=O)CCCCC(O)C)=O)C	59
+Cc1nc2N(C(N(CCCCC(O)C)C(c2[nH]1)=O)=O)C	2152
+c1cc(ccc1)CN2C(=O)Nc3c(nc(NCCOC)nc23)N	1604
+c1ccccc1N2CCN(CC2)CCCOc3c(Cl)ccc(N)c3	0
+c1ccccc1NS(=O)(=O)c2cc(CN)c(Oc3cc(c(SC)cc3)C)cc2	107
+c1ccccc1OCc2oc3ccc(cc3c2)CN	107
+c1ccccc1Oc2cc(N)c(O)cc2	0
+CN(C)Cc1[nH]c2c(c1)cc(cn2)[N+]([O-])=O	1017
+c1cc(ccc1)Sc2ccc(cc2N)C	0
+c1ccccc1[Si](c2ccccc2)(N3C(=O)CC3C=O)C(C)(C)C	24
+C1CC(CCN1C(=O)COC(=O)C)CO	701
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)N3C(CC3=O)CO	118
+c1ccccc1[Si](c2ccccc2)(N3C(=O)CC3COCc4ccccc4)C(C)(C)C	21
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC3CCC(CN3C(c4nc(ccc4-c5ncccn5)C)=O)C	147
+c1cc(ccc1)[Si](c2ccccc2)(OCCN(Cc3ccc(cc3)C=O)C)C(C)(C)C	39
+C1CC2COCC(=O)N2CC1c3ncc4c(Cl)nccn34	856
+c1cnccc1-c2ccc(cc2)C(C(=O)O)CC3CCCC3	4
+c1cnccc1-c2ncccc2OC3CCNCC3	25
+c1cnccc1Cc2c3ccccc3[nH]c2	2188
+C1CC(CCN1)Cc2c[nH]c3ccccc23	2126
+c1n(c2ncccc2n1)-c3ccc4c(C(=O)CC4C(=O)O)c3	3
+c1(nccc(O)c1C)CSc2nc3ccccc3[nH]2	5
+c1nc(c2N=NN(CC(=O)O)C(=O)n12)C(=O)N	3
+n1cccnc1C(F)(F)CO	44
+C1CC(CCC1Nc2ncccn2)CCO	44
+c1cc(ccc1Oc2ncc(cn2)Br)O	5
+n1(ncc2c1ccc(c2)NC(Nc3cccc(Oc4ccnc(C(O)=O)c4)c3)=O)C	1
+C(=O)(c1cnc(-n2nnnc2)cc1)O	1
+n12c(C)nnc1c(NCc3c(C)cccc3CC)cc(C(=O)O)c2	1
+n1n(-c2cc(Cl)ncn2)cnc1	5106
+n1c(NC(CC)C)cc(cc1-c2ccccc2F)C(=O)O	1
+COc1nc(nc(OC)c1)Oc2c(nc(N3CCCC3)cc2)C(O)=O	1
+c12cnc(cc1c3c([nH]2)ncc(c3)Br)OC	4863
+n1c(c(N)ccc1F)C(=O)N	13
+n1c(C#N)cc(C)n1CCCC	331
+C(c1ccc2ncccc2c1)N	107
+n1c2c(ccc1)cc(C#N)cc2	274
+C(c1cc(OC)c(C)cc1)Nc2cc(-c3cc(ccc3)O)cnc2	162
+n1ccc(NC(C)c2ncc(cc2)F)nc1Nc3cccnc3O	104
+n1c(c(ccc1)CO)-c2ccc(cc2F)F	295
+O(c1c(cccn1)CO)C	295
+n1cccnc1N2CCN(CC2)C3Cc4c(cccc4O)CC3	5
+c1n(-c2ccc(c(C)c2)C)nc(N)c1	161
+n1n2CCCC(c2c(N)c1C(=O)N)=O	209
+n1n2c(c(O)ccc2)nc1N	982
+n1n2c(cc(Cl)cc2)nc1N	982
diff --git a/releases/n1-n5-composites-inchi-v1/payload/stock/leaves.jsonl b/releases/n1-n5-composites-inchi-v1/payload/stock/leaves.jsonl
new file mode 100644
index 0000000000000000000000000000000000000000..51cdcf3bef47c233e297fe118fda38a12867162c
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/stock/leaves.jsonl
@@ -0,0 +1,71818 @@
+{"dataset": "n1", "route_id": "0", "node_path": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "smiles": "CC(C)(C)C(N)CO"}
+{"dataset": "n1", "route_id": "0", "node_path": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1], "smiles": "Clc1nc(Cl)ncc1F"}
+{"dataset": "n1", "route_id": "0", "node_path": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1], "smiles": "O=S(=O)(C)Cl"}
+{"dataset": "n1", "route_id": "0", "node_path": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1], "smiles": "OC(C)=S"}
+{"dataset": "n1", "route_id": "0", "node_path": [0, 0, 0, 0, 0, 0, 0, 1], "smiles": "CI"}
+{"dataset": "n1", "route_id": "0", "node_path": [0, 0, 0, 0, 0, 1], "smiles": "S(OO)(O)=O"}
+{"dataset": "n1", "route_id": "0", "node_path": [0, 0, 0, 1], "smiles": "CC1(C)OB(OC1(C)C)c2cn(S(=O)(=O)c3ccc(cc3)C)c4ncc(F)cc24"}
+{"dataset": "n1", "route_id": "1", "node_path": [0, 0, 0, 0, 0, 0], "smiles": "CO"}
+{"dataset": "n1", "route_id": "1", "node_path": [0, 0, 0, 0, 0, 1, 0, 0], "smiles": "O1C(=O)C(C(OC1(C)C)=O)C(C2CC2)c3cc(O)ccc3"}
+{"dataset": "n1", "route_id": "1", "node_path": [0, 0, 0, 1, 0, 0, 0, 0], "smiles": "CC(C)(C)C[Mg]Cl"}
+{"dataset": "n1", "route_id": "1", "node_path": [0, 0, 0, 1, 0, 0, 0, 1, 0, 0], "smiles": "c1cc(ccc1)[Si](c2ccccc2)(Cl)C(C)(C)C"}
+{"dataset": "n1", "route_id": "1", "node_path": [0, 0, 0, 1, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "smiles": "c1cc([n+](cc1Br)[O-])C(=O)OC"}
+{"dataset": "n1", "route_id": "1", "node_path": [0, 0, 0, 1, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 1], "smiles": "ClP(Cl)(Cl)=O"}
+{"dataset": "n1", "route_id": "1", "node_path": [0, 0, 0, 1, 0, 0, 0, 1, 0, 1, 0, 0, 0, 1], "smiles": "OB(O)c1cc(OC)ccc1F"}
+{"dataset": "n1", "route_id": "2", "node_path": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "smiles": "C(C(OCC)=O)(C)Br"}
+{"dataset": "n1", "route_id": "2", "node_path": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0], "smiles": "COc1cccc(O)c1"}
+{"dataset": "n1", "route_id": "2", "node_path": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1], "smiles": "[O-][N+](=O)c1ccccc1Cl"}
+{"dataset": "n1", "route_id": "2", "node_path": [0, 0, 0, 0, 0, 0, 0, 0, 0, 1], "smiles": "N"}
+{"dataset": "n1", "route_id": "2", "node_path": [0, 0, 0, 0, 0, 1], "smiles": "[N-]=[N+]=[N-]"}
+{"dataset": "n1", "route_id": "2", "node_path": [0, 1, 0, 0], "smiles": "c1cc(ccc1C(=O)O)OCCCCCC"}
+{"dataset": "n1", "route_id": "2", "node_path": [0, 1, 0, 1], "smiles": "ClS(Cl)=O"}
+{"dataset": "n1", "route_id": "3", "node_path": [0, 0, 0, 0], "smiles": "O=S(=O)(CC)Cl"}
+{"dataset": "n1", "route_id": "3", "node_path": [0, 0, 0, 1, 0, 0], "smiles": "N"}
+{"dataset": "n1", "route_id": "3", "node_path": [0, 0, 0, 1, 0, 1, 0, 0], "smiles": "C1c2c(cncc2Br)C(C(C1)C(OC)=O)=O"}
+{"dataset": "n1", "route_id": "3", "node_path": [0, 1, 0, 0], "smiles": "CC1(C)C(C)(C)OB(O1)B2OC(C)(C)C(C)(C)O2"}
+{"dataset": "n1", "route_id": "3", "node_path": [0, 1, 0, 1, 0, 0], "smiles": "CI"}
+{"dataset": "n1", "route_id": "3", "node_path": [0, 1, 0, 1, 0, 1, 0, 0], "smiles": "C1CC(=O)N(C1=O)Br"}
+{"dataset": "n1", "route_id": "3", "node_path": [0, 1, 0, 1, 0, 1, 0, 1, 0, 0, 0, 0], "smiles": "c1cc(N)c(cc1)F"}
+{"dataset": "n1", "route_id": "3", "node_path": [0, 1, 0, 1, 0, 1, 0, 1, 0, 0, 0, 1], "smiles": "C(CCl)C(=O)Cl"}
+{"dataset": "n1", "route_id": "4", "node_path": [0, 0, 0, 0, 0, 0], "smiles": "c1ccccc1CC[Mg]Br"}
+{"dataset": "n1", "route_id": "4", "node_path": [0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "smiles": "CC(C)(C)OC(=O)OC(=O)OC(C)(C)C"}
+{"dataset": "n1", "route_id": "4", "node_path": [0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0], "smiles": "C1CC(CCC1C(=O)OCCCC)C(O)=O"}
+{"dataset": "n1", "route_id": "4", "node_path": [0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1], "smiles": "O=S(=O)(C)Cl"}
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+{"dataset": "n1", "route_id": "4", "node_path": [0, 0, 0, 0, 0, 1, 0, 1], "smiles": "N(OC)C"}
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+{"dataset": "n1", "route_id": "5", "node_path": [0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 1], "smiles": "Clc1ccc(c(Cl)c1)[N+]([O-])=O"}
+{"dataset": "n1", "route_id": "5", "node_path": [0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 1], "smiles": "O=C1CCC(=O)N1I"}
+{"dataset": "n1", "route_id": "5", "node_path": [0, 1], "smiles": "C1C(CC1)[Zn+]"}
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+{"dataset": "n1", "route_id": "6", "node_path": [0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0], "smiles": "C(CC[Sn](CCCC)(CCCC)CC=C)C"}
+{"dataset": "n1", "route_id": "6", "node_path": [0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0], "smiles": "C(=O)C"}
+{"dataset": "n1", "route_id": "6", "node_path": [0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0], "smiles": "CO"}
+{"dataset": "n1", "route_id": "6", "node_path": [0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 1, 0, 0, 0, 1], "smiles": "Nc1c(c(ccc1)C(=O)O)Br"}
+{"dataset": "n1", "route_id": "6", "node_path": [0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1, 0, 1, 0, 1], "smiles": "C1CC(CCO1)=O"}
+{"dataset": "n1", "route_id": "7", "node_path": [0, 0, 0, 0], "smiles": "CCCC[Sn](CCCC)(CCCC)c1ccccn1"}
+{"dataset": "n1", "route_id": "7", "node_path": [0, 0, 0, 1, 0, 0, 0, 0], "smiles": "[Mg](C)Br"}
+{"dataset": "n1", "route_id": "7", "node_path": [0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "smiles": "O=C(O)C"}
+{"dataset": "n1", "route_id": "7", "node_path": [0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0], "smiles": "C(C(=O)CC(OCC)=O)Cl"}
+{"dataset": "n1", "route_id": "7", "node_path": [0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1], "smiles": "c1c(nc(cc1)N)C"}
+{"dataset": "n1", "route_id": "7", "node_path": [0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1, 0, 1], "smiles": "C1CC(=O)N(C1=O)Br"}
+{"dataset": "n1", "route_id": "7", "node_path": [0, 0, 0, 1, 0, 1], "smiles": "c1cccc2C(=O)NC(=O)c12"}
+{"dataset": "n1", "route_id": "8", "node_path": [0, 0, 0, 0], "smiles": "N#CCC(=O)O"}
+{"dataset": "n1", "route_id": "8", "node_path": [0, 0, 0, 1, 0, 0, 0, 0], "smiles": "CC(C)(C)OC(N1CC(CCC1)n2nc(I)c3c(N)ncnc23)=O"}
+{"dataset": "n1", "route_id": "8", "node_path": [0, 0, 0, 1, 0, 0, 0, 1, 0, 0], "smiles": "CC1(C)C(C)(C)OB(O1)B2OC(C)(C)C(C)(C)O2"}
+{"dataset": "n1", "route_id": "8", "node_path": [0, 0, 0, 1, 0, 0, 0, 1, 0, 1, 0, 0], "smiles": "I"}
+{"dataset": "n1", "route_id": "8", "node_path": [0, 0, 0, 1, 0, 0, 0, 1, 0, 1, 0, 1, 0, 0, 0, 0], "smiles": "c1cc(ccc1F)[N+](=O)[O-]"}
+{"dataset": "n1", "route_id": "8", "node_path": [0, 0, 0, 1, 0, 0, 0, 1, 0, 1, 0, 1, 0, 0, 0, 1], "smiles": "c1c(cc(c(F)c1)O)F"}
+{"dataset": "n1", "route_id": "8", "node_path": [0, 1], "smiles": "C1CC1C=O"}
+{"dataset": "n1", "route_id": "9", "node_path": [0, 0, 0, 0, 0, 0, 0, 0], "smiles": "CC(C)(C)OC(=O)OC(=O)OC(C)(C)C"}
+{"dataset": "n1", "route_id": "9", "node_path": [0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0], "smiles": "c1cc(ccc1P2(SP(c3ccc(cc3)OC)(S2)=S)=S)OC"}
+{"dataset": "n1", "route_id": "9", "node_path": [0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 1], "smiles": "FC(F)C1(NC(=O)COC1)c2c(F)c(ccc2)F"}
+{"dataset": "n1", "route_id": "9", "node_path": [0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1], "smiles": "N"}
+{"dataset": "n1", "route_id": "9", "node_path": [0, 0, 0, 0, 0, 0, 0, 1, 0, 1], "smiles": "[N+](=O)([O-])O"}
+{"dataset": "n1", "route_id": "9", "node_path": [0, 0, 0, 1, 0, 0], "smiles": "CC(C)(C)OC(=O)c1c(C)cc(C#N)cn1"}
+{"dataset": "n1", "route_id": "10", "node_path": [0, 0, 0, 0, 0, 0, 0, 0, 0, 0], "smiles": "BrBr"}
+{"dataset": "n1", "route_id": "10", "node_path": [0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0], "smiles": "C1CN(CCC1C(O)=O)C(C)=O"}
+{"dataset": "n1", "route_id": "10", "node_path": [0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 1], "smiles": "N(OC)C"}
+{"dataset": "n1", "route_id": "10", "node_path": [0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1], "smiles": "[Mg](C)Br"}
+{"dataset": "n1", "route_id": "10", "node_path": [0, 0, 0, 0, 0, 0, 0, 1, 0, 0], "smiles": "c1ccccc1Oc2c(NC(NC(c3ccccc3)=O)=S)ncc(Br)c2"}
+{"dataset": "n1", "route_id": "10", "node_path": [0, 0, 0, 0, 0, 1], "smiles": "C(CS)C(=O)OC"}
+{"dataset": "n1", "route_id": "11", "node_path": [0, 0, 0, 0, 0, 0], "smiles": "CC(C)(C)OC(=O)OC(=O)OC(C)(C)C"}
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diff --git a/releases/n1-n5-composites-inchi-v1/payload/stock/n1.smi b/releases/n1-n5-composites-inchi-v1/payload/stock/n1.smi
new file mode 100644
index 0000000000000000000000000000000000000000..9af3c848890ea7993ac514438f6e518df19db35e
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/stock/n1.smi
@@ -0,0 +1,13308 @@
+B1(c2cc(N)ccc2CO1)O
+B1(c2ccc(cc2CO1)O)O
+Br
+BrB(Br)Br
+BrBr
+BrC(Br)(Br)Br
+BrC(Br)Br
+BrC(Br)C
+BrC(Br)c1c(Cl)cc(c(-c2c(c(n(C)n2)OC(F)F)Cl)c1)Cl
+BrC(Br)c1ccc(cc1F)C(=O)O
+BrC1(Br)c2cccnc2NC1=O
+BrCBr
+BrCC#CC
+BrCC(=C)Br
+BrCC(=O)Br
+BrCC(=O)Cl
+BrCC(=O)N
+BrCC(=O)O
+BrCC(=O)OC
+BrCC(=O)c1c(c2c(cccc2)o1)C
+BrCC(C)=C
+BrCC(CCCC)CC
+BrCC(c1cccnc1)=O
+BrCCBr
+BrCCCBr
+BrCCCCBr
+BrCCCCCCBr
+BrCCCF
+BrCCCNC(=O)C
+BrCCF
+BrCCOCCBr
+BrCc1c(Br)cccn1
+BrCc1c([N+]([O-])=O)cccc1
+BrCc1c(cc(cc1)C(=O)OC)CBr
+BrCc1c2c(ccc1)cccn2
+BrCc1cccc(CBr)c1
+BrCc1cccc(CBr)n1
+BrCc1ccccc1OC
+BrP(Br)(Br)=O
+BrP(Br)Br
+BrS(Br)=O
+Br[Mg]c1ccc(Cl)c(F)c1
+Br[Mg]c1ccc(c(c1)OC)F
+Br[Mg]c1cccc(OC)c1
+Brc1[nH]cc(C(=O)OC)c1C
+Brc1[nH]cnc1
+Brc1c(Br)cc(cc1)C
+Brc1c(Br)csc1
+Brc1c(C)nccc1
+Brc1c(F)cccn1
+Brc1c(O)cccn1
+Brc1c(O)nc(C)nc1
+Brc1c(O)ncc(C)c1
+Brc1c(ccc2ccccc12)C
+Brc1c2c(O)nccc2sc1
+Brc1c2c(cccc2)ccc1
+Brc1cc(Br)c2c(cccc2)c1OC
+Brc1cc(C)c(cc1C)N
+Brc1cc(O)c(C(=O)OC)s1
+Brc1cc(c(C(=O)O)nc1)[N+](=O)[O-]
+Brc1cc(cc(Br)c1)CO
+Brc1cc(cc(Br)c1)OC
+Brc1cc(cc(Br)c1C=O)F
+Brc1cc(cc(Br)c1CCC(Nc2cc(ccc2C)C(=O)OC)=O)OC
+Brc1cc(cc(Br)c1O)C=O
+Brc1cc(cc(Br)n1)C
+Brc1cc2CNCCc2s1
+Brc1cc2c([nH]cc2[N+](=O)[O-])nc1
+Brc1cc2cc[nH]c2nc1
+Brc1ccc(C(=O)N)s1
+Brc1ccc(C(=O)O)s1
+Brc1cccc(Br)c1
+Brc1cccc(Br)c1C=O
+Brc1cccc(Br)c1CC
+Brc1cccc(Br)n1
+Brc1cccc2cccnc12
+Brc1ccccc1CC(N)=S
+Brc1ccccc1CC(O)=O
+Brc1cccn2c1nc(C)c2
+Brc1cccnc1
+Brc1cccnc1F
+Brc1cccnc1O
+Brc1cccnc1[N+](=O)[O-]
+Brc1ccco1
+Brc1cccs1
+Brc1ccnc(C(=O)O)c1
+Brc1ccnc(C)c1
+Brc1ccnc(c1)C(=O)OC
+Brc1ccsc1C(=O)OC
+Brc1cncc(Br)c1
+Brc1cncc(Br)n1
+Brc1n2c(nc1)nc(cc2)CO
+Brc1nc(c(Br)n1CC(=O)OC)Br
+Brc1nc(cc2ccccc12)Br
+Brc1ncc(c(C(=O)O)c1)F
+Brc1nccc(C)c1
+Brc1nccc(O)c1
+Brc1ncccc1[N+](=O)[O-]
+Brc1nccs1
+Brc1nnc(C)s1
+Brc1oc(cc1)C(=O)O
+Brc1sc(-c2nc(SC)ncc2)cc1
+Brc1sc(C(=O)OC)c(Br)n1
+Brc1sc(C=O)cc1
+Brc1sc(CC(OC)=O)cc1
+Brc1sc(c(C)n1)C(=O)N
+Brc1sc(c(C)n1)C(=O)O
+Brc1sc(cc1)-c2ccn(C)n2
+C#C
+C#CC
+C#CC(=O)N
+C#CC(=O)OC
+C#CC(N)CC(OCC)=O
+C#CC(O)(CSCC)C
+C#CC(OCC)=O
+C#CC1(CCN(C1=O)C)O
+C#CC1C(CO)C1
+C#CC1CCCNC1
+C#CC1CCNC1
+C#CCBr
+C#CCC(CCOC)(O)C
+C#CCC1(N)CCN(C1=O)C
+C#CCCCC
+C#CCCCCl
+C#CCCCN
+C#CCCCO
+C#CCCN
+C#CCCO
+C#CCN
+C#CCO
+C#CCOC
+C#C[Mg]Br
+C#Cc1c(N)c(ccn1)C(=O)OC
+C#Cc1cccc(n1)N
+C#Cc1ccccn1
+C#Cc1cccnc1
+C#Cc1ccnc(Br)c1
+C#Cc1n(C)cc(N2CCCC2=O)n1
+C(#C)CCCCCCCC#C
+C(#C)c1ccc(OC)cc1C
+C(#CC(O)=O)C(C)(CCOC)N
+C(#CC)C1N(C(C(=O)N)CC1)C(CCl)=O
+C(#CCCC(OC)=O)CCC(OC)=O
+C(#N)C(C#N)=C(N1CCC(CC1)CN2CCCCC2)SC
+C(#N)C(C#N)=C(OCC)C
+C(#N)CC#N
+C(#N)CC(Cc1c2ccccc2[nH]c1)N
+C(#N)c1[nH]c(CCC)nc1C(=O)CCC
+C(#N)c1c(-c2ccc(CC(C(OCC)=O)C(CCC)=O)s2)cccc1
+C(#N)c1c(C=2CCCCC=2)cccc1
+C(#N)c1c2c(c(cc1)N)cccc2
+C(#N)c1cc(CC(C)NCCOc2ccccc2OCC)cc3c1N(CC3)CCCO
+C(#N)c1ccc(c2c1cccc2)F
+C(#N)c1ccccc1-c2c(ccc([N+]([O-])=O)c2)F
+C(=C)C
+C(=C)C(C(=O)O)C
+C(=C)CC(=O)OC
+C(=C)CC(N)C(=O)O
+C(=C)CCBr
+C(=C)CCC=O
+C(=C)CCCBr
+C(=C)CCCCBr
+C(=C)CCCCO
+C(=C)CCCN
+C(=C)CCN
+C(=C)CCNC
+C(=C)CC[Mg]Br
+C(=C)CCc1ncsc1
+C(=C)CI
+C(=C)CN
+C(=C)CNC
+C(=C)CO
+C(=C)CS
+C(=C)C[Mg]Br
+C(=CC(=O)N(OC)C)c1ccc2cc[nH]c2c1
+C(=CC(=O)O)C
+C(=CCC=CCC=CCCC(=O)O)CC=CCC=CCC=CCC
+C(=O)(C(=O)c1c(cccc1)C)C
+C(=O)(C(C)=C)Cl
+C(=O)(C(C)=C)OC
+C(=O)(C(CCBr)Br)Cl
+C(=O)(C(Cl)C)Cl
+C(=O)(C(N)=S)C
+C(=O)(C)c1ccccn1
+C(=O)(C)c1oc2c(cccc2c1)OC
+C(=O)(C)n1ncc2cc(I)c(C)cc12
+C(=O)(C1COCC(C1)O)O
+C(=O)(C=C)Cl
+C(=O)(CBr)C
+C(=O)(CC(OC)=O)CCCC
+C(=O)(CCC(Cl)=O)C
+C(=O)(CF)Cl
+C(=O)(COC)Cl
+C(=O)(CSc1cccs1)C
+C(=O)(Cc1cc2c(cccc2)cc1)O
+C(=O)(Cl)CCCCCCCCC
+C(=O)(Cl)c1c(Cl)ccs1
+C(=O)(N(OC)C)C
+C(=O)(N)N1CCCc2cc(Br)cnc12
+C(=O)(N1CCn2c3C(N(C(=O)N(c3nc12)C)CCCCC(O)C)=O)C
+C(=O)(NCC#C)Nc1cc(NC(C)=O)c(cc1Cl)F
+C(=O)(NCCC(OC)=O)C1CCCNC1
+C(=O)(NN)Nc1ccccc1O
+C(=O)(O)C(C)CSC(=O)C
+C(=O)(O)C1NCCNC1
+C(=O)(O)C=Cc1cc(ccc1)O
+C(=O)(O)CC(=O)O
+C(=O)(O)CCCCBr
+C(=O)(OC)C#CC
+C(=O)(OC)C(C(=O)OC)(CC1CN(C(C1)=O)C(c2ccccc2)C)C
+C(=O)(OC)C(CBr)=C
+C(=O)(OC)Cl
+C(=O)(OC)c1ccc(C#N)cc1C
+C(=O)(OC1OCC(C(OC(C)=O)C1OC(C)=O)OC(=O)C)C
+C(=O)(OCC)C(C(=O)OCC)CCC=C
+C(=O)(c1c(C)cccc1F)O
+C(=O)(c1c2CCCc2c(C(O)C)s1)OC
+C(=O)(c1c2ccc(OC)cc2[nH]n1)O
+C(=O)(c1c2n(c(Br)n1)cccc2)O
+C(=O)(c1cc(-c2cc(C)c(Cl)cc2)n[nH]1)OC
+C(=O)(c1cc(CO)cc(c1)C)c2nc(OC)nc(OC)c2CC
+C(=O)(c1cc(Nc2nc(nc3c2occ3)Cl)n[nH]1)OC
+C(=O)(c1cc(cc2c1n[nH]c2)-c3cccnc3Cl)OC
+C(=O)(c1cc2c(cn(C)c2cc1)Cc3ccc(C(=O)OC)cc3OC)OC
+C(=O)(c1cccc2ccc(O)cc12)OC
+C(=O)(c1ccccc1Nc2c(Cl)c(C)ccc2Cl)O
+C(=O)(c1ccccc1Nc2cccc(C)c2C)O
+C(=O)(c1ccccc1Nc2cccc(c2)Br)O
+C(=O)(c1ccccc1OC)C=O
+C(=O)(c1ccncc1NC(c2sc(cc2)Cl)=O)OC
+C(=O)(c1cnc(C)cc1)O
+C(=O)(c1cnc(O)cc1)O
+C(=O)(c1cnc(cc1)-c2cnco2)O
+C(=O)(c1cnc(cc1)C(=O)OC)O
+C(=O)(c1cnc(cc1)Cl)O
+C(=O)(c1cnc(cc1)N)O
+C(=O)=NC
+C(=O)=NCC
+C(=O)=NCCBr
+C(=O)=NCCC
+C(=O)=NCCCC
+C(=O)=NCCCCl
+C(=O)=NCCCl
+C(=O)=Nc1ccc2ccccc2c1
+C(=O)=Nc1cccnc1
+C(=O)C
+C(=O)C(C)NC
+C(=O)C(C=O)[N+]([O-])=O
+C(=O)C(Cl)COC
+C(=O)c1cc2ccccc2nc1Cl
+C(=O)c1ccccc1-c2cscc2C
+C(=S)=Nc1c(Cl)cccc1
+C(Br)(C(=O)c1ccc(OC)cc1Cl)C
+C(Br)C(C(=O)N)Br
+C(Br)C(C(O)=O)=O
+C(Br)C(c1ccccn1)=O
+C(Br)C=CC
+C(Br)C=CC(=O)Cl
+C(Br)CCCCBr
+C(Br)CCCCCC
+C(Br)CCCCCC#N
+C(Br)CCCCCCC
+C(Br)CCCCCCC(OC)=O
+C(Br)CCCCCCCCCCCCC
+C(Br)CCCCCCCCCCCO
+C(Br)CCCCCCCCCCCc1cccc2c1C(NC2=O)=O
+C(Br)CCCCCCl
+C(Br)CSc1cc(ccc1F)F
+C(Br)Cl
+C(Br)c1c(Cl)cccc1
+C(Br)c1c(c(ccc1)C#N)CBr
+C(Br)c1cc(C)c(cc1)C
+C(Br)c1cc(ccc1F)F
+C(Br)c1cc2nonc2cc1
+C(Br)c1cccc(C)c1F
+C(Br)c1cccc(Cl)c1Cl
+C(Br)c1cccc(Cl)c1F
+C(Br)c1ncccc1
+C(C#C)CC(Cl)=O
+C(C#C)CCCC
+C(C#C)CCCCl
+C(C#C)CCCO
+C(C#C)N1CC(CC1=O)O
+C(C#N)CCBr
+C(C#N)CCCl
+C(C#N)c1c2c(ccc(OC)c2)nc(Cl)c1
+C(C#N)c1ccc([N+]([O-])=O)c(F)c1C
+C(C(=C)CC(=O)OC)(=O)OC
+C(C(=O)Br)(C)Br
+C(C(=O)C)(C)Br
+C(C(=O)C)(c1cccnc1)=NO
+C(C(=O)C)CCCl
+C(C(=O)C)Cl
+C(C(=O)CC(OC)=O)Cl
+C(C(=O)CC(OCC)=O)Cl
+C(C(=O)Cl)(C)Br
+C(C(=O)Cl)CBr
+C(C(=O)Cl)CC(C)Br
+C(C(=O)Cl)CCBr
+C(C(=O)Cl)CCCl
+C(C(=O)Cl)Cl
+C(C(=O)N(OC)C)CCCC
+C(C(=O)O)(C(OC)C)Br
+C(C(=O)O)(C)Br
+C(C(=O)O)(c1cccc2OCOc12)CCCCC
+C(C(=O)O)C(C(O)=O)=C
+C(C(=O)O)CC1NC(c2[nH]c3c(cc(OC)cc3)c2C1)=O
+C(C(=O)O)CC=O
+C(C(=O)O)CCN
+C(C(=O)O)CS
+C(C(=O)O)Cl
+C(C(=O)O)N1C(=S)SCC1=O
+C(C(=O)O)c1c(F)cccc1Cl
+C(C(=O)O)c1n[nH]c2c1cccn2
+C(C(=O)O)n1cnc(C)c1CN=[N+]=[N-]
+C(C(=O)OC(CCl)=O)Cl
+C(C(=O)OC)(C)Br
+C(C(=O)OC)(N)CO
+C(C(=O)OC)CCBr
+C(C(=O)OC)CCC=O
+C(C(=O)OC)CC[N+](=O)[O-]
+C(C(=O)OCC)C(=O)c1cc(c(OC)cc1)OC
+C(C(=O)c1c(ccc(Cl)c1)O)CC(=O)O
+C(C(C(C)=O)NC(c1cnc(cc1)Cl)=O)C(OC)=O
+C(C(C)CCCC(C1CCC2C3C(C4(C(CC(CC4)O)=CC3)C)CCC12C)C)O
+C(C(Cl)=O)(Cl)=O
+C(C(Cl)=O)c1c(F)cccc1Cl
+C(C(N)c1ccc(nc1)OC)O
+C(C(N1CCCc2c(Br)cccc12)=O)CC(OC)=O
+C(C(O)=O)(C)=O
+C(C(O)C(C=O)O)(O)C(CO)O
+C(C(O)C(O)C(CO)O)=O
+C(C(OC(C)=O)C)CCCCl
+C(C(OC)=O)(=O)c1c2ccccc2[nH]c1
+C(C(OC)=O)(C(C)=O)CCCCC
+C(C(OC)=O)C(=O)C
+C(C(OC)=O)C1CNCCC1CCC(O)c2c(cnc3ccc(OC)cc23)F
+C(C(OCC)=O)(C)Br
+C(C(OCC)=O)(c1cccnc1)=NO
+C(C(OCC)=O)=C1CCCC(C)C1
+C(C(OCC)=O)C1n2c(cc(I)c2)C(NC1)=O
+C(C(OCC)=O)S(CCNC(OCC)=O)=O
+C(C(c1c(cccc1)F)=O)C(OCC)=O
+C(C(c1c2cc(ccc2[nH]c1)Br)=O)CC(OC)=O
+C(C(c1cc(C)c(F)cc1)=O)CC(=O)O
+C(C(c1cc(Cl)ccc1)N)O
+C(C(c1ccc(C)cc1O)=O)CC(=O)O
+C(C(c1ccc(c([N+]([O-])=O)c1)OC)=O)CC(=O)O
+C(C(c1cccs1)=O)CCCl
+C(C)(=O)CC(O)C(O)CO
+C(C)(=O)c1c(cccc1)[N+]([O-])=O
+C(C)C(CC)(C#CCO)O
+C(C)C(CC)(C(=O)O)C
+C(C)C(CC)(C)O
+C(C)C(CC)(c1ccc2c(sc(C(OCC)=O)c2)c1)O
+C(C)C(CC)(c1sc2ccc(OC)cc2c1)c3ccc(c(C)c3)O
+C(C)C(CC)=O
+C(C)C(CC)CBr
+C(C)C(CC)CC(C)O
+C(C)C(CC)CN
+C(C)C(CC)Nc1c(nc(c(n1)CC)Br)CC
+C(C)C(CC)c1c2c(NC(=O)N2CCCC(OCC)=O)c(Cl)cc1
+C(C)C(CC)c1c2n(nc(C)c1)c(-c3sccc3C)c(n2)C
+C(C)C(CCCC)COc1cc([N+](=O)[O-])c(OCC(CC)CCCC)cc1C=O
+C(C)CC(CC(=O)C)=O
+C(C)CC(CCC)(CO)CO
+C(C)CC(CCC)=O
+C(C)CCCBr
+C(C)CCCCC1(c2c(-c3c1cccc3)cccc2)CCCCCC
+C(C)CC[Sn](CCCC)(CCCC)C=C
+C(C)CC[Sn](CCCC)(CCCC)c1cccnc1
+C(C)CC[Sn](CCCC)(CCCC)c1ccco1
+C(C)CC[Sn](CCCC)(CCCC)c1ccns1
+C(C)CC[Sn](CCCC)(CCCC)c1nccn1C
+C(C)CN(CCC)C(CCl)=O
+C(C)N(CC)C(=O)c1c(c2c(cc1)cccc2)OC
+C(C)N(CC)C(=O)c1cccc(C)c1C
+C(C)N(CC)C(=O)c1sc(C(=O)OC)cc1
+C(C)N(CC)C(c1cc([N+](=O)[O-])c(NCC=C)nc1)=O
+C(C)N(CC)C(c1ccc(cc1)Cc2ccccc2OC)=O
+C(C)N(CC)C(c1cnc(nc1)C2(CCN(CC2)CC(CCC)C)c3cc(ccc3)C(=O)O)=O
+C(C)N(CC)CC
+C(C)N(CC)CC#CCCCO
+C(C)N(CC)CCCN
+C(C)N(CC)CCCc1cc2cc(C(=O)OCC)[nH]c2cc1
+C(C)N(CC)CCCl
+C(C)N(CC)CCN
+C(C)N(CC)c1ccc(cc1)I
+C(C)NCC
+C(C)OC(=O)C(C(=O)OCC)Br
+C(C)OC(=O)C(C(=O)OCC)C(=O)C(C)(C)c1cccc(O)c1F
+C(C)OC(=O)C(C(=O)OCC)c1ccc([N+]([O-])=O)cn1
+C(C)OC(=O)C(C(OCC)=O)=CNc1c(Cl)nc(cc1)C
+C(C)OC(=O)CC(=O)OCC
+C(C)OC(=O)N1CCCC(CC1)=O
+C(C)OC(=O)c1c(C)ccc(OC)c1
+C(C)OC(=O)c1c(c(sc1N)C)C
+C(C)OC(=O)c1c2ccc(C#N)cc2[nH]c1N
+C(C)OC(=O)c1cc(C)c(cc1)Br
+C(C)OC(=O)c1cc(c(cc1)O)OC
+C(C)OC(=O)c1cc2c(cc1)cccc2[N+]([O-])=O
+C(C)OC(=O)c1cc2cccc3c2n1CC3
+C(C)OC(=O)c1ccc(F)c(N)c1
+C(C)OC(=O)c1cccc(-n2c(SCOC)ncc2)c1
+C(C)OC(=O)c1cccc(N)c1
+C(C)OC(=O)c1cccc(OC)c1
+C(C)OC(=O)c1cccc(S)c1
+C(C)OC(=O)c1cccc(c1)I
+C(C)OC(=O)c1cccc(c1)O
+C(C)OC(=O)c1ccnc2ccc(OC)cc12
+C(C)OC(=O)c1cnc(cc1)Cl
+C(C)OC(C(Br)CCCCCCCCCCCC)=O
+C(C)OC(C=1C(=O)c2c(nc3c(c2)cc(F)c(Cl)c3)N(C)C=1)=O
+C(C)OC(C=1C(=O)c2cc(I)cc3OCCN(C=1)c23)=O
+C(C)OC(C=1C(O)=C(C(=O)N(C=1C)C)C)=O
+C(C)OC(C=1Oc2c(cc(cc2Br)OC)C(C=1)=O)=O
+C(C)OC(N1CCc2c(c([N+]([O-])=O)ccc2CC1)Cl)=O
+C(C)OC(N1CCc2c(ccs2)CC1)=O
+C(C)OC(OCC)C(N)=N
+C(C)OC(OCC)C(N)C
+C(C)OC(OCC)CCCn1c2c3ccccc3ncc2nc1CCC
+C(C)OC(OCC)CN1c2ccccc2C(NC(Nc3cccc(c3)OC)=O)(CC(=O)O)C1=O
+C(C)OC(OCC)COCCCCOc1c(cc(cc1CC)OCC=C(Cl)Cl)CC
+C(C)OC(c1c(Cl)cccc1OC)=O
+C(C)OC(c1c(Cl)nc(Cl)nc1)=O
+C(C)OC(c1c(O)c(c(N)c(c1)C#N)C)=O
+C(C)OC(c1c(O)c2nc(C)ccc2nc1)=O
+C(C)OC(c1c([nH]c(-c2cc(Cl)ncc2)c1)N)=O
+C(C)OC(c1c(noc1)CC)=O
+C(C)OC(c1c[nH]c2c(ncnc12)Cl)=O
+C(C)OC(c1c[nH]cc1C)=O
+C(C)OC(c1cc(ccc1O)O)=O
+C(C)OC(c1cc(cnc1)Br)=O
+C(C)OC(c1cc(sc1N)CC)=O
+C(C)OC(c1cc2c(O)c(C#N)cnn2c1)=O
+C(C)OC(c1cc2c([N+]([O-])=O)cccc2[nH]1)=O
+C(C)OC(c1cc2c(ccc(N)c2)[nH]1)=O
+C(C)OC(c1cc2c(ccc([N+]([O-])=O)c2)[nH]1)=O
+C(C)OC(c1cc2c(ccc([N+]([O-])=O)c2)nc1O)=O
+C(C)OC(c1cc2c(cccc2O)[nH]1)=O
+C(C)OC(c1cc2c(cccc2[nH]1)OCc3cocc3)=O
+C(C)OC(c1cc2cc(OC)ccc2[nH]1)=O
+C(C)OC(c1cc2cc(cc(Br)c2[nH]1)F)=O
+C(C)OC(c1cc2cccc([N+]([O-])=O)c2[nH]1)=O
+C(C)OC(c1ccc(c(C)c1F)F)=O
+C(C)OC(c1ccc(c(O)c1[N+]([O-])=O)O)=O
+C(C)OC(c1cnc2c(CC(=O)CC2)c1O)=O
+C(C)OC(c1cnc2c(c1)ccnc2)=O
+C(C)OC(c1cnn(C)c1C(=O)O)=O
+C(C)OC(c1n(cc(C)c1)CC)=O
+C(C)OC(c1nc(CC)cc(Br)c1)=O
+C(C)OC(c1nc2n(nc(cc2)Cl)c1)=O
+C(C)OC(c1ncc(CC)[nH]1)=O
+C(C)OC(c1nn2cccc(c2c1)C(=O)O)=O
+C(C)OC(c1nnc(cc1Cl)Cl)=O
+C(C)OP(OCC)(=O)CC=CC(OCC)=O
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+C(c1c(O)c(cc2CCC(C)(Oc12)CCC(=O)O)C(=O)C)CC
+C(c1c(O)c(ccc1O)C(=O)C)CC
+C(c1c(c(O)ccc1OCCCCCCCC)C#N)#N
+C(c1c(cc(cc1)F)C(=O)OCC)Br
+C(c1c(cc(cc1)OC)OC)(Cl)=O
+C(c1c(ccc(c1)C(=O)C)O)(=O)OC
+C(c1c(ccc(c1O)C(=O)C)OCCCBr)CC
+C(c1c(ccc(c1O)C(=O)C)OCCCCCBr)CC
+C(c1c(ccc2c1OC(C(=O)OCC)=CC2=O)O)CC
+C(c1c(ccc2c1OC(CCC(OCC)=O)CC2)OCCCCl)CC
+C(c1c(cccc1)Cl)#C
+C(c1c(cccc1)OC)C(O)=O
+C(c1c(cccc1O)C(=O)OCC)C=C
+C(c1c(nc(OC)cn1)OC)=O
+C(c1c2c(C(CCO2)=O)ccc1O)CC
+C(c1c2ccccc2nc(C)c1)Cl
+C(c1c2ccccc2nc(CCN)n1)(O)=O
+C(c1c2ncccn2nc1)(Cl)=O
+C(c1c[nH]c2c1ccc(O)c2)CC
+C(c1cc(C)c(cc1)Br)(=O)O
+C(c1cc(C)c(cc1)O)(=O)O
+C(c1cc(C)ccc1)C(=O)O
+C(c1cc(C)ccc1C)C(Cl)=O
+C(c1cc(Cl)ccc1)C(=O)O
+C(c1cc(I)ccc1)Br
+C(c1cc(I)ccc1)C#N
+C(c1cc(N)ccc1)(=O)c2cc3NC(Cc3cc2)=O
+C(c1cc(OC)c(Cl)cc1)C(=O)O
+C(c1cc(c(F)cc1)OC)C(=O)O
+C(c1cc(c(N)cc1)OC)C(=O)O
+C(c1cc(c(cc1)O)C(=O)C)(=O)O
+C(c1cc(c(cc1)O)OC)C(=O)O
+C(c1cc(c(cc1)O)OC)C(OC)C(OC)=O
+C(c1cc(c(cc1)OC)O)C(=O)O
+C(c1cc(c2c(cccc2)n1)Cl)O
+C(c1cc(cc(CC)c1-c2cc(C=O)ccc2)O)C
+C(c1cc(cc(c1O)Br)Br)Br
+C(c1cc(ccc1)Br)C(=O)O
+C(c1cc(ccc1)C#N)OCCBr
+C(c1cc(ccc1)O)C(=O)O
+C(c1cc(ccc1)O)NC(c2ccc(c(Cl)c2)C(=O)O)=O
+C(c1cc(ccc1)OC)N
+C(c1cc(ccc1)OCCCCC#N)C(=O)O
+C(c1cc(ccc1C)F)C#N
+C(c1cc(ccc1[N+]([O-])=O)C(=O)OC)Br
+C(c1cc2c(OCO2)cc1)O
+C(c1cc2c([N+]([O-])=O)cccc2[nH]1)(=O)OC
+C(c1cc2c(c(cc(C)c2)[N+]([O-])=O)[nH]1)(=O)OC
+C(c1cc2c(cc1)cc[nH]2)(=O)O
+C(c1cc2ccccc2n1C)C(=O)OCC
+C(c1ccc(Br)c(Cl)c1)(=O)O
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+C(c1ccc(C(C)OCOC)cn1)CO
+C(c1ccc(C)c(I)c1)(=O)O
+C(c1ccc(C)c(c1)F)C(=O)O
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+C(c1ccc(C)nc1)N
+C(c1ccc(C)nc1NN)(=O)OC
+C(c1ccc(Cl)c(N2C(=O)NN=N2)c1Cl)(=O)OC
+C(c1ccc(Cl)c(c1)C(=O)O)N
+C(c1ccc(F)c(Br)c1)C(=O)O
+C(c1ccc(F)c(F)c1)Br
+C(c1ccc(N2C=CNC2=S)c3ccccc13)#N
+C(c1ccc(NC(C)=O)cc1O)(=O)OC
+C(c1ccc(O)c(c1)C(=O)O)N
+C(c1ccc(O)c(c1)F)C(=O)O
+C(c1ccc(OC)c(Br)c1)C(=O)O
+C(c1ccc([N+]([O-])=O)cc1Br)(=O)OC
+C(c1ccc(c(Cl)c1)Cl)Br
+C(c1ccc(c(Cl)c1)O)C(=O)O
+C(c1ccc(c(OC)c1C(=O)OC)Br)Br
+C(c1ccc(c([N+]([O-])=O)c1)O)(=O)O
+C(c1ccc(c(c1)O)F)(=O)O
+C(c1ccc(cc1C)O)CC(OC)=O
+C(c1ccc(cc1O)O)(=O)OC
+C(c1ccc(cc1OC)OC)N2c3c(cc(F)c(n3)Cl)C(=O)C(C(=O)OCC)=C2
+C(c1ccc(nc1)Cl)N
+C(c1ccc(nc1Cl)Cl)C(Nc2c(C(OC)=O)nccn2)=O
+C(c1ccc2c(noc2c1)N)N
+C(c1ccc2cc(OC)ccc2c1)O
+C(c1ccc2cc[nH]c2c1)C(=O)O
+C(c1ccc2ncccc2c1)(=O)O
+C(c1cccc(-c2c3c(sc2)cnc(Cl)n3)c1)(=O)O
+C(c1cccc(-c2occc2)c1)(=O)O
+C(c1cccc(C)c1)(=O)O
+C(c1cccc(CP(OCC)(=O)C)c1)Br
+C(c1cccc(F)c1)Br
+C(c1cccc(F)c1)C#N
+C(c1cccc(F)c1)N
+C(c1cccc(N)c1)C(=O)O
+C(c1cccc(S)c1)(=O)O
+C(c1cccc([N+]([O-])=O)c1)N
+C(c1cccc([N+]([O-])=O)c1C)(=O)OC
+C(c1cccc([N+]([O-])=O)c1O)(=O)OC
+C(c1cccc(c1)CCl)(=O)O
+C(c1cccc(c1)F)(=O)O
+C(c1cccc(c1)I)(=O)O
+C(c1cccc(c1)OCCc2ncccc2)(=O)O
+C(c1cccc(c1C(=O)OCC)[N+]([O-])=O)Br
+C(c1ccccc1Br)C(Cl)=O
+C(c1ccccc1CN=[N+]=[N-])C(=O)O
+C(c1ccccc1F)C(OC)=O
+C(c1ccccc1OC(=O)C)(Cl)=O
+C(c1ccccn1)(Cl)=O
+C(c1cccnc1)(=O)Cl
+C(c1cccnc1NC(CC(=O)C)=O)(=O)OC
+C(c1ccco1)(=O)Cl
+C(c1cccs1)(=NO)C#N
+C(c1cccs1)(=O)Cl
+C(c1cnc(C)cn1)N
+C(c1cnc2c(cccc2c1Cl)OC)(CCC)=O
+C(c1cncc(c1)Br)C(=O)O
+C(c1cnccc1)NC(NCCC#C)=O
+C(c1n(ccn1)CC)(CN)=O
+C(c1nc(O)ccc1)N
+C(c1nc2cnc3c(ccc(c3)Br)c2n1N)CC
+C(c1ncccc1)CC
+C(c1ncccc1)CO
+C(c1ncccc1)N
+C(c1sc(-c2nc(SC)ncc2)cc1)(=O)O
+C(c1sc(cc1)Cl)(=O)O
+C(n1c2ccccc2cc1C(=O)O)CCCl
+C(n1cnc(c1)[N+](=O)[O-])C#N
+C(n1ncc(c1)C(=O)OCC)CCl
+C1(=C(C(=O)OCC)C(=O)N(c2ccc(cc12)F)C)O
+C1(=C(C(=O)OCC)C(N(c2ccc(cc12)C)CCCCCC)=O)O
+C1(=CC(Oc2cc(ccc12)O)=O)CC(=O)O
+C1(=O)C(=C(C(=O)NN1)Cl)Cl
+C1(=O)CC(C)(C)CC(=O)C1
+C1(=O)CC2C(CCc3c2cccc3OC)N1
+C1(=O)COC(=O)N1
+C1(=O)COc2c(N1)nc(cc2)C=O
+C1(=O)N2C(=C(CSc3n(C)nnn3)CSC2C1N)C(=O)O
+C1(=O)N2C(C(=O)O)=C(C(Sc3nnn[nH]3)CC(=O)O)CSC2C1N
+C1(=O)N2C(C(=O)O)=C(CSC2C1N)COC(=O)N
+C1(=O)N2C(C(=O)O)=C(CSC2C1N)COC(CC(=O)C)=O
+C1(=O)NC(C=C(C)N1)=O
+C1(=O)Nc2ccccc2OC1
+C1(=O)OC(C(C2Cc3ccccc3C=C2)C1)=O
+C1(=O)OC(c2c1ccc(Br)c2)=O
+C1(=O)c2c(C(=O)N1CC(Cc3ccc(cc3)F)N)cccc2
+C1(=O)c2c(C(=O)N1CC(Cc3cccc(c3)F)N)cccc2
+C1(=O)c2ccc3OCCc3c2NC1=O
+C1(=O)c2cccc(F)c2NC1=O
+C1(=O)c2ccccc2C(=O)C1(O)O
+C1(=O)c2ccccc2C(=O)N1CCBr
+C1(=O)c2ccccc2C(=O)N1CCCN3C(C(O)(c4ccccc34)c5cc6OCOc6cc5O)=O
+C1(=O)c2ccccc2C(=O)N1OC3CCNCC3
+C1(=O)c2ccccc2C(=O)N1OCCO
+C1(=O)c2ccccc2C(=O)N1c3cc(Br)n[nH]3
+C1(=O)c2ccccc2C(=O)N1c3cc(CC)n[nH]3
+C1(C(=C(C(=O)OCC)C=CN1Cc2ccc(cc2OC)OC)N)=O
+C1(C(=CN(C2OC(C(O)C2)CO)C(N1)=O)I)=O
+C1(C(C(OC)=O)C2CC1CC2)N
+C1(C(C)=C(C(=O)O1)C)=O
+C1(C(C2SCC(=C(C(=O)O)N12)COC)N)=O
+C1(C(CNC1)O)O
+C1(C(Cc2c(N1)cccc2)N)=O
+C1(C(N)CCC(=O)N1)=O
+C1(C(N)Cc2c(c(N)ccc2)N1)=O
+C1(C(N)Cc2c(c(cc(Br)c2)[N+]([O-])=O)N1)=O
+C1(C(Nc2c(c(Cl)c(cc2N1)[N+]([O-])=O)C#N)=O)=O
+C1(C(O)C(C(O1)n2ccc3c(ncnc23)Cl)(O)C#C)CO
+C1(C)(CC)NC(C(C)C(=O)C1)(C)CC
+C1(C)=C(C)C(Oc2c(C)c(ccc12)O)=O
+C1(C)C(CCOC1)=O
+C1(C)CCCC(C)N1
+C1(C)CN(CC(C)O1)Cc2cnc(N)c(C#N)c2
+C1(C)CNCC(C)N1
+C1(C=2CCCC=2C(=O)O1)=O
+C1(C=CON1)=O
+C1(C=O)=Cc2c(cccc2)N(C)C1=O
+C1(CC(=C)O1)=O
+C1(CC(=O)OCC)CCCc2c1cnn2-c3cc(c(cc3)Cl)Cl
+C1(CC(C(C(=O)C)=C(O)C1)=O)C2CSCCC2
+C1(CC(C(C=O)C1CCCc2sc(C(=O)OC)cc2)OC3OCCCC3)Cl
+C1(CC(C=C1)CO)Nc2ncnc(Cl)c2N
+C1(CC(CC(=O)C1)c2ccc(cc2)Cl)=O
+C1(CC(OC)=O)C(=O)N(Cc2cc(OC)ccc2C1)C
+C1(CCC(C(O)=O)N1C(CCl)=O)C#C
+C1(CCC(C1)=O)C(=O)O
+C1(CCC(NC1)C)CO
+C1(CCC=C1)CC(=O)O
+C1(CCCNC1)C(=O)N
+C1(CCCNC1)C(=O)O
+C1(CCCNC1)Cc2c[nH]c3c2ccc(c3)F
+C1(CCCc2c1nccc2)N
+C1(CCNC1)(O)C
+C1(CCNC1)C(=O)N
+C1(CCNC1)F
+C1(CCOC1)C(=O)O
+C1(CCOC1)C(N)=S
+C1(CCOC1)Oc2c(c(ccc2)O)C(=O)OC
+C1(CCc2c1c3c(OCC3)nc2)O
+C1(CCc2ccc3c(c2O1)cccc3)C(=O)O
+C1(CNc2ccccc12)CO
+C1(CO1)c2cc([N+]([O-])=O)ccc2
+C1(COCC(C)N1)C
+C1(CSC(N1CC(=O)O)=O)=O
+C1(Cc2ccccc2N1)=O
+C1(N(C=Cc2c1cccc2[N+]([O-])=O)C(CO)C(OC)=O)=O
+C1(N(c2nc(SC)ncc2C=C1c3c(C)ccc(c3)C(=O)OC)C)=O
+C1(N)C2CC(CC2)C1C(=O)OCC
+C1(N2CCCC2c3c(C(=O)OCC)ncn3-c4ccccc14)=O
+C1(N2c3cc(c(F)cc3Oc4c(ccc(c4)F)C2C(NC(OC)=O)CC1)Br)=O
+C1(NC(=O)N(C(Br)=C1C)C)=O
+C1(NC(C(=CN1)C(OCC)=O)=O)=S
+C1(NC(C(OC)=CN1)=O)=S
+C1(NC(NC(=O)C1)=O)=O
+C1(NC)CCc2ccc(OC)cc2C1
+C1(NC=C(C(N1)=O)I)=O
+C1(NC=C(Cc2cnn(C)c2)C(N1)=O)=S
+C1(NC=C(c2ccc(nc2F)C)C(N1)=O)=O
+C1(NCCC1O)=O
+C1(NCCCC1CO)=O
+C1(NCCc2c1ccc(c2)O)=O
+C1(NN(C(N)=C1)C)=O
+C1(Nc2c(NC1=O)cc(N)c(c2)Cl)=O
+C1(Nc2c(OC1)ccc(C(=O)O)c2)=O
+C1(Nc2c(OC1)ccc(c2)C(CC(=O)C)=O)=O
+C1(O)=CC(=O)N(c2ccc(OC)cc12)C
+C1(OC(C(=C1)C)=O)=O
+C1(OC)CCC(OC)O1
+C1(OCCC1F)=O
+C1(Oc2c(c(c(OCOC)c(F)c2F)I)CC1)CCCCC
+C1(SCC(SC1)O)O
+C1([N+](=O)[O-])C(c2cc(c(O)cc2)OC)CC=CC1
+C1(c2c(C(=O)N1CC3CC(C3)n4cc(-c5cccc(OCc6ccccc6)c5)c7c(ncnc47)N)cccc2)=O
+C1(c2c(C(=O)N1CCCC#C)cccc2)=O
+C1(c2c(C(=O)N1CCS(=O)(=O)NC(C)C)cccc2)=O
+C1(c2c(C(=O)N1Cc3c4c(c(C=C)cc3)cccc4)cccc2)=O
+C1(c2c(c(C)cs2)C)CO1
+C1(c2c(cc(c(OC)c2)OC)C=CN1CC)=O
+C1(c2c(cccc2)F)(NC(COCC1F)=N)C
+C1(c2cc(C)ccc2Oc3ncccc13)=O
+C1(c2cc(ccc2C=Cc3ncc(Cl)cc13)C=C)=O
+C1(c2cc3c(cc2)OCO3)NCCc4c5ccccc5[nH]c14
+C1(c2ccc(cc2OC1)O)=O
+C1(c2ccccc2C(=O)N1C(=O)OCC)=O
+C1(c2ccccc2C(=O)N1CCC(C)=O)=O
+C1(c2ccccc2C(=O)N1CCCOc3ccc(cc3)NC(=O)C)=O
+C1(c2ccccc2C=Cc3cccnc13)=O
+C1(c2n(c3ccccc3c2)CC1)NO
+C1(c2ncccc2)NCCC1
+C12(C(CCC1C3CCc4cc(ccc4C3C(OC)C2)O)=O)C
+C12(C)C3C(C4CCC(O)C4(CC3)C)CCC1=CC(=O)CC2
+C12=C(NC(NC1=O)=S)CCC2
+C12C(=O)N(C(C(CC1)N2C)=O)Cc3ccccc3
+C12C(C(C(=O)O)CC1)(CC(O)C3C4(C)C(CCC23)=CC(=O)CC4)C
+C12C(C3(CCC(CC3CC1O)OCCO)C)CC(O)C4(C)C2CCC4C(C)CCC(OC)=O
+C12C(CCCC1)CC(CC2)=O
+C12C(c3c(NC1=O)cccc3)CCC2
+C12C(c3c(cc(CCO)cc3)NC1=O)CCC2
+C12C3CN(C1)CC23C#N
+C12CC(=CC(CC1)N2CCO)c3cc4c(cccc4)cc3
+C12CC(CN1C)NC2
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(ccc(B(O)O)c4)Cl
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5c(ccc4Cl)nc(cc5)Cl
+C12CC3(CC(C1)CC(C3)C2)CNC(c4c(Cl)ccc(NCCCl)c4)=O
+C12CC3(CC(C1)CC(C3)C2)COC(NC(CNC(=O)c4ccc(s4)CCC(=O)OC)C(=O)OC(C)(C)C)=O
+C12CC3(CC(CC(C1)(N)C3)C2)C(OC)=O
+C12CC3CC(C1)CC(C2)(C3)C(=O)O
+C12CC3CC(C1)CC(C2)(C3)CNC(c4c(Cl)cnc(Br)c4)=O
+C12CC3CC(C1)CC(C2)(C3)N=C=O
+C12CCC(Cc3c(C1)ccc(c3)O)C2=O
+C12CCC(N1CCNC2)=O
+C12CCCCC1NC(C(O)=O)C2
+C12CN(CC(CC1)C2=O)Cc3ccccc3
+C12N(CC(CO)NC1)CCOC2
+C12c3ccccc3Cc4ccccc4N1CCNC2
+C1=2N3C(N(C(=O)N3C)CCO)N=C1N(C=NC=2c4occc4)N
+C1=C(C(C=C(C)O1)=O)O
+C1=C(C(C=C(CO)O1)=O)O
+C1=C(C(C=C(O1)CN=[N+]=[N-])=O)O
+C1=C(C(C=CO1)=O)O
+C1=C(Cl)NC(n2c1ncc2)=O
+C1=CC(=C(C#N)C(N1CCCC)=O)O
+C1=CC(Br)=CC(N1CC(C(=O)OC)C)=O
+C1=CC2C=CC1C2
+C1=CC=C(Br)C(N1CCC)=O
+C1=CC=C(c2c(c(F)c(cc2)OCC)F)[Se]1
+C1=CCC=CC1(CCO)c2ccccc2
+C1=CNC(C(=O)N1CC)=O
+C1=Cc2ccc(F)c(F)c2OC1
+C1=Cc2ccc(cc2OC1)F
+C1C(=C)CC(C(=O)O)C1N
+C1C(=NN(C)C1=O)C(=O)OC
+C1C(=O)C(C(CC1)=O)C
+C1C(=O)Cc2c(ccc([N+]([O-])=O)c2)CC1
+C1C(=O)NC(CC12CCN(CC2)Cc3ccccc3)=O
+C1C(Br)C(CCN1C(=O)C)=O
+C1C(C(=O)O)=NNC1=O
+C1C(C(OC)=O)C1C(Cl)=O
+C1C(C)C(CCN1C(=O)OC)N
+C1C(C)N(C(CN1)C)Cc2ccccc2
+C1C(C)OC(CN1CCN)C
+C1C(C)OC(CN1c2c(cc(c(F)c2F)Br)C=O)C
+C1C(CC(OC(C)=O)C1)c2cccnc2
+C1C(CC1(c2ncccc2)C#N)O
+C1C(CC1)(C(=O)OC)c2ccc(cc2)N
+C1C(CC1)(C(N)CC(OC)=O)C
+C1C(CC1)(CC#N)COCc2ccccc2
+C1C(CC1)Br
+C1C(CC1)C(Cl)=O
+C1C(CC1)C(O)=O
+C1C(CC1)C2(C(CNCc3ccccc23)O)O
+C1C(CC1)CBr
+C1C(CC1)N2CCc3cc(CN)ccc3CC2
+C1C(CC1)N2Cc3c(C2=O)c(N)c4cccc(Br)c4n3
+C1C(CC1)[Zn+]
+C1C(CC1)c2cc(c(cc2C(OC)=O)C(O)=O)CC
+C1C(CC1=O)C(=O)O
+C1C(CC1C#N)CSCCC
+C1C(CC1C(=O)O)(C)C
+C1C(CC1C(OC)=O)N=[N+]=[N-]
+C1C(CC1CC#N)C(OC)=O
+C1C(CC1CO)O
+C1C(CC1O)C(=O)OCc2ccccc2
+C1C(CC1OC(C)=O)(c2ccc(cc2)O)CC(OCC)=O
+C1C(CC1c2n3ccnc(Cl)c3cn2)(O)CO
+C1C(CC1n2c3ncnc(c3c(I)c2)N)CO
+C1C(CCCC1c2c3cc([N+]([O-])=O)ccc3[nH]c2)NCC
+C1C(CCCN1C(=O)O)Cn2nnc3c2nc(-c4cnn(C)c4)cn3
+C1C(CCN1C)NC
+C1C(CCN1c2c(cccn2)C(=O)OC)F
+C1C(CN)CNCC1
+C1C(CN1)(F)F
+C1C(CN1)C(O)=O
+C1C(CN1)C(OC)=O
+C1C(CN1)O
+C1C(CN1)c2nccnc2-c3ccc(c(F)c3)C(NC)=O
+C1C(CN1Cc2cc(c(Br)cc2)F)C(OC)=O
+C1C(CNCC1)c2cccc3c2cc[nH]3
+C1C(CNCc2nc3CCOCc3c(O)n2)OCC1
+C1C(CO)CNCC1
+C1C(CO)NCC1
+C1C(CO1)(C)C=O
+C1C(CO1)(C)c2nc(c([nH]2)-c3ccc(N)c(O)n3)-c4c(F)cc(cc4)F
+C1C(CO1)(C2CCCCC2)CO
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+C1CC(F)(F)CCC1Oc2c(cc(C(OC)=O)c(F)c2)Cl
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+C1CC(N(C(=O)OC)c2ccc(c(O)c12)Br)C
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+C1CC(NC1C(=O)O)=O
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+C1CC(c2c1c(O)c(C)cc2)=O
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+C1CC1(C#N)N
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+C1CC1(C(O)=O)c2ccc(cc2)Cl
+C1CC1(C(OC)=O)c2nc(-c3ccc(F)cc3F)c([nH]2)-c4ccc(N)c(O)n4
+C1CC1(C(OCC)=O)NC(=O)c2cncnc2
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+C1CC1(O)C
+C1CC1(O)COC
+C1CC1(Sc2cc(c(F)cc2Cl)N)C(O)=O
+C1CC1(c2c(OCOC)ccc(C)c2O)CO
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4cc(Br)c(cc4)C
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4cc(c(cc4)C(=O)OC)Br
+C1CC1(c2ccc(Br)cc2F)C(=O)O
+C1CC1(c2ccc(cc2)Br)C(=O)N
+C1CC1(c2ccc3c(OCO3)c2)C(O)=O
+C1CC1(c2ccccc2)C(O)=O
+C1CC12C(=O)c3c(CC2)ccc(c3)Br
+C1CC12CCN(CC2=O)Cc3ccccc3
+C1CC12CN(c3nc(ncc3NC2=O)Cl)C4CCCCC4
+C1CC12COCCNC2
+C1CC1Br
+C1CC1C#C
+C1CC1C#CCO
+C1CC1C(=O)Cl
+C1CC1C(=O)N
+C1CC1C(=O)OCC
+C1CC1C(Br)C(=O)OCC
+C1CC1C(C)=O
+C1CC1C(C)N
+C1CC1C(C)O
+C1CC1C(C2CC2)=O
+C1CC1C(N)=NO
+C1CC1C(NC(c2ccccc2)C)C#N
+C1CC1C(NN)=O
+C1CC1C(O)=O
+C1CC1C(OC)=O
+C1CC1C2(C(N(c3cc(ncc3)Br)CC2)=O)C#N
+C1CC1C2(C3CC3)c4cc(B(O)O)ccc4NC(O2)=O
+C1CC1C2CN(CC2C=O)CC=C
+C1CC1C=2Nc3ccccc3C4=NN(c5ccc(cc5)C(=O)O)C(C=24)=O
+C1CC1C=CC#N
+C1CC1C=O
+C1CC1CBr
+C1CC1CC(=O)Cl
+C1CC1CC(CC2CC2)O
+C1CC1CC(O)=O
+C1CC1CCBr
+C1CC1CCC(=O)O
+C1CC1CCCCCCCCC(O)=O
+C1CC1CCN
+C1CC1CCO
+C1CC1CN
+C1CC1CN2c3[nH]c(nc3C(=O)N(Cc4ccccc4F)C2=O)Cc5ccc(cc5)NC
+C1CC1CN2c3ccccc3-c4c(C(N)C2=O)cccc4
+C1CC1CNC(Nc2ccc(cc2)C(OCC)=O)=O
+C1CC1CNCC
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+C1CC1CNCCC
+C1CC1CO
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+C1CC1COc2c(-c3n(C)cnc3-c4nccc(C(=O)O)c4)ccc(c2)F
+C1CC1COc2c(Br)ccc(C(=O)O)n2
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+C1CC1COc2ccc(cc2)S(=O)(=O)O
+C1CC1COc2ccnc(CCl)c2
+C1CC1COc2ncc(cc2)OC3CCNC3=O
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+C1CC1Cc2c(ccc(c2O)C(OC)=O)O
+C1CC1Cn2c3c(cccn3)cc2C=O
+C1CC1N
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+C1CC1N2C(C(N)C)=Cc3cccc(c3C2=O)Cl
+C1CC1N2C(Nc3ccccc3C2=O)=O
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+C1CC1N2CCNCC2
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+C1CC1N2c3c(cccc3)NCC2
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+C1CC1N=C=S
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+C1CCC(C1)n2cnc3c2nc(nc3Nc4ccccc4OCCCCl)Cl
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+C1CCCC(n2c3c(cc(c(c3)C(=O)OCC)O)cn2)O1
+C1CCCC(n2cnc3c2nc(nc3Cl)Cl)O1
+C1CCCC(n2cnc3c2nc(nc3N)OC(CC)C)O1
+C1CCCC(n2nc(C=O)c([N+]([O-])=O)c2)O1
+C1CCCC(n2ncc3c(ncnc23)Cl)O1
+C1CCCC1(CC(=C)Cl)C(OC)=O
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+C1CCCC1C(=O)OC
+C1CCCC1C(CCC(=O)C)=O
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+C1CCCC1CC#C
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+C1CCCC1CC(C(O)=O)N
+C1CCCC1CC(C(OC)=O)Br
+C1CCCC1CC(N)C(=NOC)c2ccc(cc2)Cl
+C1CCCC1CCC(=O)Cl
+C1CCCC1CCCO
+C1CCCC1CI
+C1CCCC1CN
+C1CCCC1I
+C1CCCC1N
+C1CCCC1N2CC(C)(C)C(=O)Nc3cnc(Cl)nc23
+C1CCCC1Nc2nc(Cl)ncc2Br
+C1CCCC1OC(=O)Cl
+C1CCCC1OS(=O)(=O)c2ccc(cc2)C
+C1CCCC1S(=O)(=O)Cl
+C1CCCC1[Zn+]
+C1CCCC1c2c3nc(nc(O)c3on2)-c4c(OCC)cccc4
+C1CCCC1c2cc(O)ccc2
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+C1CCCCC1C(CC(O)=O)N
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+C1CCCCC1CC(=O)O
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+C1CCCCC1CC=O
+C1CCCCC1CCBr
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+C1CCCCC1CCNCc2cnc(cc2)Br
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+C1CCCCC1N2C(C=C(C)N2)=O
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+C1CCCCC1Oc2ccc(cc2)CC(Cl)=NO
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+C1CCCCC1c2c(C(O)=O)cccc2
+C1CCCCC1c2c(cccc2)OCC3OC3
+C1CCCCC1c2sc(N)nn2
+C1CCCCC1n2c(CCCCl)nnn2
+C1CCCCCC(CCCCCCCC1)=O
+C1CCCCCC1C(=O)O
+C1CCCCCCC1=O
+C1CCCCCCC1N
+C1CCCCCN1c2nc(Cl)nc(n2)Cl
+C1CCCCN(C1)CCN2CCC(CC2)N
+C1CCCCN1C(CN2C=CN3C2=NC(=C(O)C3=O)C(=O)OC)=O
+C1CCCCN1CCCCl
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+C1CCCCN1N2CCc3n(-c4c(cc(Cl)cc4)Cl)cc(C)c3C2=O
+C1CCCCN1S(=O)(=O)c2cc(CO)c(Cl)cc2
+C1CCCCN1c2nc(Cl)c(c(n2)Cl)C(C(=O)OC)CCC
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+C1CCCN1C(=O)Nc2ccc([N+](=O)[O-])cn2
+C1CCCN1C(c2cn[nH]c2)=O
+C1CCCN1CCCO
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+C1CCCN1CCO
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+C1CCCN1c2nc(N3CCCC3)nc4n(c5c(CCCC5)c24)CCO
+C1CCCN1c2nc(cc(N3CCCC3)n2)N4CCNCC4
+C1CCCNCC1
+C1CCCNCC1N
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+C1CCCOC1CBr
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+C1CCN(C1)CCCCl
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+C1CCN(C1)c2c3c(c(C#N)c(S)n2)CC(C)(C)OC3
+C1CCN1
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+C1CCN2CCCC1(C(=O)OC)C2
+C1CCN2CCNCC2C1
+C1CCNC(C1)CCO
+C1CCNC1=O
+C1CCNC1C(=O)N
+C1CCNCCO1
+C1CCNNC1
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+C1CCOC1
+C1CCOC1COc2ccc3C(OC=Cc3c2)=O
+C1CCc2c(C1)c(nnc2Cc3ccc(c(c3)C#N)F)O
+C1CCc2cc(ccc2C1)OC
+C1CN(C(CNC)=O)c2cc([N+]([O-])=O)ccc2S1
+C1CN(CCC1(C#N)NO)OC
+C1CN(CCC1(C)N)CC(c2ccc3c(COC3=O)c2C)O
+C1CN(CCC1(CC#N)N)C(OCC)=O
+C1CN(CCC1(c2cc3c(CCOC3)cc2)O)C(OCC)=O
+C1CN(CCC1)C2CCNCC2
+C1CN(CCC1)C=O
+C1CN(CCC1)CCCN
+C1CN(CCC1)CCCl
+C1CN(CCC1)Cc2cc(OCC=CCN)ccc2
+C1CN(CCC1)Cc2cc(ccc2)OCCCC#N
+C1CN(CCC1)Cc2ccc(c(c2)[N+]([O-])=O)C(O)=O
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCN
+C1CN(CCC1)N
+C1CN(CCC1)c2ccc(S(=O)(=O)C)cc2C(=O)O
+C1CN(CCC1)c2ccc(c(C(O)=O)c2)[N+](=O)[O-]
+C1CN(CCC1)c2ccc(cc2)OB(O)O
+C1CN(CCC12C(=O)c3c(C2)ccc(c3)OC)Cc4ccccc4
+C1CN(CCC12CC(O)C(N)C2)c3ccnc4ccc(nc34)OC
+C1CN(CCC12OCC(F)(F)c3c2sc(Cl)c3)Cc4c(n[nH]c4)C
+C1CN(CCC12OCCO2)S(=O)(=O)C=C
+C1CN(CCC12Oc3c(cc(cc3)Br)C(=O)C2)C(=O)c4cc(OC)c5cccc(OC)c5n4
+C1CN(CCC1=CC(OCC)=O)OC
+C1CN(CCC1=O)C
+C1CN(CCC1=O)C(=O)OCC=C
+C1CN(CCC1=O)C(OCC)=O
+C1CN(CCC1=O)C(c2ccc(cc2)F)=O
+C1CN(CCC1=O)c2cc(ccc2)Br
+C1CN(CCC1=O)c2ccc(cc2)C(=O)OCC
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+C1OC(CCC1)OCCO
+C1OC(CCC1)OCc2sc(C=O)nc2
+C1OC(CCC1)ON
+C1OC(CCC1)Oc2cc(C)c3c(B(OC3CC(OCC)=O)O)c2
+C1OC(CCC1)c2c(C#N)c(nc(c2C#N)C)N
+C1OC(OC(COc2c(c(F)ccc2[N+]([O-])=O)F)C)CCC1
+C1OCC1(CBr)CO
+C1OCC12CCC(CC2)=O
+C1OCC1=CC(OCC)=O
+C1OCC1=O
+C1OCC1CN
+C1OCC1N
+C1OCCOCC12NCC(c3cc(F)ccc3)NC2=O
+C1ONCC1
+C1Oc2c(-n3cc(C(OC)=O)nc13)cccc2
+C1Oc2c(cc(cc2)C=O)O1
+C1Oc2c(cc3CNCCc3c2)O1
+C1Oc2ccc(cc2O1)CCl
+C1Sc2c(cc(cc2)CC(O)=O)C(=O)c3c1cccc3
+C1c2[nH]c3c(cccc3)c2CCN1
+C1c2c(C(=O)c3ccc(Cl)cc3C1)cccc2OC
+C1c2c(C(CC1)=O)ccc(c2)O
+C1c2c(CC(=O)C1)cccc2O
+C1c2c(CC1)c(-c3nc(C)no3)c(N)s2
+C1c2c(CCC1)c(O)ccc2
+C1c2c(CN1S(=O)(=O)c3ccc(cc3)C)c(Cl)sc2Cl
+C1c2c(cc[nH]2)C(NC1)=O
+C1c2c(cccc2O)C(CC1)=O
+C1c2c(cncc2Br)C(C(C1)C(OC)=O)=O
+C1c2c3cc(OC)ccc3[nH]c2C(CC(OCC)=O)C1
+C1c2cc(OC)ccc2OCC1C(=O)O
+C1c2ccccc2C(=O)c3cc(ccc3O1)C=O
+C1c2ccccc2CC1(N)C(=O)OC
+C1c2ccccc2CC13N(C)C(=O)NC3=O
+C1c2ccccc2OC1
+C1c2ncccc2CN1
+C1c2sc(cc2CC1)C(=O)OC
+C=1(C(N(C)C(C)=CC=1O)=O)C(=O)C
+C=1(C(OCC)=O)C(=O)c2cc(c(c(F)c2N3C(SC=13)C)F)F
+C=1(C)C(CC(C=1CC=C)=O)O
+C=1(C)[N+](C(=C=[N-])C(=CC=1)Cl)=O
+C=1(N(CCCC)C(NC(=O)C=1)=O)C
+C=1(N)NC(=O)NC(=O)C=1
+C=1(N)NC(NC(=O)C=1)=S
+C=1(N=C2N(C(C=1CCBr)=O)C(=CS2)C)C
+C=1(N=C2SC=C(C)N2C(C=1)=O)C(C)Br
+C=1C(C(Cl)(SC=1)C(=O)OC)=O
+C=1C=C(N(C(=C2[N+](C=CC=C2)=O)C=1C)[O-])C
+C=1C=CCC=1
+C=1CNCCC=1c2c3cccnc3[nH]c2
+C=1N(C(CO)C)c2c(c(F)c(cc2C(=O)C=1C(=O)OCC)F)F
+C=1OC(c2cccc([N+]([O-])=O)c2C=1)=O
+C=C=C
+C=CC(=O)C
+C=CC(=O)O
+C=CC(=O)OC
+C=CCOC(CC(=O)C)=O
+C=CCn1c2c(N(CCCC)C(NC2=O)=O)nc1
+C=CS(=O)(=O)C=C
+C=C[Mg]Br
+C=C[Mg]Cl
+C=Cc1c(Cl)c(cc2nc(OC)c(nc12)OC)Cl
+C=Cn1c2c(c(Cl)nc(n2)Cl)nc1
+C=Cn1c2c(c(ncn2)Cl)nc1
+C=O
+C=[N+]=[N-]
+CC(=O)C(C(C)=O)C
+CC(=O)CC(C)=O
+CC(=O)NCC(=O)O
+CC(=O)Nc1cc(C)c(cc1)Br
+CC(=O)Nc1cc(F)c(cc1)C(=O)C
+CC(=O)Nc1cc(c(cc1)Br)C(=O)O
+CC(=O)Nc1cc(c(cc1)O)C(=O)C
+CC(=O)Nc1ccc(c(-c2ccnn2C)c1)O
+CC(=O)Nc1cccc(CBr)c1
+CC(=O)Nc1cccc(c1)O
+CC(=O)Nc1scc(n1)C(=O)O
+CC(=O)OC(C)=O
+CC(C(=O)O)c1ccc([N+]([O-])=O)c(F)c1
+CC(C(=O)O)c1ccc2ncccc2c1
+CC(C(=O)O)c1cccc(OC)c1
+CC(C(=O)OC(=O)C(C)=C)=C
+CC(C(C)N)N
+CC(C)(C#C)N
+CC(C)(C#C)O
+CC(C)(C#N)C(=O)CC#N
+CC(C)(C#N)C(N)C1CC1
+CC(C)(C#N)Cc1cc(Br)ccc1
+CC(C)(C#N)O
+CC(C)(C#N)c1c(Cl)cc(cc1)OC
+CC(C)(C#N)c1c(cc(cc1)[N+](=O)[O-])Br
+CC(C)(C#N)c1cc(Br)c(F)cc1
+CC(C)(C#N)c1cc(cc(C(C)(C)C#N)c1)C
+CC(C)(C#N)c1ccc(cc1)Br
+CC(C)(C#N)c1nsc2ccc([N+](=O)[O-])cc12
+CC(C)(C(=O)Br)Br
+CC(C)(C(=O)C(=O)OC)C(=O)OC
+CC(C)(C(=O)O)c1ccc(cc1)S(=O)(=O)C=CC#N
+CC(C)(C(=O)OC)CCC(Cl)=O
+CC(C)(C(=O)OC)COCc1ccccc1
+CC(C)(C(=O)OCC)Br
+CC(C)(C(C)(C)O)O
+CC(C)(C(C)C)C(=O)C
+CC(C)(C(Cl)=O)CC
+CC(C)(C(N)C(=O)O)S
+CC(C)(C(NC)=O)CNC1CCCC1
+CC(C)(C(O)=O)CCC
+CC(C)(C(O)=O)CCCCOCCCCCl
+CC(C)(C(O)=O)NC(=O)OCc1ccccc1
+CC(C)(C(O)=O)c1cc(cnc1)Br
+CC(C)(C(O)C)O
+CC(C)(C(OC)=O)Br
+CC(C)(C(OC)=O)N
+CC(C)(C(OC)=O)OCCCCCCCC=C
+CC(C)(C(OC)=O)Oc1c(cc(O)c(Cl)c1)Cl
+CC(C)(C(OC)=O)c1cc(Br)c(c(C=O)c1)OC
+CC(C)(C(OCC)=O)CC(=O)CBr
+CC(C)(C(OCC)=O)n1cc([N+]([O-])=O)cn1
+CC(C)(C(c1cc2OCOc2cc1)O)[N+]([O-])=O
+CC(C)(C)C#C
+CC(C)(C)C(=O)C(F)(C)n1cncn1
+CC(C)(C)C(=O)CBr
+CC(C)(C)C(=O)CC#N
+CC(C)(C)C(=O)COc1c(C)cc(C(CC)(CC)c2ccc(cc2)I)cc1
+CC(C)(C)C(=O)Cl
+CC(C)(C)C(=O)N
+CC(C)(C)C(=O)N(C1CC(N(C1)C(=O)OC(C)(C)C)C(=O)O)C2CCC(CC2)C
+CC(C)(C)C(=O)Nc1c(Br)ccc(c1)OC
+CC(C)(C)C(=O)Nc1c(F)cc(c(c1)F)F
+CC(C)(C)C(=O)Nc1cc(F)cc(OCc2ccccc2)c1C(O)=O
+CC(C)(C)C(=O)Nc1ccc(nc1)N2CCN(CC2)C
+CC(C)(C)C(=O)Nc1cccc(-c2cc(OC)c(cc2OC)CCO[Si](C)(C)C(C)(C)C)n1
+CC(C)(C)C(=O)Nc1cccc(OC)c1
+CC(C)(C)C(=O)Nc1nc(O)c2c3ccccc3[nH]c2n1
+CC(C)(C)C(=O)Nc1nc(c2c(C#CCO)cn(c2n1)Cc3c(c(c(C)cn3)OC)C)Cl
+CC(C)(C)C(=O)O
+CC(C)(C)C(=O)OC(=O)C(C)(C)C
+CC(C)(C)C(=O)OC1CC(C1)O
+CC(C)(C)C(=O)OCC(N)=S
+CC(C)(C)C(=O)OCN1C(c2c(cc(cc2O)OC)N=C1)=O
+CC(C)(C)C(=O)OCN1C=Nc2cc(OCC(O)CN3CCCC3)c(OC)cc2C1=O
+CC(C)(C)C(=O)OCN1C=Nc2cc(OCC3CO3)c(OC)cc2C1=O
+CC(C)(C)C(=O)OCn1nc(cc1)I
+CC(C)(C)C(=O)c1cc(c(CC(C(=O)O)(C(=O)O)C)cc1)Br
+CC(C)(C)C(C#C)O
+CC(C)(C)C(C#N)C#N
+CC(C)(C)C(C(=O)N(C(C=C(C(=O)OCC)C)C(C)C)C)N
+CC(C)(C)C(C(=O)N1C2CC(NC2)C1)NC(=O)c3[nH]c4ccccc4c3
+CC(C)(C)C(C(=O)N1CCC(CC1)C#N)N
+CC(C)(C)C(C(=O)O)C
+CC(C)(C)C(C(O)=O)N
+CC(C)(C)C(C(OC(C)(C)C)=O)NCCN1C(c2ccccc2C1=O)=O
+CC(C)(C)C(C(OC)=O)N
+CC(C)(C)C(C)=O
+CC(C)(C)C(C)NC(c1ccc(nc1)Cl)=O
+CC(C)(C)C(CC(=O)N)N
+CC(C)(C)C(CC(=O)OC)N
+CC(C)(C)C(CC(OCC)=O)=O
+CC(C)(C)C(CO)(O)C
+CC(C)(C)C(N)C
+CC(C)(C)C(N)C(=O)NCCO
+CC(C)(C)C(N)CO
+CC(C)(C)C(NC(OC(C)(C)C)=O)C(O)=O
+CC(C)(C)C(NC(OCc1ccccc1)=O)C(=O)O
+CC(C)(C)C(Nc1c(F)c(-c2nc(sc2-c3nc(ncc3)SC)C4CC4)cc(Cl)c1)=O
+CC(C)(C)C(Nc1c(cccc1)-c2ncccn2)=O
+CC(C)(C)C(Nc1cccc(c1)Br)=O
+CC(C)(C)C(OCCl)=O
+CC(C)(C)C(c1c(cc(Br)cc1)C)(O)c2cncnc2
+CC(C)(C)C1(COC(OC1)(C(C)C)C)COC
+CC(C)(C)C1(COC1)CO
+CC(C)(C)C1=CC(C=C(C(C)(C)C)C1=O)=O
+CC(C)(C)C1=CC(NO1)=O
+CC(C)(C)C1C(=C(C(N1Cc2cc(Cl)c(cc2)F)=O)C3=Nc4ccc([N+]([O-])=O)cc4S(=N3)(=O)C)O
+CC(C)(C)C1CCC(CC1)C(O)=O
+CC(C)(C)C1CCC(CC1)Oc2c3ccc(cc3ccc2)I
+CC(C)(C)C1CCC(CC1)Oc2ccc3cc(Br)ccc3c2
+CC(C)(C)C1CCC(CC1)c2cccc(NC(=O)Cc3ccc(c(c3)OC)O)c2
+CC(C)(C)C1CCC2(CC1)CC(O)(C#N)CO2
+CC(C)(C)C1CCN(CC1)CCCN
+CC(C)(C)C1CCc2nc3c(cc2C1)cc(s3)C(O)=O
+CC(C)(C)C=O
+CC(C)(C)CC(=O)Nc1c(c(C)c2OCC(c3ccc(cc3)C4OCCO4)c2c1C)C
+CC(C)(C)CC(C)(C)N
+CC(C)(C)CC(Cl)=O
+CC(C)(C)CC(c1ccc(cc1)Cl)=O
+CC(C)(C)CC1C(C(c2cccc(Cl)c2)C(C(=O)OC(C)(C)C)N1)(c3cnc(Cl)cc3)C#N
+CC(C)(C)CC1NC(C(=O)O)C(c2cc(cc(Cl)c2)F)C13c4ccc(cc4NC3=O)Cl
+CC(C)(C)CC=O
+CC(C)(C)CCBr
+CC(C)(C)CCC(=O)N1CCN(CC1)c2cc(C#N)ccn2
+CC(C)(C)CCCN
+CC(C)(C)CCN
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(C)nc3cc(ncc3c2)Cl)c1)F)=O
+CC(C)(C)CCc1cc(-c2cc(ccc2F)OC)ccc1O
+CC(C)(C)CI
+CC(C)(C)CN
+CC(C)(C)CN1C(C(SC(c2cc(ccc12)Cl)c3c4c(ccc3)cccc4)CC(=O)O)=O
+CC(C)(C)CN1C(N(c2c1ccc(-c3cc(ccc3C)C(=O)OC)n2)C)=O
+CC(C)(C)CN1c2ccccc2CN(C(=O)c3ccncc3)C(CC(=O)NCc4c(F)cccc4)C1=O
+CC(C)(C)CNC
+CC(C)(C)CNC(=O)N
+CC(C)(C)CNc1c(cnc(C#N)n1)Br
+CC(C)(C)CO
+CC(C)(C)COC(=O)Cl
+CC(C)(C)C[Mg]Cl
+CC(C)(C)Cc1c[nH]cn1
+CC(C)(C)Cc1ccccc1
+CC(C)(C)Cc1coc2cc(OC)ccc12
+CC(C)(C)Cc1n(CC2CC2)c3ccc(C(=O)OC)cc3n1
+CC(C)(C)Cl
+CC(C)(C)Cn1c2nc(ncc2nc1C)Cl
+CC(C)(C)N
+CC(C)(C)N1C(=O)C(Cl)=C(C=N1)O
+CC(C)(C)N1C=C(C(c2cc(I)ccc12)=O)C(OCC)=O
+CC(C)(C)N1N=CC(Cl)=C(C)C1=O
+CC(C)(C)N=C=O
+CC(C)(C)N=C=S
+CC(C)(C)NC(=O)CN1C(=Cc2ccc(cc2C1=O)OCc3ccc(cc3)OC)c4cc(c(cc4)F)OC
+CC(C)(C)NC(CN1C(C(Br)CC(c2ccccc2)c3ccccc13)=O)=O
+CC(C)(C)NN
+CC(C)(C)NS(=O)(=O)c1c(C)nc(NC(C)=O)s1
+CC(C)(C)NS(=O)(=O)c1c(I)cccc1OC
+CC(C)(C)NS(=O)(=O)c1c(cc(CC(C)C)s1)-c2cc(ccc2)CBr
+CC(C)(C)NS(=O)(=O)c1c(ccc([N+]([O-])=O)c1)S(=O)(=O)CC
+CC(C)(C)NS(=O)(=O)c1c2snc(c2ccc1)Cl
+CC(C)(C)NS(=O)(=O)c1cc(C)ccc1OC
+CC(C)(C)NS(=O)(=O)c1cc(ccc1C(OC)=O)CC#N
+CC(C)(C)NS(=O)(=O)c1ccccc1-c2ccc(cc2)C
+CC(C)(C)NS(=O)(=O)c1ccccc1-c2ccc(cc2)N
+CC(C)(C)NS(=O)(=O)c1ccccc1B(O)O
+CC(C)(C)NS(=O)(=O)c1ccccc1[Se]C
+CC(C)(C)NS(=O)(=O)c1cn(S(=O)(=O)c2ccc(cc2)C)cc1
+CC(C)(C)Nc1ncccc1-c2nnnn2-c3c(c(F)ccc3)F
+CC(C)(C)O
+CC(C)(C)OC(=N)C(Cl)(Cl)Cl
+CC(C)(C)OC(=O)C(C(c1c(cc(S(=O)(=O)C)cc1)Cl)=O)C(CC)=O
+CC(C)(C)OC(=O)C(C)(C)Br
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(=O)OC
+CC(C)(C)OC(=O)C(C)N
+CC(C)(C)OC(=O)C(C)ON
+CC(C)(C)OC(=O)C(C1CCCC1)CS(=O)(=O)Cl
+CC(C)(C)OC(=O)C(CC)OCCCCC=CCC=CCC=CCC=CCC=CCC
+CC(C)(C)OC(=O)C(CCO[Si](C)(C)C(C)(C)C)C(CCc1ccc(cc1)I)OCc2ccc(cc2)OC
+CC(C)(C)OC(=O)C(CN)NC(=O)OCc1ccccc1
+CC(C)(C)OC(=O)C(Cc1ccc(cc1)O)NC(OCc2ccccc2)=O
+CC(C)(C)OC(=O)C(Cc1ccc(o1)C(Nc2ccccc2)=O)C(C)=O
+CC(C)(C)OC(=O)C(N)C(C)(C)C
+CC(C)(C)OC(=O)C(N1CCCC1C(OC)=O)C2C(CC)CCN2
+CC(C)(C)OC(=O)C(c1cc(cc(OCc2ccccc2)c1)Br)C(OCC)=O
+CC(C)(C)OC(=O)C1(CC1)Cc2ccc(c(Br)c2)F
+CC(C)(C)OC(=O)C1(CCOCC1)CN2CCC(CC2)=O
+CC(C)(C)OC(=O)C1C2(CCC(CC2)(CN)C1)C(=O)O
+CC(C)(C)OC(=O)C1CC1
+CC(C)(C)OC(=O)C1CCC(c2ccccc2)N1
+CC(C)(C)OC(=O)C1CCNCC1
+CC(C)(C)OC(=O)C1N(C(=O)OC(C)(C)C)CC(OC(=O)c2ccc(cc2)[N+](=O)[O-])C1
+CC(C)(C)OC(=O)C1N(CCC1)C(=O)C2NCCC2
+CC(C)(C)OC(=O)C1N(CCCCC1C(=O)O)S(=O)(=O)c2ccc(cc2)OC
+CC(C)(C)OC(=O)C=1N2C(=O)C(N)C2SCC=1COC(C)=O
+CC(C)(C)OC(=O)C=C
+CC(C)(C)OC(=O)C=Cc1c[nH]cc1
+CC(C)(C)OC(=O)C=Cc1cc(Cl)cc(Cl)c1
+CC(C)(C)OC(=O)CBr
+CC(C)(C)OC(=O)CC(=O)C
+CC(C)(C)OC(=O)CC(=O)c1ccnc(-c2onc(C)c2)c1
+CC(C)(C)OC(=O)CC(C(CF)O)N
+CC(C)(C)OC(=O)CC(CC(CCCCC)C)C(O)=O
+CC(C)(C)OC(=O)CC(CO)NC(=O)OCc1ccccc1
+CC(C)(C)OC(=O)CC(c1cc(-c2cc(C)nc(n2)N)ccc1)=O
+CC(C)(C)OC(=O)CC(c1cc(-c2ccc(OC)nn2)ccc1)=O
+CC(C)(C)OC(=O)CC(c1ccc(C#N)s1)=O
+CC(C)(C)OC(=O)CC(c1ccc(cc1)NC(=O)Cc2cc(c(N)cc2)OC)C
+CC(C)(C)OC(=O)CC1(C(CNC1)C)C(=O)O
+CC(C)(C)OC(=O)CCC(N)C(=O)N1CCN(CC1)C(=O)OCC
+CC(C)(C)OC(=O)CCC(N)C(OC)=O
+CC(C)(C)OC(=O)CCCBr
+CC(C)(C)OC(=O)CCCCC1=Cc2c(ccc(c2)C(=O)OC)C(=O)N1c3ccc(cc3)F
+CC(C)(C)OC(=O)CCCCCC(C(=O)NCC(=O)c1cc2c(nc1OC)cccc2)NC(OCc3ccccc3)=O
+CC(C)(C)OC(=O)CCCCCC(N)C(OC)=O
+CC(C)(C)OC(=O)CCCCc1c(-c2ccc(cc2)F)nc3ccc(cc3n1)C(O)=O
+CC(C)(C)OC(=O)CCCOc1cnc(nc1)Cl
+CC(C)(C)OC(=O)CCN
+CC(C)(C)OC(=O)CCN1CC(c2ccc(cc2)Br)SCC1
+CC(C)(C)OC(=O)CCc1cc(Cc2cnccc2)cc(c1)CC(C(=O)OC)C
+CC(C)(C)OC(=O)CCc1ncccc1
+CC(C)(C)OC(=O)CN
+CC(C)(C)OC(=O)CON=C(c1csc(n1)N)C(O)=O
+CC(C)(C)OC(=O)COc1ccc(cc1)-c2c3c(sc4c3CCSC4)nc(CN5C(=O)CCC5=O)c2Cl
+CC(C)(C)OC(=O)C[Zn+]
+CC(C)(C)OC(=O)Cc1c(ccc2c1nc(cc2)C)Cl
+CC(C)(C)OC(=O)Cc1ccc(F)c(C#N)c1
+CC(C)(C)OC(=O)Cn1c2cccc(c2c(c1)CC#N)[N+](=O)[O-]
+CC(C)(C)OC(=O)Cn1nc(-c2ccccc2)c3c1C(N(c4ccc(cc4)Cl)C(c5ccc(cc5)C(C)C)=N3)=O
+CC(C)(C)OC(=O)N(C(C)C(NC(C(=O)N1CCC2C1C(CN2C(OCc3ccccc3)=O)C(OC)=O)C4CCCCC4)=O)C
+CC(C)(C)OC(=O)N(C(CCO)c1ccccc1)C
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C(C)(CCCO[Si](C)(C)C(C)(C)C)C(=O)OC1CCCC1
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2c(c3ccccc3n1)c(n(CCC)n2)CCCCCl
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1ccc(C=CC(=O)OCC)cn1
+CC(C)(C)OC(=O)N(C)C(c1ccc(cc1)O)CC(OCC)=O
+CC(C)(C)OC(=O)N(C)C1CCC(CC1)N(CC)c2c(c(cc(Cl)c2)C(=O)NCc3c(nn(C)c3C)OC)C
+CC(C)(C)OC(=O)N(C)C1CCC(CC1)O
+CC(C)(C)OC(=O)N(C)C1CCNCC1
+CC(C)(C)OC(=O)N(C)CC(=O)O
+CC(C)(C)OC(=O)N(C)CCNC
+CC(C)(C)OC(=O)N(C)Cc1cccc(c1)CC#N
+CC(C)(C)OC(=O)N(C)Cc1sc2c(nc(nc2N3CCOCC3)Cl)c1
+CC(C)(C)OC(=O)N(C)c1c2nc(cn2ccc1)C(F)(F)F
+CC(C)(C)OC(=O)N(CC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)C
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+CC(C)(C)OC(=O)NC1CCNCC1
+CC(C)(C)OC(=O)NC1CCc2c1cccc2C#N
+CC(C)(C)OC(=O)NC1CN(CC1)C(OCc2ccccc2)=O
+CC(C)(C)OC(=O)NC1CN(CCC1)c2n(Cc3c(Cl)cccc3)c4c(c2)N(C(=O)N(C)C4=O)C
+CC(C)(C)OC(=O)NC1CN(c2cc(ccc2)OCc3ccccc3)CCC1
+CC(C)(C)OC(=O)NC1COC(=O)C(CC(=O)O)C(OC(=O)C(C)C)C(OC1=O)C
+CC(C)(C)OC(=O)NC1COC(CC1)CC(=O)OC
+CC(C)(C)OC(=O)NC1CSCC(Cc2cc(F)c(c(F)c2)[N+]([O-])=O)C1=O
+CC(C)(C)OC(=O)NCC#Cc1c(NCCCCC)nc(nc1C)N
+CC(C)(C)OC(=O)NCC(C)(C)CO
+CC(C)(C)OC(=O)NCC(C)(C)c1[nH]c(c(n1)-c2ccc(Cl)c(OC)c2)-c3ccncc3
+CC(C)(C)OC(=O)NCC(N1CCC(CC1)(C(OC)=O)CO)=O
+CC(C)(C)OC(=O)NCC(NC(=O)OCc1ccccc1)CO
+CC(C)(C)OC(=O)NCC(c1ccc(C(OC)=O)cn1)=O
+CC(C)(C)OC(=O)NCC1OC1
+CC(C)(C)OC(=O)NCC1c2cccc(Oc3ncc(cc3)C#N)c2CCC1
+CC(C)(C)OC(=O)NCCC#C
+CC(C)(C)OC(=O)NCCC(N1C(=O)c2ccccc2C1=O)c3cccc(Cl)c3
+CC(C)(C)OC(=O)NCCC(O)=O
+CC(C)(C)OC(=O)NCCC1CC=CCN1Cc2ccc(Cl)c(Cl)c2
+CC(C)(C)OC(=O)NCCC1CCNCC1
+CC(C)(C)OC(=O)NCCCBr
+CC(C)(C)OC(=O)NCCCCBr
+CC(C)(C)OC(=O)NCCCCCCBr
+CC(C)(C)OC(=O)NCCCCCO
+CC(C)(C)OC(=O)NCCCCN
+CC(C)(C)OC(=O)NCCCCc1ccc(cc1)N
+CC(C)(C)OC(=O)NCCCN
+CC(C)(C)OC(=O)NCCCNc1cc(ccc1[N+](=O)[O-])C(=O)OC
+CC(C)(C)OC(=O)NCCCOCCOCCOCCCN
+CC(C)(C)OC(=O)NCCN(C)C(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O
+CC(C)(C)OC(=O)NCCN1NC(=O)C=C1C(=O)OCC
+CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ncccc1
+CC(C)(C)OC(=O)NCCO
+CC(C)(C)OC(=O)NCCOCCI
+CC(C)(C)OC(=O)NCCc1ccc(cc1)Br
+CC(C)(C)OC(=O)NCCc1ccc(cc1)O
+CC(C)(C)OC(=O)NCCc1ccc(cc1)Oc2ccc(cc2)F
+CC(C)(C)OC(=O)NCc1c2cc(c(cc2c(CC(OCC)=O)cn1)OC)OC
+CC(C)(C)OC(=O)NCc1ccc(cc1)Br
+CC(C)(C)OC(=O)NCc1ccc(cc1)N
+CC(C)(C)OC(=O)NCc1nc(C(F)(F)F)c(s1)C(OCC)=O
+CC(C)(C)OC(=O)NCc1nc(cs1)C(=O)NCCc2cccc(Cl)c2
+CC(C)(C)OC(=O)NN(C1CCCC1)c2c(Br)cnc(Cl)n2
+CC(C)(C)OC(=O)NN1C(CNCC1)=O
+CC(C)(C)OC(=O)Nc1c(C(C(N2Cc3c(cccc3)C2)=O)=O)cc(cc1)C4(CCC4)C(=O)OCC
+CC(C)(C)OC(=O)Nc1c(N)cc(I)cc1
+CC(C)(C)OC(=O)Nc1c(cc(cc1CC)-c2ccc(cc2)Cl)CC
+CC(C)(C)OC(=O)Nc1c(nccc1C)OC
+CC(C)(C)OC(=O)Nc1c(noc1)-c2ccc(cc2)OCc3ccc(cc3)OC
+CC(C)(C)OC(=O)Nc1c2OCCCc2ccc1F
+CC(C)(C)OC(=O)Nc1cc(C)c(c(C)n1)CN
+CC(C)(C)OC(=O)Nc1cc(CCC(OC)=O)ccn1
+CC(C)(C)OC(=O)Nc1cc(F)c(c(c1F)C(=O)c2ccc3c(c2)nc(cn3)Cl)F
+CC(C)(C)OC(=O)Nc1cc(Nc2nc(Nc3cc(c(OCCOC)cc3)O)ncc2F)ccc1
+CC(C)(C)OC(=O)Nc1cc(Oc2cn3nc(nc3cc2)N)ccc1Cl
+CC(C)(C)OC(=O)Nc1cc([N+]([O-])=O)c(C)cc1
+CC(C)(C)OC(=O)Nc1cc(cc(I)c1)N
+CC(C)(C)OC(=O)Nc1cc(cc([N+]([O-])=O)c1)N
+CC(C)(C)OC(=O)Nc1cc(ccc1)Nc2nc(SC)ncc2C(OCC)=O
+CC(C)(C)OC(=O)Nc1cc(sc1C(OC)=O)Br
+CC(C)(C)OC(=O)Nc1cc2nc(Cl)nc(N3CCOCC3)c2s1
+CC(C)(C)OC(=O)Nc1ccc(c(Br)c1)C
+CC(C)(C)OC(=O)Nc1ccc(c(CO)c1)Cl
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2scc(C(=O)O)n2
+CC(C)(C)OC(=O)Nc1ccc(cc1)-n2c(CCC=C)c(nn2)C(=O)NC3CC3
+CC(C)(C)OC(=O)Nc1ccc(cc1)B(O)O
+CC(C)(C)OC(=O)Nc1ccc(cc1)C(O)=O
+CC(C)(C)OC(=O)Nc1ccc(cc1)C2(C)CC(N(Cc3ccccc3)C2=O)=O
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(O)=O
+CC(C)(C)OC(=O)Nc1ccc(cc1)N
+CC(C)(C)OC(=O)Nc1ccc(nc1)C(F)(F)Cl
+CC(C)(C)OC(=O)Nc1ccc2n(c1)nc(N3CCOCC3)n2
+CC(C)(C)OC(=O)Nc1cccc(N)c1
+CC(C)(C)OC(=O)Nc1ccccc1B(O)O
+CC(C)(C)OC(=O)Nc1cccnc1Cl
+CC(C)(C)OC(=O)Nc1cnc(N2CCc3c([nH]nc3C(OCC)=O)C2)cc1
+CC(C)(C)OC(=O)Nc1nc(-c2cc3cc[nH]c3cc2)ns1
+CC(C)(C)OC(=O)Nc1nc(CO)ccc1
+CC(C)(C)OC(=O)Nc1ncc(C#N)cc1
+CC(C)(C)OC(=O)Nc1ncc(cn1)B(O)O
+CC(C)(C)OC(=O)Nc1nccc(CC(OCC)=O)c1
+CC(C)(C)OC(=O)Nc1nccc(CC(c2ccc(cc2)OC)=O)c1
+CC(C)(C)OC(=O)Nc1nccc(Cl)c1
+CC(C)(C)OC(=O)Nc1oc2c(ncc(CC)c2)c1C(=O)OCC
+CC(C)(C)OC(=O)Nc1sc(C(c2ncccc2)=O)c(-c3ccco3)n1
+CC(C)(C)OC(=O)Nc1sc(C=O)c(-c2ccco2)n1
+CC(C)(C)OC(=O)Nc1sc(nc1C(OCC)=O)-c2ccccc2
+CC(C)(C)OC(=O)Nc1scc(n1)CNC
+CC(C)(C)OC(=O)Nn1cccc1
+CC(C)(C)OC(=O)OC(=O)O
+CC(C)(C)OC(=O)OC(=O)OC(C)(C)C
+CC(C)(C)OC(=O)ON=C(c1ccccc1)C#N
+CC(C)(C)OC(=O)Oc1ccccc1
+CC(C)(C)OC(=O)c1[nH]c(C(OCC)=O)nc1
+CC(C)(C)OC(=O)c1c(C)cc(C#N)cn1
+CC(C)(C)OC(=O)c1c(C)nc(CC(C)(C)C)c(C#N)c1-c2ccc(cc2)C
+CC(C)(C)OC(=O)c1cc(F)c(c(c1)-c2ccc(C(NCC(C)(C)C)=O)cc2C(OC)=O)C
+CC(C)(C)OC(=O)c1cc2c(cc1)c(c3-c4ccc(cc4C=C(Cn23)C(OC)=O)OC)C5CCCCC5
+CC(C)(C)OC(=O)c1cc2ccn(-c3c(cc(cc3)CC(=O)OC)C#N)c2cc1
+CC(C)(C)OC(=O)c1ccc(Cl)nc1Cl
+CC(C)(C)OC(=O)c1ccc(NC2CCN(CC2)C(=O)OC(C)(C)C)c(c1)[N+](=O)[O-]
+CC(C)(C)OC(=O)c1ccc(cc1)C#CC#N
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(=O)OC)CN
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(OC)=O)CNC(=O)NC
+CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(C(Cl)=CC(Cl)=C2C)=O
+CC(C)(C)OC(=O)c1ccc(cc1)CN2C(=O)c3ccc(C(=O)OC)cc3C(c4ccccc4)=C2C(=O)OC
+CC(C)(C)OC(=O)c1cn(CC(C#C)F)nn1
+CC(C)(C)OC(=O)c1nccc(c1)Cl
+CC(C)(C)OC(=O)n1c(B(O)O)ccc1
+CC(C)(C)OC(=O)n1c2c(c(C(C)(C)C#N)c1)cccc2
+CC(C)(C)OC(=O)n1cc(nc1N)CCCCCC#C
+CC(C)(C)OC(=O)n1ccc2c(N)ccnc12
+CC(C)(C)OC(=O)n1cnc2c1c(F)cc(c2C)[N+](=O)[O-]
+CC(C)(C)OC(C(=NO)C(=O)C)=O
+CC(C)(C)OC(C(Br)C)=O
+CC(C)(C)OC(C(C(=O)C1CC1)C(=O)c2ccc(cc2S(=O)(=O)C)Cl)=O
+CC(C)(C)OC(C(C(OC)=O)CN)=O
+CC(C)(C)OC(C(C)(C)Sc1nc(cs1)CCOc2ccc(-c3ccc(cc3)F)cc2C(OC)=O)=O
+CC(C)(C)OC(C(C)NC(N(CCC1CCCCC1)CCO)=O)=O
+CC(C)(C)OC(C(Cc1cnc(cc1)Br)N)=O
+CC(C)(C)OC(C(N)CC(C)C)=O
+CC(C)(C)OC(C(N)CCCN1C(c2c(cccc2)C1=O)=O)=O
+CC(C)(C)OC(C(O)C1C(=O)NCCO1)=O
+CC(C)(C)OC(C(OCC)=O)c1c(C)nc2n(nc(NC(OCC[Si](C)(C)C)=O)c2)c1-c3c(C)c4CCCOc4c(c3)F
+CC(C)(C)OC(C(P(OCC)(OCC)=O)CCCCl)=O
+CC(C)(C)OC(C)=O
+CC(C)(C)OC(C)C1N(c2ccnc(F)n2)C(=O)OC1
+CC(C)(C)OC(C1(CC1)CCN2CCN(CC2)c3c4c(sc3)cc(C(F)(F)F)cc4)=O
+CC(C)(C)OC(C1=C(c2c([nH]cc2)C(=O)N1C)c3ccc(cc3)C)C(O)=O
+CC(C)(C)OC(C1C(C(O)=O)NCC2(CC2)C1)=O
+CC(C)(C)OC(C1CCN(CC1)c2c(cncc2F)NC(c3c4n(cc(F)cn4)nc3N)=O)=O
+CC(C)(C)OC(C1CCc2c(cc(OC)cc2)NC1=O)=O
+CC(C)(C)OC(C1CN(C1)Cc2ccc(cc2)C(=NO)N)=O
+CC(C)(C)OC(C1N(CCC1N=[N+]=[N-])C(=O)OC(C)(C)C)=O
+CC(C)(C)OC(C=1N2C(C(C2S(=O)CC=1C)NC=O)=O)=O
+CC(C)(C)OC(C=C1CCC(CC1)C(=O)OCC)=O
+CC(C)(C)OC(C=Cc1ccc(cn1)C=O)=O
+CC(C)(C)OC(CC(C(=O)NC1C(=O)NCCCCCCn2cc(c3c2cccc3)C1)CC(C)C)=O
+CC(C)(C)OC(CC(C(OCc1ccccc1)=O)Cc2ccccc2)=O
+CC(C)(C)OC(CC(CCCc1ccccc1)C(O)=O)=O
+CC(C)(C)OC(CC(N)C(O)=O)=O
+CC(C)(C)OC(CC(N)CC(C)C)=O
+CC(C)(C)OC(CC1CCn2c3c(cc(cc3)O)cc12)=O
+CC(C)(C)OC(CCC(=O)O)=O
+CC(C)(C)OC(CCC12CC(F)(F)C(C(C1C(OC2=O)C)C=Cc3ncc(Br)cc3)C)=O
+CC(C)(C)OC(CCOCCOCCOCCOCC=CCBr)=O
+CC(C)(C)OC(CCSCc1cccc(C(=O)O)c1)=O
+CC(C)(C)OC(CCc1[nH]c(cc1)C(OC)=O)=O
+CC(C)(C)OC(CCc1cc(S(=O)(=O)C)cc(C#N)n1)=O
+CC(C)(C)OC(CN(c1cc2c(cc1)n(c3c2cccc3)CC)S(=O)(=O)c4cc(cc(OS(=O)(=O)C(F)(F)F)c4)Cl)=O
+CC(C)(C)OC(CN1C(=O)Nc2ccccc12)=O
+CC(C)(C)OC(CN1C=CC=C(C1=O)NC(=O)OCc2ccccc2)=O
+CC(C)(C)OC(CNC)=O
+CC(C)(C)OC(CNC1CCCC1)=O
+CC(C)(C)OC(CNc1ccc(NS(=O)(=O)c2ccc(cc2)F)cc1N)=O
+CC(C)(C)OC(COCCOCCOCCOCCO)=O
+CC(C)(C)OC(COc1c(OC)cc(C=CC(=O)OC)cc1)=O
+CC(C)(C)OC(COc1c2CCCC(N)c2ccc1)=O
+CC(C)(C)OC(COc1ccc(cc1)CCOc2c(cccc2)C(OC)=O)=O
+CC(C)(C)OC(COc1ccc(cc1)CCSc2c(cccc2)C(OC)=O)=O
+CC(C)(C)OC(Cc1cc(F)c(c(c1)F)[N+](=O)[O-])=O
+CC(C)(C)OC(N(C(C(=O)OC)CC=C)CC=C)=O
+CC(C)(C)OC(N(C(C)C(O)=O)C)=O
+CC(C)(C)OC(N(C(CC1COCCC1)C#N)C)=O
+CC(C)(C)OC(N(C)C(Cc1ccccc1)CO)=O
+CC(C)(C)OC(N(C)CCO)=O
+CC(C)(C)OC(N(C)Cc1cn(c(c1)Br)S(=O)(=O)c2ccccc2)=O
+CC(C)(C)OC(N(C)c1cc(ccc1[N+]([O-])=O)Cl)=O
+CC(C)(C)OC(N(C1CNCC1c2ccc(cc2)Cl)C)=O
+CC(C)(C)OC(N(CC#C)CCO[Si](C)(C)C(C)(C)C)=O
+CC(C)(C)OC(N(CC=O)C)=O
+CC(C)(C)OC(N(CCCN)C)=O
+CC(C)(C)OC(N(Cc1cc(ccc1Cl)CCO)C2CC2)=O
+CC(C)(C)OC(N(Cc1ccccc1F)n2cccc2)=O
+CC(C)(C)OC(N(c1c(I)cc(Cl)nc1)C)=O
+CC(C)(C)OC(N(c1ccc(I)cc1F)C2=C(C=CC(N2C)=O)NS(=O)(=O)C3(CC3)CC=C)=O
+CC(C)(C)OC(N(c1ccncc1)CCOc2cc(C(=O)OC)cc(Cl)c2)=O
+CC(C)(C)OC(N)=O
+CC(C)(C)OC(N1C(C(C)C)c2ncc(cc2C1)C(=O)NCc3ccc(S(=O)(=O)CC)cn3)=O
+CC(C)(C)OC(N1C(C(c2ccccc2)O)CCC1Cc3ccc(cc3)N)=O
+CC(C)(C)OC(N1C(CC(C(OCC)=O)(CC1)CCOC)=O)=O
+CC(C)(C)OC(N1C(CC(C1)O)CO)=O
+CC(C)(C)OC(N1C(CC(S(=O)(=O)c2ccccc2Cl)C1)C(O)=O)=O
+CC(C)(C)OC(N1C(CC2(C1)C(C)(C)C23CCC3)C(=O)O)=O
+CC(C)(C)OC(N1C(CC2CC12)C(O)=O)=O
+CC(C)(C)OC(N1C(CCC(OC)=O)c2ccc(cc2CCC1)C#N)=O
+CC(C)(C)OC(N1C(CCC1)(CO)C)=O
+CC(C)(C)OC(N1C(CCC1)Cn2nc(I)c3c(N)ncnc23)=O
+CC(C)(C)OC(N1C(CCCC1)C(=O)O)=O
+CC(C)(C)OC(N1C(CO)CCC1)=O
+CC(C)(C)OC(N1C(CO)COC1(C)C)=O
+CC(C)(C)OC(N1C(COC(=O)c2ccc(cc2)[N+](=O)[O-])CC(O)C1)=O
+CC(C)(C)OC(N1C(CO[Si](C)(C)C(C)(C)C)C=C(C(N(C)C)=O)C(N(OCC=C)S(=O)(=O)c2c(cccc2)[N+](=O)[O-])C1)=O
+CC(C)(C)OC(N1C(c2c(c(c(nc2Cl)Cl)F)C1)=O)=O
+CC(C)(C)OC(N1C(c2cc(F)ccc2F)CCC1)=O
+CC(C)(C)OC(N1C(c2cc(cc3c2OC(=CC3=O)N4CCOCC4)C(OC)=O)CCC1)=O
+CC(C)(C)OC(N1C(c2ccccc2)C(CCC1)O)=O
+CC(C)(C)OC(N1C2(CCNCC2)CCCC1)=O
+CC(C)(C)OC(N1C2(CNC2)CC1)=O
+CC(C)(C)OC(N1C2CC(C1CC2)COS(=O)(=O)C)=O
+CC(C)(C)OC(N1C2CC(C1CNCc3ccccc3)CC2)=O
+CC(C)(C)OC(N1C2CC2CC1c3cc(on3)-c4cc(Cl)sc4)=O
+CC(C)(C)OC(N1CC(=O)NCC1)=O
+CC(C)(C)OC(N1CC(C(=O)O)C(CCC(c2c(F)cnc3ccc(OC)cc23)=O)CC1)=O
+CC(C)(C)OC(N1CC(C(=O)OC)(CCC1)Cc2c(F)cccc2)=O
+CC(C)(C)OC(N1CC(C(CC1)c2ccc(cc2)Cl)C(=O)OC)=O
+CC(C)(C)OC(N1CC(C(CC1)c2ccc(cc2)O)=O)=O
+CC(C)(C)OC(N1CC(C(CNC(C(CC(C)C)NC(=O)OCc2ccccc2)=O)C1)O)=O
+CC(C)(C)OC(N1CC(C1)=O)=O
+CC(C)(C)OC(N1CC(C1)C(O)=O)=O
+CC(C)(C)OC(N1CC(C1)CC(=O)O)=O
+CC(C)(C)OC(N1CC(C1)I)=O
+CC(C)(C)OC(N1CC(C1)N)=O
+CC(C)(C)OC(N1CC(C1)NN)=O
+CC(C)(C)OC(N1CC(C1)Oc2c(O)ccc(Cl)c2)=O
+CC(C)(C)OC(N1CC(C1)Oc2c(ncnc2N)Cl)=O
+CC(C)(C)OC(N1CC(C1)c2cc3OCCc4sc(-c5ncnn5C(C)C)nc4-c3cc2)=O
+CC(C)(C)OC(N1CC(C1)n2c(c(nc2)-c3ccc(cc3)F)-c4ccnc(n4)N)=O
+CC(C)(C)OC(N1CC(CC(C(OCC)=O)C1)N2C(c3c(-c4c(Cl)cccc24)noc3C)=O)=O
+CC(C)(C)OC(N1CC(CC1)N)=O
+CC(C)(C)OC(N1CC(CC1C(=O)Nc2ccc(cc2)N3C(=O)COCC3)O)=O
+CC(C)(C)OC(N1CC(CC1C(=O)O)c2ccccc2)=O
+CC(C)(C)OC(N1CC(CCC1)n2nc(I)c3c(N)ncnc23)=O
+CC(C)(C)OC(N1CC(CO)c2ccc(cc12)[N+](=O)[O-])=O
+CC(C)(C)OC(N1CC(COS(=O)(=O)C)CC1)=O
+CC(C)(C)OC(N1CC(F)(F)C(CN)CC1)=O
+CC(C)(C)OC(N1CC(N(C=O)CC1)C(O)=O)=O
+CC(C)(C)OC(N1CC(N(CC1)C(C=Cc2cccc(c2)Cl)=O)C(O)=O)=O
+CC(C)(C)OC(N1CC(N)CCC1)=O
+CC(C)(C)OC(N1CC(O)C(CC1)N=[N+]=[N-])=O
+CC(C)(C)OC(N1CC(O)CC(C(O)=O)C1)=O
+CC(C)(C)OC(N1CC(S(=O)(=O)c2c(cccc2)Cl)CC1C(=O)OC)=O
+CC(C)(C)OC(N1CC(c2ccc(cc2)F)C(C1)O)=O
+CC(C)(C)OC(N1CC2(C1)CC(C2)=O)=O
+CC(C)(C)OC(N1CC2(C1)c3c(cc(nc3)C(OCC)=O)CO2)=O
+CC(C)(C)OC(N1CC2(CC(C2)N3CCC(CC3)C(OCC)=O)CC1)=O
+CC(C)(C)OC(N1CC2(CCNCC2)C1)=O
+CC(C)(C)OC(N1CC2(CNC2)C1)=O
+CC(C)(C)OC(N1CC2CC(CC(C1)N2Cc3ccccc3)=O)=O
+CC(C)(C)OC(N1CC2CSC(=NC2(C1)c3nccnc3)NC(=O)c4ccccc4)=O
+CC(C)(C)OC(N1CC2N(Cc3ccc(cc3)C(OC)=O)CC1C2)=O
+CC(C)(C)OC(N1CC=C(CC1)c2cc(ncn2)Nc3ccc4cccnc4c3)=O
+CC(C)(C)OC(N1CC=C(CC1)c2sc(nn2)Br)=O
+CC(C)(C)OC(N1CCC(=CC1)OS(=O)(=O)C(F)(F)F)=O
+CC(C)(C)OC(N1CCC(=O)C1)=O
+CC(C)(C)OC(N1CCC(C1)CC(=O)O)=O
+CC(C)(C)OC(N1CCC(C1)c2n3cc(ccc3nn2)F)=O
+CC(C)(C)OC(N1CCC(C1C(O)=O)O)=O
+CC(C)(C)OC(N1CCC(CC1)(C(=O)OC)c2c3ccc(F)cc3ncn2)=O
+CC(C)(C)OC(N1CCC(CC1)(CO)F)=O
+CC(C)(C)OC(N1CCC(CC1)(O)CNc2c3ccccc3ncc2[N+]([O-])=O)=O
+CC(C)(C)OC(N1CCC(CC1)(c2cc(n(n2)C(C)(C)C)NC(C(C)NC(OCc3ccccc3)=O)=O)c4ccccc4)=O
+CC(C)(C)OC(N1CCC(CC1)=CBr)=O
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+CC(C)(C)OC(N1CCC(CC1)NC2C(OCc3ccccc3)CCCC2)=O
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+CC(C)(C)OC(N1CCC(CC1)Nc2c3ccnc(c3ccc2)Cl)=O
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+CC(C)(C)OC(N1CCC(CC1)Nc2nc(nc(N3CCOCC3)c2[N+](=O)[O-])Cl)=O
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+CC(C)(C)OC(N1CCC(CC1)Nc2nnc(-c3c(NC(C)C)cc(nc3)Cl)o2)=O
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+CC(C)(C)OC(N1CCC(CC1)c2ccc(cn2)N)=O
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+CC(C)(C)OC(N1CCC(N=[N+]=[N-])CC1C(=O)OC)=O
+CC(C)(C)OC(N1CCC(NC(COCCOCc2ccccc2)=O)C1)=O
+CC(C)(C)OC(N1CCC(NC(OCc2ccccc2)=O)C(C1)N)=O
+CC(C)(C)OC(N1CCC(Nc2cccc3cnccc23)C1)=O
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+CC(C)(C)OC(N1CCC2(CC1)NC(C(Cc3ccccc3)N2)=O)=O
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+CC(C)(C)OC(N1CCC2C1C(CN2C3CCCC3)c4c5ccc(cc5[nH]c4)F)=O
+CC(C)(C)OC(N1CCC2C1CNC2)=O
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+CC(C)(C)OC(N1CCC=2C(C1)(C(=O)c3ncccc3)Cc4c(C=2)n(nc4)-c5ccc(cc5)F)=O
+CC(C)(C)OC(N1CCCC(C1)Cn2c3nc(ncc3cc2-c4c(Cl)cccc4Cl)Cl)=O
+CC(C)(C)OC(N1CCCC(C1)c2cc(ccc2)OC(C)(C)C(OCc3ccccc3)=O)=O
+CC(C)(C)OC(N1CCCC(CNC(OCc2ccccc2)=O)C1)=O
+CC(C)(C)OC(N1CCCC(c2cc(-c3c(cccc3O)OCc4ccccc4)nc(N)n2)C1)=O
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+CC(C)(C)OC(N1CCN(C(C(OCC)=O)C1)CCc2cc3OCCOc3cc2)=O
+CC(C)(C)OC(N1CCN(C(Cl)=O)C(CC)C1)=O
+CC(C)(C)OC(N1CCN(CC1)C(=O)NNC(C2CCC3CN2C(N3OCc4ccccc4)=O)=O)=O
+CC(C)(C)OC(N1CCN(CC1)C(C(OC)=O)(C(OC)=O)CN2C(c3c(C2=O)cccc3)=O)=O
+CC(C)(C)OC(N1CCN(CC1)C(CN2Sc3c(cccc3)C2=O)=O)=O
+CC(C)(C)OC(N1CCN(CC1)C(Cl)=O)=O
+CC(C)(C)OC(N1CCN(CC1)C2CCCCc3c2cccc3)=O
+CC(C)(C)OC(N1CCN(CC1)CC(=O)N(C2CCc3ccc(cc3C2)OC)CCC)=O
+CC(C)(C)OC(N1CCN(CC1)CC(CNC(OCc2ccccc2)=O)O)=O
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)Nc3c(C(=O)OCC)c(nc(Cl)n3)C)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(C3CCC(CC3)(C)C)cc(Br)cc2)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(C=O)c(ncn2)N)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(C3CC3)cn2)C4CC4)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(cc2)N3C(=O)OC(CO)C3)F)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(cn2)CC=C)F)=O
+CC(C)(C)OC(N1CCN(CC1)c2ccc(N)nn2)=O
+CC(C)(C)OC(N1CCN(CC1)c2cccc3nc(ccc23)C)=O
+CC(C)(C)OC(N1CCN(CC1)c2cnc(N)cc2)=O
+CC(C)(C)OC(N1CCN(CC1)c2nc(Cl)nc(n2)Cl)=O
+CC(C)(C)OC(N1CCN(CC1)c2nc(ccc2)Br)=O
+CC(C)(C)OC(N1CCN(CC1)c2nc3N(CCCc3c(O)n2)C)=O
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cn2)O)=O
+CC(C)(C)OC(N1CCNC(CO)C1)=O
+CC(C)(C)OC(N1CCOC(C1)C(=O)O)=O
+CC(C)(C)OC(N1CCOC(C1)CN)=O
+CC(C)(C)OC(N1CCc2c(CC1)ccc(OS(=O)(=O)C(F)(F)F)c2)=O
+CC(C)(C)OC(N1CCc2c(cc(CCO)cc2)C1)=O
+CC(C)(C)OC(N1CCc2c(cnc(n2)S(=O)(=O)C)C1)=O
+CC(C)(C)OC(N1CCc2c(nc3n(ncc3)c2N4CC(C4)C(=O)O)CC1)=O
+CC(C)(C)OC(N1CCc2c(sc(n2)-c3ccc(cc3)OC4CC(C4)N5CCCCC5)C1)=O
+CC(C)(C)OC(N1CCc2c1ccc(O)c2)=O
+CC(C)(C)OC(N1CCc2ccc(O)cc2CC1)=O
+CC(C)(C)OC(N1CCc2ccc(cc2C1)C(O)=O)=O
+CC(C)(C)OC(N1CCc2nc(S(=O)(=O)C)nc(-c3c(Cl)cc(Cl)cc3)c2C1)=O
+CC(C)(C)OC(N1CCc2nn(-c3ccc(cc3)C(O)=O)cc2CC1)=O
+CC(C)(C)OC(N1Cc2c(C3(CCNCC3)C1)cccc2)=O
+CC(C)(C)OC(N1Cc2c(c(ncn2)N)C1)=O
+CC(C)(C)OC(N1Cc2c(nc(nc2-c3ccc(cc3)[N+](=O)[O-])N4CCOCC4C)C1)=O
+CC(C)(C)OC(N1Cc2n[nH]c(C(=O)O)c2C1)=O
+CC(C)(C)OC(N1Cc2nc[nH]c2CC1)=O
+CC(C)(C)OC(N1c2c(c3c(c(OCc4ccccc4)c2)nccc3)C(COC(C)=O)C1)=O
+CC(C)(C)OC(NC(C(=O)CCl)Cc1cc(F)cc(c1)F)=O
+CC(C)(C)OC(NC(C(=O)N(OC)C)CCS(=O)(=O)C)=O
+CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C2CCC(CC2)NCc3ccccc3)C)=O
+CC(C)(C)OC(NC(C(=O)NC1CCC(N(CC1O)C(=O)OCc2ccccc2)C)CC3CCCCC3)=O
+CC(C)(C)OC(NC(C(=O)NCc1ccccc1)CO)=O
+CC(C)(C)OC(NC(C(=O)O)C1CCCCC1)=O
+CC(C)(C)OC(NC(C(=O)O)CC1CCCCC1)=O
+CC(C)(C)OC(NC(C(=O)O)CCC(=O)OCc1ccccc1)=O
+CC(C)(C)OC(NC(C(=O)O)CO)=O
+CC(C)(C)OC(NC(C(=O)O)Cc1cc(C)cc(c1)C)=O
+CC(C)(C)OC(NC(C(=O)OC)Cc1cc(F)c(Cl)cc1)=O
+CC(C)(C)OC(NC(C(=O)OC)Cc1ccc(cc1)O)=O
+CC(C)(C)OC(NC(C(=O)OCc1ccccc1)CCC(O)=O)=O
+CC(C)(C)OC(NC(C(C)C)C(=O)CC(OC)=O)=O
+CC(C)(C)OC(NC(C(C)C)C(C(=O)NC1CCCCNC1=O)O)=O
+CC(C)(C)OC(NC(C(C)O)C(O)=O)=O
+CC(C)(C)OC(NC(C(NC1C(O)CN(CCC1)C(=O)OCc2ccccc2)=O)CC(C)C)=O
+CC(C)(C)OC(NC(C(O)=O)C(C)C)=O
+CC(C)(C)OC(NC(C(O)=O)CC(C)C)=O
+CC(C)(C)OC(NC(C(O)=O)CCCCN)=O
+CC(C)(C)OC(NC(C(O)=O)COC)=O
+CC(C)(C)OC(NC(C(O)=O)Cc1ccc(OC)cc1C)=O
+CC(C)(C)OC(NC(C(O)C(O)=O)Cc1ccccc1)=O
+CC(C)(C)OC(NC(C)(C)C(C(=O)OC)N)=O
+CC(C)(C)OC(NC(C)(C)C(N)=O)=O
+CC(C)(C)OC(NC(C)C(=O)O)=O
+CC(C)(C)OC(NC(C)C(N(OC)C)=O)=O
+CC(C)(C)OC(NC(C)c1nc2c(c(C(O)=O)c1-c3ccccc3)nccc2)=O
+CC(C)(C)OC(NC(C)c1nc2ccc(F)cc2c(C(O)=O)c1-c3ccccn3)=O
+CC(C)(C)OC(NC(C)c1onc(C(=O)OCC)c1)=O
+CC(C)(C)OC(NC(C1CC(NCC1)C(=O)N)CC)=O
+CC(C)(C)OC(NC(C1CCC(=O)O1)Cc2ccccc2)=O
+CC(C)(C)OC(NC(C1CCC(CC1)OS(=O)(=O)C)C(=O)OC)=O
+CC(C)(C)OC(NC(CC(C)C)C(=O)C(O)(C)CO)=O
+CC(C)(C)OC(NC(CC(O)=O)Cc1c(cccc1)F)=O
+CC(C)(C)OC(NC(CC)(C)C(=O)O)=O
+CC(C)(C)OC(NC(CC)C=O)=O
+CC(C)(C)OC(NC(CC)CO)=O
+CC(C)(C)OC(NC(CCC(OC1CCCCC1)=O)CO)=O
+CC(C)(C)OC(NC(CCCNC(N[N+]([O-])=O)=N)C(=O)O)=O
+CC(C)(C)OC(NC(CCCNC(OCc1ccccc1)=O)CC(=O)O)=O
+CC(C)(C)OC(NC(CN)C(C)C)=O
+CC(C)(C)OC(NC(CO)C)=O
+CC(C)(C)OC(NC(CO)CC(CC=C)CO)=O
+CC(C)(C)OC(NC(Cc1c[nH]c2c1cccc2)C(O)=O)=O
+CC(C)(C)OC(NC(Cc1c[nH]c2ccc(O)cc12)C(=O)N3CCCC3C(N)=O)=O
+CC(C)(C)OC(NC(Cc1cc(ccc1)C#N)C(N(c2ccc(cc2)OC)C)=O)=O
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2ccc(cc2)C=O)C(O)=O)=O
+CC(C)(C)OC(NC(Cc1ccc(cc1)[N+]([O-])=O)C2CN(C(O2)=O)C3(CC3)c4cccc(c4)C(C)C)=O
+CC(C)(C)OC(NC(Cc1ccccc1)C(=O)O)=O
+CC(C)(C)OC(NC(Cc1ccccc1)c2ncc[nH]2)=O
+CC(C)(C)OC(NC(Cc1cccnc1)C(O)=O)=O
+CC(C)(C)OC(NC(c1c(-c2ccccn2)c(C(OC)=O)c3c(n1)ccc(F)c3)C)=O
+CC(C)(C)OC(NC(c1cc(ccc1)Br)CN=[N+]=[N-])=O
+CC(C)(C)OC(NC(c1ccc(cc1)-c2ccccc2)CC(O)=O)=O
+CC(C)(C)OC(NC(c1ccc(cc1)OCC(C)CCC)CN=[N+]=[N-])=O
+CC(C)(C)OC(NC(c1ccccc1)C(NC2CCCC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C2)=O)=O
+CC(C)(C)OC(NC(c1ccnc(-c2c(cnn2C(F)F)[N+]([O-])=O)c1)CC=C)=O
+CC(C)(C)OC(NC(c1ncc(-c2cc(F)ccc2F)[nH]1)C3CCOCC3)=O
+CC(C)(C)OC(NC1(C(=O)OC)CC1C=C)=O
+CC(C)(C)OC(NC1(CC1)C(O)=O)=O
+CC(C)(C)OC(NC1(CC1C=C)C(=O)O)=O
+CC(C)(C)OC(NC1(CC1C=C)C(OCC)=O)=O
+CC(C)(C)OC(NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(=O)O)=O
+CC(C)(C)OC(NC1(CCNCC1)C)=O
+CC(C)(C)OC(NC1C(CN(CCO)CC1)OC)=O
+CC(C)(C)OC(NC1C(N)CCCC1)=O
+CC(C)(C)OC(NC1C(NCC(CC1)O)=O)=O
+CC(C)(C)OC(NC1C(Nc2c(NC1)ccc(c2)C)=O)=O
+CC(C)(C)OC(NC1C=CC(CO)C1)=O
+CC(C)(C)OC(NC1CC(CC1)N)=O
+CC(C)(C)OC(NC1CC(CCC)C(N)CC1)=O
+CC(C)(C)OC(NC1CC(c2ccncc2N)CC(C)C1)=O
+CC(C)(C)OC(NC1CC=CCN(C1=O)OCc2ccccc2)=O
+CC(C)(C)OC(NC1CCC(=CC1)c2c3ncccc3[nH]c2)=O
+CC(C)(C)OC(NC1CCC(C1)C(=O)O)=O
+CC(C)(C)OC(NC1CCCC=CCCC(CC(C2CC(C)C(=O)O2)NC(=O)C(NC1=O)C)C)=O
+CC(C)(C)OC(NC1CCCNC1)=O
+CC(C)(C)OC(NC1CCNC1)=O
+CC(C)(C)OC(NC1CCc2ccc(cc2C1Cc3ccccc3)C#N)=O
+CC(C)(C)OC(NC1CNC1)=O
+CC(C)(C)OC(NC1CNc2c(cccc2)NC1=O)=O
+CC(C)(C)OC(NC1Cc2c(ccc(O)c2)CC1)=O
+CC(C)(C)OC(NCC#C)=O
+CC(C)(C)OC(NCC#Cc1ccc2ncnc(Nc3ccc(c(Cl)c3)Oc4ccc(C)nc4)c2c1)=O
+CC(C)(C)OC(NCC(C(O)=O)Cc1cnc(OC)cc1)=O
+CC(C)(C)OC(NCC(C)c1ccc(cc1)I)=O
+CC(C)(C)OC(NCC(CC)C(CC)O)=O
+CC(C)(C)OC(NCC(N1CCCC1C(=O)N)=O)=O
+CC(C)(C)OC(NCC(NS(=O)C(C)(C)C)c1cc(F)cc(Br)c1)=O
+CC(C)(C)OC(NCC(O)=O)=O
+CC(C)(C)OC(NCC1(C(C(C)C)C1)C(OC)=O)=O
+CC(C)(C)OC(NCC1(CC1)C(=O)O)=O
+CC(C)(C)OC(NCC1(CC12CCCCC2)C(=O)N)=O
+CC(C)(C)OC(NCC1CCC(CC1)C(=O)O)=O
+CC(C)(C)OC(NCC1CCC(CC1)NC(OCc2ccccc2)=O)=O
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(nc23)-c4n5ccc(cc5nn4)C=C)=O
+CC(C)(C)OC(NCC1CCN(CC1)c2ncc(S(=O)(=O)C)cc2[N+](=O)[O-])=O
+CC(C)(C)OC(NCC1CCNCC1)=O
+CC(C)(C)OC(NCC1CN(C(O1)=O)c2cc(c(cc2)-c3scc(Cn4cncc4)n3)F)=O
+CC(C)(C)OC(NCC=O)=O
+CC(C)(C)OC(NCCBr)=O
+CC(C)(C)OC(NCCC(CO)O)=O
+CC(C)(C)OC(NCCCC(=O)c1ccc(Br)c(F)c1)=O
+CC(C)(C)OC(NCCCC(C(O)=O)N)=O
+CC(C)(C)OC(NCCCCNS(=O)(=O)c1ccc(cc1)CN(Cc2nccn2C)Cc3ncc[nH]3)=O
+CC(C)(C)OC(NCCCOc1cc2[n+]([O-])cc3c(n(c(n3)CCOC)CCC)c2cc1)=O
+CC(C)(C)OC(NCCCc1ccc(cc1)[N+]([O-])=O)=O
+CC(C)(C)OC(NCCN(CC(O)=O)CC(O)=O)=O
+CC(C)(C)OC(NCCN)=O
+CC(C)(C)OC(NCCNC(=O)CC1N=C(c2ccc(cc2)Cl)c3cc(ccc3-n4c1nnc4C)OC)=O
+CC(C)(C)OC(NCCNC)=O
+CC(C)(C)OC(NCCNCCN)=O
+CC(C)(C)OC(NCCOCCOCCN)=O
+CC(C)(C)OC(NCCOCCOCCOCCN)=O
+CC(C)(C)OC(NCCOCCOCCOCCOCCC(O)=O)=O
+CC(C)(C)OC(NCCn1ccc2ncnc(Cl)c12)=O
+CC(C)(C)OC(NCc1ccc(Cl)cc1CN)=O
+CC(C)(C)OC(NCc1ccc(c(N=C=S)c1)Cl)=O
+CC(C)(C)OC(NCc1ccc(c(c1)OC)OCc2cnc(cc2)OC)=O
+CC(C)(C)OC(NCc1ccc(cc1)CNCCCCN(CCC)CCC)=O
+CC(C)(C)OC(NCc1cnccc1-c2nc3N(C(CC)C(=O)N(C)c3cn2)C4CCCC4)=O
+CC(C)(C)OC(NN)=O
+CC(C)(C)OC(NNC(=O)OC(C)(C)C)=O
+CC(C)(C)OC(NNC(=O)c1ccc(cc1)C(=O)OC)=O
+CC(C)(C)OC(NNc1c(c(Cl)nc(c1C)C)[N+]([O-])=O)=O
+CC(C)(C)OC(NO)=O
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)Br)onc1C)=O
+CC(C)(C)OC(Nc1c(C(O)=O)sc(SC)c1C#N)=O
+CC(C)(C)OC(Nc1c(C)nc(nc1C)OCC(O)=O)=O
+CC(C)(C)OC(Nc1c(N)cccc1F)=O
+CC(C)(C)OC(Nc1c(O)ccc(Br)c1)=O
+CC(C)(C)OC(Nc1c(cc(c(N2CCSCC2)c1)C(F)(F)F)[N+](=O)[O-])=O
+CC(C)(C)OC(Nc1c(cccc1)NC(=O)c2cc3c(s2)ccc(OC(c4ccccc4)=O)c3)=O
+CC(C)(C)OC(Nc1cc(C(C)(C)COC2OCCCC2)no1)=O
+CC(C)(C)OC(Nc1cc(C)c(c(OC)n1)C#N)=O
+CC(C)(C)OC(Nc1cc(C)c(c(c1)C)Br)=O
+CC(C)(C)OC(Nc1cc(c(C(F)(F)F)cc1[N+]([O-])=O)C)=O
+CC(C)(C)OC(Nc1cc2CC3(CC3)C(CC=O)c2cc1)=O
+CC(C)(C)OC(Nc1ccc(-c2ccsc2)cc1N)=O
+CC(C)(C)OC(Nc1ccc(N)c(Br)n1)=O
+CC(C)(C)OC(Nc1ccc(cc1)C(N2CCC(C2)Nc3ncc(Cl)c(-c4c5c(n(S(=O)(=O)c6ccccc6)c4)cccc5)n3)=O)=O
+CC(C)(C)OC(Nc1cccc(Oc2c(C#N)c(cc(F)c2)Nc3c(F)cc(cc3)I)c1)=O
+CC(C)(C)OC(Nc1cccc(c1)C=C)=O
+CC(C)(C)OC(Nc1ccncc1C=Cc2n[nH]c3ccc(cc23)Br)=O
+CC(C)(C)OC(Nc1cn2nc(ccc2n1)I)=O
+CC(C)(C)OC(Nc1csc(c1)Br)=O
+CC(C)(C)OC(Nc1nc(N2CC(N)CCC2)ccc1)=O
+CC(C)(C)OC(OC(C)(C)C)=O
+CC(C)(C)OC(OC(C)(C)C)N(C)C
+CC(C)(C)OC(Oc1ccc(c(C)c1)O)=O
+CC(C)(C)OC(c1c(-c2ccc(cc2)CBr)cccc1)=O
+CC(C)(C)OC(c1c(OCc2ccccc2)c(O)nc(Cc3c(Cl)cccc3Cl)n1)=O
+CC(C)(C)OC(c1c(c2c(c(OC(C)=O)c(nc2s1)C)C)N)=O
+CC(C)(C)OC(c1c(cccc1)-c2cc(c(cc2)CBr)F)=O
+CC(C)(C)OC(c1c(nc2ccc(Br)cc2c1-c3ccc(cc3)F)C)=O
+CC(C)(C)OC(c1c2n(cn1)-c3ccccc3C(N4C2CC4)=O)=O
+CC(C)(C)OC(c1cc(Cl)c(F)cc1F)=O
+CC(C)(C)OC(c1cc2c(NC(=O)C2)s1)=O
+CC(C)(C)OC(c1ccc(cc1)Br)=O
+CC(C)(C)OC(c1ccc(cc1)F)=O
+CC(C)(C)OC(c1ccc(cc1)I)=O
+CC(C)(C)OC(c1ccc(cc1)N(Cc2scnc2)c3ccc(C(=O)OC)c(OC)c3)=O
+CC(C)(C)OC(c1ccc(cc1)N)=O
+CC(C)(C)OC(c1ccc(cc1)O)=O
+CC(C)(C)OC(c1cnn(-c2ccc(cc2)C(=O)OC)c1Cl)=O
+CC(C)(C)OC(c1sc2n(C(OCC)=O)nc(c2c1)N)=O
+CC(C)(C)OC(n1c(-c2ccc(Cl)c(c2)S(=O)(=O)Cc3cc(Cl)ccc3)cc4ccccc14)=O
+CC(C)(C)OC(n1c(-c2ccc(cc2)NS(=O)(=O)CC)ccc1)=O
+CC(C)(C)OC(n1c(cc2c1cccc2)C(C(=O)OCC)C)=O
+CC(C)(C)OC(n1c(ccc1-c2sccn2)-c3cc(cc(OC(COC)C)c3)O)=O
+CC(C)(C)OC(n1c2c(c(CN(CCN(C)C(=O)OC(C)(C)C)C)n1)c(O)ccc2)=O
+CC(C)(C)OC(n1c2ccc(Br)cc2cn1)=O
+CC(C)(C)OC(n1c2ccc(cc2cc1)O)=O
+CC(C)(C)OC(n1nc(c(-c2ccc(C#N)c(c2)Cl)c1C)C)=O
+CC(C)(C)OCCCO
+CC(C)(C)OCCON
+CC(C)(C)OCl
+CC(C)(C)ON=C1C=C(Oc2ccc(cc12)O)c3ncn4c(c3)ccc4
+CC(C)(C)ON=C1c2cc(Br)ccc2OC(=C1)c3ncn4c(c3)ccc4
+CC(C)(C)ON=O
+CC(C)(C)OO
+CC(C)(C)Oc1cccc(Cl)c1C#N
+CC(C)(C)Oc1nc(C=C)cnc1
+CC(C)(C)S
+CC(C)(C)S(=O)N
+CC(C)(C)S(=O)NC(C)c1cnc(cc1)C(F)(F)F
+CC(C)(C)S(=O)NC(CC(C)C(OCC)=O)c1c(cccc1F)OCC
+CC(C)(C)S(=O)NC(c1ccc(cc1)Cl)(C(CC=C)c2cccc(Cl)c2)C
+CC(C)(C)S(=O)NC1(c2c(ccc(c2)Br)OCC13CC3)C(F)(F)C(=O)OCC
+CC(C)(C)S(NC(CC(C(=O)OCC)C)c1c(cccc1)-c2ccccc2)=O
+CC(C)(C)S(NC(CCC)c1cc(cnc1)Br)=O
+CC(C)(C)[N+]#[C-]
+CC(C)(C)[SiH](C)C
+CC(C)(C)[Si](C)(C)CCCOCC1OC1
+CC(C)(C)[Si](C)(C)Cl
+CC(C)(C)[Si](C)(C)OC(C(C(N1C(Cc2ccccc2)COC1=O)=O)C)C3COC(C)(C)O3
+CC(C)(C)[Si](C)(C)OC(C(F)(F)F)CC(C)(C)c1ccccn1
+CC(C)(C)[Si](C)(C)OC(C)(C)CC(=O)O
+CC(C)(C)[Si](C)(C)OC(C)CCCC(CP(OC)(OC)=O)=O
+CC(C)(C)[Si](C)(C)OC(C)CON
+CC(C)(C)[Si](C)(C)OC(CCC1NC(=O)CC1)Cc2cc(-c3ccccc3)ccc2
+CC(C)(C)[Si](C)(C)OC(CCc1cnccc1)C(Oc2ccc(cc2)Br)C
+CC(C)(C)[Si](C)(C)OC(CN)c1ccc(c2nc(O)ccc12)O
+CC(C)(C)[Si](C)(C)OC(c1cc2c(nc1C(OC)OC)NCCC2)C
+CC(C)(C)[Si](C)(C)OC(c1cccc(C=Cc2nc3c(ccc(Cl)c3)cc2)c1)CCc4c(cccc4)C(C)(C)OC5OCCCC5
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCN=[N+]=[N-]
+CC(C)(C)[Si](C)(C)OC1C(C=O)C(OC1)c2cnccc2
+CC(C)(C)[Si](C)(C)OC1C(CC(N=[N+]=[N-])C1)COCc2ccccc2
+CC(C)(C)[Si](C)(C)OC1C2C(C(C(CCO)=C)CC2)(CCC1)C
+CC(C)(C)[Si](C)(C)OC1CC(CCC1)I
+CC(C)(C)[Si](C)(C)OC1CC(CCCO)N(C(=O)OCC=C)C1
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)CO
+CC(C)(C)[Si](C)(C)OC1CCC(N=[N+]=[N-])C1
+CC(C)(C)[Si](C)(C)OC1CCCC(N2C=C(C(=O)NC2=O)C)C1
+CC(C)(C)[Si](C)(C)OC1CCCC2C1NCCN2
+CC(C)(C)[Si](C)(C)OC1CN2C(Cc3ccc(cc3)C#N)(C1)C(N(c4cc(Cl)cc(c4)Cl)C2=O)=O
+CC(C)(C)[Si](C)(C)OCC(C)CBr
+CC(C)(C)[Si](C)(C)OCC(CCO)N
+CC(C)(C)[Si](C)(C)OCC(CCOCc1ccc(cc1)OC)=C
+CC(C)(C)[Si](C)(C)OCC(CNC(OC(C)(C)C)=O)n1c2c3c(cccc3)ncc2nc1CCl
+CC(C)(C)[Si](C)(C)OCC(COCc1ccccc1)n2c(nc3cnc4ccccc4c23)CCl
+CC(C)(C)[Si](C)(C)OCC12CC1C(=O)N(Cc3ccc(OC)cc3OC)C2
+CC(C)(C)[Si](C)(C)OCC1CC(=CCN1C(=O)OCC=C)C=2NC(=S)SC=2
+CC(C)(C)[Si](C)(C)OCC1CC(CC1O)n2ccc3c(ncnc23)NC4c5ccccc5CC4
+CC(C)(C)[Si](C)(C)OCC1CCc2c1c3c(Cl)ncnc3s2
+CC(C)(C)[Si](C)(C)OCC1OC(CC1O)N2C(NC(=N)C(=C2)I)=O
+CC(C)(C)[Si](C)(C)OCC1OC(OCC1CC(OCC)=O)C
+CC(C)(C)[Si](C)(C)OCC=1C(NC(NC=1)=O)=O
+CC(C)(C)[Si](C)(C)OCCBr
+CC(C)(C)[Si](C)(C)OCCC(C(O)=O)NC(=O)OC(C)(C)C
+CC(C)(C)[Si](C)(C)OCCC(C)n1nc(-c2cccc(c2)Cl)nn1
+CC(C)(C)[Si](C)(C)OCCC(n1cncc1)c2ccc(cc2)C#N
+CC(C)(C)[Si](C)(C)OCCC1OCCc2c1ccc(c2)C(=O)N
+CC(C)(C)[Si](C)(C)OCCCBr
+CC(C)(C)[Si](C)(C)OCCCCCCBr
+CC(C)(C)[Si](C)(C)OCCCCCCc1cccc(OCCCC(OCC)=O)c1CCC(OCC)=O
+CC(C)(C)[Si](C)(C)OCCCN(C(OCc1ccccc1)=O)CC
+CC(C)(C)[Si](C)(C)OCCN
+CC(C)(C)[Si](C)(C)OCCN(C)c1ccc(cc1)C(OCC)=O
+CC(C)(C)[Si](C)(C)OCCN1C(C)(C)c2c(cc(Br)s2)C1=O
+CC(C)(C)[Si](C)(C)OCCNC(C)C
+CC(C)(C)[Si](C)(C)OCCOc1cc(C)cc(C)c1
+CC(C)(C)[Si](C)(C)OCCOc1ccc(-c2nc(c3c(cc(OC)cc3OC)n2)O)nc1-c4ccc(cc4)S(=O)(=O)C
+CC(C)(C)[Si](C)(C)OCCOc1cccc(C=O)c1
+CC(C)(C)[Si](C)(C)OCCc1cc(ccc1)O
+CC(C)(C)[Si](C)(C)OCCc1cc2ccccc2n1-c3ccc(cc3)OCc4ccccc4
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)-c2nc(c(nc2)N)C(=O)Nc3cccnc3
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)C=O
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)CC(C(=O)OC)C
+CC(C)(C)[Si](C)(C)OCCc1cn[nH]c1
+CC(C)(C)[Si](C)(C)OCCn1c2cc(c(C)cc2cn1)N
+CC(C)(C)[Si](C)(C)OCCn1cc-2c(CCc3c-2sc4ncnc(Nc5cc(c(OCc6ncccc6)cc5)Cl)c34)n1
+CC(C)(C)[Si](C)(C)OCCn1ccc2c1cc(N)c(C)c2
+CC(C)(C)[Si](C)(C)OCCn1ncc(c1)Br
+CC(C)(C)[Si](C)(C)OCc1c(C)cnc(c1)N
+CC(C)(C)[Si](C)(C)OCc1cc(CCN)ccc1Cl
+CC(C)(C)[Si](C)(C)OCc1cc(OCC)c(c(OCC)c1)F
+CC(C)(C)[Si](C)(C)OCc1cc(OCOC)cc(C2C(CCC2)C(OC)=O)c1OCOC
+CC(C)(C)[Si](C)(C)OCc1cc2cc(-c3c(Cl)nc4ccccc4c3)n(c2cc1)C(=O)OC(C)(C)C
+CC(C)(C)[Si](C)(C)OCc1cc[n+](cc1)N
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)OP(OCC)(OCC)=O
+CC(C)(C)[Si](C)(C)OCc1ccc(n2nc(C(F)(F)F)cc12)I
+CC(C)(C)[Si](C)(C)OCc1ccc2n(c(CCl)nc2c1)CCC
+CC(C)(C)[Si](C)(C)OCc1cccc(-n2cc(nc2)C(=O)OCC)c1
+CC(C)(C)[Si](C)(C)OCc1cccc(C=O)n1
+CC(C)(C)[Si](C)(C)OCc1cccc(N2CCNCC2)c1F
+CC(C)(C)[Si](C)(C)OCc1cccc(c1COP(OCC=C)(OCC=C)=O)Cl
+CC(C)(C)[Si](C)(C)OCc1ccnc(C)c1
+CC(C)(C)[Si](C)(C)OCc1n(C)c2c(c1)cc3c(C=CCCCC3O)c2
+CC(C)(C)[Si](C)(C)Oc1c(C2CC2)cc(OCC(OC)=O)c(C)c1
+CC(C)(C)[Si](C)(C)Oc1c(F)cccc1
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1CCC)CO)CCC
+CC(C)(C)[Si](C)(C)Oc1cc(C(=C)c2cc(c(cc2)OC)C)ccc1
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(c1)C)B(O)O
+CC(C)(C)[Si](C)(C)Oc1cc2[nH]ccc2cc1
+CC(C)(C)[Si](C)(C)Oc1cc2ccc(nc2cc1)C=O
+CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C=O)c2)cc1C(C)(C)CC
+CC(C)(C)[Si](C)(C)Oc1ccc(C(c2cc(OC)cc(c2)OC)=O)cc1OC
+CC(C)(C)[Si](C)(C)Oc1ccc(c2c1cccc2)C#CCCNC(=O)OCc3ccccc3
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)CCCS(=O)(=O)O
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(nn2C3CCCCO3)C(=O)OC
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)ccc(c2)C=O
+CC(C)(C)[Si](C)(C)Oc1ccc2c(nc(-c3ccc(cc3)[N+](=O)[O-])cn2)c1
+CC(C)(C)[Si](C)(C)Oc1cccc2ccc(-c3n4c(nn3)ccc(c4)Br)nc12
+CC(C)(C)[Si](C)(C)Oc1cccc2ccc(nc12)-c3n4c(nn3)cccc4
+CC(C)(C)c1[nH]c2ccc(N)cc2c1
+CC(C)(C)c1[nH]nc(c1[N+]([O-])=O)C(O)=O
+CC(C)(C)c1c(CC(C)=C)c(O)cc(C(C)(C)C)c1OC(C)=O
+CC(C)(C)c1c(N(C)C)c(cc(Br)c1)Cl
+CC(C)(C)c1c(OC(C)=O)c(cc(OC(=O)C)c1)C
+CC(C)(C)c1c(OC)c(C=Cc2ccc(cc2C(O)=O)NS(=O)(=O)C)cc(c1)N3C(=O)NC(C=C3)=O
+CC(C)(C)c1c(OC)cc(CSC)c(c1)Br
+CC(C)(C)c1c(OC)cccc1
+CC(C)(C)c1c(c(-c2nc3cc(-c4c(cccc4)C(F)(F)F)nc(c3[nH]2)OCCO[Si](C)(C)C(C)(C)C)n(n1)C)Cl
+CC(C)(C)c1c(c(C(c2ccccc2)=O)ccc1)OCc3ccccc3
+CC(C)(C)c1c(c(N)cc(n1)C=O)F
+CC(C)(C)c1c(c(cc(c1)C(=O)OC)C#N)OC
+CC(C)(C)c1c(cccc1)N
+CC(C)(C)c1c2OCC(C)(C)c2cc(c1)Br
+CC(C)(C)c1cc(C#N)cc2C(C)(C)COc12
+CC(C)(C)c1cc(C(=O)O)n[nH]1
+CC(C)(C)c1cc(C)c(c(c1O)C)CCl
+CC(C)(C)c1cc(CSC)c(c(Cl)c1)N
+CC(C)(C)c1cc(N)[nH]n1
+CC(C)(C)c1cc(N)no1
+CC(C)(C)c1cc(NC(=O)Oc2ccccc2)no1
+CC(C)(C)c1cc(NC(C(F)(F)F)=O)c([N+](=O)[O-])cc1
+CC(C)(C)c1cc(NC(Nc2ccc(cc2)C)=O)c(C(N)=O)s1
+CC(C)(C)c1cc(O)ccc1OC(C(C)(C)C)=O
+CC(C)(C)c1cc(OCCOC)cc(C(N(C)OC)=O)c1
+CC(C)(C)c1cc([N+](=O)[O-])c(O)c(Cl)c1
+CC(C)(C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])OC
+CC(C)(C)c1cc([N+]([O-])=O)c(c(c1)C=O)OC
+CC(C)(C)c1cc(c(cc1)S(C)=O)N
+CC(C)(C)c1cc(c(cc1O)C(C2CCCCCC2)O)O
+CC(C)(C)c1cc(cc(C(=O)O)c1)Br
+CC(C)(C)c1cc(cc(C(=O)OC)c1)C(=O)N
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2c([nH]c(C(=O)OC)c2)CC3CCCCC3
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)B(O)O
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)CBr
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)N
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C=C
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C=O
+CC(C)(C)c1cc(cc(Cl)n1)C(=O)OC
+CC(C)(C)c1cc(ccc1)C(CC(OCC)=O)=O
+CC(C)(C)c1cc(ccc1)N
+CC(C)(C)c1cc(ccc1)O
+CC(C)(C)c1cc(ccc1C2(CC2)OCC)OS(=O)(=O)C(F)(F)F
+CC(C)(C)c1cc(n(-c2ccnc(n2)Cl)n1)N
+CC(C)(C)c1cc(n(n1)C)N
+CC(C)(C)c1cc(nn1C)N
+CC(C)(C)c1cc2c(CC(C)C2=O)cc1OCC(C)C
+CC(C)(C)c1cc2c(c(F)c1)c(O)nnc2
+CC(C)(C)c1cc2n(C(C(CC(=O)OC)C(C)=N2)=O)n1
+CC(C)(C)c1ccc(CC(O)=O)c(OC)c1
+CC(C)(C)c1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1
+CC(C)(C)c1ccc([N+](=O)[O-])c(c1)SC(F)(F)F
+CC(C)(C)c1ccc(c(N)c1)O
+CC(C)(C)c1ccc(c(Oc2scc(C(O)=O)n2)c1)C
+CC(C)(C)c1ccc(c(S(=O)(=O)Cl)c1)OC
+CC(C)(C)c1ccc(c(c1)C=O)O
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)O)C
+CC(C)(C)c1ccc(cc1)B(O)O
+CC(C)(C)c1ccc(cc1)C
+CC(C)(C)c1ccc(cc1)C(=O)C=O
+CC(C)(C)c1ccc(cc1)C(=O)Cl
+CC(C)(C)c1ccc(cc1)C(CCCCl)=O
+CC(C)(C)c1ccc(cc1)C(Cn2nc(C(OCC)=O)cc2C(=O)OCC)=O
+CC(C)(C)c1ccc(cc1)C=O
+CC(C)(C)c1ccc(cc1)CBr
+CC(C)(C)c1ccc(cc1)CC#N
+CC(C)(C)c1ccc(cc1)CN
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(CCC2)Cc3ccc(cc3)[N+](=O)[O-]
+CC(C)(C)c1ccc(cc1)CN2c3c(NC2=O)cccc3
+CC(C)(C)c1ccc(cc1)CNC(CC(C)=O)=O
+CC(C)(C)c1ccc(cc1)COc2cc(C(=O)O)ccc2
+CC(C)(C)c1ccc(cc1)CS
+CC(C)(C)c1ccc(cc1)N
+CC(C)(C)c1ccc(cc1)N=C=O
+CC(C)(C)c1ccc(cc1)NN
+CC(C)(C)c1ccc(cc1)O
+CC(C)(C)c1ccc(cc1)Oc2c3c(cccc3)[nH]c2C(OCC)=O
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Cl
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(c2ccc(N)nc2)CC(=O)O
+CC(C)(C)c1ccc(cc1)[Mg]Br
+CC(C)(C)c1ccc(cc1NC(=O)CC2c3ccccc3Oc4ccccc24)CCC(OCC)=O
+CC(C)(C)c1ccc2c(NC(=O)CO2)c1
+CC(C)(C)c1ccc2cc(Br)ccc2c1
+CC(C)(C)c1cccc(C(C)(C)C)c1O
+CC(C)(C)c1ccccc1
+CC(C)(C)c1ccccc1Br
+CC(C)(C)c1ccccc1CCO
+CC(C)(C)c1ccccc1O
+CC(C)(C)c1ccnc(c1)-n2c3c(c4c2cccc4)ccc(Br)c3
+CC(C)(C)c1n[nH]cc1C=O
+CC(C)(C)c1nc(-c2oc3c(c2)cc(Cn4c5c(cc(OCc6ccccc6)cc5)c(c4)C#N)cc3)sc1
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)C=O)sc1
+CC(C)(C)c1nc(c2c([nH]cc2)n1)Cl
+CC(C)(C)c1nc(cc(O)n1)C2CCC2
+CC(C)(C)c1nc2c(o1)c(S(=O)(=O)N(OC)C)c(cc2)Cl
+CC(C)(C)c1nc2c(s1)cc([N+]([O-])=O)c(N3CCN(CC3)C)c2
+CC(C)(C)c1nccc(c1)-c2scc(Br)c2
+CC(C)(C)c1nn(-c2ccc(cc2)CC(OCC)=O)c(c1)N
+CC(C)(C)c1nn(-c2ccccc2)c(c1)N
+CC(C)(C)c1nn(c(C(OCC)=O)c1Cl)C
+CC(C)(C)c1oc(nn1)-c2nc(-c3[nH]c(nn3)C4CCN(CC4)C(=O)OC(C)(C)C)cnc2N
+CC(C)(C)c1sc(C=O)cc1
+CC(C)(C)c1sc(N)nn1
+CC(C)(C)n1cc(C(OCC)=O)c(Cl)n1
+CC(C)(C)n1nc(C)cc1N
+CC(C)(C)n1nc(CO)cc1CC(C)C
+CC(C)(C=O)CO
+CC(C)(CC(=O)OCC)CC=O
+CC(C)(CC(C(O)=O)=O)c1cccc(F)c1
+CC(C)(CC(C)=O)O
+CC(C)(CC(O)=O)N
+CC(C)(CC)C(=O)C(N1CCCC1C(OC)=O)=O
+CC(C)(CC)Cc1cn(S(=O)(=O)N(C)C)c(C(Cc2ccc(cc2)Br)(C)O)n1
+CC(C)(CC)N
+CC(C)(CC)c1c(ccc(C(C)(C)CC)c1)OCC(=O)Cl
+CC(C)(CC)c1cc(C(C)(C)CC)c(OC(C(Cl)=O)CC)cc1
+CC(C)(CC1(CCN(C(O1)=O)C(C)c2ccc(cc2)Br)c3ccccc3)C#N
+CC(C)(CC1COC(=O)N1)O
+CC(C)(CC=C)C=COC
+CC(C)(CCC(O)=O)C(=O)O
+CC(C)(CCC(OCc1ccc(cc1)OC)=O)NC(OCc2ccc(cc2)[N+](=O)[O-])=O
+CC(C)(CCC)CC(OCC)=O
+CC(C)(CCCC(C)CC=CC(=CC(OCC)=O)C)OC
+CC(C)(CCCCBr)C(=O)OC
+CC(C)(CCCl)CO
+CC(C)(CCN)O
+CC(C)(CCN1c2ccccc2NC1=O)O
+CC(C)(CCO)C(=O)O
+CC(C)(CF)C(=O)C
+CC(C)(CN(C)C)CN
+CC(C)(CN)CC(=O)O
+CC(C)(CN)CN
+CC(C)(CN)O
+CC(C)(CN1C(=C(C(=O)N1c2ccccc2)C(=O)OCc3ccccc3)C)O
+CC(C)(CNc1c2c(ncc1NC(=O)COCC)cc(Br)cn2)O
+CC(C)(CO)C(OC)=O
+CC(C)(CO)CC=C
+CC(C)(CO)CN
+CC(C)(CO)CO
+CC(C)(CO)S(=O)(=O)CCN
+CC(C)(Cc1cc(Cl)ccc1)CC(C(=O)O)=O
+CC(C)(Cl)C#C
+CC(C)(Cl)CCC(C)(C)Cl
+CC(C)(Cn1c(nc2c1c3c(cccc3)nc2)CCl)O
+CC(C)(Cn1c2c(cnc3cccnc23)nc1CO)F
+CC(C)(Cn1cnc(Br)c1)O
+CC(C)(N)C#N
+CC(C)(N)C(O)=O
+CC(C)(N)CN
+CC(C)(N)CO
+CC(C)(N)COC
+CC(C)(N)CS
+CC(C)(N)Cc1c2ccc(cc2[nH]c1)C
+CC(C)(N)c1cc(Br)ccc1
+CC(C)(NC(=O)C(Br)COC)C#CC
+CC(C)(NCCC=C)C#N
+CC(C)(NN)CC
+CC(C)(O)C#Cc1c(C)ncc(N)c1
+CC(C)(O)C(C)N
+CC(C)(O)C(c1ccc(nc1)C=O)O
+CC(C)(O)c1c(ccc(Br)c1)N
+CC(C)(O)c1cc(F)c(c(F)c1)-c2sc(c(c2)C(=O)N)N
+CC(C)(O)c1cc(nc(C)c1)Cl
+CC(C)(O)c1ccc2C(NCCc2c1)=O
+CC(C)(O)c1ccc2c3c(c(cc(Cl)c3Br)C(N)=O)[nH]c2c1
+CC(C)(OC(=O)c1c(Cl)ccc(N)c1)C(OCC)=O
+CC(C)(Oc1c(cc(O)c(OC)c1)C)C(=O)OC
+CC(C)(Oc1cc(C#N)ccc1)C(OCC)=O
+CC(C)([N+]([O-])=O)COS(=O)(=O)C
+CC(C)(c1c(cccc1OC)C)O
+CC(C)(c1c2c(CCO2)ccc1)CC(O)=O
+CC(C)(c1cc(Br)ccc1)C#N
+CC(C)(c1cc(C(=O)OC)ccc1)C#N
+CC(C)(c1cc(C(C)(C)CC)c(cc1)Oc2ccc(cc2C(=O)OC)OC)CC
+CC(C)(c1cc(ccc1)F)C#N
+CC(C)(c1cc2c(OCc3ncccc3C2=CCCBr)cc1)O
+CC(C)(c1cc2ccccc2[nH]1)C(=O)OCC
+CC(C)(c1cc2cccnc2c(-c3cc(ccc3)CC(c4ccc(cc4)SC)C(=O)OC)c1)S(=O)(=O)C
+CC(C)(c1ccc(c(C)c1)C(C)=O)C#N
+CC(C)(c1ccc(cc1)Cl)C=C(F)CO
+CC(C)(c1ccc(cc1)F)C(OC)=O
+CC(C)(c1ccc(cc1)S(=O)(=O)Cl)CC
+CC(C)(c1ccc(nc1)C2CC2CO)O
+CC(C)(c1cccc(c1)C(=O)Nc2cccc(O)c2)C#N
+CC(C)(c1nc(CO)ccc1)O
+CC(C)(c1ncccc1Br)C#N
+CC(C)(c1sccc1)C(NN)=O
+CC(C)=C
+CC(C)=C(B(O)O)C
+CC(C)=CC
+CC(C)=CC(=O)Cl
+CC(C)=CC(=O)O
+CC(C)=CCBr
+CC(C)=CCC(C)(c1ccccc1)C=O
+CC(C)=CCC1OC1(C)C2C(CCC(C2OC)O)(O)CSCc3ccccc3CO
+CC(C)=CCCC(=CCCC(=CCCC(=CCSCCN)C)C)C
+CC(C)=CCCC(=CCCC(C)=O)C
+CC(C)=CCCC(C)=CCCC(=CCCC(OC)=O)C
+CC(C)=CCCC(C)=O
+CC(C)=CCCC(C)CCO
+CC(C)=CCCC1(CC1CO)C
+CC(C)=CCCn1ccnc1[N+]([O-])=O
+CC(C)=CCOCCCCO
+CC(C)=CCOc1cc(O)c(C(=O)C)cc1
+CC(C)=CCn1c(nc2c1C(=O)NC(=O)N2C)Cl
+CC(C)=NO
+CC(C)=Nn1cnc2c1c3c(nc2)cccc3
+CC(C)=O
+CC(C)Br
+CC(C)C#N
+CC(C)C(=N)NO
+CC(C)C(=O)C
+CC(C)C(=O)C(C(C(C)C)=O)CC(OC(C)(C)C)=O
+CC(C)C(=O)CC(OC)=O
+CC(C)C(=O)CC(OCC)=O
+CC(C)C(=O)CN
+CC(C)C(=O)NN
+CC(C)C(=O)O
+CC(C)C(=O)OC(=O)C(C)C
+CC(C)C(=O)OC1C(C)OC(=O)C(N)COCC1Cc2c3ccccc3ccc2
+CC(C)C(=O)OCC
+CC(C)C(Br)C(=O)OCC
+CC(C)C(C(=O)NC(C(OC)=O)C(C)C)N
+CC(C)C(C(=O)OC)NS(=O)(=O)c1ccc(cc1)Br
+CC(C)C(C(C)C)(P(O)(O)=O)OOC(CN=[N+]=[N-])COCc1ccccc1
+CC(C)C(C(O)C(O)=O)N
+CC(C)C(C(OC)=O)N1Cc2c(ccc(c2)-c3ccc(cc3)[N+]([O-])=O)C1=O
+CC(C)C(CBr)=O
+CC(C)C(CC#N)=O
+CC(C)C(CC(C(=O)OCC)N)Cc1ccc2c(c1)c(OCCOC)ccc2
+CC(C)C(CNCCO)O
+CC(C)C(CO)N
+CC(C)C(CO)N1c2c(C(=O)C(C(OCC)=O)=C1)cc(Br)c(c2)OC
+CC(C)C(CO)NC
+CC(C)C(COCC=C)N
+CC(C)C(Cl)=O
+CC(C)C(Cl)OC(Cl)=O
+CC(C)C(N)(C(N)=O)C
+CC(C)C(N)=S
+CC(C)C(N)C(=O)O
+CC(C)C(N)C(=O)OC
+CC(C)C(NC(=O)OC)C(=O)N1C(CCC1C(=O)OCC)C
+CC(C)C(NC(=O)OC)C(N1C(CC(C1)=O)C(=O)OC)=O
+CC(C)C(OC)=O
+CC(C)C(c1cc([N+](=O)[O-])c(cc1)Cl)=O
+CC(C)C(c1cc(ccc1N)O)=O
+CC(C)C(c1ccc(cc1)F)=O
+CC(C)C1=C(C)NC(=S)NC1=O
+CC(C)C1=Nc2cc([N+]([O-])=O)ccc2C(=O)N1c3ccc(cc3)Cl
+CC(C)C1C(C(O)=O)CC(C)CC1
+CC(C)C1C(CC(C)CC1)OP(Cl)Cl
+CC(C)C1C2CCC1C3C(N)CCCC23
+CC(C)C1CCC(CC1)O
+CC(C)C1CCC(CC1OC(Cl)=O)C
+CC(C)C1COC(=O)N1c2ccnc(F)n2
+CC(C)C1NC(C(C)(C)NC1)=O
+CC(C)C=1OC(C=C(O)C=1)=O
+CC(C)C=1Oc2c(ccc(c2[N+]([O-])=O)NCc3ccc(cc3)OC)C(C=1Br)=O
+CC(C)C=O
+CC(C)CBr
+CC(C)CC(=O)CCC
+CC(C)CC(=O)CN
+CC(C)CC(=O)Cl
+CC(C)CC(Br)C
+CC(C)CC(C#N)NC(=O)C1CCCCC1N
+CC(C)CC(C(C(OC)=O)O)C(=O)O
+CC(C)CC(C(O)=O)CSC(=O)C
+CC(C)CC(C(O)=O)N
+CC(C)CC(C(O)=O)NC(c1cc2ccccc2s1)=O
+CC(C)CC(C(O)CC(=O)OC)N
+CC(C)CC(C(OC)=O)CC(=O)O
+CC(C)CC(C(OCC)=O)C(C)=O
+CC(C)CC(C)(CN)N
+CC(C)CC(C)=CCCC(C=C)(O)CC
+CC(C)CC(C)=O
+CC(C)CC(C=O)NC(OCc1ccccc1)=O
+CC(C)CC(CO)N
+CC(C)CC(N)C(C=C(C(=O)OCC)CCOC1CCCCO1)O
+CC(C)CC(N)C(OC)=O
+CC(C)CC(NC(C(CC(C)C)CP(OC)(CN)=O)=O)C(NC)=O
+CC(C)CC(NC(C(N)CC#C)=O)C(OC)=O
+CC(C)CC(O)=O
+CC(C)CC(O)C(=O)O
+CC(C)CC(Sc1ccc(cc1)Br)c2ccc(cc2)C(=O)OC
+CC(C)CC(c1ccccc1N)C
+CC(C)CC1(CC(c2c(c(c(C)c(C)c2O1)O)C)=O)COc3ccc(cc3)[N+](=O)[O-]
+CC(C)CC=1CC(C)C(CC=1)C=O
+CC(C)CC=O
+CC(C)CCBr
+CC(C)CCCBr
+CC(C)CCCC(CC=O)C
+CC(C)CCCC(CCCC(C)=CCCC(=O)OC)C
+CC(C)CCCC(CCO)C
+CC(C)CCN
+CC(C)CCN(C1C(C2CC1CC2)C(=O)OCC)C(=O)CC=3NS(=O)(=O)c4cc(ccc4N=3)NS(=O)(=O)C
+CC(C)CCN1C(=O)C(=C(c2cc(cn12)F)O)C(OCC)=O
+CC(C)CCN1C(=O)C(=C(c2ccccc12)O)C#N
+CC(C)CCNC(=O)c1ccc(nn1)Cl
+CC(C)CCNC1CC2(C(C(=O)O)CCC2C3CCC4CC(O)C(O)CC4(C13)C)C
+CC(C)CCNCc1nc2n(cccc2)c1Cc3c(ccc(Br)c3)OC
+CC(C)CCO
+CC(C)CCON=O
+CC(C)CCS
+CC(C)CCn1c(CO)nc2cc(C(O)=O)ccc12
+CC(C)CI
+CC(C)CN
+CC(C)CN(CCCCC(=O)O)c1c(C=O)cc(cc1)Br
+CC(C)CN1C(=CC(=O)NC1=O)Cl
+CC(C)CN1C(C(CO)=CC(c2cc(c(cc2)C)F)=N1)=O
+CC(C)CN=C=S
+CC(C)CNC
+CC(C)CNC(C(C(N)CC)=O)=O
+CC(C)CNCC(=O)OC
+CC(C)CNCC(C)C
+CC(C)CNN
+CC(C)CNc1c2n(cc(Br)n1)ccn2
+CC(C)CO
+CC(C)COC(=O)N1CCNCC1
+CC(C)COC(Cl)=O
+CC(C)COP(C)O
+CC(C)COc1c(C(c2ccc(c(CCC(=O)OCC)c2)OCC(C)C)=O)ccc(OCC(C)C)c1
+CC(C)COc1c(cc(C(Nc2cccc(OC)c2)=O)cc1)C#N
+CC(C)COc1cc(ccc1C(=O)OC)B(O)O
+CC(C)C[Mg]Br
+CC(C)C[Zn]Br
+CC(C)Cc1c(C(=O)OC)ccc(c1)B(O)O
+CC(C)Cc1ccc(cc1)C(=O)O
+CC(C)Cc1ccc(cc1)C(C(=O)O)C
+CC(C)I
+CC(C)N
+CC(C)N(C(C)C)CCCS
+CC(C)N(C(C)C)CCCl
+CC(C)N(C(C)C)P(OCC=C)OCC=C
+CC(C)N(c1ncccn1)c2ccc(cc2)I
+CC(C)N1C(=O)C=CC(=N1)c2nc(c(nc2-c3ccccc3)N)C(=O)N
+CC(C)N1C(C(C(O)=O)=Cc2c1cccc2Cl)=O
+CC(C)N1C(C(C)(C)c2c1cc(cc2)Br)=O
+CC(C)N1C(c2cc([N+](=O)[O-])ccc2C(Br)=N1)=O
+CC(C)N1CC(CO)OC1=O
+CC(C)N1CC(O)CC1
+CC(C)N1CCC(CC1)O
+CC(C)N1CCNCC1
+CC(C)N1N=C(C=CC1=O)c2nc(c(nc2Cl)N=CN(C)C)C#N
+CC(C)N1N=C(c2ccc(C(OCC)=O)cc2C1=O)Br
+CC(C)N1c2c(C(=O)C1=O)cccc2
+CC(C)N=C=O
+CC(C)N=C=S
+CC(C)NC(=O)c1c(Nc2c(F)cnc(n2)Cl)cccc1
+CC(C)NC(C)C
+CC(C)NC(CN1C(c2cc(Cl)ccc2)=Cc3c(cc(OC)cc3)C1=O)=O
+CC(C)NC1CCC(CC1)C(=O)OC
+CC(C)NCCCN
+CC(C)NCCO
+CC(C)NCc1nc(-c2cnccc2)no1
+CC(C)Nc1c(C(=O)OC)sc(Br)c1
+CC(C)Nc1c(cnc(Cl)c1)C(NN)=O
+CC(C)Nc1cc(C(O)=O)ccc1N
+CC(C)Nc1nc(C)cc(n1)C(O)=O
+CC(C)Nc1nc(nc(C)c1)SC
+CC(C)O
+CC(C)OB(OC(C)C)OC(C)C
+CC(C)OC(=N)Cc1c2c(cccc2)n(c1)C
+CC(C)OC(=O)CCc1c(c2c(ccc(F)c2)[nH]1)C
+CC(C)OC(=O)NC1CC(N(C(=O)C)c2ccc(Br)cc12)C
+CC(C)OC(COc1cccc(N)c1)=O
+CC(C)OC(Cl)=O
+CC(C)OC(NC1c2c(N(C(C)=O)C(C1)C)ccc(-c3ccc(cc3)C(=O)OCC)c2)=O
+CC(C)OC1CCC(CC1)N2CCC(CC2)N
+CC(C)OCC(CC)O
+CC(C)OCC1COC(C)(C)O1
+CC(C)OCCl
+CC(C)ON=C(c1csc(n1)NC=O)C(O)=O
+CC(C)Oc1c(Br)cc(-c2nc(-c3ccc(cc3)C=O)on2)cc1
+CC(C)Oc1c(C#N)cc(C(O)=O)cc1
+CC(C)Oc1c(Cl)cc(O)cn1
+CC(C)Oc1c(cc(C(=O)O)cn1)Cl
+CC(C)Oc1c(cc(c(Cl)c1)C(N)=NO)I
+CC(C)Oc1c(cc(c(c1)C=O)I)OC
+CC(C)Oc1cc(Br)c2ccncc2c1C
+CC(C)Oc1cc(C#N)cc(Br)c1
+CC(C)Oc1cc(C(=O)OC)ccc1Br
+CC(C)Oc1cc(C=O)c(cc1OC)Br
+CC(C)Oc1cc(c(F)cc1Cl)NC(N)=O
+CC(C)Oc1cc(cc(OCc2ccccc2)c1)C(Nc3ncc(C(=O)OC)cc3)=O
+CC(C)Oc1cc(ccc1)CBr
+CC(C)Oc1ccc(-c2nc(-c3c4c(cc[nH]4)ccc3)no2)cc1Cl
+CC(C)Oc1ccc(C(=O)O)cc1Cl
+CC(C)Oc1ccc(CCl)cc1C#N
+CC(C)Oc1ccc(nc1)COC(C)=O
+CC(C)S
+CC(C)S(=O)(=O)c1c(C#N)cc([N+](=O)[O-])cc1
+CC(C)S(=O)(=O)c1c(C2OCCCO2)ccc(c1)C#N
+CC(C)S(=O)(=O)c1c(cccc1)N
+CC(C)Sc1n(nnn1)-c2ccc(cc2)O
+CC(C)[Mg]Br
+CC(C)[Mg]Cl
+CC(C)[N+]([O-])=O
+CC(C)[SiH](C(C)C)Cl
+CC(C)[Si](C(C)C)(C(C)C)C#Cc1ccc2c(c1)C(CC(N2C(=O)C)C)N
+CC(C)[Si](C(C)C)(C(C)C)Cl
+CC(C)[Si](C(C)C)(C(C)C)OCC(C(=O)OC)c1ccccc1
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)O
+CC(C)[Si](C(C)C)(C(C)C)OCc1c(oc(C(OC)=O)c1)C
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)C(C(=O)O)CNC(=O)OC(C)(C)C
+CC(C)[Si](C(C)C)(C(C)C)OCc1nonc1C(Nc2cc(c(cc2)F)Cl)=NO
+CC(C)[Si](C(C)C)(C(C)C)OS(=O)(=O)C(F)(F)F
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C(=O)O)F
+CC(C)[Si](C(C)C)(C(C)C)n1c(-c2ccc(cc2)F)c(c(c1)Br)-c3cc(F)ncc3
+CC(C)[Si](C(C)C)(C(C)C)n1c2c(cc1)c(c(Br)cn2)F
+CC(C)[Si](C(C)C)(C(C)C)n1ccc2c1ncc(C(=O)OCc3ccccc3)c2
+CC(C)[Si](C(C)C)(C(C)C)n1ccc2c1ncc(Cl)c2F
+CC(C)[Si](C(C)C)(C(C)C)n1cccc1
+CC(C)[Si](C(C)C)(Cl)O[Si](C(C)C)(C(C)C)Cl
+CC(C)c1[nH]c2c(n1)cccc2
+CC(C)c1c(C(=O)OCC)c(c(c(C(C)C)n1)C(=O)OCC)-c2ccc(cc2)F
+CC(C)c1c(COc2ccc(Br)c(c2)C)c(no1)-c3c(cccc3Cl)Cl
+CC(C)c1c(Cl)ncnc1N
+CC(C)c1c(Cl)nnc(Cl)c1
+CC(C)c1c(O)c(C(=O)O)cc(c1)C(C)C
+CC(C)c1c(O)cccc1
+CC(C)c1c(Oc2cnc(nc2O)N)cc(c(c1)OC)C
+CC(C)c1c(c2c([nH]nc2)cc1)B(O)O
+CC(C)c1c(cc(-c2ccnc(C=Cc3ccccc3)c2)[nH]1)C(OCC)=O
+CC(C)c1c(cc(OC)c(OC)c1)Cc2c(Cl)nc(nc2)SC
+CC(C)c1c(ccc(c1)[I+]c2ccc(OC)c(C(C)C)c2)OC
+CC(C)c1c2c(c(C)ccc2C)nc(O)c1
+CC(C)c1c2cc(Br)cc(C#N)c2[nH]c1
+CC(C)c1c2nc(ncc2ccc1OC)O
+CC(C)c1cc(-c2csc3ccc(cc23)C(C)=CC(OC)=O)c(c(C(C)C)c1)OCOC
+CC(C)c1cc(Br)c(N)cc1
+CC(C)c1cc(I)c(OC)cc1F
+CC(C)c1cc(O)c(cc1)C
+CC(C)c1cc(OCC(=O)OCC)c(CCN)cc1
+CC(C)c1cc(cc(C(C)C)c1C(=O)Cl)C(C)C
+CC(C)c1cc(cc(C(C)C)c1N)Br
+CC(C)c1cc(cc(C(C)C)c1OC)C(O)=O
+CC(C)c1cc(cc2nc(-c3ccc(cc3)C(OC)=O)oc12)C#N
+CC(C)c1cc(ccc1)Br
+CC(C)c1cc(ccc1)O
+CC(C)c1cc(ccc1O)C#N
+CC(C)c1cc(ccc1Oc2c(N)nc(N)nc2)OC
+CC(C)c1cc(nc(Cl)n1)Cl
+CC(C)c1cc2c(o1)c(cc(c2)Cl)Cc3oc(C(=O)OC)cc3
+CC(C)c1ccc(C(=O)O)cn1
+CC(C)c1ccc(O)nn1
+CC(C)c1ccc(cc1)-c2c(cccc2C)C(=O)O
+CC(C)c1ccc(cc1)-c2n(c3c(OC)cc(C=O)cc3n2)CCOC
+CC(C)c1ccc(cc1)CC(O)=O
+CC(C)c1ccc2c(c1)OCO2
+CC(C)c1cccc(C(C)C)c1Br
+CC(C)c1cccc(C(C)C)c1N
+CC(C)c1cccc(C(C)C)c1N=Cc2nc(ccc2)Br
+CC(C)c1cccc(C(C)C)c1NC(C)(C)c2cccc(n2)Br
+CC(C)c1cccc(C(C)C)c1O
+CC(C)c1cccc(c1)CN
+CC(C)c1ccccc1Br
+CC(C)c1ccccc1N
+CC(C)c1n[nH]cc1CCC(=O)OCC
+CC(C)c1nc(-c2c(Cl)cccc2F)oc1OCC
+CC(C)c1nc(cs1)CCl
+CC(C)c1ncc[nH]1
+CC(C)c1nnn(CC(=O)O)c1
+CC(C)n1c(-c2c(ccc([N+]([O-])=O)c2)OC)ccn1
+CC(C)n1c(N)ccn1
+CC(C)n1c(ncc1-c2c(cnc(Cl)n2)Cl)C
+CC(C)n1c(ncc1-c2nc(N)ncc2F)C
+CC(C)n1c2c(cc(cc2)I)cn1
+CC(C)n1c2c(ccc(c2)C(=O)OC)cc1
+CC(C)n1c2c(cncc2)c(n1)C(=O)c3cc(Br)ncc3
+CC(C)n1c2cc(Br)cc(C(=O)OC)c2c(C=O)c1
+CC(C)n1c2nc(cc(c2cn1)C(=O)O)O
+CC(C)n1c2ncnc(c2c(I)c1)Cl
+CC(C)n1nc(c(c1)C(C)=O)I
+CC(C)n1nc(c2c(C(O)=O)cc(Cl)nc12)C
+CC(C)n1ncc2c(nc(nc12)-c3ccc(cc3)[N+](=O)[O-])O
+CC(C)n1ncnc1-c2nc3-c4ccc(cc4OCCn3c2)Br
+CC(CC(OC)=O)CC(=O)O
+CC(CC(OC)=O)CC(Cl)=O
+CC(CC)c1ccccc1O
+CC(CCC(C)=O)=O
+CC(NCCc1cc2c(OCO2)cc1)=O
+CC(Nc1c(OCC)cc2ncc(C#N)c(c2c1)Cl)=O
+CC(Nc1c2OCOc2c(cc1)C(OC)=O)=O
+CC(Nc1ccc(Br)c(Cl)c1C)=O
+CC(O)c1ccccc1Cl
+CC(OC1CCC2C1(CCC3C4(CCC(CC4=CCC23)OC(=O)C)C)C)=O
+CC(c1c(Cl)ccc(F)c1Cl)c2c3c([nH]c2)ncc(c3)Br
+CC(c1c(cc2ncccc2c1F)F)C(OC)=O
+CC(c1cc(F)c(cc1)C#N)(c2n(cnc2)C)N
+CC(c1cc(cc(c1)C(=O)O)[N+]([O-])=O)=O
+CC(c1ccc(F)c(F)c1)=O
+CC(c1cccc(C#N)c1)=O
+CC(c1cccc(C(=O)O)c1)C#N
+CC1(C(c2c(cccc2)C1)=O)C(OC)=O
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2c(CC)ccc(-c3ccc(cc3)N)c2
+CC1(C)C(=O)N(Cl)C(=O)N1Cl
+CC1(C)C(=O)N(c2c3c(-c4c(OC3=O)ccc(c4)Cl)ccc2N1)C
+CC1(C)C(=O)Nc2c(CN1)cc(cn2)Br
+CC1(C)C(C(OCC)=O)CC1N
+CC1(C)C(C)(C)C1C(O)=O
+CC1(C)C(C)(C)OB(O1)B2OC(C)(C)C(C)(C)O2
+CC1(C)C(C)(C)OB(O1)C2=CC(C)(C)CC(C)(C)C2
+CC1(C)C(C)(C)OB(O1)C2=CCN(C(=O)OC(C)(C)C)CCC2
+CC1(C)C(C)(C)OB(O1)C=2CCC(C)(C)CC=2
+CC1(C)C(C)(C)OB(O1)C=2CCCCC=2
+CC1(C)C(C)(C)OB(O1)OC(C)C
+CC1(C)C(C)(C)OB(O1)c2c(F)cc(cc2F)C=O
+CC1(C)C(C)(C)OB(O1)c2c(OC(F)F)cc(cc2)F
+CC1(C)C(C)(C)OB(O1)c2c(cc(CO[Si](C)(C)C(C)(C)C)cc2)NC(=O)OC(C)(C)C
+CC1(C)C(C)(C)OB(O1)c2c(nn(c2C)C)C
+CC1(C)C(C)(C)OB(O1)c2c(onc2C)C
+CC1(C)C(C)(C)OB(O1)c2c3c([nH]nc3)ccc2
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(c(c2)C)O
+CC1(C)C(C)(C)OB(O1)c2cc(C)cc(NC(=O)OC(C)(C)C)c2
+CC1(C)C(C)(C)OB(O1)c2cc(C=O)sc2
+CC1(C)C(C)(C)OB(O1)c2cc(Cl)cc(COC(C)C(F)(F)F)c2
+CC1(C)C(C)(C)OB(O1)c2cc(Cl)nc(Cl)c2
+CC1(C)C(C)(C)OB(O1)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2
+CC1(C)C(C)(C)OB(O1)c2cc([N+]([O-])=O)c(N)cc2
+CC1(C)C(C)(C)OB(O1)c2cc([N+]([O-])=O)c(cc2)NC(OC(C)(C)C)=O
+CC1(C)C(C)(C)OB(O1)c2cc(cc(Oc3ccc(cc3)S(=O)(=O)C)c2)OC(COC)C
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2)[N+]([O-])=O
+CC1(C)C(C)(C)OB(O1)c2cc3NC(=O)Nc3cc2
+CC1(C)C(C)(C)OB(O1)c2cc3c(c(oc3cc2N(S(=O)(=O)C)C)-c4ccc(cc4)F)C(=O)NC
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)nc(N)c(c3)N4CCOCC4
+CC1(C)C(C)(C)OB(O1)c2ccc(CO)c(S(=O)(=O)C)c2
+CC1(C)C(C)(C)OB(O1)c2ccc(N)cc2F
+CC1(C)C(C)(C)OB(O1)c2ccc(OC(C)C)c(C(F)(F)F)c2
+CC1(C)C(C)(C)OB(O1)c2ccc(c(C(F)(F)F)c2)OCOCCOC
+CC1(C)C(C)(C)OB(O1)c2ccc(c(F)c2)Oc3cc(C)nc(C)c3
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)-c3c(O)cccc3
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)N
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2C)O
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2F)OC
+CC1(C)C(C)(C)OB(O1)c2ccc(nc2)N
+CC1(C)C(C)(C)OB(O1)c2ccc3C(=O)C(CC(=O)OCC)(C)CCc3c2
+CC1(C)C(C)(C)OB(O1)c2ccc3OCC(Nc3c2Cl)=O
+CC1(C)C(C)(C)OB(O1)c2ccc3c(N(C(=O)O3)CCCOC)c2
+CC1(C)C(C)(C)OB(O1)c2ccc3c[nH]nc3c2
+CC1(C)C(C)(C)OB(O1)c2cccc(-n3c4c(cccc4)c5ccccc35)c2
+CC1(C)C(C)(C)OB(O1)c2cccnc2
+CC1(C)C(C)(C)OB(O1)c2ccn(n2)CCOC3OCCCC3
+CC1(C)C(C)(C)OB(O1)c2ccnn2C3CCCCO3
+CC1(C)C(C)(C)OB(O1)c2cn(nc2)C3CCN(CC3)C(=O)OC(C)(C)C
+CC1(C)C(C)(C)OB(O1)c2cn(nc2)CC
+CC1(C)C(C)(C)OB(O1)c2cnc(OC)c(OC)c2
+CC1(C)C(C)(C)OB(O1)c2cnc(OCCC3CCN(CC3)C(=O)OC(C)(C)C)c(C(F)(F)F)c2
+CC1(C)C(C)(C)OB(O1)c2cnc(c(C(F)(F)F)c2)N
+CC1(C)C(C)(C)OB(O1)c2cnc(nc2)CC
+CC1(C)C(C)(C)OB(O1)c2cnc(nc2)N
+CC1(C)C(C)(C)OB(O1)c2cnc(nc2)N3CCCC3C(F)(F)F
+CC1(C)C(C)(C)OB(O1)c2cnc(nc2)N3CCOCC3
+CC1(C)C(C)(C)OB(O1)c2cnc3N(C)C(=O)N(CCCOC4OCCCC4)C(=O)c3c2
+CC1(C)C(C)(C)OB(O1)c2cnc3c(c2)c(-c4c(OC)cccc4)nn3COCC[Si](C)(C)C
+CC1(C)C(C)(C)OB(O1)c2cncc(C(OCC)=O)c2
+CC1(C)C(C)(C)OB(O1)c2cncc(N)c2
+CC1(C)C(C)(C)OB(O1)c2cnn(C)c2
+CC1(C)C(C)(C)OB(O1)c2n(C)ncc2
+CC1(C)C(C)(C)OB(O1)c2n(CC)ncc2
+CC1(C)C(C)(C)OB(O1)c2sc(nc2)N(C(OC(C)(C)C)=O)C(C)C
+CC1(C)C(C)(C)OBO1
+CC1(C)C(C)=Nc2c1cccc2
+CC1(C)C(CCC1N)(N)C
+CC1(C)C(Cl)(Cl)C1CO
+CC1(C)C(N(C(=O)N1Br)Br)=O
+CC1(C)C(N(C)c2c(N(CC)C1=O)ccc(OC)c2)=O
+CC1(C)C(N(c2cc(NC(C)=O)c([N+](=O)[O-])cc12)CC)=O
+CC1(C)C(NC(=O)c2c1cc(Br)c(c2[N+](=O)[O-])N)=O
+CC1(C)C(Nc2c(C1O)cc(cc2)C(=O)OC)c3ccc(cc3)[N+]([O-])=O
+CC1(C)C(Nc2c(ccc(Br)c2C(OC)=O)N1)=O
+CC1(C)C(OC(=O)C1)=O
+CC1(C)C(c2c(C)c(cc(c2SC1)C)C(C)=O)=O
+CC1(C)C(c2ccc(cc2)Cl)(O1)OC
+CC1(C)C(n2c(cnc2)CO)c3c(C(O1)=O)cccc3
+CC1(C)C2(C)CCNC1Cc3c(O)cccc23
+CC1(C)C2(NC(C(F)=C2)=O)c3c(OC1)ccc(c3)Br
+CC1(C)C2=CCC3C(CCC4(C(=CCC34)C(C)CCCC(C)C)C)C2(CCC1=O)C
+CC1(C)C2C(C(=O)C1(CC2)C)C(Cl)=O
+CC1(C)C2CC(C(=O)O)C(C)C1C2
+CC1(C)C2CCC(=O)CC2c3c(O)cc(cc3O1)C(C)(C)C(=O)OC
+CC1(C)C2c3c(c(C(=O)OCC)sc3C)CC12
+CC1(C)C=C(c2c(O1)ccc(C#N)c2)N3C=CC(=CC3=O)C(O)CC(=O)OCC
+CC1(C)CC(=C(Br)CC1)C=O
+CC1(C)CC(=CC(OCC)=O)CC1
+CC1(C)CC(C)CN1
+CC1(C)CC(CC(C)(C)C1)=O
+CC1(C)CC(CC(C)(C)N1)=O
+CC1(C)CC(CC(C)(C)N1)N
+CC1(C)CC(CC(C)(C)N1)NC
+CC1(C)CC(CC(C)(C)N1C)Oc2ccc(nc2)C(Nc3ccc(cc3)N)=O
+CC1(C)CC(CC(C)(C)N1CC(F)(F)F)O
+CC1(C)CC(CC(C)(C)N1O)=O
+CC1(C)CC(CC(C)(C)N1O)O
+CC1(C)CC(Nc2c1cccc2)=O
+CC1(C)CC(Nc2nc(ncc2C#N)S(=O)(=O)C)CCC1(O)C
+CC1(C)CC(O)(CN)CCC1
+CC1(C)CC(c2c(ccc(c2)Br)C1)=O
+CC1(C)CC(c2c3c(c(C(=O)O)cc(Br)c3)[nH]c2)CCS1(=O)=O
+CC1(C)CC2CC(CN2)(C1)C
+CC1(C)CC=C(c2cc(Br)ccc2N)CC1
+CC1(C)CCC(B(O)O)=CC1
+CC1(C)CCC(C)(C)C1=COC
+CC1(C)CCC(C)(C)C1=O
+CC1(C)CCC(C)(C)c2c1c(cc(c2)C(=O)C)O
+CC1(C)CCC(CC1=O)=O
+CC1(C)CCCCC1C=O
+CC1(C)CCCc2c1cc(Br)cc2OC
+CC1(C)CCCc2c1cc(cc2)OC
+CC1(C)CCNC(=N)N1
+CC1(C)CCSc2c1cc(cc2)C#C
+CC1(C)CN(Cc2ccccc2[N+]([O-])=O)C(=S)OC1
+CC1(C)CN(Cc2cnccc2)C(C)CN1
+CC1(C)CNC(=O)C1
+CC1(C)CNCCN1
+CC1(C)CNCCN1C(=O)OCc2ccccc2
+CC1(C)CNCc2ccc(nc12)O
+CC1(C)CNc2ccc(Br)cc12
+CC1(C)CO1
+CC1(C)COCC(C)(C)N1
+CC1(C)Cc2c(C(=O)C1)c(C)c[nH]2
+CC1(C)Cc2c(c(C(=O)O)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1
+CC1(C)Cc2c(c(C(O)=O)cc(Cl)c2)O1
+CC1(C)Cc2c(c(CC)c(C(=O)OCC)[nH]2)C(C1)=O
+CC1(C)Cc2c(c3c(C(NCC3)=O)s2)C1
+CC1(C)Cc2c(cccc2OC)C1=O
+CC1(C)Cc2cc3C(NCCn3c2C1)=O
+CC1(C)N(C(=O)C(C)(C)N1)CCCI
+CC1(C)N(C(=O)c2c1cc(cc2)Cl)c3cc(cnc3)I
+CC1(C)N(CC(N)C2CC(C)C(O2)=O)CC(=O)N(c3c(C)cccc3)C1
+CC1(C)N(CCC1C(=O)OCC)C(=O)C(=O)O
+CC1(C)N=C(c2ccccc2F)c3c(NC1=O)ccc(c3)[N+]([O-])=O
+CC1(C)NC(=O)C2(CCCC2)NC1
+CC1(C)NC(C)(C)C(N(CCO)C1)=O
+CC1(C)NC(C2C1C(=O)N(C2=O)Cc3ccccc3)Cc4ccc(cc4)Br
+CC1(C)NC(c2c(ccc(c2)OCC(C)=O)O1)=O
+CC1(C)NCCNC1=O
+CC1(C)Nc2c(cccc2)C1
+CC1(C)Nc2c(cccc2)NC1=O
+CC1(C)Nc2ccc(-c3ccc(OCOC)cc3O)c(CO)c2C(=C1)C
+CC1(C)OB(O)c2c1cc(C)cc2
+CC1(C)OB(OC1(C)C)C(C)=C
+CC1(C)OB(OC1(C)C)C2=C(c3c(OCc4ccccc4)ccc(c3)C(F)(F)F)CCCC2
+CC1(C)OB(OC1(C)C)C2=CCCC2
+CC1(C)OB(OC1(C)C)C=2CCN(C(=O)OC(C)(C)C)CC=2
+CC1(C)OB(OC1(C)C)C=2CCOCC=2
+CC1(C)OB(OC1(C)C)C=C
+CC1(C)OB(OC1(C)C)C=Cc2cccnc2
+CC1(C)OB(OC1(C)C)c2c(-c3scc(C(F)(F)F)n3)cc(nc2)NC(NCC)=O
+CC1(C)OB(OC1(C)C)c2c(C)ccc(N)c2
+CC1(C)OB(OC1(C)C)c2c(C)n[nH]c2C
+CC1(C)OB(OC1(C)C)c2c(Cl)cc(cc2)N
+CC1(C)OB(OC1(C)C)c2c(F)c3nc(ccc3cc2)-c4ccccc4
+CC1(C)OB(OC1(C)C)c2c(F)ccc3n([Si](C)(C)C(C)(C)C)ccc23
+CC1(C)OB(OC1(C)C)c2c(N)cc(OCCOC)c(C(F)(F)F)c2
+CC1(C)OB(OC1(C)C)c2c(c(ccc2)C=O)CC
+CC1(C)OB(OC1(C)C)c2c(c3c(c(c2)F)OCCC3)C
+CC1(C)OB(OC1(C)C)c2c(cc(C)cc2)NC(=O)OC(C)(C)C
+CC1(C)OB(OC1(C)C)c2c(cc(F)cc2)NC(=O)C(C)(C)C
+CC1(C)OB(OC1(C)C)c2c3CCC(O[Si](C)(C)C(C)(C)C)c3ccc2
+CC1(C)OB(OC1(C)C)c2c3c(cc(c2)F)[nH]cc3
+CC1(C)OB(OC1(C)C)c2c3c(cc(s3)-c4nc(ncc4F)NCCN5C(=O)NCC5)ccc2
+CC1(C)OB(OC1(C)C)c2c[nH]nc2
+CC1(C)OB(OC1(C)C)c2cc(-c3c(cccc3)C#N)ccc2
+CC1(C)OB(OC1(C)C)c2cc(-c3c(cccc3C#N)F)c(F)cc2
+CC1(C)OB(OC1(C)C)c2cc(C(Nc3cc(C(OCC)=O)nn3-c4ccccc4)=O)c(Cl)cc2
+CC1(C)OB(OC1(C)C)c2cc(F)cc([N+](=O)[O-])c2C
+CC1(C)OB(OC1(C)C)c2cc(F)cc(c2)F
+CC1(C)OB(OC1(C)C)c2cc(F)cnc2
+CC1(C)OB(OC1(C)C)c2cc(N)ccc2F
+CC1(C)OB(OC1(C)C)c2cc(OC(c3c(ccc(F)c3Cl)Cl)C)c(nc2)N
+CC1(C)OB(OC1(C)C)c2cc(OC)c(NC(=O)OC(C)(C)C)cc2
+CC1(C)OB(OC1(C)C)c2cc(OC)c(O)cc2
+CC1(C)OB(OC1(C)C)c2cc(OC3CCC3)cnc2
+CC1(C)OB(OC1(C)C)c2cc(OCC34CCC(CC3)O4)c(cc2)F
+CC1(C)OB(OC1(C)C)c2cc(S(=O)(=O)CC)ccc2OCC3CC3
+CC1(C)OB(OC1(C)C)c2cc(c(OC)cc2CC)F
+CC1(C)OB(OC1(C)C)c2cc(c(c(Cl)c2F)F)Cl
+CC1(C)OB(OC1(C)C)c2cc(c(cc2C3CC3)OC)F
+CC1(C)OB(OC1(C)C)c2cc(c(nc2)OC)NS(=O)(=O)c3ccc(cc3)F
+CC1(C)OB(OC1(C)C)c2cc(cc(F)c2C)C(=O)NC3CC3
+CC1(C)OB(OC1(C)C)c2cc(ccc2F)S(=O)(=O)C
+CC1(C)OB(OC1(C)C)c2cc3c(C(NC(C)CN3)=O)cc2
+CC1(C)OB(OC1(C)C)c2cc3c(nc2)n(c(n3)C)COCC[Si](C)(C)C
+CC1(C)OB(OC1(C)C)c2cc3c(nccc3N4CCCC(NC(=O)OC(C)(C)C)C4)cc2
+CC1(C)OB(OC1(C)C)c2ccc(C#N)nc2
+CC1(C)OB(OC1(C)C)c2ccc(C(C)(C)O)nc2
+CC1(C)OB(OC1(C)C)c2ccc(C(NC(OC(C)(C)C)=O)C)c(Cl)c2
+CC1(C)OB(OC1(C)C)c2ccc(C)nc2
+CC1(C)OB(OC1(C)C)c2ccc(N)c(c2)OC
+CC1(C)OB(OC1(C)C)c2ccc(OCC)nc2
+CC1(C)OB(OC1(C)C)c2ccc(c(Cl)c2)C#N
+CC1(C)OB(OC1(C)C)c2ccc(c(F)c2)N
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C#N
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(F)(F)F
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(NCCN(C)C)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CC3)C(=O)NS(=O)(=O)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CC3)CC(=O)OCC
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CC3)NC(=O)OC(C)(C)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CCC3)NC(=O)OC(C)(C)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3=Nc4c(cnn4-c5cccc(C#N)c5)C(N3c6ccc(cc6)Cl)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3OC(C)(C)N(C3CF)C(OC(C)(C)C)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CBr
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(O)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCN3CCOCC3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N(C(C=Cc3ccccc3)=O)CC(N4CCC(NC(OC(C)(C)C)=O)C4)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CCN(CC3)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)NC
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)Nc3nocc3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(NC3CC3)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(NCCC)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NS(=O)(=O)c3c(ccc(Cl)c3)F
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Nc3oc4c(cc(C)cc4C)n3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCN3CCOCC3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCOC
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3ccc(C#N)c(c3)C(F)(F)F
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3ccc(cc3)F
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3ccccc3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)N
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)NC3CC3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)[N+]([O-])=O
+CC1(C)OB(OC1(C)C)c2ccc(nc2)F
+CC1(C)OB(OC1(C)C)c2ccc3OCCCc3c2
+CC1(C)OB(OC1(C)C)c2cccc(C(=O)O)c2
+CC1(C)OB(OC1(C)C)c2cccc(C(F)(F)F)c2
+CC1(C)OB(OC1(C)C)c2cccc(N)c2
+CC1(C)OB(OC1(C)C)c2cccc(c2)-c3n(c4c(cccc4)n3)-c5c(C(C)C)cccc5C(C)C
+CC1(C)OB(OC1(C)C)c2cccc(c2)NC
+CC1(C)OB(OC1(C)C)c2cccc(c2)NS(=O)(=O)c3ccc(cc3)C
+CC1(C)OB(OC1(C)C)c2cccc3Sc4cc(NC(=O)OC(C)(C)C)ccc4Sc23
+CC1(C)OB(OC1(C)C)c2cccc3[nH]ccc23
+CC1(C)OB(OC1(C)C)c2cccc3c2oc4c3ccc(C)n4
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+CC1(C)OB(OC1(C)C)c2ccnc(c2)OCC3CCOCC3
+CC1(C)OB(OC1(C)C)c2ccnn2-c3ccc(cc3)Cl
+CC1(C)OB(OC1(C)C)c2cn(C(C)(C)C(OCC)=O)nc2
+CC1(C)OB(OC1(C)C)c2cn(Cc3ccccc3)nc2
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+CC1(C)OB(OC1(C)C)c2cnc3c(c2)cc[nH]3
+CC1(C)OB(OC1(C)C)c2cncc(S(=O)(=O)NC(C)(C)C)c2
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+CC1(C)OC(=O)Nc2c1cc(-c3[nH]c(cc3)C#N)cc2
+CC1(C)OC(C(C)(C)O1)C(Cl)=NO
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+CC1(C)OCC(CCN=[N+]=[N-])O1
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+CC1(C)OCC(O1)Cn2nc(cc2)[N+](=O)[O-]
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+CC1(C)Oc2ccc(C3CNC(=O)O3)cc2CO1
+CC1(C)Oc2ccc(cc2C(O1)=O)C=O
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+CC1(C)c2c(CC1)cc(OC)cc2
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+CC1(C)c2c(NC1=O)cc(Cl)nc2
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+CC1(C)c2c(OCC1)cc(cc2)Br
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+CC1(C)c2c(ccc(c2SCC1)Cl)Cl
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+CC1(C)c2cc(c(cc2N(C(C1)=O)CC)N)N
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+CC1(C)c2nc3c(cc(Cl)cc3)c(c2CC1)Cl
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+CC12C3CCC4(C)C(CCC4C3CCC1CC(C)(O)CC2)C(O)=O
+CC1=C(C#N)C(C(=C(C)N1)C#N)c2ccc(F)c(C#N)c2
+CC1=C(C(OC)=O)N(C(=C(C)N1)C(OC)=O)c2cc(ccc2)[N+](=O)[O-]
+CC1C(C)OS(=O)(=O)O1
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+CC1CC1C(N)C
+CC1CCCN1
+CC1CCOc2cccc(OCOC)c12
+CC1CN(CC(C)C1=O)Cc2ccccc2
+CC1CN(CC(C)O1)CCCCCCCCCCCO
+CC1CN(CC(C)O1)c2c(c(ccc2C(=O)O)F)F
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+CC1CNc2cc(C)c(O)c(c12)C
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+CC1N(CC=C)CC(N(CCCCl)C1)C
+CC1NCCOC1
+CC1c2c(ccc(OC)c2)CCC1
+CC1c2c(ncnc2Cl)C(O)C1
+CC1c2ccc(O)nc2CCNC1
+CC=1N(C(=O)c2c(cccc2)C=1CC(O)=O)O
+CCB(CC)CC
+CCB(CC)c1cnccc1
+CCBr
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+CCC(=O)Br
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+CCC(=O)CC(OC)=O
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+CCC(=O)CCCCCC
+CCC(=O)Cl
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+CCC(C(=O)OC)Br
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+CCC(C)Br
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+CCC(CC)(c1ccc(OCc2ccccc2)c(C)c1)C(=O)Nc3c(cc(C(=O)OC)cc3)O
+CCC(CC)(c1ccc(OCc2ccccc2)c(C)c1)C(=O)Nc3cc(C(OC)=O)ccc3O
+CCC(CC)C(Cl)=O
+CCC(CC)C=O
+CCC(CC)CCN
+CCC(CC)N
+CCC(CC)c1c(N)nnc(c1)C
+CCC(CCCC)CO
+CCC(CN=C=S)C
+CCC(CO)C
+CCC(N)C
+CCC(N)C(=O)N
+CCC(N)C(=O)O
+CCC(N)CO
+CCC(OC)C(=O)O
+CCC(OCC)=O
+CCC(c1cc(CN)c(cc1)O)=O
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+CCC(c1cccc(OC)c1)=O
+CCC1(CC)C(Nc2ccccc12)=O
+CCC1(CC)OC(N(CCC(C)(C)N)c2ccccc12)=O
+CCC=CCCC(CCC=CCC)O
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+CCCC(=O)Cl
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+CCCC(CCC)(C(=O)OCC)Oc1ccc(Cl)cc1C2OCCO2
+CCCC(N)C
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+CCCCCCCCCCCC#N
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+CCCCCCCCCCCCC(=O)O
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+CCCCI
+CCCCN
+CCCCN(CCCC)SN(C)C(F)=O
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+CCCCOC(=O)C=C
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+CCCC[Sn](CCCC)(CCCC)c1ccccn1
+CCCC[Sn](CCCC)(CCCC)c1ccncc1F
+CCCC[Sn](CCCC)(CCCC)c1ccnn1C(C)C
+CCCC[Sn](CCCC)(CCCC)c1ncc(cc1)C
+CCCC[Sn](CCCC)(CCCC)c1nccs1
+CCCC[Sn](CCCC)(CCCC)c1ncn(C)c1
+CCCC[Sn](CCCC)(CCCC)c1occn1
+CCCI
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+CCCNC1CCc2c(C1)sc(N)n2
+CCCOC(=O)Cl
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+CCCc1cccnc1
+CCI
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+CCN(CC)C1CNCC1
+CCN(CC)CCBr
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+CCN(CC)CCCNC(=O)c1c([nH]c(C=O)c1C)C
+CCN(CC)CCCO
+CCN(CC)CCO
+CCN(CC)c1ccc(cc1)Nc2nc(Cl)ccc2C(=O)N
+CCN(CCO)c1cc(ccc1)NC(C)=O
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+CCN1c2cc(NC(CC#N)=O)ncc2C=C(C1=O)c3c(F)cc(c(c3)N)F
+CCN=C=S
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+CCOC(=O)C(N)CSCCCCCCC
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+CCOC(=O)C(c1ccncc1[N+](=O)[O-])C#N
+CCOC(=O)C1CCCC1=O
+CCOC(=O)C=1C(N(c2c(cccc2)N=1)CCO)=O
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+CCOC(=O)C=C
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+CCOC(=O)C=Cc1c(CBr)cccc1
+CCOC(=O)C=Cc1cc(Cl)c(NCCN)nc1
+CCOC(=O)C=Cc1ccc(OC)cc1OC
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+CCOC(=O)CBr
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+CCOC(=O)CCc1cc(cc(CCC(O)=O)c1)Cc2cnccc2
+CCOC(=O)CN
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+CCOC(=O)COc1cccnc1CN
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+CCOC(=O)c1c(N=[N+]=[N-])c2c(cccc2)nc1
+CCOC(=O)c1c(c2CCCCc2nc1Cl)Cl
+CCOC(=O)c1c(sc2CN(CCc12)C)N=COCC
+CCOC(=O)c1ccccc1O
+CCOC(=O)c1cn2CCNCc2n1
+CCOC(=O)c1cnc2c(c(F)c(cc2c1O)F)F
+CCOC(=O)c1csc(-c2ccnn2C)n1
+CCOC(=O)c1csc(Br)n1
+CCOC(=O)c1csc(CBr)n1
+CCOC(=O)c1csc(N)n1
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+CCOC(=O)c1nc(C)cs1
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+CCOC(C1=C2N(CCC2)C(C(=C1Cl)Cl)=O)=O
+CCOC(C1=CCN(CC1)C)=O
+CCOC(C1=CN(C(C=C1Cl)=O)C)=O
+CCOC(C1CCCNC1)=O
+CCOC(C=[N+]=[N-])=O
+CCOC(CCBr)=O
+CCOC(CCCBr)=O
+CCOC(CCCN)=O
+CCOC(CCC[Zn+])=O
+CCOC(CCN)=O
+CCOC(CCS)=O
+CCOC(CC[Zn]Br)=O
+CCOC(CCl)=O
+CCOC(Cc1ccncc1[N+](=O)[O-])=O
+CCOC(Cc1csc(N)n1)=O
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+CCOC(c1[nH]cc(C)c1)=O
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+CCOC(c1c(C)nccc1)=O
+CCOC(c1c(C)onc1-c2ccncc2F)=O
+CCOC(c1c(C)onc1-c2ccncn2)=O
+CCOC(c1c(Cl)nc(SC)nc1)=O
+CCOC(c1c(Cl)nccc1)=O
+CCOC(c1c(I)n[nH]c1)=O
+CCOC(c1c(O)c2c(nc1)c(C)c(C=O)s2)=O
+CCOC(c1c(c(ccc1)Sc2c([nH]c3c(c(Cl)ccc23)F)Cl)F)=O
+CCOC(c1c(n[nH]c1)[N+](=O)[O-])=O
+CCOC(c1c2OCCCn2nc1)=O
+CCOC(c1c2c(n[nH]c2)nc(Br)c1)=O
+CCOC(c1c2c(n[nH]c2)nc(O)c1)=O
+CCOC(c1c2n(c(CCOC)c1)cccc2Cl)=O
+CCOC(c1c2n(nc1)ccc(Cl)n2)=O
+CCOC(c1cc(c(Cl)nc1)[N+](=O)[O-])=O
+CCOC(c1cc2cccnc2[nH]1)=O
+CCOC(c1cc[nH]c1C)=O
+CCOC(c1ccc[nH]1)=O
+CCOC(c1cccs1)=O
+CCOC(c1ccn2CCOCc12)=O
+CCOC(c1ccnc(Cl)c1)=O
+CCOC(c1ccnc(Cl)c1C)=O
+CCOC(c1cn[nH]c1)=O
+CCOC(c1cnn2-c3c(cccc3)NC(c12)=O)=O
+CCOC(c1sc(N)nc1)=O
+CCOC=C
+CCOC=O
+CCOCC
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+CCOP(OCC)(=O)C(P(OCC)(OCC)=O)CCCO
+CCOP(OCC)(=O)C1N(C(NC1=O)=O)C
+CCOP(OCC)(=O)Cc1c2c(cccc2)ncc1
+CCOP(OCC)(=O)c1c(I)scc1
+CCOP(OCC)(=O)c1ccc(cc1)F
+CCOP(OCC)(C1C(=O)NC(N1)=O)=O
+CCOP(OCC)(CC(=O)O)=O
+CCOP(OCC)(Cl)=O
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+CCOc1c(c(C(OCC)=O)c(c2ccccc12)OCC)C(=O)O
+CCOc1c2c(CC(=O)O)c[nH]c2c(Cl)cc1F
+CCOc1cccnc1CCl
+CCOc1ccnc(Br)c1
+CCS
+CCSCCC(=O)Cl
+CC[Mg+]
+CC[Mg]Br
+CC[N+](=O)[O-]
+CC[O+](CC)CC
+CC[Si](CC)(CC)C#CCCCC1(CCC(CC1)(c2ccccc2)N(C)C)O
+CC[Si](CC)(CC)Cl
+CC[Si](CC)(CC)OC1(C(F)(F)F)CC2CCCc3cc4c(cc3C2(C=O)CC1)cnn4-c5ccc(cc5)F
+CCc1c(C)nc(Cl)c(c1)C(=O)OC
+CCc1c(C)nc(O)c(c1)[N+](=O)[O-]
+CCc1c(n(C)nc1)-c2csc(c2)C(=O)OC
+CCc1cc(N)no1
+CCc1cc([N+](=O)[O-])c(cc1CC)N
+CCc1cccc(CC)c1C(O)=O
+CCc1cccc(CC)c1N=C=O
+CCc1cn2c(c(C(=O)O)cc(Cl)c2N)n1
+CCc1csc(N)n1
+CCc1noc(CCl)n1
+CCn1c(N)ccn1
+CI
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+CN(C)C(=O)C(O)=O
+CN(C)C(=O)c1cc(O)c2c(n(C)c(C)n2)c1
+CN(C)C(=O)c1coc2c1cc(cc2)Br
+CN(C)C(C(C)Oc1cccc2c1c(O)ncn2)=O
+CN(C)C(C1C(c2ccc(cc2)Br)C1)=O
+CN(C)C(CCl)=O
+CN(C)C(Cl)=O
+CN(C)C(Cl)=S
+CN(C)C(N(C)C)C(OC)C#N
+CN(C)C(N(C)C)OC(C)(C)C
+CN(C)C(N)=S
+CN(C)C(N1CCc2c(nccc12)Cl)=O
+CN(C)C(OCC)OCC
+CN(C)C(c1oc2c(N3CCNCC3)cc(cc2c1)F)=O
+CN(C)C1(C)CCNC1
+CN(C)C1CCNCC1
+CN(C)C1CNC1
+CN(C)C1CNCC1
+CN(C)C=C(C#N)C(=O)c1ccccc1
+CN(C)C=C(C#N)C(=O)c1sc(nc1C)NC
+CN(C)C=C(C(C)=O)C(=O)OCC
+CN(C)C=C(C(OCC)=O)C(c1c(c(C#N)c(F)c(c1)F)F)=O
+CN(C)C=C(C(OCC)=O)c1ccc(cc1)C#N
+CN(C)C=C(C=O)c1c(cccc1)OC
+CN(C)C=C([N+]#[C-])C(=O)OCC
+CN(C)C=C(c1cn2c(ncc2)cc1)C(C)=O
+CN(C)C=C(n1nncc1)C(=O)OCC
+CN(C)C=C1C(=O)CCCC1=O
+CN(C)C=C1CCCc2[nH]cc(c2C1=O)C(=O)OCC
+CN(C)C=CC(=O)c1cc(ccc1)C(=O)OC
+CN(C)C=CC(=O)c1ccnc2ccc(C#N)cc12
+CN(C)C=CC(=O)c1ccncc1
+CN(C)C=CC=O
+CN(C)C=Cc1c(Br)cnc(OC)c1[N+]([O-])=O
+CN(C)C=NS(=O)(=O)c1c(Cl)ccc(c1)C(c2ccc(c(c2Cl)Cl)O)=O
+CN(C)C=Nc1cc(sc1C(OC)=O)-c2ccc(cc2)Cl
+CN(C)C=Nc1nc(sc1C#N)SC
+CN(C)C=O
+CN(C)CC#C
+CN(C)CC(O)=O
+CN(C)CC(O)CO
+CN(C)CC(O)S(=O)(=O)O
+CN(C)CC1Cc2ccc(N)cc2CC1
+CN(C)CC=CC(O)=O
+CN(C)CCCC(=O)O
+CN(C)CCCC1c2c(CCc3ccccc13)cc(O)cc2
+CN(C)CCCCN
+CN(C)CCCCl
+CN(C)CCCN
+CN(C)CCCO
+CN(C)CCCc1c2c([nH]c1)CCCC2
+CN(C)CCCl
+CN(C)CCN
+CN(C)CCN1CCOc2c1cc3NCCCc3c2
+CN(C)CCN1c2c(cc(cn2)Br)C(=O)C(C(OCC)=O)=C1
+CN(C)CCNC
+CN(C)CCNC(=O)c1cccc2nc3c(c4ccc(OC)cc4cc3)nc12
+CN(C)CCNc1c2c(c(Br)ccc2)ccn1
+CN(C)CCO
+CN(C)CCOc1c([N+](=O)[O-])cc(cc1)Br
+CN(C)CCOc1cc2cc(C(O)=O)[nH]c2cc1
+CN(C)CCS
+CN(C)CCc1cc(Br)ccc1OC
+CN(C)CCc1ccc(cc1)N
+CN(C)CCc1nnc(n1-c2ccc(F)cc2C(c3ccccc3Cl)=O)CO
+CN(C)CN(C)C
+CN(C)Cc1cncc(Br)c1
+CN(C)Cc1nc(CO)ccc1
+CN(C)S(=O)(=O)N
+CN(C)S(=O)(=O)c1ccc(Br)cc1C(O)=O
+CN(C)c1c(O)c2CCNCc2cc1
+CN(C)c1c2cccc(S(=O)(=O)Cl)c2ccc1
+CN(C)c1cc(C(Cl)=O)ccc1
+CN(C)c1cc(ccc1)CO
+CN(C)c1cc(ccn1)C(O)=O
+CN(C)c1cc(ncn1)Cl
+CN(C)c1cc2c(cc1)C(OC2)=O
+CN(C)c1ccc(cc1)C=O
+CN(C)c1ccc(cc1)CN
+CN(C)c1ccc(cc1[N+]([O-])=O)N=C(N)N
+CN(C)c1cccc(N(C)C)c1
+CN(C)c1cccc(N)c1
+CN(C)c1cccc(c1)-c2c3n(nc(n3)N)ccc2
+CN(C)c1ccccc1C=O
+CN(C)c1n(Cc2ccccc2F)nc(C(=O)OCC)c1
+CN(C)c1nc(ccc1C#N)Oc2ccc(c(C=O)c2)Br
+CN(C)c1oc2c(n1)cc(cc2)Oc3cc4c(nc(C(=O)OCCCC)c(c4cc3)O)O
+CN1C(CCCC1)CCc2c(N)cccc2
+CN1C(NC(C(=C1)C)=O)=O
+CN1C=C(Br)C=C(C1=O)Br
+CN1c2ccccc2C(N)=C(C1=O)N
+CN=C=S
+CNC
+CNCCCCC=C
+CNCCc1ccc(c(OC)c1)OC
+CO
+COC(=O)C(C(=O)OC)=COC
+COC(=O)C=Cc1ccccc1I
+COC(=O)c1c(cccc1I)C(OC)=O
+COC(C#CC(OC)=O)=O
+COC(C(=O)OC)=O
+COC(OC)(C)C
+COC(OC)(N(C)C)C
+COC(OC)(OC)CCC
+COC(OC)C(=O)C
+COC(OC)C=C
+COC(OC)CC(OC)OC
+COC(OC)CCBr
+COC(OC)CN
+COC(OC)CN1c2c(ccc(n2)OC)N=CC1=O
+COC(OC)CNC(=O)OCC
+COC(OC)c1c([N+]([O-])=O)ccc(Oc2cccc(N)c2)c1
+COC(OC)c1nc2c(cc1C=O)CCCN2
+COC1CNC(C(OC)=O)C1
+COC=1C(OC(C=1)=O)=O
+COCCOC
+CON
+COP(OC)(=O)C
+COP(OC)(=O)C(OC)C(OC)=O
+COP(OC)(=O)CC(OC)=O
+COP(OC)OC
+COc1[nH]c(nn1)Br
+COc1c(C(=O)OC)cc(cc1C)Br
+COc1c(C(=O)OC)cc(cn1)F
+COc1c(C=O)c(cc(c1OC)OC)C
+COc1c(Cl)cc(c(c1)C(=O)O)F
+COc1c(F)cc2[nH]c(c(CCN)c2c1)C(=O)O
+COc1c(F)ccc(C(C)N)c1
+COc1c(F)cccc1Br
+COc1c(F)cccc1C(=O)O
+COc1c(O)cc2c(c(ncn2)Cl)c1
+COc1c(OC)c(cc2c1ccc(c2)C(O)=O)OC
+COc1c(OC)cc(C=Cc2[nH]c3c(n2)C(=O)N(CCC)C(N3CCC)=O)cc1
+COc1c(c(Cn2cc(I)c3c(nc(nc23)N)Cl)ncc1C)C
+COc1c(cc(F)c(CC(OC)=O)c1)C#N
+COc1c(cc(OC)cc1)CCN
+COc1c(cc2c(c(C)nnc2O)c1)OC
+COc1c(cc2ncc(C#N)c(c2c1)Cl)F
+COc1c(cccc1)[Mg]Br
+COc1c2[nH]ccc2ccc1
+COc1c2c(c(Cl)nc1)[nH]cc2C(=O)C(O)=O
+COc1c2nc(nc(Cl)c2ccc1C)Cl
+COc1cc(C)ccc1O
+COc1cc(CBr)cc(Cl)n1
+COc1cc(Cl)c(C#N)cc1Br
+COc1cc(OCOC)c(cc1)C(=O)O
+COc1cc([N+]([O-])=O)ccc1C
+COc1cc([N+]([O-])=O)ccc1C(=O)O
+COc1cc([N+]([O-])=O)ccc1Cl
+COc1cc([N+]([O-])=O)ccc1F
+COc1cc([N+]([O-])=O)ccc1O
+COc1cc(c(Cl)cc1)-c2cc(C)c3nc(N)nnc3c2
+COc1cc(cc(OC)c1)C=C[N+]([O-])=O
+COc1cc(cc(OC)c1)N=C=S
+COc1cc(cc(OC)c1)NC(=N)SC
+COc1cc(cc(OC)c1O)C2c3c(cc4OCOc4c3)C(N=[N+]=[N-])C5C(=O)OCC25
+COc1cc(cc(OC)c1OC)C(=O)Cl
+COc1cc(cc(OC)c1OC)C(O)=O
+COc1cc(ccc1C(=O)O)F
+COc1cc2C(C#N)=Cc2cc1
+COc1cc2CC(=O)CCc2cc1
+COc1cc2OCC(c2cc1)=O
+COc1cc2c(C(C(=O)O)CC2)cc1
+COc1cc2c(Sc3cccc(c3CC2=O)C#N)cc1
+COc1cc2c(cc1)C(C(CC(=O)O)C2)=O
+COc1cc2c(cc1)cccc2C(O)CN
+COc1cc2c(cc1)nc(O)cc2C
+COc1cc2c(cc1)nc(cc2C)Cl
+COc1cc2c(nc(nc2Cl)Cl)cc1
+COc1cc2c[nH]nc2cc1Br
+COc1cc2nnc(c(c2cc1Br)Nc3c(F)cc(C)cc3)C(=O)N
+COc1ccc(Br)c(c1)C(=O)O
+COc1ccc(C(=O)C)c(c1)O
+COc1ccc(C(=O)O)c([N+]([O-])=O)c1
+COc1ccc(CC(OC)=O)c(C)c1
+COc1ccc(Cl)c(c1)CC(=O)O
+COc1ccc(Nc2n(CC)ncc2)c(c1)C(=O)O
+COc1ccc([N+]([O-])=O)c(c1)C(=O)O
+COc1ccc(c(C#N)c1)F
+COc1ccc(c(C)c1)Br
+COc1ccc(c(C)c1)C(=O)O
+COc1ccc(c(C)c1)[N+]([O-])=O
+COc1ccc(c(S)c1)C(=O)O
+COc1ccc(c([N+]([O-])=O)c1)Br
+COc1ccc(c([N+]([O-])=O)c1)O
+COc1ccc(cc1OC)-c2c3c(cc(OC)c(OC)c3)nc(C)c2C(=O)C
+COc1ccc2CCCC(N)c2c1
+COc1ccc2c(c1)C(C(OC)=O)CNC2
+COc1ccc2c(c1)C(CC2)C(OC)=O
+COc1ccc2c(c1)C=CC2=O
+COc1ccc2cc[nH]c2c1
+COc1cccc(-c2c(c(sc2)N)C#N)c1
+COc1cccc(C#N)c1
+COc1cccc(C(CBr)=O)c1
+COc1cccc(C(Cl)=O)c1
+COc1cccc(C)c1C
+COc1cccc(CBr)c1
+COc1cccc(CC#N)c1
+COc1cccc(CCBr)c1
+COc1cccc(CO)c1
+COc1cccc(Cl)c1Cl
+COc1cccc(Cl)c1F
+COc1cccc(F)c1C#N
+COc1cccc(I)c1
+COc1cccc(NC(C)=O)c1
+COc1cccc(O)c1
+COc1cccc(c1)C#C
+COc1cccc(c1)C(=O)C
+COc1cccc(c1)CC2C(CCCC2)=O
+COc1cccc(c1)CCN
+COc1cccc(c1)CCO
+COc1cccc(c1)CCl
+COc1cccc(c1)N=C=O
+COc1cccc(c1Br)C(=O)O
+COc1cccc(c1C)NC(CCl)=O
+COc1cccc2c(O)nc(C)nc12
+COc1cccc2c1CCCC(=O)C2
+COc1cccc2c1nccc2O
+COc1cccc2sncc12
+COc1cnc(C)cc1
+COc1nc(CO)c(cc1)Br
+COc1nc(CO)ccc1
+COc1nc(nc(OC)c1)Cl
+COc1nc2c(C(NCC2)=O)cc1
+COc1nc2c(nccc2C=C)cc1
+COc1nnc(-n2nc(cc2-c3ccc(cn3)C#N)C(=O)OC)cc1
+CS(C)=O
+CS(O)=O
+CSC
+CSC(SC)=C(C(N)=O)C#N
+CSC(SC)=C[N+]([O-])=O
+CSSC
+C[Mg]Cl
+C[N+](C)(C)Cc1c2c(cccc2n(C)c1)C
+C[O+](C)C
+C[PH](C)=O
+C[S+](C)(C)=O
+C[S+](C)CCCl
+C[Si](C)(C)Br
+C[Si](C)(C)C#C
+C[Si](C)(C)C#CC(O)(CC1=CC(=O)OC(C)(C)O1)C2CCCC2
+C[Si](C)(C)C#CC(O)c1c(C#Cc2ccccc2)cccc1
+C[Si](C)(C)C#CC1CCCCC1
+C[Si](C)(C)C#CCCCCC(=O)Cl
+C[Si](C)(C)C#Cc1c2c(-c3ccccc3)noc2c(c(n1)C(OCC)=O)O
+C[Si](C)(C)C#Cc1cc(c(C(=O)OC(C)C)cc1)CN(C)C2CC2
+C[Si](C)(C)C#Cc1cc(c(OC(C)C)cc1)C(=O)OC
+C[Si](C)(C)C#Cc1ccc(cc1)C2=C(C(=C(C#N)C#N)OC2(C)C)C#N
+C[Si](C)(C)C#Cc1ccc(cc1)OCCCCCC
+C[Si](C)(C)C#Cc1ccc(cc1)OCCO
+C[Si](C)(C)C#Cc1ccc(nc1)NCC2CC2
+C[Si](C)(C)C#Cc1cccc(-c2n(nc3c2cccc3C(F)(F)F)Cc4c(cc(cc4F)F)F)c1
+C[Si](C)(C)C#Cc1cccc(Br)c1
+C[Si](C)(C)C#Cc1cccc(C#N)c1
+C[Si](C)(C)C#Cc1ccccc1
+C[Si](C)(C)C#Cc1ccccc1N
+C[Si](C)(C)C#Cc1ccnc(c1)C
+C[Si](C)(C)C#Cc1n2c(cccn2)nc1
+C[Si](C)(C)C#Cc1nn(c(N2CCCC2)n1)C
+C[Si](C)(C)C#N
+C[Si](C)(C)C=[N+]=[N-]
+C[Si](C)(C)CC=C
+C[Si](C)(C)CCO
+C[Si](C)(C)CCOC(Cl)=O
+C[Si](C)(C)CCOCCl
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2ncc(c2nc(c1)C=O)-c3cnc4c(cccc4)c3
+C[Si](C)(C)CCOCN1C(C(CCC1)(CC#C)NC(=O)OC(C)(C)C)=O
+C[Si](C)(C)CCOCOc1c2c(cccc2)cc(CO)c1
+C[Si](C)(C)CCOCOc1ccc(C(=N)NO)c2occc12
+C[Si](C)(C)CCOCn1c(-c2ccc(cc2)O)nc3N=CN(C(=O)c13)CCC
+C[Si](C)(C)CCOCn1c(nc(C#N)c1)C(O)=O
+C[Si](C)(C)CCOCn1c(nc2c1c(O)nc(Cl)n2)C3CCCC3
+C[Si](C)(C)CCOCn1c2c(c3c1cnc(C#N)c3)cc(cn2)N
+C[Si](C)(C)CCOCn1c2c(nc(Br)c(n2)C)c(C(O)=O)c1
+C[Si](C)(C)CCOCn1c2cc(ccc2c(n1)C(=O)OC)Br
+C[Si](C)(C)CCOCn1c2ncc(nc2c(c1)C(=O)C(C)(C)C)Br
+C[Si](C)(C)CCOCn1c2ncc(nc2c(c1)C(O)=O)C3CC3
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C(C)(C)CC(=O)OCC)c3)c2cc1
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(C3=CCCCC3)cc(C4CCNCC4)cc2
+C[Si](C)(C)CCOCn1cc(C(NC(CC(O)=O)C)=O)c2c1ncc(C3CC3)n2
+C[Si](C)(C)CCOCn1cc(c2c(ncnc12)Cl)-c3cc(ccc3)C#N
+C[Si](C)(C)CCOCn1cc(c2nc(-c3nn(C)c4cc(F)ccc34)cnc12)C=O
+C[Si](C)(C)CCOCn1cc(c2nc(Br)cnc12)C=O
+C[Si](C)(C)CCOCn1cc(nc1-c2c(Cl)cc(Br)cc2)C(F)(F)F
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(C(CN4CCN(CC4)C(OCc5ccccc5)=O)C)nc3)ncnc12
+C[Si](C)(C)CCOCn1ccc2c(NC3C(C)CCCC3)c(cnc12)C(=O)O
+C[Si](C)(C)CCOCn1ccc2c(ccnc12)Cl
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C4CCC(CC4)CO)nc3
+C[Si](C)(C)CCOCn1ccc2c1ncnc2-c3c[nH]nc3
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CO[Si](C)(C)C(C)(C)C)=O)cnc12
+C[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1
+C[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1-c2cc3C4(CC4)C(N(c5c(c(OC)cc(c5F)OC)F)Cc3cn2)=O
+C[Si](C)(C)CCOCn1ncc2cc(I)ccc12
+C[Si](C)(C)CN
+C[Si](C)(C)CN(COC)Cc1ccccc1
+C[Si](C)(C)CN(Cc1ccccc1)COCCCC
+C[Si](C)(C)CNC(c1ccc(-n2ncnc2)c(c1)C#N)=O
+C[Si](C)(C)Cl
+C[Si](C)(C)N=C=N[Si](C)(C)C
+C[Si](C)(C)N=C=O
+C[Si](C)(C)N=[N+]=[N-]
+C[Si](C)(C)N[Si](C)(C)C
+C[Si](C)(C)OC(OC)=C(C)C
+C[Si](C)(C)OC(c1nc(C)sc1)C#N
+C[Si](C)(C)OC1(CC1)OCC
+C[Si](C)(C)OC1(CCSc2ccc(Cl)cc12)C#N
+C[Si](C)(C)OCC1OC(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=O
+C[Si](C)(C)ON
+C[Si](C)(C)OS(=O)(=O)C(F)(F)F
+C[Si](C)(C)c1c(F)cnc([Zn+])c1F
+C[Si](C)(C)c1c(nnc(Cl)c1)Cl
+C[Si](C)(C)c1cc(F)c(cc1)NC2=C(C(N3C(=C2[N+]([O-])=O)SCC3)=O)C
+C[Si](C)(C)c1cc(c(cc1)NC2=C(C(=O)N3C(OCC3)=C2[N+]([O-])=O)C)F
+C[Si](C)(C)c1cc(ccc1)C#C
+C[Si](C)(C)c1cc2n(c(C(O)=O)cc2cc1)Cc3cccc(c3)F
+C[Si](C)(C)c1ccc([N+](=O)[O-])c(F)c1
+C[Si](C)(C)c1ccc(cc1)C=C(c2cc(C)[nH]n2)F
+C[Si](C)(C)c1ccc(cc1)C=O
+C[Si](C)(C)c1ccc(cc1)[N+](=O)[O-]
+C[Si](C)(CCl)Cl
+C[Sn](C)(C)C
+C[Sn](C)(C)N=[N+]=[N-]
+C[Sn](C)(C)c1ccc(C2=NOC(C2)CO)s1
+C[Sn](C)(C)c1ccc(cc1)C=2CC(CO[Si](C)(C)C(C)(C)C)ON=2
+C[Zn]C
+Cc1[nH]c2c(n1)c(C)cc(C(=O)OC)n2
+Cc1c(-c2cc3ncc([N+]([O-])=O)c(c3cc2OC)Cl)c(C)on1
+Cc1c(-c2ccc3nc(n4C(COc2c34)c5ncccc5)Cl)c(C)on1
+Cc1c(-c2sc(c(C#N)c2-c3cccnc3)SC)cc(cc1)Nc4cc(O)ccc4
+Cc1c(C(C)C(OCC)=O)ccc([N+]([O-])=O)n1
+Cc1c(C(N)=S)c2n(cccc2)n1
+Cc1c(C)c([N+]([O-])=O)ccc1
+Cc1c(C)cco1
+Cc1c(CCC)c2n(ncn2)cn1
+Cc1c(CCCCCC)c(nc(n1)N)O
+Cc1c(Cl)nnc(N)c1C
+Cc1c(N=C=O)c(C)on1
+Cc1c(O)nc2c(cccc2Cl)n1
+Cc1c(c(-c2cc(C)c(cc2)Br)on1)C(=O)OC
+Cc1c(c(C(CC#C)N)ccc1)C
+Cc1c(c(C)on1)-c2c(C)c(nc(-c3cc(ccc3Cl)O)n2)NC4CCNC(C)C4
+Cc1c(c(Cl)cc(C)n1)[N+]([O-])=O
+Cc1c(c(Cl)nc(Cl)n1)C
+Cc1c(c(Cl)nc(Cl)n1)[N+]([O-])=O
+Cc1c(c([N+]([O-])=O)ccc1)Br
+Cc1c(c(c(C#N)c(O)n1)C)F
+Cc1c(c(c2cc(C#N)ccc2n1)Cl)C(=O)OC
+Cc1c(cc(C#N)c(O)n1)C(=O)C
+Cc1c(cc(C(=O)N)c(O)n1)C(=O)C
+Cc1c(cc2c(ccc(c2)Br)n1)C(=O)OCC
+Cc1c(cc2ccc(cc2n1)OC)C(=O)O
+Cc1c(cc2ccccc2c1)C=O
+Cc1c(ccc(C#N)c1)Br
+Cc1c(ccc(c1)O)Br
+Cc1c(cccc1)-c2c(ccc(N)c2C)SC#N
+Cc1c(cccc1)-c2nc(nc3CCNCc23)Cl
+Cc1c(nc2c(cccc2-c3cc4c(CCNC4=O)[nH]3)n1)F
+Cc1c(sc(C)n1)C(CBr)=O
+Cc1c(sc(C)n1)CNc2nc(SC)nc(Cl)c2C
+Cc1c2[nH]ccc2ccc1
+Cc1c2c(O)nc(CCC)nc2on1
+Cc1c2c([nH]cc2)c(cc1)[N+]([O-])=O
+Cc1c2c([nH]cc2)ncn1
+Cc1c2c(nc(Br)cc2C(=O)OCC)n(C3CCCCO3)n1
+Cc1c2cc(ccc2[nH]n1)Br
+Cc1c2ccc(N3CC(CO)OC3=O)cc2on1
+Cc1c2cccn2ccn1
+Cc1c2nc(C3C(C(C(Br)C)=O)C3)nn2c(C)cn1
+Cc1cc(C#N)cc(c1)-c2onc(n2)-c3ncccc3
+Cc1cc(C)c(C(=O)OC)cc1
+Cc1cc(C)c(Cl)cc1
+Cc1cc(C)c(cc1)C(=O)O
+Cc1cc(C)cc(C)c1
+Cc1cc(C)n[nH]1
+Cc1cc(CBr)ccc1
+Cc1cc(CCl)c(C)cc1CCl
+Cc1cc(CO)ccc1
+Cc1cc(I)ccc1
+Cc1cc(N)c(cc1C)N
+Cc1cc(N=C=O)ccc1
+Cc1cc(OC)ccc1OC
+Cc1cc(c(C)cc1)O
+Cc1cc(c(Cl)cc1)O
+Cc1cc(c(F)cc1)O
+Cc1cc(c(cc1OCCC=C)Br)C
+Cc1cc(cc(C)c1)-c2c(C(C)CN)c3c(c(cc(c3)C(C)(C)C(OCC)=O)Br)[nH]2
+Cc1cc(cc(C)c1)C=O
+Cc1cc(cc(C)c1)Nc2c(C(OCC)=O)nnc(c2)Cl
+Cc1cc(cc(C)c1-n2c(C)nc3c(cc(nc23)C)N)C
+Cc1cc(cc(C)c1-n2cnc3c2nc(C)cc3N)C
+Cc1cc(cc(C)c1Br)N2C(NC(C2(C)C)=O)=O
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)=O)NC
+Cc1cc(cc(C)c1CC#N)Cl
+Cc1cc(cc(C)c1CC(=O)O)Br
+Cc1cc(cc(C)c1Cl)O
+Cc1cc(cc(C)c1Cl)[N+](=O)[O-]
+Cc1cc(cc(C)c1N)C
+Cc1cc(cc(C)c1Nc2nc3cc(cc([N+](=O)[O-])c3s2)C(=O)OC)C
+Cc1cc(cc(C)c1O)C
+Cc1cc(cc(C)c1O)C#N
+Cc1cc(cc(C)c1O)CC#N
+Cc1cc(cc(C)c1Oc2c(c(nc(Cl)n2)C)[N+](=O)[O-])Br
+Cc1cc(cc(C)c1Oc2nc(cc(NC(CC)CC)c2C)C)Br
+Cc1cc(cc(C)c1[N+](=O)[O-])C
+Cc1cc(cc(C)c1[N+](=O)[O-])C(O)=O
+Cc1cc(cc(C)n1)CO
+Cc1cc(ccc1)CCO
+Cc1cc(ccc1)O
+Cc1cc(ccc1C(=O)C)O
+Cc1cc(ccc1N=C=O)C(=O)OC
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(n(C)n4)C(=O)OCC)C
+Cc1cc(nc(Br)c1)N
+Cc1cc2C(OC(=O)c2cc1)=O
+Cc1cc2c([N+]([O-])=O)cccc2[nH]1
+Cc1cc2c([nH]1)ccc([N+]([O-])=O)c2
+Cc1cc2c([nH]1)ccc(c2)F
+Cc1cc2c(cccc2[nH]1)OC
+Cc1ccc(-c2cnn(C)c2)c(C(=O)OC)c1
+Cc1ccc(Br)c(C(=O)O)c1
+Cc1ccc(C)c2C(=O)CCCc12
+Cc1ccc(C)n1-c2cc3CCCCn3n2
+Cc1ccc(F)c(Br)c1
+Cc1ccc([N+]([O-])=O)c(C(=O)O)c1
+Cc1ccc([N+]([O-])=O)c(F)c1
+Cc1ccc(c(Cl)c1)C(=O)O
+Cc1ccc(c(Cl)c1)[N+]([O-])=O
+Cc1ccc(cc1F)C#N
+Cc1ccc2Oc3ccc(C)cc3CC(c2c1)=O
+Cc1ccc2c(ccc(Cl)n2)c1
+Cc1ccc2n[nH]cc2c1
+Cc1cccc(C(=O)C)c1I
+Cc1cccc(C)c1Br
+Cc1cccc(C)c1C(CO)C#N
+Cc1cccc(C)c1N
+Cc1cccc(C)c1N(CC(O)C)S(=O)(=O)C
+Cc1ccccc1-c2c(ccc3CC(CO)Oc23)F
+Cc1ccccc1-c2cscc2
+Cc1ccccc1-c2nnsc2
+Cc1ccn2ccnc2c1
+Cc1ccsc1C
+Cc1n(c(C)nc1I)-c2ccnc(Cl)c2
+Cc1n[nH]c2cc(ccc12)Br
+Cc1nc(-c2cc(F)ccc2)ncc1C(=O)OCC
+Cc1nc(CCCC)nc(O)c1C
+Cc1nc(Cl)c(c(Cl)c1C)[N+]([O-])=O
+Cc1nc(Cl)c(c(NCCOCCCc2cnccc2)c1C)[N+]([O-])=O
+Cc1nc(Cl)c(c(c1Cl)C)C#N
+Cc1nc(Cl)nc(N)c1[N+]([O-])=O
+Cc1nc(N)nc(NCCCCC)c1Cc2ccc(CC#N)cc2F
+Cc1nc(N2CCC(N3C(C)CCC3)C2)ccc1[N+]([O-])=O
+Cc1nc(O)cc(C)c1Br
+Cc1nc(O)ccc1Br
+Cc1nc(cc(Cl)c1C#N)Cl
+Cc1nc(ccc1Br)Cl
+Cc1nc(ccc1F)Br
+Cc1nc(ccc1[N+]([O-])=O)Cl
+Cc1nc(nc(C)c1)Cl
+Cc1nc(nc(C)c1)NCCCCCN
+Cc1nc2c(C(NC(=O)N2C)=O)[nH]1
+Cc1nc2c(c(cc(c2)Br)[N+]([O-])=O)[nH]1
+Cc1nc2c(cc3c(CC4(c5cccnc5NC4=O)C3)c2)cc1
+Cc1nc2ccc(Cl)cc2cc1C
+Cc1nc2ccc(F)cc2n3cnc(C)c13
+Cc1nc2nc(SC)ncc2cc1-c3c(cc(F)c(N)c3)Br
+Cc1ncc(C(OC)=O)c(Cl)c1Cl
+Cc1ncc(C)c(OC)c1Cl
+Cc1ncc(C)cc1C
+Cc1ncc(cc1C)Cc2c(nc(N[N+]([O-])=O)nc2)O
+Cc1nccn2cc(-c3ccc(cc3F)F)nc12
+Cc1nn(cc1Nc2c([N+]([O-])=O)cnc3ccc(cc23)Br)C
+Cc1nnnn1C
+Cc1oc2cc(N)ccc2c1C(NC)=O
+Cc1oc2cc(ccc2c1C(NC)=O)O
+Cc1onc(-c2ncccc2)c1C(=O)OCC
+Cc1onc(c1C(=O)OCC)-c2cc(F)ccc2
+Cc1onc2-c3c(Cl)cccc3N(C4CCCNC4)C(c12)=O
+Cl
+ClC(=O)CC(Cl)=O
+ClC(=O)CC(OC)=O
+ClC(Cl)(Cl)C(=N)OCC=C
+ClC(Cl)(Cl)C(=O)N1CCN(CC1)c2c(ccc(c2)S(=O)(=O)Cl)OC
+ClC(Cl)(Cl)C(Cl)(Cl)Cl
+ClC(Cl)(Cl)C(Cl)=O
+ClC(Cl)(Cl)C(N)=N
+ClC(Cl)(Cl)C(N=C=O)=O
+ClC(Cl)(Cl)C(O)O
+ClC(Cl)(Cl)C(OCc1ccc(cc1)Br)=N
+ClC(Cl)(Cl)C(OCc1ccc(cc1)OC)=N
+ClC(Cl)(Cl)C(OCc1ccccc1)=N
+ClC(Cl)(Cl)CCCl
+ClC(Cl)(Cl)COC(=O)Cl
+ClC(Cl)(Cl)COC(=O)Nc1cccnc1
+ClC(Cl)(Cl)COC(=O)Nc1noc(C(C)(C)C)c1
+ClC(Cl)(Cl)Cc1c2c(cnc(C)c2)ccc1Cl
+ClC(Cl)(Cl)Cl
+ClC(Cl)(Cl)OC(Cl)=O
+ClC(Cl)(Cl)OC(OC(Cl)(Cl)Cl)=O
+ClC(Cl)(Cl)c1n(CCCCOC)c2c(ccc(F)c2)n1
+ClC(Cl)(Cl)c1nc2ccccc2[nH]1
+ClC(Cl)=C(Cl)c1cc(C)cc(C)c1
+ClC(Cl)=C(Cl)c1cccc(OC)c1
+ClC(Cl)=C1C2CCC1c3c(cccc23)Br
+ClC(Cl)=CCCl
+ClC(Cl)=CCON
+ClC(Cl)=CCOc1cc(Cl)c(c(c1)Cl)OCCCOS(=O)(=O)C
+ClC(Cl)=O
+ClC(Cl)=S
+ClC(Cl)C(=O)C1C(C)(C)C1C(OCC)=O
+ClC(Cl)C(=O)O
+ClC(Cl)C(=O)OC
+ClC(Cl)C(=O)OCC
+ClC(Cl)Cl
+ClC(Cl)OC
+ClC(c1cccc(c1)F)=NO
+ClC1(Cl)C(Nc2cc(ccc2CC1)OC)=O
+ClC1(Cl)C2CCC(C2CC1=O)CCCCC(OC)CC
+ClC1(Cl)CC1(C)C(O)=O
+ClCC(CCl)=O
+ClCC(CCl)O
+ClCCCl
+ClCCN(CCCl)C
+ClCCN(CCCl)Cc1ccccc1
+ClCCN(CCCl)c1ccc(cc1)N
+ClCCl
+ClCI
+ClCN
+ClCc1nc(N)nc(O)c1
+ClCc1ncccc1
+ClCl
+ClI
+ClOCl
+ClP(Cl)(Cl)(Cl)Cl
+ClP(Cl)(Cl)=O
+ClS(Cl)=O
+Cl[Cu]Cl
+Clc1[nH]c2c(n1)cccc2
+Clc1[nH]cnc1
+Clc1c(Br)cc(cc1)O
+Clc1c(C(=O)N)cnc2c1ccs2
+Clc1c(C(=O)O)cc(c(Cl)n1)F
+Clc1c(C(=O)OC)cncc1
+Clc1c(C(Cl)=O)c(F)ccc1
+Clc1c(C)c([n+](cc1)[O-])C
+Clc1c(C)ccc(C#N)c1
+Clc1c(C)ccc(O)c1
+Clc1c(COc2cccnc2[N+]([O-])=O)c(Cl)c(F)cc1
+Clc1c(Cl)cc(Cl)c(c1)[N+](=O)[O-]
+Clc1c(Cl)cc(O)c(Cl)c1
+Clc1c(Cl)nccc1
+Clc1c(F)ccc(O)c1
+Clc1c(N=C=O)cccc1
+Clc1c(O)c(F)cc(c1)Br
+Clc1c(O)nc2ccc(cc2n1)C(=O)OC
+Clc1c(SC)ncc(Br)c1
+Clc1c([N+]([O-])=O)cc(C#N)cc1
+Clc1c([N+]([O-])=O)cc(C(CBr)=O)cc1
+Clc1c([N+]([O-])=O)cc(c(c1)O)F
+Clc1c([N+]([O-])=O)cc(cc1)C(=O)OC
+Clc1c([N+]([O-])=O)cc(cc1)O
+Clc1c(c(C(N)CC(=O)O)ccc1)Cl
+Clc1c(c(F)ccc1)CBr
+Clc1c(c(N=C=O)ccc1)Cl
+Clc1c(c([N+]([O-])=O)ccc1)F
+Clc1c(c(ccc1)C(=O)O)C
+Clc1c(c(ccc1)NN)F
+Clc1c(cc(-n2nccc2)cc1)C(N(OC)C)=O
+Clc1c(cc(I)c(n1)Cl)C#N
+Clc1c(cc(c(Cl)n1)F)C#N
+Clc1c(cc(cc1)S(O)=O)[N+]([O-])=O
+Clc1c(cc2c(Cl)ncnc2c1)Cl
+Clc1c(ccc(C)n1)C(=O)O
+Clc1c(ccc(O)c1)Br
+Clc1c(ccc(O)c1)C#N
+Clc1c(ccc(O)c1)C(=O)O
+Clc1c(cccc1)CC(O)=O
+Clc1c(ccnc1)C(=O)O
+Clc1c(ncc(C(=O)O)c1)NN
+Clc1c(ncc(O)c1)C(=O)C
+Clc1c2[nH]ccc2ccc1
+Clc1c2c(C(=O)CO2)ccc1
+Clc1c2c(Cl)nc(cc2ccc1)C#N
+Clc1c2c3c(CCNC3)[nH]c2ncc1
+Clc1cc(-c2cc(nn2-c3ncccc3)C(=O)N4CC(=O)NC4)cc(c1)F
+Clc1cc(-c2cc(nn2-c3ncccc3)C(=O)O)cc(c1)F
+Clc1cc(-c2cc3c(nc(N)[nH]3)cc2)cc(c1)F
+Clc1cc(-c2sc(cc2Br)C(=O)OCC)cc(c1)F
+Clc1cc(Br)c(N)c(Cl)c1
+Clc1cc(Br)c(cc1)C=O
+Clc1cc(Br)c(cc1)O
+Clc1cc(Br)c(nc1)Br
+Clc1cc(Br)ncc1[N+](=O)[O-]
+Clc1cc(C#N)c(cc1)[N+]([O-])=O
+Clc1cc(C#N)cc(C)c1O
+Clc1cc(C#N)cc(Oc2c(c(C)ccc2[N+]([O-])=O)F)c1
+Clc1cc(C#N)cc(Oc2c(ccnc2O)C)c1
+Clc1cc(C#N)cc(c1)F
+Clc1cc(C(=O)C)c(Cl)cc1
+Clc1cc(C(=O)C)c(cc1C)O
+Clc1cc(C(=O)OC)c(cc1)N=Cc2cc(ccc2)Br
+Clc1cc(C(Cl)=O)c(Cl)cc1
+Clc1cc(C(Cl)=O)c(cc1)[N+]([O-])=O
+Clc1cc(C)cc(c1)F
+Clc1cc(C2CNc3ccccc23)ccc1
+Clc1cc(CNN)c(O)c(I)c1
+Clc1cc(Cl)c(O)c(C=O)c1
+Clc1cc(Cl)c(O)c([N+]([O-])=O)c1
+Clc1cc(Cl)c(c(C)c1)O
+Clc1cc(Cl)nc(C(=O)OC)c1Br
+Clc1cc(Cl)nc(c1)N
+Clc1cc(Cl)nc2c1C(CCC2)=O
+Clc1cc(Cl)ncc1
+Clc1cc(F)c(cc1)Br
+Clc1cc(N)c(C(=O)OC)c(Cl)c1
+Clc1cc(N)c(S)cc1
+Clc1cc(N)c(c(Cl)c1)[N+]([O-])=O
+Clc1cc(N)c(cc1)C(=O)O
+Clc1cc(N)c(cc1)C=CC(OC)=O
+Clc1cc(N)c(cc1)O
+Clc1cc(N)c(cc1)[N+]([O-])=O
+Clc1cc(N=C=O)ccc1F
+Clc1cc(NC(C)=O)c(C(=O)OC)cc1
+Clc1cc(NN)cnc1
+Clc1cc(O)c(C=O)c(Cl)c1
+Clc1cc(O)c(cc1)C(=O)O
+Clc1cc(O)cc(OC)c1
+Clc1cc(OC)c(cc1)C(=O)O
+Clc1cc(S)c(cc1)C(=O)O
+Clc1cc(c(C)cc1)C(=O)O
+Clc1cc(c(Cl)cc1)O
+Clc1cc(c(I)cc1)C(=O)O
+Clc1cc(c(N)c([N+]([O-])=O)c1)I
+Clc1cc(c(N)c(c1)C(=O)O)Br
+Clc1cc(c(N)cc1)C#N
+Clc1cc(c(N)cc1)C(=O)N
+Clc1cc(c(N)cc1)C(=O)O
+Clc1cc(c(N)cc1)C(=O)OC
+Clc1cc(c(N)cc1)C(=O)c2cnc(C)cc2
+Clc1cc(c(N)cc1)F
+Clc1cc(c(N)cc1Cl)[N+]([O-])=O
+Clc1cc(c(OCC)c(c1)F)Br
+Clc1cc(c([N+](=O)[O-])cc1Cl)F
+Clc1cc(c(c(C(=O)OC)c1)Cl)OC
+Clc1cc(c(cc1)C#N)NC2=CC(CCC2)=O
+Clc1cc(c(cc1)C#N)O
+Clc1cc(c(cc1)C(=O)O)F
+Clc1cc(c(cc1)C=O)F
+Clc1cc(c(cc1)N)C(O)c2cccc3c2cccc3
+Clc1cc(c(cc1)O)C(=O)C
+Clc1cc(c(cc1)O)OC
+Clc1cc(c(cc1)Sc2cccs2)C(=O)O
+Clc1cc(c(cc1)[N+]([O-])=O)C(=O)O
+Clc1cc(c(cc1)[N+]([O-])=O)F
+Clc1cc(c2c(NCCO2)c1)C(=O)O
+Clc1cc(cc(Cl)c1)C(C)(C)C(=O)OC
+Clc1cc(cc(Cl)c1)C(O)=O
+Clc1cc(cc(Cl)c1)C=O
+Clc1cc(cc(Cl)c1)COC(=O)Cl
+Clc1cc(cc(Cl)c1)I
+Clc1cc(cc(Cl)c1)S(=O)(=O)C
+Clc1cc(cc(Cl)c1C(OC)=O)C#N
+Clc1cc(cc(Cl)c1C)[N+](=O)[O-]
+Clc1cc(cc(Cl)c1C2CC2)[N+](=O)[O-]
+Clc1cc(cc(Cl)c1CCCC(=O)O)Cl
+Clc1cc(cc(Cl)c1Cl)[N+](=O)[O-]
+Clc1cc(cc(Cl)c1N2C=3C(=C(N2)C(C)C)C(=O)N=C(Cc4ccc(cc4)N)N=3)Cl
+Clc1cc(cc(Cl)c1Nc2c3c(c(ncc3)OC)c4cc(ccc4n2)Br)-c5ccn[nH]5
+Clc1cc(cc(Cl)c1Nc2nc3ccncc3c4c2ccnc4O)C(=O)C
+Clc1cc(cc(Cl)c1O)C(OC)=O
+Clc1cc(cc(Cl)c1Oc2cc3c(C(C)C)c[nH]c3cc2)C=O
+Clc1cc(cc(Cl)c1Oc2cc3c(nc2)ccc(C(O)=O)c3)[N+](=O)[O-]
+Clc1cc(cc(Cl)n1)-c2c3cccnc3[nH]c2
+Clc1cc(cc(Cl)n1)C(=O)OC
+Clc1cc(cc(c1)Br)O
+Clc1cc(cc(c1)F)Br
+Clc1cc(cc2cccnc12)Br
+Clc1cc(ccc1)NN
+Clc1cc(ccc1)Nc2nc(-c3cc(Cl)ncc3)ncn2
+Clc1cc(ccc1)O
+Clc1cc(ccc1[N+]([O-])=O)C(=O)C
+Clc1cc(cnc1)Br
+Clc1cc(cnc1)O
+Clc1cc(nc2cc(nn12)C(=O)OCC)Cl
+Clc1cc2C(CC(=O)OC)CCCN(C(c3cnc(cc3)NC(c4c(cccc4)Cl)=O)=O)c2cc1
+Clc1cc2C(CCCOc2c(C)c1)=O
+Clc1cc2CC(Nc2cc1)=O
+Clc1cc2CCC3(C(=O)NC(=O)C3)c2cc1
+Clc1cc2CCC3=C(CCC(=O)N3)c2cc1
+Clc1cc2N(C(Sc2cc1)=O)CC(=O)O
+Clc1cc2OC(c3c(NC(C)=O)nccc3-c2cc1)C
+Clc1cc2OCC(CC(OCC)=O)Nc2cc1
+Clc1cc2c(C)c(C(=O)OCC)sc2cc1
+Clc1cc2c(c(cnc2cc1)C(=O)OCC)Cl
+Clc1cc2c(c[nH]c2cc1)CCN
+Clc1cc2c(cc1)C3c4ccccc4C2(C3)C(O)=O
+Clc1cc2c(cc1)CNCC2
+Clc1cc2c(cc1)nc(c(c2-c3cnccc3)C(=O)C)O
+Clc1cc2c(cc1)nc(cc2O)N
+Clc1cc2c(ccnc2cc1)C=O
+Clc1cc2c(n[nH]c2cc1)C(=O)OC
+Clc1cc2c(nc(nc2Cl)Cl)cc1
+Clc1cc2c(ncnc2cc1)Cl
+Clc1cc2c3nc(C)ccc3c(N)nc2cc1
+Clc1cc2cc([nH]c2c(C)c1)C(=O)OCC
+Clc1cc2n(ccn2)cc1
+Clc1cc2onc(Cl)c2cc1
+Clc1ccc(-c2c(C(C)=O)cccc2)c(F)c1
+Clc1ccc(Br)c(Cl)c1
+Clc1ccc(C#N)c(Cl)c1
+Clc1ccc(C(=O)c2oc3c(c2C)ccc(c3)Br)c(Cl)c1
+Clc1ccc(C(C)N)c(Cl)c1
+Clc1ccc(C(Cl)=O)c(Cl)c1
+Clc1ccc(C(O)CO)cc1F
+Clc1ccc(C)c(-c2[nH]c(-c3ccnc(n3)N)cc2C(=O)OCC)c1
+Clc1ccc(C)nc1Cl
+Clc1ccc(C=O)c(Cl)c1
+Clc1ccc(CC)c(-c2[nH]c(-c3ccnc(n3)N)cc2C(=O)OCC)c1
+Clc1ccc(CCO)c(Cl)c1
+Clc1ccc(Cl)c(SCC#C)c1
+Clc1ccc(Cl)c([N+]([O-])=O)c1
+Clc1ccc(Cl)nc1Cl
+Clc1ccc(F)c(C=O)c1
+Clc1ccc(N)c(C(=O)c2ccccc2Cl)c1
+Clc1ccc(N)c(CO)c1
+Clc1ccc(N)c(Cl)c1
+Clc1ccc(N)c([N+]([O-])=O)c1
+Clc1ccc(N=C=S)c(C)c1
+Clc1ccc(N=C=S)c(Cl)c1
+Clc1ccc(OC)c(-c2c(c3c(nc(nc3cc2)N)N)Cl)c1
+Clc1ccc(c(-c2c3C(CCc3nc(O)c2)=O)c1)Br
+Clc1ccc(c(-c2cc3ccccc3[nH]2)c1)N
+Clc1ccc(c(C)c1)O
+Clc1ccc(c(C=Cc2ncccc2)c1)O
+Clc1ccc(c(C=O)c1)O
+Clc1ccc(c(C=O)c1)OC
+Clc1ccc(c(CBr)c1)Br
+Clc1ccc(c(CC(OCC)=O)c1)O
+Clc1ccc(c(Cc2ccc(o2)C(=O)OCC)c1)OC
+Clc1ccc(c(Cl)c1)C(=O)O
+Clc1ccc(c(Cl)c1)C(CC(C(OCC)=O)C(C)=O)=O
+Clc1ccc(c(Cl)c1)CCN
+Clc1ccc(c(Cl)c1)CN
+Clc1ccc(c(Cl)c1)CN(C)c2c(ccc(C(=O)O)c2)[N+]([O-])=O
+Clc1ccc(c(Cl)c1)CN=C=O
+Clc1ccc(c(Cl)c1)CNC(c2c[nH]nc2OCC)=O
+Clc1ccc(c(Cl)c1)O
+Clc1ccc(c(Cl)c1)OC(C)C(=O)O
+Clc1ccc(c(Cl)c1)Sc2ncccc2C=O
+Clc1ccc(c(Cl)c1)[N+]([O-])=O
+Clc1ccc(c(Cl)c1C)O
+Clc1ccc(c(I)c1)CC(=O)O
+Clc1ccc(c(I)c1)O
+Clc1ccc(c(O)c1Cl)O
+Clc1ccc(c([N+]([O-])=O)c1)Br
+Clc1ccc(c([N+]([O-])=O)c1)C
+Clc1ccc(c(c1[N+]([O-])=O)Cl)O
+Clc1ccc(cc1C)O
+Clc1ccc(cc1F)O
+Clc1ccc(cc1N2NC(=NC2=O)CCCC)C(=O)OC
+Clc1ccc(cc1O)C(=O)OC
+Clc1ccc(cc1O)O
+Clc1ccc2CC(NCC(c3ccccc3Br)c2c1)=O
+Clc1ccc2CC(Nc2c1)=O
+Clc1ccc2CCC(N)c2c1
+Clc1ccc2Oc3ccccc3C4C(N)CCCN4c2c1
+Clc1ccc2c(C(CC2)=O)c1
+Clc1ccc2c(C=Cc3c(C2C4=CN(C)C(NC4=O)=O)nc(s3)Cl)c1
+Clc1ccc2c(Cl)ccnc2c1
+Clc1ccc2c(c(cnc2c1)C(=O)N)Cl
+Clc1ccc2c(c1)C(=O)C(N2CC(OCC)=O)=O
+Clc1ccc2c(c1)NCc3c(cccc3)O2
+Clc1ccc2c(cc(C(=O)O)[nH]2)c1
+Clc1ccc2c(cc(C(=O)OCC)[nH]2)c1
+Clc1ccc2c(cnc(Cl)c2)c1
+Clc1ccc2c(n(-c3cn(CCC)nc3)cc2)c1
+Clc1ccc2c(nc(C=Cc3cc(ccc3)C=O)cc2)c1
+Clc1ccc2c(nc(C=Cc3cccc(CCl)c3)cc2)c1
+Clc1ccc2c(ncc(Cl)n2)c1
+Clc1ccc2c(nncc2c1)O
+Clc1ccc2cc(-c3cc(C=O)cnc3)[nH]c2c1
+Clc1ccc2cc(Br)ccc2c1
+Clc1ccc2cc(C)[nH]c2c1
+Clc1ccc2cc([nH]c2c1)C=O
+Clc1ccc2cc[nH]c2c1
+Clc1ccc2ncc([N+]([O-])=O)c(O)c2c1F
+Clc1ccc2ncccc2c1
+Clc1cccc(-c2[nH]ncc2)c1
+Clc1cccc(C#Cc2nc(C)[nH]c2)c1
+Clc1cccc(C(=O)O)c1
+Clc1cccc(C(=O)OO)c1
+Clc1cccc(C(CBr)=O)c1
+Clc1cccc(C(Cl)=O)c1
+Clc1cccc(C)c1CN
+Clc1cccc(C)c1O
+Clc1cccc(C=Cc2c(ccc(OC)c2)C(=O)O)c1
+Clc1cccc(CBr)c1
+Clc1cccc(CN)c1
+Clc1cccc(Cl)c1-c2c(nc3nc(Nc4ccccc4)nc(N)c3c2)O
+Clc1cccc(Cl)c1-c2noc(C(C)C)c2CO
+Clc1cccc(Cl)c1Br
+Clc1cccc(Cl)c1C(=O)NC(CC=C)C(O)=O
+Clc1cccc(Cl)c1C(O)=O
+Clc1cccc(Cl)c1CC(O)=O
+Clc1cccc(Cl)c1N=C=O
+Clc1cccc(Cl)n1
+Clc1cccc(Cn2c(c([N+]([O-])=O)c3ccc(cc23)Br)C(=O)OCC)c1
+Clc1cccc(F)c1C#N
+Clc1cccc(N)c1
+Clc1cccc(N=C=S)c1
+Clc1cccc(c1)-c2c3c(ccc(c3)Br)nc(OC)c2
+Clc1cccc(c1)-c2c[nH]cn2
+Clc1cccc(c1)-c2cc3c(o2)ccnc3O
+Clc1cccc(c1)-c2nn3CCNCc3c2C(=O)N
+Clc1cccc(c1)-c2nnc(O)c(C)c2
+Clc1cccc(c1)-c2onc(C3N(C(SC)=NC)CCC3)c2
+Clc1cccc(c1)Br
+Clc1cccc(c1)C#C
+Clc1cccc(c1)C#CC(=O)c2cccnc2
+Clc1cccc(c1)C(=O)C
+Clc1cccc(c1)C(=O)c2c(cccn2)C(=O)O
+Clc1cccc(c1)C(Cl)=NO
+Clc1cccc(c1)C(O)C(=O)O
+Clc1cccc(c1)C2=C(C(N(c3nc(C)ccc23)CC)=O)CCC(OCC)=O
+Clc1cccc(c1)C=C
+Clc1cccc(c1)C=O
+Clc1cccc(c1)CCl
+Clc1cccc(c1)F
+Clc1cccc(c1)I
+Clc1cccc(c1)N=C=O
+Clc1ccccc1CC#N
+Clc1ccccc1CN=C=O
+Clc1cccnc1Br
+Clc1cccnc1O
+Clc1ccn2c(c1)nnc2-c3c(cccc3)Cl
+Clc1ccnc(C)c1C=O
+Clc1ccnc(CO)c1C
+Clc1ccnc(NC)c1[N+](=O)[O-]
+Clc1ccnc(O)c1[N+](=O)[O-]
+Clc1ccnc(SC)n1
+Clc1ccnc2c1sc(Br)c2
+Clc1ccncc1Br
+Clc1ccncc1[N+](=O)[O-]
+Clc1ccsc1C(=O)O
+Clc1cnc(-c2cc(N)cc(c2)C(=O)OC)cc1
+Clc1cnc(-n2c(c(cn2)C(=O)O)N)c(Cl)c1
+Clc1cnc(Br)cc1Br
+Clc1cnc(C#N)c(Cl)c1
+Clc1cnc(C(=O)OCC)c(Cl)c1
+Clc1cnc(Cl)c(c1)C(=O)O
+Clc1cnc(N)c(c1Cl)[N+]([O-])=O
+Clc1cnc(c(Cl)c1)Cl
+Clc1cnc(c([N+]([O-])=O)c1)Cl
+Clc1cnc(cc1)C#N
+Clc1cnc(cc1)C(=O)O
+Clc1cnc(cc1)C(=O)OC
+Clc1cnc(cc1)Cl
+Clc1cnc(cc1)N
+Clc1cnc(cc1)OC2CNCC2
+Clc1cnc(nc1Cl)Cl
+Clc1cnc2n(c1)nc(c2)C(=O)O
+Clc1cncc(Cl)c1N
+Clc1cncc(Cl)c1S
+Clc1cnnc(Cl)c1Cl
+Clc1nc(C)ccc1C#N
+Clc1nc(C)nc2n[nH]cc12
+Clc1nc(Cl)nc(Cl)n1
+Clc1nc(Cl)ncc1Br
+Clc1nc(Cl)ncc1C
+Clc1nc(Cl)ncc1F
+Clc1nc(Cl)ncc1[N+]([O-])=O
+Clc1nc(ccc1)N
+Clc1nc(nc(Cl)c1)C
+Clc1nc(nc(Cl)c1)Cl
+Clc1nc(nc(Cl)c1-c2c(cc(cc2F)F)F)Cl
+Clc1nc(nc(Cl)c1C)Cl
+Clc1nc(nc(Cl)c1C=O)SC
+Clc1nc(nc(Cl)c1N)N
+Clc1nc(nc(Cl)c1NC=O)NC=O
+Clc1nc(nc(Cl)n1)C
+Clc1nc(nc(Cl)n1)NC
+Clc1nc(nc(Cl)n1)OC
+Clc1nc(nc2ccc(COC(C)=O)nc12)Cl
+Clc1nc(nc2n(cnc12)CC)Cl
+Clc1nc(nc2n[nH]cc12)Cl
+Clc1nc2c(cc1C(=O)O)cccc2
+Clc1nc2c(nc(Cl)nc2nc1Cl)Cl
+Clc1ncc(Br)c(NC(CO)C)n1
+Clc1ncc(Br)c(SC)n1
+Clc1ncc(Br)c(n1)N2CCOCC2C(=O)O
+Clc1ncc(F)c(C(=O)C)n1
+Clc1ncc([nH]1)[N+](=O)[O-]
+Clc1ncc(c(C(=O)O)c1)[N+](=O)[O-]
+Clc1ncc(c(O)n1)[N+](=O)[O-]
+Clc1ncc(c(SCC(=O)OC)n1)[N+](=O)[O-]
+Clc1ncc2c(n[nH]c2)c1
+Clc1ncc2c(n[nH]c2)n1
+Clc1nccc(Br)c1
+Clc1nccc(C(=O)O)c1
+Clc1nccc(C)c1
+Clc1nccc(C)n1
+Clc1nccc(CCl)c1
+Clc1nccc(O)c1
+Clc1nccc(c1)C(=O)OC
+Clc1nccc(c1)NN
+Clc1nccc(c1)[N+](=O)[O-]
+Clc1ncccc1
+Clc1nccn2c(nc(Br)c12)Br
+Clc1ncnc(Cl)c1C=O
+Clc1ncnc(Cl)c1F
+Clc1ncnc(Cl)n1
+Clc1ncnc(c1)N
+Cn1c2ccccc2nc1C=O
+Cn1cccn1
+Cn1nc2c(Br)cccc2c1
+F
+FC(F)(Br)C(OCC)=O
+FC(F)(C(=O)O)Cl
+FC(F)(C(=O)O)S(=O)(=O)F
+FC(F)(C(=O)OC)C(F)(F)OC
+FC(F)(C(C)(C)OC(OCC)C)CCOC(C)=O
+FC(F)(C(F)Cl)C(=O)Cl
+FC(F)(C(F)F)CO
+FC(F)(C(F)F)COc1c(Cl)cc(O)cn1
+FC(F)(C(OCC)=O)C
+FC(F)(C(OCC)=O)CN(c1c([N+](=O)[O-])cnc(Cl)n1)CCCc2ccccc2
+FC(F)(C)C(=O)O
+FC(F)(C)C=CC(=O)OCC
+FC(F)(C)COc1ncc(cc1C)CN2C(=O)c3ccccc3C2=O
+FC(F)(CCC(OCC)=O)Cl
+FC(F)(CN)C(OCC)=O
+FC(F)(CO)C
+FC(F)(Cl)C(=O)OC
+FC(F)(Cl)c1ccc(C(=O)OC)c(n1)O
+FC(F)(F)C(=CC#N)N
+FC(F)(F)C(=CC(OCC)=O)N
+FC(F)(F)C(=CC1C(C1(C)C)C(Cl)=O)Cl
+FC(F)(F)C(=O)C
+FC(F)(F)C(=O)C(C(=O)OCC)C
+FC(F)(F)C(=O)CBr
+FC(F)(F)C(=O)CC(=O)C
+FC(F)(F)C(=O)CC(=O)C1CC1
+FC(F)(F)C(=O)CC(=O)OCC
+FC(F)(F)C(=O)N(CC1CCNCC1)C2C(c3scc(C(=O)Nc4sc(nn4)C)c3)C2
+FC(F)(F)C(=O)N1CC(C)c2ccc(OC)cc2CC1C
+FC(F)(F)C(=O)N1CC(CCC1)c2c(N)cccc2
+FC(F)(F)C(=O)N1CCC(CC1)C(=O)Cl
+FC(F)(F)C(=O)N1CCN(C(=O)C1)c2ccc(cc2)S(=O)(=O)Cl
+FC(F)(F)C(=O)N1CCN(CC1)C(c2nccs2)=O
+FC(F)(F)C(=O)N1CCc2c(c(O)c(cc2)Cl)CC1
+FC(F)(F)C(=O)N1CCc2cc(C3=NN(C(C=C3)=O)c4ccc(cc4)S(=O)(=O)C)ccc2CC1
+FC(F)(F)C(=O)N1CCc2ccccc2CC1
+FC(F)(F)C(=O)NC1Cc2c(OC1)c(ccc2OC)S(=O)(=O)Cl
+FC(F)(F)C(=O)NCC1CCC(CC1)NC(=O)OC(C)(C)C
+FC(F)(F)C(=O)NCC1CCCNC1
+FC(F)(F)C(=O)NCc1ccc(c(C2=NC(=O)N(N2)c3c(F)cc(I)cc3)c1)Cl
+FC(F)(F)C(=O)Nc1c(F)ccc(c1)NC
+FC(F)(F)C(=O)Nc1c2c(ccc1)CCO2
+FC(F)(F)C(=O)Nc1cn2nc(ccc2n1)Cl
+FC(F)(F)C(=O)OC(C(F)(F)F)=O
+FC(F)(F)C(=O)OCC
+FC(F)(F)C(=O)c1cc(Cl)c(c(Cl)c1)F
+FC(F)(F)C(=S)N
+FC(F)(F)C(Br)=C
+FC(F)(F)C(C(=O)OCC)(CC(=CCC)c1c(c(ccc1)F)OC)O
+FC(F)(F)C(C(Br)C)=O
+FC(F)(F)C(C(Cl)C(OCC)=O)=O
+FC(F)(F)C(C(OCC)=O)(O)CC
+FC(F)(F)C(C)(C(O)=O)O
+FC(F)(F)C(C)(C)C(=O)O
+FC(F)(F)C(C)(C)c1ccc(cc1)C(N)=NO
+FC(F)(F)C(C1C(=O)CCCC1=O)=O
+FC(F)(F)C(C1CC1)N2C(C(C#N)=C(OC)C=C2)=O
+FC(F)(F)C(C1CCC(CC1)NCc2ccccc2)O
+FC(F)(F)C(C=Cc1cc(C(F)(F)F)c(cc1)CN)c2cc(Cl)c(c(c2)Cl)Cl
+FC(F)(F)C(CC#N)=O
+FC(F)(F)C(CC(=C)C)(C(=O)OCC)O
+FC(F)(F)C(CC(C)(C)c1cc(F)ccc1OC)(O)CN
+FC(F)(F)C(CC(c1ccc(cc1)Br)=O)=O
+FC(F)(F)C(CC=CCCCCC)(F)C(=O)O
+FC(F)(F)C(CCO)C
+FC(F)(F)C(CN)(CN)O
+FC(F)(F)C(CN1C(c2ccc(cc2)Cl)=NNC1=O)O
+FC(F)(F)C(Cl)=CC1C(C)(C)C1C(O)=O
+FC(F)(F)C(F)(F)C(Nc1ccccc1[N+]([O-])=O)=O
+FC(F)(F)C(F)(F)C(O)=O
+FC(F)(F)C(F)(F)CCC=CCCCCl
+FC(F)(F)C(F)(F)CCCCOS(=O)(=O)C
+FC(F)(F)C(F)(F)CCN
+FC(F)(F)C(F)(F)CN
+FC(F)(F)C(F)(F)I
+FC(F)(F)C(N(C1CCc2c1cccc2Br)c3cc4OCC(CC(OC)=O)c4cc3)=O
+FC(F)(F)C(N(c1ccc(CCC(OCC)=O)c(F)c1)Cc2c(C)c3c(cc2)CCCN3CCO)=O
+FC(F)(F)C(N)=O
+FC(F)(F)C(N)C
+FC(F)(F)C(N1CCC(CC1)N(Cc2cc3OCCOc3cc2)C(=O)OC(C)(C)C)=O
+FC(F)(F)C(N=S(=O)(Cc1cccc([N+](=O)[O-])c1)C)=O
+FC(F)(F)C(NC(C(=O)Cl)C)=O
+FC(F)(F)C(NC(CCC)CO)c1ccc(cc1)Br
+FC(F)(F)C(NCC#C)=O
+FC(F)(F)C(NCC=C)=O
+FC(F)(F)C(NCCCCOS(=O)(=O)C)=O
+FC(F)(F)C(NCCN)=O
+FC(F)(F)C(NCO)=O
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)C(OC)=O
+FC(F)(F)C(Nc1ccc(N)cc1Cl)=O
+FC(F)(F)C(Nc1ccc(cc1)CCCC(=O)N(C)C)=O
+FC(F)(F)C(Nc1ccc(cc1)I)=O
+FC(F)(F)C(Nc1n[nH]c(CC(Nc2cccc(F)c2)=O)c1)=O
+FC(F)(F)C(O)(C(OCC)=O)CC(C)(C)c1ccc(c(F)c1OC)Cl
+FC(F)(F)C(O)(CC1(CCOc2ccc(S(=O)(=O)C)cc12)C)CC#C
+FC(F)(F)C(O)(Cc1c(cccc1)OC)C#N
+FC(F)(F)C(O)(c1ccc(cc1)OCc2ccccc2)C
+FC(F)(F)C(O)=O
+FC(F)(F)C(O)C
+FC(F)(F)C(O)c1ccccc1[N+]([O-])=O
+FC(F)(F)C(c1cc(C#N)ncc1)O
+FC(F)(F)C(c1cc(Cl)c(c(Cl)c1)Cl)Br
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)F)=C
+FC(F)(F)C(c1cc(Cl)cc(c1)Cl)=C
+FC(F)(F)C(c1cc(Cl)cc(c1)Cl)=O
+FC(F)(F)C(c1ccc(cc1)Br)O
+FC(F)(F)C(c1ccccc1)=O
+FC(F)(F)C(c1ccccc1I)O
+FC(F)(F)C1(CC(c2ccc(cc2)CN3C(c4ccccc4C3=O)=O)=NO1)c5cc(Cl)cc(Cl)c5
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(c(N=C=S)c2)Cl
+FC(F)(F)C1(CC1)C(=O)O
+FC(F)(F)C1(CCC2(CC1)C(=O)NC(=O)N2)OC
+FC(F)(F)C1(CCNCC1)O
+FC(F)(F)C1(CO1)CNc2c3cnn(-c4ccc(cc4)F)c3cc(C)c2
+FC(F)(F)C1(C[N+]([O-])=O)NC(N(c2ccc(cc12)Br)Cc3ccc(cc3)OC)=O
+FC(F)(F)C1(N=N1)c2ccc(cc2)CN
+FC(F)(F)C1(OC1)CC(C)(C)c2ccccc2C
+FC(F)(F)C1(OC1)CNC(c2cnn(-c3ccc(cc3)F)c2N)=O
+FC(F)(F)C1(c2c(cccc2)-c3c1cc(OCC(O)C)cc3Cl)O
+FC(F)(F)C1(c2cc(Cl)c(c(c2)Cl)Cl)CCNC1
+FC(F)(F)C1=CC(=O)N(c2c(OCC#C)cc(cc2F)Cl)C(=O)N1C
+FC(F)(F)C1C(C(N)(c2c(cccc2)F)CO1)CO
+FC(F)(F)C1CCC(CC1)CO
+FC(F)(F)C1CCC(CC1)NC(c2c(OCCF)nc(Cl)cc2)=O
+FC(F)(F)C1CCC(CC1)O
+FC(F)(F)C1CCCNC1
+FC(F)(F)C1Oc2c(cc(cc2)C=O)C=C1C(OCC)=O
+FC(F)(F)C1c2c(Cl)ncnc2NC(=O)C1
+FC(F)(F)C=1N(C(=O)N(C(C=1)=O)c2cc3c(-c4sccc4C)nsc3cc2)C
+FC(F)(F)C=1N(C(=O)N(C(C=1)=O)c2cc3c(CSC)nsc3cc2)C
+FC(F)(F)C=1N(C(=O)N(c2cc(c(cc2F)[N+]([O-])=O)F)C(=O)C=1)C
+FC(F)(F)C=1N(C)C(N(C(=O)C=1)c2cc(C(=O)OCC)c(Cl)cc2F)=O
+FC(F)(F)C=1N(C)C(N(c2c(cc(cc2F)Cl)F)C(=O)C=1)=O
+FC(F)(F)C=1N(C)NC(=O)C=1
+FC(F)(F)C=1N=C(N(C)C)OC(=O)C=1
+FC(F)(F)C=1NC(N(c2c(F)cc(c(c2)OC)Cl)C(C=1)=O)=O
+FC(F)(F)C=1NC(N(c2c(cc(c(c2)OCC=C)Br)F)C(C=1)=O)=O
+FC(F)(F)C=1n2c(NC(=O)C=1)c(C(=O)OC)cn2
+FC(F)(F)CC(=O)OCC
+FC(F)(F)CC(C(=O)O)C
+FC(F)(F)CC(C)C(N=[N+]=[N-])C(=O)O
+FC(F)(F)CC(C)CN
+FC(F)(F)CC(N)C(=O)N
+FC(F)(F)CC(O)=O
+FC(F)(F)CC=O
+FC(F)(F)CCC(C#N)C#N
+FC(F)(F)CCC(N)C(N)=O
+FC(F)(F)CCC(N1C(COC1=O)Cc2ccccc2)=O
+FC(F)(F)CCC(NCC(Oc1ccccc1Cl)=CC(=O)OCC)C(=O)OC
+FC(F)(F)CCC=O
+FC(F)(F)CCCBr
+FC(F)(F)CCCCCCCCCCCCCCCBr
+FC(F)(F)CCCO
+FC(F)(F)CCI
+FC(F)(F)CCO
+FC(F)(F)CCS(=O)(=O)CCCCl
+FC(F)(F)CCSCCC(O)=O
+FC(F)(F)CI
+FC(F)(F)CN
+FC(F)(F)CN1CCN(C(=O)OCc2ccccc2)CC(NC(OC(C)(C)C)=O)C1=O
+FC(F)(F)CN=C=S
+FC(F)(F)CNC(CN)=O
+FC(F)(F)CNC(Nc1nn(CCCCC#N)cn1)=S
+FC(F)(F)CO
+FC(F)(F)COC=O
+FC(F)(F)COCCOCCOCCOCCOCCOCCO
+FC(F)(F)COP(OCC(F)(F)F)(CC(OC)=O)=O
+FC(F)(F)COS(=O)(=O)C(Cl)(Cl)Cl
+FC(F)(F)COS(=O)(=O)c1ccc(cc1)C
+FC(F)(F)COc1c(F)ccc(C)c1
+FC(F)(F)COc1c(ccc(CC(OCC)=O)c1)[N+]([O-])=O
+FC(F)(F)COc1cc(C(=O)OC)ccc1Cl
+FC(F)(F)COc1cc([N+](=O)[O-])c(cc1OC)C(OCC)=O
+FC(F)(F)COc1cc([nH]n1)N2C(=O)c3ccccc3C2=O
+FC(F)(F)COc1cc(ccc1CC(OC)=O)OCc2ccccc2
+FC(F)(F)COc1ccc(OCc2ccccc2)cc1C(=O)Cl
+FC(F)(F)COc1ccc(cc1)Br
+FC(F)(F)COc1ccnc(c1C)CSc2nc3ccccc3[nH]2
+FC(F)(F)COc1cnc(cc1)C(C)N
+FC(F)(F)COc1ncc(cc1Br)C(=O)OC
+FC(F)(F)CSCC(O)=O
+FC(F)(F)Cc1cc(c(s1)N)C(=O)N
+FC(F)(F)Cc1ccc(cc1)N
+FC(F)(F)Cc1cn(CCO)c(C2CCNCC2)n1
+FC(F)(F)Cc1nnc2n1CC(c3c(F)c(ccc3)F)CCC2NC(OC(C)(C)C)=O
+FC(F)(F)Oc1c(F)cc(cc1)C(c2ncccc2F)N
+FC(F)(F)Oc1cc(Br)ccc1C2C(C(=O)OCCC#N)=C(C)Nc3ccnc(OCC)c23
+FC(F)(F)Oc1cc(C(=O)O)cc(Cl)c1
+FC(F)(F)Oc1cc(C(=O)O)ccc1
+FC(F)(F)Oc1cc(C(CC(C(OCC)=O)=O)=O)cc(Br)c1
+FC(F)(F)Oc1cc(ccc1)C(=O)C
+FC(F)(F)Oc1cc(ccc1)Oc2c(C)cc(cc2)N
+FC(F)(F)Oc1cc(ccc1)Oc2n(c3C(=O)NC(N(c3n2)C)=O)Cc4ccc(cc4)Cl
+FC(F)(F)Oc1cc(ccc1)S
+FC(F)(F)Oc1cc(ccc1)S(=O)(=O)Cl
+FC(F)(F)Oc1cc(ccc1S(=O)(=O)Cl)Br
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C)n2)C(OCC)=O
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C3CCCCC3)n2)Cc4ccc(cc4)C#N
+FC(F)(F)Oc1ccc(cc1)-n2nc(nc2)-c3ccc(cc3)CCCN4C(=O)c5ccccc5C4=O
+FC(F)(F)Oc1ccc(cc1)-n2ncc3c4c(ccc23)cc(Br)cc4
+FC(F)(F)Oc1ccc(cc1)B(O)O
+FC(F)(F)Oc1ccc(cc1)Br
+FC(F)(F)Oc1ccc(cc1)C(COC)O
+FC(F)(F)Oc1ccc(cc1)C(Cl)=O
+FC(F)(F)Oc1ccc(cc1)C(N)=O
+FC(F)(F)Oc1ccc(cc1)C(c2c(ccc(Br)c2)Cl)=O
+FC(F)(F)Oc1ccc(cc1)C2(CC2)N3CCC(CC3)O
+FC(F)(F)Oc1ccc(cc1)C=Cc2occ(n2)CCl
+FC(F)(F)Oc1ccc(cc1)C=O
+FC(F)(F)Oc1ccc(cc1)CBr
+FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(C2)Oc3cc(C(=O)OC)cnc3N)=O
+FC(F)(F)Oc1ccc(cc1)CCN
+FC(F)(F)Oc1ccc(cc1)CN
+FC(F)(F)Oc1ccc(cc1)I
+FC(F)(F)Oc1ccc(cc1)N
+FC(F)(F)Oc1ccc(cc1)N2C(=O)NC(C)(C)C2=O
+FC(F)(F)Oc1ccc(cc1)N=C=O
+FC(F)(F)Oc1ccc(cc1)NC(CC)C(OC)=O
+FC(F)(F)Oc1ccc(cc1)NN
+FC(F)(F)Oc1ccc(cc1)Nc2nc(Cl)nc(Cl)n2
+FC(F)(F)Oc1ccc(cc1)O
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Cl
+FC(F)(F)Oc1ccc(cc1B(O)O)Cl
+FC(F)(F)Oc1cccc(B(O)O)c1
+FC(F)(F)Oc1cccc(CBr)c1
+FC(F)(F)Oc1cccc(CC(O)=O)c1
+FC(F)(F)Oc1cccc(c1)I
+FC(F)(F)Oc1ccccc1C#N
+FC(F)(F)Oc1ccccc1C(=O)CC(C(OC)=O)C(C)=O
+FC(F)(F)Oc1ccccc1CBr
+FC(F)(F)Oc1ccccc1S
+FC(F)(F)Oc1cnc(cc1)Br
+FC(F)(F)S(=O)(=O)Cl
+FC(F)(F)S(=O)(=O)N(S(=O)(=O)C(F)(F)F)c1ccccc1
+FC(F)(F)S(=O)(=O)OC1=C(C(=O)OC)N(CC(C)C)C(=O)c2ccc(cc12)OCc3ccccc3
+FC(F)(F)S(=O)(=O)OC1=CC2CCC(N2C(=O)OC(C)(C)C)C1
+FC(F)(F)S(=O)(=O)OC1=CCC2(OCCO2)CC1
+FC(F)(F)S(=O)(=O)OC=1CCCC=1C(=O)OC
+FC(F)(F)S(=O)(=O)OC=1c2ccc(cc2OC(C=1)=O)C
+FC(F)(F)S(=O)(=O)OCC(F)(F)F
+FC(F)(F)S(=O)(=O)OCC(F)(F)c1ccc(C(F)F)cn1
+FC(F)(F)S(=O)(=O)OCC(F)F
+FC(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)F
+FC(F)(F)S(=O)(=O)O[Si](C)(C)C(C)(C)C
+FC(F)(F)S(=O)(=O)Oc1c(C)c(cc2c1cc(Cl)cc2)CC(=O)OC
+FC(F)(F)S(=O)(=O)Oc1c(CC(C)C)cc(-c2ccc(CCC#N)cc2CC(C)C)cc1
+FC(F)(F)S(=O)(=O)Oc1c(Cl)c2cc(C(F)F)n(c2cc1)S(=O)(=O)c3ccccc3
+FC(F)(F)S(=O)(=O)Oc1c(cc(C#N)cc1[N+](=O)[O-])C
+FC(F)(F)S(=O)(=O)Oc1c(cc(C)cc1)[N+](=O)[O-]
+FC(F)(F)S(=O)(=O)Oc1c(cc(c(C)c1[N+]([O-])=O)Cl)C(=O)C
+FC(F)(F)S(=O)(=O)Oc1c(nc(C(=O)OC)cc1)-c2cc(OCc3ccccc3)c(cc2)Cl
+FC(F)(F)S(=O)(=O)Oc1c2OC(COS(=O)(=O)c3ccc(cc3)C)CCc2ccc1
+FC(F)(F)S(=O)(=O)Oc1c2c(ccc1Cl)CCN(CC2)C(=O)C(F)(F)F
+FC(F)(F)S(=O)(=O)Oc1c2c(ccnc2Cl)oc1C(=O)OCC
+FC(F)(F)S(=O)(=O)Oc1cc(C)c(c(c1)C)-c2c(cncc2C)C
+FC(F)(F)S(=O)(=O)Oc1cc(F)c(c(c1)F)C(C)(C)C(F)(F)F
+FC(F)(F)S(=O)(=O)Oc1cc(c(CCC)cc1F)OC
+FC(F)(F)S(=O)(=O)Oc1cc(c2c(n(nc2)C(C)C)n1)C(=O)OCC
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1)-c2c(scc2)C#N
+FC(F)(F)S(=O)(=O)Oc1cc2c(-c3ccc4c(ccc(OC)c4)c3C(O2)c5ccc(cc5)OCCN6CCCCC6)cc1
+FC(F)(F)S(=O)(=O)Oc1cc2c(c(CC(=O)OCC)c1)CCCC2
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)ccc(OC)c2
+FC(F)(F)S(=O)(=O)Oc1ccc(C(CC)(CC)c2ccc(c(C)c2)C(=O)OC)cc1C
+FC(F)(F)S(=O)(=O)Oc1ccc(CCC#N)cc1CC(C)C
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2ccc(cc2)C3(CC3)C(OCC)=O
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)C(CC)(CC)c2cc(C)c(C=CC(CC)(CC)O)cc2
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1F)C2CCC(CC2)CC(=O)OC
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1OC)CC(OCC)=O
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1OCCCC)C=C(C(OC)=O)OC
+FC(F)(F)S(=O)(=O)Oc1ccc2C(CC(OC)=O)CCc2c1C
+FC(F)(F)S(=O)(=O)Oc1ccc2N(C(=O)C(C)(C)C(=O)N(c2c1)C)CC
+FC(F)(F)S(=O)(=O)Oc1ccc2c(c(C(NC)=O)c(-c3ccc(cc3)F)o2)c1
+FC(F)(F)S(=O)(=O)Oc1cccc(C)c1[N+]([O-])=O
+FC(F)(F)S(=O)(=O)Oc1n(C)nc(C)c1C
+FC(F)(F)Sc1c(N)cccc1
+FC(F)(F)Sc1ccc(Cl)nc1
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(Cc3ccnc(S(=O)(=O)C)n3)C2=O
+FC(F)(F)[Si](C)(C)C
+FC(F)(F)c1[n+]([O-])c(C)cc(CC)c1
+FC(F)(F)c1[nH]c2cc(ccc2c1C(=O)OCC)OC
+FC(F)(F)c1[nH]c2ccc(C#N)cc2c1
+FC(F)(F)c1[nH]c2ccc(cc2n1)N
+FC(F)(F)c1[nH]nc(c1)C(OCC)=O
+FC(F)(F)c1[nH]ncc1
+FC(F)(F)c1[nH]ncc1C(OCC)=O
+FC(F)(F)c1c(-c2ccc(cc2)Br)nccc1
+FC(F)(F)c1c(-c2cnc(c(C(=O)OC)n2)N)nccc1OC
+FC(F)(F)c1c(Br)ccc(N)c1
+FC(F)(F)c1c(C#N)ccc(c1)N
+FC(F)(F)c1c(C(=O)Cl)cccc1
+FC(F)(F)c1c(C(=O)O)ccc(N)c1
+FC(F)(F)c1c(C(=O)O)nc(o1)-c2c(Cl)cccc2Cl
+FC(F)(F)c1c(C(NC(CNC(=O)OC(C)(C)C)C(OC)=O)=O)cn(C)n1
+FC(F)(F)c1c(C)ccc(c1)N
+FC(F)(F)c1c(C)nc(cc1)Oc2cc(ccc2)CO
+FC(F)(F)c1c(C=O)ccc(F)c1
+FC(F)(F)c1c(CCC(OCC)=O)c2c(c(Br)ccc2)[nH]1
+FC(F)(F)c1c(CCOS(=O)(=O)C)cccc1
+FC(F)(F)c1c(CO)cnc(n1)Nc2cccc(Cl)c2
+FC(F)(F)c1c(Cl)c(Cl)ncn1
+FC(F)(F)c1c(Cl)cc(C(O)=O)cc1
+FC(F)(F)c1c(Cl)cc2n(c(nc2c1)C)CC
+FC(F)(F)c1c(Cl)ccc(O)c1
+FC(F)(F)c1c(Cl)ccc(c1)N
+FC(F)(F)c1c(Cl)nc(Cl)nc1
+FC(F)(F)c1c(Cl)nc(Nc2ccc(cc2)C3CCN(CC3)C(=O)OC(C)(C)C)nc1
+FC(F)(F)c1c(F)c(F)c(c(F)c1F)-n2ncc(C(OCC)=O)c2N
+FC(F)(F)c1c(F)cc(CC(O)=O)cc1
+FC(F)(F)c1c(N)c(Cl)nc(C)c1
+FC(F)(F)c1c(N)ccc(C#N)c1
+FC(F)(F)c1c(N=C=S)cccc1
+FC(F)(F)c1c(NC(=O)OC(C)(C)C)cnc(n1)Nc2cccc(Cl)c2
+FC(F)(F)c1c(NC2CC2)nc(nc1)Cl
+FC(F)(F)c1c(O)nc2ccc(OC)cc2n1
+FC(F)(F)c1c(OC)cc(c([N+](=O)[O-])c1)CC#N
+FC(F)(F)c1c([N+]([O-])=O)cc(C(=O)CBr)cc1
+FC(F)(F)c1c(c(Cl)ccc1)C(Cl)=O
+FC(F)(F)c1c(c(c(COc2cnc(cc2)Cl)cc1)C(OC(C)(C)C)=O)O
+FC(F)(F)c1c(c(ccc1)CBr)C
+FC(F)(F)c1c(c(ccc1)Cl)N
+FC(F)(F)c1c(c(ccc1C#N)NC(C(C)(C)C)=O)C
+FC(F)(F)c1c(cc(Cl)cc1)C=O
+FC(F)(F)c1c(cc(cc1)C2CC(C(=O)OC)CN(C(=O)Oc3ccc(cc3)[N+]([O-])=O)C2)F
+FC(F)(F)c1c(ccc(C#N)c1)F
+FC(F)(F)c1c(ccc(C#N)c1)N2CCCCC2C
+FC(F)(F)c1c(ccc(C(=O)O)c1)-n2cnc(C)c2
+FC(F)(F)c1c(ccc(C(C(OCC)=O)(C(OCC)=O)CC(C)C)c1)[N+]([O-])=O
+FC(F)(F)c1c(ccc(N=C=O)c1)Cl
+FC(F)(F)c1c(ccc(NC(OCc2ccccc2)=O)c1)CCO
+FC(F)(F)c1c(ccc(NC2CCC(CC2)O)c1)[N+]([O-])=O
+FC(F)(F)c1c(ccc(c1)Br)C#N
+FC(F)(F)c1c(ccc(c1)F)[N+]([O-])=O
+FC(F)(F)c1c(ccc(c1)N)F
+FC(F)(F)c1c(ccc(c1)OC)N
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)N(COC)c2c(ncc(c2)Cl)Br)Cl
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)[N+]([O-])=O)Cl
+FC(F)(F)c1c(ccc(c1)[N+](=O)[O-])N
+FC(F)(F)c1c(ccc(c1)[N+]([O-])=O)OC
+FC(F)(F)c1c(ccc2[nH]c(cc12)CC)C#N
+FC(F)(F)c1c(cccc1)C(Oc2cc(sc2C(OC)=O)-n3cnc4cnc(cc34)CO[Si](C)(C)C(C)(C)C)C
+FC(F)(F)c1c(cccc1)CO
+FC(F)(F)c1c(cccc1)O
+FC(F)(F)c1c(cccn1)C(=O)NN
+FC(F)(F)c1c(cn(Cc2ccc3C(CCc3c2)NC(OCc4ccccc4)=O)n1)C(OCC)=O
+FC(F)(F)c1c(cnn1-c2ccc(Cl)cc2Cl)C(=O)OCC
+FC(F)(F)c1c(cnn1-c2cccc(-c3c(C=O)ccc(c3)F)n2)C(OCC)=O
+FC(F)(F)c1c(cnn1-c2ccccc2)C(O)=O
+FC(F)(F)c1c(ncs1)C(C)=O
+FC(F)(F)c1c(noc1-c2nc(no2)-c3ccc(cc3)C=C)-c4ccccc4
+FC(F)(F)c1c2CCCCc2[nH]n1
+FC(F)(F)c1c2CCN(C(=O)c2n(n1)-c3cc(c(cc3)F)Cl)c4ccc(cc4)I
+FC(F)(F)c1c2CN(CCc2ccc1)C(C(F)(F)F)=O
+FC(F)(F)c1c2COCCc2[nH]n1
+FC(F)(F)c1c2c(ccc1)c(C3CCNCC3)c(s2)C(=O)OC
+FC(F)(F)c1c2c(ncnc2[nH]c1)Cl
+FC(F)(F)c1c2n(cc(Br)c1)c(c(C(OCC)=O)n2)Cl
+FC(F)(F)c1c2ncc(C(OCC)=O)c(-c3ccccc3)c2ccc1
+FC(F)(F)c1cc(-c2cc(Cl)c(Cl)cc2)nc(O)n1
+FC(F)(F)c1cc(-c2ccc(cc2)-c3cc(ccc3)S(=O)(=O)C)n(n1)CC(OCC)=O
+FC(F)(F)c1cc(-c2ccc(cc2)C(OC)=O)c(C=O)c(c1)OC
+FC(F)(F)c1cc(-c2cnc(cc2)C(C)N)ccn1
+FC(F)(F)c1cc(-c2sc3cc(C)ccc3n2)ccc1-c4ccccc4
+FC(F)(F)c1cc(B(O)O)ccc1F
+FC(F)(F)c1cc(C(=O)CN)ccc1
+FC(F)(F)c1cc(C(=O)Cl)n(-c2c(Cl)cccn2)n1
+FC(F)(F)c1cc(C(=O)NCC(=O)NC2CNCC2)ccc1
+FC(F)(F)c1cc(C(=O)Nc2cc(N)c(cc2)C)ccc1
+FC(F)(F)c1cc(C(=O)OC)cc(c1)[N+](=O)[O-]
+FC(F)(F)c1cc(C(=O)OC)ccc1CC2CCCCC2
+FC(F)(F)c1cc(C(NCC(=O)NC2CNC2)=O)ccc1
+FC(F)(F)c1cc(C(O)=O)c(cc1)Cl
+FC(F)(F)c1cc(C(O)=O)c2ccccc2n1
+FC(F)(F)c1cc(C(O)=O)ccc1
+FC(F)(F)c1cc(C(O)=O)ccc1OCC2CC2
+FC(F)(F)c1cc(C(O)c2ccccc2)ccc1
+FC(F)(F)c1cc(C=NO)c(F)cc1
+FC(F)(F)c1cc(CC(=O)O)ccc1F
+FC(F)(F)c1cc(CNC(C)C)cc(c1)C(=O)O
+FC(F)(F)c1cc(CO)ccc1
+FC(F)(F)c1cc(Cl)c(c(c1)Cl)F
+FC(F)(F)c1cc(Cl)c2c(cccc2)n1
+FC(F)(F)c1cc(Cl)ccc1CBr
+FC(F)(F)c1cc(Cl)ccc1CC(O)=O
+FC(F)(F)c1cc(Cl)n(n1)S(=O)(=O)N(C)C
+FC(F)(F)c1cc(Cl)nc(c1)Cl
+FC(F)(F)c1cc(Cl)ncc1
+FC(F)(F)c1cc(F)c(NN)c(Cl)c1
+FC(F)(F)c1cc(F)ccc1B(O)O
+FC(F)(F)c1cc(F)ncc1
+FC(F)(F)c1cc(N(C)C)cc(c1)Br
+FC(F)(F)c1cc(N)c(cc1)Cl
+FC(F)(F)c1cc(N)cc(c1NC(=O)C)Br
+FC(F)(F)c1cc(N)nc(C(=O)OC)c1
+FC(F)(F)c1cc(N2C(=O)NC(c3ccc(C#N)cc3Br)C(C(OCC)=O)=C2C)ccc1
+FC(F)(F)c1cc(N2C(C)=CC=C(C2=O)C(=O)O)ccc1
+FC(F)(F)c1cc(N2CCNCC2)nc(C)c1
+FC(F)(F)c1cc(NC(=O)Cc2c(F)cc(cc2)Br)cnc1C(C)=O
+FC(F)(F)c1cc(NC(c2cc(I)c(C)cc2)=O)ccc1CN3CCN(CC3)CCO
+FC(F)(F)c1cc(NC)ccc1
+FC(F)(F)c1cc(O)ccc1F
+FC(F)(F)c1cc(O)nc2cccc(O)c12
+FC(F)(F)c1cc(OCc2ccccc2)ccc1Br
+FC(F)(F)c1cc(Oc2cc(ccc2)C=O)ccc1
+FC(F)(F)c1cc(Oc2cccc(C(=O)O)c2)ccc1
+FC(F)(F)c1cc(S(=O)(=O)CCSc2ncccc2[N+]([O-])=O)ccc1
+FC(F)(F)c1cc(S)ccc1
+FC(F)(F)c1cc([N+](=O)[O-])c(cc1)NC
+FC(F)(F)c1cc([N+](=O)[O-])cc(Cl)c1F
+FC(F)(F)c1cc([Sn](CCCC)(CCCC)CCCC)ccc1
+FC(F)(F)c1cc(c(-c2cc(O)c(Cl)cc2F)nc1)Cl
+FC(F)(F)c1cc(c(Br)cc1C)[N+](=O)[O-]
+FC(F)(F)c1cc(c(Cl)cc1)B(O)O
+FC(F)(F)c1cc(c(Cl)nc1)Cl
+FC(F)(F)c1cc(c(F)cc1)O
+FC(F)(F)c1cc(c(NC(=O)OC(C)(C)C)cc1F)[N+](=O)[O-]
+FC(F)(F)c1cc(c(cc1)-c2cc(Cl)ncn2)NC(=O)OC(C)(C)C
+FC(F)(F)c1cc(c(cc1)Br)CO
+FC(F)(F)c1cc(c(cc1)Cl)C(=O)Cl
+FC(F)(F)c1cc(c(cc1)F)C=O
+FC(F)(F)c1cc(c(cc1)I)C(=O)O
+FC(F)(F)c1cc(c(cc1)N)N
+FC(F)(F)c1cc(c(cc1)OCC(=O)OCC)Cl
+FC(F)(F)c1cc(c(cc1)S(=O)(=O)Cl)Cl
+FC(F)(F)c1cc(c(cc1)S(=O)(=O)Cl)[N+]([O-])=O
+FC(F)(F)c1cc(c(cn1)Br)C#N
+FC(F)(F)c1cc(c(nc1)Cl)[N+]([O-])=O
+FC(F)(F)c1cc(c2c(ccc(c2)Br)n1)O
+FC(F)(F)c1cc(c2nc(cn2c1)C(=O)O)Cl
+FC(F)(F)c1cc(cc(Br)c1)C(N(CC(c2ccc(cc2)F)CC=C)C)=O
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(C)OC2CCc3c(cccn3)C2c4ccc(cc4)F
+FC(F)(F)c1cc(cc(Cl)c1N)C(=O)CBr
+FC(F)(F)c1cc(cc(F)c1)S(=O)(=O)NC2c3cnn(c3CCC2)CC(=O)OCC
+FC(F)(F)c1cc(cc([N+](=O)[O-])c1)C(=O)O
+FC(F)(F)c1cc(cc([N+](=O)[O-])c1)OC
+FC(F)(F)c1cc(cc(c1)Br)S(=O)(=O)Cl
+FC(F)(F)c1cc(cc(c1)Cl)C(=O)N(C)OC
+FC(F)(F)c1cc(cc(n1)Cl)CCl
+FC(F)(F)c1cc(ccc1)C(=O)Cl
+FC(F)(F)c1cc(ccc1)C(Nc2ccc(cc2)N)=O
+FC(F)(F)c1cc(ccc1)C2CCC(N2c3ccc(cc3)Oc4ccc(cc4)Cl)=O
+FC(F)(F)c1cc(ccc1)I
+FC(F)(F)c1cc(ccc1)N
+FC(F)(F)c1cc(ccc1)N2C(C)=C(C(NC2=O)c3c([N+](=O)[O-])cc(cc3)C#N)C(=O)O
+FC(F)(F)c1cc(ccc1)N2CCN(CCC2)C(OC(C)(C)C)=O
+FC(F)(F)c1cc(ccc1)N2CCNCC2
+FC(F)(F)c1cc(ccc1)N=C=O
+FC(F)(F)c1cc(ccc1)NC(N)=O
+FC(F)(F)c1cc(ccc1)NC2=C(C(=O)CCC2)C(c3c(cc(cc3)C#N)SC)N
+FC(F)(F)c1cc(ccc1)NC2=CC(CC2)=O
+FC(F)(F)c1cc(ccc1)O
+FC(F)(F)c1cc(ccc1C#N)-n2c(nnn2)CCl
+FC(F)(F)c1cc(ccc1C(=O)Cl)F
+FC(F)(F)c1cc(ccc1C)C(OC)=O
+FC(F)(F)c1cc(ccc1CBr)F
+FC(F)(F)c1cc(ccc1CN2CCC(CC2)C=O)C(F)(F)F
+FC(F)(F)c1cc(ccc1N=C=O)Br
+FC(F)(F)c1cc(ccc1OCCCOC2CCCCO2)Br
+FC(F)(F)c1cc(ccc1[N+](=O)[O-])Br
+FC(F)(F)c1cc(cnc1-c2ccnc(c2)C)CC(=O)OC(C)(C)C
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3nc(cs3)C#C)n1)C
+FC(F)(F)c1cc(n(n1)C)Oc2cccc(n2)C#N
+FC(F)(F)c1cc(nc(Cl)c1C(=O)N)Cl
+FC(F)(F)c1cc(nc(c1C#N)Cl)Cl
+FC(F)(F)c1cc(ncc1)N
+FC(F)(F)c1cc(ncn1)O
+FC(F)(F)c1cc2CCC(P(OCC)(OCC)=O)N3C(C(=O)Nc(c1)c23)=O
+FC(F)(F)c1cc2CNCCc2cc1
+FC(F)(F)c1cc2N(C(CC(=O)c2cc1F)C)C(OCc3ccccc3)=O
+FC(F)(F)c1cc2c(NC(CC2N)CC)cc1
+FC(F)(F)c1cc2c(c(Cl)ccn2)cc1
+FC(F)(F)c1cc2c(cc1)ccn2C(C)(C)C(=O)O
+FC(F)(F)c1cc2c(cc1C)C(CCCN2)=O
+FC(F)(F)c1cc2c(nc1)CCN(C(=O)C3(CCNC3)COC)C2
+FC(F)(F)c1cc[nH]c1C(=O)OC
+FC(F)(F)c1ccc(-c2cc(ccc2OC)C(C)C)c(c1)C=O
+FC(F)(F)c1ccc(-c2ncnc(Nc3ccc(cc3)OC)c2[N+]([O-])=O)c(F)c1
+FC(F)(F)c1ccc(B(O)O)c(c1)OC
+FC(F)(F)c1ccc(Br)c(CBr)c1
+FC(F)(F)c1ccc(Br)cn1
+FC(F)(F)c1ccc(C#N)c(n1)Cl
+FC(F)(F)c1ccc(C(=O)Cl)c(c1)F
+FC(F)(F)c1ccc(C(CC)=CC)c2N(C(=O)Nc12)C
+FC(F)(F)c1ccc(C(O)=O)c(OC)c1
+FC(F)(F)c1ccc(C(OC)=O)c(c1)C2CC2
+FC(F)(F)c1ccc(C(OCC)=O)c(OCC)c1
+FC(F)(F)c1ccc(C)c(c1)Br
+FC(F)(F)c1ccc(C=CC(OC)=O)c(Cl)n1
+FC(F)(F)c1ccc(C=O)c(c1)F
+FC(F)(F)c1ccc(CN2C(=O)C(=O)c3c2cccc3)o1
+FC(F)(F)c1ccc(COc2ccnc(O)c2)cn1
+FC(F)(F)c1ccc(Cl)c(-c2[nH]c(cc2C(OCC)=O)-c3nc(ncc3)N)c1
+FC(F)(F)c1ccc(Cl)c([N+](=O)[O-])c1
+FC(F)(F)c1ccc(Cl)nn1
+FC(F)(F)c1ccc(F)c(Br)c1
+FC(F)(F)c1ccc(N)c(c1)Cl
+FC(F)(F)c1ccc(N=C=O)c(Cl)c1
+FC(F)(F)c1ccc(OC)c(c1)C(C)=O
+FC(F)(F)c1ccc(OCc2c(F)cc(cc2)F)c(c1)B(O)O
+FC(F)(F)c1ccc(OCc2ccccc2)c(B(O)O)c1
+FC(F)(F)c1ccc(Oc2cc(Br)cc(c2)Br)nc1
+FC(F)(F)c1ccc(c(-c2n(ncc2)C)c1)B(O)O
+FC(F)(F)c1ccc(c(C(=O)O)c1)N
+FC(F)(F)c1ccc(c(CO)c1)Cl
+FC(F)(F)c1ccc(c(N)c1)O
+FC(F)(F)c1ccc(c(N)n1)C(=O)OC
+FC(F)(F)c1ccc(c(N=C=O)c1)F
+FC(F)(F)c1ccc(c(O)n1)C(=O)OC
+FC(F)(F)c1ccc(c(c1)Br)I
+FC(F)(F)c1ccc(c(c1)[N+](=O)[O-])NCCCCl
+FC(F)(F)c1ccc(c(c1)[N+]([O-])=O)F
+FC(F)(F)c1ccc(cc1)-c2[nH]c(nc2C)N
+FC(F)(F)c1ccc(cc1)-c2c(cc(cc2C)O)C
+FC(F)(F)c1ccc(cc1)-c2c(cccc2)C(Cl)=O
+FC(F)(F)c1ccc(cc1)-c2c[nH]c(Cc3ccc(cc3)Br)n2
+FC(F)(F)c1ccc(cc1)-c2cc(cc(C(CC(C)C)C(OCC)=O)c2)-c3cnccc3
+FC(F)(F)c1ccc(cc1)-c2cc(ncn2)Cl
+FC(F)(F)c1ccc(cc1)-c2ccc(CC(=O)O)c(C)n2
+FC(F)(F)c1ccc(cc1)-c2ccc3c(c2)C(C)(C)CN3
+FC(F)(F)c1ccc(cc1)-c2coc(CC(OCC)=O)n2
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(=O)C)c2O
+FC(F)(F)c1ccc(cc1)-c2n(c(cn2)C)C
+FC(F)(F)c1ccc(cc1)-c2nc(C(C)C)c(o2)C(C(=O)OCC)C
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(C=O)s2
+FC(F)(F)c1ccc(cc1)-c2nc(Cl)ncc2
+FC(F)(F)c1ccc(cc1)-c2nc(c(CCl)s2)C
+FC(F)(F)c1ccc(cc1)-c2nc(c(o2)C)CCl
+FC(F)(F)c1ccc(cc1)-c2nc(c(s2)CCO)C
+FC(F)(F)c1ccc(cc1)-c2nc(c3ccccc3n2)C(O)=O
+FC(F)(F)c1ccc(cc1)-c2nc(nc(c2)C)O
+FC(F)(F)c1ccc(cc1)-c2nc3c(CNCC3)s2
+FC(F)(F)c1ccc(cc1)-c2ncc(c(C3CC3)n2)C(=O)OCC
+FC(F)(F)c1ccc(cc1)-c2nn(C)c(CO)c2C
+FC(F)(F)c1ccc(cc1)-c2nn(c(C(OCC)=O)c2)C
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(OC)c3
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(c3)OS(=O)(=O)C(F)(F)F
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(c(OC)c3)C=4NOC(=O)N=4)c(CCCOCc5ccccc5)n2
+FC(F)(F)c1ccc(cc1)-c2sc(c(n2)C)C(CC)O
+FC(F)(F)c1ccc(cc1)-c2sc(c(n2)C)CCC(c3cc(C)c(O)cc3)=O
+FC(F)(F)c1ccc(cc1)B(O)O
+FC(F)(F)c1ccc(cc1)Br
+FC(F)(F)c1ccc(cc1)C(=O)Cl
+FC(F)(F)c1ccc(cc1)C(=S)N
+FC(F)(F)c1ccc(cc1)C(CBr)=O
+FC(F)(F)c1ccc(cc1)C23C(CNC2)C3
+FC(F)(F)c1ccc(cc1)C=CC(=O)N
+FC(F)(F)c1ccc(cc1)C=Cc2nc(C(OCC)=O)co2
+FC(F)(F)c1ccc(cc1)C=O
+FC(F)(F)c1ccc(cc1)CBr
+FC(F)(F)c1ccc(cc1)CC(O)=O
+FC(F)(F)c1ccc(cc1)CCC(=O)O
+FC(F)(F)c1ccc(cc1)CCC2CCC(CC2)C3CCC(CC3)CCC4OCCCO4
+FC(F)(F)c1ccc(cc1)CN
+FC(F)(F)c1ccc(cc1)CN=C=O
+FC(F)(F)c1ccc(cc1)CN=[N+]=[N-]
+FC(F)(F)c1ccc(cc1)CO
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCC(OCC)=O)C
+FC(F)(F)c1ccc(cc1)Cn2cc([N+]([O-])=O)cn2
+FC(F)(F)c1ccc(cc1)I
+FC(F)(F)c1ccc(cc1)N
+FC(F)(F)c1ccc(cc1)N2CCNCC2
+FC(F)(F)c1ccc(cc1)N=C=O
+FC(F)(F)c1ccc(cc1)NC(c2ccc(c(c2)C)C#N)=O
+FC(F)(F)c1ccc(cc1)Nc2nc(C=C)ncn2
+FC(F)(F)c1ccc(cc1)O
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Cl
+FC(F)(F)c1ccc(cc1)[Mg]Br
+FC(F)(F)c1ccc(cc1C(Cl)=O)F
+FC(F)(F)c1ccc(cn1)-c2cc(ncc2Cl)C(=O)OC
+FC(F)(F)c1ccc(cn1)-n2c(cnc2)-c3c(F)cc(cc3F)OC
+FC(F)(F)c1ccc(cn1)CC(O)=O
+FC(F)(F)c1ccc(cn1)Nc2ncc(-c3ccc(cc3)C4CCN(CC4)C(OC(C)(C)C)=O)cc2
+FC(F)(F)c1ccc2CCC(c2c1)N3C(C)CNCC3
+FC(F)(F)c1ccc2CCCNc2c1
+FC(F)(F)c1ccc2N(CC(=O)OC)C(C=Cc2c1)=O
+FC(F)(F)c1ccc2NC(CC)CC(NC(OCc3ccccc3)=O)c2c1
+FC(F)(F)c1ccc2c(c(C(=O)OCC)c(nc2c1)SCC)O
+FC(F)(F)c1ccc2c(c(Cl)ncn2)c1
+FC(F)(F)c1ccc2c(c1)ncc(C(=O)OCC)c2O
+FC(F)(F)c1cccc(-c2ncc(N)nc2)c1
+FC(F)(F)c1cccc(B(O)O)c1
+FC(F)(F)c1cccc(C(=O)Nc2ccc(O)c(-c3n(C)ncc3Cl)c2)c1
+FC(F)(F)c1cccc(C(=O)O)c1N
+FC(F)(F)c1cccc(C(=O)OC)c1
+FC(F)(F)c1cccc(C=O)c1
+FC(F)(F)c1cccc(C=O)n1
+FC(F)(F)c1cccc(CC(=O)O)c1
+FC(F)(F)c1cccc(CC(CN2C(=O)c3c(C2=O)cccc3)N)c1
+FC(F)(F)c1cccc(CCN)c1
+FC(F)(F)c1cccc(CN)c1
+FC(F)(F)c1cccc(Cl)c1C(=O)O
+FC(F)(F)c1cccc(F)c1CN2C(N(C(=O)C(=C2C)Br)CC(NC(=O)OC(C)(C)C)c3ccccc3)=O
+FC(F)(F)c1cccc(N2C(C)=CN=C(C(OC)=O)C2=O)c1
+FC(F)(F)c1cccc(N2C(c3c(NCCOC)non3)=NOC2=O)c1
+FC(F)(F)c1cccc(N=C(N)N)c1
+FC(F)(F)c1cccc(S(=O)(=O)Cl)c1
+FC(F)(F)c1cccc(c1)C(C(N)c2cc(ncc2)F)O
+FC(F)(F)c1cccc(c1)S(=O)(=O)N(C2CC2)C3CCNCC3
+FC(F)(F)c1cccc(c1F)C(=O)C
+FC(F)(F)c1cccc(n1)N
+FC(F)(F)c1cccc2C(=O)OC(C(CC)NC(=O)OC(C)(C)C)=Nc12
+FC(F)(F)c1ccccc1-c2[nH]cc(C(OC)=O)c2C
+FC(F)(F)c1ccccc1-c2nc(O)c3c(c2)ccc(c3)N
+FC(F)(F)c1ccccc1-c2nc(OC)c([N+](=O)[O-])c(c2)N
+FC(F)(F)c1ccccc1B(O)O
+FC(F)(F)c1ccccc1C=CC(=O)C
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)N(C(C)(C)C)C(=O)O
+FC(F)(F)c1ccccc1CN
+FC(F)(F)c1ccccc1I
+FC(F)(F)c1ccccc1S(=O)(=O)Cl
+FC(F)(F)c1cccnc1N2CCNCC2
+FC(F)(F)c1ccnc(COC(=O)C)c1
+FC(F)(F)c1ccnc(NC(Nc2ccc(cc2)-c3c(C=O)cn4c3c(N)ncn4)=O)c1
+FC(F)(F)c1ccnc(n1)Cl
+FC(F)(F)c1ccnnc1O
+FC(F)(F)c1cn2nc(-c3cccc(F)c3)c(C(=O)OC)c2cc1
+FC(F)(F)c1cnc(Cl)c(c1)C(=O)O
+FC(F)(F)c1cnc(Cl)cn1
+FC(F)(F)c1cnc(Oc2ccc(cc2)O)cc1
+FC(F)(F)c1cnc(c(F)c1)F
+FC(F)(F)c1cnc(cc1)Cl
+FC(F)(F)c1cnc(cc1)N
+FC(F)(F)c1cnc(cc1)OCCCO
+FC(F)(F)c1cnc(nc1)Cl
+FC(F)(F)c1n(C)nc(c1)-c2cc(F)ccc2F
+FC(F)(F)c1n2c(nn1)ccc(Cl)n2
+FC(F)(F)c1n2ncc(c2nc(-c3ccc(c(c3)C)C(F)(F)F)c1)C(=O)O
+FC(F)(F)c1n[nH]cc1CCO
+FC(F)(F)c1nc(C(=O)CBr)cs1
+FC(F)(F)c1nc(Cl)c(c(Cl)n1)[N+](=O)[O-]
+FC(F)(F)c1nc(Cl)ncc1C(=O)OC
+FC(F)(F)c1nc(Cl)sc1C(=O)OCC
+FC(F)(F)c1nc(N)c(C(OCC)=O)nc1
+FC(F)(F)c1nc(N2CCNCC2)ccc1
+FC(F)(F)c1nc(c(cc1)C(O)=O)C
+FC(F)(F)c1nc(c(cc1)CN)N2CCC(CC2)C
+FC(F)(F)c1nc(c2CNCCn12)C(=O)O
+FC(F)(F)c1nc(cc(CBr)c1)Cl
+FC(F)(F)c1nc(ccc1)-c2cccc(-c3ccc(c(OC)c3)OCc4ccccc4)c2
+FC(F)(F)c1nc(ccc1)Br
+FC(F)(F)c1nc(ccc1)C(O)=O
+FC(F)(F)c1nc(nc(c1)Cl)-c2ccncc2
+FC(F)(F)c1nc(ncc1C(OCc2ccccc2)=O)Cl
+FC(F)(F)c1nc(sc1)-c2c(cnc(NC(NCC)=O)c2)B(O)O
+FC(F)(F)c1ncc(-c2cc(C)nc(n2)O)cc1
+FC(F)(F)c1ncc(CCl)cc1
+FC(F)(F)c1ncc(cc1)B(O)O
+FC(F)(F)c1ncc(cc1)N
+FC(F)(F)c1ncc(cn1)Oc2c(F)cc(cc2F)CCOC(=N)N
+FC(F)(F)c1nccc(B(O)O)c1
+FC(F)(F)c1nccc(O)c1
+FC(F)(F)c1nccc(c1)NC2=C(C(c3ccc(cc3Br)C#N)N)C(=O)CC2
+FC(F)(F)c1nccc(n1)Cl
+FC(F)(F)c1nn(-c2c(Cl)cccn2)c(c1)C(=O)O
+FC(F)(F)c1nn(C)c(-c2ccc(cc2F)N)c1
+FC(F)(F)c1nn(C)cc1C(=O)Cl
+FC(F)(F)c1nn(CC(N2CCC(CC2)C#N)=O)c(C)c1
+FC(F)(F)c1nn(CC(O)=O)c(C)c1
+FC(F)(F)c1nn(c(C(=O)O)c1)-c2ccccc2
+FC(F)(F)c1nnc(s1)Cl
+FC(F)(F)c1nnc2CN(c3n4ccnc(Cl)c4cn3)CCn12
+FC(F)(F)c1nnnn1-c2ccc(cc2)OCc3ccccc3
+FC(F)(F)c1noc2c(CCC)c(O)ccc12
+FC(F)(F)c1sc(nc1)N2CCNCC2
+FC(F)(OC(C)=O)Cl
+FC(F)(Oc1c(nccc1)Br)C
+FC(F)(SCC)C(=O)c1c(cc(F)cc1)F
+FC(F)(c1ccc(cc1Cl)Cl)CBr
+FC(F)(c1ccc(cn1)F)C(=O)O
+FC(F)(c1ccccc1)C(=O)Nc2c(c(CCO)c(N)cc2)F
+FC(F)(c1ncc(Br)cc1)C(=O)c2c(F)cc(F)cc2
+FC(F)=C(CCO)C
+FC(F)C(=O)CCCC
+FC(F)C(=O)Nc1ncccc1
+FC(F)C(CC#N)=O
+FC(F)C(O)=O
+FC(F)C1(NC(=O)COC1)c2c(F)c(ccc2)F
+FC(F)CBr
+FC(F)CO
+FC(F)COc1c(C(=O)OCC)cc([N+]([O-])=O)c(NC)c1
+FC(F)COc1c(cc(c(c1)NC)[N+](=O)[O-])C(=O)Nc2ccc(cc2)Br
+FC(F)COc1ccc(cc1)CC(O)=O
+FC(F)Cl
+FC(F)Cn1ncc(N)c1
+FC(F)OCC(N)C(=O)O
+FC(F)OCC1CC(C1)C(OCC)=O
+FC(F)Oc1c(Cl)nccc1
+FC(F)Oc1c(F)c(C(=O)OCC)cc(F)c1F
+FC(F)Oc1c(O)cc(cc1)C=O
+FC(F)Oc1c(OCC)cc(cc1)C(CC(OC)=O)N
+FC(F)Oc1c(ccc(CC(O)=O)c1)Cl
+FC(F)Oc1cc(-n2ncc(C(=O)OCC)c2C)nn1C
+FC(F)Oc1cc(nn1C)NN
+FC(F)Oc1ccc(-c2ccc(Cl)nn2)cc1OC
+FC(F)Oc1ccc(cc1Cl)F
+FC(F)Oc1ccc2c(c1)cc(C(OC)=O)c(n2)C(OC)=O
+FC(F)Oc1cccc(N)c1
+FC(F)Oc1ccccc1CBr
+FC(F)c1[nH]c2c(n1)cccc2
+FC(F)c1[nH]c2cccc(OC)c2n1
+FC(F)c1c(C(OCC)=O)cc(CN)cn1
+FC(F)c1c(C(OCC)=O)ccc(n1)O
+FC(F)c1c(cc(C#N)c(O)n1)C(=O)OCC
+FC(F)c1c2c(nn(c2)C)nc(Cl)c1
+FC(F)c1cc(N)c(cc1)C(=O)OC
+FC(F)c1n[nH]c(C)c1Br
+FC(F)c1nn(C)c(c1C(=O)O)F
+FC(F)c1nn(C)cc1C(=O)Cl
+FC(F)c1nn(C)cc1C(O)=O
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3nc(C4=NOC(c5ccccc5C=O)C4)cs3
+FC1(F)C(C(=O)O)C1
+FC1(F)C(C2c3c(NC(=O)C2)cccc3)C1
+FC1(F)C(F)(F)CNC1
+FC1(F)C(N)C(N)CCC1
+FC1(F)CC(CC1)N(c2c(cnc(Cl)n2)[N+]([O-])=O)CC(C)(C)C(OC)=O
+FC1(F)CCC(C1)C(=O)O
+FC1(F)CCC(CC1)CO
+FC1(F)CCCC(C1)CN
+FC1(F)CNCC1
+FC1(F)CNCCC1
+FC1(F)Oc2c(O1)ccc(C=O)c2
+FC1(F)Oc2c(O1)ccc(NCC)c2
+FC1(F)Oc2c(cc(C=CC(=O)O)cc2)O1
+FC1(F)Oc2c(ccc(C(O)=O)c2)O1
+FC1(F)Oc2c(cccc2N3N=C(C(C(OC)=C3)=O)C(=O)OC)O1
+FC1(F)Oc2cc(c(cc2O1)-c3cnc(cn3)NC(c4ccccc4F)=O)C
+FC1(F)Oc2cc(ccc2O1)C3(CC3)C(=O)O
+FC1(F)Oc2cc(ccc2O1)N
+FC1(F)Oc2cccc(c2O1)N
+FC1CC1N2c3c(c([N+](=O)[O-])c(c(F)c3C)F)C(C(C(=O)OCC)=C2)=O
+FC1CN(C(=O)CO)C(C1)C(=O)N
+FCC(=O)O
+FCC(=O)OC
+FCC(CF)(C(=O)C)C
+FCC1(CF)Oc2ccc([N+](=O)[O-])cc2C(C(OCC)=O)=C1
+FCCI
+FS(F)(F)N(CC)CC
+F[B-](F)(F)C=C
+F[B-](F)(F)F
+Fc1c(C)ccc(CC2CCCN2CC(COC(c3c(cccc3)CCC(OC)=O)C)O)c1
+Fc1c(CCN)cccc1
+Fc1c(CCO)cccc1
+Fc1c(CCl)cccc1
+Fc1c(CNCC)cccc1
+Fc1c(CO)cccc1
+Fc1c(Cn2c3nc(N)nc(c3nc2)C#N)cccc1
+Fc1c(F)c(c(F)c(F)c1C(=O)O)N
+Fc1c(F)c(c(F)c(F)c1F)OS(=O)(=O)c2ccc3c(cc(nc3Br)Cl)c2
+Fc1c(F)c(c(c(F)c1C(CC(=O)OCC)=O)F)F
+Fc1c(F)c(c(c(F)c1N)F)Br
+Fc1c(F)cc(F)c(F)c1
+Fc1c(F)ccc(Br)c1
+Fc1c([N+](=O)[O-])c(c(F)c(c1)F)F
+Fc1c(cc(N)c(c1)C(O)=O)F
+Fc1c(cc([N+]([O-])=O)c(F)c1C(O)=O)F
+Fc1c(cc(c(Cl)c1)Oc2c(O)cccc2)NC(C)=O
+Fc1c(cc(c(c1)C(=O)O)Cl)F
+Fc1c(ccc(OCC)c1F)Br
+Fc1cc(C(=O)Cl)ccc1F
+Fc1cc(C(=O)O)ccc1F
+Fc1cc(C(O)=O)c(Br)cc1F
+Fc1cc(C(O)=O)c(cc1F)C
+Fc1cc([N+]([O-])=O)c(cc1C)F
+Fc1cc(c(F)cc1C)C(=O)O
+Fc1cc(c(F)cc1F)C#N
+Fc1cc(c(cc1F)[N+]([O-])=O)C(O)=O
+Fc1cc(cc(F)c1)C#C
+Fc1cc(cc(F)c1)CC(=O)O
+Fc1cc(cc(F)c1)CC(N)c2c(-c3ccc(c(c3)C(N)=O)F)cccn2
+Fc1cc(cc(F)c1)OC
+Fc1cc(cc(F)c1)[N+](=O)[O-]
+Fc1cc(cc(F)c1C(=O)O)F
+Fc1cc(cc(F)c1F)Br
+Fc1cc(cc(F)c1F)C#N
+Fc1cc(cc(F)c1F)C(=O)C
+Fc1cc(cc(F)c1F)[N+]([O-])=O
+Fc1cc(cc(F)c1N2CCN(CC2)C(C)=O)N
+Fc1cc(cc(F)c1O)CCC(=O)OCC
+Fc1cc(cc(F)c1O)F
+Fc1cc(cc(F)n1)-c2ccnc(Cl)n2
+Fc1cc(ccc1F)C#N
+Fc1cc(ccc1F)N(C(N)=O)O
+Fc1cc2N=C(OCC)CC(Nc2cc1F)=O
+Fc1cccc(F)c1-n2c3c(cn2)cc(c(O)n3)Br
+Fc1cccc(F)c1C(=O)CBr
+Fc1cccc(F)c1C(=O)O
+Fc1cccc(F)c1C=O
+Fc1cccc(F)c1CBr
+Fc1cccc(F)c1CCO
+Fc1cccc(F)c1CS(=O)(=O)N
+Fc1cccc(F)c1N2C(C=Cc3c(Cl)nc(SC)nc23)=O
+Fc1cccc(F)c1S(=O)(=O)Cl
+Fc1ccccc1CC(O)=O
+Fc1cn(cc1F)-c2cc(c(cc2)NN=C(C(=O)COC)C(=O)OC)OCc3ccccc3
+Fc1cncc(F)c1
+Fc1cncc(F)c1NC(c2c(cccc2Cl)F)=O
+Fc1nccc(C)c1
+I
+ICI
+II
+I[Mg]C
+Ic1[nH]cnc1
+Ic1c(Br)cnc(Cl)c1
+Ic1c(CBr)cnc(F)c1
+Ic1c(Cl)ncc(C(=O)O)c1
+Ic1c(Cl)nccc1
+Ic1c(F)cnc(Cl)c1
+Ic1c(c(ccc1)C(=O)O)C
+Ic1c(ccnc1)C(=O)OC
+Ic1c2CCCNc2ncc1
+Ic1c2c([nH]c1)c(Cl)ccn2
+Ic1c2c([nH]cc2)ncn1
+Ic1c2c(n(C3CCNC3)n1)ncnc2N
+Ic1c2c(n(C3COCCNC3)n1)ncnc2N
+Ic1c2c(n(CC)n1)ncnc2N
+Ic1cc(c(Cl)nc1)[N+](=O)[O-]
+Ic1cc2nccc(Cl)c2s1
+Ic1cccnc1
+Ic1cccs1
+Ic1ccnc(Cl)c1
+Ic1ccnc(Cl)c1C=O
+Ic1ccnc(F)c1C
+Ic1ccnc(F)c1C=O
+Ic1ccnc(F)c1Cl
+Ic1ccnc(O)c1
+Ic1ccnc(SC)n1
+Ic1ccnc2n[nH]cc12
+Ic1cn[nH]c1
+Ic1n[nH]c2ncnc(N)c12
+Ic1nc(c(Cl)cc1O)Cl
+Ic1nn(cc1-c2nc(SC)ncc2)C3CCCCO3
+N
+N#C
+N#CB
+N#CBr
+N#CC
+N#CC(=C)Cl
+N#CC(C#N)=C(C)c1cc2ccc(N(CCO)C)cc2cc1
+N#CC(C#N)=C1C(C#N)=C(c2ccc(cc2)F)C(C)(C)O1
+N#CC(C#N)=COCC
+N#CC(N)C(=O)N
+N#CC1CCCN1C(=O)CBr
+N#CC1CCCNC1
+N#CC=C
+N#CCBr
+N#CCC(=O)C
+N#CCC(=O)Cl
+N#CCC(=O)N
+N#CCC(=O)NC
+N#CCC(=O)NN
+N#CCC(=O)O
+N#CCC(=O)OC
+N#CCC(N)=S
+N#CCC(c1cccnc1)=O
+N#CCCCCBr
+N#CCCCC[Zn+]
+N#CCCl
+N#CCN
+N#CCc1ccco1
+N#CN
+N#Cc1c(Br)cc(O)nc1
+N#Cc1c(Br)cc(cc1)-n2c3nccc(-c4cc5c(nc4)cccc5)c3c(C)c2
+N#Cc1c(C#N)nc(Cl)c(n1)Cl
+N#Cc1c(Cl)[nH]c(-c2ccc(c(c2)Cl)Cl)c1
+N#Cc1c(F)cccn1
+N#Cc1c(O)cccc1
+N#Cc1c(O)ccnc1
+N#Cc1c(O)nc(SC)nc1
+N#Cc1c(cccc1)CCl
+N#Cc1c(cccc1)Cl
+N#Cc1c(cccc1)F
+N#Cc1c(n[nH]c1)C
+N#Cc1c2c(N)ncnc2n(c1)C3OC(CO)C(C3O)O
+N#Cc1c2c(n[nH]1)cccc2
+N#Cc1cc(Br)c2c(CC(C)O2)c1Cl
+N#Cc1cc(C(=O)O)[nH]c1
+N#Cc1cc(cnc1N)C#N
+N#Cc1ccc(O)c(F)c1F
+N#Cc1ccc([N+]([O-])=O)cc1[N+]([O-])=O
+N#Cc1ccc(c(C#N)c1C)SC#N
+N#Cc1ccc2cc([N+]([O-])=O)cc(-c3c4ccccc4ccc3)c2n1
+N#Cc1ccc[nH]1
+N#Cc1ccccc1Br
+N#Cc1ccccc1C
+N#Cc1ccccc1CCO
+N#Cc1cccn1C
+N#Cc1ccnc(C)c1
+N#Cc1ccnc(Cl)c1
+N#Cc1ccnc(F)c1
+N#Cc1ccsc1I
+N#Cc1csc(C)n1
+N#Cc1nccc(Br)c1
+N#[C-].N#[C-].[Cu+2]
+N(=C(C(OCC)=O)c1csc(N)n1)OCCBr
+N(=C=O)CCCCC
+N(=C=S)c1cc(F)ccc1
+N(=Cc1cccc(F)c1)OC
+N(=Nc1c([N+]([O-])=O)cccc1)c2c(O)ccc(CCO)c2
+N(=[N+]=[N-])CC(=O)OC
+N(=[N+]=[N-])CC(OCC)=O
+N(=[N+]=[N-])CCC(C(=O)OC)N
+N(=[N+]=[N-])CCN
+N(Br)C(CCC(N)=O)=O
+N(C(=O)C=NO)c1c(C)cccc1
+N(C(=O)OCc1cc2c(OCO2)cc1)C3=NC(=O)N(CC(=O)OCC)C=C3
+N(C(Cl)=O)=C=O
+N(C(c1ncnc(C(OC)=O)c1)=O)Cc2cc(c(cc2)F)C
+N(C)C(COc1cccc(C)c1C)C
+N(C)c1cccc(C)c1
+N(C)c1cccc(OC)c1
+N(C)c1cccc(c1)O
+N(C=O)c1scc(C(C(O)=O)=NOCC(OCC)=O)n1
+N(CCCO)c1c(N)c(Cl)ccc1C(=O)OC
+N(CCCOC)c1c([N+]([O-])=O)cccc1C(=O)OC
+N(CCNCC)CC
+N(CCOCCOCCOCCN=[N+]=[N-])=[N+]=[N-]
+N(N=CC(=O)C)C
+N(O)C(=O)C
+N(O)C(c1cc(c(c(C)c1)O)CC)=N
+N(O)C(c1nccnc1)=N
+N(OC)C
+N(c1c(cc2c(nc(O)c(n2)O)c1[N+](=O)[O-])Cl)C(=O)OCC
+N(c1c(cccc1)OCC)=C=O
+N(c1c(cccc1)[N+]([O-])=O)N
+N(c1cccc2NC(Oc12)=O)C=3C(C(=O)C=3OCC)=O
+N1(C(=CC(=O)NC1=O)Cl)CCCC
+N1(C(=O)C)c2cc(C)cc(C)c2C(C1)CCOC(C)=O
+N1(C(=O)C=C(C=C1C)OCc2ccc(cc2CN)F)c3c(C)ccc(c3)C(=O)OC
+N1(C(=O)C=C(C=C1C)OCc2ccc(cc2F)F)c3c(C)ccc(c3)C(=O)OC
+N1(C(=O)C=C(C=C1C)OCc2ccc(cc2F)F)c3c(C)cnc(c3)C(=O)OC
+N1(C(=O)NC(N(Br)C1=O)=O)Br
+N1(C(C)=CC(O)=CC1=O)CC(=O)O
+N1(C(C2(c3c(ccnc3)OC2)c4ccccc14)=O)CCCCC
+N1(C(CCC1CO)=O)CCCCCl
+N1(C(CNC(C)C1)C)c2cc(Cl)c(cc2)C#N
+N1(C)CCc2ccc(cc2N(CC1)N)F
+N1(CC(F)CC1C(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(=O)Cn4c5CCCCc5c(n4)C(=O)OCC
+N1(CCC(C1=O)N)C
+N1(CCCC1=O)C
+N1(CCCc2ccc(C(=O)OC)c(N)c12)C
+N1(CCN(C(=O)C1C)CCCO)C(C=Cc2cc(Cl)c(F)cc2)=O
+N1(CCNC1=O)C
+N1(CCNCCC1)C
+N1(CCc2c(CC1)ccc(N)c2)CCOC
+N1(N=C(C(=O)c2cccnc12)C(=O)OCC)c3cccc(c3)Br
+N1(c2c(OCC1=O)cccc2)C
+N1(c2c(cccc2)F)C(C=C(C)N1)=O
+N1(c2c(csc2)C(Nc3ccccc13)=O)C
+N1(c2ncc(cc2C(Nc3c1nc(cc3C)Cl)=O)Br)CC
+N1(c2ncccc2N(C(c3cc(CCO)cnc13)=O)C)CC
+N12C(C)Cc3c(c(cc(C(C(=C1)C(=O)O)=O)c23)F)F
+N12C(CNCc3c1c(ccc3)C(CO)CC2)C
+N12CCCC(C1=NC(C)=C(C2=O)CCCl)O
+N12CCCC1=C(C(Cl)=CC2=O)C(=O)OC
+N12N=C(c3cc([N+]([O-])=O)ccc3)C(=CC1=NNC2=O)C
+N1=C(C=C2N(CCCN2C1=O)C)Cl
+N1=C(Cl)C=C2c3ccc(OC)cc3CCN2C1=O
+N1C(=O)C(C(NC1=O)=O)=O
+N1C(=O)C(C)N2C(=N1)COc3cc(ccc23)Br
+N1C(=O)CN2c3c1cccc3C4CN(C(=O)OCC)CCC24
+N1C(=O)Cc2c1cccc2CCO
+N1C(=S)NC(=CC1=O)C
+N1C(=S)SCC1=O
+N1C(C(OC)=O)CNCC1
+N1C(C)CCCC(C)C1
+N1C(C)CCCC1
+N1C(C)CNCC1
+N1C(C=C(C)N1)=O
+N1C(N2C=C(Br)C=CC2=N1)=O
+N1C(NC(CCC)=CC1=O)=S
+N1C(SCC1=S)=O
+N1C(SCC1C(O)=O)c2ccccc2O
+N1C2=C(CCC2OC)C(NC1=S)=O
+N1CC(CC(C(=O)O)C1)O
+N1CC2(CC1)CN(CC)CC2
+N1CC2CCCNC2C1
+N1CCC(c2c(OC)cccc2)C1
+N1CCC(c2c1cccc2)C(OC)=O
+N1CCCCC(N)C1=O
+N1CCCCC1c2c(cc(c(C)c2)N)C
+N1CCN(c2c3c(cc(c2)F)nc(C)cc3)CC1C
+N1CCN(c2c3c(ccnc3)c(Cl)nn2)CC1C
+N1CCNC1=N
+N1Cc2c([nH]c3c(C)ccc(c23)F)CC1
+N1Cc2c(ccc(c2)O)CC1
+N1Cc2ccc(Cl)nc2CC1
+N1Cc2ccc(cc2CC1)C(C)NC(C)=O
+N1N=C(N(C1=S)C)CCCCO
+N1N=C(N(C1=S)C)c2sc(C)nc2C
+N1N=NC(=O)N1c2c(Cl)cccc2
+N1c2c(CCCC1=O)c(F)ccc2
+N1c2c(OC1=O)cc(cc2C)O
+N1c2c(SCC1=O)cc(Cl)c(C(=O)O)n2
+N1c2c(ccc(O)c2)CCC1=O
+N1c2c(cccc2)Nc3sc(C)cc3C1=N
+N1c2cc(Cl)c(Br)nc2CC1=O
+N1c2cc(ccc2CCC1=O)F
+N1c2ccccc2NC1=S
+N1c2cnc3c(cc[nH]3)c2N(C4C(C)CCNC4)C1=O
+N=1N(C)C(CC=1)=O
+N=1N(CC)C(CC=1)=O
+N=1N(c2nccc(C#N)c2)C(CC=1)=O
+N=1NC(=O)N(c2c(C)c([N+]([O-])=O)ccc2)N=1
+N=C(C(OCC)=O)NO
+N=C(CCC)NO
+N=C(CCOC)NO
+N=C(N)C
+N=C(N)CC
+N=C(N)NN
+N=C(N)c1c(F)cccn1
+N=C(NO)C
+N=C(OCC)CC#N
+N=C(OCC)NO
+N=C(OCC)c1ccc(OC)cc1OCC
+N=C(SC)N
+N=C(SC)Nc1cc(F)c(cc1)-n2c(C)nc(n2)C
+N=C(c1ccco1)N
+N=C(c1cccs1)SC
+N=C=O
+N=CN
+NC
+NC(=O)C1C2CC(C1N)C=C2
+NC(=O)c1c(cc(OC)cc1OC)N
+NC(=O)c1c(cccc1)NC(=O)c2ccnnc2
+NC(=O)c1c(sc2c1CCCC2)N
+NC(=S)Nc1cccc(OC)c1
+NC(=S)Nc1nccnc1
+NC(C(=O)O)CCCC(=O)O
+NC(C(OC)=O)CCCCN
+NC(C(OC)=O)CNC(c1sccc1)=O
+NC(C)=S
+NC(C)CN
+NC(CC(N)=O)C(=O)O
+NC(CCC(OC)=O)C(=O)O
+NC(CO)C
+NC(N)=N
+NC(N)=N[N+](=O)[O-]
+NC(N)=Nc1c(C)ccc([N+]([O-])=O)c1
+NC(N)=Nc1cccc(CCO)c1
+NC(N)=O
+NC(N)=S
+NC(NC)=S
+NC(c1c([nH]c(-c2cc3c(cccc3)cc2)c1)N)=O
+NC(c1c(c(c(C)c(c1)[N+]([O-])=O)[N+](=O)[O-])N)=O
+NC1(c2cc([N+]([O-])=O)ccc2)CC1CO
+NC1CC(C(=O)O)CC1
+NC1CC(O)CC1
+NC1CCN(c2c3nncn3ccn2)C1
+NC1CCc2cc(OC)ccc2C1
+NC1CCc2cc(ccc2C1)F
+NC1Cc2c(OC1)cccc2OC
+NC=1C(=O)N(C(N(C=1N)CCC)=O)CCC
+NC=1C(I)=CN(C2OC(CO)C(C2)O)C(N=1)=O
+NC=1N(C(NC(=O)C=1)=O)C
+NC=1N(CCCCC)C(NC(=O)C=1)=O
+NC=1NCCCN=1
+NC=1SC(=S)NN=1
+NCCCN
+NCCN
+NCCSSCCN
+NCCc1ccc(c(c1)OC)OC
+NCc1c(Cl)cccc1
+NCc1c(F)cccc1
+NCc1c([N+]([O-])=O)cccc1
+NCc1cccc2ccccc12
+NCc1ccccc1Br
+NCc1ccccc1O
+NCc1ccnc2ccccc12
+NN
+NNC
+NNC(=O)C
+NNC(=O)Cc1ccc(c(Cl)c1)O
+NNC(=O)N
+NNC(=O)c1cc(cnc1)Br
+NNC(CCCCCC)=O
+NNC(N)=S
+NNC(NC)=S
+NNC(c1ccc(C(=O)OC)c(c1)O)=O
+NNC(c1ccc2occc2c1)=O
+NS(N)(=O)=O
+Nc1c(Br)cc(F)cn1
+Nc1c(Br)cccn1
+Nc1c(C#N)c(F)ccc1
+Nc1c(C#N)cnc(Cl)n1
+Nc1c(C(=O)C)cc(c(C)c1)Br
+Nc1c(C(=O)N)c[nH]n1
+Nc1c(C(=O)N)cncn1
+Nc1c(C(=O)O)cc(Br)cn1
+Nc1c(C(=O)O)cnc(SC)n1
+Nc1c(C(=O)OC)cc(C#N)cc1
+Nc1c(C(N)=S)cncn1
+Nc1c(C(Nc2ccc(C)cc2C)=O)cc([N+]([O-])=O)cc1
+Nc1c(C(Nc2cccc(c2C)Br)=O)ccc(OC)c1
+Nc1c(C(c2ccco2)=O)c[nH]n1
+Nc1c(C(c2cccs2)=O)c[nH]n1
+Nc1c(C)c(c(cc1)C#N)Cl
+Nc1c(C)cc(cc1[N+]([O-])=O)Br
+Nc1c(C)ccc(C#N)c1
+Nc1c(C)ccc(C(NC)=O)c1
+Nc1c(C)ccc(F)c1
+Nc1c(C)ccc([N+]([O-])=O)c1
+Nc1c(C)ccc(c1)O
+Nc1c(C)cccc1C(=O)O
+Nc1c(C)cccc1Cl
+Nc1c(C)cccc1O
+Nc1c(C=O)cnc(SC)n1
+Nc1c(C=O)cncc1
+Nc1c(CO)cc(Br)cn1
+Nc1c(Cl)cc(C#N)cc1
+Nc1c(Cl)cc(C)cc1
+Nc1c(Cl)cc(cc1)C(=O)OC
+Nc1c(Cl)cc(cc1)F
+Nc1c(Cl)cc(cc1)O
+Nc1c(Cl)cc(cc1C(=O)O)I
+Nc1c(Cl)ccc(C(=O)O)c1
+Nc1c(Cl)ccc([N+]([O-])=O)c1
+Nc1c(Cl)cccc1C(=O)OC
+Nc1c(Cl)nc(C)cn1
+Nc1c(Cl)nc(Cl)nc1
+Nc1c(Cl)ncc(Br)c1
+Nc1c(F)cc(C)cc1
+Nc1c(F)cc(cc1)C=C
+Nc1c(F)cc(cc1)O
+Nc1c(F)ccc([N+]([O-])=O)c1
+Nc1c(F)cnc(Cl)c1
+Nc1c(I)ccc(F)c1
+Nc1c(N)c(Cl)c(cc1)Br
+Nc1c(N)c(cc([N+]([O-])=O)c1)Br
+Nc1c(N)cc(c(Cl)c1)Cl
+Nc1c(N)nc(Cl)nc1
+Nc1c(O)c(F)ccn1
+Nc1c(O)c(ccc1)-c2ccc(C(=O)O)o2
+Nc1c(O)cccn1
+Nc1c(O)ccnc1
+Nc1c(OC)c(F)ccc1
+Nc1c(OC)cc(OC)cc1
+Nc1c(OC)cc(c(F)c1)C(=O)O
+Nc1c(c(F)ccc1)N
+Nc1c(c(ccc1)C(=O)O)Br
+Nc1c(c2OCC3CC3c2cc1)C(=O)OC
+Nc1c(c2cc[nH]c2cc1)C
+Nc1c(cc(Br)cn1)C=O
+Nc1c(cc(C(=O)O)cc1)F
+Nc1c(cc(C(=O)O)cc1)OC
+Nc1c(cc([N+]([O-])=O)cc1)C(=O)N
+Nc1c(cc([N+]([O-])=O)cc1)C(=O)O
+Nc1c(cc([N+]([O-])=O)cc1)OC
+Nc1c(cc(c(C)c1)Br)OC
+Nc1c(cc(cc1)C(=O)OC)OC
+Nc1c(cc(cc1)F)C(=O)O
+Nc1c(cc(cc1)F)OC
+Nc1c(ccc(F)c1)Br
+Nc1c(ccc(F)c1)C(=O)O
+Nc1c(ccc(F)c1)[N+]([O-])=O
+Nc1c(ccc([N+]([O-])=O)c1)C(=O)O
+Nc1c(ccc([N+]([O-])=O)c1)O
+Nc1c(cccc1Cl)C(=O)O
+Nc1c(cccn1)C(=O)O
+Nc1c(cccn1)C=O
+Nc1c(nc(C)cc1)Br
+Nc1c(nc(cc1)Cl)C#N
+Nc1c(ncc([N+]([O-])=O)c1)N
+Nc1c2c(ccc(O)c2)ccc1
+Nc1c2c(ccc1Cl)nc(cc2)Cl
+Nc1c2c(cccc2)on1
+Nc1c2cccc(F)c2ncc1
+Nc1cc(-c2c(nc3ccc(nn23)Cl)-c4cc(c(cc4)F)C)ccn1
+Nc1cc(-c2nnnn2C)cc(CC)c1
+Nc1cc(Br)cnc1N
+Nc1cc(C(=O)OC)c(Cl)cc1
+Nc1cc(C(=O)OC)c(cc1)Br
+Nc1cc(C)c(cc1)Br
+Nc1cc(C)c(cc1)O
+Nc1cc(C)cc(CO)c1
+Nc1cc(C)ccc1C(=O)OC
+Nc1cc(C)ccc1O
+Nc1cc(C)ccc1[N+]([O-])=O
+Nc1cc(C)no1
+Nc1cc(C)ns1
+Nc1cc(C)on1
+Nc1cc(Cl)nc(C#N)c1[N+](=O)[O-]
+Nc1cc(Cl)nc(Cl)c1C(=O)N
+Nc1cc(Cl)nc(Cl)c1[N+]([O-])=O
+Nc1cc(Cl)ncc1NC
+Nc1cc(F)c(c(Cl)c1)F
+Nc1cc(I)c(cc1Br)Cl
+Nc1cc(O)c(cc1)C(=O)O
+Nc1cc(OC)c(Cl)cc1
+Nc1cc(OC)c(cc1Cl)C(=O)O
+Nc1cc(OC)ccc1Br
+Nc1cc(OC)ccc1C(=O)O
+Nc1cc(OC)ccc1Cl
+Nc1cc([N+]([O-])=O)c(Cl)cc1
+Nc1cc([N+]([O-])=O)c(cc1)Br
+Nc1cc(c(C(=O)OC)cc1)OC
+Nc1cc(c(C)cc1)C#N
+Nc1cc(c(C)cc1)O
+Nc1cc(c(Cl)cc1)F
+Nc1cc(c(F)cc1)C#N
+Nc1cc(c(cc1)Br)C#N
+Nc1cc(c(cc1)Br)C(=O)O
+Nc1cc(c(cc1)CC(=O)O)F
+Nc1cc(c(cc1)O)C(=O)O
+Nc1cc(c(cc1)[N+]([O-])=O)F
+Nc1cc(ccc1F)O
+Nc1cc(ccc1N)C#N
+Nc1cc(ccn1)Oc2ccc(NC)c([N+]([O-])=O)c2
+Nc1cc(ccn1)Oc2ccc3c(cc[nH]3)c2
+Nc1cc2CCCC(C(=O)O)c2cc1
+Nc1cc2c(cc1)CCC2
+Nc1cc2c(cc1)cc[nH]2
+Nc1cc2c(cc1)ncs2
+Nc1cc2c(n[nH]c2)c(Cl)c1
+Nc1cc2c(nc(s2)Cl)cc1
+Nc1cc2c(ncnc2cc1)N
+Nc1cc2cccnc2cc1
+Nc1ccc(Br)c(Cl)c1
+Nc1ccc(C#N)c(Cl)c1
+Nc1ccc(C(=O)O)cc1[N+]([O-])=O
+Nc1ccc(C(=O)OC)c2CCOc12
+Nc1ccc(C(c2ccccc2C(O)=O)=O)cc1[N+]([O-])=O
+Nc1ccc(C)c(C(=O)O)c1C
+Nc1ccc(C)c(Cl)c1
+Nc1ccc(C)c(I)c1
+Nc1ccc(C)c([N+]([O-])=O)c1C
+Nc1ccc(CC)cc1[N+]([O-])=O
+Nc1ccc(F)c(Br)c1
+Nc1ccc(F)c(Cl)c1
+Nc1ccc(I)c(Cl)c1
+Nc1ccc([N+]([O-])=O)cc1C#N
+Nc1ccc(c(-c2ccnn2C)c1)O
+Nc1ccc(c(CC)c1C)Br
+Nc1ccc(c(Cl)c1)C(=O)O
+Nc1ccc(cc1[N+]([O-])=O)F
+Nc1ccc(cc1[N+]([O-])=O)O
+Nc1ccc2CC3(c4cccnc4NC3=O)Cc2c1
+Nc1ccc2c(OC(CO)CC2)c1N
+Nc1ccc2c(c1[N+](=O)[O-])cccc2
+Nc1cccc(Br)c1C
+Nc1cccc(C(=O)C)c1O
+Nc1cccc(C)c1C(=O)O
+Nc1cccc(C)c1Cl
+Nc1cccc(Cl)c1C
+Nc1cccc(Cl)c1C(=O)O
+Nc1cccc(F)c1C
+Nc1cccc(F)c1F
+Nc1cccc([N+]([O-])=O)c1C
+Nc1cccc(c1C(=O)C)OC
+Nc1cccc(c1C(=O)O)F
+Nc1cccc(c1C(=O)O)OC
+Nc1cccc(c1Cl)C(=O)O
+Nc1cccc(c1N)C(=O)N
+Nc1cccc(c1[N+]([O-])=O)OC
+Nc1cccc2NC(=O)C(O)Cc12
+Nc1cccc2c1ccc(Cl)n2
+Nc1cccc2c1ccn2C
+Nc1cccc2ccccc12
+Nc1cccnc1N
+Nc1cccnc1O
+Nc1ccnc(Cl)c1[N+](=O)[O-]
+Nc1ccnc(Cl)n1
+Nc1ccnc(O)n1
+Nc1ccnc(S)n1
+Nc1ccncc1F
+Nc1ccncc1I
+Nc1ccncc1[N+](=O)[O-]
+Nc1ccnn1C
+Nc1ccon1
+Nc1ccsc1C(=O)N
+Nc1ccsc1C(=O)OC
+Nc1cn(C)nc1
+Nc1cnc(c(Cl)n1)Br
+Nc1n(C)ncc1Br
+Nc1n[nH]c(-c2ccco2)c1
+Nc1n[nH]c(C)c1
+Nc1n[nH]c(CC(=O)O)c1
+Nc1n[nH]cc1
+Nc1nc(C(=O)O)c(-c2cc(F)ccc2)s1
+Nc1nc(CC(=O)O)cs1
+Nc1nc(CCl)cs1
+Nc1nc(nc(N)c1[N+](=O)[O-])Cl
+Nc1nc2CCCCc2s1
+Nc1nc2CCNCCc2s1
+Nc1ncc(Br)c(c1)C(=O)OC
+Nc1ncc(Br)cc1[N+](=O)[O-]
+Nc1ncc(C#N)s1
+Nc1ncc(C(=O)O)c(O)n1
+Nc1ncc(C)s1
+Nc1ncc(C=O)s1
+Nc1ncc(cc1[N+](=O)[O-])C(=O)OC
+Nc1nccc(Br)c1
+Nc1nccc(C#N)c1
+Nc1nccc(C(=O)C)c1
+Nc1nccc(C)c1
+Nc1nccc(C)n1
+Nc1nccc(Cl)c1
+Nc1nccc(Cl)n1
+Nc1nccc(F)c1
+Nc1nccc(O)c1
+Nc1ncccc1Cl
+Nc1ncccc1I
+Nc1ncccc1[N+](=O)[O-]
+Nc1nccs1
+Nc1onc(C)c1Cl
+Nc1sc(Br)nn1
+Nc1sc(C)nn1
+Nc1sc(nn1)CC
+Nc1sc(nn1)CCl
+Nc1sc(nn1)CSCCN
+Nc1sc2c(cccc2)n1
+Nc1sc2cc(C(=O)O)ccc2n1
+Nc1sc2cc(OC)ccc2n1
+Nc1sc2cc(S)ccc2n1
+Nc1sc2cc(ccc2n1)F
+Nc1sc2cc(ccc2n1)SC#N
+Nc1sc2cccc(c2n1)O
+O
+O(C(=O)C(C(OC)=O)c1c(cc(cc1)Br)[N+](=O)[O-])C
+O(C(=O)C(C(OCC)=O)c1cc(ccc1[N+]([O-])=O)C)CC
+O(C(=O)C(C(OCC=C)=O)(CCc1ccc(cc1)C(=O)OC)CCC2(CC2)CC(=O)OCC)CC=C
+O(C(=O)C)C=C
+O(C(=O)C)C=O
+O(C(=O)CC(OCC)=N)CC
+O(C(=O)CCCCCCC1C(CCC1OC2CCCCO2)C=O)C
+O(C(=O)CCCCCCCN)C
+O(C(=O)CCCCCCN)C
+O(C(=O)CCc1cn[nH]c1OCC)CC
+O(C(=O)Cl)C(C)=C
+O(C(=O)Cl)C(Cl)C
+O(C(=O)Cl)C=C
+O(C(=O)Cl)CC=C
+O(C(=O)N1CCCC(C)C1CN)CC=C
+O(C(C)=O)CC=CCNCC
+O(C(C)=O)CCc1c[nH]c2nc(SC)nc(O)c12
+O(C(C)=O)c1cc([N+]([O-])=O)ccc1NC(C)=O
+O(C(CCCCC(=O)O)=O)CC
+O(C(CCCCCCBr)=O)CC
+O(C(CCCCCNc1c2ccccc2ncc1[N+]([O-])=O)=O)CC
+O(C(CCc1cc2ccccc2o1)=O)CC
+O(C(NC(CCSC)(Cc1cccc(C#N)c1)C(=O)OC)=O)C
+O(C(c1c(N)c(c(N)c(N)c1)Cl)=O)C
+O(C(c1c([N+](=O)[O-])cc(c(c1)OCC)OCC)=O)CC
+O(C)B(OC)OC
+O(C)C(=O)C(C(OC)=O)c1cc(Cl)cc(OCc2ccccc2)c1
+O(C)C(=O)c1ccccc1N=C=O
+O(C)C(CCCCCCCCCCCCC)=O
+O(C)C(OC)(OC)C
+O(C)C(OC)(OC)CCCC
+O(C)C(OC)=O
+O(C)C(OC)C=O
+O(C)C(OC)CBr
+O(C)C(OC)CCCBr
+O(C)C(OC)CN=C1C(CCc2ccccc2N1)NC(OCc3ccccc3)=O
+O(C)C(OC)CNC
+O(C)C(OC)N(C)C
+O(C)C(OC)OC
+O(C)C(OC)c1nc(S)ncc1
+O(C)C(OC)c1nc2NCCCc2cc1CN3CCN(C)CC3=O
+O(C)C(c1c2ncccc2ccc1)=O
+O(C)C(c1ccccc1S)=O
+O(C)C1(OC)CCOCC1I
+O(C)C1CCNC1
+O(C)C=1C(N(C=C(Br)C=1)C)=O
+O(C)CCNCCOC
+O(C)CCOC(=O)Cl
+O(C)P(OC)(=O)C(=[N+]=[N-])C(=O)C
+O(C)P(OC)(=O)CC(=O)CCCCC
+O(C)[SiH](OC)OC
+O(C)c1c(Br)scc1C#N
+O(C)c1c(F)c(c(F)c(OC)c1)-c2ccc(C(=O)OCC)c3nccnc23
+O(C)c1c(F)cccc1
+O(C)c1c(NC(C)=O)cccc1
+O(C)c1c(O)ccnc1C
+O(C)c1c(OC)c(OC)cc([N+]([O-])=O)c1C=O
+O(C)c1c(OC)ccc(c1OC)C=O
+O(C)c1c(c(O)c2C(OCc2c1C)=O)CC=C(CO)C
+O(C)c1cc(C(=O)O)on1
+O(C)c1cc(cc(OC)c1)C=O
+O(C)c1cc(cc(OC)c1)O
+O(C)c1cc(cc(OC)c1O)C(C)=O
+O(C)c1cc(cc(OC)c1OC)C=O
+O(C)c1cc(cc(OC)c1OC)N
+O(C)c1cc(cc(OC)c1OC)NC(=O)Cc2cc(N)ccc2
+O(C)c1cc(cc(OC)c1OC)Nc2nnc(cn2)C(C)N
+O(C)c1cc2c(c(O)ncn2)c(OC)c1
+O(C)c1cc2c(c(OC)c1)C(C(N2)=O)=O
+O(C)c1cc2c(c(OC)c1)c(ncn2)Nc3cc(Cl)c(cc3)F
+O(C)c1cc2c(cc1OC)c(I)cn2C
+O(C)c1ccnc(CO)n1
+O(C)c1ccnc(Cl)n1
+O(C)c1nc(nc(OC)c1)N
+O(C)c1ncc2C=CCc2c1
+O(C)c1ncc2[nH]c3c(cc(cn3)OC)c2c1
+O(C)c1nccc(Cl)c1
+O(C)c1nccc(N)c1
+O(C1CC2=NOCC2C(O)C1O)COC
+O(C=1C(C(C=1OCC)=O)=O)CC
+O(CC#C)c1c(C)cc(cc1OC)C(OCC#C)=O
+O(CC(=O)Cl)CC
+O(CC(C)F)c1ncccc1[N+](=O)[O-]
+O(CC(COC)OS(=O)(=O)C)C
+O(CC(N)C)C
+O(CC)C(=O)C(C(OCC)=O)CC(c1ccc(cc1)-c2ccc(cc2)[N+](=O)[O-])=O
+O(CC)C(=O)C(CC)Br
+O(CC)C(=O)C(CCC)Br
+O(CC)C(=O)C(CCCCC)c1cccc([N+]([O-])=O)c1
+O(CC)C(=O)C(Cc1ccc(nc1)N)c2c[nH]cn2
+O(CC)C(C(C(C)=O)CCCCCC)=O
+O(CC)C(C(C(C)=O)Cl)=O
+O(CC)C(C(C)C(=O)CC(=O)C)=O
+O(CC)C(C(C)C(C)=O)=O
+O(CC)C(C(C)c1cc(Cl)c(cc1)[N+]([O-])=O)=O
+O(CC)C(C(N)Cc1cc(ccc1)O)=O
+O(CC)C(C(N1C=CC=CC1=O)C)=O
+O(CC)C(C(O)c1cc(ccc1)O)=O
+O(CC)C(C=Cc1ccc(nc1)OC)=O
+O(CC)C(C=Cc1cccc([N+]([O-])=O)c1)=O
+O(CC)C(OCC)(OCC)C
+O(CC)C(OCC)=O
+O(CC)C(OCC)CCN
+O(CC)C(OCC)COc1c(cc(cc1)[N+](=O)[O-])Cl
+O(CC)C(OCC)OC(=O)C
+O(CC)CC(N=C=S)C
+O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCN
+O(CC)P(OCC)(=O)CC#N
+O(CC)P(OCC)(=O)NC1C(CCN(C(OCc2ccccc2)=O)C1)Cl
+O(CC)P(OCC)(C(F)(F)c1c(Br)cc(C)cc1)=O
+O(CC)P(OCC)(C(F)(F)c1c(cc(C)cc1)Cl)=O
+O(CC)P(OCC)(C(F)C(OCC)=O)=O
+O(CC)P(OCC)(CCBr)=O
+O(CC)P(OCC)(CCC=O)=O
+O(CC)P(OCC)(CCOCCBr)=O
+O(CC)P(OCC)(Cc1c(Cl)cc(cc1)Cl)=O
+O(CC)P(OCC)(Cc1ccc(OC)cc1C)=O
+O(CC)P(OCC)(Cc1onc(CC)c1)=O
+O(CC)P(OCC)OCC
+O(CC)P(OCC)c1ccccc1
+O(CC)c1c(ccc(OC)c1)C(OCC)=O
+O(CC1C(COC(=O)C)CC=CC1)C(=O)C
+O(CC1OC1)CC=C
+O(CCBr)C(=O)C
+O(CCBr)CC
+O(CCC(CC(N)C(=O)O)C)CC=C
+O(CCCC)C(c1nc(c2ccccc2c1O)O)=O
+O(CCCC)N=O
+O(CCCCCCCCCCCBr)C1OCCCC1
+O(CCCCN1C(=O)CCCC1CO)CC(OC)=O
+O(CCCl)CC(=O)Cl
+O(CCN)CC
+O(CCN1C=CN=C(NCCc2ncccc2)C1=O)C(C)=O
+O(CCO)CCOCCO
+O(CCn1c(nnn1)Br)C(C)=O
+O(Cc1ncccc1)c2ccnc(O)c2
+O(Cc1ncnc(O)c1C)C
+O(Cn1cnc(CO)c1)CC
+O(N(C)C(=O)Cl)C
+O(N)Cc1sc(cc1)Cl
+O(c1c(C(=O)O)cc(Br)cn1)C
+O(c1c(CC)cc(c(C)n1)-c2cccs2)C
+O(c1c(F)cc(C=O)cn1)C
+O(c1c(I)cc2C(C(=CN(C)c2n1)C(OCC)=O)=O)C
+O(c1c(N)cccn1)C
+O(c1c(O)c(C(=O)O)ncc1)C
+O(c1c(O)ccc(c1)CC2c3cc(OC)c(cc3CCN2)OC)C
+O(c1c(O)nc(Cl)nc1)C
+O(c1c(OC)cc2c(c(ncn2)Cl)c1)C(C)=O
+O(c1c(c(cc(C)n1)C(CC=C)C)C#N)C
+O(c1cc(CC(O)=O)c(cc1OC)[N+]([O-])=O)C
+O(c1cc(NC(C)=O)ccc1[N+]([O-])=O)C(C)=O
+O(c1cc([N+]([O-])=O)cc2c1NC(CC2)=O)C(C)=O
+O(c1cc(cc(OC)c1)CC#N)C
+O(c1cc(cc(OC)c1)CCc2cc(N)[nH]n2)C
+O(c1cc(cc(OC)c1)Nc2nc(c(cn2)C(OCC)=O)Cl)C
+O(c1cc(cc(OC)c1C(=O)C)OC)C
+O(c1cc(cc(OC)c1C)C(=O)O)C
+O(c1cc(cc(OC)c1N)Br)C
+O(c1cc(cc(OC)c1OC)C(=O)N)C
+O(c1cc(cc(OC)c1OC)C)C
+O(c1cc(cc(OC)n1)C(=O)O)C
+O(c1cc(cc(OCCOC)c1)CO)CCOC
+O(c1cc2nc(Cl)nc(N)c2cc1OC)C
+O(c1cccc(OC)c1C(CC(C(OCC)=O)=O)=O)C
+O(c1cccnc1O)C
+O(c1cccs1)C
+O(c1ccn2c(c1)nc(C)c2C(OCC)=O)C
+O(c1ccnc(Br)c1)C
+O(c1ccnc(Cl)c1)C
+O(c1ccnc2c1cc(CO)[nH]2)C
+O(c1ccsc1)C
+O(c1cnc(cc1)N)c2ncnc(Cl)c2
+O(c1nccc(I)c1C=O)C
+O1B(OB(OB1C)C)C
+O1B(OB(OB1C=C)C=C)C=C
+O1C(=O)C(C(OC1(C)C)=O)C(C2CC2)c3cc(O)ccc3
+O1C(C(=O)O)Cc2cc(Cl)ccc12
+O1C(C)(C(C(N)CC2=CCCC2)=O)C1
+O1C(C)C(C(=O)OC)C(C1)=O
+O1C(C)C(S)CC1
+O1C(C)C1
+O1C(C1)COc2c(Cl)nccn2
+O1C(C=O)CCc2cc(ccc12)F
+O1C(CBr)C1
+O1C(CC)C1
+O1C(CC1)=O
+O1C(CCBr)C1
+O1C(CCCCCCCC(=O)OC)CCC1CCC(CCCCC)=O
+O1C(CCl)C1
+O1C(CN)CN(CC1)Cc2ccc(c(c2)Cl)Cl
+O1C(CN2CCc3ccccc3C2)C1
+O1C(CO)C1
+O1C(CO)CC(N)C1
+O1C(CO)CN(C1)c2ccc3C(N4C(=Nc3c2)C(c5cc(ccc45)F)=O)=O
+O1C(COc2c(C(OC)=O)cccc2)C1
+O1C(COc2ccccc2CCOC)C1
+O1C(Cc2c1c(c(C)c(N)c2C)C)(CBr)C
+O1C(Nc2c(cc(Br)cn2)C1)=O
+O1C(c2c(cc(cc2)NC(CCl)=O)C1)=O
+O1C(c2c(cccc2)CC1)CC(=O)O
+O1C2CNCC2OC1
+O1CC(C)(C)COB1B2OCC(C)(C)CO2
+O1CC(COC1(C)C)(NC(=O)CCl)c2cc(ncc2)Br
+O1CC(COC1(C)C)CO
+O1CC(COC1(C)C)c2cc(cnc2)Br
+O1CC(COC12CCC2)CO
+O1CC(N=C1)=O
+O1CC(N=[N+]=[N-])C2OCC(N=[N+]=[N-])C12
+O1CCC(c2c1cccn2)=O
+O1CCC1CO
+O1CCCC1C(=O)O
+O1CCCC1CN
+O1CCCC1CO
+O1CCCC=C1
+O1CCN(C(c2cc(c(cc2)Cl)Cl)=O)CC1CN
+O1CCN(CCCl)C1=O
+O1CCNC1=O
+O1CCNCC1C(=O)O
+O1CCNc2c1cc(Br)cn2
+O1CCOC1(C)CCC#C
+O1CCOC1(c2nc(Br)ccc2)C
+O1CCOC12CC=C(c3cc(F)c(F)cc3)CC2
+O1CCOC12CCC(CC2)(C#C)O
+O1CCOC12CCC(CC2)(C(=O)O)C
+O1CCOC12CCC(CC2)(c3cccc(c3)F)O
+O1CCOC12CCC(CC2)=Cc3ccccc3
+O1CCOC12CCC(CC2)=O
+O1CCOC12CCC(CC2)N(C(C3CCC(CC3)C)=O)c4ccsc4C(OC)=O
+O1CCOC12CCC3(c4c(cc(cc4)N)OCCC3C2)CC
+O1CCOC12CCN(CC2)c3ccc(cc3)C(=O)OCC
+O1CCOC12CCNC(CC2)=O
+O1CCOC12CCNCC2
+O1CCOC1CBr
+O1CCOC1CC(C)C2CC(CCC2)C(C)C
+O1CCOC1CC2CC=C(C2(C)C)C
+O1CCOC1CCCc2ccc(cc2)C#N
+O1CCOC1c2cc(c(cc2)F)Cc3ccccc3
+O1CCOc2ccc(N)cc12
+O1CCOc2ccc(cc12)[N+]#[C-]
+O1COc2c(N)c(Cl)ccc12
+O1c2c(cc(cc2CCC1C(=O)O)F)[N+]([O-])=O
+O1c2c(ccc(C=3CCC(CC=3)C#N)c2OCC1)OC
+O1c2ccc3nc(C)ccc3c2OC(CO)C1
+O1c2cccc(c2OC(CO)C1)Br
+O1c2ccccc2CC(N)C1
+O1c2ccccc2NCC1C(=O)O
+O=C(C(=COC)c1ccccc1Oc2cccc(NC=O)c2)OC
+O=C(C(=NNc1cccc(Br)c1F)C(COC)=O)OC
+O=C(C(=NOC)C(C)=O)OC
+O=C(C(=O)C(C)=O)OCC
+O=C(C(=O)C=Cc1ccc(Br)nc1)OC
+O=C(C(C(Br)C)=O)OCC
+O=C(C(C(c1cccc([N+]([O-])=O)c1)Cl)=O)OC
+O=C(C(C)(Cc1c[nH]c2c1cc(OC)cc2)N)OC
+O=C(C(C)=O)OCC
+O=C(C(C)CN)O
+O=C(C(CC#N)=Cc1ccc(cc1[N+]([O-])=O)Br)OCC
+O=C(C(CC(OCC)=O)N1C(=O)NC(C=C1)=O)OCC
+O=C(C(CC(c1cc(ccc1)Br)=O)=O)OC
+O=C(C(CO)C)O
+O=C(C(CO)C)OC
+O=C(C(CSc1cc(ccc1)OC)=O)OCC
+O=C(C(N)C)OC
+O=C(C(c1cc(ccc1)Br)(C)N)OC
+O=C(C)Cl
+O=C(C)N1c2ccccc2CC1
+O=C(C)OO
+O=C(CC)OC(=O)CC
+O=C(CCl)N=C=O
+O=C(CN)O
+O=C(CN)OC
+O=C(CON)OC
+O=C(Cl)c1c(ccc(F)c1Cl)F
+O=C(Cl)c1ccccc1C(=O)Cl
+O=C(N(C)OC)c1cccc(C#N)c1
+O=C(N)C
+O=C(N)C(N)C
+O=C(N)CI
+O=C(N)CN
+O=C(N)CSC
+O=C(N)NC
+O=C(N)NCC(C)=C
+O=C(N)c1ncc(nc1)Cl
+O=C(NCCO)c1c(sc2CCCCc12)N
+O=C(NCCOC(c1cc(ccc1)C(OCC)=O)c2cccc(c2)Cl)OC
+O=C(Nc1ccc(C#N)c(Cl)c1C)N2CCC(O)C2C(OC)=O
+O=C(O)C
+O=C(O)C#CC
+O=C(O)C(C)=C
+O=C(O)C(N)C
+O=C(O)C(NC(C)=O)C
+O=C(O)C1CC(O)CN1
+O=C(O)C1NCCOC1
+O=C(O)CCCCCCCCCCCCCCC(=O)O
+O=C(O)CCCCCCCCCCCCCCCCCCCCC
+O=C(O)CNc1cc(c(cc1)Cl)Cl
+O=C(O)COC
+O=C(O)CSC
+O=C(O)c1c(Cl)cc(Cl)c(F)c1
+O=C(O)c1c2c(cccc2)nc(c1)C(=O)O
+O=C(O)c1cc(F)c(Cl)cc1F
+O=C(O)c1cc(F)c(cc1F)C=2CCN(C(C)=O)CC=2
+O=C(O)c1cc(cc2ccccc12)[N+]([O-])=O
+O=C(O)c1ccccc1O
+O=C(O)c1cnccc1Oc2cc(Cl)c(cc2Cl)Br
+O=C(O)c1oc2c(cccc2)c1
+O=C(OC)C(Cl)=O
+O=C(OC)C(Cl)C
+O=C(OC)C1CC(O)CN1
+O=C(OC)C1SCCN1
+O=C(OC)CNC
+O=C(OC)c1c(O)ccs1
+O=C(OC)c1c(cccc1CN)C(OC)=O
+O=C(OC)c1nc(Cl)c(Cl)nc1N
+O=C(OC)c1nccc(C)c1
+O=C(OCC)C(=NO)C(C)=O
+O=C(OCC)C(=NO)C(CC)=O
+O=C(OCC)C(=NOC)C(C)=O
+O=C(OCC)C(=O)Nc1cc(ccc1[N+]([O-])=O)F
+O=C(OCC)C(C(=O)OCC)=CNc1ccnc(N2CCN(CC2)C)n1
+O=C(OCC)C(C(=O)OCC)C1CN(C1)C(=O)OCc2ccccc2
+O=C(OCC)C(C(=O)OCC)NC(=O)C
+O=C(OCC)C(C(=O)OCC)c1c(cc(cn1)[N+](=O)[O-])I
+O=C(OCC)C(C(=O)c1c(c(F)cc(c1)I)F)=CNCCO
+O=C(OCC)C(C(NC(C)=O)C)=O
+O=C(OCC)C(C)(C(=O)N(N)C)O
+O=C(OCC)C(C)(C(O)=O)F
+O=C(OCC)C(CBr)=O
+O=C(OCC)C(CC(=O)C)=O
+O=C(OCC)C(CC(c1cccc(c1)F)=O)=O
+O=C(OCC)C(Cl)=O
+O=C(OCC)Cc1c([N+]([O-])=O)cccc1
+O=C(OCC)c1[nH]c2c(cc(F)cc2)c1CC(=O)OCC
+O=C(Oc1cc(cc(OC(=O)C)c1)C(O)=O)C
+O=C(c1c(C(=O)c2ccccc2OC)ccc(OC)c1)O
+O=C(c1c(C(O)=O)c(OC)ccc1)O
+O=C(c1c(F)c(c(F)c(c1)F)F)O
+O=C(c1c(F)c(c(c(c1)F)F)OC)O
+O=C(c1c(c(c(cc1)F)Cl)Cl)O
+O=C(c1c2OCCOc2ccc1)O
+O=C(c1c2ccc(cc2c3c(c(ccc3c1)OC)OC)C)O
+O=C(c1cc(F)c(F)c(c1Nc2ccc(I)cc2C)F)O
+O=C(c1cc(cc(C(=O)OCC)n1)O)OCC
+O=C(c1cc2cc(ccc2cc1O)C(=O)O)O
+O=C(c1ccc(C(=O)OCC)s1)Cl
+O=C(c1ccc([N+]([O-])=O)c(c1O)O)O
+O=C(c1ccccc1-n2nncn2)O
+O=C(c1ccccc1Br)O
+O=C(c1ccccc1Cl)O
+O=C(c1ccccc1I)O
+O=C(c1n(CC=C)c2c(n1)N(CCCC)C(=O)N(CCCC)C2=O)OC
+O=C1C(=C(C(O1)=O)c2cn(C)c3ccccc23)c4cccc(c4)[N+]([O-])=O
+O=C1C(C(=O)C1)(C)c2ccccc2
+O=C1C2CCCCC2C(=O)O1
+O=C1C=CC(=O)N1
+O=C1C=CC(=O)N1C(OC)=O
+O=C1C=CC(C(=O)OC)=C(Cl)N1C
+O=C1C=CNC(N1C)=O
+O=C1CC(=N)NN1
+O=C1CC(CC(=O)C1)c2ccccc2OC
+O=C1CC(c2c(N1)cccc2)C(O)=O
+O=C1CCC(=O)N1Cl
+O=C1CCC(=O)N1I
+O=C1CCC(=O)N1O
+O=C1CCC(=O)N1OC(=O)OCc2ccccc2
+O=C1CCC(=O)N1OC(=[N+](C)C)N(C)C
+O=C1CCC(=O)N1OC(CC#N)=O
+O=C1CCC(=O)N1OC(ON2C(=O)CCC2=O)=O
+O=C1CCCC(=O)C1
+O=C1CCCCC(=O)C1Br
+O=C1CCCCN1
+O=C1CNC(=O)N1
+O=C1COCC(=O)O1
+O=C1N(C(=CC(=O)O1)C)C
+O=C1N(C(=O)N(c2c(Cl)cc(c([N+]([O-])=O)c2)F)C(=O)N1CC(O)=O)C
+O=C1N(C)c2c(N1C)cc(N)c(c2)Br
+O=C1N(C=CC=C1)C(N2C(=O)C=CC=C2)=S
+O=C1N(CC)C(=NC(=C1)Cl)Cl
+O=C1N(c2ccccc2C1=O)CC(=O)OC
+O=C1NC(SC1)=O
+O=C1Nc2c(cccc2)CC1CC(=O)O
+O=C1Nc2c(cccc2F)NCC1
+O=C1OC(=O)c2c1c(F)ccc2
+O=C1OC(C)(C)OC(=O)C1Cc2c[nH]c3c2cc(cc3)[N+](=O)[O-]
+O=C1OC(OC(=O)C1)(C)C
+O=C1OC(c2ccccc2N1)=O
+O=C1Oc2c(ccc(c2)O)N1CC(=O)O
+O=C1c2c(C(=O)N1C(c3cc4c(Cl)cccc4nc3Cl)C)cccc2
+O=C1c2c(C(=O)N1C(c3cc4c(nc3Cl)sc(c4)Br)C)cccc2
+O=C1c2c(C(=O)N1C3CCC(=O)C3)cccc2
+O=C1c2c(cccc2)C(=O)N1CC=C
+O=C1c2c(cccc2)C(=O)O1
+O=C1c2c(cccc2)NC(=S)N1c3ccc(c(c3)Cl)Cl
+O=C1c2ccccc2C(=O)N1C3C(=O)NCC(c4occc4)SC3
+O=C1c2ccccc2C(=O)N1c3cnc(c(Br)c3)C(Cc4cc(F)cc(F)c4)N
+O=C1c2ccccc2C(=O)N1c3nc(c(cc3)C)Br
+O=C=Nc1cc(F)ccc1
+O=C=O
+O=CC(=O)O
+O=CC(C=O)Br
+O=CC1CCOC1
+O=CCCNC
+O=CCCl
+O=CCO
+O=CN
+O=CNN
+O=COC
+O=Cc1[nH]c(cc1C)C
+O=Cc1[nH]ccn1
+O=Cc1c(-c2cc3C(=O)NC(Oc3cc2)=O)n[nH]c1
+O=Cc1c(Br)c(C)ccc1
+O=Cc1c(C(=O)O)cc(C)[nH]1
+O=Cc1c(C(=O)O)cccc1
+O=Cc1c(C(NC)=O)[nH]c2c1cccc2
+O=Cc1c(C(OC)=O)cccc1
+O=Cc1c(C)cc(c(C)c1)OC
+O=Cc1c(Cl)ccc([N+]([O-])=O)c1
+O=Cc1c(Cl)cccc1F
+O=Cc1c(Cl)nc(cc1)Cl
+O=Cc1c(Cl)nc2c(c1)c(Cl)ccc2
+O=Cc1c(F)cc(c(F)c1)C#N
+O=Cc1c(N)cc(OC)c(OC)c1
+O=Cc1c(O)c(OC)c(cc1)[N+]([O-])=O
+O=Cc1c(O)c(ccc1)O
+O=Cc1c(O)c(ccc1)OC
+O=Cc1c(O)nc(cc1)Cl
+O=Cc1c(OC)c(OC)ccc1
+O=Cc1c(OC)cc(cc1)O
+O=Cc1c(OCC)ccc2c1cccc2
+O=Cc1c(c(Br)ccc1)F
+O=Cc1c(c(C(=O)O)c(C)[nH]1)C
+O=Cc1c(c(CCC(=O)O)c(C)[nH]1)C
+O=Cc1c(c(Cl)ccc1)Cl
+O=Cc1c(c(F)ccc1)C
+O=Cc1c(c(F)ccc1)F
+O=Cc1c(c(c(cc1)OC)OC)O
+O=Cc1c(cc(OC)cc1)OCC=C
+O=Cc1c(cc(c(c1)Br)OC)OC
+O=Cc1c(ccc([N+]([O-])=O)c1)Br
+O=Cc1c(ccc2ncccc12)[N+]([O-])=O
+O=Cc1c(cccc1)C#N
+O=Cc1c(cccc1)Cl
+O=Cc1c2c([nH]c1)cccc2
+O=Cc1c2c([nH]c1Cl)cccc2
+O=Cc1c2c(c(cc1)O)cccc2
+O=Cc1c2c(ccc1)C(C=C(C)O2)=O
+O=Cc1c2cc[nH]c2ccc1
+O=Cc1c2ccc(C)cc2[nH]c1
+O=Cc1c2ncccc2ccc1
+O=Cc1cc(Br)c(c(c1)OC)O
+O=Cc1cc(Br)c2OCCc2c1
+O=Cc1cc(Br)cc(OC)c1
+O=Cc1cc(Br)cc2CCCN(C)c12
+O=Cc1cc(C(=O)O)ccc1O
+O=Cc1cc(C(CC(OC)=O)C(=O)OC)cc(Br)c1O
+O=Cc1cc(C)c(s1)C
+O=Cc1cc(C)ccc1O
+O=Cc1cc(C)cs1
+O=Cc1cc(Cl)c(F)cc1OC
+O=Cc1cc(OC)c(O)c(Cl)c1
+O=Cc1cc(OC)ccc1O
+O=Cc1cc([N+]([O-])=O)ccc1F
+O=Cc1cc([N+]([O-])=O)ccc1O
+O=Cc1cc(c(O)c(F)c1)OC
+O=Cc1cc(c(cc1O)O)Br
+O=Cc1cc(cc(c1O)Br)Br
+O=Cc1cc(cc(c1O)OC)Br
+O=Cc1cc(cc(c1OC)OC)Cl
+O=Cc1cc(ccc1Br)F
+O=Cc1cc(ccc1Br)O
+O=Cc1cc(ccc1F)F
+O=Cc1cc2C(=O)N(c3ccc(Cl)nc3N(c2nc1)CC)C
+O=Cc1cc2OCOc2cc1C
+O=Cc1cc2c(nc1-c3c(cccc3)F)c(Cl)ccc2
+O=Cc1cc2c(o1)ccc(C#N)c2
+O=Cc1cc2cc(Cl)c(OC)cc2nc1Cl
+O=Cc1cc2cc(OC)ccc2nc1Cl
+O=Cc1cc2ccc(cc2nc1Cl)F
+O=Cc1cc2cccc(C)c2nc1O
+O=Cc1cc2ncccc2cc1OC
+O=Cc1ccc(Br)nc1
+O=Cc1ccc(C(=O)O)cc1O
+O=Cc1ccc(C(=O)O)s1
+O=Cc1ccc(Cl)s1
+O=Cc1ccc(O)c(Cl)c1Cl
+O=Cc1ccc(OC)cc1C
+O=Cc1ccc(OC)cc1O
+O=Cc1ccc(OC)cc1OC
+O=Cc1ccc(OCC)cc1C
+O=Cc1ccc([N+]([O-])=O)o1
+O=Cc1ccc(cc1C=C)C#N
+O=Cc1ccc(cc1Cl)F
+O=Cc1ccc(cc1F)O
+O=Cc1ccc(cc1F)OC
+O=Cc1ccc(cc1O)O
+O=Cc1ccc(nc1)F
+O=Cc1cccc(Br)n1
+O=Cc1cccc(C)c1O
+O=Cc1cccc(C=O)c1
+O=Cc1cccc(O)c1Cl
+O=Cc1cccc2OCOc12
+O=Cc1cccc2cc[nH]c12
+O=Cc1ccccc1-n2ccnc2
+O=Cc1ccccc1Br
+O=Cc1ccccc1C
+O=Cc1ccccc1F
+O=Cc1ccccc1O
+O=Cc1ccccc1OC
+O=Cc1ccccc1[N+]([O-])=O
+O=Cc1cccn1C
+O=Cc1cccs1
+O=Cc1ccnc2c(Br)cccc12
+O=Cc1cnc2c(ccc(c2)O)c1
+O=Cc1nc(ccc1)F
+O=Cc1nc2c(cc1)cc(cc2)F
+O=Cc1nc2c(cc1)cccc2O
+O=Cc1ncccc1
+O=Cc1nccs1
+O=Cc1oc(cc1)C(=O)O
+O=Cc1oc2c(cccc2c1)OC
+O=Cc1sc(Br)nc1
+O=I(=O)(=O)O
+O=I(=O)Cl
+O=O
+O=S(=O)(C(C)(C(=O)OCC)CCc1cc(on1)C#CC2CC2)C
+O=S(=O)(C(C)C)NC1C(OCc2ccccc2)CCC1
+O=S(=O)(C(C)C)c1ccc(cc1)Cl
+O=S(=O)(C(CCBr)C(=O)OC)O
+O=S(=O)(C)C
+O=S(=O)(C)C(C(=O)OCC)(C)CCBr
+O=S(=O)(C)C1CN(C(C1)C(=O)OC)C(CC(C)=O)=O
+O=S(=O)(C)CC#N
+O=S(=O)(C)CC(O)=O
+O=S(=O)(C)CCN1CCNCC1
+O=S(=O)(C)CCNC
+O=S(=O)(C)CCO
+O=S(=O)(C)Cc1ccc(cc1O)C(O)=O
+O=S(=O)(C)Cl
+O=S(=O)(C)N(C)CCN
+O=S(=O)(C)N(C)c1cc2c(c(c(C=3CCCC=3)o2)C(O)=O)cc1Br
+O=S(=O)(C)N(C)c1ccc(cc1)C(OC)=O
+O=S(=O)(C)N(S(=O)(=O)C)c1cc(Br)ncc1I
+O=S(=O)(C)NCc1c(cc(cc1)C(C(OCC)=O)C)F
+O=S(=O)(C)NCc1cc(Br)cc(F)c1
+O=S(=O)(C)NN
+O=S(=O)(C)NN1C(c2c(NC1=O)cc(C(C)C)c(-c3n(ncc3)C)c2)=O
+O=S(=O)(C)Nc1c(O)ccc(C(CN)O)c1
+O=S(=O)(C)Nc1cc(ccc1)Br
+O=S(=O)(C)Nc1cc(ccc1Nc2nc(ncc2Cl)Cl)OC
+O=S(=O)(C)Nc1cc2S(=O)(=O)NC(CC(=O)O)=Nc2cc1
+O=S(=O)(C)Nc1cc2c(cc1Br)c(c(-c3c(F)cc(cc3)F)o2)C(=O)NC
+O=S(=O)(C)Nc1ccc(cc1)C(O)=O
+O=S(=O)(C)Nc1ccc(cc1F)CN
+O=S(=O)(C)Nc1cccc(Nc2nccs2)c1
+O=S(=O)(C)OC(C)CCOc1cc(CC)c(cc1)CCC(=O)OCC
+O=S(=O)(C)OC(C1CCN(C1)c2c([N+]([O-])=O)cc(cc2)Cl)C
+O=S(=O)(C)OCC(F)(F)CCOCc1ccccc1
+O=S(=O)(C)OCC1Oc2c(ccc(S(=O)(=O)c3cc(ccc3)F)c2)CC1
+O=S(=O)(C)OCCC(C(C)C)c1c(ccc(C)c1)OC
+O=S(=O)(C)OCCCCCCCCC=CCC=CCCCCC
+O=S(=O)(C)OCCCCCCCCCCCCCCC
+O=S(=O)(C)OCCN=[N+]=[N-]
+O=S(=O)(C)OCc1cc(Oc2c(c3cc([nH]c3cc2)C)F)ncn1
+O=S(=O)(C)OS(=O)(=O)C
+O=S(=O)(C)Oc1c(C)cc(O)c([N+]([O-])=O)c1
+O=S(=O)(C)Oc1ccccc1N
+O=S(=O)(C)c1c(C(N=C=O)Cl)ccc(c1)Br
+O=S(=O)(C)c1c(Cl)c2c(nc1)ccc(n2)Cl
+O=S(=O)(C)c1c(cc(C(CC2CC(CC2)=O)C(=O)O)cc1)C
+O=S(=O)(C)c1c(cc(cc1)F)F
+O=S(=O)(C)c1c(ccc(Br)c1)F
+O=S(=O)(C)c1c(ccc(C(C(C)=O)Br)c1)Cl
+O=S(=O)(C)c1cc(c(O)cc1)I
+O=S(=O)(C)c1cc(ccc1)B(O)O
+O=S(=O)(C)c1cc(ccn1)C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CC(O)CO
+O=S(=O)(C)c1ccc(C(=O)O)c(c1F)C
+O=S(=O)(C)c1ccc(C(=O)OC)c(C)c1-c2ccon2
+O=S(=O)(C)c1ccc(c(OC)c1)Br
+O=S(=O)(C)c1ccc(c(c1C(=O)O)Cl)C(=O)OC
+O=S(=O)(C)c1ccc(cc1)F
+O=S(=O)(C)c1ccc(cc1)N
+O=S(=O)(C)c1ccc(cc1-c2nc(nc(Cl)c2)N3CCOCC3C)F
+O=S(=O)(C)c1ccc(cc1C#N)-c2sc(NC(n3cncc3)=O)nc2C
+O=S(=O)(C)c1ccc(cc1Cl)C(C(=O)OC)=NOC2CCCC2
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c(c(CC)c2)[nH]c(C(N)=O)c3
+O=S(=O)(C)c1ccc2c(c1)OC(CC2)C(=O)OCC
+O=S(=O)(C)c1cccc(NC(Oc2ccccc2)=O)c1
+O=S(=O)(C)c1cccc(c1)NN
+O=S(=O)(C)c1ccccc1N
+O=S(=O)(C)c1cnc(CN)cc1
+O=S(=O)(C)c1nc(c(cn1)Cl)C(=O)OC
+O=S(=O)(C)c1nc(ccn1)-c2csc(N)n2
+O=S(=O)(C)c1nc(ccn1)C(=O)OC
+O=S(=O)(C)c1nc2N(C(C(=Cc2cn1)c3c(Cl)ccc(c3)[N+]([O-])=O)=O)OC
+O=S(=O)(C)c1nc2cccnc2n1C
+O=S(=O)(C)c1ncc(cn1)OC
+O=S(=O)(C1(CC1)CC=C)O
+O=S(=O)(C1(CC1)CCC)N
+O=S(=O)(C12c3c(F)ccc(c3OCC1CC(CC2)OCC=C)F)c4ccc(cc4)Cl
+O=S(=O)(C1CC1)N
+O=S(=O)(C1CCC1)Cl
+O=S(=O)(C1CCC1)c2ccc(c(F)c2)Br
+O=S(=O)(C1CCOCC1)c2ccc(cc2)Br
+O=S(=O)(CC)Cl
+O=S(=O)(CC)N(c1cccc(c1)C(=O)OC)Cc2cccnc2
+O=S(=O)(CC)NC1C(CCCC1)C(OCC)=O
+O=S(=O)(CC)c1c(C#N)c(cc(Cl)c1)C
+O=S(=O)(CC)c1ccc(C#N)cc1C
+O=S(=O)(CC)c1ccc(c(Br)c1)F
+O=S(=O)(CCC(=O)OC)Cl
+O=S(=O)(CCC(Cl)=O)CCCl
+O=S(=O)(CCC)Cc1cc(cc(c1)F)[N+](=O)[O-]
+O=S(=O)(CCC)N
+O=S(=O)(CCC1CCCC1)O
+O=S(=O)(CCCCC)N
+O=S(=O)(CCCCCCCCCCCCCCCC)Cl
+O=S(=O)(CCCCl)Cl
+O=S(=O)(CCCOc1c2ccn(c2ccc1)-c3nc(S(=O)C)ncc3)C
+O=S(=O)(CCCc1ccc(cc1)OC)c2ccc(s2)S(=O)(=O)N
+O=S(=O)(CCCl)Cl
+O=S(=O)(CCN)C
+O=S(=O)(CCN)O
+O=S(=O)(CCN1Cc2c(CC1)c(ccc2)Br)C
+O=S(=O)(Cc1cc(cc2cc[nH]c12)F)C
+O=S(=O)(Cc1cc(nc(n1)Cl)Cl)C
+O=S(=O)(Cc1cc2ccccc2cc1)O
+O=S(=O)(Cc1cccc(c1)N)N
+O=S(=O)(Cc1ccccc1)Cl
+O=S(=O)(Cc1ccccc1)N
+O=S(=O)(Cc1ccccc1)NS(=O)(=O)C2CCN(CC2)C=O
+O=S(=O)(Cc1ccccc1C(=O)OC)N
+O=S(=O)(Cl)C(C)C
+O=S(=O)(Cl)CC#N
+O=S(=O)(Cl)CC(C(C)C)C(=O)N1C(=O)OCC1Cc2ccccc2
+O=S(=O)(Cl)CC1=NC(NN1)=O
+O=S(=O)(Cl)CCC
+O=S(=O)(Cl)CCC1C(NC(=O)N1)=O
+O=S(=O)(Cl)CCCC
+O=S(=O)(Cl)CCCCCCl
+O=S(=O)(Cl)CCCCCl
+O=S(=O)(Cl)CCc1ccccc1
+O=S(=O)(Cl)Cc1ccc(Cl)c(Cl)c1
+O=S(=O)(Cl)Cc1ccccc1[N+](=O)[O-]
+O=S(=O)(Cl)Cl
+O=S(=O)(Cl)N
+O=S(=O)(Cl)c1c(F)cc(cc1)Br
+O=S(=O)(Cl)c1c(OC)cccc1
+O=S(=O)(Cl)c1c(c(ccc1Cl)[N+](=O)[O-])Cl
+O=S(=O)(Cl)c1c(cc(F)cc1)C
+O=S(=O)(Cl)c1c(cc(cc1)Br)Cl
+O=S(=O)(Cl)c1c(cc(cc1)[N+](=O)[O-])OC
+O=S(=O)(Cl)c1c(ccc(Cl)c1)OC
+O=S(=O)(Cl)c1c(cccc1)F
+O=S(=O)(Cl)c1cc(C(C)C)c(Br)cc1C(C)C
+O=S(=O)(Cl)c1cc(C(Cl)=O)ccc1
+O=S(=O)(Cl)c1cc(Cl)c(Cl)cc1Cl
+O=S(=O)(Cl)c1cc(Cl)c(cc1F)F
+O=S(=O)(Cl)c1cc(c(cc1)Br)C
+O=S(=O)(Cl)c1cc(c(cc1)F)Cl
+O=S(=O)(Cl)c1cc(c(cc1C)OCC(=O)OCC)C
+O=S(=O)(Cl)c1cc2ccc(cc2cc1)Br
+O=S(=O)(Cl)c1ccc(OC)cc1CC(OCC)=O
+O=S(=O)(Cl)c1ccc(c(F)c1)Br
+O=S(=O)(Cl)c1ccc(cc1)-c2ccccc2
+O=S(=O)(Cl)c1ccc(cc1)Cl
+O=S(=O)(Cl)c1ccc(cc1)I
+O=S(=O)(Cl)c1ccc(cc1)OCC#CC
+O=S(=O)(Cl)c1ccc(cc1Cl)F
+O=S(=O)(Cl)c1ccc2sc3ccccc3c2c1
+O=S(=O)(Cl)c1cccc(C#N)c1
+O=S(=O)(Cl)c1cccc(C)c1
+O=S(=O)(Cl)c1cccc(F)c1
+O=S(=O)(Cl)c1cccc(OC)c1
+O=S(=O)(Cl)c1cccc(S(=O)(=O)Cl)c1
+O=S(=O)(Cl)c1cccc2c1cccc2
+O=S(=O)(Cl)c1cccc2c1nccc2
+O=S(=O)(Cl)c1cccc2cnccc12
+O=S(=O)(Cl)c1cccc2nsnc12
+O=S(=O)(Cl)c1ccccc1Cl
+O=S(=O)(Cl)c1ccccc1[N+](=O)[O-]
+O=S(=O)(Cl)c1cccnc1
+O=S(=O)(Cl)c1cccnc1Cl
+O=S(=O)(Cl)c1cccs1
+O=S(=O)(Cl)c1csc2ncccc12
+O=S(=O)(Cl)c1ncccc1
+O=S(=O)(Cl)c1oc2c(c1)cccc2
+O=S(=O)(Cl)c1sc(Cl)cc1
+O=S(=O)(Cl)c1sc(c(Cl)c1)Cl
+O=S(=O)(Cl)c1sc2cc(ccc2c1)Cl
+O=S(=O)(N(C)C)Cl
+O=S(=O)(N(CC1COC(C)(C)O1)c2cc(nc(Cl)n2)C(=O)OC)C
+O=S(=O)(N(COC)c1cccc(C(CBr)=O)c1F)c2c(F)ccc(F)c2
+O=S(=O)(N(Cc1c(-c2ccccc2)ccc(C(=O)OCC)c1)CC)c3c(cccc3)[N+]([O-])=O
+O=S(=O)(N(Cc1c(Cl)c(sc1)C(OC)=O)C)c2ccc(cc2)Cl
+O=S(=O)(N(c1c2cccnc2c(O)c(C(OC)=O)n1)C)c3ncn(C)c3
+O=S(=O)(N(c1cc(C(OC)=O)cc(Cl)n1)C)C
+O=S(=O)(N(c1cccc2c1[nH]c(-c3sc(cn3)CO)c2)C)c4cccs4
+O=S(=O)(N)C
+O=S(=O)(N)CC(C)(C)COC(=O)C
+O=S(=O)(N)c1c(Cl)c(cc(C(O)=O)c1)S
+O=S(=O)(N)c1c(S(=O)(=O)N)cccc1
+O=S(=O)(N)c1c2c(nn1C)cccc2O
+O=S(=O)(N)c1cc(Br)cnc1
+O=S(=O)(N)c1cc(C)ccc1N
+O=S(=O)(N)c1cc(C)sc1
+O=S(=O)(N)c1cc([N+]([O-])=O)c(cc1)F
+O=S(=O)(N)c1cc(c(N)cc1)Cl
+O=S(=O)(N)c1cc(ccc1)Br
+O=S(=O)(N)c1cc2c(OCCC2CNC(N3CC(=C(CC)C3=O)C)=O)cc1OC
+O=S(=O)(N)c1ccc(c(c1)[N+]([O-])=O)Cl
+O=S(=O)(N)c1cccc2c1ccc(N)c2N
+O=S(=O)(N)c1ccccc1N
+O=S(=O)(N)c1ccccc1SC
+O=S(=O)(N)c1cscc1C
+O=S(=O)(N1C(C(=O)OCc2ccccc2)CC(C1)O)c3ccc4ccccc4c3
+O=S(=O)(N1C(C(N(CC1)C(Cc2cc3ccccc3cc2)C(OC)=O)=O)CC)c4c([N+](=O)[O-])cccc4
+O=S(=O)(N1C(C(NC=C1)=O)CC(O)=O)c2cc(C)c(Cl)cc2C
+O=S(=O)(N1CC(C)Nc2ccc(Br)cc12)c3ccc(cc3)C
+O=S(=O)(N1CCNCC1=O)c2sc3ccccc3n2
+O=S(=O)(N1CCOCC1)c2c(C)ccc(N)c2
+O=S(=O)(N=C=O)Cl
+O=S(=O)(NC(C(C)C)C(=O)O)CC
+O=S(=O)(NC(CC)CNc1ccc(cc1C)C)c2c(cccc2)[N+]([O-])=O
+O=S(=O)(NC)Cc1ccc(cc1)N
+O=S(=O)(NC)c1c(N)cccc1
+O=S(=O)(NC1CC1)c2cccc(B(O)O)c2
+O=S(=O)(NC1CCC1)Cl
+O=S(=O)(NCCCC)Cc1ccccc1
+O=S(=O)(NCCOC)N
+O=S(=O)(Nc1c(Cl)nccn1)c2ccccc2Cl
+O=S(=O)(Nc1cc(O)ccc1)N(C)C
+O=S(=O)(Nc1cc(ccc1O)C(=O)OC)c2c(ccc(Cl)c2)OC
+O=S(=O)(Nc1ccc2c(c(Cl)cnc2)c1)c3ccccc3
+O=S(=O)(Nc1ccc2c(c1C(O)=O)CCCC2)c3c(cccc3)[N+](=O)[O-]
+O=S(=O)(O)C
+O=S(=O)(O)Cl
+O=S(=O)(O)N
+O=S(=O)(O)N1C(=O)C(N)C1COC(N)=O
+O=S(=O)(O)N1C2C(C1=O)NCC2
+O=S(=O)(O)O
+O=S(=O)(O)OC
+O=S(=O)(O)ON=O
+O=S(=O)(O)c1c(ccc([N+](=O)[O-])c1)Cl
+O=S(=O)(O)c1cc(CCOC(C)=O)c(c2ccccc12)Br
+O=S(=O)(O)c1ccc(c2c1cccc2)N
+O=S(=O)(O)c1ccc(cc1)O
+O=S(=O)(O)c1ccccc1C(=C)C
+O=S(=O)(OC)OC
+O=S(=O)(OC1CCC2(C(C1)CC(O)C3C2CC(C4(C)C(CCC34)C(CCC(OC)=O)C)O)C)C
+O=S(=O)(OCC)OCC
+O=S(=O)(OCC1CCCN(S(=O)(=O)C)C1)C
+O=S(=O)(OCC1CO1)c2cccc([N+]([O-])=O)c2
+O=S(=O)(OCCCCOC)C
+O=S(=O)(OCCCCl)c1ccc(cc1)C
+O=S(=O)(OCCCn1c2ccccc2c(c1)C3=C(C(NC3=O)=O)c4cn(c5ccccc45)C)C
+O=S(=O)(OCCOCCOCCO)C
+O=S(=O)(OCCOCCOCCOCCN=[N+]=[N-])C
+O=S(=O)(OCCOCCOc1c(ccc(OCC(=O)OCC)c1CCC)C(C)=O)C
+O=S(=O)(OCCOc1c(cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)cc1OCC)Br)C
+O=S(=O)(OCc1nc(C)ccc1)C
+O=S(=O)(ON)O
+O=S(=O)(Oc1c(NC(=O)c2cccc3[nH]ccc23)cccc1)c4ccc(cc4)C
+O=S(=O)(Oc1ccc(cc1)CCO)C
+O=S(=O)(c1c(-c2ccc(c(c2)F)N)cccc1)C
+O=S(=O)(c1c(Br)cc(F)cc1)Cl
+O=S(=O)(c1c(C(=O)OC)cccc1)N=C=O
+O=S(=O)(c1c(C(=O)OCC)cnn1C)N
+O=S(=O)(c1c(C)c(-c2nc(N)nc(C)c2Cc3c(cc(Br)cc3)OC)c(cc1C)C)O
+O=S(=O)(c1c(C)cccc1)Cl
+O=S(=O)(c1c(Cl)cc(Cl)cc1N)Cl
+O=S(=O)(c1c(Cl)ccc([N+]([O-])=O)c1Cl)N(C)C
+O=S(=O)(c1c(Cl)ccc(c1O)[N+]([O-])=O)N
+O=S(=O)(c1c(F)ccc(C(=O)C)c1)Cl
+O=S(=O)(c1c(N)cccc1)c2ccccc2
+O=S(=O)(c1c(O)c(c(C(OC)=O)cc1)C)C
+O=S(=O)(c1c(c(Cl)c(cc1)C(=O)OC)C=O)C
+O=S(=O)(c1c(c(Cl)ccc1)Cl)Cl
+O=S(=O)(c1c(cc(cc1)Cl)Cl)Cl
+O=S(=O)(c1c(ccc(Br)c1)C(OC)=O)C
+O=S(=O)(c1c(ccc(N)c1)C(OC)=O)N
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1)C)Cl
+O=S(=O)(c1c(cccc1)C#N)Cl
+O=S(=O)(c1c(cccc1)C=O)O
+O=S(=O)(c1c(cccc1)N=C=O)F
+O=S(=O)(c1c(cnc(-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)Cl)n1)F)C
+O=S(=O)(c1c(nc(Cl)cc1)C)N(CC)CC
+O=S(=O)(c1c(nc(Cl)s1)C)Cl
+O=S(=O)(c1c(sc(c1)Cl)Cl)Cl
+O=S(=O)(c1c(scc1)C(=O)OC)Cl
+O=S(=O)(c1c2c([nH]c1C(N)=O)c([N+]([O-])=O)ccc2)N3CCOCC3
+O=S(=O)(c1c2c(c(C)cc1)cccc2)Cl
+O=S(=O)(c1c2c(cccn2)ccc1)N3Cc4c(COCC3CC(O)=O)cccc4
+O=S(=O)(c1c2c(nccc2)cc(c1)-c3c(noc3C)C)Cl
+O=S(=O)(c1c2ccccc2ccc1)CCl
+O=S(=O)(c1cc(Br)ccc1C(O)=O)C
+O=S(=O)(c1cc(C(=O)N)ccc1OC)Cl
+O=S(=O)(c1cc(C(=O)O)c(F)cc1)C
+O=S(=O)(c1cc(C(=O)OCC)ccc1)Cl
+O=S(=O)(c1cc(C(O)=O)c(cc1)Br)Cl
+O=S(=O)(c1cc(C(O)=O)ccc1)C
+O=S(=O)(c1cc(C(OC)=O)ccc1)Cl
+O=S(=O)(c1cc(C)c(s1)CCOC(=O)C)Cl
+O=S(=O)(c1cc(Cl)c(cc1)F)C
+O=S(=O)(c1cc(F)c(c(c1)F)Br)Cl
+O=S(=O)(c1cc(F)c(cc1)F)Cl
+O=S(=O)(c1cc(F)ccc1F)Cl
+O=S(=O)(c1cc(c(Cl)cc1)[N+]([O-])=O)Cl
+O=S(=O)(c1cc(c(F)cc1)[N+]([O-])=O)C
+O=S(=O)(c1cc(c(N)c(c1)N)Br)c2c(SC)sc(c2)C(OC)=O
+O=S(=O)(c1cc(cc(OC)c1)Br)CCC
+O=S(=O)(c1cc(ccc1)Br)c2ccc(nc2)C=Cc3ccc(cc3F)F
+O=S(=O)(c1cc(ccc1)OC)Cc2ccc(Br)c(c2C(OC)=O)OC
+O=S(=O)(c1cc(ccc1)[N+](=O)[O-])Cl
+O=S(=O)(c1cc(ccc1OC)Oc2c(cc(cc2Cl)[N+](=O)[O-])Cl)Cl
+O=S(=O)(c1cc2CCN(c2cc1)C(C)=O)Cl
+O=S(=O)(c1cc2OCCN(c2cc1)C)Cl
+O=S(=O)(c1cc2c(C)c[nH]c2cc1)C
+O=S(=O)(c1cc2c(cc1)NC(=O)C2)CC
+O=S(=O)(c1cc2c(cc1)cc(Cl)cc2)Cl
+O=S(=O)(c1cc2c(cc1)cccc2)Cl
+O=S(=O)(c1cc2c(ccc(COC)c2)s1)N
+O=S(=O)(c1ccc(Br)s1)NC(C(=O)O)Cc2c[nH]c3c2cccc3
+O=S(=O)(c1ccc(Cl)c(c1)C(O)=O)NCC2CC2
+O=S(=O)(c1ccc(F)c(C)c1)C
+O=S(=O)(c1ccc(NC(CCCc2ccc(cc2)Br)=O)cc1C#N)CC
+O=S(=O)(c1ccc(NN)cn1)N
+O=S(=O)(c1ccc(c(O)c1)C(O)=O)Cl
+O=S(=O)(c1ccc(c(c1)OC)OC)Cl
+O=S(=O)(c1ccc(cc1)-c2c(sc(N)n2)Cl)N
+O=S(=O)(c1ccc(cc1)-n2c(-c3ccc(cc3)F)cnc2)C
+O=S(=O)(c1ccc(cc1)Br)Cl
+O=S(=O)(c1ccc(cc1)C(CNC)O)N
+O=S(=O)(c1ccc(cc1)C)N2C(C(NC=C2)=O)CC#C
+O=S(=O)(c1ccc(cc1)C)NC2C(C)(N=[N+]=[N-])CCC2
+O=S(=O)(c1ccc(cc1)C)OCC(COS(=O)(=O)c2ccc(cc2)C)(O)C(F)(F)F
+O=S(=O)(c1ccc(cc1)C)OCC2(CCCCC2)C
+O=S(=O)(c1ccc(cc1)C)OCC2CN(C)c3ccccc3O2
+O=S(=O)(c1ccc(cc1)C)OCC2CO2
+O=S(=O)(c1ccc(cc1)C)OCC2OC(N(Cc3ccc(cc3)F)C2)=O
+O=S(=O)(c1ccc(cc1)C)OCCC#C
+O=S(=O)(c1ccc(cc1)CCCCCCCCCCCC)Cl
+O=S(=O)(c1ccc(cc1)Cl)NC(c2ccccc2)CC
+O=S(=O)(c1ccc(cc1)F)N(CC(=O)O)C
+O=S(=O)(c1ccc(cc1)F)c2ccc(cc2)[N+](=O)[O-]
+O=S(=O)(c1ccc(cc1)F)c2ccccc2C=O
+O=S(=O)(c1ccc(cc1)N)F
+O=S(=O)(c1ccc(cc1)S(=O)(=O)C)Cl
+O=S(=O)(c1ccc(cc1Cl)C#N)Cl
+O=S(=O)(c1ccc(cc1OC)OC)Cl
+O=S(=O)(c1ccc(nc1)Cl)Cl
+O=S(=O)(c1ccc2c(nccc2c1)Cl)Cl
+O=S(=O)(c1ccc2ccn(C)c2c1)Cl
+O=S(=O)(c1ccc2nc(N)sc2c1)C
+O=S(=O)(c1cccc(Br)c1)Cl
+O=S(=O)(c1cccc(C(O)=O)c1)Cl
+O=S(=O)(c1cccc(C=CC(=O)OC)c1)O
+O=S(=O)(c1cccc(Cl)c1)c2ccc3c(CCCC3=O)c2
+O=S(=O)(c1cccc([N+]([O-])=O)c1)O
+O=S(=O)(c1cccc(c1)Cl)Cl
+O=S(=O)(c1ccccc1)C(C2=CC(C(OCc3ccccc3)=C(C(O)=O)N2C)=O)N
+O=S(=O)(c1ccccc1)Cc2ccc(Br)c(c2C(OCC)=O)OC
+O=S(=O)(c1ccccc1)N(S(=O)(=O)c2ccccc2)F
+O=S(=O)(c1ccccc1)N2C(CNCC2)C
+O=S(=O)(c1ccccc1)n2c(-c3occn3)cc4nc(Cl)ccc24
+O=S(=O)(c1ccccc1)n2c3c(c(Br)c2)cccc3
+O=S(=O)(c1ccccc1)n2c3ncc(Cl)cc3c4c2ccc(c4)C=O
+O=S(=O)(c1ccccc1C)N
+O=S(=O)(c1ccccc1C)NN=C(C(Cl)Cl)C
+O=S(=O)(c1ccccc1S(=O)(=O)C(C)C)N
+O=S(=O)(c1ccccc1S(=O)(=O)C)Cl
+O=S(=O)(c1ccccc1[N+]([O-])=O)NCCc2cnccc2
+O=S(=O)(c1cnc(Cl)cc1)c2c(F)cccc2
+O=S(=O)(c1cnc(F)cc1)C
+O=S(=O)(c1cnc(c(c1)Cl)Cl)N
+O=S(=O)(c1cnccc1)n2cc(C=O)c3ccc(C(OC)=O)cc23
+O=S(=O)(c1nc(-n2c(C)nc3ccc(F)cc23)cc(n1)Cl)C
+O=S(=O)(c1nc(CCc2c(cccc2)CC(OC)=O)ccn1)C
+O=S(=O)(c1ncc(c(n1)N)C(c2ccccc2OC)=O)CC
+O=S(=O)(c1ncc[nH]1)C
+O=S(=O)(c1ncn(C)c1)Cl
+O=S(=O)(c1nn(cc1)C)Cl
+O=S(=O)(c1nn2c(n1)c(ccc2Cl)OC)Cl
+O=S(=O)(c1sc2c(cccc2)c1)Cl
+O=S(=O)(n1c2c(cc1)cc(cc2)C=CC(=O)OC)c3sc(Br)cc3
+O=S(CSC)C
+O=S1(=O)C(c2sc(-c3ccc(cc3)-c4cnco4)cc2)(CC(=O)NOC5OCCCC5)CCNCC1
+O=S1(=O)CC(CC1)N
+O=S1(=O)CC(CN1CC)COCc2ccccc2
+O=S1(=O)N(C(C)C)C(C(O)=C1c2ccccc2)=O
+O=S1(=O)N(c2cc(F)ccc2)C3(CCN(C(=O)OCc4ccccc4)C(C3)C)CN1
+O=S1(=O)N=C(C(OC)=N1)OC
+O=S1(=O)NC(=O)CN1c2c(cc3ccc(Br)cc3c2)O
+O=S1(=O)NCC(CN1)c2cc(Br)c(N)cc2
+O=S1(=O)NCCC(c2n(ccc12)C)=O
+O=S1(=O)Nc2cccc(OCC3CNCCC3)c2C(N)=N1
+O=S1(=O)c2c(NC(N1c3ccc(cc3)Cl)=O)cc(OC)cc2
+O=S1(=O)c2c(cc(c(CCC(=O)OCC)c2)OC)C(c3ccccc3)NC(CC)(C1)CCCC
+O=S1(=O)c2c(ccc(c2)C(O)=O)C(=O)c3cc(ccc13)F
+O=S1(=O)c2cc(N)ccc2N(C3CCC3)C=N1
+O=S1(=O)c2cc(ccc2NC(=N1)CC(=O)O)I
+O=S=O
+O=[Mn](=O)(=O)O
+O=[N+]([O-])c1c(cc2CCCc2c1)NC(=O)C
+O=[N+]([O-])c1cc(O)ccc1NC(=O)COc2cc(ccc2)OCC
+O=[N+]=O
+O=[Os](=O)(=O)=O
+O=[Se]=O
+OB(O)C
+OB(O)C1CC1
+OB(O)C=1CCCC=1
+OB(O)C=1CCCCC=1
+OB(O)C=Cc1ccc(cc1)Cl
+OB(O)C=Cc1ccccc1
+OB(O)CCCCBr
+OB(O)Oc1c(OC)cc(cc1C)C
+OB(O)Oc1ccc(OC)cc1Cl
+OB(O)Oc1ccc(c(F)c1)OCC
+OB(O)Oc1ccc(c(c1)OC)OC
+OB(O)Oc1ccc(cc1)OCCOCCCC
+OB(O)Oc1cccc(OC)c1
+OB(O)c1c(C)c(Br)ccc1
+OB(O)c1c(C)cc(OC)cc1
+OB(O)c1c(C)ccc(F)c1
+OB(O)c1c(C)cccc1
+OB(O)c1c(C)onc1C
+OB(O)c1c(C=O)ccc(OC)c1
+OB(O)c1c(C=O)cccc1
+OB(O)c1c(Cl)c(ccc1)Cl
+OB(O)c1c(Cl)ccc(Cl)c1
+OB(O)c1c(Cl)ccc(OC)c1
+OB(O)c1c(F)c(OC)c(Br)cc1
+OB(O)c1c(F)c(c(OCc2ccccc2)cc1)F
+OB(O)c1c(F)cc(Cl)c(OC)c1
+OB(O)c1c(F)cc(Cl)cc1
+OB(O)c1c(F)cc(OC)c(F)c1
+OB(O)c1c(F)ccc(OCC)c1
+OB(O)c1c(F)ccc(OCc2ccccc2)c1F
+OB(O)c1c(F)ccc(c1)C#N
+OB(O)c1c(F)ccc(c1)C=O
+OB(O)c1c(F)nccc1
+OB(O)c1c(N)cccc1
+OB(O)c1c(OC)c(Cl)ccc1
+OB(O)c1c(OC)cc(F)c(F)c1
+OB(O)c1c(OC)cc(cc1)F
+OB(O)c1c(SC)cccc1
+OB(O)c1c(c(C)ccc1)C
+OB(O)c1c(c(ccc1)OC)F
+OB(O)c1c(cc(C(O)=O)cc1)Cl
+OB(O)c1c(cc(Cl)cc1)C
+OB(O)c1c(cc(OCc2ccccc2)cc1)C
+OB(O)c1c(cc(cc1)C#N)C
+OB(O)c1c(cc(cc1)C(CC)=O)C
+OB(O)c1c(cc(cc1)Cl)Cl
+OB(O)c1c(cc(cc1)OC)Cl
+OB(O)c1c(ccc(Cl)c1)OCC
+OB(O)c1c(ccc(F)c1)F
+OB(O)c1c(ccc(c1)Cl)OC(C(=O)O)C
+OB(O)c1c(cccc1)Br
+OB(O)c1c(cccc1)Cl
+OB(O)c1c(cccc1)O
+OB(O)c1c(cccc1)OC
+OB(O)c1c(cccc1)OCC
+OB(O)c1c(ccnc1)C
+OB(O)c1c(cnc(F)c1)Cl
+OB(O)c1c(nc(nc1)OC)OC
+OB(O)c1c(nccc1)OC
+OB(O)c1c2c(sc1)cccc2
+OB(O)c1c2cc[nH]c2ccc1
+OB(O)c1c[nH]nc1
+OB(O)c1cc(Br)ccc1
+OB(O)c1cc(C#N)ccc1
+OB(O)c1cc(C)c(c(C)c1)F
+OB(O)c1cc(Cl)c(C(OC)=O)cc1
+OB(O)c1cc(Cl)cc2c1CC(C)(C)O2
+OB(O)c1cc(F)ccc1OC
+OB(O)c1cc(N(C)C)ccc1
+OB(O)c1cc(O)cc(c1)F
+OB(O)c1cc(OC)c(c(c1)OC)OC
+OB(O)c1cc(OC)c(cc1)Cl
+OB(O)c1cc(OC)cc(c1)OC
+OB(O)c1cc(OC)ccc1
+OB(O)c1cc(OC)ccc1F
+OB(O)c1cc(c(C(NC)=O)cc1)Cl
+OB(O)c1cc(c(C)cc1)N
+OB(O)c1cc(c(Cl)cc1)F
+OB(O)c1cc(c(F)cc1F)F
+OB(O)c1cc(c(OC)cc1)C=O
+OB(O)c1cc(c(cc1)F)C(=O)O
+OB(O)c1cc(c(cc1)OC)OC
+OB(O)c1cc(cc(c1)F)OCC(C)C
+OB(O)c1cc(ccc1)C(=O)O
+OB(O)c1cc(ccc1)CO
+OB(O)c1cc(ccc1)F
+OB(O)c1cc(ccc1C)C(O)=O
+OB(O)c1cc(ccc1CO)F
+OB(O)c1cc(ccc1Cl)C#N
+OB(O)c1cc(ccc1F)Cl
+OB(O)c1cc(ccc1OC)C=O
+OB(O)c1cc(cnc1)S(=O)(=O)C
+OB(O)c1cc(nn1C)-c2ccco2
+OB(O)c1cc2C(C)(C)OC(=O)Nc2cc1
+OB(O)c1cc2CCOc2cc1
+OB(O)c1cc2OCOc2cc1
+OB(O)c1cc2c(c3c1cccc3)cccc2
+OB(O)c1cc2c(cc1)cc(OCC)cc2
+OB(O)c1cc2c(occ2)cc1
+OB(O)c1cc2cc[nH]c2cc1
+OB(O)c1cc2ccc(OC)cc2cc1
+OB(O)c1ccc(C#N)n1C
+OB(O)c1ccc(C(=O)OC)c(F)c1
+OB(O)c1ccc(C(C)=O)s1
+OB(O)c1ccc(C(O)=O)s1
+OB(O)c1ccc(C)cc1C
+OB(O)c1ccc(Cl)c(C(=O)O)c1
+OB(O)c1ccc(Cl)c(Cl)c1
+OB(O)c1ccc(Cl)s1
+OB(O)c1ccc(F)c(c1)C
+OB(O)c1ccc(F)c(c1)F
+OB(O)c1ccc(F)cc1F
+OB(O)c1ccc(OC)c(c1)F
+OB(O)c1ccc(c(C#N)c1)F
+OB(O)c1ccc(c(C)c1)C
+OB(O)c1ccc(c(Cl)c1)OC
+OB(O)c1ccc(c(F)c1)C#N
+OB(O)c1ccc(c(F)c1)O
+OB(O)c1ccc(cc1)-c2ccc(cc2)CCCC
+OB(O)c1ccc(cc1)NC(=O)C
+OB(O)c1ccc(cc1)NS(=O)(=O)C
+OB(O)c1ccc(cc1)O
+OB(O)c1ccc(cc1)OC
+OB(O)c1ccc(cc1)OC(C)C
+OB(O)c1ccc(cc1)Oc2ccccc2
+OB(O)c1ccc(cc1)S(=O)(=O)C
+OB(O)c1ccc(cc1)S(=O)(=O)C(C)C
+OB(O)c1ccc(cc1)S(=O)(=O)N
+OB(O)c1ccc(cc1)S(=O)(=O)NC
+OB(O)c1ccc(cc1C)F
+OB(O)c1ccc(cc1C)OCOC
+OB(O)c1ccc(nc1)C
+OB(O)c1ccc2c(c1)OCCO2
+OB(O)c1ccc2c(cnn2C)c1
+OB(O)c1ccc2c(nccc2)c1
+OB(O)c1ccc2ccccc2c1
+OB(O)c1cccc(C(=O)C)c1
+OB(O)c1cccc(C(=O)OCC)c1
+OB(O)c1cccc(C)c1
+OB(O)c1cccc(C=O)c1
+OB(O)c1cccc(C=O)c1F
+OB(O)c1cccc(CCO)c1
+OB(O)c1cccc(Cl)c1
+OB(O)c1cccc(NC(=O)C)c1
+OB(O)c1cccc(S(=O)(=O)N(C)C)c1
+OB(O)c1cccc([N+](=O)[O-])c1
+OB(O)c1cccc(c1)N
+OB(O)c1cccc(c1)NS(=O)(=O)C
+OB(O)c1cccc(c1)O
+OB(O)c1cccc(c1)OCC
+OB(O)c1cccc2ccccc12
+OB(O)c1ccccc1C#N
+OB(O)c1ccccc1CO
+OB(O)c1ccccc1F
+OB(O)c1ccn[nH]1
+OB(O)c1ccnc(Cl)c1
+OB(O)c1ccnc(c1)C
+OB(O)c1ccnc(c1)F
+OB(O)c1ccncc1Cl
+OB(O)c1ccncc1F
+OB(O)c1ccoc1
+OB(O)c1ccsc1
+OB(O)c1cnc(F)cc1
+OB(O)c1cnc(N)cc1
+OB(O)c1cnc(OC)cc1
+OB(O)c1cnc(cc1)C=O
+OB(O)c1cnc(cc1)OCCCCCCCC
+OB(O)c1cncc(F)c1
+OB(O)c1cncc(OC)c1
+OB(O)c1cncc(c1)C
+OB(O)c1cnccc1
+OB(O)c1cncnc1
+OB(O)c1n(ncc1)C
+OB(O)c1oc(cc1)C
+OB(O)c1oc2ccccc2c1
+OB(O)c1occc1
+OB(O)c1sc(cc1)C=O
+OB(O)c1sc2c(cccc2)c1
+OB(O)c1sccc1
+OC(=O)C(O)=O
+OC(=O)C(O)C(C(O)=O)O
+OC(=O)C(O)c1ccccc1Cl
+OC(=O)C1CCCCC1C(=O)OC
+OC(=O)C=Cc1c(F)cc(Br)c(F)c1
+OC(=O)c1c(N)cc2ccccc2c1
+OC(=O)c1c([N+]([O-])=O)cc([N+](=O)[O-])c(Cl)c1
+OC(C(=O)N)C
+OC(C(=O)O)C
+OC(C(=O)OC)CN
+OC(C(C(=O)OC)N)C
+OC(C(N)C(=O)O)C
+OC(C)=S
+OC(C)C#C
+OC(C)CN
+OC(C1C(N2C1C(C)C(SC=Cc3scnc3CO)=C2C(=O)O)=O)C
+OC(C=C)C
+OC(C=C)CC
+OC(CBr)C
+OC(CC#C)C
+OC(CC)Br
+OC(CC)C
+OC(CC)CN
+OC(CC=C)C
+OC(CCC)C#C
+OC(CCCC)CC#C
+OC(CCCN)C(=O)O
+OC(CCSC)C(=O)O
+OC(CCl)c1cccn1C
+OC(CN)c1ccco1
+OC(CNC)c1ccco1
+OC(CO)CC(OCC)=O
+OC(CO)CCl
+OC(CO)CN
+OC(CO)CS
+OC(CO)Cc1[nH]ccn1
+OC(COC)C
+OC(CON)C
+OC(Cn1c2c(nc1)N(C(=O)N(C2=O)C)C)=O
+OC(O)(C)OCC
+OC(O)=O
+OC(O)OC
+OC(O)OCC
+OC(c1cccnc1)CN
+OC(c1ccsc1)CCCO
+OC(c1sc(C(=O)OCC)c2-c3ccccc3Oc4ccccc4-c12)=O
+OC12C(C)(C(CC#N)CC1)CCC3C2CCC4CC(OC(C)=O)CCC34C
+OC12CCC(C1(C)CCC3C2CCC4C3(CCC(O)C4)C)c5ccoc5
+OC12CCC(C1(C)CCC3C2CCC4CC(SCCO)CCC34C)c5ccoc5
+OC1=C(CN(C)C1=O)C(N(Cc2cc(c(cc2)Cl)Cl)C)=O
+OC1COc2c1ccc(c2)O
+OC1c2c(CCC1)cc(cc2)CO
+OC=1C=C(OC(C=1)=O)C
+OC=O
+OCC(CO)(C)N
+OCC(CO)([N+](=O)[O-])c1cc(Br)ccc1
+OCC(CO)CCC
+OCC(CO)CO
+OCC(CO)N
+OCC(c1ccc(OC)cc1OC)CCCCC
+OCC1(CC1)CO
+OCC1(OCC(OC1)(CO)O)O
+OCC1CC(O)CN1
+OCC1CC=CCC1CO
+OCC1CN2C3=C(C=CC(N13)=O)N=CC2=O
+OCC1NC(c2c(cccc2)C1)=O
+OCC1OC(C(O)C1O)N2C(=O)N=C(C=C2)N
+OCC1OC(C(O)C1O)n2c3c(c(nc(N)n3)O)nc2
+OCC1OC(C(O)C1O)n2c3nc(I)nc(N)c3nc2
+OCCC1Cc2c(CN1)cccc2
+OCCC=CCCCC
+OCCCCBr
+OCCCCC
+OCCCCCCO
+OCCCCCl
+OCCCCN
+OCCO
+OCCOCCO
+OCCc1c([N+](=O)[O-])cc(N)c2ccccc12
+OCCc1cccc(F)c1
+OCc1cc(I)ccc1
+OCc1cccc(F)c1
+OCc1cccc(n1)N
+OCc1cnccn1
+OCc1cocn1
+OCc1ncccc1
+OCl
+OCl=O
+ON
+ON=C(C(C)=O)C
+ON=C(C(OCC)=O)C#N
+ON=C(C(OCC)=O)Cl
+ON=C(Cl)C(CCl)=O
+ON=CC
+ON=O
+ONC
+OO
+OP(O)(CCCN)=O
+OP(O)(O)=O
+OP(O)CC
+OS(O)(=S)=O
+Oc1c(Br)c(c(Br)cc1C(CBr)=O)O
+Oc1c(Br)cc(Br)nc1C(=O)OC
+Oc1c(C#N)cnn2c1cc(c2)Br
+Oc1c(CC(O)=O)cccc1
+Oc1c(NC(NCCN)=O)cccc1
+Oc1c(O)ccc(CC(=O)OCC)c1
+Oc1c(ccc(C(=O)OCC)c1)O
+Oc1c(ccc(c1)C(CCCC(=O)O)=O)O
+Oc1c(ccc(c1)C(c2c3ccccc3n(CCCC(OCC)=O)c2)=O)O
+Oc1c(cccc1)OC
+Oc1c(cccc1C)C(=O)O
+Oc1c2c(ccc1)n(c3c2c(C(OC)=O)ccc3)Cc4c5ccccc5ccc4
+Oc1cc(Cl)ncn1
+Oc1cc(c(cc1C(=O)C)Cl)Cl
+Oc1cc(cc(O)c1)C
+Oc1cc(ccc1O)C=O
+Oc1ccc(F)cc1C2(C(=O)N(c3ccccc23)CCCCC)O
+Oc1cccc(O)c1C
+Oc1ccccc1Br
+Oc1ccccc1C(CBr)=O
+Oc1ccccc1C(Cl)=O
+Oc1ccccc1NC(C)=O
+Oc1nc(c2cc(C(c3ccc4ncccc4c3)=O)ccc2n1)-c5cc(ccc5)Cl
+Oc1ncc(C)cc1[N+](=O)[O-]
+Oc1ncc(cc1)C(=O)OC
+S
+S(C)C(SC)=C(C#N)C#N
+S(C)c1c(cc(cc1)C(=O)OC)O
+S(C)c1cc(ccc1C(=O)O)F
+S(OO)(O)=O
+S(P(OCC)(O)=S)CC
+S(c1c(cc(cc1)C)C(OC)=O)c2csc3ccccc23
+S(c1c(cccc1)Cl)C
+S(c1cc(Oc2c(nccc2)CC)c(C#N)nc1)c3ccccn3
+S(c1cc(c(N)nc1)Oc2c(C)n(C)nc2C)c3ccccn3
+S(c1ccc(Cl)c(c1)C(=O)O)C
+S(c1ccc(c(F)c1)C#N)C
+S(c1ccc2OCCC(c2c1)(CCO)C)C
+S(c1ccc2c(c(ncn2)Cl)c1)C
+S1C(=NC(C1)=O)SC
+S1C(CCCO)Oc2c(C)c(C)c(c(c12)C)O
+S1CC(NC1)=O
+S1CNc2ccccc12
+S1P2(SP3(SP1(SP(S2)(S3)=S)=S)=S)=S
+S=C(NNC(=O)c1ccc2ccccc2c1)NC
+S=C(c1c(cccc1)Cl)N
+S=C1NN=NN1C
+S=C1NNC(N)=N1
+S=C=S
+SC
+SC#N
+SC(=O)C
+SC(OCC)=S
+SCC(=O)N
+SCC(=O)O
+SCC(=O)OC
+SCCS
+Sc1c(cccc1C)C(=O)O
+Sc1cccc(F)c1
+Sc1ccccc1OC
+[C-]#N.[Cu+]
+[C-]#[N+]CC(=O)OC
+[Cu]Br
+[Cu]Cl
+[K]ON
+[Li]C
+[Mg+]C
+[Mg](Br)C#CC
+[Mg](C)Br
+[Mg](CCCCCC)Br
+[N+](=N)=[N-]
+[N+](=NC1CC(C(=O)OC)NC1)=[N-]
+[N+](=O)([O-])O
+[N+](=O)([O-])c1ccc(c2ccccc12)F
+[N+](C)(=O)[O-]
+[N+](C1CCC(=O)CC1c2cc(OC)c(cc2)OC)(=O)[O-]
+[N+]([O-])(=O)c1c(cc(c(F)c1)NC(C)=O)F
+[N+]([O-])(=O)c1cc(c(cc1F)Br)F
+[N+]([O-])(=O)c1cc(c(cc1F)C(C)C(O)=O)F
+[N+]([O-])(=O)c1cc2c(ncnc2cc1F)Nc3cc(Cl)c(cc3)F
+[N+]([O-])(=O)c1ccccc1C=C(C(=O)OCC)C
+[N+]([O-])(c1cccc(c1C)C(=O)O)=O
+[N+]([O-])(c1cccc(c1C)O)=O
+[N+](c1c(Br)cc(Br)nc1)([O-])=O
+[N+](c1c(Br)cccc1)([O-])=O
+[N+](c1c(F)cc(c(F)c1)F)(=O)[O-]
+[N+](c1cc(Br)c(c(C)c1)C)([O-])=O
+[N+](c1cc(Br)c2n[nH]cc2c1)([O-])=O
+[N+](c1cc(C#N)c(C#N)cc1)([O-])=O
+[N+](c1cc(cc(Br)c1)O)([O-])=O
+[N+](c1cc2c(-c3c(c4c(cccc4)c(n3)O)C2)cc1)([O-])=O
+[N+](c1cc2cc(cc3C(OC(=O)c(c1)c23)=O)C(O)=O)([O-])=O
+[N+](c1ccc2c(CCN(CC2)C)c1)([O-])=O
+[N+](c1cccc2cc[nH]c12)([O-])=O
+[N-]=[N+]=NC(C)Cc1cc2CCN(C(=O)C)c2c(C#N)c1
+[N-]=[N+]=NC(C)c1cccc([N+]([O-])=O)c1
+[N-]=[N+]=NC(C)c1ncc(cc1)F
+[N-]=[N+]=NC(OCCO)COc1cccc(c1)C(=O)OCC
+[N-]=[N+]=NC1CC(CCC1O)C(OCC)=O
+[N-]=[N+]=NC1CC(OC1CO)N2C=C(C(NC2=O)=O)C
+[N-]=[N+]=NC1CCC2(C(C1)=CCC3C4C(CCC23)(C)C(C#C)CC4)C
+[N-]=[N+]=NC1c2ccc(C#N)cc2OCC1
+[N-]=[N+]=NCC1CCC(C(OC)=O)C1
+[N-]=[N+]=NCCCNC(CCC(N)C(OC)=O)=O
+[N-]=[N+]=Nc1c(C)ccc(C(=O)O)c1
+[N-]=[N+]=Nc1c([N+]([O-])=O)c(F)ccc1
+[N-]=[N+]=Nc1cc(c(C)cc1)C(=O)c2ccc(cc2Cl)Nc3c(cc(cc3)F)F
+[N-]=[N+]=Nc1cc(nc(Cl)c1Cl)-c2cnco2
+[N-]=[N+]=Nc1ncc(C(=O)OC)c(Nc2c(Cl)cc(cc2)Br)c1Cl
+[N-]=[N+]=[N-]
+[O-][N+](=O)C([N+]([O-])=O)(C)CO
+[O-][N+](=O)C=C(S(=O)C)SC
+[O-][N+](=O)[N+]([O-])=O
+[O-][N+](=O)c1c(cccc1)F
+[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1)C(=O)Cl
+[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1)CBr
+[O-][N+](=O)c1cc2CC(=O)c3cc(ccc3Sc2cc1)C(C)C(=O)N
+[O-][N+](=O)c1cc2OCOc2cc1C=O
+[O-][N+](=O)c1ccccc1C(Cl)=O
+[O-][N+](=O)c1ccccc1Cl
+[O-][N+](c1cc(C(=O)Cl)cc(C(=O)OC)c1)=O
+[O-][N+](c1cc(F)c(cc1)F)=O
+[O-][N+](c1cc([N+]([O-])=O)c(CC)cc1)=O
+[O-][N+](c1cc([N+]([O-])=O)c(N)cc1)=O
+[O-][N+](c1cc([N+]([O-])=O)c(cc1)Cl)=O
+[O-][N+](c1cc(cc([N+]([O-])=O)c1)C(=O)C)=O
+[O-][N+](c1cc2C=Cc3ccc(cc3Sc2cc1)C#N)=O
+[O-][N+](c1cc2c(cc1)Sc3c(NC2=O)cccc3)=O
+[O-][N+](c1cn(nc1)CCn2nccc2)=O
+[O-][O+]=O
+[S-2]
+[Se]1C(=CC(C(=O)O)=C1C)C=O
+[Se]1C=CC=C1Br
+[n+]1([O-])ccc(cc1C)[N+](=O)[O-]
+[n+]1(cc(Cl)ccc1)[O-]
+[nH]1c(C(=O)NC2CCNCC2N=[N+]=[N-])c(Cl)c(c1C)Cl
+[nH]1c(C)nc2ccc(C(=O)O)cc12
+[nH]1c(CCCO)nc2c1cccc2
+[nH]1c(ccc1C)C#N
+[nH]1c(ccc1C)C(=O)OCC
+[nH]1c(nc2c1C(NC(=O)N2C)=O)Br
+[nH]1c2C(CCCc2c3cc(C(=O)O)ccc13)=O
+[nH]1c2N(C)C(=O)N(C)C(c2nc1Br)=O
+[nH]1c2c(C)cccc2c3C(CCCc13)=O
+[nH]1c2c(S)ncnc2nc1
+[nH]1c2c(c(C(O)c3c(c([N+]([O-])=O)ccc3)F)c1)cncn2
+[nH]1c2c(c(ncn2)Cl)cc1
+[nH]1c2c(nc1)c(Br)ncn2
+[nH]1c2cc(OC)c(cc2nc1)OC
+[nH]1c2cccc3C4=CC(C(=O)O)CN(C)C4Cc(c23)c1
+[nH]1c2cccc3c2c(CC4C3CC(CN4C)CO)c1
+[nH]1c2cccc3c2c(CC4N(CC(C(OC)=O)CC34)C#N)c1
+[nH]1c2cccc3c2c(CCNC3)c1
+[nH]1c2nc(nc(Cl)c2cc1)Cl
+[nH]1c2ncc(cc2c(C(c3c(c(NC(OC)=O)ccc3F)F)O)c1)Br
+[nH]1c2nccc(Br)c2cc1
+[nH]1c2nccc(Cl)c2cc1
+[nH]1cc(c2c(Cl)nc(Cl)nc12)F
+[nH]1ccc2cc(cnc12)-c3cnccc3
+[nH]1ccc2cccnc12
+[nH]1ccnn1
+[nH]1cnc2C(N=C(N(CCCCC)c12)NN)=O
+[nH]1cnc2c1c(ncn2)Cl
+[nH]1nc(C(=O)O)c([N+](=O)[O-])c1
+[nH]1nc(c([N+](=O)[O-])c1)C(=O)N
+[nH]1nc(cc1)C
+[nH]1nc(cc1)C(=O)O
+[nH]1nc(cc1)[N+](=O)[O-]
+[nH]1nc2c(c1F)cc(cc2)Br
+[nH]1nnc2cc(ccc12)C(=O)OC
+c-12n(COc3c-1nc(cc3)Cl)c4cccc(c4c2)F
+c1(-c2[nH]ccn2)cc([N+]([O-])=O)c(C)cc1
+c1(-c2[nH]ccn2)cc(ccc1)C#N
+c1(-c2[nH]ccn2)cccc(F)n1
+c1(-c2cccc(C)n2)cccc(C)n1
+c1(-c2ccccc2OC)nc3c(c(O)n1)cccc3
+c1(-c2ccnc(Br)c2)ocnc1
+c1(-c2cnccc2)ncc(c(Cl)n1)C(=O)OCC
+c1(-c2nc3sc(cc3c(n2)N)CCO)cc(ccc1)C#N
+c1(-c2nnn[nH]2)cc(C(=O)O)ccc1
+c1(-c2nnnn2C)cc(ccc1)NC(NCC3CCCNC3)=O
+c1(-c2noc(n2)C)cc(ccc1)OC(C(=O)O)CCC
+c1(Br)c(C#N)c(F)ccc1
+c1(Br)c(C)c(C(OCC)=O)no1
+c1(Br)c(CBr)cccc1
+c1(Br)c(c(N)ccc1)C#N
+c1(Br)c2c(ccc1)nc(cc2)Cl
+c1(Br)cc(F)c(cc1F)N
+c1(Br)cc(cc(Br)c1N)[N+](=O)[O-]
+c1(Br)cc(cc(Br)c1O)C#N
+c1(Br)cccc(F)c1C(=O)O
+c1(Br)cccc(OCOC)c1O
+c1(Br)cccc(c1C)C(=O)O
+c1(C#N)c(C)c(OCC)no1
+c1(C#N)c(nc2c(c1Cl)cccc2)Cl
+c1(C(=O)O)c(C)onc1
+c1(C(=O)O)c(Cl)cccc1C
+c1(C(=O)O)c(Cl)cccc1F
+c1(C(=O)O)c(I)cccc1C
+c1(C(=O)O)c2c(ccc1Cl)nc(cc2)Cl
+c1(C(=O)O)c2cccnc2[nH]c1
+c1(C(=O)O)cc(C)cc(O)c1C
+c1(C(=O)O)ccc(Br)c2c1cccc2
+c1(C(=O)O)cnc(c(Cl)c1)Cl
+c1(C(=O)O)cncc(-c2sc(N)nc2)c1
+c1(C(=O)O)cncc(N)c1
+c1(C(=O)O)cncs1
+c1(C(=O)O)nc(C)sc1-c2cc(C)ccc2
+c1(C(=O)OC)c(Cl)nc(C(OC)=O)cc1
+c1(C(=O)OC)c(N)c(nc(Br)c1)Br
+c1(C(=O)OC)c(Nc2ccccc2F)cncc1Br
+c1(C(=O)OC)cc(Cl)c(cc1OCCCBr)OC
+c1(C(=O)OC)oc2c(cc(N)cc2)c1
+c1(C(=O)OC)sc(Br)nc1
+c1(C(=O)OCC)[nH]c(C)c(Cl)c1Cl
+c1(C(=O)OCC)c2CCCCc2sc1N
+c1(C(=O)OCC)cccc(Br)n1
+c1(C(=O)OCC)nn(c(Sc2ccc(C)cn2)c1)-c3c(Cl)cccc3
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+c1(C(C)N)cc2CCOc2cc1
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+c1(C(Cl)=O)ccc(F)c(Cl)c1
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+c1(C)c(N)cc(c([N+]([O-])=O)c1)OC
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+c1(C)c(cc(C(=O)O)cc1)Br
+c1(C)c(cc(C(Cl)=O)cc1)Br
+c1(C)c(cc(C)c([N+]([O-])=O)c1)Cl
+c1(C)c(cc([N+]([O-])=O)cc1)Br
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+c1(C)c(ccc(c1)C(=O)C)O
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+c1(C)cc(C(=O)O)cnc1N2CC(C)NCC2
+c1(C)cc(C(=O)O)sc1C=O
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+c1(C)cc(cc(C)c1OC)-c2nc3c(o2)nc(Cc4ccc(cc4)Cl)nc3OCCC
+c1(C)cc(cc(C)n1)CCc2ccccc2
+c1(C)cc(cc(c1O)Br)Br
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+c1(CN)nnc(C)s1
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+c1(Cl)cc(Br)cnc1Cl
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+c1(Cl)ccc(OC)cc1NC(C)=O
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+c1(Cl)cccc(Cl)c1COc2cccnc2[N+](=O)[O-]
+c1(Cl)cccc(Cl)c1S(=O)(=O)Cl
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+c1(Cl)nc(C)ns1
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+c1(Cl)nc(cs1)C(OCC)=O
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+c1(Cl)nc(nc(Cl)c1)CC
+c1(Cl)nc(nc(Cl)c1)OC
+c1(Cl)nc(nc(Cl)c1C#N)Cl
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+c1(Cl)ncnc(Cl)c1Oc2cc(OC)ccc2Cl
+c1(Cl)sc(N)nc1
+c1(Cl)sc2C(NCCCc2n1)=O
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+c1(F)c(Br)cc(C(=O)OC)c(OC)c1
+c1(F)c(Br)cc2c([nH]cc2C=O)c1
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+c1(F)c(N)c(c(cc1)O)F
+c1(F)c(c(ccc1)OC)Br
+c1(F)c(cc(I)c(N)c1F)C
+c1(F)c(cc(c(N)c1)[N+]([O-])=O)Br
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+c1(F)cc(OC)ccc1F
+c1(F)cc(cc(F)c1)CN
+c1(F)cc(cc(F)c1)N
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+c1(F)cc(cc(F)c1)O
+c1(F)cc(cc(F)c1-c2c(O)nnc(-c3ccccc3F)c2-c4cc(OC)cc(OC)c4)F
+c1(F)cc(cc(F)c1C)Br
+c1(F)cc(cc(F)c1[N+](=O)[O-])F
+c1(F)cc(cc(F)n1)F
+c1(F)cccc(CC(OC)=O)c1
+c1(F)cccc(CCN)c1
+c1(F)cccc(F)c1CO
+c1(F)cccc(F)c1N2C(=O)C=Cc3c(-c4c(ccc(C(O)=O)c4)C)nc(nc23)SC
+c1(F)cccc(F)c1O
+c1(F)cccc(F)c1[N+](=O)[O-]
+c1(F)cccc(I)c1
+c1(F)ccccc1CBr
+c1(F)ccccc1O
+c1(F)nc(NCc2c(Cl)cccc2)ccc1Br
+c1(I)c(N)ncc(Br)c1C
+c1(I)c(cc([N+]([O-])=O)cc1)C(=O)N
+c1(I)c2cc(Br)ncc2n(C3CCCCO3)n1
+c1(I)cc(C)ccc1F
+c1(I)ccc(C)cc1C(=O)O
+c1(N)[nH]cnc1C#N
+c1(N)c(C#N)c(C)c(C(=O)OC)s1
+c1(N)c(C#N)cc([N+]([O-])=O)cc1Br
+c1(N)c(C(=O)N)nc(s1)Nc2ccnc(F)c2
+c1(N)c(S)ccc(F)c1
+c1(N)c(c(c(c(C)c1)O)C)C
+c1(N)c(c(ccc1C(=O)OC)Br)O
+c1(N)c(ccs1)C(=O)N
+c1(N)c(ccs1)C(=O)OC
+c1(N)cc(Br)c(C)nc1
+c1(N)cc(cc(N)n1)Br
+c1(N)cc(cc(N)n1)SC
+c1(N)cc(ccc1NCCNC(C)=O)-c2nnc(O)cc2
+c1(N)ccc(cc1I)Br
+c1(N)cccnc1
+c1(N)ccnc(C(=O)O)c1
+c1(N)ccnc(Cl)c1
+c1(N)ccnc(O)c1
+c1(N)cn[nH]c1
+c1(N)cnc(C)cc1
+c1(N)cnc(cc1)Br
+c1(N)cnc(cc1)C(=N)N
+c1(N)cnc(cc1)C(=O)OC
+c1(N)cnc(cc1)Cl
+c1(N)cnc(cc1)N
+c1(N2CC(CO)OC2=O)ccc(I)c(F)c1
+c1(N2CC(OC2=O)CN)ccc(I)c(F)c1
+c1(N2CCOCC2C)nc(Cl)nc(CI)c1
+c1(NC(=O)C)nc(CCl)cs1
+c1(NC(=O)C)nccs1
+c1(NC(CC(=O)C)=O)c(C(=O)OC)cc(cc1)I
+c1(Nc2nccc(CO)c2)nc(C)cs1
+c1(O)c(C(=O)c2ccc(O)c(CCC)c2O)cccc1
+c1(O)c(ccnc1Br)[N+](=O)[O-]
+c1(O)c(ncc(C)c1)[N+](=O)[O-]
+c1(O)c(ncc(F)c1)[N+](=O)[O-]
+c1(O)c2c(ccs2)ncc1[N+](=O)[O-]
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+c1(O)cc(C)c(Cl)nn1
+c1(O)ccc([N+]([O-])=O)cc1[N+]([O-])=O
+c1(O)cccc(O)c1C(=O)C
+c1(O)cccc(O)c1CCC
+c1(O)cccc(O)c1[N+](=O)[O-]
+c1(O)ccccc1C(C(OC)=O)=O
+c1(O)ccccc1C(C)=O
+c1(O)nc(N)nc(Cl)c1
+c1(O)nc(ccc1[N+]([O-])=O)Cl
+c1(O)nc(nc(c1)N)C
+c1(O)nnc(cc1)Cl
+c1(OC(C(OCC)=O)CCC=C)c(cccc1)OC
+c1(OC)c(cc(OC)cc1)F
+c1(OC)cc([N+]([O-])=O)cc(N)c1
+c1(OC)cc(c(cc1OC)N)C(=O)Nc2ccccc2Cl
+c1(OC)cc(cc(OC)c1)COc2cc(n[nH]2)N
+c1(OC)cc(cc(OC)c1)N
+c1(OC)cc(cc(OC)c1)N=C=O
+c1(OC)cc(cc(OC)c1C(=O)c2ccccc2)Br
+c1(OC)cc(cc(OC)c1C)C(=O)OC
+c1(OC)cc(cc(OC)c1OC(=O)CC)C
+c1(OC)cc(cc(OC)c1OCc2ccccc2)CC(=O)OC
+c1(OC)ccc(C)c(OC)c1
+c1(OC)nc(nc(OC)c1[N+]([O-])=O)Cl
+c1(OC)nc(nc(OC)n1)Oc2c(C(OCc3ccccc3)=O)c(Cl)ccc2
+c1(OCC2Oc3ccccc3OC2)c4ccccc4ccc1C(OC)=O
+c1(S)cccs1
+c1(SC)ccc(C(=O)O)cc1[N+]([O-])=O
+c1(SC)ncc2CNCCc2n1
+c1(SC)nccc(O)n1
+c1([N+]([O-])=O)c(F)cccc1O
+c1([N+]([O-])=O)c(NC(C)=O)ccc(c1)C2=CC(=O)c3ccc(c(c3O2)OC)OC
+c1([N+]([O-])=O)c(O)cccc1
+c1([N+]([O-])=O)c(cccc1)-c2cccc(OC)c2
+c1([N+]([O-])=O)cc(Br)c(Cl)cc1
+c1([N+]([O-])=O)cc(Br)c(F)cc1
+c1([N+]([O-])=O)cc(Cc2cnccc2)cnc1Cl
+c1([N+]([O-])=O)cc(Cl)c(C)cc1
+c1([N+]([O-])=O)cc(Cl)c(F)cc1
+c1([N+]([O-])=O)cc(Cl)c(cc1)C(=O)O
+c1([N+]([O-])=O)cc(Cl)c(cc1)CC(=O)O
+c1([N+]([O-])=O)cc(Cl)c(cc1)CC(OC)=O
+c1([N+]([O-])=O)cc(c(C)cc1)C(=O)O
+c1([N+]([O-])=O)cc(c(Cl)cc1)C(=O)O
+c1([N+]([O-])=O)cc(c(Cl)cc1F)O
+c1([N+]([O-])=O)cc(c(F)cc1)C#N
+c1([N+]([O-])=O)cc(c(F)cc1)C(=O)O
+c1([N+]([O-])=O)cc(c(NN)cc1)C(=O)O
+c1([N+]([O-])=O)cc(c(cc1)C(CCl)=O)Br
+c1([N+]([O-])=O)cc(cc(c1OC)OC)C(=O)O
+c1([N+]([O-])=O)cc(ccc1)NC(CC(=O)C)=O
+c1([N+]([O-])=O)cc(ccc1)O
+c1([N+]([O-])=O)cc(ccc1C)O
+c1([N+]([O-])=O)cc(ccc1O)C(=O)C
+c1([N+]([O-])=O)cc2c(cc1)cc[nH]2
+c1([N+]([O-])=O)cc2c(cc1)nc(o2)C
+c1([N+]([O-])=O)cc2c(ncnc2cc1F)O
+c1([N+]([O-])=O)ccc(Br)c(CC(OC)=O)c1
+c1([N+]([O-])=O)ccc(Br)c(c1)O
+c1([N+]([O-])=O)ccc(Br)nc1
+c1([N+]([O-])=O)ccc(C#N)c(c1)O
+c1([N+]([O-])=O)ccc(Cl)c(c1)O
+c1([N+]([O-])=O)ccc(O)c(F)c1
+c1([N+]([O-])=O)ccc(O)nc1
+c1([N+]([O-])=O)ccc(c(-c2ccnn2C)c1)O
+c1([N+]([O-])=O)ccc(c(C)c1)Br
+c1([N+]([O-])=O)ccc(c(C)c1)C(=O)O
+c1([N+]([O-])=O)ccc(c(c1)O)C
+c1([N+]([O-])=O)ccc(nc1)Cl
+c1([N+]([O-])=O)ccc(nc1)N
+c1([N+]([O-])=O)ccc2[nH]nc(c2c1)N
+c1([N+]([O-])=O)ccc2c(CCC(CO)O2)c1
+c1([N+]([O-])=O)ccc2c(c(Cl)ns2)c1
+c1([N+]([O-])=O)ccc2c(c(ncc2C)N)c1
+c1([N+]([O-])=O)ccc2n[nH]cc2c1
+c1([N+]([O-])=O)cccc(-c2nc3c(o2)ccc(C)n3)c1
+c1([N+]([O-])=O)cccc(C(C(=O)O)N)c1
+c1([N+]([O-])=O)cccc(C)c1N
+c1([N+]([O-])=O)cccc(C=NO)c1
+c1([N+]([O-])=O)cccc(CBr)c1
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+c1(cc(cc(Br)c1O)C(=O)O)Br
+c1(cc(cc(C)c1)-c2[n+](ccnc2-c3cc(C)cc(c3)C)[O-])C
+c1(cc(cc(C)c1B(O)O)C)C
+c1(cc(cc(C)c1Br)O)C
+c1(cc(cc(C)c1C(C)=O)OC)C
+c1(cc(cc(C)c1C(OC)=O)Br)C
+c1(cc(cc(C)c1C2C(CCC2=O)=O)Br)C
+c1(cc(cc(C)c1NC(C)=O)[N+](=O)[O-])C
+c1(cc(cc(C)c1O)C(c2cccs2)=O)C
+c1(cc(cc(C)c1OC)C(O)=O)C
+c1(cc(cc(Cl)c1)COc2cc(Cl)cc(c2)C(=O)O)Cl
+c1(cc(cc(Cl)c1)N)Cl
+c1(cc(cc(Cl)c1)SC)Cl
+c1(cc(cc(Cl)c1C(C(=O)N)c2ccc(cc2)Cl)N3N=CC(NC3=O)=O)Cl
+c1(cc(cc(Cl)c1CO)OC)Cl
+c1(cc(cc(Cl)c1Oc2ccc(cc2)OC)CC3C(NC(=O)S3)=O)Cl
+c1(cc(cc(F)c1)C(CC(OC(C)C)=O)C2CCN(CC2)C(OCc3ccccc3)=O)F
+c1(cc(cc(F)c1)CBr)F
+c1(cc(cc(F)c1)CCCC(OCCC)=O)F
+c1(cc(cc(F)c1-c2c(Cl)nc(nc2Cl)-c3ncccc3)F)F
+c1(cc(cc(F)c1Br)O)F
+c1(cc(cc(F)c1CBr)OCC)F
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+c1(cc(cc(O)c1N)[N+]([O-])=O)O
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+c1(cc(cc(OCC)c1-c2ccc(cc2)F)C(=O)OCC)OCC
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+c1(cc(cc2c1c[nH]n2)Br)[N+]([O-])=O
+c1(cc(ccc1)Br)-c2nc3c(cccc3)[nH]2
+c1(cc(ccc1)C#N)Br
+c1(cc(ccc1)C(=O)C)Br
+c1(cc(ccc1)C(=O)OC)Br
+c1(cc(ccc1)C(=O)OCC)Br
+c1(cc(ccc1)C(CBr)=O)Br
+c1(cc(ccc1)C(Cl)=O)Br
+c1(cc(ccc1)CC(OC)=O)C=O
+c1(cc(ccc1)NC(=O)COC)C=O
+c1(cc(ccc1)NN)Br
+c1(cc(ccc1)O)C(CC(=O)O)NC
+c1(cc(ccc1)O)C=O
+c1(cc(ccc1Br)C(=O)OC)F
+c1(cc(ccc1Br)C2CC(Br)C(CC)CO2)F
+c1(cc(ccc1F)CBr)C
+c1(cc(ccc1N(CC(=O)C)C=O)C(=O)OC)OC
+c1(cc(ccc1OC)CN)OC
+c1(cc(ccc1OCc2ccc(nc2)OC)CNc3ccc(I)cc3[N+]([O-])=O)OC
+c1(cc(ccc1[N+]([O-])=O)C(=O)N)OC
+c1(cc(ccc1[N+]([O-])=O)CO)OC
+c1(cc(ccc1[N+]([O-])=O)F)NCC2CNCC2
+c1(cc(ccc1[N+]([O-])=O)F)OC
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+c12c(c(cc(c1)O)OC3CCOC3)c(ncn2)Nc4cc(Cl)c(F)cc4
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+c12c(c3c(c(O)n1)[nH]nc3)cccc2
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+c12c(cc(c(c1)Br)Br)OCO2
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+c12c(ccc(N)n1)CC3(c4cccnc4NC3=O)C2
+c12c(ccc(OC)c1)CCC2CCN
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+c1c(Cl)c(c(cc1Cl)Cl)CO
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+c1c(Cl)cccc1CC2(C(=O)Nc3c2ccc(Cl)c3)C4CCCNC4
+c1c(Cl)nc(c2ccccc12)Cl
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+c1c(F)c(c(cc1)F)C(=O)N=C=O
+c1c(F)c(c(cc1)F)C(Nc2cn[nH]c2)=O
+c1c(F)c(c(cc1)F)C(Nc2cn[nH]c2-c3nc4c([nH]3)cc(CO)cc4)=O
+c1c(F)c(c(cc1)F)CC#N
+c1c(F)c(c(cc1)F)Cc2cc(c(c(OC)c2)O)Br
+c1c(F)c(c(cc1)F)N
+c1c(F)c(c(cc1)F)N2C(C=CC(C(OC)=O)=C2)=O
+c1c(F)c(c(cc1)F)OCCCCCC
+c1c(F)c(c(cc1-c2c(cccc2)C#N)F)CBr
+c1c(F)c(c(cc1Br)F)C(=O)O
+c1c(F)c(c(cc1Br)F)N
+c1c(F)c(c(cc1Br)F)[N+](=O)[O-]
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+c1c(F)c(cc(F)c1C#N)N
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+c1c(F)c(ccc1F)C#N
+c1c(F)c(ccc1F)C(CBr)=O
+c1c(F)c(ccc1F)C(NN)=O
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+c1c(F)c(ccc1Oc2cccc(c2F)F)-c3nn(c4ncnc(N)c34)CC5CCCN5
+c1c(F)c2c(c(c(nc2cc1F)-c3ncccc3)C)Cl
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+c1c(F)cc(cc1)F
+c1c(F)cc(cc1-c2c(c(C)c(Cl)cc2C(C)O)C=O)F
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+c1c(F)cc(cc1OCCO)F
+c1c(F)ccc2c1NC(=S)N2
+c1c(F)cccc1O
+c1c(F)cncc1Br
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+c1c(F)nccc1
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+c1c(I)cc(Cl)c(F)c1
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+c1c(I)cc(c(N)c1)F
+c1c(I)cc(c(N)c1)[N+]([O-])=O
+c1c(I)cc(c(NC2=CC(=O)N(C)C=C2C(=O)OCC)c1)F
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+c1c(I)cc2c(occ2CCNC(C)=O)c1
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+c1c(I)cn2c(nc(C(=O)OCC)c2)c1
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+c1c(N)cc(S)cc1
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+c1c(N)cc(cc1)C(=O)OC
+c1c(N)cc(cc1)C=C
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+c1c(N)cc(cc1)OCC
+c1c(N)ccc(F)c1F
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+c1c(Nc2c(N)ccc(c2F)F)c(F)cc(I)c1
+c1c(O)c(c(cc1)O)C=O
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+c1c(O)c(c2c(c1)ccc(OCC(OC)=O)c2)C(C)=O
+c1c(O)cc(Cl)c(Cl)n1
+c1c(O)cc(cc1)O
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+c1c(OC)ccc(CN2C(C(N)C2=O)C(OC)=O)c1OC
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+c1c(OC)ccc(Cl)c1Br
+c1c(OC)ccc(OC)c1N
+c1c(OC)ccc(c1Br)O
+c1c(OC)ccc2[n+](cc([N+]([O-])=O)cc12)[O-]
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+c1c(OC)ccc2c1cc(C)[nH]2
+c1c(OC)ccc2nc(sc12)Cl
+c1c(OC)ccc2ncc(Cl)nc12
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+c1c([N+]([O-])=O)cc(N)c2CCCCc12
+c1c([N+]([O-])=O)cc(N2C=CC(=CC2=O)C)cc1C(=O)OC
+c1c([N+]([O-])=O)cc(cc1N)[N+]([O-])=O
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+c1c([N+]([O-])=O)ccc2nc(sc12)Cl
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+c1c([N+]([O-])=O)cccc1C(=O)O
+c1c([N+]([O-])=O)cccc1C(CBr)=O
+c1c([N+]([O-])=O)cccc1I
+c1c([n+]([O-])c(C)cc1)Br
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+c1c(c(-c2cc(Cl)n3ncc(Br)c3n2)ccc1)Cl
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+c1c(c(O)c([N+]([O-])=O)cc1C(=O)OC)Br
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+c1c(c(OC)c(cc1F)O)F
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+c1c(c(OCC)cc(C(=O)O)c1)OCC
+c1c(c(S)ccc1F)F
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+c1c(c(c(Cl)cc1)Cl)C[Zn+]
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+c1c(c(c(N)cc1F)C(=O)N)F
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+c1c(c(c(c(I)c1)C#N)F)OC
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+c1c(c(c(cc1F)O)[N+]([O-])=O)F
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+c1c(c(cc(OC)c1CC)OC)[N+](=O)[O-]
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+c1c(c(cc(c1)O)Cl)Cl
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+c1c(c(ccc1)C(=O)c2c(scc2)N)F
+c1c(c(ccc1)C(Cl)=O)Br
+c1c(c(ccc1)C(c2ccc(Cl)nc2N)=O)F
+c1c(c(ccc1)C)C(Cl)=O
+c1c(c(ccc1)CBr)C(OC)=O
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+c1c(c(ccc1)Cl)C(c2ccccc2Cl)O
+c1c(c(ccc1)Cl)NC
+c1c(c(ccc1)F)-c2ncc(O)cc2
+c1c(c(ccc1)F)C23N=C(SCCC2C3)N
+c1c(c(ccc1)I)CO
+c1c(c(ccc1)N=C=S)Br
+c1c(c(ccc1)NC(C=COCC)=O)Br
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+c1c(c(ccc1)OC)CCN
+c1c(c(ccc1)OC)CCO
+c1c(c(ccc1C#N)[N+]([O-])=O)NC
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+c1c(c(ccn1)N)N
+c1c(c(cs1)C)-c2ccc(cc2C)C(=O)O
+c1c(c(ncc1C(=O)O)CC)CC
+c1c(c2CCCCCc2[nH]1)CCCO
+c1c(c2c(c3n(nc(CO)n3)c(n2)N)cc1)COC
+c1c(c2c(cccc2)c(c1)CCC(OCC)=O)O
+c1c(c2ccn(c2cc1C(=N)N)C)OC
+c1c(cc(Br)c(c1)O)F
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+c1c(cc(C(=O)O)cc1F)Br
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+c1c(cc(C(=O)OC)c(c1)O)I
+c1c(cc(C(CO)(C)N)c(F)c1)Br
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+c1c(cc(C)c(c1)C(=O)O)Br
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+c1c(cc(C)cc1)C(=O)N
+c1c(cc(C)cc1)C(N(OC)C)=O
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+c1c(cc2C3(c4c(Oc2c1)ncc(c4)Br)N=C(N)OC3)I
+c1c(cc2N(C(COc2c1)=O)C)Br
+c1c(cc2NC(=O)COc2c1)Br
+c1c(cc2NCC(C)N(c2c1)C(=O)C)Br
+c1c(cc2OCCC(=C(Cl)c2c1)C=O)Br
+c1c(cc2OCCC(c2c1)=O)F
+c1c(cc2OCCc2c1)Br
+c1c(cc2OCN(C(c2c1)=O)C)F
+c1c(cc2[nH]c3c(CCNC3)c2c1)Br
+c1c(cc2[nH]cc(c2c1)CC(OCC)=O)Br
+c1c(cc2c(Cl)ccnc2c1)Br
+c1c(cc2c(N)ccnc2c1)Br
+c1c(cc2c(O)c([N+]([O-])=O)cnc2c1)Br
+c1c(cc2c(OC(=O)N2C)c1)Br
+c1c(cc2c(OC(C(=O)C)=CC2=O)c1)Br
+c1c(cc2c(OC(N2)=O)c1)Br
+c1c(cc2c(OCC(CO)O2)c1)Br
+c1c(cc2c(OCO2)c1)Br
+c1c(cc2c(Sc3ccccc3C(Cl)C2)c1)C
+c1c(cc2c(c([nH]c2c1)-c3cnccc3)C)Br
+c1c(cc2c(c(c(cc2)OCC#N)Br)c1)Br
+c1c(cc2c(c(c(cc2)OCC(OCC)=O)Br)c1)Br
+c1c(cc2c(c(cnc2c1)C(=O)OCC)O)Br
+c1c(cc2c(c(ncc2)O)c1)Br
+c1c(cc2c(c1)C(N(C)C=C2)=O)Br
+c1c(cc2c(c1)C=CC(=O)N2CC(OC)=O)Br
+c1c(cc2c(c1)CCCN2)Br
+c1c(cc2c(c1)CCN2)Br
+c1c(cc2c(c1)SCCC(C(=O)OC)=C2)Br
+c1c(cc2c(c1)c(c(nc2)N)C#N)Br
+c1c(cc2c(c1)cc[nH]2)Br
+c1c(cc2c(c1)ccnc2)Br
+c1c(cc2c(c1)ccnc2Cl)Br
+c1c(cc2c(c1)cnn2C3CCCCO3)Br
+c1c(cc2c(c1)nc(nc2Cl)NC)Br
+c1c(cc2c(c3ccccc3[nH]2)c1C)Cl
+c1c(cc2c(c[nH]c2c1)CC(=O)O)Br
+c1c(cc2c(c[nH]c2c1)CC3NCCC3)Br
+c1c(cc2c(cccc2)c1)OC
+c1c(cc2c(nc(-c3cc(F)ccc3)cc2O)c1)Br
+c1c(cc2c(nc(s2)Cl)c1)Br
+c1c(cc2c(oc(CO)c2C)c1)Br
+c1c(cc2c3c(nc(CCOC)n3CCCN4CCCC4=O)cnc2c1)Br
+c1c(cc2c[nH]nc2c1)Br
+c1c(cc2cc(C(=O)OCC)[nH]c2c1)Br
+c1c(cc2cc[nH]c2c1)Br
+c1c(cc2ccc(Cl)nc2c1)Br
+c1c(cc2ccc(nc2c1)CN)Br
+c1c(cc2nc(COc3ccc(F)c(c3F)C(=O)N)sc2c1)Br
+c1c(cc2ncc(c(Nc3cc(c(cc3)Sc4nccn4C)Cl)c2c1)C#N)Br
+c1c(cc2nccc(C(=O)OC)c2c1)Br
+c1c(cc2sc(c(C(=O)OCC)c2c1)N)Br
+c1c(ccc(-c2c(cno2)C(=O)OCC)c1F)F
+c1c(ccc(-c2ncccc2)c1OC)C(=O)C
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5cc(ccc5-c4n3)Br)c1F)F
+c1c(ccc(Br)n1)O
+c1c(ccc(C)n1)O
+c1c(ccc(C=CC(N)=O)c1F)F
+c1c(ccc(C=O)c1F)F
+c1c(ccc(CBr)c1F)F
+c1c(ccc(CN)c1-c2ncc(C)o2)F
+c1c(ccc(F)c1F)C=O
+c1c(ccc(N)c1F)C=2Oc3c(c(c(c(C)c3F)F)N)C(=O)C=2
+c1c(ccc(O)c1F)F
+c1c(ccc(Oc2cc(C(=O)O)ccc2[N+]([O-])=O)c1F)F
+c1c(ccc([N+]([O-])=O)c1F)F
+c1c(ccc(c1Br)O)C(=O)C
+c1c(ccc(c1Cl)Cl)CCCC#N
+c1c(ccc(c1F)CC(=O)O)F
+c1c(ccc(c1F)CCl)F
+c1c(ccc(c1F)Cc2ccc(O)nc2)F
+c1c(ccc(c1F)N2c3c(ccc(c3)Br)C(C=C2C)=O)F
+c1c(ccc(c1OC)O)C(=O)C
+c1c(ccc(c1OC)O)CC(N)C(=O)O
+c1c(ccc(c1OC)O)CC=C
+c1c(ccc(n1)-c2ccc(SC)cc2F)O
+c1c(ccc(n1)C(=O)OC)O
+c1c(ccc(n1)Cl)O
+c1c(ccc2nc(Cl)c(OC)nc12)F
+c1c(ccc2nccn12)CO
+c1c(cccc1C(=O)CC(OCC)=O)C#N
+c1c(cccc1C2NC(=O)CC2)OC
+c1c(cccc1CCC(=O)O)O
+c1c(cccc1I)Br
+c1c(cccc1OC)OCCBr
+c1c(cccc1S)OC
+c1c(cccc1[N+]([O-])=O)C(Cl)=O
+c1c(cn(n1)CC(O)=O)Oc2ncnc3cc(OC)c(cc23)OC
+c1c(cnc(C(=O)O)c1F)F
+c1c(cnc(C(C)N)c1)F
+c1c(cnc(C(C)N)c1F)F
+c1c(cnc(C(C)NC(C)=O)c1F)F
+c1c(cnc(c1)Br)F
+c1c(cnc(c1)NC(c2cnc(Br)cc2)=O)C(=O)OC
+c1c(cnc2c1CC3(c4cccnc4NC3=O)C2)C(=O)OC
+c1c(cncc1Br)C(=O)OC
+c1c(n(-c2cc(Cl)ncn2)nc1C)N
+c1c(n(-c2ncccc2)nc1C)N
+c1c(n(nc1Cl)-c2ncccc2Cl)C(=O)O
+c1c(n2c(cc(n2)CC)cc1)Br
+c1c(nc(-c2cnc3c(Cl)nccn23)cc1)Br
+c1c(nc(Br)c(n1)N)Br
+c1c(nc(C(=O)C)cc1)C
+c1c(nc(O)cc1)C
+c1c(nc(cc1)C(=O)O)-c2nc(Br)ccc2
+c1c(nc(cc1)C(Cc2ccc(F)c(Br)c2)=O)C
+c1c(nc(cc1)F)Br
+c1c(nc(cc1)F)C
+c1c(nc(cc1)N)C
+c1c(nc(cc1)N)F
+c1c(nc(nc1C(Cl)=O)Cl)Cl
+c1c(nc(nc1Cl)Cl)C(=O)OC
+c1c(nc2c(ccc(N)n2)c1)Cl
+c1c(nc2ccccc2c1N)C
+c1c(ncc2c1c(ncn2)Nc3cc4cnn(Cc5cccc(F)c5)c4cc3)F
+c1c(nccc1)C
+c1c(oc2c1cc(C#N)cc2)CO
+c1c(oc2c1cc(c(c2C(=O)OC)CC(=C)C)O)CC
+c1c(sc(c1)CCCC(OC)=O)N
+c1c-2c(ccc1)C(c3ccccc-23)COC(ON4C(CCC4=O)=O)=O
+c1c2C(=O)CC(Sc2ccc1)C(O)=O
+c1c2C(=O)N(C(c2ccc1)=O)CC(O)=O
+c1c2C(CC(=O)OC)c3ccccc3C(N(C)c2cc(OC(=O)C)c1)=O
+c1c2C(Nc3cccnc3Nc2ccc1)=O
+c1c2C(c3ccc(c(Cl)c3)Cl)CCC(c2cc(C(=O)OC)c1)NC
+c1c2CC(C(=O)O)NCc2cc(c1)O
+c1c2CC3C(CC(CC3)=O)Cc2ccc1
+c1c2CCC(=O)Cc2ccc1C(=O)OC
+c1c2CCC(C(Nc2ccc1)=O)N
+c1c2CCC(c2ccc1)N
+c1c2CCCCC(C(=O)Nc2ccc1)N=[N+]=[N-]
+c1c2CCNc2cc(c1)O
+c1c2CNCc2cs1
+c1c2NC(=O)COc2cc(N)c1
+c1c2NC(CCc2cc(N)c1)=O
+c1c2NC(CCc2cc(c1)O)=O
+c1c2NC(Cc2cc(C#N)c1)=O
+c1c2[nH]nc(Cl)c2c([N+]([O-])=O)cc1
+c1c2c(Br)cccc2n(-c3ccnc(SC)n3)c1
+c1c2c(C(=O)c3c(O2)cccc3)ccc1C(=O)OC
+c1c2c(C=O)csc2ccc1
+c1c2c(CC(C(=O)OC)N)c[nH]c2ccc1
+c1c2c(CC(OC)=O)c[nH]c2ccc1
+c1c2c(CCBr)c[nH]c2ccc1
+c1c2c(CCC(=O)C2)nc(O)c1
+c1c2c(Cl)cccc2sc1C(=O)C
+c1c2c(Cl)nc(SC)nc2[nH]c1CC
+c1c2c(F)cccc2ccc1
+c1c2c(NC(=O)CC2)ccc1
+c1c2c(NC(N2)=O)c(Cl)cc1
+c1c2c([nH]cc2CC(CO)N)ccc1
+c1c2c([nH]cc2CC(O)=O)ccc1
+c1c2c([nH]cc2CCC(=O)O)ccc1
+c1c2c([nH]cc2CN)ccc1
+c1c2c([nH]nc2ccc1)Sc3c(F)cccc3
+c1c2c(c(C)ccc2)[nH]c1C(=O)O
+c1c2c(c(CCC(OCC)=O)cs2)ccc1O
+c1c2c(c(Cl)cc1)OC(=O)C(C(CBr)=O)=C2
+c1c2c(c(cnc2cc3c1cc(OC)c(OCCCl)c3)C#N)O
+c1c2c(c(ncc2)O)ccc1OC
+c1c2c(c[nH]c2ccc1)CC(C(O)=O)N
+c1c2c(c[nH]c2ccc1)CC(N)=O
+c1c2c(cc(Br)c1)C(C(CCCCCCCC)C2)=O
+c1c2c(cc(Br)c1)CC(N)C2
+c1c2c(cc(Br)cc2)ccc1Br
+c1c2c(cc(C#CCCCCCCCC)cc2)cc(OC)c1
+c1c2c(cc(C(=O)CBr)c1)OCO2
+c1c2c(ccc(C)c2)[nH]c1C(=O)O
+c1c2c(ccc(c2ccc1)Br)C=O
+c1c2c(ccc1)-c3c(cccc3)C2(CCCCBr)C(=O)O
+c1c2c(ccc1)-n3c(nnc3)CC(=O)N2
+c1c2c(ccc1)C(=O)N(C2=O)Cc3c(c(C)cc(c3)[N+]([O-])=O)Br
+c1c2c(ccc1)C(=O)N(C2=O)Cc3cc4c(cc3)C(C(C4)CCCCN(CCC)CCC)OC
+c1c2c(ccc1)C(=O)N(C2=O)O
+c1c2c(ccc1)CC(C2)(C(OCC)=O)c3c[nH]cn3
+c1c2c(ccc1)CC2=O
+c1c2c(ccc1)NCC2
+c1c2c(ccc1)NCCC2
+c1c2c(ccc1)NCCCC2
+c1c2c(ccc1)Nc3cc(Cl)ccc3NC2=O
+c1c2c(ccc1)Oc3ccccc3N2
+c1c2c(ccc1)c(O)ccn2
+c1c2c(ccc1)cc(C=O)cc2
+c1c2c(ccc1)cc(cc2)CBr
+c1c2c(ccc1)nc(c(Cl)n2)Cl
+c1c2c(ccc1)nc(o2)N3C(CCCC3)C(OC)=O
+c1c2c(ccc1Br)[nH]c3c2cccc3
+c1c2c(ccc1C(=O)OC)CNCC2
+c1c2c(ccc1C)[nH]c3CCN(Cc23)CC=C
+c1c2c(ccc1O)ncc(c2)Br
+c1c2c(ccc1OC(SC)C(OC)=O)ncc(c2)Br
+c1c2c(ccc1OC)c(C)cc(O)n2
+c1c2c(ccc1OC)cc(C=O)c(n2)-c3ccsc3
+c1c2c(ccc1OC)ncc([N+]([O-])=O)c2
+c1c2c(ccc1OC)ncc(c2)Br
+c1c2c(ccc1OCCCCl)c(ncn2)Cl
+c1c2c(cccc2[nH]c1CC)OC
+c1c2c(ccnc2)c(O)nc1-c3cc(Cl)ncc3
+c1c2c(csc2ccc1)C=Cc3sc(cc3)Br
+c1c2c(n(CC(OC)=O)cc2)ccc1O
+c1c2c(n3CCCC(N)c3c2C)ccc1
+c1c2c(ncnc2cnc1F)Nc3cc(Br)c(Br)cc3
+c1c2c(ncnc2cnc1F)O
+c1c2c3C(CCCc3cc1)C(=O)N2
+c1c2c[nH]nc2ccc1O
+c1c2cc(C(=O)O)[nH]c2ccc1O
+c1c2cc(OC)ccc2[nH]c1C(=O)O
+c1c2cc[nH]c2ccc1O
+c1c2ccc(O)cc2ccc1
+c1c2ccc(O)nc2ccc1O
+c1c2ccc(cc2ccc1)CC(N)C(=O)OC
+c1c2ccc(cc2nc(c1)O)Br
+c1c2ccc(nc2ccc1OC)C
+c1c2ccc(nc2ccc1OC)C(=O)O
+c1c2ccc3cccc4ccc(cc1)c2c34
+c1c2cccc(F)c2ncc1O
+c1c2ccccc2n(Cc3noc(-c4sc(Cl)cc4)c3)c1C(OC)=O
+c1c2ccccc2n[nH]1
+c1c2ccccc2nc(O)c1C(OCC)=O
+c1c2cccnc2ccc1O
+c1c2cccnc2ccc1OCC3CO3
+c1c2n(c(cc2)Br)nc(SC)n1
+c1c2n(ccn2)c(SCCN)cc1
+c1c2n[nH]cc2c(cc1F)Br
+c1c2nc(oc2cc(c1)C(=O)OC)C
+c1c2nccc(Cl)c2ccc1
+c1c2nccc(c2ncc1OC)O
+c1c2ncccc2ccc1OCCCBr
+c1c2nn(C)cc2ccc1OC
+c1c2sc(C(=O)OC)cc2ccc1O
+c1c[n+](c(cc1)Cl)[O-]
+c1c[n+](ccc1)N
+c1c[n+](ccc1OC)N
+c1c[n+](ccc1OC)[O-]
+c1c[n+](ccc1[N+]([O-])=O)[O-]
+c1c[nH]c2c(Br)cccc12
+c1cc(-c2c(CCCC(=O)OCC)nc(o2)-n3c(ncc3)C)c4c(cccc4)c1F
+c1cc(-c2cccs2)cc(CC=O)c1OC
+c1cc(-c2nnnn2C)ncc1Br
+c1cc(-n2cnc(c2)C=O)ncc1Br
+c1cc(Br)c(Cl)cc1F
+c1cc(Br)c(cc1F)C#N
+c1cc(Br)c(cc1F)CC(N)=O
+c1cc(Br)c(cc1F)O
+c1cc(Br)c(cc1I)C(=O)O
+c1cc(Br)cnc1I
+c1cc(Br)ncc1Br
+c1cc(Br)ncc1I
+c1cc(C#N)c(C#N)cc1C(=O)OC
+c1cc(C#N)c(C(=O)OC)cc1F
+c1cc(C#N)c(Cl)cc1F
+c1cc(C(=O)C)c2SC(=O)Nc2c1OC
+c1cc(C(=O)O)cc(C)c1OC
+c1cc(C(=O)O)n(C)c1
+c1cc(C(=O)O)oc1[N+]([O-])=O
+c1cc(C(=O)OC)c(C)cc1F
+c1cc(C(=O)OC)c(Cl)cc1CBr
+c1cc(C(=O)c2sccc2)c3oc(c(c3c1OC)C)C(=O)OCC
+c1cc(C(O)=O)c(cc1)CCc2c(N)cccc2
+c1cc(C)c(C(NN)=O)cc1
+c1cc(C)c(C(OCC)=O)cc1
+c1cc(C)c(cc1)CBr
+c1cc(C)c(cc1)N=C=S
+c1cc(C)n(c1C)-c2nc(Br)ccc2
+c1cc(C)n(c1C)-c2nn(cc2)-c3ccc(cc3)F
+c1cc(C)nc2cc(c(c(OC)c12)OC)OC
+c1cc(C)ncc1Br
+c1cc(C)nnc1Cl
+c1cc(C=CC(=O)O)ncc1Br
+c1cc(C=O)cc(c1OCc2cccc3ccccc23)OC
+c1cc(C=O)cc2SC(Nc12)=O
+c1cc(CC#N)cc(c1OC)C(=O)O
+c1cc(CC)cc(Br)c1OC
+c1cc(CC)cc2C(=O)C(=O)Nc12
+c1cc(CCBr)cc(Br)c1OC
+c1cc(CCC(=O)O)cc(Cl)c1OC
+c1cc(CN)cc(Cl)c1OC
+c1cc(CN)cnc1
+c1cc(CNc2c(cnc(SC)n2)C(=O)OCC)cc(Cl)c1OC
+c1cc(CO)cc([N+]([O-])=O)c1OC
+c1cc(CO)cnc1
+c1cc(CO)ncc1Br
+c1cc(CO)ncc1F
+c1cc(C[Mg]Br)c(C)cc1F
+c1cc(Cl)c([N+]([O-])=O)cc1I
+c1cc(Cl)c(c(C(=O)O)c1OC)C
+c1cc(Cl)c(cc1CBr)C(=O)O
+c1cc(Cl)cc2NC(C(Cc3cc(Cl)ccc3)(Br)c12)=O
+c1cc(Cl)cc2c3c(ncn3-c4c(Cl)cccc4)cnc12
+c1cc(Cl)nc2CNCc12
+c1cc(F)c(F)cc1C(=O)OCC
+c1cc(F)c(F)cc1N=C=O
+c1cc(F)c(O)nc1
+c1cc(F)c(nc1)[N+](=O)[O-]
+c1cc(N(C)N)nnc1Cl
+c1cc(N)c(-c2sc3c(cccn3)n2)cc1
+c1cc(N)c(Br)cc1
+c1cc(N)c(CN)cc1
+c1cc(N)c(CO)cc1
+c1cc(N)c(I)cc1
+c1cc(N)c(NC)cc1
+c1cc(N)c(c(c1OC)[N+]([O-])=O)C
+c1cc(N)c(cc1)F
+c1cc(N)c(cc1)[N+]([O-])=O
+c1cc(N)c2c(CCCC2)c1
+c1cc(N)c2c(CCCCC2)c1
+c1cc(N)cc2c1ccc(O)c2
+c1cc(NC(C)=O)cc2C(=O)C(=O)Nc12
+c1cc(O)c(CO)nc1
+c1cc(O)c(F)nc1
+c1cc(O)c(nc1)[N+](=O)[O-]
+c1cc(O)c2nc(C)cn2c1
+c1cc(O)cc(F)c1F
+c1cc(O)cnc1
+c1cc(O)nc2c1cccc2
+c1cc(O)ncc1Br
+c1cc(OC(C)=O)c(cc1Br)C(=O)O
+c1cc(OC(C)=O)cc(C)c1OCC(OCC)=O
+c1cc(OC)c(Br)cc1Br
+c1cc(OC)c(OC)cc1C=O
+c1cc(OC)c(cc1Br)OCC
+c1cc(OC)c(cc1C(C)=O)OC
+c1cc(OC)c2C(=O)CCc2c1OC
+c1cc(OC)cc2C(CC(Nc12)=O)CC(OC)=O
+c1cc(OCCOC)c(cc1C(=O)OC)OCCOC
+c1cc(S)c(F)cc1
+c1cc(S)cc(C)c1OCC(OCC)=O
+c1cc([Mg]Br)c(OC)cc1OC
+c1cc([N+]([O-])=O)c(Cl)nc1Cl
+c1cc([N+]([O-])=O)c(N)nc1Cl
+c1cc([N+]([O-])=O)c(OCCCl)cc1F
+c1cc([N+]([O-])=O)c(cc1F)Br
+c1cc([N+]([O-])=O)c(cc1F)C(=O)O
+c1cc([N+]([O-])=O)cc(F)c1Oc2ncnc(N)c2
+c1cc([N+]([O-])=O)cc(c1)-c2cc3c(cc2)c(Br)c[nH]3
+c1cc([N+]([O-])=O)cc2C(C(CCc12)Br)=O
+c1cc([N+]([O-])=O)cc2CCNc12
+c1cc([N+]([O-])=O)cc2c1CCN2
+c1cc([N+]([O-])=O)ncc1Br
+c1cc([n+](cc1Br)[O-])C(=O)OC
+c1cc(c(-n2cc3c(cccc3)n2)nc1)C(OCC)=O
+c1cc(c(C#N)cc1Br)OC
+c1cc(c(C(=O)OC)cc1CC2C(=O)NC(=O)S2)O
+c1cc(c(C(C(=O)Cl)=O)cc1)C
+c1cc(c(C(CBr)=O)cc1)C
+c1cc(c(C)cc1Br)OC
+c1cc(c(C)cc1F)[N+]([O-])=O
+c1cc(c(C)nc1)O
+c1cc(c(CC(NC)c2sccc2C)cc1)N
+c1cc(c(CC)cc1)N
+c1cc(c(CCCC(OC)=O)cc1)N
+c1cc(c(Cl)cc1C(=[N+]=[N-])C(=O)OC)Cl
+c1cc(c(Cl)cc1CCl)Cl
+c1cc(c(Cl)cc1F)C(=O)O
+c1cc(c(Cl)cc1F)CN
+c1cc(c(Cl)cc1F)CN=C2NC(=O)CS2
+c1cc(c(Cl)cc1F)[N+]([O-])=O
+c1cc(c(Cl)cc1I)Cc2c3cc(ccc3[nH]c2C)C(=O)OC
+c1cc(c(Cl)nc1Cl)C#N
+c1cc(c(Cl)nc1Cl)C(=O)O
+c1cc(c(F)cc1)C
+c1cc(c(F)cc1I)Br
+c1cc(c(F)nc1)[N+](=O)[O-]
+c1cc(c(N)cc1Br)OC
+c1cc(c(N)cc1C(=N)N)N
+c1cc(c(N)cc1C(=O)O)N
+c1cc(c(NN)cc1)C
+c1cc(c([N+]#N)cc1)[N+](=O)[O-]
+c1cc(c(c(C=O)c1OC)C)Br
+c1cc(c(c(O)c1OC)Cl)C=O
+c1cc(c(cc1)CCl)N
+c1cc(c(cc1)N2C(=O)C(C=O)=C(C=C2)Cl)C
+c1cc(c(cc1Br)[N+]([O-])=O)OC
+c1cc(c(cc1C(=NOC)CCC(=O)O)Cl)Cl
+c1cc(c(cc1C(C=O)CCOC2OCCCC2)Cl)Cl
+c1cc(c(cc1CO)F)C#N
+c1cc(c(cc1F)Br)C(=O)O
+c1cc(c(cc1F)[N+]([O-])=O)CC(=O)O
+c1cc(c2c(c1)c(ccc2)O)O
+c1cc(c2c(c3ccccc3s2)c1)O
+c1cc(c2nccc(Cl)c2c1OC)OC
+c1cc(cc(-n2c(CC)c(C(OC)=O)c(CC)n2)c1)Br
+c1cc(cc(Br)c1OC)C#N
+c1cc(cc(Br)c1OC)C(=O)O
+c1cc(cc(Br)c1OC)F
+c1cc(cc(C(=O)OC)c1OCCCBr)C(=O)C
+c1cc(cc(Cl)c1)C(c2cccc(Cl)c2)C=O
+c1cc(cc(F)c1F)-c2cc3c(ncc(n3)-c4sccc4)c(C(=O)OC)c2OC
+c1cc(cc(N)c1N)C
+c1cc(cc(O)c1C(=O)O)O
+c1cc(cc([N+]([O-])=O)c1C(=O)O)C(=O)OC
+c1cc(cc([N+]([O-])=O)c1OC)F
+c1cc(cc(c1)F)-n2c(cc3ccccc23)C(C)N=[N+]=[N-]
+c1cc(cc(c1Br)O)C(=O)OC
+c1cc(cc(c1Cl)Cl)N=C(N)Nc2nc(cc(n2)C)O
+c1cc(cc(c1Cl)Cl)N=C=O
+c1cc(cc(c1OC)C(=O)O)F
+c1cc(cc(c1OC)F)C2C(CC=O)C2
+c1cc(cc(c1OC)F)C2C(F)CNCC2
+c1cc(cc(c1OC)O)Cc2c(nc(N)nc2)N
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+c1cc(cc2C(C(=O)Nc12)=NN=Cc3c(c(C(=O)O)c(C)[nH]3)C)F
+c1cc(cc2CC(Nc12)=O)F
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+c1cc(cc2ccc(cc12)O)C(=O)O
+c1cc(cc2ccnn12)C(=O)OC
+c1cc(cc2ccnn12)OCCCCBr
+c1cc(ccc1)-c2[nH]c3c(cccc3)c2C(C)=O
+c1cc(ccc1)-c2[nH]c3c(cccc3)c2CCN
+c1cc(ccc1)-c2[nH]nc3cc(ccc23)C
+c1cc(ccc1)-c2[nH]nc3cc(ccc23)C(c4ccccc4)O
+c1cc(ccc1)-c2c(-c3ccccc3)nc4NCCCc4n2
+c1cc(ccc1)-c2c(C(=O)Cl)cccc2
+c1cc(ccc1)-c2c(C(=O)OC)c(nc3ccc(cc23)Br)CC(C)C
+c1cc(ccc1)-c2c(C)c(C(O)=O)c3cc(F)ccc3n2
+c1cc(ccc1)-c2c(C)c(c3ccccc3n2)C(O)=O
+c1cc(ccc1)-c2c(CN=[N+]=[N-])c(c3c(cccc3)n2)C(OC)=O
+c1cc(ccc1)-c2c(F)cc(Br)cc2
+c1cc(ccc1)-c2c(N)nc3ccc(C(=O)OC)cn23
+c1cc(ccc1)-c2c(O)cccc2
+c1cc(ccc1)-c2c(cc(cc2NCc3ccccc3)C(=O)O)S(=O)(=O)Cl
+c1cc(ccc1)-c2c(cc(nn2)O)N3CCNCC3
+c1cc(ccc1)-c2c(ccc(Br)c2)C(=O)O
+c1cc(ccc1)-c2c(cn3CCCc23)-c4ccc(cc4)Cl
+c1cc(ccc1)-c2c(nc(-c3ccccc3)[nH]2)-c4ccccc4
+c1cc(ccc1)-c2c(nc(N)c([N+](=O)[O-])c2)-c3ccc(cc3)C=O
+c1cc(ccc1)-c2c(oc(N)c2C#N)-c3ccccc3
+c1cc(ccc1)-c2cc(Cl)nc3ccc(cc23)Br
+c1cc(ccc1)-c2cc(Nc3ncccc3N)ccc2
+c1cc(ccc1)-c2cc(O)c3c(cccc3)n2
+c1cc(ccc1)-c2cc(O)nc(N)n2
+c1cc(ccc1)-c2cc(c(s2)N)C(OCC)=O
+c1cc(ccc1)-c2cc(cc3cc(O)ccc23)C(OC)=O
+c1cc(ccc1)-c2cc3c([nH]cc3Br)nc2
+c1cc(ccc1)-c2cc3ccccc3o2
+c1cc(ccc1)-c2cc3ncnc(Nc4ccc5c(c4)cc[nH]5)c3s2
+c1cc(ccc1)-c2ccc(-c3c4nc(C5CCC(CC5)CC(NN)=O)cc(N)n4nc3)cn2
+c1cc(ccc1)-c2ccc(C(C)C(O)=O)cc2F
+c1cc(ccc1)-c2ccc(cc2)SC(F)F
+c1cc(ccc1)-c2ccc3c(c4cc(-c5ccccc5)cc6C(C)(C)c7ccccc7-n3c46)c2
+c1cc(ccc1)-c2cccc(-c3ccccc3)c2O
+c1cc(ccc1)-c2cccc(c2)Br
+c1cc(ccc1)-c2cccc3c2c(Cl)nnc3Cl
+c1cc(ccc1)-c2cccc3nc(nc(Cl)c23)Cl
+c1cc(ccc1)-c2ccnc(c2)Cl
+c1cc(ccc1)-c2cn[nH]c2
+c1cc(ccc1)-c2cnc(O)c3c2cccc3
+c1cc(ccc1)-c2cnc(c(c2)C#N)O
+c1cc(ccc1)-c2cnn3c2ncc(-c4ccc(cc4)Br)c3
+c1cc(ccc1)-c2cnn3cc(cnc23)Br
+c1cc(ccc1)-c2cnnc(N)n2
+c1cc(ccc1)-c2nc(-c3c(N)ncc(Br)n3)no2
+c1cc(ccc1)-c2nc(CBr)c(s2)C
+c1cc(ccc1)-c2nc(CCl)c(o2)C
+c1cc(ccc1)-c2nc(Cl)sc2CCC(OC)=O
+c1cc(ccc1)-c2nc(c(c(n2)C)C(C(=O)O)CCC)O
+c1cc(ccc1)-c2nc(nc(OC)n2)-c3cc(CO)ccc3Cl
+c1cc(ccc1)-c2nc(oc2-c3cnc(Cl)cc3)C
+c1cc(ccc1)-c2nc(sc2)C(OCC)=O
+c1cc(ccc1)-c2ncc(nc2)N
+c1cc(ccc1)-c2noc(c2CO)C
+c1cc(ccc1)-c2oc(C)nc2
+c1cc(ccc1)-c2sc(C)c(CCOS(=O)(=O)C)n2
+c1cc(ccc1)-c2sccc2C(O)=O
+c1cc(ccc1)-n2c(Cl)c(C(=O)O)c3cc(ncc23)OC
+c1cc(ccc1)-n2c(c(O)c(Br)c2Br)C(=O)OCC
+c1cc(ccc1)-n2c(ccn2)C3=NN(c4c(F)cc(OCc5ccccc5)cc4)C=C(OC)C3=O
+c1cc(ccc1)-n2cc(C=O)c(OCOC)n2
+c1cc(ccc1)-n2ccc(N)n2
+c1cc(ccc1)-n2nc(N)cc2-c3cccc(CCC)c3
+c1cc(ccc1)-n2nc(c(c2)C#N)N
+c1cc(ccc1)-n2nc(nc2)C(O)=O
+c1cc(ccc1)-n2ncc(C(=O)OCC)c2N
+c1cc(ccc1)-n2ncc3c2CCCC3CC(OCC)=O
+c1cc(ccc1)B(O)O
+c1cc(ccc1)Br
+c1cc(ccc1)C
+c1cc(ccc1)C#CC(=O)C
+c1cc(ccc1)C#CCBr
+c1cc(ccc1)C#Cc2c(nn(CC(O)=O)c2N)-c3ccccc3
+c1cc(ccc1)C#Cc2ccc3n(c4c(c3c2)cc(cn4)Cl)S(=O)(=O)c5ccccc5
+c1cc(ccc1)C#N
+c1cc(ccc1)C(=CC(OCC)=O)c2c3cc[nH]c3cc(c2)OC
+c1cc(ccc1)C(=O)C
+c1cc(ccc1)C(=O)CC2C(C(CN(Cc3ccccc3)C2)C)=O
+c1cc(ccc1)C(=O)CCCl
+c1cc(ccc1)C(=O)CN
+c1cc(ccc1)C(=O)N=C2SCC3C(CF)OCC3(N2)c4c(F)c(F)ccc4
+c1cc(ccc1)C(=O)N=C=O
+c1cc(ccc1)C(=O)N=C=S
+c1cc(ccc1)C(=O)NC=2SCC3C(OCC3(c4c(F)ccc(Br)c4)N=2)C(F)(F)C
+c1cc(ccc1)C(=O)NC=2SCC3COc4cc(ccc4C3(N=2)C)F
+c1cc(ccc1)C(=O)Nc2c(cccc2)O
+c1cc(ccc1)C(=O)OC(=O)c2ccccc2
+c1cc(ccc1)C(=O)OCC(C)CO
+c1cc(ccc1)C(=O)OCC(N)=S
+c1cc(ccc1)C(=O)SCCC(Cl)=O
+c1cc(ccc1)C(=O)c2c(O)cc(O)cc2
+c1cc(ccc1)C(=O)c2c(O)ccc(Br)c2
+c1cc(ccc1)C(=O)c2cccc(C(=O)O)c2
+c1cc(ccc1)C(=O)c2cccc3c2cccc3
+c1cc(ccc1)C(=O)c2cncn2C
+c1cc(ccc1)C(=O)c2nc(CCl)on2
+c1cc(ccc1)C(=S)N
+c1cc(ccc1)C(=S)Nc2ccc(OC)c(c2)C(OC)=O
+c1cc(ccc1)C(C#N)C(=O)OCC
+c1cc(ccc1)C(C(=O)N2CCCCCC2)CCCl
+c1cc(ccc1)C(C(=O)OCC)Br
+c1cc(ccc1)C(C(=O)c2ccccc2)O
+c1cc(ccc1)C(C(O)=O)C2CCCC2
+c1cc(ccc1)C(C)(C)c2cc(ccc2O)C(C)(C)c3ccccc3
+c1cc(ccc1)C(C)(CCCCCBr)CO
+c1cc(ccc1)C(C)CC(=O)O
+c1cc(ccc1)C(C)CO
+c1cc(ccc1)C(C)NC(=O)N
+c1cc(ccc1)C(CBr)=O
+c1cc(ccc1)C(CC)O
+c1cc(ccc1)C(CC=C)(C)C=O
+c1cc(ccc1)C(CC=C)C#N
+c1cc(ccc1)C(CCN)O
+c1cc(ccc1)C(CN)C(O)c2cccc3ccccc23
+c1cc(ccc1)C(CO)CO
+c1cc(ccc1)C(CO)N
+c1cc(ccc1)C(F)(F)C(=O)N
+c1cc(ccc1)C(F)(F)C(F)(F)c2ccccc2C(O)=O
+c1cc(ccc1)C(N)C
+c1cc(ccc1)C(N2CC(C2)CCO)C
+c1cc(ccc1)C(NC(=O)C(O)C(O)C(O)C(CO)NC(C(CC(C)C)N)=O)CC(O)=O
+c1cc(ccc1)C(NC(Nc2c(ccc(N3CCOCC3)c2)OC)=S)=O
+c1cc(ccc1)C(NC(c2c(C)c(nc3c2cccc3)-c4ccccc4)=O)CC
+c1cc(ccc1)C(NC2CNCC23CC3)C
+c1cc(ccc1)C(O)=O
+c1cc(ccc1)C(O)C
+c1cc(ccc1)C(Oc2cc(c(c(I)c2)O)Cl)=O
+c1cc(ccc1)C(Oc2cc(c(cc2)OCC(OC)=O)[N+](=O)[O-])=O
+c1cc(ccc1)C(c2c(N)c[nH]c2C)=O
+c1cc(ccc1)C(c2c(NC(=O)C)sc(c2)Br)=O
+c1cc(ccc1)C(c2c(cc(C)cc2)N)=O
+c1cc(ccc1)C(c2cc(OCc3ccccc3)ccc2)(O)C(OCC)=O
+c1cc(ccc1)C(c2ccc(C(=O)OC)o2)=O
+c1cc(ccc1)C(c2ccc(N)cc2Cl)=O
+c1cc(ccc1)C(c2ccc(OCC=C)cc2O)=O
+c1cc(ccc1)C(c2ccc(cc2)[N+](=O)[O-])=CC(=O)OCC
+c1cc(ccc1)C(c2ccc(cc2O)OC)=O
+c1cc(ccc1)C(c2ccccc2)(C#N)CC(N(C)C)C
+c1cc(ccc1)C(c2ccccc2)(C3C(C)(C)C(N(C3)C4C5CC(CC4CCC5)C(OC)=O)=O)O[SiH2]C(C)(C)C
+c1cc(ccc1)C(c2ccccc2)(C3CCN(S(=O)(=O)c4ccc(cc4)C)C3)C#N
+c1cc(ccc1)C(c2ccccc2)(c3ccc(cc3)OC)Cl
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)Cl
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(COS(=O)(=O)C)COCCCCCCCCCCCCCCCC
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)S
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)SC=Cc4c(CO)ncs4
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(C(=O)c5c(nccc5)F)nc4
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cnc(C=O)c4
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(c5cc(ccc45)C(c6cc(F)cc(c6)F)=O)NC(c7ccc(cc7[N+]([O-])=O)N8CCN(CC8)C)=O
+c1cc(ccc1)C(c2ccccc2)=C(C#N)C(OCC)=O
+c1cc(ccc1)C(c2ccccc2)=CC=O
+c1cc(ccc1)C(c2ccccc2)=N
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(NS(=O)(=O)N4CCOCC4)c(Cl)nc3
+c1cc(ccc1)C(c2ccccc2)=Nc3cc4c(cc(C(OCC)=O)cn4)cc3
+c1cc(ccc1)C(c2ccccc2)=O
+c1cc(ccc1)C(c2ccccc2)Br
+c1cc(ccc1)C(c2ccccc2)C(C(ON3C(CCC3=O)=O)=O)NC(OC)=O
+c1cc(ccc1)C(c2ccccc2)C3CCNCC3
+c1cc(ccc1)C(c2ccccc2)CC(=O)O
+c1cc(ccc1)C(c2ccccc2)CCN3CCC(CC3)NC
+c1cc(ccc1)C(c2ccccc2)CNCc3c(c(C(F)(F)F)ccc3)Cl
+c1cc(ccc1)C(c2ccccc2)N
+c1cc(ccc1)C(c2ccccc2)N3C(C(=O)c4ccccc34)=O
+c1cc(ccc1)C(c2ccccc2)N3C(CC)C(N)C3
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)(C#N)NCc4ccccc4
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)(F)C#N
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)C(c4cc(Br)cc(F)c4)C(C)(C)F
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)Cc4c5c(ccc(c5)F)n(C)c4
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)OS(=O)(=O)C
+c1cc(ccc1)C(c2ccccc2)O
+c1cc(ccc1)C(c2ccccc2)c3cnc(O)cc3
+c1cc(ccc1)C(n2c3c(ccc(N)c3)nc2)CC(OCC)=O
+c1cc(ccc1)C2(CC2COCc3ccccc3)C#N
+c1cc(ccc1)C2(CCC(=O)NC2=O)CCC(O)=O
+c1cc(ccc1)C2(CCC(CC2)=O)N(C)C
+c1cc(ccc1)C2(CCCCC2=O)CCC#N
+c1cc(ccc1)C2(CCN(C(=O)OC)C2)C=O
+c1cc(ccc1)C2(CCN(CC2)C)C(=O)O
+c1cc(ccc1)C2(CCN(CC2)Cc3ccccc3)C#N
+c1cc(ccc1)C2(CN(CCC2)C(OCc3ccccc3)=O)N=[N+]=[N-]
+c1cc(ccc1)C2(NC(NC2=O)=O)CCC
+c1cc(ccc1)C2(c3ccccc3)C(NCC2)=O
+c1cc(ccc1)C23C(CNC2)C3
+c1cc(ccc1)C2=C(c3ccc(OC)cc3CCC2)C#CCCCCO
+c1cc(ccc1)C2=CC(CC(OCC)=O)c3c2cccc3
+c1cc(ccc1)C2C(C(Br)CCC2)=O
+c1cc(ccc1)C2C(C(Nc3c(C)noc3-c4ccc(cc4)Br)C)C2
+c1cc(ccc1)C2C(C(OCC)=O)N(C(=O)C2)C
+c1cc(ccc1)C2C(C2)N3C(=O)C4CNCCN4C3=O
+c1cc(ccc1)C2C(O)CCCC2
+c1cc(ccc1)C2C(c3cc(ccc3C2)OC)=O
+c1cc(ccc1)C2C=CCC(N)C(N2CCOC)=O
+c1cc(ccc1)C2CC2C=O
+c1cc(ccc1)C2CC2N
+c1cc(ccc1)C2CC3CNCC23
+c1cc(ccc1)C2CCc3cccc4NC(=O)N2c34
+c1cc(ccc1)C2CNCC2
+c1cc(ccc1)C2CNCCc3c(c(ccc23)OC)[N+]([O-])=O
+c1cc(ccc1)C2N(C)C(CC2C(=O)O)=O
+c1cc(ccc1)C2c3c(c(Cl)c(c(OC)c3)Cl)C(C2CC)=O
+c1cc(ccc1)C=2C3=NCCN3c4c(ccc(F)c4)[N+]=2[O-]
+c1cc(ccc1)C=2c3c(NC(CN=2)=S)ccc(Cl)c3
+c1cc(ccc1)C=2c3ccccc3N(C)C(=O)C(N)N=2
+c1cc(ccc1)C=C
+c1cc(ccc1)C=CC(=O)O
+c1cc(ccc1)C=CC(Cl)=O
+c1cc(ccc1)C=CC(Nc2cccc(F)c2C)=O
+c1cc(ccc1)C=CC(Nc2cccc(O)c2)=O
+c1cc(ccc1)C=CS(=O)(=O)Nc2cccc(C=CC(=O)O)c2
+c1cc(ccc1)C=Cc2onc(-c3ccc(cc3)F)c2C(O)=O
+c1cc(ccc1)CC(=O)Cl
+c1cc(ccc1)CC(=O)OC
+c1cc(ccc1)CC(C(=O)OC)N
+c1cc(ccc1)CC(C(=O)c2ccc(cc2)F)(C)N(C)C
+c1cc(ccc1)CC(C)N
+c1cc(ccc1)CC(CC#N)NC
+c1cc(ccc1)CC(N)C(=O)OCC
+c1cc(ccc1)CC(N)C(O)=O
+c1cc(ccc1)CC(N)CO
+c1cc(ccc1)CC(Nc2ccccc2Cl)=O
+c1cc(ccc1)CC(c2ccc(c(c2)C)O)=O
+c1cc(ccc1)CC2C(CN(C2)Cc3ccccc3)(C(OCC)=O)F
+c1cc(ccc1)CC2CO2
+c1cc(ccc1)CC2COC(=O)N2C(C(N=[N+]=[N-])CCCCOCc3ccc(c(C)c3)F)=O
+c1cc(ccc1)CC2COC(N2C(C(CC=C)c3ccc(c(Cl)c3)Cl)=O)=O
+c1cc(ccc1)CC2N(C(COCC)=O)C(=O)OC2
+c1cc(ccc1)CC=O
+c1cc(ccc1)CCC
+c1cc(ccc1)CCC(=O)C
+c1cc(ccc1)CCC(=O)O
+c1cc(ccc1)CCC(C(O)=O)CSC(C)=O
+c1cc(ccc1)CCC(C(OCC)=O)Br
+c1cc(ccc1)CCC(NC(CC(OC)=O)C(O)=O)=O
+c1cc(ccc1)CCC=2C(N(c3cnc(C(OC)=O)c(O)c3C=2)Cc4ccccc4)=O
+c1cc(ccc1)CCC=O
+c1cc(ccc1)CCCBr
+c1cc(ccc1)CCCC2CCNCC2
+c1cc(ccc1)CCCCCCCCCCCCCCCCCC
+c1cc(ccc1)CCCCCCCCO
+c1cc(ccc1)CCCCO
+c1cc(ccc1)CCCNCc2cc(ccc2)-c3cnc(cc3)C#N
+c1cc(ccc1)CCC[Mg]Br
+c1cc(ccc1)CCCl
+c1cc(ccc1)CCN2CCC(CC2)=O
+c1cc(ccc1)CCOS(=O)(=O)c2ccc(cc2)C
+c1cc(ccc1)CCS
+c1cc(ccc1)CCl
+c1cc(ccc1)CN(C(C)C)CCCl
+c1cc(ccc1)CN(C)C2C(C(OCC)=O)CNCC2
+c1cc(ccc1)CN(C)CC(=O)c2ccc(cc2)F
+c1cc(ccc1)CN(C)CC(C)(C)CO
+c1cc(ccc1)CN(CC2OC(CC2O)N3C(NC(=O)C(CC)=C3)=O)C
+c1cc(ccc1)CN(CCO)CCC2OCCO2
+c1cc(ccc1)CN(CCOC(C=2C(C(=C(C(OCC)OCC)NC=2C)C(=O)OCC)c3cccc([N+]([O-])=O)c3)=O)C
+c1cc(ccc1)CN(Cc2ccccc2)C(=O)C3CCN(CC3)C(OC(C)(C)C)=O
+c1cc(ccc1)CN(Cc2ccccc2)C(CO)C
+c1cc(ccc1)CN(Cc2ccccc2)C3COc4c(C3)c(OS(=O)(=O)C(F)(F)F)ccc4
+c1cc(ccc1)CN(Cc2ccccc2)CC(=O)OCC
+c1cc(ccc1)CN(Cc2ccccc2)CC(O)CN3CCN(CC3)C(=O)OC(C)(C)C
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+c1cc(ccc1)CN2C(=O)C(=Cc3c(O)c(C(=O)OC)ncc23)Br
+c1cc(ccc1)CN2C(=O)C(N)CCCC2
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+c1cc(ccc1)CN2C(C3CC(C)CC3C2)CO
+c1cc(ccc1)CN2C(C=CC2=O)=O
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+c1cc(ccc1)CN2C(CCC)=NC=3CCCC=3C2=O
+c1cc(ccc1)CN2C(CCC)=Nc3c(C2=O)cccn3
+c1cc(ccc1)CN2C3(C(NCC3)=O)CCC2
+c1cc(ccc1)CN2C3(CC3)CNCC2
+c1cc(ccc1)CN2C3C(NCC2)C(CCC3)N4CCCC4
+c1cc(ccc1)CN2C3CC(NC(Nc4ccc(F)c(F)c4)=O)CCC3(c5ccc(c(c5)OC)OC)CC2
+c1cc(ccc1)CN2C3CCNCC2CCC3
+c1cc(ccc1)CN2CC(C(C(C)=O)CC2)c3ccc(cc3)Cl
+c1cc(ccc1)CN2CC(C)C(=O)CC2
+c1cc(ccc1)CN2CC(CC)C(CC2)=O
+c1cc(ccc1)CN2CC(CC2)N
+c1cc(ccc1)CN2CC(CCO)NCC2
+c1cc(ccc1)CN2CC(NCCC#N)CC2
+c1cc(ccc1)CN2CC(O)CC2
+c1cc(ccc1)CN2CC(c3cc(c(Cl)cc3)Cl)C([N+](=O)[O-])C2
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+c1cc(ccc1)CN2CC3CC(C(OC(C)=O)C3)C2
+c1cc(ccc1)CN2CC3CCCNC3C2
+c1cc(ccc1)CN2CC3c4c(scc4)C(C3CC2)=O
+c1cc(ccc1)CN2CCC(=O)C(C(=O)OC)C2
+c1cc(ccc1)CN2CCC(=O)C(CC2)C(=O)OCC
+c1cc(ccc1)CN2CCC(C(N(C)c3ncnc4[nH]ccc34)C2)C
+c1cc(ccc1)CN2CCC(C(O)C2)C(=O)OCC
+c1cc(ccc1)CN2CCC(C)C(C2)NC
+c1cc(ccc1)CN2CCC(CC2)(C#N)O
+c1cc(ccc1)CN2CCC(CC2)(C)N
+c1cc(ccc1)CN2CCC(CC2)(CC(OCC)=O)O
+c1cc(ccc1)CN2CCC(CC2)=O
+c1cc(ccc1)CN2CCC(CCOC)(C(OCC)=O)C(C2)O
+c1cc(ccc1)CN2CCC(CO)C2
+c1cc(ccc1)CN2CCC3(CC2)C(NC(=O)N3CCc4ccc(cc4)OC)=O
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+c1cc(ccc1)CN2CCCCC(CO)C2
+c1cc(ccc1)CN2CCCCC(N)C2
+c1cc(ccc1)CN2CCNC(C2)C
+c1cc(ccc1)CN2CCNCC2
+c1cc(ccc1)CN2c3c(NC2=O)c(N)nc(CCl)n3
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+c1cc(ccc1)CNC(C)CO
+c1cc(ccc1)CNC(N2C(CCC2)C(=O)N3C(CCC3)C(O)CC(=O)OCC)=O
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+c1cc(ccc1)CNN
+c1cc(ccc1)CNO
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+c1cc(ccc1)COC(=O)NC2C(CCCC2)CO
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+c1cc(ccc1)COC(c2c3c([nH]c2C)ccc(c3)CCO)=O
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+c1cc(ccc1)COCC2CC(C2)N3C(NC(C(F)=C3)=O)=O
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+c1cc(ccc1)COCCOCCC(OCC)=O
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+c1cc(ccc1)COc2cc(CCCn3ccnn3)ccc2
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+c1cc(ccc1)OCCCl
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+c1cc(ccc1)S(=O)(=O)n2c3ncc(c(Cl)c3cc2)[N+]([O-])=O
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+c1cc(ccc1)[Li]
+c1cc(ccc1)[Mg]Cl
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+c1cc(ccc1)[P+](c2ccccc2)(c3ccccc3)C4CCCCC4
+c1cc(ccc1)[P+](c2ccccc2)(c3ccccc3)CC
+c1cc(ccc1)[P+](c2ccccc2)(c3ccccc3)CC4CCOCC4
+c1cc(ccc1)[P+](c2ccccc2)(c3ccccc3)CCC
+c1cc(ccc1)[P+](c2ccccc2)(c3ccccc3)CCCC
+c1cc(ccc1)[P+](c2ccccc2)(c3ccccc3)CCCCC
+c1cc(ccc1)[P+](c2ccccc2)(c3ccccc3)CCCCC#N
+c1cc(ccc1)[P+](c2ccccc2)(c3ccccc3)CCCCC(O)=O
+c1cc(ccc1)[P+](c2ccccc2)(c3ccccc3)CCCOC
+c1cc(ccc1)[P+](c2ccccc2)(c3ccccc3)CCc4ccccc4
+c1cc(ccc1)[P+](c2ccccc2)(c3ccccc3)Cc4c(I)cc(cc4)Br
+c1cc(ccc1)[P+](c2ccccc2)(c3ccccc3)Cc4c5c(cccc5)[nH]n4
+c1cc(ccc1)[P+](c2ccccc2)(c3ccccc3)Cc4ccc(cc4)Br
+c1cc(ccc1)[P+](c2ccccc2)(c3ccccc3)Cc4ccc(cc4)C(=O)O
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+c1cc(ccc1)[P+](c2ccccc2)(c3ccccc3)Cc4ccccc4
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OC3CCC(CC3)Oc4cc(Br)ccc4Cl
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC3CCC(C)CN3C(=O)OC(C)(C)C
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCc3nc(oc3C)-c4ccc(cc4)O
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3ccc(cc3)B(O)O
+c1cc(ccc1)[Si](c2ccccc2)(Cl)C(C)(C)C
+c1cc(ccc1)[Si](c2ccccc2)(OC3CN(C3)c4nc(C(=O)NC5CN(CC5)C(=O)OCc6ccc(cc6)[N+]([O-])=O)cs4)C(C)(C)C
+c1cc(ccc1)[Si](c2ccccc2)(OCCCN3S(=O)(=O)Nc4ccccc4C3)C(C)(C)C
+c1cc(ccc1)[Si](c2ccccc2)(OCc3c(ccc(-n4cccc4)c3Cl)Cl)C(C)(C)C
+c1cc(ccc1)[Si](c2ccccc2)(OCc3cc(ccc3)C(C4C(OC(OC4=O)(C)C)=O)C5CC5)C(C)(C)C
+c1cc(ccc1-c2[nH]ccn2)Br
+c1cc(ccc1-c2c(-c3c(Cl)cccc3)[nH]nc2N)Cl
+c1cc(ccc1-c2c(-c3ccc(cc3)F)c(n(c2)C(C)C)C(OCC)=O)F
+c1cc(ccc1-c2c(-c3ccccc3)cc4c(n5nc(C)cc5nc4)n2)C=O
+c1cc(ccc1-c2c(-c3ccnc(SC)n3)c4cc(Cl)cc(Cl)n4n2)OC
+c1cc(ccc1-c2c(C#N)c(Cl)nc(OCC)c2C#N)OCCO
+c1cc(ccc1-c2c(C#N)c3c(n2CC)cc(cc3)OC)OCCO
+c1cc(ccc1-c2c(C#N)cccc2)CBr
+c1cc(ccc1-c2c(C#N)cccc2)Cn3c4c(cccc4nc3Cl)C(=O)OCC
+c1cc(ccc1-c2c(C(=O)OCC)c(N)sc2)CC
+c1cc(ccc1-c2c(C(C(F)(F)C=C)O)c(C)no2)Br
+c1cc(ccc1-c2c(C)c(c[nH]2)C(OCC)=O)Cl
+c1cc(ccc1-c2c(C)cc(C(OC)=O)cc2)OC
+c1cc(ccc1-c2c(C)cc(N)c(OC)c2)C(OC)=O
+c1cc(ccc1-c2c(O)ncnc2)C
+c1cc(ccc1-c2c([N+]([O-])=O)cccc2)I
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+c1cc(ccc1Cl)O
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+c1cc(ccc1OCCCCCCCC)C(=O)Cl
+c1cc(ccc1OCCN)Cl
+c1cc(ccc1OCCN2CCCC2)C(=O)O
+c1cc(ccc1OCCN=[N+]=[N-])[N+]([O-])=O
+c1cc(ccc1OCCO)CC(C)=O
+c1cc(ccc1OCCO)CC2SC(=O)NC2=O
+c1cc(ccc1OCCO)Cc2cc(ccc2Cl)Br
+c1cc(ccc1OCCO)N=C(N)N
+c1cc(ccc1OCCOC(=O)C=C)C(=O)O
+c1cc(ccc1OCCOC)C(=O)OC
+c1cc(ccc1OCc2c(oc(n2)-c3ccccc3)C)C=O
+c1cc(ccc1OCc2ccc3ccccc3n2)CC#N
+c1cc(ccc1OCc2ccccc2)-c3nn(cc3-c4ccncc4)C
+c1cc(ccc1OCc2ccccc2)C(=O)O
+c1cc(ccc1OCc2ccccc2)C3=C(OC(C)(C)C3=O)c4ccc(cc4)OC
+c1cc(ccc1OCc2ccccc2)CC(Cl)=NO
+c1cc(ccc1OCc2ccccc2)CC(O)C(OC)=O
+c1cc(ccc1OCc2ccccc2)CC(OCC)C(OCC)=O
+c1cc(ccc1OCc2ccccc2)CC3N(CCc4cc(ccc34)OC)c5ccc(cc5)[N+](=O)[O-]
+c1cc(ccc1OCc2ccccc2)CCCO
+c1cc(ccc1OCc2ccccc2)N=C(N)c3c(cc(cc3)Cl)Cl
+c1cc(ccc1OCc2ccccc2)OC3C(=O)NCC3
+c1cc(ccc1OCc2ccccc2C(OC)=O)CCOc3ccc(cc3)O
+c1cc(ccc1OCc2csc(-c3ccccc3)n2)CO
+c1cc(ccc1OCc2nccc(c2)Cl)C(=O)O
+c1cc(ccc1Oc2c(C#N)c(Cl)ccc2)S(=O)(=O)Cl
+c1cc(ccc1Oc2c(C(=O)OC)cc(I)cn2)Oc3cc(ccc3)F
+c1cc(ccc1Oc2c(c(C(OC)=O)ccc2)[N+]([O-])=O)F
+c1cc(ccc1Oc2c(cc(F)cn2)C(OC)=O)F
+c1cc(ccc1Oc2c(cc(cc2)F)F)C(OCC)=O
+c1cc(ccc1Oc2c3cnc(c(O)c3ccc2)C(=O)OC)OC
+c1cc(ccc1Oc2c3sc(cc3ncc2)C(=O)OC)NC(Nc4cc(ccc4F)C)=O
+c1cc(ccc1Oc2cc(C(=O)OC)cc(OC3C(=O)NCC3)c2)-c4oc(C)nn4
+c1cc(ccc1Oc2ccc(cc2)C=O)CCC(=O)O
+c1cc(ccc1Oc2ccc(cc2)Cl)CC(OC)=O
+c1cc(ccc1Oc2ccc(cc2)F)S(=O)(=O)NCCc3c(OC)cccc3
+c1cc(ccc1Oc2ccc3c(c(C(=O)OCCCC)nc(c3c2)O)O)F
+c1cc(ccc1Oc2cccc(C=O)c2)OC
+c1cc(ccc1Oc2ccccc2F)I
+c1cc(ccc1P(C)(C)=O)N
+c1cc(ccc1P(Cl)(Cl)=O)F
+c1cc(ccc1P2(SP(c3ccc(cc3)OC)(S2)=S)=S)OC
+c1cc(ccc1S(=O)(=O)C)-c2ccsc2-c3ccc(cc3)F
+c1cc(ccc1S(=O)(=O)C)C2=CN(C(=O)N2)C3CC3
+c1cc(ccc1S(=O)(=O)C)CBr
+c1cc(ccc1S(=O)(=O)C)CN
+c1cc(ccc1S(=O)(=O)C)Oc2cc(c3[nH]c(cc3c2)C(OCC)=O)OCc4ccccc4
+c1cc(ccc1S(=O)(=O)C2c3c(ccc(c3OCC2CCC=O)F)F)Cl
+c1cc(ccc1S(=O)(=O)CCO)C
+c1cc(ccc1S(=O)(=O)C[N+]#[C-])C
+c1cc(ccc1S(=O)(=O)Cl)C(C)C
+c1cc(ccc1S(=O)(=O)Cl)C(O)=O
+c1cc(ccc1S(=O)(=O)Cl)C=C
+c1cc(ccc1S(=O)(=O)Cl)F
+c1cc(ccc1S(=O)(=O)Cl)N=C=O
+c1cc(ccc1S(=O)(=O)Cl)NC(=O)C
+c1cc(ccc1S(=O)(=O)Cl)OC(=O)C
+c1cc(ccc1S(=O)(=O)N(CC(C)C)CC(=O)OCC)OC
+c1cc(ccc1S(=O)(=O)N)CN
+c1cc(ccc1S(=O)(=O)N2c3ccccc3SC(C=C2)CCO)NC(C)=O
+c1cc(ccc1S(=O)(=O)N=C=O)C
+c1cc(ccc1S(=O)(=O)N=C=O)Cl
+c1cc(ccc1S(=O)(=O)NC2C(=O)NCCCC2)Cl
+c1cc(ccc1S(=O)(=O)NCCO)C(N)=NO
+c1cc(ccc1S(=O)(=O)Nc2cc(ccc2)OC)Br
+c1cc(ccc1S(=O)(=O)O)NC
+c1cc(ccc1S(=O)(=O)OC)C
+c1cc(ccc1S(=O)(=O)OCC(=O)OCC)-c2ccc(cc2)Cl
+c1cc(ccc1S(=O)(=O)OCCC2CCc3c(cccc3)O2)C
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCCOc2ccc(cc2)[N+](=O)[O-])C
+c1cc(ccc1S(=O)(=O)n2c(-c3c[nH]c4cc(c(OC)cc34)OCc5ccccc5)cc6cccnc26)C
+c1cc(ccc1S(=O)(=O)n2c(cc3c(ccnc23)C=O)-c4c5nc(c(OC)cc5n(c4)C)OC)C
+c1cc(ccc1S(=O)(=O)n2c3c(cc2-c4c5c(cc(c(OC)n5)OC)n(c4)CCCl)cccn3)C
+c1cc(ccc1S(=O)(=O)n2c3ccc(cc3c(c2)C4C(C=O)C4)C#N)C
+c1cc(ccc1S(=O)(=O)n2nc(c(c2C)CCOS(=O)(=O)C)C)C
+c1cc(ccc1S(=O)(C)=NCC(=O)OCC)C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O
+c1cc(ccc1S)Br
+c1cc(ccc1S)C(C)C
+c1cc(ccc1S)Cl
+c1cc(ccc1S)F
+c1cc(ccc1S)NC(=O)C
+c1cc(ccc1S)OC
+c1cc(ccc1SC(c2ccc(OC)c(OC)c2)C#N)C
+c1cc(ccc1SC)C#N
+c1cc(ccc1SC)C=C(C(O)=O)c2ccc(cc2)C
+c1cc(ccc1SC)C=CC(C)=O
+c1cc(ccc1SC)C=O
+c1cc(ccc1SC)CC(O)=O
+c1cc(ccc1SCCCCl)Cl
+c1cc(ccc1SSc2ccc(cc2)Cl)Cl
+c1cc(ccc1Sc2c(C(O)=O)ccc(C(=O)O)c2)C
+c1cc(ccc1Sc2c(c(C(=O)O)ccc2)C(O)=O)C
+c1cc(ccc1Sc2ccc(OCc3cccc(Br)c3)cc2N)O
+c1cc(ccc1Sc2ccc(cc2)C=CC(=O)OC)Cl
+c1cc(ccc1[Mg]Br)CC
+c1cc(ccc1[Mg]Br)Cl
+c1cc(ccc1[Mg]Br)F
+c1cc(ccc1[Mg]Br)N(C)C
+c1cc(ccc1[Mg]Br)OC
+c1cc(ccc1[Mg]Br)OCc2ccccc2
+c1cc(ccc1[N+](=O)[O-])-c2cc(C(=O)OCC)c([nH]2)N
+c1cc(ccc1[N+](=O)[O-])-c2cc(n3nccc3n2)NCc4c(cc(cc4)Cl)Cl
+c1cc(ccc1[N+](=O)[O-])-c2nn(C3OCCCC3)cc2C=O
+c1cc(ccc1[N+](=O)[O-])C(=O)N
+c1cc(ccc1[N+](=O)[O-])C(=O)c2ccc[nH]2
+c1cc(ccc1[N+](=O)[O-])C(=S)N
+c1cc(ccc1[N+](=O)[O-])C(C)(C)C#N
+c1cc(ccc1[N+](=O)[O-])C(CBr)=O
+c1cc(ccc1[N+](=O)[O-])C(N)=N
+c1cc(ccc1[N+](=O)[O-])C(O)=O
+c1cc(ccc1[N+](=O)[O-])CN2c3c(NC4C(C2=O)CCC4)cccc3
+c1cc(ccc1[N+](=O)[O-])NCCO
+c1cc(ccc1[N+](=O)[O-])NN
+c1cc(ccc1[N+](=O)[O-])Nn2cnnc2
+c1cc(ccc1[N+](=O)[O-])O
+c1cc(ccc1[N+](=O)[O-])Oc2ccc3COCc3c2
+c1cc(ccc1[N+]([O-])=O)C(C(=O)O)C
+c1cc(ccc1[N+]([O-])=O)C(C(=O)O)C(C)C
+c1cc(ccc1[N+]([O-])=O)C2CC(=O)NC(=O)C2
+c1cc(ccc1[N+]([O-])=O)C2CC2C(=O)O
+c1cc(ccc1[N+]([O-])=O)C=O
+c1cc(ccc1[N+]([O-])=O)CBr
+c1cc(ccc1[N+]([O-])=O)CCC(=O)Cl
+c1cc(ccc1[N+]([O-])=O)CCC(=O)O
+c1cc(ccc1[N+]([O-])=O)CCN
+c1cc(ccc1[N+]([O-])=O)CO
+c1cc(ccc1[N+]([O-])=O)COC(=O)N2CC(O)CC2COCC(O)=O
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(=O)Cc4ccccc4)=O
+c1cc(ccc1[N+]([O-])=O)COC(C=2N3C(C(Br)C3=O)SC=2)=O
+c1cc(ccc1[N+]([O-])=O)CON
+c1cc(ccc1[N+]([O-])=O)Cl
+c1cc(ccc1[N+]([O-])=O)I
+c1cc(ccc1[N+]([O-])=O)N
+c1cc(ccc1[N+]([O-])=O)Nc2ncc(Br)c(Nc3ccccc3)n2
+c1cc(ccc1[N+]([O-])=O)OC(F)(F)C
+c1cc(ccc1[N+]([O-])=O)OC(OC2(CC2)C)=O
+c1cc(ccc1[N+]([O-])=O)OC(Oc2ccc(cc2)[N+]([O-])=O)=O
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)Cl
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)OCC2CO2
+c1cc(ccn1)-c2c(c[nH]c2C(=O)OC)-c3ccc(cc3)F
+c1cc(ccn1)-c2c3CCc4c(cccc4)-c3[nH]n2
+c1cc(ccn1)-c2cc(c(s2)C(OC)=O)N
+c1cc(ccn1)-c2cccc3c2cc[nH]3
+c1cc(ccn1)-c2n3CCCc3nc2-c4ccc(cc4)SC
+c1cc(ccn1)-c2nc(Nc3cc(ccc3)OC(F)(F)C(F)F)ncc2
+c1cc(ccn1)-c2ncc(N)nc2-c3occc3
+c1cc(ccn1)-c2ncnc(N)c2
+c1cc(ccn1)C(=O)C2C(CCC(C2)C(=O)OC)=O
+c1cc(ccn1)C(=O)CC(OCC)=O
+c1cc(ccn1)C(=O)NN
+c1cc(ccn1)C(=O)O
+c1cc(ccn1)C(C)=O
+c1cc(ccn1)C(C2(OC2)c3c(F)cc(cc3)F)C
+c1cc(ccn1)C2=CC(=O)N(C)C(=N2)Cl
+c1cc(ccn1)C=C
+c1cc(ccn1)CCl
+c1cc(ccn1)CNCc2cc(ccc2)-c3ccnc(n3)Cl
+c1cc(ccn1)CO
+c1cc(ccn1)NC=2C(C(C=2OCC)=O)=O
+c1cc(ccn1)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC
+c1cc(ccn1)SCC(=O)O
+c1cc(cnc1)N=C=S
+c1cc(cnc1C(=O)O)-c2ncccc2
+c1cc(cnc1C(=O)O)C#N
+c1cc(cnc1C(=O)O)C(=O)OC
+c1cc(cnc1C(=O)O)CCCC
+c1cc(cnc1C(=O)O)F
+c1cc(cnc1CBr)-c2c(C(OC)=O)cccc2
+c1cc(cnc1Cl)C#N
+c1cc(cnc1Cl)C(=O)N
+c1cc(cnc1Cl)C(=O)OC
+c1cc(cnc1Cl)C(Cl)=O
+c1cc(cnc1Cl)C(NC)=O
+c1cc(cnc1Cl)C(Nc2cn3c(nc(C)c3)cc2)=O
+c1cc(n(C)c1)C(=O)OC
+c1cc(nc(CC)c1Oc2ccnc(-c3cnc(C)cc3)c2)N
+c1cc(nc(Cl)c1OCOC)C(=O)O
+c1cc(nc([N+]([O-])=O)c1OC)C(=O)O
+c1cc(nc2CCCCc12)O
+c1cc(nc2c(c(O)ccc12)[N+](=O)[O-])C
+c1cc(ncc1Br)C#N
+c1cc(ncc1Br)C(=O)O
+c1cc(ncc1Br)C(=O)c2cc(C(=O)OC)c(F)cc2
+c1cc(ncc1Br)C(NCC)=O
+c1cc(ncc1Br)C=O
+c1cc(ncc1Br)CCC#N
+c1cc(ncc1Br)CNC(CCC(=O)O)=O
+c1cc(ncc1Br)Cl
+c1cc(ncc1Br)F
+c1cc(ncc1Br)N
+c1cc(ncc1C2CO2)Cl
+c1cc(ncc1F)N
+c1cc(ncc1I)C#N
+c1cc(ncc1I)Cl
+c1cc(nnc1C(=O)O)Cl
+c1cc(nnc1C(=O)OC)NN
+c1cc(nnc1Cl)-c2ccc(cc2O)O
+c1cc(nnc1Cl)-c2cnccc2
+c1cc(nnc1Cl)Cl
+c1cc(nnc1Cl)NN
+c1cc(nnc1I)Cl
+c1cc(nnc1I)N
+c1cc(oc1[N+]([O-])=O)C(Cl)=O
+c1cc-2c(NC(C(c3ccccc-23)N)=O)cc1
+c1cc2CCN(Cc2cc1)C(C(=O)O)C=3CCCC=3
+c1cc2CNCCc2nc1
+c1cc2NC(CCc2cc1Br)=O
+c1cc2OCOc2cc1NC(CCCl)=O
+c1cc2c(C(=O)C(=O)N2)cc1Br
+c1cc2c(C(=O)C(=O)N2)cc1I
+c1cc2c(CC(=O)C2)cc1OC
+c1cc2c(CCN2)cc1Br
+c1cc2c(CCNC2)o1
+c1cc2c(c(C)ccc2)cc1F
+c1cc2c(c(Cl)ccn2)cc1I
+c1cc2c(c(O)c(C#N)cn2)cc1I
+c1cc2c(c(ncn2)Cl)cc1I
+c1cc2c(c(nnc2Cl)-c3cc(c(C)s3)C)cc1
+c1cc2c(c(nnc2Cl)O)cc1
+c1cc2c(c3ccccc3[nH]2)c(O)c1
+c1cc2c(cc(C)[nH]2)cc1
+c1cc2c(cc(C)n2CC(OC)=O)cc1F
+c1cc2c(cc1)Nc3ccccc3CC2
+c1cc2c(cc1)c(cnc2N)[N+](=O)[O-]
+c1cc2c(cc1Br)C=C(C(=O)OC)CCCN2
+c1cc2c(cc1CO)c(ncn2)Cl
+c1cc2c(cc1F)c(cnc2N)C(=O)C
+c1cc2c(cc1O)CC(N)C2
+c1cc2c(ccc3nnc(-c4ncccc4)n23)cc1I
+c1cc2c(cccc2I)nc1Cl
+c1cc2c(cccc2[N+]([O-])=O)nc1Cl
+c1cc2c(ccnc2Cl)nc1Cl
+c1cc2c(nc1Cl)c([N+]([O-])=O)ccc2
+c1cc2c(nc1Cl)c(ncn2)N
+c1cc2c(ncnc2nc1Cl)O
+c1cc2c(nnc(c2cc1)-c3scc(C)c3)Cl
+c1cc2c(oc3c2cccc3)c(c1)O
+c1cc2c3n(cc2C4C(=O)NC(C4c5c[nH]c6c5cccc6)=O)CCCc3c1
+c1cc2cc(C=O)ccc2cc1O
+c1cc2cc3c(ccc(C)c3)cc2cc1
+c1cc2ccc(nc2c(C#N)c1O)C
+c1cc2n(C3CCCCO3)ncc2cc1I
+c1cc2n(cc1Br)c(I)cn2
+c1cc2n(ncc2cc1I)-c3cccc(C(=O)O)c3
+c1cc2n(ncc2cc1I)-c3cccc(c3)Br
+c1cc2nc(CCCC)nc(c2cc1I)O
+c1cc2ncc(n2cc1Br)C(=O)O
+c1cc[nH]c1
+c1ccc(-c2c(-c3c(Cl)nccc3)nc(N)s2)c(Cl)n1
+c1ccc(C#N)c(N)c1
+c1ccc(C#N)c2cc[nH]c12
+c1ccc(C(=O)O)c(N)c1
+c1ccc(C(=O)O)cc1C#N
+c1ccc(C(C)=O)c(N)c1
+c1ccc(C(OC)=O)c(N)c1
+c1ccc(C(OCC)=O)c(N)c1
+c1ccc(C)cc1C#C
+c1ccc(C)o1
+c1ccc(CBr)cc1C(=O)OC
+c1ccc(CN)o1
+c1ccc(Cl)c(N)c1
+c1ccc(N)c(N)c1
+c1ccc(NN)cc1C(=O)OC
+c1ccc(O)c(N)c1
+c1ccc(O)c2cc[nH]c12
+c1ccc(OC)c(c1)C
+c1ccc(OCC(OC)=O)c(c1)C
+c1ccc([N+]([O-])=O)cc1OCC(=O)O
+c1ccc(c(C)c1)S
+c1ccc(c(I)c1)O
+c1ccc(c(N)c1)C#Cc2cccn3nc(nc23)Cl
+c1ccc(c(N)c1)C(N)=O
+c1ccc(c(N)c1)OC
+c1ccc(c(N)c1)S
+c1ccc(c(OCC=C)c1OCC=C)C=O
+c1ccc(c(c1)C)O
+c1ccc(c(c1)N)C
+c1ccc(c(c1OC)C)CCc2ccc(Br)cc2CC#N
+c1ccc(c2cc[nH]c12)[N+]([O-])=O
+c1ccc(cc1C#C)F
+c1ccc(cc1C#C)O
+c1ccc(cc1C(=O)OC)O
+c1ccc(nc1)C(=O)O
+c1ccc(nc1)S
+c1ccc-2c(c1)C(c3c-2cccc3)COC(N=C=S)=O
+c1ccc2C(=O)N(C(=O)c2c1)C3C(=O)N(C(=C(C)C)C(OC)=O)C3CC=C
+c1ccc2C(=O)N(C(=O)c2c1)CCCc3ccncc3
+c1ccc2C(c3ccccc3COc2c1)C(C(OC)=O)CC=C
+c1ccc2CC(Cc2c1)CC(C)(C)N
+c1ccc2CCCc2c1
+c1ccc2CN(Cc2c1)C(c3nc(N)nc4ccc(I)cc34)=O
+c1ccc2CNCCc2c1
+c1ccc2c(-c3ccccc3C2(CO)CO)c1
+c1ccc2c(C(=O)N(C2=O)OC(C(=O)OCc3ccccc3)Cc4ccccc4)c1
+c1ccc2c(CC(CO)NC2)c1
+c1ccc2c(CCc3c(cccc3)NC2)c1
+c1ccc2c(CCl)c(nc(Cl)c2c1)C
+c1ccc2c(NC(N2)=O)c1
+c1ccc2c(OC(CO2)C(=O)Cl)c1
+c1ccc2c([nH]c(CN)n2)c1
+c1ccc2c(c1)CC3(C2)NC(=O)NC3=O
+c1ccc2c(c1)CCC(=O)C2
+c1ccc2c(c1)CCC(C2)C(=O)O
+c1ccc2c(c1)[nH]c(C)c2CC3NCC(O)C3
+c1ccc2c(c1)c(c3ccccc3c2)C(=O)O
+c1ccc2c(c1)cc3cc4c(cccc4)cc3c2
+c1ccc2c(c1)nc3c(cccc3)c2Cl
+c1ccc2c(c1)sc(Cl)n2
+c1ccc2c(c3ccccc3[nH]2)c1
+c1ccc2c(ccc(c2c1)O)F
+c1ccc2c(cccc2OC)c1[N+]([O-])=O
+c1ccc2c(sc(c2)C(=O)O)c1
+c1ccc2c(sc(n2)NN)c1
+c1ccc2c(scc2)c1
+c1ccc2c3C(C=O)CCSc3[nH]c2c1
+c1ccc2c3c4c(ccc13)ccc(c4cc2)CO
+c1ccc2ccc(OC)cc2c1CCO
+c1ccc2ccccc2n1
+c1ccc2nc([nH]c2c1)CNC
+c1cccc(-c2ccc(O)nn2)c1O
+c1cccc(-c2ccn[nH]2)c1O
+c1cccc(C(Cl)=O)c1I
+c1cccc(N)c1C(Nc2ccc(Cl)c(c2)Cl)=O
+c1cccc(OC)c1C2NCCC(C2)O
+c1cccc(OC)c1OC(C#N)C
+c1cccc(OCCCCl)c1C(C)=O
+c1cccc([N+]([O-])=O)c1C(CBr)=O
+c1cccc(c1CN)Sc2c(cccc2)CO
+c1cccc2-c3ccccc3C(c12)COC(=O)NCCO
+c1cccc2-c3ccccc3C(c12)COC(=O)NCCOCCOCC(=O)O
+c1cccc2-c3ccccc3C(c12)COC(NCC(=O)O)=O
+c1cccc2C(=O)N(C(=O)c12)C3CCC(CC3)O
+c1cccc2C(=O)N(C(=O)c12)Cc3c(C=O)cc4c(n3)cccc4F
+c1cccc2C(=O)NC(=O)c12
+c1cccc2CC(N)CNc12
+c1cccc2CCCC(=O)c12
+c1cccc2CCCCC(=O)c12
+c1cccc2Cn3cccc3CNc12
+c1cccc2[nH]cc(c12)C=3C(=O)N(C)C(C=3Br)=O
+c1cccc2c(c([N+]([O-])=O)cnc12)Cl
+c1cccc2c1C(=O)N(C2=O)CC=CC(CC)=CC
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+c1cccc2c1OC(CO)CO2
+c1cccc2c1c3ccccc3n2CCCO
+c1cccc2c1cc3ccccc3c2-c4c5ccccc5c(C)cc4
+c1cccc2cc(ccc12)C(O)=O
+c1cccc2nc(Cl)c3n(ccn3)c12
+c1cccc2nc(cc(c12)Nc3cc(O)ccc3)C
+c1cccc2nc(cnc12)Cl
+c1ccccc1
+c1ccccc1-c2c(-c3ccc(cc3)CO)nc4ccnc(O)c4c2
+c1ccccc1-c2c(-c3ccccc3)cccc2
+c1ccccc1-c2c(C(=O)NCCCCl)c(C)on2
+c1ccccc1-c2c(CCC(=O)O)cccc2
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+c1ccccc1-c2c(F)cc(-c3nc4c(c(n3)O)cc(c(OC)c4)OC)cc2
+c1ccccc1-c2c(O)c3c(cccc3C)nn2
+c1ccccc1-c2c(c(C(=O)O)no2)CCC
+c1ccccc1-c2c(c(C(OCC)=O)c(CC3CCC(C)(C)CC3)nc2O)O
+c1ccccc1-c2c(c(C)on2)C(NN)=O
+c1ccccc1-c2c(c3c(Br)cccc3[nH]2)C
+c1ccccc1-c2c(c3n(n2)cccc3)-c4nnc(O)cc4
+c1ccccc1-c2c(cc(C(=O)O)cc2[N+]([O-])=O)S(=O)(=O)Cl
+c1ccccc1-c2c(cc3cc(ccc3c2OC(=O)C)OC)C
+c1ccccc1-c2c(ccc(Cc3c(c(c(OC)c(c3OC)OC)OC)C)c2)C(OC)=O
+c1ccccc1-c2c(nc3ccc(F)cc3c2C(=O)OC)CC
+c1ccccc1-c2c(nc3n(nc4ccc(cc34)F)c2Cl)Cl
+c1ccccc1-c2c(nc[nH]2)-c3ccccc3
+c1ccccc1-c2c(nnc(Cl)c2)Cl
+c1ccccc1-c2c3c4c([nH]2)c(Cl)ccc4C(CC3)=O
+c1ccccc1-c2c[nH]cc2C(OC)=O
+c1ccccc1-c2cc(C(C)C)nc(c2C#N)O
+c1ccccc1-c2cc(C(O)=O)sc2CC
+c1ccccc1-c2cc(N)sc2Cc3ccccc3
+c1ccccc1-c2cc(c(cc2)C(C(OC)=O)C(OC)=O)[N+]([O-])=O
+c1ccccc1-c2cc(cc3n(cnc23)C)N(C=O)C
+c1ccccc1-c2cc(n[nH]2)N
+c1ccccc1-c2cc3c(oc2CC#N)ccc3
+c1ccccc1-c2cc3ccccc3[nH]2
+c1ccccc1-c2cc3n(c(Cl)c(C(C(OC)=O)O)c(C)n3)n2
+c1ccccc1-c2cc3n(c(cc(Cl)n3)Cl)n2
+c1ccccc1-c2ccc(cc2)-c3c(C(=O)OCC)con3
+c1ccccc1-c2ccc(cc2)B(O)O
+c1ccccc1-c2ccc(cc2)CBr
+c1ccccc1-c2ccc(cc2)CC(N)C(=O)N(C)C
+c1ccccc1-c2ccc(cc2)CNC3CC(CC3)C(O)=O
+c1ccccc1-c2ccc(cc2C)Br
+c1ccccc1-c2ccc3c(cc(cc3)C(c4c(nccn4)Cl)N)n2
+c1ccccc1-c2cccc(c2)-c3cc(ncn3)Nc4ccc(cc4)N(CCO)CC
+c1ccccc1-c2ccccc2B(O)O
+c1ccccc1-c2cn3-c4c(Nc5ccccc5-c3n2)nccc4
+c1ccccc1-c2cnc(O)cn2
+c1ccccc1-c2cnc(nc2O)SC
+c1ccccc1-c2csc(C3(CCOCC3)CN)c2
+c1ccccc1-c2csc3nc(nc(Cl)c23)Cl
+c1ccccc1-c2n3c(nc2C)ccc(C(=O)OC)c3
+c1ccccc1-c2nc(cs2)C(=O)OC
+c1ccccc1-c2nc(nc(-c3ccccc3)n2)Cl
+c1ccccc1-c2ncc(-c3nncn3-c4c(cccc4)Br)cc2
+c1ccccc1-c2nn3c(cc(N)cc3)n2
+c1ccccc1-c2nnc(Cl)cc2
+c1ccccc1-c2sc(C#N)c(N)c2
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+c1ccccc1-c2sc3c(c(C)ccc3)n2
+c1ccccc1-n2c(-c3ccccc3)nc4c2ncnc4O
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+c1ccccc1-n2ccc(n2)C=O
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+c1ccccc1-n2nc(cc2OCC(OCc3ccccc3)=O)C(OCC)=O
+c1ccccc1-n2nc3c(c2N)cccc3
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+c1ccccc1C(=O)CCC(C2CCC(CC2)CCC)=O
+c1ccccc1C(=O)Cc2ccccc2
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+c1ccccc1C(=O)NCC(O)=O
+c1ccccc1C(=O)OC2C(CN(CC(O)CC#N)CC2)F
+c1ccccc1C(=O)OC2CC3OC(=O)CC3C2CCC(COc4cccc(c4)Cl)O
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+c1ccccc1C(O)C(C)N
+c1ccccc1C(O)CCCCCNc2c3ccccc3ncc2[N+]([O-])=O
+c1ccccc1C(O)COC2CCC(CC2F)OCc3ccccc3
+c1ccccc1C(c2c(-n3cncc3)ccc(Br)c2)=O
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+c1ccccc1C(c2ccccc2)(C#N)CCCN(C)Cc3ccccc3
+c1ccccc1C(c2ccccc2)(C3CCNCC3)O
+c1ccccc1C(c2ccccc2)(C=O)CC#N
+c1ccccc1C(c2ccccc2)(CC3CCNCC3)O
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CC5C(CCC5NC(=O)Nc6cc(cc(CC)c6)-c7n(nnn7)C)C4
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CC5CCC(N6CCCC(C6)Cc7ccc(cc7)F)C5C4
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCC4OC(C(CCCCCCC)C4)=O
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(nc(c4)CCCO)F
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(cc(c([N+]([O-])=O)c5)Br)c(-c6cc(ncc6)C)n4
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc([Sn](CCCC)(CCCC)CCCC)nc4
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(CC(=O)O)c4
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(CCl)c4
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+c1ccccc1C(c2ccccc2)C(=O)O
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+c1ccccc1C(c2ccccc2)C=O
+c1ccccc1C(c2ccccc2)CCBr
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+c1ccccc1C(c2ccccc2)N3CC(C3)(N4CCOCC4)CNC(OC(C)(C)C)=O
+c1ccccc1C(c2ccccc2)N3CC(C3)=O
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CCCCN4C(c5ccccc5C4=O)=O
+c1ccccc1C(c2ccccc2)N3CCNCC3
+c1ccccc1C(c2ccccc2)N=C=O
+c1ccccc1C(c2ccccc2)Nc3c(I)cc(Cl)cc3
+c1ccccc1C(c2ccccc2)OC(C3=C(CSC4C(NC(=O)OC(C)(C)C)C(=O)N34)c5sc(nc5)N)=O
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+c1ccccc1C2(OC(=O)N(CC2)C(C)c3ccc(cc3)Br)CCC(NNC(=O)C)=O
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+c1ccccc1C2(c3ccccc3)CCNCC2
+c1ccccc1C2=C(Cl)C(OC2=O)=O
+c1ccccc1C2=CC(C(=O)OC)=C3c4c(CN3C2=O)cccc4
+c1ccccc1C2=CCCn3c2ncc3
+c1ccccc1C2=CCN(CC2)CCC#C
+c1ccccc1C2=CCNCC2
+c1ccccc1C2=NCC(=O)N(c3ccc(cc23)Cl)Cc4ccccc4
+c1ccccc1C2C(C(=O)N2)O
+c1ccccc1C2C(N=[N+]=[N-])C(Nc3ccccc3O2)=O
+c1ccccc1C2C(NC(=O)O2)C
+c1ccccc1C2CCC(CC2)CC(=O)OCC
+c1ccccc1C2CCC(CC2)N
+c1ccccc1C2CCCC(C(=O)N2)N=[N+]=[N-]
+c1ccccc1C2CCCCNC2
+c1ccccc1C2CCCNC2=O
+c1ccccc1C2CNCCN2
+c1ccccc1C2CNc3ccccc23
+c1ccccc1C2CO2
+c1ccccc1C2COC(N2)=O
+c1ccccc1C2NCCCC2N
+c1ccccc1C2NCCN(C)C2
+c1ccccc1C2c3c(CCN(C)C2)ccs3
+c1ccccc1C=2CCN(CC=2)CCCCc3c4c(ccc(C#N)c4)[nH]c3
+c1ccccc1C=2NC(NC=2c3ccccc3)=S
+c1ccccc1C=2NC(SC=2C)=S
+c1ccccc1C=2ONC(=O)C=2
+c1ccccc1C=C(C)C=O
+c1ccccc1C=CCN2CCC(CC2)N
+c1ccccc1C=NCC2OC(N(c3ccc(c(F)c3)C4CCNCC4)C2)=O
+c1ccccc1C=O
+c1ccccc1CBr
+c1ccccc1CC#N
+c1ccccc1CC(=O)C
+c1ccccc1CC(=O)CBr
+c1ccccc1CC(=O)Nc2cc(Br)cnc2
+c1ccccc1CC(=O)O
+c1ccccc1CC(C(O)=O)C
+c1ccccc1CC(C(O)=O)NC(OCc2ccccc2)=O
+c1ccccc1CC(C)(C)CO
+c1ccccc1CC(C)(N)C(O)=O
+c1ccccc1CC(CC(C)=O)N2C(c3ccccc3C2=O)=O
+c1ccccc1CC(CP(OC)(OC)=O)=O
+c1ccccc1CC(N)C(C(=O)N)O
+c1ccccc1CC(N)C(O)C(=O)OCC
+c1ccccc1CC(N)CN
+c1ccccc1CC(NCCc2c3cc(C=O)ccc3ccc2)=O
+c1ccccc1CC(c2ccc(cc2)C3OCCO3)=O
+c1ccccc1CC2(C(OCC)=O)N(CCC2)C(OCc3ccccc3)=O
+c1ccccc1CC2=C(C=O)N=C3N(CCS3)C2=O
+c1ccccc1CC2C3(CC(NCCS3)=O)CCCC2
+c1ccccc1CC2COC(=O)N2
+c1ccccc1CC2N(C(=O)C(CCCCC=C)CO)C(=O)OC2
+c1ccccc1CC2c3c(ccc(c3)N4CC(C4)N)OCC2NC(=O)OCC
+c1ccccc1CC=C
+c1ccccc1CC=Cc2cc([N+]([O-])=O)ccc2
+c1ccccc1CCBr
+c1ccccc1CCC(=O)Cl
+c1ccccc1CCC(C(=O)O)N
+c1ccccc1CCC(c2ccc(cc2)OCCO)=O
+c1ccccc1CCCC#C
+c1ccccc1CCCC(C(C)O)n2c(c(C(=O)N)nc2)N
+c1ccccc1CCCC(C(O)=O)C
+c1ccccc1CCCC(C(OC)=O)C(C)=O
+c1ccccc1CCCC(CCCc2ccccc2)N
+c1ccccc1CCCCC#Cc2c(cc(cc2)C(=O)OCC)F
+c1ccccc1CCCCC(Cl)=O
+c1ccccc1CCCCCC
+c1ccccc1CCCCCC(O)=O
+c1ccccc1CCCCCCC(=O)O
+c1ccccc1CCCCCCCO
+c1ccccc1CCCCCO
+c1ccccc1CCCCOCC=C
+c1ccccc1CCCN
+c1ccccc1CCCNC(c2c(C)nc(nc2-c3cc(Cl)cc(Cl)c3)SC)=O
+c1ccccc1CCCO
+c1ccccc1CCN
+c1ccccc1CCN2C3CCC2CC(C3)=C(c4ccccc4)c5ccc(cc5)C(OCC)=O
+c1ccccc1CCNC(=O)C(=O)Nc2ccc(c(F)c2)OCc3ccccc3
+c1ccccc1CCNc2c(S(=O)(=O)N)cc(cc2[N+]([O-])=O)C(O)=O
+c1ccccc1CCO
+c1ccccc1CCOCCC(N(CC(OC)OC)C)=O
+c1ccccc1CCOc2ccc(cc2CCCC#N)Cl
+c1ccccc1CC[Mg]Br
+c1ccccc1CN
+c1ccccc1CN(Cc2ccccc2)C(CO)C(=O)OC
+c1ccccc1CN(Cc2ccccc2)C3CCC(CC3)C(C)(C)O
+c1ccccc1CN(Cc2ccccc2)C3COC(C(=O)OC)CC3
+c1ccccc1CN(Cc2ccccc2)c3c(c(-c4[nH]ncc4-c5ccncc5)c(F)cc3)F
+c1ccccc1CN(Cc2ccccc2)c3c(c(CC(=O)C(OCC)=O)ccn3)[N+]([O-])=O
+c1ccccc1CN(Cc2ccccc2)c3c(c(ccc3)[N+](=O)[O-])C4OCCO4
+c1ccccc1CN(Cc2ccccc2)c3nc4ccccc4c5c3[nH]cn5
+c1ccccc1CN(c2c(CC(O)=O)cc(cc2F)[N+](=O)[O-])C
+c1ccccc1CN2C(C(=O)O)C(OCC2=O)C
+c1ccccc1CN2C(C)=CC(=CC2=O)O
+c1ccccc1CN2C(CC(=O)OC)COCC2
+c1ccccc1CN2CC(C(C(OC)=O)C2)c3ccc(Cl)c(c3)Cl
+c1ccccc1CN2CC(C(CC2)C(OCC)=O)=O
+c1ccccc1CN2CC(C(OCC)=O)C3(c4ccccc4CCC3)C2
+c1ccccc1CN2CC(CCC2)=O
+c1ccccc1CN2CC(N(Cc3ccccc3)CC2)C=C
+c1ccccc1CN2CC3(CC3)CC2CO
+c1ccccc1CN2CC3C=CC(=O)C3C2
+c1ccccc1CN2CCC(C(CC)(CC)C2)=O
+c1ccccc1CN2CCC(CC2)CCN
+c1ccccc1CN2CCC(CC2)CCl
+c1ccccc1CN2CCC(CC2)N
+c1ccccc1CN2CCC(CC2)N3Cc4cccc(F)c4NC3=O
+c1ccccc1CN2CCC(CC2)N3c4c(C=CC3=O)ccc(NC(=O)C)c4
+c1ccccc1CN2CCC(CC2)NC
+c1ccccc1CN2CCC(CC2)NCCNc3ccccc3
+c1ccccc1CN2CCC(CC2)O
+c1ccccc1CN2CCC(O)C(F)(F)C2
+c1ccccc1CN2CCCC(O)(c3cccc(c3)OC)C2
+c1ccccc1CN2CCN(Cc3ccccc3)C(COCCCCCCCCCCCC)C2
+c1ccccc1CN2CCOCC2=O
+c1ccccc1CN2CCc3cc(nnc3C2)O
+c1ccccc1CN2CCc3nc(Cl)nc(c3C2)Cl
+c1ccccc1CN2Cc3c(C2)c([nH]n3)C(=O)OCC
+c1ccccc1CN2Cc3c(ncnc3O)CC2
+c1ccccc1CN2Cc3ccc(nc3CC2)O
+c1ccccc1CN2N=CC(I)=CC2=O
+c1ccccc1CN2c3c(ccc(C=O)c3CCC2=O)O
+c1ccccc1CN=C=O
+c1ccccc1CN=[N+]=[N-]
+c1ccccc1CNC
+c1ccccc1CNC(=O)C(C(=O)NC(C(OC)=O)C2CCCCC2)Cc3ccc(cc3)C#N
+c1ccccc1CNC(=O)NOCC(O)=O
+c1ccccc1CNC(C)C
+c1ccccc1CNC(Cc2cc(ccc2F)F)CC(OCC)=O
+c1ccccc1CNCC2CCC(CC2)O
+c1ccccc1CNCC2c3c[nH]c4cccc(C(=O)NC2)c34
+c1ccccc1CNCCC(=O)OCC
+c1ccccc1CNCCO
+c1ccccc1CNCCOc2c(cccc2)OC
+c1ccccc1CNCc2ccccc2
+c1ccccc1CNS(=O)(=O)c2ccccc2C(N)=O
+c1ccccc1COC(=O)C(NC(=O)C(N)C)CC(C)C
+c1ccccc1COC(=O)C=Cc2cnc(cc2)N
+c1ccccc1COC(=O)N(C)CC(O)=O
+c1ccccc1COC(=O)N2C(C(=O)OC)CC(OC3CC3)C2
+c1ccccc1COC(=O)N2C(CCC2)c3ncc4n3ccnc4Cl
+c1ccccc1COC(=O)N2CC(N=[N+]=[N-])CCC2C
+c1ccccc1COC(=O)N2CCC(CC2C(OC)=O)=O
+c1ccccc1COC(=O)N2CCCC2C(=O)NCCO
+c1ccccc1COC(=O)N2CCCC2C(Nc3c(O)c(ccc3)C(OC)=O)=O
+c1ccccc1COC(=O)N2CCCCC2C(O)=O
+c1ccccc1COC(=O)NC(C(=O)O)CO
+c1ccccc1COC(=O)NC(C(C)C)C(=O)Nc2cccc(c2C(O)=O)C
+c1ccccc1COC(=O)NC(C(CC(O)=O)O)CC(C)C
+c1ccccc1COC(=O)NC(C(OCC)=O)CCC(O)=O
+c1ccccc1COC(=O)NC(CC(C)C)C(=O)O
+c1ccccc1COC(=O)NC(CCSC(=O)C)C(O)=O
+c1ccccc1COC(=O)NC(CCSC)C(=O)O
+c1ccccc1COC(=O)NC(Cc2nc[nH]c2)C(N=[N+]=[N-])=O
+c1ccccc1COC(=O)NC2C(C)C(C3CC3)Nc4ccc(cc24)Br
+c1ccccc1COC(=O)NC2C(OC)CN(c3nc(c(o3)C(OCC)=O)C)CC2
+c1ccccc1COC(=O)NC2CCN(CC2OCCC)c3cccc(C(OC)=O)c3
+c1ccccc1COC(=O)NC2CN(C#N)C3Cc4c[nH]c5cccc(C3C2)c45
+c1ccccc1COC(=O)NCC2CC(N)CCC2
+c1ccccc1COC(=O)NCCCCNC(NNC(OCC)=O)=O
+c1ccccc1COC(=O)NCCc2nnc3N(CCCCC)c4c([nH]cn4)C(=O)n23
+c1ccccc1COC(=O)Nc2c(nc(cc2)C)O
+c1ccccc1COC(C(c2cc(ccc2)N=C=O)C)=O
+c1ccccc1COC(C2C(C)(C)C(NC(=O)C)C2)=O
+c1ccccc1COC(C2CCCN2)=O
+c1ccccc1COC(C2N(C(CCCCCCC)=O)CCC2)=O
+c1ccccc1COC(N(CC(N(C)c2ccc(cc2)C(OC)=O)=O)C)=O
+c1ccccc1COC(N(CCCC(=O)O)C)=O
+c1ccccc1COC(N2C(=O)NCC2C(=O)O)=O
+c1ccccc1COC(N2C(C(OC)=O)CC(N(C)C)C2)=O
+c1ccccc1COC(N2C(C)CCC(C2)OC(c3ccc(cc3)[N+](=O)[O-])=O)=O
+c1ccccc1COC(N2C(CC(O)C2)C(O)=O)=O
+c1ccccc1COC(N2C(CCC2)C(O)=O)=O
+c1ccccc1COC(N2CC(O)CC2C(OC)=O)=O
+c1ccccc1COC(N2CCC(=O)C3C2CCCC3)=O
+c1ccccc1COC(N2CCCC(C)C2C(=O)O)=O
+c1ccccc1COC(N2CCCC2c3ccc(cc3)Br)=O
+c1ccccc1COC(NC(C(=O)OC)=Cc2cc3c([nH]nc3)c(c2)C)=O
+c1ccccc1COC(NC(C(C)C)C(=O)OC2CCC(CC2)C(OCc3ccc(cc3)OC)=O)=O
+c1ccccc1COC(NC(C(C)C)C(O)=O)=O
+c1ccccc1COC(NC(C(O)=O)CN)=O
+c1ccccc1COC(NC(C)C(O)=O)=O
+c1ccccc1COC(NC(C)Cn2c3c(ccc4OCC(Oc34)CO)cn2)=O
+c1ccccc1COC(NC(COC)C(=O)OC)=O
+c1ccccc1COC(NC(Cn2ncc3ccc(O)c(C=O)c23)C)=O
+c1ccccc1COC(NC2(CC2)C(=O)O)=O
+c1ccccc1COC(NC2C(CCC2)C(=O)OC)=O
+c1ccccc1COC(NC2C(N(CC2)C3C(CC(N)CC3)C(CC)O)=O)=O
+c1ccccc1COC(NC2CC=CCC2NC(OCc3ccccc3)=O)=O
+c1ccccc1COC(NC2CCC(CC2)N(C)C)=O
+c1ccccc1COC(NC2CCC(CC2)c3[nH]c(c(-c4nc(ccc4)C)n3)-c5cc6OCOc6cc5)=O
+c1ccccc1COC(NC2CCCC(C2)C(O)=O)=O
+c1ccccc1COC(NC2CN(S(=O)(=O)c3ccc(Cl)cc3Cl)C4CN(C(C)C)C(C(Cc5ccc(cc5)Cl)N4C2=O)=O)=O
+c1ccccc1COC(NC2CN(c3cccc(c3)C(=O)OC)C2=O)=O
+c1ccccc1COC(NC2c3nc(sc3CC2)-c4ccc(cc4)OCCCCl)=O
+c1ccccc1COC(NCC(N)=N)=O
+c1ccccc1COC(NCC(O)=O)=O
+c1ccccc1COC(NCCC(O)=O)=O
+c1ccccc1COC(NCCCCc2ccc(cc2)O)=O
+c1ccccc1COC(NCCCc2cc(C)nn2CC)=O
+c1ccccc1COC(Nc2cccc(c2C)-c3cnc(C(OCC)=O)c4[nH]c5cc(OCCOC)ccc5c34)=O
+c1ccccc1COC(Nc2nn(c(C(=O)OC)c2)C)=O
+c1ccccc1COC(c2cc(C=O)ccc2OC)=O
+c1ccccc1COC(c2cc(Cl)ccc2OCc3ccccc3)=O
+c1ccccc1COC2=C(OC(=CC2=O)C(S(=O)(=O)c3ccccc3)N)C(=O)O
+c1ccccc1COC2CC(C2)C(O)=O
+c1ccccc1COC2CC(C2)S(=O)(=O)O
+c1ccccc1COC2CC(N3C=C(C(NC3=O)=O)F)OC2CO
+c1ccccc1COC=2C(=O)C=C(OC=2CO)CNS(=O)(=O)c3ccccc3Cl
+c1ccccc1COCC(=O)NCC(=O)c2c(C)onc2-c3ccccc3
+c1ccccc1COCC(CC)CO
+c1ccccc1COCC(O)=O
+c1ccccc1COCC2C(SC(=O)C)CCCO2
+c1ccccc1COCC2OC(CC2)=O
+c1ccccc1COCC2OCC3(N=C(SCC3C2)N)c4ccccc4F
+c1ccccc1COCCC(C(=O)OCC)CC=C
+c1ccccc1COCCC2(CO2)C
+c1ccccc1COCCC2CCC=C(C(=O)OC)C2
+c1ccccc1COCCCBr
+c1ccccc1COCCCC(C(C(=O)OCC)Cl)=O
+c1ccccc1COCCCC(CO)C
+c1ccccc1COCCCCC2(OCC(=O)CCC2)C
+c1ccccc1COCCCCO
+c1ccccc1COCCCN
+c1ccccc1COCCCc2ccc(cc2)Br
+c1ccccc1COCCN
+c1ccccc1COCCN2C(N(C(=O)C=C2NN)CCCC)=O
+c1ccccc1COCCOCCOCCO
+c1ccccc1COCc2cc(ncn2)O
+c1ccccc1COCc2nc(N)nc(N)c2-c3ccc(cc3)[N+](=O)[O-]
+c1ccccc1COCc2nc(c(cn2)C(OCC)=O)O
+c1ccccc1COCc2ncc([N+](=O)[O-])c(n2)O
+c1ccccc1CON
+c1ccccc1CON2c3ncc(Br)cc3C(=C(C(OCC)=O)C2=O)O
+c1ccccc1CONCC(C(C(O)CC(O)P(OCC)(OCC)=O)O)O
+c1ccccc1COP(OCc2ccccc2)(OCCl)=O
+c1ccccc1COc2c(C#N)cc3c(nccc3Oc4cc(F)c(N)cc4)c2
+c1ccccc1COc2c(C#N)nccc2
+c1ccccc1COc2c(C(=O)OCc3ccccc3)cc4cc(ccc4c2)OCc5ccccc5
+c1ccccc1COc2c(C)c(cc(C)c2)[N+](=O)[O-]
+c1ccccc1COc2c(C)cc(Oc3cccc(C(O)=O)c3)cc2
+c1ccccc1COc2c(CC(O)CO)c(cc3CCCc23)Cl
+c1ccccc1COc2c(CC)cc(Br)cc2C
+c1ccccc1COc2c(OC)ccc(C=O)c2
+c1ccccc1COc2c([N+](=O)[O-])c(C)ccc2
+c1ccccc1COc2c(c([N+]([O-])=O)cc(Br)c2)N(C(=O)C)CCOC
+c1ccccc1COc2c(cc(C(=O)C)c(c2)OCc3ccccc3)C(C)C
+c1ccccc1COc2c(cc(c(OCc3ccccc3)c2)C(OC)=O)Br
+c1ccccc1COc2c(cc(cc2)CC(O)=O)C
+c1ccccc1COc2c(cc(nc2)C(O)=O)O
+c1ccccc1COc2c(cc3c(cc(nc3c2)C)O)Br
+c1ccccc1COc2c(cc3c(ncnc3Nc4ccc(Br)cc4F)c2)OC
+c1ccccc1COc2c(cc3c(ncnc3O)c2)OC
+c1ccccc1COc2c(cc3c(ncnc3c2)Nc4c(F)cc(Cl)cc4)OC
+c1ccccc1COc2c3CCCc3ccc2CC(O)CO
+c1ccccc1COc2c3c([nH]cc3)ccc2
+c1ccccc1COc2c3cc(-c4cn5nc(Br)sc5n4)oc3ccc2
+c1ccccc1COc2c3nc(cc(C=C)c3ccc2)C
+c1ccccc1COc2cc(-c3cn(c4ncnc(N)c34)-c5cccc(c5)OCCCl)ccc2OC
+c1ccccc1COc2cc(-c3nc4c([nH]3)ncc(c4)C(OCC)=O)c(cc2)OC(C)C
+c1ccccc1COc2cc(C)c(C(O)C(C(OC)=O)OCC)cc2
+c1ccccc1COc2cc(F)c(cc2)C(=O)O
+c1ccccc1COc2cc(O)ccc2
+c1ccccc1COc2cc(O)ccc2C=CC(=O)OCC
+c1ccccc1COc2cc(O)ncc2
+c1ccccc1COc2cc(c(cc2)C(O)=O)OC
+c1ccccc1COc2cc(cc(Br)c2O)C=O
+c1ccccc1COc2cc(ccc2)-c3nc(C4CC(C4)CO)n5ccnc(c35)Cl
+c1ccccc1COc2cc(ccc2)C
+c1ccccc1COc2cc(ccc2)N
+c1ccccc1COc2cc(ccc2C3CC(=O)N(c4cccc(C#N)c4)C3)OC
+c1ccccc1COc2cc(ccc2NC(C(=O)OC)=CC(O)=O)Br
+c1ccccc1COc2cc(ccc2OC)C(CC(=O)OC)C[N+](=O)[O-]
+c1ccccc1COc2cc(ccc2OCCOC)[N+]([O-])=O
+c1ccccc1COc2cc(ccc2OCc3ccccc3)Br
+c1ccccc1COc2cc3CC(N4C(CC(C(=C4)C(=O)OCC)=O)c3cc2OC)C(C)(C)COC
+c1ccccc1COc2cc3CCCC(c3cc2)C(O)=O
+c1ccccc1COc2cc3c(C(C)=O)n[nH]c3cc2
+c1ccccc1COc2cc3c([nH]cc3)cc2OC
+c1ccccc1COc2cc3c(c(CC(=O)OCC)c2)cccc3
+c1ccccc1COc2cc3c(cc2)CNCC3O
+c1ccccc1COc2cc3c(cc2)c(Nc4n[nH]c(CC(O)=O)c4)ncn3
+c1ccccc1COc2cc3cnc(c(c3cc2)O)C(OCC)=O
+c1ccccc1COc2cc3n(nc(C)c3C(N)=S)cc2
+c1ccccc1COc2cc3ncc(c(NCCO)c3cc2)[N+](=O)[O-]
+c1ccccc1COc2cc3ncc4c(sc(n4)CCC)c3cc2
+c1ccccc1COc2cc3nccc(Cl)c3cc2C#N
+c1ccccc1COc2cc3nccc(O)c3cc2
+c1ccccc1COc2cc3nccc(O)c3cc2OC
+c1ccccc1COc2ccc(C#N)c(O)c2
+c1ccccc1COc2ccc(C(CBr)=O)cc2NS(=O)(=O)C
+c1ccccc1COc2ccc(C(O)CBr)c3SC(=O)Nc23
+c1ccccc1COc2ccc(C=O)cc2CO
+c1ccccc1COc2ccc(CNCCc3ncccc3)cc2CO
+c1ccccc1COc2ccc(Cl)c3cc([nH]c23)C(OCC)=O
+c1ccccc1COc2ccc(Cl)cc2CBr
+c1ccccc1COc2ccc(Cl)cc2Cn3c(C)cc(C(O)=O)n3
+c1ccccc1COc2ccc(OC(C)C(=O)OCC)c(c2)F
+c1ccccc1COc2ccc(c(OCc3ccccc3)c2)C=O
+c1ccccc1COc2ccc(cc2)-c3c(-c4ccncc4)c[nH]n3
+c1ccccc1COc2ccc(cc2)-c3n4nccc4nc5CCCc35
+c1ccccc1COc2ccc(cc2)C(=O)CCC(C)=O
+c1ccccc1COc2ccc(cc2)C(=O)Cc3ccncc3
+c1ccccc1COc2ccc(cc2)C(Cl)=O
+c1ccccc1COc2ccc(cc2)C=O
+c1ccccc1COc2ccc(cc2)CC(OCC)=O
+c1ccccc1COc2ccc(cc2)CCN
+c1ccccc1COc2ccc(cc2)CN
+c1ccccc1COc2ccc(cc2)I
+c1ccccc1COc2ccc(cc2)N
+c1ccccc1COc2ccc(cc2)OCC3OC3
+c1ccccc1COc2ccc(cc2Cl)B(O)O
+c1ccccc1COc2ccc(cc2F)B(O)O
+c1ccccc1COc2ccc3[nH]c(cc3c2)CC(C)C(=O)OC
+c1ccccc1COc2ccc3[nH]ccc3c2
+c1ccccc1COc2ccc3c([n+](cc4c3n(c(COCC)n4)CC(C)(C)NS(=O)(=O)C)[O-])c2
+c1ccccc1COc2ccc3c(c2)ccc(c3)CCl
+c1ccccc1COc2ccc3c(c2)ncc4c3C(CCC4)OC(C)=O
+c1ccccc1COc2ccc3c(oc(c3)C(CC)(CC)O)c2
+c1ccccc1COc2cccc(C(N)=O)c2OCc3ccccc3
+c1ccccc1COc2cccc(C(Nc3ncc(cc3)Br)=O)c2[N+]([O-])=O
+c1ccccc1COc2cccc(c2)B(O)O
+c1ccccc1COc2cccc(c2)C(CCN)O
+c1ccccc1COc2cccc3c(cc(nc23)C)Cl
+c1ccccc1COc2ccccc2O
+c1ccccc1COc2ccnc(c2[N+](=O)[O-])F
+c1ccccc1COc2cncc(OCc3ccccc3)c2CO
+c1ccccc1COc2nc(C)cc(C)c2CN3CCc4c(Cl)cc(C(CC)=O)c(Cl)c4C3=O
+c1ccccc1COc2nnc(cc2OCc3ccccc3)Cl
+c1ccccc1CSC(C)(CCC)CC(=O)OCC
+c1ccccc1CSc2ccc(c([N+](=O)[O-])c2)NC(C)=O
+c1ccccc1CSc2nc(c3sc(N)nc3n2)Cl
+c1ccccc1CSc2ncc(c(N)n2)CNc3c(cccc3)Cl
+c1ccccc1C[Mg]Cl
+c1ccccc1Cc2c(S(=O)(=O)N)cc(C(=O)OCC)cc2SC
+c1ccccc1Cc2c(c3ccccc3o2)-c4ccc(cc4)O
+c1ccccc1Cc2c3c([nH]c2)cccc3
+c1ccccc1Cc2ccc(cc2)O
+c1ccccc1Cc2ncccc2
+c1ccccc1Cc2nnc(Cl)c3ccccc23
+c1ccccc1Cl
+c1ccccc1Cn2c(CC)c(C=O)c(C(=O)OC)c2C(C)C
+c1ccccc1Cn2c3c(ccc(O)c3)nc2Nc4cc(c(cc4)OC)OC
+c1ccccc1Cn2c3c(ccc(c3)OC)cc2C(C)C
+c1ccccc1Cn2c3c(ncc(Br)c3cc2C(=O)OCC)OC
+c1ccccc1Cn2c3cccc(OCc4ccccc4)c3cc2C
+c1ccccc1Cn2ncc(c2C(OCC)=O)C(OCC)=O
+c1ccccc1N(C(=O)c2ccccc2)N
+c1ccccc1N(C)C(=O)Cl
+c1ccccc1N(CC)CCCCCCO
+c1ccccc1N(CCC#N)CCC#N
+c1ccccc1N(CCCC)CCCC
+c1ccccc1N2C(=O)C3=CNC=C(C(OCC)=O)C3=N2
+c1ccccc1N2C(=O)c3c(C(CC#N)=N2)c4cc(Cl)ccc4n3C
+c1ccccc1N2C=C(C)C(=O)c3ccc(cc23)Cl
+c1ccccc1N2CC(OC2=O)COS(=O)(=O)C
+c1ccccc1N2CCNCC2
+c1ccccc1N2N(C)C(C)=C(C(O)=O)C2=O
+c1ccccc1NCC
+c1ccccc1NCC(=O)OCC
+c1ccccc1Nc2c(C(=O)OC)ccc(C(=O)OC)c2
+c1ccccc1Nc2ncn(-c3ccnc(Cl)c3)n2
+c1ccccc1OC(=O)N(C(Oc2ccccc2)=O)c3cc(Oc4cc5ccn(C(=O)NC)c5cc4)ccn3
+c1ccccc1OC(=O)N(C(Oc2ccccc2)=O)c3cc(ccn3)Oc4ccc(NC(C5(CC5)C(Nc6ccccc6)=O)=O)c(F)c4
+c1ccccc1OC(Cl)=O
+c1ccccc1OCC
+c1ccccc1OCC(N(C)OC)=O
+c1ccccc1OCC2OCCN(S(=O)(=O)c3c4c(c([N+]([O-])=O)cc(c4)Cl)[nH]c3C(OCC)=O)C2
+c1ccccc1OCCBr
+c1ccccc1OCCC=O
+c1ccccc1OCCCBr
+c1ccccc1OCCCCC(C(=O)OCC)(C(=O)OCC)C
+c1ccccc1Oc2c(C(=O)NN)cccc2
+c1ccccc1Oc2c(NC(NC(c3ccccc3)=O)=S)ncc(Br)c2
+c1ccccc1Oc2cc(Br)ccc2F
+c1ccccc1Oc2cc(C=O)ccc2F
+c1ccccc1Oc2cc(c(Br)cc2)F
+c1ccccc1Oc2ccc(C)nc2
+c1ccccc1Oc2ccc(cc2)CC(=O)O
+c1ccccc1Oc2ccc(cc2)N
+c1ccccc1Oc2ccc(cc2)O
+c1ccccc1Oc2ccc(cc2)[Mg]Br
+c1ccccc1P(O)(O)=O
+c1ccccc1P(c2ccccc2)(C(F)F)=O
+c1ccccc1P(c2ccccc2)(c3ccccc3)=CC(=O)OC
+c1ccccc1S(=O)(=O)Cc2cc(ccc2[N+](=O)[O-])F
+c1ccccc1S(=O)(=O)Cl
+c1ccccc1S(=O)(=O)NC
+c1ccccc1S(=O)(=O)Nc2cc(Sc3cc(c(cc3)[N+](=O)[O-])C=O)ccc2
+c1ccccc1S(=O)(=O)c2c3c([nH]c2Cl)ccc(c3)Cl
+c1ccccc1S(=O)(=O)c2cc(OC)c([N+](=O)[O-])cc2
+c1ccccc1S(=O)(=O)n2c3cc(F)ccc3c(-c4ccc5oc(nc5c4)CCl)c2
+c1ccccc1S(=O)(=O)n2cc(c3cc(Br)cnc23)Cc4c(nc(cc4)N)F
+c1ccccc1SC
+c1ccccc1SC(c2c3c(cccc3)ccc2OC)C[N+](=O)[O-]
+c1ccccc1SC2(CC2)C(=O)C
+c1ccccc1SCC2NC(=O)C2
+c1ccccc1SCCCBr
+c1ccccc1SSc2ccccc2
+c1ccccc1Sc2c(cc(CO)cc2)C
+c1ccccc1Sc2c3ccccc3[nH]c2
+c1ccccc1Sc2ccc(cc2)Cc3csc(Br)n3
+c1ccccc1Sc2ccc(cc2)O
+c1ccccc1Sc2ccccc2C(Cl)=O
+c1ccccc1[I+]c2c(C(=O)[O-])cccc2
+c1ccccc1[Mg]Br
+c1ccccc1[N+]#N
+c1ccccc1[N+]([O-])=O
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)C
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)C(OCC)C(=O)OCC
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)CC(CC)C
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)CCCC(OCC)=O
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)CCCCCCCCC(O)=O
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)CCOC
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)COC
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4c(O)cccc4
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4cc(F)c(c(F)c4)F
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4ccc(c(c4)Oc5ccccc5)F
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4ccc5cc(OCc6ccccc6)ccc5c4
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4ccccc4Br
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4ccccc4Cl
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCc3cccc(CO)c3
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3ccc(cc3)B(O)O
+c1ccccc1[Si](c2ccccc2)(N3C(C(=O)OCc4ccccc4)CC3=O)C(C)(C)C
+c1ccccc1[Si](c2ccccc2)(OCC3C4CC(C(=C)C4(C)CCC3C5(C)CCC(OC(C)=O)CC5COC(C)=O)OC(C)=O)C(C)(C)C
+c1cccn1-c2c(cccc2)C=O
+c1cccn1-c2cc(c(Cl)cc2)C(O)=O
+c1cccn2c(-c3cc(F)ncc3)c(C(=O)OCC)nc12
+c1cccn2c(c(C(=O)O)nc12)CCC
+c1cccn2c(cnc12)C(=O)O
+c1cccnc1-c2cc(cc(-c3ccccn3)n2)O
+c1cccnc1-c2csc(n2)-c3ccc(c(OCC)c3)OCC
+c1cccnc1OC(Oc2ccccn2)=S
+c1cccnc1[Zn+]
+c1ccco1
+c1cccs1
+c1ccn(c1)-c2c(Cl)cccn2
+c1ccnc2C(N)CCC(c3c(c(ccc3)F)F)C(N=[N+]=[N-])c12
+c1cnc(Cl)c(n1)CN
+c1cnc(c2cccc(C)c12)O
+c1cnc2n1nc(Cl)cc2Nc3nc(ccc3)F
+c1cncc2c1CNCC2
+c1cncc2cccc(O)c12
+c1cncc2nc(nc(Cl)c12)Cl
+c1cnccc1-c2c(F)cccc2F
+c1cnccc1-c2ccnc3c2cc(cc3)Br
+c1cnccc1-c2nc(NC(C)(C)c3ccccc3)nc(Cl)c2-c4ccc(cc4)F
+c1cnccc1-c2nc(O)c(C(=O)OCC)cn2
+c1cnccc1-c2nn(cc2Br)CC
+c1cnccc1-n2cc(c3c2cc(cc3)-c4cccc(c4)[N+]([O-])=O)Br
+c1cnccc1B(O)O
+c1cnccc1Br
+c1cnccc1C#N
+c1cnccc1C(=NO)Cc2nc(ccc2)Cl
+c1cnccc1C(Cl)=O
+c1cnccc1C(c2c3cc(ccc3[nH]c2)F)O
+c1cnccc1C2OC2
+c1cnccc1C=O
+c1cnccc1CBr
+c1cnccc1CN
+c1cnccc1Cl
+c1cnccc1N
+c1cnccc1N(C)C
+c1cnccc1N2CCC(CC2)C(=O)O
+c1cnccc1N=C(SC)NC#N
+c1cnccc1O
+c1cnccc1S
+c1cnn(n1)-c2c(C(=O)O)ccc(OC)c2
+c1cnn(n1)CCO
+c1csc(c1)C(c2sccc2)(C(=O)OC)O
+c1n(C)c2c(c1C(C(OC)=O)=O)cccc2
+c1n(CC=C)cc(CC(N)C(=O)O)n1
+c1n(CCN)cc(C)n1
+c1n(c(Br)nc1C)-c2c(c(OC)cc(O)c2)[N+]([O-])=O
+c1n(c(nc1)Sc2ccc(N)cc2Cl)C
+c1n2C(Nc3n(cnc3-c2nn1)C4CCCCO4)=O
+c1n2c(cc(c1)Br)nc(n2)Br
+c1n2c(n(-c3c(C)ccc(N)c3)c1)cc(-c4cnccc4)n2
+c1n2c(nc1)cc(-c3cc(ncc3)O)cn2
+c1n2nc(ccc2nc1)Br
+c1n2nc(ccc2nc1)C(=O)OC
+c1n2nccc2nc(Cl)c1
+c1nc(C#N)cnc1Br
+c1nc(C(N)=S)c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C
+c1nc(C(NO)=N)c2n1-c3cccc(Cl)c3C(N4C2CCC4)=O
+c1nc(C)ccc1C(=O)OC
+c1nc(Cl)nn1-c2ccc([N+]([O-])=O)cc2O
+c1nc(N)nnc1Br
+c1nc([nH]c1)C(c2[nH]ccn2)=O
+c1nc(c(C)c(OC)c1)CSc2nc3ccccc3[nH]2
+c1nc(c([N+]([O-])=O)cc1[N+]([O-])=O)Cl
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)C(=O)N
+c1nc(c2N=NN(CC(OCC)=O)C(=O)n12)C(=O)N
+c1nc(c2n1-c3ccc(cc3C(NC2)=O)F)C(=O)OCC
+c1nc(ccc1C#N)Br
+c1nc(ccc1C(=O)OC)Br
+c1nc(ccc1C)C(=O)O
+c1nc(ccc1C)Cl
+c1nc(ccc1C)N
+c1nc(n(C)n1)CO
+c1nc(nc(c1F)-c2n(C)c(C)nc2)Cl
+c1nc(ncc1)-c2ccc(nc2C#N)C
+c1nc(ncc1)CCl
+c1nc(ncc1)N2CCC(CC2)O
+c1nc(ncc1)N2CCNCC2
+c1nc(ncc1-c2ccc(cc2)Br)CCCCCCCC
+c1nc(ncc1-c2nc(COC3CCN(CC3)C(OC(C)C)=O)on2)OC
+c1nc(ncc1Br)-n2c3c(ccc(C(=O)OC)c3)c(c2)SC
+c1nc(ncc1Br)N
+c1nc(ncc1C(=O)O)Cl
+c1nc(ncc1C(=O)OC)Cl
+c1nc(ncc1C(N)C)C
+c1nc(ncc1C)CC#N
+c1nc(ncc1C=O)OC2CCN(CC2)C3CCC3
+c1nc(ncc1CC#N)C
+c1nc(ncc1Cl)Cl
+c1nc(ncc1Cl)N2CCC(CC2)C3CC3CCO
+c1nc(ncc1F)C(C)N
+c1nc(ncc1F)Cl
+c1nc(ncc1O)-c2cccc(C(O)=O)c2
+c1nc(ncc1OCC)Cl
+c1nc(ncc1[N+]([O-])=O)Cl
+c1nc2c(C(N(C(=O)N2C)C)=O)n1C(C)C(=O)OC
+c1nc2c(C(NC(=O)N2C)=O)n1C
+c1nc2c(cc1N)cccc2
+c1nc2n(CCNC2)n1
+c1ncc(-c2cc(Cl)c(C3=Cc4c(N(C3=O)CC)nc(Cl)nc4)cc2)nc1C
+c1ncc(Br)n1C
+c1ncc(CCN)n1C
+c1ncc(Cl)nc1C
+c1ncc(c(Cl)n1)C#N
+c1ncc(c(Cl)n1)F
+c1nccc(C)n1
+c1nccc(Cl)n1
+c1nccc(n1)C=2NC(=S)N(C(C=2)=O)C
+c1nccn1C(n2cncc2)=S
+c1ncncc1C(=O)C
+c1ncncc1Cn2c3ncc(F)cc3c(C(N)=N)n2
+c1ncncc1O
+c1ncncc1Oc2cc(C)nc(C#N)c2
+n1(C)c(nc2cc([N+]([O-])=O)ccc12)N
+n1(C)ncc(-c2cc(Br)c(Cl)cc2)c1
+n1(C)ncc(-c2nc(Cl)cc(C#N)c2C(=O)OC)c1
+n1(C)ncc(c1)C#C
+n1(CCO)cnc2cccc(c12)F
+n1(c(-c2c(cc(cc2)Br)[N+]([O-])=O)c(cn1)C(=O)OCC)C3COCC3
+n1(c(-c2ccc(cc2F)Br)c(cn1)C(=O)OCC)C3COCC3
+n1(c(CO)nc2ccccc12)CF
+n1(c(c(N)c(n1)C(=O)N)CC)Cc2ncccc2
+n1(c(cc(C)n1)C)-c2nc(cc(n2)Cl)N
+n1(c2c(N(CCCCC)C(NC2=O)=O)nc1Cl)CC=C
+n1(c2c(ccs2)cc1C(=O)NC)C
+n1(cc(cn1)N2N=C(C(C=C2)=O)CCl)C
+n1(ccnc1)C
+n1(ccnc1)C(n2ccnc2)=O
+n1(ncc2c1cncc2Br)CCO
+n1(nccc1)C(=N)N
+n1(ncnc1)CCl
+n1(nnnc1)-c2ccc(cn2)C(=O)OC
+n12C(=S)Nc3c(cccc3)-c1cc(C(=O)O)n2
+n12CCNC(c1c(c3cc(cc(Br)c23)F)C)=O
+n12CCNCc1ccc2
+n12c(C)nnc1c(N)cc(c2)C(=O)OC
+n12c(c(Br)cn1)cc(cc2)C(=O)O
+n12c(ccc1CCCO)c(ncn2)N
+n12c(cnc(Br)c1ncn2)Br
+n12c(ncc1)c(Cl)ncc2
+n12c(nnc1Cl)ccc(c2)F
+n12ccccc1c(cn2)-c3ccnc(Cl)n3
+n12ccnc1c(nc(Br)c2)Br
+n12nc(CC)c([N+]([O-])=O)c1c(ccc2Br)OC
+n1[nH]c(c2c1cccc2)C(=O)O
+n1[nH]c(c2c1cccc2F)I
+n1[nH]c2ccc(O)cc2c1CC(C)N
+n1[nH]cc(Br)c1
+n1[nH]cc(c1)[N+](=O)[O-]
+n1[nH]ccc1
+n1c(-c2occc2)nn3c(cc(nc13)Cl)N
+n1c(Br)c(C)cc(Br)c1
+n1c(Br)c(N)c(Br)cc1CC
+n1c(Br)cc(-c2c(-c3ncccc3)n[nH]c2)cc1
+n1c(Br)cc(C(=O)O)n1-c2ncccc2Cl
+n1c(Br)ccc2ccccc12
+n1c(Br)cn2cc(OC)ccc12
+n1c(Br)sc2cc(ccc12)C(=O)OCC
+n1c(C#CC(C)O)nc2c(c1Cl)ncn2C
+n1c(C(=O)OC)c(OC)nc(c1)N
+n1c(C(=O)OCC)csc1-c2c(cc(C)cc2)[N+]([O-])=O
+n1c(C(CC)N)c(nc(-c2cc([N+]([O-])=O)ccc2)n1)O
+n1c(C(OC)=O)c(nn1-c2ccccc2)C(OC)=O
+n1c(C)c(c(nc1NCCCc2c3c([nH]nc3)ccc2)C)C(=O)NC(CN)C(=O)OC
+n1c(C)cc(N)n1CC
+n1c(C)cc(nc1N)C
+n1c(C)cc(nc1O)C
+n1c(C)cc(nc1S)C
+n1c(C)ccc(C)c1C#N
+n1c(C)ccc(F)c1Br
+n1c(C=O)n(cc1)C
+n1c(CCC)nc(O)cc1CC
+n1c(CCl)cc2c(c1)cccc2
+n1c(CO)cccc1F
+n1c(COC(CCCCC)=O)nc(cc1)OC
+n1c(Cl)c(Cl)nc2ncc(cc12)Cl
+n1c(Cl)c(c(CC)nc1)I
+n1c(Cl)c(c(nc1)Cl)-c2ccc(cc2)C
+n1c(Cl)c(c(nc1)Cl)-c2ccc(cc2)OC
+n1c(Cl)c(c(nc1)Cl)-c2nc(on2)C
+n1c(Cl)c(c(nc1)Cl)N
+n1c(Cl)c(c(nc1)Cl)[N+]([O-])=O
+n1c(Cl)c(c(nc1C)Cl)C
+n1c(Cl)c(c(nc1C)Cl)N
+n1c(Cl)c(c(nc1Cl)Cl)Oc2ccccc2OC
+n1c(Cl)c(c(nc1N)Cl)NC=O
+n1c(Cl)c(c(nc1SC)Cl)C#N
+n1c(Cl)cc(nc1)Cl
+n1c(Cl)cc(nc1-c2ccccc2)Cl
+n1c(Cl)cc(nc1COC)Cl
+n1c(Cl)cc(nc1SC)Cl
+n1c(Cl)cc(nc1SCc2c(c(F)ccc2)F)Cl
+n1c(Cl)ccnc1Cl
+n1c(Cl)cnc(C(=O)OC)c1
+n1c(Cl)nc(nc1-c2ccccc2)Cl
+n1c(Cl)nc2ccccc2c1Cl
+n1c(F)c(F)ccc1F
+n1c(F)cc2cc(ccc2c1)C(=O)OC
+n1c(N)[nH]cn1
+n1c(N)cccn1
+n1c(N)ccn1C
+n1c(N)ccn1CC
+n1c(N)nc(Cl)cc1N
+n1c(N)nc(nc1C)N
+n1c(N)nnc(c1O)CN
+n1c(N)scn1
+n1c(NC)nc(cc1)-c2cccnc2Cl
+n1c(NN)cccc1
+n1c(Nc2cc(Cl)nc(C)n2)sc(c1)C(=O)Nc3c(C)cccc3Cl
+n1c(Nc2cc([nH]n2)OC)c(Cl)cnc1Cl
+n1c(O)cc(Cl)cn1
+n1c(O)cccc1
+n1c(O)cccn1
+n1c(OC)c(OC)nc2c1c(I)c(Cl)c(Cl)c2
+n1c(OC)cc(nc1N(C(O)=O)c2ccccc2)OC
+n1c(OC)cc(nc1S(=O)(=O)C)OC
+n1c(OC)ccc(-c2c(nc(N)nc2-c3cc(F)ccc3)O)c1
+n1c(OC)ccc(C(O)C(C)N)c1
+n1c(OC)ccc(CN)c1
+n1c(OC)ccc(N)c1
+n1c(OC)ccc(NN)c1
+n1c(OC)ccc(c1)C(Cl)=O
+n1c(OC)nc(nc1N)OC
+n1c(Oc2c(cccc2)C)c(C(OCC)=O)cnc1SC
+n1c(SC)nc(cc1Cl)-n2c(C)nc(n2)C
+n1c(SC)ncc2c(nccc12)O
+n1c(SCC2=C(C(=O)O)N3C(C(C3SC2)N)=O)scn1
+n1c(c(C(=O)O)cn1CC)C
+n1c(c(Cl)nc(Cl)c1)C#N
+n1c(c(c(I)c(C)c1)C)F
+n1c(c(ccc1)OC)-c2cc(N)cc(c2)C(=O)OC
+n1c(c(ncc1)C#N)Cl
+n1c(c2c(C3C(C2)C3)n1-c4nccc(Br)c4)C(OCC)=O
+n1c(c2c(cccc2)c(n1)O)Cc3ccc(F)c(C(=O)O)c3
+n1c(c2c(nc1NCc3ccc(c(Cl)c3)Cl)ncn2CCCCOC(=O)C)O
+n1c(cc(-c2c(-c3nc(ncc3)SC)c4ccccn4n2)cc1)F
+n1c(cc(CC(c2nc(ccc2)C)=O)cc1)Br
+n1c(cc(Cl)[nH]1)Cl
+n1c(ccc(C)n1)N
+n1c(ccc([N+]([O-])=O)c1Br)Br
+n1c(ccc(c1)C#N)N
+n1c(ccc(c1)C(=O)OC)N
+n1c(ccc(c1)F)F
+n1c(ccc2c1c(ccc2)O)N
+n1c(ccc2c1ccc([N+]([O-])=O)c2)NC3CCc4ccccc34
+n1c(ccc2c1cccc2)C(=O)O
+n1c(cccc1)-c2c(N)n[nH]c2
+n1c(cccc1OC)Br
+n1c(cccc1OCCO)N
+n1c(cnc(C#N)c1)N
+n1c(cnc(C(=O)OC)c1)N
+n1c(n(CC(OCC)=O)cc1)CCC(=O)O
+n1c(n2nc(-c3occc3)nc2c4ccn(CCO)c14)N
+n1c(nc(N)c(O)c1CC)N
+n1c(nc(N)nc1C#N)O
+n1c(nc(cc1Nc2ncc(C#N)s2)C(=O)OC)Cl
+n1c(nc(nc1F)F)F
+n1c(nc2c([nH]cc2)c1O)N
+n1c(nc2c(c(OC)cc(OC)c2)c1O)-c3c(cccn3)F
+n1c(nc2ccc(OC)cc2c1Cl)C=Cc3ncccc3
+n1c(ncc(C)c1C#Cc2c(CC(OC)=O)cccc2)Cl
+n1c(ncc(CC(O)=O)c1OC)OC
+n1c(sc(-c2occc2)c1)Cc3c(Cl)ccc(C4C(C(C(C(CO)O4)O)O)O)c3
+n1c(sc(C=O)c1Cl)Cl
+n1c(scc1C(=O)OCC)-c2cc3c(cc2)CCN3
+n1c2c([nH]c1CC#N)cccc2
+n1c2c([nH]cc2)c(O)nc1CCCC
+n1c2c(c(O)nc1CCCC)cc(cc2)CBr
+n1c2c(c(nc1-c3nccnc3)O)cc([N+]([O-])=O)cc2
+n1c2c(c(nc1N)N)nc(nn2)CCl
+n1c2c(cc(F)c(F)c2)[nH]c1
+n1c2c(ccc(NC(C)=O)c2)n(CC)c1Cn3ccnc3-c4cc(ccc4F)F
+n1c2c(ccc(c2)O)ccc1
+n1c2c(ccc1)cc([N+]([O-])=O)cc2
+n1c2c(ccc1)cc(cc2)CC#N
+n1c2c(ccc1Cl)cccc2
+n1c2c(n(CCCCO)c1)cccc2
+n1c2cc(c(F)cc2c(CO)cc1O)F
+n1c2cc(c(OC)cc2c(cc1)Cl)OC
+n1c2cc(cc(C#N)c2c[nH]1)Br
+n1c2ccc(cc2c(cc1CC)O)F
+n1c2ccc(nc2ccc1)C
+n1c2ccccc2c3c(cccc3)c1C
+n1c2cccnc2n(O)n1
+n1c2n(c(c1)[N+]([O-])=O)nc(cc2)Cl
+n1c[nH]c(CO)c1
+n1c[nH]c(c1)[N+](=O)[O-]
+n1c[nH]cc1
+n1cc(-c2ncccc2)oc1
+n1cc(Br)nc(c1Br)N
+n1cc(Br)ncc1N
+n1cc(C#N)cc(OC)c1
+n1cc(C(=C)C)ccc1F
+n1cc(C(=O)O)ccc1OCCCC
+n1cc(C(Cl)=O)ccc1F
+n1cc(C)cc(F)c1
+n1cc(C)ccc1F
+n1cc(C)ncc1N
+n1cc(CN)cc(F)c1
+n1cc(Cl)nc(NC(NCC)=O)c1
+n1cc(I)cc(F)c1
+n1cc(I)ncc1
+n1cc(N)cc(C#N)c1
+n1cc(N)cc(C)c1
+n1cc(N)cc(F)c1
+n1cc(N)cc(c1)C#C
+n1cc(c(N)cc1Cl)N
+n1cc(cc(C#N)c1)CCl
+n1cc(cc(N)c1)Br
+n1cc(cc(c1)O)Br
+n1cc(ccc1OCC(OC)=O)C(=O)C
+n1cc(cnc1)-c2cc(Cl)nc3c2CCCC3
+n1cc(cnc1)Br
+n1cc(cnc1)C(O)=O
+n1cc(cnc1)CCC(=O)OCC
+n1cc(cnc1)NN
+n1cc(cnc1Br)Br
+n1cc(cnc1C#N)C
+n1cc(cnc1CCC(O)=O)-c2ccc(c(OC)c2)OC
+n1cc(cnc1Cl)Br
+n1cc(cnc1Cl)C
+n1cc(cnc1Cl)CCC
+n1cc(cnc1Cl)O
+n1cc(cnc1Cl)OCc2ccccc2
+n1cc(cnc1F)Br
+n1cc(cnc1N)C#N
+n1cc(cnc1N)OC
+n1cc(cnc1O)Cl
+n1cc(cnc1OC)CC=2C(=O)NC(NC=2)=S
+n1cc(cnc1Oc2ccccc2)C(=O)C
+n1cc(n2c1ccc(Cl)n2)Br
+n1cc(ncc1N)CC#N
+n1cc2C(N)CCCc2c(Br)c1
+n1cc2c(nc1CCl)cccc2
+n1cc2ccc(nc2c(Br)c1)C(=O)O
+n1ccc(Br)c2cc(C#N)ccc12
+n1ccc(c2ccc(cc12)O)-c3c4n(nc3-c5ncccc5)CCC4
+n1ccc(cc1O)O
+n1ccc2C(CCCc2c1)=O
+n1cccc(-n2nc(Cl)cc2)c1
+n1cccc(O)c1O
+n1cccc(Oc2cc(ccc2)F)c1
+n1cccc2CCCC(=O)c12
+n1cccc2c(Cl)nc(nc12)Cl
+n1cccc2c(cccc12)O
+n1cccc2c(nccc12)O
+n1cccc2c1cc(Cl)nc2Cl
+n1ccccc1Br
+n1cccn1CCCN
+n1cccnc1Br
+n1cccnc1C=O
+n1cccnc1CN
+n1cccnc1Cl
+n1cccnc1NN
+n1cccnc1Oc2ccc(cc2)C=O
+n1ccn(c1C)-c2cccc(N)c2
+n1ccn(c1CN)C
+n1ccn2cnnc2c1
+n1ccnc(c1)N
+n1ccnn1-c2c(C(O)=O)cccc2
+n1cnc(c(C#N)c1Cl)N
+n1cnc(c(c1Cl)Br)N
+n1cnc2ccn(C)c2c1Cl
+n1cnn(c1)C(n2ncnc2)=O
+n1coc2ccccc12
+n1n(-c2cc(C)ccc2C)c(SCC(=O)O)nn1
+n1n(-c2ccc(nc2)F)ccn1
+n1n(-c2cnc(cn2)C(=O)O)cnc1
+n1n(-c2ncccc2C(=O)OCC)ccc1C=O
+n1n(C)c(C(=O)O)cc1C
+n1n(C)c(C)cc1C(=O)N
+n1n(C)c(CNC)cc1[N+](=O)[O-]
+n1n(C)c(c(N)c1CCC)C(=O)N
+n1n(C)c(cc1Br)C=O
+n1n(C)ccc1CN
+n1n(C)ccc1I
+n1n(CCC#C)ccn1
+n1n(c(C(N)=O)c(NC(c2ccccc2OCCC)=O)c1CCC)C
+n1n(c(N)cc1C)C
+n1n(c2c(ccc(c2)O)c1)CC(C)N
+n1n(c2ccccc2n1)O
+n1n(ccn1)CCCCc2ccc(cc2C)O
+n1n(ccn1)CCO
+n1n(cnc1)-c2cc(C#N)c(N)c(C)c2
+n1n2CCOCc2cc1C(OCC)=O
+n1n2CCOCc2cc1[N+](=O)[O-]
+n1n2c(c(Br)cc1Cl)ncc2C(=O)O
+n1n2c(cc(Br)cc2)nc1N
+n1n[nH]cc1CCN
+n1nc(Cl)c(C)cc1N
+n1nc(ccc1F)N
+n1nc(ccc1N)Cl
+n1nc(ncc1-c2ccccc2F)O
+n1nc[nH]c1
+n1nc[nH]c1-c2c(N)scc2Br
+n1nc[nH]c1-c2c(N)scc2Cl
+n1nc[nH]c1Br
+n1ncc(O)cc1Cl
+n1ncccc1
+n1nn(CCN)cc1C(=O)OC
+n1nn2c3ccccc3c(c(c2n1)[N+](=O)[O-])O
+n1nn[nH]c1C
+n1nn[nH]c1N
+n1onc2cc(ccc12)C(=O)O
+n1snc2c1cc(cc2)OC
+o1c(C(=O)C)c(c2c1cccc2O)C
+o1c(C)cnc1-c2c(N)n[nH]c2
+o1c(CN)c(C(OCC)=O)nc1C
+o1c2c(c(O)ncc2Br)cc1C=O
+o1cc(nc1COC(C)=O)C(=O)OC
+o1nc(cc1-c2cc(ccc2)C(=O)OCC)C
+s1c(C#N)ccc1CNC(=O)CN
+s1c(C)ccc1C(=O)O
+s1c(ccc1C(Cl)=O)Cl
+s1c(nc(Cl)c1)Cl
+s1c2c(nccc2Cl)cc1-c3cn(cn3)CCC
+s1c2c(nccc2Cl)cc1-c3sccn3
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ccc(C=O)cn4
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ncc(n4C)C=O
+s1c2cc(C(NC)=O)ccc2cc1-c3nc(Cl)ncc3C
+s1ccc(Br)c1
+s1ccc(C)c1
+s1ccc(CO)c1
+s1ccnc1
+s1ccnc1-c2[nH]ccn2
+s1ccnc1-c2cc(ncc2Cl)Cl
+s1cnc(-c2cc(Br)cnc2Cl)c1-c3c(c(Cl)ccc3)Cl
+s1cnc2cc(cc(OC(C3CC(=O)NC3)C)c12)O
diff --git a/releases/n1-n5-composites-inchi-v1/payload/stock/n1_targets.smi b/releases/n1-n5-composites-inchi-v1/payload/stock/n1_targets.smi
new file mode 100644
index 0000000000000000000000000000000000000000..f61c0d340f795ec00f7e1aa249b5e2b05e586813
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/stock/n1_targets.smi
@@ -0,0 +1,9999 @@
+BrC=1c2n[nH]c(c2C(N(c3c(cccc3)C)C=1)=O)N
+Brc1c(cccc1)CN2C(=NC=C(F)C2=O)Cl
+Brc1cc(CCC#N)c(CCCO)s1
+Brc1cc(cc(Br)c1)CC#N
+Brc1ccc(cn1)C(=O)Nc2ncc(C(Nc3ncc(cc3)Br)=O)cc2
+Brc1sc(SCCCNC(C)=O)cc1
+C(#CC(=O)Nc1cc2c(ncnc2cc1)Nc3cc(ccc3)Br)C(C)(CCOC)N
+C(#CCCCCC)C(C1C(CCCCCCC(=O)O)C(OC2CCCCO2)CC1)OC(=O)C
+C(#N)C(C#N)=C(N1CCC(CC1)CN2CCCCC2)NCCN3CCCC3C
+C(#N)CCN(CCC#N)c1ccc(cc1)N=Nc2cc(S(=O)(=O)F)c(Cl)cc2
+C(#N)c1c(cccc1)-c2cc(ccc2)NC3=C(C(=O)N(C)C=C3)N
+C(#N)c1c(cccc1)-c2nc(c(C(OC)=O)cc2)NCCc3cccc(F)c3
+C(#N)c1c(nc(c(c1C2OCCCC2)C#N)C)S
+C(=C(C(=O)O)OC)c1cc(c(cc1)-c2cc(ccc2)N(C(=O)NCCCCCCC)C)OCCCC
+C(=C)CCCn1c2c(cccc2C=C)cc1
+C(=CCCC(=O)NCCNC(CNC)=O)CC=CCC=CCC=CCC=CCC=CCC
+C(=NC(=O)c1c(F)c(c(c(c1)F)F)OCF)=O
+C(=NO)(C)c1c(C)cc(OC)c(C)c1
+C(=O)(C(C)Cc1cc2cc(ccc2[nH]1)OCCCNc3ncccc3)O
+C(=O)(C)c1cc2CCC(C)(Oc2c(CCC)c1OCCCOc3ccc(C(=O)C)c(O)c3CCC)CCC(O)=O
+C(=O)(CN1C(=O)C(N)CCc2ccc(OC)cc12)O
+C(=O)(Cc1ccc(c(c1)OC)Oc2ccc3c(cccn3)c2N)OCC
+C(=O)(Cc1cccc(NC(=O)c2cccc(-c3cc(ccc3)F)n2)c1)OCC
+C(=O)(N(C1Cc2cc(N)ccc2OC1)CCC)CC
+C(=O)(O)C=Cc1cc2c(nccc2)cc1[N+]([O-])=O
+C(=O)(OC)C(C)c1cc(F)c(cc1F)CBr
+C(=O)(c1cnn(-c2[nH]c3cc(c(Cl)cc3n2)Sc4cc(C)ccc4)c1)O
+C(=O)(c1n(-c2c(Cl)cccn2)nc(Cl)c1)Nc3c(cc(cc3C(=O)NC)Cl)C
+C(=O)c1c(cccc1)-c2cscc2
+C(Br)(C(c1ccc2occc2c1)=O)C
+C(Br)C(=O)c1c(ccc(c1)C(=O)OC)O
+C(Br)C(OC)CSCCCCCCCCCCCCCCCC
+C(Br)CCCCOCCCCBr
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+C(C#CCCCCCCCC#C)CCCO
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+C(C(=O)c1c(sc2c1cccc2)-c3ccc4c(c3)ccc(OCC(=O)O)c4Br)CCC
+C(C(C)(CCO)O)CCCCC
+C(C(C=O)CC)Sc1ccccc1OC
+C(C(CCCCCCCCC)=O)C(=O)OCC
+C(C(CCc1ccc(F)c(F)c1F)O)CCC
+C(C(Cl)Cc1cc(ccc1OC)F)=O
+C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(O)cc4c(C(=O)C)c3
+C(C(NC(=O)CCCCCCCCCCCCCCC(O)=O)CCN=[N+]=[N-])(=O)O
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+C(C(OC(=O)C(C)=C)C)C1OC1
+C(C(c1cc(C)c(cc1)OC)=O)CC(OCC)=O
+C(C(c1ccc(c(c1)O)F)=O)CC(=O)O
+C(C)(CCCC(C)CCC)(C=C)O
+C(C)(Cl)c1cccc(Sc2c(F)cccc2)c1OC
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+C(C)(NCC1(CCC2CCC1C2)NC(C)=O)=O
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+C(C)(c1c(n(Cc2ccccc2Cl)c3cc(ccc13)C(=O)N)CCC)=NO
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+C(C)C(=NOC)c1cc(c(O)c(c1)CN)Br
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+C(C)C(CC)Nc1c(nccc1)N2CCN(CC2)C(OCc3ccccc3)=O
+C(C)C(CC)Nc1nc(c(-c2cc3c(cc2OC)CCC3)nc1CC)CC
+C(C)C(CC)c1c2nc(C)c(-c3sc(cc3Cl)-c4nc(ccc4)C)n2nc(C)c1
+C(C)C=CCC=CCC=CCC=CCC=CCCCCOC(CC)C(NCCN)=O
+C(C)CCCCC(CCCCCC)=CC=O
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+C(C)N(CC)C(=O)C1Sc2ccccc2-c3n(c4c(cc(OC)cc4)c13)CCF
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+C(C)N(CC)C(C(C#N)=Cc1cc(c(c(OC)c1)O)[N+]([O-])=O)=O
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+C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O
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+C(C)N(CC)CC=Cc1cc(ccc1S(=O)(=O)Nc2c(C(=O)O)c3ccn4c(c3cc2)ccn4)F
+C(C)N(CC)CC=Cc1cc(ccc1S(=O)(=O)Nc2ccc3c(c2C(O)=O)cc4CCCn34)F
+C(C)N(CC)CCC1(C=CCC=C1)c2ccccc2
+C(C)N(CC)CCCCOc1ccc(cc1)C(=O)c2c3ccccc3oc2-c4ccccc4
+C(C)N(CC)CCCN1c2c(cccc2)Oc3ccccc13
+C(C)N(CC)CCOc1c(CC(=O)OCc2ccccc2)cccc1
+C(C)N(CC)CCOc1c2c3c(c(ccc3)C)n(Cc4ccc(cc4)F)c2ccc1
+C(C)N(CC)Cc1c(C(O)C)c(c2cc(OC)c(cc2n1)OC)-c3ccc(OC)c(OC)c3
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+C(C)OC(=O)N1CCC(CCC1)N=C=S
+C(C)OC(=O)c1ccc(N)cc1F
+C(C)OC(C=1C(c2c(ccc(C(=O)c3c(c(OC)c4ccccn34)C)c2)N(C)C=1)=O)=O
+C(C)OC(N1Cc2c3c(c(N)ccc3)n(C)c2CC1)=O
+C(C)OC(c1c(COC)c2n(c1)ncc(C#N)c2Cl)=O
+C(C)OC(c1c(O)c2c(c(C)cc(OC)c2)nc1)=O
+C(C)OC(c1nc2c(nccc2)n1-c3ccc(c(F)c3)C#N)=O
+C(C)OC(c1nc2n(cc(-c3[nH]nnc3)cc2)c1)=O
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3
+C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(ncnc2cn1)Nc3ccc(c(Br)c3)F
+C(C)OP(OCC)(=O)COCCCOn1c2c(nc1)c(N)nc(N)n2
+C(C)Oc1cc(cc(OCC)c1-c2ccc(cc2)F)CN3CCC4(CC3)CC(=O)N(c5ccc(cc5)C#N)C4
+C(C)[Si](CC)(CC)OC(CN(Cc1ccccc1)CCOCc2ccccc2)c3cc([N+](=O)[O-])ccc3
+C(C)[Si](CC)(CC)OC(c1ccc(c(NS(=O)(=O)C)c1)OCc2ccccc2)CI
+C(C)c1c(cc(c(O)c1)Oc2c(cc(C(N3CC(=O)NCC3)=O)cc2)F)F
+C(C)c1cc(cc(CC)c1-c2cc(COc3ccc4c(OCC4CC(O)=O)c3)ccc2)OCCCS(=O)(=O)C
+C(C)c1cccc(CC)c1C(=O)Nc2sc(nn2)C(CC)(CC)C
+C(C1=C(N2C(=O)C(NC(=O)Cc3c(cccc3)CN)C2SC1)C(O)=O)(Sc4nnn[nH]4)CC(=O)O
+C(C1CC1c2ncc(OC)cc2)Oc3c(-c4c[nH]nc4)cnc(n3)C
+C(C1CCCCN1)c2nc3ccccc3o2
+C(C1Oc2c(CC1)cc(cc2)F)(O)CN
+C(C=C)C(CC=C)OCCCCCCCCCCOc1ccc(cc1)C(=O)O
+C(C=CCC=CCCCCC)C=CCC=CCCCCN
+C(C=Cc1ccc(-n2ncnc2)c(F)c1)=O
+C(C=O)#CCCCCCl
+C(CC(=O)NOC1OCCCC1)C(OC)c2cc(C)c(F)cc2
+C(CC(=O)O)C(c1cccc2OCOc12)CCCCC
+C(CC(=O)O)c1c(Cl)c(C(N)=O)c(cc1Cl)Cl
+C(CC(C(=O)OC)N)SC
+C(CC(CCCC)CBr)CC
+C(CC(NCCC)CC(=O)N)CCCCCCCCCCC
+C(CC(NCCCN1CCCC1=O)=O)C(N2CCCC2CO)=O
+C(CC)(CC(C(N)=O)=O)C([N+]([O-])=O)C
+C(CC)N(CCC)C1Cc2cc(ccc2C1)C=O
+C(CC)N(CCC)CCC(=O)NCCO
+C(CC)N(CCC)CCCCN(C=O)Cc1ccc(cc1)CN(Cc2n(C)ccn2)Cc3[nH]ccn3
+C(CC)N(CCC)CCCCN(Cc1ccc[nH]1)Cc2ccc(cc2)C#N
+C(CC)N(CCC)CCCCc1c(OCCc2ccccc2)ccc(c1)Cl
+C(CC)N1C(C(N)=C(N)NC1=O)=O
+C(CC1(CC2c3ccccc3C1CC2)O)O
+C(CC1CCc2cc(ccc2O1)NC(OCC)=O)C#N
+C(CC=O)CC(=CCc1c(OC)c(c(c(OC)c1C)C)C)C
+C(CCC)(c1c(c2c(nc1)c(OCCOC)ccc2)Nc3ccc(cc3C)F)=O
+C(CCC)(c1c(c2cccc(C(=O)C)c2nc1)Nc3ccc(cc3C)O)=O
+C(CCC)N(CCCC)c1ccc(cc1)C#C
+C(CCC)[Sn](CCCC)(CCCC)c1ccc(C(ON2C(=O)CCC2=O)=O)c(Cl)c1
+C(CCC)c1nc(nn1Cc2ccc(Br)nc2)CCCC
+C(CCC=CCCC(=O)c1occc1)(OC)=O
+C(CCCC)CCOc1ccc2c(ncc(C(C)=O)c2)c1
+C(CCCC)CCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2
+C(CCCC=CCN1C(=O)CCCC1C=CC(=O)CCCCC)(OC)=O
+C(CCCCBr)(NCCCCCBr)=O
+C(CCCCBr)SCC(=O)N(C)CCCC
+C(CCCCC(NC)=O)CCCCCCn1c(nc2c(N)nc3ccccc3c12)CCC
+C(CCCCC)CCC=CCCCCCCCC(NCCN=[N+]=[N-])=O
+C(CCCCC)CCc1cc2c(cc1)-c3ccc(-c4nnc(CCCCCC)s4)cc3C2
+C(CCCCC)Oc1c(F)c(-c2ncccc2)ccc1F
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+C(CCCCCCC(=O)OCCCCCC)C=CCCCCCCCC
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+C(CCCCCCCCC)CCCCCCOCC(CF)CO
+C(CCCCCCCCC=O)CCCCCCOCOC
+C(CCCCCCCCCC)CCCCCCCN(CCCCCCCCCCCCCCCCCC)C(CO)=O
+C(CCCCCCCCCCCCBr)CCCCOC(C)=O
+C(CCCCCCCCCCCCCCC(O)=O)CN
+C(CCCCCCCCCCCCCCCCCCCC(=O)O)CC=1C(=O)C(OC)=C(OC)C(=O)C=1C
+C(CCCCCCCCCCN1C(=S)NN=N1)(=O)O
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+C(CCCCCCCCCCNc1sc(cc1)C(=O)O)CCCCC
+C(CCCCCCCCCCSC)(=O)O
+C(CCCCCCCOC1OCCCC1)CCCl
+C(CCCCN1C(=O)N(C)C=C(C1=O)C)(OC(C)=O)CBr
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+C(CCCCc1sc(C(Oc2c(C#N)c(c(cc2)OCCCCCCCC)C#N)=O)cc1)CCCCCCC
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+C(CCCN1CCCc2cccc(O)c12)CCCCCC
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+C(CCCOCCCOCCCCCCCCCCCCCCCCCC)O
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+C(CCOCC=1CC=1)CCC
+C(CCOCCCc1ccc(cn1)[N+]([O-])=O)CCCBr
+C(CCS(C)=O)(C(=O)NCCCCCCCC)O
+C(CCSC)N(CCC)C1CCc2c(C1)cccc2O
+C(CC[Sn](CCCC)(CCCC)C=CCC(C)(CCOC)O[Si](C)(C)C)C
+C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC
+C(CCc1c(OC)c2ccccc2c(c1)OC)CO
+C(CN(CCC)Cc1nc(sc1)-c2ncn3-c4c(c(c(cc4)F)Cl)C(N(Cc23)C)=O)C
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+C(CNc1ccc(CC(=O)O)c(F)c1)CCCCCCCCCCCCCC
+C(CO)Cc1c(CC#N)cccc1
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+C(CO)N(CCO)c1ccc([N+]([O-])=O)cc1C(NCCOC2CCCCO2)=O
+C(COC(=O)OCI)NC(C)=O
+C(COC)(=O)Nc1cc(ccn1)Oc2c3c(c(cc2)N)cccc3
+C(COC)CCN(CCNC)c1c(-c2cccc(c2)CC)c(Cl)ccc1
+C(COC)N(CCOC)CC(=O)O
+C(COC)Oc1ccc(Nc2nc(c(F)cn2)Nc3cccc(c3)NC(=O)C=C)cc1O
+C(COCC(=O)NCCOCCOCCOCCN)(=O)O
+C(COCCN1CCN2c3ccccc3Cc4c(C2C1)cccc4)(=O)O
+C(COCCNc1n[n+]([O-])c2ccccc2n1)N=[N+]=[N-]
+C(CON=C(C(OCC)=O)C(=O)CCl)OCC
+C(COP(CCC#N)(CC)=O)O
+C(CO[N+]([O-])=O)NC(=NC#N)c1cncc(NC(C)=O)c1
+C(COc1cc(C(Nc2sc3CN(CCc3n2)C)=O)ccc1)(Nc4cccc(C#N)c4)=O
+C(COc1ccccc1NC(c2c3c([nH]cc3)ccc2)=O)CBr
+C(CS(=O)c1cccc(n1)C=2Sc3c(cccc3)C(N=2)=O)CCC
+C(CSC)N(CCSC)CC(OC)=O
+C(CSc1ccnc(CSc2nc3ccccc3[nH]2)c1C)CCSCCn4c(cnc4C)[N+]([O-])=O
+C(Cc1cc(N)ccc1Cl)(OCC)=O
+C(Cc1cc2nccnc2cc1)#N
+C(Cl)(=O)c1ccc(C#N)cc1C
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+C(Cn1c(nc2c[n+]([O-])c3ccccc3c12)CCC)CCCC(=O)N(OC)C
+C(Cn1c2c3c(cccc3)nc(N)c2nc1CCC)CCCC(=O)N
+C(Cn1c2nc(nc(Cl)c2nc1)N)C(F)CO
+C(F)C(CF)(C(=O)Cn1ncnc1)C
+C(F)C(Nc1c(OC)cc(c(O)c1)C)=O
+C(N(C)c1n[nH]c2ccc(N)cc12)C(NC)=O
+C(N(OC)C(C1=C(O)C(=O)N(C1)C)=O)c2cccc(F)c2
+C(N)(=O)Nc1sc(Br)cc1C(=O)OC
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+C(N1CCC(C(C1)N(c2c3c([nH]cc3)ncc2)C)C)(CC#N)=O
+C(N1c2c(ccc(c2)-c3nc(cs3)C(=O)O)CC1)(Nc4sc5c(cccc5)n4)=O
+C(NC(C)=O)C1CCC(C(=O)O)C1
+C(NC(C)=O)Cc1cc2c(OCO2)cc1CC#N
+C(NCCCNc1cc2OCOc2cc1)C3COc4ccccc4O3
+C(NCCCSc1ncco1)(NCC)=C[N+]([O-])=O
+C(NCCO)(c1c(Nc2c(cc(CC)cc2)F)cc(O)nc1)=O
+C(Nc1c(Cl)cc(c(OC)c1)C=O)(C=C)=O
+C(Nc1c(c(ncn1)N)C#N)c2c(cc3c(F)cccc3n2)CN(C)CC
+C(Nc1cccc(Cn2ncc3cnc(nc23)Nc4cnn(c4)C)c1)(C=C)=O
+C(Nc1cccc(Oc2c3c(F)c[nH]c3nc(Nc4ccn(C)n4)n2)c1)(C=C)=O
+C(O)(=O)C(Nc1cccc(C(=O)N)c1)c2ccc(c(CC)c2)CCOC(Nc3cccc(C#N)c3)=O
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+C(O)C(CO)(Nc1c2SC(=O)Nc2nc(SCc3c(c(F)ccc3)F)n1)C
+C(O)C(CO)COc1c(C)cc(cc1C)-c2nc(on2)-c3sc(C)c4C5C(Cc34)C5(C)C
+C(O)C(CO)Cc1ccc(cc1)-c2ccc(cc2)O
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+C(O)CN(C)c1n(C)ncc1[N+](=O)[O-]
+C(O)CN(CCO)CCCCOc1ccc(cc1)[N+]([O-])=O
+C(O)c1c(nc2ccc(cc2c1)OC)NC
+C(O)c1cc(cc(c1CBr)Br)F
+C(OC(=O)C)c1c(Br)c(C)cc(OC(=O)C)c1
+C(OC(=O)CNCc1c(N)c(C)cc(-n2ncnc2)c1)C
+C(OC(=O)Nc1ccc2C(C)=NCCc2c1)C
+C(OC(C=C)=O)CCCCCOc1cc2c(cc(cc2)C(O)=O)cc1
+C(OC(C=Cc1cnc(N)c(C(OCC)=O)c1)=O)C
+C(OC(CC(c1ccc(Br)c(C)c1F)=O)=O)C
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+C(OC(CCc1c2ccc(cc2sc1)OCCc3nc(NC)ccc3)=O)C
+C(OC(CCc1cc2c([nH]1)c(cc(C#N)c2)F)=O)C
+C(OC(CCc1ccc2c(c1)CC(CCC2)=O)=O)C
+C(OC(N(CCCC)CCCl)=O)C
+C(OC(OCC)c1ncc(C(=O)NCc2ccccn2)c(C)n1)C
+C(OC)(=O)C(C(OC)=O)(CNS(=O)(=O)c1ccc(cc1)OCC#CC)N2CCN(CC2)S(=O)(=O)C
+C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O
+C(OC)(=O)NC1(C(CC#N)C1)c2cc([N+]([O-])=O)ccc2
+C(OC)(c1ccccc1-c2ccc(CNc3nccc(c3[N+](=O)[O-])C)nc2)=O
+C(OC)CCNc1nc(Cl)cc(n1)N
+C(OC)CCNc1nccc(-c2nc3c([nH]2)ncc([N+]([O-])=O)c3)c1
+C(OC)CCOc1c(OC)ncc(c1)Br
+C(OC)CCOc1cc(CCC(OCC)=O)ccc1-c2cnccc2
+C(OC1COCC1Oc2c(OC)ccc(C(=O)O)c2)C
+C(OCC(=O)O)COCCNC(COCCOCCNC(CCCCCCCCCCCNC(=O)CI)=O)=O
+C(OCC)(=O)C(C(OCC)=O)(NC(C)=O)CCCSCCCCCCCCCCCC
+C(OCC)(=O)C(C(OCC)=O)=CNc1cnc(NCc2ccccc2)cc1
+C(OCC)(=O)C1CCCN(CCC2COc3c(cccc3)O2)C1
+C(OCCCl)CC(Nc1ccc(cc1C)C(=O)OC)=O
+C(OCCN1Cc2ccc(OCc3cccc(F)c3)cc2CC1)C
+C(OCCOCC)Cn1ccc2c3c(C(NC3=O)=O)c(cc12)-c4ccccc4Cl
+C(OCCOCC=CCBr)COCCOCCC(=O)OC
+C(OCc1c(ccc(CBr)c1)Br)OC
+C(OCc1ccc(c(C#N)c1)OC)C
+C(OCc1ccc(nc1)C#N)C
+C(OCc1ncccc1)c2cc(ccc2)-n3cnc(C(=O)OCC)c3
+C(OCn1c(-n2ncc(C(=O)OCC)c2)nc3c(Cl)cccc13)COC
+C(OCn1cnc2c1cc(Cl)c(c2)Sc3cc(C)ccc3)COC
+C(ON=C(C=1C(CC(CC=1OC(C)=O)C2CSCCC2)=O)C)c3sc(cc3)Cl
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+C(Oc1c2c(C(=O)N(C2=O)c3ccc(cc3)CC(OCC)=O)c(c4c1cccc4)OCC)C
+C(Oc1cccc(N)c1)CN
+C(Oc1cncc(Br)c1)CCNC
+C(Oc1nc(CO)ccc1)CCC
+C(Sc1ccccc1OC)C(C=O)OC
+C(c1c(C#N)ccc(CBr)c1)#N
+C(c1c(C(NC)=O)[nH]c2cc(c(OC)cc12)F)CNC(C)=O
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+C(c1c(cc(Cl)c(OC)c1N)Cl)(O)=O
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+C(c1c(nc(nc1C)N)NCCCCC)CCCCC
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+C(c1c2nc(oc2c(cc1)Br)C)=NO
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+C(c1c[nH]c2c1ccc(N)c2)C#N
+C(c1c[nH]c2ncccc12)n3nnc4c3nc(-c5cnn(C)c5)cn4
+C(c1cc(C#N)cc(-c2onc(n2)-c3ncccc3)c1)N
+C(c1cc(C#N)ccc1I)C#N
+C(c1cc(C)c(C)nc1)c2c(nc(NCCCCc3c(cc(cn3)Br)C)nc2)O
+C(c1cc(OC)c(C)cc1)Nc2cc(-c3cc(ccc3)O)cnc2
+C(c1cc(c(Cl)cc1C#N)[N+]([O-])=O)Br
+C(c1cc(ccc1)OC)OCCBr
+C(c1cc2c(F)c(Cl)ccc2[nH]1)(=O)OC
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+C(c1ccc(c(F)c1OC)F)(=C)CC
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+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(NCCC(=O)OCC)=O)#N
+C(c1ccc(cc1I)F)(Cl)=O
+C(c1ccc2c(c(ccc2)O)n1)N
+C(c1ccc2c(c1)c(ncn2)O)c3nnc4n3nc(-c5cnccc5)cc4
+C(c1ccc2ncccc2c1)N
+C(c1cccc(c1)Cn2c3nc(nc(N)c3nc2Br)NCCCC)P(OCC)(=O)C
+C(c1cccc(n1)N)CS
+C(c1cccc2ccc(OC)cc12)C#N
+C(c1cccc2ccsc12)Br
+C(c1cnccc1)n2c(nnn2)-c3c(Cl)c(Br)ccc3
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+C(c1nc(nc(NCc2c([N+]([O-])=O)cccc2)c1Cl)-c3c(F)c(c(Cl)cc3)OC)(OC)=O
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+C(c1ncccc1)(O)c2cc(c(N)cc2)OCC
+C(c1ncccc1)CCCCCl
+C(c1nnc(N)o1)CCCCCCCCCCCC
+C(c1nnc2N(CCCCC)c3nc([nH]c3C(=O)n12)Br)c4cc(ccc4)Br
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+C1(=O)N2CCCC2=C(C(NOCCO)=O)C(=C1F)Nc3c(cc(cc3)C#C)F
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+C1(C)CN(CC(C)N1)CCOCCN2c3ccccc3N(S2(=O)=O)c4ccccc4F
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+C1(CN(CC(C)O1)c2nc(nc(N3CCOCC3)c2)-n4c(nc5c(OC)cccc45)C(F)F)C
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+C1(COc2c(cccc2)O1)CN3CC(CCC3)CN
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+C1(OC)CN(CCC1N)C
+C1(c2c(C(=O)N1C(C)(C)Cc3n4c(c(OCC(=O)OCC)ccc4)cn3)cccc2)=O
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+C1(n2c(Br)nc3cc(c(F)cc23)F)OCC(C(O)C1O)O
+C12(NC(C3CC(CC3C(N(CCCCC=CC1C2)C)=O)OCOCC)=O)C(O)=O
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+C12C3CN(C1)CC23C(C#N)N
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+C12CC(=O)CC1C(CC2)CCCCC(CC)OC(C)=O
+C12CC(CC(CCC1)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O)C(N)=O
+C12CC(CCC1(C)C3C(O)CC4(C(CCC4C(=O)NCCN)C3CC2)C)O
+C12CC3(CC(C1)CC(C3)C2)C(Nc4ccc(cc4[N+]([O-])=O)S(=O)(=O)NC(c5ccc(cc5)-c6ccc(cc6)F)=O)=O
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(Cl)ccc(NCCN(C(OC(C)(C)C)=O)CCS(C)=O)c4
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5cc(COCC(=O)O)nn5ccc4
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5ccc(nc5ccc4Cl)N6CCC(NCCc7nnn[nH]7)C6
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+C12CC3(CC(C1)CC(C3)C2)CNC(c4n5cc(C(O)=O)nc5ccc4)=O
+C12CC3(CC(C1)CC(C3)C2)COC(NC(CNC(c4sc(CCC(=O)N=C5NCCCN5)cc4)=O)C(=O)OCC(C)C)=O
+C12CC3CC(C1)CC(C2)(C3)CNC(c4cc(ncc4Cl)CCC=O)=O
+C12CC=CC1(CCC3C4(C(=CCC23)C=C(OC)CC4)C)C
+C12CCC(C1(CCC3C4C(=CC(CC4)O)CCC23)C)=C
+C12CCCC1N(C)C(=O)N2c3ccc(C#Cc4cccc(c4)F)cn3
+C12COCC(CC1)N2c3nc(-c4ccc(cc4)N)nc(NC(C)C)c3
+C1=C(C=2C(=O)N(C(=NC=2c3cc(F)ccc3)N)C)C=CC(=O)N1C
+C1=C(N=C2N(N=C(S2)SCCCCCC)C1=O)C
+C1=CC=C(C(=S)N1CCCC)O
+C1=CN(c2cccc(c2)F)C(=O)n3cc(nc13)CCl
+C1C(C(CN(c2oc(C(=O)O)c(C)n2)C1)OC)NC(c3nc(Cl)c(CC)[nH]3)=O
+C1C(C)=Cc2cccc(-c3ncccc3)c12
+C1C(C)C(C(CN1C(OCC)=O)C)N
+C1C(C)N(CCC1)c2n3cc(ccc3nn2)OC4CCC(N)c5ccccc45
+C1C(C)NC(CN1c2ccc(OC)c(NS(=O)(=O)c3ccc(-c4ccc(C)o4)cc3Cl)c2)C
+C1C(CC(CCCn2ccnc2)N1C(OCC=C)=O)O
+C1C(CC(N)=O)CC(C)CC1
+C1C(CC(NCC(N)=O)=O)CC(C)CC1
+C1C(CC1(C)C)C(NC(Nc2ccc(cn2)Oc3ncnc(-c4cnn(C)c4)c3)=O)=O
+C1C(CC1)(C(=O)N2CCC(Nc3cc(c4c(ccc(c4)O)n3)C)C2)c5ccc(cc5)Cl
+C1C(CC1)(C(O)CN2CCCCC2)c3ccccc3
+C1C(CC1)(C)C(CC(=O)OC)Nc2nc(ncc2F)-c3c[nH]c4ncc(cc34)F
+C1C(CC1)(NC=2C(N(C=CN=2)c3cc(ccc3C)C(NC4CC4)=O)=O)c5ccccc5OCCNCCO
+C1C(CC1)(c2c(cc(cc2)Cl)OC)C=3c4cc(O)ccc4CCN=3
+C1C(CC1)C(=O)N2CC(c3c4cccc5CCCn(c3)c45)C(c6c7c(cccc7)[nH]c6)C2
+C1C(CC1)C(N(CCCNc2c(cnc(Cl)n2)Br)C)=O
+C1C(CC1)C(N2CC(Nc3c(cnc(-c4c[nH]c5ncc(cc45)Cl)n3)F)CCC2)=O
+C1C(CC1)N(C)C(c2cc(ccc2OC)Oc3c(cc(cc3Cl)COC)Cl)=O
+C1C(CC1)N(CC(=O)NC)CC2CCN(CC2)c3c4c(csc4ncn3)-c5ccccc5
+C1C(CC1)N(CCCc2c[nH]c3c2cc(C#N)cc3)C4COc5cccc(OC)c5C4
+C1C(CC1)N2CCC3(CCN(CC3)c4nnc(SC)cc4)CC2
+C1C(CC1)N2CCc3c(ccc(c3)Oc4c(N5C(=O)CCC5)nccn4)CC2
+C1C(CC1)N2CCc3cc(OCCCC(n4cncc4)=O)ccc3CC2
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4ccc(cc4F)N5CCN(C)C5=O
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4cnc(cc4)C#N
+C1C(CC1)N2Cc3c(C2=O)c(c4cccc(c4n3)-c5c(cc(F)cc5)C#N)N
+C1C(CC1)NCCCN
+C1C(CC1)Oc2cncc(-c3ccc4c(c3)c5c(cn4)N(C(N5c6cn(nc6C)C)=O)C)c2
+C1C(CC1)c2cc3cc(ncc3[nH]2)N
+C1C(CC1)c2cc3n(nc2Cl)c(nn3)-c4ccccc4F
+C1C(CC1)c2ccc(-c3cc4[nH]cnc4nc3)c(c2OC)F
+C1C(CC1C(Cl)=O)N=[N+]=[N-]
+C1C(CC1CC#N)C(CC(OCC)=O)=O
+C1C(CC1CO)N2C=C(C(=N)NC2=O)F
+C1C(CC1COC(F)F)NC(N2Cc3n(nc(c3C(=O)N)-c4cccc(c4)Cl)CC2)=O
+C1C(CC1COS(=O)(=O)c2ccc(cc2)C)c3n4ccnc(N)c4c(-c5cc(OCc6ccccc6)ccc5)n3
+C1C(CC1COc2ccc(c(C)n2)Br)=O
+C1C(CC1N)(c2ncccc2)C#N
+C1C(CC1S(=O)(=O)NC=2C(=C(C(=O)N3CCSC=23)C)Nc4ccc(I)cc4F)O
+C1C(CCC1Nc2nc3cc(ccc3c(C)c2)OC)NCc4cn(C)c5cccnc45
+C1C(CCCC1c2c3cc(NC(c4sccc4)=N)ccc3[nH]c2)NCC
+C1C(CCCN1)(COC)Cc2c(F)cccc2
+C1C(CCCN1C(=O)c2cnc(c(Cl)c2)Nc3ccc(C)nc3)CCC
+C1C(CCCN1CC)CCn2c(OC)nc3c2nc(nc3N)OC(CCC)C
+C1C(CN1C(CCOCCc2ccc3c(ccs3)c2)=O)OCOC
+C1C(CN1C(Nc2cccnn2)=O)Oc3ncc(-c4c(c(ccc4)OC)F)cc3
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+C1CC(CCN1c2cccc(c2)-c3ccnc(Cl)n3)O
+C1CC(CCN1c2cccc3ccc(nc23)-c4n5ccc(C(O)CO)cc5nn4)CN
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+C1CC(CCN1c2nccc(-c3cccc(n3)-c4n5c(ccc(N6C(c7cccc(F)c7)CCC6)n5)nc4)c2)O
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+C1CC(CCN1c2onc(n2)C(C)C)Oc3c(c(ncn3)Oc4c(cc(Br)cc4)F)C
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+C1CC(CCO1)CNc2nc(cnc2N)-c3c(cnc(NC4CCC(CC4)N)c3)Cl
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+C1CC(CCO1)COc2nccc(C3=CN(C(=O)c4cc(oc34)CN5CCOCC5)C)c2
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+C1CC(CCO1)Nc2ccc(F)c(C3(NC(COCC3F)=N)C)c2
+C1CC(CCO1)Nc2n3c(nc(N4CCCC4)c2)cc(C(=O)N(C)OC)n3
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+C1CC(CCO1)Oc2ccc(cc2C=O)I
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+C1CC(CCO1)n2ncc(N)c2Cl
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+C1CC(F)(COc2c3cccnc3cc(-c4cnn(CC)c4)n2)CNC1
+C1CC(F)(F)CCC1Nc2nc(nc(NC3CCC(F)(F)CC3)n2)-c4c(ccc(N)n4)F
+C1CC(Nc2cccc(OCCOC(CC(=O)C)=O)c12)=O
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+C1CC1(C(=O)NC(CO)c2cc(Cl)ccc2)Nc3nc(ncc3Cl)Cl
+C1CC1(C(=O)Nc2c(C)cc(cc2)Br)C(O)=O
+C1CC1(C(Nc2cc(c(nc2)C)-c3cccc(S(=O)(=O)N(C)C)c3)=O)c4ccc5OCOc5c4
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+C1CC1(C2(CCc3ccc(cc3)Cl)OC2)Sc4ccccc4
+C1CC1(CC=C)S(=O)(=O)Nc2c(c(F)c(cc2)F)Nc3c(cc(I)cc3)F
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+C1CC1(c2cc(N)ccc2)C(=O)N
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+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4ccc5[nH]c(cc5c4)C(CO)C
+C1CC1(c2ccc(OCOC)c(n2)Cl)N
+C1CC1(c2ccc(cc2)-c3ccc(cc3)-c4c(c(C)no4)CN(CC)CC(C)c5ccccc5)C(=O)OCC
+C1CC1(c2ccc3c(cccn3)c2)c4nnc5ncc(-c6ccc(c(F)c6)C(NCC)=O)nn45
+C1CC1(c2nnc(o2)C3CCC4N(C(=O)N3C4)OCc5ccccc5)CN
+C1CC12C(CN(C(=O)CCN3C(=O)C(C)N(CC3)C(=O)C=Cc4cc(Cl)c(cc4)F)CC2)O
+C1CC12C(CN(c3c(cc(c(F)c3OC)C(O)=O)F)C2)NC(c4ccccc4)C
+C1CC12CNCCC2(O)c3ccc(cc3)Cl
+C1CC12COc3c(ccc(Oc4ccc(cn4)NC(=O)C(N)CC)c23)C
+C1CC1C#CCOc2ccc(cc2)Cc3c(ccc(C4C(O)C(O)C(O)C(CO)O4)c3)Cl
+C1CC1C(=O)C(=CN(C)C)C(c2ncc(cc2Cl)Cl)=O
+C1CC1C(=O)N2C(C)CCc3c(OC4CCC4)c(-c5c(n(C6CC6)nc5)NS(=O)(=O)C)ccc23
+C1CC1C(=O)N2CC(CC2)CC3=NNC(N3c4ccc(cc4)-c5ccc(cc5)OC)=O
+C1CC1C(=O)Nc2nc3ccc(Oc4cc(NC(=O)C5CCCC5)c(C)cc4)nn3c2
+C1CC1C(=O)Nc2nc3n(cc(Oc4ccc(c(c4)NC(c5c(nn(CC)c5)C)=O)Cl)cc3)n2
+C1CC1C(=O)Nc2ncc(c(c2)NC(=O)c3c(Cl)cc(cc3Cl)Cl)F
+C1CC1C(=O)Nc2nccc(c2)Oc3c(F)cc4c(CC(C(OC)=O)CC4)c3
+C1CC1C(=O)Nc2sc3nc(ccc3n2)Cl
+C1CC1C(=O)c2cc3c4c(ccc3cc2)ccc(c4)Cl
+C1CC1C(C(C)(C)C(=O)N)NC(c2c3nc(cnc3[nH]c2)C4CC4)=O
+C1CC1C(C(Nc2ccc(cc2)Cl)=O)Oc3c4c(cccc4)ccc3
+C1CC1C(C2CC2)(O)C#Cc3ccc(cc3)C(NS(=O)(=O)c4c(cccc4)S(=O)(=O)N)=O
+C1CC1C(CC#N)n2ncc(-c3nc(-c4cn(C)nc4)cc5n3c(I)cn5)c2
+C1CC1C(N(CC)Cc2c(ccc(F)c2)-c3c(OC)ccc(CC(OCC)=O)c3)=O
+C1CC1C(NCCCn2c3ncnc(N)c3nc2Sc4cc(Cl)cc(c4)Cl)C
+C1CC1C(Nc2cc(ccc2)-c3ccc(nn3)N4CCN(CC4)C5CC5)=O
+C1CC1C(Nc2ccccc2Oc3nc(Cl)ncc3Cl)=O
+C1CC1C(Nc2ncc3c(ccc(-c4c(cc(cc4)Cl)C)c3)c2)=O
+C1CC1C(Oc2cccc(c2)CCl)C
+C1CC1C2(C(N(c3ccnc(Nc4ncc(cc4)C=5NC(ON=5)=O)c3)CC2)=O)C#N
+C1CC1C2(C3CC3)c4c(NC(O2)=O)ccc(-c5cc(C#N)cc(F)c5)c4
+C1CC1C=2Cc3c(Cl)cccc3C=2
+C1CC1C=C(C(N2CCCC2Cn3c4c(c(n3)-c5c(F)cc(cc5)Oc6cccc(F)c6F)c(N)ncn4)=O)C#N
+C1CC1CC(CC2CC2)n3cc(-c4n5c(ncc5)cc(n4)-c6cnn(C)c6)cn3
+C1CC1CC(NNc2nccc(I)c2Cl)=O
+C1CC1CCCCCCCCC(=O)OCC=Cc2ccc(cc2)C
+C1CC1CCN2c3ccccc3C(c4cc5c(cc4O)OCO5)C2=O
+C1CC1CCNc2nc3c(c(N)n2)nc(OC)n3C4CCCCO4
+C1CC1CCOc2ccc(cc2)OC3C(=O)NCC3
+C1CC1CN(CC(Nc2ccc(cc2F)-c3c(S(=O)(=O)C)cccc3)=O)C(Nc4ccc(cc4)Cl)=O
+C1CC1CN(CC)Cc2nnc3CN=C(c4c(ccc(c4)F)-n23)c5ccccc5F
+C1CC1CN(CC2CC2)c3c(C#N)cc4nc(C)n(C)c4n3
+C1CC1CN(CCC)C(c2n(C)nc3c(cccc23)-c4ccc(cc4Cl)Cl)=O
+C1CC1CN(c2ccnc(Cl)n2)S(=O)(=O)C
+C1CC1CN2C(=O)C(C(c3ccccc3)Oc4ccccc24)N
+C1CC1CN2C(Cc3c[nH]c4c3cc(cc4)-c5cncc(C(N)=O)c5)CCC2
+C1CC1CN2CCN(CC2)C3CCNCC3
+C1CC1CN2CCN(CC2)CC(CN)OC
+C1CC1CN2CCN(CC2)c3c(C=4CC(C)(C)CC(C)(C)C=4)cccc3
+C1CC1CN2CCc3c(ccc(Oc4ncc(-c5onc(n5)C)cc4)c3)CC2
+C1CC1CN2c3[nH]c(Cc4ccc(cc4)N(C(c5cnn(C)c5)=O)C)nc3C(=O)N(Cc6ccccc6F)C2=O
+C1CC1CNC(=O)c2cc(NN)ccc2
+C1CC1CNc2nc(C)nc(c2C)O
+C1CC1CNc2nc(cnc2)-n3cnc4ccc(N)cc34
+C1CC1COCCc2ccc(cc2)OCC(CNCCn3c4ccc(-c5ccc(nn5)O)cc4nc3)O
+C1CC1CONC(=O)C2=CN(C(=O)C=C2Nc3ccc(Br)cc3F)C
+C1CC1CONC(C=2C(=C(C(=O)N(C)C=2C)C)Nc3c(F)cc(cc3)C)=O
+C1CC1COc2c(C#N)cc(-c3ccnc(c3)Nc4cn(CCOC)nc4)cc2
+C1CC1COc2c(C=NOC)ccc(c2)C(O)=O
+C1CC1COc2c(I)cccc2O
+C1CC1COc2c(cc(C(=O)C)cc2)-c3c4[nH]cc(C(OCC)=O)c4ncn3
+C1CC1COc2cc(ncc2)CS(c3nc4c(cc(F)cc4)[nH]3)=O
+C1CC1COc2cc3c(nc(c(CO)c3)NCCNC(C)=O)cc2
+C1CC1COc2ccc(cn2)OC3C(N(c4cc(F)c5CCC(O)c5c4F)CC3)=O
+C1CC1Cc2c(OCCCOc3c(CCC)c4c(cc3)CCC(CCC(=O)OCC)O4)ccc(C(=O)NC)c2OC
+C1CC1Cc2nc(ncc2-c3nc(NC4COCCC4)ncc3)N
+C1CC1Cn2c(cc3c2nccc3)-c4n(c5c(n4)cc(cc5)C(N6CC(CCC6)N)=O)C
+C1CC1Cn2nc(OC3C(O)C(O)C(C(O3)COC(OCC)=O)O)c(Cc4ccc(cc4)OC(C)C)c2C
+C1CC1N(C(C(C)CSC(C)=O)=O)CC(=O)O
+C1CC1N(C)Cc2c(ccc(C#Cc3ccc(cc3)CC(=O)O)c2)C(=O)OC(C)C
+C1CC1N(C2CCC(CC2)COc3ncc(S(=O)(=O)N)cc3Cl)C4COC4
+C1CC1N(CC)c2ncc(cc2)C(=O)OCC
+C1CC1N(CCOCC(=O)O)S(=O)(=O)c2c(C)cc(cc2C)OC
+C1CC1N(Cc2c(Cl)cc(Cl)cc2)CC(=O)c3ccccc3
+C1CC1N(c2cccc(C#N)c2Cl)C(c3cc(N4C(=O)Nc5c(c(sc5)C(=O)N)C4=O)c(s3)Cl)=O
+C1CC1N2C(=O)N(Cc3ccc(c(Br)c3)C(F)(F)P(O)(O)=O)C(c4ccc(cc4)S(=O)(=O)C)=C2
+C1CC1N2C(C(Nc3c(-c4nc(on4)C)c(ncn3)N)CC)=Nc5cccc(Cl)c5C2=O
+C1CC1N2C(C(Nc3c(-c4nnn(C)n4)c(ncn3)N)C)=Cc5c(c(Cl)ccc5)C2=O
+C1CC1N2C(CC(=O)N(c3ccc(cc3F)I)C2=O)=O
+C1CC1N2C=C(C(c3c2cc(c(F)c3)N4CC(CCC4)(O)CNCC)=O)C(=O)O
+C1CC1N2CCN(c3ccccc23)C(c4cnccc4Oc5c(cc(OCC(=O)OCC)c(c5)Cl)Cl)=O
+C1CC1N2c3c(C#N)c(c(cc3C(C(=C2)C(=O)OCC)=O)F)N4CC5NCCCC5C4
+C1CC1N2c3c(c(c(F)cc3C(C(C(O)=O)=C2)=O)N4CCCC(NC(C)=O)C4)OC
+C1CC1N2c3c(c(c(c(C=C)c3C(C(C(=O)O)=C2)=O)F)N4C5CC(N(C)C5)C4)F
+C1CC1N2c3c(cc(c(N4CCN(CC4)C)c3)F)C(=CC2=O)CO
+C1CC1NC(=O)C(=O)C(Cc2ccccc2)NC(c3cccnc3-n4cc5ccccc5n4)=O
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ccc(cn5)CN(C(C)COC)C(=O)C)s4)ncc3
+C1CC1NC(=O)Nc2ccc(C)c(C3=Cc4cnn(-c5c(F)cccc5F)c4N(C3=O)C)c2
+C1CC1NC(=O)c2cc(c(cc2)C)N3C=Cc4ccc(cc4C3=O)OCCN5CCCOCC5
+C1CC1NC(=O)c2ccc(C)c(-c3cc4cnnc(C#N)c4cc3)c2
+C1CC1NC(=O)c2nc3cccnc3n2-c4cc(F)c(cc4)Cl
+C1CC1NC(C=2C(c3cccnc3N(c4cc(C#Cc5ccc[n+]([O-])c5)ccc4)N=2)=O)=O
+C1CC1NC(N2CCS(=O)(=O)C(CC(NOC3OCCCC3)=O)(c4sc(cc4)-c5ccc(cc5)-c6cnco6)CC2)=O
+C1CC1NC(Nc2ccc(cc2)-c3nc(N4C(COCC4)C)c5CN(Cc5n3)C(OC)=O)=O
+C1CC1NC(Nc2ccc(cc2)Oc3ccnc(NC(CCC)=O)c3)=O
+C1CC1NC(c2cc(N3C(C(NC=C3)=NC4(CC4)c5c(OCC6OC6)cccc5)=O)c(C)cc2)=O
+C1CC1NC(c2cc(N3C(C(NC=C3)=NC4(CC4)c5ccccc5OCC(O)CNCC)=O)c(C)cc2)=O
+C1CC1NC(c2ccc(c(N3C(c4cc(ccc4N=C3)OCC5N(C)CCC5)=O)c2)C)=O
+C1CC1NC(c2cnn3ccc(nc23)N4C(c5cc(cc(OCCOC)c5)F)CCC4)=O
+C1CC1NC(c2ncc(OCc3c(C)onc3-c4ccccn4)cc2)=O
+C1CC1NC(c2nnc(OCc3c(noc3C)-c4cccc(F)c4)cc2)=O
+C1CC1NC=C(C(=O)c2c(cc(c(c2)F)C=3CCN(CC=3)C(C)=O)F)C(=O)OCC
+C1CC1NCCCOc2c(-c3ccc4C(C)(C)CCC(C)(C)c4c3)cc(-c5ccc(cc5)C(O)=O)cc2
+C1CC1NCCN2C(=O)C3(N(C2=O)C(c4cc(ccc4)O)c5[nH]c6ccc(OC)cc6c5C3)C
+C1CC1NCc2c(Cl)ccc(CCNC(=O)OC)c2
+C1CC1NCc2c(Cl)ccc(c2)CCNC(C)=O
+C1CC1NCc2ccc(cc2OC(CC=C)C)C
+C1CC1NS(=O)(=O)c2ccc(cc2)-c3cc(-c4ccc5c(NCC(C)NC5=O)c4)c(nc3)N
+C1CC1Nc2c3cc(ccc3ncn2)-c4ccc(cc4)F
+C1CC1Nc2ccccc2NC(=O)c3cccnc3Cl
+C1CC1Nc2n3ncc(C=C4SC(=O)NC4=O)c3nc(-c5ccnc(F)c5)c2
+C1CC1Nc2nc(cc(-c3cncc(-c4cc(ccc4)CN5CCN(CC5)C)c3)c2)-c6nc(C)ccc6
+C1CC1Nc2nc3c(c(c(s3)C(N)=O)N)c(-c4cnccc4)n2
+C1CC1Nc2ncc3CN(c4cc(-c5nccs5)c(Cl)cn4)CCc3n2
+C1CC1Nc2ncccc2C(Nc3c(nccc3C)OC)=O
+C1CC1OC2CC(CO)N(C(c3cc(c4c(c3)nc(NCc5nccc(Cl)c5)o4)OC)=O)C2
+C1CC1Sc2c(Br)cc(C(C(=O)OCC)=CC3CCOCC3)cc2
+C1CC1c2c(C)n3c(ccc(c3)N4C=CC(OCc5ccc(F)cc5F)=CC4=O)n2
+C1CC1c2c(Nc3c(cccc3)C(NOC)=O)cc(nc2)Nc4n(C)nc(C)c4
+C1CC1c2c(c(cnc2)Br)Cl
+C1CC1c2c(c3c(cc(Cl)cc3)n2-c4cnn(CCC)c4)Sc5cccc(C(OCC)=O)c5
+C1CC1c2c(cc(c(Cl)c2)OC)N
+C1CC1c2c(cc(c(F)c2)[N+]([O-])=O)-n3c(nnn3)C(C)C
+C1CC1c2c(cc(c(c2)C(NS(=O)(=O)C3CC3)=O)F)OCC4CCN(CC4)S(=O)(=O)C
+C1CC1c2c(cc(cc2Cl)NC(=NC#N)SC)Cl
+C1CC1c2c(cc(cn2)Oc3cc(c(C(O)=O)cc3Cl)F)OC(F)(F)C
+C1CC1c2c(ccc(C(OCC)=O)c2)F
+C1CC1c2c(cncc2F)-c3cc4CCc5nnc(C)n5-c4c(F)c3
+C1CC1c2cc(C#N)c(nc2Oc3cc4c(cc3)B(O)OC4)OCCCC(=O)C
+C1CC1c2cc(C3=C(C4(CCN(CC4)OC)NC3=O)O)c(C)cc2C
+C1CC1c2cc(N)c(N)cc2
+C1CC1c2cc(OC)c(F)cc2-c3ncc4c([nH]nc4)c3
+C1CC1c2cc([nH]n2)Nc3c(Cl)cnc(NC(C)c4ncc(cc4F)F)n3
+C1CC1c2cc([nH]n2)Nc3c(Cl)cnc(NC(c4ccc(F)cn4)C)n3
+C1CC1c2cc(c(cc2)F)NC(c3cc4c(nc(Nc5c(cccc5Cl)Cl)[nH]4)c6c3OC(C)(C)C6)=O
+C1CC1c2cc(ccc2-n3nnc(c3C)C(=O)NC=4C(=O)N(c5ccccc5F)N(C=4C)C)Cl
+C1CC1c2cc(n[nH]2)Nc3c4c(nc(SC)n3)CN(CC4)C(=O)OCc5ccccc5
+C1CC1c2cc3c(cc2N(S(=O)(=O)C)CCCO)nn(-c4ccc(cc4)Nc5ccccc5F)c3C(=O)NC
+C1CC1c2cc3c(s2)N(C(=O)NC3=O)Cc4c(F)cc(cc4F)-c5c(cccc5)C#N
+C1CC1c2cccc(N3CCn4c(cc(n4)OCc5ccccc5)C3=O)n2
+C1CC1c2cccc(n2)C(N3CCN(C(OCc4ccccc4)=O)C(C)(C)C3)=O
+C1CC1c2cnc(-c3nc(C4CCCC4)no3)cc2OCC5CC5
+C1CC1c2n[nH]c(-n3cnc4cnc(cc34)NC(c5ccc(cc5)F)C)c2
+C1CC1c2n[nH]c(c2)C3CC3
+C1CC1c2nc(-c3nc4c(C)c(OC)ccc4c(c3)Cl)sc2
+C1CC1c2nc(C(=O)OC)c(c(OC)n2)Cl
+C1CC1c2nc(on2)C3CN(CC(C3)c4ccc(cc4)OC(F)F)C(=O)N5CCS(CC5)(=O)=O
+C1CC1c2nc3c(c[nH]c3nc2)C(NC(C)CC(NCC)=O)=O
+C1CC1c2nccc(N3CCN(c4cnccc4C5CC5)C3=O)c2
+C1CC1c2nn3C(c4ccc(cc4)F)=CC(=O)Nc3c2-c5ccc(cc5)Cl
+C1CC1c2nnc(o2)-c3c(ncc(c3)-c4ccc5[nH]ccc5c4)N
+C1CC1c2noc(C=Cc3ccc(c(c3)O)O)n2
+C1CC1c2sc(nn2)N3C(CCN(C)C3=O)OC(=O)CCl
+C1CC1n2c3c(c(cc(C(OCC)=O)c3)OCC)cc2
+C1CC1n2c3c(nc2-c4cccnc4)ccc(c3)C#N
+C1CC2(CCC(CC2)N(C)c3nc(ncc3C)Nc4cn(C)nc4)CCN1C(=O)CC#N
+C1CC2(CCC1(CC2)C)CCN
+C1CC2(CCC1(CC2)COS(=O)(=O)C)c3[nH]c4c(C(=O)N(CCC)C(N4CCC)=O)n3
+C1CC2(CCC1(CC2)NCC(=O)N3CCCC3C#N)C(=O)OCC
+C1CC2(CCC1(CC2)OC)NC(OCc3ccccc3)=O
+C1CC2(CCC1(CC2)c3[nH]c4N(CCC)C(N(C(=O)c4n3)CCC)=O)CCc5[nH]nnn5
+C1CC2(CCC1(N)C)OCCO2
+C1CC2(CCC1(c3ccccc3)N(C)C)c4c(CCC2)c5c(ccnc5)[nH]4
+C1CC2(CCC1)C(N(Cc3c(cc(cc3Cl)O)Cl)CC2)=O
+C1CC2(CCC1)N=C(c3ccc(cc3)OC)C(N2CC(Nc4cc(F)cc(F)c4)=O)=O
+C1CC2(CCC1)ON=C(c3cnc4c(c3NC5CC5)cnn4CC)C2
+C1CC2(CCC1C(N(C)C)C#N)OCCO2
+C1CC2(CCC1O2)COc3c(F)ccc(c3)-c4cn(C5CC(C5)CN6CCS(CC6)=O)c7c4c(N)ncn7
+C1CC2(CCC1OC)Cc3cc(c(Br)cc3C2=N)F
+C1CC2(CCN1)c3c(CO2)ccnc3
+C1CC2(CCN1)c3c(cccc3)CS2=O
+C1CC2(CCN1C(=O)N3CCC3)Cc4cc(cnc4NC2=O)Br
+C1CC2(CCN1C(=O)c3cc(OC)c4c(n(C5CC5)cc4)c3)Oc6ccc(-c7cc(ccc7)C(O)=O)cc6C(=O)C2
+C1CC2(CCN1C(=O)c3cc(ccc3)S(=O)(=O)NCCC(O)=O)CNC(=NC(c4nc(c(nc4N)N)Cl)=O)N2
+C1CC2(CCN1C(=O)c3ccc(cc3)-c4cn5c(-c6ccc(cc6)C#N)cnc5cc4)N(CCCC2)C(=O)C
+C1CC2(CCN1C(NCC)=O)Oc3ccc(C=CC(=O)OC)cc3C(C2)=O
+C1CC2(CCN1C)COc3cc4CCN(C(c5ccc(cc5)-c6ccc(N7CCCC7=O)cc6C(OC)=O)=O)c4cc23
+C1CC2(CCN1CCc3cc(ccc3)OC)CC(c4cc(ccc4O2)C=CC(=O)OC)=O
+C1CC2(CCN1Cc3cccc(CCO)c3F)CN(C(=O)c4csc(n4)C(C)C)CCO2
+C1CC2(CCN1Cc3n(CC)c4nc(Cl)nc(c4n3)N5CCOCC5)CCNC2=O
+C1CC2(CCN1S(=O)(=O)c3ccc(cc3)-c4ccc5cccnc5c4)OCC(=O)N(C2)C6CC6
+C1CC2(CCN1c3c(F)cc4c(N(C5CC5)C=C(C(=O)NCc6c(Cl)cc(cc6)Cl)C4=O)c3Cl)CNC(C2)=O
+C1CC2(CCN1c3cnn4c(c3Cl)nnc4CC5CC5)C=Cc6ccccc26
+C1CC2(CCN1c3nc(C)nc(c3)Oc4cc5c(NC(O5)=O)c(C)c4)CC(=O)Nc6c2cccn6
+C1CC2(OCC(CO2)COc3c(C)c(CO)ncc3)CCO1
+C1CC2(OCCO2)CCC1(Cc3ccccc3)N4CCCC4
+C1CC2C(N(C(=O)c3nc(N)sc3-c4cc(F)ccc4)C1C2)CN
+C1CC2CC(CC1N2)C(NCc3c(cccc3)F)=O
+C1CC2CC(CC1N2C(c3c(Cl)cccc3)c4c(Cl)cccc4)(O)c5ncccn5
+C1CC2CC(CC1N2Cc3ccccc3)NC(=O)C(C)C
+C1CC2CCC1CN(C2)c3nc(Nc4ccc(cc4)F)nc(NC(C)(C)CC(C)(C)C)n3
+C1CC2CCC1N2C(C(C)(C)c3ccc4c(c3)c(c(-c5cc(C)cc(C)c5)[nH]4)C(C)CN)=O
+C1CC2CCN1CC23OC(=NC3)Nc4cc(ncn4)Oc5ccccc5
+C1CC2CCN1CC2NC(=O)NC(C)(C)c3cccc(-c4ccccc4)c3
+C1CC2CCN1CC2OC(=O)C(c3ccccc3)N4CCC(F)(F)CC4
+C1CC2CCN1CC2Oc3nnc(-c4cc5sc(N)nc5cc4)cc3
+C1CC2CCN1CC2Oc3nnc(cc3)-c4ccc(c(N)c4)N
+C1CC2CCN1CCN2c3ncc([N+](=O)[O-])c(C(=O)NCC(C)(C)CO)c3
+C1CCC(C1)(CN2C(=O)CCC2)CCN3CCNCC3
+C1CCC(C1)(N2CCCC2)C(c3ccccc3)N
+C1CCC(C1)(c2scc(c2Cl)C)C(NNC(NC)=S)=O
+C1CCC(C1)C(=O)NCCn2c3CCN(Cc3c4cc(ccc24)C)C
+C1CCC(C1)C(CS(=O)(=O)N2CCC(CC2)Oc3c(Br)cc(cc3)F)C(O)=O
+C1CCC(C1)C(c2ccc(c(c2)CC(C)C)O)C(OC)=O
+C1CCC(C1)C(c2ccc(cc2)OCc3ccc4ccccc4n3)C(=O)N
+C1CCC(C1)C2C(=O)c3c(CC2)cc(c(Cl)c3Cl)OCc4[nH]nnn4
+C1CCC(C1)C2N(c3ccc(C#N)c(Cl)c3)N=C4C2CCc5cc(C(OCCCCCCC)=O)ccc45
+C1CCC(C1)C2N(c3nc(c(C#N)cc3)C)N=C(c4cc(c(CC(O)=O)cc4)OC)C2
+C1CCC(C1)CCCCCCCCOc2ccc(cc2)-c3ncc(CCCCCCC)cc3
+C1CCC(C1)CCc2c(oc3c2cccc3)-c4cc5ccc(OC)cc5cc4
+C1CCC(C1)CN2C(C(C(NCc3ccccc3)=O)=CC(c4ccc(cc4)OC)=N2)=O
+C1CCC(C1)CN2C(C(OC)=O)CC(N)C2
+C1CCC(C1)N2C3=NC(c4cc(OCC(=O)O)ccc4)=NC(=O)C3=C(N2)CC
+C1CCC(C1)N2CC3(CCC3)C(N(C)c4cnc(nc24)Nc5ccc(C(NN6CCN(CC6)C)=O)cc5F)=O
+C1CCC(C1)N2CCc3c(CC2)cc(cc3)Oc4ncc(C(NC)=O)cc4
+C1CCC(C1)NS(=O)(=O)c2cc(cc3c2ccc(OCC4CC4)n3)-c5c(noc5C)C
+C1CCC(C1)Nc2c(nc(c(n2)C#N)C#N)N
+C1CCC(C1)Nc2cc(Cl)cc3c(c(-c4ccc(cc4)OC)nn23)-c5ccnc(NC6CC6)n5
+C1CCC(C1)Nc2ccc(cc2)S(=O)(=O)Oc3ccc4nc(Nc5cc(c(cc5)OC)OC)n(c4c3)Cc6ccccc6
+C1CCC(C1)Nc2cccc3c(-c4ccnc(NN)c4)c(nn23)-c5ccc(cc5)F
+C1CCC(C1)Nc2n3nc(-c4ccncc4)c(-c5nc(ncc5)NC6CCCC6)c3ccc2
+C1CCC(C1)Nc2nccc(n2)-c3c(nn4c(NC5CCCC5)cccc34)Cc6ccccc6
+C1CCC(C1)OCCOc2ccc(cc2)Cc3cc(ccc3Cl)Br
+C1CCC(C1)Oc2c3c(c(C=O)cc2)c4ccccc4o3
+C1CCC(C1)Oc2cc(ccc2OC)C3=NOC(CC(O)=O)(C(=O)O)C3
+C1CCC(C1)Oc2cc(ccc2OC)Cc3nc4cccc(c4o3)[N+](=O)[O-]
+C1CCC(C1)c2c(OC(=O)OC)cc(c(CCC(=O)OCC)c2)N
+C1CCC(C1)c2c(OC)ccc(F)c2
+C1CCC(C1)c2c(OCCCC(=O)OC)ccc(-c3c4c(c(Br)c5ccccc35)sc(C)c4C)c2
+C1CCC(C1)c2c(ccc(OCCN3CCCC3)c2)-c4cccc(N)n4
+C1CCC(C1)c2cc(C(=O)c3c(sc(C)c3C)Cc4ccc(cc4)Br)ccc2OS(=O)(=O)c5cc(O)c(C(O)=O)cc5
+C1CCC(C1)c2ccc(C=O)c(OC)c2
+C1CCC(C1)c2ccccc2N=C=S
+C1CCC(C1)c2nc(cc(-c3nc(no3)-c4cc(C)c(OCCNCCO)c(CC)c4)c2)OC
+C1CCC(C1)c2nc(cc(c2)-c3onc(n3)-c4cc(c(c(Cl)c4)OCCCC(O)=O)C)OC
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+C1CCC(C1)n2cnc3c(nc(nc23)N4CCCC(C4)O)NCc5cc(OC)c(cc5)OC
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+C1CCC1(C#N)c2cccc(c2)OCc3ccc(cc3)-n4ccnc4C
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+C1CCC1(Nc2ccc(cc2)CCCC(NC)=O)C#N
+C1CCC1(c2ccc3ccccc3c2)C(CBr)=O
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+C1CCC1N2CCc3sc(nc3CC2)-c4ccc(cc4)N5CCN(C5=O)C
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+C1CCC2c3c(F)ccc4c3N(CCNCC4)C12
+C1CCCC(CC1)(NC(=O)c2ccc(OC)c(OC(C)=O)c2)C(OC)=O
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+C1CCCC(n2c(OC)nc3c(nc(OCC(C)CC)nc23)N)O1
+C1CCCC(n2c3c(c(Cl)c(cc3)Br)cn2)O1
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+C1CCCC(n2c3ccc(-c4cnccc4)cc3c(C(=O)OC)n2)O1
+C1CCCC(n2c3ccc(cc3c(C=O)n2)OCCOC)O1
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+C1CCCC12CC(CCNCc3cccs3)(CCO2)n4nccc4
+C1CCCC12CC(c3cc(OC)ccc23)=O
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+C1CCCCC1CN(CC)c2nc3c(cc2CO)ccc(c3)F
+C1CCCCC1CN2C(=O)N(C(C(=C2N)N=O)=O)CC3CCCCC3
+C1CCCCC1CN2CCCC(C(OCC)=O)C2=O
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+C1CCCCC1Cc2ccc(CN)cn2
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+C1CCCCC1Cn2c3c(Cl)cccc3c(c2)C(NN)=O
+C1CCCCC1N(C(n2cnc(-c3ccc[n+](c3)[O-])c2)=O)C
+C1CCCCC1N2C(=O)C(=O)Nc3c2cc([N+](=O)[O-])c(c3)Cl
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+C1CCCCC1N2C=C(C(=O)N)C(c3cnc(nc23)NCCCn4ccnc4)=O
+C1CCCCC1N2CCN(CC2)C(C=C(C)N)=O
+C1CCCCC1N2CCN(CC2)CCCCn3c4ccccc4nn3
+C1CCCCC1NC(=O)C2(COc3cccc(N)c3C(NO)=N)C(=O)NCCC2
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+C1CCCCC1Nc2c3c(nc(Nc4ccc(N5CCC(CC5)N6CC(CCC6)O)cc4OC)n2)nc[nH]3
+C1CCCCC1Nc2nccc(-c3cccc(n3)N4CCNCC4)c2
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+C1CCCCC1c2noc(c2)N
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+C1CCCCCCC1NC(=O)N2CCN(CC2)c3ccnc4cc(Cl)ccc34
+C1CCCCCCCCCCC1C(C)COCC
+C1CCCCCCCCCCCCCC1C=O
+C1CCCCCN1C(OC)=N
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+C1CCCCN1C(NCc2cccnc2)=C[N+](=O)[O-]
+C1CCCCN1C(c2cc(C)c(Nc3cnc(C)cc3)nc2)=O
+C1CCCCN1C2Cc3cc(Oc4ncc(cc4)C(=O)NC)ccc3C2
+C1CCCCN1CC(Nc2ccc(cc2)C(=O)N3CC4(CC3CC(C)(C)C4)C)=O
+C1CCCCN1CC2CCCCC2
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+C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O
+C1CCCCN1CCCn2c3ccccc3cc2C(NC4C(CCCC4)C(NC(CC(C)C)C#N)=O)=O
+C1CCCCN1CCOc2c3ccc(nc3c(cc2)Cl)Cl
+C1CCCCN1CCOc2cc3c([nH]c(-c4nn(cc4[N+]([O-])=O)C5OCCCC5)n3)cc2F
+C1CCCCN1CN2C(C(=C3c4ccc(N(C)C)cc4CO3)c5c2ccc(Cl)c5)=O
+C1CCCCN1Cc2[nH]c3cc(Oc4sc5ccccc5n4)ccc3c2
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)CN6CC(F)(F)C6
+C1CCCCN1S(=O)(=O)c2ccc(cc2)CNC(=O)c3ccn4nccc4c3
+C1CCCCN1c2c(c(ncn2)CO)C
+C1CCCCN1c2cc(c(cc2)[N+](=O)[O-])-c3nccc(c3)C=O
+C1CCCCN1c2cc(nc(N3CCCC3C)n2)N4CCN(c5c(C)cc(cn5)CO)CC4C
+C1CCCCN1c2cc3c(nc(c(C(=O)N4CCCCC4)c3-c5ccc(cc5)F)C)cc2
+C1CCCCN1c2nc(nc(C(O)=O)c2)-c3ccc(cc3)-c4ccccc4
+C1CCCN(CC1)CCC2CCCc3n(ncc23)-c4ccccc4
+C1CCCN(CC1)c2nc(nc(NC)n2)NC3CCC(CC3)C(O)=O
+C1CCCN(c2oc3c(C)cc(C)cc3n2)CCN1C
+C1CCCN1C(=O)c2ccc3c(CCC3)c2OC
+C1CCCN1C(c2c3c(n(C)c2)cc([N+](=O)[O-])cc3)=O
+C1CCCN1C2CCc3cc(N)ccc3CC2
+C1CCCN1CC(CCCCC)=Cc2c(Cl)cc(Cl)cc2
+C1CCCN1CC(COc2cc3nccc(Oc4cc(c(cc4)NC(=O)Nc5sccn5)F)c3cc2C#N)O
+C1CCCN1CC(OC(=O)C)COc2cc3ncnc(Cl)c3cc2OC
+C1CCCN1CC2(CCN(CC2)c3ncnc4nc[nH]c34)c5cccc(-c6cnn(C)c6)c5
+C1CCCN1CCC2C(=O)c3ccc(OC)cc3C2
+C1CCCN1CCCNC(=O)c2c(c3c(C4c5ccccc5NC4=O)ncnn3c2)C
+C1CCCN1CCN2C(c3c(C)c(C=C4C(Nc5c4cc(F)c(N)c5)=O)[nH]c3CC2)=O
+C1CCCN1CCNC(=O)c2c(c(C=C3c4cc(F)ccc4NC3=O)[nH]c2C)C
+C1CCCN1CCOc2ccc(cc2)CC3=C(C(Oc4c(c(ccc34)O)I)=O)c5c(Cl)cc(Cl)cc5
+C1CCCN1CCOc2ccc(cc2)N(Cc3cccc(OC4OCCCC4)c3)S(=O)(=O)c5c(C#N)cccc5
+C1CCCN1CCSc2cccc(c2)Nc3nnc4c(c(cc(c4)-c5c(Cl)ccc(O)c5)C)n3
+C1CCCN1CCc2c3c([nH]c2)ccc(c3)NC(=N)c4sccc4
+C1CCCN1CCc2cc(C=O)[nH]c2
+C1CCCN1CCn2ncc3c2ccc(N4C=Cc5oc(-c6cccc(Cl)c6)cc5C4=O)c3
+C1CCCN1Cc2cccc(O)c2F
+C1CCCN1Cc2sc(cc2)-c3ccc4c(c3)-c5n[nH]c(c5C(N4CC)=O)C
+C1CCCN1S(=O)(=O)c2ccccc2Cc3c(n(c(C4CCCC4)c3C#N)CC(O)=O)C
+C1CCCN1c2c(c(nc(n2)Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O)C)CC(O)=O
+C1CCCN1c2c3c4ccccc4n(c3nc(N5CCCC5)n2)CCN6CCCCC6
+C1CCCN1c2cc3cc4c(NC(N4)=O)nc3cc2
+C1CCCN1c2ccc(cc2)C(=O)Cc3c(ccc(-c4sccc4)c3)OC
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+C1CCCN1c2ncc(cc2)C3(CC3)C(=O)OCC
+C1CCCOC1OCCCCCCCCCC#CCCCCCCCCCCCCCCCCCCCC
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+C1CCCc2c1cc(c(N)n2)N
+C1CCN(C1)C(=O)c2ccc3c(c2)Oc4c(cccc4)C3=O
+C1CCN(C1)C2CCCC3C2N(CCN3Cc4cnc[nH]4)C(Cc5ccc(c(c5)Cl)Cl)=O
+C1CCN(C1)C2CCN(c3ccc(cn3)N4C(=O)C=C(OCc5ccc(cn5)Cl)C=C4)C2
+C1CCN(C1)CC#CCN2CC(O)CC2=O
+C1CCN(C1)CC(C)(C)S(=O)(=O)c2cc3sc(N)nc3cc2
+C1CCN(C1)CC(OCCN(C)C)=O
+C1CCN(C1)CC2CCN(CC2)C(CC3C(=O)NC=CN3S(=O)(=O)c4cc(C)c(Cl)cc4C)=O
+C1CCN(C1)CC=Cc2cc3c(c(Nc4cc(c(Sc5n(C)ccn5)cc4)Cl)c(cn3)C#N)cc2
+C1CCN(C1)CCC(Nc2nc3c(cc(cc3)Sc4n5cccnc5nc4)s2)=O
+C1CCN(C1)CCCN2c3nc(ccc3C(N(c4ccccc24)C)=O)C
+C1CCN(C1)CCCOc2noc(C(Nc3cc(c(cc3)F)Cl)=O)c2
+C1CCN(C1)CCN(C)CCSC2CCC3(C)C(CCC4C5(CCC(c6ccoc6)C5(CCC34)C)O)C2
+C1CCN(C1)CCOc2ccc3ncc(N)cc3c2
+C1CCN(C1)CCOc2nc(OC)c(NS(=O)(=O)c3ccc(cc3)CCCF)cc2
+C1CCN(C1)CCc2cc(c(cc2)N)OC
+C1CCN(C1)CCc2coc(-c3ccc(cc3)OCCCN4CCCC4C)n2
+C1CCN(C1)Cc2ccc(cc2)C3(CC3)C(O)=O
+C1CCN(C1)Cc2ccc(cc2)NC(=O)c3ccc(Cc4cc(cc5c4oc(C(C)C)c5)Cl)o3
+C1CCN(C1)Cc2ccc3c(ccn3CC#Cc4ncc(cc4)-c5ccc(cc5)Cl)c2
+C1CCN(C1)Cc2nc(N)ccc2
+C1CCN(C1)S(=O)(=O)c2c(c(cc(c2)C(=O)O)Br)NCCOC
+C1CCN(C1)c2c(nc(C(=O)N3CCSCC3)cc2)OCC4CC4
+C1CCN(C1)c2c3CC(N4c3c(c(c2F)N)C(C(C(O)=O)=C4)=O)C
+C1CCN(C1)c2cc(nc3cc(O)c(Br)cc23)C
+C1CCN(C1)c2cccc3c(cccc23)O
+C1CCN(C1)c2nc(N3CCCC3)nc(N4CCN(CC4)CCCOc5c6c(ccc5)[nH]c(c6)C#N)c2
+C1CCN(C1)c2nc(nc(Cl)c2CC(=O)O)Cc3ccc(cc3)NC(c4cc5c(cc4)cccc5)=O
+C1CCN(C1)c2nc3c(s2)C=Cc4cc(ccc4C3C5=CN(C)C(=O)NC5=S)Cl
+C1CCN(C1)c2nc3n(c(C)c(c3cn2)C(=O)NCc4c(cc(nc4O)C)C)C(C)c5ccccc5
+C1CCN(C1)c2nc3sc4c(c3c5c2COC(C)(C)C5)ncnc4O
+C1CCN(C1)c2nncc(Br)c2
+C1CCN1C(=O)Cc2ccc(cc2)OCCC3C(C4CCN(CC4)c5onc(C(C)C)n5)C3
+C1CCN1C(=O)c2ccc(cn2)Oc3cc(C(Nc4cnc(cn4)C)=O)cc(OC5COCC5)c3
+C1CCN1C(c2c3c(C)cccc3c(Cl)nc2)=O
+C1CCN1C(c2cc(c3OC(=CC(=O)c3c2)N4CCOCC4)C5CCCN5c6cc(F)cc(F)c6)=O
+C1CCN1c2n3ccnc(Cl)c3cn2
+C1CCN1c2ncc(S(=O)(=O)N3CCC=4C(Cc5c(n(nc5)-c6ccc(cc6)F)C=4)(COCC)C3)cc2
+C1CCN2C(C(=C(c3ccncn3)N=C2C(N)C1)Br)=O
+C1CCN2CCCC1(CNC(=O)c3c4c([nH]c3)cccc4)C2
+C1CCNCC1c2cc(C)c(cc2C)N
+C1CCOc2c1c(I)c(O)c(F)c2F
+C1CCc2ccc(cc2-c3nc(NC(CCCCBr)=O)sc13)F
+C1CN(CCC)CC(c2cc(ccc2)O)=C1
+C1CN(CCC1(C(=O)N)O)C
+C1CN(CCC1(C(=O)OC)N(O)C(=O)Cc2c(C)ccc(C)c2)OC
+C1CN(CCC1(F)F)CCOc2ccc3c(c2)cc(C(=O)O)o3
+C1CN(CCC1(Nc2ccc(cc2)F)C(N)=O)C(=O)OCC
+C1CN(CCC1(OC)CC2CCCCC2)c3ccc(cc3)C(=O)O
+C1CN(CCC1(c2c(cccc2)C)CNC(=O)OCC)C(=O)OCC
+C1CN(CCC1)C(=NC#N)CC#N
+C1CN(CCC1)C(=O)c2ccc(cc2)CO
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+C1CN(CCO1)CCNc2c3c(c(ccc3)-c4c(cc(cc4C)C)C)nc(C)c2
+C1CN(CCO1)CCNc2ncc(cn2)C#Cc3c(C)ncc(c3)NC(c4cc(ccc4)C(C#N)C)=O
+C1CN(CCO1)CCOC(N2CC(OCCF)C(n3c4c(nc(-c5ccc(C(C)C)nc5OC)c(C)c4)c(C)c3)C2)=O
+C1CN(CCO1)CCOCCOCCOCCC(O)=O
+C1CN(CCO1)CCOc2c3ccccc3c(NC(c4cc(-c5c(cccc5)F)ccc4)=O)cc2
+C1CN(CCO1)CCOc2cc(cc(-c3cc(nc(n3)-n4c(cc(n4)C)C)NC(C)=O)c2)F
+C1CN(CCO1)CCOc2ccc(NC(=O)c3cccc(c3)OC)cc2-c4ccnn4C
+C1CN(CCO1)CCc2cc(ccc2N)C
+C1CN(CCO1)CCc2nnc(s2)N
+C1CN(CCO1)CCn2cc(c3nc(c(OC)cc23)OC)-c4[nH]c5ncccc5c4
+C1CN(CCO1)Cc2[nH]c3c4c(C5CC(CO)CN(C#N)C5Cc24)ccc3
+C1CN(CCO1)Cc2c(nc3ccccc3c2C(=O)NN(c4ccccc4)C(OC)=O)-c5ccccc5
+C1CN(CCO1)Cc2cc(c(cc2)N)N
+C1CN(CCO1)Cc2cc3C(C(=CN(C)c3c(C#Cc4cccnc4)c2)C(=O)NCc5ccc(cc5)Cl)=O
+C1CN(CCO1)Cc2cc3C(C(C(NCc4ccc(cc4)Cl)=O)=CN(C)c3cn2)=O
+C1CN(CCO1)Cc2cc3c(c(C#CCCCO)c2)N(C=C(C3=O)C(=O)NCc4ccc(cc4)Cl)C
+C1CN(CCO1)Cc2ccc(cc2)-c3cc(ccn3)-c4n5c(nc4-c6nc(C)ccc6)ccc(c5)Cl
+C1CN(CCO1)Cc2cccc(S(=O)(=O)c3ccc(nc3)C=Cc4ccc(cc4F)F)c2
+C1CN(CCO1)Cc2cnc3n2c(ccc3)SCCNS(=O)(=O)C
+C1CN(CCO1)S(=O)(=O)c2cc(ccc2)C(NN=C(C)c3c(ccc(Cl)c3)Cl)=O
+C1CN(CCO1)S(=O)(=O)c2ccc(cc2)C=Cc3cc(O)c(cc3)O
+C1CN(CCO1)c2c(c(c(s2)C(O)=O)C(c3cc(c(Cl)cc3)Cl)CCO)C#N
+C1CN(CCO1)c2c(c(nc(-c3cc(ccc3)OCC(CNC)O)n2)NC4COCC4)C
+C1CN(CCO1)c2c(nc3c(cc(-c4c(cccc4C)C(c5nccnc5)O)cc3)c2)N
+C1CN(CCO1)c2c3n(c(-c4ccc(cc4)-c5[nH]nnn5)cn2)cc(n3)COc6ccc7c(cccc7)n6
+C1CN(CCO1)c2cc(C=C)ccc2F
+C1CN(CCO1)c2cc(CNCc3ccccc3)nc(n2)-c4cccc5[nH]ccc45
+C1CN(CCO1)c2cc(Oc3ccccc3)nc(-c4cc(ccc4)O)n2
+C1CN(CCO1)c2cc(c(cn2)-c3cc(c(OC(F)F)cc3)F)Nc4c(C)c(-c5ccccn5)nc6cc(F)cc(F)c46
+C1CN(CCO1)c2cc(c3nc(n(Cc4cccc(c4Cl)Cl)c3c2)C)Br
+C1CN(CCO1)c2cc(cc(c2F)C=O)CC
+C1CN(CCO1)c2cc(ccc2)Oc3cc(c(Nc4cc(OC)c(cc4F)F)nc3)F
+C1CN(CCO1)c2cc3c(C(=O)N(C)CC3c4ccc(cc4)Cl)s2
+C1CN(CCO1)c2cc3c(cc2)c4nc(cc(C(=O)N)c4[nH]3)-c5cc(cnc5)C
+C1CN(CCO1)c2cc3n(Cc4cccc(C)c4F)c(C)nc3c(c2)C(=O)O
+C1CN(CCO1)c2ccc(c(c2)F)Nc3c4ncnn4c(cn3)-c5c[nH]nc5
+C1CN(CCO1)c2ccc(c3c2sc(NC(Cc4ccccc4)=O)n3)OC
+C1CN(CCO1)c2ccc(cn2)Nc3[nH]nc(c3C(N)=O)NCc4ccc(cc4)O
+C1CN(CCO1)c2ccc3N(C(=O)C)C(C(C(Nc4ncc(cc4)C#N)c3c2)C)C5CC5
+C1CN(CCO1)c2nc(-c3c4c([nH]cc4)ccc3F)nc5ccc(CN6CC(C6)C7CCOCC7)nc25
+C1CN(CCO1)c2nc(-c3ccc(N)nc3)nc4cc(sc24)CN5CCC(CC5)C(=O)NC
+C1CN(CCO1)c2nc(-c3cccc4n[nH]cc34)nc5c2sc(c5)NC(=O)C
+C1CN(CCO1)c2nc(NC(=O)c3cnc4n3nc(cc4)-c5ccccc5OCC(CO)O)ccc2
+C1CN(CCO1)c2nc(Nc3ccc(cc3)C4(CCC4)C(OC)=O)nc5c2CCC5
+C1CN(CCO1)c2nc(cc(N)c2)N3CCC(CC3)O
+C1CN(CCO1)c2nc(nc3cc(sc23)CN(C(=O)C=C)C)-c4cc(ccc4)O
+C1CN(CCO1)c2nc(nc3ccc(CN4CCN(CC4)C(C)(C)C(N)=O)nc23)-c5cnc(N)cc5
+C1CN(CCO1)c2nc(nc3ccsc23)-c4ccc(C)c(N)c4
+C1CN(CCO1)c2ncc(cc2Nc3cc(nc4cc(cc(c34)F)F)-c5ccccn5)N6CCOCC6
+C1CN(CCO1)c2sc(-c3nc(NC(C)C)ncc3)c(-c4c(c(ccc4)NS(=O)(=O)c5c(F)ccc(c5)F)F)n2
+C1CN(CCP1(c2ccc(cc2)F)=O)Cc3ccccc3
+C1CN(CCS1(=O)=O)C(=O)c2ccc(OCc3c(noc3C)-c4ccc(cc4)F)nc2
+C1CN(CCS1(=O)=O)CCN(CCN2CCS(CC2)(=O)=O)S(=O)(=O)c3c([N+](=O)[O-])cccc3
+C1CN(CCS1)C(c2c3n(ccc3c(Nc4cccc(Cl)c4)nc2)C)=O
+C1CN(CCS1=O)C2CC(C2)n3cc(-c4cccc(OCC5OCCC5)c4)c6c(N)ncnc36
+C1CN(c2c3cc(ccc3ncn2)-c4cnc5c(c4)nc(C)[nH]5)c6ccccc6C1
+C1CN1c2cc(c(cc2[N+]([O-])=O)[N+]([O-])=O)C(NCCC(=O)OC)=O
+C1CN2CCC1C(C(CCc3ccc(cc3)CO)(O)c4ccccc4)C2
+C1CN2CCC1C(C2)OC(C(c3c4c(sc3)cccc4)Nc5cccc(c5)F)=O
+C1CN2CCC1C(NCCc3n(C)c4ccccc4c3)C2
+C1CN2CCC1C(OC(=O)C(Nc3ccccc3)c4cc(F)ccc4)C2
+C1CN2CCC1c3[nH]c4c(cccc4c3C2)-c5ccc(C)nc5
+C1CNC(CC1OC)c2ccccc2OC
+C1CNCCC1(Cn2ncc(-c3cnc(c(OC(C)c4c(ccc(F)c4Cl)Cl)c3)N)c2)O
+C1CNCCC1(O)C(=O)OC
+C1CNCCC1(OC)c2n(C)ccn2
+C1CNCCC1(c2ccc(cc2)Cl)C(C)(C)O
+C1CNCCC12CCC(CC2)OCCn3cncc3
+C1CNCCC12c3ccc(n3-c4c(O2)cc(COC(C)=O)cc4)C#N
+C1CNCCC1=C(c2cccnc2)c3ccc(cc3)F
+C1CNCCC1CCC(=O)c2cc3CCOc3cc2
+C1CNCCC1CCOc2c(cc3c(c2)nccc3Oc4ccc(c(Cl)c4)NC(NC5CC5)=O)C#N
+C1CNCCC1CN(c2cccc(Cl)c2)C(CC)=O
+C1CNCCC1COC2CC2
+C1CNCCC1N2C(=O)Nc3cc(Cl)ccc23
+C1CNCCC1N2CCc3c2cccc3
+C1CNCCC1OC(Nc2ccccc2C3CCCCC3)=O
+C1CNCCC1Oc2cc3c(cc2)ncn3-c4cc(c(C(N)=O)s4)OC(c5c(Cl)cccc5)C
+C1CNCCC1c2cc(c(cc2)Cl)C#N
+C1CNCCC1c2cc(nc(Nc3nccc(c3)C)c2)N(CCO)C
+C1CNCCC1n2cc(-c3ccc4c(CCC(C)N4C(C5CC5)=O)c3OC6CCC6)cn2
+C1CNCCC1n2ncc(c2)-c3c(c4c(cc3)N(C(C)CC4)C(OC)=O)OCCC
+C1CNCCN1C2CCCCCC2CC(OC)=O
+C1CNCCN1CC2CC2
+C1CNCCN1CCC2OCCc3ccccc23
+C1CNCCN1CCCCc2c3cc(F)ccc3[nH]c2
+C1CNCCN1CCOc2c(cc(F)cc2)F
+C1CNCCN1c2c(F)cc3C(=O)C(C(O)=O)=C4SC(C)N4c3c2F
+C1CNCCN1c2c(OC)ccc(S(=O)(=O)Nc3c(c(cc(c3)Cl)Cl)OC)c2
+C1CNCCN1c2c(cc(cn2)CC(CO)O)F
+C1CNCCN1c2c(cccn2)OC
+C1CNCCN1c2cc(ccc2)CN3C(CCCc4ccccc34)=O
+C1CNCCN1c2ccc3c(c(ccc3)Br)n2
+C1CNCCN1c2cccnc2-c3ccc(cc3)F
+C1CNCCN1c2cncc(n2)N(Cc3nc(C)ccc3)C
+C1CNCCN1c2nc(N)nc3-c4ccccc4OCCc23
+C1CNCCN1c2nc(c3nc(Cl)c(NCc4ccccc4)nc3n2)N5CCC5
+C1CNCCN1c2nc(cnc2)OC
+C1CNCCN1c2nc3c(nc(c(N4CCS(CC4)=O)n3)SCCC)c(N5CCOCC5)n2
+C1CNCCN1c2nc3ccc(Cl)cc3c4n2nnn4
+C1CNCCN1c2nc3ccccc3cn2
+C1CNCCN1c2ncc(Cl)cc2OC
+C1CNCCNCCN(CCN1)Cc2ccc(cc2)N
+C1COC(O1)(C)CC(Cc2ccccc2)N
+C1COC(O1)(C)CCC#CCCCC#N
+C1COC(O1)(C)c2ccc3noc(-c4ccccc4)c3c2
+C1COC(O1)(c2c(c(c(c(Cl)c2)F)I)OC(C)C(=O)OCC)C
+C1COC(O1)CCN(CCO)C(C)=O
+C1COC(O1)CCc2cc3nc(oc3cc2)Cc4cc5c(cc4)cccc5
+C1COC(O1)c2cccc3[nH]c(nc23)-c4ccccc4[N+]([O-])=O
+C1COC2(CCC(CC2)C(CN=[N+]=[N-])O)O1
+C1COC2(CCC(CC2)Nc3c(O)cc(Br)cc3)O1
+C1COC2(CCN(CC2)c3nc4c(c(NC)n3)nc(NCCC)nc4NC)O1
+C1COC2(O1)CC(NCC2)CN3CCCC3
+C1COC2(O1)CCC(CC2)CC#N
+C1COC2(O1)CCC(CC2)N3C(=O)C(Cc4sc(cc4)-c5c(C#N)cccc5)=C(CCC)n6c3ncn6
+C1COC2(O1)CCCC(CCCC(C)=O)(C)OC2
+C1COC2(O1)CCN(CC2)C(=O)Nc3nc4c(s3)c(C5CCOCC5)ccc4OC
+C1COC2(O1)CCN(S(=O)(=O)c3ccc(cc3)C#N)C2
+C1COC2(O1)COC(OC2)(CCOc3c(C)c(CS(c4nc5ccccc5[nH]4)=O)ncc3)CC
+C1COCCC1(C#N)c2cc(cc(c2)F)Sc3ccc4c(ccc5cnc(C)n45)c3
+C1COCCC1(C#N)c2nc(ccc2)Sc3cc4c(cc3)n5c(-c6ncccc6)nnc5cc4
+C1COCCC1(C)CNc2cccc(n2)Br
+C1COCCC1(CN)F
+C1COCCC1(O)c2cccc(n2)CN
+C1COCCC1(c2ccc(cc2)Cl)C(O)=O
+C1COCCC12c3ccncc3NC2=O
+C1COCCC1C(N)C
+C1COCCC1C(NC(Nc2ncc(cc2)Oc3ccnc(NC(=O)C)c3)=O)=O
+C1COCCC1C(c2n(Cc3ccccc3)cc(-c4c(ccc(F)c4)F)n2)N
+C1COCCC1CNC(=O)c2cnc(cc2)N3C(C(c4ccc(cc4C)C#N)C=N3)=O
+C1COCCC1CNc2c3ccccc3nc(Cl)c2N
+C1COCCC1Cn2c(nc3c2c4c(nc3N)cccc4)CCl
+C1COCCC1Cn2c3c(nc2C(C)(C)CC)cc(cc3)N
+C1COCCC1Cn2cnc3c2nc(Cl)cc3
+C1COCCC1N(C(N2C(=O)N(c3c(cccc3)Cl)N=N2)=O)CC
+C1COCCC1N(C)CCc2ccc3[nH]c(c(c3c2)C(OCc4ccccc4)=O)C
+C1COCCC1N(CC)Cc2cc(ccc2-c3ccccc3)C(=O)OCC
+C1COCCC1N(c2cccc3C(=O)NCc4c(nc(cc4C(C)CCCCc23)C)O)CC
+C1COCCC1N2CCN(C2=O)C(Nc3nc(c(Oc4cc(-c5ccc(C)nc5)ncc4)cc3)CC)=O
+C1COCCC1NC(=O)c2nn(c(OCc3c(onc3-c4ccccn4)C)c2)C
+C1COCCC1Nc2c3c(n(nc3)CC)nc(c2CNC(=O)c4ccc(cc4)CCCCCCCCN(CCO)C)CC
+C1COCCC1Nc2nc(ncc2N)-c3cnn4ccncc34
+C1COCCC1Nc2ncc3C=C(C(=O)N(C)c3n2)c4cc(-c5nnc[nH]5)ccc4C
+C1COCCC1Nc2ncc3C=C(c4cc(C(=O)NC5CC5)ccc4C)C(=O)N(C)c3n2
+C1COCCC1Oc2c3c(ccc2)C(c4c(cc(Nc5ccc(F)cc5F)cc4)CC3)=O
+C1COCCC1Oc2ncc(C(=O)N3CCCN(CC3)C4CCC4)cc2
+C1COCCC1S(=O)(=O)c2ccc(cc2)C(C(O)=O)Oc3ccc(cc3F)F
+C1COCCC1S(c2cc3c(nccc3Nc4ccc(Cl)c(OC)c4)cc2)=O
+C1COCCC1c2c(nccc2)Oc3ccc(cc3)N
+C1COCCC1n2c(ccn2)-c3cc(Br)c(cc3N)C
+C1COCCC1n2c3c(c(N4CCCc5c4cc(c(Br)c5)C#N)n2)CNCC3
+C1COCCC1n2nc(c3c(nccc23)O)-c4ccc(cc4)S(=O)(=O)N
+C1COCCN1C(=O)C2N(C(CN(C2)S(=O)(=O)c3ccc4c([nH]cc4Cl)c3)=O)CC5CCN(CC5)C=6C=CC(=O)N(C)N=6
+C1COCCN1C(=O)CN2N=Nc3c(C(=O)N)ncn3C2=O
+C1COCCN1C(=O)NC2(CCCCC2)C(NC(CCCC)C(O)C(=O)NCCCC)=O
+C1COCCN1C(=O)Oc2c(cccc2OCC=C)C(=O)C
+C1COCCN1C(=O)c2c(O)ccc(-c3cc4c([nH]nc4nc3)-c5ccccc5OC)c2
+C1COCCN1C(=O)c2ccc(cc2)-c3ccc(cc3)OCCCN4C(C)CCC4C
+C1COCCN1C(=O)c2cnc(c3ncn(c23)C)Nc4cccc(c4)Cl
+C1COCCN1C(C)(C)C(c2ccc(cc2)SCC=C)=O
+C1COCCN1C(c2ccc(OCc3c(noc3C)-c4ccncn4)nc2)=O
+C1COCCN1C(c2ccc(cc2)[N+]([O-])=O)C
+C1COCCN1C(c2cnc(cc2)Nc3cc(cc4cccnc34)Cl)=O
+C1COCCN1C2CCN(CC2F)c3cccc(-c4n(C)c5ccccc5n4)c3
+C1COCCN1C=2OC(c3cccc4Sc5c(ccc(c5)O)Sc34)=CC(C=2)=O
+C1COCCN1C=2c3ccccc3C(N(N=2)NC(=O)Cc4c(OC)cccc4)=O
+C1COCCN1CC#Cc2cc(cc(OCC(C)C)c2)Sc3cc(C)c(cc3C)OCC(O)=O
+C1COCCN1CC#Cc2n(C)c(c(-c3ccncc3)c2-c4ccc(cc4)F)C(=O)OC
+C1COCCN1CC(=O)Nc2cc(ccc2SC)C(Nc3ccc(-c4ccccc4F)nc3)=O
+C1COCCN1CC(=O)c2ccc(OCCC)c(c2)-c3nc(c4n(C)nc(c4n3)CCC)O
+C1COCCN1CC(COc2ccc(cc2)C=3C(c4c(OC=3)cc(OC)cc4)=O)O
+C1COCCN1CC(O)CN
+C1COCCN1CC(O)CN2CCc3c(C2=O)c(c([nH]3)C=C4c5cc(c(cc5NC4=O)NC(=O)CO)F)C
+C1COCCN1CC2Cc3ccccc3CN2
+C1COCCN1CCC(c2ccccc2N)=O
+C1COCCN1CCCN2C=3c4cc5OCOc5cc4C(C=3c6c(cc(c(OCCCN)c6)OC)C2=O)=O
+C1COCCN1CCCNC(=O)c2cccc(-c3cc(-c4cc(C)c(cc4)O)nc(O)n3)c2
+C1COCCN1CCCOc2cc3c(c(Oc4cc(n[nH]4)-c5cc(c(cc5)OC)OC)ncn3)cc2OC
+C1COCCN1CCCc2cccc(CCl)n2
+C1COCCN1CCOc2cc(c(Cl)cc2Cl)-c3nc(N)nc4c3cc(C(NCC)=O)s4
+C1COCCN1CCOc2ccc(cc2)C=Cc3n[nH]c(c3)C=Cc4ccc5cc[nH]c5c4
+C1COCCN1CCc2nc(C(C)Nc3ncnc4c3ncn4Cc5ccc(cc5)OC)cc6cccc(Cl)c26
+C1COCCN1CCc2sc3c(c2)c(N)nc(-c4cccc(C#N)c4)n3
+C1COCCN1CCn2c(C)c(c3ccc(cc23)Cl)C(=O)c4c5c(cccc5)c(cc4)C
+C1COCCN1Cc2c(F)cc(c(F)c2)Nc3nc(-c4cnc(C)n4C5CCOCC5)c(cn3)F
+C1COCCN1Cc2c(c(N)n3c(c(-c4cnc5ccccc5c4)cn3)n2)Br
+C1COCCN1Cc2c(nc(NC(=O)c3cnccc3)s2)-c4occc4
+C1COCCN1Cc2c[nH]cc2
+C1COCCN1Cc2cc(c(Nc3ccc(nc3)OC)nc2)-c4nc(nc(N)n4)C
+C1COCCN1Cc2cc3c(cc2)n(c(CN(C(=O)c4c(ccc(F)c4)F)CCC)n3)CCC
+C1COCCN1Cc2oc(-c3cc(-c4c5c(ccc4)[nH]cc5)cc6c3c[nH]n6)nn2
+C1COCCN1NC(=O)c2cc(n(Cc3cc(Cl)cc4cc(oc34)-c5ccc(cc5)Cl)n2)C
+C1COCCN1S(=O)(=O)c2c(C(N)=O)[nH]c3c2ccc(Br)c3
+C1COCCN1S(=O)(=O)c2cc(ccc2C)Nc3nc(-c4c(C)nc(s4)NC)c(cn3)C#N
+C1COCCN1c2c(C)cc(cc2)Nc3c4c(ccc(c4)-c5cccs5)ncn3
+C1COCCN1c2c(O)cc(cc2)Nc3nc(c4cn[nH]c4n3)-c5cccc(NC(C=C)=O)c5
+C1COCCN1c2c(cc(S(=O)(=O)NC)cc2)N
+C1COCCN1c2c(nc(s2)C)-c3ccc(cc3)OCCCCCOc4ccc(cc4)C#N
+C1COCCN1c2c(nnc(-c3c(C)ccc(c3)N)c2)OC
+C1COCCN1c2c3C4CCC(c3c5n(c(nn5)C)n2)C4
+C1COCCN1c2c3CCN(c4ncnc5cc(c(OC)cc45)OC)c3ccc2
+C1COCCN1c2c3c(cc[nH]3)nc(-c4cc(ccc4)O)n2
+C1COCCN1c2c3c4ccncc4[nH]c3ncn2
+C1COCCN1c2c3sc(CN4CCN(CC4)C)cc3nc(-c5cccc6[nH]ccc56)n2
+C1COCCN1c2c3sc(cc3nc(Cl)n2)CNC
+C1COCCN1c2cc(-c3c4c(ccc3)Sc5cc(NC(=O)CN(C)C)ccc5S4)nc(O)c2
+C1COCCN1c2cc(-c3cc(F)cc4c3cc[nH]4)nc(n2)-c5ccccc5
+C1COCCN1c2cc(N)c(C3=NCCN3)cc2
+C1COCCN1c2cc(c(c(SCC)n2)C(=O)NCc3cc(F)cc(c3)F)C
+C1COCCN1c2cc(c3c(n2)n(c(n3)C)Cc4cccc5ccccc45)C(=O)O
+C1COCCN1c2cc(ncc2)-c3nn(c(-c4ncoc4)n3)Cc5c(cccc5)F
+C1COCCN1c2cc3ncnc(Cl)c3cc2F
+C1COCCN1c2ccc(N)c(c2)[N+](=O)[O-]
+C1COCCN1c2ccc(cc2)C(C(C)(C)N3CCOCC3)=O
+C1COCCN1c2ccc(cc2)Nc3nc4c(c(n[nH]4)SC)c(n3)OCC
+C1COCCN1c2ccc(cc2)Nc3ncn(-c4ccnc(N5CC(C)N(C(C5)C)C(=O)C)c4)n3
+C1COCCN1c2ccc(cc2)Nc3ncnc(c3)N(C)C(Nc4c(Cl)cccc4Cl)=O
+C1COCCN1c2ccc3c(O)nnnc3c2
+C1COCCN1c2cnc3c(cc(C(=O)c4c(F)c(cc(F)c4F)N)cc3)n2
+C1COCCN1c2nc(-c3cc(ccc3)O)nc4n(C5CCN(CC5)Cc6ccccn6)nnc24
+C1COCCN1c2nc(N3CCC(F)C3)c(c(C)c2)[N+]([O-])=O
+C1COCCN1c2nc(S(C)=O)nc(-n3c4ccccc4nc3C(F)F)c2
+C1COCCN1c2nc(c(N)c(Cl)c2)OC
+C1COCCN1c2nc(nc(Nc3cn(CC#N)cn3)n2)NC(C)c4ncc(cn4)F
+C1COCCN1c2nc3c(ccc(C(c4cccc(NC(=O)Nc5cccc(F)c5)c4)=O)c3)nc2
+C1COCCN1c2nc3sc4c(ncnc4NCCN5CCOCC5)c3c6CC(C)(C)N(Cc26)C
+C1COCCN1c2ncnc3[nH]cc(c23)-c4cccc(c4)C#N
+C1COCCN1c2nn3cc(NC(c4c(cnn4C)C(N5CC(C5)F)=O)=O)ccc3n2
+C1CS(CCN1c2ncc(cc2)C#N)(=NC)=O
+C1CSC2(S1)c3c(c(C)cc(C(O)=O)c3C)CCC2
+C1CSCCN1C2(CC2)C(=O)N3C(C(NC4(CC4)C#N)=O)CC(S(=O)(=O)c5ccccc5Cl)C3
+C1CSCCN1c2ncc(cc2)CNC(c3ccc(cc3)-c4cc(F)ccc4)=O
+C1Cc2c(c(ccc2)NC(C)=O)C1=O
+C1Cc2c(ccc(F)c2Br)C(CC(=O)O)N1C(CN)=O
+C1Cc2cc(OC)ccc2Sc3cccc(C(Cl)=O)c13
+C1Cc2ccc(nc2NC1)CCC(N)=S
+C1N(C)CCCC1Cn2cc(-c3cc(C#N)ccn3)nc2
+C1N(CC1(C)O)CCc2nc3c(N4CCOCC4)nc(-n5c6c(nc5CC)cccc6)nc3n2C
+C1N(CC1(O)c2cc(cc(F)c2)Cl)CC
+C1N(CC1)C(=O)c2cnc(cc2)Oc3cc(C(Nc4nn(C)cc4)=O)cc(OC(C)COC)c3
+C1N(CC1)C(c2cnc(Oc3cc(cc(OC(C)COC)c3)C(=O)Nc4nn(cc4)CC)c(Cl)c2)=O
+C1N(CC1)C2=NC3C(O)C(O)C(CNC4CCCC4)OC3S2
+C1N(CC1)CCCCCn2c(nc3c(nc(nc23)OCCCC)N)OC
+C1N(CC1C(=O)N2CCCN(C3CCC3)CC2)C(CC)=O
+C1N(CC1C(=O)NC(C)C)c2nc(-c3cc(ncc3)Cl)cc4cnccc24
+C1N(CC1C(N2CC(C#C)CC2)=O)c3n4nccc4nc5CCN(CCc35)C
+C1N(CC1C(c2cc(F)cc(C(=O)OC(C)C)c2)C(C)(C)F)C(c3cccc(c3)C#N)c4ccc(cc4)Cl
+C1N(CC1CNc2c3sccc3nc(n2)Nc4cnn(C)c4)C(C=C)=O
+C1N(CC1N2CC(NCC2)=O)Cc3sc4nc(-n5c6ccccc6nc5CC)nc(N7CCOCC7)c4n3
+C1N(CC1N2CCN(CC2)C(=O)c3sccn3)C(=O)c4cc5CCN(c6ccc(cc6)F)c5cc4
+C1N(CC1NC)C(c2ccc(c(F)c2Nc3c(cc(cc3)I)F)F)=O
+C1N(CC1Nc2cncc(N3C(c4c(cc(cc4)Cl)C3(C)C)=O)c2)C(C)=O
+C1N(CC1O)C(=O)C2=C3CCCN3C(=O)C(F)=C2Nc4c(F)cc(I)cc4
+C1N(CC1O)CC(C(CC)C)N(C)C(c2cc(c(cc2)F)F)=O
+C1N(CC1Oc2ccc(cc2)Cl)CC3C(CCCC3)NC(=O)Nc4nnc(s4)CC
+C1N(CC1Oc2ncc(cc2)-c3cccc(OCCOC)c3)C(Nc4cnccc4)=O
+C1N(CC1SC(=O)C)c2scc(C(=O)NC3CN(CC3)C(=O)OCc4ccc(cc4)[N+]([O-])=O)n2
+C1N(CC1c2nc3ccccc3n2CC)c4nc(C)nc(-n5c(C)nc(C)n5)c4
+C1N(CC=C(COc2ccccc2I)C1)C
+C1N(CCC1COC(=O)Nc2c(cccc2)-c3cc(CO)ccc3)C
+C1N(CCCC=O)C(=O)CCCCC1
+C1N(CCc2ccnc3c2nc(OC)cc3)CCCC1CNCc4ccc5c(n4)NC(=O)CS5
+C1N(c2nc3c(ncnc3cc2)N)CCCC1NC(=O)CCOC
+C1N=C(c2cc(I)ccc2NC1=O)c3c(cccc3)Cl
+C1NCC1Cc2onc(-c3cc(NC(=O)c4n5ccccc5nc4)c(cc3)C)n2
+C1NCC2C(C)c3cc(Cl)c(cc3C12)OCc4cccc(F)c4
+C1NCCN(CCNCCNC1)CC(=O)NCc2nc3c(c4ccccc24)cccc3
+C1OC(CCC1)OCC(C)C=O
+C1OC(CCC1)OCC2Oc3c(N)cc(cc3CC2)F
+C1OC(CCC1)OCCn2c(nnn2)Br
+C1OC(CCC1)OCc2nnc(OC)c(CO)c2
+C1OC(OCC1)c2ccc3c(c(Cl)n[nH]3)c2
+C1OC2(CCC2)OCC1COc3c(C)c[n+]([O-])c(c3C)C
+C1OC2(OCC1(CO2)C(C)(C)C)CCCCCC#C
+C1OCC1N(C)Cc2n(C)nc(c2)NC3=CC(=CN(C)C3=O)Br
+C1Oc2c(C1=O)c3c(cccc3)cc2
+C1SC(SCC1)CCC#CCN(CC)CC
+C1c2c(C(C)CNC1C)cc(c(OCC=C)c2)Br
+C1c2c(CC1(c3cn(Cc4ccccc4)cn3)COC)cccc2
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCNC(=O)C)OC)OC
+C1c2c([nH]c3ccccc23)C(N(C(SC)=S)C1C(O)=O)CCC
+C1c2c(c(c(cc2Br)[N+]([O-])=O)OC)C(C1)=CC#N
+C1c2c(cc(cc2Cl)F)C(C1)(O)CC(=O)O
+C1c2c(ccc(OC)c2CC1)OCC(=O)c3sccc3
+C1c2c(cccc2F)NC(C(n3cc(-c4cc(OC)c(I)cc4)nn3)C1)=O
+C1c2c(nc(C(=O)O)s2)CC1
+C1c2cc(NC3CCCCC3N)nc(-c4cn(C)nc4)c2C(N1)=O
+C1c2cc(c(cc2CC13C(NC(=O)N3C)=O)N)N
+C1c2cc(nc(c2C(N1)=O)Nc3cc4c(c[nH]n4)cc3)NC5CCCCC5N
+C1c2ccccc2CC1(C(O)=O)NC(c3cc(OCCc4cc(C)ccc4)c(cc3)Br)=O
+C=1(C(=O)NC(=O)C=1c2cc(NC(CCO)C)ccc2)c3c4ccccc4n(C)c3
+C=1(C(N(C=C(C=1)Cc2ccc(cc2F)F)Cc3c(F)cccc3)=O)I
+C=1(O)c2c(N(C(=O)C=1C(C=Cc3cc(ccc3)NC(=O)COC)=O)C)nccc2
+C=1C(=O)C(OCCCCn2ccc3ccccc23)=COC=1COC4OCCCC4
+C=1N(C(C(C(=O)O)=CC=1)=O)C
+C=1c2c(nc(O)cc2)C(c3ccccc3C=1)=O
+C=C(C)CN1C(=O)N(C(C(N)=C1N)=O)C
+CC(=O)Nc1ccc2c(CCC(CO)O2)c1
+CC(=O)Nc1cccc(c1)-c2sc(nc2C(=O)OC)C
+CC(=O)c1ccc(OC)c(N(CCC)c2nc(-c3c(cc(cc3)OC)Cl)c(C)s2)c1
+CC(C(=O)OCCN(C)CCOC)=C
+CC(C)(Br)C(=O)OCCOCCOCCN=[N+]=[N-]
+CC(C)(Br)c1ccc2C(c3ccccc3C(c2c1)=O)=O
+CC(C)(C#Cc1cc2c(cc1)Oc3c(cc(cn3)-c4cnccc4)C25NC(=N)OC5)OC
+CC(C)(C#N)CCCC#N
+CC(C)(C#N)c1cc(C)c(C(C)NC(=O)Cn2c3c(cccc3nc2)F)cc1
+CC(C)(C#N)c1nc(ccc1)O
+CC(C)(C(=O)N=[N+]=[N-])c1cccc(c1)F
+CC(C)(C(=O)OC)NC(=O)c1ccc2c(nc3c(c2O)cccc3)c1
+CC(C)(C(=O)OCC)c1ccc(cc1)OCc2ccccc2C(OCC)=O
+CC(C)(C(=O)OCC)c1nsc2ccc(N)cc12
+CC(C)(C(C(n1cncn1)Oc2ccc(Cl)cc2Cl)=O)CF
+CC(C)(C(C)=O)c1cc(c(cc1)F)C#N
+CC(C)(C(C)NS(=O)(=O)c1ccc(cc1)-c2c3cc([nH]c3ncc2)C4CC4)O
+CC(C)(C(Cn1c(nc(C)c1)[N+]([O-])=O)=NO)Cl
+CC(C)(C(NC(=O)c1cc2ccc(cc2cc1)C#CC3C(C3)CO)C(OC)=O)N
+CC(C)(C(O)=O)CCCCOc1ccc(c(c1CCC)O)C(C)=O
+CC(C)(C(O)=O)c1cncc(-c2ccc3c(CCC(=O)N3C)c2)c1
+CC(C)(C(OC)=O)CC(c1ccc(cc1)-c2ccc(cc2)N)=O
+CC(C)(C(OC)=O)OCCCCCCCc1csc(n1)-c2ccccc2
+CC(C)(C(OCC)=O)Oc1ccc(cc1)OCCC2N(C(N(Cc3cc(C)c(C)cc3)C2)=O)C
+CC(C)(C(OCCCC)=O)c1cc(O)c2c(OC(C)(C)C3CCC(CC23)O)c1
+CC(C)(C(Oc1c(cnc(Cl)n1)I)C)OC2OCCCC2
+CC(C)(C)C#Cc1c2c(c(nn1)Nc3ccc(cc3)Oc4ccnc5c4ncc(c5)OC)cccc2
+CC(C)(C)C#Cc1cc(C)c(N=CN(C)C)cc1C
+CC(C)(C)C#Cc1cc(N(C(C)C)C(C2CCC(CC2)C)=O)c(C(=O)O)s1
+CC(C)(C)C#Cc1cc(N(C2CCC(CC2)=O)C(C3CCC(CC3)C)=O)c(s1)C(=O)OC
+CC(C)(C)C#Cc1ccc(cc1)CCS(=O)(=O)Nc2ccc(cc2S(=O)(=O)N)C
+CC(C)(C)C#Cc1sc(C(O)=O)c(N(C2CCOCC2)C(=O)c3ccc(cc3Cl)Cl)c1
+CC(C)(C)C(=Cc1c(Cl)cc(cc1)Cl)CBr
+CC(C)(C)C(=O)COc1c(C)cc(cc1)C(CC)(CC)c2ccc3cc(oc3c2)C(O)=O
+CC(C)(C)C(=O)COc1c(C)cc(cc1)C(CC)(CC)c2nc3cc(C(=O)OC)ccc3o2
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2nc3c(o2)cc(cc3)C(N(C)C)=O)cc1)C
+CC(C)(C)C(=O)N(C1CC(C#N)N(C(OC(C)(C)C)=O)C1)C2CCC(CC2)C
+CC(C)(C)C(=O)NCc1c(F)c(c(cc1)F)Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(OCC(F)F)cc3n2C
+CC(C)(C)C(=O)Nc1c(C=O)c(OC)c(cc1)Cl
+CC(C)(C)C(=O)Nc1c(c2c(C=CCO2)c(F)c1)C(=O)OC
+CC(C)(C)C(=O)Nc1c(ccc(OC)c1)-c2ccccc2
+CC(C)(C)C(=O)Nc1ccc(Cl)cc1C2Cc3c(cccc3)N2C(=O)C
+CC(C)(C)C(=O)Nc1nn(C)c(c1C#N)N
+CC(C)(C)C(=O)OC1=C(c2c(cc(c(c2)-c3ccc(cc3)Cl)F)C)C(NC14CCN(CC4)OC)=O
+CC(C)(C)C(=O)OCn1nc(N2C(C(C(O)C(Nc3ccc(cc3C(N)=O)I)=O)OCC2)=O)cc1
+CC(C)(C)C(=O)Oc1c(c(c(-c2nc(C(=O)N3CCC(CC3)Cc4ccccc4)sc2)cc1Br)O)Br
+CC(C)(C)C(=O)Oc1cc(CP(OCC)(OCC)=O)ccc1
+CC(C)(C)C(=O)Oc1ccc(cc1)C(c2sc(S(=O)(=O)N)cc2)=O
+CC(C)(C)C(=O)c1c2c(ncc(Nc3ccc(cc3)C=C(C(N)=O)C#N)n2)[nH]c1
+CC(C)(C)C(C(=O)N(C)C)NC(c1ccc(cc1)-c2cnc3n(n2)c(C4(CC4)c5ccc6ncsc6c5)nn3)=O
+CC(C)(C)C(C(=O)N1CCC2N(CC(c3c4ccc(cc4[nH]c3)F)C12)C5CCCC5)N
+CC(C)(C)C(C(=O)O)NC(=O)C(C1CCCCC1)NC(=O)c2cnccn2
+CC(C)(C)C(C(NC(C1CCCCC1)C(NC)=O)=O)N
+CC(C)(C)C(C(NNCc1ccccc1)=O)NS(=O)(=O)C
+CC(C)(C)C(C(OC(C)(C)C)=O)NCCNCc1ccccc1
+CC(C)(C)C(C)C(=O)N1CCC(CC1)c2c3c(ncc(NC(=O)c4cccc(C#N)c4)c3C)n(C)c2
+CC(C)(C)C(C)NC(Nc1cc(OC)cc(OC)c1)=C(S(=O)(=O)C)C#N
+CC(C)(C)C(COC)(COC)COC(C)(C)C(C)C
+CC(C)(C)C(COc1c(C)cc(cc1)C(CC)(CC)c2cc3sc(cc3cc2)C(O)=O)O
+CC(C)(C)C(COc1c(C)cc(cc1)C(CC)(CC)c2ccc(cc2)-c3nnn[nH]3)O
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2cc3cc(ccc3s2)OS(=O)(=O)C)C)=O
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2cc3ccc(OS(=O)(=O)C)cc3o2)C)O
+CC(C)(C)C(COc1ccc(cc1)F)(O)C(C)(F)n2cncn2
+CC(C)(C)C(COc1n(nc(C(NC(CCC(=O)OC(C)(C)C)C(O)=O)=O)c1)-c2ccccc2)=O
+CC(C)(C)C(N(c1ccc(cc1)CNc2c3c(CCN(C(C(F)(F)F)=O)CC3)ccc2Cl)C)=O
+CC(C)(C)C(N)C(N1CCC(N=[N+]=[N-])C1C(=O)NC(Cc2ccc3ccccc3c2)C(=O)OC)=O
+CC(C)(C)C(NC(=O)N1C(N(c2ccccc12)CCC(C)(C)O)=O)C(=O)N
+CC(C)(C)C(NC(=O)c1[nH]c2ccccc2c1)C(N3C4CC(C3)N(C4)C(=O)c5ccc(-c6c(F)cccn6)cn5)=O
+CC(C)(C)C(NC(=O)c1c2cccc(c2n(n1)Cc3ccc(cc3)C#N)F)C(=O)NCCO
+CC(C)(C)C(NC(=O)c1ccc([n+](c1)[O-])-c2c(c(F)cc(C(NC3CC3)=O)c2)C)C
+CC(C)(C)C(NC(C(NCC)C(C)(C)c1ccccc1)=O)C(N(C(C(C)C)C=C(C)C(=O)O)C)=O
+CC(C)(C)C(NC(Cc1ccc(C)c(F)c1)=O)n2c3ccccc3nn2
+CC(C)(C)C(NC(Nc1ncc(Oc2ccnc(NC(=O)N3CCN(CC3)Cc4ccccc4)c2)cc1)=O)=O
+CC(C)(C)C(NC(c1c2c(C3CC3C2)n(-c4nccc(C#N)c4)n1)=O)CO
+CC(C)(C)C(NC(c1ccc(c(OCC2CC2)n1)C3CC3)=O)CC(N)=O
+CC(C)(C)C(NC(c1ccc(cc1)-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)=O)C(O)=O
+CC(C)(C)C(NC(c1ccccc1C)=O)C(=O)N
+CC(C)(C)C(NCCC#Cc1c2CCNCCc2ccc1Cl)=O
+CC(C)(C)C(NCc1cc(C2=NN(C(=O)N2)c3c(F)cc(cc3)C#CC4CC4)c(Cl)cc1)=O
+CC(C)(C)C(NCc1ccc(Cl)c(Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(cc3n2C)OCC(F)F)c1)=O
+CC(C)(C)C(NS(=O)(=O)c1cc2c(c(Cl)cnc2Cl)cc1)C(OC(C)(C)C)=O
+CC(C)(C)C(NS(=O)(=O)c1ccccc1NC(=O)c2cc(ccc2)OCc3ccc(cc3)C(C)(C)C)=O
+CC(C)(C)C(Nc1c(-c2c(n(nc2C#N)CC)CC)ccc(c1)OC)=O
+CC(C)(C)C(Nc1c(C(O)c2c(cc(Cl)cn2)NS(=O)(=O)c3ccc(c(C(F)(F)F)c3)Cl)c(ccc1)OC)=O
+CC(C)(C)C(Nc1c(cnc(-c2c[nH]c3ncc(cc23)F)n1)F)Cn4cc(nn4)CO
+CC(C)(C)C(Nc1cc(ccc1)C=2NC(=O)c3n(c(C4CCCC4)nc3CC)N=2)=O
+CC(C)(C)C(Nc1nc(ncc1F)-c2c[nH]c3ncc(cc23)F)CC(=O)O
+CC(C)(C)C(Nc1nc(ncc1F)-c2c[nH]c3ncc(cc23)F)CS(=O)(=O)C
+CC(C)(C)C(Nc1ncc(-c2ccccc2)cc1-c3[nH]c4ccccc4n3)=O
+CC(C)(C)C(O)(C)C(=O)O
+CC(C)(C)C(O)C#Cc1ccc(cc1)C(CC)(CC)c2cc(C)c(OCc3ccccc3)cc2
+CC(C)(C)C(OC(CC)c1c2c(nc3N(CCCn23)c4c(Cl)cc(Cl)cc4)c(cc1)Cl)=O
+CC(C)(C)C(OC1=C(c2c(nc(cc2)Cl)Cl)C(N(c3nccnc13)CC(F)F)=O)=O
+CC(C)(C)C(Oc1c(-c2nnn[nH]2)cccc1)=O
+CC(C)(C)C1C(=C(C=2N=S(C)(c3cc(ccc3N=2)NS(=O)(=O)C)=O)C(N1Cc4cc(Cl)c(cc4)F)=O)O
+CC(C)(C)C1CCC(CC1)C(NC(CC)c2nnc(-c3cc(ccc3)[N+](=O)[O-])nc2O)=O
+CC(C)(C)C1CCC(CC1)CC(CN2CCCCC2)C
+CC(C)(C)C1CCC(CC1)Oc2ccc3c(c2)ccc(c3)CNC45CCC(CC4)(C(C5)O)C(=O)O
+CC(C)(C)C1CCC(CC1)Oc2cccc3cc(CNC4C(C)(C)C(C(O)=O)C4)ccc23
+CC(C)(C)C1CCC(CC1)c2cccc(NC(=O)Cc3ccc(c(OC)c3)OCCNCCO)c2
+CC(C)(C)C1CCC2(CC1)CC(CNC3CCCCC3)(O)CO2
+CC(C)(C)C1CCN(CC1)CCCNC(Nc2cc(N3C(=C(C)NC(C)=C3C(OC)=O)C(OC)=O)ccc2)=S
+CC(C)(C)C1CCc2c(cc3c(n2)sc(c3)C(NC(c4cccc(Br)c4)CN)=O)C1
+CC(C)(C)C1OCC=2c3c(C(OC=2C1)=O)scc3
+CC(C)(C)C=1ON(C(=O)C=1)c2ccc(cc2[N+]([O-])=O)S(=O)(=O)CCO
+CC(C)(C)CC(=O)N1CCC2(C(N(CC2)c3ccc(cc3)OC(F)(F)F)=O)CC1=O
+CC(C)(C)CC(=O)Nc1c(C)c2c(OCC2c3ccc(cc3)C(C)(C)O)c(c1C)C
+CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(n2-c3ccccc3)C(Nc4ccc(cc4)NC(OC(C)(C)C)=O)=O
+CC(C)(C)CC(Nc1c(N2CCCC2)nc(cc1)NCc3ccc4OCOc4c3)=O
+CC(C)(C)CC1NC(C(C12c3c(cc(cc3)Cl)NC2=O)c4cc(Cl)cc(c4)F)C(Nc5ccc(C(N)=O)cc5OC)=O
+CC(C)(C)CC1NC(C(NCCC(O)CO)=O)C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3
+CC(C)(C)CCC(=O)N1CCN(CC1)c2nccc(-c3noc(C)n3)c2
+CC(C)(C)CCCNCc1ccc(Oc2ncc(C(=O)N)nc2)c(OC)c1
+CC(C)(C)CCNC(N(N=O)CCCl)=O
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(nc3c(c2)cnc(c3)NC(=O)N(C)C)C)c1)F)=O
+CC(C)(C)CCNC(Nc1cc(-c2cc3cnc(NC)nc3nc2C)c(Br)cc1F)=O
+CC(C)(C)CCc1c(OCc2cccc(C(CC(=O)O)C3CC3)c2)ccc(-c4cc(ccc4F)OC)c1
+CC(C)(C)CCc1c(cc(C(C)=O)cc1)Cl
+CC(C)(C)CCc1c2c(c(C(=O)OCC)c(nc2ccc1)C)N
+CC(C)(C)CCc1ccc(cc1)S
+CC(C)(C)CCn1c2CCCC(=O)c2c3ccc(cc13)OC
+CC(C)(C)CN(C)c1c(c(ncn1)Nc2cc(C(NC)=O)ccc2C)NC(=O)C
+CC(C)(C)CN1C(=O)N(C)C(=O)C=C1N
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+CC(C)(C)CN1c2c(CN(C(CC(=O)NCc3c(F)cccc3)C1=O)C(c4ccnc(C#N)c4)=O)cccc2
+CC(C)(C)CN1c2ccc(cc2C(SC(Cc3nnn[nH]3)C1=O)c4cccc5ccccc45)Cl
+CC(C)(C)CNC(c1ccc(-c2cc(C(=O)NCC(O)C)cc(F)c2C)c(C(=O)N)c1)=O
+CC(C)(C)CNc1c(cnc(n1)C#N)C#CCN2Cc3ccccc3CC2
+CC(C)(C)CNc1n(nc(C)c1)C
+CC(C)(C)COC(=O)Nc1c(OC)cc(cc1)-c2c3c(n(C4CCCC4)c2)ncnc3N
+CC(C)(C)COC(c1cc(C#N)c(nc1C)N2CCC(CC2)C(=O)O)=O
+CC(C)(C)COS(=O)(=O)c1cc([N+]([O-])=O)ccc1C=Cc2ccc(cc2)[N+](=O)[O-]
+CC(C)(C)COc1cnc(N2NC=C(C2=O)n3nncc3)cc1
+CC(C)(C)Cc1c(ccc(n1)COc2cccc(c2)C(CC(=O)O)C3CC3)-c4cc(OC)ccc4F
+CC(C)(C)Cc1ccc(c(Br)c1)CC(C)C(=O)Cl
+CC(C)(C)Cc1ccc2C(=O)c3ccccc3C(c2c1)=O
+CC(C)(C)Cc1cn(c(n1)C=O)S(=O)(=O)N(C)C
+CC(C)(C)Cc1coc2cc(OCC=C)ccc12
+CC(C)(C)Cc1nc(COc2cc(cc(CCC(=O)O)c2)OC)ccc1-c3cc(ccc3F)OC
+CC(C)(C)Cc1nc2c(ccc(S(=O)(=O)C(C)C)c2)n1CC3CC3
+CC(C)(C)Cc1nc2cc(ccc2n1CC3CC3)CSC(C)C
+CC(C)(C)Cc1nnc(-c2ccc(cc2)[N+](=O)[O-])o1
+CC(C)(C)Cn1c(nc2cnc(nc12)C#N)CBr
+CC(C)(C)Cn1ccc2c(CCC)c(ccc12)O
+CC(C)(C)N(C(c1ccncc1)=O)NC(=O)c2ccccc2
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+CC(C)(C)NC(=O)CN1C(C(CC(c2c1cccc2)c3ccccc3)NC(=O)Nc4cccc(C)c4)=O
+CC(C)(C)NC(=O)Oc1ccc(cc1)CCOc2ccc(cc2)CC3SC(NC3=O)=O
+CC(C)(C)NC(=O)c1cnn2ccc(nc12)N3CCCC3c4cc(ccc4F)F
+CC(C)(C)NC(=S)N1CCC(CC1)OC(c2ccccc2Cl)c3ccc(cc3)Cl
+CC(C)(C)NC(CCC(N1CCC(CC1)N2c3c(cccc3)CCc4ccccc24)=O)=O
+CC(C)(C)NC(CN1C(=O)c2c(C)c(C(O)=O)sc2N=C1)=O
+CC(C)(C)NC(CN1C(=O)c2cc(ccc2C=C1c3cc(c(F)cc3)OC)OCCCN4CCCC4)=O
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+CC(C)(C)NC(N1Cc2c(C(=O)N)c(c(Br)n2CC1)-c3cc(ccc3)F)=O
+CC(C)(C)NC(c1c(-c2ccccc2C)cc(nc1)N3CCOCC3)=O
+CC(C)(C)NC(c1cc2c([nH]1)ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)=O
+CC(C)(C)NC1=C(C(=O)C1=O)Nc2c(C)cccc2O
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+CC(C)(C)NCC(COc1ccc(cc1)N)O
+CC(C)(C)NCC(O)COc1c(C2=NNC(=O)CC2)ccc(c1)C
+CC(C)(C)NCC(O)COc1cc(cc2c1cc(C(OCC)=O)[nH]2)C
+CC(C)(C)NCC(O)COc1ccccc1-c2ccc(nn2)Cl
+CC(C)(C)NCCCOc1c(C(=O)C=Cc2c3cc[nH]c3ccc2)cccc1
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)NCc3c(CO)c(OCc4cc(ccc4)C#N)c(nc3)C
+CC(C)(C)NS(=O)(=O)c1cc(S(=O)(=O)NC2CC2)ccc1
+CC(C)(C)NS(=O)(=O)c1cccc2c(nsc12)NCCCNC(c3ccc(cc3)-c4ccc(cc4)OC)=O
+CC(C)(C)NS(=O)(=O)c1ccccc1-c2ccc(-c3ncc(nc3)N)c(c2OC)F
+CC(C)(C)NS(=O)(=O)c1cn(C)c(c1)C(=O)Nc2cc(c(cc2)F)C#N
+CC(C)(C)NS(=O)(=O)c1cn(c(Br)c1)CC2CCCCC2
+CC(C)(C)Nc1c(N)ccc(Br)c1
+CC(C)(C)Nc1cc(nc([n+]1[O-])N)Cl
+CC(C)(C)Nc1nc(S(=O)C)c(C(=O)N)cn1
+CC(C)(C)Nc1nc(SC)ncc1C(=O)N
+CC(C)(C)Nc1nc2c(-c3[nH]c4c(C(NCC4)=O)c3Cl)cccc2nc1C
+CC(C)(C)Nc1nccc2c(-c3ccnc(NC4CCCC4)n3)c(nn12)-c5ccc(cc5)F
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+CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1CCC(=O)NCCOc2ccc(cc2)Cl
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+CC(C)(C)OC(=O)C1C(N(CC)c2c(CC1)cc(c(c2)OC)N3CCNCC3)=O
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+CC(C)(C)OC(=O)CCCCC1=Cc2c(ccc(c2)-c3noc(n3)C4Cc5c(C4)cccc5)C(=O)N1c6ccc(cc6)F
+CC(C)(C)OC(=O)CCCOc1cnc(nc1)NCc2cc(ccc2-c3cc(C(C)C)ccc3OC)C(F)(F)F
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+CC(C)(C)OC(=O)CNC(c1cc(Cl)c(cc1)NC(=O)OCc2ccccc2)=O
+CC(C)(C)OC(=O)CNc1ccc(cc1OCc2ccccc2)I
+CC(C)(C)OC(=O)COCCOCCN
+CC(C)(C)OC(=O)COCCOCCOCCOS(=O)(=O)c1ccc(cc1)C
+CC(C)(C)OC(=O)COc1c(Cl)ccc(c1)C(NCC(O)CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3C)=O
+CC(C)(C)OC(=O)COc1ccc(cc1)CNC(c2ncnc(c2)C(=O)NCc3ccc(c(C)c3)F)=O
+CC(C)(C)OC(=O)COc1ccccc1CC(c2c3ccccc3n(CCCCC)c2)=O
+CC(C)(C)OC(=O)Cc1cc(N2CCC3(CC2)C(=O)N(C(=O)N3CCc4ccc(cc4)OC)CC5CC5)ccc1
+CC(C)(C)OC(=O)Cn1cc(c2cc(NC(=O)C3CCC(F)(F)C3)ccc12)C(=O)C
+CC(C)(C)OC(=O)N(C(C)C(NC(C(N1C2C(CN(C2CC1)S(=O)(=O)C)C(O)=O)=O)C3CCCCC3)=O)C
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C(CCCBr)(C(=O)OC1CCCC1)C
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)Cc1c(cc(cc1OC)C(=NO)N)OC
+CC(C)(C)OC(=O)N(C)C(CCC#N)c1ccc(cc1)OCc2ccccc2
+CC(C)(C)OC(=O)N(C)C(Cc1ccccc1)CNC(=S)NC2CC2
+CC(C)(C)OC(=O)N(C)CCCCN(Cc1c(C)cc(cn1)C)Cc2nccc3c2cccc3
+CC(C)(C)OC(=O)N(C)CCOc1cccc2n(ccc12)S(=O)(=O)c3c(F)cccc3
+CC(C)(C)OC(=O)N(C)Cc1cc(F)c(C=NO)cc1
+CC(C)(C)OC(=O)N(C)Cc1cc([nH]c1)-c2ccccc2F
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)C(OCC)OCC
+CC(C)(C)OC(=O)N(C)Cc1cn(S(=O)(=O)c2cnccc2)c3c1ccc(c3)CO
+CC(C)(C)OC(=O)N(C)Cc1nc2c(cccc2Br)cc1
+CC(C)(C)OC(=O)N(C)c1cc(-n2c(N)c(cn2)C(=O)O)ncn1
+CC(C)(C)OC(=O)N(C)c1cncnc1-c2c(C)cccc2
+CC(C)(C)OC(=O)N(C1C(F)CN(C1)C(OCc2ccccc2)=O)C
+CC(C)(C)OC(=O)N(C1CC1)Cc2cc(Br)ccc2Cl
+CC(C)(C)OC(=O)N(C1CC=C(CC1)c2c3c([nH]c2)ccc([N+](=O)[O-])c3)CC
+CC(C)(C)OC(=O)N(C1CCC(CC1)C=O)C
+CC(C)(C)OC(=O)N(C1CCN(C1)c2c3nc(ccc3ncc2)OC)CCN
+CC(C)(C)OC(=O)N(C1CCN(CC1)CCN2c3cccc(c3C=CC2=O)OC)Cc4cc5OCCOc5cc4
+CC(C)(C)OC(=O)N(C1c2c(cc(cc2)C#N)OCC1)C
+CC(C)(C)OC(=O)N(CC(=O)OC(C)(C)C)c1nc(ccc1)C=NO
+CC(C)(C)OC(=O)N(CC(C(c1cccc2ccccc12)O)c3ccccc3)C
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+CC(C)(C)OC(=O)N(CCC(=O)OC)C(CC(N(C1CC1)Cc2cccc(c2Cl)Cl)=O)COCOC
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+CC(C)(C)OC(=O)N(Cc1ccc(cc1)-c2ccccc2)C3CC(CC3)C(=O)CCC=C
+CC(C)(C)OC(=O)N(Cc1ccc(cc1)F)CCc2c(cc(cc2)N)Cl
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+CC(C)(C)OC(=O)N(Cc1cnc(-c2cc3nccc(c3s2)Oc4ccc([N+]([O-])=O)cc4F)cc1)CCOC
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+CC(C)(C)OC(=O)N1C(CC(Nc2ccc(cc2[N+](=O)[O-])Br)C1)CO
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+CC(C)(C)OC(=O)N1C(CC2(CC2)C1)CO
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+CC(C)(C)OC(=O)N1C(c2cc(F)cc(F)c2)COCC1=O
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+CC(C)(C)OC(=O)N1C2CCCC2CC1CNC(=O)c3c(C)nc4n3ccs4
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+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N
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+CC(C)(C)OC(=O)N1CC(n2c3c(cnc4c3scc4)nc2C(C)O)CCC1
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+CC(C)(C)OC(=O)N1CC2C(C1)CN(C2)c3cncc(C(=O)Nc4ccc(cc4)Cl)c3
+CC(C)(C)OC(=O)N1CC2CC2(C1)c3ccc(cc3)NCc4ccccc4
+CC(C)(C)OC(=O)N1CC2c3c(cc(C(C)=O)cc3)C(C2)C1
+CC(C)(C)OC(=O)N1CCC(=CC1)c2c3cc(ccc3n(c2)S(=O)(=O)C)[N+](=O)[O-]
+CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(c3ccccc23)-c4ccc(cc4)[N+]([O-])=O
+CC(C)(C)OC(=O)N1CCC(C(O)C)C1
+CC(C)(C)OC(=O)N1CCC(C(O)C1)NC(=O)C2(CCCCC2)NC(=O)c3ccco3
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+CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)N)N
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+CC(C)(C)OC(=O)NCCC1(CCNCC1)O
+CC(C)(C)OC(=O)NCCCCCC(C)O
+CC(C)(C)OC(=O)NCCCCCn1cnc(-c2ccccc2)c1-c3ccccc3
+CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(N2CCN(CC2)C(OC(C)(C)C)=O)=O
+CC(C)(C)OC(=O)NCCCCS(=O)(=O)NC
+CC(C)(C)OC(=O)NCCCCn1c(nc2c[n+](c3cc(OCc4ccccc4)ccc3c12)[O-])CCOC
+CC(C)(C)OC(=O)NCCCN1c2c(cc3ccccc3c2)-c4nn(c(c4C1=O)C)C(OC(C)(C)C)=O
+CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2c(Cl)c(ccc2)Cl)c1O
+CC(C)(C)OC(=O)NCCCNc1scc(C(=O)c2c(cccc2)C)n1
+CC(C)(C)OC(=O)NCCCOCCOCCOCCCNC(c1ccc(cc1)C#CC#N)=O
+CC(C)(C)OC(=O)NCCN(C(=O)c1ccc(cc1)F)Cc2ccc(c(OC)c2)OCc3ccccc3
+CC(C)(C)OC(=O)NCCN(C(OC(C)(C)C)=O)C1CCC(CC1)(O)CC(=O)O
+CC(C)(C)OC(=O)NCCN(C(OC(C)(C)C)=O)C1CCNCC1
+CC(C)(C)OC(=O)NCCN(C)CCNC(CCC(=CCc1c(OC)c(C)c2c(C(OC2)=O)c1O)C)=O
+CC(C)(C)OC(=O)NCCN(Cc1cn(C2OCCCC2)nc1I)C
+CC(C)(C)OC(=O)NCCN1C(=O)c2c(C1)cc(cc2)Br
+CC(C)(C)OC(=O)NCCN1CCN(CC1)c2ccc(cc2)[N+]([O-])=O
+CC(C)(C)OC(=O)NCCNC(CC1CCCCC1)C(Nc2nccs2)=O
+CC(C)(C)OC(=O)NCCNS(=O)(=O)c1c2c(cc(-c3ccccc3)c1)cncc2
+CC(C)(C)OC(=O)NCCOCCNC(c1ccccc1O)=O
+CC(C)(C)OC(=O)NCCOc1ccc2c(c1)C(C(N3CCCC3)CC2)Cc4cc(c(cc4)Cl)Cl
+CC(C)(C)OC(=O)NCCc1ccc(cc1)NC(=O)CCl
+CC(C)(C)OC(=O)NCCc1ccc(cc1)NCc2ccccc2
+CC(C)(C)OC(=O)NCCn1nnc(C(OC)=O)c1
+CC(C)(C)OC(=O)NCc1c(c(CO)c(nc1CC(C)(C)C)C)-c2ccc(cc2)C
+CC(C)(C)OC(=O)NCc1cc(F)c(c(c1)F)Oc2cc(Oc3ccc(cc3)C#N)cc(C(=O)OCC)c2
+CC(C)(C)OC(=O)NCc1cc(F)c(cc1F)C#N
+CC(C)(C)OC(=O)NCc1ccc(CO)c(Cl)c1
+CC(C)(C)OC(=O)NCc1ccc(O)c(C(N)=O)c1
+CC(C)(C)OC(=O)NCc1ccc(cc1)N2C(OC(C2)C(N3CCN(CC3)CCC(=O)O)=O)=O
+CC(C)(C)OC(=O)NCc1ncc(CC(N2CCc3ccccc3C2)=O)c4c1cc(OC)c(OC)c4
+CC(C)(C)OC(=O)NNC(=O)c1cc(nc(c1)N(S(=O)(=O)C)C)N(CCOC)CC2C(C)C2
+CC(C)(C)OC(=O)NNC(OCCc1ccc(cc1)NC(=O)c2csc(NC(C)=O)n2)=O
+CC(C)(C)OC(=O)NOCC(NNC(=O)c1cc(cc(OCc2ccccc2)c1OCc3ccccc3)S(=O)(=O)O)=O
+CC(C)(C)OC(=O)Nc1c(C(Nc2c(ccnc2)N3CC(NC(=O)OC(C)(C)C)CCC3)=O)c4c(o1)cc(cn4)CC
+CC(C)(C)OC(=O)Nc1c(F)c(ccc1OCc2ccccc2)Br
+CC(C)(C)OC(=O)Nc1c(N)cc(-n2cccc2)c(OCCOC)c1
+CC(C)(C)OC(=O)Nc1c(N2C(CC(COCc3ccccc3)C2)=O)nn(C)c1
+CC(C)(C)OC(=O)Nc1c([N+]([O-])=O)cc2c(noc2c1)N
+CC(C)(C)OC(=O)Nc1c(c(C)c(s1)C(OCC2CCN(CC2)Cc3cnc(-c4ccccn4)s3)=O)C#N
+CC(C)(C)OC(=O)Nc1c(c(C)ccc1)C(=O)Nc2ccc(cc2)C
+CC(C)(C)OC(=O)Nc1c(cc(-c2cscc2)cc1)NC(=O)c3ccc(cc3)C(CNC(NC)=O)C(O)=O
+CC(C)(C)OC(=O)Nc1c(cc(c(N2CCCC2)c1)Cl)N
+CC(C)(C)OC(=O)Nc1c(cc2c(cc(cc2)OCc3ccccc3)c1)OCc4ccccc4
+CC(C)(C)OC(=O)Nc1c(nn(-c2cnccc2)c1)Cl
+CC(C)(C)OC(=O)Nc1c2c(ncn1)n(-c3cccc(c3)NC)c(c2-c4ccc(cc4)Cl)Cl
+CC(C)(C)OC(=O)Nc1cc(C)c(CNC(Cc2c(F)c(ccc2Cl)NCC(F)(F)c3ccccc3)=O)c(C)n1
+CC(C)(C)OC(=O)Nc1cc(C)cc(-c2ccncc2N=C=S)c1
+CC(C)(C)OC(=O)Nc1cc(N)c(CCOC(C)=O)c2ccccc12
+CC(C)(C)OC(=O)Nc1cc(Nc2c(cnc(n2)Nc3ccc(OCCOC)c(OCc4ccccc4)c3)F)ccc1
+CC(C)(C)OC(=O)Nc1cc(c(c(Cl)c1)CCc2n(-c3ccc(cc3)F)c(C(C)(C)c4cc(c(cc4)Cl)OC)cn2)F
+CC(C)(C)OC(=O)Nc1cc(ccc1)C=Cc2cc(OC)cc([N+](=O)[O-])c2
+CC(C)(C)OC(=O)Nc1cc2c(CCC2)s1
+CC(C)(C)OC(=O)Nc1cc2nc(n(CC(=O)O)c2cc1)CCC
+CC(C)(C)OC(=O)Nc1ccc(c(c1)CC(OCC)=O)Cl
+CC(C)(C)OC(=O)Nc1ccc(c(c1)CN(C)C)Br
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2scc(n2)C(Nc3ccc(cc3)-c4scc(C(OCC)=O)n4)=O
+CC(C)(C)OC(=O)Nc1ccc(cc1)CBr
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(=O)NC2=C(N(C(N(Cc3ccccc3F)C2=O)=O)CC4CC4)N
+CC(C)(C)OC(=O)Nc1ccc(cn1)-c2ccc(cc2)C(=O)O
+CC(C)(C)OC(=O)Nc1ccc2nc(cn2c1)-c3ccc(cc3)Br
+CC(C)(C)OC(=O)Nc1cccc(Nc2c(C(=O)C)cnc(SC)n2)c1
+CC(C)(C)OC(=O)Nc1cccc(OC)c1N
+CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1
+CC(C)(C)OC(=O)Nc1nccc(CCC(=S)N)c1
+CC(C)(C)OC(=O)Nc1nnc(-c2ccc3cnc(F)cc3c2)s1
+CC(C)(C)OC(=O)Nn1c(COCC)nc2c(Cl)nc(C)c(C)c12
+CC(C)(C)OC(=O)Oc1c(c(C=O)c(cc1)F)F
+CC(C)(C)OC(=O)c1c(CCc2ccccc2NC(OCc3ccccc3)=O)cccc1
+CC(C)(C)OC(=O)c1ccc(Cn2cc(C=O)c3c2cc(cc3)CC(NCC4CCCC4)=O)c(OC)c1
+CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(CN3CCC(CC3)CCC)=C(Cl)C=C(C2=O)Cl
+CC(C)(C)OC(=O)c1ccc(cc1)NCCN(S(=O)(=O)c2ncn(C)c2)Cc3ccccc3
+CC(C)(C)OC(=O)c1sc2nc(C)c(c(C)c2c1N)OCCN3CCOCC3
+CC(C)(C)OC(=O)n1c(-c2c(Cl)nc3ccccc3c2)cc4c1ccc(c4)C(=O)C
+CC(C)(C)OC(=O)n1c(C(=O)OC)cc2C(=O)CCc12
+CC(C)(C)OC(=O)n1c(c(cc1)C(=O)N(CC)CC)C
+CC(C)(C)OC(=O)n1c(ccc1-c2cc(OC(COC)C)cc(c2)Oc3ccc(cc3)S(=O)(=O)C)C(=O)OCC
+CC(C)(C)OC(=O)n1c2c(cc(-c3ccc(cc3)C#N)cc2)cc1
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(=O)OCC)Cl)CC#N
+CC(C)(C)OC(=O)n1c2c(cc(cc2cc1C(OC)=O)CN3C(=O)c4ccccc4C3=O)[N+]([O-])=O
+CC(C)(C)OC(=O)n1c2ccc(C)cc2cc1C#N
+CC(C)(C)OC(=O)n1cc(c2ccc(cc12)-c3cc([N+]([O-])=O)cc([N+]([O-])=O)c3)CC(OCC)=O
+CC(C)(C)OC(=O)n1ccc2c(ncnc12)N3CC4(CC4)N(S(=O)(=O)NC5CCC5)CC3
+CC(C)(C)OC(=O)n1ccnc1CCNC(c2ccccc2N)=O
+CC(C)(C)OC(=O)n1nc(NCC)c2cc(C3C(=C(C)NC(=C3C#N)C)C#N)ccc12
+CC(C)(C)OC(=O)n1nc(c2c(N)ccc(Cl)c12)Cl
+CC(C)(C)OC(=O)n1nc(cc1)CN2CC(C)NC(C2)C
+CC(C)(C)OC(C(=O)OC)c1c(-c2cc3CCCOc3cc2)sc(C)n1
+CC(C)(C)OC(C(C)(C)Oc1cc(ccc1C(c2ccc(cc2)O)=O)OC)=O
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)CNCc2ocnc2C)=O
+CC(C)(C)OC(C(C1C(CC)CCN1)N2CCCC2C(=O)NC(CCSC)C(=O)OC)=O
+CC(C)(C)OC(C(CC(C)C)Br)=O
+CC(C)(C)OC(C(CCCCl)=Cc1cc(c(-n2cc(nc2)C)cc1)OC)=O
+CC(C)(C)OC(C(CCN1C(N(C(=O)C=C1)C)=O)C(CCc2ccc(cc2)I)OCc3ccc(cc3)OC)=O
+CC(C)(C)OC(C(O)=O)c1c(nc2cc(nn2c1-c3cc(c4c(CCCO4)c3C)F)NC(=O)CCC5CCCC5)C
+CC(C)(C)OC(C(OC)=O)c1c(nc2c(Br)c(-c3ccccc3)nn2c1-c4cc(c5c(CCCO5)c4C)F)C
+CC(C)(C)OC(C(c1ccc(cc1)N2C(=O)c3cc(Br)ccc3C2)C)=O
+CC(C)(C)OC(C1(CC1)Cc2ccc(F)c(c2)NC(C(N3Cc4c(cccc4)CC3)C5=CCCC5)=O)=O
+CC(C)(C)OC(C1(CCOCC1)CN2CCC(CC2)CN)=O
+CC(C)(C)OC(C1CC2(CCC1(CC2)CN)CN)=O
+CC(C)(C)OC(C1CCC(N1C(CNC(Nc2cc(ccc2)C(C)C(O)=O)=O)=O)c3ccccc3)=O
+CC(C)(C)OC(C1CN(CC)C(=O)N1)=O
+CC(C)(C)OC(C1N(C(=O)C2N(C(C(NC(CSCCCCCCC)C(=O)OCC)C)=O)CCC2)CCC1)=O
+CC(C)(C)OC(C=1N(C)C(=O)c2n(ccc2C=1c3ccc(cc3)C)Cc4ccc5c(non5)c4)C(=O)O
+CC(C)(C)OC(C=Cc1ccc(cc1)Oc2c(sc3cc(ccc23)OC)-c4ccc(cc4)OC)=O
+CC(C)(C)OC(CC(=O)CC(C=CC(c1nnnn1C)=C(c2ccc(F)cc2C)c3ccc(F)cc3C)O)=O
+CC(C)(C)OC(CC(=O)CC(O)C=CC(=C(c1ccc(cc1F)C)c2ccc(cc2F)C)c3n(C)nnn3)=O
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2nc(no2)C(=O)NC)=O
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2onc(n2)CN(CCOC)C)=O
+CC(C)(C)OC(CC(N)COCOC)=O
+CC(C)(C)OC(CC(Nc1cc(Cl)c(cc1)C#N)CNCC)=O
+CC(C)(C)OC(CCCCCCCCCCCCCCCCC(=O)ON1C(CCC1=O)=O)=O
+CC(C)(C)OC(CCN1CCC(CC1)CNC2CC2c3scc(C(=O)Nc4sc(nn4)C)c3)=O
+CC(C)(C)OC(CN1CCN(CC1)C(c2ccccc2)c3cccc(C(F)(F)F)c3)=O
+CC(C)(C)OC(COCCOCCOCCOCCN)=O
+CC(C)(C)OC(CON=C(C(NC1C(N2C(C(O)=O)=C(CSC12)COC(=O)CC(=O)C)=O)=O)c3nc(sc3Br)N)=O
+CC(C)(C)OC(COc1c(C#Cc2cc(S(=O)(=O)C)ccc2O)cc(Cl)cc1)=O
+CC(C)(C)OC(COc1c(cc(cc1Cl)N)Cl)=O
+CC(C)(C)OC(COc1c2c(C(CCC2)NS(=O)(=O)c3ccc(cc3)-c4ccccc4)ccc1)=O
+CC(C)(C)OC(COc1cc(Br)cc(c1N)[N+]([O-])=O)=O
+CC(C)(C)OC(COc1ccc(cc1Br)CN(S(=O)(=O)c2cc(Cl)c(cc2)F)C)=O
+CC(C)(C)OC(COc1ccc(cc1COS(=O)(=O)C)Cl)=O
+CC(C)(C)OC(Cn1c2c(c(C3CCCCC3)c1[Si](C)(C)C)cc(cn2)C(=O)OC)=O
+CC(C)(C)OC(Cn1c2c(c(c(cc2)Cl)N)c(CC#N)c1)=O
+CC(C)(C)OC(Cn1c2c(c3ccccc13)CCN(C(=O)Nc4cc(ccc4)C)C2)=O
+CC(C)(C)OC(N(C(CC(=O)OCC)c1cccc(O)c1)C)=O
+CC(C)(C)OC(N(C)C1C(O)CCCC1)=O
+CC(C)(C)OC(N(C)C1CCC(c2ccc(cc12)C#CCCCOC)c3ccc(c(Cl)c3)Cl)=O
+CC(C)(C)OC(N(C)C1CCN(C(C2CC2)=O)C1)=O
+CC(C)(C)OC(N(C)C1c2c(C(c3ccc(c(Cl)c3)Cl)CC1)ccc(C(=O)NC4CC4)c2)=O
+CC(C)(C)OC(N(C)CCN1CCN(CC1)c2c(nccn2)Cl)=O
+CC(C)(C)OC(N(C)Cc1ccc(OC)c(N)c1)=O
+CC(C)(C)OC(N(C)Cc1cn(S(=O)(=O)c2cnccc2)c(c1)-c3cc(C#N)ccc3F)=O
+CC(C)(C)OC(N(C)c1ccc2c(n1)c(OC)ccc2Br)=O
+CC(C)(C)OC(N(C1C(CNC1)c2ccc(Cl)c(Cl)c2)C)=O
+CC(C)(C)OC(N(C1CCNCC1)CCP(OCC)(OCC)=O)=O
+CC(C)(C)OC(N(CC#C)CCNC(C)C)=O
+CC(C)(C)OC(N(CC(NCC)=O)CCCN1C(=CSC1=Nc2c(cc(cc2)Cl)OC)c3ccc(cc3)F)=O
+CC(C)(C)OC(N(CC(O)c1c(cc(cc1)[N+](=O)[O-])Br)CCO)=O
+CC(C)(C)OC(N(CC(OCC)=O)C1CC1)=O
+CC(C)(C)OC(N(CC1(c2ccccc2)CC1C=O)C)=O
+CC(C)(C)OC(N(CCC(C)C)CC)=O
+CC(C)(C)OC(N(CCCCN1CCN(CC1)c2cc(nc(n2)C(C)(C)C)C3CCC3)C)=O
+CC(C)(C)OC(N(CCCc1ccc2CCCNc2n1)CC(=O)N(C)OC)=O
+CC(C)(C)OC(N(CCN(C(=O)Oc1ccc(cc1)OC)CC)CC)=O
+CC(C)(C)OC(N(CCN(Cc1c(-c2ccc(cc2)NC(C(=C)C)=O)nn(C3OCCCC3)c1)C)C)=O
+CC(C)(C)OC(N(CCO)C1CCC(CC1)N(C)C)=O
+CC(C)(C)OC(N(CCOC)Cc1n(c(nc1)-c2cc3c(s2)c(Oc4ccc(N)cc4F)ccn3)C)=O
+CC(C)(C)OC(N(CCc1ccc(cc1)-c2cc(CC(C)C)c(cc2)C(O)=O)CC(O)c3cccnc3)=O
+CC(C)(C)OC(N(CCn1cnc(-c2cc3c(c(Cl)ccn3)s2)c1)CCOC)=O
+CC(C)(C)OC(N(Cc1c(cccc1)N)C(C)C)=O
+CC(C)(C)OC(N(Cc1cc(cc(c1O)F)[N+](=O)[O-])C)=O
+CC(C)(C)OC(N(Cc1cc(ccc1)N)C(C)C(F)c2ccccc2)=O
+CC(C)(C)OC(N(Cc1cc(ccc1Oc2cc(Cl)c(cc2)Cl)Br)C)=O
+CC(C)(C)OC(N(Cc1ccccc1)CC(=O)Nc2ccc(cc2)-c3nc(sc3)N(C)C)=O
+CC(C)(C)OC(N(Cc1cn(S(=O)(=O)c2cnccc2)c(c1)-c3cccc(CO)c3F)C)=O
+CC(C)(C)OC(N(Cc1ncccc1)C)=O
+CC(C)(C)OC(N(Cc1sc(C(=O)O)cc1)C)=O
+CC(C)(C)OC(N(NC(=O)OC(C)(C)C)c1ccc2n(c(-c3occn3)cc2n1)Cc4ccccc4)=O
+CC(C)(C)OC(N(c1c(CC)nn2c(cccc12)Br)CC3CC3)=O
+CC(C)(C)OC(N(c1c(NC(COc2ccc(cc2)CC3SC(=O)NC3=O)=O)ccc(SC)c1)C)=O
+CC(C)(C)OC(N(c1cc([N+]([O-])=O)ccc1O)C)=O
+CC(C)(C)OC(N(c1ccc(I)cc1F)C=2N(C)C(=O)C=CC=2NS(=O)(=O)C3(CC3)CCO)=O
+CC(C)(C)OC(N(c1ccc(cc1)C2CCCCC2)Cc3ccc(cc3)C(=O)NCC(C(=O)OC)O)=O
+CC(C)(C)OC(N(c1nc(c2c(cc[nH]2)n1)Oc3c(cc(cc3C)Br)C)c4ccc(cc4)C#N)=O
+CC(C)(C)OC(N1C(C(N2C(C#N)CCC2)=O)C3CC1C(OCC(N)=O)C3)=O
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3ccc(CN(C)C)nc3)=O
+CC(C)(C)OC(N1C(CN(CC1)c2ccc(N)c(n2)C)C)=O
+CC(C)(C)OC(N1C(CN(c2nccnc2OCCO)CC1)C)=O
+CC(C)(C)OC(N1C(COC)CN(C(=O)c2cc(OC)c(c(c2)OC)OC)CC1)=O
+CC(C)(C)OC(N1C(Cc2cc([N+](=O)[O-])ccc2C1)C(O)=O)=O
+CC(C)(C)OC(N1C2(COCCOC2)C(=O)N(CC(=O)O)C(c3cc(F)ccc3)C1)=O
+CC(C)(C)OC(N1C2C(C2)CC1c3[nH]c4c(n3)ccc5cc(ccc45)Br)=O
+CC(C)(C)OC(N1C2CC(CC1CC2)C=O)=O
+CC(C)(C)OC(N1CC(=C)CC1COC(=O)c2ccc(cc2)[N+](=O)[O-])=O
+CC(C)(C)OC(N1CC(C(=O)N(CC(C)C)Cc2cc3c(OCCCO3)c(Cl)c2)CC1)=O
+CC(C)(C)OC(N1CC(C1)CCOc2cccc(Oc3ccc(cc3)Cl)c2)=O
+CC(C)(C)OC(N1CC(C1)Cn2nccc2)=O
+CC(C)(C)OC(N1CC(C1)N2CCN(CC2)C(CNc3cc(c(cc3OC)Cl)C4CCC4)=O)=O
+CC(C)(C)OC(N1CC(C1)Oc2c(OCc3nc(C)no3)ccc(Cl)c2)=O
+CC(C)(C)OC(N1CC(C1)Oc2c(ncnc2-c3c(c(cc(F)c3)NC(c4c(cc(C5CC5)cc4)F)=O)C)N)=O
+CC(C)(C)OC(N1CC(CC(N(C(c2nc3c(cccc3)n2CCCCOC)=O)CC(C)C)C1)c4onc(C)n4)=O
+CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O
+CC(C)(C)OC(N1CC(CC1)NC(=O)c2cc3nccc(c3s2)Oc4ccc(N)cc4F)=O
+CC(C)(C)OC(N1CC(CC1C(=O)Nc2ccc(cc2)N3C(=O)COCC3)N=[N+]=[N-])=O
+CC(C)(C)OC(N1CC(CNC(=O)c2ccccc2)CC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C1)=O
+CC(C)(C)OC(N1CC(F)(F)C(CCO)CC1)=O
+CC(C)(C)OC(N1CC(N(CC(C)C)C(=O)c2nc3c(cccc3)n2CCCCOC)CC(C1)C=4NOC(=O)N=4)=O
+CC(C)(C)OC(N1CC(N(CC1)C)c2nc(no2)-c3ccc(cc3)F)=O
+CC(C)(C)OC(N1CC(N(CC1)c2c3c(COC3C)ncn2)C)=O
+CC(C)(C)OC(N1CC(NC(=O)COCCN(C)C)CC1)=O
+CC(C)(C)OC(N1CC(NC(=O)c2ccc(s2)Cl)CC1CNC(=O)C)=O
+CC(C)(C)OC(N1CC(Nc2c3c(Cl)cccc3cc(n2)C=4NNC(=O)N=4)CC1)=O
+CC(C)(C)OC(N1CC(OC)c2cc(ccc2C1)OCC3CC3)=O
+CC(C)(C)OC(N1CC(c2ccc(c(Cl)c2)Cl)C(C(O)=O)C1)=O
+CC(C)(C)OC(N1CC(c2ccc(cc2)N)SCC1)=O
+CC(C)(C)OC(N1CC2(C1)CC(C2)n3ncc(-c4cc(OC(C)c5c(ccc(F)c5Cl)Cl)c(nc4)N)c3)=O
+CC(C)(C)OC(N1CC2(C1)OCc3c2cnc(C4=NOC(C(F)(F)F)(c5cc(Cl)c(c(Cl)c5)F)C4)c3)=O
+CC(C)(C)OC(N1CC2CC(=O)Nc3cc(Br)ccc3N2CC1)=O
+CC(C)(C)OC(N1CCC(C(COc2ccc(cc2C#N)SCc3ccccc3)C1)c4ccc(cc4)Cl)=O
+CC(C)(C)OC(N1CCC(C(F)(F)C1)CNc2nc(ncc2C=O)SC)=O
+CC(C)(C)OC(N1CCC(C1)C2OC2)=O
+CC(C)(C)OC(N1CCC(CC1)(C#N)c2cc(ccc2)F)=O
+CC(C)(C)OC(N1CCC(CC1)(C)N2CCC(CC2)NC3C(CC#N)CCCC3)=O
+CC(C)(C)OC(N1CCC(CC1)(CCCNc2ccc(nc2C)N3CC(CC3)N4CCCC4C)C(=O)OCC)=O
+CC(C)(C)OC(N1CCC(CC1)(F)CNC(N)=S)=O
+CC(C)(C)OC(N1CCC(CC1)(N2CCC(CC2)NC3CCCCC3N)C)=O
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(Br)cc(c3OC)C)=O
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(cc(c3)Br)F)=O
+CC(C)(C)OC(N1CCC(CC1)=C(c2ccc(cc2)C(N(CC)CC)=O)c3c(O)cccc3)=O
+CC(C)(C)OC(N1CCC(CC1)C#Cc2c(nc(C)nc2Cl)N)=O
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CCCC(C2)C(NC(C#C)CC(=O)OCCCCC)=O)=O)=O
+CC(C)(C)OC(N1CCC(CC1)COC(C(c2cccc(c2)O)(c3ccccc3)O)=O)=O
+CC(C)(C)OC(N1CCC(CC1)COc2cccc(Oc3c(N)cc4c(c3)N(C(=O)N4C)C)c2)=O
+CC(C)(C)OC(N1CCC(CC1)N(C)C(c2ccc3c(non3)c2)=O)=O
+CC(C)(C)OC(N1CCC(CC1)N(C2(CC2)C3CCN(C3)Cc4ccccc4)Cc5ccccc5)=O
+CC(C)(C)OC(N1CCC(CC1)N2c3c(cccc3)N(CCN(C)C)C2=O)=O
+CC(C)(C)OC(N1CCC(CC1)NC2CCCCC2CN=[N+]=[N-])=O
+CC(C)(C)OC(N1CCC(CC1)Nc2c(c(cc(OC)c2)F)N)=O
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)O)ccn2)=O
+CC(C)(C)OC(N1CCC(CC1)Nc2ccccc2CN)=O
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(ccn2)N(C)c3cc4n(C)cnc4c(c3)-c5ccccc5)=O
+CC(C)(C)OC(N1CCC(CC1)Nc2oc(-c3ccc(cc3)F)cn2)=O
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc3CC4(CCN(CC4)Cc5ccccc5)Cc3c2)=O
+CC(C)(C)OC(N1CCC(CC1)Oc2nnc(c(-c3cc(-c4occn4)c(cc3)OC5CCCCC5)c2)CCCC)=O
+CC(C)(C)OC(N1CCC(CC1)n2cnc3cnccc23)=O
+CC(C)(C)OC(N1CCC(CC1C(OC2CCCC2)=O)N)=O
+CC(C)(C)OC(N1CCC(Nc2c3c(ccc(F)c3)cc(C(N)=NN)n2)C1)=O
+CC(C)(C)OC(N1CCC(n2c(c(-c3ccc(cc3)Oc4ccccc4)c5c(N)ncnc25)C(=O)N)C1)=O
+CC(C)(C)OC(N1CCC1COc2cnc(Cl)c(c2)CC)=O
+CC(C)(C)OC(N1CCC2(CC1)CC(C(O)=O)=NO2)=O
+CC(C)(C)OC(N1CCC2(CC1)ON=C(C2)Cc3ccccc3)=O
+CC(C)(C)OC(N1CCC2(CCCN2c3cnccc3)C1)=O
+CC(C)(C)OC(N1CCC2C(c3c(scc3)C2)C1)=O
+CC(C)(C)OC(N1CCCC(C1)c2c3c(NC(=O)NC3=O)nc(-c4c(cccc4)OCc5ccccc5)c2)=O
+CC(C)(C)OC(N1CCCC(F)(C1)CNc2nc(cc3c2cccn3)-c4cn(nc4)CC)=O
+CC(C)(C)OC(N1CCCC(N(C(=O)CC)c2ccccc2)C1)=O
+CC(C)(C)OC(N1CCCC(c2cc(-c3c(cccc3O)OCc4ccc(cc4)C)nc(N)n2)C1)=O
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCC#Cc3ccc(cc3)Br)=O
+CC(C)(C)OC(N1CCCC2(CO2)CC1)=O
+CC(C)(C)OC(N1CCCC2C1CN(C2)c3c(cc4C(=O)C(=CN(C5C(F)C5)c4c3Cl)C(O)=O)F)=O
+CC(C)(C)OC(N1CCN(CC1)C(NO)=N)=O
+CC(C)(C)OC(N1CCN(CC1)C(c2c(cccc2)F)CNCC(CC)CC)=O
+CC(C)(C)OC(N1CCN(CC1)C(c2cc(nc3c2c(nn3C4CCCCO4)I)Cl)=O)=O
+CC(C)(C)OC(N1CCN(CC1)CCCC(c2c3cc(ccc3[nH]c2)F)=O)=O
+CC(C)(C)OC(N1CCN(CC1)CCCCNC(c2cc3cnccc3[nH]2)=O)=O
+CC(C)(C)OC(N1CCN(CC1)CCCCc2cn(c3c(nc(CCCC)nc23)N)COCc4ccccc4)=O
+CC(C)(C)OC(N1CCN(CC1)CCCNc2ncc(c(-c3cc4ccc(cc4s3)C(NC)=O)n2)C)=O
+CC(C)(C)OC(N1CCN(CC1)CCOC(=O)CCC(O)=O)=O
+CC(C)(C)OC(N1CCN(CC1)Cc2c(ccc3C(C(Oc23)=Cc4cn(c5ccccc45)S(=O)(=O)C)=O)O)=O
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)C(C=Cc3cnc(C=CC(=O)O)cc3)=O)=O
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)Nc3c(c(nc(n3)N4CCOCC4)C=CN(C)C)C(OCC)=O)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(Cl)c(Cl)ncc2)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(N3C(=O)OC(CN=[N+]=[N-])C3)cc2)F)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(nc3c(n(cc3)C)c2)C(Nc4c(C#N)c(CC)nc(N)n4)C)=O
+CC(C)(C)OC(N1CCN(CC1)c2cc(NC(CNc3cc(c(cc3)F)F)=O)c(cc2)Cl)=O
+CC(C)(C)OC(N1CCN(CC1)c2cc(cc(C)n2)OCC)=O
+CC(C)(C)OC(N1CCN(CC1)c2ccc(Nc3ncc4c(C)c(n(C5CCCC5)c4n3)C(=O)NNC(=O)C)nc2)=O
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)OCC(C)(CCn3c(Cl)nc([N+](=O)[O-])c3)O)=O
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2C(O)=O)F)=O
+CC(C)(C)OC(N1CCN(CC1)c2ccc3c(c(nn3CC(C)C)S(=O)(=O)c4c5c(ccc4)cccc5)c2)=O
+CC(C)(C)OC(N1CCN(CC1)c2cncc(OCc3ccccc3)c2)=O
+CC(C)(C)OC(N1CCN(CC1)c2nc(N)c(cc2)Br)=O
+CC(C)(C)OC(N1CCN(CC1)c2ncc(Br)n3c2nnc3)=O
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cc2Cl)C(=O)C3CC3)=O
+CC(C)(C)OC(N1CCN(CC1)c2ncnc(NCC(=O)OCC)c2N)=O
+CC(C)(C)OC(N1CCN(CC1)c2ncnc3n(c(Cl)nc23)C)=O
+CC(C)(C)OC(N1CCN(CC1)c2nnc(Nc3nc4c(cn3)cc(C(N(C)C)=O)n4C5CCCC5)cc2)=O
+CC(C)(C)OC(N1CCN(CC2(CCN(CC2)c3ncncc3)O)C(=O)C1)=O
+CC(C)(C)OC(N1CCN(Cc2c(ccc(OS(=O)(=O)C)c2)Cl)C(C1)=O)=O
+CC(C)(C)OC(N1CCNC2C(O)CCCC12)=O
+CC(C)(C)OC(N1CCc2c(C1)c3c(n2C)c(Sc4ccc(cc4)C)ccc3)=O
+CC(C)(C)OC(N1CCc2c(CC1)oc(Br)c2)=O
+CC(C)(C)OC(N1CCc2c(c3N(CCCc3cc2CC1)C(=O)C(C)C)Cl)=O
+CC(C)(C)OC(N1CCc2c(cc(-c3ccccc3)s2)C1)=O
+CC(C)(C)OC(N1CCc2ccc(C(OCC3CCN(CC3)c4ccncc4)=O)cc2C1)=O
+CC(C)(C)OC(N1CCc2ccc(c(C)c12)NC(NCCN)=S)=O
+CC(C)(C)OC(N1CCc2n(CCNC(=O)c3ccccc3)c4ccccc4c2CC1)=O
+CC(C)(C)OC(N1CCn2c(C1)c(C=O)c3cc(OC)ccc23)=O
+CC(C)(C)OC(N1Cc2c(C1)c(Cl)sc2Cl)=O
+CC(C)(C)OC(N1Cc2c(cccc2C1)C#N)=O
+CC(C)(C)OC(N1Cc2c(nc(nc2C1)N3CCOCC3C)-c4ccc(cc4)NC(NCCO)=O)=O
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C=CC(=CC4=O)OCc5ccccn5)=O
+CC(C)(C)OC(N1Cc2n(CC1)c(Cl)cc2C(N)=O)=O
+CC(C)(C)OC(N1c2cc(Cl)ccc2C(=Cc3cc(ccc3OC(CCC)(CCC)C(=O)OCC)Cl)C1=O)=O
+CC(C)(C)OC(N=C1NC2(COC(CC2CS1)CO)c3c(F)ccc(N)c3)=O
+CC(C)(C)OC(N=C1SCC2C(COC2C)(c3c(F)ccc(c3)Br)N1)=O
+CC(C)(C)OC(NC(C(=O)C=C)CC1CCCC1)=O
+CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C)C2CCC(CC2)N(C)C(=O)C)=O
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2c(N(S(=O)(=O)C)C)cccc2)Cc3ccc(cc3)Cl)=O
+CC(C)(C)OC(NC(C(=O)O)C(C)(C)SCc1ccccc1)=O
+CC(C)(C)OC(NC(C(=O)OC)(CF)Cc1cccc(c1)O)=O
+CC(C)(C)OC(NC(C(=O)OC)CSCc1ccc(cc1)-c2cc(ccc2)CN3c4cc(ccc4CCC3)C(F)(F)F)=O
+CC(C)(C)OC(NC(C(=O)OC)Cc1ccc(cc1)C2=CC(Cl)=CN(Cc3ccccc3)C2=O)=O
+CC(C)(C)OC(NC(C(=O)OC1CCCC1)CCOc2cccc(c2)[N+]([O-])=O)=O
+CC(C)(C)OC(NC(C(CN(Cc1cc(ccc1)C(C)C)C(OCc2ccccc2)=O)O)Cc3cc(ccc3)CC=C)=O
+CC(C)(C)OC(NC(C(N)=O)CCOc1ccc(cc1)CCCCNC(OCc2ccccc2)=O)=O
+CC(C)(C)OC(NC(C(NCC(OCC)=O)=O)CCl)=O
+CC(C)(C)OC(NC(C(NCc1nc(c2c(cccc2)n1)N(c3ccc(cc3)OC)C)=O)C)=O
+CC(C)(C)OC(NC(C(Nc1ccc(cc1)CC(NC(c2c(cccc2Cl)C)=O)C(OC)=O)=O)CC(C)C)=O
+CC(C)(C)OC(NC(C(Nc1ncccc1C(C2CCCCC2)=O)=O)c3sccc3)=O
+CC(C)(C)OC(NC(C(O)=O)Cc1c2c(cccc2)n(c1)CC(OCC)=O)=O
+CC(C)(C)OC(NC(C(OCc1ccccc1)=O)Cc2cc(OC)c(O)cc2)=O
+CC(C)(C)OC(NC(C)(C)CN(c1ccccc1C)C(=O)CBr)=O
+CC(C)(C)OC(NC(C)(C)COc1ccc(cc1)C=O)=O
+CC(C)(C)OC(NC(C)C=1N(C(c2c(cccc2N=1)Cl)=O)c3ccccc3)=O
+CC(C)(C)OC(NC(C1CCCCC1)C(=O)NC(C(=O)N)Cc2cnccc2)=O
+CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O
+CC(C)(C)OC(NC(C=O)C(C)C)=O
+CC(C)(C)OC(NC(CC(=O)N(OC)C)C1CCCCC1)=O
+CC(C)(C)OC(NC(CC(O)=O)Cc1c(F)ccc(c1)F)=O
+CC(C)(C)OC(NC(CC)C(O)c1nc2c(o1)cccn2)=O
+CC(C)(C)OC(NC(CCC(SC(C)=O)CNC(=O)OCc1ccc(cc1)[N+](=O)[O-])C(OC)=O)=O
+CC(C)(C)OC(NC(CCC=CC(OCC)=O)C(NC=1C(N(CC(=O)NCC(CC)CC)C=CC=1)=O)=O)=O
+CC(C)(C)OC(NC(CCCSC(C)=O)C(OC(C)(C)C)=O)=O
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+CC(C)(C)OC(NC(CN)CC)=O
+CC(C)(C)OC(NC(CNC(=O)C1CC(CN1)O)CCCCNC(=O)OC(C)(C)C)=O
+CC(C)(C)OC(NC(COC(F)F)C(=O)NCc1ccc(cc1)F)=O
+CC(C)(C)OC(NC(COC)CNc1cc(c(C(OC)=O)c(Nc2cc(ccc2)C)n1)C#N)=O
+CC(C)(C)OC(NC(Cc1cc(CCl)ccc1)C(=O)N(c2ccc(cc2)OC)C)=O
+CC(C)(C)OC(NC(Cc1ccc(c(F)c1)Cl)C(N2CCN(CC2)c3c4c(ncn3)CSC4CC)=O)=O
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2ccc(cc2)Cl)CNO)=O
+CC(C)(C)OC(NC(Cc1ccccc1)(C)C=NO)=O
+CC(C)(C)OC(NC(Cc1ccccc1)C(CC(Cc2c(cc(cc2)OC)OC)C(=O)O)O)=O
+CC(C)(C)OC(NC(c1c(F)cc(OCCC(C)C2CCN(CC2)c3onc(C(C)C)n3)cc1)C(OC)=O)=O
+CC(C)(C)OC(NC(c1c(c(c2c(n1)ccc(c2)F)C(NC(C)C)=O)-c3ccccc3)C)=O
+CC(C)(C)OC(NC(c1cc(c(cc1)F)F)CC(O)=O)=O
+CC(C)(C)OC(NC(c1sccn1)Cc2ccccc2)=O
+CC(C)(C)OC(NC1(CC(C1)=O)C2CC(=O)N(C2)Cc3ccccc3)=O
+CC(C)(C)OC(NC1(CC(F)(F)C1)c2onc(-c3ccc(c(NC(=O)c4n5ccccc5nc4)c3)C)n2)=O
+CC(C)(C)OC(NC1(CCC(Nc2c(C(=O)N)cnn3cc(cc23)C(NN)=O)C1(C)C)C)=O
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)(OS(=O)(=O)C)C2)=O
+CC(C)(C)OC(NC12CC3CC(CC(C1)C3)C2(O)C)=O
+CC(C)(C)OC(NC1C(=O)N(c2c(C1)cccc2N(C(C)=O)CC)Cc3ccccc3)=O
+CC(C)(C)OC(NC1C(C(C2CC2)CN(c3c4CCCc4[n+]([O-])cc3[N+]([O-])=O)C1)O)=O
+CC(C)(C)OC(NC1C(C)N(C(=O)CNc2c3c(ncn2)cc(Cl)c(Cl)c3)CC1)=O
+CC(C)(C)OC(NC1C(CC)N(c2nc(C)c(s2)C(=O)OCC)C1)=O
+CC(C)(C)OC(NC1C(CCCC1)Nc2nc(nc3ccc(C)cc23)NCc4ccc(cc4)OC)=O
+CC(C)(C)OC(NC1C(COC1)NC2CCC(CC2)Cc3ccc(cc3)F)=O
+CC(C)(C)OC(NC1C2C1CN(C2)C(c3ccc(cc3)NC(c4ccc(cc4)F)=O)=O)=O
+CC(C)(C)OC(NC1CC(CC1)N)=O
+CC(C)(C)OC(NC1CC2=CCC3C(CCC4(C3CCC4c5nnn(Cc6ccccc6)c5)C)C2(CC1)C)=O
+CC(C)(C)OC(NC1CCC(C(CCC)C1)N2C(=O)C(Nc3c4c(ccc(Cl)c4)ncn3)CC2)=O
+CC(C)(C)OC(NC1CCCC1Nc2ncc(C(F)(F)F)nc2C)=O
+CC(C)(C)OC(NC1CCCCC1Nc2c(F)c3CN(C(c3c(-c4sncc4)n2)=O)C(=O)OC(C)(C)C)=O
+CC(C)(C)OC(NC1CCCCC1OS(=O)(=O)C)=O
+CC(C)(C)OC(NC1CCCCNC1)=O
+CC(C)(C)OC(NC1CCCN(c2ccnc3c2cc(cc3)-c4nccc(OCc5ccccc5)n4)C1)=O
+CC(C)(C)OC(NC1CCCN(c2n(Cc3ccccc3Cl)c4c(c2C(=O)C)N(C(N(C4=O)C)=O)C)C1)=O
+CC(C)(C)OC(NC1CCN(C1)c2ccc(cc2)S(=O)(=O)N(C)C)=O
+CC(C)(C)OC(NC1CCN(CC1)C(=O)NC2CCN(CC2)c3ncccc3)=O
+CC(C)(C)OC(NC1CN(c2c(F)cc3c(N(C4CC4)C(=O)N(N)C3=O)c2)CC1)=O
+CC(C)(C)OC(NC1CN(c2c(cc(c(F)c2F)C(=O)OCC)F)CC1)=O
+CC(C)(C)OC(NC1CN(c2ccc(cc2)C(=O)O)CC1)=O
+CC(C)(C)OC(NC1CN(c2n(c3c(N(C(=O)N(C3=O)CC(=O)c4ccccc4O)C)n2)CC=C(C)C)CCC1)=O
+CC(C)(C)OC(NC1Cc2c(cc(cc2)Br)CC1)=O
+CC(C)(C)OC(NC1Cc2c(ccc(O)c2)CC1)=O
+CC(C)(C)OC(NC=1CC(C(N(CCCF)CCC)=O)=Cc2ccc(Br)cc2N=1)=O
+CC(C)(C)OC(NC=1SCC2COc3c(cc(c(F)c3)Br)C2(C)N=1)=O
+CC(C)(C)OC(NCC(=O)NC(C(=O)NC)Cc1ccccc1)=O
+CC(C)(C)OC(NCC(C)(C)NS(=O)(=O)C)=O
+CC(C)(C)OC(NCC(C1CC1)N(C(=O)c2c(sc(C)n2)-c3ccccc3)C)=O
+CC(C)(C)OC(NCC(CNC(C(=O)OC)C)C)=O
+CC(C)(C)OC(NCC(SC(C)=O)C)=O
+CC(C)(C)OC(NCC1(CNC1)F)=O
+CC(C)(C)OC(NCC1C(=NOC)CNC1)=O
+CC(C)(C)OC(NCC1CCC(CC1)C(=O)NC(C(=O)O)Cc2ccc(cc2)-c3c(cc(cc3)C(NC(C)C)=O)Cl)=O
+CC(C)(C)OC(NCC1CCC(CC1)C(NC(Cc2cc(ccc2)-c3cnc(nc3)N4CCOCC4)C(O)=O)=O)=O
+CC(C)(C)OC(NCC1CCN(CC1)c2cc(C(Nc3ccccc3)=O)ccc2N)=O
+CC(C)(C)OC(NCC1CN(c2cc3CC(N(CCC)c3c(c2)F)=O)C(=O)O1)=O
+CC(C)(C)OC(NCC1OC(N(C1)c2cc3CC(N(CC4CC4)c3cc2)=O)=O)=O
+CC(C)(C)OC(NCC1OC(N(c2cc(c(C3CCN(CC3)C(=O)CO)cc2)F)C1)=O)=O
+CC(C)(C)OC(NCC=1N(C(=O)c2c(cc(OCC(N)=O)cc2)C=1c3ccccc3F)CC(C)C)=O
+CC(C)(C)OC(NCCC(=O)CO[Si](C)(C)C(C)(C)C)=O
+CC(C)(C)OC(NCCC(=O)c1cc(O)ccc1)=O
+CC(C)(C)OC(NCCC(Nc1ccc2c(n(S(=O)(=O)c3c4c(cccc4)ccc3)nc2)c1)=O)=O
+CC(C)(C)OC(NCCC(c1cc(Cl)ccc1)Nc2nc(-c3n4ccnc(c4nc3)NCCN5CCOCC5)ccc2)=O
+CC(C)(C)OC(NCCC1(CCCC1)C(NC(Cc2ccc(cc2)[N+]([O-])=O)C(=O)OC)=S)=O
+CC(C)(C)OC(NCCC1CNCC1)=O
+CC(C)(C)OC(NCCCCCCCCCCCO)=O
+CC(C)(C)OC(NCCCNC(CC)C=1N(C(c2c(N=1)onc2C)=O)Cc3ccccc3)=O
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2nc3c(cn2)ncn3-c4ccc(cc4)OCCCC(O)=O)=O
+CC(C)(C)OC(NCCCn1c2cc(C(=O)O)ccc2nc1Nc3cc(OC)c(c(OC)c3)OC)=O
+CC(C)(C)OC(NCCN(CCN=[N+]=[N-])CCN)=O
+CC(C)(C)OC(NCCNC(=O)CC(NC(OC(C)(C)C)=O)CCCN)=O
+CC(C)(C)OC(NCCNC(=O)CCN)=O
+CC(C)(C)OC(NCCNC(C(C)C)=O)=O
+CC(C)(C)OC(NCCNc1c(cnc2c1ccc(c2)OCc3ccccc3)N)=O
+CC(C)(C)OC(NCCNc1cc(ccc1N)OC)=O
+CC(C)(C)OC(NCCOCCOCCNC(COc1ccc(C=CC(O)=O)cc1OC)=O)=O
+CC(C)(C)OC(NCCOCCOCCOCCOCCC(Nc1nc(c(-c2ccc(c(c2)S(=O)(=O)C)Cl)s1)C)=O)=O
+CC(C)(C)OC(NCCOCCOCCOCCOc1c(OC)c(OC)cc(C=O)c1)=O
+CC(C)(C)OC(NCCOCCOCCOCCOc1ccc(cc1)[N+](=O)[O-])=O
+CC(C)(C)OC(NCCOc1c(I)c(c(Cl)cc1C(C)=O)C#N)=O
+CC(C)(C)OC(NCCOc1ccc(cc1)NS(=O)(=O)c2ccccc2)=O
+CC(C)(C)OC(NCCOc1cncc(-c2cc3CCC(=O)N(C)c3cc2)c1)=O
+CC(C)(C)OC(NCCSSCCNC(c1cnccc1)=O)=O
+CC(C)(C)OC(NCCc1ccc(Br)cn1)=O
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(C(=O)O)cc2)c1-c3ccccc3)=O
+CC(C)(C)OC(NCc1c(Cl)c(N=C=S)c(Cl)c(F)c1)=O
+CC(C)(C)OC(NCc1c(O)nc(cc1NCC)C)=O
+CC(C)(C)OC(NCc1c(c2c(ccc(OCCCCC(=O)N)c2)nc1CC(C)C)-c3ccc(cc3)C)=O
+CC(C)(C)OC(NCc1cc(Br)c(OCOCCOC)cc1)=O
+CC(C)(C)OC(NCc1cc(C)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(OC)n1)=O
+CC(C)(C)OC(NCc1cc([N+]([O-])=O)cc(C)c1N2CCOCC2)=O
+CC(C)(C)OC(NCc1ccc(Cl)cc1CNC(=O)C2NCCCC2)=O
+CC(C)(C)OC(NCc1ccc(cc1)-c2cccc(OCCCCOCc3ccccc3)c2)=O
+CC(C)(C)OC(NCc1ccc(cc1)CNC(=O)N2CCN(CC2)C(=O)CN)=O
+CC(C)(C)OC(NCc1cccc(NS(=O)(=O)C)c1)=O
+CC(C)(C)OC(NCc1cn(CCON2C(=O)c3ccccc3C2=O)nn1)=O
+CC(C)(C)OC(NNC(=O)c1cc2c(OC3(CCN(CC3)C(=O)c4cc(OC)c5cccc(OC)c5n4)CC2=O)cc1)=O
+CC(C)(C)OC(NOC(Cc1ccccc1)C(=O)O)=O
+CC(C)(C)OC(Nc1c(C)nc(nc1C)OCC(N(C)C2CCN(CC2)c3ccccc3)=O)=O
+CC(C)(C)OC(Nc1c(N)cc(-c2c(Cl)cccc2)cc1)=O
+CC(C)(C)OC(Nc1c(c2c(OCCO2)cc1)[N+]([O-])=O)=O
+CC(C)(C)OC(Nc1c(c2c(ccc(c2)C#N)c(OCc3ccccc3)c1)Br)=O
+CC(C)(C)OC(Nc1c(cc(Oc2ccnc(NC)c2N)cc1)F)=O
+CC(C)(C)OC(Nc1c(cc(cc1)OCC)C)=O
+CC(C)(C)OC(Nc1c2c(ncn1)n(-c3ccc(cc3)NC)nc2I)=O
+CC(C)(C)OC(Nc1cc(Cl)c(c(Cl)c1)OCCOC(=O)C)=O
+CC(C)(C)OC(Nc1cc(cc(N2CCN(C(C2)CO)C3COC3)c1Cl)C#N)=O
+CC(C)(C)OC(Nc1cc(ccc1C=CC(N2CCN(CC2)Cc3ccc(cc3)F)=O)Cl)=O
+CC(C)(C)OC(Nc1cc(sc1)C#Cc2c(cccc2)NC(N)=O)=O
+CC(C)(C)OC(Nc1ccc(-c2ccccc2)nc1Br)=O
+CC(C)(C)OC(Nc1ccc(C(OCC)=O)cc1N)=O
+CC(C)(C)OC(Nc1ccc(CCI)nc1)=O
+CC(C)(C)OC(Nc1ccc(c(-c2ccc(cc2C)C(=O)CC)c1)C)=O
+CC(C)(C)OC(Nc1ccc(cc1)CCOc2ccc(cc2)CC(OCC)C(O)=O)=O
+CC(C)(C)OC(Nc1ccc2c(c1)cc(OC)cc2)=O
+CC(C)(C)OC(Nc1ccc2c(c1Br)cc(cc2)C(=O)C)=O
+CC(C)(C)OC(Nc1cccc(C#Cc2cc(ccc2N3CCOCC3)[N+]([O-])=O)c1)=O
+CC(C)(C)OC(Nc1n(c2ccc(Nc3nc(ncc3)Cl)cc2n1)C)=O
+CC(C)(C)OC(Nc1n2ncc(c2nc(c1)Cl)C=O)=O
+CC(C)(C)OC(Nc1nc(C(N(C)C)=O)cs1)=O
+CC(C)(C)OC(Nc1onc(C(C)(C)CN(C)C(C)=O)c1)=O
+CC(C)(C)OC(Nc1scc(CO)n1)=O
+CC(C)(C)OC(Oc1cc(c(cc1)OC(CCI)c2ccccc2)C)=O
+CC(C)(C)OC(Oc1ccccc1C(O)=O)=O
+CC(C)(C)OC(c1c(Cl)cc(c(Cl)c1)Cl)=O
+CC(C)(C)OC(c1c(O)cc(OC(=O)c2ccc(cc2)-c3ccccc3)cc1)=O
+CC(C)(C)OC(c1ccc(C(=O)O)cn1)=O
+CC(C)(C)OC(c1ccc(cc1[N+](=O)[O-])C(=O)N2CCCCC2)=O
+CC(C)(C)OC(c1ccccc1-c2ccc(Cn3c(nc(Br)c3C=NO)OCCC)c(F)c2)=O
+CC(C)(C)OC(n1c(N)nc(c1)CCCCCc2cn(CCNC(c3ccccc3I)=O)nn2)=O
+CC(C)(C)OC(n1c(nc2ccc(C(O)C(F)(F)F)cc12)-c3c(C)cccc3C)=O
+CC(C)(C)OC(n1c2c(c(CN(C)CCN(C)C(=O)OC(C)(C)C)n1)c(ccc2)OCCCC3OC(C)(C)OC3)=O
+CC(C)(C)OC(n1c2c(c(OC)ccc2)c(N)n1)=O
+CC(C)(C)OC(n1c2c(cc(NC(=S)NCCN)c(C)c2nc1)F)=O
+CC(C)(C)OC(n1c2c(cc1)c(NC(C3CCN(CC3)Cc4ccccc4)=O)ccn2)=O
+CC(C)(C)OC(n1c2c(cn1)ccc(c2)NC(=O)c3ccccc3O)=O
+CC(C)(C)OC(n1c2cccc(c2c(C=O)c1)O)=O
+CC(C)(C)OC(n1cc(C(NO)=N)c(C)n1)=O
+CC(C)(C)OC(n1cc(c2nccc(Cl)c12)C(NC3CCOCC3O)=O)=O
+CC(C)(C)OC(n1ccc2ccc(cc12)CO)=O
+CC(C)(C)OC(n1cccc1-c2ccc3c(C4(CCCCC4)C(=O)N3)c2)=O
+CC(C)(C)OC(n1cnc2c1cc(Br)cc2NCCC(F)(F)F)=O
+CC(C)(C)OCCCON
+CC(C)(C)ON=C1C=C(Oc2ccc(OCCN3CCCC3)cc12)c4ncn5c(c4)ccc5
+CC(C)(C)ON=C1c2c(OC(=C1)c3ncn4c(c3)ccc4)ccc(c2)C(=O)NCCN5CCOCC5
+CC(C)(C)Oc1c(c(Cl)ccc1)C(Cl)=O
+CC(C)(C)Oc1ccc(CO)cn1
+CC(C)(C)Oc1ccc(cc1)Cc2n(C)nc(-c3c(cccc3Cl)F)n2
+CC(C)(C)Sc1c2c(n(Cc3ccc(cc3)Br)c1CC(C)(C)C(=O)OCC)ccc(c2)O
+CC(C)(C)Sc1ccc(c(c1)Cl)Cc2c3c(ccc(c3)C(NS(=O)(=O)CCCCC)=O)[nH]c2C
+CC(C)(C)Sc1n2c(c(ncc2)N)c(Br)n1
+CC(C)(C)[Si](C)(C)CCCOCC(O)CNC(=O)C(=C)C
+CC(C)(C)[Si](C)(C)N1CCN(CC1)CCC#N
+CC(C)(C)[Si](C)(C)OC(C(CN=[N+]=[N-])C)C(CO)O
+CC(C)(C)[Si](C)(C)OC(C(NC(=O)OC(C)(C)C)C(C)C)CC(O)=O
+CC(C)(C)[Si](C)(C)OC(C)(C)CC(=O)NC(C#N)c1cc(ccc1OC)Cl
+CC(C)(C)[Si](C)(C)OC(C)(C)Cn1cc(nc1)I
+CC(C)(C)[Si](C)(C)OC(C)CCCCC(OC)=O
+CC(C)(C)[Si](C)(C)OC(C)CNc1ccc(c(C#N)c1)OC
+CC(C)(C)[Si](C)(C)OC(C=CC1CCC2C1CC(C(O)(C)CCCC(=O)OCC)C2=O)C3CCCCC3
+CC(C)(C)[Si](C)(C)OC(CC(C(O)=O)Cc1ccc(cc1)OC)C(Cc2ccccc2)NC(=O)OC(C)(C)C
+CC(C)(C)[Si](C)(C)OC(CC(C)=O)CC(OC)=O
+CC(C)(C)[Si](C)(C)OC(CC=C)CCC1C(c2c(ccc(c2OC1)F)F)S(=O)(=O)c3ccc(cc3)Cl
+CC(C)(C)[Si](C)(C)OC(CCC1CCC(N1CCCc2ccc(cc2)C(=O)OC)=O)Cc3ccc(cc3)F
+CC(C)(C)[Si](C)(C)OC(Cc1cc(-c2ccccc2)ccc1)CCC3CCC(N3CCCc4ccc(cc4)C(=O)OC)=O
+CC(C)(C)[Si](C)(C)OC(c1cc(ccc1)Cl)C=C
+CC(C)(C)[Si](C)(C)OC(c1cccc(Cl)c1)C(=O)OC
+CC(C)(C)[Si](C)(C)OC(c1ccccc1)COC2C(CC(CC2)OS(=O)(=O)C)F
+CC(C)(C)[Si](C)(C)OC(c1nccs1)C2CC2
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCNc2c(cnc3ccccc23)N
+CC(C)(C)[Si](C)(C)OC1C(C(Nc2c3c(cccc3)c(C#N)cc2)=O)N(CC1)C(=O)OC(C)(C)C
+CC(C)(C)[Si](C)(C)OC1C(C(OCOC)CC=2C1CON=2)OC(OC)=O
+CC(C)(C)[Si](C)(C)OC1C=2N(CCC1)C(=O)C(CCN3CCC(CC3)c4noc5c4ccc(O)c5)=C(N=2)C
+CC(C)(C)[Si](C)(C)OC1CC(=C)C(=C1C)CC=C
+CC(C)(C)[Si](C)(C)OC1CC(C)CC(c2ccncc2N)=C1
+CC(C)(C)[Si](C)(C)OC1CC(C1)=O
+CC(C)(C)[Si](C)(C)OC1CC(N(C(=O)OCc2ccc(cc2)OC)C1)CO
+CC(C)(C)[Si](C)(C)OC1CC(Nc2nc(nc(n2)Cl)NC3C(OC)Cc4ccccc34)CC1COCc5ccccc5
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)CNCCO
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)c2c(ccc(C(=O)O)n2)F
+CC(C)(C)[Si](C)(C)OC1CCCC2(C1CCCC2=CC)C
+CC(C)(C)[Si](C)(C)OC1CCN(C1CO)C(=O)Nc2c(C)c(Cl)c(C#N)cc2
+CC(C)(C)[Si](C)(C)OC1CCN(Cc2ccc(cc2)C)C1=O
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)C(N)CC1)Cc2cccnc2
+CC(C)(C)[Si](C)(C)OC1CNC1
+CC(C)(C)[Si](C)(C)OC1COC(c2cnccc2)C1CCC(=O)O
+CC(C)(C)[Si](C)(C)OC1c2c(CCC1)cnc3cc(OCc4c([N+]([O-])=O)cccc4)ccc23
+CC(C)(C)[Si](C)(C)OCC(C(=O)OC)N1C(c2cccc(c2C=C1)NC(C(C)c3ccc(cc3)Cl)=O)=O
+CC(C)(C)[Si](C)(C)OCC(C(C)C)N1c2cc(c(NCc3ccc(cc3)F)cc2C(C(C(OCC)=O)=C1)=O)OC
+CC(C)(C)[Si](C)(C)OCC(C)(C)CC#N
+CC(C)(C)[Si](C)(C)OCC(C)(C)CCC=O
+CC(C)(C)[Si](C)(C)OCC(C)(C)c1cc(N)n(-c2ccccc2)n1
+CC(C)(C)[Si](C)(C)OCC(C)CCCI
+CC(C)(C)[Si](C)(C)OCC(C=O)OC
+CC(C)(C)[Si](C)(C)OCC(CC1N(C(OC(C)(C)C)=O)C(C)(C)OC1)CC=C
+CC(C)(C)[Si](C)(C)OCC(CCCC(C)C1CCC2C1(C)CCC3C4(C(=CC(CC4)=O)CCC23)C)C
+CC(C)(C)[Si](C)(C)OCC(CCO)NCCc1ccc(cc1)C(OC(C)C)=O
+CC(C)(C)[Si](C)(C)OCC(Cc1c(cccc1)OC)O
+CC(C)(C)[Si](C)(C)OCC(Cc1oc(cc1)C(Nc2ccccc2)=O)C(O)C
+CC(C)(C)[Si](C)(C)OCC(N)CC(C)(C)F
+CC(C)(C)[Si](C)(C)OCC(NC(C)C(=O)OC(C)(C)C)c1ccc(cc1)C#N
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(nc(SCc2c(c(F)ccc2)F)n1)Cl)COC(C)C
+CC(C)(C)[Si](C)(C)OCC(c1c(F)ccc(c1)Br)(NCc2ccc(cc2)OC)C
+CC(C)(C)[Si](C)(C)OCC(c1ccc(Cl)c(F)c1)OS(=O)(=O)C
+CC(C)(C)[Si](C)(C)OCC(c1ccc(cc1)Cl)O
+CC(C)(C)[Si](C)(C)OCC1(CC1)CNCC(OC)=O
+CC(C)(C)[Si](C)(C)OCC1(c2c(-c3c1cccc3)cccc2)COC
+CC(C)(C)[Si](C)(C)OCC1C(CC(N2C(NC(=O)C(C#CCNC(=O)C(F)(F)F)=C2)=O)O1)O
+CC(C)(C)[Si](C)(C)OCC1C(COC(C)O1)CC=CCCCC(=O)OC
+CC(C)(C)[Si](C)(C)OCC1CCC(CC1)=O
+CC(C)(C)[Si](C)(C)OCC1CCC(CC1)CNCC
+CC(C)(C)[Si](C)(C)OCC1CCC(Oc2ncnc3c2nc(-c4c5c(cccc5)ccc4)n3C6OCCCC6)C1
+CC(C)(C)[Si](C)(C)OCC1CCn2c(c(c3ccccc23)C(C(=O)OC)=O)C1
+CC(C)(C)[Si](C)(C)OCC1N(C(OC(C)(C)C)=O)CCC1Oc2cc(F)cc([N+](=O)[O-])c2
+CC(C)(C)[Si](C)(C)OCC=1CC(CCOCc2ccccc2)CCC=1
+CC(C)(C)[Si](C)(C)OCCC(=O)C1CCCN1C(C2N(C(NCc3ccccc3)=O)CCC2)=O
+CC(C)(C)[Si](C)(C)OCCC(CC=CC)C
+CC(C)(C)[Si](C)(C)OCCC(OC(=S)Oc1ccccc1)C=2C=CN(C(=O)C=2)C3=CC(C)(C)Oc4c3cc(C#N)cc4
+CC(C)(C)[Si](C)(C)OCCC(c1ccccc1)(O)CCN
+CC(C)(C)[Si](C)(C)OCCC1(C2C3(C)C(CC2)C(CCC3)O[Si](C)(C)C(C)(C)C)CC1C(OCC)=O
+CC(C)(C)[Si](C)(C)OCCCCCCCCCCCCC#C
+CC(C)(C)[Si](C)(C)OCCCCCCCN
+CC(C)(C)[Si](C)(C)OCCCCNc1c2ccccc2nc(c1[N+]([O-])=O)Cl
+CC(C)(C)[Si](C)(C)OCCCNCCN1CCS(CC1)(=O)=O
+CC(C)(C)[Si](C)(C)OCCCOc1ccc(CO)c(OC)c1
+CC(C)(C)[Si](C)(C)OCCCSc1c(C#N)cnc2c1cc(cc2)I
+CC(C)(C)[Si](C)(C)OCCCc1ccc(cc1)Br
+CC(C)(C)[Si](C)(C)OCCCc1ncsc1
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)N2CCc3c(n(-c4ccc(cc4)OC)nc3C(N)=O)C2=O
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)NC(c2c(C(=O)Nc3ccc(cn3)C)nccn2)=O
+CC(C)(C)[Si](C)(C)OCCN(C(=O)c1c(ncnc1Cl)Cl)c2c(F)cc(cc2)C3CCC(CC3)CC(=O)OC
+CC(C)(C)[Si](C)(C)OCCN(c1ccc(cc1)NC(c2c(NC(c3sc(cc3)Cl)=O)cncc2)=O)C#N
+CC(C)(C)[Si](C)(C)OCCN(c1ccccc1)C(Cc2ccc(cc2)C(=O)NO)=O
+CC(C)(C)[Si](C)(C)OCCN1c2c(cc(I)cc2F)C(=O)C(C(=O)OCC)=C1
+CC(C)(C)[Si](C)(C)OCCNc1c2ccc(cc2ncc1N)OCc3ccccc3
+CC(C)(C)[Si](C)(C)OCCOCC=O
+CC(C)(C)[Si](C)(C)OCCOCc1ccc(cc1)CO
+CC(C)(C)[Si](C)(C)OCCOCc1nccs1
+CC(C)(C)[Si](C)(C)OCCOc1c(c(-c2c(F)ccc(n2)C(=O)OC)c(cc1)F)F
+CC(C)(C)[Si](C)(C)OCCOc1cc(C=O)cc(C)c1
+CC(C)(C)[Si](C)(C)OCCOc1ccc(N)c(C)c1
+CC(C)(C)[Si](C)(C)OCCOc1ccc(N)c(OC)c1
+CC(C)(C)[Si](C)(C)OCCOc1ccc(cc1)C2(CC(O)=CC(=O)O2)CCc3ccccc3
+CC(C)(C)[Si](C)(C)OCCOc1ccc2c(nc(cn2)-c3ccc(cc3)NC)c1
+CC(C)(C)[Si](C)(C)OCCc1c[nH]c2c1c(nc(n2)SC)Cl
+CC(C)(C)[Si](C)(C)OCCc1cc(C)cs1
+CC(C)(C)[Si](C)(C)OCCc1cc(cc(F)c1N(Cc2ccccc2)C)NC(=O)OCc3ccccc3
+CC(C)(C)[Si](C)(C)OCCc1ccc(c(OCc2ccccc2)c1)C=O
+CC(C)(C)[Si](C)(C)OCCc1ccccc1C(=N)NO
+CC(C)(C)[Si](C)(C)OCCn1c2CCCC(O)c2cn1
+CC(C)(C)[Si](C)(C)OCCn1ccc2cc(c(cc12)NC(C3=CNC(CC3c4ccc(cc4)F)=O)=O)C
+CC(C)(C)[Si](C)(C)OCc1[nH]c2ncccc2c1
+CC(C)(C)[Si](C)(C)OCc1c(ccc(c1)OC)N
+CC(C)(C)[Si](C)(C)OCc1c(cncc1O)O
+CC(C)(C)[Si](C)(C)OCc1cc(C#N)ncc1
+CC(C)(C)[Si](C)(C)OCc1cc(OCOC)cc(C2CCCC2C(=O)c3ccc(cc3)OCOC)c1OCOC
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1OCCCCCCC)Br
+CC(C)(C)[Si](C)(C)OCc1cc(nc(Cl)c1)I
+CC(C)(C)[Si](C)(C)OCc1ccc(C(O)c2cc(ccc2)C)c(c1)C
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)OC(=O)Oc2ccc(cc2)[N+]([O-])=O
+CC(C)(C)[Si](C)(C)OCc1cccc(N2CCN(CC2)CC(=O)N3CC(C3)OC)c1F
+CC(C)(C)[Si](C)(C)OCc1cccc(c1)-c2cnc(N)cc2
+CC(C)(C)[Si](C)(C)OCc1n(C)c2c(cc3C(CCCCCc3c2)=NCc4ccc(OC)cc4OC)c1
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)NC(=O)Cn2ncc(c2)Oc3c4cc(c(OC)cc4ncn3)OC
+CC(C)(C)[Si](C)(C)OCc1nc2ncc(-c3cccc(-c4c(cccc4)C#N)c3)n2cc1
+CC(C)(C)[Si](C)(C)OCc1ncc(Br)c(c1C)OC
+CC(C)(C)[Si](C)(C)Oc1c(Br)ccc2ccc(nc12)C=NNc3ncccc3
+CC(C)(C)[Si](C)(C)Oc1c(COC(Oc2ccc(cc2)[N+](=O)[O-])=O)cccc1
+CC(C)(C)[Si](C)(C)Oc1c(OC)ccc(CNC2(CC2)C(OC)=O)c1
+CC(C)(C)[Si](C)(C)Oc1c(OC)ccc(c1)CCl
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1)Oc2c(cc(cc2Cl)N)Cl)C(C)C
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1OC)C(C=Cc2cc(c(cc2OC)OC)-c3cc4ccccc4s3)=O)OC
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1OC)C2c3cc4OCOc4cc3C(C5C(=O)OCC25)N)OC
+CC(C)(C)[Si](C)(C)Oc1c(ccc(c1)C(O)C)OC
+CC(C)(C)[Si](C)(C)Oc1cc(C#N)ccc1N=C=Nc2c(cccc2)Br
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(C)c1)-c2cc(C(OC)=O)ccc2OC(C)C
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(C)c1)-c2nc3n(c(OCCO)ccc3)c2Nc4ccc5OCCOc5c4
+CC(C)(C)[Si](C)(C)Oc1cc(c(cc1)N2C(=O)c3ccccc3C2=O)NC(C4CCN(CC4)c5ccncc5)=O
+CC(C)(C)[Si](C)(C)Oc1cc(cc(F)c1)C=O
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)CNC(c2cc(c(O)c(Cl)c2)C)=O
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)Sc2cc3C=C(C)C(C)(C)Oc3cc2
+CC(C)(C)[Si](C)(C)Oc1cc2c(cc1)n(C3OCCCC3)nc2I
+CC(C)(C)[Si](C)(C)Oc1ccc(Br)c2ccccc12
+CC(C)(C)[Si](C)(C)Oc1ccc(C(C)=O)cc1CC
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c2n(C3CCCCC3)c4c(n2)cc(cc4)-c5[nH]nnn5
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2c3c(C(C2C(OCC)=O)=O)cccc3
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)CCC(=O)OCc2ccccc2
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)Cc2c(sc(c2)Br)Cl
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)N
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)OCc2cc([N+]([O-])=O)cc(c2)[N+]([O-])=O
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1OC)CC(OC)C(=O)O
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)[nH]c(CO)c2
+CC(C)(C)[Si](C)(C)Oc1cccc(-c2c(N)cccc2)c1
+CC(C)(C)[Si](C)(C)Oc1cccc(c1)Nc2c3cc(ccc3ncc2)Br
+CC(C)(C)c1[nH]c2c(cc(cc2CO)N)c1
+CC(C)(C)c1[nH]c2c(cccc2)c1
+CC(C)(C)c1[nH]nc(c1)C(=O)NC2CCCN(c3nc(Nc4ccc(cc4)N(CC)CC)c(C(=O)N)cc3)C2
+CC(C)(C)c1c(C2CCN(CC2)C(C3SCCC3)=O)cccc1
+CC(C)(C)c1c(Cl)c(-c2[nH]c3cc(nc(OC)c3n2)-c4ccccc4C(F)(F)F)n(n1)C
+CC(C)(C)c1c(Cl)c(-c2nc3c(cc(nc3OC)-c4ccccc4Cl)[nH]2)n(n1)C
+CC(C)(C)c1c(N)c([nH]n1)C(N)=O
+CC(C)(C)c1c(O)c(c(c(C)c1)CC(=O)Cl)C
+CC(C)(C)c1c(Oc2ccc(-c3cc(C(O)=O)c(cc3)Cl)cc2NC(Nc4ccc(cc4)C)=O)cccc1
+CC(C)(C)c1c(c(-c2nc3cc(-c4c(cccc4)C(F)(F)F)nc(OCCN(C)C)c3[nH]2)n(n1)C)Cl
+CC(C)(C)c1c(c(CC(C)C)c2c(OC3(CCCCCC3)C2)c1)O
+CC(C)(C)c1c(c(N2CCN(CC2)CC(=O)OCC)cc(Br)c1)OC
+CC(C)(C)c1c(c(c(C(C(C)C)O)c(O)c1)C)OC(=O)C
+CC(C)(C)c1c(c(c2c(C=C(C2)C)c1)-c3ccccc3)OCC(C)C
+CC(C)(C)c1c(c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)[nH]1)C
+CC(C)(C)c1c(cc(CCC(CC2CCCCC2)=O)cc1)NC(=O)CC3c4ccccc4Oc5ccccc35
+CC(C)(C)c1c(cc(N)c(N)c1)SC#N
+CC(C)(C)c1c(cc(N)cc1)OC
+CC(C)(C)c1c(cc(O)c(Cl)c1)N
+CC(C)(C)c1c(cc(c(c1)-c2cccnc2O)CSC)OC
+CC(C)(C)c1c(cc2c(c1)OC(C)C2)O
+CC(C)(C)c1c(ccc(c1)C#Cc2ccc(cc2)C(=O)O)C3(CC3)OCC
+CC(C)(C)c1c(cn(n1)CC(Nc2sc3CCCCc3c2C(NCCO)=O)=O)CNCC
+CC(C)(C)c1c(cnc(n1)N2CCOCC2)C(=O)O
+CC(C)(C)c1c(nn2c(-c3c(c(F)ccc3F)F)nnc2c1)Cl
+CC(C)(C)c1c(nn2c1nccc2)NC(=O)CCc3ccccc3
+CC(C)(C)c1c2OCC(C)(C)c2cc(NC(C)C)c1
+CC(C)(C)c1c2c(cc(c1O)C(C)(C)C)OC(C)(CO)C2
+CC(C)(C)c1cc(-n2c3c(ccc(c3)Oc4cccc(-n5c6ccccc6cn5)c4)c7ccccc27)ncc1
+CC(C)(C)c1cc(C(=O)CBr)cc2NC(=O)COc12
+CC(C)(C)c1cc(C(=O)N2c3ccccc3SC2)cc(C#N)c1OC
+CC(C)(C)c1cc(C(C#Cc2ccc(cc2)C(=O)O)O)cc(Cl)c1N(C)C
+CC(C)(C)c1cc(CBr)cc(c1)Cl
+CC(C)(C)c1cc(N)n(-c2ccc3CCN(C(=O)C(F)(F)F)c3c2)n1
+CC(C)(C)c1cc(NC(=O)Nc2cc(C#Cc3cnc(nc3)NCCCN4CCCCC4)ccc2)n(C)n1
+CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c3ccc(cc3)C)n1
+CC(C)(C)c1cc(NC(NC2Cc3ccccc3C2)=O)c(OC)c(c1)CO
+CC(C)(C)c1cc(OCCOC)cc(C(CBr)=O)c1
+CC(C)(C)c1cc([N+](=O)[O-])cc(c1O)I
+CC(C)(C)c1cc(c(CC(=O)C(OCC)=O)cc1)[N+](=O)[O-]
+CC(C)(C)c1cc(c(CCN(C)C)cc1)O
+CC(C)(C)c1cc(c(OCc2ccccc2)cc1)CCl
+CC(C)(C)c1cc(c(S(C)=O)cc1)NC(=O)c2cc(-n3nnc(-c4cnc(NCC5CC5)cc4)c3)c(cc2)C
+CC(C)(C)c1cc(c(c(N)c1)OC)S(C)=O
+CC(C)(C)c1cc(c(c(NC(CCl)=O)c1)OC)S(=O)(=O)NC(C)(C)C
+CC(C)(C)c1cc(c(c(c1)NC(C(=O)c2c3ccccc3c(cc2)OCCN4CCOCC4)=O)OC)Cl
+CC(C)(C)c1cc(c(s1)CNC(=O)CN)NC(Nc2ccc(cc2)C)=O
+CC(C)(C)c1cc(cc(C#N)n1)C(Nc2cc(-n3c4n(nc(c4)-c5cccnc5)cc3)c(C)cc2)=O
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(C(=O)N)n(C)c2CC3CCCCC3
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2cc(S(=O)(=O)NC3CC3)c(C)n2CC4CCCCC4
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)CN2CCOc3ccc(cc23)C=O
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)N2CCN(CC2)C(=O)c3sc(C)cc3
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C2SCC(=O)N2CCCO
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C=Cc2cc(C)c(c(C)c2)-c3c(cncc3C)C
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)N(C)c2ccc(cc2)C(=O)O
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)NC(c2ccc(o2)-c3ccc(cc3)[N+](=O)[O-])=O
+CC(C)(C)c1cc(cc(C=Cc2c(cc(cc2)NS(=O)(=O)C)COC)c1OC)N3C(=O)NC(C=C3)=O
+CC(C)(C)c1cc(cc(C=O)c1O)CCl
+CC(C)(C)c1cc(cc(N)c1)C#N
+CC(C)(C)c1cc(cc(OC(COC)COC)c1)C(OC)=O
+CC(C)(C)c1cc(cc(c1)C#N)SC(F)(F)F
+CC(C)(C)c1cc(cc2c1OCC2(C)C)-c3noc(C)n3
+CC(C)(C)c1cc(n(-c2ccc(cc2)CCO)n1)NC(=O)Nc3ccc(cc3)Oc4ccncc4
+CC(C)(C)c1cc(n(n1)-c2ccc(cc2)NC(CCOC)=O)NC(=O)Nc3ccc(cc3)Oc4ccncc4
+CC(C)(C)c1cc(n(n1)-c2ccccc2)NC(=O)Nc3cc(Oc4c5cc(OC)c(cc5ncn4)OCCOC)ccc3
+CC(C)(C)c1cc(no1)NC(Nc2ccc(cc2)-c3c4cnc(nc4n(C)n3)NCCN5CCOCC5)=O
+CC(C)(C)c1cc2C(C(CC(C)C)Cc2c(Br)c1OC)=O
+CC(C)(C)c1cc2C3(CCNCC3)CN(C(=O)c4c(F)cccc4F)c2cc1
+CC(C)(C)c1cc2CC(=NO)C(=O)c2cc1
+CC(C)(C)c1cc2N(CCCN3CCC(CC3)CCCC)C(=O)COc2cc1
+CC(C)(C)c1cc2c(C(=O)N(c3nccc(Cl)c3COC(C)=O)N=C2)c(F)c1
+CC(C)(C)c1cc2c(cc(C(=O)O)cc2)cc1
+CC(C)(C)c1cc2c(cc(cn2)C(O)=O)cc1
+CC(C)(C)c1cc2ccc3ccc(-c4ccc(cc4)Cl)c5ccc(c1)c2c35
+CC(C)(C)c1cc2nc(C)c(C(C(=O)O)CCC)c(-c3cc4c(cc3)cccc4)n2n1
+CC(C)(C)c1cc2ncc(C#Cc3ccccc3)cn2n1
+CC(C)(C)c1ccc(C2CC2C(=O)N3CC(C)OC(C)C3)s1
+CC(C)(C)c1ccc(C=O)c(Cl)c1
+CC(C)(C)c1ccc([N+]([O-])=O)cc1OCCN2CCCCC2
+CC(C)(C)c1ccc(c(Br)c1)OCOCCOC
+CC(C)(C)c1ccc(c(c1)Oc2scc(C(=O)Nc3c(OC)nc(nc3OC)NCCS(=O)(=O)NC(C)C)n2)C
+CC(C)(C)c1ccc(cc1)-c2c(C(Nc3cc4ncc(cc4cc3)C(O)=O)=O)cccc2
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(CC(C)C)c3ccc(cc3)C(=O)O)C
+CC(C)(C)c1ccc(cc1)-c2cc(cc3C(C)(C)CCC(C)(C)c23)C(=O)C=Cc4ccc(cc4)C(=O)O
+CC(C)(C)c1ccc(cc1)-c2cccc(C3C(C)(C)Cc4cc(Cl)cc(C(NS(=O)(=O)C5CC5)=O)c4N3)c2
+CC(C)(C)c1ccc(cc1)-c2n(C)nc(C(=NNC(c3ccc(c(c3)O)C(=O)O)=O)C)c2O
+CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)c3cc(ccc3)NC(=O)CC
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(ccc2)-c3cn4c(ncc4)c(Nc5ccccc5)n3
+CC(C)(C)c1ccc(cc1)C(CCCN2CCN(CC2)c3cc(F)c(cc3F)O)=O
+CC(C)(C)c1ccc(cc1)C(c2cc(-c3cc(ccc3)S(=O)(=O)NC4CC4)cnc2N)=O
+CC(C)(C)c1ccc(cc1)C2=Nc3c(cccc3)C(=O)O2
+CC(C)(C)c1ccc(cc1)C=2NC(=O)c3ccnn3C=2
+CC(C)(C)c1ccc(cc1)C=CC(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O
+CC(C)(C)c1ccc(cc1)CC(c2ccc(cc2)Cl)=NN
+CC(C)(C)c1ccc(cc1)CN2C(=O)C(C(NCC(=O)O)=O)C(N(C3CCCCC3)C2=O)=O
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(CCC2)Cc3ccc(cc3)NS(=O)(=O)C
+CC(C)(C)c1ccc(cc1)CN2c3c(N(Cc4ccc(cc4)NS(=O)(=O)C)C2=O)cccc3
+CC(C)(C)c1ccc(cc1)CNC(=O)c2cc3c(ncc(O)c3)nc2C
+CC(C)(C)c1ccc(cc1)CNC(C(C)c2cc3[nH]nnc3cc2)=O
+CC(C)(C)c1ccc(cc1)Cn2c(cc3c2ccc(OC)c3)COC(C)=O
+CC(C)(C)c1ccc(cc1)N2Cc3c(C2=O)c(ccc3)Br
+CC(C)(C)c1ccc(cc1)NC(=O)NCCCOS(=O)(=O)C
+CC(C)(C)c1ccc(cc1)NC(=O)c2cccc(-c3nc(Nc4ccc(cc4)C(N5CCOCC5)=O)c6n(c3)ccn6)c2
+CC(C)(C)c1ccc(cc1)NC(N2C3CN(CC2CC3)c4ncccc4Cl)=O
+CC(C)(C)c1ccc(cc1)NCc2cc(c(cc2)NC(=O)OCC)N
+CC(C)(C)c1ccc(cc1)Nc2nc(N)nc(c2)OCc3ccccc3C(F)(F)F
+CC(C)(C)c1ccc(cc1)Oc2c(n(c3ccccc23)Cc4cc(OCCOC)cc(c4)OCCOC)C(=O)O
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CC(N(Cc2nc(ccc2)C)CC)=O)c3ccc(N)nc3
+CC(C)(C)c1ccc(cc1)S(=O)(=O)NCC(C)(C)c2c3ccccc3[nH]c2
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2nc(nc(OCCCO)c2Oc3ccccc3OC)N4CCOCC4
+CC(C)(C)c1ccc-2c(OP(Oc3c(OC)cc(cc-23)C)OC4CC(C)CCC4C(C)C)c1
+CC(C)(C)c1ccc2c(nc(-c3cc(cc(COc4cccc(c4)Cl)c3)[N+](=O)[O-])o2)c1
+CC(C)(C)c1cccc(C2=NN(C(C2=CN)=O)c3sc4c(cccc4)n3)c1
+CC(C)(C)c1cccc(OCCCOc2ccc(cc2)C(CC(O)=O)C#CC)c1
+CC(C)(C)c1cccc(c1O)C(c2cccc(-c3c(OC)cccc3)c2)c4ccccc4
+CC(C)(C)c1ccccc1OCCN(C)C(=O)c2n[nH]c3c2CN(C3)C(=O)OC(C)(C)C
+CC(C)(C)c1ccccc1Oc2nc(Br)ccc2N
+CC(C)(C)c1n(C)nc(NC(C(P(OC)(OC)=O)OC)=O)c1
+CC(C)(C)c1nc(-c2oc3c(c2)cc(Cn4cc(c5cc(OC)ccc45)C#N)cc3)sc1
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)CSc4c(CCl)cccc4)sc1
+CC(C)(C)c1nc(C(=O)O)c(Cl)c(N)c1F
+CC(C)(C)c1nc(NC(=O)c2c(O)ccc(Br)c2)sc1
+CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCCNC(=O)c3cccc(F)c3)C4CCC4
+CC(C)(C)c1nc2c(c(N3CC4(COC4)C3)n1)ccn2Cc5c(cccc5)Cl
+CC(C)(C)c1nc2cc(N(C)S(=O)(=O)c3cccc(c3)N)ccc2n1CC4CCCCC4
+CC(C)(C)c1nccc(-c2scc(c2)-c3c(Cl)cc(NS(=O)(=O)C)cc3)c1
+CC(C)(C)c1nn(-c2c(cccc2)C)c(N)c1Br
+CC(C)(C)c1nn(c(N)c1)CCO[Si](C)(C)C(C)(C)C
+CC(C)(C)c1nn(c(NC(Oc2ccccc2)=O)c1)-c3ccnc(N(CCN(C)C)C)n3
+CC(C)(C)c1nnc(-c2c(N)ncc(-c3n(C)nc(C4CCN(CC4)C(C(CO)C)=O)n3)n2)o1
+CC(C)(C)c1nnc(NC(N(C(C)C=O)C)=O)s1
+CC(C)(C)c1nnc(NC(N(CCCl)C)=O)s1
+CC(C)(C)c1nnc(s1)N2C(OC(Oc3cc(ccc3)[N+]([O-])=O)=O)CCN(C)C2=O
+CC(C)(C)c1occ(CC#N)n1
+CC(C)(C)c1onc(NC(n2c3c(cc2C)c(c(cc3)Oc4cc(CNC)ncn4)F)=O)c1
+CC(C)(C)c1onc(NS(=O)(=O)c2ccccc2)c1Br
+CC(C)(C)c1onc(c1)NC(NC2CCC(c3c2cccc3)Oc4ccc5nnc(N6CCCCC6C)n5c4)=O
+CC(C)(C)c1sc2c(n1)cc(c(NC(N3CCCCC3)=S)c2)N4CCN(CC4)C
+CC(C)(C)n1c2c(CC(C(=O)O)(C)CC2)c(n1)-c3ccncc3
+CC(C)(C)n1nc(CCCN2CCN(CC2)c3ccc(cc3)Cl)cc1-c4ccc(cc4)Cl
+CC(C)(C)n1nc(cc1CC(C)C)CNCCN2CCN(CC2)c3c(C)cc(C)cc3
+CC(C)(C)n1nc(cc1NC(C(N)C)=O)C2(CCN(CC2)C)c3ccccc3
+CC(C)(C1Cc2c(cc(OC)c(c2)OCCOCC)C3=CC(C(C(O)=O)=CN13)=O)COC
+CC(C)(C=O)COC1OCCCC1
+CC(C)(CC(=O)Cc1ccc(C#N)cc1Cl)c2c3c(CCO3)ccc2
+CC(C)(CC)C(=O)C(=O)N1C(C#N)CCC1
+CC(C)(CC)N=C(NC#N)Nc1cc(cc(N=[N+]=[N-])c1)I
+CC(C)(CC)c1cc(C(C)(C)CC)c(cc1)Oc2ccc(cc2C(Nc3ccccc3)=O)O
+CC(C)(CC)c1ccc(OC(C(=O)Nc2cc(O)c(cc2)NC(=O)C(F)(F)C(Cl)F)CC)c(c1)C(C)(C)CC
+CC(C)(CC)c1ccc(OCC(=O)Nc2ccc(cc2)Nc3cc(ccc3)O)c(C(C)(C)CC)c1
+CC(C)(CC1(CC(N(C(C)c2ccc(cc2)-c3ccc(O)nc3)CC1)=O)c4ccccc4)O
+CC(C)(CC1(CCN(C(O1)=O)C(C)c2ccc(cc2)-c3nnc(C)cc3)c4ccccc4)C#N
+CC(C)(CC1Cc2c(C1)cccc2)NCC(c3c(F)c(F)cc(c3)CCC(OCC)=O)O
+CC(C)(CC=C)CCOC(c1ccc(cc1)[N+](=O)[O-])=O
+CC(C)(CCC)C(N)=O
+CC(C)(CCC)CC(CC(OCC)=O)=O
+CC(C)(CCCC(CC=CC(=CCBr)C)C)OC
+CC(C)(CCCC1(C(C1)CO)C)O
+CC(C)(CCCCOCCCCI)C(=O)OCC
+CC(C)(CCCOS(=O)(=O)c1ccc(cc1)C)NC(=O)OCc2ccc(cc2)[N+]([O-])=O
+CC(C)(CCCc1ccc2cc(c(cc2c1)N3S(=O)(=O)NC(=O)C3)O)CO
+CC(C)(CCN)COC1CCCCO1
+CC(C)(CCNc1nc(-c2n3ccnc(C)c3nc2-c4ccc(F)cc4F)ccn1)O
+CC(C)(CCOC(=O)CCCCCCCCC)C(O)=O
+CC(C)(CN(c1nc(Nc2ccc(cc2OC)C(=O)OC)ncc1Br)C3CCCC3)C(NC)=O
+CC(C)(CN)c1cc(c(cc1)OC)OC
+CC(C)(CN1C(c2cc(Cc3ccc(cc3)-n4nccc4)c(C)c(C)c2C1)=O)O
+CC(C)(CN1CCC(CC1)CNC(c2c3n(cc(CC)n3)c(N)c(Cl)c2)=O)OC
+CC(C)(CN1CCCC(CNC(=O)Nc2cc(-c3n(nnn3)C)ccc2)C1)Cc4ccc(cc4)F
+CC(C)(CNC(c1ccc(c(Cl)c1)Cl)=O)NCCC=C
+CC(C)(CNC(c1n2c(c(cc(C)c2)OCc3c(ccc(c3F)F)F)nc1C)=O)N
+CC(C)(CNc1nn2c(cc1C3CCC3)nnc2-c4ccccc4)CN(C)C
+CC(C)(CO)CNC(=O)c1c2nc(-c3nn(C)c4cc(F)ccc34)cnc2[nH]c1
+CC(C)(COc1ccc(cc1)OC)C=O
+CC(C)(CSc1ccc(Cl)nn1)NCC(O)COc2c(CCOC)cccc2
+CC(C)(Cc1c(C(C)OCC(CN2C(CCC2)Cc3cc(F)c(C)cc3)O)cccc1)C(=O)OC
+CC(C)(Cc1cc(C(=O)OC)ccc1)N
+CC(C)(Cc1ccc(cc1)CCBr)C(=O)OC
+CC(C)(Cc1n(c2c(c1)cc(OCc3ccc4occc4n3)cc2)Cc5ccc(cc5)Cl)C(O)=O
+CC(C)(Cc1n(nc(c1)C(=O)N)CCCC)O
+CC(C)(Cn1c2c(c(N)nc3cccnc23)nc1CO)F
+CC(C)(Cn1c2c3ccccc3nc(N)c2nc1CONC(C4CC4)=O)O
+CC(C)(Cn1cc(-c2cn3ncc(c(c3c2)NC4CN(c5ccc(cn5)C#N)CC4C)C(=O)N)cn1)O
+CC(C)(N)CNc1cc(cc2c1ccnc2)-c3ccncc3
+CC(C)(N=NC(Cl)(CCC(OCCCC)=O)C)CC
+CC(C)(NC(C(COC)Oc1ccc2c(c1)scn2)=O)C#CC
+CC(C)(NC(C(Oc1ccc2ccc(cc2c1)C)CC)=O)COC
+CC(C)(NC(C(SC)Oc1ccc2c(cc(Br)cn2)c1)=O)C=NOCCCC
+CC(C)(NC(Cn1c(cc(-c2cnn[nH]2)n1)Cc3ccc(cc3)F)=O)CN4CCOCC4
+CC(C)(NCC(F)(F)CN)C(=NO)CCn1c([N+]([O-])=O)ncc1
+CC(C)(NS(=O)(=O)C)Cn1c(COCC)nc2c(N)nc3c(ccc(OCC#Cc4cccs4)c3)c12
+CC(C)(Nc1nc(NCC)c(c(n1)OC)C#N)C#N
+CC(C)(O)CN1CCC(CC1)(C#N)c2ccc(cn2)N
+CC(C)(O)CNC(c1ccc(Cn2c(c(c(n2)C)-c3cc(c(C#N)cc3)Cl)C)cn1)=O
+CC(C)(O)COc1c(cc(N2C(C=C(OCc3ccc(cc3)Cl)N=C2)=O)cc1)OC
+CC(C)(O)COc1ccc(cc1OC)N2C(C=C(C=C2)OCc3ccc(cc3)F)=O
+CC(C)(O)Cn1c(nc2c(N)nc3c(ncc(c3)-c4cc(ccc4)CO)c12)CO
+CC(C)(O)Cn1c2c(nc1COCC)c(N)nc3c2ncc(-c4cnc(cc4)F)c3
+CC(C)(O)c1c(NC(=O)C)cccc1OC
+CC(C)(O)c1cc(F)c(CN)cc1
+CC(C)(O)c1cc(N)nc(C)c1
+CC(C)(O)c1ccc2c(CCN(C2=O)c3cccc(Br)c3COC(=O)C)c1
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+CC(C)(c1cc(ccc1OC(CC)=O)P(CP(OCC)(OCC)=O)(OCC)=O)CC(=O)O
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+CC(C)(c1cc2cccnc2c(c1)-c3cccc(CC(c4ccc(cc4)SC)C(=O)c5ccccc5)c3)S(=O)(=O)C
+CC(C)(c1ccc(-c2nc(NC(C)C)c3c(c2)N=CN(C)C3=O)cn1)O
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+CC(C)(c1sc(cc1)I)c2n(c(nn2)C3CC3)C4CC4
+CC(C)(c1sc(nn1)NC(c2cc(ccc2F)S(=O)(=O)NCC)=O)c3ccccc3
+CC(C)(c1sc2c(c(N3CCOCC3)nc(-c4cnc(nc4)N)n2)c1)OC
+CC(C)(n1ncc(c1)-c2ncnc3c2cc[nH]3)CCC#N
+CC(C)(n1ncc(c1)[N+]([O-])=O)CI
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+CC(C)=CCC1OC1(C2C(CSCc3ccccc3CCl)(CCC(OC(=O)NC(=O)CCl)C2OC)O)C
+CC(C)=CCCC(=CCCC(=CCCC(C)=CCSCCNC(=C[N+](=O)[O-])NC)C)C
+CC(C)=CCCC(=CCCC(=CCCCOCC(CO)O)C)C
+CC(C)=CCCC(CCOC(=O)CCC(=O)Cl)C
+CC(C)=CCCc1n[nH]c(C(=O)O)c1
+CC(C)=NOc1c(C(c2ccc3c(c2)ccc(c3)OC)=O)ccc(OC)c1
+CC(C)C(=O)NC1C(CCCC1)Oc2cccc3c2c(c(C(=O)OCC)c(C)n3)N
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+CC(C)C(C(=O)NC1CCCCC1)NC(CCCCCCCCCCC)=O
+CC(C)C(C(=O)O)N1CCCCC1=O
+CC(C)C(C(=O)OC1C(C#C)(C(OC1CO)n2c3c(cc2)c(N)ncn3)O)N
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+CC(C)C(C(C)C)(OOC(CN=[N+]=[N-])COS(=O)(=O)C)P(O)(O)=O
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+CC(C)C(C(NCCS)=O)N
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+CC(C)C(COCc1ccccc1)N
+CC(C)C(N(C(c1cc(c(cc1)F)C)=O)C)CN2CCC(CC2)O
+CC(C)C(N1CC(c2c1cc(c(OC)c2C)C)C)=O
+CC(C)C(N1CCC(CC1)CBr)=S
+CC(C)C(N1CCN(CC1)c2ccc(NC(c3ncccc3)=O)cc2Cl)=O
+CC(C)C(N1Cc2c(ccc(c2)-c3ccc(cc3)NC(Nc4c(C)cccc4)=S)C1=O)C(O)=O
+CC(C)C(NC(=O)OC)C(N1CC2(OCCO2)CC1C(NCC(c3ccc(cc3)Br)=O)=O)=O
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)OC2CCC(CC2)C(=O)OCI
+CC(C)C(NCCCOc1cc2c(cc1)c3c(c(n2)N)nc(CCO)n3CCC)=O
+CC(C)C(NCc1c(cccc1)N)CN2CCC(CC2)Cc3cc(c(Cl)cc3)Cl
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+CC(C)C(OC(CC)COc1ccc(cc1)CC)=O
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+CC(C)C(c1cc(C)c(cc1OCC(=O)OCC)OC)O
+CC(C)C(c1cc(C)ccc1OC)CCC(=O)O
+CC(C)C(c1cc(OC)cc(c1)OC)(CC2CN(CCc3cc(OC)cc(c3)OC)CCC2)C#N
+CC(C)C(c1ccc(C#N)nc1)=O
+CC(C)C(c1ccc(c(c1)[N+]([O-])=O)NC)n2cncc2
+CC(C)C1(CCN(C(O1)=O)C(c2ccc(cc2)Br)C)CC(=C)C
+CC(C)C1(NC(=NC1=O)c2nc3ccc(cc3cc2C(O)=O)OC(F)F)C
+CC(C)C1C2C3C(C1CC2)CCCC3NC(=O)c4c(F)n(nc4C(F)F)C
+CC(C)C1CCCC(C1)C(C)C(C=O)C
+CC(C)C1COC(=O)N1c2nc(ncc2)NC(C)c3ccc(cc3)CN4CC(C)(C)NCC4
+CC(C)C=1Oc2c3c(ccc2C(=O)C=1c4ccc(cc4)Cl)[nH]cn3
+CC(C)CC(=CCCC(CC)=CCOc1cc2c(OCO2)cc1)C
+CC(C)CC(C(=O)NC(C(OC)=O)CCC(NCCCN=[N+]=[N-])=O)NC(C(NC(=O)OCc1ccccc1)CC#C)=O
+CC(C)CC(C(=O)NC(CCc1ccccc1)C(=O)NC)CC(=O)NOC2CCCCO2
+CC(C)CC(C(=O)NC(CO)C(O)C(O)C(O)C(=O)NC(c1ccccc1)CC(N)=O)N
+CC(C)CC(C(=O)NC)NC(=O)C(CC(C)C)CP(=O)(O)CN1C(CCC1=O)=O
+CC(C)CC(C(=O)NCC=O)CS
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+CC(C)CC(C(N(C)C(CCCC)C(N)=O)=O)NC(C(Cc1c2ccccc2[nH]c1)N)=O
+CC(C)CC(C(NN(C(=O)C(O)(C)C(=O)OCC)C)=O)NC(C(C)NC(C(C)NC(C)=O)=O)=O
+CC(C)CC(C(O)CC(=O)OC)NC(C(NC(CC(C(N)CC(C)C)O)=O)C)=O
+CC(C)CC(C(O)CNCc1ccccc1)NC(OCc2ccccc2)=O
+CC(C)CC(C)N(CC(CCCC)CC)CCCCCCCCCCCC
+CC(C)CC(CC(=O)NO)C(=O)NC1Cc2c3c(cccc3)n(c2)CCCCCCNC1=O
+CC(C)CC(CCC)NC(=O)c1cc(C)c(OC)cc1
+CC(C)CC(CO)Nc1c(cnn2cc(cc12)-c3cc(N(C)C)ccc3)C(=O)N
+CC(C)CC(N)COc1cc2OC(c3c(-c2cc1)ccnc3NC(C)=O)C
+CC(C)CC(NC(=O)c1cc2ccccc2s1)C(NCCCC(NS(=O)(=O)c3c(cc(cc3)F)Cl)CO)=O
+CC(C)CC(NC(=O)c1cc2ccccc2s1)C(NCCCN(S(=O)(=O)c3ccccc3[N+]([O-])=O)C)=O
+CC(C)CC(c1c2c(sc1-c3cc4ccc(c(c4cc3)Br)OCc5[nH]nnn5)cccc2)=O
+CC(C)CC(c1csc(n1)-c2ccccc2)C(=O)NCC#N
+CC(C)CC12CC1CC(C(C)O)C(C2)C
+CC(C)CC1CSC(=Nc2c(C)cc(cc2)Cl)N1CC(C)C
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(=O)N3CCC(CC3)C(=O)O)c4c(cccc4)Br
+CC(C)CC1c2c(cc(cc2)Cl)C(CN(C1=O)CC(N3CCC(CC3)CC(=O)OCC)=O)c4c(cccc4)Br
+CC(C)CC=CC(=O)Cl
+CC(C)CCCC(CC(C)=O)C
+CC(C)CCCC(CCCC(C)=CCCCOCC(CO)O)C
+CC(C)CCCC(CCOCCCCn1cncc1)C
+CC(C)CCCCCCBr
+CC(C)CCCNCC1c2cccc(c2CCC1)Oc3ncc(cc3)C(N)=O
+CC(C)CCN(Cc1nc2n(cccc2)c1Cc3c(O)ccc(Br)c3)C(c4c(Cl)c(OC)c(cc4)OC)=O
+CC(C)CCN1C(=O)C(=C(O)c2n1cc(F)c2)C=3NS(=O)(=O)c4cc(ccc4N=3)NS(=O)(=O)C
+CC(C)CCN1C2C(C3CCC2C3)C(=C(C=4Nc5c(S(=O)(=O)N=4)cc(cc5)N(S(=O)(=O)C)C)C1=O)O
+CC(C)CCN1c2ccccc2CC(C1=O)CC(=O)NO
+CC(C)CCNC(=O)CN1C=CC=C(N)C1=O
+CC(C)CCNCc1cc(F)c(Oc2cc3c(cc2)C(OC(C)(C)O3)=O)cc1
+CC(C)CCOCCCCOCCCCCCBr
+CC(C)CCn1c2ccc(C(=O)OC)cc2nc1CN3c4ccccc4C(=O)N(C5CC5)C3=O
+CC(C)CN(C(=O)c1nc(ccc1)F)Cc2c(c3n(ncn3)cn2)CCC
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc(c(NCCCN(C)C)c1)N)=O
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc(c(c1)NCCCN2CCCCC2)N)=O
+CC(C)CN(CC(OC)=O)C(CNC(=O)C1COc2ccc(cc2C1)OC)=O
+CC(C)CN1C(=O)C(C(=O)NNC(=O)CCCCCCCCCCC)=C(c2c1cccc2)O
+CC(C)CN1C(=O)N(Cc2ncccc2)C(=O)c3c1nn(Cc4c5c(cccc5)sc4)c3-c6cccn6C
+CC(C)CN1C(=O)n2cnnc2-c3[nH]c(nc13)Br
+CC(C)CN1C(N(CC1)c2nc(c(C(=O)NCc3ccn(C)n3)s2)C)=O
+CC(C)CN1c2nn(Cc3ccnc4ccc(cc34)Cl)c(-c5n(C)ccc5)c2C(NC1=O)=O
+CC(C)CNC(=S)Nc1cc(NC(=O)Nc2ccc(cc2)Cl)ccc1
+CC(C)CNCC(=O)N1CCOCC1
+CC(C)CNCc1cc2[nH]c(-c3c(OC(C)C)ccc(OCc4ccccc4)c3)nc2nc1
+CC(C)CNc1c(N)cc(C(=O)C)cc1
+CC(C)CNc1nc2c(n3c(cnc13)-c4cc5c(cc4)OCCO5)cccc2
+CC(C)COC(=O)N(C1CN(C(C2CCN(CC2)c3ccc(C#N)cn3)=O)CC1c4ccc(cc4)Cl)C
+CC(C)COC(Nc1ccc(c(c1)F)Br)=O
+CC(C)COC(c1cc(-n2c3ccc(cc3cn2)OC(C(NC(=O)C(F)(F)C)C)c4ccc5c(OCOC5)c4)ccc1)=O
+CC(C)CON=C(C(NC1C(=O)N2C1SCC=C2C(O)=O)=O)c3nc(sc3)N
+CC(C)COP(CCCN)(=O)C
+CC(C)COc1c(C#N)cc(-c2sc3c(cccc3O)n2)cc1
+CC(C)COc1c(CCC(OCC)=O)cc(C(c2c(OCC(C)C)cc(OCC(C)C)cc2)N)cc1
+CC(C)COc1ccc(cc1C#N)-c2nccc(C(OC)=O)c2
+CC(C)COc1ccc(cc1Cn2nc(N)cc2CC)Cl
+CC(C)COc1ccc2c(c(nn2C)C=O)c1
+CC(C)Cc1c(O)cc(O)c(C(=O)C)c1
+CC(C)Cc1c2c(ncc1N)cccc2
+CC(C)Cc1cc(ccc1-c2ccc(-c3cc(Cc4c5c(cccc5)ccc4)c(O)cc3)c(CC(C)C)c2)CCC#N
+CC(C)Cc1ccc(N2CCN(CC2)C(OCC(NC)=O)=O)cn1
+CC(C)Cc1nc(nc(OC)c1)OC
+CC(C)Cc1sc(S(=O)(=O)NC(OCCCC)=O)c(-c2cc(ccc2)Cn3nccc3)c1
+CC(C)Cn1c(cc(C(OCC)=O)n1)-c2ccc(cc2)-c3ccc(c(S(=O)(=O)C)c3)CO
+CC(C)Cn1c2c(c(cc(-c3ccc(-c4cccc(n4)C)cn3)c2)C)c5ccccc15
+CC(C)Cn1c2c(nc1COc3cccc(OCC)c3)ccc(c2)OCC(OCC)=O
+CC(C)N(C(C)C)C(=O)c1ccc(cc1)OCCCCCOc2ccc(cc2)C(=N)NO
+CC(C)N(C(C)C)C(c1c(O)cc(OCCCCCOc2ccc(cc2)C#N)cc1)=O
+CC(C)N(C(C)C)CC#CCCC=O
+CC(C)N(C(C)C)CC#Cc1c2c(nc(nc2n(c1)Cc3c(c(c(C)cn3)OC)C)N)Cl
+CC(C)N(C(C)C)CCCSc1cc(c(cc1)N)C
+CC(C)N(C(C)C)CCN1C(C(=NNC(=O)N)c2cc(ccc12)NC(C)=O)=O
+CC(C)N(C)C1c2n(c3c(cccc3)c2C)CCC1
+CC(C)N(C1CC(C(N2CCC(C2=O)N)CC1)NC(C)=O)C
+CC(C)N(C1CCC(N2C(C(N)CC2)=O)C(C(CC)O)C1)C
+CC(C)N(Cc1ccccc1)C(=O)CN2C(=O)Cc3n(-c4cc(F)c(cc24)F)c(-c5ccccc5)nn3
+CC(C)N(S(=O)(=O)c1ccc2N(CCOc2c1)C)Cc3c(nc4c(cccc4C)c3)O
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NCCc3cccc(C#N)c3
+CC(C)N1C(=O)C(C(=O)N(C(C)C)C1=O)C(NCC(=O)O)=O
+CC(C)N1C(=O)C(CC)(CC)c2cc(NC(C)=O)ccc12
+CC(C)N1C(C(=Nc2cc(Br)c(CC)nc12)C)=O
+CC(C)N1C(C(Oc2cc(C(Cl)=O)ccc12)CC)=O
+CC(C)N1C(c2cc(ccc2C(=N1)Br)CSC)=O
+CC(C)N1CC(Oc2ccc(Cl)cc2Br)CC1
+CC(C)N1CC2N(CCC2C1)c3ccc(cc3)-c4ccc(cc4)C#N
+CC(C)N1CCC(CC1)CC#Cc2c3c(c(nc(CCCC)n3)N)n(COCc4ccccc4)c2
+CC(C)N1CCN(CC1)C(=O)c2nc(c(s2)-c3c4c(ccc3)cccc4)C
+CC(C)N1CCN2C(=C(C(=O)N=C2Cc3c(Cl)cccc3Cl)O)C1=O
+CC(C)N1N=C(Br)c2ccc(OC)cc2C1=O
+CC(C)N1N=C(Br)c2ccc(SCCSC)cc2C1=O
+CC(C)N1N=C(C=CC1=O)c2c3n(ccc(OCCN)c3)nc2-c4ccccc4
+CC(C)N1N=C(c2cc(ccc2)Cl)c3c(cccn3)C1=O
+CC(C)N1c2c(CCC1)cc(C(C)=CCO)cc2
+CC(C)N1c2c(c(ccc2)Cl)C=C(C1=O)C(=O)NCC3CCN(CC3)CC4(CCOCC4)O
+CC(C)N1c2cc(ccc2C(C)(C)C1=O)NC(c3cnccc3)=O
+CC(C)N1c2ccc(cc2CC1=O)N
+CC(C)N1c2cccc(c2NC1=O)F
+CC(C)NC(=O)c1[nH]c(C=O)nc1
+CC(C)NC(=O)c1c(Nc2c(cnc(n2)Nc3cccc(c3)N4CCN(CC4)C)Cl)cccc1
+CC(C)NC(=O)c1ccccc1Nc2c(F)cnc(Nc3ccc(cc3)CNCCS(=O)(=O)C)n2
+CC(C)NC(=O)c1sc(cc1OCc2ccccc2C)-n3cnc4ccccc34
+CC(C)NC(C)(C(CCCO)c1cc(Cl)ccc1)c2ccc(cc2)Cl
+CC(C)NC(N1CCN(C(=O)C1)CC=C)=O
+CC(C)NCC(OC(C(O)C(C(O)C(CO)O)O)=O)c1c(c(C)cs1)C
+CC(C)NCCOc1c(NS(=O)(=O)C)cc(cc1)N
+CC(C)NCc1cccc(c1)-c2cc(ccc2OC)N
+CC(C)Nc1c(Nc2ccccc2)nccc1
+CC(C)Nc1cc(Nc2cc3c(ncs3)cc2)ncc1-c4nnc(o4)NC5CCN(CC5)S(=O)(=O)C
+CC(C)Nc1cc(ncc1-c2nnc(CN3CCOCC3)o2)Nc4ccc(cc4)C#N
+CC(C)Nc1cc(ncc1C(NC2CCC(CC2)=O)=O)Nc3cc4c(ncs4)cc3
+CC(C)Nc1ccc(cc1)C(C(=O)Nc2ccc(cc2)-c3cc(C)ncc3)C
+CC(C)Nc1ccccc1N
+CC(C)Nc1nc(C)cc(C(N)=NO)n1
+CC(C)Nc1nc2c(F)c(F)c(Cl)cc2[nH]1
+CC(C)Nc1nc2c(cc(C=O)cc2F)s1
+CC(C)Nc1sc(-c2cn3c(c(c2)-c4ccccc4)nc(CO)c3)cn1
+CC(C)Nc1sc(-c2cn3c(nc(C(NC)=O)c3)c(-c4ccccc4)c2)cn1
+CC(C)Nc1sc(-c2cn3cc(nc3c(c2)-c4ccccc4)C(=O)OCC)cn1
+CC(C)Nn1c2c(c(N)nc3cc(-c4cccc(NS(=O)(=O)C)c4)ccc23)nc1CCC
+CC(C)Nn1cnc2c(N)nc3c(cccc3)c12
+CC(C)OC(=O)N1CCN(CC1)c2ccn3ncc(-c4ccccc4OC)c3n2
+CC(C)OC(=O)c1cccnc1N2CCC(N(CC)Cc3sc(c(C)c3)C)C2
+CC(C)OC(CN1C(N(C(N(C)C1=O)=O)c2c(cc(c(N3C(c4c(C3=O)c(F)ccc4)=O)c2)F)Cl)=O)=O
+CC(C)OC(Cc1c(cc(cc1)[N+](=O)[O-])[N+]([O-])=O)=O
+CC(C)OC(Nc1c(C(OC)=O)ccc(Br)c1)=O
+CC(C)OC(Nc1cc(-c2[nH]c3ncc(cc3n2)Br)c(Cl)cc1)=O
+CC(C)OC1CCC(CC1)N2CCC(CC2)Nc3c(cc(c(c3)C)F)N
+CC(C)OC=1C=C(C)N(C(=O)C=1[N+](=O)[O-])CC(=O)OC
+CC(C)ON=C(C(NC1C2SCC(CSc3nnnn3C)=C(N2C1=O)C(=O)O)=O)c4nc(sc4)N
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3c4c(C(O)CCC4)ccc3)cc1
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3cccc4c3CCC4N5CC(C5)O)cc1
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(-c3c4CCC(O)c4ccc3)s2
+CC(C)Oc1c(Cl)cc(F)c(N2C(C3=C(CCC3)N(C)C2=O)=O)c1
+CC(C)Oc1c(Cl)cc(c(N2C(=O)C3=C(C2=O)CCCC3)c1)F
+CC(C)Oc1c(cc(S(=O)(=O)C)cc1)C(N2CCN(CC2)c3nc4c(cc([N+]([O-])=O)cc4)s3)=O
+CC(C)Oc1c(cc(c(c1)C2=CCC(CC2)N(C)C)C)[N+]([O-])=O
+CC(C)Oc1c(cc(cc1)-c2onc(-c3cc4c(C(CCC(=O)OC)NCCC4)cc3)n2)Cl
+CC(C)Oc1c(cnc(NC(=O)N2c3c(CCC2)cc(c(C=O)n3)CN4C(CN(C)CC4)=O)c1)C#N
+CC(C)Oc1c2c(C(CCC2)=C)ccc1OC
+CC(C)Oc1cc(-c2cn(nc2)C)c3ccnc(O)c3c1C
+CC(C)Oc1cc(-n2c(C)c(c(C)n2)C)c(F)cc1Cl
+CC(C)Oc1cc(C(=O)Nc2ccc(cn2)C(O)=O)cc(OCC(C)C)c1
+CC(C)Oc1cc(c(C#C)cc1Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c(C)cn2)C
+CC(C)Oc1cc(ccc1C#CC2CC2)C(=O)NS(=O)(=O)c3ccccc3S(=O)(=O)N
+CC(C)Oc1cc2c([nH]nc2N)cc1
+CC(C)Oc1ccc(-c2nc(no2)-c3c4c(c(cc3)OCC(O)=O)cco4)cc1Cl
+CC(C)Oc1ccc(-c2nc(no2)-c3cccc(c3CC)CCC(=O)O)cc1Cl
+CC(C)Oc1ccc(-c2onc(-c3cccc4c3n(cc4CN5CCC(CC5)C(=O)O)C)n2)cc1Cl
+CC(C)Oc1ccc(C(C)=O)nc1
+CC(C)Oc1ccc(COc2ccc3c(c(c4C(CC(=O)O)CCn34)Cl)c2)cc1C#N
+CC(C)Oc1ccc(cc1)-c2cc(cc(n2)-c3ncccc3)F
+CC(C)Oc1ccc(cc1C(N2CCC(Oc3c(cc([N+](=O)[O-])cc3)F)C2)=O)S(=O)(=O)C
+CC(C)Oc1ccc(cc1Cl)-c2nc(-c3c4c(ccc3)n(CCC(=O)OCC)nc4)no2
+CC(C)Oc1cccc(c1)C(CC(=O)O)N
+CC(C)Oc1ncc(OCc2c(cc(C(=O)NS(=O)(=O)N3CCC3)c(c2)F)F)cc1Cl
+CC(C)Oc1ncc(cc1Cl)-c2nc(no2)-c3cncc4n(ccc34)CCCC(O)=O
+CC(C)Oc1ncccc1Nc2c3c(C)c(sc3ncn2)C(=O)O
+CC(C)S(=O)(=O)NC1C(O)(c2ccc(cc2)F)CCC1
+CC(C)S(=O)(=O)NC1CCCCC1(O)c2ccc(cc2)OC
+CC(C)S(=O)(=O)c1ccccc1Nc2cc(ncc2Cl)Nc3c(cc(-c4ccc(cc4)C(OC)=O)c(c3)C)OC
+CC(C)S(=O)(=O)c1ccccc1Nc2nc(Nc3cc(P(C)(C)=O)ccc3OC)ncc2Cl
+CC(C)Sc1c(C=C)cc(cc1)[N+]([O-])=O
+CC(C)Sc1ccccc1C=C
+CC(C)[SiH](C(C)C)c1c(C)cc(cc1C)OCCC(=O)NCc2ccccc2
+CC(C)[Si](C(C)C)(C(C)C)OC1=CCC(CC1)c2c(cc(c(F)c2)F)F
+CC(C)[Si](C(C)C)(C(C)C)OC1CN(CC1)c2n3c(ccc(c3)OC4CCC(c5c4cccc5)N)nn2
+CC(C)[Si](C(C)C)(C(C)C)OCC#Cc1cc2OCCN3c2c(c1)C(=O)C(C(NCc4ccc(cc4)Cl)=O)=C3
+CC(C)[Si](C(C)C)(C(C)C)OCC(COCc1ccc(cc1)Br)C
+CC(C)[Si](C(C)C)(C(C)C)OCC1(CCCCC1)N
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)CC(=O)N2C(COC2=O)Cc3ccccc3
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCN(C1)c2nnc3n2cc(cc3)OC4CCC(c5c4cccc5)N
+CC(C)[Si](C(C)C)(C(C)C)OCCc1cc(OCCCOC)ccc1Br
+CC(C)[Si](C(C)C)(C(C)C)OCc1c2nccn2cc(Br)c1
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1)C(CN2CCC(CC2)(O)c3ccc4CCOCc4c3)=O)F
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C=Cc3ccccc3O)F
+CC(C)[Si](C(C)C)(C(C)C)Oc1ccc(cc1)C=C
+CC(C)[Si](C(C)C)(C(C)C)c1cc(ccc1)-c2ccccn2
+CC(C)[Si](C(C)C)(C(C)C)c1cccc(c1C(=O)N(CC)CC)Cl
+CC(C)[Si](C(C)C)(C(C)C)n1c2ccc(C(C3(c4ccccc4)CN(C(=O)OC)CC3)O)cc2cc1
+CC(C)[Si]1(C(C)C)O[Si](C(C)C)(C(C)C)OC2C(O)C(n3c4ncnc(N)c4c(C(N)=O)c3)OC2CO1
+CC(C)c1[nH]nc(c1Cc2ccccc2OCc3cccc(Cl)c3)OC4OC(C(C(C4O)O)O)CO
+CC(C)c1c(C)nc(SC)nc1N2CCOc3ccc(cc3C2)-c4cc5nc([nH]c5cc4)C
+CC(C)c1c(COc2cc(C)c(cc2)C=COC)n(nc1)-c3c(Cl)cccc3Cl
+CC(C)c1c(N)ncnc1N2CCC(C(F)C2)c3n(CCNC)cc(-c4cc(c(cc4)F)C)n3
+CC(C)c1c(OC)cc2C(C)CCCc2c1
+CC(C)c1c([nH]c(C)c1C(=O)OCC)I
+CC(C)c1c(c(cc(Oc2c(cc(N)c(C)c2Br)Br)c1)CO)O
+CC(C)c1c(cc(Cl)cc1)N
+CC(C)c1c(cc(c(OC)c1)C(=NO)N)Oc2cnc(nc2N)N
+CC(C)c1c(cc(c(c1)OC)C#C)Oc2cnc(nc2N)N
+CC(C)c1c(cc2OCOc2c1)CCO
+CC(C)c1c(ccc(C(O)c2c(C)cc(cc2)OC)c1C)OC
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3ccc(c(c3)C)-c4cc(OCCCC)c(C(O)=O)cc4
+CC(C)c1c2[nH]ccc2ccc1
+CC(C)c1cc(-c2csc3c2cc(cc3)C(C)=CC(O)=O)c(c(c1)C(C)C)OC
+CC(C)c1cc(Cl)cc(c1O)N
+CC(C)c1cc(NNC(Nc2cc(Cl)cc(Cl)c2)=O)nc3c(C)ccc(C)c13
+CC(C)c1cc(OC)c(OC)cc1Cc2cnc(nc2NCC)N
+CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)CC(O)=O)nnc1O
+CC(C)c1cc(c(I)cc1Oc2c(N)nc(nc2)NC(CCC(O)=O)=O)OC
+CC(C)c1cc(c(cc1)Nc2ccc(cc2[N+](=O)[O-])F)C#N
+CC(C)c1cc(c(cc1Oc2cnc(nc2N)N)-c3occc3)OC
+CC(C)c1cc(cc(C(C)C)c1C=COC)Br
+CC(C)c1cc(cc(C(C)C)c1CP(OCc2ccccc2)(OCc3ccccc3)=O)C(C)C
+CC(C)c1cc(cc(C(C)C)c1O)C=C(S(=O)(=O)NCCCc2ccccc2)C#N
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2ccc(c(c2)O)C(O)=O)C(c3c(Cc4ccc(cc4)Br)oc(c3C)C)=O
+CC(C)c1cc(nc(n1)N2CCN(CC2)S(=O)(=O)c3ccc(cc3)OC)Nc4ccc(cc4)C
+CC(C)c1cc2c(CCN=C2c3cc(C)c(c(c3)C)F)cc1
+CC(C)c1ccc(c(OCC(=O)NN)c1)CCNS(=O)(=O)c2c(O)ccc(C#N)c2
+CC(C)c1ccc(c(c1)OCc2c3ccccc3c(nc2C)-c4c(ccc5[nH]ncc45)C(C)C)C
+CC(C)c1ccc(cc1)-c2c(cccc2C)C(Nc3cnc(N4CCN(CC4)CC(N)=O)cc3)=O
+CC(C)c1ccc(cc1)-c2n(CCOC)c3c(cc(Cc4cccnc4SC)cc3OC)n2
+CC(C)c1ccc(cc1)C2c3c(C)c(c(c(c3OC2=O)C)Br)C
+CC(C)c1ccc(cn1)NC(c2cnn(c2)C=C)=O
+CC(C)c1ccc2nc(cn2n1)C
+CC(C)c1cccc(C(C)C)c1-n2c3ccccc3nc2-c4cc(ccc4)-c5ccc6c(c7c(cccc7o6)O)n5
+CC(C)c1cccc(C(C)C)c1CO
+CC(C)c1cccc(C(C)C)c1N=Cc2cccc(-c3cc(OCCC=C)c(C)cc3C)n2
+CC(C)c1cccc(C(C)C)c1NC(=O)CN2C(=O)C3(CCN(CC3)C(=O)C)N(c4ccc(cc4)C)C2=O
+CC(C)c1cccc(C(C)C)c1NC(C)(C)c2nc(-c3c(ccc4ccccc34)CNc5ccccc5)ccc2
+CC(C)c1cccc(C(C)C)c1NC(CN2C(N(C(C)(CCC)C2=O)c3ccc(cc3)C)=O)=O
+CC(C)c1cn(nn1)CC(=O)Nc2cncc(c2)C(=O)c3c4c(ncnc4)n(c3)C(COC5CCCCO5)C
+CC(C)c1cnc(F)c(c1)C#N
+CC(C)c1n(CCCCCBr)c2ccccc2n1
+CC(C)c1n(Cc2ccccc2)c3cc(ccc3c1C(NCc4cc(F)c(cc4)F)=O)OC(C(C)C)=O
+CC(C)c1n(ccn1)CC2CC3c4c5c([nH]cc5CC3N(C)C2)ccc4
+CC(C)c1n(nnn1)-c2cc(C(=O)NCc3ncc(nc3)C)cc(-c4ccc(cn4)Cl)c2
+CC(C)c1n2c(c(ccc2C)C(O)=O)nn1
+CC(C)c1nc(Cl)c([N+]([O-])=O)c(NCC)c1
+CC(C)c1nc(N2CCC(CC2)N3C(=O)C(CC3)Oc4cc(F)c(S(=O)(=O)C)cc4F)on1
+CC(C)c1nc(c([N+](=O)[O-])c(c1)N)O
+CC(C)c1nc(c(c(-c2ccccc2)c1)C#N)N3CC(C)N(CC3)C(=O)c4cocc4
+CC(C)c1nc(nc(c1)N2CCOCC2)-c3ccc(cc3)Cl
+CC(C)c1ncsc1Br
+CC(C)c1nnc(-c2cc(N)ccc2)o1
+CC(C)c1nnc2ccc(nn12)C#Cc3c(cc(cc3)F)F
+CC(C)c1noc2ccc(Br)cc12
+CC(C)c1oc2c(n1)cc(cc2-c3ccc(cc3)F)C(OC)=O
+CC(C)c1onc(c1)C(=O)OCC
+CC(C)c1onc(c1CC(=O)NCc2c(cc(F)cc2)Cl)C(C)C
+CC(C)c1sc(N)nc1C(=O)OCC
+CC(C)c1scc(CN(C)C(=O)NC(C(C)C)C(=O)O)n1
+CC(C)n1c(-c2c(ccc(NC(=O)Nc3ccc(F)c(F)c3)c2)OC)c(Cl)cn1
+CC(C)n1c(cnc1C)-c2nc(ncc2)Nc3ccc(cc3)N4CCN(CC4)C(CO)=O
+CC(C)n1c2c(c(-c3cc(c(O)cc3)F)n1)c(N)ncn2
+CC(C)n1c2c(c(C(c3cc(NC(Cc4coc(C5CC5)n4)=O)ncc3)=O)n1)cncc2
+CC(C)n1c2c(cc1-c3c(OC)nc(nc3)OC)C(N(C4CCN(CC4)C(=O)NC)C2c5ccc(cc5)Cl)=O
+CC(C)n1c2c(ccc(c2)COC)c(c1)C=3C(NC(=O)C=3c4c5c(cccc5)n(c4)C)=O
+CC(C)n1c2cc(C=O)ccc2nn1
+CC(C)n1cc(-c2nc(N)ncc2)c(I)n1
+CC(C)n1cc(N)cn1
+CC(C)n1nc(c2c(N)ncnc12)-c3cc(c(cc3F)O)F
+CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cccc(CN(C)C)c4)nc12
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(nc12)-c4ccc(cc4)N5CCN(CC5)C
+CC(C)n1ncc2c(N3CC4CCC(C3)O4)nc(-c5ccc(cc5)N)nc12
+CC(C)n1ncc2c(cc(-c3ccc(cc3)F)nc12)C(NCc4c(nc(C)cc4C)O)=O
+CC(C)n1ncc2cc(ccc12)OC(c3ccccc3)C(NS(=O)(=O)C)C
+CC(C)n1nccc1-c2cc3C(N(C(=O)Nc3cc2C(F)F)NS(=O)(=O)C)=O
+CC(C)n1ncnc1-c2cn3c(-c4c(OCC3)cc(cc4)-c5cn(cn5)CC(C)(C)O)n2
+CC(C)n1ncnc1-c2sc3c(-c4c(cc(cc4)C5CN(C5)C(C)(C)C(=O)N)OCC3)n2
+CC(CC(CN)CC(=O)O)CCCCC
+CC(N1CCc2c(cccc2Cl)CC1)=O
+CC(NC(C(=O)NCC)CSC)=O
+CC(Nc1c(SC)c2ccccc2nc1)=O
+CC(Nc1c2c(CCCC2=O)c(c(F)c1)C)=O
+CC(OC1CC2C(C(CCC2(C)C1=C)C3(C)C(COC(=O)C)CC(OC(=O)C)CC3)CN=[N+]=[N-])=O
+CC(c1cc(cc(c1)Cl)C(=O)OC)=O
+CC(c1ccc(c(F)c1)-c2cc(ccc2)OC(NCCCCCC)=O)C(OC)=O
+CC(c1nnc2n1nc(cc2)C(=C)OCC)c3c(cc4ncccc4c3F)F
+CC(c1nnc2n1nc(cc2)C(=O)OC)c3ccc4c(cc(Br)cn4)c3
+CC(n1c2cc(ccc2c3c1cccc3)C(C)=O)=O
+CC1(C)C(=C(c2ccc(cc2)F)c3c(O1)cc(cc3)NS(=O)(=O)C)F
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2c(ccc(c2)-c3ccc(cc3)C#C)CC
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(-c3ccc(cc3Cl)Cl)ccc2C4CC4
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2cc(ccc2C3CC3)Oc4ccc(Cl)cc4Cl
+CC1(C)C(=O)N(C)c2c(N(C1)C3CC(F)(F)CC3)nc(nc2)Nc4ccc(cc4OC)C(NC5CC5)=O
+CC1(C)C(=O)N(C)c2c(ccc(-c3cc(ccc3OC)Cl)c2CCl)N1
+CC1(C)C(=O)N(c2cc(ccc2N(CC)C1=O)CN3CCC(CC3)N4C(CCc5ccccc45)=O)C
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4[nH]nc5ccc(C(=O)N=CN(C)C)cc45)[nH]3)CC
+CC1(C)C(=O)N(c2ccc(c(Br)c2C(c3c(cccc3)F)=N1)N)C
+CC1(C)C(=O)NN=C1c2c3ccc(CC)nc3c(cc2)OC
+CC1(C)C(C)(C)C1C(c2c3cc(c(OC)cc3[nH]c2)OCc4ccccc4)=O
+CC1(C)C(C)(C)OB(O1)C2=CN(C)C(c3n(Cc4ccccc4)c(cc23)C(=O)OCC)=O
+CC1(C)C(C)(C)OB(O1)C=2C=C(Nc3cc(on3)CC)C(=O)N(C)C=2
+CC1(C)C(C)(C)OB(O1)CCCCC(NC(=O)C)(C2CCN(CC2)Cc3ccccc3)C(NC(C)(C)C)=O
+CC1(C)C(C)(C)OB(O1)c2c(c(ccc2)N3C(=O)c4c(C=N3)cc(cc4)C5CC5)C
+CC1(C)C(C)(C)OB(O1)c2c(ccc(-c3c(nccc3)C)c2)OC
+CC1(C)C(C)(C)OB(O1)c2c3ccccc3c(CO)cc2
+CC1(C)C(C)(C)OB(O1)c2cc(-c3ncccn3)c(c(c2)[N+]([O-])=O)N
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(C(NC)=O)cc2
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(c(C)c2)C3=C(OC)CC(CC#C)C3=O
+CC1(C)C(C)(C)OB(O1)c2cc(Cl)c(C)nc2
+CC1(C)C(C)(C)OB(O1)c2cc(F)c(cc2)OCCN(CC)CC
+CC1(C)C(C)(C)OB(O1)c2cc(OC)c(c(c2)C=O)OCOCC[Si](C)(C)C
+CC1(C)C(C)(C)OB(O1)c2cc(OCc3ccccc3)cc(Nc4cnccc4)c2
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2F)C(OC)=O)OC
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2)-c3ncccn3
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2F)C(OC)=O
+CC1(C)C(C)(C)OB(O1)c2cc3CC(NS(=O)(=O)C(C)C)Cc3cc2
+CC1(C)C(C)(C)OB(O1)c2cc3c([nH]2)c(OCC)ccc3
+CC1(C)C(C)(C)OB(O1)c2cc3c(c(-c4c(F)cc(cc4)F)oc3cc2N(S(=O)(=O)C)C)C(=O)NC
+CC1(C)C(C)(C)OB(O1)c2cc3c(c(C)c2)[nH]c(n3)N
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)OC(=O)N3CCC
+CC1(C)C(C)(C)OB(O1)c2ccc(C3OCC(CC)CC3)cc2F
+CC1(C)C(C)(C)OB(O1)c2ccc(CC(O)=O)cc2F
+CC1(C)C(C)(C)OB(O1)c2ccc(CCCN(C)C)c(Cl)c2C
+CC1(C)C(C)(C)OB(O1)c2ccc(Cl)c(NC(c3c(Cl)cc(cc3)Cl)C)c2
+CC1(C)C(C)(C)OB(O1)c2ccc(N)c(OC)c2F
+CC1(C)C(C)(C)OB(O1)c2ccc(OC)c(NS(=O)(=O)C)c2
+CC1(C)C(C)(C)OB(O1)c2ccc(OCCN(C)C)c(c2)NS(=O)(=O)C
+CC1(C)C(C)(C)OB(O1)c2ccc(c3c2[nH]cc3)Cl
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)COc3cc4c(cc3)C(c5c(C(O)=O)cccc5)=C6C(=CC(C=C6)=O)O4
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)NC(Nc3ccc(C(N(C)C)=O)c(c3)F)=O
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2C)S(=O)(=O)NC
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2F)CN3CCOCC3
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2F)NC(Nc3ccc(cc3)C(=O)N(C)C)=O
+CC1(C)C(C)(C)OB(O1)c2ccc3CCC(Oc3c2)c4ccc(cc4)-c5cc(ccc5F)OC
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c4ccccc4n3-c5cc6c(oc7ccccc67)cc5)c2
+CC1(C)C(C)(C)OB(O1)c2ccc3nc(c(cc3c2)N4CCOCC4)NCc5ccc(cc5)OC
+CC1(C)C(C)(C)OB(O1)c2cnc(N)c(S(=O)(=O)N(C)C)c2
+CC1(C)C(C)(C)OB(O1)c2cnc(nc2)N3C(C)CCC3
+CC1(C)C(C)(C)OB(O1)c2cnn(C3CC3)c2
+CC1(C)C(C)(C)OB(O1)c2sc(cc2)C(=O)NCc3cccc(c3)OC
+CC1(C)C(CC=C(C)CO)CC2C1(C2)C
+CC1(C)C(Cl)(Cl)C1CC#N
+CC1(C)C(N(CC)c2ccc(CN(CCc3cccnc3)Cc4scnc4C)cc2N(C)C1=O)=O
+CC1(C)C(N(c2c(N1)cc(N)cc2)C)=O
+CC1(C)C(N(c2c(cc(cc2)C(=O)O)N(C)C1=O)CC)=O
+CC1(C)C(N(c2cc3nc(NC(c4ccccc4)=O)[nH]c3cc12)CC)=O
+CC1(C)C(N(c2ccc(OCCCNS(=O)(=O)c3ccccc3[N+]([O-])=O)cc2N(C)C1=O)CC)=O
+CC1(C)C(NC(=O)c2c1cc(c3c2[nH]c(-c4ccc(c([N+](=O)[O-])c4)C)n3)Br)=O
+CC1(C)C(Nc2ccc(cc2C1)C(=O)O)c3ccc(cc3)NC(c4ccc(cc4)F)=O
+CC1(C)C(O1)CCC(=CCCC(=O)CC(=O)OCC)C
+CC1(C)C(c2c(C1)c(ccc2)OCCCBr)N3CCCCC3
+CC1(C)C(c2ccccc2C(O1)=O)n3cncc3C(=O)C
+CC1(C)C2=NC(C(=O)NCc3ccc(F)cc3-c4oc(cn4)C)=C(C(=O)N2CCO1)OCc5ccccc5
+CC1(C)C2CC1C(C(C(OC)=O)C2)C
+CC1(C)C2CCC1(C3=C2C(N(c4c(Cl)cc(F)cc4)N3Cc5c(F)cc(cc5)F)=O)C
+CC1(C)C2Cc3c(c(sc3C(NCc4cc(C)c(c(c4)C)OCC(O)CO)=O)C)C12
+CC1(C)C=C(C)c2c(N1)ccc(c2CNc3ccccc3OC)-c4c(cc(cc4)OC(c5c(nccc5)C)=O)OC
+CC1(C)C=C(C)c2c(N1)ccc(c2CNc3ccccc3OC)-c4ccc(OC(OC)=O)cc4OC
+CC1(C)C=Cc2c(cc3c(nc(cc3C)C#N)c2)O1
+CC1(C)C=Cc2cc(OC)c([N+](=O)[O-])cc2O1
+CC1(C)CC(=O)C2=C(NC(=C(C2c3ccccn3)C(=O)OCC)COCCN)C1
+CC1(C)CC(=O)Nc2cc(ccc12)C(C(=O)OCC)CCCCC
+CC1(C)CC(=O)Nc2cc(ccc12)N
+CC1(C)CC(=O)c2cc(O)ccc12
+CC1(C)CC(C)(C)CC(c2c(cccc2C)N3CCN(CC3)CCC)=C1
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(O)c(Cl)c2)c3ccc(cc3)C=CC(=O)O
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)O)c3ccccc3
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(nn2)-c3ccc(cc3OC)O
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(C)(C)N)ccn2
+CC1(C)CC(CC(C)(C)N1)Nc2nccc(-c3sc(C4(CCN(CC4)C)O)cc3)n2
+CC1(C)CC(CC(C)(C)N1C)Oc2ccc(C(Nc3ccc(cc3)NC(Nc4n(nc(c4)C(C)(C)C)C)=O)=O)nc2
+CC1(C)CC(CC(C)(C)N1CC(F)(F)F)(c2ccc(c(c2)C=3CCC(C)(C)CC=3)NC(=O)c4nc(c[nH]4)C#N)O
+CC1(C)CC(CC(C)(C)N1CC=C)N2C(=O)c3ccccc3C2=O
+CC1(C)CC(CC(C)(C)N1Cc2ccc(cc2)Cl)N
+CC1(C)CC(CC(C)(C)N1O)OCC(O)CN(CCO)CCO
+CC1(C)CC(CC(C)(C)N1OCC(C)(C)O)NCCCC
+CC1(C)CC(N(c2cc3[nH]c(nc3cc12)-c4[nH]nc5ccccc45)CC)=O
+CC1(C)CC(O)(CCC1)CNc2ncnc3c2CN(CC3)c4ncc(C)cc4
+CC1(C)CC(c2c(n(cc2C)-c3cc4c(cc3)c(N)ncc4C(C)=NO)C1)=O
+CC1(C)CC2(CC1)CNC(=O)C2
+CC1(C)CCC(C)(C)C1C(=O)Cl
+CC1(C)CCC(C)(C)C1OC(=O)C2(CC2)N
+CC1(C)CCC(C)(C)c2c1cc(Br)c(CCCCCC)c2
+CC1(C)CCC(C)(C)c2c1cc(OCOC)c(C(CC)=C(C(OCC)=O)F)c2
+CC1(C)CCC(C)(C)c2c1cc(c(c2)Br)Cn3nccc3
+CC1(C)CCC(c2cc(C(=O)C)ccc2N)=CC1
+CC1(C)CCC(c2cc(ccc2N)C3CC(=O)NC(C3)=O)=CC1
+CC1(C)CCCCC1CN(C)c2cccc(F)c2
+CC1(C)CCCc2cc(C(C)OC(C)=O)c(c(Br)c12)OC
+CC1(C)CCS(=O)(=O)c2c1c(c(cc2Cl)C(=O)O)Cl
+CC1(C)CCSc2ccc(cc12)C#Cc3ncc(cc3)C(=O)OCC
+CC1(C)CCc2c1cc(C=O)c(O)c2Br
+CC1(C)CCc2cc(c(cc12)F)O
+CC1(C)CN(CCOCC2CO2)C(=O)C(C)(C)N1C
+CC1(C)CN(c2cc(Cc3ccc(cc3)F)c(cc12)C#N)C(CCl)=O
+CC1(C)CN(c2ccc(C#Cc3cc(cnc3)F)cn2)C(C1)=O
+CC1(C)COC(c2c(c(OCC)no2)CBr)=N1
+CC1(C)COC(c2ccc(cc2)C(O)=O)=N1
+CC1(C)COCC(C)(C)N1N
+CC1(C)COc2ccc(-c3cc(cnc3)F)cc2C14C=C(C(N)=N4)F
+CC1(C)Cc2c(C(=O)C1)c(cn2-c3cccc(F)c3)CC
+CC1(C)Cc2c(O1)cc(cc2-c3cnc(N)c(c3C)C#N)Cl
+CC1(C)Cc2c(c(C)c(C)c(N3CCN(CC3)c4ccc(cc4)S(=O)(=O)C)c2C)O1
+CC1(C)Cc2c(c(OC(=O)C)cc([N+]([O-])=O)c2)O1
+CC1(C)Cc2c(c(c(C3CC(=O)C=C(O)C3)c(c2O1)Cl)C)C
+CC1(C)Cc2c(n3c(C(=O)N(CC3)c4nccc(C5=CN(C)C(C(=C5)Nc6cc7n(CCOC7)n6)=O)c4CO)c2)C1
+CC1(C)Cc2c(sc3C(N(CCc23)c4cccc(Br)c4COC(=O)C)=O)C1
+CC1(C)Cc2cc(cc(CCl)c2O1)Br
+CC1(C)Cc2ccc(cc2C=C1)C#N
+CC1(C)N(CCCOCCOCCOC)C(C(C)(C)N1Cl)=O
+CC1(C)N(CCN(C1)c2c(OC)cc(N)cc2)C3COC3
+CC1(C)N(N)CCN(C1)S(=O)(=O)C
+CC1(C)N(c2scc(n2)-c3c(cc(cc3)C#N)F)C(OC1)=O
+CC1(C)N2c3c(C(=O)C(=C2)C(NCc4ccc(cc4)Cl)=O)cc(cc3C1)C#CCO
+CC1(C)N=C(C(C)Br)OC1=O
+CC1(C)NC=2N(CC1)C(=O)C=C(N=2)Cl
+CC1(C)NCc2cc(C=CC(N(Cc3c(c(Cl)ccc3)OCCC)C)=O)cnc2NC1=O
+CC1(C)Nc2ccc(Br)c(CNc3ccccc3OC)c2N(C1=O)C
+CC1(C)Nc2ccc(c(COc3c(C)ccc(c3)F)c2C(=C1)C)-c4c(OC)cc(OC(=O)OC)cc4
+CC1(C)OB(OC1(C)C)c2c(C)nn(c2)-c3cncc(F)c3
+CC1(C)OB(OC1(C)C)c2c(CBr)cc(Cl)cc2
+CC1(C)OB(OC1(C)C)c2c(CNc3ccccc3C)cccc2C
+CC1(C)OB(OC1(C)C)c2c(F)cc3OCCCc3c2
+CC1(C)OB(OC1(C)C)c2c(cc(c(OC)c2)F)OCC3CC3
+CC1(C)OB(OC1(C)C)c2c3c(n(S(=O)(=O)c4ccccc4)c2)ncc(c3)-c5cn(C)nc5
+CC1(C)OB(OC1(C)C)c2cc(C(N)=O)ccc2C
+CC1(C)OB(OC1(C)C)c2cc(C)c3c(n(C4CCCCO4)cn3)c2
+CC1(C)OB(OC1(C)C)c2cc(N(S(=O)(=O)C)C)ccc2
+CC1(C)OB(OC1(C)C)c2cc(N3CCC(CC3)N(C)C(C)=O)ccc2
+CC1(C)OB(OC1(C)C)c2cc(OC)c(c(OC)c2)Cc3ccccc3
+CC1(C)OB(OC1(C)C)c2cc(c(Cl)cc2C)C(=O)OC
+CC1(C)OB(OC1(C)C)c2cc(cc(Cl)c2)OS(=O)(=O)C
+CC1(C)OB(OC1(C)C)c2cc(cc(OS(=O)(=O)C)c2)OC
+CC1(C)OB(OC1(C)C)c2cc(ccc2Cl)C(N(c3ccccc3CCCC(=O)OC)C)=O
+CC1(C)OB(OC1(C)C)c2cc3c(n(C)cc3C(C)C)c(c2)C(=O)NCc4c(nc(C)cc4C)O
+CC1(C)OB(OC1(C)C)c2cc3c(nc(c4ccnc(O)c34)Nc5c(Cl)cc(cc5Cl)-c6ccn[nH]6)cc2
+CC1(C)OB(OC1(C)C)c2ccc(C(OCc3ccccc3)=O)cc2OC
+CC1(C)OB(OC1(C)C)c2ccc(Cl)c(c2)CNC(OC)=O
+CC1(C)OB(OC1(C)C)c2ccc(OCCCC(=O)OCC)c(OC)c2
+CC1(C)OB(OC1(C)C)c2ccc(c(-c3c(C#N)cccc3)c2)F
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3cc(NC(=O)C4CCCN4C(=O)C(NC(=O)OC)C(C)C)ccc3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ccc(cc3)F
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3nc(C4N(C(C(C(C)C)Nc5sccn5)=O)CCC4)[nH]c3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ncoc3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3sccc3C#N
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)(C)CN
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3C(CCCC3)OC(=O)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3CCC(CC3)O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(=O)NC3CC3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCCN3CCN(CC3)C(=O)OC(C)(C)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CCN(CC3)C4CCCC4
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(C)(C)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2OC)S(=O)(=O)C3CCC3
+CC1(C)OB(OC1(C)C)c2cccc(N3CCN(CC3)C)c2
+CC1(C)OB(OC1(C)C)c2ccnn2-c3ccc(cc3)C#N
+CC1(C)OB(OC1(C)C)c2cnc(cc2)OCCCN3CCCC3
+CC1(C)OC(=CC(=O)O1)CC(C2CCCC2)(CCc3cc(c(C4(CC4)C#N)cc3)F)O
+CC1(C)OC(=O)Nc2c1cc(-c3n(c(cc3)C#N)CC(NCCc4ccc(OC)c(OCC)c4)=O)cc2
+CC1(C)OC(=S)Nc2ccc(cc12)Br
+CC1(C)OC(C)(C)OC1c2nc(sn2)Nc3c(cc(Sc4ncccc4)cn3)Oc5c(C)nn(C)c5C
+CC1(C)OC(CO1)CONC(=O)C2=C3CCCN3C(=O)C(Cl)=C2Nc4ccc(cc4F)I
+CC1(C)OCC(CCOc2c([N+](=O)[O-])c(Nc3ccc(I)cc3F)cc(F)c2)O1
+CC1(C)ON=C(c2cnc(SC)c(Cl)c2)C1
+CC1(C)Oc2c(CO1)cc(C(CNCCCCCCOCCCCc3cc(ccc3)NC(=O)Nc4ccccc4)O)cc2
+CC1(C)Oc2c(O1)ccc(c2)CN
+CC1(C)Oc2c(c(c3oc(CC)cc3c2)CCl)C1
+CC1(C)Oc2c(cc(Br)c(C)c2)NC1=O
+CC1(C)Oc2c(cc(Br)c(c2Cl)OCC)C(=C1)C(C)C
+CC1(C)Oc2c(cc(cc2C1)Cl)CBr
+CC1(C)Oc2c(cccc2)NC1=O
+CC1(C)Oc2cc(C(C)(C)CCCCCC)cc(O)c2C(C(=O)O)C1
+CC1(C)Oc2cc([N+](=O)[O-])ccc2O1
+CC1(C)Oc2cc(cc(c2C=3CN(C(OC)=N)CCC1=3)OC)C(C)C(C)CCCCC
+CC1(C)c2c(C(C1)NS(=O)(=O)C)cccc2
+CC1(C)c2c(F)c(ccc2C(=C(C(=O)NCC(=O)O)C1=O)O)OCC(C)C
+CC1(C)c2c(I)cc(cc2N=C1C)I
+CC1(C)c2c(N(c3c4c(ccc(Cl)c4)nc5C(C)(C)CCc35)C1)cc(N6CCOCC6)cc2
+CC1(C)c2c(OC)c(C#N)c(cc2C(C)(C)CC1)C
+CC1(C)c2c(c[nH]n2)C(CC1)=O
+CC1(C)c2c(cc3[nH]c(SCc4ccccn4)nc3c2)C(C)(C)CC1
+CC1(C)c2c(ccc(-c3cc(cc(C#N)c3)F)c2)NC(=S)O1
+CC1(C)c2c(ccc(C#C)c2)OC(C1)=O
+CC1(C)c2cc(-c3cc(Cl)ccc3)ccc2NC1=O
+CC1(C)c2cc(cc(c2OC1)Br)C(=O)NC
+CC1(C)c2cc(ccc2N=C1C)OCCCCCC(O)=O
+CC1(C)c2ccc(cc2OCC1)N
+CC1(C)c2ccccc2N(CC1)c3ccccc3NC(=S)N
+CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O
+CC12C3CCC4(C(CCC4C=NO)C3CCC1CC(C)(O)CC2)C
+CC12CCC(CC1CC(C3C4CCC(C4(C)CCC23)C(C)CCC(=O)O)=O)O
+CC1=C(C)C(=O)N(C1=O)CCOC(=O)C
+CC1CC(CC(C)C1)CC(O)=O
+CC1CCC(C)N1C(=O)CSC#N
+CC1CCCC(C)N1Cc2nc(nc(c2)C)SCCCCCC
+CC1CN(CC(C)N1)c2ccc(cc2)C(Nc3cc([nH]n3)CCc4cc(OC)cc(OC)c4)=O
+CC1CN(CC(C)O1)C2CCN(CC2)CC34c5c(cccc5)C(C3)c6c4cc(cc6)Cl
+CC1CN(CC(C)O1)CCNC(=O)Nc2nc3ccc(S)cc3s2
+CC1CN(CC(C)O1)c2c(cc(c(F)c2F)-c3cnc(N)cn3)C=O
+CC=CCN(CC=O)C(OCC)=O
+CCC(CC)(c1cn(nn1)Cc2cc3c(C(c4cc(ccc4)F)=CC(=O)O3)cc2)O
+CCC(CC)C(=O)Nc1cc2C3=NC=C(C(O)=O)C(N3C=Nc2cc1)=O
+CCC(CC)C(=O)c1c[nH]c2cnc(cc12)-c3c(C)cccc3C
+CCC(CC)NC(C=Cc1ccc(cc1)OCCO)=O
+CCC(CC)NC1=C(C(C1=O)=O)Nc2ccc(Cl)c(S(=O)(=O)N(OC)C)c2O
+CCC(CC)Nc1c2n(nc1CC)c(-c3c(OC)cc(C)cc3C)ccc2OC
+CCC(CO)Nc1c(Br)cncn1
+CCC(N=C=S)(CCCl)c1c(F)ccc([N+]([O-])=O)c1
+CCC(OCC(Nc1sc2cc(OC)ccc2n1)=O)=O
+CCC1(CC)CNCCC1N
+CCC1(CC)c2c(N(CCC(C)(C)NCC(c3cc(cc4nc(ccc34)O)O)O)C(=O)O1)cccc2
+CCC1CNCCC1N
+CCC=CCCC(CCC=CCC)C#N
+CCCCC(=O)C#CC
+CCCCC(=O)CC=CI
+CCCCCCC1(CCCCCC)c2cc3c(cc2-c4c1cccc4)CC(=C3)C
+CCCCCCCCCCCC=CC(=O)Cl
+CCCCCCCCCCCCc1ccc(O)c(c1)N
+CCCC[Sn](CCCC)(CCCC)c1ccc(-c2ccc(cc2)OC)s1
+CCCC[Sn](CCCC)(CCCC)c1cn(-c2nc(C(F)(F)F)cc(-c3cc(Cl)c(Cl)cc3)n2)cn1
+CCCC[Sn](CCCC)(CCCC)c1sc(cc1)C2OCCO2
+CCCCc1cc(n2c(ccn2)n1)NC
+CCCN(CCC)CCCCC1Cc2c(ccc(CN(Cc3nccn3C)Cc4ncc[nH]4)c2)C1OC
+CCCN(CCC)CCCCN1CCc2c(ccc(CNCc3n(ccn3)C)c2)C1
+CCCc1c(O)c(c(C(=O)O)c(F)c1)[N+](=O)[O-]
+CCCc1cc(cc(CCC)c1O)CCO
+CCCn1cncc1CO
+CCN(CC)C(=O)CCCn1nnnc1C
+CCN(CC)C(=O)c1cc(NC(Cc2ccc(cc2)OCC)=O)c(nc1)N
+CCN(CC)C(NC1CN(C2C(c3cc([N+](=O)[O-])cc4n(cc(C2)c34)C(=O)C)C1)C)=O
+CCN(CC)C1CN(C(=O)c2c(c([nH]n2)-c3cc(C#Cc4ccc(F)c(c4)Cl)ccc3)C)CC1
+CCN(CC)CC(=O)Nc1ccccc1S(=O)(=O)Nc2ccc3c(c2C(O)=O)CCCC3
+CCN(CC)CCCNC(=O)c1c(c(C=C2C(=O)Nc3ccc(cc23)Br)[nH]c1C)C
+CCN(CC)CCCNc1cc(ccc1[N+](=O)[O-])OCCCN(CC)CC
+CCN(CC)CCCc1c(Cl)ccc(NS(=O)(=O)c2ccc(cc2)Oc3c(C#N)c(Cl)ccc3)c1
+CCN(CC)CCNC(Cc1c(c([nH]c1C)C=O)C)=O
+CCN(CC)CCOc1c(Cl)cc(c(c1)-c2c3c(sc(c3)CO)nc(n2)N)Cl
+CCN(CC)CCOc1cc2c(c(C)n(C)c2cc1)C(=O)OCc3ccccc3
+CCN(CC)Cc1cccc(C(=O)Nc2cc(ccc2C)NC(c3ccc(cc3)C#N)=O)c1
+CCN(CC)Cc1onc(-c2c3C4CCCN4C(=O)c5c(cccc5Cl)-n3cn2)n1
+CCN(CC)c1nc(cc(c1)C)C=C
+CCN(CC)c1nc(nc2c1cccc2)N3CCC(CC3)CN
+CCN1C(=O)C(=C(N=C1C)N2CCc3c(CC2)sc(N)n3)[N+]([O-])=O
+CCN1C(Nc2ccccc12)=O
+CCNC1CCNCC1C
+CCOC(=O)C(C(=O)OCC)C(=O)c1c(F)c(OC(F)F)c(c(F)c1)F
+CCOC(=O)C(C(=O)OCC)c1nc(NC(CCl)=O)sc1
+CCOC(=O)CN1c2c(cccc2)CCCCC(N)C1=O
+CCOC(=O)NC1CCCNC1
+CCOC(=O)Nc1cc2c(c(c1)-c3c4ccccc4ccc3)nc(-c5nnn[nH]5)cc2
+CCOC(=O)c1c(OCCCC(=O)O)cccc1
+CCOC(C1=CN=C2N(C1=O)C=Nc3c2cccc3)=O
+CCOC(Cc1ccco1)=O
+CCOC(OCC)CCN(C(=O)CBr)CC1OCCO1
+CCOC(OCC)Cn1c(Nc2c(C)c(cc([N+](=O)[O-])c2)C)cc(-c3cnccc3)n1
+CCOC(OCC)c1nc2c(n1C)nccc2
+CCOC(c1c(C)nc(nc1)NN)=O
+CCOC(c1c(O)c(O)c(Br)cc1)=O
+CCOC(c1c(n(C2COCC2)nc1)-c3ccc(cc3[N+]([O-])=O)-c4c(cc(OCC)nc4C)C)=O
+CCOC(c1cc2c(nc1)n(CCCOC)c(N)n2)=O
+CCOC=C1c2c(NC1=O)ncc(Br)c2
+CCOP(OCC)(=O)C(CC(O)C(O)C(CN(C=O)O)O)O
+CCOP(OCC)(=O)C(P(OCC)(OCC)=O)CCCOc1ccc(cc1)C(C=C)=O
+CCOP(OCC)(=O)OCCCCNC(C(c1ccc(cc1)CC(C)C)C)=O
+CCOP(OCC)(=O)c1cc(sc1)-c2c(P(OCC)(OCC)=O)cc(s2)I
+CCOP(OCC)(Cc1c2ccccc2nc(c1)C(=O)N)=O
+CCOP(OCC)(Cc1cc(ccc1)Oc2ncc(cc2)Cl)=O
+CCOP(OCC)(c1sc(Cc2cc(C(O)=O)cc(OC(C)C)c2)cc1)=O
+CCOc1cccnc1CSCCNC(=C[N+](=O)[O-])NC
+CCc1cc(cc(SCC)n1)Br
+CCc1cc(cnc1CC)-c2nc(no2)-c3cc(CC)c(OCC4OC4)c(C)c3
+CCc1cccc(CC)c1NC(N2Cc3c(-c4nc5cc6C(C)(C)C(=O)N(c6cc5[nH]4)CC)[nH]nc3C2)=O
+CCn1c(c(Cl)cn1)-c2coc(c2)C(=O)OC
+CCn1c2c(c(Cl)ncc2)nc1C=O
+CN(C(=O)CCCCCCCN)CCCC
+CN(C)C(=O)C(Cc1ccc(cc1)-c2ccccc2)NC(=O)C3(CCCC3)CC(=C)Cl
+CN(C)C(=O)Cn1ncc2cc(ccc12)Oc3ccc(cc3CN)F
+CN(C)C(=O)NC1Cc2c(n(Cc3nc(F)ccc3)c4ccc(cc24)C#N)C1
+CN(C)C(=O)Oc1cc(F)ccc1C#N
+CN(C)C(=O)c1cc(c2nc(n(c2c1)C)C)OC3CCOc4c3ccc(F)c4
+CN(C)C(=O)c1cc2nc(C)n(CCOC)c2c(O)c1
+CN(C)C(=O)c1ccc(cc1)-c2cc(ccc2COC(C)C)NC(=O)C3(CC3)c4cc5OCOc5cc4
+CN(C)C(=O)c1cn2c(nnc2c(NCc3c(cccc3CC)C)c1)C
+CN(C)C(=O)c1nn(nc1C(=O)O)-c2ccccc2
+CN(C)C(=S)Oc1ccc(cc1)CCCCN
+CN(C)C(C(NC(C)(C)C=1N(C)C(C(=C(C(NCc2ccc(cc2)F)=O)N=1)O)=O)=O)=O
+CN(C)C(C(Oc1c2c(ccc1)ncnc2Nc3ccc4n(Cc5ncccc5)ncc4c3)C)=O
+CN(C)C(C)(CCCC)CNC(=O)c1ccc(c(Cl)c1)Cl
+CN(C)C(C=1C2N(C(=O)N(C(COC)C=1)C2)OCC=C)=O
+CN(C)C(CCCOc1cc2c(cc1)CCC(N)C2)=O
+CN(C)C(Cc1cc(cnc1)-c2cnc3N(C(=O)N)CCCc3c2)=O
+CN(C)C(Cc1ccc(c(c1)F)Oc2ncnc(OC3CCN(CC3)C(=O)OC(C)C)c2C)=O
+CN(C)C(N(CC=O)CCCc1ccc(cc1)C#N)=O
+CN(C)C(N1c2c(c(Nc3ncc(C#N)s3)ncc2)CC1)=O
+CN(C)C(c1c(ccs1)C)Cc2c(ccc(c2)Br)N
+CN(C)C(c1ccc2c(oc(CCCCN)c2)c1)=O
+CN(C)C(c1oc2c(N3CCN(CC3)CCc4cc5c(cc4)N(CC5)C(C)=O)cc(cc2c1)F)=O
+CN(C)C1(CCC(CC1)(C)C=NO)c2ccccc2
+CN(C)C1(CCC(CC1)C(Cc2ccccc2)OC(OCC)C)C#N
+CN(C)C1(CCC(CC1)Oc2ncnc3sc4CCC(CC(=O)N)c4c23)C
+CN(C)C1(CN(CC1)c2ccc(cc2F)N3C=Cc4cc(OCC5OCCC5)ccc4C3=O)C
+CN(C)C1CCC(=CC1)c2c3ncccc3[nH]c2
+CN(C)C1CCC(c2cc(F)cc(N)c2)=CC1
+CN(C)C1CCN(C(c2c3ncc(-c4ccc(cc4)NS(=O)(=O)c5cccc(c5Cl)Cl)c(n3nc2)N)=O)C1
+CN(C)C1CCc2c(ccc(c2C1)OC)Br
+CN(C)C1CN(C(c2c([nH]c(C)c2)C=C3c4c(cccc4NC3=O)-c5cccc(Cl)c5)=O)CC1
+CN(C)C1CN(CC1)CCc2oc3ccc(cc3c2)-c4n5c(ccn5)nc6c4CCC6
+CN(C)C1CN(CC1)c2cc(OC)c(Nc3nccc(n3)-c4c5n(nc4)cccc5)cc2NC(C=C)=O
+CN(C)C1CN(c2c(cc(Nc3nc(-c4c5ccccc5n(c4)C)ccn3)c(c2)OC)NC(C=C)=O)CC1
+CN(C)C1CNC(C(N)=O)C1
+CN(C)C=C(c1ccncc1)C(=O)c2ccc(cc2)OCc3nc4cccnc4cc3
+CN(C)C=CC(=O)c1cc(c[nH]1)C(=O)OCC
+CN(C)C=CC(C=1C(=O)C(=CN(N=1)c2cccc3c2OC(F)(F)O3)OC)=O
+CN(C)C=Cc1nc(O)ccc1C(C)=O
+CN(C)C=NC(=O)c1sc(c(C#N)c1-c2ccc(cc2Cl)Cl)N3CCOCC3
+CN(C)C=NS(=O)(=O)c1c(Cl)ccc(C(c2cc3c(OC(CO)C3)c(Cl)c2Cl)=O)c1
+CN(C)C=Nc1c(cc([N+](=O)[O-])c(c1[N+]([O-])=O)C)C#N
+CN(C)CC(=O)N1C(CC(C1)O)COc2c3c(ncnc3cc(c2)OC)Nc4cc(c(F)cc4)Cl
+CN(C)CC(=O)N1CCCC1COc2c3c(ncnc3Nc4ccc(c(Cl)c4)OCc5nccnc5)ccc2
+CN(C)CC(=O)NCC1Cc2cc(C)c3c(ccc(n3)O)c2O1
+CN(C)CC(N1CCc2cc(ccc12)N)=O
+CN(C)CC(NC1CCC(CC1)Nc2cc(c(Cl)cn2)-c3nc(ccc3)NCc4cc(F)ccc4)=O
+CN(C)CC(Nc1ccc-2c(c1)Cc3c4c(c(O)nc-23)cccc4)=O
+CN(C)CC(O)COc1cc(-c2nc(c(c(-c3c(C)noc3C)n2)C)NC4CCN(C5CC5)C(C4)C)c(Cl)cc1
+CN(C)CC(O)c1cc(ccc1)NS(=O)(=O)c2ccc(cc2)-c3ccc(F)cc3F
+CN(C)CC(OCCCCCCCCC=CCC=CCCCCC)COC(CCC(O)=O)=O
+CN(C)CC1(CCCCC1)c2cc(c(Cl)cc2)Cl
+CN(C)CC1(CNC1)F
+CN(C)CC1(COC1)Cn2ncc(c2)[N+]([O-])=O
+CN(C)CC1CC1c2cc3[nH]cc(C#N)c3cc2
+CN(C)CC1CN(S(=O)(=O)C)c2ccccc2C1
+CN(C)CC1Cc2ccc(cc2CC1)NC(c3[nH]cc(-c4ccc(cc4)Cl)c3)=O
+CN(C)CCC(Nc1ccc(cc1)Nc2nc(c(cn2)Br)Nc3ccccc3)=O
+CN(C)CCC1CCCN(C(c2cnc(cc2)NC(c3ccccc3Cl)=O)=O)c4ccc(Cl)cc14
+CN(C)CCCNC(=O)C=C
+CN(C)CCCOc1cc(-c2c(-c3c(C)cccc3)ccc(C(=O)OC)n2)ccc1Cl
+CN(C)CCCOc1cc(Nc2cc(-c3c(-c4cnccc4)c(C#N)c(SC)s3)c(cc2)C)ccc1
+CN(C)CCCOc1ccc(Cl)cc1NC(Nc2ncc(C#N)nc2)=O
+CN(C)CCCc1c2ccccc2[nH]c1-c3c(noc3C)CC
+CN(C)CCCc1cc(c[nH]1)CCCC
+CN(C)CCCn1c(nc2cc(C)ccc12)CCCCCCCCCCCCCCCCC
+CN(C)CCCn1c2c(ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)c2)nc1
+CN(C)CCN(C(OCC)=O)c1c(N)cccc1
+CN(C)CCN(Cc1cc2c(N(C(Nc3ncc(C#N)c(NCCOC)c3)=O)CCC2)nc1C(OC)OC)C(C)=O
+CN(C)CCN1C(CCn2c(c(C3CCCCC3)c4c2cc(C(=O)O)cc4)-c5ccccc5C1)=O
+CN(C)CCN1C(SC(CCCCCCCCC)C1=O)c2cccnc2
+CN(C)CCNC(=O)Cn1cc(-c2ncc3[nH]c4ncc(OC)cc4c3c2)cn1
+CN(C)CCNC(=O)c1c2nc3c(ccc4c(c(ccc34)O)CN(C)C)nc2ccc1
+CN(C)CCNS(=O)(=O)c1cc(Nc2cc(nc3c2cccc3)C)ccc1
+CN(C)CCNc1c2c(ncn1)[nH]c3c2ccc(C#N)c3
+CN(C)CCNc1ncc2C=C(C(=O)N(c2n1)OC)c3cc(NC(=O)Nc4cc(c(cc4)OC)Cl)ccc3Cl
+CN(C)CCOC(C(CNC(c1cccs1)=O)NC(=O)c2c(cc(cc2)C(NCc3cccc(O)c3)=O)Cl)=O
+CN(C)CCOCCCC1Oc2c(c(C)c(O)c(C)c2C)S1
+CN(C)CCOCc1ncccc1OCCO
+CN(C)CCOc1c(C)ccc(c1)Nc2cc(nc3c2cccc3)C
+CN(C)CCOc1cc(-c2ccccc2)on1
+CN(C)CCOc1cc(COc2ccc(cc2)C(=O)Nc3cc(ccc3C)-c4ncc[nH]4)ncc1
+CN(C)CCOc1cc2C(C(C)(C)CC(c2cc1)c3ccc(cc3)Cl)Cl
+CN(C)CCOc1ccc(cc1)C(Cc2ccc(cc2)Cl)=O
+CN(C)CCOc1ccc2c(N(c3c4CCCc4nc(-c5sc(cc5)Cl)n3)CC2)c1
+CN(C)CCOc1ccc2n(cc(CC(N3C4CC4CC3C(=O)NCc5c(F)c(ccc5)Cl)=O)c2c1)C(=O)N
+CN(C)CCOc1ccc2sc(C(Nc3ccccc3N)=O)cc2c1
+CN(C)CCOc1ccccc1Nc2nc(C3=Cc4cccc(Cl)c4OC3=O)cs2
+CN(C)CCc1c(O)ccc(c1)-c2n(C)nc(C)c2C
+CN(C)CCc1c(cc(-c2nc(ccc2)N)c(c1)OC)OC
+CN(C)CCc1cc(Nc2ncc3C(N(C(N(c4cccc(C(N)=O)c4)c3n2)=O)c5ccc(cc5)OC)C)ccc1
+CN(C)CCc1ccccc1Sc2c3c(cccc3)[nH]c2
+CN(C)CCc1nnc2n1-c3ccc(F)cc3C(c4c(cccc4)Cl)=NC2
+CN(C)Cc1c(nc2c(OCc3c(Cl)cccc3)cccn12)C
+CN(C)Cc1c2C(=O)N(C(N(Cc3c(F)cccc3F)c2nn1-c4ccc(cc4)NC(=O)C)=O)c5cccc(c5F)OC
+CN(C)Cc1c2cc(ccc2[nH]c1)-c3ccc(OC4CN5CCC4CC5)nn3
+CN(C)Cc1cc(-c2c(cc3n[nH]c(I)c3c2)F)cnc1
+CN(C)Cc1cc(C#Cc2cc(cnc2)C#N)ccc1F
+CN(C)Cc1cc(Cc2c(NCCCCC)nc(N)nc2C)ccc1
+CN(C)Cc1ccc(-c2cc(c(C)c(c2)C(=O)NCc3c(nc(C)cc3C)O)N(CC)C4CCOCC4)cn1
+CN(C)Cc1ccc2c(n1)c(c(cc2)Cl)C=3C(=O)NC(=O)C=3c4c[nH]c5c(cccc45)C
+CN(C)Cc1cccc(CSCCNC2=NS(=O)(=O)N=C2N)n1
+CN(C)Cc1cccc(c1)CCNC=2C(N(C(=CN=2)C)CC(=O)O)=O
+CN(C)Cc1nc(sc1)-c2ccc(cc2[N+]([O-])=O)C
+CN(C)Cc1nc2ccc(cc2cc1)N3C(=O)c4c(cc(-c5ccc(cc5)Cl)s4)N=C3
+CN(C)Cc1ncc2ccc(c(C=3C(NC(=O)C=3c4c5ccccc5n(c4)C)=O)c2c1)Cl
+CN(C)Cc1onc(n1)-c2c3n(cn2)-c4c(c(ccc4)Cl)C(N(C)C3)=O
+CN(C)Cc1sc(C2(CCC3(CC2)OCCO3)O)cn1
+CN(C)S(=O)(=O)c1c(cc(cc1)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C)C(O)=O
+CN(C)S(=O)(=O)n1c(CN(C2CCCc3c2nccc3)CCCCN4C(=O)c5ccccc5C4=O)nc6CCCCc16
+CN(C)c1[n+](cc(N2CCCCn3c4c(c(Cl)ccc4C(CC)CC)nc23)c(c1)C)[O-]
+CN(C)c1c(C#N)ccc(Oc2cc3COB(c3cc2)O)n1
+CN(C)c1c(cccc1C)C=O
+CN(C)c1cc(COCCOCCCCCCN2CC(OC2=O)c3cc4c(cc3)OC(C)(C)OC4)ccc1
+CN(C)c1cc(N(C)C)ccc1C2(c3c(n(CC)c4c3cccc4)C)c5ccccc5C(=O)O2
+CN(C)c1cc(Nc2ncnc3c2scc3)cc(OC)c1
+CN(C)c1cc(ccc1)C(=O)Nc2cccc(c2)-c3nc4c(ccc(CN5CCNCC5)n4)o3
+CN(C)c1cc2c(c(C#N)c(N)nc2cc1)NCc3sccc3
+CN(C)c1cc2c(cc1)C(=O)N(c3cccc(C4=CN(C(C(Nc5ncc(C(=O)N6CCOCC6)cc5)=C4)=O)C)c3)C=C2
+CN(C)c1ccc(cc1)-c2oc3c(C(O)=O)cccc3c2
+CN(C)c1ccc(cc1)C=2Oc3c(cc(cc3)Br)C(=O)C=2
+CN(C)c1ccc(cc1)C=2Oc3c(cc(cc3)O)C(C=2)=O
+CN(C)c1ccc(cc1)C=CC(=O)c2cc([N+]([O-])=O)c(c(c2)O)O
+CN(C)c1ccc(cc1[N+](=O)[O-])Nc2nccc(n2)-c3c(n(C)c(C#N)c3C)C
+CN(C)c1ccc2CN(CCc2c1O)C(=O)c3c4ccccc4nc(n3)CCNC(=O)C
+CN(C)c1cccc(Nc2nc(ccn2)N(C)c3cc4oc(C)c(C(NC)=O)c4cc3)c1
+CN(C)c1cccc(OC(C(OC)=O)C)c1C
+CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCN
+CN(C)c1ccccc1CN2CC(CC2)Nc3cnc(C=CC(NOC4CCCCO4)=O)cn3
+CN(C)c1cncc(-n2cc(nc2C)C#Cc3cc(Cl)ccc3)c1
+CN(C)c1n(Cc2ccccc2F)nc(c1)C#N
+CN(C)c1nc(ccc1[N+](=O)[O-])NCc2ccc(cc2)F
+CN(C)c1nc(nc(Cl)c1)Nc2ccccc2
+CN(C)c1nc(nc(N(C)C)c1CC(OC)=O)Cc2ccc(cc2)NC(c3ccc(cc3)C(F)(F)F)=O
+CN(C)c1nc2ccccc2n3c1nnc3CC
+CN(C)c1ncc(cc1)CO
+CN(C)c1nccc(-c2c(nc3n2cccc3)CN(C4CCCc5c4nccc5)C)c1
+CN(C)c1nccc(c1)C(=O)N2CCCC(C2)c3ccccc3OC
+CN(C)c1oc2c(cc(Oc3ccc4c(c(C(NCC(O)=O)=O)nc(c4c3)C#N)O)cc2)n1
+CN(CCNC(=O)c1ccccc1O)C(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC
+CN(c1cc(C)ccc1)c2nc(N)nc(C#N)n2
+CN1C(=O)C=C(CCc2ccccc2Br)NC1=N
+CN1C=C(C=C(C1=O)Nc2cccc(N3CC(NC(C=C)=O)CCC3)n2)Br
+CN1c2nc3c(cc2C(C(C(=O)O)=C1)=O)cc(c(N4CC(C)N(CC4)C)c3)F
+CNC(C(=NO)c1c(cccc1)C)=O
+CNC(C(=NOC)c1ccccc1O)=O
+CNC(CNC(=O)c1cc(ccc1)C(OCCNC(=O)OC)c2cccc(c2)Cl)CC3COCCC3
+COC(OC)CN(C)C(=O)Nc1sc(C(C)Oc2ccc(Cl)cc2Cl)nn1
+COC1CC(C(=O)O)COC1
+COC1CNC(C1)C(Nc2c(F)cc(cc2)-n3nc(C)cc3)=O
+COCC(COC)(NC(=O)c1sc(cc1)Cl)C(Nc2ccc3CCN(CCc3c2)C)=O
+COCCN(CCOC)c1c([N+](=O)[O-])cc(-c2onc(-c3ccccc3OC)n2)cc1
+COCCOCCOCCOCCOCCO
+COP(OC)(CC(=O)C(CCCc1ccccc1)C)=O
+CO[Si](OC)(OC)CCCc1ccc(c(c1)OC)OC(C)=O
+COc1c(Cl)c(N)c(c(OC)c1)C
+COc1c(F)ccc(C(Nc2cccc(c2)C(=O)N)C(=O)O)c1
+COc1c(OCCOC)cc2ncc(C#N)c(c2c1)Cl
+COc1c(c(OC)cc(c1OC)C=O)OC
+COc1c(c(c(Cl)cc1C(C)O)C)-c2cc(C#N)ncc2
+COc1c(c(ncc1C)CO)C
+COc1c(cc(C(=O)C)c(I)c1)O
+COc1c(cc(CC)c(c1)O)-c2cccc(n2)N
+COc1c(cc2c(nncc2Br)c1)CC
+COc1c2CNCc2ccc1
+COc1c2ccc(CCC(OCC)=O)cc2cc(c1OC)OC
+COc1cc(I)cc([N+]([O-])=O)c1N
+COc1cc(OCC2CO2)c(cc1)-c3nnc(cc3)Cl
+COc1cc(cc(OC)c1)-c2cc3cnc(nc3cc2OC)Cl
+COc1cc(cc(OC)c1)C(C=Cc2ccc(c(c2)O)OCCCC)=O
+COc1cc(cc(OC)c1)C(c2ccc3ccn(C)c3c2)=O
+COc1cc(cc(OC)c1)C2=C(C#N)C(=O)Oc3c2ccc(N)c3
+COc1cc(cc(OC)c1)C2=Nc3c(nc(Cl)nc3)N(C)C2=O
+COc1cc(cc(OC)c1OC)-c2nc(cs2)C=O
+COc1cc(cc(OC)c1OC)Nc2ncnc(Nc3cccc(NC(=O)C=C)c3)n2
+COc1cc(cc(OC)n1)CCc2[nH]nc(c2)Nc3ccnc(n3)NCc4onc(c4)C
+COc1cc2c(cc1)n(cc2CC(=O)O)C
+COc1cc2c3c([nH]c2cc1)CC(C(=O)NC)C3
+COc1ccc(CCSC)c([N+]([O-])=O)c1
+COc1ccc(c(C#N)c1)CC(=O)O
+COc1ccc(c(I)c1)C=CC(C)=O
+COc1ccc2N(C(CC(CCNC)c2c1)=O)C
+COc1cccc(C=C(S(=O)C)SC)c1Cl
+COc1cccc(NC(c2cc(Nc3c4occc4nc(N5C(CCC5)c6ncccc6)n3)n[nH]2)=O)c1
+COc1cccc(OC)c1COc2cccc(CC(O)=O)c2
+COc1cccc(c1)C(C)(CNC)O
+COc1cccc2nccc(Br)c12
+COc1cn2cc(-c3cnc(NC)cc3)nc2cc1
+COc1cnc(cc1)COC(C)=O
+COc1cnc(cc1)Nc2ccn(C)n2
+COc1cnc2ccc(F)c(c2n1)CC#N
+COc1cncnc1OCC#Cc2cccc(CC#N)c2
+COc1nc(N(Cc2sc(Cl)nc2)CC)c(Cl)cc1
+COc1nc(nc(OC)c1)Oc2c(-c3oc(OCC)c(C(C)C)n3)c(ccc2)Cl
+COc1nc(nc(OC)c1)Oc2c(nc(N3CCCC3)cc2)C(O)=O
+COc1nnc(-n2nc(cc2-c3ncccc3)C(=O)OC)cc1
+CSCOc1ccc(N)c(N)c1
+CSc1cc2ccccc2cc1O
+C[Si](C)(C)C#Cc1c(C#N)ncc(Cl)c1
+C[Si](C)(C)C#Cc1c(N)ncc(-c2ccc(cc2)S(=O)(=O)C(C)C)n1
+C[Si](C)(C)C#Cc1c(ccc([N+](=O)[O-])c1)NC(C)(C)C
+C[Si](C)(C)C#Cc1cc(nc(c1O)Cl)CO
+C[Si](C)(C)C#Cc1cnc(C(F)(F)C2(CO2)c3c(cc(cc3)F)F)cc1
+C[Si](C)(C)C#Cc1n(C2CCN(C2)C(=O)OC(C)(C)C)c3c(c(ncn3)N)c1-c4ccc(cc4)Oc5ccccc5
+C[Si](C)(C)CC=CCC(O)CCc1ccccc1
+C[Si](C)(C)CCOC(=O)C(NC(OC)=O)Cc1c2ccccc2c(Nc3c(C(O)=O)cccc3)cc1
+C[Si](C)(C)CCOC(=O)C(c1c(CCC(=O)c2cccc(C=Cc3nc4c(ccc(Cl)c4)cc3)c2)cccc1)CC
+C[Si](C)(C)CCOC(N1CC(C(CC1)c2ccc(cc2)F)OCc3cc4c(cccc4)c(OCOCC[Si](C)(C)C)c3)=O
+C[Si](C)(C)CCOCN1C(=O)C(C)=C(c2c(cc(Oc3c(cccn3)C4CC4)cc2)C)N(C)C1=O
+C[Si](C)(C)CCOCN1C(=O)C(CCC1)(CC#Cc2nc(cc(-c3cc(OCC)ccc3F)n2)C)NC(OC(C)(C)C)=O
+C[Si](C)(C)CCOCN1C(c2cc(ccc2N=C1n3ncc(C(OCC)=O)c3)NCC)=O
+C[Si](C)(C)CCOCOC(C)(C)COc1c(OC)cc(N)cc1
+C[Si](C)(C)CCOCOc1c(Br)cc(cc1)CC(O)C(OC)=O
+C[Si](C)(C)CCOCn1c(-c2c(C#C[Si](C)(C)C)cnc(n2)N)cc(C(OCC)=O)c1-c3cc(Cl)ccc3C
+C[Si](C)(C)CCOCn1c(C(=O)c2ccc3NC(Sc3c2)=O)ccn1
+C[Si](C)(C)CCOCn1c(ccc1)C(=O)c2ccc(cc2)NC(OCC)=O
+C[Si](C)(C)CCOCn1c2c(c(C(=NN)C3CCCCC3)ncn2)cc1
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cc(cnc3)NC(=O)C(C)(C)C
+C[Si](C)(C)CCOCn1c2c(c(C=O)n1)cc(cc2)-c3cncc(c3)NC(Cc4ccccc4)=O
+C[Si](C)(C)CCOCn1c2c(cc(cc2)C#C)cn1
+C[Si](C)(C)CCOCn1c2c(ccc(N3CC(CC3)O)c2)c(C(Nc4cn(nc4)Cc5cccc(c5)C#N)=O)n1
+C[Si](C)(C)CCOCn1c2c(nc1I)CN(CC2)C(OC(C)(C)C)=O
+C[Si](C)(C)CCOCn1c2ccc(C(=O)c3ccccc3C#N)cc2cc1
+C[Si](C)(C)CCOCn1c2ccc(cc2nc1)-c3nc(CS(=O)(=O)C)cc(N4CCOCC4)n3
+C[Si](C)(C)CCOCn1c2cnc(c(F)c2c3c1nccc3)C#N
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C4(CC(C4)C=O)CC#N)c3)c2cc1
+C[Si](C)(C)CCOCn1cc(-c2ccc(cc2)Br)nc1C3N(CC(C3)OCCOC)C(=O)OC(C)(C)C
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(cc(C3(CCOCC3)C(=O)OC)cc2)C=4CCCCC=4
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(cc(cc2)C(=O)C)C=3CCCCC=3
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2ccc(cc2C3=CCCCC3)C(C)C
+C[Si](C)(C)CCOCn1cc(C(=O)NC(C)(C)C)c2c1nc(c(Nc3cnn(C)c3)n2)C
+C[Si](C)(C)CCOCn1cc(c2c(nc(Cl)nc12)OC3CCC(CC3)(C)O)I
+C[Si](C)(C)CCOCn1cc(c2c1ncc(Br)n2)C(NCC(C)(C)COCOCC[Si](C)(C)C)=O
+C[Si](C)(C)CCOCn1cc(c2nc(Nc3ccc(cc3)C=C(C(NC)=O)C#N)cnc12)C(=O)C(C)(C)C
+C[Si](C)(C)CCOCn1cc(c2nc(cnc12)OC3CCCCC3)C(=O)NC(C(C)(C)C)C(N4CCC(CC4)C#N)=O
+C[Si](C)(C)CCOCn1ccc2c1ncnc2-c3cn(C(CC#N)CN4CC(F)C(O)CC4)nc3
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CNCC(F)(F)F)=O)cnc12
+C[Si](C)(C)CCOCn1cnc2c(ncnc12)I
+C[Si](C)(C)CCOCn1nc(-c2ccc(cc2)Nc3cnccc3)c4c1-c5c(scc5)C4
+C[Si](C)(C)CCOCn1nnc2cnc(Cl)cc12
+C[Si](C)(C)CN=C(SC)c1ccc(Br)c(C)c1
+C[Si](C)(C)CN=C(c1cc(C#N)c(-n2ncnc2)cc1)SC
+C[Si](C)(C)OC(=C)CCOCc1ccccc1
+C[Si](C)(C)OC(C=1N2C(C(NC=O)C2S(CC=1CBr)=O)=O)=O
+C[Si](C)(C)OC(CC#C)(CCC)CCCC
+C[Si](C)(C)OC(CCCC)(CC=C[Sn](CCCC)(CCCC)CCCC)C(F)F
+C[Si](C)(C)OC(N=Cc1cc(I)ccc1OCC=C)=C
+C[Si](C)(C)OC(c1ccc(cc1)-n2cncn2)=C
+C[Si](C)(C)OC1CC(N(C(=O)OCc2ccccc2)C1)COC
+C[Si](C)(C)OCC(CCC)(CCC)COC
+C[Si](C)(C)c1c(C(=O)NCC)c(ccc1Cl)Cl
+C[Si](C)(C)c1c(cc(C(Cc2ccc(cc2)Cl)=O)c(F)c1F)Br
+C[Si](C)(C)c1c(ccc(Cl)c1C(=O)NCC)[N+]([O-])=O
+C[Si](C)(C)c1cc(C(C(=O)c2cc(ccc2)Br)=O)ccc1
+C[Si](C)(C)c1cc(NNC(c2c(F)cccc2)=O)nnc1Cl
+C[Si](C)(C)c1cc2c(cc(C(=O)Nc3cnc(cc3)N4CC(C4)O)n2Cc5cccc(F)c5)cc1
+C[Si](C)(C)c1cc2cc(C(OCC)=O)n(Cc3cc(ccc3)C)c2cc1
+C[Si](C)(C)c1ccc(cc1)-n2c(c(cc2-c3ccc(cc3Cl)Cl)C(=O)NN4CCCCC4)C
+C[Si](C)(C)c1ccc(cc1)C=C(F)c2nn(c(C)c2)Cc3ccnc(c3)N4CCN(CC4)C5CC5
+C[Si](C)(C)c1ccc(cc1)CN(CCc2cc(ccc2)C(F)(F)F)C(=O)c3c4[nH]ccc4cc(Cl)c3F
+C[Si](C)(C)c1cn(-c2cc(OCC(=O)O)ccc2)nn1
+C[Si](C)(c1ccc(cc1)Cl)Cn2ccnc2
+Cc1c(-c2csc(n2)Nc3c(ccc(-c4n(cnc4)C)c3)OC)sc(C)n1
+Cc1c(-c2nnc(SCCCN3CC4(CC3)CCc5cc(Cl)ccc45)n2C)sc(C)n1
+Cc1c(Cl)cc(N)c(N)n1
+Cc1c(c(N2CCc3c(ccc(OC)c3)C2C)nc(Cl)n1)C
+Cc1c(c(O)nc(C)n1)I
+Cc1c(c(ccc1)-c2c3c(CC(CNC)O3)ccc2)C
+Cc1c(cc2CCCCC(c2n1)OC)C(=O)OCC
+Cc1c(cc2ccc(cc2n1)OCc3cc(Cl)ccc3)C(=O)OCC
+Cc1c(ccc(n1)N)OC(C)=O
+Cc1c(cccc1)-c2c(ccc(I)c2C)SC
+Cc1c(cccc1)-c2cc(F)c3c(c2)CC(CNC)O3
+Cc1c(nnn1-c2cc(Cl)c(F)cc2)C(Nc3ccnc(Cl)c3)=O
+Cc1c2c(-c3ccc(Cl)cc3OC2)ccn1
+Cc1c2c(ccnc2n(-c3ncccc3)n1)O
+Cc1c2ccc(C#CC(O)(C)c3cocn3)cc2n(-c4ccnc(N)n4)n1
+Cc1c2ccc(N3CC(OC3=O)Cn4nncc4)cc2on1
+Cc1cc(C(c2cc(OCc3cccc(c3)OC)ccc2)=C)ccc1OC
+Cc1cc(cc(C)c1)-c2c(O)nc3c(cc(c(c3)Cl)NC(NC4CC4)=O)c2OCCC5CCCCN5
+Cc1cc(cc(C)c1)Nc2cc(NC3CCCCC3N)nnc2C(N)=O
+Cc1cc(cc(C)c1)Nc2nc(SCC)nc(c2C(=O)N)S(=O)C
+Cc1cc(cc(C)c1-c2c3n(nc2C)c(NCCNC4CCOCC4)cc(C)n3)Cl
+Cc1cc(cc(C)c1-c2cc(ccc2)C=O)OCC3(CCSCC3)O
+Cc1cc(cc(C)c1-c2ccc(cc2)C(C)C)OC(c3ccc(cc3)C(NCC(C(=O)O)O)=O)C(C)C
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)(C(=O)N)N)N3C(NC(=O)C3(C)C)=O
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)(C(=O)N)N)NC
+Cc1cc(cc(C)c1Cc2ccc(c(Cc3ccc(cc3)F)c2)OC)NC(C(=O)O)=O
+Cc1cc(cc(C)c1NC(=O)c2sccc2NS(=O)(=O)c3ccccc3)C
+Cc1cc(cc(C)c1Nc2nc3c(c(N)cc(C)c3)s2)C
+Cc1cc(cc(C)c1OCC(O)=O)C(=NO)c2cccs2
+Cc1cc(cc(C)c1OCCCN2CCOCC2)-c3nc4c(o3)nc(Cc5ccc(cc5)Cl)nc4OCCC
+Cc1cc(cc(C)c1Oc2ccc(OC)c(Oc3ccccc3)c2)[N+]([O-])=O
+Cc1cc(cc(C)c1S(=O)(=O)N)Nc2nc(c(Br)cn2)NC(CO)C
+Cc1cc(ccc1)CC(N2CCc3c2ccc(-c4c5c(n(CC)n4)ncnc5N)c3)=O
+Cc1cc(ccc1)OCC(C)N
+Cc1cc(ccc1C#N)C(=O)C
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(C#N)n(C)n4)C
+Cc1cc(n[nH]1)Nc2c(cnc(Nc3c(C)cc(c(c3)C)C4CCCCN4CC(N)=O)n2)Cl
+Cc1cc(n[nH]1)Nc2c3ccccc3nc(n2)C(=O)c4cc(c(F)cc4)O
+Cc1ccc(cc1-c2cc3nnc(-c4c(cccc4)Cl)n3cc2)C(=O)NN
+Cc1ccc2oc(C(=O)N)cc2c1
+Cc1cccc(C)c1-c2c(C)c(COS(=O)(=O)C)ccc2
+Cc1cccc(C)c1-c2ccc3n4c(nc5ccccc45)c6c(nc(C)cc6)c3c2
+Cc1cccc(C)c1COc2c(C)c(ccc2)Cc3nnn[nH]3
+Cc1cccc2c1ncc(C(=O)CCC)c2Nc3ccccc3OC
+Cc1ccccc1-c2c(ccc3c2OC(CN)C3)F
+Cc1ccccc1-c2cc(c(C(=O)N3Cc4n(Cc5c3cccc5)c(C(=O)O)cc4)cc2)OC
+Cc1n(C2=CC(=O)N(C)C=C2)c(nc1C#Cc3cccc(C)c3)C
+Cc1n-2c(CN=C(c3c([N+]([O-])=O)cccc3)c4ccsc-24)nn1
+Cc1nc(-n2nnnc2)ccc1C(C)C(=O)O
+Cc1nc(C(N2CC3C(C2CNC(=O)c4c5C=CCOc5ccc4)C3)=O)c(s1)-c6cccc(c6)C
+Cc1nc(Cl)c(-c2noc(-c3cc(OC)c(O)c([N+]([O-])=O)c3)n2)c(c1Cl)C
+Cc1nc(Cl)c2c(n(C(C)CO)c(CCl)n2)c1C
+Cc1nc(N)nc(NCCCC)c1Cc2c(OC)cc(cc2)N3CCN(CC3=O)C
+Cc1nc(N)nc(NCCCCC)c1Cc2ccc(cc2F)CC(OC)=O
+Cc1nc(O)ccc1-c2cn3c(ncc3)cc2
+Cc1nc(Oc2cccc(c2)CC(OC)=O)ccc1C=O
+Cc1nc(c2c(n(c(C)n2)CCOCCCc3cnccc3)c1C)N
+Cc1nc(c2ccc(OC)cc2c1C=O)Cl
+Cc1nc(cc2c3ccc(O)cc3[nH]c12)O
+Cc1nc(nc(C)c1)NCCCCCN(C(=O)CCCCCCCCCCCCC)CCCNC(=O)CC(C)C
+Cc1nc(nc(N)c1C)CCCC
+Cc1nc(nc(O)c1C)-c2ccc(NC(CCl)=O)cn2
+Cc1nc(sc1Br)-c2ccc(C(=O)O)cc2C
+Cc1nc2N(C(N(CCCCC(O)C)C(c2[nH]1)=O)=O)C
+Cc1nc2ccc(N)c(c2[nH]1)C
+Cc1nc2nc(ncc2cc1Br)NCCOC
+Cc1nccn2c(ccc12)C(=O)N
+Cc1nn(-c2ccc(cc2F)O)c(I)c1C#N
+Cc1noc(C)c1-c2ccc3C(C=C(CO)N(c4ccc(cc4F)F)c3c2)=O
+Cc1sc(CNc2c(C)c(nc(n2)OCCCc3[nH]c4c(cccc4)n3)Cl)c(n1)C
+ClC(Cl)(Cl)C(Nc1cccc(OC)c1C=O)=O
+ClC(Cl)(Cl)COC(=O)Nc1cc(C(C)(C)C#N)nn1-c2cccc(c2)OCCO
+ClC(Cl)(Cl)COC(Nc1cc(nn1-c2cc3c(ncs3)cc2)C(C)C)=O
+ClC(Cl)(Cl)c1nc(OC(N(C)C)=O)cc(CCl)n1
+ClC(Cl)(Cl)c1onc(Cc2ccccc2)n1
+ClC(Cl)=C(Cl)c1cc(CN=[N+]=[N-])cc(C)c1
+ClC(Cl)=C(c1cc(c(cc1)CN)O)Cl
+ClC(Cl)=C1C2CCC1c3c2cccc3CNC4CC4
+ClC(Cl)=CCOc1cc(CC)c(c(c1)CC)OCCCCOCC=NOCc2ccccc2
+ClC(Cl)=CCOc1cc(c(OCOC)c(c1)Cl)C
+ClC(Cl)C(NC(C(O)c1ccc(cc1)-c2ccc(CCC#N)nc2)CF)=O
+ClC(c1cc(C)c(cc1)[N+]([O-])=O)=NO
+ClC1(Cl)C(C(NCC)=O)(C)C1
+ClC1(Cl)CC1(C)CCOc2ccc(N)cc2Cl
+ClCc1c(F)ccc(I)c1C
+ClCc1nc2c(cc3c(c2)CC4(c5cccnc5NC4=O)C3)cc1
+ClCc1nnc(NC(=O)N(C(C=O)COC)CCl)s1
+Clc1c(F)c(c(c(Cl)c1F)F)S(=O)(=O)Nc2cc(O)c(OC)cc2
+Clc1c(SCCCCl)c(ccc1)NN
+Clc1c(c(F)ccc1N)Cl
+Clc1c(cc(F)c(C)c1[N+](=O)[O-])C(=O)OC
+Clc1c(cc2ccccc2n1)C(Nc3ccc(C(OC)=O)nc3)=O
+Clc1c(n[nH]c1C)C(=O)N(Cc2cc(c(cc2)Cl)Cl)CCCC
+Clc1c(nc(c2c1CNC2=O)-c3cn(C)nc3)NC4CCCCC4N
+Clc1c2c(ccc(c2)OCC=C)ccn1
+Clc1c2c(nc(CCl)n1)cc(OCC)c(OCC)c2
+Clc1c[n+](cc(Cl)c1COC2OCCCC2)[O-]
+Clc1cc(-c2cc3[nH]c(NC(c4nc5cccc(N6CC(CC6)O)n5c4)=O)nc3cc2)cc(c1)F
+Clc1cc(-n2c3c(cc(OC)cc3)cc2)c(NCC(=O)O)cc1
+Clc1cc(Br)c2c(n(cn2)C)c1
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(c2F)CNC(c3cc4c(c(C)ccc4)[nH]3)=O)c1
+Clc1cc(C#N)cc(c1)OC2=C(C)C=CN(CCc3n[nH]c4ncccc34)C2=O
+Clc1cc(C(Nc2ccc(Br)cn2)=O)c(c(c1)O)N
+Clc1cc(C(Nc2nnn[nH]2)=O)c(cc1)O
+Clc1cc(C2CO2)ccc1
+Clc1cc(N)c(O)c(CCc2ncccc2)c1
+Clc1cc(OC(CCCI)c2cccs2)c(Cl)cc1
+Clc1cc(OC(CCCO)c2ccsc2)c(cc1)C#N
+Clc1cc([N+]([O-])=O)cc(C)c1
+Clc1cc(c(C2CC(=O)NC(=C2C(Nc3cc(Cl)c4n[nH]cc4c3)=O)C)cc1)F
+Clc1cc(c(Cl)c(CC#N)c1)OC
+Clc1cc(c(O)cc1)C=Cc2c(cccc2)Cl
+Clc1cc(c(c([N+]([O-])=O)c1)NC)OC
+Clc1cc(c(cc1)-c2cc(N)c(cc2)CC)F
+Clc1cc(c(cc1)C2=CC(=O)n3c(N2)c(cn3)-c4ncccc4)F
+Clc1cc(c(cc1)COc2ccnn2-c3nccc(C#N)c3)OC(CC)C
+Clc1cc(cc(CC#N)c1)O
+Clc1cc(cc(Cl)c1)C(C)(C)C(=O)N(C)c2cnc(N3C(CO)CC(C3)O)cc2-c4c(Cl)cccc4
+Clc1cc(cc(Cl)c1)C=2CC(C(=O)O)(ON=2)CO
+Clc1cc(cc(Cl)c1)COC(N2CCC(CC2)CCN(C)C(C=3CC(=O)NN=3)=O)=O
+Clc1cc(cc(Cl)c1C(C(N2CCCC2)=O)c3ccc(cc3)Cl)N4N=CC(NC4=O)=O
+Clc1cc(cc(Cl)c1C=O)[N+](=O)[O-]
+Clc1cc(cc(Cl)c1CCC(N(OC)C(c2cn(nc2C(F)F)C)=O)C)Cl
+Clc1cc(cc(Cl)c1N2C=3C(=C(N2)C(C)C)C(=O)N=C(Cc4ccc(cc4)NC(=O)CN5CCNCC5)N=3)Cl
+Clc1cc(cc(Cl)c1OCCCCCCCCCCCC)C(Cl)=O
+Clc1cc(cc(Cl)c1OCCCCOCC=NOCC=C(Cl)Cl)OCC=C(Cl)Cl
+Clc1cc(cc(Cl)c1Oc2ccc(O)c(c2)CN3CCCCC3)N4C(=O)NC(C=N4)=O
+Clc1cc(cc(Cl)c1Oc2ccc(c(NS(=O)(=O)c3ccc(cc3)F)c2)O)N4C(=O)NC(C=N4)=O
+Clc1cc(cc(Cl)c1Sc2nc3c(ccc(C#N)c3)s2)N
+Clc1cc(cc(Oc2ccc([N+]([O-])=O)cc2C=O)c1)CC(OC)=O
+Clc1cc(cc2cc[nH]c12)F
+Clc1cc(ccc1)NC(=O)N2Cc3c(CC2)[nH]nc3C(N(OC)CC)=O
+Clc1cc(ccc1)NC2c3cc(-c4cnn(c4)CCOC)ccc3N(C(C)C2)C(=O)C
+Clc1cc(ccc1)Nc2nc(-c3cc(C(NO)=N)ncc3)ncn2
+Clc1cc(ccc1)Nc2ncc(Br)s2
+Clc1cc2C(=O)C(N3CCC(c(c23)c1)C(OC)=O)=O
+Clc1cc2N(CCOc2c(c1)C(=O)O)C
+Clc1cc2N(Cc3ccccc3Oc2cc1)C(=O)CNC(=O)CCSCC
+Clc1cc2OCC(N(C(=O)c3cc4NC(=O)COc4cc3)c2cc1)CC(N)=O
+Clc1cc2c(-c3cc[n+](cc3C(=O)N2C)[O-])cc1
+Clc1cc2c(N=C(c3n(nc(Br)c3)-c4ncccc4Cl)OC2=O)c(C)c1
+Clc1cc2c(c(sc2cc1)-c3ccnc(n3)N)CC
+Clc1cc2c(cc1)[nH]c(c2)C(=O)NC3Cc4ccccc4N(CCSC)C3=O
+Clc1cc2c(cc1)c(NCCCNC3CCc4c(ccc(n4)O)C3)c5c(CCCC5)n2
+Clc1cc2c(cc1)nc(O)c(C(C=Cc3c(cncc3C)F)=O)c2-c4cnccc4
+Clc1cc2c(cc1)scc2CBr
+Clc1cc2c(ccnc2cc1)C=NNC=3N=C(N)N(C(=O)C=3)C
+Clc1cc2c(nc(CCC)nc2Cl)cc1
+Clc1cc2c(nc(Cl)c3c2n(cn3)-c4c(Cl)cccc4)cc1
+Clc1cc2c3C(=NNC(=N)N)CCCc3[nH]c2cc1
+Clc1ccc(-c2c(N)c(NC(CCC)C)ncc2)c(Cl)c1
+Clc1ccc(Br)c(c1C(=O)N)F
+Clc1ccc(C(N(c2ccc(Cl)c(OC)c2)c3nc(C(=O)O)cs3)=O)c(Cl)c1
+Clc1ccc(C(c2oc3cc(ccc3c2COC)Br)=O)c(Cl)c1
+Clc1ccc(C=NO)c(F)c1C(=O)OC
+Clc1ccc(CC)c(-c2c(C(=O)N)cc(-c3c(cnc(N)n3)Br)[nH]2)c1
+Clc1ccc(CCN2C(=Nc3c(ccc([N+]([O-])=O)c3)C2=O)Cl)c(Cl)c1
+Clc1ccc(Cl)c(c1)-c2cccc3CCC(Oc23)CNC
+Clc1ccc(I)c(CN)c1
+Clc1ccc(N=C=S)cc1-c2c(cncc2)F
+Clc1ccc(OCOCCOC)c(c1)CCl
+Clc1ccc(c(C(Nc2nn(cc2)-c3ccc(c(C)c3)C)=O)c1)NC(=O)c4cccc(CSCCC(=O)O)c4
+Clc1ccc(c(C=O)c1)-n2nnnc2
+Clc1ccc(c(Cl)c1)-c2c(CN)c(nc(-c3cc(c4ccn(c4c3)C)OC)n2)N
+Clc1ccc(c(Cl)c1)-c2cnc(N)c(c2C#N)Cl
+Clc1ccc(c(Cl)c1)C2C(C(=O)OCC)=C(N=C(c3ncccc3F)N2)CN4CCOC(C(=O)O)C4
+Clc1ccc(c(Cl)c1)CCOc2cc(cc(OC)c2Cl)C(=O)O
+Clc1ccc(c(Cl)c1)CNC(c2cnc(nc2O)NC(CCC(=O)O)=O)=O
+Clc1ccc(c(F)c1)-c2c(F)cncc2C(=O)NC
+Clc1ccc(c(OC)c1)Oc2ccc(C(=O)N)cc2-c3cccnc3OC
+Clc1ccc(c(c1)Cl)-c2c3CN(CCc3nc(NCCNc4ccc(C#N)cn4)n2)C(C)=O
+Clc1ccc(c(c1)O)C2(CO)C(=O)N(c3ccccc23)CC(=O)OC
+Clc1ccc2N(C(=O)C)C(=O)C(C(c3sccc3)=O)c2c1
+Clc1ccc2SCCC(C(OCC)=O)c2c1
+Clc1ccc2c(C3(COc4cc5c(cc34)CCO5)C(N2CC(=O)O)=O)c1
+Clc1ccc2c(c(n(c2c1)C)-c3cncc(CNCCO)c3)C#N
+Clc1ccc2c(c1)[nH]c(c2C=O)C(=O)OCC
+Clc1ccc2c(cc(C(NCC(N3CCSC3C(=O)O)=O)=O)[nH]2)c1
+Clc1ccc2c(cn(CCC)c2c1)C(=O)O
+Clc1ccc2c(n(C(=O)CC(C)CC(=O)O)c(CCCCCC)c2)c1
+Clc1ccc2c(nc(C3CNC(C)CC3)o2)c1
+Clc1ccc2c(nc(C=Cc3cc(ccc3)CN4c5c(cccc5CC4)CCc6nnn[nH]6)cc2)c1
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(=O)OCCC)n2)c1
+Clc1ccc2c(nccc2NCCOCCBr)c1
+Clc1ccc2oc(-c3cc(C(=O)O)ccc3)cc2c1
+Clc1ccc2oc(nc2c1)NCC3N(CCCC3C)C(=O)c4c(ccc(C)c4)-c5cc(ncc5)C
+Clc1cccc(-c2c(-c3cc(ccc3)C#N)cc(s2)C(=O)O)c1
+Clc1cccc(C#Cc2nc(C)ccc2N)c1
+Clc1cccc(C(O)CN)c1
+Clc1cccc(C2=CC(=O)N(C)c3ccc(C(c4cccc(I)c4)=O)cc23)c1
+Clc1cccc(CNCCc2cc3NC(C4C(CCC4)c3cc2Cl)=O)c1
+Clc1cccc(CNc2cc(n(C)n2)C=O)c1
+Clc1cccc(CSc2nnc(o2)-c3cc4c(occ4)cc3)c1
+Clc1cccc(Cl)c1-c2noc(C3CC3)c2COC4(CC5CCC(C4)C56OCCO6)C
+Clc1cccc(Cl)c1C(=O)NC(C(=O)O)CC=Cc2ccc(cc2)N(c3ncccn3)C(C)C
+Clc1cccc(Cl)c1C(=O)NC(Cc2ccc(cc2)C3CCN(CC3)S(=O)(=O)C)C(O)=O
+Clc1cccc(Cl)c1C(=O)NC(Cc2ccc(cc2)OCCCCl)C(O)=O
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=Cc2ccc(cc2)C3(CCOCC3)COC)=O
+Clc1cccc(Cl)c1C(NC(C(=O)OC)CC=Cc2ccc(cc2)Oc3nc(OC)cc(n3)OC)=O
+Clc1cccc(Cl)c1COCCOCCCCCCNCC(O)c2ccc(O)c(c2)CO
+Clc1cccc(Cl)c1Nc2c(csc2Cl)CC(O)=O
+Clc1cccc(Cn2c(c(CC(N)=O)c3cc(ccc23)O)CC)c1
+Clc1cccc(OCC(F)CCC2C(CC3C2CC(O3)=O)OC4OCCCC4)c1
+Clc1cccc(Oc2cc(ccc2OC)CBr)c1
+Clc1cccc(c1)-c2[nH]c3c(ncnc3Cl)n2
+Clc1cccc(c1)-c2c(ncn2C)-c3cc(C#N)ccn3
+Clc1cccc(c1)-c2nn(-c3cc(CBr)c(Cl)cc3)cc2
+Clc1cccc(c1)-c2nn3c(C)nnc3c(C)c2
+Clc1cccc(c1)-c2noc(C)c2CO
+Clc1cccc(c1)-c2onc(c2)C=O
+Clc1cccc(c1)C(N)Cc2ncccc2
+Clc1cccc(c1)C(O)c2cc(n(c2)C)C(=O)O
+Clc1cccc(c1)C=CC(=O)N2C(CN(CC2)c3nccnc3C#N)CO
+Clc1cccc(c1)Oc2cc(OC)ccc2C3CN(C(=O)C3)c4cccc(C(=O)N)c4
+Clc1cnc(NC2CC(C(=O)N)CCC2)nc1S(=O)C
+Clc1cnc(c(Cl)c1)-n2c(c([N+]([O-])=O)cn2)NC(CC)=O
+Clc1cnc(c(c1)Nc2c([N+]([O-])=O)cc(C)c(Cl)n2)OC
+Clc1cnc(cc1)C(Nc2ccc(c(C34C(CCSC(N)=N3)C4)c2)F)=O
+Clc1cnc2c(c1)n3c(c(NCCO)n2)nnc3
+Clc1cnc2c(c3c(cnc(C#N)c3)[nH]2)c1
+Clc1cnc2n(c1)nc(C(=O)N3CCc4c(ccc(OC)c4)C3C)c2
+Clc1cncc(Cl)c1NC(c2ccc(SC)c(OC3CCCC3)c2)=O
+Cn1c2c(cccc2)c(c1)C3C(C(=O)N(C)C3=O)c4c5ccccc5[nH]c4
+FC(F)(C#N)C(F)(F)OC
+FC(F)(C(=O)NO)c1ccc(cc1)NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C
+FC(F)(C(=O)Nc1cccc(OC(CCCCCCCCCCCC)C(=O)Cl)c1)C(F)Cl
+FC(F)(C(C)(C)OC(C)OCC)CCI
+FC(F)(C)C(=O)NC(C)C(Oc1cc2cnn(-c3cccc(C(NC4COCC4)=O)c3)c2cc1)c5ccc(OC)nc5
+FC(F)(C)C=CC(=O)NCCNc1cc(ccn1)OCC
+FC(F)(C)COc1ncc(cc1C)CN2Cc3c(ccnc3Cl)C2=O
+FC(F)(C1C2CSC(NC2(CO1)c3c(F)ccc(NC(c4cnc(cn4)-n5ncnc5)=O)c3)=N)C
+FC(F)(CNC(c1ncccc1C)=O)c2c(cc(Cl)cc2)Cl
+FC(F)(CNc1ccc(C#N)c(CC(=O)O)c1F)c2ccc(cn2)C
+FC(F)(COc1c(CNc2ncc(C#N)c(NC3CCC(O)(C)C(C)(C)C3)n2)cncn1)C
+FC(F)(COc1c(Cl)cc(Oc2c(Cl)cc(C(=O)O)c(c2)F)cn1)C(F)F
+FC(F)(Cl)c1c(cc(c(n1)O)C(O)=O)Cl
+FC(F)(F)C(=C)c1cc(C)c(c(C)c1)NC(=O)c2cccc(c2)NC(=O)c3c(C)cccc3
+FC(F)(F)C(=CC1C(C(OCc2ccc(c(c2)Cc3ccccc3)F)=O)C1(C)C)Cl
+FC(F)(F)C(=NOCCBr)c1ccccc1
+FC(F)(F)C(=O)C(C)(C)C(c1cc2c(cc1)n(-c3ccc(cc3)F)nc2)c4ccccc4
+FC(F)(F)C(=O)N1C(C)CN(c2c1ccc(c2)Br)C(=O)c3c(F)cccc3
+FC(F)(F)C(=O)N1C2C(C)(C)C(C)(c3ccc(c(c3C2)OC)[N+](=O)[O-])CC1
+FC(F)(F)C(=O)N1CC(c2cccc3[nH]cc(Cl)c23)CCC1
+FC(F)(F)C(=O)N1CCC(CC1)N(Cc2ccc(cc2)Cl)C(=O)Cc3ccc(cc3)OC
+FC(F)(F)C(=O)N1CCCC(c2c(c(ccc2)N)NC(=O)OCC)C1
+FC(F)(F)C(=O)N1CCc2c(cccc2CCCC(=O)OCC)C1
+FC(F)(F)C(=O)N1Cc2c(CC1)cc(cc2)OCC
+FC(F)(F)C(=O)NC(C)Cc1c(OC)cc(c(c1)OC)Cc2ccccc2
+FC(F)(F)C(=O)NC1CCCN2C1c3c(cc(cc3)F)Oc4cc(c(cc24)C#N)F
+FC(F)(F)C(=O)NC1Cc2c(cc(c(CC)c2)CC)C1
+FC(F)(F)C(=O)NCC#Cc1cc(NCC2(CCCCC2)O)ccc1
+FC(F)(F)C(=O)NCC(C)(C)Cc1cccc(c1)C#CC(CCC)(CCC)O
+FC(F)(F)C(=O)NCC=Cc1cccc(OCC2CCOCC2)c1
+FC(F)(F)C(=O)NCCc1c(c(ccc1)Br)CC
+FC(F)(F)C(=O)NCCc1c(ccc(c1)OC)I
+FC(F)(F)C(=O)NCc1cc(c(cc1F)Cl)C=2NN(c3cc(c(cc3)C)Cl)C(=O)N=2
+FC(F)(F)C(=O)OC(CC)COC(CC)COC(C)C
+FC(F)(F)C(=O)c1ccccc1NC(c2ccco2)=O
+FC(F)(F)C(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)c(O)c1)(O)C
+FC(F)(F)C(C(c1cc(Oc2ccc(C(OC)=O)c(c2)Cl)ccc1Cl)C)(c3cc4N(C(=O)COc4cc3)C)O
+FC(F)(F)C(C)(C)C(N)=S
+FC(F)(F)C(C)(C)c1c(cc(cc1F)C2CC2C(=O)NCC(=O)c3nccn3CC)F
+FC(F)(F)C(C)(C)c1ccc(cc1)-c2noc(C3=CN(C(=O)C=C3)Cc4cnc(NC)cc4)n2
+FC(F)(F)C(C)(C1CCC(CC1)N)O
+FC(F)(F)C(C)CCC(O)=O
+FC(F)(F)C(C)NC(C(c1cn(c(c1)C(Nc2cc(c(F)cc2)C)=O)C)=O)=O
+FC(F)(F)C(C)Nc1nc(nc(Cl)c1-c2c(F)cc(cc2F)OCCCN(C)C)-c3ccccn3
+FC(F)(F)C(C)OC(N1CCC(CC1)C2(Oc3cnc(cc3C2)-c4ccc(cc4)S(=O)(=O)C)C)=O
+FC(F)(F)C(C)OCc1cc(Cl)cc(c1)-c2cc(nn2-c3ccc(cc3)F)NC(C4CC(NC4)=O)=O
+FC(F)(F)C(C)Oc1c(cc(S(=O)(=O)C)cc1)C(=O)N2CCN(CC2)c3sc(C(F)(F)F)cn3
+FC(F)(F)C(C=Nc1c2c(ccc1)c(ncc2)O)(O)CC(C)(C)c3c(c(c(cc3)Cl)F)OC
+FC(F)(F)C(C=Nc1cc(cc2c1cnc(C)n2)F)(CC(c3cccc(c3OC)F)CCC)O
+FC(F)(F)C(CC(C)(C)c1c(OC)ccc(F)c1)(CNC(=O)c2cnn(c2N)-c3ccc(cc3F)F)O
+FC(F)(F)C(CC)(O)c1nnc(o1)NCc2ccn3c(cc(C(OCC)=O)c3-c4ccc(cc4)F)c2
+FC(F)(F)C(CC1(CCOc2ccc(S(=O)(=O)C)cc12)C)(Cc3cc4c(cc(C#N)cc4[nH]3)C)O
+FC(F)(F)C(CC1(c2cc(SC)ccc2OCC1)C)=O
+FC(F)(F)C(CCCCCCCC)(C(Cl)=O)F
+FC(F)(F)C(CN(CC)C(c1ccccc1)=O)(O)CNc2c3cnn(-c4ccccc4)c3cc(C)c2
+FC(F)(F)C(CN1C(=NN(Cc2sc(-c3c(Cl)cccc3)cn2)C1=O)c4ccc(cc4)Cl)O
+FC(F)(F)C(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)(CNC(=O)c3c(cccc3F)Cl)O
+FC(F)(F)C(Cl)=CC1C(C)(C)C1C(=O)OCc2c(c(F)nc(c2Cl)F)Cl
+FC(F)(F)C(F)(F)C1=NN(C(C1)c2ccc(cn2)-c3cc(C(=O)C)ccc3)c4c(Cl)cccc4
+FC(F)(F)C(F)(F)CCCCC(C(=O)OCC)(C(=O)OCC)CCCCCCC=C
+FC(F)(F)C(F)(F)CCCCCCCNC
+FC(F)(F)C(F)(F)CCNC(C(C)(F)C(NC1C(N(c2c(-c3c1cccc3)cccc2)CC4CC4)=O)=O)=O
+FC(F)(F)C(F)(F)CNC(=O)OC(C)C(NC1C(Nc2c(cccc2)-c3c1cccc3)=O)=O
+FC(F)(F)C(F)(F)c1ccc(N)c(C(CC(C)C)C)c1
+FC(F)(F)C(F)(F)c1ccc2OC(CF)(CF)C=C(C(=O)OCC)c2c1
+FC(F)(F)C(F)(F)c1n(CCOc2ccc(cc2)CC(C(=O)O)OCC)c3c(cccc3)n1
+FC(F)(F)C(N(C)C1CN(CC1)c2ccc(cc2)[N+]([O-])=O)=O
+FC(F)(F)C(N(C1CCC(CC1)=O)C(C)c2ccccc2)=O
+FC(F)(F)C(N(C1c2c(c(ccc2)-n3c4c(ccc(c4)F)nc3C)CC1)c5cc6OCC(CC(OC)=O)c6cc5)=O
+FC(F)(F)C(N(c1c(C)c(Oc2c(cc(cc2C)C)C)nc(C)c1)CC)=O
+FC(F)(F)C(N(c1ccc(CCC(OCC)=O)c(F)c1)Cc2ccc3c(c2C)N(CCN4CCCCC4)CCC3)=O
+FC(F)(F)C(N1C(=O)c2c(C(=C1)Br)n[nH]c2N)C3CC3
+FC(F)(F)C(N1CCC(CC1)NCc2ccc(cc2)F)=O
+FC(F)(F)C(N=S(C)(CCCn1c(cc2cc(Cl)ccc12)CO[Si](C)(C)C(C)(C)C)=O)=O
+FC(F)(F)C(N=S(C)Cc1cc(nc(c1)OC)Nc2ncc(c(-c3c(OC)cc(cc3)F)c2)F)=O
+FC(F)(F)C(NC(=O)C(N1CCC(C1(C)C)C(Nc2cc(c(F)c(c2)F)Cl)=O)=O)C
+FC(F)(F)C(NC(C(Oc1cc2c(n(-c3ccc(cc3)F)nc2)cc1C)c4ccccc4)C)=O
+FC(F)(F)C(NC(CCC)C(NC1(CC1)C#N)=O)c2ccc(cc2)Br
+FC(F)(F)C(NC1C2N(CCC1)c3c(cc(NS(=O)(=O)c4ccccc4)c(Cl)c3)Oc5ccccc25)=O
+FC(F)(F)C(NCC#CC=1C(NC(=O)N(C2OC(C(OCC=C)C2)CO)C=1)=N)=O
+FC(F)(F)C(NCCNC(c1cccc(c1)OCC(N=[N+]=[N-])OCCOCC(OCC)=O)=O)=O
+FC(F)(F)C(NCCc1cccc(c1)-n2c(N)cc(C(C)(C)C)n2)=O
+FC(F)(F)C(NNc1ncc(nc1Cl)Br)=O
+FC(F)(F)C(Nc1c2c(ccc(c2)C(=O)c3cc(F)cc(c3)F)[nH]n1)=O
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)CN
+FC(F)(F)C(Nc1ccc(cc1)C#CCCCNCC(c2c3c(nc(O)cc3)c(O)cc2)O[Si](C)(C)C(C)(C)C)=O
+FC(F)(F)C(O)(C(Nc1ccc(C(=O)c2ccccc2)s1)=O)C
+FC(F)(F)C(O)(C(OCC)=O)CC(C)(C)c1cc(F)ccc1
+FC(F)(F)C(O)(C=O)CC(C)(C)Cc1cccc(Cl)c1
+FC(F)(F)C(O)(CC(C)(C)c1ccccn1)Cc2cc3ccccc3[nH]2
+FC(F)(F)C(O)(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)CNC(=O)c3c(cccc3Cl)Cl
+FC(F)(F)C(O)(CNc1cc(C)cc2n(ncc12)-c3ccc(cc3)F)CN(CCC)C(=O)c4ccccc4
+FC(F)(F)C(O)c1ccc(cc1)-c2ccc(cc2)C(C(=O)N)C
+FC(F)(F)C(OCC)C1CCC(CC1)Nc2ncnc(c2Cl)CC
+FC(F)(F)C(OCc1ccccc1)(CC(C)(C)c2c(ccc(F)c2)OC)C(OCC)=O
+FC(F)(F)C(Oc1nncc2c1ccc(Nc3c(F)cc(F)cc3)c2)C
+FC(F)(F)C(c1c(-n2ccc(C)n2)cc(cc1)Br)Oc3cc(nc(N)n3)Cl
+FC(F)(F)C(c1c(-n2ccnc2)cccc1)Oc3nc(N)nc(Cl)c3
+FC(F)(F)C(c1c(cccc1)-c2cscc2C)Oc3nc(N)nc(-c4ccc(cc4)CC(C(=O)O)N)c3
+FC(F)(F)C(c1cc(C)c(c(c1)C)N)O
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2c3c(cccc3)c(cc2)CNC(=O)CC(F)(F)F
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)Cl)C=Cc2cc3c(C(CC3)NC(NC)=S)cc2
+FC(F)(F)C(c1cc(ncc1)C(N)=O)OC
+FC(F)(F)C(c1cc2c(cc1F)OCC(=O)N2C)(O)C(c3c(Cl)cc(cc3)-c4cc(c(C(=O)OC)cc4)F)C
+FC(F)(F)C(c1ccc(Br)cc1-c2ccccc2)O
+FC(F)(F)C(c1ccc(cc1)-c2ccncc2)Oc3cc(nc(N)n3)Cl
+FC(F)(F)C(c1ccc(cc1)-n2c(N)cc(n2)C)O
+FC(F)(F)C(c1ccc(cc1)CN)(O)C
+FC(F)(F)C(c1ccc(cc1CCOC2CCCCO2)OC)(O)C
+FC(F)(F)C(c1ccccc1-n2nc(cc2C)C)Oc3nc(N)nc(Cl)c3
+FC(F)(F)C(c1cn(c2c1ccc(Br)c2)CC(=O)OC(C)(C)C)=O
+FC(F)(F)C(c1nnc(N)o1)(O)C
+FC(F)(F)C1(CC(=NO1)c2cc3c(cccc3Cl)s2)c4cc(Cl)cc(Cl)c4
+FC(F)(F)C1(CC(=NO1)c2ccc3c(C(C)(C)OB3O)c2)c4c(c(c(c(c4)Cl)F)Cl)F
+FC(F)(F)C1(CC(=NO1)c2ccnc3c2cccc3C#N)c4cc(Cl)cc(Cl)c4
+FC(F)(F)C1(CC(C)(C)c2ccccc2C(=O)N)CO1
+FC(F)(F)C1(CC(c2ccc(cc2)CNC(NCC(F)(F)F)=O)=NO1)c3cc(Cl)cc(Cl)c3
+FC(F)(F)C1(CC1)C(=O)NCc2cc(F)c(Cl)c(N)c2
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(c(Nc3n(c4ccc(cc4n3)C(Nc5ccc(cc5)Br)=O)CCN(C)C)c2)Cl
+FC(F)(F)C1(CC2CCCc3c(cc4c(n(nc4)-c5ccc(cc5)F)c3)C2(C(=O)NC6CC6)CC1)O
+FC(F)(F)C1(CCC(CC1)(C(OC)=O)NC(Cc2cc(ccc2C)-c3ccc(cc3)Cl)=O)OC
+FC(F)(F)C1(CCC2(CC1)C(=C(C(=O)N2)c3c(ccc(c3)Br)C)O)OC
+FC(F)(F)C1(CCN(CC1)CC=Cc2ccc(cc2)C#Cc3ncc(cc3)-c4ccc(cc4)Cl)O
+FC(F)(F)C1(CNC(c2ccc(cc2)F)=O)NC(=O)Nc3ccc(Br)cc13
+FC(F)(F)C1(O)C(Oc2c(cccc2)C1)Nc3cc(F)cc4nc(C)ncc34
+FC(F)(F)C1(ON=C(C1)c2cc(c(nc2)CN)Cl)c3cc(Cl)cc(Cl)c3
+FC(F)(F)C1(ON=C(C1)c2cccc(c2)N)c3cc(Cl)cc(Cl)c3
+FC(F)(F)C1(c2cc(Cl)c(c(c2)Cl)Cl)CCN(C1)c3ccc(c(C)n3)C#N
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(c4ccccc34)Br
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(cc3)C
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)ON=C(c3c(cc4c(c3)C(C)(C)OB4O)F)C1
+FC(F)(F)C1(c2ccccc2-c3c(cc(cc13)OCC(C)O)-c4cn(C(C)(C)C(N)=O)nc4)O
+FC(F)(F)C1=C(C#N)C(c2ccc3c(c(C)[nH]n3)c2)C(=C(C(F)F)N1)C#N
+FC(F)(F)C1=CC(=O)N(c2c(cc(Br)c3OC(Cc23)C)F)C(N1C)=O
+FC(F)(F)C1=CC(=S)Nc2c(C(=O)OC)cnn12
+FC(F)(F)C1=CC(N(C(N1C)=O)c2c(cc(Cl)c3c(c(oc23)C)C(=NOC)C)F)=O
+FC(F)(F)C1C(=Cc2c(O1)ccc(C#N)c2)C(=O)O
+FC(F)(F)C1C2C(NC(=N)SC2)(CO1)c3ccccc3F
+FC(F)(F)C1CCC(CC1)CN2Cc3c(ncc(C(=O)NCc4ccc(S(=O)(=O)CC)cn4)c3)C2C(C)C
+FC(F)(F)C1CCC(CC1)NC(=O)c2c(OCCF)nc(NC)c(N)c2
+FC(F)(F)C1CCC(CC1)Oc2ccc3cc(CN4CC(C4)C(=O)O)ccc3c2
+FC(F)(F)C1CN(c2c(Cl)cc(c(c2)NC)N)CCC1
+FC(F)(F)C1N(c2ncc(cn2)-c3cccc(NC(C(C)n4cnc5N(C)C(=O)N(C(=O)c45)C)=O)n3)CCC1
+FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4nc(CC(F)(F)F)cn4CCN5CCC5
+FC(F)(F)C=1N(C(=O)N(C(=O)C=1)c2c(NC(c3c(F)cc(cc3)F)=O)c(OC)c(cc2F)Cl)C
+FC(F)(F)C=1N(C(=O)N(C(C=1)=O)c2cc3c(cc2)snc3-c4c(COC)ccs4)C
+FC(F)(F)C=1N(C(=O)N(c2c(O)c(c(Cl)cc2F)I)C(=O)C=1)C
+FC(F)(F)C=1N(C(=O)N(c2c(cc(Cl)c3CCCOc23)F)C(=O)C=1)C
+FC(F)(F)C=1N(C(=O)N(c2cc3c(nsc3cc2)CS(=O)(=O)C)C(C=1)=O)C
+FC(F)(F)C=1N(C(N(C(C=1)=O)c2ccc3snc(Cl)c3c2)=O)C
+FC(F)(F)C=1N(C(N(c2ccc(c(c2)C(=O)OC(C)(C)C(OCC)=O)Cl)C(=O)C=1)=O)CC=C
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2c(cc(c(c2N)[N+](=O)[O-])Cl)F
+FC(F)(F)C=1N(C)C(N(C(=O)C=1)c2cc(C(NNC(=O)OC(C)(C)C)=O)c(Cl)cc2F)=O
+FC(F)(F)C=1N(C)C(N(c2c(cc(N)c(Oc3c(OCc4ccccc4)ccnc3)c2)F)C(=O)C=1)=O
+FC(F)(F)CC(C(=O)N1CCN(CC1)c2nnc(cc2)C(=O)NCCC(C)C)C
+FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3c(OC)cc(C(=O)NS(=O)(=O)c4ccccc4C)cc3)cn(C)c2cc1
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3ccc(C(=O)OCc4ccccc4)cc3OC)c[nH]c2cc1
+FC(F)(F)CC(C=O)C
+FC(F)(F)CC(Nc1nc(Nc2ccc3c(cccn3)c2)c(nc1)C(N)=O)C(N)=O
+FC(F)(F)CCC(C#N)(C#N)Cn1nc(C(F)(F)F)c(Br)c1
+FC(F)(F)CCC(N(Cc1c(cc(C(N)=NO)cc1)F)S(=O)(=O)c2ccc(cc2)Cl)C(N)=O
+FC(F)(F)CCC(N1CC(=CC1=O)Oc2c(cccc2)Cl)C(=O)Nc3ccn(CC(CO)O)n3
+FC(F)(F)CCC(c1cccc(c1)Cl)CI
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)OCCCO
+FC(F)(F)CCCCCCCCCCCCCCCNc1ccc(cc1)C(OCCOCC)=O
+FC(F)(F)CCCOc1ccc(cc1)C(=O)C(F)(F)F
+FC(F)(F)CCCOc1ccc2c(scc2NC(OCC)=O)c1
+FC(F)(F)CCN1CCC(CC1)C(Cl)=O
+FC(F)(F)CCOc1cc(CNCCc2c3cc(ccc3[nH]c2)OC)ccc1
+FC(F)(F)CCS(=O)(=O)CCCN(CCCO)CCCCCCC1=C(CCCc2c1ccc(O)c2)c3ccccc3
+FC(F)(F)CCSCCC(=O)N(c1c(Cl)nn(-c2cccnc2)c1)CC
+FC(F)(F)CCSCCC(=O)Nc1c(Cl)nn(-c2cccnc2)c1
+FC(F)(F)CN1C(Nc2c(cc(cc2)F)C1(CC)c3ccccc3)=O
+FC(F)(F)CN1CCC(CC1)c2ccc(cc2)N
+FC(F)(F)CN1CCN(Cc2c(F)c(ccc2)F)CC(C1=O)N
+FC(F)(F)CN1CCOC(C=C2c3ccccc3CCc4ccccc24)C1
+FC(F)(F)CN=C(N)Nc1nn(CCCCC(=N)OC)cn1
+FC(F)(F)CNC(=N)Nc1nc(ncc1)SCCCC(=O)N
+FC(F)(F)CNC(=Nc1cccc(c1)CCl)N
+FC(F)(F)CNC(=O)C1(c2c(-c3c1cccc3)cccc2)CCCCN4CCN(CC4)c5ccc(cc5)[N+]([O-])=O
+FC(F)(F)CNC(=O)C1(c2ccccc2-c3c1cccc3)CCCCN4CCN(c5ccc6c(n5)cccc6)CC4C
+FC(F)(F)CNC(=O)c1ccc(cc1)C=NO
+FC(F)(F)CNC(=O)c1cnc(OCc2c(noc2C)-c3ccccc3F)cc1
+FC(F)(F)CNC(CNC(=O)c1sc(C2=NOC(C(F)(F)F)(C2)c3cc(Cl)c(c(Cl)c3)F)c4c1CCC4)=O
+FC(F)(F)CNCC1CCNC1
+FC(F)(F)CNc1c(-c2c(cc(cc2F)OCCCN(C)C)F)c(Cl)nc(-n3ccnc3)n1
+FC(F)(F)CNc1c(cc2c(oc(c2C(NC)=O)-c3ccc(cc3)F)n1)-c4ccc(F)c(C(O)=O)c4
+FC(F)(F)COC(=O)c1cc(CCCC)n(Cc2ccc(cc2)-c3ccccc3-c4[nH]nnn4)n1
+FC(F)(F)COC=1C(=O)N(C=C(c2c(OCC3CC3)ccc(S(=O)(=O)CC)c2)C=1)C
+FC(F)(F)COCCOCCOCCOCCOCCOCCOCC(=O)O
+FC(F)(F)COc1c(C(=O)NCc2nc(ccc2)O)cc(O)cc1
+FC(F)(F)COc1c(C2CCCCC2)cc(C(NN(c3nnc(Cl)cc3)C)=O)cn1
+FC(F)(F)COc1c(Cl)ccc(c1)C2=CC(=O)n3c(N2)c(-c4oc(C)cn4)cn3
+FC(F)(F)COc1c(N)c(cc(C2(CCCC2)C(OCC)=O)c1)Cl
+FC(F)(F)COc1c(c(ncc1Cl)C(=O)N)Cl
+FC(F)(F)COc1c(cc(F)c(OC(c2c(C)nc(-c3ccc(cc3)C(F)(F)F)s2)CC)c1)C#N
+FC(F)(F)COc1c(cc(cc1)F)N2CCN(CC2)CCCNC(c3c(noc3C)-c4ccccc4)=O
+FC(F)(F)COc1c(cc(cc1Cl)C2(CCC2)C(=O)O)-c3ccc(cc3)C
+FC(F)(F)COc1c(ncc(n1)C(=O)O)N2CC(F)(F)C2
+FC(F)(F)COc1cc(CC2CSCC(NC(OC(C)(C)C)=O)C2O)cc(c1[N+]([O-])=O)F
+FC(F)(F)COc1cc(c(C(CBr)=NOC)nc1)Cl
+FC(F)(F)COc1cc(c(S(=O)(=O)NC)cc1N)F
+FC(F)(F)COc1cc(ccc1CC(OC)=O)OCC(O)CN(CC)CC
+FC(F)(F)COc1cc(ccc1F)CCNCC2COCC2
+FC(F)(F)COc1cc2c(cc1OC)c(Cl)ncn2
+FC(F)(F)COc1cc2n(C(=O)C=C(N2Cc3ccc(Cl)nc3)C)n1
+FC(F)(F)COc1ccc(cc1)N2C(=S)NC=3C(=O)N(C=CC=3C2=O)Cc4c(OC)cc(cc4)OC
+FC(F)(F)COc1ccc(cc1)N2CCN(CC2)S(=O)(=O)C
+FC(F)(F)COc1ccc(cc1C(=O)OCC)OCc2ccccc2
+FC(F)(F)COc1ccccc1OCCNC(C)Cc2cc(C#N)c3N(C(C)=O)CCc3c2
+FC(F)(F)COc1ccnc(c1C)CSc2n(c3ccccc3n2)C(C)OC(=O)OC4CCCC4
+FC(F)(F)COc1cnc(C(C)NC(Cc2ccc(cc2)-c3c(C4CC4)nccn3)=O)cc1
+FC(F)(F)COc1nc(nc(CCl)c1)N
+FC(F)(F)COc1ncc(C=O)nc1
+FC(F)(F)COc1ncc(cc1-c2ccc(cc2)Cl)NC(=O)c3cc(nn3C)C
+FC(F)(F)CSCC(=O)NC1C2N(C(C(O)=O)=C(COC)CS2)C1=O
+FC(F)(F)Cc1ccc(cc1)N2C(=O)C3(CCN(CC3O)S(=O)(=O)c4c(Cl)cccc4)CC2
+FC(F)(F)Cc1n2c(nc1)c(C#N)c(cc2)Br
+FC(F)(F)Cc1n2c(nn1)C(NC(N3CCC(CC3)c4cc(nnc4O)C)=O)CCC(c5c(F)c(ccc5)F)C2
+FC(F)(F)Cc1nnc2n1-c3c(nc(-c4ccc(cc4)C5(CCC5)NC(=O)OC(C)(C)C)c(-c6ccccc6)c3)OC2
+FC(F)(F)Cc1sc2ncnc(NCC3CCN(CC3)C(=O)OC(C)(C)C)c2c1
+FC(F)(F)Cn1nc(c(c1)-c2ccncc2)-c3ccc(cc3)OCc4nc5c(cccc5)n4CF
+FC(F)(F)Oc1c(C2C(=C(C)Nc3c2c(ncc3)OCC)C(=O)N)ccc(C#N)c1
+FC(F)(F)Oc1c(Cn2cc(nc2)-c3nccc(C#N)c3)cccc1
+FC(F)(F)Oc1c(F)cc(cc1)C(NC(=O)c2nc3NC(Oc3cc2)=O)c4ncccc4F
+FC(F)(F)Oc1c(S(=O)(=O)N)ccc(c1)C(=N)NO
+FC(F)(F)Oc1c(S(=O)(=O)NCC2CCC(CC2)CN)ccc(c1)Br
+FC(F)(F)Oc1c(cc(cc1)Cl)C2=CC(=O)N(C(C)C(=O)Nc3ccc(cc3)C(O)=O)C=C2C#N
+FC(F)(F)Oc1c(cccc1)-c2nc(-c3ccc(c(C)c3)-c4c(csc4)C)on2
+FC(F)(F)Oc1cc(-c2ccc(s2)S(=O)(=O)n3ccc4cc(CCC(O)=O)ccc34)ccc1
+FC(F)(F)Oc1cc(C(C)NC(=O)C=Cc2ccccn2)ccc1
+FC(F)(F)Oc1cc(Oc2nc3N(C)C(N(CC4(CC4)CO)C(=O)c3n2Cc5ccc(cc5)Cl)=O)ccc1
+FC(F)(F)Oc1cc(c(O)cc1)NC(=O)c2c(cncc2)Cl
+FC(F)(F)Oc1cc(cc(-c2n(nc(C(=O)N3CNC(=O)C3)c2)-c4cncc(c4)Cl)c1)Br
+FC(F)(F)Oc1cc(cc(Cl)c1)CC(OCC)=O
+FC(F)(F)Oc1cc(ccc1)C(=O)Nc2c(cc(Cl)c(Oc3c(C#N)c4sc(NC(=O)C5CC5)nc4cc3)c2)F
+FC(F)(F)Oc1cc(ccc1)S(=O)(=O)Nc2ccc(OC)c(C3CCN(CCC)C3)c2
+FC(F)(F)Oc1ccc(-c2ccc(cc2)N3CCOCC3)cc1C(=O)NC(Cc4c[nH]c5c4cccc5)CC#N
+FC(F)(F)Oc1ccc(C2CC(CN(C(=O)N3CC(C3)O)C2)c4nc(OCC)no4)cc1F
+FC(F)(F)Oc1ccc(cc1)-c2cc(CNC(C(=C)N(C)S(=O)(=O)c3ccc(cc3)Cl)=O)ccn2
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C3CCCCC3)n2)Cc4ccc(cc4)C(=O)Nc5[nH]nnn5
+FC(F)(F)Oc1ccc(cc1)-c2cc3ccn(Cc4ccccc4)c3cc2
+FC(F)(F)Oc1ccc(cc1)-c2ccc(cc2)SC(c3ccc(cc3)C(NCCC(=O)OC)=O)CC(C)C
+FC(F)(F)Oc1ccc(cc1)-c2ccc3n(Cc4ccc(cc4)C)c(cc3c2)COC(C)=O
+FC(F)(F)Oc1ccc(cc1)-c2cnc(nc2)-c3ccc(cc3)C=O
+FC(F)(F)Oc1ccc(cc1)-c2n(CC3OCCCC3)c(C)c(C(NN4CCCCC4)=O)n2
+FC(F)(F)Oc1ccc(cc1)-c2nn(C)c(CCOc3c(cc(OC(C)(C)C(OC)=O)c(Cl)c3)Cl)c2
+FC(F)(F)Oc1ccc(cc1)-c2nsc(n2)CO
+FC(F)(F)Oc1ccc(cc1)-n2nc(-c3ccc(cc3)CCCNC(=O)NC(Nc4ccccc4CC)=S)nc2
+FC(F)(F)Oc1ccc(cc1)-n2nc(nc2)-c3ccc(cc3)NC(OC4C(C(OCC)C(C(O4)C)OC)OC)=O
+FC(F)(F)Oc1ccc(cc1)-n2ncc3c2ccc4c3ccc(c4)C=O
+FC(F)(F)Oc1ccc(cc1)C#CCCCOc2cc(C)c(cc2OC)OC(C)(C)C(=O)OC
+FC(F)(F)Oc1ccc(cc1)C(=NO)COC
+FC(F)(F)Oc1ccc(cc1)C(=O)NC(C#N)(Cn2ncc3cc(ccc23)[N+]([O-])=O)C
+FC(F)(F)Oc1ccc(cc1)C2(CC2)N3CCC(CC3)ONC(=O)Nc4ccc(cc4)F
+FC(F)(F)Oc1ccc(cc1)C2=CN3C(=NN(CCc4c(F)cccc4F)C3=O)C=C2
+FC(F)(F)Oc1ccc(cc1)C2N(c3nnc(cc3)C)C(C(=C2C(=O)c4ccc(cc4)N(C)C)O)=O
+FC(F)(F)Oc1ccc(cc1)C=Cc2occ(n2)COc3ccc(CCCCn4ccnn4)nn3
+FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(Oc3cc(cnc3N)C(NC)=O)C2)=O
+FC(F)(F)Oc1ccc(cc1)CCNc2cc(N3CC(CCC3)CC(=O)OCC)nc(n2)OC
+FC(F)(F)Oc1ccc(cc1)CN(CCCCC)CCN
+FC(F)(F)Oc1ccc(cc1)CN2C(CC(C)C2=O)c3ccccc3-c4ccccc4
+FC(F)(F)Oc1ccc(cc1)CN2c3ncc(cc3-c4ncnn4C2=O)CN5CC(C)OC(C)C5
+FC(F)(F)Oc1ccc(cc1)CNCC
+FC(F)(F)Oc1ccc(cc1)Cc2cc(C3(OC(CO)C(C(O)C3O)O)OC)ccc2Cl
+FC(F)(F)Oc1ccc(cc1)N2C(=O)C3(CCN(CC3)C(N4CCCCC4)=O)CC2
+FC(F)(F)Oc1ccc(cc1)N2C(=O)N(C(C)(C)C2=O)Cc3c4cc(O)ccc4ncc3
+FC(F)(F)Oc1ccc(cc1)N2C(C3(CCN(CC3)C=4C(N(CCC)C=CC=4)=O)CC2)=O
+FC(F)(F)Oc1ccc(cc1)N2CCC3(CCN(CC3)c4nc(O)ccc4)C2=O
+FC(F)(F)Oc1ccc(cc1)NC(=O)c2cc(c(nc2)OCCOC)-c3n(C4OCCCC4)ncc3
+FC(F)(F)Oc1ccc(cc1)NC(CC)C(=O)N2c3ncccc3NC(=O)C2
+FC(F)(F)Oc1ccc(cc1)NC(NC2(CCN(CC2)Cc3ccccc3)C#N)=O
+FC(F)(F)Oc1ccc(cc1)NC(NC2CCN(CC2)S(=O)(=O)c3c4cccc(N(C)C)c4ccc3)=O
+FC(F)(F)Oc1ccc(cc1)NC(c2ccc(N3CC(O)CC3)c(c2)-c4cncnc4)=O
+FC(F)(F)Oc1ccc(cc1)NC2=C(c3ccccc3)S(=O)(=O)N(CCCC)C2=O
+FC(F)(F)Oc1ccc(cc1)Nc2cc(N3CCCC3)cc(n2)-c4ccccc4
+FC(F)(F)Oc1ccc(cc1)Nc2nc(nc(n2)N3CCOCC3)NN
+FC(F)(F)Oc1ccc(cc1)OCC(NCc2scc(n2)C(=O)NCCc3cc(Cl)ccc3)=O
+FC(F)(F)Oc1ccc(cc1)Oc2ccc(cc2C(Nc3cc(O)ncc3)=O)F
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCC(=O)CN2c3c(cccc3)CCc4c2cccc4
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C3C4C(CN(C(=O)CC)C4)C3
+FC(F)(F)Oc1ccc(cc1S(=O)(=O)C)N=C=O
+FC(F)(F)Oc1ccc2[nH]c(c(CCCN3CCC(CC3)c4cccc(NC(=O)C(C)C)c4)c2c1)-c5ccc(cc5)Br
+FC(F)(F)Oc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(N)s3)cc2)c1
+FC(F)(F)Oc1cccc(c1)-c2nnc3ccc(nn23)C(O)=O
+FC(F)(F)Oc1cccc(c1)Oc2ccc(Nc3c4c(ncn3)ccn4CCNC(CS(=O)(=O)C)=O)cc2C
+FC(F)(F)Oc1cccc(c1)SC2CCOC(c3ccc(cc3)Cl)C2
+FC(F)(F)Oc1ccccc1-c2cc(c(n2CC3OCCC3)C)C(=O)NC4CCCCC4
+FC(F)(F)Oc1cnc(cc1)-c2ccc(C(O)(C(C)(C)C)c3cncnc3)c(C)c2
+FC(F)(F)S(=O)(=O)N(c1ccccc1CN2CC(C)(C)COC2=S)C(=O)OC
+FC(F)(F)S(=O)(=O)N1CCN(CC1)Cc2cc3c(c(N4CCOCC4)nc(Cl)n3)s2
+FC(F)(F)S(=O)(=O)Nc1c([N+]([O-])=O)ccc(Oc2ccc(nn2)Cl)c1
+FC(F)(F)S(=O)(=O)Nc1cc(OCc2nc3ccccc3cn2)ccc1
+FC(F)(F)S(=O)(=O)Nc1cc(c(C)cc1C)N2C(CC2)=O
+FC(F)(F)S(=O)(=O)Oc1c(ccc(c1)OCc2ccccc2)C=O
+FC(F)(F)S(=O)(=O)Oc1cc(C=O)c(cc1)-c2ccc(OC)c(c2)Cl
+FC(F)(F)S(=O)(=O)Oc1cc(cc(c1F)F)CCC(OCC)=O
+FC(F)(F)S(=O)(=O)Oc1cc2CCCC(N)c2cc1
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)-c3ccc(Cl)cc3CO2
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)N
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1S(=O)(=O)N2CCOCC2)F
+FC(F)(F)S(=O)(=O)Oc1ccc2C=C(c3cc(Cl)ccc3)N(CC(=O)NC(C)C)C(c2c1)=O
+FC(F)(F)Sc1c(cccc1)C#Cc2ccccc2
+FC(F)(F)Sc1cc2c(n(cn2)C)nc1
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(C2=O)Cc3nc(ncc3)Nc4cccnc4
+FC(F)(F)c1[n+]([O-])cc(C(C)NC(=O)OC(C)(C)C)cc1
+FC(F)(F)c1[nH]c2C(NC(=O)N(c2n1)CCCCC)=O
+FC(F)(F)c1[nH]c2c(cc(CNC(=O)c3cnc(nc3)-c4cc(ccc4)OCC)cc2)c1
+FC(F)(F)c1[nH]c2c(cccc2OCCN3CCN(CC3)c4cccc(N=[N+]=[N-])c4[N+]([O-])=O)n1
+FC(F)(F)c1[nH]c2ccc(Nc3nn4c(-c5ccc(cc5)S(=O)(=O)C)ccc4cn3)cc2n1
+FC(F)(F)c1[nH]nc(-c2ccc(cc2)C3CCC(CC3)CC(=O)Nc4[nH]nnn4)c1
+FC(F)(F)c1c(-c2c(C)c(C(O)=O)[nH]c2C)cccc1
+FC(F)(F)c1c(-c2cc3c(cc2)c(nc(C)n3)O)nccc1
+FC(F)(F)c1c(-c2ccnc(c2)C)ncc(CC(Nc3ncc(N4CCN(CC4)C(C)=O)cc3)=O)c1
+FC(F)(F)c1c(-c2nc(C(Nc3ncccc3N4CCC(CC4)(C)N)=O)c(nc2)N)nccc1OC
+FC(F)(F)c1c(Br)c(-c2ccc(cc2)-c3cc(ccc3)S(=O)(=O)C)n(CC(OCSC)=O)n1
+FC(F)(F)c1c(Br)c(ncn1)OCC
+FC(F)(F)c1c(Br)ccc(c1)NCC(O)=O
+FC(F)(F)c1c(Br)nc(c(N)n1)-c2oc(nn2)Cc3ccccc3
+FC(F)(F)c1c(C(=O)C)cnc(Nc2cccc(Cl)c2)n1
+FC(F)(F)c1c(C(=O)N(CC2CCOCC2)C)cnc(Nc3cccc(Cl)c3)n1
+FC(F)(F)c1c(C(=O)NCCC(=O)Nc2ccc(cc2)C3CCC(CC3)CC(O)=O)nc(o1)-c4c(Cl)cccc4Cl
+FC(F)(F)c1c(C(=O)Nc2ccc3CC(C)(C)OB(O)c3c2)ccc(F)c1
+FC(F)(F)c1c(C(C(OCC)C(OC)=O)O)ccc(OCc2ccccc2)c1
+FC(F)(F)c1c(C(C)O)cn(n1)Cc2nc3sc(C)cc3c(O)n2
+FC(F)(F)c1c(C(Cl)=O)sc(C)n1
+FC(F)(F)c1c(C(N2CCN(CC2)c3ncc(s3)C(=O)NC)=O)cccc1
+FC(F)(F)c1c(C(NC(CNC(=O)OC)C(=O)NC)=O)cn(C)n1
+FC(F)(F)c1c(C(Nc2c(-c3cc(F)ccc3F)cccc2)=O)cn(n1)C
+FC(F)(F)c1c(C(Oc2cc(sc2C(N)=O)-n3c4c(cnc(c4)CN5CCN(CC5)C)nc3)C)cccc1
+FC(F)(F)c1c(CBr)c(ccc1C#N)N
+FC(F)(F)c1c(CCC(C)(C#N)N)cccc1
+FC(F)(F)c1c(CCCOc2cc(C)c(c(c2)C)Cl)c3cccc(c3n1CC(=O)O)-c4c(C)nn(C)c4C
+FC(F)(F)c1c(CN(C(=O)C2CC2)Cc3ncccc3)ccc(C=CC(C(F)(F)F)c4cc(Cl)c(c(c4)Cl)Cl)c1
+FC(F)(F)c1c(CN(C2CCN(CC2)c3c4c(c(-c5ccnn5C)nn3)cccc4)C)ccc(F)c1
+FC(F)(F)c1c(CNC(=O)C2CCN(CC2)c3ncnc(Cl)n3)cccc1
+FC(F)(F)c1c(Cl)c(ncn1)-c2c(cc(c(O)c2)Cl)F
+FC(F)(F)c1c(Cl)cc(cc1)C(=O)N(C)c2cnccc2-c3ccccc3C
+FC(F)(F)c1c(Cl)nc(nc1)Nc2ccc(cc2)C(=O)OCc3ccccc3
+FC(F)(F)c1c(Cn2c3c(cc(C=C4SC(N5CCC(CC5)C(=O)O)=NC4=O)cc3)cn2)ccc(c1)F
+FC(F)(F)c1c(Cn2nc(-c3ccc(cc3)F)c4c2ccc(C=C5SC(=O)N(CC(O)=O)C5=O)c4)ccc(Cl)c1
+FC(F)(F)c1c(F)c(Cl)cc(I)c1
+FC(F)(F)c1c(F)c(F)c(c(F)c1F)-n2c(NC(=O)C)c([N+]([O-])=O)cn2
+FC(F)(F)c1c(F)cc2c(c1)N(C(CC2=NO)C)C(=O)OC(C)C
+FC(F)(F)c1c(F)ccc(c1)Oc2c(cc(CSc3nc(O)c(cn3)Cc4cnc(nc4)OC)cc2)C#N
+FC(F)(F)c1c(N)c(Cl)cc(N2CCOCC2)c1
+FC(F)(F)c1c(N)c(cc(C(O)CNCCCCCCOCCc2ncccc2)c1)Cl
+FC(F)(F)c1c(N)ccc(C(=O)C)c1
+FC(F)(F)c1c(N)ncc(c1)-c2nc(N3CC(C3)OC)cc(C4CCN(CC4)C5COC5)c2
+FC(F)(F)c1c(NC(Cc2ccc(cc2)F)=O)c(Br)cc(c1)N3CCOCC3
+FC(F)(F)c1c(NC(Nc2ccc(c(S(=O)(=O)N(C)C)c2O)Cl)=S)cccc1
+FC(F)(F)c1c(NC)nc(nc1)Nc2cnn3CCN(c23)C
+FC(F)(F)c1c(NC2CC2)nc(Nc3cc(c(cc3O)C(N4CCOCC4)=O)F)nc1
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+FC(F)(F)c1cc(ccc1-n2cnc(c2)C)C(Nc3ccc(C)c(c3)NC(c4csc5c4ncnc5NC6CC6)=O)=O
+FC(F)(F)c1cc(ccc1C#N)-n2nnnc2CN3CCN(CC3)S(=O)(=O)CCC
+FC(F)(F)c1cc(ccc1C#N)N2C(=S)N(C3(CCC3)C2=O)c4ccc(cc4)CCCC(=O)N(C)C
+FC(F)(F)c1cc(ccc1C#N)N2C(N(C3(CCC3)C2=O)c4ccc(cc4)C)=S
+FC(F)(F)c1cc(ccc1C#N)Oc2ccc(cc2)-c3nc(cc(n3)C(N)=O)C=C
+FC(F)(F)c1cc(ccc1C(CCCCl)C#N)Cl
+FC(F)(F)c1cc(ccc1CN2CCC(CC2)C=C3SC(N=C3NC(C(=O)N(C)C)CO)=O)C(F)(F)F
+FC(F)(F)c1cc(ccc1N)C(C(OCC)=O)CC(C)C
+FC(F)(F)c1cc(ccc1N2C(=NNC2=O)CC3CCN(C3)C(=O)C4CC4)Br
+FC(F)(F)c1cc(ccc1OCC2CC2)COc3ccc4c(c5c(C(CC(=O)O)CC5)[nH]4)c3
+FC(F)(F)c1cc(ccc1OCCCOS(=O)(=O)C)-c2cc3c(ncn3C4CCCCO4)c(C#N)n2
+FC(F)(F)c1cc(ccn1)N2C3=C(C(c4ccc(cc4C(O)=O)C#N)N(C2=O)C)C(CC3)=O
+FC(F)(F)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3cccc(C(F)(F)F)c3
+FC(F)(F)c1cc(cnc1N2CCN(CC2)C(OCc3ccccc3)=O)NC(C)=O
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3nc(C#Cc4ccc(cc4)OC)cs3)n1)C
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(C=4CC(ON=4)c5cccc(-n6ncnc6)c5)n3)n1)C
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(n3)C#Cc4c5c(ccc4)cccc5)n1)C
+FC(F)(F)c1cc(n(n1)-c2c(cccn2)Cl)C(Nc3c(C(=O)NC)cc4c(nsn4)c3Cl)=O
+FC(F)(F)c1cc(n(n1)C)Oc2cccc(CNC)n2
+FC(F)(F)c1cc(nc(C)c1)N2CCN(CC2)C(C3(C(C)C)CC(CC3)NC4C(COCC4)C)=O
+FC(F)(F)c1cc(nc(c1C(Cl)=O)Cl)Cl
+FC(F)(F)c1cc(nc2n1ncc2-c3nc(no3)-c4ccnc(c4)N)-c5cc(c(C(F)(F)F)cc5)C
+FC(F)(F)c1cc(ncc1)-n2cc(CCCOc3c(cccc3OC)CC(O)=O)c(C(C)C)n2
+FC(F)(F)c1cc(nn1C)Oc2cc(Oc3c(cccc3)OCC(OC)=O)c(cc2)[N+]([O-])=O
+FC(F)(F)c1cc2C=CC(=O)N(CC(=O)Nc3scc(c3-c4ncn(CCCN(C)C)n4)Cl)c2cc1
+FC(F)(F)c1cc2CN(CCc2cc1)C(C3(CC(NC4CCC(CC4)(c5cncs5)O)CC3)C(C)C)=O
+FC(F)(F)c1cc2NC(N(c3cc(CC)c(cc3OC)OC)c2cc1)=O
+FC(F)(F)c1cc2c(CCN(C2)C(C3(CN(CC3)C(c4ccc5c(N(C)C(=O)N5C)c4)C)COC)=O)nc1
+FC(F)(F)c1cc2c(c(N)c1N(C)C)n(CC)c(n2)C
+FC(F)(F)c1cc2c(cc1)nc(-c3cc(on3)C(C)N)[nH]2
+FC(F)(F)c1cc2c(cc1N(C)C)N=C(c3cc(ccc3)-c4nnc(cc4)OC)CC(=O)N2
+FC(F)(F)c1cc2c(ccc(OC)n2n1)C(CC)=O
+FC(F)(F)c1cc2c(scc2)c(c1)Br
+FC(F)(F)c1cc2nc(cn2cc1)-c3c(cccc3)S(=O)(=O)CC
+FC(F)(F)c1cc2ncc(c(OCCCCCOC=3C(=O)C=C(OC=3)CN4CCN(CC4)C)c2cc1)C(=O)OCC
+FC(F)(F)c1cc2scc(N3CCN(CC3)CCC4(CC4)C(=O)NCCCn5ccnc5)c2cc1
+FC(F)(F)c1ccc(-c2c(Cl)cnc(CNC(C3CC(F)CN3)=O)c2)cn1
+FC(F)(F)c1ccc(-c2c(ccc(CC(=O)OC)c2)OC)c(CN(C(=O)C)CC(F)(F)F)c1
+FC(F)(F)c1ccc(-c2c3NC(N(c4ccc(cc4)O)c3ncn2)=O)c(F)c1
+FC(F)(F)c1ccc(-c2cc(C(C)C)c(cc2OC)F)c(CO)c1
+FC(F)(F)c1ccc(-c2cc(nc(-n3cc(-c4cnc(N)cc4)nc3)n2)C)cn1
+FC(F)(F)c1ccc(-c2nc3ccc(nn3c2)N4CCC(CC4)C)cc1NC(C(C)(C)C)=O
+FC(F)(F)c1ccc(C(=O)NC2CCCCC2NC3CCCC3)c(C4CC4)c1
+FC(F)(F)c1ccc(C(NC2CCC2)=O)c(O)n1
+FC(F)(F)c1ccc(C)c(c1)N
+FC(F)(F)c1ccc(C=CC(=O)O)c(c1)OCC
+FC(F)(F)c1ccc(Cc2nnc3cc(-c4ccc(cc4)Cl)c(-c5ccc(cc5Cl)Cl)cn23)cn1
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)CNc3cncc(c3)C)=O
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CC2)COS(=O)(=O)C)=O
+FC(F)(F)c1ccc(Cl)c(c1)C(NC2CCC(CNc3ccccc3)CC2C)=O
+FC(F)(F)c1ccc(Cl)cc1CC2C(=O)c3cc(c(N4CCOCC4)cc3C2)OC
+FC(F)(F)c1ccc(F)c(-c2noc(c2C(O)c3cccnc3)-c4cc(Cl)ccc4)c1
+FC(F)(F)c1ccc(N2CCC(OS(=O)(=O)C)C2)nc1
+FC(F)(F)c1ccc(N2CCCCC2)c(NS(=O)(=O)c3ccc(cc3)C)c1
+FC(F)(F)c1ccc(O)c(C=2CCCCC=2c3cccc(C(=O)OCC)n3)c1
+FC(F)(F)c1ccc(OCCCOc2c(cc(cc2C#Cc3c(Cl)cccc3)OCC=C(Cl)Cl)Cl)nc1
+FC(F)(F)c1ccc(Oc2cc(Sc3ccc(OCC(=O)O)c(C)c3)cc(C#CCN4CCOCC4)c2)nc1
+FC(F)(F)c1ccc(Oc2cccc(CC(O)=O)c2)c(c1)CN(S(=O)(=O)c3ccc(cc3)Cl)C
+FC(F)(F)c1ccc(Sc2ccc(cc2)NC(=O)C)c(Nc3c4c(ncc3)nc(C)cc4)c1
+FC(F)(F)c1ccc(c(C)n1)C(=O)Nc2cc(C=O)c(Cl)cc2
+FC(F)(F)c1ccc(c(Cl)c1)OCC(=O)Nc2cc(Cl)c(OCC(OCC)OCC)cc2
+FC(F)(F)c1ccc(c(Cn2nc(nn2)C)c1)C=CC(O)=O
+FC(F)(F)c1ccc(c(NC(=O)Nc2cccc(C#CC(N)=O)c2)c1)F
+FC(F)(F)c1ccc(c(NC(Nc2ccc(cc2)-c3ccc4c(n[nH]c4n3)N)=O)c1)F
+FC(F)(F)c1ccc(c(O)c1)NC(Nc2ccccc2)=O
+FC(F)(F)c1ccc(c(OC)c1)-c2nc(cc3cc(ccc23)S(=O)(=O)N(Cc4ccc(cc4)OC)c5nccs5)Cl
+FC(F)(F)c1ccc(c(c1)-c2cc(C(NC3CCCCC3O)=O)cnc2OC4CCCC4)Cl
+FC(F)(F)c1ccc(c(c1)CN=[N+]=[N-])OCc2ccccc2
+FC(F)(F)c1ccc(c(c1)NC(=O)Nc2ccc(nc2)N3Cc4c(CC3)c(C(=O)N)[nH]n4)F
+FC(F)(F)c1ccc(cc1)-c2c(C)cc(cc2C)OCC(CC=C)(CC=C)c3ccc(cc3)C(=O)NCCC(O)=O
+FC(F)(F)c1ccc(cc1)-c2c(O)nccc2
+FC(F)(F)c1ccc(cc1)-c2c(ccc(CC(OCC)=O)c2)I
+FC(F)(F)c1ccc(cc1)-c2c(nc([nH]2)NC(c3c(ncc(CNC(=O)C(C)C)c3)C(F)F)=O)C
+FC(F)(F)c1ccc(cc1)-c2c3c(cc(cc3)C#CCCCN4CCC4)sn2
+FC(F)(F)c1ccc(cc1)-c2cc(C(C(=O)OCC)CC(C)C)ccc2OCC
+FC(F)(F)c1ccc(cc1)-c2cc(cc(C(CC(C)C)C(O)=O)c2)C3CN(Cc4cc5c(cccc5)cc4)CCC3
+FC(F)(F)c1ccc(cc1)-c2cc(cc(CNC(CN(S(=O)(=O)c3ccc(cc3)F)C)=O)c2)F
+FC(F)(F)c1ccc(cc1)-c2cc(cc(Cl)n2)CC(=O)OC
+FC(F)(F)c1ccc(cc1)-c2cc(cc(c2)C(CCC)C(OCC)=O)Oc3ccc(cc3)F
+FC(F)(F)c1ccc(cc1)-c2cc(n(C)n2)COc3ccc4ccn(CC(=O)O)c4c3
+FC(F)(F)c1ccc(cc1)-c2cc3c(cc2)N(CC3(C)C)S(=O)(=O)c4ccc(cc4)N(C)CC(=O)O
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C(CCCCCC)O
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)C=Cc3ccc(OCC(OC)=O)c(c3)C
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)CO
+FC(F)(F)c1ccc(cc1)-c2cccc(c2)N(Cc3ccc(OCC(=O)O)c(C)c3)CCCC
+FC(F)(F)c1ccc(cc1)-c2ccccc2C(=O)Nc3ccc(cc3)C=CCN
+FC(F)(F)c1ccc(cc1)-c2ccnc(n2)C=3CCC4(CCN(C4=O)C)N=3
+FC(F)(F)c1ccc(cc1)-c2cnc(N3CCN(CC3)C(OCC(=O)NC)=O)cc2
+FC(F)(F)c1ccc(cc1)-c2cnc3ccc(-c4n(ncc4)-c5ccc(cc5)Cl)cn23
+FC(F)(F)c1ccc(cc1)-c2csc(CCCOc3cc(c(OCC(OC)=O)cc3C4CC4)C)n2
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(C)=NNC(c3ccc(s3)C(N(CC)CC)=O)=O)c2O
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3ccc(cc3)CC(O)=O)ccc2
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(s2)COc3cc(F)c(C=4NC(ON=4)=O)cc3
+FC(F)(F)c1ccc(cc1)-c2nc(CCOS(=O)(=O)C)oc2Br
+FC(F)(F)c1ccc(cc1)-c2nc(CN3CCN(CC3)Cc4ccc(c(OC)c4OC)OC)c(C)n2C
+FC(F)(F)c1ccc(cc1)-c2nc(c(C(=O)O)cc2)Oc3ccccc3Cl
+FC(F)(F)c1ccc(cc1)-c2nc(c(CCOc3ccc(CCC(OCC)=O)c4ccccc34)cc2)C
+FC(F)(F)c1ccc(cc1)-c2nc(c3c(cccc3)n2)C(N4CCc5c(O)c(ccc5C4)OC)=O
+FC(F)(F)c1ccc(cc1)-c2nc(n(-c3ccc(cc3)NCC(=O)OC)c2)Cc4ccc(cc4)Br
+FC(F)(F)c1ccc(cc1)-c2nc(nc(c2)C)-n3cc(nc3)-c4cccnc4
+FC(F)(F)c1ccc(cc1)-c2ncc(C(=O)NCc3cccc(c3)OC(C)(C)C(OCC)=O)c(C4CC4)n2
+FC(F)(F)c1ccc(cc1)-c2ncnc(Oc3c4c(sc(NC(Cc5ccccc5)=O)n4)ccc3)c2
+FC(F)(F)c1ccc(cc1)-c2nn(c(COc3cc4c(ccn4CC(=O)O)cc3)c2C)C
+FC(F)(F)c1ccc(cc1)-c2nnc(N3CCN(C(C)C3)C(N4CCC(CC4)(F)F)=O)c5c2ccnc5
+FC(F)(F)c1ccc(cc1)-c2noc(CO)c2
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(c3)OCCCCN4CCCCC4
+FC(F)(F)c1ccc(cc1)-c2oc(C(COc3cc(c(CC(O)=O)cc3)C)C)c(C(C)C)n2
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)CCOc3c4c(cccc4)c(C=O)cc3)C
+FC(F)(F)c1ccc(cc1)-c2sc(CCCc3cc(C)c(OCC(=O)OCC)cc3)c(C)n2
+FC(F)(F)c1ccc(cc1)-c2sc(CNc3ccc(cc3)C4CC4C(N(C)C)=O)c(C)n2
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(C(NO)=N)c(F)c3)c(CCCOCc4ccccc4)n2
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(c(OC)c3)C=4NOC(=O)N=4)c(n2)CCCN5CCC5
+FC(F)(F)c1ccc(cc1)-c2sc(c(C)n2)CCOc3ccc4c(n(cc4CCC)CC(O)=O)c3
+FC(F)(F)c1ccc(cc1)-c2sc3c(CCN(C3)S(=O)(=O)c4cc(ccc4C)CC(=O)O)n2
+FC(F)(F)c1ccc(cc1)C#Cc2ccc(cc2)OC3OCCCC3
+FC(F)(F)c1ccc(cc1)C(=O)Nc2ccc(cc2)Cc3c(n(c4ccccc34)CC(=O)O)C
+FC(F)(F)c1ccc(cc1)C(=O)c2c(C(C)C)cc3c(c2C4=CCCCC4)C(O)CC(C)(C)O3
+FC(F)(F)c1ccc(cc1)C23CN(CCCN4C=C(C(=O)NC4=O)c5c(F)nc(C)cc5)CC2C3
+FC(F)(F)c1ccc(cc1)C2c3ccc(F)cc3CCN2C(=O)Nc4ccc(cc4)F
+FC(F)(F)c1ccc(cc1)C=C(c2ccc(cc2)OCCCCCCCCOC(C(C)=C)=O)C#N
+FC(F)(F)c1ccc(cc1)C=Cc2nc(COc3ccc(cc3)CCCCn4c(ncc4)CC(O)CO)co2
+FC(F)(F)c1ccc(cc1)C=Cc2occ(n2)C(N(c3ccc(cc3)CCCCn4ccnn4)C)=O
+FC(F)(F)c1ccc(cc1)CCC2CCC(CC2)C3CCC(CC3)CCCF
+FC(F)(F)c1ccc(cc1)CCC2NCCn3cnc(C)c23
+FC(F)(F)c1ccc(cc1)CCC2OCC(CO2)CCC
+FC(F)(F)c1ccc(cc1)CCN(C(=O)Cc2ccccc2OC)c3ccc(OC)c(F)c3
+FC(F)(F)c1ccc(cc1)CN(C)c2cc(C)c(c(C)c2)NC(CC3CCCC3)=O
+FC(F)(F)c1ccc(cc1)CN2C(=O)C(CC2)N3CCC(C(F)(F)C3)c4ccc(cc4)O
+FC(F)(F)c1ccc(cc1)CN2CCC(CC2)Nc3ccc(C#N)nn3
+FC(F)(F)c1ccc(cc1)CN2CCC3(CC2)CN(CC3)C(c4ccc(cc4)-c5oc6c(C(C)C)cc(C#N)cc6n5)=O
+FC(F)(F)c1ccc(cc1)CNC(=O)N2CC(c3cc(OC(C)(C)C(=O)O)ccc3)CCC2
+FC(F)(F)c1ccc(cc1)CNC(=O)Nc2cccc3NCC(O)Cc23
+FC(F)(F)c1ccc(cc1)CNC(=O)c2cc3c(cc(cc3)OC)nc2-c4ccsc4
+FC(F)(F)c1ccc(cc1)CNC(c2c(ccc(CC(O)=O)c2)OC)=O
+FC(F)(F)c1ccc(cc1)CNC(c2cc(C(=O)C)ccc2OC)=O
+FC(F)(F)c1ccc(cc1)CNCc2cc(ccc2Br)OC
+FC(F)(F)c1ccc(cc1)CNc2[nH]c(Nc3cc(Cl)c(c(Cl)c3)C#N)nn2
+FC(F)(F)c1ccc(cc1)CNc2nc(c(c(N)n2)NC(CC3CCCC3)=O)C
+FC(F)(F)c1ccc(cc1)CON=C(C)c2cnc(cc2)OCC(=O)O
+FC(F)(F)c1ccc(cc1)CON=C(CC)c2ccc(cc2)OCC(NCC3CCOCC3)=O
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(OCC(NCC(O)=O)=O)cc3)C
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCc3nnc(C)o3)C
+FC(F)(F)c1ccc(cc1)COc2c(cc(cc2)OC)C=CCCC(C(=O)O)Oc3c(cccc3)OC
+FC(F)(F)c1ccc(cc1)COc2cnc(nc2)N3CCN(CC3)c4c5c(ncn4)cc(OC)c(c5)OC
+FC(F)(F)c1ccc(cc1)Cn2c3ccccc3c4CCN(Cc24)C(=O)OCc5ccccc5
+FC(F)(F)c1ccc(cc1)Cn2cc(-c3sc(C(NCc4cnccc4)=O)c(n3)C)nn2
+FC(F)(F)c1ccc(cc1)Cn2cc(cn2)Nc3cc(F)c(cc3)S(=O)(=O)Nc4nccs4
+FC(F)(F)c1ccc(cc1)N(C(=O)c2ccc(c(c2)C)CNC(=O)C3CCN(CC3)CCC(C)(C)C)C
+FC(F)(F)c1ccc(cc1)N2C(=O)NC3(CCCCC3)C2
+FC(F)(F)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)COCC(O)=O
+FC(F)(F)c1ccc(cc1)NC(COCCc2ccccc2)C(C)C
+FC(F)(F)c1ccc(cc1)NC(N2CCCC2c3c(Cc4ccc(cc4)Cl)c(C)no3)=O
+FC(F)(F)c1ccc(cc1)NC2c3c(cc(NC(=O)CCC4CCCC4)c(c3)N)CC2
+FC(F)(F)c1ccc(cc1)NS(=O)(=O)c2cccc(C(=O)N3CCN4CCCCC4C3)c2
+FC(F)(F)c1ccc(cc1)Nc2c3c(ncn2)n(-c4ccccc4Cl)cn3
+FC(F)(F)c1ccc(cc1)Nc2cc(C)cc(n2)Cl
+FC(F)(F)c1ccc(cc1)Nc2nc(CCc3cc4c([nH]nc4)cc3)ncn2
+FC(F)(F)c1ccc(cc1)Nc2nc(cc(N)n2)-n3c4c(ccc(F)c4)nc3C
+FC(F)(F)c1ccc(cc1)Nc2ncnc3c2nc(Nc4c(cccc4Cl)Cl)[nH]3
+FC(F)(F)c1ccc(cc1)OC(c2ccccc2)CN3CCN(CC3)C
+FC(F)(F)c1ccc(cc1)OCC2CNC(CC2)C
+FC(F)(F)c1ccc(cc1)OCc2n(nc(C)c2I)C
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3ncc(-c4ncccc4)cc3
+FC(F)(F)c1ccc(cc1)Sc2nc3c(ncnc3n2CCCC)N
+FC(F)(F)c1ccc(cc1C(N2CCN(CC2)c3ccc4nc(C(=O)NCCC(C)C)cn4n3)=O)F
+FC(F)(F)c1ccc(cc1C)C#N
+FC(F)(F)c1ccc(cc1F)C2CN(C(=O)N3CCSCC3)CC(c4nc(OCC)no4)C2
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c3C=CN(C(C)CNC)C(=O)c3ccc2C
+FC(F)(F)c1ccc(cn1)-c2nc3n(ccc3c(O)n2)C
+FC(F)(F)c1ccc(cn1)CCn2c3c(CN(CC3)C)c4c2ccc(CC)c4
+FC(F)(F)c1ccc(cn1)CN2C(=O)N3C(C(c4ccc(cc4)Cl)=C(c5ccc(cc5)C)C=C3)=N2
+FC(F)(F)c1ccc(cn1)COC2=CC(=O)N(C=C2)c3ccc4c(c3)n(c5c4CCN(C5)C(=O)OC(C)(C)C)C
+FC(F)(F)c1ccc(cn1)Nc2ccc(-c3cc4CCC(CC(=O)OCC)(C(c4cc3)=O)C)nc2
+FC(F)(F)c1ccc(cn1)Nc2ncc(-c3ccc(cc3)C4CCN(CC4)C(=O)C(=O)O)cc2
+FC(F)(F)c1ccc(nc1)N2CCN(Cc3c[nH]nc3-c4ccc5c(C(NC(=O)O5)=O)c4)CCC2
+FC(F)(F)c1ccc(nc1)Oc2ccc(cc2)OC(C)C=NO
+FC(F)(F)c1ccc2CCC(N3C(CN(C4(CCNCC4)C)CC3)C)c2c1
+FC(F)(F)c1ccc2S(=O)(=O)Nc3c4c(cccn4)c(cc3-c2c1)F
+FC(F)(F)c1ccc2c(C(CC(N2)CC)Nc3ncc(cn3)OCCCCC(=O)OC(C)(C)C)c1
+FC(F)(F)c1ccc2c(C(N)CC(CC)N2C(=O)C3CCC(CC3)CC(=O)OCC)c1
+FC(F)(F)c1ccc2c(NC(=O)C(=O)N2C3CCCCC3)c1
+FC(F)(F)c1ccc2c(c(cnc2c1)CCl)O
+FC(F)(F)c1ccc2c(c1)cc(C(=O)OC)[nH]2
+FC(F)(F)c1ccc2c(c1)n(cc2)C(C)(C)C(=O)N3CCN(c4ccc(cc4)S(=O)(=O)Nc5sccn5)C(=O)C3
+FC(F)(F)c1ccc2c(ccnc2c1)Nc3ccc(cc3)S(=O)(=O)N4CCN(CC4)c5cc(CCC)cc(CCC)c5
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+Fc1cc(CBr)c(F)cc1Cl
+Fc1cc(OCCSc2nc3nc(C)cc(C)n3n2)ccc1Cl
+Fc1cc(c(C)cc1F)C(=O)Nc2[nH]nc(C(NCc3oc(nc3C(=O)OCC)C)=O)c2
+Fc1cc(cc(F)c1)-c2ccc3c(c2)C4(NC(=N)C(C)=N4)C5(CC5)CC3
+Fc1cc(cc(F)c1)CC(N)C(C2N(Cc3ccc(cc3)OC)Cc4c(cccc4)C2)O
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+Fc1cc(cc(F)c1C#N)O
+Fc1cc(cc(F)c1C2CO2)S(=O)(=O)N(c3c(cc(C)cc3)C)CC(C)C
+Fc1cc(cc(F)c1F)-c2cc3CCc4c(ccc(CCC)c4)-c3cc2
+Fc1cc(cc(F)c1Oc2cc(ncc2)Cl)N
+Fc1ccc(NC(Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(OC)c4)OC)=O)c(C)c1
+Fc1cccc(F)c1-c2cccc(-c3cc4c(nccc4O)cc3)n2
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+Fc1cccc(F)c1C(Nc2ccn(Cc3ccc(cc3Cl)OCCCCCCCO)n2)=O
+Fc1cccc(F)c1CCCO
+Fc1cccc(F)c1COc2c3n(c(C(=O)NC4(CC4)c5ccc(c(c5)F)F)c(C)n3)cc(n2)C
+Fc1cccc(F)c1COc2cc(cn3c(C(OCC)=O)c(C)nc23)F
+Fc1cccc(F)c1COc2cccn3c2nc(C)c3C(=O)NCC(CC(C)C)(N)C
+Fc1cccc(F)c1N2C(=O)C=Cc3c2nc(nc3-c4c(C)ccc(C(=O)Nc5sccn5)c4)NCCCNC(C)C
+Fc1cccc(F)c1NS(=O)(=O)c2nn3c(n2)c(ccc3OC)OC
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+Fc1ccccc1CC=O
+Fc1cnc2ccccc2c1I
+ICC(COCCCCCCCC)OCCCCCCCC
+Ic1c(C=Cc2c(I)cc(cc2)Br)ccc(Br)c1
+Ic1c(NC(Nc2c(cc(cc2)N=[N+]=[N-])O)=O)cccc1
+Ic1cc(F)c(Cl)c2CNC(c12)=O
+Ic1cc(cc(I)c1OCCN(CC)CC)C(=O)c2c(CCC(=O)OC(CC)C)oc3c2cccc3
+Ic1n(C)c2CCNC(c2c1)=O
+N#CC(C#N)=C(C)c1cc2ccc(cc2cc1)N(CCOCCF)C
+N#CC(C#N)=C(NCCSCc1c(C)nc[nH]1)NCCSCc2sc(nn2)N
+N#CC(C#N)=C1C(=C(c2ccc(cc2)-c3cn(nn3)CCCCCCCC)C(C)(C)O1)C#N
+N#CC1CN(c2ncnc3cc(Cl)c(cc23)C#N)CCN1C(C=C)=O
+N#CCc1c(C)nccc1
+N#Cc1[nH]cc(c1)C(=O)OC
+N#Cc1c(NC)cccc1
+N#Cc1c(c(F)ccc1)-c2cc(ccc2F)-c3cc(-c4c(cc(cn4)F)F)nnc3
+N#Cc1c(c2c(sc(C#Cc3cccnc3)c2)nc1)Nc4cc(c(Cl)cc4Cl)OC
+N#Cc1c(cc2c(C(=NC3=C(C)NNC3=N2)c4c(cccc4)Cl)c1)OCCOCCOC
+N#Cc1cc(nc(n1)-c2ccccc2OCCC)O
+N#Cc1cc2c(CCCC2)c(c1OC)I
+N#Cc1ccc(Oc2ccc3B(O)OCc3c2)cc1C(=O)O
+N#Cc1ccc(SC)c(C#N)c1C
+N#Cc1ccc2C(=O)c3c(ccc(Br)c3)-c2n1
+N#Cc1ccccc1Oc2cc(c(C)cc2O)-c3cccs3
+N(=C=S)c1c(c(ccc1Cl)OC)Cl
+N(=[N+]=[N-])CC1CCOC1
+N(=[N+]=[N-])CC1OC(N2C=C(I)C(N)=NC2=O)CC1O
+N(=[N+]=[N-])CCC1n2c(cc(I)c2)C(NC1)=O
+N(=[N+]=[N-])Cc1cc2c(c(Cl)ccc2)nc1-c3c(cccc3)F
+N(C(=O)c1ccccc1O)C(C)C(N)C
+N(C(C)=O)C1C(=O)NC(C(NC(CC(C)CCCCCCC1)C(O)CC(C)C(NCCCC)=O)=O)C
+N(C(N)=O)Cc1cccc2c1C(N(C3C(=O)NC(CC3)=O)C2=O)=O
+N(C(NC1C(CN(C)C2CCc3c(C2)ccc(F)c3)CCCC1)=O)c4cc(-c5n(C)nnn5)cc(c4)CC
+N(C)C(CC1N(C(=O)c2cc3NC(=O)COc3cc2)c4ccc(cc4OC1)Br)=O
+N(C)CC(NCCc1cc2c(OCO2)cc1)=O
+N(C)CC1CNC(c2cccc3[nH]cc1c23)=O
+N(C)CCCc1cc2c(ccc(C(=O)Nc3ccc(OC)c(c3)OC)c2)[nH]1
+N(C)c1cc(Cl)c(F)cc1
+N(C=O)c1sc(c(C(C(=O)NC2C(=O)N3C(=C(CSc4scnn4)CSC23)C(=O)O)=NOC)n1)C
+N(CCCCC)c1c(c(C)c(F)c2OC(c3cc(c(cc3)N(CCC)C(=O)C)F)=CC(c12)=O)F
+N(CCOCCOCCOCCNC(=O)CBr)C(CCCCC(=O)O)=O
+N(Cc1cnc(cc1)C)C(c2nnn(CC(CCc3cc4c(nn3)[nH]c(-c5c(cccc5)F)c4)F)c2)=O
+N(Cc1ncccc1)Cc2cccc3c2nc(o3)-c4cc(OC)ccc4O
+N(O)=C(CNC(C)=O)c1cccc2ccc(OC)cc12
+N(c1c(C(N)=O)ncc(NC(C)C(N)=O)n1)c2cc3c(nc2)cccc3
+N(c1cc(CCOc2ccc(c3ccccc23)N)ccn1)C(C)=O
+N(c1cc([nH]n1)-c2cc(ccc2)OC)C=C3c4ccccc4NC3=O
+N(c1cc2c(C=3CCC(CC=3)NC)c[nH]c2cc1)C(c4sccc4)=N
+N(c1cc2c(cc1)SCCN2CCNC)C(c3sccc3)=N
+N(c1ccc(C)c(c1)C(=O)c2ccc(Nc3c(F)cc(F)cc3)cc2Cl)C(=O)OCC
+N(c1ncc2cc(c(OC)cc2n1)Br)C(C)=O
+N1(C(=O)C)c2cc(C)c(Br)c(c2C(CCC(OCC)=O)C1)C
+N1(C(=O)N(C)Cc2c(Br)cccc12)Cc3cccc(F)c3
+N1(C(=O)N(c2ccc(C)cc12)Cc3c4c(C)cccc4n(c3)C)C(CCC)CC(OCC)=O
+N1(C(C=C(C)C1=O)=O)c2cc(N3C(C(OC)=CC3=O)=O)cc(N)c2
+N1(C2(CC(C)(N(C(CC)(C2C)C)C)CC)C(N(C)C1=O)=O)C
+N1(C2CCCC1CNCC2)C(=O)CC
+N1(CC(F)CC1C(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(=O)Cn4c5c(c(C(N)=O)n4)CCCC5
+N1(CCCC1=O)CCCn2c(CCOC)nc3c(N)nc4ccc(cc4c23)CCN
+N1(CCCC1=O)CCn2ncc(N)c2
+N1(CCCC1=O)c2cccnc2N
+N1(CCCC1CNC(=O)c2c(OC)c(Br)cc(c2OC)Cl)CC
+N1(CCOC1=O)Cc2cc(ccc2Cl)Br
+N1(Cc2cc(C(OCC)=O)sc2CC1)C(OCC)=O
+N1(c2c(Cl)cccc2)c3cc(OC)cc(-c4ccccc4Cl)c3CCC1=O
+N1(c2cc(cc(c2)-n3nnnc3)C(=O)O)C(C=C(C=C1)C)=O
+N1(c2ccc([N+]([O-])=O)cc2OCC1)C
+N1(c2ncc(CCOc3cccc4ncccc34)cc2C(Nc5c1nc(cc5C)Cl)=O)CC
+N1(c2ncc(cc2C(=O)Nc3cccnc13)Br)CC
+N12C(CNCc3c1c(ccc3)C(CF)CC2)C
+N12C(COc3c(NCCCn4ccnc4)c(c(N)c(c13)C(=O)C(=C2)c5nnn[nH]5)F)C
+N12CCCc3cc(cc(CC1)c23)Br
+N1=NN(c2c(Cl)ccc(C(Cl)=O)c2Cl)C(=O)N1C
+N1=NN(c2c(c([N+]([O-])=O)ccc2)CBr)C(=O)N1C
+N1=NN(c2cccc(I)c2CBr)C(=O)N1C
+N1C(=O)C(CCCC1)Nc2cc(c(cc2)C(=O)N)Nc3cc(C)ns3
+N1C(=O)NC(=O)C12CC(C(=O)O)CC2
+N1C(C(c2c3c4n(c2)CCc4ccc3)=C(C1=O)c5c[nH]c6ccccc56)=O
+N1CC(CN=[N+]=[N-])c2c1cccc2
+N1CC(CNS1(=O)=O)c2ccc(NC(=O)c3nc(c[nH]3)C#N)c(C4=CCCCC4)c2
+N1Cc2c3c(n(C)c2CC1)c(C)ccc3F
+N1c2c(C(=O)O)c(F)ccc2OC1=O
+N1c2cc(-c3cc(ccc3F)F)ccc2N=C(c4cc(ccc4)C#N)CC1=O
+N1c2cc(ccc2CCN(C)CC1=O)F
+N=1C(=CC(=O)N(C=1N)C)CCc2cccc(-c3cccs3)c2
+N=C(Nc1cccc(c1)O)N
+NC(=O)c1c(NCc2cnn(C)c2)nc(Nc3cccc(c3)NC(C)=O)nc1
+NC(=O)c1c(c2ccc(-c3c(C)nn(C)c3C)cc2nc1)Nc4cccc(C(=O)O)c4
+NC(=O)c1c(ccc(F)c1N)F
+NC(=O)c1cc-2c(nc1O)CCc3ccccc-23
+NC(=S)c1cc2c([nH]1)c(cc(c2)Oc3cnc(cc3)COC)OC
+NC(C(OC)=O)CNC(C)=O
+NC(C(c1c(cccc1)C#C)CC)=O
+NC(N)=NC(Cn1c(ccc1-c2ccccc2)C3CCC(CC3)CCC)=O
+NC1(C(OC(C)=O)CCC1)CNc2ccc(C#N)c(Cl)c2C
+NC1=C(N)C(N(C(=O)N1)C)=O
+NC1=C(N)C(NC(=O)N1)=O
+NC1CCN(c2c3c(nc(N)n2)CCC3)C1
+NCC(C(Oc1c2nc(-c3n4ccccc4nn3)ccc2ccc1)CC)CC
+NCC1Cc2c(cccc2)C(N1)=O
+NCc1c2c(ccc1)cccn2
+NNC(=O)c1c(C)nc(-c2cccnc2)[nH]1
+Nc1c(Br)c2c(ccc(Cl)c2F)nc1
+Nc1c(C#N)cnn1CCCl
+Nc1c(C#N)ncc(C)c1
+Nc1c(C(=O)O)ncc(C#N)c1
+Nc1c(C)c(c(cc1)C#N)F
+Nc1c(C)ccc2nc(C)ccc12
+Nc1c(Cl)cc(cc1)CO
+Nc1c(Cl)ccc(O)c1C
+Nc1c(F)cc(C(C)O)c(c1Br)F
+Nc1c(N)nc2ccc(cc2c1)OC
+Nc1c(N2N=NN(CCCF)C2=O)c(cc(Cl)c1OCC#C)F
+Nc1c(NC(C)=O)c(Br)c(c(c1)C(=O)O)O
+Nc1c([N+]([O-])=O)cc(-c2ccc(c(NC)c2)[N+]([O-])=O)cc1
+Nc1c(c(O)c(cc1)C(=O)C)C
+Nc1c(cc(cc1[N+]([O-])=O)F)C(=O)O
+Nc1c(nc(NC)nc1)N
+Nc1c(nc2c(cccc2C)c1)N
+Nc1c2c(CCCN2C)c(cc1C(NC3CCCCC3O)=O)Br
+Nc1c2c(ccc(OCC)c2)ccc1
+Nc1c2cc(ccc2ccc1)C(=O)N
+Nc1c2cccnc2c(cc1)C#N
+Nc1c2nc(ccc2c3ccccc3n1)C
+Nc1c2ncccc2sc1C(=O)OC
+Nc1cc(-c2ocnc2)nc(C(=O)OC)c1Cl
+Nc1cc(C(C)Nc2cccc(Br)n2)ccc1
+Nc1cc(C)c(CCC(OC)=O)cc1-c2cc3cnn(C)c3cc2
+Nc1cc(C)c(cc1)-c2cnco2
+Nc1cc(C)cc(c1F)Br
+Nc1cc(Cl)nc(C)[n+]1[O-]
+Nc1cc(F)c(C)c2N(C=C(C(c12)=O)C(=O)O)C3CC3F
+Nc1cc(OC)c(cc1F)C(=O)O
+Nc1cc(OCCOC)c(cc1Cl)C(=O)O
+Nc1cc([N+]([O-])=O)cc2CCOc12
+Nc1cc(c2c(CCC(=O)N2)c1)OC
+Nc1cc(cc(C(=O)OC)c1C)Br
+Nc1cc(cc(CC)c1)Br
+Nc1cc(cc(N)c1)C(=O)OCCCCCCCCOC(=O)C(=C)C
+Nc1cc2CN(C(c2cc1)=O)C
+Nc1cc2CN(C(c2cc1Cl)=O)C
+Nc1cc2c(nc(o2)C)c(Br)c1
+Nc1cc2c(nc(o2)C)c(c1)O
+Nc1ccc(C)cc1C#N
+Nc1ccc(N2CC(NC(C)=O)CC2)cc1-n3ccnc3
+Nc1ccc(c(CC)c1F)Cl
+Nc1ccc2CC3(c4ccccc4NC3=O)Cc2c1
+Nc1ccc2c(C(CCNC(C)=O)CC2)c1OC
+Nc1ccc2c(C(Nc3c(cccc3)S2)=S)c1
+Nc1cccc2CCCN(C)c12
+Nc1cncc(F)c1I
+Nc1cncc(c1N)-c2cncc(c2)F
+Nc1n[nH]c2c1cc(C#N)cn2
+Nc1nc(CC(NC2C(=O)N3C(C(=O)O)=C(CSC23)COC(=O)N)=O)cs1
+Nc1nc(nc(N)c1N)-n2nc(c3ccccc23)Oc4ccccc4F
+Nc1nc(nc(N)n1)NC2CC2
+Nc1nccc(c1)C(Oc2ccc(c3c2cccc3)N)C
+Nc1ncn(CCCN)c1
+Nc1nnc2ccccc2n1
+Nc1sc2C(C(CCCc2n1)Br)=O
+Nc1sc2CNCCc2n1
+O(C(=O)CCc1c(cc(OCCC(Oc2c(cc(cc2)CC)Oc3c(cccc3)C)C)cc1)CC)CC
+O(C(C)=O)CCOc1cc(c(N)cc1)OC
+O(C(Nc1cccc(NC(C=C(OC)C)=O)c1)=O)CCC
+O(C(c1ccc(Cn2c(CCCC)nc(Br)c2C=NO)c(F)c1F)=O)C
+O(C)C(=O)c1ccc(c(c1N)OC)OC
+O(C)C(Cc1cc(c(Cl)cc1Cl)OC)=O
+O(C)C(OC)(CC(=O)Nc1cccc(OCc2ccccc2)c1)C
+O(C)C(OC)C1(Oc2c(c(C)c(c(c2C)C)OCc3ccccc3)CC1)C
+O(C)C(OC)CN=C1c2ccccc2Nc3cc(Cl)ccc3N1
+O(C)C(c1sc(cc1)C#CCBr)=O
+O(C)CCCCOc1cc(CSc2nc3ccccc3[nH]2)ncc1
+O(C)CCOc1cccc(CBr)c1
+O(C)P(OC)(=O)Cc1c(CBr)nc2c(cc(cc2)Cl)c1
+O(C)c1c(CCl)cnc(C)c1Cl
+O(C)c1c(F)c(c(F)c(OC)c1)-c2c3c(nccn3)c(C(=O)Nc4[nH]c(CN(CC)CC)cn4)cc2
+O(C)c1c(N)c(F)cc(Cl)c1[N+](=O)[O-]
+O(C)c1c(N)cc(Br)nc1C(=O)O
+O(C)c1c(OC)ccc(-c2nn3c(-c4ccc(C#N)nc4)cnc3s2)c1
+O(C)c1cc(CCNC(C)=O)c2c(ccc(OC)c2)n1
+O(C)c1cc(F)c(cc1I)-c2c(C)cccc2
+O(C)c1cc(cc(OC)c1)Nc2nc(Nc3ccccc3S(=O)(=O)C)c(cn2)C(=O)N
+O(C)c1cc(cc(OC)c1OC)-c2nccc(CN)c2
+O(C)c1cc(cc(OC)c1OC)C(=O)N(CCC2CCCN2C)CC(=Cc3ccccc3)C
+O(C)c1cc(cc(OC)c1OC)CC(=O)O
+O(C)c1cc(cc(OC)c1OC)CCCBr
+O(C)c1cc(cc(OC)c1OC)NC(=O)Cc2cc(NC(=O)c3c(-c4c(cccc4F)F)noc3C)ccc2
+O(C)c1cc2N=C(N(C(=O)c2cc1OC)c3ccccc3Cl)CSc4ncnc5[nH]cnc45
+O(C)c1ccccc1Nc2cccc3C(=O)N(C4C(=O)NC(CC4)=O)C(c23)=O
+O(CC(O)CCCCCCCCCCCCCCC)CC(COC1OCCCC1)OC
+O(CC)C(=O)N1CC(N(CC1C)CC=C)C
+O(CC)C(C(C#N)C(C(c1cccnc1F)=O)C)=O
+O(CC)C(C=C(c1ccc(N)cc1F)C)=O
+O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCNCc1ccccc1
+O(CC)P(OCC)(=O)Cc1c(cc(c(C)c1)C=O)C
+O(CC)P(OCC)(=O)NC1C(Cl)CCN(c2ccncc2N)C1
+O(CC)P(OCC)(CCOCCN)=O
+O(CC)P(OCC)(Cc1ccc(cc1)Cn2c(Br)nc3c(N)nc(nc23)OCCOC)=O
+O(CC)P(OCC)(c1c(scc1)-c2c(P(OCC)(OCC)=O)ccs2)=O
+O(CC)c1c(c(ccc1)F)C2CC(C(=O)N2Cc3cccc(-c4nc(Cl)cs4)c3)C
+O(CC)c1cc(-c2cscc2)cc(OCCCCCCc3cccc(c3CCC(OCC)=O)OCCCC(=O)OCC)c1
+O(CC)c1cc2nnc(N)n2nc1OCC
+O(CC=C)P(OCC=C)(=O)OCc1c(cccc1C)CO
+O(CC=C)P(OCC=C)(=O)OCc1c(cccc1Cl)C(Cl)=O
+O(CCCCO)c1cccc(OCCCCC)c1
+O(CCOCCc1cccc2ccccc12)CCC#N
+O(CCSC(=O)C)Cn1c2ncccc2nc1
+O(CCn1c(nc2c3n(nnn3)c4c(c12)cccc4)C)CCCc5cccnc5
+O(COC)Cc1c(cc(c(c1OC)OC)OC)[N+](=O)[O-]
+O(Cc1cc(N)ccc1Cl)c2cccnc2
+O(Cc1ccc(cn1)F)c2cc(F)c(cc2)C=C[N+]([O-])=O
+O(Cc1cccc(C)n1)c2cc(C(CCN)O)ccc2
+O(Cc1cccc([N+]([O-])=O)c1)c2cc(c(cc2)C(=O)C)OC
+O(Cc1sc(N)nn1)c2ccc(OC)c(OC)c2
+O(Cn1c(C(=O)C)nc(CO)c1)CC
+O(c1c(C(=O)c2c(ccc(Br)c2Cl)OC)c(cc(c1OC)OC)C)C
+O(c1c(CCl)cc(F)c(C)n1)C
+O(c1c(Cc2cc3c(s2)cccc3)cc(Br)c4c1cccc4)C
+O(c1c(Cl)ncc(CSC)c1)C
+O(c1c(O)cc(CC)c(C)n1)C
+O(c1c(OCC)cc(Br)cn1)C
+O(c1c(c(cc(c1OC)OC)C)C(c2c(c(Br)cnc2OC)Cl)=O)C
+O(c1c(cc(CC)c(C)n1)C=O)C
+O(c1c(cc(c(F)c1)N)F)c2cc(C(N)=O)ncc2
+O(c1c(cc(c(F)c1)N)F)c2ccnc(c2)NC(=O)CC
+O(c1c(cc(cc1)Cn2c3c(cc(cn3)I)nc2)OCC)Cc4ccc(nc4)OC
+O(c1c2C(CCCc2nc(Cl)c1)Cl)C
+O(c1c2cc(c(OC)cc2ncc1)OC)c3ccc(C)cc3C(=O)CC
+O(c1cc(C)nc(NC)c1[N+](=O)[O-])C
+O(c1cc(cc(OC)c1)C(c2ccc(O)c(OC)c2)=CC#N)C
+O(c1cc2nc[nH]c2cc1)CCCCCCCCCCCCN=[N+]=[N-]
+O(c1ccc(Cl)c(C)c1C(=O)c2c(C)cc(OC)c(OCC)c2OC)C
+O(c1ccc(cc1CCC(=O)OCC)CCCCC(=O)OCC)CCCCCOc2ccc3c(OCCC3=O)c2CCC
+O(c1cccc(OC)c1)Cc2cc3CCNCCc3cc2
+O(c1cccnc1C(=O)CBr)C
+O(c1ccnc(CCC)c1)C
+O(c1nc(ncc1NC)SC)c2c(cccc2)C
+O(c1ncc(Cl)c(C)c1Br)C
+O(c1ncc(cc1)C(=O)N)c2cc3c(CC(N)C3)cc2
+O(c1ncc(cc1[N+](=O)[O-])C=O)C
+O(c1nnc(SCC=C)c(c1C)C)CC
+O(n1nnc2c1cccc2)c3nc(Nc4cccc5c4ccn5C)c(cn3)C(=O)N
+O1C(C)C(C(OCC)=O)NCC1
+O1C(CCC1CCCCCCCC(=O)OC)CCC(O)(CCCCC)C
+O1C(COc2c(NC(=O)N)cccc2)C1
+O1C(COc2c(cccc2)C=Cc3cc(no3)CC)C1
+O1CC(COC1(C(=O)OCC)C)CCC=C
+O1CCCn2c1c(C(=O)C)cn2
+O1CCOC1(C)c2cccc(C(CCON=C(c3nc(C)ccc3)C)O)n2
+O1CCOC1(C=CC2C(OC3CCCCO3)CC4OC(O)CC24)COc5cc6c(cccc6)cc5
+O1CCOC1(CCCCCCN)C
+O1CCOC1(c2oc3c(c(ccc3OC)N)c2)C
+O1CCOC12CC(c3cc(c(cc3F)C(=O)O)F)CC2
+O1CCOC12CC3CCOc4c(cc(C)c(N)c4)C3(CC)CC2
+O1CCOC12CCC(CC2)(CC)COS(=O)(=O)c3ccc(cc3)C
+O1CCOC1C(CCC=O)CCOCc2ccccc2
+O1CCOC1CCN(C(c2cc(-c3c(Cl)c(OC(F)F)n(n3)C)c(cc2Cl)Cl)=O)C
+O1CCOC1CN2C(=O)C(NC(=O)Nc3ccc(cc3)C)(c4ccccc24)CC(Nc5ccc(cc5)C)=O
+O1CCOC1c2c(OC)ccc([N+](=O)[O-])c2
+O1CCOC1c2cc(Cl)c(cc2)Oc3cc(N)c(cc3)N
+O1c2c(OC1)c(Cl)cc(CC#N)c2
+O1c2c(ccc(C=3CCC(C(OCC)=O)CC=3)c2OCC1)OC
+O1c2cc(CC#N)cc(F)c2OC1
+O=C(C(=NOC)c1csc(NC(CCl)=O)n1)OC
+O=C(C(=NOCC(OCC)=O)c1csc(N)n1)NC2C(N3C2SCC=C3C(=O)O)=O
+O=C(C(=O)c1cn(c2c1cc(F)c(Br)c2)C)OCC
+O=C(C(O)=O)Nc1c2C(CC(c2c(C)cc1)CCC)=O
+O=C(CN1N=C(c2cc(F)ccc2)c3c(cc(OCC)cc3)C1=O)N(c4ccc5nc(oc5c4)C)C
+O=C(CNC(=O)C=1C(=O)N(Cc2c(F)cccc2)n3cccc3C=1O)O
+O=C(CNC(=O)c1c2c(cc(-c3cc(F)c(cc3)F)c1O)nc(cn2)-c4sccc4)O
+O=C(N)CC(O)(c1cc(c(cc1)Cl)Cl)CC
+O=C(N)c1c(C)cc(cc1Br)F
+O=C(N)c1c(O)nc(F)cn1
+O=C(N1C(SCC1C(O)=O)c2c(O)cccc2)CCS
+O=C(N1C=C(CO)C(=O)N(C1=O)C)NCCCCCC
+O=C(NC)c1c(C)nc2n1ccc(O)c2
+O=C(NCCCOc1cc2ccc(O)nc2cc1)n3cncc3
+O=C(NCCn1ncnc1)N2C(=O)CCC2
+O=C(Nc1cc(ccc1C)C(NCc2cccc(Cl)c2)=O)c3cc4cc(OC)c(OC)cc4nc3O
+O=C(O)C(C(=O)O)CC(=O)c1ccc(cc1)-c2ccc(cc2)NC(CCCC)=O
+O=C(O)c1c(Sc2ccccc2O)cc([N+]([O-])=O)cc1
+O=C(OCC)C(C(=O)OCC)CCCOc1cc(ccc1)C#CCCCCCC
+O=C(OCC)C(C)=Cc1ccc(N)cc1F
+O=C(OCC)Cc1c(F)cc(c(c1)N)F
+O=C(SC)c1cc(ccc1)C#C
+O=C(c1c(ccc(C)c1)-c2cnn(C)c2)N3CCCC(C)C3CNc4ccc(cn4)C#N
+O=C(c1ccc(cc1C)-c2ccc(c(F)c2)Nc3nc4c(cc(F)cc4)s3)O
+O=C(c1ccccc1Sc2cc(ccc2N)C(=O)O)O
+O=C(c1sc(C(NCc2ccc(c(Cl)c2)Cl)=O)cc1)Cl
+O=C(n1ccc2cc(Oc3ncnc(N)c3)ccc12)NC
+O=C1C2CCCCC2C(=O)N1CCOCCOC(=O)C=C
+O=C1CC(CC(=C1)OCC)c2c(OCOCCOC)cccc2
+O=C1CCC(=O)N1OC(=O)CCc2cc(C=Nc3c(O)cccc3)c(cc2)O
+O=C1CCC(=O)N1OC(=O)c2c(N=[N+]=[N-])c3ccccc3nc2
+O=C1CCC(=O)N1OC(=O)c2c(OCCCN=[N+]=[N-])ccc(c2)C(=O)C
+O=C1CN(C(=O)c2cc(c(Oc3c(O)cc(CC)c(c3)F)cc2)F)CCN1C
+O=C1N(C(C(=O)NC(C(=O)CF)CC(=O)O)C)C=CC=C1
+O=C1N(CCO1)c2ccc(NC(=O)N(OC)C)cc2Cl
+O=C1N(c2cc(OC)ccc2C(C)=C1)CCN3CC(C(=O)O)N(CC3)CCc4ccc5c(c4)OCCO5
+O=C1N2C(C(CNCC2)NC(=O)c3ccccn3)=NC(=C1)c4ccncn4
+O=C1NC(NC(=O)C1(Br)CCCCCCCCCC)=O
+O=C1Nc2c(NC1=O)c(C#N)c(s2)SC
+O=C1Nc2c(c(OC)cc(OC)c2)C(=O)O1
+O=C1c2c(N=C(N1c3ccc(c(c3)Cl)Cl)SCC(=O)NC4c5c(CC4)cccc5)cccc2
+O=C1c2c(cccc2)C(=O)N1c3cc(cc(F)c3)Oc4cccnc4
+O=C1c2c(cccc2)N=C(C=Cc3cccc(c3O)OC)N1c4ccc(c(c4)Cl)Cl
+O=C1c2c(ncn2C)N(C(=O)N1CCCCCCCCCCCCCCCC(O)CO)C
+O=C1c2cc(N)ccc2N=C(CF)N1c3ccc(cc3C)C
+O=C1c2ccc(cc2OCc3c1cc(cc3)F)F
+O=C1c2ccccc2C(=O)N1C3Cc4c(C3)cc(C(=O)Cc5ccccc5)cc4
+O=C1c2ccccc2C(=O)N1CC3Cc4c(O3)c5c(CCC5)cc4
+O=C1c2ccccc2C(=O)N1Cc3ccc(SC)cc3F
+O=C1c2ccccc2C(=O)N1Cc3ccc(cc3OC(C)=O)[N+]([O-])=O
+O=C1c2ccccc2C(=O)N1c3n(nc(-c4ccccc4)c3)C
+O=CC=1CCc2ccc(cc2C=1Br)F
+O=Cc1c(C)cc(OC)c(CCCC)c1C
+O=Cc1c(O)c(cc(C2CCOC2=O)c1)Br
+O=Cc1c(OC)c(Oc2cc(ccc2C#N)OC)ccc1
+O=Cc1c(OCCCO)cc(c(-c2cccs2)c1)OC
+O=Cc1c(c(Cl)c(O)c(O)c1)Cl
+O=Cc1c(c(F)cc(c1)Br)F
+O=Cc1c(ccc(C)n1)-c2oc(cn2)CC
+O=Cc1c(ccc(C=2CCC(CC=2)CCC)c1F)Br
+O=Cc1c(ccc(c1)Br)OCCOc2cc(Br)ccc2
+O=Cc1c(nc(SC)nc1-c2ccc(cc2C)F)NC(C)CC
+O=Cc1c2c(c(cc1)[N+]([O-])=O)OCO2
+O=Cc1c2c(cc(CCOC)c1)cccc2
+O=Cc1c2c(ccc(OC)c2)ccc1
+O=Cc1c2ncccn2nc1
+O=Cc1cc(CC)cc(C(=O)O)c1
+O=Cc1cc(c(OCCCC)c(Cl)c1)OCC(OCC)=O
+O=Cc1cc(cc(C)c1O)C(=O)OC
+O=Cc1cc(cc(OC)c1OCOC)N2CCOC2=O
+O=Cc1ccc(-c2ccc(cc2F)F)c(F)c1O
+O=Cc1ccc(OCC)cc1[N+]([O-])=O
+O=Cc1ccc(cc1[N+]([O-])=O)-c2ncccc2
+O=Cc1ccc2ncc(Cl)n2c1
+O=Cc1cn(c2ccc(OC)cc12)CCCCCI
+O=Cc1n(-c2ncccc2Cl)c(Cl)c(Br)c1
+O=Cc1n(ccc1)-c2c(F)ccc([N+]([O-])=O)c2
+O=Cc1ncc(-c2c(Cl)cc(cn2)C(=O)OC)cc1
+O=Cc1ncc(cc1)C(=O)OC
+O=Cc1oc2cccc(c2c1)Br
+O=Cc1sccc1CC(CCCC)CC
+O=Cc1sccc1OCCCCCCCC
+O=S(=O)(C(C)(C)CO)CCNC(=O)C1=Cc2c(ncnc2Nc3ccc(Oc4cnc(cc4)C)c(C)c3)NCC1
+O=S(=O)(C(C)C)NC1Cc2c(cc(-c3c(nccc3)F)cc2)C1
+O=S(=O)(C(C)C)c1ccc(cc1CN)NC(=O)N(C)C
+O=S(=O)(C(CCN=[N+]=[N-])C(=O)O)O
+O=S(=O)(C)C(C(=O)NO)(CCc1ccc(cc1)-c2ccc(cc2)[N+](=O)[O-])C
+O=S(=O)(C)C(C(O)=O)(CCN1C=C(C(=CC1=O)I)F)C
+O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C
+O=S(=O)(C)CC1OB(O)c2cc(ccc12)OC3CCCC3
+O=S(=O)(C)CCC(Cc1cccc(C#N)c1)(C(=O)NCC(NCc2sc(C#N)cc2)=O)NC(=O)OC
+O=S(=O)(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c5ccccc5n(C)c4
+O=S(=O)(C)CCN1CCN(CC1)c2c(cc(N)c(c2)OC)CC
+O=S(=O)(C)Cc1cc(cc2c(C(c3c(Cl)cc(cc3)F)C4C(C4)C#N)c[nH]c12)F
+O=S(=O)(C)N(N1C(N(c2c(cc(-c3ccnn3C)c(C(C)C)c2)C1=O)C(=O)OC)=O)C(=O)C
+O=S(=O)(C)N(c1cc2nn(-c3ccc(cc3)Cl)c(C(=O)NC)c2cc1C4CC4)CCCC5CO5
+O=S(=O)(C)N1CCC(CC1)c2cc3c(nnc(c3Nc4c(cc(cc4)C)F)C(N)=O)cc2OC
+O=S(=O)(C)N1CCCc2c1ccc(Br)c2
+O=S(=O)(C)NC(=O)c1cc(ccc1)-c2nc(NC(=O)C3(CC3)c4ccc5OC(F)(F)Oc5c4)ccc2C
+O=S(=O)(C)NC(C)(C)Cn1c2c3c(ncc2nc1COCC)cc(O)cc3
+O=S(=O)(C)NC(c1ccc(c(Cl)c1)OCc2cc(F)c(cc2)F)=O
+O=S(=O)(C)NCC(Nc1c(Cl)cnc(Nc2cc3c(cc2)CCN(CC3)CCOC)n1)C
+O=S(=O)(C)NCc1cc(cc(-c2c(c(N)ccn2)N)c1)F
+O=S(=O)(C)NCc1ccc(nc1)-c2n(nc(C(N(CC)C)=O)c2)-c3ccc(OC)nn3
+O=S(=O)(C)Nc1c(cccc1)Nc2c(cnc(Cl)n2)F
+O=S(=O)(C)Nc1cc(c(cc1)F)C2=CN(C)C(c3ccc(cc23)-c4cnn(c4)C)=O
+O=S(=O)(C)Nc1cc(ccc1)C(C)Cl
+O=S(=O)(C)Nc1cc(ccc1Nc2nc(Nc3ccc(cc3OC)OCCO)ncc2Cl)OC
+O=S(=O)(C)Nc1cc(ccc1O)C(O)CNCCc2ccc(cc2)OCCOCc3cc(ccc3)C#N
+O=S(=O)(C)Nc1ccc(CC2=NCCN2)c(C)c1F
+O=S(=O)(C)Nc1ccc2c(c1)C3=NC=C(C(OCC)=O)C(=O)N3C=C2C
+O=S(=O)(C)Nc1cccc(OCC2OC2)c1
+O=S(=O)(C)Nc1cccc2n(ccc12)C(CC)(c3ccc(cc3)Cl)CCF
+O=S(=O)(C)Nc1ncc(C(=O)NCC=CC(=CC)CC)cc1
+O=S(=O)(C)OC(C)c1c(c(C(=O)NCC)c(c(c1)Cl)C)-c2cc(F)cc(c2)F
+O=S(=O)(C)OC(c1ccc2nccnc2c1)c3ccccc3
+O=S(=O)(C)OC1C(CCCC1)Nc2nc3c(s2)cc(Cn4cnc5c4nccc5)cc3
+O=S(=O)(C)OC1CN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1
+O=S(=O)(C)OC1CN(C1)Cc2ccc(cc2)C(C)C
+O=S(=O)(C)OCC1CN2C(CC1)CN(CC2)c3noc4ccccc34
+O=S(=O)(C)OCCC(C)(C)CC1OCCO1
+O=S(=O)(C)OCCCC1=C(c2ccc(C)nc2N(CC)C1=O)c3cccc(c3)Cl
+O=S(=O)(C)OCCCCCCCOc1ccccc1
+O=S(=O)(C)OCCOc1ccc(-c2ccccc2F)nc1
+O=S(=O)(C)OCCOc1ccc(cc1)Cc2c(nn3c2nc(cc3C)C)CC
+O=S(=O)(C)OCCOc1ccc2c(ccnc2c1)-c3c4n(nc3-c5ccccn5)CCC4
+O=S(=O)(C)OCc1c(non1)C=2N(c3ccc(c(c3)Cl)F)C(ON=2)=O
+O=S(=O)(C)OCc1coc(COC)n1
+O=S(=O)(C)OCc1nc(Cl)nc(N2CCOCC2C)c1
+O=S(=O)(C)OCc1sc(nc1C)-c2c3c(n(CC4CCCCC4)c2)c(OC)ccc3
+O=S(=O)(C)c1c(C)cc(cc1)C(C(Nc2nn(cc2)CC(C)(C)O)=O)CC3CC(CC3)=O
+O=S(=O)(C)c1c(Cl)cc(cc1)C(=NOC2CCCC2)C(Nc3nn(CCC)cc3)=O
+O=S(=O)(C)c1c(NC(c2cc(Cl)cc(OC)c2OC)C)cc(F)cc1
+O=S(=O)(C)c1c(ccc(Br)c1)CNC
+O=S(=O)(C)c1cc(C(O)=O)cc(O)c1
+O=S(=O)(C)c1cc(C2=NC(c3ccc(Cl)cc3S2)=O)nc(c1)CCC(OCCN(CC)CC)=O
+O=S(=O)(C)c1cc(Cl)c(C(C(=COCC)C(=O)CC)=O)cc1
+O=S(=O)(C)c1cc(Cl)c(Oc2c(ccc(CC(O)=O)c2)Cl)cc1
+O=S(=O)(C)c1cc(Oc2cccc(-n3c(nc4c3cccc4Cl)C(C)C)c2)cc(Cl)c1
+O=S(=O)(C)c1cc2c(C)cn(NC(c3cnc(nc3C)-c4cccc(F)c4)=O)c2cc1
+O=S(=O)(C)c1cc2c(ncnc2cc1)NCc3cc4c(OCO4)cc3
+O=S(=O)(C)c1ccc(C(=O)c2cnn(CC)c2OC(=O)SCC)c(c1OCCOC)C
+O=S(=O)(C)c1ccc(C(O)=O)c(c1C2=NOC(C2)C)Cl
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc(C4=NCC(S4)CC(=O)N5CCS(CC5)=O)[nH]3)c2)CC)cn1
+O=S(=O)(C)c1ccc(c(c1-c2ccon2)C)C(=O)C3C(=O)N(N=C3)CC
+O=S(=O)(C)c1ccc(cc1)-c2cc(ccc2F)-c3cn[nH]c3-c4nc(ccc4)C
+O=S(=O)(C)c1ccc(cc1)-c2nc(-c3nc(c4c(cc(OC)cc4OC)n3)O)ccc2OCCNC(C)C
+O=S(=O)(C)c1ccc(cc1)Nc2c3nccn3c(cn2)Br
+O=S(=O)(C)c1ccc(cc1)Oc2cc(-c3c4c(c(N)n[nH]4)ccc3)nc5n(ncc25)C
+O=S(=O)(C)c1ccc(cc1C#N)-c2sc(nc2C)NC(=O)NCCc3ncc(o3)CC
+O=S(=O)(C)c1ccc2n(CC(O)=O)c(c(Oc3ccc(cc3)Cl)c2c1)C
+O=S(=O)(C)c1cccc(-c2cc3c(c(N4CCOCC4)nc(n3)-c5cnc(nc5)N)cc2F)c1
+O=S(=O)(C)c1cccc(NC(=O)Nc2ccc(cc2)Oc3ccnc4cc(O)c(cc34)C#N)c1
+O=S(=O)(C)c1cncc(-c2ccc3n(cc(n3)NC(C)=O)n2)c1
+O=S(=O)(C)c1nc(N)c(c(NC(c2c(-c3ccnn3C)cc4c(ccn4C)n2)C)n1)C#N
+O=S(=O)(C)c1nc(c(c(N2CCCC2)n1)Cc3ccccc3)Cl
+O=S(=O)(C)n1nc(-c2ccnc3ccc(cc23)C#N)cc1
+O=S(=O)(C1CC1)NCC2NCCOC2
+O=S(=O)(C1CC1)NCc2ccc(c(C(=O)Nc3ccc(OC)c(c3)C(Nc4ccc(cc4)Br)=O)c2)Cl
+O=S(=O)(C1CC1)Nc2c3c(nc(C)c2)sc(c3-c4cccc(OC)c4)-c5c[nH]nc5
+O=S(=O)(C1CN(c2n(-c3cc(Cl)ncc3)nc(C)c2)C(C1)C(O)=O)C
+O=S(=O)(CC)N(Cc1cccnc1)c2cccc(c2)C=Cc3ccccc3
+O=S(=O)(CC)N1CC=C(c2nc(c(N)nc2)-c3noc(n3)-c4ccccc4)CC1
+O=S(=O)(CC)N1CCN(CC1)c2ccc(cc2)NC(C3CCc4cc(OC)cc(N5CCN(CC5)C)c4O3)=O
+O=S(=O)(CC)N1CCN(CC1)c2cnc3N=CN(C(c3n2)=O)C
+O=S(=O)(CC)NC(C(=O)NC1C(c2ccc(OCC#C)c(OC)c2)CCCC1)C(C)C
+O=S(=O)(CC)NC1C(CCCC1)CSc2ccc(cc2)C(C)C
+O=S(=O)(CC)Nc1c(F)c(C(=O)c2c[nH]c3ncncc23)ccc1
+O=S(=O)(CC)Oc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C
+O=S(=O)(CC)c1c(CN)cc(cc1)C#N
+O=S(=O)(CC)c1ccc(cc1S(=O)(=O)N)NC=O
+O=S(=O)(CCC)CC1CC(C1)(C#N)CC2CC2
+O=S(=O)(CCC)N(S(=O)(=O)CCC)c1c(c(c(c(c1)F)F)C(c2ccc3ncc(nc3c2)Cl)=O)F
+O=S(=O)(CCC)N1CCC(CC1)(c2ncccc2)C#N
+O=S(=O)(CCC)NCc1ccc2c(C(Cc3ccccc3)C(CC2)NC4(COC4)C#N)c1
+O=S(=O)(CCC)Nc1c(F)c(c(F)cc1)C(c2c3c(ncc(Br)c3)n(C(c4c(cccc4Cl)Cl)=O)c2)=O
+O=S(=O)(CCC)c1cc(OCCCCCCc2cccc(OCCCC(OCC)=O)c2CCC(OCC)=O)cc(Br)c1
+O=S(=O)(CCCC)NC(C(=O)NCCc1ccc(c(OC)c1)OCc2cccc3ccccc23)C(C)CC
+O=S(=O)(CCCCC)NC(=O)c1cc(c(NC(=O)C)cc1)N(C)Cc2ccc(Cl)cc2Cl
+O=S(=O)(CCCl)CCC(NCCS(C=C)=O)=O
+O=S(=O)(CCN1CCOCC1)N2CCC(CC2)Nc3nc(c(cn3)Cl)-c4cnc(n4C(C)C)C
+O=S(=O)(CCN1Cc2cccc(Nc3nc(-c4ccccn4)c(C)cc3)c2CC1)C
+O=S(=O)(Cc1c(OCCN2CC(C)OC(C)C2)cc(C(Nc3ccc(Cl)c(-c4ccccn4)c3)=O)cc1)C
+O=S(=O)(Cc1c(c(c(-c2ccoc2)cc1)OC)C(=O)OC)c3cc(ccc3)OC
+O=S(=O)(Cc1cc(Nc2nc(c(cn2)F)-c3c(cc(c(F)c3)F)F)cc(c1)F)CCC
+O=S(=O)(Cc1ccc(C#N)c(OC)c1C(=O)O)c2ccccc2
+O=S(=O)(Cc1cccc(Nc2ncnc(n2)-c3c(ccc(c3)C=O)OC)c1)N
+O=S(=O)(Cc1ccccc1)N2CCC(CC2)Cn3cnc4c3ccc(-c5cn(C6CCCCO6)nc5)c4
+O=S(=O)(Cl)c1c(SC)ccc(C2CC(O)=C(C(=O)CC)C(=O)C2)c1
+O=S(=O)(Cl)c1cc(C(N)=O)c(NC(C)=O)s1
+O=S(=O)(N(C)C(CO)C(CC)C)c1ccc(cc1)Cl
+O=S(=O)(N(C)C)n1ccc(C(N(OC)C)=O)n1
+O=S(=O)(N(C)CC(CO)c1ccccc1)c2ccccc2
+O=S(=O)(N(C)CCCC)CCCCCI
+O=S(=O)(N(C)c1c(cc2c(oc(C34C(CCC3)C4)c2C(NC)=O)c1)-c5nc-6c(cc5)OCn7c8cccc(F)c8cc-67)C
+O=S(=O)(N(C)c1cccc(c1)-c2nn3c(cc2)nc(c3)NC(C)=O)c4ccc(cc4)C
+O=S(=O)(N(C)c1ncc(c(c1)C)-c2cc(Cl)ccc2OC(C)C(=O)O)C
+O=S(=O)(N(C1CCC(CC1)C(=O)OC)C(C)C)c2cc(ccc2)C(=O)O
+O=S(=O)(N(C1c2c(OCCC1)c(cc(Cl)c2)C)C)CC
+O=S(=O)(N(CC=O)c1c(cc2c(C(NC)=O)n(-c3ccc(C)cn3)nc2c1)C4CC4)C
+O=S(=O)(N(CCCC)C1CCCOc2ccccc12)C
+O=S(=O)(N(CCCC=C)C)CCC(OC)=O
+O=S(=O)(N(CCNc1cccnc1C(OC)=O)C)C
+O=S(=O)(N(COC)c1cccc(-c2nc(sc2Br)N)c1F)c3c(F)ccc(F)c3
+O=S(=O)(N(Cc1cc(Cl)c(cc1)C(F)(F)P(O)(O)=O)Cc2ccccc2)c3c(C(=O)N)cccc3
+O=S(=O)(N(Cc1ccccc1)CCN2Cc3ccccc3C(C(=O)C2)(O)C4CCC4)c5ccccc5[N+](=O)[O-]
+O=S(=O)(N(c1c2c(nccc2)c(O)c(n1)C(=O)NCc3ccc(F)cc3SC)C)c4ncn(C)c4
+O=S(=O)(N(c1cc([N+](=O)[O-])c(F)cc1)C)c2sccc2
+O=S(=O)(N(c1ccc(Cl)cc1C(c2c(cccc2)Cl)O)CC(OCC)=O)c3ccc(c(OC)c3)OC
+O=S(=O)(N(c1ccc2c(c1)S(=O)(=O)NC(=N2)C=3C(=O)N(C4C(C5CCC4C5)C=3O)Cc6cc(C)c(cc6)F)C)C
+O=S(=O)(N(c1cccc2c1[nH]c(c2)-c3sc(cn3)CNCCCC(OCC)=O)C)c4cccs4
+O=S(=O)(N(c1sc(cn1)Cl)Cc2c(OC)cc(cc2)OC)c3c(F)cc(c(Cl)c3)F
+O=S(=O)(N)OCC1CC(CC1OC(C)=O)n2c3ncnc(NC4c5ccccc5CC4)c3cc2
+O=S(=O)(N)c1c(OS(=O)(=O)C)cccc1
+O=S(=O)(N)c1c(c(C)cc(c1)N)OC
+O=S(=O)(N)c1c(c(SC)cc(CBr)c1)Cc2ccccc2
+O=S(=O)(N)c1c(cccc1OCCC)I
+O=S(=O)(N)c1cc(c(cc1C(C)C)C#N)C(C)C
+O=S(=O)(N)c1cc(ccc1C)C(N(C)OC)=O
+O=S(=O)(N)c1cc2c(N(Cc3ccc(Cl)c(Cl)c3)CC2)cc1
+O=S(=O)(N)c1ccc(Oc2ccc(cc2F)F)c(I)c1
+O=S(=O)(N)c1n(nc2cccc(OCCF)c12)C
+O=S(=O)(N1C(C(O)=O)CN(CC1)C)c2ccc(cc2)F
+O=S(=O)(N1C(C(OCC)=O)CN(CC1)Cc2ccc(cc2)Br)c3ccc(cc3)OCC#CC
+O=S(=O)(N1C(CSCC1)CCNC(=O)C(NC(=O)c2cc3ccccc3s2)CC(C)C)c4c(cc(cc4)Cl)Cl
+O=S(=O)(N1C2C(N(C(NC3CNCCCC3)=O)CC2)C1=O)O
+O=S(=O)(N1C2Cc3c(cnc4cc(nn34)C)C1CCC2)c5ccc(cc5)Cl
+O=S(=O)(N1C=CNC(=O)C1Cc2cn(nn2)C3c4c(CCC3)cc(C=O)cc4)c5ccc(cc5)C
+O=S(=O)(N1CC(CNC(C(CC(C)C)NC(c2cc3ccccc3s2)=O)=O)C(O)C1)c4ccc(cc4Cl)F
+O=S(=O)(N1CC(Nc2nc(-c3cnc4ccc(cn34)C#N)ncc2)CCC1)CC
+O=S(=O)(N1CCC(CC1)COc2c3ccccc3nc(c2)C)CCC4C(NC(N4)=O)=O
+O=S(=O)(N1CCC(CC1)Nc2nc(N)c(cn2)C(=O)c3c(ccc(F)c3F)OC)CCCNC(CO)CC
+O=S(=O)(N1CCN(CC1)C(C(=O)OC)(C(=O)OC)CNC(c2ccc(cc2)OCC#CC)=O)C
+O=S(=O)(N1CCN(CC1)C)c2cc(-c3nc(c4c(c(CCC)nn4C)n3)O)c(cc2)OCC=C
+O=S(=O)(N1CCN(CC1)CC(n2cc(cn2)-c3ncnc4[nH]ccc34)C)c5nn(cc5)C
+O=S(=O)(N1CCN(CC1)Cc2sc3c(c(N4CCOCC4)nc(-c5c6c[nH]nc6ccc5)n3)c2)C
+O=S(=O)(N1CCN(CC1)c2cnc(cc2)N3CCNc4ccccc34)C5CC5
+O=S(=O)(N1CCN(CC1=O)C(=O)CN2C(=O)NC(C=C2)=NC(OCc3cc4OCOc4cc3)=O)c5nc6ccccc6s5
+O=S(=O)(N1CCOc2c1cc(C(Nc3ccc(cc3)C(O)=O)=O)cc2)c4c(OC)ccc(Cl)c4
+O=S(=O)(N1CCOc2ccc(cc12)C(Nc3ccc(cc3)-c4[nH]nnn4)=O)c5cc(Cl)ccc5OC
+O=S(=O)(N1CCc2c(OCCN3CCCCC3)cccc2C1C(O)=O)c4ccc(cc4)Oc5ccc(cc5)F
+O=S(=O)(N1c2c(F)cc(Br)cc2CC1)CC
+O=S(=O)(N=C=O)c1ccccc1C(C)=C
+O=S(=O)(N=[N+]=[N-])c1c(cc(cc1)Br)CCC
+O=S(=O)(NC(=O)CC)c1ccccc1-c2ccc(cc2)CC3=C(CCCC)N=C(N(c4ncc(cn4)OC)C3=O)C
+O=S(=O)(NC(=O)c1c(cc(COc2cc(c(C#N)cc2)Cl)c(F)c1)F)N(C)C
+O=S(=O)(NC(=O)c1cccc(N)c1)C
+O=S(=O)(NC(C(=O)O)Cc1c[nH]c2c1cccc2)c3ccc(s3)C#C
+O=S(=O)(NC(C1(CC1)c2ccc(cc2)-c3ccc(cc3)-c4onc(C)c4Nc5cccc(n5)-c6ccccc6)=O)C
+O=S(=O)(NC(C1CCCN(c2nc(nc(NCCc3c(cc(Cl)cc3)Cl)c2)OC)C1)=O)C
+O=S(=O)(NC(NCCCC)=O)c1ccccc1S(=O)C
+O=S(=O)(NC(Nc1cc(cc(NCCF)n1)SC)=O)c2sc(c(c2)C)CCOC
+O=S(=O)(NC(Nc1nc(C)cc(n1)C)=O)c2ccccc2S(=O)(=O)C(C)C
+O=S(=O)(NC(Nc1nc(CC)c(Br)s1)=O)c2cc(sc2)C
+O=S(=O)(NC)Cc1ccc(cc1)Nc2nc3ccc(cc3c(Nc4ccccc4)n2)OC
+O=S(=O)(NC)Cc1ccc(cc1)Oc2cc(nc(C)n2)CNc3ncc(cn3)Cl
+O=S(=O)(NC)c1c(cccc1)Nc2nc(ncc2[N+]([O-])=O)Nc3c(ccc(OC)c3)OC
+O=S(=O)(NC1=C2OCCN2C(C(C)=C1Nc3c(F)cc(I)cc3)=O)C4CCC4
+O=S(=O)(NC1CC(c2c(OCOC)cc(cc2)OCOC)CCC1)C
+O=S(=O)(NC1CC1)c2c(F)ccc(NC(c3ccc(F)c(c3)F)=O)c2
+O=S(=O)(NC1CCC(CC1)O)c2c(ccc(-c3cnc(N)nc3C)c2)Cl
+O=S(=O)(NC1CCCC1)c2ccc(cc2)-c3nc(N)sc3
+O=S(=O)(NC1c2cncc(-c3cc(c4c(CCC(=O)N4C)c3)F)c2CCC1)CC
+O=S(=O)(NCC(C)(C)CNc1nc(Cl)cc(-c2c3c(nccc3)[nH]c2)c1)c4cnccc4
+O=S(=O)(NCC(C)Oc1ccc(cc1)Br)C(C)C
+O=S(=O)(NCC)c1cc(C(Nc2sc(C3CCCC3)nn2)=O)c(F)cc1F
+O=S(=O)(NCC1CC1)c2ccc(N3CCCC3)c(c2)C(O)=O
+O=S(=O)(NCCC(=O)NC(c1cncn1C)(C)c2ccc(c(F)c2)C#N)c3cc(OC)ccc3
+O=S(=O)(NCCC1CCN(CC1)c2c3sc(C(N)=O)cc3nc(C)n2)C
+O=S(=O)(NCCCCCC(Nc1ccccc1)=O)C
+O=S(=O)(NCCOCCOc1ccc2c3c(c(nc2c1)N)nc(CCC)s3)C
+O=S(=O)(NCCOc1c(cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)cc1Br)OCC)C
+O=S(=O)(NCCOc1ccnc(Oc2c(cc(Cl)c(c2)Cl)I)c1)C=C
+O=S(=O)(NCCn1nc(c(c1CC)Cc2cc(Cl)cc(Cl)c2)CC)c3ncn(C)c3
+O=S(=O)(NCc1ccccn1)c2cccc(c2)C=O
+O=S(=O)(NCc1cnccc1)c2cc(ccc2)C=CC(=O)NO
+O=S(=O)(Nc1c(c(-c2c(-c3nc(S(=O)C)ncc3)sc(n2)C4CC4)cc(Cl)c1)F)C
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnc(cc2)NC(N3CCCC3)=O)F)CCC
+O=S(=O)(Nc1c(cc(Cl)cc1)C(=O)c2ccccn2)c3ccc(cc3)OC
+O=S(=O)(Nc1c(cc(NCCCCCC)cc1)OC)c2c(C(OC)=O)scc2
+O=S(=O)(Nc1c(cc(cc1)C(CBr)=O)Sc2ccc(F)cc2F)C
+O=S(=O)(Nc1c(ccc(c1)Cl)SCc2cn(cn2)CCC)c3oc4c(c3)cccc4
+O=S(=O)(Nc1c(cccc1)S(=O)(=O)Nc2ccc(cc2)OC)c3sccc3
+O=S(=O)(Nc1c2c(cc(c1)N3CCOCC3)n(c(C)n2)Cc4c5c(ccc4)cccc5)C
+O=S(=O)(Nc1c2c(ccc1)cccc2)c3cccc(C=CC(NO)=O)c3
+O=S(=O)(Nc1c2c(ccc1OC)C(CCC2)C=3NCCN=3)C
+O=S(=O)(Nc1c2c(cccc2)c(O)c(c1)I)c3sccc3
+O=S(=O)(Nc1cc(F)ccc1SCc2ccccc2C(=O)O)c3cc4c(s3)cccc4
+O=S(=O)(Nc1cc(N2CCN(CC2)C)ccc1Br)c3ccc4ccccc4c3
+O=S(=O)(Nc1cc(OC(OCC)=O)ccc1OC)C
+O=S(=O)(Nc1cc(ccc1Cl)N2CC(C)NC(C)C2)c3ccc(cc3)Br
+O=S(=O)(Nc1cc(cnc1Cl)Nc2ncccc2-c3nc(C)nc(N)n3)N4CCOCC4
+O=S(=O)(Nc1cc(cnc1OC)-c2nn3c(ncc3C#CC(O)C)cc2)c4ccc(cc4)F
+O=S(=O)(Nc1ccc(-c2c(ccc(CC(=O)O)c2)OC)c(CN(C(=O)OCc3ccccc3)CC)c1)C
+O=S(=O)(Nc1ccc(C(=O)OCCOCCO)c(O)c1)c2cc(Cl)sc2Cl
+O=S(=O)(Nc1ccc(C=O)cc1F)C
+O=S(=O)(Nc1ccc(F)c(NC(=O)OC)c1)CC
+O=S(=O)(Nc1ccc(c2c(c[nH]c12)C#N)C)c3cccc(c3)C#N
+O=S(=O)(Nc1ccc(cc1)C2C(C)(C)Cc3cc(ccc3N2)C(O)=O)c4cccc(F)c4
+O=S(=O)(Nc1ccc(cc1)CNC2c3ncccc3CCC2)c4ccccn4
+O=S(=O)(Nc1ccc2c(c(C(=O)C)c[nH]2)c1)c3ccccc3
+O=S(=O)(Nc1ccc2n(CC(OCC)=O)c(cc2c1)C)C
+O=S(=O)(Nc1cccc(N2C=3N(C)C(C=C(OS(=O)(=O)c4ccc(cc4)C)C=3C(N(C5CC5)C2=O)=O)=O)c1)C
+O=S(=O)(Nc1cccc(Oc2cc(F)cc(Nc3c(F)cc(cc3)I)c2C(N)=O)c1)N(C)C
+O=S(=O)(Nc1cccc(c1F)C=O)c2c(F)ccc(c2)F
+O=S(=O)(Nc1cccc2c(c[nH]c12)C3(CC)c4ccc(cc4CC3)F)CC
+O=S(=O)(Nc1ccccc1NS(=O)(=O)c2sc3ccccc3c2)c4ccc(cc4OC)[N+]([O-])=O
+O=S(=O)(Nc1cn(c(C#N)c1)C)C
+O=S(=O)(Nc1n[nH]c2ccc(NS(=O)(=O)c3cc(F)ccc3)cc12)C
+O=S(=O)(Nc1nc(OCCCCN2CCc3c(cccc3)C2)ccc1)CC
+O=S(=O)(Nc1nc(SCc2c(c(F)ccc2)F)nc(OC)c1)c3c(C)nc(s3)N
+O=S(=O)(Nc1scc(C=2CCCC3(CC(N(Cc4cc(OC)ccc4)C=23)=O)C)n1)c5ccc(c(F)c5)F
+O=S(=O)(Nc1scnn1)c2ccc(cc2)NC(=O)CCCCCCCCC
+O=S(=O)(O)N1C(=O)C(C1COC(=O)N)NC(=O)C(=NOCCN=[N+]=[N-])c2nc(sc2)N
+O=S(=O)(O)c1cc(c(cc1OC)OC)N
+O=S(=O)(OC(C1C(C)(C)C1C(OCC)=O)C(Cl)Cl)c2ccc(cc2)C
+O=S(=O)(OC(c1cc2c(nc1C(OC)OC)N(C(Nc3ncc(C#N)c(NCCOC)c3)=O)CCC2)C)C
+O=S(=O)(OC1CN(C1)c2c(c3c(C(C(=CN3C4CC4)C(O)=O)=O)cc2F)F)C
+O=S(=O)(OC=1c2ccccc2C(=O)N(CC(N(CC)c3ccc4OC(F)(F)Oc4c3)=O)N=1)c5ccc(cc5)C
+O=S(=O)(OCC(C)Cn1c2ccc(cc2cn1)C)C
+O=S(=O)(OCC(CNC(=O)C)c1cccc2ccc(OC)cc12)C
+O=S(=O)(OCC(c1ccccc1)C(=O)Nc2cc3c(cncc3)cc2)C
+O=S(=O)(OCC1(CC1)c2[nH]c(-c3ccc4c(n3)oc(NC(COCC)C)n4)c(-c5ccc(F)cc5F)n2)C
+O=S(=O)(OCC1CNC(=O)CO1)c2ccc(cc2)C
+O=S(=O)(OCCCCCCCn1c2nc(nc(N)c2nc1Cc3cc4c(cc3I)OCO4)F)N
+O=S(=O)(OCCN(CC)c1ccc(c(c1)NC(=O)C)N=Nc2c(cc(cc2)[N+](=O)[O-])OC)c3ccccc3
+O=S(=O)(OCCOCCOC(=O)CCCCCCCCCCCCCCCCCCCCC)c1ccc(cc1)C
+O=S(=O)(OCCOCCOCCN=[N+]=[N-])C
+O=S(=O)(OCCc1ccc(cc1)CCCCCCCC)C
+O=S(=O)(ON=C1CCc2ccccc12)c3ccc(cc3)C
+O=S(=O)(Oc1c(-c2ccccc2)cc(cc1)C(=O)c3c(Cl)cccc3)c4cc(O)c(cc4)C(O)=O
+O=S(=O)(Oc1cc(C)cc(OCCC=O)c1)c2cccc3nsnc23
+O=S(=O)(Oc1ccc(cc1)OCCc2ccc(cc2)OCc3ccccc3C(=O)O)C
+O=S(=O)(c1[nH]nc2c(OC(CCl)CCl)cccc12)c3cccc4ccccc34
+O=S(=O)(c1c(-c2ccccc2)c(cc(c1)C(O)=O)NCC=CC)N
+O=S(=O)(c1c(C(=O)OC)cccc1)NC(=O)Nc2nc(C)cc(COC(C)=O)n2
+O=S(=O)(c1c(C)nc(N(C)C(Cc2ccc(cc2)-c3cc(F)ccc3F)=O)s1)N
+O=S(=O)(c1c(C=2OCCN=2)c(c(cc1)C(=O)OC)Cl)C
+O=S(=O)(c1c(CC2CN3CCC2CC3)cc(F)cc1)Nc4ccc5c(c4C(=O)OC)OCC6CC56
+O=S(=O)(c1c(CN2c3nc(S(=O)C)ncc3C=CC2=O)cccc1)CC
+O=S(=O)(c1c(Cl)cccc1)Nc2cccc(c2)OCCc3ccc(cc3)C#N
+O=S(=O)(c1c(N)cc(Cl)cc1Cl)NC(CNc2ccc(C)cc2C)CC
+O=S(=O)(c1c(NCC=C)c(c(cc1)C(C2C=NN(C)C2=O)=O)C)C
+O=S(=O)(c1c(OC(C)C)ccc(-c2ccc(C(NC)=O)c(c2)Cl)c1)NC(Cc3c[nH]c4c3cccc4)CO
+O=S(=O)(c1c([N+](=O)[O-])cccc1)Nc2ccccc2C=NC(C)CO
+O=S(=O)(c1c([N+]([O-])=O)cccc1)N(CCCN)C(C)C
+O=S(=O)(c1c(cc(c(C(OC)=O)c1)OCC)OC)Cl
+O=S(=O)(c1c(cc(cc1)F)C)Nc2cncc(c2)-c3ccc(c(Cl)c3)C#N
+O=S(=O)(c1c(cc(cc1)O)CC(NCC)=O)Nc2ccc3COB(c3c2)O
+O=S(=O)(c1c(ccc(Cl)c1)F)Nc2ccc(cc2)-c3nc4[nH]ncc4c(n3)OC5CCC(CC5)O
+O=S(=O)(c1c(cccc1)C)OCC2CCC(=CC2)CCCCC
+O=S(=O)(c1c(cccc1)[N+](=O)[O-])N(CCc2cnccc2)CCCOc3ccc4N(C(=O)C(C)(C)C(=O)N(c4c3)C)CC
+O=S(=O)(c1c(sc2ncccc12)Cc3cc4c(OCO4)cc3C)Nc5c(c(C)no5)Cl
+O=S(=O)(c1c2c(cccc2[N+](=O)[O-])c(c(CCO)c1)Br)N
+O=S(=O)(c1cc(-c2c(c3c([nH]2)cccc3)CC(=O)O)ccc1Cl)Cc4cc(Cl)ccc4
+O=S(=O)(c1cc(-c2c3cccc(c3c(NCc4ccccn4)nn2)-c5ccccc5)cnc1)N
+O=S(=O)(c1cc(-c2c3cccnc3[nH]n2)[nH]c1)NCCN4CCOCC4
+O=S(=O)(c1cc(C(Nc2ccc(c(Br)c2)F)=O)c(C)s1)Cl
+O=S(=O)(c1cc(C=2c3c(C(=O)N(C)C=2)cncn3)c(F)cc1)C
+O=S(=O)(c1cc(Cl)c(N2CN(CC2=O)c3ccc(cc3)Cl)cc1)N
+O=S(=O)(c1cc(Cl)c(cc1)Oc2ccc(cc2)Cl)NC3CCCc4c3cccc4OCC(O)=O
+O=S(=O)(c1cc(I)ccc1C(=O)OC)NC(=O)NCCCC
+O=S(=O)(c1cc(c(Cn2c3c(cccn3)c(CC(=O)O)c2C)cc1)Cl)C
+O=S(=O)(c1cc(c(F)cc1)F)Nc2ccc(N3CCC(C3)N4CCCC4C)nc2C
+O=S(=O)(c1cc(c(Oc2c(cccc2C)CN3CCCC3=O)cc1)Br)CC
+O=S(=O)(c1cc(c(cc1)F)Cl)N(c2ncc(cc2)F)Cc3ccc(cc3OC)OC
+O=S(=O)(c1cc(c(cc1)OC)CCC(=O)OCCS(=O)(=O)c2ccc(cc2)C)Cl
+O=S(=O)(c1cc(c2ncn(c2c1)-c3ccccc3)Br)c4cc(C(OC)=O)sc4SC
+O=S(=O)(c1cc(cc(CC)c1)Cl)N(c2cc3c4ccccc4n(CC)c3cc2)CC(=O)O
+O=S(=O)(c1cc(ccc1)Cl)Nc2cc(nc3sc(C#CCN4CCOCC4)c(c23)-c5cc(ccc5)OC)C
+O=S(=O)(c1cc(ccc1)Oc2ccccc2C(C(OC)=O)=COC)Cl
+O=S(=O)(c1cc(ccc1C(=O)c2c(onc2)C3CC3)Cl)C
+O=S(=O)(c1cc(ccc1F)C(=O)CBr)N
+O=S(=O)(c1cc(ccc1F)F)Nc2ccc(c(c2F)-c3nn(cc3-c4ccncc4)CC)F
+O=S(=O)(c1cc(ccc1O)Oc2c(cc(cc2Cl)N)Cl)CC3CC3
+O=S(=O)(c1cc(ccn1)C(NC(=O)c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)CCN)C
+O=S(=O)(c1cc(sc1Cl)Cl)NC(C)COc2cccc3cnccc23
+O=S(=O)(c1cc2c(OCCC2CNC(N3CC(=C(CC)C3=O)C)=O)cc1OCC)NC(=S)NCC
+O=S(=O)(c1ccc(-c2cc(ccc2F)Br)c(OC)c1)CC
+O=S(=O)(c1ccc(C)c(c1)[N+]([O-])=O)C
+O=S(=O)(c1ccc(Cl)c2c1CCN(C(C)=O)C2)Cl
+O=S(=O)(c1ccc(NC(C)=O)cc1CS(=O)(=O)CC)Cl
+O=S(=O)(c1ccc(NN)c(Cl)c1)N
+O=S(=O)(c1ccc(O)c(Cc2cc(Cl)ccc2OCC(=O)OC)c1)C
+O=S(=O)(c1ccc(OC)cc1OC)NC(C)c2c(-c3c(F)cc(Cl)cc3)cccc2
+O=S(=O)(c1ccc(c(c1)C#N)Br)N(c2ncns2)Cc3ccc(cc3OC)OC
+O=S(=O)(c1ccc(c(c1)C(=O)O)Cl)N2CCC(CC2)CCl
+O=S(=O)(c1ccc(c(c1C=NOCC)Cl)C(O)=O)C
+O=S(=O)(c1ccc(cc1)-c2c(-c3ccc(cc3)Cl)c(n4c2CCC4)C(OC)=O)N
+O=S(=O)(c1ccc(cc1)-c2cnc(nc2)CC)Nc3c(F)c(F)c(c(c3F)F)C(O)=O
+O=S(=O)(c1ccc(cc1)-n2c3ncccc3c(C(O)=O)c2)C
+O=S(=O)(c1ccc(cc1)C#Cc2ncccc2)NCc3ccnc4c3cccc4
+O=S(=O)(c1ccc(cc1)C(CN(Cc2c(C)c3c(s2)C(=O)C(C(NCc4ccc(cc4)Cl)=O)=CN3C)C)O)N
+O=S(=O)(c1ccc(cc1)C)NC(C(Cl)=O)C
+O=S(=O)(c1ccc(cc1)C)OC(CC=Cc2cncc(OC)c2)C
+O=S(=O)(c1ccc(cc1)C)OCCOC2CC3CC(O)C4C5CCC(C5(C)C(CC4C3(CC2)C)O)C(CCC(OC)=O)C
+O=S(=O)(c1ccc(cc1)C)n2cc(C(C)=O)cc2
+O=S(=O)(c1ccc(cc1)C)n2cc(c3cc(cnc23)-c4ccccc4)-c5ccc(c(c5)F)OC
+O=S(=O)(c1ccc(cc1)C)n2ccc3c(Cl)c(cnc23)C(=O)O
+O=S(=O)(c1ccc(cc1)C=CC(=O)OC)N(Cc2ccc(cc2)OC)C
+O=S(=O)(c1ccc(cc1)C=O)NC
+O=S(=O)(c1ccc(cc1)CN(Cc2ncc[nH]2)Cc3nccn3C)NCCCCN(C)C4CCCCC4
+O=S(=O)(c1ccc(cc1)Cl)C23CCC(CC2COc4c(F)ccc(F)c34)OCCN
+O=S(=O)(c1ccc(cc1)F)c2c(O)ccc(Oc3c(cc(cc3Cl)N)Cl)c2
+O=S(=O)(c1ccc(cc1)N2C(=O)C(N3CCc4c3ccc(F)c4Cl)CC2)Cl
+O=S(=O)(c1ccc(cc1)N2C(C=CC(c3cc4CCN(CCc4cc3)C5CCC5)=N2)=O)C
+O=S(=O)(c1ccc(cc1)NC(=O)CC2CCN(CC2)CCO)C
+O=S(=O)(c1ccc(cc1)NC(=O)Nc2cccc(C(=N)OC)c2)NCc3c(c(ccc3F)F)F
+O=S(=O)(c1ccc(cc1)NC(c2ccccn2)=O)Nc3c(cccc3)Cl
+O=S(=O)(c1ccc(cc1)NCC2CCCC2)C
+O=S(=O)(c1ccc(cc1)Nc2nc(c(F)cn2)-c3cnc(n3C)C)C
+O=S(=O)(c1ccc(cc1)O)NCC(N2CCN(CC2)C(OCc3ccccc3)=O)C(OC)=O
+O=S(=O)(c1ccc(cc1)OC)c2c(cc(cc2Cl)Nc3nnc(N)[nH]3)Cl
+O=S(=O)(c1ccc(cc1-c2nc(N3C(C)COCC3)nc(-c4ccc(cc4)NC(NCCF)=O)c2)F)C
+O=S(=O)(c1ccc(cc1Cl)C#N)N(CCCNC(=O)C(NC(=O)c2cc3ccccc3s2)CC(C)C)C
+O=S(=O)(c1ccc(cc1Cl)Cl)Nc2cc(Cl)c(c(c2)Cl)Oc3cnc4ccc(cc4c3)C(=O)O
+O=S(=O)(c1ccc(s1)S(=O)(=O)CCCc2cc(c(O)cc2)CN(C)C)N
+O=S(=O)(c1ccc2C(C)(C)CNc2c1)CC
+O=S(=O)(c1ccc2CCC(Oc2c1)CNCC(=O)NC)c3cc(ccc3)F
+O=S(=O)(c1ccc2CCCC(=O)c2c1)c3ccccc3
+O=S(=O)(c1ccc2c(c1)CC(C)(C)C(c3cccc(N)c3)N2)C
+O=S(=O)(c1ccc2c(c3cc(ccc3s2)S(=O)(=O)NC)c1)Nc4ccccc4S(=O)(=O)N
+O=S(=O)(c1cccc(-c2nc(nc(NCCc3ccc(cc3)OC)c2)OC)c1)NCC
+O=S(=O)(c1cccc(-c2sc(cc2)-c3nn(C)cc3-c4ccccc4Cl)c1)C
+O=S(=O)(c1cccc(OC)c1)NCCCO
+O=S(=O)(c1cccc(c1)C(O)=O)NCCC(=O)OCC(N(CCC)CCC)=O
+O=S(=O)(c1cccc2c3NC(=O)C(=O)Nc3cc(N)c12)N
+O=S(=O)(c1cccc2ccccc12)c3n[nH]c4ccc(OC5CCN(C)C5)cc34
+O=S(=O)(c1cccc2cccnc12)n3cc(-c4ccc(c(c4)OC)OC)c5ccccc35
+O=S(=O)(c1cccc2nsnc12)Nc3c(C(=O)NCC(c4cc(Cl)c(cc4)Cl)C)cc(Cl)cc3
+O=S(=O)(c1ccccc1)N2CCN(CC2)CCOc3cc(Nc4c5c(nc(C)c4)cccc5)ccc3
+O=S(=O)(c1ccccc1)Nc2c(C(=O)O)cc(cc2)CC
+O=S(=O)(c1ccccc1)Nc2c(ncc(-c3ccc4c(c3)N(Cc5ccccc5)C(CO4)=O)c2)Cl
+O=S(=O)(c1ccccc1)c2cc3c(cc2)C(CCC3)CN=C(N)N
+O=S(=O)(c1ccccc1)n2c(CBr)c(cc2)C(=O)OCC
+O=S(=O)(c1ccccc1)n2c3c(c(C4=CCN(C)CC4)c2)cc(C#N)cc3
+O=S(=O)(c1ccccc1)n2cc(CO)c3ccccc23
+O=S(=O)(c1ccccc1Cc2c3cc(F)ccc3n(c2C)CC(OC)=O)Nc4ccccc4
+O=S(=O)(c1ccccc1Cl)NCC2=CC(=O)C(O)=C(C(O)=O)N2C
+O=S(=O)(c1ccccc1[N+](=O)[O-])OCC(=O)N2CC(CC2C#N)F
+O=S(=O)(c1cccs1)N2CCN(CC2)c3sc(cn3)C(OC)=O
+O=S(=O)(c1cccs1)Nc2cccc(-n3c4ccc(C(=O)NCc5cnccc5)cc4nc3)c2
+O=S(=O)(c1ccsc1C(OC)=O)N(C)CC(O)c2ccc(cc2)F
+O=S(=O)(c1cnc(C=Cc2c(F)cccc2)cc1)c3ccccc3F
+O=S(=O)(c1cnc(cc1)OCCCC2CCN(CC2)c3nc(no3)C(C)C)C
+O=S(=O)(c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1)N
+O=S(=O)(c1csc(c1C)C(=O)Nc2ccccc2C(O)=O)Nc3ccc(cc3)I
+O=S(=O)(c1n(CC(=O)NC2C3SCC(COC(C)=O)=C(C(O)=O)N3C2=O)ccn1)C
+O=S(=O)(c1n(ncc1C(N=[N+]=[N-])=O)C)N
+O=S(=O)(c1nc(C)c2C=CC(N(C(C)C)c2n1)=O)C
+O=S(=O)(c1nc2nc(C)cc(n2n1)Cl)Nc3c(cccc3Cl)Cl
+O=S(=O)(c1ncn(C)c1)N2CCC(CC2)C3NCCc4cc(ccc34)OC
+O=S(=O)(c1sc(cc1)Cl)Nc2c3c(cccc3F)n(Cc4cc(C#N)ccc4)n2
+O=S(=O)(c1sc2ccc(cc2c1)CS(=O)CCN(C)C)N
+O=S(=O)(c1sccc1)N(C)c2ccc(Cl)c3cc(C(OCC)=O)n(COC)c23
+O=S(=O)(c1sccc1Br)n2cccc2
+O=S(=O)(n1c(-c2ccccc2)cc(c1)C=O)c3c(nccc3)Cl
+O=S(=O)(n1c(C)c(c(C)n1)-c2ccc3n(c(cn3)C(Nc4c(C)ccc(-c5noc(n5)C)c4)=O)c2)C
+O=S(=O)(n1c2ccc(-c3nnc(o3)CC(C)C)cc2c(I)c1)c4ccc(cc4)C
+O=S(=O)(n1c2ccccc2cc1C=CC(O)=O)c3ccc(cc3)Br
+O=S(=O)(n1cc(c(F)c1-c2ccccc2)CNC)c3cnccc3
+O=S(=O)(n1cc2c3c1cccc3CN(C)CC2)c4ccccc4
+O=S(=O)(n1ccc2c1cccc2)c3cc(C=O)c(cc3)Br
+O=S(=O)(n1ncc(c1)C=O)c2ccc(cc2)C
+O=S(C)CCOc1cccc(CO)c1
+O=S1(=O)C2(CC(=O)N(CCCCBr)CC1)C(CCCC2)Cc3ccccc3
+O=S1(=O)CCC(CC1)CCBr
+O=S1(=O)CCC(Nc2c(C)c(C)nc(NCc3ccccn3)n2)C1
+O=S1(=O)CCCN1c2ccc(cc2)-c3c(c4c(cc(OCCN5CCOCC5)cc4)n3CC)C#N
+O=S1(=O)CCCN1c2ccc(cc2)NC(=O)C(CCC)Oc3cccc(-c4noc(n4)C)c3
+O=S1(=O)CCN(CC1)c2c(cc(cc2F)NC(=O)OCC(C)C)F
+O=S1(=O)CCN2CCCC(c3ccc(cc3)Oc4ccc(F)c(C)c4)C2=N1
+O=S1(=O)CCc2ccsc12
+O=S1(=O)N(C)CC2(CC(N(Cc3cccc(OC(C)C)c3)CC2)C)N1c4cccc(F)c4
+O=S1(=O)N(CC(CN)C1)CC
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(OC(C)C)ccc13)C
+O=S1(=O)N(c2ccc(cc2)OC)c3ccccc3CN1CCCCl
+O=S1(=O)N=C(C2=C(C3C(N(Cc4ccc(cc4)F)C2=O)C5CCC3C5)O)Nc6ccc(C#N)cc16
+O=S1(=O)N=C2C(c3ccc4c(ccc(c4)OC)c3)CCCN2CC1
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCN(C(=O)c4cc(ncc4)-n5ccnc5)C3)C(N)=N1
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCN(C(CC(C)C)=O)C3)C(N)=N1
+O=S1(=O)c2c(C(c3ccccc3)NC(CC)(C1)CCCC)cc(c(CCCNCCS(=O)(=O)O)c2)OC
+O=S1(=O)c2c(cc(C(=O)c3cnn(CC)c3OS(=O)(=O)CCC)c(C)c2C(C(C)(C)C1)=O)C
+O=S1(=O)c2cc(Cl)ccc2NC(=N1)C3=C(c4c(cccc4)N(CCC(C)C)C3=O)O
+O=S1(=O)c2cc(ccc2N=C(C3=C(C4C(CCC4)N(Cc5cc(C)c(cc5)F)C3=O)O)N1)NS(=O)(=O)C
+O=S1(=O)c2ccc(-c3ccc(cc3)N4CCCCC4)cc2C=C(C(=O)O)CC1
+O=S1(=O)c2ccc(cc2C(c3c1cc(cc3)C=4NCCN=4)=O)F
+O=S1(=O)c2ccc(cc2C=Cc3ccc(cc13)C(O)=O)[N+](=O)[O-]
+O=S1(=O)c2ccccc2-c3c(c4nccnc4cc3)N1
+OB(O)CCCCn1cnc2c1nc(N)nc2O
+OB(O)c1c(C)c(OCOC)ccc1
+OB(O)c1c(CC)cc(cc1CC)-c2ccc(cc2)Cl
+OB(O)c1c(OCCC)c(cc(C(C)C)c1)C(C)C
+OB(O)c1cc(F)cc(F)c1SC
+OB(O)c1cc(c(cc1)S(=O)(=O)C)F
+OB(O)c1cc(cc(C(O)=O)c1)N=C=S
+OB(O)c1cc2ccc(Cl)cc2cc1
+OB(O)c1ccc(C#N)c(c1)OC
+OB(O)c1ccc(c(OCC)c1)Cl
+OB(O)c1ccc(cc1)C#Cc2ccccc2
+OB(O)c1ccc2cc(ccc2c1)-c3c4ccccc4c5ccccc5c3
+OB(O)c1cccc(c1)-c2cc3ccccc3cc2
+OB(O)c1ccnc2[nH]c(C)cc12
+OB(O)c1ccnc2n(ncc12)-c3ccc(F)cc3Cl
+OC(C#CC(c1ccc2c(OCO2)c1)=O)=O
+OC(C(=O)OC)CCCN
+OC(C(C)c1ccc2NC(=O)Nc2c1)=O
+OC(CN(CC(O)=O)CCNCC(=O)O)=O
+OC(COCCCC)COCC(CCCC)CC
+OC(c1c(cc2c(c1)CCC2)N)=O
+OC12C(C(CC=NOCCN)CC1)(C)CCC3C2CCC4C3(CCC(O)C4)C
+OC1C(O)CN(C1)C(=O)CNC(=O)c2[nH]c3ccc(Cl)cc3c2
+OCC(CO)c1ccc(cc1)Oc2ncnc(c2C)OC3CCN(CC3)c4ncccn4
+OCC1C(C(C(C(N(CC=C)C(=O)N(N=O)CCCl)O1)O)O)O
+OCCNC(=O)c1nc(c2c(c1O)cccc2)Cl
+OCc1ccc(C)c(-c2ncccc2)n1
+OP(O)(=O)CC(C)=CCc1c(c2C(OCc2c(c1OC)C)=O)O
+OP(O)(=O)CCN=[N+]=[N-]
+OP(O)(=O)COCCOn1c2c(nc1)c(ncn2)N
+OP(O)(=O)Cc1cc(C=O)ccc1O
+OP(O)(c1cc(ccc1)N)=O
+OP(O)CC(CN)c1ccc(cc1)OC
+Oc1c(CNC(C(=O)OCC)CO)cccc1
+Oc1c(CNc2cncc(OC)n2)cccc1
+Oc1c(c(c2c(n1)nc[nH]2)N)-c3nc4c([nH]3)cccc4
+Oc1c(ccc(C(CCC(=O)O)=O)c1)O
+Oc1c(cccc1NN=C2C(=O)N(c3ccc4CCCc4c3)N=C2C)-c5ccc(C(=O)O)o5
+Oc1c2sccc2c3c(Br)c(OC)c(c(c3n1)F)F
+Oc1cc(C)c(c2c1CCC2)OC
+Oc1cccc(O)c1NC(=O)c2ccccc2
+S(C)c1cc(c(Cl)cc1N)OC
+S(C)c1cc(c(cc1Cl)Br)N=C=O
+S(C)c1cc(ccc1Cl)Nc2c3c(n(C4C(C#N)CCOC4)n2)ccnc3O
+S(C)c1ccc(O)cc1Cl
+S(C)c1nnc(CCCC=O)n1C
+S(C1C(CO)OCCC1)CCCCCCCCCCCCCCCC
+S(CC)C(c1sc2c(Cl)cccc2c1)=O
+S(CCN)Cc1oc(cc1)CO
+S(CCOc1ccccc1NNC(=O)OC)C
+S(c1c2c(nc(c1)C=O)c3c(c(OC)c2)cccn3)C
+S(c1cc(Oc2c(nccc2)CC)c(N)nc1)c3ccccn3
+S(c1ccc2CCCC(=CC#N)c2c1)C
+S1c2cccc(c2C(c3c1ccc(C)c3)=O)C(=O)OCCCCCCCCCCCC
+S=C1N(CCCN1c2c(Cl)cccc2C)CC
+S=C1N(c2[nH]cnc2C(=O)N1)c3cc(CC)ccc3
+Sc1nccc(SC)c1C
+[N+]([O-])(=O)C([N+]([O-])=O)(C)COCC1OC1
+[N+]([O-])(c1cc(cc(c1N)CC)[N+]([O-])=O)=O
+[N+](c1cc(CC#N)cc(Br)c1)([O-])=O
+[N+](c1cc(c(c(F)c1)F)C23C(C(CF)OC2)CSC(N)=N3)([O-])=O
+[N-]=[N+]=NC(C)C(Nc1cccc(C(=O)C)c1)=O
+[N-]=[N+]=NC(C)Cn1c-2c(cc1)Cc3ccc(Cl)cc-23
+[N-]=[N+]=NC(CC)CCCCCC
+[N-]=[N+]=NC(c1noc(c1)-c2cc(F)ccc2)=O
+[N-]=[N+]=NC1CC(OC1CO)n2cnc3c2nc(nc3OCC)N
+[N-]=[N+]=NC1CCc2c(C1)c(NC(C)=O)c(cc2Br)[N+]([O-])=O
+[N-]=[N+]=NC1CCc2c(ccc(c2)C(NO)=N)C1O
+[N-]=[N+]=NCC(O)C(CC(=O)C)OC(C)=O
+[N-]=[N+]=NCC1C2NC(CC2)C1
+[N-]=[N+]=NCC1OCN(C1)c2ccc3C(N4C(=Nc3c2)C(c5cc(ccc45)F)=O)=O
+[N-]=[N+]=NCCCC1NC(c2[nH]c3c(cc(OC)cc3)c2C1)=O
+[N-]=[N+]=NCCCCC#C
+[N-]=[N+]=NCCCCCC=O
+[N-]=[N+]=NCCOCCOc1ccc(C=O)c(c1)O
+[N-]=[N+]=NCc1c(ccc(CC(=O)O)c1)O
+[N-]=[N+]=NCc1cc(nc(C)c1)Br
+[N-]=[N+]=NCc1ccc2c([nH]cn2)c1
+[N-]=[N+]=Nc1c2c(nc(-c3cc(F)ccc3)c1)ccc(c2)Br
+[O-][N+](c1cc(cc([N+]([O-])=O)c1)N(C(C)=O)CC)=O
+[O-][N+](c1cc2nc(sc2cc1)SCC(N3CCCc4ccccc34)=O)=O
+[O-][n+]1cc(F)c2nc(-c3c(F)cccc3Cl)sc2c1
+[nH]1c(-c2nccnc2N)nc3c1cccc3
+[nH]1c(C(NC2CCN(CC2n3nncc3)c4sc(cn4)C(=O)O)=O)c(Cl)c(c1C)Cl
+[nH]1c(C(NC2CN(c3cccc(C(=O)O)c3)C2=O)=O)c(Cl)c(c1C)Cl
+[nH]1c(CCCCCCC(OC)=O)nc2cc(ccc12)Br
+[nH]1c(nc2c(F)cccc12)NC
+[nH]1c(nc2c1N(C(N(C2=O)CC)=O)CCCC)Cl
+[nH]1c2c(ncc(-c3cccc(Nc4ncnc5ccccc45)c3C)c2c6ccc(OCCOC)cc16)C(N)=O
+[nH]1c2cccc3C4=CC(CN(C)C4Cc(c23)c1)C(N(CC)CCC(OCC)=O)=O
+[nH]1c2cccc3c2c(CC4N(CC(N)CC34)CCC)c1
+[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12
+[nH]1cc(c2c(-c3ccc(C)cc3C)ccnc12)C#N
+[nH]1cc(c2c1ncnc2Cl)C#N
+c1(-c2c(cccc2)F)c(cc3NC(Nc3n1)=O)-c4c(cncc4)F
+c1(-c2cc(C)ccc2)ccnn1-c3nccc(C#N)c3
+c1(-c2cc(cc(-c3ncccc3)n2)OCC)ncccc1
+c1(-c2ccc(c(OCC)c2)OCC)onc(n1)-c3c4CCNc4ccc3
+c1(-c2ccccc2O)nc3ccccc3c(Cl)n1
+c1(-c2ccsc2)cc(cc(c1)N3C(CNCC3)C)F
+c1(-c2cn3CCCCc3n2)cc(OC)c(-c4ncccc4)cc1
+c1(-c2cnccc2)nc(Oc3cccc(C#N)c3)c(N)cn1
+c1(-c2n(Cc3nc4ccccn4c3CCC)ccn2)cc(ccc1)C#N
+c1(-c2nc(F)ccc2)n(Cc3c(CCC)c4n(ccn4)c(C)n3)ccn1
+c1(-c2ncon2)cc3nc(-c4c(Cl)ccc([N+]([O-])=O)c4)[nH]c3cc1
+c1(-c2nnnn2C)cc(ccc1)CCl
+c1(-c2noc(n2)C)cc(ccc1)C(=O)OC
+c1(-n2cc(nc2)CO)c(cc(cc1)Nc3nc(nc(Cl)n3)OC)OC
+c1(Br)c2n(cc(n1)C(=O)N)cc(C)n2
+c1(Br)cc-2c(cc1)C(C(c3ccc(cc-23)Cl)=O)=O
+c1(Br)sc2c(ccs2)c1C
+c1(C#N)cc(C#N)c(O)cc1
+c1(C(=O)NCC2N(CC2)C(=O)CO)cc(F)c(nc1NCCc3cccc(F)c3)-c4cnn(C)c4
+c1(C(=O)O)c2c(nc(NC(c3cc(ccc3)C#N)=O)n2CCCOC)ccc1
+c1(C(=O)O)ccc(OCCCCCCc2c(c(OC)ccc2)OC)cc1O
+c1(C(=O)OC)cc([N+]([O-])=O)ccc1COC
+c1(C(C(N)CO)C)[nH]cnc1
+c1(C(NCCCCCC)=O)cc(ccc1O)O
+c1(C(NCc2cc3c([nH]c(C(=O)OC)c3)nc2)=O)c(C)ccc(N)c1
+c1(C(Nc2cc(ccn2)-c3c(nc4cccnn34)-c5cc(c(cc5)F)C)=O)ccnc(C)c1
+c1(C(O)=O)nn(CCCCC)c2ccccc12
+c1(C(c2cc(C(=O)O)ccc2)=O)c(C)cc(cc1)OCCCCCC
+c1(C)c(N)cc(CCO)c(Cl)c1
+c1(C)c(N)cc(c([N+]([O-])=O)c1)F
+c1(C)c(OC)c(Cl)c(CO)nc1
+c1(C)c(cc(c(Oc2ccc(cc2F)F)c1)Br)N
+c1(C)c(ccc(C#N)c1)O
+c1(C)cc(cc(C)c1)C=C(C(O)=O)c2ccc(cc2)Oc3ccc(cc3)C=C4SC(=O)NC4=O
+c1(C)cc(cc(C)c1)NC(c2cccnc2SCc3ccnc(c3)N4CCN(CC4)C)=O
+c1(C)cc(cc(C)c1)Nc2nc(ccn2)-c3c(-c4ccccc4)sc(n3)N
+c1(C)cc(cc(C)c1-c2c(c(CNc3ccc4C(CC(=O)OC)C5(CC5)Cc4c3)ccc2)C)OCC6COC(C)(C)O6
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+c1c(ccc(Cl)n1)S(c2c(F)cccc2)=O
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+c1c(ccc(c1C(OCCCCCCCCOC(C2CCCO2)=O)=O)O)O
+c1c(ccc(c1Cl)Cl)CCCC=O
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+c1c(ccc2nc(-c3ccc(N)c(I)c3)sc12)O
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+c1c(cccc1-n2c(ncc2)C)Nc3ccn4c(n3)c(cn4)C=C5SC(NC5=O)=O
+c1c(cccc1CCCCOCCCCCCBr)NC(N)=O
+c1c(cccc1Nc2nc(ccn2)-c3c(-c4cc(NC(c5ccccc5OC)=O)ccc4)nn6ccccc36)F
+c1c(cccc1O)Sc2c(cc(C)cc2)Nc3ccnc4nc(C)ccc34
+c1c(cn[nH]1)N2C(=O)c3c(cc(cc3C)-c4cnc(OC)c(OC)c4)C2
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+c1c-2c(C(CC)c3c(cccc-23)C)c(C)cc1C
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+c1c2C(c3ccccc3C(N(C)c2cc(OCCCCNc4ncccc4)c1)=O)CC(=O)O
+c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC
+c1c2CC3CCC(N)(CC3Cc2ccc1)CN
+c1c2CCC(C(N)=O)Oc2c3ccccc3c1
+c1c2CN(CCOc2ccc1C(CCCl)=O)C=O
+c1c2COC(Nc2ncc1C=CC(N(Cc3n(c4c(cccc4)c3)C)C)=O)=O
+c1c2N(C(=O)N(C(c2n[nH]1)=O)C)CCCC
+c1c2NC(CCc2cc(C#N)c1)=O
+c1c2NC(CCc2cc(c1)Nc3nc(NC(CC)C(N)=O)cnc3C(=O)N)=O
+c1c2OCCOc2cc(OC)c1C=O
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+c1c2c(CCN2)c(C)cc1
+c1c2c(NC=3CCCC(=O)C=3C2c4oc(Sc5[nH]c6c(n5)cc(Cl)c(c6)Cl)cc4)c(C(OCC)=O)[nH]1
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+c1c2c(c(ncn2)O)ccc1OCCCO
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+c1c2c(c3ccccc3c4cccc(C(C)=O)c24)ccc1
+c1c2c(cc(-n3ccnc3)c1[N+]([O-])=O)NC(=O)C(N2O)=O
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+c1c2c(ccc1OC)nc3c(c2)c(n[nH]3)N
+c1c2c(ccc1OCCCN(CCO)CCOC)c(Nc3cc([nH]n3)CC(Nc4cccc(c4)F)=O)ncn2
+c1c2c(ccc1OCCCl)C(CC2)C(OC)=O
+c1c2c(cccc2ccc1F)Cn3c4ccc(cc4c(CC(OCC)=O)c3C(OCC)=O)F
+c1c2c(nc(-c3cc(c(CC#N)cc3)-c4cc(ccc4)C#N)o2)ccc1
+c1c2c(nc(-c3cc4c(c5c([nH]4)cccc5)cc3)o2)ccc1
+c1c2c(sc3c2cc(cc3)C(=O)O)ccc1
+c1c2cc(C)c(cc2ccc1)C(C#N)C
+c1c2cc(OC)ccc2[nH]c1C(=O)N3c4c(C(CCl)C3)c5cccnc5c(O)c4
+c1c2cccnc2ccc1C(c3n(C)cnc3)(c4ccc5nc(nc(-c6cc(ccc6)Cl)c5c4)Cl)O
+c1c2n(CC)cc(c2ccc1OCC)C#N
+c1c2n(ccn2)ccc1OCCOC
+c1c2n3c(c(C(O)=O)cn3)c(OCC)nc2ccc1
+c1c2nc(cc(Cl)c2ccc1OC)COC(C)=O
+c1c2ncc(n2ccc1OCCOC)C(=O)O
+c1c2ncccc2ccc1OCCCNCC3Oc4c(OC3)ccc(c4)O
+c1c2ncn(c2ccc1)-c3ccc(C(=NOC)CCCC)s3
+c1c2ncn(c2ccc1)-c3sc(C(CCCC)O)cc3
+c1c2ncn(c2ccc1)C=3C4(C)CCC5C6(C)C(CCC5C4CC=3C=O)CC(CC6)OC(=O)C
+c1c[nH]c2ccc(cc12)-c3c(C)sc(n3)NC(=O)Cc4ccc5OCOc5c4
+c1cc(-c2[nH]c(c(C(N)=O)c2Cl)NC(N)=O)cc3c1cccc3
+c1cc(-c2c(C)ccc3c2ccnc3NCc4cc(OC)c(cc4)OC)cc5c1nc(NC)nc5
+c1cc(-c2oc(-n3c(ncc3)C)nc2CCCCOc4c(C)cccc4)c5c(cccc5)c1F
+c1cc(-n2c3c(c(c2C(N)C)Cl)cccc3)cc(c1)F
+c1cc(-n2cnc(CN)c2)ncc1Br
+c1cc(-n2nccc2)cc(c1C#N)O
+c1cc(Br)nc(c1OCCCBr)N
+c1cc(C#N)c(Cl)cc1CC(OC)=O
+c1cc(C#N)cc2C(c3nc4CCNCc4cc3)C(=O)Nc12
+c1cc(C(C)C(=O)OCC)cc2c1SCc3c(cccc3)C2=O
+c1cc(C2=CC=C([Se]2)CCC)c(c(F)c1OCC)F
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+c1cc(CNc2c(cnc(N3C(CO)CCC3)n2)C=O)cc(Cl)c1OC
+c1cc(CNc2c3cc(C#N)ccc3nc4CN(C(=O)c24)CC)cc(Cl)c1OC
+c1cc(CO)cc(c1)CC(O)=O
+c1cc(CO)cc2CNCc12
+c1cc(COC2=C(Br)C(N(C(=C2)C)c3c(C)ccc(c3)C(NC)=O)=O)c(cc1F)CNC(OC)=O
+c1cc(Cl)c(c(Cl)c1OC(C)C(Cl)=O)C
+c1cc(F)c(c(F)c1OCc2nc3cc(ccc3s2)CCC)C(=O)N
+c1cc(I)c(Cl)cc1CBr
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+c1cc(N2C(c3c(OC)ncc(c3)F)CCC2)nc4c(C(NCC(CO)O)=O)cnn14
+c1cc(NC(CC(Nc2ccccc2OC)=O)=O)cc(c1Oc3ccnc4cc(sc34)-c5ncn(CCC)c5)F
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+c1cc(NCCNc2cc(-c3ccc(Cl)cc3Cl)c(cc2)[N+]([O-])=O)nc(N)c1[N+](=O)[O-]
+c1cc(O)c(cc1C2C(CC(OC)=O)C2)F
+c1cc(OC)cc(OC)c1C(CCCCC)CC(Cl)=O
+c1cc(OCCBr)c(N)cc1Br
+c1cc(OCCc2sc(Br)cc2)cc(C)c1OCC(OCC)=O
+c1cc(Oc2ccnc(n2)N)cc3CCNc13
+c1cc([N+]([O-])=O)cc(-c2c(c(cc(C(CC(O)=O)C(=O)O)c2)-c3nc4c([nH]3)ccc(C(=N)N)c4)O)c1
+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c(n(C4CCCCO4)nc3)cc2Br
+c1cc(c(-c2coc(n2)CCCC(=O)O)cc1)N
+c1cc(c(C)c(n1)CSc2nc3ccccc3[nH]2)OCCCC
+c1cc(c(CC)c2c[nH]nc12)Br
+c1cc(c(CNc2cc(c(Cl)cc2)NC3=C(C(=O)CCC3)C)cc1)C
+c1cc(c(F)c(Nc2c(F)cc(cc2)CCCO)c1C(=O)NOCCO)F
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+c1cc(c(NC(Cc2c(cccc2)-n3nnnc3)=O)c([N+]([O-])=O)c1)O
+c1cc(c(c(F)c1F)COc2cc(c(Cl)cc2OC)Nc3c(c(ncn3)OCC)[N+]([O-])=O)OC
+c1cc(c(c(F)c1OCC(=O)O)NCc2c(c(cc(-c3cc(F)ccc3)c2)C)O)F
+c1cc(c(c(F)c1OCCOC)C#N)I
+c1cc(c(c2C(C(=O)Nc12)=NNC(=O)Cc3ccc(c(Cl)c3)O)Cl)C(=O)O
+c1cc(c(cc1)OC)OCCNCC(O)COc2c3c4c(cccc4)[nH]c3ccc2
+c1cc(c(cc1-c2n(c(c(C#N)c2Cl)Cl)COCC)Cl)Cl
+c1cc(c(cc1C(C(C)NC)CC=C)Cl)Cl
+c1cc(c(cc1C(CCc2noc(C)n2)=NOC)Cl)Cl
+c1cc(c(cc1CN2C(CCNc3nc4c(c(O)c3)cccc4)CCCC2)Cl)Cl
+c1cc(c(cc1Cn2c3cccc(NC(=O)CCl)c3cc2C(=O)OCC)Cl)Cl
+c1cc(c2c(c(C)co2)c1OCC=C)C(=O)c3sccc3
+c1cc(c2c(sc3ccccc23)c1OC)[N+]([O-])=O
+c1cc(c2c3c(n(c2c1)Cc4c5ccccc5ccc4)cccc3OCC(O)=O)C(=O)N
+c1cc(cc(-c2ncnc3c2cc(C4=CCNCC4)[nH]3)c1OC)F
+c1cc(cc(Br)c1OC)OCCOC
+c1cc(cc(C#N)c1OCC2CO2)CCCC(OCC)=O
+c1cc(cc(C)c1OC)CCCC(=O)O
+c1cc(cc(C)c1OC)CCN
+c1cc(cc(Cl)c1)C2(c3cc(Cl)ccc3)C4C(C(=O)CC2)CN(C4)C(=O)OC=C
+c1cc(cc(F)c1CSc2ccc(OC)c(Cl)c2Cl)F
+c1cc(cc(I)c1OC=C)CCCO
+c1cc(cc(OC(C)=O)c1OC)C(CBr)=O
+c1cc(cc(OCCC)c1OC)CBr
+c1cc(cc([N+]([O-])=O)c1OCCCNC(C)=O)F
+c1cc(cc(c1)-c2c(nc3c(n2)c(Cl)ccc3)CBr)F
+c1cc(cc(c1)-c2nnc(o2)-c3cc(OC)ccc3)I
+c1cc(cc(c1Cl)Cl)N=C(N)Nc2nc(cc(n2)C)NC3CN(CC)CCC3
+c1cc(cc(c1OC)-c2cc([N+]([O-])=O)ccc2)CCN3C=CC=CC3=O
+c1cc(cc2CCNc12)OCCCCN(CC=C)C
+c1cc(cc2c1C(CBr)=C(c3cnc(OC)nc3OC)C(=O)O2)OC
+c1cc(cc2c1CCCC2Nc3cc(OCC(=O)O)ccc3)-c4cc(ccc4)F
+c1cc(cc2ccnn12)OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3
+c1cc(ccc1)-c2[nH]c3c(c2C4CCN(CC4)C)cccc3
+c1cc(ccc1)-c2[nH]c3c4c(ccc3)C(NC(CN)=O)CCc24
+c1cc(ccc1)-c2[nH]nnc2-c3c4c(nc(OC)c(OC)n4)cc(Cl)c3Cl
+c1cc(ccc1)-c2c(Br)c(Cl)nc(n2)N
+c1cc(ccc1)-c2c(C(=O)Nc3ccc(cc3)S(=O)(=O)N4c5ccccc5SC(C=C4)CCS(=O)(=O)C)cccc2
+c1cc(ccc1)-c2c(C=O)cc(cc2)Br
+c1cc(ccc1)-c2c(COc3ccc(cn3)C(NC(CO)C)=O)c(on2)C
+c1cc(ccc1)-c2c(CS(=O)C)c(c3c(cccc3)n2)C(NC(CC)c4ccccc4)=O
+c1cc(ccc1)-c2c(F)cc(cc2)-c3nc(Cl)c4cc(c(cc4n3)OC)OC(C)=O
+c1cc(ccc1)-c2c(N)nc3ccc(cn23)C(c4ccc(cc4)F)=O
+c1cc(ccc1)-c2c(c3c(C(CN(Cc4ccccc4)C3)C)n2Cc5ccccc5)C=NO
+c1cc(ccc1)-c2c(cc(C(C)c3cc(N)on3)cc2)F
+c1cc(ccc1)-c2c(nc3ccc(C(=O)N4CCN(CC4)C(C5CCCCC5)=O)cn23)C
+c1cc(ccc1)-c2c(nc3n2nc(Cl)c(C)c3C)-c4ccc(cc4)C5(CCC5)N
+c1cc(ccc1)-c2c(oc(n2)C)-c3ccc4n(c3)c(nn4)C(C)C
+c1cc(ccc1)-c2c(sc3c2ccc(c3)O)C(c4ccccc4)=O
+c1cc(ccc1)-c2c3c(-c4nnn(c4)Cc5ccccc5)nc(C(=O)NCC(=O)O)c(O)c3on2
+c1cc(ccc1)-c2c3c(N(C(=O)N(C3=O)C)C)cn2CC(OS(=O)(=O)C)C
+c1cc(ccc1)-c2c3c(cccc3)nc(-c4sc(CC(=O)N)cc4)c2
+c1cc(ccc1)-c2c3c(ncnc3oc2-c4ccccc4)NCCc5ccc(cc5)NC(Nc6ccccc6)=O
+c1cc(ccc1)-c2c3c(no2)cc(cc3)CC(=O)O
+c1cc(ccc1)-c2c3cc(Cl)cc(NC4CCOCC4)c3[nH]c2
+c1cc(ccc1)-c2c3ccccc3nc(Nc4ccc(cc4)C(Nc5c(ccc(c5)NC(=O)CN(C)C)C)=O)n2
+c1cc(ccc1)-c2c3cccnc3ccc2N
+c1cc(ccc1)-c2c3snc(-c4c(cccc4)F)c3c(O)c(C(=O)NCC(O)=O)n2
+c1cc(ccc1)-c2cc(C#Cc3ccccc3)c(OC)cc2
+c1cc(ccc1)-c2cc(C(=O)O)c[n+]([O-])c2
+c1cc(ccc1)-c2cc(N3CCNCC3)nnc2C#N
+c1cc(ccc1)-c2cc(NC(C)CCCN(CC)CC)c3c(cccc3)n2
+c1cc(ccc1)-c2cc(cc(-c3ccccc3)c2O)S
+c1cc(ccc1)-c2cc(ccc2)C(CC(=C)C)C(O)=O
+c1cc(ccc1)-c2cc(ccn2)C(C)C
+c1cc(ccc1)-c2cc3c(c(O)nnn3)s2
+c1cc(ccc1)-c2cc3c(ccc3)oc2CC(=O)NN
+c1cc(ccc1)-c2cc3ncnc(Nc4cc5c(c[nH]c5cc4)C)c3s2
+c1cc(ccc1)-c2ccc(C)c(CCl)c2
+c1cc(ccc1)-c2ccc(c(Cl)c2)C(=O)Nc3cc(CC(OCC)=O)ccc3
+c1cc(ccc1)-c2ccc(c3n(CCOC)c(nc23)-c4ccc(cc4)C(C)C)OC
+c1cc(ccc1)-c2ccc(cc2F)-c3noc(-c4ccc(cc4)CO)n3
+c1cc(ccc1)-c2ccc(cn2)-c3nc(CCOc4cc(C)c(CCC(O)=O)cc4)c(o3)C
+c1cc(ccc1)-c2cccc(CN)c2
+c1cc(ccc1)-c2cccc(c2)OCC(O)CN3CCc4c(C3)cccc4
+c1cc(ccc1)-c2ccccc2CN3CCN(CC3)c4cc(ccc4)C
+c1cc(ccc1)-c2cn(c3ccc(cc23)[N+](=O)[O-])CC
+c1cc(ccc1)-c2cnc3N(C(C(=C(O)c3c2)C(OCC)=O)=O)O
+c1cc(ccc1)-c2cnc3c(C(=COCC)C(=O)N3)c2
+c1cc(ccc1)-c2cnc3c(c2)C(C)(C)C(C)=N3
+c1cc(ccc1)-c2cnn(CC(NCCCN(CC)CC)=O)c2
+c1cc(ccc1)-c2cnn3cc(-c4ccc(cc4)CCC(=O)O)cnc23
+c1cc(ccc1)-c2csc3nc(nc(NCc4ncccc4)c23)N5CCCC(C(NCCO)=O)C5
+c1cc(ccc1)-c2n(nnn2)Cc3ccccc3
+c1cc(ccc1)-c2n[nH]c3c2cc(-c4cnn(C)c4)nc3
+c1cc(ccc1)-c2nc(-c3c(ccc(CCCN)c3)Cl)nc(OC)n2
+c1cc(ccc1)-c2nc(C(=O)Nc3ccccc3-c4sc5ncc(cc5n4)CN6CCCC6)sc2
+c1cc(ccc1)-c2nc(COc3cc4c(ccn4CC(=O)O)cc3)c(C)s2
+c1cc(ccc1)-c2nc(COc3ccc(cc3)Sc4nc(c(CCC(=O)O)s4)-c5ccccc5)c(C)o2
+c1cc(ccc1)-c2nc(NC)cc(-c3cnc4n3ccc(Cl)c4)c2
+c1cc(ccc1)-c2nc(NCC(C)C)c3n(ccn3)c2Br
+c1cc(ccc1)-c2nc(cc(c2)S(=O)(=O)c3ccc(cc3)N)N4CCCC4
+c1cc(ccc1)-c2nc(nc(-c3ccccc3)n2)-c4c(cc(OCCCCCC)c(c4)Cl)O
+c1cc(ccc1)-c2nc(nc(Cl)c2)-n3c4c(cccc4)c5ccccc35
+c1cc(ccc1)-c2nc(nnc2-c3cc4ccoc4cc3)N
+c1cc(ccc1)-c2nc(sc2)CC3(CCC3)COC(=O)NC(C(O)C(NC(c4ccccc4)C)=O)CCCC
+c1cc(ccc1)-c2nc(sc2C)S(=O)C
+c1cc(ccc1)-c2nc3c(cc(OC)c(c3)CNC4C(NCCC4)c5ccccc5)s2
+c1cc(ccc1)-c2nc3n(n2)ccc(NC(=O)c4n(Cc5ccccc5)ncc4C(O)=O)c3
+c1cc(ccc1)-c2ncc(c(-c3ccccc3Cl)n2)NC(Nc4ccccc4)=O
+c1cc(ccc1)-c2ncnc3ccc(C=C4C(=O)NC(=O)S4)cc23
+c1cc(ccc1)-c2nn(CC(=O)N3CCN(CC3)S(=O)(=O)C)c4c2c(c(nn4)-c5ccccc5)Cl
+c1cc(ccc1)-c2nnc3cccc(c3c2)C=O
+c1cc(ccc1)-c2noc(C)c2-c3oc(-c4ccc(-n5ccnc5)cc4OC)nn3
+c1cc(ccc1)-c2noc(c2-c3oc(nn3)-c4cc5ccn(C)c5cc4)C
+c1cc(ccc1)-c2noc3c(c(O)ccc23)CCC
+c1cc(ccc1)-c2oc(-c3ccc4nc(C)[nH]c4c3)nc2
+c1cc(ccc1)-c2oc(C)c(n2)COc3ccc(cc3)CON=C(C(O)=O)c4cnccc4
+c1cc(ccc1)-c2oc(c(n2)CCO)C
+c1cc(ccc1)-c2onc(n2)CCCCN3C(N(c4c([nH]c(Cl)n4)C3=O)CCCCC)=O
+c1cc(ccc1)-c2sc(C)c(n2)CCN
+c1cc(ccc1)-c2sc(c(C(NC)=O)n2)N
+c1cc(ccc1)-c2scc(n2)COc3c4c(cc(OC)c3)oc(c4)-c5cn6c(n5)sc(n6)OC
+c1cc(ccc1)-n2c(C(Nc3[nH]nnn3)=O)c(OC(C)C)c(Br)c2Br
+c1cc(ccc1)-n2c3c(cccc3)c(C=O)c2N4CCCCCC4
+c1cc(ccc1)-n2cc(C=Cc3nc(sc3C)N4CCOCC4)c(n2)OCOC
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4nc(-c5cc(C#N)ccc5)oc4C)cc3)OC)n2
+c1cc(ccc1)-n2cnc3cc4c(cc23)C(C)(C)C(C)(C)C4(C)C
+c1cc(ccc1)-n2nc(C(OCC)=O)cc2NC(c3cc(-c4c(ccc(n4)CC#N)Cl)ccc3Cl)=O
+c1cc(ccc1)C#CCOCCn2c(CCOC)nc3cnc4c(cccc4)c23
+c1cc(ccc1)C#Cc2c([nH]nc2-c3cccc(c3)F)N
+c1cc(ccc1)C#Cc2c(n[nH]c2N)C
+c1cc(ccc1)C#Cc2c(nc(-c3ccccc3)c(n2)C=4C=CC(N(N=4)C(C)C)=O)N
+c1cc(ccc1)C#Cc2cc(cc(NC(=O)C(N)C)n2)Cl
+c1cc(ccc1)C#Cc2ccccc2C(OC)C#Cc3ccc(cc3)OC
+c1cc(ccc1)C#Cc2ncc(N3C(=O)OC(C)(C)CC3)nc2
+c1cc(ccc1)C(=CC(NCCCCCCCCCC)=O)c2ccc(cc2)N
+c1cc(ccc1)C(=NOCc2nc(sc2)N)c3cncn3C
+c1cc(ccc1)C(=O)COc2ccc(cc2C)CC(N)=O
+c1cc(ccc1)C(=O)N(C)C(CCNC(=O)c2ccnc3ccccc23)Cc4ccccc4
+c1cc(ccc1)C(=O)N2C(C(=CN(C3CC(O)CCC3)C2=O)C)=O
+c1cc(ccc1)C(=O)N2C(N(C3CCCCC23)CCCCN4CCN(CC4)c5nsc6ccccc56)=O
+c1cc(ccc1)C(=O)N2CCN(CC2)C3(Cc4cccc(Cl)c4)c5ccc(cc5NC3=O)Cl
+c1cc(ccc1)C(=O)NC(n2c3c(cccc3)nn2)C(C)(C)Cc4ccccc4
+c1cc(ccc1)C(=O)NCCCN(CCCc2c3c(cccc3)[nH]c2)C
+c1cc(ccc1)C(=O)Nc2c(N=Cc3cc(OC)c(c(c3)OC)OC)ccc(N4CCCC4)c2
+c1cc(ccc1)C(=O)Nc2c3ccccc3c(S(=O)(=O)Nc4cc(OC)ccc4)cc2
+c1cc(ccc1)C(=O)OC2C(C)(C)C3=CCC4C(C3(C)CC2)CCC5(C(=CCC45)C(C)CCCC(C)C)C
+c1cc(ccc1)C(=O)Oc2c(-c3c(c(C)ccc3OC(=O)OCC)C)c(c(cc2)C)C
+c1cc(ccc1)C(=O)c2cc(C(=O)N3CCc4oc(cc4C3)CN(C)C)ccc2
+c1cc(ccc1)C(=O)c2ccc(C(Nc3cc(C=CC(=O)O)ccc3)=O)o2
+c1cc(ccc1)C(=O)c2nc(on2)CS(=O)c3ccccc3
+c1cc(ccc1)C(C(O)C2CCCCC2)CCN3CCN(CC3)c4ccccc4OC
+c1cc(ccc1)C(C(OC)=NC(C)(C)Cc2cc3OCOc3cc2)=O
+c1cc(ccc1)C(C(OC)=O)C2CCN(CC2)c3ncccn3
+c1cc(ccc1)C(C)(C)NC(=O)c2cc3c(n(C(=O)OCC)nc3NC(=O)c4ccccc4N)s2
+c1cc(ccc1)C(C)(C)c2cc(C(C)(C)c3ccccc3)c(O)c(c2)-n4nc5c(n4)cccc5
+c1cc(ccc1)C(C)(CN(C)S(=O)(=O)c2ccccc2)CC=C(C)C
+c1cc(ccc1)C(C)N2C(CC(C2)CC(CF)C)=O
+c1cc(ccc1)C(C)N2CCOC(C2)c3ccc(cc3)C=O
+c1cc(ccc1)C(C2CC(=O)N(C2)C(C)c3ccccc3)N=[N+]=[N-]
+c1cc(ccc1)C(CC(OCC)=O)Nc2c(ccc(C#N)n2)N
+c1cc(ccc1)C(CC=C)(COC)C
+c1cc(ccc1)C(CCc2ccc(cc2)C(=O)O)=O
+c1cc(ccc1)C(CNCCO)Nc2cc(-c3ccc4c(c3)c(F)[nH]n4)cnc2
+c1cc(ccc1)C(COC(c2c(cc3c(c2)cc(C(=O)OC)cc3)O)=O)=O
+c1cc(ccc1)C(N(S(=O)(=O)c2ccc(cc2)Cl)Cc3ccc(cc3)C(=O)NCCCOC)CC
+c1cc(ccc1)C(N)CNC(C2CC(CCC2C(C)C)C)=O
+c1cc(ccc1)C(N2CC(C2)CCOc3ccc(cc3)NC(=O)NC)C
+c1cc(ccc1)C(N2CCN(CC2)c3ccnnc3-c4ccccc4)=O
+c1cc(ccc1)C(N2c3c(ncc(-c4ccc(cc4)C(NCCN(C)C)=O)c3)NCC2)=O
+c1cc(ccc1)C(NC(=O)Nc2cc3c(c(NCC)n[nH]3)c(COC)n2)C
+c1cc(ccc1)C(NC(=O)c2c3n(c(c2)Br)CCOC3)CC
+c1cc(ccc1)C(NC(N)=O)COC(F)F
+c1cc(ccc1)C(NC(NC2(c3c(OCC24CC4)ccc(Br)c3)C(F)(F)CO)=S)=O
+c1cc(ccc1)C(NCCc2cc3c(cc2)[nH]c4ncc(cc34)Cl)=O
+c1cc(ccc1)C(Nc2cc(ccc2N=Cc3cc(OC)c(c(c3)OC)OC)C)=O
+c1cc(ccc1)C(OC(C)=O)C(C)[N+]([O-])=O
+c1cc(ccc1)C(OCC(=C)CCO)=O
+c1cc(ccc1)C(OCCOc2cc(C)nc(c2)-c3nc(C)ccc3)=O
+c1cc(ccc1)C(Oc2cc(c(OCCCCOCC=C(C)C)c(CC)c2)C)=O
+c1cc(ccc1)C(c2c(NC(CI)=O)cn(C)c2C)=O
+c1cc(ccc1)C(c2c(cc(Nc3c4cc(ccc4ncn3)-n5cncc5)cc2)Cl)=O
+c1cc(ccc1)C(c2c(ccc(-c3nc(ncc3)N)c2)F)=O
+c1cc(ccc1)C(c2cc3[nH]nc(-c4ccccc4)c3cc2)C(C)(C)C(=O)Nc5sccn5
+c1cc(ccc1)C(c2cc3c(oc(c3)-c4c(F)cc(CN5CC(C5)C(OC)=O)cc4)cc2)O
+c1cc(ccc1)C(c2ccc(cc2)N3CCC4CN(C)CC34)=O
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4c(C(C)(C)C)cccc4)O
+c1cc(ccc1)C(c2ccccc2)(CC3CCN(CC3)CCc4ccccc4)C(N)=O
+c1cc(ccc1)C(c2ccccc2)(CCCI)CC#N
+c1cc(ccc1)C(c2ccccc2)(CCCN(CCc3ccccc3)C)C(N)=O
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)NC(COc4c5c(ccc(c5)Cl)on4)COC
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(COCc4ccccc4)OS(=O)(=O)C
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(N4C=CC(=O)NC4=O)CCO
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)SC=Cc4scnc4COCCO
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5cc([N+](=O)[O-])c(CNCc6cccc(Cl)c6)cc5c(Br)n4
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)C(c5cc6ccc(C(=O)NC)cc6cc5)=O
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(-c5ccc6c(c(O)nc(CCCC)n6)c5)nn4
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nnnc4CCCCC#N
+c1cc(ccc1)C(c2ccccc2)=Nc3cnc(c(C4(NC(=O)COC4)CF)c3)Cl
+c1cc(ccc1)C(c2ccccc2)C(=O)Nc3c(O)nc(nc3)C=NO
+c1cc(ccc1)C(c2ccccc2)C(N3CCC(CC3)CCn4cc(C(C(O)=O)Cc5cnc(cc5)N)nc4)=O
+c1cc(ccc1)C(c2ccccc2)C(Nc3ccc(cc3)S(=O)(=O)N(CC)CC)=O
+c1cc(ccc1)C(c2ccccc2)C3CCN(CC3)C(=O)COCC(=O)OCC
+c1cc(ccc1)C(c2ccccc2)C=3C=CC(=O)N(CCCc4cc(ccc4)OCC(OCC)=O)C=3
+c1cc(ccc1)C(c2ccccc2)CC(N3CCN(CC3)CC(O)=O)=O
+c1cc(ccc1)C(c2ccccc2)CC3CCN(CC3)CCCCCCCCc4cccnc4
+c1cc(ccc1)C(c2ccccc2)CCN3CCC(CC3)N(C)C(Cc4ccc(cc4)S(=O)(=O)F)=O
+c1cc(ccc1)C(c2ccccc2)CN(Cc3cc(ccc3)OC(F)(F)F)CCCOc4cc(ccc4)CC(=O)O
+c1cc(ccc1)C(c2ccccc2)CN(Cc3cccc(C(F)(F)F)c3Cl)CCCOc4cccc(C(=O)OC)c4
+c1cc(ccc1)C(c2ccccc2)CN3CC(O)(CC3)C
+c1cc(ccc1)C(c2ccccc2)CNc3nc(S(=O)(=O)C)nc4n(C5OCCCC5)cnc34
+c1cc(ccc1)C(c2ccccc2)N(C(=O)C)CCCCCC(=O)OCC
+c1cc(ccc1)C(c2ccccc2)N3C(=O)C(c4ccc(OCc5ccccc5)cc4O)c6c3cccc6
+c1cc(ccc1)C(c2ccccc2)NC(=O)c3c(O)nc(CO)nc3
+c1cc(ccc1)C(c2ccccc2)OCC3CCN(CC3)CC4(C)Oc5c(C4)c(C)c(N)c(C)c5C
+c1cc(ccc1)C(c2ccccc2)n3c4ccc(Cl)cc4cc3CCNS(=O)(=O)Cc5cc(c(cc5)Cl)Cl
+c1cc(ccc1)C(c2nnn(CCCCCCCCCCCC)n2)C(O)=O
+c1cc(ccc1)C2(C(=C(C(c3c(c4ccc(cc4[nH]3)C)CNC(C)=O)c5ccccc5)C2=O)O)C
+c1cc(ccc1)C2(C(C(C(c3[nH]c4cc(ccc4c3CC(C)(C)NC(=O)C)C)c5ccccc5)=C2O)=O)C
+c1cc(ccc1)C2(CCCCC2)CNc3ncnc4ccccc34
+c1cc(ccc1)C2(CCN(CC2)CCCC(=O)c3cc4CCC(Nc4cc3)=O)C(C)=O
+c1cc(ccc1)C2(NC(N(CC(c3c(F)cc(cc3)NC(=O)Nc4c(C)noc4C)=O)C2=O)=O)CCC
+c1cc(ccc1)C2(c3ccccc3)CCN(C(CN4CCCC(c5ccc(cc5)F)(c6ccc(cc6)F)C4=O)=O)C2
+c1cc(ccc1)C2(c3ccccc3)Cc4[nH]nc(C#N)c4C=C2
+c1cc(ccc1)C2=C(C(=O)N(c3c(cccc3)Cl)C2=O)Cl
+c1cc(ccc1)C2=C(N)c3cnc(nc3N(C4CCC4)C2=O)SC
+c1cc(ccc1)C2=CCN(CCCc3nc4CCCCc4c(O)n3)CC2
+c1cc(ccc1)C2=CN(C(c3ccccc23)=O)CCCN4CCCCC4
+c1cc(ccc1)C2=NC(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4ccccc24)C
+c1cc(ccc1)C2=[N+](c3c(cc(N4CCN(CC4)CC(N)=O)cc3)N5CCN=C25)[O-]
+c1cc(ccc1)C2C(CC#N)CC(=O)N2C
+c1cc(ccc1)C2C(N3C(C4N(CCN(C4)C(Nc5n(-c6ccccc6)ncc5)=O)C3=O)=O)C2
+c1cc(ccc1)C2C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)C(=O)N(c4c(cccc4)O2)CC#C
+c1cc(ccc1)C2C(NC3CCN(CC3)c4nccc(n4)N)C2
+c1cc(ccc1)C2CCN(C2)c3c4ccc(S(=O)(=O)Nc5nccs5)cc4ccn3
+c1cc(ccc1)C2CCN(CC2)C=3C=CN(CCCC)C(=O)C=3Cl
+c1cc(ccc1)C2CCN(CC2)CCC3c4cnn(-c5cc(c(cc5)Cl)Cl)c4CCC3
+c1cc(ccc1)C2CN(C)CCc3c2sc(c3Br)CO
+c1cc(ccc1)C2CN(CC2)c3c4c(ccc(c4)N5CCCC5=O)nc(C)c3
+c1cc(ccc1)C2CNC(C)C2
+c1cc(ccc1)C2CNCCN2CC
+c1cc(ccc1)C2COCC(N2)=O
+c1cc(ccc1)C2Cc3c(OC)cccc3C(CN)(C2)O
+c1cc(ccc1)C2Cc3c(c(OC)ccc3C(C#N)=C2)OC
+c1cc(ccc1)C2Cc3c(ccc(Oc4c(cccc4)[N+]([O-])=O)c3)C2
+c1cc(ccc1)C2N(C(=O)C(CCC2)N)CC3CC3
+c1cc(ccc1)C2Oc3c(cc(OC4CCC(CC4)OC(=O)c5ccncc5F)cc3)CC2
+c1cc(ccc1)C=2C(c3cc(c(c([N+](=O)[O-])c3)O)Cl)NC(=O)NC=2c4ccccc4
+c1cc(ccc1)C=2C=CN(CCC(C)(S(=O)(=O)C)C(NO)=O)C(=O)C=2C
+c1cc(ccc1)C=CC(=O)Nc2c(CCN3CCN(CC3)c4nsc5c4cccc5)cccc2
+c1cc(ccc1)C=CC(=O)Nc2cc(ccc2)OCC(=O)O
+c1cc(ccc1)C=CC(Oc2c(N)cc(N)cc2)=O
+c1cc(ccc1)C=CS(=O)(=O)Nc2cc(ccc2)C=CC(NO)=O
+c1cc(ccc1)CC(C(=O)C(NOCC)=O)NC(=O)C2CCC(=O)N2Cc3ccccc3
+c1cc(ccc1)CC(C(=O)N2CCN(CC2)C)CC(=O)N3Cc4cscc4C3
+c1cc(ccc1)CC(C(NC(C(O)=O)CCCNC(=N[N+]([O-])=O)N)=O)NC(C(C)NC(OCc2ccccc2)=O)=O
+c1cc(ccc1)CC(C)(N(C)C)C(c2ccc(cc2)NCCCI)=O
+c1cc(ccc1)CC(C=O)NC(OCC)=O
+c1cc(ccc1)CC(CCC2CCCC(N2CCCCOCC(=O)OC)=O)O
+c1cc(ccc1)CC(CN(C)C)N
+c1cc(ccc1)CC(NC(=O)c2cccnc2-n3nc(CN4CCOCC4)cc3)C(=O)C(N)=O
+c1cc(ccc1)CC(NC(c2c(-n3cc4ccccc4n3)nccc2)=O)C(O)C(=O)NOCC
+c1cc(ccc1)CC(O)C=CC2CCC(=O)N2CCCCSc3nnnn3C
+c1cc(ccc1)CC(OS(=O)(=O)c2ccc(cc2)Cl)C(=O)OC
+c1cc(ccc1)CC2CC(c3c(Cl)c(C(O)=O)ccc3S(=O)(=O)C)=NO2
+c1cc(ccc1)CC2COC(=O)N2C(=O)CCCCC3CCCCC3
+c1cc(ccc1)CCC=2C(=O)N(Cc3ccccc3)c4c(C=2)c(O)c(C(=O)NCCC(O)=O)nc4-c5cnccc5
+c1cc(ccc1)CCCCCCCCOCC(O)CN
+c1cc(ccc1)CCNC(=O)c2cc([nH]c2)-c3n[nH]c4c3cccn4
+c1cc(ccc1)CCNC(=O)c2ccccc2NC(=O)c3ccc(OC)c(Cl)c3
+c1cc(ccc1)CCNC(C(Nc2ccc(Oc3ccnc4cc(O)c(OC)cc34)c(F)c2)=O)=O
+c1cc(ccc1)CCNC(CCc2ccc(cc2)CC3=C(C)C(=O)C(OC)=C(C3=O)OC)=O
+c1cc(ccc1)CCNCC(COc2cccc(-c3c4ccc(cc4on3)F)c2)O
+c1cc(ccc1)CCOC(=O)COc2ccc(C(=O)Nc3ccc(cc3)F)cn2
+c1cc(ccc1)CCOCCC(N(C)CCNCC(O)c2c3SC(=O)Nc3c(OCc4ccccc4)cc2)=O
+c1cc(ccc1)CCc2oc(C)c(CCO)n2
+c1cc(ccc1)CN(C)Cc2ccc(N)c(OC)c2
+c1cc(ccc1)CN(C2C(CO)CN(CC2)CCc3ccc(cc3)F)C
+c1cc(ccc1)CN(CC(C)(C)COC(=O)C=C(C)N)C
+c1cc(ccc1)CN(CCCCCCCCCCCC)C
+c1cc(ccc1)CN(CCCN2N=C(c3cc(c(OC)cc3C2=O)OC)C)CCc4ccc(c(c4)OC)OC
+c1cc(ccc1)CN(CCOC(C2=C(NC(COC(=O)C)=C(C(=O)OCC)C2c3cc([N+](=O)[O-])ccc3)C)=O)C
+c1cc(ccc1)CN(Cc2ccccc2)C3COc4c(C3)c(-c5cnc(c(C(=O)NC)c5)OC)ccc4
+c1cc(ccc1)CN(O)C(=O)c2nccc(N(C)Cc3ccccc3)c2
+c1cc(ccc1)CN2C(CCC)=Nc3nc4ccccc4cc3C2=O
+c1cc(ccc1)CN2C(CN3C(C(Oc4cc(OC)cc(c4)OC)C3(c5cc(ccc25)Cl)c6ccccc6)=O)=O
+c1cc(ccc1)CN2C3(Cc4c(C3)cc(cc4)[N+](=O)[O-])C(NC2=O)=O
+c1cc(ccc1)CN2C=CC(O)=CC2=O
+c1cc(ccc1)CN2C=CC=C(C2=O)O
+c1cc(ccc1)CN2CC(C(=O)N(C)OC)CCC2
+c1cc(ccc1)CN2CC(C)OCC2C
+c1cc(ccc1)CN2CC(CC2)c3c[nH]c4c3c5c(cc4)OCC=C5
+c1cc(ccc1)CN2CC(OCC2)C3(OCCO3)C
+c1cc(ccc1)CN2CC3CCC(C2)C3N(C)CCCC(c4ccc(cc4)C#N)Oc5ccc(c(OC)c5)OC
+c1cc(ccc1)CN2CC3CCC(NC)C3C2
+c1cc(ccc1)CN2CC3COCCN3CC2CO
+c1cc(ccc1)CN2CC=C(CC2)COCc3ccccc3
+c1cc(ccc1)CN2CCC(=CC2)c3ccc(cc3)Br
+c1cc(ccc1)CN2CCC(CC2)CCNc3c(C)c(nc(c3[N+]([O-])=O)Oc4ccccc4)C
+c1cc(ccc1)CN2CCC(CC2)Nc3c(cnc(NCc4ccccn4)n3)-c5ccco5
+c1cc(ccc1)CN2CCC(OC(=O)c3cc(c(N)cc3)OC)C2
+c1cc(ccc1)CN2CCC3(CC2)N(C=NC3=O)c4ccc(cc4)F
+c1cc(ccc1)CN2CCCC(CN3CCC(CC3)C(=O)Nc4ccc(c(Cl)c4)Cl)C2
+c1cc(ccc1)CN2CCN(CC2)c3ccc4c(C(OC(=O)N4)=O)c3
+c1cc(ccc1)CN2CCOc3c(cccn3)CC2
+c1cc(ccc1)CN2Cc3ccc(nc3C(C)(C)C2)Cl
+c1cc(ccc1)CN2N=C(c3cc(c(cc3)O)OC)c4c(cccc4)C2=O
+c1cc(ccc1)CN2c3cc(ccc3OCC2)Cc4c(C(C)C)ccc(Br)c4
+c1cc(ccc1)CN2c3nc(nc(N)c3NC2=O)CC(OC)=O
+c1cc(ccc1)CNC(=O)C(COC)NC(=O)OCC
+c1cc(ccc1)CNC(=O)C(NC(=O)C)COC
+c1cc(ccc1)CNC(=O)N(CC)Cc2c(ccc(-c3cnc(OCC)cc3)c2)-c4cc(CC(OCC)=O)ccc4OC
+c1cc(ccc1)CNC(=O)NOCC(=O)NC(C(=O)N(Cc2c3ncccc3ccc2)C(C)C(OCC)OCC)C
+c1cc(ccc1)CNC(=O)c2cccc(-c3cccc(C(NO)=O)c3)c2
+c1cc(ccc1)CNC(c2c(nc(N3CCN(Cc4cc(F)ccc4)C3=O)s2)C)=O
+c1cc(ccc1)CNCCN2C(Cl)=CNC(=NCCc3ccccn3)C2=O
+c1cc(ccc1)CNCCN2c3c(c(NC)[nH]n3)C(=O)N(CCCC)C2=O
+c1cc(ccc1)CNc2c(O)nc3c(c(NC(C)CO)nc(n3)SCc4c(c(F)ccc4)F)n2
+c1cc(ccc1)CNc2c([N+](=O)[O-])c(Br)nn2CCCO
+c1cc(ccc1)CNc2c3c(Nc4cccc(C)c4)[nH]nc3ncn2
+c1cc(ccc1)CNc2cc(ccc2OC)C3CCOCC3
+c1cc(ccc1)CNc2ccccc2C=Cc3n[nH]c4c3cccc4
+c1cc(ccc1)CNc2nc(C3CC3)nc(c2Cl)C(OC)=O
+c1cc(ccc1)COC(=O)CC2(CCCC2)C(NC(c3nnn[nH]3)Cc4ccc(cc4)-c5cc(Cl)ccc5)=O
+c1cc(ccc1)COC(=O)CCCCN(C)C
+c1cc(ccc1)COC(=O)CCOC2OCCCC2
+c1cc(ccc1)COC(=O)N(CCCN2C(=O)COc3cc([N+]([O-])=O)ccc23)c4cccc[n+]4[O-]
+c1cc(ccc1)COC(=O)N2C(CCCC2CC=O)C(=O)OC
+c1cc(ccc1)COC(=O)N2CC(COC)(CC2)F
+c1cc(ccc1)COC(=O)N2CC3C(=O)CCC3C2
+c1cc(ccc1)COC(=O)N2CCN(CC2)c3nc(OC4CC(C=C4)OC)c5ccccc5n3
+c1cc(ccc1)COC(=O)NC(c2ccccc2OC)CCC=C
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(=O)C
+c1cc(ccc1)COC(=O)NCCCCCCCCCCC(=O)Oc2ccc(cc2)[N+](=O)[O-]
+c1cc(ccc1)COC(=O)Nc2cc3c(c4c(cnc(C(O)=O)c4[nH]3)-c5ccccc5F)cc2
+c1cc(ccc1)COC(=O)Nc2ccc(c(c2)F)-n3nc(cc3)-c4ccccn4
+c1cc(ccc1)COC(=O)OC2Cc3c(CC2)ncc(c3Cl)C(OCC)=O
+c1cc(ccc1)COC(=O)c2cccc(c2)C#CCOCCOCCOCCOCCO
+c1cc(ccc1)COC(CCC(C)(C)C(=O)Cl)=O
+c1cc(ccc1)COC(CCc2ccc(cc2)OCC(O)=O)=O
+c1cc(ccc1)COC(CNC(=O)C2CCCN2C(C(CCCN)NC(=O)C)=O)=O
+c1cc(ccc1)COC(COc2cc(C)c(c(c2)C)S(=O)(=O)OCC(C(C(N)CC(C)C)=O)(O)C)=O
+c1cc(ccc1)COC(N(C)CCCC(=O)Nc2c(N)c(ccc2OC)OC)=O
+c1cc(ccc1)COC(N(CC)CCCI)=O
+c1cc(ccc1)COC(N2CC(C(CC)C2)Nc3c(C(N)=O)cnn4cc(nc34)Br)=O
+c1cc(ccc1)COC(N2CC(CC2C(=O)OC(c3ccccc3)C(=O)c4ccccc4)O)=O
+c1cc(ccc1)COC(N2CCCC(CN)C2)=O
+c1cc(ccc1)COC(NC2C(NC(=O)OCc3ccccc3)CC(O)(C)CC2)=O
+c1cc(ccc1)COC(NCCCCCCCCNCC=C)=O
+c1cc(ccc1)COC(Nc2ccc(cc2)CN3c4c(N(C5C(C3=O)CCC5)C(CBr)=O)cccc4)=O
+c1cc(ccc1)COC(Nc2ccc(cc2)Oc3ccc(nc3)N)=O
+c1cc(ccc1)COC(Nc2ccc3c(c2)nc(Cc4cc(c(cc4)Cl)Cl)nc3O)=O
+c1cc(ccc1)COC(c2[nH]c(C(=O)O)cc2)=O
+c1cc(ccc1)COC(n2c3ccccc3c(CC(CCl)=O)c2)=O
+c1cc(ccc1)COC2CC(C2)c3[nH]c4c(cccc4)n3
+c1cc(ccc1)COC=2C=CN(CCc3ccc4CCNCc4c3)C(=O)C=2
+c1cc(ccc1)COCCC(F)(F)CN
+c1cc(ccc1)COCN2C(=O)C(C)=C(c3ccc(cc3C)Oc4ncnc5ccsc45)N(C)C2=O
+c1cc(ccc1)COCc2nc(N)nc(c2-c3ccc(cc3)OCc4ccc(cc4)Cl)N
+c1cc(ccc1)CON2C(=O)N3C(C(N)=O)CCC2C3
+c1cc(ccc1)CON2C(=O)N3C(CCC2C3)C=O
+c1cc(ccc1)CON2CC(CCCCC=C)C2=O
+c1cc(ccc1)COc2c(C(Nc3c(C)cccc3)=O)cc(c(OCc4ccccc4)c2)Br
+c1cc(ccc1)COc2c(N)cc3ccccc3c2
+c1cc(ccc1)COc2c(OCc3ccccc3)ccc(-c4ccc(cc4)C(OCCOCc5ccccc5)=O)c2
+c1cc(ccc1)COc2c(c(-c3scc(C(O)=O)n3)ccc2)OCc4ccccc4
+c1cc(ccc1)COc2c(c(ccc2)C(OCC)=O)CCCC#N
+c1cc(ccc1)COc2c(cc(C(O)C)c(C)n2)C#N
+c1cc(ccc1)COc2c(cc(cc2)C=CC(c3c(O)cc(cc3)OCOC)=O)OCOC
+c1cc(ccc1)COc2c(cc(cc2C)C#Cc3cc(cc(c3C=O)OC)OC)C
+c1cc(ccc1)COc2c(ccc(C=O)n2)[N+]([O-])=O
+c1cc(ccc1)COc2c(cccc2C)C=O
+c1cc(ccc1)COc2c3n(c(C)c(C=O)c3cnn2)Cc4ccc(cc4)OC
+c1cc(ccc1)COc2cc(COC3CCCCO3)nc(C(=O)O)c2
+c1cc(ccc1)COc2cc(F)c(F)cc2N
+c1cc(ccc1)COc2cc(Nc3ncccc3)ncc2
+c1cc(ccc1)COc2cc(OCC(=O)OC)cc(c2[N+](=O)[O-])OC
+c1cc(ccc1)COc2cc(c(C=C(OCC)C(OCC)=O)cc2)C
+c1cc(ccc1)COc2cc(c(c(c2)OCc3ccccc3)C(C)=NO)Oc4ccc(cc4)[N+]([O-])=O
+c1cc(ccc1)COc2cc(cc(F)c2)C3(COC(CC)O3)CC
+c1cc(ccc1)COc2cc(ccc2)COc3c4c(oc(-c5cn6c(n5)sc(n6)OC)c4)cc(OC)c3
+c1cc(ccc1)COc2cc(ccc2)Nc3ncc(cn3)Nc4ccc(c(c4)Cl)Cl
+c1cc(ccc1)COc2cc3CC4CCC(Cc3cc2)C4(C#N)N
+c1cc(ccc1)COc2cc3c4c(CCCc4nn3CC(C)N=[N+]=[N-])c2
+c1cc(ccc1)COc2ccc(-n3ncc4c(OCc5ccccc5)cccc34)cc2F
+c1cc(ccc1)COc2ccc(Br)cc2C(NC(C(O)=O)Cc3ccc(cc3)-c4ccccc4)=O
+c1cc(ccc1)COc2ccc(CBr)c(c2F)F
+c1cc(ccc1)COc2ccc(c(OCC(c3ccccc3)O)c2)OCc4ccccc4
+c1cc(ccc1)COc2ccc(cc2)CC(NC(CCCCCCc3ccccc3)=O)CCc4nnn[nH]4
+c1cc(ccc1)COc2ccc3c(cccn3)c2CC=C
+c1cc(ccc1)COc2cccc(CC(=O)Nc3ccc(c(c3)Cl)Cl)c2
+c1cc(ccc1)COc2cccc(CC(N)C(=O)OCC)c2
+c1cc(ccc1)COc2ccccc2OCCOS(=O)(=O)C
+c1cc(ccc1)CS(=O)(=O)NC(C2CC(CC2)Nc3c(cc(C(=O)OCC)c(n3)C)C#N)=O
+c1cc(ccc1)CS(=O)(=O)NC2CCC(CC2)c3nc(c([nH]3)-c4cc5OCOc5cc4)-c6nc(ccc6)C
+c1cc(ccc1)CS(=O)(=O)c2c(NCCN)ccc([N+](=O)[O-])c2
+c1cc(ccc1)CS(=O)(=O)c2nc3c(CN(c4c(cccc4)Cl)C(N3)=O)cn2
+c1cc(ccc1)CS(=O)c2ccc(N)c(N)c2
+c1cc(ccc1)CSCc2cc(Cl)ccc2Oc3cc(CC(O)=O)ccc3OC
+c1cc(ccc1)Cc2c(NC(C)=O)nc(C=C)c(-c3ccc(cc3C=C)OC)n2
+c1cc(ccc1)Cc2cc(OC)c(c(c2)Br)OCCOC
+c1cc(ccc1)Cc2cc3c(cc2)oc(-c4ccc(cc4F)C(C)N5CC(C5)C(=O)O)c3
+c1cc(ccc1)Cc2ccc3c(c(c[nH]3)CCN)c2
+c1cc(ccc1)Cc2ccc3oc(C(OCC)=O)cc3c2
+c1cc(ccc1)Cc2cccc(c2)CN
+c1cc(ccc1)Cc2cn(c3c2cccc3)CCN(C(=O)N)O
+c1cc(ccc1)Cn2c(CC)c(c(c2C(C)C)C(=O)NCc3cc(F)c(cc3)F)CCCC
+c1cc(ccc1)Cn2c3c(c(OCC(OCC)=O)ccn3)cc2C
+c1cc(ccc1)Cn2c3c(nc(N)nc3Oc4c(cc(cc4C)C)C)cc2
+c1cc(ccc1)Cn2c3cc(ccc3c(c2)C(C(=O)O)=O)-c4cccc(Cl)c4
+c1cc(ccc1)Cn2c3cc4CCCCc4c(OCC(=O)OC)c3c5c(cccc25)C(N)=O
+c1cc(ccc1)Cn2cc(-c3cc4nccnc4c(NCC5CCCNC5)n3)cn2
+c1cc(ccc1)Cn2ccc3c(cccc23)CC4SC(NC4=O)=O
+c1cc(ccc1)Cn2cnc(C(=O)c3c(nccc3)N)c2
+c1cc(ccc1)Cn2nc(c(c2)CBr)[N+](=O)[O-]
+c1cc(ccc1)Cn2ncc(c2)C(=O)Nc3c4c(n(S(=O)(=O)c5ccc(cc5)C)c3)ncc(c4)-c6cccc(C=O)c6
+c1cc(ccc1)Cn2nnnc2C3CCCN3C(=O)OCc4ccccc4
+c1cc(ccc1)N(CCOC)C(=O)C2=C3N(C=Cc4cc(sc34)CC)C(C(c5ccc(cc5)OCc6ccccc6)=C2)=O
+c1cc(ccc1)N(c2ccccc2)C(=O)OCc3cccc(OCC(O)=O)c3Cl
+c1cc(ccc1)N(c2ccccc2)C(CNC(=O)Nc3cccc(O)c3)=O
+c1cc(ccc1)N2C(C=3C(c4ccc(cc4)Cl)=NCc5onc(C)c5C=3C=C2)=O
+c1cc(ccc1)N2C(Nc3ncccc3C2=O)=O
+c1cc(ccc1)N2CCN(CC2)C(=O)NCCCCN(CCC)C3CCc4c(C3)scn4
+c1cc(ccc1)N2CCN(CC2)CC(=O)Nc3cccc(-c4cnc5c(n4)cccc5)c3
+c1cc(ccc1)N2CCN(CC2)S(=O)(=O)c3sc(cc3)-c4cc(c(O)nc4C)CC
+c1cc(ccc1)N2N(C(=C(C(OC)=O)C2=O)CN3CCCC3)C
+c1cc(ccc1)N2N3CCCC3=C(C2=O)C(=O)Nc4ccc(cn4)Oc5ccnc(NC(=O)C)c5
+c1cc(ccc1)N2N=C(CC(=O)N3CCCC3)c4c(n(c5ccccc45)C)C2=O
+c1cc(ccc1)NC(=O)C2CCN(CC2)Cc3ccc(cc3)-c4nc5c(cc4-c6ccccc6)cnc7n5nc(C)c7
+c1cc(ccc1)NC(=O)Nc2c(cc(c(C=3C(=O)N(c4c(cnc(NC(CC#N)=O)c4)C=3)CC)c2)F)F
+c1cc(ccc1)NC(N2Cc3cc(OCC4CCN(CC4)c5ccncc5)ccc3CC2)=S
+c1cc(ccc1)NC(n2c3ccc(cc3cc2)Nc4cc(ncc4C#N)N)=O
+c1cc(ccc1)NC2(CCN(CC2)Cc3ccccc3)C(N)=O
+c1cc(ccc1)NCC(=O)N2C3C(CCC(NC(=O)Nc4ccc(F)c(F)c4)C3)(CC2)c5ccc(OC)c(c5)OC
+c1cc(ccc1)NCC(Nc2c(ccc(Cl)c2)C(=O)O)=O
+c1cc(ccc1)NCCC(=N)NO
+c1cc(ccc1)Nc2c(C#N)c([nH]n2)N
+c1cc(ccc1)Nc2c(Oc3c(cc(c(C)c3)OC)C(C)C)cnc(N)n2
+c1cc(ccc1)Nc2c(c3c(cc2C(=O)OC)[nH]c(n3)C)F
+c1cc(ccc1)Nc2c3nccn3nc(c2)-c4cc5c(noc5cc4)N
+c1cc(ccc1)Nc2cc(nc(N)n2)-c3cc4c(c(N)n[nH]4)cc3
+c1cc(ccc1)Nc2ccc3ccc(NC(c4ccc(cc4)OC)=O)nc3n2
+c1cc(ccc1)Nc2ccccc2O
+c1cc(ccc1)Nc2nc(N(c3c(Cl)ccc4OCOc34)C)ccn2
+c1cc(ccc1)Nc2nc(c(cn2)Cl)C(=O)O
+c1cc(ccc1)Nc2nc(ccc2C(NC)=O)CCCCNC(NCc3cccnc3)=O
+c1cc(ccc1)Nc2nc3c(cn2)CC(C(N3CC4CC4)=O)c5ccc(cc5)OC
+c1cc(ccc1)Nc2nc3c(cn2)ccc(OC)c3C(C)C
+c1cc(ccc1)OC(NC2CC(CN(C2)C(=O)c3cccc(-c4occc4)c3)C(Nc5ccc(cc5)Cl)=O)=O
+c1cc(ccc1)OC(Nc2cc3n(cc(c3cc2)CN4CCCC4)Cc5c(cccc5Cl)Cl)=O
+c1cc(ccc1)OC(Nc2nc(CN(C)C(c3nccnc3C)=O)cs2)=O
+c1cc(ccc1)OC(c2c(OC)ccc(c2C)F)=O
+c1cc(ccc1)OC(c2nccc3C(=O)N(Cc4cnc(c(c4)C)-n5nccc5)Cc23)=O
+c1cc(ccc1)OC(n2c-3c(c(n2)Nc4cccc(F)c4)Cc5c-3cc(OC)c(OC)c5)=O
+c1cc(ccc1)OCC(Nc2ccc(cc2)C(NCCC(O)=O)=O)c3oc4c(cccc4)c3C
+c1cc(ccc1)OCC2N=C(N)OC2
+c1cc(ccc1)OCCC2(CCN(CC2)Cc3cc(c(cc3)OCC=C)Cl)C(OCC)=O
+c1cc(ccc1)OCc2c3ccc(OC)cc3c(Cl)nn2
+c1cc(ccc1)OCc2cc(nc3sc(c(N)c23)C(=O)N)C
+c1cc(ccc1)OCc2nc3c(cccc3)n2Cc4cc(ccc4)OC
+c1cc(ccc1)Oc2c(CNc3ccc4c(nnc(Cl)c4c3)O)c(ccc2)Cl
+c1cc(ccc1)Oc2c(ccc3c2CCC(C)N3C(C4CC4)=O)-c5c[nH]nc5
+c1cc(ccc1)Oc2cc(OCCOC)c(N)nc2
+c1cc(ccc1)Oc2cc3nc(-c4ncccc4)nn3c(N)c2
+c1cc(ccc1)Oc2ccc(CNC(c3ccc(nc3N)NC)=O)s2
+c1cc(ccc1)Oc2ccc(c(c2)C)C(OCC)=O
+c1cc(ccc1)Oc2ccc(cc2)-c3nc(CCOCc4ccccc4)c(C)o3
+c1cc(ccc1)Oc2ccc(cc2)NC(Nc3cc4nc(Cc5ccccc5)n(c4cc3)CCN(C)C)=O
+c1cc(ccc1)Oc2ccc(cc2)Nc3ncnc(Nc4cccc(NC)n4)c3
+c1cc(ccc1)Oc2ccc(cc2C(=O)O)C(=O)c3ncc(cc3)N(C)c4ccc(cc4)Cl
+c1cc(ccc1)Oc2cccc(c2CN)N
+c1cc(ccc1)Oc2ccccc2-c3nnc(SCc4ccccc4)o3
+c1cc(ccc1)Oc2nc(c(C)c3n(CCOCCCc4sccn4)c(nc23)COCC)C
+c1cc(ccc1)Oc2ncccc2NCc3c(O)cccc3
+c1cc(ccc1)Oc2nnc(N3CCN(C(C)C3)c4ncc(nc4)C(=O)OC)c(C)c2C
+c1cc(ccc1)P(c2ccccc2)c3ccc(cc3)P(O)(O)=O
+c1cc(ccc1)S(=O)(=O)C(=Cc2cc(-c3ncn(C)c3-c4ccc(cc4OCC5CC5)F)ncc2)C#N
+c1cc(ccc1)S(=O)(=O)Cc2c(N)ccc(c2)N3CCN(CC3)Cc4ccccc4
+c1cc(ccc1)S(=O)(=O)N2CC(c3cn4c5c(cccc35)CCC4)C(c6c[nH]c7c6cccc7)C2
+c1cc(ccc1)S(=O)(=O)N2c3ccc(cc3CC2)C=CC(O)=O
+c1cc(ccc1)S(=O)(=O)N2c3ccc(cc3CC2)CC
+c1cc(ccc1)S(=O)(=O)NC(=O)c2cc(c(NC(C)=O)cc2)NCc3ccc(cc3)OCc4ccccc4
+c1cc(ccc1)S(=O)(=O)c2c([nH]c3ccc(cc23)Cl)NC(=O)C4CC4
+c1cc(ccc1)S(=O)(=O)c2ccc3c(CNC(=O)CNC)cccc3c2
+c1cc(ccc1)S(=O)(=O)n2c(C=O)cc3cccnc23
+c1cc(ccc1)S(=O)(=O)n2c3nccc(c3cc2I)OC
+c1cc(ccc1)S(=O)(=O)n2cc(Br)c3cccnc23
+c1cc(ccc1)S(=O)(=O)n2cc(c3cc(cnc23)Cl)C=O
+c1cc(ccc1)S(=O)c2c3ccccc3n(Cc4ccccc4)c2
+c1cc(ccc1)S(=O)c2ccc3nc(NC(=O)OC)c(Br)n3c2
+c1cc(ccc1)S(=O)c2cnc(cc2)Cl
+c1cc(ccc1)S(C(c2c(ccc3c2cccc3)OC)CNC=O)=O
+c1cc(ccc1)S(CC2N(C(=O)C2)C(=O)NCc3ccccc3)=O
+c1cc(ccc1)S(c2ccc(cc2)Cc3csc(N4CCNCC4)n3)=O
+c1cc(ccc1)S(c2ccc(cc2)OC3CCCC3)=O
+c1cc(ccc1)SCCCOc2c(c(Cl)c(O)nn2)NCc3cccnc3
+c1cc(ccc1)SCc2cc3cc(ccc3c(-c4ccccc4)c2)O
+c1cc(ccc1)Sc2c(cc(cc2)Nc3c(cnc4ccc(N)cc34)C#N)Cl
+c1cc(ccc1)Sc2c3c(c(ccc3)N4CCNCC4)[nH]c2
+c1cc(ccc1)Sc2cc(c3c(CCCC3=O)c2)F
+c1cc(ccc1)Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34
+c1cc(ccc1)Sc2ccccc2CN
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC(COc3ccc(cc3)Br)C
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCCC=O
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCCc3cc(nc(n3)S(=O)(=O)C)Nc4ccc(cc4)F
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3c(Cl)ccc(-n4cccc4CNC(CC)=O)c3Cl
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCc3ccc(cc3)-c4cc(cc(Br)c4)C#N
+c1cc(ccc1)[Si](c2ccccc2)(OCC(C)(C)CNc3c(C(O)c4cccc5ccccc45)cc(cc3)Cl)C(C)(C)C
+c1cc(ccc1)[Si](c2ccccc2)(OCCn3cc(cn3)-c4cc(OC)c(N)cc4)C(C)(C)C
+c1cc(ccc1)[Si](c2ccccc2)(OCc3cccc(C=O)c3)C(C)(C)C
+c1cc(ccc1)[Si](c2ccccc2)(Oc3cc(OC)c(c(c3)OC)CO)C(C)(C)C
+c1cc(ccc1-c2[nH]c(-c3ccccn3)c(-c4ccc5c(c4)OCO5)n2)C(NC)=O
+c1cc(ccc1-c2[nH]c(nc2-c3ccncc3)-c4ccc(cc4)Cl)-c5ccc(cc5)OC
+c1cc(ccc1-c2[nH]c3c(cccc3)n2)C(O)=O
+c1cc(ccc1-c2[nH]c3c(ncc(c3)Br)n2)-c4cnco4
+c1cc(ccc1-c2[nH]nnn2)-c3csc(-c4c(cccc4)Cl)n3
+c1cc(ccc1-c2[nH]nnn2)-c3nc(c(O)cc3-c4ccc(cc4)F)O
+c1cc(ccc1-c2c(-c3c(Cl)cc(cc3)Cl)nc(c(C#N)c2)O)F
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+c1cc(ccc1F)-c2c3c(ncc(C(=O)N)c3)cnc2
+c1cc(ccc1F)-c2c3c(ncnc3sc2)OCCCOc4cc(ccc4)NC(=O)NCC
+c1cc(ccc1F)-c2cc(F)cc3cc(C(=O)N)n(C)c23
+c1cc(ccc1F)-c2cc(on2)C(=O)C
+c1cc(ccc1F)-c2ccc(cc2)C(N(C)C3CCc4c(ccc(CN)c4)C3)=O
+c1cc(ccc1F)-c2ccc(cc2F)CCc3cc4ccccc4cc3
+c1cc(ccc1F)-c2cccc(c2)S(=O)(=O)N(C)c3cc(ccc3)N
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+c1cc(ccc1F)-c2cnc3ncc(Cc4ccc(cc4)OC)n3c2
+c1cc(ccc1F)-c2coc(C3CCCN(C3)C(=O)c4ccnc(F)c4)n2
+c1cc(ccc1F)-c2n(C)cc(C(OCC)=O)c2C
+c1cc(ccc1F)-c2n(nc(C)c2-c3ccc4c(NC(=O)CO4)c3Cl)C
+c1cc(ccc1F)-c2nc(CCCC)n(Cc3ccc(cc3)-c4c(C#N)cccc4)c2C(=O)N(CC)CC
+c1cc(ccc1F)-c2nc(c(o2)CC(C)C)CC(O)=O
+c1cc(ccc1F)-c2nc(n(CC(=O)N3CCN(CC3)c4cc(OC)ccn4)n2)-c5ccc(cc5)F
+c1cc(ccc1F)-c2nc(n(c2-c3cc(ncc3)NCC(O)C)C)S(=O)C
+c1cc(ccc1F)-c2nc3c(nccn3c2-c4ccnc(n4)NC5CC5)C
+c1cc(ccc1F)-c2nc3n(c2)c(c(s3)C(N)=O)C
+c1cc(ccc1F)-c2nc3n(nc(c(C)c3C)Cl)c2C4C=NN(C=C4)C(=O)OCC
+c1cc(ccc1F)-c2nc3sc(C(N(c4ccccc4)C)=O)c(C)n3c2
+c1cc(ccc1F)-c2ncc(C3(CCCc4cnccc34)O)s2
+c1cc(ccc1F)-c2nn(c3ccc(cc23)C(Cl)=O)C(=O)C
+c1cc(ccc1F)-c2noc(Cn3c(nc4c[n+](c5cccnc5c34)[O-])CCC)c2
+c1cc(ccc1F)-c2oc(C)c(CC(NCC3CN(C(c4cc(Cl)c(Cl)cc4)=O)CCO3)=O)n2
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+c1cc(ccc1F)-c2occ(CO)n2
+c1cc(ccc1F)-c2sc(-c3n4c(nc3C)c(C(CC)CC)cc(C)n4)c(c2)C
+c1cc(ccc1F)-c2sc(cc2-c3ccc(cc3)S(=O)(=O)C)NC(C)=O
+c1cc(ccc1F)-c2scc(n2)-c3ccc(cc3)C
+c1cc(ccc1F)-n2c(COc3cnc(C(NC(C)(C)CO)=O)cn3)c(C)nn2
+c1cc(ccc1F)-n2c(nc(C#Cc3cc(C)ncc3)c2)C4CC4
+c1cc(ccc1F)-n2c3C=C4C(C(=O)c5ccccn5)(CN(S(=O)(=O)c6cnc(N(C)C)cc6)CC4)Cc3cn2
+c1cc(ccc1F)-n2c3c(cn2)C4CC3CN(Cc5ccccc5)C4
+c1cc(ccc1F)-n2ccc(n2)C(NC3CCN(c4nccn5c4nnc5)C3)=O
+c1cc(ccc1F)-n2ncc3c(cncc23)C(=O)NC(CC)C4CC(NCC4)C(=O)N
+c1cc(ccc1F)-n2ncc3cc(Oc4ccc(N)cn4)ccc23
+c1cc(ccc1F)-n2ncnc2-c3ccc(cc3)N=CN(C)C
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(=O)N(Cc3nc4CCOCc4c(O)n3)Cc5sccc5
+c1cc(ccc1F)C(=O)C2CCN(CC2)CC(N(CC3CCCO3)Cc4nc(O)c5c(n4)CCOC5)=O
+c1cc(ccc1F)C(=O)CCCN2CC(CCC2)CO
+c1cc(ccc1F)C(=O)N2c3ccccc3C=CC2C(N)=O
+c1cc(ccc1F)C(C#N)(CO)CCCCC
+c1cc(ccc1F)C(C(=O)Nc2cc(F)ccc2C(N)=O)Br
+c1cc(ccc1F)C(C(c2ccnc(Cl)c2)=NO)=O
+c1cc(ccc1F)C(C)(C)CCC=O
+c1cc(ccc1F)C(C)(C)CNc2ncc(cn2)-c3ccc4c(c(n[nH]4)N)c3
+c1cc(ccc1F)C(C2CCN(CC2)CC(Cc3cccnc3)N)=O
+c1cc(ccc1F)C(CN2CCN(CC2)C(=O)c3cc(C)n[nH]3)=O
+c1cc(ccc1F)C(Cl)c2ccc(cc2Cl)Cl
+c1cc(ccc1F)C(N2CCN(CC2)C(C)C)CN3CCN(CC3)CCCc4c(cccc4)-c5ccccc5
+c1cc(ccc1F)C(N2CCNCC2)C
+c1cc(ccc1F)C(N2Cc3cc(OCc4cc(C#N)ccc4)nn3CC2)=O
+c1cc(ccc1F)C(NC2CCN(CC2)S(=O)(=O)C)=O
+c1cc(ccc1F)C(c2ccc(cc2)F)(CCCBr)C(OCC)=O
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(CBr)n3nnnc3
+c1cc(ccc1F)C(c2ccc(cc2)F)=C(n3nnnc3)C=CC(O)CC(O)CC(=O)OCC
+c1cc(ccc1F)C(c2ccc(cc2)F)=C3CCN(CC3)CCC4=C(N=C5N(C(=CS5)C)C4=O)C
+c1cc(ccc1F)C(c2ccc(cc2)F)C3C(CCN(Cc4c(OC)c(cc(Br)c4)Br)C3)=O
+c1cc(ccc1F)C(c2ccc(cc2)F)CCCCCN3CCN(CC3)CCOc4cc(c(OC)cc4)OC
+c1cc(ccc1F)C(c2ccc(cc2)F)CCCN3CC(C)C(CC3)N4C(=O)Nc5cc(Cl)ccc45
+c1cc(ccc1F)C(c2ccc(cc2)F)CCN(C3CC3)C(Nc4nc(-c5ccc(cc5)S(=O)(=O)N)c(Cl)s4)=O
+c1cc(ccc1F)C2(CCC(CC2)=O)OC
+c1cc(ccc1F)C2CC2NC(CCCC(NC(=O)c3ccc(cc3)F)C(=O)N4CCN(CC4)C)=O
+c1cc(ccc1F)C2CCc3c(NCCNCCOc4c(ccc(c4)[N+]([O-])=O)C#N)nc(nc23)Cl
+c1cc(ccc1F)C2CCc3c2nc(Nc4ccc(-n5nc(nc5)C)c(OC)c4)nc3NC
+c1cc(ccc1F)C=2C(=O)CCC=2OCC
+c1cc(ccc1F)C=CC(F)(F)C(O)c2c(C)noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC
+c1cc(ccc1F)C=Nc2ccc(cc2)S(=O)C
+c1cc(ccc1F)CC(=O)NC(=S)Nc2cc(c(cc2)Oc3cc(Cl)ncc3)F
+c1cc(ccc1F)CC2CN(CCC2)C3CCC4CN(CC34)C(=O)Nc5cc(-c6n(nnn6)C)cc(CC)c5
+c1cc(ccc1F)CCN2CCC(CC2)C(O)c3cccc(OC)c3OC
+c1cc(ccc1F)CCN2CCC(CC2)N3CCc4ccc(cc34)C(O)c5c(nccc5)OC
+c1cc(ccc1F)CCc2c(cc(CBr)cc2)C(OC)=O
+c1cc(ccc1F)CN(C(Cc2ccc(cc2)OCC)=O)C3CCN(CC3)C
+c1cc(ccc1F)CN2C(N(CC2)c3nc(c(C(=O)NCc4ccccn4)s3)C)=O
+c1cc(ccc1F)CN2CC(N(C(=O)COc3ccc(Cl)cc3C(O)CCC(O)=O)CC2C)C
+c1cc(ccc1F)CN2CC(N(CC2C)C(COc3c(CC(NS(=O)(=O)N)=O)cc(Cl)cc3)=O)C
+c1cc(ccc1F)CN2c3ccc(cc3C(=C(C#N)C2=O)N4CCN(CC4)C(=O)c5occc5)C
+c1cc(ccc1F)CNC(=O)c2c(O)c(OCc3ccccc3)c(C(=O)OC)nc2
+c1cc(ccc1F)CNC(c2sc(Br)cc2C)=O
+c1cc(ccc1F)CNc2ccc(NC(OCC)=O)c(N)c2F
+c1cc(ccc1F)COC(N(Cc2c(-c3cc(ccc3OC)CC(OC)=O)cc(cc2)OC)CC)=O
+c1cc(ccc1F)COCC2COCc3nc4c(c5ccccc5nc4N)n23
+c1cc(ccc1F)COc2cc(F)c(N3N=NN(CCCF)C3=O)cc2
+c1cc(ccc1F)COc2ccc(c(c2)F)-n3c(ccc3C)C
+c1cc(ccc1F)Cc2ccc(Br)o2
+c1cc(ccc1F)Cc2ccccc2OC
+c1cc(ccc1F)Cc2cnc3c(N(CCCP(OCC)(OCC)=O)C(=O)C(C(NCCOC)=O)=C3O)c2
+c1cc(ccc1F)Cc2cnc3c(c2)N(C(C(C(=O)NCCOCC)=C3O)=O)CCNC(C)=O
+c1cc(ccc1F)Cc2noc(C=3N=C(N(C)C(C=3O)=O)C4CCCC4)n2
+c1cc(ccc1F)Cn2c3c(cccc3)nc2NC4CCN(CC4)C5CCCNC5
+c1cc(ccc1F)N2C(N(C=C(C(=O)Nc3ccc(cc3)Oc4ccnc5cc(OC)cc(c45)OC)C2=O)CC)=O
+c1cc(ccc1F)N2CCN(CC2)C(Cn3nccc3)=O
+c1cc(ccc1F)N2CCN(CC2)C(OCC3CN(C)CCO3)=O
+c1cc(ccc1F)N2CCN(CC2)CCC(Nc3ccc(F)cc3[N+](=O)[O-])=O
+c1cc(ccc1F)N2CCN(CC2)CCCN3C(c4c(cn(C)c4C(CC3)=O)C)=O
+c1cc(ccc1F)N2CCN(CC2)CCCN3CCC(c4n(C)ccc4S3(=O)=O)=NO
+c1cc(ccc1F)NC(C2(CC2)C(=O)Nc3cc(c(cc3F)Oc4cc(ncc4)NC(COC)=O)F)=O
+c1cc(ccc1F)Nc2nc(-c3ccc(cc3)F)cs2
+c1cc(ccc1F)Nc2nc(Nc3cc(c(cc3)F)Cl)ccn2
+c1cc(ccc1F)Nc2nc(cs2)CSc3c(c(C4CCNCC4)c(c(N)n3)C#N)C#N
+c1cc(ccc1F)OC2CCN(CC2)CC(CN)NC(C=Cc3c(ccc(c3)C#N)OC)=O
+c1cc(ccc1F)OCc2cc(ncc2)OCc3ccccc3
+c1cc(ccc1F)Oc2cc3cnc(c(O)c3cc2)C(NC(C(=O)O)C)=O
+c1cc(ccc1F)Oc2ccc(cc2)-c3nc(NC(C(=O)N)C)cc(Cl)c3
+c1cc(ccc1F)Oc2ccc(cc2)CCNc3ncc(c(O)n3)Cc4cnc(nc4)OC
+c1cc(ccc1F)S(=O)(=O)NC(Cn2cncc2)C(=O)Nc3ccc(cc3)CC(O)=O
+c1cc(ccc1F)S(=O)(=O)c2c(Cn3c4c(c(c3C)CC(O)=O)ccc(F)c4)cccc2
+c1cc(ccc1F)S(=O)(=O)c2ccc(cc2)NN
+c1cc(ccc1F)Sc2c(ccc(F)c2)C(=O)O
+c1cc(ccc1I)-c2noc(C)n2
+c1cc(ccc1I)-n2cc(nc2)CCl
+c1cc(ccc1I)C(C)C(OC)OC
+c1cc(ccc1I)C(N(OC)C(=O)c2cn(nc2C(F)F)C)C
+c1cc(ccc1I)CC(=O)CBr
+c1cc(ccc1I)CC(C)NC(=O)C
+c1cc(ccc1I)N2C(NC(=O)C23CCCCC3)=O
+c1cc(ccc1N(C(=O)C)C)Nc2nc(c3c([nH]cc3)n2)NCCCCCN
+c1cc(ccc1N(C(=O)C2c3c(c(OCc4ccccc4)ccc3)CCC2)Cc5cnc(OC)cc5)C(C)C
+c1cc(ccc1N(C(CC(C)C)C)CC(CC)CCCC)OCC
+c1cc(ccc1N(C(CNc2ccc(cc2N)F)=O)C(C)C)OC
+c1cc(ccc1N(C)C(=O)C2CCC(C2)NC(CC)=O)-c3nc4ccccc4n3C
+c1cc(ccc1N(C)C)-c2ccc(C(=O)Nc3cc(CC(O)=O)ccc3)o2
+c1cc(ccc1N(C)C)C(c2ccc3c(c2)cc(o3)CCN4C(C)CCC4)=O
+c1cc(ccc1N(C)C)C=Cc2ccc(OCCOCCOCCOS(=O)(=O)c3ccc(cc3)C)nc2
+c1cc(ccc1N(C)C)CN2C(C(=C(C2=O)Nc3ccc(cc3)OC)c4ccccc4)=O
+c1cc(ccc1N(C)CCOC)C(=O)O
+c1cc(ccc1N(C)CCOc2nc(Cl)nc(n2)Cl)-c3sc4c(cccc4)n3
+c1cc(ccc1N(C)c2c3c(nc(C)n2)cccc3)OCC(=O)O
+c1cc(ccc1N(CCCC)CCCC)C=Cc2ccc(cc2)C=C
+c1cc(ccc1N(CCCCCCOC(C=C)=O)CC)N=Nc2c(cc(cc2)[N+]([O-])=O)C#N
+c1cc(ccc1N(CCCl)CCCl)NC(=O)Nc2cccc(c2)NC(CCN(C)C)=O
+c1cc(ccc1N(CCN2C(=O)c3cc(C(OC)=O)ccc3C=C2)Cc4ccc(cc4)Cl)OC
+c1cc(ccc1N(CCOc2c3c(ccc2)cccc3)C(=O)C)C(O)=O
+c1cc(ccc1N(Cc2ccc(cc2)C#CCCCCCCCC)C(=O)C)C=CC(=O)OCC
+c1cc(ccc1N(Cc2ccc(cc2)N(C)C)C(=O)C3CCCc4cc(OCCN(C)C)ccc34)C(C)C
+c1cc(ccc1N(S(=O)(=O)C)C)C(NCC2N(CCN(c3ccccc3)C2)Cc4ccccc4)=O
+c1cc(ccc1N)-c2[nH]c3c(c2)c(N4CCCc5c4cccc5)ncn3
+c1cc(ccc1N)-c2ccc(cc2)CCCCCCCC
+c1cc(ccc1N)-c2ncon2
+c1cc(ccc1N)C(=O)Nc2ccccc2CCC3N(C)CCCC3
+c1cc(ccc1N)NCCc2cnccc2
+c1cc(ccc1N)Nc2c3c(ccc2)nc(-c4ccc(cc4)C)c(n3)-c5ccc(cc5)C
+c1cc(ccc1N)Oc2c(cccn2)-c3ccnc(C)c3
+c1cc(ccc1N)Oc2ccc(cc2)-c3occn3
+c1cc(ccc1N)Oc2ccc(cc2)CCNCc3ccccc3
+c1cc(ccc1N)Oc2cccc(S(=O)(=O)NC)c2
+c1cc(ccc1N2C(=NC(C(OCC)=O)(C2)O)CN(c3ccc(cc3)F)C)Cl
+c1cc(ccc1N2C(=O)C=CC=N2)C3C(CN(C)C)C3
+c1cc(ccc1N2C(=O)OC(CNC(c3ccc(s3)Cl)=O)C2)N4C(C(CCCOC(=O)CCC(=O)O)OCC4)=O
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+c1cc(ccc1N2C(C(C)C)=Nc3c(Br)c(ccc3C2=O)NC(=O)C=C)Cl
+c1cc(ccc1N2C(CC(C2)C(O)=O)=O)C3C(C3)C(=O)NCCCCCCCCCC
+c1cc(ccc1N2C(OC(Cn3nnc(c3)C)C2)=O)-c4ccc(C=5CC(CO)ON=5)s4
+c1cc(ccc1N2C(c3c(C2)ccc(Cl)c3)=O)C(C)C
+c1cc(ccc1N2C(c3c(c(ccc3)C)C2=O)=O)CC(C(OCC)=O)NC(=O)c4c(cc(cc4Cl)-c5[nH]nnn5)Cl
+c1cc(ccc1N2C(c3ccc(cc3)O)C(CCC(c4ccc(cc4)F)O)C2=O)F
+c1cc(ccc1N2C=CC=C(F)C2=O)-n3cc(nc3)CNC(c4sc(cc4)Cl)=O
+c1cc(ccc1N2C=CC=CC2=O)-n3cc(CNC(c4ccc5c(cc[nH]5)c4)=O)nc3
+c1cc(ccc1N2C=NC(=C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)C2=O)CCC)OC(C)C
+c1cc(ccc1N2CC(C)(C)NCC2)F
+c1cc(ccc1N2CC(CC2)N=C(N)N)[N+]([O-])=O
+c1cc(ccc1N2CC(CO)CC2=O)C
+c1cc(ccc1N2CC(Cn3ccnn3)OC2=O)-c4ccc(cc4)C=5CC(CO)ON=5
+c1cc(ccc1N2CCC(CC2)O)NC(=O)N3CCN(CC3)C(=O)c4cccn4C
+c1cc(ccc1N2CCC(CC2)OC3CCCCC3)-c4sc(nn4)N
+c1cc(ccc1N2CCC(CC2)OCCCCCOC)-c3sc(nn3)N
+c1cc(ccc1N2CCC(CC2)c3ccccc3)S(=O)(=O)NC4C(=O)N(OCc5ccccc5)CC=CC4
+c1cc(ccc1N2CCCC2)-c3ccc(cc3)S(=O)(=O)Cl
+c1cc(ccc1N2CCN(CC2)C(=O)NCCN(C)C)OC
+c1cc(ccc1N2CCN(CC2)C(C3CC34CCN(CC4)C5CCOCC5)=O)OC
+c1cc(ccc1N2CCN(CC2)C(CC)=O)Nc3ncc(c(NC4(CC4)c5ccccc5)c3)C(N)=O
+c1cc(ccc1N2CCN(CC2)C)Nc3nc(c(CC)nc3C(=O)N)Oc4cc(C#N)cc(c4)[N+](=O)[O-]
+c1cc(ccc1N2CCN(CC2)C)Nc3nc(ccn3)Nc4ccc(c(C#N)c4)F
+c1cc(ccc1N2CCN(CC2)C)Nc3nc4N(Cc5ccccc5Br)C(=O)C=Cc4cn3
+c1cc(ccc1N2CCN(CC2)C)Nc3nc4c(C(=O)N(C=C4Br)CC5CC5)cn3
+c1cc(ccc1N2CCN(CC2)C)Nc3ncc4C=C(C(=O)N(Cc5c(F)cccc5C6CC6)c4n3)Br
+c1cc(ccc1N2CCN(CC2)CCCNC(=O)CN3c4nccc(C)c4-n5cccc5C3=O)OC
+c1cc(ccc1N2CCN(CC2)Cc3cc(OC(F)F)c4OC(C(=O)Nc4c3)C)C(NC)=O
+c1cc(ccc1N2CCN(CC2)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3)C(NCC)=O
+c1cc(ccc1N2CCN(CC2)Cc3cccc(C#N)c3)NC(=O)c4cccc(c4-c5ccc(cc5)C(C)C)C
+c1cc(ccc1N2CCN(CC2)c3ccncc3)OCCCC(OCC)=O
+c1cc(ccc1N2CCN(c3c(ccnc3)C)C2=O)F
+c1cc(ccc1N2CCN3C(CCC(COc4ccc(cc4)F)C3)C2)N
+c1cc(ccc1N2CCNCC2)-c3cnc(nc3)N
+c1cc(ccc1N2CCNCC2COCc3ccc(cc3)OC)OCCCOCc4ccc(cc4)Cl
+c1cc(ccc1N2CCOCC2)-c3cnc(N)c(c3N4CCC(CC4)C#N)Cl
+c1cc(ccc1N2CCOCC2)NC(c3ccc(cc3)-c4nc(sc4)C(O)=O)=O
+c1cc(ccc1N2CCn3c(cc(OCc4c(cccc4)F)n3)C2=O)F
+c1cc(ccc1N2N=CC(=C(OC)C2=O)c3ccc(cc3)SC)F
+c1cc(ccc1N2c3ncccc3N(C(C)C)C2=O)Oc4n(c5ncccc5n4)C
+c1cc(ccc1N=Cc2cccc(-c3ccccc3)c2O)I
+c1cc(ccc1N=Nc2cc(c(O)c([N+]([O-])=O)c2)Cl)S(=O)(=O)F
+c1cc(ccc1N=Nc2cc(c(cc2C)N)OCC(CCCC)CC)CCCC
+c1cc(ccc1NC#N)-c2ccc(C#N)n2C
+c1cc(ccc1NC(=O)C)-c2nc3c(c(N4CC5CCC(C4)O5)n2)cn[nH]3
+c1cc(ccc1NC(=O)C)-n2c(cc3c2c(O)c(C#N)c(n3)O)Cl
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+c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl
+c1cc(ccc1NC(=O)C)SCCCOc2cc(ccc2OC)Cc3cnc(nc3N)N
+c1cc(ccc1NC(=O)C)Sc2ccc(C)cc2Nc3ncnc4c3sc(n4)SC
+c1cc(ccc1NC(=O)C2=C(CCC2)c3cccc(C(N)=O)c3)N4C(=O)CCCC4
+c1cc(ccc1NC(=O)NC)-c2nc(N3CC4CCC(C3)O4)c5c(C(C)(C)OC5)n2
+c1cc(ccc1NC(=O)NC2COC2)-c3nc(c4c(C(C)(C)OC4)n3)N5C(C)COCC5
+c1cc(ccc1NC(=O)Nc2ccncc2)-c3nc(N4CC5CCC(C4)O5)nc(N6CCN(CC6)C)n3
+c1cc(ccc1NC(=O)c2[nH]ncc2NC(=O)C)F
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+c1cc(ccc1NC(=O)c2c(cccc2Cl)Cl)CC(NC(=S)C3(CCCC3)CCCCS(=O)(=O)C)C(=O)O
+c1cc(ccc1NC(C(Cc2ccccc2)NC(=O)Nc3ccc(cc3)Cl)=O)C4=NCCN4C
+c1cc(ccc1NC(C(c2ccc(cc2)F)C)=O)-c3ccn4nc(Nc5c(OC)cc(cc5)S(=O)(=O)C)nc4c3
+c1cc(ccc1NC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)CBr
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+c1cc(ccc1NC(CN2C3=C(C(=O)CC3)C(c4cc(ccc4Br)Cl)=CC2=O)=O)C=5NOC(=O)N=5
+c1cc(ccc1NC(Cc2ccc(c(c2)OC)NC(N3c4ccccc4CC3)=O)=O)C(CC(O)=O)C
+c1cc(ccc1NC(N)=NC2CCCCC2)Cl
+c1cc(ccc1NC(N2CC(C3(C(=O)Nc4cc(Cl)ccc34)Cc5cccc(c5)Cl)CCC2)=O)NC(C)=O
+c1cc(ccc1NC(NC(c2c([N+](=O)[O-])cccc2)=O)=O)S(c3ncc(cn3)Br)=O
+c1cc(ccc1NC(NC=2C(N(c3cc(C)c(C)cc3C=2c4c(Cl)cccc4)C)=O)=O)Cl
+c1cc(ccc1NC(NCC2OCCN(Cc3cccc4c3cccc4)C2)=O)Cl
+c1cc(ccc1NC(Nc2c(cc(Cl)c3ccc(OC(=O)C)cc23)Cl)=O)CCC
+c1cc(ccc1NC(Nc2cc(ccc2)Cl)=O)-c3c(-c4ccnc5[nH]ccc45)cn(CC)n3
+c1cc(ccc1NC(Nc2ccc(cc2)C#N)=S)NNC=O
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3CCCC(c4ccccc34)NC(CN(C)C)=O
+c1cc(ccc1NC(c2c(C)cccc2)=O)C(=O)N3Cc4cccn4Cc5c3ccs5
+c1cc(ccc1NC(c2c(cccc2)C)=O)C(=O)N3CCc4nncn4-c5c3cccc5
+c1cc(ccc1NC(c2c(nccc2)S(=O)Cc3ccncc3)=O)Cl
+c1cc(ccc1NC(c2cc(-c3cncnc3)c(nc2)OC4CCOCC4)=O)OC(F)(F)Cl
+c1cc(ccc1NC(c2ccc([n+](c2)[O-])Cl)=O)F
+c1cc(ccc1NC(c2ccc(cc2)N3C(=O)CCc4ccccc34)=O)OC
+c1cc(ccc1NC(c2ccc3c(c2)C(C)(C)CCC3(C)C)=O)C(Nc4c(N)cccc4)=O
+c1cc(ccc1NC)C#CCCCO
+c1cc(ccc1NC=C2C(Nc3c2ccc(C(=O)c4cccc(c4)NC(c5sccc5)=O)c3)=O)C(=O)O
+c1cc(ccc1NCC(COc2c(C3CCCCC3)cccc2)O)N4C(NCC4)=O
+c1cc(ccc1NCC)C2(C(=O)c3c(cc(Cl)cc3NC2=O)Cl)C
+c1cc(ccc1NCCCCCCCCCCCCCCCC)C=NO
+c1cc(ccc1NCCCN2CCN(CC2)C)N
+c1cc(ccc1NS(=O)(=O)C)-c2c3nccn3ccc2
+c1cc(ccc1NS(=O)(=O)C)-c2nc(N3CCOCC3)c4ccc5c(c4n2)ccn5C
+c1cc(ccc1NS(=O)(=O)C)-c2nnc(NNC(Cc3ccc(cc3)Cl)=O)cc2
+c1cc(ccc1NS(=O)(=O)C)C(N)C
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+c1cc(ccc1Oc2c(cccc2)C=CC(NO)=O)Cl
+c1cc(ccc1Oc2cc(-c3ccc(-c4nccs4)[nH]3)cc(c2)OC(COC)C)C(C)O
+c1cc(ccc1Oc2cc(-c3ccccc3)ccc2N4CCNCC4)OC
+c1cc(ccc1Oc2cc(C(=O)O)ccc2)N
+c1cc(ccc1Oc2cc(C(C)C)c(O)cc2)OCC
+c1cc(ccc1Oc2cc(C)ncc2)Nc3nc(N)nc(c3)Cl
+c1cc(ccc1Oc2cc(OC)c(C)cc2)N
+c1cc(ccc1Oc2cc(cc(C(Nc3sccn3)=O)c2)OC4C(=O)N(C)CC4)-c5oc(C)nn5
+c1cc(ccc1Oc2cc(ccc2N)N)C=C
+c1cc(ccc1Oc2cc(cnc2N)Br)C#N
+c1cc(ccc1Oc2cc3c(COC3)cc2)N4C(=O)NC(C)C4=O
+c1cc(ccc1Oc2ccc(c3cc(C(=O)OCC)n(C)c23)Cl)N
+c1cc(ccc1Oc2ccc(cc2)-c3nc(C(=O)N)cc(n3)NCC(O)C(N)=O)F
+c1cc(ccc1Oc2ccc(cc2)-c3nc(cc(n3)N(S(=O)(=O)C)CC(CO)O)C(N)=O)F
+c1cc(ccc1Oc2ccc(cc2)C(CC(C(OCC)=O)(C(OCC)=O)NC(=O)C)=O)CCCC
+c1cc(ccc1Oc2ccc(cc2)C=C3SC(=O)NC3=O)C(C(OC)=O)=Cc4cc(OC)cc(c4)OC
+c1cc(ccc1Oc2ccc(cc2)CN(Cc3c(cccc3)Br)c4c(c(ccc4)[N+]([O-])=O)C)CCC(OC)=O
+c1cc(ccc1Oc2ccc(cc2)Cl)C(Oc3ccc(cc3)Cl)C(=O)O
+c1cc(ccc1Oc2ccc(cc2)[N+]([O-])=O)CBr
+c1cc(ccc1Oc2cccc(CN3CCN(CC3)C(=O)Nc4noc5c4cccc5)c2)Cl
+c1cc(ccc1Oc2cccc(c2)C(CCC(C)=O)=O)F
+c1cc(ccc1Oc2cccc3c2c(nc(c3O)C(=O)NCC(O)=O)C#N)OC
+c1cc(ccc1Oc2ccccc2)-c3c(c(nn3C4CCCN(C(=O)C=C)C4)N)C(N)=O
+c1cc(ccc1Oc2ccccc2)CC(Nc3cc4c(nn(c4)CCN(C)C)cc3)=O
+c1cc(ccc1Oc2ccccc2)N3c4c(N)ncnc4N(c5cc(ccc5)NC(=O)C=CCBr)C3=O
+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(c(cc34)NC(C=CCN(C)C)=O)OCC
+c1cc(ccc1Oc2ccccn2)CO
+c1cc(ccc1Oc2ccnc3c2ncc(c3)OC)Nc4nnc(c5c4cccc5)-c6sc(c(C)c6)C
+c1cc(ccc1Oc2ccnc3c2sc(C(=O)NCCCC(=O)O)c3)NC(Nc4cc(ccc4F)C)=O
+c1cc(ccc1Oc2ncc(cc2)C(N)=O)CN3CC(c4ccccc4)CCCC3
+c1cc(ccc1Oc2ncc(cn2)Br)O
+c1cc(ccc1Oc2ncccc2)-c3nc(on3)-c4ccc(cc4)O
+c1cc(ccc1P(C)(C)=O)Nc2nc(nc3n(C=Cc4c(C)cccc4C)cnc23)-n5ccnc5
+c1cc(ccc1S(=O)(=O)C)-c2cc3N(CC(N(c3cc2N)C(C)=O)C)C(=O)OC(C)C
+c1cc(ccc1S(=O)(=O)C)N=Nc2ccc(cc2)N(C)CCCCCCO
+c1cc(ccc1S(=O)(=O)C)Oc2cc(OC(COC)C)c3c(cc([nH]3)C=4SC(CN=4)CC(=O)N)c2
+c1cc(ccc1S(=O)(=O)C)S(=O)(=O)Nc2c(C(c3cnccc3)=O)cc(cc2)Cl
+c1cc(ccc1S(=O)(=O)C2CCOCC2)-c3nc(c(nc3)N)C#Cc4cccc(c4)O
+c1cc(ccc1S(=O)(=O)N(C)Cc2c(Cl)c(C(=O)N3CC(C(NCc4onc(C)n4)=O)Oc5ccccc35)sc2)Cl
+c1cc(ccc1S(=O)(=O)N(C)c2cccc(OC)c2)-c3ccc(cc3)C=O
+c1cc(ccc1S(=O)(=O)N(CCc2ccc(cc2)OC)CCC(NO)=O)-c3[nH]nnn3
+c1cc(ccc1S(=O)(=O)N(Cc2cc(-c3ccc(c(S(=O)(=O)C)c3)F)c(OCC(=O)O)cc2)C)F
+c1cc(ccc1S(=O)(=O)N(c2cc3c(cc2)n(CC(=O)O)c(CCC)n3)CCCc4ccccc4)F
+c1cc(ccc1S(=O)(=O)N)-c2c(c(sc2C(CC)=O)N3CCOCC3)C
+c1cc(ccc1S(=O)(=O)N)-c2cc(ccc2OC)-c3c(c(C)c(C(O)=O)s3)C
+c1cc(ccc1S(=O)(=O)N)C(=O)C=Cc2cc(-c3[nH]c4ccccc4c3)c(OC)cc2OC
+c1cc(ccc1S(=O)(=O)N2C(c3ccc(cc3)F)CCC2c4nnn[nH]4)C
+c1cc(ccc1S(=O)(=O)N2C3CNCC2Cc4c3cn[nH]4)Cl
+c1cc(ccc1S(=O)(=O)N2CCC(C)(C)CC2)NC(c3ccc([N+](=O)[O-])o3)=O
+c1cc(ccc1S(=O)(=O)N2CCOCC2)Nc3c(C(N)=O)cc(s3)-c4c(cc(cc4F)C(C)(C)O)F
+c1cc(ccc1S(=O)(=O)N=CN(C)C)-c2c(ccc(-c3n(c(cc3C)C(=O)N(C)OC)C)c2)OC
+c1cc(ccc1S(=O)(=O)NC(CCCN2C(c3c(C2=O)cccc3)=O)C(=O)O)-c4ccc(cc4)Cl
+c1cc(ccc1S(=O)(=O)NC)-c2cc(c3c(C)nn(c3n2)C(C)C)C(=O)NCc4c(nc(C)cc4C)O
+c1cc(ccc1S(=O)(=O)NC)-c2cnn3ccc(C(=O)N(c4ncc(C#N)cc4)CC)cc23
+c1cc(ccc1S(=O)(=O)NC2c3cc(ccc3OC(C)(C)C2O)CC(NC4CCCc5ccccc45)=O)CC
+c1cc(ccc1S(=O)(=O)NCC(=O)OC)OCC2CC2
+c1cc(ccc1S(=O)(=O)NCC(CC(=O)Nc2ccccc2)c3ccc(cc3)Cl)C
+c1cc(ccc1S(=O)(=O)NCC2=CC(=O)C(=CO2)O)C
+c1cc(ccc1S(=O)(=O)NCCCCCCC(C)(C)C(=O)O)Cl
+c1cc(ccc1S(=O)(=O)NCCCn2cncc2)C(C=Cc3c(cc(c(c3)C#Cc4c(N)cccc4)OC)OC)=O
+c1cc(ccc1S(=O)(=O)NCCNc2ccc3c(cccc3)c2)C=C
+c1cc(ccc1S(=O)(=O)NCCO)-c2nc(-c3sc(CN(CC)CC)c(C)c3)on2
+c1cc(ccc1S(=O)(=O)NCCc2cc(CCC(=O)O)cc(c2)Cc3ccc(cc3)F)Cl
+c1cc(ccc1S(=O)(=O)NCCc2n(C)c(CC(O)=O)cc2)F
+c1cc(ccc1S(=O)(=O)Nc2c(cc(Cl)cc2)C(=O)c3ccccn3)C4(CCOCC4)C
+c1cc(ccc1S(=O)(=O)Nc2c(nc3c(cccc3)n2)Nc4ccc5OCCOc5c4)Cl
+c1cc(ccc1S(=O)(=O)Nc2c3c(nc(NC4c5c(CC4)cccc5)cc3)ccc2)NCC6CC6
+c1cc(ccc1S(=O)(=O)Nc2cc(nc(NCC)n2)NC(C)C)N
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2)C)OCCOC
+c1cc(ccc1S(=O)(=O)Nc2ccccc2Oc3ccc(Cl)cc3Cl)C(NCC(NCCCCC(N)C(OC)=O)=O)=O
+c1cc(ccc1S(=O)(=O)Nc2cncc(-c3sc(cc3)-c4cc5c(cc4)C(N(C)C5)=O)c2)F
+c1cc(ccc1S(=O)(=O)Nc2nccs2)-c3nc4c(cccc4)[nH]3
+c1cc(ccc1S(=O)(=O)OC(C)COc2c(N)ccc(c2F)F)C
+c1cc(ccc1S(=O)(=O)OCC#CC(CC)(CC)OC2OCCCC2)C
+c1cc(ccc1S(=O)(=O)OCC(C)(C)CS(=O)(=O)N)C
+c1cc(ccc1S(=O)(=O)OCC(F)(F)c2ncccc2)C
+c1cc(ccc1S(=O)(=O)OCC2CCc3ccc4c(NC(=O)N4)c3O2)C
+c1cc(ccc1S(=O)(=O)OCC2COc3c(c(ccc3)-c4ccc(cc4C)OC)O2)C
+c1cc(ccc1S(=O)(=O)OCCC2CCN(CC2)C(c3ccccc3)=O)C
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCC#C)C
+c1cc(ccc1S(=O)(=O)OCc2ccc(cc2)OC(=O)C(C)=C)C
+c1cc(ccc1S(=O)(=O)ON=C(C#N)c2cccs2)OC(=O)C(C)=C
+c1cc(ccc1S(=O)(=O)ON=C(c2ccc(cc2)F)C#N)C
+c1cc(ccc1S(=O)(=O)c2c(cccc2)Br)C=O
+c1cc(ccc1S(=O)(=O)c2cc3c(cc2)cc(Br)cc3)O
+c1cc(ccc1S(=O)(=O)n2c3c(c(c2)C4C(CC=O)C4)cc(C#N)cc3)C
+c1cc(ccc1S(=O)(=O)n2c3c(cc2I)c4n(ncc4cn3)C)C
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5c4cc(c(OCCOCCCl)c5)OC)C)C
+c1cc(ccc1S(=O)(=O)n2cc(I)c3cc(-c4cc(C=O)ccc4)cnc23)C
+c1cc(ccc1S(=O)(=O)n2cc(c3c(ncnc23)C)I)C
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(-c4nc(N)sn4)ccc23)-c5cccc(OC(C)C)n5)C
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(cnc23)-c4cccnc4)C(=O)c5cccc(N)c5)C
+c1cc(ccc1S(=O)(=O)n2ccc3C(Br)=CN(C(=O)c23)C)C
+c1cc(ccc1S(=O)c2c3NC(Cc3ccc2)=O)Cl
+c1cc(ccc1S)N(c2ccc(cc2)[N+](=O)[O-])CCCCC
+c1cc(ccc1SC(C#N)(CCCCCN)c2ccc(OC)c(c2)OC)C
+c1cc(ccc1SC(C)(C)C(=O)O)C(OCc2nnn(Cc3ccccc3)c2)=O
+c1cc(ccc1SC(CC)C)OCCOC(=S)NCC
+c1cc(ccc1SC)C(=NO)Cc2ccccc2
+c1cc(ccc1SC)C(C(C)CC(OC)=O)=O
+c1cc(ccc1SC)CN2CCN(CC2)CCO
+c1cc(ccc1SCC(CC)=O)-c2c(n3CCCc3n2)-c4ccncc4
+c1cc(ccc1SCC(NC(=O)CCCCCCc2ccccc2)CCC(OC3CCCCC3)=O)Cc4ccccc4
+c1cc(ccc1SCC=Cc2cc(c(OCOC)cc2)[N+](=O)[O-])Cl
+c1cc(ccc1SCCCN2CCC(CC2)c3c4c(n(c3CC)-c5ccccc5)cc(F)cc4)F
+c1cc(ccc1SCCCl)C=O
+c1cc(ccc1SCCNC(=O)c2oc3c(cccc3)c2)C(NO)=O
+c1cc(ccc1SCCc2ccccc2)N
+c1cc(ccc1SCN2C(N=CC(Cl)=C2)=O)OC
+c1cc(ccc1Sc2c(C(O)C=C)c(F)ccc2)F
+c1cc(ccc1Sc2ccc(C)cc2Nc3ccnc4nc(C)ccc34)OS(=O)(=O)C(C)C
+c1cc(ccc1Sc2ncc(cc2)N)CCC(=O)OC
+c1cc(ccc1[N+](=O)[O-])-c2nc(S(=O)C)[nH]c2
+c1cc(ccc1[N+](=O)[O-])C(=O)Nc2scc(COc3ccc(cc3)CCCCn4ccnn4)n2
+c1cc(ccc1[N+](=O)[O-])COC(C=2N3C(C(C(OC(C)=O)c4c5C6CC(CC6)c5n(C)n4)(Br)C3SC=2)=O)=O
+c1cc(ccc1[N+](=O)[O-])NC(N(O)C2CCCCCCC2)=O
+c1cc(ccc1[N+](=O)[O-])Nc2c3ncn(C)c3nc(Cl)n2
+c1cc(ccc1[N+](=O)[O-])OC(=O)C(C)=Cc2c(cccc2)N
+c1cc(ccc1[N+](=O)[O-])Oc2ccc3[nH]cc(c3c2)CC(N)C(N4C(C#N)CCC4)=O
+c1cc(ccc1[N+]([O-])=O)-c2cc(c(C(=O)CBr)cc2)C
+c1cc(ccc1[N+]([O-])=O)-n2c(C)c(C(O)=O)nc2-c3ccccc3Cl
+c1cc(ccc1[N+]([O-])=O)CC(C(=O)OC)NC(C)=O
+c1cc(ccc1[N+]([O-])=O)CCCN
+c1cc(ccc1[N+]([O-])=O)COC(=O)N2C(COCC(N)=O)CC(SC(C)=O)C2
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(C(=NOCCC)c4nc(sc4)N)=O)=O
+c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3C(Br)(C(c4nc5n(CCN(Cc6ccccc6)C5)c4)OC(=O)C)C(N23)=O)=O
+c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3N2C(C3(Br)C(c4cc5COCCn5n4)OC(C)=O)=O)=O
+c1cc(ccc1[N+]([O-])=O)Cn2c3c(cc(Br)cc3)cc2C(=O)OCc4ccccc4
+c1cc(ccc1[N+]([O-])=O)N=Nc2ccc(N(CC=C)C)cc2O
+c1cc(ccc1[N+]([O-])=O)OC(C)C(OCCO)=O
+c1cc(ccc1[N+]([O-])=O)OCCCCCC(=O)Oc2ccc(cc2)[N+](=O)[O-]
+c1cc(ccn1)-c2c(-c3cc(O)c(Cl)cc3)[nH]c(C(C)(C)CNCc4ccccc4)n2
+c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F
+c1cc(ccn1)-c2c(nn(c2)C3CCN(CC3)C)-c4c(c(NS(=O)(=O)c5c(F)ccc(c5)F)ccc4)F
+c1cc(ccn1)-c2cc(OC(C)C)c(cc2C)[N+]([O-])=O
+c1cc(ccn1)-c2cc3c(C(NC(CCC)(CCC)N3)=O)s2
+c1cc(ccn1)-c2n(c(CC(n3nc(-c4cccc(c4)Cl)nn3)C)nn2)C
+c1cc(ccn1)-c2nc(NCC(N)Cc3ccccc3)ccc2-c4cccc(C)c4
+c1cc(ccn1)-c2nn(cc2Br)C
+c1cc(ccn1)-c2oc3c(n2)cc(cc3)OC
+c1cc(ccn1)C(Cn2c3c(c4cc(ccc24)C)CN(CC(O)C)CC3)O
+c1cc(ccn1)CN2CC3=C(CC2)c4c(cc(cc4)OC)OC3=O
+c1cc(ccn1)Cn2c3c(nc2CN(C)C4c5ncccc5CCC4)cccc3
+c1cc(ccn1)N2CCC(CC2)C(=O)NN3CCN(S(=O)(=O)c4cc5c(cc(Cl)cc5)cc4)CC3=O
+c1cc(ccn1)NC(NCCCCCCN2C(=O)C=Cc3c2cccc3)=NC#N
+c1cc(ccn1)NC(c2ccc(cc2)C(=O)CNC(OCc3ccccc3)=O)=O
+c1cc(ccn1)NCCOc2cc(cc(Cl)c2)C(=O)N(c3cccc(c3)F)CCCn4ncnn4
+c1cc(ccn1)Nc2c(OCCN(C)C)cnc(-c3nn(Cc4c(cc(cc4F)OCC)F)c5c3CCC5)n2
+c1cc(ccn1)OC2CCc3cc(ccc3C2)C(OC)=O
+c1cc(ccn1)OCC(C2CCCCC2)n3c4c(nc3-c5ccc(cc5)Cl)cc(c(c4)F)F
+c1cc(ccn1)OCc2nc3n(c2)nc(cn3)-c4c(F)cc(F)cc4
+c1cc(ccn1)SCCCN(C(C)=O)Cc2ccccn2
+c1cc(nc(-c2c(cnc(NC3CC(C(=O)O)CC3)c2)Cl)c1)NCc4cc(ccc4)F
+c1cc(ncc1Br)CS(=O)C
+c1cc(ncc1CBr)N2CCCC2=O
+c1cc2C(N(C)N=Nc2s1)=O
+c1cc2CC(=O)N(c2cc1F)C(=O)C
+c1cc2[nH]cc(CC#N)c2c(c1OCCC)Cl
+c1cc2c(CCC(NCCC)C2)c(N)c1OC
+c1cc2c(CCC2C(=O)O)cc1F
+c1cc2c(c(C(=O)Cl)c1)ccc(Oc3ccnc4c3cc(c(OC)c4)OC)c2F
+c1cc2c(c(c1OC)OC)OC(=CC2=O)c3cc4c(cc3)[nH]nn4
+c1cc2c(c(ncn2)O)nc1Cl
+c1cc2c(cc(cc2)C(=O)O)cc1O
+c1cc2c(cc1CCCC(=O)O)CCO2
+c1cc2c(cc1I)C(C2)=O
+c1cc2c(ccc(NC(C)=O)n2)cc1CCN
+c1cc2c(nnc(-c3cscc3)c2cc1)Cl
+c1cc2c(sc(NC3C(O)CCCC3)n2)cc1Oc4c(Br)cncc4
+c1cc2c3ccccc3n(c2cc1)CCCP(O)(O)=O
+c1cc2ccc(OCOC)c(C#N)c2nc1COC(=O)C
+c1cc2ccc(nc2c(c1F)CC#N)OC
+c1cc2ccccc2c(OC)c1Br
+c1cc2ccccc2c3c1N(C(=O)CC(=O)N3C)c4cc(ccc4)C#N
+c1cc2cnc(CCCOC)n2cc1Br
+c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1
+c1ccc(C)cc1C(CCCCl)=O
+c1ccc(CCC)cc1OCOC
+c1ccc(Cl)cc1CCCCCCC(c2ncc(-c3ncccc3)o2)=O
+c1ccc(N)c(Nc2cc3c(C(c4ccc(OC)cc4CC3)=O)cc2)c1
+c1ccc(NC(=O)C)cc1-c2ccnc(n2)NCCc3ccc(c(OC)c3)OC
+c1ccc(O)cc1-c2cc(CCCO)ccc2
+c1ccc(OCc2nc3c(cccc3)cc2)cc1COc4cc(ccc4)-c5[nH]nnn5
+c1ccc(OCc2nccc(C)c2)c(-c3cc4c(cc3)CCNCC4)n1
+c1ccc(Oc2cc(C)c(OCC(=O)OCC)cc2)cc1C(=O)Cl
+c1ccc(c(N)c1)OCCF
+c1ccc(c(c1)-n2nnnc2-c3c(-c4ccccc4N)cccc3)F
+c1ccc(cc1C(=O)OC)OCCn2c(-c3cnccc3)c(c4cc(C#N)ccc24)C
+c1ccc(cc1C(Nc2c(cccc2)Oc3cc(c(C#N)cc3)C#N)=O)[N+]([O-])=O
+c1ccc(cc1CCC(OC)=O)CI
+c1ccc(cc1CCn2nc(cc2N)C)C=3C=CC(=O)N(Cc4cc(C(=O)OC)ccc4)N=3
+c1ccc(cc1NCCO)Nc2nc(c(cn2)F)Nc3cc4c(OCCO4)cc3
+c1ccc2C(=O)C(C(=O)c2c1)=NNC(=O)Nc3c(cccc3)OC(C)=O
+c1ccc2C(=O)N(C(c2c1)=O)CCCC(CO)N(C(=O)NCc3cccc(c3Cl)F)C
+c1ccc2C(=O)N(C(c2c1)=O)CCc3c(Br)cc(c(OC)c3)OC
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4ccc(cc34)-c5c(CN(CC)CC)ccc(F)c5)N
+c1ccc2OCCCc2c1C(NCC3C4C(CN3C(c5nc(C)sc5-c6cccc(c6)C)=O)C4)=O
+c1ccc2Oc3c(cccc3)-c4c(-c2c1)c(sc4)COCCCN
+c1ccc2c(OCc3c(C2C(CCC)CNC)cccc3)c1
+c1ccc2c(c(C(=O)OC)sc2c1)CBr
+c1ccc2c(c1)c3c(cccc3)n2CCCN=[N+]=[N-]
+c1ccc2c(c1NC(C)=O)C(=O)CCCC2
+c1ccc2c(c3c(cccc3)n2CCCN(CC)S(=O)(=O)c4ccccc4[N+](=O)[O-])c1
+c1ccc2c(c3ccccc3n2-c4cccc(-c5cc6c(n(c7ccccc67)C(C)=O)cc5)c4)c1
+c1ccc2c3cc(Br)ccc3nc(Cl)c2c1
+c1ccc2cc(sc2c1)-c3cc(cc4c[nH]nc34)C(=O)O
+c1ccc2cc3c(cc2c1)cc(cc3)Cn4c(CCCC)nc(Cl)c4C=O
+c1ccc2ccc3c4c(ccc1c24)ccc3COCCCCCN
+c1cccc(C(C2=NNC(N2CC(CC)C)=S)O)c1Cl
+c1cccc(C2(Cl)c3c(ccc(c3)C#N)NC2=O)c1OC
+c1cccc(CC(OC)=O)c1OC(C=C)CC
+c1cccc(CCCCCCCCC)c1CBr
+c1cccc(c1C(O)C=C)SCC#C
+c1cccc(c1C)-c2n3c(c(C)n2)c(nc4ccc(F)cc34)C
+c1cccc(c1O)C=2C(c3c(cc(O)cc3)OC=2)=O
+c1cccc(c1OCC(OCC)=O)Oc2c(Cl)cc(F)c(N=C=O)c2
+c1cccc(c1OCCC)-c2nc(cc(n2)O)C(=O)NC
+c1cccc2-c3ccccc3C(c12)COC(=O)NCCOC(c4ccc(cc4)N)=O
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+c1ccccc1-n2c3c(c4ccc(Cl)cc24)cccc3
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+c1ccccc1C(=O)Nc2ccc(cc2)CN3C(=O)C(CCC(NO)=O)=CC3
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+c1ccccc1C(=O)c2cc3cc(ccc3o2)O
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+c1ccccc1C(C)(COC2OCCCC2)CCCCCN
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+c1ccccc1C(C=Cc2ccc(cc2F)C=CC(O)=O)=O
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+c1ccccc1C(CCC2COC(N)=N2)C
+c1ccccc1C(CCCCCn2c(nc3c2c4c([n+]([O-])c3)cccc4)CCCC)=O
+c1ccccc1C(CCN)Nc2nccc(n2)-c3n[nH]c4nc(NCCN5CCOCC5)ncc34
+c1ccccc1C(CCN2CCC(CC2)CCCc3ccccc3)Cl
+c1ccccc1C(CCN2c3c(N(c4ccccc4F)S2(=O)=O)cccc3)NC
+c1ccccc1C(CCl)CN2CCOCC2
+c1ccccc1C(CNC(=O)C)=NNC(N)=S
+c1ccccc1C(CNC)c2ccc3[nH]ccc3c2
+c1ccccc1C(CNc2nc(nc3sc(cc23)C)C)=O
+c1ccccc1C(CO)CC=C
+c1ccccc1C(CO)NC(=O)c2cnc3c(cnn3CC)c2NC4CCOCC4
+c1ccccc1C(F)(F)C(F)(F)c2ccccc2CC#N
+c1ccccc1C(N2CC3(CN(C3)C(NCc4ccc(cc4Cl)Cl)=O)C2)=O
+c1ccccc1C(N2CCn3c(ccc3C2)CN4CCOCC4)=O
+c1ccccc1C(NC(=O)CC2CCC(CC2)=O)C
+c1ccccc1C(NC(=S)Nc2cc(cc(Br)c2)OCc3ccccc3)=O
+c1ccccc1C(NC(C2CCN(CC2)C)=O)C(NC3CCCC(N4c5cccc(Cl)c5-c6noc(c6C4=O)C)C3)=O
+c1ccccc1C(NC=2C=CN(C(N=2)=O)C3OC(CN=[N+]=[N-])C(O)C3O)=O
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+c1ccccc1C(Nc2ccc(cc2)Cc3cn(C)c4ccc(C(=O)NO)cc34)=O
+c1ccccc1C(Nc2ccc3C(CC(=O)c3c2)C)=O
+c1ccccc1C(Nc2n3c(ccc(-c4ccccc4)n3)nc2)=O
+c1ccccc1C(Nc2nccc(-c3c(c[nH]c3-c4ccc(cc4)F)C5=CCN(C(OCC=C)=O)CC5)c2)C
+c1ccccc1C(Nc2nccc(c2)-c3c(-c4ccc(cc4)OC)nc(N)s3)=O
+c1ccccc1C(O)(C)CCOS(=O)(=O)c2ccc(cc2)C
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+c1ccccc1C(O)C2NC(Cc3ccc(NC(Cc4nc(N)sc4)=O)c(Br)c3)CC2
+c1ccccc1C(OC(=O)Nc2c(nnn2C)-c3ccc(cc3)C4CCC(CC4)CC(O)=O)C
+c1ccccc1C(OCOC(=O)C2Cc3c(n(C(c4ccccc4)=O)c5c3cccc5)CC2)=O
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+c1ccccc1C(c2cc(c(N3CC(C)OC(C3)C)c(c2F)F)C=O)=O
+c1ccccc1C(c2cc(c(cc2O)OC(CC(C)C)C)C(C)(C)CC)=O
+c1ccccc1C(c2ccc(OCc3nnn[nH]3)c(Cl)c2Cl)=O
+c1ccccc1C(c2ccc(cc2)C(=O)NCCCCCCCCCCC(O)=O)=O
+c1ccccc1C(c2ccc(cc2)COCCN(CC)c3ccccc3)=O
+c1ccccc1C(c2ccccc2)(C3CN(Cc4ccc5OCOc5c4)CC3)C(N)=O
+c1ccccc1C(c2ccccc2)(CC(N(C)C)C)C(=O)CCCC=C
+c1ccccc1C(c2ccccc2)(c3ccc(cc3)OC)OCC4OC(CC4O)N5C=C(C(NC5=O)=O)C#C
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)CN
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CCO[Si](C)(C)C(C)(C)C)O
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCCC(=O)O
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCC(O[Si](C)(C)C(C)(C)C)CC(C(=O)O)CCCCCCC
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCOCCOS(=O)(=O)c4ccc(cc4)C
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCc4ccc(cc4)C5(CC5)N
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(F)nc(c4)CCCS(=O)(=O)CC
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(c(-c5ccccn5)n4)-c6cc(ncc6)-c7ccc(cc7)N
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(COCC(N(OC)C)=O)c4
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(-c5ccnc(c5)C)c6cc(c(cc46)[N+](=O)[O-])CC=O
+c1ccccc1C(c2ccccc2)=C(C#N)C(=O)Cl
+c1ccccc1C(c2ccccc2)=CCN3CCN(CC3)c4ccc(cc4)C(=N)N
+c1ccccc1C(c2ccccc2)C(=O)N(CC)CC=CCOC(=O)OC
+c1ccccc1C(c2ccccc2)C(C(=O)NC(C)CCCC(C(OCC)=O)N)NC(OC)=O
+c1ccccc1C(c2ccccc2)C3CCN(CC3)c4nc5c([nH]4)cccc5
+c1ccccc1C(c2ccccc2)C3OC3
+c1ccccc1C(c2ccccc2)CCN3CCN(CC3)c4cc(C(N(Cc5ccccc5)C)=O)ccc4
+c1ccccc1C(c2ccccc2)CN(Cc3c(Cl)c(C(F)(F)F)ccc3)CCCOc4ccc(cc4)C(=O)O
+c1ccccc1C(c2ccccc2)CN3CCCN(Cc4ccc(cc4)S(=O)(=O)C)CC3
+c1ccccc1C(c2ccccc2)N3CC(C3)(NCc4ccccc4)CNC(C)C
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CN(C)C(c4c(N)cccc4)=O
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CC4OC(N(CCN5CCOCC5)C4)=O
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCCN4C(=O)C(=O)c5c4cccc5
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCN4C(Nc5cc(ccc45)C(F)(F)F)=O
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCNc4cc(ccc4O)C
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOC(C(C(=O)C)=Cc4cc([N+](=O)[O-])ccc4)=O
+c1ccccc1C(c2ccccc2)N3CCN(CC3)c4c(cc(cc4)NC(=O)C5CCOC5)C#N
+c1ccccc1C(c2ccccc2)NC(=O)N3CCC(CC3)(CN4CCN(CC4)C)c5ccccc5
+c1ccccc1C(c2ccccc2)NC(=O)N3CCN(CC3)CC4(CCN(CC4)C)c5ccccc5
+c1ccccc1C(c2ccccc2)OCC3CCN(CC3)CCN
+c1ccccc1C(c2ccccn2)C(OC)=O
+c1ccccc1C(n2ccc3ccccc23)CCNC
+c1ccccc1C2(C)c3cc(C4CCCCC4)ccc3OC(O2)C(O)=O
+c1ccccc1C2(CCC2)NC(=NC#N)Nc3cc(c(Cl)nc3)N
+c1ccccc1C2(CCCCC2)CCc3onc(-c4ccc(cc4)CN5CC(C5)C(O)=O)n3
+c1ccccc1C2(CCN(CC2)CCCOC(=O)CC(C)=O)c3ccccc3
+c1ccccc1C2(CCN(CC2)CCOCCOC(=O)C(C(C)=O)=Cc3cc([N+]([O-])=O)ccc3)c4ccccc4
+c1ccccc1C2(O)CC(CC#N)CC3CN(C(=O)Cc4c(OC)cccc4)CC23
+c1ccccc1C23C(CCc4c(nc(-c5ccccc5OC)nc24)OC)C(c6oncc6C3)C
+c1ccccc1C2=C(N(Cc3ccc(cc3)C(O)=O)C(c4ccc(C(=O)N)cc24)=O)C(=O)OC
+c1ccccc1C2=CC(C(OCCN(C)C)=O)=C3N(Cc4ccccc34)C2=O
+c1ccccc1C2=CCN(CC(=O)Nc3cc4c(-c5nc(O)c6c(cccc6)c5C4)cc3)CC2
+c1ccccc1C2=NC(C)(C)Cc3c2c4CC(C)(C)Oc4c(OCCO)c3
+c1ccccc1C2C(C)N(C(=O)C(CC=C)CCCC)C(=O)O2
+c1ccccc1C2C(C2)C(Nc3c(-c4ccc(cc4)-c5ccc(cc5)C6(CC6)C(=O)OCC)onc3C)C
+c1ccccc1C2C(CCCCC)=NNC2
+c1ccccc1C2C(CNC2)CN3CCC4(CC3)CCN(Cc5ccc(cc5)Br)C4=O
+c1ccccc1C2C(NCc3c(ccc(C4(CC4)C#N)c3)OC)CCCN2
+c1ccccc1C2C=CCC(NC(=O)C(NC(=O)C(O)CC(C)C)CC(C)C)C(=O)N2CCOC
+c1ccccc1C2CC(CCBr)c3ccccc23
+c1ccccc1C2CC2C3CC(=C)C(=O)N3C
+c1ccccc1C2CCC(CC2)Nc3c(c(ncn3)CC)C#C
+c1ccccc1C2CCCN(C2=O)CC(=O)Nc3ccc(cn3)Cl
+c1ccccc1C2CCCc3sc(nc23)Nc4ccc(cc4)-c5nc(C)ns5
+c1ccccc1C2CCN(CC2)C(=O)C3CNCC34CCCc5ccccc45
+c1ccccc1C2CCc3c(-c4c(C)onc4C)ccc5N(C(=O)N2c35)C
+c1ccccc1C2CN(C(=O)CN=[N+]=[N-])c3ccccc23
+c1ccccc1C2CN(C)CCc3c2ccc(O)c3N
+c1ccccc1C2Cc3c(cnc(N)n3)C(C2)=O
+c1ccccc1C2N3C(=O)N(C(=O)C3(C)Cc4c2[nH]c5ccc(OC)cc45)CCCN
+c1ccccc1C2NCCOC2
+c1ccccc1C2c3c(C(O)C2CC)c(Cl)c(c(OCC(=O)O)c3)Cl
+c1ccccc1C2c3ccc(OC)cc3CCN2
+c1ccccc1C=2C(=O)N(CC3CCCCC3)c4c(c(O)c(C(NCCCC(=O)O)=O)nc4)C=2
+c1ccccc1C=2CCN(CC3CC(CCC3)=O)CC=2
+c1ccccc1C=2CCN(CC=2)C(=O)c3cc([N+](=O)[O-])ccc3N4CCOCC4
+c1ccccc1C=2CCN(CC=2)CCC#Cc3ncc(NCCC)cc3
+c1ccccc1C=2CCN(CC=2)CCCCc3c[nH]c4ccc(cc34)C(=O)OCC
+c1ccccc1C=2CCN(CCCCN(C(OCC)=O)c3c(C(=O)N)ccc(c3)[N+]([O-])=O)CC=2
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4cccc(C)c4
+c1ccccc1C=2OC(C(N=2)=Cc3cc(Cl)ccc3Sc4cccs4)=O
+c1ccccc1C=2c3c(ccc(Cl)c3)-n4c(nnc4CN=2)CC(OC)=O
+c1ccccc1C=2c3cc(ccc3-n4c(CN=2)ncc4)Br
+c1ccccc1C=C(Cc2cccc(c2C)F)[N+](=O)[O-]
+c1ccccc1C=C2c3nc(C)c(cc3CCC2)C=O
+c1ccccc1C=CC(=O)N(CC(=O)N2CCC(N)C2)c3ccc(cc3)Oc4ccccc4
+c1ccccc1C=Cc2cc(OC)nc(OC)n2
+c1ccccc1C=Cc2cc(ccn2)-c3[nH]c(C(C)C)c(C(N)=O)c3
+c1ccccc1C=Cc2nc(nc(N3CCC(C3)N)c2)N
+c1ccccc1CC(=O)N2CC(CC2)Nc3nc4c(c(n3)N5CCNCC5)cccc4
+c1ccccc1CC(=O)N2N=C(c3ccc(c(OC)c3)OC)CC2
+c1ccccc1CC(C#N)C(O)=O
+c1ccccc1CC(C(C(F)(F)C(=O)OCC)O)NC(=O)OCc2ccccc2
+c1ccccc1CC(C(O)C(O)=O)NC(=O)c2cc(cc(c2C)OC(C)=O)C
+c1ccccc1CC(C(OCC)=O)NC(Cn2c3c(cc2)cc(cc3)[N+](=O)[O-])=O
+c1ccccc1CC(NC(=O)Cc2c3c(ccc(O)c3)[nH]c2)c4n(Cc5ccccc5OC)ccn4
+c1ccccc1CC(NC(C2N(C(=O)CC2)Cc3ccccc3)=O)C(=O)C(NCc4ccccn4)=O
+c1ccccc1CC(NC(CN)=O)C(=O)NCC(O)=O
+c1ccccc1CC(NCCc2c3c(ccc2)ccc(c3)C(=O)Cl)=O
+c1ccccc1CC(Nc2c(c(O)ncc2)-c3nc4c(C)cc(cc4[nH]3)Br)CO
+c1ccccc1CC2(C(=O)NC(C(OC)=O)C(C)OC(=O)C)NCCC2
+c1ccccc1CC2CC=C(N3CCCC3)CC2
+c1ccccc1CC2CCC(CC2)N
+c1ccccc1CC=2C(N3CCSC3=NC=2C(CC)N)=O
+c1ccccc1CCC(C(NC(CC(C)C)C(Nc2ccccc2)=O)=O)CSC(C)=O
+c1ccccc1CCC(CC(O)=O)C
+c1ccccc1CCC(NC2CSC(CN(CC(O)=O)C2=O)c3ccco3)C(O)=O
+c1ccccc1CCCC(C(=O)C)c2nc(C)c3C(=O)NC(=Nn23)Cc4cccc5ccccc45
+c1ccccc1CCCC(C(=O)C)n2cnc3c(O)nc(nc23)Cc4cc(c(cc4)Cl)OC(F)F
+c1ccccc1CCCC(CCCc2ccccc2)NC(=O)C3N(C(C4NCCCC4)=O)CCCC3
+c1ccccc1CCCC(CCCc2ccccc2)NC(C3CCN(CC3)CC(COc4cc5cccnc5cc4)O)=O
+c1ccccc1CCCC2CCCCCCCCCCC2
+c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2
+c1ccccc1CCCCC(C(O)=O)Cc2ccccc2
+c1ccccc1CCCCCCC(C(=N)OC)O
+c1ccccc1CCCCN(C)C
+c1ccccc1CCCCOCCC(CCC=C)=O
+c1ccccc1CCCN(Cc2cccc(c2)-c3cnc(C(=O)OCC)cc3)C
+c1ccccc1CCCN2c3nc(ncc3N(C(=O)C(F)(F)C2)C)Nc4ccc(cc4OC)C(=O)NC5CCOCC5
+c1ccccc1CCCNc2cccc(Sc3ccc(cc3)CC(O)=O)c2
+c1ccccc1CCCOc2cc(ccc2OC)C3CNC(=O)C3
+c1ccccc1CCCc2cc(ccc2)N=C=O
+c1ccccc1CCCc2cn(nn2)-c3sc(C(NCc4cnccc4)=O)c(C)n3
+c1ccccc1CCN(CCc2ccc(cc2)Oc3ncc(C(=O)N)cc3)Cc4ccccc4
+c1ccccc1CCN2C3CC(CC2CC3)=C(c4ccc(cc4)C(=O)N)c5ccccc5
+c1ccccc1CCN2c3c4c(cnc3CCC2)cccc4
+c1ccccc1CCNC=2C(N(CC(=O)O)C(C)=CN=2)=O
+c1ccccc1CCNCc2c(OCCCN3CCOCC3)c(OC)ccc2
+c1ccccc1CCNCc2cc(OC)ccc2OCCCN(C)C
+c1ccccc1CCNc2c(cc(cc2S(=O)(=O)N)C(O)=O)NCc3ccccc3
+c1ccccc1CCOCCCI
+c1ccccc1CCOc2ccc(cc2OCc3ccccn3)C=O
+c1ccccc1CCS(=O)(=O)Nc2c(Oc3cc(OC)ccc3)c(nc(N4CCOCC4)n2)OCCO
+c1ccccc1CCS(=O)(=O)Nc2ncnc(OCCOc3ncccn3)c2-c4ccc(cc4)C
+c1ccccc1CCSc2ccc(cc2)CC3SC(=O)NC3=O
+c1ccccc1CCc2cc3c(cc2)[nH]c4ncc(cc34)Nc5cccc(OC)c5
+c1ccccc1CN(CCC(c2ccccc2Cl)(CCN3CCCCC3)C(N)=O)C(C)C
+c1ccccc1CN(CCCCCCOCCCc2ccccn2)CC(c3ccc(O)c(CO)c3)=O
+c1ccccc1CN(Cc2ccccc2)C(C(=O)NCc3ccc(cc3)F)COC(F)F
+c1ccccc1CN(Cc2ccccc2)C(C(Oc3ccc(cc3N)F)C4CC4)C(=O)O
+c1ccccc1CN(Cc2ccccc2)C(COC(=O)N3CCC(CC3)Nc4ccccc4S(=O)(=O)c5ccccc5)C
+c1ccccc1CN(Cc2ccccc2)CCCC(=O)N
+c1ccccc1CN(Cc2ccccc2)c3c(COC)c([N+](=O)[O-])ccc3
+c1ccccc1CN(Cc2ccccc2)c3c4ncn(c4c5ccccc5n3)CCCCSc6ccccc6
+c1ccccc1CN(Cc2ccccc2)c3nccc4cc([nH]c34)C(O)c5ccccc5
+c1ccccc1CN2C(=NC3=C(C2=O)CCCN3)C(N(C(=O)c4ccc(cc4)Br)CCN(C)C)CC
+c1ccccc1CN2C(=O)C=3CCCC=3N=C2C(N(CCN(C)C)C(=O)c4ccc(cc4)Br)CC
+c1ccccc1CN2C(=O)c3c(cccc3)C(=N2)Cc4c(C)n(CC(=O)O)c5ccc(Cl)cc45
+c1ccccc1CN2C3(CC3)CN(CC2)c4cc5c(cccc5)c(c4)CC(=O)N
+c1ccccc1CN2C3(CCN(CC3)C(=S)Nc4ccccc4)NC(Cc5ccccc5)C2=O
+c1ccccc1CN2CC(NCc3ccc(F)cc3F)CC2C(=O)N4CCN(CC4)c5ccc(cc5)C(C)=O
+c1ccccc1CN2CC3CC(C2)c4nc(C)ncc34
+c1ccccc1CN2CC3c4c(ccc(c4)OC)CC3C2
+c1ccccc1CN2CCC(CC2)N(CCCCOCCBr)C(C)C
+c1ccccc1CN2CCCc3c2cc(Cc4c(C(C)C)ccc(Br)c4)cc3
+c1ccccc1CN2CCN(CC2)CCC(Nc3ccc4CCNCCc4c3)=O
+c1ccccc1CN2CCN(CC2=O)c3ncc(cc3)N
+c1ccccc1CN2c3c(ccc(c3CCC2=O)CC4SC(NC4=O)=O)OCCCC
+c1ccccc1CN2c3ccccc3C(c4ccccc4)(O)C2=O
+c1ccccc1CNC(=O)Nc2ccc(cc2OC)-c3c4c(n(C5CCCC5)c3)ncnc4N
+c1ccccc1CNC(CN2CCc3cc(c(cc3C2Cc4ccc(OCCCC)c(OC)c4)OC)OC)=O
+c1ccccc1CNC(COc2ccc(cc2)-c3c(c(CN4C(=O)CCC4=O)nc5c3c6CCS(=O)Cc6s5)Cl)=O
+c1ccccc1CNC(Nc2cccc(-c3cnc(N)c(n3)C(=O)NC)c2)=O
+c1ccccc1CNC(c2cc(N3NC=C(C3=O)c4cccnc4)ncc2)=O
+c1ccccc1CNC(c2cc(ccc2)-c3ccc(cc3)CC4SC(=O)NC4=O)=O
+c1ccccc1CNC(c2cnc3[nH]ccc3c2)=O
+c1ccccc1CNC(c2sc(NC(CC)=O)nc2C)=O
+c1ccccc1CNCCCCCCOCCC#C
+c1ccccc1CNCCc2c3c(ccc(F)c3OCC)n(c2)C
+c1ccccc1CNCc2cc(ccc2Oc3cccc(c3)CC(OC)=O)Br
+c1ccccc1CNCc2ccc(cc2)-c3cnc4n(ncc4-c5ccccc5)c3
+c1ccccc1CNc2c(cnc(c2)Nc3ccncc3)CC(N)=O
+c1ccccc1CNc2nc(nc(OCC3CCCCC3)c2)N
+c1ccccc1COC(=O)C2CC(C2)Oc3c(C)cc(cc3C)-c4nc5c(nc(Oc6c(cccc6)F)nc5)o4
+c1ccccc1COC(=O)C2OCCN(C2)C(CCl)=O
+c1ccccc1COC(=O)N2CCCC2c3ccc(c(c3)F)Br
+c1ccccc1COC(=O)NC(C(=O)NCCCCC=O)CCS
+c1ccccc1COC(=O)NC(C(C)C)C(C(O)=O)OC(=O)C
+c1ccccc1COC(=O)NC(CN)COC
+c1ccccc1COC(=O)NC(Cc2c[nH]cn2)C(=O)N3C(CCC3)C(NCCO)=O
+c1ccccc1COC(=O)NC(Cn2ncc3c2c4C=CCOc4cc3)C
+c1ccccc1COC(=O)NC2C(N(C(=C(C)C)C(OC)=O)C2=O)CCO
+c1ccccc1COC(=O)NCC2CC(N3c4c(ccnc4)-c5noc(C)c5C3=O)CCC2
+c1ccccc1COC(=O)NCCNC(c2ccccc2O)=O
+c1ccccc1COC(=O)NCCS(=O)(=O)NCC(=O)OC
+c1ccccc1COC(=O)Nc2cc(I)cnc2OC
+c1ccccc1COC(=O)Nc2ccc(cc2O)NC(=O)C
+c1ccccc1COC(=O)c2ccc(c(F)c2)C(=O)O
+c1ccccc1COC(=O)c2ccc(cc2)-c3cc(C)c(c(c3)C)OCCOS(=O)(=O)C
+c1ccccc1COC(C(CC(C)C)C(O)=O)C(OC)=O
+c1ccccc1COC(C(CC(C)C)O)=O
+c1ccccc1COC(C(N)C(C)OCc2ccccc2)=O
+c1ccccc1COC(C)c2cc(c(nc2)SC)Cl
+c1ccccc1COC(CCO)CCCCCCCCCCC
+c1ccccc1COC(N(C)CC(=O)N(C)c2ccc(cc2)COC)=O
+c1ccccc1COC(N2CC(CCn3ncc4ccccc34)NCC2)=O
+c1ccccc1COC(N2CCCC2c3ccc(cc3)-c4cc(NC(C5CC5)=O)ccc4)=O
+c1ccccc1COC(N2CCN(Cc3cccc(-c4cc(ccc4F)CN)c3)CC2C)=O
+c1ccccc1COC(N2Cc3oc(-c4ccccn4)nc3CCC2)=O
+c1ccccc1COC(NC(C(=O)O)Cc2ccc(cc2)OCCCC(=O)NC3=NCCN3)=O
+c1ccccc1COC(NC(C(N2c3c(cccc3)C(C)(C)C2C(NCCCC)=O)=O)CC)=O
+c1ccccc1COC(NC(C(NC(CC(C)C)C(=O)OC)=O)CC(=O)N)=O
+c1ccccc1COC(NC(C(NCC(NC(c2cc3c(o2)cccc3)=O)C(C)C)=O)C(C)C)=O
+c1ccccc1COC(NC(C(Nc2ccc(O)c(C(OC)=O)c2)=O)CC(C)C)=O
+c1ccccc1COC(NC(C)(C)C(NC(CCc2ccccc2)C(OCC=C)=O)=O)=O
+c1ccccc1COC(NC(COCC=C)C(=O)O)=O
+c1ccccc1COC(NC(COS(=O)(=O)C)C)=O
+c1ccccc1COC(NC(Cc2cn(CC=C)cn2)C(=O)NC(C(C)C)COCC=C)=O
+c1ccccc1COC(NC(Cn2c3c(ccc4oc(C(N)=O)cc34)cn2)C)=O
+c1ccccc1COC(NC2C(NC(c3ccc(cc3)N4C=CC=CC4=O)=O)CN(C)CC2)=O
+c1ccccc1COC(NC2CCN(C3CCC(N(Cc4ccc(cc4)OC)C)CC3NC(C)=O)C2=O)=O
+c1ccccc1COC(NCC(C(=O)NC)C)=O
+c1ccccc1COC(NCC2Cc3c(c4c(CCC4)cc3Cl)O2)=O
+c1ccccc1COC(Nc2c(CCCC)cc(cc2F)CBr)=O
+c1ccccc1COC(c2c(C(=O)c3cc(c(cc3)N)N)cccc2)=O
+c1ccccc1COC(c2c(ccc(c2)COC(C)=O)OC)=O
+c1ccccc1COC(c2cc(ccc2N)C#N)=O
+c1ccccc1COC(c2ccc(cc2)CC(C)=O)=O
+c1ccccc1COC2=C(C(O)C)OC=CC2=O
+c1ccccc1COC2=C(C(OCC)C)OC(C)=CC2=O
+c1ccccc1COC2CCCCC2NC(Nc3c(c(S(=O)(=O)N)c(Cl)cc3)O)=O
+c1ccccc1COCC(=O)N2CCCN(c3c(Cl)cc(Cl)cc3)CC2
+c1ccccc1COCC(C)(C)C(N(c2ccccc2)CC(O)=O)=O
+c1ccccc1COCC(CCC=O)OS(=O)(=O)C
+c1ccccc1COCC(OCC=NO)CC=C
+c1ccccc1COCC2C(CC=CC2)CC#N
+c1ccccc1COCC2CC(CN2S(=O)(=O)c3cc4c(cc3)cccc4)O
+c1ccccc1COCCCCCCCCCCCS
+c1ccccc1COCCCN2C(Nc3c(cc(OC)cc3)C2=O)=O
+c1ccccc1COCc2nc(N)nc(c2-c3cc(c(N)cc3)CC)N
+c1ccccc1COCc2ncnc(Cl)c2I
+c1ccccc1COc2c(-c3nnnn3CCCOC)cc(c(OCc4ccccc4)c2)Br
+c1ccccc1COc2c(C(C)C)cc(-c3onc(c3)C(NCC)=O)c(OCc4ccccc4)c2
+c1ccccc1COc2c(C)c(OC)c(cc2)C=O
+c1ccccc1COc2c(C=CC(O)CC(O)CC(=O)O)c(Cl)cc(c2)Cl
+c1ccccc1COc2c(CC(OC)=O)cc(cc2Br)Br
+c1ccccc1COc2c(Cl)cc(cc2)-c3cc(F)ccc3NC(=O)OC4CCNCC4
+c1ccccc1COc2c(Cl)cc(cc2)Nc3c(cnc4cc(OCC)c(cc34)NC(C=CCN(C)C)=O)C#N
+c1ccccc1COc2c(I)ccc([N+](=O)[O-])c2
+c1ccccc1COc2c(N)c(ncc2)N
+c1ccccc1COc2c(OCC(O)=O)c(n(-c3ccc(cc3)OC)c2C(=O)OCC)C(=O)OCC
+c1ccccc1COc2c(OCc3ccccc3)ccc(C=4Oc5ccccc5C(=O)C=4OCc6ccccc6)c2
+c1ccccc1COc2c(c(SC)cc(C=O)c2)OCCC
+c1ccccc1COc2c(c(cc(Br)c2)C)N
+c1ccccc1COc2c(c(cc(OCc3ccccc3)c2)Oc4ccc(cc4)[N+]([O-])=O)-c5onc(C(=O)NCCF)c5
+c1ccccc1COc2c(cc(C(=O)C)c(c2)N)OC
+c1ccccc1COc2c(cc(CN(CCc3ccccn3)C(=O)CCCCc4ccccc4)cc2)COS(=O)(=O)C
+c1ccccc1COc2c(cc(OCC3OC3)cc2)C(C)=O
+c1ccccc1COc2c(cc(cc2)C(OC)=O)C=O
+c1ccccc1COc2c(cc(cc2)Oc3ccccc3)C=O
+c1ccccc1COc2c(cc(nc2)C(=O)N=[N+]=[N-])O
+c1ccccc1COc2c(ccc(C=O)c2Cl)O
+c1ccccc1COc2c(ccc(OCOC)c2)C=O
+c1ccccc1COc2c(ccc(OCc3ccccc3)c2)CCl
+c1ccccc1COc2c(cccc2CC(CSCCC(N)=O)O)C3CCCC3
+c1ccccc1COc2c(cnc(C)c2OC)C(NCc3ccc(cc3)F)=O
+c1ccccc1COc2c3c(cccn3)c4C(CCl)CN(C(=O)c5[nH]c6c(c5)cc(OCCN(C)C)cc6)c4c2
+c1ccccc1COc2c3c(nc(N)n2)n(CC4C(CC=CC4)COC(=O)C)cn3
+c1ccccc1COc2c3n(ccc2)cnc3
+c1ccccc1COc2cc(-c3c4c(N)ncnc4n(C5CC(C5)CNC(NCCCC)=O)c3)ccc2
+c1ccccc1COc2cc(C(O)(C)CCCCCC)ccc2
+c1ccccc1COc2cc(COC3OCCCC3)ccc2I
+c1ccccc1COc2cc(Cl)cn3ncc(CO)c23
+c1ccccc1COc2cc(NN)ncc2
+c1ccccc1COc2cc(c(N)cc2OC)C#N
+c1ccccc1COc2cc(cc(F)c2-c3sc(nn3)N)Br
+c1ccccc1COc2cc(cc3nc(n(CCOC)c23)C)C(N(CCO)C)=O
+c1ccccc1COc2cc(ccc2)C(C(C)(C)O)S(=O)(=O)N
+c1ccccc1COc2cc(ccc2)C=CCOCC=C
+c1ccccc1COc2cc(ccc2O)CC(O)=O
+c1ccccc1COc2cc3C=CC(C)(C)Oc3cc2
+c1ccccc1COc2cc3C=CCc3cc2
+c1ccccc1COc2cc3c(C#N)nc(C(=O)NCC(O)=O)c(O)c3cc2
+c1ccccc1COc2cc3ccc(C=CC4CCC(CC4)CCCCC)cc3cc2
+c1ccccc1COc2cc3n(C4OCCCC4)nc(CO)c3cc2
+c1ccccc1COc2cc3n(nc(c3-c4sc(c(n4)-c5c(cccc5)F)C(=O)OCC)C)cc2
+c1ccccc1COc2cc3nccc(c3nc2)Cl
+c1ccccc1COc2cc3onc(NC(OCC)=O)c3cc2
+c1ccccc1COc2ccc(-c3[nH]nnn3)c(OC)c2
+c1ccccc1COc2ccc(C(=O)Cl)cc2Cl
+c1ccccc1COc2ccc(Cl)cc2Cn3cc(NC(c4c(Cl)cccc4F)=O)cn3
+c1ccccc1COc2ccc(N)cc2CO
+c1ccccc1COc2ccc(c(F)c2)-c3cc(N)[nH]n3
+c1ccccc1COc2ccc(c3SC(=O)Nc23)C(CBr)=O
+c1ccccc1COc2ccc(cc2)-c3occ(n3)CCl
+c1ccccc1COc2ccc(cc2)-n3c(C)c(C=NO)c4cc(F)ccc34
+c1ccccc1COc2ccc(cc2)C(C(=O)Nc3sccn3)CC4CCCC4
+c1ccccc1COc2ccc(cc2)C=3OC(SN=3)=O
+c1ccccc1COc2ccc(cc2)CCCNc3ccc(cc3)C(OCC)=O
+c1ccccc1COc2ccc(cc2)OCC(CNCCNC(N3CCOCC3)=O)O
+c1ccccc1COc2ccc(cc2)SCCCBr
+c1ccccc1COc2ccc(cc2CC)O
+c1ccccc1COc2ccc(cc2Cn3nc(cc3C)C4=NCCN4)Cl
+c1ccccc1COc2ccc3c(CCC45C(CN(C(=O)C)C4)CCC35)c2
+c1ccccc1COc2ccc3c(c2)OC(=O)C=C3CCBr
+c1ccccc1COc2cccc(C=O)c2C
+c1ccccc1COc2cccc(NC)c2[N+](=O)[O-]
+c1ccccc1COc2cccc([N+](=O)[O-])c2NC(C)=O
+c1ccccc1COc2ccccc2OCc3nc[nH]c3
+c1ccccc1COc2ccsc2C(N(C)OC)=O
+c1ccccc1COc2ncc3nc([nH]c3n2)-c4c(cc(OCc5ccccc5)cc4)OC
+c1ccccc1COc2nnc(C#Cc3cc(Cl)ccc3)cc2OCc4ccccc4
+c1ccccc1CS(=O)(=O)NC2=CC=C(N(CC(O)=O)C2=O)C
+c1ccccc1CS(=O)(=O)c2cc(C(O)=O)cc(S(=O)(=O)N)c2Cl
+c1ccccc1CS(=O)(=O)n2cc(C=CC(=O)NOC3OCCCC3)cc2
+c1ccccc1CS(c2cc(nc3c(cnn23)C=C4NC(=O)NC4=O)Nc5cc(Cl)ccc5)=O
+c1ccccc1CSc2c(c(N3CCCC3=O)ccc2)C
+c1ccccc1CSc2c(cc(cc2)[N+]([O-])=O)CCOC
+c1ccccc1CSc2cccc(c2C)-c3cccnc3
+c1ccccc1Cc2c(-c3ccc(cc3)-c4ccc(cc4)CO)c5c(cccc5)o2
+c1ccccc1Cc2c(ccc(-c3ccc(CCC#N)cc3CC(C)C)c2)O
+c1ccccc1Cc2c3ccccc3ccc2CCl
+c1ccccc1Cc2cccc(C(=N)OC)n2
+c1ccccc1Cc2cccc(c2)-c3nc(c(N)c(n3)O)N
+c1ccccc1Cc2nc(no2)CCCN3C(N(CCCC)c4c([nH]c(Cl)n4)C3=O)=O
+c1ccccc1Cc2nnc(N3CCN(c4ncc(cc4)C#N)C(C)C3)c5ccccc25
+c1ccccc1Cc2sc(NC(=O)CCC(c3cc(c(OC)cc3)CC)=O)cc2-c4ccccc4
+c1ccccc1Cn2c(CC)cc3c(O)cccc23
+c1ccccc1Cn2c(CN)nnn2
+c1ccccc1Cn2c(cc3c2cccc3OCC(OC)=O)C
+c1ccccc1Cn2c3C(N(c4c(cccc4)-c3nc2C5CCCC(C5)N)C)=O
+c1ccccc1Cn2c3c(c(C(N)=O)ccc3)c4c2cccc4OCC(O)=O
+c1ccccc1Cn2cc(Cc3ccc(C(=O)OC)cc3OC)c4cc(NC(CCCCC)=O)ccc24
+c1ccccc1Cn2nnc(c2)-c3c(cc(cc3)N4CC(OC4=O)Cn5nnc(c5)C)F
+c1ccccc1N(C(=O)C2CCc3n(c4ccc(cc4c3C2)C#N)CC(OCC)=O)C
+c1ccccc1N(C(C)=O)c2ccnc3ccccc23
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+c1ccccc1N(CC)CC(O)CO
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+c1ccccc1N(c2ccccc2)CC(=O)N3CCN(CC3)C(c4ccc(cc4)Cl)c5ccccc5
+c1ccccc1N2C(=O)C(=C(N2CC(C)(C)O)C)C(Nc3ccc(cc3)-c4cccc5c(nccc45)NCCN(C)C)=O
+c1ccccc1N2C(=O)CC(=O)N(C)C2=O
+c1ccccc1N2C(=O)c3c(C=C2C(C)Nc4nc(ncc4C#N)N)cccc3-c5cn(nc5)C
+c1ccccc1N2C(C(CC2=O)CN(C)C)c3cccc(OC)c3
+c1ccccc1N2C(C3=CNC=C(C(NCCC)=O)C3=N2)=O
+c1ccccc1N2CCN(CC2)CCCOc3c(Cl)ccc(N)c3
+c1ccccc1N2CCN3C2=NC=C(c4ccc(Oc5c6c(cc(I)s6)ncc5)c(F)c4)C3=O
+c1ccccc1N2N(C(=C(C(=O)Nc3ccc(Oc4ncnc(NC(=O)N5CCCC5)c4)c(F)c3)C2=O)C)CC(C)(C)O
+c1ccccc1N2N(C(=C(C2=O)C(Nc3cc(c(Oc4ccnc(c4)C(N)=O)cc3Cl)F)=O)C)C
+c1ccccc1N2c3c(nc(NCc4c(OC)cc(OC)cc4)cc3)CN(Cc5ccccc5)C2=O
+c1ccccc1NC(=O)NCC2CCN(CC2)c3ncc(cc3NC(=O)c4cc(Cl)ccc4)S(=O)(=O)C
+c1ccccc1NC(=O)Nc2c(cnn2C)C(=O)OCC
+c1ccccc1NC(=O)Nc2ccc(cc2)-c3c(c(cc4ccc(Cl)cc34)CC(=O)O)C
+c1ccccc1NC(=O)c2c(Cl)cccc2C
+c1ccccc1NC(=O)c2cccc(-c3ccnc4n3ncc4C(c5sccc5)=O)c2
+c1ccccc1NC(=O)c2cccc(N3Cc4c(CC3)nc(SC)nc4)n2
+c1ccccc1NC(=S)Nc2c([nH]c3c2cccc3)C(OCC)=O
+c1ccccc1NC(C(c2ccc(cc2)C(=O)Nc3cc(-c4ccsc4)ccc3N)CNC(C)=O)=O
+c1ccccc1NC(Nc2ccc(cc2)CCl)=O
+c1ccccc1NC(c2cnc(cn2)N3CC(C3)Oc4cc(ccc4Br)F)=O
+c1ccccc1NC=2C(N(C=CC=2)C(C(NCc3ccc4c(noc4c3)N)=O)OCC)=O
+c1ccccc1NCC(N(C)C(CN2CC(OCCOCCOCCOCCOCCOC)CC2)c3ccccc3)=O
+c1ccccc1Nc2c(C(Nc3ccccc3Cl)=O)cnc(c2)NC(NCC)=O
+c1ccccc1Nc2c(Cl)cnc(Nc3ccc(cc3)C(NCCCn4ccnc4)=O)n2
+c1ccccc1Nc2c(N)ccc(N3CCN(CC3)C(C)=O)c2
+c1ccccc1Nc2c3ccc(Cl)nc3ncn2
+c1ccccc1Nc2c3ncn(C)c3nc(n2)NC(CO)CC
+c1ccccc1Nc2cccc(c2)-c3ncn(-c4c(C)cccc4C)c3
+c1ccccc1Nc2cccc(c2CN)-c3ccccc3
+c1ccccc1Nc2ccccc2S
+c1ccccc1Nc2ccnc3[nH]c4CCN(C(C)=O)Cc4c23
+c1ccccc1Nc2nc(C)cc(n2)CCl
+c1ccccc1Nc2ncc(c(-c3c[nH]c(C(NC(c4ccccc4)CO)=O)c3)n2)COC
+c1ccccc1Nc2nn(-c3cc(ncc3)NC(=O)CC4CCCC4)cn2
+c1ccccc1OCC(O)C2N(CCC2)C(C3N(CCC3)C(CCCCCCC)=O)=O
+c1ccccc1OCC(n2c3cc(F)c(cc3nc2-c4ccc(cc4)Cl)F)C5CCCCC5
+c1ccccc1OCC2CCC(CC2)N(C(Nc3ncc(SCC(O)=O)s3)=O)C4CCCCC4
+c1ccccc1OCC2OCCN(S(=O)(=O)c3c(C(N)=O)[nH]c4c(cc(Cl)cc34)NC(CCC(O)=O)=O)C2
+c1ccccc1OCCC(CO)N
+c1ccccc1OCCC(N(C)C)C
+c1ccccc1OCCC2CN(C)CCN2
+c1ccccc1OCCCCC(CCl)C
+c1ccccc1OCCCCCCCCCCCNc2ccc(cc2)C(=O)O
+c1ccccc1OCCCCCOc2cc(ccc2)N
+c1ccccc1OCCn2c(CCCC)nc3cnc4c(cccc4)c23
+c1ccccc1OCc2oc3ccc(cc3c2)CN
+c1ccccc1Oc2c(NC(=O)CCC)cc(Cl)cc2
+c1ccccc1Oc2c([N+](=O)[O-])c(OC)ccc2Br
+c1ccccc1Oc2c(cc(N)cc2)C
+c1ccccc1Oc2c(cnc(N3CCOCC3)c2)C(O)=O
+c1ccccc1Oc2c3CCCC(=O)c3nc(C)c2
+c1ccccc1Oc2cc(C(C#N)COC(=O)C)ccc2
+c1ccccc1Oc2cc(c(-c3c4c(n(CC(C)NC(=O)CC#N)n3)ncnc4N)cc2)F
+c1ccccc1Oc2cc(ccc2)C(C#N)OC(=O)C(C(C)C)c3ccc(cc3)N=[N+]=[N-]
+c1ccccc1Oc2cc(ccc2F)C(OC(=O)C3C(C=C(c4ccc(cc4)Cl)Br)C3(C)C)C#N
+c1ccccc1Oc2cc3c(cc2)[nH]cc3
+c1ccccc1Oc2ccc(C(O)=O)nc2
+c1ccccc1Oc2ccc(cc2)COc3c(F)cc(cc3)CCC(O)=O
+c1ccccc1Oc2ccc(cc2)OCC3NCCC3
+c1ccccc1Oc2ccc3CC(C(=O)c4oc(cn4)-c5nc(C(=O)O)ccc5)CCc3c2
+c1ccccc1Oc2ccc3c(nc(o3)-c4ccc(C=O)cc4F)c2
+c1ccccc1Oc2cccc(Oc3ccccc3)c2C(=O)N(C)C
+c1ccccc1Oc2nc(c(C)c3n(CCOCC#Cc4ccccc4)c(C)nc23)C
+c1ccccc1Oc2nc(c(c(C)n2)C(NCCCc3ccccc3)=O)-c4cc(Cl)cc(Cl)c4
+c1ccccc1Oc2nc(c(nc2)N)N3CCOCC3
+c1ccccc1Oc2nccc(n2)C(=O)Cl
+c1ccccc1P(c2ccccc2)c3ccc4ccccc4c3-c5c(ccc6ccccc56)NS(=O)(=O)C
+c1ccccc1S(=O)(=NC(c2cc(C#Cc3cc(NC(c4c(cco4)C)=O)ccc3)cnc2)=O)CC(=O)OCC
+c1ccccc1S(=O)(=O)CC(O)Cn2cncc2
+c1ccccc1S(=O)(=O)N2C(CN(Cc3c(CC(=O)OC)ccc(c3)Cl)CC2)C
+c1ccccc1S(=O)(=O)NC(c2ccc(-c3cc(cc(F)c3)OCC(C)C)nc2N4CC(C)CC4(C)C)=O
+c1ccccc1S(=O)(=O)Nc2c(C#Cc3ccccc3)nc(N)cc2
+c1ccccc1S(=O)(=O)Nc2cccc(Sc3ccc4c(CN(C(N)=N4)CCC)c3)c2
+c1ccccc1S(=O)(=O)Nc2cccc(c2)S(=O)c3ccc4N=C(N)N(Cc4c3)CCC
+c1ccccc1S(=O)(=O)c2cc(c(CCC)cc2)S(=O)(=O)NCCc3ccccc3
+c1ccccc1S(=O)(=O)c2cc3OCCN(C(=O)Cl)c3cc2
+c1ccccc1S(=O)(=O)c2ccc3N(C(COc3c2)=O)CCN(C)C
+c1ccccc1S(=O)(=O)c2n[nH]c3c2cc(cc3)OCCNC4CC4
+c1ccccc1S(=O)(=O)n2c3c(cc(OCC=C)cc3)cc2
+c1ccccc1S(=O)(=O)n2cc(c3cc(Br)cnc23)Cc4c(nc(cc4)NCc5c(ncc(c5)F)OC)F
+c1ccccc1S(=O)(=O)n2ccc3cc(cnc23)-c4nn(cc4-c5nc(SC)ncc5)CC#N
+c1ccccc1SCC(Nc2c3ccc(nc3ccc2Cl)N4CC(O)CC4)=O
+c1ccccc1SCCCN(CCO)CCO
+c1ccccc1SCc2onc(n2)C
+c1ccccc1Sc2ccc(cc2C)CC#N
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OC3CCN(CC3)CC(=O)OC
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3CCCN(C3=O)c4c(Cl)cc(N)cc4
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCc3cc(CC#N)ccc3
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3cc4c(cc3)c(n[nH]4)Cl
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3ccc(c(CBr)c3)Cl
+c1ccccc1[Si](c2ccccc2)(N3C(CC3C=NOC)=O)C(C)(C)C
+c1ccccc1[Si](c2ccccc2)(OC3CC(C3)OC(C)=O)C(C)(C)C
+c1ccccc1[Si](c2ccccc2)(OC3CC4OC(CC4C3CCC5(OCCO5)COc6cccc(Cl)c6)O)C(C)(C)C
+c1ccccc1[Si](c2ccccc2)(Oc3ccc(cc3)-c4c(cc(cn4)Br)Cl)C(C)(C)C
+c1cccn1-c2cc(C(=O)NC(=O)Nc3sc4cc(S(=O)(=O)C)ccc4n3)c(cc2)Cl
+c1cccn1-c2cc(ncc2)CCl
+c1cccn1-c2nc(ccc2)C(Nc3c(C(N)=O)nn(C)c3)=O
+c1cccn2c(-c3nc(ncc3Cl)Nc4c(cc(cc4)CC(N5CC(CC5)O)=O)OC)cnc12
+c1cccn2c(cnc12)CO
+c1cccnc1N2C(N(CC(Nc3cc4c(CC5(c6cccnc6NC5=O)C4)cc3)=O)CC2)=O
+c1ccn(c1)-c2c(CN3CCC(CC3)Nc4nc(NCCCN(C)C)nc5ccccc45)cccc2
+c1ccnc(N2CCC(F)C2)c1COc3c(c(ccc3)O)C=O
+c1ccnc(c1)CN(CCCCCCN2CCc3c(cccc3)C2)Cc4ccccc4OC
+c1ccnc2c1CCCC2N(CCCCN)Cc3n(c4ccccc4n3)C
+c1cn[nH]c1C(Nc2cccc(c2)F)=O
+c1cnc(C(=O)Nc2cc(c(-c3cccnc3)nc2N)-c4c(cncc4)F)cn1
+c1cnc(C(=O)c2ccccc2OC)n1CC(c3ccc(c(c3)Cl)Cl)CCO
+c1cnc(C2CCCC(c3c(cccn3)C)N2CCCCn4ccnc4)c(c1)C
+c1cnc(SCOC)n1-c2cccc(C=3CC(Nc4c(ccc(c4)-c5ccccc5F)N=3)=O)c2
+c1cnc2[nH]c(-c3c4nc(OC)c(cc4n(C)c3)OC)cc2c1CNCCc5n(cnc5)C
+c1cnc2c(cc(C=O)cc2)c1I
+c1cncc(CNc2c3nc(ccc3ccc2)-c4cnccc4)c1
+c1cnccc1-c2c(-c3ccc(cc3)F)c4n(cnn4)c(NC(C)(C)c5ccccc5)n2
+c1cnccc1-c2c(-c3ccc(cc3)OCc4cc(OC)c5ccccc5n4)nn(c2)C
+c1cnccc1-c2c(-c3cccc(NC(=O)Nc4c(Cl)cccc4)c3)cn(CC)n2
+c1cnccc1-c2c(nn3CCCNc23)-c4ccc(cc4)F
+c1cnccc1-c2cc(N=C3NCC4(CN5CCC4CC5)O3)ncn2
+c1cnccc1-c2ccc(c(c2)C=O)O
+c1cnccc1-c2ccc(cc2)C(C(Nc3ncccc3)=O)CC4CCCC4
+c1cnccc1-c2cccc3c2C(C(=O)N3)=Cc4c(C)c(CCC(O)=O)c(C)[nH]4
+c1cnccc1-c2ccnc3ccc(C=C4C(=O)NC(=O)S4)cc23
+c1cnccc1-c2ccnc3ccc(cc23)C=CC(=O)OC
+c1cnccc1-c2nc(C#N)c(nc2-c3ccco3)N
+c1cnccc1-c2nc(Oc3c(C)cccc3)c(cn2)C(O)=O
+c1cnccc1-c2nc3cnc(nc3o2)Cl
+c1cnccc1-c2nnc(N3CCOCC3c4cc(on4)-c5cccc(Cl)c5)n2C
+c1cnccc1-n2c(ccn2)-c3ccc(cc3)C#Cc4ccc5c(n4)cccc5
+c1cnccc1C#CC(c2ccc(cc2)N(C)C)=O
+c1cnccc1C(=NO)c2c(F)cc(F)cc2
+c1cnccc1C(=O)C=Cc2c3ccccc3[nH]c2C
+c1cnccc1C(C)(c2sc(-c3cnc(F)cc3)nc2)O
+c1cnccc1C2=CC(=O)N3C(=NC(C4CCN(CC4)C)CC3)N2
+c1cnccc1C=2N=C(N3CC(OCc4ccccc4)CC3)N(C(=O)C=2)C
+c1cnccc1C=Cc2cc(ccc2)Nc3cc(ccc3)S(=O)(=O)N
+c1cnccc1CN2CCCC2c3cc(O)ccc3
+c1cnccc1CN2CCN(CC2)c3c4c(ncc3Br)[nH]c(-c5ccc(cc5)OC)n4
+c1cnccc1CNCCn2nc(c(c2)NC(=O)c3c4n(cccn4)nc3)-c5cc(Cl)ccc5OC(F)F
+c1cnccc1CNc2nc(Cl)cc3c2C(N(C)C=N3)=O
+c1cnccc1NC(c2cc(Nc3cc(C(NCCCN4CCCCC4)=O)ccc3)ccc2)=O
+c1cnccc1Nc2nc(ncc2OC)-c3c(C)c(C4CC4)n[nH]3
+c1cnccc1OCCCCCCSc2[nH]c3c(cccc3)n2
+c1cnccc1OCCCNC(=O)c2cccs2
+c1cnccc1OCCSc2nc3nc(cc(n3n2)C)C
+c1cnccc1OCc2c(N3CCNCC3)cccc2
+c1cnccc1SCC(Nc2cccc(c2)-c3n4ncc(C(c5sccc5)=O)c4ncc3)=O
+c1cnccc1SCC2=Nc3cc(nn3C(=O)C2)-c4ccco4
+c1cnn(c1C(=O)c2cc(O)c(c(Cl)c2Cl)O)C
+c1cnn(n1)CCOCc2ccc(cc2)O
+c1csc(-c2nccn2Cc3ncc(nc3OC)OC)n1
+c1csc(c1Cl)C(NC(Cc2ccc(CCCc3ccc4c(n3)NCCC4)cn2)C(=O)O)=O
+c1n(c2c(CNCC2)n1)-c3ncccc3
+c1n(c2c(c(ncn2)N)n1)C3CC(C=C3)CO
+c1n(c2nc(ccc2n1)Br)-c3ccnc(Cl)c3
+c1n(ccn1)-c2nnc(OC3CN(CCC3)Cc4cc5c(OCO5)cc4)cc2
+c1n(nc(c1)N)CC(Nc2cccc(c2)F)=O
+c1n2C(c3c(N=c2ccc1-c4nnn[nH]4)sc(CC)c3)=O
+c1n2c(cc(CO)c1)ccn2
+c1nc(C(=O)O)c2n1-c3c(c(ccc3)CCN4CCN(c5c6c(cc(c5)F)nc(C)cc6)CC4C)OC2
+c1nc(C)nc2n(nc(c12)I)Cc3c(F)cccc3
+c1nc(NC2c3cc(-c4[nH]nnc4)ccc3N(C(C)C2)C(=O)C)ccc1C
+c1nc(Nc2ncc(cc2)Cl)ccc1C3OCCNC3
+c1nc(c2CCc3c(cc(c(OC)c3)[N+]([O-])=O)-n12)C(=O)OCC
+c1nc(c2CN(C)C(=S)c3cc(ccc3-n12)F)C(=O)OCC
+c1nc(ccc1)C(=O)c2ccc(c(N)c2)N
+c1nc(ccc1C)C#C
+c1nc(ncc1)-c2cccc(COc3c4c(oc(-c5cn6c(n5)sc(n6)OC)c4)cc(OC)c3)c2
+c1nc(ncc1)COc2cc3c(n(nc3C(C)=O)CC(OC)=O)cc2
+c1nc(ncc1)Cn2c(Br)cc(n2)NC(c3cnccc3)=O
+c1nc(ncc1)N(C)c2ccc(cc2)C=CCC(C(=O)O)NC(c3c(Cl)cccc3Cl)=O
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(C(N5CCC(OC)C5)=O)ccc4c(S(C)=O)c3
+c1nc(ncc1-c2cncc(CC(OC)=O)c2)N3CCC(CC3)Oc4c(C(CC)C)cccc4
+c1nc(ncc1-c2nc(COC3CCN(CC3)C(OC(C)C)=O)on2)Cl
+c1nc(ncc1C(NCc2cc3c(cc2)CCN(C4CCC4)CC3)=O)N5CC(C5)OC
+c1nc(ncc1C)C2(CC2)NC(c3ccc(C)c(c3)-c4cc5c(c(-c6ccc(cc6)F)oc5cc4)C(=O)NC)=O
+c1nc(ncc1C=2N(C)C(c3ccnc(OC)c3N=2)=O)OC4CCN(CC4)C5CCC5
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCNc4ccc(-n5ccnn5)cn4)C3
+c1nc(ncc1F)N2CCN3C(CCC(C3)Cn4ccc5c4ccc(F)c5)C2
+c1nc(ncc1O)NC
+c1nc(ncc1OCCC=CCCCC)-c2ccc(cc2)CCCCCOCCC
+c1nc(ncc1OCCSC)NC(=O)CCCCC
+c1nc2c(cc(c(C)c2)O)s1
+c1ncc(-c2cc(Cl)c(C3=Cc4c(N(C3=O)CC)nc(nc4)NCCCO)cc2)nc1C
+c1ncn(CC(CC=O)c2ccc(c(c2)Cl)Cl)c1
+c1ncn(c1)CCCCCCCN
+c1ncn(c1)Cc2cnc(cc2)-c3sc4c(cccc4)c3
+c1ncncc1-c2cc(OCc3cccc(N)n3)nc4CCCCc24
+c1ncncc1-c2cc(c(OCCC=C)c(c2)F)C=O
+c1ncncc1-c2ccnc(Nc3c(C)ccc(c3)N)n2
+c1ncncc1-c2onc(-c3cnncc3)n2
+c1ncncc1C2(c3c(c(ccc3)F)C(N)=N2)c4ccc(F)c(c4)-c5c(F)c(ccc5)OC
+c1ncncc1CC=2C(=O)NC(NC=2)=S
+c1ncncc1Cn2nc(c3cc(cnc23)F)-c4nc5c(nn4)C(C)(C)C(=O)N5
+c1ncncc1Oc2cc(NC(c3cccc(Cl)c3)=O)cc(c2)Cl
+c1ncncc1Oc2cc(nc(c2)C(=O)Nc3ccc(F)cn3)C
+c1nnnn1CCCC(=O)O
+n1(C(c2cc(c(N)c3OCOc23)Cl)=O)ccnc1
+n1(CCO)cnc2cccc(Br)c12
+n1(Cc2c(F)cccc2)c3c(nc1)cnc(n3)NC
+n1(Cc2c3c(cccc3)ccc2)c(C(=O)OCC)c(CNC(OC)=O)c4cc(F)ccc14
+n1(Cc2cccc(n2)COCCOCC)nnc3c(-c4oc(cc4)C)nc(N)nc13
+n1(c(C#N)nc2N(C(=O)N(CCCC)C(c12)=O)CCCC)CC=C
+n1(ccnc1)-c2cc([N+]([O-])=O)c(NC(C)=O)c(C)c2
+n1(cnc2c1ncnc2Cl)C3CC(CO)OC3
+n1(nc(c(-c2c(N)cccc2)c1C)C#N)C
+n1(ncc2c(O)c(cnc12)C(=O)O)CC
+n1(ncc2c1cncc2-c3cc(c(N)cc3)F)CCOC
+n12CCNC(c1c(c3c2c(cc(c3)F)-c4occc4)C)=O
+n12cc(C)nc1c(cc(C(=O)OC)c2)OCc3c(F)cccc3
+n12nnnc1c(N)c(NCCCO)c(c2C)C
+n1[nH]c2cnc3c(cc(OC)c(c3)OC)c2c1Br
+n1c(-c2cccc(C(OC)=O)n2)cccc1CN
+n1c(-c2cccnc2N)c[nH]n1
+n1c(-c2cnccc2)n(c3cc(c(Br)cc13)C#N)C
+n1c(-c2ncccc2)c(cc3ccsc13)C(C)Nc4c5[nH]cnc5ncn4
+n1c(Br)cc(C2(CF)COCC(=O)N2)cc1
+n1c(Br)ccc(c1)C2N(c3c(Cl)cccc3)N=C(C2)C(=O)Cl
+n1c(C(=O)OC)c(c(N)c(Cl)c1Cl)Br
+n1c(C)c(c(nc1Cl)C)Br
+n1c(C)cc(nc1NC(NS(=O)(=O)c2ccccc2[Se]C)=O)C
+n1c(C)cc(nc1SCc2c(c(SCCCSc3nn4c([N+](=O)[O-])cnc4cc3)ccn2)C)C
+n1c(C=Cc2cccnc2)cc(-c3cc4c(ncnc4[nH]3)O)cc1
+n1c(COC(CCCCC)=O)nc(Oc2cc3c(cc2)c(cs3)C(=O)OCC)cc1
+n1c(Cl)c(C#N)cnc1Nc2cccc(OC)c2
+n1c(Cl)c2N(C(C(=Cc2cn1)C(OCC)=O)=O)C
+n1c(N)c(c(nc1-n2nc(Sc3ccccc3F)c4c2cccc4)N)NC(C)=O
+n1c(N)nc2[nH]c3c(cccc3)c2c1Nc4cccc(c4)Br
+n1c(NC(C2=C(O)C=C(C)N(C2=O)C)=O)sc(C)c1
+n1c(NC(CC)C)cc(cc1-c2ccccc2F)C(=O)O
+n1c(NC2CC(C(CC)C2)c3nnc4cnc5[nH]ccc5n34)sc(c1)C#N
+n1c(NCCCOc2cc3c(cc2)n(cc3)C(C(OC)=O)C)c(cnc1Cl)F
+n1c(Nc2c(cccc2)OCCC)scc1C3=Cc4cccc(Cl)c4OC3=O
+n1c(OC)c2c(cc1OC)c(Br)ccc2
+n1c(SC)nc(c(N=O)c1N)O
+n1c(SC)nc2c(c(c(CC)n2Cc3cc(Cl)ccc3)C(=O)C(N)=O)c1OCC(=O)O
+n1c(SCC(=O)NCC2CN(CCO2)Cc3ccc(c(c3)Cl)Cl)scc1C=O
+n1c([nH]c2ncccc12)-c3cc(-c4cnn(C)c4)cnc3N
+n1c(c(N)ccc1F)C(=O)N
+n1c(c(ccc1)CO)-c2ccc(cc2F)F
+n1c(c(ccc1NCc2c(Cl)cccc2)Cc3c[nH]c4c3cccn4)F
+n1c(c(ccc1OC)N(C(=O)c2cccnc2NCC)C)Br
+n1c(c2c(cccc2)c(n1)O)Cc3cc(c(cc3)F)-c4cccc(c4)C(O)=O
+n1c(cc(COc2c(OC)cc3c(c2)ncnc3Nc4c(cc(Cl)cc4)F)cc1)Br
+n1c(cc(c(Nc2nc3c(Cl)ccc(C(=O)OC)c3n2CCCO)c1)C)OC
+n1c(ccc(C=CC(NCCCCc2ccc(C(NC)=O)c(NCC)n2)=O)c1)N
+n1c(ccc(CN2CCC(O)C2)c1)N
+n1c(ccc(c1)CCCC)N
+n1c(n(Cc2c(F)cccc2Cl)c3C(N(C(=O)N(c13)C)C)=O)N4CCCC(C(NCCO)=O)C4
+n1c(ncc(c1O)Cc2ccc(nc2)OC)NCCSCc3nc[nH]c3C
+n1c(nn(-c2cc(nc(SC)n2)C3C(c4nc5c(cccc5)n4C)C3)c1C)C
+n1c(oc(CCN)n1)C
+n1c(oc2ccc3c(c12)CCNCC3)C
+n1c(sc(-c2occc2)c1)Cc3c(Cl)ccc(C4OC(COC)C(C(O)C4O)O)c3
+n1c(sc(c1)C=2CSC3C(C(=O)N3C=2C(=O)O)NC(Cc4cccs4)=O)NC(C)=O
+n1c2c(c(O)nc1CCCC)cc(cc2)C(O)CC
+n1c2c(cc([N+]([O-])=O)c(O)c2)ccc1
+n1c2c(cc(c(F)c2)F)c(O)c3c(C)nn(-c4ncccc4)c13
+n1c2c(ccc(-n3cc(nn3)C(=O)OCC)c2)n(CC)c1Cn4ccnc4-c5cc(ccc5F)F
+n1c2c(ccc(Nc3cc(C=4CCN(C)CC=4)ncn3)c2)ccc1
+n1c2c(ccc1Cc3c4cc(C#N)ccn4c(c3C)CC(=O)O)cc(cc2)F
+n1c2c(cccc2)c(cc1-c3ccccc3O)NCCN
+n1c2c(nn1-c3c(O)ccc(c3)CN(CCO)CCO)cccc2
+n1c2c3ccccc3oc2c(nc1)O
+n1c2cc(cc(N)c2cn1C3CCCCO3)-c4c5cc[nH]c5ccc4
+n1c2cc3c(cc2oc1C)CCN(CC3)CCCl
+n1c2ccc(C)nc2c(Cl)cc1
+n1c2cccc(C(=O)N)c2[nH]c1-c3sc(C4N(C)CCC4)cc3
+n1c2ccccc2nn1-c3c(c(CN(CC)CC)cc(CCO)c3)O
+n1c2ccccc2nn1-c3cc(cc(c3O)Cc4c(OC)ccc(C(=O)c5ccccc5)c4O)C
+n1cc(-c2c(C)[nH]c(-c3ccc(OC)c(OC)c3)n2)ccc1
+n1cc(-c2c(cccc2)O)c[nH]1
+n1cc(-c2cc(NC(CC)=O)ccc2)nc3ccccc13
+n1cc(-c2cc3c[nH]nc3cc2)ccc1
+n1cc(C(=O)OCC)cn1-c2n(COCCOC)c3c(n2)c(c(Cl)c(Cl)c3)Cl
+n1cc(C=2C(N(C=CC=2)CCCCCl)=O)ccc1F
+n1cc(Cl)nc(NC(C)c2cc(ccc2)NC(c3cnc(C)cc3)=O)c1
+n1cc(I)c(c2c3ccccc3cc(OCCC)c12)O
+n1cc(N)cn1CCNc2ccc(cn2)F
+n1cc(c2cc(OC)c(cc2c1F)F)OC
+n1cc(ccc1F)-c2c(cnc(NC(NCC)=O)c2)Br
+n1cc(cnc1)-c2cc3c(C=C(C(OCC)=O)CC(=N3)N)cc2
+n1cc(cnc1)-c2nccc(Nc3c(ccc(N)c3)C)n2
+n1cc(cnc1)-n2ncc(C(O)=O)c2CC
+n1cc(cnc1)C(c2cc3cccnc3c(Cl)c2)O
+n1cc(cnc1-c2c(c(F)c(cc2)OCC(CCCCCCCC)F)F)-c3ccc(nc3)OCCCCCCCC
+n1cc(cnc1-c2cccc(CO)c2)OCCCN(C)C
+n1cc(cnc1-c2cccc(c2)CC3=NN(C=CC3=O)c4cn(C)nc4)OCC
+n1cc(cnc1-n2c3c(cc(cc3cc2)N)C4CC4)C
+n1cc(cnc1C(C)Nc2nc(c(Br)cn2)Nc3n[nH]c(C)c3)F
+n1cc(cnc1C(C)Nc2ncc3c(n2)n(-c4n[nH]c(c4)OC(C)C)cn3)F
+n1cc(cnc1C)C(NC(=O)c2cc(-c3ncc(C)cc3)cc(OC)c2)C
+n1cc(cnc1CCCCCCCC)-c2ccc(cc2)-c3cc4CC(Cc4cc3)CCCCCCCC
+n1cc(cnc1N2CCC(CC2)Oc3cc(ccc3Cl)Br)-c4nnn(CC(O)=O)n4
+n1cc(cnc1N2CCCC(Cn3nnc4ncc(nc34)-c5cn(C)nc5)C2)-c6ccn(CCOC7OCCCC7)n6
+n1cc(cnc1N2CCc3c4ccccc4[nH]c3C2c5ccc6c(OCO6)c5)-c7cccnc7
+n1cc(cnc1NCC2CCN(CC2)C(=O)OCc3ccccc3)-c4ccc(cc4)S(=O)(=O)C
+n1cc(cnc1NCCN2CCOCC2)C#Cc3cc(cnc3)N
+n1cc(cnc1OCCOc2ncnc(N)c2-c3ccc(cc3)C)Br
+n1cc(cnc1OCCOc2ncnc(NS(=O)(=O)NCCOC)c2Oc3cc(OC)ccc3Cl)Br
+n1cc(cnc1Oc2ccc(c3c2C4(CC4)CO3)C)N5C(C(NC5=O)CC)=O
+n1cc(cnc1Oc2cccc3OCCC(C)c23)N
+n1cc2cc(Sc3cccc(F)c3)ccc2c(n1)-c4c(cc(cc4)F)C
+n1ccc(NC(C)c2ncc(cc2)F)nc1Nc3cccnc3O
+n1ccc(Oc2cc3oc(C)c(C(NC)=O)c3cc2)nc1Nc4cccc(OC)c4
+n1ccc(c(OC)c1CO)OC
+n1ccc(nc1Nc2cccc(-c3csc(n3)C)c2)Cl
+n1cccc(Oc2c([N+]([O-])=O)cc(c(NC(C)=O)c2)F)c1OCC(OC)=O
+n1cccnc1-c2ccc(cc2)C#CC=O
+n1cccnc1-c2ccc(cc2)OCc3c(oc(C(=O)OC)c3)C
+n1cccnc1CN2CC(C2)n3c(-c4ccnc(n4)N)c(nc3)-c5ccc(cc5)F
+n1cccnc1N2C(NC(C(Nc3ccc(cc3)-c4noc(C)n4)c5cc(c(cc5)OCC)OC)=N2)=O
+n1cccnc1N2CCN(CC2)C3Cc4c(cccc4O)CC3
+n1cccnc1NCC2C(F)CN(C(=O)OCc3ccc(cc3)C)CC2
+n1cccnc1Oc2ccc(cc2)CNc3[nH]nc(c3C(=O)N)Nc4cccc(c4)Cl
+n1ccncc1Nc2nc(c(s2)-c3ccncn3)-c4cc(ccc4)C#N
+n1ccnn1-c2c(cccc2)C(=O)N3CC(c4oc(C(=O)OCC)c(C)n4)CCC3C
+n1ccnn1CCOc2cc3cc4ncc(c(Nc5c(cc(c(c5)OC)Cl)Cl)c4cc3cc2OC)C#N
+n1cnc(c2cc3OCOc3cc12)Nc4cc(C#C)ccc4
+n1n(CCCc2ncc(cc2C)Br)c3ncc(cc3n1)Cc4cnccc4
+n1n(c(nn1)-c2cc(cnc2N)C3=CCNCCC3)-c4cccc(c4F)F
+n1n(c2-c3c(CCc2c1C(N)=O)cnc(Nc4c(cccc4)C(C)=O)n3)C
+n1n2c(c(N)cc(C(=O)OC)c2)nc1-c3cccs3
+n1n2c(c(O)ccc2)nc1N
+n1n2cc(-c3cc(ccc3)C#N)nc2ccc1NC
+n1nc([nH]c1)-c2c(NC(CN3C(=O)C=Cc4ccc(C#N)cc34)=O)scc2Br
+n1nc(n(C)c1S(C)=O)-c2ccc3ccccc3c2
+n1ncc(-c2cc(c(cc2O)Cl)-c3ccccc3F)cc1
+n1nncn1-c2ccc3c(CCCC3C(=O)O)c2
+o1c(-c2cc(ccc2)C#N)cc(C3CCCCN3C(=S)NC)n1
+o1c(-c2csc(c2)Cl)cc(C3N(C(SC)=NC)C4CC4C3)n1
+o1c(c(c2c1ccc(Br)c2OC)C)CCl
+o1c(nc2cc(c(cc12)-c3cnc(cc3)NC(c4c(cccc4)Cl)=O)C)C
+o1c(ncc1CBr)C(OCC)=O
+o1c2c(c(c1CC)C)c(O)c(cc2)CC=C
+o1c2c(cc(cc2)-c3noc(-c4ccc(c(OCC)c4)OCC)n3)cc1C(O)=O
+o1c2c(cc(cc2)C(=O)OC)c(c1CCl)C
+o1c2c(ccnc2Br)nc1SC
+o1nc(cc1-c2cc(CCC(O)C)ccc2)C(=O)OC
+o1nc(cc1-c2cc(Cl)c(nc2)SC)CC
+o1nc(cc1C=2C3CC(CC=2)CN3)C
+s1c(-c2ncc(CBr)cc2)nc3ccccc13
+s1c(NC(C)=O)nc2c(OCCCCCNC(NCCCCC)=O)cccc12
+s1c(nc2-c3c(ccc(N)c3)CCc12)Cc4nc[nH]c4
+s1c2c(cccc2)c(NC(C)=O)c1C(O)=O
+s1c2c(cccc2cc1-c3nc(ncc3F)NCCN4CCNC4=O)-c5c(CN)cnc(F)c5
+s1c2c(nc1C=CC=Cc3ccc(nc3)NC(=O)C)cc(c(OC)c2)OC
+s1c2c(nccc2Oc3ccc(N)cc3F)cc1-c4cc(ccc4)OCCCCl
+s1c2cc(ccc2cc1CCl)Oc3sc4c(nccc4)n3
+s1cnc(c1-c2c(c(Cl)ccc2)Cl)-c3cc(cnc3N)-c4cnccc4
diff --git a/releases/n1-n5-composites-inchi-v1/payload/stock/n5.smi b/releases/n1-n5-composites-inchi-v1/payload/stock/n5.smi
new file mode 100644
index 0000000000000000000000000000000000000000..77133883fabf1adec7cd4da0bdf96b4b343c0be1
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/stock/n5.smi
@@ -0,0 +1,13195 @@
+B1(c2ccc(cc2CO1)O)O
+Br
+BrB(Br)Br
+BrBr
+BrC(Br)(Br)Br
+BrC(Br)Br
+BrC(Br)C
+BrC(Br)c1c(Cl)cc(c(-c2c(c(n(C)n2)OC(F)F)Cl)c1)Cl
+BrC(Br)c1ccc(cc1F)C(=O)O
+BrC(c1cc(F)ncc1)C(c2cccc(C)c2)=O
+BrCC#CC
+BrCC(=O)Br
+BrCC(=O)Cl
+BrCC(=O)N
+BrCC(=O)O
+BrCC(=O)OC
+BrCC(C)=C
+BrCC(CCBr)O
+BrCC(CCCC)CC
+BrCC(c1c(C)nccc1)=O
+BrCC(c1cccnc1)=O
+BrCC(c1ccnc(Br)c1)=O
+BrCCBr
+BrCCC(C(=O)OC)Br
+BrCCCBr
+BrCCCCBr
+BrCCCCCCBr
+BrCCCF
+BrCCF
+BrCCOCCBr
+BrCc1c(Br)cccn1
+BrCc1c([N+]([O-])=O)cccc1
+BrCc1c(cc(cc1)C(=O)OC)CBr
+BrCc1cccnc1
+BrO
+BrP(Br)(Br)=O
+BrP(Br)Br
+BrS(Br)=O
+Br[Cu]Br
+Br[Mg]c1c(C)cc(cc1)F
+Br[Mg]c1cccc(C)c1
+Br[Mg]c1cccc(OC)c1
+Brc1[nH]c(C)nc1
+Brc1[nH]ccn1
+Brc1[nH]cnc1
+Brc1[nH]cnc1C(=O)OC
+Brc1c(Br)cc(cc1)C
+Brc1c(C)nccc1
+Brc1c(F)cc(C)cn1
+Brc1c(F)ccc(O)c1
+Brc1c(F)cccn1
+Brc1c(N(C)N)nc(SC)nc1
+Brc1c(O)cccn1
+Brc1c(O)ncc(C)c1
+Brc1c(cc([N+]([O-])=O)c(n1)N)Br
+Brc1c(ccc2ccccc12)C
+Brc1c(cccc1)CCO
+Brc1c2c(cccc2)ccc1
+Brc1cc(C)c(cc1C)N
+Brc1cc(c(C=O)s1)Br
+Brc1cc(cc(Br)c1)Cl
+Brc1cc(cc(Br)n1)C
+Brc1cc2c([nH]cc2[N+](=O)[O-])nc1
+Brc1cc2cc[nH]c2nc1
+Brc1ccc(C(=O)N)s1
+Brc1ccc(C(=O)O)s1
+Brc1ccc(Cl)s1
+Brc1cccc(Br)c1
+Brc1cccc(Br)c1C=O
+Brc1cccc(Br)n1
+Brc1ccccc1CC(O)=O
+Brc1ccccc1I
+Brc1cccn2c1nc(C)c2
+Brc1cccnc1
+Brc1cccnc1F
+Brc1cccnc1O
+Brc1cccs1
+Brc1ccnc(C(=O)O)c1
+Brc1ccnc(C)c1
+Brc1ccnc(C=CC(=O)O)c1
+Brc1ccnc(F)c1
+Brc1ccnc(O)c1
+Brc1ccnc(c1)C(=O)OC
+Brc1ccsc1C(=O)O
+Brc1ccsc1C(=O)OC
+Brc1cncc(Br)c1
+Brc1cncs1
+Brc1nc(c(n1CCCC)Cl)Cl
+Brc1nc(cs1)Br
+Brc1nc(cs1)C(=O)OC
+Brc1ncc(C)[nH]1
+Brc1ncc(c(C(=O)O)c1)F
+Brc1nccc(C)c1
+Brc1nccc(CN)c1
+Brc1nccc(CO)c1
+Brc1nccc(O)c1
+Brc1nccs1
+Brc1oc(cc1)C(=O)O
+Brc1oc(cc1)C(=O)OC
+Brc1sc(-c2nc(SC)ncc2)cc1
+Brc1sc(C)cc1
+Brc1sc(C=O)cc1
+Brc1sc(CN)cc1
+Brc1sc(c(C)n1)C(=O)O
+Brc1sc2CNCCc2n1
+C#CC
+C#CC(=O)N
+C#CC(=O)O
+C#CC(=O)OC
+C#CC(N)(CC)C
+C#CC(N)CC(OCC)=O
+C#CC(NC(=O)C)C
+C#CC(OCC)=O
+C#CC1(CCN(C1=O)C)O
+C#CC1C(CO)C1
+C#CCBr
+C#CCC1(N)CCN(C1=O)C
+C#CCCC=O
+C#CCCCCl
+C#CCCCN
+C#CCCCO
+C#CCCO
+C#CCCl
+C#CCN
+C#CCNC(=O)CN
+C#CCO
+C#CCOC
+C#C[Mg]Br
+C#Cc1ccccn1
+C#Cc1cccnc1
+C(#C)c1cc(ccc1Cl)Nc2c3cc(ncc3ncn2)F
+C(#C)c1ccc(OC)cc1C
+C(#CC(O)=O)C(C)(CCOC)N
+C(#N)C(C#N)=C(OCC)C
+C(#N)CC#N
+C(#N)c1c(-c2ccc(CBr)cc2C)cccc1
+C(#N)c1c2c(c(cc1)N)cccc2
+C(#N)c1c2ccccc2c(cc1)C
+C(#N)c1nnc(Br)s1
+C(=C)C(C(=O)O)C
+C(=C)CC(C(=O)O)C
+C(=C)CC(C(=O)OC)N
+C(=C)CC(C)NC
+C(=C)CC(N)C(=O)O
+C(=C)CC1=CC(CC1=O)O
+C(=C)CCBr
+C(=C)CCCBr
+C(=C)CCCC(C(OC)=O)C(C)=O
+C(=C)CC[Mg]Br
+C(=C)CI
+C(=C)CN
+C(=C)CNC
+C(=C)CO
+C(=C)CON
+C(=C)C[Mg]Br
+C(=C)Cc1cnc2c(cc[nH]2)c1Cl
+C(=CC(=O)O)C
+C(=CC(=O)OC)c1ccc(OC)cc1OC
+C(=COC)C1CCCOC1
+C(=NCCCCCCCC)=O
+C(=O)(C(C)=C)Cl
+C(=O)(C(CCBr)Br)Cl
+C(=O)(C(Cl)C)Cl
+C(=O)(C(N)=S)C
+C(=O)(C)N1c2ccc(OC(C)=O)cc2CCCC1
+C(=O)(C)c1ccc(N)cn1
+C(=O)(C)c1sc(cc1)Cl
+C(=O)(C)n1ncc2cc(I)c(C)cc12
+C(=O)(C1COCC(C1)O)O
+C(=O)(C=C)Cl
+C(=O)(C=CC)Cl
+C(=O)(CBr)C
+C(=O)(CBr)CCCCC
+C(=O)(CC1c2ccccc2C(=O)N1)O
+C(=O)(CCCCBr)C
+C(=O)(COC)C
+C(=O)(COC)Cl
+C(=O)(Cl)CCCCCCCCC
+C(=O)(N(OC)C)C
+C(=O)(O)C1CCCC1N
+C(=O)(O)C=Cc1cc(ccc1)O
+C(=O)(O)C=Cc1cc2CCC(=O)Nc2nc1
+C(=O)(O)CC(=O)O
+C(=O)(O)CCC1CCc2ccccc12
+C(=O)(O)Cn1nccc1
+C(=O)(OC)C#CC
+C(=O)(OC)CCCCCCCCCBr
+C(=O)(OC)Cl
+C(=O)(OC)c1ccc(C#N)cc1C
+C(=O)(OCC)C(C(=O)OCC)CCC=C
+C(=O)(OCC)C(C(=O)OCC)c1cccc(n1)OC
+C(=O)(c1c2CCCc2c(C(O)C)s1)OC
+C(=O)(c1c2ccc(OC)cc2[nH]n1)O
+C(=O)(c1c2n(c(Br)n1)cccc2)O
+C(=O)(c1cc(Nc2nc(nc3c2occ3)Cl)n[nH]1)OC
+C(=O)(c1cc(cc(C(=O)OC)n1)Br)OC
+C(=O)(c1cc(cc2c1n[nH]c2)-c3cccnc3Cl)OC
+C(=O)(c1ccc(c2n[nH]cc12)F)OC
+C(=O)(c1ccc2nccn2c1)O
+C(=O)(c1cccc(CC(OC)=O)c1)OC
+C(=O)(c1cccc2ccc(O)cc12)OC
+C(=O)(c1ccccc1Nc2c(Cl)c(C)ccc2Cl)O
+C(=O)(c1ccccc1Nc2cccc(C)c2C)O
+C(=O)(c1cnc(C)cc1)O
+C(=O)(c1cnc(cc1)-c2cnco2)O
+C(=O)(c1cnc(cc1)Br)O
+C(=O)(c1cnc(cc1)C#CC)O
+C(=O)(c1cnc(cc1)Cl)O
+C(=O)(c1cnc(cc1)N)O
+C(=O)(c1n(nc(C)c1)C)Cl
+C(=O)(c1n[nH]c2ccc(OC)cc12)O
+C(=O)=NC
+C(=O)=NCC
+C(=O)=NCCBr
+C(=O)=NCCC
+C(=O)=NCCCC
+C(=O)=NCCCCl
+C(=O)=NCCCl
+C(=O)C
+C(=O)C(Cl)COC
+C(=O)c1c(-c2cc(C)sc2)cccc1
+C(=S)=NC(C)c1cc(ccc1)O
+C(=S)=Nc1c(Cl)cccc1
+C(Br)C(=O)c1nc2c(cccc2)n1C
+C(Br)C(C(=O)N)Br
+C(Br)C(C(O)=O)=O
+C(Br)C=CC
+C(Br)C=CC(=O)Cl
+C(Br)C=CC(=O)O
+C(Br)CCCCBr
+C(Br)CCCCCCC
+C(Br)CCCCCCC(=O)O
+C(Br)CCCCCCC(OC)=O
+C(Br)CCCCCCCCCCCCC
+C(Br)CCCCCCCCCCCO
+C(Br)CCCCCCCCCCCc1cccc2c1C(NC2=O)=O
+C(Br)CCCCCCl
+C(Br)c1c(Cl)cccc1
+C(Br)c1cc(ccc1F)F
+C(Br)c1cc2nonc2cc1
+C(Br)c1cccc(Cl)c1Cl
+C(Br)c1cccc(F)c1F
+C(Br)c1ncccc1
+C(C#C)CC(Cl)=O
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+C(C#C)CCCC
+C(C#C)CCCCO
+C(C#C)CCCO
+C(C#C)N1CC(CC1=O)O
+C(C#N)CCBr
+C(C#N)CCCl
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+C(C#N)c1ccc([N+]([O-])=O)c(F)c1C
+C(C#N)c1cccc(C(=O)OC)c1Cl
+C(C(=O)Br)(C)Br
+C(C(=O)C)(C)Br
+C(C(=O)C)CCCl
+C(C(=O)C)Cl
+C(C(=O)CC(OC)=O)Cl
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+C(C(=O)Cl)CBr
+C(C(=O)Cl)CC=C
+C(C(=O)Cl)CCBr
+C(C(=O)Cl)CCCl
+C(C(=O)Cl)Cl
+C(C(=O)Cl)c1ccco1
+C(C(=O)N(OC)C)CCCC
+C(C(=O)NCCCCCCC)Br
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+C(C(=O)O)CCBr
+C(C(=O)O)CCN
+C(C(=O)O)CS
+C(C(=O)O)Cl
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+C(C(=O)O)c1n[nH]c2c1cccn2
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+C(C(=O)OC)CCBr
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+C(C(OC(C)=O)C)CCCCl
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+C(C)(=C)C=O
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+C(C)(=O)c1c(cccc1)[N+]([O-])=O
+C(C)=[N+]=CC
+C(C)C(CC)(C)O
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+C(C)C(CC)(c1ccc(cc1)F)O
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+C(C)C(CC)(c1sc2ccc(OC)cc2c1)c3ccc(c(C)c3)O
+C(C)C(CC)=O
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+C(C)C(CC)CN
+C(C)C(CC)Oc1c(nc(cc1)I)Cl
+C(C)C(CC)[Zn+]
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+C(C)C(CCCC)COc1cc([N+](=O)[O-])c(OCC(CC)CCCC)cc1C=O
+C(C)CC(=O)CC(OC)=O
+C(C)CC(=O)Cc1ccc(cc1[N+]([O-])=O)C(=O)OC
+C(C)CC(CC(=O)C)=O
+C(C)CC1CCC(CCC)N1Cc2ccccc2
+C(C)CCCBr
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+C(C)CC[Sn](CCCC)(CCCC)C=C
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+C(C)CC[Sn](CCCC)(CCCC)c1ccco1
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+C(C)CC[Sn](CCCC)(CCCC)c1sc2C(NC(=O)OC(C)(C)C)CCCc2c1
+C(C)N(CC)C(=O)CCl
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+C(C)N(CC)CC
+C(C)N(CC)CC#CCCCO
+C(C)N(CC)CCCN
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+C(C)N(CC)CCCl
+C(C)N(CC)CCN
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+C(C)N(CC)c1c(C)cc(cc1)Br
+C(C)N(CC)c1cc(C)cc(C(CO)O)n1
+C(C)NCC
+C(C)NCCC
+C(C)NCCCC
+C(C)OC(=O)C(C(=O)OCC)Br
+C(C)OC(=O)CC(=O)OCC
+C(C)OC(=O)N1C=Cc2cc(O)c(cc2C1Cc3cc(ccc3)OC)OC
+C(C)OC(=O)N1CCCC(CC1)=O
+C(C)OC(=O)c1c(C)ccc(OC)c1
+C(C)OC(=O)c1c(c(ccc1Cl)CN)F
+C(C)OC(=O)c1c(c(sc1N)C)C
+C(C)OC(=O)c1c2CCCC(c2sc1)=O
+C(C)OC(=O)c1cc(CCCC)n[nH]1
+C(C)OC(=O)c1cc(OCOC)c(C)cc1
+C(C)OC(=O)c1cc(c(N)cc1)F
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+C(C)OC(=O)c1cccc(S)c1
+C(C)OC(=O)c1cccc(c1)I
+C(C)OC(=O)c1cccc(c1)NC(OCC=C)=O
+C(C)OC(=O)c1cccc(c1)Nc2ncnc3c2[nH]cc3
+C(C)OC(=O)c1cccc(c1)O
+C(C)OC(=O)c1cnc(cc1)Cl
+C(C)OC(=O)c1n(C)nc(CC)c1
+C(C)OC(=O)c1ncc2ncc(Br)n2c1
+C(C)OC(=O)c1sc(c(c1Br)C#N)Br
+C(C)OC(=O)c1sc(nc1C(=O)O)Cl
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+C(C)OC(C(Br)CCCCCCCCCCCC)=O
+C(C)OC(C1=C(N=C(c2sccn2)NC1c3ccc(cc3Cl)F)CBr)=O
+C(C)OC(C=1C(O)=C(C(=O)N(C=1C)C)C)=O
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+C(C)OC(N1CCc2c(c([N+]([O-])=O)ccc2CC1)Cl)=O
+C(C)OC(OCC)C(N)=N
+C(C)OC(OCC)C(N)C
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+C(C)OC(OCC)c1ccc(Br)nc1
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+C(C)OC(c1c(Cl)cccc1OC)=O
+C(C)OC(c1c(Cl)nc(Cl)nc1)=O
+C(C)OC(c1c(O)c(-c2cccs2)nnc1O)=O
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+C(C)OC(c1c(c2cccc(Br)c2[nH]1)CCCO)=O
+C(C)OC(c1c(cc(Cl)nc1Cl)C)=O
+C(C)OC(c1c(cccc1C)O)=O
+C(C)OC(c1c2c(sc1N)ccc(Cl)n2)=O
+C(C)OC(c1c2ccc(cc2oc1)F)=O
+C(C)OC(c1cc(cc2c1[nH]cc2C3CCCSC3)Br)=O
+C(C)OC(c1cc(cc2cc[nH]c12)Br)=O
+C(C)OC(c1cc(sc1N)CC)=O
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+C(C)OC(c1cc2c(cccc2O)[nH]1)=O
+C(C)OC(c1cc2cc(cc(Br)c2[nH]1)F)=O
+C(C)OC(c1cc2cccc([N+]([O-])=O)c2[nH]1)=O
+C(C)OC(c1ccc(c(C)c1F)F)=O
+C(C)OC(c1ccc(nn1)N)=O
+C(C)OC(c1cnc2c(CC(=O)CC2)c1O)=O
+C(C)OC(c1cnc2c(c1)ccnc2)=O
+C(C)OC(c1cnn(C)c1C(=O)O)=O
+C(C)OC(c1n(cc(C)c1)CC)=O
+C(C)OC(c1nc2n(nc(cc2)Cl)c1)=O
+C(C)OC(c1ncc(C)c([N+]([O-])=O)c1C)=O
+C(C)OC(c1ncc(CC)[nH]1)=O
+C(C)OC(c1nn2cccc(c2c1)C(=O)O)=O
+C(C)OC(c1nnc(cc1Cl)Cl)=O
+C(C)OC(c1sc(c2C(CCCc12)=O)SC)=O
+C(C)OC(c1sc(cc1)C(C)O)=O
+C(C)OCC(=O)OCC
+C(C)OP(OCC)(C(C(OCC)=O)C)=O
+C(C)OP(OCC)(CC(OCC)=O)=O
+C(C)OP(OCC)(Cc1c(Cl)cnc2c1c(F)c(OC)cc2)=O
+C(C)Oc1cc(cc(OCC)c1-n2cccc2)C(=O)OCC
+C(C)Sc1ccccc1C(=O)O
+C(C)Sc1ccccc1C(OC)=O
+C(C)[Si](CC)(CC)OS(=O)(=O)C(F)(F)F
+C(C)[Zn]CC
+C(C)c1c(C)c(Cl)nnc1Cl
+C(C)c1ccc(nc1)C(CBr)O
+C(C)c1ccc2cc[nH]c2c1
+C(C)c1cccc(N=C=O)c1
+C(C1C(CC)CC(C1)O)O
+C(C1CC(O)C(CC1)N)(OC)=O
+C(C1CCCNC1)C(=O)OC
+C(C1CNC(C)CC1)(=O)O
+C(C1CNC(C)CC1)(OC)=O
+C(C1Oc2c3ccc(O)nc3c(C)cc2C1)CO
+C(C=C)Br
+C(C=C)N(CC=C)S(=O)(=O)c1c(N)ccnc1
+C(C=CC=CCBr)(OC)=O
+C(C=CCc1ccc(F)c(Br)c1)(OC)=O
+C(C=Cc1ccc(cc1C)CO)(OC)=O
+C(C=Cc1ccc2cc[nH]c2c1)(OC)=O
+C(C=O)(CCOCC)Br
+C(C=O)=O
+C(CBr)(=O)c1ccccc1OC
+C(CBr)(CCBr)F
+C(CBr)(c1sc(Br)cc1)=O
+C(CBr)=Cc1ccccc1C
+C(CBr)C#N
+C(CBr)C(=O)OC
+C(CBr)CCCl
+C(CBr)Cl
+C(CBr)N
+C(CBr)O
+C(CC#N)O
+C(CC(=C)Br)O
+C(CC(=O)C)(COC)=O
+C(CC(=O)C)O
+C(CC(=O)O)C#C
+C(CC(=O)O)CCCCCCCCCCCCCO
+C(CC(=O)O)O
+C(CC(=O)O)c1cccc(F)c1
+C(CC(=O)O)c1cccc([N+]([O-])=O)c1
+C(CC(C#N)O)#N
+C(CC(C(=O)OC)N)SC
+C(CC(CCC)(O)C#C)C
+C(CC(Cl)=O)c1ccccc1Cl
+C(CC)CCCCCCCO
+C(CC)C[Sn](CCCC)(CCCC)c1ccccc1
+C(CC)N(CCC)CCCC#N
+C(CC)N1C(=CC(=O)NC1=O)C
+C(CC)n1ncc(c1)Br
+C(CC1NCCCC1)CO
+C(CC=C)C(CCC=C)O
+C(CC=CCC=CCCCC(O)=O)=CCC=CCCCCC
+C(CCBr)CCC
+C(CCBr)CCC(Cl)=O
+C(CCBr)CCCCBr
+C(CCBr)CCCl
+C(CCC#C)(OC)=O
+C(CCC#N)(OC)=O
+C(CCC(=O)CBr)(OC)=O
+C(CCC(=O)O)(OC)=O
+C(CCC(=O)O)CC(=O)O
+C(CCC(=O)O)CCCCN
+C(CCC(Cl)=O)(OC)=O
+C(CCC)C(CC)C=O
+C(CCC)C(CCCC)(CO)CO
+C(CCC)C1(CCCC)C(=O)C(=C(SC)SC)C(=O)c2c1ccc(F)c2
+C(CCC)C1(CCCC)CN(c2c(cc(OC)cc2)S(=O)(=O)C1)c3ccc(cc3)N
+C(CCC)CCCCC(=N)NO
+C(CCC)CCCCN
+C(CCC)CCCN
+C(CCC)NCCCC
+C(CCC)[Sn](CCCC)(CCCC)C#C[Si](C)(C)C
+C(CCC)[Sn](CCCC)(CCCC)C(=C)OCC
+C(CCC)[Sn](CCCC)(CCCC)C=CCN(CC)CC
+C(CCC)[Sn](CCCC)(CCCC)N=[N+]=[N-]
+C(CCC)[Sn](CCCC)(CCCC)c1c(F)cncc1F
+C(CCC)[Sn](CCCC)(CCCC)c1ccc(cc1)CC(NC(OC(C)(C)C)=O)C(=O)OC
+C(CCC1CC1C(=O)O)CCCCC
+C(CCC1CO1)CCCCC
+C(CCC=C)CCCBr
+C(CCC=O)CCC
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+C(CCCC(=O)O)C(=O)C
+C(CCCC(C(O)=O)S)CCCCC
+C(CCCC(CCCCCC)=O)CC
+C(CCCC(Cl)=O)CCC
+C(CCCC)I
+C(CCCC)N
+C(CCCC=C)C(C(=O)OC)O
+C(CCCC=C)C(CO)OC
+C(CCCCBr)CCCBr
+C(CCCCBr)CCCCCCO
+C(CCCCC)NCCCCCC
+C(CCCCCBr)(OC)=O
+C(CCCCCC(=O)O)CCCCBr
+C(CCCCCC(OC)=O)CCCCCCCCCCCCCCC(=O)Cl
+C(CCCCCC)(C)N
+C(CCCCCC)Cc1ccc2-c3c(cc(C(O)=O)cc3)Cc2c1
+C(CCCCCC)NC(N(c1cc(ccc1)Br)CC)=O
+C(CCCCCCCBr)CCBr
+C(CCCCCCCBr)CCCCBr
+C(CCCCCCCBr)CCCCCCCCCC
+C(CCCCCCCC(=O)Cl)CCCCC
+C(CCCCCCCC)CBr
+C(CCCCCCCCBr)C=C
+C(CCCCCCCCBr)CCCCCCCC(O)=O
+C(CCCCCCCCCC(=O)Cl)CCCCC
+C(CCCCCCCCCCBr)CCCCC
+C(CCCCCCCCCCCCCCC)CCCCBr
+C(CCCCCCCCCCCCCCCC(=O)O)C(=O)O
+C(CCCCCCCCCCCCCCCC)CN
+C(CCCCCCCCCCCO)(=O)O
+C(CCCCCCCCCO)#C
+C(CCCCCCCCl)O
+C(CCCCCCCO)CBr
+C(CCCCCCO)CBr
+C(CCCCCN)(OC)=O
+C(CCCCCN)N
+C(CCCCCO)CCCCC#C
+C(CCCCCO)CCCCO
+C(CCCCI)CCl
+C(CCCCO)CCCCCC=C
+C(CCCCO)O
+C(CCCCO)Oc1cc[n+]([O-])c(c1C)C
+C(CCCCl)I
+C(CCCNC(C)=O)(OC)=O
+C(CCCO)Oc1cccc(Cl)n1
+C(CCI)CCC
+C(CCN)CCO
+C(CCN1C(=O)C(O)(c2c(cc3c(OCO3)c2)O)c4c1cccc4Br)CC
+C(CCNCC)SCCC
+C(CCO)(N)CCC
+C(CCO)CCC
+C(CCO)CO
+C(CCS)CS
+C(CC[Sn](CCCC)(CCCC)C=CCO)C
+C(CC[Sn](CCCC)(CCCC)CC=C)C
+C(CC[Sn](CCCC)(CCCC)c1ccnnc1)C
+C(CCc1ccc(s1)C(=O)O)CCCCC
+C(CCc1cccnc1)C(SCC(=O)OCC)CCCCOC2OCCCC2
+C(CCc1cccnc1)CCCCCO
+C(CCl)C#N
+C(CCl)C(=O)Cl
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+C(CCl)N
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+C(CCl)NCCCl
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+C(CCl)OC
+C(CF)Cl
+C(CF)N
+C(CN)C#N
+C(CN)C(=O)O
+C(CN)C(=O)OC
+C(CN)CCCCCCC
+C(CN)CCCCCCCC
+C(CN)Cc1cccc2OCCc12
+C(CN)Cc1cccc2ccc(OC)cc12
+C(CN)NCCN
+C(CN)O
+C(CN)OCCN
+C(CN)c1cc2c(OCO2)cc1
+C(CN)c1ccccc1Br
+C(CN1C(Nc2ccccc12)=O)OCC
+C(CN1CCCC1=O)N
+C(CN1CCNC1=O)N
+C(CNC(=O)C)N
+C(CNC)C#N
+C(CNC)N
+C(CNC)NC
+C(CNCCBr)Br
+C(CNCCC)C
+C(CNCCC)C=O
+C(CNCCCO)Cn1c2c3c(cccc3)nc(N)c2nc1CCCC
+C(CNCCO)O
+C(CNCCO)OC
+C(CO)(C(=O)O)Oc1ccc(F)c(c1F)C(=O)N
+C(CO)(C)NC
+C(CO)C(CCO)(C)C
+C(CO)C1(CCO)CCCCC1
+C(CO)CCCCCCCCCCCCCCCC
+C(CO)c1ccc(CC(O)=O)s1
+C(COC(=O)CCS)(CCCC)CC
+C(COC)(=O)CC(OC)=O
+C(COC)C(=O)Cl
+C(COC)N
+C(COC)O
+C(COCC)O
+C(COCCCl)Cl
+C(COCCOCCO)OCCOCCOCCO
+C(COCCn1cccc1C=O)OCC
+C(CON)N
+C(CON)O
+C(CON=C(c1csc(N)n1)C(=O)OCC)OCC
+C(CO[N+](=O)[O-])N
+C(CS)C(=O)OC
+C(CSC)N
+C(CSC)O
+C(CSCc1ccnc(N)c1)O
+C(CSCc1nc[nH]c1C)N
+C(CSCc1nccs1)N
+C(C[SnH](CCCC)CCCC)CC
+C(C[Sn](CCCC)(CCCC)C#CC)CC
+C(C[Sn](CCCC)(CCCC)Cl)CC
+C(Cc1c(cc(C#N)cc1)OC)(OCC)=O
+C(Cc1c(n2nccc2nc1Cl)Cl)=C
+C(Cc1c2ccc(cc2[nH]c1C)F)(OCC)=O
+C(Cc1cc(Cl)c(OC)cc1C)(OCC)=O
+C(Cc1cccc(CCO)c1)O
+C(Cc1cccc(n1)N)(OCC)=O
+C(Cc1ccccc1Cl)NCCCSCCO
+C(Cc1cccnc1)C(=O)OC
+C(Cc1nc(ccc1)Br)CN
+C(Cl)(=O)CCCCC
+C(Cl)(=O)CCCCCl
+C(Cl)(=O)c1cc([N+]([O-])=O)ccc1Cl
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+C(N)CCBr
+C(N)CCCl
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+C(N)CCNC
+C(N)CCSC
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+C(N1CCc2c(cc(cc2)C(=O)OC)CC1)CC
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+C(NCCN)(Nc1cc(c(cc1)O)F)=O
+C(Nc1c(ccc(C)n1)[N+]([O-])=O)C(OC)=O
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+C(O)C(CO)O
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+C(O)C(N)(C(=O)O)C
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+C(O)CC
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+C(O)CCBr
+C(O)CCC
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+C(O)CCCC(=O)NCCCCCCC
+C(O)CCCCCBr
+C(O)CCCCCC
+C(O)CCCCCCC1C(C#N)CCC1=O
+C(O)CCCCCCCCCCCCCCC
+C(O)CCCCCCCO
+C(O)CCCCCCl
+C(O)CCCCCc1ccccn1
+C(O)CCCl
+C(O)CCF
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+C(O)CCN
+C(O)CCN=[N+]=[N-]
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+C(O)CCOC
+C(O)CCS
+C(O)CCc1[nH]cnc1
+C(O)CF
+C(O)CI
+C(O)CN1CCCC1=O
+C(O)CN=[N+]=[N-]
+C(O)CNC
+C(O)CNC(=O)CC
+C(O)CNCC
+C(O)CNN
+C(O)CNc1c(I)cc(Cl)nc1
+C(O)CS
+C(O)Cc1ccncc1[N+](=O)[O-]
+C(O)Cc1ccsc1
+C(O)c1[nH]c(nc1)-c2cnccc2
+C(O)c1c(Cl)cc(OC)c(c1)Br
+C(O)c1c(F)cccc1Cl
+C(O)c1c(c(ncc1Cl)N)Cl
+C(O)c1c2ccccc2ncc1
+C(O)c1cc(c(OC)cc1F)Br
+C(O)c1ccc(cc1C)F
+C(O)c1ccc(cc1C)O
+C(OB(OCC)OCC)C
+C(OC(=O)C(C(OCC)=O)=COCC)C
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+C(OC(=O)C1C(=O)Nc2c(ccc(N)c2)C1)C
+C(OC(=O)CC(Cl)=O)C
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+C(OC(C1CC1C#N)=O)C
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+C(OC(C1NCCNC1)=O)C
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+C(OC(CC(=O)CCC)=O)C
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+C(OC(Nc1c2ccc(cc2sc1C(=O)OC)OC)=O)C
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+C(OC(OCC)c1ccc(cc1)C2Nc3c(c(ccc3)C(=O)OCC)C(=O)C2c4ccc(cc4)F)C
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+C(OC)(CCc1cnc(cn1)N)=O
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+C(OC)CBr
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+C(OC)CCCCl
+C(OC)CCCN
+C(OC)CCCO
+C(OC)CCC[Mg]Cl
+C(OC)CCCl
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+C(OC)CN1CCNCC1=O
+C(OC)CNC
+C(OC)Cl
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+C(OCC)(=O)C(=COCC)C#N
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+C(OCC)(=O)N
+C(OCC)(=O)N(C)CCO
+C(OCC)(=O)N=C=S
+C(OCC)(C#CC(OCC)=O)=O
+C(OCC)(C(C#N)=CNc1ccc(OC)c(c1)OC)=O
+C(OCC)(CC1=CC(Oc2cc(ccc12)O)=O)=O
+C(OCC)(Cc1cc(C)ccc1)=O
+C(OCC)(Cc1cc(c(cc1)O)OC)=O
+C(OCC)(N(c1c(C(=O)OC)ccc([N+]([O-])=O)c1)CCCCCl)=O
+C(OCC)(N(c1cc(Cl)nc(Cl)c1[N+]([O-])=O)Cc2ccc(C)nc2)=O
+C(OCC)Cl
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+C(OCCBr)COC
+C(OCCCl)CO
+C(OCCN)CO
+C(OCCOCCI)COC
+C(OCCOCCO)COC
+C(OCCl)COC
+C(OCCn1c2c(c(Cl)nc(n2)Cl)nc1)C
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+C(ON)COC=C
+C(OP(OCC)(=O)C(C(=O)OCC)CCCC1OCCO1)C
+C(OP(OCC)(C1C(=O)N2C(CCCC2CC1)c3ccc(cc3)C(=O)OC)=O)C
+C(OP(OCC)(OCC)=O)C
+C(Oc1c(OC)cc2c(nccc2O)c1)CCCl
+C(Oc1c(OC)cc2c(ncnc2c1)Cl)CCCl
+C(Oc1c(cc(N)c(C(=O)OC)c1)OC)CCCl
+C(Oc1cc(cc(OCC)c1Cl)C=O)C
+C(Oc1ccc(O)c(C(=O)N)c1)C(=O)C
+C(Oc1cccc(C(=O)O)c1)CCF
+C(Oc1nc(c2c(nc(OC)[nH]2)n1)N)(CCC)C
+C(Oc1nc(c2c(nc(OC)[nH]2)n1)N)CCC
+C(S)CCS
+C(SCC)(=O)Cl
+C(SCl)(=O)Cl
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+C(c1[nH]c(c(Cl)c1Cl)C(=O)OC)#N
+C(c1[nH]c2c(cccc2)c1C)=O
+C(c1c(C(=O)OC)cc(C#N)cc1)Br
+C(c1c(C)c(Cl)c(nc1Cl)Cl)#N
+C(c1c(C)ncc(Cl)c1)(=O)Cl
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+C(c1c(Cl)ncc(Br)c1)(=O)Cl
+C(c1c(Cl)nccc1)(=O)Cl
+C(c1c(O)c(ccc1O)C(=O)C)CC
+C(c1c(O)c(ccc1S)C(=O)C)CC
+C(c1c(OC)nc(C)cc1)n2c3cccc([N+]([O-])=O)c3c(CC)n2
+C(c1c(c(C(=O)OC)ccc1O)O)C=C
+C(c1c(cc(cc1)C(=O)OC)OC)Br
+C(c1c(cc(cc1)F)C(=O)OCC)Br
+C(c1c(ccc([N+]([O-])=O)c1)Br)(=O)OC
+C(c1c(ccc([N+]([O-])=O)c1)O)(=O)OC
+C(c1c(ccc(c1)C(=O)C)O)(=O)OC
+C(c1c(ccc2c1OC(C(OC)=O)CC2)OCCCI)CC
+C(c1c(cccc1)Cl)#C
+C(c1c(cccc1)Cl)(C(OC)=O)Br
+C(c1c(cccc1)OC)C(O)=O
+C(c1c(cccc1O)C(=O)OCC)C=C
+C(c1c(nc(OC)cn1)OC)=O
+C(c1c2c(n[nH]1)CCCC2)(=O)O
+C(c1c2ccccc2nc(C)c1)Cl
+C(c1c2cccnc2[nH]c1)C(=O)O
+C(c1c2n(nc1)ccc(Cl)n2)(=O)Cl
+C(c1c2ncccn2nc1)(Cl)=O
+C(c1c[nH]c2c1ccc(O)c2)CC
+C(c1cc(Br)c(F)cc1)=C2c3cccc([N+]([O-])=O)c3C(O2)=O
+C(c1cc(Br)cc2CCCCOc12)(=O)OC
+C(c1cc(C)c(cc1)Br)(=O)O
+C(c1cc(C)c(cc1)O)(=O)O
+C(c1cc(C)c(cc1)OC)C(=O)O
+C(c1cc(C)ccc1)C(=O)O
+C(c1cc(C)ccc1C)C(Cl)=O
+C(c1cc(Cl)ccc1)C(=O)O
+C(c1cc(I)ccc1)Br
+C(c1cc(I)ccc1)C#N
+C(c1cc(N)ccc1)(=O)c2cc3NC(Cc3cc2)=O
+C(c1cc(N2C(=O)C=CC=C2)ccc1[N+]([O-])=O)(=O)OC
+C(c1cc(OC)c(C)cc1)C(=O)O
+C(c1cc(OC)c(cc1F)OCc2ccc(nc2)OC)Nc3ccc(I)cc3[N+]([O-])=O
+C(c1cc(OC)ccc1C(=O)O)C#N
+C(c1cc(S)ccc1)C(=O)O
+C(c1cc(c(C)cc1)N2C(c3cc(ccc3C=C2)O)=O)(=O)O
+C(c1cc(c(cc1)-c2cnco2)F)(=O)O
+C(c1cc(c(cc1)Cc2c3c(ccc(C#N)c3)ccc2)OC)(=O)OC
+C(c1cc(c(cc1)Cl)Cl)C2c3cc(ccc3CCC2N)OC
+C(c1cc(c(cc1)O)F)(=O)O
+C(c1cc(c(cc1)O)OC)C(=O)O
+C(c1cc(c(cc1)OC)O)C(=O)O
+C(c1cc(cc(C)c1)C(=O)OC)N
+C(c1cc(cc(CO)c1)I)O
+C(c1cc(cc(c1O)Br)Br)Br
+C(c1cc(ccc1)Br)C(=O)O
+C(c1cc(ccc1)C#N)OCCBr
+C(c1cc(ccc1)O)C(=O)O
+C(c1cc(ccc1)OC)C(=O)O
+C(c1cc(ccc1)OC)N
+C(c1cc(ccc1O)O)(=O)OC
+C(c1cc(ncn1)N)=C
+C(c1cc2c(c(cc(C)c2)[N+]([O-])=O)[nH]1)(=O)OC
+C(c1cc2c(cc1)ccc(C#N)c2)Br
+C(c1cc2ccccc2cc1)(=O)Nc3ccc(C)cn3
+C(c1cc2nc(C)sc2cc1)(=O)O
+C(c1ccc(Br)c(Cl)c1)(=O)O
+C(c1ccc(C(=O)OC)c([N+]([O-])=O)c1)(=O)O
+C(c1ccc(C(C)OCOC)cn1)CO
+C(c1ccc(C)c(I)c1)(=O)O
+C(c1ccc(C)c(c1)F)N
+C(c1ccc(C)c(c1C)[N+]([O-])=O)(=O)OC
+C(c1ccc(C)cc1Cl)(Cl)=O
+C(c1ccc(C)cc1N)CC
+C(c1ccc(Cl)c(N2C(=O)NN=N2)c1Cl)(=O)OC
+C(c1ccc(Cl)c([N+]([O-])=O)c1)(=O)O
+C(c1ccc(Cl)c(c1)C(=O)O)N
+C(c1ccc(Cl)nc1NN)(=O)OC
+C(c1ccc(F)c(Br)c1)C(=O)O
+C(c1ccc(F)c(Br)c1)N
+C(c1ccc(F)c(Cl)c1)(=O)O
+C(c1ccc(F)c(F)c1)Br
+C(c1ccc(N2C=CNC2=S)c3ccccc13)#N
+C(c1ccc(NC(C)=O)cc1O)(=O)OC
+C(c1ccc(O)c(c1)F)C(=O)O
+C(c1ccc(OC)c(Br)c1)C(=O)O
+C(c1ccc([N+]([O-])=O)cc1Br)(=O)OC
+C(c1ccc([N+]([O-])=O)cc1Cl)(=O)OC
+C(c1ccc(c(Cl)c1)Cl)Br
+C(c1ccc(c(Cl)c1)O)C(=O)O
+C(c1ccc(c(OC)c1C(=O)OC)Br)Br
+C(c1ccc(c(c1)O)C)(=O)O
+C(c1ccc(c(c1)O)F)(=O)O
+C(c1ccc(cc1Cl)F)(Cl)=O
+C(c1ccc(cc1O)O)(=O)OC
+C(c1ccc(nc1)Cl)C(=O)O
+C(c1ccc(nc1)Cl)N
+C(c1ccc2OCOc2c1)Br
+C(c1ccc2c(c1)sc(C(=O)OCC)c2)C(=O)O
+C(c1ccc2c(ccc(n2)C)c1)(=O)O
+C(c1ccc2c(ccnc2N)c1)N
+C(c1ccc2ncccc2c1)N
+C(c1ccc2ncccc2c1)n3nnc4c3nc(C(=O)C)cn4
+C(c1ccc[nH]1)(=O)Cl
+C(c1cccc(-c2occc2)c1)(=O)O
+C(c1cccc(C#N)c1)(=O)OC
+C(c1cccc(C)c1C)Br
+C(c1cccc(CC(OC)=O)c1)Br
+C(c1cccc(Cl)c1C)Br
+C(c1cccc(Cl)c1O)(=O)OC
+C(c1cccc(F)c1)Br
+C(c1cccc(F)c1)C(CO)N2Cc3c(ccc(Br)c3)C2=O
+C(c1cccc(F)c1)N
+C(c1cccc(N)c1)C(=O)O
+C(c1cccc(S)c1)(=O)O
+C(c1cccc([N+]([O-])=O)c1)N
+C(c1cccc([N+]([O-])=O)c1O)(=O)OC
+C(c1cccc(c1)C(=O)O)(=O)OC
+C(c1cccc(c1)F)(=O)O
+C(c1cccc(c1)I)(=O)O
+C(c1cccc(c1C(=O)OCC)[N+]([O-])=O)Br
+C(c1cccc(c1[N+]([O-])=O)O)(=O)OC
+C(c1cccc2c1n(cc2)C)C#N
+C(c1ccccc1Br)CC(=O)O
+C(c1ccccc1CN=[N+]=[N-])C(=O)O
+C(c1ccccc1Cl)CBr
+C(c1ccccc1F)C(OC)=O
+C(c1ccccn1)(Cl)=O
+C(c1cccnc1)(=O)Cl
+C(c1cccnc1NC(CC(=O)C)=O)(=O)OC
+C(c1cccnc1NC(c2sc(cc2)Cl)=O)(=O)OC
+C(c1ccco1)(=O)Cl
+C(c1cccs1)(=O)Cl
+C(c1ccnc(Cl)c1)(=O)Cl
+C(c1cnc(C)cn1)N
+C(c1cncc(c1)Br)C(=O)O
+C(c1cnccc1)NC(NCCC#C)=O
+C(c1n(ccn1)CC)(CN)=O
+C(c1nc2cnc3cccnc3c2n1CCCC=O)CC
+C(c1ncccc1)C(OC)=O
+C(c1ncccc1)CC
+C(c1ncccc1)CO
+C(c1ncccc1)N
+C(c1sc(-c2nc(SC)ncc2)cc1)(=O)O
+C(c1sc(cc1)Cl)(=O)O
+C(c1sc(cc1)Cl)C(=O)O
+C(n1c2c(ccc(C)n2)c(n1)C(=N)N)c3cccc(F)c3F
+C(n1c2c3c(cccc3)nc(N)c2nc1CCOC)CCCN
+C(n1c2ccc(C=O)cc2c3ccccc13)C
+C(n1ccnc1)CO
+C(n1ncc(c1)C(=O)OCC)CCl
+C1(=C(C(C1=O)=O)OC)OC
+C1(=CNC(=S)NC1=O)Cn2c3c(cc2)cccc3
+C1(=O)CC(C)(C)CC(=O)C1
+C1(=O)CC2C(CCc3c2cccc3OC)N1
+C1(=O)COc2c(N1)nc(cc2)C=O
+C1(=O)N2C(=C(CSc3n(C)nnn3)CSC2C1N)C(=O)O
+C1(=O)N2C(C(=O)O)=C(C(Sc3nnn[nH]3)CC(=O)O)CSC2C1N
+C1(=O)N2C(C1N)SCC(=C2C(=O)OC)COC(C)=O
+C1(=O)NC(=O)C=C(Cl)N1
+C1(=O)NC(C(=O)N1)CC(=O)O
+C1(=O)NC(C=C(C)N1)=O
+C1(=O)Nc2ccccc2OC1
+C1(=O)OC(c2c1ccc(Br)c2)=O
+C1(=O)c2c(C(=O)N1CC(Cc3cccc(c3)F)N)cccc2
+C1(=O)c2c(cccc2OC1)O
+C1(=O)c2cccc(F)c2NC1=O
+C1(=O)c2ccccc2C(=O)N1CCBr
+C1(=O)c2ccccc2C(=O)N1Cc3c(CCCC)noc3C
+C1(=O)c2ccccc2C(=O)N1OCCO
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+C1(C)(CC)NC(C(C)C(=O)C1)(C)CC
+C1(C)CCCC(C)N1
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+C12(CCNC1)c3ccnc(F)c3C(O2)=O
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+C1C(CCN1C)NC
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+C1C(CO)CNC1
+C1C(CO)CNCC1
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+C1C(CO)NCC1
+C1C(CO)OCCC1
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+C1C(N)CNCC1
+C1C(N)COCC1
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+C1C(O)CCC1CI
+C1C(O)CNC1
+C1C(O)CNCC1
+C1C(OC)OC(C1C=O)OC
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+C1C2(CO)CC2C(N1Cc3ccc(cc3OC)OC)=O
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+C1C2C(CC1)O2
+C1C2C(CN1)C2
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+C1C2C(Cc3cccc(OC)c13)OCC(=O)N2
+C1C2C3CCc4cc(O)ccc4C3CCC2(C(=O)C1)C
+C1C2CC1(C2)N
+C1C2CC1NC2
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+C1C2CC3(CC(CC1C3)C2=O)O
+C1C2CC3CC(CC1C3)C2=O
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+C1C2CC3CC1(CC(C2)C3)CO
+C1C2CC3CC1(CC(C2)C3)N=[N+]=[N-]
+C1C2CC3CC1(CC(C2)C3)O
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+C1C2CC3CC1CC(C2)(C3)C(=O)C
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+C1C2CC3CC1CC(C2)(C3)c4ccc(cc4)C(O)=O
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+C1C2CCC(CC1n3ncc(c3)I)N2C
+C1C2CCC(CN1c3nc(Cl)nc4c3c[nH]n4)O2
+C1C2CCCC(CC1=O)N2
+C1C2CN(CC(CN1)C2)C(=O)NCC
+C1C2CNCC2CC1
+C1C2CNCC2CN1Cc3ccccc3
+C1C2c3ccccc3C(CN1)C2
+C1C=C(C(=O)O)N2C(C(C2S1)N)=O
+C1C=C(c2ccc(N)cc2F)CCS1
+C1CC(=O)C=C1OCC
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+C1CC(C(=O)O)NCC1
+C1CC(C(OCC)=O)Cc2sc3c(c12)c(ncn3)Cl
+C1CC(CCC1(C)C)c2sc3nc(nc(O)c3c2)C
+C1CC(CCC1(F)F)CC(OCC)=O
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+C1CC(CCC1(O)CCN2CCC(O)C(C2)C)N
+C1CC(CCC1)(C(=O)NC2CCNCC2O)NC(=O)c3oc4ccccc4c3
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+C1CC(CCC1)C(C(O)=O)N
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+C1CC(CCC1)C(NCCc2csc3ccc(I)cc23)=O
+C1CC(CCC1)C2(CN(C(=O)CC2)C)[N+]([O-])=O
+C1CC(CCC1)C2CCNCC2
+C1CC(CCC1)C=2Nc3c(S(=O)(=O)N=2)cccc3
+C1CC(CCC1)C=C(C(OC)=O)I
+C1CC(CCC1)C=O
+C1CC(CCC1)CBr
+C1CC(CCC1)CC#C
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+C1CC(CCC1)CCCC(=O)c2cc(c(Cl)cc2OC)OC
+C1CC(CCC1)CCCC(c2cc(c(C)cc2OC)OC)=O
+C1CC(CCC1)CCCCCCCCCCCCOC2CCCCO2
+C1CC(CCC1)CCCO
+C1CC(CCC1)CN=C=O
+C1CC(CCC1)CNC(C)=C(C=CC(=O)OC)C(=O)OC
+C1CC(CCC1)CNC(NCC2CCCCC2)=O
+C1CC(CCC1)C[Mg]Br
+C1CC(CCC1)Cn2c(cc(C(OCC)=O)c2C)-c3ccc(-c4n(ncc4)C(C)C)c(C(=O)C)c3
+C1CC(CCC1)N(S(=O)(=O)CCN)C
+C1CC(CCC1)N(c2cc(C(=O)OC)nc(n2)Cl)CC3CC3
+C1CC(CCC1)N2CC(F)(F)C(Nc3c2nc(nc3)Cl)=O
+C1CC(CCC1)N=C=O
+C1CC(CCC1)NCC(OC)OC
+C1CC(CCC1)NN
+C1CC(CCC1)OC(Cl)=O
+C1CC(CCC1)OCCO
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+C1CC(CCC1)c2cc(C=O)c(O)cc2
+C1CC(CCC1)c2cc(CCC)c(O)cc2
+C1CC(CCC1)c2ccc(c(c2)OC)CC(O)=O
+C1CC(CCC1)c2ccc(cc2)C(=O)CCC(=O)OCC
+C1CC(CCC12Cc3ccc(cc3C2=O)OCCCF)=O
+C1CC(CCC12OCCO2)(C)CO
+C1CC(CCC12OCCO2)(c3nccs3)C#N
+C1CC(CCC12OCCO2)CC(OCC)=O
+C1CC(CCC1=O)(c2cc(ccc2F)F)C#N
+C1CC(CCC1=O)(c2ccc(cc2)Br)C(OC)=O
+C1CC(CCC1=O)(c2cnc(cc2)F)O
+C1CC(CCC1=O)C(OCC)=O
+C1CC(CCC1=O)C=CCCC
+C1CC(CCC1=O)N(C)C
+C1CC(CCC1=O)n2nncc2
+C1CC(CCC1C(=O)C)C(=O)OCCCC
+C1CC(CCC1C(=O)Cl)C=C(Br)Br
+C1CC(CCC1C(=O)Cl)CCC
+C1CC(CCC1C(=O)N(OC)C)CN2Cc3c(C2=O)c(c(cc3)O)F
+C1CC(CCC1C(=O)NC(C)C)N
+C1CC(CCC1C(=O)O)CN
+C1CC(CCC1C(=O)O)CO
+C1CC(CCC1C(=O)OCC)N
+C1CC(CCC1C(=O)OCC)O
+C1CC(CCC1C(Cl)=O)C
+C1CC(CCC1C(O)=O)=O
+C1CC(CCC1C(O)=O)O
+C1CC(CCC1C(O)=O)OCCO
+C1CC(CCC1C(OC(C)C)=O)c2ccc(cc2)[N+]([O-])=O
+C1CC(CCC1C(OC)=O)N
+C1CC(CCC1C(OCC)=O)CNC(C)=O
+C1CC(CCC1C(c2ccccc2F)=O)C(=O)OC
+C1CC(CCC1C)C(N(c2cc(sc2C(=O)OC)I)C3CCC(CC3)=O)=O
+C1CC(CCC1C)Cn2c(nc3c2c(nc(Cl)c3)-c4cc(cnc4F)Cl)N5CCOC6CCCC56
+C1CC(CCC1C2CCC(CC2)=O)C=O
+C1CC(CCC1C=O)=O
+C1CC(CCC1C=O)c2cccc(c2F)F
+C1CC(CCC1C=O)c2ccccc2
+C1CC(CCC1CC(=O)OC)c2ccc(cc2)NC(OCc3ccccc3)=O
+C1CC(CCC1CC(=O)OCC)N
+C1CC(CCC1CCC)O
+C1CC(CCC1CCCCC)C(=O)O
+C1CC(CCC1CCCCCBr)CNC
+C1CC(CCC1CCN)CO
+C1CC(CCC1CN)C(=O)OC
+C1CC(CCC1CN)Nc2nc3-c4c(cccc4)OCCc3s2
+C1CC(CCC1CN2CC(CC2)F)Nc3c4nc(ccc4ncc3C(=O)C)Cl
+C1CC(CCC1CNC)C(=O)O
+C1CC(CCC1CNC)CO
+C1CC(CCC1CNCc2ccccc2)CO
+C1CC(CCC1CO)COC=C
+C1CC(CCC1CO)OC2OCCCC2
+C1CC(CCC1COCC(F)F)=O
+C1CC(CCC1Cn2c3c(nc2)nc(Cl)nc3NC(C4CCC4)C)C
+C1CC(CCC1Cn2c3c(nc2)nc(Cl)nc3NC(C4CCC4)C)C(=O)OC
+C1CC(CCC1N(c2c(C)c(C(=O)O)cc(Cl)c2)CC)N(C)C
+C1CC(CCC1N(c2cc(Cl)cc(c2C)C(=O)OC)CC)NC
+C1CC(CCC1N)=Cc2cc([N+]([O-])=O)ccc2
+C1CC(CCC1N)C
+C1CC(CCC1N)CC2CCC(CC2)N
+C1CC(CCC1N)CO
+C1CC(CCC1N)N
+C1CC(CCC1N)N(C)C
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+C1CC(CCO1)(c2ncccc2)O
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+C1CC(CCO1)O
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+C1CC(CCS1)N2c3cnc(Cl)nc3N4CCOCC4C2=O
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+C1CC(CC[Se]1)=O
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+C1CC(F)(F)CCN1
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+C1CC(NC1O)=O
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+C1CC1(CCOC)N
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+C1CC1(O)CCOC2OCCCC2
+C1CC1(Sc2cc(c(F)cc2Cl)N)C(O)=O
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+C1CC1(c2ccc3c(OCO3)c2)C(O)=O
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+C1CC1(c2cnccc2)C(=O)O
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+C1CC12C(Nc3c2ccnc3)=O
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+C1CC12CCNCC2
+C1CC12CCOc3cccc(OCOC)c23
+C1CC1Br
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+C1CC1C(=O)C2CCc3nc(NC(C)=O)sc3C2=O
+C1CC1C(=O)CC(OC)=O
+C1CC1C(=O)Cl
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+C1CC1C(=O)N2CCC(CC2)(O)CN3C=Nc4c(C3=O)cnn4-c5ccc(cc5)Br
+C1CC1C(=O)Nc2cn3cc(Oc4ccc(cc4)N)ccc3n2
+C1CC1C(=O)c2cnc3ccc(Br)cc3c2O
+C1CC1C(C)(c2c(cccc2)O)O
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+C1CC1C(N)=NO
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+C1CC1C(NCc2ccc(Cl)c(NN)c2)=O
+C1CC1C(NN)=O
+C1CC1C(O)=O
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+C1CC1C(OC)=O
+C1CC1C(c2cc(c(F)cc2)OC)CC(=O)OC
+C1CC1C(c2ncnc(Cl)c2)CC(=O)OCC
+C1CC1C2(C#N)C(=O)N(c3ccnc(n3)Cl)CC2
+C1CC1C2(C(N(c3cc(ncc3)Br)CC2)=O)C#N
+C1CC1C2(NC(=O)OC2)c3cc(ccc3F)Br
+C1CC1C=2Nc3ccccc3C4=NN(c5ccc(cc5)C(=O)O)C(C=24)=O
+C1CC1C=CC#N
+C1CC1C=O
+C1CC1CBr
+C1CC1CC(=O)Cl
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+C1CC1CC(C)(C#N)N
+C1CC1CCBr
+C1CC1CCCN
+C1CC1CCN
+C1CC1CCO
+C1CC1CCOc2nc3c(c(n2)N)nc(OC)[nH]3
+C1CC1CCl
+C1CC1CI
+C1CC1CN
+C1CC1CN2C(=C(c3cc(Br)ccc3C2=O)O)C(OCC)=O
+C1CC1CN2C(N(C)C(C=C2NN)=O)=O
+C1CC1CN2CCC34C5(C2Cc6ccc(c(c36)OC4C(=O)CC5)O)O
+C1CC1CNC(N)=S
+C1CC1CNCCC
+C1CC1CNS(=O)(=O)N
+C1CC1CO
+C1CC1CONC(c2c(Nc3c(C)cc(Br)cc3)c(c4c(n(cn4)CCCC=C)c2)F)=O
+C1CC1COc2c(Br)ccc(C(=O)O)n2
+C1CC1COc2c(Cl)nc(C(=O)O)cc2
+C1CC1COc2c(OC)ccc(-c3cccc4c3CCC4=O)c2OCOC
+C1CC1COc2cc(c(Br)cc2)OC
+C1CC1COc2ccc3c(c2)oc(C4CCC(CC4)OCC(C)=O)c3
+C1CC1Cn2c(Cc3ccc(cn3)O)nc4c2ccc(C#N)c4
+C1CC1Cn2c3c(cccn3)cc2C=O
+C1CC1N
+C1CC1N(Cc2cccc(c2Cl)Cl)C(=O)CC(CO)NC(OCc3ccccc3)=O
+C1CC1N2C(=O)C=3C(=CC(N(C)C=3N(C2=O)c4cccc([N+](=O)[O-])c4)=O)O
+C1CC1N2C(Nc3ccccc3C2=O)=O
+C1CC1N2C=C(C(=O)O)C(=O)c3cc(c(cc23)Cl)F
+C1CC1N2C=C(C(=O)O)C(=O)c3cc(c(cc23)F)F
+C1CC1N2C=C(C(c3cc(F)c(c(OC)c23)N4CCNC(C4)C)=O)C(O)=O
+C1CC1N2C=C(C(c3cc(c(c(c23)F)F)F)=O)C(OCC)=O
+C1CC1N2CCNCC2
+C1CC1N2c3c(c(F)c(F)cc3C(=O)N(N)C2=O)C
+C1CC1N=C=S
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+C1CC1NC(=O)c2cc(-n3c(c(C(=O)c4cc(O)ccc4)cn3)N)c(cc2)C
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+C1CC1NC(=O)c2n[nH]c3CCNCc23
+C1CC1NC(=O)c2nnn(-c3ccc(cc3)C(=O)NCC)c2CCCO
+C1CC1NC(C2CC2)=O
+C1CC1NC(CS)=O
+C1CC1NC(c2ccc(C)c(N)c2)=O
+C1CC1Nc2c3c(nc(Cl)n2)cco3
+C1CC1Nc2nc(c(c(-c3cccc(c3)[N+]([O-])=O)n2)C#N)O
+C1CC1Nc2nnc(cc2)C#C
+C1CC1Oc2cc(ccc2OC(F)F)Br
+C1CC1S
+C1CC1S(=O)(=O)Cl
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+C1CC1S(=O)(=O)c2ccc(cc2)C(C(=O)O)CC3CCOCC3
+C1CC1S(O)=O
+C1CC1[Mg]Br
+C1CC1c2[nH]cnc2
+C1CC1c2[nH]ncc2
+C1CC1c2c(COc3c(C)cc(-c4c(c(C(=O)OCC)n(C)n4)C)cc3)c(N5C(=O)N(N=N5)C)ccc2
+C1CC1c2c(Cl)nccc2
+C1CC1c2c(F)c(c(cc2)C=O)OC
+C1CC1c2c(N3C(=O)NCC3)cncc2
+C1CC1c2c([N+](=O)[O-])cc3nn(-c4ccc(cc4)Br)c(C(O)=O)c3c2
+C1CC1c2c(cc(nc2)Br)OCC3CC3
+C1CC1c2c3c(n(-c4ccc(cc4Cl)C(=O)O)n2)-c5sc(NC(C)=O)nc5CC3
+C1CC1c2cc(C(OC)=O)c(N)s2
+C1CC1c2cc(Cl)ncc2
+C1CC1c2cc(F)c3C(=O)NCCOc3c2
+C1CC1c2cc(N)[nH]n2
+C1CC1c2cc(c([N+](=O)[O-])cc2)F
+C1CC1c2cc(c(cc2OCC3CCNCC3)F)C(=O)O
+C1CC1c2cc(cc([N+]([O-])=O)c2OCCC)Br
+C1CC1c2cccc(N)n2
+C1CC1c2n(c3c(ccc(c3)Br)n2)C
+C1CC1c2nc(-c3cc(Cl)cc(N)c3F)c(o2)-c4ccnc(SC)n4
+C1CC1c2nc(-c3cc(ncc3Br)NC(NCC)=O)sc2
+C1CC1c2nc(C(=O)O)c(Cl)c(O)n2
+C1CC1c2nc(C=O)ccc2
+C1CC1c2nc3scc(-c4ccccc4OC)c3c(n2)Cl
+C1CC1c2ncc(O)cc2Cl
+C1CC1c2nsc(-c3c4CCCCc4sc3N)n2
+C1CC1c2sc(N)nn2
+C1CC1n2c(N)ccn2
+C1CC1n2c3c(c(cc(C(=O)OCC)c3)OC(C)=O)cc2
+C1CC1n2nc3c(cc(cc3)Br)c2C
+C1CC2(CCC(CC2)O)CCC1
+C1CC2(CCC1(CC2)C(=O)O)C
+C1CC2(CCC1(CC2)C(O)=O)C(OCC)=O
+C1CC2(CCC1(CC2)C(O)=O)CCCCC
+C1CC2(CCC1(CC2)C(O)=O)O
+C1CC2(CCC1(CC2)CCC(O)=O)C(=O)OC
+C1CC2(CCC1(CC2)N)O
+C1CC2(CCC1(O)c3cncs3)OCCO2
+C1CC2(CCC13C(=O)N(CC3)CCCC)OCCO2
+C1CC2(CCC1O)OC(c3cn4ncnc4cc3)=C(C2=O)c5cc(ccc5)C
+C1CC2(CCC=C1)CCC(=COC)C2
+C1CC2(CCN1)CC(C(OC)=O)NCC2
+C1CC2(CCN1)CN(Cc3ccccc3)CC(O2)c4ccc(cc4)C
+C1CC2(CCN1)CN(Cc3ccccc3)CC(O2)c4ccc(cc4)Cl
+C1CC2(CCN1)COC2
+C1CC2(CCN1)CSc3ccccc23
+C1CC2(CCN1)NC(NC2=O)=O
+C1CC2(CCN1)OCC(=O)N(C3CC3)C2
+C1CC2(CCN1C(CC(OC)=O)c3ccc(cc3)Br)OCC(=O)N(C4CC4)C2
+C1CC2(CCN1C(c3c(F)cc(Br)cc3)C(OC)=O)CN(C4CC4)C(=O)CO2
+C1CC2(CCN1CC3Cc4c(cccc4)NC3=O)CCc5c2cccc5
+C1CC2CC1C(C#N)(N)CC2
+C1CC2CCC(=O)N2CC1c3ncc4c(Cl)nccn34
+C1CC2CCC1CNC2
+C1CC2CCN1CC2Oc3ccc(Cl)nn3
+C1CC2COCC1N2
+C1CC2N(c3c(cc(cn3)C(=O)OC)NC2=O)CC1
+C1CCC(C(=O)O)CC1N
+C1CCC(C(C)C1)N
+C1CCC(C(C1)O)N
+C1CCC(C)CC1N
+C1CCC(C1)(C#N)c2c(c(C)cs2)Cl
+C1CCC(C1)(C=O)c2c(ccc(C(OC)=O)c2)-c3c(F)cnc(OC)c3
+C1CCC(C1)(N(C)C)C(N)c2ccccc2
+C1CCC(C1)(N)C(=O)N
+C1CCC(C1)(c2ccc(cc2)N)C(OC)=O
+C1CCC(C1)=O
+C1CCC(C1)Br
+C1CCC(C1)C(OCC)=O
+C1CCC(C1)C2C(=O)c3c(cc(c(Cl)c3Cl)OC)CC2
+C1CCC(C1)C2N(c3nc(c(cc3)C#N)C)N=C(C2)Cl
+C1CCC(C1)C=O
+C1CCC(C1)CC(=O)Cl
+C1CCC(C1)CC(=O)O
+C1CCC(C1)CC(C(OC)=O)c2cc(Br)c(S(=O)(=O)C)cc2
+C1CCC(C1)CCC(Nc2c(Cl)ccc3c2ccc(n3)Cl)=O
+C1CCC(C1)CO
+C1CCC(C1)N2C(=O)C(=C(C)c3c2nc(nc3)S(=O)C)Br
+C1CCC(C1)N2N(C(C)=CC2=O)C
+C1CCC(C1)NC
+C1CCC(C1)NC(N)=N
+C1CCC(C1)NN
+C1CCC(C1)Nc2nc(ncc2C=O)SC
+C1CCC(C1)O
+C1CCC(C1)Oc2c(cccc2OC)C=Cc3nc4c(n3-c5ccc(C(OCC)=O)nn5)cccc4
+C1CCC(C1)S
+C1CCC(C1)S(=O)(=O)N
+C1CCC(C1)c2[nH]nc(C(=O)N)c2N
+C1CCC(C1)c2c(c(ccc2)CC=C)O
+C1CCC(C1)c2c(ccc(c2)Cl)O
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+C1CNCCC12CN(CC2)C(=O)OCc3ccccc3
+C1CNCCC12CN(CCO2)C(c3csc(C(C)C)n3)=O
+C1CNCCC12CNC(NC(c3nc(Cl)c(nc3N)N)=O)=N2
+C1CNCCC12OC(Nc3ncccc23)=O
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+C1CNCCC12Oc3ccc(cc3C(=O)C2)-c4cc(cnc4)C(=O)O
+C1CNCCC12c3c(Br)cccc3C(=CC(=O)OCC)C2
+C1CNCCC12c3c(CCC2)cccc3
+C1CNCCC1=Cc2cccc(c2)Br
+C1CNCCC1C#N
+C1CNCCC1C(=O)c2cc(Cl)ccc2Cl
+C1CNCCC1C(=O)c2sc(cc2)Cl
+C1CNCCC1C(N)=O
+C1CNCCC1C(OCC)=O
+C1CNCCC1C2Oc3c(cccc3C2)F
+C1CNCCC1CC(OCC)=O
+C1CNCCC1CCC(=O)O
+C1CNCCC1CN
+C1CNCCC1CO
+C1CNCCC1COC
+C1CNCCC1Cc2cc3c(cc2)OCC(=O)N3
+C1CNCCC1Cc2n(c3ncccc3n2)CCOCC
+C1CNCCC1N2C(Nc3ncccc23)=O
+C1CNCCC1N2CCN(CC2)C
+C1CNCCC1Nc2ncc(cc2)C
+C1CNCCC1O
+C1CNCCC1OCCC
+C1CNCCC1Oc2ccc(cc2)C3CCN(CC3)C(OCc4ccccc4)=O
+C1CNCCC1Oc2ccc(cc2)Cl
+C1CNCCC1Oc2ccc(cc2)OC
+C1CNCCC1c2[nH]c(-c3nc(C)ccc3)nn2
+C1CNCCC1c2c3cccnc3[nH]n2
+C1CNCCC1c2ccccc2
+C1CNCCC1c2nc(C(C)C)on2
+C1CNCCC1c2nc(cs2)C(N(C3CCCc4ccccc34)C)=O
+C1CNCCC1c2nc3n(C(NC(c4ccc(cc4Cl)Cl)=C3)=O)n2
+C1CNCCC1c2nccnc2-c3ccc(c(F)c3)C(NC)=O
+C1CNCCC1c2noc3c2ccc(F)c3
+C1CNCCC1c2onc(n2)Cc3ccccc3
+C1CNCCCN1
+C1CNCCCN1C(=O)C
+C1CNCCN1
+C1CNCCN1C(=O)OCc2ccccc2
+C1CNCCN1C(C)=O
+C1CNCCN1C(NC)=O
+C1CNCCN1C2CCC2
+C1CNCCN1CC
+C1CNCCN1CC(OCC)=O
+C1CNCCN1CC2CC2
+C1CNCCN1CCCO
+C1CNCCN1CCc2ccc(cc2)Cl
+C1CNCCN1CCc2ccc(cc2)[N+]([O-])=O
+C1CNCCN1Cc2cc3c(OCO3)cc2
+C1CNCCN1Cc2n(CCOCC)c3ncccc3n2
+C1CNCCN1N
+C1CNCCN1S(=O)(=O)C
+C1CNCCN1S(=O)(=O)CC
+C1CNCCN1c2c(-c3ccccc3)cnc4n[nH]cc24
+C1CNCCN1c2c(cc(C)cc2)C
+C1CNCCN1c2c(cc(cc2)C(=O)NC3CC3)Cl
+C1CNCCN1c2c(ccc(F)c2)OC3CCCC3
+C1CNCCN1c2c(cccc2)OC
+C1CNCCN1c2c3c(nc(Cl)n2)sc(c3)CC
+C1CNCCN1c2c3ccccc3sn2
+C1CNCCN1c2c3ncccc3cc(c2)C
+C1CNCCN1c2cc(Cl)ccc2OC
+C1CNCCN1c2cc(ccc2)OC
+C1CNCCN1c2cc(ccc2OC)-c3ccccc3
+C1CNCCN1c2cc(ccn2)B(O)O
+C1CNCCN1c2ccc(F)cc2F
+C1CNCCN1c2ccc(c(n2)N3CCC(CC3)C)[N+]([O-])=O
+C1CNCCN1c2cccc3ccccc23
+C1CNCCN1c2ccccc2[N+](=O)[O-]
+C1CNCCN1c2ncncc2OC
+C1CNCCS1(=O)=O
+C1CNCC[Si]1(C)C
+C1CNCc2c(c(c(Cl)n12)-c3cc(F)ccc3)C(=O)OCC
+C1CO1
+C1COC(O1)(C)c2ccc(CC#N)s2
+C1COC(O1)(CCCN)C
+C1COC(O1)(CCO)CCC
+C1COC(O1)(c2cccc(c2)CC(=O)OCC)C
+C1COC(O1)=O
+C1COC(O1)CN2C(=O)C=C(C)c3c2cc(OC)cc3
+C1COC(O1)CN2C(=O)C=Cc3ncc(cc23)OC
+C1COC(O1)Cc2cc3c(cc2)C(=O)OC3
+C1COC(O1)c2cccc(C(C)(C)C(OC)=O)c2
+C1COC(O1)c2ncc(s2)C(C(OC)OC)(C)O
+C1COC2(CCC(CC2)(OC)Cc3c(C)cccc3)O1
+C1COC2(O1)C(C3CCc4c(nc(-c5ccccc5OC)nc4Cl)C3(c6ccccc6)CC2)C
+C1COC2(O1)C(CCCC2)CO
+C1COC2(O1)CC(c3ccc(cc3)F)C(C(C2)Br)=O
+C1COC2(O1)CCC(CC2)N3C(C(=C(n4c3ncn4)CCC)Cc5ccc(cc5)-c6ccccc6C#N)=O
+C1COCC(C(=O)OC)C1=O
+C1COCC(O)C1N
+C1COCC1CO
+C1COCC1N
+C1COCC1O
+C1COCCC1(C(O)=O)c2ccc(cc2)OCCCN3CCCC3
+C1COCCC1(CN)O
+C1COCCC1(F)CO
+C1COCCC1(c2cc(O)cc(F)c2)C(OC)=O
+C1COCCC1(c2cccc(n2)CO)OC
+C1COCCC12OC2
+C1COCCC1C(=O)OC
+C1COCCC1C2c3c(cccc3)NC(=O)C2
+C1COCCC1C=O
+C1COCCC1CBr
+C1COCCC1CNc2ccc(cc2[N+](=O)[O-])N(C(=O)C)CC
+C1COCCC1CO
+C1COCCC1Cn2c3c(cc(S(=O)(=O)Cl)cc3)nc2C(C)(C)CC
+C1COCCC1N
+C1COCCC1N2c3c(cnc4c3cc(Br)cc4)NC2=O
+C1COCCC1NC
+C1COCCC1NC(=O)c2cc(n(CC3CCCCC3)c2C)Br
+C1COCCC1Nc2cc([N+]([O-])=O)ccc2C(OCC)=O
+C1COCCC1Oc2ccc(cc2C#N)Br
+C1COCCC1S(=O)(=O)C(C)(C)C(Nc2onc(C(C)(C)CO)c2)=O
+C1COCCC1c2cc(c(OC)cc2)N
+C1COCCN1
+C1COCCN1C
+C1COCCN1C(CC)C(=O)O
+C1COCCN1C(CCl)=O
+C1COCCN1C=2N=C(CC(O)=O)N(C)C(=O)C=2
+C1COCCN1CC#C
+C1COCCN1CC(CN2C(=O)c3c([nH]cc3C)CC2)O
+C1COCCN1CC(O)=O
+C1COCCN1CCO
+C1COCCN1Cc2nc3CN(Cc4ccccc4)CCc3c(Cl)n2
+C1COCCN1N
+C1COCCN1c2c(cccn2)C(OC)=O
+C1COCCN1c2c3ccc4[nH]ccc4c3nc(n2)Cl
+C1COCCN1c2c3nc(c(N4CCS(CC4)=O)nc3nc(Cl)n2)Cl
+C1COCCN1c2cc(C(OC)=O)c(c(N)c2)[N+](=O)[O-]
+C1COCCN1c2cc(nn3c2nc(C(OCC)=O)c3)Cl
+C1COCCN1c2ccc(c(NC(c3[nH]c4ccccc4n3)=O)c2)OC
+C1COCCN1c2ccc(cc2)B(O)O
+C1COCCN1c2ccc3c4c(c(nc3c2)O)CCC4
+C1COCCN1c2cnc3c(cc(cc3)Sc4nnc5ccc(Br)cn45)c2
+C1COCCN1c2nc(-c3cccc(OC)c3)c(c(Cl)n2)CCCl
+C1COCCN1c2nc(CCl)cs2
+C1COCCN1c2nc(N)nc(c2)Cl
+C1COCCN1c2nc(nc(c2)Cl)Cl
+C1COCCN1c2nc3n(C(C)CC)cnc3c(-c4cccc(O)c4)n2
+C1COCCO1
+C1CS(CCN1)=O
+C1CS(CCN1Cc2ccc(cc2)N)(=O)=O
+C1CSCCC12CO2
+C1CSCCC1=O
+C1CSCCN1
+C1C[N+](CCO1)(C)[O-]
+C1C[N+]2(CC[N+]1(CC2)F)CCl
+C1Cc2c(C1=O)ccc(c2)F
+C1Cc2c(c(N)ccc2)NC1
+C1Cc2c(ccc(F)c2Br)C(CC(OC)=O)N1C(=O)C
+C1Cc2c(cccc2OC)NC1C
+C1Cc2cc(Br)cnc2NC1=O
+C1Cc2cc(CC(Br)C)cc(C#N)c2N1C(=O)C
+C1Cc2cc(OC)ccc2C1=O
+C1Cc2cc(c(cc2C1)Br)OC
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+C1Cc2ccc(cc2NC1)C(=O)C
+C1Cc2ccc(cc2NC1)C(=O)OC
+C1Cc2ccc(nc2NC1)CCC(OCC)=O
+C1Cc2cccc(F)c2NC1=O
+C1Cc2ncccc2CCC1
+C1N(C(=O)CN(c2ccc([N+]([O-])=O)cc2F)C1)C
+C1N(C(OCC)=O)Cc2c1c(c(s2)N)C(OCC)=O
+C1N(C)C(=O)CCC1
+C1N(C)CCc2c(C1)cccc2Cl
+C1N(C=2N(C(NC(=O)C=2)=O)C1)C
+C1N(CC1(F)F)c2c(Cl)nc(cc2)C(=O)OC
+C1N(CC1)C(=O)c2cc(c(nc2)Cl)Cl
+C1N(CC1)c2ncnc(Cl)c2
+C1N(CC12CCNCC2)C3c4c(CC3)cc(-c5cc(C)ncn5)cc4
+C1N(CC1C#N)C(=O)C(N)C2CC2
+C1N(CC1O)c2ccc3c(cccc3)n2
+C1N(CC1O)c2nc(cs2)C(N(CCO)C)=O
+C1N(CCCC1CCl)C
+C1N(CCCNC1=O)c2nc(Cl)cs2
+C1N(CCOC)CC(c2cc(F)c(cc2)F)C1N
+C1N(CCc2c1sc(N)n2)C
+C1N2C(CCC2)CNC1
+C1N2CCCC(C2)C(O)C1
+C1N2CN3CN1CN(C2)C3
+C1NC(=O)CCNC1
+C1NC(=O)CNC1
+C1NC(C(O)=O)Cc2c3ccccc3[nH]c12
+C1NC(C)CCC1O
+C1NC(CNC1C)C
+C1NCC1(C2CC2)F
+C1NCC1(NCC)C(N)=O
+C1NCC12N(C)CCC2
+C1NCC1Cc2ccc(cc2)Cl
+C1NCC1F
+C1NCC1N2CC(C2)NC(C=C)=O
+C1NCC1N2CCNC(=O)C2
+C1NCC1OCCOC2CCCCO2
+C1NCC1Oc2ccc(cc2)Cl
+C1NCC1c2nccnc2Cl
+C1NCCn2ccnc12
+C1OB(OCC1(C)C)c2ccccc2C#N
+C1OC(C)(C)OCB1B2OCC(CO2)(C)C
+C1OC(CCC1)OCC#Cc2cc(c(N)cc2)F
+C1OC(CCC1)OCC(n2c3c(cncn3)c(I)c2)C
+C1OC(CCC1)OCC2N(C)C(CC2)=O
+C1OC(CCC1)OCCBr
+C1OC(CCC1)OCCC#C
+C1OC(CCC1)OCCCBr
+C1OC(CCC1)OCCO
+C1OC(CCC1)OCCOc2c(ccc(Cl)n2)C#N
+C1OC(CCC1)OCCc2cc(ccc2)Br
+C1OC(CCC1)OCc2cnnn2-c3cccc(c3)C(=O)OC
+C1OC(CCC1)ON
+C1OC(CCC1)Oc2cc(C)c3c(B(OC3CC(OCC)=O)O)c2
+C1OC1(C(C)c2ncccc2)c3ccc(cc3F)F
+C1OCC(CO)NC1
+C1OCC(NC1)=O
+C1OCC1(CBr)CO
+C1OCC1(CC(=O)OCC)N
+C1OCC1(CO)C
+C1OCC1(CO)CCC
+C1OCC1(c2ccc(cc2)OCc3cccc(c3)-c4c(cc(cc4C)O)C)CC(=O)OCC
+C1OCC1(c2nccs2)N
+C1OCC1=O
+C1OCC1N
+C1ONCC1
+C1Oc2cccc(c2NC1CO)OC
+C1SC=2C(N3C(C=CC(=C3)C(=O)OCC)=NC=2C1)=O
+C1c2[nH]c3c(cccc3)c2CCN1
+C1c2c(C(CC1)=O)ccc(c2)O
+C1c2c(CN1)cnn2C
+C1c2c(NCCC1)cc[nH]2
+C1c2c(OC1CC)cccc2
+C1c2c(Sc3c(C1=O)ccc(C(=O)O)c3)cccc2
+C1c2c(ccc(c2)O)CCC1C(=O)O
+C1c2c(cccc2)NCc3ccnn13
+C1c2c(cccc2O)C(CC1)=O
+C1c2c(cncc2Br)C(C(C1)C(OC)=O)=O
+C1c2c3cc(OC)ccc3[nH]c2C(CC(OCC)=O)C1
+C1c2ccc(Br)c3cccc(c23)C1
+C1c2ccccc2C(=O)c3cc(ccc3O1)C=O
+C1c2ccccc2CC1(N)C(=O)OC
+C1c2ccccc2CC1Nc3nc(nc4c3nc[nH]4)Cl
+C1c2ccccc2OC1
+C1n2c3ccc(C(=O)O)cc3nc2CNC1
+C=1(C(=O)C)C(=O)C2(c3c(c(C(=O)N)c(OC)cc3O)OC2=CC=1O)C
+C=1(C(NC(N(C=1)COC)=O)=O)[N+]([O-])=O
+C=1(Cl)NCCN=1
+C=1(N(CCCC)C(NC(=O)C=1)=O)C
+C=1(N)NC(=O)NC(=O)C=1
+C=1(N=C2SC=C(C)N2C(C=1)=O)C(C)Br
+C=1(NC(n2c(ncc2)C=1)=O)c3cc(Cl)ncc3
+C=12C(CC(CC=1NC(=C(C#N)C2c3cc(c(O)c([N+]([O-])=O)c3)Br)C)CCC)=O
+C=1C(C(Cl)(SC=1)C(=O)OC)=O
+C=1C(Oc2c(ccc(c2)O)C=1)=O
+C=1C=C(C=C)C(N(c2ccc([N+]([O-])=O)cc2OC)C=1)=O
+C=1C=CCC=1
+C=1OC(c2cccc([N+]([O-])=O)c2C=1)=O
+C=C(C)Cc1c(O)c(ccc1Cl)[N+]([O-])=O
+C=CC(=O)C
+C=CC(=O)O
+C=CC(=O)OC
+C=CCOC(CC(=O)C)=O
+C=CCn1c2c(N(CCCC)C(NC2=O)=O)nc1
+C=C[Mg]Br
+C=O
+C=[N+]=[N-]
+CC(=O)C(C(C)=O)C
+CC(=O)CC(C)=O
+CC(=O)CCCCCCCC(=O)O
+CC(=O)NCC(=O)O
+CC(=O)Nc1cc(F)c(cc1)C(=O)C
+CC(=O)Nc1cc(c(cc1)Br)C(=O)O
+CC(=O)Nc1cc(c(cc1)O)C(=O)C
+CC(=O)Nc1cccc(c1)O
+CC(=O)OC(C)=O
+CC(C(=O)O)c1cc(Cl)c(cc1)-n2nccc2
+CC(C(=O)O)c1ccc([N+]([O-])=O)c(F)c1
+CC(C)(C#C)N
+CC(C)(C#C)O
+CC(C)(C#N)C(=O)CC#N
+CC(C)(C#N)Cc1cc(Br)ccc1
+CC(C)(C#N)O
+CC(C)(C#N)c1c(Cl)cc(cc1)OC
+CC(C)(C#N)c1c(cc(cc1)[N+](=O)[O-])Br
+CC(C)(C#N)c1cc(Br)c(F)cc1
+CC(C)(C#N)c1ccc(cn1)[N+]([O-])=O
+CC(C)(C#N)c1cccc(Br)n1
+CC(C)(C#N)n1ncc(Cl)c1
+CC(C)(C(=O)Br)Br
+CC(C)(C(=O)C(=O)OC)C(=O)OC
+CC(C)(C(=O)C)CCl
+CC(C)(C(=O)N)c1c(O)cccc1
+CC(C)(C(=O)O)N(C)C
+CC(C)(C(=O)OC)COc1ncc(-c2cc3nc(cc(C(=O)O)c3cc2)C)cc1
+CC(C)(C(=O)OC)c1ncc(Br)cc1[N+]([O-])=O
+CC(C)(C(=O)OCC)Br
+CC(C)(C(C)=O)CO
+CC(C)(C(C)C)C(=O)C
+CC(C)(C(Cl)=O)CC
+CC(C)(C(Cl)=O)CCl
+CC(C)(C(O)=O)CC
+CC(C)(C(O)=O)CCCCOCCCCCl
+CC(C)(C(O)=O)CO
+CC(C)(C(O)C)O
+CC(C)(C(OC)=O)Br
+CC(C)(C(OC)=O)OCCCCCCCC=C
+CC(C)(C(OC)=O)c1cc(Br)c(c(C=O)c1)OC
+CC(C)(C(OCC)=O)C#N
+CC(C)(C(OCC)=O)Oc1ccc(cc1)OCCCl
+CC(C)(C(OCC)=O)n1cc([N+]([O-])=O)cn1
+CC(C)(C)C#C
+CC(C)(C)C(=N)OC
+CC(C)(C)C(=N)OCC
+CC(C)(C)C(=NO)N
+CC(C)(C)C(=O)CBr
+CC(C)(C)C(=O)CC#N
+CC(C)(C)C(=O)CCl
+CC(C)(C)C(=O)COc1c(C)cc(C(CC)(CC)c2ccc(cc2)I)cc1
+CC(C)(C)C(=O)Cl
+CC(C)(C)C(=O)N
+CC(C)(C)C(=O)Nc1c(F)cc(c(c1)F)F
+CC(C)(C)C(=O)Nc1ccc(c(C)n1)C=O
+CC(C)(C)C(=O)Nc1nc(-c2c(OC)cc(c(CC)c2)CCO[Si](C)(C)C(C)(C)C)ccc1
+CC(C)(C)C(=O)Nc1nc(O)c2c3ccccc3[nH]c2n1
+CC(C)(C)C(=O)Nc1nc(ccc1)Cl
+CC(C)(C)C(=O)O
+CC(C)(C)C(=O)OCN1C=Nc2cc(OCC(O)CN3CCCC3)c(OC)cc2C1=O
+CC(C)(C)C(=O)Oc1cc2CCC(Cc2cc1)c3ccc(cc3NCC)OC
+CC(C)(C)C(=O)c1cc(ccc1-c2cc(ccc2F)OC)CO
+CC(C)(C)C(=S)N
+CC(C)(C)C(C#N)C#N
+CC(C)(C)C(C(=O)N(C(C=C(C(=O)OCC)C)C(C)C)C)N
+CC(C)(C)C(C(=O)N1C2CC(NC2)C1)NC(=O)c3[nH]c4ccccc4c3
+CC(C)(C)C(C(O)=O)N
+CC(C)(C)C(C(OC)=O)N
+CC(C)(C)C(C)=O
+CC(C)(C)C(CN)O
+CC(C)(C)C(CN1c2nc(C)nn2C(=C(C1=O)Cc3ccc(cc3)-c4ccccc4C#N)CCC)=O
+CC(C)(C)C(CO)CO
+CC(C)(C)C(N)C
+CC(C)(C)C(N)C#N
+CC(C)(C)C(N)C(=O)NC
+CC(C)(C)C(N)CO
+CC(C)(C)C(NC(OC(C)(C)C)=O)C(O)=O
+CC(C)(C)C(NC(OCc1ccccc1)=O)C(=O)O
+CC(C)(C)C(NCc1ccc(c([N+]([O-])=O)c1)NCOC(=O)N2CCCC2)C
+CC(C)(C)C(Nc1c(F)c(-c2nc(sc2-c3nc(ncc3)SC)C4CC4)cc(Cl)c1)=O
+CC(C)(C)C(Nc1c(c2OCC3C(C3(Br)Br)c2c(F)c1)C(=O)OC)=O
+CC(C)(C)C(Nc1cc(Br)c(F)cc1)=O
+CC(C)(C)C(Nc1ccc(F)cc1F)=O
+CC(C)(C)C(Nc1ccc(cc1)Br)=O
+CC(C)(C)C(Nc1ccc(cc1)O)=O
+CC(C)(C)C(Nc1cccc(c1)Br)=O
+CC(C)(C)C(Nc1ccccc1B(O)O)=O
+CC(C)(C)C(OCCl)=O
+CC(C)(C)C(OCN1C=Nc2c(C1=O)c(cc(O)c2)OCCCl)=O
+CC(C)(C)C(OCN=[N+]=[N-])=O
+CC(C)(C)C(c1[nH]nc2cc(OC)ccc12)=O
+CC(C)(C)C1CCC(CC1)=O
+CC(C)(C)C1CCC(CC1)N
+CC(C)(C)C1CCC(CC1)Oc2c3ccc(cc3ccc2)I
+CC(C)(C)C1CCC(CC1)Oc2ccc3cc(Br)ccc3c2
+CC(C)(C)C1CCN(CC1)CCCN
+CC(C)(C)C1CCc2nc3c(cc2C1)cc(s3)C(O)=O
+CC(C)(C)C=1OC(c2cc(I)ccc2N=1)=O
+CC(C)(C)C=C
+CC(C)(C)C=O
+CC(C)(C)CC(=O)Nc1c(c(C)c2OCC(c3ccc(cc3)C4OCCO4)c2c1C)C
+CC(C)(C)CC(=O)Nc1c(c(c2c(c1C)C(c3cccc(c3)OC)CO2)C)C
+CC(C)(C)CC(C)(C)N
+CC(C)(C)CC(C)(C)c1c(cc2C(CC(Oc2c1)(COc3ccc(cc3)[N+]([O-])=O)C)=O)OC(C)=O
+CC(C)(C)CC(Cl)=O
+CC(C)(C)CC1C2(c3c(cc(Cl)c(F)c3)NC2=O)C(C(C(=O)O)N1)c4c(F)c(ccc4)Cl
+CC(C)(C)CCBr
+CC(C)(C)CCC(C(OC)=O)N1CC(=CC1=O)Oc2c(cccc2)Cl
+CC(C)(C)CCN
+CC(C)(C)CCN1CCNCC1
+CC(C)(C)CI
+CC(C)(C)CN
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+CC(C)(C)OC(=O)NC1COC(CC1)CC(=O)OC
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+CC(C)(C)OC(=O)NCCCOCCOCCOCCCN
+CC(C)(C)OC(=O)NCCN1C2CCC1CC(c3cc4c(cccc4)cc3)=C2
+CC(C)(C)OC(=O)NCCN1NC(=O)C=C1C(=O)OCC
+CC(C)(C)OC(=O)NCCO
+CC(C)(C)OC(=O)NCCS
+CC(C)(C)OC(=O)NCCc1ncc(Cl)cc1Cl
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+CC(C)(C)OC(=O)NCc1cc2c(cc1)n(CCC(C)C)c(CCl)n2
+CC(C)(C)OC(=O)NCc1ccc(cc1)B(O)O
+CC(C)(C)OC(=O)NCc1ccc(cc1)CN
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+CC(C)(C)OC(=O)NCc1cnc(cc1)CO
+CC(C)(C)OC(=O)NCc1nc(cs1)C(=O)NCCc2cccc(Cl)c2
+CC(C)(C)OC(=O)NN1C(CNCC1)=O
+CC(C)(C)OC(=O)NNC(=O)c1c(OCC)cc(cc1)[N+]([O-])=O
+CC(C)(C)OC(=O)NNC(c1ccc(cc1)-c2c(ccc(c2)C(=O)NC3CC3)C)=O
+CC(C)(C)OC(=O)NNc1cc(Cl)c(F)cc1
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+CC(C)(C)OC(=O)Nc1c(Nc2nc(NC3CCC(c4ccccc34)=O)c([N+]([O-])=O)cn2)cc(cc1)F
+CC(C)(C)OC(=O)Nc1c(cc(OC)nc1)I
+CC(C)(C)OC(=O)Nc1c(cc(cc1)OC)OCCCBr
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+CC(C)(C)OC(=O)Nc1cc(cc(I)c1)N
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+CC(C)(C)OC(=O)Nc1cc(sc1C(OC)=O)Br
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+CC(C)(C)OC(=O)Nc1ccc(cc1)B(O)O
+CC(C)(C)OC(=O)Nc1ccc(cc1)C(O)=O
+CC(C)(C)OC(=O)Nc1ccc(cc1)N
+CC(C)(C)OC(=O)Nc1ccc(cc1)O
+CC(C)(C)OC(=O)Nc1ccc(cc1Br)C(=O)N(OC)C
+CC(C)(C)OC(=O)Nc1ccc2c(c1)[nH]c3c2cc(Br)cc3C(N)=O
+CC(C)(C)OC(=O)Nc1cccc(Br)c1
+CC(C)(C)OC(=O)Nc1cccc(N)c1
+CC(C)(C)OC(=O)Nc1cccc(OC=2C(=C(N(C(C=2)=O)C)Nc3c(cc(I)cc3)F)C(=O)NCc4ccc(cc4)OC)c1C
+CC(C)(C)OC(=O)Nc1cccc(n1)I
+CC(C)(C)OC(=O)Nc1ccccc1C(N(C)OC)=O
+CC(C)(C)OC(=O)Nc1cccnc1Cl
+CC(C)(C)OC(=O)Nc1ncc(C#N)cc1
+CC(C)(C)OC(=O)Nc1ncc(cn1)B(O)O
+CC(C)(C)OC(=O)Nc1nccc(CC(OCC)=O)c1
+CC(C)(C)OC(=O)Nc1ncccc1C
+CC(C)(C)OC(=O)Nc1ncsc1
+CC(C)(C)OC(=O)Nc1sc(nc1C(Nc2c(n(nc2)C)C3CCC(CC3)=O)=O)-c4c(F)cccc4F
+CC(C)(C)OC(=O)Nn1cccc1
+CC(C)(C)OC(=O)OC(=O)O
+CC(C)(C)OC(=O)OC(=O)OC(C)(C)C
+CC(C)(C)OC(=O)Oc1ccccc1
+CC(C)(C)OC(=O)c1c(c(c2cccnn12)C(=O)OCC)C
+CC(C)(C)OC(=O)c1cc(F)c(c(c1)-c2ccc(C(NCC(C)(C)C)=O)cc2C(OC)=O)C
+CC(C)(C)OC(=O)c1ccc(N2S(=O)(=O)COCC2)cc1Cl
+CC(C)(C)OC(=O)c1ccc(cc1)C#CC#N
+CC(C)(C)OC(=O)c1ccc2C(N)CCc2c1C
+CC(C)(C)OC(=O)c1ccc2n(c(C(=O)c3ccc(c(C(=O)OC)c3)[N+](=O)[O-])nc2)c1
+CC(C)(C)OC(=O)c1cccc(n1)Br
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+CC(C)(C)OC(=O)c1ccccc1N2CN(C3(CCN(CC3)C(OCc4ccccc4)=O)C2=O)c5ccccc5
+CC(C)(C)OC(=O)n1c(B(O)O)ccc1
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+CC(C)(C)OC(=O)n1c2c(c3c1ccc(c3Cl)Cl)CCCC2=O
+CC(C)(C)OC(=O)n1c2c(cc1B(O)O)cccc2Cl
+CC(C)(C)OC(=O)n1c2c(cn1)cc(N)cc2
+CC(C)(C)OC(=O)n1cc(nc1N)CCCCCC#C
+CC(C)(C)OC(=O)n1cnc2c1c(F)cc(c2C)[N+](=O)[O-]
+CC(C)(C)OC(C#C)=O
+CC(C)(C)OC(C(Br)C)=O
+CC(C)(C)OC(C(C(OC)=O)CN)=O
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+CC(C)(C)OC(C(C)(C)Sc1nc(CCN2C(c3c(C2=O)cccc3)=O)cs1)=O
+CC(C)(C)OC(C(C)(C)Sc1nc(cs1)CC(=O)OCC)=O
+CC(C)(C)OC(C(C1(CCN(C1=O)CCc2ccccc2)CC(C)C)CN=[N+]=[N-])=O
+CC(C)(C)OC(C(C1CCCC1)c2ccc(cc2)CBr)=O
+CC(C)(C)OC(C(CC(=O)c1ccccc1[N+]([O-])=O)C(=O)C)=O
+CC(C)(C)OC(C(O)C1C(=O)NCCO1)=O
+CC(C)(C)OC(C(P(OCC)(OCC)=O)CCCCl)=O
+CC(C)(C)OC(C(c1ccc(cc1)COC(C)=O)C2CCCC2)=O
+CC(C)(C)OC(C)=O
+CC(C)(C)OC(C)C1N(C(=O)OC1)c2nc(Cl)ncc2
+CC(C)(C)OC(C1C(CC)CC(C(OC)=O)C1)=O
+CC(C)(C)OC(C1C(c2cc(ccc2)C(=O)OC)C1)=O
+CC(C)(C)OC(C1CCCN2C(CCC(N3C(=O)c4c(C3=O)cccc4)C(=O)N12)=O)=O
+CC(C)(C)OC(C1COC(=O)N1)C
+CC(C)(C)OC(C1N(CCC1)c2ccc(c(c2C)COc3c4nc(C)ccc4ccc3)C)=O
+CC(C)(C)OC(C1N(CCC1N=[N+]=[N-])C(=O)OC(C)(C)C)=O
+CC(C)(C)OC(C=1N(C)C(=O)c2ccccc2C=1c3ccc(C)c(c3)C)C(=O)OC
+CC(C)(C)OC(C=Cc1ccncc1)=O
+CC(C)(C)OC(CC(C(=O)NC1C(=O)NCCCCCCn2cc(c3c2cccc3)C1)CC(C)C)=O
+CC(C)(C)OC(CC(C(OCc1ccccc1)=O)Cc2ccccc2)=O
+CC(C)(C)OC(CC(CCCc1ccccc1)C(O)=O)=O
+CC(C)(C)OC(CC(N)C(O)=O)=O
+CC(C)(C)OC(CC(N)CC(C)C)=O
+CC(C)(C)OC(CC(NC(OCC1c2c(-c3ccccc13)cccc2)=O)C(=O)O)=O
+CC(C)(C)OC(CC(c1ccccc1)N)=O
+CC(C)(C)OC(CC(c1noc(-c2cnc(s2)CC(C)C)c1C3CC3)CCCOCc4ccccc4)=O
+CC(C)(C)OC(CC(c1onc(n1)C(N2CC(C2)C(OC)=O)=O)CCCC3CCCCC3)=O
+CC(C)(C)OC(CC1C(=O)NC=CN1S(=O)(=O)c2ccc(cc2)C)=O
+CC(C)(C)OC(CCC(=O)O)=O
+CC(C)(C)OC(CCC(C(O)=O)NC(=O)OCc1ccccc1)=O
+CC(C)(C)OC(CCC(c1ccc(cc1)F)=O)=O
+CC(C)(C)OC(CCC12CC(F)(F)C(C(C1C(OC2=O)C)C=Cc3ncc(Br)cc3)C)=O
+CC(C)(C)OC(CCSCc1cccc(C(=O)O)c1)=O
+CC(C)(C)OC(CCc1[nH]c(cc1)C(OC)=O)=O
+CC(C)(C)OC(CCc1c(cc(C(O)=O)cc1C)CC)=O
+CC(C)(C)OC(CCc1cc(S(=O)(=O)C)cc(C#N)n1)=O
+CC(C)(C)OC(CCc1ccc(cc1C)C(OC)=O)=O
+CC(C)(C)OC(CN1C(=CC=C(NC(=O)OCc2ccccc2)C1=O)C)=O
+CC(C)(C)OC(CN1C(CN(C(=O)NCc2c(cc(cc2)C(N3c4c(cccc4)CCCC3)=O)C)c5c1cccc5F)=O)=O
+CC(C)(C)OC(CNC)=O
+CC(C)(C)OC(CNC1CCCC1)=O
+CC(C)(C)OC(CNCc1c(C)cccc1)=O
+CC(C)(C)OC(COCCOCCOCCOCCO)=O
+CC(C)(C)OC(COc1ccc(cc1)CCO)=O
+CC(C)(C)OC(COc1ccc(cc1)CCSc2c(cccc2)C(OC)=O)=O
+CC(C)(C)OC(Cc1cc(F)c(c(c1)F)[N+](=O)[O-])=O
+CC(C)(C)OC(Cc1ccc2c(cc(O)cn2)c1)=O
+CC(C)(C)OC(Cn1c2cc(ccc2c(C3CCCCC3)c1Br)C(OC)=O)=O
+CC(C)(C)OC(Cn1nc(C(=O)N)c2cc(Br)ccc12)=O
+CC(C)(C)OC(N(C(C(O)=O)Cc1ccc2ccccc2c1)C)=O
+CC(C)(C)OC(N(C(C)C(O)=O)C)=O
+CC(C)(C)OC(N(C)C(Cc1ccccc1)CO)=O
+CC(C)(C)OC(N(C)C1CCC(CC1)C=C(Br)Br)=O
+CC(C)(C)OC(N(C)Cc1cn(c(c1)Br)S(=O)(=O)c2ccccc2)=O
+CC(C)(C)OC(N(CC#C)CCO[Si](C)(C)C(C)(C)C)=O
+CC(C)(C)OC(N(CC(=O)N1C(CC(O)C1)C(OC)=O)C)=O
+CC(C)(C)OC(N(CC=O)C)=O
+CC(C)(C)OC(N(CCCO)CC#C)=O
+CC(C)(C)OC(N(CCON1C(=O)c2ccccc2C1=O)C)=O
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+CC(C)(C)OC(N(Cc1cc(ccc1Cl)CCO)C2CC2)=O
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+CC(C)(C)OC(NC(Cc1ccc(cc1)Cl)CCO)=O
+CC(C)(C)OC(NC(Cc1ccc(cc1)[N+]([O-])=O)C2CN(C(O2)=O)C3(CC3)c4cccc(c4)C(C)C)=O
+CC(C)(C)OC(NC(Cc1ccc2c(ccc(n2)-c3c(cccc3Cl)Cl)c1)C(=O)OC)=O
+CC(C)(C)OC(NC(Cc1ccccc1)C(=O)O)=O
+CC(C)(C)OC(NC(c1cc(Cl)c(c(c1OC)Br)C)C)=O
+CC(C)(C)OC(NC(c1cc(ccc1)Br)CN=[N+]=[N-])=O
+CC(C)(C)OC(NC(c1ccccc1)CC(O)=O)=O
+CC(C)(C)OC(NC1(CC1)CN)=O
+CC(C)(C)OC(NC1(CC1C=C)C(=O)O)=O
+CC(C)(C)OC(NC1(CC1C=C)C(OCC)=O)=O
+CC(C)(C)OC(NC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(=O)O)=O
+CC(C)(C)OC(NC1(CCNCC1)C)=O
+CC(C)(C)OC(NC1(CNCCC1)C)=O
+CC(C)(C)OC(NC1C(=O)Nc2c(ccc(C)c2)N(C1)C3CCCC=C3)=O
+CC(C)(C)OC(NC1C(CCCC1)C#N)=O
+CC(C)(C)OC(NC1C(CCOC1)N)=O
+CC(C)(C)OC(NC1C(CN(CCO)CC1)OC)=O
+CC(C)(C)OC(NC1C(CN(Cc2ccccc2)C1)OC(=O)c3ccc(cc3)[N+](=O)[O-])=O
+CC(C)(C)OC(NC1C(N)CCCC1)=O
+CC(C)(C)OC(NC1C(N)CS(=O)(=O)CC1)=O
+CC(C)(C)OC(NC1C(NCC(CC1)O)=O)=O
+CC(C)(C)OC(NC1C(O)CN(CC1)C(=O)OCc2ccccc2)=O
+CC(C)(C)OC(NC1C2c3c(ccc(Oc4c5c(ncc4)NC(=O)CC5)c3)OC12)=O
+CC(C)(C)OC(NC1C=CC(CO)C1)=O
+CC(C)(C)OC(NC1CC(C)CN(Cc2ccccc2)C1)=O
+CC(C)(C)OC(NC1CC(C1)CO)=O
+CC(C)(C)OC(NC1CC(CC1)C(ON=C(c2ccccc2)N)=O)=O
+CC(C)(C)OC(NC1CC(CCC)C(N)CC1)=O
+CC(C)(C)OC(NC1CC1c2ccc(cc2)Br)=O
+CC(C)(C)OC(NC1CC1c2ccc(cc2)OC)=O
+CC(C)(C)OC(NC1CC=CCN(C1=O)OCc2ccccc2)=O
+CC(C)(C)OC(NC1CCC(CC1)CNc2nc(Cl)ncc2[N+]([O-])=O)=O
+CC(C)(C)OC(NC1CCCC(C1)C(OC)=O)=O
+CC(C)(C)OC(NC1CCCC1C(=O)O)=O
+CC(C)(C)OC(NC1CCCCC1C(=O)O)=O
+CC(C)(C)OC(NC1CCCN(C(=O)OCc2ccccc2)CC1)=O
+CC(C)(C)OC(NC1CCCN(C(OCc2ccccc2)=O)C1C)=O
+CC(C)(C)OC(NC1CCCNC1)=O
+CC(C)(C)OC(NC1CCN(C(C(F)(F)F)c2ccc(nc2)Cl)C1)=O
+CC(C)(C)OC(NC1CCN(C2C(CCCC2)N=[N+]=[N-])C1)=O
+CC(C)(C)OC(NC1CCN(c2c(cc(cc2)N3C(=O)OC(CO)C3)F)C1)=O
+CC(C)(C)OC(NC1CCNC1)=O
+CC(C)(C)OC(NC1CN(C(=O)OCc2ccccc2)CC(C)C1(C)O)=O
+CC(C)(C)OC(NC1CNC1)=O
+CC(C)(C)OC(NC1CNc2c(cccc2)NC1=O)=O
+CC(C)(C)OC(NC1c2c(NC(C3CC3)C1C)ccc(Br)c2)=O
+CC(C)(C)OC(NCC#C)=O
+CC(C)(C)OC(NCC(C(O)=O)Cc1cnc(OC)cc1)=O
+CC(C)(C)OC(NCC(N)c1c2cc(ccc2[nH]c1)Cl)=O
+CC(C)(C)OC(NCC(NC(c1ccc(cc1)-c2ccccc2)CC(O)=O)=O)=O
+CC(C)(C)OC(NCC(O)=O)=O
+CC(C)(C)OC(NCC1(C(C(C)C)C1)C(OC)=O)=O
+CC(C)(C)OC(NCC1=C(c2c(ccc(c2)C(O)=O)C(N1CC(C)C)=O)c3ccccc3)=O
+CC(C)(C)OC(NCC1CCC(CC1)CN)=O
+CC(C)(C)OC(NCC1CCC(CC1)NC(OCc2ccccc2)=O)=O
+CC(C)(C)OC(NCC1CCCN1C(=O)c2c(cc(cc2)C(=O)NC(CCSC)c3[nH]c4cc(ccc4n3)Cl)Cl)=O
+CC(C)(C)OC(NCC1CCN(CC1)c2ncc(S(=O)(=O)C)cc2[N+](=O)[O-])=O
+CC(C)(C)OC(NCC1CCNCC1)=O
+CC(C)(C)OC(NCC1CNC1)=O
+CC(C)(C)OC(NCC=O)=O
+CC(C)(C)OC(NCCBr)=O
+CC(C)(C)OC(NCCCCNS(=O)(=O)c1ccc(cc1)CN(Cc2nccn2C)Cc3ncc[nH]3)=O
+CC(C)(C)OC(NCCCNn1c(COCC)nc2cnc3c(cccc3)c12)=O
+CC(C)(C)OC(NCCCc1ccc(cc1)[N+]([O-])=O)=O
+CC(C)(C)OC(NCCN(CC(O)=O)CC(O)=O)=O
+CC(C)(C)OC(NCCN)=O
+CC(C)(C)OC(NCCNC(Nc1ccc(cc1)NC(OCC2c3ccccc3-c4ccccc24)=O)=O)=O
+CC(C)(C)OC(NCCNC)=O
+CC(C)(C)OC(NCCOCCOCCOCCN)=O
+CC(C)(C)OC(NCCOc1ccc(N)cc1OC)=O
+CC(C)(C)OC(NCCn1ccc2ncnc(Cl)c12)=O
+CC(C)(C)OC(NCc1c(F)c(Cl)cc(c1)C(O)=O)=O
+CC(C)(C)OC(NCc1ccc(Cl)cc1CN)=O
+CC(C)(C)OC(NCc1ccc(c(N=C=S)c1)Cl)=O
+CC(C)(C)OC(NCc1cccc([N+](=O)[O-])c1)=O
+CC(C)(C)OC(NCc1sc(cn1)C=O)=O
+CC(C)(C)OC(NN)=O
+CC(C)(C)OC(NNC(=O)OC(C)(C)C)=O
+CC(C)(C)OC(NO)=O
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)Br)onc1C)=O
+CC(C)(C)OC(Nc1c(C(O)=O)sc(SC)c1C#N)=O
+CC(C)(C)OC(Nc1c(C)nc(cc1)Cl)=O
+CC(C)(C)OC(Nc1c(Cl)c(cc(C#N)c1)C(CCO)=C)=O
+CC(C)(C)OC(Nc1c(O)ccc(Br)c1)=O
+CC(C)(C)OC(Nc1c(ccc(O)c1C)C)=O
+CC(C)(C)OC(Nc1c(ccc([N+](=O)[O-])c1)F)=O
+CC(C)(C)OC(Nc1c(ccc(c1)Oc2ccc([N+](=O)[O-])cn2)F)=O
+CC(C)(C)OC(Nc1c2c(ccc1Cl)nc(-c3n[nH]cc3)cc2)=O
+CC(C)(C)OC(Nc1cc(C=C)ncn1)=O
+CC(C)(C)OC(Nc1cc(N)c(F)cc1)=O
+CC(C)(C)OC(Nc1cc(N2C(NCC2)=O)ccc1)=O
+CC(C)(C)OC(Nc1cc(c(C(F)(F)F)cc1[N+]([O-])=O)C)=O
+CC(C)(C)OC(Nc1cc2CC3(CC3)C(CC=O)c2cc1)=O
+CC(C)(C)OC(Nc1cc2c(cc1)[nH]cc2C(=O)C(=O)OC)=O
+CC(C)(C)OC(Nc1ccc(C)c(c1)-c2ccc(cc2)C(=O)OCC)=O
+CC(C)(C)OC(Nc1ccc(F)c(C2(N=C(N)c3nc(c(C#N)n3C2)Cl)C)c1)=O
+CC(C)(C)OC(Nc1ccc(N)c(Br)n1)=O
+CC(C)(C)OC(Nc1ccc(cc1)C(=O)Nc2cc(Nc3nc(c(Cl)cc3)-c4c5ccccc5n(S(=O)(=O)c6ccccc6)c4)ccc2)=O
+CC(C)(C)OC(Nc1ccc(cc1)C(N2CCC(C2)Nc3ncc(Cl)c(-c4c5c(n(S(=O)(=O)c6ccccc6)c4)cccc5)n3)=O)=O
+CC(C)(C)OC(Nc1ccc(cc1F)B(O)O)=O
+CC(C)(C)OC(Nc1cccc(N2c3c(C=C(C2=O)CC)cnc(n3)SC)c1)=O
+CC(C)(C)OC(Nc1cccc(NC2CC2)c1)=O
+CC(C)(C)OC(Nc1cccc(c1)O)=O
+CC(C)(C)OC(Nc1cccc(n1)CCO)=O
+CC(C)(C)OC(Nc1cn2nc(ccc2n1)I)=O
+CC(C)(C)OC(Nc1csc(c1)Br)=O
+CC(C)(C)OC(Nc1nc(CC(=O)OCC)cs1)=O
+CC(C)(C)OC(Nc1ncc(nc1)COC(=O)C)=O
+CC(C)(C)OC(Nc1ncc(s1)C(OCC)=O)=O
+CC(C)(C)OC(Nc1onc(c1)-c2cccc(Br)c2)=O
+CC(C)(C)OC(Nc1sc(nc1C(=O)OCC)Br)=O
+CC(C)(C)OC(OC(C)(C)C)=O
+CC(C)(C)OC(OC(C)(C)C)N(C)C
+CC(C)(C)OC(c1[nH]c(c(c1C)C(OCC)=O)CC(OCC)=O)=O
+CC(C)(C)OC(c1c(cc(CO[Si](C)(C)C(C)(C)C)c(Cl)c1)F)=O
+CC(C)(C)OC(c1c(nc2ccc(Br)cc2c1-c3ccc(cc3)F)C)=O
+CC(C)(C)OC(c1c(scc1)-c2ccc(-c3ccc(cc3)C4(CC4)C(=O)OCC)c(OC)c2)=O
+CC(C)(C)OC(c1c(scc1)-c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(=O)OCC)=O
+CC(C)(C)OC(c1cc(Cl)c(F)cc1F)=O
+CC(C)(C)OC(c1cc(F)c(c(F)c1)CSc2n(c(cn2)C(C)(C)c3ccc(Cl)c(OC)c3)-c4ccc(cc4)F)=O
+CC(C)(C)OC(c1ccc(-c2ccccc2)cc1NC(=O)c3c(O)ccc(C)c3)=O
+CC(C)(C)OC(c1ccc(cc1)B(O)O)=O
+CC(C)(C)OC(c1ccc(cc1)Br)=O
+CC(C)(C)OC(c1ccc(cc1)N)=O
+CC(C)(C)OC(c1cccc(c1)N2Cc3c(CC2)c(cnc3)C(OC)=O)=O
+CC(C)(C)OC(c1ccccc1CN2C(=O)C3(CCN(CC3)C(=O)OCc4ccccc4)N(c5ccccc5)C2)=O
+CC(C)(C)OC(n1c(-c2ccc(Cl)c(c2)S(=O)(=O)Cc3cc(Cl)ccc3)cc4ccccc14)=O
+CC(C)(C)OC(n1c(-c2ccc(cc2)NS(=O)(=O)CC)ccc1)=O
+CC(C)(C)OC(n1c(cc(N)n1)C)=O
+CC(C)(C)OC(n1c(cc2c1cccc2)C(C(=O)OCC)C)=O
+CC(C)(C)OC(n1c2c(cc1B(O)O)cccc2)=O
+CC(C)(C)OC(n1c2ccc(Br)cc2cn1)=O
+CC(C)(C)OC(n1c2ccc(OCc3ccccc3)cc2cc1C(=O)OCC)=O
+CC(C)(C)OC(n1cnc2ccc(N)cc12)=O
+CC(C)(C)OC(n1nc(c(-c2ccc(C#N)c(c2)Cl)c1C)C)=O
+CC(C)(C)OCC(=O)CC(OCC)=O
+CC(C)(C)OCCOCCOCCOCCO
+CC(C)(C)OCCON
+CC(C)(C)OCCn1cc(cn1)-c2cc(-c3nc4ccccc4o3)c(nc2)N
+CC(C)(C)OCc1c(C(OC)=O)c(on1)C(C)C
+CC(C)(C)OCc1c(cn[nH]1)C(=O)OCC
+CC(C)(C)OCl
+CC(C)(C)ON
+CC(C)(C)ON=O
+CC(C)(C)OO
+CC(C)(C)Oc1cc(-n2cc(F)c(F)c2)ccc1[N+](=O)[O-]
+CC(C)(C)Oc1ccc(C(CCl)O)c2sc(OC(C)C)nc12
+CC(C)(C)Oc1ccccc1CO
+CC(C)(C)S
+CC(C)(C)S(=O)N
+CC(C)(C)S(=O)NC(C)C1CCOCC1
+CC(C)(C)S(N=C(c1cc(Br)ccc1)c2c(C#N)nccc2)=O
+CC(C)(C)S(N=CCCCC(=O)OC)=O
+CC(C)(C)S(NC(C)(CCO)c1cc(c(F)cc1F)Br)=O
+CC(C)(C)S(NC(CC(C(=O)OCC)C)c1c(cccc1OC)F)=O
+CC(C)(C)S(NC(CCC)c1cc(cnc1)Br)=O
+CC(C)(C)S(NC(c1c(ccc(n1)Br)F)(CC(O)C(F)(F)F)CF)=O
+CC(C)(C)S(NC(c1ccnc(c1)Br)CC)=O
+CC(C)(C)S(NC(c1noc(c1)-c2ccc(cc2)Cl)C)=O
+CC(C)(C)Sc1ccc(cc1)Br
+CC(C)(C)[N+]#[C-]
+CC(C)(C)[SiH2]OC(C)(C)C1CCC(CC1)CO
+CC(C)(C)[SiH2]OC(C)(C)C1NCCC1
+CC(C)(C)[SiH2]OC(C)(C)c1cc(ccc1Cl)C=O
+CC(C)(C)[SiH2]OC(C)(C)c1cc(nc(Cl)c1)N
+CC(C)(C)[SiH2]OC(C)(C)c1ccnc(Br)c1
+CC(C)(C)[SiH2]OC(C)(C)c1nc(CO)ccc1
+CC(C)(C)[SiH](C)C
+CC(C)(C)[Si](C)(C)C#C
+CC(C)(C)[Si](C)(C)Cl
+CC(C)(C)[Si](C)(C)OC(=C)OC
+CC(C)(C)[Si](C)(C)OC(C)(C)C(n1c2c(nc1CCl)cnc3c2cccc3)CO[Si](C)(C)C(C)(C)C
+CC(C)(C)[Si](C)(C)OC(C)C1N(Cc2ccccc2)C(C(OC1)C)=O
+CC(C)(C)[Si](C)(C)OC(CC=O)c1cccc(Br)c1
+CC(C)(C)[Si](C)(C)OC(CCc1cnccc1)C(Oc2ccc(cc2)Br)C
+CC(C)(C)[Si](C)(C)OC(CN)c1ccc(c2nc(O)ccc12)O
+CC(C)(C)[Si](C)(C)OC(c1cc2c(nc1C(OC)OC)NCCC2)C
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCOS(=O)(=O)C
+CC(C)(C)[Si](C)(C)OC1C2C(CCC1)(C(CCC2)C(C)CCCC(C)(C)O)C
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)=O
+CC(C)(C)[Si](C)(C)OC1CCC(N=[N+]=[N-])C1
+CC(C)(C)[Si](C)(C)OC1CN(CCC1N2CCOCC2)C(OCc3ccccc3)=O
+CC(C)(C)[Si](C)(C)OC1CN2C(Cc3ccc(cc3)C#N)(C1)C(N(c4cc(Cl)cc(c4)Cl)C2=O)=O
+CC(C)(C)[Si](C)(C)OC1CNC1
+CC(C)(C)[Si](C)(C)OC1COC2C(COC12)NCc3ccccc3
+CC(C)(C)[Si](C)(C)OCC#C
+CC(C)(C)[Si](C)(C)OCC(C)(C)n1cc(c2c1ncnc2)I
+CC(C)(C)[Si](C)(C)OCC(C)CBr
+CC(C)(C)[Si](C)(C)OCC(C)O
+CC(C)(C)[Si](C)(C)OCC(C=C)N(CC(=O)N(C)OC)C(=O)OC(C)(C)C
+CC(C)(C)[Si](C)(C)OCC(CCO)N
+CC(C)(C)[Si](C)(C)OCC(CCOCc1ccc(cc1)OC)=C
+CC(C)(C)[Si](C)(C)OCC(CNC(OC(C)(C)C)=O)n1c2c3c(cccc3)ncc2nc1CCl
+CC(C)(C)[Si](C)(C)OCC(COCc1ccccc1)n2c(nc3cnc4ccccc4c23)CCl
+CC(C)(C)[Si](C)(C)OCC(N1c2nc(OC)c(cc2C(C(=C1)C(OCC)=O)=O)Br)C(C)C
+CC(C)(C)[Si](C)(C)OCC(ON1C(c2c(C1=O)cccc2)=O)CCP(OCC)(OCC)=O
+CC(C)(C)[Si](C)(C)OCC(ONc1ncnc(Cl)c1NC=O)COCP(OCC)(OCC)=O
+CC(C)(C)[Si](C)(C)OCC1(CC(SC)=NCCS1)C
+CC(C)(C)[Si](C)(C)OCC1C(CC(C1)O)O[Si](C)(C)C(C)(C)C
+CC(C)(C)[Si](C)(C)OCC1CC(CC1O)n2ccc3c(ncnc23)NC4c5ccccc5CC4
+CC(C)(C)[Si](C)(C)OCC1CC1(c2ncccc2)C=O
+CC(C)(C)[Si](C)(C)OCC1CCc2c1c3c(Cl)ncnc3s2
+CC(C)(C)[Si](C)(C)OCC1OC(C(C1)O)n2c3ncnc(N)c3nc2
+CC(C)(C)[Si](C)(C)OCC1c2ccccc2CC1N
+CC(C)(C)[Si](C)(C)OCC=O
+CC(C)(C)[Si](C)(C)OCCBr
+CC(C)(C)[Si](C)(C)OCCC1OCCc2c1ccc(c2)C(=O)N
+CC(C)(C)[Si](C)(C)OCCC1OCCc2cc(-c3cnccc3)ccc12
+CC(C)(C)[Si](C)(C)OCCCBr
+CC(C)(C)[Si](C)(C)OCCCCBr
+CC(C)(C)[Si](C)(C)OCCCCCC(OC)C
+CC(C)(C)[Si](C)(C)OCCCCCCN(C(=O)C(=O)OCC)C(C)(C)C
+CC(C)(C)[Si](C)(C)OCCCCCCc1cccc(OCCCC(OCC)=O)c1CCC(OCC)=O
+CC(C)(C)[Si](C)(C)OCCCCNc1c2ccccc2ncc1[N+]([O-])=O
+CC(C)(C)[Si](C)(C)OCCCN(C(OCc1ccccc1)=O)CC
+CC(C)(C)[Si](C)(C)OCCCN1C(=O)N(c2scc(c2C1=O)C)C
+CC(C)(C)[Si](C)(C)OCCCOc1ccc(Cc2c(C)nc(nc2OS(=O)(=O)c3c(C)cc(cc3C)C)N)c(c1)OC
+CC(C)(C)[Si](C)(C)OCCC[N+](=O)[O-]
+CC(C)(C)[Si](C)(C)OCCCc1c2c(c(ccc2Nc3c(-c4ncccn4)oc5cnccc35)Cl)n(n1)C(OC(C)(C)C)=O
+CC(C)(C)[Si](C)(C)OCCN1C(=O)C(C)(C)c2cc(N)c(cc12)N
+CC(C)(C)[Si](C)(C)OCCN1CCCC(=O)c2cn(Cc3ccc(cc3)OC)nc12
+CC(C)(C)[Si](C)(C)OCCO
+CC(C)(C)[Si](C)(C)OCCc1cc(ccc1)O
+CC(C)(C)[Si](C)(C)OCCc1cc(sc1)CCO
+CC(C)(C)[Si](C)(C)OCCc1cc2ccccc2n1-c3ccc(cc3)OCc4ccccc4
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)-c2cc3c(CN(CC3)C(=O)COC(C)=O)cc2
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)CC(C(=O)OC)C
+CC(C)(C)[Si](C)(C)OCCn1cc-2c(CCc3c-2sc4ncnc(Nc5cc(c(OCc6ncccc6)cc5)Cl)c34)n1
+CC(C)(C)[Si](C)(C)OCc1c(cc(NC(=O)CCN(C)C2CCC(CC2)OC(C(c3cccs3)(c4cccs4)O)=O)c(c1)Cl)OC
+CC(C)(C)[Si](C)(C)OCc1cc(OCC)c(c(OCC)c1)F
+CC(C)(C)[Si](C)(C)OCc1cc(cc(Cl)c1Cl)CCN
+CC(C)(C)[Si](C)(C)OCc1cc2c(c(F)cc(Cl)c2)n1CCC(OCC)=O
+CC(C)(C)[Si](C)(C)OCc1cc2cc(-c3c(Cl)nc4ccccc4c3)n(c2cc1)C(=O)OC(C)(C)C
+CC(C)(C)[Si](C)(C)OCc1cc2cccnc2c(c1)Br
+CC(C)(C)[Si](C)(C)OCc1ccc(COC)n2nc(cc12)C(F)(F)F
+CC(C)(C)[Si](C)(C)OCc1ccc(n2nc(C(F)(F)F)cc12)I
+CC(C)(C)[Si](C)(C)OCc1n(C)c2cc3CCCCC(c3cc2c1)O
+CC(C)(C)[Si](C)(C)Oc1c(C)cc(cc1C)C2CC2
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1CCC)CO)CCC
+CC(C)(C)[Si](C)(C)Oc1cc(Br)ccc1
+CC(C)(C)[Si](C)(C)Oc1cc(OCc2cc(ccc2)OCc3ccccc3)c4cc(oc4c1)C(CBr)=O
+CC(C)(C)[Si](C)(C)Oc1cc2NC(Nc2cc1)=S
+CC(C)(C)[Si](C)(C)Oc1cc2[nH]ccc2cc1
+CC(C)(C)[Si](C)(C)Oc1cc2c(I)nn(c2cc1)C(=O)OC(C)(C)C
+CC(C)(C)[Si](C)(C)Oc1cc2n(nc(N3C(=O)c4c(C3=O)cccc4)c2cc1)C(OC(C)(C)C)=O
+CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C=O)c2)cc1C(C)(C)CC
+CC(C)(C)[Si](C)(C)Oc1ccc(OCc2ccccc2)cc1C
+CC(C)(C)[Si](C)(C)Oc1ccc(c(CO)c1)Br
+CC(C)(C)[Si](C)(C)Oc1ccc(c(N)c1)N
+CC(C)(C)[Si](C)(C)Oc1ccc(c2c1cccc2)C#CCCNC(=O)OCc3ccccc3
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)B(O)O
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)Br
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)CC(OC)C(O)=O
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)I
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(nn2C3CCCCO3)C(=O)OC
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)ccc(c2)C=O
+CC(C)(C)[Si](C)(C)Oc1ccc2c(nc(-c3ccc(cc3)[N+](=O)[O-])cn2)c1
+CC(C)(C)[Si](C)(C)Oc1cccc(S)c1
+CC(C)(C)[Si](C)(C)Oc1cccc2cc[nH]c12
+CC(C)(C)c1c(CC(OC)OC)c2c(cc([N+]([O-])=O)cc2)[nH]1
+CC(C)(C)c1c(O)ccc(C(=O)O)c1
+CC(C)(C)c1c(OC)cccc1
+CC(C)(C)c1c(c(-c2nc3cc(-c4c(cccc4)C(F)(F)F)nc(c3[nH]2)OCCO[Si](C)(C)C(C)(C)C)n(n1)C)Cl
+CC(C)(C)c1c(c(C(C)(C)C)c(C)c(OC2OCCCC2)c1)O
+CC(C)(C)c1c(cc(cc1)OC(OC(C)(C)C)=O)O
+CC(C)(C)c1c(ccc(CC(C(OC)=O)NC)c1)O
+CC(C)(C)c1c(ccc(c1)Br)N2CCCCC2
+CC(C)(C)c1c(cccc1)N
+CC(C)(C)c1cc(C)c(c(c1O)C)CCl
+CC(C)(C)c1cc(CSC)c(c(Cl)c1)N
+CC(C)(C)c1cc(N)c(OC)c(c1)NS(=O)(=O)C
+CC(C)(C)c1cc(N)n(n1)-c2ccc(cc2)C(OC)=O
+CC(C)(C)c1cc(N)no1
+CC(C)(C)c1cc(N=C=O)no1
+CC(C)(C)c1cc(NC(=O)OCC(Cl)(Cl)Cl)n(C)n1
+CC(C)(C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])OC
+CC(C)(C)c1cc(c(C)cc1SC#N)O
+CC(C)(C)c1cc(cc(Br)c1)O
+CC(C)(C)c1cc(cc(C(=O)O)c1)Br
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)OC
+CC(C)(C)c1cc(ccc1)Br
+CC(C)(C)c1cc(ccc1)N
+CC(C)(C)c1cc(ccc1)O
+CC(C)(C)c1cc(ccc1C2(CC2)OCC)OS(=O)(=O)C(F)(F)F
+CC(C)(C)c1cc(ccc1OC(OC)=O)Br
+CC(C)(C)c1cc(n(n1)C)N
+CC(C)(C)c1cc(nn1C)N
+CC(C)(C)c1cc(no1)NC(=O)Nc2cc(ccc2)S
+CC(C)(C)c1cc(no1)Nc2n(c3ccc(cc3n2)Nc4nc(ncc4)Cl)C
+CC(C)(C)c1cc2c(c(F)c1)c(O)nnc2
+CC(C)(C)c1ccc(C(O)=O)cc1[N+](=O)[O-]
+CC(C)(C)c1ccc(CC(O)=O)c(OC)c1
+CC(C)(C)c1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1
+CC(C)(C)c1ccc([N+](=O)[O-])c(c1)SC(F)(F)F
+CC(C)(C)c1ccc(c(Br)c1)N
+CC(C)(C)c1ccc(c(N)c1)N
+CC(C)(C)c1ccc(c(N)c1)O
+CC(C)(C)c1ccc(c(Oc2scc(C(O)=O)n2)c1)C
+CC(C)(C)c1ccc(cc1)-c2c(OCOC)c(C(=O)OCC)cs2
+CC(C)(C)c1ccc(cc1)-c2oc3c(cccc3N4CCNCC4)n2
+CC(C)(C)c1ccc(cc1)B(O)O
+CC(C)(C)c1ccc(cc1)C
+CC(C)(C)c1ccc(cc1)C(=O)Cl
+CC(C)(C)c1ccc(cc1)C=2N(C)N(C(=O)C=2C(OCC)=O)c3ccc(cc3)C#N
+CC(C)(C)c1ccc(cc1)C=O
+CC(C)(C)c1ccc(cc1)CBr
+CC(C)(C)c1ccc(cc1)CC#N
+CC(C)(C)c1ccc(cc1)CCl
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(C)C(CCCc3ccc(c(c3)C)O)C2
+CC(C)(C)c1ccc(cc1)N
+CC(C)(C)c1ccc(cc1)N=C=O
+CC(C)(C)c1ccc(cc1)O
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Cl
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N
+CC(C)(C)c1ccc(cc1)[Mg]Br
+CC(C)(C)c1ccc(cc1NC(=O)CC2c3ccccc3Oc4ccccc24)CCC(OCC)=O
+CC(C)(C)c1ccc2C(O)CCOc2c1
+CC(C)(C)c1cccc(C(=O)C)c1OCc2ccccc2
+CC(C)(C)c1cccc(C(C)(C)C)c1
+CC(C)(C)c1cccc(C(C)(C)C)c1O
+CC(C)(C)c1cccc(CN2C(=O)OC3C2CS(=O)(=O)CC3Cc4cc(c(c(c4)F)N)CC)c1
+CC(C)(C)c1ccccc1O
+CC(C)(C)c1ccncc1
+CC(C)(C)c1nc(-c2cc3c(ccc(c3)C=CC(=O)OCC)o2)sc1
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)C=O)sc1
+CC(C)(C)c1nc(C2CC2)cc(O)n1
+CC(C)(C)c1nc(cc(O)n1)C2CCC2
+CC(C)(C)c1nc(ccc1)N
+CC(C)(C)c1nccc(c1)-c2scc(Br)c2
+CC(C)(C)c1nn(-c2cc(ccc2)Cl)c(CN)c1
+CC(C)(C)c1nn(-c2ccc(cc2)C)c(c1)NC(NCc3c(O)ccc(F)c3)=O
+CC(C)(C)c1nn(-c2ccccc2)c(c1)N
+CC(C)(C)c1nn(c(C(O)=O)c1)C
+CC(C)(C)c1nn(c(C(OCC)=O)c1Cl)C
+CC(C)(C)c1oc(cc1)C=C
+CC(C)(C)c1oc(nn1)-c2nc(-c3[nH]c(nn3)C4CCN(CC4)C(=O)OC(C)(C)C)cnc2N
+CC(C)(C)c1sc(C=O)cc1
+CC(C)(C)c1sc(N)nn1
+CC(C)(C)c1sc(cc1)S(=O)(=O)Cl
+CC(C)(C)c1sc2cc([N+](=O)[O-])c(Cl)cc2n1
+CC(C)(C)n1c2c(cc1)cnc(N)n2
+CC(C)(C)n1cc(C(OCC)=O)c(Cl)n1
+CC(C)(C)n1ncc(C(=O)OCC)c1Cl
+CC(C)(C)n1ncc(c1Br)C(OCC)=O
+CC(C)(C1=C(C(C(C)=C(C1=O)C)=O)C)CC(O)=O
+CC(C)(CC(=O)OC)NC(OCc1ccccc1)=O
+CC(C)(CC(O)=O)O
+CC(C)(CC)C(=O)C(N1CCCC1C(OC)=O)=O
+CC(C)(CC)CC(CN)O
+CC(C)(CC)CCBr
+CC(C)(CC)N
+CC(C)(CC1COC(=O)N1)O
+CC(C)(CCCC(C)CC=CC(=CC(OCC)=O)C)OC
+CC(C)(CCCC)Cl
+CC(C)(CCCCCC)C(O)=O
+CC(C)(CCCCCl)O
+CC(C)(CCCN)CO
+CC(C)(CCCc1cccc(Br)c1)O
+CC(C)(CCCl)CO
+CC(C)(CCN)O
+CC(C)(CCN1c2ccccc2NC1=O)O
+CC(C)(CCO)C(=O)O
+CC(C)(CCl)O
+CC(C)(CF)N
+CC(C)(CN(C)c1cccc(Br)n1)O
+CC(C)(CN)CN
+CC(C)(CN)O
+CC(C)(CN1C(=C(C(=O)N1c2ccccc2)C(=O)OCc3ccccc3)C)O
+CC(C)(CN1C(c2ccc(cc2C(C=O)=C1)Br)=O)CO
+CC(C)(CN1c2c(cc(Cl)cc2)C(OC(C1=O)CC(=O)O)c3c(OC)c(ccc3)OC)COC(=O)C
+CC(C)(CNC(C)Cc1c[nH]c2ccccc12)F
+CC(C)(CNc1c2c(ncc1NC(=O)COCC)cc(Br)cn2)O
+CC(C)(CO)CC=C
+CC(C)(CO)CN
+CC(C)(CO)CO
+CC(C)(COC1CCCCO1)CCCCBr
+CC(C)(COC1CCOC1)C(OC)=O
+CC(C)(Cl)C#C
+CC(C)(Cl)CCC(C)(C)Cl
+CC(C)(Cn1c(nc2c1c3c(cccc3)nc2)CCl)O
+CC(C)(Cn1c2c(cnc3c2nccc3)nc1CCl)O
+CC(C)(Cn1c2c(cnc3cccnc23)nc1CO)F
+CC(C)(Cn1c2c3c(ncc2nc1CO)cc(OCc4ccccc4)cc3)O
+CC(C)(F)C(O)=O
+CC(C)(N)C#N
+CC(C)(N)C(O)=O
+CC(C)(N)CC(=O)OCC
+CC(C)(N)CCF
+CC(C)(N)CN
+CC(C)(N)CO
+CC(C)(N)COC
+CC(C)(N)Cc1c[nH]c2ccccc12
+CC(C)(N)c1ccc2occc2c1
+CC(C)(NC)CC(=O)OCC
+CC(C)(O)C#CC(OCC)=O
+CC(C)(O)C(O)=O
+CC(C)(O)C1C(C)NCC1
+CC(C)(O)c1c2ncc(-c3ccnc(n3)SC)n2ccc1
+CC(C)(O)c1cc(F)c(c(F)c1)-c2sc(c(c2)C(=O)N)N
+CC(C)(O)c1cc(cnc1)C(=O)OC
+CC(C)(O)c1cc2c(c3c([nH]2)c(cc(C#N)c3Br)C(=O)N)cc1
+CC(C)(O)c1ccc2c([nH]c3c(C(N)=O)ccc(Br)c23)c1
+CC(C)(O)c1ccc2c3c(c(cc(Cl)c3Br)C(N)=O)[nH]c2c1
+CC(C)(OC(=O)c1c(Cl)ccc(N)c1)C(OCC)=O
+CC(C)(Oc1cc(ccc1)C(=O)O)C(OCC)=O
+CC(C)(Oc1ccc(cc1C)O)C(OCC)=O
+CC(C)(Oc1cccc(O)c1)C(OCC)=O
+CC(C)([N+]([O-])=O)Cc1c2cccc(OCc3ccccc3)c2[nH]c1
+CC(C)(c1c(Br)cc(cc1)C)OCOCC
+CC(C)(c1c(cccc1)Br)C#N
+CC(C)(c1cc(C(=O)OC)ccc1)C#N
+CC(C)(c1cc(c(cc1)Cl)Cl)C=2N(c3ccc(cc3)F)C(NC=2)=S
+CC(C)(c1cc2c(OCc3ncccc3C2=CCCBr)cc1)O
+CC(C)(c1cc2ccccc2[nH]1)C(=O)OCC
+CC(C)(c1ccc(F)c(OC)c1)C(=O)OC
+CC(C)(c1ccc(cc1)C=O)CC
+CC(C)(c1ccc(cc1)Cl)C=C(F)CO
+CC(C)(c1ccc(cc1)[N+](=O)[O-])COCCOC
+CC(C)(c1ccccc1)C(N)CO
+CC(C)(c1ccccn1)N
+CC(C)(c1nc(CO)ccc1)O
+CC(C)(c1nc2cc(cc(C)n2c1CC3CCC(CC3)(F)F)C#N)O
+CC(C)(c1nnc(C2CC2)o1)c3cncc(Br)c3
+CC(C)(c1sccc1)C(NN)=O
+CC(C)=C
+CC(C)=CC(=O)Cl
+CC(C)=CC(=O)O
+CC(C)=CCBr
+CC(C)=CCC(C(C)O)C(=O)OC
+CC(C)=CCCC(=CCCC(=CCCC(=CCSCCN)C)C)C
+CC(C)=CCCC(C)=CCCC(=CCCC(OC)=O)C
+CC(C)=CCCC(CC=CC(=CC(=O)OC)C)C
+CC(C)=CCCC=1CCC(CC=1)CC(O)=O
+CC(C)=CCOCCCCO
+CC(C)=CCOc1cc(O)c(C(=O)C)cc1
+CC(C)=CCn1c(nc2c1C(=O)NC(=O)N2C)Cl
+CC(C)=NO
+CC(C)=O
+CC(C)Br
+CC(C)C#C
+CC(C)C#CC(=O)OCc1ccccc1
+CC(C)C#N
+CC(C)C(=N)N
+CC(C)C(=N)NO
+CC(C)C(=O)C
+CC(C)C(=O)C(C(C(C)C)=O)CC(OC(C)(C)C)=O
+CC(C)C(=O)CC(OC)=O
+CC(C)C(=O)NN
+CC(C)C(=O)O
+CC(C)C(=O)OCC
+CC(C)C(=O)c1ccc(cc1)CBr
+CC(C)C(C(=O)O)C(=O)O
+CC(C)C(C(=O)O)N(C(=O)OCc1ccccc1)C
+CC(C)C(C(=O)OC)NS(=O)(=O)c1ccc(cc1)Br
+CC(C)C(C(OC)=O)N1Cc2c(ccc(c2)-c3ccc(cc3)[N+]([O-])=O)C1=O
+CC(C)C(CC(Nc1cc(Cl)c(cc1)C#N)=O)C[N+]([O-])=O
+CC(C)C(CNc1c(c(C(C)C)ccc1)O)Br
+CC(C)C(CO)N
+CC(C)C(CO)NC
+CC(C)C(Cl)=O
+CC(C)C(Cl)OC(Cl)=O
+CC(C)C(N)=S
+CC(C)C(N)C(=O)O
+CC(C)C(N)C(=O)OC
+CC(C)C(NC(=O)OC)C(=O)N1C(CCC1C(=O)OCC)C
+CC(C)C(NCc1cc(NN)c(Cl)cc1)=O
+CC(C)C(O)CN
+CC(C)C(OC)=O
+CC(C)C1=CCC(C)(C)c2c1cc(C(C)=C(F)C(=O)OCC)c(OC(C)C)c2Br
+CC(C)C1=Nc2cc([N+]([O-])=O)ccc2C(=O)N1c3ccc(cc3)Cl
+CC(C)C1C(C(O)=O)CC(C)CC1
+CC(C)C1C(N(CC(=O)OCC)C(c2ccccc2)=CN1C(C)=O)=O
+CC(C)C1COC(=O)N1c2ccnc(F)n2
+CC(C)C1NC(C(C)(C)NC1)=O
+CC(C)C1NCCNC1
+CC(C)C=1C(=O)NC(NC=1C(c2cc(C#N)cc(C)c2)=O)=O
+CC(C)C=1C(=O)n2c(ccn2)NC=1C
+CC(C)C=1OC(C=C(O)C=1)=O
+CC(C)C=1Oc2c(ccc(c2[N+]([O-])=O)NCc3ccc(cc3)OC)C(C=1Br)=O
+CC(C)C=O
+CC(C)CBr
+CC(C)CC(=O)CN
+CC(C)CC(=O)Cl
+CC(C)CC(=O)c1ncc(C(OC)=O)cc1
+CC(C)CC(=S)N
+CC(C)CC(C(=O)OC)Nc1c(c2c(C(=O)N(Cc3ccc(OC)cc3OC)C2)c(Cl)n1)F
+CC(C)CC(C(C(OC)=O)O)C(=O)O
+CC(C)CC(C(O)=O)Br
+CC(C)CC(C(O)=O)CSC(=O)C
+CC(C)CC(C(O)=O)N
+CC(C)CC(C(O)=O)NC(c1cc2ccccc2s1)=O
+CC(C)CC(C(O)CC(=O)OC)N
+CC(C)CC(C(OC)=O)CC(=O)O
+CC(C)CC(C)=O
+CC(C)CC(C=O)NC(OCc1ccccc1)=O
+CC(C)CC(CO)N
+CC(C)CC(N)C(=O)N
+CC(C)CC(N)C(OC)=O
+CC(C)CC(N1c2c(cc(cc2)I)C(C(C(=O)OCC)=C1)=O)CO
+CC(C)CC(NC(=O)C(CP(=O)(OCC)CN)CC(C)C)C(NC)=O
+CC(C)CC(O)=O
+CC(C)CC(c1cc(O)ccc1N)=O
+CC(C)CC=O
+CC(C)CCBr
+CC(C)CCCC(CCO)C
+CC(C)CCI
+CC(C)CCN
+CC(C)CCN1C(=O)C(=C(c2cc(cn12)F)O)C(OCC)=O
+CC(C)CCN1C(=O)C(=C(c2ccccc12)O)C#N
+CC(C)CCN1C(C(=C(O)c2n1cc(C#N)c2)C(OCC)=O)=O
+CC(C)CCNC(=S)N
+CC(C)CCNCCC(C)C
+CC(C)CCO
+CC(C)CCON=O
+CC(C)CCS
+CC(C)CCS(=O)(=O)N
+CC(C)CC[Zn+]
+CC(C)CCn1c(nc2cc(C#N)ccc12)CCl
+CC(C)CCn1c2c(nc1CN3c4ccccc4N(C3=O)C(C)C)c(ccc2)C(=O)OC
+CC(C)CI
+CC(C)CN
+CC(C)CN1C(=C(c2c(ccc(-c3sc(c(C)n3)C(OCC)=O)c2)C1=O)OCCCC)CNC(OCC4c5ccccc5-c6ccccc46)=O
+CC(C)CN=C=O
+CC(C)CNC
+CC(C)CNC(NCC(C)C)=O
+CC(C)CNCC(C)C
+CC(C)CNN
+CC(C)CO
+CC(C)COC(Cl)=O
+CC(C)COc1c(-c2c(F)ccc(OC)c2)nc(OC)c(C(=O)OC)c1
+CC(C)COc1c(Br)ccc(C(=O)OC)n1
+CC(C)COc1c(cc(C(Nc2cccc(OC)c2)=O)cc1)C#N
+CC(C)COc1c(cc(O)cn1)Cl
+CC(C)COc1c(cccc1)C(N)=N
+CC(C)CS
+CC(C)CS(=O)(=O)c1nc(C(O)=O)ccc1C2CC2
+CC(C)C[Mg]Br
+CC(C)C[Zn+]
+CC(C)Cc1c(OC)cc2OCc3c(n(nc3C(OCC)=O)-c4ccsc4)-c2c1
+CC(C)Cc1cccc2c1cccn2
+CC(C)Cc1ccccc1N
+CC(C)Cn1c2c(nc1CCl)c(N)nc3c2cccc3
+CC(C)I
+CC(C)N
+CC(C)N(C(C)C)P(OCC=C)OCC=C
+CC(C)N(c1ncccn1)c2ccc(cc2)I
+CC(C)N1C(=O)C=CC(=N1)c2nc(c(nc2-c3ccccc3)N)C(=O)N
+CC(C)N1C(=O)c2c(C1=O)cc(N)c(c2)[N+]([O-])=O
+CC(C)N1C(C(=Cc2c(C)cccc12)C(OCC)=O)=O
+CC(C)N1C(N(C(=O)C1)c2c(F)cc(OC)cc2)=O
+CC(C)N1C=C(c2c[n+](c(N)c(n2)C(N)=O)[O-])C=CC1=O
+CC(C)N1CC(CO)OC1=O
+CC(C)N1CCC(CC1)O
+CC(C)N1CCC(CC1)Oc2c(Cl)cc3[nH]c(C(O)=O)cc3c2
+CC(C)N1CCNCC1
+CC(C)N1c2c(C(=O)C1=O)cccc2
+CC(C)N1c2c(F)cc(cc2OC1=O)[N+]([O-])=O
+CC(C)N1c2c(cnc(SC)n2)C=C(C1=O)Br
+CC(C)N1c2ccccc2NC1=O
+CC(C)N=C=O
+CC(C)N=C=S
+CC(C)NC
+CC(C)NC(=O)CN
+CC(C)NC(=O)Cn1cc(Nc2nc(ccn2)O)cn1
+CC(C)NC(=O)c1c(Nc2c(F)cnc(n2)Cl)cccc1
+CC(C)NC(C)C
+CC(C)NC(c1c(c(c(F)cc1)Br)F)=O
+CC(C)NCCO
+CC(C)NCCc1ccc(c(OC)c1)OC
+CC(C)NN
+CC(C)Nc1c(cnc(Cl)c1)C(NN)=O
+CC(C)O
+CC(C)OB(OC(C)C)OC(C)C
+CC(C)OC(=N)Cc1c2c(cccc2)n(c1)C
+CC(C)OC(=O)C(N)C
+CC(C)OC(=O)COc1cccc(C=O)c1
+CC(C)OC(=O)NC1CC(N(C(=O)C)c2ccc(Br)cc12)C
+CC(C)OC(=O)c1cc2cc(CCCC)cn2cc1
+CC(C)OC(=O)c1ccc2c(c1)ncn2-c3cc(Br)ccc3
+CC(C)OC(C(=CN(C)C)C(C)=O)=O
+CC(C)OC(CBr)=O
+CC(C)OC(Cl)=O
+CC(C)OC(c1cnc(c(c1)Cl)OC(C)C)=O
+CC(C)OC1CC=C(CC1)c2onc(c2C)C(=O)OCC
+CC(C)OCCCN
+CC(C)ON
+CC(C)OS(=O)(=O)C
+CC(C)Oc1c(C#N)cc(-c2sc(cn2)-c3cccc(C=CC(=O)OCC)c3CC)cc1
+CC(C)Oc1c(C#N)cc(C(O)=O)cc1
+CC(C)Oc1c(C)c(C(=O)O)c(OCc2ccccc2)cn1
+CC(C)Oc1c(Cl)cc(B(O)O)cc1
+CC(C)Oc1c(Cl)cc(O)cn1
+CC(C)Oc1c(I)cc(cc1)C#N
+CC(C)Oc1c(c2C(NCCc2cn1)=O)Cl
+CC(C)Oc1cc(C(=O)OC)ccc1Br
+CC(C)Oc1cc(c(F)cc1Cl)NC(N)=O
+CC(C)Oc1cc(ccc1)C(=O)CBr
+CC(C)Oc1ccc(-c2nc(-c3c4c(cc[nH]4)ccc3)no2)cc1Cl
+CC(C)Oc1ccc(C(=O)O)cc1Cl
+CC(C)Oc1ccc(Cl)cc1Cl
+CC(C)Oc1ccc(nc1)COC(C)=O
+CC(C)Oc1ccccc1-c2c(OC)cccc2C(=O)O
+CC(C)Oc1ccccc1B(O)O
+CC(C)Oc1ccccc1O
+CC(C)Oc1nn(c(CO)c1)Cc2c(cc(cc2)Cl)Cl
+CC(C)S
+CC(C)S(=O)(=O)N
+CC(C)S(=O)(=O)c1c(C2OCCCO2)ccc(c1)C#N
+CC(C)S(=O)(=O)c1c(cccc1)N
+CC(C)S(=O)(=O)c1cccc(c1)F
+CC(C)SC(C)(C)C(C(=O)O)N
+CC(C)SCCCCCCCCCCCC(O)=O
+CC(C)[Mg]Br
+CC(C)[Mg]Cl
+CC(C)[SiH](C(C)C)Cl
+CC(C)[Si](C(C)C)(C(C)C)Cl
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)O
+CC(C)[Si](C(C)C)(C(C)C)OCc1c(oc(C(OC)=O)c1)C
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)C(C(=O)O)CNC(=O)OC(C)(C)C
+CC(C)[Si](C(C)C)(C(C)C)OS(=O)(=O)C(F)(F)F
+CC(C)[Si](C(C)C)(C(C)C)c1oc(B2OC(C)(C)C(C)(C)O2)cn1
+CC(C)[Si](C(C)C)(C(C)C)n1c2c(c(Nc3ccccc3)ccc2)cc1
+CC(C)[Si](C(C)C)(C(C)C)n1c2c(cc1)c(Cl)c(cn2)Br
+CC(C)[Si](C(C)C)(C(C)C)n1c2c(cc1)c(c(Br)cn2)F
+CC(C)[Si](C(C)C)(C(C)C)n1ccc2c1ncc(Cl)c2F
+CC(C)c1[nH]c2c(ccc(C(OCC)=O)c2)c1C=O
+CC(C)c1[nH]c2c(n1)cccc2
+CC(C)c1c(C(=O)OCC)cccn1
+CC(C)c1c(C(OC)=O)c(no1)CSc2c(cccc2Cl)Cl
+CC(C)c1c(C(OC)=O)nn(-c2ccc(cc2)F)c1C(OCc3ccccc3)=O
+CC(C)c1c(C)cc(cc1)N
+CC(C)c1c(C=CCCC)c(c(c(n1)C(C)C)CO)-c2ccc(cc2)SC
+CC(C)c1c(Cl)nnc(Cl)c1
+CC(C)c1c(O)c(C(=O)O)cc(c1)C(C)C
+CC(C)c1c(O)cccc1
+CC(C)c1c(O)ncc([N+](=O)[O-])c1
+CC(C)c1c(c[nH]c1)C(=O)OC
+CC(C)c1c(cc(-c2ccnc(C=Cc3ccccc3)c2)[nH]1)C(OCC)=O
+CC(C)c1c(cc(OC)c(OC)c1)Cc2c(Cl)nc(nc2)SC
+CC(C)c1c(ccc(c1)[I+]c2ccc(OC)c(C(C)C)c2)OC
+CC(C)c1c(cn[nH]1)C(OCC)=O
+CC(C)c1c(cnc(Cl)c1)C(=O)O
+CC(C)c1c2cc(Br)cc(C#N)c2[nH]c1
+CC(C)c1c[nH]c(C(OC)=O)c1
+CC(C)c1cc(C#N)ccc1
+CC(C)c1cc(C(=O)OCC)c(N)s1
+CC(C)c1cc(CC(O)=O)c(C)cc1OC
+CC(C)c1cc(I)c(OC)cc1F
+CC(C)c1cc(O)c(cc1)C
+CC(C)c1cc(OCC(=O)OCC)c(CCN)cc1
+CC(C)c1cc(cc(C(C)C)c1OC)C(O)=O
+CC(C)c1cc(ccc1)O
+CC(C)c1cc(ccc1O)C#N
+CC(C)c1cc(ccc1Oc2c(N)nc(N)nc2)OC
+CC(C)c1cc(nc(Cl)n1)Cl
+CC(C)c1ccc(C(=O)O)cn1
+CC(C)c1ccc(C(O)=O)c(O)n1
+CC(C)c1ccc(C(OC)=O)[nH]1
+CC(C)c1ccc(CC#N)c([N+]([O-])=O)c1
+CC(C)c1ccc(c(OC)n1)B(O)O
+CC(C)c1ccc(cc1)-c2c(cccc2C)C(=O)O
+CC(C)c1ccc(cc1)C(Cl)=O
+CC(C)c1ccc(cc1)C(c2c(O)c(C)c(C)cc2C)CO
+CC(C)c1ccc(cc1)I
+CC(C)c1cccc(C(C)C)c1-n2ccnc2-c3cccc(Br)c3
+CC(C)c1cccc(C(C)C)c1NC(C)(C)c2cccc(n2)Br
+CC(C)c1cccc(N)c1
+CC(C)c1cccc(c1N)C
+CC(C)c1ccccc1N
+CC(C)c1csc2c1c(Cl)ncn2
+CC(C)c1n(Cc2ccccn2)c3c(c1C(=O)O)ccc(OC)c3
+CC(C)c1n(Cc2occn2)c3cc(ccc3c1C=O)C(OCC)=O
+CC(C)c1n2cc(Sc3c(CO)cccc3)ccc2nn1
+CC(C)c1nc(C2CCNCC2)on1
+CC(C)c1nc(c(-c2c(C)cc(Br)cn2)cc1)OC
+CC(C)c1nc(cs1)CCl
+CC(C)c1nnc2ccc(cn12)OC3CCC(c4c3cccc4)N
+CC(C)n1c(N)ccn1
+CC(C)n1c(ncc1-c2ccnc(O)n2)C
+CC(C)n1c2c(c(C)n1)c(c(C(OCC)=O)c(-c3cc(O)ccc3)n2)Cl
+CC(C)n1c2c(cc(cc2)I)cn1
+CC(C)n1c2c(ccc(c2)C(=O)OC)cc1
+CC(C)n1c2c(cncc2)c(n1)C(=O)c3cc(Br)ncc3
+CC(C)n1c2cc(Br)cc(C(=O)OC)c2c(C=O)c1
+CC(C)n1c2nc(cc(c2cn1)C(=O)O)O
+CC(C)n1c2ncnc(c2c(I)c1)Cl
+CC(C)n1cc(-c2c(ncc(-c3ccc(C(O)=O)c(C)c3)c2)N)nn1
+CC(C)n1cnc(-c2sc3c(Cl)ccnc3c2)c1
+CC(C)n1cncc1C(=O)C=CN(C)C
+CC(C)n1nc(C)cc1N
+CC(C)n1nc(I)c(-c2ccnc(O)n2)c1
+CC(C)n1nc(c2c1cccc2)C(OC)=O
+CC(CC(OC)=O)CC(=O)O
+CC(CCC(C)=O)=O
+CC(CCCCCC(=O)O)C#N
+CC(CCCc1cc2c(cccc2)cc1)=O
+CC(Nc1c2OCOc2c(cc1)C(OC)=O)=O
+CC(O)C(Oc1nc(Cl)ncc1Br)C
+CC(O)c1ccccc1C
+CC(O)c1ccccc1Cl
+CC(OC1CCC2C1(CCC3C4(CCC(CC4=CCC23)OC(=O)C)C)C)=O
+CC(c1cc(Cl)c(cc1)C#N)C(OC)=O
+CC(c1cc(cc(c1)C(=O)O)[N+]([O-])=O)=O
+CC(c1ccc(F)c(F)c1)=O
+CC(c1cccc(C#N)c1)=O
+CC1(C(c2c(cccc2)C1)=O)C(OC)=O
+CC1(C)C(=O)N(C(=O)N1I)I
+CC1(C)C(=O)N(c2c1cc(N)c([N+](=O)[O-])c2)CCCCC
+CC1(C)C(=O)N2CC(CCC2C1)C(=O)OC
+CC1(C)C(=O)NOC1
+CC1(C)C(C(OCC)=O)CC1N
+CC1(C)C(C)(C)OB(O1)B2OC(C)(C)C(C)(C)O2
+CC1(C)C(C)(C)OB(O1)C2=CC(C)(C)CC(C)(C)C2
+CC1(C)C(C)(C)OB(O1)C=2CCC(C)(C)CC=2
+CC1(C)C(C)(C)OB(O1)C=2CCCCC=2
+CC1(C)C(C)(C)OB(O1)C=CCOC
+CC1(C)C(C)(C)OB(O1)OC
+CC1(C)C(C)(C)OB(O1)OC(C)C
+CC1(C)C(C)(C)OB(O1)c2c(C)ccs2
+CC1(C)C(C)(C)OB(O1)c2c(Cl)cc3c(c2)CC(N3)=O
+CC1(C)C(C)(C)OB(O1)c2c(F)cc(cc2F)N3CCOCC3
+CC1(C)C(C)(C)OB(O1)c2c(OCCOC)cncc2
+CC1(C)C(C)(C)OB(O1)c2c(cc(CO[Si](C)(C)C(C)(C)C)cc2)NC(=O)OC(C)(C)C
+CC1(C)C(C)(C)OB(O1)c2c3CCC(Oc4ccc5c(c4)OCC5CC(OC)=O)c3c(cc2)F
+CC1(C)C(C)(C)OB(O1)c2c3c([nH]nc3)ccc2
+CC1(C)C(C)(C)OB(O1)c2cc(-c3cn(nc3)C)ccc2
+CC1(C)C(C)(C)OB(O1)c2cc(-c3sc4ccccc4n3)ccc2
+CC1(C)C(C)(C)OB(O1)c2cc(C#N)c(N)nc2
+CC1(C)C(C)(C)OB(O1)c2cc(C)cc(N)c2
+CC1(C)C(C)(C)OB(O1)c2cc(C=O)sc2
+CC1(C)C(C)(C)OB(O1)c2cc(S(=O)(=O)C=C)ccc2
+CC1(C)C(C)(C)OB(O1)c2cc([N+](=O)[O-])c(cc2)NC
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)[N+](=O)[O-])NC(=O)OC(C)(C)C
+CC1(C)C(C)(C)OB(O1)c2cc(c(nc2)N)OC(F)F
+CC1(C)C(C)(C)OB(O1)c2cc(cc(Oc3ccc(cc3)S(=O)(=O)C)c2)OC(COC)C
+CC1(C)C(C)(C)OB(O1)c2cc(cc(c2)C#N)Nc3nc(C(F)(F)F)ccn3
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2)C(OC)=O
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2)CC#N
+CC1(C)C(C)(C)OB(O1)c2cc(cnc2)C#N
+CC1(C)C(C)(C)OB(O1)c2cc(cnc2)C=O
+CC1(C)C(C)(C)OB(O1)c2cc(cnc2)OC
+CC1(C)C(C)(C)OB(O1)c2cc(ncc2)C
+CC1(C)C(C)(C)OB(O1)c2cc3C(=O)NC(c3[nH]2)C
+CC1(C)C(C)(C)OB(O1)c2cc3N(C)CCc3cc2F
+CC1(C)C(C)(C)OB(O1)c2cc3c(CCN3C)cc2
+CC1(C)C(C)(C)OB(O1)c2cc3c(c(oc3cc2N(S(=O)(=O)C)C)-c4ccc(cc4)F)C(=O)NC
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)C(=O)NC3
+CC1(C)C(C)(C)OB(O1)c2ccc(C(F)(F)F)cc2C=O
+CC1(C)C(C)(C)OB(O1)c2ccc(F)c(CO)c2
+CC1(C)C(C)(C)OB(O1)c2ccc(N)cc2F
+CC1(C)C(C)(C)OB(O1)c2ccc(OCCC3CCN(CC3)C(=O)OC(C)(C)C)c(C(F)(F)F)c2
+CC1(C)C(C)(C)OB(O1)c2ccc(OCCCOC3CCCCO3)c(c2)C(F)(F)F
+CC1(C)C(C)(C)OB(O1)c2ccc(OCc3cnccc3)c(C(F)(F)F)c2
+CC1(C)C(C)(C)OB(O1)c2ccc(c(C(F)(F)F)c2)OCOCCOC
+CC1(C)C(C)(C)OB(O1)c2ccc(c(C(OC(C)(C)C)=O)c2)F
+CC1(C)C(C)(C)OB(O1)c2ccc(c(OC3CCC3)c2)OC
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)N
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)S(=O)(=O)Nc3c(F)cc(c(F)c3)C(OC)=O
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2C)O
+CC1(C)C(C)(C)OB(O1)c2ccc(nc2)N
+CC1(C)C(C)(C)OB(O1)c2ccc(o2)C
+CC1(C)C(C)(C)OB(O1)c2ccc3ccc(-c4ccccc4)nc3c2
+CC1(C)C(C)(C)OB(O1)c2ccc3nc(ncc3c2)NC
+CC1(C)C(C)(C)OB(O1)c2cccc(NC(=O)NCC(F)(F)F)c2
+CC1(C)C(C)(C)OB(O1)c2cccc(c2)C(=O)OCC
+CC1(C)C(C)(C)OB(O1)c2cccc3n(S(=O)(=O)c4ccc(cc4)C)cc(C)c23
+CC1(C)C(C)(C)OB(O1)c2ccnc(c2COC(C)=O)N3CCn4c5c(CCCC5)cc4C3=O
+CC1(C)C(C)(C)OB(O1)c2ccncc2
+CC1(C)C(C)(C)OB(O1)c2ccnn2C3CCCCO3
+CC1(C)C(C)(C)OB(O1)c2cn(nc2)C3CCN(CC3)C(=O)OC(C)(C)C
+CC1(C)C(C)(C)OB(O1)c2cn(nc2)CC
+CC1(C)C(C)(C)OB(O1)c2cnc(C3CC3)cc2
+CC1(C)C(C)(C)OB(O1)c2cnc(OC)c(OC)c2
+CC1(C)C(C)(C)OB(O1)c2cnc(c(C#N)c2)OC
+CC1(C)C(C)(C)OB(O1)c2cnc(c(C(F)(F)F)c2)N
+CC1(C)C(C)(C)OB(O1)c2cnc(c(NC(=O)OCc3ccccc3)c2)OC
+CC1(C)C(C)(C)OB(O1)c2cnc(nc2)CC
+CC1(C)C(C)(C)OB(O1)c2cnc(nc2)N
+CC1(C)C(C)(C)OB(O1)c2cncc(C(OCC)=O)c2
+CC1(C)C(C)(C)OB(O1)c2cncc(N)c2
+CC1(C)C(C)(C)OB(O1)c2cnn(C)c2
+CC1(C)C(C)(C)OB(O1)c2cnn(C3CC3)c2
+CC1(C)C(C)(C)OB(O1)c2cnn3c2CCCC3
+CC1(C)C(C)(C)OB(O1)c2n(C)ncc2
+CC1(C)C(C)(C)OB(O1)c2sc(nc2)N(C(OC(C)(C)C)=O)C(C)C
+CC1(C)C(C)(C)OBO1
+CC1(C)C(C)(CCC1C(=O)O)C#N
+CC1(C)C(C)=Nc2c1cccc2
+CC1(C)C(C=C(Cl)Cl)C1C(Cl)=O
+CC1(C)C(CC(C)(C)c2c1cc(c(C=Cc3cc(C)c(cc3)C(=O)O)c2)C)O
+CC1(C)C(CCC2(C3=C(CCC12)C4=CCC(C(C)CCC(=O)OC)C4(C)CC3)C)O
+CC1(C)C(N(C(=O)N1Br)Br)=O
+CC1(C)C(N(C)c2c(N(CC)C1=O)ccc(OC)c2)=O
+CC1(C)C(N(CCS1)S(=O)(=O)c2ccc(cc2)O)C(=O)OC
+CC1(C)C(N(c2cc(NC(C)=O)c([N+](=O)[O-])cc12)CC)=O
+CC1(C)C(Nc2c(C1O)cc(cc2)C(=O)OC)c3ccc(cc3)[N+]([O-])=O
+CC1(C)C(Nc2c(ccc(Br)c2C(OC)=O)N1)=O
+CC1(C)C(Nc2ccc(C(=O)OCC)cc2C1O)c3cc(ccc3)[N+](=O)[O-]
+CC1(C)C(O)CCC(Nc2nc(ncc2C#N)S(=O)(=O)C)C1
+CC1(C)C(OC(=O)C1)=O
+CC1(C)C(c2c(C)c(cc(c2SC1)C)C(C)=O)=O
+CC1(C)C(c2cc(ccc2)[N+](=O)[O-])Nc3c(C(OC)=O)cc(cc3C1O)Cl
+CC1(C)C(c2ccc(cc2)Cl)(O1)OC
+CC1(C)C2C(C(=O)C1(CC2)C)C(Cl)=O
+CC1(C)C2C(CCC1O)(C)C3C(CC2)(C4(CCC5(C(=O)O)C(C4CC3)C(C(C)=C)CC5)C)C
+CC1(C)C2CC(C(=O)O)C(C)C1C2
+CC1(C)C2CC(C1(CC2)C)C(Cl)=O
+CC1(C)C=CC(CC1)=O
+CC1(C)CC(=O)Nc2c1cccc2CC
+CC1(C)CC(C)CN1
+CC1(C)CC(CC(C)(C)C1)=O
+CC1(C)CC(CC(C)(C)N1)=O
+CC1(C)CC(CC(C)(C)N1)N
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(-c3ccc(cc3OC)OS(=O)(=O)C(F)(F)F)nn2
+CC1(C)CC(CC(C)(C)N1)NC
+CC1(C)CC(CC(C)(C)N1)Nc2nc(Cl)ccn2
+CC1(C)CC(CC(C)(C)N1C)N
+CC1(C)CC(CC(C)(C)O1)C#N
+CC1(C)CC(CC(O)=O)C(C)(C)c2cc(C)ccc12
+CC1(C)CC(CCC1C(OC)=O)(c2sc(cn2)Br)O
+CC1(C)CC(N2CCN(C(=O)Cl)C2=O)CCO1
+CC1(C)CC(Nc2c1cc(cc2)Cl)c3cccc([N+]([O-])=O)c3
+CC1(C)CC(Nc2c1cccc2)=O
+CC1(C)CC(c2c(ccc(c2)Br)C1)=O
+CC1(C)CC1C(O)=O
+CC1(C)CC2(CC2)Oc3c(cc(Br)cc13)C=C
+CC1(C)CC2(OCCO2)CC(C)(C)N1
+CC1(C)CC2CC(CN2)(C1)C
+CC1(C)CC=C(c2c([N+](=O)[O-])cc(cc2)OC)CC1
+CC1(C)CCC(B(O)O)=CC1
+CC1(C)CCC(C)(C)C1=COC
+CC1(C)CCC(C)(C)C1=O
+CC1(C)CCC(CC1=O)=O
+CC1(C)CCC(Nc2cc(Br)ccc12)=O
+CC1(C)CCC(c2c1cc(cc2)C)=O
+CC1(C)CCCC(C)(C)N1
+CC1(C)CCCNC1
+CC1(C)CCCc2c1cc(Br)cc2OC
+CC1(C)CCc2c(C1)c3c(oc4c3ncnc4Cl)nc2OC
+CC1(C)CCc2c1cc(cc2)OC
+CC1(C)CN(C(c2cc(F)c(N)cc2)=O)CCN1
+CC1(C)CN(Cc2cnccc2)C(C)CN1
+CC1(C)CNC(C1)C(O)=O
+CC1(C)CNc2ccc(Br)cc12
+CC1(C)CO1
+CC1(C)COC(CO1)CN=[N+]=[N-]
+CC1(C)Cc2[nH]nc(-c3cc4ccc(N(C(OCc5ccccc5)=O)C)cc4[nH]3)c2CC1
+CC1(C)Cc2c(C(C1)=O)cc(C)[nH]2
+CC1(C)Cc2c(C=N1)cccc2
+CC1(C)Cc2c(CC1)ncnc2O
+CC1(C)Cc2c(O1)c(C(=O)OC)cc(N)c2N
+CC1(C)Cc2c(c(C(O)=O)cc(Cl)c2)O1
+CC1(C)Cc2c(c(CC)c(C(=O)OCC)[nH]2)C(C1)=O
+CC1(C)Cc2c(c(nn2-c3ccc(c(c3)Br)C#N)CC)C(=O)C1
+CC1(C)Cc2cc(cc(OC)c2O1)C(C(C)C)O
+CC1(C)Cc2cc3C(NCCn3c2C1)=O
+CC1(C)Cc2nc(ccc2CC1)C(=O)OC
+CC1(C)Cc2sc(C(OCC)=O)cc2C1=O
+CC1(C)N(C)C(C)(C)c2c1ccc([N+]([O-])=O)c2
+CC1(C)N(c2ncc(C#N)cc2)CCNC1
+CC1(C)NC(=O)c2c([N+]([O-])=O)cccc12
+CC1(C)NCCNC1=O
+CC1(C)Nc2c(cccc2)C1
+CC1(C)Nc2ccc(-c3ccc(OCOC)cc3O)c(CO)c2C(=C1)C
+CC1(C)OB(O)c2c1cc(C)cc2
+CC1(C)OB(OC1(C)C)C(C)=C
+CC1(C)OB(OC1(C)C)C2=CCC(CC2)CC(=O)OCC
+CC1(C)OB(OC1(C)C)C2=CCCC2
+CC1(C)OB(OC1(C)C)C2=CN(C(=O)c3n(S(=O)(=O)c4ccc(cc4)C)ccc23)C
+CC1(C)OB(OC1(C)C)C2CC2
+CC1(C)OB(OC1(C)C)C=2CCN(C(=O)OC(C)(C)C)CC=2
+CC1(C)OB(OC1(C)C)C=2CCOCC=2
+CC1(C)OB(OC1(C)C)C=C
+CC1(C)OB(OC1(C)C)C=Cc2cccnc2
+CC1(C)OB(OC1(C)C)c2c(-c3scc(C(F)(F)F)n3)cc(nc2)NC(NCC)=O
+CC1(C)OB(OC1(C)C)c2c(C)ccc(N)c2
+CC1(C)OB(OC1(C)C)c2c(Cl)cc(cc2)N
+CC1(C)OB(OC1(C)C)c2c(F)ccc3n([Si](C)(C)C(C)(C)C)ccc23
+CC1(C)OB(OC1(C)C)c2c(F)cccc2F
+CC1(C)OB(OC1(C)C)c2c(N)cc(OCCOC)c(C(F)(F)F)c2
+CC1(C)OB(OC1(C)C)c2c(N)ncc(-c3cn(C4CCN(CC4)C(=O)OC(C)(C)C)nc3)c2
+CC1(C)OB(OC1(C)C)c2c(c3c(c(c2)F)OCCC3)C
+CC1(C)OB(OC1(C)C)c2c(cc3c(c(ccn3)O)c2)OC
+CC1(C)OB(OC1(C)C)c2c(ccc(NS(=O)(=O)CCC)c2F)F
+CC1(C)OB(OC1(C)C)c2c(cncc2)Cl
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+CC1(C)OB(OC1(C)C)c2c3c(n(S(=O)(=O)c4ccccc4)c2)ncc(c3)OC
+CC1(C)OB(OC1(C)C)c2c[nH]nc2
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+CC1(C)OB(OC1(C)C)c2cc(Br)cc(Nc3nc(C(F)(F)F)ccn3)c2
+CC1(C)OB(OC1(C)C)c2cc(C(=O)Nc3ccnn3CC)ccc2C
+CC1(C)OB(OC1(C)C)c2cc(C(NC3CC3)=O)ccc2C
+CC1(C)OB(OC1(C)C)c2cc(C(Nc3cc(C(OCC)=O)nn3-c4ccccc4)=O)c(Cl)cc2
+CC1(C)OB(OC1(C)C)c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2
+CC1(C)OB(OC1(C)C)c2cc(Cl)c(CC(OC)=O)cc2
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+CC1(C)OB(OC1(C)C)c2cc(F)c(C(Nc3ccccn3)=O)cc2
+CC1(C)OB(OC1(C)C)c2cc(F)cnc2
+CC1(C)OB(OC1(C)C)c2cc(N)cnc2C
+CC1(C)OB(OC1(C)C)c2cc(OC)c(NC(=O)OC(C)(C)C)cc2
+CC1(C)OB(OC1(C)C)c2cc(OCC3OCCC3)ccc2F
+CC1(C)OB(OC1(C)C)c2cc(S(=O)(=O)CC)ccc2OCC3CC3
+CC1(C)OB(OC1(C)C)c2cc([N+](=O)[O-])c(cc2)F
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)F)C#N
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)NC(=O)OC(C)(C)C)Cl
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+CC1(C)OB(OC1(C)C)c2cc(c(cc2C3CC3)OC)F
+CC1(C)OB(OC1(C)C)c2cc(c(cc2Cl)Cl)C(=O)OC
+CC1(C)OB(OC1(C)C)c2cc(cc(F)c2C)C(=O)NC3CC3
+CC1(C)OB(OC1(C)C)c2cc(ccc2C3CC3)Cl
+CC1(C)OB(OC1(C)C)c2cc(sc2)C(=O)OC
+CC1(C)OB(OC1(C)C)c2cc3C(=O)CCCc3cc2
+CC1(C)OB(OC1(C)C)c2cc3C(C)(C)CCC(C)(C)c3cc2
+CC1(C)OB(OC1(C)C)c2cc3COC(=O)c3cc2
+CC1(C)OB(OC1(C)C)c2cc3c(C(NC(C)CN3)=O)cc2
+CC1(C)OB(OC1(C)C)c2cc3c[nH]nc3cc2
+CC1(C)OB(OC1(C)C)c2cc3nn(C)cc3cc2
+CC1(C)OB(OC1(C)C)c2ccc(C#N)nc2
+CC1(C)OB(OC1(C)C)c2ccc(C(NC(OC(C)(C)C)=O)C)c(Cl)c2
+CC1(C)OB(OC1(C)C)c2ccc(C(NC)=O)nc2
+CC1(C)OB(OC1(C)C)c2ccc(C(OC)=O)nc2
+CC1(C)OB(OC1(C)C)c2ccc(Cl)c(c2)CS(=O)(=O)C(C)(C)C
+CC1(C)OB(OC1(C)C)c2ccc(N)c(c2)OC
+CC1(C)OB(OC1(C)C)c2ccc(O)nc2
+CC1(C)OB(OC1(C)C)c2ccc(OCC)nc2
+CC1(C)OB(OC1(C)C)c2ccc(c(F)c2)CNC(=O)OC(C)(C)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(=O)Cl
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(=O)Nc3nccc(CC)c3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3C(=O)NC(c4ccccc4)(CC(C)(C)O)CC3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(O)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CC3)C(=O)NNC(=O)OC(C)(C)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CC3)C(=O)NS(=O)(=O)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CC3)C(OC)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CC3)CC(=O)OCC
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CCC3)NC(=O)OC(C)(C)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3CCC(CC3)CC(=O)OC
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3OC(C)(C)N(C3CF)C(OC(C)(C)C)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC#N
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(O)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCC(=O)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCC(C(OCC)=O)(C)S(=O)(=O)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CN3CCN(CC3)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)F
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N(C)C(=O)OC(C)(C)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CCN(CC3)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CCN(CC3)C(OC(C)(C)C)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CCNCC3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CCOCC3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CCS(CC3)(=O)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)OC(C)(C)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(NC3CC3)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NS(=O)(=O)c3c(ccc(Cl)c3)F
+CC1(C)OB(OC1(C)C)c2ccc(cc2)O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OC
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCN3CCN(CC3)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCc3ccccc3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3cc(F)cc(c3)F
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3ccc(C#N)c(c3)C(F)(F)F
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3ccc(cc3)F
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3ccccc3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)N
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)N(C)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)NC3CC3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)[N+]([O-])=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2OCC3CC3)F
+CC1(C)OB(OC1(C)C)c2ccc(nc2)F
+CC1(C)OB(OC1(C)C)c2ccc(nc2)NC(OC(C)(C)C)=O
+CC1(C)OB(OC1(C)C)c2ccc(nc2C)N
+CC1(C)OB(OC1(C)C)c2ccc3N(C(OC(C)(C)C)=O)CCc3c2
+CC1(C)OB(OC1(C)C)c2ccc3N(CCc3c2)C
+CC1(C)OB(OC1(C)C)c2ccc3OCCCc3c2
+CC1(C)OB(OC1(C)C)c2ccc3c(c2)cco3
+CC1(C)OB(OC1(C)C)c2ccc3n(nc(C)c3c2)S(=O)(=O)c4ccc(cc4)C
+CC1(C)OB(OC1(C)C)c2ccc3ncn(-c4ccccc4)c3c2
+CC1(C)OB(OC1(C)C)c2cccc(C(=O)O)c2
+CC1(C)OB(OC1(C)C)c2cccc(C(F)(F)F)c2
+CC1(C)OB(OC1(C)C)c2cccc(N)c2
+CC1(C)OB(OC1(C)C)c2cccc(N3CCc4c(C3=O)sc5CCCCc45)c2COC(=O)C
+CC1(C)OB(OC1(C)C)c2cccc(NS(=O)(=O)CCC)c2F
+CC1(C)OB(OC1(C)C)c2cccc(O)c2CC
+CC1(C)OB(OC1(C)C)c2cccc(OCC(=O)NC(C)C)c2
+CC1(C)OB(OC1(C)C)c2cccc(c2)COCC(F)(F)F
+CC1(C)OB(OC1(C)C)c2cccc(c2C)C(=O)O
+CC1(C)OB(OC1(C)C)c2cccc3[nH]ccc23
+CC1(C)OB(OC1(C)C)c2cn(C(=O)OC(C)(C)C)nc2C
+CC1(C)OB(OC1(C)C)c2cn(S(=O)(=O)c3ccc(cc3)C)c4ncc(F)cc24
+CC1(C)OB(OC1(C)C)c2cn(nc2)C(=O)OC(C)(C)C
+CC1(C)OB(OC1(C)C)c2cn(nc2)C3(CN(C3)C(=O)OC(C)(C)C)CCF
+CC1(C)OB(OC1(C)C)c2cnc(C)c(N(CC)C)c2
+CC1(C)OB(OC1(C)C)c2cnc(Cl)c(c2)NS(=O)(=O)c3cccc(c3)OC(F)F
+CC1(C)OB(OC1(C)C)c2cnc(N3CCOCC3)cc2
+CC1(C)OB(OC1(C)C)c2cnc(cc2)N3CCN(CC3)C(OC(C)(C)C)=O
+CC1(C)OB(OC1(C)C)c2cnc(o2)C
+CC1(C)OB(OC1(C)C)c2cnc3c(c2)cc[nH]3
+CC1(C)OB(OC1(C)C)c2cncc(S(=O)(=O)C)c2
+CC1(C)OB(OC1(C)C)c2cnn(CCCCCNC(=O)OC(C)(C)C)c2
+CC1(C)OB(OC1(C)C)c2cnn(CCCCO)c2
+CC1(C)OB(OC1(C)C)c2cnn(CCOC)c2
+CC1(C)OB(OC1(C)C)c2cnn(c2)CC3(CCC3)O
+CC1(C)OB(OC1(C)C)c2n(ncc2)-c3ccccc3
+CC1(C)OB(OC1(C)C)c2nc(ccc2)F
+CC1(C)OC(=CC(=O)Cl)C(O1)=O
+CC1(C)OC(=O)C(C(O1)=O)=CNc2cc(OC)cc(c2)OC
+CC1(C)OC(C(C)(C)O1)C(Cl)=NO
+CC1(C)OC(C(CN)O)CO1
+CC1(C)OC(C)=CC(=O)O1
+CC1(C)OC(CO1)CN2C=C(C(=O)c3c2sc(c3)CO)C(NCc4ccc(cc4)Cl)=O
+CC1(C)OC(CO1)CNc2c(cnc3cc(ccc23)Br)[N+](=O)[O-]
+CC1(C)OC(COc2cc(N)ncc2)CO1
+CC1(C)OC(N(c2ccc(cc2)I)C1c3ccccc3)=O
+CC1(C)OC(c2cccc(c2)C#N)=CC(=O)O1
+CC1(C)OC(c2cnc(C=O)s2)CO1
+CC1(C)OC2C(C(OC2n3cnc4c(N)ncnc34)CN)O1
+CC1(C)OC2C(O1)C(OC2n3cnc4c(N)ncnc34)CNC
+CC1(C)OCC(C(Cl)=O)O1
+CC1(C)OCC(COCCC#N)O1
+CC1(C)OCC(Cc2cc3NC(CCc3cc2OC)=O)O1
+CC1(C)OCC(O1)CON
+CC1(C)OCC(O1)COc2cc([N+]([O-])=O)ccc2
+CC1(C)OCC(O1)Cn2nc(cc2)[N+](=O)[O-]
+CC1(C)OCC(c2cnc(cn2)N)O1
+CC1(C)OCCC(C1)CO
+CC1(C)OCc2c(c(cc(c2)F)O)O1
+CC1(C)OCc2c1nc(Cl)nc2Cl
+CC1(C)Oc2c(CC1CC(=O)OCC)cc(cc2)F
+CC1(C)Oc2c(Cl)cc(c(C)c2C1)C
+CC1(C)Oc2c(cc(B(O)O)cc2)C1
+CC1(C)Oc2c(cc(Br)cc2C=O)C(C)(C)C1
+CC1(C)Oc2c(cc(OB(O)O)cc2)CC1
+CC1(C)Oc2c(cccc2C(=O)OCC)C1
+CC1(C)Oc2c(cccc2C1)C(=O)O
+CC1(C)Oc2c(cccc2C1)O
+CC1(C)Oc2c(cccc2C1=S)[N+]([O-])=O
+CC1(C)Oc2ccc(N)cc2C(O1)=O
+CC1(C)S(=O)(=O)c2c(ccc(Br)c2)C1=O
+CC1(C)c2c(-c3ccc(B(O)O)cc13)cccc2
+CC1(C)c2c(C(=O)C1)cc(CC)cc2
+CC1(C)c2c(CC1)cc(OC)cc2
+CC1(C)c2c(CCC1=O)ccc(OC)c2
+CC1(C)c2c(Cl)ccc(C)c2SCC1
+CC1(C)c2c(ccc(Br)c2)OC1
+CC1(C)c2cc(Br)ccc2C(NC1)=O
+CC1(C)c2cc([N+](=O)[O-])c(cc2C(C)(C)C1(C)C)[N+](=O)[O-]
+CC1(C)c2cc(c(B(O)O)cc2C(C)(C)CC1)C
+CC1(C)c2cc(cc(C3CC3)c2OC(C)(C)C1)Br
+CC1(C)c2ccc(cc2N(C1=O)C)C(O)=O
+CC1(C)c2cccc(c2N(C)C1=O)F
+CC1(C)c2ccccc2N(C(=O)O1)CCC#N
+CC1(C)c2ccccc2NC(CC1)=O
+CC12C3CCC4(C(C(C)CCC(=O)O)CCC4C3C(O)CC1CC(CC2)O)C
+CC12C3CCC4(C(CCC4=O)C3CCC1CC(CC2)OC(=O)C)C
+CC1=C(C#N)C(C(=C(C)N1)C#N)c2ccc(F)c(C#N)c2
+CC1=C(C(OC)=O)N(C(=C(C)N1)C(OC)=O)c2cc(ccc2)[N+](=O)[O-]
+CC1=NC(=O)N(c2cc(OC)c(C)cc2)N1
+CC1CC(CC(C)C1)O
+CC1CC(CCN1C(=O)OC)=O
+CC1CCCN1
+CC1CCCNC1
+CC1CCSc2c(cc(c(C)c12)C(=O)O)C
+CC1CN(CC(C)C1=O)Cc2ccccc2
+CC1CN(CC(C)N1)Cc2ccccc2
+CC1CN(CC(C)N1)c2sc3ccccc3n2
+CC1CN(CC(C)O1)CCCCCCCCCCCO
+CC1CNCC(C)C1
+CC1CNCC(C)N1C
+CC1CNCC(C)O1
+CC1N(CC=C)CC(N(CCCCl)C1)C
+CC1NCCOC1
+CC=1CC(N(N=1)c2ccc3c(CCO3)c2)=O
+CC=1N(C(=O)c2c(cccc2)C=1CC(O)=O)O
+CC=1N(C)N(C(=O)C=1)C
+CCB(CC)CC
+CCB(CC)c1cnccc1
+CCBr
+CCC#CCO
+CCC(=CC)c1ccc(C=O)c(c1)O
+CCC(=O)Br
+CCC(=O)C
+CCC(=O)C=C
+CCC(=O)C=COC
+CCC(=O)CBr
+CCC(=O)CC#N
+CCC(=O)CC(CC)=O
+CCC(=O)CC(OCC)=O
+CCC(=O)CCCCCC
+CCC(=O)Cl
+CCC(=O)N(OC)C
+CCC(=O)O
+CCC(=O)c1c(ccc([N+]([O-])=O)c1)O
+CCC(C(=O)Cl)Cl
+CCC(C(=O)OC)Br
+CCC(C(=O)OC)N
+CCC(C([N+](=O)[O-])C)CC=O
+CCC(C)Br
+CCC(CC)(CCC=C(c1cc(Br)cs1)CC)O
+CCC(CC)(N)C(=O)O
+CCC(CC)(N)C(OCC)=O
+CCC(CC)(O)c1c2c(ccc1)NC(=O)N2
+CCC(CC)(c1ccc(O)c(C)c1)c2ccc3c(ccc(C(OC)=O)c3)c2
+CCC(CC)=C(c1c2ccccc2c(cc1)C=O)C(N)=O
+CCC(CC)C(Cl)=O
+CCC(CC)C=O
+CCC(CC)N
+CCC(CC)Nc1c(cnc(Cl)n1)C#CC(OCC)OCC
+CCC(CC)Oc1cccc(C(O)=O)c1
+CCC(CC)c1c(N)nnc(c1)C
+CCC(CC)c1ccc(Cl)c2NC(N(C)c12)=O
+CCC(CCCC)CO
+CCC(CO)OC
+CCC(C[Mg]Br)CCCC
+CCC(I)C
+CCC(N)C(=O)O
+CCC(N)C=CC(=O)OC
+CCC(N)CC(=O)OC
+CCC(N)CO
+CCC(O)(C=C)C(CC=C(CC)C)C
+CCC(OC)C(=O)O
+CCC(S)CO
+CCC(c1cc(C)c(Cl)cc1)=O
+CCC(c1cc2CCOc2cc1)=O
+CCC(c1ccc(cc1O)O)=O
+CCC(c1cccc(OC)c1)=O
+CCC1(CC)C(=O)N(C)c2ccccc12
+CCC=O
+CCCBr
+CCCC(=O)Cl
+CCCC(=O)O
+CCCC(CCC)C(O)=O
+CCCC(CCC)c1ccc(cc1)O
+CCCC(N)C
+CCCC=CC(=O)O
+CCCC=O
+CCCCBr
+CCCCC(=O)CF
+CCCCC(=O)Cl
+CCCCC(C=O)C(=O)C
+CCCCC=O
+CCCCCCCCCCC(=O)CCCCCBr
+CCCCCCCCCCCC#N
+CCCCCCCCCCCC(=O)NN
+CCCCCCCCCCCC(O)CCO
+CCCCCCCCCCCCN
+CCCCCCCCCCCCNCCO
+CCCCCCCCCCCCS
+CCCCI
+CCCCN
+CCCCNC
+CCCCNN
+CCCCOC(=O)C1(N)CCOC1
+CCCCOC(=O)C=C
+CCCCOC(=O)Cl
+CCCCOC=C
+CCCC[Mg]Br
+CCCC[Sn](CCCC)(CCCC)c1cc(C(OCC)=O)[nH]n1
+CCCC[Sn](CCCC)(CCCC)c1ccccn1
+CCCC[Sn](CCCC)(CCCC)c1ccncc1F
+CCCC[Sn](CCCC)(CCCC)c1ccnn1-c2ccc(cc2)C#N
+CCCC[Sn](CCCC)(CCCC)c1n(C)ncc1
+CCCC[Sn](CCCC)(CCCC)c1nc(cs1)C
+CCCC[Sn](CCCC)(CCCC)c1ncccn1
+CCCC[Sn](CCCC)(CCCC)c1nccnc1
+CCCC[Sn](CCCC)(CCCC)c1nccs1
+CCCC[Sn](CCCC)(CCCC)c1ncn(C)c1
+CCCI
+CCCN
+CCCN(CCC)CC(N1c2c(cc(C)c(C)c2)NC(=O)c3cccnc13)=O
+CCCN(CCC)c1cccc2NC(=O)N(C)c12
+CCCNC
+CCCOC(=O)Cl
+CCCOc1c(O)cc(CO)nc1
+CCCOc1n[nH]c(c1)C(=O)OC
+CCCS
+CCC[Mg]Cl
+CCC[N+](=O)[O-]
+CCCc1c(OCOC)cccn1
+CCCc1cccnc1
+CCI
+CCN
+CCN(CC)C(NC1CC2c3c4C(CNc4ccc3)CC2N(C)C1)=O
+CCN(CC)C1CNCC1
+CCN(CC)CCBr
+CCN(CC)CCCC(N)C
+CCN(CC)CCCO
+CCN(CC)CCNC(c1c(c([nH]c1)C=O)C)=O
+CCN(CC)CCO
+CCN(CCN)c1cc(C)ccc1
+CCN1C(C(Br)=Cc2cnc(SC)nc12)=O
+CCN1CCCC1CN
+CCN1CCNCC1=O
+CCN=C=S
+CCNC
+CCNC(=O)N
+CCNC(=O)Nc1ncc(Br)c(c1)C(N)=S
+CCNC(N)=S
+CCNC1CCc2c(C1)sc(N)n2
+CCNCC(=O)O
+CCO
+CCOC(=O)C
+CCOC(=O)C#CC
+CCOC(=O)C#N
+CCOC(=O)C(=COCC)C(CCC)=O
+CCOC(=O)C(=COCC)C(c1c(c(c(cc1F)F)F)C)=O
+CCOC(=O)C(C(=O)OCC)(NC(=O)C)CC(c1ccc(cc1)Sc2ccccc2)=O
+CCOC(=O)C(C(=O)OCC)C
+CCOC(=O)C(C(OCC)=O)=O
+CCOC(=O)C(C(OCC)=O)CC(C)C
+CCOC(=O)C(C=O)Cl
+CCOC(=O)C(CC=C)C
+CCOC(=O)C(CCBr)C
+CCOC(=O)C(N)=S
+CCOC(=O)C(N)C
+CCOC(=O)C1=CN(c2ccc(F)cc2F)c3c(c(c(cc3C1=O)F)F)Br
+CCOC(=O)C1C(CCNC1)=O
+CCOC(=O)C1CCCC1=O
+CCOC(=O)C=1C(N(c2c(cccc2)N=1)CCO)=O
+CCOC(=O)C=C
+CCOC(=O)C=C(C)Cl
+CCOC(=O)C=Cc1c(N)cc(Br)nc1
+CCOC(=O)C=Cc1cc[nH]c1
+CCOC(=O)C=O
+CCOC(=O)CBr
+CCOC(=O)CC#N
+CCOC(=O)CC(=O)c1ccc(F)c(F)c1
+CCOC(=O)CC(N)C
+CCOC(=O)CCCCCCCC1=Cc2c(c(OC)c(c(OC)c2OC)OC)C1
+CCOC(=O)CN
+CCOC(=O)CNC(=O)c1ccccc1O
+CCOC(=O)CNN
+CCOC(=O)CNc1ncc(I)cc1[N+](=O)[O-]
+CCOC(=O)CS
+CCOC(=O)C[N+]#[C-]
+CCOC(=O)C[N+](=O)[O-]
+CCOC(=O)Cl
+CCOC(=O)NC(Nc1nccc(Cl)c1)=S
+CCOC(=O)NN
+CCOC(=O)c1[nH]ccc1N
+CCOC(=O)c1c(C#N)c(Cl)c(C)[nH]1
+CCOC(=O)c1c(C)nc(Br)s1
+CCOC(=O)c1c(C)nc(N)s1
+CCOC(=O)c1c(C)nc(N2CC(C)NC2=O)s1
+CCOC(=O)c1c(C=O)c[nH]n1
+CCOC(=O)c1c(N)cc(-c2ccco2)[nH]1
+CCOC(=O)c1c([nH]nc1)-c2sc3CCCCc3n2
+CCOC(=O)c1c(sc2CN(CCc12)C)N=COCC
+CCOC(=O)c1c2c(n[nH]1)C(C3C2C3)OCOC
+CCOC(=O)c1cc(N)c(cc1)N
+CCOC(=O)c1ccc(c(OCC)c1)Cl
+CCOC(=O)c1cccc(C(=O)CBr)c1
+CCOC(=O)c1cccn1CC=C
+CCOC(=O)c1cn2CCNCc2n1
+CCOC(=O)c1csc(Br)n1
+CCOC(=O)c1n(C)c(C)cc1N
+CCOC(=O)c1n[nH]c(C)c1
+CCOC(=O)c1n[nH]cc1
+CCOC(=O)c1nc(c2n(ccc2c1O)Cc3ccc(F)c(F)c3)C#N
+CCOC(=O)c1ncc(c(N)c1)[N+](=O)[O-]
+CCOC(=O)c1nccc(Cl)c1
+CCOC(=O)c1ncn(C)c1N
+CCOC(=O)c1ncn(CC=C)c1
+CCOC(=O)c1nn(c2C3CC(CC3)c12)C
+CCOC(C(=O)OCC)=O
+CCOC(C1=CCN(CC1)C)=O
+CCOC(C1=CN(NC1=O)C)=O
+CCOC(C1C(CO)C1)=O
+CCOC(C1CCCNC1)=O
+CCOC(C1CCNC(C1)=O)=O
+CCOC(C1COCCC1N)=O
+CCOC(C=CCN1C(NC(c2ccccc12)=O)=O)=O
+CCOC(C=[N+]=[N-])=O
+CCOC(CCBr)=O
+CCOC(CCC1CCCC(C1)=O)=O
+CCOC(CCC=C)=O
+CCOC(CCCBr)=O
+CCOC(CCCCl)=O
+CCOC(CCCN)=O
+CCOC(CCN)=O
+CCOC(CCNC)=O
+CCOC(CCl)=O
+CCOC(Cc1cc(Br)ncc1[N+](=O)[O-])=O
+CCOC(Cc1ccncc1[N+](=O)[O-])=O
+CCOC(NC(=O)C(=COCC)C#N)=O
+CCOC(OCC)(OCC)CC
+CCOC(OCC)(OCC)CCl
+CCOC(OCC)(OCC)c1ccccc1
+CCOC(OCC)CN(C)C
+CCOC(OCC)OCC
+CCOC(OCC)c1[nH]c2c(c1)cnc(c2)Br
+CCOC(OCC)c1oc2c(cncc2c1)I
+CCOC(c1[nH]c2ccccc2c1)=O
+CCOC(c1[nH]cc(C)c1)=O
+CCOC(c1c(C)n(C)cc1)=O
+CCOC(c1c(C)nc(O)nc1)=O
+CCOC(c1c(C)nccc1)=O
+CCOC(c1c(Cl)nc(SC)nc1)=O
+CCOC(c1c(Cl)nccc1)=O
+CCOC(c1c(I)n[nH]c1)=O
+CCOC(c1c(N)n[nH]c1)=O
+CCOC(c1c(O)c2c(c(Cl)nc(C)c2)nc1)=O
+CCOC(c1c(O)c2c(nc1)c(C)c(C=O)s2)=O
+CCOC(c1c(n[nH]c1)C)=O
+CCOC(c1c2c(n[nH]c2)nc(Br)c1)=O
+CCOC(c1c2n(c(CCOC)c1)cccc2Cl)=O
+CCOC(c1c2n(nc1)ccc(Cl)n2)=O
+CCOC(c1cc(C#N)c(S)nc1)=O
+CCOC(c1cc(C)cc(C(=O)O)c1)=O
+CCOC(c1cc([N+]([O-])=O)c(OCC)cc1)=O
+CCOC(c1cc[nH]c1C)=O
+CCOC(c1ccc[nH]1)=O
+CCOC(c1cccs1)=O
+CCOC(c1ccnc(Cl)c1)=O
+CCOC(c1ccnc(Cl)c1C)=O
+CCOC(c1cn[nH]c1)=O
+CCOC(c1sc(Br)nc1)=O
+CCOC(c1sc(N)nc1)=O
+CCOC=C
+CCOC=O
+CCOCC
+CCON
+CCOP(OCC)(=O)C(F)(F)Br
+CCOP(OCC)(=O)Cc1c2c(cccc2)ncc1
+CCOP(OCC)(=O)Cc1ccc(N)c(c1)OC
+CCOP(OCC)(CC(=CC(OCC)=O)C)=O
+CCOP(OCC)(CC(=O)O)=O
+CCOP(OCC)(Cl)=O
+CCOP(OCC)(S)=S
+CCO[PH](C)=O
+CCO[Si](OCC)(OCC)CCCCl
+CCOc1c2c(CC(=O)O)c[nH]c2c(Cl)cc1F
+CCS
+CCS(O)=O
+CC[K]
+CC[Mg+]
+CC[Mg]Br
+CC[Mg]Cl
+CC[N+](=O)[O-]
+CC[O+](CC)CC
+CC[Si](CC)(CC)C#C
+CC[Si](CC)(CC)Cl
+CCc1c(C)nc(O)c(c1)[N+](=O)[O-]
+CCc1c(N)cnc(c1)-c2cccs2
+CCc1c(O)ncc(C(=O)O)n1
+CCc1c2c(cccc2ccc1)O
+CCc1cc(N)on1
+CCc1ccc[nH]1
+CCc1cccc(CC)c1N
+CCc1cccc(CC)c1N=C=O
+CCc1cn2c(c(C(=O)O)cc(Cl)c2N)n1
+CCc1nccc(c1)C(N)=S
+CCn1c2c(cc1)cnc(c2)C(=O)OC
+CI
+CN(C)C(=O)C
+CN(C)C(=O)C(N)Cc1cnc(-c2cccc(c2F)F)cc1
+CN(C)C(=O)COc1ccc2c[nH]nc2c1
+CN(C)C(=O)c1cc2cccc(N3CCN(CC3)Cc4ccccc4)c2o1
+CN(C)C(=O)c1ccc(N(C)C(c2cc3CCOc4cc(Br)ccc4-c3s2)=O)c(Cl)c1
+CN(C)C(C)(C)C=O
+CN(C)C(CC)=O
+CN(C)C(CCl)=O
+CN(C)C(CN1CCNCC1)=O
+CN(C)C(CN1CCc2c(ccc([N+](=O)[O-])c2)CC1)=O
+CN(C)C(Cl)=O
+CN(C)C(N(C)C)C(OC)C#N
+CN(C)C(N(C)C)OC(C)(C)C
+CN(C)C(N)=S
+CN(C)C(OCC)OCC
+CN(C)C(Oc1cccc(c1)N)=O
+CN(C)C(c1ccc(N)c(C)c1)=O
+CN(C)C(c1oc2c(n1)c(c(C)c(c2F)C(=C)OCC)C#N)=O
+CN(C)C1(CCC(CC1)=CC(OCC)=O)c2cnccc2
+CN(C)C1CCN(c2ncc(cc2C)Br)C1
+CN(C)C1CCNCC1
+CN(C)C1CN(CC1)C(=O)N
+CN(C)C1CN(c2c(C)ncc(Br)c2)S(=O)(=O)C1
+CN(C)C1CNCC1
+CN(C)C=C(C(C)=O)C(=O)OCC
+CN(C)C=C(C(OCC)=O)c1ccc(cc1)C#N
+CN(C)C=CC(=O)c1ccncc1
+CN(C)C=CC(c1cnc(C)n1C(C)C)=O
+CN(C)C=CC=O
+CN(C)C=NS(=O)(=O)c1c(Cl)ccc(c1)C(c2ccc(c(c2Cl)Cl)O)=O
+CN(C)C=Nc1[nH]nc(-c2ccc(cc2)[N+](=O)[O-])c1C#N
+CN(C)C=Nc1cc(sc1C(OC)=O)-c2ccc(cc2)Cl
+CN(C)C=Nc1nc(O)c(c(n1)C)[N+](=O)[O-]
+CN(C)C=O
+CN(C)CC#C
+CN(C)CC(N)C
+CN(C)CC(O)=O
+CN(C)CC(O)CO
+CN(C)CC(O)S(=O)(=O)O
+CN(C)CC1NCCC1
+CN(C)CC=CC(O)=O
+CN(C)CCC#N
+CN(C)CCC(=O)O
+CN(C)CCCCN
+CN(C)CCCCl
+CN(C)CCCN
+CN(C)CCCN=C=NCC
+CN(C)CCCNC
+CN(C)CCCO
+CN(C)CCCl
+CN(C)CCN
+CN(C)CCN1CCSc2cc([N+](=O)[O-])ccc12
+CN(C)CCNC
+CN(C)CCNCc1ccccc1
+CN(C)CCNc1c(F)cc(c(c1)N)[N+]([O-])=O
+CN(C)CCNc1cc(Br)cc(F)c1
+CN(C)CCO
+CN(C)CCON
+CN(C)CCOc1c([N+](=O)[O-])cc(cc1)Br
+CN(C)CCOc1c(ccc(c1)NC(c2cc(c(cc2)Br)C)=O)OC
+CN(C)CCOc1cc2cc(C(O)=O)[nH]c2cc1
+CN(C)CCc1cc(Br)ccc1OC
+CN(C)CN(C)C
+CN(C)Cc1c2cc(C(OC)=O)ccc2[nH]c1
+CN(C)Cc1cn2c(SC)nc(cc2n1)Cl
+CN(C)Cc1nn(c(c1)N)C
+CN(C)S(=O)(=O)N
+CN(C)S(=O)(=O)n1c(ncc1)Br
+CN(C)c1c(ccc(c1)[N+](=O)[O-])O
+CN(C)c1cc(ccn1)Br
+CN(C)c1ccc(cc1)C=O
+CN(C)c1ccc(cc1)CN
+CN(C)c1ccc(cc1[N+]([O-])=O)N=C(N)N
+CN(C)c1ccc(cn1)B(O)O
+CN(C)c1cccc(N)c1
+CN(C)c1nc2c([nH]1)c(C(=O)OC)cc([N+]([O-])=O)c2
+CN1C(C(Br)=NC(Br)=C1)=O
+CN1C=C(Br)C=C(C1=O)Br
+CN1c2c(nc[nH]2)C(N(C)C1=O)=O
+CN=C=S
+CNC
+CNCCCCC=C
+CNCCc1ccc(c(OC)c1)OC
+CNCc1ccc(Br)c(Cl)c1
+CNc1c(CC=C)cccc1
+CO
+COC(=O)C(C(=O)OC)=COC
+COC(=O)Cc1cc(OC)c(cc1)OC
+COC(=O)c1c(cccc1I)C(OC)=O
+COC(C(=O)OC)=O
+COC(OC)(C)C
+COC(OC)(OC)CC
+COC(OC)(OC)CCC
+COC(OC)(OC)CCl
+COC(OC)C(=O)C
+COC(OC)CN
+COC(OC)CNCc1ccc(cc1)F
+COC(OC)c1c(F)cncc1N=[N+]=[N-]
+COC(OC)c1cnc(c(Br)c1)C
+COC(OC)c1nc2NCCCc2cc1N3CCOCC3=O
+COC1=NCCCCC1
+COC1CNC(C(OC)=O)C1
+COC=1C(OC(C=1)=O)=O
+COCC(COC)(c1ccc(cc1)OCOCCOC)C(OC)=O
+COCC(COC)O
+COCCOC
+CON
+COP(OC)(=O)C
+COP(OC)(=O)C(OC)C(OC)=O
+COP(OC)(=O)CC(OC)=O
+COP(OC)(=O)c1ccc(cc1)Cl
+COP(OC)OC
+COc1c(C(=O)OC)cc(cc1C)Br
+COc1c(C(=O)OC)cc(cn1)F
+COc1c(C)c([N+]([O-])=O)ccc1
+COc1c(Cl)cc(F)c(C(C(N)=O)N)c1
+COc1c(Cl)nc(Cl)nc1
+COc1c(F)ccc(c1)O
+COc1c(F)cccc1Br
+COc1c(F)cccc1C(=O)O
+COc1c(N)c(C)cc(c1)Br
+COc1c(O)cc2c(c(ncn2)Cl)c1
+COc1c(OC)cc(C=Cc2[nH]c3c(n2)C(=O)N(CCC)C(N3CCC)=O)cc1
+COc1c(c(Cl)ccc1)C
+COc1c(c(c(Cl)cc1C(Cl)C)C)-c2cc(C#N)ncc2
+COc1c(cc(C)c2C(=O)C(Nc12)=O)F
+COc1c(cc(OC)cc1)CCN
+COc1c(cc(c(N)c1C(=O)OC)[N+]([O-])=O)Br
+COc1c(cccc1)[Mg]Br
+COc1c(cccc1Br)C(=O)O
+COc1c2[nH]ccc2ccc1
+COc1c2c(C(=O)OC)cnn2cc(c1)Br
+COc1cc(-c2cnn(C)c2)cn3nccc13
+COc1cc(-n2nccc2)ccc1-c3nnc(cc3)Cl
+COc1cc(Br)c(Cl)cc1I
+COc1cc(Br)c(c2C(=O)C(Nc12)=O)Cl
+COc1cc(C)ccc1O
+COc1cc(OCOC)c(cc1)C(=O)O
+COc1cc([N+]([O-])=O)ccc1C(=O)O
+COc1cc([N+]([O-])=O)ccc1Cl
+COc1cc([N+]([O-])=O)ccc1F
+COc1cc([N+]([O-])=O)ccc1O
+COc1cc(c(Cl)cc1)-c2cc(C)c3nc(N)nnc3c2
+COc1cc(c(cc1Br)Cl)C(=O)O
+COc1cc(cc(F)c1[N+]([O-])=O)Br
+COc1cc(cc(OC)c1)C(OC)=O
+COc1cc(cc(OC)c1)C2=CC(=O)c3c(cc(O)cc3)O2
+COc1cc(cc(OC)c1)CN
+COc1cc(cc(OC)c1OC)C(=O)Cl
+COc1cc(ccc1C(=O)O)F
+COc1cc2C(N(c3c(C)ccc(c3)C(=O)OC)C=Nc2cc1)=O
+COc1cc2CC(=O)CCc2cc1
+COc1cc2CCCC(c2cc1)=O
+COc1cc2CCNc2cc1OC
+COc1cc2OCC(c2cc1)=O
+COc1cc2OCCNC(c2cc1)=O
+COc1cc2c(Sc3cccc(c3CC2=O)C#N)cc1
+COc1cc2c(cc1)C(C(CC(=O)O)C2)=O
+COc1cc2c(cc1)N=CC(=O)N2CC=O
+COc1cc2c(cc1F)C(C(CCCC)C2)=O
+COc1cc2c(ccc(n2)C)cc1F
+COc1cc2c(ncnc2cc1)Cl
+COc1cc2c[nH]nc2cc1Br
+COc1cc2nnc(c(c2cc1Br)Nc3c(F)cc(C)cc3)C(=O)N
+COc1ccc(Br)c(C#N)c1
+COc1ccc(Br)c(c1)C(=O)O
+COc1ccc(C(=O)C)c(c1)O
+COc1ccc(C(=O)OC)c(C(=O)C)c1
+COc1ccc(Cl)c(C)c1
+COc1ccc(Cl)c(I)c1
+COc1ccc(Cl)c(c1)CC(=O)O
+COc1ccc([N+]([O-])=O)c(C#N)c1
+COc1ccc(c(C(=O)C)c1)O
+COc1ccc(c(C)c1)C(=O)O
+COc1ccc(c(Cl)c1)CC(=O)O
+COc1ccc(c([N+]([O-])=O)c1)Br
+COc1ccc(c([N+]([O-])=O)c1)C
+COc1ccc(c([N+]([O-])=O)c1)O
+COc1ccc(c(c1)C(=O)O)F
+COc1ccc(c(c1)O)C
+COc1ccc2c(NC(=O)C(C)O2)c1
+COc1ccc2c(Sc3c(cc(SC)cc3)C(O)C2)c1
+COc1ccc2c(c1)C(C(OC)=O)CNC2
+COc1ccc2c(c1)C=CC2=O
+COc1ccc2cc[nH]c2c1
+COc1ccc2nc(c(Cl)nc2c1)Cl
+COc1cccc(-c2c(c(sc2)N)C#N)c1
+COc1cccc(C(C)N)c1
+COc1cccc(C(CBr)=O)c1
+COc1cccc(C(Cl)=O)c1
+COc1cccc(C)c1C
+COc1cccc(C)c1C(N(OC)C)=O
+COc1cccc(CC#N)c1
+COc1cccc(CCBr)c1
+COc1cccc(CCC(=O)O)c1
+COc1cccc(Cl)c1Cl
+COc1cccc(F)c1C#N
+COc1cccc(NN)c1
+COc1cccc(O)c1
+COc1cccc(OC)c1-c2ncccc2
+COc1cccc(c1)C#C
+COc1cccc(c1)C2(CC)C(NCCCC2)=O
+COc1cccc(c1)CC2C(CCCC2)=O
+COc1cccc(c1)CCN
+COc1cccc(c1)CCO
+COc1cccc(c1)CC[Mg]Br
+COc1cccc(c1)CCl
+COc1cccc(c1)F
+COc1cccc(c1)N=C=O
+COc1cccc(c1I)O
+COc1cccc2c(O)nc(C)nc12
+COc1cccc2c1CCCC(=O)C2
+COc1cccc2c1oc(C)c2
+COc1cccc2ccc(Cl)nc12
+COc1cccc2sncc12
+COc1nc(CO)ccc1
+COc1nc(ccc1)N
+COc1nc2c(c(nc(n2)NCCCC)N)[nH]1
+COc1nc2c(nccc2C=C)cc1
+COc1nc2c(nccc2CCN3CCOC(C3)CN)cc1
+COc1nccc(c1)C(=O)OC
+COc1ncnc(Cl)c1
+COc1nnc(cc1)N
+CS(C)=O
+CS(O)=O
+CSC
+CSC(SC)=C(C(N)=O)C#N
+CSC(SC)=C[N+]([O-])=O
+CSSC
+C[Mg]Cl
+C[N+](C)(C)N
+C[O+](C)C
+C[S+](C)(C)=O
+C[S+](C)C
+C[Si](C)(C)Br
+C[Si](C)(C)C#C
+C[Si](C)(C)C#CC(CC)(C(F)(F)F)O
+C[Si](C)(C)C#CC(O)c1c(C#Cc2ccccc2)cccc1
+C[Si](C)(C)C#CC1(CCNCC1)O
+C[Si](C)(C)C#CC1CCCCC1
+C[Si](C)(C)C#CCC
+C[Si](C)(C)C#CCCCCC(=O)Cl
+C[Si](C)(C)C#CCCN=[N+]=[N-]
+C[Si](C)(C)C#Cc1c(C)cncc1
+C[Si](C)(C)C#Cc1c(N=NN(CC)CC)c(-c2cccc(c2)F)c(C(OC)=O)cc1Cl
+C[Si](C)(C)C#Cc1cc2c(ncc(C#N)c2O)cn1
+C[Si](C)(C)C#Cc1ccc(Cl)nc1
+C[Si](C)(C)C#Cc1ccc(cc1)OCCCCCC
+C[Si](C)(C)C#Cc1ccc(cc1)OCCO
+C[Si](C)(C)C#Cc1ccc(cc1)[Si](C)(C)C
+C[Si](C)(C)C#Cc1cccc(-c2n(nc3c2cccc3C(F)(F)F)Cc4c(cc(cc4F)F)F)c1
+C[Si](C)(C)C#Cc1cccc(C#N)c1
+C[Si](C)(C)C#Cc1ccccc1N
+C[Si](C)(C)C#Cc1n2c(cccn2)nc1
+C[Si](C)(C)C#Cc1nn(c(N2CCCC2)n1)C
+C[Si](C)(C)C#N
+C[Si](C)(C)C=[N+]=[N-]
+C[Si](C)(C)CC(C(=O)OCC)NC(c1cccc(c1)I)=O
+C[Si](C)(C)CC(C(O)=O)N
+C[Si](C)(C)CCO
+C[Si](C)(C)CCOC(=O)N1C(C(OC)=O)CC(O)C1
+C[Si](C)(C)CCOC(ON1C(=O)CCC1=O)=O
+C[Si](C)(C)CCOCCl
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2c(ccn2)nc(C(C)=O)c1
+C[Si](C)(C)CCOCN1C(=O)N(C2CCOCC2)c3nc(ncc13)Cl
+C[Si](C)(C)CCOCOc1c(Br)c(cc(C(O)=O)c1)OCc2ccccc2
+C[Si](C)(C)CCOCOc1cc(cc2c1cccc2)OC(C)(C)C(OCC)=O
+C[Si](C)(C)CCOCOc1ccc(C(=N)NO)c2occc12
+C[Si](C)(C)CCOCn1c(Cl)cc2nc(-c3ccc(cc3)-c4ccccc4)c(Cl)cc12
+C[Si](C)(C)CCOCn1c(c(nc1)Cl)C(=O)O
+C[Si](C)(C)CCOCn1c(nc(C#N)c1)C(O)=O
+C[Si](C)(C)CCOCn1c2c(c(C(F)(F)F)c1)c(Cl)ccn2
+C[Si](C)(C)CCOCn1c2c(c(ncn2)-c3c(C)cc(cc3)C)c(C(=O)O)c1
+C[Si](C)(C)CCOCn1c2c(c(nnc2)O)c(Cl)c1
+C[Si](C)(C)CCOCn1c2c(c3cc(ncc13)C#N)c(ccn2)Cl
+C[Si](C)(C)CCOCn1c2c(nc(cn2)N3Cc4c(cccc4Cl)C3=O)c(c1)C=O
+C[Si](C)(C)CCOCn1c2cc(ccc2c(n1)C(=O)OC)Br
+C[Si](C)(C)CCOCn1c2ncc(nc2c(c1)C(O)=O)C3CC3
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)-c3cn(C4(CNC4)CC#N)nc3
+C[Si](C)(C)CCOCn1cc(c2c(ncnc12)Cl)-c3cc(ccc3)C#N
+C[Si](C)(C)CCOCn1cc(c2nc(Br)cnc12)C=O
+C[Si](C)(C)CCOCn1ccc2c(Cl)c(cnc12)Br
+C[Si](C)(C)CCOCn1ccc2c(ccnc12)N
+C[Si](C)(C)CCOCn1ccc2c1ncnc2-c3c[nH]nc3
+C[Si](C)(C)CCOCn1nc2c(C=O)cc(F)cc2c1
+C[Si](C)(C)CCOCn1ncc(-c2ccc(nn2)Cl)c1
+C[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1
+C[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1-c2cc3C4(CC4)C(N(c5c(c(OC)cc(c5F)OC)F)Cc3cn2)=O
+C[Si](C)(C)CCOCn1ncc2nc(C=C)c(cc12)NC(=O)OC(C)(C)C
+C[Si](C)(C)CCS
+C[Si](C)(C)CN(COC)Cc1ccccc1
+C[Si](C)(C)CN=[N+]=[N-]
+C[Si](C)(C)Cl
+C[Si](C)(C)Cn1c(C(OCC)=O)c(-c2ccc(cc2)Br)nn1
+C[Si](C)(C)N=C=N[Si](C)(C)C
+C[Si](C)(C)N=C=O
+C[Si](C)(C)N=[N+]=[N-]
+C[Si](C)(C)N[Si](C)(C)C
+C[Si](C)(C)OC(C)(C)C#C
+C[Si](C)(C)OC(c1nc(C)sc1)C#N
+C[Si](C)(C)OC1(CC1)OCC
+C[Si](C)(C)OCC1OC(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=O
+C[Si](C)(C)OCc1ccnc(C#N)c1
+C[Si](C)(C)ON
+C[Si](C)(C)c1[nH]nc(C(=O)OCC)c1
+C[Si](C)(C)c1c(c(Cl)ccc1)C(=O)Cl
+C[Si](C)(C)c1c2c(cc(C(OCC)=O)[nH]2)ccc1
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(OC)nc(nc3OC)NCCOCc4ccccc4)=O
+C[Si](C)(C)c1cc(c(cc1)NC2=C(C(=O)N3C(OCC3)=C2[N+]([O-])=O)C)F
+C[Si](C)(C)c1ccc(Nc2c(C(=O)O)ncc(n2)Cl)c(F)c1
+C[Si](C)(C)c1ccc([N+](=O)[O-])c(F)c1
+C[Si](C)(C)c1ccc(c(F)c1)Nc2c(C(=O)OC(C)(C)C)ccc3sncc23
+C[Si](C)(CCCO)CCCC
+C[Si](C)(CCl)Cl
+C[Sn](C)(C)C
+C[Sn](C)(C)N=[N+]=[N-]
+C[Sn](C)(C)c1cc(NC(=O)OC)ncc1
+C[Sn](C)(C)c1cc(ccn1)C(=O)OC
+C[Sn](C)(C)c1ccc(C2=NOC(C2)CO)s1
+C[Sn](C)(C)c1ccc(cc1)C=2CC(CO[Si](C)(C)C(C)(C)C)ON=2
+C[Sn](C)(C)c1ccc(cn1)S(=O)(=O)N(C)CC
+C[Zn]C
+Cc1[nH]c2c(n1)c(C)cc(C(=O)OC)n2
+Cc1c(-c2cc3c(c(O)c([N+]([O-])=O)cn3)cc2OC)c(C)on1
+Cc1c(-c2occc2)ccc(c1)C(=O)C
+Cc1c(C(=O)C)n(c(C)n1)C
+Cc1c(C(=O)O)c(C)on1
+Cc1c(C(=O)OC)n(nn1)-c2ccc(cc2OC)Br
+Cc1c(C(C)C(OCC)=O)ccc([N+]([O-])=O)n1
+Cc1c(C)c(c(C)c(C)c1OCCOCC)-c2cccc(C=O)c2
+Cc1c(C)cc(c(Br)c1)[N+]([O-])=O
+Cc1c(C)cco1
+Cc1c(CN)c(cc(C)n1)O
+Cc1c(Cl)nnc(N)c1C
+Cc1c(N=C=O)c(C)on1
+Cc1c(O)nc2c(cccc2Br)n1
+Cc1c(O)nc2c(cccc2Cl)n1
+Cc1c(c(-n2c3c(cc(Cl)cc3)cc2)n(C)n1)C=O
+Cc1c(c(C(CC#C)N)ccc1)C
+Cc1c(c(Cl)nc(Cl)n1)CCl
+Cc1c(c(Cl)nc(Cl)n1)[N+]([O-])=O
+Cc1c(c(N)cc(C)n1)C(=O)OCC
+Cc1c(c(O)nc(SC)n1)C(C)CC
+Cc1c(c([N+]([O-])=O)ccc1)Br
+Cc1c(c([nH]n1)C)Cl
+Cc1c(c(nc(n1)N)O)Br
+Cc1c(cc(C#N)c(O)n1)C(=O)C
+Cc1c(cc(c(O)n1)Br)Br
+Cc1c(cc2N=CC(N(CC(=O)O)c2c1)=O)C
+Cc1c(cc2c(ccc(c2)Br)n1)C(=O)OCC
+Cc1c(cc2c(n1)nc(SC)nc2)O
+Cc1c(cc2ccccc2c1)C=O
+Cc1c(ccc(C)n1)O
+Cc1c(ccc(C)n1)[N+]([O-])=O
+Cc1c(ccc(F)n1)[N+]([O-])=O
+Cc1c(ccc(c1)C(=O)OC)Br
+Cc1c(ccc(c1)C=O)C
+Cc1c(ccc(c1)O)Br
+Cc1c(ccc(n1)N)Br
+Cc1c(ccc(n1)N)C#N
+Cc1c(cccn1)Cc2cc3c(o2)ccc(CC(OC)=O)c3
+Cc1c(nc(-c2cc(ccc2)Br)o1)CC#N
+Cc1c2OCOc2ccn1
+Cc1c2[nH]ccc2ccc1
+Cc1c2c(-c3ccc(Cl)cc3N(C2=O)C)ccn1
+Cc1c2c(O)nc(CCC)nc2on1
+Cc1c2c([nH]cc2)c(cc1)[N+]([O-])=O
+Cc1c2c([nH]n1)ncnc2N
+Cc1c2c(nc(Br)cc2C(=O)OCC)n(C3CCCCO3)n1
+Cc1c2c(nn1C)ccc(c2C(=O)OC)Br
+Cc1c2cc(c(F)cc2[nH]n1)Br
+Cc1c2cc(ccc2[nH]n1)Br
+Cc1c2ccc(N)cc2nn1C
+Cc1c2ccc(N3CC(CO)OC3=O)cc2on1
+Cc1c2cccn2ccn1
+Cc1c2nc(C3C(C(C(Br)C)=O)C3)nn2c(C)cn1
+Cc1c2nc(C3C(C3)C(OCC)=O)nn2c(C)cn1
+Cc1c2nc(nn2c(C)cn1)CCc3ccc(cn3)O
+Cc1cc(C)c(O)c(Br)c1
+Cc1cc(C)c(cc1)C(=O)O
+Cc1cc(C)c(cc1)O
+Cc1cc(C)n[nH]1
+Cc1cc(CBr)cc(c1)C(=O)OC
+Cc1cc(Cn2nc(c3ccccc23)C(OC)=O)no1
+Cc1cc(I)ccc1
+Cc1cc(N=C=O)ccc1
+Cc1cc(O)c(cc1)C(=O)O
+Cc1cc(c(Cl)cc1)O
+Cc1cc(c(F)cc1)O
+Cc1cc(c(cc1)Br)O
+Cc1cc(c(cc1[N+]([O-])=O)N)C
+Cc1cc(cc(C)c1)-c2c(C(C)CN)c3c(c(cc(c3)C(C)(C)C(OCC)=O)Br)[nH]2
+Cc1cc(cc(C)c1)C=O
+Cc1cc(cc(C)c1)Nc2c(C(OCC)=O)nnc(c2)Cl
+Cc1cc(cc(C)c1-c2c3n(c4c(nc(nc4O)C)c3)ccc2)C
+Cc1cc(cc(C)c1C(CBr)=O)O
+Cc1cc(cc(C)c1C2OC(CC(=O)C2)=O)C
+Cc1cc(cc(C)c1CC#N)Cl
+Cc1cc(cc(C)c1Cl)O
+Cc1cc(cc(C)c1N)C
+Cc1cc(cc(C)c1O)C
+Cc1cc(cc(C)c1O)C#N
+Cc1cc(cc(C)c1S(=O)(=O)Cl)C
+Cc1cc(cc(C)c1S(=O)(=O)N(CCOCC(=O)O)C)OC
+Cc1cc(cc(C)c1[N+](=O)[O-])C(O)=O
+Cc1cc(cc(C)n1)CO
+Cc1cc(cc(c1F)C(=O)O)Br
+Cc1cc(ccc1)CCO
+Cc1cc(ccc1)Nc2cc(Cl)ncn2
+Cc1cc(ccc1)O
+Cc1cc(ccc1C(=O)C)O
+Cc1cc(nc(Br)c1)N
+Cc1cc2c([nH]1)ccc(c2)C(=O)OC
+Cc1cc2c([nH]1)ccc(c2)F
+Cc1cc2c(cc1)cc[nH]2
+Cc1cc2c(cccc2O)[nH]1
+Cc1ccc(-c2cnn(C)c2)c(C(=O)OC)c1
+Cc1ccc(Br)c(C(=O)O)c1
+Cc1ccc(C)c(N)c1N
+Cc1ccc(C)c2C(=O)CCCc12
+Cc1ccc(F)c(Br)c1
+Cc1ccc(O)c2c1nc(c(C)c2C)O
+Cc1ccc([N+]([O-])=O)c(C(=O)O)c1
+Cc1ccc([N+]([O-])=O)c(F)c1
+Cc1ccc(c(C(=O)C)c1)O
+Cc1ccc(c(Cl)c1)[N+]([O-])=O
+Cc1ccc(cc1F)C#N
+Cc1ccc(cc1F)C(=O)OC
+Cc1ccc2Oc3ccc(C)cc3CC(c2c1)=O
+Cc1ccc2c(ccc(Cl)n2)c1
+Cc1cccc(C(=O)O)c1Br
+Cc1cccc(C(=O)O)c1I
+Cc1cccc(C)c1C(CO)C#N
+Cc1cccc(C)c1N
+Cc1cccc(C)c1NCC(C)O
+Cc1ccccc1-c2c(COC)cc(C(=O)OC)cc2
+Cc1ccccc1-c2cscc2
+Cc1ccn2ccnc2c1
+Cc1ccnc(C)c1
+Cc1cn(C)nc1
+Cc1n(c(C)nc1I)-c2ccnc(Cl)c2
+Cc1n[nH]c(C(=O)O)c1C
+Cc1n[nH]c(c1C)C
+Cc1n[nH]c2c1c(O)nc3ccc(Cl)cc23
+Cc1n[nH]c2c1c(ncn2)Cl
+Cc1n[nH]c2cc([N+]([O-])=O)ccc12
+Cc1nc(-c2cc(F)ccc2)ncc1C(=O)OCC
+Cc1nc(Cl)c(c(Cl)c1C)[N+]([O-])=O
+Cc1nc(Cl)c(c(NCCOCCCc2cnccc2)c1C)[N+]([O-])=O
+Cc1nc(Cl)c(c(c1Cl)C)C#N
+Cc1nc(N)nc2N(C(=O)C=Cc12)CC
+Cc1nc(c[nH]1)C#Cc2cccc(C)c2
+Cc1nc(cc(C)c1C#N)N
+Cc1nc(cc(Cl)c1C#N)Cl
+Cc1nc(ccc1C#C)Cl
+Cc1nc(ccc1C(=O)O)Cl
+Cc1nc(ccc1F)Br
+Cc1nc(ccc1[N+]([O-])=O)Br
+Cc1nc(ccc1[N+]([O-])=O)Cl
+Cc1nc(nc(C)c1)Cl
+Cc1nc(nc(C)c1)NCCCCCN
+Cc1nc(nc(C)c1C)O
+Cc1nc(nc(C)c1O)-n2c(ccc2C)C
+Cc1nc(nc(N)c1C=O)OC
+Cc1nc(nc(c1CC(=O)O)O)S
+Cc1nc2c(C(NC(=O)N2C)=O)[nH]1
+Cc1nc2c(c(N)c1C(=O)OCC)c(c(s2)C)Br
+Cc1nc2cc(F)c(F)cc2cc1
+Cc1nc2ccc(Cl)cc2cc1C
+Cc1nc2ccc(F)cc2n3cnc(C)c13
+Cc1nc2n(c(Cl)c1CC(OC)=O)nc(-c3cc(Cl)ccc3)c2
+Cc1ncc(C)cc1C
+Cc1nccc(C)c1N
+Cc1nn(-c2c(F)cccc2C(=O)OC)cc1C=O
+Cc1nn(cc1C(=O)OCC)-c2c(cccc2F)-c3nccn3C
+Cc1nn(cc1Nc2c([N+]([O-])=O)cnc3ccc(cc23)Br)C
+Cc1nnc(N)[nH]1
+Cc1noc(C)c1-c2cc(C(=O)OC)c3c([nH]c4ccc(OC)cc34)c2
+Cc1noc(C)c1-c2cc(c(N)c(I)c2)[N+]([O-])=O
+Cc1oc(cc1C(=O)OC)-c2cnc(cc2)N
+Cc1oc2cc(N)ccc2c1C(NC)=O
+Cc1onc(-c2ccc(cn2)F)c1C(=O)OCC
+Cc1onc(c1C(=O)OCC)-c2cc(F)ccc2
+Cl
+ClC(=O)CC(Cl)=O
+ClC(Cl)(Cl)C#N
+ClC(Cl)(Cl)C(=O)N1CCN(CC1)c2c(ccc(c2)S(=O)(=O)Cl)OC
+ClC(Cl)(Cl)C(=O)c1cc(c2COCCn12)C(OCC)=O
+ClC(Cl)(Cl)C(Cl)(Cl)Cl
+ClC(Cl)(Cl)C(Cl)=O
+ClC(Cl)(Cl)C(N=C=O)=O
+ClC(Cl)(Cl)C(O)O
+ClC(Cl)(Cl)C(OC)=N
+ClC(Cl)(Cl)C(OCc1ccccc1)=N
+ClC(Cl)(Cl)COC(=O)Cl
+ClC(Cl)(Cl)COC(=O)Nc1cccnn1
+ClC(Cl)(Cl)COC(N1CCC(CC1)=C2c3c(CCc4cc(ccc24)C#N)cccn3)=O
+ClC(Cl)(Cl)COC(Nc1c(c(C)no1)C)=O
+ClC(Cl)(Cl)Cc1c2c(cnc(C)c2)ccc1Cl
+ClC(Cl)(Cl)Cl
+ClC(Cl)(Cl)OC(Cl)=O
+ClC(Cl)(Cl)OC(OC(Cl)(Cl)Cl)=O
+ClC(Cl)(Cl)c1n(c2c(n1)ccc(Br)c2)-c3ccnc(N)n3
+ClC(Cl)(Cl)c1nc2ccccc2[nH]1
+ClC(Cl)(F)Sc1c[nH]c2c1cccc2
+ClC(Cl)=C(Cl)c1cc(cc(C(Cl)=C(Cl)Cl)c1)C
+ClC(Cl)=C(Cl)c1cccc(OC)c1
+ClC(Cl)=CC1C(C(O)=O)C1(C)C
+ClC(Cl)=CCCl
+ClC(Cl)=CCON
+ClC(Cl)=CCOc1cc(Cl)c(c(c1)Cl)OCCCOS(=O)(=O)C
+ClC(Cl)=O
+ClC(Cl)=S
+ClC(Cl)C(=O)OC
+ClC(Cl)Cl
+ClC(Cl)OC
+ClC(c1cc(C)c(cc1)C(=O)O)=NO
+ClC1(Cl)C(Nc2cc(ccc2CC1)OC)=O
+ClC1(Cl)CCc2c(NC1=O)ccc3c2cccc3
+ClC=CCCl
+ClCC(CCl)=O
+ClCC(CCl)O
+ClCC=CCCl
+ClCCCOc1cccc(c1CCC)OCC(OCC)=O
+ClCCCl
+ClCCN(CCCl)C
+ClCCN(CCCl)Cc1ccccc1
+ClCCl
+ClCI
+ClCN
+ClCc1nc(nc(O)c1)-c2ncccc2
+ClCc1ncccc1
+ClCl
+ClI
+ClOCl
+ClP(Cl)(Cl)(Cl)Cl
+ClP(Cl)(Cl)=O
+ClS(Cl)=O
+Cl[Cu]Cl
+Clc1[nH]c2c(n1)cccc2
+Clc1[nH]cnc1
+Clc1c(Br)cc(cc1)O
+Clc1c(Br)ccs1
+Clc1c(C(=O)O)cc(c(Cl)n1)F
+Clc1c(C(=O)OC)cncc1
+Clc1c(C(Cl)=O)c(F)ccc1
+Clc1c(C)c([n+](cc1)[O-])C
+Clc1c(C)ccc(C#N)c1
+Clc1c(C)ccc(C(=O)C)c1
+Clc1c(C)ccc(O)c1
+Clc1c(CCl)c(F)ccc1
+Clc1c(Cl)c(c(c(Cl)c1O)Cl)Cl
+Clc1c(Cl)cc(Cl)c(c1)[N+](=O)[O-]
+Clc1c(Cl)cc(c([N+](=O)[O-])c1)OCC(OCC)=O
+Clc1c(Cl)nccc1
+Clc1c(Cl)nsn1
+Clc1c(F)c(I)ccc1
+Clc1c(F)ccc(O)c1
+Clc1c(F)ncc(O)c1
+Clc1c(N=C=O)cccc1
+Clc1c(O)c(F)cc(c1)Br
+Clc1c([N+]([O-])=O)cc(C#N)cc1
+Clc1c([N+]([O-])=O)cc(C(CBr)=O)cc1
+Clc1c([N+]([O-])=O)cc(cc1)O
+Clc1c(c(Br)ccc1)CBr
+Clc1c(c(F)ccc1)CBr
+Clc1c(c(N=C=O)ccc1)Cl
+Clc1c(c([N+]([O-])=O)ccc1)F
+Clc1c(c(ccc1)C(=O)O)C
+Clc1c(cc(I)c(n1)Cl)C#N
+Clc1c(cc(c(Cl)n1)F)C#N
+Clc1c(cc(c(N)c1)OC)OC
+Clc1c(ccc(C)n1)Br
+Clc1c(ccc(C)n1)C(=O)O
+Clc1c(ccc(O)c1)Br
+Clc1c(ccc(O)c1)C#N
+Clc1c(ccc(O)c1)C(=O)O
+Clc1c(cccn1)-c2ccncn2
+Clc1c(ccnc1)C(=O)O
+Clc1c(cnc(O)c1Br)[N+](=O)[O-]
+Clc1c(ncc(C(=O)O)c1)NN
+Clc1c2OC(CO)Cc2ccc1
+Clc1c2[nH]ccc2ccc1
+Clc1c2c(Cl)nc(cc2ccc1)C#N
+Clc1c2cc[nH]c2ccn1
+Clc1cc(-c2cc(cc(n2)CCl)O)ncc1
+Clc1cc(-c2cc3c(nc(N)[nH]3)cc2)cc(c1)F
+Clc1cc(Br)c(N)c(Cl)c1
+Clc1cc(Br)c(O)c(Cl)c1
+Clc1cc(Br)c(c(c1)F)C#N
+Clc1cc(Br)c(cc1)C=C[N+]([O-])=O
+Clc1cc(Br)c(cc1)O
+Clc1cc(Br)c(cc1)OC
+Clc1cc(Br)c2[nH]ccc2c1
+Clc1cc(Br)c2cc[nH]c2n1
+Clc1cc(Br)cc(C)c1
+Clc1cc(Br)cc(Oc2c(Cl)ccc(CN)c2F)c1
+Clc1cc(Br)cc(Oc2c(N)c(OC)ncc2C(=O)OCC)c1
+Clc1cc(Br)cc(Oc2c(N)nccc2C)c1
+Clc1cc(Br)ncc1[N+](=O)[O-]
+Clc1cc(C#N)c(Cl)cc1
+Clc1cc(C#N)c(cc1)[N+]([O-])=O
+Clc1cc(C#N)cc(C)c1O
+Clc1cc(C#N)cc(Oc2c(c(C)ccc2[N+]([O-])=O)F)c1
+Clc1cc(C#N)ccc1F
+Clc1cc(C#N)ccc1[N+]([O-])=O
+Clc1cc(C(=O)C)c(cc1C)O
+Clc1cc(C(=O)O)c(c(c1)O)C
+Clc1cc(C(=O)OC)c(cc1)-c2nc(C)no2
+Clc1cc(C(=O)OC)c(cc1)C=O
+Clc1cc(C(=O)OC)c(cc1)N=Cc2cc(ccc2)Br
+Clc1cc(C(CC)=O)c(cc1)[N+]([O-])=O
+Clc1cc(C(CC)N)ccc1C#N
+Clc1cc(C(Cl)=O)c(cc1)[N+]([O-])=O
+Clc1cc(C(Nc2cc(c(C)cc2)O)=O)ccc1F
+Clc1cc(C2CC(=O)c3cc(ccc3O2)O)ccc1
+Clc1cc(CNN)c(O)c(I)c1
+Clc1cc(Cl)[n+](cc1C)[O-]
+Clc1cc(Cl)c(C2C(c3ccccc3C(=O)N2C4CCCCC4N)C(O)=O)cc1
+Clc1cc(Cl)c(N)c(I)c1
+Clc1cc(Cl)c(O)c([N+]([O-])=O)c1
+Clc1cc(Cl)nc(C(=O)OC)c1Br
+Clc1cc(Cl)nc2c1C(CCC2)=O
+Clc1cc(Cl)ncc1
+Clc1cc(F)c(CBr)cc1
+Clc1cc(F)c(cc1)Br
+Clc1cc(F)c(cc1)C#N
+Clc1cc(N)c(C(=O)OC)c(Cl)c1
+Clc1cc(N)c(S)cc1
+Clc1cc(N)c(cc1)C#N
+Clc1cc(N)c(cc1)C(=O)O
+Clc1cc(N)c(cc1)C=CC(OC)=O
+Clc1cc(N)c(cc1)O
+Clc1cc(N)c(cc1)OC
+Clc1cc(N)c(cc1)[N+]([O-])=O
+Clc1cc(N)cc(c1)F
+Clc1cc(N=C=O)ccc1F
+Clc1cc(NC(C)=O)c(C(=O)OC)cc1
+Clc1cc(O)c(C=O)c(Cl)c1
+Clc1cc(O)c(cc1)C(=O)O
+Clc1cc(O)ncc1[N+](=O)[O-]
+Clc1cc(OC)c(cc1)C(=O)O
+Clc1cc(S)c(cc1)C(=O)O
+Clc1cc(S)ccc1F
+Clc1cc([N+]([O-])=O)cc(C)c1
+Clc1cc(c(C)cc1)C(=O)O
+Clc1cc(c(Cl)cc1)O
+Clc1cc(c(N)c(Cl)c1)C(=O)O
+Clc1cc(c(N)cc1)C(=O)N
+Clc1cc(c(N)cc1)C(=O)O
+Clc1cc(c(N)cc1)F
+Clc1cc(c(N)cc1)O
+Clc1cc(c(N)cc1Cl)[N+]([O-])=O
+Clc1cc(c([N+](=O)[O-])cc1Cl)F
+Clc1cc(c(cc1)-n2ncnc2)C(=O)O
+Clc1cc(c(cc1)Br)OC
+Clc1cc(c(cc1)C#N)Br
+Clc1cc(c(cc1)C(=O)N)OC
+Clc1cc(c(cc1)C(=O)O)Br
+Clc1cc(c(cc1)C(=O)O)F
+Clc1cc(c(cc1)C=O)F
+Clc1cc(c(cc1)C=O)O
+Clc1cc(c(cc1)N)C(O)c2cccc(c2OC)OC
+Clc1cc(c(cc1)O)C(=O)C
+Clc1cc(c(cc1)O)OC
+Clc1cc(c(cc1)OC)C(CN)=O
+Clc1cc(c(cc1)OC)F
+Clc1cc(c(cc1)[N+]([O-])=O)C(=O)O
+Clc1cc(c(cc1)[N+]([O-])=O)F
+Clc1cc(c2OC(=S)Nc2c1)C(=O)OCC
+Clc1cc(c2c(NCCO2)c1)C(=O)O
+Clc1cc(cc(C#N)c1)O
+Clc1cc(cc(C)c1O)Br
+Clc1cc(cc(CO)c1)Br
+Clc1cc(cc(Cl)c1)C(C)(C)C(=O)OC
+Clc1cc(cc(Cl)c1)C=O
+Clc1cc(cc(Cl)c1)CN
+Clc1cc(cc(Cl)c1)CO
+Clc1cc(cc(Cl)c1)COC(=O)Cl
+Clc1cc(cc(Cl)c1)I
+Clc1cc(cc(Cl)c1)NC(=S)N
+Clc1cc(cc(Cl)c1CCCC(=O)O)Cl
+Clc1cc(cc(Cl)c1Cl)CO
+Clc1cc(cc(Cl)c1N)C#N
+Clc1cc(cc(Cl)c1N2NC(=C3C(=O)N=C(Cc4cc(OC)ccc4)N=C23)C(C)C)Cl
+Clc1cc(cc(Cl)c1Nc2nc3ccncc3c4c2ccnc4O)C(=O)C
+Clc1cc(cc(Cl)c1O)C
+Clc1cc(cc(Cl)c1O)C(OC)=O
+Clc1cc(cc(Cl)c1O)F
+Clc1cc(cc(Cl)c1Oc2cc3c(nc2)ccc(C(O)=O)c3)[N+](=O)[O-]
+Clc1cc(cc(Cl)n1)C(=O)OC
+Clc1cc(cc(Cl)n1)C(O)=O
+Clc1cc(cc(c1)Br)O
+Clc1cc(cc(c1)F)Br
+Clc1cc(cc2cccnc12)Br
+Clc1cc(ccc1)NN
+Clc1cc(ccc1)Nc2nc(-c3cc(Cl)ncc3)ncn2
+Clc1cc(ccc1)Nc2ncnc3[nH]nc(N)c23
+Clc1cc(ccc1)O
+Clc1cc(cnc1)CCN
+Clc1cc(cnc1)O
+Clc1cc(nc(C)c1)N
+Clc1cc2C(CC(=O)OC)CCCN(C(c3cnc(cc3)NC(c4c(cccc4)Cl)=O)=O)c2cc1
+Clc1cc2C(CCCOc2c(C)c1)=O
+Clc1cc2CCC(c2cc1)=O
+Clc1cc2Sc3c(N(C(C(OCC)=O)C)c2cc1)cc(C#N)cc3
+Clc1cc2c(Cl)cc(Cl)nc2cc1
+Clc1cc2c(O)c([N+]([O-])=O)cnc2cc1
+Clc1cc2c(c(sc2cc1)C(CBr)=O)C
+Clc1cc2c(c[nH]c2cc1)CCN
+Clc1cc2c(cc1)N(C(C(=O)O)C)CCC2
+Clc1cc2c(cc1)cc(nc2O)C(=O)OCC
+Clc1cc2c(cc1)ccnc2Cl
+Clc1cc2c(cc1)nc(cc2O)N
+Clc1cc2c(ccnc2cc1)C=O
+Clc1cc2c(nc(nc2Cl)Cl)cc1
+Clc1cc2n(ccn2)cc1
+Clc1cc2n[nH]cc2c(C)n1
+Clc1cc2onc(Cl)c2cc1
+Clc1cc2sc(N)nc2cc1
+Clc1ccc(-c2c(C(C)=O)cccc2)c(F)c1
+Clc1ccc(-n2nc(C)cc2)c(C=O)c1
+Clc1ccc(C#N)c(C)c1
+Clc1ccc(C#N)c(Cl)c1
+Clc1ccc(C#N)c([N+]([O-])=O)c1
+Clc1ccc(C(=O)OC)c([N+]([O-])=O)c1
+Clc1ccc(C(C(N)=O)N)c(Cl)c1
+Clc1ccc(C(C)N)c(Cl)c1
+Clc1ccc(C(Cl)=O)c(Cl)c1
+Clc1ccc(C)c(-c2[nH]c(-c3ccnc(n3)N)cc2C(=O)OCC)c1
+Clc1ccc(C)c(Cl)c1
+Clc1ccc(C)nc1Cl
+Clc1ccc(C2=NNC(=S)N2c3c(Cl)cccc3)c(c1)Cl
+Clc1ccc(C=CC(N)=O)cc1F
+Clc1ccc(C=O)c(Cl)c1
+Clc1ccc(Cl)c(CBr)c1
+Clc1ccc(Cl)c(SCC#C)c1
+Clc1ccc(Cl)c([N+]([O-])=O)c1
+Clc1ccc(F)c(C=O)c1
+Clc1ccc(I)c(Cl)c1
+Clc1ccc(N)c(C2=CC(=O)N3C(CCC3=C2)C(OCC)=O)c1
+Clc1ccc(N)c(C=O)c1
+Clc1ccc(N)c(CO)c1
+Clc1ccc(N)c(Cl)c1
+Clc1ccc(N)c(N)c1
+Clc1ccc(N)c([N+]([O-])=O)c1
+Clc1ccc(N=C=S)c(Cl)c1
+Clc1ccc(O)cc1I
+Clc1ccc(c(-c2[nH]c(C)cn2)c1)Cl
+Clc1ccc(c(-c2c3C(CCc3nc(O)c2)=O)c1)Br
+Clc1ccc(c(-c2oncc2CO)c1)Cl
+Clc1ccc(c(Br)c1)-c2nc3c([nH]2)cccc3
+Clc1ccc(c(C)c1)O
+Clc1ccc(c(C)c1)[N+]([O-])=O
+Clc1ccc(c(C=Cc2ncccc2)c1)O
+Clc1ccc(c(C=O)c1)O
+Clc1ccc(c(CBr)c1)Br
+Clc1ccc(c(CC(OCC)=O)c1)O
+Clc1ccc(c(Cc2ccc(o2)C(=O)OCC)c1)OC
+Clc1ccc(c(Cl)c1)C(=O)O
+Clc1ccc(c(Cl)c1)C(CCl)=O
+Clc1ccc(c(Cl)c1)C=2NC(n3c(ncc3)C=2)=O
+Clc1ccc(c(Cl)c1)CCN
+Clc1ccc(c(Cl)c1)CCl
+Clc1ccc(c(Cl)c1)CN
+Clc1ccc(c(Cl)c1)CN=C=O
+Clc1ccc(c(Cl)c1)O
+Clc1ccc(c(Cl)c1)S
+Clc1ccc(c(Cl)c1)[N+]([O-])=O
+Clc1ccc(c(F)c1)F
+Clc1ccc(c(I)c1)CC(=O)O
+Clc1ccc(c([N+]([O-])=O)c1)Br
+Clc1ccc(c([N+]([O-])=O)c1)C
+Clc1ccc(c([N+]([O-])=O)c1)F
+Clc1ccc(c([N+]([O-])=O)c1)O
+Clc1ccc(c(c1)-c2cc(O)ncc2Cl)C#N
+Clc1ccc(cc1F)O
+Clc1ccc(cc1O)O
+Clc1ccc2CC(Nc2c1)=O
+Clc1ccc2CCCNc2c1
+Clc1ccc2c(C(C(N2CC(OCC)=O)=O)(O)c3cc4c(cc3O)OCC4)c1
+Clc1ccc2c(C(c3cccnc3Cl)=O)c[nH]c2c1
+Clc1ccc2c(C=Cc3sc(nc3C2C=4C(NC(NC=4)=O)=O)C)c1
+Clc1ccc2c(Cl)ccnc2c1
+Clc1ccc2c(NC(CC2)=O)c1
+Clc1ccc2c([nH]cc2C(=O)O)c1
+Clc1ccc2c(c([nH]c2c1)C(=O)OC)N
+Clc1ccc2c(c1)cc(N)c(c2)[N+]([O-])=O
+Clc1ccc2c(cc(C(=O)O)[nH]2)c1
+Clc1ccc2c(cc(C(=O)OCC)[nH]2)c1
+Clc1ccc2c(cc(c(O)n2)C(C)N)c1
+Clc1ccc2c(cc[nH]2)c1
+Clc1ccc2c(ccc(n2)C)c1
+Clc1ccc2c(cnc(Cl)c2)c1
+Clc1ccc2c(n(-c3cn(CCC)nc3)cc2)c1
+Clc1ccc2c(nc(C=Cc3cccc(OC(C(O)=O)C)c3)cc2)c1
+Clc1ccc2c(ncc(Cl)n2)c1
+Clc1ccc2c(nccc2O)c1
+Clc1ccc2c(nncc2c1)O
+Clc1ccc2c[nH]nc2c1
+Clc1ccc2cc(-c3cc(C=O)cnc3)[nH]c2c1
+Clc1ccc2cc[nH]c2c1
+Clc1ccc2ccc(COc3ccc4OCc5c(cccc5)C(O)c4c3)nc2c1
+Clc1ccc2ncccc2c1
+Clc1cccc(C(=NO)Cc2ncncc2)c1
+Clc1cccc(C(=O)O)c1
+Clc1cccc(C(=O)OO)c1
+Clc1cccc(C(=O)c2c(N)ccc(c2)Br)c1
+Clc1cccc(C(C)N)c1
+Clc1cccc(C(CBr)=O)c1
+Clc1cccc(C(CC=C)C=O)c1
+Clc1cccc(C(Cl)=O)c1
+Clc1cccc(C(Nc2cc(c(C)cc2)O)=O)c1
+Clc1cccc(C(O)CN)c1
+Clc1cccc(C)c1O
+Clc1cccc(CBr)c1
+Clc1cccc(CCN)c1
+Clc1cccc(CN)c1
+Clc1cccc(CNc2nc3n(cc(cc3OC)C(=O)OCC)n2)c1
+Clc1cccc(CO)c1
+Clc1cccc(Cl)c1-c2c(nc3nc(N)ncc3c2)N
+Clc1cccc(Cl)c1-c2c(nc3nc(Nc4ccccc4)nc(N)c3c2)O
+Clc1cccc(Cl)c1-c2noc(C(C)C)c2CO
+Clc1cccc(Cl)c1-n2c(c(nn2)C(C)C)CO
+Clc1cccc(Cl)c1C=NO
+Clc1cccc(Cl)c1CC(O)=O
+Clc1cccc(Cl)c1CNc2nc(ncc2)Cl
+Clc1cccc(Cl)c1CO
+Clc1cccc(Cl)c1COc2ccc3[nH]c(cc3c2)C(=O)OCC
+Clc1cccc(Cl)c1N
+Clc1cccc(Cl)c1N=C=O
+Clc1cccc(Cl)n1
+Clc1cccc(F)c1CC(OC)=O
+Clc1cccc(N)c1
+Clc1cccc(N=C=S)c1
+Clc1cccc(S)c1
+Clc1cccc([Mg]Br)c1
+Clc1cccc(c1)-c2c(C(=O)C#C)c3n(n2)cncc3
+Clc1cccc(c1)-c2c3c(ccc(c3)Br)no2
+Clc1cccc(c1)-c2cc(Cl)nc3cc(C)nn23
+Clc1cccc(c1)-c2nc(-n3cnc4c3cc(C=O)cc4)sc2C(=O)OCC
+Clc1cccc(c1)-c2nc(N)sc2C(=O)N
+Clc1cccc(c1)-c2onc(C(=O)C)c2
+Clc1cccc(c1)Br
+Clc1cccc(c1)C#C
+Clc1cccc(c1)C#CC(=O)c2cccnc2
+Clc1cccc(c1)C(=N)N
+Clc1cccc(c1)C(=O)C
+Clc1cccc(c1)C(=O)N
+Clc1cccc(c1)C(=O)c2c(cccn2)C(=O)O
+Clc1cccc(c1)C(CC#N)=O
+Clc1cccc(c1)C(Nc2nc3c(o2)c(cc(c3)C(=O)OC)OC)CF
+Clc1cccc(c1)C=C
+Clc1cccc(c1)C=O
+Clc1cccc(c1)CCl
+Clc1cccc(c1)I
+Clc1cccc(c1)N=C=O
+Clc1cccc(c1)S(O)=O
+Clc1ccnc(C)n1
+Clc1ccnc(CO)c1C
+Clc1ccnc(SC)n1
+Clc1ccnc2c1sc(Br)c2
+Clc1ccnc2c1sc(SC)c2
+Clc1ccnc2c1sc(c2)C=O
+Clc1ccncc1Br
+Clc1ccncc1[N+](=O)[O-]
+Clc1ccsc1C(=O)O
+Clc1cn2cc(nc2cc1)N
+Clc1cnc(-c2cc(N)cc(c2)C(=O)OC)cc1
+Clc1cnc(Br)c(Cl)c1
+Clc1cnc(C#N)c(Cl)c1
+Clc1cnc(C(=O)c2ccnc3[nH]ccc23)c(N)c1
+Clc1cnc(Cl)c(N)c1
+Clc1cnc(Cl)c(c1)C(=O)O
+Clc1cnc(F)c(c1)F
+Clc1cnc(N)c(c1Cl)[N+]([O-])=O
+Clc1cnc(c(Cl)c1)Cl
+Clc1cnc(c(Cl)c1)N
+Clc1cnc(cc1)Br
+Clc1cnc(cc1)C#N
+Clc1cnc(cc1)C(=O)N
+Clc1cnc(cc1)C(=O)O
+Clc1cnc(cc1)C(=O)OC
+Clc1cnc(cc1)Cl
+Clc1cnc(cc1)N
+Clc1cnc(nc1-c2cnn3ccccc23)Cl
+Clc1cnc(nc1Cl)Cl
+Clc1cnc(nc1O)Cl
+Clc1cnc2n(c1)nc(c2)C(=O)O
+Clc1cncc(Cl)c1N
+Clc1cncc(Cl)c1NC(=O)c2ccc(n3nc(cc23)COC4CCCCO4)OC
+Clc1cnn(CC(C(=O)O)CCO)c1
+Clc1cnnc(c1Cl)O
+Clc1nc(C)ccc1C#N
+Clc1nc(C)nc2n[nH]cc12
+Clc1nc(Cl)nc(Cl)n1
+Clc1nc(Cl)nc2c1CSC2
+Clc1nc(Cl)ncc1Br
+Clc1nc(Cl)ncc1C
+Clc1nc(Cl)ncc1F
+Clc1nc(Cl)ncc1[N+]([O-])=O
+Clc1nc(NC)ccc1
+Clc1nc(S)nc(c1)N
+Clc1nc([N+]([O-])=O)ccc1
+Clc1nc(ccc1)N
+Clc1nc(nc(Cl)c1)C
+Clc1nc(nc(Cl)c1)Cl
+Clc1nc(nc(Cl)c1)S(=O)(=O)C
+Clc1nc(nc(Cl)c1CC(=O)OCC)N
+Clc1nc(nc(Cl)c1F)CC
+Clc1nc(nc(Cl)c1F)Cl
+Clc1nc(nc(Cl)c1N)N
+Clc1nc(nc(Cl)c1Oc2c(cccc2)OC)C3CC3
+Clc1nc(nc(Cl)n1)C
+Clc1nc(nc(Cl)n1)OC
+Clc1nc(nc(c1C#N)N)SC
+Clc1nc(nc2ccc(COC(C)=O)nc12)Cl
+Clc1nc(nc2ccn(C)c12)Cl
+Clc1nc(nc2n(cnc12)CC)Cl
+Clc1nc(nc2n[nH]cc12)Cl
+Clc1nc2c(cc(cc2C)F)nc1Cl
+Clc1nc2c(nc(Cl)nc2nc1Cl)Cl
+Clc1ncc(Br)c(SC)n1
+Clc1ncc(F)c(C(=O)C)n1
+Clc1ncc(F)c(SC)n1
+Clc1ncc([nH]1)[N+](=O)[O-]
+Clc1ncc(c(c1Cl)SC)-c2oc(cn2)CC
+Clc1ncc2c(c(Br)cs2)n1
+Clc1ncc2c(c(C(=O)O)cs2)n1
+Clc1ncc2c(n[nH]c2)c1
+Clc1ncc2c(n[nH]c2)n1
+Clc1nccc(Br)c1
+Clc1nccc(C(=O)C)c1
+Clc1nccc(C(=O)O)c1
+Clc1nccc(C(=O)O)n1
+Clc1nccc(C)c1
+Clc1nccc(C)n1
+Clc1nccc(CCl)n1
+Clc1nccc(F)c1
+Clc1nccc(O)c1
+Clc1nccc(c1)C(=O)OC
+Clc1nccc(c1)NN
+Clc1nccc(c1)[N+](=O)[O-]
+Clc1ncccc1
+Clc1ncnc(Cl)c1C=O
+Clc1ncnc(Cl)c1F
+Clc1ncnc(Cl)n1
+Clc1ncnc(c1)N
+Clc1nnc(Cl)cc1Br
+Cn1cccn1
+F
+FC(F)(Br)C(OCC)=O
+FC(F)(C(=O)O)Cl
+FC(F)(C(=O)O)S(=O)(=O)F
+FC(F)(C(=O)OCC)CNC1CCC1
+FC(F)(C(C)(C)O)CCCCCCCCCCCCCCCC
+FC(F)(C(C)(C)OC(OCC)C)CCOC(C)=O
+FC(F)(C(F)Cl)C(=O)Cl
+FC(F)(C(F)F)CO
+FC(F)(C(OCC)=O)C
+FC(F)(C)C(=O)NN
+FC(F)(C)C(=O)O
+FC(F)(C)CC(C(=O)OC)N
+FC(F)(C)c1sc2nc(cn2n1)C(OCC)=O
+FC(F)(CCC(OCC)=O)Cl
+FC(F)(CO)CO
+FC(F)(Cl)c1ncc(C(=O)O)cc1
+FC(F)(F)C#C
+FC(F)(F)C(=CC#N)N
+FC(F)(F)C(=CC(=O)c1sc(C(OC)=O)c2CCCCc12)c3cc(Cl)cc(Cl)c3
+FC(F)(F)C(=CC(OCC)=O)N
+FC(F)(F)C(=O)C
+FC(F)(F)C(=O)C(Br)Br
+FC(F)(F)C(=O)C(C(=O)OCC)C
+FC(F)(F)C(=O)CBr
+FC(F)(F)C(=O)CC(=O)C
+FC(F)(F)C(=O)CC(=O)OCC
+FC(F)(F)C(=O)CCC1CCC(F)(F)CC1
+FC(F)(F)C(=O)N1C2CCC1CC(C2)c3ccnc4n3nc(-c5ccncc5)c4I
+FC(F)(F)C(=O)N1CCN(CC1)C(c2nccs2)=O
+FC(F)(F)C(=O)N1CCc2cc(ccc2C(C)C1)OC
+FC(F)(F)C(=O)N1CCc2ccc(CC(=O)OC)cc2C1
+FC(F)(F)C(=O)N1CCc2ccccc2CC1
+FC(F)(F)C(=O)NC1CCCNCC1
+FC(F)(F)C(=O)NC1Cc2c(OC1)c(ccc2OC)S(=O)(=O)Cl
+FC(F)(F)C(=O)NC1c2cc(F)ccc2C(O)CC1
+FC(F)(F)C(=O)NCC1CCCNC1
+FC(F)(F)C(=O)NCCc1nc(-c2ccc(cc2)Br)oc1
+FC(F)(F)C(=O)NCc1ccc(c(C2CCNCC2)c1)F
+FC(F)(F)C(=O)Nc1c(c(c(c(c1OC)F)I)C)C#N
+FC(F)(F)C(=O)Nc1cc(CC(N2CCCC2)=O)nn1CC
+FC(F)(F)C(=O)Nc1cn2ccncc2n1
+FC(F)(F)C(=O)Nc1cn2nc(ccc2n1)Cl
+FC(F)(F)C(=O)OC(C(F)(F)F)=O
+FC(F)(F)C(=O)OCC
+FC(F)(F)C(=O)Oc1cccc(I)c1OC(C(F)(F)F)=O
+FC(F)(F)C(=O)c1cc(Cl)c(c(Cl)c1)F
+FC(F)(F)C(=S)N
+FC(F)(F)C(Br)=C
+FC(F)(F)C(C(Br)C)=O
+FC(F)(F)C(C(Cl)C(OCC)=O)=O
+FC(F)(F)C(C(NC(=O)OCc1ccccc1)C(=O)O)C
+FC(F)(F)C(C(OCC)=O)(O)CC
+FC(F)(F)C(C)(C(O)=O)O
+FC(F)(F)C(C)(C)N
+FC(F)(F)C(C)(C)c1c(ccc(Cl)c1)OC
+FC(F)(F)C(C)(c1ccc(cc1)Br)O
+FC(F)(F)C(C)=C
+FC(F)(F)C(C)Oc1c(cnc(C(O)=O)c1)C2CCC2
+FC(F)(F)C(C1=CC(=O)C(OCc2ccccc2)=CN1C)O
+FC(F)(F)C(CC(C)(C)c1c(OC)ccc(F)c1)(CO)O
+FC(F)(F)C(CC(c1ccc(cc1)Br)=O)=O
+FC(F)(F)C(CN)(CN)O
+FC(F)(F)C(COC(=O)CCC)(CNCc1ccccc1)O
+FC(F)(F)C(Cl)=CC1C(C)(C)C1C(O)=O
+FC(F)(F)C(F)(F)C(F)(F)c1c(c(n[nH]1)C)[N+](=O)[O-]
+FC(F)(F)C(F)(F)C(O)=O
+FC(F)(F)C(F)(F)CCCCCO
+FC(F)(F)C(F)(F)I
+FC(F)(F)C(N)=O
+FC(F)(F)C(N)C
+FC(F)(F)C(N1CC2(CCNCC2)OCC1)=O
+FC(F)(F)C(N1CC2c3c(C(C1)C2)cc(c([N+](=O)[O-])c3)[N+](=O)[O-])=O
+FC(F)(F)C(N1CCC(CC1)C(c2ccc(cc2)Br)=O)=O
+FC(F)(F)C(N1CCC(CC1)N(Cc2cc3OCCOc3cc2)C(=O)OC(C)(C)C)=O
+FC(F)(F)C(N1CCc2ccc(cc2CC1)OC)=O
+FC(F)(F)C(NC(C(=O)Cl)C)=O
+FC(F)(F)C(NC(Cc1ccccc1)C)=O
+FC(F)(F)C(NCC1(CCN(CC1)C(OC(C)(C)C)=O)c2ccc(cc2)I)=O
+FC(F)(F)C(NCO)=O
+FC(F)(F)C(NCc1ccc(c(C(=O)N)c1)Cl)=O
+FC(F)(F)C(Nc1c(C(=O)OC)sc(c1)C(C2CCOCC2)=O)=O
+FC(F)(F)C(Nc1ccc(cc1)CCCC(=O)N(C)C)=O
+FC(F)(F)C(Nc1ccc(cc1)I)=O
+FC(F)(F)C(Nc1n[nH]c(CC(Nc2cccc(F)c2)=O)c1)=O
+FC(F)(F)C(Nc1ncc(c2c1c3ccc(I)cc3[nH]2)C(=O)N)C4CC4
+FC(F)(F)C(O)(C(OCC)=O)CC(C)(C)c1ccc(c(F)c1OC)Cl
+FC(F)(F)C(O)(Cc1c(cccc1)OC)C#N
+FC(F)(F)C(O)(c1cc2cnn(c2cc1)-c3ccc(cc3)F)c4c5ncnc(c5n(c4)CC=C)Cl
+FC(F)(F)C(O)(c1ccc(cc1)OCc2ccccc2)C
+FC(F)(F)C(O)=O
+FC(F)(F)C(O)C
+FC(F)(F)C(O)c1c(cc(cc1)Cl)-n2ccc(C)n2
+FC(F)(F)C(OC)(OC)CCc1ccc(cc1)O
+FC(F)(F)C(c1cc(Cl)c(Cl)c(c1Cl)Cl)=C
+FC(F)(F)C(c1cc(Cl)c(c(Cl)c1)Cl)Br
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)F)=C
+FC(F)(F)C(c1cc(Cl)cc(c1)Cl)=C
+FC(F)(F)C(c1ccc(cc1)Br)O
+FC(F)(F)C(c1cnc(nc1)Cl)(C)O
+FC(F)(F)C(n1c(COC2OCCCC2)nc3cnc(cc13)Cl)C
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(c(N=C=S)c2)Cl
+FC(F)(F)C1(CC1)C(=O)O
+FC(F)(F)C1(CC1)COS(=O)(=O)C
+FC(F)(F)C1(CCC(CC1)C(O)=O)O
+FC(F)(F)C1(CCC2(CC1)C(=O)NC(=O)N2)OC
+FC(F)(F)C1(CCN(C1)Cc2ccccc2)c3cc(Cl)cc(c3)Cl
+FC(F)(F)C1(OC1)CNC(c2cnn(-c3ccc(cc3)F)c2N)=O
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(C(O)=O)c(c3)C
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)Oc3c(cc([N+]([O-])=O)cc3)C1
+FC(F)(F)C1=CC(=O)N(c2c(OCC#C)cc(cc2F)Cl)C(=O)N1C
+FC(F)(F)C1=CC(=O)N(c2ccc(cc2F)Br)c3nccn13
+FC(F)(F)C1CC(O)(CN)CCC1
+FC(F)(F)C1CCC(CC1)C(O)=O
+FC(F)(F)C1CCC(CC1)N
+FC(F)(F)C1CCC(CC1)O
+FC(F)(F)C1CCN(c2ccccc12)C(C)C(=O)OCC
+FC(F)(F)C1CCNCC1
+FC(F)(F)C1CO1
+FC(F)(F)C1Oc2c(cc(C)cc2C=O)C=C1C(OCC)=O
+FC(F)(F)C=1C=C(N(c2cc(ccc2Cl)C(=O)OCC)C(N=1)=O)C
+FC(F)(F)C=1N(C(=O)N(c2cc(c(cc2F)[N+]([O-])=O)F)C(=O)C=1)C
+FC(F)(F)C=1N(C)NC(=O)C=1
+FC(F)(F)C=1N=C(N(C)C)OC(=O)C=1
+FC(F)(F)C=1NC(=O)N(C(C=1)=O)c2c(c(c(Cl)cc2F)C)[N+](=O)[O-]
+FC(F)(F)C=Cc1ccc(C(O)=O)c(C)c1
+FC(F)(F)CC(C)(C)CC#N
+FC(F)(F)CC(C)CN
+FC(F)(F)CC(Nc1ccc(cc1)S)=O
+FC(F)(F)CC(O)=O
+FC(F)(F)CC=O
+FC(F)(F)CCBr
+FC(F)(F)CCC(=O)CC#N
+FC(F)(F)CCC(=O)O
+FC(F)(F)CCC(C#N)C#N
+FC(F)(F)CCCBr
+FC(F)(F)CCCI
+FC(F)(F)CCCN
+FC(F)(F)CCCS(=O)(=O)Cl
+FC(F)(F)CCI
+FC(F)(F)CCN
+FC(F)(F)CCN1CCN(CC1)c2cc(Cl)ccc2N
+FC(F)(F)CCO
+FC(F)(F)CCS(=O)(=O)CCCCl
+FC(F)(F)CCSCCC(O)=O
+FC(F)(F)CCc1c(ccc(C(=O)C)c1O)OCCCOc2cc(ccc2)[N+]([O-])=O
+FC(F)(F)CI
+FC(F)(F)CN
+FC(F)(F)CN1C=C(C(=O)O)C(=O)C(c2ccc(cc2)F)=C1
+FC(F)(F)CN1CCC(CC1)=O
+FC(F)(F)CN=C=S
+FC(F)(F)CNC(CN)=O
+FC(F)(F)CNCC
+FC(F)(F)CO
+FC(F)(F)COCc1nc(nc(C(=O)OCC)c1)Cl
+FC(F)(F)COP(OCC(F)(F)F)(CC(OC)=O)=O
+FC(F)(F)COc1c(C)c(CCl)ncc1
+FC(F)(F)COc1c(C)cc(cn1)C(C)N
+FC(F)(F)COc1c(Cl)cnc(c1)C(O)=O
+FC(F)(F)COc1c([N+]([O-])=O)ccc(CC(O)=O)c1
+FC(F)(F)COc1c(cccc1C)Cl
+FC(F)(F)COc1cc(ccc1Br)C(=O)OC
+FC(F)(F)COc1cccc(n1)C(O)=O
+FC(F)(F)COc1ccnc(c1C)CSc2nc3ccccc3[nH]2
+FC(F)(F)COc1ncc(cc1Br)C(=O)OC
+FC(F)(F)CSc1cc(N)ccc1C
+FC(F)(F)Cc1ccc(cc1)Br
+FC(F)(F)Cc1ccc(cc1)N
+FC(F)(F)Cc1cccc(c1OC)C
+FC(F)(F)Cn1c(ncn1)-c2sc3CCOc4c(ccc(c4)Br)-c3n2
+FC(F)(F)OCCOS(=O)(=O)C(F)(F)F
+FC(F)(F)Oc1c(B(O)O)cccc1
+FC(F)(F)Oc1c(Br)cccc1
+FC(F)(F)Oc1c(F)cc(Br)cc1
+FC(F)(F)Oc1c(F)cc(cc1)C(c2ncccc2F)N
+FC(F)(F)Oc1c(NC(=O)CCl)cc([N+](=O)[O-])cc1
+FC(F)(F)Oc1c(O)ccc(c1)C(OC)=O
+FC(F)(F)Oc1c(OC)c(cc(C(=O)O)c1)C=O
+FC(F)(F)Oc1c(cc(cc1)S(=O)(=O)N)[N+](=O)[O-]
+FC(F)(F)Oc1cc(C#N)cc(c1)C(=O)Cl
+FC(F)(F)Oc1cc(C(=O)O)cc(Cl)c1
+FC(F)(F)Oc1cc(C(=O)O)ccc1
+FC(F)(F)Oc1cc(N2CCN(C(CC2)=O)C(CC=O)C(OC)=O)ccc1
+FC(F)(F)Oc1cc(c(cc1)OC2=CC(=O)N(C(C(O)=O)CC3CCCCC3)N=C2)Cl
+FC(F)(F)Oc1cc(ccc1)Oc2c(C)cc(cc2)N
+FC(F)(F)Oc1cc(ccc1S(=O)(=O)Cl)Br
+FC(F)(F)Oc1cc2cc(C(=O)OCC)[nH]c2c([N+](=O)[O-])c1
+FC(F)(F)Oc1ccc(C(COC)N)cc1F
+FC(F)(F)Oc1ccc(C(O)=O)cc1N
+FC(F)(F)Oc1ccc(C=CC(O)=O)c(Cn2nnc(C)n2)c1
+FC(F)(F)Oc1ccc(F)c(c1)CC(=O)O
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C)n2)C(OCC)=O
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(n2)C)CCC(OCC)=O
+FC(F)(F)Oc1ccc(cc1)-n2nc(nc2)-c3ccc(cc3)CCCN4C(=O)c5ccccc5C4=O
+FC(F)(F)Oc1ccc(cc1)B(O)O
+FC(F)(F)Oc1ccc(cc1)C(Cl)=O
+FC(F)(F)Oc1ccc(cc1)C=O
+FC(F)(F)Oc1ccc(cc1)CC(=O)N2CC(CC2)N
+FC(F)(F)Oc1ccc(cc1)CC(O)=O
+FC(F)(F)Oc1ccc(cc1)CNCCCO
+FC(F)(F)Oc1ccc(cc1)CO
+FC(F)(F)Oc1ccc(cc1)C[Zn+]
+FC(F)(F)Oc1ccc(cc1)I
+FC(F)(F)Oc1ccc(cc1)N
+FC(F)(F)Oc1ccc(cc1)N=C=O
+FC(F)(F)Oc1ccc(cc1)NCC(C)NC(OCc2ccccc2)=O
+FC(F)(F)Oc1ccc(cc1)O
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Cl
+FC(F)(F)Oc1ccc(cc1CN)COC
+FC(F)(F)Oc1ccc2c(cccn2)c1
+FC(F)(F)Oc1ccc2nc(Nc3nc4c(n3C)ccc(C(OC)=O)c4)sc2c1
+FC(F)(F)Oc1cccc(B(O)O)c1
+FC(F)(F)Oc1cccc(CBr)c1
+FC(F)(F)Oc1cccc(CC(O)=O)c1
+FC(F)(F)Oc1cccc(c1)I
+FC(F)(F)Oc1ccccc1C#N
+FC(F)(F)Oc1ccccc1C(=O)Cl
+FC(F)(F)Oc1ccccc1C=O
+FC(F)(F)Oc1ccccc1S
+FC(F)(F)S(=O)(=O)N(S(=O)(=O)C(F)(F)F)c1ccccc1
+FC(F)(F)S(=O)(=O)Nc1ccccc1
+FC(F)(F)S(=O)(=O)OC
+FC(F)(F)S(=O)(=O)OC1=C(CCC1)C(=O)OCC
+FC(F)(F)S(=O)(=O)OC1=C(CN(CC1)C(=O)OC(C)(C)C)C(OC)=O
+FC(F)(F)S(=O)(=O)OC1=CC(C)(C)C(C)(C)C1
+FC(F)(F)S(=O)(=O)OC1=CC2CCC(N2C(=O)OC(C)(C)C)C1
+FC(F)(F)S(=O)(=O)OC1=CCC2(CCCC2)CC1
+FC(F)(F)S(=O)(=O)OC1=CCC2(OCCO2)CC1
+FC(F)(F)S(=O)(=O)OC1=CCCC1
+FC(F)(F)S(=O)(=O)OC1=NN(C(C)C)C(C=C1)=O
+FC(F)(F)S(=O)(=O)OC=1CCCC=1C(=O)OC
+FC(F)(F)S(=O)(=O)OCC(CF)C
+FC(F)(F)S(=O)(=O)OCC(F)(F)F
+FC(F)(F)S(=O)(=O)OCC(F)F
+FC(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)F
+FC(F)(F)S(=O)(=O)O[Si](C)(C)C(C)(C)C
+FC(F)(F)S(=O)(=O)Oc1c(C(OC)=O)cc(Cc2c(c(c(OC)c(OC)c2OC)OC)C)cc1
+FC(F)(F)S(=O)(=O)Oc1c(C)c(cc2c1cc(Cl)cc2)CC(=O)OC
+FC(F)(F)S(=O)(=O)Oc1c(C23CC4CC(CC(C4)C2)C3)cc5cc(-c6ccc(cc6)C(OC)=O)ccc5c1
+FC(F)(F)S(=O)(=O)Oc1c(C=O)ccc(F)c1OCCCOCc2ccccc2
+FC(F)(F)S(=O)(=O)Oc1c(Cl)c2cc(C(F)F)n(c2cc1)S(=O)(=O)c3ccccc3
+FC(F)(F)S(=O)(=O)Oc1c(cc(C)cc1)[N+](=O)[O-]
+FC(F)(F)S(=O)(=O)Oc1c(cc(c(C)c1[N+]([O-])=O)Cl)C(=O)C
+FC(F)(F)S(=O)(=O)Oc1c2c(ccc1Cl)CCN(CC2)C(=O)C(F)(F)F
+FC(F)(F)S(=O)(=O)Oc1c2nc(CCC(OC)=O)ccc2ccc1
+FC(F)(F)S(=O)(=O)Oc1c2ncccc2c(Cl)cc1C(=O)N(OC)C
+FC(F)(F)S(=O)(=O)Oc1cc(C)c(c(C)c1)Cc2ccc(c(c2)C(C)C)OCOC
+FC(F)(F)S(=O)(=O)Oc1cc(C2CCN(CC2)CCC)ccc1
+FC(F)(F)S(=O)(=O)Oc1cc(F)c(c(c1)F)C(C)(C)C(F)(F)F
+FC(F)(F)S(=O)(=O)Oc1cc(c2c(n(nc2)C(C)C)n1)C(=O)OCC
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1)-c2c(scc2)C#N
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1)CC2C(c3nc(c(-c4ccccc4)o3)-c5ccccc5)=CCC2
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1-c2c(F)ccc(OC)c2)OC(OC(C)(C)C)=O
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1C(OC)=O)OC
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1C)C(C)C
+FC(F)(F)S(=O)(=O)Oc1cc(nn1CC)-c2cnccc2
+FC(F)(F)S(=O)(=O)Oc1cc2c(-c3ccc4c(ccc(OC)c4)c3C(O2)c5ccc(cc5)OCCN6CCCCC6)cc1
+FC(F)(F)S(=O)(=O)Oc1cc2c(c(CC(=O)OCC)c1)CCCC2
+FC(F)(F)S(=O)(=O)Oc1cc2c(c(Cl)ccc2cc1)CC(=O)OCC
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)ccc(OC)c2
+FC(F)(F)S(=O)(=O)Oc1cc2ccc(c(CC(OCC)=O)c2cc1)Cl
+FC(F)(F)S(=O)(=O)Oc1ccc(C=O)cc1Cl
+FC(F)(F)S(=O)(=O)Oc1ccc(CCC#N)cc1CC(C)C
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2ccc(cc2)C3(CC3)C(OC)=O
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)C(C)(C)C
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)C2(CCN(CC2)Cc3ccccc3)c4cc(OC)ccc4
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)CC(OCC)C(OCC)=O
+FC(F)(F)S(=O)(=O)Oc1ccc2N(C(=O)C(C)(C)C(=O)N(c2c1)C)CC
+FC(F)(F)S(=O)(=O)Oc1ccc2c(c(C(NC)=O)c(-c3ccc(cc3)F)o2)c1
+FC(F)(F)S(=O)(=O)Oc1ccc2c(ccc(OS(=O)(=O)C)c2)c1C(=O)c3ccc(cc3)OCCN4CCCCC4
+FC(F)(F)S(=O)(=O)Oc1cccc(C)c1[N+]([O-])=O
+FC(F)(F)S(=O)(=O)Oc1n(C)nc(C)c1C
+FC(F)(F)S(=O)(=O)Oc1nc2c(-c3cc4c(o3)cccc4)ccnc2cc1
+FC(F)(F)S(=O)(=O)Oc1nc2c(cc1)nccc2-c3ccncc3
+FC(F)(F)S(=O)(=O)Oc1nn(C(C)(C)C)c2ccnc(c12)OC
+FC(F)(F)S(=O)(=O)c1ccc(cc1)N
+FC(F)(F)S(=O)c1ccc(cc1)O
+FC(F)(F)Sc1ccc(Cl)nc1
+FC(F)(F)Sc1ccc(cc1)N
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(Cc3ccnc(S(=O)(=O)C)n3)C2=O
+FC(F)(F)Sc1ccc(cc1)N2C(N(Cc3ccnc(c3)Cl)C(C)(C)C2=O)=O
+FC(F)(F)[Si](C)(C)C
+FC(F)(F)c1[n+]([O-])c(c(CN2N=C3N(C=CC(c4ccc(cc4)Cl)=C3c5ccncc5)C2=O)cc1)C
+FC(F)(F)c1[nH]c(nc1)-c2c(Cl)cc(cn2)Br
+FC(F)(F)c1[nH]c2c(c1)cc(C#N)cn2
+FC(F)(F)c1[nH]ncc1
+FC(F)(F)c1[nH]ncc1C(OCC)=O
+FC(F)(F)c1c(-n2cnc(C)c2)ccc([N+]([O-])=O)c1
+FC(F)(F)c1c(Br)ccc(N)c1
+FC(F)(F)c1c(Br)ccc([N+](=O)[O-])c1
+FC(F)(F)c1c(C#N)c(ccc1)F
+FC(F)(F)c1c(C#N)cc(cc1)F
+FC(F)(F)c1c(C#N)ccc(c1)N
+FC(F)(F)c1c(C#N)ccc2n(C(C)C(=O)OC)c(cc12)C
+FC(F)(F)c1c(C(=O)Cl)cccc1
+FC(F)(F)c1c(C(=O)O)ccc(N)c1
+FC(F)(F)c1c(C(=O)OC)c(ccn1)N=[N+]=[N-]
+FC(F)(F)c1c(C(C)=O)cnc(Cl)n1
+FC(F)(F)c1c(C(NC(CNC(=O)OC(C)(C)C)C(OC)=O)=O)cn(C)n1
+FC(F)(F)c1c(C(O)=O)oc(-c2ccccc2)n1
+FC(F)(F)c1c(C)c(-c2ccc(cc2)OC)nc3n1ncc3C(=O)O
+FC(F)(F)c1c(C)c([N+](=O)[O-])ccc1
+FC(F)(F)c1c(C)ccc(c1)N
+FC(F)(F)c1c(C=O)ccc(F)c1
+FC(F)(F)c1c(CBr)cccc1
+FC(F)(F)c1c(Cl)ccc(O)c1
+FC(F)(F)c1c(Cl)ccc(c1)C(=O)O
+FC(F)(F)c1c(Cl)cccc1C
+FC(F)(F)c1c(Cl)ccnc1Cl
+FC(F)(F)c1c(Cl)nc(Cl)nc1
+FC(F)(F)c1c(Cl)nc(Nc2ccc(cc2)C3CCN(CC3)C(=O)OC(C)(C)C)nc1
+FC(F)(F)c1c(Cl)nccc1
+FC(F)(F)c1c(F)c(F)c(-c2nc(c(s2)CCl)C)cc1
+FC(F)(F)c1c(F)c(O)ccc1
+FC(F)(F)c1c(F)c(ccc1)C(=O)O
+FC(F)(F)c1c(F)cc(CC(O)=O)cc1
+FC(F)(F)c1c(F)cc(cc1)C(=O)O
+FC(F)(F)c1c(F)cc(cc1)C=O
+FC(F)(F)c1c(NC2CCNCC2)cccc1
+FC(F)(F)c1c(O)nc2ccc(OC)cc2n1
+FC(F)(F)c1c(OC)nc(C(=O)O)c(c1)-n2c(C)ccc2C
+FC(F)(F)c1c(OCCOC2CCCCO2)ccc(Br)c1
+FC(F)(F)c1c([N+]([O-])=O)cc(C(=O)CBr)cc1
+FC(F)(F)c1c([N+]([O-])=O)cc(C(O)=O)cc1
+FC(F)(F)c1c(c(cc(C(O)=O)c1)Cl)N
+FC(F)(F)c1c(c(ccc1)CBr)C
+FC(F)(F)c1c(c(ccc1)Cl)N
+FC(F)(F)c1c(cc(Br)cc1)C
+FC(F)(F)c1c(cc(N)c([N+](=O)[O-])c1)OCC
+FC(F)(F)c1c(cc(cc1F)Br)F
+FC(F)(F)c1c(ccc(-c2[nH]c(N3CCN(CC3)Cc4ccccc4)nc2)c1)F
+FC(F)(F)c1c(ccc(Br)c1)C=NO
+FC(F)(F)c1c(ccc(C#N)c1)N2CCCCC2C
+FC(F)(F)c1c(ccc(C(=O)O)c1)C
+FC(F)(F)c1c(ccc(CC(=O)O)c1)Br
+FC(F)(F)c1c(ccc(Cl)c1)N
+FC(F)(F)c1c(ccc(N=C=O)c1)Cl
+FC(F)(F)c1c(ccc(NC2CCC(CC2)O)c1)[N+]([O-])=O
+FC(F)(F)c1c(ccc(OC)n1)[N+]([O-])=O
+FC(F)(F)c1c(ccc([N+]([O-])=O)c1)F
+FC(F)(F)c1c(ccc(c1)Br)C#N
+FC(F)(F)c1c(ccc(c1)F)[N+]([O-])=O
+FC(F)(F)c1c(ccc(c1)N)F
+FC(F)(F)c1c(ccc(c1)OC)N
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)N(COC)c2c(ncc(c2)Cl)Br)Cl
+FC(F)(F)c1c(ccc(c1)[N+](=O)[O-])N
+FC(F)(F)c1c(cccc1)-c2c3CC(Oc3ccc2)COS(=O)(=O)c4ccc(cc4)C
+FC(F)(F)c1c(cccc1)Br
+FC(F)(F)c1c(cccc1)C(Oc2cc(-n3c4cc(CO)ccc4nc3)sc2C(OC)=O)C
+FC(F)(F)c1c(cccc1)C(Oc2cc(sc2C(OC)=O)-n3cnc4cnc(cc34)CO[Si](C)(C)C(C)(C)C)C
+FC(F)(F)c1c(cccc1)C=O
+FC(F)(F)c1c(cccc1)CC(NC(=O)OC(C)(C)C)CN2C(c3ccccc3C2=O)=O
+FC(F)(F)c1c(cnn1-c2cccc(-c3c(C=O)ccc(c3)F)n2)C(OCC)=O
+FC(F)(F)c1c(cnn1-c2nc(-c3ccccc3O)ccc2)C(=O)OCC
+FC(F)(F)c1c(nc(Cl)nc1)NC
+FC(F)(F)c1c(nc(cc1)NCCCO)Cl
+FC(F)(F)c1c(nccc1)O
+FC(F)(F)c1c2CCCCc2[nH]n1
+FC(F)(F)c1c2OC(Nc2ccc1)=S
+FC(F)(F)c1c2c([nH]n1)CC(C)(C)CC2=O
+FC(F)(F)c1c2c(c(Cl)ccn2)ccc1
+FC(F)(F)c1c2c(ccc1)c(nc(n2)C)-c3cc(ccc3Cl)O
+FC(F)(F)c1c2c(ncnc2[nH]c1)Cl
+FC(F)(F)c1c2nccc(c2ccc1)O
+FC(F)(F)c1cc(-c2ccc(cc2)-c3cc(ccc3)S(=O)(=O)C)n(n1)CC(OCC)=O
+FC(F)(F)c1cc(-c2ccc(cc2)CCO)n(-c3ccc(cc3)Cl)n1
+FC(F)(F)c1cc(-c2nc(N)sn2)ccc1F
+FC(F)(F)c1cc(-c2sc3cc(C)ccc3n2)ccc1-c4ccccc4
+FC(F)(F)c1cc(-n2c(nc(C)c2)C)ccc1N
+FC(F)(F)c1cc(Br)c(I)c(N)c1
+FC(F)(F)c1cc(Br)c(nc1)N
+FC(F)(F)c1cc(Br)cc(F)c1
+FC(F)(F)c1cc(C#C[Si](C)(C)C)c(N)cc1F
+FC(F)(F)c1cc(C#N)cc(c1)F
+FC(F)(F)c1cc(C#N)nc(C(C)C)n1
+FC(F)(F)c1cc(C(=O)Nc2cc(-c3n4c(cc(n4)-c5ccncc5)ncc3)ccc2)cc([N+](=O)[O-])c1
+FC(F)(F)c1cc(C(=O)Nc2cc(N)c(cc2)C)ccc1
+FC(F)(F)c1cc(C(=O)O)c(cc1)NC(=O)NCC
+FC(F)(F)c1cc(C(=O)O)n(-c2c(Cl)cccc2)n1
+FC(F)(F)c1cc(C(=O)OC)ccc1-c2cscc2C
+FC(F)(F)c1cc(C(=O)OC)ccc1CC2CCCCC2
+FC(F)(F)c1cc(C(F)(F)F)c(CBr)cc1
+FC(F)(F)c1cc(C(NCC(=O)NC2CNC2)=O)ccc1
+FC(F)(F)c1cc(C(O)=O)c(cc1)Cl
+FC(F)(F)c1cc(C(O)=O)c2ccccc2n1
+FC(F)(F)c1cc(C(O)=O)ccc1F
+FC(F)(F)c1cc(C(O)=O)ccc1OCC2CC2
+FC(F)(F)c1cc(C(OC)OC)c(cc1)Oc2cc(CC(=O)OC)ccc2
+FC(F)(F)c1cc(C2(CC2)N)ccc1
+FC(F)(F)c1cc(C=NO)c(F)cc1
+FC(F)(F)c1cc(CBr)ccc1
+FC(F)(F)c1cc(CC(=O)O)ccc1F
+FC(F)(F)c1cc(Cl)c(c(Cl)c1)-c2nn(C)c(SC)c2
+FC(F)(F)c1cc(Cl)ccc1
+FC(F)(F)c1cc(Cl)ccc1CBr
+FC(F)(F)c1cc(Cl)ccc1CC(O)=O
+FC(F)(F)c1cc(Cl)nc(c1)Cl
+FC(F)(F)c1cc(Cl)ncn1
+FC(F)(F)c1cc(F)c(B(O)O)cc1
+FC(F)(F)c1cc(F)c(NN)c(Cl)c1
+FC(F)(F)c1cc(F)c(c(c1)Cl)[N+]([O-])=O
+FC(F)(F)c1cc(F)c(c(c1)F)[N+](=O)[O-]
+FC(F)(F)c1cc(F)c(cc1)Br
+FC(F)(F)c1cc(F)ccc1N
+FC(F)(F)c1cc(F)ccc1O
+FC(F)(F)c1cc(F)ncc1
+FC(F)(F)c1cc(I)c2c(ncn2-c3ccccc3)c1
+FC(F)(F)c1cc(N)c(C(=O)N)cc1
+FC(F)(F)c1cc(N)c(cc1Cl)N
+FC(F)(F)c1cc(N)cc(c1)N
+FC(F)(F)c1cc(N)cc(c1NC(=O)C)Br
+FC(F)(F)c1cc(N2C(C)=CC=C(C2=O)C(=O)O)ccc1
+FC(F)(F)c1cc(NC(=O)Cc2c(F)cc(cc2)Br)cnc1C(C)=O
+FC(F)(F)c1cc(NC(=O)c2ccc(C)c(N)c2)ccc1-n3ccnc3C
+FC(F)(F)c1cc(OCc2ccccc2)ccc1CC(C(OC)=O)OCC
+FC(F)(F)c1cc(Oc2ccc(cc2)CC[N+](=O)[O-])ccc1Cl
+FC(F)(F)c1cc(S)ccc1
+FC(F)(F)c1cc([N+](=O)[O-])cc(O)c1
+FC(F)(F)c1cc(c(C)cc1)C(=O)O
+FC(F)(F)c1cc(c(Cl)cc1)B(O)O
+FC(F)(F)c1cc(c(Cl)nc1)Cl
+FC(F)(F)c1cc(c(NC(=O)OC(C)(C)C)cc1F)[N+](=O)[O-]
+FC(F)(F)c1cc(c(cc1)Br)CO
+FC(F)(F)c1cc(c(cc1)C(=O)O)F
+FC(F)(F)c1cc(c(cc1)Cl)C(=O)Cl
+FC(F)(F)c1cc(c(cc1)F)C(Cl)=O
+FC(F)(F)c1cc(c(cc1)F)C=O
+FC(F)(F)c1cc(c(cc1)N)N
+FC(F)(F)c1cc(c(cc1)S(=O)(=O)Cl)[N+]([O-])=O
+FC(F)(F)c1cc(c(cc1Cl)N)[N+](=O)[O-]
+FC(F)(F)c1cc(c(cn1)Br)C#N
+FC(F)(F)c1cc(c(nc1)Cl)[N+]([O-])=O
+FC(F)(F)c1cc(c2c(ccc(c2)Br)n1)O
+FC(F)(F)c1cc(c2nc(cn2c1)C(=O)O)Cl
+FC(F)(F)c1cc(cc(Br)c1)C(N(CC(c2ccc(cc2)F)CC=C)C)=O
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2CC(OC)=NCC2c3ccc(cc3)F)C
+FC(F)(F)c1cc(cc(CO)c1)Br
+FC(F)(F)c1cc(cc(Cl)c1)Oc2ccc(cc2)C=C
+FC(F)(F)c1cc(cc(F)c1)S(=O)(=O)NC2c3cnn(c3CCC2)CC(=O)OCC
+FC(F)(F)c1cc(cc(N)c1)Cl
+FC(F)(F)c1cc(cc(N)c1)[N+](=O)[O-]
+FC(F)(F)c1cc(cc([N+](=O)[O-])c1)C(=O)O
+FC(F)(F)c1cc(cc(c1)N)Br
+FC(F)(F)c1cc(ccc1)C(=O)Cl
+FC(F)(F)c1cc(ccc1)C2CCC(N2c3ccc(cc3)Oc4ccc(cc4)Cl)=O
+FC(F)(F)c1cc(ccc1)I
+FC(F)(F)c1cc(ccc1)N
+FC(F)(F)c1cc(ccc1)N2CCNCC2
+FC(F)(F)c1cc(ccc1)N=C2c3ccccc3N(C2=O)c4ccc(cc4)O
+FC(F)(F)c1cc(ccc1)N=C=O
+FC(F)(F)c1cc(ccc1)NC(N)=O
+FC(F)(F)c1cc(ccc1)O
+FC(F)(F)c1cc(ccc1B(O)O)Cl
+FC(F)(F)c1cc(ccc1C#N)F
+FC(F)(F)c1cc(ccc1C#N)N2C(N(CCCC(=O)O)C(C)(C)C2=O)=S
+FC(F)(F)c1cc(ccc1CN2CCN(CC2)C)C(=O)O
+FC(F)(F)c1cc(ccc1Cl)B(O)O
+FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Cl
+FC(F)(F)c1cc(ccc1O)Br
+FC(F)(F)c1cc(ccc1OC)Br
+FC(F)(F)c1cc(ccc1OCC)B(O)O
+FC(F)(F)c1cc(ccc1OCCCOC2CCCCO2)Br
+FC(F)(F)c1cc(cs1)C(OC)=O
+FC(F)(F)c1cc(n(-c2ccc(F)c(F)c2)n1)CN
+FC(F)(F)c1cc(nc2[nH]ncc12)O
+FC(F)(F)c1cc(ncc1)CN
+FC(F)(F)c1cc(ncc1)N
+FC(F)(F)c1cc(ncc1C(=O)OC)Cl
+FC(F)(F)c1cc2CNCCc2cc1
+FC(F)(F)c1cc2N(C(c3ccc(c(Cl)c3)Cl)C#N)CC(CC)Nc2cc1
+FC(F)(F)c1cc2c(cc(C(OCC)=O)nc2cc1)O
+FC(F)(F)c1cc[n+](c(Cl)c1)[O-]
+FC(F)(F)c1ccc(-c2ncnc(Nc3ccc(cc3)OC)c2[N+]([O-])=O)c(F)c1
+FC(F)(F)c1ccc(B(O)O)c(c1)Cl
+FC(F)(F)c1ccc(Br)c(S(=O)(=O)Cl)c1
+FC(F)(F)c1ccc(Br)cc1F
+FC(F)(F)c1ccc(Br)cn1
+FC(F)(F)c1ccc(Br)nc1
+FC(F)(F)c1ccc(C#N)c(n1)Cl
+FC(F)(F)c1ccc(C(=O)CBr)cc1F
+FC(F)(F)c1ccc(C(=O)Cl)c(c1)F
+FC(F)(F)c1ccc(C(O)=O)c(OC)c1
+FC(F)(F)c1ccc(C=CC(OC)=O)c(Cl)n1
+FC(F)(F)c1ccc(C=O)c(c1)F
+FC(F)(F)c1ccc(CBr)nc1
+FC(F)(F)c1ccc(CN2C(=O)C(=O)c3c2cccc3)o1
+FC(F)(F)c1ccc(CN2c3c(c(ccc3)Br)C(O)(C2=O)c4nc(OC)ccc4O)o1
+FC(F)(F)c1ccc(Cl)nn1
+FC(F)(F)c1ccc(F)c(Br)c1
+FC(F)(F)c1ccc(N)c([N+]([O-])=O)c1
+FC(F)(F)c1ccc(N)cc1F
+FC(F)(F)c1ccc(OCc2ccccc2)c(c1C)[N+](=O)[O-]
+FC(F)(F)c1ccc(c(C)c1)N
+FC(F)(F)c1ccc(c(C2CC2)n1)C=O
+FC(F)(F)c1ccc(c(N)c1)O
+FC(F)(F)c1ccc(c(N)c1)OC
+FC(F)(F)c1ccc(c(N)n1)C(=O)OC
+FC(F)(F)c1ccc(c(N=C=O)c1)F
+FC(F)(F)c1ccc(c(c1)[N+](=O)[O-])C(O)=O
+FC(F)(F)c1ccc(c(c1)[N+](=O)[O-])NCCCCl
+FC(F)(F)c1ccc(c(c1)[N+]([O-])=O)F
+FC(F)(F)c1ccc(c(n1)N2CCCC2)CN
+FC(F)(F)c1ccc(c(n1)OC)CCl
+FC(F)(F)c1ccc(cc1)-c2c(C(O)=O)ccc(c2)C
+FC(F)(F)c1ccc(cc1)-c2c(cccc2)C(Cl)=O
+FC(F)(F)c1ccc(cc1)-c2c3CN(CCc3n(CCC=O)n2)S(=O)(=O)C
+FC(F)(F)c1ccc(cc1)-c2c3ccc(OCCO)cc3sc2C
+FC(F)(F)c1ccc(cc1)-c2cc(CC#N)n(C)n2
+FC(F)(F)c1ccc(cc1)-c2cc(ccc2)NCCC
+FC(F)(F)c1ccc(cc1)-c2ccc(C(=O)N(OC)C)cc2C
+FC(F)(F)c1ccc(cc1)-c2ccc(C(=O)OC)nn2
+FC(F)(F)c1ccc(cc1)-c2ccc(CC(=O)O)c(C)n2
+FC(F)(F)c1ccc(cc1)-c2ccc3c(c2)C(C)(C)CN3
+FC(F)(F)c1ccc(cc1)-c2coc(CC(OCC)=O)n2
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(cc2)C(=O)OC
+FC(F)(F)c1ccc(cc1)-c2nc(N)sc2
+FC(F)(F)c1ccc(cc1)-c2nc(c(C)o2)-c3ccc(cc3)Br
+FC(F)(F)c1ccc(cc1)-c2nc(c(CCl)s2)C
+FC(F)(F)c1ccc(cc1)-c2nc(c(cn2)CCl)C3CC3
+FC(F)(F)c1ccc(cc1)-c2nc(c(o2)C)CCl
+FC(F)(F)c1ccc(cc1)-c2nc(c(s2)CCO)C
+FC(F)(F)c1ccc(cc1)-c2nc(cc(c2)CN)N3CCCC3
+FC(F)(F)c1ccc(cc1)-c2nc(nc(C)c2)I
+FC(F)(F)c1ccc(cc1)-c2nc(nc(c2)C)O
+FC(F)(F)c1ccc(cc1)-c2nc3c(CNCC3)s2
+FC(F)(F)c1ccc(cc1)-c2nc3c(cc2)NCC3C(C)C
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)CCOS(=O)(=O)c3ccc(cc3)C
+FC(F)(F)c1ccc(cc1)-n2cc(cc2)C=O
+FC(F)(F)c1ccc(cc1)B(O)O
+FC(F)(F)c1ccc(cc1)Br
+FC(F)(F)c1ccc(cc1)C#C
+FC(F)(F)c1ccc(cc1)C(=O)C
+FC(F)(F)c1ccc(cc1)C(=O)Cl
+FC(F)(F)c1ccc(cc1)C(=S)N
+FC(F)(F)c1ccc(cc1)C(CBr)=O
+FC(F)(F)c1ccc(cc1)C(CC(=O)OCC)=O
+FC(F)(F)c1ccc(cc1)C(O)=O
+FC(F)(F)c1ccc(cc1)C2CNCC(NC(=O)c3ccccc3)C2
+FC(F)(F)c1ccc(cc1)C=CC(=O)N
+FC(F)(F)c1ccc(cc1)C=O
+FC(F)(F)c1ccc(cc1)CBr
+FC(F)(F)c1ccc(cc1)CC(C(c2ccccc2)O)C(=O)OCC
+FC(F)(F)c1ccc(cc1)CC(O)=O
+FC(F)(F)c1ccc(cc1)CCC(=O)O
+FC(F)(F)c1ccc(cc1)CCC2CNCCN2
+FC(F)(F)c1ccc(cc1)CCI
+FC(F)(F)c1ccc(cc1)CN
+FC(F)(F)c1ccc(cc1)CN2C(=O)C(C(=O)OC)=C(O)c3cc(cn23)Br
+FC(F)(F)c1ccc(cc1)CN=[N+]=[N-]
+FC(F)(F)c1ccc(cc1)CP(OCC)(OCC)=O
+FC(F)(F)c1ccc(cc1)Cc2c(C(O)=O)c(sc2C)C
+FC(F)(F)c1ccc(cc1)Cl
+FC(F)(F)c1ccc(cc1)I
+FC(F)(F)c1ccc(cc1)N
+FC(F)(F)c1ccc(cc1)N2CCNCC2
+FC(F)(F)c1ccc(cc1)N=C=O
+FC(F)(F)c1ccc(cc1)Nc2nc(C=C)ncn2
+FC(F)(F)c1ccc(cc1)O
+FC(F)(F)c1ccc(cc1)OC(Cl)=O
+FC(F)(F)c1ccc(cc1)OCOC
+FC(F)(F)c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)Cl
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Cl
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(C2CCC(CC2)OCCCC(O)=O)C
+FC(F)(F)c1ccc(cc1C(Cl)=O)F
+FC(F)(F)c1ccc(cn1)C=O
+FC(F)(F)c1ccc(cn1)O
+FC(F)(F)c1ccc(o1)CBr
+FC(F)(F)c1ccc2CCCNc2c1
+FC(F)(F)c1ccc2c(Cl)ccnc2n1
+FC(F)(F)c1ccc2c(c1)ncc(C(=O)OCC)c2O
+FC(F)(F)c1ccc2cc(-c3ccc(cc3)F)nn2c1
+FC(F)(F)c1ccc2nc(c(c(O)c2c1)C(=O)OC)C
+FC(F)(F)c1ccc2nccc(O)c2c1
+FC(F)(F)c1cccc(-c2c(c(c3cc(ccc3n2)Br)C(=O)O)C)c1
+FC(F)(F)c1cccc(-c2nc(C)c(C(=O)OC)cc2)c1
+FC(F)(F)c1cccc(-c2nnc3CC(CC(=O)c3c2)C)c1
+FC(F)(F)c1cccc(-n2c(C)cnc2OCC)c1
+FC(F)(F)c1cccc(B(O)O)c1
+FC(F)(F)c1cccc(C(=N)N)c1
+FC(F)(F)c1cccc(C(=NO)N)c1
+FC(F)(F)c1cccc(C(=O)O)c1C
+FC(F)(F)c1cccc(C(=O)O)c1N
+FC(F)(F)c1cccc(C(=O)OC)c1
+FC(F)(F)c1cccc(C=O)c1
+FC(F)(F)c1cccc(C=O)c1C
+FC(F)(F)c1cccc(CC(CN2C(=O)c3c(C2=O)cccc3)N)c1
+FC(F)(F)c1cccc(CN)c1
+FC(F)(F)c1cccc(Cc2c3nc(Cl)cc(Cl)n3nc2C)c1C
+FC(F)(F)c1cccc(Cc2ccc(cc2)C(OC)=O)c1
+FC(F)(F)c1cccc(Cl)c1C(=O)O
+FC(F)(F)c1cccc(F)c1C=O
+FC(F)(F)c1cccc(N2C(=O)NC(c3ccc(cc3Br)C#N)C=4C(NCCC2=4)=O)c1
+FC(F)(F)c1cccc(N=C(N)N)c1
+FC(F)(F)c1cccc(NC(=O)N2CCCCc3c2ccc(OC)c3)c1
+FC(F)(F)c1cccc(NC(=O)NC(c2ccc(cc2)C#N)C3=C(OCC)CCCC3=O)c1
+FC(F)(F)c1cccc(NC=2CCC(C=2C(N)c3c(cc(cc3)C#N)SC)=O)c1
+FC(F)(F)c1cccc(OCC(CN=[N+]=[N-])=NOC)c1
+FC(F)(F)c1cccc(Oc2c(C(O)=O)ccc(Cl)c2)c1
+FC(F)(F)c1cccc(S(=O)(=O)Cl)c1
+FC(F)(F)c1cccc(c1)-c2ccc3[nH]c(nc3c2)N
+FC(F)(F)c1cccc(c1)-c2nc(SC)nnc2
+FC(F)(F)c1cccc(c1)-c2nc3c(nccc3COC(=O)C)s2
+FC(F)(F)c1cccc(c1)-c2oc(C(O)=O)cc2
+FC(F)(F)c1cccc(c1)C(=O)C
+FC(F)(F)c1cccc(c1)CCl
+FC(F)(F)c1cccc(c1)OCC(CCC2C3C(OC(=O)C3)CC2OC(c4ccccc4)=O)O
+FC(F)(F)c1cccc(c1F)C(=O)C
+FC(F)(F)c1cccc(n1)N
+FC(F)(F)c1cccc2c(ncnc12)-c3cc(O)ccc3F
+FC(F)(F)c1ccccc1
+FC(F)(F)c1ccccc1B(O)O
+FC(F)(F)c1ccccc1C(O)=O
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)N(C(C)(C)C)C(=O)O
+FC(F)(F)c1ccccc1CN
+FC(F)(F)c1ccccc1I
+FC(F)(F)c1ccccc1S(=O)(=O)Cl
+FC(F)(F)c1cccnc1F
+FC(F)(F)c1cccnc1N
+FC(F)(F)c1cccnc1N2CCNCC2
+FC(F)(F)c1ccnc(NC(Nc2ccc(cc2)-c3c(C=O)cn4c3c(N)ncn4)=O)c1
+FC(F)(F)c1ccnc(n1)Cl
+FC(F)(F)c1ccncc1Br
+FC(F)(F)c1ccnnc1O
+FC(F)(F)c1cnc(-c2ccc(cc2)C=O)cc1
+FC(F)(F)c1cnc(-c2ccc(cc2)F)c(Cl)c1
+FC(F)(F)c1cnc(-n2cc(c(n2)CCC)C(=O)OCC)cc1
+FC(F)(F)c1cnc(Br)cn1
+FC(F)(F)c1cnc(N2C(CNCC2)C)cc1
+FC(F)(F)c1cnc(Oc2c(C=C(C(OCC)=O)C)ccc(O)c2)c(Cl)c1
+FC(F)(F)c1cnc(Oc2ccc(cc2)O)cc1
+FC(F)(F)c1cnc(c(F)c1)F
+FC(F)(F)c1cnc(c(N)c1)Cl
+FC(F)(F)c1cnc(c(c1)[N+]([O-])=O)O
+FC(F)(F)c1cnc(cc1)-c2ccc(cc2)CBr
+FC(F)(F)c1cnc(cc1)CCl
+FC(F)(F)c1cnc(cc1)Cl
+FC(F)(F)c1cnc(cc1)N
+FC(F)(F)c1cnc(cc1)OCCCO
+FC(F)(F)c1cnc(nc1)Cl
+FC(F)(F)c1cnc(nc1OC(C)C(OCc2ccccc2)C)Cl
+FC(F)(F)c1cnc2[nH]cc([N+](=O)[O-])c2c1Cl
+FC(F)(F)c1cnc2ccnc(c2c1)O
+FC(F)(F)c1cnn2c(ncc2Br)n1
+FC(F)(F)c1csc(-c2c(cnc(NC(NCC)=O)c2)Br)n1
+FC(F)(F)c1csc(CO)c1
+FC(F)(F)c1csc(c1C(=O)OCC)N
+FC(F)(F)c1n(C)nc(c1)-c2cc(F)ccc2F
+FC(F)(F)c1n(nc(-c2cc(c(cc2F)F)[N+](=O)[O-])c1Cl)C
+FC(F)(F)c1n2c(nn1)CC(CC2)C(NCc3c(Cl)nccn3)=O
+FC(F)(F)c1n2c(nn1)ccc(Cl)n2
+FC(F)(F)c1n[nH]cc1CCO
+FC(F)(F)c1nc(F)c(cc1)B(O)O
+FC(F)(F)c1nc(O)c2c(cccc2)n1
+FC(F)(F)c1nc(c(cc1)CN)N2CCC(CC2)C
+FC(F)(F)c1nc(ccc1)Br
+FC(F)(F)c1nc(nc(c1)Cl)-c2ccncc2
+FC(F)(F)c1nc(ncc1C(OCC)=O)N
+FC(F)(F)c1nc(no1)-c2sc(cc2)C(=O)O
+FC(F)(F)c1nc[nH]c1
+FC(F)(F)c1ncc(-c2nc(CCOC)c(C(=O)OCC)cn2)cc1
+FC(F)(F)c1ncc(-c2ncnc(Cl)c2)cc1
+FC(F)(F)c1ncc(F)cc1
+FC(F)(F)c1ncc(cc1)N
+FC(F)(F)c1ncc(cc1Br)C(=O)OC
+FC(F)(F)c1ncc(cn1)Br
+FC(F)(F)c1ncc(cn1)O
+FC(F)(F)c1ncc(cn1)Oc2c(F)cc(cc2F)CCOC(=N)N
+FC(F)(F)c1nccc(O)c1
+FC(F)(F)c1nccc(c1)Br
+FC(F)(F)c1nccc(c1)NC2=C(C(c3ccc(cc3Br)C#N)N)C(=O)CC2
+FC(F)(F)c1nccnc1C(=O)O
+FC(F)(F)c1nn(-c2c(Cl)cccn2)c(c1)C(=O)O
+FC(F)(F)c1nn(-c2cccc(Cl)c2OC)c(CN)c1
+FC(F)(F)c1nn(CC(O)=O)c2c1CCCC2
+FC(F)(F)c1nn(c(CN)c1)-c2cccc(Cl)c2
+FC(F)(F)c1nn(c2c1CCN(C(OC(C)(C)C)=O)C2)CC(=O)O
+FC(F)(F)c1noc2c(CCC)c(O)ccc12
+FC(F)(F)c1onc(-c2cncc(C(=O)O)c2)n1
+FC(F)(OC(C)=O)Cl
+FC(F)(Oc1c(nccc1)Br)C
+FC(F)(SCC)C(=O)c1c(cc(F)cc1)F
+FC(F)(c1c2c(cccc2)c(F)cc1)C(Cl)=O
+FC(F)(c1cc([N+]([O-])=O)ccc1F)C
+FC(F)(c1cc(c(cc1)C(=O)OC)[N+](=O)[O-])C
+FC(F)(c1ccc(F)cn1)c2nc3cc(Br)ccc3c(S)n2
+FC(F)(c1ccc(cc1)N)C(F)(F)Cl
+FC(F)(c1ccc(cn1)F)C(=O)O
+FC(F)=C(CCO)C
+FC(F)=CC1C(C(Cl)=O)C1(C)C
+FC(F)C(=O)OCC
+FC(F)C(CC(=C)C)N
+FC(F)C(CC(=O)OCC)=O
+FC(F)C(O)=O
+FC(F)C1COC(C)(CN1)CCO
+FC(F)CCOc1c(F)ccc(Br)c1
+FC(F)CN
+FC(F)CO
+FC(F)COc1c(C(=O)OCC)cc([N+]([O-])=O)c(NC)c1
+FC(F)COc1cc(c(cc1C(=O)OCC)[N+]([O-])=O)N
+FC(F)COc1ccc(cc1)CC(O)=O
+FC(F)Cl
+FC(F)Cn1cc([N+](=O)[O-])cn1
+FC(F)N1C(C)=NN(c2c(cc([N+]([O-])=O)cc2)F)C1=O
+FC(F)N1C(N(N=C1C)c2c(F)cc(c(c2)Oc3ccc(cc3)C(OCC)=O)Cl)=O
+FC(F)Oc1c(F)c(C(=O)CC(OCC)=O)c([N+]([O-])=O)c(F)c1F
+FC(F)Oc1c(N)cccc1
+FC(F)Oc1c(O)cc(cc1)C=O
+FC(F)Oc1c(OCC)cc(cc1)C(CC(OC)=O)N
+FC(F)Oc1c(ccc(Br)c1)C#N
+FC(F)Oc1c2c(c3cnccc3o2)c(C(=O)OC)cc1
+FC(F)Oc1cc(-n2ncc(C(=O)OCC)c2C)nn1C
+FC(F)Oc1cc(S(=O)(=O)Cl)ccc1
+FC(F)Oc1cc(ccc1Cl)Br
+FC(F)Oc1cc(nn1C)NN
+FC(F)Oc1ccc(-c2ccc(Cl)nn2)cc1OC
+FC(F)Oc1ccc(cc1)N
+FC(F)Oc1ccc(cc1Cl)F
+FC(F)Oc1ccc(cc1OC)CC(O)=O
+FC(F)Oc1cccc(F)c1C(OC)=O
+FC(F)Oc1n(nc(c1Cl)-c2cc(c(Cl)cc2)C)C
+FC(F)Oc1ncc(Br)cc1
+FC(F)Oc1ncc(C(=O)OC)cc1Cl
+FC(F)c1[nH]c2c(n1)cccc2
+FC(F)c1[nH]c2cccc(OC)c2n1
+FC(F)c1c(cc(C#N)c(O)n1)C(=O)OCC
+FC(F)c1cc(c(Cl)cc1)F
+FC(F)c1cccc(c1)N
+FC(F)c1ccnc(Nc2nc(C#C)cc(C)c2)c1
+FC(F)c1nn(C)cc1C(O)=O
+FC(F)c1nnc2n1cc(cc2C)[N+](=O)[O-]
+FC(F)n1cc(c(n1)C(OC)=O)Cl
+FC(F)n1ccc(n1)C(O)=O
+FC1(F)C(C)CC(CC1)CN
+FC1(F)C(CN2c3c(N(S2(=O)=O)C)nc(-c4c(C)ccc(C(=O)OC)c4)cc3)C1
+FC1(F)CC(C)CC(CN)(O)C1
+FC1(F)CC(C1)N
+FC1(F)CCC(C1)C(=O)O
+FC1(F)CCC(N)C1
+FC1(F)CCCC(C1)(CN)O
+FC1(F)CCN(CC1)c2nc(C3C(CCCC3)C(=O)OC)cs2
+FC1(F)CNCC1
+FC1(F)COCC(=N)NC1(CC)c2c(F)ccc(N)c2
+FC1(F)Oc2c(O1)ccc(C=O)c2
+FC1(F)Oc2cc(ccc2O1)C3(CC3)C(=O)O
+FC1CNC(C1)C(=O)Nc2nc(Cl)ccc2
+FCC(=O)O
+FCC(CF)(C)C(=O)OC
+FCCI
+FCCOCCOCCCl
+FS(F)(F)(F)(F)c1cc2c(C=O)c[nH]c2cc1
+FS(F)(F)N(CC)CC
+F[B-](F)(F)C1CC1
+F[B-](F)(F)C=C
+F[B-](F)(F)F
+Fc1c(C)ccc(CC2CCCN2CC(COC(c3c(cccc3)CCC(OC)=O)C)O)c1
+Fc1c(CCO)cccc1
+Fc1c(CCl)cccc1
+Fc1c(CNCC)cccc1
+Fc1c(Cn2c3nc(N)nc(c3nc2)C#N)cccc1
+Fc1c(F)c(c(F)c(F)c1)CC(C)N
+Fc1c(F)c(c(F)c(F)c1C(=O)O)N
+Fc1c(F)cc(F)c(F)c1
+Fc1c(F)ccc(Br)c1
+Fc1c(OC)cc(OC)c(F)c1N2Cc3c(cc(Cl)nc3)N(C2=O)CC
+Fc1c(OC)cc(OC)c(F)c1N2Cc3cnc4[nH]ccc4c3N(CC=C)C2=O
+Fc1c(OC)cc(c(F)c1N2Cc3cnc(cc3CC2=O)Cl)OC
+Fc1c(OCC)ccc(F)c1OC(CBr)=CC(OCC)=O
+Fc1c([N+](=O)[O-])c(c(F)c(c1)F)F
+Fc1c(cc(N)c(c1)C(O)=O)F
+Fc1c(cc([N+]([O-])=O)c(F)c1C(O)=O)F
+Fc1c(cc(c(c1)C(=O)O)Cl)F
+Fc1c(cc2NC(=N)c3ccsc3Nc2c1)F
+Fc1cc(C(=O)Cl)ccc1F
+Fc1cc(C(=O)O)ccc1F
+Fc1cc(C(Cl)=O)c(F)cc1C
+Fc1cc(N)c(c(F)c1C)F
+Fc1cc([N+]([O-])=O)c(cc1C)F
+Fc1cc(c(F)cc1C)C(=O)O
+Fc1cc(c(F)cc1F)C#N
+Fc1cc(c(F)cc1F)C(=O)O
+Fc1cc(cc(F)c1)C(=O)O
+Fc1cc(cc(F)c1)CC(=O)O
+Fc1cc(cc(F)c1)[N+](=O)[O-]
+Fc1cc(cc(F)c1-c2c(ccc(C(OC)=O)n2)F)C=O
+Fc1cc(cc(F)c1C(=O)O)F
+Fc1cc(cc(F)c1C=2N(C(C(Cl)=NC=2Cl)=O)CC(CC)C)OC
+Fc1cc(cc(F)c1C=O)Br
+Fc1cc(cc(F)c1CC(=O)Cl)F
+Fc1cc(cc(F)c1F)Br
+Fc1cc(cc(F)c1F)C(=O)C
+Fc1cc(cc(F)c1F)C=C(C)C(OCC)=O
+Fc1cc(cc(F)c1F)C=O
+Fc1cc(cc(F)c1F)[N+]([O-])=O
+Fc1cc(cc(F)c1N)C(OC)=O
+Fc1cc(cc(F)c1O)C(OC)=O
+Fc1cc(cc(F)c1O)CCC(=O)OCC
+Fc1cc(cc(F)c1Oc2ccnc3[nH]ccc23)N
+Fc1cc(cc(F)n1)-c2ccnc(Cl)n2
+Fc1cc(ccc1F)C#N
+Fc1cccc(F)c1-n2c3c(cn2)cc(c(O)n3)Br
+Fc1cccc(F)c1C(=O)O
+Fc1cccc(F)c1CBr
+Fc1cccc(F)c1COc2[n+](cccc2)N
+Fc1cccc(F)c1N2C(C=Cc3c(Cl)nc(SC)nc23)=O
+Fc1cccc(F)c1S(=O)(=O)Cl
+Fc1ccccc1CC(O)=O
+Fc1cncc(F)c1NC(=O)c2c(cccc2Cl)[N+](=O)[O-]
+I
+ICI
+II
+I[Cu]I
+I[Mg]C
+Ic1[nH]cnc1
+Ic1c(Br)cnc(Cl)c1
+Ic1c(Cl)cnc(F)c1
+Ic1c(Cl)ncc(C(=O)O)c1
+Ic1c(F)cnc(Cl)c1
+Ic1c(O)cnc(Cl)c1
+Ic1c(O)ncc(C(=O)O)c1
+Ic1c(O)ncc(c1)[N+](=O)[O-]
+Ic1c(c2CNC3C(n2n1)COC3)C(=O)OCC
+Ic1c2c([nH]cc2)ncn1
+Ic1c2c(n(C3COCCNC3)n1)ncnc2N
+Ic1cc(c(Cl)nc1)[N+](=O)[O-]
+Ic1ccc(cc1F)C#N
+Ic1cccnc1
+Ic1cccs1
+Ic1ccnc(Cl)c1
+Ic1ccnc(Cl)c1Br
+Ic1ccnc(F)c1
+Ic1ccnc(F)c1C=O
+Ic1ccnc(F)c1Cl
+Ic1ccnc(O)c1
+Ic1ccnc(SC)n1
+Ic1ccnc(c1)NN
+Ic1ccnn1C
+Ic1cn[nH]c1
+Ic1n[nH]c2ncnc(N)c12
+Ic1nn(cc1-c2nc(SC)ncc2)C3CCCCO3
+N
+N#C
+N#CB
+N#CBr
+N#CC
+N#CC(=C)Cl
+N#CC(C#N)=COCC
+N#CC(C#N)C(=O)c1ccc(cc1)I
+N#CC(N)C(=O)N
+N#CC1C(CO)C1
+N#CC1CCCN1
+N#CC1CCCN1C(CCl)=O
+N#CC1CCCNC1
+N#CC=C
+N#CC=CC
+N#CCBr
+N#CCC(=O)C
+N#CCC(=O)N
+N#CCC(=O)NN
+N#CCC(=O)O
+N#CCC(=O)OC
+N#CCC(N)=S
+N#CCCC(Cl)=O
+N#CCCCCBr
+N#CCCCC[Zn+]
+N#CCCl
+N#CCI
+N#CCN
+N#CCN(C)CCCOC
+N#CCNC(C(N)Cc1nccs1)=O
+N#CCc1cccnc1
+N#CN
+N#CSc1c(cnc(Cl)n1)[N+](=O)[O-]
+N#Cc1c(Br)cc(F)cn1
+N#Cc1c(Br)cc(O)nc1
+N#Cc1c(Br)cccn1
+N#Cc1c(Br)ccs1
+N#Cc1c(Cl)ncc(Br)c1
+N#Cc1c(Cl)nccc1
+N#Cc1c(F)cccn1
+N#Cc1c(O)cccc1
+N#Cc1c(O)ccnc1
+N#Cc1c(c(ccc1)C(=O)O)C
+N#Cc1c(cccc1)CBr
+N#Cc1c(cccc1)Cl
+N#Cc1c(cccc1)F
+N#Cc1c2c(ccs2)c(O)nc1
+N#Cc1c2cccc(c2ccc1)OC
+N#Cc1cc(c(c(c1F)Br)F)F
+N#Cc1cc2c(c(Cl)n1)cccc2
+N#Cc1cc2c(cccc2)c(c1OC)C(O)=O
+N#Cc1ccc(O)c(F)c1F
+N#Cc1ccc(nc1)NC(c2nccnc2C(O)=O)=O
+N#Cc1ccc[nH]1
+N#Cc1cccc2-c3c(CCCc12)cccc3
+N#Cc1cccc2c1ccc(NCc3c(cccc3)OC)n2
+N#Cc1ccccc1Br
+N#Cc1cccnc1F
+N#Cc1cccnc1O
+N#Cc1ccnc(C)c1
+N#Cc1ccnc(Cl)c1
+N#Cc1ccnc(F)c1
+N#Cc1cnc2c(c1Cl)cc([N+]([O-])=O)cn2
+N#Cc1cnc2c(cc(I)s2)c1Cl
+N#Cc1cnn2c(ccc2)c1Cl
+N#Cc1ncc(O)cc1Cl
+N#Cc1nccc(Br)c1
+N#Cc1nccc(Cl)c1
+N#[C-].N#[C-].[Cu+2]
+N#[C-].N#[C-].[Zn+2]
+N(=C(C(=O)O)c1csc(NC=O)n1)OCCBr
+N(=C=O)CCCCC1SCC2NC(=O)NC12
+N(=C=O)c1ccccc1Oc2n(nc(c2)C)-c3c(Cl)cccc3
+N(=C=S)c1c(Cl)c(F)ccc1
+N(=C=S)c1cc(c(cc1Cl)F)C#N
+N(=[N+]=[N-])CC(OCC)=O
+N(=[N+]=[N-])CC1OC1
+N(=[N+]=[N-])CCC(C(=O)OC)N
+N(=[N+]=[N-])CCN
+N(Br)C(CCC(N)=O)=O
+N(C(=N)SC)c1cc(c(cc1)-n2c(ncn2)C)F
+N(C(=O)OCC)C(C(C(OCC)=O)=COCC)=O
+N(C(=S)Nc1ccc(cc1C)C(=O)N)c2c(NCCCO)c(C(=O)OC)ccc2Cl
+N(C(C)=O)c1c([N+]([O-])=O)cc(cc1C)O
+N(C(Cl)=O)=C=O
+N(C)C(COc1cc(C#N)ccc1CN)=O
+N(C)CC(c1c[nH]c2c1cccc2)O
+N(C)c1cc2c[nH]nc2cc1
+N(C)c1cccc(C)c1
+N(C1c2c(CCC1)cccn2)Cc3nc4cccc(F)n4c3
+N(C=O)c1scc(C(=O)C(O)=O)n1
+N(CCCO)c1c(N)c(Cl)ccc1C(=O)OC
+N(CCCOC)c1c([N+]([O-])=O)cccc1C(=O)OC
+N(N=CC(=O)C)C
+N(O)=C(N)OCCOC
+N(O)C(=N)c1ccc(cc1OC)O
+N(O)C(=O)C
+N(O)C(c1cc(C)c(N)c(Cl)c1)=N
+N(O)C(c1cc(F)c(C(=O)OC)cc1)=N
+N(O)C(c1cccc(CO)c1)=N
+N(OC)C
+N(c1c(C(=O)OC)ccc([N+]([O-])=O)c1)=C=S
+N(c1c(c2c(snn2)cc1C(OC)=O)F)c3ccccc3F
+N(c1c(cc2c(nc(O)c(n2)O)c1[N+](=O)[O-])Cl)C(=O)OCC
+N(c1c(cccc1C)C(=O)C)C(C)=O
+N1(C(=O)C(NC1=S)(c2cc(ccc2)OC)c3cc(c(cc3)F)Br)C
+N1(C(=O)C=C(C=C1C)OCc2ccc(cc2CN)F)c3c(C)ccc(c3)C(=O)OC
+N1(C(=O)NC(N(Br)C1=O)=O)Br
+N1(C(C(OC)=O)Cc2ccccc12)c3ccc(Cl)nn3
+N1(C(C)=CC(O)=CC1=O)CC(=O)O
+N1(C(C2=C(C(Br)=C1)CCCC2)=O)C
+N1(C=CC=C(C1=O)C(=O)O)Cc2ccc(F)c(F)c2
+N1(CC(c2ccco2)OC1=O)C
+N1(CC2C(CCOC2=O)C1)CCCCl
+N1(CC=C(C)c2cccc(CO)c12)C
+N1(CCC(C1=O)N)C
+N1(CCCC1=O)C
+N1(CCN(C(=O)C1C)CCCO)C(C=Cc2cc(Cl)c(F)cc2)=O
+N1(CCNCC1=O)C
+N1(CCNCCC1)C
+N1(N=C(C(=O)c2cccnc12)C(=O)OCC)c3cccc(c3)Br
+N1(c2[nH]cnc2C(NC1=O)=O)C
+N1(c2c(C(=O)N(c3ccc(nc13)F)C)cc(Br)cn2)CC
+N1(c2c(C)ccc(c2)C(=O)OC)C=C(Br)N=C(Br)C1=O
+N1(c2c(Cl)cccc2)N=C(NC1=O)CCCC
+N1(c2c(OCC1=O)cccc2)C
+N1(c2ncc(cc2C(Nc3c1nc(cc3C)Cl)=O)Br)CC
+N1(c2ncccc2N(C(c3cc(CCO)cnc13)=O)C)CC
+N12C(CNCc3c1c(ccc3)C(CO)CC2)C
+N12CCCC1=C(C(Cl)=CC2=O)C(=O)OC
+N1=C(C=C2N(CCCN2C1=O)C)Cl
+N1=CN(c2sc(c(C)n2)C(OCC)=O)C(N1)=O
+N1=NN(c2c(c(C)ccc2)CBr)C(=O)N1C
+N1=NN(c2cccc(OC)c2C)C(=O)N1C
+N1C(=O)C(C(NC1=O)=O)=O
+N1C(=O)C(C)N2C(=N1)COc3cc(ccc23)Br
+N1C(=O)Cc2c1cccc2Br
+N1C(=O)N2C(C=CC(Br)=C2C)=N1
+N1C(=O)c2ccccc2SCC1
+N1C(=S)N2C(C=CC(=N2)c3cnn(C)c3)=N1
+N1C(=S)NC(=CC1=O)C
+N1C(=S)SCC1=O
+N1C(C(OC)=O)CNCC1
+N1C(C)CNCC1
+N1C(NC(CCC)=CC1=O)=S
+N1C(c2ncccc2)(C(=O)N)COc3cccc(c13)[N+]([O-])=O
+N1CC(=O)NCCC1
+N1CC(F)C(c2c3cc([N+]([O-])=O)ccc3[nH]c2)=CC1
+N1CC2(CC1)CN(C)CCC2
+N1CCCCC(N)C1=O
+N1CCN(CC1C)c2cccc3cc(C#N)ccc23
+N1CCN(Cc2cc(ccc2)Br)CC1C
+N1CCNCC2(CC2)C1
+N1Cc2c(c3cc(OC)ccc3[nH]2)CC1
+N1Cc2cc(nnc2CC1)Cl
+N1Cc2ccc(O)nc2CC1
+N1Cc2ccc(cc2CC1)C(C)NC(C)=O
+N1Cc2n(nc(-c3cc(Cl)c(F)cc3)c2C(=O)N)CC1
+N1Cc2n(nc(-c3cc(F)ccc3)c2)CC1
+N1N=C(N(C1=S)C)c2c3c(nc(C)cc3)ccc2
+N1N=NC(=O)N1c2c(Cl)cccc2
+N1NC(=O)c2cccc(F)c12
+N1c2c(SCC1=O)ccc([N+]([O-])=O)c2
+N1c2c(ccc(O)c2)CCC1=O
+N1c2c(cccc2)Nc3sc(C)cc3C1=N
+N1c2c(cccc2Cl)C(=O)OC1=O
+N1c2cc(C(=O)C)c(cc2NC1=S)C
+N1c2cc(C(=O)O)ccc2SCC1=O
+N1c2cc(ccc2CCC1=O)F
+N1c2ccccc2C(CCCC1=O)=O
+N1c2ccccc2NC1=S
+N1c2ccccc2NCCC1=O
+N1c2cnc(Cl)nc2N(CCC1=O)CCOC
+N=1C(Cl)=C(C(N2C=1C=CC=C2)=O)Br
+N=1N(C)C(CC=1)=O
+N=1N(CC)C(CC=1)=O
+N=1N(c2nccc(C#N)c2)C(CC=1)=O
+N=C(C(OCC)=O)NO
+N=C(C1OCCC1)N
+N=C(CCCC)N
+N=C(CCOC)NO
+N=C(CCOCC)NO
+N=C(N)C
+N=C(N)CC
+N=C(N)c1cnc(cc1)Cl
+N=C(NO)C
+N=C(NO)COC
+N=C(Nc1cc([N+]([O-])=O)c(C)cc1)N
+N=C(SC)N
+N=C(SC)Nc1cc(F)c(cc1)-n2c(C)nc(n2)C
+N=C(c1cccnc1)NO
+N=C(c1cccs1)SC
+N=C(c1nccnc1)N
+N=C=O
+N=C=S
+N=CN
+NC
+NC(=O)C1C2CC(C1N)C=C2
+NC(=O)c1c(cc(OC)cc1OC)N
+NC(=O)c1c(cccc1)Cl
+NC(=O)c1c(cccc1)NC(=O)c2ccnnc2
+NC(=O)c1c(sc2c1CCCC2)N
+NC(=O)c1ccccc1[N+]([O-])=O
+NC(C(=O)O)CCCC(=O)O
+NC(C)=S
+NC(C)CSC
+NC(CCC(OC)=O)C(=O)O
+NC(CO)C
+NC(N)=N
+NC(N)=N[N+](=O)[O-]
+NC(N)=Nc1cc(ccc1)C(=O)OCC
+NC(N)=Nc1cc(ccc1)[N+](=O)[O-]
+NC(N)=Nc1cccc(CCO)c1
+NC(N)=Nc1scc(-c2nc(C(=O)OC)ccc2)n1
+NC(N)=O
+NC(N)=S
+NC([PH](=O)O)C
+NC1CC(C(=O)O)CC1
+NC1CC(O)CC1
+NC1CCCC1O
+NC1CCCCC1C(=O)O
+NC1CCc2cc(ccc2C1)F
+NC1CCc2ccc(cc2C1)O
+NC=1C(=O)N(C(N(C=1N)CCC)=O)CCC
+NC=1N(CCCC)C(NC(=O)C=1)=O
+NC=1NCCCN=1
+NC=1SCC(N=1)=O
+NCCCCN
+NCCCN
+NCCN
+NCCOc1c(cccc1)OCC
+NCCc1ccc(c(c1)OC)OC
+NCc1c(Cl)cccc1
+NCc1c(F)cccc1
+NCc1c([N+]([O-])=O)cccc1
+NCc1c2c(cccc2)sc1
+NCc1cccc2ccccc12
+NCc1ccnc2ccccc12
+NN
+NNC
+NNC(=O)C
+NNC(=O)c1ccc(cn1)F
+NNC(CCCCCC)=O
+NNC(N)=S
+NNC(NC)=S
+NNc1cccnc1
+NS(N)(=O)=O
+Nc1[n+](N)ccc(Br)c1
+Nc1[nH]ccn1
+Nc1c(Br)cc(F)cn1
+Nc1c(Br)cc(cc1[N+]([O-])=O)Br
+Nc1c(Br)cccn1
+Nc1c(Br)cnc(Cl)c1
+Nc1c(C#N)c(F)ccc1
+Nc1c(C#N)cnc(Cl)n1
+Nc1c(C(=O)N)cc(cc1C)Br
+Nc1c(C(=O)N)cncn1
+Nc1c(C(=O)O)cc(Br)cn1
+Nc1c(C(=O)O)cnc(SC)n1
+Nc1c(C(=O)O)ncc(Br)c1
+Nc1c(C(=O)OC)c[nH]n1
+Nc1c(C(=O)OC)cc(C)cc1
+Nc1c(C(Nc2cccc(c2C)Br)=O)ccc(OC)c1
+Nc1c(C)c(c(cc1)C#N)Cl
+Nc1c(C)cc(cc1[N+]([O-])=O)Br
+Nc1c(C)ccc(C#N)c1
+Nc1c(C)ccc(C(=O)O)c1
+Nc1c(C)ccc(CO)c1
+Nc1c(C)ccc([N+]([O-])=O)c1
+Nc1c(C)ccc(c1)O
+Nc1c(C)ccc2c1ccc(Cl)n2
+Nc1c(C)cccc1C(=O)O
+Nc1c(C)cccc1Cl
+Nc1c(C)cccc1O
+Nc1c(C)cccc1Oc2c(F)cccc2
+Nc1c(C=O)cnc(SC)n1
+Nc1c(Cl)cc(C)cc1
+Nc1c(Cl)cc(cc1)C(=O)OC
+Nc1c(Cl)cc(cc1)CC(OC)=O
+Nc1c(Cl)cc(cc1)O
+Nc1c(Cl)cc(cc1)Oc2c3cc(C#N)c(O)cc3ncc2
+Nc1c(Cl)ccc(F)c1
+Nc1c(Cl)ccc([N+]([O-])=O)c1
+Nc1c(Cl)ccc(c1)C(=O)OC
+Nc1c(Cl)nc(C)cn1
+Nc1c(Cl)nc(Cl)nc1
+Nc1c(Cl)ncc(NC(=O)c2ccnn2C)n1
+Nc1c(F)c(c(Cl)cc1)Cl
+Nc1c(F)cc(C)cc1
+Nc1c(F)cc([N+]([O-])=O)cc1
+Nc1c(F)cc(cc1)O
+Nc1c(F)ccc(F)c1
+Nc1c(F)ccc([N+]([O-])=O)c1
+Nc1c(F)cccn1
+Nc1c(F)ncc(Br)c1
+Nc1c(I)cc(I)c(c1I)CC(CC)C(O)=O
+Nc1c(I)ccc(F)c1
+Nc1c(N)c(Cl)ncc1
+Nc1c(N)c(cc([N+]([O-])=O)c1)Br
+Nc1c(N)c(cc([N+]([O-])=O)c1)OC
+Nc1c(N)c2c(cc1)nnn2C
+Nc1c(N)cc(c(Cl)c1)Cl
+Nc1c(O)cccn1
+Nc1c(O)ccnc1
+Nc1c(O)cncc1
+Nc1c([N+]([O-])=O)cc(C)c(Cl)c1
+Nc1c([N+]([O-])=O)cc2c(ncnc2c1)O
+Nc1c(c(C)cc(c1)Br)NC(=O)CCC
+Nc1c(c(Cl)ncc1)C(=O)OC
+Nc1c(c(N2CCC(N)C(C2)O)cc(C#N)c1)Cl
+Nc1c(c(OC)c(F)cc1)F
+Nc1c(c(c(cc1)Br)F)[N+]([O-])=O
+Nc1c(c(c(cc1)C(=O)O)C)[N+]([O-])=O
+Nc1c(c(cc(C(=O)O)c1)O)I
+Nc1c(c(ccc1)O)C
+Nc1c(c2OCC3CC3c2cc1)C(=O)OC
+Nc1c(c2cc[nH]c2cc1)C
+Nc1c(cc(Br)c(Cl)c1)OC
+Nc1c(cc(C(=O)O)cc1)F
+Nc1c(cc(C(=O)O)cc1)OC
+Nc1c(cc(OC)cc1)C(=O)O
+Nc1c(cc([N+]([O-])=O)cc1)C(=O)O
+Nc1c(cc([N+]([O-])=O)cc1)OC
+Nc1c(cc(c(F)c1)C#N)[N+]([O-])=O
+Nc1c(cc(c(c1C)C(=O)OC)C(=O)O)[N+]([O-])=O
+Nc1c(cc(cc1)F)C(=O)N
+Nc1c(cc(cc1)F)OC
+Nc1c(cc(cc1C)I)C(=O)O
+Nc1c(ccc(F)c1)Br
+Nc1c(ccc(F)c1)C(=O)O
+Nc1c(ccc(F)c1)[N+]([O-])=O
+Nc1c(ccc(F)c1F)O
+Nc1c(ccc(OC)c1)CCNC
+Nc1c(ccc([N+]([O-])=O)c1)Br
+Nc1c(ccc([N+]([O-])=O)c1)C(=O)O
+Nc1c(ccc([N+]([O-])=O)c1)C(NC)=O
+Nc1c(ccc([N+]([O-])=O)c1)O
+Nc1c(cccc1Cl)C(=O)O
+Nc1c(cccn1)-c2cc3CCNC(c3s2)=O
+Nc1c(cccn1)C(=O)N
+Nc1c(cccn1)C(=O)O
+Nc1c(cccn1)C=O
+Nc1c(nc(C)cc1)Br
+Nc1c(nc(nc1Cl)C)N
+Nc1c(ncc(F)c1)C(=O)OC
+Nc1c(ncc([N+]([O-])=O)c1)N
+Nc1c(ncnc1NC)Cl
+Nc1c2CCOc2c(C(=O)O)cc1Cl
+Nc1c2c(ccc(O)c2)ccc1
+Nc1c2c(ccc1Cl)nc(cc2)Cl
+Nc1c2cc(C)ncc2ccc1
+Nc1c2cccc(F)c2ncc1
+Nc1c2ccncc2ccc1
+Nc1cc(-c2nnnn2C)cc(CC)c1
+Nc1cc(Br)ccc1N
+Nc1cc(Br)cnc1N
+Nc1cc(Br)sc1C(=O)OC
+Nc1cc(C(=O)O)ccc1F
+Nc1cc(C)c(Cl)cc1
+Nc1cc(C)c(cc1)Br
+Nc1cc(C)c(cc1)[N+]([O-])=O
+Nc1cc(C)cc(c1)Br
+Nc1cc(C)ccc1C(=O)OC
+Nc1cc(C)ccc1F
+Nc1cc(C)ccc1O
+Nc1cc(C)ccc1[N+]([O-])=O
+Nc1cc(C)no1
+Nc1cc(C)ns1
+Nc1cc(Cl)nc(C#N)c1[N+](=O)[O-]
+Nc1cc(Cl)nc(Cl)c1[N+]([O-])=O
+Nc1cc(Cl)ncc1NC
+Nc1cc(Cl)ncc1[N+](=O)[O-]
+Nc1cc(F)ccc1N
+Nc1cc(O)c(cc1)C(=O)O
+Nc1cc(OC)c(cc1)C#N
+Nc1cc(OC)c(cc1Cl)C(=O)O
+Nc1cc(OC)cc2c(ccnc12)C
+Nc1cc(OC)ccc1C(=O)O
+Nc1cc(OC)ccc1Cl
+Nc1cc([N+]([O-])=O)c(C)cc1
+Nc1cc([N+]([O-])=O)c(cc1)Br
+Nc1cc(c(Br)cc1OC)OC
+Nc1cc(c(C)cc1)C(=O)O
+Nc1cc(c(C)cc1)F
+Nc1cc(c(C)cc1)O
+Nc1cc(c(Cl)cc1)C(=O)O
+Nc1cc(c(Cl)cc1)O
+Nc1cc(c(F)cc1)C(=O)C
+Nc1cc(c(cc1)Br)C#N
+Nc1cc(c(cc1)CC)O
+Nc1cc(c(cc1)O)C(=O)O
+Nc1cc(c(cc1)O)F
+Nc1cc(cc(C)c1)O
+Nc1cc(cc(F)c1O)Br
+Nc1cc(ccc1Cl)O
+Nc1cc(ccc1F)O
+Nc1cc(ccc1N)C#N
+Nc1cc(ccc1O)O
+Nc1cc(ccn1)Oc2ccc3c(cc[nH]3)c2
+Nc1cc2CCC(N(c2cc1)C)=O
+Nc1cc2N(C(=O)C(COc2cc1)N)C
+Nc1cc2N(C(CCc2cc1)=O)C
+Nc1cc2c(Cl)n[nH]c2cc1
+Nc1cc2c(N(C(S2)=O)C)cc1
+Nc1cc2c([nH]nc2cc1)I
+Nc1cc2c(cc1)CCC2
+Nc1cc2c(cc1)ncs2
+Nc1cc2c(cc1F)C(C(CCCC)C2)=O
+Nc1cc2c(ncnc2cc1)N
+Nc1cc2c[nH]nc2cc1
+Nc1cc2cccnc2cc1
+Nc1cc2cnn(C)c2cc1
+Nc1cc2n(C)ncc2cc1
+Nc1ccc(Br)c(Cl)c1
+Nc1ccc(Br)nc1C(=O)OC
+Nc1ccc(Br)nc1OC
+Nc1ccc(C#N)c(Cl)c1
+Nc1ccc(C#N)cc1[N+]([O-])=O
+Nc1ccc(C(=O)O)cc1[N+]([O-])=O
+Nc1ccc(C(=O)OC)c2CCOc12
+Nc1ccc(C)c(C(=O)O)c1C
+Nc1ccc(C)c(Cl)c1
+Nc1ccc(C)c(I)c1
+Nc1ccc(C)cc1Br
+Nc1ccc(CC#N)cc1[N+]([O-])=O
+Nc1ccc(Cl)c(I)c1
+Nc1ccc(F)c(Br)c1
+Nc1ccc(F)c(Cl)c1
+Nc1ccc([N+]([O-])=O)cc1C#N
+Nc1ccc(c(CC)c1C)Br
+Nc1ccc(c(Cl)c1)C(=O)O
+Nc1ccc(c(F)c1O)F
+Nc1ccc(cc1C#N)F
+Nc1ccc(cc1[N+]([O-])=O)F
+Nc1ccc(cc1[N+]([O-])=O)O
+Nc1ccc2c(c1[N+](=O)[O-])cccc2
+Nc1ccc2c[nH]nc2c1C(=O)OC
+Nc1cccc(Br)c1C
+Nc1cccc(C(=O)C)c1O
+Nc1cccc(C(=O)OC)c1C
+Nc1cccc(C)c1C
+Nc1cccc(C)c1C(=O)O
+Nc1cccc(Cl)c1C
+Nc1cccc(Cl)c1C(=O)O
+Nc1cccc(F)c1C
+Nc1cccc(F)c1CO
+Nc1cccc(F)c1Cl
+Nc1cccc(F)c1F
+Nc1cccc([N+]([O-])=O)c1C
+Nc1cccc(c1C(=O)O)F
+Nc1cccc(c1N)C(=O)N
+Nc1cccc(c1N)C(=O)O
+Nc1cccc2NC(=O)Nc12
+Nc1cccc2c1ccc(Cl)n2
+Nc1cccc2c1n(cn2)C
+Nc1cccc2ccccc12
+Nc1cccc2ncccc12
+Nc1cccnc1C(=O)O
+Nc1cccnc1N
+Nc1cccnc1O
+Nc1ccnc(Cl)n1
+Nc1ccnc(O)n1
+Nc1ccnc(S)n1
+Nc1ccncc1F
+Nc1ccncn1
+Nc1ccnn1C
+Nc1ccon1
+Nc1ccsc1C(=O)N
+Nc1ccsc1C(=O)OC
+Nc1cn(C)nc1
+Nc1cnc(C#N)c(C)n1
+Nc1cnc(C)c(Br)n1
+Nc1n(C)ncc1Br
+Nc1n[nH]c(C)c1
+Nc1n[nH]c(CC(=O)O)c1
+Nc1n[nH]cc1
+Nc1nc(C(=O)O)c(-c2cc(C)ccc2)s1
+Nc1nc(C)cs1
+Nc1nc(CCl)cs1
+Nc1nc(Cl)cnc1Br
+Nc1nc(SC)cs1
+Nc1nc(nc(N)c1[N+](=O)[O-])Cl
+Nc1nc2CCNCCc2s1
+Nc1ncc(Br)cc1I
+Nc1ncc(Br)cc1[N+](=O)[O-]
+Nc1ncc(Br)nc1C#N
+Nc1ncc(C#N)s1
+Nc1ncc(C)cc1[N+](=O)[O-]
+Nc1ncc(C)s1
+Nc1ncc(C=O)s1
+Nc1ncc(c(C)c1)C
+Nc1ncc(cc1[N+](=O)[O-])C(=O)N
+Nc1nccc(Br)c1
+Nc1nccc(C(=O)O)c1
+Nc1nccc(C)c1
+Nc1nccc(CBr)c1
+Nc1nccc(CO)c1
+Nc1nccc(Cl)c1
+Nc1nccc(Cl)n1
+Nc1nccc(F)c1
+Nc1nccc(c1)C(=O)OC
+Nc1ncccc1Cl
+Nc1ncccc1I
+Nc1nccs1
+Nc1ncn(C)c1
+Nc1onc(C)c1Br
+Nc1onc(C)c1Cl
+Nc1sc(Br)nn1
+Nc1sc(C)nn1
+Nc1sc(SC)nn1
+Nc1sc(c(C)n1)C(=O)CBr
+Nc1sc(nn1)CC
+Nc1sc(nn1)CC=C
+Nc1sc(nn1)CCl
+Nc1sc2CC(CCc2n1)CN
+Nc1sc2c(cccc2)n1
+Nc1sc2cc(C#N)cc(c2n1)-c3cc([N+]([O-])=O)ccc3
+Nc1sc2cc(ccc2n1)SC#N
+Nc1sc2cccc(OC)c2n1
+O
+O(C(=O)C(C#N)=NNc1ccccc1Br)CC
+O(C(=O)C(C(OCC)=O)(C)Cc1ccc(cc1)[N+]([O-])=O)CC
+O(C(=O)C(C(OCC)=O)c1cc(cc(F)c1)OCc2ccccc2)CC
+O(C(=O)C)C=C
+O(C(=O)C)Cc1cccc2c1nccc2
+O(C(=O)C1CCCCCC1N)C
+O(C(=O)CCCCC(=O)O)C
+O(C(=O)CCCCC(Cl)=O)C
+O(C(=O)Cl)C(C)=C
+O(C(=O)Cl)C(Cl)C
+O(C(=O)Cl)CC=C
+O(C(=O)c1nc2c([nH]1)cccc2)C
+O(C(C)=O)CC(O)c1cccc([N+]([O-])=O)c1
+O(C(C)=O)CCc1c[nH]c2nc(SC)nc(O)c12
+O(C(C)=O)c1cc([N+]([O-])=O)ccc1NC(C)=O
+O(C(CCCCCCBr)=O)CC
+O(C(CCCCCNc1c2ccccc2ncc1[N+]([O-])=O)=O)CC
+O(C(CCCNc1c(cnc2ccccc12)N)=O)CC
+O(C(CCc1cc2ccccc2o1)=O)CC
+O(C(c1c(N)c(c(N)c(N)c1)Cl)=O)C
+O(C)B(OC)OC
+O(C)C(=O)C(C(OC)=O)C(C)(C)c1oc(cc1)C
+O(C)C(=O)c1cc(cc(C(OC)=O)c1)Cl
+O(C)C(=O)c1ccccc1N=C=O
+O(C)C(OC)(OC)C
+O(C)C(OC)(OC)CCCC
+O(C)C(OC)(OC)OC
+O(C)C(OC)(c1cc(OCC)c(OCC)cc1)CCC(O)=O
+O(C)C(OC)=O
+O(C)C(OC)C(=O)OC
+O(C)C(OC)C(C[N+]([O-])=O)SCc1ccccc1
+O(C)C(OC)CBr
+O(C)C(OC)CCn1cc(cn1)[N+](=O)[O-]
+O(C)C(OC)CCn1cc2c(cc([N+](=O)[O-])cc2)n1
+O(C)C(OC)CN1C=C(C(C(=C1C(NCc2cc(ccc2)Cl)=O)OCc3ccccc3)=O)C(OC)=O
+O(C)C(OC)CNC
+O(C)C(OC)COc1c(ccc(C)c1)F
+O(C)C(OC)N(C)C
+O(C)C(OC)OC
+O(C)C(OC)c1ccc(cc1)CO
+O(C)C(OC)c1nc(S)ncc1
+O(C)C(c1cccc(C(OC)=O)n1)=O
+O(C)C(c1ccccc1S)=O
+O(C)C(c1sc(C(=O)NN)cc1)=O
+O(C)C(c1sc(c(c1)C(N)=S)C)=S
+O(C)C1(OC)CCOCC1I
+O(C)C1CCNC1
+O(C)C=1C(N(C=C(Br)C=1)C)=O
+O(C)CCC1NCCNC1
+O(C)CCNCCOC
+O(C)CCOC(=O)Cl
+O(C)COC
+O(C)P(OC)(=O)C(=[N+]=[N-])C(=O)C
+O(C)P(OC)(=O)CC(=O)CCCCC
+O(C)P(OC)(CC(=O)CCCCc1nc2c(CCCN2)cc1)=O
+O(C)c1c(-c2[nH]c3ccccc3c2)nc(cc1)Cl
+O(C)c1c(F)c(c(F)c(OC)c1)-c2ccc(C(=O)OCC)c3nccnc23
+O(C)c1c(F)cccc1
+O(C)c1c(NC(C)=O)cccc1
+O(C)c1c(O)ccnc1C
+O(C)c1c(OC)cc(c(c1)F)F
+O(C)c1c(OC)ccc(c1OC)C=O
+O(C)c1c(c(c(OC)c(OC)c1OC)C)Cc2c(O)cccc2
+O(C)c1c(ccc(F)c1)OC
+O(C)c1cc(cc(OC)c1)C=O
+O(C)c1cc(cc(OC)c1)O
+O(C)c1cc(cc(OC)c1OC)C=O
+O(C)c1cc(cc(OC)c1OC)N
+O(C)c1cc2c(c(O)ncn2)c(OC)c1
+O(C)c1cc2c(c(OC)c1)c(ncn2)Nc3cc(Cl)c(cc3)F
+O(C)c1cccc(OC)c1CN
+O(C)c1cccc(OC)c1I
+O(C)c1ccccc1NN
+O(C)c1ccnc(Cl)n1
+O(C)c1ncc(O)c(I)c1
+O(C)c1ncc(c(C(=O)O)c1)F
+O(C)c1ncc2C=CCc2c1
+O(C)c1ncc2[nH]c3c(cc(cn3)OC)c2c1
+O(C)c1nccc(C(=O)O)c1
+O(C)c1nccc(N)c1
+O(C1C(OC(C(C1OC(=O)C)OC(C)=O)OC(=O)C)COC(=O)C)C(=O)C
+O(C=1C(C(C=1OCC)=O)=O)CC
+O(CC(=O)Cl)CC
+O(CC(=O)O)CCc1ccc2c(ccs2)c1
+O(CC(=O)O)c1cccnc1
+O(CC(N)(CN)C)C
+O(CC(N)C)C
+O(CC)C(=O)C(C(=O)C)=NOCC
+O(CC)C(=O)C(C)c1ncccc1
+O(CC)C(=O)C(CC)Br
+O(CC)C(=O)C(CC)C(C)=O
+O(CC)C(=O)C(CCC)Br
+O(CC)C(=O)C(n1ccc2ccc(cc12)O)C
+O(CC)C(=O)CC(CC(OCC)=O)=O
+O(CC)C(=O)c1cc(C(=O)OC)cc(-c2ccc(C)cc2C#N)c1
+O(CC)C(C(C(C)=O)Cl)=O
+O(CC)C(C(C(C)CC)F)=O
+O(CC)C(C(C)C(C)=O)=O
+O(CC)C(C(C)c1cc(C)c(cc1)[N+]([O-])=O)=O
+O(CC)C(C(C)c1cc(Cl)c(cc1)[N+]([O-])=O)=O
+O(CC)C(C(C)c1ccc(nc1)Cl)=O
+O(CC)C(C(N1C=CC=CC1=O)C)=O
+O(CC)C(C(O)c1cc(ccc1)O)=O
+O(CC)C(C(c1c(Br)cc(Br)s1)O)=O
+O(CC)C(C=CC=1C=CN(C(=O)C=1)CCCC)=O
+O(CC)C(C=Cc1cc(Br)c(F)cc1)=O
+O(CC)C(C=Cc1cc(c(Cl)cc1N)OC)=O
+O(CC)C(CCOCC)=O
+O(CC)C(CCn1c2ccccc2cc1C(NC(N)=S)=O)=O
+O(CC)C(OCC)(OCC)C
+O(CC)C(OCC)=O
+O(CC)C(OCC)Cn1cnc(-c2cc3c(c(Oc4ccc(N)cc4F)ccn3)s2)c1
+O(CC)C(OCC)c1cc2cncc(N3CCNCC3)c2o1
+O(CC)C(OCC)c1oc2c(ccc(c2)C(OC)=O)c1
+O(CC)P(OCC)(=O)CC#N
+O(CC)P(OCC)(=O)CC(=O)NC1c2ccccc2CC1
+O(CC)P(OCC)(=O)c1cc2n(nc(c2cc1)C(=O)OCC)CC(=O)O
+O(CC)P(OCC)(C(F)(F)c1c(Br)cc(C)cc1)=O
+O(CC)P(OCC)(C(F)(F)c1c(cc(C)cc1)Cl)=O
+O(CC)P(OCC)(C(F)C(OCC)=O)=O
+O(CC)P(OCC)(CCBr)=O
+O(CC)P(OCC)(CCC=O)=O
+O(CC)P(OCC)(CCCBr)=O
+O(CC)P(OCC)(Cc1ccc(OC)cc1C)=O
+O(CC)P(OCC)O
+O(CC)P(OCC)OCC
+O(CC1C(COC(=O)C)CC=CC1)C(=O)C
+O(CC1CC(NC1)=O)COC
+O(CCBr)C(=O)C
+O(CCBr)CC
+O(CCCC)N=O
+O(CCCCCBr)C(C)=O
+O(CCCCCCCCCBr)COC
+O(CCCCl)C(=O)Cl
+O(CCCN)CC
+O(CCCl)C(=O)Cl
+O(CCCl)CC
+O(CCF)C(=O)Cl
+O(CCN1C=CN=C(NCCc2ncccc2)C1=O)C(C)=O
+O(CCN=[N+]=[N-])CCOCCOCCN
+O(CCO)CCOCCO
+O(CCOCCOCCO)CCOC
+O(CN)C
+O(N(C)C(=O)Cl)C
+O(c1c(C)cccc1)CCCCCCCCBr
+O(c1c(CC)cc(C#N)c(C)n1)C
+O(c1c(CC)cc(c(C)n1)-c2cccs2)C
+O(c1c(Cl)c(c(Cl)c(OC)c1)-c2cc3cnc(SC)nc3nc2O)C
+O(c1c(F)cc(C=O)cn1)C
+O(c1c(F)cc(Cl)cn1)C
+O(c1c(N)cccn1)C
+O(c1c([N+]([O-])=O)cccc1)CCCCl
+O(c1c(c(CCC=C)cc(C)n1)C#N)C
+O(c1c(cc(Cl)cn1)C=O)C
+O(c1c(cccn1)C=O)C
+O(c1c(cccn1)CCO)C
+O(c1c2c(ccn1)[nH]cc2I)C
+O(c1c[n+](N)ccc1)C
+O(c1cc(Br)cnc1N)C
+O(c1cc(Cl)c(nc1)C(=O)C)C
+O(c1cc(Cl)cnc1N)C
+O(c1cc(NC(C)=O)ccc1[N+]([O-])=O)C(C)=O
+O(c1cc([N+]([O-])=O)cc2c1NC(CC2)=O)C(C)=O
+O(c1cc(cc(OC)c1)C(=O)N(C)OC)C
+O(c1cc(cc(OC)c1)CCc2cc(N)[nH]n2)C
+O(c1cc(cc(OC)c1)CCc2nc3c(nc2)[nH]c(Br)c3)C
+O(c1cc(cc(OC)c1)Nc2nc(c(cn2)C(OCC)=O)Cl)C
+O(c1cc(cc(OC)c1C)C(=O)O)C
+O(c1cc(cc(OC)c1OC)C(=O)N)C
+O(c1cc(cc(OC)c1OC)C)C
+O(c1cc(cc(OC)n1)C(=O)O)C
+O(c1cc2OCC(c2cc1)CC(OC)=O)C3CCc4c3c(F)ccc4O
+O(c1cccc(I)c1)c2ncccc2
+O(c1cccc(OC)c1C(CC(C(OCC)=O)=O)=O)C
+O(c1cccnc1O)C
+O(c1ccnc(Br)c1)C
+O(c1ccnc(CCl)c1)C
+O(c1nc(C)sc1C(=O)O)C
+O(c1nccc(Cl)c1C=O)C
+O(c1nccc(I)c1C=O)C
+O(c1sc(nc1)C(=N)N)C
+O1B(OB(OB1C)C)C
+O1B(OB(OB1C=C)C=C)C=C
+O1C(=O)C(C(OC1(C)C)=O)C(C2CC2)c3cc(O)ccc3
+O1C(=O)C2(CC2)C(OC1(C)C)=O
+O1C(C(=O)O)Cc2cc(Cl)ccc12
+O1C(C(=O)OC)C1
+O1C(C(CC1c2ccc(c(C)c2)F)CC=C)=O
+O1C(C)(C(C(N)CC2=CCCC2)=O)C1
+O1C(C)C(C(=O)OC)C(C1)=O
+O1C(C)C(S)CC1
+O1C(C)C1
+O1C(C)CC(CC1)=O
+O1C(C)CNCC1
+O1C(CBr)C1
+O1C(CC1)=O
+O1C(CCC)C1
+O1C(CCl)C1
+O1C(CN)COC1
+O1C(CN2CCc3ccccc3C2)C1
+O1C(CO)C1
+O1C(COC(CCC)=O)C1
+O1C(COC)C1
+O1C(COc2c3c(ccc2)[nH]c4c3cccc4)C1
+O1C(Cc2c1c(c(C)c(N)c2C)C)(CBr)C
+O1C(Nc2c(cc(Br)cn2)C1)=O
+O1C(c2c(cc(cc2)CC=C)C1)=O
+O1C(c2c(cc(cc2)F)C1)=O
+O1C(c2c(cc(cc2)NC(CCl)=O)C1)=O
+O1C2CC(NC2)C1
+O1CC(C)(C)COB1B2OCC(C)(C)CO2
+O1CC(CO)Oc2cc(cc(F)c12)Br
+O1CC(COC12CCC2)CO
+O1CC(Cn2cc([N+](=O)[O-])nc12)NC(CCl)=O
+O1CC(N=[N+]=[N-])C2OCC(N=[N+]=[N-])C12
+O1CC([N+]([O-])=O)Cc2c1c(F)ccc2C(=O)N
+O1CCC(c2ccc(cc12)O)=O
+O1CCC1CO
+O1CCCC(C1CO)O
+O1CCCC1C(=O)O
+O1CCCC1CBr
+O1CCCC1CO
+O1CCCC=C1
+O1CCCOB1c2cccnc2
+O1CCN(CC1CCl)C
+O1CCN(CC1CO)C=2SCC(N=2)=O
+O1CCN=C1C
+O1CCNC1=O
+O1CCNCC1CN
+O1CCNCC1CO
+O1CCNc2c1cc(Br)cn2
+O1CCOC1(C)C23C4CC(CC(CN5S(=O)(=O)CCC5)(C2)C4)C3
+O1CCOC12CC(C)(C)C(=O)CC2
+O1CCOC12CCC(CC2)(C#C)O
+O1CCOC12CCC(CC2)(C(OC)=O)N
+O1CCOC12CCC(CC2)(c3cccc(c3)F)O
+O1CCOC12CCC(CC2)=O
+O1CCOC12CCC(CC2)CC(c3ccc(S(=O)(=O)C)c(c3)Cl)C(OC)=O
+O1CCOC12CCC(CC2)c3cnc(N)cn3
+O1CCOC12CCN(CC2)c3ccc(cc3)C(=O)OCC
+O1CCOC12CCN(CC2)c3ccc(cc3)[N+]([O-])=O
+O1CCOC12CCNC(CC2)=O
+O1CCOC12CCNCC2
+O1CCOC12CCSC(C(C)C)C2
+O1CCOC1CC(C)C2CC(CCC2)C(C)C
+O1CCOC1CC2CC=C(C2(C)C)C
+O1CCOC1c2cc(N(C)C)c(cc2)O
+O1CCOC1c2cc(c(cc2)F)Cc3ccccc3
+O1CCOC1c2cc(ccc2)OCCCNC3=C(C(=O)C3=O)N
+O1CCOC1c2cnc(cc2)-c3sc4c(nccc4Oc5ccc(N)cc5F)c3
+O1CCOc2ccc(cc12)[N+]#[C-]
+O1CCc2c1nccc2I
+O1CCc2c[n+](N)ccc12
+O1COc2c(N)c(Cl)ccc12
+O1c2ccc(Cl)cc2NCC1C(OCC)=O
+O1c2ccc3nc(C)ccc3c2OC(CO)C1
+O1c2ccccc2CC(N)C1
+O=C(C(=NOC)C(C)=O)OC
+O=C(C(=O)C(C)=O)OCC
+O=C(C(C(Br)C)=O)OC
+O=C(C(C(Br)C)=O)OCC
+O=C(C(C(CC)NC(C)=O)=O)OCC
+O=C(C(C)(Cc1c[nH]c2c1cc(OC)cc2)N)OC
+O=C(C(C)=O)OCC
+O=C(C(C)CN)O
+O=C(C(CBr)=O)OC
+O=C(C(CC#N)=Cc1ccc(cc1[N+]([O-])=O)Br)OCC
+O=C(C(CC(OCC)=O)N1C(=O)NC(C=C1)=O)OCC
+O=C(C(CSc1cc(ccc1)OC)=O)OCC
+O=C(C(Cc1c[nH]c2c1cc(OCC)cc2)(C)[N+](=O)[O-])OC
+O=C(C(Cc1ccnc(Cl)c1[N+]([O-])=O)=O)OCC
+O=C(C(N)C)OC
+O=C(C)C(=COCC)C(OCC)=O
+O=C(C)C(C(=O)C)Cc1ccc(cc1)Cl
+O=C(C)C(Cl)C
+O=C(C)Cl
+O=C(C)NC(N)=S
+O=C(C)OCC(COC(=O)C)c1ccc(cc1)N
+O=C(C)OO
+O=C(CC(=O)OC)C(=O)OC
+O=C(CC)OC(=O)CC
+O=C(CN)O
+O=C(CN)OC
+O=C(N)C
+O=C(N)C(N)C
+O=C(N)C1CC(O)CN1
+O=C(N)CI
+O=C(N)NC
+O=C(N)NCC(C)=C
+O=C(NC(SC)=N)c1nc(c(nc1N)N)Cl
+O=C(NCCO)c1c(sc2CCCCc12)N
+O=C(O)C
+O=C(O)C#CC
+O=C(O)C(C)=C
+O=C(O)C(C)F
+O=C(O)C(N)C
+O=C(O)C1CC(O)CN1
+O=C(O)C1NCCOC1
+O=C(O)CNC
+O=C(O)COC
+O=C(O)CSC
+O=C(O)Cc1ncccc1
+O=C(O)c1c(O)c(NC=2C(C(=O)C=2OCC)=O)ccc1
+O=C(O)c1c(c(OC)ccc1)OC
+O=C(O)c1c2-c3c(C(=O)c2ccc1)cccc3
+O=C(O)c1c2c(cc(Br)c1)cccc2
+O=C(O)c1ccccc1O
+O=C(O)c1ccnn1C
+O=C(O)c1nccs1
+O=C(O)c1oc2c(cccc2)c1
+O=C(OC(c1ccccc1Cl)C)Nc2c(Br)cncc2
+O=C(OC)C(=COC)c1ccccc1CBr
+O=C(OC)C(Cl)=O
+O=C(OC)C1CC(O)CN1
+O=C(OC)C1SCCN1
+O=C(OC)CNC
+O=C(OCC)C(=NNc1c([N+]([O-])=O)cc(cc1)OCCOC)C
+O=C(OCC)C(=NO)C(C)=O
+O=C(OCC)C(=NO)C(CC)=O
+O=C(OCC)C(=NOC)C(C)=O
+O=C(OCC)C(=O)NNc1nccnc1
+O=C(OCC)C(=O)Nc1c(ccs1)C(=O)N
+O=C(OCC)C(=O)Nc1cc(ccc1[N+]([O-])=O)F
+O=C(OCC)C(=[N+]=[N-])CC
+O=C(OCC)C(C(=O)OCC)(COC)C1CCCCC1
+O=C(OCC)C(C(=O)OCC)(c1ccc(cc1)[N+](=O)[O-])C
+O=C(OCC)C(C(=O)OCC)C(c1ccc(I)cc1Cl)=O
+O=C(OCC)C(C(=O)OCC)C1CN(C1)C(=O)OCc2ccccc2
+O=C(OCC)C(C(=O)OCC)NC(=O)C
+O=C(OCC)C(C(NC(C)=O)C)=O
+O=C(OCC)C(CBr)=O
+O=C(OCC)C(CC(=O)C)=O
+O=C(OCC)C(CC(=O)CC)=O
+O=C(OCC)C(Cl)=O
+O=C(OCC)Cc1c([N+]([O-])=O)cccc1
+O=C(OCC)Cc1cccc(Oc2c(F)cccc2)c1[N+](=O)[O-]
+O=C(OCC)Cc1cccc(Oc2ccccc2Cl)c1[N+](=O)[O-]
+O=C(c1c(Cl)cc(F)c(Cl)c1)O
+O=C(c1c(F)c(c(c(c1)F)F)OC)O
+O=C(c1c(Nc2ccccc2F)c(F)c(N)c(O)c1)O
+O=C(c1c(O)c2c(cc1)cccc2)O
+O=C(c1c(c(c(cc1)F)Cl)Cl)O
+O=C(c1c(c(cc(Br)c1)C(C)=O)O)O
+O=C(c1c2OCCOc2ccc1)O
+O=C(c1c2c(cccc2)nc(c1)Cl)O
+O=C(c1c2ccc(cc2c3c(c(ccc3c1)OC)OC)C)O
+O=C(c1cc(cc(C(=O)OC)n1)CCCO)OC
+O=C(c1cccc2ccccc12)O
+O=C(c1ccccc1-n2nncn2)O
+O=C(c1ccccc1Cl)O
+O=C(c1ccccc1I)O
+O=C1C(=O)c2c(cccc2)N1CCCCC
+O=C1C(C(=O)C1)(c2ccc(cc2)C)C
+O=C1C(C(OCC)=O)CCCCCC1
+O=C1C2CC=CCC2C(=O)N1CCCCl
+O=C1C=CC(=O)N1
+O=C1C=Cc2c([N+]([O-])=O)cccc2N1CC=O
+O=C1CC(=N)NN1
+O=C1CC(c2c(N1)cccc2)C(O)=O
+O=C1CC2C(CC(C2)=O)CN1
+O=C1CCC(=O)N1
+O=C1CCC(=O)N1Cl
+O=C1CCC(=O)N1I
+O=C1CCC(=O)N1O
+O=C1CCC(=O)N1OC(=O)OCc2ccccc2
+O=C1CCC(=O)N1OC(=[N+](C)C)N(C)C
+O=C1CCC(=O)N1OC(ON2C(=O)CCC2=O)=O
+O=C1CCC(CCC(Cc2cccc(F)c2)=O)N1
+O=C1CCCC(=O)C1
+O=C1CCCCN1
+O=C1CCc2cc(O)c(O)cc12
+O=C1CN(C(N1)=O)C
+O=C1CNC(=O)N1
+O=C1N(C(=O)C)CC(=O)N(C(=O)C)C1
+O=C1N(C(=O)N(C(=O)N1Cl)Cl)Cl
+O=C1N(C(=O)NC(Cl)=C1)C
+O=C1N(C)c2c(N1C)cc(N)c(c2)Br
+O=C1N(C=CC=C1)C(N2C(=O)C=CC=C2)=S
+O=C1NC(SC1)=O
+O=C1NC2CSC(CCCCC(=O)O)C2N1
+O=C1NCCC(=O)C1
+O=C1Nc2c(CN(C)C1)cc(Br)cn2
+O=C1OC(C)(C)OC(=O)C1Cc2c[nH]c3c2cc(cc3)[N+](=O)[O-]
+O=C1OC(OC(=O)C1)(C)C
+O=C1OC(c2ccccc2N1)=O
+O=C1Oc2c(ccc(C#N)c2)N1CC=C
+O=C1c2c(C(=O)N1C3CCC(=O)C3)cccc2
+O=C1c2c(cccc2)C(=O)N1CC=C
+O=C1c2c(cccc2)C(=O)O1
+O=C1c2c(cccc2)NC(=S)N1c3ccc(c(c3)Cl)Cl
+O=C1c2ccccc2C(=O)N1C(CC(C)C)CO
+O=C1c2ccccc2C(=O)N1C3C(=O)NCC(c4occc4)SC3
+O=C1c2ccccc2C(=O)N1Cc3c4c(OC)cc(OC)cc4c(cn3)C(=O)OCC
+O=C1c2ccccc2C(=O)N1OCCCO
+O=C=Nc1cc(F)ccc1
+O=C=O
+O=CC(=O)O
+O=CC(C=O)Br
+O=CCCNC
+O=CCCNCCl
+O=CCCc1cccnc1
+O=CCCl
+O=CCO
+O=CN
+O=CNN
+O=COC
+O=Cc1[nH]c(cc1C)C
+O=Cc1[nH]ccn1
+O=Cc1c(Br)ccs1
+O=Cc1c(C(=O)O)cc(C)[nH]1
+O=Cc1c(C(NC)=O)[nH]c2c1cccc2
+O=Cc1c(C(OC)=O)cccc1
+O=Cc1c(C)ccc(c1)F
+O=Cc1c(Cl)ccc([N+]([O-])=O)c1
+O=Cc1c(Cl)cccc1F
+O=Cc1c(Cl)nc2c(c1)c(Cl)ccc2
+O=Cc1c(F)cc(cc1OC)Br
+O=Cc1c(N)cc(OC)c(OC)c1
+O=Cc1c(O)c(OC)c(cc1)[N+]([O-])=O
+O=Cc1c(O)cc2CCC3C4CCC(=O)C4(CCC3c2c1)C
+O=Cc1c(OC)c(C)cc(c1)F
+O=Cc1c(OC)cc(cc1)O
+O=Cc1c(OC)cc2c(c1)c(ncn2)Nc3cccc(Cl)c3F
+O=Cc1c(OC)ccc(c1)OC
+O=Cc1c(SCC)cccc1
+O=Cc1c(c(Cl)ccc1)Cl
+O=Cc1c(c(Cl)cnc1)Cl
+O=Cc1c(c(F)ccc1)F
+O=Cc1c(c(cc([N+]([O-])=O)c1)OC)O
+O=Cc1c(c(ccc1)OC)C
+O=Cc1c(c(ccc1)OC)F
+O=Cc1c(c(ccc1)OC)[N+]([O-])=O
+O=Cc1c(cc(O)cc1Cl)O
+O=Cc1c(cc([N+]([O-])=O)cc1)OC
+O=Cc1c(cc(cc1)F)Br
+O=Cc1c(cc(cc1F)Br)[N+]([O-])=O
+O=Cc1c(ccc([N+]([O-])=O)c1)Br
+O=Cc1c(ccc2ncccc12)[N+]([O-])=O
+O=Cc1c(cccc1)C#N
+O=Cc1c(cccc1)Cl
+O=Cc1c(cccc1F)OC
+O=Cc1c(cccc1OCOC)O
+O=Cc1c2c([nH]c1)cccc2
+O=Cc1c2c([nH]c1Cl)cccc2
+O=Cc1c2c(cccc2)ccc1
+O=Cc1c2cc(-n3ncnc3)ncc2[nH]c1
+O=Cc1c2cc(C)ccc2[nH]c1
+O=Cc1c2cc(ccc2[nH]c1)CCCl
+O=Cc1c2cc[nH]c2ccc1
+O=Cc1c2ccc(C)cc2[nH]c1
+O=Cc1c2n(nc1-c3occc3)c(Cl)ccc2
+O=Cc1c2ncccc2ccc1
+O=Cc1cc(Br)c2OCCc2c1
+O=Cc1cc(C)ccc1F
+O=Cc1cc(C)cs1
+O=Cc1cc(OC)c(O)c(Cl)c1
+O=Cc1cc(OC)ccc1Br
+O=Cc1cc(OC)ccc1F
+O=Cc1cc(OC)ccc1O
+O=Cc1cc([N+]([O-])=O)ccc1F
+O=Cc1cc(c(O)c(F)c1)OC
+O=Cc1cc(c(O)cc1O)OC
+O=Cc1cc(c(cc1F)C)Br
+O=Cc1cc(cc(Cl)c1OC)F
+O=Cc1cc(cc(F)c1)Br
+O=Cc1cc(cc(c1O)Br)Br
+O=Cc1cc(ccc1Br)F
+O=Cc1cc(ccc1Br)O
+O=Cc1cc(ccc1F)F
+O=Cc1cc(ccc1O)C(=O)OC
+O=Cc1cc(ccc1O)F
+O=Cc1cc(cnc1)Br
+O=Cc1cc2OCOc2cc1F
+O=Cc1cc2c(nc1Cl)c(Cl)ccc2
+O=Cc1cc2cc(Cl)c(OC)cc2nc1Cl
+O=Cc1cc2cc(Cl)c(OC)cc2nc1O
+O=Cc1cc2cc(OC)ccc2nc1Cl
+O=Cc1cc2cccc(C)c2nc1Cl
+O=Cc1ccc(C(=O)O)cc1O
+O=Cc1ccc(C(=O)O)s1
+O=Cc1ccc(C)cc1C
+O=Cc1ccc(NC(C)=O)nc1
+O=Cc1ccc(OC)cc1O
+O=Cc1ccc(OC)cc1OC
+O=Cc1ccc([N+]([O-])=O)o1
+O=Cc1ccc(cc1C)F
+O=Cc1ccc(cc1C=C)C#N
+O=Cc1ccc(cc1Cl)F
+O=Cc1ccc(cc1F)O
+O=Cc1ccc(cc1F)OC
+O=Cc1ccc(cc1O)F
+O=Cc1ccc(cc1O)O
+O=Cc1ccc(nc1)Cl
+O=Cc1ccc(nc1)OC
+O=Cc1ccc2c(cccc2)c1Br
+O=Cc1cccc(Br)n1
+O=Cc1cccc(C)c1O
+O=Cc1cccc(C=O)c1
+O=Cc1cccc2cc[nH]c12
+O=Cc1cccc2nonc12
+O=Cc1ccccc1Br
+O=Cc1ccccc1C
+O=Cc1ccccc1F
+O=Cc1ccccc1O
+O=Cc1ccccc1OC
+O=Cc1ccccc1OCC(=O)O
+O=Cc1ccccc1OCCCCCC(OCC)=O
+O=Cc1ccccc1[N+]([O-])=O
+O=Cc1ccnc2c(Br)cccc12
+O=Cc1cnc(Cc2cc(ccc2)OC)c3c1cc(OCCCOC(=O)C)c(OC)c3
+O=Cc1cnn(C)c1
+O=Cc1n(C)cc(c1)C(=O)OC
+O=Cc1n(ccc1)-c2ccc(C#N)cc2C
+O=Cc1n[nH]c(C)c1
+O=Cc1nc2c(cc1)cccc2O
+O=Cc1ncc(Cl)nc1Cl
+O=Cc1nccc(Br)c1
+O=Cc1ncccc1
+O=I(=O)(=O)O
+O=I(=O)Cl
+O=O
+O=S(=O)(C(C)C)NC1C(OCc2ccccc2)CCC1
+O=S(=O)(C(C)C)c1ccc(cc1)Cl
+O=S(=O)(C(C)C)c1ccc(cc1[N+]([O-])=O)C=C
+O=S(=O)(C(c1cc(F)ccc1F)c2c(cc(nc2)C(=O)O)C)c3ccc(cc3)F
+O=S(=O)(C)C(C(=O)OCC)(C)CCBr
+O=S(=O)(C)C(C(OCC)=O)(C)CCc1cnc(Br)cc1
+O=S(=O)(C)C=C
+O=S(=O)(C)CC(O)=O
+O=S(=O)(C)CCC#C
+O=S(=O)(C)CCCO
+O=S(=O)(C)CCO
+O=S(=O)(C)Cc1cc(C=2c3c(C(N(C)C=2)=O)[nH]c(C(OCC)=O)c3)c(Nc4ccc(cc4)Cl)cc1
+O=S(=O)(C)Cc1ccc(cc1O)C(O)=O
+O=S(=O)(C)Cl
+O=S(=O)(C)N(C)c1c(cc(Br)cc1)[N+]([O-])=O
+O=S(=O)(C)N(C)c1cc2c(c(c(C=3CCCC=3)o2)C(O)=O)cc1Br
+O=S(=O)(C)N(S(=O)(=O)C)c1cc(Br)ncc1I
+O=S(=O)(C)N(c1ccc2C(N(C(c2c1)=O)CC(=O)OCc3ccccc3)=O)CCO
+O=S(=O)(C)N1CC(CC1)N
+O=S(=O)(C)N1Cc2ccc(cc2CC1)O
+O=S(=O)(C)NCCN
+O=S(=O)(C)NN
+O=S(=O)(C)Nc1c(C)cc(C(NO)=N)cc1CC
+O=S(=O)(C)Nc1c(O)ccc(C(CN)O)c1
+O=S(=O)(C)Nc1c2c(cc[nH]2)ccc1
+O=S(=O)(C)Nc1cc(ccc1Nc2nc(ncc2Cl)Cl)OC
+O=S(=O)(C)Nc1cc2S(=O)(=O)NC(CC(=O)O)=Nc2cc1
+O=S(=O)(C)Nc1cc2c(cc1Br)c(c(-c3c(F)cc(cc3)F)o2)C(=O)NC
+O=S(=O)(C)OCCC
+O=S(=O)(C)OCCCCCCCCC=CCC=CCCCCC
+O=S(=O)(C)OCCF
+O=S(=O)(C)OCCc1ccc(cc1)OS(=O)(=O)C
+O=S(=O)(C)OS(=O)(=O)C
+O=S(=O)(C)Oc1ccc(cc1)O
+O=S(=O)(C)Oc1ccccc1N
+O=S(=O)(C)c1c(Cl)c2c(nc1)ccc(n2)Cl
+O=S(=O)(C)c1c(cc(cc1)F)F
+O=S(=O)(C)c1c(ccc(Br)c1)F
+O=S(=O)(C)c1c(cccc1)C(CC(OC)=O)=O
+O=S(=O)(C)c1cc(c(cc1)F)Br
+O=S(=O)(C)c1cc(ccc1)B(O)O
+O=S(=O)(C)c1cc(ccc1)F
+O=S(=O)(C)c1cc(ccn1)C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CC(O)CO
+O=S(=O)(C)c1cc2c(N(C3CCNCC3)C(=O)N2)cc1
+O=S(=O)(C)c1ccc(F)nc1C
+O=S(=O)(C)c1ccc(OC)c(C(O)=O)c1
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc([nH]3)C(O)=O)c2)O)cn1
+O=S(=O)(C)c1ccc(c(Cl)c1)C(O)=O
+O=S(=O)(C)c1ccc(c(OC)c1)Br
+O=S(=O)(C)c1ccc(c(c1)F)Br
+O=S(=O)(C)c1ccc(cc1)F
+O=S(=O)(C)c1ccc(cc1)N
+O=S(=O)(C)c1ccc(cc1)N2CCNCC2
+O=S(=O)(C)c1ccc(cc1Cl)C(C(=O)OC)=NOC2CCCC2
+O=S(=O)(C)c1ccc(cn1)Oc2cc(C)c3[nH]c(cc3c2)C(OCC)=O
+O=S(=O)(C)c1ccc(nc1)Br
+O=S(=O)(C)c1ccc2c(c1)OC(CC2)C(=O)OCC
+O=S(=O)(C)c1cccc(-c2sc(-c3cc(CBr)nn3-c4c(Cl)cccc4)cc2)c1
+O=S(=O)(C)c1cccc(C2=CCN(C(=O)OC)CC2)c1F
+O=S(=O)(C)c1ccccc1N
+O=S(=O)(C)c1cnc(CN)cc1
+O=S(=O)(C)c1nc(-c2n3c(c(N4CCN(CC4)C)ncc3)nc2)ccn1
+O=S(=O)(C)c1nc(ccn1)-c2csc(N)n2
+O=S(=O)(C)c1nc2cccnc2n1C
+O=S(=O)(C)c1nc2n(C)nc(Br)c2cn1
+O=S(=O)(C1(CC1)CCC)N
+O=S(=O)(C1CC1)N
+O=S(=O)(C1CCNCC1)NCc2ccccc2
+O=S(=O)(C1CCOCC1)c2ccc(cc2)Br
+O=S(=O)(C=C)c1cc2c(cc1)nc(N)s2
+O=S(=O)(CC(=O)C)C
+O=S(=O)(CC)Cl
+O=S(=O)(CC)NC(C1CC1)c2cncc(c2)Br
+O=S(=O)(CC)c1ccc(C#N)cc1C
+O=S(=O)(CCC(=O)OC)Cl
+O=S(=O)(CCC(OCC)=O)Cc1ccc(cc1)[N+]([O-])=O
+O=S(=O)(CCC)Nc1c(F)c(C(=O)O)c(F)cc1
+O=S(=O)(CCC)Nc1ccc(F)c(C(=O)O)c1
+O=S(=O)(CCCC(=O)OC)Cl
+O=S(=O)(CCCCC#N)NC
+O=S(=O)(CCCCC)N
+O=S(=O)(CCCCl)Cl
+O=S(=O)(CCCNC(C)=O)Cl
+O=S(=O)(CCCOc1cc(C)c(Br)cn1)C
+O=S(=O)(CCCl)Cl
+O=S(=O)(CCN)C
+O=S(=O)(CCN)O
+O=S(=O)(CCN1C(=O)C=CC(Br)=C1)C
+O=S(=O)(CCN1CCC(C1)Oc2ccc(cn2)N)C
+O=S(=O)(CCn1ccc2c1c(ncn2)Cl)C
+O=S(=O)(Cc1cc(cc2cc[nH]c12)F)C
+O=S(=O)(Cc1cc(nc(n1)Cl)Cl)C
+O=S(=O)(Cc1cc2ccccc2cc1)O
+O=S(=O)(Cc1ccccc1)Cl
+O=S(=O)(Cc1ccccc1)N
+O=S(=O)(Cc1ccccc1C(=O)OC)N
+O=S(=O)(Cl)C(C)C
+O=S(=O)(Cl)CC(C(C)C)C(=O)N1C(=O)OCC1Cc2ccccc2
+O=S(=O)(Cl)CCC
+O=S(=O)(Cl)CCCC
+O=S(=O)(Cl)CCCCCl
+O=S(=O)(Cl)CCc1ccccc1
+O=S(=O)(Cl)Cl
+O=S(=O)(Cl)N
+O=S(=O)(Cl)c1c(OC)cccc1
+O=S(=O)(Cl)c1c(c(ccc1Cl)[N+](=O)[O-])Cl
+O=S(=O)(Cl)c1c(cc(cc1)Br)Cl
+O=S(=O)(Cl)c1c(ccc(Br)c1)OC
+O=S(=O)(Cl)c1c(ccc(Cl)c1)OC
+O=S(=O)(Cl)c1c(cccc1)F
+O=S(=O)(Cl)c1cc(Br)cnc1
+O=S(=O)(Cl)c1cc(C(Cl)=O)ccc1
+O=S(=O)(Cl)c1cc(c(cc1)Cl)Cl
+O=S(=O)(Cl)c1cc(c(cc1)F)Cl
+O=S(=O)(Cl)c1cc(c(cc1C)OCC(=O)OCC)C
+O=S(=O)(Cl)c1cc(cc(Cl)c1O)Cl
+O=S(=O)(Cl)c1cc(ccc1Cl)Cl
+O=S(=O)(Cl)c1cc2c(cc1)NC(=O)C2=O
+O=S(=O)(Cl)c1ccc(C)cc1OC
+O=S(=O)(Cl)c1ccc(C)s1
+O=S(=O)(Cl)c1ccc(F)c(c1)C#N
+O=S(=O)(Cl)c1ccc(c(F)c1)Br
+O=S(=O)(Cl)c1ccc(cc1)Cl
+O=S(=O)(Cl)c1ccc(cc1)I
+O=S(=O)(Cl)c1ccc(cc1)OCC#CC
+O=S(=O)(Cl)c1ccc2ncsc2c1
+O=S(=O)(Cl)c1cccc(C#N)c1
+O=S(=O)(Cl)c1cccc(C)c1
+O=S(=O)(Cl)c1cccc(F)c1
+O=S(=O)(Cl)c1cccc(OC)c1
+O=S(=O)(Cl)c1cccc(c1C)Cl
+O=S(=O)(Cl)c1cccc2cnccc12
+O=S(=O)(Cl)c1cccc2nsnc12
+O=S(=O)(Cl)c1ccccc1Cl
+O=S(=O)(Cl)c1ccccc1[N+](=O)[O-]
+O=S(=O)(Cl)c1cccnc1
+O=S(=O)(Cl)c1cccs1
+O=S(=O)(Cl)c1ccn2c(ccn2)c1
+O=S(=O)(Cl)c1csc2ncccc12
+O=S(=O)(Cl)c1ncccc1
+O=S(=O)(Cl)c1oc2c(c1)cccc2
+O=S(=O)(Cl)c1sc(Cl)c(Br)c1
+O=S(=O)(Cl)c1sc(Cl)cc1
+O=S(=O)(N(C)C)Cl
+O=S(=O)(N(C)C)c1cc(c(cc1)N)O
+O=S(=O)(N(CC(O)=O)c1c(cccc1)OC)c2ccccc2C
+O=S(=O)(N(COC)c1cccc(-c2n[nH]cc2Br)c1F)c3c(F)ccc(F)c3
+O=S(=O)(N(c1c2cccnc2c(O)c(C(OC)=O)n1)C)c3ncn(C)c3
+O=S(=O)(N(c1ccc(F)c(C(=O)OC)c1F)C)CCC
+O=S(=O)(N)C
+O=S(=O)(N)CC
+O=S(=O)(N)CCCOC
+O=S(=O)(N)Cc1ccc(F)cc1F
+O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2ccco2
+O=S(=O)(N)c1c(S(=O)(=O)N)cccc1
+O=S(=O)(N)c1c(cc(N)cc1)Cl
+O=S(=O)(N)c1c2c(nn1C)cccc2O
+O=S(=O)(N)c1cc(Br)c(cc1)C
+O=S(=O)(N)c1cc(C)ccc1N
+O=S(=O)(N)c1cc([N+]([O-])=O)c(cc1)F
+O=S(=O)(N)c1cc(c(cc1)OC)C(=O)NCC2CCCN2CC
+O=S(=O)(N)c1cc(ccc1)Br
+O=S(=O)(N)c1cc(ccc1N)C#N
+O=S(=O)(N)c1cc(ccc1OC)CCCl
+O=S(=O)(N)c1cc2c(OCCC2CNC(N3CC(=C(CC)C3=O)C)=O)cc1OC
+O=S(=O)(N)c1ccc(Cl)s1
+O=S(=O)(N)c1ccc(OC(C)C)c(N=C=S)c1
+O=S(=O)(N)c1cccc(n1)Br
+O=S(=O)(N)c1ccccc1N
+O=S(=O)(N)c1ncc(C(C)C)cc1
+O=S(=O)(N)c1ncc(cc1)C
+O=S(=O)(N1C(C(N(CC1)C(Cc2cc3ccccc3cc2)C(OC)=O)=O)CC)c4c([N+](=O)[O-])cccc4
+O=S(=O)(N1C(C(NC=C1)=O)CC(=O)O)c2ccc(cc2)C
+O=S(=O)(N1C=CNC(C1CC#C)=O)c2cc(Cl)c(Cl)cc2
+O=S(=O)(N1CC(C)Nc2ccc(Br)cc12)c3ccc(cc3)C
+O=S(=O)(N1CCC2(OCCO2)CC1)N
+O=S(=O)(N1CCCc2ccccc12)c3cc(c(Cl)cc3)N4C(c5c(cccc5C(OC)=O)NC4=O)=O
+O=S(=O)(N1c2c(cnc(Br)c2)NC(C)C1)c3ccc(cc3)C
+O=S(=O)(N=C=O)Cl
+O=S(=O)(NC(C(C)C)C(=O)O)CC
+O=S(=O)(NC)CCCCI
+O=S(=O)(NC)Cl
+O=S(=O)(NC1CC1)Cl
+O=S(=O)(NC1CC1)c2cccc(B(O)O)c2
+O=S(=O)(NCC1=CC(C(OCc2ccccc2)=C(CO)O1)=O)c3cc(C)ccc3
+O=S(=O)(NCCCC)Cc1ccccc1
+O=S(=O)(NCCc1c(OCOC)cc(cc1)-c2ccccc2S(=O)(=O)C)c3cc(ccc3OC)C#N
+O=S(=O)(Nc1c(F)cc(cc1C#C)CN)C
+O=S(=O)(Nc1cc(N)ccc1)C
+O=S(=O)(Nc1cc(O)ccc1)N(C)C
+O=S(=O)(Nc1cc(ccc1O)C(=O)OC)c2c(ccc(Cl)c2)OC
+O=S(=O)(Nc1ccc(c(O)c1)C(OC)=O)c2cc(c(s2)Cl)Br
+O=S(=O)(Nc1ccc2c(c1C(=O)OC)OCC3CC23)c4c(cc(F)cc4)CN
+O=S(=O)(Nc1cccc(C(=O)OCC)c1)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3
+O=S(=O)(O)C
+O=S(=O)(O)Cc1ccc(cc1)Cc2ccc(cc2)[N+]([O-])=O
+O=S(=O)(O)Cl
+O=S(=O)(O)N
+O=S(=O)(O)O
+O=S(=O)(O)c1cc(CCOC(C)=O)c(c2ccccc12)Br
+O=S(=O)(O)c1ccc(c2c1cccc2)N
+O=S(=O)(O)c1ccc(cc1)O
+O=S(=O)(OC)OC
+O=S(=O)(OCC1CCN(c2ccccn2)C1)C
+O=S(=O)(OCC1CO1)c2cccc([N+]([O-])=O)c2
+O=S(=O)(OCC1OCCC1)c2ccc(cc2)C
+O=S(=O)(OCCC1C(F)(F)C1)C
+O=S(=O)(OCCCCOC)C
+O=S(=O)(OCCOCCOCCOCCN=[N+]=[N-])C
+O=S(=O)(OCCOS(=O)(=O)C)C
+O=S(=O)(ON)O
+O=S(=O)(Oc1c(NC(=O)c2cccc3[nH]ccc23)cccc1)c4ccc(cc4)C
+O=S(=O)(c1[nH]c(nn1)N)Nc2c(Cl)ccc(C)c2Cl
+O=S(=O)(c1[nH]c2c(CCCC2)n1)C
+O=S(=O)(c1c(-c2ccc(c(c2)F)N)cccc1)C
+O=S(=O)(c1c(Br)cc(F)cc1)Cl
+O=S(=O)(c1c(C#N)ccc(C)c1)Cl
+O=S(=O)(c1c(C)cccc1)Cl
+O=S(=O)(c1c(CC)cc(cc1)Br)Cl
+O=S(=O)(c1c(Cl)ccc(N)c1)N
+O=S(=O)(c1c(Cl)ccc([N+]([O-])=O)c1Cl)N(C)C
+O=S(=O)(c1c(F)c(F)c(cc1)F)Cl
+O=S(=O)(c1c(F)cc(C=C([N+]([O-])=O)C)cc1)C
+O=S(=O)(c1c(F)cc(F)cc1)Cl
+O=S(=O)(c1c(O)c(c(C(OC)=O)cc1)C)C
+O=S(=O)(c1c(c(Cl)c(cc1)C(=O)OC)C=O)C
+O=S(=O)(c1c(c(Cl)ccc1)Cl)Cl
+O=S(=O)(c1c(cc(F)c(F)c1)F)Cl
+O=S(=O)(c1c(cc(cc1)Cl)Cl)Cl
+O=S(=O)(c1c(ccc(C(O)=O)c1)Br)Cl
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1)C)Cl
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1)Cl)Cl
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1)N)N
+O=S(=O)(c1c(cccc1)Cl)N=C=O
+O=S(=O)(c1c(cccc1)N=C=O)F
+O=S(=O)(c1c(cccc1)OC)N(Cc2ccccc2C(=O)OC)C(Cc3ccccc3)CN4C(c5ccccc5C4=O)=O
+O=S(=O)(c1c(cccc1)[N+]([O-])=O)NCCC
+O=S(=O)(c1c(cccc1C)Cl)Nc2cc(Br)cnc2Cl
+O=S(=O)(c1c(cnc(-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)Cl)n1)F)C
+O=S(=O)(c1c(nc(Cl)cc1)C)N(CC)CC
+O=S(=O)(c1c(nccc1)O)NC(=O)c2ccc(nc2Cl)Cl
+O=S(=O)(c1c2-c3n(ncc3CCc2c(s1)C(=O)OCC)C)C
+O=S(=O)(c1c2ccccc2ccc1)CCl
+O=S(=O)(c1c[nH]c2nc(-c3cc(c(OC)cc3)F)nc(C)c12)C
+O=S(=O)(c1cc(-c2cnc(O)c3[nH]c4ncc(cc4c23)C)ccc1)CC
+O=S(=O)(c1cc(Br)ccc1Cl)Cl
+O=S(=O)(c1cc(C(=O)N)ccc1OC)Cl
+O=S(=O)(c1cc(C(=O)O)c(F)cc1)C
+O=S(=O)(c1cc(C(=O)O)ccc1Cl)N
+O=S(=O)(c1cc(C(=O)OC)ccc1)n2c(-c3ccccc3)cc(c2)C=O
+O=S(=O)(c1cc(C(C)=O)ccc1)Cl
+O=S(=O)(c1cc(C(O)=O)c(F)cc1)N
+O=S(=O)(c1cc(Cl)c(cc1)F)C
+O=S(=O)(c1cc(F)c(cc1)F)Cl
+O=S(=O)(c1cc(F)c(cc1)N2CCNCC2)C
+O=S(=O)(c1cc(F)ccc1C)Cl
+O=S(=O)(c1cc(F)ccc1F)Cl
+O=S(=O)(c1cc(c(Br)s1)-c2c(C)nc(NC(C)=O)s2)Cl
+O=S(=O)(c1cc(c(Cl)cc1)[N+]([O-])=O)Cl
+O=S(=O)(c1cc(c(F)cc1)[N+]([O-])=O)C
+O=S(=O)(c1cc(c(N)cc1)F)C
+O=S(=O)(c1cc(c(c(F)c1)C(OC)=O)O)C
+O=S(=O)(c1cc(c(cc1[N+](=O)[O-])F)C)O
+O=S(=O)(c1cc(c(nc1)Cl)Br)Cl
+O=S(=O)(c1cc(ccc1)Br)c2ccc(nc2)C=Cc3ccc(cc3F)F
+O=S(=O)(c1cc(ccc1)C)N2c3c(ncc(C(=O)OC)c3)CCC2
+O=S(=O)(c1cc(ccc1)CC(=O)O)C
+O=S(=O)(c1cc(ccc1)OC)N
+O=S(=O)(c1cc(ccc1)[N+](=O)[O-])Cl
+O=S(=O)(c1cc(ccc1)[N+]([O-])=O)N
+O=S(=O)(c1cc2C(CCc2cc1)=O)C
+O=S(=O)(c1cc2CCN(c2cc1)C(C)=O)Cl
+O=S(=O)(c1cc2c(cc1)cc(Cl)cc2)Cl
+O=S(=O)(c1cc2c(cc1)cccc2)Cl
+O=S(=O)(c1cc2c(ccc(COC)c2)s1)N
+O=S(=O)(c1cc2c(ccc(c2)C(=O)O)cc1)C
+O=S(=O)(c1ccc(-c2c(nc(NC(=O)N)s2)C)cc1F)C
+O=S(=O)(c1ccc(C(=O)O)c(N)c1)C
+O=S(=O)(c1ccc(C(OC)=O)c(C)c1C=2CCON=2)C
+O=S(=O)(c1ccc(NC(CCCc2ccc(cc2)Br)=O)cc1C#N)CC
+O=S(=O)(c1ccc(O)c(c1)F)C
+O=S(=O)(c1ccc(OCC2CC2)c(c1)Br)C
+O=S(=O)(c1ccc(c(C)c1)B(O)O)N(C)C
+O=S(=O)(c1ccc(c(C)c1)N)N
+O=S(=O)(c1ccc(c(F)c1)F)C
+O=S(=O)(c1ccc(c(O)c1)C(O)=O)Cl
+O=S(=O)(c1ccc(c(c1)F)C(=O)O)C
+O=S(=O)(c1ccc(c(c1)OC)OC)Cl
+O=S(=O)(c1ccc(cc1)-c2c(sc(N)n2)Cl)N
+O=S(=O)(c1ccc(cc1)-n2c(-c3ccc(cc3)F)cnc2)C
+O=S(=O)(c1ccc(cc1)-n2ncc3c(ncnc23)O)C
+O=S(=O)(c1ccc(cc1)Br)Cl
+O=S(=O)(c1ccc(cc1)C)NC2C(C)(N=[N+]=[N-])CCC2
+O=S(=O)(c1ccc(cc1)C)OCC(COS(=O)(=O)c2ccc(cc2)C)(O)C(F)(F)F
+O=S(=O)(c1ccc(cc1)C)OCC2(CCCCC2)C
+O=S(=O)(c1ccc(cc1)C)OCC2CO2
+O=S(=O)(c1ccc(cc1)C)OCC2OC(N(Cc3ccc(cc3)F)C2)=O
+O=S(=O)(c1ccc(cc1)C)OCCC#C
+O=S(=O)(c1ccc(cc1)Cl)NC2C(C)CCCC2
+O=S(=O)(c1ccc(cc1)F)c2ccccc2C=O
+O=S(=O)(c1ccc(cc1)I)C
+O=S(=O)(c1ccc(cc1)OCc2c3c(nc(c2)C)cccc3)Cl
+O=S(=O)(c1ccc(cc1[N+]([O-])=O)C)O
+O=S(=O)(c1ccc2ccccc2c1)N
+O=S(=O)(c1ccc2ncnc(O)c2c1)O
+O=S(=O)(c1cccc(Br)c1)Cl
+O=S(=O)(c1cccc(Br)c1)c2c(sc(c2)C(N)=N)SC
+O=S(=O)(c1cccc(C(O)=O)c1)Cl
+O=S(=O)(c1cccc(C=CC(=O)OC)c1)O
+O=S(=O)(c1cccc(Cl)c1)c2ccc3c(CCCC3=O)c2
+O=S(=O)(c1cccc(N)c1)F
+O=S(=O)(c1cccc([N+]([O-])=O)c1)O
+O=S(=O)(c1cccc(c1)Br)CCCO
+O=S(=O)(c1cccc(c1)Cl)Cl
+O=S(=O)(c1cccc(c1)N2C(=O)c3c(NC2=O)csc3C(O)=O)N4c5ccccc5CCC4
+O=S(=O)(c1ccccc1)C(C2=CC(C(OCc3ccccc3)=C(C(O)=O)N2C)=O)N
+O=S(=O)(c1ccccc1)Cc2ccc(Br)c(c2C(OCC)=O)OC
+O=S(=O)(c1ccccc1)N(S(=O)(=O)c2ccccc2)F
+O=S(=O)(c1ccccc1)N2C(CNCC2)C
+O=S(=O)(c1ccccc1)n2ccc(C=C[N+](=O)[O-])c2
+O=S(=O)(c1ccccc1C)N
+O=S(=O)(c1ccccc1C)NN=C(C(Cl)Cl)C
+O=S(=O)(c1ccccc1F)Nc2c(c3OCC4CC4c3cc2)C(OC)=O
+O=S(=O)(c1ccccc1OC)N(C)c2c3[nH]c(C(O)=O)cc3ccc2
+O=S(=O)(c1ccccc1[N+](=O)[O-])N2CC2C3CC(C(=O)O3)C
+O=S(=O)(c1ccccc1[N+](=O)[O-])N2CC2C3OC(=O)C(C3)CC
+O=S(=O)(c1ccccn1)Nc2c3n(COC)c(cc3ccc2)C(=O)OCC
+O=S(=O)(c1cccnc1C(O)=O)CC
+O=S(=O)(c1ccco1)Cl
+O=S(=O)(c1cccs1)N(c2ccc(C)c3cc(C(=O)O)[nH]c23)C
+O=S(=O)(c1cccs1)N(c2cccc3c2[nH]c(C(OCC)=O)c3)C
+O=S(=O)(c1ccoc1)Cl
+O=S(=O)(c1cnc(Oc2cc3cc(C(OCC)=O)[nH]c3c(OS(=O)(=O)C)c2)cc1)C
+O=S(=O)(c1nc(-n2cnc3c2cccc3)ccn1)C
+O=S(=O)(c1ncc(Oc2cc(-c3ccc(C(OCc4ccccc4)=O)[nH]3)cc(c2)OC(COC)C)cc1)C
+O=S(=O)(c1ncc2C=C(Br)C(=O)N(C)c2n1)C
+O=S(=O)(c1ncc2c(c(ncc2)Cl)n1)C
+O=S(=O)(c1ncc2c(n1)NC(=O)N(c3c(cccc3)Cl)C2)C
+O=S(=O)(c1ncc[nH]1)C
+O=S(=O)(c1nnc(-c2ccnc(OC)c2)n1C)C
+O=S(=O)(c1nnc(s1)N)C
+O=S(=O)(c1sc2c(cccc2)c1)Cl
+O=S(=O)(n1c2c(C)ccnc2cc1)c3ccccc3
+O=S(=O)(n1c2cc(ccc2c(-c3ccc(c(N)c3)N)c1)F)c4ccccc4
+O=S(=O)(n1cc(cc1Br)C(=O)OC)c2ccccc2
+O=S1(=O)CC(CC1)C(O)=O
+O=S1(=O)CC(CC1)Nc2c(cc(cc2)Cl)F
+O=S1(=O)CCC(C1)c2c3c(c(cc(c3)Br)C(OCC)=O)[nH]c2
+O=S1(=O)CCC(c2cc(c(cc2)Br)C)=CC1
+O=S1(=O)CCCN1
+O=S1(=O)CCN(CC1)C(Cl)=O
+O=S1(=O)Cc2ccccc2N1
+O=S1(=O)N(C(C)C)C(C(O)=C1c2ccccc2)=O
+O=S1(=O)N(CC(c2[nH]ccc12)=O)C
+O=S1(=O)NC(=O)CN1c2c(cc3ccc(Br)cc3c2)O
+O=S1(=O)NCCNCC1
+O=S1(=O)c2c(NC(N1c3ccc(cc3)Cl)=O)cc(OC)cc2
+O=S1(=O)c2c(cc(c(CCC(=O)OCC)c2)OC)C(c3ccccc3)NC(CC)(C1)CCCC
+O=S1(=O)c2c(cc(c(c2C(CC1)O)C)C(O)=O)C
+O=S1(=O)c2c(ccc(c2)C(O)=O)C(=O)c3cc(ccc13)F
+O=S=O
+O=[Mn](=O)(=O)O
+O=[N+]([O-])c1c(cc2CCCc2c1)NC(=O)C
+O=[N+]([O-])c1cc(c(cc1[N+](=O)[O-])C(=O)O)Cl
+O=[N+]([O-])c1cc(cc([N+](=O)[O-])c1)S
+O=[N+](c1c2ccccc2c(CC(=O)OCC)c(c1)[N+](=O)[O-])[O-]
+O=[N+](c1cc(C(CCCCCl)=O)c(cc1OC)OC)[O-]
+O=[N+](c1cccc([N+](=O)[O-])c1C#N)[O-]
+O=[N+]=O
+O=[Os](=O)(=O)=O
+O=[Se]=O
+OB(O)C
+OB(O)C(=C)C
+OB(O)C1CC1
+OB(O)C=1CCCCC=1
+OB(O)C=Cc1ccccc1
+OB(O)CC(C)C
+OB(O)CCC
+OB(O)Oc1cc(C#N)c(F)cc1
+OB(O)Oc1cc(c(cc1)OCc2ccccc2)C#N
+OB(O)Oc1ccc(c(F)c1)OCC
+OB(O)Oc1ccc(c(c1)OC)OC
+OB(O)Oc1ccc(cc1)OCCOCCCC
+OB(O)Oc1cccc(OC)c1
+OB(O)c1c(C(O)=O)cccc1
+OB(O)c1c(C)cc(OC)cc1
+OB(O)c1c(C)cccc1
+OB(O)c1c(C)onc1C
+OB(O)c1c(C=O)ccc(OC)c1
+OB(O)c1c(C=O)cccc1
+OB(O)c1c(CC)cccc1
+OB(O)c1c(Cl)ccc(Cl)c1
+OB(O)c1c(Cl)cccc1Cl
+OB(O)c1c(Cl)nccc1
+OB(O)c1c(F)c(c(OCc2ccccc2)cc1)F
+OB(O)c1c(F)c(ccc1)Cl
+OB(O)c1c(F)cc(Cl)cc1
+OB(O)c1c(F)ccc(c1)C#N
+OB(O)c1c(F)ncc(Cl)c1
+OB(O)c1c(F)ncc(c1)Br
+OB(O)c1c(F)nccc1
+OB(O)c1c(N)cccc1
+OB(O)c1c(O)ccc(Cl)c1
+OB(O)c1c(OC)cc(cc1)F
+OB(O)c1c(OC)ccc(Br)c1
+OB(O)c1c(SC)cccc1
+OB(O)c1c(c(c(cc1)F)F)F
+OB(O)c1c(c(ccc1)OC)F
+OB(O)c1c(c(ccc1)OC)O
+OB(O)c1c(cc(C(O)=O)cc1)Cl
+OB(O)c1c(cc(F)nc1)C
+OB(O)c1c(cc(OCc2ccccc2)cc1)C
+OB(O)c1c(cc(c(F)c1)C)F
+OB(O)c1c(cc(cc1)OC)Cl
+OB(O)c1c(cc(cc1)OC)F
+OB(O)c1c(ccc(Cl)c1)OCC
+OB(O)c1c(ccc(c1)C)C
+OB(O)c1c(cccc1)Cl
+OB(O)c1c(cccc1)O
+OB(O)c1c(cccc1)OC
+OB(O)c1c(cccc1)OCC
+OB(O)c1c(cccc1F)OC
+OB(O)c1c(cccc1OC)Cl
+OB(O)c1c(ccnc1)C
+OB(O)c1c(cnc(F)c1)Cl
+OB(O)c1c(nc(nc1)OC)OC
+OB(O)c1c(nccc1)OC
+OB(O)c1c2c(c3ccccc3s2)ccc1
+OB(O)c1c2c(ccc1C)nccc2
+OB(O)c1c2cc[nH]c2ccc1
+OB(O)c1cc(Br)ccc1
+OB(O)c1cc(C#N)cc(F)c1
+OB(O)c1cc(C#N)ccc1
+OB(O)c1cc(C)c(OC)cc1
+OB(O)c1cc(C=O)c(F)cc1
+OB(O)c1cc(Cl)c(C(OC)=O)cc1
+OB(O)c1cc(Cl)c(F)cc1
+OB(O)c1cc(F)c(c(F)c1)F
+OB(O)c1cc(F)c(cc1)C=O
+OB(O)c1cc(F)ccc1OC
+OB(O)c1cc(N(C)C)ccc1
+OB(O)c1cc(O)cc(c1)F
+OB(O)c1cc(OC)c(c(c1)OC)OC
+OB(O)c1cc(OC)cc(c1)F
+OB(O)c1cc(OC)cc(c1)OC
+OB(O)c1cc(OC)ccc1
+OB(O)c1cc(OC)ccc1F
+OB(O)c1cc(OC)ncc1
+OB(O)c1cc(c(C(NC)=O)cc1)Cl
+OB(O)c1cc(c(Cl)cc1)C(=O)OC
+OB(O)c1cc(c(Cl)cc1)F
+OB(O)c1cc(c(cc1)F)C(=O)O
+OB(O)c1cc(c(cc1)OC)OC
+OB(O)c1cc(cc(OC)c1)Cl
+OB(O)c1cc(ccc1)C(=O)O
+OB(O)c1cc(ccc1)CC#N
+OB(O)c1cc(ccc1)CO
+OB(O)c1cc(ccc1)F
+OB(O)c1cc(ccc1)NS(=O)(=O)CC
+OB(O)c1cc(ccc1C#N)Cl
+OB(O)c1cc(ccc1C)C(O)=O
+OB(O)c1cc(ccc1F)Cl
+OB(O)c1cc(ccc1O)F
+OB(O)c1cc(ccc1OC)C(C)C
+OB(O)c1cc(ccc1OC)C=O
+OB(O)c1cc(ccc1OC)Cl
+OB(O)c1cc(ccc1OC)OC
+OB(O)c1cc(cnc1)S(=O)(=O)C
+OB(O)c1cc(cnc1F)OCCOC
+OB(O)c1cc(ncc1Cl)Cl
+OB(O)c1cc2C(C)(C)OC(=O)Nc2cc1
+OB(O)c1cc2CNCCOc2cc1
+OB(O)c1cc2OCOc2cc1
+OB(O)c1cc2c(c3c1cccc3)cccc2
+OB(O)c1cc2cc[nH]c2cc1
+OB(O)c1cc2ccc(OC)cc2cc1
+OB(O)c1ccc(C#N)n1C
+OB(O)c1ccc(C(=O)NCc2ccccc2)c(F)c1
+OB(O)c1ccc(C(OC)=O)cc1F
+OB(O)c1ccc(C(OCC)=O)c(F)c1
+OB(O)c1ccc(C)cc1C
+OB(O)c1ccc(Cl)c(C(=O)OCC)c1
+OB(O)c1ccc(Cl)c(Cl)c1
+OB(O)c1ccc(Cl)c(N)c1
+OB(O)c1ccc(Cl)s1
+OB(O)c1ccc(F)c(C(Nc2ccccc2)=O)c1
+OB(O)c1ccc(F)c(c1)C
+OB(O)c1ccc(F)c(c1)F
+OB(O)c1ccc(F)cc1F
+OB(O)c1ccc(OC)c(c1)F
+OB(O)c1ccc(c(C#N)c1)F
+OB(O)c1ccc(c(C)c1)C
+OB(O)c1ccc(c(F)c1)C#N
+OB(O)c1ccc(c(F)c1F)CCCCCCCC
+OB(O)c1ccc(c(F)c1F)OCC
+OB(O)c1ccc(c(c1)[N+](=O)[O-])F
+OB(O)c1ccc(cc1)-c2ccc(cc2)CCCC
+OB(O)c1ccc(cc1)NC(=O)C
+OB(O)c1ccc(cc1)NS(=O)(=O)C
+OB(O)c1ccc(cc1)O
+OB(O)c1ccc(cc1)OC
+OB(O)c1ccc(cc1)OC(C)C
+OB(O)c1ccc(cc1)Oc2ccccc2
+OB(O)c1ccc(cc1)S(=O)(=O)C
+OB(O)c1ccc(cc1)S(=O)(=O)C(C)C
+OB(O)c1ccc(cc1)S(=O)(=O)CCOC
+OB(O)c1ccc(cc1)S(=O)C
+OB(O)c1ccc(cc1)SC
+OB(O)c1ccc(cc1)SC(C)C
+OB(O)c1ccc(cc1C)F
+OB(O)c1ccc(cc1C)OCOC
+OB(O)c1ccc(cc1C2CC2)OCc3ccccc3
+OB(O)c1ccc(cc1F)S(=O)(=O)C
+OB(O)c1ccc(cc1OC)OC
+OB(O)c1ccc(nc1)C
+OB(O)c1ccc2c(c1)OCCO2
+OB(O)c1ccc2c(cnn2C)c1
+OB(O)c1ccc2ccccc2c1
+OB(O)c1cccc(C(=O)C)c1
+OB(O)c1cccc(C(=O)OCC)c1
+OB(O)c1cccc(C(C)C)c1
+OB(O)c1cccc(C)c1
+OB(O)c1cccc(C=C)c1
+OB(O)c1cccc(C=O)c1
+OB(O)c1cccc(C=O)c1F
+OB(O)c1cccc(Cl)c1
+OB(O)c1cccc(NC(=O)C)c1
+OB(O)c1cccc(SC)c1
+OB(O)c1cccc([N+](=O)[O-])c1
+OB(O)c1cccc(c1)N
+OB(O)c1cccc(c1)O
+OB(O)c1cccc(c1)OCC
+OB(O)c1cccc(c1F)F
+OB(O)c1ccccc1-c2nnn[nH]2
+OB(O)c1ccccc1C#N
+OB(O)c1ccccc1C(=O)OC
+OB(O)c1ccccc1F
+OB(O)c1ccccc1S(=O)(=O)C
+OB(O)c1ccccc1[N+](=O)[O-]
+OB(O)c1ccn[nH]1
+OB(O)c1ccnc(Cl)c1
+OB(O)c1ccnc(c1)C
+OB(O)c1ccnc(c1)F
+OB(O)c1ccncc1C
+OB(O)c1ccncc1Cl
+OB(O)c1ccoc1
+OB(O)c1ccsc1
+OB(O)c1cnc(Cl)cc1
+OB(O)c1cnc(F)cc1
+OB(O)c1cnc(N)cc1
+OB(O)c1cnc(OC)cc1
+OB(O)c1cnc(c(C)c1)F
+OB(O)c1cnc(cc1)OCCCCCCCC
+OB(O)c1cncc(C(OC)=O)c1
+OB(O)c1cncc(F)c1
+OB(O)c1cncc(OC)c1
+OB(O)c1cncc2ccccc12
+OB(O)c1cnccc1
+OB(O)c1cncnc1
+OB(O)c1ncccc1
+OB(O)c1oc(cc1)C
+OB(O)c1oc2ccccc2c1
+OB(O)c1occc1
+OB(O)c1sc(cc1)C=O
+OB(O)c1sc2c(cccc2)c1
+OB(O)c1sccc1
+OC(=O)C(O)=O
+OC(=O)C(O)C(C(O)=O)O
+OC(=O)C1C(CCCC1)C(NCC#N)=O
+OC(=O)CC(CC(O)=O)(C(=O)O)O
+OC(=O)c1c(N)cc2ccccc2c1
+OC(=O)c1cc2ccccc2[nH]1
+OC(C(=O)N)C
+OC(C(=O)O)C
+OC(C(=O)OC)C
+OC(C(C(=O)OC)CC(C)=C)CCC
+OC(C(C(=O)OC)N)C
+OC(C(N)C(=O)O)C
+OC(C(N)CC)C
+OC(C(N)CO)C
+OC(C)=S
+OC(C)CN
+OC(C1(N(CC1)C(=O)Cc2c3c(cccc3)sc2)C)=O
+OC(C1C(N2C1C(C)C(SC=Cc3scnc3CO)=C2C(=O)O)=O)C
+OC(C=C)C
+OC(CC#C)C
+OC(CC(=O)O)C
+OC(CC)C
+OC(CC)CN
+OC(CC=C)C
+OC(CCC)C
+OC(CCC)CN
+OC(CCCC)CC#C
+OC(CCCl)C
+OC(CCO)C
+OC(CCSC)C(=O)O
+OC(CCl)CC#N
+OC(CN)c1ccco1
+OC(CO)CC(OCC)=O
+OC(CO)CCl
+OC(CO)CN
+OC(CO)CS
+OC(CO)Cc1[nH]ccn1
+OC(COC)C
+OC(COC)CC
+OC(COCC)CN
+OC(O)(C)OCC
+OC(O)=O
+OC(O)OC
+OC(O)OCC
+OC(c1cccnc1N)C
+OC(c1sc(C(=O)OCC)c2-c3ccccc3Oc4ccccc4-c12)=O
+OC12C(C)(C(CC#N)CC1)CCC3C2CCC4CC(OC(C)=O)CCC34C
+OC12CC3(CC(O)(CC(C1)C3)C2)N
+OC1=C(CN(C)C1=O)C(N(Cc2cc(c(cc2)Cl)Cl)C)=O
+OC=1C=C(OC(C=1)=O)C
+OC=C(C(OCC)=O)Cl
+OC=O
+OCC(CO)(C)N
+OCC(CO)(NC(CCl)=O)c1cccc(Br)n1
+OCC(CO)(c1ccc(cc1)[N+](=O)[O-])O
+OCC(CO)CCCC
+OCC(CO)CO
+OCC(CO)N
+OCC(O)C(O)CO
+OCC1(OCC(OC1)(CO)O)O
+OCC1N(CCCCCCC(OC)=O)C(=O)CCC1
+OCC1OC(N2C=C(C(NC2=O)=O)C)CC1O
+OCCC=CCCCC
+OCCCCBr
+OCCCCC
+OCCCCCCO
+OCCCCCl
+OCCCCN
+OCCCCOC=C
+OCCCNCCN
+OCCO
+OCCOCCOCCOCCOCCO
+OCCc1cccc(F)c1
+OCCc1ncc2ccccc2c1
+OCc1c(F)c(ccc1F)F
+OCc1cnccn1
+OCc1cocn1
+OCc1ncccc1
+OCl
+OCl=O
+ON
+ON=C(C(OCC)=O)Cl
+ON=C(C)Cl
+ON=CC
+ON=O
+ONC
+OO
+OP(O)(O)=O
+OS(O)(=S)=O
+OS(O)=O
+O[PH2]=O
+Oc1c(C#N)cnn2c1cc(c2)Br
+Oc1c(C(CNCC(OC)=O)=O)cccc1[N+]([O-])=O
+Oc1c(O)ccc(CCC(=O)O)c1
+Oc1c(c(Cl)c(N)cc1)Cl
+Oc1c(ccc(C(=O)OCC)c1)O
+Oc1c(ccc(c1)C(CCCC(=O)O)=O)O
+Oc1c(cccc1)CCO
+Oc1c(cccc1)OC
+Oc1c(cccc1C)C(=O)O
+Oc1c(cccc1C)O
+Oc1c2CCCCc2c(cc1)C=O
+Oc1c2c(CCCC2)c(cc1)CC(OCC)C(=O)OCC
+Oc1c2c(ccc1)n(Cc3c(cccc3)Cl)c4c2c(C(OC)=O)ccc4
+Oc1c2c(nc(-c3cc(ccc3)OC)n1)cccc2
+Oc1c2c(nc(-c3cc(ccc3)[N+]([O-])=O)n1)cccc2
+Oc1c2ccccc2cc(n1)C
+Oc1cc(Cl)ncn1
+Oc1cc(cc(O)c1)C
+Oc1cc(cc(O)c1)C(=O)OC
+Oc1cc(cc(O)c1Br)C(=O)O
+Oc1cc(ccc1O)C=O
+Oc1ccc2C(CCCCCCO)=C(CCCc2c1)c3cc(ccc3)O
+Oc1ccc2c(c1)CCCC2
+Oc1cccc(O)c1C
+Oc1ccccc1Br
+Oc1ccccc1C(CBr)=O
+Oc1nc(nc2c1cccc2)CCl
+Oc1nc2c(C(CCC2)=O)cc1
+Oc1nc2c(cc1)cccc2O
+Oc1nc2c(cc1)ncc(c2)Br
+Oc1nc2ccccc2nc1
+Oc1ncc2c(cccc2)c1
+S
+S(C)C(SC)=C(C#N)C#N
+S(C)C(SC)=NC#N
+S(C)c1cc(ccc1C(=O)O)F
+S(C)c1ccc(cc1C)O
+S(OO)(O)=O
+S(P(OCC)(O)=S)CC
+S(Sc1ncccc1)c2ncccc2
+S(c1c(N)c(Cl)ccc1)C
+S(c1cc(ccc1)C(=O)c2n(C)nnn2)C
+S(c1ccc(Cl)c(c1)C(=O)O)C
+S(c1ccc(cc1F)O)C
+S(c1cnc(c(Oc2ccnn2CC)c1)N)c3ccccn3
+S(c1cnc(cc1)Cl)C
+S1C=2N(C=C1C(=O)O)C(NC(C=2C)=O)=O
+S1CNc2ccccc12
+S1P2(SP3(SP1(SP(S2)(S3)=S)=S)=S)=S
+S=C1NN=C(C)N1N
+S=C1NNC(N)=N1
+S=C=NCCCCC
+S=C=S
+SC
+SC#N
+SC(=O)C
+SC(CO)C
+SC(OCC)=S
+SCC(=O)N
+SCC(=O)OC
+SCC(N)C(=O)O
+SCCS
+Sc1c(cccc1C)C(=O)O
+Sc1ccccc1OC
+Sc1nccc(C)n1
+[C-]#N.[Cu+]
+[C-]#[N+]CC(=O)OC
+[Cu]Br
+[Cu]Cl
+[Cu]I
+[Li]C
+[Mg+]C
+[Mg]
+[Mg](Br)C#CC
+[Mg](C)Br
+[Mg](CCCCCC)Br
+[N+](=N)=[N-]
+[N+](=NC1CC(C(=O)OC)NC1)=[N-]
+[N+](=NC1CCNCC1O)=[N-]
+[N+](=O)([O-])O
+[N+](=O)([O-])c1cc(O)c2ccccc2c1CC(=O)OCC
+[N+](=O)([O-])c1ccc(c2ccccc12)F
+[N+](=O)(c1cc(cc([N+](=O)[O-])c1C)C(=O)O)[O-]
+[N+](C)(=O)[O-]
+[N+]([O-])(=O)c1c(cc(O)c(F)c1)F
+[N+]([O-])(=O)c1c(cccc1)I
+[N+]([O-])(=O)c1ccccc1-c2nc3c(cccc3)n2CC=C
+[N+]([O-])(=O)c1cnccc1Nc2ccc3c(c2)CC(C#N)C3
+[N+]([O-])(c1cc2c(O)c(C#N)cnn2c1)=O
+[N+]([O-])(c1cccc(c1C)C(=O)O)=O
+[N+](c1c(Br)cc(Br)nc1)([O-])=O
+[N+](c1c(Br)cccc1)([O-])=O
+[N+](c1c(F)cc(c(F)c1)F)(=O)[O-]
+[N+](c1c(ccc(C(=O)C)c1)Br)([O-])=O
+[N+](c1c2c[nH]nc2ccc1)([O-])=O
+[N+](c1cc(Cl)c2c(c(O)c(C#N)cn2)c1)([O-])=O
+[N+](c1cc(cc(Br)c1)O)([O-])=O
+[N+](c1ccc2c(CCN(CC2)C)c1)([O-])=O
+[N+](c1ccc2c(c1)CCNCC2)([O-])=O
+[N+](c1cccc2cc[nH]c12)([O-])=O
+[N-]=[N+]=NC(C)Cc1cc2CCN(C(=O)C)c2c(C#N)c1
+[N-]=[N+]=NC(CO)c1ccc(nc1)OC
+[N-]=[N+]=NC1C(C(Cl)=O)CCC(C)C1
+[N-]=[N+]=NC1CCC(C(OC)C1)C(OC)=O
+[N-]=[N+]=NCC1CCC(C(OC)=O)C1
+[N-]=[N+]=NCCCCO
+[N-]=[N+]=NCc1ccc(C)nc1
+[N-]=[N+]=NCc1cncc(Cl)c1COC2OCCCC2
+[N-]=[N+]=Nc1c(C)ccc(C(=O)O)c1
+[N-]=[N+]=Nc1c(cc(C(=O)OCC)c(c1C)F)F
+[N-]=[N+]=Nc1c(cc(C(NCC)=O)cc1)O
+[N-]=[N+]=Nc1c(cncc1C=O)F
+[N-]=[N+]=Nc1cc(c(C)cc1)C(=O)c2ccc(cc2Cl)Nc3c(cc(cc3)F)F
+[N-]=[N+]=[N-]
+[O-][N+](=O)C([N+]([O-])=O)(C)CO
+[O-][N+](=O)[N+]([O-])=O
+[O-][N+](=O)c1c(F)cc(F)c([N+]([O-])=O)c1
+[O-][N+](=O)c1c(c(c(cc1NC(=O)C)C)[N+](=O)[O-])C
+[O-][N+](=O)c1c(cccc1)F
+[O-][N+](=O)c1cc(c(cc1)Oc2c3cc(c(OC)cc3ncc2)OC)F
+[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1)C(=O)Cl
+[O-][N+](=O)c1cc2CC(=O)c3cc(ccc3Sc2cc1)C(C)C(=O)N
+[O-][N+](=O)c1ccccc1Cl
+[O-][N+](c1c(c(Cl)c(Cl)c(c1[N+]([O-])=O)Cl)Cl)=O
+[O-][N+](c1cc(C(=O)Cl)cc(C(=O)OC)c1)=O
+[O-][N+](c1cc(F)c(cc1)F)=O
+[O-][N+](c1cc([N+]([O-])=O)c(CC)cc1)=O
+[O-][N+](c1cc([N+]([O-])=O)c(cc1)Cl)=O
+[O-][N+](c1cc2C=Cc3ccc(cc3Sc2cc1)C#N)=O
+[O-][O+]=O
+[O-][n+]1nc(nc2c1cc3CCCc3c2)Cl
+[S-2]
+[n+]1(N)cc(ccc1N)C(=O)OC
+[n+]1([O-])ccc(cc1C)[N+](=O)[O-]
+[n+]1([O-])cccc(F)c1C
+[n+]1([O-])ccnc(C(=O)OC)c1C
+[n+]1(cc(NC)c(cc1Br)[N+](=O)[O-])[O-]
+[n+]1(ccc(c2ccccc12)[N+]([O-])=O)[O-]
+[nH]1c(c(C#N)c2ccccc12)C(OC)=O
+[nH]1c(c(c(n1)N)C)C
+[nH]1c(ccc1C)C(=O)OCC
+[nH]1c(nc2c1C(NC(=O)N2C)=O)Br
+[nH]1c(nc2c1cccc2)CCl
+[nH]1c2c(F)cccc2c3C(CCCc13)=O
+[nH]1c2c(S)ncnc2nc1
+[nH]1c2c(cc1)c(ccn2)O
+[nH]1c2c(cccc2)nc1-c3nonc3N
+[nH]1c2c(nc1)c(Br)ncn2
+[nH]1c2cc(OC)c(cc2nc1)OC
+[nH]1c2nc(nc(Cl)c2cc1)Cl
+[nH]1c2ncc(cc2c(C(c3c(c(NC(OC)=O)ccc3F)F)O)c1)Br
+[nH]1c2nccc(Br)c2cc1
+[nH]1c2nccc(Cl)c2cc1
+[nH]1c2nccc([N+]([O-])=O)c2cc1
+[nH]1cc(C#N)c2ccc(C)cc12
+[nH]1cc(C(=O)OC)c2cc(Br)c(Cl)cc12
+[nH]1cc(C(=O)OC)c2ccc(OC)cc12
+[nH]1cc(C)c2c1ccc(O)c2
+[nH]1cc(Cl)c2c1ncnc2Cl
+[nH]1cc(I)c2c1ncnc2Cl
+[nH]1cc(c2c1ncnc2Cl)C
+[nH]1ccc2cc(cnc12)-c3cnccc3
+[nH]1ccc2cccnc12
+[nH]1ccnn1
+[nH]1cnc2C(N=C(N(CCCCC)c12)NN)=O
+[nH]1cnc2c1c(ncn2)Cl
+[nH]1cnc2nccc(Cl)c12
+[nH]1nc(C(=O)O)c([N+](=O)[O-])c1
+[nH]1nc(C)c(Br)c1
+[nH]1nc(c([N+](=O)[O-])c1)C(=O)N
+[nH]1nc(cc1)C
+[nH]1nc(cc1)[N+](=O)[O-]
+[nH]1nc2c(c1F)cc(cc2)Br
+[nH]1nc2c(cc(C(=O)O)cn2)c1
+c-12c(C(c3c-1cc(cc3)F)=O)cccc2
+c1(-c2[nH]ccn2)cccc(F)n1
+c1(-c2cc(F)ccc2)cc(F)c(c(Br)c1)C
+c1(-c2ccc([N+]([O-])=O)c(N)n2)occn1
+c1(-c2cccc(C)n2)cccc(C)n1
+c1(-c2cccc(c2)C)nc3cccc(c3o1)C(OC)=O
+c1(-c2ccccc2OC)nc3c(c(O)n1)ccc(C)c3
+c1(-c2ccccc2OC)nc3c(c(O)n1)cccc3
+c1(-c2cn(Cc3ccccc3Cl)cn2)nccc(C#N)c1
+c1(-c2cnccc2)ncc(c(Cl)n1)C(=O)OCC
+c1(-c2nc(O)c3CSCc3n2)ccc(s1)Cl
+c1(-c2oc(nc2C(=O)O)C)cc(C)ccc1
+c1(Br)c(C#N)c(F)ccc1
+c1(Br)c(C(=O)O)cc(C)s1
+c1(Br)c(C)c(C(OCC)=O)no1
+c1(Br)c(CBr)cccc1
+c1(Br)c(c(N)ccc1)C#N
+c1(Br)cc(F)c(cc1F)N
+c1(Br)cc(c(Br)cc1OC)OC
+c1(Br)cc(cc(Br)c1)O
+c1(Br)cc(cc(Br)c1N)[N+](=O)[O-]
+c1(Br)cc(cc(Br)c1O)C#N
+c1(Br)cc2C(N(C(=O)N(c2cc1)CC)CC)=O
+c1(Br)cccc(Cl)c1C(Cl)=O
+c1(Br)cccc(OC)c1C(=O)O
+c1(Br)cccc(c1C)C(=O)O
+c1(Br)ccccc1F
+c1(Br)cnc(Br)s1
+c1(Br)n(ccn1)CC
+c1(C#N)c(nc2c(c1Cl)cccc2)Cl
+c1(C(=O)C)cc(Br)cs1
+c1(C(=O)O)[nH]cnc1
+c1(C(=O)O)c(C)cc(cc1Cl)Br
+c1(C(=O)O)c(I)cccc1C
+c1(C(=O)O)c(c(ccc1F)[N+]([O-])=O)F
+c1(C(=O)O)cc(Br)cs1
+c1(C(=O)O)cc(C)cc(O)c1C
+c1(C(=O)O)cc(C)cnc1
+c1(C(=O)O)cc(OC(COC)C)cc(c1)O
+c1(C(=O)O)cc([N+]([O-])=O)c(c(Cl)c1)F
+c1(C(=O)O)cc(c2sccc2c1)O
+c1(C(=O)O)cc(cc(N)c1)O
+c1(C(=O)O)cc(nc(Cl)c1)N
+c1(C(=O)O)cc2nccc(Cl)c2s1
+c1(C(=O)O)cnc(c(Cl)c1)Cl
+c1(C(=O)O)cncc(-c2sc(N)nc2)c1
+c1(C(=O)O)cncc(N)c1
+c1(C(=O)O)nc(C)sc1-c2cc(C)ccc2
+c1(C(=O)OC)c(Cl)nc(C(OC)=O)cc1
+c1(C(=O)OC)c(N)c(nc(Br)c1)Br
+c1(C(=O)OC)c[nH]cc1-c2cc(ccc2)C#N
+c1(C(=O)OC)cc(Cl)c(NC(C)=O)cc1OC
+c1(C(=O)OC)cccc(c1OC)O
+c1(C(=O)OC)oc2c(cc(N)cc2)c1
+c1(C(=O)OCC)cccc(Br)n1
+c1(C(CBr)=O)c(sc2CN(C(=O)C)CCc12)C
+c1(C(Cl)=O)ccc(Cl)c([N+]([O-])=O)c1
+c1(C(OC)=O)ccccc1O
+c1(C(c2c(Cl)cccc2)=O)c(N)cccc1
+c1(C)[nH]c2c(cccc2)n1
+c1(C)[nH]cnc1
+c1(C)c(Br)cc(N)cc1
+c1(C)c(Br)cnc(Cl)c1
+c1(C)c(Br)cnc(N)c1
+c1(C)c(Br)cnc(c1)C(=O)OC
+c1(C)c(C#N)ncc(c1)[N+](=O)[O-]
+c1(C)c(C)c(O)cc2CCN(C=O)c12
+c1(C)c(CC(O)=O)c(nn1CC(=O)OCC)C
+c1(C)c(F)c(C(Cl)=O)c(F)cc1
+c1(C)c(F)ccc(OC)c1
+c1(C)c(F)ccc([N+]([O-])=O)c1
+c1(C)c(F)cnc(N)c1
+c1(C)c(F)ncc(C#N)c1
+c1(C)c(N)cc(Cl)c([N+]([O-])=O)c1
+c1(C)c(N)cc(c([N+]([O-])=O)c1)OC
+c1(C)c(N)ccnc1
+c1(C)c(N)cnc(OC)c1
+c1(C)c(OC)ncc(Br)c1
+c1(C)c(cc(C(Cl)=O)cc1)Br
+c1(C)c(cc(C(NC)=O)cc1)Br
+c1(C)c(cc(OC)cc1)Br
+c1(C)c(cc(cc1)C(=O)C)Br
+c1(C)c(cc(cc1)C(=O)OC)Br
+c1(C)c(cc(cc1)F)Br
+c1(C)c(ccc(c1)C(=O)C)O
+c1(C)c(cccc1)I
+c1(C)c(n[nH]c1)C(=O)OC
+c1(C)c(ncc(Br)c1)C(=O)OC
+c1(C)cc(Br)c(cc1OCC)C(=O)O
+c1(C)cc(Br)cnc1N
+c1(C)cc(Br)ncc1[N+](=O)[O-]
+c1(C)cc(C#N)ncc1[N+](=O)[O-]
+c1(C)cc(C(=O)O)ccc1F
+c1(C)cc(C(=O)O)cnc1N2CC(C)NCC2
+c1(C)cc(C(=O)O)sc1C=O
+c1(C)cc(C(Cl)=O)ccc1F
+c1(C)cc(Cl)nc(N)n1
+c1(C)cc(Cl)ncc1[N+](=O)[O-]
+c1(C)cc(N)ccc1F
+c1(C)cc(N)ncc1[N+](=O)[O-]
+c1(C)cc(cc(C)c1)CC(O)=O
+c1(C)cc(cc(C)c1)N
+c1(C)cc(cc(C)c1-c2cccc(c2C)C(OC)=O)OCC3COC(C)(C)O3
+c1(C)cc(cc(C)c1-n2cc(c(c2N)C#N)C)C
+c1(C)cc(cc(C)c1CC(=O)Cl)C
+c1(C)cc(cc(C)c1Cn2c(C(=O)OC)cc3ccc(C#N)cc23)C
+c1(C)cc(cc(C)c1N=C=S)C
+c1(C)cc(cc(C)c1NC(c2cc(nc3ccccc23)Cl)=O)C(OC)=O
+c1(C)cc(cc(C)c1O)Cl
+c1(C)cc(cc(C)c1Oc2cc(c(OCc3ccccc3)cc2)S(=O)(=O)O)[N+]([O-])=O
+c1(C)cc(cc(C)n1)O
+c1(C)cc(nc(Cl)n1)C(=O)OC
+c1(C)cc(nc(Cl)n1)Cl
+c1(C)cc2cccnc2[nH]1
+c1(C)ccc(Cl)c(O)c1F
+c1(C)ccc(nc1Cl)N
+c1(C)ccc2c(cccc2)c1CCl
+c1(C)cccc(C)c1CCl
+c1(C)cccc(C)c1CO
+c1(C)cccc(C)c1I
+c1(C)csc(C(=O)NN)c1Cl
+c1(C)nc(Cl)c(c(C)c1)C#N
+c1(C)nc(Cl)c(c(Cl)c1)[N+]([O-])=O
+c1(C)nc(Cl)cc(C(=O)O)c1
+c1(C)nc(cs1)C2C(C(OC)=O)CC(F)CC2
+c1(C)nc(nc(-c2cc(Cl)ncc2)c1)SC
+c1(C)nc2c(cc(cc2c(c1)O)F)OC
+c1(C)nccc(C)c1C(=O)O
+c1(C=C)c(NC(C(C)O)C(=O)O)ccc(C#N)c1Cl
+c1(C=C)c(n(C)nc1)-c2c(C)sc(c2)C(=O)OC
+c1(C=C)ccc(cc1[N+]([O-])=O)-c2ccc(cc2C)C(=O)OC
+c1(C=CC(=O)O)cc2OCC(Nc2nc1)=O
+c1(C=CC(=O)O)cc2c(NC(O2)=O)nc1
+c1(C=CC(=O)O)cccnc1
+c1(C=O)c2c(ccc1OC)cccc2
+c1(C=O)cc(C)c(cc1)O
+c1(C=O)cc(Cl)c(C)cc1
+c1(C=O)cc(Cl)c(F)cc1
+c1(C=O)cc(Cl)c(cc1)O
+c1(C=O)cc(c(F)cc1)OC
+c1(C=O)cc(c(cc1)O)OC
+c1(C=O)cc(c(cc1)O)OCC
+c1(C=O)cc(c(cc1)OCc2c(C)oc(C=CC(OCC)=O)n2)OC
+c1(C=O)cc(ccc1)Br
+c1(C=O)cc2c(oc(C)c2CC(OCC)=O)cc1
+c1(C=O)cc2oc(SC)nc2cc1
+c1(C=O)ccc(C)c(F)c1
+c1(C=O)ccc([N+]([O-])=O)c(F)c1
+c1(C=O)ccc(c(F)c1)C#N
+c1(C=O)ccc2c(cc[nH]2)c1
+c1(C=O)ccc2c(ccs2)c1
+c1(C=O)ccc2n[nH]cc2c1
+c1(C=O)ccc2occc2c1
+c1(C=O)cccc(C#N)c1
+c1(C=O)cccc(C(=O)O)c1
+c1(C=O)cccc(F)c1
+c1(C=O)cccc(OC)c1
+c1(C=O)cccc(OCC(OC)=O)c1
+c1(C=O)cccc(OCC)c1
+c1(C=O)cccc(OCCCCl)c1
+c1(C=O)cccc(OCCO)c1
+c1(C=O)cccc([N+]([O-])=O)c1
+c1(C=O)cccc(c1)C(=O)OC
+c1(C=O)cn[nH]c1
+c1(C=O)cnc2c(cc[nH]2)c1Cl
+c1(CBr)c(c(F)ccc1)CBr
+c1(CC#N)ccccc1Br
+c1(CC(=O)Cl)cccs1
+c1(CC(=O)O)c(cc(F)c(F)c1)OC
+c1(CC(=O)O)cncs1
+c1(CC(=O)OC)c2cccnc2[nH]c1C
+c1(CC(=O)OC)cccs1
+c1(CC(N)C)ccc(F)c(F)c1
+c1(CC)c(c(ncc1Br)N)Br
+c1(CC)cc(c(N)s1)C(=O)OC
+c1(CC)ncc(Br)[nH]1
+c1(CC2CCCN2)c(CCC(OCC)=O)oc3ccccc13
+c1(CCC)c(O)c(cc2c(NCC)cc(nc12)C(=O)O)C(=O)C
+c1(CCCCCl)n(CC)nc(C#N)c1
+c1(CCN)ncccc1
+c1(CCl)c(cccc1)OC
+c1(CCl)ncco1
+c1(CCl)occ(CO)n1
+c1(CN)[nH]ccn1
+c1(CN)c2cccnc2[nH]c1
+c1(CN)cccs1
+c1(CN)nnc(C)s1
+c1(CN)sc(C)nc1
+c1(CO)c(NC)nc(Cl)nc1
+c1(CO)cc(C)cs1
+c1(Cc2ccc(c(c2)OC)OC)nnc(C(C)N)c(n1)O
+c1(Cc2ccc(c(c2)OC)OC)nnc(C(N)CC)c(n1)O
+c1(Cc2nc3c([nH]2)c(nc(F)n3)N)cc4c(OCO4)cc1
+c1(Cl)c(Br)cc(C(=O)O)cn1
+c1(Cl)c(Br)cc(C(=O)OC)cn1
+c1(Cl)c(Br)cc(O)cn1
+c1(Cl)c(Br)cc(cn1)[N+](=O)[O-]
+c1(Cl)c(C(C)O)csc1
+c1(Cl)c(C)c(c(Cl)nn1)C
+c1(Cl)c(C=O)c2ccc(cc2cn1)Br
+c1(Cl)c(Cl)c2c(ccs2)cc1OC
+c1(Cl)c(Cl)ncc(C(=O)C)c1
+c1(Cl)c(Cl)ncc(C(Cl)=O)c1
+c1(Cl)c(F)cc(Br)cn1
+c1(Cl)c(NC(C)=O)c([N+]([O-])=O)cc(O)c1
+c1(Cl)c(O)cccn1
+c1(Cl)c(cc(Br)cn1)C(=O)OC
+c1(Cl)c(cc(cn1)[N+](=O)[O-])C(=O)OC
+c1(Cl)c(ccc(C(=O)C)c1)O
+c1(Cl)c(ccc(CCN)c1)O
+c1(Cl)c(ccc(N)c1)O
+c1(Cl)c(ccc(OC)c1)O
+c1(Cl)c(ccc([N+]([O-])=O)c1)O
+c1(Cl)c(ccc(c1)C(=O)C(O)=O)O
+c1(Cl)c(ccc(c1)C(=O)OC)O
+c1(Cl)c(ccc(c1)F)O
+c1(Cl)c(cccn1)C(=O)O
+c1(Cl)c(ncc(Br)n1)NN
+c1(Cl)c2CCCc2ncc1
+c1(Cl)c2c(cc(Cl)n1)ccnc2O
+c1(Cl)c2c(cc[nH]2)c(Br)cn1
+c1(Cl)c2cccn2ccn1
+c1(Cl)cc(Br)cnc1Cl
+c1(Cl)cc(C(=O)OC)c(OC)cc1O
+c1(Cl)cc(C2=NNC(CC2)=O)ccc1O
+c1(Cl)cc(Cl)c(cc1N)OC
+c1(Cl)cc(N)c(c(c1CC)Cl)O
+c1(Cl)cc([N+](=O)[O-])c(Br)nc1
+c1(Cl)cc([N+]([O-])=O)cnc1Cl
+c1(Cl)cc(c(F)nc1)[N+](=O)[O-]
+c1(Cl)cc(c(NC(OC)=O)cc1O)F
+c1(Cl)cc(cc(Cl)c1)B(O)O
+c1(Cl)cc(cc(Cl)c1)CC#N
+c1(Cl)cc(cc(Cl)c1)O
+c1(Cl)cc(cc(Cl)c1C(=O)Cl)C(NCCC)=O
+c1(Cl)cc(cc(Cl)c1C(=O)O)[N+](=O)[O-]
+c1(Cl)cc(cc(Cl)c1CC2CCN(C2=O)C3CCCCC3)O
+c1(Cl)cc(cc(Cl)c1I)[N+](=O)[O-]
+c1(Cl)cc(cc(Cl)c1O)N
+c1(Cl)cc(cc(Cl)c1O)OC(c2ccccc2)=O
+c1(Cl)cc(cc(Cl)c1Sc2cc(C(C)C)c(O)nn2)N
+c1(Cl)cc(nnc1Cl)Cl
+c1(Cl)ccc(OC)cc1NC(C)=O
+c1(Cl)cccc(Cl)c1-c2nc3c(s2)c(Br)ncc3
+c1(Cl)cccc(Cl)c1-n2c(CBr)c(cn2)C(C)C
+c1(Cl)cccc(Cl)c1CCO
+c1(Cl)cccc(Cl)c1COc2cccnc2[N+](=O)[O-]
+c1(Cl)cccc(Cl)c1N2C(c3cnc(SC)nc3C=C2)=O
+c1(Cl)cccc(Cl)c1O
+c1(Cl)cccc(Cl)c1S(=O)(=O)Cl
+c1(Cl)ccnc(Br)c1
+c1(Cl)ccnc(C(=O)O)c1
+c1(Cl)ccnc(C)c1
+c1(Cl)ccnc(CN)c1
+c1(Cl)cnc(Cl)cc1I
+c1(Cl)cnc(Cl)cn1
+c1(Cl)cnc2ccc(cc2n1)C(N(OC)C)=O
+c1(Cl)cncc(Cl)c1Cl
+c1(Cl)csc(Br)c1
+c1(Cl)n2nccc2nc(Cl)c1
+c1(Cl)nc(C)ns1
+c1(Cl)nc(Cl)ncc1I
+c1(Cl)nc(F)nc2nc[nH]c12
+c1(Cl)nc(nc(Cl)c1)-c2cccc(c2)OC
+c1(Cl)nc(nc(Cl)c1)CC
+c1(Cl)nc(nc(Cl)c1)OC
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+c1(c(ccc(F)c1I)C#N)Cl
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+c1(c(ccc(c1OC)O)Br)O
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+c1(c(cccc1)Cl)C(Cl)=O
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+c1(c(cccc1F)O)F
+c1(c(cccc1OC)C(=O)O)[N+]([O-])=O
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+c1(c2c(c(Br)ccc2)cc(Cl)n1)O
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+c1(c2c(ccn2C)cc(Br)c1Cl)F
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+c1(cc(C(=O)O)no1)-c2cccs2
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+c1(cc(N)c(cc1)N)C(=O)OC
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+c1(cc(S)ccc1)Br
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+c1(cc(c(cc1)OC)O)C=O
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+c1(cc(cc(N)c1)Cl)N
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+c1(cc(cc(n1)CC)N=C=O)C
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+c1(cc(ccc1Br)C(CCl)=O)F
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+c1(cc(ccc1O)OCCCC)CC=C
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+c1(cc(ncc1F)F)I
+c1(cc2C(CCOc2cc1O)C(=O)O)Cl
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+c1(cc2c(OCCO2)cn1)C=O
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+c1(ccc(OC)[n+](c1)N)CO
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+c1(ccc(OC)cc1OC)-c2cc(C(=O)OC)ccc2
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+c1(ccc(c(OC)c1F)F)C(=O)O
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+c1(ccc(nc1C(=O)OC)C)-n2nccc2
+c1(ccc2-c3c(cnc(NC(C)=O)c3)COc2c1F)O
+c1(ccc2c(CCC2)c1)CCO
+c1(ccc2c(NC(=O)C2C=O)c1)-c3cc(ccc3)OC
+c1(ccc2c(NC(=O)CS2)n1)C(=O)OC
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+c1(cccc(c1)CC)-c2c(Cl)cccc2Br
+c1(cccc(c1)CC2CNCCO2)Br
+c1(cccc(c1)O)Br
+c1(cccc(c1)OC)C(c2cccc(c2)OC)=O
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+c1(cccc2C(=O)COc12)OC
+c1(cccc2c1[nH]cc2C=O)C(=O)O
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+c1(cccc2ccccc12)O
+c1(ccccc1-c2nc(c(o2)C)CCl)F
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+c1(ccccc1CC)OC
+c1(ccccc1Cl)CCN
+c1(ccccc1Cl)NN
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+c1(ccccc1OC)NC=CC(=O)OCC
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+c1(cccnc1CCl)C(=O)OC
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+c1(cccs1)CC(CO)NC
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+c1(nc(Br)c(Br)[nH]1)Br
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+c1(nc(C)c(O)c(C)c1C)Br
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+c1(nc(CO)ccc1)N2CCCC2=O
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+c1(nc(O)c(C(=O)OCC)c(c1)O)C
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+c12c(nn[nH]1)cccc2
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+c12c3CCCCc3[nH]c1cc(cc2)Br
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+c12c3ccccc3c4ccccc4c1cc(OC)nc2
+c12c3ccn(c3ccc1c(Cl)nc(Cl)n2)C
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+c12cc(N)nc(Br)c1cccc2
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+c12cc([N+]([O-])=O)ccc1[nH]nc2C=O
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+c12cc(cc3c1c(ccc3)C(=O)OC2=O)[N+]([O-])=O
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+c12cc(ccc1OCO2)O
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+c12cc(ncc1c(Cl)ncc2)Cl
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+c12cc(oc1c(cnc2)C3=CCNCC3)C=O
+c12cc3OCc4cc(C(CBr)=O)ccc4-c3cc1CCCC2=O
+c12cc3oc(nc3cc1CCNCC2)CC
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+c12cc[nH]c1ccc(C#N)c2
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+c12cc[nH]c1ccc(c2)F
+c12cc[nH]c1ccc(c2)Nc3ncnc4cccc(F)c34
+c12ccc(C(=O)C)cc1C34CCCCC3C(C2)N(C)CC4
+c12ccc(C)nc1c(ccc2)O
+c12ccc(C)nc1nccc2O
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+c12ccc(CO)cc1[nH]c3c(ccc(Br)c23)C(=O)N
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+c12ccc(OC)cc1C(C(C2)C(OC)=O)=O
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+c12ccc([N+]([O-])=O)cc1n[nH]c2
+c12ccc(cc1n[nH]c2)O
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+c12ccc(nc1ccc([N+]([O-])=O)c2)C
+c12cccc([N+]([O-])=O)c1nc[nH]2
+c12cccc(c1cccc2[N+]([O-])=O)CC(O)=O
+c12ccccc1C(C(=O)N2)=O
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+c12ccccc1Oc3c(cccc3)C2(C)C(=O)O
+c12ccccc1c(C)cs2
+c12ccccc1c(CBr)ccc2
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+c12ccccc1cc(Br)cn2
+c12ccccc1cccc2C(Cl)=O
+c12ccccc1n3CCCc3c2C=O
+c12ccccc1sc(C(Cl)=O)c2Cl
+c12ccnc(O)c1cccc2
+c12ccncc1C(c3c(CC2)cccc3)N
+c12ccncc1cc(C(=O)O)[nH]2
+c12ccncc1ccc(C)c2
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+c12n(cnc1cc(c(Cl)c2)Cl)C3C(OC(=O)C)C(OC(=O)C)C(COC(=O)C)C3
+c12n[nH]c(Br)c1cccc2
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+c12nc(C)c(cc1CCCCC2)C(OCC)=O
+c12nc(C)n(c1cc(cc2[N+]([O-])=O)Br)C
+c12nc(SC)ncc1cc(Br)c(O)n2
+c12nc(nc(Cl)c1scc2)Cl
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+c12ncc(OC)cc1N(C(=O)C=C2)CC=C
+c12ncc(cc1N(C(=O)C=C2)CC=O)F
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+c12ncccc1[nH]cn2
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+c12ncnc(c1NC(=S)N2)N
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+c1[nH]c2c(cc(C#N)cc2)c1CCCCO
+c1[nH]c2c(cc(OC)cc2)c1CCN
+c1[nH]c2c(cccc2)c1C(=O)O
+c1[nH]c2ccccc2c1
+c1c(-c2c3c([nH]cc3)ccc2)c(ccc1)F
+c1c(-c2c[nH]cc2C(OCC)=O)c(ccc1)Cl
+c1c(-c2cc(C)ccc2)csc1
+c1c(-c2cc(cc(-c3cnco3)c2)[N+](=O)[O-])ocn1
+c1c(-c2cc3n(C(=O)C(CC(=O)OC)C(C)=N3)n2)cc4CCCCc4c1
+c1c(Br)c(Cl)ccc1
+c1c(Br)c(F)ccc1C#N
+c1c(Br)c(OC)ccc1
+c1c(Br)c(c(cc1)Br)C
+c1c(Br)c(c(cc1C(O)=O)Br)Oc2cc(C(C)C)c(cc2)O
+c1c(Br)c(c(cc1CC(O)C(OC)=O)Br)Oc2cc(c(OC)c(C(C)C)c2)N
+c1c(Br)c(c(cc1CC(OC)=O)Br)O
+c1c(Br)c(c(cc1F)Br)OC
+c1c(Br)c(c(cn1)Br)C
+c1c(Br)c(cc(Br)c1F)F
+c1c(Br)c(cc(C)c1F)C=O
+c1c(Br)c(cc(c1)O)O
+c1c(Br)c(ccc1)Oc2ccc(N)cn2
+c1c(Br)cc(C)cc1F
+c1c(Br)cc(cc1CCc2cc(C)cc(n2)-n3c(ccc3C)C)Br
+c1c(Br)cc(cc1OCC(C)C)Br
+c1c(Br)cc2CC(=O)NC(=O)c2c1
+c1c(Br)cc2CC(N(C)c2c1)C(OCC)=O
+c1c(Br)cc2CC(N(c2c1)C)=O
+c1c(Br)cc2CC([N+]([O-])=O)COc2c1
+c1c(Br)cc2CCC(=O)Cc2c1
+c1c(Br)cc2CCC(=O)NCc2c1
+c1c(Br)cc2CCC(c2c1)=O
+c1c(Br)cc2CNCCc2c1
+c1c(Br)cc2c(C(N(CC=C)CC2)=O)c1
+c1c(Br)cc2c(C(NC2)=O)c1
+c1c(Br)cc2c(c1)C(OC2)=O
+c1c(Br)ccc2cc(OC)ccc12
+c1c(Br)ccc2cc(ccc12)C(=O)O
+c1c(Br)ccc2cc(ccc12)O
+c1c(Br)ccc2ccc(O)cc12
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+c1c(cccc1CCC(=O)O)O
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+c1c(nc(cc1)C(=O)O)C
+c1c(nc(cc1)C(Cc2ccc(F)c(Br)c2)=O)C
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+c1c(oc2c1cc(C#N)cc2)CO
+c1c(sc(C(=O)OCC)c1C)NC(NCCCl)=O
+c1c-2c(ccc1)C(c3ccccc-23)COC(ON4C(CCC4=O)=O)=O
+c1c2-c3c(ccc(Cl)n3)OCn2c4ccccc14
+c1c2C(=O)CC(Sc2ccc1)C(O)=O
+c1c2C(=O)NC(=O)c2cc(F)c1F
+c1c2C(C3=C(Oc2ccc1Br)CCCC3)=O
+c1c2C(CCOc2c(F)cc1)N
+c1c2C(N(CC)c3ccccc3-n2cc1CO)=O
+c1c2C(Nc3cccnc3Nc2ccc1)=O
+c1c2C(c3ccccc3CCc2sc1)CC=C
+c1c2CC(=O)Nc2cc(F)c1F
+c1c2CCC(c2ccc1)N
+c1c2CNCCc2ccc1C(=O)OC
+c1c2CNCc2cs1
+c1c2CNCc2n[nH]1
+c1c2N(C(=O)N(C)c2ccc1N)C
+c1c2N(C(C(O)(c3cc4c(cc3O)OCO4)c2ccc1)=O)CC(=O)OCC
+c1c2NC(=O)Nc2c(cc1)OCC(CN)O
+c1c2NC(CCc2cc(N)c1)=O
+c1c2NC(CCc2cc([N+]([O-])=O)c1)=O
+c1c2NC(CCc2cc(c1)C(CCl)=O)=O
+c1c2NC(Cc2cc(c1)C(=O)OC)=O
+c1c2NC(Sc2cc(c1)O)=S
+c1c2OCOc2cc(N)c1
+c1c2[nH]nc(Cl)c2c([N+]([O-])=O)cc1
+c1c2[nH]nc(N)c2c(Br)cc1
+c1c2c(C(C(=O)N2)=Cc3c(c(C(=O)O)c(C)[nH]3)C)c(C)cc1
+c1c2c(C(CC2)=O)cc(Br)c1NC(C)=O
+c1c2c(C(NN2)=O)cc([N+]([O-])=O)c1
+c1c2c(CC(C(=O)OC)N)c[nH]c2ccc1
+c1c2c(CC(N)C)c[nH]c2ccc1
+c1c2c(CCBr)c[nH]c2ccc1
+c1c2c(CCCC(=O)O)c[nH]c2ccc1
+c1c2c(CCCN)c[nH]c2ccc1
+c1c2c(CCN)c[nH]c2ccc1
+c1c2c(Cl)c(C(=O)O)[nH]c2ccc1
+c1c2c(N(O)C(C(=O)N2)=O)cc(-n3ccnc3)c1
+c1c2c(NC(=O)CC2)ccc1
+c1c2c(NC(N2)=O)c(Cl)cc1
+c1c2c(OC(C)C(=O)N2)ccc1C=C[N+]([O-])=O
+c1c2c(OCCC(C(=O)OC)=C2)ccc1
+c1c2c([nH]cc2CC(C(OC)=O)(C)N)ccc1
+c1c2c([nH]cc2CC(CO)N)ccc1
+c1c2c([nH]cc2CC(O)=O)ccc1
+c1c2c([nH]cc2CCC(=O)O)ccc1
+c1c2c([nH]nc2ccc1)Sc3c(F)cccc3
+c1c2c(c(C(=O)O)n(CC(OC)=O)c2ccc1C)C
+c1c2c(c(C(=O)OC)nc1)COC2
+c1c2c(c(Cl)cc(Cl)n2)ccc1OC
+c1c2c(c(Cl)cc1)C(=O)C(=O)N2
+c1c2c(c(c(CC)s2)C(NC)=O)ccc1O
+c1c2c(c(ncc2)O)ccc1OC
+c1c2c(c3cc(Br)ccc3[nH]2)cc(Br)c1
+c1c2c(c[nH]c2ccc1)CC(C(O)=O)N
+c1c2c(c[nH]c2ccc1)CC(N)=O
+c1c2c(cc(Br)c1)C(C(CCCCCCCC)C2)=O
+c1c2c(cc(Br)c1)CC(N)C2
+c1c2c(cc(Br)cn2)cc(c1)C(=O)OC
+c1c2c(cc(C#N)c1)N(C(C)CO)c3c(cccc3)S2
+c1c2c(cc(C(=O)O)c1)CN(C)C(C(C)N2)=O
+c1c2c(cc(C(CC#N)=O)c1)OCO2
+c1c2c(cc(C)cc2O)ccc1
+c1c2c(cc(c1)C(=O)OC)n(cc2)CC
+c1c2c(cc(c1C(=O)O)C(=O)O)CCC2
+c1c2c(ccc1)-c3c(cccc3)C2(CCCCBr)C(=O)O
+c1c2c(ccc1)C(=O)N(C2=O)Cc3c(c(C)cc(c3)[N+]([O-])=O)Br
+c1c2c(ccc1)C(=O)N(C2=O)O
+c1c2c(ccc1)CC(CO2)CO
+c1c2c(ccc1)CC(O)C2C(OC)=O
+c1c2c(ccc1)CC2=O
+c1c2c(ccc1)N(C(C2(c3c(cc(Br)cc3)O)O)=O)CCCCC
+c1c2c(ccc1)N(C(N2)=O)CCCl
+c1c2c(ccc1)N=C(c3c(cccc3)S2)Cl
+c1c2c(ccc1)NCC2
+c1c2c(ccc1)NCCC2
+c1c2c(ccc1)NCCCC2
+c1c2c(ccc1)c(O)ccn2
+c1c2c(ccc1)cc(C=O)cc2
+c1c2c(ccc1)cc(cc2)CBr
+c1c2c(ccc1)cc(cc2)N
+c1c2c(ccc1)nc(-c3c(N)ncc(Br)c3)o2
+c1c2c(ccc1)nc(c(Cl)n2)Cl
+c1c2c(ccc1)scn2
+c1c2c(ccc1C)[nH]c3CCN(Cc23)CC=C
+c1c2c(ccc1C)ccnc2O
+c1c2c(ccc1F)cc(c(Cl)n2)C3NCCC3
+c1c2c(ccc1O)cc(nc2)C(=O)OC
+c1c2c(ccc1O)ncc(c2)Br
+c1c2c(ccc1OC)NC(=S)N2
+c1c2c(ccc1OC)cc(C=O)c(n2)-c3ccsc3
+c1c2c(ccc1OC)cc(cn2)C(=O)OCC
+c1c2c(ccc1OCCCCl)c(ncn2)Cl
+c1c2c(cccc2[N+]([O-])=O)cnc1
+c1c2c(ccn1)nc(c(Cl)n2)Cl
+c1c2c(ccnc2)c(O)nc1-c3cc(Cl)ncc3
+c1c2c(cnn1)cc(cc2)Br
+c1c2c(n(CC(OC)=O)cc2)ccc1O
+c1c2c(n[nH]c2CC(O)=O)ccc1
+c1c2c(nc(n1)Cl)cccc2
+c1c2c(ncnc2cnc1F)O
+c1c2c(oc1)ccnc2Oc3ccc(c(C)c3)Br
+c1c2c3C(CCCc3cc1)C(=O)N2
+c1c2c3ccc(N)c(c3ncc2oc1)C(=O)OC
+c1c2c[nH]nc2cc([N+]([O-])=O)c1Br
+c1c2c[nH]nc2ccc1O
+c1c2cc(C)c(c(O)c2ccc1OC)Br
+c1c2cc[nH]c2ccc1O
+c1c2ccc(C#N)cc2ccc1C(O)=O
+c1c2ccc(Cl)nc2ccc1O
+c1c2ccc(O)cc2ccc1
+c1c2ccc(O)nc2ccc1O
+c1c2ccc(O)nc2ccc1OC
+c1c2ccc(cc2ccc1)CC(N)C(=O)OC
+c1c2ccc(cc2nc(c1)O)Br
+c1c2ccc(nc2ccc1OC)C(=O)O
+c1c2ccc3cccc4ccc(cc1)c2c34
+c1c2ccccc2n(Cc3noc(-c4sc(Cl)cc4)c3)c1C(OC)=O
+c1c2ccccc2n[nH]1
+c1c2ccccc2oc1
+c1c2cccnc2ccc1O
+c1c2n(CC)cc(CC(OC)=O)c2c(cc1F)O
+c1c2n[nH]cc2c(cc1F)Br
+c1c2nc(nc(Cl)c2ccc1OC)Cl
+c1c2nc(oc2cc(c1)C(=O)OC)C
+c1c2nccc(Cl)c2ccc1
+c1c2nccc(N=C=S)c2ccc1
+c1c2nccc(c2ncc1OC)O
+c1c2ncnc(O)c2cc(OC)c1OC
+c1c2oc(nc2ccc1)N
+c1c[n+](c(cc1)Cl)[O-]
+c1c[n+](ccc1)N
+c1c[n+](ccc1-c2c(cc(cc2)Cl)OC)[O-]
+c1c[n+](ccc1-c2ccc(cc2)Cl)[O-]
+c1c[n+](ccc1OC)N
+c1c[n+](ccc1[N+]([O-])=O)[O-]
+c1c[nH]c2c(Br)cccc12
+c1c[nH]c2c(cccc12)C#N
+c1cc(-c2cc(Cl)c(c(c2)F)C#N)nn1CC(C)N
+c1cc(-c2nnn(C)n2)ncc1Br
+c1cc(-c2nnnn2C)ncc1Br
+c1cc(-n2cnc(c2)C=O)ncc1Br
+c1cc(Br)c(cc1F)C#N
+c1cc(Br)c(cc1F)CC(N)=O
+c1cc(Br)c(cc1F)O
+c1cc(Br)c(cc1I)C(=O)O
+c1cc(Br)cnc1I
+c1cc(Br)ncc1Br
+c1cc(Br)ncc1I
+c1cc(C#N)c(C(=O)OC)cc1F
+c1cc(C#N)c(Cl)cc1F
+c1cc(C#N)cc2OC(Nc12)=O
+c1cc(C(=N)N)cc2c1OCO2
+c1cc(C(=O)C)c(cc1F)O
+c1cc(C(=O)Cl)cc2ccccc12
+c1cc(C(=O)O)cc([N+]([O-])=O)c1OC
+c1cc(C(=O)O)n(C)c1
+c1cc(C(=O)OC)[nH]c1Br
+c1cc(C(=O)OC)c(Cl)cc1CBr
+c1cc(C(=O)OC)c(F)cc1I
+c1cc(C(=O)OC)c(cc1F)[N+]([O-])=O
+c1cc(C(=O)OC)cnc1C(OC)=O
+c1cc(C)c(NC(N)=S)cc1
+c1cc(C)c(cc1)CBr
+c1cc(C)c(cc1)N=C=S
+c1cc(C)cc(Br)c1OC
+c1cc(C)cc2CCCNc12
+c1cc(C)n(c1C)-c2cc(C)c(O)c(n2)C
+c1cc(C)n(c1C)-c2cc(C)cc(n2)C
+c1cc(C)n(c1C)-c2nc(Br)ccc2
+c1cc(C)n(c1C)-c2nn(cc2)-c3ccc(cc3)F
+c1cc(C=CC(=O)O)ncc1Br
+c1cc(C=O)cc(c1)C(CCCC)C
+c1cc(C=O)cc(c1OCc2cccc3ccccc23)OC
+c1cc(C=O)oc1Sc2[nH]c3c(cccc3)n2
+c1cc(CC#N)cc(Br)c1OC
+c1cc(CC#N)cc(c1OC)C(=O)O
+c1cc(CC(OCC)=O)c(F)cc1I
+c1cc(CC)cc(Br)c1OC
+c1cc(CC=C)c(CC)cc1
+c1cc(CCC(=O)O)cc(CCCCCC)c1OC
+c1cc(CCl)c(Cl)nc1Cl
+c1cc(CN)cc(Cl)c1OC
+c1cc(CN)cnc1
+c1cc(CN)no1
+c1cc(CN2C(C=3C(=C(N(CCCCCl)C(C=3O)=O)C(=O)OC)CC2)=O)cc(Cl)c1F
+c1cc(CNc2nc(SC)ncc2C(=O)O)cc(Cl)c1OC
+c1cc(CNc2nc(nc(c2C(=O)O)Cl)Cl)cc(Cl)c1OC
+c1cc(CO)cnc1
+c1cc(CO)ncc1Br
+c1cc(CO)ncc1F
+c1cc(Cl)c([N+]([O-])=O)cc1CO
+c1cc(Cl)c(cc1I)C(=O)O
+c1cc(Cl)c(cc1I)CNC(OC)=O
+c1cc(Cl)c2n(CCF)c3c(C(C(OCC)=O)CCC3)c2c1OC
+c1cc(Cl)cc(CBr)c1OCc2c(F)cc(Cl)cc2
+c1cc(Cl)nc2CC(Nc12)=O
+c1cc(F)c(F)cc1C(=O)OCC
+c1cc(F)c(cc1C(=O)OCC)OCC
+c1cc(F)c(nc1)[N+](=O)[O-]
+c1cc(F)cc(N2C(SCC(=O)OCC)=Nc3scc(c3C2=O)-c4ccccc4OC)c1
+c1cc(F)cc(c1OC)[Mg]Br
+c1cc(I)c(F)cc1I
+c1cc(N)c(Br)cc1
+c1cc(N)c(CN)cc1
+c1cc(N)c(I)cc1
+c1cc(N)c(NC)cc1
+c1cc(N)c(Nc2c(C)cc(F)cc2)cc1
+c1cc(N)c(c(c1OC)[N+]([O-])=O)C
+c1cc(N)c(cc1)F
+c1cc(N)c(cc1)[N+]([O-])=O
+c1cc(N)cc2c1ccc(O)c2
+c1cc(N2C(CCC2)c3nc(ccc3)OC)nc4c(cnn14)C(=O)OCC
+c1cc(N2CCCC2=O)cnc1Cl
+c1cc(NC(C)=O)cc(Br)c1OC
+c1cc(O)c(C(=O)O)nc1
+c1cc(O)c(F)nc1
+c1cc(O)c(nc1)[N+](=O)[O-]
+c1cc(O)cc(F)c1F
+c1cc(O)cnc1
+c1cc(O)ncc1Br
+c1cc(OC)c(F)cc1Br
+c1cc(OC)c(OC)cc1C=O
+c1cc(OC)c(cc1Br)C(=O)O
+c1cc(OC)c(cc1Br)O
+c1cc(OC)c(cc1C(C)=O)OC
+c1cc(OC)cc2C(CC(Nc12)=O)CC(OC)=O
+c1cc(OC)cc2CC(Nc12)=O
+c1cc(Oc2cccc(c2)CCl)ncc1Br
+c1cc(S)cc(C)c1OCC(OCC)=O
+c1cc([Mg]Br)c(OC)cc1OC
+c1cc([N+]([O-])=O)c(Cl)nc1Cl
+c1cc([N+]([O-])=O)c(N)nc1Cl
+c1cc([N+]([O-])=O)c(cc1F)Br
+c1cc([N+]([O-])=O)c(cc1F)C#N
+c1cc([N+]([O-])=O)c(cc1F)C(=O)O
+c1cc([N+]([O-])=O)cc(F)c1Oc2ncnc(N)c2
+c1cc([N+]([O-])=O)cc(c1)-c2cc3c(cc2)c(Br)c[nH]3
+c1cc([N+]([O-])=O)cc(c1)C=2C3=C(C(=O)N(CC=C)N=2)C(Nc4ccc(I)cc4F)=C(C(=O)N3C)Cl
+c1cc([N+]([O-])=O)cc2C(NC(Nc12)=O)=O
+c1cc([N+]([O-])=O)cc2CCNc12
+c1cc([N+]([O-])=O)cc2OCC(Nc12)=O
+c1cc([N+]([O-])=O)cc2c1CCN2
+c1cc([N+]([O-])=O)ncc1Br
+c1cc([n+](cc1Br)[O-])C(=O)OC
+c1cc(c(-c2sc(C(OC)=O)cc2)cc1)N
+c1cc(c(-c2sc(CC(OC)=O)cc2)cc1)N
+c1cc(c(C(=O)C)cc1CCl)O
+c1cc(c(C(=O)OC)cc1Br)OCc2cccs2
+c1cc(c(C(=O)OC)cc1CC2C(=O)NC(=O)S2)O
+c1cc(c(C(=O)OC)cc1I)OC(C#C)C
+c1cc(c(C(CBr)=O)cc1)C
+c1cc(c(C)cc1F)Br
+c1cc(c(C)cc1F)[N+]([O-])=O
+c1cc(c(CC(O)=O)cc1)C
+c1cc(c(CC)cc1I)Br
+c1cc(c(Cl)cc1CCl)Cl
+c1cc(c(Cl)cc1F)C(=O)O
+c1cc(c(Cl)cc1F)CC(=O)O
+c1cc(c(Cl)cc1F)CN
+c1cc(c(Cl)nc1Cl)C(=O)O
+c1cc(c(N)cc1Br)OC
+c1cc(c(N)cc1C(=N)N)N
+c1cc(c(O)cc1I)C(=O)O
+c1cc(c(S)cc1F)C(=O)O
+c1cc(c(c(O)c1OC)Cl)C=O
+c1cc(c(cc1)CCO)N
+c1cc(c(cc1)CCl)N
+c1cc(c(cc1)N2C(=O)C(C=O)=C(C=C2)Cl)C
+c1cc(c(cc1Br)C=O)OC
+c1cc(c(cc1Br)[N+]([O-])=O)OC
+c1cc(c(cc1C(=NOC)CCC(=O)O)Cl)Cl
+c1cc(c(cc1F)Br)C(=O)O
+c1cc(c(cc1F)[N+]([O-])=O)Br
+c1cc(c(cc1F)[N+]([O-])=O)CC(=O)O
+c1cc(c(cc1I)OC)Br
+c1cc(c2c(c3ccccc3s2)c1)O
+c1cc(c2cccc(N)c2c1)O
+c1cc(cc(Br)c1OC)C#N
+c1cc(cc(Br)c1OC)C(CBr)=O
+c1cc(cc(Br)c1OC)F
+c1cc(cc(C(=O)OC)c1OCC#C)C(=O)C
+c1cc(cc(CCN)c1OC)F
+c1cc(cc(F)c1F)C2CCC3N2C(=O)C(I)CC3
+c1cc(cc(N)c1)Oc2ccnc(c2)C(=O)O
+c1cc(cc(N)c1N)C
+c1cc(cc(NC(c2c(ncnc2Cl)N)=O)c1OC)C(=O)N
+c1cc(cc(O)c1C(=O)O)O
+c1cc(cc([N+]([O-])=O)c1OC)CC(OC)=O
+c1cc(cc(c1)F)-n2c(cc3ccccc23)C(C)N=[N+]=[N-]
+c1cc(cc(c1Br)O)C(=O)OC
+c1cc(cc(c1C#N)O)C(=O)OC
+c1cc(cc(c1Cl)Cl)N=C(N)Nc2nc(cc(n2)C)O
+c1cc(cc(c1OC)C#N)F
+c1cc(cc(c1OC)C=O)F
+c1cc(cc(c1OC)F)C2C(F)CNCC2
+c1cc(cc(c1OC)F)CBr
+c1cc(cc(c1OC)F)CC=C
+c1cc(cc(c1OC)O)Cc2c(nc(N)nc2)N
+c1cc(cc(c1OC)OCC)C(=O)O
+c1cc(cc(c1Oc2ccc(c(C)c2)[N+]([O-])=O)C#N)F
+c1cc(cc2OCCCc12)O
+c1cc(cc2OCCc12)O
+c1cc(cc2c1NCCS2)[N+]([O-])=O
+c1cc(cc2ccc(cc12)OC)C(=O)O
+c1cc(ccc1)-c2[nH]c(C(C)NC(=O)OCc3ccccc3)nc2
+c1cc(ccc1)-c2[nH]c(nc2)C3CCC(CC3)C(OC)=O
+c1cc(ccc1)-c2[nH]c(nc2)C3CNCCO3
+c1cc(ccc1)-c2[nH]c3c(c2C)cc(Br)cc3
+c1cc(ccc1)-c2[nH]c3c(cc(Cl)cc3c2)[N+]([O-])=O
+c1cc(ccc1)-c2[nH]c3c(cccc3)c2CCN
+c1cc(ccc1)-c2[nH]ccc2C(OCC)=O
+c1cc(ccc1)-c2c(-c3ccc(cc3)F)c[nH]c2C(=O)OCC
+c1cc(ccc1)-c2c(-c3ccccc3)nc(o2)C4=CCCCC4Cc5cccc(C(O)=O)c5
+c1cc(ccc1)-c2c(C(=O)OC)c(nc3ccc(cc23)Br)CC(C)C
+c1cc(ccc1)-c2c(C)c(C(O)=O)c3cc(F)ccc3n2
+c1cc(ccc1)-c2c(C)c(c3ccccc3n2)C(O)=O
+c1cc(ccc1)-c2c(C)nn(c2C)-c3ccc(cc3)CCO
+c1cc(ccc1)-c2c(C=3C=CC(=O)N(N=3)C(C)C)cc(C(=O)N)cn2
+c1cc(ccc1)-c2c(CCO)c3ccccc3[nH]2
+c1cc(ccc1)-c2c(CN=[N+]=[N-])c(c3c(cccc3)n2)C(OC)=O
+c1cc(ccc1)-c2c(Cc3nc(ccc3)C(O)=O)c4ccc(cc4[nH]2)OC
+c1cc(ccc1)-c2c(Cn3c4c(cc3CC)c(nc(SC)n4)Cl)cccc2
+c1cc(ccc1)-c2c(N)nc3ccc(C(=O)OC)cn23
+c1cc(ccc1)-c2c(O)cccc2
+c1cc(ccc1)-c2c(c(Cl)ccc2)CCCC(=O)O
+c1cc(ccc1)-c2c(c3CNCCn3c2Cl)C#N
+c1cc(ccc1)-c2c(cc(cc2NCc3ccccc3)C(=O)O)S(=O)(=O)Cl
+c1cc(ccc1)-c2c(cc(nn2)O)N3CCNCC3
+c1cc(ccc1)-c2c(nc(c(c2)C#N)O)C(C)C
+c1cc(ccc1)-c2c(ncn2C3CCCCC3O)C(OCC)=O
+c1cc(ccc1)-c2c3c(cc(N)c2)n(Cc4ccccc4)cn3
+c1cc(ccc1)-c2cc(C(O)=O)sc2C
+c1cc(ccc1)-c2cc(Cl)c(cc2)CBr
+c1cc(ccc1)-c2cc(N)c(C(OC)=O)s2
+c1cc(ccc1)-c2cc(N)c(cc2)C
+c1cc(ccc1)-c2cc(c(C(OC)=O)cc2)[N+](=O)[O-]
+c1cc(ccc1)-c2cc(cc3cc(O)ccc23)C(OC)=O
+c1cc(ccc1)-c2cc(ccc2Br)OC
+c1cc(ccc1)-c2cc3CCC(Cc3cc2)C=O
+c1cc(ccc1)-c2cc3c(cc2)c(O)ccn3
+c1cc(ccc1)-c2cc3ccccc3o2
+c1cc(ccc1)-c2ccc(-c3c4nc(C5CCC(CC5)CC(NN)=O)cc(N)n4nc3)cn2
+c1cc(ccc1)-c2ccc(NN)nn2
+c1cc(ccc1)-c2ccc(c(F)c2)OC
+c1cc(ccc1)-c2ccc(cc2)SC(F)F
+c1cc(ccc1)-c2cccc(C(C(=O)O)CC(C)C)c2
+c1cc(ccc1)-c2cccc3nc(nc(Cl)c23)Cl
+c1cc(ccc1)-c2ccnc(c2)Cl
+c1cc(ccc1)-c2cnnc(N)n2
+c1cc(ccc1)-c2nc(-c3c(C)nc4ccc(cn34)Br)sc2C(=O)OCC
+c1cc(ccc1)-c2nc(COc3cc(CCl)ccc3)c(o2)C
+c1cc(ccc1)-c2nc(c(c(n2)C)C(C(=O)O)CCC)O
+c1cc(ccc1)-c2nc(c(cn2)C=O)C
+c1cc(ccc1)-c2nc(cc(Cl)c2)C(O)=O
+c1cc(ccc1)-c2nc3cc(ccc3c(Cl)c2)OC
+c1cc(ccc1)-c2nc3ccccc3c(C(O)=O)c2O
+c1cc(ccc1)-c2ncc(C(=O)OCC)cc2
+c1cc(ccc1)-c2nnc(nc2)S(=O)C
+c1cc(ccc1)-c2nnc3[nH]ncc3c2Cl
+c1cc(ccc1)-c2noc(c2CO)C
+c1cc(ccc1)-c2oc(C(=O)OCC)nn2
+c1cc(ccc1)-c2oc(C)c(n2)CCN
+c1cc(ccc1)-c2oc(C)c(n2)CCOS(=O)(=O)c3ccc(cc3)C
+c1cc(ccc1)-c2oc(c(n2)C(=O)O)C
+c1cc(ccc1)-c2oc3c(c2-c4ccc(cc4)OC)c(O)ncn3
+c1cc(ccc1)-c2scc(-c3ncccc3C(O)=O)n2
+c1cc(ccc1)-n2c(N)c(c(C(=O)OCC)n2)C
+c1cc(ccc1)-n2c3c(c(C#N)c2-c4ccc(cc4)F)c(O)c(C(OCC)=O)nc3
+c1cc(ccc1)-n2c3ncnc(c3cn2)NN
+c1cc(ccc1)-n2ccc(N)n2
+c1cc(ccc1)-n2ccnc2
+c1cc(ccc1)-n2cnc3cc(cc(c23)N)C#N
+c1cc(ccc1)-n2cnc3ccc(C(=O)OC)cc23
+c1cc(ccc1)-n2nc(N)cc2-c3cccc(CCC)c3
+c1cc(ccc1)B(O)O
+c1cc(ccc1)Br
+c1cc(ccc1)C
+c1cc(ccc1)C#CC(=O)C
+c1cc(ccc1)C#CCBr
+c1cc(ccc1)C(=O)C
+c1cc(ccc1)C(=O)CC2C(C(CN(Cc3ccccc3)C2)C)=O
+c1cc(ccc1)C(=O)CCCl
+c1cc(ccc1)C(=O)CN
+c1cc(ccc1)C(=O)Cc2ccc(cc2)OC
+c1cc(ccc1)C(=O)N(C)OC
+c1cc(ccc1)C(=O)N=C=O
+c1cc(ccc1)C(=O)N=C=S
+c1cc(ccc1)C(=O)OC(=O)c2ccccc2
+c1cc(ccc1)C(=O)Oc2ccc(cc2)O
+c1cc(ccc1)C(=O)c2c(O)ccc(Br)c2
+c1cc(ccc1)C(=O)c2cc(ccc2N)C
+c1cc(ccc1)C(=O)c2cccc(C(=O)O)c2
+c1cc(ccc1)C(=S)N
+c1cc(ccc1)C(C(=O)c2ccccc2)O
+c1cc(ccc1)C(C(C)O)N
+c1cc(ccc1)C(C(O)=O)C2CCCCC2
+c1cc(ccc1)C(C(OCC)=O)O
+c1cc(ccc1)C(C)(CCCCCBr)CO
+c1cc(ccc1)C(C)CO
+c1cc(ccc1)C(C)NC(=O)N
+c1cc(ccc1)C(C2COCCN2)O
+c1cc(ccc1)C(CBr)=O
+c1cc(ccc1)C(CC#N)=O
+c1cc(ccc1)C(CC(=O)Cl)C
+c1cc(ccc1)C(CC(OC)=O)c2cc(ccc2)OC
+c1cc(ccc1)C(CC)C(O)=O
+c1cc(ccc1)C(CCN)O
+c1cc(ccc1)C(CCc2c(C(OC)=O)cc3nc(C)n(c3c2O)CCOC)=O
+c1cc(ccc1)C(CO)CO
+c1cc(ccc1)C(CO)N
+c1cc(ccc1)C(N(C)Cc2cc(ccc2)Br)=O
+c1cc(ccc1)C(N)C
+c1cc(ccc1)C(N2c3c(cccc3)-c4[nH]c(C)nc4CC2)=O
+c1cc(ccc1)C(NC(=S)Nc2cccc(C)n2)=O
+c1cc(ccc1)C(NC(Nc2c(cnc(c2)N3CCOCC3)OC)=S)=O
+c1cc(ccc1)C(NC(c2c(C)c(nc3c2cccc3)-c4ccccc4)=O)CC
+c1cc(ccc1)C(O)=O
+c1cc(ccc1)C(O)C
+c1cc(ccc1)C(OCCn2c3c(ncnc3cc2)Cl)=O
+c1cc(ccc1)C(Oc2cc(CC)c(c(c2)CC)O)=O
+c1cc(ccc1)C(Oc2cc(c(c(I)c2)O)Cl)=O
+c1cc(ccc1)C(Oc2ccc(cc2)CO)=O
+c1cc(ccc1)C(c2c(N)c(ccc2)C)=O
+c1cc(ccc1)C(c2c(N)c[nH]c2C)=O
+c1cc(ccc1)C(c2c(cc(cc2)C)C)N
+c1cc(ccc1)C(c2cc(OCc3ccccc3)ccc2)(O)C(OCC)=O
+c1cc(ccc1)C(c2ccc(N)cc2Cl)=O
+c1cc(ccc1)C(c2ccc(OCC=C)cc2O)=O
+c1cc(ccc1)C(c2ccc(cc2)[N+](=O)[O-])=CC(=O)OCC
+c1cc(ccc1)C(c2ccccc2)(C)CN
+c1cc(ccc1)C(c2ccccc2)(C3CCN(S(=O)(=O)c4ccc(cc4)C)C3)C#N
+c1cc(ccc1)C(c2ccccc2)(CCC#N)C(OCC)=O
+c1cc(ccc1)C(c2ccccc2)(CCC(C)(C)N(C)Cc3ccccc3)C#N
+c1cc(ccc1)C(c2ccccc2)(O[SiH2]C(C)(C)C)C(CCI)NC(OC(C)(C)C)=O
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)Cl
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)N
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(NN)=O
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)SCCN
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cnc(C(OC)=O)c4
+c1cc(ccc1)C(c2ccccc2)=N
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C45C(COCC(N4)=O)C5)c(F)cc3
+c1cc(ccc1)C(c2ccccc2)=Nc3cc4c(cc(C(OCC)=O)cn4)cc3
+c1cc(ccc1)C(c2ccccc2)=Nc3ccc4C(=O)C(c5ccc(cc5)Cl)=C(Oc4c3)C(C)C
+c1cc(ccc1)C(c2ccccc2)=Nc3cnc(C)c(NS(=O)(=O)C)c3
+c1cc(ccc1)C(c2ccccc2)=Nc3cnc(c(NC(OC(C)(C)C)=O)c3)Cl
+c1cc(ccc1)C(c2ccccc2)=O
+c1cc(ccc1)C(c2ccccc2)Br
+c1cc(ccc1)C(c2ccccc2)C3CNCCC3=O
+c1cc(ccc1)C(c2ccccc2)CC(=O)O
+c1cc(ccc1)C(c2ccccc2)N3C(C(=O)c4ccccc34)=O
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)C(c4cc(Br)cc(F)c4)C(C)(C)F
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)OS(=O)(=O)C
+c1cc(ccc1)C(c2ccccc2)N3c4ccccc4C(O)(C3=O)c5cc(OC)ncc5OCOC
+c1cc(ccc1)C(c2ccccc2)O
+c1cc(ccc1)C(c2ccccc2)OC(=O)C(Oc3ccccc3COc4cc5c(oc(c5)-c6scc(n6)C(C)(C)C)cc4)CCC
+c1cc(ccc1)C(c2ccccc2)c3cnc(O)cc3
+c1cc(ccc1)C2(CC(C2)C)c3c(ccc(OCc4ccc5cc(ccc5n4)F)c3)C=O
+c1cc(ccc1)C2(CC2COCc3ccccc3)C#N
+c1cc(ccc1)C2(CCN(CC2)Cc3ccccc3)C#N
+c1cc(ccc1)C2(CCOCC2)C(=O)O
+c1cc(ccc1)C2(CNS(=O)(=O)c3ccccc3)C(COCc4ccccc4)C2
+c1cc(ccc1)C2(NC(NC2=O)=O)CCC
+c1cc(ccc1)C2(c3ccccc3)C(NCC2)=O
+c1cc(ccc1)C23c4c(c(Br)nn4C)CCC2C(C(=O)CC3)C
+c1cc(ccc1)C2=C(C=CCO)N(C(=O)c3c2cccc3)C
+c1cc(ccc1)C2=C(CO)CNCC2
+c1cc(ccc1)C2=CCc3c(cc(Br)cc3)O2
+c1cc(ccc1)C2=NCCCc3ccccc23
+c1cc(ccc1)C2C(C(OCC)=O)N(C(=O)C2)C
+c1cc(ccc1)C2C(N)CCC2
+c1cc(ccc1)C2C(NC3=NC(CS3)=O)C2
+c1cc(ccc1)C2CC2(C(OC)=O)N
+c1cc(ccc1)C2CC2N
+c1cc(ccc1)C2CCc3cccc4NC(=O)N2c34
+c1cc(ccc1)C2CNCCc3c(c(ccc23)OC)[N+]([O-])=O
+c1cc(ccc1)C2Sc3ccccc3NC(=O)C2N
+c1cc(ccc1)C2c3c(c(Cl)c(c(OC)c3)Cl)C(C2CC)=O
+c1cc(ccc1)C=2C=CC(=O)N(N=2)CCO
+c1cc(ccc1)C=2c3cc(Cl)ccc3NC(=O)CN=2
+c1cc(ccc1)C=C
+c1cc(ccc1)C=CC(Cl)=O
+c1cc(ccc1)C=Cc2onc(-c3ccc(cc3)F)c2C(O)=O
+c1cc(ccc1)CC
+c1cc(ccc1)CC#C
+c1cc(ccc1)CC(=O)Cl
+c1cc(ccc1)CC(=O)c2c(C(O)=O)cc(OC)cc2OC
+c1cc(ccc1)CC(C(=O)C)C(OCC)=O
+c1cc(ccc1)CC(C(=O)OC)N
+c1cc(ccc1)CC(C(N)C)=O
+c1cc(ccc1)CC(C(OCc2ccccc2)=O)CS(=O)(=O)C(C)(C)C(O)=O
+c1cc(ccc1)CC(C)N
+c1cc(ccc1)CC(N)C(O)=O
+c1cc(ccc1)CC(N)CN=[N+]=[N-]
+c1cc(ccc1)CC(N)CO
+c1cc(ccc1)CC(N=C=S)=O
+c1cc(ccc1)CC(c2ccc(c(c2)C)O)=O
+c1cc(ccc1)CC2C(CN(C2)Cc3ccccc3)(C(OCC)=O)F
+c1cc(ccc1)CC2C(OCC2)=O
+c1cc(ccc1)CC2COC(=O)N2C(CP(OCC)(OCC)=O)=O
+c1cc(ccc1)CC2N(C(COCC)=O)C(=O)OC2
+c1cc(ccc1)CC2N(C(OC2)=O)C(CC(c3ccc(cc3)OCc4ccccc4)c5nocc5)=O
+c1cc(ccc1)CC=O
+c1cc(ccc1)CCC
+c1cc(ccc1)CCC(=O)C
+c1cc(ccc1)CCC(=O)O
+c1cc(ccc1)CCC(C(OCC)=O)Br
+c1cc(ccc1)CCC(NC(CC(OC)=O)C(O)=O)=O
+c1cc(ccc1)CCC=O
+c1cc(ccc1)CCCBr
+c1cc(ccc1)CCCC(=O)OC
+c1cc(ccc1)CCCNCc2cc(ccc2)-c3cnc(cc3)C#N
+c1cc(ccc1)CCC[Mg]Br
+c1cc(ccc1)CCN2C3C(CC2=O)c4c(c(OC)ccc4)CC3
+c1cc(ccc1)CCN2CCC(CC2)=O
+c1cc(ccc1)CCOC(=O)C
+c1cc(ccc1)CCS
+c1cc(ccc1)CCc2ccnc3c2cc(cc3)C4(OCCO4)c5ccc(cc5)Cl
+c1cc(ccc1)CCl
+c1cc(ccc1)CN(C(CO)Cc2ccc(cc2)N)CC(COc3ccccc3)O
+c1cc(ccc1)CN(CC(O)=O)C
+c1cc(ccc1)CN(CCO)CCC2OCCO2
+c1cc(ccc1)CN(Cc2ccccc2)C(=O)C3CCN(CC3)C(OC(C)(C)C)=O
+c1cc(ccc1)CN(Cc2ccccc2)C(CO)C
+c1cc(ccc1)CN(Cc2ccccc2)C3CCc4c(C3)cccc4NC(=O)C(C)(C)O
+c1cc(ccc1)CN(Cc2ccccc2)CC(O)CN3CCN(CC3)C(=O)OC(C)(C)C
+c1cc(ccc1)CN(Cc2ccccc2)CC(O)c3ccc(OCc4ccccc4)c(NC=O)c3
+c1cc(ccc1)CN(Cc2ccccc2)c3c(N)c(Nc4cccc(c4)NC(=O)OC(C)(C)C)ncn3
+c1cc(ccc1)CN(Cc2ccccc2)c3c(cc(cc3)F)F
+c1cc(ccc1)CN2C(=O)C(=Cc3c(O)c(C(=O)OC)ncc23)Br
+c1cc(ccc1)CN2C(=O)C(C)(C)OCC2C(O)=O
+c1cc(ccc1)CN2C(=O)CCC2C(=O)O
+c1cc(ccc1)CN2C(C(OC)=O)CC(C2)N=[N+]=[N-]
+c1cc(ccc1)CN2C(C3CC(C)CC3C2)CO
+c1cc(ccc1)CN2C(CC(C2)C(OC)=O)=O
+c1cc(ccc1)CN2C(CC(C2)COS(=O)(=O)c3ccc(cc3)C)C
+c1cc(ccc1)CN2C(CCC)=NC=3CCCC=3C2=O
+c1cc(ccc1)CN2C(CCC)=Nc3c(C2=O)cccn3
+c1cc(ccc1)CN2C3CC(NC(Nc4ccc(F)c(F)c4)=O)CCC3(c5ccc(c(c5)OC)OC)CC2
+c1cc(ccc1)CN2C3CC(OC(=O)C)CC2CC3(F)F
+c1cc(ccc1)CN2C3CCC2CC(C3)(c4ccccc4)C(=O)O
+c1cc(ccc1)CN2C3CCNCC2CCC3
+c1cc(ccc1)CN2CC(C)C(=O)CC2
+c1cc(ccc1)CN2CC(CC2)C(O)=O
+c1cc(ccc1)CN2CC(CC2)N
+c1cc(ccc1)CN2CC(CC2=O)C(=O)CC(=O)O
+c1cc(ccc1)CN2CC(CCO)NCC2
+c1cc(ccc1)CN2CC(NCC2)CCCO
+c1cc(ccc1)CN2CC(NCCC#N)CC2
+c1cc(ccc1)CN2CC(O)CC2
+c1cc(ccc1)CN2CC(c3ccc4c(c3)cc(C(O)=O)[nH]4)CC2
+c1cc(ccc1)CN2CC(c3sccc3)C(C(=O)Cl)CC2
+c1cc(ccc1)CN2CC3CN(CC(C2)C3)Cc4ccccc4
+c1cc(ccc1)CN2CC3OCc4c(ccc(c4)OCc5ccccc5)C3C2=O
+c1cc(ccc1)CN2CCC(=O)C(C(=O)OC)C2
+c1cc(ccc1)CN2CCC(=O)C(CC2)C(=O)OCC
+c1cc(ccc1)CN2CCC(CC2)=O
+c1cc(ccc1)CN2CCC(CC2)n3ccc4c3cccc4
+c1cc(ccc1)CN2CCC(Oc3cc(Cl)cc(c3)Cl)C2
+c1cc(ccc1)CN2CCC3(CC2)C(NC(=O)N3CCc4ccc(cc4)OC)=O
+c1cc(ccc1)CN2CCCC(C2)O
+c1cc(ccc1)CN2CCCCC(CO)C2
+c1cc(ccc1)CN2CCN(C(CCOC)C2)Cc3ccccc3
+c1cc(ccc1)CN2CCNCC2
+c1cc(ccc1)CN2CCOC(CC(=O)OCC)C2
+c1cc(ccc1)CN2CCOC(COS(=O)(=O)c3ccc(cc3)C)C2
+c1cc(ccc1)CNC(N2C(CCC2)C(=O)N3C(CCC3)C(O)CC(=O)OCC)=O
+c1cc(ccc1)CNC2C(COCC2)C(OCC)=O
+c1cc(ccc1)CNC2CCC(CC2)N
+c1cc(ccc1)CNC2CCc3ccc([N+](=O)[O-])cc3C(=O)C2
+c1cc(ccc1)CNCC
+c1cc(ccc1)CNCC(=O)OCC
+c1cc(ccc1)CO
+c1cc(ccc1)COC(=O)C2C(C(=O)OC)CC(OC)CN2Cc3ccccc3
+c1cc(ccc1)COC(=O)CCN2CCNCC2
+c1cc(ccc1)COC(=O)CNCC
+c1cc(ccc1)COC(=O)N2CC(C(C)N=[N+]=[N-])CCC2
+c1cc(ccc1)COC(=O)N2CC(C(C2)OC)N=[N+]=[N-]
+c1cc(ccc1)COC(=O)N2CC(C(N=[N+]=[N-])C2)C
+c1cc(ccc1)COC(=O)N2CC(C2)C(O)=O
+c1cc(ccc1)COC(=O)N2CC(CCC2)NN
+c1cc(ccc1)COC(=O)N2CC(O)C(C2)N
+c1cc(ccc1)COC(=O)N2CC(OCCF)C(n3c4c(nc(-c5ccc(C(C)C)nc5OC)c(C)c4)c(C)c3)C2
+c1cc(ccc1)COC(=O)N2CC(Oc3c2cccc3)CO
+c1cc(ccc1)COC(=O)N2CCC(C(N=[N+]=[N-])c3occn3)C2
+c1cc(ccc1)COC(=O)N2CCC(C2)CO
+c1cc(ccc1)COC(=O)N2CCC(CC2)(O)c3ccccc3SC
+c1cc(ccc1)COC(=O)N2CCC(CC2)C3CC3CCO
+c1cc(ccc1)COC(=O)N2CCC(CC2)C3CC3CCOc4cc(F)c(CC(=O)N5CCC5)cc4
+c1cc(ccc1)COC(=O)N2CCC(CC2)CCCCC(=O)O
+c1cc(ccc1)COC(=O)N2CCC(CC2)CO
+c1cc(ccc1)COC(=O)N2CCNC(=O)C2
+c1cc(ccc1)COC(=O)N2Cc3c(cc(cc3)C(NOC4OCCCC4)=O)CC2
+c1cc(ccc1)COC(=O)NC2C(CCCC2)CO
+c1cc(ccc1)COC(=O)NC2CCN(CC2OCC)C(OCC)=O
+c1cc(ccc1)COC(=O)c2c(CO)[nH]nc2C
+c1cc(ccc1)COC(C)C(=O)NNC(=O)NCCC
+c1cc(ccc1)COC(C2CCNC2)=O
+c1cc(ccc1)COC(CC(CN(C)C)N)=O
+c1cc(ccc1)COC(Cl)=O
+c1cc(ccc1)COC(N(C)C(C)C(O)=O)=O
+c1cc(ccc1)COC(N2CC(=NOC)C(C(OCC)=O)C2)=O
+c1cc(ccc1)COC(N2CC(C=CC#N)CC2)=O
+c1cc(ccc1)COC(N2CC(Nc3nc(c(Br)nc3CC)CC)C(O)C2)=O
+c1cc(ccc1)COC(N2CCC(C(=O)OCC)C(=O)CC2)=O
+c1cc(ccc1)COC(N2CCC(CC2)n3ccc4c3cc(C(=O)OC)cc4)=O
+c1cc(ccc1)COC(N2CCCC(CCCCBr)C2)=O
+c1cc(ccc1)COC(NC(C)(C)C=2N(C(C(OC(=O)c3ccccc3)=C(C(OC)=O)N=2)=O)C)=O
+c1cc(ccc1)COC(NC2C(C(NC)CCC2)O)=O
+c1cc(ccc1)COC(NC2C(OCCC)CN(c3nc(C(=O)OCCCC)c(o3)CC)CC2)=O
+c1cc(ccc1)COC(NCC2CN(CCC2)c3nc(-c4c(cccc4)O)nc5cc(ccc35)C)=O
+c1cc(ccc1)COC(c2c3c([nH]c2C)ccc(c3)CCO)=O
+c1cc(ccc1)COC(c2cc3c([nH]cc3Cc4ccc(C(=O)OC)cc4OC)cc2)=O
+c1cc(ccc1)COC(c2ccc(C)c(OCc3ccccc3)c2)=O
+c1cc(ccc1)COC=2C=CN(C(=O)C=2)Cc3cccc(F)c3
+c1cc(ccc1)COC=2C=CN(c3cnc(cc3)F)C(=O)C=2
+c1cc(ccc1)COCC(=O)Cl
+c1cc(ccc1)COCC(C(O)=O)c2c(C)cc(cc2)Br
+c1cc(ccc1)COCC(C)CC(=N)N
+c1cc(ccc1)COCC(F)(F)CC=C
+c1cc(ccc1)COCC(N)CO
+c1cc(ccc1)COCC(O)CO
+c1cc(ccc1)COCC(Oc2ccc(F)c(c2F)C(=O)N)C(OC)=O
+c1cc(ccc1)COCC2C(NCC(=O)N2)=O
+c1cc(ccc1)COCC2CC(=O)NC2
+c1cc(ccc1)COCCBr
+c1cc(ccc1)COCCCN2C(C(c3c(cc4c(OCO4)c3)O)(O)c5ccccc25)=O
+c1cc(ccc1)COCCN2c3nc(C#N)nc(N4CCCCC4)c3NCC2
+c1cc(ccc1)COCCO
+c1cc(ccc1)COCCl
+c1cc(ccc1)COCN2C(=O)N(C(=C(C2=O)C)Br)C
+c1cc(ccc1)COCn2c(c(C(OCC)=O)c(Cc3ccccc3F)c2Br)C=O
+c1cc(ccc1)COCn2cc(c3nc(nc(N)c23)CCCC)I
+c1cc(ccc1)CON2C(C(=C(c3cc(cnc23)C(OC)=O)O)C(=O)OCC)=O
+c1cc(ccc1)CON2C3CN(C(C(OC)=O)CC3)C2=O
+c1cc(ccc1)COc2c(N)nccc2
+c1cc(ccc1)COc2c(Oc3ccc(cc3)OCCN4CCCCC4)c5ccc(OC)cc5cc2
+c1cc(ccc1)COc2c([N+](=O)[O-])c3CCC4C(c3cc2)CCC5(C4CCC5=O)C
+c1cc(ccc1)COc2c(c(C)cc(C)n2)C=O
+c1cc(ccc1)COc2c(cc(CCN)cc2)OC
+c1cc(ccc1)COc2c(cc(Cl)c(c2)-c3c4cc(sc4nc(N)n3)C(=O)N)Cl
+c1cc(ccc1)COc2c(cc(Cl)cc2)C=3CCCCC=3B(O)O
+c1cc(ccc1)COc2c(cc3c(cc4ncc(C#N)c(O)c4c3)c2)OC
+c1cc(ccc1)COc2c(ccc(C3=CC(=O)c4c(ccc(O)c4)O3)c2)OCc5ccccc5
+c1cc(ccc1)COc2c(ccc(OCc3ccccc3)c2)C4CCN(CC4)C(OCC)=O
+c1cc(ccc1)COc2c(ccc3C(=O)NCCc23)OC
+c1cc(ccc1)COc2c(cccc2)Cc3c(OC4C(OC(=O)C)C(C(OC(=O)C)C(COC(=O)C)O4)OC(=O)C)n[nH]c3C(C)C
+c1cc(ccc1)COc2c3c(ccc(F)c3)cc(c2C)CC(=O)OC
+c1cc(ccc1)COc2c3c(n(C4C(C#N)CCOC4)nc3N)ccn2
+c1cc(ccc1)COc2c3c(nc[nH]3)nc(n2)N
+c1cc(ccc1)COc2c3ccccc3cc(CO)c2
+c1cc(ccc1)COc2cc(CC#N)ccc2OCc3ccccc3
+c1cc(ccc1)COc2cc(OC(COC)C)cc(C(=O)OC)c2
+c1cc(ccc1)COc2cc(OC)cc3oc(-c4cn5c(n4)sc(n5)OC)cc23
+c1cc(ccc1)COc2cc(cc(C(=O)Nc3nn(C)cc3)c2)OC(C)COC
+c1cc(ccc1)COc2cc(cc(C(O)(CC)C(O)=O)c2)F
+c1cc(ccc1)COc2cc(cc(OCc3ccccc3)c2)C(OCC)=O
+c1cc(ccc1)COc2ccc(Br)cc2OC
+c1cc(ccc1)COc2ccc(C=O)cc2OC
+c1cc(ccc1)COc2ccc(Cl)cc2-c3ccccc3Br
+c1cc(ccc1)COc2ccc([N+](=O)[O-])c(n2)N
+c1cc(ccc1)COc2ccc(c(C)n2)Br
+c1cc(ccc1)COc2ccc(cc2)CC(CCCc3ccccc3)(C(=O)OCC)C
+c1cc(ccc1)COc2cccc(CCN)c2
+c1cc(ccc1)COc2ccccc2Br
+c1cc(ccc1)COc2ncc(cc2)O
+c1cc(ccc1)COc2nccc3c2c(N)n[nH]3
+c1cc(ccc1)COc2nn(Cc3ccccc3)cc2C(OCC)=O
+c1cc(ccc1)CS
+c1cc(ccc1)CSC(C)(CCO)C[N+](=O)[O-]
+c1cc(ccc1)CSc2n3nccc3nc(Cl)c2
+c1cc(ccc1)C[Zn+]
+c1cc(ccc1)Cc2c(CN)c(O)nc(c2)C
+c1cc(ccc1)Cc2c3cc(ccc3n(C)c2-c4ccccc4)-c5ccc(cc5)OC
+c1cc(ccc1)Cc2cc3c(cc2)[nH]cc3
+c1cc(ccc1)Cc2cc3c(cc2)oc(-c4c(cc(cc4)C=O)F)c3
+c1cc(ccc1)Cc2cc3c(ccc([N+]([O-])=O)c3)nc2Cl
+c1cc(ccc1)Cc2ccccc2O
+c1cc(ccc1)Cc2cnc(cc2)C(O)=O
+c1cc(ccc1)Cc2cnc(nc2)N3CCN(CC3)c4ncnc(Cl)n4
+c1cc(ccc1)Cc2nc(no2)CCC(OCC)OCC
+c1cc(ccc1)Cn2c(C(c3ccccc3)=CCc4ccccc4)cnc2
+c1cc(ccc1)Cn2c3C(=O)N(CCCCC(C)OC(=O)C)C(=O)N(c3nc2CCl)C
+c1cc(ccc1)Cn2c3c(Cl)nc(nc3cc2)Cl
+c1cc(ccc1)Cn2c3ccc(cc3c4c2CCCC4=O)C
+c1cc(ccc1)Cn2cnc3NC(NC(=O)c23)=O
+c1cc(ccc1)Cn2nc(cc2C)C(=O)OCC
+c1cc(ccc1)Cn2ncc(C(O)=O)c2
+c1cc(ccc1)Cn2nccc2N
+c1cc(ccc1)F
+c1cc(ccc1)I
+c1cc(ccc1)N
+c1cc(ccc1)N(C=O)C
+c1cc(ccc1)N(Cc2ccc3c(ncc(CO)c3)c2)C
+c1cc(ccc1)N(S(=O)(=O)c2c(cccc2)[N+](=O)[O-])CCC=C
+c1cc(ccc1)N(c2cc(nn3c2ncc3)Cl)Cc4ccc(cc4)OC
+c1cc(ccc1)N(c2ccccc2)C(Cl)=O
+c1cc(ccc1)N(c2ccccc2)CC(=O)O
+c1cc(ccc1)N2C(=O)N(C(Cl)=O)CC2
+c1cc(ccc1)N2C(=O)N(Cc3nc(ccc23)F)Cc4ccc(cc4)OC
+c1cc(ccc1)N2C(C(C(=O)OCC)=C3N2CCOC3)=O
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+c1cc(ccc1-c2csc3cc(ccc23)OC)O
+c1cc(ccc1-c2n(c3cc(ccc3c2C#N)OCC)CC)N
+c1cc(ccc1-c2nc(C)c(C(=O)O)s2)Cl
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+c1cc(ccc1-c2nc(Cl)cc(n2)Cl)[N+](=O)[O-]
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+c1cc(ccc1-c2nc(SC)ncc2)Br
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+c1cc(ccc1-c2nn(C)c(OC(F)F)c2)Cl
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+c1cc(ccc1-c2oc3cc(NS(=O)(=O)C)c(C4CC4)cc3c2C(NC)=O)F
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+c1cc(ccc1-n2c(C)c3C(N(C(=O)N(Cc4c(F)cccc4F)c3n2)c5cccc(c5F)OC)=O)[N+](=O)[O-]
+c1cc(ccc1-n2c(CC)nc3cc(c(Cl)cc23)C#N)CCO
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+c1cc(ccc1-n2c(nc3cnccc23)-c4nonc4N)OC
+c1cc(ccc1-n2c3c(c(C)cc(C)n3)nc2CC)CCOC(=O)CC
+c1cc(ccc1-n2cc(nn2)C)F
+c1cc(ccc1-n2cccn2)CBr
+c1cc(ccc1-n2cccn2)Cc3c(O)nc4c(ccc(c4c3C)O)Cl
+c1cc(ccc1-n2nc(c(OCC)c2)C(OCC)=O)F
+c1cc(ccc1-n2nnc(c2C(=O)OC)C)Br
+c1cc(ccc1B(O)O)-c2[nH]nnn2
+c1cc(ccc1B(O)O)-c2nc(c(C)nc2C)C(N)=O
+c1cc(ccc1B(O)O)C#N
+c1cc(ccc1B(O)O)C(C)C
+c1cc(ccc1B(O)O)C(OC)=O
+c1cc(ccc1B(O)O)C=CC(=O)OC
+c1cc(ccc1B(O)O)CC(C(O)=O)N
+c1cc(ccc1B(O)O)CO
+c1cc(ccc1B(O)O)Cl
+c1cc(ccc1B(O)O)I
+c1cc(ccc1B(O)O)N
+c1cc(ccc1B(O)O)N(C)C
+c1cc(ccc1B(O)O)OCOC
+c1cc(ccc1B(O)O)OCc2ccccc2
+c1cc(ccc1B(O)O)S(=O)(=O)N2CCCC2
+c1cc(ccc1B(O)O)S(=O)(=O)N2CCOCC2
+c1cc(ccc1B(O)O)[N+](=O)[O-]
+c1cc(ccc1Br)-c2c(C(O)CC=C)c(C)no2
+c1cc(ccc1Br)-c2c(C(OC)=O)c(no2)C
+c1cc(ccc1Br)-c2c[nH]c(C3NCC(C)C3)n2
+c1cc(ccc1Br)-c2ccc(cc2)N3N=CCCC3=O
+c1cc(ccc1Br)-c2nc(C)c(C)[nH]2
+c1cc(ccc1Br)-c2nc(CCOS(=O)(=O)c3ccc(cc3)C)c(C)o2
+c1cc(ccc1Br)-c2nc(oc2C3CCCCC3C(=O)OC)-c4cccc(Cl)c4F
+c1cc(ccc1Br)-c2nnc(S(=O)C)nc2
+c1cc(ccc1Br)-c2onc(C)c2C(c3nnn(Cc4c(Cl)cccc4F)c3)O
+c1cc(ccc1Br)-c2onc(C)c2CC(=O)O
+c1cc(ccc1Br)-n2c(C(=O)OCC)c(cc2Cl)NC(=O)C
+c1cc(ccc1Br)-n2c(c(N)cc2)C(OCC)=O
+c1cc(ccc1Br)-n2cnnn2
+c1cc(ccc1Br)B(O)O
+c1cc(ccc1Br)Br
+c1cc(ccc1Br)C(C(=O)C2CCCCC2C(OC)=O)N
+c1cc(ccc1Br)C(C(C2C(CCCC2)C(=O)OC)=O)NC(=O)c3ccc(c(c3)F)F
+c1cc(ccc1Br)C(C)(C)C(=O)O
+c1cc(ccc1Br)C(C)C
+c1cc(ccc1Br)C(C)CC(=O)O
+c1cc(ccc1Br)C(C)NCCC2(OCCO2)C(C)C
+c1cc(ccc1Br)C(CC(=O)N(OC)C)c2c(cccc2)C
+c1cc(ccc1Br)C(CN)=O
+c1cc(ccc1Br)C(CO)(CO)COCc2ccccc2
+c1cc(ccc1Br)C(N2CCC(OC2=O)(C(C)C)CCCO)C
+c1cc(ccc1Br)C2(CCCC2)C=O
+c1cc(ccc1Br)C2(SC(=NC(c3ccc(cc3)F)C)NC2=O)C
+c1cc(ccc1Br)C2=CCNCC2
+c1cc(ccc1Br)C2CC(CC2)(N)C(O)=O
+c1cc(ccc1Br)C2CC2CO
+c1cc(ccc1Br)C=CS(=O)(=O)Cl
+c1cc(ccc1Br)C=O
+c1cc(ccc1Br)CBr
+c1cc(ccc1Br)CC#N
+c1cc(ccc1Br)CC(O)=O
+c1cc(ccc1Br)CC=2C(=O)N(C(=NC=2CCCC)C)c3ncc(cn3)OC
+c1cc(ccc1Br)CCC(=O)O
+c1cc(ccc1Br)CCN2C(C)CCC2
+c1cc(ccc1Br)N
+c1cc(ccc1Br)N2C(c3c(OCC2)ncnc3N)=O
+c1cc(ccc1Br)N2CCNCC2
+c1cc(ccc1Br)N=C=O
+c1cc(ccc1Br)NCC
+c1cc(ccc1Br)NN
+c1cc(ccc1Br)O
+c1cc(ccc1Br)OCC
+c1cc(ccc1Br)OCC(O)=O
+c1cc(ccc1Br)OCCN2CCCC2
+c1cc(ccc1Br)OCc2ccccc2
+c1cc(ccc1Br)OCc2csc3c(C(O)=O)cnc(N)c23
+c1cc(ccc1Br)Oc2ccccc2
+c1cc(ccc1Br)Oc2n(c3C(N(C(N(C)c3n2)=O)C)=O)Cc4cccc(OC)c4
+c1cc(ccc1Br)S(=O)(=O)N(C)C
+c1cc(ccc1Br)S(=O)(=O)Nc2ncncc2
+c1cc(ccc1Br)S(=O)(=O)c2cnc(Cl)cc2
+c1cc(ccc1Br)[N+]([O-])=O
+c1cc(ccc1C#C)C#N
+c1cc(ccc1C#C)Cl
+c1cc(ccc1C#C)F
+c1cc(ccc1C#C)OC
+c1cc(ccc1C#CC#CCO)C(=O)NC(C(=O)OC)C(C)N
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+c1cc(ccc1O)OCCOC2CCCC2
+c1cc(ccc1O)S
+c1cc(ccc1O)S(=O)(=O)C
+c1cc(ccc1OC(=O)C)-c2occn2
+c1cc(ccc1OC(=O)C)C(C(=O)O)=Cc2cc(c(F)cc2)C
+c1cc(ccc1OC(C(OC)=O)=CC)C2CC2
+c1cc(ccc1OC(C)(C)C(OCC)=O)O
+c1cc(ccc1OC(C)C(=O)O)Br
+c1cc(ccc1OC(C)C)-c2ccc(O)c(c2)[N+](=O)[O-]
+c1cc(ccc1OC(Cl)=O)Cl
+c1cc(ccc1OC(Cl)=O)[N+]([O-])=O
+c1cc(ccc1OC(F)F)C2CC(C(OC)=O)CNC2
+c1cc(ccc1OC(F)F)C=O
+c1cc(ccc1OC(OCC)=O)OC
+c1cc(ccc1OC)-c2[nH]nc3-c4c(Cc23)scc4
+c1cc(ccc1OC)-c2c(C)nc(c(C#N)c2)O
+c1cc(ccc1OC)-c2c3c(oc2-c4ccccc4F)ncnc3O
+c1cc(ccc1OC)-n2c(C(C(CC)CC)N=[N+]=[N-])ccn2
+c1cc(ccc1OC)-n2c3c(CCNC3=O)c(n2)C(=O)OCC
+c1cc(ccc1OC)Br
+c1cc(ccc1OC)C
+c1cc(ccc1OC)C(C)(C)C#N
+c1cc(ccc1OC)C(CBr)=O
+c1cc(ccc1OC)C(Cl)=O
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+c1cc(ccc1OC)C2(CCOCC2)O
+c1cc(ccc1OC)C=O
+c1cc(ccc1OC)CC(Cl)=O
+c1cc(ccc1OC)CCCC(=O)O
+c1cc(ccc1OC)CCCCO
+c1cc(ccc1OC)CCl
+c1cc(ccc1OC)CN(c2nc(Cl)nn3c(cnc23)C#N)C4CC4
+c1cc(ccc1OC)CN2C(=O)C(C(OCC)=O)=C(O)c3cc(cnc23)F
+c1cc(ccc1OC)CN2C(C(Cl)=C(C(C(=O)OC)=C2)C(=O)OC)=O
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+c1cc(ccc1OC)CN2NC(=O)c3c2cccc3
+c1cc(ccc1OC)CO
+c1cc(ccc1OC)COc2cc(c(cc2)C)C(=O)c3c([N+](=O)[O-])cc(cc3)Br
+c1cc(ccc1OC)COc2ccc3c(c2)n(-c4sc(c(OC(C)c5ccccc5Cl)c4)C(OC)=O)cn3
+c1cc(ccc1OC)Cc2c(O)nc(N)nc2C
+c1cc(ccc1OC)Cn2nc(c(C(=O)C=CN(C)C)c2)-c3cc(ccc3)[N+]([O-])=O
+c1cc(ccc1OC)Cn2nc(c(c2)C(CBr)=O)Br
+c1cc(ccc1OC)N
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+c1cc(ccc1OC)N2C(C(NC)C)=Nc3c(C2=O)cccc3
+c1cc(ccc1OC)N=C=S
+c1cc(ccc1OC)O
+c1cc(ccc1OC)OC
+c1cc(ccc1OC)OCC(O)C
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+c1cc(ccc1OC)S(=O)(=O)Cl
+c1cc(ccc1OC)S(=O)(=O)N2CCNCC2
+c1cc(ccc1OC2CCCC2O)C=O
+c1cc(ccc1OCC#N)O
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+c1cc(ccc1OCC(O)=O)C(=O)C
+c1cc(ccc1OCC(O)=O)CCCCNC(=O)OCc2ccccc2
+c1cc(ccc1OCC(O)=O)Cl
+c1cc(ccc1OCC)CC(O)=O
+c1cc(ccc1OCC2(Oc3c(c(c(O)c(c3C)C)C)CC2)C)[N+](=O)[O-]
+c1cc(ccc1OCC2CCNCC2)F
+c1cc(ccc1OCC2CO2)F
+c1cc(ccc1OCC2CO2)OC
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+c1cc(ccc1OCC2OC(C)(C)OC2)C#N
+c1cc(ccc1OCC=2OC=C(OCc3ccccc3)C(=O)C=2)CC(C)=O
+c1cc(ccc1OCCCC(=O)OCC)Nc2c(cnc(Cl)n2)[N+](=O)[O-]
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+c1cc(ccc1OCCCCCCCC)-c2ccc(cn2)CCCCCCCC
+c1cc(ccc1OCCCCl)-c2sc3CCC(c3n2)C(OCC)=O
+c1cc(ccc1OCCCCl)-c2sc3CNCCc3n2
+c1cc(ccc1OCCCN2CCCCCC2)I
+c1cc(ccc1OCCN(CCOS(=O)(=O)C)S(=O)(=O)C)C#N
+c1cc(ccc1OCCN=[N+]=[N-])[N+]([O-])=O
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+c1cc(ccc1OCCOC)Nc2c(N)cnc(Cl)n2
+c1cc(ccc1OCCOCCOCCOCCCCCCCCCC=C)OC(=O)C
+c1cc(ccc1OCCl)Cl
+c1cc(ccc1OCOC)C2(C)CSc3cc(OCOC)ccc3C2=O
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+c1cc(ccc1OCc2[nH]c3c(c(C)ccc3)n2)Cl
+c1cc(ccc1OCc2cccc(F)c2)N3CC(C(O)=O)CC3=O
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+c1cc(ccc1OCc2ccccc2)C3=C(OC(C)(C)C3=O)c4ccc(cc4)OC
+c1cc(ccc1OCc2ccccc2)CC(Cl)=NO
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+c1cc(ccc1Oc2cc3c(O)c(C(=O)OCCCC)nc(c3cc2)O)OCCC
+c1cc(ccc1Oc2ccc(C(=O)OCC)cn2)C=O
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+c1cc(ccc1Oc2ccccc2)-c3nc(cc(O)c3C#N)-c4ccc(cc4)[N+](=O)[O-]
+c1cc(ccc1Oc2ccccc2)C(O)=O
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+c1cc(ccc1Oc2ccccc2)N=C=O
+c1cc(ccc1Oc2ccccc2)NC(CBr)=O
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+c1cc(ccc1P(C)(C)=O)Br
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+c1cc(ccc1S(=O)(=O)C)C2=CN(C(=O)N2)C3CC3
+c1cc(ccc1S(=O)(=O)C)C=O
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+c1cc(ccc1S(=O)(=O)CC#N)Cl
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+c1cc(ccc1S(=O)(=O)N)C
+c1cc(ccc1S(=O)(=O)N)N
+c1cc(ccc1S(=O)(=O)N2CCC(CC2)=O)C
+c1cc(ccc1S(=O)(=O)NC2C(=O)NCCCC2)Cl
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+c1cc(ccc1S(=O)(=O)O)NC
+c1cc(ccc1S(=O)(=O)OC)C
+c1cc(ccc1S(=O)(=O)OCC2COC(C)(C)O2)C
+c1cc(ccc1S(=O)(=O)OCC2COc3ccc(cc3O2)F)C
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(c(-c4ccsc4)cc(c3)Cl)O2)C
+c1cc(ccc1S(=O)(=O)OCCC2Cc3ccccc3O2)C
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCCOc2ccc(cc2)[N+](=O)[O-])C
+c1cc(ccc1S(=O)(=O)c2ccccc2)C#N
+c1cc(ccc1S(=O)(=O)n2c(-c3c[nH]c4cc(c(OC)cc34)OCc5ccccc5)cc6cccnc26)C
+c1cc(ccc1S(=O)(=O)n2c(cc3c(ccnc23)C=O)-c4c5nc(c(OC)cc5n(c4)C)OC)C
+c1cc(ccc1S(=O)(=O)n2c3c(c(c2)C(C)(C)O)cc(Br)cn3)C
+c1cc(ccc1S(=O)(=O)n2c3ncc(c(C=O)c3c(c2)C(O)=O)F)C
+c1cc(ccc1S(=O)(=O)n2c3nccc(CO)c3cc2-c4c5cc(OC)c(OC)cc5n(C)c4)C
+c1cc(ccc1S(=O)(=O)n2cc(c3c(c(cnc23)Cl)C=O)C(=O)O)C
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+c1cc(ccc1S)Cl
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+c1cc(ccc1S)OC
+c1cc(ccc1SC)C(=O)C2CCCCC2
+c1cc(ccc1SC)C=CC(C)=O
+c1cc(ccc1SC)C=O
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+c1cc(ccc1SC)S
+c1cc(ccc1SCC(C)=O)Br
+c1cc(ccc1SCCCBr)C(=O)CCCCC(OC)=O
+c1cc(ccc1Sc2c(C=O)c(ccc2)Cl)OC
+c1cc(ccc1[Mg]Br)Cl
+c1cc(ccc1[Mg]Br)F
+c1cc(ccc1[Mg]Br)OC
+c1cc(ccc1[N+](=O)[O-])-c2cc(C(=O)OCC)c([nH]2)N
+c1cc(ccc1[N+](=O)[O-])-c2ccc(cc2)O
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+c1cc(ccc1[N+](=O)[O-])C(C(OCC)=O)=O
+c1cc(ccc1[N+](=O)[O-])C(C)(C)C#N
+c1cc(ccc1[N+](=O)[O-])C(CBr)=O
+c1cc(ccc1[N+](=O)[O-])C(O)=O
+c1cc(ccc1[N+](=O)[O-])C2(CCS(=O)(=O)CC2)C#N
+c1cc(ccc1[N+](=O)[O-])CN2c3c(NC4C(C2=O)CCC4)cccc3
+c1cc(ccc1[N+](=O)[O-])NCCO
+c1cc(ccc1[N+](=O)[O-])NN
+c1cc(ccc1[N+](=O)[O-])O
+c1cc(ccc1[N+]([O-])=O)-c2ccc(C)c(c2)C(OC)=O
+c1cc(ccc1[N+]([O-])=O)-c2ccc3c(ccc(O)c3)c2
+c1cc(ccc1[N+]([O-])=O)C(C(=O)O)C
+c1cc(ccc1[N+]([O-])=O)C(C(=O)O)C(C)C
+c1cc(ccc1[N+]([O-])=O)C(OS(=O)(=O)C)CCC(OS(=O)(=O)C)c2ccc(cc2)[N+]([O-])=O
+c1cc(ccc1[N+]([O-])=O)C2CC(=O)NC(=O)C2
+c1cc(ccc1[N+]([O-])=O)C=O
+c1cc(ccc1[N+]([O-])=O)CBr
+c1cc(ccc1[N+]([O-])=O)CC(O)=O
+c1cc(ccc1[N+]([O-])=O)CC(OCC)=O
+c1cc(ccc1[N+]([O-])=O)CCN
+c1cc(ccc1[N+]([O-])=O)CCS(=O)(=O)O
+c1cc(ccc1[N+]([O-])=O)CN2c3c(CCC2=O)c(C=C4C(NC(=O)S4)=O)ccc3OC
+c1cc(ccc1[N+]([O-])=O)CO
+c1cc(ccc1[N+]([O-])=O)COC(=O)C2=C(Cl)CSC3C(N)C(=O)N23
+c1cc(ccc1[N+]([O-])=O)COC(C2=C(CSC3C(NC(=O)Cc4ccccc4)C(N23)=O)O)=O
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(=O)Cc4ccccc4)=O
+c1cc(ccc1[N+]([O-])=O)COC(C=2N3C(C(Br)C3=O)SC=2)=O
+c1cc(ccc1[N+]([O-])=O)COC(N2C(CC(O)C2)C(O)=O)=O
+c1cc(ccc1[N+]([O-])=O)Cl
+c1cc(ccc1[N+]([O-])=O)N
+c1cc(ccc1[N+]([O-])=O)N(CCOC)C(C(Br)CBr)=O
+c1cc(ccc1[N+]([O-])=O)OC(Nc2sc(cn2)Cl)=O
+c1cc(ccc1[N+]([O-])=O)OC(Oc2ccc(cc2)[N+]([O-])=O)=O
+c1cc(ccc1[N+]([O-])=O)OC=O
+c1cc(ccc1[N+]([O-])=O)OCC2(Oc3cc(c(cc3C(C2)=O)O)Cl)C
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)Cl
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)OCC2CO2
+c1cc(ccc1[N+]([O-])=O)Sc2nnc3ccc(cn23)-c4ccc(cc4)F
+c1cc(ccn1)-c2c(-c3cc(C#N)ccc3)n[nH]c2
+c1cc(ccn1)-c2cc(NCCCC)c(C(OC)=O)s2
+c1cc(ccn1)-c2cc(c(s2)C(OC)=O)N
+c1cc(ccn1)-c2cccc3c2cc[nH]3
+c1cc(ccn1)-c2n3CCCc3nc2-c4ccc(cc4)SC
+c1cc(ccn1)-c2nc(Nc3cc(ccc3)OC(F)(F)C(F)F)ncc2
+c1cc(ccn1)-c2nc(nc(O)c2)N
+c1cc(ccn1)C(=O)CBr
+c1cc(ccn1)C(=O)NN
+c1cc(ccn1)C(=O)O
+c1cc(ccn1)C(C)=O
+c1cc(ccn1)C(N)=O
+c1cc(ccn1)C(OCC)=O
+c1cc(ccn1)C2c3c(C(N)C(=O)N2)cccc3
+c1cc(ccn1)C=C
+c1cc(ccn1)CC(N)=NO
+c1cc(ccn1)CCO
+c1cc(ccn1)CCl
+c1cc(ccn1)CNN
+c1cc(ccn1)CO
+c1cc(ccn1)OCCOc2c(cc(c(c2)[N+](=O)[O-])C(N)=O)OC
+c1cc(cnc1C(=O)O)C(=O)OC
+c1cc(cnc1Cl)C#N
+c1cc(cnc1Cl)C(=O)N
+c1cc(cnc1Cl)C(=O)OC
+c1cc(cnc1Cl)C(Cl)=O
+c1cc(cnc1Cl)C(Nc2cn3c(nc(C)c3)cc2)=O
+c1cc(n(C)c1)C(=O)OC
+c1cc(nc([N+]([O-])=O)c1OC)C(=O)O
+c1cc(nc2c1cccc2)CCN
+c1cc(nc2c1cccc2)CCO
+c1cc(ncc1Br)C#N
+c1cc(ncc1Br)C(=O)O
+c1cc(ncc1Br)C(=O)c2cc(C(=O)OC)c(F)cc2
+c1cc(ncc1Br)C(NCC)=O
+c1cc(ncc1Br)C(NCCC(OCC)=O)=O
+c1cc(ncc1Br)C2=NOC(C2)CCl
+c1cc(ncc1Br)C=O
+c1cc(ncc1Br)CC(=O)O
+c1cc(ncc1Br)Cl
+c1cc(ncc1Br)F
+c1cc(ncc1Br)N
+c1cc(ncc1Br)OC
+c1cc(ncc1Br)OCC(=O)O
+c1cc(ncc1CO)Cl
+c1cc(ncc1F)N
+c1cc(ncc1I)Cl
+c1cc(ncc1I)N
+c1cc(nnc1C#N)Cl
+c1cc(nnc1C(=O)O)Cl
+c1cc(nnc1Cl)Cl
+c1cc(nnc1Cl)NN
+c1cc(nnc1I)N
+c1cc(no1)CON
+c1cc2CC(C(OC)=O)CCc2cc1C3CC4(COC(N4)=O)CC3
+c1cc2CNCCc2nc1
+c1cc2NC(CCc2cc1Br)=O
+c1cc2NC(Cc2cc1Br)C
+c1cc2c(C(=O)C(=O)N2)cc1I
+c1cc2c(C)cccc2c(OC)c1
+c1cc2c(CC(C(=O)O)NC2)cc1F
+c1cc2c(CCN2)cc1Br
+c1cc2c(c(Cl)ccn2)cc1I
+c1cc2c(c(O)c(C#N)cn2)cc1I
+c1cc2c(c(ncn2)Cl)cc1I
+c1cc2c(c(ncn2)O)nc1Cl
+c1cc2c(c(nnc2Cl)-c3cc(c(C)s3)C)cc1
+c1cc2c(c(nnc2Cl)O)cc1
+c1cc2c(c3ccccc3[nH]2)c(O)c1
+c1cc2c(cc(C)[nH]2)cc1
+c1cc2c(cc(cc2)C)nc1Cl
+c1cc2c(cc1)C(c3ccccc3O2)O
+c1cc2c(cc1)Nc3ccccc3CC2
+c1cc2c(cc1)c(cnc2N)[N+](=O)[O-]
+c1cc2c(cc1C3CO3)ccs2
+c1cc2c(cc1CO)c(ncn2)Cl
+c1cc2c(ccc(n2)C)cc1CO
+c1cc2c(cccc2)nc1COCCCCO
+c1cc2c(ccnc2Cl)nc1Cl
+c1cc2c(csc2cc1F)N3CCCNCC3
+c1cc2c(n[nH]c2nc1)C(=O)O
+c1cc2c(nc1Cl)c(ncn2)N
+c1cc2c(nnc(c2cc1)-c3scc(C)c3)Cl
+c1cc2cc(C=O)ccc2cc1O
+c1cc2cc(nn2c(c1)Cl)-c3cccc(c3)C
+c1cc2n(C3CCCCO3)ncc2cc1I
+c1cc2n(ncc2cc1I)-c3cccc(c3)Br
+c1cc2nc(CCCC)nc(c2cc1I)O
+c1cc2nc(nc(Cl)c2cc1I)Cl
+c1cc2nccn2cc1Br
+c1cc[nH]c1
+c1ccc(-c2cc(nnc2)N)cc1C(=O)OC
+c1ccc(C#N)c(N)c1
+c1ccc(C#N)c2cc[nH]c12
+c1ccc(C(=O)O)c(N)c1
+c1ccc(C(=O)O)cc1C#N
+c1ccc(C(=O)OC)c2cc[nH]c12
+c1ccc(C(C)=O)c(N)c1
+c1ccc(C(OC)=O)c(N)c1
+c1ccc(C(OCC)=O)c(N)c1
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(c(n(C)n3)C(=O)OCC)C)c1N4N=NN(C4=O)C
+c1ccc(C)c2c(cccc12)C
+c1ccc(C)o1
+c1ccc(C2CC2N)cc1C(=O)OC
+c1ccc(CBr)cc1C(=O)OC
+c1ccc(CN)o1
+c1ccc(CO)o1
+c1ccc(Cl)c(N)c1
+c1ccc(Cl)c(c1)Cl
+c1ccc(N)c(N)c1
+c1ccc(NN)cc1C(=O)OC
+c1ccc(O)c(N)c1
+c1ccc(O)c2cc[nH]c12
+c1ccc(OC)c(I)c1
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+c1ccc([N+]([O-])=O)c2c1n(nc2C)Cc3cccc(C)n3
+c1ccc(c(C)c1)C(CC(O)=O)c2cccc(c2)Br
+c1ccc(c(C)c1)C(N)CC(=O)OCC
+c1ccc(c(C)c1)S
+c1ccc(c(N)c1)C#Cc2cccn3nc(nc23)Cl
+c1ccc(c(N)c1)C(N)=O
+c1ccc(c(N)c1)OC
+c1ccc(c(N)c1)S
+c1ccc(c(OCC=C)c1OCC=C)C=O
+c1ccc(c(c1)C)O
+c1ccc(c(c1)N)C
+c1ccc(c2cc[nH]c12)[N+]([O-])=O
+c1ccc(cc1C#C)F
+c1ccc(cc1C#C)O
+c1ccc(cc1C(=O)OC)O
+c1ccc(cc1C(=O)OC)S(C)(=N)=O
+c1ccc(nc1)C(=O)O
+c1ccc2C(=O)N(C(=O)c2c1)C(CF)(C(OC)=O)CC(=O)O
+c1ccc2C(=O)N(C(=O)c2c1)C3C(=O)N(C(=C(C)C)C(OC)=O)C3CC=C
+c1ccc2C(=O)N(C(=O)c2c1)CC3(Cc4cc(OCC)c5OC(C)(C)Cc5c4C(=N3)c6ccccc6)C
+c1ccc2C(c3ccccc3COc2c1)C(C(OC)=O)CC=C
+c1ccc2CC(Cc2c1)CC(C)(C)N
+c1ccc2CCCc2c1
+c1ccc2CCNCCc2c1
+c1ccc2CN(Cc2c1)C(c3nc(N)nc4ccc(I)cc34)=O
+c1ccc2CNCCc2c1
+c1ccc2c(CC(CO)NC2)c1
+c1ccc2c(OC(C2)CI)c1
+c1ccc2c([nH]c(CN)n2)c1
+c1ccc2c(c1)-c3ccccc3C2C(=O)O
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+c1ccc2c(c1)C(=O)N(C2=O)C(CCCCOCc3ccccc3)(C#N)CF
+c1ccc2c(c1)C(=O)N(C2=O)CCC#C
+c1ccc2c(c1)C3c4c(cccc4)C2(C3)C(O)=O
+c1ccc2c(c1)CC3(C2)NC(=O)NC3=O
+c1ccc2c(c1)CCC(=O)C2
+c1ccc2c(c1)CN(C2)CC(O)CN
+c1ccc2c(c1)sc(Cl)n2
+c1ccc2c(c3ccccc3[nH]2)c1
+c1ccc2c(cccc2OC)c1[N+]([O-])=O
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+c1ccc2c(sc(c2)C(=O)O)c1
+c1ccc2c(sc(n2)NN)c1
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+c1ccc2cccc(C)c2c1O
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+c1cccc2C(=O)N(C)C=C(Br)c12
+c1cccc2C(=O)NC(=O)c12
+c1cccc2CCCC(=O)c12
+c1cccc2CCCCC(=O)c12
+c1cccc2Cn3cccc3CNc12
+c1cccc2N3CCCCCC3C(=O)Nc12
+c1cccc2[nH]cc(c12)C=3C(=O)N(C)C(C=3Br)=O
+c1cccc2c(c([N+]([O-])=O)cnc12)Cl
+c1cccc2c(c(cnc12)N)Cl
+c1cccc2c(ccc(Br)c12)N
+c1cccc2c(ccnc12)CC#N
+c1cccc2c1-c3ccccc3C2(C(=O)O)O
+c1cccc2c1-n3c(c(nc3)C#N)CN(C)C2=O
+c1cccc2c1CC(C2)N
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+c1cccc2c1snc2NCCN
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+c1cccc2ccc3c4CCCCc4c(cc3c12)C
+c1cccc2nc(Cl)c3n(ccn3)c12
+c1cccc2nc(cnc12)Cl
+c1cccc2nc(oc12)Cl
+c1ccccc1
+c1ccccc1-c2[nH]nc3ccc([N+](=O)[O-])cc23
+c1ccccc1-c2c(C(=O)OC)ccc(C)c2
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+c1ccccc1-c2c(N)cc(cc2S)C(O)=S
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+c1ccccc1-c2c(O)c3c(cccc3C)nn2
+c1ccccc1-c2c([nH]c3c2C(CCC3)=O)C
+c1ccccc1-c2c(c(C(=O)O)no2)CCC
+c1ccccc1-c2c(c(C)on2)C(NN)=O
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+c1ccccc1-c2c(c(c3c(n2)cc(Cl)cc3)C(=O)O)C
+c1ccccc1-c2c(c3c(Br)cccc3[nH]2)C
+c1ccccc1-c2c(cc(C(=O)O)cc2[N+]([O-])=O)S(=O)(=O)Cl
+c1ccccc1-c2c(cc3cc(ccc3c2OC(=O)C)OC)C
+c1ccccc1-c2c(nc3cc(ccn23)C=O)C(=O)OCC
+c1ccccc1-c2c(nc3ccc(F)cc3c2C(=O)OC)CC
+c1ccccc1-c2c(nc[nH]2)-c3ccccc3
+c1ccccc1-c2c(nnc(Cl)c2)Cl
+c1ccccc1-c2c(oc3nc(nc(c23)O)SC)Br
+c1ccccc1-c2c3c4c([nH]2)c(Cl)ccc4C(CC3)=O
+c1ccccc1-c2c[nH]cc2C(OC)=O
+c1ccccc1-c2cc(C(O)=O)sc2CC
+c1ccccc1-c2cc(N)n(CC(=O)OCC)n2
+c1ccccc1-c2cc(Nc3ccc(cc3)CC(C(O)CCl)N)ncn2
+c1ccccc1-c2cc(c(cc2)C(C(OC)=O)C(OC)=O)[N+]([O-])=O
+c1ccccc1-c2cc(cc3n(cnc23)C)N(C=O)C
+c1ccccc1-c2cc(ncn2)N
+c1ccccc1-c2cc3c(oc2CC#N)ccc3
+c1ccccc1-c2cc3n(c(Cl)c(C(C(OC)=O)O)c(C)n3)n2
+c1ccccc1-c2cc3n(c(cc(Cl)n3)Cl)n2
+c1ccccc1-c2cc3n(c2)cccc3
+c1ccccc1-c2ccc(C)c(C#N)n2
+c1ccccc1-c2ccc(cc2)B(O)O
+c1ccccc1-c2ccc(cc2)CBr
+c1ccccc1-c2ccc3OCCc3c2N
+c1ccccc1-c2ccc3c(c(F)c(C(=O)Cl)s3)c2
+c1ccccc1-c2ccc3c(cc(cc3)C(c4c(nccn4)Cl)N)n2
+c1ccccc1-c2cccc(c2)-c3cc(ncn3)Nc4ccc(cc4)N(CCO)CC
+c1ccccc1-c2ccccc2-c3c(OC)ccc(c3)F
+c1ccccc1-c2ccccc2B(O)O
+c1ccccc1-c2ccccc2C=CCBr
+c1ccccc1-c2ccccc2N=C=O
+c1ccccc1-c2cccnc2C=O
+c1ccccc1-c2ccn(CC(=O)O)n2
+c1ccccc1-c2ccnc(Cl)c2[N+](=O)[O-]
+c1ccccc1-c2cn(c(CNC(OCc3ccccc3)=O)n2)S(=O)(=O)N(C)C
+c1ccccc1-c2csc3nc(CCl)nc(O)c23
+c1ccccc1-c2csc3nc(nc(Cl)c23)Cl
+c1ccccc1-c2csc3nc(ncc23)Cl
+c1ccccc1-c2n3c(nc2C)ccc(C(=O)OC)c3
+c1ccccc1-c2n[nH]cc2
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCCCCC(O)=O
+c1ccccc1-c2nc(nc(-c3ccccc3)n2)Cl
+c1ccccc1-c2nc3c(ccc(OC)c3C(OC)=O)nc2Cl
+c1ccccc1-c2nc3sc(C(=O)OCC)c(N)c3c(-c4cccc(c4)[N+](=O)[O-])n2
+c1ccccc1-c2ncc([nH]2)C=O
+c1ccccc1-c2ncc(nc2-c3ccccc3)Cl
+c1ccccc1-c2sc(C)nc2C(O)=O
+c1ccccc1-c2sc(NC(=O)CBr)nn2
+c1ccccc1-n2c(N)c(C)c(Oc3ccccc3)n2
+c1ccccc1-n2cc(C)c(C(=O)OCC)n2
+c1ccccc1-n2cc(C=O)c(OCc3ccccc3)n2
+c1ccccc1-n2cc(c(-c3oc([N+](=O)[O-])cc3)n2)C(O)=O
+c1ccccc1-n2nc(C(OCC)=O)cc2N
+c1ccccc1-n2nc(c(C)n2)C(=O)O
+c1ccccc1-n2nc(c3ccc(cc23)[N+]([O-])=O)SC
+c1ccccc1-n2nc(cc2N)-c3cccnc3
+c1ccccc1-n2nc3c(c2N)CCCC3
+c1ccccc1-n2ncc(Br)c2
+c1ccccc1-n2ncc3C(N(C(c4ccc(cc4)Br)=Nc23)c5ccc(cc5)Cl)=O
+c1ccccc1C#C
+c1ccccc1C#C[Mg]Br
+c1ccccc1C(=O)C(Br)C(OCC)=O
+c1ccccc1C(=O)C=2C(=O)N(C(=O)N(C)C=2C)C
+c1ccccc1C(=O)C=O
+c1ccccc1C(=O)CC
+c1ccccc1C(=O)CCCCCC
+c1ccccc1C(=O)CCCCl
+c1ccccc1C(=O)CN(Cc2ccc(Cl)cc2Cl)C
+c1ccccc1C(=O)Cc2ccccc2
+c1ccccc1C(=O)N2CC(C)NCC2
+c1ccccc1C(=O)NC(C(CC(OCC)=O)=O)C
+c1ccccc1C(=O)NCC(O)=O
+c1ccccc1C(=O)OCC(COc2c3c(on2)ccc(c3)Cl)N
+c1ccccc1C(=O)OOC(c2ccccc2)=O
+c1ccccc1C(=O)c2c(c(CC(O)=O)ccc2)N
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+c1ccccc1C(=O)c2ccc(C(=O)O)s2
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+c1ccccc1C(C(=O)C)C(=O)OCC
+c1ccccc1C(C)(C)C(=O)C(=O)O
+c1ccccc1C(C)(C)N
+c1ccccc1C(C)Br
+c1ccccc1C(C)C
+c1ccccc1C(C)C(O)=O
+c1ccccc1C(C)N2C(=O)CC(CO)(CC=C)C2
+c1ccccc1C(C)N2CCC(CI)C2C(=O)OC
+c1ccccc1C(C)N2c3cnc(c(O)c3C=C(C2=O)Br)C(=O)OC
+c1ccccc1C(C=C)c2cc(Br)cc([N+]([O-])=O)c2OCCC
+c1ccccc1C(CC#N)Cc2ccccc2OC
+c1ccccc1C(CC(OCC)=O)=O
+c1ccccc1C(CC)N2CCNCC2
+c1ccccc1C(CCC(c2cc3c(cc2)cc(OC)cc3)=O)=O
+c1ccccc1C(CN)O
+c1ccccc1C(Cc2c(c(ccc2)OC)OC)CC#N
+c1ccccc1C(Cl)=O
+c1ccccc1C(F)C(C)N
+c1ccccc1C(N)=N
+c1ccccc1C(N)=O
+c1ccccc1C(N)CC
+c1ccccc1C(N)CN2CCC(C2)O
+c1ccccc1C(NN)=O
+c1ccccc1C(Nc2cc(Br)c(cc2)C#N)C(=O)OC
+c1ccccc1C(Nc2cncc(c2)Br)CO
+c1ccccc1C(O)C(C)N
+c1ccccc1C(O)CCCCCNc2c3ccccc3ncc2[N+]([O-])=O
+c1ccccc1C(OCC)=O
+c1ccccc1C(c2cc3c(N=CS3=O)cc2)=O
+c1ccccc1C(c2ccccc2)(C#N)CN(CC)CC
+c1ccccc1C(c2ccccc2)(C)C(C#N)O
+c1ccccc1C(c2ccccc2)(C3CCNCC3)O
+c1ccccc1C(c2ccccc2)(C=O)CC#N
+c1ccccc1C(c2ccccc2)(CC3CCNCC3)O
+c1ccccc1C(c2ccccc2)(CNC(=O)OC(C)(C)C)C=O
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CC5C(CCC5NC(=O)Nc6cc(cc(CC)c6)-c7n(nnn7)C)C4
+c1ccccc1C(c2ccccc2)(c3ccccc3)NC(C(C(C)C)O)CC
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(N4CC(CC4)CF)C
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(nc(c4)CCCO)F
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(CCC(=O)OC)nc4
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(Cc5ccc(nc5)N6C=C(Cl)C=CC6=O)nc4
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc([Sn](CCCC)(CCCC)CCCC)nc4
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4ncc5cc(c(cc45)[N+](=O)[O-])CC(O)=O
+c1ccccc1C(c2ccccc2)=Nc3cc4N(CC(CCl)c4c5ccccc35)C(=O)OC(C)(C)C
+c1ccccc1C(c2ccccc2)C#N
+c1ccccc1C(c2ccccc2)C3CC(O)CCO3
+c1ccccc1C(c2ccccc2)C=O
+c1ccccc1C(c2ccccc2)CCBr
+c1ccccc1C(c2ccccc2)CN
+c1ccccc1C(c2ccccc2)N3CC(C3)=O
+c1ccccc1C(c2ccccc2)N3CC(C3)C#N
+c1ccccc1C(c2ccccc2)N3CC(C3)Sc4ccc(cc4)Cl
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CCCCN4C(c5ccccc5C4=O)=O
+c1ccccc1C(c2ccccc2)N3CCNCC3
+c1ccccc1C(c2ccccc2)N3c4c(cc(C)cc4)C(c5cc6OCOc6cc5O)(O)C3=O
+c1ccccc1C(c2ccccc2)N=C=O
+c1ccccc1C(c2ccccc2)OC(C3=C(CSC4C(NC(=O)OC(C)(C)C)C(=O)N34)c5sc(nc5)N)=O
+c1ccccc1C2(C)CNc3cc(Br)ccc23
+c1ccccc1C2(C=CCC=C2)CC(=O)C
+c1ccccc1C2(CC2)c3nc4c(nc(-c5ccc(cc5F)C6OCCCO6)s4)cc3
+c1ccccc1C2(CCNCC2)C(O)=O
+c1ccccc1C2(CCOCC2)C
+c1ccccc1C2(c3ccccc3)C(=O)N(CC)CC2C=C
+c1ccccc1C2(c3ccccc3)CCNCC2
+c1ccccc1C2=C(OC(=O)c3c2cc(Br)cc3)C(O)=O
+c1ccccc1C2=CC(C(=O)OC)=C3c4c(CN3C2=O)cccc4
+c1ccccc1C2=CCCn3c2ncc3
+c1ccccc1C2=CCN(CC2)CCC#C
+c1ccccc1C2=CCNCC2
+c1ccccc1C2=CSC(N2)=S
+c1ccccc1C2=NCc3n(c(nn3)C)-c4ccc(F)cc24
+c1ccccc1C2C(N=[N+]=[N-])C(Nc3ccccc3O2)=O
+c1ccccc1C2CC2B(O)O
+c1ccccc1C2CC2C(=O)O
+c1ccccc1C2CCC(CC2)CC(=O)OCC
+c1ccccc1C2CCCNC2C(=O)O
+c1ccccc1C2CCc3c2nc(nc3Cl)Cl
+c1ccccc1C2CO2
+c1ccccc1C2COC(N2)=O
+c1ccccc1C2N(C(CC2C(OC)=O)=O)C
+c1ccccc1C2Oc3c(C4(C(=O)N(C)C(SC)=N4)C2)cc(cc3)Br
+c1ccccc1C2Oc3ccc(cc3CC2)O
+c1ccccc1C2c3c(c(nc(n3)Cl)NC)C(=O)C2
+c1ccccc1C=2CCN(CC=2)CCCCc3c4c(ccc(C#N)c4)[nH]c3
+c1ccccc1C=2NC(NC=2c3ccccc3)=S
+c1ccccc1C=CCN2CCC(CC2)N
+c1ccccc1C=Cc2cc(-c3[nH]c4c(C(NC(N4)=S)=O)c3)ccn2
+c1ccccc1C=NCC2OC(N(c3ccc(c(F)c3)C4CCNCC4)C2)=O
+c1ccccc1C=O
+c1ccccc1CBr
+c1ccccc1CC#N
+c1ccccc1CC(=O)C
+c1ccccc1CC(=O)CBr
+c1ccccc1CC(=O)O
+c1ccccc1CC(C(CC(CCC(C)(C)F)C(=O)N)O)NC(=O)c2nc3ccccc3nc2
+c1ccccc1CC(C(O)=O)NC(OCc2ccccc2)=O
+c1ccccc1CC(C)(C)CO
+c1ccccc1CC(CC(=O)OC)=O
+c1ccccc1CC(CCl)C
+c1ccccc1CC(N)C(O)C(=O)OCC
+c1ccccc1CC(N)CN
+c1ccccc1CC(O)C(=O)O
+c1ccccc1CC(O)CCCc2ccccc2C(=O)OC
+c1ccccc1CC(OCC)=O
+c1ccccc1CC(c2ccc(cc2)O)=O
+c1ccccc1CC2C(=O)NCC(=O)N2C
+c1ccccc1CC2COC(=O)N2
+c1ccccc1CC=C
+c1ccccc1CCBr
+c1ccccc1CCC(=O)Cl
+c1ccccc1CCC(C(=O)O)N
+c1ccccc1CCCC(=O)O
+c1ccccc1CCCC(C(C)=O)(C)C(=O)OC
+c1ccccc1CCCC(C(OC)=O)C(C)=O
+c1ccccc1CCCC(CCCc2ccccc2)N
+c1ccccc1CCCCCCC
+c1ccccc1CCCCCCC(=O)O
+c1ccccc1CCCCCCCO
+c1ccccc1CCCCCCO
+c1ccccc1CCCCCO
+c1ccccc1CCCCI
+c1ccccc1CCCN
+c1ccccc1CCCN=C=O
+c1ccccc1CCCO
+c1ccccc1CCN
+c1ccccc1CCO
+c1ccccc1CCOCCC=O
+c1ccccc1CCOc2ccc(cc2CCCC#N)Cl
+c1ccccc1CC[Mg]Cl
+c1ccccc1CCc2ccnc(c2)O
+c1ccccc1CN
+c1ccccc1CN(C)CCCN2CCCCCC2
+c1ccccc1CN(Cc2ccccc2)C(CO)C(=O)OC
+c1ccccc1CN(Cc2ccccc2)C3CC(C(C)C3)c4cnc5cnc6n(ccc6n45)S(=O)(=O)c7ccc(cc7)C
+c1ccccc1CN(Cc2ccccc2)c3c(c(Cl)ncn3)[N+](=O)[O-]
+c1ccccc1CN2C(=O)C(C(OCC)=O)=C(c3cc(Cl)ccc23)O
+c1ccccc1CN2C(C(=O)N)CCC(C)(C)C2
+c1ccccc1CN2C(C(=O)O)C(OCC2=O)C
+c1ccccc1CN2C(C)=CC(C3=C2N(C)C(N(CCCCC(C)OC(=O)C)C3=O)=O)=O
+c1ccccc1CN2C(C)COC(CC=O)(C)C2=O
+c1ccccc1CN2C(CC(=O)OC)COCC2
+c1ccccc1CN2C(CCO)COC(C2=O)C
+c1ccccc1CN2C=C(C(OCC)=O)C(=O)N2
+c1ccccc1CN2CC(C(C(Oc3ncc(C#N)cc3)C)C2)c4cc(c(Cl)cc4)Cl
+c1ccccc1CN2CC(C(C2)C(Oc3ncc(Cl)cc3)C)c4cc(c(Cl)cc4)Cl
+c1ccccc1CN2CC(C(CC2)C(OCC)=O)=O
+c1ccccc1CN2CC(C(O)=O)C(C2)c3cc(Cl)c(cc3)Cl
+c1ccccc1CN2CC(c3cc(c(cc3)Cl)F)C([N+](=O)[O-])C2
+c1ccccc1CN2CC3(CC2)CO3
+c1ccccc1CN2CC3C(C(C(CC3)C)=O)C2
+c1ccccc1CN2CC3C(CCC3C2)=O
+c1ccccc1CN2CC3C(c4cc([N+]([O-])=O)ccc4)(C)C3C2=O
+c1ccccc1CN2CCC(CC2(C)C)=O
+c1ccccc1CN2CCC(CC2)CCl
+c1ccccc1CN2CCC(CC2)N
+c1ccccc1CN2CCC(CC2)NC(=O)c3cncc(c3)C
+c1ccccc1CN2CCC(CC2)O
+c1ccccc1CN2CCCC(O)(c3cccc(c3)OC)C2
+c1ccccc1CN2CCCCC2=O
+c1ccccc1CN2CCc3c(C2)c(c4c(ccc(C#N)c4)n3)Cl
+c1ccccc1CN2CCc3c(ccnc3O)C2
+c1ccccc1CN2CCc3nc(Cl)nc(c3C2)Cl
+c1ccccc1CN2Cc3c(C2)c([nH]n3)C(=O)OCC
+c1ccccc1CN2Cc3c(ncnc3O)CC2
+c1ccccc1CN2Cc3n(CC2)cnc3C(=O)OC
+c1ccccc1CN2Cc3n(nc(CO)c3)CC2
+c1ccccc1CN2N=C(c3ccccc3)C(C(=C)OCC)=CC2=O
+c1ccccc1CN2c3c(ccc(C=O)c3CCC2=O)O
+c1ccccc1CN=C=O
+c1ccccc1CN=[N+]=[N-]
+c1ccccc1CNC
+c1ccccc1CNC(=O)c2ccc(Sc3ccc(cc3)O)c(c2)N
+c1ccccc1CNC2CCN(C(=O)OC)CC2C
+c1ccccc1CNCCCl
+c1ccccc1CNCCO
+c1ccccc1CNCc2ccccc2
+c1ccccc1CNS(=O)(=O)c2ccccc2C(N)=O
+c1ccccc1COC(=O)C(C)N
+c1ccccc1COC(=O)C=C(N)CCC
+c1ccccc1COC(=O)C=Cc2cnc(cc2)N
+c1ccccc1COC(=O)CCc2cccc(OCc3ccccc3)c2
+c1ccccc1COC(=O)N(C(=O)OCc2ccccc2)C(=S)NCC
+c1ccccc1COC(=O)N(C)CC(O)=O
+c1ccccc1COC(=O)N2C(C(N)=O)Cc3c([nH]c4ccccc34)C2
+c1ccccc1COC(=O)N2C(CCC2)c3ncc4n3ccnc4Cl
+c1ccccc1COC(=O)N2CC(C(N=[N+]=[N-])CCC2C)O
+c1ccccc1COC(=O)N2CC(N=[N+]=[N-])CCC2C
+c1ccccc1COC(=O)N2CCC(CC2C(OC)=O)=O
+c1ccccc1COC(=O)NC(C(=O)O)CC2CCCCC2
+c1ccccc1COC(=O)NC(C(C)C)C(=O)Nc2cccc(c2C(O)=O)C
+c1ccccc1COC(=O)NC(C(CC(O)=O)O)CC(C)C
+c1ccccc1COC(=O)NC(C(OCC)=O)CCC(O)=O
+c1ccccc1COC(=O)NC(C2OC2)Cc3cc(F)cc(F)c3
+c1ccccc1COC(=O)NC(CC(C)C)C(=O)O
+c1ccccc1COC(=O)NC(CCSC)C(=O)O
+c1ccccc1COC(=O)NC(P(OC)(OC)=O)C(=O)OC
+c1ccccc1COC(=O)NC2C(C)(C)C(C)(C(=O)OC)CC2
+c1ccccc1COC(=O)NC2C(C)C(C3CC3)Nc4ccc(cc24)Br
+c1ccccc1COC(=O)NC2C(N(CC2)C3CCC(N)CC3CS(=O)(=O)C(C)C)=O
+c1ccccc1COC(=O)NC2CCN(C(OCc3ccccc3)=O)C2CO
+c1ccccc1COC(=O)NC2c3c(ccc(OC)n3)NC(C2)CC
+c1ccccc1COC(=O)NC2c3cc(Br)ccc3NC(C)C2C
+c1ccccc1COC(=O)NCC2CNCC2
+c1ccccc1COC(=O)NCCC#C
+c1ccccc1COC(=O)NCCCCN
+c1ccccc1COC(=O)NCCCCO
+c1ccccc1COC(=O)NCCc2nnc3N(CCCCC)c4c([nH]cn4)C(=O)n23
+c1ccccc1COC(=O)Nc2ccc(Oc3cc(C(=O)OC)ncc3)c(F)c2
+c1ccccc1COC(C(c2cc(ccc2)N=C=O)C)=O
+c1ccccc1COC(C2C(C)(C)C(NC(=O)C)C2)=O
+c1ccccc1COC(C2CCCN2)=O
+c1ccccc1COC(CN)=O
+c1ccccc1COC(N2C(C)CC(N)(C(OC)=O)CC2)=O
+c1ccccc1COC(N2C(C)CCC(C2)OC(c3ccc(cc3)[N+](=O)[O-])=O)=O
+c1ccccc1COC(N2C(CC(O)C2)C(O)=O)=O
+c1ccccc1COC(N2C(CC(OS(=O)(=O)C)C2)COCCO)=O
+c1ccccc1COC(N2C3CC(C(C3)O)C2)=O
+c1ccccc1COC(N2CCC(C(C2)NC(=O)c3ccccn3)O)=O
+c1ccccc1COC(N2CCC34C(CCCC3)C2Cc5cc(c(cc45)O)[N+](=O)[O-])=O
+c1ccccc1COC(N2CCCC(C)C2C(=O)O)=O
+c1ccccc1COC(N2CCCC23C(N(C3)CC(=O)OCC)=O)=O
+c1ccccc1COC(N2c3c(cc(N4CC(CO)OC4=O)cc3)CCCC2)=O
+c1ccccc1COC(NC(C(C)C)C(O)=O)=O
+c1ccccc1COC(NC(C)C(O)=O)=O
+c1ccccc1COC(NC(Cc2c(ccc(c2)Br)OC)C(OC)=O)=O
+c1ccccc1COC(NC2(CC2)C(=O)O)=O
+c1ccccc1COC(NC23CCCC(C(OCC)=O)(C2)CC3)=O
+c1ccccc1COC(NC2CC3(CS(C3)(=O)=O)C2)=O
+c1ccccc1COC(NC2CCC(CC2)=O)=O
+c1ccccc1COC(NC2CCC(O)CC2CO)=O
+c1ccccc1COC(NCC(N)=N)=O
+c1ccccc1COC(NCC(O)=O)=O
+c1ccccc1COC(NCCC(O)=O)=O
+c1ccccc1COC(NCCCCN(C)Cc2ccc(cc2)CNCc3[nH]ccn3)=O
+c1ccccc1COC(NCCCCc2ccc(cc2)O)=O
+c1ccccc1COC(NCCCN)=O
+c1ccccc1COC(NCCCc2cc(C)nn2CC)=O
+c1ccccc1COC(Nc2ccc(cc2)Br)=O
+c1ccccc1COC(Nc2cccc(c2C)-c3cnc(C(OCC)=O)c4[nH]c5cc(OCCOC)ccc5c34)=O
+c1ccccc1COC(c2c(C)cc(C(OC)=O)cc2)=O
+c1ccccc1COC(c2cc(C=O)ccc2OC)=O
+c1ccccc1COC2=C(OC(=CC2=O)C(S(=O)(=O)c3ccccc3)N)C(=O)O
+c1ccccc1COC2CCCCC2N
+c1ccccc1COCC(=O)NCC(=O)c2c(C)onc2-c3ccccc3
+c1ccccc1COCC23CC4(CC(CC4C2)C3)N
+c1ccccc1COCC2C(SC(=O)C)CCCO2
+c1ccccc1COCC2Oc3cc(ccc3OC2)CCBr
+c1ccccc1COCC=C
+c1ccccc1COCCC(C(=O)OCC)CC=C
+c1ccccc1COCCC2(CC2)N
+c1ccccc1COCCCBr
+c1ccccc1COCCCC(=O)O
+c1ccccc1COCCCC(C(C(=O)OCC)Cl)=O
+c1ccccc1COCCCC(C)(C)COS(=O)(=O)CCCCl
+c1ccccc1COCCCC(CO)C
+c1ccccc1COCCCC2(CC2)S(=O)(=O)Cl
+c1ccccc1COCCCCC2(OCC(=O)CCC2)C
+c1ccccc1COCCCCCO
+c1ccccc1COCCN
+c1ccccc1COCCN2C(N(C(=O)C=C2NN)CCCC)=O
+c1ccccc1COCc2nc(N)nc(N)c2-c3ccc(cc3)[N+](=O)[O-]
+c1ccccc1COCc2nc(O)c3c(ccc(OC)c3)n2
+c1ccccc1COCn2c(C)c(C#CCCO)c3nc(CCCC)nc(c23)N
+c1ccccc1CON
+c1ccccc1CON2C(=O)C(=C(O)c3cncnc23)C(=O)OCC
+c1ccccc1CON2C(=O)c3c(cc(F)c(F)c3)NC2=O
+c1ccccc1COc2[n+](ccc(C)c2)N
+c1ccccc1COc2c(C(=O)CBr)cccc2
+c1ccccc1COc2c(C(OC)=O)cc(cc2)C(CBr)O
+c1ccccc1COc2c(C(OC)=O)nc(O)cc2
+c1ccccc1COc2c(C)c(cc(C)c2)[N+](=O)[O-]
+c1ccccc1COc2c(C)cc(Oc3cccc(C(O)=O)c3)cc2
+c1ccccc1COc2c(CC(O)CO)c(cc3CCCc23)Cl
+c1ccccc1COc2c(CC)cc(Br)cc2C
+c1ccccc1COc2c(O)ccc(c2)CC
+c1ccccc1COc2c(OC)cc3nc(nc(c3c2)N)Cl
+c1ccccc1COc2c(c([N+]([O-])=O)cc(Br)c2)N(C(=O)C)CCOC
+c1ccccc1COc2c(cc(cc2)C=O)C(=O)OC
+c1ccccc1COc2c(cc3c(ncnc3Nc4ccc(Br)cc4F)c2)OC
+c1ccccc1COc2c(cc3c(ncnc3c2)Nc4c(F)cc(Cl)cc4)OC
+c1ccccc1COc2c(ccc(c2)OCOC)C=CC(=O)OCC
+c1ccccc1COc2c(cccc2)B(O)O
+c1ccccc1COc2c(cccc2)C(N)=O
+c1ccccc1COc2c(cccc2C#N)CC(OC)=O
+c1ccccc1COc2c(ncc(Br)c2)Nc3scc(C)n3
+c1ccccc1COc2c3c([nH]c(c3)C(OC)=O)ccc2OC
+c1ccccc1COc2c3c(cc(CC(OC)=O)c2)ccc(F)c3
+c1ccccc1COc2c3nc(cc(C=C)c3ccc2)C
+c1ccccc1COc2cc(-c3cn(C4CC(C4)C(=O)OC)c5c3c(N)ncn5)ccc2
+c1ccccc1COc2cc(-c3cn(C4CC(C4)CO)c5c3c(N)ncn5)ccc2
+c1ccccc1COc2cc(C(O)=O)c(cc2)C
+c1ccccc1COc2cc(Cl)c(C=C(N=[N+]=[N-])C(OCC)=O)cc2
+c1ccccc1COc2cc(Cl)cc3oc(C(=O)CBr)cc23
+c1ccccc1COc2cc(F)c(cc2)C(=O)O
+c1ccccc1COc2cc(F)c(cc2)NN=C(C(=O)COC)C(=O)OC
+c1ccccc1COc2cc(N)ccc2OCc3ccccc3
+c1ccccc1COc2cc(N3c4nc(nc(C)c4CC3=O)-c5ccc(OC)c(F)c5)ccc2
+c1ccccc1COc2cc(O)ccc2
+c1ccccc1COc2cc(O)ccc2C=CC(=O)OCC
+c1ccccc1COc2cc(O)ncc2
+c1ccccc1COc2cc(c(N)cc2OC)C(=O)OC
+c1ccccc1COc2cc(c(cc2)Br)C=O
+c1ccccc1COc2cc(cc(F)c2OC)C(=O)OC
+c1ccccc1COc2cc(cc3B(OC(CC(OCC)=O)c23)O)OC4CCCCO4
+c1ccccc1COc2cc(cc3c2cc(C(=O)CBr)o3)OC
+c1ccccc1COc2cc(ccc2)-c3c(cc(cc3)Cl)[N+](=O)[O-]
+c1ccccc1COc2cc(ccc2)C=CCCl
+c1ccccc1COc2cc(ccc2)N
+c1ccccc1COc2cc(ccc2CN)F
+c1ccccc1COc2cc(ccc2NC(C(=O)OC)=CC(O)=O)Br
+c1ccccc1COc2cc(ccc2O)-c3ncc(C=O)cc3
+c1ccccc1COc2cc(ccc2OCCOC)[N+]([O-])=O
+c1ccccc1COc2cc(ccc2OCc3ccccc3)Br
+c1ccccc1COc2cc3CC(N4C(CC(C(=C4)C(=O)OCC)=O)c3cc2OC)C(C)(C)COC
+c1ccccc1COc2cc3CCCC(c3cc2)C(O)=O
+c1ccccc1COc2cc3c(Cl)c([N+](=O)[O-])cnc3cc2
+c1ccccc1COc2cc3c(NCC(C)(C)N)c(cnc3cc2)[N+](=O)[O-]
+c1ccccc1COc2cc3c(c(ccn3)Oc4c(cc(cc4)[N+]([O-])=O)F)cc2OC
+c1ccccc1COc2cc3c(c(cnc3cc2F)C#N)Cl
+c1ccccc1COc2cc3c(cc2)cc[nH]3
+c1ccccc1COc2cc3c(cc2)n(cc3)Cc4cccc(c4)C(OC)=O
+c1ccccc1COc2cc3c(ncc(C#N)c3O)cc2OCCOC
+c1ccccc1COc2cc3nc(cc(c3cc2)Cl)C
+c1ccccc1COc2ccc(Br)c(c2)O
+c1ccccc1COc2ccc(C(=O)C(OCC)O)c3c2NC(CO3)=O
+c1ccccc1COc2ccc(C(CBr)=O)cc2NS(=O)(=O)C
+c1ccccc1COc2ccc(Cl)c(CO)c2
+c1ccccc1COc2ccc(OC(C)C(=O)OCC)c(c2)F
+c1ccccc1COc2ccc(c(CC)c2)C=O
+c1ccccc1COc2ccc(cc2)-c3c(C)c(C(=O)OCC)nn3-c4ccc(Cl)cc4Cl
+c1ccccc1COc2ccc(cc2)-c3c(I)cccc3-c4ccncc4
+c1ccccc1COc2ccc(cc2)-c3c(c(C(=O)O)nn3-c4c(Cl)cc(cc4)Cl)C
+c1ccccc1COc2ccc(cc2)-c3n4nccc4nc5CCCc35
+c1ccccc1COc2ccc(cc2)C=3ONC(=O)C=3
+c1ccccc1COc2ccc(cc2)CC(O)=O
+c1ccccc1COc2ccc(cc2)CC(OCC)=O
+c1ccccc1COc2ccc(cc2)CCCCCCCS(=O)(=O)O
+c1ccccc1COc2ccc(cc2)CCl
+c1ccccc1COc2ccc(cc2)I
+c1ccccc1COc2ccc(cc2)N
+c1ccccc1COc2ccc(cc2)N(C)c3ccc(cc3)C(C(OC)=O)C
+c1ccccc1COc2ccc(cc2)O
+c1ccccc1COc2ccc(cc2)OCCBr
+c1ccccc1COc2ccc(cc2)S(=O)(=O)NC3CCOCC3(C)C(=O)O
+c1ccccc1COc2ccc(cc2Cl)B(O)O
+c1ccccc1COc2ccc(cc2F)B(O)O
+c1ccccc1COc2ccc3C(=O)N(C(=C(c3c2)OCCCC)C(O)=O)CC(C)C
+c1ccccc1COc2ccc3[nH]c(cc3c2)CC(C)C(=O)OC
+c1ccccc1COc2ccc3[nH]ccc3c2
+c1ccccc1COc2ccc3c(c2)ncc4c3C(CCC4)OC(C)=O
+c1ccccc1COc2ccc3c(n(cn3)-c4sc(C(=O)OCC)c(-c5cccc(Cl)c5)n4)c2
+c1ccccc1COc2ccc3c(oc(c3)C(CC)(CC)O)c2
+c1ccccc1COc2ccc3n(C(C)C)c(C(=O)OCC)cc3c2
+c1ccccc1COc2ccc3n4C(C)CNC(c4cc3c2)=O
+c1ccccc1COc2cccc(C(CC(=O)OCC)C[N+](=O)[O-])c2
+c1ccccc1COc2cccc(c2)-c3[nH]ncc3-c4nc(ncc4)Cl
+c1ccccc1COc2cccc(c2)B(O)O
+c1ccccc1COc2cccc(c2)C(CCN)O
+c1ccccc1COc2cccc3c(cc(nc23)C)Cl
+c1ccccc1COc2cccc3c2cc(C(OCC)=O)[nH]3
+c1ccccc1COc2cccc3ccc(nc23)Cl
+c1ccccc1COc2cccc3n(C)c(C(=O)OCC)cc23
+c1ccccc1COc2ccccc2CO
+c1ccccc1COc2ccccc2O
+c1ccccc1COc2cnc(c(OCc3ccccc3)c2)C#N
+c1ccccc1COc2nnc(cc2OCc3ccccc3)Cl
+c1ccccc1CSc2ccc3c(Br)c(nnc3c2)Br
+c1ccccc1C[Mg]Cl
+c1ccccc1Cc2c(C)c(c(C)c(C)c2OC)OC
+c1ccccc1Cc2c3c([nH]c2)cccc3
+c1ccccc1Cc2ccc(cc2)O
+c1ccccc1Cc2ccccc2C(OCC)=O
+c1ccccc1Cc2nnc(Cl)c3ccccc23
+c1ccccc1Cc2nnc(N3CCC(CC3)=O)c(C)c2C
+c1ccccc1Cl
+c1ccccc1Cn2c(CC)c(C=O)c(C(=O)OC)c2C(C)C
+c1ccccc1Cn2c3c(ccc(c3)OC)cc2C(C)C
+c1ccccc1Cn2cc(CC(NN)=O)c3cc(ccc23)OC
+c1ccccc1Cn2cnc3c2nc(nc3N)Cl
+c1ccccc1N(C)C(=O)Cl
+c1ccccc1N(CC)CCCCCCO
+c1ccccc1N(c2ccccc2)c3ccc(cc3)C=Cc4ccc(cc4)C=C
+c1ccccc1N2C=C(C)C(=O)c3ccc(cc23)Cl
+c1ccccc1N2CC(OC2=O)COS(=O)(=O)C
+c1ccccc1N2CCNCC2
+c1ccccc1N2N(C)C(C)=C(C(O)=O)C2=O
+c1ccccc1N2c3c(cccc3)NC(=O)CC2=O
+c1ccccc1NC(C)C
+c1ccccc1NCC
+c1ccccc1NCc2ccco2
+c1ccccc1Nc2ccc3-c4ccccc4C(C)(C)c3c2
+c1ccccc1Nc2cnc(cc2)C#N
+c1ccccc1OC(=O)N(C(Oc2ccccc2)=O)c3cc(Oc4cc5ccn(C(=O)NC)c5cc4)ccn3
+c1ccccc1OC(=O)Nc2c(cc(C)nc2SC)SC
+c1ccccc1OC(=O)Nc2cc(nn2C)CC
+c1ccccc1OC(Cl)=O
+c1ccccc1OC(Nc2c(Cl)cc(cc2)Oc3c4c(ncc3)cc(OC)c(C(=O)OC)c4)=O
+c1ccccc1OC(Nc2ncncc2)=O
+c1ccccc1OCC(=O)Cl
+c1ccccc1OCCC=O
+c1ccccc1OCCCBr
+c1ccccc1OCCCOCCOCCCO
+c1ccccc1OCCO
+c1ccccc1Oc2c([N+](=O)[O-])c(ccc2Br)O
+c1ccccc1Oc2c(cc(cc2)F)[N+]([O-])=O
+c1ccccc1Oc2cc(Br)ccc2F
+c1ccccc1Oc2cc(C)ccc2
+c1ccccc1Oc2cc(c(Br)cc2)F
+c1ccccc1Oc2ccc(cc2)N
+c1ccccc1Oc2ccc(cc2)O
+c1ccccc1Oc2ccc(cc2)[Mg]Br
+c1ccccc1Oc2ccc(cc2N)OC
+c1ccccc1Oc2ccc(cc2[N+](=O)[O-])O
+c1ccccc1Oc2cccc(c2N)C
+c1ccccc1Oc2ccccc2CBr
+c1ccccc1Oc2ccccc2[Li]
+c1ccccc1P(c2ccccc2)(c3ccccc3)=CC(=O)OC
+c1ccccc1S(=NC(=O)c2cnc(N)c(c2)I)(C)=O
+c1ccccc1S(=O)(=O)Cc2cc(ccc2[N+](=O)[O-])F
+c1ccccc1S(=O)(=O)Cl
+c1ccccc1S(=O)(=O)NC
+c1ccccc1S(=O)(=O)Nc2cc(Sc3cc(c(cc3)[N+](=O)[O-])C=O)ccc2
+c1ccccc1S(=O)(=O)Nc2ccc(cc2C=CC(OC)=O)Cl
+c1ccccc1S(=O)(=O)c2c3c([nH]c2Cl)ccc(c3)Cl
+c1ccccc1S(=O)(=O)c2cc(OC)c([N+](=O)[O-])cc2
+c1ccccc1S(=O)(=O)c2ccc(cc2)OC
+c1ccccc1S(=O)(=O)c2cnc(C#N)cc2
+c1ccccc1S(=O)(=O)n2c(C#N)cc3nc(ccc23)Cl
+c1ccccc1S(=O)(=O)n2c3ncc(F)cc3cc2
+c1ccccc1S(=O)(=O)n2cc(c3c2cc(F)cc3)-c4ccc(c(O)c4)N
+c1ccccc1S(=O)(=O)n2ccc3cc(OC)cnc23
+c1ccccc1S(C)(=O)=N
+c1ccccc1SC
+c1ccccc1SSc2ccccc2
+c1ccccc1Sc2c3ccccc3[nH]c2
+c1ccccc1Sc2ccccc2
+c1ccccc1[Mg]Br
+c1ccccc1[N+]([O-])=O
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)C
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)CCCC(OCC)=O
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)COC
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4c(O)cccc4
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4cc(F)c(c(F)c4)F
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4ccc(cc4)CO
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4ccc5cc(OCc6ccccc6)ccc5c4
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4ccccc4Cl
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCCC3C(C4CCC5(C(=C)CCC5C4OC(C)=O)C)(C)CCC(OC(=O)C)C3
+c1cccn1C
+c1cccn2c(cnc12)C(=O)O
+c1cccnc1OC(Oc2ccccn2)=S
+c1cccnc1[Zn+]
+c1ccco1
+c1cccs1
+c1ccn(c1)-c2cc(C(=O)OC)cc(c2)C(=O)OC
+c1ccn(c1)-c2cccc(C(OC)=O)c2
+c1ccn2-c3c(NCc12)cccc3
+c1cnc(Cl)c(CNC(C2CCN(C)C(=O)C2)=O)n1
+c1cnc(Cl)c(n1)CN
+c1cnc(c2ccc(C)c(c12)I)O
+c1cnc(c2cccc(C)c12)O
+c1cnc2c(Br)cc(-c3cc(ccc3)C(=O)OC)nn12
+c1cnc2n1nc(Cl)cc2Nc3nc(ccc3)F
+c1cncc2nc(nc(Cl)c12)Cl
+c1cnccc1
+c1cnccc1-c2c(-c3cc(F)ccc3)nc(nc2O)N
+c1cnccc1-c2c(-c3ccc(s3)Cl)nn(C(C)CC)c2
+c1cnccc1-c2nc(Cl)c(c(Cl)n2)Oc3c(cccc3)OC
+c1cnccc1B(O)O
+c1cnccc1Br
+c1cnccc1C
+c1cnccc1C#N
+c1cnccc1C(Cl)=O
+c1cnccc1C(O)c2c3ccccc3[nH]c2
+c1cnccc1C(c2c3cc(ccc3[nH]c2)F)O
+c1cnccc1C2(N=C(c3ncccc23)N)c4cc(OC)ccc4
+c1cnccc1C2OC2
+c1cnccc1C=O
+c1cnccc1CBr
+c1cnccc1CC(c2cc3c(cc2)cccc3)=O
+c1cnccc1CCC
+c1cnccc1CCN
+c1cnccc1CCP(OCC)(OCC)=O
+c1cnccc1CN
+c1cnccc1CP(OCC)(OCC)=O
+c1cnccc1I
+c1cnccc1N
+c1cnccc1N(C)C
+c1cnccc1N2CCC(CC2)C(=O)O
+c1cnccc1O
+c1cnccc1S
+c1cnn(c1C(=O)c2ccc(O)c(Cl)c2Cl)C
+c1cnn(n1)-c2c(C(=O)O)c(c(F)cc2)C
+c1cnn(n1)-c2c(C(=O)O)ccc(OC)c2
+c1cnn(n1)-c2c(C(O)=O)cc(F)cc2
+c1cnn(n1)-c2c(cc(C)cc2)C(=O)O
+c1cnn(n1)-c2ccccc2CO
+c1csc(C(N)CC(=O)O)c1
+c1csc(c1)C(c2sccc2)(C(=O)OC)O
+c1csc(n1)CNC(=C(C(=O)OC)C=CC(=O)OC)C
+c1n(C)c(C(=O)c2cnc(cc2)Cl)cn1
+c1n(C)c2c(c1C(C(OC)=O)=O)cccc2
+c1n(C)cc(n1)C=O
+c1n(c(Br)nc1C)-c2c(c(OC)cc(O)c2)[N+]([O-])=O
+c1n(c(nc1)Sc2ccc(N)cc2Cl)C
+c1n(c2c(cc(cn2)-c3ccoc3)n1)-c4cccc(c4)O
+c1n2c(cc(N)c1)ccn2
+c1n2c(cc(c1)Br)nc(n2)Br
+c1n2nccc2nc(Cl)c1
+c1nc(Br)c(C)cc1C
+c1nc(C(=O)O)c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C
+c1nc(C(=O)OCC)c2n1-c3ccc(cc3C(N4C2CC4)=O)F
+c1nc(C)ccc1C(=O)OC
+c1nc(Cl)nn1-c2ccc([N+]([O-])=O)cc2O
+c1nc(N)nnc1Br
+c1nc(ccc1C#N)Br
+c1nc(ccc1C)Cl
+c1nc(ccc1C)N
+c1nc(ccc1C)NC(=O)C(CCOC)OC(C)=O
+c1nc(ccc1C)[Zn+]
+c1nc(nc(c1C)-c2c3ccccc3n(C)c2)Cl
+c1nc(ncc1)-c2c(C(O)=O)ccs2
+c1nc(ncc1)-c2c(F)nccc2
+c1nc(ncc1)-c2ccc(nc2C#N)C
+c1nc(ncc1)-c2cccc(c2)N
+c1nc(ncc1)C(=O)CCl
+c1nc(ncc1)C(C)=O
+c1nc(ncc1)C(F)(F)C(=O)OCC
+c1nc(ncc1)N2CCC(CC2)N
+c1nc(ncc1)N2CCC(CC2)O
+c1nc(ncc1-c2ccc(cc2)Br)CCCCCCCC
+c1nc(ncc1B(O)O)N
+c1nc(ncc1B(O)O)OC
+c1nc(ncc1Br)-n2c3c(ccc(C(=O)OC)c3)c(c2)SC
+c1nc(ncc1Br)C(O)=O
+c1nc(ncc1Br)C=2CCOCC=2
+c1nc(ncc1Br)CO
+c1nc(ncc1Br)N
+c1nc(ncc1C#Cc2cccc(N)c2)N
+c1nc(ncc1C(=O)OC)Cl
+c1nc(ncc1C(=O)OC)N2CCc3c([nH]c4ccccc34)C2
+c1nc(ncc1C(=O)OCC)Cl
+c1nc(ncc1C(=O)OCC)SC
+c1nc(ncc1C(CC(=O)OCC)CCO)C
+c1nc(ncc1C)CC#N
+c1nc(ncc1CC(C(=O)OC)C=O)OC
+c1nc(ncc1CCC(OC)=O)C
+c1nc(ncc1CO)Cl
+c1nc(ncc1Cl)Cl
+c1nc(ncc1Cl)N2CCC(CC2)C3CC3CCO
+c1nc(ncc1F)C(C)N
+c1nc(ncc1F)Cl
+c1nc(ncc1I)Cl
+c1nc(ncc1OCCOC)Cl
+c1nc(ncc1[N+]([O-])=O)Cl
+c1nc(ncc1[N+]([O-])=O)N
+c1nc2Nc3cc(C(=O)OC)ccc3Sc2nc1
+c1nc2c(C(NC(=O)N2C)=O)n1C
+c1nc2c(cc(C#N)cc2)s1
+c1nc2c(cc1N)cccc2
+c1nc2c(n1C)c(OC(C3CC(NC3)=O)C)nc(Cl)c2
+c1nc2c(s1)nc(nc2Nc3ccc(OC)c(c3)OC)Cl
+c1nc2ccccc2nc1CNC
+c1nc2n(n1)cc(I)cc2Br
+c1ncc(-c2cc(Cl)c(C3=Cc4c(N(C3=O)CC)nc(Cl)nc4)cc2)nc1C
+c1ncc(-c2cc(Cl)c(C3=Cc4c(nc(SC)nc4)N(CC5CO5)C3=O)cc2)nc1C
+c1ncc(CCN)n1C
+c1ncc(Cl)nc1C
+c1ncc(I)c(Cl)n1
+c1ncc(nc1C)C(=O)O
+c1ncc2c(I)c[nH]c2n1
+c1nccn1C(n2cncc2)=S
+c1ncn(c1)CC(Cl)c2ccccc2OC
+c1ncncc1CC=2C(=O)NC(NC=2)=S
+c1nncn1-c2ccccc2C#N
+c1ocnc1
+n1(-c2ncccc2Cl)ncc3c(ncnc13)O
+n1(C)ncc(-c2cc(c(cc2)CCl)F)c1
+n1(C)ncc(c1)C#C
+n1(C)ncc(c1)C(=O)C
+n1(CC(OC)=O)c(cc2cc(OC)ccc12)C(=O)O
+n1(CC(c2c(cc(cc2)Cl)Cl)=O)nc(cc1C(=O)OCC)C(=O)OCC
+n1(c(-c2ccc(cc2F)Br)c(cn1)C(=O)OCC)C3COCC3
+n1(c(cc(C)n1)C)-c2nc(cc(n2)Cl)N
+n1(c(cc(c1Cl)C(=O)O)-c2ccnn2C)C
+n1(cc(cn1)N2N=C(C(C=C2)=O)CCl)C
+n1(ccnc1)C(n2ccnc2)=O
+n1(ncc(N)c1)CC
+n1(ncc(c1)Br)CC
+n1(nccc1)C(=N)N
+n1(ncnc1)CCl
+n1(nnnc1)-c2ccc(cn2)C(=O)OC
+n12c(c(F)c(c(C(=O)OC)c1)Nc3c(F)cc(C)cc3)ncc2
+n12c(ncc1I)cnc(c2)Br
+n12c(nnc1Cl)ccc(c2)F
+n12ccccc1c(cn2)-c3ccnc(Cl)n3
+n12ccnc1c(nc(Br)c2)Br
+n12ccnc1c(nc(C#N)c2)SC
+n12ncnc1ccc(c2)C(C([N+]([O-])=O)C)O
+n1[nH]c(c2c1cccc2)C(=O)O
+n1[nH]c2c(CNCC2)c1Nc3cccc(c3)C(=O)OC
+n1[nH]cc(Br)c1
+n1[nH]cc(C(=O)O)c1
+n1[nH]cc(c1)[N+](=O)[O-]
+n1[nH]ccc1
+n1c(-c2cc(ccc2)OC)c(ccc1)CC(OC)=O
+n1c(-c2occc2)nn3c(cc(nc13)Cl)N
+n1c(-n2ncc3c(ncnc23)O)cccc1
+n1c(Br)c(C)cc(Br)c1
+n1c(Br)c(ccc1CO)O
+n1c(Br)cn2cc(OC)ccc12
+n1c(Br)sc2cc(C(=O)O)ccc12
+n1c(Br)sc2cc(ccc12)C(=O)OCC
+n1c(C(=O)OC)c(O)c2c(cc(cc2)Oc3ccc4ccccc4c3)c1I
+n1c(C(=O)OC)c(OC)nc(c1)N
+n1c(C(CC)N)c(nc(-c2cc([N+]([O-])=O)ccc2)n1)O
+n1c(C)c(c(nc1NCCCc2c3c([nH]nc3)ccc2)C)C(=O)NC(CN)C(=O)OC
+n1c(C)c(c(nc1NCCCc2cccc(O)c2)C)C(=O)NC(CN)C(=O)OC
+n1c(C)c(c(nc1O)C)C(OCC)=O
+n1c(C)cc(C(=O)O)n1CC
+n1c(C)cc(N)n1CC
+n1c(C)ccc(C#N)c1O
+n1c(C)ccc(C)c1C#N
+n1c(C)ccc(F)c1Br
+n1c(C=O)n(cc1)C
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+n1c(CCC)nc(O)cc1CC
+n1c(Cl)c(Cl)nc2ncc(cc12)Cl
+n1c(Cl)c(c(nc1)Cl)-c2ccc(cc2)C
+n1c(Cl)c(c(nc1)Cl)-c2nc(on2)C
+n1c(Cl)c(c(nc1)Cl)N
+n1c(Cl)c(c(nc1)Cl)NC=O
+n1c(Cl)c(c(nc1)Cl)[N+]([O-])=O
+n1c(Cl)c(c(nc1Cl)Cl)Oc2ccccc2OC
+n1c(Cl)c(c(nc1Cl)Cl)[N+]([O-])=O
+n1c(Cl)c(c(nc1N)Cl)NC=O
+n1c(Cl)c(c(nc1SCc2ccccc2)Cl)[N+]([O-])=O
+n1c(Cl)c(ccc1OC)[N+]([O-])=O
+n1c(Cl)cc(nc1)Cl
+n1c(Cl)cc(nc1-c2n3c(nc2)ccc(F)c3)Cl
+n1c(Cl)cc(nc1SC)Cl
+n1c(Cl)cc(nc1SCc2c(c(F)ccc2)F)Cl
+n1c(Cl)ccnc1Cl
+n1c(Cl)cnc(C(=O)OC)c1
+n1c(Cl)nc(CCl)cc1Cl
+n1c(Cl)nc(nc1-c2ccccc2)Cl
+n1c(Cl)nc2ccccc2c1Cl
+n1c(F)c(F)ccc1
+n1c(F)c(F)ccc1F
+n1c(F)cc2cc(ccc2c1)C(=O)OC
+n1c(N)[nH]cn1
+n1c(N)c2c(ccc(OC)c2)c3ccccc13
+n1c(N)cccn1
+n1c(N)ccn1C
+n1c(N)nc(cc1N)CC
+n1c(N)nc(nc1C)N
+n1c(N)nn2cc(-c3cc(C(=O)O)ccc3)ncc12
+n1c(NN)cccc1
+n1c(Nc2cc([nH]n2)OC)c(Cl)cnc1Cl
+n1c(O)cccc1
+n1c(OC)cc(nc1N(C(O)=O)c2ccccc2)OC
+n1c(OC)ccc(C(C([N+]([O-])=O)C)O)c1
+n1c(OC)ccc(C(O)C(C)N)c1
+n1c(OC)ccc(N)c1
+n1c(OC)ccc(c1)C(=O)OC
+n1c(OCC(=O)OCC)c(Cl)cc(Cl)c1F
+n1c(SC)nccc1-c2c(-c3ccc(s3)Cl)n[nH]c2
+n1c(SC)nccc1-c2c(-c3occc3)nc(O)c(C#N)c2
+n1c(SCC2=C(C(=O)O)N3C(C(C3SC2)N)=O)scn1
+n1c([nH]cn1)C(=O)OC
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+n1c(c(NC(=O)c2ccccn2)cn1C3CCCCO3)C(=O)OC
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+n1c(c(c(N)n1CCC)C(=O)N)C
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+n1c(c(nc2ccccc12)N)C(=O)N
+n1c(c(ncc1)C#N)Cl
+n1c(c2c(C3C(C2)C3)n1-c4nccc(Br)c4)C(OCC)=O
+n1c(c2c(cccc2)c(n1)O)Cc3ccc(F)c(C(=O)O)c3
+n1c(c2c(n[nH]c2)nc1)-c3cccnc3F
+n1c(cc(-c2c(-c3nc(ncc3)SC)c4ccccn4n2)cc1)F
+n1c(cc(CC(c2nc(ccc2)C)=O)cc1)Br
+n1c(cc(CO)n1CCBr)[N+](=O)[O-]
+n1c(cc(Cl)nc1-c2occc2)-n3nccc3
+n1c(cc(c2c1cccc2)C)O
+n1c(ccc(C)n1)N
+n1c(ccc(CO)c1)F
+n1c(ccc(CO)c1)N
+n1c(ccc(N)c1)F
+n1c(ccc([N+]([O-])=O)c1Br)Br
+n1c(ccc(c1)-c2nccnc2)N
+n1c(ccc(c1)C#N)N
+n1c(ccc(c1)C(=O)OC)N
+n1c(ccc(c1)F)F
+n1c(cccc1)-n2nccc2C
+n1c(cccn1)C(=O)CBr
+n1c(cn(CC(CCc2nnc(N)s2)F)n1)C(=O)OCC
+n1c(cn(Cc2ccc3c(ccc(n3)C)c2)n1)C(=O)O
+n1c(cnc(C#N)c1)N
+n1c(n(CC)c2c1cncc2C=O)-c3c(non3)N
+n1c(n(c2c1c(ncn2)Cl)CC)C(=O)OC
+n1c(n(cc1)C)CCl
+n1c(nc(N)nc1C#N)O
+n1c(nc(c2sc3c(cccc3)c12)Cl)Cl
+n1c(nc2c([nH]cc2)c1O)N
+n1c(nc2c3c(nc(NCc4c(cc(cc4)OC)OC)n12)c(OC)ccc3)CC(C)O
+n1c(nc2ccc(Cl)nc2c1O)N
+n1c(ncc(CC(O)=O)c1OC)OC
+n1c(nn2cc(ccc12)C(=O)OC)Br
+n1c(nn2nc(ccc12)Br)N
+n1c2CCOCc2c(O)nc1CNC(C)CC
+n1c2c([nH]c1CC#N)cccc2
+n1c2c(c(cc1)O)c(ncn2)N
+n1c2c(c(nc1)O)CCNCC2
+n1c2c(c(nc1Cl)Cl)CCCC2
+n1c2c(ccc(C)c2)ccc1
+n1c2c(ccc([N+]([O-])=O)c2)ccc1
+n1c2c(ccc(c2)O)ccc1
+n1c2c(ccc1)cc(C)cc2
+n1c2c(ccc1C)cccc2
+n1c2c(ccc1Cl)cccc2
+n1c2cc(c(OC)cc2c(cc1)Cl)OC
+n1c2cc(ccc2ccc1)C(=O)OC
+n1c2ccc([N+]([O-])=O)cc2c(cc1CCC)O
+n1c2cccc(C(=O)OC)c2oc1-c3cccnc3N
+n1c2n(c(c1)[N+]([O-])=O)nc(cc2)Cl
+n1c2n(cc(CCC(=O)C)cc2)c(c1)C(=O)O
+n1c2n(nc(c2)C(=O)O)cc(Br)c1
+n1c[nH]c(c1)[N+](=O)[O-]
+n1c[nH]cc1
+n1cc(-c2ncccc2)oc1
+n1cc(Br)nc(c1Br)N
+n1cc(Br)ncc1N
+n1cc(C)c(OC)c(Br)c1
+n1cc(C)ccc1F
+n1cc(C)ncc1N
+n1cc(Cl)nc(c1)N
+n1cc(Cl)ncc1
+n1cc(I)ncc1
+n1cc(N)cc(C#N)c1
+n1cc(N)cc(F)c1
+n1cc(OC)c(OC)c(Cl)n1
+n1cc([N+]([O-])=O)c(O)c(Cl)c1
+n1cc(cc(F)c1)-c2c(C)c(Cl)c3cccnc3n2
+n1cc(cc(N)c1)Br
+n1cc(cc(c1)-c2cnco2)Br
+n1cc(cc(c1)-c2sc(Cl)nc2)Br
+n1cc(cc(c1)C(=O)OC)O
+n1cc(cc(c1)O)Br
+n1cc(ccc1)CC(C(O)=O)=O
+n1cc(ccc1F)O
+n1cc(ccc1OC)O
+n1cc(ccc1OCC(OC)=O)C(=O)C
+n1cc(cnc1)-c2c3c([nH]c2I)ncc(Cl)c3
+n1cc(cnc1)Br
+n1cc(cnc1)N
+n1cc(cnc1)NN
+n1cc(cnc1Br)Br
+n1cc(cnc1Cl)Br
+n1cc(cnc1Cl)C
+n1cc(cnc1Cl)C2CC2
+n1cc(cnc1Cl)CC
+n1cc(cnc1Cl)CCC
+n1cc(cnc1F)Br
+n1cc(cnc1I)Br
+n1cc(cnc1N)N
+n1cc(cnc1N2CCNCC2)C#CC3CC3
+n1cc(cnc1NC(=S)N)F
+n1cc(n2c1ccc(Cl)n2)Br
+n1cc2C(N)CCCc2c(Br)c1
+n1cc2c(ncc(c2)Br)cc1Cl
+n1cc2ccc(nc2c(Br)c1)C(=O)O
+n1ccc(-c2c(nc3sccn23)-c4cc(ccc4)C#N)nc1NC5CNCCC5
+n1ccc(cc1O)-c2ccc(cc2OC)F
+n1ccc(cc1O)O
+n1ccc2c(Br)ccc(Br)c2c1
+n1ccc2c(c1-c3cc([N+]([O-])=O)ccc3)nc(nc2Cl)Cl
+n1ccc2c(ccc(n2)N)c1
+n1ccc2c3c([nH]c2c1C)cccc3
+n1ccc2cccc(O)c2c1
+n1ccc2n1c(c3c(n2)CCNCC3)Cl
+n1cccc(-n2nc(Cl)cc2)c1
+n1cccc(F)c1-c2nc(c(nc2)N)C(=O)OC
+n1cccc(c1F)-c2cscc2Br
+n1cccc2CCCC(=O)c12
+n1cccc2c(Cl)cccc12
+n1cccc2c(Cl)nc(nc12)Cl
+n1cccc2c(nccc12)O
+n1cccc2c1nc(Cl)c(C)c2Cl
+n1ccccc1Br
+n1ccccc1C(O)CNC
+n1ccccc1NCCCCC(=O)O
+n1cccnc1-c2cc(ccc2)C
+n1cccnc1Br
+n1cccnc1C2CCNCC2
+n1cccnc1CCNCc2ccccc2
+n1cccnc1CN
+n1cccnc1Cl
+n1cccnc1F
+n1cccnc1NC(=S)N
+n1cccnc1S
+n1cccnc1Sc2cnc(c(c2)Oc3ccc(cc3)F)C#N
+n1ccn(-c2c(cc(c(N)c2)N)F)c1
+n1ccnc(CN)c1
+n1ccnc(c1)-c2c[nH]nc2
+n1ccnc(c1)N
+n1ccnn1-c2c(C#N)cccc2F
+n1ccnn1-c2c(C(O)=O)cccc2
+n1ccnn1-c2ccc(cc2)Br
+n1cnc(Cl)cc1C
+n1cnc(c(C#N)c1Cl)N
+n1cnc(c(c1Cl)Cl)N
+n1cnc2ccc(Cl)nc2c1Cl
+n1cnc2ccn(C)c2c1Cl
+n1cnn(c1)C(n2ncnc2)=O
+n1csc(C)c1
+n1n(-c2c(Cl)cccc2)c(C(OC)=O)cc1Br
+n1n(-c2sc(c(C)n2)C(OCC)=O)cc3CC(CCc13)N
+n1n(C)c(C(=O)O)cc1C
+n1n(C)c(C=O)nc1Br
+n1n(C)c(cc1[N+](=O)[O-])COC
+n1n(C)ccc1I
+n1n(c(C)c(Br)c1CO)C
+n1n(c2c(cc(cn2)[N+](=O)[O-])c1N)C
+n1n(c2c(ccc(c2)O)c1)CC(C)N
+n1n(c2ccccc2n1)O
+n1n(ccn1)CCCCc2ccc(cc2C)O
+n1n(cnc1)-c2ccc(C(=O)O)cc2F
+n1n(cnc1CN)C
+n1n2CCCC(c2c(c1C(=O)OC)[N+](=O)[O-])=O
+n1n2CCNCc2cc1[N+](=O)[O-]
+n1n2CCOCc2cc1[N+](=O)[O-]
+n1n2c(c(Br)cc1Cl)ncc2C(=O)O
+n1n2c(c(Br)ccc2)cc1N
+n1n2c(cc(Br)cc2)nc1N
+n1n[nH]cc1[N+](=O)[O-]
+n1nc(Br)sc1Br
+n1nc(ccc1N)Cl
+n1nc(ncc1-c2ccccc2F)O
+n1nc2c(nc(Cl)nc2N3CCOCC3C)n1CC
+n1nc[nH]c1
+n1nc[nH]c1C
+n1nccc(C(=O)O)c1N
+n1ncccc1Cl
+n1nn[nH]c1N
+n1nsc(c1C)C(=O)C
+n1onc2cc(ccc12)C(=O)O
+n1onc2cc(ccc12)O
+n1sc(c(N)c1-c2cc(C)ccc2)C(=O)OCC
+o1c(-c2cc(CBr)ccc2)ccc1Br
+o1c(-c2ccco2)nc(CCl)c1C
+o1c(Br)ccc1C=O
+o1c(C#N)ncc1C
+o1c(C)cnc1-c2c(N)n[nH]c2
+o1c(cc2c1cc(cc2OC(C)=O)C(=O)OCC)CC
+o1c2CCNCc2nc1C
+o1c2c(c(O)ncc2Br)cc1C=O
+o1c2cc(ccc2c(CC(OC)=O)c1)O
+o1c2cccc(c2c(C)c1C(=O)OCC)O
+o1nc(cc1-c2cc(ccc2)C(=O)OCC)C
+s1c(-c2c(cncc2)F)ncc1C
+s1c(C)ccc1C(=O)O
+s1c(C)ccc1C(Cl)=O
+s1c(Cl)c(c2[nH]c(cc12)C(=O)O)Cl
+s1c(NC2C(O)CCCC2)nc3ccc(C#N)cc13
+s1c(cc2CCCCc12)C(=O)O
+s1c(ccc1C(Cl)=O)Cl
+s1c(ccc1C=C)CCCC
+s1c2c(nccc2Cl)cc1-c3sccn3
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ccc(CCl)cn4
+s1cc(Br)nc1
+s1cc(CCl)nc1
+s1ccc(C(=O)CN)c1
+s1ccc(CN)c1
+s1ccc(CO)c1
+s1ccnc1
+s1ccnc1-c2ccc3c(Cl)ccnc3n2
diff --git a/releases/n1-n5-composites-inchi-v1/payload/stock/n5_targets.smi b/releases/n1-n5-composites-inchi-v1/payload/stock/n5_targets.smi
new file mode 100644
index 0000000000000000000000000000000000000000..92da030c99dd8da50a68f50e52f843a2f3a0a9b6
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/stock/n5_targets.smi
@@ -0,0 +1,9999 @@
+BrCc1ccnc(c1)C(=O)N
+Brc1c(cc(OCC)c(c1F)OCC)Br
+Brc1ccn2c(c1)nc(c2)COC
+C#CCOc1cnc(c(C)n1)C(=O)O
+C#Cc1c(N)c(c2n[nH]cc2c1)C(=O)O
+C(#CC(=O)Nc1cc2c(ncnc2cc1)Nc3cc(ccc3)Br)C(C)(CCOC)N
+C(#N)C(C#N)=C1N(CCN1CCCO)CCN2C(CCC2)C
+C(#N)c1ccccc1-c2c(ccc(-c3c4ccc(-c5nccs5)nc4ncc3)c2)F
+C(=C)CON1C(N2CC1C=C(C2C(=O)N)C)=O
+C(=C)CON1C(N2CC1C=C(C2CO)C)=O
+C(=O)(C(C)Cc1cc2cc(ccc2[nH]1)OCCCNc3ncccc3)O
+C(=O)(C)c1oc2cc(C(=O)O)ccc2c1
+C(=O)(C1CN(C(=O)Cc2cccs2)CCC1)NCC
+C(=O)(CN1C(=O)C(N)CCc2ccc(OC)cc12)O
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+C(O)CN(CCO)CCCCc1ccc2c(nsc2c1)-c3ccc(cc3)Cl
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+C(OC(=O)CC1OB(c2c1c(Cl)cc(OC)c2)O)C
+C(OC(=O)Nc1cc(c(N)cc1)O)C
+C(OC(=O)Nc1ccc2C(C)=NCCc2c1)C
+C(OC(CC(c1c(c(c(c(c1)C)F)[N+]([O-])=O)Cl)=O)=O)C
+C(OC(CC(c1ccc(Br)c(C)c1F)=O)=O)C
+C(OC(CC1c2c(cc(cc2)OCCCN(CCC)c3c(C)cnc(Cl)n3)CC1)=O)C
+C(OC(CC1c2c(cc(cc2)OCCc3nc(Cl)ccc3)CC1)=O)C
+C(OC(CCc1ccc(Br)n1-c2ccc(C#N)cc2C)=O)C
+C(OC(CCc1ccc2c(c1)CC(CCC2)=O)=O)C
+C(OC(OCC)C(C)N(Cc1c2ncccc2ccc1)C(C(NC(CN(NC(NCc3ccc(cc3)Cl)=O)C)=O)C)=O)C
+C(OC(OCC)c1ncc(C(=O)NCc2ccccn2)c(C)n1)C
+C(OC)(=O)C(C(OC)=O)(CNS(=O)(=O)c1ccc(cc1)OCC#CC)N2CCN(CC2)S(=O)(=O)C
+C(OC)(Cn1c(Cl)nc(c1)[N+](=O)[O-])CN
+C(OC)C(COC)(C(OC)=O)c1cc(c(O)c(c1)Br)C=O
+C(OC)C1CCC(C(OC)=O)CN1
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+C(OC)CCOc1c(OC)cc(C)c(c1)C(=O)O
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+C(OCC)(Oc1cc(C)c2c(B(OC2CC(=O)O)O)c1)=O
+C(OCCO)C1CC(SC(=O)C)CN1C(OCC=C)=O
+C(OCCOCC)Cn1ccc2c3c(C(NC3=O)=O)c(cc12)-c4ccccc4Cl
+C(OCCOCCS(=O)c1cc(cc(N)c1)OC)COC
+C(OCCON=C(C(=O)NC1C(N2C1SCC=C2C(=O)O)=O)c3csc(N)n3)C
+C(OCOc1cccc(c1)C#C)COC
+C(OCc1c(ccc(CBr)c1)Br)OC
+C(OCn1c(-n2ncc(C(=O)OCC)c2)nc3c(Cl)cccc13)COC
+C(OCn1cnc2c1cc(Cl)c(c2)Sc3cc(C)ccc3)COC
+C(ON=C(C(=O)NC1C(N2C1SCC=C2C(=O)O)=O)c3csc(N)n3)c4ccon4
+C(OP(OCC)(=O)Cc1cc(c(c([N+](=O)[O-])c1F)OC)Cl)C
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+C(OP(OCC)(Cc1cc(ncc1)C(N)=O)=O)C
+C(Oc1cc(CCN)ccc1OCCCCCC)CCCCC
+C(Oc1ccc(c(c1C#N)NCc2c(F)ccc(c2)-c3cc(ccc3)F)F)C(=O)O
+C(Oc1ccc(c(c1C)NCc2c(F)ccc(c2)-c3cc(ccc3)F)F)C(=O)O
+C(Oc1ccc(c(c1F)NCc2cc(-c3cc(ccc3)F)cc(F)c2C)F)C(=O)O
+C(Oc1cccc(CO)c1)CCN
+C(Oc1nc(CO)ccc1)CCC
+C(c1c(C)nc(Cl)nc1)(=O)Cl
+C(c1c(CC#N)c(Cl)ccc1)(=O)OC
+C(c1c(OCC#C)cccc1F)CC
+C(c1c(cc(Cl)c(OC)c1N)Cl)(O)=O
+C(c1c(cccc1Cl)OC)C(=O)O
+C(c1c2c(ccc1OCCF)C=C(C(=O)O2)C(=O)O)CC
+C(c1c[nH]c2ncccc12)n3nnc4c3nc(-c5cnn(C)c5)cn4
+C(c1cc(Br)c(O)c(C(=O)C)c1)C(=O)O
+C(c1cc(C)c(CNC(N2CC(N(c3cccc(F)c23)CCNC)=O)=O)cc1)(N4c5c(cccc5)CCCC4)=O
+C(c1cc(Cc2ccc3c(cc(cn3)C#N)c2)ncc1)(=O)O
+C(c1cc(Cl)c2c(nccc2)c1N3CC(CC3)F)(N)C
+C(c1cc(Cl)c2c(nccc2)c1N3CC(CC3)O)(N)C
+C(c1cc(cc(CC)c1OCCCCOCC(OCC)OCC)O)C
+C(c1cc(ccc1)OCC)C(=O)O
+C(c1cc2sc(NC(NCC)=O)nc2cc1)(=O)O
+C(c1ccc(CN)cc1C)CC(OC)=O
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(NCC(=O)O)=O)#N
+C(c1ccc(c2ccccc12)-n3c(Br)cnc3SCC(NCCC(=O)OCC)=O)#N
+C(c1ccc2CCCN(c2c1)CCOC)n3ncc(C(=O)O)c3
+C(c1ccc2[nH]nnc2c1C)(=O)OC
+C(c1ccc2c(cc(C)n2C)c1)n3ncc(C(=O)O)c3
+C(c1ccc2c(ccc(n2)C)c1)N
+C(c1ccc2c(nccc2)c1)N
+C(c1ccc2occc2c1)N
+C(c1cccc(F)c1)C(CNC)N2Cc3c(ccc(-c4n(C)ncc4Cl)c3)C2=O
+C(c1cccc(OC)c1)(c2ccc3c(cc(CCN4C(CCC4)C)o3)c2)=O
+C(c1cccc(n1)N)CS
+C(c1cccc2c1c(C)ccc2)n3c(nc4ccccc34)SCCCC(=O)O
+C(c1cccc2ccsc12)Br
+C(c1ccccc1Br)n2cncc2CCCCl
+C(c1cccs1)CNC(c2c3c(n(CCOC)c2)cccc3Cl)=O
+C(c1csc2cc(Cl)c(F)cc12)Br
+C(c1ncccc1)CCCCCl
+C(c1sc(cc1)CCCCCC)(=O)O
+C(n1c(-c2c(ccc3[nH]ncc23)C)nc(c1Cl)Cl)CCC
+C(n1c2c(c(I)n1)cnc(C)n2)c3cccc(F)c3F
+C1(=C(C#N)C(C(=C(C)N1)C#N)c2ccc3n[nH]c(NS(=O)(=O)CCC)c3c2)C
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+C1(=NO)c2c3ccc(cc3n(c2CCC1)C)Br
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+C1(=O)CCC(=O)N1OC(CCC2(OCCO2)C)=O
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+C1(OC)C(CCNC1)N=[N+]=[N-]
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+C12CC(=O)N(C)CC1CC(C2)NC
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+C1=CC=C(C(=S)N1CCCC)O
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+C1=CN(c2cccc(c2)F)C(=O)n3cc(nc13)CCl
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+C1C(=O)N(C(CC1c2cc(c(cc2)NC(=O)c3nc(c[nH]3)C#N)C4=CCCCC4)=O)C
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+C1C(C(=O)OCC)CCCN1c2ccc(Cl)c(-c3nc4c([nH]3)cccc4)c2
+C1C(C(CN(C1)c2cc(OC)cc(c2)C(=O)OC)OC)NC(c3nc(Cl)c(CC)[nH]3)=O
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+C1C(C(OC)=O)N(c2nc(ncc2)-c3cnc4ccc(cn34)F)CC1
+C1C(C(c2cc(cc(C)c12)F)=O)=NO
+C1C(C)N(C(CN1c2ccc(c(NS(=O)(=O)c3ccc(cc3)-c4cccs4)c2)OC)C)C
+C1C(C)NC(CN1c2ccc(OC)c(NS(=O)(=O)c3ccc(-c4ccc(C)o4)cc3Cl)c2)C
+C1C(C)OC(CN1Cc2nnc(-c3cc(cc4c3cnn4S(=O)(=O)c5ccc(cc5)C)Br)o2)C
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+C1C(CC1)(O)c2sc(cn2)-c3cc(cc(c3)Nc4nc(-c5cnn(c5)CC(C)(C)O)ccn4)C
+C1C(CC1)CN2C3=C(C=C(c4cc(ccc4)Cl)C2=O)CN(S(=O)(=O)C)CC3
+C1C(CC1)N(CCCc2c3cc(F)ccc3[nH]c2)C4Cc5c(ccc(F)c5OC4)C(N)=O
+C1C(CC1)N2C(=O)Cc3cc(NCC(O)C(OC)=O)ccc23
+C1C(CC1)N2CCC3(CCN(CC3)S(=O)(=O)c4ccc(cc4)C(=O)C)CC2
+C1C(CC1)N2CCc3c(CC2)cc(Oc4ncc(nc4)N5CCCC5=O)cc3
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+C1C(CC1)N2CCc3c(cc(cc3)Oc4cnc(nc4)C#N)CC2
+C1C(CC1)N2CCc3cc(NC(=O)c4ccc(-c5cnccn5)cn4)ccc3CC2
+C1C(CC1)N2CCc3cc(Nc4ccc(N5C(=O)CCC5)cn4)ccc3CC2
+C1C(CC1)N2CCc3ccc(OCc4c(F)cc(F)cc4)cc3CC2
+C1C(CC1)N2CCc3ccc(cc3CC2)Oc4ccc(C(NC)=O)cc4OC
+C1C(CC1)N2CCc3nc(C4CCN(CC4)C(=O)N5CCCC5)sc3CC2
+C1C(CC1)OC(N2CCC(CC2)N(C)Cc3ccc(nc3)-c4ccc(cc4)S(=O)(=O)C)=O
+C1C(CC1)Oc2cc(-c3[nH]c4c(c(O)nnc4)c3Cl)ccc2OC
+C1C(CC1)c2c(OC)c(c(cc2)-c3cnc(N)c(C#N)n3)F
+C1C(CC1)c2cc3nnc(-c4ccccc4)n3nc2N
+C1C(CC1)c2nc3c(N(CCCCC)C(NC3=O)=S)[nH]2
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+C1CC(CCO1)NC(=O)c2c3c(cc(C(C)N)n2)cccc3Cl
+C1CC(CCO1)NC(=O)c2c[nH]nc2-c3sc4c(CCCC4)n3
+C1CC(CCO1)NC(c2cnc(OCc3c(noc3C)-c4ccccc4F)cc2)=O
+C1CC(CCO1)NCCCCN2C(Nc3c(nc(nc23)OC(CCC)C)N)=O
+C1CC(CCO1)Nc2c(-c3c(Cl)cncc3)cnc(n2)N
+C1CC(CCO1)Nc2c(c(nc3c2cnn3CC)CC)CNC(=O)CC(NCc4cc(Br)c(cc4)F)=O
+C1CC(CCO1)Nc2c(c(nc3n(CC)ncc23)CC)CNC(c4nc(C(NCc5ccc(c(c5)Br)OC)=O)ccc4)=O
+C1CC(CCO1)Nc2c3c(n(CC)nc3)nc(CC)c2CNC(=O)CCC(=O)NCc4cc(Br)c(cc4)Cl
+C1CC(CCO1)Nc2cc(ccc2C#N)-n3c(c(C#N)c(n3)C)N
+C1CC(CCO1)Nc2ccc(F)c(C3(NC(COCC3F)=N)C)c2
+C1CC(CCO1)Oc2c3[nH]c(cc3cc(c2)Oc4ccc(S(=O)(=O)C)nc4)C5=NCC(CC(NCC6(COC6)C)=O)S5
+C1CC(CCO1)Oc2cc(ccc2Nc3c4c(C)c(sc4ncn3)C(NCCCCN(C)C)=O)F
+C1CC(CCO1)Oc2ccc(cc2)C(=O)c3ccc(cc3)[N+]([O-])=O
+C1CC(CCO1)Oc2ccc(cc2)S(=O)(=O)Cl
+C1CC(CCO1)Oc2ncnc3ccc(-c4cncc(NS(=O)(=O)c5c(Cl)cc(cc5)Br)c4)nc23
+C1CC(CCO1)c2c3sc(NC(=O)N4CCOCC4)nc3c(OC)cc2
+C1CC(CCO1)c2cc(F)c(c(F)c2)-c3nc(C(OC)=O)ccc3F
+C1CC(CCO1)c2cc(ncc2)N3CC(C3)c4[nH]c5c(cc(Cl)cc5)n4
+C1CC(CCO1)c2ccc(c(Cl)c2)O
+C1CC(CCO1)c2ccc(cc2)Oc3c4CCC(c4c(cc3)F)Oc5ccc6c(c5)OCC6CC(OC)=O
+C1CC(CCO1)n2c3ccc(cc3nc2C)-c4nc5cc(Cl)ccc5o4
+C1CC(CCO1)n2nc(c3c(nccc23)O)-c4csc(C(N)=O)c4
+C1CC(CCS1)N(c2c(c(cc(Br)c2)C(=O)OC)C)CC
+C1CC(CN2C(c3c(cnc(F)c3)CCC12)=O)C(Cl)=O
+C1CC(CN2CCCC2=O)Cc3[nH]c4c(c13)c(ccc4C(=O)N)Br
+C1CC(F)(F)CCC1Cn2c3c(cc(cc3)NC(=O)C)nc2C(F)(F)C
+C1CC(c2c1c(N)c(N)cc2)=O
+C1CC(c2ccc(C#N)c(c12)Br)=O
+C1CC(c2cccc(Cl)c12)N3C(N(c4cc5c(N(C(S5)=O)C)cc4)C=C(c6nnn[nH]6)C3=O)=O
+C1CC1(C#N)NC(=O)C2N(CC(S(=O)(=O)c3ccccc3Cl)C2)C(=O)C4(CC4)N5CCN(CC5)CC
+C1CC1(C#N)c2c(F)cc3c(OCO3)c2
+C1CC1(C#N)c2c(c(ccc2)C(=O)Nc3cccc(Oc4cc5sc(NC(C)=O)nc5cc4)c3)Cl
+C1CC1(C(=O)N)NC(=O)c2cccc(N)c2
+C1CC1(C(=O)O)c2ccc3ocnc3c2
+C1CC1(C(=O)OC)c2ccc(cc2)-c3ccc(c(OC)c3)-n4nnc(c4NC(OC(C)c5ccccc5)=O)C
+C1CC1(C(N)=O)c2onc(n2)-c3cc(c(C4CC4)cn3)OCC5CC5
+C1CC1(C(OC)=O)c2cc(O)c(cc2)O
+C1CC1(CCN2c3ccccc3C(C)(C)OC2=O)NCC(c4c5OCC(Nc5c(O)cc4)=O)O
+C1CC1(CNC(c2c(nccc2)Cl)=O)c3c(nc(cc3)Cl)Cl
+C1CC1(NC(=O)c2cnc(N3C(=O)C(C=N3)c4ccc(C#N)cc4OC)cc2)CCOC
+C1CC1(NC(=O)c2nc(-c3cccnc3)c4N(Cc5ccccc5)C(C(=Cc4c2O)c6ccccc6)=O)C(=O)O
+C1CC1(NC(C(NC(N2CCC3(CC3)CC2)=O)CC(F)(F)C)=O)C#N
+C1CC1(NC(C2CCCCC2c3nc(sc3-c4ccc(cc4)N5CCS(=O)(=O)CC5)N6CCC(F)(F)CC6)=O)C#N
+C1CC1(Nc2cccc(C3CC(C)(C)c4c(c(cc(C#N)c4)C)N3)c2)C(=O)O
+C1CC1(Nc2nc3c(nc2C)cccc3Br)C
+C1CC1(Sc2cc(N=C3SC(N4N3CCCC4)=O)c(F)cc2Cl)C(=O)OC
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4cc(c(C)c(-c5ccc(O)nc5)n4)C)=O
+C1CC1(c2cc3OC(F)(F)Oc3cc2)C(Nc4nc(c(c(C)c4)C)-c5cc(c(nc5)O)C)=O
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4cc5cc([nH]c5cc4)C(C(OCC)=O)C
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4cccc(-c5ccc(cc5)S(=O)(=O)NC)c4
+C1CC1(c2ccc(cc2)-c3ccc(cc3)-c4sc(Cl)cc4NC(=O)OC(C)c5c(cc(cc5)F)F)C(O)=O
+C1CC1(c2ccc(cc2)-c3ccc(cc3)-c4sc(F)cc4NC(OC(c5ccccc5C)C)=O)C(O)=O
+C1CC1(c2ccccc2CCc3c(cnc(Nc4cnc(C(N)C)cc4)n3)Cl)C(N)=O
+C1CC1(c2ccnc3c2cccc3)C(=O)N4CCC5(OC(=O)c6c5ccnc6F)C4
+C1CC1(c2cnc3ncc(cn23)-c4ccc(cc4)OCC(N5CCCC5)=O)c6cc7cccnc7cc6
+C1CC1(c2nnc3CC(CO)(SCCn23)C)c4ccc(cc4)-c5ccc(C#N)cn5
+C1CC12C(CN(C(=O)CCN3C(=O)C(C)N(CC3)C(=O)C=Cc4cc(Cl)c(cc4)F)CC2)O
+C1CC12C3(NC(=N)C(C)=N3)c4cc(ccc4CC2)-c5cc(C#N)cc(F)c5
+C1CC12CCC(COS(=O)(=O)C)N2C
+C1CC12CN(c3c2c(C)nc(n3)-c4ccc(OC)c(c4)F)c5cc(OCC(=O)N(C)C)ccc5
+C1CC12CNCCN(C2)c3c(cnn3C)[N+]([O-])=O
+C1CC12COc3c(ccc(Oc4ccc(cn4)NC(=O)C(N)CC)c23)C
+C1CC12c3c(c(F)cc(c3)-c4ccc(C#N)n4C)NC2=O
+C1CC12c3ccncc3N(Cc4cc5c(c(cc(Cl)c5)F)n4CCC(O)=O)C2=O
+C1CC12c3ccncc3N(Cc4nc5c(c(cc(c5)Cl)F)n4C6CCS(=O)(=O)C6)C2=O
+C1CC1C#Cc2cnc(nc2)N3CCN(CC3)c4nc(ncn4)Nc5cn(nc5)CC6CNCCO6
+C1CC1C(=O)N(Cc2ccccc2)CCn3c4ncnc(N)c4c(-c5cc(cc(O)c5)F)n3
+C1CC1C(=O)N2C(C)CCc3c(OC4CCC4)c(ccc23)-c5c(NC(C)=O)n(C6CC6)nc5
+C1CC1C(=O)N2CCC(C2)CNC(=O)CC(=O)C
+C1CC1C(=O)N2c3c(CCC2C)c(Oc4ccccc4)c(cc3)-n5ncc(Br)c5
+C1CC1C(=O)NC2c3c(c(-c4ccc5N(C)C(=O)CCc5c4)cnc3)CCC2
+C1CC1C(=O)NCCCc2c3CCOc3ccc2Br
+C1CC1C(=O)Nc2nc3n(n2)cc(cc3)Oc4cc(c(cc4)C)NC(=O)c5c(C)sc(C)n5
+C1CC1C(=O)Nc2nn3c(ccc(c3)Oc4cc(C)cc(c4)NC(=O)c5n(nc(C)c5)C)n2
+C1CC1C(=O)c2c(Nc3ccc(nc3)NCCN(C)C)c4cc(ccc4nc2)-c5cc(Cl)c(O)c(F)c5
+C1CC1C(=O)c2cc3c4c(ccc3cc2)ccc(c4)Cl
+C1CC1C(=O)c2cnc3c(c2NC4CCC(CC4)CN(C)CCO)cc(cc3)Br
+C1CC1C(C)n2ncc(-c3nc(cc4nccn34)-c5cnn(C)c5)c2
+C1CC1C(C2CC2)(O)C#Cc3ccc(cc3)C(NS(=O)(=O)c4c(cccc4)S(=O)(=O)N)=O
+C1CC1C(CC#N)n2cc(cn2)-c3nc(cc4n3c(cn4)Cl)-c5cn(C)nc5
+C1CC1C(N2CC(CC2)CC(=O)NNC(Nc3ccc(c(F)c3F)Br)=O)=O
+C1CC1C(N2CC(CC2)Nc3c4c(n(CC)c(C(=O)OC)n4)ncn3)=O
+C1CC1C(N2CC(CC3=NNC(=O)N3c4cc(F)c(-c5ccc6occc6c5)cc4F)CC2)=O
+C1CC1C(NCCCn2c3ncnc(N)c3nc2Sc4cc(Cl)cc(c4)Cl)C
+C1CC1C(NCc2ccc(c(N3NC(=NC3=O)c4c(cc(cc4)Cl)F)c2)Cl)=O
+C1CC1C(NS(=O)(=O)CC)c2cc(-c3cc4ccc(cc4cc3)C#N)cnc2
+C1CC1C(Nc2c(cnn3cc(cc23)-c4cc(ccc4)C=C)C(=O)N)C
+C1CC1C(Nc2cc(-c3nn(C)c(OC(F)F)c3Cl)ccc2Cl)=O
+C1CC1C(Nc2ccccc2Oc3nc(Cl)ncc3Cl)=O
+C1CC1C(Nc2nc3n(nc(Oc4cc(NC(c5cc(C)nn5CCOC)=O)c(cc4)F)cc3)c2)=O
+C1CC1C(Nc2nc3n(nc(Oc4cc(NC(c5sc(C)nc5OC)=O)c(cc4)F)cc3)c2)=O
+C1CC1C(Nc2nc3n(nc(Oc4ccc(Cl)c(NCc5cc(C)nn5C)c4)cc3)c2)=O
+C1CC1C(Nc2ncc3cc(-c4cc(ccc4C)NC(N5CCOC(CO)C5)=O)ccc3c2)=O
+C1CC1C(c2cccc(Br)c2OCc3ccccc3)C
+C1CC1C2(C(N(c3ccnc(Nc4ncc(cc4)C=5NC(ON=5)=O)c3)CC2)=O)C#N
+C1CC1C2(c3c(ccc(c3)NC(=O)c4ccc(cn4)Cl)F)NC(=N)COC2
+C1CC1C2N(c3ccc(cc3C(C2C)Nc4cccc(n4)C)-c5cn(nc5)CCOC)C(=O)C
+C1CC1C=2C(=C3N(C(=O)C=2CCCC)c4ccccc4N3)C#N
+C1CC1C=2Cc3c(Cl)cccc3C=2
+C1CC1CC(C#N)c2cnc(cc2)C(C)(C)O
+C1CC1CC(NNc2c(c(OCc3ccccc3)ccn2)C#N)=O
+C1CC1CCN2C(C(c3c2cccc3)(c4c(cc5OCOc5c4)O)CO)=O
+C1CC1CCOc2cc3c(cc2)ccc4ccc(cc34)CC(C)(C)O
+C1CC1CCOc2nc3n(CCCC4CCOC4)c(OC)nc3c(n2)N
+C1CC1CN(C(N(N=O)CCCl)=O)C2OC(CO)C(C(O)C2O)O
+C1CC1CN(CC(Nc2ccc(cc2F)-c3c(S(=O)(=O)C)cccc3)=O)C(Nc4ccc(cc4)Cl)=O
+C1CC1CN(CC2CC2)CCn3ccc4c3ccc(C#Cc5ncc(cc5)-c6ccc(cc6)Cl)c4
+C1CC1CN2C(=O)N(c3nc(c(C(NCc4ccccc4)=O)s3)C)CC2
+C1CC1CN2C(=O)c3c(C(CO)=C2)cc(-c4c(ccc(C(NC5CC5)=O)c4)C)cc3
+C1CC1CN2C(NC(=O)C=C2NN=Cc3ccnc4ccc(cc34)Cl)=O
+C1CC1CN2C3Cc4ccc(OCC)cc4C5(CC2)COCCC35
+C1CC1CN2CC(CC2)COS(=O)(=O)C
+C1CC1CN2CC(c3cccc(OC)c3)=CCC2
+C1CC1CN2CCC34C5(C2Cc6c3c(OC4C(OCc7ccc(cc7)OC)CC5)c(cc6)OCc8ccccc8)O
+C1CC1CN2CCN(CC2)CC(CN)OC
+C1CC1CN2CCN(CC2)c3c(OC)ccc(N)c3
+C1CC1CN2c3nn(c(-c4n(C)cc(c4)C(NC)=O)c3C(=O)N(C)C2=O)Cc5c[nH]c6ccc(cc56)C
+C1CC1CNC(=O)c2cc(NN)ccc2
+C1CC1CNCCN2C(=O)N3C(C)(C2=O)Cc4c([nH]c5ccc(OC)cc45)C3c6cc(ccc6)O
+C1CC1CNc2c(cnc(N)n2)I
+C1CC1CNc2cc(ccn2)-c3cccc(n3)C(Nc4c(C(N)=O)nn(C)c4)=O
+C1CC1CNc2nc(nc3n(cnc23)C)NC(CO)CC
+C1CC1CNc2nccc3c2nc(nc3)Nc4ccc(cc4C)-c5cn(nc5)C
+C1CC1COc2c(C=NOC)ccc(c2)C(O)=O
+C1CC1COc2c(Cl)cc(cn2)C(=O)O
+C1CC1COc2c(nc(cc2)C(NC3(COC3)CC(N)=O)=O)Cl
+C1CC1COc2cc(F)c(c(c2)F)-c3c(C(=O)c4ccc(cc4Cl)F)c(nn3C)C
+C1CC1COc2cc(Sc3ccc(OCC(=O)O)c(C)c3)cc(C#CCN4CCOCC4)c2
+C1CC1COc2cc3C=CN(C(=O)c3cc2)c4cc(c(N5CC6(CCN(CCF)C6)CC5)cc4)F
+C1CC1COc2cc3c(nc(c(CO)c3)NCCNC(C)=O)cc2
+C1CC1COc2cc3oc(N4CCC(CC4)OCC(C)NC(=O)NCC)nc3cc2
+C1CC1COc2ccc(S(=O)(=O)CC)cc2C3=CN(C(C(=C3)OC(F)F)=O)C
+C1CC1COc2ccc(cc2)C(CN3C(=O)c4c(N(Cc5ccc(cc5)-c6c(C#N)cccc6)C3=O)sc(c4)CC)=O
+C1CC1COc2nc(ccc2N3CC(F)(F)C3)C(=O)NC(CC)(CC)C(N4CC(C4)(F)F)=O
+C1CC1COc2nccc(c2)OC3CN(C3)c4ccc(cc4)C(NC(C)=O)C
+C1CC1Cn2c(cc3cccnc23)-c4n(c5c(cc(cc5OC)C(N6CC(CCC6)N)=O)n4)C
+C1CC1Cn2c3c(c(Nc4cc(C(O)=O)ccc4)n2)CN(CC3)C(=O)C
+C1CC1N(C(=O)C)Cc2nc(ncc2)NC(C)c3cc4cc(ccc4nc3O)Cl
+C1CC1N(C(c2ccc(cc2)-c3ocnc3C)=O)C4CCN(CC4)c5nc(no5)C(C)C
+C1CC1N(C2CCN(CC2)c3ncc(cn3)Cl)C(=O)c4ccc(cc4)-n5ncnc5C
+C1CC1N(c2cc(ccc2)NC(c3cc(C(C)(C)C#N)ccc3)=O)c4nc5c(nc(s5)NC(C)=O)cn4
+C1CC1N2C(=O)COC3(CCN(CC3)C(C)c4c(F)cc(-c5ccc(cc5)OC)cc4)C2
+C1CC1N2C(=O)COC3(CCN(CC3)C(C)c4ccc(cc4)-c5ccc6cccnc6c5)C2
+C1CC1N2C(=O)COC3(CCN(CC3)C(CC(N)=O)c4ccc(cc4)-c5ccc6cccnc6c5)C2
+C1CC1N2C(=O)N(Cc3ccc(c(Br)c3)C(F)(F)P(O)(O)=O)C(c4ccc(cc4)S(=O)(=O)C)=C2
+C1CC1N2C(c3c(Cl)cccc3N=C2C(C)Nc4c(-c5noc(n5)C)c(ncn4)N)=O
+C1CC1N2C=C(C(OCC=C)=O)C(c3cc(F)c(c(c23)OC)N4CCNC(C4)C)=O
+C1CC1N2C=C(C(c3c2cc(c(F)c3)N4CC(CCC4)(O)CNCC)=O)C(=O)O
+C1CC1N2C=C(C(c3cc(F)c(N4CC(c5ccco5)N(C)CC4)cc23)=O)C(=O)O
+C1CC1N2CCc3c(CC2)ccc(Nc4nc(c(cn4)F)NC5CCCN(C(C=C)=O)C5)c3
+C1CC1N2CCn3c(C2)cc(NC4=CC(=CN(C4=O)C)Br)n3
+C1CC1N2Cc3c(cccc3)NC2=O
+C1CC1N2c3c(c(N4CCNC(C4)C)c(F)c(N)c3C(C(C(O)=O)=C2)=O)OC(F)F
+C1CC1N2c3cc(c(c(C)c3C(C(C(=O)O)=C2)=O)F)N4CC(NCC4)C
+C1CC1NC(=O)Nc2c(Cl)cc(cc2)Oc3c4c(cc(c(C(=O)NCCOC)c4)OCCOC)ncc3
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ccc(CN6CCOCC6=O)cn5)s4)ncc3
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ccc(cn5)CN(C(C)COC)C(=O)C)s4)ncc3
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ccc(cn5)CN(C(OC)=O)CCOC)s4)ncc3
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(CCN6C(CCC6)=O)cc5)s4)ncc3
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncc(cc5)CN6CCN(CC6)C(CNC)=O)s4)ncc3
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(-c5ncn(c5)CCN6CCN(CC6)C)s4)ncc3
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(cc(s4)-c5cn(CCN6CCCC6)nn5)ncc3
+C1CC1NC(=O)Nc2ccc(C)c(C3=Cc4cnn(-c5c(F)cccc5F)c4N(C3=O)C)c2
+C1CC1NC(=O)Nc2cccc(c2)C(=O)c3c4c(ncnc4N)n(C5CCCC5)c3
+C1CC1NC(=O)c2cc(c(c(c2)N3C=CNC(=NC(C)(C)c4c(SCCNCCO)cccc4)C3=O)C)F
+C1CC1NC(=O)c2ccc(C)c(-c3cc4cnnc(C#N)c4cc3)c2
+C1CC1NC(=O)c2ccc(c(c2)-c3cc4cnnc(N5CC6COC(=O)N6CC5)c4cc3)C
+C1CC1NC(=O)c2cnc(N3CCN(CC3)Cc4cc5NC(=O)C6CCCN6c5nc4)cc2
+C1CC1NC(=O)c2n[nH]c3CCN(Cc23)c4c5cc(c(cc5nnc4)CC)OC
+C1CC1NC(C=2C(c3cccnc3N(c4cc(C#Cc5ccc[n+]([O-])c5)ccc4)N=2)=O)=O
+C1CC1NC(Nc2ccc(cc2)-c3nc(CN(C)C)cc(N4C5COCC4CC5)n3)=O
+C1CC1NC(Nc2ccc(cc2)-c3nc(N4C(COCC4)C)c5CN(C(=O)CCNC(N)=O)Cc5n3)=O
+C1CC1NC(Nc2ccc(cc2)-c3nc4N5CCOCC5(C)C(=O)N(C6CCS(CC6)(=O)=O)c4cn3)=O
+C1CC1NC(Nc2ccc(cc2)Oc3ccnc(NC(CCC)=O)c3)=O
+C1CC1NC(c2cc(-c3cc4C(=CN(CC5CC5)C(c4cc3)=O)CN6CCNC(C)C6)c(c(F)c2)C)=O
+C1CC1NC(c2cc(N3C(C(NC=C3)=NC4(CC4)c5ccccc5OCCNCC(O)C)=O)c(C)cc2)=O
+C1CC1NC(c2ccc(Cn3c(c(c(n3)C)-c4cc(c(C#N)cc4)Cl)C)cn2)=O
+C1CC1NC(c2ccc(c(N3C(c4c(ccc(OCCN5CCCOCC5)c4)N=C3)=O)c2)C)=O
+C1CC1NC(c2sc3nc(c(c(C)c3c2N)Cl)OCC)=O
+C1CC1NCc2c(Cl)ccc(CCNC(=O)OC)c2
+C1CC1NCc2c(ccc(c2)CNC(=O)CC)Cl
+C1CC1NS(=O)(=O)c2c(ccc(NC(=O)Nc3c(Cl)c(ccc3)Cl)c2O)Cl
+C1CC1NS(=O)(=O)c2ccc(cc2)-c3cc(-c4ccc5c(C(C)(C)CNC5=O)c4)c(N)nc3
+C1CC1NS(=O)(=O)c2ccc(cc2)-c3cc(-c4ccc5c(NCC(C)NC5=O)c4)c(nc3)N
+C1CC1Nc2[nH]c3c(c(Br)c(Cl)c(Cl)c3)n2
+C1CC1Nc2c(F)c(N3CCN(CC3)C)c(c(F)c2[N+]([O-])=O)F
+C1CC1Nc2c3ncc(n3nc(Nc4cc(C#N)cc(C(CCO)C)c4Cl)n2)C#N
+C1CC1Nc2cc(nc3c(cnn23)C=C4NC(=O)NC4=O)SC
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+C1CCC(C1)Nc2cccc3c(c(-c4ccc(cc4)F)nn23)-c5cc(ncc5)NC6CCCC6
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+C1CCC(C1)Nc2nc(N3CCNCC3)cc(n2)NC4CCCC4
+C1CCC(C1)Nc2nccc3n2nc(-c4cc(Cl)ccc4)c3-c5nc(NC6CCCC6)ncc5
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+C1CCC(C1)c2ccccc2N=C=S
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+C1CCC(C1)n2c(-c3ccc(cc3N)Br)ccn2
+C1CCC(C1)n2c3c(cnc(Nc4ncc(N5CCC(CC5)CO)cc4)n3)c6ccnc(c26)F
+C1CCC(C1)n2cnc3c(nc(N4CC(CCC4)O)nc23)Nc5ccc6CCCc6c5
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+C1CCCC(n2c(Br)nc3c(nc(OCCCC)nc23)N)O1
+C1CCCC(n2c(OC)nc3c(nc(OC(CCC)C)nc23)N)O1
+C1CCCC(n2c3ccc(C#CC=O)cc3cn2)O1
+C1CCCC(n2c3ccc(cc3c(C=O)n2)OCCOC)O1
+C1CCCC(n2cc(-c3cc4c(cc3)n(cc4)CC5CNCC5)cn2)O1
+C1CCCC(n2cnc(-c3sc(-c4ccnc(NC(OC)=O)c4)c(C#N)c3Br)n2)O1
+C1CCCC1(O)c2c(cncc2)N3C(N(c4cc(ncc4)Cl)CC3)=O
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+C1CCCC1(c2cc(c(N)c(c2)OCC3CC3)Br)C(=O)OCC
+C1CCCC1(c2ccc(cc2)Cc3ccccc3OCc4ccccc4)O
+C1CCCC12C(CN(C(CC#N)=O)C2)Nc3nc(Nc4cn(C)nc4)ncc3C
+C1CCCC12CC(c3cc(OC)ccc23)=O
+C1CCCC1C(c2ccc(cc2)CN3Cc4c(cc(F)c(F)c4)C3=O)C(=O)O
+C1CCCC1C(c2ccc(cc2)Cl)C(=O)Nc3cc(ccc3)CC4(CC4)C(=O)O
+C1CCCC1CC#Cc2cc(C(=O)NC(CO)Cc3c[nH]c4ccccc34)c(OC(C)C)cc2
+C1CCCC1CC(=O)Nc2cnc3n(ccc3c2NC4CCN(CC4)S(=O)(=O)C)S(=O)(=O)c5ccccc5
+C1CCCC1CC(C(=O)NNc2nc(nc(N3CCN(CC3)C)c2F)CC)CN(O)C=O
+C1CCCC1CC(C(=O)Nc2nc3ccccc3cc2)c4cc(C#N)c(cc4)S(=O)(=O)C
+C1CCCC1CC(C(=O)Nc2nn(cc2)CC(C)(C)O)N3N=CC(=CC3=O)Oc4ccc(cc4)OC
+C1CCCC1CC(C(NC(=O)NCCCl)=O)c2ccc(c(c2)Cl)Cl
+C1CCCC1CC(C(OC)=O)O
+C1CCCC1CNc2c(N)cc(cc2)N(C)S(=O)(=O)c3ccccc3
+C1CCCC1CS(=O)(=O)NC(=O)C2CCN(CC2)c3nc(C)c(cc3C#N)C(OC(C)C)=O
+C1CCCC1N(C(=O)c2cccc(c2SC(C)=O)C)CC(O)=O
+C1CCCC1N2CC(C(Nc3cnc(Cl)nc23)=O)CCC
+C1CCCC1N2CCc3c(cc(cc3)O)C2=O
+C1CCCC1N2N(C(CN3CCN(CC3)c4c(ccc(Cl)c4)OC)=C(C2=O)Cl)C
+C1CCCC1N2c3c(NC(C2CC)=O)cnc(Cl)n3
+C1CCCC1NC(=O)C(CC#N)N2Cc3c4c(ncc3Cl)n(cc4C2=O)S(=O)(=O)c5ccc(cc5)C
+C1CCCC1NC(=O)C2(C(=O)NCCC2)COc3c(C(N)=N)c(ccc3)N
+C1CCCC1NCCNc2nc(C)nc3cc4n(c23)cccc4-c5c(C)cc(cc5C)C
+C1CCCC1Nc2c(I)c(Cl)nc(CC)n2
+C1CCCC1Nc2c3n(c4c(cccc4)n2)c(C)nn3
+C1CCCC1Nc2nccc(-c3nn4c(cccc4Cl)c3-c5nc(NC(C)C)ncc5)c2
+C1CCCC1OCC(Nc2nn3c(nc(cc3C)C)c2-c4cc(C)c(cc4)Cl)=O
+C1CCCC1Oc2c(OC)cc3c(c(cnc3C(c4cc(OC)ccc4)=O)C(O)=O)c2
+C1CCCC1Oc2c(cc3c(N(CCNCc4ccccc4)C5=NC(=NC(C5=N3)=O)O)c2)C
+C1CCCC1Oc2cc(NC(=O)C=3CCCCC=3C(NCCCC)=O)c(F)cc2Cl
+C1CCCC1Oc2cc(cnc2OC)C(=O)O
+C1CCCC1Oc2ccc(c(c2)OCCN3CCCCC3)Br
+C1CCCC1Oc2ccc(cc2)Cc3cc(ccc3Cl)Br
+C1CCCC1c2c(OC(=O)OC)cc(N)c(c2)Cl
+C1CCCC1c2c(OCc3ccccc3)ccc(C=CC(=O)OCC)c2
+C1CCCC1c2ccc(cc2)C3(CC3)C(O)=O
+C1CCCC1c2ccncc2N3C(=O)N(c4ccnc(Cl)c4)CC3
+C1CCCC1c2n[nH]c3c(O)nc(CNCCCl)nc23
+C1CCCC1n2nc(-c3cc(CC(=O)N)ccc3)c4c2ccnc4O
+C1CCCC2(CC1)CCC(COc3ccc(cc3)CCC(=O)O)C2
+C1CCCCC(C1)=C(c2ccc(cc2)OC(C)(C)CO)c3ccc(cc3)O
+C1CCCCC(C1)Oc2ccc(CN)nc2
+C1CCCCC1(C(OCC)=O)CN
+C1CCCCC1(C)C(NC2CN(CCC2)S(=O)(=O)c3cccc(c3C)Cl)=O
+C1CCCCC1(CNC(OC(C(C)C)OC(=O)C(C)C)=O)CC(=O)OC
+C1CCCCC1(NS(=O)(=O)c2ccc(cc2)C)C(=O)c3cc(Cl)cc(c3)Cl
+C1CCCCC1(c2c(OC(OC)=O)cc(c(F)c2)N)C
+C1CCCCC12NC(=O)C(c3cc(-c4cc(c(Cl)cc4)F)ccc3C)=C2O
+C1CCCCC1C(=O)NCCNCc2c(ccc(C(c3ccccc3)=O)c2)N
+C1CCCCC1C(=O)c2cc([N+](=O)[O-])c(cc2)NC
+C1CCCCC1C(CO)Nc2nc3c(cc(cc3)Cn4cnc5c4nccc5)s2
+C1CCCCC1C(N)C(N2CC3N(CCC3)CC2c4nn(cc4)Cc5ccc(cc5)F)=O
+C1CCCCC1C(Nc2nc3ccc(cc3s2)Cn4c5c(cc(c(c5)OC)OC)nc4)C
+C1CCCCC1C(n2c(nc3c2cccc3)-c4ccc(cc4)Cl)C(=O)Nc5ccc(cc5F)OC6(CC6)C(=O)OC
+C1CCCCC1C(n2c3c(nc2-c4ccc(cc4)Cl)cc(c(F)c3)F)COc5cccnc5
+C1CCCCC1C=C(C(Nc2nccs2)=O)c3ccc(-n4nnnc4C)c(Cl)c3
+C1CCCCC1CC(CCCC)CC(O)=O
+C1CCCCC1CC(N2C(C=C(Oc3ccccc3)C2)=O)C(O)=O
+C1CCCCC1CCCCc2n(c3c(cccc3)n2)CCOc4c(C(=O)OC)cc(CC5C(NC(=O)S5)=O)cc4
+C1CCCCC1CCCNCCO
+C1CCCCC1CN2C(=O)N(C(C(=C2N)N=O)=O)CC3CCCCC3
+C1CCCCC1CN2C(C(=Cc3c2c(nc(C(NCCC(O)=O)=O)c3O)-c4ccncc4)c5ccccc5)=O
+C1CCCCC1CN2C(C(=O)OCC)CC(NC(c3c(O)c4c(cccc4)cc3)=O)C2
+C1CCCCC1CN2CCCC(C(OCC)=O)C2=O
+C1CCCCC1Cc2c(-c3ccc(cc3)OC)nc(NC(c4ccc(OC)c(OC)c4)=O)s2
+C1CCCCC1Cc2cn(nn2)C3C4C(C(NC(c5ccccc5)=O)CO4)OC3
+C1CCCCC1N(S(=O)(=O)CCN2C(N)=Nc3c(cc(cc3)C(c4ccccc4)=O)C2)C
+C1CCCCC1N(c2ccc(B3OCC(CO3)(C)C)cc2[N+](=O)[O-])CC(C)C
+C1CCCCC1N2C(C(C(=O)NCC(O)=O)C(=O)N(C3CCCC3)C2=O)=O
+C1CCCCC1N2C(CC(N(c3ccccc3S(=O)(=O)F)C2=O)=O)=O
+C1CCCCC1NC(=O)C2(COc3cccc(N)c3C(NO)=N)C(=O)NCCC2
+C1CCCCC1NC(NC(C)(C)CNc2c(cnc3cc(-c4ccccc4)ccc23)[N+]([O-])=O)=O
+C1CCCCC1NCC(N2C(C#C)CCC2C#N)=O
+C1CCCCC1Nc2cc(C(O)=O)ccc2C(N)=O
+C1CCCCC1Nc2nccc(-c3nc(cc(c3-c4ccccc4)C(N)=O)N5CCNCC5)c2
+C1CCCCC1OCC(COC)(COC)C2CCCCC2
+C1CCCCC1OCCSc2nn3c(cc(nc3n2)C)C
+C1CCCCC1Oc2cc(ccc2NS(=O)(=O)C)[N+](=O)[O-]
+C1CCCCC1Oc2ccc(cc2)-c3c(CCCC)nnc(OCC4C(CCN(C4)C)O)c3
+C1CCCCC1Oc2ncc(cc2)-c3c(N)ncc(F)c3
+C1CCCCC1S(=O)(=O)c2ccccc2Cc3c(n(CC(OCC)=O)c4ccc(cc34)F)C
+C1CCCCC1c2cc(OC)c(CCO)cc2Cl
+C1CCCCC1c2cc3cc(-c4n(nc(c4)-c5cnccc5)CC)cnc3[nH]2
+C1CCCCC1c2cc3cc(cnc3[nH]2)-c4n(nc(-c5nccnc5)c4)CC
+C1CCCCC1c2ccc(O)c(C(O)=O)c2
+C1CCCCC1c2ccc3nc(C)c(-c4nc(-c5ccccc5)c(s4)C(N)=O)n3c2
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+C1CCCCC1c2nc(cn2-c3ccc4nnc5c(nc(n5c4c3)C6CCCCC6)C)C
+C1CCCCCC=2C(=O)N3C(C=C(C(=O)Nc4sc(C)cn4)C=C3)=NC1=2
+C1CCCCCCCCCCCCCC1C=O
+C1CCCCN1C(=O)c2c3c(on2)CCNC3
+C1CCCCN1C(=O)c2ccc(Oc3cc(cc(c3)OC(C)CO)C(=O)Nc4nn(C)cc4)c(F)c2
+C1CCCCN1C(C)CCOc2ccccc2
+C1CCCCN1C(C2CCc3c2nc(s3)-c4ccc(cc4)OCCCN5CCCC5C)=O
+C1CCCCN1CC(N(c2c(ccc(c2)OC)C3CCc4c(C3)ccc(OC)c4)CC)=O
+C1CCCCN1CC2CCCCC2
+C1CCCCN1CC2CCc3n(c4c(cccc4)c3C2=O)Cc5ccc(cc5)C(OC)=O
+C1CCCCN1CC=2NC=3CC(c4c(cc(cc4C)C)C)OC(=O)C=3C(C=2C(=O)OCC)c5cc(O)ccc5
+C1CCCCN1CCC(N)C#N
+C1CCCCN1CCCCCCOc2cc3ccn(-c4ccc(cc4)F)c3cc2
+C1CCCCN1CCCNc2nnc(-c3c(cc([N+](=O)[O-])cc3)OCC)o2
+C1CCCCN1CCCOc2cc(C#Cc3ccc(cc3)Cl)cc(Sc4cc(Cl)c(OCC(=O)O)cc4)c2
+C1CCCCN1CCOc2cc3C(N(c4cc(C(O)=O)ccc4C)C=Nc3cc2)=O
+C1CCCCN1CCn2c3c(c(-c4ccc(cc4)NC(NCc5cccnc5)=O)n2)cccc3
+C1CCCCN1Cc2ccc(cn2)CN
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)CCCCC
+C1CCCCN1N2C(=O)c3c(CC2)n(-c4ccc(Cl)cc4Cl)c(c3C)-c5ccc(cc5)CN6CC(F)(F)CC6
+C1CCCCN1c2c(N)ccc(OCC)c2
+C1CCCCN1c2c(nccn2)N3CCNCC3
+C1CCCCN1c2cc(nc(N3CCCC3C)n2)N4CCN(c5c(C)cc(cn5)CO)CC4C
+C1CCCCN1c2cc3c(nc(c(C(=O)N4CCCCC4)c3-c5ccc(cc5)F)C)cc2
+C1CCCCN1c2ccc3c(c2)c(c(c(C)n3)C(Oc4ccccn4)C)-c5ccc(cc5)F
+C1CCCCN1c2nc(-c3ccc(cc3)C)c(c(CC)n2)C(C(O)=O)CCC
+C1CCCCN1c2nc(ccc2C(=O)Nc3ccc(cc3)NCCc4ccccn4)C
+C1CCCCN1c2nc(nc(C(O)=O)c2)-c3ccc(cc3)-c4ccccc4
+C1CCCN(CC1)C(c2csc(c2)C=3CCN(CC=3)C(C)=O)=O
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+C1CCCN1C(=O)C(C(O)C)NC(CN2CC3(CCCN3)C2=O)=O
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+C1CCCN1C(=O)c2ccc3c(CCC3)c2OC
+C1CCCN1C(C2CCCN(c3ccc4[nH]c(C5(CC5)c6cccnc6)nc4n3)C2)=O
+C1CCCN1C(C2CCCN(c3ccc4c([nH]c(-c5nc(ccc5)C6CC6)n4)n3)C2)=O
+C1CCCN1C(C2CCCN(c3ccc4c(n3)[nH]c(C(C)(C)n5ncc(Cl)c5)n4)C2)=O
+C1CCCN1C2CCC(CC2)N(C)C(c3ccc(-n4nc(c5c4-c6sc(NC(C)=O)nc6CC5)C7CC7)c(Cl)c3)=O
+C1CCCN1C2Cc3c(ccc(c3)Oc4cnc(cn4)C(NC)=O)C2
+C1CCCN1C2Cc3cc(N)ccc3C2
+C1CCCN1CC(CCCCC)=Cc2c(Cl)cc(Cl)cc2
+C1CCCN1CC(OC(=O)C)COc2cc3ncnc(Cl)c3cc2OC
+C1CCCN1CCC#Cc2ccc(cc2)-c3cn4c(cc(C)cc4)n3
+C1CCCN1CCC2C(=O)c3ccc(OC)cc3C2
+C1CCCN1CCCCc2c3c(n(c2C)COCc4ccccc4)c(nc(n3)CCCC)N
+C1CCCN1CCCN2CCSc3c2ccc(c3)NC(=N)c4sccc4
+C1CCCN1CCCc2ccc3N(CC)C(=O)c4c(C)[nH]nc4-c3c2
+C1CCCN1CCN2C(c3c(C)c([nH]c3CC2)C=C4c5cc(OC)ccc5NC4=O)=O
+C1CCCN1CCN2C(c3ccc(-c4c(F)cc(cc4)C(OC)=O)cc3CC2)=O
+C1CCCN1CCN2CCSc3c2cc([N+](=O)[O-])cc3
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+C1CCCN1CCNc2nccc(Oc3ccc4c(C(NCCN5CCOCC5)=O)cccc4c3)n2
+C1CCCN1CCOCC2CCN(CC2)c3c4c(scc4-c5c(OC)cccc5)nc(n3)C6CC6
+C1CCCN1CCOc2ccc(cc2)C#Cc3ncc(cc3)-c4ccc(cc4)Cl
+C1CCCN1CCSc2cccc(c2)Nc3nnc4c(c(cc(c4)-c5c(Cl)ccc(O)c5)C)n3
+C1CCCN1Cc2cc3CNCCc3s2
+C1CCCN1Cc2cc3c(sc(-c4c(NC(c5c(C)oc(-c6ccccc6)n5)=O)cccc4)n3)nc2
+C1CCCN1Cc2sc(cc2)-c3ccc4c(c3)-c5n[nH]c(c5C(N4CC)=O)C
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+C1CCCN1c2cc3c(C(=O)N(O)C(=O)N3c4ccc(cc4F)F)cc2F
+C1CCCN1c2ccccc2CC(N3CC4C(C3)CC(CC4(O)c5ccccc5F)COS(=O)(=O)c6ccc(cc6)C)=O
+C1CCCN1c2cnn3CCNCc23
+C1CCCN1c2nc(C#Cc3ccc4n(c(C)c(C)n4)n3)ccc2
+C1CCCN1c2nc(c(O)c(C)c2C)C
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+C1CCCOC1CCN2c3c(c(nc(n3)NCCCC)N)NC2=O
+C1CCCOC1OCCCCCCCCCC#CCCCCCCCCCCCCCCCCCCCC
+C1CCCc2c(C(=O)O)[nH]nc2C1
+C1CCN(C1)C(C2CCCN(c3ccc4c(nc(C5(CC5)c6ccccc6OC)[nH]4)n3)C2)=O
+C1CCN(C1)C(c2ccc(cc2)C3(SC(=NC(c4ccc(cc4)F)C)NC3=O)C)=O
+C1CCN(C1)C(c2ccc3c(nc(n3CC4CC4)Cc5ccc(cn5)OCC)c2)=O
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+C1CCN(C1)CC(C)(C)CCl
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+C1CCN(C1)CC2NCCC(C(=O)OC)C2
+C1CCN(C1)CC2Nc3ccc(cc3CC2)Br
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+C1CCN(C1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4c(cc(cc4)N)F
+C1CCN(C1)CCCOc2ccc(c(OCCF)c2)N3C(c4cc(C(=O)OC)ccc4N=C3C)=O
+C1CCN(C1)CCCOc2ccc(cc2)Cc3c(NCCCCC)nc(N)nc3C
+C1CCN(C1)CCN2C(=O)N(C)c3c2ccc(Br)c3
+C1CCN(C1)CCNCc2cncc(-c3n(C)c4c(ccc(c4)Cl)c3C#N)c2
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+C1CCN(C1)CCOc2c(CN)cc(cc2)Br
+C1CCN(C1)CCOc2ccc(cc2)Nc3nc4cc(C)cc(n4n3)-c5ccc6c(c5)OCCO6
+C1CCN(C1)CCOc2nc(OC)c(NS(=O)(=O)c3ccc(cc3)CCCF)cc2
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+C1CCN(C1)CCc2ccc(cc2)Br
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+C1CCN(C1)Cc2cc(-c3nn4c(c(Nc5nc(N6C(CCC6)C)ccc5)c3)ncc4)ccc2
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+C1CCN(C1)c2cc(c(C(N)=S)cc2)SC
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+C1CCN(C1)c2nc(n(C)n2)C#Cc3cc(OC)c4nc(C)c(n4n3)C
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+C1CCN(C1)c2ncc(-c3cc(ccc3)NC(Nc4ccc(cc4)Cl)=O)cc2
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+C1CCN1C(=O)c2cccc(N)c2
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+C1CCN1C(c2cc(c3OC(=CC(=O)c3c2)N4CCOCC4)C5CCCN5c6cc(F)cc(F)c6)=O
+C1CCN1C(c2sc3c(Oc4ccc5c(C(NC)=O)c(n(c5c4)CC)C)ccnc3c2)=O
+C1CCN1CC(C(C)C)N(C(=O)c2ccc(cc2)Cl)CC
+C1CCN1c2cc(nc3ccc(N)cc23)CCC
+C1CCN1c2ncc(cc2Cl)Oc3ccc(cc3C#N)S(=O)(=O)Nc4ncc(cc4)F
+C1CCOC1COc2cccc(C(CCN)O)c2
+C1CCc2c1cc(c(I)c2)CBr
+C1CN(C(CC1c2n3c(c(N)ncc3)c(Br)n2)=O)C
+C1CN(C)CC=C1c2cnc(cc2)[N+]([O-])=O
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+C1CN(CCC)CC(c2cc(ccc2)O)=C1
+C1CN(CCC1(C#Cc2ccc(F)c(C#N)c2F)O)C(=O)Cc3ccc(cc3)-n4nnnc4
+C1CN(CCC1(C(=O)OC)N(O)C(=O)Cc2c(C)ccc(C)c2)OC
+C1CN(CCC1(C)C)C(c2nc(c(C3CC3)cc2)OCC4OCCC4)=O
+C1CN(CCC1(C)N)c2c(NC(=O)c3c(N)ncc(-c4ncccc4F)n3)nccc2
+C1CN(CCC1(C)N)c2c3c(ccc2)OCCO3
+C1CN(CCC1(CC)CCOc2cc(ccc2Cl)CC(O)=O)c3sc4c(ccc(Cl)c4)n3
+C1CN(CCC1(COCc2c3ccccc3cc(C#N)c2OC)c4ccc(Cl)c(c4)Cl)C
+C1CN(CCC1(COc2ccc(cc2)C#N)O)Cc3ccccc3
+C1CN(CCC1(Cc2ccc(cc2)C#N)C(OCC3CCCCC3)=O)C(=O)C(Cc4sccc4)N
+C1CN(CCC1(F)F)C(=O)c2nc(sc2)C(NN)=O
+C1CN(CCC1(F)F)C(=O)c2sc3ccc(OC4CCN(CC4)C(C)C)cc3c2
+C1CN(CCC1(F)F)c2nc(N3Cc4c(CC3)nccc4)cc(c2[N+]([O-])=O)C
+C1CN(CCC1(OC)C)C(c2c(ccc(Cc3c4c(c(O)nn3)cccc4)c2)F)=O
+C1CN(CCC1(OC)Cc2c(F)cccc2)c3ccc(cc3)C#N
+C1CN(CCC1(c2ccc(OC)nc2)O)CC(O)c3cc(F)c(O)cc3
+C1CN(CCC1(c2ccc(cc2)Cl)c3ccc(cc3)-c4cn[nH]c4)C
+C1CN(CCC1(c2ccccc2)O)CCC(c3ccc(c(Cl)c3)Cl)CN(C)C(=O)c4ccccc4
+C1CN(CCC1)C(Cc2ccccc2)C(=O)N3C(CCC3)C(=O)N4C(CCC4)C(O)COc5ccccc5
+C1CN(CCC1)C(c2cc(ccc2)Nc3c4c(cc[nH]4)ncn3)=O
+C1CN(CCC1)C(c2noc(C(CCCC3CCCCC3)CC(=O)O)n2)=O
+C1CN(CCC1)C2(CC(C2)CO)CNC(=O)c3c(Cl)cc(cc3)Cl
+C1CN(CCC1)C2CCN(CC2)Cc3sc4c(c3)nc(-c5cnc(nc5)N)nc4N6CCOCC6
+C1CN(CCC1)CC#CC(=O)Nc2ccc3ncc(C#N)c(Nc4cccc(Br)c4)c3c2
+C1CN(CCC1)CC#CCCC(=O)N2c3ncccc3NC(=O)c4ccccc24
+C1CN(CCC1)CC2ON=C(c3ccc(-c4c(F)cc(N5C(=O)OC(Cn6ccnn6)C5)cc4)cn3)C2
+C1CN(CCC1)CCC(=O)Nc2ccc(cc2)C(=O)N3CC4(CC3CC(C)(C)C4)C
+C1CN(CCC1)CCCC(=O)Nc2[nH]nc(c2)-c3cnc(OC)cc3
+C1CN(CCC1)CCCCC(c2c(OC)cc(NC(C)=O)c(Cl)c2)=O
+C1CN(CCC1)CCCCCS(=O)CCC(C)C
+C1CN(CCC1)CCCCCc2c[nH]c3c(nc(CCCC)nc23)N
+C1CN(CCC1)CCCCN2CCN(CCC2=O)C(C=Cc3ccc(c(c3)Cl)Cl)=O
+C1CN(CCC1)CCCNC(NNC(c2ccc(cc2)NC(=O)c3c(cccc3)F)=O)=S
+C1CN(CCC1)CCCOc2cc(C)c(-c3cn4c(cc(C)cc4)n3)cc2
+C1CN(CCC1)CCCOc2cc(F)c(-c3cn4c(n3)cc(C)cc4)cc2
+C1CN(CCC1)CCCOc2cc(ccc2)C(OC)=O
+C1CN(CCC1)CCCOc2ccc3nc(C(=O)OCC)ccc3c2
+C1CN(CCC1)CCNc2ccc3c(COC3=C4C(=O)Nc5ccccc45)c2
+C1CN(CCC1)CCOc2c(cc(CNc3cc(OC)ccc3-c4sc5c(cccc5)n4)cc2)F
+C1CN(CCC1)CCOc2ccc(cc2)C(c3c4c(cc(OS(=O)(=O)C)cc4)ccc3-c5ccc(cc5SC)F)=O
+C1CN(CCC1)CCOc2ccc(cc2)C3c4c(ccc5cc(O)ccc45)-c6ccc(cc6O3)CO
+C1CN(CCC1)Cc2ccc(OCCCCCOc3c4c(cc(Cl)cc4)ncc3)c(c2)OC
+C1CN(CCC1)Cc2ccnc(c2)OCC=CCNC(=O)CCCSCCOC(C)=O
+C1CN(CCC1)Cc2oc(cc2)CNCCN3c4c(NC3=O)cccc4
+C1CN(CCC1)c2c3NCCN(CCN)c3nc(n2)C#N
+C1CN(CCC1)c2cc(-n3ccnc3)ccc2NC(c4oc(C#N)cc4)=O
+C1CN(CCC1)c2cc(N(C)C(C)=O)ccc2N
+C1CN(CCC1)c2cc([n+](cc2Br)[O-])C
+C1CN(CCC1)c2cc(c(cc2)OC)CCN3CCC(CC3)n4ccc5c4cc(C(=O)N)cc5
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+C1CN(CCO1)CCCCCCCCCCCCN
+C1CN(CCO1)CCCCCCCCN
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+C1CN(CCO1)CCCN2C(=O)CCN(CC2)C(C=Cc3ccc(c(c3)Cl)Cl)=O
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+C1CN(CCO1)Cc2ccc(cc2)C(=O)Nc3ccc(cc3)OC(=O)N(C)c4ccccc4
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+C1CN(CCP1(c2ccc(cc2)F)=O)Cc3ccccc3
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+C1CN(CCS1=O)CC2CC(C2)n3cc(-c4cccc(OCC5OCCC5)c4)c6c(N)ncnc36
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+C1CNCCC1(C)CCC=C
+C1CNCCC1(C2CCCCC2)CN=[N+]=[N-]
+C1CNCCC1(CF)NC(OCc2ccccc2)=O
+C1CNCCC1(c2ccc(cc2)Cl)C(C)(C)O
+C1CNCCC12CCC(CC2)OCCn3cncc3
+C1CNCCC12c3ccncc3NC2=O
+C1CNCCC1CC2CCN(CC2)CC
+C1CNCCC1CCC(=O)c2cc3CCOc3cc2
+C1CNCCC1CCOc2cc(F)cc(Nc3ccc(I)cc3F)c2[N+](=O)[O-]
+C1CNCCC1CN2CCCc3cc(-c4cn(C5CCCCO5)nc4)ccc23
+C1CNCCC1N(CC(=O)OCC)C
+C1CNCCC1Oc2c3cc(C=C4C(=O)NC(S4)=N)ccc3ncc2
+C1CNCCC1Oc2cc3c(cc2)ncn3-c4cc(c(C(N)=O)s4)OC(c5c(Cl)cccc5)C
+C1CNCCC1c2nc(-c3c4c(CCO4)c(N)c(c3)Cl)on2
+C1CNCCC1c2nc(nc(c2C#N)O)SCc3cc(C)ccc3C
+C1CNCCC1c2oc(c(C)n2)C
+C1CNCCC1n2c3c(cccn3)nc2
+C1CNCCC1n2cc(-c3ccc4c(CCC(C)N4C(C5CC5)=O)c3OC6CCC6)cn2
+C1CNCCN1C(=O)c2c3n(c(-c4ccccc4)c2Cc5c(C)c(F)ccc5)ccc(Br)c3
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+C1CNCCN1Cc2cc(-c3oc4c(cccc4C(=O)N)n3)ccc2
+C1CNCCN1Cc2cc(ccc2N3CCCC3)Cl
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+C1CNCCN1c2c(OC)ccc(S(=O)(=O)Nc3c(c(cc(c3)Cl)Cl)OC)c2
+C1CNCCN1c2nc(c3nc(Cl)c(NCc4ccccc4)nc3n2)N5CCC5
+C1CNCCN1c2nc(cnc2)OC
+C1CNCCN1c2nc(cnc2N)OCc3cccc(Cl)c3
+C1CNCCN1c2nc3c(nc(c(N4CCS(CC4)=O)n3)SCCC)c(N5CCOCC5)n2
+C1CNCCN1c2nc3ccc(Cl)cc3c4n2nnn4
+C1CNCCN1c2ncc(Cl)cc2OC
+C1CNCCN1c2nccc3c2cc(N(C)C)cc3
+C1COC(O1)(C)c2ccc(s2)Cc3occ(C(=O)OC)n3
+C1COC(O1)(CCC)CCOc2ccnc(CS(c3nc4ccccc4[nH]3)=O)c2C
+C1COC(O1)(CCCCn2cc(N)cn2)C
+C1COC(O1)(c2c(c(c(c(Cl)c2)F)I)OC(C)C(=O)OCC)C
+C1COC(O1)CCN(CCO)C(C)=O
+C1COC2(O1)CC(NCC2)CN3CCCC3
+C1COC2(O1)CC=C(CC2)c3c(ccc(C(OC)=O)n3)F
+C1COC2(O1)CCC(CC2)N3C(C(=C(CCC)n4nccc34)Cc5cc(c(-c6ccccc6C#N)cc5)C)=O
+C1COC2(O1)CCCC(CCCC(C)=O)(C)OC2
+C1COCCC1(CN)F
+C1COCCC1(N)C(NC(C#N)Cc2ccc(cc2)-c3cc(C#N)ccc3)=O
+C1COCCC1(O)c2cccc(n2)CN
+C1COCCC1(OC)c2cccc(COc3c4c(cc(c3)OC)oc(-c5nc6n(nc(C(C)F)s6)c5)c4)n2
+C1COCCC1(c2cc(F)c(c(c2)F)-c3nc(C(OC)=O)ccc3F)C#N
+C1COCCC1(c2scc(COc3cc(Cl)cc4oc(-c5nc6n(nc(OC)s6)c5)cc34)n2)F
+C1COCCC1C(=O)Nc2nnc(cc2)N3CCN(C(=S)Nc4cccc5c4cccn5)C(C(C)C)C3
+C1COCCC1C(C)Nc2nc(Br)c(Cl)cc2
+C1COCCC1C(NC(C(NC)C)=O)C(=O)N2C(C(=O)Nc3c(cccc3F)C)Cc4cccnc24
+C1COCCC1C(O)c2cc3N=CN(C(c3s2)=O)c4ccc(cc4)N5CCN(CCC5)C
+C1COCCC1C2CCN3c4c(CNCC3)cccc24
+C1COCCC1CN2c3ccccc3C4(c5cc(OC)ncc5OC4)C2=O
+C1COCCC1Cc2c(cc(cc2)OC)N
+C1COCCC1Cn2c(nc3c2c4c(nc3N)cccc4)CCl
+C1COCCC1Cn2c(nc3c2ccc(S(=O)(=O)n4ncc(c4)C(=O)NC(C)C)c3)C(C)(C)CC
+C1COCCC1Cn2c3c(nc2C(C)(C)CC)cc(cc3)N
+C1COCCC1Cn2c3c(nc2C(C)(C)OC)cc(cc3)NCC
+C1COCCC1N(C(N2C(=O)N(c3c(cccc3)Cl)N=N2)=O)CC
+C1COCCC1N(C)CCc2ccc3[nH]c(c(c3c2)C(OCc4ccccc4)=O)C
+C1COCCC1N(C)c2ccc(cc2)-c3n[nH]c4c3cc(cc4)NC(=O)C(c5cscc5)N6CCCC6
+C1COCCC1N2C(=O)N(Cc3ccc(OC)c(c3)OC)C(c4cc(ccc24)CNC(=O)C)=O
+C1COCCC1N2CCN(C(Nc3ccc(Oc4cc(ncc4)-c5cn(nc5)C)cn3)=O)C2=O
+C1COCCC1N2CCN(CC2)C=3N=CN(C(N=3)=O)Cc4ccc(cc4)Cl
+C1COCCC1N2c3c(N(C)C2=O)cnc4ccc(cc34)-c5ccc(nc5)OCCCN(C)C
+C1COCCC1N2c3nc(ncc3NC2=O)Nc4c(O)nccc4
+C1COCCC1NC(=O)c2cc(n(CC3CCCCC3)c2C)-c4cc(C(C)(C)O)c(cc4)-c5n(ncc5)C(C)C
+C1COCCC1NC(c2ccc(NCc3c(noc3C)CCCC)nc2)=O
+C1COCCC1Nc2c(C(=O)OC)cc(s2)-c3ccc(F)cc3F
+C1COCCC1Nc2c(c(C(=O)NCC(CN3Cc4c(CC3)cccc4)O)ccc2)C
+C1COCCC1Nc2c3c(n(nc3)CC)nc(c2CNC(=O)c4ccc(cc4)CCCCCCCCN(CCO)C)CC
+C1COCCC1Oc2cc(N)ncc2C#N
+C1COCCC1Oc2ccc(cc2C#N)-c3ccnc(Nc4ncc(cc4)N5CCOCC5)n3
+C1COCCC1Oc2ncc(C(=O)N3CCCN(CC3)C4CCC4)cc2
+C1COCCC1S(=O)(=O)C(C)(C)C(=O)Nc2onc(C(C)(C)CNC(=O)C)c2
+C1COCCC1S(=O)(=O)c2c(OC)cc3c(c(ccn3)Nc4n[nH]c(c4C)C)c2
+C1COCCC1c2c3sc(NC(c4cc(ncc4)CNCCOC)=O)nc3c(OC)cc2
+C1COCCC1c2nc3c(cc(Oc4cc(N5CCC6(CC5)c7c(NC(=O)O6)nccc7)ncn4)cc3[nH]2)Cl
+C1COCCN1C(=O)COC2CCN(CC2)C(=O)c3c(ccc(c3)Cc4c5c(c(O)nn4)cccc5)F
+C1COCCN1C(=O)Nc2nccc(c2)Oc3c(cc(NC(=S)NC(=O)Cc4ccccc4)cc3)F
+C1COCCN1C(=O)Oc2c(cccc2OCC=C)C(=O)C
+C1COCCN1C(=O)c2cc(Cl)ccc2CN3CCN(CC3)C(=O)ON4C(CCC4=O)=O
+C1COCCN1C(=O)c2cnc(NN)cc2
+C1COCCN1C(=O)c2cnc(c3c2n(cn3)C)Cl
+C1COCCN1C(=O)c2cnc(c3ncn(c23)C)Nc4cccc(c4)Cl
+C1COCCN1C(=O)c2coc(-c3ccc(cc3)OCCCN4CCCC4C)n2
+C1COCCN1C(=O)c2n3ncccc3c(C(NCc4c(cc(nc4O)C)C)=O)c2C
+C1COCCN1C(C)(C)C(=O)c2ccc(cc2)SCCS
+C1COCCN1C(C)(C)C(c2ccc(cc2)SCC=C)=O
+C1COCCN1C(CCCOc2cc3ncnc(c3cc2OC)Nc4c(F)cc(Cl)cc4)=O
+C1COCCN1C2=NN(C(=O)c3ccccc23)NC(Cc4cc(ccc4)OC)=O
+C1COCCN1C=2N=C(N(C(=O)C=2)C)CC(N3c4cccc(F)c4CC3C)=O
+C1COCCN1CC#Cc2cc(cc(OCC(C)C)c2)Sc3cc(C)c(cc3C)OCC(O)=O
+C1COCCN1CC(COc2cc3nccc(Oc4cc(c(cc4)NC(=O)Nc5ccc(cc5)F)F)c3cc2C#N)O
+C1COCCN1CCC(c2ccccc2N)=O
+C1COCCN1CCCCc2ccc3ncn(-c4sc(c(-c5cc(ccc5)Cl)n4)C(N)=O)c3c2
+C1COCCN1CCCN(C)Cc2ccc(c(Nc3sc(c(-c4cccc(c4)Cl)n3)C(N)=O)c2)[N+]([O-])=O
+C1COCCN1CCCc2ccc(cc2)S(=O)(=O)NCc3ccc(cc3)C(=O)Nc4cccnc4
+C1COCCN1CCOc2cc3ccc[n+](c3cc2)[O-]
+C1COCCN1CCOc2cccc(c2)-c3sc4c(nccc4Oc5ccc([N+]([O-])=O)cc5F)c3
+C1COCCN1CCc2cc(F)c(cc2)[N+]([O-])=O
+C1COCCN1CCn2c(c(C(c3c4ccccc4c(C)cc3)=O)c5c2nccc5)C
+C1COCCN1CCn2c3c(cccc3)nc2CN(C)C4CCCc5cccnc45
+C1COCCN1Cc2c(ncc(C=CC(N(Cc3c4ccccc4n(c3)C)C)=O)c2)N
+C1COCCN1Cc2ccc(cc2)CCC#Cc3ccc(-c4ccc(cc4)Cl)cn3
+C1COCCN1Cc2ccc(cc2)Cc3ccc(cc3)C(=O)NC(C(=O)NO)C(O)C
+C1COCCN1Cc2ccc(o2)C(=O)Nc3sc4c([nH]nc4n3)-c5c(cccc5)Br
+C1COCCN1Cc2sc(Cl)c(C(=O)CC(=O)OC)c2
+C1COCCN1S(=O)(=O)c2cc(c(OCCC)cc2)-c3nc4c(c(O)n3)c(nn4CCC)C
+C1COCCN1S(=O)(=O)c2cc3c(cc2)CCN(CC3)C(C)=O
+C1COCCN1c2c(Br)cc(c(C)n2)[N+](=O)[O-]
+C1COCCN1c2c(COc3cccc(O)c3C=O)cccn2
+C1COCCN1c2c(O)cc(cc2)Nc3nc(c4cn[nH]c4n3)-c5cccc(NC(C=C)=O)c5
+C1COCCN1c2c(nc(s2)C)-c3ccc(cc3)OCCCCCOc4ccc(cc4)C#N
+C1COCCN1c2c3CCN(c4ncnc5cc(c(OC)cc45)OC)c3ccc2
+C1COCCN1c2c3c(CCNCC3)nc4ccnn24
+C1COCCN1c2c3c(cc(CN(C4CCN(CC4)CCOC)C)s3)nc(n2)Cl
+C1COCCN1c2c3c(cc(CN4CCC(CC4)Cn5ccnc5C)s3)nc(Cl)n2
+C1COCCN1c2c3c(cc(CN4CCC5(CC4)CNC5=O)s3)nc(Cl)n2
+C1COCCN1c2c3c(cc[nH]3)nc(-c4cc(ccc4)O)n2
+C1COCCN1c2c3n(ccn2)cc(COc4ncc5c(cccc5)n4)n3
+C1COCCN1c2c3sc(-c4nc5c(n4C)cccc5)nc3c(cc2)OC
+C1COCCN1c2cc(-c3cc(F)cc4c3cc[nH]4)nc(n2)-c5ccccc5
+C1COCCN1c2cc(B(O)O)c3c(c2)n(c(n3)CF)Cc4cccc(Cl)c4C
+C1COCCN1c2cc(C(NC)=O)c(N)cc2
+C1COCCN1c2cc(NN=Cc3ccc(cc3)Cl)nc4cc(-c5ccccc5)nn24
+C1COCCN1c2cc(nc(-c3ccccc3Oc4ccc(cc4C(O)=O)Br)c2)OCc5ccc(cc5)OC
+C1COCCN1c2cc3c(c(Cc4n5nc(Cl)ccc5nn4)c(cc3nc2)F)F
+C1COCCN1c2cc3n(Cc4cc(ccc4)Cl)c(C)nc3c(B(O)O)c2
+C1COCCN1c2cc3nc([nH]c3c(c2)OC)C
+C1COCCN1c2ccc([N+](=O)[O-])c(OCCC#N)c2
+C1COCCN1c2ccc(c(Nc3c4c(nc(-c5ccccc5F)c3C)cccc4)c2)C#N
+C1COCCN1c2ccc(cc2)CNC(=O)Nc3cccc4cnccc34
+C1COCCN1c2ccc(cc2)Nc3nc(c4ccnc(c4n3)-c5cc(ccc5)[N+]([O-])=O)Cl
+C1COCCN1c2ccc(cc2)Nc3nc4C(C#CCN)=CN(c5c(cccc5Cl)Cl)C(=O)c4cn3
+C1COCCN1c2ccc(cc2)Nc3nccc(Sc4ccc(cc4)NC(C=C)=O)n3
+C1COCCN1c2ccc(cn2)-c3cn(c4c3ccc(F)c4)S(=O)(=O)c5ccccc5
+C1COCCN1c2ccc3c(O)nnnc3c2
+C1COCCN1c2ccc3c(c2)N=C(N)C4CCCC34
+C1COCCN1c2ccc3c(ccc(N)c3-c4c(cccc4)C)n2
+C1COCCN1c2cnc(C(=O)N3CCCCC3)cc2
+C1COCCN1c2cnc(nc2)NC3CC(CC)N(C(=O)OCC)c4ccc(OC)nc34
+C1COCCN1c2cnc3c(cc(cc3)Sc4n5cc(ccc5nn4)C(C)=NO)c2
+C1COCCN1c2cnc3ccc(cc3n2)C(c4ccc(cc4)N)=O
+C1COCCN1c2nc(-c3ccccn3)nc(c2)CNC(C)C
+C1COCCN1c2nc(Cl)nc3cc(sc23)CN(C4CCN(CC4)C)CCOC
+C1COCCN1c2nc(S(C)=O)nc(-n3c4ccccc4nc3C(F)F)c2
+C1COCCN1c2nc(nc(N(C)C)n2)-n3cncc3
+C1COCCN1c2nc(nc3cc(sc23)CO)Cl
+C1COCCN1c2nc3c(c(C(O)=O)c2)nc(n3Cc4c(c(Cl)ccc4)Cl)C
+C1COCCN1c2nc3c(ccc(C(c4cccc(NC(=O)Nc5cccc(F)c5)c4)=O)c3)nc2
+C1COCCN1c2nc3oc4c(ncnc4NCc5cnccc5)c3c6CC(C)(C)CCc26
+C1COCCN1c2ncc(-c3cnc(NS(=O)(=O)C)cc3)c(c2)Nc4c(C)c(nc5cc(F)cc(c45)F)-c6ccccn6
+C1COCCN1c2ncc(n3cc(nc23)C(NN)=O)Br
+C1COc2cc(N)ccc2N1CCC3CCCN3C
+C1CS(=O)(=O)CCN1C(=O)c2n(c3c(cc(cc3)OC4CCNCC4)c2)C(C)C
+C1CS(CCN1C(=O)N2CC(c3ccc(cc3)OC(F)F)CC(C(O)=O)C2)=O
+C1CSC2(S1)c3c(c(C)cc(C(O)=O)c3C)CCC2
+C1Cc2c(-c3c1c(sc3OCC)C(=O)N)n(C)nc2
+C1Cc2c(NC1=O)c(F)cc(c2)O
+C1Cc2c(c(ccc2)NC(C)=O)C1=O
+C1Cc2c(cc(c(n2)O)NC)-c3c1cccc3
+C1Cc2c(ccc(F)c2Br)C(CC(=O)O)N1C(CN)=O
+C1Cc2c(cccc2Br)C(N1C(=O)c3nn4c(ncc(c4)Br)c3)C
+C1Cc2c(nc(C)s2)-c3c(sc(C(=O)O)c13)SC
+C1Cc2cc(OC)ccc2Sc3cccc(C(Cl)=O)c13
+C1Cc2cc(cnc2NC1)-c3nccnc3
+C1N(C(=O)CC)CCC1CC(NN)=O
+C1N(C(N(C1O)c2sc(C(C)Oc3cc(c(Cl)cc3)Cl)nn2)=O)C
+C1N(CC1(C(=O)N)NCC)c2ccnc3c(c(nn23)-c4c(cccc4)Cl)I
+C1N(CC1(F)F)C(=O)c2ccc(c(c2)N(C(c3cc4CCOc5cc(C(=O)NCCS(=O)(=O)C)ccc5-c4s3)=O)C)Cl
+C1N(CC1)C(c2cnc(Oc3cc(cc(c3)OC(C)CO)C(Nc4cnc(cn4)C)=O)c(Cl)c2)=O
+C1N(CC1)C2=NC3C(O)C(O)C(CNC4CCCC4)OC3S2
+C1N(CC1)Cc2cc(-c3cc(c4[nH]cc(C5CCS(=O)(=O)C5)c4c3)C(=O)N)cs2
+C1N(CC1)Cc2nccc(-c3cc(ccc3Oc4cc(F)c(S(=O)(=O)Nc5cscn5)cc4F)Cl)c2
+C1N(CC1)c2nc(n(n2)C)CCc3nc4n(n3)c(cc(n4)C)C
+C1N(CC12CCCN2C)c3cc(OC)c(cc3NC(C=C)=O)Nc4nc(ccn4)-c5cnn6c5CCCC6
+C1N(CC1C#N)C(C(C2CC2)NC(=O)c3c[nH]c4c3nc(cn4)N5Cc6c(cccc6Cl)C5=O)=O
+C1N(CC1C(=O)N2CCCN(C(C)C)CC2)C(=O)c3cnc(C)cc3
+C1N(CC1C(=O)N2CCCN(C3CCC3)CC2)C(CC)=O
+C1N(CC1C(=O)NS(=O)(=O)c2ccc3ccccc3c2)c4nc(c(cc4C#N)C(=O)OCC)C(F)F
+C1N(CC1CCCCNC(c2cc3cnccc3[nH]2)=O)C(c4ccccc4)=O
+C1N(CC1CNc2c3sccc3nc(n2)Nc4cnn(C)c4)C(C=C)=O
+C1N(CC1N(C)C(C)(C)C(=O)N)Cc2n(CC)c3c(c(N4CCOCC4)nc(Cl)n3)n2
+C1N(CC1N2CC(C2)NC(=O)C=C)C(CNc3cc(c(Cl)cc3O)Cl)=O
+C1N(CC1NC)c2c3nncn3c4c(n2)ncc(N)c4
+C1N(CC1NC)c2c3nnnn3c(cn2)-c4cccs4
+C1N(CC1O)CC(C(CC)C)N(C)C(c2cc(c(cc2)F)F)=O
+C1N(CC1c2nc3cc(Cl)ccc3[nH]2)c4nc(N5CCOCC5)ncc4Cl
+C1N(CC1c2nccnc2N3CCC(CC3)(C)O)C(c4[nH]c5ccccc5n4)=O
+C1N(CCc2ccnc3c2nc(OC)cc3)CCCC1CNCc4ccc5c(n4)NC(=O)CS5
+C1N(Cc2n(c(-c3ccc(cn3)F)nn2)C1)C(=O)c4c(c(c(cc4)F)Cl)Cl
+C1N(Cc2n(c(Cl)c(n2)Cl)C1)C(=O)c3ccc(Cl)cc3Cl
+C1N(c2c(S1)cccc2)C(=O)c3cc(c(OC)c(Cl)c3)I
+C1N2C(CN(CCc3cc(OC)c(cc3)C#N)C1)COC(c4c(c5COC(c5cc4)=O)C)C2
+C1N=C(c2cc(I)ccc2NC1=O)c3c(cccc3)Cl
+C1NC(NCC1)=NCCCOc2ccc3CC(CC(O)=O)c4c(Cc3c2)cccc4
+C1OC(CCC1)OCc2c(Br)cccc2Cl
+C1OC(OCCCCC#CCCCCCCCCCCO)CCC1
+C1OC2(CCC2)OCC1COc3c(C)c[n+]([O-])c(c3C)C
+C1OCC1(C(c2ccc(C)o2)NC=3C(C(C=3Nc4c5c(NC(=O)N5)ccc4)=O)=O)C
+C1OCC1(CC(=O)O)c2ccc(cc2)OCc3cc(-c4c(C)cc(cc4C)OCC5COCC5)ccc3
+C1OCC12CCN(CC2)C(=O)c3ccc(cc3)-c4cn5c(ncc5-c6ccc(cc6)C#N)cn4
+C1OCCCC1CCn2c(OC)nc3c2nc(nc3N)OC(CCC)C
+C1Oc2ccc-3c(c2C1)C(=CC#N)c4c-3cccc4
+C1SC(SCC1)CCC#CCN(CC)CC
+C1SC=2C(N3C=C(c4nnn[nH]4)C=CC3=NC=2C1)=O
+C1c2c(CC1Nc3nc4CCN(C(c5ncc(cc5)-c6nn[nH]c6)=O)Cc4cn3)cccc2
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(=O)OCCCc5nnn[nH]5)cccc2
+C1c2c(CC1Nc3nc4CCN(Cc4cn3)C(OCCCc5c[nH]nn5)=O)cccc2
+C1c2c(CC1Nc3ncc4c(n3)CCN(C(CNCCCC#C)=O)C4)cccc2
+C1c2c(CN(C(c3c4ccccc4nc(-c5cc(ccc5)F)n3)=O)C1)ccc(OC)c2O
+C1c2c(CN1CC(CNC(COc3c4c(ccc3)OCCN4C)=O)O)cccc2
+C1c2c(OC)c(c(c(OC)c2CC1CCCCCCCCN3CCN(CC3)c4ncccc4)OC)OC
+C1c2c(Sc3cc(ccc3C1=O)Cc4[nH]nnn4)cccc2
+C1c2c(cc(cc2Cl)F)C(C1)(O)CC(=O)O
+C1c2c(ccc(Br)c2)CC1N3C(=O)CN(CCc4cc5COC(=O)c5cc4)CC3
+C1c2c(cncc2C(NC(CC)=O)C1)-c3cc4CCC(N(c4cc3)C)=O
+C1c2cc(nc(c2C(N1)=O)Nc3cc4c(c[nH]n4)cc3)NC5CCCCC5N
+C1c2ccc(N3CC(C)N(CCC4c5c(CCO4)cc(cc5)C(=O)N)CC3)c6c2c(ccc6)C1
+C1c2ccccc2CC1(C(O)=O)NC(c3cc(OCCc4cc(C)ccc4)c(cc3)Br)=O
+C=1(N(C(C(=C(O)C=1)Cl)=O)Cc2cc(ccc2)OC)C
+C=1(O)c2c(N(C(=O)C=1C(C=Cc3cc(ccc3)NC(=O)COC)=O)C)nccc2
+C=12C(CCCC=1Nc3c([nH]cc3C2c4ccc(Sc5[nH]c6ccc(cc6n5)O)o4)C(=O)OCC)=O
+C=1C(Oc2c(ccc(c2)CCCCO)C=1)=O
+C=1CN(c2c(cccc2CS(=O)c3[nH]c4c(n3)cccc4)C=1C)C
+C=1N(C(c2c(cccc2)N=1)=O)c3c(c(ccc3)-c4cnc(c5[nH]c6c(ccc(OCC(C)O)c6)c45)C(N)=O)C
+C=C(C)CN1C(N)=C(N=O)C(=O)N(C1=O)C
+C=CCN(CC=C)S(=O)(=O)c1cnccc1NS(=O)(=O)C=Cc2ccc(cc2)-c3cc4ccccc4o3
+C=CCOP(OCC=C)(=O)OCc1c(ccc(F)c1)C(=O)O
+C=CCOc1cc2c(SC(C(=O)O)=CC2=O)cc1
+C=CCc1c(O)c(ccc1OCCCOc2cccc(c2CCC)OCC(=O)OCC)C(=O)N
+CC(=O)N1Cc2ccccc2S(CC1)=O
+CC(C(=O)O)c1cc2oc(N)nc2cc1
+CC(C(=O)OCCN(C)CCOC)=C
+CC(C)(Br)c1ccc2C(c3ccccc3C(c2c1)=O)=O
+CC(C)(C#Cc1cc2c(cc1)Oc3c(cc(cn3)-c4cnccc4)C25NC(=N)OC5)OC
+CC(C)(C#Cc1ccc(c(C(c2ccc(cc2)Nc3c(cc(F)cc3)F)=O)c1)OC)N
+CC(C)(C#N)NC(=O)C(CC)Oc1cc2c(cc1)ccc(OCC)c2
+CC(C)(C#N)c1c(cc(NC(c2cc(c(cc2)OC)OC)=O)cc1)-c3ccc(cc3)C
+CC(C)(C#N)c1cccc(C(Nc2cc(ccc2)N(C)c3ncc4c(sc(NC(c5cnccc5)=O)n4)n3)=O)c1
+CC(C)(C#N)c1cccc(NC(Nc2ccc(c(c2)NC(c3sc4c(nccn4)c3)=O)C)=O)c1
+CC(C)(C#N)c1ncc(cc1)Nc2c3cc(Br)ccc3ncc2N
+CC(C)(C(=O)O)CCCCCCc1ccccc1
+CC(C)(C(=O)O)CNC(OCc1ccccc1)=O
+CC(C)(C(C(N1C(C(NCc2cc3c(c(N)ncc3)cc2)=O)CCC1)=O)NC(OCC)=O)SC(C)C
+CC(C)(C(C)=O)c1cc(c(F)cc1)OC
+CC(C)(C(C)=O)c1cc(c(cc1)F)C#N
+CC(C)(C(C)Oc1ncnc(OCC#CCC)c1)F
+CC(C)(C(N)=O)c1ccccc1CCc2c(Cl)cnc(Nc3cnn(c3)C)n2
+CC(C)(C(NCC(C)C)=O)c1ccc(cc1)-c2cc(cnc2)COC
+CC(C)(C(OC)=O)OCCCCCCCc1csc(n1)-c2ccccc2
+CC(C)(C(c1cc(cc(c1)F)C(=O)OCC)C2CN(C2)C(c3ccc(cc3)C#N)c4cccc(c4)C#N)F
+CC(C)(C(c1ccccc1)N)N2CCCC2
+CC(C)(C)C#Cc1c(cc(cc1Cl)N=C=S)Cl
+CC(C)(C)C#Cc1c(ccc(Cl)n1)NC(=O)CCC
+CC(C)(C)C#Cc1c2c(c(nn1)Nc3ccc(cc3)Oc4ccnc5c4ncc(c5)OC)cccc2
+CC(C)(C)C#Cc1ccc(cc1)CCS(=O)(=O)Nc2ccc(cc2S(=O)(=O)N)C
+CC(C)(C)C#Cc1ccc(cc1F)C=2NC(=O)N(N=2)c3cc(ccc3Cl)CNC(C(C)C)=O
+CC(C)(C)C#Cc1sc(C(O)=O)c(N(C2CCOCC2)C(=O)c3ccc(cc3Cl)Cl)c1
+CC(C)(C)C#Cc1sc(c(N(C2CCC(CC2)O)C(=O)C3CCC(CC3)C)c1)C(=O)OC
+CC(C)(C)C#Cc1sc(c(N(C2CCC(CC2)n3nncc3)C(=O)C4CCC(CC4)C)c1)C(=O)OC
+CC(C)(C)C(=O)COc1c(C)cc(cc1)C(CC)(CC)c2ccc3cc(oc3c2)C(O)=O
+CC(C)(C)C(=O)COc1c(cc(C(CC)(CC)c2cc3ccc(cc3cc2)C(=O)N(C)C)cc1)C
+CC(C)(C)C(=O)N1c2ccccc2N(CC(c3ccccc3C)=O)C(C(C1)NC(Nc4cccc(c4)C)=O)=O
+CC(C)(C)C(=O)NC(C)C(c1ccccc1)Oc2cc3c(n(-c4ccc(cc4)F)nc3)cc2C
+CC(C)(C)C(=O)NCc1c(F)c(C(Nc2cccc3c(ncnc23)Oc4cccc(C(F)(F)F)c4)=O)c(cc1)Cl
+CC(C)(C)C(=O)NCc1c(cc(Cl)c(c1)C2=NC(=O)N(N2)c3cc(Cl)c(F)cc3)F
+CC(C)(C)C(=O)NCc1cc(c(cc1)Cl)Nc2[nH]c3cc(c(Cl)cc3n2)N4C(CCC4)CN(C)C
+CC(C)(C)C(=O)NCc1ccc(c(c1F)N=C=S)Cl
+CC(C)(C)C(=O)NS(=O)(=O)c1cc(Cl)ccc1OCC(=O)N2CC(C)N(CC2C)Cc3ccc(cc3)F
+CC(C)(C)C(=O)Nc1[n+](cc(cc1)CC)[O-]
+CC(C)(C)C(=O)Nc1c(C)ccc(c1)-c2nc3n(c2Br)nc(cc3)OC
+CC(C)(C)C(=O)Nc1c(I)cc2c(n1)ccc(-c3ccccc3C)c2
+CC(C)(C)C(=O)Nc1c(cccc1)-c2c(C)n(Cc3ccccc3)nc2C#N
+CC(C)(C)C(=O)Nc1cc(c(cc1)NCC2CCCCC2)N
+CC(C)(C)C(=O)Nc1ccc(F)c(CCN2CCN(CC2)c3c4c(nc(cc4)C)ccc3)c1
+CC(C)(C)C(=O)Nc1ccc(cc1)Oc2cc3nc(cnc3cc2)N4CCN(CC4)C(=O)OC(C)(C)C
+CC(C)(C)C(=O)Oc1cc2c(CC(CC2)c3ccc(cc3NCCCc4ccc(cc4)CC(Cl)=O)OC)cc1
+CC(C)(C)C(=O)c1c2c(cc(OC)cc2)n(CC(=O)N3C(CCC3CCC)CCC)n1
+CC(C)(C)C(C(=O)N(C)C)NC(c1ccc(cc1)-c2cnc3n(n2)c(C4(CC4)c5ccc6ncsc6c5)nn3)=O
+CC(C)(C)C(C(=O)O)NC(=O)C(C1CCCCC1)NC(=O)c2cnccn2
+CC(C)(C)C(C(N)=O)NC(c1c2c(n(Cc3noc(C)c3)n1)cccc2)=O
+CC(C)(C)C(C(N1CCC(CC1)(O)c2ccccc2)=O)NC(=O)c3c4c([nH]c3)ncc(n4)C5CC5
+CC(C)(C)C(C(NC)=O)NC(c1nc(n2CCN(S(=O)(=O)CC)Cc12)-c3ccccc3)=O
+CC(C)(C)C(C)N(Cc1ccc2n(COC(N3CCCC3)=O)c(nc2c1)N)C(=O)OCc4ccccc4
+CC(C)(C)C(C)NC=1C(=O)C(=O)C=1N(c2ccc(cc2CC)C#N)C(=O)C
+CC(C)(C)C(CN1C(=O)c2cc(CC)sc2N(C1=O)Cc3ccc(cc3)-c4c(cccc4)C5=NOC(=O)N5)=NOC
+CC(C)(C)C(CN1C(C(CN(C2CCCCC2)c3ccc(C)cc13)NC(=O)Nc4cc(C(O)=O)ccc4)=O)=O
+CC(C)(C)C(CN1CC2CN(CC(C1)O2)CCc3ccc(cc3)C#N)=O
+CC(C)(C)C(COc1c(C)cc(cc1)C(CC)(CC)c2cc3c(cc(C(=O)N(C)C)s3)cc2)O
+CC(C)(C)C(COc1c(C)cc(cc1)C(CC)(CC)c2ccc(cc2)-c3nnn[nH]3)O
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2cc3cc(ccc3s2)OS(=O)(=O)C)C)=O
+CC(C)(C)C(COc1c(cc(cc1)C(CC)(CC)c2cc3ccc(OS(=O)(=O)C)cc3o2)C)O
+CC(C)(C)C(COc1ncnc2oc(c(-c3ccc(cc3)CC)c12)-c4ccccc4)COCC(O)=O
+CC(C)(C)C(N)C(N1CCC(N=[N+]=[N-])C1C(=O)NC(Cc2ccc3ccccc3c2)C(=O)OC)=O
+CC(C)(C)C(NC(=O)N1C(N(c2ccccc12)CCC(C)(C)O)=O)C(=O)N
+CC(C)(C)C(NC(=O)OC)C(NC(Cc1ccccc1)C(O)CC(N)Cc2ccccc2)=O
+CC(C)(C)C(NC(=O)c1[nH]c2ccccc2c1)C(N3C4CC(C3)N(C4)C(=O)c5ccc(-c6c(F)cccn6)cn5)=O
+CC(C)(C)C(NC(=O)c1[nH]c2ccccc2c1)C(N3C4CC(N(C(=O)c5ccc(-c6ncc(C#N)cc6)cn5)C4)C3)=O
+CC(C)(C)C(NC(C(NCC)C(C)(C)c1ccccc1)=O)C(N(C(C(C)C)C=C(C)C(=O)O)C)=O
+CC(C)(C)C(NC(Nc1ncc(Oc2ccnc(NC(N3CC(N(C)C)CC3)=O)c2)cc1)=O)=O
+CC(C)(C)C(NCCc1nc(COc2ccccc2)oc1C(O)=O)C
+CC(C)(C)C(NCc1cc(c(cc1)Cl)C=2NC(=O)N(c3cc(Cl)c(cc3)F)N=2)=O
+CC(C)(C)C(NCc1ccc(Cl)c(Nc2nc3cc(C(=O)Nc4ccc(cc4)Br)c(cc3n2C)OCC(F)F)c1)=O
+CC(C)(C)C(NCc1ccc(c(Nc2nc3c(cc(F)c(c3)C(Nc4ccc(c(Cl)c4)F)=O)n2C)c1Cl)Cl)=O
+CC(C)(C)C(NCc1ccc(c(c1F)C(Nc2cccc3c2nc(nc3NC4CCC(F)(F)CC4)C)=O)Cl)=O
+CC(C)(C)C(Nc1c(C)ccc(-c2c(n3nc(ccc3n2)OC)-c4ccc(cc4)F)c1)=O
+CC(C)(C)C(Nc1c(Cl)cccc1CO)=O
+CC(C)(C)C(Nc1c(F)c(C(=O)c2ccc3nccnc3c2)c(cc1)F)=O
+CC(C)(C)C(Nc1c(ccc(-c2nc3ccc(nn3c2)-c4c(ccnc4)C(F)(F)F)c1)C)=O
+CC(C)(C)C(Nc1c(ccc(-c2nc3n(cc(-c4ccccc4F)cc3)c2)c1)C(F)(F)F)=O
+CC(C)(C)C(Nc1c(cnc(-c2c[nH]c3ncc(cc23)F)n1)F)Cn4cc(nn4)CO
+CC(C)(C)C(Nc1cc(ccc1)C=2NC(=O)c3n(c(C4CCCC4)nc3CC)N=2)=O
+CC(C)(C)C(Nc1ccc(C#N)c2c1cc(C)o2)=O
+CC(C)(C)C(Nc1nc(ncc1F)-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)F)CCC(=O)OCC
+CC(C)(C)C(OC)CN1c2n(nc(C)n2)C(=C(Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4)C1=O)CCC
+CC(C)(C)C(OCC1CCN(CC1)CCCN2c3c(cc(c(F)c3)F)CCC2=O)=O
+CC(C)(C)C(OCOC(=O)C(Cc1cc2c(nc(cc2)-c3c(cccc3Cl)Cl)cc1)NC(c4c(Cl)cccc4Cl)=O)=O
+CC(C)(C)C(c1c(cc(I)cc1)[N+](=O)[O-])OC(=O)C2CC3CCC2(C)C3(C)C
+CC(C)(C)C1(OCCO1)COc2c(cc(cc2)C(CC)(CC)c3cc(c4oc(C(=O)OCC)cc4c3)C)C
+CC(C)(C)C1CC(C1)=O
+CC(C)(C)C1CCC(CC1)=Cc2ccc3cc(ccc3c2)CN4CCC(CC4)C(O)=O
+CC(C)(C)C1CCC(CC1)CC(CN2CCCCC2)C
+CC(C)(C)C1CCC(CC1)NC(=O)c2ccc(cc2)Oc3cc4c(cc3Cl)C(C(=O)O)CCO4
+CC(C)(C)C1CCC(CC1)Oc2ccc3cc(ccc3c2)CNCCC(=O)NS(=O)(=O)C
+CC(C)(C)C1CCC(CC1)Oc2cccc3cc(CNC4C(C)(C)C(C(O)=O)C4)ccc23
+CC(C)(C)C1CCN(CC1)CCCNC(Nc2cc(N3C(=C(C)NC(C)=C3C(OC)=O)C(OC)=O)ccc2)=S
+CC(C)(C)C1CCc2c(cc3c(n2)sc(c3)C(NC(c4cccc(Br)c4)CN)=O)C1
+CC(C)(C)C1N2C(c3cc(OC)c(OCCCN4CCOCC4)cc3C1)=CC(=O)C(C(OCC)=O)=C2
+CC(C)(C)C1OCC=2c3c(C(OC=2C1)=O)scc3
+CC(C)(C)CC(=O)N1CCC2(CCN(c3ccc(cc3)CC(F)(F)F)C2=O)CC1=O
+CC(C)(C)CC(=O)Nc1c(C)c2c(OCC2c3ccc(cc3)C(C)(C)O)c(c1C)C
+CC(C)(C)CC(=O)Nc1c(OC)cc(cc1OC)N2CCc3c(C2)cccc3
+CC(C)(C)CC(=O)Nc1c(c(c2c(C(c3ccc(c(OCCO)c3)C(C)C)CO2)c1C)C)C
+CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(n2-c3ccccc3)C(Nc4ccc(cc4)NC(OC(C)(C)C)=O)=O
+CC(C)(C)CC(C)(C)c1c(cc2C(CC(Oc2c1)(COc3ccc(cc3)CC4SC(=O)NC4=O)C)=O)OC(C)=O
+CC(C)(C)CC(Nc1c(N2CCCC2)nc(cc1)NCc3ccc4OCOc4c3)=O
+CC(C)(C)CC1NC(C(Nc2c(cc(C(N)=O)cc2)OC)=O)C(c3cccc(Cl)c3F)C14c5cc(F)c(Cl)cc5NC4=O
+CC(C)(C)CCC(C(Nc1ccn(CC(CO)O)n1)=O)N2CC(Oc3c(cccc3)Cl)=CC2=O
+CC(C)(C)CCN1C(=O)C(C=2NS(=O)(=O)c3cc(NS(=O)(=O)CCN(CC)CC)ccc3N=2)=C(C(=N1)c4cccs4)O
+CC(C)(C)CCN1CCN(CC1)C(=O)CCc2c(cc(C(=O)N3CCc4c([nH]c(C)n4)-c5ccccc35)cc2)C
+CC(C)(C)CCN=Cc1c(NCCN2CCOCC2)c(ccc1)F
+CC(C)(C)CCNC(C(CC(O)C(NC(=O)c1cc(O)cc(N2CCCC2=O)c1)Cc3ccccc3)C)=O
+CC(C)(C)CCNC(Nc1c(F)cc(C)c(-c2c(nc3nc(NC(C)=O)ncc3c2)C)c1)=O
+CC(C)(C)CCNC(Nc1c(F)cc(c(c1)-c2c(nc3cc(NC)ncc3c2)C)F)=O
+CC(C)(C)CCc1c(cc(C(C)=O)cc1)Cl
+CC(C)(C)CN1C(=O)N(C)C(=O)C=C1N
+CC(C)(C)CN1c2ccc(Cl)cc2C(c3cccc(c3OC)OC)OC(C1=O)Cc4noc(CCCCC(=O)OC)n4
+CC(C)(C)CN1c2ccc(cc2C(SC(Cc3nnn[nH]3)C1=O)c4cccc5ccccc45)Cl
+CC(C)(C)CNC(Cn1ncc2cc(ccc12)-c3cc(C(NC4CC4)=O)cc(F)c3C)=O
+CC(C)(C)CNC(c1ccc(-c2cc(C(=O)NCC(O)C)cc(F)c2C)c(C(=O)N)c1)=O
+CC(C)(C)CNCc1cc2c(cc1)n(c(NC(c3sc(C(F)F)cc3)=O)n2)CC4CCCN4C(=O)C(=CC(C)C)C#N
+CC(C)(C)CNS(=O)(=O)c1c(ccc(Oc2c(cc(cc2C)N)C)c1)OCc3ccccc3
+CC(C)(C)COC(NC1CN(CC1)c2nc(-c3c(cccc3)O)nc4c2ccc(c4)C)=O
+CC(C)(C)COS(=O)(=O)c1cc([N+]([O-])=O)ccc1C=Cc2ccc(cc2)[N+](=O)[O-]
+CC(C)(C)COc1ccc(cc1)N2C(=O)C(=C(CCC)N=C2CC)Cc3ccc(cc3)-c4c(C5=NOC(=O)N5)cccc4
+CC(C)(C)Cc1nc(C2(CC2)NCC(O)C(Cc3cc(F)cc(c3)F)N)cs1
+CC(C)(C)Cc1nc(ccc1-c2cc(ccc2F)OC)COc3c(F)ccc(C(CC(=O)O)C4CC4)c3
+CC(C)(C)Cc1nc2cc(ccc2n1CC3CC3)CSC(C)C
+CC(C)(C)Cc1onc(c1)-c2c(C3CC3)c(no2)C(CC(Nc4ccc(Cl)cc4Cl)=O)CCC(O)=O
+CC(C)(C)N(C(=O)C(OCC)=O)CCCCCC#C
+CC(C)(C)N(C)CC=CC(N1Cc2sc3ncc(c(Nc4ccc(F)c(Cl)c4)c3c2CC1)C#N)=O
+CC(C)(C)N1C(C(=C(S1(=O)=O)c2ccccc2)NCCCOc3ccc[n+]([O-])c3)=O
+CC(C)(C)N1C(N(C2CCN(CC2)Cc3cnc(cc3)Oc4ccc(cc4)-c5[nH]nnn5)C(C1)c6ccccc6)=O
+CC(C)(C)N1CC(C1)Oc2cc(C)nc3c(c(nn23)-c4ccccc4Cl)-c5ccc(cc5)Cl
+CC(C)(C)N1CCC(CC1)N
+CC(C)(C)NC(=O)C(c1cn(c(C(Nc2cc(c(F)cc2)C)=O)c1)C)=O
+CC(C)(C)NC(=O)C1(CCN(CC1)C2CCCN(CC2)C(OCC)=O)F
+CC(C)(C)NC(=O)CC1CCN(CC1)c2nc(ccc2NC(=O)c3cc(Cl)ccc3)S(=O)(=O)C
+CC(C)(C)NC(=O)c1c[nH]c2c1nc(Nc3cnc(C)cc3)cn2
+CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)Br
+CC(C)(C)NC(=O)c1n2CCNCc2nn1
+CC(C)(C)NC(=O)c1ncc(Oc2ccc(Nc3ncnc4c3n(CCO)cc4)cc2Cl)cc1
+CC(C)(C)NC(N1Cc2c(C(=O)N)c(c(Br)n2CC1)-c3cc(ccc3)F)=O
+CC(C)(C)NC(N1Cc2n(cc(-c3ccccc3)c2C(N)=O)CC1)=O
+CC(C)(C)NC(Oc1ccc(cc1)-c2c3c(n(C4CCCC4)n2)c(F)ccc3)=O
+CC(C)(C)NC(c1c(-c2ccccc2C)cc(nc1)N3CCOCC3)=O
+CC(C)(C)NC(c1cc(-c2ncc(C)cc2)n(-c3cccnc3)n1)=O
+CC(C)(C)NC(c1cc(CN2C(C)(C)CN(C(=O)c3cc(F)c(cc3)NC(NC4CCC4)=O)CC2)ccc1)=O
+CC(C)(C)NC(c1cncc(c1)Oc2c(cc(N)cc2)Cl)=O
+CC(C)(C)NC(c1sc2c(c(nc(n2)-c3ccccc3)-c4cc(ccc4)NC(=O)N(C)C)c1N)=O
+CC(C)(C)NC(c1sc2c(c1N)c(-c3cc(ccc3)NC(=O)N4CCSCC4)nc(n2)-c5ccccc5)=O
+CC(C)(C)NC1=Nc2c(cccc2-c3cc4C(NC(c4[nH]3)C)=O)C(=O)N1CC
+CC(C)(C)NCC(O)COc1c(C=2CCC(=O)NN=2)cc(cc1)OC
+CC(C)(C)NCC(O)COc1cc(cc2c1cc(C(OCC)=O)[nH]2)C
+CC(C)(C)NCC(O)COc1cc2C(C=C(Oc2cc1)c3cc(c(cc3)O)O)=O
+CC(C)(C)NCC(O)COc1ccc(cc1C2=NNC(=O)CC2)NC(C)=O
+CC(C)(C)NCc1c(cc(cc1)-c2cnc3ccc(nn23)NCCCC)F
+CC(C)(C)NS(=O)(=O)c1c(-c2ccc(cc2)CN3C(CCCC)=NN(c4c(Cl)ccc([N+](=O)[O-])c4)C3=O)cccc1
+CC(C)(C)NS(=O)(=O)c1c(cccc1)-c2ccc(cc2)CN(CCCC)C(Cl)=O
+CC(C)(C)NS(=O)(=O)c1cccc2c(nsc12)NCCCNC(c3ccc(cc3)-c4ccc(cc4)OC)=O
+CC(C)(C)Nc1c(F)cc(c(N)n1)C#N
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(Nc3cc(-c4c[nH]nc4C(F)(F)F)ncn3)n1
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3ncnc(CC)c3
+CC(C)(C)Nc1c2c(C=CN(C2=O)CCO)cc(n1)Nc3ncnc(OC4CCN(CC4)CCOC)c3
+CC(C)(C)Nc1cc(nc(Nc2ccc(cc2)C3(CCC3)c4ncco4)n1)-c5ccccc5
+CC(C)(C)Nc1n(c2c(cc(c(c2)Cl)Cl)n1)C3CC(CO)C(O)C3O
+CC(C)(C)Nc1nccc2c(-c3ccnc(NC4CCCC4)n3)c(nn12)-c5ccc(cc5)F
+CC(C)(C)OC(=O)C(C(=O)O)CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CCCC=C
+CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1CCN
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(=O)OC(C2=NN(C(=O)N2CCC)Cc3ccc(cc3)C)C
+CC(C)(C)OC(=O)C(ON=C(c1cc(Cl)c(O)cc1)C(=O)NC2C3SCC(CSc4nnnn4C)=C(N3C2=O)C(=O)O)C
+CC(C)(C)OC(=O)C1CC(CN)CC1CC
+CC(C)(C)OC(=O)C1CN(CC1C(=NO)Cl)C(OC(C)(C)C)=O
+CC(C)(C)OC(=O)C=Cc1cc(c(cc1)O[Si](C)(C)C(C)(C)C)C2CCCC2
+CC(C)(C)OC(=O)C=Cc1ccc(cc1)-c2ccn(CC)n2
+CC(C)(C)OC(=O)CC(CNC)Nc1ccc(C#N)c(c1)Cl
+CC(C)(C)OC(=O)CC(Cc1cc(c(N)c(c1)C(F)(F)F)Cl)C(N2C(Cc3ccccc3)COC2=O)=O
+CC(C)(C)OC(=O)CC(N)C(NC)=O
+CC(C)(C)OC(=O)CCC(C(=O)N1CCN(CC1)C(=O)OC2CCC2)N
+CC(C)(C)OC(=O)CCCCC1=Cc2c(ccc(c2)-c3noc(n3)C4Cc5c(C4)cccc5)C(=O)N1c6ccc(cc6)F
+CC(C)(C)OC(=O)CCCOc1cccc(C)c1N(C(c2cc(c(cc2)Cl)Br)=O)C
+CC(C)(C)OC(=O)CCN1CC(c2ccc(cc2)Oc3ccccc3Cl)S(=O)CC1
+CC(C)(C)OC(=O)CN(CC(O)=O)CC
+CC(C)(C)OC(=O)CN(CCN1c2ccc(cc2SCC1)NC(=N)c3sccc3)C
+CC(C)(C)OC(=O)CN1C(C=C(C(C(=O)O)=C1)Nc2ccc(cc2F)I)=O
+CC(C)(C)OC(=O)CN1C(N(C)C=C([N+](=O)[O-])C1=O)=O
+CC(C)(C)OC(=O)CN1c2cccc(F)c2NCC1=O
+CC(C)(C)OC(=O)CN=CCC(C)(C)CCN=[N+]=[N-]
+CC(C)(C)OC(=O)CN=CCC(C)(C)c1ccc(o1)C
+CC(C)(C)OC(=O)COCCCCN(c1nc(c(-c2ccc(cc2)C)cn1)-c3ccc(cc3)C)C
+CC(C)(C)OC(=O)COc1c(C(OC)=O)sc2c1cc(cn2)NC(C)=O
+CC(C)(C)OC(=O)COc1c(c(ccc1)C(C)O)C
+CC(C)(C)OC(=O)COc1c(cc(Cl)cc1)C#Cc2ccc3c(S(=O)(=O)C(C)(C)C3O)c2
+CC(C)(C)OC(=O)Cc1cc(N2CCC3(CC2)C(=O)N(C(=O)N3CCc4ccc(cc4)OC)CC5CC5)ccc1
+CC(C)(C)OC(=O)Cn1c2cc(O)ccc2c(I)n1
+CC(C)(C)OC(=O)Cn1cc(c2cc(NC(=O)C3CCC(F)(F)C3)ccc12)C(=O)C
+CC(C)(C)OC(=O)N(C(C(Nc1ccc(OC)c(NS(=O)(=O)c2ccc(-c3ccc(C)o3)cc2Cl)c1)=O)C)C
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+CC(C)(C)OC(=O)N(C(C)C)C1CCNCC1
+CC(C)(C)OC(=O)N(C(C)Cc1cc2CCN(CC(OCC)=O)c2c(C#N)c1)CCOc3c(cccc3)OCC
+CC(C)(C)OC(=O)N(C(CCNC(=O)c1ccccn1)Cc2ccccc2)C
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)CCCc1cc2c(cc1)OC(CC)C2
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)Cc1c(cc(cc1OC)C(=NO)N)OC
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)Cc1c(cccc1)O
+CC(C)(C)OC(=O)N(C(OC(C)(C)C)=O)c1c2nn(CCC)c(CCCC=O)c2c3ccccc3n1
+CC(C)(C)OC(=O)N(C)C(C)CC=Cc1cc(cnc1)OC(C)C
+CC(C)(C)OC(=O)N(C)CC(COc1ccc(F)c(c1)Br)O
+CC(C)(C)OC(=O)N(C)CCON=C(c1[nH]c2c(c1)ccnc2)c3ccccc3
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)N
+CC(C)(C)OC(=O)N(C)c1cc(-n2c(N)c(cn2)C(=O)O)ncn1
+CC(C)(C)OC(=O)N(C1CC1)c2n3c(nc(c2)SCc4ccccc4)c(cn3)C=O
+CC(C)(C)OC(=O)N(C1CCC(CC1)C=O)C
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+CC(C)(C)OC(=O)N(CCC(c1ccc(cc1)N(C)c2ccc(cc2)OCc3ccccc3)C)C
+CC(C)(C)OC(=O)N(CCCCN(C)C)CCCN
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+CC(C)(C)OC(=O)N(CCN1CCN(CC1)CCSc2oc3c(C(F)(F)F)cccc3n2)CCCCCCC
+CC(C)(C)OC(=O)N(CCOCCn1c(nc2c1c3ccccc3nc2N)CCOC)C
+CC(C)(C)OC(=O)N(CCOc1ccc(cc1)N=C=S)CC
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+CC(C)(C)OC(=O)N(CCc1ccc2c(NC(=O)C(C)O2)c1)Cc3cc(ccc3)Cl
+CC(C)(C)OC(=O)N(CCc1ccccc1Cl)CCCSCCNCC(c2ccc(c3NC(Sc23)=O)O)O
+CC(C)(C)OC(=O)N(Cc1c(cccc1)NC(=O)c2ccc(N3CCCC3)cc2Cl)C(C)COS(=O)(=O)C
+CC(C)(C)OC(=O)N(Cc1cc(CCO)ccc1)CCc2ncccc2
+CC(C)(C)OC(=O)N(Cc1ccc(c(c1)F)-c2cc(ccc2)C(=O)N=CN(C)C)CCC(C)C
+CC(C)(C)OC(=O)N(Cc1ccc(cc1)C(=O)O)C(C)C
+CC(C)(C)OC(=O)N(Cc1ccccc1OC)CCc2c(cc([N+](=O)[O-])c(c2)OC)OC
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+CC(C)(C)OC(=O)N(c1c(C)c(C)ccc1)CCCC(=O)OC
+CC(C)(C)OC(=O)N(c1cc(c(OC(C)=O)c(c1C)C)C)C
+CC(C)(C)OC(=O)N(c1ccc(cc1)C#N)c2ccc(c(CBr)c2)Br
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+CC(C)(C)OC(=O)N(c1nc(c(cc1)C=O)F)Cc2cnc(OC)c(F)c2
+CC(C)(C)OC(=O)N1C(=O)OC2CCN(c3c(cncc3)NC(c4nc(ccc4N)-c5c(F)cccc5F)=O)CC12
+CC(C)(C)OC(=O)N1C(C(NC2(CC2C=C)C(=O)OCC)=O)CC(OC(=O)N3Cc4c(F)cccc4C3)C1
+CC(C)(C)OC(=O)N1C(C)(C)OCC1CC(C(C)C)C(c2cc3c(cc2)n(cc3CCCOC)C)OC(COC)=O
+CC(C)(C)OC(=O)N1C(C)CCC(C1)C(=O)CBr
+CC(C)(C)OC(=O)N1C(CC(F)(F)C1)CCC(=O)O
+CC(C)(C)OC(=O)N1C(CCC(C1)Oc2nccc(I)c2Cl)C
+CC(C)(C)OC(=O)N1C(CN(C(C1)CCl)Cc2ccccc2)C
+CC(C)(C)OC(=O)N1C(CN(c2c3c(cc(Cl)c(C4CC4)c3)ncn2)CC1)C(N)=O
+CC(C)(C)OC(=O)N1C(c2cc(F)cc(F)c2)COCC1=O
+CC(C)(C)OC(=O)N1C2CC(C1C(N3CCCC3C(=O)N)=O)CC2O
+CC(C)(C)OC(=O)N1C2CC2CC1CNCc3ccccc3
+CC(C)(C)OC(=O)N1C2CCC1CN(C2)c3ccnc(Nc4cc(C)c(C(OCC)=O)nc4)n3
+CC(C)(C)OC(=O)N1C2CCCCC2CC1c3[nH]nnn3
+CC(C)(C)OC(=O)N1C2CN(CC1CC2)c3cc4C(C(C(N(C(C)=O)c4cc3)C)C)Nc5ccccc5
+CC(C)(C)OC(=O)N1C2COCC2n3nc(-c4cc(Cl)c(cc4)F)c(c3C1)C(N)=O
+CC(C)(C)OC(=O)N1CC(C(=O)N2CC(CCC2)Cc3ccc(cc3)F)C(NC(Nc4cccc(C(C)=O)c4)=O)CC1
+CC(C)(C)OC(=O)N1CC(C(CC1)c2ccc(cc2)F)C(=O)O
+CC(C)(C)OC(=O)N1CC(C(F)(C1)CN(C(C2CC(Nc3c2cccc3)=O)=O)C4CC4)Cc5ccccc5
+CC(C)(C)OC(=O)N1CC(C(OC)CC1)COc2nnc(CCCC)c(-c3ccc(cc3)OC4CCCCC4)c2
+CC(C)(C)OC(=O)N1CC(C(O[Si](C)(C)C(C)(C)C)C1)CC
+CC(C)(C)OC(=O)N1CC(C)(C)NCC1C(C)C
+CC(C)(C)OC(=O)N1CC(C1)Oc2cc(cc(c2O)F)Cl
+CC(C)(C)OC(=O)N1CC(C1)c2c(OC)c(cc(c2C)Cl)C(C)Nc3c4ncn(c4ncn3)C5CCCCO5
+CC(C)(C)OC(=O)N1CC(C1)c2c(c(cc(c2F)Cl)C(O)C)OC
+CC(C)(C)OC(=O)N1CC(C1)c2cc(c(cc2)OCc3ccc(cc3)C4CC4)OC
+CC(C)(C)OC(=O)N1CC(CC(C1)O)CNc2c3c(nccn3)cc(-c4ccc(cc4)N5CCOCC5)n2
+CC(C)(C)OC(=O)N1CC(CC1)C(=O)C=CN(C)C
+CC(C)(C)OC(=O)N1CC(CC1)N(CCCN(C)C)c2ccc(c(Cl)c2)F
+CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)CCP(OCC)(OCC)=O
+CC(C)(C)OC(=O)N1CC(CC1C(N(C)C)=O)Nc2nc(nc3ccccc23)-c4ccccc4OC
+CC(C)(C)OC(=O)N1CC(CCC1)CI
+CC(C)(C)OC(=O)N1CC(CCC1)Nc2c(c(OC)nc(n2)SC)I
+CC(C)(C)OC(=O)N1CC(CCC1)Nc2c3c(nc(n2)Nc4ccc(cc4)N(C)C(=O)CC)n(C5OCCCC5)cn3
+CC(C)(C)OC(=O)N1CC(CCl)c2c1cc(c3ccccc23)NC(=O)OCC4c5ccccc5-c6ccccc46
+CC(C)(C)OC(=O)N1CC(COc2c(OC3CCCCC3)cccc2)CCC1
+CC(C)(C)OC(=O)N1CC(F)CC1C#N
+CC(C)(C)OC(=O)N1CC(NC(OCc2ccccc2)=O)C(C(Nc3ccccc3)=O)C1
+CC(C)(C)OC(=O)N1CC(OCC1)C(NCCc2cc(OC)c(NC(=O)Nc3ncc(C#N)nc3)cc2Cl)=O
+CC(C)(C)OC(=O)N1CC(OCC1)c2ccc(Br)c(c2)F
+CC(C)(C)OC(=O)N1CC(c2cc(OC)ccc2C1)CC#N
+CC(C)(C)OC(=O)N1CC2C(C1)CCC(Nc3c(cnc(n3)Cl)Cl)C2
+CC(C)(C)OC(=O)N1CC2CC(CC#N)CC(c3ccccc3OC)(O)C2C1
+CC(C)(C)OC(=O)N1CC2CN(Cc3ccccc3)c4c2c(ccc4Cl)CC1
+CC(C)(C)OC(=O)N1CC2c3c(cc(C(C)=O)cc3)C(C2)C1
+CC(C)(C)OC(=O)N1CC2c3c(cc(c(c3)N)N)C(C1)C2
+CC(C)(C)OC(=O)N1CCC(C(C1)CN)OC
+CC(C)(C)OC(=O)N1CCC(C)(C)c2ccc(cc12)N
+CC(C)(C)OC(=O)N1CCC(C1)COc2cc(Br)c(Cl)nc2C#N
+CC(C)(C)OC(=O)N1CCC(CC1)(C#N)c2ncccc2Br
+CC(C)(C)OC(=O)N1CCC(CC1)(C2CCCCC2)C=O
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+CC(C)(C)OC(=O)N1CCC(CC1)(N(Cc2c(cc3ncnc(c3c2)Nc4c(c(ccc4)Cl)F)OC)C)C(N)=O
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+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(Oc3ccc(C4CC4)cn3)ccc2
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(c([N+]([O-])=O)cc2F)F
+CC(C)(C)OC(=O)N1CCC(CC1)=Cc2cc(ccc2)Oc3ncc(C)cc3
+CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(Nc3n2nc4cc(C)cc(c34)Br)=O
+CC(C)(C)OC(=O)N1CCC(CC1)C2C(C2)COCc3ccc(SC)cn3
+CC(C)(C)OC(=O)N1CCC(CC1)C=2n3nc4c(c(ccc4)-c5c(OCC)cccc5)c3NC(C=2)=O
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+CC(C)(C)OC(=O)N1CCC(CC1)CCCCNC(c2cc3cnccc3[nH]2)=O
+CC(C)(C)OC(=O)N1CCC(CC1)CCCN2C(c3cccc(c3N=C2CBr)OC)=O
+CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCC(CC2)c3nc(no3)-n4nc(CC)c5c4cccc5
+CC(C)(C)OC(=O)N1CCC(CC1)CN(C(OC(C)(C)C)=O)C2CC2c3ccc(cc3)C4CC4
+CC(C)(C)OC(=O)N1CCC(CC1)CN(Cc2ccc(cc2)Cl)C(C)=O
+CC(C)(C)OC(=O)N1CCC(CC1)CNC(c2cc(C)n(Cc3cc(Cl)cc4cc(oc34)-c5ccc(cc5)Cl)n2)=O
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+CC(C)(C)OC(=O)N1CCC(CC1)OCC#N
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+CC(C)(C)OC(=O)N1CCC(CC1)Oc2c(c3ccncc3cc2)[N+]([O-])=O
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+CC(C)(C)OC(=O)N1CCC(Oc2c3c(cccc3cc(C=4NNC(=O)N=4)n2)Cl)C1
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+CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)C(N)=S
+CC(C)(C)OC(=O)N1CCC2(CC1)CC(N(C2)c3ccc(-n4nnnc4)c(c3)F)=O
+CC(C)(C)OC(=O)N1CCC2(CC1)CC2C(N)=O
+CC(C)(C)OC(=O)N1CCC2(CC1)c3c(cccc3)C(=NC(C)c4ccccc4)CC2
+CC(C)(C)OC(=O)N1CCC2(CC2)CC1C(O)=O
+CC(C)(C)OC(=O)N1CCC2CN(CCC12)c3c(Cl)c(cc(C#N)c3)N
+CC(C)(C)OC(=O)N1CCCC(C(c2cc(ccc2C)F)OCC#N)C1
+CC(C)(C)OC(=O)N1CCCC(C1)C(CCCCOC)(O)c2ccccc2Oc3ccccc3
+CC(C)(C)OC(=O)N1CCCC(C1)Nc2c(c(OC)nc(N3CCOCC3)n2)-c4sc5c(n4)cc(cc5)C6CC6
+CC(C)(C)OC(=O)N1CCCC(C1)Nc2nc(N3CCOCC3)nc(OC)c2-c4nc5cc(Br)ccc5s4
+CC(C)(C)OC(=O)N1CCCC(N(C)c2ncc(C#N)c3sc(Br)cc23)C1
+CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC(N)=O
+CC(C)(C)OC(=O)N1CCCC1CNCCC
+CC(C)(C)OC(=O)N1CCCCC1C(=O)NC(C=CC(=O)N2CCc3c2cccc3)CC
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+CC(C)(C)OC(=O)N1CCN(CC1)C2Cc3c(ccc(N4C(c5c(C4=O)cccc5)=O)c3)CC2
+CC(C)(C)OC(=O)N1CCN(CC1)C=2C(=O)N(CCOc3c(cc(F)c(F)c3)F)c4ccccc4N=2
+CC(C)(C)OC(=O)N1CCN(CC1)CCc2ccc(C#N)c(c2)OC(F)F
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c(C(O)=O)c3c(nc2-c4ccccc4)cccc3
+CC(C)(C)OC(=O)N1CCN(CC1)Cc2c3OC(=Cc4c[nH]c5c4cccc5)C(=O)c3cc(Cl)c2O
+CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2cc(ccc2Cl)C(N(C)C)=O
+CC(C)(C)OC(=O)N1CCN(CC1)c2c(F)c(F)c(S(=O)(=O)C3CC3)cc2
+CC(C)(C)OC(=O)N1CCN(CC1)c2c3c([nH]c2)cccn3
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(c(cc2)NC(=O)c3ccc(o3)C#N)-n4c(C)ccc4C
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc3C(C=C(c4nc5cc(C)ccn5c4)Oc3cc2)=O
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(c(c2)[N+]([O-])=O)Sc3ccccc3
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc3c(c2)cc(C(OCC)=O)o3
+CC(C)(C)OC(=O)N1CCN(CC1)c2nc(C(=O)c3cccnc3N)c4c(cccc4)c2
+CC(C)(C)OC(=O)N1CCN(CC1CCOc2c(cccc2)F)C(OCc3ccccc3)=O
+CC(C)(C)OC(=O)N1CCOC(C1)CNc2c3c(cc(-c4cn(nc4)C)n2)nccn3
+CC(C)(C)OC(=O)N1CCOC(Cc2cc(COC)ccc2)C1
+CC(C)(C)OC(=O)N1CCOC2C1CCN(c3cc(cc(c3Cl)N)C#N)C2
+CC(C)(C)OC(=O)N1CCOc2c(ccc(O)c2)C1
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+CC(C)(C)OC(=O)N1CCc2c(C1)n(c3c2ccc(N4C=CC(=CC4=O)c5ccc(cc5)Cl)c3)C
+CC(C)(C)OC(=O)N1CCc2c(nc3ccnn3c2N4C(COC)CC4)CC1
+CC(C)(C)OC(=O)N1CCc2cc(c(cc2CC1)OC)NS(=O)(=O)c3ccc(cc3)-c4sc(cc4)Cl
+CC(C)(C)OC(=O)N1Cc2c(CC1)c3c(ccc(N4C=CC(=CC4=O)OCc5ccccc5)c3)n2C
+CC(C)(C)OC(=O)N1Cc2c(c(c(C#N)n2CC1)-c3cccc(c3)F)C(=O)O
+CC(C)(C)OC(=O)N1Cc2c(c(nn2CC1)-c3cc(F)ccc3)C#N
+CC(C)(C)OC(=O)N1Cc2c(cc(cn2)Br)C1
+CC(C)(C)OC(=O)N1c2c(C3(CCN(CC3)Cc4ccccc4)C1)c(ccc2)C(C)O
+CC(C)(C)OC(=O)N1c2c(CCC1)ccc(C(N)C)c2
+CC(C)(C)OC(=O)N1c2c(c3c(cccc3)c(c2)NC(=O)OCC(SSc4ccccn4)C)C(CCl)C1
+CC(C)(C)OC(=O)N1c2c(cccc2CCC1)C=CC(OC)=O
+CC(C)(C)OC(=O)N1c2cc(Cl)ccc2C(=Cc3c(ccc(c3)Cl)OCC4(COC4)C)C1=O
+CC(C)(C)OC(=O)N=C1NC(=O)N(CCC(F)CN=[N+]=[N-])C=C1
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+CC(C)(C)OC(=O)NC(C(=O)N1C(CC)CN(CC1)C(Cc2ccc3ccccc3c2)C(NC)=O)Cc4ccc(cc4)Cl
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+CC(C)(C)OC(=O)NC(C(=O)N1C(CCC1)C(=O)N)C2CCC(CC2)NC(=O)OCc3ccccc3
+CC(C)(C)OC(=O)NC(C(=O)N1CCN(CC1)C(C(CC(C)C)NC(=O)c2sc3c(cccc3)c2)=O)CO
+CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)CCCCN(CC(CCl)O)C(OCc1ccccc1)=O
+CC(C)(C)OC(=O)NC(C(C)C)C(=O)N(CC(=O)O)CC1CCCCC1
+CC(C)(C)OC(=O)NC(C(C)C)C(N1CC(N(CC1)C(=O)c2ccc(cc2)Cl)C(=O)O)=O
+CC(C)(C)OC(=O)NC(C(NCCc1cc(OC)c(O)cc1)=O)C(C)C
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+CC(C)(C)OC(=O)NC(C)COc1ccc(cc1)C#Cc2ncc(cc2)OCC3CC3
+CC(C)(C)OC(=O)NC(C)c1cccc(Oc2c(NCCCC(=O)OCC)ccc(c2)Cl)c1
+CC(C)(C)OC(=O)NC(C1CN(c2c(C)c3c(C(N(N)C(=O)N3C4CC4)=O)cc2F)CC1)c5occn5
+CC(C)(C)OC(=O)NC(CC#CC)CNc1cccc(c1)Cl
+CC(C)(C)OC(=O)NC(CC=C(F)F)COc1cc2N(C(=O)c3c(-c2cc1Br)ccnc3C)C
+CC(C)(C)OC(=O)NC(CCC)(C)CNC(=O)c1c(C)nn2c(cc(cc12)C)OCc3c(F)cccc3Cl
+CC(C)(C)OC(=O)NC(CCCCNC(c1cc(C(=O)C)ccc1OCC#C)=O)C(=O)N
+CC(C)(C)OC(=O)NC(CCNC(=O)OC(C)(C)C)CN
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+CC(C)(C)OC(=O)NC(CO)CC1(CC1)CCOCc2ccccc2
+CC(C)(C)OC(=O)NC(COS(=O)(=O)C)c1cc([N+]([O-])=O)ccc1
+CC(C)(C)OC(=O)NC(COc1cc(on1)C(=O)Nc2cc(ccc2O)O)C
+CC(C)(C)OC(=O)NC(COc1ccc-2c(OCc3cnc(cc-23)NC(=O)C)c1F)CC(C)C
+CC(C)(C)OC(=O)NC(Cc1c(F)ccs1)C(NC2(CC2c3ccccc3)C#N)=O
+CC(C)(C)OC(=O)NC(Cc1cc(ccc1)OCCCOS(=O)(=O)C)C2OC(=O)N(Cc3cc(ccc3)C(C)C)C2
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccc(cc2)C(=O)OC)C=NO
+CC(C)(C)OC(=O)NC(Cc1ccc(cc1)OCc2ccccc2)C(CC(Cc3ccc(cc3)OC)C(=O)O)O
+CC(C)(C)OC(=O)NC(Cc1ccccc1)CNc2ccccc2
+CC(C)(C)OC(=O)NC(c1cccc(c1)F)CC(O)=O
+CC(C)(C)OC(=O)NC(c1ccccc1)COc2ccc(N)c(N)c2
+CC(C)(C)OC(=O)NC1(CC1)C2CCCCN2
+CC(C)(C)OC(=O)NC1(CC1)CC(=O)O
+CC(C)(C)OC(=O)NC1(CC1)c2ccnc(Br)c2
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(c4C(=O)N(C(N5CCC(CC5)O)=Nc4o3)C)-c6ccccc6
+CC(C)(C)OC(=O)NC1(CCC1)c2ccc(cc2)-c3c(n4nc(ccc4n3)C(=O)OC)-c5ccccc5
+CC(C)(C)OC(=O)NC1(CCN(CC1)C(OCC)=O)CCN
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc(C)c(cc3)C#N)=O
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3cc(F)c(cc3)F)=O
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(C#N)Cc2ccc(cc2)-c3ccc4c(N(C(CO4)=O)C)c3)=O
+CC(C)(C)OC(=O)NC1(CCOCC1)C(NC(Cc2ccc(cc2)-c3cc(C#N)c(F)cc3)C(=O)N)=O
+CC(C)(C)OC(=O)NC1C(=O)N(c2ccc(cc2)OCc3c(cccc3F)F)CC1
+CC(C)(C)OC(=O)NC1C(C)CC(CCC=CC2C(NC(C3N(CC(O)C3)C1=O)=O)(C(NS(=O)(=O)C4CC4)=O)C2)C
+CC(C)(C)OC(=O)NC1C(CC(O)C1)C(OC)=O
+CC(C)(C)OC(=O)NC1C(CCCC1)Nc2cc(Nc3nc(cc(C)c3)C)c(nn2)C(N)=O
+CC(C)(C)OC(=O)NC1C(CCN(C1)C(c2cc(c3c(c2)nc(-c4cc5cccnc5n4CC6CC6)n3C)OC)=O)O
+CC(C)(C)OC(=O)NC1C2(CC2)CN(C1)c3c(cc(c(F)c3OC)C(O)=O)F
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+CC(C)(C)OC(=O)NC1CC(N(C1)C(=O)CN(C(=O)OC(C)(C)C)C)C(=O)O
+CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCN(CC2)c3c4cc(ccc4on3)F
+CC(C)(C)OC(=O)NC1CCC(CC1)CNc2nc(NCc3c(I)cccc3)ncc2[N+](=O)[O-]
+CC(C)(C)OC(=O)NC1CCC(CC1)N(c2c(c(C(=O)NCc3c(cc(C)nc3OC)CCC=C)ccc2)CC=C)CC
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+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(c2)Nc3nc4c(cn3)ncn4-c5ccc(cc5)OCC
+CC(C)(C)OC(=O)NC1CCC(CC=Cc2c3c(ccc(OC)c3F)ncc2Cl)OC1
+CC(C)(C)OC(=O)NC1CCCC1C=C
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(c[nH]c3ncc2Cl)NC(CC)=O)C1
+CC(C)(C)OC(=O)NC1CCCN(c2c3c(ncc2Cl)[nH]cc3NC(C4CCCC4)=O)C1
+CC(C)(C)OC(=O)NC1CCCc2c1sc(-c3c(c4c(C(NC(=O)N4C5CC5)=O)cc3F)C)c2
+CC(C)(C)OC(=O)NC1CCOCC1COc2ccc(cc2)-c3ccc(C#N)cn3
+CC(C)(C)OC(=O)NC1CCSC2N(C(CCC2)C(NCCC)=O)C1=O
+CC(C)(C)OC(=O)NC1CN(c2c(NC(=O)c3ccc4cc(oc4n3)C5CC5C)cncc2)CC(C)C1
+CC(C)(C)OC(=O)NC1CN(c2c3c(NC(c4cc(F)ccc4)=O)c[nH]c3ncc2Br)CCC1
+CC(C)(C)OC(=O)NC1CN(c2c3c(OCC3)ncc2N)CC(C1(C)O)C
+CC(C)(C)OC(=O)NC1CN(c2ccncc2NC(c3nc4c(csc4cc3)Br)=O)CC(C)C1
+CC(C)(C)OC(=O)NC1COC(=O)C(CC)C(C(C)OC1=O)OC(=O)C(C)C
+CC(C)(C)OC(=O)NC1c2nc(ccc2)-c3c(cnn3C)NC(C(C)C=CC1)=O
+CC(C)(C)OC(=O)NC=1COCC(c2cccc(Br)c2)(N=1)C
+CC(C)(C)OC(=O)NCC(C(Nc1cc(c(C(=O)N)cc1)F)=O)c2ccc(cc2)COC(c3c(C)cc(cc3)C)=O
+CC(C)(C)OC(=O)NCC(C)(C)COc1c2nc(ccc2ccc1)-c3nnc4cc(C)ccn34
+CC(C)(C)OC(=O)NCC(C)(C)NC(=O)c1ccc2c(nccc2-c3c(-c4cccc(n4)C)nn5CCCc35)c1
+CC(C)(C)OC(=O)NCC(CCOc1ccc(cc1)C#N)OS(=O)(=O)C
+CC(C)(C)OC(=O)NCC(CN(C)S(=O)(=O)c1c(cc(cc1)Cl)Cl)O
+CC(C)(C)OC(=O)NCC(COCC)N
+CC(C)(C)OC(=O)NCC(NC(c1c[nH]c2c1cc(cc2)Cl)=O)c3c4cc(Cl)ccc4[nH]c3
+CC(C)(C)OC(=O)NCC(Nc1cc(c(C=O)cc1)Cl)=O
+CC(C)(C)OC(=O)NCC(c1c(C)cccc1C)COCc2c(F)cccc2F
+CC(C)(C)OC(=O)NCC(c1c([nH]c2c1cc(C(C)(C)C(N(CC)CC)=O)cc2)-c3cc(C)cc(C)c3)C
+CC(C)(C)OC(=O)NCC(c1nnc2cc(-c3ccnc(n3)Nc4n(C)ncc4)cc(F)n12)Cc5cnc(OC)cc5
+CC(C)(C)OC(=O)NCC1(C#N)C(C(C)C)C1
+CC(C)(C)OC(=O)NCC1=C(c2c(ccc(OCC(=O)N)c2)C(=O)N1CC(C)C)OCCCC
+CC(C)(C)OC(=O)NCC1CCC(CC1)c2ccc(cc2)NC(=O)C(NN)=O
+CC(C)(C)OC(=O)NCC1CCN(Cc2c(Cl)c(Cl)ccc2)C1
+CC(C)(C)OC(=O)NCC1CN(C1)c2c(cc(C(=O)OCC)c(n2)C)C#N
+CC(C)(C)OC(=O)NCC1OC(=O)N(c2cc3CCOC(=O)N(c3cc2)C)C1
+CC(C)(C)OC(=O)NCC1Oc2c(Cl)cc(cc2C1O)Br
+CC(C)(C)OC(=O)NCC=1N(CC(C)C)C(=O)c2c(C=1OCCCC)cc(cc2)-c3sc(c(C)n3)C#N
+CC(C)(C)OC(=O)NCCC(c1cc(ccc1)OCc2ccncc2)O
+CC(C)(C)OC(=O)NCCCCS(=O)(=O)NC
+CC(C)(C)OC(=O)NCCCCc1ccc(cc1)OCCN
+CC(C)(C)OC(=O)NCCCN1c2c(-c3nn(Cc4ccccc4)c(c3C1=O)C)cc5CCCCc5c2
+CC(C)(C)OC(=O)NCCCNC(=O)c1cnc(Nc2ccc(cc2)C(=O)N)nc1NCCC
+CC(C)(C)OC(=O)NCCCNC(C(C)C)C1=Nc2nc3c(cccc3)nc2C(=O)N1Cc4ccccc4
+CC(C)(C)OC(=O)NCCCOCCOCCOCCCNC(c1ccc(cc1)C#CC#N)=O
+CC(C)(C)OC(=O)NCCCOc1c2c(CCCC2)c(C=CCCN=[N+]=[N-])cc1
+CC(C)(C)OC(=O)NCCN(C(=O)c1ccccc1)Cc2ccc(OCc3ccccc3F)c(c2)OC
+CC(C)(C)OC(=O)NCCN(Cc1cn(C2OCCCC2)nc1I)C
+CC(C)(C)OC(=O)NCCN(Cc1cncn1-c2ccc(cc2)C#N)C
+CC(C)(C)OC(=O)NCCN1CCN(CC1)c2ccc(cc2)[N+]([O-])=O
+CC(C)(C)OC(=O)NCCNS(=O)(=O)c1c2c(cc(-c3ccccc3)c1)cncc2
+CC(C)(C)OC(=O)NCCOCCNC(c1cnccc1)=O
+CC(C)(C)OC(=O)NCCOCCOc1cc(N)ccc1
+CC(C)(C)OC(=O)NCCOCCOc1ccc(cc1OC)N
+CC(C)(C)OC(=O)NCCONC(=O)C1N2C(=O)N(O)C(CC1)C2
+CC(C)(C)OC(=O)NCCSCCCn1ncc(-c2nc(C(=O)OC)ccc2)c1
+CC(C)(C)OC(=O)NCCc1ccc(cc1)-c2csc(NC(C)=O)n2
+CC(C)(C)OC(=O)NCCc1ccc2c(c1)N(C)C(C(C)(C)C(=O)N2CC)=O
+CC(C)(C)OC(=O)NCCn1c2c(c(nc(c2C)C)Oc3ccccc3)nc1C
+CC(C)(C)OC(=O)NCc1c2C(N(C3C(=O)NC(CC3)=O)C(C)=Nc2ccc1)=O
+CC(C)(C)OC(=O)NCc1ccc(CO)c(Cl)c1
+CC(C)(C)OC(=O)NCc1ccc(cc1)-n2c3ccccc3c(Cl)c2C#N
+CC(C)(C)OC(=O)NCc1ccc(cc1)N2C(OC(C2)C(N3CCN(CC3)CCC(=O)O)=O)=O
+CC(C)(C)OC(=O)NCc1nc2C(=O)N(C(=O)N(C)c2[nH]1)CCCCC(C)OS(=O)(=O)C
+CC(C)(C)OC(=O)NCc1ncc(C(=O)N(Cc2ccccc2)C)c3cc(OC)cc(OC)c13
+CC(C)(C)OC(=O)NN(C1CCOCC1)c2nc(ncc2Br)C#N
+CC(C)(C)OC(=O)Nc1c(Br)c(OC)c(c(OC)c1)CN2CCOCC2
+CC(C)(C)OC(=O)Nc1c(C)nn(-c2cnccc2)c1
+CC(C)(C)OC(=O)Nc1c(F)cc(cc1)-c2ccc3c(n[nH]c3c2F)N
+CC(C)(C)OC(=O)Nc1c(I)nc(CO)cc1C
+CC(C)(C)OC(=O)Nc1c(N)cc(-n2cccc2)c(OCCOC)c1
+CC(C)(C)OC(=O)Nc1c(N2C(CC(COCc3ccccc3)C2)=O)nn(C)c1
+CC(C)(C)OC(=O)Nc1c(cc(-c2ccc(cc2)OC)cc1)NC(=O)CC(=O)c3cccc(C#N)c3
+CC(C)(C)OC(=O)Nc1c(cc(cn1)-c2ccccc2)C=O
+CC(C)(C)OC(=O)Nc1c(nc(-c2c(F)cc(cc2F)C3CCOCC3)s1)C(OCC)=O
+CC(C)(C)OC(=O)Nc1c(nc(cc1)Cl)C=O
+CC(C)(C)OC(=O)Nc1c(nn(-c2cnccc2)c1)Cl
+CC(C)(C)OC(=O)Nc1c2CCCC(=O)c2sc1
+CC(C)(C)OC(=O)Nc1cc(Nc2c(cnc(n2)Nc3ccc(OCCOC)c(OCc4ccccc4)c3)F)ccc1
+CC(C)(C)OC(=O)Nc1cc(ccn1)CCc2cc(ccc2)Nc3nc(ncc3F)Cl
+CC(C)(C)OC(=O)Nc1ccc(OCc2ccccc2C(OC)=O)cc1NCc3ccc(cc3Cl)-c4ccccc4
+CC(C)(C)OC(=O)Nc1ccc(c(c1)CC(OCC)=O)Cl
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2c3c([nH]n2)ncnc3Nc4cc(Cl)ccc4
+CC(C)(C)OC(=O)Nc1ccc(cc1)N2CC(CCCC)(CCCC)CS(=O)(=O)c3c2ccc(c3)OCC(=O)O
+CC(C)(C)OC(=O)Nc1ccc(cc1)Sc2ccc(C(=O)O)cc2Nc3c4c(cc(cc4)C(C)C)ncn3
+CC(C)(C)OC(=O)Nc1ccc2c(c1[N+](=O)[O-])ccc(c2)Br
+CC(C)(C)OC(=O)Nc1cccc(OCOC)c1
+CC(C)(C)OC(=O)Nc1nc2c(s1)cc(Cn3ccnc3)cc2-c4cccc([N+](=O)[O-])c4
+CC(C)(C)OC(=O)Nc1ncc(cn1)-c2nc(c3ncc(cc3n2)-c4ccc(cc4)C(=O)NC5CC5)N6CCOCC6
+CC(C)(C)OC(=O)Nc1ncc(cn1)-c2nc3c(ncc(-c4cccc(NC(=O)CCl)c4)c3)c(N5CCOCC5)n2
+CC(C)(C)OC(=O)Nc1nnc(-c2ccc3cnc(F)cc3c2)s1
+CC(C)(C)OC(=O)Nc1onc(c1)-c2cc(-c3ccc(cc3)C(=O)N4CCN(CC4)C(C5(CC5)O)=O)ccc2
+CC(C)(C)OC(=O)Nc1sc2ccc(nc2c1C(O)=O)-c3ccccc3
+CC(C)(C)OC(=O)Oc1cc(c(cc1)-c2c(ccc(OC)c2)F)C#CC(C)(C)OC
+CC(C)(C)OC(=O)c1cc(C2CC2)c(OCC3(CCC(CC3)O)C)cc1F
+CC(C)(C)OC(=O)c1ccc(cc1)-c2ccc(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2
+CC(C)(C)OC(=O)c1ccc2c(CCC2Nc3cc(C(OC)=O)nc4ccnn34)c1C
+CC(C)(C)OC(=O)n1c(-c2c(Cl)nc3ccccc3c2)cc4c1ccc(c4)C(=O)C
+CC(C)(C)OC(=O)n1c(C(=O)OC)c(c2ccc(Cl)cc12)NCC(c3ccc(c(c3)F)F)=O
+CC(C)(C)OC(=O)n1c(c(cc1C(=O)OC)Br)C(C)C
+CC(C)(C)OC(=O)n1c(ccc1-c2cc(OC(COC)C)cc(c2)Oc3ccc(cc3)S(=O)(=O)C)C(=O)OCC
+CC(C)(C)OC(=O)n1c2c(c(n1)NC(c3ccc(cc3)N4CCN(CC4)C)=O)ccc(OCCOCc5ccccc5)c2
+CC(C)(C)OC(=O)n1c2c(cc1C(OC)=O)cc(cc2[N+]([O-])=O)COC(=O)C
+CC(C)(C)OC(=O)n1c2c(nc1)c(C)c(N)cc2
+CC(C)(C)OC(=O)n1c2cc(Nc3ccccc3Cl)c(C)cc2c(n1)-c4ccccc4
+CC(C)(C)OC(=O)n1c2ccc(cc2cc1)Oc3nc(Nc4cccc(N)c4)ncc3
+CC(C)(C)OC(=O)n1c2cccc(C=CCO)c2cc1
+CC(C)(C)OC(=O)n1cc(C2(CCC2)C#N)c3cc(C(OC)=O)ccc13
+CC(C)(C)OC(=O)n1cc(CCCCCc2cn(nn2)CCNC(CCCCCCCCCCC)=O)nc1N
+CC(C)(C)OC(=O)n1cc(c2c1c(C(=O)OCC)cc(Br)c2)C3CC(C(C)C)SCC3
+CC(C)(C)OC(=O)n1nc(-c2ccccc2)c3ccc(Nc4ccccc4OC)cc13
+CC(C)(C)OC(=O)n1nc(c2c(N)ccc(Cl)c12)Cl
+CC(C)(C)OC(=O)n1ncc(CNc2cnc(C(C)C)cc2)c1
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(-c4cc(OCc5occn5)ccc4)nc6ccccc36)c2
+CC(C)(C)OC(=O)n1ncc2c1ccc(Nc3nc(nc4ccccc34)-c5cc(ccc5)NC(N6CCOCC6)=O)c2
+CC(C)(C)OC(=O)n1ncc2c1ccc(c2)N(C)c3nc(-c4cc(ccc4)OCC(=O)NC(C)C)ncc3
+CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(nc4cc(OC)c(O)cc34)-c5cc(ccc5)[N+](=O)[O-])ccc12
+CC(C)(C)OC(C(=O)O)c1c(ccc2ccccc12)OCc3ccccc3
+CC(C)(C)OC(C(=O)OC)c1c(-c2cc3CCCOc3cc2)sc(C)n1
+CC(C)(C)OC(C(=O)OC)c1c(C)nc2cc(-c3ccc4c(c3)CCCC4)nn2c1Cl
+CC(C)(C)OC(C(C)(C)Oc1cc(ccc1C(c2ccc(cc2)O)=O)OC)=O
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)C(OCC=2N(CCC)C(N(Cc3ccc(cc3)C)N=2)=O)=O)=O
+CC(C)(C)OC(C(C)(C)Oc1cccc(CC(NC2CCCCC2)=O)c1)=O
+CC(C)(C)OC(C(C)(C)Oc1cccc(CCCNc2oc3c(cccc3)n2)c1)=O
+CC(C)(C)OC(C(C)(C)Sc1nc(CCN(CCCCCCC)C(CC(C)=O)=O)cs1)=O
+CC(C)(C)OC(C(CCCCl)=Cc1cc(c(-n2cc(nc2)C)cc1)OC)=O
+CC(C)(C)OC(C(OC)=O)c1c(nc2c(Br)c(-c3ccccc3)nn2c1-c4cc(c5c(CCCO5)c4C)F)C
+CC(C)(C)OC(C)C1N(c2nc(nc(Cl)c2)NC(c3cc(on3)-c4ccc(cc4)Cl)C)C(=O)OC1
+CC(C)(C)OC(C1(CC1)Cc2cc(NC(=O)C(C3CCCC3)c4ccc(cc4)C=C)ccc2)=O
+CC(C)(C)OC(C1(CC1)Cc2cc(NC(C(c3ccc(cc3)CN4C(=O)c5c(cccc5)C4)C6CCCC6)=O)ccc2)=O
+CC(C)(C)OC(C1=C(c2c(C(N1C)=O)cc(CNS(=O)(=O)N(C)C)cc2)c3ccc(c(C)c3)C)C(=O)OC
+CC(C)(C)OC(C1CCC(N1C(CNC(Nc2cc(ccc2)C(C)C(O)=O)=O)=O)c3ccccc3)=O
+CC(C)(C)OC(CC(=O)CC(C=CC(c1nnnn1C)=C(c2ccc(F)cc2C)c3ccc(F)cc3C)O)=O
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2nc(CN(CCOC)CCOC)no2)=O
+CC(C)(C)OC(CC(CCCC1CCCCC1)c2onc(n2)CN(CC(=O)NC)C)=O
+CC(C)(C)OC(CC(CNCc1ccccc1)Nc2cc(Cl)c(cc2)C#N)=O
+CC(C)(C)OC(CC(c1nc(C(N2CCN(CC2)C)=O)no1)CCCC3CCCCC3)=O
+CC(C)(C)OC(CCNS(=O)(=O)c1cc2c(ncc(Cl)c2cc1)N=C(N)N)=O
+CC(C)(C)OC(CCOCCc1cc(CCN2CCC3(CC2)OCCN(C(c4nc(sc4)C(C)C)=O)C3)cs1)=O
+CC(C)(C)OC(CCc1c(CC)cc(cc1C)C(=NO)N)=O
+CC(C)(C)OC(CN(Cc1c(cccc1)C)S(=O)(=O)c2cc3c(cc2)c(cnc3Cl)Cl)=O
+CC(C)(C)OC(CN(Cc1cc(ccc1)-c2noc(-c3cc(c(-c4ccccc4C)cc3)COC)n2)C(C)C)=O
+CC(C)(C)OC(COCCOCCOCCOCCN)=O
+CC(C)(C)OC(COCCOc1cc2c(-c3ccc(cc3)C)c(CN)c(CC(C)C)nc2cc1)=O
+CC(C)(C)OC(COc1c(C#Cc2c(ccc(S(=O)(=O)N)c2)C)cc(Cl)cc1)=O
+CC(C)(C)OC(COc1c2c(ccc1)C(CCC2)NS(=O)(=O)c3cc(Br)c(nc3)Oc4c(cc(F)cc4)Cl)=O
+CC(C)(C)OC(COc1ccc(cc1-c2cc(F)cc(C#N)c2)CN(S(=O)(=O)c3ccc(cc3)F)C)=O
+CC(C)(C)OC(COc1ccc(cc1F)-c2nc(-c3cc(c(-c4ccccc4C)cc3)COC)on2)=O
+CC(C)(C)OC(COc1cccc(c1)Sc2cc(Nc3scc(n3)C)ncc2)=O
+CC(C)(C)OC(Cc1cc(Cl)c(cc1)OC2CC2)=O
+CC(C)(C)OC(Cn1c2c(c(C3CCCCC3)c1[Si](C)(C)C)cc(cn2)C(=O)OC)=O
+CC(C)(C)OC(Cn1c2c(c3ccccc13)CCN(C(=O)Nc4cc(ccc4)C)C2)=O
+CC(C)(C)OC(Cn1c2ccc(c(Cl)c2cc1C(F)F)C#N)=O
+CC(C)(C)OC(N(C(C)C)CCc1ccc(C=O)c(c1)O)=O
+CC(C)(C)OC(N(C)C(C(NO)=N)CCCC(O)C)=O
+CC(C)(C)OC(N(C)C1C(O)CCCC1)=O
+CC(C)(C)OC(N(C)CC(CC=C)c1ccc(cc1)F)=O
+CC(C)(C)OC(N(C)CCC1CCC(CC1)C(=O)O)=O
+CC(C)(C)OC(N(C)CCN1CCN(CC1)c2c(nccn2)Cl)=O
+CC(C)(C)OC(N(C)Cc1c(ccc(N)c1)N2CCOCC2)=O
+CC(C)(C)OC(N(C)Cc1cc([N+](=O)[O-])cc(F)c1SC(C)C)=O
+CC(C)(C)OC(N(C)Cc1ccccc1I)=O
+CC(C)(C)OC(N(C)c1cc(ccn1)CO)=O
+CC(C)(C)OC(N(C1C(O)C(CCC1)Nc2c(cnc(Cl)n2)-c3cn(C)nc3)C)=O
+CC(C)(C)OC(N(C1C(O)CNCC1)Cc2cc3c(OCCO3)cn2)=O
+CC(C)(C)OC(N(C1CC1)Cc2cc(C=CCOC)c(c(c2)Br)C)=O
+CC(C)(C)OC(N(C1CCN(C1)c2c3c4cc(ncc4n(c3ncc2Cl)COCC[Si](C)(C)C)C#N)CC)=O
+CC(C)(C)OC(N(C1CN(Cc2ccc3c(CCO3)c2)CC1)c4ncc(C=CC(=O)OCC)cc4)=O
+CC(C)(C)OC(N(CC#C)CCNC(C)C)=O
+CC(C)(C)OC(N(CC)Cc1c(c(Br)cnc1)C)=O
+CC(C)(C)OC(N(CC1(c2ccccc2)CC1C=O)C)=O
+CC(C)(C)OC(N(CC1C(C1)C(OCC)=O)C)=O
+CC(C)(C)OC(N(CC1CC1)C2CC2c3cc(ccc3)C(=O)Nc4cnn(CC)c4)=O
+CC(C)(C)OC(N(CC=O)C(COC)C=C)=O
+CC(C)(C)OC(N(CCC(=O)OCC)C(CC(OCC)=O)C)=O
+CC(C)(C)OC(N(CCC1CC1)Cc2ccc(c(F)c2)Oc3cc4c(cc3)C(OC(C)(C)O4)=O)=O
+CC(C)(C)OC(N(CCCc1nc(ccc1)Br)CC=O)=O
+CC(C)(C)OC(N(CCN(C)Cc1c2c(ccc(Oc3cc(Cl)ccc3)c2)n(C4OCCCC4)n1)C)=O
+CC(C)(C)OC(N(CCN(C)Cc1c2cc(Oc3ccc(cc3)N)ccc2n(C4OCCCC4)n1)C)=O
+CC(C)(C)OC(N(CCN(CC1=Nc2ccc(cc2C(N1c3ccccc3)=O)[N+](=O)[O-])C)C)=O
+CC(C)(C)OC(N(CCO)CC(c1ccc(cc1)[N+]([O-])=O)O)=O
+CC(C)(C)OC(N(CCO)CCN1CCSc2cc([N+](=O)[O-])ccc12)=O
+CC(C)(C)OC(N(Cc1c(C)c(N)ccc1)CC)=O
+CC(C)(C)OC(N(Cc1cc(cc(c1O)F)[N+](=O)[O-])C)=O
+CC(C)(C)OC(N(Cc1cc(ccc1)N)C(C)C(F)c2ccccc2)=O
+CC(C)(C)OC(N(Cc1cc(ccc1)OCC2OC2)C3CCCC3)=O
+CC(C)(C)OC(N(Cc1cc2c([nH]c(c2)C(=O)OC)nc1)Cc3cc(N)ccc3)=O
+CC(C)(C)OC(N(Cc1ccccc1)CC(=O)Nc2ccc(cc2)-c3nc(sc3)N(C)C)=O
+CC(C)(C)OC(N(Cc1ccccc1)CCc2ccc(cc2)Oc3ccc(cc3)NC(=O)c4ccccc4)=O
+CC(C)(C)OC(N(Cc1cn(S(=O)(=O)c2cnccc2)c(c1)-c3cccc(CO)c3F)C)=O
+CC(C)(C)OC(N(Cc1cn(c(-c2ccccc2)c1)S(=O)(=O)c3cccc(C(=O)N4CCOCC4)c3)C)=O
+CC(C)(C)OC(N(Cc1sc(C(=O)O)cc1)C)=O
+CC(C)(C)OC(N(c1c(CC)nn2c(cccc12)Br)CC3CC3)=O
+CC(C)(C)OC(N(c1c(OC)cc2C34CCCCC3C(N(CC4)C(OCc5ccccc5)=O)Cc2c1)C)=O
+CC(C)(C)OC(N(c1c2nc(C(F)(F)F)c(n2c(Br)cc1)Cl)C)=O
+CC(C)(C)OC(N(c1cc(Nc2nc(ncc2F)Nc3ccc(cc3)OCCOCOCCOC)ccc1)C)=O
+CC(C)(C)OC(N(c1ccc(cc1)-c2cn3c(nc(-c4cc(ccc4Cl)N)c3)nc2)C)=O
+CC(C)(C)OC(N(c1ccc(cc1)C#CCO)C)=O
+CC(C)(C)OC(N1C(C(=O)N2C(C#N)CCC2)C3CC1C(C3)O)=O
+CC(C)(C)OC(N1C(C(NC2(C(=O)NS(=O)(=O)C3(CC3)CCC)C(C2)CC)=O)CC4(C(C)(C)C45CCC5)C1)=O
+CC(C)(C)OC(N1C(C)(C)CCC1C(c2ccc(cc2)Cl)C(=O)N3CCC(CC3)c4c5C(C)CCc5ncn4)=O
+CC(C)(C)OC(N1C(C)(C)OC(C1CF)c2ccc(cc2)-c3ccc(nc3)CNCC)=O
+CC(C)(C)OC(N1C(C)(CC)CN(Cc2cc(nc3c2c(C)nn3C4CCCCO4)-c5ccc(cc5)O)C(C)(C)C1)=O
+CC(C)(C)OC(N1C(C)CCC(C(NOC(c2ccc(cc2)F)=O)=N)C1)=O
+CC(C)(C)OC(N1C(CCC1c2ccccc2)C(Nc3nc(cs3)-c4ccc(cc4)C(NC5CC5)=O)=O)=O
+CC(C)(C)OC(N1C(CCCC)CN(CC1)C(=O)c2cccc3ccccc23)=O
+CC(C)(C)OC(N1C(CCOC)CCC(C1)N(C(OCc2ccccc2)=O)C(C)C)=O
+CC(C)(C)OC(N1C(CN(CC1)c2ccc(N)c(n2)C)C)=O
+CC(C)(C)OC(N1C(CN(Cc2cnc(N(C)C(c3cnc(cc3)Oc4ccc(cc4)F)=O)cc2)CC1)C)=O
+CC(C)(C)OC(N1C(CN(c2nccnc2OCCO)CC1)C)=O
+CC(C)(C)OC(N1C(CN)CCC(C)(C)C1)=O
+CC(C)(C)OC(N1C(CO)Cc2c3ccccc3n(Cc4ccc(cc4)F)c2C1)=O
+CC(C)(C)OC(N1C(COc2cc(cnc2)CCc3cccc(CNS(=O)(=O)C)c3)CC1)=O
+CC(C)(C)OC(N1CC(C(=O)O)=C(c2ccc(cc2)OCc3onc(-c4c(F)ccc(F)c4Cl)c3)CC1)=O
+CC(C)(C)OC(N1CC(C(OCC1)c2ccc(Cl)c(c2)Cl)Cc3nc(C)on3)=O
+CC(C)(C)OC(N1CC(C(c2ccc(cc2)OCC(OCC)=O)CC1)OCc3ccc4c(cccc4)c3)=O
+CC(C)(C)OC(N1CC(C1)(CCF)n2cc(cn2)-c3nc(-c4cnn(C)c4)cc5nccn35)=O
+CC(C)(C)OC(N1CC(C1)NC(=O)CNc2c3cc(C(F)(F)F)cnc3ccn2)=O
+CC(C)(C)OC(N1CC(C1)OCC2CCN(CC2)c3ncc(cn3)CC)=O
+CC(C)(C)OC(N1CC(C1)Oc2cc3c(OCC4=NNC(=O)C(C)N34)cc2C(C)C)=O
+CC(C)(C)OC(N1CC(CC(C(=O)N2CCCC2)C1)N(C(c3n(c4c(cccc4)n3)CCCCOC)=O)CC(C)C)=O
+CC(C)(C)OC(N1CC(CC(C(N2CCOCC2)=O)C1)NS(=O)(=O)c3c(cccc3)[N+](=O)[O-])=O
+CC(C)(C)OC(N1CC(CC1C(N2CCN(CC2)c3nc(ccc3)C)=O)CCNC(=O)C=C)=O
+CC(C)(C)OC(N1CC(CC1C(N2CCNCC2)=O)N(C(C)=O)C3CCC(C)(C)CC3)=O
+CC(C)(C)OC(N1CC(CC1CN)NS(=O)(=O)c2c(ccc(Br)c2)OC)=O
+CC(C)(C)OC(N1CC(CCl)c2c3c(ccc12)ccc(S(=O)(=O)C)c3)=O
+CC(C)(C)OC(N1CC(CCl)c2c3cccnc3c(cc12)O)=O
+CC(C)(C)OC(N1CC(CNc2nc(Cl)cc3c2nccn3)N(CC1)C)=O
+CC(C)(C)OC(N1CC(N(CC1)c2c3c(COC3C)ncn2)C)=O
+CC(C)(C)OC(N1CC(N(c2c3CN(c4cc(C(C)C)ccc4C)CCc3nc(n2)-c5c(C)cccc5C)CC1C)C)=O
+CC(C)(C)OC(N1CC(N)CC1C(OCC)=O)=O
+CC(C)(C)OC(N1CC(NC(=O)c2ccc(s2)Cl)CC1CNC(=O)C)=O
+CC(C)(C)OC(N1CC(Nc2ccc(cc2)C3=C(OC)N=C4C=CC=CN4C3=O)CC1)=O
+CC(C)(C)OC(N1CC(Nc2ccc(cc2)C=3C(=O)N4C=CC=CC4=NC=3NC(C)C)CC1)=O
+CC(C)(C)OC(N1CC(OCc2cc(OCc3ccccc3)c4ccccc4c2)C(CC1)c5cccc(CF)c5)=O
+CC(C)(C)OC(N1CC2(C1)CC(C2)Nc3c(cnc(-c4cccc(c4)-c5cn(nc5)C)n3)-c6cnn(C)c6)=O
+CC(C)(C)OC(N1CC2(CC2)N(Cc3ccccc3)CCC1)=O
+CC(C)(C)OC(N1CC2C(C1)c3c(CO2)cc(O)cc3)=O
+CC(C)(C)OC(N1CC2CC(=O)Nc3cc(Br)ccc3N2CC1)=O
+CC(C)(C)OC(N1CC2CC1CN2c3nc(cc4nccn34)-c5cc(NCc6c7c(cccc7)ccc6)ncc5)=O
+CC(C)(C)OC(N1CCC(C(F)C1)NCc2ccccc2)=O
+CC(C)(C)OC(N1CCC(CC1)(C#N)CCSc2ccc(cc2)SC)=O
+CC(C)(C)OC(N1CCC(CC1)(CN(C(CCl)=O)CC)O)=O
+CC(C)(C)OC(N1CCC(CC1)(CNC2CC2c3ccccc3)COCC4CCC4)=O
+CC(C)(C)OC(N1CCC(CC1)(COc2cc(ccc2)OC)c3ccc(cc3)Br)=O
+CC(C)(C)OC(N1CCC(CC1)(N2CCC(CC2)NC3CCCCC3N)C)=O
+CC(C)(C)OC(N1CCC(CC1)(S(=O)(=O)C)c2cc(N3CCOCC3)nc(n2)Cl)=O
+CC(C)(C)OC(N1CCC(CC1)(c2cc3c(cnc(c3)-c4ccc(cc4)S(=O)(=O)C)o2)C)=O
+CC(C)(C)OC(N1CCC(CC1)(c2ccccc2)COCc3cc(cc(Br)c3)-c4ccc(cc4)F)=O
+CC(C)(C)OC(N1CCC(CC1)C#Cc2c(nc(C)nc2Cl)N)=O
+CC(C)(C)OC(N1CCC(CC1)C(F)CN2CCN(CC2)c3ccc(cc3)S(=O)(=O)C)=O
+CC(C)(C)OC(N1CCC(CC1)C(c2ccc(cc2)Br)Oc3cccc(Cl)n3)=O
+CC(C)(C)OC(N1CCC(CC1)C=CC(N2CCCC(C2)C(NC(C#C)CC(=O)OCCCCC)=O)=O)=O
+CC(C)(C)OC(N1CCC(CC1)CC(=NO)N)=O
+CC(C)(C)OC(N1CCC(CC1)CC(=O)N(C2CCNCC2)CC)=O
+CC(C)(C)OC(N1CCC(CC1)CC(Nc2cc(Oc3ccc(NC(Oc4ccccc4)=O)c(Cl)c3)ccn2)=O)=O
+CC(C)(C)OC(N1CCC(CC1)CCc2oc3ccc(cc3c2)S(=O)(=O)C)=O
+CC(C)(C)OC(N1CCC(CC1)CN2CCC(CC2)CNC(C3=Cc4c(C)cccc4N(C3=O)C(C)C)=O)=O
+CC(C)(C)OC(N1CCC(CC1)COC(C(c2cccc(c2)O)(c3ccccc3)O)=O)=O
+CC(C)(C)OC(N1CCC(CC1)COc2cccc(Oc3c(N)cc4c(c3)N(C(=O)N4C)C)c2)=O
+CC(C)(C)OC(N1CCC(CC1)N(c2ccc(cc2)SC)Cc3ccnc(-c4cc(OC)c(c(OC)c4)OC)c3)=O
+CC(C)(C)OC(N1CCC(CC1)NC2CCCCC2CN=[N+]=[N-])=O
+CC(C)(C)OC(N1CCC(CC1)NS(=O)(=O)c2ccc(cc2CBr)Br)=O
+CC(C)(C)OC(N1CCC(CC1)Nc2c(cc(cc2)Cl)CCC(=O)O)=O
+CC(C)(C)OC(N1CCC(CC1)Nc2cc(ccc2SCCI)[N+]([O-])=O)=O
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(ccn2)N(C)c3cc4n(C)cnc4c(c3)-c5ccccc5)=O
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc(cc2)N(Cc3ccc4c(cc(C#N)cc4)c3)C(=O)C5CCCCC5)=O
+CC(C)(C)OC(N1CCC(CC1)Oc2ncc(N)c3ccccc23)=O
+CC(C)(C)OC(N1CCC(CC1)c2oc3c(cc(cc3n2)-c4ccc(cc4F)S(=O)(=O)C)F)=O
+CC(C)(C)OC(N1CCC(CC1)n2cc(cn2)-c3cc(-c4ncc5c(cccc5)c4F)c(N)nc3)=O
+CC(C)(C)OC(N1CCC(CC1)n2cnc(C=O)c2)=O
+CC(C)(C)OC(N1CCC(CC1C(OC2CCCC2)=O)N)=O
+CC(C)(C)OC(N1CCC(NC(=O)Nc2ccc3c(n(-c4ccccc4)nc3SC)c2)C1)=O
+CC(C)(C)OC(N1CCC(Nc2nc(C=3NNC(=O)N=3)cc4ccc(Cl)cc24)C1)=O
+CC(C)(C)OC(N1CCC(c2ccc(cc2)-c3c(cc4c(c(C=O)c[nH]4)c3)Cl)C1)=O
+CC(C)(C)OC(N1CCC(c2nc3ccnn3c(c2)N)C1)=O
+CC(C)(C)OC(N1CCC2(CC1)CCC(CC2)Nc3nc(ncc3Cl)Nc4ncn(c4)C)=O
+CC(C)(C)OC(N1CCC2(CC1)COc3cc(ccc23)OCc4c(Cl)cccc4Cl)=O
+CC(C)(C)OC(N1CCC2(CC1)ON=C(C2)Cc3ccccc3)=O
+CC(C)(C)OC(N1CCC2(CC1)Oc3ccc(C=CC(NOC4OCCCC4)=O)cc3C(C2)=O)=O
+CC(C)(C)OC(N1CCC2Cc3c(C2C1)scc3)=O
+CC(C)(C)OC(N1CCCC(NC(=O)c2c(ncc(n2)-c3cc(ccc3)CO)N)C1)=O
+CC(C)(C)OC(N1CCCC(c2nc(-c3cc(C(C)C)c[nH]3)on2)C1)=O
+CC(C)(C)OC(N1CCCC(c2nc(C3CCCC3)on2)C1)=O
+CC(C)(C)OC(N1CCCC1C(=O)NC(Cc2ccccc2)C(=O)NC(CCCNC(N[N+]([O-])=O)=N)C(O)=O)=O
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCc3ccc(cc3)C(F)(F)F)=O
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)Oc3ccc(cc3)-c4cnccc4)=O
+CC(C)(C)OC(N1CCCN(c2nc3ccccc3n2CCn4ccnc4)CC1)=O
+CC(C)(C)OC(N1CCN(C(=O)OCc2ccccc2)CC1CCNc3ccc(cc3)C(=O)C)=O
+CC(C)(C)OC(N1CCN(C(C)C1)c2ncc(c(OCCN3CCOCC3)c2)Br)=O
+CC(C)(C)OC(N1CCN(CC1)C(=O)c2c3c(ccc2OC)cc(cc3)-c4cccc(OC)c4)=O
+CC(C)(C)OC(N1CCN(CC1)C(C)(C)C(=O)N2CCCC2)=O
+CC(C)(C)OC(N1CCN(CC1)C(Cn2ccc3c(nccc23)Nc4ncc(C#N)s4)=O)=O
+CC(C)(C)OC(N1CCN(CC1)CCCN2C(C(c3c(c(OC)cc(OC)c3Cl)Cl)=Cc4c2nc(nc4)SC)=O)=O
+CC(C)(C)OC(N1CCN(CC1)CCc2ccc(cc2)CCc3nc(NC(=O)C)sc3)=O
+CC(C)(C)OC(N1CCN(CC1)Cc2cc(-c3c4c(n(cn4)C5CCCCO5)nc(n3)C)c(nc2)F)=O
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)NC(c3ncnc(c3)N(CC4CC4)C5CCCCC5)=O)=O
+CC(C)(C)OC(N1CCN(CC1)NC(=O)c2cc3ccccc3n2Cc4noc(c4)-c5ccc(Cl)s5)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(-c3ccccc3)cnc4c2c(OC)nn4Cc5ccc(cc5)OC)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(OC)ccc(c2)NS(=O)(=O)c3cccc(c3)OC(F)F)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(ccc(NCc3ccccc3)c2CN)F)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(cccc2)-c3ccc(cc3)Cn4ccc5cc(F)ccc45)=O
+CC(C)(C)OC(N1CCN(CC1)c2c3c(nc(cc3)C)ncn2)=O
+CC(C)(C)OC(N1CCN(CC1)c2c3ccncc3cc(n2)-c4ccnc(NC5CCOCC5)c4)=O
+CC(C)(C)OC(N1CCN(CC1)c2cc(Br)cc3c2nc(cc3)C=O)=O
+CC(C)(C)OC(N1CCN(CC1)c2cc(NC(CNc3cc(c(cc3)F)F)=O)c(cc2)Cl)=O
+CC(C)(C)OC(N1CCN(CC1)c2cc(NC3CC3)n4ncc(c4n2)C=O)=O
+CC(C)(C)OC(N1CCN(CC1)c2cc(cc(C)n2)OCC)=O
+CC(C)(C)OC(N1CCN(CC1)c2cc3nc(-c4c(I)ccnc4OC)[nH]c3c(C)c2)=O
+CC(C)(C)OC(N1CCN(CC1)c2ccc(C(=O)OC)cc2I)=O
+CC(C)(C)OC(N1CCN(CC1)c2ccc3c(c(nn3CC(C)C)S(=O)(=O)c4c5c(ccc4)cccc5)c2)=O
+CC(C)(C)OC(N1CCN(CC1)c2n(-c3ccccc3Cl)c4c(N(C)C(N(C)C4=O)=O)n2)=O
+CC(C)(C)OC(N1CCN(CC1)c2nc(-c3cc(NC4CCCCC4)ncc3)c(-c5ccc(cc5)F)cc2)=O
+CC(C)(C)OC(N1CCN(CC1)c2nc(-c3ccsc3)cn4c2nnc4)=O
+CC(C)(C)OC(N1CCN(CC1)c2nc3c(c4ncnn24)c(c(Br)cc3)F)=O
+CC(C)(C)OC(N1CCN(CC1)c2ncc(Br)n3c2nnc3)=O
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cn2)OCc3cnc(nc3)NC(C(C)C)=O)=O
+CC(C)(C)OC(N1CCN(CC1)c2scc(n2)-c3c(c(F)ccc3)F)=O
+CC(C)(C)OC(N1CCN(CC1C(=O)c2oc3ccccc3c2)C)=O
+CC(C)(C)OC(N1CCOC(c2ccc(c(Cl)c2)Cl)C(CNS(=O)(=O)C)C1)=O
+CC(C)(C)OC(N1CCc2c(CC1)c(Cc3cccnc3)c(cc2)Cl)=O
+CC(C)(C)OC(N1CCc2c(CC1)c(Cl)c3N(C)CCCc3c2)=O
+CC(C)(C)OC(N1CCc2c(c3c(cccc3)n2CCNC(=O)Nc4ccccc4)CC1)=O
+CC(C)(C)OC(N1CCc2ccc(-c3noc(-c4cc(c(OC(C)C)cc4)C#N)n3)c(C)c2CC1)=O
+CC(C)(C)OC(N1CCn2c(C1)c(C=O)c3cc(OC)ccc23)=O
+CC(C)(C)OC(N1CCn2c(nc(c2C1)C(NC(CC(C)C)C(=O)NC)=O)Br)=O
+CC(C)(C)OC(N1Cc2c(c(-c3nn(C)nn3)c(NC(=O)C)s2)CC1)=O
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C(=O)C=C(c5ccc(cc5OC)Cl)C=C4)=O
+CC(C)(C)OC(N1Cc2c3ccc(cc3n(C)c2CC1)N4C(C=C(C=C4)c5ccc(F)cc5OC)=O)=O
+CC(C)(C)OC(N1Cc2n(CC1)c(Cl)cc2C(N)=O)=O
+CC(C)(C)OC(N1c2cc(Cl)ccc2C(=Cc3cc(ccc3OCC(OC)=O)Cl)C1=O)=O
+CC(C)(C)OC(N1c2ccc3cc(C#N)ccc3c2C(CCl)C1)=O
+CC(C)(C)OC(NC(C(=O)C=C)CC1CCCC1)=O
+CC(C)(C)OC(NC(C(=O)N1C(C(=O)NCCCc2ccccc2)CCC1)CCCN)=O
+CC(C)(C)OC(NC(C(=O)N1CCN(CC1)c2sc3cc(C(=O)O)ccc3n2)Cc4cccs4)=O
+CC(C)(C)OC(NC(C(=O)O)CCc1nc2cc(Cl)c(cc2n1CCC)Cl)=O
+CC(C)(C)OC(NC(C(=O)OC)C1CCC(CC1)N2C(=O)c3cccnc3C2)=O
+CC(C)(C)OC(NC(C(=O)OC)CCN(C)CCOC)=O
+CC(C)(C)OC(NC(C(=O)OC)CSCc1ccc(cc1)-c2cc(ccc2)CN3c4cc(ccc4CCC3)C(F)(F)F)=O
+CC(C)(C)OC(NC(C(=O)OC)Cc1ccc(cc1)C2=CC(Cl)=CN(Cc3ccccc3)C2=O)=O
+CC(C)(C)OC(NC(C(=O)c1ccccc1)CC)=O
+CC(C)(C)OC(NC(C(Nc1ncccc1C(=O)c2ccc(cc2)F)=O)c3sccc3)=O
+CC(C)(C)OC(NC(C(O)=O)Cc1c2c(cccc2)n(c1)CC(OCC)=O)=O
+CC(C)(C)OC(NC(C(O)CC(C)C(=O)NCC(C)(C)C)CN1CC(=O)N(CC1(C)C)c2cc(F)ccc2Cl)=O
+CC(C)(C)OC(NC(C)(C)C(Nc1cccc(NS(=O)(=O)c2ccc(-c3ccc(C)o3)c(c2)F)c1)=O)=O
+CC(C)(C)OC(NC(C)(C)CC(NC1C(=O)Nc2c(c3ccccc3cc2)CC1)=O)=O
+CC(C)(C)OC(NC(C)(C)CNc1c(ccc(c1)F)Cl)=O
+CC(C)(C)OC(NC(C)(C)Cc1c2cccc(c2[nH]c1)Oc3c(cccn3)C#N)=O
+CC(C)(C)OC(NC(C)C(=N)NOC(=O)C)=O
+CC(C)(C)OC(NC(C)C(N(c1c2cc(OCOCCOC)ccc2ccc1)C)=O)=O
+CC(C)(C)OC(NC(C)C=1N(C(c2c(cccc2N=1)Cl)=O)c3ccccc3)=O
+CC(C)(C)OC(NC(C)COC1CCN(CC1)c2nc3c(cc(OC4CCC4)cc3)o2)=O
+CC(C)(C)OC(NC(C)c1c(c(-c2cnc(C(=O)N(C)C)cc2)c(C)c(c1)Cl)OC)=O
+CC(C)(C)OC(NC(C)c1c(cc2c(F)cccc2n1)C(OCC)=O)=O
+CC(C)(C)OC(NC(C)c1nc2c(c(C(NCC3CC3)=O)c1-c4ccccc4)cc(cc2)F)=O
+CC(C)(C)OC(NC(CC1CCCCC1)C(NC(OCc2ccccc2)=O)C)=O
+CC(C)(C)OC(NC(CC=O)(c1c(F)cc(c(Br)c1)F)C)=O
+CC(C)(C)OC(NC(CCCSC(C)=O)C(OC(C)(C)C)=O)=O
+CC(C)(C)OC(NC(CCCc1ccccc1CO)Cc2ccccc2)=O
+CC(C)(C)OC(NC(CCNCC(C)C)C)=O
+CC(C)(C)OC(NC(CCc1ccc(cc1)OCCCCc2ccccc2)(CO)CC)=O
+CC(C)(C)OC(NC(CN1C(C)(C)CN(C(C1)=O)c2c(C)cccc2)C(CC(CC)C(NCC(C)(C)C)=O)O)=O
+CC(C)(C)OC(NC(CNC(=O)C1CC(CN1)O)CCCCNC(=O)OC(C)(C)C)=O
+CC(C)(C)OC(NC(COc1cc2OC(C3CC3)c4c(ccnc4)-c2cc1)CC(C)C)=O
+CC(C)(C)OC(NC(Cc1c(C)cc(cc1C)O)C(=O)N(C(C)C)C(C)c2nc(-c3ccccc3)c[nH]2)=O
+CC(C)(C)OC(NC(Cc1c(cc(OCCCC2CCN(CC2)c3nc(no3)C(C)C)cc1)C)C(OC)=O)=O
+CC(C)(C)OC(NC(Cc1ccc(cc1)-c2cn3cccc(C(O)C)c3n2)CCO)=O
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2c(cccc2)CCC(=O)NO)C(N(C)C)=O)=O
+CC(C)(C)OC(NC(c1[nH]c2c(n1)ccc(C(C)(C)C)c2)C(C)C(N)=O)=O
+CC(C)(C)OC(NC(c1ccc(c(Cl)c1)Cl)CCC#N)=O
+CC(C)(C)OC(NC(c1ccccc1Cl)CCO)=O
+CC(C)(C)OC(NC1(C(CCC1)NC(=O)c2c(-n3nccn3)cccc2)C)=O
+CC(C)(C)OC(NC1(CC(C1)=O)C2CC(=O)N(C2)Cc3ccccc3)=O
+CC(C)(C)OC(NC1(CC1)CCOS(=O)(=O)C)=O
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(Cc2ccc(cc2)-c3cc(ccc3)OS(=O)(=O)C)C(=O)N)=O
+CC(C)(C)OC(NC1(CCOCC1)C(=O)NC(Cc2ccc(cc2)-c3cnc4C(=O)N(Cc4c3)C)C(=O)N)=O
+CC(C)(C)OC(NC1(CCOCC1)CN)=O
+CC(C)(C)OC(NC1(CN(CCC1)c2c3c(ncc2N)CCC3)C)=O
+CC(C)(C)OC(NC1C(C(C2CC2)CN(c3c4CCCc4[n+]([O-])cc3[N+]([O-])=O)C1)O)=O
+CC(C)(C)OC(NC1C(C)N(CCC1)c2nc(c(nc2)C(N)=O)Nc3ccc(cc3)C4CCN(CC4)C5CCCC5)=O
+CC(C)(C)OC(NC1C(CC(C(N)=O)CC1)OC)=O
+CC(C)(C)OC(NC1C(COC1)NC2CCC(CC2)Cc3ccc(cc3)F)=O
+CC(C)(C)OC(NC1CC(C1)CN)=O
+CC(C)(C)OC(NC1CC(Oc2cc(nc3cc(OC)ccc23)-c4ccccc4)CC1C(=O)O)=O
+CC(C)(C)OC(NC1CC1c2cc(C(=O)Nc3cnn(CC)c3)ccc2)=O
+CC(C)(C)OC(NC1CCC(CC1)CNc2ccccc2)=O
+CC(C)(C)OC(NC1CCCC(NC(c2ccc(nc2)-c3cccc(F)c3)=O)C1)=O
+CC(C)(C)OC(NC1CCCCNC1)=O
+CC(C)(C)OC(NC1CCCN(C2C(O)Cc3ccc(cc23)S(=O)(=O)C)C1)=O
+CC(C)(C)OC(NC1CCCN(CC1)CCN(C)C)=O
+CC(C)(C)OC(NC1CCCN(c2n(Cc3ccccc3Cl)c4c(c2C(=O)C)N(C(N(C4=O)C)=O)C)C1)=O
+CC(C)(C)OC(NC1CCN(CC1)c2c3cc(F)ccc3nc(-c4c(cccc4)O)n2)=O
+CC(C)(C)OC(NC1CCN(Cc2ccc3ccnc(Cl)c3c2)C1=O)=O
+CC(C)(C)OC(NC1CCOCC1COc2c(F)cc(cc2)-c3ncc(cc3)Cl)=O
+CC(C)(C)OC(NC1CN(C1)c2cc3c(nc2)n(S(=O)(=O)c4ccc(cc4)C)cc3I)=O
+CC(C)(C)OC(NC1CN(CCC1)c2c3c(NC(C4CC4)=O)c[nH]c3ncc2OCC)=O
+CC(C)(C)OC(NC1CN(c2n(c3c(N(C(=O)N(C3=O)CC(=O)c4ccccc4O)C)n2)CC=C(C)C)CCC1)=O
+CC(C)(C)OC(NC1CNCC1O[Si](C)(C)C(C)(C)C)=O
+CC(C)(C)OC(NC1Cc2c(ccc(O)c2)CC1)=O
+CC(C)(C)OC(NCC(C)(C)NS(=O)(=O)C)=O
+CC(C)(C)OC(NCC(C)(C)c1ccc(cc1)N)=O
+CC(C)(C)OC(NCC(C)OCCOC)=O
+CC(C)(C)OC(NCC(C1CC1)N(C(=O)c2c(sc(C)n2)-c3ccccc3)C)=O
+CC(C)(C)OC(NCC(OC1C(Nc2c(ccc(-n3c4CC(C)(C)CC(c4c(CC)n3)=O)c2)C(N)=O)CCCC1)=O)=O
+CC(C)(C)OC(NCC(c1ccccc1)NC(c2cc(c(Cl)cc2)NC(=O)c3c(O)nc4nc(nc(c4c3)C)OC)=O)=O
+CC(C)(C)OC(NCC1(C(C)(C)C(CC1)Nc2c3n(cc(Br)c3)ncc2C(=O)N)C)=O
+CC(C)(C)OC(NCC1(CCNC1)O)=O
+CC(C)(C)OC(NCC1C(=NOC)CNC1)=O
+CC(C)(C)OC(NCC1C(NC(=O)OCc2ccccc2)CCN1C(=O)OCc3ccccc3)=O
+CC(C)(C)OC(NCC1C(c2c3c(nn(C)c3)ccc2)C1)=O
+CC(C)(C)OC(NCC1CCC(CC1)CNC(c2cc(nc3ccccc23)-c4cnc(cc4)OCC5COCC5)=O)=O
+CC(C)(C)OC(NCC1CCN(CC1)CCNS(=O)(=O)C2CC2)=O
+CC(C)(C)OC(NCC1CCN(CC1)c2c3nc(ccc3cc(F)c2)-c4n5c(nn4)cccc5)=O
+CC(C)(C)OC(NCC1CCN(CC1)c2cc(C(Nc3ccccc3)=O)ccc2N)=O
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(-c4n5ccc(I)cc5nn4)nc23)=O
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(C=NNc4cc(I)ccn4)nc23)=O
+CC(C)(C)OC(NCC1CN(C(=O)O1)c2cc(F)c3c(CC(=O)N3C4CC4)c2)=O
+CC(C)(C)OC(NCC1CN(c2cc(F)c3c(CC(=O)N3CCF)c2)C(=O)O1)=O
+CC(C)(C)OC(NCC1Cc2cc(cc(Cl)c2O1)Br)=O
+CC(C)(C)OC(NCC1OC(N(c2cc(c(C3CCN(CC3)C(=O)CO)cc2)F)C1)=O)=O
+CC(C)(C)OC(NCC=1N(C(=O)c2c(C=1OCCCC)cc(cc2)Br)CC3CC3)=O
+CC(C)(C)OC(NCC=1N(CC(C)C)C(=O)c2c(C=1c3ccccc3)cc(cc2)CCC(=O)N)=O
+CC(C)(C)OC(NCCC(=O)N(CC(C)C)Cc1cc2OCCCOc2c(Cl)c1)=O
+CC(C)(C)OC(NCCC(=O)c1cc(O)ccc1)=O
+CC(C)(C)OC(NCCC(Nc1ccc(cc1)CCCCNC(=N)NC(=O)c2c(nc(N)c(n2)Cl)N)=O)=O
+CC(C)(C)OC(NCCCC(C)(C)COS(=O)(=O)CCCNC(=O)C)=O
+CC(C)(C)OC(NCCCCCC(=O)NCCOCCOCCCCCCCl)=O
+CC(C)(C)OC(NCCCCN(Cc1c(cccn1)-c2ccccc2)Cc3ncc(cc3C)C)=O
+CC(C)(C)OC(NCCCN(C(C1=Nc2onc(C)c2C(N1Cc3ccccc3)=O)CC)C(c4ccc(cc4)C)=O)=O
+CC(C)(C)OC(NCCCc1ccc(cc1)Nc2nc3c(cn2)ncn3-c4ccc(cc4)OCCCC(O)=O)=O
+CC(C)(C)OC(NCCN(CCCCCCN1CCC(CC1)c2ccccc2)Cc3ccccc3OC(C)(C)C)=O
+CC(C)(C)OC(NCCN1CCCN(c2c(cnn2C)[N+](=O)[O-])CC1)=O
+CC(C)(C)OC(NCCOCCOCCOCCOc1c(OC)c(OC)cc(C=O)c1)=O
+CC(C)(C)OC(NCCOCCOCCOCCOc1ccc(cc1)[N+](=O)[O-])=O
+CC(C)(C)OC(NCCOCCn1c2c(c(N)nc3c2cccc3)nc1)=O
+CC(C)(C)OC(NCCOc1c(I)c(c(Cl)cc1C(C)=O)C#N)=O
+CC(C)(C)OC(NCCOc1ccc(cc1)NS(=O)(=O)c2ccccc2)=O
+CC(C)(C)OC(NCCOc1ccc(cc1OC)N2C(c3cc(-c4ccc(cc4)Cl)cn3CC2)=O)=O
+CC(C)(C)OC(NCCc1c(cc(C(C)C)cc1)NC(=O)C(OCC)=O)=O
+CC(C)(C)OC(NCCc1c(cc(N)cc1)F)=O
+CC(C)(C)OC(NCCc1c(cc(cc1)C(C)C)OCCCC(=O)OCC)=O
+CC(C)(C)OC(NCCc1c2c(cc(N)cc2)[nH]c1)=O
+CC(C)(C)OC(NCCc1ccc(cc1)CN(C)C)=O
+CC(C)(C)OC(NCCn1c2c(ccc(Br)c2)nc1)=O
+CC(C)(C)OC(NCCn1ncc2c(cc(C3CC3)nc12)C(=O)O)=O
+CC(C)(C)OC(NCc1c(-c2ccc(cc2)C)c(c(nc1CC(C)C)C)C(OCC#N)=O)=O
+CC(C)(C)OC(NCc1c(C)nc(c(C#N)c1)N)=O
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(C(=O)O)cc2)c1-c3ccccc3)=O
+CC(C)(C)OC(NCc1c(CC(C)C)nc2c(cc(OCC(=O)NC)cc2)c1-c3ccc(cc3)C)=O
+CC(C)(C)OC(NCc1c(c2c(ccc(OCc3[nH]nnn3)c2)nc1CC(C)C)-c4ccc(cc4)C)=O
+CC(C)(C)OC(NCc1c(cc(F)cc1)OCCCCS(=O)(=O)N(c2nc(C(=O)OC)c(c3c2cccn3)OC)C)=O
+CC(C)(C)OC(NCc1c(nc(C)cc1C)OC)=O
+CC(C)(C)OC(NCc1c(nc(c(c1-c2ccc(cc2)C)C(OCCCC(=O)O)=O)C)CC(C)C)=O
+CC(C)(C)OC(NCc1cc(Br)c(OCOCCOC)cc1)=O
+CC(C)(C)OC(NCc1cc(C)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(OC)n1)=O
+CC(C)(C)OC(NCc1ccc(Cl)cc1CNC(=O)C2NCCCC2)=O
+CC(C)(C)OC(NCc1ccc(F)cc1OCCCCC(=O)O)=O
+CC(C)(C)OC(NCc1ccc(cc1)CNC(=O)N2CCN(CC2)C(=O)CN)=O
+CC(C)(C)OC(NCc1ccc(cc1)CNCCCCNC(=O)OCc2ccccc2)=O
+CC(C)(C)OC(NCc1cccc2c1n(CC(=O)O)cc2)=O
+CC(C)(C)OC(NCc1cn(CCON2C(=O)c3ccccc3C2=O)nn1)=O
+CC(C)(C)OC(NCc1n(S(=O)(=O)CC)ccc1)=O
+CC(C)(C)OC(Nc1c([N+]([O-])=O)cc(cc1)C#Cc2c(cc(F)cc2)F)=O
+CC(C)(C)OC(Nc1cc(C)c(c(c1)C)-c2csc(N)n2)=O
+CC(C)(C)OC(Nc1cc(OC)c2nc(C(F)F)n(-c3nc(Cl)cc(N4CCOCC4)n3)c2c1)=O
+CC(C)(C)OC(Nc1cc(c(Cl)cc1NC(=O)CC(=O)c2cc(-n3c(COC4CCCCO4)cnn3)ccc2)N(C)C)=O
+CC(C)(C)OC(Nc1cc(c(Cl)cc1NC(CC(=O)c2cccc(c2)-n3cc(cn3)COC4OCCCC4)=O)N(C)C)=O
+CC(C)(C)OC(Nc1cc(ccc1C)CC)=O
+CC(C)(C)OC(Nc1cc(ccc1C=CC(=O)N2C3CCCC2CN(C3)Cc4ccc(cc4)F)Cl)=O
+CC(C)(C)OC(Nc1cc(sc1)C#Cc2c(cccc2)NC(N)=O)=O
+CC(C)(C)OC(Nc1ccc(OCc2n(ncc2C(C)C)-c3c(Cl)cccc3Cl)cc1C)=O
+CC(C)(C)OC(Nc1ccc(c(c1C(OCc2ccccc2)=O)C)C=C)=O
+CC(C)(C)OC(Nc1ccc(cc1N)-c2cocc2)=O
+CC(C)(C)OC(Nc1ccc(cc1N)N2CCCC2)=O
+CC(C)(C)OC(Nc1ccc2c(c1)cc(OC)cc2)=O
+CC(C)(C)OC(Nc1ccc2c(c1Br)cc(cc2)C(=O)C)=O
+CC(C)(C)OC(Nc1nc(CCNc2ccc(cc2)[N+](=O)[O-])ccc1)=O
+CC(C)(C)OC(Nc1nc(CCc2cc(Nc3c(F)cnc(Cl)n3)ccc2)ccc1)=O
+CC(C)(C)OC(Nc1nc2cc(c(c(C)c2[nH]1)N)C)=O
+CC(C)(C)OC(Nc1ncc(cc1)-c2n3c(nc(C=Cc4nc5ccccc5cc4)c3)c(nc2)N6CCOCC6)=O
+CC(C)(C)OC(Nc1nccc(Oc2ccc(nc2)NC(NC(C(C)(C)C)=O)=O)c1)=O
+CC(C)(C)OC(Nc1sc(cc1C(=O)OC)-c2ccc(cc2)F)=O
+CC(C)(C)OC(c1c(C)nc2[nH]c(C)c(C)c2c1-c3ccc(cc3)Cl)C(=O)OC
+CC(C)(C)OC(c1c(Cl)cc(c(Cl)c1)Cl)=O
+CC(C)(C)OC(c1c(cc2nc(sc2c1-c3ccc(cc3)Cl)-c4ccc(NC)c(c4)N)C)C(=O)OCC
+CC(C)(C)OC(c1c(cc2nc(sc2c1-c3ccc(cc3)Cl)-c4ccnc(c4)N5CCN(CC5)CC)C)C(O)=O
+CC(C)(C)OC(c1c(nc2cc(-c3cc(Cl)ccc3)nn2c1-c4c(C)c5CCCOc5c(F)c4)C)C(OC)=O
+CC(C)(C)OC(c1cc(C#C)ccc1)=O
+CC(C)(C)OC(c1cc(Cl)c2n(c(nn2)-c3ccccc3)c1)=O
+CC(C)(C)OC(c1cc(N(C)C)nc(CC)c1)=O
+CC(C)(C)OC(c1cc2nncn2c(Cl)c1)=O
+CC(C)(C)OC(c1ccc(cc1)NC(C(C)N2C(C=C(c3cc(Cl)ccc3C4CC4)C(C#N)=C2)=O)=O)=O
+CC(C)(C)OC(c1ccc(cc1)NC(c2cc(ccc2)-c3cc(c4ncnn4c3)Nc5ccc(c(n5)OC)OC)=O)=O
+CC(C)(C)OC(c1ccc(cc1)SCCCCCCCCCC(O)=O)=O
+CC(C)(C)OC(c1ccc(cc1NC(c2cc(ccc2OCOC)CN3CCCCC3)=O)-c4ccccc4)=O
+CC(C)(C)OC(c1ccccc1CN2C(=O)C3(CCN(CC3)CCCC(=O)c4ccccc4)N(c5ccccc5)C2)=O
+CC(C)(C)OC(c1cn(nn1)CC(COCc2ccccc2)O)=O
+CC(C)(C)OC(c1sc(-c2ccccc2)cc1-c3ccc4OCCCc4c3)C(OCC)=O
+CC(C)(C)OC(n1c(-c2cc(N3CCC(CC3)C(OCC)=O)ccc2Cl)nc4c1cccc4)=O
+CC(C)(C)OC(n1c(-c2ccc(cc2)S(=O)(=O)Nc3ccc(cc3C(=O)c4ccncc4)Cl)ccc1)=O
+CC(C)(C)OC(n1c2c(c(C(NC3CCOCC3O)=O)c1)nccc2C)=O
+CC(C)(C)OC(n1c2c(cc(NC(=S)NCCN)c(C)c2nc1)F)=O
+CC(C)(C)OC(n1c2c(cnc(c2)Br)c(Cl)c1-c3ocnc3)=O
+CC(C)(C)OC(n1c2ccc(OC)cc2nc1-c3c(ccc(N4CCC(CC4)C(=O)OCC)c3)F)=O
+CC(C)(C)OC(n1c2cccc(c2c(C=O)c1)O)=O
+CC(C)(C)OC(n1ccc2c1ccc(c2Cl)CN)=O
+CC(C)(C)OC(n1cnc2c(cccc12)CBr)=O
+CC(C)(C)OCC(COC)(COC)C1CCCCC1
+CC(C)(C)OCC1=C(C(C=2C(=O)OC(CC=2N1)c3c(cc(cc3C)C)C)c4cccc(c4)CC(=O)N)C(=O)OCC
+CC(C)(C)OCCOCCOCCOCCN
+CC(C)(C)Oc1ccc(C(O)CNC2CCCC2OCc3ccccc3)c4sc(nc14)OC(C)C
+CC(C)(C)S(=O)(=O)Cc1cc(ccc1Cl)-c2ccc(cc2OCCCOC)CCC(OCC)=O
+CC(C)(C)Sc1ccc(cc1)-c2c(OC)cc(-c3cc(ccc3OC)OC)c(OC)c2
+CC(C)(C)Sc1ccc(cc1)N2CCC(O)=C(C2=O)C#N
+CC(C)(C)Sc1ccccc1C=C
+CC(C)(C)[SiH2]OC(C)(C)C1CCC(CC1)CC#N
+CC(C)(C)[SiH2]OC(C)(C)C1N(c2cc(cnc2)-c3ccc4c(CCC(=O)N4C)c3)CCC1
+CC(C)(C)[SiH2]OC(C)(C)c1cccc(n1)C(O)C
+CC(C)(C)[Si](C)(C)OC(C(Cc1ccccc1)NC(=O)OC(C)(C)C)CC(C(O)=O)Cc2cccc(c2)F
+CC(C)(C)[Si](C)(C)OC(C(N1CCCC1)=O)C
+CC(C)(C)[Si](C)(C)OC(C)(C)Cn1c2c(cn1)cc(cc2)Oc3ccc(cc3CN)F
+CC(C)(C)[Si](C)(C)OC(C)C(Nc1ccc(c(Cl)c1C)C#N)C(NNC(=O)c2ccc(cc2)I)=O
+CC(C)(C)[Si](C)(C)OC(C)C(Nc1ccc(c(Cl)c1C)C#N)c2nnc(o2)-c3cc4c([nH]cc4)cc3
+CC(C)(C)[Si](C)(C)OC(C)CCCCC(OC)=O
+CC(C)(C)[Si](C)(C)OC(C1CC(Oc2ccc(-c3c(OC)cc(-n4nccc4)cc3)nn2)CC(C)(C)N1)C
+CC(C)(C)[Si](C)(C)OC(C1Cc2ccc(cc2CC1)-c3ccccc3)c4oc(-c5ncccc5)cn4
+CC(C)(C)[Si](C)(C)OC(CBr)c1cc(CO)c(OCc2ccccc2)cc1
+CC(C)(C)[Si](C)(C)OC(CC(C(O)=O)Cc1ccc(cc1)OC)C(Cc2ccccc2)NC(=O)OC(C)(C)C
+CC(C)(C)[Si](C)(C)OC(CC=C)CC(c1cc(Br)ccc1)=O
+CC(C)(C)[Si](C)(C)OC(CC=O)CCl
+CC(C)(C)[Si](C)(C)OC(CCC1CCC(N1CCCc2ccc(cc2)C(OC)=O)=O)Cc3cc(F)ccc3
+CC(C)(C)[Si](C)(C)OC(CI)c1ccc(c(NS(=O)(=O)C)c1)OCc2ccccc2
+CC(C)(C)[Si](C)(C)OC(CNCc1occc1)Cn2c3ccccc3c4c2cccc4
+CC(C)(C)[Si](C)(C)OC(c1ccc(cc1)C(NO)=N)CN2CC(C(OCC)=O)CCC2
+CC(C)(C)[Si](C)(C)OC(c1cccc(N2C(=O)C(Cc3ccc(cc3)-c4ccccc4C#N)=C(N=C2C)CCCC)c1)C
+CC(C)(C)[Si](C)(C)OC1(CC1)CC(c2c(F)ccc(Br)c2)=O
+CC(C)(C)[Si](C)(C)OC1(CC1)c2c[nH]cn2
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCNc2c(cnc3ccccc23)N
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCO
+CC(C)(C)[Si](C)(C)OC1(CCN(CC1)C(=O)OC(C)(C)C)c2nc(cn2CCO)-c3ccc(c(C)c3)F
+CC(C)(C)[Si](C)(C)OC1C=C(C(OCOC)(C)C1)CC=C
+CC(C)(C)[Si](C)(C)OC1CC(Oc2cc(ncn2)NC3C(OC)Cc4c3cccc4)CC1CO
+CC(C)(C)[Si](C)(C)OC1CC2CNc3ccccc3C(=O)N2C1
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)Nc2nc3N(Cc4ccccc4)C(=O)N(Cc3cn2)c5ccccc5Cl
+CC(C)(C)[Si](C)(C)OC1CCN(C1)c2ncc(N3C=CC(OS(=O)(=O)c4ccc(cc4)Br)=CC3=O)cc2
+CC(C)(C)[Si](C)(C)OC1CCN(Cc2ccc(cc2)C)C1=O
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)C(N)CC1)Cc2cccnc2
+CC(C)(C)[Si](C)(C)OC1CN(C(=O)C1)CC#CCN2CCCC2
+CC(C)(C)[Si](C)(C)OC1CN(CC1)c2c(cc(N)cc2)F
+CC(C)(C)[Si](C)(C)OC1CN(CC1Nc2c(nc(-c3ccc(nc3OC)C(C)C)c(C)c2)Br)C(OCc4ccccc4)=O
+CC(C)(C)[Si](C)(C)OC1CN(CCC1)c2c(cc(cc2)C(F)(F)F)NC(c3cc(ccc3F)I)=O
+CC(C)(C)[Si](C)(C)OC1CN(CCC1N2CCOCC2)c3cc(cc(NC(OC(C)(C)C)=O)c3Cl)C#N
+CC(C)(C)[Si](C)(C)OC1c2c(CCC1)cnc3cc(OCc4c([N+]([O-])=O)cccc4)ccc23
+CC(C)(C)[Si](C)(C)OC=1CCC(COc2ccc(S(=O)(=O)C)cc2F)CC=1
+CC(C)(C)[Si](C)(C)OCC(C)(C)CC#N
+CC(C)(C)[Si](C)(C)OCC(C)(C)CN1C=C(CO)c2cc(ccc2C1=O)-c3cc(C(NC4CC4)=O)cc(F)c3C
+CC(C)(C)[Si](C)(C)OCC(C)CCCI
+CC(C)(C)[Si](C)(C)OCC(C)NCc1ccccc1NC(=O)c2c(cc(cc2)N3CCCC3)Cl
+CC(C)(C)[Si](C)(C)OCC(C=O)OC
+CC(C)(C)[Si](C)(C)OCC(CCCC)(CCCC)COC
+CC(C)(C)[Si](C)(C)OCC(CCO)NCCc1ccc(cc1)C(OC(C)C)=O
+CC(C)(C)[Si](C)(C)OCC(Cc1ccc(cc1)Br)C
+CC(C)(C)[Si](C)(C)OCC(Cc1oc(cc1)C(Nc2ccccc2)=O)C(O)C
+CC(C)(C)[Si](C)(C)OCC(N)CC(C)(C)F
+CC(C)(C)[Si](C)(C)OCC(N1c2nc(c(cc2C(C(=C1)C(OCC)=O)=O)CNc3c(cc(cc3F)F)F)OC)C(C)C
+CC(C)(C)[Si](C)(C)OCC(NC)CC=C
+CC(C)(C)[Si](C)(C)OCC(NCC(O)COc1ccc(cc1)OC)C
+CC(C)(C)[Si](C)(C)OCC(Nc1c(ccc(n1)OC)N)COCc2ccccc2
+CC(C)(C)[Si](C)(C)OCC(Oc1cc(Oc2ccc(cc2F)C(=O)N3CCC3)cc(c1)C(=O)Nc4sccn4)C
+CC(C)(C)[Si](C)(C)OCC(On1c2ncnc(c2nc1)N)CCP(OCC)(OCC)=O
+CC(C)(C)[Si](C)(C)OCC(c1cc(NC(=O)OCc2ccccc2)ccc1)OS(=O)(=O)C
+CC(C)(C)[Si](C)(C)OCC(c1ccc(cc1)Br)C
+CC(C)(C)[Si](C)(C)OCC(c1ccc(cc1)Cl)O
+CC(C)(C)[Si](C)(C)OCC1(N)CC(N(CC1)C(=O)OCc2ccccc2)C
+CC(C)(C)[Si](C)(C)OCC1=Cn2ccc(c2C(N1)=O)C
+CC(C)(C)[Si](C)(C)OCC1C(C)(CCC(C1)OC(=O)C)C2CCC3(C(CCC3=C)C2CC#N)C
+CC(C)(C)[Si](C)(C)OCC1C(Cc2ccccc12)OS(=O)(=O)C
+CC(C)(C)[Si](C)(C)OCC1CCC(CC1)(C=C)OC
+CC(C)(C)[Si](C)(C)OCC1CCC(CC1)=O
+CC(C)(C)[Si](C)(C)OCC1CCC(CC1)C(=O)OC
+CC(C)(C)[Si](C)(C)OCC1CCC(CC1)CNCC
+CC(C)(C)[Si](C)(C)OCC1CCCN(c2ccccc2C=O)C1
+CC(C)(C)[Si](C)(C)OCC1OC2SC(=NC2C(O)C1O)N(C)C(=O)OC(C)(C)C
+CC(C)(C)[Si](C)(C)OCCC(=O)C1CCCN1C(C2N(C(NCc3ccccc3)=O)CCC2)=O
+CC(C)(C)[Si](C)(C)OCCC(CC=CC)C
+CC(C)(C)[Si](C)(C)OCCC(c1ccccc1)(O)CCN
+CC(C)(C)[Si](C)(C)OCCC(c1nnc2cc(-c3ccnc(SC)n3)cc(n12)F)Cn4ncc(c4)Cl
+CC(C)(C)[Si](C)(C)OCCC1C(C1)C2CCN(CC2)c3ccc(COC)cn3
+CC(C)(C)[Si](C)(C)OCCCC(C)(C)C=CCO
+CC(C)(C)[Si](C)(C)OCCCCCC(C)O
+CC(C)(C)[Si](C)(C)OCCCCCCCCOc1cc([N+]([O-])=O)c(cc1)-c2ccccc2
+CC(C)(C)[Si](C)(C)OCCCN1C(N(C)c2nc(n(Cc3ccc(cc3)Cl)c2C1=O)OCCN4CCOCC4)=O
+CC(C)(C)[Si](C)(C)OCCCNCCN1CCS(CC1)(=O)=O
+CC(C)(C)[Si](C)(C)OCCCNc1ccc(NS(=O)(=O)c2ccc(cc2)NC(C)=O)cc1N
+CC(C)(C)[Si](C)(C)OCCCOc1c(-c2ccc(c(C)c2)N(CC)CC)cc(cc1)-c3ccc(cc3)C(=O)OCC
+CC(C)(C)[Si](C)(C)OCCCSc1c(C#N)cnc2c1cc(cc2)I
+CC(C)(C)[Si](C)(C)OCCCc1c(nc2ccnn2c1Nc3ccc(cc3)OCC)Cl
+CC(C)(C)[Si](C)(C)OCCCc1c2c([nH]c1[Si](C)(C)C)ccc(C(=O)OCC)c2
+CC(C)(C)[Si](C)(C)OCCCc1c[nH]c2ccccc12
+CC(C)(C)[Si](C)(C)OCCCc1cc2C(C)(C)CCC(C)(C)c2cc1C=O
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)N2CCc3c(n(-c4ccc(cc4)OC)nc3C(N)=O)C2=O
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)NC(c2nccnc2C(=O)Nc3ccc(C#N)cn3)=O
+CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(cc1)NC(c2nccnc2NC(c3ccc(cc3)Cl)=O)=O
+CC(C)(C)[Si](C)(C)OCCN(C(=O)Cc1ccc(cc1)C(OC)=O)c2c3c(ccc2)cccn3
+CC(C)(C)[Si](C)(C)OCCN(C(c1csc(n1)N2CC(C2)SC(=O)C)=O)C
+CC(C)(C)[Si](C)(C)OCCN(c1ccc(cc1)NC(=O)c2c(NC(c3ccc(Cl)s3)=O)nccc2)C#N
+CC(C)(C)[Si](C)(C)OCCN(c1ccccc1)C(Cc2ccc(cc2)C(=O)NO)=O
+CC(C)(C)[Si](C)(C)OCCN1CCN(CC1)c2cc(nc(C)n2)Cl
+CC(C)(C)[Si](C)(C)OCCOCCC(C)(C)CC=NCC(=O)OC(C)(C)C
+CC(C)(C)[Si](C)(C)OCCOCc1ccc(cc1)CO
+CC(C)(C)[Si](C)(C)OCCOc1c(-n2nnnc2C3CC3)cc(cc1)[N+](=O)[O-]
+CC(C)(C)[Si](C)(C)OCCOc1c([N+](=O)[O-])c(cc(Cl)n1)N
+CC(C)(C)[Si](C)(C)OCCOc1ccc2c(nc(cn2)-c3ccc(cc3)NC)c1
+CC(C)(C)[Si](C)(C)OCCSCc1ccnc(Nc2ncc(F)c(c2)-c3c(OC)cc(cc3)F)c1
+CC(C)(C)[Si](C)(C)OCCSc1c(-c2ccccc2)c(C(C)N3C(=O)c4ccccc4C3=O)nc5ccc(cc15)F
+CC(C)(C)[Si](C)(C)OCCSc1ccc(c(C)n1)N
+CC(C)(C)[Si](C)(C)OCCSc1ccc2c(c1)CCN2c3cc(ncn3)OC4CCN(CC4)C(=O)OC(C)C
+CC(C)(C)[Si](C)(C)OCCc1c(Cl)nc2ccnn2c1Cl
+CC(C)(C)[Si](C)(C)OCCc1c[nH]c2c1c(nc(n2)SC)Cl
+CC(C)(C)[Si](C)(C)OCCc1ccc(CCN2CCC3(CC2)CN(CCO3)C(=O)c4nc(sc4)C)s1
+CC(C)(C)[Si](C)(C)OCCc1ccc(c(CO)c1)F
+CC(C)(C)[Si](C)(C)OCCc1ccc(c(OCc2ccccc2)c1)C=O
+CC(C)(C)[Si](C)(C)OCCc1ccsc1C(O)c2ccc(cc2)F
+CC(C)(C)[Si](C)(C)OCCn1c2cc(c(C)cc2cn1)N
+CC(C)(C)[Si](C)(C)OCc1c(cccc1C=CC(=O)OCC)OC
+CC(C)(C)[Si](C)(C)OCc1c2cccc(C)c2c(c(c1)C=O)OCOC
+CC(C)(C)[Si](C)(C)OCc1cc(CC(C)(C)C)c(cc1)-c2cc(ccc2F)OC
+CC(C)(C)[Si](C)(C)OCc1cc(CCl)cc(Cl)c1
+CC(C)(C)[Si](C)(C)OCc1cc(OC)c(C=O)c(n1)Cl
+CC(C)(C)[Si](C)(C)OCc1cc([N+]([O-])=O)c(cc1)C(N)=O
+CC(C)(C)[Si](C)(C)OCc1cc(c(cc1)C)N(C)c2nc(ncc2)Cl
+CC(C)(C)[Si](C)(C)OCc1cc(c2c(cccn2)c1)CNC3CC3
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1N)N2CCOCC2
+CC(C)(C)[Si](C)(C)OCc1cc(ccc1OCCCCCCCC)Br
+CC(C)(C)[Si](C)(C)OCc1ccc(c(c1)N)C(C)(C)C
+CC(C)(C)[Si](C)(C)OCc1ccc(c(n1)NC)C
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C(CC#N)=O
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C=O
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)OC(=O)Oc2ccc(cc2)[N+]([O-])=O
+CC(C)(C)[Si](C)(C)OCc1cccc(-c2cc(N)ccc2F)c1
+CC(C)(C)[Si](C)(C)OCc1cccc(c1)-c2cnc(N)cc2
+CC(C)(C)[Si](C)(C)OCc1cccc2C(CCN(c12)CC)=C
+CC(C)(C)[Si](C)(C)OCc1cnc(nc1)Nc2ccccc2
+CC(C)(C)[Si](C)(C)OCc1n(C)c2c(cc3C(CCCCc3c2)=NCc4ccc(OC)cc4OC)c1
+CC(C)(C)[Si](C)(C)OCc1n(c2c(cc(cc2)C(=O)CC)c1)C
+CC(C)(C)[Si](C)(C)OCc1nc(ccc1)C2(CCOCC2)OC
+CC(C)(C)[Si](C)(C)OCc1sc(C(=N)NO)c(c1)C
+CC(C)(C)[Si](C)(C)Oc1c(COC(Oc2ccc(cc2)[N+](=O)[O-])=O)cccc1
+CC(C)(C)[Si](C)(C)Oc1c(NC(=S)Nc2cccc(c2Cl)F)ccc(Cl)c1S(=O)(=O)N(C)C
+CC(C)(C)[Si](C)(C)Oc1c(S(=O)(=O)N(C)C)c(ccc1N=C=Nc2ccccc2Cl)Cl
+CC(C)(C)[Si](C)(C)Oc1c(c(Cl)ccc1NC(Nc2cccc(F)c2F)=S)S(=O)(=O)N(C)C
+CC(C)(C)[Si](C)(C)Oc1c(c(cc(N2C(c3c(C2=O)cccc3)=O)c1)C(=O)OCc4ccc(cc4)[N+]([O-])=O)C
+CC(C)(C)[Si](C)(C)Oc1c(cc(OCc2ccccc2)cc1)Br
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(-c2cccc(CO)c2)c(c1Cl)C
+CC(C)(C)[Si](C)(C)Oc1cc(F)c(F)c(C=O)c1OC
+CC(C)(C)[Si](C)(C)Oc1cc(ccc1)CNC(c2cc(c(O)c(Cl)c2)C)=O
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c2c(c(C(NC3CCC(CC3)(F)F)=O)nn2-c4ccc(cc4Cl)Cl)CBr
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-n2c(c(C(=O)NC3CCC(CC3)(F)F)nc2-c4ccc(Cl)cc4Cl)CBr
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C2C(C(OCC)=O)N(C(=O)C2)C
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C=2C(c3ccccc3)C(O)(ON=2)C4CC4
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)CCC(=O)OCc2ccccc2
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1C2CCCCC2)B(O)O
+CC(C)(C)c1[nH]c2c(cc(cc2CO)N)c1
+CC(C)(C)c1[nH]c2cc(ccc2c1CCN3C(CCC3)c4ccc(cc4)C=CC(=O)OC)NS(=O)(=O)C
+CC(C)(C)c1c(N)cc(C#N)cc1
+CC(C)(C)c1c(N2CCN(CC2)C(CCC(NS(=O)(=O)NCC3CC3)=O)=O)cccc1
+CC(C)(C)c1c(O)c(c(c(C)c1)CC(=O)OCCCCCCCCCCCCCCCCCC)C
+CC(C)(C)c1c(OC)c(N2CCN(CC2)C(=O)COC(=O)C)cc(Br)c1
+CC(C)(C)c1c(OCc2ccccc2)c(cc(c1)C(OC)=O)I
+CC(C)(C)c1c(OCc2ccccc2)cc(OCC(OCC)=O)cc1
+CC(C)(C)c1c(SS(=O)(=O)c2ccc(cc2)C)cc(c(OS(=O)(=O)N(C)C)c1)C
+CC(C)(C)c1c(c(-c2nc3cc(-c4c(cccc4)C(F)(F)F)nc(OCCN(C)C)c3[nH]2)n(n1)C)Cl
+CC(C)(C)c1c(c(C(C)(C)C)cc(OC)c1CC=C)OC(=O)C
+CC(C)(C)c1c(c(cc(OCCC)c1C)C(C)(C)C)O
+CC(C)(C)c1c(cc(CCC(CC2CCCCC2)=O)cc1)NC(=O)CC3c4ccccc4Oc5ccccc35
+CC(C)(C)c1c(ccc(OC(=O)N(C)c2ccc(cc2)F)c1)Cl
+CC(C)(C)c1c(ccc(c1)-c2n(CC3CCCCC3)c(C)c(C(=O)NC4CCOCC4)c2)O
+CC(C)(C)c1c(ccc(c1)C#Cc2ccc(cc2)C(=O)O)C3(CC3)OCC
+CC(C)(C)c1c(cccc1)N2CCN(CC2)C(=O)NCC(=O)O
+CC(C)(C)c1c(nn2c(-c3c(c(F)ccc3F)F)nnc2c1)Cl
+CC(C)(C)c1c2ncccn2nc1NC(Cc3ccc(cc3)Cl)=O
+CC(C)(C)c1cc(-c2cccc(C(C)(C)C)c2)c(NC=O)cc1
+CC(C)(C)c1cc(C(=O)CBr)cc2NC(=O)COc12
+CC(C)(C)c1cc(C(C#Cc2ccc(cc2)C(=O)O)O)ccc1N3CCCC3
+CC(C)(C)c1cc(C(C#Cc2ccc(cc2)C(=O)O)O)ccc1N3CCCCC3
+CC(C)(C)c1cc(CBr)cc(c1)Cl
+CC(C)(C)c1cc(CC(N(C(C(C(C)C)NC)=O)C)C(=O)N)ccc1O
+CC(C)(C)c1cc(CNC2CS(=O)(=O)CC(C2O)Cc3cc(c(c(F)c3)NC(CNCC)=O)CC)ccc1
+CC(C)(C)c1cc(N)n(-c2ccc3CCN(C(=O)C(F)(F)F)c3c2)n1
+CC(C)(C)c1cc(N)n(n1)-c2cc(c(cc2)C)I
+CC(C)(C)c1cc(NC(=O)NC2c3cc(F)ccc3C(Oc4ccc5nnc(C(C)C)n5c4)CC2)n(C)n1
+CC(C)(C)c1cc(NC(=O)Nc2cc(C#Cc3cnc(nc3)NCCCN4CCCCC4)ccc2)n(C)n1
+CC(C)(C)c1cc(NC(=O)Nc2cc(ccc2)Sc3ncnc4cc(c(OC)cc34)OCCOC)no1
+CC(C)(C)c1cc(NC(Nc2cc(Oc3c4cc(OC)c(cc4ncn3)OCC)ccc2)=O)no1
+CC(C)(C)c1cc(NC(Nc2cccc(Oc3c4cc(c(F)cc4ncn3)F)c2)=O)no1
+CC(C)(C)c1cc(NC(c2ccc(c(-n3cc(-c4ccc(Cl)nc4)nn3)c2)C)=O)c(c(c1)NS(=O)(=O)C)OC
+CC(C)(C)c1cc(Nc2n(C)c3c(cc(Nc4ccnc(n4)Nc5cccc(c5)S(=O)(=O)N6CCOCC6)cc3)n2)no1
+CC(C)(C)c1cc(OC(C)C)cc(c1)-c2n(nc(-c3ccc(cc3)C(=O)O)c2)-c4ccc(cc4)C(=O)N
+CC(C)(C)c1cc(OCCOC)cc(c1)C(O)=O
+CC(C)(C)c1cc([N+]([O-])=O)ccc1N
+CC(C)(C)c1cc(c(C(O)=O)cc1)N
+CC(C)(C)c1cc(c(CCN(C)C)cc1)O
+CC(C)(C)c1cc(c(O)c(C=O)c1)-c2nccc(n2)C(F)(F)F
+CC(C)(C)c1cc(c([N+]([O-])=O)cc1OCc2ccccc2)Br
+CC(C)(C)c1cc(c(c(N)c1)OC)S(C)=O
+CC(C)(C)c1cc(c(cc1)N)OC
+CC(C)(C)c1cc(c2C(N(N=Cc2c1)c3c(CO)c(ccn3)C4=CN(C)C(=O)C(Nc5ncc(s5)C)=C4)=O)F
+CC(C)(C)c1cc(c2C(N(N=Cc2c1)c3nccc(C4=CN(C)C(C(Nc5cc6n(CCOC6)n5)=C4)=O)c3CO)=O)F
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)NC(=O)NCCCl
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)NC(c2ccc(o2)-c3ccc(cc3)[N+](=O)[O-])=O
+CC(C)(C)c1cc(cc(C=O)c1O)CCl
+CC(C)(C)c1cc(cc([N+](=O)[O-])c1OCCBr)C(=O)C
+CC(C)(C)c1cc(cc(c1)C#N)SC(F)(F)F
+CC(C)(C)c1cc(n(-c2ccc(cc2)F)n1)NC(=O)c3cccc4cc(ccc34)Oc5ncnc(Cl)c5
+CC(C)(C)c1cc(n(n1)-c2ccc(cc2)NC(=O)CC(C)(C)C(=O)O)NC(=O)Nc3ccc(cc3)Oc4ccncc4
+CC(C)(C)c1cc(nc(c1)Cl)CN(C)C
+CC(C)(C)c1cc2C(C(CC(C)C)Cc2c(Br)c1OC)=O
+CC(C)(C)c1cc2C=NN(Cc3c(CO)cc(-c4ccnc(O)c4)cc3)C(=O)c2c(F)c1
+CC(C)(C)c1cc2c(C(=O)N(c3nccc(Cl)c3COC(C)=O)N=C2)c(F)c1
+CC(C)(C)c1cc2c(c(F)c1)C(N(Cc3cc(c(-c4ccnc(O)c4)cc3F)CO)N=C2)=O
+CC(C)(C)c1cc2c(cc(cn2)C(O)=O)cc1
+CC(C)(C)c1cc2cc(ncc2[nH]1)N
+CC(C)(C)c1cc2cc(ncc2n1CCO)NC(C3(CC3)c4ccc5OC(F)(F)Oc5c4)=O
+CC(C)(C)c1cc2ccc3c(-c4ccccc4)ccc5ccc(c1)c2c35
+CC(C)(C)c1cc2nc(oc2cc1)N3CCN(CCC3)C(N4CCS(CC4)(=O)=O)=O
+CC(C)(C)c1ccc(C2CC2C(=O)N3CC(C)OC(C)C3)s1
+CC(C)(C)c1ccc(C=O)c(Cl)c1
+CC(C)(C)c1ccc(c(C(C)(C)C)c1)CCCl
+CC(C)(C)c1ccc(c([N+]([O-])=O)c1)NCc2ccccc2
+CC(C)(C)c1ccc(c(c1)Oc2scc(C(=O)Nc3c(OC)nc(nc3OC)NCCC(=O)O)n2)C
+CC(C)(C)c1ccc(c(c1)Oc2scc(C(=O)Nc3c(OC)nc(nc3OC)NCCS(=O)(=O)NC(C)C)n2)C
+CC(C)(C)c1ccc(cc1)-c2c(C(Nc3cc4ncc(cc4cc3)C(O)=O)=O)cccc2
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)OC(C)c3sc(C(NCCC(=O)OC)=O)cc3)C
+CC(C)(C)c1ccc(cc1)-c2cc(cc(C(O)=O)c2)Nc3c4ccc(cc4ncc3C(=O)N)-c5c(nc(nc5)OC)OC
+CC(C)(C)c1ccc(cc1)-c2cccc(C3C(C)(C)Cc4cc(Cl)cc(C(NS(=O)(=O)C5CC5)=O)c4N3)c2
+CC(C)(C)c1ccc(cc1)-c2oc3c(N4CCN(CC4)Cc5ccc6nccnc6c5)cccc3n2
+CC(C)(C)c1ccc(cc1)-c2scc(C(=O)C)c2OCOC
+CC(C)(C)c1ccc(cc1)C(=O)Nc2c(C(OC)=O)ccc(N)c2
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(-c3nc(c4n(c3)ccn4)Nc5cc6[nH]cnc6cc5)ccc2
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2C)C3=CN(C(=O)C(=C3)Nc4ccc(cc4)C(=O)O)C
+CC(C)(C)c1ccc(cc1)C(Nc2c(c(ccc2)C=3N=C(C(N(C=3)C)=O)Nc4ccc(cc4)CCOS(=O)(=O)C)C)=O
+CC(C)(C)c1ccc(cc1)C(c2cc(-c3cc(ccc3)S(=O)(=O)NC4CC4)cnc2N)=O
+CC(C)(C)c1ccc(cc1)C2C(C(=O)c3ccc(cc3)OCC(=O)O)=C(O)C(=O)N2c4nnc(C)s4
+CC(C)(C)c1ccc(cc1)C=2N(C)N(C(C=2C(N(C)CCOCC(OCC)=O)=O)=O)c3ccc(cc3)C#N
+CC(C)(C)c1ccc(cc1)C=2N(N(c3ccc(cc3)C#N)C(=O)C=2C(=O)N4CCC(CC4)OCC(=O)OCC)C
+CC(C)(C)c1ccc(cc1)CC(c2ccc(cc2)Cl)=NN
+CC(C)(C)c1ccc(cc1)CN(C(=O)c2c3[nH]ccc3cc(Cl)c2)CCN(CC)c4cccc(C)c4
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(C)C(CCCc3ccc(OC(C)(C)C(OC)=O)c(c3)C)C2
+CC(C)(C)c1ccc(cc1)CN2C(N(C(=N2)CC3CC3c4ccc(cc4)Br)CC)=O
+CC(C)(C)c1ccc(cc1)COc2c(C(CC)=O)cc(NC(=O)Nc3cc(OC)ccc3)cc2
+CC(C)(C)c1ccc(cc1)COc2c(C=CC(Cc3ccc(cc3)C(=O)OC)CCCCC#N)cccc2
+CC(C)(C)c1ccc(cc1)COc2ccccc2C=CC(CCc3ccc(cc3)-c4[nH]nnn4)CCCCC(OCC)=O
+CC(C)(C)c1ccc(cc1)N2CCC(OC)=C(C#N)C2=O
+CC(C)(C)c1ccc(cc1)NC(=O)NC(CC)CCN(CC2C3OC(C)(C)OC3C(n4cnc5c(N)ncnc45)O2)C
+CC(C)(C)c1ccc(cc1)NC(NCCC(=O)N(CC)CC2C(C(O)C(n3cnc4c3ncnc4N)O2)O)=O
+CC(C)(C)c1ccc(cc1)NCc2cc(c(cc2)NC(=O)OCC)N
+CC(C)(C)c1ccc(cc1)Nc2c3CCN(c4ncccc4Cl)Cc3nc(CN5CCOCC5)n2
+CC(C)(C)c1ccc(cc1)Nc2ncnc3c2CCN(CC3)c4c(C(F)(F)F)cccn4
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C)C(C=2N(c3ccc(cc3)OCc4ccccc4)C(c5ccccc5N=2)=O)C
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(c2cc3c(nccc3)cc2)CC(N(Cc4nc(ccc4)C)CC)=O
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(c3cnccc3)=O)Cl
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2nc(nc(OCCCO)c2Oc3ccccc3OC)N4CCOCC4
+CC(C)(C)c1ccc(cc1O)N
+CC(C)(C)c1ccc(s1)S(=O)(=O)Nc2c(c(nc(-c3ncccn3)n2)OC)Oc4c(cccc4)OC
+CC(C)(C)c1ccc2C(CCOc2c1)NC(Nc3c4cc(C)ncc4ccc3)=O
+CC(C)(C)c1ccc2c(nc(-c3cc(cc(COc4cccc(c4)Cl)c3)[N+](=O)[O-])o2)c1
+CC(C)(C)c1cccc(C(C)c2cccc(-c3c(OC)cccc3)c2)c1O
+CC(C)(C)c1cccc(Nc2cc(nnc2C(=O)N)NCC3(CC3)N)n1
+CC(C)(C)c1ccccc1OCCN(C(=O)Nc2c(cccc2)C(O)=O)C
+CC(C)(C)c1ccccc1OCCN(C)C(=O)c2n[nH]c3c2CN(C3)C(=O)OC(C)(C)C
+CC(C)(C)c1ccccc1Oc2c(NC(=O)Nc3ccc(cc3)C)cc(cc2)-c4c(cccc4)C(=O)O
+CC(C)(C)c1ccccc1Oc2c(ccc(Cl)n2)N
+CC(C)(C)c1n(C)nc(NC(C(P(OC)(OC)=O)OC)=O)c1
+CC(C)(C)c1n(CC2CCC(F)(F)CC2)c3c(n1)cc(cc3)NS(=O)(=O)CC
+CC(C)(C)c1n(c(C=O)cn1)S(=O)(=O)N(C)C
+CC(C)(C)c1n(c2c(n1)cc(N(S(=O)(=O)c3ccc(cc3)NC(=O)N)CC)cc2)CC4CCOCC4
+CC(C)(C)c1n(c2c(n1)cc(cc2)NC)CC3CCCCC3
+CC(C)(C)c1n2c(c(-c3cc4c(cc3)ccc(-c5ccccc5)n4)n1)c(ncc2)N
+CC(C)(C)c1nc(-c2c(c(ccc2)NS(=O)(=O)c3c(cccc3F)F)F)c(s1)-c4nc(ncc4)NCC(C)O
+CC(C)(C)c1nc(-c2cc(c(cn2)C3CC3)OC(C)C(F)(F)F)on1
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)CCCn4cc(c5c4cc(C)cc5)C#N)sc1
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)CSc4c(CCl)cccc4)sc1
+CC(C)(C)c1nc(N2CCC(CC2)CCCO)no1
+CC(C)(C)c1nc(NC2CC2)c3cc(I)ccc3n1
+CC(C)(C)c1nc(c(-c2ccnc(NCCN3C(=O)CCC3)n2)s1)-c4c(c(ccc4)NS(=O)(=O)c5c(F)ccc(c5)F)F
+CC(C)(C)c1nc(c2c[nH]nc2n1)N3CC(O[Si](C)(C)C(C)(C)C)CC3
+CC(C)(C)c1nc(cc(C2CC2)n1)N3CCN(CC3)CCCSc4ncccn4
+CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCCNC(=O)c3cnccc3)C4CCC4
+CC(C)(C)c1nc(sc1)-c2cc3c(o2)ccc(c3)OCc4c(OC(C(=N)NO)CCC)cccc4
+CC(C)(C)c1nc(sc1Br)N
+CC(C)(C)c1nc2cc(N3CC(C)CCC3)c(N=C=S)cc2s1
+CC(C)(C)c1nccc(-c2scc(c2)-c3c(Cl)cc(NS(=O)(=O)C)cc3)c1
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+CC(C)CCn1c2c(ccc(Cl)c2)c(c1)C(O)=O
+CC(C)CCn1c2c(nc1CN3C(=O)N(C(C)C)c4ccccc34)c(ccc2)CCN
+CC(C)CCn1c2ccc(CNC)cc2nc1CN3c4ccccc4C(=O)N(C5CC5)C3=O
+CC(C)CN(CC(C)C)C(C(C)(C)c1ccc(c(c1)NCCCN2CCCCC2)N)=O
+CC(C)CN(CC(C)C)c1c([N+]([O-])=O)cc(cc1)C(=O)C(F)(F)F
+CC(C)CN(CC(C)C)c1c(cc(-c2c(-c3[nH]nnn3)cccc2)cc1)NC(=O)Nc4ccc(cc4)C
+CC(C)CN(CC(C)C)c1c(cc(cc1)C2(CC2)C(O)=O)[N+]([O-])=O
+CC(C)CN1C(=O)C(C(=O)N(CC(C)C)C1=O)C(=O)NCC(=O)O
+CC(C)CN1C(=O)C(C(=O)NNC(=O)CCCCCCCCCCC)=C(c2c1cccc2)O
+CC(C)CN1C(=O)N(C)C(=O)c2c(-c3n(cc(c3)C(NOC)=O)C)n(Cc4c[nH]c5ccc(cc45)C)nc12
+CC(C)CN1C(=O)N(c2sc(C(N)=O)c(C)n2)CC1
+CC(C)CN1C(Cc2cc(N3CC(OC3=O)C(=O)NC)ccc12)=O
+CC(C)CN1CCCCC1CN
+CC(C)CN1c2nn(c(c2C(=O)N(C)C1=O)-c3cc(cn3C)C(=O)OC)Cc4c5c(cccc5)ccc4
+CC(C)CNC(=O)c1c(nccc1)Oc2ccc(cc2)Nc3ccccn3
+CC(C)CNC(c1ccc2Sc3c(N(C(CN(CC)CC)C)c2c1)cccc3)=S
+CC(C)CNc1nc2c(n3c(cnc13)-c4cc5c(cc4)OCCO5)cccc2
+CC(C)COC(OC(=O)CN1c2ccccc2C3(c4c(OC3)cc5OCOc5c4)C1=O)=O
+CC(C)CON=C(C(NC1C(=O)N2C1SCC=C2C(O)=O)=O)c3nc(sc3)N
+CC(C)COc1c(-c2ncc(c(O)n2)-c3[nH]nnn3)cccc1
+CC(C)COc1c(C#N)cc(-c2sc3c(cccc3O)n2)cc1
+CC(C)COc1c(OC)c(OCC)ccc1-c2ccc3C(=O)OCc3c2
+CC(C)COc1c(cc(-c2c(Br)c(c(C(OC)=O)s2)F)cc1)C#N
+CC(C)COc1c(cc(Cl)cc1)Cc2oc(cc2)C=O
+CC(C)COc1cc(COc2cc(C(CC(=O)O)C3CC3)ccc2)c(nc1-c4cc(OC)ccc4F)OC
+CC(C)COc1cc(cc(OCC)c1)C=O
+CC(C)COc1cc(ccc1)OCc2nc3ccccc3n2CC(C)C
+CC(C)COc1cc2CC(CC)N3C=C(C(=O)O)C(=O)C=C3c2cc1OC
+CC(C)COc1ccc(cc1Cn2nc(N)cc2CC)Cl
+CC(C)COc1ccc2c(c(nn2C)C=O)c1
+CC(C)COc1nc(CN(c2cc(ncn2)C(C3CC3)CC(O)=O)C)ccc1-c4c(F)ccc(OC)c4
+CC(C)COc1ncc(OCc2c(cc(c(F)c2)C(=O)O)F)cc1Cl
+CC(C)CS(c1ccc2c(c1)cc(N)c(N)c2)=O
+CC(C)Cc1c2c(n(-c3nc(CO)cs3)c1)cc(Cl)cc2
+CC(C)Cc1cc(ccc1-c2cc(Cc3c4ccccc4ccc3)c(cc2)O)CCC#N
+CC(C)Cc1cc-2c(OCc3c-2n(nc3C(N4CCCN(C(C5OCCC5)=O)CC4)=O)-c6ccsc6)cc1OC
+CC(C)Cc1ncc(cc1C#N)C(OCC)=O
+CC(C)Cc1sc(-c2onc(C(CCC(O)=O)CC(Nc3c(Cl)cc(cc3)C)=O)c2C4CC4)cn1
+CC(C)Cn1c(nc2c1c3c(cccc3)nc2N)CNC(C)=O
+CC(C)Cn1c2ccc(Oc3ccc(cc3CN)F)cc2cn1
+CC(C)Cn1cncc1CO
+CC(C)N(C(=O)c1ccc(cc1)-c2occc2)Cc3ccccc3OCCCCc4nnn[nH]4
+CC(C)N(C(C)C)C(=O)c1ccc(C(N2CCN(CC2)c3ncccc3NCC)=O)nc1
+CC(C)N(C(C)C)C(=O)c1ccc(cc1)OCCCCCOc2ccc(cc2)C(=N)NO
+CC(C)N(C(C)C)c1nc(nc(n1)NCCCCCCCC)N2C(C)(C)CC3(OCCO3)CC2(C)C
+CC(C)N(CC1CNCC1CO)C(c2ccc(c(c2)OCCCOC)OC)=O
+CC(C)N(CCOc1c(-n2cccc2)cc(cc1)[N+](=O)[O-])CCc3cc(OC)c(cc3)OC
+CC(C)N1C(=O)C=CC(=N1)c2nc(C#C)c(nc2-c3ccccc3)N
+CC(C)N1C(=O)C=CC(c2sc(NC(C)=O)nc2-c3ccccc3)=N1
+CC(C)N1C(C(=Cc2c1nc(N)nc2)c3ccc(c(c3)N)F)=O
+CC(C)N1C(C(=Nc2cc(Br)c(CC)nc12)C)=O
+CC(C)N1C(C(N2CCN(CC2)c3cc(C)ccc3C)=O)CN(S(=O)(=O)c4ccccc4)C1=O
+CC(C)N1C(C=CC(=C1)c2ncc(nc2-c3ccc(cc3)OC)N)=O
+CC(C)N1C(C=CC(c2c(nc(c(NCCN(C)C)n2)N)-c3ccccc3)=N1)=O
+CC(C)N1C(N(c2c(cc(OCc3c(cc(cc3)Cl)OC(C)C(OC)=O)cc2)F)C(=O)C1)=O
+CC(C)N1C(Oc2cc(cc(F)c12)N3C(=O)OC(C3)C(=O)N)=O
+CC(C)N1CCC(CC1)CC#Cc2c3c(c(nc(CCCC)n3)N)n(COCc4ccccc4)c2
+CC(C)N1CCC(CC1)COc2c3c(c(cc2C(NC(CC)(C(=O)O)C)=O)Cl)cccc3
+CC(C)N1CCC(CC1)Oc2ccc(cn2)N
+CC(C)N1CCC(CC1)Oc2ccc3c(c2)cc4n3C(CN(C4=O)CC5CC5)C
+CC(C)N1CCCN(CC1)CC=2c3cc(-c4c(ccc(C(NC5CC5)=O)c4)C)ccc3C(N(CC6CC6)C=2)=O
+CC(C)N1CCN(CC1)C2CN(C2)c3cc4c(C=CC(=O)N4Cc5ccc(cc5)OC)nc3
+CC(C)N1Cc2c(C1=O)cc3[nH]c(-c4c(NC(Cc5cc(ccc5C)F)C)ccnc4O)nc3c2
+CC(C)N1N=C(C=CC1=O)c2c3n(ccc(OCCN)c3)nc2-c4ccccc4
+CC(C)N1N=C(c2cc(ccc2)Cl)c3c(cccn3)C1=O
+CC(C)N1c2c(cc(c(c2)C)Br)CCC1
+CC(C)N1c2ccc(C(C)=C(F)C(OCC)=O)cc2CCC1
+CC(C)N1c2ccc(cc2CC1=O)N
+CC(C)NC(=O)C1CCC(CC1)Nc2cc(ncc2N)OCCOC
+CC(C)NC(=O)C1CCN(CC1)c2c3c(cc(n2)-c4ccnc(NC5CCOCC5)c4)cncc3
+CC(C)NC(=O)CNC(=O)c1cc(N2C3CNC(C3)C2)ccc1[N+](=O)[O-]
+CC(C)NC(=O)c1c(n[nH]c1)-c2nc3ccccc3[nH]2
+CC(C)NC(=O)c1cc(c(N2CCNCC2)cc1)F
+CC(C)NC(=O)c1ccc(N2CC(C2)(n3ncc(c3)-c4ncnc5c4cc[nH]5)CC#N)c(c1)F
+CC(C)NC(=O)c1ccc(c(-c2nc(c(N)cc2)C(=O)O)c1F)F
+CC(C)NC(=O)c1ccccc1Nc2c(F)cnc(Nc3ccc(cc3)CNCCS(=O)(=O)C)n2
+CC(C)NC(=O)c1nc(sc1C(O)=O)-c2cnc(cc2)NC(NCC)=O
+CC(C)NC(Nc1cnc2c([nH]c(n2)-c3cc(ccc3Cl)NC(=O)c4occc4)c1)=O
+CC(C)NCC1C(CNC1)CN(C(c2ccc(c(c2)OCCCOC)OC)=O)C(C)C
+CC(C)Nc1c2c(cc(cc2)-c3c(C)ccc(c3)C(Nc4ccnn4CC)=O)cnn1
+CC(C)Nc1c2c(nnc1I)cc(-c3ccc(cc3)S(=O)(=O)C)cc2
+CC(C)Nc1cc(C(=O)O)c(cc1C(=O)N)C
+CC(C)Nc1cc(ncc1-c2nnc(CN3CCOCC3)o2)Nc4ccc(cc4)C#N
+CC(C)Nc1cc2N=C(CC(Nc2cc1Cl)=O)c3cccc(-c4onc(C)c4)c3
+CC(C)Nc1ccn(n1)-c2nc3cc(OC)ccc3c(O)c2
+CC(C)Nc1n(C)c2ccc(cc2n1)N(c3ccnc(Nc4cc(c(Cl)cc4)S(=O)(=O)N)n3)C
+CC(C)Nc1sc(-c2cn3c(nc(C(NC)=O)c3)c(-c4ccccc4)c2)cn1
+CC(C)Nc1sc(-c2cn3cc(nc3c(c2)-c4ccccc4)C(=O)OCC)cn1
+CC(C)OC(=O)COc1cccc(CN(CCCCn2c(CCOC)nc3c2c4c(cccc4)nc3N)CCN(C)C)c1
+CC(C)OC(=O)N(c1cccc(F)c1C(OC)=O)CCCC(OCC)=O
+CC(C)OC(=O)c1c(N2CCC(NCc3cccc(CC)c3)C2)nccc1
+CC(C)OC(=O)c1cc(c(N2CC(C2)C(NS(=O)(=O)Cc3ccccc3)=O)nc1C(F)F)C#N
+CC(C)OC(=O)c1cccc(c1)C#Cc2cc(c(cc2)CC(O)=O)F
+CC(C)OC(=O)c1cccnc1N2CC(CC2)N(Cc3cccc(c3)CC)C
+CC(C)OC(=O)c1n(cnc1)C2c3c(CCC2)c(cc(Br)c3)F
+CC(C)OC(c1cc2c(cc1)C3=NN(C(C4CCCC4)C3CC2)c5cc(Cl)c(C#N)cc5)=O
+CC(C)OC(c1cccc(Cc2cc3c(C)c(-c4ccnc(N)n4)sc3cc2)c1)=O
+CC(C)OC1CC=C(c2onc(C(NC3=C(N(N(C4CCCCC4)C3=O)C)C)=O)c2C)CC1
+CC(C)OCCCn1c(nc2c(N)nc3c(ccc(N4CCCC4=O)c3)c12)COCC
+CC(C)OCCCn1c(nc2cnc3c(ccc(N4CCOCC4)c3)c12)COCC
+CC(C)OCCCn1c2c3c(cc(N4C(C=CC=C4)=O)cc3)nc(N)c2nc1COCC
+CC(C)OCc1cc(CO)cc(Br)c1
+CC(C)ON=C1CCC(CC1)N2c3ncnn3C(=C(C2=O)Cc4ccc(cc4)-c5c(C6=NOC(=O)N6)cccc5)CCC
+CC(C)Oc1c(C#N)cc(-c2onc(-c3c4c(C(NCCS(=O)(=O)C)CC4)ccc3)n2)cc1
+CC(C)Oc1c(C#N)cc(-c2onc(-c3ccc(cc3Cl)OCCCCN(C)C)n2)cc1
+CC(C)Oc1c(C#N)cc(-c2onc(n2)-c3c4c(C(O)CCC4)ccc3)cc1
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(-c3c(c(ccc3)CCCN4CC(C4)C(O)=O)CC)s2
+CC(C)Oc1c(C#N)cc(cc1)-c2ncc(-c3c4CCC(O)c4ccc3)s2
+CC(C)Oc1c(C(=O)NC(CO)Cc2c3ncccc3[nH]c2)cc(cc1)C#Cc4ccccc4OC
+CC(C)Oc1c(Cl)cc(F)c(N2C(C3=C(CCC3)N(C)C2=O)=O)c1
+CC(C)Oc1c(Cl)cc(c(N2C(=O)C3=C(C2=O)CCCC3)c1)F
+CC(C)Oc1c(N)ccc(c1)N2CCC3(N(CCC3)CC)C2
+CC(C)Oc1c(c2C(=O)N(CCc2cn1)Cc3c(nc(cc3C)C)O)Cl
+CC(C)Oc1c(cc(S(=O)(=O)C)cc1)C(N2CCN(CC2)c3sc4c(n3)ccc(OC)c4)=O
+CC(C)Oc1c(cc(S(=O)(=O)C)cc1)C(N2Cc3c(c(F)ccc3)C2)=O
+CC(C)Oc1c(cc(c(c1)C2=CCC(CC2)N(C)C)C)[N+]([O-])=O
+CC(C)Oc1c(cc(cc1)-c2c(C=O)cn[nH]2)Cl
+CC(C)Oc1c(cc(cc1)-c2ncc(cn2)-c3c(c(ccc3)OCCCC(O)=O)CC)C#N
+CC(C)Oc1c(cc(cn1)-c2c(C)ncc(N)c2)N3CCOCC3
+CC(C)Oc1c2c(C)c(oc2ccc1Br)CCl
+CC(C)Oc1cc(-n2c(C)c(c(C)n2)C)c(F)cc1Cl
+CC(C)Oc1cc(CCc2[nH]nc(c2)Nc3ccnc(n3)NCc4onc(c4)C)ccc1
+CC(C)Oc1cc(OCCN(C)C)ccc1Nc2cccc(c2C(OC)=O)C(OC)=O
+CC(C)Oc1cc(Oc2nccnc2)cc3B(O)OC(CC(O)=O)c13
+CC(C)Oc1cc([nH]n1)Nc2c(ccc(n2)NC(C)c3ncc(F)cc3)[N+]([O-])=O
+CC(C)Oc1cc(c(cc1)C)C(=O)N2CCC(CC2)N3C(=O)C(C)(C)C(c4cc(OC)c(OC)cc4)=N3
+CC(C)Oc1cc(ccc1)-c2cncc3cc(C=C4C(=O)NC(=O)S4)oc23
+CC(C)Oc1cc(ccc1)CC(O)C
+CC(C)Oc1cc(ccc1C#CC2CC2)C(=O)NS(=O)(=O)c3ccccc3S(=O)(=O)N
+CC(C)Oc1cc(ccc1C#N)OCC
+CC(C)Oc1cc(n[nH]1)-n2c3c(cnc(NC(c4ccc(F)cn4)C)n3)nc2
+CC(C)Oc1ccc(-c2cc(C(O)=O)no2)cc1Cl
+CC(C)Oc1ccc(-c2cc(no2)COc3ccc(cc3)C#N)cc1Cl
+CC(C)Oc1ccc(-c2nc(-c3ccc(Br)c4c3ccn4CC)no2)cc1Cl
+CC(C)Oc1ccc(-c2nc(-c3ccc(c4c3occ4)OCCCC(=O)O)no2)cc1Cl
+CC(C)Oc1ccc(-c2onc(-c3cccc4c(CNCCC(=O)O)cn(C)c34)n2)cc1Cl
+CC(C)Oc1ccc(C(C)=O)nc1
+CC(C)Oc1ccc(CN2Cc3ccc(cc3CC2)C(C)NC(=O)C)c(C)c1
+CC(C)Oc1ccc(S(=O)(=O)N)cc1Nc2scc(-c3c(C)nc(C)n3C)n2
+CC(C)Oc1ccc(c(c1Cl)COS(=O)(=O)C)Cl
+CC(C)Oc1ccc(cc1)-c2cc(cc(n2)-c3ncccc3)F
+CC(C)Oc1ccc(cc1C#N)-c2nc(no2)-c3ccc4c(cc[nH]4)c3
+CC(C)Oc1ccc(cc1C(N2CCC(Oc3c(cc(cc3F)C(=O)CC)F)C2)=O)S(=O)(=O)C
+CC(C)Oc1cnc2[nH]c(cc2c1)C(CC3CCCC3)c4ccc(cc4)S(=O)(=O)C
+CC(C)Oc1n2c(ccc1)nc(-c3c(cccc3F)Cl)c2Nc4ccc5OCCOc5c4
+CC(C)Oc1ncc(-c2nc(-c3cc4c(n(CCCC(O)=O)nc4)cc3C)no2)cc1Cl
+CC(C)Oc1ncc(-c2onc(-c3cc4cnn(CCCC(O)=O)c4cc3F)n2)cc1Cl
+CC(C)Oc1ncc(OCc2c(cc(C(=O)NS(=O)(=O)N3CCC3)c(c2)F)F)cc1Cl
+CC(C)Oc1ncc(Oc2ccc(C(=O)NS(=O)(=O)C)cc2-c3c(nccc3)OC)cc1Cl
+CC(C)Oc1ncc(c(C(=O)OC)c1C)OCCN
+CC(C)Oc1nn(c(c1)CCC(=O)NS(=O)(=O)C(C)C)Cc2c(cc(cc2)Cl)Cl
+CC(C)S(=O)(=O)NC1C(CCC1)(c2ccc(cc2)Oc3ccccc3)O
+CC(C)S(=O)(=O)NC1CCCC1c2ccc(cc2)NS(=O)(=O)C
+CC(C)S(=O)(=O)NC1CCCCC1(O)c2ccc(cc2)OC
+CC(C)S(=O)(=O)NCC(C)c1cc2c(cc(OCCNS(=O)(=O)C(C)C)cc2)cc1
+CC(C)S(=O)(=O)c1ccccc1Nc2nc(Nc3cc(c(C4CCN(CC4)S(=O)(=O)C)c5CC(C)Oc35)C)ncn2
+CC(C)SCCCCCCCCCCCC(=O)Nc1ccccc1OCCCC(=O)N
+CC(C)[SiH](C(C)C)c1c(C)cc(cc1C)OCCC(=O)NCc2ccccc2
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)CC(=O)N2C(COC2=O)Cc3ccccc3
+CC(C)[Si](C(C)C)(C(C)C)OCCN1CCN(CC1)c2nnc3ccc(OC4CCC(c5c4cccc5)N)cn23
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1)C(CN2CCC(CC2)(O)c3ccc4CCOCc4c3)=O)F
+CC(C)[Si](C(C)C)(C(C)C)Oc1ccc2cccc(C=C)c2c1
+CC(C)[Si](C(C)C)(C(C)C)Oc1cccc2nc(cnc12)O
+CC(C)[Si](C(C)C)(C(C)C)n1c(c(-c2ccncc2)c(c1)Br)-c3ccc(cc3)F
+CC(C)c1[n+]([O-])cccc1CCl
+CC(C)c1[nH]nc(c1Cc2ccccc2OCc3cc(F)ccc3)OC4OC(C(C(C4O)O)O)CO
+CC(C)c1c(C(=O)C)cnc(Cl)c1
+CC(C)c1c(C)nc(C)c(CN)c1
+CC(C)c1c(OC)cc(C)c(C(C(=O)NN)CCCCl)c1
+CC(C)c1c(OC)cc(c(Oc2c(Br)cc(cc2Br)CC(O)=O)c1)C(c3cc(C)ccc3)=O
+CC(C)c1c(Oc2cnc(nc2N)N)cc(c(c1)OC)C(N)=S
+CC(C)c1c(c(no1)COc2c(Cl)cccc2Cl)COc3cc4c(cc3)n(cc4)Cc5cc(ccc5)C(=O)O
+CC(C)c1c(c2c(n1Cc3ccccn3)cc(Oc4cccnc4)cc2)C(NCc5cc(F)c(cc5)F)=O
+CC(C)c1c(c2ccc(cc2n1Cc3ccccc3)OCOC)C(NCc4cc(F)c(cc4)F)=O
+CC(C)c1c(cc(C2=NCCN2)c(OC)c1)Oc3cnc(nc3N)N
+CC(C)c1c(ccc(C(=O)n2ccc3c([N+]([O-])=O)ccc(C)c23)c1)OCc4ccccc4
+CC(C)c1c(n(nc1)-c2c(Cl)cccc2Cl)COc3ccc(c(c3)C)-c4cc(OCCCC)c(C(O)=O)cc4
+CC(C)c1c(n2ncc(Br)c2nc1C)OC
+CC(C)c1c(nc(cc1)Nc2cc(NC3C(N)COCC3)nnc2C(=O)N)OC
+CC(C)c1c2c(n(c1)C)c(C(NCc3c(cc(C)nc3O)C)=O)cc(c2)-c4cnc(C)cc4
+CC(C)c1c2c(ncnc2sc1)N3C4CC(OCCN5CC6CC5CO6)C(C4)C3
+CC(C)c1cc(Br)cc2c1[nH]cc2
+CC(C)c1cc(Cl)cc(c1O)N
+CC(C)c1cc(OC)c(OC)cc1Cc2cnc(nc2NCC)N
+CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)CC(O)=O)nnc1O
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2cc(c(cc2)C(O)=O)O)C(c3c(Cc4ccccc4Br)oc(C)c3C)=O
+CC(C)c1cc(cc(C(C)C)c1OS(=O)(=O)c2ccc(c(c2)O)C(O)=O)C(=O)c3c(c(oc3Cc4cc(Br)ccc4)C)C
+CC(C)c1cc(ccc1)NC(c2cc(ccc2)N3CCc4c(C3)cncc4C(=O)NCC(OC)=O)=O
+CC(C)c1cc(nc(n1)N2CCN(CC2)S(=O)(=O)c3ccc(cc3)OC)Nc4ccc(cc4)C
+CC(C)c1cc2c(s1)N=c3n(cc(cc3)-c4[nH]nnn4)C2=O
+CC(C)c1ccc(cc1)-c2c(cccc2C)C(Nc3cnc(N4CCN(CC4)CC(N)=O)cc3)=O
+CC(C)c1ccc(cc1)-c2ccnc(c2)Cl
+CC(C)c1ccc(cc1)Cc2c(C)cc(cc2OC)C
+CC(C)c1ccc(cc1C)NC(c2cc(-c3cc(c(nc3)O)N)ccn2)=O
+CC(C)c1cccc(C(C)C)c1-n2ccnc2-c3cccc(c3)-n4c5c(c6ccccc46)ccc(C#N)c5
+CC(C)c1cccc(C(C)C)c1NC(C)(C)c2nc(-c3c4ccccc4ccc3CNc5c(cc(cc5C)C)C)ccc2
+CC(C)c1cccc(C)c1CCl
+CC(C)c1cncc(N)c1
+CC(C)c1n(CCCCCBr)c2ccccc2n1
+CC(C)c1n(Cc2ccccc2)c3cc(C(NCC#C)=O)ccc3c1C(=O)NCc4cc(F)c(cc4)F
+CC(C)c1n(c2c(c1C(=O)NCc3cc(F)c(cc3)F)ccc(C(O)=O)c2)Cc4occn4
+CC(C)c1n(nnn1)-c2cc(C(=O)NCc3ncc(nc3)C)cc(-c4ccc(cn4)Cl)c2
+CC(C)c1n2c(ccc(OC3c4c(C(CC3)NC(Nc5cnn(c5)-c6ccc(cc6)C)=O)cccc4)c2)nn1
+CC(C)c1nc(-c2ccc(c(Cl)c2)Cl)c3c(sc(c3N)C(=O)N)n1
+CC(C)c1nc(N2CCC(CC2)N(C(c3cc(c(cc3)-n4cncn4)F)=O)C5CC5)on1
+CC(C)c1nc(c(-c2c(nc(c(Br)n2)NC(C)COC)Cl)cc1)OC
+CC(C)c1nc(c([N+](=O)[O-])c(c1)N)O
+CC(C)c1nc(c(c(c1C=CCCC)-c2ccc(cc2)S(=O)(=O)C)CO)C(C)C
+CC(C)c1nc(sn1)N2CCC(CC2)N3C(=O)C(Cc4ccc(cc4)S(=O)(=O)C)CC3
+CC(C)c1nc2c(n1-c3cccc(Oc4cc(S(=O)(=O)C(C)C)ccc4)c3)cccc2Cl
+CC(C)c1ncc(NCc2cn(nc2)C=C)cc1
+CC(C)c1nn2c(ccc(C(=O)Nc3c(Cl)cncc3Cl)c2c1)OC
+CC(C)c1nnc(-c2cc(N)ccc2)o1
+CC(C)c1nnc2c(ccc(SC)n12)C(O)=O
+CC(C)c1noc(C2CCN(CC2)c3ncnc(Oc4ccc(cc4)C(CO)CO)c3[N+]([O-])=O)n1
+CC(C)c1oc(-c2c(N)ncc(c2)-c3ccc4[nH]ccc4c3)nn1
+CC(C)c1oc(CCN)nc1
+CC(C)c1oc(CCN)nn1
+CC(C)c1onc(N2CCN(CC2)c3ncc(-c4ccc(N5C(N(C)N=C5)=O)c(c4)F)cc3C#N)n1
+CC(C)c1onc(c1CC(=O)NCc2c(cc(F)cc2)Cl)C(C)C
+CC(C)c1onc(c1COc2ccc(cc2)-c3ccc4c(c3)ccc(C(O)=O)n4)CS(c5c(cccc5Cl)Cl)=O
+CC(C)c1sc(-c2nc(ncc2)NC)c(-c3cc(ccc3)NS(=O)(=O)c4cc(ccc4)F)n1
+CC(C)c1scc(CN(C)C(=O)NC(C(C)C)C(=O)O)n1
+CC(C)n1c(Nc2ncc(Cl)c(c2)Nc3ccc(F)cc3C(NOC)=O)cc(C)n1
+CC(C)n1c(ncc1-c2ccnc(Nc3ccc(cc3)S(=O)(=O)NCCOC)n2)C=O
+CC(C)n1c2c(c(C(c3cc(NC(Cc4coc(C5CC5)n4)=O)ncc3)=O)n1)cncc2
+CC(C)n1c2c(c(C(c3ccnc(c3)NC(=O)Cc4ncc(C#N)cc4)=O)c1)cncn2
+CC(C)n1c2c(c(cc(Br)c2)C(=O)NCc3c(O)nc(CO)cc3C)c(C)c1
+CC(C)n1c2c(c(cc(n2)C(=O)C)C(=O)NCc3c(nc(C)cc3C)O)cn1
+CC(C)n1c2c(ccc(c2)COC)c(c1)C=3C(NC(=O)C=3c4c5c(cccc5)n(c4)C)=O
+CC(C)n1c2c(nc1Nc3ccc(cc3)C(=O)OC)cc(cc2)Br
+CC(C)n1c2cc(ccc2c(C(=O)Nc3nccs3)c1)O
+CC(C)n1cc(-c2cc(Br)c(F)cc2)c(-c3nc(ccc3)C)n1
+CC(C)n1cc(c2c1cc(cc2)C)C(=O)Nc3nccs3
+CC(C)n1cnc(-c2cc3nccc(Oc4c(cc(NC(=O)CC(Nc5c(OC)cccc5)=O)cc4)F)c3s2)c1
+CC(C)n1cnc2c(nc(NC(CC)C(C(C)C)O)nc12)NCc3cccnc3
+CC(C)n1nc(-c2c(F)ccc(NS(=O)(=O)CCC)c2F)c(-c3ccnc(n3)NCC(C)NC(=O)OC)c1
+CC(C)n1nc(-c2cc3c(cc2)N(CC3)C(=O)Cc4cc(F)ccc4F)c5c1ncnc5N
+CC(C)n1nc(-c2sc(Cl)cc2)c(-c3ccnc(N)n3)c1
+CC(C)n1nc(cc1)-c2scc(c2)Br
+CC(C)n1nc2c(cccc2c1-c3c(cc(cc3)OC)OC)F
+CC(C)n1ncc(c1)-c2cc(Oc3ccc(N)c(c3)F)ccn2
+CC(C)n1ncc2c(C(NCc3c(nc(C)cc3C)O)=O)cc(-c4cccc(c4)CN(C)CCCN(C)C)nc12
+CC(C)n1ncc2c(cc(-c3ccncc3)nc12)C(NCc4c(O)nc(CC)cc4C)=O
+CC(C)n1ncc2c1nc(-c3cnc(nc3)N)cc2C(NCc4c(nc(C)cc4C)O)=O
+CC(C)n1ncc2cc(ccc12)OC(c3ccccc3)C(NS(=O)(=O)C)C
+CC(CC(CN)CC(=O)O)CCCCC
+CC(N1CCc2c(cccc2Cl)CC1)=O
+CC(c1cc(cc(c1)Cl)C(=O)OC)=O
+CC(c1ccc2N(C(Sc2c1)=O)COC)c3nc(cs3)-c4nnccc4
+CC(n1ccc2cc(ccc12)OCCCOc3ncc(cc3)C(=S)N)C(=O)OC
+CC1(C)C(=O)N(CC)c2c(N(C1=O)C)cc(OCCCn3c(CN4C=Cc5c(cc(C)o5)C4=O)nc6ccccc36)cc2
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4[nH]nc5ccc(C(=O)N=CN(C)C)cc45)[nH]3)CC
+CC1(C)C(=O)N(c2cc3c(cc12)nc(-c4cc([nH]n4)C)[nH]3)CCN(CC)CC
+CC1(C)C(=O)N2CC(c3nc(Br)c4c(N)nccn34)CCC2C1
+CC1(C)C(=O)c2c(C1)cc(CCCCCC)c(O)c2
+CC1(C)C(C(=O)O)CCC(O)(c2sc(cn2)-c3cc(cc(c3)C)Nc4nccc(C)n4)C1
+CC1(C)C(C(OCc2c3c(ccc2)-c4c(cccc4)CCC3)=O)C1C=C(F)F
+CC1(C)C(C)(C)OB(O1)CCCCC(NC(=O)C)(C2CCN(CC2)Cc3ccccc3)C(NC(C)(C)C)=O
+CC1(C)C(C)(C)OB(O1)c2c(C)c(ccc2)N3C(=O)c4c(c(Cl)ccc4)N(C3=O)C
+CC1(C)C(C)(C)OB(O1)c2c(C)n(nc2)CC3COC(C)(C)O3
+CC1(C)C(C)(C)OB(O1)c2c(COC(=O)C)c(N3C(c4c(OCC3)cc(C5CC5)cc4F)=O)ccc2
+CC1(C)C(C)(C)OB(O1)c2c(F)c(c(F)cc2)-c3c(C#N)cc(cc3)F
+CC1(C)C(C)(C)OB(O1)c2c(F)cc3c(OC(N3C)=O)c2
+CC1(C)C(C)(C)OB(O1)c2c(OC)cc(cc2)-c3oc4c(n3)cccc4
+CC1(C)C(C)(C)OB(O1)c2c(OC)ccc(-c3cnc(cc3C)C(OC)=O)c2
+CC1(C)C(C)(C)OB(O1)c2c(c(ccc2)N3C(=O)c4c(C=N3)cc(cc4)C5CC5)C
+CC1(C)C(C)(C)OB(O1)c2c(c(ccc2)N3C(=O)c4ccccc4N(C)C3=O)C
+CC1(C)C(C)(C)OB(O1)c2c(cc(cc2C)C=CC#N)C
+CC1(C)C(C)(C)OB(O1)c2c(ccc(-c3c(nccc3)C)c2)OC
+CC1(C)C(C)(C)OB(O1)c2cc(-c3cccc4c5c(cccc5)sc34)cc(c2)-c6ccc7-c8ccccc8C(C)(C)c7c6
+CC1(C)C(C)(C)OB(O1)c2cc(C(C)(C)CC(OC)=O)ccc2OC
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(c(C)c2)C3=C(OC)CC(CC#C)C3=O
+CC1(C)C(C)(C)OB(O1)c2cc(Cl)c(C)nc2
+CC1(C)C(C)(C)OB(O1)c2cc(NC(=O)c3cc4c(CC(C)(C)C4O)s3)c(cc2)F
+CC1(C)C(C)(C)OB(O1)c2cc(c(OCC(OCC)=O)cc2)OCC
+CC1(C)C(C)(C)OB(O1)c2cc(c(OCc3c(cccc3N4N=NN(C)C4=O)OC)cc2)C
+CC1(C)C(C)(C)OB(O1)c2cc(c3c(CCCO3)c2C)Cl
+CC1(C)C(C)(C)OB(O1)c2cc(ncc2Cl)N
+CC1(C)C(C)(C)OB(O1)c2cc3CC(C)(C)Oc3cc2
+CC1(C)C(C)(C)OB(O1)c2cc3CC(NS(=O)(=O)C(C)C)Cc3cc2
+CC1(C)C(C)(C)OB(O1)c2cc3CN(C(=O)c3cc2)C
+CC1(C)C(C)(C)OB(O1)c2cc3NCCOc3cc2C
+CC1(C)C(C)(C)OB(O1)c2cc3c(C(=O)NC)c(-c4ccc(cc4)C#N)oc3cc2N(S(=O)(=O)C)C
+CC1(C)C(C)(C)OB(O1)c2cc3c([nH]2)c(OCC)ccc3
+CC1(C)C(C)(C)OB(O1)c2cc3c(c(-c4c(F)cc(cc4)F)oc3cc2N(S(=O)(=O)C)C)C(=O)NC
+CC1(C)C(C)(C)OB(O1)c2cc3c(c(C)c2)[nH]c(n3)N
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)C(=O)N(CC3)C
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)CC(NC(OCc4ccccc4)=O)CC3
+CC1(C)C(C)(C)OB(O1)c2ccc(Cl)c(NC(c3c(Cl)cc(cc3)Cl)C)c2
+CC1(C)C(C)(C)OB(O1)c2ccc(OCCN(C)C)c(c2)NS(=O)(=O)C
+CC1(C)C(C)(C)OB(O1)c2ccc(c(c2)C)C(Nc3cc(ccn3)C4CC4)=O
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)NC(Nc3ccc(C(N(C)C)=O)c(c3)F)=O
+CC1(C)C(C)(C)OB(O1)c2ccc3CCC(Oc3c2)c4ccc(cc4)-c5cc(ccc5F)OC
+CC1(C)C(C)(C)OB(O1)c2ccc3c(c2)N(CC(C)N3)C(C4CC4)=O
+CC1(C)C(C)(C)OB(O1)c2ccc3c4cnn(C(=O)C)c4ncc3c2
+CC1(C)C(C)(C)OB(O1)c2ccc3nc(c(cc3c2)N4CCOCC4)NCc5ccc(cc5)OC
+CC1(C)C(C)(C)OB(O1)c2cccc(N3C(c4c(NC3=O)c(Cl)ccc4)=O)c2C
+CC1(C)C(C)(C)OB(O1)c2cnc(N(C)C3CCOCC3)cc2
+CC1(C)C(C)(C)OB(O1)c2cnc(OCC)c(C(F)(F)F)c2
+CC1(C)C(CC1N)C(NCCC(=O)OC)=O
+CC1(C)C(CC=C(C)CO)CC2C1(C2)C
+CC1(C)C(CCC(N2CCN(CC2)C)C1)N
+CC1(C)C(Cc2c(ccc(F)c2)O1)CCNCCC(=O)OC
+CC1(C)C(N(c2c(cc(cc2)C(=O)O)N(C)C1=O)CC)=O
+CC1(C)C(N(c2cc(CNCCN3C(=O)c4cc(oc4C=C3)C)ccc2N(CC)C1=O)C)=O
+CC1(C)C(OC(C)(C)O1)c2nsc(n2)Nc3c(Oc4n(ncc4)CC)cc(Sc5ccccn5)cn3
+CC1(C)C(c2c(O1)c(c(c(N)c2C)C)C)c3ccc(cc3)C
+CC1(C)C(c2c(c(ccc2Cl)N=C=O)O1)=S
+CC1(C)C(c2cccc(-c3ccc(cc3)S(=O)(=O)C)c2)Nc4c(cc(C(=O)NS(=O)(=O)C5CC5)cc4)C1
+CC1(C)C2CC(C(C)C1C2)C(N)=O
+CC1(C)C=C(C)c2c(ccc(c2CNc3ccccc3OC)-c4ccc(cc4OC)OS(=O)(=O)CCC)N1
+CC1(C)C=C(c2c(cc(OCC)c(c2)Br)O1)C(C)C
+CC1(C)CC(=O)C2=C(NC(=C(C2c3ccccn3)C(=O)OCC)COCCN)C1
+CC1(C)CC(C)(C)C=C(C1)c2c(N3CCN(CC3)CC4CCOCC4)cccc2F
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)-c3c(cccc3)CO)c4ccc(cc4)O
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)N)c3ccc(cc3)O
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)C=CC(=O)O)c3ccc(O)c(F)c3
+CC1(C)CC(CC(C)(C)C1)=C(c2ccc(cc2)OCC(=O)N)c3ccccc3
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(-c3ccc(-n4ccc(n4)N)cc3O)nn2)C
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(O)cc4nccc(OC)c4c3)C
+CC1(C)CC(CC(C)(C)N1)N(c2ccc(nn2)-c3c(cc(cc3)-c4cnc[nH]4)O)C
+CC1(C)CC(CC(C)(C)N1)N(c2sc(nn2)-c3c(cc(cc3)-n4nccc4)O)C
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(C)(C)N)ccn2
+CC1(C)CC(CC(C)(C)N1)Nc2nc(-c3ccc(cc3)CCC(N)C)ccn2
+CC1(C)CC(CC(C)(C)N1)Nc2nc(ccn2)-c3ccc(cc3)C4(CCN(CC4)C)O
+CC1(C)CC(CC(C)(C)N1)Nc2nccc(n2)-c3ccc(CCC(C)(C)N)s3
+CC1(C)CC(CC(C)(C)N1C)Nc2ncc3c(n(-c4ccc(cc4)OC)nn3)n2
+CC1(C)CC(CC(C)(C)N1Cc2ccc(cc2)Cl)N
+CC1(C)CC(CC(C)(C)O1)C(=O)C=[N+]=[N-]
+CC1(C)CC(CC)C(C)(C)c2cc(C)c(C(C)=O)cc12
+CC1(C)CC(CCC1O)Nc2c(C#N)cnc(n2)NCCc3cc(Cl)c[n+]([O-])c3
+CC1(C)CC(CCC1O)Nc2c(cnc(NCCc3c4c(n(C)c3)cccc4)n2)C#N
+CC1(C)CC(CCC1O)Nc2nc(ncc2C#N)NCCc3c(ccc(Cl)c3)S(=O)(=O)N
+CC1(C)CC(CNc2cnc(c(-c3cc(ncc3Cl)F)c2)Cl)CCO1
+CC1(C)CC(Nc2c(cc(cc12)CCCN3CCN(CC3)c4nsc5c4cccc5)CC)=O
+CC1(C)CC(c2c(nn(-c3ccc4c(c(Br)cnc4N)c3)c2C1)C)=O
+CC1(C)CC1C(=O)Nc2c3c(F)c(cnc3[nH]c2)Br
+CC1(C)CC2(CC2)Oc3c(cc(cc13)C#Cc4ccc(c(F)c4)C(=O)O)C5CC5
+CC1(C)CC2(OCCO2)CC(C)(C)N1c3nc(N(CCO)CCO)nc(n3)N4CCOCC4
+CC1(C)CC2=C(C(=O)C1)C(c3c(N2)c(C(N)=O)[nH]c3)c4ccc(Sc5[nH]c6ccccc6n5)o4
+CC1(C)CC=C(CC1)c2cc(C3(CCS(CC3)(=O)=O)C#N)ccc2NC(=O)c4[nH]c(C#N)cn4
+CC1(C)CCC(=CC1)c2c(cc(C(C)(C)O)cc2)NC(c3nc(c[nH]3)C#N)=O
+CC1(C)CCC(=CC1)c2c(ccc(c2)CCS(=O)(=O)N(C)C)NC(=O)c3nc(c[nH]3)C#N
+CC1(C)CCC(C)(C)C1C(=O)Cl
+CC1(C)CCC(C)(C)C1OC(=O)C2(CC2)N
+CC1(C)CCC(C)(C)c2c1cc(C(=O)CC)c(O)c2
+CC1(C)CCC(C)(C)c2c1cc(O)c(c2)C(C)=O
+CC1(C)CCC(C)(C)c2cc(-c3nc(ccc3)N4CCC(CCC4)NCCCCO)ccc12
+CC1(C)CCC(C)(C)c2cc(ccc12)-c3c(OCCCNC)ccc(-c4ccc(cc4)C(O)=O)c3
+CC1(C)CCC(Nc2ccc(cc12)Nc3nc(c(Cl)cn3)Nc4c(ccc([N+](=O)[O-])c4)C(=O)NC)=O
+CC1(C)CCC(c2c(ccc(CCC(=O)N)c2)NC(=O)c3nc(c[nH]3)C#N)=CC1
+CC1(C)CCC(c2c1ccc(c2)Br)(CC(=O)OCC)OC(C)=O
+CC1(C)CCC(c2cc(ccc2N)C3CC(=O)NC(C3)=O)=CC1
+CC1(C)CCCC(C)(C)N1c2nc(N3CCNCC3)cc(N4CCCC4)n2
+CC1(C)CCc2c1cc(C=O)c(O)c2Br
+CC1(C)CN(C)C(c2nnc3n2cc(OC4CCC(c5c4cccc5)N)cc3)C1
+CC1(C)CN(c2c(C)c(-c3ccccc3)nc4c2cccn4)c5c1ncc(N6CCOCC6)c5
+CC1(C)CN(c2c1cc(Br)cc2)S(=O)(=O)c3cc(c(OCC(=O)OCC)cc3)C
+CC1(C)CN(c2c1ncc(N3CCOCC3)c2)c4c5cccnc5nc(c4C)-c6cc(F)cnc6
+CC1(C)COC(CO1)CNc2c(ccc(O)n2)F
+CC1(C)CON(Cc2ccc(NC(OC)=O)cc2Cl)C1=O
+CC1(C)COc2cccc(Oc3ncc(cn3)N4C(C(C)(C)NC4=O)=O)c12
+CC1(C)Cc2[nH]nc(-c3cc4c(cc(N(C)C(=O)C(C)N5CCOCC5)cc4)[nH]3)c2CC1
+CC1(C)Cc2c(C)c(N3CCN(CC3)c4c(OC)cc(OC)cc4)c(c(C)c2O1)C
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(-c5cc6c(nc5)[nH]c(C(F)F)n6)ccc4OCC3
+CC1(C)Cc2c(CC1)ncnc2N3Cc4cc(-c5cc6nc(CCC)[nH]c6nc5)ccc4OCC3
+CC1(C)Cc2c(c(c(C3CC(=O)C=C(O)C3)c(c2O1)Cl)C)C
+CC1(C)Cc2c(cc(NC(c3ccc(Br)cn3)=O)cc2)C4(NC(OC4)=N)C1
+CC1(C)Cc2c(n3c(c2)C(N(CC3)c4nccc(C5=CN(C)C(=O)C(Nc6cccc(n6)N)=C5)c4COC(C)=O)=O)C1
+CC1(C)Cc2cc(cc(C(O)=O)c2O1)-n3nnnc3
+CC1(C)Cc2cc(cc(CCl)c2O1)Br
+CC1(C)Cc2cc(ccc2NC1c3cccc(c3)NS(=O)(=O)C)C(O)=O
+CC1(C)Cc2ccc(cc2C=C1)C#N
+CC1(C)Cc2nc(ccc2CC1)C(NC(C)(C)c3noc(n3)C)=O
+CC1(C)N(C(C)(C)c2c1cc(cc2)Nc3ncc(c(NC4CCCN(C(C=C)=O)C4)n3)F)C
+CC1(C)N(CCN(C1)c2c(OC)cc(N)cc2)C3COC3
+CC1(C)N(CCNC1)C
+CC1(C)N2c3c(C(=O)C(=C2)C(NCc4ccc(cc4)Cl)=O)cc(cc3C1)C#CCO
+CC1(C)Nc2ccc(Br)c(CNc3ccccc3OC)c2N(C1=O)C
+CC1(C)OB(OC1(C)C)C=2C=C(C(=O)N(C)C=2)Nc3nn4CCN(CCOC)Cc4c3
+CC1(C)OB(OC1(C)C)C=2C=C(Nc3ncc(N4C(CN(CC4)C5COC5)CC)cc3)C(=O)N(C)C=2
+CC1(C)OB(OC1(C)C)c2c(C)c(ccc2)NC(=O)c3cc4CCCCc4s3
+CC1(C)OB(OC1(C)C)c2c(C=O)cc(Oc3ccc(c(OCCOC4CCCCO4)n3)C#N)cc2
+CC1(C)OB(OC1(C)C)c2c(F)cc3OC(C)(C)CNc3c2
+CC1(C)OB(OC1(C)C)c2c(OCC(C)(C)O)cccc2C=O
+CC1(C)OB(OC1(C)C)c2c(ccc(c2)NC(=O)c3c(cc(S(=O)(=O)C)cc3)Cl)Cl
+CC1(C)OB(OC1(C)C)c2c3c(ccc2CNC(C)(C)C)cccc3
+CC1(C)OB(OC1(C)C)c2cc(-c3ccc(cc3C)C(OC)=O)ccc2CC
+CC1(C)OB(OC1(C)C)c2cc(C(=O)OC)cc([N+](=O)[O-])c2
+CC1(C)OB(OC1(C)C)c2cc(Cc3ccccc3)c(O)cc2
+CC1(C)OB(OC1(C)C)c2cc(N3CC(N(C)C)CC3)ccc2
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)OC)Cc3ccccc3
+CC1(C)OB(OC1(C)C)c2cc(ccc2)N3C(=O)C=CC=C3
+CC1(C)OB(OC1(C)C)c2cc(ccc2F)CCC(OC)=O
+CC1(C)OB(OC1(C)C)c2cc3c(N(C)CCC3)cc2
+CC1(C)OB(OC1(C)C)c2ccc(CC)c3[nH]ccc23
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3[nH]c(nc3)C4CC(C)CN4C(=O)C(NC(=O)OC)C(C)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3cc(NC(=O)C4CCCN4C(=O)C(NC(=O)OC)C(C)C)ccc3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3cnc(C4N(C(OC(C)(C)C)=O)C5CCC4C5)[nH]3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)-c3ncoc3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=O)N(CCN(C)C)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCC3CC(C3)OC4OCCCC4
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCc3cnc(OC)cc3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)P(O)(O)=O
+CC1(C)OB(OC1(C)C)c2ccc3ccn(C)c3c2F
+CC1(C)OB(OC1(C)C)c2cccc(N3CCC(CC3)C(N(C)C)=O)c2
+CC1(C)OB(OC1(C)C)c2cnc3c(c(C(C)C)c[nH]3)c2
+CC1(C)OC(=CC1=O)c2ccc(cc2)OC
+CC1(C)OC(=O)C(C(=O)O1)C(c2c[nH]c3c(cccc23)CSC)c4ccc5sccc5c4
+CC1(C)OC(C(O1)=O)=CC(=O)N(OC)Cc2cc(c(cc2)C)F
+CC1(C)OC(Cn2c3c4c(cc(Br)cc4)nc(N)c3nc2COCC)CO1
+CC1(C)OC2C(C(n3cnc4c(N)ncnc34)OC2CN(C)CCC(C)(C)N)O1
+CC1(C)OC2C(O1)C(Nc3nc(nc(OC)c3I)SC)CC2CO
+CC1(C)OC2CCCCC2N1c3nc4ccc(CNc5ncncc5N)cc4s3
+CC1(C)OCC(C2(CC2)O)N(C(=O)c3cn4c(nc(n4)NCc5cccc(Cl)c5)c(OC)c3)C1
+CC1(C)OCC(CCO)N(C(c2cc(c3oc(nc3c2)NC(C)c4cc(ccn4)Cl)OC)=O)C1
+CC1(C)OCC(N(C1)C(=O)c2cn3c(nc(n3)NCc4cccc(Cl)c4)c(OC)c2)CCO
+CC1(C)OCCC(N2CCN(C(Nc3ccc(Oc4cc(ncc4)-c5cn(nc5)C)cn3)=O)C2=O)C1
+CC1(C)Oc2c(C(C(C)C)=C1)cc(c(OCC)c2)C(=C(F)C(OCC)=O)C
+CC1(C)Oc2c(O1)ccc(c2)CN
+CC1(C)Oc2c(cc(cc2C1)Cl)CBr
+CC1(C)Oc2c(cc(cc2C1)Cl)O
+CC1(C)Oc2c(cccc2)NC1=O
+CC1(C)c2c(C(C)(C)CC1)c(cc(C(C#Cc3cc(O)c(cc3)C(O)=O)O)c2)OCCOCC
+CC1(C)c2c(C(C)(C)CC1)cc(c(c2)C)-c3nc(ccc3OC)C=O
+CC1(C)c2c(N(C)C1=O)cc(-c3oc(N4CCN(CC4)C)nc3)cc2
+CC1(C)c2c(N(C)C1=O)cc(O)cc2
+CC1(C)c2c(OC)c(C#N)c(cc2C(C)(C)CC1)C
+CC1(C)c2c(c(cc(c2)N)C)NC(C1)=O
+CC1(C)c2c(ccc(-c3cc(cc(C#N)c3)F)c2)NC(=S)O1
+CC1(C)c2c(ccc(C#C)c2)OC(C1)=O
+CC1(C)c2cc(OC)c(cc2CCC1=O)CC
+CC1(C)c2cc(c(C=Cc3ccc(cc3)C(=O)O)cc2C(C)(C)CC1=O)Cn4nccc4
+CC1(C)c2cc(cc(c2OC1)Br)C(=O)NC
+CC1(C)c2cc(ccc2N=C1C)OCCCCCC(O)=O
+CC1(C)c2ccc(-c3cnccc3)c(F)c2N(C)C1=O
+CC1(C)c2ccc(CC)cc2-c3n(ccc13)CC(C)N=[N+]=[N-]
+CC1(C)c2ccccc2N(CC1)c3ccccc3NC(=S)N
+CC1(C)c2ncc(C=3CCOCC=3)cc2N(c4c(C)c(nc5c4ccc(c5)F)-c6ccccn6)C1
+CC12CCC(CC1CC(C3C4CCC(C4(C)CCC23)C(C)CCC(=O)O)=O)O
+CC1CC(CC(C)C1)CC(O)=O
+CC1CC(N(C1=O)Cc2cc(-c3scc(C)n3)ncc2)c4c(F)cccc4OC
+CC1CN(CC(C)O1)c2c(cc(c(F)c2F)-c3cnc(C)cn3)C=O
+CC1CNCC(C)C1NC
+CC1c2c(CCNC1)cc(OCC=C)c(c2)Br
+CCC#Cc1ccc2c(c1Cl)cnn2C3CCCCO3
+CCC(=O)N(Cc1cccc(C#CCO)c1)c2cc(-c3[nH]nnn3)ccc2
+CCC(=O)Nc1cc(nc(n1)-c2oc(Br)cc2)-n3nccc3
+CCC(C(C)CC1OC1(CC)C)=CCOc2cc3OCCCc3cc2
+CCC(C)C(C(=O)Cl)F
+CCC(CC)(c1c[nH]c2c(cccc12)NS(=O)(=O)C)c3cc4cc(oc4cc3)C
+CCC(CC)C(=O)Nc1cc2C3=NC=C(C(O)=O)C(N3C=Nc2cc1)=O
+CCC(CC)C(=O)c1c[nH]c2cnc(cc12)-c3c(C)cccc3C
+CCC(CC)C(Nc1ccc(cc1)C(NCCC(O)=O)=O)c2c(c3c(s2)cccc3)C
+CCC(CC)Oc1cc(C(NC2COC3C(COC23)NC(C4CC4)=O)=O)ccc1
+CCC(CC)c1c2c(c(Cl)cc1)nc3N(CCn23)c4ccc(Cl)cc4Cl
+CCC(CC)c1nc(cc(-c2onc(n2)-c3cc(c(c(C)c3)NS(=O)(=O)C)CC)c1)OC
+CCC(N1Cc2cc(NC3=CC(=CN(C)C3=O)Br)nn2CC1)=O
+CCC(NC1CCCc2c(cncc12)-c3cc(Cl)c4N(C(CCc4c3)=O)C)=O
+CCC(NC1CCCc2c(cncc12)-c3cc4CCC(N(c4cc3)C)=O)=O
+CCC(NCCc1cc(c(c(Cl)c1)Cl)C=O)=O
+CCC(c1ccc2c(C3C(C(OCC)=O)C3CO2)c1O)=O
+CCC(c1ccnc(c1)C(=O)N)N
+CCC1(CC)c2c(c(OCc3ccccc3)ccc2F)NC1
+CCCC(=O)Nc1c2c([nH]c1)ncc(Cl)c2N3CC(CCC3)N
+CCCC(CCC)c1ccc(cc1)OCc2ccc(cc2)-c3sc(cc3)CCl
+CCCCC(=O)C#CC
+CCCCC(=O)CC=CI
+CCCCCCCCCCCCNc1c2c(nc(NCC=C)n1)ccc(c2)[N+](=O)[O-]
+CCCCCCN(CCCCCC)C(=O)C1c2c3ccccc3n(c2-c4ccccc4S1)C
+CCCCN(CCCC)C(=O)c1ncc2c(n(CCCN3CCCCC3)c(Nc4ccc(cc4)OC)n2)c1
+CCCCOC(=O)N1CC(CC1)N
+CCCC[Sn](CCCC)(CCCC)c1nccc(c1)OCC2CC2
+CCCCc1c(C)nc(O)c(N)c1
+CCCCc1c(N)c([nH]n1)C(=O)N
+CCCN(CCC)CC(N1c2c(C=3N(c4cc(c(cc14)C)C)C(N(CCCN(C)C)N=3)=O)cccn2)=O
+CCCNc1nc2c(nc(CN)nc2NC)c(n1)NC
+CCCOc1ccnc(S)c1C
+CCCc1cc(c(N)c(Br)c1Cl)C#N
+CCCc1cc(cc(CCC)c1O)CCO
+CCCc1ccnc(c1)C(=O)N
+CCN(CC)C(=O)CCCn1nnnc1C
+CCN(CC)C(=O)N(C1CCNCC1)C2CCCCC2
+CCN(CC)C(=O)Nc1c(-c2[nH]c3c(cc(NCCN(C)C)c(F)c3)n2)[nH]nc1
+CCN(CC)C(COc1cccnc1Br)=O
+CCN(CC)C(Cc1cccc(Oc2c(F)cccc2)c1N)=O
+CCN(CC)C(NC1CN(C2C(c3cc([N+](=O)[O-])cc4n(cc(C2)c34)C(=O)C)C1)C)=O
+CCN(CC)CC(O)COc1cc2nccc(Oc3ccc(c(Cl)c3)NC(NC4CC4)=O)c2cc1C#N
+CCN(CC)CC=C(C=CCC(CCC=C(C)C)C)C
+CCN(CC)CCNC(=O)c1[nH]c(C=C2c3c(cccc3NC2=O)-c4cc(ccc4)Br)c(c1)C
+CCN(CC)CCNC(=O)c1cc(c(Nc2cncc(-c3ccc(cc3)O)n2)cc1OC)Cl
+CCN(CC)CCNC(c1cc(C=C2c3c(Cl)nc(nc3N(C2=O)Cc4ccncc4)N)[nH]c1)=O
+CCN(CC)CCOc1c(Cl)cc(c(-c2c3c(nc(n2)N)sc(-c4[nH]nnn4)c3)c1)Cl
+CCN(CC)CCOc1ccc(cc1)C(NC(C(C#N)=Cc2nc(Br)ccc2)=O)CCC
+CCN(CC)Cc1cccc(C(=O)Nc2cc(ccc2C)NC(c3ccc(cc3)C#N)=O)c1
+CCN(CC)c1cccc(C(=O)Nc2cc(cc3n[nH]cc23)-c4cccc5c4cc[nH]5)n1
+CCN(CC)c1nc(cc(C)c1)C(NO)=N
+CCN(CC)c1nc(cc(c1)C)C=C
+CCN(CC)c1nc(nc2c1cccc2)N3CCC(CC3)CN
+CCN1c2c(NC(c3cc(CCOc4ccnc5ccccc45)cnc13)=O)c(cc(Cl)n2)C
+CCN1c2c(c(OC)ccc2C3CCc4c(ccc(OC)c4)C3)C(C1=O)=O
+CCN1c2nc(F)ccc2N(C)C(c3c1ncc(c3)CCOc4cc[n+]([O-])c5c4cccc5)=O
+CCOC(=O)C=C1CC(C(CO)C1)CC
+CCOC(=O)c1cccc(F)c1COc2cccc(F)c2
+CCOC(OCC)c1cc(Br)cc(C2CCC2)c1OC
+CCOP(OCC)(Cc1c2ccccc2nc(c1)C(=O)N)=O
+CC[Si](CC)(CC)OC(CC)(CC)CCC=C(CC)c1cc(CO)cs1
+CCc1c(CN)cccn1
+CCc1c(O)nc(C)c(-c2ncon2)c1
+CCc1cccc(CC)c1NC(N2Cc3c(-c4nc5cc6C(C)(C)C(=O)N(c6cc5[nH]4)CC)[nH]nc3C2)=O
+CCn1c(C(=O)Nc2cccc(C(c3ccc4c(C(C(N4)=O)=CNc5cccc(O)c5)c3)=O)c2)cc(C)n1
+CCn1c2c(c(Cl)ncc2)nc1C=O
+CCn1c2ccccc2c(C(Nc3ccc(cc3Cl)CC(O)=O)=O)c1
+CCn1nc(C)c2C(CCc3ccc(C)c(C)c3)NCCCc12
+CN(C(=O)CCCCCCCN)CCCC
+CN(C)C(=O)COc1ccc2c(n(nc2)-c3c4CS(=O)Cc4nc(n3)-c5sc(cc5)Cl)c1
+CN(C)C(=O)Cc1c(ccc(c1)OC)Br
+CN(C)C(=O)N(CCN1CC2CNCC(C1)O2)CCOc3ccc(cc3)C#N
+CN(C)C(=O)NC1Cc2c(n(Cc3nc(F)ccc3)c4ccc(cc24)C#N)C1
+CN(C)C(=O)Oc1cc(NC(C2(CCN(CC2)c3ncnc4[nH]cc(c34)C)COC)=O)ccc1
+CN(C)C(=O)c1cc(C=C)ccc1OCc2ccccc2
+CN(C)C(=O)c1cc(ccn1)-c2c(c(cc(C(C)n3c4ncnc(N)c4c(C)n3)c2OC)Cl)C
+CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3c(-c4ccc(cc4OCC3)C(=O)NCC(C)(C)N)s2)c(Cl)c1
+CN(C)C(=O)c1ccc(c(F)c1)Nc2c(F)c(ncn2)N3CCC(CC3)C(=O)O
+CN(C)C(=O)c1ccc(cc1)-c2cnc(c(C(NNC(c3nc(N)ccc3)=O)=O)n2)N
+CN(C)C(=O)c1ccc2NC(=S)Oc2c1
+CN(C)C(C(C)CCn1c(COc2ccc(cc2)Cl)nc3c(C)cccc13)=O
+CN(C)C(C(NC(C)(C)C=1N(C)C(C(=C(C(NCc2ccc(cc2)F)=O)N=1)O)=O)=O)=O
+CN(C)C(C1CCN(CC1)c2ccnc3c2c(C=C4Oc5cccc(O)c5C4=O)cn3C)=O
+CN(C)C(C=1C2N(C(=O)N(C(COC)C=1)C2)OCC=C)=O
+CN(C)C(CC)C(c1ccc(cc1)NC(=O)C)n2ccnc2
+CN(C)C(CCCC#Cc1cc(C(=O)NC(CO)C)ccc1)=O
+CN(C)C(CN1CCN(CC1)c2cc(OC)c(cc2N)Nc3nc(-c4c5n(nc4)cccc5)c(cn3)Cl)=O
+CN(C)C(CN1CCc2ccc(cc2CC1)Nc3ncc(c(Nc4c(F)cccc4C(=O)NCC)n3)Cl)=O
+CN(C)C(COc1ccc2CCN(c3c4c(CS(=O)C4)nc(-c5cccnc5)n3)c2c1)=O
+CN(C)C(Cc1c(Cl)cc(OCCC2C(C3CCN(CC3)c4ncc(cn4)COC)C2)cc1)=O
+CN(C)C(Nc1c(N)ccc(-c2cccs2)c1)=O
+CN(C)C(c1c(-c2cccc(OCC(CNC)O)c2)nc3n(C(C)C)nc(c3c1NC4CCOCC4)C)=O
+CN(C)C(c1cc(Cl)cc2c1oc(N3CCNCC3C)n2)=O
+CN(C)C(c1ccc(cc1)-c2c(OCCNC(C)C)ccc(-c3nc(c4c(cc(OC)cc4OC)n3)O)n2)=O
+CN(C)C(c1ccc2c(oc(CCCCN)c2)c1)=O
+CN(C)C(c1cccc(c1)Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)=O
+CN(C)C(c1cnc(cc1)N)=O
+CN(C)C(c1oc2c(N3CCC(N(C)C)C3)c(-c4nc(C)sc4)c(C)c(C#N)c2n1)=O
+CN(C)C1(CCNCC1)c2cccnc2
+CN(C)C1=C(C(C1=O)=O)Nc2ccc3c(c2)c(Nc4cc(ccc4)Br)ncn3
+CN(C)C1CC=C(CC1)c2c(F)c(ccc2)N
+CN(C)C1CCC(CC1)N(c2cc(Cl)cc(C(NCC=3C(N(C)N(C)C=3C)=O)=O)c2C)CC
+CN(C)C1CCN(C(=O)CN2C(=O)c3c(cccc3)N(CC(Nc4cc(c(cc4OC)OC)Cl)=O)C2=O)C1
+CN(C)C1CCN(C(c2c3ncc(-c4ccc(cc4)NS(=O)(=O)c5cccc(c5Cl)Cl)c(n3nc2)N)=O)C1
+CN(C)C1CCN(CC1)C(c2ccc(cc2)-c3nc(C(=O)Nc4ccccc4)c(nc3)N)=O
+CN(C)C1CCN(CC1)Cc2n(CC)c3nc(Cl)nc(c3n2)N4CCOCC4
+CN(C)C1CCN(Cc2ccc(cc2)-c3sc4c(nccc4Oc5ccc([N+]([O-])=O)cc5F)c3)C1
+CN(C)C1CCNCC1C
+CN(C)C1CCc2c(c(Br)ccc2NC(C(C)(C)O)=O)C1
+CN(C)C1CN(CC1)CCc2oc3ccc(cc3c2)-c4n5c(ccn5)nc6c4CCC6
+CN(C)C1CN(CC1)c2c(cc(cn2)N3C(=O)C=C(OCc4ccc(cn4)Cl)C=C3)C
+CN(C)C1CN(CC1)c2cc(OC)c(Nc3nccc(n3)-c4c5n(nc4)cccc5)cc2NC(C=C)=O
+CN(C)C1CN(CCC1NC(=O)c2nc(c(Cl)[nH]2)CC)c3sc(C(OCC)=O)c(C)n3
+CN(C)C=Cc1c(cc(C#N)c(n1)OCC)[N+](=O)[O-]
+CN(C)C=NC1=NC(C=CN(C)C)=C([N+]([O-])=O)C(=O)N1Cc2ccccc2
+CN(C)C=NS(=O)(=O)c1c(Cl)ccc(C(c2cc3c(OC(CO)C3)c(Cl)c2Cl)=O)c1
+CN(C)CC#Cc1c(cc(OC(OC)=O)c(C)c1)N
+CN(C)CC#Cc1ccc(cc1)C(C(=O)Nc2sccn2)CC3CCCC3
+CN(C)CC(=O)NCC1Cc2cc(C)c3c(ccc(n3)O)c2O1
+CN(C)CC(=O)Nc1c(cc(nc1)Nc2cnc(C#N)cn2)OCC3CCNCC3
+CN(C)CC(NC(=O)CCCCCCCOCc1cc(F)c(cc1)F)CC(=O)O
+CN(C)CC(OCCCCCCCCC=CCC=CCCCCC)COC(CCC(O)=O)=O
+CN(C)CC1(COC1)Cn2ncc(c2)[N+]([O-])=O
+CN(C)CC1Cc2c(NC1)cc(cc2)NC(=O)C
+CN(C)CC=CC(=O)N1CCc2c(sc3ncnc(Cl)c23)C1
+CN(C)CC=CC(Nc1cc2c(ncnc2cn1)Nc3ccc(Cl)c(c3)C#C)=O
+CN(C)CCC(=O)c1cc([N+](=O)[O-])c(s1)Sc2ccc(Cl)cc2Cl
+CN(C)CCC(N1CC(COc2nc(-c3ccc(cc3)N4CCOCC4)cc5nccnc25)OCC1)=O
+CN(C)CCC(Nc1cccc(-c2ccnc(NCCc3cc(c(OC)cc3)OC)n2)c1)=O
+CN(C)CCC1CCCN(C(c2cnc(cc2)NC(c3ccccc3Cl)=O)=O)c4ccc(Cl)cc14
+CN(C)CCCCN(C)c1ccccc1S(=O)(=O)Nc2ccc3C4C(COc3c2C(=O)O)C4
+CN(C)CCCCNc1ccccc1S(=O)(=O)Nc2ccc3c(OCC4C3CCO4)c2C(O)=O
+CN(C)CCCNC(c1n(c2ccccc2n1)CCCCCCCCCCCCCCCCCC)=O
+CN(C)CCCNc1nc2ccc(cc2cn1)-c3c(ccc(C(NC4CC4)=O)c3)C
+CN(C)CCCOc1cc(F)c(c(c1)F)-c2c(C)nnc(-c3c(cccc3)F)c2-c4cc(OC)cc(OC)c4
+CN(C)CCCOc1ccc(OCCCC)cc1CCCOC
+CN(C)CCCc1c2ccccc2[nH]c1-c3c(noc3C)CC
+CN(C)CCN(C(OCC)=O)c1c(N)cccc1
+CN(C)CCN(C)c1cc(c(cc1NC(C=C)=O)Nc2ncc(C#N)c(-c3c4n(nc3)cccc4)n2)OC
+CN(C)CCN(c1c(cc(Nc2nc(c(C)cn2)-c3cn(c4c3cccc4)C)c(c1)OC)NC(=O)C=C)C
+CN(C)CCN(c1c(cc(Nc2nccc(-c3c4c([nH]c3)cccc4)n2)c(c1)OC)NC(=O)C=C)C
+CN(C)CCN1C(=O)c2c(cc3nc([nH]c3c2C)-c4c(O)nccc4NC(Cc5c(ccc(F)c5)C)C)C1=O
+CN(C)CCN1C(CCn2c(c(C3CCCCC3)c4c2cc(C(=O)O)cc4)-c5ccccc5C1)=O
+CN(C)CCN1C(N2C(C)(C1=O)Cc3c([nH]c4ccc(cc34)OCC)C2c5cc(ccc5)O)=O
+CN(C)CCN1C(SC(CCCCCCCCC)C1=O)c2cccnc2
+CN(C)CCN1CCc2[nH]c(c(c2C1=O)C)C=C3c4c(ncnc4NC3=O)Nc5cc(c(F)cc5)Cl
+CN(C)CCNC(=O)COc1cccc(c1)-c2nc3c(cccc3)c(Nc4cc5cn[nH]c5cc4)n2
+CN(C)CCNC(=O)Cc1cc(sc1-c2ccc(cc2)C#N)C(=O)c3occc3
+CN(C)CCNc1cc(cc(c1)F)-c2cncc(N)c2N
+CN(C)CCNc1cnc2c(sc(C(=O)Nc3c(ccc(NC(c4cc(C(C)(C)C#N)ccc4)=O)c3)C)c2)n1
+CN(C)CCNc1nc(-c2c(C)ccc(C(=O)Nc3sccn3)c2)c4c(N(C(=O)C=C4)c5c(F)cccc5F)n1
+CN(C)CCOC1C2(C(CC1)C3C(c4ccc(OC)cc4CC3)CC2)CC
+CN(C)CCON=Cc1cc2ncc(-c3cccc(c3)-c4c(scc4)C#N)n2cc1
+CN(C)CCOc1c(C)ccc(c1)Nc2cc(nc3c2cccc3)C
+CN(C)CCOc1c(OC)ccc(NC(c2cc(C)c(-c3ccc(cc3)-c4ncccc4)cc2)=O)c1
+CN(C)CCOc1c2c(Nc3ccc(c(Cl)c3)OCc4nccnc4)ncnc2ccc1
+CN(C)CCOc1c2c(ncnc2Nc3cc(c(OCc4cc(F)ccc4)cc3)Cl)ccc1
+CN(C)CCOc1cc(C2CC2)c(cc1)-c3cccc(N)n3
+CN(C)CCOc1cc(F)c(c(F)c1)C2=C(N=C(C(=O)N2CC(C)CC)n3cccn3)Cl
+CN(C)CCOc1cc(c(cc1)N)N
+CN(C)CCOc1cc2C(C(C)(C)CC(c2cc1)c3ccc(cc3)Cl)Cl
+CN(C)CCOc1ccc(c(C2CCCC2)c1)-c3cccc(N)n3
+CN(C)CCOc1ccc(cc1)Cc2c(NCCCCC)nc(N)nc2C
+CN(C)CCOc1ccc2N=CN(C(c2c1)=O)c3c(ccc(C(=O)NC4CC4)c3)C
+CN(C)CCOc1nc(-c2cc(ccc2)OC)nc(c1)Nc3cc4cn[nH]c4cc3
+CN(C)CCOc1nc2c(cc1-c3cnc(nc3)OC)nc(N)s2
+CN(C)CCc1c(O)ccc(c1)-c2n(C)nc(C)c2C
+CN(C)CCc1cc(OC)c(-c2nc(N)ccc2)cc1CC
+CN(C)CCc1cc2occc2c(n1)Cl
+CN(C)CCn1c2c(cn1)ccc(NC(=O)Cc3ccc(cc3)OCc4ccccc4)c2
+CN(C)CCn1cc(-c2cc(OC)c(N)cc2)cn1
+CN(C)CCn1cc(c2ccc(cc12)Cl)C(O)=O
+CN(C)Cc1[nH]c2c(cc(-c3nc(c4c(OC)cc(OC)cc4n3)O)cc2)c1
+CN(C)Cc1c(-c2ccc(cc2)N)cn3c1C(N(c4c(F)c(ccc4)OC)C(N3Cc5c(F)cccc5F)=O)=O
+CN(C)Cc1c(C(NCc2cc(F)c(cc2)F)=O)c3ccc(OC)cc3n1Cc4ccccn4
+CN(C)Cc1c(ccc(c1)N)F
+CN(C)Cc1c2C(=O)N(C(N(Cc3c(F)cccc3F)c2nn1-c4ccc(cc4)NC(=O)C)=O)c5cccc(c5F)OC
+CN(C)Cc1c2cc(ccc2[nH]c1)-c3ccc(OC4CN5CCC4CC5)nn3
+CN(C)Cc1cc(N)c(OCC)cc1
+CN(C)Cc1cc(ccc1)-c2cc3c(Nc4ccc5c(c4C)cc[nH]5)c(C#N)cnc3s2
+CN(C)Cc1cc(n(n1)C)Nc2ncc(c(Nc3c(F)cccc3C(NC)=O)c2)Cl
+CN(C)Cc1cc2c([nH]1)ncc(c2)N
+CN(C)Cc1cc2c(ccc(Cl)c2C=3C(=O)NC(=O)C=3c4cn(C)c5ccccc45)cc1
+CN(C)Cc1ccc2c(c(C=3C(NC(=O)C=3c4c[nH]c5c4cccc5)=O)co2)c1
+CN(C)Cc1ccc2c(c(Cl)ccc2c1)C=3C(=O)NC(=O)C=3c4cn(c5ccccc45)C
+CN(C)Cc1ccc2c(n1)c(c(cc2)Cl)C=3C(=O)NC(=O)C=3c4c[nH]c5c(cccc45)C
+CN(C)Cc1ccc2oc(C)c(C=3C(NC(=O)C=3c4c[nH]c5c(cccc45)C)=O)c2c1
+CN(C)Cc1cccc(c1)NS(=O)(=O)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3
+CN(C)Cc1cnc2c(c(C=3C(NC(C=3c4c[nH]c5ccccc45)=O)=O)c(Cl)cc2)c1
+CN(C)Cc1nc(-c2c3n(cn2)-c4ccc(F)cc4C(N5CCC35)=O)no1
+CN(C)Cc1nc2ccc(cc2cc1)N3C(=O)c4c(cc(-c5ccc(cc5)Cl)s4)N=C3
+CN(C)Cc1nc2n(c(nc(c2)Cl)Cl)c1
+CN(C)Cc1ncc2ccc(c(C=3C(NC(=O)C=3c4c5ccccc5n(c4)C)=O)c2c1)Cl
+CN(C)S(=O)(=O)c1cc(OC)c(cc1)N
+CN(C)S(=O)(=O)c1cccc(N)c1O
+CN(C)S(=O)(=O)n1c(CN(C2CCCc3c2nccc3)CCCCN4C(=O)c5ccccc5C4=O)nc6CCCCc16
+CN(C)S(=O)(=O)n1cc(c(-c2ccccn2)n1)I
+CN(C)c1[nH]c2c(c(C(Nc3c(C)c(ccc3)Cl)=O)cc(NC(c4c(Cl)cccc4F)=O)c2)n1
+CN(C)c1c(Br)cc(S(=O)(=O)Nc2ncc(Cl)cc2O)cn1
+CN(C)c1c(O)cc2c(C3CCC4(C(CCC4=O)C3CC2)C)c1
+CN(C)c1c(cc(cn1)Cl)-c2nc(C(=N)NO)cc3nc(n(CC4CCC(CC4)C)c23)N5CCOC6CCCC56
+CN(C)c1c(cc2NC(=O)CC(c3cc(ccc3)-c4onc(C)c4)=Nc2c1)C
+CN(C)c1c(ccc(Nc2cc(NCCN)nnc2C(=O)N)n1)C
+CN(C)c1c(cnn1C)[N+](=O)[O-]
+CN(C)c1c2c(ccc1O)C3CCC4(C(CCC4=O)C3CC2)C
+CN(C)c1cc(C(=O)NCc2c(nc(C)cc2C)O)c3cnn(C(C)C)c3n1
+CN(C)c1cc([N+]([O-])=O)ccc1OCCN(CCc2ccc(OC)c(OC)c2)C
+CN(C)c1cc(ncn1)NC2CCC(CC2)NC(=O)c3cc(c(cc3)F)F
+CN(C)c1cc2c(c(C#N)c(N)nc2cc1)NCc3sccc3
+CN(C)c1ccc(cc1)-c2oc3c(C(O)=O)cccc3c2
+CN(C)c1ccc(cc1)CN(C(CN(c2ccccc2OC)S(=O)(=O)c3ccccc3C)=O)CC
+CN(C)c1ccc(cc1[N+](=O)[O-])C(N2CCC(CC2)c3ccc(cc3)-c4cnn(c4)C)=O
+CN(C)c1ccc(cc1[N+](=O)[O-])Nc2nccc(n2)-c3c(n(C)c(C#N)c3C)C
+CN(C)c1ccc(cn1)-c2nc3ccc(OC)cn3c2
+CN(C)c1cccc(-c2ccc(Cl)c(C(=O)N)c2)n1
+CN(C)c1cccc(Nc2nc(ccn2)N(C)c3cc4oc(C)c(C(NC)=O)c4cc3)c1
+CN(C)c1cccc(c1)-c2c(C)sc3nc(cc(NS(=O)(=O)c4cc(ccc4)Cl)c23)C
+CN(C)c1ccnc(c1)CN(C)Cc2nc(cc(c2)O)-c3cc(ccn3)N4CCCC4
+CN(C)c1ncc(cc1)-c2ccc(nc2)C(=O)NCc3cnc(cc3)-c4cc(ncc4)F
+CN(C)c1ncc(cc1N)[N+](=O)[O-]
+CN(C)c1nccc(n1)Oc2cc(C)c3C(CC(O)=O)OB(c3c2)O
+CN(C)c1ncnc2c1cc(-c3ccc(cc3)F)cc2
+CN(c1c(CC)cc(-c2cccs2)nc1)c3ncc4c(c3)n(cn4)C
+CN(c1c2c([nH]cc2)ncc1)c3ccc(N)cc3F
+CN(c1cc(C)ccc1)c2nc(N)nc(C#N)n2
+CN(c1nc(cc2c1cccc2)C=3NC(=O)NN=3)C4CCNC4
+CN1C(=O)C=C(CCc2ccccc2Br)NC1=N
+CN1C(Cc2cc(cc(C#N)c12)Br)C
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)N3C(CNCC3)C)Br
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)N3CC(C)N(CC3)C)Br
+CNC(C(=NOC)c1ccccc1O)=O
+CNCc1n(c2c(cccc2C)c1)C
+COC(=O)C(C(=O)OC)c1nc(nc(c1SC)OC)OC
+COC(OC)Cn1ncc2c1ccc(c2)Oc3ccc(cc3CN)F
+COC(OC)c1c(Br)cnc(-n2cc(C(=O)OCC)cn2)c1
+COC(OC)c1c(N)c(ncc1F)C2CC2
+COC(OC)c1c(N2C(COCC2)=O)cc3CCCN(C(Nc4ncc(C#N)c(NCCOC)c4)=O)c3n1
+COC(OC)c1ccc(cc1OC)OCCCN=[N+]=[N-]
+COC1CC(C(=O)O)COC1
+COCC#Cc1cc(F)c(Nc2c(F)c(ccc2C(=O)NOCCO)F)cc1
+COCC(COC)(NC(=O)c1sc(cc1)Cl)C(Nc2ccc3CCN(CCc3c2)C)=O
+COCCC(CCOC)(CNC(OCC1c2ccccc2-c3ccccc13)=O)NCCCC#C
+COCCOCCOCC(N)C
+CONC(=O)c1cc(OC)cc(C2=Cc3c(cc(nc3)NCC)N(C2=O)CC)c1
+COc1c(Br)c(c(Cl)cc1C(C)N2c3c(c(ncn3)N)C(C=C2)=O)C
+COc1c(C(=O)C2=CCCCC2)cc(C)cc1C
+COc1c(Cl)c(N)c(c(OC)c1)C
+COc1c(F)c(c(c(OC)c1)F)N(Cc2cnc(Cl)cc2Cl)C(NCC)=O
+COc1c(c(OC)cc(c1OC)C=O)OC
+COc1c(cc(CC)c(c1)O)-c2cccc(n2)N
+COc1c(cc2c(nncc2Br)c1)CC
+COc1c2c(C#N)cnn2cc(-c3cnn(C)c3)c1
+COc1cc(Cl)c(cc1F)I
+COc1cc(cc(OC)c1)-c2c3c(cc(cc3)OC)c(Cl)nn2
+COc1cc(cc(OC)c1)-c2cc3cnc(nc3cc2OC)Cl
+COc1cc(cc(OC)c1)-c2cccc(c2)C(Nc3c(cccc3)-c4sc(cc4)C(O)=O)=O
+COc1cc(cc(OC)c1)C2=CC(c3c(O2)cc(cc3)OCC(CNC(C)C)O)=O
+COc1cc(cc(OC)c1)C2=Nc3c(nc(Cl)nc3)N(C)C2=O
+COc1cc(cc(OC)c1OC)-c2nc(cs2)C=O
+COc1cc(cc(OC)c1OC)-c2ncnc(CCl)c2
+COc1cc(cc(OC)c1OC)C(=O)N2CC(C(N(C)C)=O)NCC2
+COc1cc(cc(OC)n1)CCc2[nH]nc(c2)Nc3ccnc(n3)NCc4onc(c4)C
+COc1cc(cc2n(nnc12)C)Br
+COc1cc2OCCC(=O)c2cc1Br
+COc1cc2c(N)c(cnc2cc1)C(=O)O
+COc1cc2sc(NC(NCC)=O)nc2cc1Br
+COc1ccc(Br)c(c1)CNc2nc(ncc2Cl)Nc3cccc(c3)CCCO
+COc1ccc2N(C(CC(CCNC)c2c1)=O)C
+COc1cccc(-c2nc(ccc2CC(=O)O)Cl)c1
+COc1cccc(c1)CCCC#N
+COc1cccc(c1N)C=2NCCN=2
+COc1cnc2ccc(c(c2n1)CBr)F
+COc1cncnc1OCC#Cc2cccc(CC#N)c2
+COc1nc(c(cc1)C(OCC)=O)C(C)C(=O)OCC
+COc1nc2c(-c3ccc(CCNCc4ccc5c(n4)NC(=O)CS5)cn3)ccnc2cc1
+COc1nc2c(nccc2CCN3CCOC(C3)CNCc4ccc5c(n4)NC(=O)CS5)cc1
+CSC(SC)=C(C(c1ccc(o1)Br)=O)C#N
+CSCOc1ccc(N)c(N)c1
+CSc1cc2ccccc2cc1O
+C[Si](C)(C)C#Cc1c(N)nc(-c2ccco2)c(c1)-c3ncncc3
+C[Si](C)(C)C#Cc1c(N)ncc(-c2ccc(cc2)S(=O)(=O)C(C)C)n1
+C[Si](C)(C)C#Cc1cnc2n1cc(cc2C)-c3ccc(cc3)Cl
+C[Si](C)(C)C1c2cc(ccc2-c3n(c4c(c(C)cc(c4)C)c13)C)F
+C[Si](C)(C)CC(C(=O)NC1(CC1)C#N)NC(c2cccc(-c3cccc(C#N)c3)c2)=O
+C[Si](C)(C)CC(NC(O)=O)C(=O)NC1(CC1)C#N
+C[Si](C)(C)CCOC(=O)N1C(CC(c2cc3c(ccc(c3)C=C)cc2)(OC)C1)C(OC)=O
+C[Si](C)(C)CCOC(N(CC(NC(OC(C)(C)C)=O)CC1(CCCCC1)F)C)=O
+C[Si](C)(C)CCOC(c1cccc(S(=O)(=O)N(CCCC(OCC)=O)C2CC2)c1)=O
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2ncc(I)c2nc(C(C)NC3CCOCC3)c1
+C[Si](C)(C)CCOCN1C(=O)C(C)=C(c2c(cc(Oc3c(cccn3)C4CC4)cc2)C)N(C)C1=O
+C[Si](C)(C)CCOCN1C(c2c(ccc(c2)NS(=O)(=O)c3ccccc3)N=C1n4ncc(C(OCC)=O)c4)=O
+C[Si](C)(C)CCOCOC(C)(C)COc1c(OC)cc(N)cc1
+C[Si](C)(C)CCOCOC(C)(C)c1cnc(cc1)C2(CCN(CC2)c3nnc(c(C)c3C)Cc4ccccc4)O
+C[Si](C)(C)CCOCn1c(Br)c(-c2cc(OC)c(N)nc2)nc1N3CCNCC3
+C[Si](C)(C)CCOCn1c(Br)nc(c1)C(=O)N(CCCC)CCCC
+C[Si](C)(C)CCOCn1c(c(C(=O)OCC)c2c1c(ncn2)-c3c(OCC4CC4)cc(cc3)F)C
+C[Si](C)(C)CCOCn1c(ccc1)C(=O)c2ccc(cc2)NC(OCC)=O
+C[Si](C)(C)CCOCn1c2-c3ccsc3Cc2c(-c4ccc(cc4)Nc5ccncc5)n1
+C[Si](C)(C)CCOCn1c2c(c(-c3nc4ccccc4[nH]3)n1)cc(N)cc2
+C[Si](C)(C)CCOCn1c2c(c(C(=NN)C3CCCCC3)ncn2)cc1
+C[Si](C)(C)CCOCn1c2c(c(C(NCC(C)O)=O)c1)c(-c3cccc(c3)[N+]([O-])=O)ncn2
+C[Si](C)(C)CCOCn1c2c(c3cccnc13)cc(C#N)nc2
+C[Si](C)(C)CCOCn1c2c(ccc(N3CC(CC3)O)c2)c(C(Nc4cn(nc4)Cc5cccc(c5)C#N)=O)n1
+C[Si](C)(C)CCOCn1c2ccc(NC)cc2cn1
+C[Si](C)(C)CCOCn1c2ccc(cc2c(n1)C#Cc3cc(ccc3)F)[N+](=O)[O-]
+C[Si](C)(C)CCOCn1c2ccc(cc2nc1)-c3nc(CS(=O)(=O)C)cc(N4CCOCC4)n3
+C[Si](C)(C)CCOCn1c2ncc(C(O)C)c(c2cc1)NC3CCCCC3
+C[Si](C)(C)CCOCn1c2ncc3ncc(n3c2cc1)C4CC(CC4C)NS(=O)(=O)C5CC5
+C[Si](C)(C)CCOCn1cc(-c2ccc(cc2)O)c3c(NC4CCCC4)nc(nc13)Nc5ccc(C(NC)=O)cc5OC
+C[Si](C)(C)CCOCn1cc(-c2ccncc2)c3c1nc(nc3NC4CCOCC4)Nc5c(C)cc(cc5)C(=O)N(C)C
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(C=3CCCCC=3)cc(cc2)C(CO)CO
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(cc(C3(CCOCC3)C(=O)OC)cc2)C=4CCCCC=4
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(cc(cc2)C(=O)C)C=3CCCCC=3
+C[Si](C)(C)CCOCn1cc(c2c1ncc(Br)n2)C(NCC(C)(C)COCOCC[Si](C)(C)C)=O
+C[Si](C)(C)CCOCn1cc(c2nc(-c3c4c(n(C)n3)cc(cc4)Cl)cnc12)C=O
+C[Si](C)(C)CCOCn1cc(nc1C(Nc2ccc(cc2N3CCCC(F)C3)N4CCN(CC4)C)=O)C#N
+C[Si](C)(C)CCOCn1cc(nc1C=NO)C(F)(F)F
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(nc3)C4CCC5(OCCO5)CC4)ncnc12
+C[Si](C)(C)CCOCn1nc(c2cc(ccc12)C3OCCO3)I
+C[Si](C)(C)CCOCn1nc2c(cc(F)cc2c1)C(C)OCC3(CCN(CC3)C(OC(C)(C)C)=O)c4ccc(cc4)F
+C[Si](C)(C)CCOCn1ncc2c1cc(N)c(CNC(c3ccccc3)C)n2
+C[Si](C)(C)CCSc1cc(c(OCc2ccccc2)c3ncccc13)Cl
+C[Si](C)(C)OC(=C)N=Cc1cc(ccc1Oc2ccc(cc2)OC)Br
+C[Si](C)(C)OC(C(N)CN(C(OC(C)(C)C)=O)C)C1CCCCC1
+C[Si](C)(C)OC(C)(C)CCCC(C)C1CCCC2C(=O)CCCC12C
+C[Si](C)(C)c1[nH]c2c(cc(Cl)cc2c1CCNC(c3cc(ccc3)Cc4cc(F)ccc4)=O)Cl
+C[Si](C)(C)c1c(cc(C(Cc2ccc(cc2)Cl)=O)c(F)c1F)Br
+C[Si](C)(C)c1c(cc(cc1)-c2nc(C(OC)=O)c(c(c2F)N)OC)F
+C[Si](C)(C)c1c(ccc(Cl)c1C(=O)NCC)[N+]([O-])=O
+C[Si](C)(C)c1c2n(Cc3cc(F)ccc3)c(C(=O)Nc4cnc(cc4)N5CC(C5)O)cc2ccc1
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(nc(nc3OC)NCCN)OC)=O
+C[Si](C)(C)c1ccc(cc1)C(C(=O)c2cc(ccc2)Br)=O
+C[Si](C)(C)c1cccc(Cl)c1C(=O)N(CC)C(CCCCCC)C
+C[Si](C)(C)c1nn(c(c1)C(=O)O)-c2ccc(cc2)OCCN3CCOCC3
+C[Si](C)(CCCC)CCCOc1ccc(cc1)OC(c2sc(CCCCCCCC)cc2)=O
+Cc1[nH]c2c(n1)cc(c(-c3occc3)n2)-c4ccncn4
+Cc1c(-c2cc3ncc4nc(n(Cc5ncccc5)c4c3cc2OC)N)c(C)on1
+Cc1c(Br)n2c(n1)ccc(Cl)n2
+Cc1c(C=O)nc2n1nc(cc2)Cl
+Cc1c(COc2nnc(cc2)C(NC)=O)c(no1)-c3cc(F)ccc3
+Cc1c(c(C)cc(n1)N)CNC(c2nnn(Cc3ccc4c(ccc(n4)C)c3)c2)=O
+Cc1c(cc2CCCCC(c2n1)OC)C(=O)OCC
+Cc1c(nc2n1nc(cc2)Cl)C#N
+Cc1c(nnn1-c2cc(Cl)c(F)cc2)C(Nc3ccnc(Cl)c3)=O
+Cc1c2c(cc(c(-c3c(OC)cccc3F)n2)CN)ccc1
+Cc1c2c(ccc1)cncn2
+Cc1c2c(ccnc2n(-c3ncccc3)n1)O
+Cc1c2c3c(ccc2nn1C)CCC3=CC#N
+Cc1c2ccc(N3CC(OC3=O)Cn4nncc4)cc2on1
+Cc1c2n(NC(=NC2=O)c3cnc(OC)cc3)c(C)n1
+Cc1c2nc(C3CC3C(CC)=O)nn2c(C)cn1
+Cc1c2nc(nn2c(C)cn1)CCc3ccc(O)c(NC(C)CCO)n3
+Cc1cc(Nc2ccnc3nc(C)ccc23)c(cc1)Sc4cc(ccc4)NC(C)=O
+Cc1cc(Nc2nc3n(Cc4ncc(cc4F)F)cnc3cc2F)n[nH]1
+Cc1cc(cc(C)c1)-c2c(O)nc3c(cc([N+]([O-])=O)c(Cl)c3)c2OCCC4CCCCN4C
+Cc1cc(cc(C)c1)-c2c(O)nc3c(cc(c(c3)Cl)NC(NC4CC4)=O)c2OCCC5CCCCN5
+Cc1cc(cc(C)c1)-c2c(c3c(nc2O)cc(Cl)c([N+]([O-])=O)c3)OCCC4CCCCN4
+Cc1cc(cc(C)c1)Nc2cc(NC3CCCCC3N)nnc2C(N)=O
+Cc1cc(cc(C)c1)Nc2nc(SCC)nc(c2C(=O)N)S(=O)C
+Cc1cc(cc(C)c1-c2c3n(nc2C)c(NCCNC4CCOCC4)cc(C)n3)Cl
+Cc1cc(cc(C)c1-c2cc(CO)ccc2)OCC3(CCSCC3)O
+Cc1cc(cc(C)c1-c2ccc(F)c(COc3ncc4c(CC5C(C(OCC)=O)C45)c3)c2)OCC6(CCOCC6)F
+Cc1cc(cc(C)c1-c2nc(sc2)N)Oc3ccc(cc3)F
+Cc1cc(cc(C)c1-n2c3c(c(C)c2)c(N(CCCC)CC)nc(C)n3)C
+Cc1cc(cc(C)c1C2=C(O)C3(CCN(CC3)OCC)NC2=O)C
+Cc1cc(cc(C)c1Cl)OCCCc2c([nH]c3c2cccc3-c4ccco4)C(NS(=O)(=O)c5ccccc5)=O
+Cc1cc(cc(C)c1Nc2sc3c(n2)cccc3CBr)C
+Cc1cc(cc(C)c1OC)NC(=O)C
+Cc1cc(cc(C)c1OCC(=O)NN)-c2ncccc2
+Cc1cc(cc(C)c1OCCCN2CCCC2)-c3nc(O)c4c(OC)cc(OC)cc4n3
+Cc1cc(cc(C)c1Oc2c3c(cc[nH]3)nc(Nc4ccc(cc4)C#N)n2)C5CC5
+Cc1cc(cc(C)c1Oc2nc(C)cc(NC(CC)CC)c2NCC=C)C
+Cc1cc(cc(C)c1S(=O)(=O)N(C)C(Cc2c3c(cccc3)[nH]c2)C)C
+Cc1cc(cc(C)c1S(=O)(=O)N2C(COS(=O)(=O)C)CCCC2)OC
+Cc1cc(ccc1)OCC(C)N
+Cc1cc(nc(c1)CCc2cc(C#N)cc(c2)NCCc3ncccc3)N
+Cc1cc2c(cc(C(=O)N)[nH]2)c(c1)O
+Cc1ccc(C)n1-c2nc(CCC(n3c(ccc3C)C)C)cc(C)c2
+Cc1cccc(C)c1-c2nc(C)c(c(N3CCN(C(C3)C)CC(=O)N)n2)COc4cc(ccc4C)C(C)C
+Cc1cccc(C)c1-c2nn3cc(COc4ccc(cc4)C(C#CC)CC(=O)O)ccc3n2
+Cc1cccc(C)c1CCCn2c3c(nc2CN4CCCCC4)cccc3
+Cc1cccc(C)c1COc2c(ccc(CC(=O)O)c2)C
+Cc1cccc2c1ncc(C(=O)CCC)c2Nc3cc(OC)ccc3OC
+Cc1ccccc1-c2c(COC)cc(cc2)-c3nc(no3)-c4cc(c(C(N(CC(=O)OC)C)=O)cc4)F
+Cc1ccccc1-c2c(ccc(C=CC)c2O)Cl
+Cc1ccccc1-c2c(ccc(N)c2)C(=O)NC(CCSC)C(=O)OC
+Cc1ccccc1-c2cc(C=3NOC(=O)N=3)ncc2
+Cc1ccccc1-c2cc(ccc2)C(=O)N3Cc4ccc(C(NCc5cnccc5)=O)n4Cc6c3cccc6
+Cc1ccccc1-c2nc(C)sc2NC(c3c4nc(N)ccn4nc3)=O
+Cc1n(-c2cn(CCC)nc2)c3cc(Cl)ccc3c1Sc4cccc(c4)CC(OCC)=O
+Cc1n(-c2cn(nc2)CC)c3cc(C#N)ccc3c1Sc4cc(ccc4)C(=O)OC
+Cc1n(C2=CC(=O)N(CC)C=C2)c(nc1C#Cc3cccc(Cl)c3)C
+Cc1n(C2CCCCO2)nc-3c1C(N(c4ccc(C#CC=O)cc-34)CC)=O
+Cc1n[nH]c2-c3c(ccc(Cl)c3)N(CC(CNC)O)C(c12)=O
+Cc1nc(-c2cc3c(c(c2)O)scc3)sc1C(=O)OCC
+Cc1nc(-c2ccc(C)cc2F)sc1CCl
+Cc1nc(-n2nc3CCC(NC(c4nc(Cl)c(CC)[nH]4)=O)Cc3c2)sc1C(=O)OCC
+Cc1nc(-n2nccc2)ccc1C(Nc3ccc(Cl)c(-c4ncccc4)c3)=O
+Cc1nc(-n2nnnc2)ccc1C(C)C(=O)O
+Cc1nc(Br)c(nc1-c2ccc(Oc3nccc4c3cco4)cc2C)N
+Cc1nc(C(N2CC3C(C2CNC(c4cccc5NC(COc45)=O)=O)C3)=O)c(s1)-c6cccc(c6)C
+Cc1nc(Cl)c(-c2noc(-c3cc(OC)c(O)c([N+]([O-])=O)c3)n2)c(c1Cl)C
+Cc1nc(Cl)c2c(n(C(C)CO)c(CCl)n2)c1C
+Cc1nc(N)nc(NCCCCC)c1CCCNCc2cc(ccc2)OCC(OC)=O
+Cc1nc(N2C3C(N(CC3)C(=O)c4nc(Cl)c(CC)[nH]4)C2)sc1C(=O)OCC
+Cc1nc(SC)nc(Cl)c1CC(OC)=O
+Cc1nc(c(C(=O)N)cc1-c2csc(n2)C)O
+Cc1nc(c2c(n(c(C)n2)CCOCCCc3cnccc3)c1C)N
+Cc1nc(cc2c3ccc(O)cc3[nH]c12)O
+Cc1nc(cnc1CNC(c2nnn(Cc3ccc4c(ccc(n4)C)c3)c2)=O)N
+Cc1nc(nc(C)c1)NCCCCCN(C(=O)CCCCCCCCCCCCC)CCCNC(=O)CC(C)C
+Cc1nc(nc(N)c1CC)CCCC
+Cc1nc(nc(c1C(C)CC)Cl)-n2nccc2
+Cc1nc(sc1CO)-c2ccc(Cl)cc2OC
+Cc1nc2N(C(N(CCCCC(O)C)C(c2[nH]1)=O)=O)C
+Cc1nc2ccc(N)c(c2[nH]1)C
+Cc1nc2nc(ncc2cc1Br)NCCOC
+Cc1nccn2c(ccc12)C(=O)N
+Cc1nn(C(C)c2cc(Cl)c(c(c2OC)-c3cnc(cc3)C(=O)O)C)c4c1c(ncn4)N
+Cc1nnc(c2ccc(OCC#C)cc12)Cl
+Cc1nnsc1C(=O)c2[nH]c3ccc(Cl)cc3c2CC(=O)O
+Cc1noc(C)c1-c2cc(-c3c4cccnc4ccc3C)c5c([nH]cn5)c2
+Cc1noc(C)c1C(Nc2cc(ccc2O)CC(OC)=O)=O
+Cc1oc(-c2ccc(OC)cc2C)cc1C=O
+ClC(=NO)C1CCC2CC2C1
+ClC(Cl)(Cl)COC(=O)Nc1cc(C(C)(C)C#N)nn1-c2cccc(c2)OCCO
+ClC(Cl)(Cl)COC(Nc1ncc(cc1)-c2nc(c3ccc(-c4cccc(c4)S(=O)(=O)C)cc3n2)N5CCOCC5)=O
+ClC(Cl)(Cl)c1[nH]c2cc(Cl)c(cc2n1)C(=O)NC3CC3
+ClC(Cl)=C(c1cc(c(cc1)CN)O)Cl
+ClC(Cl)=C(c1cc(cc(C(=C(Cl)Cl)Cl)c1)Cn2c(c(C(=O)N)nn2)N)Cl
+ClC(Cl)=CC1C(C)(C)C1C(=O)OCc2cc(ccc2)-c3cscc3
+ClC(Cl)=CC1C(C)(C)C1C(=O)OCc2cccc(-c3oc(cc3)Br)c2
+ClC(Cl)=CCOc1cc(CC)c(c(c1)CC)OCCCCOCC=NOCc2ccccc2
+ClCc1n(C)nc(CC)c1Cl
+ClCc1nnc(NC(=O)N(C(C=O)COC)CCl)s1
+Clc1c(-c2c(-c3cc(F)ccc3)nc(cn2)N)ccnc1
+Clc1c2CCCCc3c(-c2ccc1)cccc3
+Clc1c[n+](cc(Cl)c1NC(=O)c2cc(C3=NC(C)(C)Cc4c3c5c(OC(C)(C)C5)c(c4)OC)ccc2)[O-]
+Clc1cc(-c2cc3[nH]c(NC(c4nc5cccc(N6CC(CC6)O)n5c4)=O)nc3cc2)cc(c1)F
+Clc1cc(-n2c3c(cc(OC)cc3)cc2)c(NCC(=O)O)cc1
+Clc1cc(Br)c(OC)c(N)c1
+Clc1cc(Br)c2c(n(cn2)C)c1
+Clc1cc(Br)cc(Oc2c(ccnc2NN)C)c1
+Clc1cc(C#N)cc(Oc2c(Cl)ccc(c2F)CNC(c3cc4cc(ccc4[nH]3)OCCSC)=O)c1
+Clc1cc(C#N)cc(Oc2c(c(OC)ncc2CO)Br)c1
+Clc1cc(C#N)cc(Oc2c3c(Cl)n[nH]c3ccc2Cl)c1
+Clc1cc(C#N)cc(Oc2c3c([nH]cn3)ccc2Cl)c1
+Clc1cc(Cn2ccnc2)c(cc1)Oc3c4c(cccc4)ccc3
+Clc1cc(I)cc(F)c1C#N
+Clc1cc(N)c(O)c(CCc2ncccc2)c1
+Clc1cc(OCCC)c(cc1)COc2ccnn2-c3nccc(C#N)c3
+Clc1cc(c(NCC(OCC)=O)cc1)Oc2ccc(N)cc2Cl
+Clc1cc(c(O)cc1)C=Cc2c(cccc2)Br
+Clc1cc(c(c(Cl)c1)Cl)-c2c(N)nc(Cl)cn2
+Clc1cc(c(cc1)F)-c2cncc(c2)NC(C(=O)N)c3c(cccc3)Cl
+Clc1cc(c(cc1)O)C(=NNC(c2cc(Br)c(Cl)cc2)=O)C
+Clc1cc(c(n2c1ncc2)-c3cc(F)ccc3)C(=O)O
+Clc1cc(cc(Cl)c1)-c2ccc3c(cccc3n2)CC(C)C
+Clc1cc(cc(Cl)c1)-c2cn(CC(O)=O)cc2C#N
+Clc1cc(cc(Cl)c1)C#CC(=O)c2cc3c(cc(OC)cc3)nc2
+Clc1cc(cc(Cl)c1)C(C)(C)C(=O)N(c2c(cc(N3C(CO)CCC3)nc2)-c4ccccc4Cl)C
+Clc1cc(cc(Cl)c1)COC(N2C3CCC2CC(C3)NC(CCCc4cnn[nH]4)=O)=O
+Clc1cc(cc(Cl)c1)COC(N2CCC(CC2)CCN(C)C(C=3CC(=O)NN=3)=O)=O
+Clc1cc(cc(Cl)c1)OC2CCN(C(=O)N(CC)CCN(CC)CC)C2
+Clc1cc(cc(Cl)c1-n2cc3cncc(c3n2)Cl)C#N
+Clc1cc(cc(Cl)c1-n2nc3c(c2)c[n+](cc3)[O-])F
+Clc1cc(cc(Cl)c1C=O)[N+](=O)[O-]
+Clc1cc(cc(Cl)c1N2NC(=C3C(=O)N=C(N=C23)Cc4cc(c(cc4)CN(C)C)O)C(C)C)Cl
+Clc1cc(cc(Cl)c1Nc2nc3cc[n+](cc3c4c(nccc24)O)[O-])C(C)(C)O
+Clc1cc(cc(Cl)c1O)-c2ccc3ncc(c(c3c2)NC4CCC(CC4)CN5CC(O)CC5)C(C6CC6)=O
+Clc1cc(cc(Cl)c1OCCCCOCC=NOCC=C(Cl)Cl)OCC=C(Cl)Cl
+Clc1cc(cc(Cl)c1OCc2ccccc2Cl)OCC=O
+Clc1cc(cc(Cl)c1Oc2ccc(O)c(c2)CN3CCCCC3)N4C(=O)NC(C=N4)=O
+Clc1cc(cc(Cl)c1Oc2ccc(c(NS(=O)(=O)c3ccc(cc3)F)c2)O)N4C(=O)NC(C=N4)=O
+Clc1cc(cc(Oc2c(Cl)ccc(c2F)CNC(c3c(Cl)nc[nH]3)=O)c1)C#C
+Clc1cc(cc(c1)CC(OC)=O)Br
+Clc1cc(cc(c1)COc2cccnc2)Br
+Clc1cc(ccc1)C2Oc3c(cc(Oc4ncc([N+]([O-])=O)cc4)cc3)CC2
+Clc1cc(ccc1)C2c3c(C(CC2)=O)ccc(c3)O
+Clc1cc(ccc1)NC(=O)N2Cc3c(CC2)[nH]nc3C(N(O)C)=O
+Clc1cc(ccc1)Nc2ccn3c(n2)c(cn3)C=C4C(NC(=O)N4C)=O
+Clc1cc(ccc1)Nc2nc(-c3cc(C(NO)=O)ncc3)ncn2
+Clc1cc(ccc1)Nc2nccc(-c3cccnc3NCCCNC(C)=O)n2
+Clc1cc2C(=O)N(C(CSc3ncnc4nc[nH]c34)=Nc2cc1)c5c(Cl)cccc5
+Clc1cc2N(CCOc2c(c1)C(=O)O)C
+Clc1cc2c(-c3cc[n+](cc3C(=O)N2C)[O-])cc1
+Clc1cc2c(CCNC(=O)c3noc(n3)Cc4ccccc4C)c[nH]c2cc1
+Clc1cc2c(NCCN)cc(nc2cc1)N3Cc4ccc(Br)cc4CCC3
+Clc1cc2c(cc1)C(CBr)CC2
+Clc1cc2c(ccnc2cc1)C=NNC=3N=C(N)N(C(=O)C=3)C
+Clc1cc2c(nc(CCC)nc2Cl)cc1
+Clc1cc2c3c(cnc2cc1)ncn3C
+Clc1ccc(-n2ncnc2)c(CN)c1
+Clc1ccc(Br)c(c1C(=O)N)F
+Clc1ccc(C#N)c(C2=CC(=O)N(C(C(Nc3cc4NN(C(=O)c4cc3)C)=O)C)C=C2)c1
+Clc1ccc(C#N)c(C=2C(Cl)=CN(C(C=2)=O)C(C(=O)O)CC3CCCCO3)c1
+Clc1ccc(C(CC)=O)c(Nc2ccccc2Cl)c1
+Clc1ccc(C)c(-c2c(C(=O)N)cc(-c3c(cnc(N)n3)I)[nH]2)c1
+Clc1ccc(c(-c2oc(nc2)CCCCC(=O)O)c1)O
+Clc1ccc(c(-c2oncc2CCCO)c1)Cl
+Clc1ccc(c(C(Nc2nn(cc2)-c3ccc(c(C)c3)C)=O)c1)NC(=O)c4cccc(CSCCC(=O)O)c4
+Clc1ccc(c(Cl)c1)-c2nc(n3c(ncc3)c2)OCCNc4ccc([N+]([O-])=O)c(n4)N
+Clc1ccc(c(Cl)c1)-c2nc3c(cccc3C(=O)N)o2
+Clc1ccc(c(Cl)c1)CCCC(Cl)=O
+Clc1ccc(c(Cl)c1)CCNc2nc(nc(-c3cc4CC(N(C)c4cc3)C(=O)O)c2)OC
+Clc1ccc(c(Cl)c1)COc2ccc3c(coc3c2Cl)CC(=O)O
+Clc1ccc(c(OC)c1)Oc2ccc(C(=O)N)cc2-c3cccnc3OC
+Clc1ccc(c([N+]([O-])=O)c1)CCOC(=O)OCC2OC(N3C=C(C(NC3=O)=O)C)CC2O
+Clc1ccc2-c3c(OCc2c1)c4CCCC(c4cc3)=O
+Clc1ccc2C(c3nc(sc3C=Cc2c1)C)c4c(nc(nc4)O)SC
+Clc1ccc2CCCN(c3nc(Nc4cccc(c4)NC(=O)C=C)ncn3)c2c1
+Clc1ccc2c(C3(COc4cc5c(cc34)CCO5)C(N2CC(=O)O)=O)c1
+Clc1ccc2c(NC(N2C3CC(C)N(CC3)C(=O)OC)=O)c1
+Clc1ccc2c(cc(C(NCC(N3CCSC3C(=O)O)=O)=O)[nH]2)c1
+Clc1ccc2c(nc(C3CNC(C)CC3)o2)c1
+Clc1ccc2c(nc(C=Cc3cccc(OC(c4[nH]nnn4)C)c3)cc2)c1
+Clc1ccc2c(nc([nH]2)-c3c-4c(ccc3)C(c5c-4cccc5)N)c1
+Clc1ccc2c(ncc(Oc3cc(F)c(cc3)OC(C)C(=O)OCCC)n2)c1
+Clc1ccc2ccc(COc3cc4c(OCc5c(C4SCCc6nnn[nH]6)cccc5)cc3)nc2c1
+Clc1ccc2oc3ncc(cc3c2c1)Cl
+Clc1cccc(-c2c(OC)ccc(Cn3cc(nc3)-c4cnccc4)c2F)c1
+Clc1cccc(-c2c3c(NC(C3=Cc4c(cc(C)[nH]4)C)=O)ccc2)c1
+Clc1cccc(-c2nc(nc3c2cc(C(c4n(cnc4)C)(c5cnc(Cl)cc5)O)cc3)O)c1
+Clc1cccc(C#Cc2nc(C)ccc2N)c1
+Clc1cccc(C(C2CCCNC2)(O)CCCCOC)c1
+Clc1cccc(C(NCc2cc(OCC3CN(C)CCC3)c(Cl)cc2)C)c1
+Clc1cccc(C(Nc2cc(c(C)cc2)OCc3c4c(n(C)n3)ncnc4Cl)=O)c1
+Clc1cccc(C(O)CN)c1
+Clc1cccc(CNCc2nc3c(oc4c3cc(cc4)Br)c(O)n2)c1
+Clc1cccc(Cl)c1-c2c(NC(NCCCCCCCC)=O)nc3c(cnc(n3)NCCCN4CCN(CC4)C)c2
+Clc1cccc(Cl)c1-n2c3c(nc2)ccc(n3)O
+Clc1cccc(Cl)c1C(=O)NC(C(=O)O)CC=Cc2ccc(cc2)N(c3ncccn3)C(C)C
+Clc1cccc(Cl)c1C(=O)Nc2c(N)cnc(Nc3cc(C)nc(C)n3)c2
+Clc1cccc(Cl)c1C(Nc2c(n[nH]c2)C(OC)=O)=O
+Clc1cccc(Cl)c1CNc2ccnc(n2)Nc3cnn(c3)CC(=O)NC(CO)C
+Clc1cccc(Cl)c1COc2ccc3c(cc(n3CCCc4[nH]nnn4)C(NCC(C)C)=O)c2
+Clc1cccc(Cl)c1Cc2[nH]c3c(c(ncn3)Cl)n2
+Clc1cccc(Cl)c1Nc2c(csc2Cl)CC(O)=O
+Clc1cccc(Nc2c(c([nH]n2)N=Cc3cccc(OCCO)c3)C(N)=O)c1
+Clc1cccc(Nc2ncnc3c2c(N=Cc4cccc(-c5nn(C)nn5)c4)[nH]n3)c1
+Clc1cccc(Oc2cc(ccc2OC)CBr)c1
+Clc1cccc(c1)-c2c(C(C#C)O)c3n(n2)cncc3
+Clc1cccc(c1)-c2c(ccc(C)n2)OC
+Clc1cccc(c1)-c2c(ccc(COC(=O)OC)c2F)OC
+Clc1cccc(c1)-c2c3c(nc(n2)Cl)ccc(c3)Br
+Clc1cccc(c1)-c2onc(C(C)Oc3n(c(-c4cc(ncc4)O)nn3)C)c2
+Clc1cccc(c1)C(CCCCOC)(C2CCCNC2)OC
+Clc1cccc(c1)C(Nc2nc3c(o2)c(cc(c3)C(=O)N4C(COC(C)(CC(O)C)C4)C)OC)CF
+Clc1cccc(c1)C=CC(=O)N2C(CN(CC2)c3nccnc3C#N)CO
+Clc1cccc(c1)C=CC(=O)N2CCN(CC2C#N)c3nccnc3C#N
+Clc1cccc(c1)CCc2c(C(=O)O)nc(o2)C
+Clc1cccc(c1)COc2cc3OC(C=C(CCN)c3cc2)=O
+Clc1cccc(c1)Cc2c(Br)sc(c2)Cl
+Clc1cccc(c1)N(C(=O)CNC)CCCNC(OC)=O
+Clc1ccnc(CNc2nc3c(o2)c(cc(c3)C(=O)N4CC(C)OCC4C(O)C)OC)c1
+Clc1cn(nc1)-c2ccc(cc2Cl)C(C)C(NN)=O
+Clc1cnc(c(c1CCl)Cl)N
+Clc1cnc(cc1)C(Nc2ccc(c(c2)C34NC(=N)COCC3C4)F)=O
+Clc1cnc(cc1)C(Nc2nc(C3(CF)COCC(=S)N3)ccc2)=O
+Clc1cnc(cc1)NC(C(Oc2c3cnn(-c4ncccc4Cl)c3ncn2)COC(CO)C)=O
+Clc1cnc2[nH]cc(-c3nc(c(cn3)F)NC4CN(CC(COC)O)CCC4)c2c1
+Clc1cnc2c(c1)n3c(c(n2)N4CCC(N)C4)nnc3
+Clc1cnc2ccc(C(Cl)=NO)cc2c1
+Clc1cnc2n(c1)nc(C(=O)N3CCc4c(ccc(OC)c4)C3C)c2
+Clc1cncc(Cl)c1NC(=O)c2ccc(OC)n3nc(cc23)C#N
+Clc1cncc(Cl)c1NC(c2ccc(c3oc4ccncc4c23)OC(F)F)=O
+Cn1c2c(cccc2)c(c1)C3C(C(=O)N(C)C3=O)c4c5ccccc5[nH]c4
+Cn1nnc(n1)-c2ncc(-c3cc4c(cc3)N5C(C4)C(CNC(C)=O)OC5=O)cc2
+FC(F)(C(=O)Nc1cccc(OC(CCCCCCCCCCCC)C(=O)Cl)c1)C(F)Cl
+FC(F)(C(C)(C)OC(C)OCC)CCI
+FC(F)(C(F)(F)Cl)c1ccc(cc1)NC(c2cnc(N3CCC(O)C3)c(c2)-c4ccn[nH]4)=O
+FC(F)(C)C(=O)NC(C)C(Oc1cc2cnn(-c3cccc(c3)C(=O)NC4CCCC4)c2cc1)c5ccc(OC)nc5
+FC(F)(C)c1n(C2CCNCC2)c(nn1)C
+FC(F)(CCCCCCCCCCCCCCCC)C(=C)CBr
+FC(F)(CNc1c(F)c(c(cc1)Cl)CC=O)c2ccc(c3ccccc23)F
+FC(F)(CO)CCCOC
+FC(F)(F)C(=C)c1cc(C)c(c(C)c1)NC(=O)c2cccc(c2)NC(=O)c3c(C)cccc3
+FC(F)(F)C(=C)c1cc(Cl)c(c(Cl)c1)C
+FC(F)(F)C(=CC1C(C(OCc2ccc(c(c2)Cc3ccccc3)F)=O)C1(C)C)Cl
+FC(F)(F)C(=Cc1cc(c(cc1)C(O)=O)C)C
+FC(F)(F)C(=O)C(C#N)c1cc2OCOc2c(Cl)c1
+FC(F)(F)C(=O)C=Cc1ccc(cc1)OCC(NCCCCCCCCCCCC)=O
+FC(F)(F)C(=O)N(C)C1CCN(CCC1)c2n(ncc2[N+](=O)[O-])CC(F)F
+FC(F)(F)C(=O)N(CCC)c1c([N+](=O)[O-])cc(F)c([N+]([O-])=O)c1
+FC(F)(F)C(=O)N(CCc1ccn(S(=O)(=O)c2ccccc2)c1)C
+FC(F)(F)C(=O)N1CCC(CC1)N(Cc2ccc(cc2)Cl)C(=O)Cc3ccc(cc3)OC
+FC(F)(F)C(=O)N1CCC(CC1)c2ccc(cc2)C(c3c(cc4cc(C(=O)OC(C)C)ccn34)CCCC)=O
+FC(F)(F)C(=O)N1Cc2c(CC1)cc(cc2)OCC
+FC(F)(F)C(=O)N1Cc2cc(ccc2CC1(C)C)[N+](=O)[O-]
+FC(F)(F)C(=O)NC(C)Cc1c(OC)cc(c(c1)OC)Cc2ccccc2
+FC(F)(F)C(=O)NC1CCCc2c1cc(cc2)F
+FC(F)(F)C(=O)NC1Cc2c(cc(c(CC)c2)CC)C1
+FC(F)(F)C(=O)NCC(C)(C)Cc1cccc(c1)C#CC(CCC)(CCC)O
+FC(F)(F)C(=O)NCCC(c1cc(C#CCCCO)ccc1)O
+FC(F)(F)C(=O)NCc1ccc(c(C2CCN(CC2)C(c3c4c(n(CCOC(F)(F)F)c3)cccc4Br)=O)c1)F
+FC(F)(F)C(=O)Nc1c(Br)nc(cc1)-c2cc3cnn(c3cc2)C
+FC(F)(F)C(C(C)c1cc(Oc2cc(CC#N)ccc2)ccc1Cl)(c3cc4N(C(=O)COc4cc3)C)O
+FC(F)(F)C(C(C)c1ccc(-c2ccc(Cl)c(c2)C(OCC)=O)cc1Cl)(c3ccc4OCC(=O)N(c4c3)C)O
+FC(F)(F)C(C(c1c(c(Cl)c(cc1)Oc2ccc(cc2)C(=O)OC)Cl)C)(O)C=3C=CC(N(C)C=3)=O
+FC(F)(F)C(C)(C(C)(C)C(c1cc2c(n(-c3ccc(cc3)F)nc2)cc1)c4ccccc4)O
+FC(F)(F)C(C)(C)NC(=O)c1cc(ccc1)CN2CCN(CC2)C(=O)c3cc(F)c(N)cc3
+FC(F)(F)C(C)(C)c1c(cc(cc1F)C2CC2C(=O)NCC(=O)c3nccn3CC)F
+FC(F)(F)C(C)(C)c1cc(ccc1OCC(C)N)Cl
+FC(F)(F)C(C)(C1CCC(CC1)N)O
+FC(F)(F)C(C)(O)c1cnc(nc1)-c2ccc(cc2)S(=O)(=O)c3ccc(N)nc3
+FC(F)(F)C(C)C(C(Nc1c(ccc(CC2(CC2)C(=O)OC(C)(C)C)c1)F)=O)N
+FC(F)(F)C(C)NS(=O)(=O)c1cn(C)c(c1)C(Nc2ccc(F)c(c2)Cl)=O
+FC(F)(F)C(C)NS(=O)(=O)c1sc(c(C(=O)Nc2cc(F)c(cc2)F)c1)C
+FC(F)(F)C(C)Oc1c(C2CC2)cnc(C(NC(C(C)(C)C)C#N)=O)c1
+FC(F)(F)C(C)Oc1c(C2CCC2)cnc(C(NC(c3noc(C)n3)(CS(=O)(=O)C)C)=O)c1
+FC(F)(F)C(C)n1c(nc2cnc(Nc3ccnc(n3)-c4cnn(S(=O)(=O)C5CC5)c4)cc12)CO
+FC(F)(F)C(C1=CC(=O)C(OCc2ccccc2)=C(N1C)CCl)O
+FC(F)(F)C(C=Cc1cc(Cl)c(cc1OC)C(NCC(=O)NCC(F)(F)F)=O)c2cc(Cl)c(c(Cl)c2)Cl
+FC(F)(F)C(C=Nc1c2c(ccc1)c(ncc2)O)(O)CC(C)(C)c3c(c(c(cc3)Cl)F)OC
+FC(F)(F)C(CC(=O)c1ccc(cc1)-c2cocn2)=O
+FC(F)(F)C(CC)(O)c1nnc(NCc2cc3nc(c(n3cc2)-c4ccccc4)C(=O)OCC)o1
+FC(F)(F)C(CC1CCc2cc(ccc2O1)NC(OCC)=O)OCc3ccccc3
+FC(F)(F)C(CN(C(=O)c1cccs1)CCC)(O)CNc2cc(C)cc3n(ncc23)-c4ccccc4
+FC(F)(F)C(CNC(=O)c1c(Cl)cccc1Br)(CNC(c2cnn(-c3ccc(cc3)F)c2N)=O)O
+FC(F)(F)C(COC1CCN(CC1)C(OCc2ccccc2)=O)OS(=O)(=O)C
+FC(F)(F)C(F)(F)C(F)(F)c1nn(CC(N2CCN(CC2)c3ccc(cc3)F)=O)c(C)c1N
+FC(F)(F)C(F)(F)C1=NN(C(C1)c2ccc(cn2)-c3cc(C(=O)C)ccc3)c4c(Cl)cccc4
+FC(F)(F)C(F)(F)C1=NN(C(c2nccc(-c3cc(SC)ccc3)c2)C1)c4c(cc(F)cc4)F
+FC(F)(F)C(F)(F)C1=NN(C2CCCCC2)C(c3cccc(-c4ccc(cc4)SC)c3)C1
+FC(F)(F)C(F)(F)CCCCCC(CCCCCCC=C)C(=O)OCC
+FC(F)(F)C(F)(F)c1ccc(cc1)C(NCCc2ccc(cc2)F)=O
+FC(F)(F)C(N(C)C1CN(CC1)c2ccc(cc2)[N+]([O-])=O)=O
+FC(F)(F)C(N(C1CCCCC1)Cc2cnc(cc2)CN)=O
+FC(F)(F)C(N(CCCc1c2c(cccc2)[nH]c1)CCOc3cccc(N)c3N)=O
+FC(F)(F)C(N(c1c(C(=O)Nc2c3c(n[nH]2)ccc(Cc4cc(F)cc(c4)F)c3)ccc(N)c1)C5CCOCC5)=O
+FC(F)(F)C(N1CCN(CC1)C2CNC2)=O
+FC(F)(F)C(N1CCc2c(c(NCc3ccc(cc3)CC(=O)NC(C)C)c(cc2)Cl)CC1)=O
+FC(F)(F)C(N1CCc2ccc(c(NCc3ncc(cc3)OC4CCCCC4)c2CC1)Cl)=O
+FC(F)(F)C(N=S(C1CC1)(c2ccc(cc2)Nc3ncc(C(F)(F)F)c(OC(C(C)O)C)n3)=O)=O
+FC(F)(F)C(NC(C)Cc1ccc(cc1)Sc2ccc(cc2)Oc3cc(ccc3)C(=O)OCC)=O
+FC(F)(F)C(NC(c1c2nc(N3C(CCC3CO)c4cc(cnc4)F)ccn2nc1)=O)C
+FC(F)(F)C(NCc1cc(C2CCN(CC2)C(=O)c3cn(c4c3c(C)ccc4F)CCOC)c(cc1)F)=O
+FC(F)(F)C(NNc1ncc(nc1Cl)Br)=O
+FC(F)(F)C(Nc1ccc(OC(C)C)c(Br)c1)=O
+FC(F)(F)C(Nc1ccc(cc1)C#CCCCNCC(c2c3c(nc(O)cc3)c(O)cc2)O[Si](C)(C)C(C)(C)C)=O
+FC(F)(F)C(Nc1ncc(c2c1c3c(cc(cc3)-c4[nH]nnc4)[nH]2)C(=O)N)C5CC5
+FC(F)(F)C(Nc1scc(n1)-c2ccc(cc2)CN)C
+FC(F)(F)C(O)(C(Nc1ccc(C(=O)c2ccccc2)s1)=O)C
+FC(F)(F)C(O)(C)c1ccc(cc1)N2C(CN(S(=O)(=O)c3sccc3)CC2)CN(Cc4ncn(c4)C)C
+FC(F)(F)C(O)(CC(C)(C)c1c(OC)ccc(F)c1)CNc2c3c(ccc2)nc(cc3)C(NC)=O
+FC(F)(F)C(O)(CNC(c1c(F)cccc1OC(F)F)=O)CNC(c2cnn(-c3ccc(cc3)F)c2N)=O
+FC(F)(F)C(O)(CNC(c1cnn(-c2ccc(cc2)F)c1N)=O)COS(=O)(=O)c3ccc(cc3)C
+FC(F)(F)C(O)(c1cc2cnn(c2cc1)-c3ccc(cc3)F)c4cn(c5c4ncnc5Cl)CCO
+FC(F)(F)C(O)CN1C(=NN(C1=O)CC(O)=O)c2ccc(cc2)Cl
+FC(F)(F)C(O)CN1CCCC(c2cc(S(=O)(=O)C)ccc2)C1
+FC(F)(F)C(O)c1ccc(Cl)c2nc3N(CCCn3c12)c4ccc(cc4C)C#N
+FC(F)(F)C(O)c1ccc(cc1)-c2ccc(cc2)C(C(=O)N)C
+FC(F)(F)C(OC)(OC)CCc1ccc(cc1)OCCN(CC)CCCCCCCCCCCC
+FC(F)(F)C(OC1CCC(CC1)C2CCC(CC2)C3OCC(CO3)CCCC)=O
+FC(F)(F)C(Oc1cc(-c2ccc(cc2)CC(C(=O)O)N)nc(N)n1)c3c(cccc3)-c4cc(sc4)C
+FC(F)(F)C(Oc1cc(N2CCC3(CC2)CCNC(C3)C(=O)O)nc(N)n1)c4c(-n5ccc(C)n5)cc(Cl)cc4
+FC(F)(F)C(c1c(-c2ccccc2)c3c(sc(Cl)c3)nc1C)=O
+FC(F)(F)C(c1c(-c2ccccc2)cc(cc1)S(=O)(=O)C)=O
+FC(F)(F)C(c1cc(C)c(c(C)c1)NC(c2cccc([N+]([O-])=O)c2)=O)=C
+FC(F)(F)C(c1cc(C)c(c(c1)C)C#N)(O)C(c2c(Cl)cc(cc2)Oc3ccc(cn3)C(=O)OC)C
+FC(F)(F)C(c1cc(C)c(c(c1)C)N)O
+FC(F)(F)C(c1ccc(c2nc3N(CCCn3c12)c4c(Cl)cc(Cl)cc4)Cl)OCC
+FC(F)(F)C(c1ccc(cc1CCOC2CCCCO2)OC)(O)C
+FC(F)(F)C(c1ccc2OCC(=O)N(c2c1)C)(O)C(C)c3c(Cl)cc(Oc4ccc(C(=O)O)cn4)cc3
+FC(F)(F)C(c1ccc2n(c(-c3nc4c(cc3)cc(F)c(OCC)c4)nn2)c1)N5CC(CC5)N
+FC(F)(F)C(c1cn(c(c1)C(N(C)C)=O)CC=C)(O)c2ccc3c(c2)cnn3-c4ccc(cc4)F
+FC(F)(F)C(c1cn(nn1)Cc2cc3cc(C(=O)NCC)c(n3cc2)-c4ccc(cc4)F)(O)CC
+FC(F)(F)C1(CC(=NO1)c2ccnc3c2cccc3C#N)c4cc(Cl)cc(Cl)c4
+FC(F)(F)C1(CC(c2ccc(cc2)CNCc3ccc(cc3)SC)=NO1)O
+FC(F)(F)C1(CC(c2ccc3c(C(C)(C)OB3O)c2)=NO1)c4cc(Cl)c(c(c4)Cl)C(F)F
+FC(F)(F)C1(CC1)C(=O)NCc2cc(Nc3nc4c(cc(c(Cl)c4)N5CCN(CC5)C)n3C)c(cc2)Cl
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(Cl)c(Nc3nc4cc(c(cc4[nH]3)OCC(F)F)C(Nc5ccc(cc5)Br)=O)c2
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(c(N=C=S)c2Cl)Cl
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(c(Nc3n(c4ccc(cc4n3)C(Nc5ccc(cc5)Br)=O)CCN(C)C)c2)Cl
+FC(F)(F)C1(CC1)CN2CCC(CC2)c3cc4c(cnc(-c5ccc(cc5F)S(=O)(=O)C)c4)o3
+FC(F)(F)C1(CCC(CC1)CN2Cc3c(C2C(C)C)ccc(C(NCc4ccc(cc4)S(=O)(=O)CC)=O)c3)O
+FC(F)(F)C1(CCC2(CC1)C(=C(C(=O)N2)c3c(ccc(c3)Br)C)O)OC
+FC(F)(F)C1(Cc2cc(ccc2O1)-c3c(F)c(NC(C4CC4)=O)ccc3)c5cc(Cl)cc(Cl)c5
+FC(F)(F)C1(O)C(Oc2c(cccc2)C1)Nc3cc(F)cc4nc(C)ncc34
+FC(F)(F)C1(ON=C(c2c3c(c(s2)C(Cl)=O)CCCC3)C1)c4cc(Cl)cc(Cl)c4
+FC(F)(F)C1(ON=C(c2ccc(c(C)c2)C(NCc3cc4c(C(C)(C)OB4O)cc3)=O)C1)c5cc(Cl)c(c(Cl)c5)F
+FC(F)(F)C1(ON=C(c2sc(C(=O)NCC(=O)NCC#C)c3CCCc23)C1)c4cc(Cl)c(c(Cl)c4)F
+FC(F)(F)C1(c2c(c(Cl)c(c(Cl)c2)Cl)Cl)CC(=NO1)c3cc4C(C)(C)OB(c4cc3)O
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(CBr)c(c3)Cl
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c3c4ccncc4c(Br)cc3)=NO1
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c3ccc(c(C)c3)C(NCc4cc5c(C(C)(C)OB5O)cc4)=O)=NO1
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)CCN(c3cc([N+]([O-])=O)c(C(NCc4ccccn4)=O)cc3)C1
+FC(F)(F)C1(c2cc(Cl)cc(c2)Cl)Cc3c(O1)ccc(-c4cccc(NC(C5CC5)=O)c4)c3
+FC(F)(F)C1=C(C(N(C(c2cc(-c3ccc4cc([nH]c4c3)C(=O)Cl)ccc2)=C1)Cc5c(cc(cc5)C)C)=O)C#N
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c(F)cc(Cl)c(C)c2NC(Oc3ccccc3)=O
+FC(F)(F)C1=CC(=O)N(C(=O)N1C)c2c3c(CC(C)(C)O3)c(cc2)Cl
+FC(F)(F)C1=CC(=O)N(c2cc(Oc3ccc(cc3)OC(C(=O)OC)C)c(cc2F)Cl)C(=O)N1C
+FC(F)(F)C1=CC(N(C(N1C)=O)c2c(cc(Cl)c3c(c(oc23)C)C(=NOC)C)F)=O
+FC(F)(F)C1=CC(N(c2nccn12)c3cc(NS(=O)(=O)C)c(C#N)cc3F)=O
+FC(F)(F)C1=CN=C(c2cc(c(cc2Cl)Cl)NC(C)C(OCC)=O)C(=O)N1C
+FC(F)(F)C1CC(CF)(NC(=N)O1)c2c(ccc(n2)NC(=O)c3ccc(cn3)C#N)F
+FC(F)(F)C1CC(O)(CNC(=O)c2cn(c3c2c(ccc3)Cl)CC4OCCC4)CCC1
+FC(F)(F)C1CCC(CC1)C(=O)CN2CCC(CC2)N3c4ccc(S(=O)(=O)C)cc4NC3=O
+FC(F)(F)C1CCC(CC1)CN
+FC(F)(F)C1CCC(CC1)NC(c2c(OCCOC)nc(NC)c(c2)N)=O
+FC(F)(F)C1CCC(CC1)Oc2ccc3cc(CN4CC(C4)C(=O)O)ccc3c2
+FC(F)(F)C1CCN(CC1)CCOc2ccc3c(c2)cc(C(=O)O)o3
+FC(F)(F)C1CCN(CC1)c2c(C#N)cc(N)c(c2)NC
+FC(F)(F)C1CCN(CC1)c2cc3n(C)c(nc3cc2Cl)Nc4c(cc(c(CN)c4)F)Cl
+FC(F)(F)C1Oc2c(COCC)cc(C)cc2C=C1C(=O)OCC
+FC(F)(F)C1c2cccc3CNCC(N(c23)CC1)C
+FC(F)(F)C=1C=C(C)N(c2c(Cl)ccc(c2)C(N(c3cccc(F)c3Cl)C)=O)C(N=1)=O
+FC(F)(F)C=1N(C(N(C(C=1)=O)c2cc3c(cc2)snc3-c4ccc(O)c(c4)C)=O)C
+FC(F)(F)C=1N(C(N(C(C=1)=O)c2ccc3snc(Cl)c3c2)=O)C
+FC(F)(F)C=1N(C(N(c2ccc(c(c2)C(=O)OC(C)(C)C(OCC)=O)Cl)C(=O)C=1)=O)CC=C
+FC(F)(F)C=1N(C)C(=O)N(C(=O)C=1)c2cc(c(cc2F)Br)OCC
+FC(F)(F)C=1N(C)C(C(c2c(cc(c(c2)OCC#C)Cl)F)=NC=1)=O
+FC(F)(F)C=1NC(=C(C#N)C(C=1C#N)c2cc3c([nH]nc3C)cc2F)CCC(F)(F)F
+FC(F)(F)C=Cc1ccc(C(Nc2cc3N(CCCc3cc2)C(=O)C)=O)c(c1)C
+FC(F)(F)CC(=O)Nc1ccc(cc1)Sc2nc(c(c(N3CC(C3)(F)C4CC4)n2)F)Nc5cc(n[nH]5)C
+FC(F)(F)CC(=O)Nc1ccc(cc1)Sc2nc(cc(N3CC(C3)(C4CC4)F)n2)Nc5n[nH]c(c5)C
+FC(F)(F)CC(C)(C)CC1=Nc2n(cnc2C(N1c3ccc(cc3)Cl)=O)C
+FC(F)(F)CC(C)CNC(=O)c1cc2c(Cc3ccc(C(=O)OCc4ccccc4)cc3OC)c[nH]c2cc1
+FC(F)(F)CCC(C#N)(C#N)CCCCCF
+FC(F)(F)CCC(C#N)(C#N)Cn1c2ccccc2c(SC(Cl)(Cl)F)c1
+FC(F)(F)CCCN(c1ccc(cc1[N+](=O)[O-])Br)C2CCCCC2
+FC(F)(F)CCCOc1ccc2c(scc2NC(OCC)=O)c1
+FC(F)(F)CCCS(=O)(=O)Oc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C
+FC(F)(F)CCCc1c2cc(OC3CCNCC3)ccc2cnc1
+FC(F)(F)CCCn1c2c(nc1CO)cc(CN)cc2
+FC(F)(F)CCN1CC(N(Cc2c(cccc2F)Cl)c3ccc(C#N)c(c3)Cl)CC1
+FC(F)(F)CCN1CCC(CC1)C(Cl)=O
+FC(F)(F)CCN1CCC(CC1)CNCC(COc2cccc3[nH]c(cc23)C)O
+FC(F)(F)CCN1CCN(CC1)c2c(cc(c(c2)Cl)Cl)NC(=O)c3c(cc(CBr)cc3)F
+FC(F)(F)CCN1CCN(CC1)c2c(ccc(Cl)c2)NC(=O)c3cc4c(CCN(C4)C(=O)CCC)cc3
+FC(F)(F)CCN1CCN(CC1)c2ccc(cc2)-c3cccc4c3-c5nc(N)nc(-c6ccc(cc6)F)c5C4=O
+FC(F)(F)CCNC(=O)c1ccc(cc1)-c2csc(-c3cc(ncc3)CC)n2
+FC(F)(F)CCOc1c(Cl)cc(c(c1Cl)C(=O)Cl)F
+FC(F)(F)CCOc1cc(CNCCc2c3cc(ccc3[nH]c2)OC)ccc1
+FC(F)(F)CCOc1ccc(cc1)-n2c(c(nc2-c3c(Cl)cc(cc3)Cl)C(NN4CCCCC4)=O)C
+FC(F)(F)CCS(=O)(=O)CCCN(CCO)CCCCCCC1=C(CCCc2cc(O)ccc12)c3cccc(c3)O
+FC(F)(F)CCSCCC(=O)Nc1c(Cl)nn(-c2cccnc2)c1
+FC(F)(F)CCc1c(ccc(C(=O)C)c1O)OCCCOc2cc(NC(C(OC)=O)=O)ccc2
+FC(F)(F)CN(C(CN1C=Nc2c(c(c(C(=O)N3CCN(CC3)c4cc(Cl)ccc4)s2)C)C1=O)=O)CC
+FC(F)(F)CN(c1ncc(cc1)NC(c2c(nn(n2)-c3ccccc3)C)=O)C
+FC(F)(F)CN1C=C(c2ccc(cc2)F)C(=O)C(C(Nc3ccc(cc3)-c4cc(cnc4N)-c5cn(C)nc5)=O)=C1
+FC(F)(F)CN1CCC(CC1)COc2cc(F)c(cc2C3CC3)C(=O)O
+FC(F)(F)CN1CCC(CC1)NC(=O)c2cnc(-c3ccccc3F)cc2
+FC(F)(F)CN1CCC(CC1)NC(c2cnc(cc2)-c3cccc(C#N)c3)=O
+FC(F)(F)CN1CCCC(c2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2)C1
+FC(F)(F)CN1CCCN(CC1)c2ccc3N4CC(N(c3n2)C(=O)Nc5ccncn5)CCC4
+FC(F)(F)CNC(=N)Nc1nc(SCCCC#N)ncc1
+FC(F)(F)CNC(=Nc1cccc(c1)CCl)N
+FC(F)(F)CNC(=O)C1(c2c(-c3c1cccc3)cccc2)CCCCN4C(C)CN(CC4C)c5nc6ccccc6s5
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2cnc3n2ncc(-c4cc(C(=O)O)ccc4)c3
+FC(F)(F)CNC(=O)Nc1cccc(c1)-c2n3ncc(cc3nc2)-c4cnn(C5(CN(C5)C(=O)OCC6CC6)CC#N)c4
+FC(F)(F)CNC(c1ccc(C)c(c1)-c2nc(nc3N(C(=O)C=Cc23)c4c(F)cccc4F)NCCCN(CC)CC)=O
+FC(F)(F)CNCC1(CCN(CC1)C(=O)OC(C)(C)C)COCc2ccccc2
+FC(F)(F)CNCC1(CCN(CC1)c2c3n(nc(Nc4ccc(cc4)C(N(C)C5CCN(CC5)C)=O)n3)ccc2)CO
+FC(F)(F)CNCC1CCNC1
+FC(F)(F)CNCc1c(-c2cc(CC(=O)OC)ccc2OC)ccc(c1)C(F)(F)F
+FC(F)(F)CNc1c(cc(Cl)cn1)C(NC(C)(C)C#C)=O
+FC(F)(F)CNc1c(nc(Cl)nc1)C(N)=O
+FC(F)(F)COCCOCCOCCOCCOCCOCCOCc1ccccc1
+FC(F)(F)COCCOc1c(cc(Cc2ccc(cc2)CC)c(c1)Cl)Br
+FC(F)(F)COCc1cc(COCC2CC2)nc(Cl)n1
+FC(F)(F)COCc1cccc(-c2n(nc(N)c2)-c3ccccc3)c1
+FC(F)(F)COCc1cccc(c1)-c2cc(NC(C3CC(NC3)=O)=O)nn2-c4ccc(cc4)F
+FC(F)(F)COc1c(C2CC2)ccc(C(NC3(COC3)c4nccs4)=O)n1
+FC(F)(F)COc1c(C2CCCCC2)cc(cn1)C(Nc3cnccc3)=O
+FC(F)(F)COc1c(Cl)cc(cc1-c2ccc(cc2)C)C(C(O)=O)CC3CC3
+FC(F)(F)COc1c(Cl)cccc1CC(N2CCN(c3c(C)cccc3)CC2C(=O)N)=O
+FC(F)(F)COc1c(OCCOS(=O)(=O)C)cccc1
+FC(F)(F)COc1c(cc(cn1)NC(c2cc(cnc2)C)=O)-c3ccc(cc3)Cl
+FC(F)(F)COc1c(ccc(C(N2CC(C2)F)=O)c1)Nc3nn4ccc(Cl)cc4n3
+FC(F)(F)COc1cc(cc(Br)c1N)C(C(OC)=O)CC2CCC2
+FC(F)(F)COc1cc(ncc1C2CC2)C(=O)NC(c3nnn(C)n3)(CC4CC4)C
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+FC(F)(F)COc1cnc2c(ccnc2c1)Cl
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+FC(F)(F)COc1nc(nc(NC2CN(CC2)S(=O)(=O)C)n1)Nc3cc(c(cc3)F)Cl
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+FC(F)(F)S(c1cc(c(O)cc1)NC(=O)c2c(S(=O)(=O)CC)cccn2)=O
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+FC(F)(F)c1c(-c2cccc(Cl)c2)ccc(c1)NC(Nc3c(C)cc(Oc4ccnc(NCCCCN(C)C)n4)cc3)=O
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+FC(F)(F)c1c(c(cc(N2Cc3c(CC2)cccc3)c1)Cl)NC(CCC4CCCC4)=O
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+FC(F)(F)c1c(cc2N=C3C(N(CCCCCCC(OCC)=O)c2c1)=NC(O)=NC3=O)C
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+FC(F)(F)c1c(ccc(NC(Nc2ccc(cc2)Oc3ncnc(SC)c3)=O)c1)Cl
+FC(F)(F)c1c(ccc(NC(c2ccc(C)c(-c3cc4cnncc4cc3)c2)=O)c1)CN5CCOCC5
+FC(F)(F)c1c(ccc(NC2CCC(CC2)OCC(=O)N3CCN(CC3)CC4Cc5ccccc5O4)c1)[N+]([O-])=O
+FC(F)(F)c1c(ccc(NC2CCC(CC2)OCC(N3CCN(CC3)C(C4Oc5ccc(Cl)cc5C4)=O)=O)c1)[N+]([O-])=O
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+FC(F)(F)c1cc(Cl)c(c(Cl)c1)-c2cc(S(=O)(=O)C)n(C)n2
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+FC(F)(F)c1cc(F)c(cc1)-c2c3c(n(cn3)-c4ccc(cc4)O)ncn2
+FC(F)(F)c1cc(F)c(cc1)C(=O)NCCn2cc(nc2)C(OC)=O
+FC(F)(F)c1cc(F)ccc1OCCN2C(C=3N(CC2)C(=O)C(n4cc(nc4)C)=CC=3)=O
+FC(F)(F)c1cc(I)cc(OCCOC)c1
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+FC(F)(F)c1cc(N)c(N2CCCCC2)c(c1)C(=O)Nc3ccc(c(Cl)c3)Cl
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+FC(F)(F)c1cc(Nc2ccc(cc2Cl)Cl)ncc1CNCc3ccc(cc3)F
+FC(F)(F)c1cc(Nc2nc(-c3scnc3)cc(N)c2)ncc1
+FC(F)(F)c1cc(Nc2nc(CCC)cc(Cl)n2)ccc1F
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+FC(F)(F)c1cc(Oc2ccc(cc2)CCNc3ncc(c(O)n3)Cc4cnc(nc4)C)ccc1Cl
+FC(F)(F)c1cc(Oc2ccc(cc2)CSc3ncc(CO)c(O)n3)ccc1Cl
+FC(F)(F)c1cc(Oc2ccc(cc2)CSc3ncc(Cn4ccc5ccccc45)c(O)n3)ccc1Cl
+FC(F)(F)c1cc(S(=O)(=O)NC)c(cc1)-c2cc(c(-c3cnc(nc3)N)cc2)F
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+FC(F)(F)c1cc(SC)c(c(OC)c1)C(NC2(CN(C)CCC2)C3CCCCC3)=O
+FC(F)(F)c1cc([N+](=O)[O-])c(Cl)c(C(=O)OCC)c1
+FC(F)(F)c1cc(c(-c2c(OC)ccc(CC(OCC)=O)c2)cc1)CO
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+FC(F)(F)c1cc(c(OC)cc1)NC(Nc2ccc(cc2)Oc3ccnc(NCCCO)n3)=O
+FC(F)(F)c1cc(c(c(CBr)c1)I)[N+](=O)[O-]
+FC(F)(F)c1cc(c(c(Cl)c1)-n2c(NC(=O)C)ccn2)F
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+FC(F)(F)c1cc(c(cc1)-c2ncnc(Nc3cc4cc[nH]c4cc3)c2N)F
+FC(F)(F)c1cc(c(cc1)Br)SC2CC(c3ccc(cc3)Cl)OCC2
+FC(F)(F)c1cc(c(cc1)CCNC(c2ccc(cc2)Oc3cc4OCCC(c4cc3Cl)C(O)=O)=O)OC
+FC(F)(F)c1cc(c(cc1)F)NC(=O)Nc2ccc(cc2)-c3nsc(c3C(=O)N)NC(=O)NCCCN4CCOCC4
+FC(F)(F)c1cc(c(cc1)Oc2c(OC)ccc(CC(=O)OCC)c2)CNC3C(O)Cc4c3cccc4
+FC(F)(F)c1cc(c(cn1)-c2c(cc(O)c(S(=O)(=O)N(c3ccccc3)C)c2)Cl)C#N
+FC(F)(F)c1cc(c(nc1)-c2cc3N(C)C(N(C(C)C)c3cc2)=O)Cl
+FC(F)(F)c1cc(c(nc1)Oc2c(CCC(=O)NS(=O)(=O)CCCOC)ccc(OCCOC)c2)Cl
+FC(F)(F)c1cc(c2cc(-c3oc4c(cccc4)c3Br)ccc2n1)OC
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2C(Cn3c(nnc3C4CCN(CC4)C(=O)C)C2)c5ccc(cc5)F)C
+FC(F)(F)c1cc(cc(COCC2(CCNCC2)c3ccc(F)cc3Br)c1)-c4ccc(cc4)C#N
+FC(F)(F)c1cc(cc(N)c1)-c2nnc(o2)C
+FC(F)(F)c1cc(cc(N)c1)CCCN2CCOCC2
+FC(F)(F)c1cc(cc(N)c1)Nc2nc(c3c(CCCC3)n2)N4CCCC(C4)NC(=O)OC(C)(C)C
+FC(F)(F)c1cc(cc(NC(=O)C2CCCC2)c1)-c3cnco3
+FC(F)(F)c1cc(cc(Oc2ccc(cc2)CCOc3ncc(c(n3)O)Cc4cnc(nc4)OC)c1)Cl
+FC(F)(F)c1cc(cc([N+](=O)[O-])c1NC(C)=O)Oc2ccc(cc2)C=O
+FC(F)(F)c1cc(cc(c1)N)CN(C)C
+FC(F)(F)c1cc(cc(c1)NC(CN2CCCC2)=O)C(Nc3cccc(c3)-c4n5c(cc(n5)-c6ccncc6)ncc4)=O
+FC(F)(F)c1cc(cc(c1N)N)Cl
+FC(F)(F)c1cc(ccc1)-c2cc(ccc2OCC(=O)O)C(C)N(C)S(=O)(=O)c3ccc(cc3)F
+FC(F)(F)c1cc(ccc1)-c2cc3c(cc2)[nH]c(NC(=O)c4nc5ccc(c(n5c4)C)C#CC(C)(C)O)n3
+FC(F)(F)c1cc(ccc1)-c2n3ncc(c3ncc2)Br
+FC(F)(F)c1cc(ccc1)-c2nc(c(C(CC)Cl)cc2)C
+FC(F)(F)c1cc(ccc1)-c2nc(on2)Cn3cc(C(=O)OCC)cn3
+FC(F)(F)c1cc(ccc1)CC(CN2C(=O)c3ccccc3C2=O)NC(c4sc(C)c(c4)-c5ccnn5C)=O
+FC(F)(F)c1cc(ccc1)CC(NC(CCCc2ccccc2)=O)C(O)c3ccc(cc3)F
+FC(F)(F)c1cc(ccc1)CNCC(COc2ccc3C(=O)C(=COc3c2)c4ccc(cc4)O)O
+FC(F)(F)c1cc(ccc1)Cc2ccc(cc2)C(N3CC(C3)C4CCN(CC4)C(=O)c5sccn5)=O
+FC(F)(F)c1cc(ccc1)N2C(=C(c3noc(C)n3)C=C(C(=O)NCc4ccc(cc4)S(=O)(=O)C)C2=O)C
+FC(F)(F)c1cc(ccc1)N2C(NC(C(C(=O)O)=C2C)c3ccc(cc3)C#N)=O
+FC(F)(F)c1cc(ccc1)N2C3=C(C(=O)CCC3)C(c4ccc(cc4)C#N)N(CC(=O)N5Cc6c(n(nc6)C)C5)C2=O
+FC(F)(F)c1cc(ccc1)N2N=C(c3ccnn3-c4ccccc4)C(C(OCC)=C2)=O
+FC(F)(F)c1cc(ccc1)N=C2c3ccccc3N(c4ccc(cc4)OCCCN(CC)CC)C2=O
+FC(F)(F)c1cc(ccc1)NC(=O)c2ccc(cc2)Nc3nc(cc(Nc4cc(C5CCCC5)[nH]n4)n3)C
+FC(F)(F)c1cc(ccc1)Nc2c3ccc(C)c(C4=Cc5c(N(C)C4=O)nc(NC)nc5)c3ccn2
+FC(F)(F)c1cc(ccc1)Nc2cc(ncn2)-c3cc(N4CCCCC4)ccc3[N+](=O)[O-]
+FC(F)(F)c1cc(ccc1)S(=O)(=O)N2CCN(CC2)CC(O)COc3cccc4[nH]c5c(cccc5)c34
+FC(F)(F)c1cc(ccc1-c2ccccc2)-c3sc4cc(CNCCC(=O)O)ccc4n3
+FC(F)(F)c1cc(ccc1-n2ccnc2C)NC(=O)c3cc(Nc4nc5c(cccc5)n4-c6cc(ncn6)N)c(C)cc3
+FC(F)(F)c1cc(ccc1C#N)N2C(=S)N(C3(CCC3)C2=O)c4ccc(cc4)CCCC(=O)N(C)C
+FC(F)(F)c1cc(ccc1C#N)N2C(N(CCCC(=O)NCCOCCOCC)C(C)(C)C2=O)=S
+FC(F)(F)c1cc(ccc1C#N)Oc2ccc(cc2)-c3nc(cc(n3)C(N)=O)C=C
+FC(F)(F)c1cc(ccc1C(CCCCl)C#N)Cl
+FC(F)(F)c1cc(ccc1C(N)=NO)C=C
+FC(F)(F)c1cc(ccc1F)NC(=O)c2c3ccc(cc3ccc2)Oc4ccnc(NC(=O)NC)n4
+FC(F)(F)c1cc(ccc1OCC2CC2)COc3ccc4c(c5c(C(CC(=O)O)CC5)[nH]4)c3
+FC(F)(F)c1cc(ccc1OCCCCCCC)CP(OCC)(OCC)=O
+FC(F)(F)c1cc(ccc1OCCCN(C(C2N(C)CCCC2)=O)C)-c3nc(C#N)c4ncn(C)c4c3
+FC(F)(F)c1cc(ccc1OCc2cnccc2)-c3cc(c(c(n3)C#N)N)NC
+FC(F)(F)c1cc(ccn1)N2C3=C(C(c4ccc(cc4C(O)=O)C#N)N(C2=O)C)C(CC3)=O
+FC(F)(F)c1cc(cnc1N)-c2c(nc3ccc(-c4ccc(c(OC)c4)OCCN)nn23)C
+FC(F)(F)c1cc(n(-c2cccc(c2)Cl)n1)CNC(Nc3ccc(C(=O)N)nc3)=O
+FC(F)(F)c1cc(nc(c1)C(N)=O)F
+FC(F)(F)c1cc(nc2n(C)nc(I)c12)Cl
+FC(F)(F)c1cc(ncn1)Nc2nc(-c3scnc3)cc(C)c2
+FC(F)(F)c1cc(nn1C)Oc2cc(Oc3c(cccc3)OCC(OC)=O)c(cc2)[N+]([O-])=O
+FC(F)(F)c1cc(sc1)COC=2C=CN(c3cc4c(nn(C5CC5)c4C)cc3)C(=O)C=2
+FC(F)(F)c1cc-2c(S(=O)(=O)Nc3c-2cc(c4cccnc34)Cl)cc1
+FC(F)(F)c1cc2C(C)(C)CC(c3cccc(c3)NC(C)(C)C(O)=O)N(C)c2cc1
+FC(F)(F)c1cc2CN(CCc2cc1)C(C3(CC(NC4CCC(CC4)(c5cncs5)O)CC3)C(C)C)=O
+FC(F)(F)c1cc2N(C(=O)C3CCOCC3)CCc2c(c1)Br
+FC(F)(F)c1cc2NC(=O)CC(c3ccnc(-c4cnccc4)c3)=Nc2cc1OCC
+FC(F)(F)c1cc2NC(N(c3cc(CC)c(cc3OC)OC)c2cc1)=O
+FC(F)(F)c1cc2[nH]ncc2c(C(OC)=O)c1
+FC(F)(F)c1cc2c(N=C(CC(=O)N2)c3cccc(c3)-c4ccnn4C)cc1N(C)C
+FC(F)(F)c1cc2c([nH]1)ncc(c2)CNc3cc(ncn3)C(=O)C
+FC(F)(F)c1cc2c(c(c1)Cl)nnc3c(C)ncn23
+FC(F)(F)c1cc2c(cc1)CCN(C(c3nn4cc(cnc4c3)Br)=O)C2C
+FC(F)(F)c1cc2c(cc1)nc(C#N)cc2O
+FC(F)(F)c1cc2c(cc1)nccc2OCCCCCOC3=COC(COS(=O)(=O)C)=CC3=O
+FC(F)(F)c1cc2c(ccc(OC)n2n1)C(CC)=O
+FC(F)(F)c1cc2c(cn(c2cc1F)C)CN3C(C4=CC=C(n5cc(nc5)C)C(=O)N4CC3)=O
+FC(F)(F)c1cc2c(nc1)c(nc(-c3ccccc3SCC)n2)O
+FC(F)(F)c1cc2c(nc3c(C(N(C3)CC)=O)c2Cl)cc1
+FC(F)(F)c1cc2c(scc2)c(c1)Br
+FC(F)(F)c1cc2nc(-c3cc(Cl)[n+]([O-])cc3)oc2cc1
+FC(F)(F)c1cc2ncc(c(OCCCCCOC=3C(=O)C=C(CN4CCOCC4)OC=3)c2cc1)C(=O)OCC
+FC(F)(F)c1cc2ncn(-c3ccccc3)c2c(c1)-c4cc(N(C)C(C)=O)ccc4
+FC(F)(F)c1ccc(-c2c(OC)ccc(CC(O)=O)c2)c(CN(CC)C(NCc3ccc(cc3)Cl)=O)c1
+FC(F)(F)c1ccc(-c2c(ncc(Br)c2)OC)c(c1)CN(CC)C(C3CC3)=O
+FC(F)(F)c1ccc(-c2cc(ccc2OC)CC(=O)N)c(CN(CC)C(C3CC3)=O)c1
+FC(F)(F)c1ccc(-c2nc3ccc(N4CC(C)OC(C4)C)nn3c2)cc1NC(C(C)(C)C)=O
+FC(F)(F)c1ccc(-c2nnc(cc2)NC(=O)c3ccc(cc3)Oc4cc5OCCC(c5cc4Cl)C(O)=O)c(Cl)c1
+FC(F)(F)c1ccc(C#Cc2nnc(OCc3ccccc3)c(c2)OCc4ccccc4)cc1C
+FC(F)(F)c1ccc(C(C(Nc2sccn2)=O)CC3CCCC3)cc1F
+FC(F)(F)c1ccc(C=CC(O)=O)c(c1)NCC
+FC(F)(F)c1ccc(CC(Nc2c(nc(NCc3ccc(cc3)F)cc2)N4CCCC4)=O)cc1F
+FC(F)(F)c1ccc(CCn2c3c(c4CN5CCC(CC5)c24)cc(C)cc3)cn1
+FC(F)(F)c1ccc(Cl)c(C(NC2CCC(CC2)C(Nc3ccccc3)C)=O)c1
+FC(F)(F)c1ccc(Cn2c3cccc(c3cn2)NC(=O)c4cnc5cc(OCCN6CCN(CC6)C)ccn45)nc1
+FC(F)(F)c1ccc(F)c(-c2noc(c2C(O)c3cccnc3)-c4cc(Cl)ccc4)c1
+FC(F)(F)c1ccc(N2C(CN(Cc3c(-c4[nH]c5ccncc5n4)n[nH]c3)CC2)C)nc1
+FC(F)(F)c1ccc(N2CCCC(N(C)C(OC(C)(C)C)=O)C2)c(NC(c3cc(ccc3F)I)=O)c1
+FC(F)(F)c1ccc(NC(=O)OC(C)(C)C)c(NC(CC(c2cccc(-c3cnccc3C)c2)=O)=O)c1
+FC(F)(F)c1ccc(NC(=O)c2nn(c3ccc(Br)cc23)C4CCCCO4)cn1
+FC(F)(F)c1ccc(NC(c2c3c(c4c(c2)[nH]c(n4)Nc5c(cccc5Cl)C)CC(C)(C)O3)=O)nc1
+FC(F)(F)c1ccc(NCC2CC3C(CN2)C3)nn1
+FC(F)(F)c1ccc(Nc2c3ccn(C)c3c(cn2)C(=O)N4CCOCC4)c(C)c1
+FC(F)(F)c1ccc(Nc2ccc(nc2)-c3ccc(cc3)C4CCC(CC4)CC(O)=O)cn1
+FC(F)(F)c1ccc(O)c(Cn2ncnc2)c1
+FC(F)(F)c1ccc(OCCCOc2c(cc(cc2C#Cc3c(Cl)cccc3)OCC=C(Cl)Cl)Cl)nc1
+FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N4CCNCC4)cn1
+FC(F)(F)c1ccc(c(C(N(C)c2c(ccnc2)-c3ccccc3C)=O)c1)F
+FC(F)(F)c1ccc(c(CN(CC)C(CN2CCCC2)=O)c1)-c3cc(ccc3OC)CC(OCC)=O
+FC(F)(F)c1ccc(c(CN(CC)S(=O)(=O)c2ccc3c(cccc3)c2)c1)Oc4cc(ccc4)CC(OC)=O
+FC(F)(F)c1ccc(c(CN(Cc2ccccc2)C(OC)=O)c1)-c3c(ccc(c3)CC(OC)=O)OC
+FC(F)(F)c1ccc(c(c1)-c2cc(C(NC3CCCCC3O)=O)cnc2OC4CCCC4)Cl
+FC(F)(F)c1ccc(c(c1)CN(C(C2(CC2)O)=O)CC)-c3cc(ccc3OC)CC(OCC)=O
+FC(F)(F)c1ccc(c(c1)F)CCC(NCCCc2cc(C)nn2CC)=O
+FC(F)(F)c1ccc(c(c1F)F)-c2sc(COc3ccc4ccn(CC(O)=O)c4c3)c(C)n2
+FC(F)(F)c1ccc(c2n(C)c(C(OCC)=O)cc12)OCCCl
+FC(F)(F)c1ccc(cc1)-c2c(C)nn(c2-c3ccc4c(c3)NC(CO4)=O)C
+FC(F)(F)c1ccc(cc1)-c2c(O)nccc2
+FC(F)(F)c1ccc(cc1)-c2c(cc(cc2)C(CCCCCC)Oc3c(cc(cc3)C(NCCC(O)=O)=O)F)C
+FC(F)(F)c1ccc(cc1)-c2c(ccc(CC(OCC)=O)c2)I
+FC(F)(F)c1ccc(cc1)-c2c(n3c(n2)ccc(-c4ccccc4)c3)CN5CCOCC5
+FC(F)(F)c1ccc(cc1)-c2c3c(sc2C)cc(cc3)OCCN(c4nc(ncc4)C)C
+FC(F)(F)c1ccc(cc1)-c2cc(C(C(=O)OCC)CC(C)C)ccc2OCC
+FC(F)(F)c1ccc(cc1)-c2cc(CN(C)C)ccc2C(=O)O
+FC(F)(F)c1ccc(cc1)-c2cc(CO)c(cc2)NC(=O)CCl
+FC(F)(F)c1ccc(cc1)-c2cc(COc3ccc(c(c3)C)CCCCn4ccnn4)cnc2
+FC(F)(F)c1ccc(cc1)-c2cc(F)c(c(c2)N)NC=O
+FC(F)(F)c1ccc(cc1)-c2cc(c(s2)CCl)C
+FC(F)(F)c1ccc(cc1)-c2cc(cc(N3CCCC3)n2)CNC(=O)C(=C)N(C)S(=O)(=O)c4ccc(cc4)Cl
+FC(F)(F)c1ccc(cc1)-c2cc(n(n2)C)CCOc3cc4c(ccn4CC(=O)O)cc3
+FC(F)(F)c1ccc(cc1)-c2cc(nc(n2)C#CCC3(CCN(C)C3=O)N)C
+FC(F)(F)c1ccc(cc1)-c2cc3c(cc2)N(CC3(C)C)S(=O)(=O)c4ccc(cc4)N(C)CC(=O)O
+FC(F)(F)c1ccc(cc1)-c2ccc(NS(=O)(=O)C)cc2CO
+FC(F)(F)c1ccc(cc1)-c2ccc(c(C)n2)CCOc3c4c(cccc4)cc(c3)OC(C)(C)C(OCC)=O
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NC(c3ccc(cn3)C(NCc4[nH]nnn4)=O)CC(C)C
+FC(F)(F)c1ccc(cc1)-c2ccc(cc2)NCc3ccc(OC)cc3-c4cnc(C(=O)NCCC(=O)O)cc4
+FC(F)(F)c1ccc(cc1)-c2ccc(nc2)COc3cc(C)c(cc3)CCCCn4nncc4
+FC(F)(F)c1ccc(cc1)-c2ccc(nn2)COc3cc(c(cc3)OC(C)(C)C(O)=O)C
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCC)Cc3ccc(OCC(=O)O)c(C)c3)c2
+FC(F)(F)c1ccc(cc1)-c2cccc(N(CCCCC)Cc3ccc(OCC(=O)O)c(C)c3)c2
+FC(F)(F)c1ccc(cc1)-c2ccccc2C(=O)Nc3ccc(cc3)C=CCN
+FC(F)(F)c1ccc(cc1)-c2coc(n2)C(CO)Oc3c(c(c(F)cc3)C(=O)N)F
+FC(F)(F)c1ccc(cc1)-c2csc(NCCOc3ccc(c(C)c3)OC(C)(C)C(OC)=O)n2
+FC(F)(F)c1ccc(cc1)-c2csc(n2)N(CCC(C)C)Cc3ccc(cc3)COc4ccc(cc4)CCC(OC)=O
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(C)=NNC(=O)c3ccc(C(=O)O)s3)c2O
+FC(F)(F)c1ccc(cc1)-c2nc(-n3cc(-c4ccc(nc4)N)nc3C)nc(c2)C
+FC(F)(F)c1ccc(cc1)-c2nc(C(CCCC)Oc3c(C)cc(cc3C)C=CC(O)=O)ccc2
+FC(F)(F)c1ccc(cc1)-c2nc(C(Oc3cc(C)c(cc3)OCC(=O)OCC)CC(C)C)ccc2
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(COc3cc4n(CC(=O)O)cc(Cl)c4cc3)s2
+FC(F)(F)c1ccc(cc1)-c2nc(CCOS(=O)(=O)C)oc2Br
+FC(F)(F)c1ccc(cc1)-c2nc(COC)c(cc2)CO
+FC(F)(F)c1ccc(cc1)-c2nc(c(C)s2)CCOc3ccc(cc3)C(NN)=O
+FC(F)(F)c1ccc(cc1)-c2nc3C(CN(S(=O)(=O)c4ccc(c(C)c4)OCC(=O)O)c3cc2)C(C)C
+FC(F)(F)c1ccc(cc1)-c2ncc(c(C3CC3)n2)COc4ccc5c(ccn5CC(=O)OCC)c4
+FC(F)(F)c1ccc(cc1)-c2nn(c3c2CN(CC3)S(=O)(=O)C)CCCN4CCN(CC4)c5c(cccc5Cl)N
+FC(F)(F)c1ccc(cc1)-c2noc(C(NC3CC(O)CCC3)=O)c2
+FC(F)(F)c1ccc(cc1)-c2noc(CO)c2
+FC(F)(F)c1ccc(cc1)-c2oc(-c3ccc(cc3)C#N)c(C(O)=O)n2
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(CCOc3ccc4c(c3)ccn4CC(O)=O)n2
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)COc3ccc4n(CC(=O)NS(=O)(=O)C)ccc4c3
+FC(F)(F)c1ccc(cc1)-c2oc(c(n2)-c3ccc(cc3)-c4ccc(cc4)CN5OC(=O)NC5=O)C
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(C(NO)=N)c(F)c3)c(CCCOCc4ccccc4)n2
+FC(F)(F)c1ccc(cc1)-c2sc(c(C)n2)CCOc3ccc4c(n(cc4CCC)CC(O)=O)c3
+FC(F)(F)c1ccc(cc1)-c2sc3c(CCN(C3)S(=O)(=O)c4cc(ccc4C)CC(=O)O)n2
+FC(F)(F)c1ccc(cc1)-n2cc(cc2)CN3CCC(CC3)NC(CSc4cccc(Cl)c4)=O
+FC(F)(F)c1ccc(cc1)C#CCCCOc2ccc3ccn(CC(O)=O)c3c2
+FC(F)(F)c1ccc(cc1)C#Cc2c(c(c(N)nc2)C#N)C
+FC(F)(F)c1ccc(cc1)C(=O)C2C(N(C(C)=O)c3c2cc(cc3)[N+](=O)[O-])=O
+FC(F)(F)c1ccc(cc1)C(=O)NCCCOc2c(Cl)cc(cc2Cl)O
+FC(F)(F)c1ccc(cc1)C(=O)NCc2cccc(-c3c(-c4ccncc4)cn[nH]3)c2
+FC(F)(F)c1ccc(cc1)C(O)C(Cc2ccc(cc2)F)NC(c3c4c(cccc4)c(F)cc3)=O
+FC(F)(F)c1ccc(cc1)C2CC(CN(C(N3CCC(CC3)O)=O)C2)NC(c4ccccc4)=O
+FC(F)(F)c1ccc(cc1)C2CCN(CC2)c3nc4ccc(C(O)=O)cc4nc3-c5ccc(cc5)F
+FC(F)(F)c1ccc(cc1)C2N(C(=O)N(C)c3ccccc3)CCc4c2cccc4
+FC(F)(F)c1ccc(cc1)C2N(C(=O)NC(C)(C)C)CCc3c2cccc3OC
+FC(F)(F)c1ccc(cc1)C2c3c(cccc3)CCN2C(=O)Oc4ccccc4
+FC(F)(F)c1ccc(cc1)C=2c3c(C(N(c4ccc(c(c4)OC)CO)C=2)=O)ccc(OC)c3
+FC(F)(F)c1ccc(cc1)C=2c3cc(OC)ccc3C(N(c4ccc(cc4)OC)C=2)=O
+FC(F)(F)c1ccc(cc1)C=Cc2nc(COc3ccc(cc3)CCCCn4c(ncc4)CC(O)CO)co2
+FC(F)(F)c1ccc(cc1)C=Cc2nc(COc3ccc(cc3)CCCn4ccnn4)co2
+FC(F)(F)c1ccc(cc1)CC(=O)C(OCC)OCC
+FC(F)(F)c1ccc(cc1)CC(NC(c2c3c(cccc3)c(F)cc2)=O)C(O)c4ccccc4
+FC(F)(F)c1ccc(cc1)CCC2N(CCN(C2)C3=Nc4ccccc4Nc5sc(C)cc35)C
+FC(F)(F)c1ccc(cc1)CCC2NCCc3nc(c(OC)cc23)OC
+FC(F)(F)c1ccc(cc1)CCCC2CCN(CC2)c3ccc(cc3)OC4OCCCC4
+FC(F)(F)c1ccc(cc1)CCNc2cccc(c2)OC(C)(C)C(=O)O
+FC(F)(F)c1ccc(cc1)CCc2c(-n3ncc(I)c3)cnn2C
+FC(F)(F)c1ccc(cc1)CCc2c(C#N)cnn2C
+FC(F)(F)c1ccc(cc1)CN(C(=O)COc2ccc(cc2)CCSc3ccccc3C(=O)O)CC
+FC(F)(F)c1ccc(cc1)CN(C)c2cc(C)c(c(C)c2)NC(CC3CCCC3)=O
+FC(F)(F)c1ccc(cc1)CN(C2CCCCC2C(N)=O)S(=O)(=O)c3ccc(cc3)Cl
+FC(F)(F)c1ccc(cc1)CN2CCC3(CC3)CC2(C)C(NC(c4ccc(cc4)C(O)=O)C)=O
+FC(F)(F)c1ccc(cc1)CN2n3cc(-c4ccccc4)cc3C(=C(C2=O)C(=O)NCC(=O)O)O
+FC(F)(F)c1ccc(cc1)CNC(=O)c2cc3c(cc(cc3)OC)nc2-c4ccsc4
+FC(F)(F)c1ccc(cc1)CNC(c2c(ccc(CC(O)=O)c2)OC)=O
+FC(F)(F)c1ccc(cc1)CNC(c2cc(C(=O)C)ccc2OC)=O
+FC(F)(F)c1ccc(cc1)CNc2ccc(C)c(c2C)NC(=O)CC(C)(C)C
+FC(F)(F)c1ccc(cc1)CON=C(CC)c2ccc(cc2)OCC(NCC3CCOCC3)=O
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(OCC(NCC(O)=O)=O)cc3)C
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(OCC(NO)=O)cc3)C
+FC(F)(F)c1ccc(cc1)CON=C(Cc2ccccc2)c3cc(c(cc3)OCC(N4CCOCC4)=O)C
+FC(F)(F)c1ccc(cc1)CON=C(c2cnc(OCC#N)cc2)C
+FC(F)(F)c1ccc(cc1)COc2cc(CC(O)=O)ccc2
+FC(F)(F)c1ccc(cc1)Cc2c(C(NC3(CC3)c4ccc(cc4)-c5nnn[nH]5)=O)c(sc2C)C
+FC(F)(F)c1ccc(cc1)Cn2cc(-c3sc(C(NCc4ccccc4)=O)c(n3)C)nn2
+FC(F)(F)c1ccc(cc1)Cn2cc(-c3sc(C(NCc4cnccc4)=O)c(n3)C)nn2
+FC(F)(F)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)COCC(O)=O
+FC(F)(F)c1ccc(cc1)NC(=O)Nc2cc(ccc2)-c3nc(nc4c3c(N)c(C(N)=O)s4)NC5CC5
+FC(F)(F)c1ccc(cc1)NC2c3c(cc(NC(=O)CCC4CCCC4)c(c3)N)CC2
+FC(F)(F)c1ccc(cc1)Nc2c3c(ncn2)n(-c4ccccc4Cl)cn3
+FC(F)(F)c1ccc(cc1)Nc2nc(-n3nc(cc3C)C)nc4n(cnc24)C
+FC(F)(F)c1ccc(cc1)Nc2nc(CCc3cc4c([nH]nc4)cc3)ncn2
+FC(F)(F)c1ccc(cc1)Nc2nc(N)nc(c2)-c3cc(Br)ccc3C
+FC(F)(F)c1ccc(cc1)OC(OC2CCN(C)C(=O)N2c3nnc(C(C)(C)C)s3)=O
+FC(F)(F)c1ccc(cc1)OCC2CNC(CC2)C
+FC(F)(F)c1ccc(cc1)OCCOc2ccc(cc2)C(CC(O)=O)c3ccon3
+FC(F)(F)c1ccc(cc1)Oc2cc(C)c(c(C)c2)-c3nc(sc3)N
+FC(F)(F)c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)n3cc(c4c3ccc(-c5ccccc5)c4)CCC(=O)OC
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(C2CCC(CC2)OCCCC(C)N(C)C)C
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(CC2CCC(CC2)CCCCCN(CC=C)C)C
+FC(F)(F)c1ccc(cc1)S(=O)(=O)NC2CCC(CC2)CCCCCN(CC)CCO
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2c(C(Nc3c(C)c(N4CCOCC4)c(C)cc3C)=O)scc2
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2c(cc(OC)c(C(CCCCN3CCC4(CC3)NC(NC4=O)=O)=O)c2)OC
+FC(F)(F)c1ccc(cc1)S(=O)(=O)n2nc(nc2N)Nc3cc(Cl)c(c(c3)Cl)C#N
+FC(F)(F)c1ccc(cc1C(N2CCN(CC2)c3ccc4nc(C(=O)NCCCC5CC5)cn4n3)=O)F
+FC(F)(F)c1ccc(cc1F)CC(=O)Nc2c(C)ccc3c2C=CN(C(CN4CC(C4)O)C)C3=O
+FC(F)(F)c1ccc(cc1F)CN(C2C(CNC2)c3cc(c(cc3)Cl)F)C
+FC(F)(F)c1ccc(cc1Nc2c(-c3ccncn3)cccn2)C(=O)O
+FC(F)(F)c1ccc(cn1)-c2nc3c(ncnc3NC4CN(CC4)C(CC)=O)n2C
+FC(F)(F)c1ccc(cn1)Oc2ccc(cc2)CCOc3ncc(c(n3)O)Cc4cnc(nc4)OC
+FC(F)(F)c1ccc(nc1)-c2ccc(cc2)C(CCCC)Oc3ccc(cc3)C(=O)NCCC(O)=O
+FC(F)(F)c1ccc(nc1)C#Cc2cnc(cc2)N3CCN(CC3)S(=O)(=O)C
+FC(F)(F)c1ccc(nc1)COC2=CC(=O)N(C=C2)c3cc4c(cc3)c5CN(C(OC(C)(C)C)=O)CCc5n4C
+FC(F)(F)c1ccc(nc1)NCC2C(CCCN2C(c3c(-n4nccn4)ccc(F)c3C)=O)C
+FC(F)(F)c1ccc(nc1)Nc2cccc(C=C3CCC(CC3)NC(c4cccnc4)=O)c2
+FC(F)(F)c1ccc(nc1)Oc2cc(cc(C=C3CCC(CC3)N)c2)C
+FC(F)(F)c1ccc(nc1)Oc2ccc(cc2)OC(C)C=NO
+FC(F)(F)c1ccc(nc1-c2ccc(cc2)OC)NCCCOc3ccc4C(CC(O)=O)CCc4c3
+FC(F)(F)c1ccc(o1)CN2C(=O)C3(COc4ccc(nc34)OC)c5c2cccc5-c6ccoc6
+FC(F)(F)c1ccc2N(C(=O)N(c2c1)Cc3ccc(c(OC)c3)OC)C4CCC(CC4)O
+FC(F)(F)c1ccc2N(C(=O)OCC)C(CC)CN(c2c1)C(c3nn(C)nn3)c4cc(Cl)c(cc4)Cl
+FC(F)(F)c1ccc2N=C(c3cc(ccc3)-c4c(cc(nc4)C5CC5)C)CC(=O)Nc2c1
+FC(F)(F)c1ccc2c(c1)-c3ccc4c(nccc4OC)c3NS2(=O)=O
+FC(F)(F)c1ccc2c(nc(-c3c(SCC)cc(cc3)Cl)nc2NCC)c1
+FC(F)(F)c1ccc2c(nc(-c3ccccc3SCC)nc2c1)N
+FC(F)(F)c1ccc2cc(c(nc2n1)C)C(=O)O
+FC(F)(F)c1cccc(-c2c(C)cc3c(c2Oc4ccc(cc4)C=O)ccc(OC)c3)c1
+FC(F)(F)c1cccc(-c2c3nc(NC(C)=O)nn3cc(Br)c2C)c1
+FC(F)(F)c1cccc(-c2cnn3c(nnc3n2)C)c1
+FC(F)(F)c1cccc(-c2csc(Cc3ccc(cc3)C(=O)O)n2)c1F
+FC(F)(F)c1cccc(-c2nc3ccc(S(=O)(=O)C)cc3c(C(O)=O)c2CN4CCC(CC4)N5CCCCC5)c1
+FC(F)(F)c1cccc(-c2nnc3CC(CC(OC(N4CCC(CC4)N5CCCCC5)=O)c3c2)C)c1
+FC(F)(F)c1cccc(-c2sc3nccc(C(Nc4sccn4)=O)c3n2)c1
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+FC(F)(F)c1cccc(C(=O)Nc2cc(c(c(c2F)C(=O)c3cc4c(cc3)ncc(N5CCOCC5)n4)F)F)c1
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+FC(F)(F)c1cccc(C(Nc2cc(N3C(c4c(nc(nc4)SC)N(C3=O)C)=O)c(cc2)C)=O)c1
+FC(F)(F)c1cccc(C2(CC2)NC(=O)c3c4OC(C)(C)Cc4c5c(nc(Nc6c(cccc6C)Cl)[nH]5)c3)c1
+FC(F)(F)c1cccc(C2=CC(c3cccc(c3O2)C(Nc4cnccc4)=O)=O)c1
+FC(F)(F)c1cccc(CNC(Nc2c(ccc(c2)Oc3ccc4nc(sc4n3)NC(C5CC5)=O)F)=O)c1
+FC(F)(F)c1cccc(CNC(c2cc(-c3c(ccc(c3)N(CCC)CCC)N)ncc2)=O)c1
+FC(F)(F)c1cccc(Cc2c(N3C(=O)c4c(C3=O)cccc4)nn5C(=O)CC(=O)Nc25)c1C
+FC(F)(F)c1cccc(F)c1C(=N)NOCC2CC2
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+FC(F)(F)c1cccc(N2CC(CC2)OCC#C)c1CN3CCNCC3
+FC(F)(F)c1cccc(N2N=C(N)C(C(=C2)OC)=O)c1
+FC(F)(F)c1cccc(NC(=O)C2CCN(CC2)c3nsnc3OCc4ccncc4)c1
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+FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)Oc3c4n(ccc4ncn3)C)c1
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+FC(F)(F)c1cccc(NC(Nc2ccc(cc2)-c3c4c(nn(C)c4cnc3)N)=O)c1
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+FC(F)(F)c1cccc(Oc2c(cc(COC=3C=C4N(C)CCN4C(N=3)=O)cc2)C#N)c1
+FC(F)(F)c1cccc(Oc2cc(-c3c(N)ccc(N4CCCCC4)c3)ncn2)c1
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+FC(F)(F)c1cccc(c1)-c2c3OC(Cc3ccc2)CNC(OCc4ccccc4)=O
+FC(F)(F)c1cccc(c1)-c2ccc(C(NC(C(NCCNc3ccc(cc3)OC(F)F)=O)CC4CCCCC4)=O)o2
+FC(F)(F)c1cccc(c1)-c2cccc(C(C(=O)OCC)C)n2
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+FC(F)(F)c1cccc(c1)CNC(CN2N=C(N(CC(C)C)C2=O)c3c(c(cs3)C)Cl)=O
+FC(F)(F)c1cccc(c1)N2C(=O)N(C(OCC)=O)C(c3n(-c4ccc(cc4)C#N)ncc3)=C2C
+FC(F)(F)c1cccc(c1)N2C3=C(C(CC3)=O)C(c4c(S(=O)C)cc(C#N)cc4)N(C2=O)C
+FC(F)(F)c1cccc(c1)N2C=3CCC(C)(C)C(C=3C(c4ccc(cc4)C#N)NC2=O)=O
+FC(F)(F)c1cccc(c1)N2CCN(CC2)CCN3C(=Nc4ccccc4C3=O)CC
+FC(F)(F)c1cccc(c1)NC(c2cc(sc2C)S(=O)(=O)Cl)=O
+FC(F)(F)c1cccc(c1)Nc2nc(-c3ccnc(C(=O)O)c3)ccn2
+FC(F)(F)c1cccc(c1)OCC(CCC2C(OC3OCCCC3)CC4OC(CC24)O)F
+FC(F)(F)c1cccc(c1)Oc2cc(ccc2CO)Cl
+FC(F)(F)c1cccc(c1-c2[nH]c3cc(C(=O)Nc4nc5c(cc4)cccc5)ccc3n2)Cl
+FC(F)(F)c1cccc(c1C)Cc2c3nc(cc(NC(C)=O)n3nc2C)N4CCOCC4
+FC(F)(F)c1cccc2C(N(C(CC(C)C)C(Nc3nccnc3)=O)Cc12)=O
+FC(F)(F)c1cccc2C(N(Cc12)C(C(Nc3ncc(C(CO)O)nc3)=O)CC4CCCC4)=O
+FC(F)(F)c1cccc2C(N(Cc12)C(C(Nc3ncc(nc3)Br)=O)CC4CCCC4)=O
+FC(F)(F)c1cccc2c(-c3cc(Oc4cc(S(=O)(=O)CCCNS(=O)(=O)C)ccc4)ccc3F)ncnc12
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(S(=O)(=O)CCCC#N)c4)ccc3F)ncnc12
+FC(F)(F)c1cccc2c(-c3cc(Oc4cccc(c4)S(=O)(=O)CCCC(N)=O)ccc3Cl)nc(C)nc12
+FC(F)(F)c1cccc2c(n(nc12)-c3ccccc3)N4CCCCC4
+FC(F)(F)c1cccc2c1CN(C(C(=O)Nc3ncc(C(CO)O)nc3)CCSC)C2=O
+FC(F)(F)c1cccc2c1nccc2OCCCCCOC=3C(=O)C=C(CN4CCOCC4)OC=3
+FC(F)(F)c1ccccc1-c2c(cc(cc2)C(=O)O)OCC
+FC(F)(F)c1ccccc1-c2cc(c(c(N3CCN(CC3)C)n2)[N+](=O)[O-])NC(=O)c4n(nc(C(C)(C)C)c4Cl)C
+FC(F)(F)c1ccccc1-c2cc3c(c(c2)Cl)[nH]c(C4=NOC5(CCCCC5)C4)n3
+FC(F)(F)c1ccccc1-c2nc3c(cccc3C)cc2CNc4ncnc5nc[nH]c45
+FC(F)(F)c1ccccc1C(=O)N2CCN(CC2)c3ccc4nc(cn4n3)CCCCC
+FC(F)(F)c1ccccc1C(=O)Nc2c(cn(n2)-c3c(cccc3)Cl)Cl
+FC(F)(F)c1ccccc1C(NCC2(CC2)c3ncc(cn3)C)=O
+FC(F)(F)c1ccccc1C2CCN(CC2)C(=O)c3c4CN(C(=O)C)Cc4[nH]n3
+FC(F)(F)c1ccccc1C2CCN(CC2)C(=O)c3c4CN(C)CCCc4[nH]n3
+FC(F)(F)c1ccccc1C2CCN(CC2)C(c3ccc(nn3)Cl)=O
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(=O)c4cc(n(C)c4Cl)-c5c(cnn5C)Cl
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)NC(=O)c4scc(c4)-c5n(C)ncc5C6CC6
+FC(F)(F)c1ccccc1CC(NC(=O)c2sc(c(-c3c(cnn3C)F)c2)Cl)CN4C(c5ccccc5C4=O)=O
+FC(F)(F)c1ccccc1CC(NC(c2sc(C)c(-c3c(CC)cnn3C)c2)=O)CN4C(c5ccccc5C4=O)=O
+FC(F)(F)c1ccccc1CNC(=O)C2CCN(CC2)c3nc(nc(N4CCN(CC4)C)n3)OC
+FC(F)(F)c1ccccc1COC2CN(C2)c3sc(cn3)C(=O)N
+FC(F)(F)c1ccccc1NC2CCN(CC2)C(=O)CNC(c3ccc(cc3)Nc4ccccc4)=O
+FC(F)(F)c1ccccc1OC2CCN(c3ccc(nn3)C(=O)NN)C2
+FC(F)(F)c1ccccc1Sc2ccc(cc2)-c3c(c(cc4ccc(cc34)F)CC(OC)=O)C
+FC(F)(F)c1cccnc1N2CCN(CC2)c3nc(N(CC)CC)nc(-c4ccc(F)c(Cl)c4)c3
+FC(F)(F)c1ccn(n1)-c2nc3c(c(c2)O)ccc(c3Cl)OC
+FC(F)(F)c1ccn2cc(CC3CCCCN3C(c4nc(C)sc4-c5ccc(cc5)F)=O)nc2c1
+FC(F)(F)c1ccnc(CNC(=O)c2nnn(CC(CCc3sc(NC(=O)Cc4ccccn4)nn3)F)c2)c1
+FC(F)(F)c1ccnc(NC(Nc2ccc(cc2)-c3c(c(n4c3c(ncn4)N)CN5CCOCC5)CC)=O)c1
+FC(F)(F)c1ccnc(Nc2cc(-c3cnc(cc3)CCC(=O)OCC)cc(C)c2)n1
+FC(F)(F)c1ccnc(Nc2cc(cc(C)c2)-c3sc(nc3)C4(CCC(CC4)=O)C(N)=O)n1
+FC(F)(F)c1ccnc(OCC2N(CC(CC2)C)C(c3nc(ccc3-c4ncccn4)C)=O)c1
+FC(F)(F)c1ccnc(n1)Nc2cc(cc(-c3scnc3)c2)C4CC4
+FC(F)(F)c1ccnn2cc(Cc3ccccc3)nc12
+FC(F)(F)c1cn(CC2CCN(CC2)S(=O)(=O)C)c3c1c(ncn3)Cl
+FC(F)(F)c1cn(nn1)-c2ccc(C)cc2-c3cc(O)ncn3
+FC(F)(F)c1cn2nc(c(-c3ccnc(NC4CCCC4)n3)c2cc1)-c5ccc(cc5)F
+FC(F)(F)c1cnc(-c2ccc(cc2)CC(c3n(C)c4ccc(cc4c3SC(C)(C)C)OC)C(OCC)=O)cc1
+FC(F)(F)c1cnc(-n2cc(CCCOc3c(cccc3CC(O)=O)C#N)c(CCC)n2)cc1
+FC(F)(F)c1cnc(-n2nc(c(c2)CCCOc3n(ncc3CC)CC(O)=O)C(C)C)cc1
+FC(F)(F)c1cnc(C(C)=O)cc1
+FC(F)(F)c1cnc(NC)c(Br)c1
+FC(F)(F)c1cnc(Nc2c(OC)cc(C(=O)N3CCOCC3)c(C)c2)nc1NC
+FC(F)(F)c1cnc(Nc2cn(nc2)C3CCN(CC3)C(C)=O)nc1CCc4c(C(C(=O)N)C)cccc4
+FC(F)(F)c1cnc(Oc2c(ccc(OCCOC)c2)CCCOC(=O)NS(=O)(=O)NCCc3ccccn3)c(Cl)c1
+FC(F)(F)c1cnc(SC)nc1C#Cc2ccccc2CC(OC)=O
+FC(F)(F)c1cnc([nH]1)-c2ncc(-c3cnc(cc3C)OCC4(CCC4)C(O)=O)cc2Cl
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(ccc(OC(C)C)c2)C=C(C)C(NS(=O)(=O)NC3CCC(CC3)C)=O
+FC(F)(F)c1cnc(c(Cl)c1)Oc2c(ccc(OCC(N(CC)CC)=O)c2)CCC(NS(=O)(=O)CCC(C)C)=O
+FC(F)(F)c1cnc(c(c1)F)N2CCN(CC2)C(c3cc(ccc3SC)S(=O)(=O)C)=O
+FC(F)(F)c1cnc(c(c1)NC(=O)c2ccncc2Cl)O
+FC(F)(F)c1cnc(cc1)NCC2N(CC(CC2)C)C(c3cccc(c3OC)F)=O
+FC(F)(F)c1cnc(cc1)OCCCON=C(C)COc2c(cc(cc2Cl)OCC=C(Cl)Cl)Cl
+FC(F)(F)c1cnc(cn1)NCC2N(CC3CC3C2)C(c4nc(ccc4-n5cccn5)C)=O
+FC(F)(F)c1cnc(nc1)NCC2C(CCCN2C(c3cc(F)ccc3-n4nccn4)=O)C
+FC(F)(F)c1cnc(nc1)NCC2N(CCCC2C)C(c3c(-n4nccn4)c(ccc3)F)=O
+FC(F)(F)c1cnc(nc1CCc2ccc(F)cc2CC(=O)N)Nc3ccc(cc3)C4CCN(CC4)C
+FC(F)(F)c1cnc(nc1Nc2c3C(=O)N(C)C(C)(C)c3ccc2)Nc4ccc(CP(OCC)(OCC)=O)cc4OC
+FC(F)(F)c1cnc2c(O)ncnc2c1
+FC(F)(F)c1cnc2c(c(NC(c3nccnc3)=O)c[nH]2)c1N4CC(NC(=O)OC(C)(C)C)CCC4
+FC(F)(F)c1cnn2c(ncc2-c3cccc(c3)-c4cnccc4)n1
+FC(F)(F)c1csc(-c2c(-c3cncc(C(=O)NNC(CCl)=O)c3)cnc(NC(=O)NCC)c2)n1
+FC(F)(F)c1csc(-c2cc(NC(=O)NCC)ncc2-c3ccc4c(c3)N(CC)C=C(C4=O)C(=O)O)n1
+FC(F)(F)c1n(c2c(c(C(O)=O)cc(N3CCOCC3)c2)n1)Cc4c(c(Cl)ccc4)Cl
+FC(F)(F)c1n(nc(-c2c(cc(c(c2)N(C)CCC)N)F)c1Cl)C
+FC(F)(F)c1n(nc(c1Cl)-c2c(cc3OCC(=O)Nc3c2)F)C
+FC(F)(F)c1n(nnn1)-c2c(cc(cc2)OC)Br
+FC(F)(F)c1n2CCC(c3nc(-c4ccc(cc4)C(=O)Nc5cc(ccn5)C(F)(F)F)c6n3ccnc6N)Cc2nn1
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1)c(C(N4CCN(CC4)C(c5ccccc5)CC)=O)cn2
+FC(F)(F)c1n2c(nc(-c3ccc(cc3)OC)c1C)c(C(=O)N4CCN(CC4C)C(C)c5cc(C#N)ccc5)cn2
+FC(F)(F)c1nc(-c2cc(ccc2)C)c(cc1)CNC(=O)C(C)c3ccc(c(Cl)c3)CNS(=O)(=O)C
+FC(F)(F)c1nc(-c2ccc(c(Cl)c2)C)n(-c3ccc(cc3)S(=O)(=O)N)c1
+FC(F)(F)c1nc(-c2ccc(cc2)CC(O)=O)no1
+FC(F)(F)c1nc(-c2cccc(C(=O)N3CC(C)(C)N(CC3)c4ccc(C#N)cn4)c2)no1
+FC(F)(F)c1nc(N2CC3C(C(CC3)OS(=O)(=O)c4ccc(cc4)Br)C2)ccc1
+FC(F)(F)c1nc(NC(Nc2c3cc(ccc3ncc2)C=4CCN(CC=4)C)=O)ccc1
+FC(F)(F)c1nc(NCCOC)c(cc1)C=CC(NCc2cc(c(NS(=O)(=O)C)c(c2)C#C)F)=O
+FC(F)(F)c1nc(Nc2cc(cc(c2)-c3sc(nc3)C4(CCC4)O)-c5[nH]nnn5)ncc1
+FC(F)(F)c1nc(O)c(CN2N=C3N(C=CC(c4ccc(cc4)Cl)=C3c5ccncc5)C2=O)cc1
+FC(F)(F)c1nc(c(-c2ccc(cc2)F)nc1)O
+FC(F)(F)c1nc(c(CCNC(=O)c2ccc(cc2)Oc3cc4c(cc3Cl)C(C(=O)O)CCO4)cc1)C5CC5
+FC(F)(F)c1nc(c(CN2C(=O)N3C=CC(c4ccc(cc4)Cl)=C(c5ccncc5)C3=N2)cc1)COC
+FC(F)(F)c1nc(c(CNC(=O)C(C)c2cc(c(CNS(=O)(=O)C)cc2)C)cc1)N3CCCC3
+FC(F)(F)c1nc(c(CNC(=O)C(c2cnc(cc2)C(=O)N)C)cc1)N3CCC(CC3)C
+FC(F)(F)c1nc(c(cc1)-c2nccc(c2)CNC(=O)C3CC(F)CN3S(=O)(=O)c4ccc(cc4)F)NC
+FC(F)(F)c1nc(c2c(n1)cccc2)NN=C(c3ccc(cc3)C)C
+FC(F)(F)c1nc(cs1)-c2c(cccc2)OCCNCCO
+FC(F)(F)c1nc(n(-c2ccc(cc2)S(=O)(=O)C)c1)-c3ccc(cc3)C
+FC(F)(F)c1nc(nc(C2=NOC(N2C(N3CCCC3)=O)=O)c1)C(C)C
+FC(F)(F)c1nc(no1)-c2cccc(C(=O)N(C)CC3(CCOCC3)c4scc(-c5ccccc5)n4)c2
+FC(F)(F)c1nc(sc1)C(NC(=O)OCc2ccccc2)C
+FC(F)(F)c1nc(sc1)N2CCN(CC2)C(c3c(ccc(S(=O)(=O)C)c3)OC4CCCC4)=O
+FC(F)(F)c1nc2CN(C(c3c(ccc(Cc4c5c(c(O)nn4)cccc5)c3)F)=O)CCn2c1
+FC(F)(F)c1nc2c(c(Br)ccc2OC)[nH]1
+FC(F)(F)c1nc2c(nc(Cl)nc2Cl)n1C
+FC(F)(F)c1nc2c(nc1-c3c(Cl)cc(C(=O)O)cc3)ccc(c2)O
+FC(F)(F)c1nc2ccccc2c(c1)C(NC(c3ccccc3)C(C)(C)N4CCCC4C)=O
+FC(F)(F)c1nc2n(c1C)nc(C#Cc3nn(C)c(N4CCCC4)n3)cc2
+FC(F)(F)c1nc2n(c1CC3CCC(CC3)(F)F)c(cc(C(=O)NCC(C)(C)O)c2)Cl
+FC(F)(F)c1nc2nccc(-c3cc(F)cc(-c4ccccc4C#N)c3)c2cc1
+FC(F)(F)c1ncc(c(N)c1)I
+FC(F)(F)c1ncc(cc1)-c2cc(ncn2)CNC(CN(S(=O)(=O)c3ccc(cc3)F)C(C)C)=O
+FC(F)(F)c1ncc(cc1)-c2nc(c(COc3ccc(OC(C)(C)C(O)=O)c(C)c3)cn2)CCOC
+FC(F)(F)c1ncc(cn1)N2CCC(CC2)CC3CCN(CC3)C(C)C
+FC(F)(F)c1ncc(cn1)Oc2c(F)cc(cc2F)CCOc3nc(c(Cc4cncnc4)cn3)O
+FC(F)(F)c1ncc(cn1)Oc2ccc(cc2)CCO
+FC(F)(F)c1nccc(C2(c3cccc(O)c3)NC(=N)c4c2cc(Cl)cc4F)c1
+FC(F)(F)c1nccc(N)c1C(NC(C)Cc2ccc(c(c2)F)F)=O
+FC(F)(F)c1nccnc1C(=O)NCC2(CC2)c3c(Cl)cc(Br)cn3
+FC(F)(F)c1nn(-c2cc(c(cc2)F)F)c(c1)CNC(Nc3cc(c(N4CC(C4)O)cc3)F)=O
+FC(F)(F)c1nn(-c2ccc(cc2)C(N3CCC3)=O)c4CN(CCc14)C
+FC(F)(F)c1nn(-c2ccc(cc2)CC(=O)N3CCCC3)c4c1CCCC4
+FC(F)(F)c1nn(-c2ccc(cc2)F)c(-c3cc(F)c(c(F)c3)SC)c1
+FC(F)(F)c1nn(-c2ccccc2)cc1C(=O)NCCNC(=O)C3CCC(CC3)c4[nH]cc(-c5ccccc5)n4
+FC(F)(F)c1nn(-c2nc(Cl)c(cc2)C)cc1
+FC(F)(F)c1nn(C(C)C)c(OC(F)F)c1CBr
+FC(F)(F)c1nn(C)c(C)c1Cl
+FC(F)(F)c1nn(CC(=O)Nc2c(c3c(CCCC3)s2)C(=O)N)cc1CCNC
+FC(F)(F)c1nn(CC(=O)Nc2c(nn3CCCC(c23)=O)C(=O)N)c4CCCCc14
+FC(F)(F)c1nn(CC(Nc2c(c3c(CCCC3)s2)C(=O)N)=O)cc1C=O
+FC(F)(F)c1nn(c(-c2cc(c(cc2)-c3occc3)C)c1)-c4ccc(cc4)S(=O)(=O)N
+FC(F)(F)c1nn(c(c1)-c2ccc(cc2)-c3cocc3)-c4ccc(S(=O)(=O)C)c(F)c4
+FC(F)(F)c1nn(c(c1)C(=O)Nc2ccc(cc2)-c3ccc(cc3)NC(C)=O)-c4c(Cl)cccc4
+FC(F)(F)c1nn(c(c1)CNC(=O)Nc2cc(F)c(CO)cc2)-c3c(OC)c(Cl)ccc3
+FC(F)(F)c1nn(c2c1C(CC(C)(C)C2)=O)-c3ccc(C(N)=O)c(NC4CCC(CC4)N)c3
+FC(F)(F)c1nn2c(COC)ccc(C(CC)=O)c2c1
+FC(F)(F)c1nnc(cc1)N(C2CCN(CC2)Cc3cc(c(F)cc3)F)C
+FC(F)(F)c1nnc(cc1)NC2CCN(CC2)Cc3ccc(cc3)F
+FC(F)(F)c1nnc2ccc(nn12)N3CCC(CC3)(c4ccc(cc4)OCCN5CCN(C(=O)C5)C)O
+FC(F)(F)c1nnc2n1N=C(N3CCC(CC3)c4ccc(cc4)OCC(N5CCN(CC5)C(=O)C)C)CC2
+FC(F)(F)c1oc(CN2C(C(c3c2cccc3)c4c(cc5c(OCO5)c4)OCc6ccccc6)=O)cc1
+FC(F)(F)c1oc(CN2c3c(cc(C)cc3)C4(C2=O)COc5cc6c(cc45)OCO6)cc1
+FC(F)(F)c1oc(CN2c3ccccc3C4(COc5c4nc(O)cc5)C2=O)cc1
+FC(F)(F)c1oc(CN2c3ccccc3C4(c5c(OC4)cc6c(OCO6)n5)C2=O)cc1
+FC(F)(F)c1oc(cc1)COc2ccc(Br)cc2CC3CNC3
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+FC(F)(F)c1onc(-c2ccc(C(=O)NCC3(CCOCC3)c4nc(cs4)-c5ccccc5)s2)n1
+FC(F)(F)c1onc(-c2cncc(c2)C(NCCc3nc(-c4ccc(cc4)C#N)oc3)=O)n1
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+FC(F)(c1cc(-n2cnc(CO)c2)ccc1F)C
+FC(F)(c1ccc(F)cn1)c2nc(Nc3cc(n[nH]3)C)c4c(n2)cc(cc4)OC
+FC(F)(c1nc(Nc2[nH]nc(c2)C)c3c(ccs3)n1)c4ccc(cc4)F
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+FC(F)(c1ncc(Cl)cc1Cl)CN
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+FC(F)C1COC(CN1C(=O)c2cc3c(c(c2)OC)oc(NCc4nccc(Cl)c4)n3)(CCO)C
+FC(F)CCOc1c(ccc(C#Cc2ccc(c(C)c2)OC(F)F)c1)F
+FC(F)COc1cc(c(C(O)=O)nc1)Cl
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+FC(F)N1C(N(N=C1C)c2c(cc(OCc3cccc(OC(C)C(OC)=O)c3)cc2)F)=O
+FC(F)OCC(C(=O)NCc1ccc(c(F)c1)F)N
+FC(F)OCC(C(=O)NCc1ccccc1)NC(=O)C
+FC(F)OCCCc1cc(cc(Br)c1C)C=O
+FC(F)Oc1c(-c2nn(cc2NC(=O)c3c4n(cccn4)nc3)CCC#N)cc(Cl)cc1
+FC(F)Oc1c(CC(=O)O)c(C)cc(C)c1
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+FC(F)Oc1c(OC)cc(cc1)-c2n[n+]([O-])c(cc2)N
+FC(F)Oc1c(c(-c2ccc(Cl)c(c2)CO)nn1C)Cl
+FC(F)Oc1c(c(OCC(=O)NCCC)c(-c2cc3c(cc2)C(=O)NC3)cc1)OC
+FC(F)Oc1c(c(nc2c(F)ccc(c12)OCC(=O)OC)CC)Cc3ccc(cc3)-n4nccc4C5CC5
+FC(F)Oc1c(c(nn1C)-c2ccc(c(c2)COC)Cl)Cl
+FC(F)Oc1c(cc(F)c(c1)N2NC3=C(CCCC3)C2=O)Cl
+FC(F)Oc1c(cc(cc1)CNc2n[nH]c(Nc3cccc(Cl)c3)c2C#N)O
+FC(F)Oc1c(cccc1)N2N=C(c3ccnn3-c4ccccc4)C(=O)C(OC)=C2
+FC(F)Oc1cc(-c2nc(nc(c2)C3CCN(CC3)C4COC4)C5CC5)cnc1N
+FC(F)Oc1cc2n3c(nnc2c(OC)c1)c(C)nc3-c4cncc(OC)c4
+FC(F)Oc1ccc(cc1-c2nn(cc2NC(=O)c3c4n(cccn4)nc3)CCNCc5cccnc5)Cl
+FC(F)Oc1ccc2c(c1)c(nn2CCCN(C)C)I
+FC(F)Oc1n(nc(-n2c(c(C#N)cn2)C)c1Cl)C
+FC(F)Oc1n(nc(c1Cl)-n2c(c(cn2)C#N)Br)C
+FC(F)Oc1ncc(C=CC(O)CCCCc2nc3c(CCCN3)cc2)cc1
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+FC(F)c1cc(ccc1)N2C=3CCC(C=3C(N(C2=O)C)c4ccc(cc4)C#N)=O
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+FC1(F)C(N(c2c(nc(nc2)Nc3ccc(cc3)C(NC4CCNCC4)=O)N(C1)C5CCC5)C)=O
+FC1(F)CC(C1)c2onc(-c3cc(NC(c4n5cc(ccc5nc4)CCC(C)(C)O)=O)c(cc3)C)n2
+FC1(F)CC(CC1)NC(=O)C(N2Cc3c(F)cnc4[nH]cc(C2=O)c34)C(C)C
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+FC1(F)CCN(CC1)c2c3c(ncc(C(N)=O)c3)cnc2
+FC1(F)CN(C1)c2c(nc(C(NC(C)(C)CC(NC)=O)=O)cc2)OCC3CC3
+FC1(F)CN(C1)c2ncc(nc2OCC3CC3)C(N4CC5OCC4C5)=O
+FC1(F)Oc2ccc(C3(CC3)C(Nc4ccc(c(-c5c(ncc(C)c5)O)n4)C)=O)cc2O1
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4ccc(c(n4)-c5cc(cc(C(OC)=O)c5)O)C
+FC1(F)Oc2ccc(cc2O1)C3(CC3)C(=O)Nc4ccc(c(n4)C5=CC(N(C=C5)CCO)=O)C
+FC1CN(CC1)c2nc(cc(C)c2[N+]([O-])=O)N3CCOCCC3
+FS(F)(F)(F)(F)c1ccc2c(c(cn2CC)CN3CCN4C(=CC=C(n5cc(nc5)C)C4=O)C3=O)c1
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+Fc1c(F)c(c(c(F)c1)F)CC(Nc2ccnc(O)c2-c3[nH]c4cc5c(c(c4n3)C)CN(C5=O)CCN(C)C)C
+Fc1c(F)cn(c1)-c2ccc(N)c(c2)OCc3ccccc3
+Fc1c(OC)cc(OC)c(F)c1N2C(N(c3cc(C=NO)ncc3C2)CC)=O
+Fc1c(OC)cc(OC)c(F)c1N2Cc3c(c4cc[nH]c4nc3)N(CCO)C2=O
+Fc1c(cc(c(C)c1)O)C
+Fc1cc(OCCSc2nc3nc(C)cc(C)n3n2)ccc1Cl
+Fc1cc(c(F)cc1C)-c2ccc(nn2)OC3CCN4CCCC3C4
+Fc1cc(cc(F)c1)CC(c2c(C3=C(N4C(C=C3)=NNC4=O)C)ccc(C#CC(C)(C)O)n2)N
+Fc1cc(cc(F)c1-c2c(F)ccc(C(OC)=O)n2)C3(CCC3)O
+Fc1cc(cc(F)c1-c2nc(C(OC)=O)ccc2F)-c3c(noc3C)C
+Fc1cc(cc(F)c1C2C(Nc3c(C2=O)ccnn3)=O)F
+Fc1cc(cc(F)c1C=NOCC)CCO
+Fc1cc(cc(F)c1CSc2n(c(cn2)C(C)(C)c3ccc(Cl)c(OC)c3)-c4ccc(cc4)F)N
+Fc1cc(cc(F)c1F)-c2cc3CCc4c(ccc(CCC)c4)-c3cc2
+Fc1cc(cc(F)c1F)C=2c3cc(O)ccc3C(N(c4cccc(c4)C#N)C=2)=O
+Fc1cc(cc(F)c1NS(=O)(=O)C)C(NC(=O)c2coc(n2)Oc3cc(C4CC4)ccc3)C
+Fc1cc(cc(F)c1Nc2ncnc3cc(c(cc23)OC)OCC4CCN(CC4)C)Cl
+Fc1cc(cc(F)c1OCC#C)C(NC2C(CCC2)C)=O
+Fc1cc(cc(F)c1OCc2ccnc(SC(C)C)n2)CCC(=O)OCC
+Fc1cc(cc(F)c1Oc2ccc(cc2)S(=O)(=O)NCCOCCOCCOCCN)C=C(C)C(=O)OCC
+Fc1cc(cc(F)c1SC)C#N
+Fc1cc2c(Nc3c(C(N4CC(CCOC)N(CC4)C)=N2)ccs3)cc1F
+Fc1ccc(C#Cc2cc(C#N)cnc2)cc1CN(CCC#N)C
+Fc1cccc(F)c1-c2cccc(-c3cc4c(nccc4O)cc3)n2
+Fc1cccc(F)c1-c2sc(N)c(C(Nc3c(C4CCC(CC4)N)n(C)nc3)=O)n2
+Fc1cccc(F)c1COc2c3n(c(Br)c(C)n3)ccc2
+Fc1cccc(F)c1COc2c3n(c(C(=O)NC4(CC4)c5ccc(c(c5)F)F)c(C)n3)cc(n2)C
+Fc1cccc(F)c1COc2c3n(ccc2)c(c(n3)C)C(NO)=N
+Fc1cccc(F)c1COc2cc(Br)cn3c(c(nc23)C)C(O)=O
+Fc1cccc(F)c1COc2cc(C#C)cn3c(c(nc23)C)C(O)=O
+Fc1cccc(F)c1COc2cc(cn3c(C(OCC)=O)c(C)nc23)F
+Fc1cccc(F)c1COc2cccn3c(C(NCC(C)(COC)N)=O)c(nc23)C
+Fc1cccc(F)c1COc2n3c(c(C(NCC(CCC)(C)N)=O)c(C)n3)ccc2
+Fc1cccc(F)c1N2c3nc(NCc4ncc[nH]4)nc(-c5c(ccc(C(NCc6ccccc6)=O)c5)C)c3C=CC2=O
+Fc1cccc(F)c1S(=O)(=O)Nc2c(ccc(-c3c(-c4ccnc(NCC(F)F)n4)sc(n3)C(C)C)c2)F
+Fc1cncc(F)c1-c2c(nc(c(c2)N)N)-c3c(F)cccc3
+Ic1c(CO)cc(Br)cn1
+Ic1cc(CO)nc(Cl)c1OCC(C)=C
+Ic1cc([nH]c1)C(=O)OC
+Ic1cc(cc(I)c1OCCN(CC)CC)C(=O)c2c(CCC(=O)OC(CC)C)oc3c2cccc3
+N#CC1CN(c2ncnc3cc(Cl)c(cc23)C#N)CCN1C(C=C)=O
+N#CCOc1c(COc2cccc(c2)OCCc3ccccn3)cccc1C
+N#CCc1c2c(c(Cl)ncc2Br)[nH]c1
+N#Cc1c(C(=O)NC2CCNCC2C)[nH]c(C)c1Cl
+N#Cc1c(Cl)cc(cc1)-c2c(n(Cc3ccc(nc3)C(NN)=O)nc2C)C
+N#Cc1c(NC)cccc1
+N#Cc1c(c2c(nc1)c(Cl)cc(c2)NCc3ncn(C)c3C)Nc4cc(Cl)c(cc4)F
+N#Cc1c(c2cc(cnc2nc1)NC(=O)C=C)Nc3cccc(c3)Br
+N#Cc1cc(C=O)c(Cl)s1
+N#Cc1cc(F)c(cc1F)C2=CCN(CC2)C
+N#Cc1cc(F)c(cc1F)CCO
+N#Cc1cc(ccn1)-c2cc(nc(c2)C(=O)Nc3scc(C)n3)C
+N#Cc1cc(nc(n1)-c2ccccc2OCCC)O
+N#Cc1ccc(Oc2ccc3B(O)OCc3c2)cc1C(=O)O
+N#Cc1ccccc1Nc2nn3c(n2)cnc(-c4cccc(C(NCC)=O)c4)c3
+N#Cc1ccccc1Oc2c(O)cc(c(-c3ccco3)c2)C
+N#Cc1cnc2cc(c(OCCCC)cc2c1Nc3cc(c(Cl)cc3Cl)OC)OCCOC
+N#Cc1cncc(-c2cc3ccccc3o2)c1Nc4ccc5[nH]ccc5c4C
+N(C(C1CCC2C1(CC(O)C3C2CCC4CC(CCC34C)O)C)=O)C
+N(C(NC1C(CN(C)C2CCc3c(C2)ccc(F)c3)CCCC1)=O)c4cc(-c5n(C)nnn5)cc(c4)CC
+N(C(Nc1cccc(C)c1)=O)C(C)C(c2ccc3n(ncn3)c2)O
+N(C(OCC)=O)CCc1ncc2ccccc2c1
+N(C(c1c(Cl)ccc(OC)c1)=O)N(C)c2c(cnc(SC)n2)Br
+N(C)C(CCc1c(Br)cccc1Cl)=O
+N(C)C(CN1C(=O)C=C(C=C1)n2cc(nc2C)C#Cc3cccc(C)c3)=O
+N(C)C(COc1cc(C#N)ccc1CNC(=O)c2cc(NC(C)=O)c(c(Cl)c2)F)=O
+N(C)C(Nc1cc2OCCc3c(-c2cc1)sc(c3)C(N(c4c(Cl)cccc4)C)=O)=O
+N(C)C(Nc1ccc(Oc2c3cc(C(=O)NC)c(cc3ncc2)OC)cc1Cl)=O
+N(C)C(c1nn(C2CCCCO2)c3cc(ccc13)Nc4ccccc4C(NCC#C)=O)=O
+N(C)CC1Oc2c(cccc2C1)-c3cc(C)ccc3C
+N(C)c1cc(Cl)c(F)cc1
+N(C=O)c1sc(c(C(C(=O)NC2C(=O)N3C(=C(CSc4scnn4)CSC23)C(=O)O)=NOC)n1)C
+N(C=O)c1scc(C(=NOCCN)C(=O)NC2C(=O)N3C(=C(CSc4n(C)nnn4)CSC23)C(=O)O)n1
+N(CC(O)CCC)c1nc(N)nc2CCCCc12
+N(CCNC(c1nc(c(nc1N)N)Cl)=O)CC(NCCN)=O
+N(CCOCCOCCOCCNC(=O)CBr)C(CCCCC(=O)O)=O
+N(CCc1cc2c(OCO2)cc1)c3c4c(nc(-n5ccnc5C)n3)sc(C)c4C
+N(Cc1ccc2nc(SC)sc2c1)c3c(cc(C)cc3)[N+]([O-])=O
+N(N=C1C(N(N=C1C)c2ccc3c(CCO3)c2)=O)c4cc(cc(c4O)-c5cc(C(=O)O)ccc5)F
+N(c1c(OCC)cc2c(c1)c(ncn2)Nc3c(F)c(c(Cl)cc3)Cl)C(=O)C=CCBr
+N(c1c(cccc1)NC(=O)c2sc3c(cccc3)c2Cl)C(=O)c4cc(C#N)ccc4
+N(c1c(scc1)C(Nc2cccc(OC)c2)=O)C(C(Cl)CC)=O
+N(c1cc(CCOc2ccc(c3ccccc23)N)ccn1)C(C)=O
+N(c1cc(NC(=O)C=C)ccc1)c2ncnc(n2)Nc3cccc(Cl)c3
+N(c1cc2c(C=3C(CN(C)CC=3)F)c[nH]c2cc1)C(c4sccc4)=N
+N(c1cc2c(C=3CCC(CC=3)NC)c[nH]c2cc1)C(c4sccc4)=N
+N(c1cc2c(cc1)SCCN2CCNC)C(c3sccc3)=N
+N(c1ccc(C(O)=O)nc1)C(=O)C2CCCN(c3nc(c4ncsc4n3)Nc5ccc(OC)c(c5)OC)C2
+N(c1ccc2c(CCCN2CCCN(CCO)C)c1)C(c3sccc3)=N
+N1(C(=O)N(C)Cc2c(Br)cccc12)Cc3cccc(F)c3
+N1(C(=O)NC2CC(CC(C2)Nc3nc(ncc3F)Cl)C)CC(CC1)F
+N1(C(C=C(C)C1=O)=O)c2cc(N3C(C(OC)=CC3=O)=O)cc(N)c2
+N1(C(CC(SC(=O)C)C1)C(=O)N)C
+N1(C(Nc2c(ccc(OCCCCCl)c2)CC1)=O)C
+N1(C)C(=O)c2n(c(cc2Nc3ccccc13)C)C
+N1(C)C=C(C=C(C1=O)Nc2nn3CCOCc3c2)c4ccnc(c4CO)N5C(c6n(c7CCCCc7c6)CC5)=O
+N1(C)CCCC(C1)C(Nc2nc(-n3cnc4ccccc34)ccn2)C
+N1(C)CCN(c2c(cc3nc(-c4c(N)cn(C5CCCCO5)n4)[nH]c3c2)F)CCC1
+N1(C2(CC(C)(N(C(CC)(C2C)C)C)CC)C(N(C)C1=O)=O)C
+N1(C2CCCC1CNCC2)C(=O)CC
+N1(C=CC=C(C1=O)C(=O)NC(CC(OC)=O)c2sc(cc2)Br)Cc3ccc(F)c(F)c3
+N1(CC(F)CC1C(Nc2nc(ccc2)Cl)=O)C(=O)Cn3c4c(cc(cc4)Nc5nnccc5)c(C(N)=O)n3
+N1(CC(c2cc(ccc2)N)CCC1)CC3COc4c(cccc4)O3
+N1(CCCC1=O)CCOc2cnc3c(n2)ccnc3Cl
+N1(CCCC1=O)c2ccc(Oc3cc4CCNCCc4cc3)nc2
+N1(CCCC1CNC(=O)c2c(OC)c(Br)cc(c2OC)Cl)CC
+N1(CCN(CC1C)N)C(=O)C
+N1(CCOC(C1)C(Nc2c3c[nH]nc3cc(-c4c5cc[nH]c5ccc4)c2)=O)C(=O)C
+N1(CCSC1)C(=O)C2NCC(CNC(c3cccc(-c4nnn[nH]4)c3)=O)C2
+N1(CCc2c(nc(o2)C)C1)C(Cc3nn4c(c5cccc(OC)c5nc4N)n3)C
+N1(CCc2ccc(-c3cn(c4nccc(N)c34)C)cc12)C
+N1(CCl)CCC(O)N(c2sc(nn2)CC=C)C1=O
+N1(Cc2c(C1=O)ccc(N)c2)CC
+N1(Cc2sc3c(c2C1)c(ncn3)Nc4cc(c(cc4)Cl)Cl)C(OCC)=O
+N1(c2c(cccn2)C#N)CCc3c(nc(o3)-c4ccccn4)C1
+N1(c2cc(ncn2)N3CCOCCC3)C(C(n4cc(C#N)nn4)=CN1)=O
+N1(c2ccc(F)cc2F)c3c(C#C)c(F)c(cc3C(C(C(=O)O)=C1)=O)F
+N1(c2ncc(cc2C(=O)Nc3cccnc13)Br)CC
+N12C(CNCc3c1c(ccc3)C(CF)CC2)C
+N1=CN(C(c2scc(Br)c12)=O)C
+N1=NCC2(C1)CCCC2
+N1=NN(c2c(Cl)ccc(C(Cl)=O)c2Cl)C(=O)N1C
+N1=NN(c2cccc(Br)c2COC)C(=O)N1C
+N1=NN(c2cccc(Cl)c2CBr)C(=O)N1C
+N1C(=O)C(C)N2c3c(SCC2=N1)ccc(N)c3
+N1C(=O)C(C)N2c3cc(c(C)cc3OCC2=N1)Br
+N1C(=O)C(CCCC1)Nc2cc(c(cc2)C(=O)N)Nc3cc(C)ns3
+N1C(=O)C2(C(NC1=O)=O)Cc3cc(c(c(F)c3N4CC(C)OC(C)C24)F)C=O
+N1C(=O)c2c(c(ccc2Br)[N+]([O-])=O)C1
+N1c2cc(ccc2CCN(C)CC1=O)F
+N1c2cc(ccc2N=C(c3cc(ccc3)C#N)CC1=O)-c4occc4
+NC(=O)c1c(NC2C(CCCC2)C)c3n(nc1)cc(N)c3
+NC(=O)c1cc-2c(nc1O)CCc3ccccc-23
+NC(=S)Nc1cccc(-c2nccc(OC)c2)c1
+NC(C(c1c(cccc1)C#C)CC)=O
+NC(N)=Nc1nc(-c2cccc(CSc3[nH]c4ccccc4n3)n2)cs1
+NC(c1c(N)c2c(nc(nc2s1)CC(CO)C)-c3ccc(c(c3)Cl)Cl)=O
+NC1(C(OC(C)=O)CCC1)CNc2ccc(C#N)c(Cl)c2C
+NC1=C(N)C(N(C(=O)N1)C)=O
+NC1=C(NCCCOc2cc(CCl)ccc2)C(=O)C1=O
+NC1CCN(c2c3c(nc(N)n2)CCC3)C1
+NCC1Cc2c(O1)c3c(c(c(nc3c(C)c2)O)C)C
+NCCn1c2c(cc(C(=O)N3C4C(CCCC4)CCC3)cc2)nc1
+NCc1ncc(c2cc(OC)cc(OC)c12)C(=O)N3Cc4c(cccc4)CC3
+NNC(=O)c1c(C)nc(-c2cccnc2)[nH]1
+Nc1c(C=O)cnc(Cl)c1
+Nc1c(I)cc(Cl)nc1
+Nc1c(I)cnc(Cl)c1Br
+Nc1c(N)c(cc(F)c1)C(=O)N
+Nc1c(N)cc2c(ncnc2c1)Nc3cccc(Br)c3
+Nc1c(NC(=O)N(C)CCC)cc(cc1)C=2CCCC=2
+Nc1c(NC(C)=O)c(Br)c(c(c1)C(=O)O)O
+Nc1c(cc(C)c(-c2cc3c(nc2)cc(nc3)Cl)c1)F
+Nc1c(cc(Cl)cn1)C=O
+Nc1c(ccnc1)C(=O)OC
+Nc1cc(C(=O)OC)c(Cl)cc1OCC
+Nc1cc(C)c(C(=O)C)c(Cl)c1
+Nc1cc(C)c(CCC(OC)=O)cc1-c2cc3cnn(C)c3cc2
+Nc1cc(C)c(cc1)-c2cnco2
+Nc1cc(C)cc(c1F)Br
+Nc1cc(Cl)c(cc1C#N)C
+Nc1cc(OC)c(CCNCc2c(cccc2)OC)cc1OC
+Nc1cc(c(F)cc1)Nc2nc(Nc3cc(C)ns3)ncc2Cl
+Nc1cc(c2c(CCC(=O)N2)c1)OC
+Nc1cc(cc(N)c1)C(=O)OCCCCCCCCOC(=O)C(=C)C
+Nc1cc(cc(OCC)c1)C(=O)OC
+Nc1cc(ccc1O)Oc2c3c([nH]cc3)ncc2
+Nc1cc(cnc1Cl)Nc2ncc(OC)cc2-c3nc(N)nc(C)n3
+Nc1cc2c(cc1)nc(cc2C)Cl
+Nc1cc2c(nc(o2)C)c(Br)c1
+Nc1ccc(N2CC(NC(C)=O)CC2)cc1-n3ccnc3
+Nc1ccc(c(CC)c1F)Cl
+Nc1ccc2c(C(OC(OCC)=N2)=O)c1CC
+Nc1cccc(Cl)c1I
+Nc1cccc(c1C)C(=C)C
+Nc1cccc2CCCN(C)c12
+Nc1cccc2c(nccc12)C#N
+Nc1cccnc1Nc2cc(ccc2)C=Cc3cnccc3
+Nc1cnc(NCc2ncccc2)c(Cl)c1
+Nc1cnn(c1)CCN2c3cc(c(OC)cc3CC2)OC
+Nc1n[nH]c2c1cc(I)cn2
+Nc1nc(C(=O)N2C(CC3CC23)CN)c(-c4cc(C)ccc4)s1
+Nc1nc(nc(N)c1N)-n2nc(c3ccccc23)Oc4ccccc4F
+Nc1nc(nc(N)n1)NC2CC2
+Nc1ncc(CCC(=O)NC)nc1Br
+Nc1ncc(c(C)c1)C=CC(N(Cc2n(c3c(cccc3)c2)C)C)=O
+Nc1ncn(CCCN)c1
+Nc1sc(nn1)-c2ccnc(NC)c2
+O(C(=O)CCCN(CCC1Cc2c(cccc2)OC1)CCBr)CC
+O(C(=O)CCCN(Cc1ccc2ccoc2c1)C(C3(C)CCN3C(=O)Cc4c5c(cccc5)sc4)=O)CC
+O(C(C)=O)CCOc1cc(c(N)cc1)OC
+O(C(CCCCN(C1c2ccc(nc2CCC1)C#N)CCc3ccccc3OC)=O)CC
+O(C(CCCCOc1c(c(OC)c(cc1)OC)C=O)=O)CC
+O(C)C(OC)(CC(=O)Nc1cccc(OCc2ccccc2)c1)C
+O(C)C(OC)C(CNC(=O)c1cc2c(c(N(C)S(=O)(=O)c3ccccn3)ccc2)n1COC)SCc4ccccc4
+O(C)C(OC)C1(Oc2c(c(C)c(c(c2C)C)OCc3ccccc3)CC1)C
+O(C)C(OC)CN(C1CCCCC1)C(CCOCCc2cc(ccc2)C=O)=O
+O(C)C(c1sc(cc1)C#CCBr)=O
+O(C)C1=CC=CN2C1=NNC2=O
+O(C)CCCCOc1cc(CSc2nc3ccccc3[nH]2)ncc1
+O(C)CCCOc1ccnc(c1C)CSc2nc3ccccc3[nH]2
+O(C)CCOc1ccc2nc(Cl)n[n+]([O-])c2c1
+O(C)P(OC)(=O)Cc1c(CBr)nc2c(cc(cc2)Cl)c1
+O(C)c1c(C(=O)C)cc(Cl)c(C)c1C=C
+O(C)c1c(F)c(c(F)c(OC)c1)-c2c3c(nccn3)c(C(=O)Nc4[nH]c(CN(CC)CC)cn4)cc2
+O(C)c1c(F)c(c(F)c(OC)c1)-c2nc3n[nH]c(c3cn2)-c4ccc5C(=O)N(CC(C)O)Cc5c4
+O(C)c1c(F)cc2C(C(Cc2c1C)CCCC)=O
+O(C)c1c(N)c(F)cc(Cl)c1[N+](=O)[O-]
+O(C)c1c(c(I)c(c(c1N)C(=O)N)C)F
+O(C)c1c(c(c(OC)c(OC)c1OC)C)Cc2c(c(C(OC)=O)ccc2)O
+O(C)c1c2-c3c(O)cccc3C(=O)c2ccc1
+O(C)c1c2c(c(Cl)cc1C(=O)O)[nH]c(C)n2
+O(C)c1cc(CCNC(C)=O)c2c(ccc(OC)c2)n1
+O(C)c1cc(cc(OC)c1)CCc2[nH]nc(NC(c3cnc(nc3)N4CCCN(CC4)CC)=O)c2
+O(C)c1cc(cc(OC)c1)Nc2nc(Nc3ccccc3S(=O)(=O)C)c(cn2)C(=O)N
+O(C)c1cc(cc(OC)c1OC)CCCBr
+O(CC)C(C=Cc1c2c(nn(C)c2)c(F)cc1)=O
+O(CC)C(OCC)CNCCCCCCNCc1ccc(cc1)C=C
+O(CC)C(c1cccc(-c2ccccc2-c3c(OC)ccc(Br)c3)n1)=O
+O(CC)C(c1cccc(-c2ccccc2-c3cc(ccc3OCc4ccccc4F)Cl)n1)=O
+O(CC)P(OCC)(=O)CCc1ccnc(C=2Sc3c(ccc(Cl)c3)C(N=2)=O)c1
+O(CC)P(OCC)(CCCN)=O
+O(CC)[Si](OCC)(OCC)CCCOCc1ccc(cc1)OC(=O)c2ccccc2
+O(CCC1C(c2c(cc(c(c2Cl)Cl)OC)C1)=O)C(=O)C
+O(CCN=[N+]=[N-])CCOCCOCCOC
+O(Cc1c(ccc([N+]([O-])=O)c1)C(=O)O)c2cccc(NC(C)=O)c2
+O(Cc1cc(N)ccc1Cl)c2cnc(cc2)NCCO
+O(Cc1ccc(cn1)F)c2cc(c(cc2)CC[N+](=O)[O-])F
+O(Cc1nc(ccc1)CNc2nc(nc(Cl)c2NC=O)N)C3COCC3
+O(Cc1ncccc1)c2cc(C=CCN3CCc4c(CC3)nc(N)s4)ccc2
+O(c1c(C(=O)c2c(ccc(Br)c2Cl)OC)c(cc(c1OC)OC)C)C
+O(c1c(C(c2c(ccc(Cl)c2)NCc3c(cc(cc3)OC)OC)O)cccc1OC)CC
+O(c1c(O)cc(CC)c(C)n1)C
+O(c1c(cc(Cl)cc1)C(CC)=O)c2c3cc(c(OC)cc3ncc2)OC
+O(c1c(cc(c(c1)OCC)Br)CC)C(C)=O
+O(c1c(cc(cc1)Cn2c3c(cc(cn3)I)nc2)OCC)Cc4ccc(nc4)OC
+O(c1c(ccc(C(Nc2c(F)ccc(c2)C)=O)c1)F)c3cc(-c4[nH]cc(c4)C(=O)OC)ncc3
+O(c1c(cccn1)CBr)C
+O(c1c2C(CCCc2nc(Cl)c1)Cl)C
+O(c1cc(N)c(cc1CC)F)C(=O)OC
+O(c1cc(cc(OC)c1)CCc2nc3cc(-c4ccc(N5CCN(CC5)C)c(C#N)c4)[nH]c3nc2)C
+O(c1cc(cc(OC)c1)OC2C(=O)N3CCCc4c(C23c5ccccc5)cccc4)C
+O(c1cc(cc(OC)c1)OC2C3(N(CC(=O)N(CCC)c4c3cc(Cl)cc4)C2=O)c5ccccc5)C
+O(c1cc(cc(OC)c1OC)-c2nccc(CN3CCC(CC3)C(=O)N)c2)C
+O(c1cc2nc[nH]c2cc1)CCCCCCCCCCCCN=[N+]=[N-]
+O(c1cccc(OC)c1)Cc2cc3CCNCCc3cc2
+O(c1cccc(c1)F)c2ncc(CC[N+](=O)[O-])cc2
+O(c1cccnc1)c2cc(OCCOC)c(Nc3nccs3)nc2
+O(c1ccnc(-c2oc(nc2)C)c1)c3cnc(cc3)N
+O(c1ccnc(CCC)c1)C
+O(n1nnc2c1cccc2)c3nc(NC(c4ccc(F)cn4)C)c(C(=O)N)cn3
+O1C(=O)Nc2ncc(C=CC(=O)N(C)Cc3c4ccccc4n(C)c3)cc12
+O1C(Oc2cc(cc(c2C1)F)Br)CNCCC
+O1CC(COC1(C)C2CCC(CC2)=O)(C)C
+O1CC2(COC1(OC2)C3CCC(CC3)C#C)CCC
+O1CC2N(c3cnc4ccc(Sc5n6c(c(cc(-c7cnn(C)c7)c6)F)nn5)cc4c13)CCC2
+O1CCOC1(C)COc2cc3C4(N=C(N)OC4)c5c(ccc(c5)-c6c(ccc(Cl)c6)F)Oc3nc2
+O1CCOC1(CCCCCCN)C
+O1CCOC1(CCCn2c3c4ccccc4[n+](cc3nc2C)[O-])C
+O1CCOC12CC(C2)c3onc(-c4cc(NC(=O)c5n6ccccc6nc5)c(cc4)C)n3
+O1CCOC1C(CCC=O)CCOCc2ccccc2
+O1CCOC1CN2C(=O)C(NC(=O)Nc3ccc(cc3)C)(c4ccccc24)CC(Nc5ccc(cc5)C)=O
+O1CCOC1c2cc(Cl)c(cc2)Oc3cc(N)c(cc3)N
+O1CCOC1c2ccc(cc2)Oc3cc4cnn(c4cc3)C(=O)C
+O1CCOC1c2cnc(cc2)-c3sc4c(nccc4Oc5ccc(cc5F)NC(=O)NC6CN(C6)C)c3
+O1CCOC1c2ncccc2N
+O1CCOC2C1CN(C2)CC=CC(=O)Nc3c(OCC)cc4c(c3)c(ncn4)Nc5cc(ccc5)C#C
+O1CCc2c3n(ncc3CCNC(=O)C)ccc12
+O1Cc2c(ccc(C3CO3)c2OC)C1=O
+O1c2c(CCC1)c(C)c(Br)cc2F
+O1c2cc(CC#N)cc(F)c2OC1
+O=C(C(=NOC)c1csc(N)n1)NC2C(=O)N3C(=C(CSc4n(C)nnn4)CSC23)C(=O)O
+O=C(C(=NOC)c1csc(NC(CCl)=O)n1)OC
+O=C(C(=NOCCCC)c1csc(N)n1)NC2C(=O)N3C2SCC(Cl)=C3C(=O)O
+O=C(C(=O)c1cc(NC(C)=O)c(cc1C)F)OCC
+O=C(C(=O)c1cn(c2c1cc(F)c(Br)c2)C)OCC
+O=C(C(CCN=[N+]=[N-])NC(=O)CCCCCCCCCCCCCCCCC(O)=O)O
+O=C(CN1CCCC1=O)N2CCCC2C(N3CCCC3C=O)=O
+O=C(CNC(c1c(c2c(n(cc2Cl)Cc3ccc(F)c(F)c3)c(n1)C#N)O)=O)O
+O=C(N)c1c(C)cc(cc1Br)F
+O=C(N)c1c(O)nc(F)cn1
+O=C(NC1C(N2C1SCC=C2C(=O)O)=O)C(=NO)c3csc(N)n3
+O=C(NCCn1ncnc1)N2C(=O)CCC2
+O=C(O)CNC(COc1nc(c(Cl)cc1Cl)F)=O
+O=C(O)c1cccc(c1O)CC=2C(=O)C(OC)=C(C(=O)C=2C)OC
+O=C(O)c1cnc(C(=O)c2cccc(OC)c2)c3cc(OC)c(OCCCOC(=O)C)cc13
+O=C(OC)C(=COC)c1ccccc1COc2c(C)cc(c(C)c2)C(CC)=NO
+O=C(OC)N1CC(C(C1)OCC)Nc2c(nc(-c3cc4c(cc3OC)CCC4)c(CC)n2)CC
+O=C(OC)N1CC(C(OCCF)C1)Nc2c(nc(c(CC)n2)-c3ccc(OC)cc3Cl)CC
+O=C(OCC)C(=Cc1cc(c(cc1)-n2cc(nc2)C)OC)CCCCNCc3cccc(F)c3
+O=C(OCC)C(C(=O)OCC)(C)c1ccc(cc1)N2CCN(CC2)C
+O=C(c1c(ccc(C)c1)-c2cnn(C)c2)N3CCCC(C)C3CNc4c(C)cccn4
+O=C(c1c2c([nH]c(-c3c(F)cc(-c4cc(ccc4)OC)cc3)n2)ccc1)O
+O=C(n1c2c(cc1)c(ccc2)C(c3c4c([nH]c3)ncc(-c5cnccc5)c4)=O)NCCCC
+O=C(n1cc(c2ccccc12)C(=O)O)N
+O=C1C(C(=O)C)=C(C=C2C1(c3c(cc(c(C(=O)NCc4c5c(cccc5)ccc4CC)c3O2)OC)O)C)O
+O=C1C(Cc2cc(c(c([N+](=O)[O-])c12)O)O)=Cc3ccc(c(OC)c3)OC
+O=C1C(NC(=O)N1)(c2cccc(Br)c2)c3cc(C)ccc3
+O=C1C=Cc2cc(-c3cnccc3)ccc2N1C
+O=C1CCC(=O)N1CCOc2c(OC)cc3C=4N(C=C(C(=O)C=4)C(=O)OCC)C(CC)Cc3c2
+O=C1CCC(=O)N1OC(=O)CCc2cc(C=Nc3c(O)cccc3)c(cc2)O
+O=C1N(C(C(=O)NC(C(=O)CF)CC(=O)O)C)C=CC=C1
+O=C1N(C)c2ccc(-c3cc(cnc3)-c4cnccc4)cc2C1
+O=C1N(CCO1)c2ccc(NC(=O)N(OC)C)cc2Cl
+O=C1Nc2c(NC1=O)c(C#N)c(s2)SC
+O=C1OCc2cc(CCN3CCN(CCc4ccc5nonc5c4)C(=O)C3)ccc12
+O=C1c2c(C(=O)N1C(CC(CN3C(=O)c4ccccc4C3=O)=C)C(F)F)cccc2
+O=C1c2c(N=C(N1c3ccc(c(c3)Cl)Cl)SCC(=O)NC4c5c(CC4)cccc5)cccc2
+O=C1c2c(cccc2)C(=O)N1C(c3ccc(cc3)-c4c(O)nccc4)C
+O=C1c2c(cccc2)C(=O)N1c3cc(cc(F)c3)Oc4cccnc4
+O=C1c2c(ncn2C)N(C(=O)N1CCCCCCCCCCCCCCCC(O)CO)C
+O=C1c2ccc(cc2OCc3c1cc(cc3)F)F
+O=C1c2cccc(c2N(C)C(=O)N1c3c(C)c(ccc3)Br)C
+O=C1c2ccccc2C(=O)N1Cc3ccc(cc3OC(C)=O)[N+]([O-])=O
+O=C1c2ccccc2C(=O)N1c3ccc(C=CC(N(C)Cc4n(C)c5c(c4)cccc5)=O)cn3
+O=Cc1c(Cl)cc(c(c1F)I)F
+O=Cc1c(F)nc(cc1)NCc2c(Cl)cccc2
+O=Cc1c(OC)cc(OC)c(c1)C#Cc2ccccc2NC(=O)C
+O=Cc1c(c(c(c([N+]([O-])=O)c1)O)O)Cl
+O=Cc1c(cc(N2C(CO)CCCC2)s1)Br
+O=Cc1c(ccc(C)n1)-c2oc(cn2)CC
+O=Cc1c2c(c(C)c(cc2)[N+]([O-])=O)[nH]c1
+O=Cc1cc(Br)cc2CCCN(CCCCC(OCC)=O)c12
+O=Cc1cc(C(Cl)=O)cc(C)c1
+O=Cc1cc(OC)cc([N+]([O-])=O)c1
+O=Cc1cc(c(C)cc1-c2ccc(c(F)c2F)F)OCC
+O=Cc1cc(c(OCCCC)c(Cl)c1)OCC(OCC)=O
+O=Cc1ccc(-c2ccc(cc2F)F)c(F)c1O
+O=Cc1ccc(OCC)cc1[N+]([O-])=O
+O=Cc1ccc2ncc(n2c1)C(=O)OCC
+O=Cc1n(ccc1)-c2c(F)ccc([N+]([O-])=O)c2
+O=Cc1nc(cc(c1)CCCSC)C(=O)OC
+O=Cc1oc2cccc(c2c1)Br
+O=S(=O)(C(C(NO)=O)(CCc1ccc(cc1)-c2ccccc2)C)C
+O=S(=O)(C(C)C)NC(c1ccc(cc1)Oc2cc(N3N=C(N(C3=O)C(F)F)C)c(F)cc2Cl)=O
+O=S(=O)(C(CCN1C=C(F)C(=CC1=O)C#Cc2ccccc2)(C)C(OCC)=O)C
+O=S(=O)(C(c1c(C)cc(C(=O)NCOCc2cnccc2)nc1)c3cc(F)ccc3F)c4ccc(cc4)F
+O=S(=O)(C(c1ccccc1)C(C)(C)O)N
+O=S(=O)(C)C(CCn1ncc(-c2cnccn2)c1)(C)C(NO)=O
+O=S(=O)(C)CCC(NC(=O)c1cc(c(cc1)C(=O)N2CCCC2CN)Cl)c3nc4cc(ccc4[nH]3)Cl
+O=S(=O)(C)CCCOc1cc(c(cn1)-c2ccc(F)c(COc3ncc4C5C(C5C(OCC)=O)Cc4c3)c2)C
+O=S(=O)(C)CCOCCOCCOCCOCCOCCOCCCCCC(OCC)=O
+O=S(=O)(C)Cc1cc(N2CCOCC2)nc(-c3cc4c(cc3)[nH]nc4)n1
+O=S(=O)(C)Cc1nc(nc(N2CCOCC2)c1)-c3cc4c(C)n[nH]c4cc3
+O=S(=O)(C)N(C)c1c(-c2cc(-c3nc4ccccc4s3)ccc2)cc5c(c1)oc(-c6ccc(cc6)F)c5C(NC)=O
+O=S(=O)(C)N(C)c1c(-c2nc-3c(cc2)OCn4c5ccccc5cc-34)cc6c(oc(C=7CCCC=7)c6C(=O)NC)c1
+O=S(=O)(C)N(Cc1ccc(cc1)-c2c(ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)C)C
+O=S(=O)(C)N(Cc1cccc(CC(=O)OC)c1)CCCc2c(C)nc(nc2NCCCCC)N
+O=S(=O)(C)N(c1cc2oc(-c3ccc(cc3)F)c(c2cc1Br)C(=O)NC)CCCO
+O=S(=O)(C)N1CC(C1)c2ccc(c(F)c2)N(C)c3ncc4c(n(C)cn4)c3
+O=S(=O)(C)N1CC(N(Cc2ccccc2Cl)c3ccc(C#N)c(Cl)c3)CC1
+O=S(=O)(C)N1CC(N(Cc2oc3C(c4ccncc4OCCOC)=CN(C(=O)c3c2)C)CC1)C
+O=S(=O)(C)N1CCC(C1)Oc2ccc(cc2)-c3c4n(ccc3)nc(c4)NC(=O)C5CC5
+O=S(=O)(C)N1CCC(CC1)NC(=O)c2n(Cc3cc(on3)-c4ccc(Cl)s4)c5c(cccc5)c2
+O=S(=O)(C)N1CCN(CC1)C(=O)C(CCCNC2C(C2)c3ccc(cc3)F)NC(c4ccc(cc4)F)=O
+O=S(=O)(C)NC(=O)c1cc(ccc1)-c2nc(NC(=O)C3(CC3)c4ccc5OC(F)(F)Oc5c4)ccc2C
+O=S(=O)(C)NC(c1ccc2NC(CC(C)(C)c2c1)c3cccc(N4CCN(CC4)c5c(cc(C)cc5)C)c3)=O
+O=S(=O)(C)NC(c1ccc2c(c1)C(C)(C)CC(c3cc(ccc3)C(=O)Nc4ccccc4)N2)=O
+O=S(=O)(C)NC1CNC1
+O=S(=O)(C)NCC1COCc2n1c3c(c(nc4c3cccc4)N)n2
+O=S(=O)(C)NCCc1cc2ccc(cc2cc1)OCCNC(c3ccccc3)=O
+O=S(=O)(C)NCc1cccc2c(O)nc(-c3ccc(cc3)CN4CCN(CC4)C)cc12
+O=S(=O)(C)NN1C(=O)Nc2cc(c(cc2C1=O)-c3ccnn3C)C(F)(F)C
+O=S(=O)(C)Nc1c(C(N2CCCC(C(Cl)=O)C2)=O)cccc1
+O=S(=O)(C)Nc1c(Oc2c(cccc2)Cl)cccc1CC(=O)O
+O=S(=O)(C)Nc1c(c(Br)cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)c1)OCc4cccc(c4)N
+O=S(=O)(C)Nc1c(c(ccc1)CC=O)C
+O=S(=O)(C)Nc1c(ccc(c1)N)OC2CCCCC2
+O=S(=O)(C)Nc1cc(NC(=O)OCC)c(F)cc1Cl
+O=S(=O)(C)Nc1cc(Nc2oc(cn2)-c3ccc(C#N)c(F)c3)ccc1
+O=S(=O)(C)Nc1cc(ccc1Nc2nc(Nc3ccc(cc3OC)OCCO)ncc2Cl)OC
+O=S(=O)(C)Nc1cc(ccc1O)C(O)CNCCc2ccc(cc2)OCCOCc3cc(ccc3)C#N
+O=S(=O)(C)Nc1cc(ccc1Oc2ccccc2)OCCC(=O)O
+O=S(=O)(C)Nc1ccc(CC2=NCCN2)c(C)c1F
+O=S(=O)(C)Nc1ccc(cc1OCC2CC2)N
+O=S(=O)(C)Nc1cccc(OCC2OC2)c1
+O=S(=O)(C)OC(C)c1c(c(C(=O)NCC)c(c(c1)Cl)C)-c2cc(F)cc(c2)F
+O=S(=O)(C)OC(c1c(F)cnc(Br)c1)(CN=[N+]=[N-])C
+O=S(=O)(C)OC1C(CCCC1)Nc2nc3c(s2)cc(Cn4cnc5c4nccc5)cc3
+O=S(=O)(C)OC1CC(OC1)c2ccc(cc2)Cl
+O=S(=O)(C)OC1CCCN(c2nc3ccc(cc3s2)Br)C1
+O=S(=O)(C)OCC1CN(c2ccc(c(c2)F)C3=CCSCC3)C(=O)O1
+O=S(=O)(C)OCCCCN1C(=O)c2n(CC=C)c(Cl)nc2N(CCCC)C1=O
+O=S(=O)(C)OCCCOc1ccc(Cc2c(C)nc(nc2NC(CCC)CCOC(=O)C)N)c(OC)c1
+O=S(=O)(C)OCCOc1ccc(cc1)Cc2c(nn3c2nc(cc3C)C)CC
+O=S(=O)(C)OCCc1cc(ccc1)NC(OCC)=O
+O=S(=O)(C)OCc1cc(C2(OCCO2)C)ncc1
+O=S(=O)(C)OCc1ccnc(c1)C(N)=O
+O=S(=O)(C)OCc1noc(C)c1-c2c(C(c3ccc(cc3)Cl)=O)cccc2
+O=S(=O)(C)Oc1c(Cl)cc(c(-n2c(C)c(Cl)c(n2)C)c1)F
+O=S(=O)(C)Oc1ccc2[nH]cc(c2c1)CC(C(N3C(CCC3)C#N)=O)N
+O=S(=O)(C)Oc1cccc(c1)C2(NC(N(C)C2=O)=N)c3ccc(F)c(-c4c(F)ncc(Cl)c4)c3
+O=S(=O)(C)c1c(Cl)cc(cc1)C(=NOC2CCCC2)C(Nc3nn(CCC)cc3)=O
+O=S(=O)(C)c1c(NC(C)c2cc(cc(Cl)c2OC)F)cc(F)cc1
+O=S(=O)(C)c1cc(C2=NC(c3ccc(Cl)cc3S2)=O)nc(c1)CCC(OCCN(CC)CC)=O
+O=S(=O)(C)c1cc(F)c(cc1)C(Nc2ccc(cc2F)Br)=S
+O=S(=O)(C)c1cc(c(cc1)OC)C(=O)Nc2c(-c3ncccc3)[nH]nc2
+O=S(=O)(C)c1cc(ccn1)C(NC(c2cncc3c2cnn3-c4ccc(cc4)F)=O)CC(=O)NC
+O=S(=O)(C)c1cc2OC(COc2cc1)CN3CCCC(C3)C
+O=S(=O)(C)c1cc2[nH]c(-c3ccc(cc3)-c4cscc4)nc2cc1
+O=S(=O)(C)c1cc2c(CCC(O2)CNC)cc1
+O=S(=O)(C)c1ccc(C(=O)c2c(n(C)nc2)OC(=O)SCC)c(c1OCCOC)C
+O=S(=O)(C)c1ccc(C(CC2CCC(CC2)=NOC)C(Nc3cnccn3)=O)cc1Cl
+O=S(=O)(C)c1ccc(C(CCC(C)=O)=O)cc1F
+O=S(=O)(C)c1ccc(F)cc1NC(c2c(OC)c(C)cc(F)c2)C
+O=S(=O)(C)c1ccc(Oc2cc(c3[nH]c(cc3c2)C4=NCC(CCO)S4)OCC)cn1
+O=S(=O)(C)c1ccc(Oc2cc3cc([nH]c3c(OC)c2)C=4SC(CC(NCC(C)(C)O)=O)CN=4)cn1
+O=S(=O)(C)c1ccc(cc1)Oc2c3c(oc(CC)c3)cc(C(=O)Nc4ncc(C)cc4)c2
+O=S(=O)(C)c1ccc(cc1-n2cncc2)-c3c(nc(N)s3)C
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c([nH]c(C=4SC(CC(NC)=O)CN=4)c3)c(c2)C
+O=S(=O)(C)c1ccc2C(N(c3ccc(cc3)C(CC)C)C(=Nc2c1)c4cc(C)c(c(C)c4)OCCO)=O
+O=S(=O)(C)c1ccc2N=C(N(C(c2c1)=O)C)C(N3CCN(CC3)S(=O)(=O)c4ccc(cc4)OC)C
+O=S(=O)(C)c1cccc(-c2cc3c(c(N4CCOCC4)nc(n3)-c5cnc(nc5)N)cc2F)c1
+O=S(=O)(C)c1cccc(-c2sc3CN(CC(N4CCN(CC4)C5CCC5)=O)CCc3n2)c1
+O=S(=O)(C)c1cccc(c1)-c2ccc(-c3cc(nn3-c4c(cccc4)Cl)CC(NCC)=O)s2
+O=S(=O)(C)c1cn(c2nc(-c3cc(c(cc3)OC)F)nc(C)c12)-c4cccc(OCC(=O)N(C)C)c4
+O=S(=O)(C)c1cnc(N2CCC(CC2)(C)N)cc1
+O=S(=O)(C)c1cnc(cc1)-c2c(c(CC(O)=O)cc3ccc(cc23)F)C
+O=S(=O)(C)c1cncc(-c2c3c(n(n2)C)nc(nc3)N)c1
+O=S(=O)(C)c1nnc(N2C(=O)N(NC2)CCCC)s1
+O=S(=O)(C1C(C2(CCOCC2)c3ccc(cc3)OCCCN4CCCC4)OC=N1)c5ccc(cc5)C
+O=S(=O)(C1CC(C(NC2(CC2)C#N)=O)C(C1)COc3ccncc3)c4ccc(F)cc4Cl
+O=S(=O)(C1CC1)NC(=O)c2cc3CC(C)(C)C(Nc3cc2)c4c(ccc(c4)F)C
+O=S(=O)(C1CC1)NC(c2ccc3NC(C(C)(C)Cc3c2)c4cc(N5CCN(CC5)c6c(cc(C)cc6)C)ccc4)=O
+O=S(=O)(C1CC1)NC2=CN(C(=O)C=C2Nc3c(F)cc(I)cc3)C
+O=S(=O)(C1CC1)NCc2ccc(c(C(=O)Nc3ccc(OC)c(c3)C(Nc4ccc(cc4)Br)=O)c2)Cl
+O=S(=O)(C1CC1)Nc2c(ccc(C(=O)Nc3cc(F)c(cc3)F)c2)F
+O=S(=O)(CC)CCCn1c(COS(=O)(=O)C)cc2cc(Cl)ccc12
+O=S(=O)(CC)N1CC(CC1)Oc2cc(ccc2-c3ccncc3)F
+O=S(=O)(CC)NC(C(=O)NC1C(c2ccc(OCC#C)c(OC)c2)CCCC1)C(C)C
+O=S(=O)(CC)NCCOc1nc(C2CC2)nc(NS(=O)(=O)c3ncc(cc3)C(C)C)c1Oc4c(cccc4)OC
+O=S(=O)(CC)c1c(CN)cc(cc1)C#N
+O=S(=O)(CC)c1cc2c(OC(C)(C)C(=O)N2)c(c1)Br
+O=S(=O)(CCC)NCCOc1ccc2CCNC(c2c1)C3(CCC3)c4nc(ccc4)Cl
+O=S(=O)(CCC)Nc1c(F)c(c(F)cc1)C(c2c3c(ncc(Br)c3)n(C(c4c(cccc4Cl)Cl)=O)c2)=O
+O=S(=O)(CCC)Nc1c(F)c(c(cc1)F)NC(c2cccc3c(ncnc23)N)=O
+O=S(=O)(CCCC)NC(C(=O)NCCc1ccc(c(OC)c1)OCc2cccc3ccccc23)C(C)CC
+O=S(=O)(CCCNC(C)=O)OCC(C)(C)C(=O)OCC
+O=S(=O)(CCCNC(C)=O)OCC(C)(C)CCCO
+O=S(=O)(CCCOc1ccc(N)c(OC)c1)C
+O=S(=O)(CCN1C(C=CC(c2c(ccc(NC(=O)C3(CC3)c4ccc5OC(F)(F)Oc5c4)n2)C)=C1)=O)C
+O=S(=O)(CCNC(c1ccc(cc1)C=NNc2c3cnn(-c4ccccn4)c3ncn2)=O)C
+O=S(=O)(CCNC)c1cc2c(cc1)nc(s2)NC(=O)NC(=O)c3ccccc3Cl
+O=S(=O)(CCOc1cc(c(Nc2c(c(ncn2)OC3CCN(CC3)C(=O)OC(C)C)C)cc1)F)C
+O=S(=O)(CCn1ccc2ncnc(c12)Nc3ccc(c(Cl)c3)Oc4cccc5sncc45)C
+O=S(=O)(Cc1c(OCCN2CC(NCC2)=O)cc(C(Nc3ccc(Cl)c(-c4ccccn4)c3)=O)cc1)C
+O=S(=O)(Cc1c2[nH]cc(C(c3c(F)cc(Cl)cc3)C4CC4C#N)c2ccc1)C
+O=S(=O)(Cc1cc(C=2c3cc(-c4cnn(c4)C)ccc3C(N(C)C=2)=O)c(cc1F)OC)C
+O=S(=O)(Cc1ccc(C#N)c(OC)c1C(=O)O)c2ccccc2
+O=S(=O)(Cc1ccc(cc1)Cl)CC(c2c(C)c3c(ccc(Cl)c3)s2)=O
+O=S(=O)(Cc1ccc(cc1)NC(c2ncnc(c2)N(CC3CC3)C4CCCCC4)=O)CCC(=O)O
+O=S(=O)(Cc1ccc2N(Cc3c4C(=CN(C(=O)c4[nH]c3C(N)=O)C)c2c1)c5ccc(cc5)Cl)C
+O=S(=O)(Cc1ccccc1)N2CCC(CC2)Cn3cnc4c3ccc(-c5cn(C6CCCCO6)nc5)c4
+O=S(=O)(Cc1ccccc1)NC(C2c3ccccc3C(=O)N(C4C(CCCC4)NS(=O)(=O)C)C2c5ccc(cc5Cl)Cl)=O
+O=S(=O)(Cl)c1c(SC)ccc(C2CC(O)=C(C(=O)CC)C(=O)C2)c1
+O=S(=O)(Cl)c1ccc(c(c1)C(C)C)OC
+O=S(=O)(Cl)c1ccc2nc(ccc2c1)O
+O=S(=O)(F)c1cc(ccc1)N=Nc2cc(C=NO)c(O)c(c2)Cl
+O=S(=O)(N(C(=O)OC)c1c(C(=O)OC)c2c(cc1)C3CC3CO2)c4c(cc(F)cc4)C=CCO
+O=S(=O)(N(C)C)c1c(ncc(c1)-c2nc3c(cc2)nccc3-c4ccncc4)N
+O=S(=O)(N(C)C)c1cc2c(cc1)NC(=O)C2=Cc3c(c4ccccc4[nH]3)C
+O=S(=O)(N(C)C)c1ccc(cc1)-c2cc(C(=O)N)c3[nH]cc(C4CCN(CC4)S(=O)(=O)CC)c3c2
+O=S(=O)(N(C)CC(CO)c1ccccc1)c2ccccc2
+O=S(=O)(N(C)CC(NC)Cc1cccs1)C
+O=S(=O)(N(C)CCC#Cc1cccc(CF)n1)c2c(cccc2)Cl
+O=S(=O)(N(C)c1cc(cc(N(C)CCC)n1)C(=O)O)C
+O=S(=O)(N(C)c1ccc(c2c1[nH]c(C=3SC(CN=3)CC(=O)N)c2)C)c4cccs4
+O=S(=O)(N(C)c1ccc(c2cc([nH]c12)C3=NCC(CCO)S3)C)c4cccs4
+O=S(=O)(N(C)c1cccc2c1[nH]c(C3=NCC(S3)CC(=O)N4CCN(CC4)C)c2)c5cccs5
+O=S(=O)(N(C)c1cccc2c1[nH]c(c2)C=3SC(CC(=O)C=C)CN=3)c4cccs4
+O=S(=O)(N(C1CCCOc2ccccc12)C)CC
+O=S(=O)(N(C1c2c(OCCC1)c(cc(Cl)c2)C)C)CC
+O=S(=O)(N(CC(C)C)Cc1ccc(o1)-c2cccc(c2)S(=O)(=O)C)c3c(cccc3)Cl
+O=S(=O)(N(CC(C)C)Cc1sc(cc1)-c2cc(S(=O)(=O)C)ccc2)c3c(C)ccc(c3)F
+O=S(=O)(N(COC)c1c(ncc(c1)Cl)Br)c2cc(c(cc2)Cl)CC
+O=S(=O)(N(Cc1cc(Cl)c(cc1)-c2ccc(cc2)N3C(c4c(OCC3)ncnc4N)=O)C)C
+O=S(=O)(N(Cc1cc(Cl)c(cc1)C(F)(F)P(O)(O)=O)Cc2ccccc2)c3c(C(=O)N)cccc3
+O=S(=O)(N(Cc1cc(Cl)cc(CN(S(=O)(=O)c2cnccc2)CC(C)C)c1)CC(C)C)c3c(c(Cl)cc(Cl)c3)O
+O=S(=O)(N(c1c(cc(Cl)cc1)[N+]([O-])=O)C2CC2)c3ccc(cc3)C
+O=S(=O)(N(c1c(ncc(c1)Br)NC)C)C
+O=S(=O)(N(c1c2[nH]c(cc2ccc1)C=3SC(CN=3)CC(=O)Nc4[nH]nnn4)C)c5ccccc5OC
+O=S(=O)(N(c1c2c(ccc1)cc(C(=O)OCC)n2COC)C)c3sccc3
+O=S(=O)(N(c1c2c(nccc2)c(O)c(n1)C(=O)NCc3ccc(F)cc3SC)C)c4ncn(C)c4
+O=S(=O)(N(c1cccc2cc([nH]c12)C=3SC(CN=3)(C)CCOS(=O)(=O)C)C)c4cccs4
+O=S(=O)(N)N1CCN(CC1)c2c3c(cnc2)cc(C=C4C(=O)NC(=O)S4)o3
+O=S(=O)(N)Nc1c(c(S(C)=O)ccc1)C#N
+O=S(=O)(N)OCC1C(O)CC(n2ccc3c2ncnc3NC4c5ccccc5CC4)C1
+O=S(=O)(N)c1c(Cl)ccc(C(=O)c2cc[nH]c2)c1
+O=S(=O)(N)c1c(OS(=O)(=O)C)cccc1
+O=S(=O)(N)c1c(c(C)cc(c1)N)OC
+O=S(=O)(N)c1c(cccc1OCCC)I
+O=S(=O)(N)c1cc(Br)cn2c1nc(C)c2
+O=S(=O)(N)c1cc(C)c(-c2ccc(OC)nc2)s1
+O=S(=O)(N)c1cc(CNCC(C)O)c(Oc2cc(c(SC)cc2)C)cc1
+O=S(=O)(N)c1cc(c2OCCOc2c1)C(OC)=O
+O=S(=O)(N)c1cc(ccc1OC)CCN2CCC(CC2)c3oc(-c4ccc(cc4)F)c(COC)n3
+O=S(=O)(N)c1ccc(NC2CCN(CC#N)C2)c(c1)[N+]([O-])=O
+O=S(=O)(N)c1ccc(Oc2ccc(cc2F)F)c(I)c1
+O=S(=O)(N)c1ccc2N(CCc2c1)CC3CCCCC3
+O=S(=O)(N)c1cccc(C#CCOCCCCCCCBr)c1
+O=S(=O)(N)c1ccccc1SCCOC
+O=S(=O)(N)c1n(nc2cccc(OCCF)c12)C
+O=S(=O)(N1C(C)CCC(NC(C(NC(=O)c2occc2)CC3CCCCC3)=O)C(O)C1)c4ncccc4
+O=S(=O)(N1C(CSCC1)CCNC(=O)C(NC(=O)c2cc3ccccc3s2)CC(C)C)c4c(cc(cc4)Cl)Cl
+O=S(=O)(N1CC(Nc2c(C(=O)N)cnn3c2cc(Br)c3)C(C)C1)C
+O=S(=O)(N1CC(Nc2sc3cc(ccc3n2)Oc4cc(ncc4)-c5cnn(C)c5)CCC1)C6CC6
+O=S(=O)(N1CCC(CC1)c2[nH]c3c(ccc(-c4c[nH]c5c4ccc(c5)F)c3)n2)C
+O=S(=O)(N1CCC(CC1)c2n[nH]c3c(C(=O)N)cc(cc23)-c4cccc(CO)c4)CCCN5CCCC5
+O=S(=O)(N1CCCC1)Nc2c(c(C(c3c4c(ncc(F)c4I)[nH]c3)=O)c(cc2)F)F
+O=S(=O)(N1CCCNCC1)c2c3ccnc(c3ccc2OC)Cl
+O=S(=O)(N1CCCc2ccccc12)c3cc(N4C(=O)Nc5cccc(C(=O)N)c5C4=O)c(Cl)cc3
+O=S(=O)(N1CCN(CC1)Cc2cc3c(o2)C(c4cc(ncc4)NC(c5ccccc5)C)=CN(C)C3=O)C
+O=S(=O)(N1CCN(CC1)Cc2sc3c(c(N4CCOCC4)nc(-c5c6c[nH]nc6ccc5)n3)c2)C
+O=S(=O)(N1CCN(CC1)c2cnc(cc2)N3CCNc4ccccc34)C5CC5
+O=S(=O)(N1CCOCC1)c2cc(ccc2)C(NN=C(c3c(F)c(Cl)ccc3)C)=O
+O=S(=O)(N1CCOc2ccc(cc12)C(Nc3ccc(cc3)-c4[nH]nnn4)=O)c5cc(Cl)ccc5OC
+O=S(=O)(N1Cc2c(CC1)c(ncc2)Nc3cc(-c4cc5ccccc5cn4)c(C)cc3)C
+O=S(=O)(N1c2c(F)cc(Br)cc2CC1)CC
+O=S(=O)(N1c2ccccc2CCC1)c3cc(ccc3)N4C(=O)Nc5csc(c5C4=O)-c6nnn[nH]6
+O=S(=O)(NC(=O)CC)c1ccccc1-c2ccc(cc2)CC3=C(CCCC)N=C(N(c4ncc(cn4)OC)C3=O)C
+O=S(=O)(NC(=O)c1c(cc(COc2cc(c(C#N)cc2)Cl)c(F)c1)F)N(C)C
+O=S(=O)(NC(=O)c1cc(c(COc2cc(c(cc2)Cl)Cl)cc1F)Cl)N3CCC3
+O=S(=O)(NC(=O)c1ccc(-c2ccccc2)nc1N3CC(C)CC3(C)C)c4c(nccc4)O
+O=S(=O)(NC(=O)c1ccc(c(-c2c(nccc2)OC)c1)Oc3ccccc3)C
+O=S(=O)(NC(C)CNCCCO)c1ccccc1[N+]([O-])=O
+O=S(=O)(NC(C1(CC1)c2ccc(cc2)-c3ccc(cc3)-c4onc(C)c4Nc5cccc(n5)-c6ccccc6)=O)C
+O=S(=O)(NC(C1CN(C1)c2c(C#N)cc(c(CC)n2)C(=O)OCC)=O)Cc3ccc(F)cc3F
+O=S(=O)(NC(C=Cc1c(Oc2ncc(Cl)cc2Cl)cc(OCCOC)cc1)=O)CCCCC
+O=S(=O)(NC(C=O)CC(O)=O)c1c(OCCc2cccc3ccccc23)cc(NC(=O)C)cc1
+O=S(=O)(NC(c1ccc2c(C(C)(C)CC(N2)c3cc(C#N)ccc3)c1)=O)C
+O=S(=O)(NC(c1ccc2n(c(-c3ccc4n(c5c(cccc5)c4c3)CC)nc2c1)CCOC)=O)C
+O=S(=O)(NC)c1ccc(c(C(OC)=O)c1)OC
+O=S(=O)(NC1C2C(OC1)C(CO2)Nc3c(Cl)cnc(n3)Nc4cn(C)nc4)C
+O=S(=O)(NC1CC1)c2c(F)ccc(NC(c3ccc(F)c(c3)F)=O)c2
+O=S(=O)(NC1CCC2(CC1)C(C(c3cc(ccc3)C)=C(c4cn5ncnc5cc4)O2)=O)C
+O=S(=O)(NC1CCCCC1)c2cc(ccc2Cl)-c3c(C(=O)C(=O)NC)c4c([nH]3)cccc4
+O=S(=O)(NC1CCN(C#N)C1)c2cc([N+](=O)[O-])ccc2Br
+O=S(=O)(NC1Cc2c(cc(cc2)-c3cccc(CNC(=O)C)c3)C1)C(C)C
+O=S(=O)(NC=1C(Nc2c(F)cc(I)cc2)=C(C(N3CCOC=13)=O)C)C4(CC4)CCCO
+O=S(=O)(NCC(C)(C)CN)c1cccc2c1ccnc2
+O=S(=O)(NCC(C)Oc1ccc(cc1)Br)C(C)C
+O=S(=O)(NCC1=CC(=O)C(=CO1)O)c2cc(C)ccc2
+O=S(=O)(NCC1=CC(C(=C(C(O)=O)N1C)O)=O)c2cccc(C)c2
+O=S(=O)(NCCCCC)NC(=O)C=Cc1c(C)nn(C)c1-n2ccc3cc(ccc23)Cl
+O=S(=O)(NCCCc1scc(C(OCC)=O)n1)C
+O=S(=O)(NCCOc1ccc2ccccc2c1)C=C
+O=S(=O)(NCCc1c(OCC(=O)NCC(OCC)=O)cc(C(C)C)cc1)c2c(OC)ccc(C#N)c2
+O=S(=O)(NCCn1c(nc2c(ncnc12)N)Sc3cc(OC)ccc3I)C
+O=S(=O)(NCc1cc(cnc1)-c2c(Cl)cc3N(C(=O)CCc3c2)C)CC
+O=S(=O)(NCc1cccc(CC(=O)OCC)c1)C
+O=S(=O)(NCc1ccccn1)c2cccc(c2)C=O
+O=S(=O)(NO)c1cc2c(CCN2C(=O)C)cc1Br
+O=S(=O)(Nc1c(OCc2ccccc2)ccc(C(C(N)C)O)c1)C
+O=S(=O)(Nc1c(c(-c2c(-c3nc(S(=O)C)ncc3)sc(n2)C4CC4)cc(Cl)c1)F)C
+O=S(=O)(Nc1c(c(C(c2c[nH]c3c2cc(cn3)-c4ccc(C(NCC)=O)nc4)=O)c(cc1)F)F)CCC
+O=S(=O)(Nc1c(c(c(Cl)cc1)C(=O)Nc2cnccc2)F)CCC
+O=S(=O)(Nc1c(cc(cc1)Cl)C(=O)c2ccncc2)c3cc(C#N)ccc3
+O=S(=O)(Nc1c(cc(cc1Oc2c(c(ccc2)NS(=O)(=O)CC)C)F)Nc3ccc(I)cc3F)C4CC4
+O=S(=O)(Nc1c(ccc(c1)Cl)SCc2cn(cn2)CCC)c3oc4c(c3)cccc4
+O=S(=O)(Nc1c(cccc1)-c2ccncc2)C
+O=S(=O)(Nc1c(cccc1)S(=O)(=O)Nc2ccc(cc2)OC)c3sccc3
+O=S(=O)(Nc1c2c(c(Br)sc2nc(C)c1C(=O)OCC)C)c3cccc(Cl)c3
+O=S(=O)(Nc1c2c(ccc1)cccc2)c3cccc(C=CC(NO)=O)c3
+O=S(=O)(Nc1c2c(ccc1OC)C(CCC2)C=3NCCN=3)C
+O=S(=O)(Nc1c2cc(Cl)c(cc2on1)COc3cc(c(cc3)F)Cl)C
+O=S(=O)(Nc1c2ncccc2ccc1)c3c(N)cc(F)c(c3)C
+O=S(=O)(Nc1cc(F)ccc1SCc2ccccc2C(=O)O)c3cc4c(s3)cccc4
+O=S(=O)(Nc1cc(N2CCN(CC2)C)ccc1Br)c3ccc4ccccc4c3
+O=S(=O)(Nc1cc(Nc2c(cc(cn2)OCCOC)-c3nc(nc(N)n3)C)cnc1C)C
+O=S(=O)(Nc1cc(O)c(cc1)C(OCCCO)=O)c2cc(c(Cl)s2)-c3cccc(OC)c3F
+O=S(=O)(Nc1cc(OC(OCC)=O)ccc1OC)C
+O=S(=O)(Nc1cc(c(cc1)F)C(=O)c2c[nH]c3ncc(cc23)Br)CCC
+O=S(=O)(Nc1cc(ccc1)-c2nn3c(cc2)nc(NC(C)=O)c3)c4cccc5c4ccnc5
+O=S(=O)(Nc1cc2c(CC(=O)O)c[nH]c2cc1)C
+O=S(=O)(Nc1cc2c(cc1)nc(cc2)NCc3c(OC)cccc3)NC4CC4
+O=S(=O)(Nc1ccc(C(OC)=O)c(c1)O)c2cc(ccc2)-c3cc(OCC)ccc3
+O=S(=O)(Nc1ccc(c(NC(=O)c2c3c(ccc2)c(ncn3)N)c1Cl)Cl)CCC
+O=S(=O)(Nc1ccc(c(c1)O)C(=O)OCC(CC)OC)c2cc(c(Cl)s2)-c3c(O)ccc(F)c3
+O=S(=O)(Nc1ccc(c2c(c[nH]c12)C#N)C)c3cccc(c3)C#N
+O=S(=O)(Nc1ccc(cc1)-c2cn(C(C)C)c3ncnc(N)c23)c4ccccc4
+O=S(=O)(Nc1ccc(cc1Sc2ccc(F)cc2F)C(=O)NCC)C
+O=S(=O)(Nc1ccc2c(cc(cc2)Oc3ccnc4cc(c(OC)cc34)OC)c1)c5cc(ccc5)C
+O=S(=O)(Nc1ccc2c(cccc2)c1)c3cc(ccc3)C=CC(NO)=O
+O=S(=O)(Nc1cccc(N2C=3N(C)C(C=C(OS(=O)(=O)c4ccc(cc4)C)C=3C(N(C5CC5)C2=O)=O)=O)c1)C
+O=S(=O)(Nc1cccc(Oc2cc(F)cc(Nc3c(F)cc(cc3)I)c2C(N)=O)c1)N(C)C
+O=S(=O)(Nc1cccc(c1)-c2n[nH]cc2-c3nc(N)ncc3)c4cc(ccc4F)F
+O=S(=O)(Nc1cccc(c1)C2=CN(C)C(c3ccc(cc23)-c4ccccn4)=O)CC
+O=S(=O)(Nc1cccc(c1C)OC=2C(=C(Nc3ccc(cc3F)I)N(C)C(=O)C=2Cl)C(N)=O)CC
+O=S(=O)(Nc1cccc(c1F)C=O)c2c(F)ccc(c2)F
+O=S(=O)(Nc1cccc2c(c[nH]c12)C3(CC)c4ccc(cc4CC3)F)CC
+O=S(=O)(Nc1ccccc1C(c2ccccc2)=O)c3ccc(cc3)NC(c4ccccn4)=O
+O=S(=O)(Nc1ccccc1OC)c2cc(C=CC(=O)Cl)ccc2
+O=S(=O)(Nc1ccncn1)c2ccc(c(F)c2F)OC3CCCC3c4ccnn4C
+O=S(=O)(Nc1cncc(Cl)c1O)c2cc(c(nc2)OC)C#N
+O=S(=O)(Nc1cncc(c1)-c2sc(cc2)-c3cc4c(cc3)C(N(C)C4)=O)c5cccc(Cl)c5
+O=S(=O)(Nc1nc(OCCCCN2CCc3c(cccc3)C2)ccc1)CC
+O=S(=O)(Nc1nccs1)c2ccc3N(c4ccccc4C(O)CO)CCOc3c2
+O=S(=O)(Nc1onc(CC)c1Br)c2ccccc2
+O=S(=O)(OC(c1cc2c(nc1C(OC)OC)N(C(Nc3ncc(C#N)c(NCCOC)c3)=O)CCC2)C)C
+O=S(=O)(OC1CN(C1)c2c(c3c(C(C(=CN3C4CC4)C(O)=O)=O)cc2F)F)C
+O=S(=O)(OC1c2c(cccn2)CCCC1)C
+O=S(=O)(OCC1CNC(=O)CO1)c2ccc(cc2)C
+O=S(=O)(OCCCCCCCn1c2nc(nc(N)c2nc1Cc3cc4c(cc3I)OCO4)F)N
+O=S(=O)(OCCn1c2c(nc1CCC)c(C)cc(c2)Br)C
+O=S(=O)(OCCn1c2cc(-c3ccccc3)cc(C)c2nc1CCC)C
+O=S(=O)(OCc1c(OC)ccc(I)c1)C
+O=S(=O)(OCc1c2ccccc2cc(Br)c1)C
+O=S(=O)(OCc1ccc(C(OC)=O)cc1C)C
+O=S(=O)(OCc1nc(C)c(cc1)[N+]([O-])=O)C
+O=S(=O)(Oc1c(-c2ccccc2)cc(cc1)C(=O)c3c(Cl)cccc3)c4cc(O)c(cc4)C(O)=O
+O=S(=O)(Oc1cc(C)cc(OCCC=O)c1)c2cccc3nsnc23
+O=S(=O)(Oc1cc(OCCC=O)cc(C)c1)c2c([N+]([O-])=O)cccc2
+O=S(=O)(Oc1ccc(cc1)OCCCc2ccc(cc2)OCc3ccccc3C(=O)O)C
+O=S(=O)(Oc1ccc(cc1)OCCc2ccc(cc2)CC(C(O)=O)OCC)C
+O=S(=O)(Oc1ccc2c(OC(CNC)CO2)c1)C
+O=S(=O)(c1[nH]nc2c(OC(CCl)CCl)cccc12)c3cccc4ccccc34
+O=S(=O)(c1c(-c2ccccc2)c(cc(c1)C(O)=O)NCC=CC)N
+O=S(=O)(c1c(C)cc(cc1C)OC)N2CCCCC2COCC(O)=O
+O=S(=O)(c1c(CN2c3nc(S(=O)C)ncc3C=CC2=O)cccc1)CC
+O=S(=O)(c1c(CNC(C2CCN(CC)C2)=O)cc(cc1)F)Nc3c(c4OCC5CC5c4cc3)C(O)=O
+O=S(=O)(c1c(Cc2c(C)cc(C)cc2)sc3c1cccn3)Nc4onc(C)c4Cl
+O=S(=O)(c1c(Cl)cc(NCc2occc2)c(C(OCCCOC(=O)CCC(OCCl)=O)=O)c1)N
+O=S(=O)(c1c(Cl)ccc(Cl)c1)Nc2ccc(c(c2)-c3nc4cc(-c5ccc(cc5)OC(C)C)ccc4o3)Cl
+O=S(=O)(c1c(F)cc(-n2c(cc(n2)C(F)F)-c3cc(Cl)c(cc3)C)cc1)N
+O=S(=O)(c1c(F)cc(c(F)c1)OC2C(c3n(ncc3)CC)CCC2)N(c4ccncn4)Cc5ccc(cc5OC)OC
+O=S(=O)(c1c(F)ccc([N+]([O-])=O)c1)NC
+O=S(=O)(c1c(O)c(Cl)cc(c1)Cl)N(Cc2ccc(cc2)CNCc3ccc(cc3)F)Cc4ccc(cc4)F
+O=S(=O)(c1c(OC(C)C)ccc(-c2ccc(C(NC)=O)c(c2)Cl)c1)NC(Cc3c[nH]c4c3cccc4)CO
+O=S(=O)(c1c(OC)ccc(Br)c1)Nc2cc(C(NC)=O)cnc2
+O=S(=O)(c1c(OC)cccc1)Oc2cc(C)cc(OCCC=O)c2
+O=S(=O)(c1c(SC)sc(c1)C(=N)N)c2cccc(c2)-c3c(cccc3C)COCCC(O)=O
+O=S(=O)(c1c(c(Cl)ccc1)Cl)Nc2c(nc(cn2)C#N)OCc3cnccc3
+O=S(=O)(c1c(c(cc(c1)F)N2CCCCC2=O)OC)Cl
+O=S(=O)(c1c(ccc(Cl)c1)F)Nc2ccc(cc2)-c3nc4[nH]ncc4c(n3)OC5CCC(CC5)O
+O=S(=O)(c1c(ccc(NC(=O)Nc2c(cccc2)Cl)c1O)Cl)NCC
+O=S(=O)(c1c(ccc(c1)[N+](=O)[O-])Oc2cc(ccc2Cl)Cl)N3CCNCC3
+O=S(=O)(c1c(cccc1C)Cl)Nc2c(Cl)ncc(c2)-c3ccc4nc(sc4c3)NC
+O=S(=O)(c1c2c(ccc1)cccc2)c3c4c(n(Cc5cc(ccc5)Cl)n3)ccc(c4)N6CCN(CC6)C
+O=S(=O)(c1c2c(cccc2[N+](=O)[O-])c(c(CCO)c1)Br)N
+O=S(=O)(c1c2cccc(OCCCCl)c2n(Cc3cccc(Cl)c3)n1)c4cccc5ccccc45
+O=S(=O)(c1cc(-c2[nH]c3c(Cl)cccc3c2CC(O)=O)ccc1Cl)NC4CCCCC4
+O=S(=O)(c1cc(-c2c(c3c([nH]2)cccc3)CC(=O)O)ccc1Cl)Cc4cc(Cl)ccc4
+O=S(=O)(c1cc(-c2c(nc(NC(=O)NCC)s2)C)ccc1OC)N
+O=S(=O)(c1cc(-c2c3cccnc3[nH]n2)[nH]c1)NCCN4CCOCC4
+O=S(=O)(c1cc(Br)cc(c1)OCCCCCCc2cccc(OCCCC(OCC)=O)c2CCC(OCC)=O)C
+O=S(=O)(c1cc(C#N)cc([N+](=O)[O-])c1)NC
+O=S(=O)(c1cc(C(=NO)N)ccc1O)NCCc2c(OCC(=O)O)cc(cc2)-c3ccccc3S(=O)(=O)C
+O=S(=O)(c1cc(C(=O)N2CCC(Oc3ccc4ccccc4c3)C2)c(cc1)OC(C)C)C
+O=S(=O)(c1cc(C(C)C)c(Cl)cc1)Nc2cc(Cl)cnc2C(c3c4cc[nH]c4ncc3)=O
+O=S(=O)(c1cc(C(OC)=O)c(O)cc1)C2CC2
+O=S(=O)(c1cc(C)c(cc1)N2CN(c3ccccc3)CC2=O)N
+O=S(=O)(c1cc(N)ccc1)Nc2cccc(c2)C(NC(=O)c3ccccc3)CC(OCC)=O
+O=S(=O)(c1cc(Nc2c3c(CNC3=O)cc(NC4C(N)CCC4)n2)ccc1)C
+O=S(=O)(c1cc(S(=O)(=O)c2ccccc2)ccc1CCC)NCCc3ccccn3
+O=S(=O)(c1cc([N+]([O-])=O)c(C(=O)O)cc1F)CC
+O=S(=O)(c1cc(c(-c2cc(Cl)ccc2C#N)cc1)OC)CC
+O=S(=O)(c1cc(c(Cl)cc1)C)Nc2c(C(c3c(cccc3C)OC)=O)ncc(Cl)c2
+O=S(=O)(c1cc(c(OCC2CC2)cc1)C3=CN(C(C=4CCCCC3=4)=O)C)C
+O=S(=O)(c1cc(c(OCc2ccc(cc2)OC)cc1)C(O)=O)N
+O=S(=O)(c1cc(c(Oc2cc(ccc2CCc3nnn[nH]3)Cl)cc1)Cl)C
+O=S(=O)(c1cc(c(cc1)F)Cl)N(c2ncc(cc2)F)Cc3ccc(cc3OC)OC
+O=S(=O)(c1cc(c(cc1)OC2CCC(CC2)N)C3=CN(C(c4ccccc34)=O)C)C
+O=S(=O)(c1cc(cc([N+](=O)[O-])c1)NC(CNC(CC)CO)=O)C
+O=S(=O)(c1cc(cc(c1)Cl)N)NC
+O=S(=O)(c1cc(ccc1)C(O)CC#N)NC2CCCCC2
+O=S(=O)(c1cc(ccc1)C)N2CCCc3ncc(cc23)NC(C(C)c4ccccc4)=O
+O=S(=O)(c1cc(ccc1)Cl)Nc2cc(nc3sc(C#CCN4CCOCC4)c(c23)-c5cc(ccc5)OC)C
+O=S(=O)(c1cc(ccc1)Cl)c2cc(CC(=O)OC)cc(c2)OC
+O=S(=O)(c1cc(cnc1)-c2c(c(C(=O)C)cc(Cl)c2F)O)C
+O=S(=O)(c1cc2CCCN(C)c2cc1)Cl
+O=S(=O)(c1cc2OC(CNCCOC)COc2c(c1)F)C
+O=S(=O)(c1cc2c(Br)cnn2cc1)N(C3CC3)c4ccc(C#N)cn4
+O=S(=O)(c1cc2c(CC(NC(=O)C)C2)cc1)N
+O=S(=O)(c1cc2c(Nc3cccc(c3F)F)c(C(N)=O)nnc2c(c1)C)C
+O=S(=O)(c1cc2c(OCCC2CNC(N3CC(=C(CC)C3=O)C)=O)cc1OCC)NC(=S)NCC
+O=S(=O)(c1ccc(-c2sc(nc2C)NC(=O)NCCc3ncc(o3)CC)cc1F)C
+O=S(=O)(c1ccc(C)cc1N)Nc2cc(OC)cc3cccnc23
+O=S(=O)(c1ccc(C2=Cc3c(nc(nc3)NCCC4CCN(CC4)C)N(CC)C2=O)c(c1)C)N(C)C
+O=S(=O)(c1ccc(F)cc1Br)Nc2c(c3nc4n(c3cc2)CCC4)C(OC)=O
+O=S(=O)(c1ccc(F)cc1CCCN(CC)CC)Nc2ccc3c(ncc4occc34)c2C(=O)O
+O=S(=O)(c1ccc(N2CCC(C2)OC)nc1)Cl
+O=S(=O)(c1ccc(O)c(Cc2cc(Cl)ccc2OCC(=O)OC)c1)C
+O=S(=O)(c1ccc(c(Cl)c1)Cl)n2c(c(c3c2nccc3)C(C(=O)O)C)C
+O=S(=O)(c1ccc(c(c1)C(=O)O)Cl)N2CCC(CC2)CCl
+O=S(=O)(c1ccc(c(c1)CN(CC)C(=O)OCc2ccccc2)O)C
+O=S(=O)(c1ccc(c(c1)F)F)n2c(cc(c2)C=O)-c3ccccn3
+O=S(=O)(c1ccc(c(c1)OC)-c2cc(ccc2F)-c3c4c(nnc3)n(cn4)CC)CC
+O=S(=O)(c1ccc(cc1)-c2cn(c3c2c(ncc3)O)C(CC)COC)N
+O=S(=O)(c1ccc(cc1)-c2cnc(nc2)CC)Nc3c(F)c(F)c(c(c3F)F)C(O)=O
+O=S(=O)(c1ccc(cc1)-n2cc3CCN(CCc3n2)C4CCC4)C
+O=S(=O)(c1ccc(cc1)C#Cc2ncccc2)NCc3ccnc4c3cccc4
+O=S(=O)(c1ccc(cc1)C(C=Cc2cc(-c3[nH]c4ccccc4c3)c(OC)cc2OC)=O)NCC(=O)O
+O=S(=O)(c1ccc(cc1)C)N(CC)c2ccc(cc2[N+](=O)[O-])F
+O=S(=O)(c1ccc(cc1)C)N2C(CC(=O)NCCc3ccc(cc3)CN4CCCCC4)C(NC=C2)=O
+O=S(=O)(c1ccc(cc1)C)Nc2ccc3c(c(c[nH]3)CCCN4CCN(CC4)c5c(OC)cncn5)c2
+O=S(=O)(c1ccc(cc1)C)OC(C)CCOc2cc(ccc2)CC(=O)OC
+O=S(=O)(c1ccc(cc1)C)OC(CC=Cc2cncc(c2)OC(C)C)C
+O=S(=O)(c1ccc(cc1)C)n2c3c(c(c(CCNC)cn3)Cl)cc2
+O=S(=O)(c1ccc(cc1)C=O)NC
+O=S(=O)(c1ccc(cc1)CN(Cc2ncc[nH]2)Cc3nccn3C)NCCCCN(C)C4CCCCC4
+O=S(=O)(c1ccc(cc1)Cc2ccc(cc2)N)N(C)C
+O=S(=O)(c1ccc(cc1)Cl)C(c2c(F)ccc(F)c2)c3c(cnc(NS(=O)(=O)C)c3)C
+O=S(=O)(c1ccc(cc1)Cl)N(Cc2ccc(cc2)C(=O)NC(C)COC)C3C(CCCC3)C
+O=S(=O)(c1ccc(cc1)Cl)N2C3Cc4c(cnn4CCO)C2CCC3
+O=S(=O)(c1ccc(cc1)N2CCOCC2)Nc3ccsc3C(O)=O
+O=S(=O)(c1ccc(cc1)NC(=O)C=C)NC2CCN(CC2)C(=O)OCc3ccccc3
+O=S(=O)(c1ccc(cc1)NC(=O)Nc2cccc(C(=N)OC)c2)NCc3c(c(ccc3F)F)F
+O=S(=O)(c1ccc(cc1)NC(OCc2ccccc2)=O)N3CCC(CC3)NC(=O)C=C
+O=S(=O)(c1ccc(cc1)NC(c2ccccn2)=O)Nc3c(cccc3)Cl
+O=S(=O)(c1ccc(cc1)OC)N2C(c3c(cccc3)-c4ccc(cc24)Cl)C
+O=S(=O)(c1ccc(cc1)OC)Oc2cc3n(nc(-c4ccccc4)c3C5=NN(C(C=C5)=O)C(C)C)cc2
+O=S(=O)(c1ccc(cc1)OC)c2c(cc(cc2Cl)Nc3nnc(N)[nH]3)Cl
+O=S(=O)(c1ccc(cc1CC2CCN(CC2)CC)F)Nc3c(c4OCC5CC5c4cc3)C(O)=O
+O=S(=O)(c1ccc(cc1Cl)Cl)Nc2cc(Cl)c(c(c2)Cl)Oc3cnc4ccc(cc4c3)C(=O)O
+O=S(=O)(c1ccc(s1)-c2cc(c(O)nc2C)CC)NCC(O)c3ccccc3
+O=S(=O)(c1ccc2NC(=O)C(c2c1)=Cc3c(C)c(C(=O)NCCN4CCCC4)c(C)[nH]3)Nc5cnccc5
+O=S(=O)(c1ccc2c(CC(N2)=O)c1)N3c4c(CCC3)cccc4
+O=S(=O)(c1ccc2ncnc(Nc3cc(ccc3)C#C)c2c1)n4cc(C=CC(=O)NO)cc4
+O=S(=O)(c1cccc(-c2c3c(c(C(=O)N)nc2)[nH]c4c3cc(cn4)C)c1)CC
+O=S(=O)(c1cccc(-c2ccc(c3[nH]c(C)c(c23)C)C(N)=O)c1)C=C
+O=S(=O)(c1cccc(-c2ncn(-c3nc(-c4ccc(c(c4)Cl)Cl)cc(C)n3)c2)c1)N
+O=S(=O)(c1cccc(C2CCN(CC2)CCC)c1N)C
+O=S(=O)(c1cccc(O)c1)N2C(c3ccccc3-c4c2cc(F)cc4)C
+O=S(=O)(c1cccc(c1)C)NC2=CC=C(N(C2=O)CC(O)=O)C(C)C
+O=S(=O)(c1cccc2ccccc12)c3n[nH]c4ccc(OCCCN)cc34
+O=S(=O)(c1cccc2cnccc12)Oc3cc(C)cc(c3)OCCCON
+O=S(=O)(c1ccccc1)C(C#N)=Cc2ccnc(-c3ncn(Cc4c(cccc4)Cl)c3)c2
+O=S(=O)(c1ccccc1)CCCc2c(c(nn2CCCC)C#N)-c3c(cccc3)N
+O=S(=O)(c1ccccc1)Nc2cc(ccc2Cl)-c3[nH]c4ccccc4c3CC(=O)O
+O=S(=O)(c1ccccc1)Nc2cc3c(n(c(C(C)(C)CC)n3)CC4CCCCC4)cc2
+O=S(=O)(c1ccccc1)Nc2cncc(-c3ccc4c(c(Oc5cnccc5)ncn4)n3)c2
+O=S(=O)(c1ccccc1)c2cc3c(cc2)C(CCC3)CN=C(N)N
+O=S(=O)(c1ccccc1)n2c(C(O)=O)cc3ccccc23
+O=S(=O)(c1ccccc1-c2c(C(=O)OC)cc3ncc(F)cc3n2)C
+O=S(=O)(c1ccccc1C)NC(=O)c2cc(c(Cc3c4c(ccc3)ccc(C(NCC(CC)CC)=O)c4)cc2)OC
+O=S(=O)(c1ccccc1C)NC(c2cc(OC)c(cc2)Cn3ccc4ccc(CCC(NCCC)=O)cc34)=O
+O=S(=O)(c1ccccc1[N+](=O)[O-])N(CCC)CCCn2c3c(c4c5c(C(CC5)=O)ccc24)cc(cc3)C(=O)C
+O=S(=O)(c1cnc(Oc2cc3cc(C(=S)N)[nH]c3c(OC(COC)COC)c2)cc1)C
+O=S(=O)(c1cnc(cc1)-c2cnc(c(-c3sc4C(NCCc4c3)=O)c2)N)N(C)CC
+O=S(=O)(c1cnc(cc1)OCCC2C(C3CCN(CC3)c4onc(n4)COC)C2)C
+O=S(=O)(c1cnc(cc1)OCCC2CC2C3CCN(CC3)C(OCC4CC4)=O)C
+O=S(=O)(c1cncc(-c2nc3c(-c4cc5c(o4)cccc5)ccnc3cc2)c1)Nc6ccc(cc6F)F
+O=S(=O)(c1cnccc1)N2CC(C(NC(=O)C(NC(c3cc4c(cccc4)o3)=O)CC(C)C)CCC2)O
+O=S(=O)(c1cnccc1)N2CCN(CC2)c3nc4c(c(Nc5cc(cnc5)N6CCOCC6)c3C)c(cc(F)c4)F
+O=S(=O)(c1n(CC(=O)NC2C3N(C2=O)C(C(=O)O)=C(CSc4nnnn4C)CS3)ccn1)C
+O=S(=O)(c1n(CC(=O)NC2C3SCC(COC(C)=O)=C(C(O)=O)N3C2=O)ccn1)C
+O=S(=O)(c1nc(cc(n1)-c2cnc(N)c(Cc3ccccn3)c2)N4C5CC(C4)OC5)C
+O=S(=O)(c1nc(ccc1)-c2ccc3c(c2)C(=NNc4nc5c(s4)cccc5)CCC3)NC(C)=O
+O=S(=O)(c1nc(ccc1C2CC2)C(NC(CC)(CC)C(NC)=O)=O)CC(C)C
+O=S(=O)(c1nc2nc(cc(n2n1)OC)C)Nc3c(ccc(C)c3Cl)Cl
+O=S(=O)(c1ncc(Oc2cc(cc(-c3ccc(C=4OCC(C(C)O)N=4)[nH]3)c2)OC(C)CO)cc1)C
+O=S(=O)(c1ncccc1)N(C)c2cc(OCCOC)cc3c2[nH]c(C(NCC(C(OC)OC)SCc4ccccc4)=O)c3
+O=S(=O)(c1sc(C)cc1)Nc2nn(Cc3ccc(OC)c(c3)F)c4cccc(OC)c24
+O=S(=O)(c1sc(cc1)Cl)NC(C2CCN(CC2)c3c(c(S(C)=O)c(-c4oc(CC)cn4)cn3)Cl)=O
+O=S(=O)(c1sc2c(c1)cc(CO)cc2)N
+O=S(=O)(c1sccc1)N(C)c2ccc(Cl)c3cc(C(OCC)=O)n(COC)c23
+O=S(=O)(c1sccc1)N(c2cc3c4c([nH]c3cc2)nccc4Cl)C
+O=S(=O)(n1c(-c2ccccc2)cc(C=O)c1)c3cc4c(ncs4)cc3
+O=S(=O)(n1c2c(cc1)c(ccc2)C=O)c3sccc3
+O=S(=O)(n1c2nc(Cl)nc(c2c(I)c1)NCc3ccccc3)c4ccc(cc4)C
+O=S(=O)(n1cc(C=O)cc1-c2ccccc2)c3ccc(OC)nc3
+O=S(=O)(n1cc(CNC)cc1Br)c2ccccc2
+O=S(Cc1c(F)cccc1Cl)c2[nH]c3c(cncc3)n2
+O=S(Cc1cc(OC)ccn1)c2[nH]c3cc(F)c(-n4ccnc4)cc3n2
+O=S(c1[nH]c2cc(C)c(C(=O)C)cc2n1)Cc3nccc4OCOc34
+O=S1(=O)CC(CC1)COc2c3ccn(-c4nc(ncc4)SCCC)c3ccc2
+O=S1(=O)CC2(CC(C2)n3c4ccc(Cl)cc4nc3CN5C(=O)C6(CC6)c7ccncc57)C1
+O=S1(=O)CCC(N)C(Nc2cc(c(nc2)C#N)Nc3cc(OC)cc(C)n3)C1
+O=S1(=O)CCC(c2c1c(cc(c2C)C(OC3=CC(=O)CCC3)=O)C)OC(c4ccccc4)=O
+O=S1(=O)CCCC(c2c3cc(-c4ccoc4)cc(c3[nH]c2)C(=O)N)C1
+O=S1(=O)CCCN1CC23CC4C(CC(C2)C4)(C3)NCC(=O)N5C(C#N)CCC5
+O=S1(=O)CCCN1c2ccc(c(c2)Cl)C(=O)N3CCN(CC3)c4c(C)cc(cn4)C
+O=S1(=O)CCCOc2c1ccc(Oc3cc(cc(C(=O)Nc4cnc(cn4)C)c3)OC(C)CO)c2
+O=S1(=O)CCN(CC1)c2ccc(cc2)-c3nc(-c4cccc(Cl)c4F)oc3C5CCCCC5C(=O)NC6(CC6)C#N
+O=S1(=O)COCCN1c2ccc(c(c2)Cl)C(Nc3ccc(Cl)c(-c4ccc5ncccc5n4)c3)=O
+O=S1(=O)Cc2cc(ccc2N1C)-c3c4c(ccc(C(NC)=O)n4)cnc3
+O=S1(=O)N(C(c2ccc3c(c2N1)nccc3)c4ccc(cc4C)F)C
+O=S1(=O)N(C)CC(=NO)c2n(ccc12)CCCCN3CCC(CC3)C(=O)c4ccc(cc4)F
+O=S1(=O)N(CCCNC)c2ccccc2N1c3ccc(cc3C)F
+O=S1(=O)N(c2c(ncc(-c3ccnc(NC(=O)C)c3)c2)C)CC(N(C)C)C1
+O=S1(=O)N(c2cc(ccc2)-c3cc4c(CC(NS(=O)(=O)C(C)C)C4)cc3)CCC1
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(OC(C)C(O)=O)ccc13)C
+O=S1(=O)N(c2ccc(cc2)Cl)C(=O)N(c3cc(ccc13)OCC(=O)O)C
+O=S1(=O)N(c2ccccc2N1CCCBr)c3ccccc3C
+O=S1(=O)N=C2C(c3ccc4c(ccc(c4)OC)c3)CCCN2CC1
+O=S1(=O)NC(=Nc2ccc(cc12)NS(=O)(=O)C)C=3C(N(CCC(C)(C)CC)N=C(C=3O)c4cccs4)=O
+O=S1(=O)Nc2c(-c3c1cc(cc3)C)ccc4c2nccc4
+O=S1(=O)Nc2c(c(ccc2)Br)CN1C
+O=S1(=O)Nc2c(c(ccc2)OCC3CCCCN3C(NCC)=O)C(N)=N1
+O=S1(=O)Nc2c3ncccc3c(N4CCCC4)cc2-c5ccccc15
+O=S1(=O)c2c(C(C)(C)CC1)c(c(cc2C)C(=O)O)Cl
+O=S1(=O)c2c(C(c3ccccc3)NC(CC)(C1)CCCC)cc(c(CCCC#N)c2)OC
+O=S1(=O)c2c(cc(C(=O)c3cnn(CC)c3OS(=O)(=O)CCC)c(C)c2C(C(C)(C)C1)=O)C
+O=S1(=O)c2cc(C=O)ccc2N=C(N1)C=3C(=O)C(CCCC)(CCCC)c4ccc(cc4C=3O)F
+O=S1(=O)c2cc(Cl)ccc2NC(=N1)C3=C(c4c(cccc4)N(CCC(C)C)C3=O)O
+O=S1(=O)c2ccc(-c3ccc(cc3)N4CCCCC4)cc2C=C(C(=O)O)CC1
+O=S1(=O)c2ccc(cc2C(c3c1cc(cc3)C=4NCCN=4)=O)F
+O=[N+]([O-])c1c(Nc2ccc(c(C)c2)C)cc(OCCCCCC(=O)OC)c([N+](=O)[O-])c1
+OB(O)C1=CN(C)C(C(Nc2nn3CCN(Cc3c2)C4COC4)=C1)=O
+OB(O)C=1C=C(Nc2ccc(cn2)C(=O)N3CCOCC3C)C(=O)N(C)C=1
+OB(O)c1c(F)cc(OC)c(OCC)c1
+OB(O)c1c(OC)cc(cc1OCc2ccccc2)-c3oc(cn3)C
+OB(O)c1c(OCCC)c(cc(C(C)C)c1)C(C)C
+OB(O)c1c(ccc(c1)-c2ccc(cc2)Cl)Br
+OB(O)c1cc(cnc1)C(C)(C)OC
+OB(O)c1cc2c(ccc(Cl)c2)o1
+OB(O)c1ccc(C(CF)CO)c(C)c1
+OB(O)c1ccc(CCOC(Nc2cccc(C#N)c2)=O)c(c1)C
+OB(O)c1ccc(OC(C)C)c(c1)OCC
+OB(O)c1ccc(OCCCN2CCCC2)c(F)c1
+OB(O)c1ccc(c(F)c1F)CCCCCCC
+OB(O)c1ccc(c(OC(F)F)c1)Cl
+OB(O)c1ccc(cc1)-c2c3ccccc3c4c(c2)cccc4
+OB(O)c1ccccc1CC(C)C
+OB(O)c1cnc(NC(=O)NCC)cc1-c2nc(cs2)-c3cnn(C)c3
+OC(CN(CC(O)=O)CCNCC(=O)O)=O
+OC(CP(C)(=O)O)CN
+OC12C(C(CC=NOCCN)CC1)(C)CCC3C2CCC4C3(CCC(O)C4)C
+OCC(CO)(C(=O)O)c1cc(-c2[nH]c3cc(ccc3n2)C(=N)N)c(c(-c4c(O)ccc(CNC(=O)N)c4)c1)O
+OCC(CO)(N)CN1CCc2cc(ccc12)OCc3oc4c(c(Cl)cc(Cl)c4)c3
+OCC(CO)(N)c1oc2c(cc(cc2)-c3noc(n3)-c4cc(Cl)c(cc4)OCCC)c1
+OCC(CO)c1ccc(cc1)Oc2ncnc(c2C)OC3CCN(CC3)c4ncccn4
+OCC1COCc2nc3c(N)nc4c(c3n12)cccc4
+OCC1N(CCC1)CCCOc2c(cc3c(Nc4c(cc(c5OCOc45)C#CCOC)Cl)ncnc3c2)OC
+OCCCCCCC(COCCCCCCCCCCCCCCCC)OC
+OCc1sc2n(c1)cnc2
+ON=C(c1ccnc(C)c1)C
+OP(O)(=O)CCOCCOCCOC
+OP(O)(=O)COCC(CO)On1cnc2c(N)ncnc12
+OP(O)(=O)Cc1cc(C=O)ccc1O
+OP(O)(c1ccc2c(n(nc2C(N)=O)CC(=O)N3CC(CC3C(NCc4c(F)c(ccc4)Cl)=O)F)c1)=O
+Oc1c(CNC(NCCO)=O)cccc1
+Oc1c(NC(c2cn3nc(sc3n2)CC)=O)cccc1
+Oc1c(ccc(C=Cc2onc(CCCCCCCC)n2)c1)O
+Oc1cccc(O)c1NC(=O)c2ccccc2
+Oc1ccccc1C(CNC(=S)NC(c2cccc(O)c2)C)O
+S(=O)(C)COc1cccc(CNC)c1
+S(C)(c1cccc(C(=O)O)c1)(=O)=NC(c2cncc(c2)C#Cc3cccc(c3)NC(=O)c4n(nc(C)c4)C)=O
+S(C)c1cc(c(Cl)cc1N)OC
+S(C)c1cc(ccc1Cl)Nc2c3c(n(C4C(C#N)CCOC4)n2)ccnc3O
+S(C1C(CO)OCCC1)CCCCCCCCCCCCCCCC
+S(CC1=C(N2C(=O)C(NC(=O)C(=NOCC)c3csc(N)n3)C2SC1)C(=O)O)c4scnn4
+S(CCN)Cc1oc(cc1)CO
+S(c1cc(ccc1CNC(c2c(O)c3ncccc3c(C(=O)O)n2)=O)F)C
+S(c1ccc2CCCC(=CC#N)c2c1)C
+S(c1ccc2ncc(Cl)nc2c1)C
+S1c2cc(ccc2C=Cc3c1ccc(F)c3)C(=O)O
+S=C1N(CCCN1c2c(Cl)cccc2C)CC
+[N+]([O-])(=O)C([N+]([O-])=O)(C)COCC1OC1
+[N+](c1c(c(Cl)cc(c1C(=O)NCCC)Cl)OC)(=O)[O-]
+[N+](c1cc(c2N(C(Cc2c1)=O)C)F)([O-])=O
+[N-]=[N+]=NC(=O)c1ncc2c(c1)cc(cc2)F
+[N-]=[N+]=NC(CC)CCCCCC
+[N-]=[N+]=NC1CCc2c(C1)c(NC(C)=O)c(cc2Br)[N+]([O-])=O
+[N-]=[N+]=NCC(c1cccc2NC(=O)COc12)=O
+[N-]=[N+]=NCC1OC(=O)N(c2ccc(N3CC(N(CC3)C)=O)c(F)c2)C1
+[N-]=[N+]=NCC1OC(=O)N(c2ccc(N3CC(N(CC3)CC)=O)c(F)c2)C1
+[N-]=[N+]=NCC1OC(=O)N(c2ccc(N3CC(N(CC3)CCOC)=O)c(F)c2)C1
+[N-]=[N+]=NCCCCCC=O
+[N-]=[N+]=NCCN1C(=O)C(CC)(c2cc(ccc2)OC)CCCC1
+[N-]=[N+]=NCc1c(ccc(CC(=O)O)c1)O
+[N-]=[N+]=NCc1cc(c(F)cc1)Oc2cnccn2
+[N-]=[N+]=NCc1cc(nc(C)c1)Br
+[N-]=[N+]=NCc1ccc2c([nH]cn2)c1
+[N-]=[N+]=Nc1cc(Cl)cc(N)c1
+[N-]=[N+]=Nc1cc(O)c(cc1)C(=O)NC(C(C)O)C(=O)NCC
+[N-]=[N+]=Nc1cc(nc2c(ccc(F)c12)F)C
+[O-][N+](c1cc(c(cc1)CO)Sc2ccccc2O)=O
+[nH]1c(-c2n[nH]c3ncccc23)ccc1C(NC)=O
+[nH]1c(nc2c1N(C(N(C2=O)CC)=O)CCCC)Cl
+[nH]1c(nc2cc3C(=O)N(Cc3cc12)C)-c4c(ccnc4O)NC(Cc5cc(ccc5F)F)C
+[nH]1cc(c2c(-c3ccc(C)cc3C)ccnc12)C#N
+[nH]1cc(c2c1cc(Cl)c(c2)-c3cc4OCC(CO)Oc4cc3)C(=O)O
+c1(-c2c(Cl)cnn2C)cc(ccc1OC)NC(Nc3cc([N+]([O-])=O)ccc3)=O
+c1(-c2c(cc3ncoc3c2)Cl)cnc(cc1)NC(c4c(cccc4)Cl)=O
+c1(-c2cc(F)c(cc2)CN)cc(OC)nc(-c3cnn(C)c3)c1
+c1(-c2cc(ccc2)Br)[nH]cnn1
+c1(-c2ccc(Cl)c(c2)CNC(OC)=O)[nH]nnc1
+c1(-c2ccccc2O)nc3ccccc3c(Cl)n1
+c1(-c2cn3CCCCc3n2)cc(OC)c(-c4ncccc4)cc1
+c1(-c2cnccc2)nc(Oc3cccc(C#N)c3)c(N)cn1
+c1(-c2csc(n2)-c3cnccc3C)cc(ccc1)C(NCC)=O
+c1(-c2nc(F)ccc2)n(Cc3ncc(nc3OC)OC)ccn1
+c1(-c2ncon2)cc(F)c(CBr)cc1
+c1(Br)cc(cc(Br)c1)NC(=S)N
+c1(Br)cc2c(N)noc2cc1COc3cc(c(Cl)cc3)Cl
+c1(C(=O)C)ccc(OCCCOc2c(c(ccc2C(C)=O)OCC(=O)O)CCC)c(c1O)CCC
+c1(C(=O)O)c2c(nc(NC(c3cc(ccc3)C#N)=O)n2CCCOC)ccc1
+c1(C(=O)O)cc(F)c(C)nc1
+c1(C(=O)O)cc(ccc1)-c2ccc3COB(c3c2)O
+c1(C(=O)OC)cc([N+]([O-])=O)ccc1COC
+c1(C(=O)OCC)c(C)cc(cc1OC)Br
+c1(C(Cl)=O)cn(c2c1ccc(OC)c2)-c3c4ccccc4ncc3
+c1(C(Cl)=O)nc(Cc2cc(ccc2)C(=O)C)oc1
+c1(C(Nc2nc(c(-c3c(c(Cl)cc(OC)c3)Cl)nc2)N)=O)ccnn1C
+c1(C(c2cc(C(=O)O)ccc2)=O)c(C)cc(cc1)OCCCCCC
+c1(C)c(C#N)ncc(c1)C=O
+c1(C)c(C(=O)NCC)ncc(c1)[N+](=O)[O-]
+c1(C)c(cc(c(Oc2ccc(cc2F)F)c1)Br)N
+c1(C)cc(C=CC(OCC)=O)cnc1Br
+c1(C)cc(C=CCC(C)NC)cnc1N
+c1(C)cc(cc(C)c1)C(c2cc(C)cc(C)c2)N3C=CC=C(C3=O)C(=O)O
+c1(C)cc(cc(C)c1)CC(N2CCC2(C)C(N(Cc3ccc(cc3)C)C)=O)=O
+c1(C)cc(cc(C)c1)Nc2nc(ccn2)-c3c(-c4ccccc4)sc(n3)N
+c1(C)cc(cc(C)c1-c2c(c(CNc3ccc4C(CC(=O)OC)C5(CC5)Cc4c3)ccc2)C)OCC6COC(C)(C)O6
+c1(C)cc(cc(C)c1-c2csc(N)n2)Oc3ccc4OCOc4c3
+c1(C)cc(cc(C)c1Cn2c3c(cc2C(NS(=O)(=O)c4cc(N)ccc4)=O)ccc(C#N)c3)C
+c1(C)cc(cc(C)c1Oc2c3c(nc(Nc4ccc(cc4)C#N)n2)c(cn3C)Br)C#N
+c1(C)cc(cc(C)c1S(=O)(=O)N(CCOCC(N(CCC2CCC(CC2)(N(C)C)c3cnccc3)C)=O)C)OC
+c1(C)cc(cc(C)c1S(=O)(=O)N)Nc2ncc(Br)c(n2)OC(C(C)O)C
+c1(C)cc(ccc1F)C(OC)CC(CC=C)C(=O)NO
+c1(C)ccc(N)cc1Nc2n(ncn2)-c3cc(NC)ncn3
+c1(C)cccc(C)c1-c2nc3CCN(Cc3c(n2)O)c4n(nc(C(C)C)c4)C
+c1(C)cccc(C)c1CNc2c3[nH]c(cc3nc(Cl)c2)C
+c1(C)cccc(C)c1CNc2cc(C(N)=O)cn3c(C)c(nc23)C
+c1(C)cccc(C)c1CNc2cccn3c(C)c(CC#N)nc23
+c1(C)cccc(C)c1CNc2cccn3c(C)c(COC(=O)OCC)nc23
+c1(C)cccc(C)c1N(C(c2ccccc2)=O)CC(C)N(CC)CC
+c1(C)cccc(Sc2c(Nc3c4ccc(nc4ncc3)C)cc(C)cc2)c1
+c1(C)nc(Cl)cc(CSC)c1
+c1(C)nc(Cl)cc([N+]([O-])=O)c1
+c1(C)nc(OC)ccc1N2CCCn3c2nc4c(Cl)ccc(C(CC)OCC)c34
+c1(C)nc(cc(C=O)c1)CC
+c1(C)nc(nc(C)c1)N2CCC3(CC2)CCCC(=O)N3Cc4c5c([nH]cc5)ccc4
+c1(C)nc2c(NCc3c(C)cccc3CC)cc(cc2n1C)C(=O)N
+c1(C)nc2n3c(nc(C(NN)=O)c3)ccc2c(C)c1
+c1(C=O)c(Cl)[nH]c(-c2cccnc2)n1
+c1(C=O)cc(Cl)c(cc1)-c2cc(ccc2)C(=O)N
+c1(C=O)cc(c(F)cc1)OC=C
+c1(C=O)cc2c(cc1)c3c(c(N)n2)ncc(c3)CCc4ccc(OC)cc4C
+c1(C=O)cc2c(cc1)n(nn2)CCCC
+c1(C=O)ccc(OC)c(CCCCCC)c1
+c1(C=O)nc(c2cc(ccc2n1)OC)NCc3ccc4OCOc4c3
+c1(CC)c(ccc(CC#N)c1)Br
+c1(CCC(=O)N)ccnc(c1)C=2Sc3c(cccc3)C(N=2)=O
+c1(CCl)oc(nn1)-c2cc(ccc2)C#N
+c1(CN(C(=O)C)O)ccccc1Nc2cccc(C)c2C
+c1(CN2N=C(OCCC3CO3)C=CC2=O)cc(ccc1)C(=O)OC
+c1(CNc2cc(ccc2)-n3cnc4c3ccc(C(=O)NCc5cnccc5)c4)cccnc1
+c1(CO)c(sc(c1C)C)Br
+c1(CO)cccc(-c2nc(C(Nc3c(cnc(C(O)=O)c3C)C)=O)c(cc2)C)c1
+c1(COc2nc3c(c(N4CCN(CC4=O)C(=O)OC)cn3CC)cc2)ncccc1
+c1(Cc2[nH]nc(NC=C3c4ccccc4NC3=O)c2)cc(ccc1)C
+c1(Cl)c(F)ccc2cnccc12
+c1(Cl)c([N+]([O-])=O)cc(c(c1)Cl)-c2nc3CCCCn3c2Cl
+c1(Cl)c([nH]cn1)C(NCc2ccc(Cl)c(Oc3cc(cc(c3Cl)F)C#N)c2F)=O
+c1(Cl)cc(-c2cnncc2)c(cc1-c3cc(F)ccc3)O
+c1(Cl)cc(cc(Cl)c1)Sc2nc3c(N)ncnc3n2CCCNCCCCCCN
+c1(Cl)cc(cc(Cl)c1N)C(CN(Cc2ccccc2)CCCOCCOCCCOc3ccccc3)O
+c1(Cl)cc(cc(Cl)c1Oc2ccc(cc2)[N+]([O-])=O)C(=O)NCC(=O)OC
+c1(Cl)cccc(Cl)c1-c2nc3c(c(ncc3)Nc4ncnc(c4)CN5C(=O)c6ccccc6C5=O)s2
+c1(Cl)cccc(Cl)c1-c2nc3c(s2)c(ncc3)Nc4cc(CO)ncn4
+c1(Cl)cccc(Cl)c1-c2noc(c2COc3ccc(cc3)-c4ccc5c(c4)ccc(C(O)=O)n5)C6CCCC6
+c1(Cl)cccc(Cl)c1-n2nnc(C(C)C)c2C(=O)OCC
+c1(Cl)cccc(Cl)c1COc2cc(-c3cc4c(cc3)[nH]c(C(O)=O)c4)cnc2N
+c1(Cl)cccc(Cl)c1NC(N(C)c2ncnc(Nc3ccc(cc3F)F)c2)=O
+c1(Cl)ccnc(CNC)c1
+c1(Cl)cncc(Cl)c1CSc2nc(cc(C)n2)NC(C)=O
+c1(Cl)nc(nc(Cl)n1)Nc2ccc(NC(C)=O)c(OCc3ccccc3)c2
+c1(Cl)nccn2c(ncc12)I
+c1(Cl)sc2c(cnnc2O)n1
+c1(F)c(Cl)ccnc1CO
+c1(F)c(F)c(c(cc1)CC(OC)=O)C
+c1(F)c(I)cccc1C=NO
+c1(F)c(c(Cl)ccc1)-c2cc3c([nH]2)ccc(-c4ccc(OC)cc4OC)c3
+c1(F)c2Cc3c(ccc(CCC)c3F)-c2ccc1
+c1(F)cc(Nc2nc(NCc3ccccn3)nc(c2C)C)ccc1F
+c1(F)cc([N+]([O-])=O)cc(CO)c1NC
+c1(F)cc(c(cc1C)C(NCc2c(cc(cc2)Br)F)=O)OCC(=O)O
+c1(F)cc(cc(F)c1)-c2c(cc(Cl)c(C#N)n2)C(OC)=O
+c1(F)cc(cc(F)c1)-c2cc(nc3c(c(nn23)C)-c4ccc5OCOc5c4)N6CCCC6CO
+c1(F)cc(cc(F)c1)NS(=O)(=O)c2cc3c(n[nH]c3N)nc2
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+c1(F)cc(cc(F)c1)Oc2ccc(cc2)OC(C)CO
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+c1c(cccc1OCC2Cc3c(CC2)cc(C4CC(N)(CC4)CO)cc3)OC
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+c1c(nc(cc1)NC(=O)Cc2cncc(-c3cc4CCC(N(c4cc3)C)=O)c2)C
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+c1c(oc2c1cc(cc2)C(=O)OC)CC
+c1c-2c(CCc3nnc(C)n-23)cc(-c4cncc(C)c4OC)c1F
+c1c2C(=O)N(C(c2ccc1)=O)C(c3c(nc4c(c(ccc4)Cl)c3)-c5cc(ccc5)F)C
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+c1c2CCCC(N(C)Cc3nc4c(cccc4)n3CC(=O)NCc5ncccc5)c2ncc1
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+c1c2CCCCC(Nc2ccc1)=O
+c1c2CN=C(c2nc(C)c1)N
+c1c2COC(Nc2ncc1C=CC(N(Cc3n(c4c(cccc4)c3)C)C)=O)=O
+c1c2N(C(=O)N(C(c2n[nH]1)=O)C)CCCC
+c1c2N=C(N(C(=O)c2ccc1)c3c(OCC)cccc3)CC
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+c1c2c(CCC(C2NC(=O)c3ccc(c(Cl)c3)Cl)OC(=O)C)ccc1N
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+c1c2c(c([nH]c2ccc1)-c3c(ccc(n3)Cl)O)Cl
+c1c2c(c(n(C)c2ccc1)CN(C)C(=O)C=Cc3cc4OCC(Nc4nc3)=O)C
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+c1c2c(sc(NC3C(O)CCCC3)n2)cc(Cn4cc(nc4)Br)c1
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+c1cc(CC#N)cc2c1OCCO2
+c1cc(CC)cc(c1OC)-c2cc(c(cc2)O)C(CCl)=O
+c1cc(CCC#N)cc2CC(Nc12)=O
+c1cc(CN(CCCn2c3c4c(cccc4)nc(N)c3nc2CCCC)CCCN(CC)C)cc(CC(OC)=O)c1
+c1cc(CN2C(=O)C=3C(=C4C(=O)N(C)CCCCN4C(=O)C=3O)CC2)cc(Cl)c1F
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+c1cc(Cl)c(Br)cc1CCCCO
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+c1cc(Oc2cc(NC)ncn2)cc3CCCNc13
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+c1cc([N+]([O-])=O)cc(F)c1Oc2cc3c(n(C4CCCCO4)nc3)cc2Br
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+c1cc(c(C)nc1C)OCCOc2cc3CCC(CC(=O)O)c3cc2
+c1cc(c(CC)c2c[nH]nc12)Br
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+c1cc(c(cc1C(CCc2nnn[nH]2)=NOC)Cl)Cl
+c1cc(c(cc1C(CCc2noc(C)n2)=NOC)Cl)Cl
+c1cc(c(cc1Cn2c3c(c(c(cc3)OC)O)cc2C(OC)=O)Cl)Cl
+c1cc(c2c(c(F)ccc2)c1)OCOC
+c1cc(c2c(sc3ccccc23)c1OC)[N+]([O-])=O
+c1cc(c2c3c(n(Cc4c(cccc4)Cl)c2c1)cccc3OCC(O)=O)C(=O)N
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+c1cc(cc(C)c1Oc2cnc(C)cc2)Nc3ncnc4cc([nH]c34)-c5occc5
+c1cc(cc(CC2COC(=O)N2CCC)c1OC)C#N
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+c1cc(cc(N)c1OC)CCCO
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+c1cc(cc(OC)c1F)C#Cc2cc(C#N)cnc2
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+c1cc(cc(c1Cl)Cl)N=C(N)Nc2nc(cc(n2)C)NC3CN(CC)CCC3
+c1cc(cc2C(Oc3cc(OCC(=O)O)ccc3)CCc12)-c4cc(ccc4)F
+c1cc(cc2CCCNc12)OCCCCN(CC=C)C
+c1cc(cc2c1C(CBr)=C(c3cnc(OC)nc3OC)C(=O)O2)OC
+c1cc(cc2nonc12)CN3C(N(CC3)c4nc(c(s4)C(=O)NCc5cnccc5)C)=O
+c1cc(ccc1)-c2[nH]c(C3NCc4c(cccc4)C3)nc2
+c1cc(ccc1)-c2[nH]c3c([N+]([O-])=O)cc(C)cc3c2
+c1cc(ccc1)-c2[nH]c3c([N+]([O-])=O)cc(cc3c2CN4CCOCC4)Cl
+c1cc(ccc1)-c2[nH]c3c(cc(c(-c4occc4)n3)-c5ccncn5)c2
+c1cc(ccc1)-c2[nH]c3c4c(ccc3)C(NC(CN)=O)CCc24
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+c1cc(ccc1)-c2c(-c3ccccc3)nc(o2)C=4C(Cc5cccc(NC(=O)NC(c6ccccc6)=O)c5)CCCC=4
+c1cc(ccc1)-c2c(CN)c(nc3ccc(C(=O)N)cc23)CC(C)C
+c1cc(ccc1)-c2c(CS(=O)C)c(c3c(cccc3)n2)C(NC(CC)c4ccccc4)=O
+c1cc(ccc1)-c2c(N)nc3ccc(cn23)C(c4ccc(cc4)F)=O
+c1cc(ccc1)-c2c(c(C#N)c3c(c2F)oc(CNC)n3)C
+c1cc(ccc1)-c2c(c(on2)C)COc3ccc(C(=O)NCCO)nn3
+c1cc(ccc1)-c2c(c3c(C(CN(Cc4ccccc4)C3)C)n2Cc5ccccc5)C=NO
+c1cc(ccc1)-c2c(c3c(NS(=O)(=O)c4cc(ccc4)Cl)cc(nc3s2)C)-c5cc(OC)ccc5
+c1cc(ccc1)-c2c(c3c(ncnc3o2)OC4CC(CCC(O)=O)NCC4)-c5ccc(cc5)OC
+c1cc(ccc1)-c2c(c3ccc(cc3[nH]2)OC)Cc4nc(C(=O)NS(=O)(=O)C)ccc4
+c1cc(ccc1)-c2c(ccc(c2Cl)Br)S(=O)(=O)C
+c1cc(ccc1)-c2c(cccc2)Cn3c4nc(SC)nc(OCC(=O)O)c4c(c3CC)C(=O)C(N)=O
+c1cc(ccc1)-c2c(nc3c(cc(F)cc3)c2C(=O)O)C(C)Nc4c(c(N)ncn4)C#N
+c1cc(ccc1)-c2c(nc3ccc(C(=O)N4CCN(CC4)C(C5CCCCC5)=O)cn23)C
+c1cc(ccc1)-c2c(nc3n2nc(Cl)c(C)c3C)-c4ccc(cc4)C5(CCC5)N
+c1cc(ccc1)-c2c(ncc(N(CCc3cc(O)ccc3)C)n2)-c4ccccc4
+c1cc(ccc1)-c2c(ncc(c2)N)OC
+c1cc(ccc1)-c2c(ncn2C3C(CCCC3)NC(OCc4ccccc4)=O)C(=O)OCC
+c1cc(ccc1)-c2c(nnc(n2)N)-c3cc(O)cc(Cl)c3
+c1cc(ccc1)-c2c(oc3cccc3c2)CC(=O)NO
+c1cc(ccc1)-c2c(sc3c2ccc(c3)O)C(c4ccccc4)=O
+c1cc(ccc1)-c2c3c(N(C)C(=O)N(C)C3=O)cn2-c4c(cccc4)N
+c1cc(ccc1)-c2c3c(cccc3)nc(-c4sc(CC(=O)N)cc4)c2
+c1cc(ccc1)-c2cc(-c3ccc(cc3)OCC(=O)O)nc4ccccc24
+c1cc(ccc1)-c2cc(C(=O)CCc3cc(C)c(c(C)c3)OCC4CO4)sc2CC
+c1cc(ccc1)-c2cc(CBr)ccc2C(NC(CCSC)C(OC)=O)=O
+c1cc(ccc1)-c2cc(N(c3ccnc(n3)S(=O)C)C)cc4c2[nH]cn4
+c1cc(ccc1)-c2cc(Nc3ccc(cc3)CC(C(O)CNC4(CC4)c5cc(ccc5)C(C)C)NC(C)=O)ncn2
+c1cc(ccc1)-c2cc(Oc3ccc(cc3)C#N)c(NCC4NCCC4)cc2
+c1cc(ccc1)-c2cc(S(=O)(=O)Nc3ncc(Cl)cc3O)cnc2
+c1cc(ccc1)-c2cc(cc(N)c2)C(OC)=O
+c1cc(ccc1)-c2cc(ccc2)C(C(=O)NC3C(CN(S(=O)(=O)c4ccccn4)C(CC3)C)O)CC(C)C
+c1cc(ccc1)-c2cc(ccc2)C(CC(=C)C)C(O)=O
+c1cc(ccc1)-c2cc(ccn2)C(C)C
+c1cc(ccc1)-c2cc(nnc2Cl)Nc3ccnc(NCCc4c(Cl)cccc4)n3
+c1cc(ccc1)-c2cc3CCCCn3c2C(=O)C(Nc4ccc(cc4)N5CCN(CC5)CC(=C)C)=O
+c1cc(ccc1)-c2cc3c4ccc(N5CCN(CC5)C)cc4[nH]c3c(c2)C(=O)N
+c1cc(ccc1)-c2ccc(c(C(Cl)=O)n2)C
+c1cc(ccc1)-c2ccc(c(F)c2)C(=O)Cl
+c1cc(ccc1)-c2ccc(c3n(CCOC)c(nc23)-c4ccc(cc4)C(C)C)OC
+c1cc(ccc1)-c2ccc(cc2Cl)N=C=S
+c1cc(ccc1)-c2ccc3c(c(cnc3c2)[N+](=O)[O-])NCCCN4C(=O)CCC4
+c1cc(ccc1)-c2ccc3ccc(cc3n2)-c4c5c(ncnc5N)n(-c6ccccc6)c4
+c1cc(ccc1)-c2cccc(c2)OCC(O)CN3CCc4c(C3)cccc4
+c1cc(ccc1)-c2cn3ncc(C(=O)N)c(NC4CCC(C(=O)OC)(C4(C)C)C)c3c2
+c1cc(ccc1)-c2cnc3c(c(C(=O)NCC(=O)O)c(c(-c4ccccc4)c3)O)n2
+c1cc(ccc1)-c2cnc3n(cc(-c4cc(ccc4Cl)NC(c5oc(cc5)C)=O)n3)c2
+c1cc(ccc1)-c2n3nc(C(=O)NC)ccc3nc2-c4ccc(cc4)C5(CCC5)N
+c1cc(ccc1)-c2nc(CCNC(=O)c3c(C(=O)N4CCSCC4)cnn3C)c(C)o2
+c1cc(ccc1)-c2nc(CCOc3cccc(c3)-c4cccc(c4)OC5(CCC5)C(=O)OCC)c(C)o2
+c1cc(ccc1)-c2nc(CNc3nc4c(nc3)cccc4)[nH]c2
+c1cc(ccc1)-c2nc(N3CCCCCC3)c(C(CCC)C(O)=O)c(n2)C
+c1cc(ccc1)-c2nc(c(-c3ccccc3)nc2N)C4=NN(C(C)C)C(C=C4)=O
+c1cc(ccc1)-c2nc(c(C(CCC)C(=O)O)c(C)n2)-c3ccc4N(CCc4c3)C
+c1cc(ccc1)-c2nc(c3CN(C)CCCn23)C(=O)Cl
+c1cc(ccc1)-c2nc(nc(-c3ccccc3)n2)-n4c5ccc(cc5c6cc7-c8c(cccc8)C(C)(C)c7cc46)Br
+c1cc(ccc1)-c2nc(nc(n2)N3CCC(CC3)C(NCc4ccc(cc4)Cl)=O)NC
+c1cc(ccc1)-c2nc3c(c(-n4ccc5ccccc45)c2)cccc3
+c1cc(ccc1)-c2nc3c(c(O)ccc3nc2NCc4ccccc4)C(=O)NCC(O)=O
+c1cc(ccc1)-c2nc3cc(Cl)ccc3c(C(NC(C)C4CCCCC4)=O)c2CN5CCC(CC5)N6CCCCC6
+c1cc(ccc1)-c2ncc(C(C)C)cc2
+c1cc(ccc1)-c2ncc(N(C(C)C)CCCCBr)nc2-c3ccccc3
+c1cc(ccc1)-c2ncc(NC(CC(=O)N3CCN(CC3)C(c4cc(F)c(c(F)c4)F)=O)=O)cc2
+c1cc(ccc1)-c2ncc(c(-c3ccccc3Cl)n2)NC(Nc4ccccc4)=O
+c1cc(ccc1)-c2nccc(-c3n4ccc(Cl)cc4nc3)c2
+c1cc(ccc1)-c2ncnc3ccc(C=C4C(=O)NC(=O)S4)cc23
+c1cc(ccc1)-c2nnc3cccc(c3c2)C=O
+c1cc(ccc1)-c2nnn(c2)-c3ccc(cc3C#N)-c4nccc(C(O)=O)c4
+c1cc(ccc1)-c2noc(C)c2-c3oc(-c4c(OC)cc(cc4)NC5CCOCC5)nn3
+c1cc(ccc1)-c2noc(C)c2-c3oc(nn3)-c4ccc(cc4OC)N(C(C5CC5)=O)C
+c1cc(ccc1)-c2noc3c(c(O)ccc23)CCC
+c1cc(ccc1)-c2oc(C(N3CC(C3)Oc4cc(c(cc4)CN5CCOCC5)OC)=O)nn2
+c1cc(ccc1)-c2oc(c(C)n2)CCOc3cc4c(cc3)C(CC4)CC(=O)O
+c1cc(ccc1)-c2onc3c(CC(N)=O)cccc23
+c1cc(ccc1)-n2c(C=3C(=O)C(OC)=CN(Cc4ccccc4)N=3)ccn2
+c1cc(ccc1)-n2c(c(c(-c3cccnc3)n2)Cl)NC(=O)NC4CN(CC4c5cc(F)c(cc5)F)CCOC
+c1cc(ccc1)-n2c(cc(C(NCC(C)(C)O)=O)n2)NC(=O)c3c(Cl)cc(Cl)c(c3)-c4ccccn4
+c1cc(ccc1)-n2c(ccn2)C=3C(C(OC)=CN(c4cc(F)c(N5CCOCC5)cc4F)N=3)=O
+c1cc(ccc1)-n2c3c(ccc(C#N)c3)nc2
+c1cc(ccc1)-n2c3c(ccc(c3)-c4cc5c(oc(-c6ccc(cc6)F)c5C(NC)=O)cc4N7CCCC7=O)nc2
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(OCc4csc(N5CCOCC5)n4)cc3)OC)n2
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(cc3)OCc4c(C)sc(N5CCOCC5)n4)OC)n2
+c1cc(ccc1)-n2cc(C=O)c(OCc3cc(c(cc3)OCc4c(oc(C=CC(OCC)=O)n4)C)OC)n2
+c1cc(ccc1)-n2cnc3cc4c(cc23)C(C)(C)C(C)(C)C4(C)C
+c1cc(ccc1)-n2nc(C(OCC)=O)cc2NC(c3cc(-c4c(ccc(n4)CC#N)Cl)ccc3Cl)=O
+c1cc(ccc1)-n2nc(cc2)OCc3c(OCC)cccc3N4N=NN(C)C4=O
+c1cc(ccc1)C#Cc2c(-c3ccccc3)nn(CC(OCC)=O)c2NC(=O)C
+c1cc(ccc1)C#Cc2c(cc(cc2)[N+](=O)[O-])NC(=O)CCC
+c1cc(ccc1)C#Cc2c(n[nH]c2N)C
+c1cc(ccc1)C#Cc2c[nH]nc2NC(C)=O
+c1cc(ccc1)C#Cc2ccccc2C(OC)C#Cc3ccc(cc3)OC
+c1cc(ccc1)C#Cc2nc(N3CCCC3)cc(S(=O)(=O)c4ccc(cc4)N)c2
+c1cc(ccc1)C#Cc2ncc(N3C(=O)OC(C)(C)CC3)nc2
+c1cc(ccc1)C(=CC(NCCCCCCCCCC)=O)c2ccc(cc2)N
+c1cc(ccc1)C(=NOCCBr)CC(C)C
+c1cc(ccc1)C(=O)CCCn2c3c4c(cccc4)[n+](cc3nc2)[O-]
+c1cc(ccc1)C(=O)CCN2CCN(CC2)c3cc(F)c(cc3F)O
+c1cc(ccc1)C(=O)N(Cc2c(-c3cc(CC(OCC)=O)ccc3OC)ccc(-c4cnc(OCC)cc4)c2)CC
+c1cc(ccc1)C(=O)N2CCN(CC2)c3c(nnc(N(C)C)c3)-c4ccccc4
+c1cc(ccc1)C(=O)N2CCN(CC2)c3ccc(c(NCc4ccccc4)c3)C(OC)=O
+c1cc(ccc1)C(=O)N2CCN(CC2)c3cccc(Nc4ccccc4)c3
+c1cc(ccc1)C(=O)N2CCN(CC2)c3nnc(C(NCCC4CC4)=O)cc3
+c1cc(ccc1)C(=O)NC(=S)Nc2cc(Br)cc(C(OC)=O)n2
+c1cc(ccc1)C(=O)NCCCN(CCCc2c3c(cccc3)[nH]c2)C
+c1cc(ccc1)C(=O)Nc2c3ccccc3c(S(=O)(=O)Nc4cc(OC)ccc4)cc2
+c1cc(ccc1)C(=O)Nc2ccc3c(c2)ccn3NC(=O)c4c(nc(-c5cccc(F)c5)nc4)C
+c1cc(ccc1)C(=O)Nc2n(c3c(cc4c(C(C)(C)C(=O)N4CCCCC)c3)n2)C(C)C
+c1cc(ccc1)C(=O)c2c(N)nccc2Cl
+c1cc(ccc1)C(=O)c2cc(Cl)c(cc2OCC(OCC)=O)OC
+c1cc(ccc1)C(C(NC(=O)c2occc2)C)Oc3cc4cnn(c4cc3)-c5ccc(cc5)C(OC)=O
+c1cc(ccc1)C(C)(c2cc(Br)ccc2NC(CCl)=O)O
+c1cc(ccc1)C(C2COCCN2Cc3sc4c(C(C(C(NCc5ccc(cc5)Cl)=O)=CN4CCOC)=O)c3)O
+c1cc(ccc1)C(CC#C)NC(=O)NCCCl
+c1cc(ccc1)C(CC)NC(=O)c2c3ccccc3nc(-c4ccccc4)c2OCCN5C(=O)c6ccccc6CC5
+c1cc(ccc1)C(CNC(CC)=O)Nc2cncc(-c3ccc4c(c3)c(F)[nH]n4)c2
+c1cc(ccc1)C(CNCCO)Nc2cc(-c3ccc4c(c3)c(F)[nH]n4)cnc2
+c1cc(ccc1)C(COc2c(C(=O)c3ccc(S(=O)(=O)C)c(C4=NOCC4)c3C)cnn2CC)=O
+c1cc(ccc1)C(N)CNC(C2CC(CCC2C(C)C)C)=O
+c1cc(ccc1)C(N2CCC(CC2)C#Cc3cccc(c3)Br)=O
+c1cc(ccc1)C(N2CCC(CC2)c3c4cc(-c5ccccc5)nc(C(N)=O)c4[nH]c3)=O
+c1cc(ccc1)C(N2CCN(CC2)c3c(cc(cc3)[N+]([O-])=O)NCc4ccccc4)=O
+c1cc(ccc1)C(N2CCNc3ncc(-c4cnccc4)cc23)=O
+c1cc(ccc1)C(NC(=O)Cc2ccc(cc2)OCC(c3c(nccc3)C)O)c4c(cc(C)cc4)C
+c1cc(ccc1)C(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)CN4CC(CC4)O
+c1cc(ccc1)C(NC(=O)Nc2cc3c(c(NCC)n[nH]3)c(COC)n2)C
+c1cc(ccc1)C(NC(=O)Nc2ncc3c(c2Br)[nH]nc3NCC)C
+c1cc(ccc1)C(NC(=O)c2c(c(nc3c2cccc3)-c4ccccc4)OCCNC(=O)CCC(O)=O)CC
+c1cc(ccc1)C(NC(Cc2cc3c(oc(Cc4cccnc4C)c3)cc2)=O)c5ccc(Cl)cc5C
+c1cc(ccc1)C(NC(N)=O)COC(F)F
+c1cc(ccc1)C(NCC(C(Cc2cc(F)cc(c2)F)N)O)COCC=C
+c1cc(ccc1)C(Nc2c3ccc(cc3ccn2)CN)=O
+c1cc(ccc1)C(O)(c2ccc3c(cco3)c2)C
+c1cc(ccc1)C(OC(C)CCOC(OCC)=O)=O
+c1cc(ccc1)C(OCC(=C)CCO)=O
+c1cc(ccc1)C(OCCOc2cc(C)nc(c2)-c3nc(C)ccc3)=O
+c1cc(ccc1)C(Oc2cc(C(Cl)=O)ccc2OC)=O
+c1cc(ccc1)C(Oc2cc(c(OCCCCOCC=C(C)C)c(CC)c2)C)=O
+c1cc(ccc1)C(c2c(NC(CI)=O)cn(C)c2C)=O
+c1cc(ccc1)C(c2c(cc(Nc3c4cc(ccc4ncn3)-n5cncc5)cc2)Cl)=O
+c1cc(ccc1)C(c2cc3c(oc(c3)-c4c(F)cc(CN5CC(C5)C(OC)=O)cc4)cc2)O
+c1cc(ccc1)C(c2cccc(CC(O)=O)c2N(C)C)=O
+c1cc(ccc1)C(c2ccccc2)(C3CCN(CC3)CCc4ccc(cc4)N(C)C)O
+c1cc(ccc1)C(c2ccccc2)(CC3CCN(CC3)CCc4ccccc4)C(N)=O
+c1cc(ccc1)C(c2ccccc2)(CCCI)CC#N
+c1cc(ccc1)C(c2ccccc2)(CCN(C(CCl)=O)Cc3ccccc3)O
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)NC(COc4c5c(ccc(c5)Cl)on4)COC
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(N4C=CC(=O)NC4=O)CCO
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCCC(=O)Cl
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5cc([N+](=O)[O-])c(CNCc6cccc(Cl)c6)cc5c(Br)n4
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4c5cc(c(Br)cc5c(n4)I)NC(=O)C
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(-c5ccc6c(c(O)nc(CCCC)n6)c5)nn4
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(I)c5c(CO)nc(cc45)Cl
+c1cc(ccc1)C(c2ccccc2)C3C(CCN(Cc4c(OC)c(cc(Br)c4)Br)C3)=O
+c1cc(ccc1)C(c2ccccc2)C=3C=CC(=O)N(CCCc4cc(ccc4)OCC(OCC)=O)C=3
+c1cc(ccc1)C(c2ccccc2)CC(=O)N3CCC(CC3)(c4ccccc4)CN5CCN(CC5)C
+c1cc(ccc1)C(c2ccccc2)CC3CCN(CC3)CCCCCCCCc4cccnc4
+c1cc(ccc1)C(c2ccccc2)CCN3CC(CC3)NC(Nc4cc(nc(c4)C)CC)=O
+c1cc(ccc1)C(c2ccccc2)CCN3CCN(CC3)c4cccc(c4)C(=O)NCC5CCCCC5
+c1cc(ccc1)C(c2ccccc2)CN(CC3CCN(CC3)Cc4ccc(cc4)Cl)C(CNC(c5ccccc5)=O)=O
+c1cc(ccc1)C(c2ccccc2)CN(Cc3cc(ccc3)OC(F)(F)F)CCCOc4cc(ccc4)CC(=O)O
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)CN4CCC4
+c1cc(ccc1)C(c2ccccc2)N3CCN(CC3)CCCN4C(Nc5cc(c(Cl)cc45)Cl)=O
+c1cc(ccc1)C(c2ccccc2)N3c4ccccc4C(c5cc6c(OCC6(C)C)cc5O)C3=O
+c1cc(ccc1)C(c2ccccc2)OCC3CCN(CC3)CC4(C)Oc5c(C4)c(C)c(N)c(C)c5C
+c1cc(ccc1)C(n2cnc3ccccc23)CC(=O)O
+c1cc(ccc1)C2(C(CN3CCC(CC3)c4onc(Cc5ccccc5)n4)C2)CN(S(=O)(=O)c6ccccc6)C
+c1cc(ccc1)C2(CC(C2)C)c3cc(ccc3-c4nc5n(ccs5)c4)OCc6ccc7cc(ccc7n6)F
+c1cc(ccc1)C2(CCN(CC2)C(=O)C)CNC(=O)c3ccccc3OC
+c1cc(ccc1)C2(NC(N(CC(c3c(F)cc(cc3)NC(=O)Nc4c(C)noc4C)=O)C2=O)=O)CCC
+c1cc(ccc1)C2(c3ccccc3)C(CCN4CCOCC4)CN(C2=O)CC
+c1cc(ccc1)C2=CCN(CCCc3nc4CCCCc4c(O)n3)CC2
+c1cc(ccc1)C2=CCc3ccc(cc3O2)-c4c5c(N)ncnc5n(C6CC(C6)CN7CCS(CC7)(=O)=O)c4
+c1cc(ccc1)C2=Cc3c(cnc(c3O)C(=O)NCCC(O)=O)N(C2=O)Cc4sccn4
+c1cc(ccc1)C2=NN(CCNc3cc(ncc3)Cl)C(=O)C=C2
+c1cc(ccc1)C2C(CC#N)CC(=O)N2C
+c1cc(ccc1)C2C(N=C3NC(=O)C(=Cc4cc5c(OCC)c(cnc5cc4)C#N)S3)C2
+c1cc(ccc1)C2C(NCCC2)C(Nc3cc4c(cc3)n[nH]c4)=O
+c1cc(ccc1)C2CCN(CC2)C=3C=CN(CCCC)C(=O)C=3Cl
+c1cc(ccc1)C2CCc3c(ccc(Oc4ncc([N+](=O)[O-])cc4)c3)C2
+c1cc(ccc1)C2CCc3c4N2C(Nc4ccc3-c5c(C)onc5C)=O
+c1cc(ccc1)C2COC(=O)N2C(CSCC3(OCC(C)(C)CO3)c4ccc(cc4)Cl)=O
+c1cc(ccc1)C2Cc3c(OC)cccc3C(CN)(C2)O
+c1cc(ccc1)C2Oc3ccccc3N(C(=O)C2NC(C(NC(=O)Cc4cc(F)cc(F)c4)C)=O)CC5CC5
+c1cc(ccc1)C=2C(C(=O)N(c3nc4ccc(cc4s3)Cl)N=2)=CN
+c1cc(ccc1)C=2C(c3cc(c(c([N+](=O)[O-])c3)O)Cl)NC(=O)NC=2c4ccccc4
+c1cc(ccc1)C=2c3c(C(N(C=2)c4ccccc4C)=O)c(n[nH]3)N
+c1cc(ccc1)C=Cc2cc(ccc2C3CNC(C3)=O)Cl
+c1cc(ccc1)CC(=O)NC(=S)Nc2cc(F)c(Oc3c4sc(cc4ncc3)S(C)=O)cc2
+c1cc(ccc1)CC(=O)c2c(n(c3cc(C(OC)=O)ccc23)Cc4ccccc4Cl)CCC
+c1cc(ccc1)CC(C(=O)C(NOCC)=O)NC(=O)C2CCC(=O)N2Cc3ccccc3
+c1cc(ccc1)CC(C(=O)N2CCN(CC2)C)CC(=O)N3Cc4cscc4C3
+c1cc(ccc1)CC(C(NC)=O)CCn2c3cccc(C)c3nc2COc4ccc(cc4)Cl
+c1cc(ccc1)CC(C(O)CC(CCC(C)(C)F)C(=S)N)NC(=O)c2nc3ccccc3nc2
+c1cc(ccc1)CC(C)N(Cc2cc(ccc2Oc3cc(ccc3)CC(OC)=O)Br)C(=O)OC
+c1cc(ccc1)CC(CNS(=O)(=O)C)N(C(=O)C(NC)Cc2cc3c(cccc3)cc2)C
+c1cc(ccc1)CC(NC(=O)c2cccnc2-c3csc(-c4ccccc4)n3)C(=O)C(NC5CC5)=O
+c1cc(ccc1)CC(Oc2c(c3c(cc(-c4c(c5c(cccc5)o4)C(=O)CCCC)cc3)cc2)Br)C(O)=O
+c1cc(ccc1)CC2(CNc3cc(ccc23)Cl)C
+c1cc(ccc1)CC2C(c3[nH]c4c(c3CC2)c(Cl)c(Cl)cc4)=O
+c1cc(ccc1)CC2CC(c3c(Cl)c(C(O)=O)ccc3S(=O)(=O)C)=NO2
+c1cc(ccc1)CC2CCN(CC2)CCC#Cc3cc4c(cc3)[nH]cc4
+c1cc(ccc1)CC2CN(C(=O)CCc3c4cc(ccc4n(c3-c5ccc(cc5)Cl)C)Cl)CCN2C
+c1cc(ccc1)CC2N(Cc3c(C(=O)N(C2)C)cccc3)S(=O)(=O)c4ccccc4OC
+c1cc(ccc1)CC2NC3(CCN(CC3)S(=O)(=O)C)N(Cc4ccccc4)C2=O
+c1cc(ccc1)CCC(=O)N2C(C)CC(C2)Cn3ncc4cc(-c5cn[nH]c5)ccc34
+c1cc(ccc1)CCC(C(NC)=O)NC(=O)CC(CC(C)C)C(OC)=O
+c1cc(ccc1)CCC(c2ccccc2)c3cn(Cc4ccccc4)cn3
+c1cc(ccc1)CCC2=CC(N(CCc3ccc(cc3)CN4CCCC4)C=C2)=O
+c1cc(ccc1)CCCN2C(c3c(C2=O)ccc(OC)c3)O
+c1cc(ccc1)CCCOc2cc(C(=O)NCC)ccc2-n3cc(C(=O)NCCOC)nn3
+c1cc(ccc1)CCN2C(=O)c3c(nc(Br)n3Cc4ccccc4Br)N(C)C2=O
+c1cc(ccc1)CCN2C3C(c4cccc(OC(=O)N(C)C)c4CC3)CC2
+c1cc(ccc1)CCN2CCC(C2)Oc3ccc4[nH]nc(S(=O)(=O)c5cccc6ccccc56)c4c3
+c1cc(ccc1)CCN2CCC(CC(C)C)(C(CNS(=O)(=O)c3ccc(cc3)OC)C(=O)NO)C2=O
+c1cc(ccc1)CCN2CCc3c(ccc(Oc4ncc(C(N)=O)cc4)c3)CC2
+c1cc(ccc1)CCNC(=O)c2c(noc2-c3ccc(cc3)-c4ccc(cc4)C5(CC5)C(=O)OCC)C
+c1cc(ccc1)CCNC(=O)c2ccc(cc2)Oc3c(cc4c(OCCC4C(OCC)=O)c3)Cl
+c1cc(ccc1)CCc2cc3c(N=C(CC(N3)=O)c4cccc(c4)C#N)cc2
+c1cc(ccc1)CCc2oc(C)c(CCO)n2
+c1cc(ccc1)CCn2cc(nc2)Nc3nc(NC(c4ncc(cn4)F)C)nc(n3)Cl
+c1cc(ccc1)CN(C(CC)=O)c2cc(C#N)ccc2
+c1cc(ccc1)CN(C)C(c2cc(NC(=O)c3cc(c(cc3Cl)F)F)[nH]n2)=O
+c1cc(ccc1)CN(C2CC=C(c3ccnc(c3)N(C)C)CC2)C
+c1cc(ccc1)CN(CC(=O)c2ccc(c(CO)c2)O)CCCCCCOCCCCCCc3ccccn3
+c1cc(ccc1)CN(CC(N)(C#N)CCc2ccccc2)C
+c1cc(ccc1)CN(CC)C(C2c3c4c(cccc4OC)n(CCF)c3CCC2)=O
+c1cc(ccc1)CN(CCCCCCCCCCCC)C
+c1cc(ccc1)CN(CCCN)c2ccc(Br)cn2
+c1cc(ccc1)CN(Cc2cc(Br)ccc2Oc3c(ccc(CC(=O)OCC)c3)OC)C(=O)OC
+c1cc(ccc1)CN(Cc2sc(cc2)-c3cccc(S(=O)(=O)C)c3)S(=O)(=O)c4cc(ccc4)Cl
+c1cc(ccc1)CN2C(=O)C(=C(c3cc(F)cnc23)N4CCN(CC4)C(=O)c5cccs5)C(OCC)=O
+c1cc(ccc1)CN2C(=O)Nc3c(nc(NCCOC)nc23)N
+c1cc(ccc1)CN2C(CC)C(C)OCC2
+c1cc(ccc1)CN2C(CCC)=Nc3nc4ccccc4cc3C2=O
+c1cc(ccc1)CN2C3(Cc4c(C3)cc(cc4)[N+](=O)[O-])C(NC2=O)=O
+c1cc(ccc1)CN2CC(C=C)C(c3cc(c(Cl)cc3)Cl)C2
+c1cc(ccc1)CN2CC(OCC2)CCCNC(c3cc(Cl)c(N)cc3OC)=O
+c1cc(ccc1)CN2CC3(CCN(CC3)C(c4ccc(c(C)c4)OC(C)C)=O)OC(c5ccc(cc5)C)C2
+c1cc(ccc1)CN2CC3C(C2)C3(C)c4cccc(NS(=O)(=O)C)c4
+c1cc(ccc1)CN2CC=C(CC2)COCc3ccccc3
+c1cc(ccc1)CN2CCC(C(C)N)C2
+c1cc(ccc1)CN2CCC(CC2)C(Nc3cc(ncn3)-c4ccccc4OCC)=O
+c1cc(ccc1)CN2CCC(Oc3cccc(NC(c4c(cc(cc4)F)Cl)=O)n3)CC2(C)C
+c1cc(ccc1)CN2CCC(c3ccc(cc3)OCCC)=CC2
+c1cc(ccc1)CN2CCC3(CC2)N(C=NC3=O)c4cc(ccc4)C
+c1cc(ccc1)CN2CCC3(CCC2)Oc4c(cc(C=CC(NOC5OCCCC5)=O)cc4)C(C3)=O
+c1cc(ccc1)CN2CCNCCC2
+c1cc(ccc1)CN2N=C(N3c4ccccc4CC3C(N5CCCC(C5)C)=O)C=CC2=O
+c1cc(ccc1)CN2N=CC(=C(C2=O)OC)c3ccc(cc3)C
+c1cc(ccc1)CN2c3c(c(nc(N(C)C)n3)N)NC2=O
+c1cc(ccc1)CNC(=O)N(CC)Cc2cc(-c3cnn(c3)C)ccc2-c4c(OC)ccc(c4)CC(OCC)=O
+c1cc(ccc1)CNC(=O)Nc2cc(ccc2)CC(=O)C
+c1cc(ccc1)CNC(=O)c2cc(C=3c4c(C(N(C=3)C)=O)cccc4)ccc2OC
+c1cc(ccc1)CNC(=O)c2cccc(-c3cccc(C(NO)=O)c3)c2
+c1cc(ccc1)CNC(=O)c2cnc(N3CCN(CC3)C)cc2-c4c(C)cccc4
+c1cc(ccc1)CNC(C2CNCC2CN(C(c3cc(c(cc3)OC)OCCCOC)=O)C(C)C)=O
+c1cc(ccc1)CNC(c2c(nc(N3CCN(Cc4cc(F)ccc4)C3=O)s2)C)=O
+c1cc(ccc1)CNC2CCC(CC2)CNc3cc(N(C)C)c(C)c[n+]3[O-]
+c1cc(ccc1)CNC2CCc3ccc(O)cc3C=C2
+c1cc(ccc1)CNCCCNc2cc(c(cc2N)C)C
+c1cc(ccc1)CNCCN2C(Cl)=CNC(=NCCc3ccccn3)C2=O
+c1cc(ccc1)CNCCN2c3c(c(NC)[nH]n3)C(=O)N(CCCC)C2=O
+c1cc(ccc1)CNS(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2
+c1cc(ccc1)CNS(=O)(=O)c2cccc(c2)C=O
+c1cc(ccc1)CNc2cc(ccc2OC)C3CCOCC3
+c1cc(ccc1)CNc2nc(C)c(C(CCC)C(=O)O)c(-c3ccc(cc3)C)n2
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+c1cc(ccc1)COC(NCCCCCCCCNCC=C)=O
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+c1cc(ccc1)COCN2C(=O)C(C)=C(c3ccc(cc3C)Oc4ncnc5ccsc45)N(C)C2=O
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+c1cc(ccc1)COc2c(ccc(c2)CC)Oc3ccc(O)cc3F
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+c1cc(ccc1)COc2cc3cc(C(Nc4cc(C(NCc5cc(ccc5)Cl)=O)ccc4Cl)=O)c(nc3cc2OC)O
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+c1cc(ccc1)COc2nc(c(Cl)cc2)Br
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+c1cc(ccc1)CSC2(CCOCC2)CN
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+c1cc(ccc1)Cc2c3cc(ccc3n(C)c2C)-c4ccc(cc4)OCC(=O)O
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+c1cc(ccc1)Cc2cc3cnc(C#N)nc3n2CC(C)C
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+c1cc(ccc1)Cc2ccc3c(c(c[nH]3)CCN)c2
+c1cc(ccc1)Cc2ccc3oc(C(OCC)=O)cc3c2
+c1cc(ccc1)Cc2cccc(c2)CN
+c1cc(ccc1)Cc2cn(c3c2cccc3)CCN(C(=O)N)O
+c1cc(ccc1)Cc2cnc(nc2)N3CCN(CC3)c4nc(ncn4)Nc5cnn(c5)CC(CO)O
+c1cc(ccc1)Cc2nc(C3CN(CCC3)C(=O)c4ccc(cc4)F)no2
+c1cc(ccc1)Cn2c(CC)c(c(c2C(C)C)C(=O)NCc3cc(F)c(cc3)F)CCCC
+c1cc(ccc1)Cn2c(CCCO)cc(OCCC)n2
+c1cc(ccc1)Cn2c(c(c3c2cc(cc3)C4=NCCN4)C(=O)NCc5cc(F)c(cc5)F)C(C)C
+c1cc(ccc1)Cn2c3c(c(C=NOCCCO)c2)cccc3
+c1cc(ccc1)Cn2c3c(nc(N)nc3Oc4c(C)cc(cc4C)C#N)cc2
+c1cc(ccc1)Cn2c3cc(-c4cccc(OCC(O)CN5CCc6c(C5)cccc6)c4)ccc3nc2
+c1cc(ccc1)Cn2c3ncccc3c(C(O)=O)n2
+c1cc(ccc1)Cn2cc(C)c(-c3ccc(cc3)Cl)c2C(O)=O
+c1cc(ccc1)Cn2cc(C=O)c(n2)OCc3ccc(c(OCc4nc(oc4C)-c5ccco5)c3)OC
+c1cc(ccc1)Cn2ccc3c(cccc23)CC4SC(NC4=O)=O
+c1cc(ccc1)Cn2ncc(c2)C(=O)Nc3c4c(n(S(=O)(=O)c5ccc(cc5)C)c3)ncc(c4)-c6cccc(C=O)c6
+c1cc(ccc1)N(C(=O)C2=C3c4sc(I)cc4C=CN3C(=O)C(=C2)c5ccc(cc5)OCc6ccccc6)CCOC
+c1cc(ccc1)N(CCCCCCCCOc2cccc3ccccc23)C#N
+c1cc(ccc1)N(CCNC)c2cccc3[nH]ccc23
+c1cc(ccc1)N(CCOC)C(=O)C=2C=C(C(N3C=Cc4n(cnc4C=23)C)=O)c5ccc(cc5)OCc6ccccc6
+c1cc(ccc1)N(CCOc2ccc(cc2)O)C(C)C
+c1cc(ccc1)N(Cc2cc(O)nc3ccccc23)Cc4occc4
+c1cc(ccc1)N(Cc2ccc3cc(CC4SC(=O)NC4=O)cnc3c2)C
+c1cc(ccc1)N(c2cc(C)cc(C)c2)C(=O)Cl
+c1cc(ccc1)N(c2ccccc2)C(=O)OCc3cccc(OCC(O)=O)c3Cl
+c1cc(ccc1)N(c2ccccc2)c3cc4c(cc3)[nH]c5ccccc45
+c1cc(ccc1)N(c2ccccc2)c3ccc(cc3)C=Cc4ccc(cc4)C=Cc5ccc(cc5)NC(C(=C)C)=O
+c1cc(ccc1)N(c2nc(N3CCOCC3)nc(-n4cncc4)n2)C
+c1cc(ccc1)N2C(=O)C(=C3COCCN23)C(=O)Nc4cc(c(Oc5ccnc(c5)NC(C6CC6)=O)cc4)F
+c1cc(ccc1)N2C(C(Nc3ncnc(N)c3C(Nc4cc(ccc4O)C(=O)N)=O)C)=Nn5ccc(c5C2=O)C
+c1cc(ccc1)N2C=C(C(=O)c3ccc(cc23)Cl)CNC(=O)c4ccc(nc4)N5CCCCC5
+c1cc(ccc1)N2C=C(C(=O)c3ccc(cc23)Cl)CNC(c4ccc(cc4)-c5[nH]cnn5)=O
+c1cc(ccc1)N2CC(c3ccccc3)NCC2
+c1cc(ccc1)N2CCC(CN)CC2=O
+c1cc(ccc1)N2CCN(C2=O)C(Nc3cc(c(Oc4ccc(O)nc4)cc3)F)=O
+c1cc(ccc1)N2CCN(CC2)C(C3N(CC(OC)CC3C(=O)NO)C(=O)OC)=O
+c1cc(ccc1)N2N(C(=C(C(OC)=O)C2=O)CN3CCCC3)C
+c1cc(ccc1)N2N(C(=C(C2=O)C(Nc3ccc(cc3)Oc4c5c(cc(OCC(O)C)cc5)ncc4)=O)C)C
+c1cc(ccc1)N2c3ccccc3CC(CCCNC)C2=O
+c1cc(ccc1)NC(=O)c2c(ncc(-c3ccc(cc3)S(=O)(=O)C)n2)N
+c1cc(ccc1)NC(NC(CCCCNC2CC2c3ccc(cc3)F)C(=O)N4CCCCC4)=O
+c1cc(ccc1)NCC(=O)N2C3C(CCC(NC(=O)Nc4ccc(F)c(F)c4)C3)(CC2)c5ccc(OC)c(c5)OC
+c1cc(ccc1)NCC(Nc2cccc(Cl)c2C(O)=O)=O
+c1cc(ccc1)NCCCC(C)C2C3(C(C4=C(CC3)C5(CCC(C(C)(C)C5CC4)O)C)=CC2)C
+c1cc(ccc1)Nc2c(C(=O)NCC)cnc(NC(NCC)=O)c2
+c1cc(ccc1)Nc2c(N)ncc(-c3c(C)cccc3C)n2
+c1cc(ccc1)Nc2c(c3c(cc2C(=O)OC)[nH]c(n3)C)F
+c1cc(ccc1)Nc2c3nccn3nc(c2)-c4cc5c(noc5cc4)N
+c1cc(ccc1)Nc2nc(-c3c(nn4ccccc34)-c5cccc(c5)NC(Cc6cccc(c6)Cl)=O)ccn2
+c1cc(ccc1)Nc2nc(ccc2C(NC)=O)CCCCNC(NCc3cccnc3)=O
+c1cc(ccc1)OC(=O)Nc2c(ccc(c2F)N(C)S(=O)(=O)CCC)F
+c1cc(ccc1)OC(=O)Nc2ccc(cc2)-c3nc(c(cn3)OC)N4CCOCC4
+c1cc(ccc1)OC(=O)Nc2ccc(nc2)-n3nnnc3
+c1cc(ccc1)OC(C)c2ccc(C(NCc3c(cc(nc3O)C)C)=O)nn2
+c1cc(ccc1)OC(N(CCN2CCCc3c2ccc(N)c3)C)=O
+c1cc(ccc1)OCC2=CN(C(C=C2)=O)Cc3cc(F)c(cc3)F
+c1cc(ccc1)OCC2N=C(N)OC2
+c1cc(ccc1)OCc2c(Cl)c3CN(CCn3n2)C(c4ccc(cc4)F)=O
+c1cc(ccc1)OCc2nn(CCBr)c(C(OCC)=O)c2
+c1cc(ccc1)OCc2nn(c(C)c2-c3c4c(c(CCCOc5cc(C)c(c(C)c5)Cl)c[nH]4)ccc3)C
+c1cc(ccc1)Oc2c(c(CC(O)=O)ccc2)OC
+c1cc(ccc1)Oc2c(cc(F)cc2)N(C(=O)C)Cc3c(ccc(OC)c3)OCCOS(=O)(=O)C
+c1cc(ccc1)Oc2c(ccc3c2CCC(C)N3C(C)=O)-c4ccc(cc4)S(=O)(=O)C
+c1cc(ccc1)Oc2c3c(c(c(n2)C)C)n(c(C)n3)CCCCCSC
+c1cc(ccc1)Oc2c3c(ccc2)c(OC)c(nc3C#N)C(NCC(O)=O)=O
+c1cc(ccc1)Oc2cc(Br)cnc2Nc3scc(n3)CCc4oc(C)nn4
+c1cc(ccc1)Oc2cc(Cl)cnc2Nc3scc(C)n3
+c1cc(ccc1)Oc2cc(c(cc2C3=CN(C)C(=O)C=C3)NS(=O)(=O)C)C
+c1cc(ccc1)Oc2cc(cnc2Nc3nc4c(nccc4)s3)Br
+c1cc(ccc1)Oc2cc3nc(-c4ncccc4)nn3c(N)c2
+c1cc(ccc1)Oc2ccc(CNC(=O)c3c(nc4CCCc4c3)N)s2
+c1cc(ccc1)Oc2ccc(CNC(c3ccc(nc3N)NC4CC4)=O)s2
+c1cc(ccc1)Oc2ccc(cc2)-c3c(C#N)c(N)n(C4CC5CC4CN5C(=O)OCc6ccccc6)n3
+c1cc(ccc1)Oc2ccc(cc2)NC(Nc3cc4nc(Cc5ccccc5)n(c4cc3)CCN(C)C)=O
+c1cc(ccc1)Oc2ccc(cc2)Nc3ncnc(Nc4cccc(NC)n4)c3
+c1cc(ccc1)Oc2ccc(cc2C(=O)O)C(=O)c3ncc(cc3)N(C)c4ccc(cc4)Cl
+c1cc(ccc1)Oc2cccc(c2)Nc3cc(Nc4cc(NC(C=C)=O)ccc4)ncn3
+c1cc(ccc1)Oc2cccc(c2NC(=O)C)CC(O)=O
+c1cc(ccc1)Oc2cccc3c(nc(C(NCC(O)=O)=O)c(O)c23)C#N
+c1cc(ccc1)Oc2nccc3c2cc(c(N(C4CCCC4)C(=O)C)c3)C
+c1cc(ccc1)Oc2nnc(N3CCN(C(C)C3)c4ncc(nc4)C(=O)OC)c(C)c2C
+c1cc(ccc1)P(c2ccccc2)(c3cc(ccc3)O)=O
+c1cc(ccc1)S(=O)(=O)CC=CC=CC(=O)NO
+c1cc(ccc1)S(=O)(=O)Cc2c(N)ccc(c2)N3CCN(CC3)Cc4ccccc4
+c1cc(ccc1)S(=O)(=O)N(CC(c2cc(ccc2)Cl)CCCN3CCC4(CC3)c5ccccc5SC4)C
+c1cc(ccc1)S(=O)(=O)N(c2cccc(c2)N3C(NCC3)=O)Cc4ccccc4
+c1cc(ccc1)S(=O)(=O)N2CCN(C(OCc3ccccc3)=O)CC2CCC=CC(=O)OCC
+c1cc(ccc1)S(=O)(=O)N2c3ccc(cc3CC2)C=CC(O)=O
+c1cc(ccc1)S(=O)(=O)N2c3ccc(cc3CC2)CC
+c1cc(ccc1)S(=O)(=O)NC(Cc2ccc(cc2)OCCCC(N=C3NCCCN3)=O)C(=O)O
+c1cc(ccc1)S(=O)(=O)NCC=2OC(C=O)=C(OCc3ccccc3)C(=O)C=2
+c1cc(ccc1)S(=O)(=O)Nc2c3c(cn(c3ncc2)C4CN(C4)C)-c5cc6c(CCN6C)cc5F
+c1cc(ccc1)S(=O)(=O)c2c([nH]c3ccc(cc23)Cl)NC(=O)C4CC4
+c1cc(ccc1)S(=O)(=O)c2ccc3c(CNC(=O)CNC)cccc3c2
+c1cc(ccc1)S(=O)(=O)c2cccc3cc([nH]c23)C(=O)Nc4c(-c5nnn[nH]5)cc(C#N)cc4
+c1cc(ccc1)S(=O)(=O)n2c(c(c(c2)CNC)C(C)C)Br
+c1cc(ccc1)S(=O)(=O)n2c3nccc(c3cc2I)OC
+c1cc(ccc1)S(=O)(=O)n2ccc(C=O)c2C
+c1cc(ccc1)S(=O)(=O)n2ccc(c2)C3=C(c4ccccc4)C(NC(=O)N3)c5cc(c(c(c5)[N+]([O-])=O)O)OCC
+c1cc(ccc1)S(=O)(=O)n2ccc3c(c(cnc23)-c4cc(F)ccc4)Cl
+c1cc(ccc1)S(=O)c2ccc(nc2)OC
+c1cc(ccc1)S(=O)c2cnc(cc2)Cl
+c1cc(ccc1)S(c2c3c(cc(cc3)OC)ncc2)=O
+c1cc(ccc1)S(c2c3c(cccc3)n(c2)C)=O
+c1cc(ccc1)SCc2cc3cc(ccc3c(-c4ccccc4)c2)O
+c1cc(ccc1)Sc2c3c(c(ccc3)N4CCNCC4)[nH]c2
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC#CCCO
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)OCC(C)(C)c3nc(N)sc3
+c1cc(ccc1)[Si](c2ccccc2)(C(C)(C)C)Oc3cc(Br)cc(c3)Nc4cnccc4
+c1cc(ccc1)[Si](c2ccccc2)(OCCC3(C(C(=O)OC)(C(=O)OC)C3)c4cc(Cl)c(Cl)cc4)C(C)(C)C
+c1cc(ccc1)[Si](c2ccccc2)(OCCC=3C(=O)N(C=CC=3)c4c(cc(N)cc4)OC)C(C)(C)C
+c1cc(ccc1)[Si](c2ccccc2)(OCCN(Cc3ccc(cc3)C=O)C)C(C)(C)C
+c1cc(ccc1)[Si](c2ccccc2)(OCCOC3CCC(CC3)C=O)C(C)(C)C
+c1cc(ccc1-c2[nH]c3c(cc(cn3)NC(=O)c4c(C)c(C)[nH]n4)c2)P(C)(C)=O
+c1cc(ccc1-c2[nH]nnn2)CCC(C=Cc3c(cccc3)OCCCCCc4ccccc4)CCCCC(OCC)=O
+c1cc(ccc1-c2c(-c3c(Cl)cc(cc3)Cl)nc(c(C#N)c2)O)F
+c1cc(ccc1-c2c(-c3c(cccc3)Cl)nc(c(c2)C#N)OCCN)Cl
+c1cc(ccc1-c2c(-c3ccc(cc3)CN4CCC(CC4)c5nnc(-c6cccc(n6)C)[nH]5)nc7nccn7c2)F
+c1cc(ccc1-c2c(Br)n3c(n2)CCCC3)F
+c1cc(ccc1-c2c(C#N)c(nc(SCc3coc(n3)-c4ccc(cc4)Cl)c2C#N)N)OCC(CO)O
+c1cc(ccc1-c2c(C#N)c3c(n2CC)cc(cc3)OC)OCCOC
+c1cc(ccc1-c2c(C(NC)=O)c3c(cc(N(C)S(=O)(=O)C)c(C4CC(c5oc6c(n5)c(ccc6)F)N(C4)C)c3)o2)F
+c1cc(ccc1-c2c(C(NC)=O)c3cc(c(cc3o2)N(C)S(=O)(=O)C)C4CCCN(c5nc6c(C#N)cccc6o5)C4)F
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+c1cc(ccc1F)-c2ccc(COc3cc(c(cc3)CCCCn4nncc4)C)c(C)n2
+c1cc(ccc1F)-c2ccc(cc2)C(N(C)C3CCc4c(ccc(CN)c4)C3)=O
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+c1cc(ccc1F)-c2cccc(c2)-c3oc(C)c(CCO)n3
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+c1cc(ccc1F)-c2csc3ncnc(CCCCOc4cncc(C(N)=O)c4)c23
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+c1cc(ccc1Oc2ccc(cc2)CN(c3cccc([N+](=O)[O-])c3C)Cc4ccc(cc4F)Cl)CCC(OC)=O
+c1cc(ccc1Oc2ccc(cc2)S(=O)(=O)C)N
+c1cc(ccc1Oc2ccc(cc2)[N+]([O-])=O)CBr
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+c1cc(ccc1Oc2cccc(C(NC3C4OCC(C4OC3)NC(C5CC5)=O)=O)c2)OCC
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+c1cc(ccc1Oc2ccccc2)-c3c(ncnc3N)NC4CC5(C4)CN(C5)C(=O)C#C
+c1cc(ccc1Oc2ccccc2)-c3c4c(cc(n3)C5CCN(CC5)C(=O)CC#N)[nH]nc4N
+c1cc(ccc1Oc2ccccc2)-c3nc(-c4ccc(cc4)NC(C)=O)cc5n[nH]c(c35)N
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+c1cc(ccc1Oc2ccccc2)N3c4c(N)ncnc4N(c5cc(ccc5)NC(=O)C=CCBr)C3=O
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+c1cc(ccc1Oc2ccccc2)Nc3ncnc4cc(c(NC(CP(OCC)(OCC)=O)=O)cc34)OC
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+c1cc(ccc1Oc2nc3cnccc3c(n2)O)N(CC4c5ccccc5CCC4)C
+c1cc(ccc1Oc2ncc(C#CC(C)NC(C)=O)s2)OCC3CCCC3
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+c1cc(ccc1S(=O)(=O)C)C(C(=O)Nc2cnc(cn2)CO)Cc3cc(F)ccc3
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+c1cc(ccc1S(=O)(=O)CCC2NC(c3ccccc23)=O)C
+c1cc(ccc1S(=O)(=O)CCCOc2c(c(c(cc2)C(C)=O)O)CCC)C(CCCCC(O)=O)=O
+c1cc(ccc1S(=O)(=O)Cc2c(C)oc(-c3ccc(cc3)C(=O)NCc4cnccn4)n2)C
+c1cc(ccc1S(=O)(=O)Cl)C(=O)N2CCN3CCCC3C2
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+c1cc(ccc1S(=O)(=O)N)C2CN(Cc3c2cc(cc3Cl)Cl)C
+c1cc(ccc1S(=O)(=O)N)Nc2nnc(N)[nH]2
+c1cc(ccc1S(=O)(=O)N2CCC(CC2)(c3c(C)cc(cc3)F)C#N)C
+c1cc(ccc1S(=O)(=O)N2CCCC2)-c3c4cc(C=O)n(c4ncc3)S(=O)(=O)c5ccccc5
+c1cc(ccc1S(=O)(=O)NC2CCCCc3c(OCC(=O)O)cccc23)-c4cccc(c4)C(C)C
+c1cc(ccc1S(=O)(=O)NC2CCOCC2(C)C(=O)NO)OCc3c4c(nc(c3)C)cccc4
+c1cc(ccc1S(=O)(=O)NCC2Cc3c(cc(cc3)CCC(=O)O)C2)Cl
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+c1cc(ccc1S(=O)(=O)Nc2c(F)cc(cc2F)F)C(=O)NCC(O)C(O)CO
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+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)c3ccncc3)Cl)C4(CCOCC4)C
+c1cc(ccc1S(=O)(=O)OCC(C#N)(c2ccc(cc2)Br)C)C
+c1cc(ccc1S(=O)(=O)OCC2CCC(CC2)NC(c3cc(cnc3C)Cl)=O)C
+c1cc(ccc1S(=O)(=O)OCC2OC(C(C2)OC(C)=O)n3cnc4c(N)ncnc34)C
+c1cc(ccc1S(=O)(=O)OCC2Oc3ccccc3-c4n(C2)c5c(cccc5)n4)C
+c1cc(ccc1S(=O)(=O)OCCC2c3c(CCC=4CC=CCC2=4)cccc3)C
+c1cc(ccc1S(=O)(=O)OCCCc2ccc(cc2)C)C
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C
+c1cc(ccc1S(=O)(=O)OCc2cc(c(F)cc2)Cl)C
+c1cc(ccc1S(=O)(=O)OCc2ccc(cc2)OC(=O)C(C)=C)C
+c1cc(ccc1S(=O)(=O)Oc2c(cnn2CC)C(c3cc(c4S(=O)(=O)CCC(c4c3C)C)C)=O)C
+c1cc(ccc1S(=O)(=O)c2c(cccc2)Br)C=O
+c1cc(ccc1S(=O)(=O)c2c3ccc(S(=O)(=O)C)cc3ccc2OC)F
+c1cc(ccc1S(=O)(=O)n2c3c(c(OC(C)C)ccn3)c(c2)I)C
+c1cc(ccc1S(=O)(=O)n2c3c(cc2I)c4n(ncc4cn3)C)C
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCCI)c(cc45)OC)C)C
+c1cc(ccc1S(=O)(=O)n2c3ncccc3cc2-c4cn(c5cc(OCCOC(=O)C)c(cc45)OC)C)C
+c1cc(ccc1S(=O)(=O)n2cc(-c3nc(Cl)ccn3)c4cc(ccc24)-c5oc(NCc6ccc(cc6)OC)nn5)C
+c1cc(ccc1S(=O)(=O)n2cc(I)c3cc(-c4cc(C=O)ccc4)cnc23)C
+c1cc(ccc1S(=O)(=O)n2cc(c3c(ccnc23)Oc4c(cc(cc4F)NC(=O)C)F)Br)C
+c1cc(ccc1S(=O)(=O)n2cc(c3c2cccc3-c4nc5c(CNCC5)c(OC)n4)C)C
+c1cc(ccc1S(=O)(=O)n2cc(c3cc(F)ccc23)S(=O)(=O)N(C)C)C
+c1cc(ccc1S(=O)(=O)n2cc(cc2-c3ccccc3)C=O)OC
+c1cc(ccc1S(=O)(=O)n2ccc3C(c4ccc5OCC(Nc5c4Oc6ccccc6)=O)=CN(C(=O)c23)C)C
+c1cc(ccc1S(=O)C2CN(C2)CCC(N)CO)Cl
+c1cc(ccc1S(C2(CCCC2)CC(=O)NO)=O)Oc3ccccc3
+c1cc(ccc1SC(CC)C)OCCOC(=O)NCC
+c1cc(ccc1SC)Nc2nc3n(ccc3c(n2)Nc4cc5c(cc4)c[nH]n5)S(=O)(=O)c6ccc(cc6)C
+c1cc(ccc1SCC(CC)=O)-c2c(n3CCCc3n2)-c4ccncc4
+c1cc(ccc1SCC(NC(=O)CCCCCCc2ccccc2)CCC(OC3CCCCC3)=O)Cc4ccccc4
+c1cc(ccc1SCC2CCCCC2C(NCC#N)=O)SC
+c1cc(ccc1SCCCI)NS(=O)(=O)C
+c1cc(ccc1SCc2c3c(CCNCC3)ccc2Cl)-c4nc(NCC5CC5)sc4
+c1cc(ccc1Sc2c(N)cccc2)Cl
+c1cc(ccc1Sc2c([N+](=O)[O-])cc(cc2)OC(C)c3ccc(cc3)Br)O
+c1cc(ccc1Sc2c(nc(N)nc2C)NCCCC)CC(O)=O
+c1cc(ccc1Sc2ccc(C)cc2Nc3ccnc4c3ccc(CCC)n4)OS(=O)(=O)C(C)C
+c1cc(ccc1Sc2ccc(cc2)C(=O)NC(C(O)C)C(=O)NO)CN3CCOCC3
+c1cc(ccc1Sc2ccc(cc2)CCC(CO)(CO)NC(=O)C)-c3nc(CCC)oc3
+c1cc(ccc1[N+](=O)[O-])-c2c(cn(CC)n2)-c3cc(nc4c3cc[nH]4)Cl
+c1cc(ccc1[N+](=O)[O-])-c2ccc(cc2)OCCc3nc(sc3)SC(C)(C)C(=O)O
+c1cc(ccc1[N+](=O)[O-])-c2nc(S(=O)C)[nH]c2
+c1cc(ccc1[N+](=O)[O-])COC(C=2N3C(C(C(OC(C)=O)c4c5C6CC(CC6)c5n(C)n4)(Br)C3SC=2)=O)=O
+c1cc(ccc1[N+](=O)[O-])NC(N(O)C2CCCCCCC2)=O
+c1cc(ccc1[N+]([O-])=O)-c2cc(c(C(=O)CBr)cc2)C
+c1cc(ccc1[N+]([O-])=O)-n2c(COC)nc(-c3c(noc3C)-c4ccccc4)c2
+c1cc(ccc1[N+]([O-])=O)C(COC)CC
+c1cc(ccc1[N+]([O-])=O)C2C(=C(NC(CCC)=C2C(OCc3ccccc3)=O)CCC)C(=O)OCCC#N
+c1cc(ccc1[N+]([O-])=O)C=Cc2ccc(N(CC=C)C)c(CC=C)c2
+c1cc(ccc1[N+]([O-])=O)CC(C(=O)OC)NC(C)=O
+c1cc(ccc1[N+]([O-])=O)CC(Nc2ccc(cc2)CC(NCCN(C)C)=O)=O
+c1cc(ccc1[N+]([O-])=O)CCN2CCC3(CC2)C(=O)c4c(cccc4)C3
+c1cc(ccc1[N+]([O-])=O)CCN2CCN(CC2)CCc3ccc(c(c3)F)C#N
+c1cc(ccc1[N+]([O-])=O)COC(=O)C2=C(CSC3N2C(C3NC(C(=NOCC(C)C)c4csc(NC=O)n4)=O)=O)O
+c1cc(ccc1[N+]([O-])=O)COC(=O)C2=C(CSC3N2C(C3NC(C(c4csc(NC=O)n4)=NOCC)=O)=O)O
+c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3C(Br)(C(c4nc5n(CCN(Cc6ccccc6)C5)c4)OC(=O)C)C(N23)=O)=O
+c1cc(ccc1[N+]([O-])=O)Cn2ncc3cnc(SC)nc23
+c1cc(ccn1)-c2c(-c3cc(O)c(Cl)cc3)[nH]c(C(C)(C)CNCc4ccccc4)n2
+c1cc(ccn1)-c2c(-c3ccc(c(O)c3)N)c4nccc(n4n2)C5CC6CCC(C5)N6CC
+c1cc(ccn1)-c2c(NN)nncc2-c3ccc(cc3)Cl
+c1cc(ccn1)-c2c3CC(Oc3c(cc2C)N)C
+c1cc(ccn1)-c2c3c([nH]n2)ccc(-c4nn(C)c(n4)C5CN(Cc6c(F)cccc6OC)CCC5)c3
+c1cc(ccn1)-c2c3c(nc(nc3[nH]c2)Nc4ccc5c(CCC(=O)N5C)c4)Nc6ccc(cc6)F
+c1cc(ccn1)-c2cc(OC(C)C)c(cc2C)[N+]([O-])=O
+c1cc(ccn1)-c2cc3c(s2)C(NC(C)(CC)N3CC)=O
+c1cc(ccn1)-c2cccc(c2-c3ccc(cc3)OCc4ccc5ccccc5n4)S(=O)(=O)C
+c1cc(ccn1)-c2cn3c(c(N4CCOCC4)cc(NN=Cc5cccc(C(C)CCCC)c5)n3)n2
+c1cc(ccn1)-c2nc(NCC(N)Cc3ccccc3)ccc2-c4cccc(C)c4
+c1cc(ccn1)-c2nc(nc(Nc3cc(c(cc3)Oc4cc5cn[nH]c5cc4)F)c2)N
+c1cc(ccn1)-c2nc3c(o2)ccc(CCC)c3
+c1cc(ccn1)-c2nnc(C(C)NC(c3sccc3)=O)[nH]2
+c1cc(ccn1)-c2oc3c(n2)cc(cc3)OC
+c1cc(ccn1)-c2sc3C(NC(c4ccccc4)Nc3c2)=O
+c1cc(ccn1)C#Cc2ccc(cc2)OCc3nc4c(cc3)cccc4
+c1cc(ccn1)C(Cn2c3c(c4c2ccc(c4)C)CN(CC3)CCO)O
+c1cc(ccn1)C(NC(C(C)(C)Cc2ccccc2)n3nnc4ccccc34)=O
+c1cc(ccn1)C(NC2CCC(CC2)COc3cccc4nc(C)c(C(=O)OCC)c(c34)N)=O
+c1cc(ccn1)C2(N=C(c3c(F)cccc23)N)c4ccc(F)c(c4)-c5cncc(C#N)c5
+c1cc(ccn1)C=Cc2cccc(N3c4ncccc4N=C(Cc5cnccc5)C3=O)c2
+c1cc(ccn1)CCNCc2cc(-c3nc(NCCc4ccc(c(c4)Cl)O)ncc3)ccc2
+c1cc(ccn1)CN2C(COc3ccc(cc3)Cc4ccccc4)CCC2
+c1cc(ccn1)CN2CC(C)(C)C(NC(=O)CC3N(S(=O)(=O)c4ccc(cc4)C)C=CNC3=O)CC2
+c1cc(ccn1)Cn2ncnc2-c3sc4CCOc5c(-c4n3)ccc(c5)-c6cn(nc6)CC(C)(C)O
+c1cc(ccn1)N2CCC(CC2)C(Nc3ccc4[nH]nc(-c5[nH]c6ccccc6n5)c4c3)=O
+c1cc(ccn1)NC(=O)c2[nH]nc(Nc3c4c(cco4)nc(N5C(CCC5)c6ccccn6)n3)c2
+c1cc(ccn1)NC(c2ccc(cc2)C(=O)CNC(OCc3ccccc3)=O)=O
+c1cc(ccn1)Nc2c(OCCN(C)C)cnc(-c3nn(Cc4c(cc(cc4F)OCC)F)c5c3CCC5)n2
+c1cc(ccn1)OCCOc2cc3ncnc(Cl)c3cc2OC
+c1cc(ccn1)SCCCN(C(C)=O)Cc2ccccn2
+c1cc(nc(-c2c(cnc(NC3CC(C(=O)O)CC3)c2)Cl)c1)NCc4cc(ccc4)F
+c1cc(nc(CF)c1)C#CCCNC(=O)c2c(cccc2)Cl
+c1cc(ncc1Br)C(C2CN(CC2)C)=O
+c1cc(ncc1Br)C2=NOC(CNC(C)=O)C2
+c1cc(ncc1Br)CS(=O)C
+c1cc-2c(cc1)C(c3ccccc-23)C(=O)NCC(=O)NC(C4=Nc5cccc(c5C(=O)O4)C)C(C)C
+c1cc2-c3c(CCOc2cc1C(NCC)=O)cc(C(N(c4c(Cl)cccc4)C)=O)s3
+c1cc2CCN(CCc2cc1C#N)C(C)=O
+c1cc2N3C(CCC3)c4nc(OCCCNC(c5cnn1c5n2)=O)ccc4
+c1cc2[nH]cc(CC#N)c2c(c1OCCC)Cl
+c1cc2c(CCC2C(=O)O)cc1F
+c1cc2c(CN(CC2)c3nc(C#N)cc4c(CO)c(n(CC=C)c34)C)cc1
+c1cc2c(N(CC3CCCCCN23)CCN)cc1
+c1cc2c(cc1)C(c3ccccc3O2)C(C(=O)c4ccc(cc4C)Br)C(=O)OCC
+c1cc2c(cc1I)C(C2)=O
+c1cc2c(cc1I)ncc(n2)C(=O)O
+c1cc2c(ccc(NC(C)=O)n2)cc1CCN
+c1cc2c(cccc2)nc1COc3cc(c(cc3)NCc4cc(ccc4)Br)N
+c1cc2c3ccccc3n(c2cc1)CCCP(O)(O)=O
+c1cc2ccccc2c3c1N(C(=O)CC(=O)N3C)c4cc(ccc4)C#N
+c1cc2n(CCCCC)cc(C(=O)c3cccc4ccccc34)c2cc1OCC(=O)O
+c1cc2n(c(nc2cc1CO)C)CC
+c1cc2n(c3c(C(NCC3)=O)c2cc1F)C
+c1cc2n3c(nc2cc1CO)CN(C)CC3
+c1cc2nc(sc2cc1Oc3c4c(cccc4)ncc3)S(C)=O
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(c(C#N)n(C)n3)C)c1N4N=NN(C4=O)C
+c1ccc(CO)cc1CCCCOC
+c1ccc(Cl)c(-c2n(c3c(cccc3)n2)-c4c(cc(cc4)O)C)c1
+c1ccc(Cl)cc1CCCCCCC(c2ncc(-c3ncccc3)o2)=O
+c1ccc(OC(Cc2c(C)ccc3c2cccc3)C)c(N)c1
+c1ccc(Oc2cc(C)c(OCC(=O)OCC)cc2)cc1C(=O)Cl
+c1ccc(c2c(C)nn(Cc3cccc(C)n3)c12)NC(c4cnc5cc(ccn45)OCC(CO)O)=O
+c1ccc(c2cc[nH]c12)-c3cc4c(c[nH]n4)c(NC(c5n(C)ncc5C)=O)c3
+c1ccc(c[n+]1[O-])C=Cc2cc(ccc2)Nc3c(cccn3)[N+]([O-])=O
+c1ccc(cc1C#Cc2cncc(C=NOC)c2)OC
+c1ccc(nc1Nc2c(nnc(NC3CCCCC3N)c2)C(N)=O)OCC
+c1ccc2C(=O)N(C(=O)c2c1)C(CF)(C(OC)=O)CC(=O)CBr
+c1ccc2C(=O)N(C(=O)c2c1)CC(c3ncc(OC)cc3Cl)=NOC
+c1ccc2C(=O)N(C(c2c1)=O)CCOCCOCCOCCC(=O)Cl
+c1ccc2CN(Cc2c1)C(=O)c3nc(nc4ccc(cc34)-c5ccc(cc5CN(CC)CCO)F)N
+c1ccc2Oc3c(cccc3)-c4c(-c2c1)c(sc4)COCCCN
+c1ccc2c(C(=O)N(C2=O)CCc3n(nc(C#N)c3Br)CCC)c1
+c1ccc2c(OCc3c(C2C(CCC)CNC)cccc3)c1
+c1ccc2c(c(Cl)nc(C)c2N)c1
+c1ccc2c(c(cn2Cc3c(F)cc(-c4cnn(C)c4)cc3)C(NC5C(O)CCC5)=O)c1F
+c1ccc2c(c1)C(=O)N(C2=O)C3CC(c4c(F)cc(c(c4)F)C#N)CC3
+c1ccc2cc(sc2c1)-c3cc(cc4c[nH]nc34)C(=O)O
+c1ccc2ccc(nc2c1)COCCCCOCc3cc(cc(C)c3OCC#N)Cl
+c1ccc2ccc(nc2c1)COCCCCOCc3cccc(C)c3OCC#N
+c1cccc(-c2c(Cl)cccc2OCC=C)c1Cl
+c1cccc(-c2c3c(n[nH]2)ccc(-c4[nH]nnn4)c3)c1O
+c1cccc(-c2ccc(CC#N)c(C)c2)c1Cl
+c1cccc(-c2cnc(CCCCC(=O)O)o2)c1OC
+c1cccc(-c2cnc(OCC(Nc3c(C(=O)O)csc3)=O)cc2)c1OC
+c1cccc(-c2nc(c3c(n2)cc(C)cc3)N4CC(N)CC4)c1O
+c1cccc(-c2noc(CCCCC(=O)O)n2)c1OC
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+c1cccc2CC(Cc12)(C(=O)OC)NC(=O)c3cc(Br)c(c(c3)F)OC
+c1cccc2CC(Cc12)(C)NC(OCc3ccccc3)=O
+c1cccc2CCc3ccncc3C(NC(NNc4c(cc(cn4)C(=O)NC5C(=O)N(CC5)C)Cl)=S)c12
+c1cccc2[nH]cc(C=3CCN(CC=3)CC4COc5c(O4)c6c(nc(cc6)C)cc5)c12
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+c1cccc2c(cccc12)Cn3c(nc4ccccc34)SCCCC(=O)O
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+c1cccc2c1Oc3ccccc3C2(C)CN
+c1cccc2c1Sc3ccccc3C(N2)=O
+c1cccc2c1n3c(-c4cc(ccc4Cl)Cl)nc(C)c3c(n2)C
+c1cccc2c1snc2NCCNC(c3ccc(cn3)C(NC)=O)=O
+c1cccc2nn(nc12)-c3cc(cc(c3O)COCC(CCCC)CC)C
+c1ccccc1-c2c(-c3cc(F)cc(c3O)C=CC)cccc2
+c1ccccc1-c2c(-c3ccccc3)ncc(N(C)C4CCc5c4cccc5OCOC)n2
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+c1ccccc1-c2c(c(n[nH]2)CCC#N)Br
+c1ccccc1-c2c(c(on2)C)COc3ccc(cn3)C(=O)NCc4ccccn4
+c1ccccc1-c2c(c3c(cccc3)[nH]2)CCNC(C(CCCCCC(=O)O)NC(=O)c4sccc4)=O
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+c1ccccc1-c2c(ccc(OC)c2)-c3cc4c(c5ccc(Br)cc5n4-c6ccccc6)cc3
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+c1ccccc1-c2c3ccccc3nc(N4CCN(CC4)C)n2
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+c1ccccc1-c2cc3c(cc2)C(=Cc4cc5c([nH]4)ccc(CCCN(CC)CC)c5)C(=O)N3
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+c1ccccc1-c2nc(c(cn2)CNc3cc(C)c(c(c3)C)NC(OCCC)=O)C
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+c1ccccc1-c2nc(nc3-c4c(cccc4C(c23)=O)N5CCC(CC5)Oc6ccc(cc6)OC)N
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+c1ccccc1-c2nc(no2)-c3ccc(cc3)NC(=O)OC
+c1ccccc1-c2nc(oc2-c3ccccc3)C4CCCCC4Cc5cc(ccc5)O
+c1ccccc1-c2nc(on2)C3CC(CC3)Nc4c5c([nH]nc5)ncn4
+c1ccccc1-c2nc(sc2)-c3ccc(cc3)-c4[nH]nnn4
+c1ccccc1-c2nc3c(c(C(=O)NC(CC)c4ccccc4)c2CNS(=O)(=O)C)cccc3
+c1ccccc1-c2nc3cc(COC(C)=O)ccc3o2
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+c1ccccc1-c2nn(C)c3C4(c5ccccc5)C=C(C#N)C(C(C4CCc23)C)=O
+c1ccccc1-c2nnc(CCC(NNC3=NC(=O)c4nc[nH]c4N3CCCCC)=O)o2
+c1ccccc1-c2oc(C)c(n2)COc3cccc(COc4nn(cc4C=O)Cc5ccccc5)c3
+c1ccccc1-c2onc(c2CCC)-c3onc(-c4ccc(cc4)CCBr)n3
+c1ccccc1-c2onc3ccc(cc23)CC#N
+c1ccccc1-c2sc(c(N(C(C3CCC(CC3NC(=O)C)C)=O)C(C)C)c2)C(=O)O
+c1ccccc1-c2sc(nn2)NC(=O)c3c(N)c4cc(cnc4s3)C(=O)O
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+c1ccccc1-n2c(c(C=Cc3nc4c(cc3)cc(N(C)C)cc4)cc2C)C
+c1ccccc1-n2c(c(c3c2cccc3)C=O)N4CCN(CC4)CCOP(OCC)(OCC)=O
+c1ccccc1-n2c(nc3cc(-c4nc5ccccc5o4)ccc23)C
+c1ccccc1-n2c3c(c4ccc(Cl)cc24)cccc3
+c1ccccc1-n2c3ccccc3c(c2N4CCN(CC5OC5)CCC4)C=O
+c1ccccc1-n2cc(-n3c(c(c4ccc(cc34)Cl)Sc5cc(ccc5)C(OCC)=O)C)cn2
+c1ccccc1-n2cc(C#N)c(-c3oc([N+](=O)[O-])cc3)n2
+c1ccccc1-n2cc(c(CCN)n2)C
+c1ccccc1-n2cnc3cc(C#N)cc(-c4cccc(c4)OC)c23
+c1ccccc1-n2nc(cc2-c3cccc(c3)CCC)NC(=O)C45CC4C(NC5)=O
+c1ccccc1-n2ncc3c2ncnc3NN=Cc4ccc(cc4)C(NCc5ncccc5)=O
+c1ccccc1-n2nncc2COc3c4c(cc(OC)c3)oc(-c5cn6c(n5)sc(n6)OC)c4
+c1ccccc1C#CC(c2ccc(c(c2OC)OC)[N+]([O-])=O)O
+c1ccccc1C#Cc2ccc(OCCC)c(C(NC(CO)Cc3c[nH]c4ccccc34)=O)c2
+c1ccccc1C#Cc2ccc(c(C(NC(C)(Cc3c4ccccc4[nH]c3)CO)=O)c2)OC(C)C
+c1ccccc1C#Cc2ccc(cc2)OCCc3nc(sc3)SC(C)(C)C(=O)O
+c1ccccc1C#Cc2ccc3N=C(CC(=O)Nc3c2)c4cccc(-n5c(nc(C)c5)C)c4
+c1ccccc1C(=O)C2CC3CCC(C2)S3
+c1ccccc1C(=O)N(C)CCOc2ccc(cc2)CC3SC(=O)NC3=O
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+c1ccccc1C(=O)N2CC(N(S(=O)(=O)c3ccc(s3)C(N(C)OC)=O)CC2)C
+c1ccccc1C(=O)N2Cc3c(CC2)nnc(c3)NN=C4CCCCC4
+c1ccccc1C(=O)NC2C(OC)CNCC2
+c1ccccc1C(=O)Nc2ccc(c(N)c2)OC
+c1ccccc1C(=O)Nc2ccc(cc2)-c3occ(-c4cc(Cl)ccc4)n3
+c1ccccc1C(=O)Nc2ccc(cc2)C(CC3CCCC3)C(=O)Nc4sccn4
+c1ccccc1C(=O)Nc2cccc(N3CCc4c(cnc5ccnn45)C3)c2
+c1ccccc1C(=O)Nc2sc3c([nH]nc3-c4cc(ccc4)Cl)n2
+c1ccccc1C(=O)Nc2sc3cc(Nc4nc(Nc5n[nH]c(c5)C)ccn4)ccc3n2
+c1ccccc1C(=O)Nc2sc3cc(ccc3n2)Nc4c5c(cc(OC)c(c5)OCCCN6CCN(CC6)C)ncn4
+c1ccccc1C(=O)OC2(CC2)CCOS(=O)(=O)C
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+c1ccccc1C(=O)OCCN2C(CC)(C)C(C3(NC(N(C3=O)CCCCCCCC)=O)CC2(C)CC)C
+c1ccccc1C(=O)c2cc(Br)ccc2C(N(Cc3ccc(cc3)S(=O)(=O)C)CC(=O)CCC)=O
+c1ccccc1C(C(=O)N)Nc2ccc(C#N)c(c2)Nc3snc(C)c3
+c1ccccc1C(C)(COC2OCCCC2)CCCCCN
+c1ccccc1C(C)n2c3nc(ncc3c(c2C)C(=O)NCc4c(cc(nc4O)C)C)OC
+c1ccccc1C(CCCC#N)c2c(C)c(c(c(C)c2OC)C)OC
+c1ccccc1C(CCCCBr)(C)COC2OCCCC2
+c1ccccc1C(CCCCCn2cnc3c[n+](c4c(cccc4)c23)[O-])=O
+c1ccccc1C(CCN)Nc2nc(-c3n4ccnc(N5CCN(CC5)C)c4nc3)ccn2
+c1ccccc1C(CCc2cccc(OC)c2)N
+c1ccccc1C(CNc2nc(nc3sc(cc23)C)C)=O
+c1ccccc1C(COC(=O)C2N3C(CC2)=CC(=CC3=O)c4c(-n5nnnc5)ccc(Cl)c4)=O
+c1ccccc1C(Cc2ccc(cc2)OCCc3cccc(NC)n3)CC(OCC)=O
+c1ccccc1C(N)CC(OCCC)=O
+c1ccccc1C(N2C(C(CC2)CN)C(=O)N)C
+c1ccccc1C(N2C(CC(C2)(CCBr)COC)=O)C
+c1ccccc1C(N2C(OCCCCCC)CCC2=O)=O
+c1ccccc1C(N2CC3(CN(C3)C(NCc4ccc(cc4Cl)Cl)=O)C2)=O
+c1ccccc1C(NC(=S)Nc2cc(cc(Br)c2)OCc3ccccc3)=O
+c1ccccc1C(NCCc2nc(sc2)Nc3c(cccn3)OCc4ccccc4)=O
+c1ccccc1C(Nc2cc(-c3ccccc3)ccc2C(=O)O)=O
+c1ccccc1C(Nc2ccc(c(OCc3c4c(c(cnc4N)C(=O)NCCO)sc3)c2)C)=O
+c1ccccc1C(Nc2ccc(cc2)CC(=O)O)=C3c4ccccc4NC3=O
+c1ccccc1C(Nc2ccc(cc2)N(C)C(=O)C)=C3c4ccccc4NC3=O
+c1ccccc1C(Nc2cccc3CCN(S(=O)(=O)c4ccc(cc4)OC)c23)=O
+c1ccccc1C(Nc2cnc(c(C3=NN(C(C)C)C(=O)C=C3)c2)-c4ccccc4)=O
+c1ccccc1C(Nc2nc3c(cc(cc3)Sc4n5cccnc5nc4)s2)=O
+c1ccccc1C(Nc2nccc(-c3nc(N4C5CNC(C4)C5)nc(c3)C)c2)C
+c1ccccc1C(O)CN(CCc2ccc(cc2)-c3ccc(C(=O)OC)c(c3)NC(C)C)Cc4ccccc4
+c1ccccc1C(OC2CN(C(C2)C(=O)O)C(OCc3ccc(cc3)[N+]([O-])=O)=O)=O
+c1ccccc1C(Oc2cc(c(-c3c(COc4c(C)ccc(c4)F)c5c(NC(C)(C)C=C5C)cc3)cc2)OC)=O
+c1ccccc1C(c2[nH]c3cc(C)ccc3c2CN(C=O)C)C4=C(O)C(C)(c5ccc(cc5)C)C4=O
+c1ccccc1C(c2c(cc(Cl)cc2)C)NC(Cc3cc4nc(-c5c(C)ccnc5C)oc4cc3)=O
+c1ccccc1C(c2cc(S(=O)(=O)C)ncn2)OC
+c1ccccc1C(c2cc(ccc2)OC)CCC(O)=O
+c1ccccc1C(c2cc3ccc(cc3c(c2)CCCNC(=O)C)OC)=O
+c1ccccc1C(c2ccccc2)(C(=O)N)CCC(C)(C)N(C)CCc3ccc(cc3)F
+c1ccccc1C(c2ccccc2)(C(N)=O)C3CN(CCc4ccc(cc4)C(=O)N)CC3
+c1ccccc1C(c2ccccc2)(C(O)C(=O)O)C
+c1ccccc1C(c2ccccc2)(C3CN(CC3)CCc4cc5c(cc4)CCC5)C(=O)N
+c1ccccc1C(c2ccccc2)(CN)CN(C)CCO
+c1ccccc1C(c2ccccc2)(CN)CNCC(C)(C)C
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CCC(CC4)CN
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCC(CCO[Si](C)(C)C(C)(C)C)O
+c1ccccc1C(c2ccccc2)(c3ccccc3)OCCC4CCC(CC4)O
+c1ccccc1C(c2ccccc2)(c3ccccc3)SCCNC(CCCCCN(C)CCN)=O
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(F)nc(c4)CCCS(=O)(=O)CC
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(c(n4)-c6cc(ccc6)Br)cnc(Cl)n5
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(nc4)c(C)c(-c6ccc(cc6)OCCCl)cc5
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4nc(N5CCOCC5)c6c4cc(nc6CO)Cl
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4ncc5c4cc(c(CCNCc6ccc(cc6)F)c5)N
+c1ccccc1C(c2ccccc2)C3CCN(CC3)c4nc5c([nH]4)cccc5
+c1ccccc1C(c2ccccc2)C3OCCC(NCc4ccc(cc4)F)C3
+c1ccccc1C(c2ccccc2)CCN3CCN(CC3)c4cc(C(N(Cc5ccccc5)C)=O)ccc4
+c1ccccc1C(c2ccccc2)N(CCN(CCCCNC(C=Cc3cnccc3)=O)C)C
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CN(C)C(c4c(N)cccc4)=O
+c1ccccc1C(c2ccccc2)N3CCN(CC3)C(C4C(CNC(C)(C)C)C4)=O
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CC4OC(N(CCN5CCOCC5)C4)=O
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCN4C(Nc5cc(ccc45)C(F)(F)F)=O
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCCNc4cc(ccc4O)C
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCNC
+c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOCCN
+c1ccccc1C(c2ccccc2)NC(N3CCN(CC3)C(C4CCN(CC4)C)c5ccc(cc5)F)=O
+c1ccccc1C(c2ccccn2)C(OC)=O
+c1ccccc1C(c2cnc3c(c2Nc4c(C)cccc4)cccc3OC)=O
+c1ccccc1C(n2c(C)c(C(NCc3c(O)nc(cc3C)C)=O)c4c2cccc4)C
+c1ccccc1C2(CC(C2)C)c3c(C(=O)CN=[N+]=[N-])ccc(OCc4ccc5cc(ccc5n4)F)c3
+c1ccccc1C2(CC2)c3nc4c(nc(-c5ccc(cc5F)CCNS(=O)(=O)C)s4)cc3
+c1ccccc1C2(CCN(CC2)CCNC(=O)CC(C)=O)c3ccccc3
+c1ccccc1C2(CCN(CC2)CCOCCOC(=O)C(C(C)=O)=Cc3cc([N+]([O-])=O)ccc3)c4ccccc4
+c1ccccc1C2(CNc3c2ccc(c3)C#N)C
+c1ccccc1C2(c3ccccc3)CCCN(C2=O)Cc4onc(-c5ccc(cc5)OCC(C)C)n4
+c1ccccc1C23C(CCc4c(nc(-c5ccccc5OC)nc24)OC)C(c6oncc6C3)C
+c1ccccc1C2=C(CN(C(=O)C)CC2)COc3c(C=O)c(ccc3)O
+c1ccccc1C2=C(N(C(=O)c3ccccc23)C)C=CC(O)CC(O)CC(O)=O
+c1ccccc1C2=CC(C(OCCN(C)C)=O)=C3N(Cc4ccccc34)C2=O
+c1ccccc1C2=CN(C(C)=O)C(C(C)C)C(N2CC(=O)NC(C(C#N)OC(C)=O)Cc3ccccc3)=O
+c1ccccc1C2=Cc3c(c(nc(-c4cccnc4)c3N(C(C)c5ccccc5)C2=O)C(=O)NCCC(O)=O)O
+c1ccccc1C2C(C)(C)OC(N2c3ccc(cc3)N4C(C=CC(c5ncccn5)=C4)=O)=O
+c1ccccc1C2C(CCCCC)=NNC2
+c1ccccc1C2CC(c3c(O2)cc(c(c3)-c4cccnc4F)F)=NC#N
+c1ccccc1C2CC(c3ccc(OC)c(OC)c3C2)(O)CN
+c1ccccc1C2CCC(CC2)CNC(c3ccc(cc3)F)=O
+c1ccccc1C2CCc3c2nc(Nc4ccc(c(c4)OC)-n5cc(nc5)Cl)nc3NC(C)C
+c1ccccc1C2CN(C)CCc3c2ccc(O)c3N
+c1ccccc1C2COC(C(CC=CCC(C)C(=O)N2)C)=O
+c1ccccc1C2N(Cc3ccccc3)C(=O)COC2C
+c1ccccc1C2N3C(=O)N(C(=O)C3(C)Cc4c2[nH]c5ccc(OC)cc45)CCCN
+c1ccccc1C2OC(CCC(C(CC(C(=O)N(C)C2C)CC(=O)NCc3ccc(cc3)Cl)O)O)=O
+c1ccccc1C2Oc3c(CC2)c(cc4nc(C)n(CCOC)c34)C(N(C)CCO)=O
+c1ccccc1C2Sc3nnc(C)n3N=C2c4ccc5OCC(Nc5c4)=O
+c1ccccc1C2c3c(C(O)C2CC)c(Cl)c(c(OCC(=O)O)c3)Cl
+c1ccccc1C2c3nc(Nc4ccc(c(c4)OC)-n5cc(nc5)Cl)nc(NC)c3C(C2)=O
+c1ccccc1C=2CCN(CC=2)CCC#Cc3ncc(NCCC)cc3
+c1ccccc1C=2CCN(CC=2)CCCCc3c[nH]c4ccc(cc34)C(=O)OCC
+c1ccccc1C=2CCN(CCCCN(C(OCC)=O)c3c(C(=O)N)ccc(c3)[N+]([O-])=O)CC=2
+c1ccccc1C=2NC(=O)NC(c3cc([N+]([O-])=O)c(c(OCC)c3)O)C=2c4ccc(Cl)c(Cl)c4
+c1ccccc1C=2c3c(-n4c(nnc4CN=2)CCN)ccc(F)c3
+c1ccccc1C=2c3c(cccc3)C(=O)OC=2C(C)n4ncc5c(N)ncnc45
+c1ccccc1C=2c3c4c(c(OCC)cc3CC(CNC(=O)CN(C)C)(C)N=2)OC(C)(C)C4
+c1ccccc1C=CCN2CCC(CC2)NC3=CC(Oc4ccc(cc34)CCC(C)C)=O
+c1ccccc1C=Cc2cc(-c3cc4c([nH]3)nc(NC(CO)CO)nc4O)ccn2
+c1ccccc1C=Cc2cc(OC)nc(OC)n2
+c1ccccc1C=Cc2cc(ccn2)-c3[nH]c(C(C)C)c(C(N)=O)c3
+c1ccccc1C=Cc2nc(nc(N3CCC(C3)N)c2)N
+c1ccccc1C=Nc2ccc(OC(C)=O)c(c2)C(=O)OCC
+c1ccccc1CC(=O)N2CCN(CC2)c3ccc(c(Nc4ccc(cc4)C(N5CCOCC5)=O)n3)C(=O)N
+c1ccccc1CC(=O)N2N=C(c3ccc(c(OC)c3)OC)CC2
+c1ccccc1CC(=O)c2c(-c3cc4ccc(c(c4cc3)Br)OCc5[nH]nnn5)sc6ccccc26
+c1ccccc1CC(C(C(F)(F)C(=O)OCC)O)NC(=O)OCc2ccccc2
+c1ccccc1CC(C(NC(CCCc2cnc[nH]2)C(OC)=O)=O)NC(CCc3ccccc3)=O
+c1ccccc1CC(C(O)=O)CS(=O)(=O)C(C)(C)C(=O)N
+c1ccccc1CC(C(O)C(O)=O)NC(=O)c2cc(cc(c2C)OC(C)=O)C
+c1ccccc1CC(C)(C)C(Cl)=O
+c1ccccc1CC(NC2=CC(N(CCC(CN=[N+]=[N-])F)C=C2)=O)=O
+c1ccccc1CC(NC2=NC=C(N(C2=O)CC(OCC)=O)Cl)CN
+c1ccccc1CC(Nc2nnc(CCCCc3nnc(N)s3)cc2)=O
+c1ccccc1CC2(CCCC2)C(NC(C(OC)=O)Cc3ccc(cc3)N)=O
+c1ccccc1CC2(CCN(CC2)C(CCc3c4cc(ccc4n(c3-c5ccc(cc5)Cl)C)Cl)=O)F
+c1ccccc1CC2C(CNC2)CN(C(C)C)C(=O)C3CC(Nc4ccccc34)=O
+c1ccccc1CCC(NC2CSC(CN(CC(O)=O)C2=O)c3ccco3)C(O)=O
+c1ccccc1CCC2=C(Br)C(=O)N(Cc3cc(ccc3)F)C=C2
+c1ccccc1CCCC(C(O)C)(c2nc(C)c3C(N=C(Cc4cc(c(cc4)OC)OC)Nn23)=O)C
+c1ccccc1CCCC(C(O)C)c2n3N=C(NC(=O)c3c(CC)n2)Cc4cc(OC)c(cc4)OC
+c1ccccc1CCCC(CCCc2ccccc2)NC(=O)C3N(C(=O)C4CCCNC4)CCCC3
+c1ccccc1CCCC2CCCCCCCCCCC2
+c1ccccc1CCCCCCC(C(=N)OC)O
+c1ccccc1CCCN(Cc2cccc(c2)-c3cnc(C(=O)OCC)cc3)C
+c1ccccc1CCCNC(=O)Oc2cccc(c2)-c3ccc(cc3F)C(C(=O)OC)C
+c1ccccc1CCCNc2ccc3ncc(-c4ccc(cc4)CN)n3n2
+c1ccccc1CCCNc2scc(CON=C(c3cc(SC)ccc3)c4n(nnn4)C)n2
+c1ccccc1CCCOC(NC2C(=O)OC2C)=O
+c1ccccc1CCCOCCn2c3c(C)c(nc(N)c3nc2C)C
+c1ccccc1CCN(CCc2ccc(cc2)Oc3ncc(C(=O)N)cc3)Cc4ccccc4
+c1ccccc1CCN2C(Nc3ccnc(c3C2=O)Cl)c4c(cccc4)OC
+c1ccccc1CCNC(CN2c3ccccc3SC(c4ccccc4)C(C2=O)NC(c5[nH]c6c(cccc6)c5)=O)=O
+c1ccccc1CCNC(CSc2nc(nc(C)c2)N)=O
+c1ccccc1CCNCc2ccc(cc2)Oc3ccc(C(=O)N4CCCCC4)cn3
+c1ccccc1CCNc2c3c(ncn2)sc(C(N(C)C)=O)c3
+c1ccccc1CCNc2ncccc2C(c3c[nH]c4cc(Cl)ccc34)=O
+c1ccccc1CCOCCCI
+c1ccccc1CCOCCCN2CCC(CC2)(O)CNCC(O)c3ccc(O)c4nc(O)ccc34
+c1ccccc1CCOCCN2CCC(CC2)(C#N)C
+c1ccccc1CCS(=O)(=O)Nc2ncnc(OCCOc3ncccn3)c2-c4ccc(cc4)C
+c1ccccc1CCSc2ccc(cc2)CC3SC(=O)NC3=O
+c1ccccc1CCc2cc(Cl)nc3ccc(cc23)C(c4ccc(cc4)Cl)=O
+c1ccccc1CCc2nc(N)cc(c2)C
+c1ccccc1CN(C(C)COc2cc(c(cc2)O)C(=O)N)CC(O)COc3ccc(c(c3)O)C(=O)OC
+c1ccccc1CN(C)C(C)(C)CCO
+c1ccccc1CN(CCN(C)C)C(c2cnc(c3c(OC)cc(OC)cc23)CN)=O
+c1ccccc1CN(Cc2ccccc2)C(C(=O)NCc3ccc(cc3)F)COC(F)F
+c1ccccc1CN(Cc2ccccc2)CC(c3c(ccc(NS(=O)(=O)C)c3)F)=O
+c1ccccc1CN(Cc2ccccc2)CCCCN3CCC(CC3)N4c5ccccc5NC4=O
+c1ccccc1CN(Cc2ccccc2)c3c(F)c(c(cc3)F)C(=O)c4c[nH]c5ncc(-c6cnccc6)cc45
+c1ccccc1CN(Cc2ccccc2)c3c(c(ncn3)Nc4cc(N(C)C(=O)OC(C)(C)C)ccc4C)N
+c1ccccc1CN(Cc2ccccc2)c3nc(c(C)c4c3nc(COCC)n4CC5(CCCCC5)O)C
+c1ccccc1CN2C(=NC3=C(C2=O)CCCN3)C(N(C(=O)c4ccc(cc4)Br)CCN(C)C)CC
+c1ccccc1CN2C(=O)C=3CCCC=3N=C2C(N(CCN(C)C)C(=O)c4ccc(cc4)Br)CC
+c1ccccc1CN2C(=O)C=C(C(c3ccccc3)=N2)C(n4nc(c5c(N)ncnc45)-c6cc(F)cc(O)c6)C
+c1ccccc1CN2C(=O)N(CC2)c3sc(C(N)=O)c(C)n3
+c1ccccc1CN2C(=O)c3ccccc3-c4cc(ccc24)CC5C(NC(=O)S5)=O
+c1ccccc1CN2C(C)=CC(C3=C2N(C)C(=O)N(CCCCC(N)C)C3=O)=O
+c1ccccc1CN2C(N(CC2)c3sc(c(n3)C)C(=O)NCc4ccc(C)o4)=O
+c1ccccc1CN2C(c3cc(nn3CC2)-c4ccc(cc4)F)=O
+c1ccccc1CN2CC(NCc3c(F)cc(cc3)F)CC2C(=O)N4CCC(CC4)c5ccccc5
+c1ccccc1CN2CC3c4c(ccc(c4)OC)CC3C2
+c1ccccc1CN2CCC(CC2)(N(C(=O)CC)c3ccccc3)COC
+c1ccccc1CN2CCC(CC2)N(CCCCOCCBr)C(C)C
+c1ccccc1CN2CCC(CC2)Oc3sc4cc(ccc4n3)Br
+c1ccccc1CN2CCN(C(=O)c3cccc(-c4occc4)c3)CC2C(=O)Nc5ccc(cc5)Cl
+c1ccccc1CN2Cc3c(OCC2)nc(N(CC4CC4)C)cn3
+c1ccccc1CN2N=C(C(C(Nc3ncnc(N)c3C#N)C)=CC2=O)c4ccccc4
+c1ccccc1CN2c3c(-c4cccnc4)nc(C(NCC(O)=O)=O)c(O)c3C=C(Cc5ccccc5)C2=O
+c1ccccc1CN2c3ccc(cc3C(=C(C2=O)C#N)N4CCN(CC4)C(=O)c5occc5)Cl
+c1ccccc1CN2c3ccccc3C(c4ccccc4)(O)C2=O
+c1ccccc1CNC(=O)C2=C3C(=CN(CCCC)C2=O)CCCC3
+c1ccccc1CNC(=O)c2c(C)cc(s2)C#N
+c1ccccc1CNC(=O)c2c(C)nc(N3C=C(C=CC3=O)OCc4ccccc4)s2
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+c1ccccc1CNC(=O)c2sc(-n3cnc4ccccc34)cc2OCc5ccccc5C
+c1ccccc1CNC(=O)c2sc(N3C(C=C(C=C3)C(=O)Nc4ccccc4)=O)nc2C
+c1ccccc1CNC(c2cc3c(N(C(C(C(OCC)=O)=C3O)=O)O)nc2)=O
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+c1ccccc1CNC(c2oc(Br)cc2C)=O
+c1ccccc1CNC2(CC2)c3ccc(cc3)C#Cc4ccc(cc4)C(=O)O
+c1ccccc1CNC2=C(C(=O)N(C=C2)Cc3cccc(c3)F)Br
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+c1ccccc1CNC2CCC(CC2)Nc3cc(ccn3)-c4nc(cnc4)NCc5cc(F)ccc5
+c1ccccc1CNCCCCCCOCCOc2cnccc2
+c1ccccc1CNCCc2c3c(ccc(F)c3OCC)n(c2)C
+c1ccccc1CNCc2cc(ccc2Oc3cccc(c3)CC(OC)=O)Br
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+c1ccccc1CNc2nc(c(O)c(C)c2C)C
+c1ccccc1CNc2nccc(-c3c(-c4cccc(C)c4)nc(NC(c5cnccc5)=O)s3)c2
+c1ccccc1COC(=O)N(CCCO)C
+c1ccccc1COC(=O)N(CCOC)C2CCC(CC2)C(NCc3nccnc3Cl)=O
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+c1ccccc1COC(=O)NC(NC(=O)OCc2ccccc2)=Nc3cc(c4c(c3C)nc[nH]4)C
+c1ccccc1COC(=O)NC2C(N(C(=C(C)C)C(OC)=O)C2=O)CCO
+c1ccccc1COC(=O)NCCCCN(CC)S(=O)(=O)C
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+c1ccccc1COC(=O)Nc2cc(I)cnc2OC
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+c1ccccc1COC(=O)Nc2ccc(cc2O)NC(=O)C
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+c1ccccc1COC(=O)c2n(ccc2)-c3cc(ccc3)C(O)=O
+c1ccccc1COC(=O)n2c3cc(c(Cl)cc3nc2-c4cc(c(OC)cc4)NS(=O)(=O)c5cccs5)Cl
+c1ccccc1COC(C(CC(C)C)C(O)=O)C(OC)=O
+c1ccccc1COC(C)c2cc(c(nc2)SC)Cl
+c1ccccc1COC(CCO)CCCCCCCCCCC
+c1ccccc1COC(N(CCc2cccc(F)c2)CCC(=O)O)=O
+c1ccccc1COC(N2CCC34CCCCC3C2Cc5cc(c(cc45)O)OC)=O
+c1ccccc1COC(N2CCN(Cc3cccc(-c4cc(ccc4F)CN)c3)CC2C)=O
+c1ccccc1COC(N2c3c(cc(cc3)N4CC(CNC(=O)C)OC4=O)CCCC2)=O
+c1ccccc1COC(NC2C(=O)N3N(CCCC3c4nc(-c5ccc(cc5)Br)c[nH]4)C(=O)CC2)=O
+c1ccccc1COC(NC2C(NC(c3ccc(cc3)N4C=CC=CC4=O)=O)CN(C)CC2)=O
+c1ccccc1COC(NC2CCC(OC)CC2CO)=O
+c1ccccc1COC(NC2CCN(CC2F)c3ccc(F)cc3N)=O
+c1ccccc1COC(NCC(C(=O)NC)C)=O
+c1ccccc1COC(NCC2Cc3c(c4c(CCC4)cc3Cl)O2)=O
+c1ccccc1COC(NCCCn2c3c4ccccc4nc(Cl)c3nc2)=O
+c1ccccc1COC(c2c(-c3ccc(cc3)Br)nnn2C)=O
+c1ccccc1COC(c2c(ccc(c2)COC(C)=O)OC)=O
+c1ccccc1COC(c2ccc(cc2)CC(C)=O)=O
+c1ccccc1COC2=C(N(C=C(NC(CC)=O)C2=O)CC(OC)OC)C(=O)NCc3cc(ccc3)Cl
+c1ccccc1COC2CCCN(S(=O)(=O)c3c(ccc(C(=O)OC)c3)Br)CC2
+c1ccccc1COCC(CO)OC
+c1ccccc1COCC(OC)COCCCCCCCCCCCCC2CCCCC2
+c1ccccc1COCC2Oc3c(OC2)ccc(CCNCC(O)c4ccc(c(c4)NC=O)O)c3
+c1ccccc1COCCCCN(C(=O)c2cc(C(O)=O)cc(C)c2)CCC
+c1ccccc1COCCCOc2c(ccc3c2B(OC3C[N+]([O-])=O)O)F
+c1ccccc1COCCOc2c(CN(C(C)=O)c3cc(F)ccc3Oc4ccccc4)cc(cc2)OC
+c1ccccc1COCc2nc(N)nc(c2-c3cc(c(N)cc3)CC)N
+c1ccccc1CON2c3c(C(=C(I)C2=O)OCc4ccccc4)cncn3
+c1ccccc1CON2c3cc(ccc3N=C(Cl)C2=O)-n4cncc4
+c1ccccc1COc2c(C(=O)N(CCO)C)nc(nc2O)CC3(CCCC3)c4ncccc4
+c1ccccc1COc2c(C)c(OC)c(cc2)C=O
+c1ccccc1COc2c(C=O)cc(cc2-c3c(ccc(F)c3)OC)C(OC)=O
+c1ccccc1COc2c(CC(OC)=O)cc(cc2Br)Br
+c1ccccc1COc2c(Cl)cc(cc2)-c3cc(F)ccc3NC(=O)OC4CCNCC4
+c1ccccc1COc2c(F)ccc3c2ccn3-c4ccc(c(F)c4)OCc5ccccc5
+c1ccccc1COc2c(OC)c(cc(c2)F)CC#N
+c1ccccc1COc2c(cc(cc2)-n3c4c(cc3)c(cc(F)c4)Br)F
+c1ccccc1COc2c(cc(cc2)CCN)NC=O
+c1ccccc1COc2c(cc(cc2)Nc3nc(Cl)nc(n3)NC4CCCCCC4)Cl
+c1ccccc1COc2c(cc(cc2)Oc3ccccc3)C=O
+c1ccccc1COc2c(ccc(c2)CC#N)Cl
+c1ccccc1COc2c(cccc2CC(CSCCC(N)=O)O)C3CCCC3
+c1ccccc1COc2c(cnc(C)c2OC)C(NCc3ccc(cc3)F)=O
+c1ccccc1COc2c3c(cccn3)c4C(CCl)CN(C(=O)c5[nH]c6c(c5)cc(OCCN(C)C)cc6)c4c2
+c1ccccc1COc2c3c(nc(N)n2)n(CC4C(CC=CC4)COC(=O)C)cn3
+c1ccccc1COc2c3oc(nc3cc(-c4ncc(cc4)C=C5SC(=O)NC5=O)c2)C
+c1ccccc1COc2cc(-c3c4c(N)ncnc4n(C5CC(C5)CNC(NCC)=O)c3)ccc2
+c1ccccc1COc2cc(C(=O)NCC)ccc2N
+c1ccccc1COc2cc(C(=O)c3ncc(C)s3)c(OC)cc2
+c1ccccc1COc2cc(C=O)cnc2
+c1ccccc1COc2cc(CC#N)cc(c2OC)F
+c1ccccc1COc2cc(I)ccc2C=Nc3ccc(cc3)O
+c1ccccc1COc2cc(NC(=O)CI)ccc2OCc3ccccc3
+c1ccccc1COc2cc(NN)ncc2
+c1ccccc1COc2cc(c(Br)cc2OC)NC(C)=S
+c1ccccc1COc2cc(c(N)cc2OC)C#N
+c1ccccc1COc2cc(c(cc2)N3C=C(C(C(=N3)C(C)=O)=O)OC)F
+c1ccccc1COc2cc(cc(OCC)c2Br)-c3ncc(o3)C
+c1ccccc1COc2cc(cc(c2)OCCCCCCCCCCCCCCCCCC)N
+c1ccccc1COc2cc(cc3c(cc(nc23)C(OC)=O)O)-c4ccc(cc4)OC
+c1ccccc1COc2cc(ccc2)C=CCOCC=C
+c1ccccc1COc2cc(ccc2N)CC(C(=O)CC)C
+c1ccccc1COc2cc(cnc2C(=O)NCC(OC)=O)OCc3ccccc3
+c1ccccc1COc2cc(cnc2Nc3scc(C)n3)CC=O
+c1ccccc1COc2cc3c(OC(C)(C)CC3=NO)cc2
+c1ccccc1COc2cc3c(c(nn3C4OCCCC4)C=CC(=O)OCC)cc2
+c1ccccc1COc2cc3c(ncnc3cc2OC)Cl
+c1ccccc1COc2cc3c4c(cnc3cc2)nc(CCOC)n4C
+c1ccccc1COc2cc3ccc(C=CC4CCC(CC4)CCCCC)cc3cc2
+c1ccccc1COc2cc3onc(NC(OCC)=O)c3cc2
+c1ccccc1COc2ccc(-c3c(OC)ccc(c3)C(C)C)c(CCl)c2
+c1ccccc1COc2ccc(-c3nc(ccc3)-n4c(ccc4C)C)c(C(C)C)c2
+c1ccccc1COc2ccc(C)c(c2F)C(O)=O
+c1ccccc1COc2ccc(C3=NCCN3)c(N)c2OC
+c1ccccc1COc2ccc(c(F)c2)-c3cc(N)[nH]n3
+c1ccccc1COc2ccc(cc2)-c3cc(nnc3CCCC)OCCCN4CCOCC4
+c1ccccc1COc2ccc(cc2)-n3c(C)c(C=NO)c4cc(F)ccc34
+c1ccccc1COc2ccc(cc2)C(CNC3CCc4c(C3)cc(cc4)O)O
+c1ccccc1COc2ccc(cc2)C=3CCC(C)(C)CC=3
+c1ccccc1COc2ccc(cc2)N3C(=O)CC(CC#N)C3
+c1ccccc1COc2ccc(cc2)Nc3ncnc4cnc(cc34)-c5nnc(o5)C
+c1ccccc1COc2ccc(cc2)OCCCc3ccc(cc3)OCc4c(C(=O)O)cccc4
+c1ccccc1COc2ccc(cc2C(O)(Cn3cncc3)C)Cl
+c1ccccc1COc2ccc(cc2CC=C)-c3ccccc3C
+c1ccccc1COc2ccc(cc2NS(=O)(=O)C)OCC#N
+c1ccccc1COc2ccc3c(OC(C=C3CN=[N+]=[N-])=O)c2
+c1ccccc1COc2ccc3c(c2)c(c(C(Cl)C4CCCCC4)o3)C
+c1ccccc1COc2ccc3c(n(cc3C(C(OC)=O)=O)C)c2
+c1ccccc1COc2ccc3c(nc(N)c4c3n(c(n4)COC(C)=O)CC(C)(C)O)c2
+c1ccccc1COc2cccc(C3(CCOC(C3)C)OC)c2
+c1ccccc1COc2cccc(C=O)c2C
+c1ccccc1COc2cccc(c2)-c3c(NC(=O)CNCCO)cc(cc3)Cl
+c1ccccc1COc2ccccc2-c3c(-c4c(ccc(Cl)c4)C(OCC)=O)cccc3
+c1ccccc1COc2ccncc2N(S(=O)(=O)C)C
+c1ccccc1COc2nc(cc(OC)c2CN3C(=O)c4c(Cl)c(cc(Cl)c4CC3)Br)C
+c1ccccc1COc2nn3c(c2)CN(C(=O)CBr)CC3
+c1ccccc1CS(=O)(=O)NC2=CC=C(N(CC(=O)NCC3CCc4c(C3)sc(N)n4)C2=O)C
+c1ccccc1CS(=O)(=O)NC2=CN(C(=O)N(CC(=O)O)C2=O)COC
+c1ccccc1CS(=O)c2nc(NCc3ccc(c(c3)Cl)OC)c(C(OC)=O)c(n2)N4CCn5c(C4)ncc5
+c1ccccc1CS(c2cc(nc3c(cnn23)C=C4NC(=O)NC4=O)Nc5cc(Cl)ccc5)=O
+c1ccccc1CSc2c(c(S(=O)(=O)Cl)cc(C(=S)O)c2)-c3ccccc3
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+c1ccccc1CSc2cc(C=O)c(Nc3cc(c(cc3OC)-c4cc(c(Cl)cc4)C)F)cc2
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+c1ccccc1OCCCCCC(c2oc(-c3ncccc3)cn2)=O
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+c1ccccc1OCc2cc(ccc2Br)I
+c1ccccc1OCc2nc3CNCCc3o2
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+c1ccccc1Oc2c(F)ccc(c2)CC(F)=CC3(CC3)c4ccc5c(OCO5)c4
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+c1ccccc1Oc2c3CCCC(=O)c3nc(C)c2
+c1ccccc1Oc2c3cnn(c3ncn2)C4CCN(CC4)C(OC(C)C)=O
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+c1ccccc1Oc2cc(c(cc2)-c3nn(CC4N(CCC4)C(C(=CC5CC5)C#N)=O)c6ncnc(N)c36)F
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+c1ccccc1Oc2ccc(F)cc2NCc3c(OCCOS(=O)(=O)C)ccc(c3)OC
+c1ccccc1Oc2ccc(cc2)COc3c(F)cc(cc3)CCC(O)=O
+c1ccccc1Oc2cccc(Nc3ccccc3)c2CN
+c1ccccc1Oc2cccc(Oc3ccccc3)c2C(=O)N(C)C
+c1ccccc1Oc2cccc(n2)CN
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+c1ccccc1S(=O)(=O)N2CCC(CC2)Cn3ccc4nc(-c5c[nH]nc5)ccc34
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+c1ccccc1S(=O)(=O)OCCC2(CC2(Br)Br)Br
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+c1ccccc1SCC(Nc2c3ccc(nc3ccc2Cl)N4CC(O)CC4)=O
+c1ccccc1SCCCCCn2c(nc3c(N)nc(C)c(C)c23)C
+c1ccccc1Sc2ccc(Br)cc2CC#N
+c1ccccc1Sc2ccc(cc2CC(=O)O)F
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCC3C(CCCO3)=NOCC
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3cc4c(c(n[nH]4)C(=O)OCC)cc3
+c1ccccc1[Si](c2ccccc2)(OC3CC(C3)OC(C)=O)C(C)(C)C
+c1ccccc1[Si](c2ccccc2)(OCC(C)(C)CNC(=O)Oc3ccc(cc3)[N+]([O-])=O)C(C)(C)C
+c1ccccc1[Si](c2ccccc2)(OCC3=CC=CN(c4c(cc(N)cc4)Cl)C3=O)C(C)(C)C
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+c1cccn1-c2c(cc(cc2OCC)CN3CCC(CC3)Nc4nc5cccc(S(=O)(=O)N6CCCC6)c5o4)OCC
+c1cccn1-c2nc(ccc2)C(Nc3c(C(N)=O)nn(C)c3)=O
+c1cccn2c1ncc2C(Nc3cccc4n(CC=5C(=O)N(C(=CC=5)C)C)nc(CC)c34)=O
+c1ccn(c1)-c2c(ccc(c2)Cl)CC
+c1ccn(c1)-c2cc(CC)c(nc2C)O
+c1ccn(c1)-c2cc(cc(Nc3ccc(I)cc3[N+](=O)[O-])c2)NC(C)=O
+c1ccnc(c1)-c2c(OC)ccc(-c3cc4c(cccc4)cc3)c2OC
+c1cnc(cc1C)-n2c3c(c4c2cc(cc4)OC)cccc3
+c1cnc2[nH]c(-c3c4nc(OC)c(cc4n(C)c3)OC)cc2c1CNCCc5n(cnc5)C
+c1cnc2c(cc(C=O)cc2)c1I
+c1cncc(c1-c2[nH]c3c(cc(cn3)-c4cc(-c5nccnc5)nn4CC)c2)C
+c1cnccc1-c2c(nc(N)nc2-c3cc(F)ccc3)OC
+c1cnccc1-c2c(ncc(N(C)C)n2)Br
+c1cnccc1-c2c3c(nc(Nc4ccc5NC(CCc5c4)=O)nc3NC6CC6)[nH]c2
+c1cnccc1-c2cc(CC#N)cc(c2)C=O
+c1cnccc1-c2cc(nnc2-c3cc4c(cccc4)cc3)N5CCOCC5
+c1cnccc1-c2cc3N(CCCC)C(C)(C)NC(c3s2)=O
+c1cnccc1-c2cc3[nH]c4c(c3c(c2)OC)nc(N5CCNCC5)nc4OCC
+c1cnccc1-c2cc3c([nH]c(CC)n3)nc2-c4cc(F)ccc4
+c1cnccc1-c2cc3c(nc2-c4occn4)NC(=O)N3
+c1cnccc1-c2ccnc3ccc(C=C4C(=O)NC(=O)S4)cc23
+c1cnccc1-c2n3nc(ccc3nc2NC(=O)C)-c4cc(c(nc4)Cl)NS(=O)(=O)c5cccc(c5)OC(F)F
+c1cnccc1-c2nc(OCCO)c(Oc3c(OC)cccc3)c(n2)NS(=O)(=O)CCc4ccccc4
+c1cnccc1-c2ncccc2OC3CCN(CC3)Cc4cnn(C)c4
+c1cnccc1-c2nnc(N3CCCCC3c4noc(-c5cccc(Cl)c5)c4)n2C
+c1cnccc1C(N2C(CN(CC2C)c3ccc(cc3)OCCCN4CCCCC4)C)=O
+c1cnccc1C2(N=C(c3c2cccn3)N)c4cc(ccc4)OCCC(C)C
+c1cnccc1C2NC(=O)C(NC(=O)C(NC(=O)Cc3cc(F)cc(F)c3)C)c4ccccc24
+c1cnccc1C=Cc2cncc(c2)C=Cc3cc(Nc4ncccc4N)ccc3
+c1cnccc1CCc2c[nH]c3c2cc(NC(=O)Nc4ccccc4)cc3
+c1cnccc1CCc2ccc3c(c2)ccc(n3)NCc4c(OC)cccc4
+c1cnccc1CN2CCN(CC2)c3c4c(ncc3Br)[nH]c(-c5ccc(cc5)OC)n4
+c1cnccc1CNC(N2CCCCC2COc3c(c(N)ccc3)C#N)=O
+c1cnccc1CNc2nc3c(c(N)n2)nc(OC)n3Cc4ccc(cc4)CO
+c1cnccc1Cc2nc(on2)C(CCCC3CCCCC3)CC(NO)=O
+c1cnccc1NC(c2cc(Nc3cccc(c3)C(NCCCN4CCN(CC4)C)=O)ccc2)=O
+c1cnccc1OCCSc2nc3nc(cc(n3n2)C)C
+c1cnccc1Sc2cnc(NC(=O)c3ccc(cc3)F)s2
+c1cnn(c1C(=O)c2c(Cl)c(Cl)c(c(CC=C)c2)OCC(=O)O)C
+c1csc(c1Cl)C(NC(Cc2ccc(CCCc3ccc4c(n3)NCCC4)cn2)C(=O)O)=O
+c1n(CCCn2ccc3ccccc23)ncc1N
+c1n(c2c(cc(cn2)-c3ccoc3)n1)-c4cccc(-c5c(scc5)C#N)c4
+c1n(c2c(ccc(c2)Br)n1)-c3ccc(c(F)c3)C(=O)OCC
+c1n2CCN(Cc2nc1NC(CC)=O)c3cc(-c4c(C)cc(cn4)C)c(Cl)cn3
+c1nc(C)c(cc1-c2cc3c(cc2)ncc4N(C)C(=O)N(c34)c5cn(C)nc5C)N(CC)C
+c1nc(c2n1-c3c(c(C(C)C(CO)O)ccc3)OC2)C(=O)OCC
+c1nc(ccc1)C(=O)c2ccc(c(N)c2)N
+c1nc(ccc1C(Nc2ccccc2N)=O)NCCNC(=O)c3c(c([nH]c3C)C=C4c5c(cccc5NC4=O)C)C
+c1nc(n2c1cncc2)CCSC(=O)C
+c1nc(ncc1)-c2c(Nc3c4c(c(cc3)Cl)n[nH]c4CCCN)c5c(o2)cncc5
+c1nc(ncc1)-c2cccc(c2)CCN3C(=O)c4c(cccc4C3)Br
+c1nc(ncc1)-n2c3c(C(=O)CC(C)(C)C3)c(c2)CC
+c1nc(ncc1)C(F)(F)CN
+c1nc(ncc1)N(C)c2ccc(cc2)C=CCC(C(=O)O)NC(c3c(Cl)cccc3Cl)=O
+c1nc(ncc1)NC2c3c(N(C(=O)C)C(C4CC4)C2C)ccc(N5CCNCC5)c3
+c1nc(ncc1)Nc2scc(-c3c[nH]nc3-c4cc(F)ccc4OC)n2
+c1nc(ncc1-c2c(F)c(c(CCCCCCCC)cc2)F)-c3ccc(OCCCCCC)nc3
+c1nc(ncc1-c2c(cccc2)F)-n3c4cc(ccc4c(S(C)=O)c3)C(=O)N5C(C)COCC5
+c1nc(ncc1-c2cc(c(CN3CCN(CC3)C)cc2)F)N4CCOC(Cn5c6nc(-c7cn(C)nc7)cnc6nn5)C4
+c1nc(ncc1C#Cc2cccc(NC(=O)Nc3cc(cc(F)c3)N4CCN(CC4)C)c2)N
+c1nc(ncc1C(=O)NCc2cc(C)cc(c2)C(O)=O)N3CC(Oc4ccccc4OCC)CCC3
+c1nc(ncc1C(=O)NOC2CCCCO2)N3CCc4c5ccccc5n(C(=O)C)c4C3
+c1nc(ncc1C(NCC)=O)N2CC(Oc3ccccc3OCC)CCC2
+c1nc(ncc1CC)N2CCC(CC2)CCCOc3cc4CCN(S(=O)(=O)C)Cc4cc3
+c1nc(ncc1COc2ccc3c(ccc(O)n3)c2)Nc4ccc(cc4)Cl
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCNc4ccc(cn4)-n5nnnc5)C3
+c1nc(ncc1Cl)N2CCC(CC2)C3C(CCOc4ccc(CC(N5CCC5)=O)c(C#N)c4)C3
+c1nc(ncc1F)NCC2CCN(CC2)C(C3C(c4ccccc4)C3)=O
+c1nc(ncc1NC(c2c(cccc2Cl)Cl)=O)Nc3cnccc3
+c1nc(ncc1OCCC=CCCCC)-c2ccc(cc2)CCCCCOCCC
+c1nc2c(cc(c(C)c2)O)s1
+c1nc2ccc(SCCCSc3ccnc(CSc4nccc(n4)C)c3C)nn2c1[N+]([O-])=O
+c1ncc(-c2cc(Cl)c(C3=Cc4c(N(C3=O)CC)nc(nc4)NCCCO)cc2)nc1C
+c1ncc(-c2cc(Cl)c(C3=Cc4c(N(CC(CN)O)C3=O)nc(nc4)NCC)cc2)nc1C
+c1ncn(c1)CCC(=O)c2c(C)n(c3ccccc23)C
+c1ncncc1-c2c(-c3ccc(cc3)NCCN4CCN(CC4)C)[nH]c5ncc(Cl)cc25
+c1nn(C)c2CCCC(c3n4ccnc(Cl)c4c(Br)n3)c12
+c1nnnn1CCCC(=O)O
+c1sc2c(nc(nc2)NC3CCCCC3N)c1C(=O)Nc4ccc5c(ccnc5)n4
+n1(-c2cc3CC(Cc3cc2)C(=O)O)c(C)nc4cnccc14
+n1(-c2ncccc2Cl)ncc3c(ncnc13)OC(CCOC)C(=O)Nc4ccc(cn4)C
+n1(C(c2cc(c(N)c3OCOc23)Cl)=O)ccnc1
+n1(CCN)c(Cl)c(c(C(=O)OC)c1)-c2cc(ccc2)C#N
+n1(Cc2c(F)cccc2)c3c(nc1)cnc(n3)NC
+n1(c(c(nc1Sc2c(Cl)cc(cc2)Nc3c(cnc4cc(OCCCCl)c(OC)cc34)C#N)C)C)CC
+n1(c2c(cc(cc2nc1C)C(=O)OC)O)CCOC
+n1(c2c[n+](ccc2c(n1)C(=O)N)[O-])CC(=O)N3C4CC4CC3C(NCc5cccc(Cl)c5F)=O
+n1(ccnc1)-c2cc(N)c(N)c(C)c2
+n1(ccnc1)-c2cccc(-n3c4ccc(cc4nc3)C=NOC)c2
+n1(nc(cc1[N+]([O-])=O)C(=O)O)C2CCCCO2
+n1(ncc(C=2c3cc(OC)c(OC)cc3C(=O)N(CC)C=2)c1)Cc4c(cccc4)F
+n12c(nnc1)c3cc(C)ccc3nc2CCl
+n12nnnc1c(N)c(NCCCO)c(c2C)C
+n1[nH]c(nn1)C2Cc3c4ccccc4[nH]c3CN2C(=S)SC
+n1[nH]c2ccc(C(=O)O)cc2c1CCC
+n1c(-c2cccnc2N)c[nH]n1
+n1c(-c2cnccc2)n(c3cc(c(Br)cc13)C#N)C
+n1c(C#Cc2cscn2)c3ccccc3cc1NC(C(C)N)=O
+n1c(C(=O)OC)c(c(N)c(Cl)c1Cl)Br
+n1c(C)cccc1-c2cc(OCC)cc(C)n2
+n1c(C=Cc2cccnc2)cc(-c3cc4c(ncnc4[nH]3)O)cc1
+n1c(Cc2cc(Cl)ccc2-n3ncnc3)oc4c1c(NCCC5NCCCC5)ncc4
+n1c(Cl)c2c(nc1Nc3cc(ccc3N)F)N(C4CCOc5c(F)cccc45)C(=O)N2
+n1c(N)nc2[nH]c3c(cccc3)c2c1Nc4cccc(c4)Br
+n1c(NC(=O)c2ccc(-c3c4c(N)nccn4c(C5N(C(C=C)=O)CCC5)n3)cc2F)cccc1
+n1c(NC)nc(Oc2cc(N)c(cc2)O)cc1
+n1c(Nc2c(Cl)cccn2)sc(c1)-c3cncc(C(NCCN)=O)c3
+n1c(OC)ccc(C(CO)Nc2ncnc3CCN(Cc23)c4ccc(cn4)C)c1
+n1c(SC)nccc1-c2c(nc3n[nH]cc3c2)-c4occc4
+n1c(c(-c2nc(NC)ncn2)ccc1)Oc3ccc(c(c3)C(=O)O)F
+n1c(c2c(cccc2)c(n1)O)Cc3cc(c(cc3)F)-c4cc(N)ccc4
+n1c(c2cc(C)ccc2nc1C(=O)OCC)O
+n1c(c2ccncc2nc1Oc3cc4c(cc3)n(cc4)C)O
+n1c(cc(CCCc2cc3c(cccc3)cc2)o1)C(=O)NCC4OCOC4
+n1c(ccc(C=CC(NCCCCc2ccc(C(NC)=O)c(NCC)n2)=O)c1)N
+n1c(ccc(CN2CCC(O)C2)c1)N
+n1c(ccc(F)c1-c2c(c(ccc2)F)F)C(=O)O
+n1c(cn(CCCCCCCC(=O)O)c1)-c2ccccc2O
+n1c(cnc(Cn2ccnc2-c3cccc(F)n3)c1Cl)OC
+n1c(cnn1Cc2nc(co2)COC)NC(=O)c3c(-c4cc(C)ccc4)oc(n3)C
+n1c(csc1-c2cccc(Cl)c2F)C(=O)O
+n1c(nc(N)c(c1Cl)Br)SC(c2ncc3c(c2)cccc3)C
+n1c(nc(cc1)Oc2ccc(N)cc2F)NCCCO
+n1c(ncc(CC2=CC(=O)N(CCCC)C=C2)c1O)NCCSCc3nc[nH]c3C
+n1c(ncc(c1O)Cc2cc(ccc2)OC)NCCSCc3nccs3
+n1c(oc(C)c1COc2cc(c(CC(OCC)C(=O)O)cc2)CC)-c3c(cccc3)F
+n1c(oc2ccc3c(c12)CCNCC3)C
+n1c(sc(c1)C=2CSC3C(C(=O)N3C=2C(=O)O)NC(Cc4cccs4)=O)NC(C)=O
+n1c(sc2ccccc12)N3N=C(c4cc(I)ccc4)C(=CN)C3=O
+n1c(sc2ccccc12)N3N=C(c4ccc(C)c(Br)c4)C(=CN)C3=O
+n1c2CCc3c(cc(Cl)c(c3)Br)-n2c(C)n1
+n1c2c(cc([N+]([O-])=O)c(O)c2)ccc1
+n1c2c(cccc2)c([nH]1)C=Cc3c(cccc3)Nc4scc(n4)C(=O)O
+n1c2c(cccc2)c([nH]1)C=Cc3ccccc3NC(NCC)=O
+n1c2c(cccc2)c(cc1-c3ccccc3O)NCCN
+n1c2c(n(c1-c3cc(Br)cnc3N)-c4cccc(c4F)F)ccnc2
+n1c2c(ncc1)cc(C)c(Br)c2
+n1c2c3ccccc3oc2c(nc1)O
+n1c2cc(ccc2n3cnnc3c1OC)OC
+n1c2ccc(OCC)nc2n(C)c1CO
+n1c2ccccc2c(cc1-c3ccccc3O)NC4CNCC4
+n1cc(-c2cc3OCCc4c(-c3cc2)sc(c4)C(N(c5c(Cl)cccc5)C)=O)c[nH]1
+n1cc(-c2cc3c(n[nH]c3cc2)C(Nc4cccnc4)=O)cc(F)c1
+n1cc(Br)nc(-c2[nH]c3c(cccc3)n2)c1N
+n1cc(Cl)nc(NC(C)c2cc(ccc2)NC(c3cnc(C)cc3)=O)c1
+n1cc(I)c(c2c3ccccc3cc(OCCC)c12)O
+n1cc(N)c(cc1)CCOc2ccc(c3ccccc23)N
+n1cc(N)cn1CCNc2ccc(cn2)F
+n1cc(c(CCC(OC)=O)cc1OC)F
+n1cc(c2CCCC(O)c2c1)-c3cc4CCC(N(c4cc3)C)=O
+n1cc(cc(OC)c1)-c2nn3c(s2)ncc3I
+n1cc(ccc1F)-c2c(cnc(NC(NCC)=O)c2)Br
+n1cc(cnc1)-c2cc(C3(c4c(C(N)=N3)nccc4)c5cc(OCCCF)ncc5)ccc2
+n1cc(cnc1)-n2ncc(C(O)=O)c2CC
+n1cc(cnc1)C(c2cc3cccnc3c(Cl)c2)O
+n1cc(cnc1)N(c2cc(NC(c3cc(Cl)ccc3)=O)cc(Cl)c2)C
+n1cc(cnc1-c2c(F)c(F)c(cc2)OCCCCCCCC)-c3cnc(cc3)OCCCCCCCC
+n1cc(cnc1-c2cc(C#N)c(cc2)CC(C)C)Br
+n1cc(cnc1-c2cccc(c2)CC3=NN(C=CC3=O)c4cn(C)nc4)OCCOC
+n1cc(cnc1-n2c3c(cc(cc3cc2)N)C4CC4)C
+n1cc(cnc1C(=O)N2CCN(CC2)CC3CC3)B(O)O
+n1cc(cnc1C(C)Nc2nc(Nc3cc(n[nH]3)C)c(c(N4CCOCC4)n2)F)F
+n1cc(cnc1C(NC2CN(c3nccn4cccc34)CC2)=O)-c5ccc(cc5)F
+n1cc(cnc1C)C(CCCC(CCc2ccc3CCCNc3n2)=O)CC(OCC)=O
+n1cc(cnc1CCCCCCCC)-c2ccc(cc2)-c3cc4CC(Cc4cc3)CCCCCCCC
+n1cc(cnc1COC)-c2ccc(cc2)S(=O)(=O)Nc3cc(F)c(cc3F)C(O)=O
+n1cc(cnc1N)-c2ccc(cc2F)-c3ccccc3Oc4ncc(N)cc4
+n1cc(cnc1N)-c2nc3c(sc(c3C)CN4CCN(CC4)C(CN)=O)c(n2)N5CCOCC5
+n1cc(cnc1N2CC(NCc3c(Cl)cc(cc3)Cl)CC2)C#C
+n1cc(cnc1N2CCC(CC2)C3(Cc4cc(C5=CCN(S(=O)(=O)CCCC(=O)OC)CC5)ccc4O3)C)C6CC6
+n1cc(cnc1N2CCC(CC2)C3Cc4cc(C=5CCN(S(=O)(=O)CCC)CC=5)cc(F)c4O3)CCC
+n1cc(cnc1N2CCC(CC2)Oc3cc(ccc3Cl)Cl)-c4nnn(CC(O)=O)n4
+n1cc(cnc1OCCF)C#Cc2ccc(cc2)C(C)C(=O)NCC
+n1cc(cnc1OCCOc2nc(nc(NS(=O)(=O)CC)c2Oc3ccccc3OC)-c4ncccn4)Br
+n1cc(cnc1OCCOc2ncnc(N)c2-c3ccc(cc3)C)Br
+n1cc(cnc1Oc2ccc(c3c2C4(CC4)CO3)C)N5C(C(NC5=O)CC)=O
+n1ccc(-c2ccc(cc2OC)F)cc1NC(=O)C3CC(N)CC3
+n1ccc(C(=O)C)c2cc(C#N)ccc12
+n1ccc(NC(C)c2ncc(cc2)F)nc1Nc3cccnc3O
+n1ccc(OC)nc1Nc2cc(C)cc(-c3sc(nc3Cl)N4CCCNC(=O)C4)c2
+n1ccc(c(OC)c1CO)OC
+n1cccc(C#N)c1-c2c(F)ccc([N+]([O-])=O)c2
+n1cccc(C)c1CN(Cc2ncccc2C)Cc3ccc(cc3C(OC)=O)C#N
+n1cccnc1-c2c(C(N3CC(CCC3C)Oc4cc(OCC)ccn4)=O)ccs2
+n1cccnc1-c2cc(ccc2)Nc3nc(cnc3C(N)=O)NC4CCCCC4N
+n1cccnc1-c2ccc(cc2)C#CC=O
+n1cccnc1C(O)(C#Cc2ccc3c(C(N(C)C)=O)nn(-c4ccnc(N)n4)c3c2)C
+n1cccnc1C(O)CN(Cc2cc3C(=O)C(C(NCc4ccc(cc4)Cl)=O)=CN(c3s2)C)C
+n1cccnc1CNC(=O)c2cnc(nc2NCc3ccc(c(c3)Cl)OC)N4CCC5(C4)CN(CCC5)C
+n1cccnc1N2CCC(CC2)NC(=O)c3cnc(cc3)-c4ccccc4O
+n1ccn(-c2ccc(cc2N)C3=C(C(NC3)=O)C)c1C
+n1ccnn1-c2c(C(N3CC(CCC3C)C(CBr)=O)=O)cccc2
+n1ccnn1-c2c(cccc2F)C(N3CC4CCNCC34)=O
+n1ccnn1-c2ccc(cc2)C=3C(F)=CN(CCC(S(=O)(=O)C)(C)C(=O)O)C(=O)C=3
+n1ccnn1-c2ccccc2C(=O)N3C(CCC(C3)C(N)=S)C
+n1cnc2[nH]cc(C#N)c2c1-c3ccc(C)cc3C
+n1cnsc1-c2nnc3CN(C(=O)c4c(c(Cl)c(F)cc4)C)CCn23
+n1n(C)c(CC)cc1C(=O)C
+n1n(CC=C)c2ccc(C#N)cc2n1
+n1n(c(c(C#Cc2cnn3c2c(OC)cc(-c4cnn(C)c4)c3)c1)C)-c5ncccc5
+n1n(cnn1)-c2cccc(C=3CC(Nc4c(ccc(c4)-c5ccccc5F)N=3)=O)c2
+n1n2c(N)nnc2c(c(CC)c1OCC)C
+n1nc(-c2cnc(cc2)NC(=O)Cc3cc(F)c(-c4cc(F)ncc4)nc3)ccc1
+n1nc[nH]c1-c2c(Br)cc(I)s2
+n1ncc(-c2cc(c(cc2O)Cl)-c3ccccc3F)cc1
+n1ncn(c1)-c2ccccc2CNC(=O)C3N(C(C4(c5ccccc5-c6c4cccc6)O)=O)CCC3
+n1nn[nH]c1CCCOc2ccccc2N(C(c3cc(c(cc3)Cl)Br)=O)C
+n1sc2c(c1-c3cc(CO)ccc3)ncnc2O
+o1c(-c2cc(ccc2)C#N)cc(C3CCCCN3C(=S)NC)n1
+o1c(C(=O)O)cc(-c2ccnn2C)c1C
+o1c(nc(c1CC)C(O)=O)N2CC(C(CC2)NC(c3[nH]c(c(CC)n3)Cl)=O)OCCC
+o1c(ncc1CBr)C(OCC)=O
+o1c2c(cc(cc2)-c3noc(-c4ccc(c(OCC)c4)OCC)n3)cc1C(O)=O
+o1c2c(ccnc2Br)nc1SC
+o1nc(C)nc1C(C)NC(=O)c2cc(cc(-c3ccc(C)cn3)c2)-c4occn4
+s1c(C)ccc1C(N)=S
+s1c(Cc2cc(ccc2F)Br)ccc1-c3cc(ccc3)OCC
+s1c(N2C(O)CCN(CCC)C2=O)nnc1SC
+s1c(nc(C=C2C(N(CC(O)=O)C(=S)S2)=O)c1)Nc3c(C)cccc3
diff --git a/releases/n1-n5-composites-inchi-v1/payload/stock/preparation.json b/releases/n1-n5-composites-inchi-v1/payload/stock/preparation.json
new file mode 100644
index 0000000000000000000000000000000000000000..b36420bde114d72bff0cabe17d368922f4e5a935
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/stock/preparation.json
@@ -0,0 +1,39 @@
+{
+  "inputs": [
+    {
+      "path": "../route-inspector/data/clean/n1_routes.json",
+      "sha256": "c1e396cd71228e3ab113412428571d223ef943835c3793f91b994b3341359439"
+    },
+    {
+      "path": "../route-inspector/data/clean/n5_routes.json",
+      "sha256": "5a27be2e0199f2bacd66556122f50906a24e27946bb30b1d9472d55d725e71af"
+    }
+  ],
+  "kind": "leaf-stock",
+  "outputs": {
+    "leaves.jsonl": "6df9fff75641f3a45d717e7c570aed53c202e249e7749d53a9f012d2ba0f4873",
+    "n1.smi": "13d01086e9388eed7ad082f586f74d78e88fa57a242b68e2f4248a96798b459a",
+    "n1_targets.smi": "38b13cd678b3e6bd1c1154ba294dbda23a7c655504e7a5bc2e2155a574146596",
+    "n5.smi": "b3099bec1799a9980bb4ea8463ea8a8f2facac92ccfdc8531308c948f26eb012",
+    "n5_targets.smi": "ebe8865e8290a850e06c3d10c160f600493de8b5295d80beae8b2f8d1113d781",
+    "union.smi": "877608f2cd05e3a2a0f0c027579a2c0b259ea50c4d8d25753ff9f2f70b596ae3"
+  },
+  "routes": {
+    "n1": 10000,
+    "n5": 10000
+  },
+  "schema": "retrocomposite-preparation/1",
+  "software": {
+    "SynPlanner": "1.8.0",
+    "chython-synplan": "1.108",
+    "retrocomposite": "0.1.0",
+    "route-inspector": "3.0.0.dev0"
+  },
+  "stereo": "ignored",
+  "stock_counts": {
+    "n1": 13308,
+    "n5": 13195
+  },
+  "terminal_policy": "molecule node without children; ignore stored stock flags",
+  "union_count": 20087
+}
diff --git a/releases/n1-n5-composites-inchi-v1/payload/stock/union.smi b/releases/n1-n5-composites-inchi-v1/payload/stock/union.smi
new file mode 100644
index 0000000000000000000000000000000000000000..cd57601103f38375b239d18f8d0c5cbf8f84eb86
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/payload/stock/union.smi
@@ -0,0 +1,20087 @@
+B1(c2cc(N)ccc2CO1)O
+B1(c2ccc(cc2CO1)O)O
+Br
+BrB(Br)Br
+BrBr
+BrC(Br)(Br)Br
+BrC(Br)Br
+BrC(Br)C
+BrC(Br)c1c(Cl)cc(c(-c2c(c(n(C)n2)OC(F)F)Cl)c1)Cl
+BrC(Br)c1ccc(cc1F)C(=O)O
+BrC(c1cc(F)ncc1)C(c2cccc(C)c2)=O
+BrC1(Br)c2cccnc2NC1=O
+BrCBr
+BrCC#CC
+BrCC(=C)Br
+BrCC(=O)Br
+BrCC(=O)Cl
+BrCC(=O)N
+BrCC(=O)O
+BrCC(=O)OC
+BrCC(=O)c1c(c2c(cccc2)o1)C
+BrCC(C)=C
+BrCC(CCBr)O
+BrCC(CCCC)CC
+BrCC(c1c(C)nccc1)=O
+BrCC(c1cccnc1)=O
+BrCC(c1ccnc(Br)c1)=O
+BrCCBr
+BrCCC(C(=O)OC)Br
+BrCCCBr
+BrCCCCBr
+BrCCCCCCBr
+BrCCCF
+BrCCCNC(=O)C
+BrCCF
+BrCCOCCBr
+BrCc1c(Br)cccn1
+BrCc1c([N+]([O-])=O)cccc1
+BrCc1c(cc(cc1)C(=O)OC)CBr
+BrCc1c2c(ccc1)cccn2
+BrCc1cccc(CBr)c1
+BrCc1cccc(CBr)n1
+BrCc1ccccc1OC
+BrCc1cccnc1
+BrO
+BrP(Br)(Br)=O
+BrP(Br)Br
+BrS(Br)=O
+Br[Cu]Br
+Br[Mg]c1c(C)cc(cc1)F
+Br[Mg]c1ccc(Cl)c(F)c1
+Br[Mg]c1ccc(c(c1)OC)F
+Br[Mg]c1cccc(C)c1
+Br[Mg]c1cccc(OC)c1
+Brc1[nH]c(C)nc1
+Brc1[nH]cc(C(=O)OC)c1C
+Brc1[nH]ccn1
+Brc1[nH]cnc1
+Brc1[nH]cnc1C(=O)OC
+Brc1c(Br)cc(cc1)C
+Brc1c(Br)csc1
+Brc1c(C)nccc1
+Brc1c(F)cc(C)cn1
+Brc1c(F)ccc(O)c1
+Brc1c(F)cccn1
+Brc1c(N(C)N)nc(SC)nc1
+Brc1c(O)cccn1
+Brc1c(O)nc(C)nc1
+Brc1c(O)ncc(C)c1
+Brc1c(cc([N+]([O-])=O)c(n1)N)Br
+Brc1c(ccc2ccccc12)C
+Brc1c(cccc1)CCO
+Brc1c2c(O)nccc2sc1
+Brc1c2c(cccc2)ccc1
+Brc1cc(Br)c2c(cccc2)c1OC
+Brc1cc(C)c(cc1C)N
+Brc1cc(O)c(C(=O)OC)s1
+Brc1cc(c(C(=O)O)nc1)[N+](=O)[O-]
+Brc1cc(c(C=O)s1)Br
+Brc1cc(cc(Br)c1)CO
+Brc1cc(cc(Br)c1)Cl
+Brc1cc(cc(Br)c1)OC
+Brc1cc(cc(Br)c1C=O)F
+Brc1cc(cc(Br)c1CCC(Nc2cc(ccc2C)C(=O)OC)=O)OC
+Brc1cc(cc(Br)c1O)C=O
+Brc1cc(cc(Br)n1)C
+Brc1cc2CNCCc2s1
+Brc1cc2c([nH]cc2[N+](=O)[O-])nc1
+Brc1cc2cc[nH]c2nc1
+Brc1ccc(C(=O)N)s1
+Brc1ccc(C(=O)O)s1
+Brc1ccc(Cl)s1
+Brc1cccc(Br)c1
+Brc1cccc(Br)c1C=O
+Brc1cccc(Br)c1CC
+Brc1cccc(Br)n1
+Brc1cccc2cccnc12
+Brc1ccccc1CC(N)=S
+Brc1ccccc1CC(O)=O
+Brc1ccccc1I
+Brc1cccn2c1nc(C)c2
+Brc1cccnc1
+Brc1cccnc1F
+Brc1cccnc1O
+Brc1cccnc1[N+](=O)[O-]
+Brc1ccco1
+Brc1cccs1
+Brc1ccnc(C(=O)O)c1
+Brc1ccnc(C)c1
+Brc1ccnc(C=CC(=O)O)c1
+Brc1ccnc(F)c1
+Brc1ccnc(O)c1
+Brc1ccnc(c1)C(=O)OC
+Brc1ccsc1C(=O)O
+Brc1ccsc1C(=O)OC
+Brc1cncc(Br)c1
+Brc1cncc(Br)n1
+Brc1cncs1
+Brc1n2c(nc1)nc(cc2)CO
+Brc1nc(c(Br)n1CC(=O)OC)Br
+Brc1nc(c(n1CCCC)Cl)Cl
+Brc1nc(cc2ccccc12)Br
+Brc1nc(cs1)Br
+Brc1nc(cs1)C(=O)OC
+Brc1ncc(C)[nH]1
+Brc1ncc(c(C(=O)O)c1)F
+Brc1nccc(C)c1
+Brc1nccc(CN)c1
+Brc1nccc(CO)c1
+Brc1nccc(O)c1
+Brc1ncccc1[N+](=O)[O-]
+Brc1nccs1
+Brc1nnc(C)s1
+Brc1oc(cc1)C(=O)O
+Brc1oc(cc1)C(=O)OC
+Brc1sc(-c2nc(SC)ncc2)cc1
+Brc1sc(C(=O)OC)c(Br)n1
+Brc1sc(C)cc1
+Brc1sc(C=O)cc1
+Brc1sc(CC(OC)=O)cc1
+Brc1sc(CN)cc1
+Brc1sc(c(C)n1)C(=O)N
+Brc1sc(c(C)n1)C(=O)O
+Brc1sc(cc1)-c2ccn(C)n2
+Brc1sc2CNCCc2n1
+C#C
+C#CC
+C#CC(=O)N
+C#CC(=O)O
+C#CC(=O)OC
+C#CC(N)(CC)C
+C#CC(N)CC(OCC)=O
+C#CC(NC(=O)C)C
+C#CC(O)(CSCC)C
+C#CC(OCC)=O
+C#CC1(CCN(C1=O)C)O
+C#CC1C(CO)C1
+C#CC1CCCNC1
+C#CC1CCNC1
+C#CCBr
+C#CCC(CCOC)(O)C
+C#CCC1(N)CCN(C1=O)C
+C#CCCC=O
+C#CCCCC
+C#CCCCCl
+C#CCCCN
+C#CCCCO
+C#CCCN
+C#CCCO
+C#CCCl
+C#CCN
+C#CCNC(=O)CN
+C#CCO
+C#CCOC
+C#C[Mg]Br
+C#Cc1c(N)c(ccn1)C(=O)OC
+C#Cc1cccc(n1)N
+C#Cc1ccccn1
+C#Cc1cccnc1
+C#Cc1ccnc(Br)c1
+C#Cc1n(C)cc(N2CCCC2=O)n1
+C(#C)CCCCCCCC#C
+C(#C)c1cc(ccc1Cl)Nc2c3cc(ncc3ncn2)F
+C(#C)c1ccc(OC)cc1C
+C(#CC(O)=O)C(C)(CCOC)N
+C(#CC)C1N(C(C(=O)N)CC1)C(CCl)=O
+C(#CCCC(OC)=O)CCC(OC)=O
+C(#N)C(C#N)=C(N1CCC(CC1)CN2CCCCC2)SC
+C(#N)C(C#N)=C(OCC)C
+C(#N)CC#N
+C(#N)CC(Cc1c2ccccc2[nH]c1)N
+C(#N)c1[nH]c(CCC)nc1C(=O)CCC
+C(#N)c1c(-c2ccc(CBr)cc2C)cccc1
+C(#N)c1c(-c2ccc(CC(C(OCC)=O)C(CCC)=O)s2)cccc1
+C(#N)c1c(C=2CCCCC=2)cccc1
+C(#N)c1c2c(c(cc1)N)cccc2
+C(#N)c1c2ccccc2c(cc1)C
+C(#N)c1cc(CC(C)NCCOc2ccccc2OCC)cc3c1N(CC3)CCCO
+C(#N)c1ccc(c2c1cccc2)F
+C(#N)c1ccccc1-c2c(ccc([N+]([O-])=O)c2)F
+C(#N)c1nnc(Br)s1
+C(=C)C
+C(=C)C(C(=O)O)C
+C(=C)CC(=O)OC
+C(=C)CC(C(=O)O)C
+C(=C)CC(C(=O)OC)N
+C(=C)CC(C)NC
+C(=C)CC(N)C(=O)O
+C(=C)CC1=CC(CC1=O)O
+C(=C)CCBr
+C(=C)CCC=O
+C(=C)CCCBr
+C(=C)CCCC(C(OC)=O)C(C)=O
+C(=C)CCCCBr
+C(=C)CCCCO
+C(=C)CCCN
+C(=C)CCN
+C(=C)CCNC
+C(=C)CC[Mg]Br
+C(=C)CCc1ncsc1
+C(=C)CI
+C(=C)CN
+C(=C)CNC
+C(=C)CO
+C(=C)CON
+C(=C)CS
+C(=C)C[Mg]Br
+C(=C)Cc1cnc2c(cc[nH]2)c1Cl
+C(=CC(=O)N(OC)C)c1ccc2cc[nH]c2c1
+C(=CC(=O)O)C
+C(=CC(=O)OC)c1ccc(OC)cc1OC
+C(=CCC=CCC=CCCC(=O)O)CC=CCC=CCC=CCC
+C(=COC)C1CCCOC1
+C(=NCCCCCCCC)=O
+C(=O)(C(=O)c1c(cccc1)C)C
+C(=O)(C(C)=C)Cl
+C(=O)(C(C)=C)OC
+C(=O)(C(CCBr)Br)Cl
+C(=O)(C(Cl)C)Cl
+C(=O)(C(N)=S)C
+C(=O)(C)N1c2ccc(OC(C)=O)cc2CCCC1
+C(=O)(C)c1ccc(N)cn1
+C(=O)(C)c1ccccn1
+C(=O)(C)c1oc2c(cccc2c1)OC
+C(=O)(C)c1sc(cc1)Cl
+C(=O)(C)n1ncc2cc(I)c(C)cc12
+C(=O)(C1COCC(C1)O)O
+C(=O)(C=C)Cl
+C(=O)(C=CC)Cl
+C(=O)(CBr)C
+C(=O)(CBr)CCCCC
+C(=O)(CC(OC)=O)CCCC
+C(=O)(CC1c2ccccc2C(=O)N1)O
+C(=O)(CCC(Cl)=O)C
+C(=O)(CCCCBr)C
+C(=O)(CF)Cl
+C(=O)(COC)C
+C(=O)(COC)Cl
+C(=O)(CSc1cccs1)C
+C(=O)(Cc1cc2c(cccc2)cc1)O
+C(=O)(Cl)CCCCCCCCC
+C(=O)(Cl)c1c(Cl)ccs1
+C(=O)(N(OC)C)C
+C(=O)(N)N1CCCc2cc(Br)cnc12
+C(=O)(N1CCn2c3C(N(C(=O)N(c3nc12)C)CCCCC(O)C)=O)C
+C(=O)(NCC#C)Nc1cc(NC(C)=O)c(cc1Cl)F
+C(=O)(NCCC(OC)=O)C1CCCNC1
+C(=O)(NN)Nc1ccccc1O
+C(=O)(O)C(C)CSC(=O)C
+C(=O)(O)C1CCCC1N
+C(=O)(O)C1NCCNC1
+C(=O)(O)C=Cc1cc(ccc1)O
+C(=O)(O)C=Cc1cc2CCC(=O)Nc2nc1
+C(=O)(O)CC(=O)O
+C(=O)(O)CCC1CCc2ccccc12
+C(=O)(O)CCCCBr
+C(=O)(O)Cn1nccc1
+C(=O)(OC)C#CC
+C(=O)(OC)C(C(=O)OC)(CC1CN(C(C1)=O)C(c2ccccc2)C)C
+C(=O)(OC)C(CBr)=C
+C(=O)(OC)CCCCCCCCCBr
+C(=O)(OC)Cl
+C(=O)(OC)c1ccc(C#N)cc1C
+C(=O)(OC1OCC(C(OC(C)=O)C1OC(C)=O)OC(=O)C)C
+C(=O)(OCC)C(C(=O)OCC)CCC=C
+C(=O)(OCC)C(C(=O)OCC)c1cccc(n1)OC
+C(=O)(c1c(C)cccc1F)O
+C(=O)(c1c2CCCc2c(C(O)C)s1)OC
+C(=O)(c1c2ccc(OC)cc2[nH]n1)O
+C(=O)(c1c2n(c(Br)n1)cccc2)O
+C(=O)(c1cc(-c2cc(C)c(Cl)cc2)n[nH]1)OC
+C(=O)(c1cc(CO)cc(c1)C)c2nc(OC)nc(OC)c2CC
+C(=O)(c1cc(Nc2nc(nc3c2occ3)Cl)n[nH]1)OC
+C(=O)(c1cc(cc(C(=O)OC)n1)Br)OC
+C(=O)(c1cc(cc2c1n[nH]c2)-c3cccnc3Cl)OC
+C(=O)(c1cc2c(cn(C)c2cc1)Cc3ccc(C(=O)OC)cc3OC)OC
+C(=O)(c1ccc(c2n[nH]cc12)F)OC
+C(=O)(c1ccc2nccn2c1)O
+C(=O)(c1cccc(CC(OC)=O)c1)OC
+C(=O)(c1cccc2ccc(O)cc12)OC
+C(=O)(c1ccccc1Nc2c(Cl)c(C)ccc2Cl)O
+C(=O)(c1ccccc1Nc2cccc(C)c2C)O
+C(=O)(c1ccccc1Nc2cccc(c2)Br)O
+C(=O)(c1ccccc1OC)C=O
+C(=O)(c1ccncc1NC(c2sc(cc2)Cl)=O)OC
+C(=O)(c1cnc(C)cc1)O
+C(=O)(c1cnc(O)cc1)O
+C(=O)(c1cnc(cc1)-c2cnco2)O
+C(=O)(c1cnc(cc1)Br)O
+C(=O)(c1cnc(cc1)C#CC)O
+C(=O)(c1cnc(cc1)C(=O)OC)O
+C(=O)(c1cnc(cc1)Cl)O
+C(=O)(c1cnc(cc1)N)O
+C(=O)(c1n(nc(C)c1)C)Cl
+C(=O)(c1n[nH]c2ccc(OC)cc12)O
+C(=O)=NC
+C(=O)=NCC
+C(=O)=NCCBr
+C(=O)=NCCC
+C(=O)=NCCCC
+C(=O)=NCCCCl
+C(=O)=NCCCl
+C(=O)=Nc1ccc2ccccc2c1
+C(=O)=Nc1cccnc1
+C(=O)C
+C(=O)C(C)NC
+C(=O)C(C=O)[N+]([O-])=O
+C(=O)C(Cl)COC
+C(=O)c1c(-c2cc(C)sc2)cccc1
+C(=O)c1cc2ccccc2nc1Cl
+C(=O)c1ccccc1-c2cscc2C
+C(=S)=NC(C)c1cc(ccc1)O
+C(=S)=Nc1c(Cl)cccc1
+C(Br)(C(=O)c1ccc(OC)cc1Cl)C
+C(Br)C(=O)c1nc2c(cccc2)n1C
+C(Br)C(C(=O)N)Br
+C(Br)C(C(O)=O)=O
+C(Br)C(c1ccccn1)=O
+C(Br)C=CC
+C(Br)C=CC(=O)Cl
+C(Br)C=CC(=O)O
+C(Br)CCCCBr
+C(Br)CCCCCC
+C(Br)CCCCCC#N
+C(Br)CCCCCCC
+C(Br)CCCCCCC(=O)O
+C(Br)CCCCCCC(OC)=O
+C(Br)CCCCCCCCCCCCC
+C(Br)CCCCCCCCCCCO
+C(Br)CCCCCCCCCCCc1cccc2c1C(NC2=O)=O
+C(Br)CCCCCCl
+C(Br)CSc1cc(ccc1F)F
+C(Br)Cl
+C(Br)c1c(Cl)cccc1
+C(Br)c1c(c(ccc1)C#N)CBr
+C(Br)c1cc(C)c(cc1)C
+C(Br)c1cc(ccc1F)F
+C(Br)c1cc2nonc2cc1
+C(Br)c1cccc(C)c1F
+C(Br)c1cccc(Cl)c1Cl
+C(Br)c1cccc(Cl)c1F
+C(Br)c1cccc(F)c1F
+C(Br)c1ncccc1
+C(C#C)CC(Cl)=O
+C(C#C)CCC(=O)O
+C(C#C)CCCC
+C(C#C)CCCCO
+C(C#C)CCCCl
+C(C#C)CCCO
+C(C#C)N1CC(CC1=O)O
+C(C#N)CCBr
+C(C#N)CCCl
+C(C#N)c1c2c(ccc(OC)c2)nc(Cl)c1
+C(C#N)c1ccc([N+]([O-])=O)c(F)c1C
+C(C#N)c1cccc(C(=O)OC)c1Cl
+C(C(=C)CC(=O)OC)(=O)OC
+C(C(=O)Br)(C)Br
+C(C(=O)C)(C)Br
+C(C(=O)C)(c1cccnc1)=NO
+C(C(=O)C)CCCl
+C(C(=O)C)Cl
+C(C(=O)CC(OC)=O)Cl
+C(C(=O)CC(OCC)=O)Cl
+C(C(=O)Cl)(C)Br
+C(C(=O)Cl)CBr
+C(C(=O)Cl)CC(C)Br
+C(C(=O)Cl)CC=C
+C(C(=O)Cl)CCBr
+C(C(=O)Cl)CCCl
+C(C(=O)Cl)Cl
+C(C(=O)Cl)c1ccco1
+C(C(=O)N(OC)C)CCCC
+C(C(=O)NCCCCCCC)Br
+C(C(=O)O)(C(OC)C)Br
+C(C(=O)O)(C)Br
+C(C(=O)O)(c1cccc2OCOc12)CCCCC
+C(C(=O)O)C(C(O)=O)=C
+C(C(=O)O)CC1CCOC1
+C(C(=O)O)CC1NC(c2[nH]c3c(cc(OC)cc3)c2C1)=O
+C(C(=O)O)CC=O
+C(C(=O)O)CCBr
+C(C(=O)O)CCN
+C(C(=O)O)CS
+C(C(=O)O)Cl
+C(C(=O)O)N1C(=S)SCC1=O
+C(C(=O)O)N1CCCC1=O
+C(C(=O)O)c1c(F)cccc1Cl
+C(C(=O)O)c1cc(C)no1
+C(C(=O)O)c1ccsc1
+C(C(=O)O)c1n[nH]c2c1cccn2
+C(C(=O)O)c1ncccc1Cl
+C(C(=O)O)n1cnc(C)c1CN=[N+]=[N-]
+C(C(=O)OC(CCl)=O)Cl
+C(C(=O)OC)(C)Br
+C(C(=O)OC)(N)CO
+C(C(=O)OC)CCBr
+C(C(=O)OC)CCC=O
+C(C(=O)OC)CCN
+C(C(=O)OC)CC[N+](=O)[O-]
+C(C(=O)OC)N1C(Nc2c(cccc2)C1=O)=O
+C(C(=O)OCC)C(=O)c1cc(c(OC)cc1)OC
+C(C(=O)c1c(ccc(Cl)c1)O)CC(=O)O
+C(C(=O)c1c(ccc(OC)c1)O)CC(=O)O
+C(C(=O)c1c(ccc([N+]([O-])=O)c1)O)CC(=O)O
+C(C(C(Br)C(OC)=O)=O)OC
+C(C(C(C)=O)NC(c1cnc(cc1)Cl)=O)C(OC)=O
+C(C(C)CCCC(C1CCC2C3C(C4(C(CC(CC4)O)=CC3)C)CCC12C)C)O
+C(C(CCC(=O)O)=O)N
+C(C(CCCC(O)C)NC)#N
+C(C(Cl)=O)(Cl)=O
+C(C(Cl)=O)c1c(F)cccc1Cl
+C(C(Cl)=O)c1ccc2OCOc2c1
+C(C(N)C(=O)OC)(C)C(=O)OC
+C(C(N)c1ccc(nc1)OC)O
+C(C(N1CCCc2c(Br)cccc12)=O)CC(OC)=O
+C(C(O)=O)(C)=O
+C(C(O)C(C=O)O)(O)C(CO)O
+C(C(O)C(O)C(CO)O)=O
+C(C(OC(C)=O)C)CCCCl
+C(C(OC)=O)(=O)c1c2ccccc2[nH]c1
+C(C(OC)=O)(C(C)=O)CCCCC
+C(C(OC)=O)C(=O)C
+C(C(OC)=O)C(O)C(=O)OC
+C(C(OC)=O)C1CNCCC1CCC(O)c2c(cnc3ccc(OC)cc23)F
+C(C(OCC)=O)(C)Br
+C(C(OCC)=O)(c1cccnc1)=NO
+C(C(OCC)=O)=C1CCCC(C)C1
+C(C(OCC)=O)C1n2c(cc(I)c2)C(NC1)=O
+C(C(OCC)=O)S(CCNC(OCC)=O)=O
+C(C(Oc1cc(c(Cl)cc1)Cl)C)(O)=O
+C(C(c1c(cccc1)F)=O)C(OCC)=O
+C(C(c1c2cc(ccc2[nH]c1)Br)=O)CC(OC)=O
+C(C(c1cc(C)c(F)cc1)=O)CC(=O)O
+C(C(c1cc(Cl)ccc1)N)O
+C(C(c1ccc(C)cc1O)=O)CC(=O)O
+C(C(c1ccc(c([N+]([O-])=O)c1)OC)=O)CC(=O)O
+C(C(c1ccccc1C)=O)C(OCC)=O
+C(C(c1cccs1)=O)CCCl
+C(C)(=C)C=O
+C(C)(=C)c1cc(c(nc1C)C)CCl
+C(C)(=O)CC(O)C(O)CO
+C(C)(=O)NCC1C2N(C(=O)O1)c3c(cccc3)C2
+C(C)(=O)c1c(cccc1)[N+]([O-])=O
+C(C)=[N+]=CC
+C(C)C(CC)(C#CCO)O
+C(C)C(CC)(C(=O)O)C
+C(C)C(CC)(C)O
+C(C)C(CC)(c1cc2cc(oc2c(c1)C)C(OCC)=O)O
+C(C)C(CC)(c1ccc(cc1)F)O
+C(C)C(CC)(c1ccc(cc1C#N)F)O[PH](O)=O
+C(C)C(CC)(c1ccc2c(sc(C(OCC)=O)c2)c1)O
+C(C)C(CC)(c1sc2ccc(OC)cc2c1)c3ccc(c(C)c3)O
+C(C)C(CC)=O
+C(C)C(CC)C(C(O)=O)NS(=O)(=O)c1sc(cc1)Cl
+C(C)C(CC)CBr
+C(C)C(CC)CC(C)O
+C(C)C(CC)CN
+C(C)C(CC)Nc1c(nc(c(n1)CC)Br)CC
+C(C)C(CC)Oc1c(nc(cc1)I)Cl
+C(C)C(CC)[Zn+]
+C(C)C(CC)c1c2c(NC(=O)N2CCCC(OCC)=O)c(Cl)cc1
+C(C)C(CC)c1c2n(nc(C)c1)c(-c3sccc3C)c(n2)C
+C(C)C(CCCC)COc1cc([N+](=O)[O-])c(OCC(CC)CCCC)cc1C=O
+C(C)CC(=O)CC(OC)=O
+C(C)CC(=O)Cc1ccc(cc1[N+]([O-])=O)C(=O)OC
+C(C)CC(CC(=O)C)=O
+C(C)CC(CCC)(CO)CO
+C(C)CC(CCC)=O
+C(C)CC1CCC(CCC)N1Cc2ccccc2
+C(C)CCCBr
+C(C)CCCC=O
+C(C)CCCCC1(c2c(-c3c1cccc3)cccc2)CCCCCC
+C(C)CCOB(OCCCC)C=C
+C(C)CC[Sn](CCCC)(CCCC)C=C
+C(C)CC[Sn](CCCC)(CCCC)c1cccnc1
+C(C)CC[Sn](CCCC)(CCCC)c1ccco1
+C(C)CC[Sn](CCCC)(CCCC)c1ccnc(C)c1
+C(C)CC[Sn](CCCC)(CCCC)c1ccncc1
+C(C)CC[Sn](CCCC)(CCCC)c1ccns1
+C(C)CC[Sn](CCCC)(CCCC)c1cncs1
+C(C)CC[Sn](CCCC)(CCCC)c1nccn1C
+C(C)CC[Sn](CCCC)(CCCC)c1sc2C(NC(=O)OC(C)(C)C)CCCc2c1
+C(C)CN(CCC)C(CCl)=O
+C(C)N(CC)C(=O)CCl
+C(C)N(CC)C(=O)Cl
+C(C)N(CC)C(=O)c1c(c2c(cc1)cccc2)OC
+C(C)N(CC)C(=O)c1cccc(C)c1C
+C(C)N(CC)C(=O)c1cccc2c1cccc2
+C(C)N(CC)C(=O)c1sc(C(=O)OC)cc1
+C(C)N(CC)C(N)=C(C#N)C#N
+C(C)N(CC)C(c1cc([N+](=O)[O-])c(NCC=C)nc1)=O
+C(C)N(CC)C(c1ccc(cc1)Cc2ccccc2OC)=O
+C(C)N(CC)C(c1cnc(nc1)C2(CCN(CC2)CC(CCC)C)c3cc(ccc3)C(=O)O)=O
+C(C)N(CC)CC
+C(C)N(CC)CC#CCCCO
+C(C)N(CC)CCCN
+C(C)N(CC)CCCc1cc2cc(C(=O)OCC)[nH]c2cc1
+C(C)N(CC)CCCl
+C(C)N(CC)CCN
+C(C)N(CC)CCNCC
+C(C)N(CC)c1c(C)cc(cc1)Br
+C(C)N(CC)c1cc(C)cc(C(CO)O)n1
+C(C)N(CC)c1ccc(cc1)I
+C(C)NCC
+C(C)NCCC
+C(C)NCCCC
+C(C)OC(=O)C(C(=O)OCC)Br
+C(C)OC(=O)C(C(=O)OCC)C(=O)C(C)(C)c1cccc(O)c1F
+C(C)OC(=O)C(C(=O)OCC)c1ccc([N+]([O-])=O)cn1
+C(C)OC(=O)C(C(OCC)=O)=CNc1c(Cl)nc(cc1)C
+C(C)OC(=O)CC(=O)OCC
+C(C)OC(=O)N1C=Cc2cc(O)c(cc2C1Cc3cc(ccc3)OC)OC
+C(C)OC(=O)N1CCCC(CC1)=O
+C(C)OC(=O)c1c(C)ccc(OC)c1
+C(C)OC(=O)c1c(c(ccc1Cl)CN)F
+C(C)OC(=O)c1c(c(sc1N)C)C
+C(C)OC(=O)c1c2CCCC(c2sc1)=O
+C(C)OC(=O)c1c2ccc(C#N)cc2[nH]c1N
+C(C)OC(=O)c1cc(C)c(cc1)Br
+C(C)OC(=O)c1cc(CCCC)n[nH]1
+C(C)OC(=O)c1cc(OCOC)c(C)cc1
+C(C)OC(=O)c1cc(c(N)cc1)F
+C(C)OC(=O)c1cc(c(cc1)O)OC
+C(C)OC(=O)c1cc2c(C)c([nH]c2cc1)C
+C(C)OC(=O)c1cc2c(cc1)cccc2[N+]([O-])=O
+C(C)OC(=O)c1cc2cccc3c2n1CC3
+C(C)OC(=O)c1ccc(F)c(N)c1
+C(C)OC(=O)c1ccc(c([N+]([O-])=O)c1)NCCOC
+C(C)OC(=O)c1cccc(-n2c(SCOC)ncc2)c1
+C(C)OC(=O)c1cccc(N)c1
+C(C)OC(=O)c1cccc(OC)c1
+C(C)OC(=O)c1cccc(S)c1
+C(C)OC(=O)c1cccc(c1)I
+C(C)OC(=O)c1cccc(c1)NC(OCC=C)=O
+C(C)OC(=O)c1cccc(c1)Nc2ncnc3c2[nH]cc3
+C(C)OC(=O)c1cccc(c1)O
+C(C)OC(=O)c1ccnc2ccc(OC)cc12
+C(C)OC(=O)c1cnc(cc1)Cl
+C(C)OC(=O)c1n(C)nc(CC)c1
+C(C)OC(=O)c1ncc2ncc(Br)n2c1
+C(C)OC(=O)c1sc(c(c1Br)C#N)Br
+C(C)OC(=O)c1sc(nc1C(=O)O)Cl
+C(C)OC(=O)c1sc2c(c1C)c(ncn2)O
+C(C)OC(C(Br)CCCCCCCCCCCC)=O
+C(C)OC(C1=C(N=C(c2sccn2)NC1c3ccc(cc3Cl)F)CBr)=O
+C(C)OC(C=1C(=O)c2c(nc3c(c2)cc(F)c(Cl)c3)N(C)C=1)=O
+C(C)OC(C=1C(=O)c2cc(I)cc3OCCN(C=1)c23)=O
+C(C)OC(C=1C(O)=C(C(=O)N(C=1C)C)C)=O
+C(C)OC(C=1Oc2c(cc(cc2Br)OC)C(C=1)=O)=O
+C(C)OC(C=1Oc2c(ccc(c2)O)C(C=1)=O)=O
+C(C)OC(N1CCc2c(c([N+]([O-])=O)ccc2CC1)Cl)=O
+C(C)OC(N1CCc2c(ccs2)CC1)=O
+C(C)OC(OCC)C(N)=N
+C(C)OC(OCC)C(N)C
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+C(N)CCF
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+C(NCCCO)CCN1c2nc(nc(N)c2NC1=O)OCCCC
+C(NCCN)(Nc1cc(c(cc1)O)F)=O
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+C(c1cc2c(OCO2)cc1)O
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+C(c1cc2c(c(cc(C)c2)[N+]([O-])=O)[nH]1)(=O)OC
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+C(c1cc2c(cc1)ccc(C#N)c2)Br
+C(c1cc2ccccc2cc1)(=O)Nc3ccc(C)cn3
+C(c1cc2ccccc2n1C)C(=O)OCC
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+C(c1ccc(Br)c(Cl)c1)(=O)O
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+C(c1ccc(c(OC)c1C(=O)OC)Br)Br
+C(c1ccc(c([N+]([O-])=O)c1)O)(=O)O
+C(c1ccc(c(c1)O)C)(=O)O
+C(c1ccc(c(c1)O)F)(=O)O
+C(c1ccc(cc1C)O)CC(OC)=O
+C(c1ccc(cc1Cl)F)(Cl)=O
+C(c1ccc(cc1O)O)(=O)OC
+C(c1ccc(cc1OC)OC)N2c3c(cc(F)c(n3)Cl)C(=O)C(C(=O)OCC)=C2
+C(c1ccc(nc1)Cl)C(=O)O
+C(c1ccc(nc1)Cl)N
+C(c1ccc(nc1Cl)Cl)C(Nc2c(C(OC)=O)nccn2)=O
+C(c1ccc2OCOc2c1)Br
+C(c1ccc2c(c1)sc(C(=O)OCC)c2)C(=O)O
+C(c1ccc2c(ccc(n2)C)c1)(=O)O
+C(c1ccc2c(ccnc2N)c1)N
+C(c1ccc2c(noc2c1)N)N
+C(c1ccc2cc(OC)ccc2c1)O
+C(c1ccc2cc[nH]c2c1)C(=O)O
+C(c1ccc2ncccc2c1)(=O)O
+C(c1ccc2ncccc2c1)N
+C(c1ccc2ncccc2c1)n3nnc4c3nc(C(=O)C)cn4
+C(c1ccc[nH]1)(=O)Cl
+C(c1cccc(-c2c3c(sc2)cnc(Cl)n3)c1)(=O)O
+C(c1cccc(-c2occc2)c1)(=O)O
+C(c1cccc(C#N)c1)(=O)OC
+C(c1cccc(C)c1)(=O)O
+C(c1cccc(C)c1C)Br
+C(c1cccc(CC(OC)=O)c1)Br
+C(c1cccc(CP(OCC)(=O)C)c1)Br
+C(c1cccc(Cl)c1C)Br
+C(c1cccc(Cl)c1O)(=O)OC
+C(c1cccc(F)c1)Br
+C(c1cccc(F)c1)C#N
+C(c1cccc(F)c1)C(CO)N2Cc3c(ccc(Br)c3)C2=O
+C(c1cccc(F)c1)N
+C(c1cccc(N)c1)C(=O)O
+C(c1cccc(S)c1)(=O)O
+C(c1cccc([N+]([O-])=O)c1)N
+C(c1cccc([N+]([O-])=O)c1C)(=O)OC
+C(c1cccc([N+]([O-])=O)c1O)(=O)OC
+C(c1cccc(c1)C(=O)O)(=O)OC
+C(c1cccc(c1)CCl)(=O)O
+C(c1cccc(c1)F)(=O)O
+C(c1cccc(c1)I)(=O)O
+C(c1cccc(c1)OCCc2ncccc2)(=O)O
+C(c1cccc(c1C(=O)OCC)[N+]([O-])=O)Br
+C(c1cccc(c1[N+]([O-])=O)O)(=O)OC
+C(c1cccc2c1n(cc2)C)C#N
+C(c1ccccc1Br)C(Cl)=O
+C(c1ccccc1Br)CC(=O)O
+C(c1ccccc1CN=[N+]=[N-])C(=O)O
+C(c1ccccc1Cl)CBr
+C(c1ccccc1F)C(OC)=O
+C(c1ccccc1OC(=O)C)(Cl)=O
+C(c1ccccn1)(Cl)=O
+C(c1cccnc1)(=O)Cl
+C(c1cccnc1NC(CC(=O)C)=O)(=O)OC
+C(c1cccnc1NC(c2sc(cc2)Cl)=O)(=O)OC
+C(c1ccco1)(=O)Cl
+C(c1cccs1)(=NO)C#N
+C(c1cccs1)(=O)Cl
+C(c1ccnc(Cl)c1)(=O)Cl
+C(c1cnc(C)cn1)N
+C(c1cnc2c(cccc2c1Cl)OC)(CCC)=O
+C(c1cncc(c1)Br)C(=O)O
+C(c1cnccc1)NC(NCCC#C)=O
+C(c1n(ccn1)CC)(CN)=O
+C(c1nc(O)ccc1)N
+C(c1nc2cnc3c(ccc(c3)Br)c2n1N)CC
+C(c1nc2cnc3cccnc3c2n1CCCC=O)CC
+C(c1ncccc1)C(OC)=O
+C(c1ncccc1)CC
+C(c1ncccc1)CO
+C(c1ncccc1)N
+C(c1sc(-c2nc(SC)ncc2)cc1)(=O)O
+C(c1sc(cc1)Cl)(=O)O
+C(c1sc(cc1)Cl)C(=O)O
+C(n1c2c(ccc(C)n2)c(n1)C(=N)N)c3cccc(F)c3F
+C(n1c2c3c(cccc3)nc(N)c2nc1CCOC)CCCN
+C(n1c2ccc(C=O)cc2c3ccccc13)C
+C(n1c2ccccc2cc1C(=O)O)CCCl
+C(n1ccnc1)CO
+C(n1cnc(c1)[N+](=O)[O-])C#N
+C(n1ncc(c1)C(=O)OCC)CCl
+C1(=C(C(=O)OCC)C(=O)N(c2ccc(cc12)F)C)O
+C1(=C(C(=O)OCC)C(N(c2ccc(cc12)C)CCCCCC)=O)O
+C1(=C(C(C1=O)=O)OC)OC
+C1(=CC(Oc2cc(ccc12)O)=O)CC(=O)O
+C1(=CNC(=S)NC1=O)Cn2c3c(cc2)cccc3
+C1(=O)C(=C(C(=O)NN1)Cl)Cl
+C1(=O)CC(C)(C)CC(=O)C1
+C1(=O)CC2C(CCc3c2cccc3OC)N1
+C1(=O)COC(=O)N1
+C1(=O)COc2c(N1)nc(cc2)C=O
+C1(=O)N2C(=C(CSc3n(C)nnn3)CSC2C1N)C(=O)O
+C1(=O)N2C(C(=O)O)=C(C(Sc3nnn[nH]3)CC(=O)O)CSC2C1N
+C1(=O)N2C(C(=O)O)=C(CSC2C1N)COC(=O)N
+C1(=O)N2C(C(=O)O)=C(CSC2C1N)COC(CC(=O)C)=O
+C1(=O)N2C(C1N)SCC(=C2C(=O)OC)COC(C)=O
+C1(=O)NC(=O)C=C(Cl)N1
+C1(=O)NC(C(=O)N1)CC(=O)O
+C1(=O)NC(C=C(C)N1)=O
+C1(=O)Nc2ccccc2OC1
+C1(=O)OC(C(C2Cc3ccccc3C=C2)C1)=O
+C1(=O)OC(c2c1ccc(Br)c2)=O
+C1(=O)c2c(C(=O)N1CC(Cc3ccc(cc3)F)N)cccc2
+C1(=O)c2c(C(=O)N1CC(Cc3cccc(c3)F)N)cccc2
+C1(=O)c2c(cccc2OC1)O
+C1(=O)c2ccc3OCCc3c2NC1=O
+C1(=O)c2cccc(F)c2NC1=O
+C1(=O)c2ccccc2C(=O)C1(O)O
+C1(=O)c2ccccc2C(=O)N1CCBr
+C1(=O)c2ccccc2C(=O)N1CCCN3C(C(O)(c4ccccc34)c5cc6OCOc6cc5O)=O
+C1(=O)c2ccccc2C(=O)N1Cc3c(CCCC)noc3C
+C1(=O)c2ccccc2C(=O)N1OC3CCNCC3
+C1(=O)c2ccccc2C(=O)N1OCCO
+C1(=O)c2ccccc2C(=O)N1c3cc(Br)n[nH]3
+C1(=O)c2ccccc2C(=O)N1c3cc(CC)n[nH]3
+C1(C(=C(C(=O)OCC)C=CN1Cc2ccc(cc2OC)OC)N)=O
+C1(C(=CN(C2OC(C(O)C2)CO)C(N1)=O)I)=O
+C1(C(=O)CCCC1)=O
+C1(C(=O)N(c2c1cccc2)C(CF)C)=O
+C1(C(C(C(N)C1)O)O)CO
+C1(C(C(OC)=O)C2CC1CC2)N
+C1(C(C)=C(C(=O)O1)C)=O
+C1(C(C2C(C3CCC(C3(C)CC2)=C)CO)(CCC(C1)OC(=O)C)C)CO
+C1(C(C2SCC(=C(C(=O)O)N12)COC)N)=O
+C1(C(CNC1)O)O
+C1(C(CSc2ccccc2N1)N)=O
+C1(C(Cc2c(N1)cccc2)N)=O
+C1(C(N)CCC(=O)N1)=O
+C1(C(N)Cc2c(c(N)ccc2)N1)=O
+C1(C(N)Cc2c(c(cc(Br)c2)[N+]([O-])=O)N1)=O
+C1(C(Nc2c(c(Cl)c(cc2N1)[N+]([O-])=O)C#N)=O)=O
+C1(C(O)C(C(O1)n2ccc3c(ncnc23)Cl)(O)C#C)CO
+C1(C(O)C(F)(C(O1)N2C=CC(=O)NC2=O)C)CO
+C1(C(OC(=O)C)C(OC(C)=O)C2C(SC(=NC)N2)O1)COC(=O)C
+C1(C(OC)=O)CN2C(CC1)CCOC2=O
+C1(C(OC)=O)CN2C(c3c(cncc3)CCC2CC1)=O
+C1(C)(CC)NC(C(C)C(=O)C1)(C)CC
+C1(C)=C(C)C(Oc2c(C)c(ccc12)O)=O
+C1(C)C(CCOC1)=O
+C1(C)CCCC(C)N1
+C1(C)CN(CC(C)O1)Cc2cnc(N)c(C#N)c2
+C1(C)CNCC(C)N1
+C1(C=2CCCC=2C(=O)O1)=O
+C1(C=CON1)=O
+C1(C=O)=Cc2c(cccc2)N(C)C1=O
+C1(CC(=C)O1)=O
+C1(CC(=O)OCC)CCCc2c1cnn2-c3cc(c(cc3)Cl)Cl
+C1(CC(C(C(=O)C)=C(O)C1)=O)C2CSCCC2
+C1(CC(C(C=O)C1CCCc2sc(C(=O)OC)cc2)OC3OCCCC3)Cl
+C1(CC(C)(C)CC(=O)C1C(=O)C)=O
+C1(CC(C=C1)CO)Nc2ncnc(Cl)c2N
+C1(CC(CC(=O)C1)c2ccc(cc2)Cl)=O
+C1(CC(OC)=O)C(=O)N(Cc2cc(OC)ccc2C1)C
+C1(CCC(=O)N1OC(c2cc3c([nH]2)cccc3)=O)=O
+C1(CCC(C(O)=O)N1C(CCl)=O)C#C
+C1(CCC(C1)=O)C(=O)O
+C1(CCC(NC1)C)CO
+C1(CCC=C1)CC(=O)O
+C1(CCCCCCC1N)C(O)=O
+C1(CCCCN1C)C(=O)O
+C1(CCCCN1C)CCBr
+C1(CCCCN1C)CCCl
+C1(CCCNC1)C(=O)N
+C1(CCCNC1)C(=O)O
+C1(CCCNC1)C(=O)OC
+C1(CCCNC1)Cc2c[nH]c3c2ccc(c3)F
+C1(CCCNC1)F
+C1(CCCNCC1)O
+C1(CCCc2c1nccc2)N
+C1(CCN1)(C)C(OCC)=O
+C1(CCNC1)(O)C
+C1(CCNC1)C(=O)N
+C1(CCNC1)F
+C1(CCOC1)C(=O)O
+C1(CCOC1)C(N)=S
+C1(CCOC1)Oc2c(c(ccc2)O)C(=O)OC
+C1(CCc2c1c3c(OCC3)nc2)O
+C1(CCc2ccc3c(c2O1)cccc3)C(=O)O
+C1(CCc2ccccc2C1=O)CC(=O)O
+C1(CN(CC(C)O1)CC(=O)OC)C
+C1(CNC(CN1)C)CO
+C1(CNc2ccccc12)CO
+C1(CO)(CN2c3c(ncc(Cl)c13)C=CC2=O)O
+C1(CO1)c2cc([N+]([O-])=O)ccc2
+C1(COCC(C)N1)C
+C1(CSC(N1CC(=O)O)=O)=O
+C1(Cc2ccccc2N1)=O
+C1(N(C=Cc2c1cccc2[N+]([O-])=O)C(CO)C(OC)=O)=O
+C1(N(CC)N=C(c2nccnc2)C1)=O
+C1(N(CCc2c1cccc2)CCO)=O
+C1(N(CCc2ccc3nonc3c2)CCNC1)=O
+C1(N(c2cccc(c2)Br)CC(C1)C)C(=O)O
+C1(N(c2nc(SC)ncc2C=C1c3c(C)ccc(c3)C(=O)OC)C)=O
+C1(N)C2CC(CC2)C1C(=O)OCC
+C1(N2CCCC2c3c(C(=O)OCC)ncn3-c4ccccc14)=O
+C1(N2c3cc(c(F)cc3Oc4c(ccc(c4)F)C2C(NC(OC)=O)CC1)Br)=O
+C1(N=C(O)N=C2C1=Nc3cc(C)c(Cl)cc3N2CC=O)=O
+C1(NC(=O)N(C(Br)=C1C)C)=O
+C1(NC(C(=CN1)C(OCC)=O)=O)=S
+C1(NC(C(OC)=CN1)=O)=S
+C1(NC(C)CC1)C(=O)N
+C1(NC(NC(=O)C1)=O)=O
+C1(NC)CCc2ccc(OC)cc2C1
+C1(NC=C(C(N1)=O)I)=O
+C1(NC=C(C(N1)=O)[N+]([O-])=O)=O
+C1(NC=C(Cc2cnn(C)c2)C(N1)=O)=S
+C1(NC=C(c2ccc(nc2F)C)C(N1)=O)=O
+C1(NCC(=O)N2C(c3c(CC2)c(ccc3)C(=O)C)=C1)=O
+C1(NCCC1O)=O
+C1(NCCCC1CO)=O
+C1(NCCc2c1c(Cl)ccc2Cl)=O
+C1(NCCc2c1ccc(c2)O)=O
+C1(NN(C(N)=C1)C)=O
+C1(NOC(=C1)C(=O)OC)=O
+C1(Nc2c(CC1C(=O)OC)cc(Br)cn2)=O
+C1(Nc2c(NC1=O)cc(N)c(c2)Cl)=O
+C1(Nc2c(OC1)ccc(C(=O)O)c2)=O
+C1(Nc2c(OC1)ccc(C)c2)=O
+C1(Nc2c(OC1)ccc(c2)C(CC(=O)C)=O)=O
+C1(O)=CC(=O)N(c2ccc(OC)cc12)C
+C1(OC(C(=C1)C)=O)=O
+C1(OC)CCC(OC)O1
+C1(OCCC1C(=O)C)=O
+C1(OCCC1F)=O
+C1(Oc2c(c(c(OCOC)c(F)c2F)I)CC1)CCCCC
+C1(SCC(SC1)O)O
+C1([N+](=O)[O-])C(c2cc(c(O)cc2)OC)CC=CC1
+C1(c2c(C(=O)N1CC3CC(C3)n4cc(-c5cccc(OCc6ccccc6)c5)c7c(ncnc47)N)cccc2)=O
+C1(c2c(C(=O)N1CCCC#C)cccc2)=O
+C1(c2c(C(=O)N1CCS(=O)(=O)NC(C)C)cccc2)=O
+C1(c2c(C(=O)N1Cc3c4c(c(C=C)cc3)cccc4)cccc2)=O
+C1(c2c(c(C)cs2)C)CO1
+C1(c2c(cc(c(OC)c2)OC)C=CN1CC)=O
+C1(c2c(cccc2)F)(NC(COCC1F)=N)C
+C1(c2cc(C)ccc2Oc3ncccc13)=O
+C1(c2cc(ccc2C=Cc3ncc(Cl)cc13)C=C)=O
+C1(c2cc3[nH]c(-c4c(OC)nccc4Cl)nc3cc2C(N1C)=O)=O
+C1(c2cc3c(cc2)OCO3)NCCc4c5ccccc5[nH]c14
+C1(c2ccc(cc2OC1)O)=O
+C1(c2cccc(C)c2OC1)=O
+C1(c2ccccc2C(=O)N1C(=O)OCC)=O
+C1(c2ccccc2C(=O)N1C3COC4C(COC34)N=[N+]=[N-])=O
+C1(c2ccccc2C(=O)N1CCC(C)=O)=O
+C1(c2ccccc2C(=O)N1CCC(CBr)=O)=O
+C1(c2ccccc2C(=O)N1CCCOc3ccc(cc3)NC(=O)C)=O
+C1(c2ccccc2C=Cc3cccnc13)=O
+C1(c2n(c3ccccc3c2)CC1)NO
+C1(c2ncccc2)NCCC1
+C12(C(CCC1C3CCc4cc(ccc4C3C(OC)C2)O)=O)C
+C12(C)C3C(C4CCC(O)C4(CC3)C)CCC1=CC(=O)CC2
+C12(CCNC1)c3ccnc(F)c3C(O2)=O
+C12=C(CCNC1)c3c(cc(C)cc3)OC2=O
+C12=C(NC(N1)=S)CCCC2
+C12=C(NC(NC1=O)=S)CCC2
+C12=CC=C(CC1)C2
+C12C(=O)N(C(C(CC1)N2C)=O)Cc3ccccc3
+C12C(C(C(=O)O)CC1)(CC(O)C3C4(C)C(CCC23)=CC(=O)CC4)C
+C12C(C(CO1)N)OCC2Oc3c(nccc3)C
+C12C(C3(CCC(CC3CC1O)OCCO)C)CC(O)C4(C)C2CCC4C(C)CCC(OC)=O
+C12C(CC(C1)COS(=O)(=O)C)CN(C2)C(OCc3ccccc3)=O
+C12C(CCCC1)CC(CC2)=O
+C12C(CNC1)OCCO2
+C12C(c3c(NC1=O)cccc3)CCC2
+C12C(c3c(cc(CCO)cc3)NC1=O)CCC2
+C12C3CN(C1)CC23C#N
+C12C3NCCC1(COCC2)c4c(ccc(OC)c4)C3
+C12CC(=CC(CC1)N2CCO)c3cc4c(cccc4)cc3
+C12CC(CC(CC1)N2)=C3c4c(Oc5ccccc35)cc(cc4)Br
+C12CC(CC(CC1)N2)O
+C12CC(CN1C)NC2
+C12CC(OCCO)C(C1)CN2
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c(ccc(B(O)O)c4)Cl
+C12CC3(CC(C1)CC(C3)C2)CNC(=O)c4c5c(ccc4Cl)nc(cc5)Cl
+C12CC3(CC(C1)CC(C3)C2)CNC(c4c(Cl)ccc(NCCCl)c4)=O
+C12CC3(CC(C1)CC(C3)C2)CNC(c4c(Cl)ccc(O)c4)=O
+C12CC3(CC(C1)CC(C3)C2)CNC(c4cc(ccc4Cl)CCC(OC)=O)=O
+C12CC3(CC(C1)CC(C3)C2)COC(NC(CNC(=O)c4ccc(s4)CCC(=O)OC)C(=O)OC(C)(C)C)=O
+C12CC3(CC(CC(C1)(N)C3)C2)C(OC)=O
+C12CC3CC(C1)CC(C2)(C3)Br
+C12CC3CC(C1)CC(C2)(C3)C(=O)O
+C12CC3CC(C1)CC(C2)(C3)CNC(c4c(Cl)cnc(Br)c4)=O
+C12CC3CC(C1)CC(C2)(C3)N
+C12CC3CC(C1)CC(C2)(C3)N=C=O
+C12CCC(Cc3c(C1)ccc(c3)O)C2=O
+C12CCC(N1CCNC2)=O
+C12CCC(NC1)C2
+C12CCCC(CC(C1)C(=O)OCC)N2
+C12CCCC(CN(C1)Cc3ccc(cc3)F)N2
+C12CCCCC13CCNC2Cc4ccc(cc34)O
+C12CCCCC1NC(C(O)=O)C2
+C12CN(CC(CC1)C2=O)Cc3ccccc3
+C12CN(CC(CNC1)O2)CCNS(=O)(=O)c3ccc(cc3)C#N
+C12CNCCN1C(OC2)=O
+C12N(CC(CO)NC1)CCOC2
+C12c3ccccc3Cc4ccccc4N1CCNC2
+C1=2N3C(N(C(=O)N3C)CCO)N=C1N(C=NC=2c4occc4)N
+C1=C(C(C=C(C)O1)=O)O
+C1=C(C(C=C(CO)O1)=O)O
+C1=C(C(C=C(O1)CN=[N+]=[N-])=O)O
+C1=C(C(C=CO1)=O)O
+C1=C(CCOC1)c2ccnc(F)c2
+C1=C(Cl)NC(n2c1ncc2)=O
+C1=C(c2c(cc(c([N+]([O-])=O)c2)C)F)C=CC(=O)N1C
+C1=CC(=C(C#N)C(N1CCCC)=O)O
+C1=CC(=C([N+](=O)C1=C=[N-])C)C
+C1=CC(Br)=CC(N1CC(C(=O)OC)C)=O
+C1=CC(C(C(C)c2ccc(OC)c(Cl)c2Cl)=O)=CN(C)C1=O
+C1=CC(CC1)=O
+C1=CC2C=CC1C2
+C1=CC=C(Br)C(N1CCC)=O
+C1=CC=C(c2c(c(F)c(cc2)OCC)F)[Se]1
+C1=CCC=CC1(CCO)c2ccccc2
+C1=CCNC1
+C1=CNC(C(=O)N1CC)=O
+C1=CNC(C(N1CC(OCC)=O)=O)=O
+C1=Cc2ccc(F)c(F)c2OC1
+C1=Cc2ccc(cc2OC1)F
+C1=Cc2oc(C)cc2C(N1CCN)=O
+C1C(=C)CC(C(=O)O)C1N
+C1C(=NN(C)C1=O)C(=O)OC
+C1C(=O)C(C(CC1)=O)C
+C1C(=O)Cc2c(ccc([N+]([O-])=O)c2)CC1
+C1C(=O)NC(CC12CCN(CC2)Cc3ccccc3)=O
+C1C(=O)OC(CC1)=O
+C1C(Br)C(CCN1C(=O)C)=O
+C1C(C(=O)O)=NNC1=O
+C1C(C(=O)O)c2cnn(C)c2CC1
+C1C(C(C(=O)OC)CNC1)=O
+C1C(C(OC)=O)C1C(Cl)=O
+C1C(C(OC)=O)N2C(CC1)SCCC(C2=O)N
+C1C(C)C(CCN1C(=O)OC)N
+C1C(C)C(N)CC1
+C1C(C)N(C(CN1)C)Cc2ccccc2
+C1C(C)OC(CC1(c2nc(CO)cs2)O)C
+C1C(C)OC(CN1CCN)C
+C1C(C)OC(CN1c2c(C=O)cc(c(F)c2F)COC(=O)C)C
+C1C(C)OC(CN1c2c(cc(c(F)c2F)Br)C=O)C
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+C1CC(CCN1)C(C)(C)O
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+C1CC(CCN1)CN2C(C=C(NC2=O)Cl)=O
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+C1CC(CCN1)N2c3cc(F)ccc3CC2
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+C1CC(CCN1c2cccc3OCCOc23)=O
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+C1CC(CCO1)(c2ncccc2)O
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+C1CC(CCO1)C(c2ccccc2)O
+C1CC(CCO1)C2(CCCN(C2)C)N
+C1CC(CCO1)C2CNC2
+C1CC(CCO1)CC(C(=O)O)c2ccc(cc2)S(=O)(=O)C
+C1CC(CCO1)CC(C(N(C)OC)=O)n2ncc3c(OC)ccnc23
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+C1CC(CCO1)O
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+C1CC(CCS1)N2c3cnc(Cl)nc3N4CCOCC4C2=O
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+C1CC(CC[Se]1)=O
+C1CC(CN2CCNCC12)CO
+C1CC(F)(F)CCC1Nc2c3cccc(N)c3nc(C)n2
+C1CC(F)(F)CCC1Nc2nc(nc(NC3CCC(F)(F)CC3)n2)-c4nc(F)ccc4F
+C1CC(F)(F)CCC1Oc2c(cc(C(OC)=O)c(F)c2)Cl
+C1CC(F)(F)CCN1
+C1CC(N(C(=O)OC)c2ccc(c(O)c12)Br)C
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+C1CC(N)Cc2c3n(c(CC(OCC)=O)c12)cccc3
+C1CC(N2C(C)CCC2)CN1
+C1CC(NC1)c2ccnc(-n3c4c(cccc4)nc3)c2
+C1CC(NC1C(=O)O)=O
+C1CC(NC1O)=O
+C1CC(NCC1)C(OC)=O
+C1CC(Nc2cccc(OCCCCl)c12)=O
+C1CC(Nc2cccc(c12)O)=O
+C1CC(O)c2cccc(C)c12
+C1CC(O)c2cccc(Cl)c12
+C1CC(c2c1c(Br)ccc2)=O
+C1CC(c2c1c(Br)cnc2)=O
+C1CC(c2c1c(O)c(C)cc2)=O
+C1CC(c2c1c(ccc2)OC)=O
+C1CC(c2cccc(c12)O)=O
+C1CC(n2c3ncnc(Cl)c3nc2-c4cccc5ccccc45)OCC1
+C1CC1(C#N)N
+C1CC1(C(=O)N)C(=O)O
+C1CC1(C(=O)O)C#N
+C1CC1(C(O)=O)N2CCNCC2
+C1CC1(C(O)=O)c2ccc(cc2)Cl
+C1CC1(C(O)=O)c2ccc(cc2)OC
+C1CC1(C(OC)=O)c2nc(-c3ccc(F)cc3F)c([nH]2)-c4ccc(N)c(O)n4
+C1CC1(C(OCC)=N)c2ccccc2OC
+C1CC1(C(OCC)=O)NC(=O)c2cc([N+]([O-])=O)ccc2
+C1CC1(C(OCC)=O)NC(=O)c2cncnc2
+C1CC1(C)N
+C1CC1(C=C(F)C(=O)OC)c2ccc3c(OCO3)c2
+C1CC1(CCOC)N
+C1CC1(CN)C#N
+C1CC1(CNC(c2cc(-c3cccc(Cl)c3)c(c(-c4cccc(Cl)c4)c2)OCOC)=O)CO
+C1CC1(N)C(=O)O
+C1CC1(N)C(=O)OC
+C1CC1(N)C(OCC)=O
+C1CC1(N)CCO
+C1CC1(N)c2ccc(c(c2)F)F
+C1CC1(N2CCSCC2)C(O)=O
+C1CC1(NC2=NC=CN(c3c(ccc(C(=O)OC)c3)C)C2=O)c4c(O)cccc4
+C1CC1(NCc2ccccc2)c3ccc(cc3)Br
+C1CC1(O)C
+C1CC1(O)C(=O)O
+C1CC1(O)CCOC2OCCCC2
+C1CC1(O)COC
+C1CC1(Sc2cc(c(F)cc2Cl)N)C(O)=O
+C1CC1(c2c(OCOC)ccc(C)c2O)CO
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4cc(Br)c(cc4)C
+C1CC1(c2cc3OCOc3cc2)C(=O)Nc4cc(c(cc4)C(=O)OC)Br
+C1CC1(c2ccc(Br)cc2F)C(=O)O
+C1CC1(c2ccc(cc2)Br)C(=O)N
+C1CC1(c2ccc3c(OCO3)c2)C(O)=O
+C1CC1(c2ccc3c(cccn3)c2)C(Cl)C=O
+C1CC1(c2ccccc2)C(O)=O
+C1CC1(c2cnccc2)C(=O)O
+C1CC12C(=O)c3c(CC2)ccc(c3)Br
+C1CC12C(Nc3c2ccnc3)=O
+C1CC12CCN(CC2=O)Cc3ccccc3
+C1CC12CCNCC2
+C1CC12CCOc3cccc(OCOC)c23
+C1CC12CN(c3nc(ncc3NC2=O)Cl)C4CCCCC4
+C1CC12COCCNC2
+C1CC1Br
+C1CC1C#C
+C1CC1C#CCO
+C1CC1C#N
+C1CC1C(=O)C2CCc3nc(NC(C)=O)sc3C2=O
+C1CC1C(=O)CC(OC)=O
+C1CC1C(=O)Cl
+C1CC1C(=O)N
+C1CC1C(=O)N2CCC(CC2)(O)CN3C=Nc4c(C3=O)cnn4-c5ccc(cc5)Br
+C1CC1C(=O)Nc2cn3cc(Oc4ccc(cc4)N)ccc3n2
+C1CC1C(=O)OCC
+C1CC1C(=O)c2cnc3ccc(Br)cc3c2O
+C1CC1C(Br)C(=O)OCC
+C1CC1C(C)(c2c(cccc2)O)O
+C1CC1C(C)=O
+C1CC1C(C)N
+C1CC1C(C)O
+C1CC1C(C2CC2)=O
+C1CC1C(N)=NO
+C1CC1C(NC(c2ccccc2)C)C#N
+C1CC1C(NCc2ccc(Cl)c(NN)c2)=O
+C1CC1C(NN)=O
+C1CC1C(O)=O
+C1CC1C(O)c2c(-c3c(F)cc(Cl)cc3)ccnc2
+C1CC1C(OC)=O
+C1CC1C(c2cc(c(F)cc2)OC)CC(=O)OC
+C1CC1C(c2ncnc(Cl)c2)CC(=O)OCC
+C1CC1C2(C#N)C(=O)N(c3ccnc(n3)Cl)CC2
+C1CC1C2(C(N(c3cc(ncc3)Br)CC2)=O)C#N
+C1CC1C2(C3CC3)c4cc(B(O)O)ccc4NC(O2)=O
+C1CC1C2(NC(=O)OC2)c3cc(ccc3F)Br
+C1CC1C2CN(CC2C=O)CC=C
+C1CC1C=2Nc3ccccc3C4=NN(c5ccc(cc5)C(=O)O)C(C=24)=O
+C1CC1C=CC#N
+C1CC1C=O
+C1CC1CBr
+C1CC1CC(=O)Cl
+C1CC1CC(C#N)c2ccc(Cl)nc2
+C1CC1CC(C)(C#N)N
+C1CC1CC(CC2CC2)O
+C1CC1CC(O)=O
+C1CC1CCBr
+C1CC1CCC(=O)O
+C1CC1CCCCCCCCC(O)=O
+C1CC1CCCN
+C1CC1CCN
+C1CC1CCO
+C1CC1CCOc2nc3c(c(n2)N)nc(OC)[nH]3
+C1CC1CCl
+C1CC1CI
+C1CC1CN
+C1CC1CN2C(=C(c3cc(Br)ccc3C2=O)O)C(OCC)=O
+C1CC1CN2C(N(C)C(C=C2NN)=O)=O
+C1CC1CN2CCC34C5(C2Cc6ccc(c(c36)OC4C(=O)CC5)O)O
+C1CC1CN2c3[nH]c(nc3C(=O)N(Cc4ccccc4F)C2=O)Cc5ccc(cc5)NC
+C1CC1CN2c3ccccc3-c4c(C(N)C2=O)cccc4
+C1CC1CNC(N)=S
+C1CC1CNC(Nc2ccc(cc2)C(OCC)=O)=O
+C1CC1CNCC
+C1CC1CNCC2CC2
+C1CC1CNCCC
+C1CC1CNS(=O)(=O)N
+C1CC1CO
+C1CC1CON
+C1CC1CONC(c2c(Nc3c(C)cc(Br)cc3)c(c4c(n(cn4)CCCC=C)c2)F)=O
+C1CC1COc2c(-c3n(C)cnc3-c4nccc(C(=O)O)c4)ccc(c2)F
+C1CC1COc2c(Br)ccc(C(=O)O)n2
+C1CC1COc2c(Cl)nc(C(=O)O)cc2
+C1CC1COc2c(OC)ccc(-c3cccc4c3CCC4=O)c2OCOC
+C1CC1COc2cc(c(Br)cc2)OC
+C1CC1COc2ccc(F)c(C#N)c2
+C1CC1COc2ccc(cc2)S(=O)(=O)O
+C1CC1COc2ccc3c(c2)oc(C4CCC(CC4)OCC(C)=O)c3
+C1CC1COc2ccnc(CCl)c2
+C1CC1COc2ncc(cc2)OC3CCNC3=O
+C1CC1Cc2c(-c3ccnc(n3)SC)cnc(N)n2
+C1CC1Cc2c(ccc(c2O)C(OC)=O)O
+C1CC1Cn2c(Cc3ccc(cn3)O)nc4c2ccc(C#N)c4
+C1CC1Cn2c3c(cccn3)cc2C=O
+C1CC1N
+C1CC1N(Cc2cccc(c2Cl)Cl)C(=O)CC(CO)NC(OCc3ccccc3)=O
+C1CC1N(c2cccc(Br)c2Cl)C(c3cc(N4C(=O)Nc5c(c(C(=O)OC)sc5)C4=O)c(s3)Cl)=O
+C1CC1N2C(=O)C=3C(=CC(N(C)C=3N(C2=O)c4cccc([N+](=O)[O-])c4)=O)O
+C1CC1N2C(=O)NC(c3c2cc(c(c3)F)F)=O
+C1CC1N2C(C(N)C)=Cc3cccc(c3C2=O)Cl
+C1CC1N2C(Nc3ccccc3C2=O)=O
+C1CC1N2C=C(C(=O)O)C(=O)c3cc(c(cc23)Cl)F
+C1CC1N2C=C(C(=O)O)C(=O)c3cc(c(cc23)F)F
+C1CC1N2C=C(C(=O)c3c(Br)c(c(c(F)c23)F)F)C(=O)OCC
+C1CC1N2C=C(C(c3cc(F)c(c(OC)c23)N4CCNC(C4)C)=O)C(O)=O
+C1CC1N2C=C(C(c3cc(c(c(c23)F)F)F)=O)C(OCC)=O
+C1CC1N2CCNCC2
+C1CC1N2c3c(c(F)c(F)cc3C(=O)N(N)C2=O)C
+C1CC1N2c3c(c(c(F)cc3C(C(C(O)=O)=C2)=O)F)Cl
+C1CC1N2c3c(cc(c(F)c3F)F)C(=O)C(C(=O)O)=C2
+C1CC1N2c3c(cccc3)NCC2
+C1CC1N2c3nc(c(F)cc3C(C(C(O)=O)=C2)=O)Cl
+C1CC1N=C=S
+C1CC1NC(=O)Nc2cc(F)c(cc2)Oc3c4c(ncc3)cc(s4)-c5ccc(C6OCCCO6)cn5
+C1CC1NC(=O)c2cc(-n3c(c(C(=O)c4cc(O)ccc4)cn3)N)c(cc2)C
+C1CC1NC(=O)c2cc(F)c(C)c(c2)B(O)O
+C1CC1NC(=O)c2cc(N3C=C(Br)NC(=NC(C)(C)c4c(SCCOCc5ccccc5)cccc4)C3=O)c(C)c(c2)F
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+C1CCCC(n2cc(-c3nc4c(cc3)[nH]cc4)cn2)O1
+C1CCCC(n2cnc3c2nc(nc3Cl)Cl)O1
+C1CCCC(n2cnc3c2nc(nc3N)F)O1
+C1CCCC(n2cnc3c2nc(nc3N)OC(CC)C)O1
+C1CCCC(n2cnc3c2ncnc3Br)O1
+C1CCCC(n2cnc3c2ncnc3Cl)O1
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+C1CCCC(n2nc(C=O)c([N+]([O-])=O)c2)O1
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+C1CCCC1CC#C
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+C1CCCC1CC(C(O)=O)N
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+C1CCCC1NC(C2(CO)C(NCCC2)=O)=O
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+C1CCCC1c2c3nc(nc(O)c3on2)-c4c(OCC)cccc4
+C1CCCC1c2cc(O)ccc2
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+C1CCCC1n2c(N)c(C(N)=O)nn2
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+C1CCCCC12NC(C(=N2)c3ccc(cc3)OC)=O
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+C1CCCCC1C2(CCN(CC2)C(OCc3ccccc3)=O)C(=O)O
+C1CCCCC1CC(=O)Cl
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+C1CCCCC1CC(C(Cl)=O)Br
+C1CCCCC1CC(C(O)=O)CCCC
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+C1CCCCC1CCCCC(=O)O
+C1CCCCC1CCNCc2cnc(cc2)Br
+C1CCCCC1CN
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+C1CCCCC1N2C(=O)CCC2
+C1CCCCC1N2C(C=C(C)N2)=O
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+C1CCCCC1Oc2ccc(cc2)-c3cc(O)nnc3CCCC
+C1CCCCC1Oc2ccc(cc2)CC(Cl)=NO
+C1CCCCC1S(=O)(=O)Cl
+C1CCCCC1[Mg]Br
+C1CCCCC1c2[nH]c(C)cn2
+C1CCCCC1c2c(Br)n(CCC(O)=O)c3c2ccc(C(OC)=O)c3
+C1CCCCC1c2c(C(O)=O)cccc2
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+C1Cc2ccc(nc2NC1)CCC(OCC)=O
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+C1Cc2ncccc2CCC1
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+C1N(CC1C#N)C(=O)C(N)C2CC2
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+C1N(CCCC1CCl)C
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+C1NC(CNC1C)C
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+C1NCC12N(C)CCC2
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+C1NCC1N2CC(C2)NC(C=C)=O
+C1NCC1N2CCNC(=O)C2
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+C1NCC1OC
+C1NCC1OCCOC2CCCCO2
+C1NCC1Oc2cc(ccc2Br)F
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+C1NCC1Oc2ccc(cn2)I
+C1NCC1Oc2ncc(cc2)Br
+C1NCC1c2nccnc2Cl
+C1NCC2C(C)c3ccc(OC)cc3C12
+C1NCCOc2ccc(-c3cc4c(cc3)nc(C)[nH]4)cc12
+C1NCCn2ccnc12
+C1OB(OCC1(C)C)c2ccccc2C#N
+C1OC(C)(C)OCB1B2OCC(CO2)(C)C
+C1OC(CCC1)OCC#Cc2cc(c(N)cc2)F
+C1OC(CCC1)OCC(CO)OC
+C1OC(CCC1)OCC(n2c3c(cncn3)c(I)c2)C
+C1OC(CCC1)OCC2N(C)C(CC2)=O
+C1OC(CCC1)OCC=2OC=C(O)C(=O)C=2
+C1OC(CCC1)OCCBr
+C1OC(CCC1)OCCC#C
+C1OC(CCC1)OCCCBr
+C1OC(CCC1)OCCO
+C1OC(CCC1)OCCOc2c(ccc(Cl)n2)C#N
+C1OC(CCC1)OCCc2cc(ccc2)Br
+C1OC(CCC1)OCc2cnnn2-c3cccc(c3)C(=O)OC
+C1OC(CCC1)OCc2sc(C=O)nc2
+C1OC(CCC1)ON
+C1OC(CCC1)Oc2cc(C)c3c(B(OC3CC(OCC)=O)O)c2
+C1OC(CCC1)c2c(C#N)c(nc(c2C#N)C)N
+C1OC(OC(COc2c(c(F)ccc2[N+]([O-])=O)F)C)CCC1
+C1OC1(C(C)c2ncccc2)c3ccc(cc3F)F
+C1OCC(CO)NC1
+C1OCC(NC1)=O
+C1OCC1(CBr)CO
+C1OCC1(CC(=O)OCC)N
+C1OCC1(CO)C
+C1OCC1(CO)CCC
+C1OCC1(c2ccc(cc2)OCc3cccc(c3)-c4c(cc(cc4C)O)C)CC(=O)OCC
+C1OCC1(c2nccs2)N
+C1OCC12CCC(CC2)=O
+C1OCC1=CC(OCC)=O
+C1OCC1=O
+C1OCC1CN
+C1OCC1N
+C1OCCOCC12NCC(c3cc(F)ccc3)NC2=O
+C1ONCC1
+C1Oc2c(-n3cc(C(OC)=O)nc13)cccc2
+C1Oc2c(cc(cc2)C=O)O1
+C1Oc2c(cc3CNCCc3c2)O1
+C1Oc2ccc(cc2O1)CCl
+C1Oc2cccc(c2NC1CO)OC
+C1SC=2C(N3C(C=CC(=C3)C(=O)OCC)=NC=2C1)=O
+C1Sc2c(cc(cc2)CC(O)=O)C(=O)c3c1cccc3
+C1c2[nH]c3c(cccc3)c2CCN1
+C1c2c(C(=O)c3ccc(Cl)cc3C1)cccc2OC
+C1c2c(C(CC1)=O)ccc(c2)O
+C1c2c(CC(=O)C1)cccc2O
+C1c2c(CC1)c(-c3nc(C)no3)c(N)s2
+C1c2c(CCC1)c(O)ccc2
+C1c2c(CN1)cnn2C
+C1c2c(CN1S(=O)(=O)c3ccc(cc3)C)c(Cl)sc2Cl
+C1c2c(NCCC1)cc[nH]2
+C1c2c(OC1CC)cccc2
+C1c2c(Sc3c(C1=O)ccc(C(=O)O)c3)cccc2
+C1c2c(cc[nH]2)C(NC1)=O
+C1c2c(ccc(c2)O)CCC1C(=O)O
+C1c2c(cccc2)NCc3ccnn13
+C1c2c(cccc2O)C(CC1)=O
+C1c2c(cncc2Br)C(C(C1)C(OC)=O)=O
+C1c2c3cc(OC)ccc3[nH]c2C(CC(OCC)=O)C1
+C1c2cc(OC)ccc2OCC1C(=O)O
+C1c2ccc(Br)c3cccc(c23)C1
+C1c2ccccc2C(=O)c3cc(ccc3O1)C=O
+C1c2ccccc2CC1(N)C(=O)OC
+C1c2ccccc2CC13N(C)C(=O)NC3=O
+C1c2ccccc2CC1Nc3nc(nc4c3nc[nH]4)Cl
+C1c2ccccc2OC1
+C1c2ncccc2CN1
+C1c2sc(cc2CC1)C(=O)OC
+C1n2c3ccc(C(=O)O)cc3nc2CNC1
+C=1(C(=O)C)C(=O)C2(c3c(c(C(=O)N)c(OC)cc3O)OC2=CC=1O)C
+C=1(C(N(C)C(C)=CC=1O)=O)C(=O)C
+C=1(C(NC(N(C=1)COC)=O)=O)[N+]([O-])=O
+C=1(C(OCC)=O)C(=O)c2cc(c(c(F)c2N3C(SC=13)C)F)F
+C=1(C)C(CC(C=1CC=C)=O)O
+C=1(C)[N+](C(=C=[N-])C(=CC=1)Cl)=O
+C=1(Cl)NCCN=1
+C=1(N(CCCC)C(NC(=O)C=1)=O)C
+C=1(N)NC(=O)NC(=O)C=1
+C=1(N)NC(NC(=O)C=1)=S
+C=1(N=C2N(C(C=1CCBr)=O)C(=CS2)C)C
+C=1(N=C2SC=C(C)N2C(C=1)=O)C(C)Br
+C=1(NC(n2c(ncc2)C=1)=O)c3cc(Cl)ncc3
+C=12C(CC(CC=1NC(=C(C#N)C2c3cc(c(O)c([N+]([O-])=O)c3)Br)C)CCC)=O
+C=1C(C(Cl)(SC=1)C(=O)OC)=O
+C=1C(Oc2c(ccc(c2)O)C=1)=O
+C=1C=C(C=C)C(N(c2ccc([N+]([O-])=O)cc2OC)C=1)=O
+C=1C=C(N(C(=C2[N+](C=CC=C2)=O)C=1C)[O-])C
+C=1C=CCC=1
+C=1CNCCC=1c2c3cccnc3[nH]c2
+C=1N(C(CO)C)c2c(c(F)c(cc2C(=O)C=1C(=O)OCC)F)F
+C=1OC(c2cccc([N+]([O-])=O)c2C=1)=O
+C=C(C)Cc1c(O)c(ccc1Cl)[N+]([O-])=O
+C=C=C
+C=CC(=O)C
+C=CC(=O)O
+C=CC(=O)OC
+C=CCOC(CC(=O)C)=O
+C=CCn1c2c(N(CCCC)C(NC2=O)=O)nc1
+C=CS(=O)(=O)C=C
+C=C[Mg]Br
+C=C[Mg]Cl
+C=Cc1c(Cl)c(cc2nc(OC)c(nc12)OC)Cl
+C=Cn1c2c(c(Cl)nc(n2)Cl)nc1
+C=Cn1c2c(c(ncn2)Cl)nc1
+C=O
+C=[N+]=[N-]
+CC(=O)C(C(C)=O)C
+CC(=O)CC(C)=O
+CC(=O)CCCCCCCC(=O)O
+CC(=O)NCC(=O)O
+CC(=O)Nc1cc(C)c(cc1)Br
+CC(=O)Nc1cc(F)c(cc1)C(=O)C
+CC(=O)Nc1cc(c(cc1)Br)C(=O)O
+CC(=O)Nc1cc(c(cc1)O)C(=O)C
+CC(=O)Nc1ccc(c(-c2ccnn2C)c1)O
+CC(=O)Nc1cccc(CBr)c1
+CC(=O)Nc1cccc(c1)O
+CC(=O)Nc1scc(n1)C(=O)O
+CC(=O)OC(C)=O
+CC(C(=O)O)c1cc(Cl)c(cc1)-n2nccc2
+CC(C(=O)O)c1ccc([N+]([O-])=O)c(F)c1
+CC(C(=O)O)c1ccc2ncccc2c1
+CC(C(=O)O)c1cccc(OC)c1
+CC(C(=O)OC(=O)C(C)=C)=C
+CC(C(C)N)N
+CC(C)(C#C)N
+CC(C)(C#C)O
+CC(C)(C#N)C(=O)CC#N
+CC(C)(C#N)C(N)C1CC1
+CC(C)(C#N)Cc1cc(Br)ccc1
+CC(C)(C#N)O
+CC(C)(C#N)c1c(Cl)cc(cc1)OC
+CC(C)(C#N)c1c(cc(cc1)[N+](=O)[O-])Br
+CC(C)(C#N)c1cc(Br)c(F)cc1
+CC(C)(C#N)c1cc(cc(C(C)(C)C#N)c1)C
+CC(C)(C#N)c1ccc(cc1)Br
+CC(C)(C#N)c1ccc(cn1)[N+]([O-])=O
+CC(C)(C#N)c1cccc(Br)n1
+CC(C)(C#N)c1nsc2ccc([N+](=O)[O-])cc12
+CC(C)(C#N)n1ncc(Cl)c1
+CC(C)(C(=O)Br)Br
+CC(C)(C(=O)C(=O)OC)C(=O)OC
+CC(C)(C(=O)C)CCl
+CC(C)(C(=O)N)c1c(O)cccc1
+CC(C)(C(=O)O)N(C)C
+CC(C)(C(=O)O)c1ccc(cc1)S(=O)(=O)C=CC#N
+CC(C)(C(=O)OC)CCC(Cl)=O
+CC(C)(C(=O)OC)COCc1ccccc1
+CC(C)(C(=O)OC)COc1ncc(-c2cc3nc(cc(C(=O)O)c3cc2)C)cc1
+CC(C)(C(=O)OC)c1ncc(Br)cc1[N+]([O-])=O
+CC(C)(C(=O)OCC)Br
+CC(C)(C(C)(C)O)O
+CC(C)(C(C)=O)CO
+CC(C)(C(C)C)C(=O)C
+CC(C)(C(Cl)=O)CC
+CC(C)(C(Cl)=O)CCl
+CC(C)(C(N)C(=O)O)S
+CC(C)(C(NC)=O)CNC1CCCC1
+CC(C)(C(O)=O)CC
+CC(C)(C(O)=O)CCC
+CC(C)(C(O)=O)CCCCOCCCCCl
+CC(C)(C(O)=O)CO
+CC(C)(C(O)=O)NC(=O)OCc1ccccc1
+CC(C)(C(O)=O)c1cc(cnc1)Br
+CC(C)(C(O)C)O
+CC(C)(C(OC)=O)Br
+CC(C)(C(OC)=O)N
+CC(C)(C(OC)=O)OCCCCCCCC=C
+CC(C)(C(OC)=O)Oc1c(cc(O)c(Cl)c1)Cl
+CC(C)(C(OC)=O)c1cc(Br)c(c(C=O)c1)OC
+CC(C)(C(OCC)=O)C#N
+CC(C)(C(OCC)=O)CC(=O)CBr
+CC(C)(C(OCC)=O)Oc1ccc(cc1)OCCCl
+CC(C)(C(OCC)=O)n1cc([N+]([O-])=O)cn1
+CC(C)(C(c1cc2OCOc2cc1)O)[N+]([O-])=O
+CC(C)(C)C#C
+CC(C)(C)C(=N)OC
+CC(C)(C)C(=N)OCC
+CC(C)(C)C(=NO)N
+CC(C)(C)C(=O)C(F)(C)n1cncn1
+CC(C)(C)C(=O)CBr
+CC(C)(C)C(=O)CC#N
+CC(C)(C)C(=O)CCl
+CC(C)(C)C(=O)COc1c(C)cc(C(CC)(CC)c2ccc(cc2)I)cc1
+CC(C)(C)C(=O)Cl
+CC(C)(C)C(=O)N
+CC(C)(C)C(=O)N(C1CC(N(C1)C(=O)OC(C)(C)C)C(=O)O)C2CCC(CC2)C
+CC(C)(C)C(=O)Nc1c(Br)ccc(c1)OC
+CC(C)(C)C(=O)Nc1c(F)cc(c(c1)F)F
+CC(C)(C)C(=O)Nc1cc(F)cc(OCc2ccccc2)c1C(O)=O
+CC(C)(C)C(=O)Nc1ccc(c(C)n1)C=O
+CC(C)(C)C(=O)Nc1ccc(nc1)N2CCN(CC2)C
+CC(C)(C)C(=O)Nc1cccc(-c2cc(OC)c(cc2OC)CCO[Si](C)(C)C(C)(C)C)n1
+CC(C)(C)C(=O)Nc1cccc(OC)c1
+CC(C)(C)C(=O)Nc1nc(-c2c(OC)cc(c(CC)c2)CCO[Si](C)(C)C(C)(C)C)ccc1
+CC(C)(C)C(=O)Nc1nc(O)c2c3ccccc3[nH]c2n1
+CC(C)(C)C(=O)Nc1nc(c2c(C#CCO)cn(c2n1)Cc3c(c(c(C)cn3)OC)C)Cl
+CC(C)(C)C(=O)Nc1nc(ccc1)Cl
+CC(C)(C)C(=O)O
+CC(C)(C)C(=O)OC(=O)C(C)(C)C
+CC(C)(C)C(=O)OC1CC(C1)O
+CC(C)(C)C(=O)OCC(N)=S
+CC(C)(C)C(=O)OCN1C(c2c(cc(cc2O)OC)N=C1)=O
+CC(C)(C)C(=O)OCN1C=Nc2cc(OCC(O)CN3CCCC3)c(OC)cc2C1=O
+CC(C)(C)C(=O)OCN1C=Nc2cc(OCC3CO3)c(OC)cc2C1=O
+CC(C)(C)C(=O)OCn1nc(cc1)I
+CC(C)(C)C(=O)Oc1cc2CCC(Cc2cc1)c3ccc(cc3NCC)OC
+CC(C)(C)C(=O)c1cc(c(CC(C(=O)O)(C(=O)O)C)cc1)Br
+CC(C)(C)C(=O)c1cc(ccc1-c2cc(ccc2F)OC)CO
+CC(C)(C)C(=S)N
+CC(C)(C)C(C#C)O
+CC(C)(C)C(C#N)C#N
+CC(C)(C)C(C(=O)N(C(C=C(C(=O)OCC)C)C(C)C)C)N
+CC(C)(C)C(C(=O)N1C2CC(NC2)C1)NC(=O)c3[nH]c4ccccc4c3
+CC(C)(C)C(C(=O)N1CCC(CC1)C#N)N
+CC(C)(C)C(C(=O)O)C
+CC(C)(C)C(C(O)=O)N
+CC(C)(C)C(C(OC(C)(C)C)=O)NCCN1C(c2ccccc2C1=O)=O
+CC(C)(C)C(C(OC)=O)N
+CC(C)(C)C(C)=O
+CC(C)(C)C(C)NC(c1ccc(nc1)Cl)=O
+CC(C)(C)C(CC(=O)N)N
+CC(C)(C)C(CC(=O)OC)N
+CC(C)(C)C(CC(OCC)=O)=O
+CC(C)(C)C(CN)O
+CC(C)(C)C(CN1c2nc(C)nn2C(=C(C1=O)Cc3ccc(cc3)-c4ccccc4C#N)CCC)=O
+CC(C)(C)C(CO)(O)C
+CC(C)(C)C(CO)CO
+CC(C)(C)C(N)C
+CC(C)(C)C(N)C#N
+CC(C)(C)C(N)C(=O)NC
+CC(C)(C)C(N)C(=O)NCCO
+CC(C)(C)C(N)CO
+CC(C)(C)C(NC(OC(C)(C)C)=O)C(O)=O
+CC(C)(C)C(NC(OCc1ccccc1)=O)C(=O)O
+CC(C)(C)C(NCc1ccc(c([N+]([O-])=O)c1)NCOC(=O)N2CCCC2)C
+CC(C)(C)C(Nc1c(F)c(-c2nc(sc2-c3nc(ncc3)SC)C4CC4)cc(Cl)c1)=O
+CC(C)(C)C(Nc1c(c2OCC3C(C3(Br)Br)c2c(F)c1)C(=O)OC)=O
+CC(C)(C)C(Nc1c(cccc1)-c2ncccn2)=O
+CC(C)(C)C(Nc1cc(Br)c(F)cc1)=O
+CC(C)(C)C(Nc1ccc(F)cc1F)=O
+CC(C)(C)C(Nc1ccc(cc1)Br)=O
+CC(C)(C)C(Nc1ccc(cc1)O)=O
+CC(C)(C)C(Nc1cccc(c1)Br)=O
+CC(C)(C)C(Nc1ccccc1B(O)O)=O
+CC(C)(C)C(OCCl)=O
+CC(C)(C)C(OCN1C=Nc2c(C1=O)c(cc(O)c2)OCCCl)=O
+CC(C)(C)C(OCN=[N+]=[N-])=O
+CC(C)(C)C(c1[nH]nc2cc(OC)ccc12)=O
+CC(C)(C)C(c1c(cc(Br)cc1)C)(O)c2cncnc2
+CC(C)(C)C1(COC(OC1)(C(C)C)C)COC
+CC(C)(C)C1(COC1)CO
+CC(C)(C)C1=CC(C=C(C(C)(C)C)C1=O)=O
+CC(C)(C)C1=CC(NO1)=O
+CC(C)(C)C1C(=C(C(N1Cc2cc(Cl)c(cc2)F)=O)C3=Nc4ccc([N+]([O-])=O)cc4S(=N3)(=O)C)O
+CC(C)(C)C1CCC(CC1)=O
+CC(C)(C)C1CCC(CC1)C(O)=O
+CC(C)(C)C1CCC(CC1)N
+CC(C)(C)C1CCC(CC1)Oc2c3ccc(cc3ccc2)I
+CC(C)(C)C1CCC(CC1)Oc2ccc3cc(Br)ccc3c2
+CC(C)(C)C1CCC(CC1)c2cccc(NC(=O)Cc3ccc(c(c3)OC)O)c2
+CC(C)(C)C1CCC2(CC1)CC(O)(C#N)CO2
+CC(C)(C)C1CCN(CC1)CCCN
+CC(C)(C)C1CCc2nc3c(cc2C1)cc(s3)C(O)=O
+CC(C)(C)C=1OC(c2cc(I)ccc2N=1)=O
+CC(C)(C)C=C
+CC(C)(C)C=O
+CC(C)(C)CC(=O)Nc1c(c(C)c2OCC(c3ccc(cc3)C4OCCO4)c2c1C)C
+CC(C)(C)CC(=O)Nc1c(c(c2c(c1C)C(c3cccc(c3)OC)CO2)C)C
+CC(C)(C)CC(C)(C)N
+CC(C)(C)CC(C)(C)c1c(cc2C(CC(Oc2c1)(COc3ccc(cc3)[N+]([O-])=O)C)=O)OC(C)=O
+CC(C)(C)CC(Cl)=O
+CC(C)(C)CC(c1ccc(cc1)Cl)=O
+CC(C)(C)CC1C(C(c2cccc(Cl)c2)C(C(=O)OC(C)(C)C)N1)(c3cnc(Cl)cc3)C#N
+CC(C)(C)CC1C2(c3c(cc(Cl)c(F)c3)NC2=O)C(C(C(=O)O)N1)c4c(F)c(ccc4)Cl
+CC(C)(C)CC1NC(C(=O)O)C(c2cc(cc(Cl)c2)F)C13c4ccc(cc4NC3=O)Cl
+CC(C)(C)CC=O
+CC(C)(C)CCBr
+CC(C)(C)CCC(=O)N1CCN(CC1)c2cc(C#N)ccn2
+CC(C)(C)CCC(C(OC)=O)N1CC(=CC1=O)Oc2c(cccc2)Cl
+CC(C)(C)CCCN
+CC(C)(C)CCN
+CC(C)(C)CCN1CCNCC1
+CC(C)(C)CCNC(Nc1c(ccc(-c2c(C)nc3cc(ncc3c2)Cl)c1)F)=O
+CC(C)(C)CCc1cc(-c2cc(ccc2F)OC)ccc1O
+CC(C)(C)CI
+CC(C)(C)CN
+CC(C)(C)CN1C(C(SC(c2cc(ccc12)Cl)c3c4c(ccc3)cccc4)CC(=O)O)=O
+CC(C)(C)CN1C(N(c2c1ccc(-c3cc(ccc3C)C(=O)OC)n2)C)=O
+CC(C)(C)CN1c2c(C(c3c(OC)c(ccc3)OC)OC(CC(=O)O)C1=O)cc(Cl)cc2
+CC(C)(C)CN1c2ccccc2CN(C(=O)c3ccncc3)C(CC(=O)NCc4c(F)cccc4)C1=O
+CC(C)(C)CNC
+CC(C)(C)CNC(=O)N
+CC(C)(C)CNc1c(cnc(C#N)n1)Br
+CC(C)(C)CO
+CC(C)(C)COC(=O)Cl
+CC(C)(C)C[Mg]Cl
+CC(C)(C)Cc1c[nH]cn1
+CC(C)(C)Cc1ccccc1
+CC(C)(C)Cc1coc2cc(OC)ccc12
+CC(C)(C)Cc1n(CC2CC2)c3ccc(C(=O)OC)cc3n1
+CC(C)(C)Cc1nc(C#N)cs1
+CC(C)(C)Cl
+CC(C)(C)Cn1c2nc(ncc2nc1C)Cl
+CC(C)(C)N
+CC(C)(C)N1C(=O)C(=C(c2ccccc2)S1(=O)=O)Cl
+CC(C)(C)N1C(=O)C(Cl)=C(C=N1)O
+CC(C)(C)N1C=C(C(c2cc(I)ccc12)=O)C(OCC)=O
+CC(C)(C)N1CC(C1)O
+CC(C)(C)N1CC(c2ccccc2)N(C3CCNCC3)C1=O
+CC(C)(C)N1N=CC(Cl)=C(C)C1=O
+CC(C)(C)N=C=O
+CC(C)(C)N=C=S
+CC(C)(C)NC
+CC(C)(C)NC(=O)CN1C(=Cc2ccc(cc2C1=O)OCc3ccc(cc3)OC)c4cc(c(cc4)F)OC
+CC(C)(C)NC(CN1C(C(Br)CC(c2ccccc2)c3ccccc13)=O)=O
+CC(C)(C)NN
+CC(C)(C)NS(=O)(=O)c1c(C)nc(NC(C)=O)s1
+CC(C)(C)NS(=O)(=O)c1c(I)cccc1OC
+CC(C)(C)NS(=O)(=O)c1c(cc(CC(C)C)s1)-c2cc(ccc2)CBr
+CC(C)(C)NS(=O)(=O)c1c(cc(CCCC)s1)B(O)O
+CC(C)(C)NS(=O)(=O)c1c(ccc([N+]([O-])=O)c1)S(=O)(=O)CC
+CC(C)(C)NS(=O)(=O)c1c2snc(c2ccc1)Cl
+CC(C)(C)NS(=O)(=O)c1cc(B(O)O)ccc1
+CC(C)(C)NS(=O)(=O)c1cc(C)ccc1OC
+CC(C)(C)NS(=O)(=O)c1cc(ccc1C(OC)=O)CC#N
+CC(C)(C)NS(=O)(=O)c1ccccc1-c2ccc(cc2)C
+CC(C)(C)NS(=O)(=O)c1ccccc1-c2ccc(cc2)N
+CC(C)(C)NS(=O)(=O)c1ccccc1B(O)O
+CC(C)(C)NS(=O)(=O)c1ccccc1[Se]C
+CC(C)(C)NS(=O)(=O)c1cn(S(=O)(=O)c2ccc(cc2)C)cc1
+CC(C)(C)Nc1ccc(Br)cc1N
+CC(C)(C)Nc1ncccc1-c2nnnn2-c3c(c(F)ccc3)F
+CC(C)(C)O
+CC(C)(C)OC(=N)C(Cl)(Cl)Cl
+CC(C)(C)OC(=O)C(C(C)C)N
+CC(C)(C)OC(=O)C(C(OC(C)(C)C)=O)c1cc(F)cc(F)c1[N+]([O-])=O
+CC(C)(C)OC(=O)C(C(c1c(cc(S(=O)(=O)C)cc1)Cl)=O)C(CC)=O
+CC(C)(C)OC(=O)C(C)(C)Br
+CC(C)(C)OC(=O)C(C)(C)Oc1cccc(C=CC(=O)OCC)c1
+CC(C)(C)OC(=O)C(C)(C)Sc1ccc(cc1)C(=O)OC
+CC(C)(C)OC(=O)C(C)N
+CC(C)(C)OC(=O)C(C)ON
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+CC(C)(C)OC(=O)NC1CCC(CC1)CCCCCBr
+CC(C)(C)OC(=O)NC1CCC(CC1)CNC(=O)OCc2ccccc2
+CC(C)(C)OC(=O)NC1CCC(CC1)N
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2c(c(C(=O)OC)ccc2)CC=C
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2c3n(ccn2)c(-c4ccnc(SC)n4)cn3
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2cc(Br)cc(C(OC)=O)c2C
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2nc3[nH]nc(-c4nc(ncc4)SC)c3cn2
+CC(C)(C)OC(=O)NC1CCC(CC1)Nc2ncnc3sc4CCC(c4c23)CCO
+CC(C)(C)OC(=O)NC1CCC(CC1)OCC(OCC)=O
+CC(C)(C)OC(=O)NC1CCC(CC1)n2ncc(c2)[N+]([O-])=O
+CC(C)(C)OC(=O)NC1CCCC1=O
+CC(C)(C)OC(=O)NC1CCCCC12CCCN(C2)Cc3ccc(cc3)F
+CC(C)(C)OC(=O)NC1CCCCC1CN2CC(C2)Oc3ccc(cc3)Cl
+CC(C)(C)OC(=O)NC1CCCCC1CO
+CC(C)(C)OC(=O)NC1CCCN(c2ccc(Nc3c(C(C)=O)cnc4c3nc(cc4)Cl)cn2)C1
+CC(C)(C)OC(=O)NC1CCN(C(=O)CNC(=O)OCc2ccccc2)C1C
+CC(C)(C)OC(=O)NC1CCN(C1)c2nc(-c3c(cccc3)O)nc4c2ccc(c4)C
+CC(C)(C)OC(=O)NC1CCN(C2CCN(CC2)C(=O)OCc3ccccc3)C1=O
+CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C(F)(F)Cc2ccccc2
+CC(C)(C)OC(=O)NC1CCN(CC1)C2CCOCC2
+CC(C)(C)OC(=O)NC1CCN(CC1)CCN2C(=O)C=Nc3ccc(cc23)OC
+CC(C)(C)OC(=O)NC1CCN(CC1)c2nnc(c3ccccc23)Cl
+CC(C)(C)OC(=O)NC1CCNCC1
+CC(C)(C)OC(=O)NC1CCc2c1cccc2C#N
+CC(C)(C)OC(=O)NC1CN(CC1)C(OCc2ccccc2)=O
+CC(C)(C)OC(=O)NC1CN(CCC1)c2n(Cc3c(Cl)cccc3)c4c(c2)N(C(=O)N(C)C4=O)C
+CC(C)(C)OC(=O)NC1CN(c2cc(ccc2)OCc3ccccc3)CCC1
+CC(C)(C)OC(=O)NC1CNCC12CC2
+CC(C)(C)OC(=O)NC1COC(=O)C(CC(=O)O)C(OC(=O)C(C)C)C(OC1=O)C
+CC(C)(C)OC(=O)NC1COC(CC1)CC(=O)OC
+CC(C)(C)OC(=O)NC1CSCC(Cc2cc(F)c(c(F)c2)[N+]([O-])=O)C1=O
+CC(C)(C)OC(=O)NCC#Cc1c(NCCCCC)nc(nc1C)N
+CC(C)(C)OC(=O)NCC(C)(C)CO
+CC(C)(C)OC(=O)NCC(C)(C)COS(=O)(=O)C
+CC(C)(C)OC(=O)NCC(C)(C)c1[nH]c(c(n1)-c2ccc(Cl)c(OC)c2)-c3ccncc3
+CC(C)(C)OC(=O)NCC(N1CCC(CC1)(C(OC)=O)CO)=O
+CC(C)(C)OC(=O)NCC(NC(=O)OCc1ccccc1)CO
+CC(C)(C)OC(=O)NCC(c1ccc(C(OC)=O)cn1)=O
+CC(C)(C)OC(=O)NCC1OC1
+CC(C)(C)OC(=O)NCC1c2cccc(Oc3ncc(cc3)C#N)c2CCC1
+CC(C)(C)OC(=O)NCCC#C
+CC(C)(C)OC(=O)NCCC(N1C(=O)c2ccccc2C1=O)c3cccc(Cl)c3
+CC(C)(C)OC(=O)NCCC(O)=O
+CC(C)(C)OC(=O)NCCC1CC=CCN1Cc2ccc(Cl)c(Cl)c2
+CC(C)(C)OC(=O)NCCC1CCN(CC1)c2ncnc3cc(C(N)=O)sc23
+CC(C)(C)OC(=O)NCCC1CCNCC1
+CC(C)(C)OC(=O)NCCCBr
+CC(C)(C)OC(=O)NCCCCBr
+CC(C)(C)OC(=O)NCCCCC1CNC1
+CC(C)(C)OC(=O)NCCCCCC(O)=O
+CC(C)(C)OC(=O)NCCCCCCBr
+CC(C)(C)OC(=O)NCCCCCCN
+CC(C)(C)OC(=O)NCCCCCO
+CC(C)(C)OC(=O)NCCCCN
+CC(C)(C)OC(=O)NCCCCc1ccc(cc1)N
+CC(C)(C)OC(=O)NCCCCc1ccc(cc1)O
+CC(C)(C)OC(=O)NCCCCl
+CC(C)(C)OC(=O)NCCCN
+CC(C)(C)OC(=O)NCCCNc1cc(ccc1[N+](=O)[O-])C(=O)OC
+CC(C)(C)OC(=O)NCCCOCCOCCOCCCN
+CC(C)(C)OC(=O)NCCN(C)C(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O
+CC(C)(C)OC(=O)NCCN1C2CCC1CC(c3cc4c(cccc4)cc3)=C2
+CC(C)(C)OC(=O)NCCN1NC(=O)C=C1C(=O)OCC
+CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ncccc1
+CC(C)(C)OC(=O)NCCO
+CC(C)(C)OC(=O)NCCOCCI
+CC(C)(C)OC(=O)NCCS
+CC(C)(C)OC(=O)NCCc1ccc(cc1)Br
+CC(C)(C)OC(=O)NCCc1ccc(cc1)O
+CC(C)(C)OC(=O)NCCc1ccc(cc1)Oc2ccc(cc2)F
+CC(C)(C)OC(=O)NCCc1ncc(Cl)cc1Cl
+CC(C)(C)OC(=O)NCc1c(cc(Nc2ccc(cc2C(F)(F)F)OC)cn1)F
+CC(C)(C)OC(=O)NCc1c2cc(c(cc2c(CC(OCC)=O)cn1)OC)OC
+CC(C)(C)OC(=O)NCc1cc2c(cc1)n(CCC(C)C)c(CCl)n2
+CC(C)(C)OC(=O)NCc1ccc(cc1)B(O)O
+CC(C)(C)OC(=O)NCc1ccc(cc1)Br
+CC(C)(C)OC(=O)NCc1ccc(cc1)CN
+CC(C)(C)OC(=O)NCc1ccc(cc1)N
+CC(C)(C)OC(=O)NCc1cccc([N+]([O-])=O)c1C(=O)OC
+CC(C)(C)OC(=O)NCc1cnc(cc1)CO
+CC(C)(C)OC(=O)NCc1nc(C(F)(F)F)c(s1)C(OCC)=O
+CC(C)(C)OC(=O)NCc1nc(cs1)C(=O)NCCc2cccc(Cl)c2
+CC(C)(C)OC(=O)NN(C1CCCC1)c2c(Br)cnc(Cl)n2
+CC(C)(C)OC(=O)NN1C(CNCC1)=O
+CC(C)(C)OC(=O)NNC(=O)c1c(OCC)cc(cc1)[N+]([O-])=O
+CC(C)(C)OC(=O)NNC(c1ccc(cc1)-c2c(ccc(c2)C(=O)NC3CC3)C)=O
+CC(C)(C)OC(=O)NNc1cc(Cl)c(F)cc1
+CC(C)(C)OC(=O)Nc1c(Br)cn(n1)C
+CC(C)(C)OC(=O)Nc1c(C(C(N2Cc3c(cccc3)C2)=O)=O)cc(cc1)C4(CCC4)C(=O)OCC
+CC(C)(C)OC(=O)Nc1c(Cl)nc(c(-c2ncncc2)c1)-c3occc3
+CC(C)(C)OC(=O)Nc1c(N)cc(I)cc1
+CC(C)(C)OC(=O)Nc1c(Nc2nc(NC3CCC(c4ccccc34)=O)c([N+]([O-])=O)cn2)cc(cc1)F
+CC(C)(C)OC(=O)Nc1c(cc(OC)nc1)I
+CC(C)(C)OC(=O)Nc1c(cc(cc1)OC)OCCCBr
+CC(C)(C)OC(=O)Nc1c(cc(cc1CC)-c2ccc(cc2)Cl)CC
+CC(C)(C)OC(=O)Nc1c(nccc1C)OC
+CC(C)(C)OC(=O)Nc1c(noc1)-c2ccc(cc2)OCc3ccc(cc3)OC
+CC(C)(C)OC(=O)Nc1c(scc1)C(=O)O
+CC(C)(C)OC(=O)Nc1c2OCCCc2ccc1F
+CC(C)(C)OC(=O)Nc1cc(C)c(c(C)n1)CN
+CC(C)(C)OC(=O)Nc1cc(CCC(OC)=O)ccn1
+CC(C)(C)OC(=O)Nc1cc(F)c(c(c1F)C(=O)c2ccc3c(c2)nc(cn3)Cl)F
+CC(C)(C)OC(=O)Nc1cc(F)c(cc1C(=O)NCC(=O)NCC2CCNCC2)F
+CC(C)(C)OC(=O)Nc1cc(Nc2nc(Nc3cc(c(OCCOC)cc3)O)ncc2F)ccc1
+CC(C)(C)OC(=O)Nc1cc(Oc2cn3nc(nc3cc2)N)ccc1Cl
+CC(C)(C)OC(=O)Nc1cc([N+]([O-])=O)c(C)cc1
+CC(C)(C)OC(=O)Nc1cc(cc(I)c1)N
+CC(C)(C)OC(=O)Nc1cc(cc([N+]([O-])=O)c1)N
+CC(C)(C)OC(=O)Nc1cc(ccc1)Nc2nc(SC)ncc2C(OCC)=O
+CC(C)(C)OC(=O)Nc1cc(sc1C(OC)=O)Br
+CC(C)(C)OC(=O)Nc1cc2nc(Cl)nc(N3CCOCC3)c2s1
+CC(C)(C)OC(=O)Nc1ccc(c(Br)c1)C
+CC(C)(C)OC(=O)Nc1ccc(c(CO)c1)Cl
+CC(C)(C)OC(=O)Nc1ccc(cc1)-c2scc(C(=O)O)n2
+CC(C)(C)OC(=O)Nc1ccc(cc1)-n2c(CCC=C)c(nn2)C(=O)NC3CC3
+CC(C)(C)OC(=O)Nc1ccc(cc1)B(O)O
+CC(C)(C)OC(=O)Nc1ccc(cc1)C(O)=O
+CC(C)(C)OC(=O)Nc1ccc(cc1)C2(C)CC(N(Cc3ccccc3)C2=O)=O
+CC(C)(C)OC(=O)Nc1ccc(cc1)CC(O)=O
+CC(C)(C)OC(=O)Nc1ccc(cc1)N
+CC(C)(C)OC(=O)Nc1ccc(cc1)O
+CC(C)(C)OC(=O)Nc1ccc(cc1Br)C(=O)N(OC)C
+CC(C)(C)OC(=O)Nc1ccc(nc1)C(F)(F)Cl
+CC(C)(C)OC(=O)Nc1ccc2c(c1)[nH]c3c2cc(Br)cc3C(N)=O
+CC(C)(C)OC(=O)Nc1ccc2n(c1)nc(N3CCOCC3)n2
+CC(C)(C)OC(=O)Nc1cccc(Br)c1
+CC(C)(C)OC(=O)Nc1cccc(N)c1
+CC(C)(C)OC(=O)Nc1cccc(OC=2C(=C(N(C(C=2)=O)C)Nc3c(cc(I)cc3)F)C(=O)NCc4ccc(cc4)OC)c1C
+CC(C)(C)OC(=O)Nc1cccc(n1)I
+CC(C)(C)OC(=O)Nc1ccccc1B(O)O
+CC(C)(C)OC(=O)Nc1ccccc1C(N(C)OC)=O
+CC(C)(C)OC(=O)Nc1cccnc1Cl
+CC(C)(C)OC(=O)Nc1cnc(N2CCc3c([nH]nc3C(OCC)=O)C2)cc1
+CC(C)(C)OC(=O)Nc1nc(-c2cc3cc[nH]c3cc2)ns1
+CC(C)(C)OC(=O)Nc1nc(CO)ccc1
+CC(C)(C)OC(=O)Nc1ncc(C#N)cc1
+CC(C)(C)OC(=O)Nc1ncc(cn1)B(O)O
+CC(C)(C)OC(=O)Nc1nccc(CC(OCC)=O)c1
+CC(C)(C)OC(=O)Nc1nccc(CC(c2ccc(cc2)OC)=O)c1
+CC(C)(C)OC(=O)Nc1nccc(Cl)c1
+CC(C)(C)OC(=O)Nc1ncccc1C
+CC(C)(C)OC(=O)Nc1ncsc1
+CC(C)(C)OC(=O)Nc1oc2c(ncc(CC)c2)c1C(=O)OCC
+CC(C)(C)OC(=O)Nc1sc(C(c2ncccc2)=O)c(-c3ccco3)n1
+CC(C)(C)OC(=O)Nc1sc(C=O)c(-c2ccco2)n1
+CC(C)(C)OC(=O)Nc1sc(nc1C(Nc2c(n(nc2)C)C3CCC(CC3)=O)=O)-c4c(F)cccc4F
+CC(C)(C)OC(=O)Nc1sc(nc1C(OCC)=O)-c2ccccc2
+CC(C)(C)OC(=O)Nc1scc(n1)CNC
+CC(C)(C)OC(=O)Nn1cccc1
+CC(C)(C)OC(=O)OC(=O)O
+CC(C)(C)OC(=O)OC(=O)OC(C)(C)C
+CC(C)(C)OC(=O)ON=C(c1ccccc1)C#N
+CC(C)(C)OC(=O)Oc1ccccc1
+CC(C)(C)OC(=O)c1[nH]c(C(OCC)=O)nc1
+CC(C)(C)OC(=O)c1c(C)cc(C#N)cn1
+CC(C)(C)OC(=O)c1c(C)nc(CC(C)(C)C)c(C#N)c1-c2ccc(cc2)C
+CC(C)(C)OC(=O)c1c(c(c2cccnn12)C(=O)OCC)C
+CC(C)(C)OC(=O)c1cc(F)c(c(c1)-c2ccc(C(NCC(C)(C)C)=O)cc2C(OC)=O)C
+CC(C)(C)OC(=O)c1cc2c(cc1)c(c3-c4ccc(cc4C=C(Cn23)C(OC)=O)OC)C5CCCCC5
+CC(C)(C)OC(=O)c1cc2ccn(-c3c(cc(cc3)CC(=O)OC)C#N)c2cc1
+CC(C)(C)OC(=O)c1ccc(Cl)nc1Cl
+CC(C)(C)OC(=O)c1ccc(N2S(=O)(=O)COCC2)cc1Cl
+CC(C)(C)OC(=O)c1ccc(NC2CCN(CC2)C(=O)OC(C)(C)C)c(c1)[N+](=O)[O-]
+CC(C)(C)OC(=O)c1ccc(cc1)C#CC#N
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(=O)OC)CN
+CC(C)(C)OC(=O)c1ccc(cc1)C(C(OC)=O)CNC(=O)NC
+CC(C)(C)OC(=O)c1ccc(cc1)CCN2C(C(Cl)=CC(Cl)=C2C)=O
+CC(C)(C)OC(=O)c1ccc(cc1)CN2C(=O)c3ccc(C(=O)OC)cc3C(c4ccccc4)=C2C(=O)OC
+CC(C)(C)OC(=O)c1ccc2C(N)CCc2c1C
+CC(C)(C)OC(=O)c1ccc2n(c(C(=O)c3ccc(c(C(=O)OC)c3)[N+](=O)[O-])nc2)c1
+CC(C)(C)OC(=O)c1cccc(n1)Br
+CC(C)(C)OC(=O)c1ccccc1-c2ccc(cc2)C
+CC(C)(C)OC(=O)c1ccccc1N2CN(C3(CCN(CC3)C(OCc4ccccc4)=O)C2=O)c5ccccc5
+CC(C)(C)OC(=O)c1cn(CC(C#C)F)nn1
+CC(C)(C)OC(=O)c1nccc(c1)Cl
+CC(C)(C)OC(=O)n1c(B(O)O)ccc1
+CC(C)(C)OC(=O)n1c(cc2ccccc12)-c3cc(c(cc3)Cl)NS(=O)(=O)c4ccccc4
+CC(C)(C)OC(=O)n1c2c(c(C(C)(C)C#N)c1)cccc2
+CC(C)(C)OC(=O)n1c2c(c3c1ccc(c3Cl)Cl)CCCC2=O
+CC(C)(C)OC(=O)n1c2c(cc1B(O)O)cccc2Cl
+CC(C)(C)OC(=O)n1c2c(cn1)cc(N)cc2
+CC(C)(C)OC(=O)n1cc(nc1N)CCCCCC#C
+CC(C)(C)OC(=O)n1ccc2c(N)ccnc12
+CC(C)(C)OC(=O)n1cnc2c1c(F)cc(c2C)[N+](=O)[O-]
+CC(C)(C)OC(C#C)=O
+CC(C)(C)OC(C(=NO)C(=O)C)=O
+CC(C)(C)OC(C(Br)C)=O
+CC(C)(C)OC(C(C(=O)C1CC1)C(=O)c2ccc(cc2S(=O)(=O)C)Cl)=O
+CC(C)(C)OC(C(C(OC)=O)CN)=O
+CC(C)(C)OC(C(C)(C)Cc1ccc(cc1)Br)=O
+CC(C)(C)OC(C(C)(C)Oc1ccc(cc1)C(=O)OC)=O
+CC(C)(C)OC(C(C)(C)Sc1nc(CCN2C(c3c(C2=O)cccc3)=O)cs1)=O
+CC(C)(C)OC(C(C)(C)Sc1nc(cs1)CC(=O)OCC)=O
+CC(C)(C)OC(C(C)(C)Sc1nc(cs1)CCOc2ccc(-c3ccc(cc3)F)cc2C(OC)=O)=O
+CC(C)(C)OC(C(C)NC(N(CCC1CCCCC1)CCO)=O)=O
+CC(C)(C)OC(C(C1(CCN(C1=O)CCc2ccccc2)CC(C)C)CN=[N+]=[N-])=O
+CC(C)(C)OC(C(C1CCCC1)c2ccc(cc2)CBr)=O
+CC(C)(C)OC(C(CC(=O)c1ccccc1[N+]([O-])=O)C(=O)C)=O
+CC(C)(C)OC(C(Cc1cnc(cc1)Br)N)=O
+CC(C)(C)OC(C(N)CC(C)C)=O
+CC(C)(C)OC(C(N)CCCN1C(c2c(cccc2)C1=O)=O)=O
+CC(C)(C)OC(C(O)C1C(=O)NCCO1)=O
+CC(C)(C)OC(C(OCC)=O)c1c(C)nc2n(nc(NC(OCC[Si](C)(C)C)=O)c2)c1-c3c(C)c4CCCOc4c(c3)F
+CC(C)(C)OC(C(P(OCC)(OCC)=O)CCCCl)=O
+CC(C)(C)OC(C(c1ccc(cc1)COC(C)=O)C2CCCC2)=O
+CC(C)(C)OC(C)=O
+CC(C)(C)OC(C)C1N(C(=O)OC1)c2nc(Cl)ncc2
+CC(C)(C)OC(C)C1N(c2ccnc(F)n2)C(=O)OC1
+CC(C)(C)OC(C1(CC1)CCN2CCN(CC2)c3c4c(sc3)cc(C(F)(F)F)cc4)=O
+CC(C)(C)OC(C1=C(c2c([nH]cc2)C(=O)N1C)c3ccc(cc3)C)C(O)=O
+CC(C)(C)OC(C1C(C(O)=O)NCC2(CC2)C1)=O
+CC(C)(C)OC(C1C(CC)CC(C(OC)=O)C1)=O
+CC(C)(C)OC(C1C(c2cc(ccc2)C(=O)OC)C1)=O
+CC(C)(C)OC(C1CCCN2C(CCC(N3C(=O)c4c(C3=O)cccc4)C(=O)N12)=O)=O
+CC(C)(C)OC(C1CCN(CC1)c2c(cncc2F)NC(c3c4n(cc(F)cn4)nc3N)=O)=O
+CC(C)(C)OC(C1CCc2c(cc(OC)cc2)NC1=O)=O
+CC(C)(C)OC(C1CN(C1)Cc2ccc(cc2)C(=NO)N)=O
+CC(C)(C)OC(C1COC(=O)N1)C
+CC(C)(C)OC(C1N(CCC1)c2ccc(c(c2C)COc3c4nc(C)ccc4ccc3)C)=O
+CC(C)(C)OC(C1N(CCC1N=[N+]=[N-])C(=O)OC(C)(C)C)=O
+CC(C)(C)OC(C=1N(C)C(=O)c2ccccc2C=1c3ccc(C)c(c3)C)C(=O)OC
+CC(C)(C)OC(C=1N2C(C(C2S(=O)CC=1C)NC=O)=O)=O
+CC(C)(C)OC(C=C1CCC(CC1)C(=O)OCC)=O
+CC(C)(C)OC(C=Cc1ccc(cn1)C=O)=O
+CC(C)(C)OC(C=Cc1ccncc1)=O
+CC(C)(C)OC(CC(C(=O)NC1C(=O)NCCCCCCn2cc(c3c2cccc3)C1)CC(C)C)=O
+CC(C)(C)OC(CC(C(OCc1ccccc1)=O)Cc2ccccc2)=O
+CC(C)(C)OC(CC(CCCc1ccccc1)C(O)=O)=O
+CC(C)(C)OC(CC(N)C(O)=O)=O
+CC(C)(C)OC(CC(N)CC(C)C)=O
+CC(C)(C)OC(CC(NC(OCC1c2c(-c3ccccc13)cccc2)=O)C(=O)O)=O
+CC(C)(C)OC(CC(c1ccccc1)N)=O
+CC(C)(C)OC(CC(c1noc(-c2cnc(s2)CC(C)C)c1C3CC3)CCCOCc4ccccc4)=O
+CC(C)(C)OC(CC(c1onc(n1)C(N2CC(C2)C(OC)=O)=O)CCCC3CCCCC3)=O
+CC(C)(C)OC(CC1C(=O)NC=CN1S(=O)(=O)c2ccc(cc2)C)=O
+CC(C)(C)OC(CC1CCn2c3c(cc(cc3)O)cc12)=O
+CC(C)(C)OC(CCC(=O)O)=O
+CC(C)(C)OC(CCC(C(O)=O)NC(=O)OCc1ccccc1)=O
+CC(C)(C)OC(CCC(c1ccc(cc1)F)=O)=O
+CC(C)(C)OC(CCC12CC(F)(F)C(C(C1C(OC2=O)C)C=Cc3ncc(Br)cc3)C)=O
+CC(C)(C)OC(CCOCCOCCOCCOCC=CCBr)=O
+CC(C)(C)OC(CCSCc1cccc(C(=O)O)c1)=O
+CC(C)(C)OC(CCc1[nH]c(cc1)C(OC)=O)=O
+CC(C)(C)OC(CCc1c(cc(C(O)=O)cc1C)CC)=O
+CC(C)(C)OC(CCc1cc(S(=O)(=O)C)cc(C#N)n1)=O
+CC(C)(C)OC(CCc1ccc(cc1C)C(OC)=O)=O
+CC(C)(C)OC(CN(c1cc2c(cc1)n(c3c2cccc3)CC)S(=O)(=O)c4cc(cc(OS(=O)(=O)C(F)(F)F)c4)Cl)=O
+CC(C)(C)OC(CN1C(=CC=C(NC(=O)OCc2ccccc2)C1=O)C)=O
+CC(C)(C)OC(CN1C(=O)Nc2ccccc12)=O
+CC(C)(C)OC(CN1C(CN(C(=O)NCc2c(cc(cc2)C(N3c4c(cccc4)CCCC3)=O)C)c5c1cccc5F)=O)=O
+CC(C)(C)OC(CN1C=CC=C(C1=O)NC(=O)OCc2ccccc2)=O
+CC(C)(C)OC(CNC)=O
+CC(C)(C)OC(CNC1CCCC1)=O
+CC(C)(C)OC(CNCc1c(C)cccc1)=O
+CC(C)(C)OC(CNc1ccc(NS(=O)(=O)c2ccc(cc2)F)cc1N)=O
+CC(C)(C)OC(COCCOCCOCCOCCO)=O
+CC(C)(C)OC(COc1c(OC)cc(C=CC(=O)OC)cc1)=O
+CC(C)(C)OC(COc1c2CCCC(N)c2ccc1)=O
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+CC(C)(C)OC(COc1ccc(cc1)CCOc2c(cccc2)C(OC)=O)=O
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+CC(C)(C)OC(Cc1cc(F)c(c(c1)F)[N+](=O)[O-])=O
+CC(C)(C)OC(Cc1ccc2c(cc(O)cn2)c1)=O
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+CC(C)(C)OC(N(C1CNCC1c2ccc(cc2)Cl)C)=O
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+CC(C)(C)OC(N1C(CO[Si](C)(C)C(C)(C)C)C(=CC(N(OCC=C)S(=O)(=O)c2c(cccc2)[N+]([O-])=O)C1)C)=O
+CC(C)(C)OC(N1C(CO[Si](C)(C)C(C)(C)C)C=C(C(N(C)C)=O)C(N(OCC=C)S(=O)(=O)c2c(cccc2)[N+](=O)[O-])C1)=O
+CC(C)(C)OC(N1C(Cc2c(cccc2)C1)C(=O)O)=O
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+CC(C)(C)OC(N1C(c2ccc(C(=O)OC)c(F)c2)CCC1)=O
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+CC(C)(C)OC(N1C2(CCNCC2)CCCC1)=O
+CC(C)(C)OC(N1C2(CNC2)CC1)=O
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+CC(C)(C)OC(N1C2CC2CC1c3cc(on3)-c4cc(Cl)sc4)=O
+CC(C)(C)OC(N1C2CCC1CN(C2)Cc3ccccc3)=O
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+CC(C)(C)OC(N1CC(C(=O)OC)(CCC1)Cc2c(F)cccc2)=O
+CC(C)(C)OC(N1CC(C(C1)C(O)=O)C(N(C)OC)=O)=O
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+CC(C)(C)OC(N1CC(C(CC1)c2ccc(cc2)Cl)C(=O)OC)=O
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+CC(C)(C)OC(N1CC(C)(C)NCC1(C)CC)=O
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+CC(C)(C)OC(N1CC(C1)CC(=O)O)=O
+CC(C)(C)OC(N1CC(C1)I)=O
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+CC(C)(C)OC(N1CC(C1)Oc2cc3c(cc2)OCC(=O)N3C(C)C(OCC)=O)=O
+CC(C)(C)OC(N1CC(C1)c2cc3OCCc4sc(-c5ncnn5C(C)C)nc4-c3cc2)=O
+CC(C)(C)OC(N1CC(C1)c2ccc(c(c2)F)N)=O
+CC(C)(C)OC(N1CC(C1)n2c(c(nc2)-c3ccc(cc3)F)-c4ccnc(n4)N)=O
+CC(C)(C)OC(N1CC(C1)n2cc(c3c2nccc3Br)I)=O
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+CC(C)(C)OC(N1CC(CC(C(OCC)=O)C1)N2C(c3c(-c4c(Cl)cccc24)noc3C)=O)=O
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+CC(C)(C)OC(N1CC(CC1C(=O)O)c2ccccc2)=O
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+CC(C)(C)OC(N1CC(CO)c2ccc(cc12)[N+](=O)[O-])=O
+CC(C)(C)OC(N1CC(COC(c2ccccc2)=O)C(C1)O[Si](C)(C)C(C)(C)C)=O
+CC(C)(C)OC(N1CC(COS(=O)(=O)C)CC1)=O
+CC(C)(C)OC(N1CC(F)(F)C(CN)CC1)=O
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+CC(C)(C)OC(N1CC(N(CC1)C(C=Cc2cccc(c2)Cl)=O)C(O)=O)=O
+CC(C)(C)OC(N1CC(N)CCC1)=O
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+CC(C)(C)OC(N1CC(NCC1)C(OC)=O)=O
+CC(C)(C)OC(N1CC(O)C(CC1)N=[N+]=[N-])=O
+CC(C)(C)OC(N1CC(O)CC(C(O)=O)C1)=O
+CC(C)(C)OC(N1CC(OCC1)Cn2ncc([N+](=O)[O-])c2)=O
+CC(C)(C)OC(N1CC(S(=O)(=O)c2c(cccc2)Cl)CC1C(=O)OC)=O
+CC(C)(C)OC(N1CC(c2ccc(cc2)F)C(C1)O)=O
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+CC(C)(C)OC(N1CC2(C1)CC(c3c(ccc(C=CC(=O)OC)c3)O2)=O)=O
+CC(C)(C)OC(N1CC2(C1)c3c(cc(nc3)C(OCC)=O)CO2)=O
+CC(C)(C)OC(N1CC2(CC(C2)N)C1)=O
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+CC(C)(C)OC(N1CC2(CCCC2)C(N)C1)=O
+CC(C)(C)OC(N1CC2(CCNCC2)C1)=O
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+CC(C)(C)OC(N1CC2CC(CC(C1)N2Cc3ccccc3)=O)=O
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+CC(C)(C)OC(N1CC2COCC(=O)N2CC1)=O
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+CC(C)(C)OC(N1CC=C(CC1)c2ccc3OCC=4N(C(C(=O)NN=4)C)c3c2)=O
+CC(C)(C)OC(N1CC=C(CC1)c2sc(nn2)Br)=O
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+CC(C)(C)OC(N1CCC(C(F)C1)NCc2ccccc2)=O
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+CC(C)(C)OC(N1CCC(C1)CC(=O)O)=O
+CC(C)(C)OC(N1CCC(C1)Oc2c(C(F)(F)F)cccc2)=O
+CC(C)(C)OC(N1CCC(C1)c2n3cc(ccc3nn2)F)=O
+CC(C)(C)OC(N1CCC(C1C(O)=O)O)=O
+CC(C)(C)OC(N1CCC(CC1)(C(=O)OC)c2c3ccc(F)cc3ncn2)=O
+CC(C)(C)OC(N1CCC(CC1)(C=O)C)=O
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+CC(C)(C)OC(N1CCC(CC1)(O)c2nc(-c3ccc(F)c(c3)C)c[nH]2)=O
+CC(C)(C)OC(N1CCC(CC1)(c2cc(n(n2)C(C)(C)C)NC(C(C)NC(OCc3ccccc3)=O)=O)c4ccccc4)=O
+CC(C)(C)OC(N1CCC(CC1)(c2ccc(cc2)SC)C=O)=O
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+CC(C)(C)OC(N1CCC(CC1)C=Cc2oc3ccc(cc3c2)SC)=O
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+CC(C)(C)OC(N1CCC(CC1)CC(=O)O)=O
+CC(C)(C)OC(N1CCC(CC1)CC(NC(=O)C2CCCCC2NC(c3n(C)c4ccccc4c3)=O)C#N)=O
+CC(C)(C)OC(N1CCC(CC1)CC=O)=O
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+CC(C)(C)OC(N1CCC(CC1)CI)=O
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+CC(C)(C)OC(N1CCC(CC1)COc2c3ccccc3nc(c2)C)=O
+CC(C)(C)OC(N1CCC(CC1)N(C(=O)C(F)(F)F)C2CC2)=O
+CC(C)(C)OC(N1CCC(CC1)N)=O
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+CC(C)(C)OC(N1CCC(CC1)N2CCNCC2)=O
+CC(C)(C)OC(N1CCC(CC1)N=C=S)=O
+CC(C)(C)OC(N1CCC(CC1)NC2C(OCc3ccccc3)CCCC2)=O
+CC(C)(C)OC(N1CCC(CC1)NC2CC2)=O
+CC(C)(C)OC(N1CCC(CC1)NC2CCC(CC2)C)=O
+CC(C)(C)OC(N1CCC(CC1)NC2CCCCC2)=O
+CC(C)(C)OC(N1CCC(CC1)Nc2c(C)c(cc(Cl)c2)C(=O)OC)=O
+CC(C)(C)OC(N1CCC(CC1)Nc2c3ccnc(c3ccc2)Cl)=O
+CC(C)(C)OC(N1CCC(CC1)Nc2ccccc2CO)=O
+CC(C)(C)OC(N1CCC(CC1)Nc2nc(nc(N3CCOCC3)c2[N+](=O)[O-])Cl)=O
+CC(C)(C)OC(N1CCC(CC1)Nc2nccc(C(=O)OC)c2)=O
+CC(C)(C)OC(N1CCC(CC1)Nc2nnc(-c3c(NC(C)C)cc(nc3)Cl)o2)=O
+CC(C)(C)OC(N1CCC(CC1)Nc2oc3c(n2)cc(O)cc3)=O
+CC(C)(C)OC(N1CCC(CC1)Nc2oc3cccc(c3n2)[N+](=O)[O-])=O
+CC(C)(C)OC(N1CCC(CC1)Oc2ccc(cc2)OC(F)(F)F)=O
+CC(C)(C)OC(N1CCC(CC1)S)=O
+CC(C)(C)OC(N1CCC(CC1)c2c(C#N)c(nc(S)c2C#N)N)=O
+CC(C)(C)OC(N1CCC(CC1)c2ccc(cn2)N)=O
+CC(C)(C)OC(N1CCC(CC1)c2scc(C#C)n2)=O
+CC(C)(C)OC(N1CCC(N(C(C(F)(F)F)=O)Cc2ccnc3ccccc23)CC1Cc4ccccc4)=O
+CC(C)(C)OC(N1CCC(N=[N+]=[N-])CC1C(=O)OC)=O
+CC(C)(C)OC(N1CCC(NC(COCCOCc2ccccc2)=O)C1)=O
+CC(C)(C)OC(N1CCC(NC(OCc2ccccc2)=O)C(C1)N)=O
+CC(C)(C)OC(N1CCC(Nc2cccc3cnccc23)C1)=O
+CC(C)(C)OC(N1CCC(c2ccc(cc2)N)C1)=O
+CC(C)(C)OC(N1CCC(c2ccc(cc2)O)C(O)C1)=O
+CC(C)(C)OC(N1CCC(c2ccc(cc2)OCc3ccccc3)C(F)(F)C1)=O
+CC(C)(C)OC(N1CCC1COc2cc(c(nc2)Cl)Br)=O
+CC(C)(C)OC(N1CCC2(CC(=O)c3cc(ccc3O2)Br)CCC1)=O
+CC(C)(C)OC(N1CCC2(CC1)C(=O)NCC2)=O
+CC(C)(C)OC(N1CCC2(CC1)CC(C(C(OCC)=O)C)c3c2c(ccc3)Br)=O
+CC(C)(C)OC(N1CCC2(CC1)CC=C(C(OC)=O)c3c2cccc3)=O
+CC(C)(C)OC(N1CCC2(CC1)CCCNC2=O)=O
+CC(C)(C)OC(N1CCC2(CC1)CNCC2)=O
+CC(C)(C)OC(N1CCC2(CC1)N(C(C=CC2)=O)Cc3cccc4c3ccn4S(=O)(=O)c5ccc(cc5)C)=O
+CC(C)(C)OC(N1CCC2(CC1)NC(C(Cc3ccccc3)N2)=O)=O
+CC(C)(C)OC(N1CCC2(CC1)OCC(F)(F)c3c2sc(Cl)c3)=O
+CC(C)(C)OC(N1CCC2(CC1)Oc3cc(ccc3-n4c2ccc4C#N)C)=O
+CC(C)(C)OC(N1CCC2(CCC(CC2)C(OC)=O)CC1)=O
+CC(C)(C)OC(N1CCC2(CCC(CC2)OCC=O)CC1)=O
+CC(C)(C)OC(N1CCC2C1C(CN2C3CCCC3)c4c5ccc(cc5[nH]c4)F)=O
+CC(C)(C)OC(N1CCC2C1CNC2)=O
+CC(C)(C)OC(N1CCC2N3c4c(cc(Br)cc4C2C1)CCC3)=O
+CC(C)(C)OC(N1CCC2NCC12)=O
+CC(C)(C)OC(N1CCC=2C(C1)(C(=O)c3ncccc3)Cc4c(C=2)n(nc4)-c5ccc(cc5)F)=O
+CC(C)(C)OC(N1CCCC(C1)Cn2c3nc(ncc3cc2-c4c(Cl)cccc4Cl)Cl)=O
+CC(C)(C)OC(N1CCCC(C1)c2cc(ccc2)OC(C)(C)C(OCc3ccccc3)=O)=O
+CC(C)(C)OC(N1CCCC(C1)c2nc3n(c(nc4c5c(OC(F)(F)O5)ccc34)NCc6ccc(OC)cc6OC)n2)=O
+CC(C)(C)OC(N1CCCC(CN2CCN(CC2)C(=O)OCc3ccccc3)C1)=O
+CC(C)(C)OC(N1CCCC(CNC(OCc2ccccc2)=O)C1)=O
+CC(C)(C)OC(N1CCCC(Nc2nc(nc(OC)c2)S(=O)(=O)C)C1)=O
+CC(C)(C)OC(N1CCCC(c2cc(-c3c(cccc3O)OCc4ccccc4)nc(N)n2)C1)=O
+CC(C)(C)OC(N1CCCC(c2cc(ccc12)Br)=O)=O
+CC(C)(C)OC(N1CCCC1(C(=O)NCC(CC(C)(C)CC)O)Cc2ccc(cc2)Br)=O
+CC(C)(C)OC(N1CCCC12CNCC2)=O
+CC(C)(C)OC(N1CCCC1C#C)=O
+CC(C)(C)OC(N1CCCC1COc2ccc(cc2)OCc3ccccc3)=O
+CC(C)(C)OC(N1CCCC1c2sc(cc2)C(OC)=O)=O
+CC(C)(C)OC(N1CCCCC1c2noc(c2)-c3cccc(Cl)c3)=O
+CC(C)(C)OC(N1CCCN(CC1)c2c3ncccc3cc(c2O)C)=O
+CC(C)(C)OC(N1CCN(C(C(OCC)=O)C1)CCc2cc3OCCOc3cc2)=O
+CC(C)(C)OC(N1CCN(C(C1)C#N)CCOCCO)=O
+CC(C)(C)OC(N1CCN(C(Cl)=O)C(CC)C1)=O
+CC(C)(C)OC(N1CCN(C(OCc2ccccc2)=O)C(C1)C(N(OC)C)=O)=O
+CC(C)(C)OC(N1CCN(CC1)C(=O)NNC(C2CCC3CN2C(N3OCc4ccccc4)=O)=O)=O
+CC(C)(C)OC(N1CCN(CC1)C(C(OC)=O)(C(OC)=O)CN2C(c3c(C2=O)cccc3)=O)=O
+CC(C)(C)OC(N1CCN(CC1)C(CN2Sc3c(cccc3)C2=O)=O)=O
+CC(C)(C)OC(N1CCN(CC1)C(Cl)=O)=O
+CC(C)(C)OC(N1CCN(CC1)C2CCCCc3c2cccc3)=O
+CC(C)(C)OC(N1CCN(CC1)CC(=O)N(C2CCc3ccc(cc3C2)OC)CCC)=O
+CC(C)(C)OC(N1CCN(CC1)CC(CNC(OCc2ccccc2)=O)O)=O
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(cc2)Nc3c(C(=O)OCC)c(nc(Cl)n3)C)=O
+CC(C)(C)OC(N1CCN(CC1)Cc2ccc(nc2)-c3cc4nccc(Oc5ccc(cc5F)NC(NC6CC6)=O)c4s3)=O
+CC(C)(C)OC(N1CCN(CC1)Cc2cncc(C(=O)OC)c2)=O
+CC(C)(C)OC(N1CCN(CC1)c2[nH]c(cc2C#N)-c3cc(ncc3)Cl)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(C3CCC(CC3)(C)C)cc(Br)cc2)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(C=O)c(ncn2)N)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(C3CC3)cn2)C4CC4)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(cc2)N3C(=O)OC(CO)C3)F)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(cn2)Br)C)=O
+CC(C)(C)OC(N1CCN(CC1)c2c(cc(cn2)CC=C)F)=O
+CC(C)(C)OC(N1CCN(CC1)c2cc(c(c(-c3cc(F)ncc3)n2)-c4ccccc4)C(=O)OC)=O
+CC(C)(C)OC(N1CCN(CC1)c2ccc(I)cn2)=O
+CC(C)(C)OC(N1CCN(CC1)c2ccc(N)nn2)=O
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)B(O)O)=O
+CC(C)(C)OC(N1CCN(CC1)c2ccc(cc2)I)=O
+CC(C)(C)OC(N1CCN(CC1)c2cccc3nc(ccc23)C)=O
+CC(C)(C)OC(N1CCN(CC1)c2cnc(N)cc2)=O
+CC(C)(C)OC(N1CCN(CC1)c2cnc(cc2)C=O)=O
+CC(C)(C)OC(N1CCN(CC1)c2nc(C(C)C)on2)=O
+CC(C)(C)OC(N1CCN(CC1)c2nc(Cl)nc(n2)Cl)=O
+CC(C)(C)OC(N1CCN(CC1)c2nc(ccc2)Br)=O
+CC(C)(C)OC(N1CCN(CC1)c2nc(nc(Cl)n2)N(C)CCCc3ccc(cc3)Cl)=O
+CC(C)(C)OC(N1CCN(CC1)c2nc3N(CCCc3c(O)n2)C)=O
+CC(C)(C)OC(N1CCN(CC1)c2ncc(cn2)O)=O
+CC(C)(C)OC(N1CCN(CCC1)C(C2CN(C2)C(=O)OCc3ccccc3)=O)=O
+CC(C)(C)OC(N1CCNC(C1)CC)=O
+CC(C)(C)OC(N1CCNC(CO)C1)=O
+CC(C)(C)OC(N1CCOC(C1)C(=O)O)=O
+CC(C)(C)OC(N1CCOC(C1)CN)=O
+CC(C)(C)OC(N1CCOC(Cn2nnc3ncc(-c4cn(C)nc4)nc23)C1)=O
+CC(C)(C)OC(N1CCOC(c2ccc(Cl)c(Cl)c2)C(CO)C1)=O
+CC(C)(C)OC(N1CCOc2ccc(-c3cnc(cc3)-c4[nH]ccn4)cc2C1)=O
+CC(C)(C)OC(N1CCc2c(C(F)(F)F)[nH]nc2C1)=O
+CC(C)(C)OC(N1CCc2c(CC1)ccc(Cl)c2CSC(N)=N)=O
+CC(C)(C)OC(N1CCc2c(CC1)ccc(OS(=O)(=O)C(F)(F)F)c2)=O
+CC(C)(C)OC(N1CCc2c(c(no2)C(=O)OCC)C1)=O
+CC(C)(C)OC(N1CCc2c(cc(CCO)cc2)C1)=O
+CC(C)(C)OC(N1CCc2c(cnc(n2)S(=O)(=O)C)C1)=O
+CC(C)(C)OC(N1CCc2c(nc3n(ncc3)c2N4CC(C4)C(=O)O)CC1)=O
+CC(C)(C)OC(N1CCc2c(sc(n2)-c3ccc(cc3)OC4CC(C4)N5CCCCC5)C1)=O
+CC(C)(C)OC(N1CCc2c1ccc(O)c2)=O
+CC(C)(C)OC(N1CCc2ccc(O)cc2CC1)=O
+CC(C)(C)OC(N1CCc2ccc(c(c2CC1)C)C#N)=O
+CC(C)(C)OC(N1CCc2ccc(cc2C1)C(O)=O)=O
+CC(C)(C)OC(N1CCc2n3nccc3ncc2C1)=O
+CC(C)(C)OC(N1CCc2nc(S(=O)(=O)C)nc(-c3c(Cl)cc(Cl)cc3)c2C1)=O
+CC(C)(C)OC(N1CCc2nn(-c3ccc(cc3)C(O)=O)cc2CC1)=O
+CC(C)(C)OC(N1Cc2c(C(OCC)=O)nc(-c3ccccc3)n2CCC1)=O
+CC(C)(C)OC(N1Cc2c(C3(CCNCC3)C1)cccc2)=O
+CC(C)(C)OC(N1Cc2c(c(ncn2)N)C1)=O
+CC(C)(C)OC(N1Cc2c(cc(N)cc2)CC1)=O
+CC(C)(C)OC(N1Cc2c(cc(cc2)CO)CC1)=O
+CC(C)(C)OC(N1Cc2c(nc(nc2-c3ccc(cc3)[N+](=O)[O-])N4CCOCC4C)C1)=O
+CC(C)(C)OC(N1Cc2cc(C(NCc3ccc(cc3)S(=O)(=O)CC)=O)ccc2C1C(C)C)=O
+CC(C)(C)OC(N1Cc2cc(C(OCC)=O)sc2CC1)=O
+CC(C)(C)OC(N1Cc2cc(cnc2C1C(C)C)C(O)=O)=O
+CC(C)(C)OC(N1Cc2n[nH]c(C(=O)O)c2C1)=O
+CC(C)(C)OC(N1Cc2nc[nH]c2CC1)=O
+CC(C)(C)OC(N1Cc2sc3ncc(C#N)c(Cl)c3c2CC1)=O
+CC(C)(C)OC(N1c2c(CCC1)cc(O)cc2)=O
+CC(C)(C)OC(N1c2c(c3c(c(OCc4ccccc4)c2)nccc3)C(COC(C)=O)C1)=O
+CC(C)(C)OC(NC(C#N)(CCC)C)=O
+CC(C)(C)OC(NC(C(=O)CCl)Cc1cc(F)cc(c1)F)=O
+CC(C)(C)OC(NC(C(=O)N(OC)C)CCS(=O)(=O)C)=O
+CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C2CCC(CC2)NCc3ccccc3)C)=O
+CC(C)(C)OC(NC(C(=O)NC1CCC(N(CC1O)C(=O)OCc2ccccc2)C)CC3CCCCC3)=O
+CC(C)(C)OC(NC(C(=O)NCc1ccccc1)CO)=O
+CC(C)(C)OC(NC(C(=O)O)C(CC(C)CCC=C)C)=O
+CC(C)(C)OC(NC(C(=O)O)C1CCCCC1)=O
+CC(C)(C)OC(NC(C(=O)O)CC1CCCCC1)=O
+CC(C)(C)OC(NC(C(=O)O)CCC(=O)OCc1ccccc1)=O
+CC(C)(C)OC(NC(C(=O)O)CCC(OCC)=O)=O
+CC(C)(C)OC(NC(C(=O)O)CCC)=O
+CC(C)(C)OC(NC(C(=O)O)CO)=O
+CC(C)(C)OC(NC(C(=O)O)Cc1cc(C)cc(c1)C)=O
+CC(C)(C)OC(NC(C(=O)OC)Cc1cc(F)c(Cl)cc1)=O
+CC(C)(C)OC(NC(C(=O)OC)Cc1ccc(cc1)O)=O
+CC(C)(C)OC(NC(C(=O)OCc1ccccc1)CCC(O)=O)=O
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+CC(C)(C)OC(NC(C(C)O)C(O)=O)=O
+CC(C)(C)OC(NC(C(NC1C(O)CN(CCC1)C(=O)OCc2ccccc2)=O)CC(C)C)=O
+CC(C)(C)OC(NC(C(O)=O)C(C)C)=O
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+CC(C)(C)OC(NC(C(O)=O)CC(C)C)=O
+CC(C)(C)OC(NC(C(O)=O)CCCCN)=O
+CC(C)(C)OC(NC(C(O)=O)COC)=O
+CC(C)(C)OC(NC(C(O)=O)Cc1c(cc(cc1C)O)C)=O
+CC(C)(C)OC(NC(C(O)=O)Cc1ccc(OC)cc1C)=O
+CC(C)(C)OC(NC(C(O)=O)Cc1ccc(cc1)Oc2c(C=CC(=O)OC)cccc2)=O
+CC(C)(C)OC(NC(C(O)C(O)=O)Cc1ccccc1)=O
+CC(C)(C)OC(NC(C(O)C)C(NCC)=O)=O
+CC(C)(C)OC(NC(C)(C)C(C(=O)OC)N)=O
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+CC(C)(C)OC(NC(C)C(=O)O)=O
+CC(C)(C)OC(NC(C)C(N(OC)C)=O)=O
+CC(C)(C)OC(NC(C)C=1N(C(c2c(ccn2N=1)C)=O)c3ccccc3)=O
+CC(C)(C)OC(NC(C)COC1CCNCC1)=O
+CC(C)(C)OC(NC(C)COc1ncc(NC(=O)c2ccc(cc2)OCc3ccccc3)c(Cl)c1)=O
+CC(C)(C)OC(NC(C)c1nc2c(c(C(O)=O)c1-c3ccccc3)nccc2)=O
+CC(C)(C)OC(NC(C)c1nc2ccc(F)cc2c(C(O)=O)c1-c3ccccn3)=O
+CC(C)(C)OC(NC(C)c1onc(C(=O)OCC)c1)=O
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+CC(C)(C)OC(NC(C1CCC(CC1)OS(=O)(=O)C)C(=O)OC)=O
+CC(C)(C)OC(NC(C1CCOCC1)C(N2c3c(CC2C(OCC)=O)cccn3)=O)=O
+CC(C)(C)OC(NC(CC(C)C)C(=O)C(O)(C)CO)=O
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+CC(C)(C)OC(NC(CC)C=O)=O
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+CC(C)(C)OC(NC(CCCNC(N[N+]([O-])=O)=N)C(=O)O)=O
+CC(C)(C)OC(NC(CCCNC(OCc1ccccc1)=O)CC(=O)O)=O
+CC(C)(C)OC(NC(CCCO)C)=O
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+CC(C)(C)OC(NC(CN)C(C)C)=O
+CC(C)(C)OC(NC(CO)C)=O
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+CC(C)(C)OC(NC(Cc1c[nH]c2c1cccc2)C(O)=O)=O
+CC(C)(C)OC(NC(Cc1c[nH]c2ccc(O)cc12)C(=O)N3CCCC3C(N)=O)=O
+CC(C)(C)OC(NC(Cc1cc(ccc1)C#N)C(N(c2ccc(cc2)OC)C)=O)=O
+CC(C)(C)OC(NC(Cc1ccc(cc1)Cl)CCO)=O
+CC(C)(C)OC(NC(Cc1ccc(cc1)Oc2ccc(cc2)C=O)C(O)=O)=O
+CC(C)(C)OC(NC(Cc1ccc(cc1)[N+]([O-])=O)C2CN(C(O2)=O)C3(CC3)c4cccc(c4)C(C)C)=O
+CC(C)(C)OC(NC(Cc1ccc2c(ccc(n2)-c3c(cccc3Cl)Cl)c1)C(=O)OC)=O
+CC(C)(C)OC(NC(Cc1ccccc1)C(=O)O)=O
+CC(C)(C)OC(NC(Cc1ccccc1)c2ncc[nH]2)=O
+CC(C)(C)OC(NC(Cc1cccnc1)C(O)=O)=O
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+CC(C)(C)OC(NC(c1cc(Cl)c(c(c1OC)Br)C)C)=O
+CC(C)(C)OC(NC(c1cc(ccc1)Br)CN=[N+]=[N-])=O
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+CC(C)(C)OC(NC(c1ccc(cc1)OCC(C)CCC)CN=[N+]=[N-])=O
+CC(C)(C)OC(NC(c1ccccc1)C(NC2CCCC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C2)=O)=O
+CC(C)(C)OC(NC(c1ccccc1)CC(O)=O)=O
+CC(C)(C)OC(NC(c1ccnc(-c2c(cnn2C(F)F)[N+]([O-])=O)c1)CC=C)=O
+CC(C)(C)OC(NC(c1ncc(-c2cc(F)ccc2F)[nH]1)C3CCOCC3)=O
+CC(C)(C)OC(NC1(C(=O)OC)CC1C=C)=O
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+CC(C)(C)OC(NC1(CC1)CN)=O
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+CC(C)(C)OC(NC1(CCNCC1)C)=O
+CC(C)(C)OC(NC1(CNCCC1)C)=O
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+CC(C)(C)OC(NC1C(CCOC1)N)=O
+CC(C)(C)OC(NC1C(CN(CCO)CC1)OC)=O
+CC(C)(C)OC(NC1C(CN(Cc2ccccc2)C1)OC(=O)c3ccc(cc3)[N+](=O)[O-])=O
+CC(C)(C)OC(NC1C(N)CCCC1)=O
+CC(C)(C)OC(NC1C(N)CS(=O)(=O)CC1)=O
+CC(C)(C)OC(NC1C(NCC(CC1)O)=O)=O
+CC(C)(C)OC(NC1C(Nc2c(NC1)ccc(c2)C)=O)=O
+CC(C)(C)OC(NC1C(O)CN(CC1)C(=O)OCc2ccccc2)=O
+CC(C)(C)OC(NC1C2c3c(ccc(Oc4c5c(ncc4)NC(=O)CC5)c3)OC12)=O
+CC(C)(C)OC(NC1C=CC(CO)C1)=O
+CC(C)(C)OC(NC1CC(C)CN(Cc2ccccc2)C1)=O
+CC(C)(C)OC(NC1CC(C1)CO)=O
+CC(C)(C)OC(NC1CC(CC1)C(ON=C(c2ccccc2)N)=O)=O
+CC(C)(C)OC(NC1CC(CC1)N)=O
+CC(C)(C)OC(NC1CC(CCC)C(N)CC1)=O
+CC(C)(C)OC(NC1CC(c2ccncc2N)CC(C)C1)=O
+CC(C)(C)OC(NC1CC1c2ccc(cc2)Br)=O
+CC(C)(C)OC(NC1CC1c2ccc(cc2)OC)=O
+CC(C)(C)OC(NC1CC=CCN(C1=O)OCc2ccccc2)=O
+CC(C)(C)OC(NC1CCC(=CC1)c2c3ncccc3[nH]c2)=O
+CC(C)(C)OC(NC1CCC(C1)C(=O)O)=O
+CC(C)(C)OC(NC1CCC(CC1)CNc2nc(Cl)ncc2[N+]([O-])=O)=O
+CC(C)(C)OC(NC1CCCC(C1)C(OC)=O)=O
+CC(C)(C)OC(NC1CCCC1C(=O)O)=O
+CC(C)(C)OC(NC1CCCC=CCCC(CC(C2CC(C)C(=O)O2)NC(=O)C(NC1=O)C)C)=O
+CC(C)(C)OC(NC1CCCCC1C(=O)O)=O
+CC(C)(C)OC(NC1CCCN(C(=O)OCc2ccccc2)CC1)=O
+CC(C)(C)OC(NC1CCCN(C(OCc2ccccc2)=O)C1C)=O
+CC(C)(C)OC(NC1CCCNC1)=O
+CC(C)(C)OC(NC1CCN(C(C(F)(F)F)c2ccc(nc2)Cl)C1)=O
+CC(C)(C)OC(NC1CCN(C2C(CCCC2)N=[N+]=[N-])C1)=O
+CC(C)(C)OC(NC1CCN(c2c(cc(cc2)N3C(=O)OC(CO)C3)F)C1)=O
+CC(C)(C)OC(NC1CCNC1)=O
+CC(C)(C)OC(NC1CCc2ccc(cc2C1Cc3ccccc3)C#N)=O
+CC(C)(C)OC(NC1CN(C(=O)OCc2ccccc2)CC(C)C1(C)O)=O
+CC(C)(C)OC(NC1CNC1)=O
+CC(C)(C)OC(NC1CNc2c(cccc2)NC1=O)=O
+CC(C)(C)OC(NC1Cc2c(ccc(O)c2)CC1)=O
+CC(C)(C)OC(NC1c2c(NC(C3CC3)C1C)ccc(Br)c2)=O
+CC(C)(C)OC(NCC#C)=O
+CC(C)(C)OC(NCC#Cc1ccc2ncnc(Nc3ccc(c(Cl)c3)Oc4ccc(C)nc4)c2c1)=O
+CC(C)(C)OC(NCC(C(O)=O)Cc1cnc(OC)cc1)=O
+CC(C)(C)OC(NCC(C)c1ccc(cc1)I)=O
+CC(C)(C)OC(NCC(CC)C(CC)O)=O
+CC(C)(C)OC(NCC(N)c1c2cc(ccc2[nH]c1)Cl)=O
+CC(C)(C)OC(NCC(N1CCCC1C(=O)N)=O)=O
+CC(C)(C)OC(NCC(NC(c1ccc(cc1)-c2ccccc2)CC(O)=O)=O)=O
+CC(C)(C)OC(NCC(NS(=O)C(C)(C)C)c1cc(F)cc(Br)c1)=O
+CC(C)(C)OC(NCC(O)=O)=O
+CC(C)(C)OC(NCC1(C(C(C)C)C1)C(OC)=O)=O
+CC(C)(C)OC(NCC1(CC1)C(=O)O)=O
+CC(C)(C)OC(NCC1(CC12CCCCC2)C(=O)N)=O
+CC(C)(C)OC(NCC1=C(c2c(ccc(c2)C(O)=O)C(N1CC(C)C)=O)c3ccccc3)=O
+CC(C)(C)OC(NCC1CCC(CC1)C(=O)O)=O
+CC(C)(C)OC(NCC1CCC(CC1)CN)=O
+CC(C)(C)OC(NCC1CCC(CC1)NC(OCc2ccccc2)=O)=O
+CC(C)(C)OC(NCC1CCCN1C(=O)c2c(cc(cc2)C(=O)NC(CCSC)c3[nH]c4cc(ccc4n3)Cl)Cl)=O
+CC(C)(C)OC(NCC1CCN(CC1)c2cccc3ccc(nc23)-c4n5ccc(cc5nn4)C=C)=O
+CC(C)(C)OC(NCC1CCN(CC1)c2ncc(S(=O)(=O)C)cc2[N+](=O)[O-])=O
+CC(C)(C)OC(NCC1CCNCC1)=O
+CC(C)(C)OC(NCC1CN(C(O1)=O)c2cc(c(cc2)-c3scc(Cn4cncc4)n3)F)=O
+CC(C)(C)OC(NCC1CNC1)=O
+CC(C)(C)OC(NCC=O)=O
+CC(C)(C)OC(NCCBr)=O
+CC(C)(C)OC(NCCC(CO)O)=O
+CC(C)(C)OC(NCCCC(=O)c1ccc(Br)c(F)c1)=O
+CC(C)(C)OC(NCCCC(C(O)=O)N)=O
+CC(C)(C)OC(NCCCCNS(=O)(=O)c1ccc(cc1)CN(Cc2nccn2C)Cc3ncc[nH]3)=O
+CC(C)(C)OC(NCCCNn1c(COCC)nc2cnc3c(cccc3)c12)=O
+CC(C)(C)OC(NCCCOc1cc2[n+]([O-])cc3c(n(c(n3)CCOC)CCC)c2cc1)=O
+CC(C)(C)OC(NCCCc1ccc(cc1)[N+]([O-])=O)=O
+CC(C)(C)OC(NCCN(CC(O)=O)CC(O)=O)=O
+CC(C)(C)OC(NCCN)=O
+CC(C)(C)OC(NCCNC(=O)CC1N=C(c2ccc(cc2)Cl)c3cc(ccc3-n4c1nnc4C)OC)=O
+CC(C)(C)OC(NCCNC(Nc1ccc(cc1)NC(OCC2c3ccccc3-c4ccccc24)=O)=O)=O
+CC(C)(C)OC(NCCNC)=O
+CC(C)(C)OC(NCCNCCN)=O
+CC(C)(C)OC(NCCOCCOCCN)=O
+CC(C)(C)OC(NCCOCCOCCOCCN)=O
+CC(C)(C)OC(NCCOCCOCCOCCOCCC(O)=O)=O
+CC(C)(C)OC(NCCOc1ccc(N)cc1OC)=O
+CC(C)(C)OC(NCCn1ccc2ncnc(Cl)c12)=O
+CC(C)(C)OC(NCc1c(F)c(Cl)cc(c1)C(O)=O)=O
+CC(C)(C)OC(NCc1ccc(Cl)cc1CN)=O
+CC(C)(C)OC(NCc1ccc(c(N=C=S)c1)Cl)=O
+CC(C)(C)OC(NCc1ccc(c(c1)OC)OCc2cnc(cc2)OC)=O
+CC(C)(C)OC(NCc1ccc(cc1)CNCCCCN(CCC)CCC)=O
+CC(C)(C)OC(NCc1cccc([N+](=O)[O-])c1)=O
+CC(C)(C)OC(NCc1cnccc1-c2nc3N(C(CC)C(=O)N(C)c3cn2)C4CCCC4)=O
+CC(C)(C)OC(NCc1sc(cn1)C=O)=O
+CC(C)(C)OC(NN)=O
+CC(C)(C)OC(NNC(=O)OC(C)(C)C)=O
+CC(C)(C)OC(NNC(=O)c1ccc(cc1)C(=O)OC)=O
+CC(C)(C)OC(NNc1c(c(Cl)nc(c1C)C)[N+]([O-])=O)=O
+CC(C)(C)OC(NO)=O
+CC(C)(C)OC(Nc1c(-c2ccc(cc2)Br)onc1C)=O
+CC(C)(C)OC(Nc1c(C(O)=O)sc(SC)c1C#N)=O
+CC(C)(C)OC(Nc1c(C)nc(cc1)Cl)=O
+CC(C)(C)OC(Nc1c(C)nc(nc1C)OCC(O)=O)=O
+CC(C)(C)OC(Nc1c(Cl)c(cc(C#N)c1)C(CCO)=C)=O
+CC(C)(C)OC(Nc1c(N)cccc1F)=O
+CC(C)(C)OC(Nc1c(O)ccc(Br)c1)=O
+CC(C)(C)OC(Nc1c(cc(c(N2CCSCC2)c1)C(F)(F)F)[N+](=O)[O-])=O
+CC(C)(C)OC(Nc1c(ccc(O)c1C)C)=O
+CC(C)(C)OC(Nc1c(ccc([N+](=O)[O-])c1)F)=O
+CC(C)(C)OC(Nc1c(ccc(c1)Oc2ccc([N+](=O)[O-])cn2)F)=O
+CC(C)(C)OC(Nc1c(cccc1)NC(=O)c2cc3c(s2)ccc(OC(c4ccccc4)=O)c3)=O
+CC(C)(C)OC(Nc1c2c(ccc1Cl)nc(-c3n[nH]cc3)cc2)=O
+CC(C)(C)OC(Nc1cc(C(C)(C)COC2OCCCC2)no1)=O
+CC(C)(C)OC(Nc1cc(C)c(c(OC)n1)C#N)=O
+CC(C)(C)OC(Nc1cc(C)c(c(c1)C)Br)=O
+CC(C)(C)OC(Nc1cc(C=C)ncn1)=O
+CC(C)(C)OC(Nc1cc(N)c(F)cc1)=O
+CC(C)(C)OC(Nc1cc(N2C(NCC2)=O)ccc1)=O
+CC(C)(C)OC(Nc1cc(c(C(F)(F)F)cc1[N+]([O-])=O)C)=O
+CC(C)(C)OC(Nc1cc2CC3(CC3)C(CC=O)c2cc1)=O
+CC(C)(C)OC(Nc1cc2c(cc1)[nH]cc2C(=O)C(=O)OC)=O
+CC(C)(C)OC(Nc1ccc(-c2ccsc2)cc1N)=O
+CC(C)(C)OC(Nc1ccc(C)c(c1)-c2ccc(cc2)C(=O)OCC)=O
+CC(C)(C)OC(Nc1ccc(F)c(C2(N=C(N)c3nc(c(C#N)n3C2)Cl)C)c1)=O
+CC(C)(C)OC(Nc1ccc(N)c(Br)n1)=O
+CC(C)(C)OC(Nc1ccc(cc1)C(=O)Nc2cc(Nc3nc(c(Cl)cc3)-c4c5ccccc5n(S(=O)(=O)c6ccccc6)c4)ccc2)=O
+CC(C)(C)OC(Nc1ccc(cc1)C(N2CCC(C2)Nc3ncc(Cl)c(-c4c5c(n(S(=O)(=O)c6ccccc6)c4)cccc5)n3)=O)=O
+CC(C)(C)OC(Nc1ccc(cc1F)B(O)O)=O
+CC(C)(C)OC(Nc1cccc(N2c3c(C=C(C2=O)CC)cnc(n3)SC)c1)=O
+CC(C)(C)OC(Nc1cccc(NC2CC2)c1)=O
+CC(C)(C)OC(Nc1cccc(Oc2c(C#N)c(cc(F)c2)Nc3c(F)cc(cc3)I)c1)=O
+CC(C)(C)OC(Nc1cccc(c1)C=C)=O
+CC(C)(C)OC(Nc1cccc(c1)O)=O
+CC(C)(C)OC(Nc1cccc(n1)CCO)=O
+CC(C)(C)OC(Nc1ccncc1C=Cc2n[nH]c3ccc(cc23)Br)=O
+CC(C)(C)OC(Nc1cn2nc(ccc2n1)I)=O
+CC(C)(C)OC(Nc1csc(c1)Br)=O
+CC(C)(C)OC(Nc1nc(CC(=O)OCC)cs1)=O
+CC(C)(C)OC(Nc1nc(N2CC(N)CCC2)ccc1)=O
+CC(C)(C)OC(Nc1ncc(nc1)COC(=O)C)=O
+CC(C)(C)OC(Nc1ncc(s1)C(OCC)=O)=O
+CC(C)(C)OC(Nc1onc(c1)-c2cccc(Br)c2)=O
+CC(C)(C)OC(Nc1sc(nc1C(=O)OCC)Br)=O
+CC(C)(C)OC(OC(C)(C)C)=O
+CC(C)(C)OC(OC(C)(C)C)N(C)C
+CC(C)(C)OC(Oc1ccc(c(C)c1)O)=O
+CC(C)(C)OC(c1[nH]c(c(c1C)C(OCC)=O)CC(OCC)=O)=O
+CC(C)(C)OC(c1c(-c2ccc(cc2)CBr)cccc1)=O
+CC(C)(C)OC(c1c(OCc2ccccc2)c(O)nc(Cc3c(Cl)cccc3Cl)n1)=O
+CC(C)(C)OC(c1c(c2c(c(OC(C)=O)c(nc2s1)C)C)N)=O
+CC(C)(C)OC(c1c(cc(CO[Si](C)(C)C(C)(C)C)c(Cl)c1)F)=O
+CC(C)(C)OC(c1c(cccc1)-c2cc(c(cc2)CBr)F)=O
+CC(C)(C)OC(c1c(nc2ccc(Br)cc2c1-c3ccc(cc3)F)C)=O
+CC(C)(C)OC(c1c(scc1)-c2ccc(-c3ccc(cc3)C4(CC4)C(=O)OCC)c(OC)c2)=O
+CC(C)(C)OC(c1c(scc1)-c2ccc(cc2)-c3ccc(cc3)C4(CC4)C(=O)OCC)=O
+CC(C)(C)OC(c1c2n(cn1)-c3ccccc3C(N4C2CC4)=O)=O
+CC(C)(C)OC(c1cc(Cl)c(F)cc1F)=O
+CC(C)(C)OC(c1cc(F)c(c(F)c1)CSc2n(c(cn2)C(C)(C)c3ccc(Cl)c(OC)c3)-c4ccc(cc4)F)=O
+CC(C)(C)OC(c1cc2c(NC(=O)C2)s1)=O
+CC(C)(C)OC(c1ccc(-c2ccccc2)cc1NC(=O)c3c(O)ccc(C)c3)=O
+CC(C)(C)OC(c1ccc(cc1)B(O)O)=O
+CC(C)(C)OC(c1ccc(cc1)Br)=O
+CC(C)(C)OC(c1ccc(cc1)F)=O
+CC(C)(C)OC(c1ccc(cc1)I)=O
+CC(C)(C)OC(c1ccc(cc1)N(Cc2scnc2)c3ccc(C(=O)OC)c(OC)c3)=O
+CC(C)(C)OC(c1ccc(cc1)N)=O
+CC(C)(C)OC(c1ccc(cc1)O)=O
+CC(C)(C)OC(c1cccc(c1)N2Cc3c(CC2)c(cnc3)C(OC)=O)=O
+CC(C)(C)OC(c1ccccc1CN2C(=O)C3(CCN(CC3)C(=O)OCc4ccccc4)N(c5ccccc5)C2)=O
+CC(C)(C)OC(c1cnn(-c2ccc(cc2)C(=O)OC)c1Cl)=O
+CC(C)(C)OC(c1sc2n(C(OCC)=O)nc(c2c1)N)=O
+CC(C)(C)OC(n1c(-c2ccc(Cl)c(c2)S(=O)(=O)Cc3cc(Cl)ccc3)cc4ccccc14)=O
+CC(C)(C)OC(n1c(-c2ccc(cc2)NS(=O)(=O)CC)ccc1)=O
+CC(C)(C)OC(n1c(cc(N)n1)C)=O
+CC(C)(C)OC(n1c(cc2c1cccc2)C(C(=O)OCC)C)=O
+CC(C)(C)OC(n1c(ccc1-c2sccn2)-c3cc(cc(OC(COC)C)c3)O)=O
+CC(C)(C)OC(n1c2c(c(CN(CCN(C)C(=O)OC(C)(C)C)C)n1)c(O)ccc2)=O
+CC(C)(C)OC(n1c2c(cc1B(O)O)cccc2)=O
+CC(C)(C)OC(n1c2ccc(Br)cc2cn1)=O
+CC(C)(C)OC(n1c2ccc(OCc3ccccc3)cc2cc1C(=O)OCC)=O
+CC(C)(C)OC(n1c2ccc(cc2cc1)O)=O
+CC(C)(C)OC(n1cnc2ccc(N)cc12)=O
+CC(C)(C)OC(n1nc(c(-c2ccc(C#N)c(c2)Cl)c1C)C)=O
+CC(C)(C)OCC(=O)CC(OCC)=O
+CC(C)(C)OCCCO
+CC(C)(C)OCCOCCOCCOCCO
+CC(C)(C)OCCON
+CC(C)(C)OCCn1cc(cn1)-c2cc(-c3nc4ccccc4o3)c(nc2)N
+CC(C)(C)OCc1c(C(OC)=O)c(on1)C(C)C
+CC(C)(C)OCc1c(cn[nH]1)C(=O)OCC
+CC(C)(C)OCl
+CC(C)(C)ON
+CC(C)(C)ON=C1C=C(Oc2ccc(cc12)O)c3ncn4c(c3)ccc4
+CC(C)(C)ON=C1c2cc(Br)ccc2OC(=C1)c3ncn4c(c3)ccc4
+CC(C)(C)ON=O
+CC(C)(C)OO
+CC(C)(C)Oc1cc(-n2cc(F)c(F)c2)ccc1[N+](=O)[O-]
+CC(C)(C)Oc1ccc(C(CCl)O)c2sc(OC(C)C)nc12
+CC(C)(C)Oc1cccc(Cl)c1C#N
+CC(C)(C)Oc1ccccc1CO
+CC(C)(C)Oc1nc(C=C)cnc1
+CC(C)(C)S
+CC(C)(C)S(=O)N
+CC(C)(C)S(=O)NC(C)C1CCOCC1
+CC(C)(C)S(=O)NC(C)c1cnc(cc1)C(F)(F)F
+CC(C)(C)S(=O)NC(CC(C)C(OCC)=O)c1c(cccc1F)OCC
+CC(C)(C)S(=O)NC(c1ccc(cc1)Cl)(C(CC=C)c2cccc(Cl)c2)C
+CC(C)(C)S(=O)NC1(c2c(ccc(c2)Br)OCC13CC3)C(F)(F)C(=O)OCC
+CC(C)(C)S(N=C(c1cc(Br)ccc1)c2c(C#N)nccc2)=O
+CC(C)(C)S(N=CCCCC(=O)OC)=O
+CC(C)(C)S(NC(C)(CCO)c1cc(c(F)cc1F)Br)=O
+CC(C)(C)S(NC(CC(C(=O)OCC)C)c1c(cccc1)-c2ccccc2)=O
+CC(C)(C)S(NC(CC(C(=O)OCC)C)c1c(cccc1OC)F)=O
+CC(C)(C)S(NC(CCC)c1cc(cnc1)Br)=O
+CC(C)(C)S(NC(c1c(ccc(n1)Br)F)(CC(O)C(F)(F)F)CF)=O
+CC(C)(C)S(NC(c1ccnc(c1)Br)CC)=O
+CC(C)(C)S(NC(c1noc(c1)-c2ccc(cc2)Cl)C)=O
+CC(C)(C)Sc1ccc(cc1)Br
+CC(C)(C)[N+]#[C-]
+CC(C)(C)[SiH2]OC(C)(C)C1CCC(CC1)CO
+CC(C)(C)[SiH2]OC(C)(C)C1NCCC1
+CC(C)(C)[SiH2]OC(C)(C)c1cc(ccc1Cl)C=O
+CC(C)(C)[SiH2]OC(C)(C)c1cc(nc(Cl)c1)N
+CC(C)(C)[SiH2]OC(C)(C)c1ccnc(Br)c1
+CC(C)(C)[SiH2]OC(C)(C)c1nc(CO)ccc1
+CC(C)(C)[SiH](C)C
+CC(C)(C)[Si](C)(C)C#C
+CC(C)(C)[Si](C)(C)CCCOCC1OC1
+CC(C)(C)[Si](C)(C)Cl
+CC(C)(C)[Si](C)(C)OC(=C)OC
+CC(C)(C)[Si](C)(C)OC(C(C(N1C(Cc2ccccc2)COC1=O)=O)C)C3COC(C)(C)O3
+CC(C)(C)[Si](C)(C)OC(C(F)(F)F)CC(C)(C)c1ccccn1
+CC(C)(C)[Si](C)(C)OC(C)(C)C(n1c2c(nc1CCl)cnc3c2cccc3)CO[Si](C)(C)C(C)(C)C
+CC(C)(C)[Si](C)(C)OC(C)(C)CC(=O)O
+CC(C)(C)[Si](C)(C)OC(C)C1N(Cc2ccccc2)C(C(OC1)C)=O
+CC(C)(C)[Si](C)(C)OC(C)CCCC(CP(OC)(OC)=O)=O
+CC(C)(C)[Si](C)(C)OC(C)CON
+CC(C)(C)[Si](C)(C)OC(CC=O)c1cccc(Br)c1
+CC(C)(C)[Si](C)(C)OC(CCC1NC(=O)CC1)Cc2cc(-c3ccccc3)ccc2
+CC(C)(C)[Si](C)(C)OC(CCc1cnccc1)C(Oc2ccc(cc2)Br)C
+CC(C)(C)[Si](C)(C)OC(CN)c1ccc(c2nc(O)ccc12)O
+CC(C)(C)[Si](C)(C)OC(c1cc2c(nc1C(OC)OC)NCCC2)C
+CC(C)(C)[Si](C)(C)OC(c1cccc(C=Cc2nc3c(ccc(Cl)c3)cc2)c1)CCc4c(cccc4)C(C)(C)OC5OCCCC5
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCN=[N+]=[N-]
+CC(C)(C)[Si](C)(C)OC1(CCCCC1)CCCOS(=O)(=O)C
+CC(C)(C)[Si](C)(C)OC1C(C=O)C(OC1)c2cnccc2
+CC(C)(C)[Si](C)(C)OC1C(CC(N=[N+]=[N-])C1)COCc2ccccc2
+CC(C)(C)[Si](C)(C)OC1C2C(C(C(CCO)=C)CC2)(CCC1)C
+CC(C)(C)[Si](C)(C)OC1C2C(CCC1)(C(CCC2)C(C)CCCC(C)(C)O)C
+CC(C)(C)[Si](C)(C)OC1CC(CCC1)I
+CC(C)(C)[Si](C)(C)OC1CC(CCCO)N(C(=O)OCC=C)C1
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)=O
+CC(C)(C)[Si](C)(C)OC1CCC(CC1)CO
+CC(C)(C)[Si](C)(C)OC1CCC(N=[N+]=[N-])C1
+CC(C)(C)[Si](C)(C)OC1CCCC(N2C=C(C(=O)NC2=O)C)C1
+CC(C)(C)[Si](C)(C)OC1CCCC2C1NCCN2
+CC(C)(C)[Si](C)(C)OC1CN(CCC1N2CCOCC2)C(OCc3ccccc3)=O
+CC(C)(C)[Si](C)(C)OC1CN2C(Cc3ccc(cc3)C#N)(C1)C(N(c4cc(Cl)cc(c4)Cl)C2=O)=O
+CC(C)(C)[Si](C)(C)OC1CNC1
+CC(C)(C)[Si](C)(C)OC1COC2C(COC12)NCc3ccccc3
+CC(C)(C)[Si](C)(C)OCC#C
+CC(C)(C)[Si](C)(C)OCC(C)(C)n1cc(c2c1ncnc2)I
+CC(C)(C)[Si](C)(C)OCC(C)CBr
+CC(C)(C)[Si](C)(C)OCC(C)O
+CC(C)(C)[Si](C)(C)OCC(C=C)N(CC(=O)N(C)OC)C(=O)OC(C)(C)C
+CC(C)(C)[Si](C)(C)OCC(CCO)N
+CC(C)(C)[Si](C)(C)OCC(CCOCc1ccc(cc1)OC)=C
+CC(C)(C)[Si](C)(C)OCC(CNC(OC(C)(C)C)=O)n1c2c3c(cccc3)ncc2nc1CCl
+CC(C)(C)[Si](C)(C)OCC(COCc1ccccc1)n2c(nc3cnc4ccccc4c23)CCl
+CC(C)(C)[Si](C)(C)OCC(N1c2nc(OC)c(cc2C(C(=C1)C(OCC)=O)=O)Br)C(C)C
+CC(C)(C)[Si](C)(C)OCC(ON1C(c2c(C1=O)cccc2)=O)CCP(OCC)(OCC)=O
+CC(C)(C)[Si](C)(C)OCC(ONc1ncnc(Cl)c1NC=O)COCP(OCC)(OCC)=O
+CC(C)(C)[Si](C)(C)OCC1(CC(SC)=NCCS1)C
+CC(C)(C)[Si](C)(C)OCC12CC1C(=O)N(Cc3ccc(OC)cc3OC)C2
+CC(C)(C)[Si](C)(C)OCC1C(CC(C1)O)O[Si](C)(C)C(C)(C)C
+CC(C)(C)[Si](C)(C)OCC1CC(=CCN1C(=O)OCC=C)C=2NC(=S)SC=2
+CC(C)(C)[Si](C)(C)OCC1CC(CC1O)n2ccc3c(ncnc23)NC4c5ccccc5CC4
+CC(C)(C)[Si](C)(C)OCC1CC1(c2ncccc2)C=O
+CC(C)(C)[Si](C)(C)OCC1CCc2c1c3c(Cl)ncnc3s2
+CC(C)(C)[Si](C)(C)OCC1OC(C(C1)O)n2c3ncnc(N)c3nc2
+CC(C)(C)[Si](C)(C)OCC1OC(CC1O)N2C(NC(=N)C(=C2)I)=O
+CC(C)(C)[Si](C)(C)OCC1OC(OCC1CC(OCC)=O)C
+CC(C)(C)[Si](C)(C)OCC1c2ccccc2CC1N
+CC(C)(C)[Si](C)(C)OCC=1C(NC(NC=1)=O)=O
+CC(C)(C)[Si](C)(C)OCC=O
+CC(C)(C)[Si](C)(C)OCCBr
+CC(C)(C)[Si](C)(C)OCCC(C(O)=O)NC(=O)OC(C)(C)C
+CC(C)(C)[Si](C)(C)OCCC(C)n1nc(-c2cccc(c2)Cl)nn1
+CC(C)(C)[Si](C)(C)OCCC(n1cncc1)c2ccc(cc2)C#N
+CC(C)(C)[Si](C)(C)OCCC1OCCc2c1ccc(c2)C(=O)N
+CC(C)(C)[Si](C)(C)OCCC1OCCc2cc(-c3cnccc3)ccc12
+CC(C)(C)[Si](C)(C)OCCCBr
+CC(C)(C)[Si](C)(C)OCCCCBr
+CC(C)(C)[Si](C)(C)OCCCCCC(OC)C
+CC(C)(C)[Si](C)(C)OCCCCCCBr
+CC(C)(C)[Si](C)(C)OCCCCCCN(C(=O)C(=O)OCC)C(C)(C)C
+CC(C)(C)[Si](C)(C)OCCCCCCc1cccc(OCCCC(OCC)=O)c1CCC(OCC)=O
+CC(C)(C)[Si](C)(C)OCCCCNc1c2ccccc2ncc1[N+]([O-])=O
+CC(C)(C)[Si](C)(C)OCCCN(C(OCc1ccccc1)=O)CC
+CC(C)(C)[Si](C)(C)OCCCN1C(=O)N(c2scc(c2C1=O)C)C
+CC(C)(C)[Si](C)(C)OCCCOc1ccc(Cc2c(C)nc(nc2OS(=O)(=O)c3c(C)cc(cc3C)C)N)c(c1)OC
+CC(C)(C)[Si](C)(C)OCCC[N+](=O)[O-]
+CC(C)(C)[Si](C)(C)OCCCc1c2c(c(ccc2Nc3c(-c4ncccn4)oc5cnccc35)Cl)n(n1)C(OC(C)(C)C)=O
+CC(C)(C)[Si](C)(C)OCCN
+CC(C)(C)[Si](C)(C)OCCN(C)c1ccc(cc1)C(OCC)=O
+CC(C)(C)[Si](C)(C)OCCN1C(=O)C(C)(C)c2cc(N)c(cc12)N
+CC(C)(C)[Si](C)(C)OCCN1C(C)(C)c2c(cc(Br)s2)C1=O
+CC(C)(C)[Si](C)(C)OCCN1CCCC(=O)c2cn(Cc3ccc(cc3)OC)nc12
+CC(C)(C)[Si](C)(C)OCCNC(C)C
+CC(C)(C)[Si](C)(C)OCCO
+CC(C)(C)[Si](C)(C)OCCOc1cc(C)cc(C)c1
+CC(C)(C)[Si](C)(C)OCCOc1ccc(-c2nc(c3c(cc(OC)cc3OC)n2)O)nc1-c4ccc(cc4)S(=O)(=O)C
+CC(C)(C)[Si](C)(C)OCCOc1cccc(C=O)c1
+CC(C)(C)[Si](C)(C)OCCc1cc(ccc1)O
+CC(C)(C)[Si](C)(C)OCCc1cc(sc1)CCO
+CC(C)(C)[Si](C)(C)OCCc1cc2ccccc2n1-c3ccc(cc3)OCc4ccccc4
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)-c2cc3c(CN(CC3)C(=O)COC(C)=O)cc2
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)-c2nc(c(nc2)N)C(=O)Nc3cccnc3
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)C=O
+CC(C)(C)[Si](C)(C)OCCc1ccc(cc1)CC(C(=O)OC)C
+CC(C)(C)[Si](C)(C)OCCc1cn[nH]c1
+CC(C)(C)[Si](C)(C)OCCn1c2cc(c(C)cc2cn1)N
+CC(C)(C)[Si](C)(C)OCCn1cc-2c(CCc3c-2sc4ncnc(Nc5cc(c(OCc6ncccc6)cc5)Cl)c34)n1
+CC(C)(C)[Si](C)(C)OCCn1ccc2c1cc(N)c(C)c2
+CC(C)(C)[Si](C)(C)OCCn1ncc(c1)Br
+CC(C)(C)[Si](C)(C)OCc1c(C)cnc(c1)N
+CC(C)(C)[Si](C)(C)OCc1c(cc(NC(=O)CCN(C)C2CCC(CC2)OC(C(c3cccs3)(c4cccs4)O)=O)c(c1)Cl)OC
+CC(C)(C)[Si](C)(C)OCc1cc(CCN)ccc1Cl
+CC(C)(C)[Si](C)(C)OCc1cc(OCC)c(c(OCC)c1)F
+CC(C)(C)[Si](C)(C)OCc1cc(OCOC)cc(C2C(CCC2)C(OC)=O)c1OCOC
+CC(C)(C)[Si](C)(C)OCc1cc(cc(Cl)c1Cl)CCN
+CC(C)(C)[Si](C)(C)OCc1cc2c(c(F)cc(Cl)c2)n1CCC(OCC)=O
+CC(C)(C)[Si](C)(C)OCc1cc2cc(-c3c(Cl)nc4ccccc4c3)n(c2cc1)C(=O)OC(C)(C)C
+CC(C)(C)[Si](C)(C)OCc1cc2cccnc2c(c1)Br
+CC(C)(C)[Si](C)(C)OCc1cc[n+](cc1)N
+CC(C)(C)[Si](C)(C)OCc1ccc(COC)n2nc(cc12)C(F)(F)F
+CC(C)(C)[Si](C)(C)OCc1ccc(cc1)OP(OCC)(OCC)=O
+CC(C)(C)[Si](C)(C)OCc1ccc(n2nc(C(F)(F)F)cc12)I
+CC(C)(C)[Si](C)(C)OCc1ccc2n(c(CCl)nc2c1)CCC
+CC(C)(C)[Si](C)(C)OCc1cccc(-n2cc(nc2)C(=O)OCC)c1
+CC(C)(C)[Si](C)(C)OCc1cccc(C=O)n1
+CC(C)(C)[Si](C)(C)OCc1cccc(N2CCNCC2)c1F
+CC(C)(C)[Si](C)(C)OCc1cccc(c1COP(OCC=C)(OCC=C)=O)Cl
+CC(C)(C)[Si](C)(C)OCc1ccnc(C)c1
+CC(C)(C)[Si](C)(C)OCc1n(C)c2c(c1)cc3c(C=CCCCC3O)c2
+CC(C)(C)[Si](C)(C)OCc1n(C)c2cc3CCCCC(c3cc2c1)O
+CC(C)(C)[Si](C)(C)Oc1c(C)cc(cc1C)C2CC2
+CC(C)(C)[Si](C)(C)Oc1c(C2CC2)cc(OCC(OC)=O)c(C)c1
+CC(C)(C)[Si](C)(C)Oc1c(F)cccc1
+CC(C)(C)[Si](C)(C)Oc1c(cc(cc1CCC)CO)CCC
+CC(C)(C)[Si](C)(C)Oc1cc(Br)ccc1
+CC(C)(C)[Si](C)(C)Oc1cc(C(=C)c2cc(c(cc2)OC)C)ccc1
+CC(C)(C)[Si](C)(C)Oc1cc(C)c(c(c1)C)B(O)O
+CC(C)(C)[Si](C)(C)Oc1cc(OCc2cc(ccc2)OCc3ccccc3)c4cc(oc4c1)C(CBr)=O
+CC(C)(C)[Si](C)(C)Oc1cc2NC(Nc2cc1)=S
+CC(C)(C)[Si](C)(C)Oc1cc2[nH]ccc2cc1
+CC(C)(C)[Si](C)(C)Oc1cc2c(I)nn(c2cc1)C(=O)OC(C)(C)C
+CC(C)(C)[Si](C)(C)Oc1cc2ccc(nc2cc1)C=O
+CC(C)(C)[Si](C)(C)Oc1cc2n(nc(N3C(=O)c4c(C3=O)cccc4)c2cc1)C(OC(C)(C)C)=O
+CC(C)(C)[Si](C)(C)Oc1ccc(-c2cccc(C=O)c2)cc1C(C)(C)CC
+CC(C)(C)[Si](C)(C)Oc1ccc(C(c2cc(OC)cc(c2)OC)=O)cc1OC
+CC(C)(C)[Si](C)(C)Oc1ccc(OCc2ccccc2)cc1C
+CC(C)(C)[Si](C)(C)Oc1ccc(c(CO)c1)Br
+CC(C)(C)[Si](C)(C)Oc1ccc(c(N)c1)N
+CC(C)(C)[Si](C)(C)Oc1ccc(c2c1cccc2)C#CCCNC(=O)OCc3ccccc3
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)B(O)O
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)Br
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)CC(OC)C(O)=O
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)CCCS(=O)(=O)O
+CC(C)(C)[Si](C)(C)Oc1ccc(cc1)I
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(nn2C3CCCCO3)C(=O)OC
+CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)ccc(c2)C=O
+CC(C)(C)[Si](C)(C)Oc1ccc2c(nc(-c3ccc(cc3)[N+](=O)[O-])cn2)c1
+CC(C)(C)[Si](C)(C)Oc1cccc(S)c1
+CC(C)(C)[Si](C)(C)Oc1cccc2cc[nH]c12
+CC(C)(C)[Si](C)(C)Oc1cccc2ccc(-c3n4c(nn3)ccc(c4)Br)nc12
+CC(C)(C)[Si](C)(C)Oc1cccc2ccc(nc12)-c3n4c(nn3)cccc4
+CC(C)(C)c1[nH]c2ccc(N)cc2c1
+CC(C)(C)c1[nH]nc(c1[N+]([O-])=O)C(O)=O
+CC(C)(C)c1c(CC(C)=C)c(O)cc(C(C)(C)C)c1OC(C)=O
+CC(C)(C)c1c(CC(OC)OC)c2c(cc([N+]([O-])=O)cc2)[nH]1
+CC(C)(C)c1c(N(C)C)c(cc(Br)c1)Cl
+CC(C)(C)c1c(O)ccc(C(=O)O)c1
+CC(C)(C)c1c(OC(C)=O)c(cc(OC(=O)C)c1)C
+CC(C)(C)c1c(OC)c(C=Cc2ccc(cc2C(O)=O)NS(=O)(=O)C)cc(c1)N3C(=O)NC(C=C3)=O
+CC(C)(C)c1c(OC)cc(CSC)c(c1)Br
+CC(C)(C)c1c(OC)cccc1
+CC(C)(C)c1c(c(-c2nc3cc(-c4c(cccc4)C(F)(F)F)nc(c3[nH]2)OCCO[Si](C)(C)C(C)(C)C)n(n1)C)Cl
+CC(C)(C)c1c(c(C(C)(C)C)c(C)c(OC2OCCCC2)c1)O
+CC(C)(C)c1c(c(C(c2ccccc2)=O)ccc1)OCc3ccccc3
+CC(C)(C)c1c(c(N)cc(n1)C=O)F
+CC(C)(C)c1c(c(cc(c1)C(=O)OC)C#N)OC
+CC(C)(C)c1c(cc(cc1)OC(OC(C)(C)C)=O)O
+CC(C)(C)c1c(ccc(CC(C(OC)=O)NC)c1)O
+CC(C)(C)c1c(ccc(c1)Br)N2CCCCC2
+CC(C)(C)c1c(cccc1)N
+CC(C)(C)c1c2OCC(C)(C)c2cc(c1)Br
+CC(C)(C)c1cc(C#N)cc2C(C)(C)COc12
+CC(C)(C)c1cc(C(=O)O)n[nH]1
+CC(C)(C)c1cc(C)c(c(c1O)C)CCl
+CC(C)(C)c1cc(CSC)c(c(Cl)c1)N
+CC(C)(C)c1cc(N)[nH]n1
+CC(C)(C)c1cc(N)c(OC)c(c1)NS(=O)(=O)C
+CC(C)(C)c1cc(N)n(n1)-c2ccc(cc2)C(OC)=O
+CC(C)(C)c1cc(N)no1
+CC(C)(C)c1cc(N=C=O)no1
+CC(C)(C)c1cc(NC(=O)OCC(Cl)(Cl)Cl)n(C)n1
+CC(C)(C)c1cc(NC(=O)Oc2ccccc2)no1
+CC(C)(C)c1cc(NC(C(F)(F)F)=O)c([N+](=O)[O-])cc1
+CC(C)(C)c1cc(NC(Nc2ccc(cc2)C)=O)c(C(N)=O)s1
+CC(C)(C)c1cc(O)ccc1OC(C(C)(C)C)=O
+CC(C)(C)c1cc(OCCOC)cc(C(N(C)OC)=O)c1
+CC(C)(C)c1cc([N+](=O)[O-])c(O)c(Cl)c1
+CC(C)(C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])OC
+CC(C)(C)c1cc([N+]([O-])=O)c(c(c1)C=O)OC
+CC(C)(C)c1cc(c(C)cc1SC#N)O
+CC(C)(C)c1cc(c(cc1)S(C)=O)N
+CC(C)(C)c1cc(c(cc1O)C(C2CCCCCC2)O)O
+CC(C)(C)c1cc(cc(Br)c1)O
+CC(C)(C)c1cc(cc(C(=O)O)c1)Br
+CC(C)(C)c1cc(cc(C(=O)OC)c1)C(=O)N
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)-c2c([nH]c(C(=O)OC)c2)CC3CCCCC3
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)B(O)O
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)CBr
+CC(C)(C)c1cc(cc(C(C)(C)C)c1)N
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C=C
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)C=O
+CC(C)(C)c1cc(cc(C(C)(C)C)c1O)OC
+CC(C)(C)c1cc(cc(Cl)n1)C(=O)OC
+CC(C)(C)c1cc(ccc1)Br
+CC(C)(C)c1cc(ccc1)C(CC(OCC)=O)=O
+CC(C)(C)c1cc(ccc1)N
+CC(C)(C)c1cc(ccc1)O
+CC(C)(C)c1cc(ccc1C2(CC2)OCC)OS(=O)(=O)C(F)(F)F
+CC(C)(C)c1cc(ccc1OC(OC)=O)Br
+CC(C)(C)c1cc(n(-c2ccnc(n2)Cl)n1)N
+CC(C)(C)c1cc(n(n1)C)N
+CC(C)(C)c1cc(nn1C)N
+CC(C)(C)c1cc(no1)NC(=O)Nc2cc(ccc2)S
+CC(C)(C)c1cc(no1)Nc2n(c3ccc(cc3n2)Nc4nc(ncc4)Cl)C
+CC(C)(C)c1cc2c(CC(C)C2=O)cc1OCC(C)C
+CC(C)(C)c1cc2c(c(F)c1)c(O)nnc2
+CC(C)(C)c1cc2n(C(C(CC(=O)OC)C(C)=N2)=O)n1
+CC(C)(C)c1ccc(C(O)=O)cc1[N+](=O)[O-]
+CC(C)(C)c1ccc(CC(O)=O)c(OC)c1
+CC(C)(C)c1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1
+CC(C)(C)c1ccc([N+](=O)[O-])c(c1)SC(F)(F)F
+CC(C)(C)c1ccc(c(Br)c1)N
+CC(C)(C)c1ccc(c(N)c1)N
+CC(C)(C)c1ccc(c(N)c1)O
+CC(C)(C)c1ccc(c(Oc2scc(C(O)=O)n2)c1)C
+CC(C)(C)c1ccc(c(S(=O)(=O)Cl)c1)OC
+CC(C)(C)c1ccc(c(c1)C=O)O
+CC(C)(C)c1ccc(cc1)-c2c(OCOC)c(C(=O)OCC)cs2
+CC(C)(C)c1ccc(cc1)-c2c(cc(cc2C)O)C
+CC(C)(C)c1ccc(cc1)-c2oc3c(cccc3N4CCNCC4)n2
+CC(C)(C)c1ccc(cc1)B(O)O
+CC(C)(C)c1ccc(cc1)C
+CC(C)(C)c1ccc(cc1)C(=O)C=O
+CC(C)(C)c1ccc(cc1)C(=O)Cl
+CC(C)(C)c1ccc(cc1)C(CCCCl)=O
+CC(C)(C)c1ccc(cc1)C(Cn2nc(C(OCC)=O)cc2C(=O)OCC)=O
+CC(C)(C)c1ccc(cc1)C=2N(C)N(C(=O)C=2C(OCC)=O)c3ccc(cc3)C#N
+CC(C)(C)c1ccc(cc1)C=O
+CC(C)(C)c1ccc(cc1)CBr
+CC(C)(C)c1ccc(cc1)CC#N
+CC(C)(C)c1ccc(cc1)CCl
+CC(C)(C)c1ccc(cc1)CN
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(C)C(CCCc3ccc(c(c3)C)O)C2
+CC(C)(C)c1ccc(cc1)CN2C(=O)N(CCC2)Cc3ccc(cc3)[N+](=O)[O-]
+CC(C)(C)c1ccc(cc1)CN2c3c(NC2=O)cccc3
+CC(C)(C)c1ccc(cc1)CNC(CC(C)=O)=O
+CC(C)(C)c1ccc(cc1)COc2cc(C(=O)O)ccc2
+CC(C)(C)c1ccc(cc1)CS
+CC(C)(C)c1ccc(cc1)N
+CC(C)(C)c1ccc(cc1)N=C=O
+CC(C)(C)c1ccc(cc1)NN
+CC(C)(C)c1ccc(cc1)O
+CC(C)(C)c1ccc(cc1)Oc2c3c(cccc3)[nH]c2C(OCC)=O
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Cl
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N
+CC(C)(C)c1ccc(cc1)S(=O)(=O)N(c2ccc(N)nc2)CC(=O)O
+CC(C)(C)c1ccc(cc1)[Mg]Br
+CC(C)(C)c1ccc(cc1NC(=O)CC2c3ccccc3Oc4ccccc24)CCC(OCC)=O
+CC(C)(C)c1ccc2C(O)CCOc2c1
+CC(C)(C)c1ccc2c(NC(=O)CO2)c1
+CC(C)(C)c1ccc2cc(Br)ccc2c1
+CC(C)(C)c1cccc(C(=O)C)c1OCc2ccccc2
+CC(C)(C)c1cccc(C(C)(C)C)c1
+CC(C)(C)c1cccc(C(C)(C)C)c1O
+CC(C)(C)c1cccc(CN2C(=O)OC3C2CS(=O)(=O)CC3Cc4cc(c(c(c4)F)N)CC)c1
+CC(C)(C)c1ccccc1
+CC(C)(C)c1ccccc1Br
+CC(C)(C)c1ccccc1CCO
+CC(C)(C)c1ccccc1O
+CC(C)(C)c1ccnc(c1)-n2c3c(c4c2cccc4)ccc(Br)c3
+CC(C)(C)c1ccncc1
+CC(C)(C)c1n[nH]cc1C=O
+CC(C)(C)c1nc(-c2cc3c(ccc(c3)C=CC(=O)OCC)o2)sc1
+CC(C)(C)c1nc(-c2oc3c(c2)cc(Cn4c5c(cc(OCc6ccccc6)cc5)c(c4)C#N)cc3)sc1
+CC(C)(C)c1nc(-c2oc3ccc(cc3c2)C=O)sc1
+CC(C)(C)c1nc(C2CC2)cc(O)n1
+CC(C)(C)c1nc(c2c([nH]cc2)n1)Cl
+CC(C)(C)c1nc(cc(O)n1)C2CCC2
+CC(C)(C)c1nc(ccc1)N
+CC(C)(C)c1nc2c(o1)c(S(=O)(=O)N(OC)C)c(cc2)Cl
+CC(C)(C)c1nc2c(s1)cc([N+]([O-])=O)c(N3CCN(CC3)C)c2
+CC(C)(C)c1nccc(c1)-c2scc(Br)c2
+CC(C)(C)c1nn(-c2cc(ccc2)Cl)c(CN)c1
+CC(C)(C)c1nn(-c2ccc(cc2)C)c(c1)NC(NCc3c(O)ccc(F)c3)=O
+CC(C)(C)c1nn(-c2ccc(cc2)CC(OCC)=O)c(c1)N
+CC(C)(C)c1nn(-c2ccccc2)c(c1)N
+CC(C)(C)c1nn(c(C(O)=O)c1)C
+CC(C)(C)c1nn(c(C(OCC)=O)c1Cl)C
+CC(C)(C)c1oc(cc1)C=C
+CC(C)(C)c1oc(nn1)-c2nc(-c3[nH]c(nn3)C4CCN(CC4)C(=O)OC(C)(C)C)cnc2N
+CC(C)(C)c1sc(C=O)cc1
+CC(C)(C)c1sc(N)nn1
+CC(C)(C)c1sc(cc1)S(=O)(=O)Cl
+CC(C)(C)c1sc2cc([N+](=O)[O-])c(Cl)cc2n1
+CC(C)(C)n1c2c(cc1)cnc(N)n2
+CC(C)(C)n1cc(C(OCC)=O)c(Cl)n1
+CC(C)(C)n1nc(C)cc1N
+CC(C)(C)n1nc(CO)cc1CC(C)C
+CC(C)(C)n1ncc(C(=O)OCC)c1Cl
+CC(C)(C)n1ncc(c1Br)C(OCC)=O
+CC(C)(C1=C(C(C(C)=C(C1=O)C)=O)C)CC(O)=O
+CC(C)(C=O)CO
+CC(C)(CC(=O)OC)NC(OCc1ccccc1)=O
+CC(C)(CC(=O)OCC)CC=O
+CC(C)(CC(C(O)=O)=O)c1cccc(F)c1
+CC(C)(CC(C)=O)O
+CC(C)(CC(O)=O)N
+CC(C)(CC(O)=O)O
+CC(C)(CC)C(=O)C(N1CCCC1C(OC)=O)=O
+CC(C)(CC)CC(CN)O
+CC(C)(CC)CCBr
+CC(C)(CC)Cc1cn(S(=O)(=O)N(C)C)c(C(Cc2ccc(cc2)Br)(C)O)n1
+CC(C)(CC)N
+CC(C)(CC)c1c(ccc(C(C)(C)CC)c1)OCC(=O)Cl
+CC(C)(CC)c1cc(C(C)(C)CC)c(OC(C(Cl)=O)CC)cc1
+CC(C)(CC1(CCN(C(O1)=O)C(C)c2ccc(cc2)Br)c3ccccc3)C#N
+CC(C)(CC1COC(=O)N1)O
+CC(C)(CC=C)C=COC
+CC(C)(CCC(O)=O)C(=O)O
+CC(C)(CCC(OCc1ccc(cc1)OC)=O)NC(OCc2ccc(cc2)[N+](=O)[O-])=O
+CC(C)(CCC)CC(OCC)=O
+CC(C)(CCCC(C)CC=CC(=CC(OCC)=O)C)OC
+CC(C)(CCCC)Cl
+CC(C)(CCCCBr)C(=O)OC
+CC(C)(CCCCCC)C(O)=O
+CC(C)(CCCCCl)O
+CC(C)(CCCN)CO
+CC(C)(CCCc1cccc(Br)c1)O
+CC(C)(CCCl)CO
+CC(C)(CCN)O
+CC(C)(CCN1c2ccccc2NC1=O)O
+CC(C)(CCO)C(=O)O
+CC(C)(CCl)O
+CC(C)(CF)C(=O)C
+CC(C)(CF)N
+CC(C)(CN(C)C)CN
+CC(C)(CN(C)c1cccc(Br)n1)O
+CC(C)(CN)CC(=O)O
+CC(C)(CN)CN
+CC(C)(CN)O
+CC(C)(CN1C(=C(C(=O)N1c2ccccc2)C(=O)OCc3ccccc3)C)O
+CC(C)(CN1C(c2ccc(cc2C(C=O)=C1)Br)=O)CO
+CC(C)(CN1c2c(cc(Cl)cc2)C(OC(C1=O)CC(=O)O)c3c(OC)c(ccc3)OC)COC(=O)C
+CC(C)(CNC(C)Cc1c[nH]c2ccccc12)F
+CC(C)(CNc1c2c(ncc1NC(=O)COCC)cc(Br)cn2)O
+CC(C)(CO)C(OC)=O
+CC(C)(CO)CC=C
+CC(C)(CO)CN
+CC(C)(CO)CO
+CC(C)(CO)S(=O)(=O)CCN
+CC(C)(COC1CCCCO1)CCCCBr
+CC(C)(COC1CCOC1)C(OC)=O
+CC(C)(Cc1cc(Cl)ccc1)CC(C(=O)O)=O
+CC(C)(Cl)C#C
+CC(C)(Cl)CCC(C)(C)Cl
+CC(C)(Cn1c(nc2c1c3c(cccc3)nc2)CCl)O
+CC(C)(Cn1c2c(cnc3c2nccc3)nc1CCl)O
+CC(C)(Cn1c2c(cnc3cccnc23)nc1CO)F
+CC(C)(Cn1c2c3c(ncc2nc1CO)cc(OCc4ccccc4)cc3)O
+CC(C)(Cn1cnc(Br)c1)O
+CC(C)(F)C(O)=O
+CC(C)(N)C#N
+CC(C)(N)C(O)=O
+CC(C)(N)CC(=O)OCC
+CC(C)(N)CCF
+CC(C)(N)CN
+CC(C)(N)CO
+CC(C)(N)COC
+CC(C)(N)CS
+CC(C)(N)Cc1c2ccc(cc2[nH]c1)C
+CC(C)(N)Cc1c[nH]c2ccccc12
+CC(C)(N)c1cc(Br)ccc1
+CC(C)(N)c1ccc2occc2c1
+CC(C)(NC(=O)C(Br)COC)C#CC
+CC(C)(NC)CC(=O)OCC
+CC(C)(NCCC=C)C#N
+CC(C)(NN)CC
+CC(C)(O)C#CC(OCC)=O
+CC(C)(O)C#Cc1c(C)ncc(N)c1
+CC(C)(O)C(C)N
+CC(C)(O)C(O)=O
+CC(C)(O)C(c1ccc(nc1)C=O)O
+CC(C)(O)C1C(C)NCC1
+CC(C)(O)c1c(ccc(Br)c1)N
+CC(C)(O)c1c2ncc(-c3ccnc(n3)SC)n2ccc1
+CC(C)(O)c1cc(F)c(c(F)c1)-c2sc(c(c2)C(=O)N)N
+CC(C)(O)c1cc(cnc1)C(=O)OC
+CC(C)(O)c1cc(nc(C)c1)Cl
+CC(C)(O)c1cc2c(c3c([nH]2)c(cc(C#N)c3Br)C(=O)N)cc1
+CC(C)(O)c1ccc2C(NCCc2c1)=O
+CC(C)(O)c1ccc2c([nH]c3c(C(N)=O)ccc(Br)c23)c1
+CC(C)(O)c1ccc2c3c(c(cc(Cl)c3Br)C(N)=O)[nH]c2c1
+CC(C)(OC(=O)c1c(Cl)ccc(N)c1)C(OCC)=O
+CC(C)(Oc1c(cc(O)c(OC)c1)C)C(=O)OC
+CC(C)(Oc1cc(C#N)ccc1)C(OCC)=O
+CC(C)(Oc1cc(ccc1)C(=O)O)C(OCC)=O
+CC(C)(Oc1ccc(cc1C)O)C(OCC)=O
+CC(C)(Oc1cccc(O)c1)C(OCC)=O
+CC(C)([N+]([O-])=O)COS(=O)(=O)C
+CC(C)([N+]([O-])=O)Cc1c2cccc(OCc3ccccc3)c2[nH]c1
+CC(C)(c1c(Br)cc(cc1)C)OCOCC
+CC(C)(c1c(cccc1)Br)C#N
+CC(C)(c1c(cccc1OC)C)O
+CC(C)(c1c2c(CCO2)ccc1)CC(O)=O
+CC(C)(c1cc(Br)ccc1)C#N
+CC(C)(c1cc(C(=O)OC)ccc1)C#N
+CC(C)(c1cc(C(C)(C)CC)c(cc1)Oc2ccc(cc2C(=O)OC)OC)CC
+CC(C)(c1cc(c(cc1)Cl)Cl)C=2N(c3ccc(cc3)F)C(NC=2)=S
+CC(C)(c1cc(ccc1)F)C#N
+CC(C)(c1cc2c(OCc3ncccc3C2=CCCBr)cc1)O
+CC(C)(c1cc2ccccc2[nH]1)C(=O)OCC
+CC(C)(c1cc2cccnc2c(-c3cc(ccc3)CC(c4ccc(cc4)SC)C(=O)OC)c1)S(=O)(=O)C
+CC(C)(c1ccc(F)c(OC)c1)C(=O)OC
+CC(C)(c1ccc(c(C)c1)C(C)=O)C#N
+CC(C)(c1ccc(cc1)C=O)CC
+CC(C)(c1ccc(cc1)Cl)C=C(F)CO
+CC(C)(c1ccc(cc1)F)C(OC)=O
+CC(C)(c1ccc(cc1)S(=O)(=O)Cl)CC
+CC(C)(c1ccc(cc1)[N+](=O)[O-])COCCOC
+CC(C)(c1ccc(nc1)C2CC2CO)O
+CC(C)(c1cccc(c1)C(=O)Nc2cccc(O)c2)C#N
+CC(C)(c1ccccc1)C(N)CO
+CC(C)(c1ccccn1)N
+CC(C)(c1nc(CO)ccc1)O
+CC(C)(c1nc2cc(cc(C)n2c1CC3CCC(CC3)(F)F)C#N)O
+CC(C)(c1ncccc1Br)C#N
+CC(C)(c1nnc(C2CC2)o1)c3cncc(Br)c3
+CC(C)(c1sccc1)C(NN)=O
+CC(C)=C
+CC(C)=C(B(O)O)C
+CC(C)=CC
+CC(C)=CC(=O)Cl
+CC(C)=CC(=O)O
+CC(C)=CCBr
+CC(C)=CCC(C(C)O)C(=O)OC
+CC(C)=CCC(C)(c1ccccc1)C=O
+CC(C)=CCC1OC1(C)C2C(CCC(C2OC)O)(O)CSCc3ccccc3CO
+CC(C)=CCCC(=CCCC(=CCCC(=CCSCCN)C)C)C
+CC(C)=CCCC(=CCCC(C)=O)C
+CC(C)=CCCC(C)=CCCC(=CCCC(OC)=O)C
+CC(C)=CCCC(C)=O
+CC(C)=CCCC(C)CCO
+CC(C)=CCCC(CC=CC(=CC(=O)OC)C)C
+CC(C)=CCCC1(CC1CO)C
+CC(C)=CCCC=1CCC(CC=1)CC(O)=O
+CC(C)=CCCn1ccnc1[N+]([O-])=O
+CC(C)=CCOCCCCO
+CC(C)=CCOc1cc(O)c(C(=O)C)cc1
+CC(C)=CCn1c(nc2c1C(=O)NC(=O)N2C)Cl
+CC(C)=NO
+CC(C)=Nn1cnc2c1c3c(nc2)cccc3
+CC(C)=O
+CC(C)Br
+CC(C)C#C
+CC(C)C#CC(=O)OCc1ccccc1
+CC(C)C#N
+CC(C)C(=N)N
+CC(C)C(=N)NO
+CC(C)C(=O)C
+CC(C)C(=O)C(C(C(C)C)=O)CC(OC(C)(C)C)=O
+CC(C)C(=O)CC(OC)=O
+CC(C)C(=O)CC(OCC)=O
+CC(C)C(=O)CN
+CC(C)C(=O)NN
+CC(C)C(=O)O
+CC(C)C(=O)OC(=O)C(C)C
+CC(C)C(=O)OC1C(C)OC(=O)C(N)COCC1Cc2c3ccccc3ccc2
+CC(C)C(=O)OCC
+CC(C)C(=O)c1ccc(cc1)CBr
+CC(C)C(Br)C(=O)OCC
+CC(C)C(C(=O)NC(C(OC)=O)C(C)C)N
+CC(C)C(C(=O)O)C(=O)O
+CC(C)C(C(=O)O)N(C(=O)OCc1ccccc1)C
+CC(C)C(C(=O)OC)NS(=O)(=O)c1ccc(cc1)Br
+CC(C)C(C(C)C)(P(O)(O)=O)OOC(CN=[N+]=[N-])COCc1ccccc1
+CC(C)C(C(O)C(O)=O)N
+CC(C)C(C(OC)=O)N1Cc2c(ccc(c2)-c3ccc(cc3)[N+]([O-])=O)C1=O
+CC(C)C(CBr)=O
+CC(C)C(CC#N)=O
+CC(C)C(CC(C(=O)OCC)N)Cc1ccc2c(c1)c(OCCOC)ccc2
+CC(C)C(CC(Nc1cc(Cl)c(cc1)C#N)=O)C[N+]([O-])=O
+CC(C)C(CNCCO)O
+CC(C)C(CNc1c(c(C(C)C)ccc1)O)Br
+CC(C)C(CO)N
+CC(C)C(CO)N1c2c(C(=O)C(C(OCC)=O)=C1)cc(Br)c(c2)OC
+CC(C)C(CO)NC
+CC(C)C(COCC=C)N
+CC(C)C(Cl)=O
+CC(C)C(Cl)OC(Cl)=O
+CC(C)C(N)(C(N)=O)C
+CC(C)C(N)=S
+CC(C)C(N)C(=O)O
+CC(C)C(N)C(=O)OC
+CC(C)C(NC(=O)OC)C(=O)N1C(CCC1C(=O)OCC)C
+CC(C)C(NC(=O)OC)C(N1C(CC(C1)=O)C(=O)OC)=O
+CC(C)C(NCc1cc(NN)c(Cl)cc1)=O
+CC(C)C(O)CN
+CC(C)C(OC)=O
+CC(C)C(c1cc([N+](=O)[O-])c(cc1)Cl)=O
+CC(C)C(c1cc(ccc1N)O)=O
+CC(C)C(c1ccc(cc1)F)=O
+CC(C)C1=C(C)NC(=S)NC1=O
+CC(C)C1=CCC(C)(C)c2c1cc(C(C)=C(F)C(=O)OCC)c(OC(C)C)c2Br
+CC(C)C1=Nc2cc([N+]([O-])=O)ccc2C(=O)N1c3ccc(cc3)Cl
+CC(C)C1C(C(O)=O)CC(C)CC1
+CC(C)C1C(CC(C)CC1)OP(Cl)Cl
+CC(C)C1C(N(CC(=O)OCC)C(c2ccccc2)=CN1C(C)=O)=O
+CC(C)C1C2CCC1C3C(N)CCCC23
+CC(C)C1CCC(CC1)O
+CC(C)C1CCC(CC1OC(Cl)=O)C
+CC(C)C1COC(=O)N1c2ccnc(F)n2
+CC(C)C1NC(C(C)(C)NC1)=O
+CC(C)C1NCCNC1
+CC(C)C=1C(=O)NC(NC=1C(c2cc(C#N)cc(C)c2)=O)=O
+CC(C)C=1C(=O)n2c(ccn2)NC=1C
+CC(C)C=1OC(C=C(O)C=1)=O
+CC(C)C=1Oc2c(ccc(c2[N+]([O-])=O)NCc3ccc(cc3)OC)C(C=1Br)=O
+CC(C)C=O
+CC(C)CBr
+CC(C)CC(=O)CCC
+CC(C)CC(=O)CN
+CC(C)CC(=O)Cl
+CC(C)CC(=O)c1ncc(C(OC)=O)cc1
+CC(C)CC(=S)N
+CC(C)CC(Br)C
+CC(C)CC(C#N)NC(=O)C1CCCCC1N
+CC(C)CC(C(=O)OC)Nc1c(c2c(C(=O)N(Cc3ccc(OC)cc3OC)C2)c(Cl)n1)F
+CC(C)CC(C(C(OC)=O)O)C(=O)O
+CC(C)CC(C(O)=O)Br
+CC(C)CC(C(O)=O)CSC(=O)C
+CC(C)CC(C(O)=O)N
+CC(C)CC(C(O)=O)NC(c1cc2ccccc2s1)=O
+CC(C)CC(C(O)CC(=O)OC)N
+CC(C)CC(C(OC)=O)CC(=O)O
+CC(C)CC(C(OCC)=O)C(C)=O
+CC(C)CC(C)(CN)N
+CC(C)CC(C)=CCCC(C=C)(O)CC
+CC(C)CC(C)=O
+CC(C)CC(C=O)NC(OCc1ccccc1)=O
+CC(C)CC(CO)N
+CC(C)CC(N)C(=O)N
+CC(C)CC(N)C(C=C(C(=O)OCC)CCOC1CCCCO1)O
+CC(C)CC(N)C(OC)=O
+CC(C)CC(N1c2c(cc(cc2)I)C(C(C(=O)OCC)=C1)=O)CO
+CC(C)CC(NC(=O)C(CP(=O)(OCC)CN)CC(C)C)C(NC)=O
+CC(C)CC(NC(C(CC(C)C)CP(OC)(CN)=O)=O)C(NC)=O
+CC(C)CC(NC(C(N)CC#C)=O)C(OC)=O
+CC(C)CC(O)=O
+CC(C)CC(O)C(=O)O
+CC(C)CC(Sc1ccc(cc1)Br)c2ccc(cc2)C(=O)OC
+CC(C)CC(c1cc(O)ccc1N)=O
+CC(C)CC(c1ccccc1N)C
+CC(C)CC1(CC(c2c(c(c(C)c(C)c2O1)O)C)=O)COc3ccc(cc3)[N+](=O)[O-]
+CC(C)CC=1CC(C)C(CC=1)C=O
+CC(C)CC=O
+CC(C)CCBr
+CC(C)CCCBr
+CC(C)CCCC(CC=O)C
+CC(C)CCCC(CCCC(C)=CCCC(=O)OC)C
+CC(C)CCCC(CCO)C
+CC(C)CCI
+CC(C)CCN
+CC(C)CCN(C1C(C2CC1CC2)C(=O)OCC)C(=O)CC=3NS(=O)(=O)c4cc(ccc4N=3)NS(=O)(=O)C
+CC(C)CCN1C(=O)C(=C(c2cc(cn12)F)O)C(OCC)=O
+CC(C)CCN1C(=O)C(=C(c2ccccc12)O)C#N
+CC(C)CCN1C(C(=C(O)c2n1cc(C#N)c2)C(OCC)=O)=O
+CC(C)CCNC(=O)c1ccc(nn1)Cl
+CC(C)CCNC(=S)N
+CC(C)CCNC1CC2(C(C(=O)O)CCC2C3CCC4CC(O)C(O)CC4(C13)C)C
+CC(C)CCNCCC(C)C
+CC(C)CCNCc1nc2n(cccc2)c1Cc3c(ccc(Br)c3)OC
+CC(C)CCO
+CC(C)CCON=O
+CC(C)CCS
+CC(C)CCS(=O)(=O)N
+CC(C)CC[Zn+]
+CC(C)CCn1c(CO)nc2cc(C(O)=O)ccc12
+CC(C)CCn1c(nc2cc(C#N)ccc12)CCl
+CC(C)CCn1c2c(nc1CN3c4ccccc4N(C3=O)C(C)C)c(ccc2)C(=O)OC
+CC(C)CI
+CC(C)CN
+CC(C)CN(CCCCC(=O)O)c1c(C=O)cc(cc1)Br
+CC(C)CN1C(=C(c2c(ccc(-c3sc(c(C)n3)C(OCC)=O)c2)C1=O)OCCCC)CNC(OCC4c5ccccc5-c6ccccc46)=O
+CC(C)CN1C(=CC(=O)NC1=O)Cl
+CC(C)CN1C(C(CO)=CC(c2cc(c(cc2)C)F)=N1)=O
+CC(C)CN=C=O
+CC(C)CN=C=S
+CC(C)CNC
+CC(C)CNC(C(C(N)CC)=O)=O
+CC(C)CNC(NCC(C)C)=O
+CC(C)CNCC(=O)OC
+CC(C)CNCC(C)C
+CC(C)CNN
+CC(C)CNc1c2n(cc(Br)n1)ccn2
+CC(C)CO
+CC(C)COC(=O)N1CCNCC1
+CC(C)COC(Cl)=O
+CC(C)COP(C)O
+CC(C)COc1c(-c2c(F)ccc(OC)c2)nc(OC)c(C(=O)OC)c1
+CC(C)COc1c(Br)ccc(C(=O)OC)n1
+CC(C)COc1c(C(c2ccc(c(CCC(=O)OCC)c2)OCC(C)C)=O)ccc(OCC(C)C)c1
+CC(C)COc1c(cc(C(Nc2cccc(OC)c2)=O)cc1)C#N
+CC(C)COc1c(cc(O)cn1)Cl
+CC(C)COc1c(cccc1)C(N)=N
+CC(C)COc1cc(ccc1C(=O)OC)B(O)O
+CC(C)CS
+CC(C)CS(=O)(=O)c1nc(C(O)=O)ccc1C2CC2
+CC(C)C[Mg]Br
+CC(C)C[Zn+]
+CC(C)C[Zn]Br
+CC(C)Cc1c(C(=O)OC)ccc(c1)B(O)O
+CC(C)Cc1c(OC)cc2OCc3c(n(nc3C(OCC)=O)-c4ccsc4)-c2c1
+CC(C)Cc1ccc(cc1)C(=O)O
+CC(C)Cc1ccc(cc1)C(C(=O)O)C
+CC(C)Cc1cccc2c1cccn2
+CC(C)Cc1ccccc1N
+CC(C)Cn1c2c(nc1CCl)c(N)nc3c2cccc3
+CC(C)I
+CC(C)N
+CC(C)N(C(C)C)CCCS
+CC(C)N(C(C)C)CCCl
+CC(C)N(C(C)C)P(OCC=C)OCC=C
+CC(C)N(c1ncccn1)c2ccc(cc2)I
+CC(C)N1C(=O)C=CC(=N1)c2nc(c(nc2-c3ccccc3)N)C(=O)N
+CC(C)N1C(=O)c2c(C1=O)cc(N)c(c2)[N+]([O-])=O
+CC(C)N1C(C(=Cc2c(C)cccc12)C(OCC)=O)=O
+CC(C)N1C(C(C(O)=O)=Cc2c1cccc2Cl)=O
+CC(C)N1C(C(C)(C)c2c1cc(cc2)Br)=O
+CC(C)N1C(N(C(=O)C1)c2c(F)cc(OC)cc2)=O
+CC(C)N1C(c2cc([N+](=O)[O-])ccc2C(Br)=N1)=O
+CC(C)N1C=C(c2c[n+](c(N)c(n2)C(N)=O)[O-])C=CC1=O
+CC(C)N1CC(CO)OC1=O
+CC(C)N1CC(O)CC1
+CC(C)N1CCC(CC1)O
+CC(C)N1CCC(CC1)Oc2c(Cl)cc3[nH]c(C(O)=O)cc3c2
+CC(C)N1CCNCC1
+CC(C)N1N=C(C=CC1=O)c2nc(c(nc2Cl)N=CN(C)C)C#N
+CC(C)N1N=C(c2ccc(C(OCC)=O)cc2C1=O)Br
+CC(C)N1c2c(C(=O)C1=O)cccc2
+CC(C)N1c2c(F)cc(cc2OC1=O)[N+]([O-])=O
+CC(C)N1c2c(cnc(SC)n2)C=C(C1=O)Br
+CC(C)N1c2ccccc2NC1=O
+CC(C)N=C=O
+CC(C)N=C=S
+CC(C)NC
+CC(C)NC(=O)CN
+CC(C)NC(=O)Cn1cc(Nc2nc(ccn2)O)cn1
+CC(C)NC(=O)c1c(Nc2c(F)cnc(n2)Cl)cccc1
+CC(C)NC(C)C
+CC(C)NC(CN1C(c2cc(Cl)ccc2)=Cc3c(cc(OC)cc3)C1=O)=O
+CC(C)NC(c1c(c(c(F)cc1)Br)F)=O
+CC(C)NC1CCC(CC1)C(=O)OC
+CC(C)NCCCN
+CC(C)NCCO
+CC(C)NCCc1ccc(c(OC)c1)OC
+CC(C)NCc1nc(-c2cnccc2)no1
+CC(C)NN
+CC(C)Nc1c(C(=O)OC)sc(Br)c1
+CC(C)Nc1c(cnc(Cl)c1)C(NN)=O
+CC(C)Nc1cc(C(O)=O)ccc1N
+CC(C)Nc1nc(C)cc(n1)C(O)=O
+CC(C)Nc1nc(nc(C)c1)SC
+CC(C)O
+CC(C)OB(OC(C)C)OC(C)C
+CC(C)OC(=N)Cc1c2c(cccc2)n(c1)C
+CC(C)OC(=O)C(N)C
+CC(C)OC(=O)CCc1c(c2c(ccc(F)c2)[nH]1)C
+CC(C)OC(=O)COc1cccc(C=O)c1
+CC(C)OC(=O)NC1CC(N(C(=O)C)c2ccc(Br)cc12)C
+CC(C)OC(=O)c1cc2cc(CCCC)cn2cc1
+CC(C)OC(=O)c1ccc2c(c1)ncn2-c3cc(Br)ccc3
+CC(C)OC(C(=CN(C)C)C(C)=O)=O
+CC(C)OC(CBr)=O
+CC(C)OC(COc1cccc(N)c1)=O
+CC(C)OC(Cl)=O
+CC(C)OC(NC1c2c(N(C(C)=O)C(C1)C)ccc(-c3ccc(cc3)C(=O)OCC)c2)=O
+CC(C)OC(c1cnc(c(c1)Cl)OC(C)C)=O
+CC(C)OC1CC=C(CC1)c2onc(c2C)C(=O)OCC
+CC(C)OC1CCC(CC1)N2CCC(CC2)N
+CC(C)OCC(CC)O
+CC(C)OCC1COC(C)(C)O1
+CC(C)OCCCN
+CC(C)OCCl
+CC(C)ON
+CC(C)ON=C(c1csc(n1)NC=O)C(O)=O
+CC(C)OS(=O)(=O)C
+CC(C)Oc1c(Br)cc(-c2nc(-c3ccc(cc3)C=O)on2)cc1
+CC(C)Oc1c(C#N)cc(-c2sc(cn2)-c3cccc(C=CC(=O)OCC)c3CC)cc1
+CC(C)Oc1c(C#N)cc(C(O)=O)cc1
+CC(C)Oc1c(C)c(C(=O)O)c(OCc2ccccc2)cn1
+CC(C)Oc1c(Cl)cc(B(O)O)cc1
+CC(C)Oc1c(Cl)cc(O)cn1
+CC(C)Oc1c(I)cc(cc1)C#N
+CC(C)Oc1c(c2C(NCCc2cn1)=O)Cl
+CC(C)Oc1c(cc(C(=O)O)cn1)Cl
+CC(C)Oc1c(cc(c(Cl)c1)C(N)=NO)I
+CC(C)Oc1c(cc(c(c1)C=O)I)OC
+CC(C)Oc1cc(Br)c2ccncc2c1C
+CC(C)Oc1cc(C#N)cc(Br)c1
+CC(C)Oc1cc(C(=O)OC)ccc1Br
+CC(C)Oc1cc(C=O)c(cc1OC)Br
+CC(C)Oc1cc(c(F)cc1Cl)NC(N)=O
+CC(C)Oc1cc(cc(OCc2ccccc2)c1)C(Nc3ncc(C(=O)OC)cc3)=O
+CC(C)Oc1cc(ccc1)C(=O)CBr
+CC(C)Oc1cc(ccc1)CBr
+CC(C)Oc1ccc(-c2nc(-c3c4c(cc[nH]4)ccc3)no2)cc1Cl
+CC(C)Oc1ccc(C(=O)O)cc1Cl
+CC(C)Oc1ccc(CCl)cc1C#N
+CC(C)Oc1ccc(Cl)cc1Cl
+CC(C)Oc1ccc(nc1)COC(C)=O
+CC(C)Oc1ccccc1-c2c(OC)cccc2C(=O)O
+CC(C)Oc1ccccc1B(O)O
+CC(C)Oc1ccccc1O
+CC(C)Oc1nn(c(CO)c1)Cc2c(cc(cc2)Cl)Cl
+CC(C)S
+CC(C)S(=O)(=O)N
+CC(C)S(=O)(=O)c1c(C#N)cc([N+](=O)[O-])cc1
+CC(C)S(=O)(=O)c1c(C2OCCCO2)ccc(c1)C#N
+CC(C)S(=O)(=O)c1c(cccc1)N
+CC(C)S(=O)(=O)c1cccc(c1)F
+CC(C)SC(C)(C)C(C(=O)O)N
+CC(C)SCCCCCCCCCCCC(O)=O
+CC(C)Sc1n(nnn1)-c2ccc(cc2)O
+CC(C)[Mg]Br
+CC(C)[Mg]Cl
+CC(C)[N+]([O-])=O
+CC(C)[SiH](C(C)C)Cl
+CC(C)[Si](C(C)C)(C(C)C)C#Cc1ccc2c(c1)C(CC(N2C(=O)C)C)N
+CC(C)[Si](C(C)C)(C(C)C)Cl
+CC(C)[Si](C(C)C)(C(C)C)OCC(C(=O)OC)c1ccccc1
+CC(C)[Si](C(C)C)(C(C)C)OCC1CCC(CC1)O
+CC(C)[Si](C(C)C)(C(C)C)OCc1c(oc(C(OC)=O)c1)C
+CC(C)[Si](C(C)C)(C(C)C)OCc1ccc(cc1)C(C(=O)O)CNC(=O)OC(C)(C)C
+CC(C)[Si](C(C)C)(C(C)C)OCc1nonc1C(Nc2cc(c(cc2)F)Cl)=NO
+CC(C)[Si](C(C)C)(C(C)C)OS(=O)(=O)C(F)(F)F
+CC(C)[Si](C(C)C)(C(C)C)Oc1c(cc(cc1F)CC(CCc2ccc(cc2)C#N)C(=O)O)F
+CC(C)[Si](C(C)C)(C(C)C)c1oc(B2OC(C)(C)C(C)(C)O2)cn1
+CC(C)[Si](C(C)C)(C(C)C)n1c(-c2ccc(cc2)F)c(c(c1)Br)-c3cc(F)ncc3
+CC(C)[Si](C(C)C)(C(C)C)n1c2c(c(Nc3ccccc3)ccc2)cc1
+CC(C)[Si](C(C)C)(C(C)C)n1c2c(cc1)c(Cl)c(cn2)Br
+CC(C)[Si](C(C)C)(C(C)C)n1c2c(cc1)c(c(Br)cn2)F
+CC(C)[Si](C(C)C)(C(C)C)n1ccc2c1ncc(C(=O)OCc3ccccc3)c2
+CC(C)[Si](C(C)C)(C(C)C)n1ccc2c1ncc(Cl)c2F
+CC(C)[Si](C(C)C)(C(C)C)n1cccc1
+CC(C)[Si](C(C)C)(Cl)O[Si](C(C)C)(C(C)C)Cl
+CC(C)c1[nH]c2c(ccc(C(OCC)=O)c2)c1C=O
+CC(C)c1[nH]c2c(n1)cccc2
+CC(C)c1c(C(=O)OCC)c(c(c(C(C)C)n1)C(=O)OCC)-c2ccc(cc2)F
+CC(C)c1c(C(=O)OCC)cccn1
+CC(C)c1c(C(OC)=O)c(no1)CSc2c(cccc2Cl)Cl
+CC(C)c1c(C(OC)=O)nn(-c2ccc(cc2)F)c1C(OCc3ccccc3)=O
+CC(C)c1c(C)cc(cc1)N
+CC(C)c1c(C=CCCC)c(c(c(n1)C(C)C)CO)-c2ccc(cc2)SC
+CC(C)c1c(COc2ccc(Br)c(c2)C)c(no1)-c3c(cccc3Cl)Cl
+CC(C)c1c(Cl)ncnc1N
+CC(C)c1c(Cl)nnc(Cl)c1
+CC(C)c1c(O)c(C(=O)O)cc(c1)C(C)C
+CC(C)c1c(O)cccc1
+CC(C)c1c(O)ncc([N+](=O)[O-])c1
+CC(C)c1c(Oc2cnc(nc2O)N)cc(c(c1)OC)C
+CC(C)c1c(c2c([nH]nc2)cc1)B(O)O
+CC(C)c1c(c[nH]c1)C(=O)OC
+CC(C)c1c(cc(-c2ccnc(C=Cc3ccccc3)c2)[nH]1)C(OCC)=O
+CC(C)c1c(cc(OC)c(OC)c1)Cc2c(Cl)nc(nc2)SC
+CC(C)c1c(ccc(c1)[I+]c2ccc(OC)c(C(C)C)c2)OC
+CC(C)c1c(cn[nH]1)C(OCC)=O
+CC(C)c1c(cnc(Cl)c1)C(=O)O
+CC(C)c1c2c(c(C)ccc2C)nc(O)c1
+CC(C)c1c2cc(Br)cc(C#N)c2[nH]c1
+CC(C)c1c2nc(ncc2ccc1OC)O
+CC(C)c1c[nH]c(C(OC)=O)c1
+CC(C)c1cc(-c2csc3ccc(cc23)C(C)=CC(OC)=O)c(c(C(C)C)c1)OCOC
+CC(C)c1cc(Br)c(N)cc1
+CC(C)c1cc(C#N)ccc1
+CC(C)c1cc(C(=O)OCC)c(N)s1
+CC(C)c1cc(CC(O)=O)c(C)cc1OC
+CC(C)c1cc(I)c(OC)cc1F
+CC(C)c1cc(O)c(cc1)C
+CC(C)c1cc(OCC(=O)OCC)c(CCN)cc1
+CC(C)c1cc(cc(C(C)C)c1C(=O)Cl)C(C)C
+CC(C)c1cc(cc(C(C)C)c1N)Br
+CC(C)c1cc(cc(C(C)C)c1OC)C(O)=O
+CC(C)c1cc(cc2nc(-c3ccc(cc3)C(OC)=O)oc12)C#N
+CC(C)c1cc(ccc1)Br
+CC(C)c1cc(ccc1)O
+CC(C)c1cc(ccc1O)C#N
+CC(C)c1cc(ccc1Oc2c(N)nc(N)nc2)OC
+CC(C)c1cc(nc(Cl)n1)Cl
+CC(C)c1cc2c(o1)c(cc(c2)Cl)Cc3oc(C(=O)OC)cc3
+CC(C)c1ccc(C(=O)O)cn1
+CC(C)c1ccc(C(O)=O)c(O)n1
+CC(C)c1ccc(C(OC)=O)[nH]1
+CC(C)c1ccc(CC#N)c([N+]([O-])=O)c1
+CC(C)c1ccc(O)nn1
+CC(C)c1ccc(c(OC)n1)B(O)O
+CC(C)c1ccc(cc1)-c2c(cccc2C)C(=O)O
+CC(C)c1ccc(cc1)-c2n(c3c(OC)cc(C=O)cc3n2)CCOC
+CC(C)c1ccc(cc1)C(Cl)=O
+CC(C)c1ccc(cc1)C(c2c(O)c(C)c(C)cc2C)CO
+CC(C)c1ccc(cc1)CC(O)=O
+CC(C)c1ccc(cc1)I
+CC(C)c1ccc2c(c1)OCO2
+CC(C)c1cccc(C(C)C)c1-n2ccnc2-c3cccc(Br)c3
+CC(C)c1cccc(C(C)C)c1Br
+CC(C)c1cccc(C(C)C)c1N
+CC(C)c1cccc(C(C)C)c1N=Cc2nc(ccc2)Br
+CC(C)c1cccc(C(C)C)c1NC(C)(C)c2cccc(n2)Br
+CC(C)c1cccc(C(C)C)c1O
+CC(C)c1cccc(N)c1
+CC(C)c1cccc(c1)CN
+CC(C)c1cccc(c1N)C
+CC(C)c1ccccc1Br
+CC(C)c1ccccc1N
+CC(C)c1csc2c1c(Cl)ncn2
+CC(C)c1n(Cc2ccccn2)c3c(c1C(=O)O)ccc(OC)c3
+CC(C)c1n(Cc2occn2)c3cc(ccc3c1C=O)C(OCC)=O
+CC(C)c1n2cc(Sc3c(CO)cccc3)ccc2nn1
+CC(C)c1n[nH]cc1CCC(=O)OCC
+CC(C)c1nc(-c2c(Cl)cccc2F)oc1OCC
+CC(C)c1nc(C2CCNCC2)on1
+CC(C)c1nc(c(-c2c(C)cc(Br)cn2)cc1)OC
+CC(C)c1nc(cs1)CCl
+CC(C)c1ncc[nH]1
+CC(C)c1nnc2ccc(cn12)OC3CCC(c4c3cccc4)N
+CC(C)c1nnn(CC(=O)O)c1
+CC(C)n1c(-c2c(ccc([N+]([O-])=O)c2)OC)ccn1
+CC(C)n1c(N)ccn1
+CC(C)n1c(ncc1-c2c(cnc(Cl)n2)Cl)C
+CC(C)n1c(ncc1-c2ccnc(O)n2)C
+CC(C)n1c(ncc1-c2nc(N)ncc2F)C
+CC(C)n1c2c(c(C)n1)c(c(C(OCC)=O)c(-c3cc(O)ccc3)n2)Cl
+CC(C)n1c2c(cc(cc2)I)cn1
+CC(C)n1c2c(ccc(c2)C(=O)OC)cc1
+CC(C)n1c2c(cncc2)c(n1)C(=O)c3cc(Br)ncc3
+CC(C)n1c2cc(Br)cc(C(=O)OC)c2c(C=O)c1
+CC(C)n1c2nc(cc(c2cn1)C(=O)O)O
+CC(C)n1c2ncnc(c2c(I)c1)Cl
+CC(C)n1cc(-c2c(ncc(-c3ccc(C(O)=O)c(C)c3)c2)N)nn1
+CC(C)n1cnc(-c2sc3c(Cl)ccnc3c2)c1
+CC(C)n1cncc1C(=O)C=CN(C)C
+CC(C)n1nc(C)cc1N
+CC(C)n1nc(I)c(-c2ccnc(O)n2)c1
+CC(C)n1nc(c(c1)C(C)=O)I
+CC(C)n1nc(c2c(C(O)=O)cc(Cl)nc12)C
+CC(C)n1nc(c2c1cccc2)C(OC)=O
+CC(C)n1ncc2c(nc(nc12)-c3ccc(cc3)[N+](=O)[O-])O
+CC(C)n1ncnc1-c2nc3-c4ccc(cc4OCCn3c2)Br
+CC(CC(OC)=O)CC(=O)O
+CC(CC(OC)=O)CC(Cl)=O
+CC(CC)c1ccccc1O
+CC(CCC(C)=O)=O
+CC(CCCCCC(=O)O)C#N
+CC(CCCc1cc2c(cccc2)cc1)=O
+CC(NCCc1cc2c(OCO2)cc1)=O
+CC(Nc1c(OCC)cc2ncc(C#N)c(c2c1)Cl)=O
+CC(Nc1c2OCOc2c(cc1)C(OC)=O)=O
+CC(Nc1ccc(Br)c(Cl)c1C)=O
+CC(O)C(Oc1nc(Cl)ncc1Br)C
+CC(O)c1ccccc1C
+CC(O)c1ccccc1Cl
+CC(OC1CCC2C1(CCC3C4(CCC(CC4=CCC23)OC(=O)C)C)C)=O
+CC(c1c(Cl)ccc(F)c1Cl)c2c3c([nH]c2)ncc(c3)Br
+CC(c1c(cc2ncccc2c1F)F)C(OC)=O
+CC(c1cc(Cl)c(cc1)C#N)C(OC)=O
+CC(c1cc(F)c(cc1)C#N)(c2n(cnc2)C)N
+CC(c1cc(cc(c1)C(=O)O)[N+]([O-])=O)=O
+CC(c1ccc(F)c(F)c1)=O
+CC(c1cccc(C#N)c1)=O
+CC(c1cccc(C(=O)O)c1)C#N
+CC1(C(c2c(cccc2)C1)=O)C(OC)=O
+CC1(C)C(=O)C(C(=O)C(C)(C)O1)c2c(CC)ccc(-c3ccc(cc3)N)c2
+CC1(C)C(=O)N(C(=O)N1I)I
+CC1(C)C(=O)N(Cl)C(=O)N1Cl
+CC1(C)C(=O)N(c2c1cc(N)c([N+](=O)[O-])c2)CCCCC
+CC1(C)C(=O)N(c2c3c(-c4c(OC3=O)ccc(c4)Cl)ccc2N1)C
+CC1(C)C(=O)N2CC(CCC2C1)C(=O)OC
+CC1(C)C(=O)NOC1
+CC1(C)C(=O)Nc2c(CN1)cc(cn2)Br
+CC1(C)C(C(OCC)=O)CC1N
+CC1(C)C(C)(C)C1C(O)=O
+CC1(C)C(C)(C)OB(O1)B2OC(C)(C)C(C)(C)O2
+CC1(C)C(C)(C)OB(O1)C2=CC(C)(C)CC(C)(C)C2
+CC1(C)C(C)(C)OB(O1)C2=CCN(C(=O)OC(C)(C)C)CCC2
+CC1(C)C(C)(C)OB(O1)C=2CCC(C)(C)CC=2
+CC1(C)C(C)(C)OB(O1)C=2CCCCC=2
+CC1(C)C(C)(C)OB(O1)C=CCOC
+CC1(C)C(C)(C)OB(O1)OC
+CC1(C)C(C)(C)OB(O1)OC(C)C
+CC1(C)C(C)(C)OB(O1)c2c(C)ccs2
+CC1(C)C(C)(C)OB(O1)c2c(Cl)cc3c(c2)CC(N3)=O
+CC1(C)C(C)(C)OB(O1)c2c(F)cc(cc2F)C=O
+CC1(C)C(C)(C)OB(O1)c2c(F)cc(cc2F)N3CCOCC3
+CC1(C)C(C)(C)OB(O1)c2c(OC(F)F)cc(cc2)F
+CC1(C)C(C)(C)OB(O1)c2c(OCCOC)cncc2
+CC1(C)C(C)(C)OB(O1)c2c(cc(CO[Si](C)(C)C(C)(C)C)cc2)NC(=O)OC(C)(C)C
+CC1(C)C(C)(C)OB(O1)c2c(nn(c2C)C)C
+CC1(C)C(C)(C)OB(O1)c2c(onc2C)C
+CC1(C)C(C)(C)OB(O1)c2c3CCC(Oc4ccc5c(c4)OCC5CC(OC)=O)c3c(cc2)F
+CC1(C)C(C)(C)OB(O1)c2c3c([nH]nc3)ccc2
+CC1(C)C(C)(C)OB(O1)c2cc(-c3cn(nc3)C)ccc2
+CC1(C)C(C)(C)OB(O1)c2cc(-c3sc4ccccc4n3)ccc2
+CC1(C)C(C)(C)OB(O1)c2cc(C#N)c(N)nc2
+CC1(C)C(C)(C)OB(O1)c2cc(C)c(c(c2)C)O
+CC1(C)C(C)(C)OB(O1)c2cc(C)cc(N)c2
+CC1(C)C(C)(C)OB(O1)c2cc(C)cc(NC(=O)OC(C)(C)C)c2
+CC1(C)C(C)(C)OB(O1)c2cc(C=O)sc2
+CC1(C)C(C)(C)OB(O1)c2cc(Cl)cc(COC(C)C(F)(F)F)c2
+CC1(C)C(C)(C)OB(O1)c2cc(Cl)nc(Cl)c2
+CC1(C)C(C)(C)OB(O1)c2cc(S(=O)(=O)C=C)ccc2
+CC1(C)C(C)(C)OB(O1)c2cc([N+](=O)[O-])c(cc2)NC
+CC1(C)C(C)(C)OB(O1)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2
+CC1(C)C(C)(C)OB(O1)c2cc([N+]([O-])=O)c(N)cc2
+CC1(C)C(C)(C)OB(O1)c2cc([N+]([O-])=O)c(cc2)NC(OC(C)(C)C)=O
+CC1(C)C(C)(C)OB(O1)c2cc(c(cc2)[N+](=O)[O-])NC(=O)OC(C)(C)C
+CC1(C)C(C)(C)OB(O1)c2cc(c(nc2)N)OC(F)F
+CC1(C)C(C)(C)OB(O1)c2cc(cc(Oc3ccc(cc3)S(=O)(=O)C)c2)OC(COC)C
+CC1(C)C(C)(C)OB(O1)c2cc(cc(c2)C#N)Nc3nc(C(F)(F)F)ccn3
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2)C(OC)=O
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2)CC#N
+CC1(C)C(C)(C)OB(O1)c2cc(ccc2)[N+]([O-])=O
+CC1(C)C(C)(C)OB(O1)c2cc(cnc2)C#N
+CC1(C)C(C)(C)OB(O1)c2cc(cnc2)C=O
+CC1(C)C(C)(C)OB(O1)c2cc(cnc2)OC
+CC1(C)C(C)(C)OB(O1)c2cc(ncc2)C
+CC1(C)C(C)(C)OB(O1)c2cc3C(=O)NC(c3[nH]2)C
+CC1(C)C(C)(C)OB(O1)c2cc3N(C)CCc3cc2F
+CC1(C)C(C)(C)OB(O1)c2cc3NC(=O)Nc3cc2
+CC1(C)C(C)(C)OB(O1)c2cc3c(CCN3C)cc2
+CC1(C)C(C)(C)OB(O1)c2cc3c(c(oc3cc2N(S(=O)(=O)C)C)-c4ccc(cc4)F)C(=O)NC
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)C(=O)NC3
+CC1(C)C(C)(C)OB(O1)c2cc3c(cc2)nc(N)c(c3)N4CCOCC4
+CC1(C)C(C)(C)OB(O1)c2ccc(C(F)(F)F)cc2C=O
+CC1(C)C(C)(C)OB(O1)c2ccc(CO)c(S(=O)(=O)C)c2
+CC1(C)C(C)(C)OB(O1)c2ccc(F)c(CO)c2
+CC1(C)C(C)(C)OB(O1)c2ccc(N)cc2F
+CC1(C)C(C)(C)OB(O1)c2ccc(OC(C)C)c(C(F)(F)F)c2
+CC1(C)C(C)(C)OB(O1)c2ccc(OCCC3CCN(CC3)C(=O)OC(C)(C)C)c(C(F)(F)F)c2
+CC1(C)C(C)(C)OB(O1)c2ccc(OCCCOC3CCCCO3)c(c2)C(F)(F)F
+CC1(C)C(C)(C)OB(O1)c2ccc(OCc3cnccc3)c(C(F)(F)F)c2
+CC1(C)C(C)(C)OB(O1)c2ccc(c(C(F)(F)F)c2)OCOCCOC
+CC1(C)C(C)(C)OB(O1)c2ccc(c(C(OC(C)(C)C)=O)c2)F
+CC1(C)C(C)(C)OB(O1)c2ccc(c(F)c2)Oc3cc(C)nc(C)c3
+CC1(C)C(C)(C)OB(O1)c2ccc(c(OC3CCC3)c2)OC
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)-c3c(O)cccc3
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)N
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2)S(=O)(=O)Nc3c(F)cc(c(F)c3)C(OC)=O
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2C)O
+CC1(C)C(C)(C)OB(O1)c2ccc(cc2F)OC
+CC1(C)C(C)(C)OB(O1)c2ccc(nc2)N
+CC1(C)C(C)(C)OB(O1)c2ccc(o2)C
+CC1(C)C(C)(C)OB(O1)c2ccc3C(=O)C(CC(=O)OCC)(C)CCc3c2
+CC1(C)C(C)(C)OB(O1)c2ccc3OCC(Nc3c2Cl)=O
+CC1(C)C(C)(C)OB(O1)c2ccc3c(N(C(=O)O3)CCCOC)c2
+CC1(C)C(C)(C)OB(O1)c2ccc3c[nH]nc3c2
+CC1(C)C(C)(C)OB(O1)c2ccc3ccc(-c4ccccc4)nc3c2
+CC1(C)C(C)(C)OB(O1)c2ccc3nc(ncc3c2)NC
+CC1(C)C(C)(C)OB(O1)c2cccc(-n3c4c(cccc4)c5ccccc35)c2
+CC1(C)C(C)(C)OB(O1)c2cccc(NC(=O)NCC(F)(F)F)c2
+CC1(C)C(C)(C)OB(O1)c2cccc(c2)C(=O)OCC
+CC1(C)C(C)(C)OB(O1)c2cccc3n(S(=O)(=O)c4ccc(cc4)C)cc(C)c23
+CC1(C)C(C)(C)OB(O1)c2cccnc2
+CC1(C)C(C)(C)OB(O1)c2ccn(n2)CCOC3OCCCC3
+CC1(C)C(C)(C)OB(O1)c2ccnc(c2COC(C)=O)N3CCn4c5c(CCCC5)cc4C3=O
+CC1(C)C(C)(C)OB(O1)c2ccncc2
+CC1(C)C(C)(C)OB(O1)c2ccnn2C3CCCCO3
+CC1(C)C(C)(C)OB(O1)c2cn(nc2)C3CCN(CC3)C(=O)OC(C)(C)C
+CC1(C)C(C)(C)OB(O1)c2cn(nc2)CC
+CC1(C)C(C)(C)OB(O1)c2cnc(C3CC3)cc2
+CC1(C)C(C)(C)OB(O1)c2cnc(OC)c(OC)c2
+CC1(C)C(C)(C)OB(O1)c2cnc(OCCC3CCN(CC3)C(=O)OC(C)(C)C)c(C(F)(F)F)c2
+CC1(C)C(C)(C)OB(O1)c2cnc(c(C#N)c2)OC
+CC1(C)C(C)(C)OB(O1)c2cnc(c(C(F)(F)F)c2)N
+CC1(C)C(C)(C)OB(O1)c2cnc(c(NC(=O)OCc3ccccc3)c2)OC
+CC1(C)C(C)(C)OB(O1)c2cnc(nc2)CC
+CC1(C)C(C)(C)OB(O1)c2cnc(nc2)N
+CC1(C)C(C)(C)OB(O1)c2cnc(nc2)N3CCCC3C(F)(F)F
+CC1(C)C(C)(C)OB(O1)c2cnc(nc2)N3CCOCC3
+CC1(C)C(C)(C)OB(O1)c2cnc3N(C)C(=O)N(CCCOC4OCCCC4)C(=O)c3c2
+CC1(C)C(C)(C)OB(O1)c2cnc3c(c2)c(-c4c(OC)cccc4)nn3COCC[Si](C)(C)C
+CC1(C)C(C)(C)OB(O1)c2cncc(C(OCC)=O)c2
+CC1(C)C(C)(C)OB(O1)c2cncc(N)c2
+CC1(C)C(C)(C)OB(O1)c2cnn(C)c2
+CC1(C)C(C)(C)OB(O1)c2cnn(C3CC3)c2
+CC1(C)C(C)(C)OB(O1)c2cnn3c2CCCC3
+CC1(C)C(C)(C)OB(O1)c2n(C)ncc2
+CC1(C)C(C)(C)OB(O1)c2n(CC)ncc2
+CC1(C)C(C)(C)OB(O1)c2sc(nc2)N(C(OC(C)(C)C)=O)C(C)C
+CC1(C)C(C)(C)OBO1
+CC1(C)C(C)(CCC1C(=O)O)C#N
+CC1(C)C(C)=Nc2c1cccc2
+CC1(C)C(C=C(Cl)Cl)C1C(Cl)=O
+CC1(C)C(CC(C)(C)c2c1cc(c(C=Cc3cc(C)c(cc3)C(=O)O)c2)C)O
+CC1(C)C(CCC1N)(N)C
+CC1(C)C(CCC2(C3=C(CCC12)C4=CCC(C(C)CCC(=O)OC)C4(C)CC3)C)O
+CC1(C)C(Cl)(Cl)C1CO
+CC1(C)C(N(C(=O)N1Br)Br)=O
+CC1(C)C(N(C)c2c(N(CC)C1=O)ccc(OC)c2)=O
+CC1(C)C(N(CCS1)S(=O)(=O)c2ccc(cc2)O)C(=O)OC
+CC1(C)C(N(c2cc(NC(C)=O)c([N+](=O)[O-])cc12)CC)=O
+CC1(C)C(NC(=O)c2c1cc(Br)c(c2[N+](=O)[O-])N)=O
+CC1(C)C(Nc2c(C1O)cc(cc2)C(=O)OC)c3ccc(cc3)[N+]([O-])=O
+CC1(C)C(Nc2c(ccc(Br)c2C(OC)=O)N1)=O
+CC1(C)C(Nc2ccc(C(=O)OCC)cc2C1O)c3cc(ccc3)[N+](=O)[O-]
+CC1(C)C(O)CCC(Nc2nc(ncc2C#N)S(=O)(=O)C)C1
+CC1(C)C(OC(=O)C1)=O
+CC1(C)C(c2c(C)c(cc(c2SC1)C)C(C)=O)=O
+CC1(C)C(c2cc(ccc2)[N+](=O)[O-])Nc3c(C(OC)=O)cc(cc3C1O)Cl
+CC1(C)C(c2ccc(cc2)Cl)(O1)OC
+CC1(C)C(n2c(cnc2)CO)c3c(C(O1)=O)cccc3
+CC1(C)C2(C)CCNC1Cc3c(O)cccc23
+CC1(C)C2(NC(C(F)=C2)=O)c3c(OC1)ccc(c3)Br
+CC1(C)C2=CCC3C(CCC4(C(=CCC34)C(C)CCCC(C)C)C)C2(CCC1=O)C
+CC1(C)C2C(C(=O)C1(CC2)C)C(Cl)=O
+CC1(C)C2C(CCC1O)(C)C3C(CC2)(C4(CCC5(C(=O)O)C(C4CC3)C(C(C)=C)CC5)C)C
+CC1(C)C2CC(C(=O)O)C(C)C1C2
+CC1(C)C2CC(C1(CC2)C)C(Cl)=O
+CC1(C)C2CCC(=O)CC2c3c(O)cc(cc3O1)C(C)(C)C(=O)OC
+CC1(C)C2c3c(c(C(=O)OCC)sc3C)CC12
+CC1(C)C=C(c2c(O1)ccc(C#N)c2)N3C=CC(=CC3=O)C(O)CC(=O)OCC
+CC1(C)C=CC(CC1)=O
+CC1(C)CC(=C(Br)CC1)C=O
+CC1(C)CC(=CC(OCC)=O)CC1
+CC1(C)CC(=O)Nc2c1cccc2CC
+CC1(C)CC(C)CN1
+CC1(C)CC(CC(C)(C)C1)=O
+CC1(C)CC(CC(C)(C)N1)=O
+CC1(C)CC(CC(C)(C)N1)N
+CC1(C)CC(CC(C)(C)N1)N(C)c2ccc(-c3ccc(cc3OC)OS(=O)(=O)C(F)(F)F)nn2
+CC1(C)CC(CC(C)(C)N1)NC
+CC1(C)CC(CC(C)(C)N1)Nc2nc(Cl)ccn2
+CC1(C)CC(CC(C)(C)N1C)N
+CC1(C)CC(CC(C)(C)N1C)Oc2ccc(nc2)C(Nc3ccc(cc3)N)=O
+CC1(C)CC(CC(C)(C)N1CC(F)(F)F)O
+CC1(C)CC(CC(C)(C)N1O)=O
+CC1(C)CC(CC(C)(C)N1O)O
+CC1(C)CC(CC(C)(C)O1)C#N
+CC1(C)CC(CC(O)=O)C(C)(C)c2cc(C)ccc12
+CC1(C)CC(CCC1C(OC)=O)(c2sc(cn2)Br)O
+CC1(C)CC(N2CCN(C(=O)Cl)C2=O)CCO1
+CC1(C)CC(Nc2c1cc(cc2)Cl)c3cccc([N+]([O-])=O)c3
+CC1(C)CC(Nc2c1cccc2)=O
+CC1(C)CC(Nc2nc(ncc2C#N)S(=O)(=O)C)CCC1(O)C
+CC1(C)CC(O)(CN)CCC1
+CC1(C)CC(c2c(ccc(c2)Br)C1)=O
+CC1(C)CC(c2c3c(c(C(=O)O)cc(Br)c3)[nH]c2)CCS1(=O)=O
+CC1(C)CC1C(O)=O
+CC1(C)CC2(CC2)Oc3c(cc(Br)cc13)C=C
+CC1(C)CC2(OCCO2)CC(C)(C)N1
+CC1(C)CC2CC(CN2)(C1)C
+CC1(C)CC=C(c2c([N+](=O)[O-])cc(cc2)OC)CC1
+CC1(C)CC=C(c2cc(Br)ccc2N)CC1
+CC1(C)CCC(B(O)O)=CC1
+CC1(C)CCC(C)(C)C1=COC
+CC1(C)CCC(C)(C)C1=O
+CC1(C)CCC(C)(C)c2c1c(cc(c2)C(=O)C)O
+CC1(C)CCC(CC1=O)=O
+CC1(C)CCC(Nc2cc(Br)ccc12)=O
+CC1(C)CCC(c2c1cc(cc2)C)=O
+CC1(C)CCCC(C)(C)N1
+CC1(C)CCCCC1C=O
+CC1(C)CCCNC1
+CC1(C)CCCc2c1cc(Br)cc2OC
+CC1(C)CCCc2c1cc(cc2)OC
+CC1(C)CCNC(=N)N1
+CC1(C)CCSc2c1cc(cc2)C#C
+CC1(C)CCc2c(C1)c3c(oc4c3ncnc4Cl)nc2OC
+CC1(C)CCc2c1cc(cc2)OC
+CC1(C)CN(C(c2cc(F)c(N)cc2)=O)CCN1
+CC1(C)CN(Cc2ccccc2[N+]([O-])=O)C(=S)OC1
+CC1(C)CN(Cc2cnccc2)C(C)CN1
+CC1(C)CNC(=O)C1
+CC1(C)CNC(C1)C(O)=O
+CC1(C)CNCCN1
+CC1(C)CNCCN1C(=O)OCc2ccccc2
+CC1(C)CNCc2ccc(nc12)O
+CC1(C)CNc2ccc(Br)cc12
+CC1(C)CO1
+CC1(C)COC(CO1)CN=[N+]=[N-]
+CC1(C)COCC(C)(C)N1
+CC1(C)Cc2[nH]nc(-c3cc4ccc(N(C(OCc5ccccc5)=O)C)cc4[nH]3)c2CC1
+CC1(C)Cc2c(C(=O)C1)c(C)c[nH]2
+CC1(C)Cc2c(C(C1)=O)cc(C)[nH]2
+CC1(C)Cc2c(C=N1)cccc2
+CC1(C)Cc2c(CC1)ncnc2O
+CC1(C)Cc2c(O1)c(C(=O)OC)cc(N)c2N
+CC1(C)Cc2c(c(C(=O)O)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1
+CC1(C)Cc2c(c(C(O)=O)cc(Cl)c2)O1
+CC1(C)Cc2c(c(CC)c(C(=O)OCC)[nH]2)C(C1)=O
+CC1(C)Cc2c(c(nn2-c3ccc(c(c3)Br)C#N)CC)C(=O)C1
+CC1(C)Cc2c(c3c(C(NCC3)=O)s2)C1
+CC1(C)Cc2c(cccc2OC)C1=O
+CC1(C)Cc2cc(cc(OC)c2O1)C(C(C)C)O
+CC1(C)Cc2cc3C(NCCn3c2C1)=O
+CC1(C)Cc2nc(ccc2CC1)C(=O)OC
+CC1(C)Cc2sc(C(OCC)=O)cc2C1=O
+CC1(C)N(C(=O)C(C)(C)N1)CCCI
+CC1(C)N(C(=O)c2c1cc(cc2)Cl)c3cc(cnc3)I
+CC1(C)N(C)C(C)(C)c2c1ccc([N+]([O-])=O)c2
+CC1(C)N(CC(N)C2CC(C)C(O2)=O)CC(=O)N(c3c(C)cccc3)C1
+CC1(C)N(CCC1C(=O)OCC)C(=O)C(=O)O
+CC1(C)N(c2ncc(C#N)cc2)CCNC1
+CC1(C)N=C(c2ccccc2F)c3c(NC1=O)ccc(c3)[N+]([O-])=O
+CC1(C)NC(=O)C2(CCCC2)NC1
+CC1(C)NC(=O)c2c([N+]([O-])=O)cccc12
+CC1(C)NC(C)(C)C(N(CCO)C1)=O
+CC1(C)NC(C2C1C(=O)N(C2=O)Cc3ccccc3)Cc4ccc(cc4)Br
+CC1(C)NC(c2c(ccc(c2)OCC(C)=O)O1)=O
+CC1(C)NCCNC1=O
+CC1(C)Nc2c(cccc2)C1
+CC1(C)Nc2c(cccc2)NC1=O
+CC1(C)Nc2ccc(-c3ccc(OCOC)cc3O)c(CO)c2C(=C1)C
+CC1(C)OB(O)c2c1cc(C)cc2
+CC1(C)OB(OC1(C)C)C(C)=C
+CC1(C)OB(OC1(C)C)C2=C(c3c(OCc4ccccc4)ccc(c3)C(F)(F)F)CCCC2
+CC1(C)OB(OC1(C)C)C2=CCC(CC2)CC(=O)OCC
+CC1(C)OB(OC1(C)C)C2=CCCC2
+CC1(C)OB(OC1(C)C)C2=CN(C(=O)c3n(S(=O)(=O)c4ccc(cc4)C)ccc23)C
+CC1(C)OB(OC1(C)C)C2CC2
+CC1(C)OB(OC1(C)C)C=2CCN(C(=O)OC(C)(C)C)CC=2
+CC1(C)OB(OC1(C)C)C=2CCOCC=2
+CC1(C)OB(OC1(C)C)C=C
+CC1(C)OB(OC1(C)C)C=Cc2cccnc2
+CC1(C)OB(OC1(C)C)c2c(-c3scc(C(F)(F)F)n3)cc(nc2)NC(NCC)=O
+CC1(C)OB(OC1(C)C)c2c(C)ccc(N)c2
+CC1(C)OB(OC1(C)C)c2c(C)n[nH]c2C
+CC1(C)OB(OC1(C)C)c2c(Cl)cc(cc2)N
+CC1(C)OB(OC1(C)C)c2c(F)c3nc(ccc3cc2)-c4ccccc4
+CC1(C)OB(OC1(C)C)c2c(F)ccc3n([Si](C)(C)C(C)(C)C)ccc23
+CC1(C)OB(OC1(C)C)c2c(F)cccc2F
+CC1(C)OB(OC1(C)C)c2c(N)cc(OCCOC)c(C(F)(F)F)c2
+CC1(C)OB(OC1(C)C)c2c(N)ncc(-c3cn(C4CCN(CC4)C(=O)OC(C)(C)C)nc3)c2
+CC1(C)OB(OC1(C)C)c2c(c(ccc2)C=O)CC
+CC1(C)OB(OC1(C)C)c2c(c3c(c(c2)F)OCCC3)C
+CC1(C)OB(OC1(C)C)c2c(cc(C)cc2)NC(=O)OC(C)(C)C
+CC1(C)OB(OC1(C)C)c2c(cc(F)cc2)NC(=O)C(C)(C)C
+CC1(C)OB(OC1(C)C)c2c(cc3c(c(ccn3)O)c2)OC
+CC1(C)OB(OC1(C)C)c2c(ccc(NS(=O)(=O)CCC)c2F)F
+CC1(C)OB(OC1(C)C)c2c(cncc2)Cl
+CC1(C)OB(OC1(C)C)c2c(nccc2)C(F)(F)F
+CC1(C)OB(OC1(C)C)c2c3CCC(O[Si](C)(C)C(C)(C)C)c3ccc2
+CC1(C)OB(OC1(C)C)c2c3c(cc(c2)F)[nH]cc3
+CC1(C)OB(OC1(C)C)c2c3c(cc(s3)-c4nc(ncc4F)NCCN5C(=O)NCC5)ccc2
+CC1(C)OB(OC1(C)C)c2c3c(n(S(=O)(=O)c4ccccc4)c2)ncc(c3)OC
+CC1(C)OB(OC1(C)C)c2c[nH]nc2
+CC1(C)OB(OC1(C)C)c2c[nH]nc2C(F)(F)F
+CC1(C)OB(OC1(C)C)c2cc(-c3c(cccc3)C#N)ccc2
+CC1(C)OB(OC1(C)C)c2cc(-c3c(cccc3C#N)F)c(F)cc2
+CC1(C)OB(OC1(C)C)c2cc(Br)cc(Nc3nc(C(F)(F)F)ccn3)c2
+CC1(C)OB(OC1(C)C)c2cc(C(=O)Nc3ccnn3CC)ccc2C
+CC1(C)OB(OC1(C)C)c2cc(C(NC3CC3)=O)ccc2C
+CC1(C)OB(OC1(C)C)c2cc(C(Nc3cc(C(OCC)=O)nn3-c4ccccc4)=O)c(Cl)cc2
+CC1(C)OB(OC1(C)C)c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2
+CC1(C)OB(OC1(C)C)c2cc(Cl)c(CC(OC)=O)cc2
+CC1(C)OB(OC1(C)C)c2cc(Cl)c(c(c2)Cl)C(F)F
+CC1(C)OB(OC1(C)C)c2cc(F)c(C(Nc3ccccn3)=O)cc2
+CC1(C)OB(OC1(C)C)c2cc(F)cc([N+](=O)[O-])c2C
+CC1(C)OB(OC1(C)C)c2cc(F)cc(c2)F
+CC1(C)OB(OC1(C)C)c2cc(F)cnc2
+CC1(C)OB(OC1(C)C)c2cc(N)ccc2F
+CC1(C)OB(OC1(C)C)c2cc(N)cnc2C
+CC1(C)OB(OC1(C)C)c2cc(OC(c3c(ccc(F)c3Cl)Cl)C)c(nc2)N
+CC1(C)OB(OC1(C)C)c2cc(OC)c(NC(=O)OC(C)(C)C)cc2
+CC1(C)OB(OC1(C)C)c2cc(OC)c(O)cc2
+CC1(C)OB(OC1(C)C)c2cc(OC3CCC3)cnc2
+CC1(C)OB(OC1(C)C)c2cc(OCC34CCC(CC3)O4)c(cc2)F
+CC1(C)OB(OC1(C)C)c2cc(OCC3OCCC3)ccc2F
+CC1(C)OB(OC1(C)C)c2cc(S(=O)(=O)CC)ccc2OCC3CC3
+CC1(C)OB(OC1(C)C)c2cc([N+](=O)[O-])c(cc2)F
+CC1(C)OB(OC1(C)C)c2cc(c(OC)cc2CC)F
+CC1(C)OB(OC1(C)C)c2cc(c(c(Cl)c2F)F)Cl
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)F)C#N
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)NC(=O)OC(C)(C)C)Cl
+CC1(C)OB(OC1(C)C)c2cc(c(cc2)OC(C)C)C#N
+CC1(C)OB(OC1(C)C)c2cc(c(cc2C3CC3)OC)F
+CC1(C)OB(OC1(C)C)c2cc(c(cc2Cl)Cl)C(=O)OC
+CC1(C)OB(OC1(C)C)c2cc(c(nc2)OC)NS(=O)(=O)c3ccc(cc3)F
+CC1(C)OB(OC1(C)C)c2cc(cc(F)c2C)C(=O)NC3CC3
+CC1(C)OB(OC1(C)C)c2cc(ccc2C3CC3)Cl
+CC1(C)OB(OC1(C)C)c2cc(ccc2F)S(=O)(=O)C
+CC1(C)OB(OC1(C)C)c2cc(sc2)C(=O)OC
+CC1(C)OB(OC1(C)C)c2cc3C(=O)CCCc3cc2
+CC1(C)OB(OC1(C)C)c2cc3C(C)(C)CCC(C)(C)c3cc2
+CC1(C)OB(OC1(C)C)c2cc3COC(=O)c3cc2
+CC1(C)OB(OC1(C)C)c2cc3c(C(NC(C)CN3)=O)cc2
+CC1(C)OB(OC1(C)C)c2cc3c(nc2)n(c(n3)C)COCC[Si](C)(C)C
+CC1(C)OB(OC1(C)C)c2cc3c(nccc3N4CCCC(NC(=O)OC(C)(C)C)C4)cc2
+CC1(C)OB(OC1(C)C)c2cc3c[nH]nc3cc2
+CC1(C)OB(OC1(C)C)c2cc3nn(C)cc3cc2
+CC1(C)OB(OC1(C)C)c2ccc(C#N)nc2
+CC1(C)OB(OC1(C)C)c2ccc(C(C)(C)O)nc2
+CC1(C)OB(OC1(C)C)c2ccc(C(NC(OC(C)(C)C)=O)C)c(Cl)c2
+CC1(C)OB(OC1(C)C)c2ccc(C(NC)=O)nc2
+CC1(C)OB(OC1(C)C)c2ccc(C(OC)=O)nc2
+CC1(C)OB(OC1(C)C)c2ccc(C)nc2
+CC1(C)OB(OC1(C)C)c2ccc(Cl)c(c2)CS(=O)(=O)C(C)(C)C
+CC1(C)OB(OC1(C)C)c2ccc(N)c(c2)OC
+CC1(C)OB(OC1(C)C)c2ccc(O)nc2
+CC1(C)OB(OC1(C)C)c2ccc(OCC)nc2
+CC1(C)OB(OC1(C)C)c2ccc(c(Cl)c2)C#N
+CC1(C)OB(OC1(C)C)c2ccc(c(F)c2)CNC(=O)OC(C)(C)C
+CC1(C)OB(OC1(C)C)c2ccc(c(F)c2)N
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C#N
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(=O)Cl
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(=O)Nc3nccc(CC)c3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(C)N3C(=O)NC(c4ccccc4)(CC(C)(C)O)CC3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(F)(F)F
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(NCCN(C)C)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C(O)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CC3)C(=O)NNC(=O)OC(C)(C)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CC3)C(=O)NS(=O)(=O)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CC3)C(OC)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CC3)CC(=O)OCC
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CC3)NC(=O)OC(C)(C)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3(CCC3)NC(=O)OC(C)(C)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3=Nc4c(cnn4-c5cccc(C#N)c5)C(N3c6ccc(cc6)Cl)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3CCC(CC3)CC(=O)OC
+CC1(C)OB(OC1(C)C)c2ccc(cc2)C3OC(C)(C)N(C3CF)C(OC(C)(C)C)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CBr
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC#N
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CC(O)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCC(=O)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCC(C(OCC)=O)(C)S(=O)(=O)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CCN3CCOCC3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)CN3CCN(CC3)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)F
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N(C(C=Cc3ccccc3)=O)CC(N4CCC(NC(OC(C)(C)C)=O)C4)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N(C)C(=O)OC(C)(C)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CCN(CC3)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CCN(CC3)C(OC(C)(C)C)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CCNCC3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CCOCC3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)N3CCS(CC3)(=O)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)NC
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)Nc3nocc3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(=O)OC(C)(C)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(NC3CC3)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(NCCC)=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)NS(=O)(=O)c3c(ccc(Cl)c3)F
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Nc3oc4c(cc(C)cc4C)n3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)O
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OC
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCN3CCN(CC3)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCN3CCOCC3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCCOC
+CC1(C)OB(OC1(C)C)c2ccc(cc2)OCc3ccccc3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3cc(F)cc(c3)F
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3ccc(C#N)c(c3)C(F)(F)F
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3ccc(cc3)F
+CC1(C)OB(OC1(C)C)c2ccc(cc2)Oc3ccccc3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)N
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)N(C)C
+CC1(C)OB(OC1(C)C)c2ccc(cc2)S(=O)(=O)NC3CC3
+CC1(C)OB(OC1(C)C)c2ccc(cc2)[N+]([O-])=O
+CC1(C)OB(OC1(C)C)c2ccc(cc2OCC3CC3)F
+CC1(C)OB(OC1(C)C)c2ccc(nc2)F
+CC1(C)OB(OC1(C)C)c2ccc(nc2)NC(OC(C)(C)C)=O
+CC1(C)OB(OC1(C)C)c2ccc(nc2C)N
+CC1(C)OB(OC1(C)C)c2ccc3N(C(OC(C)(C)C)=O)CCc3c2
+CC1(C)OB(OC1(C)C)c2ccc3N(CCc3c2)C
+CC1(C)OB(OC1(C)C)c2ccc3OCCCc3c2
+CC1(C)OB(OC1(C)C)c2ccc3c(c2)cco3
+CC1(C)OB(OC1(C)C)c2ccc3n(nc(C)c3c2)S(=O)(=O)c4ccc(cc4)C
+CC1(C)OB(OC1(C)C)c2ccc3ncn(-c4ccccc4)c3c2
+CC1(C)OB(OC1(C)C)c2cccc(C(=O)O)c2
+CC1(C)OB(OC1(C)C)c2cccc(C(F)(F)F)c2
+CC1(C)OB(OC1(C)C)c2cccc(N)c2
+CC1(C)OB(OC1(C)C)c2cccc(N3CCc4c(C3=O)sc5CCCCc45)c2COC(=O)C
+CC1(C)OB(OC1(C)C)c2cccc(NS(=O)(=O)CCC)c2F
+CC1(C)OB(OC1(C)C)c2cccc(O)c2CC
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+CC1(C)OB(OC1(C)C)c2cccc(c2)-c3n(c4c(cccc4)n3)-c5c(C(C)C)cccc5C(C)C
+CC1(C)OB(OC1(C)C)c2cccc(c2)COCC(F)(F)F
+CC1(C)OB(OC1(C)C)c2cccc(c2)NC
+CC1(C)OB(OC1(C)C)c2cccc(c2)NS(=O)(=O)c3ccc(cc3)C
+CC1(C)OB(OC1(C)C)c2cccc(c2C)C(=O)O
+CC1(C)OB(OC1(C)C)c2cccc3Sc4cc(NC(=O)OC(C)(C)C)ccc4Sc23
+CC1(C)OB(OC1(C)C)c2cccc3[nH]ccc23
+CC1(C)OB(OC1(C)C)c2cccc3c2oc4c3ccc(C)n4
+CC1(C)OB(OC1(C)C)c2ccnc(C#N)c2
+CC1(C)OB(OC1(C)C)c2ccnc(c2)OCC3CCOCC3
+CC1(C)OB(OC1(C)C)c2ccnn2-c3ccc(cc3)Cl
+CC1(C)OB(OC1(C)C)c2cn(C(=O)OC(C)(C)C)nc2C
+CC1(C)OB(OC1(C)C)c2cn(C(C)(C)C(OCC)=O)nc2
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+CC1(C)OB(OC1(C)C)c2cn(S(=O)(=O)c3ccc(cc3)C)c4ncc(F)cc24
+CC1(C)OB(OC1(C)C)c2cn(nc2)C(=O)OC(C)(C)C
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+CC1(C)OB(OC1(C)C)c2cnc(C)c(N(CC)C)c2
+CC1(C)OB(OC1(C)C)c2cnc(Cl)c(c2)NS(=O)(=O)c3cccc(c3)OC(F)F
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+CC1(C)OB(OC1(C)C)c2cnc(N3CCOCC3)cc2
+CC1(C)OB(OC1(C)C)c2cnc(OC)cc2
+CC1(C)OB(OC1(C)C)c2cnc(cc2)N3CCN(CC3)C(OC(C)(C)C)=O
+CC1(C)OB(OC1(C)C)c2cnc(o2)C
+CC1(C)OB(OC1(C)C)c2cnc3c(c2)cc[nH]3
+CC1(C)OB(OC1(C)C)c2cncc(S(=O)(=O)C)c2
+CC1(C)OB(OC1(C)C)c2cncc(S(=O)(=O)NC(C)(C)C)c2
+CC1(C)OB(OC1(C)C)c2cnn(CCCCCNC(=O)OC(C)(C)C)c2
+CC1(C)OB(OC1(C)C)c2cnn(CCCCO)c2
+CC1(C)OB(OC1(C)C)c2cnn(CCOC)c2
+CC1(C)OB(OC1(C)C)c2cnn(c2)CC(=O)OCC
+CC1(C)OB(OC1(C)C)c2cnn(c2)CC3(CCC3)O
+CC1(C)OB(OC1(C)C)c2n(ncc2)-c3ccccc3
+CC1(C)OB(OC1(C)C)c2nc(ccc2)F
+CC1(C)OB(c2c(cccc2)C1)O
+CC1(C)OC(=CC(=O)Cl)C(O1)=O
+CC1(C)OC(=O)C(C(O1)=O)=CNc2cc(OC)cc(c2)OC
+CC1(C)OC(=O)C(C(O1)=O)Cc2c[nH]c3c2c(c([N+]([O-])=O)cc3)C
+CC1(C)OC(=O)Nc2c1cc(-c3[nH]c(cc3)C#N)cc2
+CC1(C)OC(C(C)(C)O1)C(Cl)=NO
+CC1(C)OC(C(CN)O)CO1
+CC1(C)OC(C)(C)C(=O)C1
+CC1(C)OC(C)(C)C(C1=O)=Cc2cc(ccc2C3CC3)Br
+CC1(C)OC(C)=CC(=O)O1
+CC1(C)OC(C=C(c2cccc(-n3cncc3)c2)O1)=O
+CC1(C)OC(CCl)CO1
+CC1(C)OC(CO1)CCO
+CC1(C)OC(CO1)CN2C=C(C(=O)c3c2sc(c3)CO)C(NCc4ccc(cc4)Cl)=O
+CC1(C)OC(CO1)CNc2c(cnc3cc(ccc23)Br)[N+](=O)[O-]
+CC1(C)OC(CO1)COc2ccccc2-c3ccc4n(c(cn4)C(=O)O)n3
+CC1(C)OC(CO1)Cc2c(OC)cccc2
+CC1(C)OC(COc2cc(N)ncc2)CO1
+CC1(C)OC(N(c2ccc(cc2)I)C1c3ccccc3)=O
+CC1(C)OC(c2cccc(c2)C#N)=CC(=O)O1
+CC1(C)OC(c2cnc(C=O)s2)CO1
+CC1(C)OC2C(C(OC2n3cnc4c(N)ncnc34)CN)O1
+CC1(C)OC2C(O1)C(OC2n3cnc4c(N)ncnc34)CNC
+CC1(C)OCC(C(Cl)=O)O1
+CC1(C)OCC(CCN=[N+]=[N-])O1
+CC1(C)OCC(COCCC#N)O1
+CC1(C)OCC(Cc2cc3NC(CCc3cc2OC)=O)O1
+CC1(C)OCC(O1)CON
+CC1(C)OCC(O1)COc2cc([N+]([O-])=O)ccc2
+CC1(C)OCC(O1)Cn2c(cc3cc([N+](=O)[O-])c(F)cc23)C(C)(C)CO
+CC1(C)OCC(O1)Cn2nc(cc2)[N+](=O)[O-]
+CC1(C)OCC(c2cnc(cn2)N)O1
+CC1(C)OCCC(C1)CO
+CC1(C)OCCN2C(C(=C(N=C12)C(OCC)=O)O)=O
+CC1(C)OCc2c(C=O)cnc(C)c2O1
+CC1(C)OCc2c(c(cc(c2)F)O)O1
+CC1(C)OCc2c(cccc2CCO)O1
+CC1(C)OCc2c1nc(Cl)nc2Cl
+CC1(C)OCc2cc(C(CN)O)ccc2O1
+CC1(C)Oc2c(C(C1)C#N)c(cc(C(C)(C)CCCCCC)c2)OCc3ccccc3
+CC1(C)Oc2c(C)c(C)c(N3CCNCC3)c(C)c2C1
+CC1(C)Oc2c(C=C1)cc(Br)cc2
+CC1(C)Oc2c(C=C1)cc(N)cc2
+CC1(C)Oc2c(C=C1)cc(cc2)CC(O)=O
+CC1(C)Oc2c(C=C1C)cc(cc2)Br
+CC1(C)Oc2c(CC1CC(=O)OCC)cc(cc2)F
+CC1(C)Oc2c(Cl)cc(c(C)c2C1)C
+CC1(C)Oc2c(OC)cc(C=O)cc2C1
+CC1(C)Oc2c(c(C=3CCCCC=3)c(C=O)c(C(C)C)c2)C(C1)=O
+CC1(C)Oc2c(cc(B(O)O)cc2)C1
+CC1(C)Oc2c(cc(Br)cc2C=O)C(C)(C)C1
+CC1(C)Oc2c(cc(OB(O)O)cc2)CC1
+CC1(C)Oc2c(cccc2C(=O)OCC)C1
+CC1(C)Oc2c(cccc2C1)C(=O)O
+CC1(C)Oc2c(cccc2C1)O
+CC1(C)Oc2c(cccc2C1=S)[N+]([O-])=O
+CC1(C)Oc2cc(C(C)C(C)CCCCC)cc(O)c2C3=C1CCN(C#N)C3
+CC1(C)Oc2ccc(C3CNC(=O)O3)cc2CO1
+CC1(C)Oc2ccc(N)cc2C(O1)=O
+CC1(C)Oc2ccc(cc2C(O1)=O)C=O
+CC1(C)S(=O)(=O)c2c(ccc(Br)c2)C1=O
+CC1(C)c2c(-c3ccc(B(O)O)cc13)cccc2
+CC1(C)c2c(C(=O)C1)cc(CC)cc2
+CC1(C)c2c(C(=O)C1)cccc2
+CC1(C)c2c(CC1)cc(OC)cc2
+CC1(C)c2c(CCC1=O)ccc(OC)c2
+CC1(C)c2c(Cl)ccc(C)c2SCC1
+CC1(C)c2c(N(C1=O)CC)cc(c(N)c2)[N+](=O)[O-]
+CC1(C)c2c(NC1=O)cc(Cl)nc2
+CC1(C)c2c(NC1=O)cccc2
+CC1(C)c2c(NC1C(=O)NCCCC)cccc2
+CC1(C)c2c(OCC1)cc(cc2)Br
+CC1(C)c2c(c(O)nc(-c3ccc(cc3)Br)n2)CO1
+CC1(C)c2c(cc(F)c(C)c2)B(O1)O
+CC1(C)c2c(ccc(Br)c2)OC1
+CC1(C)c2c(ccc(c2SCC1)Cl)Cl
+CC1(C)c2cc(Br)ccc2C(NC1)=O
+CC1(C)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2C(C)(C)CC1
+CC1(C)c2cc([N+](=O)[O-])c(cc2C(C)(C)C1(C)C)[N+](=O)[O-]
+CC1(C)c2cc(c(B(O)O)cc2C(C)(C)CC1)C
+CC1(C)c2cc(c(cc2N(C(C1)=O)CC)N)N
+CC1(C)c2cc(cc(C3CC3)c2OC(C)(C)C1)Br
+CC1(C)c2cc(ccc2C(C)(C)CC1)C(O)=O
+CC1(C)c2ccc(cc2N(C(=O)C)C1)[N+](=O)[O-]
+CC1(C)c2ccc(cc2N(C1=O)C)C(O)=O
+CC1(C)c2cccc(c2N(C)C1=O)F
+CC1(C)c2ccccc2N(C(=O)O1)CCC#N
+CC1(C)c2ccccc2NC(CC1)=O
+CC1(C)c2nc3c(cc(Cl)cc3)c(c2CC1)Cl
+CC12C3CCC4(C(C(C)CCC(=O)O)CCC4C3C(O)CC1CC(CC2)O)C
+CC12C3CCC4(C(CCC4=O)C3CCC1CC(CC2)OC(=O)C)C
+CC12C3CCC4(C)C(CCC4C3CCC1CC(C)(O)CC2)C(O)=O
+CC1=C(C#N)C(C(=C(C)N1)C#N)c2ccc(F)c(C#N)c2
+CC1=C(C(OC)=O)N(C(=C(C)N1)C(OC)=O)c2cc(ccc2)[N+](=O)[O-]
+CC1=NC(=O)N(c2cc(OC)c(C)cc2)N1
+CC1C(C)OS(=O)(=O)O1
+CC1C(C1)C(=O)O
+CC1C(CCNC1)C(=O)O
+CC1CC(=CC(C1)O)c2ccncc2[N+](=O)[O-]
+CC1CC(CC(C)C1)O
+CC1CC(CCN1C(=O)OC)=O
+CC1CC1C(N)C
+CC1CCCN1
+CC1CCCNC1
+CC1CCOc2cccc(OCOC)c12
+CC1CCSc2c(cc(c(C)c12)C(=O)O)C
+CC1CN(CC(C)C1=O)Cc2ccccc2
+CC1CN(CC(C)N1)Cc2ccccc2
+CC1CN(CC(C)N1)c2sc3ccccc3n2
+CC1CN(CC(C)O1)CCCCCCCCCCCO
+CC1CN(CC(C)O1)c2c(c(ccc2C(=O)O)F)F
+CC1CNCC(C)C1
+CC1CNCC(C)N1C
+CC1CNCC(C)O1
+CC1CNc2cc(C)c(O)c(c12)C
+CC1Cc2cc(OC)ccc2C1=O
+CC1N(CC=C)CC(N(CCCCl)C1)C
+CC1NCCOC1
+CC1c2c(ccc(OC)c2)CCC1
+CC1c2c(ncnc2Cl)C(O)C1
+CC1c2ccc(O)nc2CCNC1
+CC=1CC(N(N=1)c2ccc3c(CCO3)c2)=O
+CC=1N(C(=O)c2c(cccc2)C=1CC(O)=O)O
+CC=1N(C)N(C(=O)C=1)C
+CCB(CC)CC
+CCB(CC)c1cnccc1
+CCBr
+CCC#CCO
+CCC(=CC)c1ccc(C=O)c(c1)O
+CCC(=O)Br
+CCC(=O)C
+CCC(=O)C=C
+CCC(=O)C=COC
+CCC(=O)CBr
+CCC(=O)CC#N
+CCC(=O)CC(C)CC
+CCC(=O)CC(CC)=O
+CCC(=O)CC(OC)=O
+CCC(=O)CC(OCC)=O
+CCC(=O)CCCCCC
+CCC(=O)Cl
+CCC(=O)N
+CCC(=O)N(OC)C
+CCC(=O)O
+CCC(=O)c1c(ccc([N+]([O-])=O)c1)O
+CCC(C(=O)Cl)Cl
+CCC(C(=O)OC)Br
+CCC(C(=O)OC)N
+CCC(C(N)CO)C
+CCC(C([N+](=O)[O-])C)CC=O
+CCC(C)Br
+CCC(CC)(CCC=C(c1cc(Br)cs1)CC)O
+CCC(CC)(N)C(=O)O
+CCC(CC)(N)C(OCC)=O
+CCC(CC)(O)C#C
+CCC(CC)(O)c1c2c(ccc1)NC(=O)N2
+CCC(CC)(c1ccc(O)c(C)c1)c2ccc3c(ccc(C(OC)=O)c3)c2
+CCC(CC)(c1ccc(OCc2ccccc2)c(C)c1)C(=O)Nc3c(cc(C(=O)OC)cc3)O
+CCC(CC)(c1ccc(OCc2ccccc2)c(C)c1)C(=O)Nc3cc(C(OC)=O)ccc3O
+CCC(CC)=C(c1c2ccccc2c(cc1)C=O)C(N)=O
+CCC(CC)C(Cl)=O
+CCC(CC)C=O
+CCC(CC)CCN
+CCC(CC)N
+CCC(CC)Nc1c(cnc(Cl)n1)C#CC(OCC)OCC
+CCC(CC)Oc1cccc(C(O)=O)c1
+CCC(CC)c1c(N)nnc(c1)C
+CCC(CC)c1ccc(Cl)c2NC(N(C)c12)=O
+CCC(CCCC)CO
+CCC(CN=C=S)C
+CCC(CO)C
+CCC(CO)OC
+CCC(C[Mg]Br)CCCC
+CCC(I)C
+CCC(N)C
+CCC(N)C(=O)N
+CCC(N)C(=O)O
+CCC(N)C=CC(=O)OC
+CCC(N)CC(=O)OC
+CCC(N)CO
+CCC(O)(C=C)C(CC=C(CC)C)C
+CCC(OC)C(=O)O
+CCC(OCC)=O
+CCC(S)CO
+CCC(c1cc(C)c(Cl)cc1)=O
+CCC(c1cc(CN)c(cc1)O)=O
+CCC(c1cc(ccc1)Br)=O
+CCC(c1cc2CCOc2cc1)=O
+CCC(c1ccc(cc1O)O)=O
+CCC(c1cccc(OC)c1)=O
+CCC1(CC)C(=O)N(C)c2ccccc12
+CCC1(CC)C(Nc2ccccc12)=O
+CCC1(CC)OC(N(CCC(C)(C)N)c2ccccc12)=O
+CCC=CCCC(CCC=CCC)O
+CCC=O
+CCCBr
+CCCC(=O)CCCC
+CCCC(=O)Cl
+CCCC(=O)O
+CCCC(CCC)(C(=O)OCC)Oc1ccc(Cl)cc1C2OCCO2
+CCCC(CCC)C(O)=O
+CCCC(CCC)c1ccc(cc1)O
+CCCC(N)C
+CCCC=CC(=O)O
+CCCC=O
+CCCCBr
+CCCCC(=O)C
+CCCCC(=O)CBr
+CCCCC(=O)CF
+CCCCC(=O)Cl
+CCCCC(C(=O)N)NC
+CCCCC(C=O)C(=O)C
+CCCCC(CC(=O)O)C
+CCCCC=O
+CCCCCCCCCCC(=O)CCCCCBr
+CCCCCCCCCCCC#N
+CCCCCCCCCCCC(=O)Cl
+CCCCCCCCCCCC(=O)NN
+CCCCCCCCCCCC(O)CCO
+CCCCCCCCCCCC=O
+CCCCCCCCCCCCC(=O)O
+CCCCCCCCCCCCN
+CCCCCCCCCCCCNCCO
+CCCCCCCCCCCCO
+CCCCCCCCCCCCS
+CCCCI
+CCCCN
+CCCCN(CCCC)SN(C)C(F)=O
+CCCCNC
+CCCCNC(C(C(N=[N+]=[N-])CCCC)O)=O
+CCCCNN
+CCCCOC(=O)C1(N)CCOC1
+CCCCOC(=O)C=C
+CCCCOC(=O)Cl
+CCCCOC=C
+CCCCON
+CCCC[Mg]Br
+CCCC[Sn](CCCC)(CCCC)c1cc(C(OCC)=O)[nH]n1
+CCCC[Sn](CCCC)(CCCC)c1ccccn1
+CCCC[Sn](CCCC)(CCCC)c1ccncc1F
+CCCC[Sn](CCCC)(CCCC)c1ccnn1-c2ccc(cc2)C#N
+CCCC[Sn](CCCC)(CCCC)c1ccnn1C(C)C
+CCCC[Sn](CCCC)(CCCC)c1n(C)ncc1
+CCCC[Sn](CCCC)(CCCC)c1nc(cs1)C
+CCCC[Sn](CCCC)(CCCC)c1ncc(cc1)C
+CCCC[Sn](CCCC)(CCCC)c1ncccn1
+CCCC[Sn](CCCC)(CCCC)c1nccnc1
+CCCC[Sn](CCCC)(CCCC)c1nccs1
+CCCC[Sn](CCCC)(CCCC)c1ncn(C)c1
+CCCC[Sn](CCCC)(CCCC)c1occn1
+CCCI
+CCCN
+CCCN(CCC)CC(N1c2c(cc(C)c(C)c2)NC(=O)c3cccnc13)=O
+CCCN(CCC)c1cccc2NC(=O)N(C)c12
+CCCNC
+CCCNC1CCc2c(C1)sc(N)n2
+CCCOC(=O)Cl
+CCCOc1[nH]c(C=O)c(Br)n1
+CCCOc1c(O)cc(CO)nc1
+CCCOc1n[nH]c(c1)C(=O)OC
+CCCS
+CCC[Mg]Cl
+CCC[N+](=O)[O-]
+CCCc1c(N)c(C(=O)O)ncc1
+CCCc1c(OCOC)cccn1
+CCCc1cccnc1
+CCI
+CCN
+CCN(CC)C(=O)C(c1ccccc1)Br
+CCN(CC)C(C=Cc1cc(N)ccc1Cl)=O
+CCN(CC)C(NC1CC2c3c4C(CNc4ccc3)CC2N(C)C1)=O
+CCN(CC)C(c1c(ccc(Br)c1)N)=O
+CCN(CC)C1CNCC1
+CCN(CC)CCBr
+CCN(CC)CCCC(N)C
+CCN(CC)CCCNC(=O)c1c([nH]c(C=O)c1C)C
+CCN(CC)CCCO
+CCN(CC)CCNC(c1c(c([nH]c1)C=O)C)=O
+CCN(CC)CCO
+CCN(CC)c1ccc(cc1)Nc2nc(Cl)ccc2C(=O)N
+CCN(CCN)c1cc(C)ccc1
+CCN(CCO)c1cc(ccc1)NC(C)=O
+CCN1C(C(Br)=Cc2cnc(SC)nc12)=O
+CCN1CCCC1CN
+CCN1CCNCC1=O
+CCN1c2cc(NC(CC#N)=O)ncc2C=C(C1=O)c3c(F)cc(c(c3)N)F
+CCN=C=S
+CCNC
+CCNC(=O)N
+CCNC(=O)Nc1ncc(Br)c(c1)C(N)=S
+CCNC(N)=S
+CCNC1CCc2c(C1)sc(N)n2
+CCNCC(=O)O
+CCNN
+CCNOC
+CCO
+CCOC(=O)C
+CCOC(=O)C#CC
+CCOC(=O)C#N
+CCOC(=O)C(=COCC)C(CCC)=O
+CCOC(=O)C(=COCC)C(c1c(c(c(cc1F)F)F)C)=O
+CCOC(=O)C(C(=O)OCC)(NC(=O)C)CC(c1ccc(cc1)Sc2ccccc2)=O
+CCOC(=O)C(C(=O)OCC)C
+CCOC(=O)C(C(OCC)=O)=O
+CCOC(=O)C(C(OCC)=O)CC(C)C
+CCOC(=O)C(C(OCC)=O)CCCO
+CCOC(=O)C(C=O)Cl
+CCOC(=O)C(CC=C)C
+CCOC(=O)C(CCBr)Br
+CCOC(=O)C(CCBr)C
+CCOC(=O)C(CO)=C
+CCOC(=O)C(N)=S
+CCOC(=O)C(N)C
+CCOC(=O)C(N)CSCCCCCCC
+CCOC(=O)C(N1C=CC=C(C1=O)[N+]([O-])=O)OCC
+CCOC(=O)C(c1ccncc1[N+](=O)[O-])C#N
+CCOC(=O)C1=CN(c2ccc(F)cc2F)c3c(c(c(cc3C1=O)F)F)Br
+CCOC(=O)C1C(CCNC1)=O
+CCOC(=O)C1CCCC1=O
+CCOC(=O)C=1C(N(c2c(cccc2)N=1)CCO)=O
+CCOC(=O)C=1NC(=S)SC=1
+CCOC(=O)C=C
+CCOC(=O)C=C(C)Cl
+CCOC(=O)C=CC
+CCOC(=O)C=Cc1c(CBr)cccc1
+CCOC(=O)C=Cc1c(N)cc(Br)nc1
+CCOC(=O)C=Cc1cc(Cl)c(NCCN)nc1
+CCOC(=O)C=Cc1cc[nH]c1
+CCOC(=O)C=Cc1ccc(OC)cc1OC
+CCOC(=O)C=O
+CCOC(=O)CBr
+CCOC(=O)CC#N
+CCOC(=O)CC(=O)c1ccc(F)c(F)c1
+CCOC(=O)CC(N)C
+CCOC(=O)CCCCCCCC1=Cc2c(c(OC)c(c(OC)c2OC)OC)C1
+CCOC(=O)CCc1cc(cc(CCC(O)=O)c1)Cc2cnccc2
+CCOC(=O)CN
+CCOC(=O)CNC(=O)c1ccccc1O
+CCOC(=O)CNN
+CCOC(=O)CNc1ncc(I)cc1[N+](=O)[O-]
+CCOC(=O)COc1cccnc1CN
+CCOC(=O)CS
+CCOC(=O)CSc1sc(N)nc1
+CCOC(=O)C[N+]#[C-]
+CCOC(=O)C[N+](=O)[O-]
+CCOC(=O)Cl
+CCOC(=O)NC(Nc1nccc(Cl)c1)=S
+CCOC(=O)NN
+CCOC(=O)c1[nH]ccc1N
+CCOC(=O)c1[nH]nc(C)c1Cl
+CCOC(=O)c1c(C#N)c(Cl)c(C)[nH]1
+CCOC(=O)c1c(C)nc(Br)s1
+CCOC(=O)c1c(C)nc(N)s1
+CCOC(=O)c1c(C)nc(N2CC(C)NC2=O)s1
+CCOC(=O)c1c(C)nc(s1)N=[N+]=[N-]
+CCOC(=O)c1c(C=O)c[nH]n1
+CCOC(=O)c1c(N)cc(-c2ccco2)[nH]1
+CCOC(=O)c1c(N=[N+]=[N-])c2c(cccc2)nc1
+CCOC(=O)c1c([nH]nc1)-c2sc3CCCCc3n2
+CCOC(=O)c1c(c2CCCCc2nc1Cl)Cl
+CCOC(=O)c1c(sc2CN(CCc12)C)N=COCC
+CCOC(=O)c1c2c(n[nH]1)C(C3C2C3)OCOC
+CCOC(=O)c1cc(N)c(cc1)N
+CCOC(=O)c1ccc(c(OCC)c1)Cl
+CCOC(=O)c1cccc(C(=O)CBr)c1
+CCOC(=O)c1ccccc1O
+CCOC(=O)c1cccn1CC=C
+CCOC(=O)c1cn2CCNCc2n1
+CCOC(=O)c1cnc2c(c(F)c(cc2c1O)F)F
+CCOC(=O)c1csc(-c2ccnn2C)n1
+CCOC(=O)c1csc(Br)n1
+CCOC(=O)c1csc(CBr)n1
+CCOC(=O)c1csc(N)n1
+CCOC(=O)c1n(C)c(C)cc1N
+CCOC(=O)c1n[nH]c(C)c1
+CCOC(=O)c1n[nH]cc1
+CCOC(=O)c1nc(C)cs1
+CCOC(=O)c1nc(c2n(ccc2c1O)Cc3ccc(F)c(F)c3)C#N
+CCOC(=O)c1ncc(c(N)c1)[N+](=O)[O-]
+CCOC(=O)c1nccc(Cl)c1
+CCOC(=O)c1ncn(C)c1N
+CCOC(=O)c1ncn(CC=C)c1
+CCOC(=O)c1nn(c2C3CC(CC3)c12)C
+CCOC(C(=O)OCC)=O
+CCOC(C12c3c(OCC1CCCC2)cccc3)=O
+CCOC(C1=C2N(CCC2)C(C(=C1Cl)Cl)=O)=O
+CCOC(C1=CCN(CC1)C)=O
+CCOC(C1=CN(C(C=C1Cl)=O)C)=O
+CCOC(C1=CN(NC1=O)C)=O
+CCOC(C1C(CO)C1)=O
+CCOC(C1CCCNC1)=O
+CCOC(C1CCNC(C1)=O)=O
+CCOC(C1COCCC1N)=O
+CCOC(C=CCN1C(NC(c2ccccc12)=O)=O)=O
+CCOC(C=[N+]=[N-])=O
+CCOC(CCBr)=O
+CCOC(CCC1CCCC(C1)=O)=O
+CCOC(CCC=C)=O
+CCOC(CCCBr)=O
+CCOC(CCCCl)=O
+CCOC(CCCN)=O
+CCOC(CCC[Zn+])=O
+CCOC(CCN)=O
+CCOC(CCNC)=O
+CCOC(CCS)=O
+CCOC(CC[Zn]Br)=O
+CCOC(CCl)=O
+CCOC(Cc1cc(Br)ncc1[N+](=O)[O-])=O
+CCOC(Cc1ccncc1[N+](=O)[O-])=O
+CCOC(Cc1csc(N)n1)=O
+CCOC(NC(=O)C(=COCC)C#N)=O
+CCOC(OCC)(OCC)CC
+CCOC(OCC)(OCC)CCl
+CCOC(OCC)(OCC)c1ccccc1
+CCOC(OCC)C#Cc1cnc(Cl)nc1NC2CCCC2
+CCOC(OCC)CCCNC
+CCOC(OCC)CN(C)C
+CCOC(OCC)CNN
+CCOC(OCC)OCC
+CCOC(OCC)P(OCC)(=O)C
+CCOC(OCC)c1[nH]c2c(c1)cnc(c2)Br
+CCOC(OCC)c1ccc(cc1)C=O
+CCOC(OCC)c1oc2c(cncc2c1)I
+CCOC(c1[nH]c2ccccc2c1)=O
+CCOC(c1[nH]cc(C)c1)=O
+CCOC(c1[nH]cc(CC#N)c1)=O
+CCOC(c1c(C#N)c(S)nc(C)c1)=O
+CCOC(c1c(C)c2n(NC=C(C2=O)C#N)c1)=O
+CCOC(c1c(C)n(C)cc1)=O
+CCOC(c1c(C)nc(O)nc1)=O
+CCOC(c1c(C)nccc1)=O
+CCOC(c1c(C)onc1-c2ccncc2F)=O
+CCOC(c1c(C)onc1-c2ccncn2)=O
+CCOC(c1c(Cl)nc(SC)nc1)=O
+CCOC(c1c(Cl)nccc1)=O
+CCOC(c1c(I)n[nH]c1)=O
+CCOC(c1c(N)n[nH]c1)=O
+CCOC(c1c(O)c2c(c(Cl)nc(C)c2)nc1)=O
+CCOC(c1c(O)c2c(nc1)c(C)c(C=O)s2)=O
+CCOC(c1c(c(ccc1)Sc2c([nH]c3c(c(Cl)ccc23)F)Cl)F)=O
+CCOC(c1c(n[nH]c1)C)=O
+CCOC(c1c(n[nH]c1)[N+](=O)[O-])=O
+CCOC(c1c2OCCCn2nc1)=O
+CCOC(c1c2c(n[nH]c2)nc(Br)c1)=O
+CCOC(c1c2c(n[nH]c2)nc(O)c1)=O
+CCOC(c1c2n(c(CCOC)c1)cccc2Cl)=O
+CCOC(c1c2n(nc1)ccc(Cl)n2)=O
+CCOC(c1cc(C#N)c(S)nc1)=O
+CCOC(c1cc(C)cc(C(=O)O)c1)=O
+CCOC(c1cc([N+]([O-])=O)c(OCC)cc1)=O
+CCOC(c1cc(c(Cl)nc1)[N+](=O)[O-])=O
+CCOC(c1cc2cccnc2[nH]1)=O
+CCOC(c1cc[nH]c1C)=O
+CCOC(c1ccc[nH]1)=O
+CCOC(c1cccs1)=O
+CCOC(c1ccn2CCOCc12)=O
+CCOC(c1ccnc(Cl)c1)=O
+CCOC(c1ccnc(Cl)c1C)=O
+CCOC(c1cn[nH]c1)=O
+CCOC(c1cnn2-c3c(cccc3)NC(c12)=O)=O
+CCOC(c1sc(Br)nc1)=O
+CCOC(c1sc(N)nc1)=O
+CCOC=C
+CCOC=O
+CCOCC
+CCON
+CCOP(OCC)(=O)C(F)(F)Br
+CCOP(OCC)(=O)C(P(OCC)(OCC)=O)CCCO
+CCOP(OCC)(=O)C1N(C(NC1=O)=O)C
+CCOP(OCC)(=O)Cc1c2c(cccc2)ncc1
+CCOP(OCC)(=O)Cc1ccc(N)c(c1)OC
+CCOP(OCC)(=O)c1c(I)scc1
+CCOP(OCC)(=O)c1ccc(cc1)F
+CCOP(OCC)(C1C(=O)NC(N1)=O)=O
+CCOP(OCC)(CC(=CC(OCC)=O)C)=O
+CCOP(OCC)(CC(=O)O)=O
+CCOP(OCC)(Cl)=O
+CCOP(OCC)(S)=S
+CCOP(OCC)(c1sc(C=O)cc1)=O
+CCO[PH](C)=O
+CCO[Si](OCC)(OCC)CCCCl
+CCOc1c(c(C(OCC)=O)c(c2ccccc12)OCC)C(=O)O
+CCOc1c2c(CC(=O)O)c[nH]c2c(Cl)cc1F
+CCOc1cccnc1CCl
+CCOc1ccnc(Br)c1
+CCS
+CCS(O)=O
+CCSCCC(=O)Cl
+CC[K]
+CC[Mg+]
+CC[Mg]Br
+CC[Mg]Cl
+CC[N+](=O)[O-]
+CC[O+](CC)CC
+CC[Si](CC)(CC)C#C
+CC[Si](CC)(CC)C#CCCCC1(CCC(CC1)(c2ccccc2)N(C)C)O
+CC[Si](CC)(CC)Cl
+CC[Si](CC)(CC)OC1(C(F)(F)F)CC2CCCc3cc4c(cc3C2(C=O)CC1)cnn4-c5ccc(cc5)F
+CCc1c(C)nc(Cl)c(c1)C(=O)OC
+CCc1c(C)nc(O)c(c1)[N+](=O)[O-]
+CCc1c(N)cnc(c1)-c2cccs2
+CCc1c(O)ncc(C(=O)O)n1
+CCc1c(n(C)nc1)-c2csc(c2)C(=O)OC
+CCc1c2c(cccc2ccc1)O
+CCc1cc(N)no1
+CCc1cc(N)on1
+CCc1cc([N+](=O)[O-])c(cc1CC)N
+CCc1ccc[nH]1
+CCc1cccc(CC)c1C(O)=O
+CCc1cccc(CC)c1N
+CCc1cccc(CC)c1N=C=O
+CCc1cn2c(c(C(=O)O)cc(Cl)c2N)n1
+CCc1csc(N)n1
+CCc1nccc(c1)C(N)=S
+CCc1noc(CCl)n1
+CCn1c(N)ccn1
+CCn1c2c(cc1)cnc(c2)C(=O)OC
+CI
+CN(C)C(=O)C
+CN(C)C(=O)C(N)Cc1cnc(-c2cccc(c2F)F)cc1
+CN(C)C(=O)C(O)=O
+CN(C)C(=O)COc1ccc2c[nH]nc2c1
+CN(C)C(=O)c1cc(O)c2c(n(C)c(C)n2)c1
+CN(C)C(=O)c1cc2cccc(N3CCN(CC3)Cc4ccccc4)c2o1
+CN(C)C(=O)c1ccc(N(C)C(c2cc3CCOc4cc(Br)ccc4-c3s2)=O)c(Cl)c1
+CN(C)C(=O)c1coc2c1cc(cc2)Br
+CN(C)C(C(C)Oc1cccc2c1c(O)ncn2)=O
+CN(C)C(C)(C)C=O
+CN(C)C(C1C(c2ccc(cc2)Br)C1)=O
+CN(C)C(CC)=O
+CN(C)C(CCl)=O
+CN(C)C(CN1CCNCC1)=O
+CN(C)C(CN1CCc2c(ccc([N+](=O)[O-])c2)CC1)=O
+CN(C)C(Cl)=O
+CN(C)C(Cl)=S
+CN(C)C(N(C)C)C(OC)C#N
+CN(C)C(N(C)C)OC(C)(C)C
+CN(C)C(N)=S
+CN(C)C(N1CCc2c(nccc12)Cl)=O
+CN(C)C(OCC)OCC
+CN(C)C(Oc1cccc(c1)N)=O
+CN(C)C(c1ccc(N)c(C)c1)=O
+CN(C)C(c1oc2c(N3CCNCC3)cc(cc2c1)F)=O
+CN(C)C(c1oc2c(n1)c(c(C)c(c2F)C(=C)OCC)C#N)=O
+CN(C)C1(C)CCNC1
+CN(C)C1(CCC(CC1)=CC(OCC)=O)c2cnccc2
+CN(C)C1CCN(c2ncc(cc2C)Br)C1
+CN(C)C1CCNCC1
+CN(C)C1CN(CC1)C(=O)N
+CN(C)C1CN(c2c(C)ncc(Br)c2)S(=O)(=O)C1
+CN(C)C1CNC1
+CN(C)C1CNCC1
+CN(C)C=C(C#N)C(=O)c1ccccc1
+CN(C)C=C(C#N)C(=O)c1sc(nc1C)NC
+CN(C)C=C(C(C)=O)C(=O)OCC
+CN(C)C=C(C(OCC)=O)C(c1c(c(C#N)c(F)c(c1)F)F)=O
+CN(C)C=C(C(OCC)=O)c1ccc(cc1)C#N
+CN(C)C=C(C=O)c1c(cccc1)OC
+CN(C)C=C([N+]#[C-])C(=O)OCC
+CN(C)C=C(c1cn2c(ncc2)cc1)C(C)=O
+CN(C)C=C(n1nncc1)C(=O)OCC
+CN(C)C=C1C(=O)CCCC1=O
+CN(C)C=C1CCCc2[nH]cc(c2C1=O)C(=O)OCC
+CN(C)C=CC(=O)c1cc(ccc1)C(=O)OC
+CN(C)C=CC(=O)c1ccnc2ccc(C#N)cc12
+CN(C)C=CC(=O)c1ccncc1
+CN(C)C=CC(c1cnc(C)n1C(C)C)=O
+CN(C)C=CC=O
+CN(C)C=Cc1c(Br)cnc(OC)c1[N+]([O-])=O
+CN(C)C=NS(=O)(=O)c1c(Cl)ccc(c1)C(c2ccc(c(c2Cl)Cl)O)=O
+CN(C)C=Nc1[nH]nc(-c2ccc(cc2)[N+](=O)[O-])c1C#N
+CN(C)C=Nc1cc(sc1C(OC)=O)-c2ccc(cc2)Cl
+CN(C)C=Nc1nc(O)c(c(n1)C)[N+](=O)[O-]
+CN(C)C=Nc1nc(sc1C#N)SC
+CN(C)C=O
+CN(C)CC#C
+CN(C)CC(N)C
+CN(C)CC(O)=O
+CN(C)CC(O)CO
+CN(C)CC(O)S(=O)(=O)O
+CN(C)CC1Cc2ccc(N)cc2CC1
+CN(C)CC1NCCC1
+CN(C)CC=CC(O)=O
+CN(C)CCC#N
+CN(C)CCC(=O)O
+CN(C)CCCC(=O)O
+CN(C)CCCC1c2c(CCc3ccccc13)cc(O)cc2
+CN(C)CCCCN
+CN(C)CCCCl
+CN(C)CCCN
+CN(C)CCCN=C=NCC
+CN(C)CCCNC
+CN(C)CCCO
+CN(C)CCCc1c2c([nH]c1)CCCC2
+CN(C)CCCl
+CN(C)CCN
+CN(C)CCN1CCOc2c1cc3NCCCc3c2
+CN(C)CCN1CCSc2cc([N+](=O)[O-])ccc12
+CN(C)CCN1c2c(cc(cn2)Br)C(=O)C(C(OCC)=O)=C1
+CN(C)CCNC
+CN(C)CCNC(=O)c1cccc2nc3c(c4ccc(OC)cc4cc3)nc12
+CN(C)CCNCc1ccccc1
+CN(C)CCNc1c(F)cc(c(c1)N)[N+]([O-])=O
+CN(C)CCNc1c2c(c(Br)ccc2)ccn1
+CN(C)CCNc1cc(Br)cc(F)c1
+CN(C)CCO
+CN(C)CCON
+CN(C)CCOc1c([N+](=O)[O-])cc(cc1)Br
+CN(C)CCOc1c(ccc(c1)NC(c2cc(c(cc2)Br)C)=O)OC
+CN(C)CCOc1cc2cc(C(O)=O)[nH]c2cc1
+CN(C)CCS
+CN(C)CCc1cc(Br)ccc1OC
+CN(C)CCc1ccc(cc1)N
+CN(C)CCc1nnc(n1-c2ccc(F)cc2C(c3ccccc3Cl)=O)CO
+CN(C)CN(C)C
+CN(C)Cc1c2cc(C(OC)=O)ccc2[nH]c1
+CN(C)Cc1cn2c(SC)nc(cc2n1)Cl
+CN(C)Cc1cncc(Br)c1
+CN(C)Cc1nc(CO)ccc1
+CN(C)Cc1nn(c(c1)N)C
+CN(C)S(=O)(=O)N
+CN(C)S(=O)(=O)c1ccc(Br)cc1C(O)=O
+CN(C)S(=O)(=O)n1c(ncc1)Br
+CN(C)c1c(O)c2CCNCc2cc1
+CN(C)c1c(ccc(c1)[N+](=O)[O-])O
+CN(C)c1c2cccc(S(=O)(=O)Cl)c2ccc1
+CN(C)c1cc(C(Cl)=O)ccc1
+CN(C)c1cc(ccc1)CO
+CN(C)c1cc(ccn1)Br
+CN(C)c1cc(ccn1)C(O)=O
+CN(C)c1cc(ncn1)Cl
+CN(C)c1cc2c(cc1)C(OC2)=O
+CN(C)c1ccc(cc1)C=O
+CN(C)c1ccc(cc1)CN
+CN(C)c1ccc(cc1[N+]([O-])=O)N=C(N)N
+CN(C)c1ccc(cn1)B(O)O
+CN(C)c1cccc(N(C)C)c1
+CN(C)c1cccc(N)c1
+CN(C)c1cccc(c1)-c2c3n(nc(n3)N)ccc2
+CN(C)c1ccccc1C=O
+CN(C)c1n(Cc2ccccc2F)nc(C(=O)OCC)c1
+CN(C)c1nc(ccc1C#N)Oc2ccc(c(C=O)c2)Br
+CN(C)c1nc2c([nH]1)c(C(=O)OC)cc([N+]([O-])=O)c2
+CN(C)c1oc2c(n1)cc(cc2)Oc3cc4c(nc(C(=O)OCCCC)c(c4cc3)O)O
+CN1C(C(Br)=NC(Br)=C1)=O
+CN1C(CCCC1)CCc2c(N)cccc2
+CN1C(NC(C(=C1)C)=O)=O
+CN1C=C(Br)C=C(C1=O)Br
+CN1c2c(nc[nH]2)C(N(C)C1=O)=O
+CN1c2ccccc2C(N)=C(C1=O)N
+CN=C=S
+CNC
+CNCCCCC=C
+CNCCc1ccc(c(OC)c1)OC
+CNCc1ccc(Br)c(Cl)c1
+CNc1c(CC=C)cccc1
+CO
+COC(=O)C(C(=O)OC)=COC
+COC(=O)C=Cc1ccccc1I
+COC(=O)Cc1cc(OC)c(cc1)OC
+COC(=O)c1c(cccc1I)C(OC)=O
+COC(C#CC(OC)=O)=O
+COC(C(=O)OC)=O
+COC(OC)(C)C
+COC(OC)(N(C)C)C
+COC(OC)(OC)CC
+COC(OC)(OC)CCC
+COC(OC)(OC)CCl
+COC(OC)C(=O)C
+COC(OC)C=C
+COC(OC)CC(OC)OC
+COC(OC)CCBr
+COC(OC)CN
+COC(OC)CN1c2c(ccc(n2)OC)N=CC1=O
+COC(OC)CNC(=O)OCC
+COC(OC)CNCc1ccc(cc1)F
+COC(OC)c1c(F)cncc1N=[N+]=[N-]
+COC(OC)c1c([N+]([O-])=O)ccc(Oc2cccc(N)c2)c1
+COC(OC)c1cnc(c(Br)c1)C
+COC(OC)c1nc2NCCCc2cc1N3CCOCC3=O
+COC(OC)c1nc2c(cc1C=O)CCCN2
+COC1=NCCCCC1
+COC1CNC(C(OC)=O)C1
+COC=1C(OC(C=1)=O)=O
+COCC(COC)(c1ccc(cc1)OCOCCOC)C(OC)=O
+COCC(COC)O
+COCCOC
+CON
+COP(OC)(=O)C
+COP(OC)(=O)C(OC)C(OC)=O
+COP(OC)(=O)CC(OC)=O
+COP(OC)(=O)c1ccc(cc1)Cl
+COP(OC)OC
+COc1[nH]c(nn1)Br
+COc1c(C(=O)OC)cc(cc1C)Br
+COc1c(C(=O)OC)cc(cn1)F
+COc1c(C)c([N+]([O-])=O)ccc1
+COc1c(C=O)c(cc(c1OC)OC)C
+COc1c(Cl)cc(F)c(C(C(N)=O)N)c1
+COc1c(Cl)cc(c(c1)C(=O)O)F
+COc1c(Cl)nc(Cl)nc1
+COc1c(F)cc2[nH]c(c(CCN)c2c1)C(=O)O
+COc1c(F)ccc(C(C)N)c1
+COc1c(F)ccc(c1)O
+COc1c(F)cccc1Br
+COc1c(F)cccc1C(=O)O
+COc1c(N)c(C)cc(c1)Br
+COc1c(O)cc2c(c(ncn2)Cl)c1
+COc1c(OC)c(cc2c1ccc(c2)C(O)=O)OC
+COc1c(OC)cc(C=Cc2[nH]c3c(n2)C(=O)N(CCC)C(N3CCC)=O)cc1
+COc1c(c(Cl)ccc1)C
+COc1c(c(Cn2cc(I)c3c(nc(nc23)N)Cl)ncc1C)C
+COc1c(c(c(Cl)cc1C(Cl)C)C)-c2cc(C#N)ncc2
+COc1c(cc(C)c2C(=O)C(Nc12)=O)F
+COc1c(cc(F)c(CC(OC)=O)c1)C#N
+COc1c(cc(OC)cc1)CCN
+COc1c(cc(c(N)c1C(=O)OC)[N+]([O-])=O)Br
+COc1c(cc2c(c(C)nnc2O)c1)OC
+COc1c(cc2ncc(C#N)c(c2c1)Cl)F
+COc1c(cccc1)[Mg]Br
+COc1c(cccc1Br)C(=O)O
+COc1c2[nH]ccc2ccc1
+COc1c2c(C(=O)OC)cnn2cc(c1)Br
+COc1c2c(c(Cl)nc1)[nH]cc2C(=O)C(O)=O
+COc1c2nc(nc(Cl)c2ccc1C)Cl
+COc1cc(-c2cnn(C)c2)cn3nccc13
+COc1cc(-n2nccc2)ccc1-c3nnc(cc3)Cl
+COc1cc(Br)c(Cl)cc1I
+COc1cc(Br)c(c2C(=O)C(Nc12)=O)Cl
+COc1cc(C)ccc1O
+COc1cc(CBr)cc(Cl)n1
+COc1cc(Cl)c(C#N)cc1Br
+COc1cc(OCOC)c(cc1)C(=O)O
+COc1cc([N+]([O-])=O)ccc1C
+COc1cc([N+]([O-])=O)ccc1C(=O)O
+COc1cc([N+]([O-])=O)ccc1Cl
+COc1cc([N+]([O-])=O)ccc1F
+COc1cc([N+]([O-])=O)ccc1O
+COc1cc(c(Cl)cc1)-c2cc(C)c3nc(N)nnc3c2
+COc1cc(c(cc1Br)Cl)C(=O)O
+COc1cc(cc(F)c1[N+]([O-])=O)Br
+COc1cc(cc(OC)c1)C(OC)=O
+COc1cc(cc(OC)c1)C2=CC(=O)c3c(cc(O)cc3)O2
+COc1cc(cc(OC)c1)C=C[N+]([O-])=O
+COc1cc(cc(OC)c1)CN
+COc1cc(cc(OC)c1)N=C=S
+COc1cc(cc(OC)c1)NC(=N)SC
+COc1cc(cc(OC)c1O)C2c3c(cc4OCOc4c3)C(N=[N+]=[N-])C5C(=O)OCC25
+COc1cc(cc(OC)c1OC)C(=O)Cl
+COc1cc(cc(OC)c1OC)C(O)=O
+COc1cc(ccc1C(=O)O)F
+COc1cc2C(C#N)=Cc2cc1
+COc1cc2C(N(c3c(C)ccc(c3)C(=O)OC)C=Nc2cc1)=O
+COc1cc2CC(=O)CCc2cc1
+COc1cc2CCCC(c2cc1)=O
+COc1cc2CCNc2cc1OC
+COc1cc2OCC(c2cc1)=O
+COc1cc2OCCNC(c2cc1)=O
+COc1cc2c(C(C(=O)O)CC2)cc1
+COc1cc2c(Sc3cccc(c3CC2=O)C#N)cc1
+COc1cc2c(cc1)C(C(CC(=O)O)C2)=O
+COc1cc2c(cc1)N=CC(=O)N2CC=O
+COc1cc2c(cc1)cccc2C(O)CN
+COc1cc2c(cc1)nc(O)cc2C
+COc1cc2c(cc1)nc(cc2C)Cl
+COc1cc2c(cc1F)C(C(CCCC)C2)=O
+COc1cc2c(ccc(n2)C)cc1F
+COc1cc2c(nc(nc2Cl)Cl)cc1
+COc1cc2c(ncnc2cc1)Cl
+COc1cc2c[nH]nc2cc1Br
+COc1cc2nnc(c(c2cc1Br)Nc3c(F)cc(C)cc3)C(=O)N
+COc1ccc(Br)c(C#N)c1
+COc1ccc(Br)c(c1)C(=O)O
+COc1ccc(C(=O)C)c(c1)O
+COc1ccc(C(=O)O)c([N+]([O-])=O)c1
+COc1ccc(C(=O)OC)c(C(=O)C)c1
+COc1ccc(CC(OC)=O)c(C)c1
+COc1ccc(Cl)c(C)c1
+COc1ccc(Cl)c(I)c1
+COc1ccc(Cl)c(c1)CC(=O)O
+COc1ccc(Nc2n(CC)ncc2)c(c1)C(=O)O
+COc1ccc([N+]([O-])=O)c(C#N)c1
+COc1ccc([N+]([O-])=O)c(c1)C(=O)O
+COc1ccc(c(C#N)c1)F
+COc1ccc(c(C(=O)C)c1)O
+COc1ccc(c(C)c1)Br
+COc1ccc(c(C)c1)C(=O)O
+COc1ccc(c(C)c1)[N+]([O-])=O
+COc1ccc(c(Cl)c1)CC(=O)O
+COc1ccc(c(S)c1)C(=O)O
+COc1ccc(c([N+]([O-])=O)c1)Br
+COc1ccc(c([N+]([O-])=O)c1)C
+COc1ccc(c([N+]([O-])=O)c1)O
+COc1ccc(c(c1)C(=O)O)F
+COc1ccc(c(c1)O)C
+COc1ccc(cc1OC)-c2c3c(cc(OC)c(OC)c3)nc(C)c2C(=O)C
+COc1ccc2CCCC(N)c2c1
+COc1ccc2c(NC(=O)C(C)O2)c1
+COc1ccc2c(Sc3c(cc(SC)cc3)C(O)C2)c1
+COc1ccc2c(c1)C(C(OC)=O)CNC2
+COc1ccc2c(c1)C(CC2)C(OC)=O
+COc1ccc2c(c1)C=CC2=O
+COc1ccc2cc[nH]c2c1
+COc1ccc2nc(c(Cl)nc2c1)Cl
+COc1cccc(-c2c(c(sc2)N)C#N)c1
+COc1cccc(C#N)c1
+COc1cccc(C(C)N)c1
+COc1cccc(C(CBr)=O)c1
+COc1cccc(C(Cl)=O)c1
+COc1cccc(C)c1C
+COc1cccc(C)c1C(N(OC)C)=O
+COc1cccc(CBr)c1
+COc1cccc(CC#N)c1
+COc1cccc(CCBr)c1
+COc1cccc(CCC(=O)O)c1
+COc1cccc(CO)c1
+COc1cccc(Cl)c1Cl
+COc1cccc(Cl)c1F
+COc1cccc(F)c1C#N
+COc1cccc(I)c1
+COc1cccc(NC(C)=O)c1
+COc1cccc(NN)c1
+COc1cccc(O)c1
+COc1cccc(OC)c1-c2ncccc2
+COc1cccc(c1)C#C
+COc1cccc(c1)C(=O)C
+COc1cccc(c1)C2(CC)C(NCCCC2)=O
+COc1cccc(c1)CC2C(CCCC2)=O
+COc1cccc(c1)CCN
+COc1cccc(c1)CCO
+COc1cccc(c1)CC[Mg]Br
+COc1cccc(c1)CCl
+COc1cccc(c1)F
+COc1cccc(c1)N=C=O
+COc1cccc(c1Br)C(=O)O
+COc1cccc(c1C)NC(CCl)=O
+COc1cccc(c1I)O
+COc1cccc2c(O)nc(C)nc12
+COc1cccc2c1CCCC(=O)C2
+COc1cccc2c1nccc2O
+COc1cccc2c1oc(C)c2
+COc1cccc2ccc(Cl)nc12
+COc1cccc2sncc12
+COc1cnc(C)cc1
+COc1nc(CO)c(cc1)Br
+COc1nc(CO)ccc1
+COc1nc(ccc1)N
+COc1nc(nc(OC)c1)Cl
+COc1nc2c(C(NCC2)=O)cc1
+COc1nc2c(c(nc(n2)NCCCC)N)[nH]1
+COc1nc2c(nccc2C=C)cc1
+COc1nc2c(nccc2CCN3CCOC(C3)CN)cc1
+COc1nccc(c1)C(=O)OC
+COc1ncnc(Cl)c1
+COc1nnc(-n2nc(cc2-c3ccc(cn3)C#N)C(=O)OC)cc1
+COc1nnc(cc1)N
+CS(C)=O
+CS(O)=O
+CSC
+CSC(SC)=C(C(N)=O)C#N
+CSC(SC)=C[N+]([O-])=O
+CSSC
+C[Mg]Cl
+C[N+](C)(C)Cc1c2c(cccc2n(C)c1)C
+C[N+](C)(C)N
+C[O+](C)C
+C[PH](C)=O
+C[S+](C)(C)=O
+C[S+](C)C
+C[S+](C)CCCl
+C[Si](C)(C)Br
+C[Si](C)(C)C#C
+C[Si](C)(C)C#CC(CC)(C(F)(F)F)O
+C[Si](C)(C)C#CC(O)(CC1=CC(=O)OC(C)(C)O1)C2CCCC2
+C[Si](C)(C)C#CC(O)c1c(C#Cc2ccccc2)cccc1
+C[Si](C)(C)C#CC1(CCNCC1)O
+C[Si](C)(C)C#CC1CCCCC1
+C[Si](C)(C)C#CCC
+C[Si](C)(C)C#CCCCCC(=O)Cl
+C[Si](C)(C)C#CCCN=[N+]=[N-]
+C[Si](C)(C)C#Cc1c(C)cncc1
+C[Si](C)(C)C#Cc1c(N=NN(CC)CC)c(-c2cccc(c2)F)c(C(OC)=O)cc1Cl
+C[Si](C)(C)C#Cc1c2c(-c3ccccc3)noc2c(c(n1)C(OCC)=O)O
+C[Si](C)(C)C#Cc1cc(c(C(=O)OC(C)C)cc1)CN(C)C2CC2
+C[Si](C)(C)C#Cc1cc(c(OC(C)C)cc1)C(=O)OC
+C[Si](C)(C)C#Cc1cc2c(ncc(C#N)c2O)cn1
+C[Si](C)(C)C#Cc1ccc(Cl)nc1
+C[Si](C)(C)C#Cc1ccc(cc1)C2=C(C(=C(C#N)C#N)OC2(C)C)C#N
+C[Si](C)(C)C#Cc1ccc(cc1)OCCCCCC
+C[Si](C)(C)C#Cc1ccc(cc1)OCCO
+C[Si](C)(C)C#Cc1ccc(cc1)[Si](C)(C)C
+C[Si](C)(C)C#Cc1ccc(nc1)NCC2CC2
+C[Si](C)(C)C#Cc1cccc(-c2n(nc3c2cccc3C(F)(F)F)Cc4c(cc(cc4F)F)F)c1
+C[Si](C)(C)C#Cc1cccc(Br)c1
+C[Si](C)(C)C#Cc1cccc(C#N)c1
+C[Si](C)(C)C#Cc1ccccc1
+C[Si](C)(C)C#Cc1ccccc1N
+C[Si](C)(C)C#Cc1ccnc(c1)C
+C[Si](C)(C)C#Cc1n2c(cccn2)nc1
+C[Si](C)(C)C#Cc1nn(c(N2CCCC2)n1)C
+C[Si](C)(C)C#N
+C[Si](C)(C)C=[N+]=[N-]
+C[Si](C)(C)CC(C(=O)OCC)NC(c1cccc(c1)I)=O
+C[Si](C)(C)CC(C(O)=O)N
+C[Si](C)(C)CC=C
+C[Si](C)(C)CCO
+C[Si](C)(C)CCOC(=O)N1C(C(OC)=O)CC(O)C1
+C[Si](C)(C)CCOC(Cl)=O
+C[Si](C)(C)CCOC(ON1C(=O)CCC1=O)=O
+C[Si](C)(C)CCOCCl
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2c(ccn2)nc(C(C)=O)c1
+C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1n2ncc(c2nc(c1)C=O)-c3cnc4c(cccc4)c3
+C[Si](C)(C)CCOCN1C(=O)N(C2CCOCC2)c3nc(ncc13)Cl
+C[Si](C)(C)CCOCN1C(C(CCC1)(CC#C)NC(=O)OC(C)(C)C)=O
+C[Si](C)(C)CCOCOc1c(Br)c(cc(C(O)=O)c1)OCc2ccccc2
+C[Si](C)(C)CCOCOc1c2c(cccc2)cc(CO)c1
+C[Si](C)(C)CCOCOc1cc(cc2c1cccc2)OC(C)(C)C(OCC)=O
+C[Si](C)(C)CCOCOc1ccc(C(=N)NO)c2occc12
+C[Si](C)(C)CCOCn1c(-c2ccc(cc2)O)nc3N=CN(C(=O)c13)CCC
+C[Si](C)(C)CCOCn1c(Cl)cc2nc(-c3ccc(cc3)-c4ccccc4)c(Cl)cc12
+C[Si](C)(C)CCOCn1c(c(nc1)Cl)C(=O)O
+C[Si](C)(C)CCOCn1c(nc(C#N)c1)C(O)=O
+C[Si](C)(C)CCOCn1c(nc2c1c(O)nc(Cl)n2)C3CCCC3
+C[Si](C)(C)CCOCn1c2c(c(C(F)(F)F)c1)c(Cl)ccn2
+C[Si](C)(C)CCOCn1c2c(c(ncn2)-c3c(C)cc(cc3)C)c(C(=O)O)c1
+C[Si](C)(C)CCOCn1c2c(c(nnc2)O)c(Cl)c1
+C[Si](C)(C)CCOCn1c2c(c3c1cnc(C#N)c3)cc(cn2)N
+C[Si](C)(C)CCOCn1c2c(c3cc(ncc13)C#N)c(ccn2)Cl
+C[Si](C)(C)CCOCn1c2c(nc(Br)c(n2)C)c(C(O)=O)c1
+C[Si](C)(C)CCOCn1c2c(nc(cn2)N3Cc4c(cccc4Cl)C3=O)c(c1)C=O
+C[Si](C)(C)CCOCn1c2cc(ccc2c(n1)C(=O)OC)Br
+C[Si](C)(C)CCOCn1c2ncc(nc2c(c1)C(=O)C(C)(C)C)Br
+C[Si](C)(C)CCOCn1c2ncc(nc2c(c1)C(O)=O)C3CC3
+C[Si](C)(C)CCOCn1c2ncnc(-c3cnn(C(C)(C)CC(=O)OCC)c3)c2cc1
+C[Si](C)(C)CCOCn1c2ncnc(c2cc1)-c3cn(C4(CNC4)CC#N)nc3
+C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc2c(C3=CCCCC3)cc(C4CCNCC4)cc2
+C[Si](C)(C)CCOCn1cc(C(NC(CC(O)=O)C)=O)c2c1ncc(C3CC3)n2
+C[Si](C)(C)CCOCn1cc(c2c(ncnc12)Cl)-c3cc(ccc3)C#N
+C[Si](C)(C)CCOCn1cc(c2nc(-c3nn(C)c4cc(F)ccc34)cnc12)C=O
+C[Si](C)(C)CCOCn1cc(c2nc(Br)cnc12)C=O
+C[Si](C)(C)CCOCn1cc(nc1-c2c(Cl)cc(Br)cc2)C(F)(F)F
+C[Si](C)(C)CCOCn1ccc2c(-c3cn(C(CN4CCN(CC4)C(OCc5ccccc5)=O)C)nc3)ncnc12
+C[Si](C)(C)CCOCn1ccc2c(Cl)c(cnc12)Br
+C[Si](C)(C)CCOCn1ccc2c(NC3C(C)CCCC3)c(cnc12)C(=O)O
+C[Si](C)(C)CCOCn1ccc2c(ccnc12)Cl
+C[Si](C)(C)CCOCn1ccc2c(ccnc12)N
+C[Si](C)(C)CCOCn1ccc2c(ncnc12)-c3cn(C4CCC(CC4)CO)nc3
+C[Si](C)(C)CCOCn1ccc2c1ncnc2-c3c[nH]nc3
+C[Si](C)(C)CCOCn1ccc2c3c(C(N(C)CN3C4CCC(CC4)CO[Si](C)(C)C(C)(C)C)=O)cnc12
+C[Si](C)(C)CCOCn1nc2c(C=O)cc(F)cc2c1
+C[Si](C)(C)CCOCn1ncc(-c2ccc(nn2)Cl)c1
+C[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1
+C[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1-c2cc3C4(CC4)C(N(c5c(c(OC)cc(c5F)OC)F)Cc3cn2)=O
+C[Si](C)(C)CCOCn1ncc2cc(I)ccc12
+C[Si](C)(C)CCOCn1ncc2nc(C=C)c(cc12)NC(=O)OC(C)(C)C
+C[Si](C)(C)CCS
+C[Si](C)(C)CN
+C[Si](C)(C)CN(COC)Cc1ccccc1
+C[Si](C)(C)CN(Cc1ccccc1)COCCCC
+C[Si](C)(C)CN=[N+]=[N-]
+C[Si](C)(C)CNC(c1ccc(-n2ncnc2)c(c1)C#N)=O
+C[Si](C)(C)Cl
+C[Si](C)(C)Cn1c(C(OCC)=O)c(-c2ccc(cc2)Br)nn1
+C[Si](C)(C)N=C=N[Si](C)(C)C
+C[Si](C)(C)N=C=O
+C[Si](C)(C)N=[N+]=[N-]
+C[Si](C)(C)N[Si](C)(C)C
+C[Si](C)(C)OC(C)(C)C#C
+C[Si](C)(C)OC(OC)=C(C)C
+C[Si](C)(C)OC(c1nc(C)sc1)C#N
+C[Si](C)(C)OC1(CC1)OCC
+C[Si](C)(C)OC1(CCSc2ccc(Cl)cc12)C#N
+C[Si](C)(C)OCC1OC(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=O
+C[Si](C)(C)OCc1ccnc(C#N)c1
+C[Si](C)(C)ON
+C[Si](C)(C)OS(=O)(=O)C(F)(F)F
+C[Si](C)(C)c1[nH]nc(C(=O)OCC)c1
+C[Si](C)(C)c1c(F)cnc([Zn+])c1F
+C[Si](C)(C)c1c(c(Cl)ccc1)C(=O)Cl
+C[Si](C)(C)c1c(nnc(Cl)c1)Cl
+C[Si](C)(C)c1c2c(cc(C(OCC)=O)[nH]2)ccc1
+C[Si](C)(C)c1cc(F)c(cc1)NC2=C(C(N3C(=C2[N+]([O-])=O)SCC3)=O)C
+C[Si](C)(C)c1cc(c(cc1)C)Oc2oc(cc2)C(Nc3c(OC)nc(nc3OC)NCCOCc4ccccc4)=O
+C[Si](C)(C)c1cc(c(cc1)NC2=C(C(=O)N3C(OCC3)=C2[N+]([O-])=O)C)F
+C[Si](C)(C)c1cc(ccc1)C#C
+C[Si](C)(C)c1cc2n(c(C(O)=O)cc2cc1)Cc3cccc(c3)F
+C[Si](C)(C)c1ccc(Nc2c(C(=O)O)ncc(n2)Cl)c(F)c1
+C[Si](C)(C)c1ccc([N+](=O)[O-])c(F)c1
+C[Si](C)(C)c1ccc(c(F)c1)Nc2c(C(=O)OC(C)(C)C)ccc3sncc23
+C[Si](C)(C)c1ccc(cc1)C=C(c2cc(C)[nH]n2)F
+C[Si](C)(C)c1ccc(cc1)C=O
+C[Si](C)(C)c1ccc(cc1)[N+](=O)[O-]
+C[Si](C)(CCCO)CCCC
+C[Si](C)(CCl)Cl
+C[Sn](C)(C)C
+C[Sn](C)(C)N=[N+]=[N-]
+C[Sn](C)(C)c1cc(NC(=O)OC)ncc1
+C[Sn](C)(C)c1cc(ccn1)C(=O)OC
+C[Sn](C)(C)c1ccc(C2=NOC(C2)CO)s1
+C[Sn](C)(C)c1ccc(cc1)C=2CC(CO[Si](C)(C)C(C)(C)C)ON=2
+C[Sn](C)(C)c1ccc(cn1)S(=O)(=O)N(C)CC
+C[Zn]C
+Cc1[nH]c2c(n1)c(C)cc(C(=O)OC)n2
+Cc1c(-c2cc3c(c(O)c([N+]([O-])=O)cn3)cc2OC)c(C)on1
+Cc1c(-c2cc3ncc([N+]([O-])=O)c(c3cc2OC)Cl)c(C)on1
+Cc1c(-c2ccc3nc(n4C(COc2c34)c5ncccc5)Cl)c(C)on1
+Cc1c(-c2occc2)ccc(c1)C(=O)C
+Cc1c(-c2sc(c(C#N)c2-c3cccnc3)SC)cc(cc1)Nc4cc(O)ccc4
+Cc1c(C(=O)C)n(c(C)n1)C
+Cc1c(C(=O)O)c(C)on1
+Cc1c(C(=O)OC)n(nn1)-c2ccc(cc2OC)Br
+Cc1c(C(C)C(OCC)=O)ccc([N+]([O-])=O)n1
+Cc1c(C(N)=S)c2n(cccc2)n1
+Cc1c(C)c([N+]([O-])=O)ccc1
+Cc1c(C)c(c(C)c(C)c1OCCOCC)-c2cccc(C=O)c2
+Cc1c(C)cc(c(Br)c1)[N+]([O-])=O
+Cc1c(C)cco1
+Cc1c(CCC)c2n(ncn2)cn1
+Cc1c(CCCCCC)c(nc(n1)N)O
+Cc1c(CN)c(cc(C)n1)O
+Cc1c(Cl)nnc(N)c1C
+Cc1c(N=C=O)c(C)on1
+Cc1c(O)nc2c(cccc2Br)n1
+Cc1c(O)nc2c(cccc2Cl)n1
+Cc1c(c(-c2cc(C)c(cc2)Br)on1)C(=O)OC
+Cc1c(c(-n2c3c(cc(Cl)cc3)cc2)n(C)n1)C=O
+Cc1c(c(C(CC#C)N)ccc1)C
+Cc1c(c(C)on1)-c2c(C)c(nc(-c3cc(ccc3Cl)O)n2)NC4CCNC(C)C4
+Cc1c(c(Cl)cc(C)n1)[N+]([O-])=O
+Cc1c(c(Cl)nc(Cl)n1)C
+Cc1c(c(Cl)nc(Cl)n1)CCl
+Cc1c(c(Cl)nc(Cl)n1)[N+]([O-])=O
+Cc1c(c(N)cc(C)n1)C(=O)OCC
+Cc1c(c(O)nc(SC)n1)C(C)CC
+Cc1c(c([N+]([O-])=O)ccc1)Br
+Cc1c(c([nH]n1)C)Cl
+Cc1c(c(c(C#N)c(O)n1)C)F
+Cc1c(c(c2cc(C#N)ccc2n1)Cl)C(=O)OC
+Cc1c(c(nc(n1)N)O)Br
+Cc1c(cc(C#N)c(O)n1)C(=O)C
+Cc1c(cc(C(=O)N)c(O)n1)C(=O)C
+Cc1c(cc(c(O)n1)Br)Br
+Cc1c(cc2N=CC(N(CC(=O)O)c2c1)=O)C
+Cc1c(cc2c(ccc(c2)Br)n1)C(=O)OCC
+Cc1c(cc2c(n1)nc(SC)nc2)O
+Cc1c(cc2ccc(cc2n1)OC)C(=O)O
+Cc1c(cc2ccccc2c1)C=O
+Cc1c(ccc(C#N)c1)Br
+Cc1c(ccc(C)n1)O
+Cc1c(ccc(C)n1)[N+]([O-])=O
+Cc1c(ccc(F)n1)[N+]([O-])=O
+Cc1c(ccc(c1)C(=O)OC)Br
+Cc1c(ccc(c1)C=O)C
+Cc1c(ccc(c1)O)Br
+Cc1c(ccc(n1)N)Br
+Cc1c(ccc(n1)N)C#N
+Cc1c(cccc1)-c2c(ccc(N)c2C)SC#N
+Cc1c(cccc1)-c2nc(nc3CCNCc23)Cl
+Cc1c(cccn1)Cc2cc3c(o2)ccc(CC(OC)=O)c3
+Cc1c(nc(-c2cc(ccc2)Br)o1)CC#N
+Cc1c(nc2c(cccc2-c3cc4c(CCNC4=O)[nH]3)n1)F
+Cc1c(sc(C)n1)C(CBr)=O
+Cc1c(sc(C)n1)CNc2nc(SC)nc(Cl)c2C
+Cc1c2OCOc2ccn1
+Cc1c2[nH]ccc2ccc1
+Cc1c2c(-c3ccc(Cl)cc3N(C2=O)C)ccn1
+Cc1c2c(O)nc(CCC)nc2on1
+Cc1c2c([nH]cc2)c(cc1)[N+]([O-])=O
+Cc1c2c([nH]cc2)ncn1
+Cc1c2c([nH]n1)ncnc2N
+Cc1c2c(nc(Br)cc2C(=O)OCC)n(C3CCCCO3)n1
+Cc1c2c(nn1C)ccc(c2C(=O)OC)Br
+Cc1c2cc(c(F)cc2[nH]n1)Br
+Cc1c2cc(ccc2[nH]n1)Br
+Cc1c2ccc(N)cc2nn1C
+Cc1c2ccc(N3CC(CO)OC3=O)cc2on1
+Cc1c2cccn2ccn1
+Cc1c2nc(C3C(C(C(Br)C)=O)C3)nn2c(C)cn1
+Cc1c2nc(C3C(C3)C(OCC)=O)nn2c(C)cn1
+Cc1c2nc(nn2c(C)cn1)CCc3ccc(cn3)O
+Cc1cc(C#N)cc(c1)-c2onc(n2)-c3ncccc3
+Cc1cc(C)c(C(=O)OC)cc1
+Cc1cc(C)c(Cl)cc1
+Cc1cc(C)c(O)c(Br)c1
+Cc1cc(C)c(cc1)C(=O)O
+Cc1cc(C)c(cc1)O
+Cc1cc(C)cc(C)c1
+Cc1cc(C)n[nH]1
+Cc1cc(CBr)cc(c1)C(=O)OC
+Cc1cc(CBr)ccc1
+Cc1cc(CCl)c(C)cc1CCl
+Cc1cc(CO)ccc1
+Cc1cc(Cn2nc(c3ccccc23)C(OC)=O)no1
+Cc1cc(I)ccc1
+Cc1cc(N)c(cc1C)N
+Cc1cc(N=C=O)ccc1
+Cc1cc(O)c(cc1)C(=O)O
+Cc1cc(OC)ccc1OC
+Cc1cc(c(C)cc1)O
+Cc1cc(c(Cl)cc1)O
+Cc1cc(c(F)cc1)O
+Cc1cc(c(cc1)Br)O
+Cc1cc(c(cc1OCCC=C)Br)C
+Cc1cc(c(cc1[N+]([O-])=O)N)C
+Cc1cc(cc(C)c1)-c2c(C(C)CN)c3c(c(cc(c3)C(C)(C)C(OCC)=O)Br)[nH]2
+Cc1cc(cc(C)c1)C=O
+Cc1cc(cc(C)c1)Nc2c(C(OCC)=O)nnc(c2)Cl
+Cc1cc(cc(C)c1-c2c3n(c4c(nc(nc4O)C)c3)ccc2)C
+Cc1cc(cc(C)c1-n2c(C)nc3c(cc(nc23)C)N)C
+Cc1cc(cc(C)c1-n2cnc3c2nc(C)cc3N)C
+Cc1cc(cc(C)c1Br)N2C(NC(C2(C)C)=O)=O
+Cc1cc(cc(C)c1C(CBr)=O)O
+Cc1cc(cc(C)c1C2OC(CC(=O)C2)=O)C
+Cc1cc(cc(C)c1C=CS(=O)(=O)N2CCC(CC2)=O)NC
+Cc1cc(cc(C)c1CC#N)Cl
+Cc1cc(cc(C)c1CC(=O)O)Br
+Cc1cc(cc(C)c1Cl)O
+Cc1cc(cc(C)c1Cl)[N+](=O)[O-]
+Cc1cc(cc(C)c1N)C
+Cc1cc(cc(C)c1Nc2nc3cc(cc([N+](=O)[O-])c3s2)C(=O)OC)C
+Cc1cc(cc(C)c1O)C
+Cc1cc(cc(C)c1O)C#N
+Cc1cc(cc(C)c1O)CC#N
+Cc1cc(cc(C)c1Oc2c(c(nc(Cl)n2)C)[N+](=O)[O-])Br
+Cc1cc(cc(C)c1Oc2nc(cc(NC(CC)CC)c2C)C)Br
+Cc1cc(cc(C)c1S(=O)(=O)Cl)C
+Cc1cc(cc(C)c1S(=O)(=O)N(CCOCC(=O)O)C)OC
+Cc1cc(cc(C)c1[N+](=O)[O-])C
+Cc1cc(cc(C)c1[N+](=O)[O-])C(O)=O
+Cc1cc(cc(C)n1)CO
+Cc1cc(cc(c1F)C(=O)O)Br
+Cc1cc(ccc1)CCO
+Cc1cc(ccc1)Nc2cc(Cl)ncn2
+Cc1cc(ccc1)O
+Cc1cc(ccc1C(=O)C)O
+Cc1cc(ccc1N=C=O)C(=O)OC
+Cc1cc(ccc1OCc2ccccc2N3N=NN(C3=O)C)-c4c(c(n(C)n4)C(=O)OCC)C
+Cc1cc(nc(Br)c1)N
+Cc1cc2C(OC(=O)c2cc1)=O
+Cc1cc2c([N+]([O-])=O)cccc2[nH]1
+Cc1cc2c([nH]1)ccc([N+]([O-])=O)c2
+Cc1cc2c([nH]1)ccc(c2)C(=O)OC
+Cc1cc2c([nH]1)ccc(c2)F
+Cc1cc2c(cc1)cc[nH]2
+Cc1cc2c(cccc2O)[nH]1
+Cc1cc2c(cccc2[nH]1)OC
+Cc1ccc(-c2cnn(C)c2)c(C(=O)OC)c1
+Cc1ccc(Br)c(C(=O)O)c1
+Cc1ccc(C)c(N)c1N
+Cc1ccc(C)c2C(=O)CCCc12
+Cc1ccc(C)n1-c2cc3CCCCn3n2
+Cc1ccc(F)c(Br)c1
+Cc1ccc(O)c2c1nc(c(C)c2C)O
+Cc1ccc([N+]([O-])=O)c(C(=O)O)c1
+Cc1ccc([N+]([O-])=O)c(F)c1
+Cc1ccc(c(C(=O)C)c1)O
+Cc1ccc(c(Cl)c1)C(=O)O
+Cc1ccc(c(Cl)c1)[N+]([O-])=O
+Cc1ccc(cc1F)C#N
+Cc1ccc(cc1F)C(=O)OC
+Cc1ccc2Oc3ccc(C)cc3CC(c2c1)=O
+Cc1ccc2c(ccc(Cl)n2)c1
+Cc1ccc2n[nH]cc2c1
+Cc1cccc(C(=O)C)c1I
+Cc1cccc(C(=O)O)c1Br
+Cc1cccc(C(=O)O)c1I
+Cc1cccc(C)c1Br
+Cc1cccc(C)c1C(CO)C#N
+Cc1cccc(C)c1N
+Cc1cccc(C)c1N(CC(O)C)S(=O)(=O)C
+Cc1cccc(C)c1NCC(C)O
+Cc1ccccc1-c2c(COC)cc(C(=O)OC)cc2
+Cc1ccccc1-c2c(ccc3CC(CO)Oc23)F
+Cc1ccccc1-c2cscc2
+Cc1ccccc1-c2nnsc2
+Cc1ccn2ccnc2c1
+Cc1ccnc(C)c1
+Cc1ccsc1C
+Cc1cn(C)nc1
+Cc1n(c(C)nc1I)-c2ccnc(Cl)c2
+Cc1n[nH]c(C(=O)O)c1C
+Cc1n[nH]c(c1C)C
+Cc1n[nH]c2c1c(O)nc3ccc(Cl)cc23
+Cc1n[nH]c2c1c(ncn2)Cl
+Cc1n[nH]c2cc([N+]([O-])=O)ccc12
+Cc1n[nH]c2cc(ccc12)Br
+Cc1nc(-c2cc(F)ccc2)ncc1C(=O)OCC
+Cc1nc(CCCC)nc(O)c1C
+Cc1nc(Cl)c(c(Cl)c1C)[N+]([O-])=O
+Cc1nc(Cl)c(c(NCCOCCCc2cnccc2)c1C)[N+]([O-])=O
+Cc1nc(Cl)c(c(c1Cl)C)C#N
+Cc1nc(Cl)nc(N)c1[N+]([O-])=O
+Cc1nc(N)nc(NCCCCC)c1Cc2ccc(CC#N)cc2F
+Cc1nc(N)nc2N(C(=O)C=Cc12)CC
+Cc1nc(N2CCC(N3C(C)CCC3)C2)ccc1[N+]([O-])=O
+Cc1nc(O)cc(C)c1Br
+Cc1nc(O)ccc1Br
+Cc1nc(c[nH]1)C#Cc2cccc(C)c2
+Cc1nc(cc(C)c1C#N)N
+Cc1nc(cc(Cl)c1C#N)Cl
+Cc1nc(ccc1Br)Cl
+Cc1nc(ccc1C#C)Cl
+Cc1nc(ccc1C(=O)O)Cl
+Cc1nc(ccc1F)Br
+Cc1nc(ccc1[N+]([O-])=O)Br
+Cc1nc(ccc1[N+]([O-])=O)Cl
+Cc1nc(nc(C)c1)Cl
+Cc1nc(nc(C)c1)NCCCCCN
+Cc1nc(nc(C)c1C)O
+Cc1nc(nc(C)c1O)-n2c(ccc2C)C
+Cc1nc(nc(N)c1C=O)OC
+Cc1nc(nc(c1CC(=O)O)O)S
+Cc1nc2c(C(NC(=O)N2C)=O)[nH]1
+Cc1nc2c(c(N)c1C(=O)OCC)c(c(s2)C)Br
+Cc1nc2c(c(cc(c2)Br)[N+]([O-])=O)[nH]1
+Cc1nc2c(cc3c(CC4(c5cccnc5NC4=O)C3)c2)cc1
+Cc1nc2cc(F)c(F)cc2cc1
+Cc1nc2ccc(Cl)cc2cc1C
+Cc1nc2ccc(F)cc2n3cnc(C)c13
+Cc1nc2n(c(Cl)c1CC(OC)=O)nc(-c3cc(Cl)ccc3)c2
+Cc1nc2nc(SC)ncc2cc1-c3c(cc(F)c(N)c3)Br
+Cc1ncc(C(OC)=O)c(Cl)c1Cl
+Cc1ncc(C)c(OC)c1Cl
+Cc1ncc(C)cc1C
+Cc1ncc(cc1C)Cc2c(nc(N[N+]([O-])=O)nc2)O
+Cc1nccc(C)c1N
+Cc1nccn2cc(-c3ccc(cc3F)F)nc12
+Cc1nn(-c2c(F)cccc2C(=O)OC)cc1C=O
+Cc1nn(cc1C(=O)OCC)-c2c(cccc2F)-c3nccn3C
+Cc1nn(cc1Nc2c([N+]([O-])=O)cnc3ccc(cc23)Br)C
+Cc1nnc(N)[nH]1
+Cc1nnnn1C
+Cc1noc(C)c1-c2cc(C(=O)OC)c3c([nH]c4ccc(OC)cc34)c2
+Cc1noc(C)c1-c2cc(c(N)c(I)c2)[N+]([O-])=O
+Cc1oc(cc1C(=O)OC)-c2cnc(cc2)N
+Cc1oc2cc(N)ccc2c1C(NC)=O
+Cc1oc2cc(ccc2c1C(NC)=O)O
+Cc1onc(-c2ccc(cn2)F)c1C(=O)OCC
+Cc1onc(-c2ncccc2)c1C(=O)OCC
+Cc1onc(c1C(=O)OCC)-c2cc(F)ccc2
+Cc1onc2-c3c(Cl)cccc3N(C4CCCNC4)C(c12)=O
+Cl
+ClC(=O)CC(Cl)=O
+ClC(=O)CC(OC)=O
+ClC(Cl)(Cl)C#N
+ClC(Cl)(Cl)C(=N)OCC=C
+ClC(Cl)(Cl)C(=O)N1CCN(CC1)c2c(ccc(c2)S(=O)(=O)Cl)OC
+ClC(Cl)(Cl)C(=O)c1cc(c2COCCn12)C(OCC)=O
+ClC(Cl)(Cl)C(Cl)(Cl)Cl
+ClC(Cl)(Cl)C(Cl)=O
+ClC(Cl)(Cl)C(N)=N
+ClC(Cl)(Cl)C(N=C=O)=O
+ClC(Cl)(Cl)C(O)O
+ClC(Cl)(Cl)C(OC)=N
+ClC(Cl)(Cl)C(OCc1ccc(cc1)Br)=N
+ClC(Cl)(Cl)C(OCc1ccc(cc1)OC)=N
+ClC(Cl)(Cl)C(OCc1ccccc1)=N
+ClC(Cl)(Cl)CCCl
+ClC(Cl)(Cl)COC(=O)Cl
+ClC(Cl)(Cl)COC(=O)Nc1cccnc1
+ClC(Cl)(Cl)COC(=O)Nc1cccnn1
+ClC(Cl)(Cl)COC(=O)Nc1noc(C(C)(C)C)c1
+ClC(Cl)(Cl)COC(N1CCC(CC1)=C2c3c(CCc4cc(ccc24)C#N)cccn3)=O
+ClC(Cl)(Cl)COC(Nc1c(c(C)no1)C)=O
+ClC(Cl)(Cl)Cc1c2c(cnc(C)c2)ccc1Cl
+ClC(Cl)(Cl)Cl
+ClC(Cl)(Cl)OC(Cl)=O
+ClC(Cl)(Cl)OC(OC(Cl)(Cl)Cl)=O
+ClC(Cl)(Cl)c1n(CCCCOC)c2c(ccc(F)c2)n1
+ClC(Cl)(Cl)c1n(c2c(n1)ccc(Br)c2)-c3ccnc(N)n3
+ClC(Cl)(Cl)c1nc2ccccc2[nH]1
+ClC(Cl)(F)Sc1c[nH]c2c1cccc2
+ClC(Cl)=C(Cl)c1cc(C)cc(C)c1
+ClC(Cl)=C(Cl)c1cc(cc(C(Cl)=C(Cl)Cl)c1)C
+ClC(Cl)=C(Cl)c1cccc(OC)c1
+ClC(Cl)=C1C2CCC1c3c(cccc23)Br
+ClC(Cl)=CC1C(C(O)=O)C1(C)C
+ClC(Cl)=CCCl
+ClC(Cl)=CCON
+ClC(Cl)=CCOc1cc(Cl)c(c(c1)Cl)OCCCOS(=O)(=O)C
+ClC(Cl)=O
+ClC(Cl)=S
+ClC(Cl)C(=O)C1C(C)(C)C1C(OCC)=O
+ClC(Cl)C(=O)O
+ClC(Cl)C(=O)OC
+ClC(Cl)C(=O)OCC
+ClC(Cl)Cl
+ClC(Cl)OC
+ClC(c1cc(C)c(cc1)C(=O)O)=NO
+ClC(c1cccc(c1)F)=NO
+ClC1(Cl)C(Nc2cc(ccc2CC1)OC)=O
+ClC1(Cl)C2CCC(C2CC1=O)CCCCC(OC)CC
+ClC1(Cl)CC1(C)C(O)=O
+ClC1(Cl)CCc2c(NC1=O)ccc3c2cccc3
+ClC=CCCl
+ClCC(CCl)=O
+ClCC(CCl)O
+ClCC=CCCl
+ClCCCOc1cccc(c1CCC)OCC(OCC)=O
+ClCCCl
+ClCCN(CCCl)C
+ClCCN(CCCl)Cc1ccccc1
+ClCCN(CCCl)c1ccc(cc1)N
+ClCCl
+ClCI
+ClCN
+ClCc1nc(N)nc(O)c1
+ClCc1nc(nc(O)c1)-c2ncccc2
+ClCc1ncccc1
+ClCl
+ClI
+ClOCl
+ClP(Cl)(Cl)(Cl)Cl
+ClP(Cl)(Cl)=O
+ClS(Cl)=O
+Cl[Cu]Cl
+Clc1[nH]c2c(n1)cccc2
+Clc1[nH]cnc1
+Clc1c(Br)cc(cc1)O
+Clc1c(Br)ccs1
+Clc1c(C(=O)N)cnc2c1ccs2
+Clc1c(C(=O)O)cc(c(Cl)n1)F
+Clc1c(C(=O)OC)cncc1
+Clc1c(C(Cl)=O)c(F)ccc1
+Clc1c(C)c([n+](cc1)[O-])C
+Clc1c(C)ccc(C#N)c1
+Clc1c(C)ccc(C(=O)C)c1
+Clc1c(C)ccc(O)c1
+Clc1c(CCl)c(F)ccc1
+Clc1c(COc2cccnc2[N+]([O-])=O)c(Cl)c(F)cc1
+Clc1c(Cl)c(c(c(Cl)c1O)Cl)Cl
+Clc1c(Cl)cc(Cl)c(c1)[N+](=O)[O-]
+Clc1c(Cl)cc(O)c(Cl)c1
+Clc1c(Cl)cc(c([N+](=O)[O-])c1)OCC(OCC)=O
+Clc1c(Cl)nccc1
+Clc1c(Cl)nsn1
+Clc1c(F)c(I)ccc1
+Clc1c(F)ccc(O)c1
+Clc1c(F)ncc(O)c1
+Clc1c(N=C=O)cccc1
+Clc1c(O)c(F)cc(c1)Br
+Clc1c(O)nc2ccc(cc2n1)C(=O)OC
+Clc1c(SC)ncc(Br)c1
+Clc1c([N+]([O-])=O)cc(C#N)cc1
+Clc1c([N+]([O-])=O)cc(C(CBr)=O)cc1
+Clc1c([N+]([O-])=O)cc(c(c1)O)F
+Clc1c([N+]([O-])=O)cc(cc1)C(=O)OC
+Clc1c([N+]([O-])=O)cc(cc1)O
+Clc1c(c(Br)ccc1)CBr
+Clc1c(c(C(N)CC(=O)O)ccc1)Cl
+Clc1c(c(F)ccc1)CBr
+Clc1c(c(N=C=O)ccc1)Cl
+Clc1c(c([N+]([O-])=O)ccc1)F
+Clc1c(c(ccc1)C(=O)O)C
+Clc1c(c(ccc1)NN)F
+Clc1c(cc(-n2nccc2)cc1)C(N(OC)C)=O
+Clc1c(cc(I)c(n1)Cl)C#N
+Clc1c(cc(c(Cl)n1)F)C#N
+Clc1c(cc(c(N)c1)OC)OC
+Clc1c(cc(cc1)S(O)=O)[N+]([O-])=O
+Clc1c(cc2c(Cl)ncnc2c1)Cl
+Clc1c(ccc(C)n1)Br
+Clc1c(ccc(C)n1)C(=O)O
+Clc1c(ccc(O)c1)Br
+Clc1c(ccc(O)c1)C#N
+Clc1c(ccc(O)c1)C(=O)O
+Clc1c(cccc1)CC(O)=O
+Clc1c(cccn1)-c2ccncn2
+Clc1c(ccnc1)C(=O)O
+Clc1c(cnc(O)c1Br)[N+](=O)[O-]
+Clc1c(ncc(C(=O)O)c1)NN
+Clc1c(ncc(O)c1)C(=O)C
+Clc1c2OC(CO)Cc2ccc1
+Clc1c2[nH]ccc2ccc1
+Clc1c2c(C(=O)CO2)ccc1
+Clc1c2c(Cl)nc(cc2ccc1)C#N
+Clc1c2c3c(CCNC3)[nH]c2ncc1
+Clc1c2cc[nH]c2ccn1
+Clc1cc(-c2cc(cc(n2)CCl)O)ncc1
+Clc1cc(-c2cc(nn2-c3ncccc3)C(=O)N4CC(=O)NC4)cc(c1)F
+Clc1cc(-c2cc(nn2-c3ncccc3)C(=O)O)cc(c1)F
+Clc1cc(-c2cc3c(nc(N)[nH]3)cc2)cc(c1)F
+Clc1cc(-c2sc(cc2Br)C(=O)OCC)cc(c1)F
+Clc1cc(Br)c(N)c(Cl)c1
+Clc1cc(Br)c(O)c(Cl)c1
+Clc1cc(Br)c(c(c1)F)C#N
+Clc1cc(Br)c(cc1)C=C[N+]([O-])=O
+Clc1cc(Br)c(cc1)C=O
+Clc1cc(Br)c(cc1)O
+Clc1cc(Br)c(cc1)OC
+Clc1cc(Br)c(nc1)Br
+Clc1cc(Br)c2[nH]ccc2c1
+Clc1cc(Br)c2cc[nH]c2n1
+Clc1cc(Br)cc(C)c1
+Clc1cc(Br)cc(Oc2c(Cl)ccc(CN)c2F)c1
+Clc1cc(Br)cc(Oc2c(N)c(OC)ncc2C(=O)OCC)c1
+Clc1cc(Br)cc(Oc2c(N)nccc2C)c1
+Clc1cc(Br)ncc1[N+](=O)[O-]
+Clc1cc(C#N)c(Cl)cc1
+Clc1cc(C#N)c(cc1)[N+]([O-])=O
+Clc1cc(C#N)cc(C)c1O
+Clc1cc(C#N)cc(Oc2c(c(C)ccc2[N+]([O-])=O)F)c1
+Clc1cc(C#N)cc(Oc2c(ccnc2O)C)c1
+Clc1cc(C#N)cc(c1)F
+Clc1cc(C#N)ccc1F
+Clc1cc(C#N)ccc1[N+]([O-])=O
+Clc1cc(C(=O)C)c(Cl)cc1
+Clc1cc(C(=O)C)c(cc1C)O
+Clc1cc(C(=O)O)c(c(c1)O)C
+Clc1cc(C(=O)OC)c(cc1)-c2nc(C)no2
+Clc1cc(C(=O)OC)c(cc1)C=O
+Clc1cc(C(=O)OC)c(cc1)N=Cc2cc(ccc2)Br
+Clc1cc(C(CC)=O)c(cc1)[N+]([O-])=O
+Clc1cc(C(CC)N)ccc1C#N
+Clc1cc(C(Cl)=O)c(Cl)cc1
+Clc1cc(C(Cl)=O)c(cc1)[N+]([O-])=O
+Clc1cc(C(Nc2cc(c(C)cc2)O)=O)ccc1F
+Clc1cc(C)cc(c1)F
+Clc1cc(C2CC(=O)c3cc(ccc3O2)O)ccc1
+Clc1cc(C2CNc3ccccc23)ccc1
+Clc1cc(CNN)c(O)c(I)c1
+Clc1cc(Cl)[n+](cc1C)[O-]
+Clc1cc(Cl)c(C2C(c3ccccc3C(=O)N2C4CCCCC4N)C(O)=O)cc1
+Clc1cc(Cl)c(N)c(I)c1
+Clc1cc(Cl)c(O)c(C=O)c1
+Clc1cc(Cl)c(O)c([N+]([O-])=O)c1
+Clc1cc(Cl)c(c(C)c1)O
+Clc1cc(Cl)nc(C(=O)OC)c1Br
+Clc1cc(Cl)nc(c1)N
+Clc1cc(Cl)nc2c1C(CCC2)=O
+Clc1cc(Cl)ncc1
+Clc1cc(F)c(CBr)cc1
+Clc1cc(F)c(cc1)Br
+Clc1cc(F)c(cc1)C#N
+Clc1cc(N)c(C(=O)OC)c(Cl)c1
+Clc1cc(N)c(S)cc1
+Clc1cc(N)c(c(Cl)c1)[N+]([O-])=O
+Clc1cc(N)c(cc1)C#N
+Clc1cc(N)c(cc1)C(=O)O
+Clc1cc(N)c(cc1)C=CC(OC)=O
+Clc1cc(N)c(cc1)O
+Clc1cc(N)c(cc1)OC
+Clc1cc(N)c(cc1)[N+]([O-])=O
+Clc1cc(N)cc(c1)F
+Clc1cc(N=C=O)ccc1F
+Clc1cc(NC(C)=O)c(C(=O)OC)cc1
+Clc1cc(NN)cnc1
+Clc1cc(O)c(C=O)c(Cl)c1
+Clc1cc(O)c(cc1)C(=O)O
+Clc1cc(O)cc(OC)c1
+Clc1cc(O)ncc1[N+](=O)[O-]
+Clc1cc(OC)c(cc1)C(=O)O
+Clc1cc(S)c(cc1)C(=O)O
+Clc1cc(S)ccc1F
+Clc1cc([N+]([O-])=O)cc(C)c1
+Clc1cc(c(C)cc1)C(=O)O
+Clc1cc(c(Cl)cc1)O
+Clc1cc(c(I)cc1)C(=O)O
+Clc1cc(c(N)c(Cl)c1)C(=O)O
+Clc1cc(c(N)c([N+]([O-])=O)c1)I
+Clc1cc(c(N)c(c1)C(=O)O)Br
+Clc1cc(c(N)cc1)C#N
+Clc1cc(c(N)cc1)C(=O)N
+Clc1cc(c(N)cc1)C(=O)O
+Clc1cc(c(N)cc1)C(=O)OC
+Clc1cc(c(N)cc1)C(=O)c2cnc(C)cc2
+Clc1cc(c(N)cc1)F
+Clc1cc(c(N)cc1)O
+Clc1cc(c(N)cc1Cl)[N+]([O-])=O
+Clc1cc(c(OCC)c(c1)F)Br
+Clc1cc(c([N+](=O)[O-])cc1Cl)F
+Clc1cc(c(c(C(=O)OC)c1)Cl)OC
+Clc1cc(c(cc1)-n2ncnc2)C(=O)O
+Clc1cc(c(cc1)Br)OC
+Clc1cc(c(cc1)C#N)Br
+Clc1cc(c(cc1)C#N)NC2=CC(CCC2)=O
+Clc1cc(c(cc1)C#N)O
+Clc1cc(c(cc1)C(=O)N)OC
+Clc1cc(c(cc1)C(=O)O)Br
+Clc1cc(c(cc1)C(=O)O)F
+Clc1cc(c(cc1)C=O)F
+Clc1cc(c(cc1)C=O)O
+Clc1cc(c(cc1)N)C(O)c2cccc(c2OC)OC
+Clc1cc(c(cc1)N)C(O)c2cccc3c2cccc3
+Clc1cc(c(cc1)O)C(=O)C
+Clc1cc(c(cc1)O)OC
+Clc1cc(c(cc1)OC)C(CN)=O
+Clc1cc(c(cc1)OC)F
+Clc1cc(c(cc1)Sc2cccs2)C(=O)O
+Clc1cc(c(cc1)[N+]([O-])=O)C(=O)O
+Clc1cc(c(cc1)[N+]([O-])=O)F
+Clc1cc(c2OC(=S)Nc2c1)C(=O)OCC
+Clc1cc(c2c(NCCO2)c1)C(=O)O
+Clc1cc(cc(C#N)c1)O
+Clc1cc(cc(C)c1O)Br
+Clc1cc(cc(CO)c1)Br
+Clc1cc(cc(Cl)c1)C(C)(C)C(=O)OC
+Clc1cc(cc(Cl)c1)C(O)=O
+Clc1cc(cc(Cl)c1)C=O
+Clc1cc(cc(Cl)c1)CN
+Clc1cc(cc(Cl)c1)CO
+Clc1cc(cc(Cl)c1)COC(=O)Cl
+Clc1cc(cc(Cl)c1)I
+Clc1cc(cc(Cl)c1)NC(=S)N
+Clc1cc(cc(Cl)c1)S(=O)(=O)C
+Clc1cc(cc(Cl)c1C(OC)=O)C#N
+Clc1cc(cc(Cl)c1C)[N+](=O)[O-]
+Clc1cc(cc(Cl)c1C2CC2)[N+](=O)[O-]
+Clc1cc(cc(Cl)c1CCCC(=O)O)Cl
+Clc1cc(cc(Cl)c1Cl)CO
+Clc1cc(cc(Cl)c1Cl)[N+](=O)[O-]
+Clc1cc(cc(Cl)c1N)C#N
+Clc1cc(cc(Cl)c1N2C=3C(=C(N2)C(C)C)C(=O)N=C(Cc4ccc(cc4)N)N=3)Cl
+Clc1cc(cc(Cl)c1N2NC(=C3C(=O)N=C(Cc4cc(OC)ccc4)N=C23)C(C)C)Cl
+Clc1cc(cc(Cl)c1Nc2c3c(c(ncc3)OC)c4cc(ccc4n2)Br)-c5ccn[nH]5
+Clc1cc(cc(Cl)c1Nc2nc3ccncc3c4c2ccnc4O)C(=O)C
+Clc1cc(cc(Cl)c1O)C
+Clc1cc(cc(Cl)c1O)C(OC)=O
+Clc1cc(cc(Cl)c1O)F
+Clc1cc(cc(Cl)c1Oc2cc3c(C(C)C)c[nH]c3cc2)C=O
+Clc1cc(cc(Cl)c1Oc2cc3c(nc2)ccc(C(O)=O)c3)[N+](=O)[O-]
+Clc1cc(cc(Cl)n1)-c2c3cccnc3[nH]c2
+Clc1cc(cc(Cl)n1)C(=O)OC
+Clc1cc(cc(Cl)n1)C(O)=O
+Clc1cc(cc(c1)Br)O
+Clc1cc(cc(c1)F)Br
+Clc1cc(cc2cccnc12)Br
+Clc1cc(ccc1)NN
+Clc1cc(ccc1)Nc2nc(-c3cc(Cl)ncc3)ncn2
+Clc1cc(ccc1)Nc2ncnc3[nH]nc(N)c23
+Clc1cc(ccc1)O
+Clc1cc(ccc1[N+]([O-])=O)C(=O)C
+Clc1cc(cnc1)Br
+Clc1cc(cnc1)CCN
+Clc1cc(cnc1)O
+Clc1cc(nc(C)c1)N
+Clc1cc(nc2cc(nn12)C(=O)OCC)Cl
+Clc1cc2C(CC(=O)OC)CCCN(C(c3cnc(cc3)NC(c4c(cccc4)Cl)=O)=O)c2cc1
+Clc1cc2C(CCCOc2c(C)c1)=O
+Clc1cc2CC(Nc2cc1)=O
+Clc1cc2CCC(c2cc1)=O
+Clc1cc2CCC3(C(=O)NC(=O)C3)c2cc1
+Clc1cc2CCC3=C(CCC(=O)N3)c2cc1
+Clc1cc2N(C(Sc2cc1)=O)CC(=O)O
+Clc1cc2OC(c3c(NC(C)=O)nccc3-c2cc1)C
+Clc1cc2OCC(CC(OCC)=O)Nc2cc1
+Clc1cc2Sc3c(N(C(C(OCC)=O)C)c2cc1)cc(C#N)cc3
+Clc1cc2c(C)c(C(=O)OCC)sc2cc1
+Clc1cc2c(Cl)cc(Cl)nc2cc1
+Clc1cc2c(O)c([N+]([O-])=O)cnc2cc1
+Clc1cc2c(c(cnc2cc1)C(=O)OCC)Cl
+Clc1cc2c(c(sc2cc1)C(CBr)=O)C
+Clc1cc2c(c[nH]c2cc1)CCN
+Clc1cc2c(cc1)C3c4ccccc4C2(C3)C(O)=O
+Clc1cc2c(cc1)CNCC2
+Clc1cc2c(cc1)N(C(C(=O)O)C)CCC2
+Clc1cc2c(cc1)cc(nc2O)C(=O)OCC
+Clc1cc2c(cc1)ccnc2Cl
+Clc1cc2c(cc1)nc(c(c2-c3cnccc3)C(=O)C)O
+Clc1cc2c(cc1)nc(cc2O)N
+Clc1cc2c(ccnc2cc1)C=O
+Clc1cc2c(n[nH]c2cc1)C(=O)OC
+Clc1cc2c(nc(nc2Cl)Cl)cc1
+Clc1cc2c(ncnc2cc1)Cl
+Clc1cc2c3nc(C)ccc3c(N)nc2cc1
+Clc1cc2cc([nH]c2c(C)c1)C(=O)OCC
+Clc1cc2n(ccn2)cc1
+Clc1cc2n[nH]cc2c(C)n1
+Clc1cc2onc(Cl)c2cc1
+Clc1cc2sc(N)nc2cc1
+Clc1ccc(-c2c(C(C)=O)cccc2)c(F)c1
+Clc1ccc(-n2nc(C)cc2)c(C=O)c1
+Clc1ccc(Br)c(Cl)c1
+Clc1ccc(C#N)c(C)c1
+Clc1ccc(C#N)c(Cl)c1
+Clc1ccc(C#N)c([N+]([O-])=O)c1
+Clc1ccc(C(=O)OC)c([N+]([O-])=O)c1
+Clc1ccc(C(=O)c2oc3c(c2C)ccc(c3)Br)c(Cl)c1
+Clc1ccc(C(C(N)=O)N)c(Cl)c1
+Clc1ccc(C(C)N)c(Cl)c1
+Clc1ccc(C(Cl)=O)c(Cl)c1
+Clc1ccc(C(O)CO)cc1F
+Clc1ccc(C)c(-c2[nH]c(-c3ccnc(n3)N)cc2C(=O)OCC)c1
+Clc1ccc(C)c(Cl)c1
+Clc1ccc(C)nc1Cl
+Clc1ccc(C2=NNC(=S)N2c3c(Cl)cccc3)c(c1)Cl
+Clc1ccc(C=CC(N)=O)cc1F
+Clc1ccc(C=O)c(Cl)c1
+Clc1ccc(CC)c(-c2[nH]c(-c3ccnc(n3)N)cc2C(=O)OCC)c1
+Clc1ccc(CCO)c(Cl)c1
+Clc1ccc(Cl)c(CBr)c1
+Clc1ccc(Cl)c(SCC#C)c1
+Clc1ccc(Cl)c([N+]([O-])=O)c1
+Clc1ccc(Cl)nc1Cl
+Clc1ccc(F)c(C=O)c1
+Clc1ccc(I)c(Cl)c1
+Clc1ccc(N)c(C(=O)c2ccccc2Cl)c1
+Clc1ccc(N)c(C2=CC(=O)N3C(CCC3=C2)C(OCC)=O)c1
+Clc1ccc(N)c(C=O)c1
+Clc1ccc(N)c(CO)c1
+Clc1ccc(N)c(Cl)c1
+Clc1ccc(N)c(N)c1
+Clc1ccc(N)c([N+]([O-])=O)c1
+Clc1ccc(N=C=S)c(C)c1
+Clc1ccc(N=C=S)c(Cl)c1
+Clc1ccc(O)cc1I
+Clc1ccc(OC)c(-c2c(c3c(nc(nc3cc2)N)N)Cl)c1
+Clc1ccc(c(-c2[nH]c(C)cn2)c1)Cl
+Clc1ccc(c(-c2c3C(CCc3nc(O)c2)=O)c1)Br
+Clc1ccc(c(-c2cc3ccccc3[nH]2)c1)N
+Clc1ccc(c(-c2oncc2CO)c1)Cl
+Clc1ccc(c(Br)c1)-c2nc3c([nH]2)cccc3
+Clc1ccc(c(C)c1)O
+Clc1ccc(c(C)c1)[N+]([O-])=O
+Clc1ccc(c(C=Cc2ncccc2)c1)O
+Clc1ccc(c(C=O)c1)O
+Clc1ccc(c(C=O)c1)OC
+Clc1ccc(c(CBr)c1)Br
+Clc1ccc(c(CC(OCC)=O)c1)O
+Clc1ccc(c(Cc2ccc(o2)C(=O)OCC)c1)OC
+Clc1ccc(c(Cl)c1)C(=O)O
+Clc1ccc(c(Cl)c1)C(CC(C(OCC)=O)C(C)=O)=O
+Clc1ccc(c(Cl)c1)C(CCl)=O
+Clc1ccc(c(Cl)c1)C=2NC(n3c(ncc3)C=2)=O
+Clc1ccc(c(Cl)c1)CCN
+Clc1ccc(c(Cl)c1)CCl
+Clc1ccc(c(Cl)c1)CN
+Clc1ccc(c(Cl)c1)CN(C)c2c(ccc(C(=O)O)c2)[N+]([O-])=O
+Clc1ccc(c(Cl)c1)CN=C=O
+Clc1ccc(c(Cl)c1)CNC(c2c[nH]nc2OCC)=O
+Clc1ccc(c(Cl)c1)O
+Clc1ccc(c(Cl)c1)OC(C)C(=O)O
+Clc1ccc(c(Cl)c1)S
+Clc1ccc(c(Cl)c1)Sc2ncccc2C=O
+Clc1ccc(c(Cl)c1)[N+]([O-])=O
+Clc1ccc(c(Cl)c1C)O
+Clc1ccc(c(F)c1)F
+Clc1ccc(c(I)c1)CC(=O)O
+Clc1ccc(c(I)c1)O
+Clc1ccc(c(O)c1Cl)O
+Clc1ccc(c([N+]([O-])=O)c1)Br
+Clc1ccc(c([N+]([O-])=O)c1)C
+Clc1ccc(c([N+]([O-])=O)c1)F
+Clc1ccc(c([N+]([O-])=O)c1)O
+Clc1ccc(c(c1)-c2cc(O)ncc2Cl)C#N
+Clc1ccc(c(c1[N+]([O-])=O)Cl)O
+Clc1ccc(cc1C)O
+Clc1ccc(cc1F)O
+Clc1ccc(cc1N2NC(=NC2=O)CCCC)C(=O)OC
+Clc1ccc(cc1O)C(=O)OC
+Clc1ccc(cc1O)O
+Clc1ccc2CC(NCC(c3ccccc3Br)c2c1)=O
+Clc1ccc2CC(Nc2c1)=O
+Clc1ccc2CCC(N)c2c1
+Clc1ccc2CCCNc2c1
+Clc1ccc2Oc3ccccc3C4C(N)CCCN4c2c1
+Clc1ccc2c(C(C(N2CC(OCC)=O)=O)(O)c3cc4c(cc3O)OCC4)c1
+Clc1ccc2c(C(CC2)=O)c1
+Clc1ccc2c(C(c3cccnc3Cl)=O)c[nH]c2c1
+Clc1ccc2c(C=Cc3c(C2C4=CN(C)C(NC4=O)=O)nc(s3)Cl)c1
+Clc1ccc2c(C=Cc3sc(nc3C2C=4C(NC(NC=4)=O)=O)C)c1
+Clc1ccc2c(Cl)ccnc2c1
+Clc1ccc2c(NC(CC2)=O)c1
+Clc1ccc2c([nH]cc2C(=O)O)c1
+Clc1ccc2c(c([nH]c2c1)C(=O)OC)N
+Clc1ccc2c(c(cnc2c1)C(=O)N)Cl
+Clc1ccc2c(c1)C(=O)C(N2CC(OCC)=O)=O
+Clc1ccc2c(c1)NCc3c(cccc3)O2
+Clc1ccc2c(c1)cc(N)c(c2)[N+]([O-])=O
+Clc1ccc2c(cc(C(=O)O)[nH]2)c1
+Clc1ccc2c(cc(C(=O)OCC)[nH]2)c1
+Clc1ccc2c(cc(c(O)n2)C(C)N)c1
+Clc1ccc2c(cc[nH]2)c1
+Clc1ccc2c(ccc(n2)C)c1
+Clc1ccc2c(cnc(Cl)c2)c1
+Clc1ccc2c(n(-c3cn(CCC)nc3)cc2)c1
+Clc1ccc2c(nc(C=Cc3cc(ccc3)C=O)cc2)c1
+Clc1ccc2c(nc(C=Cc3cccc(CCl)c3)cc2)c1
+Clc1ccc2c(nc(C=Cc3cccc(OC(C(O)=O)C)c3)cc2)c1
+Clc1ccc2c(ncc(Cl)n2)c1
+Clc1ccc2c(nccc2O)c1
+Clc1ccc2c(nncc2c1)O
+Clc1ccc2c[nH]nc2c1
+Clc1ccc2cc(-c3cc(C=O)cnc3)[nH]c2c1
+Clc1ccc2cc(Br)ccc2c1
+Clc1ccc2cc(C)[nH]c2c1
+Clc1ccc2cc([nH]c2c1)C=O
+Clc1ccc2cc[nH]c2c1
+Clc1ccc2ccc(COc3ccc4OCc5c(cccc5)C(O)c4c3)nc2c1
+Clc1ccc2ncc([N+]([O-])=O)c(O)c2c1F
+Clc1ccc2ncccc2c1
+Clc1cccc(-c2[nH]ncc2)c1
+Clc1cccc(C#Cc2nc(C)[nH]c2)c1
+Clc1cccc(C(=NO)Cc2ncncc2)c1
+Clc1cccc(C(=O)O)c1
+Clc1cccc(C(=O)OO)c1
+Clc1cccc(C(=O)c2c(N)ccc(c2)Br)c1
+Clc1cccc(C(C)N)c1
+Clc1cccc(C(CBr)=O)c1
+Clc1cccc(C(CC=C)C=O)c1
+Clc1cccc(C(Cl)=O)c1
+Clc1cccc(C(Nc2cc(c(C)cc2)O)=O)c1
+Clc1cccc(C(O)CN)c1
+Clc1cccc(C)c1CN
+Clc1cccc(C)c1O
+Clc1cccc(C=Cc2c(ccc(OC)c2)C(=O)O)c1
+Clc1cccc(CBr)c1
+Clc1cccc(CCN)c1
+Clc1cccc(CN)c1
+Clc1cccc(CNc2nc3n(cc(cc3OC)C(=O)OCC)n2)c1
+Clc1cccc(CO)c1
+Clc1cccc(Cl)c1-c2c(nc3nc(N)ncc3c2)N
+Clc1cccc(Cl)c1-c2c(nc3nc(Nc4ccccc4)nc(N)c3c2)O
+Clc1cccc(Cl)c1-c2noc(C(C)C)c2CO
+Clc1cccc(Cl)c1-n2c(c(nn2)C(C)C)CO
+Clc1cccc(Cl)c1Br
+Clc1cccc(Cl)c1C(=O)NC(CC=C)C(O)=O
+Clc1cccc(Cl)c1C(O)=O
+Clc1cccc(Cl)c1C=NO
+Clc1cccc(Cl)c1CC(O)=O
+Clc1cccc(Cl)c1CNc2nc(ncc2)Cl
+Clc1cccc(Cl)c1CO
+Clc1cccc(Cl)c1COc2ccc3[nH]c(cc3c2)C(=O)OCC
+Clc1cccc(Cl)c1N
+Clc1cccc(Cl)c1N=C=O
+Clc1cccc(Cl)n1
+Clc1cccc(Cn2c(c([N+]([O-])=O)c3ccc(cc23)Br)C(=O)OCC)c1
+Clc1cccc(F)c1C#N
+Clc1cccc(F)c1CC(OC)=O
+Clc1cccc(N)c1
+Clc1cccc(N=C=S)c1
+Clc1cccc(S)c1
+Clc1cccc([Mg]Br)c1
+Clc1cccc(c1)-c2c(C(=O)C#C)c3n(n2)cncc3
+Clc1cccc(c1)-c2c3c(ccc(c3)Br)nc(OC)c2
+Clc1cccc(c1)-c2c3c(ccc(c3)Br)no2
+Clc1cccc(c1)-c2c[nH]cn2
+Clc1cccc(c1)-c2cc(Cl)nc3cc(C)nn23
+Clc1cccc(c1)-c2cc3c(o2)ccnc3O
+Clc1cccc(c1)-c2nc(-n3cnc4c3cc(C=O)cc4)sc2C(=O)OCC
+Clc1cccc(c1)-c2nc(N)sc2C(=O)N
+Clc1cccc(c1)-c2nn3CCNCc3c2C(=O)N
+Clc1cccc(c1)-c2nnc(O)c(C)c2
+Clc1cccc(c1)-c2onc(C(=O)C)c2
+Clc1cccc(c1)-c2onc(C3N(C(SC)=NC)CCC3)c2
+Clc1cccc(c1)Br
+Clc1cccc(c1)C#C
+Clc1cccc(c1)C#CC(=O)c2cccnc2
+Clc1cccc(c1)C(=N)N
+Clc1cccc(c1)C(=O)C
+Clc1cccc(c1)C(=O)N
+Clc1cccc(c1)C(=O)c2c(cccn2)C(=O)O
+Clc1cccc(c1)C(CC#N)=O
+Clc1cccc(c1)C(Cl)=NO
+Clc1cccc(c1)C(Nc2nc3c(o2)c(cc(c3)C(=O)OC)OC)CF
+Clc1cccc(c1)C(O)C(=O)O
+Clc1cccc(c1)C2=C(C(N(c3nc(C)ccc23)CC)=O)CCC(OCC)=O
+Clc1cccc(c1)C=C
+Clc1cccc(c1)C=O
+Clc1cccc(c1)CCl
+Clc1cccc(c1)F
+Clc1cccc(c1)I
+Clc1cccc(c1)N=C=O
+Clc1cccc(c1)S(O)=O
+Clc1ccccc1CC#N
+Clc1ccccc1CN=C=O
+Clc1cccnc1Br
+Clc1cccnc1O
+Clc1ccn2c(c1)nnc2-c3c(cccc3)Cl
+Clc1ccnc(C)c1C=O
+Clc1ccnc(C)n1
+Clc1ccnc(CO)c1C
+Clc1ccnc(NC)c1[N+](=O)[O-]
+Clc1ccnc(O)c1[N+](=O)[O-]
+Clc1ccnc(SC)n1
+Clc1ccnc2c1sc(Br)c2
+Clc1ccnc2c1sc(SC)c2
+Clc1ccnc2c1sc(c2)C=O
+Clc1ccncc1Br
+Clc1ccncc1[N+](=O)[O-]
+Clc1ccsc1C(=O)O
+Clc1cn2cc(nc2cc1)N
+Clc1cnc(-c2cc(N)cc(c2)C(=O)OC)cc1
+Clc1cnc(-n2c(c(cn2)C(=O)O)N)c(Cl)c1
+Clc1cnc(Br)c(Cl)c1
+Clc1cnc(Br)cc1Br
+Clc1cnc(C#N)c(Cl)c1
+Clc1cnc(C(=O)OCC)c(Cl)c1
+Clc1cnc(C(=O)c2ccnc3[nH]ccc23)c(N)c1
+Clc1cnc(Cl)c(N)c1
+Clc1cnc(Cl)c(c1)C(=O)O
+Clc1cnc(F)c(c1)F
+Clc1cnc(N)c(c1Cl)[N+]([O-])=O
+Clc1cnc(c(Cl)c1)Cl
+Clc1cnc(c(Cl)c1)N
+Clc1cnc(c([N+]([O-])=O)c1)Cl
+Clc1cnc(cc1)Br
+Clc1cnc(cc1)C#N
+Clc1cnc(cc1)C(=O)N
+Clc1cnc(cc1)C(=O)O
+Clc1cnc(cc1)C(=O)OC
+Clc1cnc(cc1)Cl
+Clc1cnc(cc1)N
+Clc1cnc(cc1)OC2CNCC2
+Clc1cnc(nc1-c2cnn3ccccc23)Cl
+Clc1cnc(nc1Cl)Cl
+Clc1cnc(nc1O)Cl
+Clc1cnc2n(c1)nc(c2)C(=O)O
+Clc1cncc(Cl)c1N
+Clc1cncc(Cl)c1NC(=O)c2ccc(n3nc(cc23)COC4CCCCO4)OC
+Clc1cncc(Cl)c1S
+Clc1cnn(CC(C(=O)O)CCO)c1
+Clc1cnnc(Cl)c1Cl
+Clc1cnnc(c1Cl)O
+Clc1nc(C)ccc1C#N
+Clc1nc(C)nc2n[nH]cc12
+Clc1nc(Cl)nc(Cl)n1
+Clc1nc(Cl)nc2c1CSC2
+Clc1nc(Cl)ncc1Br
+Clc1nc(Cl)ncc1C
+Clc1nc(Cl)ncc1F
+Clc1nc(Cl)ncc1[N+]([O-])=O
+Clc1nc(NC)ccc1
+Clc1nc(S)nc(c1)N
+Clc1nc([N+]([O-])=O)ccc1
+Clc1nc(ccc1)N
+Clc1nc(nc(Cl)c1)C
+Clc1nc(nc(Cl)c1)Cl
+Clc1nc(nc(Cl)c1)S(=O)(=O)C
+Clc1nc(nc(Cl)c1-c2c(cc(cc2F)F)F)Cl
+Clc1nc(nc(Cl)c1C)Cl
+Clc1nc(nc(Cl)c1C=O)SC
+Clc1nc(nc(Cl)c1CC(=O)OCC)N
+Clc1nc(nc(Cl)c1F)CC
+Clc1nc(nc(Cl)c1F)Cl
+Clc1nc(nc(Cl)c1N)N
+Clc1nc(nc(Cl)c1NC=O)NC=O
+Clc1nc(nc(Cl)c1Oc2c(cccc2)OC)C3CC3
+Clc1nc(nc(Cl)n1)C
+Clc1nc(nc(Cl)n1)NC
+Clc1nc(nc(Cl)n1)OC
+Clc1nc(nc(c1C#N)N)SC
+Clc1nc(nc2ccc(COC(C)=O)nc12)Cl
+Clc1nc(nc2ccn(C)c12)Cl
+Clc1nc(nc2n(cnc12)CC)Cl
+Clc1nc(nc2n[nH]cc12)Cl
+Clc1nc2c(cc(cc2C)F)nc1Cl
+Clc1nc2c(cc1C(=O)O)cccc2
+Clc1nc2c(nc(Cl)nc2nc1Cl)Cl
+Clc1ncc(Br)c(NC(CO)C)n1
+Clc1ncc(Br)c(SC)n1
+Clc1ncc(Br)c(n1)N2CCOCC2C(=O)O
+Clc1ncc(F)c(C(=O)C)n1
+Clc1ncc(F)c(SC)n1
+Clc1ncc([nH]1)[N+](=O)[O-]
+Clc1ncc(c(C(=O)O)c1)[N+](=O)[O-]
+Clc1ncc(c(O)n1)[N+](=O)[O-]
+Clc1ncc(c(SCC(=O)OC)n1)[N+](=O)[O-]
+Clc1ncc(c(c1Cl)SC)-c2oc(cn2)CC
+Clc1ncc2c(c(Br)cs2)n1
+Clc1ncc2c(c(C(=O)O)cs2)n1
+Clc1ncc2c(n[nH]c2)c1
+Clc1ncc2c(n[nH]c2)n1
+Clc1nccc(Br)c1
+Clc1nccc(C(=O)C)c1
+Clc1nccc(C(=O)O)c1
+Clc1nccc(C(=O)O)n1
+Clc1nccc(C)c1
+Clc1nccc(C)n1
+Clc1nccc(CCl)c1
+Clc1nccc(CCl)n1
+Clc1nccc(F)c1
+Clc1nccc(O)c1
+Clc1nccc(c1)C(=O)OC
+Clc1nccc(c1)NN
+Clc1nccc(c1)[N+](=O)[O-]
+Clc1ncccc1
+Clc1nccn2c(nc(Br)c12)Br
+Clc1ncnc(Cl)c1C=O
+Clc1ncnc(Cl)c1F
+Clc1ncnc(Cl)n1
+Clc1ncnc(c1)N
+Clc1nnc(Cl)cc1Br
+Cn1c2ccccc2nc1C=O
+Cn1cccn1
+Cn1nc2c(Br)cccc2c1
+F
+FC(F)(Br)C(OCC)=O
+FC(F)(C(=O)O)Cl
+FC(F)(C(=O)O)S(=O)(=O)F
+FC(F)(C(=O)OC)C(F)(F)OC
+FC(F)(C(=O)OCC)CNC1CCC1
+FC(F)(C(C)(C)O)CCCCCCCCCCCCCCCC
+FC(F)(C(C)(C)OC(OCC)C)CCOC(C)=O
+FC(F)(C(F)Cl)C(=O)Cl
+FC(F)(C(F)F)CO
+FC(F)(C(F)F)COc1c(Cl)cc(O)cn1
+FC(F)(C(OCC)=O)C
+FC(F)(C(OCC)=O)CN(c1c([N+](=O)[O-])cnc(Cl)n1)CCCc2ccccc2
+FC(F)(C)C(=O)NN
+FC(F)(C)C(=O)O
+FC(F)(C)C=CC(=O)OCC
+FC(F)(C)CC(C(=O)OC)N
+FC(F)(C)COc1ncc(cc1C)CN2C(=O)c3ccccc3C2=O
+FC(F)(C)c1sc2nc(cn2n1)C(OCC)=O
+FC(F)(CCC(OCC)=O)Cl
+FC(F)(CN)C(OCC)=O
+FC(F)(CO)C
+FC(F)(CO)CO
+FC(F)(Cl)C(=O)OC
+FC(F)(Cl)c1ccc(C(=O)OC)c(n1)O
+FC(F)(Cl)c1ncc(C(=O)O)cc1
+FC(F)(F)C#C
+FC(F)(F)C(=CC#N)N
+FC(F)(F)C(=CC(=O)c1sc(C(OC)=O)c2CCCCc12)c3cc(Cl)cc(Cl)c3
+FC(F)(F)C(=CC(OCC)=O)N
+FC(F)(F)C(=CC1C(C1(C)C)C(Cl)=O)Cl
+FC(F)(F)C(=O)C
+FC(F)(F)C(=O)C(Br)Br
+FC(F)(F)C(=O)C(C(=O)OCC)C
+FC(F)(F)C(=O)CBr
+FC(F)(F)C(=O)CC(=O)C
+FC(F)(F)C(=O)CC(=O)C1CC1
+FC(F)(F)C(=O)CC(=O)OCC
+FC(F)(F)C(=O)CCC1CCC(F)(F)CC1
+FC(F)(F)C(=O)N(CC1CCNCC1)C2C(c3scc(C(=O)Nc4sc(nn4)C)c3)C2
+FC(F)(F)C(=O)N1C2CCC1CC(C2)c3ccnc4n3nc(-c5ccncc5)c4I
+FC(F)(F)C(=O)N1CC(C)c2ccc(OC)cc2CC1C
+FC(F)(F)C(=O)N1CC(CCC1)c2c(N)cccc2
+FC(F)(F)C(=O)N1CCC(CC1)C(=O)Cl
+FC(F)(F)C(=O)N1CCN(C(=O)C1)c2ccc(cc2)S(=O)(=O)Cl
+FC(F)(F)C(=O)N1CCN(CC1)C(c2nccs2)=O
+FC(F)(F)C(=O)N1CCc2c(c(O)c(cc2)Cl)CC1
+FC(F)(F)C(=O)N1CCc2cc(C3=NN(C(C=C3)=O)c4ccc(cc4)S(=O)(=O)C)ccc2CC1
+FC(F)(F)C(=O)N1CCc2cc(ccc2C(C)C1)OC
+FC(F)(F)C(=O)N1CCc2ccc(CC(=O)OC)cc2C1
+FC(F)(F)C(=O)N1CCc2ccccc2CC1
+FC(F)(F)C(=O)NC1CCCNCC1
+FC(F)(F)C(=O)NC1Cc2c(OC1)c(ccc2OC)S(=O)(=O)Cl
+FC(F)(F)C(=O)NC1c2cc(F)ccc2C(O)CC1
+FC(F)(F)C(=O)NCC1CCC(CC1)NC(=O)OC(C)(C)C
+FC(F)(F)C(=O)NCC1CCCNC1
+FC(F)(F)C(=O)NCCc1nc(-c2ccc(cc2)Br)oc1
+FC(F)(F)C(=O)NCc1ccc(c(C2=NC(=O)N(N2)c3c(F)cc(I)cc3)c1)Cl
+FC(F)(F)C(=O)NCc1ccc(c(C2CCNCC2)c1)F
+FC(F)(F)C(=O)Nc1c(F)ccc(c1)NC
+FC(F)(F)C(=O)Nc1c(c(c(c(c1OC)F)I)C)C#N
+FC(F)(F)C(=O)Nc1c2c(ccc1)CCO2
+FC(F)(F)C(=O)Nc1cc(CC(N2CCCC2)=O)nn1CC
+FC(F)(F)C(=O)Nc1cn2ccncc2n1
+FC(F)(F)C(=O)Nc1cn2nc(ccc2n1)Cl
+FC(F)(F)C(=O)OC(C(F)(F)F)=O
+FC(F)(F)C(=O)OCC
+FC(F)(F)C(=O)Oc1cccc(I)c1OC(C(F)(F)F)=O
+FC(F)(F)C(=O)c1cc(Cl)c(c(Cl)c1)F
+FC(F)(F)C(=S)N
+FC(F)(F)C(Br)=C
+FC(F)(F)C(C(=O)OCC)(CC(=CCC)c1c(c(ccc1)F)OC)O
+FC(F)(F)C(C(Br)C)=O
+FC(F)(F)C(C(Cl)C(OCC)=O)=O
+FC(F)(F)C(C(NC(=O)OCc1ccccc1)C(=O)O)C
+FC(F)(F)C(C(OCC)=O)(O)CC
+FC(F)(F)C(C)(C(O)=O)O
+FC(F)(F)C(C)(C)C(=O)O
+FC(F)(F)C(C)(C)N
+FC(F)(F)C(C)(C)c1c(ccc(Cl)c1)OC
+FC(F)(F)C(C)(C)c1ccc(cc1)C(N)=NO
+FC(F)(F)C(C)(c1ccc(cc1)Br)O
+FC(F)(F)C(C)=C
+FC(F)(F)C(C)Oc1c(cnc(C(O)=O)c1)C2CCC2
+FC(F)(F)C(C1=CC(=O)C(OCc2ccccc2)=CN1C)O
+FC(F)(F)C(C1C(=O)CCCC1=O)=O
+FC(F)(F)C(C1CC1)N2C(C(C#N)=C(OC)C=C2)=O
+FC(F)(F)C(C1CCC(CC1)NCc2ccccc2)O
+FC(F)(F)C(C=Cc1cc(C(F)(F)F)c(cc1)CN)c2cc(Cl)c(c(c2)Cl)Cl
+FC(F)(F)C(CC#N)=O
+FC(F)(F)C(CC(=C)C)(C(=O)OCC)O
+FC(F)(F)C(CC(C)(C)c1c(OC)ccc(F)c1)(CO)O
+FC(F)(F)C(CC(C)(C)c1cc(F)ccc1OC)(O)CN
+FC(F)(F)C(CC(c1ccc(cc1)Br)=O)=O
+FC(F)(F)C(CC=CCCCCC)(F)C(=O)O
+FC(F)(F)C(CCO)C
+FC(F)(F)C(CN)(CN)O
+FC(F)(F)C(CN1C(c2ccc(cc2)Cl)=NNC1=O)O
+FC(F)(F)C(COC(=O)CCC)(CNCc1ccccc1)O
+FC(F)(F)C(Cl)=CC1C(C)(C)C1C(O)=O
+FC(F)(F)C(F)(F)C(F)(F)c1c(c(n[nH]1)C)[N+](=O)[O-]
+FC(F)(F)C(F)(F)C(Nc1ccccc1[N+]([O-])=O)=O
+FC(F)(F)C(F)(F)C(O)=O
+FC(F)(F)C(F)(F)CCC=CCCCCl
+FC(F)(F)C(F)(F)CCCCCO
+FC(F)(F)C(F)(F)CCCCOS(=O)(=O)C
+FC(F)(F)C(F)(F)CCN
+FC(F)(F)C(F)(F)CN
+FC(F)(F)C(F)(F)I
+FC(F)(F)C(N(C1CCc2c1cccc2Br)c3cc4OCC(CC(OC)=O)c4cc3)=O
+FC(F)(F)C(N(c1ccc(CCC(OCC)=O)c(F)c1)Cc2c(C)c3c(cc2)CCCN3CCO)=O
+FC(F)(F)C(N)=O
+FC(F)(F)C(N)C
+FC(F)(F)C(N1CC2(CCNCC2)OCC1)=O
+FC(F)(F)C(N1CC2c3c(C(C1)C2)cc(c([N+](=O)[O-])c3)[N+](=O)[O-])=O
+FC(F)(F)C(N1CCC(CC1)C(c2ccc(cc2)Br)=O)=O
+FC(F)(F)C(N1CCC(CC1)N(Cc2cc3OCCOc3cc2)C(=O)OC(C)(C)C)=O
+FC(F)(F)C(N1CCc2ccc(cc2CC1)OC)=O
+FC(F)(F)C(N=S(=O)(Cc1cccc([N+](=O)[O-])c1)C)=O
+FC(F)(F)C(NC(C(=O)Cl)C)=O
+FC(F)(F)C(NC(CCC)CO)c1ccc(cc1)Br
+FC(F)(F)C(NC(Cc1ccccc1)C)=O
+FC(F)(F)C(NCC#C)=O
+FC(F)(F)C(NCC1(CCN(CC1)C(OC(C)(C)C)=O)c2ccc(cc2)I)=O
+FC(F)(F)C(NCC=C)=O
+FC(F)(F)C(NCCCCOS(=O)(=O)C)=O
+FC(F)(F)C(NCCN)=O
+FC(F)(F)C(NCO)=O
+FC(F)(F)C(NCc1ccc(c(C(=O)N)c1)Cl)=O
+FC(F)(F)C(Nc1c(C(=O)OC)sc(c1)C(C2CCOCC2)=O)=O
+FC(F)(F)C(Nc1cc(ccc1)[N+]([O-])=O)C(OC)=O
+FC(F)(F)C(Nc1ccc(N)cc1Cl)=O
+FC(F)(F)C(Nc1ccc(cc1)CCCC(=O)N(C)C)=O
+FC(F)(F)C(Nc1ccc(cc1)I)=O
+FC(F)(F)C(Nc1n[nH]c(CC(Nc2cccc(F)c2)=O)c1)=O
+FC(F)(F)C(Nc1ncc(c2c1c3ccc(I)cc3[nH]2)C(=O)N)C4CC4
+FC(F)(F)C(O)(C(OCC)=O)CC(C)(C)c1ccc(c(F)c1OC)Cl
+FC(F)(F)C(O)(CC1(CCOc2ccc(S(=O)(=O)C)cc12)C)CC#C
+FC(F)(F)C(O)(Cc1c(cccc1)OC)C#N
+FC(F)(F)C(O)(c1cc2cnn(c2cc1)-c3ccc(cc3)F)c4c5ncnc(c5n(c4)CC=C)Cl
+FC(F)(F)C(O)(c1ccc(cc1)OCc2ccccc2)C
+FC(F)(F)C(O)=O
+FC(F)(F)C(O)C
+FC(F)(F)C(O)c1c(cc(cc1)Cl)-n2ccc(C)n2
+FC(F)(F)C(O)c1ccccc1[N+]([O-])=O
+FC(F)(F)C(OC)(OC)CCc1ccc(cc1)O
+FC(F)(F)C(c1cc(C#N)ncc1)O
+FC(F)(F)C(c1cc(Cl)c(Cl)c(c1Cl)Cl)=C
+FC(F)(F)C(c1cc(Cl)c(c(Cl)c1)Cl)Br
+FC(F)(F)C(c1cc(Cl)c(c(c1)Cl)F)=C
+FC(F)(F)C(c1cc(Cl)cc(c1)Cl)=C
+FC(F)(F)C(c1cc(Cl)cc(c1)Cl)=O
+FC(F)(F)C(c1ccc(cc1)Br)O
+FC(F)(F)C(c1ccccc1)=O
+FC(F)(F)C(c1ccccc1I)O
+FC(F)(F)C(c1cnc(nc1)Cl)(C)O
+FC(F)(F)C(n1c(COC2OCCCC2)nc3cnc(cc13)Cl)C
+FC(F)(F)C1(CC(c2ccc(cc2)CN3C(c4ccccc4C3=O)=O)=NO1)c5cc(Cl)cc(Cl)c5
+FC(F)(F)C1(CC1)C(=O)NCc2ccc(c(N=C=S)c2)Cl
+FC(F)(F)C1(CC1)C(=O)O
+FC(F)(F)C1(CC1)COS(=O)(=O)C
+FC(F)(F)C1(CCC(CC1)C(O)=O)O
+FC(F)(F)C1(CCC2(CC1)C(=O)NC(=O)N2)OC
+FC(F)(F)C1(CCN(C1)Cc2ccccc2)c3cc(Cl)cc(c3)Cl
+FC(F)(F)C1(CCNCC1)O
+FC(F)(F)C1(CO1)CNc2c3cnn(-c4ccc(cc4)F)c3cc(C)c2
+FC(F)(F)C1(C[N+]([O-])=O)NC(N(c2ccc(cc12)Br)Cc3ccc(cc3)OC)=O
+FC(F)(F)C1(N=N1)c2ccc(cc2)CN
+FC(F)(F)C1(OC1)CC(C)(C)c2ccccc2C
+FC(F)(F)C1(OC1)CNC(c2cnn(-c3ccc(cc3)F)c2N)=O
+FC(F)(F)C1(c2c(cccc2)-c3c1cc(OCC(O)C)cc3Cl)O
+FC(F)(F)C1(c2cc(Cl)c(c(c2)Cl)Cl)CCNC1
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(=NO1)c3ccc(C(O)=O)c(c3)C
+FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)Oc3c(cc([N+]([O-])=O)cc3)C1
+FC(F)(F)C1=CC(=O)N(c2c(OCC#C)cc(cc2F)Cl)C(=O)N1C
+FC(F)(F)C1=CC(=O)N(c2ccc(cc2F)Br)c3nccn13
+FC(F)(F)C1C(C(N)(c2c(cccc2)F)CO1)CO
+FC(F)(F)C1CC(O)(CN)CCC1
+FC(F)(F)C1CCC(CC1)C(O)=O
+FC(F)(F)C1CCC(CC1)CO
+FC(F)(F)C1CCC(CC1)N
+FC(F)(F)C1CCC(CC1)NC(c2c(OCCF)nc(Cl)cc2)=O
+FC(F)(F)C1CCC(CC1)O
+FC(F)(F)C1CCCNC1
+FC(F)(F)C1CCN(c2ccccc12)C(C)C(=O)OCC
+FC(F)(F)C1CCNCC1
+FC(F)(F)C1CO1
+FC(F)(F)C1Oc2c(cc(C)cc2C=O)C=C1C(OCC)=O
+FC(F)(F)C1Oc2c(cc(cc2)C=O)C=C1C(OCC)=O
+FC(F)(F)C1c2c(Cl)ncnc2NC(=O)C1
+FC(F)(F)C=1C=C(N(c2cc(ccc2Cl)C(=O)OCC)C(N=1)=O)C
+FC(F)(F)C=1N(C(=O)N(C(C=1)=O)c2cc3c(-c4sccc4C)nsc3cc2)C
+FC(F)(F)C=1N(C(=O)N(C(C=1)=O)c2cc3c(CSC)nsc3cc2)C
+FC(F)(F)C=1N(C(=O)N(c2cc(c(cc2F)[N+]([O-])=O)F)C(=O)C=1)C
+FC(F)(F)C=1N(C)C(N(C(=O)C=1)c2cc(C(=O)OCC)c(Cl)cc2F)=O
+FC(F)(F)C=1N(C)C(N(c2c(cc(cc2F)Cl)F)C(=O)C=1)=O
+FC(F)(F)C=1N(C)NC(=O)C=1
+FC(F)(F)C=1N=C(N(C)C)OC(=O)C=1
+FC(F)(F)C=1NC(=O)N(C(C=1)=O)c2c(c(c(Cl)cc2F)C)[N+](=O)[O-]
+FC(F)(F)C=1NC(N(c2c(F)cc(c(c2)OC)Cl)C(C=1)=O)=O
+FC(F)(F)C=1NC(N(c2c(cc(c(c2)OCC=C)Br)F)C(C=1)=O)=O
+FC(F)(F)C=1n2c(NC(=O)C=1)c(C(=O)OC)cn2
+FC(F)(F)C=Cc1ccc(C(O)=O)c(C)c1
+FC(F)(F)CC(=O)OCC
+FC(F)(F)CC(C(=O)O)C
+FC(F)(F)CC(C)(C)CC#N
+FC(F)(F)CC(C)C(N=[N+]=[N-])C(=O)O
+FC(F)(F)CC(C)CN
+FC(F)(F)CC(N)C(=O)N
+FC(F)(F)CC(Nc1ccc(cc1)S)=O
+FC(F)(F)CC(O)=O
+FC(F)(F)CC=O
+FC(F)(F)CCBr
+FC(F)(F)CCC(=O)CC#N
+FC(F)(F)CCC(=O)O
+FC(F)(F)CCC(C#N)C#N
+FC(F)(F)CCC(N)C(N)=O
+FC(F)(F)CCC(N1C(COC1=O)Cc2ccccc2)=O
+FC(F)(F)CCC(NCC(Oc1ccccc1Cl)=CC(=O)OCC)C(=O)OC
+FC(F)(F)CCC=O
+FC(F)(F)CCCBr
+FC(F)(F)CCCCCCCCCCCCCCCBr
+FC(F)(F)CCCI
+FC(F)(F)CCCN
+FC(F)(F)CCCO
+FC(F)(F)CCCS(=O)(=O)Cl
+FC(F)(F)CCI
+FC(F)(F)CCN
+FC(F)(F)CCN1CCN(CC1)c2cc(Cl)ccc2N
+FC(F)(F)CCO
+FC(F)(F)CCS(=O)(=O)CCCCl
+FC(F)(F)CCSCCC(O)=O
+FC(F)(F)CCc1c(ccc(C(=O)C)c1O)OCCCOc2cc(ccc2)[N+]([O-])=O
+FC(F)(F)CI
+FC(F)(F)CN
+FC(F)(F)CN1C=C(C(=O)O)C(=O)C(c2ccc(cc2)F)=C1
+FC(F)(F)CN1CCC(CC1)=O
+FC(F)(F)CN1CCN(C(=O)OCc2ccccc2)CC(NC(OC(C)(C)C)=O)C1=O
+FC(F)(F)CN=C=S
+FC(F)(F)CNC(CN)=O
+FC(F)(F)CNC(Nc1nn(CCCCC#N)cn1)=S
+FC(F)(F)CNCC
+FC(F)(F)CO
+FC(F)(F)COC=O
+FC(F)(F)COCCOCCOCCOCCOCCOCCO
+FC(F)(F)COCc1nc(nc(C(=O)OCC)c1)Cl
+FC(F)(F)COP(OCC(F)(F)F)(CC(OC)=O)=O
+FC(F)(F)COS(=O)(=O)C(Cl)(Cl)Cl
+FC(F)(F)COS(=O)(=O)c1ccc(cc1)C
+FC(F)(F)COc1c(C)c(CCl)ncc1
+FC(F)(F)COc1c(C)cc(cn1)C(C)N
+FC(F)(F)COc1c(Cl)cnc(c1)C(O)=O
+FC(F)(F)COc1c(F)ccc(C)c1
+FC(F)(F)COc1c([N+]([O-])=O)ccc(CC(O)=O)c1
+FC(F)(F)COc1c(ccc(CC(OCC)=O)c1)[N+]([O-])=O
+FC(F)(F)COc1c(cccc1C)Cl
+FC(F)(F)COc1cc(C(=O)OC)ccc1Cl
+FC(F)(F)COc1cc([N+](=O)[O-])c(cc1OC)C(OCC)=O
+FC(F)(F)COc1cc([nH]n1)N2C(=O)c3ccccc3C2=O
+FC(F)(F)COc1cc(ccc1Br)C(=O)OC
+FC(F)(F)COc1cc(ccc1CC(OC)=O)OCc2ccccc2
+FC(F)(F)COc1ccc(OCc2ccccc2)cc1C(=O)Cl
+FC(F)(F)COc1ccc(cc1)Br
+FC(F)(F)COc1cccc(n1)C(O)=O
+FC(F)(F)COc1ccnc(c1C)CSc2nc3ccccc3[nH]2
+FC(F)(F)COc1cnc(cc1)C(C)N
+FC(F)(F)COc1ncc(cc1Br)C(=O)OC
+FC(F)(F)CSCC(O)=O
+FC(F)(F)CSc1cc(N)ccc1C
+FC(F)(F)Cc1cc(c(s1)N)C(=O)N
+FC(F)(F)Cc1ccc(cc1)Br
+FC(F)(F)Cc1ccc(cc1)N
+FC(F)(F)Cc1cccc(c1OC)C
+FC(F)(F)Cc1cn(CCO)c(C2CCNCC2)n1
+FC(F)(F)Cc1nnc2n1CC(c3c(F)c(ccc3)F)CCC2NC(OC(C)(C)C)=O
+FC(F)(F)Cn1c(ncn1)-c2sc3CCOc4c(ccc(c4)Br)-c3n2
+FC(F)(F)OCCOS(=O)(=O)C(F)(F)F
+FC(F)(F)Oc1c(B(O)O)cccc1
+FC(F)(F)Oc1c(Br)cccc1
+FC(F)(F)Oc1c(F)cc(Br)cc1
+FC(F)(F)Oc1c(F)cc(cc1)C(c2ncccc2F)N
+FC(F)(F)Oc1c(NC(=O)CCl)cc([N+](=O)[O-])cc1
+FC(F)(F)Oc1c(O)ccc(c1)C(OC)=O
+FC(F)(F)Oc1c(OC)c(cc(C(=O)O)c1)C=O
+FC(F)(F)Oc1c(cc(cc1)S(=O)(=O)N)[N+](=O)[O-]
+FC(F)(F)Oc1cc(Br)ccc1C2C(C(=O)OCCC#N)=C(C)Nc3ccnc(OCC)c23
+FC(F)(F)Oc1cc(C#N)cc(c1)C(=O)Cl
+FC(F)(F)Oc1cc(C(=O)O)cc(Cl)c1
+FC(F)(F)Oc1cc(C(=O)O)ccc1
+FC(F)(F)Oc1cc(C(CC(C(OCC)=O)=O)=O)cc(Br)c1
+FC(F)(F)Oc1cc(N2CCN(C(CC2)=O)C(CC=O)C(OC)=O)ccc1
+FC(F)(F)Oc1cc(c(cc1)OC2=CC(=O)N(C(C(O)=O)CC3CCCCC3)N=C2)Cl
+FC(F)(F)Oc1cc(ccc1)C(=O)C
+FC(F)(F)Oc1cc(ccc1)Oc2c(C)cc(cc2)N
+FC(F)(F)Oc1cc(ccc1)Oc2n(c3C(=O)NC(N(c3n2)C)=O)Cc4ccc(cc4)Cl
+FC(F)(F)Oc1cc(ccc1)S
+FC(F)(F)Oc1cc(ccc1)S(=O)(=O)Cl
+FC(F)(F)Oc1cc(ccc1S(=O)(=O)Cl)Br
+FC(F)(F)Oc1cc2cc(C(=O)OCC)[nH]c2c([N+](=O)[O-])c1
+FC(F)(F)Oc1ccc(C(COC)N)cc1F
+FC(F)(F)Oc1ccc(C(O)=O)cc1N
+FC(F)(F)Oc1ccc(C=CC(O)=O)c(Cn2nnc(C)n2)c1
+FC(F)(F)Oc1ccc(F)c(c1)CC(=O)O
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C)n2)C(OCC)=O
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(C3CCCCC3)n2)Cc4ccc(cc4)C#N
+FC(F)(F)Oc1ccc(cc1)-c2cc(n(n2)C)CCC(OCC)=O
+FC(F)(F)Oc1ccc(cc1)-n2nc(nc2)-c3ccc(cc3)CCCN4C(=O)c5ccccc5C4=O
+FC(F)(F)Oc1ccc(cc1)-n2ncc3c4c(ccc23)cc(Br)cc4
+FC(F)(F)Oc1ccc(cc1)B(O)O
+FC(F)(F)Oc1ccc(cc1)Br
+FC(F)(F)Oc1ccc(cc1)C(COC)O
+FC(F)(F)Oc1ccc(cc1)C(Cl)=O
+FC(F)(F)Oc1ccc(cc1)C(N)=O
+FC(F)(F)Oc1ccc(cc1)C(c2c(ccc(Br)c2)Cl)=O
+FC(F)(F)Oc1ccc(cc1)C2(CC2)N3CCC(CC3)O
+FC(F)(F)Oc1ccc(cc1)C=Cc2occ(n2)CCl
+FC(F)(F)Oc1ccc(cc1)C=O
+FC(F)(F)Oc1ccc(cc1)CBr
+FC(F)(F)Oc1ccc(cc1)CC(=O)N2CC(CC2)N
+FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(C2)Oc3cc(C(=O)OC)cnc3N)=O
+FC(F)(F)Oc1ccc(cc1)CC(O)=O
+FC(F)(F)Oc1ccc(cc1)CCN
+FC(F)(F)Oc1ccc(cc1)CN
+FC(F)(F)Oc1ccc(cc1)CNCCCO
+FC(F)(F)Oc1ccc(cc1)CO
+FC(F)(F)Oc1ccc(cc1)C[Zn+]
+FC(F)(F)Oc1ccc(cc1)I
+FC(F)(F)Oc1ccc(cc1)N
+FC(F)(F)Oc1ccc(cc1)N2C(=O)NC(C)(C)C2=O
+FC(F)(F)Oc1ccc(cc1)N=C=O
+FC(F)(F)Oc1ccc(cc1)NC(CC)C(OC)=O
+FC(F)(F)Oc1ccc(cc1)NCC(C)NC(OCc2ccccc2)=O
+FC(F)(F)Oc1ccc(cc1)NN
+FC(F)(F)Oc1ccc(cc1)Nc2nc(Cl)nc(Cl)n2
+FC(F)(F)Oc1ccc(cc1)O
+FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Cl
+FC(F)(F)Oc1ccc(cc1B(O)O)Cl
+FC(F)(F)Oc1ccc(cc1CN)COC
+FC(F)(F)Oc1ccc2c(cccn2)c1
+FC(F)(F)Oc1ccc2nc(Nc3nc4c(n3C)ccc(C(OC)=O)c4)sc2c1
+FC(F)(F)Oc1cccc(B(O)O)c1
+FC(F)(F)Oc1cccc(CBr)c1
+FC(F)(F)Oc1cccc(CC(O)=O)c1
+FC(F)(F)Oc1cccc(c1)I
+FC(F)(F)Oc1ccccc1C#N
+FC(F)(F)Oc1ccccc1C(=O)CC(C(OC)=O)C(C)=O
+FC(F)(F)Oc1ccccc1C(=O)Cl
+FC(F)(F)Oc1ccccc1C=O
+FC(F)(F)Oc1ccccc1CBr
+FC(F)(F)Oc1ccccc1S
+FC(F)(F)Oc1cnc(cc1)Br
+FC(F)(F)S(=O)(=O)Cl
+FC(F)(F)S(=O)(=O)N(S(=O)(=O)C(F)(F)F)c1ccccc1
+FC(F)(F)S(=O)(=O)Nc1ccccc1
+FC(F)(F)S(=O)(=O)OC
+FC(F)(F)S(=O)(=O)OC1=C(C(=O)OC)N(CC(C)C)C(=O)c2ccc(cc12)OCc3ccccc3
+FC(F)(F)S(=O)(=O)OC1=C(CCC1)C(=O)OCC
+FC(F)(F)S(=O)(=O)OC1=C(CN(CC1)C(=O)OC(C)(C)C)C(OC)=O
+FC(F)(F)S(=O)(=O)OC1=CC(C)(C)C(C)(C)C1
+FC(F)(F)S(=O)(=O)OC1=CC2CCC(N2C(=O)OC(C)(C)C)C1
+FC(F)(F)S(=O)(=O)OC1=CCC2(CCCC2)CC1
+FC(F)(F)S(=O)(=O)OC1=CCC2(OCCO2)CC1
+FC(F)(F)S(=O)(=O)OC1=CCCC1
+FC(F)(F)S(=O)(=O)OC1=NN(C(C)C)C(C=C1)=O
+FC(F)(F)S(=O)(=O)OC=1CCCC=1C(=O)OC
+FC(F)(F)S(=O)(=O)OC=1c2ccc(cc2OC(C=1)=O)C
+FC(F)(F)S(=O)(=O)OCC(CF)C
+FC(F)(F)S(=O)(=O)OCC(F)(F)F
+FC(F)(F)S(=O)(=O)OCC(F)(F)c1ccc(C(F)F)cn1
+FC(F)(F)S(=O)(=O)OCC(F)F
+FC(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)F
+FC(F)(F)S(=O)(=O)O[Si](C)(C)C(C)(C)C
+FC(F)(F)S(=O)(=O)Oc1c(C(OC)=O)cc(Cc2c(c(c(OC)c(OC)c2OC)OC)C)cc1
+FC(F)(F)S(=O)(=O)Oc1c(C)c(cc2c1cc(Cl)cc2)CC(=O)OC
+FC(F)(F)S(=O)(=O)Oc1c(C23CC4CC(CC(C4)C2)C3)cc5cc(-c6ccc(cc6)C(OC)=O)ccc5c1
+FC(F)(F)S(=O)(=O)Oc1c(C=O)ccc(F)c1OCCCOCc2ccccc2
+FC(F)(F)S(=O)(=O)Oc1c(CC(C)C)cc(-c2ccc(CCC#N)cc2CC(C)C)cc1
+FC(F)(F)S(=O)(=O)Oc1c(Cl)c2cc(C(F)F)n(c2cc1)S(=O)(=O)c3ccccc3
+FC(F)(F)S(=O)(=O)Oc1c(cc(C#N)cc1[N+](=O)[O-])C
+FC(F)(F)S(=O)(=O)Oc1c(cc(C)cc1)[N+](=O)[O-]
+FC(F)(F)S(=O)(=O)Oc1c(cc(c(C)c1[N+]([O-])=O)Cl)C(=O)C
+FC(F)(F)S(=O)(=O)Oc1c(nc(C(=O)OC)cc1)-c2cc(OCc3ccccc3)c(cc2)Cl
+FC(F)(F)S(=O)(=O)Oc1c2OC(COS(=O)(=O)c3ccc(cc3)C)CCc2ccc1
+FC(F)(F)S(=O)(=O)Oc1c2c(ccc1Cl)CCN(CC2)C(=O)C(F)(F)F
+FC(F)(F)S(=O)(=O)Oc1c2c(ccnc2Cl)oc1C(=O)OCC
+FC(F)(F)S(=O)(=O)Oc1c2nc(CCC(OC)=O)ccc2ccc1
+FC(F)(F)S(=O)(=O)Oc1c2ncccc2c(Cl)cc1C(=O)N(OC)C
+FC(F)(F)S(=O)(=O)Oc1cc(C)c(c(C)c1)Cc2ccc(c(c2)C(C)C)OCOC
+FC(F)(F)S(=O)(=O)Oc1cc(C)c(c(c1)C)-c2c(cncc2C)C
+FC(F)(F)S(=O)(=O)Oc1cc(C2CCN(CC2)CCC)ccc1
+FC(F)(F)S(=O)(=O)Oc1cc(F)c(c(c1)F)C(C)(C)C(F)(F)F
+FC(F)(F)S(=O)(=O)Oc1cc(c(CCC)cc1F)OC
+FC(F)(F)S(=O)(=O)Oc1cc(c2c(n(nc2)C(C)C)n1)C(=O)OCC
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1)-c2c(scc2)C#N
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1)CC2C(c3nc(c(-c4ccccc4)o3)-c5ccccc5)=CCC2
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1-c2c(F)ccc(OC)c2)OC(OC(C)(C)C)=O
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1C(OC)=O)OC
+FC(F)(F)S(=O)(=O)Oc1cc(ccc1C)C(C)C
+FC(F)(F)S(=O)(=O)Oc1cc(nn1CC)-c2cnccc2
+FC(F)(F)S(=O)(=O)Oc1cc2c(-c3ccc4c(ccc(OC)c4)c3C(O2)c5ccc(cc5)OCCN6CCCCC6)cc1
+FC(F)(F)S(=O)(=O)Oc1cc2c(c(CC(=O)OCC)c1)CCCC2
+FC(F)(F)S(=O)(=O)Oc1cc2c(c(Cl)ccc2cc1)CC(=O)OCC
+FC(F)(F)S(=O)(=O)Oc1cc2c(cc1)ccc(OC)c2
+FC(F)(F)S(=O)(=O)Oc1cc2ccc(c(CC(OCC)=O)c2cc1)Cl
+FC(F)(F)S(=O)(=O)Oc1ccc(C(CC)(CC)c2ccc(c(C)c2)C(=O)OC)cc1C
+FC(F)(F)S(=O)(=O)Oc1ccc(C=O)cc1Cl
+FC(F)(F)S(=O)(=O)Oc1ccc(CCC#N)cc1CC(C)C
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2ccc(cc2)C3(CC3)C(OC)=O
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)-c2ccc(cc2)C3(CC3)C(OCC)=O
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)C(C)(C)C
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)C(CC)(CC)c2cc(C)c(C=CC(CC)(CC)O)cc2
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)C2(CCN(CC2)Cc3ccccc3)c4cc(OC)ccc4
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1)CC(OCC)C(OCC)=O
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1F)C2CCC(CC2)CC(=O)OC
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1OC)CC(OCC)=O
+FC(F)(F)S(=O)(=O)Oc1ccc(cc1OCCCC)C=C(C(OC)=O)OC
+FC(F)(F)S(=O)(=O)Oc1ccc2C(CC(OC)=O)CCc2c1C
+FC(F)(F)S(=O)(=O)Oc1ccc2N(C(=O)C(C)(C)C(=O)N(c2c1)C)CC
+FC(F)(F)S(=O)(=O)Oc1ccc2c(c(C(NC)=O)c(-c3ccc(cc3)F)o2)c1
+FC(F)(F)S(=O)(=O)Oc1ccc2c(ccc(OS(=O)(=O)C)c2)c1C(=O)c3ccc(cc3)OCCN4CCCCC4
+FC(F)(F)S(=O)(=O)Oc1cccc(C)c1[N+]([O-])=O
+FC(F)(F)S(=O)(=O)Oc1n(C)nc(C)c1C
+FC(F)(F)S(=O)(=O)Oc1nc2c(-c3cc4c(o3)cccc4)ccnc2cc1
+FC(F)(F)S(=O)(=O)Oc1nc2c(cc1)nccc2-c3ccncc3
+FC(F)(F)S(=O)(=O)Oc1nn(C(C)(C)C)c2ccnc(c12)OC
+FC(F)(F)S(=O)(=O)c1ccc(cc1)N
+FC(F)(F)S(=O)c1ccc(cc1)O
+FC(F)(F)Sc1c(N)cccc1
+FC(F)(F)Sc1ccc(Cl)nc1
+FC(F)(F)Sc1ccc(cc1)N
+FC(F)(F)Sc1ccc(cc1)N2C(=O)C(C)(C)N(Cc3ccnc(S(=O)(=O)C)n3)C2=O
+FC(F)(F)Sc1ccc(cc1)N2C(N(Cc3ccnc(c3)Cl)C(C)(C)C2=O)=O
+FC(F)(F)[Si](C)(C)C
+FC(F)(F)c1[n+]([O-])c(C)cc(CC)c1
+FC(F)(F)c1[n+]([O-])c(c(CN2N=C3N(C=CC(c4ccc(cc4)Cl)=C3c5ccncc5)C2=O)cc1)C
+FC(F)(F)c1[nH]c(nc1)-c2c(Cl)cc(cn2)Br
+FC(F)(F)c1[nH]c2c(c1)cc(C#N)cn2
+FC(F)(F)c1[nH]c2cc(ccc2c1C(=O)OCC)OC
+FC(F)(F)c1[nH]c2ccc(C#N)cc2c1
+FC(F)(F)c1[nH]c2ccc(cc2n1)N
+FC(F)(F)c1[nH]nc(c1)C(OCC)=O
+FC(F)(F)c1[nH]ncc1
+FC(F)(F)c1[nH]ncc1C(OCC)=O
+FC(F)(F)c1c(-c2ccc(cc2)Br)nccc1
+FC(F)(F)c1c(-c2cnc(c(C(=O)OC)n2)N)nccc1OC
+FC(F)(F)c1c(-n2cnc(C)c2)ccc([N+]([O-])=O)c1
+FC(F)(F)c1c(Br)ccc(N)c1
+FC(F)(F)c1c(Br)ccc([N+](=O)[O-])c1
+FC(F)(F)c1c(C#N)c(ccc1)F
+FC(F)(F)c1c(C#N)cc(cc1)F
+FC(F)(F)c1c(C#N)ccc(c1)N
+FC(F)(F)c1c(C#N)ccc2n(C(C)C(=O)OC)c(cc12)C
+FC(F)(F)c1c(C(=O)Cl)cccc1
+FC(F)(F)c1c(C(=O)O)ccc(N)c1
+FC(F)(F)c1c(C(=O)O)nc(o1)-c2c(Cl)cccc2Cl
+FC(F)(F)c1c(C(=O)OC)c(ccn1)N=[N+]=[N-]
+FC(F)(F)c1c(C(C)=O)cnc(Cl)n1
+FC(F)(F)c1c(C(NC(CNC(=O)OC(C)(C)C)C(OC)=O)=O)cn(C)n1
+FC(F)(F)c1c(C(O)=O)oc(-c2ccccc2)n1
+FC(F)(F)c1c(C)c(-c2ccc(cc2)OC)nc3n1ncc3C(=O)O
+FC(F)(F)c1c(C)c([N+](=O)[O-])ccc1
+FC(F)(F)c1c(C)ccc(c1)N
+FC(F)(F)c1c(C)nc(cc1)Oc2cc(ccc2)CO
+FC(F)(F)c1c(C=O)ccc(F)c1
+FC(F)(F)c1c(CBr)cccc1
+FC(F)(F)c1c(CCC(OCC)=O)c2c(c(Br)ccc2)[nH]1
+FC(F)(F)c1c(CCOS(=O)(=O)C)cccc1
+FC(F)(F)c1c(CO)cnc(n1)Nc2cccc(Cl)c2
+FC(F)(F)c1c(Cl)c(Cl)ncn1
+FC(F)(F)c1c(Cl)cc(C(O)=O)cc1
+FC(F)(F)c1c(Cl)cc2n(c(nc2c1)C)CC
+FC(F)(F)c1c(Cl)ccc(O)c1
+FC(F)(F)c1c(Cl)ccc(c1)C(=O)O
+FC(F)(F)c1c(Cl)ccc(c1)N
+FC(F)(F)c1c(Cl)cccc1C
+FC(F)(F)c1c(Cl)ccnc1Cl
+FC(F)(F)c1c(Cl)nc(Cl)nc1
+FC(F)(F)c1c(Cl)nc(Nc2ccc(cc2)C3CCN(CC3)C(=O)OC(C)(C)C)nc1
+FC(F)(F)c1c(Cl)nccc1
+FC(F)(F)c1c(F)c(F)c(-c2nc(c(s2)CCl)C)cc1
+FC(F)(F)c1c(F)c(F)c(c(F)c1F)-n2ncc(C(OCC)=O)c2N
+FC(F)(F)c1c(F)c(O)ccc1
+FC(F)(F)c1c(F)c(ccc1)C(=O)O
+FC(F)(F)c1c(F)cc(CC(O)=O)cc1
+FC(F)(F)c1c(F)cc(cc1)C(=O)O
+FC(F)(F)c1c(F)cc(cc1)C=O
+FC(F)(F)c1c(N)c(Cl)nc(C)c1
+FC(F)(F)c1c(N)ccc(C#N)c1
+FC(F)(F)c1c(N=C=S)cccc1
+FC(F)(F)c1c(NC(=O)OC(C)(C)C)cnc(n1)Nc2cccc(Cl)c2
+FC(F)(F)c1c(NC2CC2)nc(nc1)Cl
+FC(F)(F)c1c(NC2CCNCC2)cccc1
+FC(F)(F)c1c(O)nc2ccc(OC)cc2n1
+FC(F)(F)c1c(OC)cc(c([N+](=O)[O-])c1)CC#N
+FC(F)(F)c1c(OC)nc(C(=O)O)c(c1)-n2c(C)ccc2C
+FC(F)(F)c1c(OCCOC2CCCCO2)ccc(Br)c1
+FC(F)(F)c1c([N+]([O-])=O)cc(C(=O)CBr)cc1
+FC(F)(F)c1c([N+]([O-])=O)cc(C(O)=O)cc1
+FC(F)(F)c1c(c(Cl)ccc1)C(Cl)=O
+FC(F)(F)c1c(c(c(COc2cnc(cc2)Cl)cc1)C(OC(C)(C)C)=O)O
+FC(F)(F)c1c(c(cc(C(O)=O)c1)Cl)N
+FC(F)(F)c1c(c(ccc1)CBr)C
+FC(F)(F)c1c(c(ccc1)Cl)N
+FC(F)(F)c1c(c(ccc1C#N)NC(C(C)(C)C)=O)C
+FC(F)(F)c1c(cc(Br)cc1)C
+FC(F)(F)c1c(cc(Cl)cc1)C=O
+FC(F)(F)c1c(cc(N)c([N+](=O)[O-])c1)OCC
+FC(F)(F)c1c(cc(cc1)C2CC(C(=O)OC)CN(C(=O)Oc3ccc(cc3)[N+]([O-])=O)C2)F
+FC(F)(F)c1c(cc(cc1F)Br)F
+FC(F)(F)c1c(ccc(-c2[nH]c(N3CCN(CC3)Cc4ccccc4)nc2)c1)F
+FC(F)(F)c1c(ccc(Br)c1)C=NO
+FC(F)(F)c1c(ccc(C#N)c1)F
+FC(F)(F)c1c(ccc(C#N)c1)N2CCCCC2C
+FC(F)(F)c1c(ccc(C(=O)O)c1)-n2cnc(C)c2
+FC(F)(F)c1c(ccc(C(=O)O)c1)C
+FC(F)(F)c1c(ccc(C(C(OCC)=O)(C(OCC)=O)CC(C)C)c1)[N+]([O-])=O
+FC(F)(F)c1c(ccc(CC(=O)O)c1)Br
+FC(F)(F)c1c(ccc(Cl)c1)N
+FC(F)(F)c1c(ccc(N=C=O)c1)Cl
+FC(F)(F)c1c(ccc(NC(OCc2ccccc2)=O)c1)CCO
+FC(F)(F)c1c(ccc(NC2CCC(CC2)O)c1)[N+]([O-])=O
+FC(F)(F)c1c(ccc(OC)n1)[N+]([O-])=O
+FC(F)(F)c1c(ccc([N+]([O-])=O)c1)F
+FC(F)(F)c1c(ccc(c1)Br)C#N
+FC(F)(F)c1c(ccc(c1)F)[N+]([O-])=O
+FC(F)(F)c1c(ccc(c1)N)F
+FC(F)(F)c1c(ccc(c1)OC)N
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)N(COC)c2c(ncc(c2)Cl)Br)Cl
+FC(F)(F)c1c(ccc(c1)S(=O)(=O)c2ccc(cc2)[N+]([O-])=O)Cl
+FC(F)(F)c1c(ccc(c1)[N+](=O)[O-])N
+FC(F)(F)c1c(ccc(c1)[N+]([O-])=O)OC
+FC(F)(F)c1c(ccc2[nH]c(cc12)CC)C#N
+FC(F)(F)c1c(cccc1)-c2c3CC(Oc3ccc2)COS(=O)(=O)c4ccc(cc4)C
+FC(F)(F)c1c(cccc1)Br
+FC(F)(F)c1c(cccc1)C(Oc2cc(-n3c4cc(CO)ccc4nc3)sc2C(OC)=O)C
+FC(F)(F)c1c(cccc1)C(Oc2cc(sc2C(OC)=O)-n3cnc4cnc(cc34)CO[Si](C)(C)C(C)(C)C)C
+FC(F)(F)c1c(cccc1)C=O
+FC(F)(F)c1c(cccc1)CC(NC(=O)OC(C)(C)C)CN2C(c3ccccc3C2=O)=O
+FC(F)(F)c1c(cccc1)CO
+FC(F)(F)c1c(cccc1)O
+FC(F)(F)c1c(cccn1)C(=O)NN
+FC(F)(F)c1c(cn(Cc2ccc3C(CCc3c2)NC(OCc4ccccc4)=O)n1)C(OCC)=O
+FC(F)(F)c1c(cnn1-c2ccc(Cl)cc2Cl)C(=O)OCC
+FC(F)(F)c1c(cnn1-c2cccc(-c3c(C=O)ccc(c3)F)n2)C(OCC)=O
+FC(F)(F)c1c(cnn1-c2ccccc2)C(O)=O
+FC(F)(F)c1c(cnn1-c2nc(-c3ccccc3O)ccc2)C(=O)OCC
+FC(F)(F)c1c(nc(Cl)nc1)NC
+FC(F)(F)c1c(nc(cc1)NCCCO)Cl
+FC(F)(F)c1c(nccc1)O
+FC(F)(F)c1c(ncs1)C(C)=O
+FC(F)(F)c1c(noc1-c2nc(no2)-c3ccc(cc3)C=C)-c4ccccc4
+FC(F)(F)c1c2CCCCc2[nH]n1
+FC(F)(F)c1c2CCN(C(=O)c2n(n1)-c3cc(c(cc3)F)Cl)c4ccc(cc4)I
+FC(F)(F)c1c2CN(CCc2ccc1)C(C(F)(F)F)=O
+FC(F)(F)c1c2COCCc2[nH]n1
+FC(F)(F)c1c2OC(Nc2ccc1)=S
+FC(F)(F)c1c2c([nH]n1)CC(C)(C)CC2=O
+FC(F)(F)c1c2c(c(Cl)ccn2)ccc1
+FC(F)(F)c1c2c(ccc1)c(C3CCNCC3)c(s2)C(=O)OC
+FC(F)(F)c1c2c(ccc1)c(nc(n2)C)-c3cc(ccc3Cl)O
+FC(F)(F)c1c2c(ncnc2[nH]c1)Cl
+FC(F)(F)c1c2n(cc(Br)c1)c(c(C(OCC)=O)n2)Cl
+FC(F)(F)c1c2ncc(C(OCC)=O)c(-c3ccccc3)c2ccc1
+FC(F)(F)c1c2nccc(c2ccc1)O
+FC(F)(F)c1cc(-c2cc(Cl)c(Cl)cc2)nc(O)n1
+FC(F)(F)c1cc(-c2ccc(cc2)-c3cc(ccc3)S(=O)(=O)C)n(n1)CC(OCC)=O
+FC(F)(F)c1cc(-c2ccc(cc2)C(OC)=O)c(C=O)c(c1)OC
+FC(F)(F)c1cc(-c2ccc(cc2)CCO)n(-c3ccc(cc3)Cl)n1
+FC(F)(F)c1cc(-c2cnc(cc2)C(C)N)ccn1
+FC(F)(F)c1cc(-c2nc(N)sn2)ccc1F
+FC(F)(F)c1cc(-c2sc3cc(C)ccc3n2)ccc1-c4ccccc4
+FC(F)(F)c1cc(-n2c(nc(C)c2)C)ccc1N
+FC(F)(F)c1cc(B(O)O)ccc1F
+FC(F)(F)c1cc(Br)c(I)c(N)c1
+FC(F)(F)c1cc(Br)c(nc1)N
+FC(F)(F)c1cc(Br)cc(F)c1
+FC(F)(F)c1cc(C#C[Si](C)(C)C)c(N)cc1F
+FC(F)(F)c1cc(C#N)cc(c1)F
+FC(F)(F)c1cc(C#N)nc(C(C)C)n1
+FC(F)(F)c1cc(C(=O)CN)ccc1
+FC(F)(F)c1cc(C(=O)Cl)n(-c2c(Cl)cccn2)n1
+FC(F)(F)c1cc(C(=O)NCC(=O)NC2CNCC2)ccc1
+FC(F)(F)c1cc(C(=O)Nc2cc(-c3n4c(cc(n4)-c5ccncc5)ncc3)ccc2)cc([N+](=O)[O-])c1
+FC(F)(F)c1cc(C(=O)Nc2cc(N)c(cc2)C)ccc1
+FC(F)(F)c1cc(C(=O)O)c(cc1)NC(=O)NCC
+FC(F)(F)c1cc(C(=O)O)n(-c2c(Cl)cccc2)n1
+FC(F)(F)c1cc(C(=O)OC)cc(c1)[N+](=O)[O-]
+FC(F)(F)c1cc(C(=O)OC)ccc1-c2cscc2C
+FC(F)(F)c1cc(C(=O)OC)ccc1CC2CCCCC2
+FC(F)(F)c1cc(C(F)(F)F)c(CBr)cc1
+FC(F)(F)c1cc(C(NCC(=O)NC2CNC2)=O)ccc1
+FC(F)(F)c1cc(C(O)=O)c(cc1)Cl
+FC(F)(F)c1cc(C(O)=O)c2ccccc2n1
+FC(F)(F)c1cc(C(O)=O)ccc1
+FC(F)(F)c1cc(C(O)=O)ccc1F
+FC(F)(F)c1cc(C(O)=O)ccc1OCC2CC2
+FC(F)(F)c1cc(C(O)c2ccccc2)ccc1
+FC(F)(F)c1cc(C(OC)OC)c(cc1)Oc2cc(CC(=O)OC)ccc2
+FC(F)(F)c1cc(C2(CC2)N)ccc1
+FC(F)(F)c1cc(C=NO)c(F)cc1
+FC(F)(F)c1cc(CBr)ccc1
+FC(F)(F)c1cc(CC(=O)O)ccc1F
+FC(F)(F)c1cc(CNC(C)C)cc(c1)C(=O)O
+FC(F)(F)c1cc(CO)ccc1
+FC(F)(F)c1cc(Cl)c(c(Cl)c1)-c2nn(C)c(SC)c2
+FC(F)(F)c1cc(Cl)c(c(c1)Cl)F
+FC(F)(F)c1cc(Cl)c2c(cccc2)n1
+FC(F)(F)c1cc(Cl)ccc1
+FC(F)(F)c1cc(Cl)ccc1CBr
+FC(F)(F)c1cc(Cl)ccc1CC(O)=O
+FC(F)(F)c1cc(Cl)n(n1)S(=O)(=O)N(C)C
+FC(F)(F)c1cc(Cl)nc(c1)Cl
+FC(F)(F)c1cc(Cl)ncc1
+FC(F)(F)c1cc(Cl)ncn1
+FC(F)(F)c1cc(F)c(B(O)O)cc1
+FC(F)(F)c1cc(F)c(NN)c(Cl)c1
+FC(F)(F)c1cc(F)c(c(c1)Cl)[N+]([O-])=O
+FC(F)(F)c1cc(F)c(c(c1)F)[N+](=O)[O-]
+FC(F)(F)c1cc(F)c(cc1)Br
+FC(F)(F)c1cc(F)ccc1B(O)O
+FC(F)(F)c1cc(F)ccc1N
+FC(F)(F)c1cc(F)ccc1O
+FC(F)(F)c1cc(F)ncc1
+FC(F)(F)c1cc(I)c2c(ncn2-c3ccccc3)c1
+FC(F)(F)c1cc(N(C)C)cc(c1)Br
+FC(F)(F)c1cc(N)c(C(=O)N)cc1
+FC(F)(F)c1cc(N)c(cc1)Cl
+FC(F)(F)c1cc(N)c(cc1Cl)N
+FC(F)(F)c1cc(N)cc(c1)N
+FC(F)(F)c1cc(N)cc(c1NC(=O)C)Br
+FC(F)(F)c1cc(N)nc(C(=O)OC)c1
+FC(F)(F)c1cc(N2C(=O)NC(c3ccc(C#N)cc3Br)C(C(OCC)=O)=C2C)ccc1
+FC(F)(F)c1cc(N2C(C)=CC=C(C2=O)C(=O)O)ccc1
+FC(F)(F)c1cc(N2CCNCC2)nc(C)c1
+FC(F)(F)c1cc(NC(=O)Cc2c(F)cc(cc2)Br)cnc1C(C)=O
+FC(F)(F)c1cc(NC(=O)c2ccc(C)c(N)c2)ccc1-n3ccnc3C
+FC(F)(F)c1cc(NC(c2cc(I)c(C)cc2)=O)ccc1CN3CCN(CC3)CCO
+FC(F)(F)c1cc(NC)ccc1
+FC(F)(F)c1cc(O)ccc1F
+FC(F)(F)c1cc(O)nc2cccc(O)c12
+FC(F)(F)c1cc(OCc2ccccc2)ccc1Br
+FC(F)(F)c1cc(OCc2ccccc2)ccc1CC(C(OC)=O)OCC
+FC(F)(F)c1cc(Oc2cc(ccc2)C=O)ccc1
+FC(F)(F)c1cc(Oc2ccc(cc2)CC[N+](=O)[O-])ccc1Cl
+FC(F)(F)c1cc(Oc2cccc(C(=O)O)c2)ccc1
+FC(F)(F)c1cc(S(=O)(=O)CCSc2ncccc2[N+]([O-])=O)ccc1
+FC(F)(F)c1cc(S)ccc1
+FC(F)(F)c1cc([N+](=O)[O-])c(cc1)NC
+FC(F)(F)c1cc([N+](=O)[O-])cc(Cl)c1F
+FC(F)(F)c1cc([N+](=O)[O-])cc(O)c1
+FC(F)(F)c1cc([Sn](CCCC)(CCCC)CCCC)ccc1
+FC(F)(F)c1cc(c(-c2cc(O)c(Cl)cc2F)nc1)Cl
+FC(F)(F)c1cc(c(Br)cc1C)[N+](=O)[O-]
+FC(F)(F)c1cc(c(C)cc1)C(=O)O
+FC(F)(F)c1cc(c(Cl)cc1)B(O)O
+FC(F)(F)c1cc(c(Cl)nc1)Cl
+FC(F)(F)c1cc(c(F)cc1)O
+FC(F)(F)c1cc(c(NC(=O)OC(C)(C)C)cc1F)[N+](=O)[O-]
+FC(F)(F)c1cc(c(cc1)-c2cc(Cl)ncn2)NC(=O)OC(C)(C)C
+FC(F)(F)c1cc(c(cc1)Br)CO
+FC(F)(F)c1cc(c(cc1)C(=O)O)F
+FC(F)(F)c1cc(c(cc1)Cl)C(=O)Cl
+FC(F)(F)c1cc(c(cc1)F)C(Cl)=O
+FC(F)(F)c1cc(c(cc1)F)C=O
+FC(F)(F)c1cc(c(cc1)I)C(=O)O
+FC(F)(F)c1cc(c(cc1)N)N
+FC(F)(F)c1cc(c(cc1)OCC(=O)OCC)Cl
+FC(F)(F)c1cc(c(cc1)S(=O)(=O)Cl)Cl
+FC(F)(F)c1cc(c(cc1)S(=O)(=O)Cl)[N+]([O-])=O
+FC(F)(F)c1cc(c(cc1Cl)N)[N+](=O)[O-]
+FC(F)(F)c1cc(c(cn1)Br)C#N
+FC(F)(F)c1cc(c(nc1)Cl)[N+]([O-])=O
+FC(F)(F)c1cc(c2c(ccc(c2)Br)n1)O
+FC(F)(F)c1cc(c2nc(cn2c1)C(=O)O)Cl
+FC(F)(F)c1cc(cc(Br)c1)C(N(CC(c2ccc(cc2)F)CC=C)C)=O
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(C)OC2CCc3c(cccn3)C2c4ccc(cc4)F
+FC(F)(F)c1cc(cc(C(F)(F)F)c1)C(OC2CC(OC)=NCC2c3ccc(cc3)F)C
+FC(F)(F)c1cc(cc(CO)c1)Br
+FC(F)(F)c1cc(cc(Cl)c1)Oc2ccc(cc2)C=C
+FC(F)(F)c1cc(cc(Cl)c1N)C(=O)CBr
+FC(F)(F)c1cc(cc(F)c1)S(=O)(=O)NC2c3cnn(c3CCC2)CC(=O)OCC
+FC(F)(F)c1cc(cc(N)c1)Cl
+FC(F)(F)c1cc(cc(N)c1)[N+](=O)[O-]
+FC(F)(F)c1cc(cc([N+](=O)[O-])c1)C(=O)O
+FC(F)(F)c1cc(cc([N+](=O)[O-])c1)OC
+FC(F)(F)c1cc(cc(c1)Br)S(=O)(=O)Cl
+FC(F)(F)c1cc(cc(c1)Cl)C(=O)N(C)OC
+FC(F)(F)c1cc(cc(c1)N)Br
+FC(F)(F)c1cc(cc(n1)Cl)CCl
+FC(F)(F)c1cc(ccc1)C(=O)Cl
+FC(F)(F)c1cc(ccc1)C(Nc2ccc(cc2)N)=O
+FC(F)(F)c1cc(ccc1)C2CCC(N2c3ccc(cc3)Oc4ccc(cc4)Cl)=O
+FC(F)(F)c1cc(ccc1)I
+FC(F)(F)c1cc(ccc1)N
+FC(F)(F)c1cc(ccc1)N2C(C)=C(C(NC2=O)c3c([N+](=O)[O-])cc(cc3)C#N)C(=O)O
+FC(F)(F)c1cc(ccc1)N2CCN(CCC2)C(OC(C)(C)C)=O
+FC(F)(F)c1cc(ccc1)N2CCNCC2
+FC(F)(F)c1cc(ccc1)N=C2c3ccccc3N(C2=O)c4ccc(cc4)O
+FC(F)(F)c1cc(ccc1)N=C=O
+FC(F)(F)c1cc(ccc1)NC(N)=O
+FC(F)(F)c1cc(ccc1)NC2=C(C(=O)CCC2)C(c3c(cc(cc3)C#N)SC)N
+FC(F)(F)c1cc(ccc1)NC2=CC(CC2)=O
+FC(F)(F)c1cc(ccc1)O
+FC(F)(F)c1cc(ccc1B(O)O)Cl
+FC(F)(F)c1cc(ccc1C#N)-n2c(nnn2)CCl
+FC(F)(F)c1cc(ccc1C#N)F
+FC(F)(F)c1cc(ccc1C#N)N2C(N(CCCC(=O)O)C(C)(C)C2=O)=S
+FC(F)(F)c1cc(ccc1C(=O)Cl)F
+FC(F)(F)c1cc(ccc1C)C(OC)=O
+FC(F)(F)c1cc(ccc1CBr)F
+FC(F)(F)c1cc(ccc1CN2CCC(CC2)C=O)C(F)(F)F
+FC(F)(F)c1cc(ccc1CN2CCN(CC2)C)C(=O)O
+FC(F)(F)c1cc(ccc1Cl)B(O)O
+FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Cl
+FC(F)(F)c1cc(ccc1N=C=O)Br
+FC(F)(F)c1cc(ccc1O)Br
+FC(F)(F)c1cc(ccc1OC)Br
+FC(F)(F)c1cc(ccc1OCC)B(O)O
+FC(F)(F)c1cc(ccc1OCCCOC2CCCCO2)Br
+FC(F)(F)c1cc(ccc1[N+](=O)[O-])Br
+FC(F)(F)c1cc(cnc1-c2ccnc(c2)C)CC(=O)OC(C)(C)C
+FC(F)(F)c1cc(cs1)C(OC)=O
+FC(F)(F)c1cc(n(-c2ccc(F)c(F)c2)n1)CN
+FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3nc(cs3)C#C)n1)C
+FC(F)(F)c1cc(n(n1)C)Oc2cccc(n2)C#N
+FC(F)(F)c1cc(nc(Cl)c1C(=O)N)Cl
+FC(F)(F)c1cc(nc(c1C#N)Cl)Cl
+FC(F)(F)c1cc(nc2[nH]ncc12)O
+FC(F)(F)c1cc(ncc1)CN
+FC(F)(F)c1cc(ncc1)N
+FC(F)(F)c1cc(ncc1C(=O)OC)Cl
+FC(F)(F)c1cc(ncn1)O
+FC(F)(F)c1cc2CCC(P(OCC)(OCC)=O)N3C(C(=O)Nc(c1)c23)=O
+FC(F)(F)c1cc2CNCCc2cc1
+FC(F)(F)c1cc2N(C(CC(=O)c2cc1F)C)C(OCc3ccccc3)=O
+FC(F)(F)c1cc2N(C(c3ccc(c(Cl)c3)Cl)C#N)CC(CC)Nc2cc1
+FC(F)(F)c1cc2c(NC(CC2N)CC)cc1
+FC(F)(F)c1cc2c(c(Cl)ccn2)cc1
+FC(F)(F)c1cc2c(cc(C(OCC)=O)nc2cc1)O
+FC(F)(F)c1cc2c(cc1)ccn2C(C)(C)C(=O)O
+FC(F)(F)c1cc2c(cc1C)C(CCCN2)=O
+FC(F)(F)c1cc2c(nc1)CCN(C(=O)C3(CCNC3)COC)C2
+FC(F)(F)c1cc[n+](c(Cl)c1)[O-]
+FC(F)(F)c1cc[nH]c1C(=O)OC
+FC(F)(F)c1ccc(-c2cc(ccc2OC)C(C)C)c(c1)C=O
+FC(F)(F)c1ccc(-c2ncnc(Nc3ccc(cc3)OC)c2[N+]([O-])=O)c(F)c1
+FC(F)(F)c1ccc(B(O)O)c(c1)Cl
+FC(F)(F)c1ccc(B(O)O)c(c1)OC
+FC(F)(F)c1ccc(Br)c(CBr)c1
+FC(F)(F)c1ccc(Br)c(S(=O)(=O)Cl)c1
+FC(F)(F)c1ccc(Br)cc1F
+FC(F)(F)c1ccc(Br)cn1
+FC(F)(F)c1ccc(Br)nc1
+FC(F)(F)c1ccc(C#N)c(n1)Cl
+FC(F)(F)c1ccc(C(=O)CBr)cc1F
+FC(F)(F)c1ccc(C(=O)Cl)c(c1)F
+FC(F)(F)c1ccc(C(CC)=CC)c2N(C(=O)Nc12)C
+FC(F)(F)c1ccc(C(O)=O)c(OC)c1
+FC(F)(F)c1ccc(C(OC)=O)c(c1)C2CC2
+FC(F)(F)c1ccc(C(OCC)=O)c(OCC)c1
+FC(F)(F)c1ccc(C)c(c1)Br
+FC(F)(F)c1ccc(C=CC(OC)=O)c(Cl)n1
+FC(F)(F)c1ccc(C=O)c(c1)F
+FC(F)(F)c1ccc(CBr)nc1
+FC(F)(F)c1ccc(CN2C(=O)C(=O)c3c2cccc3)o1
+FC(F)(F)c1ccc(CN2c3c(c(ccc3)Br)C(O)(C2=O)c4nc(OC)ccc4O)o1
+FC(F)(F)c1ccc(COc2ccnc(O)c2)cn1
+FC(F)(F)c1ccc(Cl)c(-c2[nH]c(cc2C(OCC)=O)-c3nc(ncc3)N)c1
+FC(F)(F)c1ccc(Cl)c([N+](=O)[O-])c1
+FC(F)(F)c1ccc(Cl)nn1
+FC(F)(F)c1ccc(F)c(Br)c1
+FC(F)(F)c1ccc(N)c([N+]([O-])=O)c1
+FC(F)(F)c1ccc(N)c(c1)Cl
+FC(F)(F)c1ccc(N)cc1F
+FC(F)(F)c1ccc(N=C=O)c(Cl)c1
+FC(F)(F)c1ccc(OC)c(c1)C(C)=O
+FC(F)(F)c1ccc(OCc2c(F)cc(cc2)F)c(c1)B(O)O
+FC(F)(F)c1ccc(OCc2ccccc2)c(B(O)O)c1
+FC(F)(F)c1ccc(OCc2ccccc2)c(c1C)[N+](=O)[O-]
+FC(F)(F)c1ccc(Oc2cc(Br)cc(c2)Br)nc1
+FC(F)(F)c1ccc(c(-c2n(ncc2)C)c1)B(O)O
+FC(F)(F)c1ccc(c(C(=O)O)c1)N
+FC(F)(F)c1ccc(c(C)c1)N
+FC(F)(F)c1ccc(c(C2CC2)n1)C=O
+FC(F)(F)c1ccc(c(CO)c1)Cl
+FC(F)(F)c1ccc(c(N)c1)O
+FC(F)(F)c1ccc(c(N)c1)OC
+FC(F)(F)c1ccc(c(N)n1)C(=O)OC
+FC(F)(F)c1ccc(c(N=C=O)c1)F
+FC(F)(F)c1ccc(c(O)n1)C(=O)OC
+FC(F)(F)c1ccc(c(c1)Br)I
+FC(F)(F)c1ccc(c(c1)[N+](=O)[O-])C(O)=O
+FC(F)(F)c1ccc(c(c1)[N+](=O)[O-])NCCCCl
+FC(F)(F)c1ccc(c(c1)[N+]([O-])=O)F
+FC(F)(F)c1ccc(c(n1)N2CCCC2)CN
+FC(F)(F)c1ccc(c(n1)OC)CCl
+FC(F)(F)c1ccc(cc1)-c2[nH]c(nc2C)N
+FC(F)(F)c1ccc(cc1)-c2c(C(O)=O)ccc(c2)C
+FC(F)(F)c1ccc(cc1)-c2c(cc(cc2C)O)C
+FC(F)(F)c1ccc(cc1)-c2c(cccc2)C(Cl)=O
+FC(F)(F)c1ccc(cc1)-c2c3CN(CCc3n(CCC=O)n2)S(=O)(=O)C
+FC(F)(F)c1ccc(cc1)-c2c3ccc(OCCO)cc3sc2C
+FC(F)(F)c1ccc(cc1)-c2c[nH]c(Cc3ccc(cc3)Br)n2
+FC(F)(F)c1ccc(cc1)-c2cc(CC#N)n(C)n2
+FC(F)(F)c1ccc(cc1)-c2cc(cc(C(CC(C)C)C(OCC)=O)c2)-c3cnccc3
+FC(F)(F)c1ccc(cc1)-c2cc(ccc2)NCCC
+FC(F)(F)c1ccc(cc1)-c2cc(ncn2)Cl
+FC(F)(F)c1ccc(cc1)-c2ccc(C(=O)N(OC)C)cc2C
+FC(F)(F)c1ccc(cc1)-c2ccc(C(=O)OC)nn2
+FC(F)(F)c1ccc(cc1)-c2ccc(CC(=O)O)c(C)n2
+FC(F)(F)c1ccc(cc1)-c2ccc3c(c2)C(C)(C)CN3
+FC(F)(F)c1ccc(cc1)-c2coc(CC(OCC)=O)n2
+FC(F)(F)c1ccc(cc1)-c2n(C)nc(C(=O)C)c2O
+FC(F)(F)c1ccc(cc1)-c2n(c(cn2)C)C
+FC(F)(F)c1ccc(cc1)-c2nc(C(C)C)c(o2)C(C(=O)OCC)C
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(C=O)s2
+FC(F)(F)c1ccc(cc1)-c2nc(C)c(cc2)C(=O)OC
+FC(F)(F)c1ccc(cc1)-c2nc(Cl)ncc2
+FC(F)(F)c1ccc(cc1)-c2nc(N)sc2
+FC(F)(F)c1ccc(cc1)-c2nc(c(C)o2)-c3ccc(cc3)Br
+FC(F)(F)c1ccc(cc1)-c2nc(c(CCl)s2)C
+FC(F)(F)c1ccc(cc1)-c2nc(c(cn2)CCl)C3CC3
+FC(F)(F)c1ccc(cc1)-c2nc(c(o2)C)CCl
+FC(F)(F)c1ccc(cc1)-c2nc(c(s2)CCO)C
+FC(F)(F)c1ccc(cc1)-c2nc(c3ccccc3n2)C(O)=O
+FC(F)(F)c1ccc(cc1)-c2nc(cc(c2)CN)N3CCCC3
+FC(F)(F)c1ccc(cc1)-c2nc(nc(C)c2)I
+FC(F)(F)c1ccc(cc1)-c2nc(nc(c2)C)O
+FC(F)(F)c1ccc(cc1)-c2nc3c(CNCC3)s2
+FC(F)(F)c1ccc(cc1)-c2nc3c(cc2)NCC3C(C)C
+FC(F)(F)c1ccc(cc1)-c2ncc(c(C3CC3)n2)C(=O)OCC
+FC(F)(F)c1ccc(cc1)-c2nn(C)c(CO)c2C
+FC(F)(F)c1ccc(cc1)-c2nn(c(C(OCC)=O)c2)C
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(OC)c3
+FC(F)(F)c1ccc(cc1)-c2nsc3c2ccc(c3)OS(=O)(=O)C(F)(F)F
+FC(F)(F)c1ccc(cc1)-c2oc(C)c(n2)CCOS(=O)(=O)c3ccc(cc3)C
+FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(c(OC)c3)C=4NOC(=O)N=4)c(CCCOCc5ccccc5)n2
+FC(F)(F)c1ccc(cc1)-c2sc(c(n2)C)C(CC)O
+FC(F)(F)c1ccc(cc1)-c2sc(c(n2)C)CCC(c3cc(C)c(O)cc3)=O
+FC(F)(F)c1ccc(cc1)-n2cc(cc2)C=O
+FC(F)(F)c1ccc(cc1)B(O)O
+FC(F)(F)c1ccc(cc1)Br
+FC(F)(F)c1ccc(cc1)C#C
+FC(F)(F)c1ccc(cc1)C(=O)C
+FC(F)(F)c1ccc(cc1)C(=O)Cl
+FC(F)(F)c1ccc(cc1)C(=S)N
+FC(F)(F)c1ccc(cc1)C(CBr)=O
+FC(F)(F)c1ccc(cc1)C(CC(=O)OCC)=O
+FC(F)(F)c1ccc(cc1)C(O)=O
+FC(F)(F)c1ccc(cc1)C23C(CNC2)C3
+FC(F)(F)c1ccc(cc1)C2CNCC(NC(=O)c3ccccc3)C2
+FC(F)(F)c1ccc(cc1)C=CC(=O)N
+FC(F)(F)c1ccc(cc1)C=Cc2nc(C(OCC)=O)co2
+FC(F)(F)c1ccc(cc1)C=O
+FC(F)(F)c1ccc(cc1)CBr
+FC(F)(F)c1ccc(cc1)CC(C(c2ccccc2)O)C(=O)OCC
+FC(F)(F)c1ccc(cc1)CC(O)=O
+FC(F)(F)c1ccc(cc1)CCC(=O)O
+FC(F)(F)c1ccc(cc1)CCC2CCC(CC2)C3CCC(CC3)CCC4OCCCO4
+FC(F)(F)c1ccc(cc1)CCC2CNCCN2
+FC(F)(F)c1ccc(cc1)CCI
+FC(F)(F)c1ccc(cc1)CN
+FC(F)(F)c1ccc(cc1)CN2C(=O)C(C(=O)OC)=C(O)c3cc(cn23)Br
+FC(F)(F)c1ccc(cc1)CN=C=O
+FC(F)(F)c1ccc(cc1)CN=[N+]=[N-]
+FC(F)(F)c1ccc(cc1)CO
+FC(F)(F)c1ccc(cc1)CON=C(c2ccc(cc2)OCC(OCC)=O)C
+FC(F)(F)c1ccc(cc1)CP(OCC)(OCC)=O
+FC(F)(F)c1ccc(cc1)Cc2c(C(O)=O)c(sc2C)C
+FC(F)(F)c1ccc(cc1)Cl
+FC(F)(F)c1ccc(cc1)Cn2cc([N+]([O-])=O)cn2
+FC(F)(F)c1ccc(cc1)I
+FC(F)(F)c1ccc(cc1)N
+FC(F)(F)c1ccc(cc1)N2CCNCC2
+FC(F)(F)c1ccc(cc1)N=C=O
+FC(F)(F)c1ccc(cc1)NC(c2ccc(c(c2)C)C#N)=O
+FC(F)(F)c1ccc(cc1)Nc2nc(C=C)ncn2
+FC(F)(F)c1ccc(cc1)O
+FC(F)(F)c1ccc(cc1)OC(Cl)=O
+FC(F)(F)c1ccc(cc1)OCOC
+FC(F)(F)c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)Cl
+FC(F)(F)c1ccc(cc1)S(=O)(=O)Cl
+FC(F)(F)c1ccc(cc1)S(=O)(=O)N(C2CCC(CC2)OCCCC(O)=O)C
+FC(F)(F)c1ccc(cc1)[Mg]Br
+FC(F)(F)c1ccc(cc1C(Cl)=O)F
+FC(F)(F)c1ccc(cn1)-c2cc(ncc2Cl)C(=O)OC
+FC(F)(F)c1ccc(cn1)-n2c(cnc2)-c3c(F)cc(cc3F)OC
+FC(F)(F)c1ccc(cn1)C=O
+FC(F)(F)c1ccc(cn1)CC(O)=O
+FC(F)(F)c1ccc(cn1)Nc2ncc(-c3ccc(cc3)C4CCN(CC4)C(OC(C)(C)C)=O)cc2
+FC(F)(F)c1ccc(cn1)O
+FC(F)(F)c1ccc(o1)CBr
+FC(F)(F)c1ccc2CCC(c2c1)N3C(C)CNCC3
+FC(F)(F)c1ccc2CCCNc2c1
+FC(F)(F)c1ccc2N(CC(=O)OC)C(C=Cc2c1)=O
+FC(F)(F)c1ccc2NC(CC)CC(NC(OCc3ccccc3)=O)c2c1
+FC(F)(F)c1ccc2c(Cl)ccnc2n1
+FC(F)(F)c1ccc2c(c(C(=O)OCC)c(nc2c1)SCC)O
+FC(F)(F)c1ccc2c(c(Cl)ncn2)c1
+FC(F)(F)c1ccc2c(c1)ncc(C(=O)OCC)c2O
+FC(F)(F)c1ccc2cc(-c3ccc(cc3)F)nn2c1
+FC(F)(F)c1ccc2nc(c(c(O)c2c1)C(=O)OC)C
+FC(F)(F)c1ccc2nccc(O)c2c1
+FC(F)(F)c1cccc(-c2c(c(c3cc(ccc3n2)Br)C(=O)O)C)c1
+FC(F)(F)c1cccc(-c2nc(C)c(C(=O)OC)cc2)c1
+FC(F)(F)c1cccc(-c2ncc(N)nc2)c1
+FC(F)(F)c1cccc(-c2nnc3CC(CC(=O)c3c2)C)c1
+FC(F)(F)c1cccc(-n2c(C)cnc2OCC)c1
+FC(F)(F)c1cccc(B(O)O)c1
+FC(F)(F)c1cccc(C(=N)N)c1
+FC(F)(F)c1cccc(C(=NO)N)c1
+FC(F)(F)c1cccc(C(=O)Nc2ccc(O)c(-c3n(C)ncc3Cl)c2)c1
+FC(F)(F)c1cccc(C(=O)O)c1C
+FC(F)(F)c1cccc(C(=O)O)c1N
+FC(F)(F)c1cccc(C(=O)OC)c1
+FC(F)(F)c1cccc(C=O)c1
+FC(F)(F)c1cccc(C=O)c1C
+FC(F)(F)c1cccc(C=O)n1
+FC(F)(F)c1cccc(CC(=O)O)c1
+FC(F)(F)c1cccc(CC(CN2C(=O)c3c(C2=O)cccc3)N)c1
+FC(F)(F)c1cccc(CCN)c1
+FC(F)(F)c1cccc(CN)c1
+FC(F)(F)c1cccc(Cc2c3nc(Cl)cc(Cl)n3nc2C)c1C
+FC(F)(F)c1cccc(Cc2ccc(cc2)C(OC)=O)c1
+FC(F)(F)c1cccc(Cl)c1C(=O)O
+FC(F)(F)c1cccc(F)c1C=O
+FC(F)(F)c1cccc(F)c1CN2C(N(C(=O)C(=C2C)Br)CC(NC(=O)OC(C)(C)C)c3ccccc3)=O
+FC(F)(F)c1cccc(N2C(=O)NC(c3ccc(cc3Br)C#N)C=4C(NCCC2=4)=O)c1
+FC(F)(F)c1cccc(N2C(C)=CN=C(C(OC)=O)C2=O)c1
+FC(F)(F)c1cccc(N2C(c3c(NCCOC)non3)=NOC2=O)c1
+FC(F)(F)c1cccc(N=C(N)N)c1
+FC(F)(F)c1cccc(NC(=O)N2CCCCc3c2ccc(OC)c3)c1
+FC(F)(F)c1cccc(NC(=O)NC(c2ccc(cc2)C#N)C3=C(OCC)CCCC3=O)c1
+FC(F)(F)c1cccc(NC=2CCC(C=2C(N)c3c(cc(cc3)C#N)SC)=O)c1
+FC(F)(F)c1cccc(OCC(CN=[N+]=[N-])=NOC)c1
+FC(F)(F)c1cccc(Oc2c(C(O)=O)ccc(Cl)c2)c1
+FC(F)(F)c1cccc(S(=O)(=O)Cl)c1
+FC(F)(F)c1cccc(c1)-c2ccc3[nH]c(nc3c2)N
+FC(F)(F)c1cccc(c1)-c2nc(SC)nnc2
+FC(F)(F)c1cccc(c1)-c2nc3c(nccc3COC(=O)C)s2
+FC(F)(F)c1cccc(c1)-c2oc(C(O)=O)cc2
+FC(F)(F)c1cccc(c1)C(=O)C
+FC(F)(F)c1cccc(c1)C(C(N)c2cc(ncc2)F)O
+FC(F)(F)c1cccc(c1)CCl
+FC(F)(F)c1cccc(c1)OCC(CCC2C3C(OC(=O)C3)CC2OC(c4ccccc4)=O)O
+FC(F)(F)c1cccc(c1)S(=O)(=O)N(C2CC2)C3CCNCC3
+FC(F)(F)c1cccc(c1F)C(=O)C
+FC(F)(F)c1cccc(n1)N
+FC(F)(F)c1cccc2C(=O)OC(C(CC)NC(=O)OC(C)(C)C)=Nc12
+FC(F)(F)c1cccc2c(ncnc12)-c3cc(O)ccc3F
+FC(F)(F)c1ccccc1
+FC(F)(F)c1ccccc1-c2[nH]cc(C(OC)=O)c2C
+FC(F)(F)c1ccccc1-c2nc(O)c3c(c2)ccc(c3)N
+FC(F)(F)c1ccccc1-c2nc(OC)c([N+](=O)[O-])c(c2)N
+FC(F)(F)c1ccccc1B(O)O
+FC(F)(F)c1ccccc1C(O)=O
+FC(F)(F)c1ccccc1C=CC(=O)C
+FC(F)(F)c1ccccc1CC(CN2C(c3ccccc3C2=O)=O)N(C(C)(C)C)C(=O)O
+FC(F)(F)c1ccccc1CN
+FC(F)(F)c1ccccc1I
+FC(F)(F)c1ccccc1S(=O)(=O)Cl
+FC(F)(F)c1cccnc1F
+FC(F)(F)c1cccnc1N
+FC(F)(F)c1cccnc1N2CCNCC2
+FC(F)(F)c1ccnc(COC(=O)C)c1
+FC(F)(F)c1ccnc(NC(Nc2ccc(cc2)-c3c(C=O)cn4c3c(N)ncn4)=O)c1
+FC(F)(F)c1ccnc(n1)Cl
+FC(F)(F)c1ccncc1Br
+FC(F)(F)c1ccnnc1O
+FC(F)(F)c1cn2nc(-c3cccc(F)c3)c(C(=O)OC)c2cc1
+FC(F)(F)c1cnc(-c2ccc(cc2)C=O)cc1
+FC(F)(F)c1cnc(-c2ccc(cc2)F)c(Cl)c1
+FC(F)(F)c1cnc(-n2cc(c(n2)CCC)C(=O)OCC)cc1
+FC(F)(F)c1cnc(Br)cn1
+FC(F)(F)c1cnc(Cl)c(c1)C(=O)O
+FC(F)(F)c1cnc(Cl)cn1
+FC(F)(F)c1cnc(N2C(CNCC2)C)cc1
+FC(F)(F)c1cnc(Oc2c(C=C(C(OCC)=O)C)ccc(O)c2)c(Cl)c1
+FC(F)(F)c1cnc(Oc2ccc(cc2)O)cc1
+FC(F)(F)c1cnc(c(F)c1)F
+FC(F)(F)c1cnc(c(N)c1)Cl
+FC(F)(F)c1cnc(c(c1)[N+]([O-])=O)O
+FC(F)(F)c1cnc(cc1)-c2ccc(cc2)CBr
+FC(F)(F)c1cnc(cc1)CCl
+FC(F)(F)c1cnc(cc1)Cl
+FC(F)(F)c1cnc(cc1)N
+FC(F)(F)c1cnc(cc1)OCCCO
+FC(F)(F)c1cnc(nc1)Cl
+FC(F)(F)c1cnc(nc1OC(C)C(OCc2ccccc2)C)Cl
+FC(F)(F)c1cnc2[nH]cc([N+](=O)[O-])c2c1Cl
+FC(F)(F)c1cnc2ccnc(c2c1)O
+FC(F)(F)c1cnn2c(ncc2Br)n1
+FC(F)(F)c1csc(-c2c(cnc(NC(NCC)=O)c2)Br)n1
+FC(F)(F)c1csc(CO)c1
+FC(F)(F)c1csc(c1C(=O)OCC)N
+FC(F)(F)c1n(C)nc(c1)-c2cc(F)ccc2F
+FC(F)(F)c1n(nc(-c2cc(c(cc2F)F)[N+](=O)[O-])c1Cl)C
+FC(F)(F)c1n2c(nn1)CC(CC2)C(NCc3c(Cl)nccn3)=O
+FC(F)(F)c1n2c(nn1)ccc(Cl)n2
+FC(F)(F)c1n2ncc(c2nc(-c3ccc(c(c3)C)C(F)(F)F)c1)C(=O)O
+FC(F)(F)c1n[nH]cc1CCO
+FC(F)(F)c1nc(C(=O)CBr)cs1
+FC(F)(F)c1nc(Cl)c(c(Cl)n1)[N+](=O)[O-]
+FC(F)(F)c1nc(Cl)ncc1C(=O)OC
+FC(F)(F)c1nc(Cl)sc1C(=O)OCC
+FC(F)(F)c1nc(F)c(cc1)B(O)O
+FC(F)(F)c1nc(N)c(C(OCC)=O)nc1
+FC(F)(F)c1nc(N2CCNCC2)ccc1
+FC(F)(F)c1nc(O)c2c(cccc2)n1
+FC(F)(F)c1nc(c(cc1)C(O)=O)C
+FC(F)(F)c1nc(c(cc1)CN)N2CCC(CC2)C
+FC(F)(F)c1nc(c2CNCCn12)C(=O)O
+FC(F)(F)c1nc(cc(CBr)c1)Cl
+FC(F)(F)c1nc(ccc1)-c2cccc(-c3ccc(c(OC)c3)OCc4ccccc4)c2
+FC(F)(F)c1nc(ccc1)Br
+FC(F)(F)c1nc(ccc1)C(O)=O
+FC(F)(F)c1nc(nc(c1)Cl)-c2ccncc2
+FC(F)(F)c1nc(ncc1C(OCC)=O)N
+FC(F)(F)c1nc(ncc1C(OCc2ccccc2)=O)Cl
+FC(F)(F)c1nc(no1)-c2sc(cc2)C(=O)O
+FC(F)(F)c1nc(sc1)-c2c(cnc(NC(NCC)=O)c2)B(O)O
+FC(F)(F)c1nc[nH]c1
+FC(F)(F)c1ncc(-c2cc(C)nc(n2)O)cc1
+FC(F)(F)c1ncc(-c2nc(CCOC)c(C(=O)OCC)cn2)cc1
+FC(F)(F)c1ncc(-c2ncnc(Cl)c2)cc1
+FC(F)(F)c1ncc(CCl)cc1
+FC(F)(F)c1ncc(F)cc1
+FC(F)(F)c1ncc(cc1)B(O)O
+FC(F)(F)c1ncc(cc1)N
+FC(F)(F)c1ncc(cc1Br)C(=O)OC
+FC(F)(F)c1ncc(cn1)Br
+FC(F)(F)c1ncc(cn1)O
+FC(F)(F)c1ncc(cn1)Oc2c(F)cc(cc2F)CCOC(=N)N
+FC(F)(F)c1nccc(B(O)O)c1
+FC(F)(F)c1nccc(O)c1
+FC(F)(F)c1nccc(c1)Br
+FC(F)(F)c1nccc(c1)NC2=C(C(c3ccc(cc3Br)C#N)N)C(=O)CC2
+FC(F)(F)c1nccc(n1)Cl
+FC(F)(F)c1nccnc1C(=O)O
+FC(F)(F)c1nn(-c2c(Cl)cccn2)c(c1)C(=O)O
+FC(F)(F)c1nn(-c2cccc(Cl)c2OC)c(CN)c1
+FC(F)(F)c1nn(C)c(-c2ccc(cc2F)N)c1
+FC(F)(F)c1nn(C)cc1C(=O)Cl
+FC(F)(F)c1nn(CC(N2CCC(CC2)C#N)=O)c(C)c1
+FC(F)(F)c1nn(CC(O)=O)c(C)c1
+FC(F)(F)c1nn(CC(O)=O)c2c1CCCC2
+FC(F)(F)c1nn(c(C(=O)O)c1)-c2ccccc2
+FC(F)(F)c1nn(c(CN)c1)-c2cccc(Cl)c2
+FC(F)(F)c1nn(c2c1CCN(C(OC(C)(C)C)=O)C2)CC(=O)O
+FC(F)(F)c1nnc(s1)Cl
+FC(F)(F)c1nnc2CN(c3n4ccnc(Cl)c4cn3)CCn12
+FC(F)(F)c1nnnn1-c2ccc(cc2)OCc3ccccc3
+FC(F)(F)c1noc2c(CCC)c(O)ccc12
+FC(F)(F)c1onc(-c2cncc(C(=O)O)c2)n1
+FC(F)(F)c1sc(nc1)N2CCNCC2
+FC(F)(OC(C)=O)Cl
+FC(F)(Oc1c(nccc1)Br)C
+FC(F)(SCC)C(=O)c1c(cc(F)cc1)F
+FC(F)(c1c2c(cccc2)c(F)cc1)C(Cl)=O
+FC(F)(c1cc([N+]([O-])=O)ccc1F)C
+FC(F)(c1cc(c(cc1)C(=O)OC)[N+](=O)[O-])C
+FC(F)(c1ccc(F)cn1)c2nc3cc(Br)ccc3c(S)n2
+FC(F)(c1ccc(cc1)N)C(F)(F)Cl
+FC(F)(c1ccc(cc1Cl)Cl)CBr
+FC(F)(c1ccc(cn1)F)C(=O)O
+FC(F)(c1ccccc1)C(=O)Nc2c(c(CCO)c(N)cc2)F
+FC(F)(c1ncc(Br)cc1)C(=O)c2c(F)cc(F)cc2
+FC(F)=C(CCO)C
+FC(F)=CC1C(C(Cl)=O)C1(C)C
+FC(F)C(=O)CCCC
+FC(F)C(=O)Nc1ncccc1
+FC(F)C(=O)OCC
+FC(F)C(CC#N)=O
+FC(F)C(CC(=C)C)N
+FC(F)C(CC(=O)OCC)=O
+FC(F)C(O)=O
+FC(F)C1(NC(=O)COC1)c2c(F)c(ccc2)F
+FC(F)C1COC(C)(CN1)CCO
+FC(F)CBr
+FC(F)CCOc1c(F)ccc(Br)c1
+FC(F)CN
+FC(F)CO
+FC(F)COc1c(C(=O)OCC)cc([N+]([O-])=O)c(NC)c1
+FC(F)COc1c(cc(c(c1)NC)[N+](=O)[O-])C(=O)Nc2ccc(cc2)Br
+FC(F)COc1cc(c(cc1C(=O)OCC)[N+]([O-])=O)N
+FC(F)COc1ccc(cc1)CC(O)=O
+FC(F)Cl
+FC(F)Cn1cc([N+](=O)[O-])cn1
+FC(F)Cn1ncc(N)c1
+FC(F)N1C(C)=NN(c2c(cc([N+]([O-])=O)cc2)F)C1=O
+FC(F)N1C(N(N=C1C)c2c(F)cc(c(c2)Oc3ccc(cc3)C(OCC)=O)Cl)=O
+FC(F)OCC(N)C(=O)O
+FC(F)OCC1CC(C1)C(OCC)=O
+FC(F)Oc1c(Cl)nccc1
+FC(F)Oc1c(F)c(C(=O)CC(OCC)=O)c([N+]([O-])=O)c(F)c1F
+FC(F)Oc1c(F)c(C(=O)OCC)cc(F)c1F
+FC(F)Oc1c(N)cccc1
+FC(F)Oc1c(O)cc(cc1)C=O
+FC(F)Oc1c(OCC)cc(cc1)C(CC(OC)=O)N
+FC(F)Oc1c(ccc(Br)c1)C#N
+FC(F)Oc1c(ccc(CC(O)=O)c1)Cl
+FC(F)Oc1c2c(c3cnccc3o2)c(C(=O)OC)cc1
+FC(F)Oc1cc(-n2ncc(C(=O)OCC)c2C)nn1C
+FC(F)Oc1cc(S(=O)(=O)Cl)ccc1
+FC(F)Oc1cc(ccc1Cl)Br
+FC(F)Oc1cc(nn1C)NN
+FC(F)Oc1ccc(-c2ccc(Cl)nn2)cc1OC
+FC(F)Oc1ccc(cc1)N
+FC(F)Oc1ccc(cc1Cl)F
+FC(F)Oc1ccc(cc1OC)CC(O)=O
+FC(F)Oc1ccc2c(c1)cc(C(OC)=O)c(n2)C(OC)=O
+FC(F)Oc1cccc(F)c1C(OC)=O
+FC(F)Oc1cccc(N)c1
+FC(F)Oc1ccccc1CBr
+FC(F)Oc1n(nc(c1Cl)-c2cc(c(Cl)cc2)C)C
+FC(F)Oc1ncc(Br)cc1
+FC(F)Oc1ncc(C(=O)OC)cc1Cl
+FC(F)c1[nH]c2c(n1)cccc2
+FC(F)c1[nH]c2cccc(OC)c2n1
+FC(F)c1c(C(OCC)=O)cc(CN)cn1
+FC(F)c1c(C(OCC)=O)ccc(n1)O
+FC(F)c1c(cc(C#N)c(O)n1)C(=O)OCC
+FC(F)c1c2c(nn(c2)C)nc(Cl)c1
+FC(F)c1cc(N)c(cc1)C(=O)OC
+FC(F)c1cc(c(Cl)cc1)F
+FC(F)c1cccc(c1)N
+FC(F)c1ccnc(Nc2nc(C#C)cc(C)c2)c1
+FC(F)c1n[nH]c(C)c1Br
+FC(F)c1nn(C)c(c1C(=O)O)F
+FC(F)c1nn(C)cc1C(=O)Cl
+FC(F)c1nn(C)cc1C(O)=O
+FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3nc(C4=NOC(c5ccccc5C=O)C4)cs3
+FC(F)c1nnc2n1cc(cc2C)[N+](=O)[O-]
+FC(F)n1cc(c(n1)C(OC)=O)Cl
+FC(F)n1ccc(n1)C(O)=O
+FC1(F)C(C(=O)O)C1
+FC1(F)C(C)CC(CC1)CN
+FC1(F)C(C2c3c(NC(=O)C2)cccc3)C1
+FC1(F)C(CN2c3c(N(S2(=O)=O)C)nc(-c4c(C)ccc(C(=O)OC)c4)cc3)C1
+FC1(F)C(F)(F)CNC1
+FC1(F)C(N)C(N)CCC1
+FC1(F)CC(C)CC(CN)(O)C1
+FC1(F)CC(C1)N
+FC1(F)CC(CC1)N(c2c(cnc(Cl)n2)[N+]([O-])=O)CC(C)(C)C(OC)=O
+FC1(F)CCC(C1)C(=O)O
+FC1(F)CCC(CC1)CO
+FC1(F)CCC(N)C1
+FC1(F)CCCC(C1)(CN)O
+FC1(F)CCCC(C1)CN
+FC1(F)CCN(CC1)c2nc(C3C(CCCC3)C(=O)OC)cs2
+FC1(F)CNCC1
+FC1(F)CNCCC1
+FC1(F)COCC(=N)NC1(CC)c2c(F)ccc(N)c2
+FC1(F)Oc2c(O1)ccc(C=O)c2
+FC1(F)Oc2c(O1)ccc(NCC)c2
+FC1(F)Oc2c(cc(C=CC(=O)O)cc2)O1
+FC1(F)Oc2c(ccc(C(O)=O)c2)O1
+FC1(F)Oc2c(cccc2N3N=C(C(C(OC)=C3)=O)C(=O)OC)O1
+FC1(F)Oc2cc(c(cc2O1)-c3cnc(cn3)NC(c4ccccc4F)=O)C
+FC1(F)Oc2cc(ccc2O1)C3(CC3)C(=O)O
+FC1(F)Oc2cc(ccc2O1)N
+FC1(F)Oc2cccc(c2O1)N
+FC1CC1N2c3c(c([N+](=O)[O-])c(c(F)c3C)F)C(C(C(=O)OCC)=C2)=O
+FC1CN(C(=O)CO)C(C1)C(=O)N
+FC1CNC(C1)C(=O)Nc2nc(Cl)ccc2
+FCC(=O)O
+FCC(=O)OC
+FCC(CF)(C(=O)C)C
+FCC(CF)(C)C(=O)OC
+FCC1(CF)Oc2ccc([N+](=O)[O-])cc2C(C(OCC)=O)=C1
+FCCI
+FCCOCCOCCCl
+FS(F)(F)(F)(F)c1cc2c(C=O)c[nH]c2cc1
+FS(F)(F)N(CC)CC
+F[B-](F)(F)C1CC1
+F[B-](F)(F)C=C
+F[B-](F)(F)F
+Fc1c(C)ccc(CC2CCCN2CC(COC(c3c(cccc3)CCC(OC)=O)C)O)c1
+Fc1c(CCN)cccc1
+Fc1c(CCO)cccc1
+Fc1c(CCl)cccc1
+Fc1c(CNCC)cccc1
+Fc1c(CO)cccc1
+Fc1c(Cn2c3nc(N)nc(c3nc2)C#N)cccc1
+Fc1c(F)c(c(F)c(F)c1)CC(C)N
+Fc1c(F)c(c(F)c(F)c1C(=O)O)N
+Fc1c(F)c(c(F)c(F)c1F)OS(=O)(=O)c2ccc3c(cc(nc3Br)Cl)c2
+Fc1c(F)c(c(c(F)c1C(CC(=O)OCC)=O)F)F
+Fc1c(F)c(c(c(F)c1N)F)Br
+Fc1c(F)cc(F)c(F)c1
+Fc1c(F)ccc(Br)c1
+Fc1c(OC)cc(OC)c(F)c1N2Cc3c(cc(Cl)nc3)N(C2=O)CC
+Fc1c(OC)cc(OC)c(F)c1N2Cc3cnc4[nH]ccc4c3N(CC=C)C2=O
+Fc1c(OC)cc(c(F)c1N2Cc3cnc(cc3CC2=O)Cl)OC
+Fc1c(OCC)ccc(F)c1OC(CBr)=CC(OCC)=O
+Fc1c([N+](=O)[O-])c(c(F)c(c1)F)F
+Fc1c(cc(N)c(c1)C(O)=O)F
+Fc1c(cc([N+]([O-])=O)c(F)c1C(O)=O)F
+Fc1c(cc(c(Cl)c1)Oc2c(O)cccc2)NC(C)=O
+Fc1c(cc(c(c1)C(=O)O)Cl)F
+Fc1c(cc2NC(=N)c3ccsc3Nc2c1)F
+Fc1c(ccc(OCC)c1F)Br
+Fc1cc(C(=O)Cl)ccc1F
+Fc1cc(C(=O)O)ccc1F
+Fc1cc(C(Cl)=O)c(F)cc1C
+Fc1cc(C(O)=O)c(Br)cc1F
+Fc1cc(C(O)=O)c(cc1F)C
+Fc1cc(N)c(c(F)c1C)F
+Fc1cc([N+]([O-])=O)c(cc1C)F
+Fc1cc(c(F)cc1C)C(=O)O
+Fc1cc(c(F)cc1F)C#N
+Fc1cc(c(F)cc1F)C(=O)O
+Fc1cc(c(cc1F)[N+]([O-])=O)C(O)=O
+Fc1cc(cc(F)c1)C#C
+Fc1cc(cc(F)c1)C(=O)O
+Fc1cc(cc(F)c1)CC(=O)O
+Fc1cc(cc(F)c1)CC(N)c2c(-c3ccc(c(c3)C(N)=O)F)cccn2
+Fc1cc(cc(F)c1)OC
+Fc1cc(cc(F)c1)[N+](=O)[O-]
+Fc1cc(cc(F)c1-c2c(ccc(C(OC)=O)n2)F)C=O
+Fc1cc(cc(F)c1C(=O)O)F
+Fc1cc(cc(F)c1C=2N(C(C(Cl)=NC=2Cl)=O)CC(CC)C)OC
+Fc1cc(cc(F)c1C=O)Br
+Fc1cc(cc(F)c1CC(=O)Cl)F
+Fc1cc(cc(F)c1F)Br
+Fc1cc(cc(F)c1F)C#N
+Fc1cc(cc(F)c1F)C(=O)C
+Fc1cc(cc(F)c1F)C=C(C)C(OCC)=O
+Fc1cc(cc(F)c1F)C=O
+Fc1cc(cc(F)c1F)[N+]([O-])=O
+Fc1cc(cc(F)c1N)C(OC)=O
+Fc1cc(cc(F)c1N2CCN(CC2)C(C)=O)N
+Fc1cc(cc(F)c1O)C(OC)=O
+Fc1cc(cc(F)c1O)CCC(=O)OCC
+Fc1cc(cc(F)c1O)F
+Fc1cc(cc(F)c1Oc2ccnc3[nH]ccc23)N
+Fc1cc(cc(F)n1)-c2ccnc(Cl)n2
+Fc1cc(ccc1F)C#N
+Fc1cc(ccc1F)N(C(N)=O)O
+Fc1cc2N=C(OCC)CC(Nc2cc1F)=O
+Fc1cccc(F)c1-n2c3c(cn2)cc(c(O)n3)Br
+Fc1cccc(F)c1C(=O)CBr
+Fc1cccc(F)c1C(=O)O
+Fc1cccc(F)c1C=O
+Fc1cccc(F)c1CBr
+Fc1cccc(F)c1CCO
+Fc1cccc(F)c1COc2[n+](cccc2)N
+Fc1cccc(F)c1CS(=O)(=O)N
+Fc1cccc(F)c1N2C(C=Cc3c(Cl)nc(SC)nc23)=O
+Fc1cccc(F)c1S(=O)(=O)Cl
+Fc1ccccc1CC(O)=O
+Fc1cn(cc1F)-c2cc(c(cc2)NN=C(C(=O)COC)C(=O)OC)OCc3ccccc3
+Fc1cncc(F)c1
+Fc1cncc(F)c1NC(=O)c2c(cccc2Cl)[N+](=O)[O-]
+Fc1cncc(F)c1NC(c2c(cccc2Cl)F)=O
+Fc1nccc(C)c1
+I
+ICI
+II
+I[Cu]I
+I[Mg]C
+Ic1[nH]cnc1
+Ic1c(Br)cnc(Cl)c1
+Ic1c(CBr)cnc(F)c1
+Ic1c(Cl)cnc(F)c1
+Ic1c(Cl)ncc(C(=O)O)c1
+Ic1c(Cl)nccc1
+Ic1c(F)cnc(Cl)c1
+Ic1c(O)cnc(Cl)c1
+Ic1c(O)ncc(C(=O)O)c1
+Ic1c(O)ncc(c1)[N+](=O)[O-]
+Ic1c(c(ccc1)C(=O)O)C
+Ic1c(c2CNC3C(n2n1)COC3)C(=O)OCC
+Ic1c(ccnc1)C(=O)OC
+Ic1c2CCCNc2ncc1
+Ic1c2c([nH]c1)c(Cl)ccn2
+Ic1c2c([nH]cc2)ncn1
+Ic1c2c(n(C3CCNC3)n1)ncnc2N
+Ic1c2c(n(C3COCCNC3)n1)ncnc2N
+Ic1c2c(n(CC)n1)ncnc2N
+Ic1cc(c(Cl)nc1)[N+](=O)[O-]
+Ic1cc2nccc(Cl)c2s1
+Ic1ccc(cc1F)C#N
+Ic1cccnc1
+Ic1cccs1
+Ic1ccnc(Cl)c1
+Ic1ccnc(Cl)c1Br
+Ic1ccnc(Cl)c1C=O
+Ic1ccnc(F)c1
+Ic1ccnc(F)c1C
+Ic1ccnc(F)c1C=O
+Ic1ccnc(F)c1Cl
+Ic1ccnc(O)c1
+Ic1ccnc(SC)n1
+Ic1ccnc(c1)NN
+Ic1ccnc2n[nH]cc12
+Ic1ccnn1C
+Ic1cn[nH]c1
+Ic1n[nH]c2ncnc(N)c12
+Ic1nc(c(Cl)cc1O)Cl
+Ic1nn(cc1-c2nc(SC)ncc2)C3CCCCO3
+N
+N#C
+N#CB
+N#CBr
+N#CC
+N#CC(=C)Cl
+N#CC(C#N)=C(C)c1cc2ccc(N(CCO)C)cc2cc1
+N#CC(C#N)=C1C(C#N)=C(c2ccc(cc2)F)C(C)(C)O1
+N#CC(C#N)=COCC
+N#CC(C#N)C(=O)c1ccc(cc1)I
+N#CC(N)C(=O)N
+N#CC1C(CO)C1
+N#CC1CCCN1
+N#CC1CCCN1C(=O)CBr
+N#CC1CCCN1C(CCl)=O
+N#CC1CCCNC1
+N#CC=C
+N#CC=CC
+N#CCBr
+N#CCC(=O)C
+N#CCC(=O)Cl
+N#CCC(=O)N
+N#CCC(=O)NC
+N#CCC(=O)NN
+N#CCC(=O)O
+N#CCC(=O)OC
+N#CCC(N)=S
+N#CCC(c1cccnc1)=O
+N#CCCC(Cl)=O
+N#CCCCCBr
+N#CCCCC[Zn+]
+N#CCCl
+N#CCI
+N#CCN
+N#CCN(C)CCCOC
+N#CCNC(C(N)Cc1nccs1)=O
+N#CCc1cccnc1
+N#CCc1ccco1
+N#CN
+N#CSc1c(cnc(Cl)n1)[N+](=O)[O-]
+N#Cc1c(Br)cc(F)cn1
+N#Cc1c(Br)cc(O)nc1
+N#Cc1c(Br)cc(cc1)-n2c3nccc(-c4cc5c(nc4)cccc5)c3c(C)c2
+N#Cc1c(Br)cccn1
+N#Cc1c(Br)ccs1
+N#Cc1c(C#N)nc(Cl)c(n1)Cl
+N#Cc1c(Cl)[nH]c(-c2ccc(c(c2)Cl)Cl)c1
+N#Cc1c(Cl)ncc(Br)c1
+N#Cc1c(Cl)nccc1
+N#Cc1c(F)cccn1
+N#Cc1c(O)cccc1
+N#Cc1c(O)ccnc1
+N#Cc1c(O)nc(SC)nc1
+N#Cc1c(c(ccc1)C(=O)O)C
+N#Cc1c(cccc1)CBr
+N#Cc1c(cccc1)CCl
+N#Cc1c(cccc1)Cl
+N#Cc1c(cccc1)F
+N#Cc1c(n[nH]c1)C
+N#Cc1c2c(N)ncnc2n(c1)C3OC(CO)C(C3O)O
+N#Cc1c2c(ccs2)c(O)nc1
+N#Cc1c2c(n[nH]1)cccc2
+N#Cc1c2cccc(c2ccc1)OC
+N#Cc1cc(Br)c2c(CC(C)O2)c1Cl
+N#Cc1cc(C(=O)O)[nH]c1
+N#Cc1cc(c(c(c1F)Br)F)F
+N#Cc1cc(cnc1N)C#N
+N#Cc1cc2c(c(Cl)n1)cccc2
+N#Cc1cc2c(cccc2)c(c1OC)C(O)=O
+N#Cc1ccc(O)c(F)c1F
+N#Cc1ccc([N+]([O-])=O)cc1[N+]([O-])=O
+N#Cc1ccc(c(C#N)c1C)SC#N
+N#Cc1ccc(nc1)NC(c2nccnc2C(O)=O)=O
+N#Cc1ccc2cc([N+]([O-])=O)cc(-c3c4ccccc4ccc3)c2n1
+N#Cc1ccc[nH]1
+N#Cc1cccc2-c3c(CCCc12)cccc3
+N#Cc1cccc2c1ccc(NCc3c(cccc3)OC)n2
+N#Cc1ccccc1Br
+N#Cc1ccccc1C
+N#Cc1ccccc1CCO
+N#Cc1cccn1C
+N#Cc1cccnc1F
+N#Cc1cccnc1O
+N#Cc1ccnc(C)c1
+N#Cc1ccnc(Cl)c1
+N#Cc1ccnc(F)c1
+N#Cc1ccsc1I
+N#Cc1cnc2c(c1Cl)cc([N+]([O-])=O)cn2
+N#Cc1cnc2c(cc(I)s2)c1Cl
+N#Cc1cnn2c(ccc2)c1Cl
+N#Cc1csc(C)n1
+N#Cc1ncc(O)cc1Cl
+N#Cc1nccc(Br)c1
+N#Cc1nccc(Cl)c1
+N#[C-].N#[C-].[Cu+2]
+N#[C-].N#[C-].[Zn+2]
+N(=C(C(=O)O)c1csc(NC=O)n1)OCCBr
+N(=C(C(OCC)=O)c1csc(N)n1)OCCBr
+N(=C=O)CCCCC
+N(=C=O)CCCCC1SCC2NC(=O)NC12
+N(=C=O)c1ccccc1Oc2n(nc(c2)C)-c3c(Cl)cccc3
+N(=C=S)c1c(Cl)c(F)ccc1
+N(=C=S)c1cc(F)ccc1
+N(=C=S)c1cc(c(cc1Cl)F)C#N
+N(=Cc1cccc(F)c1)OC
+N(=Nc1c([N+]([O-])=O)cccc1)c2c(O)ccc(CCO)c2
+N(=[N+]=[N-])CC(=O)OC
+N(=[N+]=[N-])CC(OCC)=O
+N(=[N+]=[N-])CC1OC1
+N(=[N+]=[N-])CCC(C(=O)OC)N
+N(=[N+]=[N-])CCN
+N(Br)C(CCC(N)=O)=O
+N(C(=N)SC)c1cc(c(cc1)-n2c(ncn2)C)F
+N(C(=O)C=NO)c1c(C)cccc1
+N(C(=O)OCC)C(C(C(OCC)=O)=COCC)=O
+N(C(=O)OCc1cc2c(OCO2)cc1)C3=NC(=O)N(CC(=O)OCC)C=C3
+N(C(=S)Nc1ccc(cc1C)C(=O)N)c2c(NCCCO)c(C(=O)OC)ccc2Cl
+N(C(C)=O)c1c([N+]([O-])=O)cc(cc1C)O
+N(C(Cl)=O)=C=O
+N(C(c1ncnc(C(OC)=O)c1)=O)Cc2cc(c(cc2)F)C
+N(C)C(COc1cc(C#N)ccc1CN)=O
+N(C)C(COc1cccc(C)c1C)C
+N(C)CC(c1c[nH]c2c1cccc2)O
+N(C)c1cc2c[nH]nc2cc1
+N(C)c1cccc(C)c1
+N(C)c1cccc(OC)c1
+N(C)c1cccc(c1)O
+N(C1c2c(CCC1)cccn2)Cc3nc4cccc(F)n4c3
+N(C=O)c1scc(C(=O)C(O)=O)n1
+N(C=O)c1scc(C(C(O)=O)=NOCC(OCC)=O)n1
+N(CCCO)c1c(N)c(Cl)ccc1C(=O)OC
+N(CCCOC)c1c([N+]([O-])=O)cccc1C(=O)OC
+N(CCNCC)CC
+N(CCOCCOCCOCCN=[N+]=[N-])=[N+]=[N-]
+N(N=CC(=O)C)C
+N(O)=C(N)OCCOC
+N(O)C(=N)c1ccc(cc1OC)O
+N(O)C(=O)C
+N(O)C(c1cc(C)c(N)c(Cl)c1)=N
+N(O)C(c1cc(F)c(C(=O)OC)cc1)=N
+N(O)C(c1cc(c(c(C)c1)O)CC)=N
+N(O)C(c1cccc(CO)c1)=N
+N(O)C(c1nccnc1)=N
+N(OC)C
+N(c1c(C(=O)OC)ccc([N+]([O-])=O)c1)=C=S
+N(c1c(c2c(snn2)cc1C(OC)=O)F)c3ccccc3F
+N(c1c(cc2c(nc(O)c(n2)O)c1[N+](=O)[O-])Cl)C(=O)OCC
+N(c1c(cccc1)OCC)=C=O
+N(c1c(cccc1)[N+]([O-])=O)N
+N(c1c(cccc1C)C(=O)C)C(C)=O
+N(c1cccc2NC(Oc12)=O)C=3C(C(=O)C=3OCC)=O
+N1(C(=CC(=O)NC1=O)Cl)CCCC
+N1(C(=O)C(NC1=S)(c2cc(ccc2)OC)c3cc(c(cc3)F)Br)C
+N1(C(=O)C)c2cc(C)cc(C)c2C(C1)CCOC(C)=O
+N1(C(=O)C=C(C=C1C)OCc2ccc(cc2CN)F)c3c(C)ccc(c3)C(=O)OC
+N1(C(=O)C=C(C=C1C)OCc2ccc(cc2F)F)c3c(C)ccc(c3)C(=O)OC
+N1(C(=O)C=C(C=C1C)OCc2ccc(cc2F)F)c3c(C)cnc(c3)C(=O)OC
+N1(C(=O)NC(N(Br)C1=O)=O)Br
+N1(C(C(OC)=O)Cc2ccccc12)c3ccc(Cl)nn3
+N1(C(C)=CC(O)=CC1=O)CC(=O)O
+N1(C(C2(c3c(ccnc3)OC2)c4ccccc14)=O)CCCCC
+N1(C(C2=C(C(Br)=C1)CCCC2)=O)C
+N1(C(CCC1CO)=O)CCCCCl
+N1(C(CNC(C)C1)C)c2cc(Cl)c(cc2)C#N
+N1(C)CCc2ccc(cc2N(CC1)N)F
+N1(C=CC=C(C1=O)C(=O)O)Cc2ccc(F)c(F)c2
+N1(CC(F)CC1C(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(=O)Cn4c5CCCCc5c(n4)C(=O)OCC
+N1(CC(c2ccco2)OC1=O)C
+N1(CC2C(CCOC2=O)C1)CCCCl
+N1(CC=C(C)c2cccc(CO)c12)C
+N1(CCC(C1=O)N)C
+N1(CCCC1=O)C
+N1(CCCc2ccc(C(=O)OC)c(N)c12)C
+N1(CCN(C(=O)C1C)CCCO)C(C=Cc2cc(Cl)c(F)cc2)=O
+N1(CCNC1=O)C
+N1(CCNCC1=O)C
+N1(CCNCCC1)C
+N1(CCc2c(CC1)ccc(N)c2)CCOC
+N1(N=C(C(=O)c2cccnc12)C(=O)OCC)c3cccc(c3)Br
+N1(c2[nH]cnc2C(NC1=O)=O)C
+N1(c2c(C(=O)N(c3ccc(nc13)F)C)cc(Br)cn2)CC
+N1(c2c(C)ccc(c2)C(=O)OC)C=C(Br)N=C(Br)C1=O
+N1(c2c(Cl)cccc2)N=C(NC1=O)CCCC
+N1(c2c(OCC1=O)cccc2)C
+N1(c2c(cccc2)F)C(C=C(C)N1)=O
+N1(c2c(csc2)C(Nc3ccccc13)=O)C
+N1(c2ncc(cc2C(Nc3c1nc(cc3C)Cl)=O)Br)CC
+N1(c2ncccc2N(C(c3cc(CCO)cnc13)=O)C)CC
+N12C(C)Cc3c(c(cc(C(C(=C1)C(=O)O)=O)c23)F)F
+N12C(CNCc3c1c(ccc3)C(CO)CC2)C
+N12CCCC(C1=NC(C)=C(C2=O)CCCl)O
+N12CCCC1=C(C(Cl)=CC2=O)C(=O)OC
+N12N=C(c3cc([N+]([O-])=O)ccc3)C(=CC1=NNC2=O)C
+N1=C(C=C2N(CCCN2C1=O)C)Cl
+N1=C(Cl)C=C2c3ccc(OC)cc3CCN2C1=O
+N1=CN(c2sc(c(C)n2)C(OCC)=O)C(N1)=O
+N1=NN(c2c(c(C)ccc2)CBr)C(=O)N1C
+N1=NN(c2cccc(OC)c2C)C(=O)N1C
+N1C(=O)C(C(NC1=O)=O)=O
+N1C(=O)C(C)N2C(=N1)COc3cc(ccc23)Br
+N1C(=O)CN2c3c1cccc3C4CN(C(=O)OCC)CCC24
+N1C(=O)Cc2c1cccc2Br
+N1C(=O)Cc2c1cccc2CCO
+N1C(=O)N2C(C=CC(Br)=C2C)=N1
+N1C(=O)c2ccccc2SCC1
+N1C(=S)N2C(C=CC(=N2)c3cnn(C)c3)=N1
+N1C(=S)NC(=CC1=O)C
+N1C(=S)SCC1=O
+N1C(C(OC)=O)CNCC1
+N1C(C)CCCC(C)C1
+N1C(C)CCCC1
+N1C(C)CNCC1
+N1C(C=C(C)N1)=O
+N1C(N2C=C(Br)C=CC2=N1)=O
+N1C(NC(CCC)=CC1=O)=S
+N1C(SCC1=S)=O
+N1C(SCC1C(O)=O)c2ccccc2O
+N1C(c2ncccc2)(C(=O)N)COc3cccc(c13)[N+]([O-])=O
+N1C2=C(CCC2OC)C(NC1=S)=O
+N1CC(=O)NCCC1
+N1CC(CC(C(=O)O)C1)O
+N1CC(F)C(c2c3cc([N+]([O-])=O)ccc3[nH]c2)=CC1
+N1CC2(CC1)CN(C)CCC2
+N1CC2(CC1)CN(CC)CC2
+N1CC2CCCNC2C1
+N1CCC(c2c(OC)cccc2)C1
+N1CCC(c2c1cccc2)C(OC)=O
+N1CCCCC(N)C1=O
+N1CCCCC1c2c(cc(c(C)c2)N)C
+N1CCN(CC1C)c2cccc3cc(C#N)ccc23
+N1CCN(Cc2cc(ccc2)Br)CC1C
+N1CCN(c2c3c(cc(c2)F)nc(C)cc3)CC1C
+N1CCN(c2c3c(ccnc3)c(Cl)nn2)CC1C
+N1CCNC1=N
+N1CCNCC2(CC2)C1
+N1Cc2c([nH]c3c(C)ccc(c23)F)CC1
+N1Cc2c(c3cc(OC)ccc3[nH]2)CC1
+N1Cc2c(ccc(c2)O)CC1
+N1Cc2cc(nnc2CC1)Cl
+N1Cc2ccc(Cl)nc2CC1
+N1Cc2ccc(O)nc2CC1
+N1Cc2ccc(cc2CC1)C(C)NC(C)=O
+N1Cc2n(nc(-c3cc(Cl)c(F)cc3)c2C(=O)N)CC1
+N1Cc2n(nc(-c3cc(F)ccc3)c2)CC1
+N1N=C(N(C1=S)C)CCCCO
+N1N=C(N(C1=S)C)c2c3c(nc(C)cc3)ccc2
+N1N=C(N(C1=S)C)c2sc(C)nc2C
+N1N=NC(=O)N1c2c(Cl)cccc2
+N1NC(=O)c2cccc(F)c12
+N1c2c(CCCC1=O)c(F)ccc2
+N1c2c(OC1=O)cc(cc2C)O
+N1c2c(SCC1=O)cc(Cl)c(C(=O)O)n2
+N1c2c(SCC1=O)ccc([N+]([O-])=O)c2
+N1c2c(ccc(O)c2)CCC1=O
+N1c2c(cccc2)Nc3sc(C)cc3C1=N
+N1c2c(cccc2Cl)C(=O)OC1=O
+N1c2cc(C(=O)C)c(cc2NC1=S)C
+N1c2cc(C(=O)O)ccc2SCC1=O
+N1c2cc(Cl)c(Br)nc2CC1=O
+N1c2cc(ccc2CCC1=O)F
+N1c2ccccc2C(CCCC1=O)=O
+N1c2ccccc2NC1=S
+N1c2ccccc2NCCC1=O
+N1c2cnc(Cl)nc2N(CCC1=O)CCOC
+N1c2cnc3c(cc[nH]3)c2N(C4C(C)CCNC4)C1=O
+N=1C(Cl)=C(C(N2C=1C=CC=C2)=O)Br
+N=1N(C)C(CC=1)=O
+N=1N(CC)C(CC=1)=O
+N=1N(c2nccc(C#N)c2)C(CC=1)=O
+N=1NC(=O)N(c2c(C)c([N+]([O-])=O)ccc2)N=1
+N=C(C(OCC)=O)NO
+N=C(C1OCCC1)N
+N=C(CCC)NO
+N=C(CCCC)N
+N=C(CCOC)NO
+N=C(CCOCC)NO
+N=C(N)C
+N=C(N)CC
+N=C(N)NN
+N=C(N)c1c(F)cccn1
+N=C(N)c1cnc(cc1)Cl
+N=C(NO)C
+N=C(NO)COC
+N=C(Nc1cc([N+]([O-])=O)c(C)cc1)N
+N=C(OCC)CC#N
+N=C(OCC)NO
+N=C(OCC)c1ccc(OC)cc1OCC
+N=C(SC)N
+N=C(SC)Nc1cc(F)c(cc1)-n2c(C)nc(n2)C
+N=C(c1cccnc1)NO
+N=C(c1ccco1)N
+N=C(c1cccs1)SC
+N=C(c1nccnc1)N
+N=C=O
+N=C=S
+N=CN
+NC
+NC(=O)C1C2CC(C1N)C=C2
+NC(=O)c1c(cc(OC)cc1OC)N
+NC(=O)c1c(cccc1)Cl
+NC(=O)c1c(cccc1)NC(=O)c2ccnnc2
+NC(=O)c1c(sc2c1CCCC2)N
+NC(=O)c1ccccc1[N+]([O-])=O
+NC(=S)Nc1cccc(OC)c1
+NC(=S)Nc1nccnc1
+NC(C(=O)O)CCCC(=O)O
+NC(C(OC)=O)CCCCN
+NC(C(OC)=O)CNC(c1sccc1)=O
+NC(C)=S
+NC(C)CN
+NC(C)CSC
+NC(CC(N)=O)C(=O)O
+NC(CCC(OC)=O)C(=O)O
+NC(CO)C
+NC(N)=N
+NC(N)=N[N+](=O)[O-]
+NC(N)=Nc1c(C)ccc([N+]([O-])=O)c1
+NC(N)=Nc1cc(ccc1)C(=O)OCC
+NC(N)=Nc1cc(ccc1)[N+](=O)[O-]
+NC(N)=Nc1cccc(CCO)c1
+NC(N)=Nc1scc(-c2nc(C(=O)OC)ccc2)n1
+NC(N)=O
+NC(N)=S
+NC(NC)=S
+NC([PH](=O)O)C
+NC(c1c([nH]c(-c2cc3c(cccc3)cc2)c1)N)=O
+NC(c1c(c(c(C)c(c1)[N+]([O-])=O)[N+](=O)[O-])N)=O
+NC1(c2cc([N+]([O-])=O)ccc2)CC1CO
+NC1CC(C(=O)O)CC1
+NC1CC(O)CC1
+NC1CCCC1O
+NC1CCCCC1C(=O)O
+NC1CCN(c2c3nncn3ccn2)C1
+NC1CCc2cc(OC)ccc2C1
+NC1CCc2cc(ccc2C1)F
+NC1CCc2ccc(cc2C1)O
+NC1Cc2c(OC1)cccc2OC
+NC=1C(=O)N(C(N(C=1N)CCC)=O)CCC
+NC=1C(I)=CN(C2OC(CO)C(C2)O)C(N=1)=O
+NC=1N(C(NC(=O)C=1)=O)C
+NC=1N(CCCC)C(NC(=O)C=1)=O
+NC=1N(CCCCC)C(NC(=O)C=1)=O
+NC=1NCCCN=1
+NC=1SC(=S)NN=1
+NC=1SCC(N=1)=O
+NCCCCN
+NCCCN
+NCCN
+NCCOc1c(cccc1)OCC
+NCCSSCCN
+NCCc1ccc(c(c1)OC)OC
+NCc1c(Cl)cccc1
+NCc1c(F)cccc1
+NCc1c([N+]([O-])=O)cccc1
+NCc1c2c(cccc2)sc1
+NCc1cccc2ccccc12
+NCc1ccccc1Br
+NCc1ccccc1O
+NCc1ccnc2ccccc12
+NN
+NNC
+NNC(=O)C
+NNC(=O)Cc1ccc(c(Cl)c1)O
+NNC(=O)N
+NNC(=O)c1cc(cnc1)Br
+NNC(=O)c1ccc(cn1)F
+NNC(CCCCCC)=O
+NNC(N)=S
+NNC(NC)=S
+NNC(c1ccc(C(=O)OC)c(c1)O)=O
+NNC(c1ccc2occc2c1)=O
+NNc1cccnc1
+NS(N)(=O)=O
+Nc1[n+](N)ccc(Br)c1
+Nc1[nH]ccn1
+Nc1c(Br)cc(F)cn1
+Nc1c(Br)cc(cc1[N+]([O-])=O)Br
+Nc1c(Br)cccn1
+Nc1c(Br)cnc(Cl)c1
+Nc1c(C#N)c(F)ccc1
+Nc1c(C#N)cnc(Cl)n1
+Nc1c(C(=O)C)cc(c(C)c1)Br
+Nc1c(C(=O)N)c[nH]n1
+Nc1c(C(=O)N)cc(cc1C)Br
+Nc1c(C(=O)N)cncn1
+Nc1c(C(=O)O)cc(Br)cn1
+Nc1c(C(=O)O)cnc(SC)n1
+Nc1c(C(=O)O)ncc(Br)c1
+Nc1c(C(=O)OC)c[nH]n1
+Nc1c(C(=O)OC)cc(C#N)cc1
+Nc1c(C(=O)OC)cc(C)cc1
+Nc1c(C(N)=S)cncn1
+Nc1c(C(Nc2ccc(C)cc2C)=O)cc([N+]([O-])=O)cc1
+Nc1c(C(Nc2cccc(c2C)Br)=O)ccc(OC)c1
+Nc1c(C(c2ccco2)=O)c[nH]n1
+Nc1c(C(c2cccs2)=O)c[nH]n1
+Nc1c(C)c(c(cc1)C#N)Cl
+Nc1c(C)cc(cc1[N+]([O-])=O)Br
+Nc1c(C)ccc(C#N)c1
+Nc1c(C)ccc(C(=O)O)c1
+Nc1c(C)ccc(C(NC)=O)c1
+Nc1c(C)ccc(CO)c1
+Nc1c(C)ccc(F)c1
+Nc1c(C)ccc([N+]([O-])=O)c1
+Nc1c(C)ccc(c1)O
+Nc1c(C)ccc2c1ccc(Cl)n2
+Nc1c(C)cccc1C(=O)O
+Nc1c(C)cccc1Cl
+Nc1c(C)cccc1O
+Nc1c(C)cccc1Oc2c(F)cccc2
+Nc1c(C=O)cnc(SC)n1
+Nc1c(C=O)cncc1
+Nc1c(CO)cc(Br)cn1
+Nc1c(Cl)cc(C#N)cc1
+Nc1c(Cl)cc(C)cc1
+Nc1c(Cl)cc(cc1)C(=O)OC
+Nc1c(Cl)cc(cc1)CC(OC)=O
+Nc1c(Cl)cc(cc1)F
+Nc1c(Cl)cc(cc1)O
+Nc1c(Cl)cc(cc1)Oc2c3cc(C#N)c(O)cc3ncc2
+Nc1c(Cl)cc(cc1C(=O)O)I
+Nc1c(Cl)ccc(C(=O)O)c1
+Nc1c(Cl)ccc(F)c1
+Nc1c(Cl)ccc([N+]([O-])=O)c1
+Nc1c(Cl)ccc(c1)C(=O)OC
+Nc1c(Cl)cccc1C(=O)OC
+Nc1c(Cl)nc(C)cn1
+Nc1c(Cl)nc(Cl)nc1
+Nc1c(Cl)ncc(Br)c1
+Nc1c(Cl)ncc(NC(=O)c2ccnn2C)n1
+Nc1c(F)c(c(Cl)cc1)Cl
+Nc1c(F)cc(C)cc1
+Nc1c(F)cc([N+]([O-])=O)cc1
+Nc1c(F)cc(cc1)C=C
+Nc1c(F)cc(cc1)O
+Nc1c(F)ccc(F)c1
+Nc1c(F)ccc([N+]([O-])=O)c1
+Nc1c(F)cccn1
+Nc1c(F)cnc(Cl)c1
+Nc1c(F)ncc(Br)c1
+Nc1c(I)cc(I)c(c1I)CC(CC)C(O)=O
+Nc1c(I)ccc(F)c1
+Nc1c(N)c(Cl)c(cc1)Br
+Nc1c(N)c(Cl)ncc1
+Nc1c(N)c(cc([N+]([O-])=O)c1)Br
+Nc1c(N)c(cc([N+]([O-])=O)c1)OC
+Nc1c(N)c2c(cc1)nnn2C
+Nc1c(N)cc(c(Cl)c1)Cl
+Nc1c(N)nc(Cl)nc1
+Nc1c(O)c(F)ccn1
+Nc1c(O)c(ccc1)-c2ccc(C(=O)O)o2
+Nc1c(O)cccn1
+Nc1c(O)ccnc1
+Nc1c(O)cncc1
+Nc1c(OC)c(F)ccc1
+Nc1c(OC)cc(OC)cc1
+Nc1c(OC)cc(c(F)c1)C(=O)O
+Nc1c([N+]([O-])=O)cc(C)c(Cl)c1
+Nc1c([N+]([O-])=O)cc2c(ncnc2c1)O
+Nc1c(c(C)cc(c1)Br)NC(=O)CCC
+Nc1c(c(Cl)ncc1)C(=O)OC
+Nc1c(c(F)ccc1)N
+Nc1c(c(N2CCC(N)C(C2)O)cc(C#N)c1)Cl
+Nc1c(c(OC)c(F)cc1)F
+Nc1c(c(c(cc1)Br)F)[N+]([O-])=O
+Nc1c(c(c(cc1)C(=O)O)C)[N+]([O-])=O
+Nc1c(c(cc(C(=O)O)c1)O)I
+Nc1c(c(ccc1)C(=O)O)Br
+Nc1c(c(ccc1)O)C
+Nc1c(c2OCC3CC3c2cc1)C(=O)OC
+Nc1c(c2cc[nH]c2cc1)C
+Nc1c(cc(Br)c(Cl)c1)OC
+Nc1c(cc(Br)cn1)C=O
+Nc1c(cc(C(=O)O)cc1)F
+Nc1c(cc(C(=O)O)cc1)OC
+Nc1c(cc(OC)cc1)C(=O)O
+Nc1c(cc([N+]([O-])=O)cc1)C(=O)N
+Nc1c(cc([N+]([O-])=O)cc1)C(=O)O
+Nc1c(cc([N+]([O-])=O)cc1)OC
+Nc1c(cc(c(C)c1)Br)OC
+Nc1c(cc(c(F)c1)C#N)[N+]([O-])=O
+Nc1c(cc(c(c1C)C(=O)OC)C(=O)O)[N+]([O-])=O
+Nc1c(cc(cc1)C(=O)OC)OC
+Nc1c(cc(cc1)F)C(=O)N
+Nc1c(cc(cc1)F)C(=O)O
+Nc1c(cc(cc1)F)OC
+Nc1c(cc(cc1C)I)C(=O)O
+Nc1c(ccc(F)c1)Br
+Nc1c(ccc(F)c1)C(=O)O
+Nc1c(ccc(F)c1)[N+]([O-])=O
+Nc1c(ccc(F)c1F)O
+Nc1c(ccc(OC)c1)CCNC
+Nc1c(ccc([N+]([O-])=O)c1)Br
+Nc1c(ccc([N+]([O-])=O)c1)C(=O)O
+Nc1c(ccc([N+]([O-])=O)c1)C(NC)=O
+Nc1c(ccc([N+]([O-])=O)c1)O
+Nc1c(cccc1Cl)C(=O)O
+Nc1c(cccn1)-c2cc3CCNC(c3s2)=O
+Nc1c(cccn1)C(=O)N
+Nc1c(cccn1)C(=O)O
+Nc1c(cccn1)C=O
+Nc1c(nc(C)cc1)Br
+Nc1c(nc(cc1)Cl)C#N
+Nc1c(nc(nc1Cl)C)N
+Nc1c(ncc(F)c1)C(=O)OC
+Nc1c(ncc([N+]([O-])=O)c1)N
+Nc1c(ncnc1NC)Cl
+Nc1c2CCOc2c(C(=O)O)cc1Cl
+Nc1c2c(ccc(O)c2)ccc1
+Nc1c2c(ccc1Cl)nc(cc2)Cl
+Nc1c2c(cccc2)on1
+Nc1c2cc(C)ncc2ccc1
+Nc1c2cccc(F)c2ncc1
+Nc1c2ccncc2ccc1
+Nc1cc(-c2c(nc3ccc(nn23)Cl)-c4cc(c(cc4)F)C)ccn1
+Nc1cc(-c2nnnn2C)cc(CC)c1
+Nc1cc(Br)ccc1N
+Nc1cc(Br)cnc1N
+Nc1cc(Br)sc1C(=O)OC
+Nc1cc(C(=O)O)ccc1F
+Nc1cc(C(=O)OC)c(Cl)cc1
+Nc1cc(C(=O)OC)c(cc1)Br
+Nc1cc(C)c(Cl)cc1
+Nc1cc(C)c(cc1)Br
+Nc1cc(C)c(cc1)O
+Nc1cc(C)c(cc1)[N+]([O-])=O
+Nc1cc(C)cc(CO)c1
+Nc1cc(C)cc(c1)Br
+Nc1cc(C)ccc1C(=O)OC
+Nc1cc(C)ccc1F
+Nc1cc(C)ccc1O
+Nc1cc(C)ccc1[N+]([O-])=O
+Nc1cc(C)no1
+Nc1cc(C)ns1
+Nc1cc(C)on1
+Nc1cc(Cl)nc(C#N)c1[N+](=O)[O-]
+Nc1cc(Cl)nc(Cl)c1C(=O)N
+Nc1cc(Cl)nc(Cl)c1[N+]([O-])=O
+Nc1cc(Cl)ncc1NC
+Nc1cc(Cl)ncc1[N+](=O)[O-]
+Nc1cc(F)c(c(Cl)c1)F
+Nc1cc(F)ccc1N
+Nc1cc(I)c(cc1Br)Cl
+Nc1cc(O)c(cc1)C(=O)O
+Nc1cc(OC)c(Cl)cc1
+Nc1cc(OC)c(cc1)C#N
+Nc1cc(OC)c(cc1Cl)C(=O)O
+Nc1cc(OC)cc2c(ccnc12)C
+Nc1cc(OC)ccc1Br
+Nc1cc(OC)ccc1C(=O)O
+Nc1cc(OC)ccc1Cl
+Nc1cc([N+]([O-])=O)c(C)cc1
+Nc1cc([N+]([O-])=O)c(Cl)cc1
+Nc1cc([N+]([O-])=O)c(cc1)Br
+Nc1cc(c(Br)cc1OC)OC
+Nc1cc(c(C(=O)OC)cc1)OC
+Nc1cc(c(C)cc1)C#N
+Nc1cc(c(C)cc1)C(=O)O
+Nc1cc(c(C)cc1)F
+Nc1cc(c(C)cc1)O
+Nc1cc(c(Cl)cc1)C(=O)O
+Nc1cc(c(Cl)cc1)F
+Nc1cc(c(Cl)cc1)O
+Nc1cc(c(F)cc1)C#N
+Nc1cc(c(F)cc1)C(=O)C
+Nc1cc(c(cc1)Br)C#N
+Nc1cc(c(cc1)Br)C(=O)O
+Nc1cc(c(cc1)CC(=O)O)F
+Nc1cc(c(cc1)CC)O
+Nc1cc(c(cc1)O)C(=O)O
+Nc1cc(c(cc1)O)F
+Nc1cc(c(cc1)[N+]([O-])=O)F
+Nc1cc(cc(C)c1)O
+Nc1cc(cc(F)c1O)Br
+Nc1cc(ccc1Cl)O
+Nc1cc(ccc1F)O
+Nc1cc(ccc1N)C#N
+Nc1cc(ccc1O)O
+Nc1cc(ccn1)Oc2ccc(NC)c([N+]([O-])=O)c2
+Nc1cc(ccn1)Oc2ccc3c(cc[nH]3)c2
+Nc1cc2CCC(N(c2cc1)C)=O
+Nc1cc2CCCC(C(=O)O)c2cc1
+Nc1cc2N(C(=O)C(COc2cc1)N)C
+Nc1cc2N(C(CCc2cc1)=O)C
+Nc1cc2c(Cl)n[nH]c2cc1
+Nc1cc2c(N(C(S2)=O)C)cc1
+Nc1cc2c([nH]nc2cc1)I
+Nc1cc2c(cc1)CCC2
+Nc1cc2c(cc1)cc[nH]2
+Nc1cc2c(cc1)ncs2
+Nc1cc2c(cc1F)C(C(CCCC)C2)=O
+Nc1cc2c(n[nH]c2)c(Cl)c1
+Nc1cc2c(nc(s2)Cl)cc1
+Nc1cc2c(ncnc2cc1)N
+Nc1cc2c[nH]nc2cc1
+Nc1cc2cccnc2cc1
+Nc1cc2cnn(C)c2cc1
+Nc1cc2n(C)ncc2cc1
+Nc1ccc(Br)c(Cl)c1
+Nc1ccc(Br)nc1C(=O)OC
+Nc1ccc(Br)nc1OC
+Nc1ccc(C#N)c(Cl)c1
+Nc1ccc(C#N)cc1[N+]([O-])=O
+Nc1ccc(C(=O)O)cc1[N+]([O-])=O
+Nc1ccc(C(=O)OC)c2CCOc12
+Nc1ccc(C(c2ccccc2C(O)=O)=O)cc1[N+]([O-])=O
+Nc1ccc(C)c(C(=O)O)c1C
+Nc1ccc(C)c(Cl)c1
+Nc1ccc(C)c(I)c1
+Nc1ccc(C)c([N+]([O-])=O)c1C
+Nc1ccc(C)cc1Br
+Nc1ccc(CC#N)cc1[N+]([O-])=O
+Nc1ccc(CC)cc1[N+]([O-])=O
+Nc1ccc(Cl)c(I)c1
+Nc1ccc(F)c(Br)c1
+Nc1ccc(F)c(Cl)c1
+Nc1ccc(I)c(Cl)c1
+Nc1ccc([N+]([O-])=O)cc1C#N
+Nc1ccc(c(-c2ccnn2C)c1)O
+Nc1ccc(c(CC)c1C)Br
+Nc1ccc(c(Cl)c1)C(=O)O
+Nc1ccc(c(F)c1O)F
+Nc1ccc(cc1C#N)F
+Nc1ccc(cc1[N+]([O-])=O)F
+Nc1ccc(cc1[N+]([O-])=O)O
+Nc1ccc2CC3(c4cccnc4NC3=O)Cc2c1
+Nc1ccc2c(OC(CO)CC2)c1N
+Nc1ccc2c(c1[N+](=O)[O-])cccc2
+Nc1ccc2c[nH]nc2c1C(=O)OC
+Nc1cccc(Br)c1C
+Nc1cccc(C(=O)C)c1O
+Nc1cccc(C(=O)OC)c1C
+Nc1cccc(C)c1C
+Nc1cccc(C)c1C(=O)O
+Nc1cccc(C)c1Cl
+Nc1cccc(Cl)c1C
+Nc1cccc(Cl)c1C(=O)O
+Nc1cccc(F)c1C
+Nc1cccc(F)c1CO
+Nc1cccc(F)c1Cl
+Nc1cccc(F)c1F
+Nc1cccc([N+]([O-])=O)c1C
+Nc1cccc(c1C(=O)C)OC
+Nc1cccc(c1C(=O)O)F
+Nc1cccc(c1C(=O)O)OC
+Nc1cccc(c1Cl)C(=O)O
+Nc1cccc(c1N)C(=O)N
+Nc1cccc(c1N)C(=O)O
+Nc1cccc(c1[N+]([O-])=O)OC
+Nc1cccc2NC(=O)C(O)Cc12
+Nc1cccc2NC(=O)Nc12
+Nc1cccc2c1ccc(Cl)n2
+Nc1cccc2c1ccn2C
+Nc1cccc2c1n(cn2)C
+Nc1cccc2ccccc12
+Nc1cccc2ncccc12
+Nc1cccnc1C(=O)O
+Nc1cccnc1N
+Nc1cccnc1O
+Nc1ccnc(Cl)c1[N+](=O)[O-]
+Nc1ccnc(Cl)n1
+Nc1ccnc(O)n1
+Nc1ccnc(S)n1
+Nc1ccncc1F
+Nc1ccncc1I
+Nc1ccncc1[N+](=O)[O-]
+Nc1ccncn1
+Nc1ccnn1C
+Nc1ccon1
+Nc1ccsc1C(=O)N
+Nc1ccsc1C(=O)OC
+Nc1cn(C)nc1
+Nc1cnc(C#N)c(C)n1
+Nc1cnc(C)c(Br)n1
+Nc1cnc(c(Cl)n1)Br
+Nc1n(C)ncc1Br
+Nc1n[nH]c(-c2ccco2)c1
+Nc1n[nH]c(C)c1
+Nc1n[nH]c(CC(=O)O)c1
+Nc1n[nH]cc1
+Nc1nc(C(=O)O)c(-c2cc(C)ccc2)s1
+Nc1nc(C(=O)O)c(-c2cc(F)ccc2)s1
+Nc1nc(C)cs1
+Nc1nc(CC(=O)O)cs1
+Nc1nc(CCl)cs1
+Nc1nc(Cl)cnc1Br
+Nc1nc(SC)cs1
+Nc1nc(nc(N)c1[N+](=O)[O-])Cl
+Nc1nc2CCCCc2s1
+Nc1nc2CCNCCc2s1
+Nc1ncc(Br)c(c1)C(=O)OC
+Nc1ncc(Br)cc1I
+Nc1ncc(Br)cc1[N+](=O)[O-]
+Nc1ncc(Br)nc1C#N
+Nc1ncc(C#N)s1
+Nc1ncc(C(=O)O)c(O)n1
+Nc1ncc(C)cc1[N+](=O)[O-]
+Nc1ncc(C)s1
+Nc1ncc(C=O)s1
+Nc1ncc(c(C)c1)C
+Nc1ncc(cc1[N+](=O)[O-])C(=O)N
+Nc1ncc(cc1[N+](=O)[O-])C(=O)OC
+Nc1nccc(Br)c1
+Nc1nccc(C#N)c1
+Nc1nccc(C(=O)C)c1
+Nc1nccc(C(=O)O)c1
+Nc1nccc(C)c1
+Nc1nccc(C)n1
+Nc1nccc(CBr)c1
+Nc1nccc(CO)c1
+Nc1nccc(Cl)c1
+Nc1nccc(Cl)n1
+Nc1nccc(F)c1
+Nc1nccc(O)c1
+Nc1nccc(c1)C(=O)OC
+Nc1ncccc1Cl
+Nc1ncccc1I
+Nc1ncccc1[N+](=O)[O-]
+Nc1nccs1
+Nc1ncn(C)c1
+Nc1onc(C)c1Br
+Nc1onc(C)c1Cl
+Nc1sc(Br)nn1
+Nc1sc(C)nn1
+Nc1sc(SC)nn1
+Nc1sc(c(C)n1)C(=O)CBr
+Nc1sc(nn1)CC
+Nc1sc(nn1)CC=C
+Nc1sc(nn1)CCl
+Nc1sc(nn1)CSCCN
+Nc1sc2CC(CCc2n1)CN
+Nc1sc2c(cccc2)n1
+Nc1sc2cc(C#N)cc(c2n1)-c3cc([N+]([O-])=O)ccc3
+Nc1sc2cc(C(=O)O)ccc2n1
+Nc1sc2cc(OC)ccc2n1
+Nc1sc2cc(S)ccc2n1
+Nc1sc2cc(ccc2n1)F
+Nc1sc2cc(ccc2n1)SC#N
+Nc1sc2cccc(OC)c2n1
+Nc1sc2cccc(c2n1)O
+O
+O(C(=O)C(C#N)=NNc1ccccc1Br)CC
+O(C(=O)C(C(OC)=O)c1c(cc(cc1)Br)[N+](=O)[O-])C
+O(C(=O)C(C(OCC)=O)(C)Cc1ccc(cc1)[N+]([O-])=O)CC
+O(C(=O)C(C(OCC)=O)c1cc(cc(F)c1)OCc2ccccc2)CC
+O(C(=O)C(C(OCC)=O)c1cc(ccc1[N+]([O-])=O)C)CC
+O(C(=O)C(C(OCC=C)=O)(CCc1ccc(cc1)C(=O)OC)CCC2(CC2)CC(=O)OCC)CC=C
+O(C(=O)C)C=C
+O(C(=O)C)C=O
+O(C(=O)C)Cc1cccc2c1nccc2
+O(C(=O)C1CCCCCC1N)C
+O(C(=O)CC(OCC)=N)CC
+O(C(=O)CCCCC(=O)O)C
+O(C(=O)CCCCC(Cl)=O)C
+O(C(=O)CCCCCCC1C(CCC1OC2CCCCO2)C=O)C
+O(C(=O)CCCCCCCN)C
+O(C(=O)CCCCCCN)C
+O(C(=O)CCc1cn[nH]c1OCC)CC
+O(C(=O)Cl)C(C)=C
+O(C(=O)Cl)C(Cl)C
+O(C(=O)Cl)C=C
+O(C(=O)Cl)CC=C
+O(C(=O)N1CCCC(C)C1CN)CC=C
+O(C(=O)c1nc2c([nH]1)cccc2)C
+O(C(C)=O)CC(O)c1cccc([N+]([O-])=O)c1
+O(C(C)=O)CC=CCNCC
+O(C(C)=O)CCc1c[nH]c2nc(SC)nc(O)c12
+O(C(C)=O)c1cc([N+]([O-])=O)ccc1NC(C)=O
+O(C(CCCCC(=O)O)=O)CC
+O(C(CCCCCCBr)=O)CC
+O(C(CCCCCNc1c2ccccc2ncc1[N+]([O-])=O)=O)CC
+O(C(CCCNc1c(cnc2ccccc12)N)=O)CC
+O(C(CCc1cc2ccccc2o1)=O)CC
+O(C(NC(CCSC)(Cc1cccc(C#N)c1)C(=O)OC)=O)C
+O(C(c1c(N)c(c(N)c(N)c1)Cl)=O)C
+O(C(c1c([N+](=O)[O-])cc(c(c1)OCC)OCC)=O)CC
+O(C)B(OC)OC
+O(C)C(=O)C(C(OC)=O)C(C)(C)c1oc(cc1)C
+O(C)C(=O)C(C(OC)=O)c1cc(Cl)cc(OCc2ccccc2)c1
+O(C)C(=O)c1cc(cc(C(OC)=O)c1)Cl
+O(C)C(=O)c1ccccc1N=C=O
+O(C)C(CCCCCCCCCCCCC)=O
+O(C)C(OC)(OC)C
+O(C)C(OC)(OC)CCCC
+O(C)C(OC)(OC)OC
+O(C)C(OC)(c1cc(OCC)c(OCC)cc1)CCC(O)=O
+O(C)C(OC)=O
+O(C)C(OC)C(=O)OC
+O(C)C(OC)C(C[N+]([O-])=O)SCc1ccccc1
+O(C)C(OC)C=O
+O(C)C(OC)CBr
+O(C)C(OC)CCCBr
+O(C)C(OC)CCn1cc(cn1)[N+](=O)[O-]
+O(C)C(OC)CCn1cc2c(cc([N+](=O)[O-])cc2)n1
+O(C)C(OC)CN1C=C(C(C(=C1C(NCc2cc(ccc2)Cl)=O)OCc3ccccc3)=O)C(OC)=O
+O(C)C(OC)CN=C1C(CCc2ccccc2N1)NC(OCc3ccccc3)=O
+O(C)C(OC)CNC
+O(C)C(OC)COc1c(ccc(C)c1)F
+O(C)C(OC)N(C)C
+O(C)C(OC)OC
+O(C)C(OC)c1ccc(cc1)CO
+O(C)C(OC)c1nc(S)ncc1
+O(C)C(OC)c1nc2NCCCc2cc1CN3CCN(C)CC3=O
+O(C)C(c1c2ncccc2ccc1)=O
+O(C)C(c1cccc(C(OC)=O)n1)=O
+O(C)C(c1ccccc1S)=O
+O(C)C(c1sc(C(=O)NN)cc1)=O
+O(C)C(c1sc(c(c1)C(N)=S)C)=S
+O(C)C1(OC)CCOCC1I
+O(C)C1CCNC1
+O(C)C=1C(N(C=C(Br)C=1)C)=O
+O(C)CCC1NCCNC1
+O(C)CCNCCOC
+O(C)CCOC(=O)Cl
+O(C)COC
+O(C)P(OC)(=O)C(=[N+]=[N-])C(=O)C
+O(C)P(OC)(=O)CC(=O)CCCCC
+O(C)P(OC)(CC(=O)CCCCc1nc2c(CCCN2)cc1)=O
+O(C)[SiH](OC)OC
+O(C)c1c(-c2[nH]c3ccccc3c2)nc(cc1)Cl
+O(C)c1c(Br)scc1C#N
+O(C)c1c(F)c(c(F)c(OC)c1)-c2ccc(C(=O)OCC)c3nccnc23
+O(C)c1c(F)cccc1
+O(C)c1c(NC(C)=O)cccc1
+O(C)c1c(O)ccnc1C
+O(C)c1c(OC)c(OC)cc([N+]([O-])=O)c1C=O
+O(C)c1c(OC)cc(c(c1)F)F
+O(C)c1c(OC)ccc(c1OC)C=O
+O(C)c1c(c(O)c2C(OCc2c1C)=O)CC=C(CO)C
+O(C)c1c(c(c(OC)c(OC)c1OC)C)Cc2c(O)cccc2
+O(C)c1c(ccc(F)c1)OC
+O(C)c1cc(C(=O)O)on1
+O(C)c1cc(cc(OC)c1)C=O
+O(C)c1cc(cc(OC)c1)O
+O(C)c1cc(cc(OC)c1O)C(C)=O
+O(C)c1cc(cc(OC)c1OC)C=O
+O(C)c1cc(cc(OC)c1OC)N
+O(C)c1cc(cc(OC)c1OC)NC(=O)Cc2cc(N)ccc2
+O(C)c1cc(cc(OC)c1OC)Nc2nnc(cn2)C(C)N
+O(C)c1cc2c(c(O)ncn2)c(OC)c1
+O(C)c1cc2c(c(OC)c1)C(C(N2)=O)=O
+O(C)c1cc2c(c(OC)c1)c(ncn2)Nc3cc(Cl)c(cc3)F
+O(C)c1cc2c(cc1OC)c(I)cn2C
+O(C)c1cccc(OC)c1CN
+O(C)c1cccc(OC)c1I
+O(C)c1ccccc1NN
+O(C)c1ccnc(CO)n1
+O(C)c1ccnc(Cl)n1
+O(C)c1nc(nc(OC)c1)N
+O(C)c1ncc(O)c(I)c1
+O(C)c1ncc(c(C(=O)O)c1)F
+O(C)c1ncc2C=CCc2c1
+O(C)c1ncc2[nH]c3c(cc(cn3)OC)c2c1
+O(C)c1nccc(C(=O)O)c1
+O(C)c1nccc(Cl)c1
+O(C)c1nccc(N)c1
+O(C1C(OC(C(C1OC(=O)C)OC(C)=O)OC(=O)C)COC(=O)C)C(=O)C
+O(C1CC2=NOCC2C(O)C1O)COC
+O(C=1C(C(C=1OCC)=O)=O)CC
+O(CC#C)c1c(C)cc(cc1OC)C(OCC#C)=O
+O(CC(=O)Cl)CC
+O(CC(=O)O)CCc1ccc2c(ccs2)c1
+O(CC(=O)O)c1cccnc1
+O(CC(C)F)c1ncccc1[N+](=O)[O-]
+O(CC(COC)OS(=O)(=O)C)C
+O(CC(N)(CN)C)C
+O(CC(N)C)C
+O(CC)C(=O)C(C(=O)C)=NOCC
+O(CC)C(=O)C(C(OCC)=O)CC(c1ccc(cc1)-c2ccc(cc2)[N+](=O)[O-])=O
+O(CC)C(=O)C(C)c1ncccc1
+O(CC)C(=O)C(CC)Br
+O(CC)C(=O)C(CC)C(C)=O
+O(CC)C(=O)C(CCC)Br
+O(CC)C(=O)C(CCCCC)c1cccc([N+]([O-])=O)c1
+O(CC)C(=O)C(Cc1ccc(nc1)N)c2c[nH]cn2
+O(CC)C(=O)C(n1ccc2ccc(cc12)O)C
+O(CC)C(=O)CC(CC(OCC)=O)=O
+O(CC)C(=O)c1cc(C(=O)OC)cc(-c2ccc(C)cc2C#N)c1
+O(CC)C(C(C(C)=O)CCCCCC)=O
+O(CC)C(C(C(C)=O)Cl)=O
+O(CC)C(C(C(C)CC)F)=O
+O(CC)C(C(C)C(=O)CC(=O)C)=O
+O(CC)C(C(C)C(C)=O)=O
+O(CC)C(C(C)c1cc(C)c(cc1)[N+]([O-])=O)=O
+O(CC)C(C(C)c1cc(Cl)c(cc1)[N+]([O-])=O)=O
+O(CC)C(C(C)c1ccc(nc1)Cl)=O
+O(CC)C(C(N)Cc1cc(ccc1)O)=O
+O(CC)C(C(N1C=CC=CC1=O)C)=O
+O(CC)C(C(O)c1cc(ccc1)O)=O
+O(CC)C(C(c1c(Br)cc(Br)s1)O)=O
+O(CC)C(C=CC=1C=CN(C(=O)C=1)CCCC)=O
+O(CC)C(C=Cc1cc(Br)c(F)cc1)=O
+O(CC)C(C=Cc1cc(c(Cl)cc1N)OC)=O
+O(CC)C(C=Cc1ccc(nc1)OC)=O
+O(CC)C(C=Cc1cccc([N+]([O-])=O)c1)=O
+O(CC)C(CCOCC)=O
+O(CC)C(CCn1c2ccccc2cc1C(NC(N)=S)=O)=O
+O(CC)C(OCC)(OCC)C
+O(CC)C(OCC)=O
+O(CC)C(OCC)CCN
+O(CC)C(OCC)COc1c(cc(cc1)[N+](=O)[O-])Cl
+O(CC)C(OCC)Cn1cnc(-c2cc3c(c(Oc4ccc(N)cc4F)ccn3)s2)c1
+O(CC)C(OCC)OC(=O)C
+O(CC)C(OCC)c1cc2cncc(N3CCNCC3)c2o1
+O(CC)C(OCC)c1oc2c(ccc(c2)C(OC)=O)c1
+O(CC)CC(N=C=S)C
+O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCN
+O(CC)P(OCC)(=O)CC#N
+O(CC)P(OCC)(=O)CC(=O)NC1c2ccccc2CC1
+O(CC)P(OCC)(=O)NC1C(CCN(C(OCc2ccccc2)=O)C1)Cl
+O(CC)P(OCC)(=O)c1cc2n(nc(c2cc1)C(=O)OCC)CC(=O)O
+O(CC)P(OCC)(C(F)(F)c1c(Br)cc(C)cc1)=O
+O(CC)P(OCC)(C(F)(F)c1c(cc(C)cc1)Cl)=O
+O(CC)P(OCC)(C(F)C(OCC)=O)=O
+O(CC)P(OCC)(CCBr)=O
+O(CC)P(OCC)(CCC=O)=O
+O(CC)P(OCC)(CCCBr)=O
+O(CC)P(OCC)(CCOCCBr)=O
+O(CC)P(OCC)(Cc1c(Cl)cc(cc1)Cl)=O
+O(CC)P(OCC)(Cc1ccc(OC)cc1C)=O
+O(CC)P(OCC)(Cc1onc(CC)c1)=O
+O(CC)P(OCC)O
+O(CC)P(OCC)OCC
+O(CC)P(OCC)c1ccccc1
+O(CC)c1c(ccc(OC)c1)C(OCC)=O
+O(CC1C(COC(=O)C)CC=CC1)C(=O)C
+O(CC1CC(NC1)=O)COC
+O(CC1OC1)CC=C
+O(CCBr)C(=O)C
+O(CCBr)CC
+O(CCC(CC(N)C(=O)O)C)CC=C
+O(CCCC)C(c1nc(c2ccccc2c1O)O)=O
+O(CCCC)N=O
+O(CCCCCBr)C(C)=O
+O(CCCCCCCCCBr)COC
+O(CCCCCCCCCCCBr)C1OCCCC1
+O(CCCCN1C(=O)CCCC1CO)CC(OC)=O
+O(CCCCl)C(=O)Cl
+O(CCCN)CC
+O(CCCl)C(=O)Cl
+O(CCCl)CC
+O(CCCl)CC(=O)Cl
+O(CCF)C(=O)Cl
+O(CCN)CC
+O(CCN1C=CN=C(NCCc2ncccc2)C1=O)C(C)=O
+O(CCN=[N+]=[N-])CCOCCOCCN
+O(CCO)CCOCCO
+O(CCOCCOCCO)CCOC
+O(CCn1c(nnn1)Br)C(C)=O
+O(CN)C
+O(Cc1ncccc1)c2ccnc(O)c2
+O(Cc1ncnc(O)c1C)C
+O(Cn1cnc(CO)c1)CC
+O(N(C)C(=O)Cl)C
+O(N)Cc1sc(cc1)Cl
+O(c1c(C(=O)O)cc(Br)cn1)C
+O(c1c(C)cccc1)CCCCCCCCBr
+O(c1c(CC)cc(C#N)c(C)n1)C
+O(c1c(CC)cc(c(C)n1)-c2cccs2)C
+O(c1c(Cl)c(c(Cl)c(OC)c1)-c2cc3cnc(SC)nc3nc2O)C
+O(c1c(F)cc(C=O)cn1)C
+O(c1c(F)cc(Cl)cn1)C
+O(c1c(I)cc2C(C(=CN(C)c2n1)C(OCC)=O)=O)C
+O(c1c(N)cccn1)C
+O(c1c(O)c(C(=O)O)ncc1)C
+O(c1c(O)ccc(c1)CC2c3cc(OC)c(cc3CCN2)OC)C
+O(c1c(O)nc(Cl)nc1)C
+O(c1c(OC)cc2c(c(ncn2)Cl)c1)C(C)=O
+O(c1c([N+]([O-])=O)cccc1)CCCCl
+O(c1c(c(CCC=C)cc(C)n1)C#N)C
+O(c1c(c(cc(C)n1)C(CC=C)C)C#N)C
+O(c1c(cc(Cl)cn1)C=O)C
+O(c1c(cccn1)C=O)C
+O(c1c(cccn1)CCO)C
+O(c1c2c(ccn1)[nH]cc2I)C
+O(c1c[n+](N)ccc1)C
+O(c1cc(Br)cnc1N)C
+O(c1cc(CC(O)=O)c(cc1OC)[N+]([O-])=O)C
+O(c1cc(Cl)c(nc1)C(=O)C)C
+O(c1cc(Cl)cnc1N)C
+O(c1cc(NC(C)=O)ccc1[N+]([O-])=O)C(C)=O
+O(c1cc([N+]([O-])=O)cc2c1NC(CC2)=O)C(C)=O
+O(c1cc(cc(OC)c1)C(=O)N(C)OC)C
+O(c1cc(cc(OC)c1)CC#N)C
+O(c1cc(cc(OC)c1)CCc2cc(N)[nH]n2)C
+O(c1cc(cc(OC)c1)CCc2nc3c(nc2)[nH]c(Br)c3)C
+O(c1cc(cc(OC)c1)Nc2nc(c(cn2)C(OCC)=O)Cl)C
+O(c1cc(cc(OC)c1C(=O)C)OC)C
+O(c1cc(cc(OC)c1C)C(=O)O)C
+O(c1cc(cc(OC)c1N)Br)C
+O(c1cc(cc(OC)c1OC)C(=O)N)C
+O(c1cc(cc(OC)c1OC)C)C
+O(c1cc(cc(OC)n1)C(=O)O)C
+O(c1cc(cc(OCCOC)c1)CO)CCOC
+O(c1cc2OCC(c2cc1)CC(OC)=O)C3CCc4c3c(F)ccc4O
+O(c1cc2nc(Cl)nc(N)c2cc1OC)C
+O(c1cccc(I)c1)c2ncccc2
+O(c1cccc(OC)c1C(CC(C(OCC)=O)=O)=O)C
+O(c1cccnc1O)C
+O(c1cccs1)C
+O(c1ccn2c(c1)nc(C)c2C(OCC)=O)C
+O(c1ccnc(Br)c1)C
+O(c1ccnc(CCl)c1)C
+O(c1ccnc(Cl)c1)C
+O(c1ccnc2c1cc(CO)[nH]2)C
+O(c1ccsc1)C
+O(c1cnc(cc1)N)c2ncnc(Cl)c2
+O(c1nc(C)sc1C(=O)O)C
+O(c1nccc(Cl)c1C=O)C
+O(c1nccc(I)c1C=O)C
+O(c1sc(nc1)C(=N)N)C
+O1B(OB(OB1C)C)C
+O1B(OB(OB1C=C)C=C)C=C
+O1C(=O)C(C(OC1(C)C)=O)C(C2CC2)c3cc(O)ccc3
+O1C(=O)C2(CC2)C(OC1(C)C)=O
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+O1C(C(=O)OC)C1
+O1C(C(CC1c2ccc(c(C)c2)F)CC=C)=O
+O1C(C)(C(C(N)CC2=CCCC2)=O)C1
+O1C(C)C(C(=O)OC)C(C1)=O
+O1C(C)C(S)CC1
+O1C(C)C1
+O1C(C)CC(CC1)=O
+O1C(C)CNCC1
+O1C(C1)COc2c(Cl)nccn2
+O1C(C=O)CCc2cc(ccc12)F
+O1C(CBr)C1
+O1C(CC)C1
+O1C(CC1)=O
+O1C(CCBr)C1
+O1C(CCC)C1
+O1C(CCCCCCCC(=O)OC)CCC1CCC(CCCCC)=O
+O1C(CCl)C1
+O1C(CN)CN(CC1)Cc2ccc(c(c2)Cl)Cl
+O1C(CN)COC1
+O1C(CN2CCc3ccccc3C2)C1
+O1C(CO)C1
+O1C(CO)CC(N)C1
+O1C(CO)CN(C1)c2ccc3C(N4C(=Nc3c2)C(c5cc(ccc45)F)=O)=O
+O1C(COC(CCC)=O)C1
+O1C(COC)C1
+O1C(COc2c(C(OC)=O)cccc2)C1
+O1C(COc2c3c(ccc2)[nH]c4c3cccc4)C1
+O1C(COc2ccccc2CCOC)C1
+O1C(Cc2c1c(c(C)c(N)c2C)C)(CBr)C
+O1C(Nc2c(cc(Br)cn2)C1)=O
+O1C(c2c(cc(cc2)CC=C)C1)=O
+O1C(c2c(cc(cc2)F)C1)=O
+O1C(c2c(cc(cc2)NC(CCl)=O)C1)=O
+O1C(c2c(cccc2)CC1)CC(=O)O
+O1C2CC(NC2)C1
+O1C2CNCC2OC1
+O1CC(C)(C)COB1B2OCC(C)(C)CO2
+O1CC(CO)Oc2cc(cc(F)c12)Br
+O1CC(COC1(C)C)(NC(=O)CCl)c2cc(ncc2)Br
+O1CC(COC1(C)C)CO
+O1CC(COC1(C)C)c2cc(cnc2)Br
+O1CC(COC12CCC2)CO
+O1CC(Cn2cc([N+](=O)[O-])nc12)NC(CCl)=O
+O1CC(N=C1)=O
+O1CC(N=[N+]=[N-])C2OCC(N=[N+]=[N-])C12
+O1CC([N+]([O-])=O)Cc2c1c(F)ccc2C(=O)N
+O1CCC(c2c1cccn2)=O
+O1CCC(c2ccc(cc12)O)=O
+O1CCC1CO
+O1CCCC(C1CO)O
+O1CCCC1C(=O)O
+O1CCCC1CBr
+O1CCCC1CN
+O1CCCC1CO
+O1CCCC=C1
+O1CCCOB1c2cccnc2
+O1CCN(C(c2cc(c(cc2)Cl)Cl)=O)CC1CN
+O1CCN(CC1CCl)C
+O1CCN(CC1CO)C=2SCC(N=2)=O
+O1CCN(CCCl)C1=O
+O1CCN=C1C
+O1CCNC1=O
+O1CCNCC1C(=O)O
+O1CCNCC1CN
+O1CCNCC1CO
+O1CCNc2c1cc(Br)cn2
+O1CCOC1(C)C23C4CC(CC(CN5S(=O)(=O)CCC5)(C2)C4)C3
+O1CCOC1(C)CCC#C
+O1CCOC1(c2nc(Br)ccc2)C
+O1CCOC12CC(C)(C)C(=O)CC2
+O1CCOC12CC=C(c3cc(F)c(F)cc3)CC2
+O1CCOC12CCC(CC2)(C#C)O
+O1CCOC12CCC(CC2)(C(=O)O)C
+O1CCOC12CCC(CC2)(C(OC)=O)N
+O1CCOC12CCC(CC2)(c3cccc(c3)F)O
+O1CCOC12CCC(CC2)=Cc3ccccc3
+O1CCOC12CCC(CC2)=O
+O1CCOC12CCC(CC2)CC(c3ccc(S(=O)(=O)C)c(c3)Cl)C(OC)=O
+O1CCOC12CCC(CC2)N(C(C3CCC(CC3)C)=O)c4ccsc4C(OC)=O
+O1CCOC12CCC(CC2)c3cnc(N)cn3
+O1CCOC12CCC3(c4c(cc(cc4)N)OCCC3C2)CC
+O1CCOC12CCN(CC2)c3ccc(cc3)C(=O)OCC
+O1CCOC12CCN(CC2)c3ccc(cc3)[N+]([O-])=O
+O1CCOC12CCNC(CC2)=O
+O1CCOC12CCNCC2
+O1CCOC12CCSC(C(C)C)C2
+O1CCOC1CBr
+O1CCOC1CC(C)C2CC(CCC2)C(C)C
+O1CCOC1CC2CC=C(C2(C)C)C
+O1CCOC1CCCc2ccc(cc2)C#N
+O1CCOC1c2cc(N(C)C)c(cc2)O
+O1CCOC1c2cc(c(cc2)F)Cc3ccccc3
+O1CCOC1c2cc(ccc2)OCCCNC3=C(C(=O)C3=O)N
+O1CCOC1c2cnc(cc2)-c3sc4c(nccc4Oc5ccc(N)cc5F)c3
+O1CCOc2ccc(N)cc12
+O1CCOc2ccc(cc12)[N+]#[C-]
+O1CCc2c1nccc2I
+O1CCc2c[n+](N)ccc12
+O1COc2c(N)c(Cl)ccc12
+O1c2c(cc(cc2CCC1C(=O)O)F)[N+]([O-])=O
+O1c2c(ccc(C=3CCC(CC=3)C#N)c2OCC1)OC
+O1c2ccc(Cl)cc2NCC1C(OCC)=O
+O1c2ccc3nc(C)ccc3c2OC(CO)C1
+O1c2cccc(c2OC(CO)C1)Br
+O1c2ccccc2CC(N)C1
+O1c2ccccc2NCC1C(=O)O
+O=C(C(=COC)c1ccccc1Oc2cccc(NC=O)c2)OC
+O=C(C(=NNc1cccc(Br)c1F)C(COC)=O)OC
+O=C(C(=NOC)C(C)=O)OC
+O=C(C(=O)C(C)=O)OCC
+O=C(C(=O)C=Cc1ccc(Br)nc1)OC
+O=C(C(C(Br)C)=O)OC
+O=C(C(C(Br)C)=O)OCC
+O=C(C(C(CC)NC(C)=O)=O)OCC
+O=C(C(C(c1cccc([N+]([O-])=O)c1)Cl)=O)OC
+O=C(C(C)(Cc1c[nH]c2c1cc(OC)cc2)N)OC
+O=C(C(C)=O)OCC
+O=C(C(C)CN)O
+O=C(C(CBr)=O)OC
+O=C(C(CC#N)=Cc1ccc(cc1[N+]([O-])=O)Br)OCC
+O=C(C(CC(OCC)=O)N1C(=O)NC(C=C1)=O)OCC
+O=C(C(CC(c1cc(ccc1)Br)=O)=O)OC
+O=C(C(CO)C)O
+O=C(C(CO)C)OC
+O=C(C(CSc1cc(ccc1)OC)=O)OCC
+O=C(C(Cc1c[nH]c2c1cc(OCC)cc2)(C)[N+](=O)[O-])OC
+O=C(C(Cc1ccnc(Cl)c1[N+]([O-])=O)=O)OCC
+O=C(C(N)C)OC
+O=C(C(c1cc(ccc1)Br)(C)N)OC
+O=C(C)C(=COCC)C(OCC)=O
+O=C(C)C(C(=O)C)Cc1ccc(cc1)Cl
+O=C(C)C(Cl)C
+O=C(C)Cl
+O=C(C)N1c2ccccc2CC1
+O=C(C)NC(N)=S
+O=C(C)OCC(COC(=O)C)c1ccc(cc1)N
+O=C(C)OO
+O=C(CC(=O)OC)C(=O)OC
+O=C(CC)OC(=O)CC
+O=C(CCl)N=C=O
+O=C(CN)O
+O=C(CN)OC
+O=C(CON)OC
+O=C(Cl)c1c(ccc(F)c1Cl)F
+O=C(Cl)c1ccccc1C(=O)Cl
+O=C(N(C)OC)c1cccc(C#N)c1
+O=C(N)C
+O=C(N)C(N)C
+O=C(N)C1CC(O)CN1
+O=C(N)CI
+O=C(N)CN
+O=C(N)CSC
+O=C(N)NC
+O=C(N)NCC(C)=C
+O=C(N)c1ncc(nc1)Cl
+O=C(NC(SC)=N)c1nc(c(nc1N)N)Cl
+O=C(NCCO)c1c(sc2CCCCc12)N
+O=C(NCCOC(c1cc(ccc1)C(OCC)=O)c2cccc(c2)Cl)OC
+O=C(Nc1ccc(C#N)c(Cl)c1C)N2CCC(O)C2C(OC)=O
+O=C(O)C
+O=C(O)C#CC
+O=C(O)C(C)=C
+O=C(O)C(C)F
+O=C(O)C(N)C
+O=C(O)C(NC(C)=O)C
+O=C(O)C1CC(O)CN1
+O=C(O)C1NCCOC1
+O=C(O)CCCCCCCCCCCCCCC(=O)O
+O=C(O)CCCCCCCCCCCCCCCCCCCCC
+O=C(O)CNC
+O=C(O)CNc1cc(c(cc1)Cl)Cl
+O=C(O)COC
+O=C(O)CSC
+O=C(O)Cc1ncccc1
+O=C(O)c1c(Cl)cc(Cl)c(F)c1
+O=C(O)c1c(O)c(NC=2C(C(=O)C=2OCC)=O)ccc1
+O=C(O)c1c(c(OC)ccc1)OC
+O=C(O)c1c2-c3c(C(=O)c2ccc1)cccc3
+O=C(O)c1c2c(cc(Br)c1)cccc2
+O=C(O)c1c2c(cccc2)nc(c1)C(=O)O
+O=C(O)c1cc(F)c(Cl)cc1F
+O=C(O)c1cc(F)c(cc1F)C=2CCN(C(C)=O)CC=2
+O=C(O)c1cc(cc2ccccc12)[N+]([O-])=O
+O=C(O)c1ccccc1O
+O=C(O)c1ccnn1C
+O=C(O)c1cnccc1Oc2cc(Cl)c(cc2Cl)Br
+O=C(O)c1nccs1
+O=C(O)c1oc2c(cccc2)c1
+O=C(OC(c1ccccc1Cl)C)Nc2c(Br)cncc2
+O=C(OC)C(=COC)c1ccccc1CBr
+O=C(OC)C(Cl)=O
+O=C(OC)C(Cl)C
+O=C(OC)C1CC(O)CN1
+O=C(OC)C1SCCN1
+O=C(OC)CNC
+O=C(OC)c1c(O)ccs1
+O=C(OC)c1c(cccc1CN)C(OC)=O
+O=C(OC)c1nc(Cl)c(Cl)nc1N
+O=C(OC)c1nccc(C)c1
+O=C(OCC)C(=NNc1c([N+]([O-])=O)cc(cc1)OCCOC)C
+O=C(OCC)C(=NO)C(C)=O
+O=C(OCC)C(=NO)C(CC)=O
+O=C(OCC)C(=NOC)C(C)=O
+O=C(OCC)C(=O)NNc1nccnc1
+O=C(OCC)C(=O)Nc1c(ccs1)C(=O)N
+O=C(OCC)C(=O)Nc1cc(ccc1[N+]([O-])=O)F
+O=C(OCC)C(=[N+]=[N-])CC
+O=C(OCC)C(C(=O)OCC)(COC)C1CCCCC1
+O=C(OCC)C(C(=O)OCC)(c1ccc(cc1)[N+](=O)[O-])C
+O=C(OCC)C(C(=O)OCC)=CNc1ccnc(N2CCN(CC2)C)n1
+O=C(OCC)C(C(=O)OCC)C(c1ccc(I)cc1Cl)=O
+O=C(OCC)C(C(=O)OCC)C1CN(C1)C(=O)OCc2ccccc2
+O=C(OCC)C(C(=O)OCC)NC(=O)C
+O=C(OCC)C(C(=O)OCC)c1c(cc(cn1)[N+](=O)[O-])I
+O=C(OCC)C(C(=O)c1c(c(F)cc(c1)I)F)=CNCCO
+O=C(OCC)C(C(NC(C)=O)C)=O
+O=C(OCC)C(C)(C(=O)N(N)C)O
+O=C(OCC)C(C)(C(O)=O)F
+O=C(OCC)C(CBr)=O
+O=C(OCC)C(CC(=O)C)=O
+O=C(OCC)C(CC(=O)CC)=O
+O=C(OCC)C(CC(c1cccc(c1)F)=O)=O
+O=C(OCC)C(Cl)=O
+O=C(OCC)Cc1c([N+]([O-])=O)cccc1
+O=C(OCC)Cc1cccc(Oc2c(F)cccc2)c1[N+](=O)[O-]
+O=C(OCC)Cc1cccc(Oc2ccccc2Cl)c1[N+](=O)[O-]
+O=C(OCC)c1[nH]c2c(cc(F)cc2)c1CC(=O)OCC
+O=C(Oc1cc(cc(OC(=O)C)c1)C(O)=O)C
+O=C(c1c(C(=O)c2ccccc2OC)ccc(OC)c1)O
+O=C(c1c(C(O)=O)c(OC)ccc1)O
+O=C(c1c(Cl)cc(F)c(Cl)c1)O
+O=C(c1c(F)c(c(F)c(c1)F)F)O
+O=C(c1c(F)c(c(c(c1)F)F)OC)O
+O=C(c1c(Nc2ccccc2F)c(F)c(N)c(O)c1)O
+O=C(c1c(O)c2c(cc1)cccc2)O
+O=C(c1c(c(c(cc1)F)Cl)Cl)O
+O=C(c1c(c(cc(Br)c1)C(C)=O)O)O
+O=C(c1c2OCCOc2ccc1)O
+O=C(c1c2c(cccc2)nc(c1)Cl)O
+O=C(c1c2ccc(cc2c3c(c(ccc3c1)OC)OC)C)O
+O=C(c1cc(F)c(F)c(c1Nc2ccc(I)cc2C)F)O
+O=C(c1cc(cc(C(=O)OC)n1)CCCO)OC
+O=C(c1cc(cc(C(=O)OCC)n1)O)OCC
+O=C(c1cc2cc(ccc2cc1O)C(=O)O)O
+O=C(c1ccc(C(=O)OCC)s1)Cl
+O=C(c1ccc([N+]([O-])=O)c(c1O)O)O
+O=C(c1cccc2ccccc12)O
+O=C(c1ccccc1-n2nncn2)O
+O=C(c1ccccc1Br)O
+O=C(c1ccccc1Cl)O
+O=C(c1ccccc1I)O
+O=C(c1n(CC=C)c2c(n1)N(CCCC)C(=O)N(CCCC)C2=O)OC
+O=C1C(=C(C(O1)=O)c2cn(C)c3ccccc23)c4cccc(c4)[N+]([O-])=O
+O=C1C(=O)c2c(cccc2)N1CCCCC
+O=C1C(C(=O)C1)(C)c2ccccc2
+O=C1C(C(=O)C1)(c2ccc(cc2)C)C
+O=C1C(C(OCC)=O)CCCCCC1
+O=C1C2CC=CCC2C(=O)N1CCCCl
+O=C1C2CCCCC2C(=O)O1
+O=C1C=CC(=O)N1
+O=C1C=CC(=O)N1C(OC)=O
+O=C1C=CC(C(=O)OC)=C(Cl)N1C
+O=C1C=CNC(N1C)=O
+O=C1C=Cc2c([N+]([O-])=O)cccc2N1CC=O
+O=C1CC(=N)NN1
+O=C1CC(CC(=O)C1)c2ccccc2OC
+O=C1CC(c2c(N1)cccc2)C(O)=O
+O=C1CC2C(CC(C2)=O)CN1
+O=C1CCC(=O)N1
+O=C1CCC(=O)N1Cl
+O=C1CCC(=O)N1I
+O=C1CCC(=O)N1O
+O=C1CCC(=O)N1OC(=O)OCc2ccccc2
+O=C1CCC(=O)N1OC(=[N+](C)C)N(C)C
+O=C1CCC(=O)N1OC(CC#N)=O
+O=C1CCC(=O)N1OC(ON2C(=O)CCC2=O)=O
+O=C1CCC(CCC(Cc2cccc(F)c2)=O)N1
+O=C1CCCC(=O)C1
+O=C1CCCCC(=O)C1Br
+O=C1CCCCN1
+O=C1CCc2cc(O)c(O)cc12
+O=C1CN(C(N1)=O)C
+O=C1CNC(=O)N1
+O=C1COCC(=O)O1
+O=C1N(C(=CC(=O)O1)C)C
+O=C1N(C(=O)C)CC(=O)N(C(=O)C)C1
+O=C1N(C(=O)N(C(=O)N1Cl)Cl)Cl
+O=C1N(C(=O)N(c2c(Cl)cc(c([N+]([O-])=O)c2)F)C(=O)N1CC(O)=O)C
+O=C1N(C(=O)NC(Cl)=C1)C
+O=C1N(C)c2c(N1C)cc(N)c(c2)Br
+O=C1N(C=CC=C1)C(N2C(=O)C=CC=C2)=S
+O=C1N(CC)C(=NC(=C1)Cl)Cl
+O=C1N(c2ccccc2C1=O)CC(=O)OC
+O=C1NC(SC1)=O
+O=C1NC2CSC(CCCCC(=O)O)C2N1
+O=C1NCCC(=O)C1
+O=C1Nc2c(CN(C)C1)cc(Br)cn2
+O=C1Nc2c(cccc2)CC1CC(=O)O
+O=C1Nc2c(cccc2F)NCC1
+O=C1OC(=O)c2c1c(F)ccc2
+O=C1OC(C)(C)OC(=O)C1Cc2c[nH]c3c2cc(cc3)[N+](=O)[O-]
+O=C1OC(OC(=O)C1)(C)C
+O=C1OC(c2ccccc2N1)=O
+O=C1Oc2c(ccc(C#N)c2)N1CC=C
+O=C1Oc2c(ccc(c2)O)N1CC(=O)O
+O=C1c2c(C(=O)N1C(c3cc4c(Cl)cccc4nc3Cl)C)cccc2
+O=C1c2c(C(=O)N1C(c3cc4c(nc3Cl)sc(c4)Br)C)cccc2
+O=C1c2c(C(=O)N1C3CCC(=O)C3)cccc2
+O=C1c2c(cccc2)C(=O)N1CC=C
+O=C1c2c(cccc2)C(=O)O1
+O=C1c2c(cccc2)NC(=S)N1c3ccc(c(c3)Cl)Cl
+O=C1c2ccccc2C(=O)N1C(CC(C)C)CO
+O=C1c2ccccc2C(=O)N1C3C(=O)NCC(c4occc4)SC3
+O=C1c2ccccc2C(=O)N1Cc3c4c(OC)cc(OC)cc4c(cn3)C(=O)OCC
+O=C1c2ccccc2C(=O)N1OCCCO
+O=C1c2ccccc2C(=O)N1c3cnc(c(Br)c3)C(Cc4cc(F)cc(F)c4)N
+O=C1c2ccccc2C(=O)N1c3nc(c(cc3)C)Br
+O=C=Nc1cc(F)ccc1
+O=C=O
+O=CC(=O)O
+O=CC(C=O)Br
+O=CC1CCOC1
+O=CCCNC
+O=CCCNCCl
+O=CCCc1cccnc1
+O=CCCl
+O=CCO
+O=CN
+O=CNN
+O=COC
+O=Cc1[nH]c(cc1C)C
+O=Cc1[nH]ccn1
+O=Cc1c(-c2cc3C(=O)NC(Oc3cc2)=O)n[nH]c1
+O=Cc1c(Br)c(C)ccc1
+O=Cc1c(Br)ccs1
+O=Cc1c(C(=O)O)cc(C)[nH]1
+O=Cc1c(C(=O)O)cccc1
+O=Cc1c(C(NC)=O)[nH]c2c1cccc2
+O=Cc1c(C(OC)=O)cccc1
+O=Cc1c(C)cc(c(C)c1)OC
+O=Cc1c(C)ccc(c1)F
+O=Cc1c(Cl)ccc([N+]([O-])=O)c1
+O=Cc1c(Cl)cccc1F
+O=Cc1c(Cl)nc(cc1)Cl
+O=Cc1c(Cl)nc2c(c1)c(Cl)ccc2
+O=Cc1c(F)cc(c(F)c1)C#N
+O=Cc1c(F)cc(cc1OC)Br
+O=Cc1c(N)cc(OC)c(OC)c1
+O=Cc1c(O)c(OC)c(cc1)[N+]([O-])=O
+O=Cc1c(O)c(ccc1)O
+O=Cc1c(O)c(ccc1)OC
+O=Cc1c(O)cc2CCC3C4CCC(=O)C4(CCC3c2c1)C
+O=Cc1c(O)nc(cc1)Cl
+O=Cc1c(OC)c(C)cc(c1)F
+O=Cc1c(OC)c(OC)ccc1
+O=Cc1c(OC)cc(cc1)O
+O=Cc1c(OC)cc2c(c1)c(ncn2)Nc3cccc(Cl)c3F
+O=Cc1c(OC)ccc(c1)OC
+O=Cc1c(OCC)ccc2c1cccc2
+O=Cc1c(SCC)cccc1
+O=Cc1c(c(Br)ccc1)F
+O=Cc1c(c(C(=O)O)c(C)[nH]1)C
+O=Cc1c(c(CCC(=O)O)c(C)[nH]1)C
+O=Cc1c(c(Cl)ccc1)Cl
+O=Cc1c(c(Cl)cnc1)Cl
+O=Cc1c(c(F)ccc1)C
+O=Cc1c(c(F)ccc1)F
+O=Cc1c(c(c(cc1)OC)OC)O
+O=Cc1c(c(cc([N+]([O-])=O)c1)OC)O
+O=Cc1c(c(ccc1)OC)C
+O=Cc1c(c(ccc1)OC)F
+O=Cc1c(c(ccc1)OC)[N+]([O-])=O
+O=Cc1c(cc(O)cc1Cl)O
+O=Cc1c(cc(OC)cc1)OCC=C
+O=Cc1c(cc([N+]([O-])=O)cc1)OC
+O=Cc1c(cc(c(c1)Br)OC)OC
+O=Cc1c(cc(cc1)F)Br
+O=Cc1c(cc(cc1F)Br)[N+]([O-])=O
+O=Cc1c(ccc([N+]([O-])=O)c1)Br
+O=Cc1c(ccc2ncccc12)[N+]([O-])=O
+O=Cc1c(cccc1)C#N
+O=Cc1c(cccc1)Cl
+O=Cc1c(cccc1F)OC
+O=Cc1c(cccc1OCOC)O
+O=Cc1c2c([nH]c1)cccc2
+O=Cc1c2c([nH]c1Cl)cccc2
+O=Cc1c2c(c(cc1)O)cccc2
+O=Cc1c2c(ccc1)C(C=C(C)O2)=O
+O=Cc1c2c(cccc2)ccc1
+O=Cc1c2cc(-n3ncnc3)ncc2[nH]c1
+O=Cc1c2cc(C)ccc2[nH]c1
+O=Cc1c2cc(ccc2[nH]c1)CCCl
+O=Cc1c2cc[nH]c2ccc1
+O=Cc1c2ccc(C)cc2[nH]c1
+O=Cc1c2n(nc1-c3occc3)c(Cl)ccc2
+O=Cc1c2ncccc2ccc1
+O=Cc1cc(Br)c(c(c1)OC)O
+O=Cc1cc(Br)c2OCCc2c1
+O=Cc1cc(Br)cc(OC)c1
+O=Cc1cc(Br)cc2CCCN(C)c12
+O=Cc1cc(C(=O)O)ccc1O
+O=Cc1cc(C(CC(OC)=O)C(=O)OC)cc(Br)c1O
+O=Cc1cc(C)c(s1)C
+O=Cc1cc(C)ccc1F
+O=Cc1cc(C)ccc1O
+O=Cc1cc(C)cs1
+O=Cc1cc(Cl)c(F)cc1OC
+O=Cc1cc(OC)c(O)c(Cl)c1
+O=Cc1cc(OC)ccc1Br
+O=Cc1cc(OC)ccc1F
+O=Cc1cc(OC)ccc1O
+O=Cc1cc([N+]([O-])=O)ccc1F
+O=Cc1cc([N+]([O-])=O)ccc1O
+O=Cc1cc(c(O)c(F)c1)OC
+O=Cc1cc(c(O)cc1O)OC
+O=Cc1cc(c(cc1F)C)Br
+O=Cc1cc(c(cc1O)O)Br
+O=Cc1cc(cc(Cl)c1OC)F
+O=Cc1cc(cc(F)c1)Br
+O=Cc1cc(cc(c1O)Br)Br
+O=Cc1cc(cc(c1O)OC)Br
+O=Cc1cc(cc(c1OC)OC)Cl
+O=Cc1cc(ccc1Br)F
+O=Cc1cc(ccc1Br)O
+O=Cc1cc(ccc1F)F
+O=Cc1cc(ccc1O)C(=O)OC
+O=Cc1cc(ccc1O)F
+O=Cc1cc(cnc1)Br
+O=Cc1cc2C(=O)N(c3ccc(Cl)nc3N(c2nc1)CC)C
+O=Cc1cc2OCOc2cc1C
+O=Cc1cc2OCOc2cc1F
+O=Cc1cc2c(nc1-c3c(cccc3)F)c(Cl)ccc2
+O=Cc1cc2c(nc1Cl)c(Cl)ccc2
+O=Cc1cc2c(o1)ccc(C#N)c2
+O=Cc1cc2cc(Cl)c(OC)cc2nc1Cl
+O=Cc1cc2cc(Cl)c(OC)cc2nc1O
+O=Cc1cc2cc(OC)ccc2nc1Cl
+O=Cc1cc2ccc(cc2nc1Cl)F
+O=Cc1cc2cccc(C)c2nc1Cl
+O=Cc1cc2cccc(C)c2nc1O
+O=Cc1cc2ncccc2cc1OC
+O=Cc1ccc(Br)nc1
+O=Cc1ccc(C(=O)O)cc1O
+O=Cc1ccc(C(=O)O)s1
+O=Cc1ccc(C)cc1C
+O=Cc1ccc(Cl)s1
+O=Cc1ccc(NC(C)=O)nc1
+O=Cc1ccc(O)c(Cl)c1Cl
+O=Cc1ccc(OC)cc1C
+O=Cc1ccc(OC)cc1O
+O=Cc1ccc(OC)cc1OC
+O=Cc1ccc(OCC)cc1C
+O=Cc1ccc([N+]([O-])=O)o1
+O=Cc1ccc(cc1C)F
+O=Cc1ccc(cc1C=C)C#N
+O=Cc1ccc(cc1Cl)F
+O=Cc1ccc(cc1F)O
+O=Cc1ccc(cc1F)OC
+O=Cc1ccc(cc1O)F
+O=Cc1ccc(cc1O)O
+O=Cc1ccc(nc1)Cl
+O=Cc1ccc(nc1)F
+O=Cc1ccc(nc1)OC
+O=Cc1ccc2c(cccc2)c1Br
+O=Cc1cccc(Br)n1
+O=Cc1cccc(C)c1O
+O=Cc1cccc(C=O)c1
+O=Cc1cccc(O)c1Cl
+O=Cc1cccc2OCOc12
+O=Cc1cccc2cc[nH]c12
+O=Cc1cccc2nonc12
+O=Cc1ccccc1-n2ccnc2
+O=Cc1ccccc1Br
+O=Cc1ccccc1C
+O=Cc1ccccc1F
+O=Cc1ccccc1O
+O=Cc1ccccc1OC
+O=Cc1ccccc1OCC(=O)O
+O=Cc1ccccc1OCCCCCC(OCC)=O
+O=Cc1ccccc1[N+]([O-])=O
+O=Cc1cccn1C
+O=Cc1cccs1
+O=Cc1ccnc2c(Br)cccc12
+O=Cc1cnc(Cc2cc(ccc2)OC)c3c1cc(OCCCOC(=O)C)c(OC)c3
+O=Cc1cnc2c(ccc(c2)O)c1
+O=Cc1cnn(C)c1
+O=Cc1n(C)cc(c1)C(=O)OC
+O=Cc1n(ccc1)-c2ccc(C#N)cc2C
+O=Cc1n[nH]c(C)c1
+O=Cc1nc(ccc1)F
+O=Cc1nc2c(cc1)cc(cc2)F
+O=Cc1nc2c(cc1)cccc2O
+O=Cc1ncc(Cl)nc1Cl
+O=Cc1nccc(Br)c1
+O=Cc1ncccc1
+O=Cc1nccs1
+O=Cc1oc(cc1)C(=O)O
+O=Cc1oc2c(cccc2c1)OC
+O=Cc1sc(Br)nc1
+O=I(=O)(=O)O
+O=I(=O)Cl
+O=O
+O=S(=O)(C(C)(C(=O)OCC)CCc1cc(on1)C#CC2CC2)C
+O=S(=O)(C(C)C)NC1C(OCc2ccccc2)CCC1
+O=S(=O)(C(C)C)c1ccc(cc1)Cl
+O=S(=O)(C(C)C)c1ccc(cc1[N+]([O-])=O)C=C
+O=S(=O)(C(CCBr)C(=O)OC)O
+O=S(=O)(C(c1cc(F)ccc1F)c2c(cc(nc2)C(=O)O)C)c3ccc(cc3)F
+O=S(=O)(C)C
+O=S(=O)(C)C(C(=O)OCC)(C)CCBr
+O=S(=O)(C)C(C(OCC)=O)(C)CCc1cnc(Br)cc1
+O=S(=O)(C)C1CN(C(C1)C(=O)OC)C(CC(C)=O)=O
+O=S(=O)(C)C=C
+O=S(=O)(C)CC#N
+O=S(=O)(C)CC(O)=O
+O=S(=O)(C)CCC#C
+O=S(=O)(C)CCCO
+O=S(=O)(C)CCN1CCNCC1
+O=S(=O)(C)CCNC
+O=S(=O)(C)CCO
+O=S(=O)(C)Cc1cc(C=2c3c(C(N(C)C=2)=O)[nH]c(C(OCC)=O)c3)c(Nc4ccc(cc4)Cl)cc1
+O=S(=O)(C)Cc1ccc(cc1O)C(O)=O
+O=S(=O)(C)Cl
+O=S(=O)(C)N(C)CCN
+O=S(=O)(C)N(C)c1c(cc(Br)cc1)[N+]([O-])=O
+O=S(=O)(C)N(C)c1cc2c(c(c(C=3CCCC=3)o2)C(O)=O)cc1Br
+O=S(=O)(C)N(C)c1ccc(cc1)C(OC)=O
+O=S(=O)(C)N(S(=O)(=O)C)c1cc(Br)ncc1I
+O=S(=O)(C)N(c1ccc2C(N(C(c2c1)=O)CC(=O)OCc3ccccc3)=O)CCO
+O=S(=O)(C)N1CC(CC1)N
+O=S(=O)(C)N1Cc2ccc(cc2CC1)O
+O=S(=O)(C)NCCN
+O=S(=O)(C)NCc1c(cc(cc1)C(C(OCC)=O)C)F
+O=S(=O)(C)NCc1cc(Br)cc(F)c1
+O=S(=O)(C)NN
+O=S(=O)(C)NN1C(c2c(NC1=O)cc(C(C)C)c(-c3n(ncc3)C)c2)=O
+O=S(=O)(C)Nc1c(C)cc(C(NO)=N)cc1CC
+O=S(=O)(C)Nc1c(O)ccc(C(CN)O)c1
+O=S(=O)(C)Nc1c2c(cc[nH]2)ccc1
+O=S(=O)(C)Nc1cc(ccc1)Br
+O=S(=O)(C)Nc1cc(ccc1Nc2nc(ncc2Cl)Cl)OC
+O=S(=O)(C)Nc1cc2S(=O)(=O)NC(CC(=O)O)=Nc2cc1
+O=S(=O)(C)Nc1cc2c(cc1Br)c(c(-c3c(F)cc(cc3)F)o2)C(=O)NC
+O=S(=O)(C)Nc1ccc(cc1)C(O)=O
+O=S(=O)(C)Nc1ccc(cc1F)CN
+O=S(=O)(C)Nc1cccc(Nc2nccs2)c1
+O=S(=O)(C)OC(C)CCOc1cc(CC)c(cc1)CCC(=O)OCC
+O=S(=O)(C)OC(C1CCN(C1)c2c([N+]([O-])=O)cc(cc2)Cl)C
+O=S(=O)(C)OCC(F)(F)CCOCc1ccccc1
+O=S(=O)(C)OCC1Oc2c(ccc(S(=O)(=O)c3cc(ccc3)F)c2)CC1
+O=S(=O)(C)OCCC
+O=S(=O)(C)OCCC(C(C)C)c1c(ccc(C)c1)OC
+O=S(=O)(C)OCCCCCCCCC=CCC=CCCCCC
+O=S(=O)(C)OCCCCCCCCCCCCCCC
+O=S(=O)(C)OCCF
+O=S(=O)(C)OCCN=[N+]=[N-]
+O=S(=O)(C)OCCc1ccc(cc1)OS(=O)(=O)C
+O=S(=O)(C)OCc1cc(Oc2c(c3cc([nH]c3cc2)C)F)ncn1
+O=S(=O)(C)OS(=O)(=O)C
+O=S(=O)(C)Oc1c(C)cc(O)c([N+]([O-])=O)c1
+O=S(=O)(C)Oc1ccc(cc1)O
+O=S(=O)(C)Oc1ccccc1N
+O=S(=O)(C)c1c(C(N=C=O)Cl)ccc(c1)Br
+O=S(=O)(C)c1c(Cl)c2c(nc1)ccc(n2)Cl
+O=S(=O)(C)c1c(cc(C(CC2CC(CC2)=O)C(=O)O)cc1)C
+O=S(=O)(C)c1c(cc(cc1)F)F
+O=S(=O)(C)c1c(ccc(Br)c1)F
+O=S(=O)(C)c1c(ccc(C(C(C)=O)Br)c1)Cl
+O=S(=O)(C)c1c(cccc1)C(CC(OC)=O)=O
+O=S(=O)(C)c1cc(c(O)cc1)I
+O=S(=O)(C)c1cc(c(cc1)F)Br
+O=S(=O)(C)c1cc(ccc1)B(O)O
+O=S(=O)(C)c1cc(ccc1)F
+O=S(=O)(C)c1cc(ccn1)C(NC(c2c3c(cnc2)n(nc3)-c4ccc(cc4)F)=O)CC(O)CO
+O=S(=O)(C)c1cc2c(N(C3CCNCC3)C(=O)N2)cc1
+O=S(=O)(C)c1ccc(C(=O)O)c(c1F)C
+O=S(=O)(C)c1ccc(C(=O)OC)c(C)c1-c2ccon2
+O=S(=O)(C)c1ccc(F)nc1C
+O=S(=O)(C)c1ccc(OC)c(C(O)=O)c1
+O=S(=O)(C)c1ccc(Oc2cc(c3c(cc([nH]3)C(O)=O)c2)O)cn1
+O=S(=O)(C)c1ccc(c(Cl)c1)C(O)=O
+O=S(=O)(C)c1ccc(c(OC)c1)Br
+O=S(=O)(C)c1ccc(c(c1)F)Br
+O=S(=O)(C)c1ccc(c(c1C(=O)O)Cl)C(=O)OC
+O=S(=O)(C)c1ccc(cc1)F
+O=S(=O)(C)c1ccc(cc1)N
+O=S(=O)(C)c1ccc(cc1)N2CCNCC2
+O=S(=O)(C)c1ccc(cc1-c2nc(nc(Cl)c2)N3CCOCC3C)F
+O=S(=O)(C)c1ccc(cc1C#N)-c2sc(NC(n3cncc3)=O)nc2C
+O=S(=O)(C)c1ccc(cc1Cl)C(C(=O)OC)=NOC2CCCC2
+O=S(=O)(C)c1ccc(cn1)Oc2cc(C)c3[nH]c(cc3c2)C(OCC)=O
+O=S(=O)(C)c1ccc(cn1)Oc2cc3c(c(CC)c2)[nH]c(C(N)=O)c3
+O=S(=O)(C)c1ccc(nc1)Br
+O=S(=O)(C)c1ccc2c(c1)OC(CC2)C(=O)OCC
+O=S(=O)(C)c1cccc(-c2sc(-c3cc(CBr)nn3-c4c(Cl)cccc4)cc2)c1
+O=S(=O)(C)c1cccc(C2=CCN(C(=O)OC)CC2)c1F
+O=S(=O)(C)c1cccc(NC(Oc2ccccc2)=O)c1
+O=S(=O)(C)c1cccc(c1)NN
+O=S(=O)(C)c1ccccc1N
+O=S(=O)(C)c1cnc(CN)cc1
+O=S(=O)(C)c1nc(-c2n3c(c(N4CCN(CC4)C)ncc3)nc2)ccn1
+O=S(=O)(C)c1nc(c(cn1)Cl)C(=O)OC
+O=S(=O)(C)c1nc(ccn1)-c2csc(N)n2
+O=S(=O)(C)c1nc(ccn1)C(=O)OC
+O=S(=O)(C)c1nc2N(C(C(=Cc2cn1)c3c(Cl)ccc(c3)[N+]([O-])=O)=O)OC
+O=S(=O)(C)c1nc2cccnc2n1C
+O=S(=O)(C)c1nc2n(C)nc(Br)c2cn1
+O=S(=O)(C)c1ncc(cn1)OC
+O=S(=O)(C1(CC1)CC=C)O
+O=S(=O)(C1(CC1)CCC)N
+O=S(=O)(C12c3c(F)ccc(c3OCC1CC(CC2)OCC=C)F)c4ccc(cc4)Cl
+O=S(=O)(C1CC1)N
+O=S(=O)(C1CCC1)Cl
+O=S(=O)(C1CCC1)c2ccc(c(F)c2)Br
+O=S(=O)(C1CCNCC1)NCc2ccccc2
+O=S(=O)(C1CCOCC1)c2ccc(cc2)Br
+O=S(=O)(C=C)c1cc2c(cc1)nc(N)s2
+O=S(=O)(CC(=O)C)C
+O=S(=O)(CC)Cl
+O=S(=O)(CC)N(c1cccc(c1)C(=O)OC)Cc2cccnc2
+O=S(=O)(CC)NC(C1CC1)c2cncc(c2)Br
+O=S(=O)(CC)NC1C(CCCC1)C(OCC)=O
+O=S(=O)(CC)c1c(C#N)c(cc(Cl)c1)C
+O=S(=O)(CC)c1ccc(C#N)cc1C
+O=S(=O)(CC)c1ccc(c(Br)c1)F
+O=S(=O)(CCC(=O)OC)Cl
+O=S(=O)(CCC(Cl)=O)CCCl
+O=S(=O)(CCC(OCC)=O)Cc1ccc(cc1)[N+]([O-])=O
+O=S(=O)(CCC)Cc1cc(cc(c1)F)[N+](=O)[O-]
+O=S(=O)(CCC)N
+O=S(=O)(CCC)Nc1c(F)c(C(=O)O)c(F)cc1
+O=S(=O)(CCC)Nc1ccc(F)c(C(=O)O)c1
+O=S(=O)(CCC1CCCC1)O
+O=S(=O)(CCCC(=O)OC)Cl
+O=S(=O)(CCCCC#N)NC
+O=S(=O)(CCCCC)N
+O=S(=O)(CCCCCCCCCCCCCCCC)Cl
+O=S(=O)(CCCCl)Cl
+O=S(=O)(CCCNC(C)=O)Cl
+O=S(=O)(CCCOc1c2ccn(c2ccc1)-c3nc(S(=O)C)ncc3)C
+O=S(=O)(CCCOc1cc(C)c(Br)cn1)C
+O=S(=O)(CCCc1ccc(cc1)OC)c2ccc(s2)S(=O)(=O)N
+O=S(=O)(CCCl)Cl
+O=S(=O)(CCN)C
+O=S(=O)(CCN)O
+O=S(=O)(CCN1C(=O)C=CC(Br)=C1)C
+O=S(=O)(CCN1CCC(C1)Oc2ccc(cn2)N)C
+O=S(=O)(CCN1Cc2c(CC1)c(ccc2)Br)C
+O=S(=O)(CCn1ccc2c1c(ncn2)Cl)C
+O=S(=O)(Cc1cc(cc2cc[nH]c12)F)C
+O=S(=O)(Cc1cc(nc(n1)Cl)Cl)C
+O=S(=O)(Cc1cc2ccccc2cc1)O
+O=S(=O)(Cc1cccc(c1)N)N
+O=S(=O)(Cc1ccccc1)Cl
+O=S(=O)(Cc1ccccc1)N
+O=S(=O)(Cc1ccccc1)NS(=O)(=O)C2CCN(CC2)C=O
+O=S(=O)(Cc1ccccc1C(=O)OC)N
+O=S(=O)(Cl)C(C)C
+O=S(=O)(Cl)CC#N
+O=S(=O)(Cl)CC(C(C)C)C(=O)N1C(=O)OCC1Cc2ccccc2
+O=S(=O)(Cl)CC1=NC(NN1)=O
+O=S(=O)(Cl)CCC
+O=S(=O)(Cl)CCC1C(NC(=O)N1)=O
+O=S(=O)(Cl)CCCC
+O=S(=O)(Cl)CCCCCCl
+O=S(=O)(Cl)CCCCCl
+O=S(=O)(Cl)CCc1ccccc1
+O=S(=O)(Cl)Cc1ccc(Cl)c(Cl)c1
+O=S(=O)(Cl)Cc1ccccc1[N+](=O)[O-]
+O=S(=O)(Cl)Cl
+O=S(=O)(Cl)N
+O=S(=O)(Cl)c1c(F)cc(cc1)Br
+O=S(=O)(Cl)c1c(OC)cccc1
+O=S(=O)(Cl)c1c(c(ccc1Cl)[N+](=O)[O-])Cl
+O=S(=O)(Cl)c1c(cc(F)cc1)C
+O=S(=O)(Cl)c1c(cc(cc1)Br)Cl
+O=S(=O)(Cl)c1c(cc(cc1)[N+](=O)[O-])OC
+O=S(=O)(Cl)c1c(ccc(Br)c1)OC
+O=S(=O)(Cl)c1c(ccc(Cl)c1)OC
+O=S(=O)(Cl)c1c(cccc1)F
+O=S(=O)(Cl)c1cc(Br)cnc1
+O=S(=O)(Cl)c1cc(C(C)C)c(Br)cc1C(C)C
+O=S(=O)(Cl)c1cc(C(Cl)=O)ccc1
+O=S(=O)(Cl)c1cc(Cl)c(Cl)cc1Cl
+O=S(=O)(Cl)c1cc(Cl)c(cc1F)F
+O=S(=O)(Cl)c1cc(c(cc1)Br)C
+O=S(=O)(Cl)c1cc(c(cc1)Cl)Cl
+O=S(=O)(Cl)c1cc(c(cc1)F)Cl
+O=S(=O)(Cl)c1cc(c(cc1C)OCC(=O)OCC)C
+O=S(=O)(Cl)c1cc(cc(Cl)c1O)Cl
+O=S(=O)(Cl)c1cc(ccc1Cl)Cl
+O=S(=O)(Cl)c1cc2c(cc1)NC(=O)C2=O
+O=S(=O)(Cl)c1cc2ccc(cc2cc1)Br
+O=S(=O)(Cl)c1ccc(C)cc1OC
+O=S(=O)(Cl)c1ccc(C)s1
+O=S(=O)(Cl)c1ccc(F)c(c1)C#N
+O=S(=O)(Cl)c1ccc(OC)cc1CC(OCC)=O
+O=S(=O)(Cl)c1ccc(c(F)c1)Br
+O=S(=O)(Cl)c1ccc(cc1)-c2ccccc2
+O=S(=O)(Cl)c1ccc(cc1)Cl
+O=S(=O)(Cl)c1ccc(cc1)I
+O=S(=O)(Cl)c1ccc(cc1)OCC#CC
+O=S(=O)(Cl)c1ccc(cc1Cl)F
+O=S(=O)(Cl)c1ccc2ncsc2c1
+O=S(=O)(Cl)c1ccc2sc3ccccc3c2c1
+O=S(=O)(Cl)c1cccc(C#N)c1
+O=S(=O)(Cl)c1cccc(C)c1
+O=S(=O)(Cl)c1cccc(F)c1
+O=S(=O)(Cl)c1cccc(OC)c1
+O=S(=O)(Cl)c1cccc(S(=O)(=O)Cl)c1
+O=S(=O)(Cl)c1cccc(c1C)Cl
+O=S(=O)(Cl)c1cccc2c1cccc2
+O=S(=O)(Cl)c1cccc2c1nccc2
+O=S(=O)(Cl)c1cccc2cnccc12
+O=S(=O)(Cl)c1cccc2nsnc12
+O=S(=O)(Cl)c1ccccc1Cl
+O=S(=O)(Cl)c1ccccc1[N+](=O)[O-]
+O=S(=O)(Cl)c1cccnc1
+O=S(=O)(Cl)c1cccnc1Cl
+O=S(=O)(Cl)c1cccs1
+O=S(=O)(Cl)c1ccn2c(ccn2)c1
+O=S(=O)(Cl)c1csc2ncccc12
+O=S(=O)(Cl)c1ncccc1
+O=S(=O)(Cl)c1oc2c(c1)cccc2
+O=S(=O)(Cl)c1sc(Cl)c(Br)c1
+O=S(=O)(Cl)c1sc(Cl)cc1
+O=S(=O)(Cl)c1sc(c(Cl)c1)Cl
+O=S(=O)(Cl)c1sc2cc(ccc2c1)Cl
+O=S(=O)(N(C)C)Cl
+O=S(=O)(N(C)C)c1cc(c(cc1)N)O
+O=S(=O)(N(CC(O)=O)c1c(cccc1)OC)c2ccccc2C
+O=S(=O)(N(CC1COC(C)(C)O1)c2cc(nc(Cl)n2)C(=O)OC)C
+O=S(=O)(N(COC)c1cccc(-c2n[nH]cc2Br)c1F)c3c(F)ccc(F)c3
+O=S(=O)(N(COC)c1cccc(C(CBr)=O)c1F)c2c(F)ccc(F)c2
+O=S(=O)(N(Cc1c(-c2ccccc2)ccc(C(=O)OCC)c1)CC)c3c(cccc3)[N+]([O-])=O
+O=S(=O)(N(Cc1c(Cl)c(sc1)C(OC)=O)C)c2ccc(cc2)Cl
+O=S(=O)(N(c1c2cccnc2c(O)c(C(OC)=O)n1)C)c3ncn(C)c3
+O=S(=O)(N(c1cc(C(OC)=O)cc(Cl)n1)C)C
+O=S(=O)(N(c1ccc(F)c(C(=O)OC)c1F)C)CCC
+O=S(=O)(N(c1cccc2c1[nH]c(-c3sc(cn3)CO)c2)C)c4cccs4
+O=S(=O)(N)C
+O=S(=O)(N)CC
+O=S(=O)(N)CC(C)(C)COC(=O)C
+O=S(=O)(N)CCCOC
+O=S(=O)(N)Cc1ccc(F)cc1F
+O=S(=O)(N)c1c(Cl)c(cc(C(O)=O)c1)S
+O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2ccco2
+O=S(=O)(N)c1c(S(=O)(=O)N)cccc1
+O=S(=O)(N)c1c(cc(N)cc1)Cl
+O=S(=O)(N)c1c2c(nn1C)cccc2O
+O=S(=O)(N)c1cc(Br)c(cc1)C
+O=S(=O)(N)c1cc(Br)cnc1
+O=S(=O)(N)c1cc(C)ccc1N
+O=S(=O)(N)c1cc(C)sc1
+O=S(=O)(N)c1cc([N+]([O-])=O)c(cc1)F
+O=S(=O)(N)c1cc(c(N)cc1)Cl
+O=S(=O)(N)c1cc(c(cc1)OC)C(=O)NCC2CCCN2CC
+O=S(=O)(N)c1cc(ccc1)Br
+O=S(=O)(N)c1cc(ccc1N)C#N
+O=S(=O)(N)c1cc(ccc1OC)CCCl
+O=S(=O)(N)c1cc2c(OCCC2CNC(N3CC(=C(CC)C3=O)C)=O)cc1OC
+O=S(=O)(N)c1ccc(Cl)s1
+O=S(=O)(N)c1ccc(OC(C)C)c(N=C=S)c1
+O=S(=O)(N)c1ccc(c(c1)[N+]([O-])=O)Cl
+O=S(=O)(N)c1cccc(n1)Br
+O=S(=O)(N)c1cccc2c1ccc(N)c2N
+O=S(=O)(N)c1ccccc1N
+O=S(=O)(N)c1ccccc1SC
+O=S(=O)(N)c1cscc1C
+O=S(=O)(N)c1ncc(C(C)C)cc1
+O=S(=O)(N)c1ncc(cc1)C
+O=S(=O)(N1C(C(=O)OCc2ccccc2)CC(C1)O)c3ccc4ccccc4c3
+O=S(=O)(N1C(C(N(CC1)C(Cc2cc3ccccc3cc2)C(OC)=O)=O)CC)c4c([N+](=O)[O-])cccc4
+O=S(=O)(N1C(C(NC=C1)=O)CC(=O)O)c2ccc(cc2)C
+O=S(=O)(N1C(C(NC=C1)=O)CC(O)=O)c2cc(C)c(Cl)cc2C
+O=S(=O)(N1C=CNC(C1CC#C)=O)c2cc(Cl)c(Cl)cc2
+O=S(=O)(N1CC(C)Nc2ccc(Br)cc12)c3ccc(cc3)C
+O=S(=O)(N1CCC2(OCCO2)CC1)N
+O=S(=O)(N1CCCc2ccccc12)c3cc(c(Cl)cc3)N4C(c5c(cccc5C(OC)=O)NC4=O)=O
+O=S(=O)(N1CCNCC1=O)c2sc3ccccc3n2
+O=S(=O)(N1CCOCC1)c2c(C)ccc(N)c2
+O=S(=O)(N1c2c(cnc(Br)c2)NC(C)C1)c3ccc(cc3)C
+O=S(=O)(N=C=O)Cl
+O=S(=O)(NC(C(C)C)C(=O)O)CC
+O=S(=O)(NC(CC)CNc1ccc(cc1C)C)c2c(cccc2)[N+]([O-])=O
+O=S(=O)(NC)CCCCI
+O=S(=O)(NC)Cc1ccc(cc1)N
+O=S(=O)(NC)Cl
+O=S(=O)(NC)c1c(N)cccc1
+O=S(=O)(NC1CC1)Cl
+O=S(=O)(NC1CC1)c2cccc(B(O)O)c2
+O=S(=O)(NC1CCC1)Cl
+O=S(=O)(NCC1=CC(C(OCc2ccccc2)=C(CO)O1)=O)c3cc(C)ccc3
+O=S(=O)(NCCCC)Cc1ccccc1
+O=S(=O)(NCCOC)N
+O=S(=O)(NCCc1c(OCOC)cc(cc1)-c2ccccc2S(=O)(=O)C)c3cc(ccc3OC)C#N
+O=S(=O)(Nc1c(Cl)nccn1)c2ccccc2Cl
+O=S(=O)(Nc1c(F)cc(cc1C#C)CN)C
+O=S(=O)(Nc1cc(N)ccc1)C
+O=S(=O)(Nc1cc(O)ccc1)N(C)C
+O=S(=O)(Nc1cc(ccc1O)C(=O)OC)c2c(ccc(Cl)c2)OC
+O=S(=O)(Nc1ccc(c(O)c1)C(OC)=O)c2cc(c(s2)Cl)Br
+O=S(=O)(Nc1ccc2c(c(Cl)cnc2)c1)c3ccccc3
+O=S(=O)(Nc1ccc2c(c1C(=O)OC)OCC3CC23)c4c(cc(F)cc4)CN
+O=S(=O)(Nc1ccc2c(c1C(O)=O)CCCC2)c3c(cccc3)[N+](=O)[O-]
+O=S(=O)(Nc1cccc(C(=O)OCC)c1)c2ccc(cc2)-c3c(Cl)cc(Cl)cc3
+O=S(=O)(O)C
+O=S(=O)(O)Cc1ccc(cc1)Cc2ccc(cc2)[N+]([O-])=O
+O=S(=O)(O)Cl
+O=S(=O)(O)N
+O=S(=O)(O)N1C(=O)C(N)C1COC(N)=O
+O=S(=O)(O)N1C2C(C1=O)NCC2
+O=S(=O)(O)O
+O=S(=O)(O)OC
+O=S(=O)(O)ON=O
+O=S(=O)(O)c1c(ccc([N+](=O)[O-])c1)Cl
+O=S(=O)(O)c1cc(CCOC(C)=O)c(c2ccccc12)Br
+O=S(=O)(O)c1ccc(c2c1cccc2)N
+O=S(=O)(O)c1ccc(cc1)O
+O=S(=O)(O)c1ccccc1C(=C)C
+O=S(=O)(OC)OC
+O=S(=O)(OC1CCC2(C(C1)CC(O)C3C2CC(C4(C)C(CCC34)C(CCC(OC)=O)C)O)C)C
+O=S(=O)(OCC)OCC
+O=S(=O)(OCC1CCCN(S(=O)(=O)C)C1)C
+O=S(=O)(OCC1CCN(c2ccccn2)C1)C
+O=S(=O)(OCC1CO1)c2cccc([N+]([O-])=O)c2
+O=S(=O)(OCC1OCCC1)c2ccc(cc2)C
+O=S(=O)(OCCC1C(F)(F)C1)C
+O=S(=O)(OCCCCOC)C
+O=S(=O)(OCCCCl)c1ccc(cc1)C
+O=S(=O)(OCCCn1c2ccccc2c(c1)C3=C(C(NC3=O)=O)c4cn(c5ccccc45)C)C
+O=S(=O)(OCCOCCOCCO)C
+O=S(=O)(OCCOCCOCCOCCN=[N+]=[N-])C
+O=S(=O)(OCCOCCOc1c(ccc(OCC(=O)OCC)c1CCC)C(C)=O)C
+O=S(=O)(OCCOS(=O)(=O)C)C
+O=S(=O)(OCCOc1c(cc(C2C(C#N)=C(NC=3CC(CC(=O)C2=3)CCC)C)cc1OCC)Br)C
+O=S(=O)(OCc1nc(C)ccc1)C
+O=S(=O)(ON)O
+O=S(=O)(Oc1c(NC(=O)c2cccc3[nH]ccc23)cccc1)c4ccc(cc4)C
+O=S(=O)(Oc1ccc(cc1)CCO)C
+O=S(=O)(c1[nH]c(nn1)N)Nc2c(Cl)ccc(C)c2Cl
+O=S(=O)(c1[nH]c2c(CCCC2)n1)C
+O=S(=O)(c1c(-c2ccc(c(c2)F)N)cccc1)C
+O=S(=O)(c1c(Br)cc(F)cc1)Cl
+O=S(=O)(c1c(C#N)ccc(C)c1)Cl
+O=S(=O)(c1c(C(=O)OC)cccc1)N=C=O
+O=S(=O)(c1c(C(=O)OCC)cnn1C)N
+O=S(=O)(c1c(C)c(-c2nc(N)nc(C)c2Cc3c(cc(Br)cc3)OC)c(cc1C)C)O
+O=S(=O)(c1c(C)cccc1)Cl
+O=S(=O)(c1c(CC)cc(cc1)Br)Cl
+O=S(=O)(c1c(Cl)cc(Cl)cc1N)Cl
+O=S(=O)(c1c(Cl)ccc(N)c1)N
+O=S(=O)(c1c(Cl)ccc([N+]([O-])=O)c1Cl)N(C)C
+O=S(=O)(c1c(Cl)ccc(c1O)[N+]([O-])=O)N
+O=S(=O)(c1c(F)c(F)c(cc1)F)Cl
+O=S(=O)(c1c(F)cc(C=C([N+]([O-])=O)C)cc1)C
+O=S(=O)(c1c(F)cc(F)cc1)Cl
+O=S(=O)(c1c(F)ccc(C(=O)C)c1)Cl
+O=S(=O)(c1c(N)cccc1)c2ccccc2
+O=S(=O)(c1c(O)c(c(C(OC)=O)cc1)C)C
+O=S(=O)(c1c(c(Cl)c(cc1)C(=O)OC)C=O)C
+O=S(=O)(c1c(c(Cl)ccc1)Cl)Cl
+O=S(=O)(c1c(cc(F)c(F)c1)F)Cl
+O=S(=O)(c1c(cc(cc1)Cl)Cl)Cl
+O=S(=O)(c1c(ccc(Br)c1)C(OC)=O)C
+O=S(=O)(c1c(ccc(C(O)=O)c1)Br)Cl
+O=S(=O)(c1c(ccc(N)c1)C(OC)=O)N
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1)C)Cl
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1)Cl)Cl
+O=S(=O)(c1c(ccc([N+](=O)[O-])c1)N)N
+O=S(=O)(c1c(cccc1)C#N)Cl
+O=S(=O)(c1c(cccc1)C=O)O
+O=S(=O)(c1c(cccc1)Cl)N=C=O
+O=S(=O)(c1c(cccc1)N=C=O)F
+O=S(=O)(c1c(cccc1)OC)N(Cc2ccccc2C(=O)OC)C(Cc3ccccc3)CN4C(c5ccccc5C4=O)=O
+O=S(=O)(c1c(cccc1)[N+]([O-])=O)NCCC
+O=S(=O)(c1c(cccc1C)Cl)Nc2cc(Br)cnc2Cl
+O=S(=O)(c1c(cnc(-c2c3cc(cnc3n(S(=O)(=O)c4ccc(cc4)C)c2)Cl)n1)F)C
+O=S(=O)(c1c(nc(Cl)cc1)C)N(CC)CC
+O=S(=O)(c1c(nc(Cl)s1)C)Cl
+O=S(=O)(c1c(nccc1)O)NC(=O)c2ccc(nc2Cl)Cl
+O=S(=O)(c1c(sc(c1)Cl)Cl)Cl
+O=S(=O)(c1c(scc1)C(=O)OC)Cl
+O=S(=O)(c1c2-c3n(ncc3CCc2c(s1)C(=O)OCC)C)C
+O=S(=O)(c1c2c([nH]c1C(N)=O)c([N+]([O-])=O)ccc2)N3CCOCC3
+O=S(=O)(c1c2c(c(C)cc1)cccc2)Cl
+O=S(=O)(c1c2c(cccn2)ccc1)N3Cc4c(COCC3CC(O)=O)cccc4
+O=S(=O)(c1c2c(nccc2)cc(c1)-c3c(noc3C)C)Cl
+O=S(=O)(c1c2ccccc2ccc1)CCl
+O=S(=O)(c1c[nH]c2nc(-c3cc(c(OC)cc3)F)nc(C)c12)C
+O=S(=O)(c1cc(-c2cnc(O)c3[nH]c4ncc(cc4c23)C)ccc1)CC
+O=S(=O)(c1cc(Br)ccc1C(O)=O)C
+O=S(=O)(c1cc(Br)ccc1Cl)Cl
+O=S(=O)(c1cc(C(=O)N)ccc1OC)Cl
+O=S(=O)(c1cc(C(=O)O)c(F)cc1)C
+O=S(=O)(c1cc(C(=O)O)ccc1Cl)N
+O=S(=O)(c1cc(C(=O)OC)ccc1)n2c(-c3ccccc3)cc(c2)C=O
+O=S(=O)(c1cc(C(=O)OCC)ccc1)Cl
+O=S(=O)(c1cc(C(C)=O)ccc1)Cl
+O=S(=O)(c1cc(C(O)=O)c(F)cc1)N
+O=S(=O)(c1cc(C(O)=O)c(cc1)Br)Cl
+O=S(=O)(c1cc(C(O)=O)ccc1)C
+O=S(=O)(c1cc(C(OC)=O)ccc1)Cl
+O=S(=O)(c1cc(C)c(s1)CCOC(=O)C)Cl
+O=S(=O)(c1cc(Cl)c(cc1)F)C
+O=S(=O)(c1cc(F)c(c(c1)F)Br)Cl
+O=S(=O)(c1cc(F)c(cc1)F)Cl
+O=S(=O)(c1cc(F)c(cc1)N2CCNCC2)C
+O=S(=O)(c1cc(F)ccc1C)Cl
+O=S(=O)(c1cc(F)ccc1F)Cl
+O=S(=O)(c1cc(c(Br)s1)-c2c(C)nc(NC(C)=O)s2)Cl
+O=S(=O)(c1cc(c(Cl)cc1)[N+]([O-])=O)Cl
+O=S(=O)(c1cc(c(F)cc1)[N+]([O-])=O)C
+O=S(=O)(c1cc(c(N)c(c1)N)Br)c2c(SC)sc(c2)C(OC)=O
+O=S(=O)(c1cc(c(N)cc1)F)C
+O=S(=O)(c1cc(c(c(F)c1)C(OC)=O)O)C
+O=S(=O)(c1cc(c(cc1[N+](=O)[O-])F)C)O
+O=S(=O)(c1cc(c(nc1)Cl)Br)Cl
+O=S(=O)(c1cc(cc(OC)c1)Br)CCC
+O=S(=O)(c1cc(ccc1)Br)c2ccc(nc2)C=Cc3ccc(cc3F)F
+O=S(=O)(c1cc(ccc1)C)N2c3c(ncc(C(=O)OC)c3)CCC2
+O=S(=O)(c1cc(ccc1)CC(=O)O)C
+O=S(=O)(c1cc(ccc1)OC)Cc2ccc(Br)c(c2C(OC)=O)OC
+O=S(=O)(c1cc(ccc1)OC)N
+O=S(=O)(c1cc(ccc1)[N+](=O)[O-])Cl
+O=S(=O)(c1cc(ccc1)[N+]([O-])=O)N
+O=S(=O)(c1cc(ccc1OC)Oc2c(cc(cc2Cl)[N+](=O)[O-])Cl)Cl
+O=S(=O)(c1cc2C(CCc2cc1)=O)C
+O=S(=O)(c1cc2CCN(c2cc1)C(C)=O)Cl
+O=S(=O)(c1cc2OCCN(c2cc1)C)Cl
+O=S(=O)(c1cc2c(C)c[nH]c2cc1)C
+O=S(=O)(c1cc2c(cc1)NC(=O)C2)CC
+O=S(=O)(c1cc2c(cc1)cc(Cl)cc2)Cl
+O=S(=O)(c1cc2c(cc1)cccc2)Cl
+O=S(=O)(c1cc2c(ccc(COC)c2)s1)N
+O=S(=O)(c1cc2c(ccc(c2)C(=O)O)cc1)C
+O=S(=O)(c1ccc(-c2c(nc(NC(=O)N)s2)C)cc1F)C
+O=S(=O)(c1ccc(Br)s1)NC(C(=O)O)Cc2c[nH]c3c2cccc3
+O=S(=O)(c1ccc(C(=O)O)c(N)c1)C
+O=S(=O)(c1ccc(C(OC)=O)c(C)c1C=2CCON=2)C
+O=S(=O)(c1ccc(Cl)c(c1)C(O)=O)NCC2CC2
+O=S(=O)(c1ccc(F)c(C)c1)C
+O=S(=O)(c1ccc(NC(CCCc2ccc(cc2)Br)=O)cc1C#N)CC
+O=S(=O)(c1ccc(NN)cn1)N
+O=S(=O)(c1ccc(O)c(c1)F)C
+O=S(=O)(c1ccc(OCC2CC2)c(c1)Br)C
+O=S(=O)(c1ccc(c(C)c1)B(O)O)N(C)C
+O=S(=O)(c1ccc(c(C)c1)N)N
+O=S(=O)(c1ccc(c(F)c1)F)C
+O=S(=O)(c1ccc(c(O)c1)C(O)=O)Cl
+O=S(=O)(c1ccc(c(c1)F)C(=O)O)C
+O=S(=O)(c1ccc(c(c1)OC)OC)Cl
+O=S(=O)(c1ccc(cc1)-c2c(sc(N)n2)Cl)N
+O=S(=O)(c1ccc(cc1)-n2c(-c3ccc(cc3)F)cnc2)C
+O=S(=O)(c1ccc(cc1)-n2ncc3c(ncnc23)O)C
+O=S(=O)(c1ccc(cc1)Br)Cl
+O=S(=O)(c1ccc(cc1)C(CNC)O)N
+O=S(=O)(c1ccc(cc1)C)N2C(C(NC=C2)=O)CC#C
+O=S(=O)(c1ccc(cc1)C)NC2C(C)(N=[N+]=[N-])CCC2
+O=S(=O)(c1ccc(cc1)C)OCC(COS(=O)(=O)c2ccc(cc2)C)(O)C(F)(F)F
+O=S(=O)(c1ccc(cc1)C)OCC2(CCCCC2)C
+O=S(=O)(c1ccc(cc1)C)OCC2CN(C)c3ccccc3O2
+O=S(=O)(c1ccc(cc1)C)OCC2CO2
+O=S(=O)(c1ccc(cc1)C)OCC2OC(N(Cc3ccc(cc3)F)C2)=O
+O=S(=O)(c1ccc(cc1)C)OCCC#C
+O=S(=O)(c1ccc(cc1)CCCCCCCCCCCC)Cl
+O=S(=O)(c1ccc(cc1)Cl)NC(c2ccccc2)CC
+O=S(=O)(c1ccc(cc1)Cl)NC2C(C)CCCC2
+O=S(=O)(c1ccc(cc1)F)N(CC(=O)O)C
+O=S(=O)(c1ccc(cc1)F)c2ccc(cc2)[N+](=O)[O-]
+O=S(=O)(c1ccc(cc1)F)c2ccccc2C=O
+O=S(=O)(c1ccc(cc1)I)C
+O=S(=O)(c1ccc(cc1)N)F
+O=S(=O)(c1ccc(cc1)OCc2c3c(nc(c2)C)cccc3)Cl
+O=S(=O)(c1ccc(cc1)S(=O)(=O)C)Cl
+O=S(=O)(c1ccc(cc1Cl)C#N)Cl
+O=S(=O)(c1ccc(cc1OC)OC)Cl
+O=S(=O)(c1ccc(cc1[N+]([O-])=O)C)O
+O=S(=O)(c1ccc(nc1)Cl)Cl
+O=S(=O)(c1ccc2c(nccc2c1)Cl)Cl
+O=S(=O)(c1ccc2ccccc2c1)N
+O=S(=O)(c1ccc2ccn(C)c2c1)Cl
+O=S(=O)(c1ccc2nc(N)sc2c1)C
+O=S(=O)(c1ccc2ncnc(O)c2c1)O
+O=S(=O)(c1cccc(Br)c1)Cl
+O=S(=O)(c1cccc(Br)c1)c2c(sc(c2)C(N)=N)SC
+O=S(=O)(c1cccc(C(O)=O)c1)Cl
+O=S(=O)(c1cccc(C=CC(=O)OC)c1)O
+O=S(=O)(c1cccc(Cl)c1)c2ccc3c(CCCC3=O)c2
+O=S(=O)(c1cccc(N)c1)F
+O=S(=O)(c1cccc([N+]([O-])=O)c1)O
+O=S(=O)(c1cccc(c1)Br)CCCO
+O=S(=O)(c1cccc(c1)Cl)Cl
+O=S(=O)(c1cccc(c1)N2C(=O)c3c(NC2=O)csc3C(O)=O)N4c5ccccc5CCC4
+O=S(=O)(c1ccccc1)C(C2=CC(C(OCc3ccccc3)=C(C(O)=O)N2C)=O)N
+O=S(=O)(c1ccccc1)Cc2ccc(Br)c(c2C(OCC)=O)OC
+O=S(=O)(c1ccccc1)N(S(=O)(=O)c2ccccc2)F
+O=S(=O)(c1ccccc1)N2C(CNCC2)C
+O=S(=O)(c1ccccc1)n2c(-c3occn3)cc4nc(Cl)ccc24
+O=S(=O)(c1ccccc1)n2c3c(c(Br)c2)cccc3
+O=S(=O)(c1ccccc1)n2c3ncc(Cl)cc3c4c2ccc(c4)C=O
+O=S(=O)(c1ccccc1)n2ccc(C=C[N+](=O)[O-])c2
+O=S(=O)(c1ccccc1C)N
+O=S(=O)(c1ccccc1C)NN=C(C(Cl)Cl)C
+O=S(=O)(c1ccccc1F)Nc2c(c3OCC4CC4c3cc2)C(OC)=O
+O=S(=O)(c1ccccc1OC)N(C)c2c3[nH]c(C(O)=O)cc3ccc2
+O=S(=O)(c1ccccc1S(=O)(=O)C(C)C)N
+O=S(=O)(c1ccccc1S(=O)(=O)C)Cl
+O=S(=O)(c1ccccc1[N+](=O)[O-])N2CC2C3CC(C(=O)O3)C
+O=S(=O)(c1ccccc1[N+](=O)[O-])N2CC2C3OC(=O)C(C3)CC
+O=S(=O)(c1ccccc1[N+]([O-])=O)NCCc2cnccc2
+O=S(=O)(c1ccccn1)Nc2c3n(COC)c(cc3ccc2)C(=O)OCC
+O=S(=O)(c1cccnc1C(O)=O)CC
+O=S(=O)(c1ccco1)Cl
+O=S(=O)(c1cccs1)N(c2ccc(C)c3cc(C(=O)O)[nH]c23)C
+O=S(=O)(c1cccs1)N(c2cccc3c2[nH]c(C(OCC)=O)c3)C
+O=S(=O)(c1ccoc1)Cl
+O=S(=O)(c1cnc(Cl)cc1)c2c(F)cccc2
+O=S(=O)(c1cnc(F)cc1)C
+O=S(=O)(c1cnc(Oc2cc3cc(C(OCC)=O)[nH]c3c(OS(=O)(=O)C)c2)cc1)C
+O=S(=O)(c1cnc(c(c1)Cl)Cl)N
+O=S(=O)(c1cnccc1)n2cc(C=O)c3ccc(C(OC)=O)cc23
+O=S(=O)(c1nc(-n2c(C)nc3ccc(F)cc23)cc(n1)Cl)C
+O=S(=O)(c1nc(-n2cnc3c2cccc3)ccn1)C
+O=S(=O)(c1nc(CCc2c(cccc2)CC(OC)=O)ccn1)C
+O=S(=O)(c1ncc(Oc2cc(-c3ccc(C(OCc4ccccc4)=O)[nH]3)cc(c2)OC(COC)C)cc1)C
+O=S(=O)(c1ncc(c(n1)N)C(c2ccccc2OC)=O)CC
+O=S(=O)(c1ncc2C=C(Br)C(=O)N(C)c2n1)C
+O=S(=O)(c1ncc2c(c(ncc2)Cl)n1)C
+O=S(=O)(c1ncc2c(n1)NC(=O)N(c3c(cccc3)Cl)C2)C
+O=S(=O)(c1ncc[nH]1)C
+O=S(=O)(c1ncn(C)c1)Cl
+O=S(=O)(c1nn(cc1)C)Cl
+O=S(=O)(c1nn2c(n1)c(ccc2Cl)OC)Cl
+O=S(=O)(c1nnc(-c2ccnc(OC)c2)n1C)C
+O=S(=O)(c1nnc(s1)N)C
+O=S(=O)(c1sc2c(cccc2)c1)Cl
+O=S(=O)(n1c2c(C)ccnc2cc1)c3ccccc3
+O=S(=O)(n1c2c(cc1)cc(cc2)C=CC(=O)OC)c3sc(Br)cc3
+O=S(=O)(n1c2cc(ccc2c(-c3ccc(c(N)c3)N)c1)F)c4ccccc4
+O=S(=O)(n1cc(cc1Br)C(=O)OC)c2ccccc2
+O=S(CSC)C
+O=S1(=O)C(c2sc(-c3ccc(cc3)-c4cnco4)cc2)(CC(=O)NOC5OCCCC5)CCNCC1
+O=S1(=O)CC(CC1)C(O)=O
+O=S1(=O)CC(CC1)N
+O=S1(=O)CC(CC1)Nc2c(cc(cc2)Cl)F
+O=S1(=O)CC(CN1CC)COCc2ccccc2
+O=S1(=O)CCC(C1)c2c3c(c(cc(c3)Br)C(OCC)=O)[nH]c2
+O=S1(=O)CCC(c2cc(c(cc2)Br)C)=CC1
+O=S1(=O)CCCN1
+O=S1(=O)CCN(CC1)C(Cl)=O
+O=S1(=O)Cc2ccccc2N1
+O=S1(=O)N(C(C)C)C(C(O)=C1c2ccccc2)=O
+O=S1(=O)N(CC(c2[nH]ccc12)=O)C
+O=S1(=O)N(c2cc(F)ccc2)C3(CCN(C(=O)OCc4ccccc4)C(C3)C)CN1
+O=S1(=O)N=C(C(OC)=N1)OC
+O=S1(=O)NC(=O)CN1c2c(cc3ccc(Br)cc3c2)O
+O=S1(=O)NCC(CN1)c2cc(Br)c(N)cc2
+O=S1(=O)NCCC(c2n(ccc12)C)=O
+O=S1(=O)NCCNCC1
+O=S1(=O)Nc2cccc(OCC3CNCCC3)c2C(N)=N1
+O=S1(=O)c2c(NC(N1c3ccc(cc3)Cl)=O)cc(OC)cc2
+O=S1(=O)c2c(cc(c(CCC(=O)OCC)c2)OC)C(c3ccccc3)NC(CC)(C1)CCCC
+O=S1(=O)c2c(cc(c(c2C(CC1)O)C)C(O)=O)C
+O=S1(=O)c2c(ccc(c2)C(O)=O)C(=O)c3cc(ccc13)F
+O=S1(=O)c2cc(N)ccc2N(C3CCC3)C=N1
+O=S1(=O)c2cc(ccc2NC(=N1)CC(=O)O)I
+O=S=O
+O=[Mn](=O)(=O)O
+O=[N+]([O-])c1c(cc2CCCc2c1)NC(=O)C
+O=[N+]([O-])c1cc(O)ccc1NC(=O)COc2cc(ccc2)OCC
+O=[N+]([O-])c1cc(c(cc1[N+](=O)[O-])C(=O)O)Cl
+O=[N+]([O-])c1cc(cc([N+](=O)[O-])c1)S
+O=[N+](c1c2ccccc2c(CC(=O)OCC)c(c1)[N+](=O)[O-])[O-]
+O=[N+](c1cc(C(CCCCCl)=O)c(cc1OC)OC)[O-]
+O=[N+](c1cccc([N+](=O)[O-])c1C#N)[O-]
+O=[N+]=O
+O=[Os](=O)(=O)=O
+O=[Se]=O
+OB(O)C
+OB(O)C(=C)C
+OB(O)C1CC1
+OB(O)C=1CCCC=1
+OB(O)C=1CCCCC=1
+OB(O)C=Cc1ccc(cc1)Cl
+OB(O)C=Cc1ccccc1
+OB(O)CC(C)C
+OB(O)CCC
+OB(O)CCCCBr
+OB(O)Oc1c(OC)cc(cc1C)C
+OB(O)Oc1cc(C#N)c(F)cc1
+OB(O)Oc1cc(c(cc1)OCc2ccccc2)C#N
+OB(O)Oc1ccc(OC)cc1Cl
+OB(O)Oc1ccc(c(F)c1)OCC
+OB(O)Oc1ccc(c(c1)OC)OC
+OB(O)Oc1ccc(cc1)OCCOCCCC
+OB(O)Oc1cccc(OC)c1
+OB(O)c1c(C(O)=O)cccc1
+OB(O)c1c(C)c(Br)ccc1
+OB(O)c1c(C)cc(OC)cc1
+OB(O)c1c(C)ccc(F)c1
+OB(O)c1c(C)cccc1
+OB(O)c1c(C)onc1C
+OB(O)c1c(C=O)ccc(OC)c1
+OB(O)c1c(C=O)cccc1
+OB(O)c1c(CC)cccc1
+OB(O)c1c(Cl)c(ccc1)Cl
+OB(O)c1c(Cl)ccc(Cl)c1
+OB(O)c1c(Cl)ccc(OC)c1
+OB(O)c1c(Cl)cccc1Cl
+OB(O)c1c(Cl)nccc1
+OB(O)c1c(F)c(OC)c(Br)cc1
+OB(O)c1c(F)c(c(OCc2ccccc2)cc1)F
+OB(O)c1c(F)c(ccc1)Cl
+OB(O)c1c(F)cc(Cl)c(OC)c1
+OB(O)c1c(F)cc(Cl)cc1
+OB(O)c1c(F)cc(OC)c(F)c1
+OB(O)c1c(F)ccc(OCC)c1
+OB(O)c1c(F)ccc(OCc2ccccc2)c1F
+OB(O)c1c(F)ccc(c1)C#N
+OB(O)c1c(F)ccc(c1)C=O
+OB(O)c1c(F)ncc(Cl)c1
+OB(O)c1c(F)ncc(c1)Br
+OB(O)c1c(F)nccc1
+OB(O)c1c(N)cccc1
+OB(O)c1c(O)ccc(Cl)c1
+OB(O)c1c(OC)c(Cl)ccc1
+OB(O)c1c(OC)cc(F)c(F)c1
+OB(O)c1c(OC)cc(cc1)F
+OB(O)c1c(OC)ccc(Br)c1
+OB(O)c1c(SC)cccc1
+OB(O)c1c(c(C)ccc1)C
+OB(O)c1c(c(c(cc1)F)F)F
+OB(O)c1c(c(ccc1)OC)F
+OB(O)c1c(c(ccc1)OC)O
+OB(O)c1c(cc(C(O)=O)cc1)Cl
+OB(O)c1c(cc(Cl)cc1)C
+OB(O)c1c(cc(F)nc1)C
+OB(O)c1c(cc(OCc2ccccc2)cc1)C
+OB(O)c1c(cc(c(F)c1)C)F
+OB(O)c1c(cc(cc1)C#N)C
+OB(O)c1c(cc(cc1)C(CC)=O)C
+OB(O)c1c(cc(cc1)Cl)Cl
+OB(O)c1c(cc(cc1)OC)Cl
+OB(O)c1c(cc(cc1)OC)F
+OB(O)c1c(ccc(Cl)c1)OCC
+OB(O)c1c(ccc(F)c1)F
+OB(O)c1c(ccc(c1)C)C
+OB(O)c1c(ccc(c1)Cl)OC(C(=O)O)C
+OB(O)c1c(cccc1)Br
+OB(O)c1c(cccc1)Cl
+OB(O)c1c(cccc1)O
+OB(O)c1c(cccc1)OC
+OB(O)c1c(cccc1)OCC
+OB(O)c1c(cccc1F)OC
+OB(O)c1c(cccc1OC)Cl
+OB(O)c1c(ccnc1)C
+OB(O)c1c(cnc(F)c1)Cl
+OB(O)c1c(nc(nc1)OC)OC
+OB(O)c1c(nccc1)OC
+OB(O)c1c2c(c3ccccc3s2)ccc1
+OB(O)c1c2c(ccc1C)nccc2
+OB(O)c1c2c(sc1)cccc2
+OB(O)c1c2cc[nH]c2ccc1
+OB(O)c1c[nH]nc1
+OB(O)c1cc(Br)ccc1
+OB(O)c1cc(C#N)cc(F)c1
+OB(O)c1cc(C#N)ccc1
+OB(O)c1cc(C)c(OC)cc1
+OB(O)c1cc(C)c(c(C)c1)F
+OB(O)c1cc(C=O)c(F)cc1
+OB(O)c1cc(Cl)c(C(OC)=O)cc1
+OB(O)c1cc(Cl)c(F)cc1
+OB(O)c1cc(Cl)cc2c1CC(C)(C)O2
+OB(O)c1cc(F)c(c(F)c1)F
+OB(O)c1cc(F)c(cc1)C=O
+OB(O)c1cc(F)ccc1OC
+OB(O)c1cc(N(C)C)ccc1
+OB(O)c1cc(O)cc(c1)F
+OB(O)c1cc(OC)c(c(c1)OC)OC
+OB(O)c1cc(OC)c(cc1)Cl
+OB(O)c1cc(OC)cc(c1)F
+OB(O)c1cc(OC)cc(c1)OC
+OB(O)c1cc(OC)ccc1
+OB(O)c1cc(OC)ccc1F
+OB(O)c1cc(OC)ncc1
+OB(O)c1cc(c(C(NC)=O)cc1)Cl
+OB(O)c1cc(c(C)cc1)N
+OB(O)c1cc(c(Cl)cc1)C(=O)OC
+OB(O)c1cc(c(Cl)cc1)F
+OB(O)c1cc(c(F)cc1F)F
+OB(O)c1cc(c(OC)cc1)C=O
+OB(O)c1cc(c(cc1)F)C(=O)O
+OB(O)c1cc(c(cc1)OC)OC
+OB(O)c1cc(cc(OC)c1)Cl
+OB(O)c1cc(cc(c1)F)OCC(C)C
+OB(O)c1cc(ccc1)C(=O)O
+OB(O)c1cc(ccc1)CC#N
+OB(O)c1cc(ccc1)CO
+OB(O)c1cc(ccc1)F
+OB(O)c1cc(ccc1)NS(=O)(=O)CC
+OB(O)c1cc(ccc1C#N)Cl
+OB(O)c1cc(ccc1C)C(O)=O
+OB(O)c1cc(ccc1CO)F
+OB(O)c1cc(ccc1Cl)C#N
+OB(O)c1cc(ccc1F)Cl
+OB(O)c1cc(ccc1O)F
+OB(O)c1cc(ccc1OC)C(C)C
+OB(O)c1cc(ccc1OC)C=O
+OB(O)c1cc(ccc1OC)Cl
+OB(O)c1cc(ccc1OC)OC
+OB(O)c1cc(cnc1)S(=O)(=O)C
+OB(O)c1cc(cnc1F)OCCOC
+OB(O)c1cc(ncc1Cl)Cl
+OB(O)c1cc(nn1C)-c2ccco2
+OB(O)c1cc2C(C)(C)OC(=O)Nc2cc1
+OB(O)c1cc2CCOc2cc1
+OB(O)c1cc2CNCCOc2cc1
+OB(O)c1cc2OCOc2cc1
+OB(O)c1cc2c(c3c1cccc3)cccc2
+OB(O)c1cc2c(cc1)cc(OCC)cc2
+OB(O)c1cc2c(occ2)cc1
+OB(O)c1cc2cc[nH]c2cc1
+OB(O)c1cc2ccc(OC)cc2cc1
+OB(O)c1ccc(C#N)n1C
+OB(O)c1ccc(C(=O)NCc2ccccc2)c(F)c1
+OB(O)c1ccc(C(=O)OC)c(F)c1
+OB(O)c1ccc(C(C)=O)s1
+OB(O)c1ccc(C(O)=O)s1
+OB(O)c1ccc(C(OC)=O)cc1F
+OB(O)c1ccc(C(OCC)=O)c(F)c1
+OB(O)c1ccc(C)cc1C
+OB(O)c1ccc(Cl)c(C(=O)O)c1
+OB(O)c1ccc(Cl)c(C(=O)OCC)c1
+OB(O)c1ccc(Cl)c(Cl)c1
+OB(O)c1ccc(Cl)c(N)c1
+OB(O)c1ccc(Cl)s1
+OB(O)c1ccc(F)c(C(Nc2ccccc2)=O)c1
+OB(O)c1ccc(F)c(c1)C
+OB(O)c1ccc(F)c(c1)F
+OB(O)c1ccc(F)cc1F
+OB(O)c1ccc(OC)c(c1)F
+OB(O)c1ccc(c(C#N)c1)F
+OB(O)c1ccc(c(C)c1)C
+OB(O)c1ccc(c(Cl)c1)OC
+OB(O)c1ccc(c(F)c1)C#N
+OB(O)c1ccc(c(F)c1)O
+OB(O)c1ccc(c(F)c1F)CCCCCCCC
+OB(O)c1ccc(c(F)c1F)OCC
+OB(O)c1ccc(c(c1)[N+](=O)[O-])F
+OB(O)c1ccc(cc1)-c2ccc(cc2)CCCC
+OB(O)c1ccc(cc1)NC(=O)C
+OB(O)c1ccc(cc1)NS(=O)(=O)C
+OB(O)c1ccc(cc1)O
+OB(O)c1ccc(cc1)OC
+OB(O)c1ccc(cc1)OC(C)C
+OB(O)c1ccc(cc1)Oc2ccccc2
+OB(O)c1ccc(cc1)S(=O)(=O)C
+OB(O)c1ccc(cc1)S(=O)(=O)C(C)C
+OB(O)c1ccc(cc1)S(=O)(=O)CCOC
+OB(O)c1ccc(cc1)S(=O)(=O)N
+OB(O)c1ccc(cc1)S(=O)(=O)NC
+OB(O)c1ccc(cc1)S(=O)C
+OB(O)c1ccc(cc1)SC
+OB(O)c1ccc(cc1)SC(C)C
+OB(O)c1ccc(cc1C)F
+OB(O)c1ccc(cc1C)OCOC
+OB(O)c1ccc(cc1C2CC2)OCc3ccccc3
+OB(O)c1ccc(cc1F)S(=O)(=O)C
+OB(O)c1ccc(cc1OC)OC
+OB(O)c1ccc(nc1)C
+OB(O)c1ccc2c(c1)OCCO2
+OB(O)c1ccc2c(cnn2C)c1
+OB(O)c1ccc2c(nccc2)c1
+OB(O)c1ccc2ccccc2c1
+OB(O)c1cccc(C(=O)C)c1
+OB(O)c1cccc(C(=O)OCC)c1
+OB(O)c1cccc(C(C)C)c1
+OB(O)c1cccc(C)c1
+OB(O)c1cccc(C=C)c1
+OB(O)c1cccc(C=O)c1
+OB(O)c1cccc(C=O)c1F
+OB(O)c1cccc(CCO)c1
+OB(O)c1cccc(Cl)c1
+OB(O)c1cccc(NC(=O)C)c1
+OB(O)c1cccc(S(=O)(=O)N(C)C)c1
+OB(O)c1cccc(SC)c1
+OB(O)c1cccc([N+](=O)[O-])c1
+OB(O)c1cccc(c1)N
+OB(O)c1cccc(c1)NS(=O)(=O)C
+OB(O)c1cccc(c1)O
+OB(O)c1cccc(c1)OCC
+OB(O)c1cccc(c1F)F
+OB(O)c1cccc2ccccc12
+OB(O)c1ccccc1-c2nnn[nH]2
+OB(O)c1ccccc1C#N
+OB(O)c1ccccc1C(=O)OC
+OB(O)c1ccccc1CO
+OB(O)c1ccccc1F
+OB(O)c1ccccc1S(=O)(=O)C
+OB(O)c1ccccc1[N+](=O)[O-]
+OB(O)c1ccn[nH]1
+OB(O)c1ccnc(Cl)c1
+OB(O)c1ccnc(c1)C
+OB(O)c1ccnc(c1)F
+OB(O)c1ccncc1C
+OB(O)c1ccncc1Cl
+OB(O)c1ccncc1F
+OB(O)c1ccoc1
+OB(O)c1ccsc1
+OB(O)c1cnc(Cl)cc1
+OB(O)c1cnc(F)cc1
+OB(O)c1cnc(N)cc1
+OB(O)c1cnc(OC)cc1
+OB(O)c1cnc(c(C)c1)F
+OB(O)c1cnc(cc1)C=O
+OB(O)c1cnc(cc1)OCCCCCCCC
+OB(O)c1cncc(C(OC)=O)c1
+OB(O)c1cncc(F)c1
+OB(O)c1cncc(OC)c1
+OB(O)c1cncc(c1)C
+OB(O)c1cncc2ccccc12
+OB(O)c1cnccc1
+OB(O)c1cncnc1
+OB(O)c1n(ncc1)C
+OB(O)c1ncccc1
+OB(O)c1oc(cc1)C
+OB(O)c1oc2ccccc2c1
+OB(O)c1occc1
+OB(O)c1sc(cc1)C=O
+OB(O)c1sc2c(cccc2)c1
+OB(O)c1sccc1
+OC(=O)C(O)=O
+OC(=O)C(O)C(C(O)=O)O
+OC(=O)C(O)c1ccccc1Cl
+OC(=O)C1C(CCCC1)C(NCC#N)=O
+OC(=O)C1CCCCC1C(=O)OC
+OC(=O)C=Cc1c(F)cc(Br)c(F)c1
+OC(=O)CC(CC(O)=O)(C(=O)O)O
+OC(=O)c1c(N)cc2ccccc2c1
+OC(=O)c1c([N+]([O-])=O)cc([N+](=O)[O-])c(Cl)c1
+OC(=O)c1cc2ccccc2[nH]1
+OC(C(=O)N)C
+OC(C(=O)O)C
+OC(C(=O)OC)C
+OC(C(=O)OC)CN
+OC(C(C(=O)OC)CC(C)=C)CCC
+OC(C(C(=O)OC)N)C
+OC(C(N)C(=O)O)C
+OC(C(N)CC)C
+OC(C(N)CO)C
+OC(C)=S
+OC(C)C#C
+OC(C)CN
+OC(C1(N(CC1)C(=O)Cc2c3c(cccc3)sc2)C)=O
+OC(C1C(N2C1C(C)C(SC=Cc3scnc3CO)=C2C(=O)O)=O)C
+OC(C=C)C
+OC(C=C)CC
+OC(CBr)C
+OC(CC#C)C
+OC(CC(=O)O)C
+OC(CC)Br
+OC(CC)C
+OC(CC)CN
+OC(CC=C)C
+OC(CCC)C
+OC(CCC)C#C
+OC(CCC)CN
+OC(CCCC)CC#C
+OC(CCCN)C(=O)O
+OC(CCCl)C
+OC(CCO)C
+OC(CCSC)C(=O)O
+OC(CCl)CC#N
+OC(CCl)c1cccn1C
+OC(CN)c1ccco1
+OC(CNC)c1ccco1
+OC(CO)CC(OCC)=O
+OC(CO)CCl
+OC(CO)CN
+OC(CO)CS
+OC(CO)Cc1[nH]ccn1
+OC(COC)C
+OC(COC)CC
+OC(COCC)CN
+OC(CON)C
+OC(Cn1c2c(nc1)N(C(=O)N(C2=O)C)C)=O
+OC(O)(C)OCC
+OC(O)=O
+OC(O)OC
+OC(O)OCC
+OC(c1cccnc1)CN
+OC(c1cccnc1N)C
+OC(c1ccsc1)CCCO
+OC(c1sc(C(=O)OCC)c2-c3ccccc3Oc4ccccc4-c12)=O
+OC12C(C)(C(CC#N)CC1)CCC3C2CCC4CC(OC(C)=O)CCC34C
+OC12CC3(CC(O)(CC(C1)C3)C2)N
+OC12CCC(C1(C)CCC3C2CCC4C3(CCC(O)C4)C)c5ccoc5
+OC12CCC(C1(C)CCC3C2CCC4CC(SCCO)CCC34C)c5ccoc5
+OC1=C(CN(C)C1=O)C(N(Cc2cc(c(cc2)Cl)Cl)C)=O
+OC1COc2c1ccc(c2)O
+OC1c2c(CCC1)cc(cc2)CO
+OC=1C=C(OC(C=1)=O)C
+OC=C(C(OCC)=O)Cl
+OC=O
+OCC(CO)(C)N
+OCC(CO)(NC(CCl)=O)c1cccc(Br)n1
+OCC(CO)([N+](=O)[O-])c1cc(Br)ccc1
+OCC(CO)(c1ccc(cc1)[N+](=O)[O-])O
+OCC(CO)CCC
+OCC(CO)CCCC
+OCC(CO)CO
+OCC(CO)N
+OCC(O)C(O)CO
+OCC(c1ccc(OC)cc1OC)CCCCC
+OCC1(CC1)CO
+OCC1(OCC(OC1)(CO)O)O
+OCC1CC(O)CN1
+OCC1CC=CCC1CO
+OCC1CN2C3=C(C=CC(N13)=O)N=CC2=O
+OCC1N(CCCCCCC(OC)=O)C(=O)CCC1
+OCC1NC(c2c(cccc2)C1)=O
+OCC1OC(C(O)C1O)N2C(=O)N=C(C=C2)N
+OCC1OC(C(O)C1O)n2c3c(c(nc(N)n3)O)nc2
+OCC1OC(C(O)C1O)n2c3nc(I)nc(N)c3nc2
+OCC1OC(N2C=C(C(NC2=O)=O)C)CC1O
+OCCC1Cc2c(CN1)cccc2
+OCCC=CCCCC
+OCCCCBr
+OCCCCC
+OCCCCCCO
+OCCCCCl
+OCCCCN
+OCCCCOC=C
+OCCCNCCN
+OCCO
+OCCOCCO
+OCCOCCOCCOCCOCCO
+OCCc1c([N+](=O)[O-])cc(N)c2ccccc12
+OCCc1cccc(F)c1
+OCCc1ncc2ccccc2c1
+OCc1c(F)c(ccc1F)F
+OCc1cc(I)ccc1
+OCc1cccc(F)c1
+OCc1cccc(n1)N
+OCc1cnccn1
+OCc1cocn1
+OCc1ncccc1
+OCl
+OCl=O
+ON
+ON=C(C(C)=O)C
+ON=C(C(OCC)=O)C#N
+ON=C(C(OCC)=O)Cl
+ON=C(C)Cl
+ON=C(Cl)C(CCl)=O
+ON=CC
+ON=O
+ONC
+OO
+OP(O)(CCCN)=O
+OP(O)(O)=O
+OP(O)CC
+OS(O)(=S)=O
+OS(O)=O
+O[PH2]=O
+Oc1c(Br)c(c(Br)cc1C(CBr)=O)O
+Oc1c(Br)cc(Br)nc1C(=O)OC
+Oc1c(C#N)cnn2c1cc(c2)Br
+Oc1c(C(CNCC(OC)=O)=O)cccc1[N+]([O-])=O
+Oc1c(CC(O)=O)cccc1
+Oc1c(NC(NCCN)=O)cccc1
+Oc1c(O)ccc(CC(=O)OCC)c1
+Oc1c(O)ccc(CCC(=O)O)c1
+Oc1c(c(Cl)c(N)cc1)Cl
+Oc1c(ccc(C(=O)OCC)c1)O
+Oc1c(ccc(c1)C(CCCC(=O)O)=O)O
+Oc1c(ccc(c1)C(c2c3ccccc3n(CCCC(OCC)=O)c2)=O)O
+Oc1c(cccc1)CCO
+Oc1c(cccc1)OC
+Oc1c(cccc1C)C(=O)O
+Oc1c(cccc1C)O
+Oc1c2CCCCc2c(cc1)C=O
+Oc1c2c(CCCC2)c(cc1)CC(OCC)C(=O)OCC
+Oc1c2c(ccc1)n(Cc3c(cccc3)Cl)c4c2c(C(OC)=O)ccc4
+Oc1c2c(ccc1)n(c3c2c(C(OC)=O)ccc3)Cc4c5ccccc5ccc4
+Oc1c2c(nc(-c3cc(ccc3)OC)n1)cccc2
+Oc1c2c(nc(-c3cc(ccc3)[N+]([O-])=O)n1)cccc2
+Oc1c2ccccc2cc(n1)C
+Oc1cc(Cl)ncn1
+Oc1cc(c(cc1C(=O)C)Cl)Cl
+Oc1cc(cc(O)c1)C
+Oc1cc(cc(O)c1)C(=O)OC
+Oc1cc(cc(O)c1Br)C(=O)O
+Oc1cc(ccc1O)C=O
+Oc1ccc(F)cc1C2(C(=O)N(c3ccccc23)CCCCC)O
+Oc1ccc2C(CCCCCCO)=C(CCCc2c1)c3cc(ccc3)O
+Oc1ccc2c(c1)CCCC2
+Oc1cccc(O)c1C
+Oc1ccccc1Br
+Oc1ccccc1C(CBr)=O
+Oc1ccccc1C(Cl)=O
+Oc1ccccc1NC(C)=O
+Oc1nc(c2cc(C(c3ccc4ncccc4c3)=O)ccc2n1)-c5cc(ccc5)Cl
+Oc1nc(nc2c1cccc2)CCl
+Oc1nc2c(C(CCC2)=O)cc1
+Oc1nc2c(cc1)cccc2O
+Oc1nc2c(cc1)ncc(c2)Br
+Oc1nc2ccccc2nc1
+Oc1ncc(C)cc1[N+](=O)[O-]
+Oc1ncc(cc1)C(=O)OC
+Oc1ncc2c(cccc2)c1
+S
+S(C)C(SC)=C(C#N)C#N
+S(C)C(SC)=NC#N
+S(C)c1c(cc(cc1)C(=O)OC)O
+S(C)c1cc(ccc1C(=O)O)F
+S(C)c1ccc(cc1C)O
+S(OO)(O)=O
+S(P(OCC)(O)=S)CC
+S(Sc1ncccc1)c2ncccc2
+S(c1c(N)c(Cl)ccc1)C
+S(c1c(cc(cc1)C)C(OC)=O)c2csc3ccccc23
+S(c1c(cccc1)Cl)C
+S(c1cc(Oc2c(nccc2)CC)c(C#N)nc1)c3ccccn3
+S(c1cc(c(N)nc1)Oc2c(C)n(C)nc2C)c3ccccn3
+S(c1cc(ccc1)C(=O)c2n(C)nnn2)C
+S(c1ccc(Cl)c(c1)C(=O)O)C
+S(c1ccc(c(F)c1)C#N)C
+S(c1ccc(cc1F)O)C
+S(c1ccc2OCCC(c2c1)(CCO)C)C
+S(c1ccc2c(c(ncn2)Cl)c1)C
+S(c1cnc(c(Oc2ccnn2CC)c1)N)c3ccccn3
+S(c1cnc(cc1)Cl)C
+S1C(=NC(C1)=O)SC
+S1C(CCCO)Oc2c(C)c(C)c(c(c12)C)O
+S1C=2N(C=C1C(=O)O)C(NC(C=2C)=O)=O
+S1CC(NC1)=O
+S1CNc2ccccc12
+S1P2(SP3(SP1(SP(S2)(S3)=S)=S)=S)=S
+S=C(NNC(=O)c1ccc2ccccc2c1)NC
+S=C(c1c(cccc1)Cl)N
+S=C1NN=C(C)N1N
+S=C1NN=NN1C
+S=C1NNC(N)=N1
+S=C=NCCCCC
+S=C=S
+SC
+SC#N
+SC(=O)C
+SC(CO)C
+SC(OCC)=S
+SCC(=O)N
+SCC(=O)O
+SCC(=O)OC
+SCC(N)C(=O)O
+SCCS
+Sc1c(cccc1C)C(=O)O
+Sc1cccc(F)c1
+Sc1ccccc1OC
+Sc1nccc(C)n1
+[C-]#N.[Cu+]
+[C-]#[N+]CC(=O)OC
+[Cu]Br
+[Cu]Cl
+[Cu]I
+[K]ON
+[Li]C
+[Mg+]C
+[Mg]
+[Mg](Br)C#CC
+[Mg](C)Br
+[Mg](CCCCCC)Br
+[N+](=N)=[N-]
+[N+](=NC1CC(C(=O)OC)NC1)=[N-]
+[N+](=NC1CCNCC1O)=[N-]
+[N+](=O)([O-])O
+[N+](=O)([O-])c1cc(O)c2ccccc2c1CC(=O)OCC
+[N+](=O)([O-])c1ccc(c2ccccc12)F
+[N+](=O)(c1cc(cc([N+](=O)[O-])c1C)C(=O)O)[O-]
+[N+](C)(=O)[O-]
+[N+](C1CCC(=O)CC1c2cc(OC)c(cc2)OC)(=O)[O-]
+[N+]([O-])(=O)c1c(cc(O)c(F)c1)F
+[N+]([O-])(=O)c1c(cc(c(F)c1)NC(C)=O)F
+[N+]([O-])(=O)c1c(cccc1)I
+[N+]([O-])(=O)c1cc(c(cc1F)Br)F
+[N+]([O-])(=O)c1cc(c(cc1F)C(C)C(O)=O)F
+[N+]([O-])(=O)c1cc2c(ncnc2cc1F)Nc3cc(Cl)c(cc3)F
+[N+]([O-])(=O)c1ccccc1-c2nc3c(cccc3)n2CC=C
+[N+]([O-])(=O)c1ccccc1C=C(C(=O)OCC)C
+[N+]([O-])(=O)c1cnccc1Nc2ccc3c(c2)CC(C#N)C3
+[N+]([O-])(c1cc2c(O)c(C#N)cnn2c1)=O
+[N+]([O-])(c1cccc(c1C)C(=O)O)=O
+[N+]([O-])(c1cccc(c1C)O)=O
+[N+](c1c(Br)cc(Br)nc1)([O-])=O
+[N+](c1c(Br)cccc1)([O-])=O
+[N+](c1c(F)cc(c(F)c1)F)(=O)[O-]
+[N+](c1c(ccc(C(=O)C)c1)Br)([O-])=O
+[N+](c1c2c[nH]nc2ccc1)([O-])=O
+[N+](c1cc(Br)c(c(C)c1)C)([O-])=O
+[N+](c1cc(Br)c2n[nH]cc2c1)([O-])=O
+[N+](c1cc(C#N)c(C#N)cc1)([O-])=O
+[N+](c1cc(Cl)c2c(c(O)c(C#N)cn2)c1)([O-])=O
+[N+](c1cc(cc(Br)c1)O)([O-])=O
+[N+](c1cc2c(-c3c(c4c(cccc4)c(n3)O)C2)cc1)([O-])=O
+[N+](c1cc2cc(cc3C(OC(=O)c(c1)c23)=O)C(O)=O)([O-])=O
+[N+](c1ccc2c(CCN(CC2)C)c1)([O-])=O
+[N+](c1ccc2c(c1)CCNCC2)([O-])=O
+[N+](c1cccc2cc[nH]c12)([O-])=O
+[N-]=[N+]=NC(C)Cc1cc2CCN(C(=O)C)c2c(C#N)c1
+[N-]=[N+]=NC(C)c1cccc([N+]([O-])=O)c1
+[N-]=[N+]=NC(C)c1ncc(cc1)F
+[N-]=[N+]=NC(CO)c1ccc(nc1)OC
+[N-]=[N+]=NC(OCCO)COc1cccc(c1)C(=O)OCC
+[N-]=[N+]=NC1C(C(Cl)=O)CCC(C)C1
+[N-]=[N+]=NC1CC(CCC1O)C(OCC)=O
+[N-]=[N+]=NC1CC(OC1CO)N2C=C(C(NC2=O)=O)C
+[N-]=[N+]=NC1CCC(C(OC)C1)C(OC)=O
+[N-]=[N+]=NC1CCC2(C(C1)=CCC3C4C(CCC23)(C)C(C#C)CC4)C
+[N-]=[N+]=NC1c2ccc(C#N)cc2OCC1
+[N-]=[N+]=NCC1CCC(C(OC)=O)C1
+[N-]=[N+]=NCCCCO
+[N-]=[N+]=NCCCNC(CCC(N)C(OC)=O)=O
+[N-]=[N+]=NCc1ccc(C)nc1
+[N-]=[N+]=NCc1cncc(Cl)c1COC2OCCCC2
+[N-]=[N+]=Nc1c(C)ccc(C(=O)O)c1
+[N-]=[N+]=Nc1c([N+]([O-])=O)c(F)ccc1
+[N-]=[N+]=Nc1c(cc(C(=O)OCC)c(c1C)F)F
+[N-]=[N+]=Nc1c(cc(C(NCC)=O)cc1)O
+[N-]=[N+]=Nc1c(cncc1C=O)F
+[N-]=[N+]=Nc1cc(c(C)cc1)C(=O)c2ccc(cc2Cl)Nc3c(cc(cc3)F)F
+[N-]=[N+]=Nc1cc(nc(Cl)c1Cl)-c2cnco2
+[N-]=[N+]=Nc1ncc(C(=O)OC)c(Nc2c(Cl)cc(cc2)Br)c1Cl
+[N-]=[N+]=[N-]
+[O-][N+](=O)C([N+]([O-])=O)(C)CO
+[O-][N+](=O)C=C(S(=O)C)SC
+[O-][N+](=O)[N+]([O-])=O
+[O-][N+](=O)c1c(F)cc(F)c([N+]([O-])=O)c1
+[O-][N+](=O)c1c(c(c(cc1NC(=O)C)C)[N+](=O)[O-])C
+[O-][N+](=O)c1c(cccc1)F
+[O-][N+](=O)c1cc(c(cc1)Oc2c3cc(c(OC)cc3ncc2)OC)F
+[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1)C(=O)Cl
+[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1)CBr
+[O-][N+](=O)c1cc2CC(=O)c3cc(ccc3Sc2cc1)C(C)C(=O)N
+[O-][N+](=O)c1cc2OCOc2cc1C=O
+[O-][N+](=O)c1ccccc1C(Cl)=O
+[O-][N+](=O)c1ccccc1Cl
+[O-][N+](c1c(c(Cl)c(Cl)c(c1[N+]([O-])=O)Cl)Cl)=O
+[O-][N+](c1cc(C(=O)Cl)cc(C(=O)OC)c1)=O
+[O-][N+](c1cc(F)c(cc1)F)=O
+[O-][N+](c1cc([N+]([O-])=O)c(CC)cc1)=O
+[O-][N+](c1cc([N+]([O-])=O)c(N)cc1)=O
+[O-][N+](c1cc([N+]([O-])=O)c(cc1)Cl)=O
+[O-][N+](c1cc(cc([N+]([O-])=O)c1)C(=O)C)=O
+[O-][N+](c1cc2C=Cc3ccc(cc3Sc2cc1)C#N)=O
+[O-][N+](c1cc2c(cc1)Sc3c(NC2=O)cccc3)=O
+[O-][N+](c1cn(nc1)CCn2nccc2)=O
+[O-][O+]=O
+[O-][n+]1nc(nc2c1cc3CCCc3c2)Cl
+[S-2]
+[Se]1C(=CC(C(=O)O)=C1C)C=O
+[Se]1C=CC=C1Br
+[n+]1(N)cc(ccc1N)C(=O)OC
+[n+]1([O-])ccc(cc1C)[N+](=O)[O-]
+[n+]1([O-])cccc(F)c1C
+[n+]1([O-])ccnc(C(=O)OC)c1C
+[n+]1(cc(Cl)ccc1)[O-]
+[n+]1(cc(NC)c(cc1Br)[N+](=O)[O-])[O-]
+[n+]1(ccc(c2ccccc12)[N+]([O-])=O)[O-]
+[nH]1c(C(=O)NC2CCNCC2N=[N+]=[N-])c(Cl)c(c1C)Cl
+[nH]1c(C)nc2ccc(C(=O)O)cc12
+[nH]1c(CCCO)nc2c1cccc2
+[nH]1c(c(C#N)c2ccccc12)C(OC)=O
+[nH]1c(c(c(n1)N)C)C
+[nH]1c(ccc1C)C#N
+[nH]1c(ccc1C)C(=O)OCC
+[nH]1c(nc2c1C(NC(=O)N2C)=O)Br
+[nH]1c(nc2c1cccc2)CCl
+[nH]1c2C(CCCc2c3cc(C(=O)O)ccc13)=O
+[nH]1c2N(C)C(=O)N(C)C(c2nc1Br)=O
+[nH]1c2c(C)cccc2c3C(CCCc13)=O
+[nH]1c2c(F)cccc2c3C(CCCc13)=O
+[nH]1c2c(S)ncnc2nc1
+[nH]1c2c(c(C(O)c3c(c([N+]([O-])=O)ccc3)F)c1)cncn2
+[nH]1c2c(c(ncn2)Cl)cc1
+[nH]1c2c(cc1)c(ccn2)O
+[nH]1c2c(cccc2)nc1-c3nonc3N
+[nH]1c2c(nc1)c(Br)ncn2
+[nH]1c2cc(OC)c(cc2nc1)OC
+[nH]1c2cccc3C4=CC(C(=O)O)CN(C)C4Cc(c23)c1
+[nH]1c2cccc3c2c(CC4C3CC(CN4C)CO)c1
+[nH]1c2cccc3c2c(CC4N(CC(C(OC)=O)CC34)C#N)c1
+[nH]1c2cccc3c2c(CCNC3)c1
+[nH]1c2nc(nc(Cl)c2cc1)Cl
+[nH]1c2ncc(cc2c(C(c3c(c(NC(OC)=O)ccc3F)F)O)c1)Br
+[nH]1c2nccc(Br)c2cc1
+[nH]1c2nccc(Cl)c2cc1
+[nH]1c2nccc([N+]([O-])=O)c2cc1
+[nH]1cc(C#N)c2ccc(C)cc12
+[nH]1cc(C(=O)OC)c2cc(Br)c(Cl)cc12
+[nH]1cc(C(=O)OC)c2ccc(OC)cc12
+[nH]1cc(C)c2c1ccc(O)c2
+[nH]1cc(Cl)c2c1ncnc2Cl
+[nH]1cc(I)c2c1ncnc2Cl
+[nH]1cc(c2c(Cl)nc(Cl)nc12)F
+[nH]1cc(c2c1ncnc2Cl)C
+[nH]1ccc2cc(cnc12)-c3cnccc3
+[nH]1ccc2cccnc12
+[nH]1ccnn1
+[nH]1cnc2C(N=C(N(CCCCC)c12)NN)=O
+[nH]1cnc2c1c(ncn2)Cl
+[nH]1cnc2nccc(Cl)c12
+[nH]1nc(C(=O)O)c([N+](=O)[O-])c1
+[nH]1nc(C)c(Br)c1
+[nH]1nc(c([N+](=O)[O-])c1)C(=O)N
+[nH]1nc(cc1)C
+[nH]1nc(cc1)C(=O)O
+[nH]1nc(cc1)[N+](=O)[O-]
+[nH]1nc2c(c1F)cc(cc2)Br
+[nH]1nc2c(cc(C(=O)O)cn2)c1
+[nH]1nnc2cc(ccc12)C(=O)OC
+c-12c(C(c3c-1cc(cc3)F)=O)cccc2
+c-12n(COc3c-1nc(cc3)Cl)c4cccc(c4c2)F
+c1(-c2[nH]ccn2)cc([N+]([O-])=O)c(C)cc1
+c1(-c2[nH]ccn2)cc(ccc1)C#N
+c1(-c2[nH]ccn2)cccc(F)n1
+c1(-c2cc(F)ccc2)cc(F)c(c(Br)c1)C
+c1(-c2ccc([N+]([O-])=O)c(N)n2)occn1
+c1(-c2cccc(C)n2)cccc(C)n1
+c1(-c2cccc(c2)C)nc3cccc(c3o1)C(OC)=O
+c1(-c2ccccc2OC)nc3c(c(O)n1)ccc(C)c3
+c1(-c2ccccc2OC)nc3c(c(O)n1)cccc3
+c1(-c2ccnc(Br)c2)ocnc1
+c1(-c2cn(Cc3ccccc3Cl)cn2)nccc(C#N)c1
+c1(-c2cnccc2)ncc(c(Cl)n1)C(=O)OCC
+c1(-c2nc(O)c3CSCc3n2)ccc(s1)Cl
+c1(-c2nc3sc(cc3c(n2)N)CCO)cc(ccc1)C#N
+c1(-c2nnn[nH]2)cc(C(=O)O)ccc1
+c1(-c2nnnn2C)cc(ccc1)NC(NCC3CCCNC3)=O
+c1(-c2noc(n2)C)cc(ccc1)OC(C(=O)O)CCC
+c1(-c2oc(nc2C(=O)O)C)cc(C)ccc1
+c1(Br)c(C#N)c(F)ccc1
+c1(Br)c(C(=O)O)cc(C)s1
+c1(Br)c(C)c(C(OCC)=O)no1
+c1(Br)c(CBr)cccc1
+c1(Br)c(c(N)ccc1)C#N
+c1(Br)c2c(ccc1)nc(cc2)Cl
+c1(Br)cc(F)c(cc1F)N
+c1(Br)cc(c(Br)cc1OC)OC
+c1(Br)cc(cc(Br)c1)O
+c1(Br)cc(cc(Br)c1N)[N+](=O)[O-]
+c1(Br)cc(cc(Br)c1O)C#N
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+c1(C(=O)O)ccc(Br)c2c1cccc2
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+c1(C(CBr)=O)c(sc2CN(C(=O)C)CCc12)C
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+c1(C(OC)=O)ccccc1O
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+c1(C)c(N)cc(Cl)c([N+]([O-])=O)c1
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+c1(C)c(OC)ncc(Br)c1
+c1(C)c(cc(C(=O)O)cc1)Br
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+c1(C)c(cc(C(NC)=O)cc1)Br
+c1(C)c(cc(C)c([N+]([O-])=O)c1)Cl
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+c1(C)c(cc([N+]([O-])=O)cc1)Br
+c1(C)c(cc(cc1)C(=O)C)Br
+c1(C)c(cc(cc1)C(=O)OC)Br
+c1(C)c(cc(cc1)C(=O)OCC)Br
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+c1(C)cc(Br)c(cc1OCC)C(=O)O
+c1(C)cc(Br)cnc1N
+c1(C)cc(Br)ncc1[N+](=O)[O-]
+c1(C)cc(C#N)ncc1[N+](=O)[O-]
+c1(C)cc(C(=O)O)ccc1F
+c1(C)cc(C(=O)O)cnc1N2CC(C)NCC2
+c1(C)cc(C(=O)O)sc1C=O
+c1(C)cc(C(CBr)=O)ccc1[N+]([O-])=O
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+c1(C)cc(Cl)c(cc1F)C(=O)OC
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+c1(C)cc(Cl)ncc1[N+](=O)[O-]
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+c1(C)cc(N)cnc1CCCN
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+c1(C)cc(c(C)cc1C)C=O
+c1(C)cc(c(NC(C)=O)cc1F)CCCC(=O)O
+c1(C)cc(cc(C)c1)CC(O)=O
+c1(C)cc(cc(C)c1)N
+c1(C)cc(cc(C)c1)OC(CCC)=O
+c1(C)cc(cc(C)c1-c2cccc(c2C)C(OC)=O)OCC3COC(C)(C)O3
+c1(C)cc(cc(C)c1-n2cc(c(c2N)C#N)C)C
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+c1(C)cc(cc(C)c1N=C=S)C
+c1(C)cc(cc(C)c1NC(c2cc(nc3ccccc23)Cl)=O)C(OC)=O
+c1(C)cc(cc(C)c1O)-c2nc(on2)-c3sc(C)c4C5C(Cc34)C5(C)C
+c1(C)cc(cc(C)c1O)Cl
+c1(C)cc(cc(C)c1OC)-c2nc3c(o2)nc(Cc4ccc(cc4)Cl)nc3OCCC
+c1(C)cc(cc(C)c1Oc2cc(c(OCc3ccccc3)cc2)S(=O)(=O)O)[N+]([O-])=O
+c1(C)cc(cc(C)n1)CCc2ccccc2
+c1(C)cc(cc(C)n1)O
+c1(C)cc(cc(c1O)Br)Br
+c1(C)cc(ccc1F)O
+c1(C)cc(ccc1[N+]([O-])=O)O
+c1(C)cc(cnc1CCCC#N)[N+](=O)[O-]
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+c1(C)cc(nc(Cl)n1)Cl
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+c1(C)cc2cccnc2[nH]1
+c1(C)ccc(C)n1-c2nc(cc(C)c2)Br
+c1(C)ccc(Cl)c(O)c1F
+c1(C)ccc(nc1)NC(c2nccnc2C(O)=O)=O
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+c1(C)ccc2c(cccc2)c1CCl
+c1(C)cccc(C)c1CCl
+c1(C)cccc(C)c1CO
+c1(C)cccc(C)c1I
+c1(C)csc(C(=O)NN)c1Cl
+c1(C)n(nc(C)n1)-c2c(C)[nH]nc2OC(C(c3c(cc(cc3)OC)C)=O)C
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+c1(C)nc(cs1)C2C(C(OC)=O)CC(F)CC2
+c1(C)nc(nc(-c2cc(Cl)ncc2)c1)SC
+c1(C)nc2c(cc(cc2c(c1)O)F)OC
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+c1(C)nccc(C)c1C(=O)O
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+c1(C=C)ccc(cc1[N+]([O-])=O)-c2ccc(cc2C)C(=O)OC
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+c1(C=CC(=O)O)cccnc1
+c1(C=CC(Nc2cc(ccc2)C=CC(=O)OC)=O)ccc3c(OCO3)c1
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+c1(C=O)cc(OC)c(I)cc1
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+c1(C=O)cc(c(OC)c(c1)OC)Br
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+c1(C=O)cc(c(cc1)OCc2c(C)oc(C=CC(OCC)=O)n2)OC
+c1(C=O)cc(ccc1)Br
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+c1(C=O)cc2c(cc1)c[nH]n2
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+c1(C=O)cc2oc(SC)nc2cc1
+c1(C=O)ccc(C)c(F)c1
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+c1(C=O)ccc(c(F)c1)C#N
+c1(C=O)ccc2c(cc[nH]2)c1
+c1(C=O)ccc2c(ccn2CC#C)c1
+c1(C=O)ccc2c(ccs2)c1
+c1(C=O)ccc2cc[nH]c2c1
+c1(C=O)ccc2n[nH]cc2c1
+c1(C=O)ccc2occc2c1
+c1(C=O)cccc(C#N)c1
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+c1(C=O)cccc(C)c1
+c1(C=O)cccc(F)c1
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+c1(C=O)cccc(OC)c1
+c1(C=O)cccc(OCC(OC)=O)c1
+c1(C=O)cccc(OCC)c1
+c1(C=O)cccc(OCCCCl)c1
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+c1(C=O)cccc(c1)C(=O)OC
+c1(C=O)cn[nH]c1
+c1(C=O)cnc2c(cc[nH]2)c1Cl
+c1(CBr)c(c(F)ccc1)CBr
+c1(CBr)c(cccc1)-c2ccccn2
+c1(CC#N)ccccc1Br
+c1(CC(=O)Cl)cccs1
+c1(CC(=O)O)c(cc(F)c(F)c1)OC
+c1(CC(=O)O)cncs1
+c1(CC(=O)O)sc(N)nc1
+c1(CC(=O)OC)c2cccnc2[nH]c1C
+c1(CC(=O)OC)cccs1
+c1(CC(N)C)ccc(F)c(F)c1
+c1(CC)c(c(ncc1Br)N)Br
+c1(CC)cc(c(N)s1)C(=O)OC
+c1(CC)ncc(Br)[nH]1
+c1(CC2CCCN2)c(CCC(OCC)=O)oc3ccccc13
+c1(CCC)c(O)c(cc2c(NCC)cc(nc12)C(=O)O)C(=O)C
+c1(CCCC)[nH]c(c(Cl)n1)C=O
+c1(CCCCCl)n(CC)nc(C#N)c1
+c1(CCN)[nH]ccn1
+c1(CCN)ncccc1
+c1(CCl)c(cccc1)OC
+c1(CCl)ncco1
+c1(CCl)occ(CO)n1
+c1(CN)[nH]ccn1
+c1(CN)c(C)nco1
+c1(CN)c2cccnc2[nH]c1
+c1(CN)cccs1
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+c1(CN)nc(C)no1
+c1(CN)nnc(C)s1
+c1(CN)sc(C)nc1
+c1(CO)c(NC)nc(Cl)nc1
+c1(CO)cc(C)cs1
+c1(CO)cncc(c1C)Br
+c1(CO)nccs1
+c1(Cc2ccc(c(c2)OC)OC)nnc(C(C)N)c(n1)O
+c1(Cc2ccc(c(c2)OC)OC)nnc(C(N)CC)c(n1)O
+c1(Cc2nc3c([nH]2)c(nc(F)n3)N)cc4c(OCO4)cc1
+c1(Cl)c(Br)cc(C(=O)O)cn1
+c1(Cl)c(Br)cc(C(=O)OC)cn1
+c1(Cl)c(Br)cc(O)cn1
+c1(Cl)c(Br)cc(cn1)[N+](=O)[O-]
+c1(Cl)c(Br)cccn1
+c1(Cl)c(C(=O)O)cnn1C
+c1(Cl)c(C(C)O)csc1
+c1(Cl)c(C)c(c(Cl)nn1)C
+c1(Cl)c(C=O)c2ccc(cc2cn1)Br
+c1(Cl)c(Cl)c2c(ccs2)cc1OC
+c1(Cl)c(Cl)ncc(C(=O)C)c1
+c1(Cl)c(Cl)ncc(C(Cl)=NO)c1
+c1(Cl)c(Cl)ncc(C(Cl)=O)c1
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+c1(Cl)c(F)cccn1
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+c1(Cl)c(O)cc(C(=O)OC)cn1
+c1(Cl)c(O)cccn1
+c1(Cl)c(cc(Br)cn1)C(=O)OC
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+c1(Cl)c(ccc(CCN)c1)O
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+c1(Cl)c(ccc(OC)c1)O
+c1(Cl)c(ccc([N+]([O-])=O)c1)O
+c1(Cl)c(ccc(c1)C(=O)C(O)=O)O
+c1(Cl)c(ccc(c1)C(=O)OC)O
+c1(Cl)c(ccc(c1)F)O
+c1(Cl)c(ccc(c1)SC#N)O
+c1(Cl)c(cccn1)C(=O)O
+c1(Cl)c(ncc(Br)n1)NN
+c1(Cl)c2CCCc2ncc1
+c1(Cl)c2c(cc(Cl)n1)ccnc2O
+c1(Cl)c2c(cc[nH]2)c(Br)cn1
+c1(Cl)c2cccn2ccn1
+c1(Cl)cc(Br)cnc1Cl
+c1(Cl)cc(C(=O)OC)c(OC)cc1O
+c1(Cl)cc(C2=NNC(CC2)=O)ccc1O
+c1(Cl)cc(Cl)c(cc1N)OC
+c1(Cl)cc(N)c(c(c1CC)Cl)O
+c1(Cl)cc([N+](=O)[O-])c(Br)nc1
+c1(Cl)cc([N+]([O-])=O)cnc1Cl
+c1(Cl)cc(c(F)nc1)[N+](=O)[O-]
+c1(Cl)cc(c(NC(OC)=O)cc1O)F
+c1(Cl)cc(c(OC)cc1O)C(=O)O
+c1(Cl)cc(c(cc1O)F)C(CCl)=O
+c1(Cl)cc(c(cc1O)N2N=NN(CCCF)C2=O)F
+c1(Cl)cc(cc(Cl)c1)B(O)O
+c1(Cl)cc(cc(Cl)c1)CC#N
+c1(Cl)cc(cc(Cl)c1)O
+c1(Cl)cc(cc(Cl)c1Br)N
+c1(Cl)cc(cc(Cl)c1C(=O)Cl)C(NCCC)=O
+c1(Cl)cc(cc(Cl)c1C(=O)O)[N+](=O)[O-]
+c1(Cl)cc(cc(Cl)c1CC2CCN(C2=O)C3CCCCC3)O
+c1(Cl)cc(cc(Cl)c1I)[N+](=O)[O-]
+c1(Cl)cc(cc(Cl)c1O)N
+c1(Cl)cc(cc(Cl)c1O)OC(c2ccccc2)=O
+c1(Cl)cc(cc(Cl)c1Sc2cc(C(C)C)c(O)nn2)N
+c1(Cl)cc(cnc1Cl)C=NO
+c1(Cl)cc(nnc1Cl)Cl
+c1(Cl)cc2cc[nH]c2nc1
+c1(Cl)ccc(OC)cc1NC(C)=O
+c1(Cl)ccc2C(C(=CN3c2c1CCC3)C(=O)O)=O
+c1(Cl)cccc(Cl)c1-c2nc3c(s2)c(Br)ncc3
+c1(Cl)cccc(Cl)c1-n2c(CBr)c(cn2)C(C)C
+c1(Cl)cccc(Cl)c1CCO
+c1(Cl)cccc(Cl)c1COc2cccnc2[N+](=O)[O-]
+c1(Cl)cccc(Cl)c1N2C(c3cnc(SC)nc3C=C2)=O
+c1(Cl)cccc(Cl)c1O
+c1(Cl)cccc(Cl)c1S(=O)(=O)Cl
+c1(Cl)cccs1
+c1(Cl)ccnc(Br)c1
+c1(Cl)ccnc(C(=O)O)c1
+c1(Cl)ccnc(C)c1
+c1(Cl)ccnc(CN)c1
+c1(Cl)ccnc(c1)C(=O)N
+c1(Cl)cnc(Cl)cc1I
+c1(Cl)cnc(Cl)cn1
+c1(Cl)cnc2c(c1N)OCO2
+c1(Cl)cnc2ccc(cc2n1)C(N(OC)C)=O
+c1(Cl)cncc(Cl)c1Cl
+c1(Cl)csc(Br)c1
+c1(Cl)n2nccc2nc(Cl)c1
+c1(Cl)nc(C)ns1
+c1(Cl)nc(Cl)ncc1I
+c1(Cl)nc(F)nc2nc[nH]c12
+c1(Cl)nc(cs1)C(OCC)=O
+c1(Cl)nc(nc(Cl)c1)-c2cccc(c2)OC
+c1(Cl)nc(nc(Cl)c1)CC
+c1(Cl)nc(nc(Cl)c1)OC
+c1(Cl)nc(nc(Cl)c1C#N)Cl
+c1(Cl)nc(nc(Cl)c1C(Cl)=O)C
+c1(Cl)nc(nc2c1[nH]cc2)Cl
+c1(Cl)nc(nc2nc[nH]c12)Cl
+c1(Cl)ncc(Br)cc1[N+](=O)[O-]
+c1(Cl)ncc(C#N)s1
+c1(Cl)ncc(CCl)s1
+c1(Cl)ncc(cc1[N+](=O)[O-])C(=O)OC
+c1(Cl)ncccc1N=C=S
+c1(Cl)ncccc1[N+](=O)[O-]
+c1(Cl)nccnc1N
+c1(Cl)ncnc(Cl)c1C
+c1(Cl)ncnc(Cl)c1C(=O)Cl
+c1(Cl)ncnc(Cl)c1Oc2cc(OC)ccc2Cl
+c1(Cl)sc(N)nc1
+c1(Cl)sc(NC(=O)C)nc1
+c1(Cl)sc2C(NCCCc2n1)=O
+c1(Cl)sc2cccnc2n1
+c1(F)c(Br)cc(C(=O)OC)c(OC)c1
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+c1(F)c(Br)cc2nc(nc(Cl)c2c1)Cl
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+c1([N+]([O-])=O)cccc(OCC2NCCCC2)c1C#N
+c1([N+]([O-])=O)cccc(c1)CCl
+c1([N+]([O-])=O)cnc2cccnc2c1NCC#C
+c1([n+]([O-])c(C)ccc1)Cl
+c1([nH]c2c(cc(cc2)F)c1C)CCC(=O)O
+c1([nH]c2ccccc2c1)-c3c(C)onc3CC
+c1([nH]cc(Br)c1)C(=O)OC
+c1([nH]cc(C(=O)O)c1)C=O
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+c1([nH]nc(c1)[N+](=O)[O-])C(=O)O
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+c1(c(C(=O)N)cnn2cc(nc12)Br)Cl
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+c1(c(C(=O)O)c(F)ccc1S(O)=O)F
+c1(c(C(=O)O)c(N)ccc1)[N+]([O-])=O
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+c1(c(C(=O)O)occ1)C
+c1(c(C(=O)OC)c(O)ccc1)C(OC)=O
+c1(c(C(C)N)nc2c(n(cc2)C)c1)Br
+c1(c(C(C)O)nn2c1cccc2)-c3cc(F)ncc3
+c1(c(C)c([n+](cc1Br)[O-])C)[N+]([O-])=O
+c1(c(C)c(c(c(c1OC)C)C)OC)Br
+c1(c(C)c(ccc1C)[N+]([O-])=O)Cl
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+c1(c(C)cc(C)cc1O)C
+c1(c(C)cc(Cl)c(c1)C(=O)O)[N+]([O-])=O
+c1(c(C)cc2c(nccc2)c1)[N+]([O-])=O
+c1(c(C)cccc1)[Mg]Cl
+c1(c(C)cnc(c1C)C(=O)OCC)Cl
+c1(c(C)n(cn1)C)C=O
+c1(c(C)nc(SC)nc1)C(=O)O
+c1(c(C)nc2c(cccn2)c1)C(=O)O
+c1(c(C)nccc1)C(=O)O
+c1(c(C)sc(N)n1)C(C(OCC)=O)C
+c1(c(C2(CC(CC3C2CNC3)CO)O)cccc1)F
+c1(c(C23NC(SCC2C(OC3)C)=N)cccc1)F
+c1(c(C2Cc3ccc(OC)cc3CC2)ccc(OC)c1)N
+c1(c(C=2c3c(N=C(NN)CN=2)ccc(F)c3)cccc1)F
+c1(c(C=CC(=O)O)cnc(N)c1)C
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+c1(c(CC(=O)O)c([nH]c1C(=O)O)C)C
+c1(c(CC)c(Br)ccc1)C#N
+c1(c(CC)cccc1)O
+c1(c(CCC)[nH]c2c1ccc(c2)C(=O)OC)C(=O)C
+c1(c(CN)c(F)ccc1F)F
+c1(c(Cl)c(Br)ccc1)[N+]([O-])=O
+c1(c(Cl)cc(nc1)Cl)[N+]([O-])=O
+c1(c(Cl)cc2OCC(Nc2n1)=O)C=O
+c1(c(Cl)cc2SCC(Nc2n1)=O)C=O
+c1(c(Cl)cccc1)-n2nc(N)cc2
+c1(c(Cl)cccc1Br)Cl
+c1(c(Cl)ncc(Br)c1)C
+c1(c(Cl)ncc(c1)C(=O)OC)C
+c1(c(Cl)ncc(c1)[N+](=O)[O-])C
+c1(c(Cl)nccc1C(=O)O)F
+c1(c(Cl)nccn1)Cl
+c1(c(F)c(C#N)c(cc1)F)F
+c1(c(F)c(F)c(C=O)cc1)OC
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+c12c(nn(n1)-c3cc(ccc3O)C)cccc2
+c12c(nn[nH]1)cccc2
+c12c(nnc(O)c1C#N)CCCC2
+c12c3C(CCc3c(cc1CCN(CC2)C(OCC)=O)I)=O
+c12c3CCCCc3[nH]c1cc(cc2)Br
+c12c3c(CCCn3cc1)ccc2
+c12c3c(ccc(F)c3)n(c1ccc(F)c2)CC4OC4
+c12c3c(ccc1cccn2)c(cc(C)n3)O
+c12c3ccccc3c4ccccc4c1cc(OC)nc2
+c12c3ccn(c3ccc1c(Cl)nc(Cl)n2)C
+c12c[nH]nc1c(-c3sc4c(cccc4)c3)cc(Br)c2
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+c12cc(C)ccc1c3c(c(N)n2)ncc(c3)CCc4ccc(cc4C)C(=O)OC
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+c12cc(Cl)c(cc1CNC2)I
+c12cc(F)cc(N)c1ccc(O)n2
+c12cc(F)cc(N)c1cnc(n2)C
+c12cc(F)ccc1CCCCC2=O
+c12cc(I)ccc1oc3c2cccc3
+c12cc(N)ccc1cncc2
+c12cc(N)nc(Br)c1cccc2
+c12cc(OC)c(F)cc1c(ncc2)O
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+c12cc(OC)ccc1CCC2=O
+c12cc(OC)ccc1CCCC2=O
+c12cc(OC)ccc1[nH]cc2
+c12cc(OC)ccc1c[n+](cc2)[O-]
+c12cc(OC)ccc1cncc2
+c12cc([N+]([O-])=O)ccc1[nH]nc2C=O
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+c12cc(c(nc1cccc2)Cl)C
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+c12cc(cc3c1c(ccc3)C(=O)OC2=O)[N+]([O-])=O
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+c12cc(ccc1CCC2=O)O
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+c12cc(ccc1OC(C)C(=O)N2)C(=O)OC
+c12cc(ccc1OCO2)O
+c12cc(ccc1c(Cl)cc(Cl)n2)CBr
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+c12cc(ccc1c3c(c(N)n2)nccc3)C(=O)OC
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+c12cc(ncc1c(Cl)ncc2)Cl
+c12cc(ncc1cccc2)Cl
+c12cc(oc1c(cnc2)C3=CCNCC3)C=O
+c12cc3OCc4cc(C(CBr)=O)ccc4-c3cc1CCCC2=O
+c12cc3ccc(nc3n1C(CNC2)C)Br
+c12cc3oc(nc3cc1CCNCC2)CC
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+c12cc[nH]c1cc3c(N(CC3)C(=O)C)c2
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+c12cc[nH]c1ccc(c2)F
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+c12ccc(C#N)cc1n[nH]c2
+c12ccc(C(=O)C)cc1C34CCCCC3C(C2)N(C)CC4
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+c12ccc(C)nc1c(Br)ccc2
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+c12ccc(OC(C)=O)cc1C34COCCC3C(C2)N(C)CC4
+c12ccc(OC)cc1C(C(C2)C(OC)=O)=O
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+c12ccc([N+]([O-])=O)cc1n[nH]c2
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+c12ccc(cc1n[nH]c2)O
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+c12ccc3c4c(ccc3)ccc(ccc1Br)c24
+c12cccc(C(=O)OC)c1c3C(CCCc3[nH]2)=O
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+c12cccc(CO)c1c3c(cnc(c3C)C(=O)OCC)[nH]2
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+c12ccccc1C(C(=O)N2)=O
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+c12ccccc1C3C(O)CC2CC3
+c12ccccc1CNCCO2
+c12ccccc1Nc3c(ccc(C)n3)C(N2)=O
+c12ccccc1OC(CC=O)CC2
+c12ccccc1OCC(CN)O2
+c12ccccc1Oc3c(cccc3)C2(C)C(=O)O
+c12ccccc1c(C(=O)O)ccn2
+c12ccccc1c(C)cs2
+c12ccccc1c(CBr)ccc2
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+c12ccccc1c(ccc2O)N
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+c12ccccc1cc(Br)cn2
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+c12ccccc1cc(cc2)S
+c12ccccc1cc3nc(c(c(c3c2)O)C(C)=O)O
+c12ccccc1cccc2C(Cl)=O
+c12ccccc1n3CCCc3c2C=O
+c12ccccc1sc(C(Cl)=O)c2Cl
+c12ccccc1sc3nc(nc(Cl)c23)CCC(OC)=O
+c12cccnc1NC(C23Cc4c(C3)cc5c(c4)ccc(O)n5)=O
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+c12ccncc1C(c3c(CC2)cccc3)N
+c12ccncc1cc(C(=O)O)[nH]2
+c12ccncc1ccc(C)c2
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+c12n(CCO)c(nc1cnc3ccccc23)CCOC
+c12n(c(C(=O)OCC)c(c1cc(F)cc2)C=O)Cc3c4c(cccc4)ccc3
+c12n(c(c(C)n1)C(=O)O)ccs2
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+c12n[nH]c(Br)c1cccc2
+c12nc(C(=O)OCC)cn1cc(cc2Br)Br
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+c12nc(C)c(cc1CCCCC2)C(OCC)=O
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+c12nc(Cl)c(C=O)c(Cl)c1cccc2
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+c12nc(SC)ncc1cc(Br)c(O)n2
+c12nc(nc(Cl)c1sc(C(=O)N)c2)C
+c12nc(nc(Cl)c1scc2)Cl
+c12nc3c(n1C=CC(N2)=O)cccc3
+c12nc3cnc4ccccc4c3n1OCCCC2
+c12nc[nH]c1cc(Br)cn2
+c12ncc(NC(N)=S)cc1cccc2
+c12ncc(OC)cc1N(C(=O)C=C2)CC=C
+c12ncc(cc1N(C(=O)C=C2)CC=O)F
+c12ncc(cc1cccc2)C=O
+c12ncc(cc1nc(s2)-c3c([N+]([O-])=O)cccc3)C
+c12nccc(Cl)c1scc2
+c12ncccc1[nH]cn2
+c12ncccc1nc(Cl)c(Cl)n2
+c12nccnc1ccc(CCC=O)c2
+c12ncnc(c1NC(=S)N2)N
+c12nnc(n1cc(cc2)F)N3CCC(CO)C3
+c12nnn(C=O)c1cccc2
+c12oc(C(=O)O)cc1ccc(C)c2C
+c12oc3cccc(c3c1nc(cc2)Cl)OC
+c12onc(Cl)c1cccc2
+c1[nH]c(C)nc1
+c1[nH]c2c(c1CC(=O)O)cc(OC)cc2
+c1[nH]c2c(c1CC(=O)O)cc(cc2)O
+c1[nH]c2c(c1CCCBr)cc(cc2)F
+c1[nH]c2c(c1CCCO)cc(cc2)F
+c1[nH]c2c(c1CCN)cc([N+]([O-])=O)cc2
+c1[nH]c2c(cc(C#N)cc2)c1CCCBr
+c1[nH]c2c(cc(C#N)cc2)c1CCCCO
+c1[nH]c2c(cc(OC)cc2)c1CCN
+c1[nH]c2c(cccc2)c1C(=O)O
+c1[nH]c2ccccc2c1
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+c1c(-c2c3c([nH]cc3)ccc2)c(ccc1)F
+c1c(-c2c[nH]cc2C(OCC)=O)c(ccc1)Cl
+c1c(-c2cc(C)ccc2)csc1
+c1c(-c2cc(F)ccc2)[nH]nc1N
+c1c(-c2cc(cc(-c3cnco3)c2)[N+](=O)[O-])ocn1
+c1c(-c2cc3n(C(=O)C(CC(=O)OC)C(C)=N3)n2)cc4CCCCc4c1
+c1c(-c2cncc(c2C(=O)OC)Nc3ccccc3F)c(ccc1)Cl
+c1c(-c2nnc([nH]2)-c3nccc(Br)c3)nco1
+c1c(Br)c(Cl)ccc1
+c1c(Br)c(F)ccc1C#N
+c1c(Br)c(F)ccc1C(=O)C
+c1c(Br)c(OC)ccc1
+c1c(Br)c(c(cc1)Br)C
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+c1c(Br)c(c(cc1CC(O)C(OC)=O)Br)Oc2cc(c(OC)c(C(C)C)c2)N
+c1c(Br)c(c(cc1CC(OC)=O)Br)O
+c1c(Br)c(c(cc1F)Br)OC
+c1c(Br)c(c(cc1OC)Br)CCC(=O)Nc2c(cccc2)Cl
+c1c(Br)c(c(cn1)Br)C
+c1c(Br)c(cc(Br)c1F)F
+c1c(Br)c(cc(C)c1F)C=O
+c1c(Br)c(cc(c1)O)O
+c1c(Br)c(ccc1)Oc2ccc(N)cn2
+c1c(Br)cc(C)cc1F
+c1c(Br)cc(cc1C(=O)O)Br
+c1c(Br)cc(cc1CCc2cc(C)cc(n2)-n3c(ccc3C)C)Br
+c1c(Br)cc(cc1OCC(C)C)Br
+c1c(Br)cc(cc1OCc2ccccc2)Br
+c1c(Br)cc2CC(=O)NC(=O)c2c1
+c1c(Br)cc2CC(N(C)c2c1)C(OCC)=O
+c1c(Br)cc2CC(N(c2c1)C)=O
+c1c(Br)cc2CC([N+]([O-])=O)COc2c1
+c1c(Br)cc2CCC(=O)Cc2c1
+c1c(Br)cc2CCC(=O)NCc2c1
+c1c(Br)cc2CCC(c2c1)=O
+c1c(Br)cc2CN(c3cc(Cl)nc(N)n3)C(Cc2c1)C
+c1c(Br)cc2CNCCc2c1
+c1c(Br)cc2c(C(N(CC=C)CC2)=O)c1
+c1c(Br)cc2c(C(NC2)=O)c1
+c1c(Br)cc2c(c1)C(OC2)=O
+c1c(Br)cc2c(c1)N(CC2)C(=O)Cc3cc(C)ccc3
+c1c(Br)ccc2cc(OC)ccc12
+c1c(Br)ccc2cc(ccc12)C(=O)O
+c1c(Br)ccc2cc(ccc12)O
+c1c(Br)ccc2ccc(O)cc12
+c1c(Br)nc(C#C)cc1
+c1c(Br)nc(C(CBr)=O)cc1
+c1c(Br)nc(CBr)cc1
+c1c(Br)nc(CCO)cc1
+c1c(Br)nc(CO)cc1
+c1c(Br)nc(cc1)N
+c1c(Br)nc(cc1NC(=S)NC(=O)c2ccccc2)Br
+c1c(Br)nc(cc1S(=O)(=O)c2ccc(cc2)[N+]([O-])=O)Br
+c1c(Br)nc(cc1[N+]([O-])=O)Br
+c1c(Br)ncc(CC)n1
+c1c(Br)ncc(I)n1
+c1c(C#N)c(c(c(F)c1)C)Cl
+c1c(C#N)c(ccc1O)[N+]([O-])=O
+c1c(C#N)cc(C(C)N)cc1
+c1c(C#N)cc(F)cc1
+c1c(C#N)cc(I)cc1
+c1c(C#N)cc(cc1)O
+c1c(C#N)ccc([N+]([O-])=O)c1Br
+c1c(C#N)ccc(c1Br)O
+c1c(C#N)ccc(c1OC)O
+c1c(C#N)ccc2C(CCCc12)=O
+c1c(C#N)ccnn1
+c1c(C#N)cncc1Br
+c1c(C#N)nc2cccc(c2c1)O
+c1c(C(=O)C)c(cc(c1)O)O
+c1c(C(=O)C)cc(F)cc1
+c1c(C(=O)Cl)cc(cc1)C#N
+c1c(C(=O)O)[nH]c2c1cc(cc2Cl)Br
+c1c(C(=O)O)c(c(F)cc1)C
+c1c(C(=O)O)c(c(cc1)O)C
+c1c(C(=O)O)c(ccc1)OC
+c1c(C(=O)O)c(ccc1)Oc2cc(ccc2)F
+c1c(C(=O)O)c2ccccc2c(C)c1
+c1c(C(=O)O)cc(N)cc1Br
+c1c(C(=O)O)cc(N)cc1[N+]([O-])=O
+c1c(C(=O)O)cc(cc1Br)O
+c1c(C(=O)O)cc(cc1[N+]([O-])=O)N2CCCC2=O
+c1c(C(=O)O)cc(cc1[N+]([O-])=O)O
+c1c(C(=O)O)ccc(C)c1OC
+c1c(C(=O)O)ccc(Cl)c1Br
+c1c(C(=O)O)ccc(F)c1Br
+c1c(C(=O)O)ccc(c1Br)O
+c1c(C(=O)O)ccc(c1OC)O
+c1c(C(=O)O)ccc2C(CCCc12)=O
+c1c(C(=O)O)cccc1C#C
+c1c(C(=O)OC)cc(F)c(c1)F
+c1c(C(=O)OC)nnc(OC)c1
+c1c(C(=O)c2ccsc2)c(C(O)=O)ccc1
+c1c(C(C)=O)c2ccccc2[nH]1
+c1c(C(C)=O)nnc(c1)C(OC)=O
+c1c(C(CCCC)=O)cc(c(OC)c1)OC
+c1c(C(Cl)=O)cc(C)cc1
+c1c(C(Cl)=O)cc(F)cc1
+c1c(C(Cl)=O)ccc(Br)n1
+c1c(C(O)c2cc(ccc2OC)Br)c3c(cccc3)cc1
+c1c(C)c(C#N)[nH]c1C
+c1c(C)c(C(=O)O)c(Cl)nc1Cl
+c1c(C)c(C)cc2N(C(C(C(=O)O)=C(c3ccccc3Cl)c12)=O)C
+c1c(C)c([nH]c1C)C(=O)OCC
+c1c(C)c(c(cc1)C)C=O
+c1c(C)c(c(cc1)C)Cl
+c1c(C)c(c(cc1)C)N=C=O
+c1c(C)c(c(cc1)C)O
+c1c(C)c(c(cc1)C)OC
+c1c(C)c(c(cc1)C)Oc2cc3c(O)nc(nc3cc2F)-n4ncc(C(=O)OCC)c4
+c1c(C)c(c(cc1-c2nc3cnc(nc3o2)Cl)C)OC
+c1c(C)c(c(cc1Br)C)N
+c1c(C)c(c(cc1Br)C)O
+c1c(C)c(c(cc1Br)C)S
+c1c(C)c(c(cc1C(=O)OC)C)O
+c1c(C)c(c(cc1C(Cc2c(cc(OC)cc2)Cl)=O)C)C#N
+c1c(C)c(c(cc1C(O)=O)C)F
+c1c(C)c(c(cc1C)C)C(=O)Cl
+c1c(C)c(c(cc1C)C)N=C2C=C(N(C)C(=O)N2C)c3ccc(c(OC)c3)OC
+c1c(C)c(c(cc1C)C)N=C=O
+c1c(C)c(c(cc1C)C)S(=O)(=O)ON
+c1c(C)c(c(cc1C=CC(=O)OCC)C)O
+c1c(C)c(c(cc1C=O)C)O
+c1c(C)c(c(cc1C=O)C)OCCO
+c1c(C)c(c(cc1CC(C)(C)C(=O)OC)C)C2OCCO2
+c1c(C)c(c(cc1N)C)C(C)=O
+c1c(C)c(c(cc1O)C)C=O
+c1c(C)c(c(cc1O)C)N
+c1c(C)c(c(cc1OCC(=O)O)C)S(=O)(=O)Cl
+c1c(C)c(c(cc1OCC2(CCOCC2)F)C)Br
+c1c(C)c(c(cc1[N+](=O)[O-])C)F
+c1c(C)c(cc(C)c1C=O)O
+c1c(C)c(cc([N+]([O-])=O)c1O)Br
+c1c(C)c(ccc1CC(OC)=O)Br
+c1c(C)c(ccc1CO)[N+]([O-])=O
+c1c(C)c(ccc1O)C
+c1c(C)c-2c(nc1)N(CC(OC)=O)C(c3n-2ccc3)=O
+c1c(C)cc(C)c2[nH]c3CCNCc3c12
+c1c(C)cc(N)c(N)c1[N+]([O-])=O
+c1c(C)cc(cc1-c2c(c(ccc2)C)C(=O)O)C
+c1c(C)cc(cc1Br)C
+c1c(C)cc(cc1NN)C
+c1c(C)cc(cc1O)C
+c1c(C)cc(cc1OC)C
+c1c(C)ccc(-c2c(Cl)ccc([N+]([O-])=O)c2)n1
+c1c(C)ccc(-c2c3nc(OC)ccc3ncc2)n1
+c1c(C)ccc(-c2cc(cc(c2)C(=O)OC)Br)n1
+c1c(C)ccc(Br)n1
+c1c(C)ccc(C)c1CCl
+c1c(C)ccc(N)c1[N+]([O-])=O
+c1c(C)ccc2nc(nc(Cl)c12)Cl
+c1c(C)cccc1S
+c1c(C)nc(-c2cnc(cc2)Cl)cc1
+c1c(C)nc(-c2nn3c(c2-c4c5ccc(cc5ncc4)C(=O)OCC)CCC3)cc1
+c1c(C)nc(-c2nn3c(c2-c4cc5n(CCCOC6OCCCC6)cnc5cc4)CCC3)cc1
+c1c(C)nc(C)n1-c2cccc(C(=O)OCC)c2
+c1c(C)nc(CCO)cc1
+c1c(C)nc(CNC)cc1
+c1c(C)nc(CO)cc1
+c1c(C)nc(Cl)cc1
+c1c(C)nc(cc1)C=O
+c1c(C)nc(cc1)OC
+c1c(C)nc(cc1)[Zn+]
+c1c(C)nn(c1C)CC(=O)CC(C)=O
+c1c(C)nn2c1nc(cc2Cl)N
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+c1c(OC)ccc2nc(sc12)Cl
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+c1c([N+]([O-])=O)cc(Cl)c(c1)Sc2n(c(c(n2)C)C)CC
+c1c([N+]([O-])=O)cc(N)c2CCCCc12
+c1c([N+]([O-])=O)cc(N2C=CC(=CC2=O)C)cc1C(=O)OC
+c1c([N+]([O-])=O)cc(cc1C#N)[N+]([O-])=O
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+c1c([N+]([O-])=O)ccc(Cl)c1S(O)=O
+c1c([N+]([O-])=O)ccc(N)c1I
+c1c([N+]([O-])=O)ccc(c1I)O
+c1c([N+]([O-])=O)ccc2nc(Br)sc12
+c1c([N+]([O-])=O)ccc2nc(N)sc12
+c1c([N+]([O-])=O)ccc2nc(sc12)Cl
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+c1c([N+]([O-])=O)cccc1C(=N)N
+c1c([N+]([O-])=O)cccc1C(=O)C
+c1c([N+]([O-])=O)cccc1C(=O)O
+c1c([N+]([O-])=O)cccc1C(CBr)=O
+c1c([N+]([O-])=O)cccc1I
+c1c([n+]([O-])c(C)cc1)Br
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+c1c([nH]nc1N)-c2cnc(OC)cc2
+c1c(c(-c2cc(Cl)n3ncc(Br)c3n2)ccc1)Cl
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+c1c(c(C)cc(c1)O)OCC(OCC)=O
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+c1c(cc2c(c[nH]c2c1)CC3NCCC3)Br
+c1c(cc2c(c[nH]c2c1)CCC(=O)O)Br
+c1c(cc2c(cc(C(=O)OCC)[nH]2)c1)Br
+c1c(cc2c(cccc2)c1)OC
+c1c(cc2c(n1)OCO2)O
+c1c(cc2c(nc(-c3cc(F)ccc3)cc2O)c1)Br
+c1c(cc2c(nc(c3ccccc23)O)c1)C#N
+c1c(cc2c(nc(s2)Cl)c1)Br
+c1c(cc2c(ncnc2c1)-c3cc(ccc3)C(=O)OCC)Br
+c1c(cc2c(oc(CO)c2C)c1)Br
+c1c(cc2c3CCNCc3[nH]c2c1)Br
+c1c(cc2c3OCC4N(c3cnc2c1)CCC4)Br
+c1c(cc2c3c(nc(CCOC)n3CCCN4CCCC4=O)cnc2c1)Br
+c1c(cc2c[nH]nc2c1)Br
+c1c(cc2cc(C(=O)O)[nH]c2c1)Br
+c1c(cc2cc(C(=O)OCC)[nH]c2c1)Br
+c1c(cc2cc(C(=O)OCC)n(C)c2c1)Br
+c1c(cc2cc(ccc2c1)Br)Br
+c1c(cc2cc[nH]c2c1)Br
+c1c(cc2ccc(Cl)nc2c1)Br
+c1c(cc2ccc(nc2c1)C)Br
+c1c(cc2ccc(nc2c1)CN)Br
+c1c(cc2ccc(nc2c1)N)Br
+c1c(cc2nc(COc3ccc(F)c(c3F)C(=O)N)sc2c1)Br
+c1c(cc2nc(nc(Cl)c2c1)Cl)Br
+c1c(cc2ncc(C(=O)N)c(c2c1)Cl)Br
+c1c(cc2ncc(c(Nc3cc(c(cc3)Sc4nccn4C)Cl)c2c1)C#N)Br
+c1c(cc2nccc(C(=O)OC)c2c1)Br
+c1c(cc2nccc(c2c1)O)Br
+c1c(cc2nncc(c2c1)O)Br
+c1c(cc2sc(c(C(=O)OCC)c2c1)N)Br
+c1c(ccc(-c2c(cno2)C(=O)OCC)c1F)F
+c1c(ccc(-c2ncccc2)c1OC)C(=O)C
+c1c(ccc(-n2nc(C)nc2-c3cn4CCOc5cc(ccc5-c4n3)Br)c1F)F
+c1c(ccc(Br)c1C#N)O
+c1c(ccc(Br)n1)O
+c1c(ccc(C(=O)OC)c1C)CBr
+c1c(ccc(C(C)O)c1F)F
+c1c(ccc(C)n1)O
+c1c(ccc(C=CC(N)=O)c1F)F
+c1c(ccc(C=CC(OCC)=O)c1F)F
+c1c(ccc(C=O)c1F)F
+c1c(ccc(CBr)c1F)F
+c1c(ccc(CN)c1-c2ncc(C)o2)F
+c1c(ccc(CN)c1F)F
+c1c(ccc(F)c1Cl)Nc2ncnc3NC(=O)Cc23
+c1c(ccc(F)c1F)C=O
+c1c(ccc(F)c1NN)F
+c1c(ccc(I)c1F)F
+c1c(ccc(N)c1F)C=2Oc3c(c(c(c(C)c3F)F)N)C(=O)C=2
+c1c(ccc(N2c3c(c(Cl)nc(SC)n3)C=CC2=O)c1F)F
+c1c(ccc(N=C=O)c1F)F
+c1c(ccc(O)c1F)F
+c1c(ccc(O)n1)O
+c1c(ccc(OC)c1OC)CBr
+c1c(ccc(Oc2cc(C(=O)O)ccc2[N+]([O-])=O)c1F)F
+c1c(ccc(Sc2cc(C(=O)O)ccc2[N+]([O-])=O)c1F)F
+c1c(ccc([N+]([O-])=O)c1F)F
+c1c(ccc(c1Br)O)C(=O)C
+c1c(ccc(c1Cl)Cl)C=CC(N2CCC(N(CCCOC3OCCCC3)CC2)=O)=O
+c1c(ccc(c1Cl)Cl)CCCC#N
+c1c(ccc(c1F)CC(=O)O)F
+c1c(ccc(c1F)CCl)F
+c1c(ccc(c1F)Cc2ccc(O)nc2)F
+c1c(ccc(c1F)N2c3c(ccc(c3)Br)C(C=C2C)=O)F
+c1c(ccc(c1OC)O)C(=O)C
+c1c(ccc(c1OC)O)C(=O)N
+c1c(ccc(c1OC)O)CC(N)C(=O)O
+c1c(ccc(c1OC)O)CC=C
+c1c(ccc(n1)-c2ccc(SC)cc2F)O
+c1c(ccc(n1)C(=O)O)O
+c1c(ccc(n1)C(=O)OC)O
+c1c(ccc(n1)Cl)O
+c1c(ccc(n1)N)O
+c1c(ccc2SC(C(=O)O)=CC(=O)c12)O
+c1c(ccc2c1nccn2)C(O)=O
+c1c(ccc2nc(C#N)sc12)O
+c1c(ccc2nc(Cl)c(OC)nc12)F
+c1c(ccc2nccn12)CO
+c1c(cccc1C(=O)CC(OCC)=O)C#N
+c1c(cccc1C2CCCN(C(=O)C3Oc4ccccc4OC3)C2)O
+c1c(cccc1C2NC(=O)CC2)OC
+c1c(cccc1CCC(=O)O)O
+c1c(cccc1I)Br
+c1c(cccc1OC)OCCBr
+c1c(cccc1OCC(=O)O)OC
+c1c(cccc1S)OC
+c1c(cccc1[N+]([O-])=O)C(Cl)=O
+c1c(cn(n1)CC(O)=O)Oc2ncnc3cc(OC)c(cc23)OC
+c1c(cn2c(ncc2)c1)F
+c1c(cnc(C(=O)O)c1F)F
+c1c(cnc(C(C)N)c1)F
+c1c(cnc(C(C)N)c1F)F
+c1c(cnc(C(C)NC(C)=O)c1F)F
+c1c(cnc(N)c1-c2cc(ncc2Cl)Cl)F
+c1c(cnc(c1)Br)F
+c1c(cnc(c1)NC(c2cnc(Br)cc2)=O)C(=O)OC
+c1c(cnc(c1F)CN)F
+c1c(cnc2c1CC3(c4cccnc4NC3=O)C2)C(=O)OC
+c1c(cncc1Br)C(=O)OC
+c1c(n(-c2cc(Cl)ncn2)nc1C)N
+c1c(n(-c2ncccc2)nc1C)N
+c1c(n(nc1Cl)-c2ncccc2Cl)C(=O)O
+c1c(n2c(cc(n2)CC)cc1)Br
+c1c(nc(-c2cnc3c(Cl)nccn23)cc1)Br
+c1c(nc(Br)c(n1)N)Br
+c1c(nc(C(=O)C)cc1)C
+c1c(nc(CCC(OC)=O)c(c1)O)I
+c1c(nc(Cl)c(c1)Br)C(=O)O
+c1c(nc(O)cc1)C
+c1c(nc(c(c1)-n2cc(nc2)C)O)C(=O)O
+c1c(nc(cc1)Br)C
+c1c(nc(cc1)C(=O)O)-c2nc(Br)ccc2
+c1c(nc(cc1)C(=O)O)C
+c1c(nc(cc1)C(Cc2ccc(F)c(Br)c2)=O)C
+c1c(nc(cc1)F)Br
+c1c(nc(cc1)F)C
+c1c(nc(cc1)N)C
+c1c(nc(cc1)N)F
+c1c(nc(nc1C(Cl)=O)Cl)Cl
+c1c(nc(nc1Cl)Cl)C(=O)OC
+c1c(nc2c(c1)scc2)C(=O)O
+c1c(nc2c(ccc(N)n2)c1)Cl
+c1c(nc2cccc(F)n12)C=O
+c1c(nc2ccccc2c1N)C
+c1c(ncc(C#N)c1)C(=O)N
+c1c(ncc2c1c(ncn2)Nc3cc(Cl)c(cc3)Br)F
+c1c(ncc2c1c(ncn2)Nc3cc4cnn(Cc5cccc(F)c5)c4cc3)F
+c1c(ncc2ncc(C#N)c(c12)Cl)F
+c1c(nccc1)C
+c1c(nccc1Oc2ccc(N)cc2F)C(=O)N
+c1c(ncnc1N)C
+c1c(nn2c1NC=CC2=O)-c3c(cccc3)Cl
+c1c(nnc(Cl)c1C)Cl
+c1c(oc(c1)C(=O)O)C
+c1c(oc(c1)C(Cl)=O)C
+c1c(oc2c1cc(C#N)cc2)CO
+c1c(oc2c1cc(c(c2C(=O)OC)CC(=C)C)O)CC
+c1c(sc(C(=O)OCC)c1C)NC(NCCCl)=O
+c1c(sc(c1)CCCC(OC)=O)N
+c1c-2c(ccc1)C(c3ccccc-23)COC(ON4C(CCC4=O)=O)=O
+c1c2-c3c(ccc(Cl)n3)OCn2c4ccccc14
+c1c2C(=O)CC(Sc2ccc1)C(O)=O
+c1c2C(=O)N(C(c2ccc1)=O)CC(O)=O
+c1c2C(=O)NC(=O)c2cc(F)c1F
+c1c2C(C3=C(Oc2ccc1Br)CCCC3)=O
+c1c2C(CC(=O)OC)c3ccccc3C(N(C)c2cc(OC(=O)C)c1)=O
+c1c2C(CCOc2c(F)cc1)N
+c1c2C(N(CC)c3ccccc3-n2cc1CO)=O
+c1c2C(Nc3cccnc3Nc2ccc1)=O
+c1c2C(c3ccc(c(Cl)c3)Cl)CCC(c2cc(C(=O)OC)c1)NC
+c1c2C(c3ccccc3CCc2sc1)CC=C
+c1c2CC(=O)Nc2cc(F)c1F
+c1c2CC(C(=O)O)NCc2cc(c1)O
+c1c2CC3C(CC(CC3)=O)Cc2ccc1
+c1c2CCC(=O)Cc2ccc1C(=O)OC
+c1c2CCC(C(Nc2ccc1)=O)N
+c1c2CCC(c2ccc1)N
+c1c2CCCCC(C(=O)Nc2ccc1)N=[N+]=[N-]
+c1c2CCNc2cc(c1)O
+c1c2CNCCc2ccc1C(=O)OC
+c1c2CNCc2cs1
+c1c2CNCc2n[nH]1
+c1c2N(C(=O)N(C)c2ccc1N)C
+c1c2N(C(C(O)(c3cc4c(cc3O)OCO4)c2ccc1)=O)CC(=O)OCC
+c1c2NC(=O)COc2cc(N)c1
+c1c2NC(=O)Nc2c(cc1)OCC(CN)O
+c1c2NC(CCc2cc(N)c1)=O
+c1c2NC(CCc2cc([N+]([O-])=O)c1)=O
+c1c2NC(CCc2cc(c1)C(CCl)=O)=O
+c1c2NC(CCc2cc(c1)O)=O
+c1c2NC(Cc2cc(C#N)c1)=O
+c1c2NC(Cc2cc(c1)C(=O)OC)=O
+c1c2NC(Sc2cc(c1)O)=S
+c1c2OCOc2cc(N)c1
+c1c2[nH]nc(Cl)c2c([N+]([O-])=O)cc1
+c1c2[nH]nc(N)c2c(Br)cc1
+c1c2c(Br)cccc2n(-c3ccnc(SC)n3)c1
+c1c2c(C(=O)c3c(O2)cccc3)ccc1C(=O)OC
+c1c2c(C(C(=O)N2)=Cc3c(c(C(=O)O)c(C)[nH]3)C)c(C)cc1
+c1c2c(C(CC2)=O)cc(Br)c1NC(C)=O
+c1c2c(C(NN2)=O)cc([N+]([O-])=O)c1
+c1c2c(C=O)csc2ccc1
+c1c2c(CC(C(=O)OC)N)c[nH]c2ccc1
+c1c2c(CC(N)C)c[nH]c2ccc1
+c1c2c(CC(OC)=O)c[nH]c2ccc1
+c1c2c(CCBr)c[nH]c2ccc1
+c1c2c(CCC(=O)C2)nc(O)c1
+c1c2c(CCCC(=O)O)c[nH]c2ccc1
+c1c2c(CCCN)c[nH]c2ccc1
+c1c2c(CCN)c[nH]c2ccc1
+c1c2c(Cl)c(C(=O)O)[nH]c2ccc1
+c1c2c(Cl)cccc2sc1C(=O)C
+c1c2c(Cl)nc(SC)nc2[nH]c1CC
+c1c2c(F)cccc2ccc1
+c1c2c(N(O)C(C(=O)N2)=O)cc(-n3ccnc3)c1
+c1c2c(NC(=O)CC2)ccc1
+c1c2c(NC(N2)=O)c(Cl)cc1
+c1c2c(OC(C)C(=O)N2)ccc1C=C[N+]([O-])=O
+c1c2c(OCCC(C(=O)OC)=C2)ccc1
+c1c2c([nH]cc2CC(C(OC)=O)(C)N)ccc1
+c1c2c([nH]cc2CC(CO)N)ccc1
+c1c2c([nH]cc2CC(O)=O)ccc1
+c1c2c([nH]cc2CCC(=O)O)ccc1
+c1c2c([nH]cc2CN)ccc1
+c1c2c([nH]nc2ccc1)Sc3c(F)cccc3
+c1c2c(c(C(=O)O)n(CC(OC)=O)c2ccc1C)C
+c1c2c(c(C(=O)OC)nc1)COC2
+c1c2c(c(C)ccc2)[nH]c1C(=O)O
+c1c2c(c(CCC(OCC)=O)cs2)ccc1O
+c1c2c(c(Cl)cc(Cl)n2)ccc1OC
+c1c2c(c(Cl)cc1)C(=O)C(=O)N2
+c1c2c(c(Cl)cc1)OC(=O)C(C(CBr)=O)=C2
+c1c2c(c(c(CC)s2)C(NC)=O)ccc1O
+c1c2c(c(cnc2cc3c1cc(OC)c(OCCCl)c3)C#N)O
+c1c2c(c(ncc2)O)ccc1OC
+c1c2c(c3cc(Br)ccc3[nH]2)cc(Br)c1
+c1c2c(c[nH]c2ccc1)CC(C(O)=O)N
+c1c2c(c[nH]c2ccc1)CC(N)=O
+c1c2c(cc(Br)c1)C(C(CCCCCCCC)C2)=O
+c1c2c(cc(Br)c1)CC(N)C2
+c1c2c(cc(Br)cc2)ccc1Br
+c1c2c(cc(Br)cn2)cc(c1)C(=O)OC
+c1c2c(cc(C#CCCCCCCCC)cc2)cc(OC)c1
+c1c2c(cc(C#N)c1)N(C(C)CO)c3c(cccc3)S2
+c1c2c(cc(C(=O)CBr)c1)OCO2
+c1c2c(cc(C(=O)O)c1)CN(C)C(C(C)N2)=O
+c1c2c(cc(C(CC#N)=O)c1)OCO2
+c1c2c(cc(C)cc2O)ccc1
+c1c2c(cc(c1)C(=O)OC)n(cc2)CC
+c1c2c(cc(c1C(=O)O)C(=O)O)CCC2
+c1c2c(ccc(C)c2)[nH]c1C(=O)O
+c1c2c(ccc(c2ccc1)Br)C=O
+c1c2c(ccc1)-c3c(cccc3)C2(CCCCBr)C(=O)O
+c1c2c(ccc1)-n3c(nnc3)CC(=O)N2
+c1c2c(ccc1)C(=O)N(C2=O)Cc3c(c(C)cc(c3)[N+]([O-])=O)Br
+c1c2c(ccc1)C(=O)N(C2=O)Cc3cc4c(cc3)C(C(C4)CCCCN(CCC)CCC)OC
+c1c2c(ccc1)C(=O)N(C2=O)O
+c1c2c(ccc1)CC(C2)(C(OCC)=O)c3c[nH]cn3
+c1c2c(ccc1)CC(CO2)CO
+c1c2c(ccc1)CC(O)C2C(OC)=O
+c1c2c(ccc1)CC2=O
+c1c2c(ccc1)N(C(C2(c3c(cc(Br)cc3)O)O)=O)CCCCC
+c1c2c(ccc1)N(C(N2)=O)CCCl
+c1c2c(ccc1)N=C(c3c(cccc3)S2)Cl
+c1c2c(ccc1)NCC2
+c1c2c(ccc1)NCCC2
+c1c2c(ccc1)NCCCC2
+c1c2c(ccc1)Nc3cc(Cl)ccc3NC2=O
+c1c2c(ccc1)Oc3ccccc3N2
+c1c2c(ccc1)c(O)ccn2
+c1c2c(ccc1)cc(C=O)cc2
+c1c2c(ccc1)cc(cc2)CBr
+c1c2c(ccc1)cc(cc2)N
+c1c2c(ccc1)nc(-c3c(N)ncc(Br)c3)o2
+c1c2c(ccc1)nc(c(Cl)n2)Cl
+c1c2c(ccc1)nc(o2)N3C(CCCC3)C(OC)=O
+c1c2c(ccc1)scn2
+c1c2c(ccc1Br)[nH]c3c2cccc3
+c1c2c(ccc1C(=O)OC)CNCC2
+c1c2c(ccc1C)[nH]c3CCN(Cc23)CC=C
+c1c2c(ccc1C)ccnc2O
+c1c2c(ccc1F)cc(c(Cl)n2)C3NCCC3
+c1c2c(ccc1O)cc(nc2)C(=O)OC
+c1c2c(ccc1O)ncc(c2)Br
+c1c2c(ccc1OC(SC)C(OC)=O)ncc(c2)Br
+c1c2c(ccc1OC)NC(=S)N2
+c1c2c(ccc1OC)c(C)cc(O)n2
+c1c2c(ccc1OC)cc(C=O)c(n2)-c3ccsc3
+c1c2c(ccc1OC)cc(cn2)C(=O)OCC
+c1c2c(ccc1OC)ncc([N+]([O-])=O)c2
+c1c2c(ccc1OC)ncc(c2)Br
+c1c2c(ccc1OCCCCl)c(ncn2)Cl
+c1c2c(cccc2[N+]([O-])=O)cnc1
+c1c2c(cccc2[nH]c1CC)OC
+c1c2c(ccn1)nc(c(Cl)n2)Cl
+c1c2c(ccnc2)c(O)nc1-c3cc(Cl)ncc3
+c1c2c(cnn1)cc(cc2)Br
+c1c2c(csc2ccc1)C=Cc3sc(cc3)Br
+c1c2c(n(CC(OC)=O)cc2)ccc1O
+c1c2c(n3CCCC(N)c3c2C)ccc1
+c1c2c(n[nH]c2CC(O)=O)ccc1
+c1c2c(nc(n1)Cl)cccc2
+c1c2c(ncnc2cnc1F)Nc3cc(Br)c(Br)cc3
+c1c2c(ncnc2cnc1F)O
+c1c2c(oc1)ccnc2Oc3ccc(c(C)c3)Br
+c1c2c3C(CCCc3cc1)C(=O)N2
+c1c2c3ccc(N)c(c3ncc2oc1)C(=O)OC
+c1c2c[nH]nc2cc([N+]([O-])=O)c1Br
+c1c2c[nH]nc2ccc1O
+c1c2cc(C(=O)O)[nH]c2ccc1O
+c1c2cc(C)c(c(O)c2ccc1OC)Br
+c1c2cc(OC)ccc2[nH]c1C(=O)O
+c1c2cc[nH]c2ccc1O
+c1c2ccc(C#N)cc2ccc1C(O)=O
+c1c2ccc(Cl)nc2ccc1O
+c1c2ccc(O)cc2ccc1
+c1c2ccc(O)nc2ccc1O
+c1c2ccc(O)nc2ccc1OC
+c1c2ccc(cc2ccc1)CC(N)C(=O)OC
+c1c2ccc(cc2nc(c1)O)Br
+c1c2ccc(nc2ccc1OC)C
+c1c2ccc(nc2ccc1OC)C(=O)O
+c1c2ccc3cccc4ccc(cc1)c2c34
+c1c2cccc(F)c2ncc1O
+c1c2ccccc2n(Cc3noc(-c4sc(Cl)cc4)c3)c1C(OC)=O
+c1c2ccccc2n[nH]1
+c1c2ccccc2nc(O)c1C(OCC)=O
+c1c2ccccc2oc1
+c1c2cccnc2ccc1O
+c1c2cccnc2ccc1OCC3CO3
+c1c2n(CC)cc(CC(OC)=O)c2c(cc1F)O
+c1c2n(c(cc2)Br)nc(SC)n1
+c1c2n(ccn2)c(SCCN)cc1
+c1c2n[nH]cc2c(cc1F)Br
+c1c2nc(nc(Cl)c2ccc1OC)Cl
+c1c2nc(oc2cc(c1)C(=O)OC)C
+c1c2nccc(Cl)c2ccc1
+c1c2nccc(N=C=S)c2ccc1
+c1c2nccc(c2ncc1OC)O
+c1c2ncccc2ccc1OCCCBr
+c1c2ncnc(O)c2cc(OC)c1OC
+c1c2nn(C)cc2ccc1OC
+c1c2oc(nc2ccc1)N
+c1c2sc(C(=O)OC)cc2ccc1O
+c1c[n+](c(cc1)Cl)[O-]
+c1c[n+](ccc1)N
+c1c[n+](ccc1-c2c(cc(cc2)Cl)OC)[O-]
+c1c[n+](ccc1-c2ccc(cc2)Cl)[O-]
+c1c[n+](ccc1OC)N
+c1c[n+](ccc1OC)[O-]
+c1c[n+](ccc1[N+]([O-])=O)[O-]
+c1c[nH]c2c(Br)cccc12
+c1c[nH]c2c(cccc12)C#N
+c1cc(-c2c(CCCC(=O)OCC)nc(o2)-n3c(ncc3)C)c4c(cccc4)c1F
+c1cc(-c2cc(Cl)c(c(c2)F)C#N)nn1CC(C)N
+c1cc(-c2cccs2)cc(CC=O)c1OC
+c1cc(-c2nnn(C)n2)ncc1Br
+c1cc(-c2nnnn2C)ncc1Br
+c1cc(-n2cnc(c2)C=O)ncc1Br
+c1cc(Br)c(Cl)cc1F
+c1cc(Br)c(cc1F)C#N
+c1cc(Br)c(cc1F)CC(N)=O
+c1cc(Br)c(cc1F)O
+c1cc(Br)c(cc1I)C(=O)O
+c1cc(Br)cnc1I
+c1cc(Br)ncc1Br
+c1cc(Br)ncc1I
+c1cc(C#N)c(C#N)cc1C(=O)OC
+c1cc(C#N)c(C(=O)OC)cc1F
+c1cc(C#N)c(Cl)cc1F
+c1cc(C#N)cc2OC(Nc12)=O
+c1cc(C(=N)N)cc2c1OCO2
+c1cc(C(=O)C)c(cc1F)O
+c1cc(C(=O)C)c2SC(=O)Nc2c1OC
+c1cc(C(=O)Cl)cc2ccccc12
+c1cc(C(=O)O)cc(C)c1OC
+c1cc(C(=O)O)cc([N+]([O-])=O)c1OC
+c1cc(C(=O)O)n(C)c1
+c1cc(C(=O)O)oc1[N+]([O-])=O
+c1cc(C(=O)OC)[nH]c1Br
+c1cc(C(=O)OC)c(C)cc1F
+c1cc(C(=O)OC)c(Cl)cc1CBr
+c1cc(C(=O)OC)c(F)cc1I
+c1cc(C(=O)OC)c(cc1F)[N+]([O-])=O
+c1cc(C(=O)OC)cnc1C(OC)=O
+c1cc(C(=O)c2sccc2)c3oc(c(c3c1OC)C)C(=O)OCC
+c1cc(C(O)=O)c(cc1)CCc2c(N)cccc2
+c1cc(C)c(C(NN)=O)cc1
+c1cc(C)c(C(OCC)=O)cc1
+c1cc(C)c(NC(N)=S)cc1
+c1cc(C)c(cc1)CBr
+c1cc(C)c(cc1)N=C=S
+c1cc(C)cc(Br)c1OC
+c1cc(C)cc2CCCNc12
+c1cc(C)n(c1C)-c2cc(C)c(O)c(n2)C
+c1cc(C)n(c1C)-c2cc(C)cc(n2)C
+c1cc(C)n(c1C)-c2nc(Br)ccc2
+c1cc(C)n(c1C)-c2nn(cc2)-c3ccc(cc3)F
+c1cc(C)nc2cc(c(c(OC)c12)OC)OC
+c1cc(C)ncc1Br
+c1cc(C)nnc1Cl
+c1cc(C=CC(=O)O)ncc1Br
+c1cc(C=O)cc(c1)C(CCCC)C
+c1cc(C=O)cc(c1OCc2cccc3ccccc23)OC
+c1cc(C=O)cc2SC(Nc12)=O
+c1cc(C=O)oc1Sc2[nH]c3c(cccc3)n2
+c1cc(CC#N)cc(Br)c1OC
+c1cc(CC#N)cc(c1OC)C(=O)O
+c1cc(CC(OCC)=O)c(F)cc1I
+c1cc(CC)cc(Br)c1OC
+c1cc(CC)cc2C(=O)C(=O)Nc12
+c1cc(CC=C)c(CC)cc1
+c1cc(CCBr)cc(Br)c1OC
+c1cc(CCC(=O)O)cc(CCCCCC)c1OC
+c1cc(CCC(=O)O)cc(Cl)c1OC
+c1cc(CCl)c(Cl)nc1Cl
+c1cc(CN)cc(Cl)c1OC
+c1cc(CN)cnc1
+c1cc(CN)no1
+c1cc(CN2C(C=3C(=C(N(CCCCCl)C(C=3O)=O)C(=O)OC)CC2)=O)cc(Cl)c1F
+c1cc(CNc2c(cnc(SC)n2)C(=O)OCC)cc(Cl)c1OC
+c1cc(CNc2nc(SC)ncc2C(=O)O)cc(Cl)c1OC
+c1cc(CNc2nc(nc(c2C(=O)O)Cl)Cl)cc(Cl)c1OC
+c1cc(CO)cc([N+]([O-])=O)c1OC
+c1cc(CO)cnc1
+c1cc(CO)ncc1Br
+c1cc(CO)ncc1F
+c1cc(C[Mg]Br)c(C)cc1F
+c1cc(Cl)c([N+]([O-])=O)cc1CO
+c1cc(Cl)c([N+]([O-])=O)cc1I
+c1cc(Cl)c(c(C(=O)O)c1OC)C
+c1cc(Cl)c(cc1CBr)C(=O)O
+c1cc(Cl)c(cc1I)C(=O)O
+c1cc(Cl)c(cc1I)CNC(OC)=O
+c1cc(Cl)c2n(CCF)c3c(C(C(OCC)=O)CCC3)c2c1OC
+c1cc(Cl)cc(CBr)c1OCc2c(F)cc(Cl)cc2
+c1cc(Cl)cc2NC(C(Cc3cc(Cl)ccc3)(Br)c12)=O
+c1cc(Cl)cc2c3c(ncn3-c4c(Cl)cccc4)cnc12
+c1cc(Cl)nc2CC(Nc12)=O
+c1cc(Cl)nc2CNCc12
+c1cc(F)c(F)cc1C(=O)OCC
+c1cc(F)c(F)cc1N=C=O
+c1cc(F)c(O)nc1
+c1cc(F)c(cc1C(=O)OCC)OCC
+c1cc(F)c(nc1)[N+](=O)[O-]
+c1cc(F)cc(N2C(SCC(=O)OCC)=Nc3scc(c3C2=O)-c4ccccc4OC)c1
+c1cc(F)cc(c1OC)[Mg]Br
+c1cc(I)c(F)cc1I
+c1cc(N(C)N)nnc1Cl
+c1cc(N)c(-c2sc3c(cccn3)n2)cc1
+c1cc(N)c(Br)cc1
+c1cc(N)c(CN)cc1
+c1cc(N)c(CO)cc1
+c1cc(N)c(I)cc1
+c1cc(N)c(NC)cc1
+c1cc(N)c(Nc2c(C)cc(F)cc2)cc1
+c1cc(N)c(c(c1OC)[N+]([O-])=O)C
+c1cc(N)c(cc1)F
+c1cc(N)c(cc1)[N+]([O-])=O
+c1cc(N)c2c(CCCC2)c1
+c1cc(N)c2c(CCCCC2)c1
+c1cc(N)cc2c1ccc(O)c2
+c1cc(N2C(CCC2)c3nc(ccc3)OC)nc4c(cnn14)C(=O)OCC
+c1cc(N2CCCC2=O)cnc1Cl
+c1cc(NC(C)=O)cc(Br)c1OC
+c1cc(NC(C)=O)cc2C(=O)C(=O)Nc12
+c1cc(O)c(C(=O)O)nc1
+c1cc(O)c(CO)nc1
+c1cc(O)c(F)nc1
+c1cc(O)c(nc1)[N+](=O)[O-]
+c1cc(O)c2nc(C)cn2c1
+c1cc(O)cc(F)c1F
+c1cc(O)cnc1
+c1cc(O)nc2c1cccc2
+c1cc(O)ncc1Br
+c1cc(OC(C)=O)c(cc1Br)C(=O)O
+c1cc(OC(C)=O)cc(C)c1OCC(OCC)=O
+c1cc(OC)c(Br)cc1Br
+c1cc(OC)c(F)cc1Br
+c1cc(OC)c(OC)cc1C=O
+c1cc(OC)c(cc1Br)C(=O)O
+c1cc(OC)c(cc1Br)O
+c1cc(OC)c(cc1Br)OCC
+c1cc(OC)c(cc1C(C)=O)OC
+c1cc(OC)c2C(=O)CCc2c1OC
+c1cc(OC)cc2C(CC(Nc12)=O)CC(OC)=O
+c1cc(OC)cc2CC(Nc12)=O
+c1cc(OCCOC)c(cc1C(=O)OC)OCCOC
+c1cc(Oc2cccc(c2)CCl)ncc1Br
+c1cc(S)c(F)cc1
+c1cc(S)cc(C)c1OCC(OCC)=O
+c1cc([Mg]Br)c(OC)cc1OC
+c1cc([N+]([O-])=O)c(Cl)nc1Cl
+c1cc([N+]([O-])=O)c(N)nc1Cl
+c1cc([N+]([O-])=O)c(OCCCl)cc1F
+c1cc([N+]([O-])=O)c(cc1F)Br
+c1cc([N+]([O-])=O)c(cc1F)C#N
+c1cc([N+]([O-])=O)c(cc1F)C(=O)O
+c1cc([N+]([O-])=O)cc(F)c1Oc2ncnc(N)c2
+c1cc([N+]([O-])=O)cc(c1)-c2cc3c(cc2)c(Br)c[nH]3
+c1cc([N+]([O-])=O)cc(c1)C=2C3=C(C(=O)N(CC=C)N=2)C(Nc4ccc(I)cc4F)=C(C(=O)N3C)Cl
+c1cc([N+]([O-])=O)cc2C(C(CCc12)Br)=O
+c1cc([N+]([O-])=O)cc2C(NC(Nc12)=O)=O
+c1cc([N+]([O-])=O)cc2CCNc12
+c1cc([N+]([O-])=O)cc2OCC(Nc12)=O
+c1cc([N+]([O-])=O)cc2c1CCN2
+c1cc([N+]([O-])=O)ncc1Br
+c1cc([n+](cc1Br)[O-])C(=O)OC
+c1cc(c(-c2sc(C(OC)=O)cc2)cc1)N
+c1cc(c(-c2sc(CC(OC)=O)cc2)cc1)N
+c1cc(c(-n2cc3c(cccc3)n2)nc1)C(OCC)=O
+c1cc(c(C#N)cc1Br)OC
+c1cc(c(C(=O)C)cc1CCl)O
+c1cc(c(C(=O)OC)cc1Br)OCc2cccs2
+c1cc(c(C(=O)OC)cc1CC2C(=O)NC(=O)S2)O
+c1cc(c(C(=O)OC)cc1I)OC(C#C)C
+c1cc(c(C(C(=O)Cl)=O)cc1)C
+c1cc(c(C(CBr)=O)cc1)C
+c1cc(c(C)cc1Br)OC
+c1cc(c(C)cc1F)Br
+c1cc(c(C)cc1F)[N+]([O-])=O
+c1cc(c(C)nc1)O
+c1cc(c(CC(NC)c2sccc2C)cc1)N
+c1cc(c(CC(O)=O)cc1)C
+c1cc(c(CC)cc1)N
+c1cc(c(CC)cc1I)Br
+c1cc(c(CCCC(OC)=O)cc1)N
+c1cc(c(Cl)cc1C(=[N+]=[N-])C(=O)OC)Cl
+c1cc(c(Cl)cc1CCl)Cl
+c1cc(c(Cl)cc1F)C(=O)O
+c1cc(c(Cl)cc1F)CC(=O)O
+c1cc(c(Cl)cc1F)CN
+c1cc(c(Cl)cc1F)CN=C2NC(=O)CS2
+c1cc(c(Cl)cc1F)[N+]([O-])=O
+c1cc(c(Cl)cc1I)Cc2c3cc(ccc3[nH]c2C)C(=O)OC
+c1cc(c(Cl)nc1Cl)C#N
+c1cc(c(Cl)nc1Cl)C(=O)O
+c1cc(c(F)cc1)C
+c1cc(c(F)cc1I)Br
+c1cc(c(F)nc1)[N+](=O)[O-]
+c1cc(c(N)cc1Br)OC
+c1cc(c(N)cc1C(=N)N)N
+c1cc(c(N)cc1C(=O)O)N
+c1cc(c(NN)cc1)C
+c1cc(c(O)cc1I)C(=O)O
+c1cc(c(S)cc1F)C(=O)O
+c1cc(c([N+]#N)cc1)[N+](=O)[O-]
+c1cc(c(c(C=O)c1OC)C)Br
+c1cc(c(c(O)c1OC)Cl)C=O
+c1cc(c(cc1)CCO)N
+c1cc(c(cc1)CCl)N
+c1cc(c(cc1)N2C(=O)C(C=O)=C(C=C2)Cl)C
+c1cc(c(cc1Br)C=O)OC
+c1cc(c(cc1Br)[N+]([O-])=O)OC
+c1cc(c(cc1C(=NOC)CCC(=O)O)Cl)Cl
+c1cc(c(cc1C(C=O)CCOC2OCCCC2)Cl)Cl
+c1cc(c(cc1CO)F)C#N
+c1cc(c(cc1F)Br)C(=O)O
+c1cc(c(cc1F)[N+]([O-])=O)Br
+c1cc(c(cc1F)[N+]([O-])=O)CC(=O)O
+c1cc(c(cc1I)OC)Br
+c1cc(c2c(c1)c(ccc2)O)O
+c1cc(c2c(c3ccccc3s2)c1)O
+c1cc(c2cccc(N)c2c1)O
+c1cc(c2nccc(Cl)c2c1OC)OC
+c1cc(cc(-n2c(CC)c(C(OC)=O)c(CC)n2)c1)Br
+c1cc(cc(Br)c1OC)C#N
+c1cc(cc(Br)c1OC)C(=O)O
+c1cc(cc(Br)c1OC)C(CBr)=O
+c1cc(cc(Br)c1OC)F
+c1cc(cc(C(=O)OC)c1OCC#C)C(=O)C
+c1cc(cc(C(=O)OC)c1OCCCBr)C(=O)C
+c1cc(cc(CCN)c1OC)F
+c1cc(cc(Cl)c1)C(c2cccc(Cl)c2)C=O
+c1cc(cc(F)c1F)-c2cc3c(ncc(n3)-c4sccc4)c(C(=O)OC)c2OC
+c1cc(cc(F)c1F)C2CCC3N2C(=O)C(I)CC3
+c1cc(cc(N)c1)Oc2ccnc(c2)C(=O)O
+c1cc(cc(N)c1N)C
+c1cc(cc(NC(c2c(ncnc2Cl)N)=O)c1OC)C(=O)N
+c1cc(cc(O)c1C(=O)O)O
+c1cc(cc([N+]([O-])=O)c1C(=O)O)C(=O)OC
+c1cc(cc([N+]([O-])=O)c1OC)CC(OC)=O
+c1cc(cc([N+]([O-])=O)c1OC)F
+c1cc(cc(c1)F)-n2c(cc3ccccc23)C(C)N=[N+]=[N-]
+c1cc(cc(c1Br)O)C(=O)OC
+c1cc(cc(c1C#N)O)C(=O)OC
+c1cc(cc(c1Cl)Cl)N=C(N)Nc2nc(cc(n2)C)O
+c1cc(cc(c1Cl)Cl)N=C=O
+c1cc(cc(c1OC)C#N)F
+c1cc(cc(c1OC)C(=O)O)F
+c1cc(cc(c1OC)C=O)F
+c1cc(cc(c1OC)F)C2C(CC=O)C2
+c1cc(cc(c1OC)F)C2C(F)CNCC2
+c1cc(cc(c1OC)F)CBr
+c1cc(cc(c1OC)F)CC=C
+c1cc(cc(c1OC)O)Cc2c(nc(N)nc2)N
+c1cc(cc(c1OC)OC2COCC2O)C#N
+c1cc(cc(c1OC)OCC)C(=O)O
+c1cc(cc(c1OC)OCC)CCN
+c1cc(cc(c1OCC)OC)CCN
+c1cc(cc(c1Oc2ccc(c(C)c2)[N+]([O-])=O)C#N)F
+c1cc(cc2C(C(=O)Nc12)=NN=Cc3c(c(C(=O)O)c(C)[nH]3)C)F
+c1cc(cc2CC(Nc12)=O)F
+c1cc(cc2OCCCc12)O
+c1cc(cc2OCCc12)O
+c1cc(cc2c1NCCS2)[N+]([O-])=O
+c1cc(cc2c1cc(F)cc2)C(=O)O
+c1cc(cc2ccc(cc12)O)C(=O)O
+c1cc(cc2ccc(cc12)OC)C(=O)O
+c1cc(cc2ccnn12)C(=O)OC
+c1cc(cc2ccnn12)OCCCCBr
+c1cc(ccc1)-c2[nH]c(C(C)NC(=O)OCc3ccccc3)nc2
+c1cc(ccc1)-c2[nH]c(nc2)C3CCC(CC3)C(OC)=O
+c1cc(ccc1)-c2[nH]c(nc2)C3CNCCO3
+c1cc(ccc1)-c2[nH]c3c(c2C)cc(Br)cc3
+c1cc(ccc1)-c2[nH]c3c(cc(Cl)cc3c2)[N+]([O-])=O
+c1cc(ccc1)-c2[nH]c3c(cccc3)c2C(C)=O
+c1cc(ccc1)-c2[nH]c3c(cccc3)c2CCN
+c1cc(ccc1)-c2[nH]ccc2C(OCC)=O
+c1cc(ccc1)-c2[nH]nc3cc(ccc23)C
+c1cc(ccc1)-c2[nH]nc3cc(ccc23)C(c4ccccc4)O
+c1cc(ccc1)-c2c(-c3ccc(cc3)F)c[nH]c2C(=O)OCC
+c1cc(ccc1)-c2c(-c3ccccc3)nc(o2)C4=CCCCC4Cc5cccc(C(O)=O)c5
+c1cc(ccc1)-c2c(-c3ccccc3)nc4NCCCc4n2
+c1cc(ccc1)-c2c(C(=O)Cl)cccc2
+c1cc(ccc1)-c2c(C(=O)OC)c(nc3ccc(cc23)Br)CC(C)C
+c1cc(ccc1)-c2c(C)c(C(O)=O)c3cc(F)ccc3n2
+c1cc(ccc1)-c2c(C)c(c3ccccc3n2)C(O)=O
+c1cc(ccc1)-c2c(C)nn(c2C)-c3ccc(cc3)CCO
+c1cc(ccc1)-c2c(C=3C=CC(=O)N(N=3)C(C)C)cc(C(=O)N)cn2
+c1cc(ccc1)-c2c(CCO)c3ccccc3[nH]2
+c1cc(ccc1)-c2c(CN=[N+]=[N-])c(c3c(cccc3)n2)C(OC)=O
+c1cc(ccc1)-c2c(Cc3nc(ccc3)C(O)=O)c4ccc(cc4[nH]2)OC
+c1cc(ccc1)-c2c(Cn3c4c(cc3CC)c(nc(SC)n4)Cl)cccc2
+c1cc(ccc1)-c2c(F)cc(Br)cc2
+c1cc(ccc1)-c2c(N)nc3ccc(C(=O)OC)cn23
+c1cc(ccc1)-c2c(O)cccc2
+c1cc(ccc1)-c2c(c(Cl)ccc2)CCCC(=O)O
+c1cc(ccc1)-c2c(c3CNCCn3c2Cl)C#N
+c1cc(ccc1)-c2c(cc(cc2NCc3ccccc3)C(=O)O)S(=O)(=O)Cl
+c1cc(ccc1)-c2c(cc(nn2)O)N3CCNCC3
+c1cc(ccc1)-c2c(ccc(Br)c2)C(=O)O
+c1cc(ccc1)-c2c(cn3CCCc23)-c4ccc(cc4)Cl
+c1cc(ccc1)-c2c(nc(-c3ccccc3)[nH]2)-c4ccccc4
+c1cc(ccc1)-c2c(nc(N)c([N+](=O)[O-])c2)-c3ccc(cc3)C=O
+c1cc(ccc1)-c2c(nc(c(c2)C#N)O)C(C)C
+c1cc(ccc1)-c2c(ncn2C3CCCCC3O)C(OCC)=O
+c1cc(ccc1)-c2c(oc(N)c2C#N)-c3ccccc3
+c1cc(ccc1)-c2c3c(cc(N)c2)n(Cc4ccccc4)cn3
+c1cc(ccc1)-c2cc(C(O)=O)sc2C
+c1cc(ccc1)-c2cc(Cl)c(cc2)CBr
+c1cc(ccc1)-c2cc(Cl)nc3ccc(cc23)Br
+c1cc(ccc1)-c2cc(N)c(C(OC)=O)s2
+c1cc(ccc1)-c2cc(N)c(cc2)C
+c1cc(ccc1)-c2cc(Nc3ncccc3N)ccc2
+c1cc(ccc1)-c2cc(O)c3c(cccc3)n2
+c1cc(ccc1)-c2cc(O)nc(N)n2
+c1cc(ccc1)-c2cc(c(C(OC)=O)cc2)[N+](=O)[O-]
+c1cc(ccc1)-c2cc(c(s2)N)C(OCC)=O
+c1cc(ccc1)-c2cc(cc3cc(O)ccc23)C(OC)=O
+c1cc(ccc1)-c2cc(ccc2Br)OC
+c1cc(ccc1)-c2cc3CCC(Cc3cc2)C=O
+c1cc(ccc1)-c2cc3c([nH]cc3Br)nc2
+c1cc(ccc1)-c2cc3c(cc2)c(O)ccn3
+c1cc(ccc1)-c2cc3ccccc3o2
+c1cc(ccc1)-c2cc3ncnc(Nc4ccc5c(c4)cc[nH]5)c3s2
+c1cc(ccc1)-c2ccc(-c3c4nc(C5CCC(CC5)CC(NN)=O)cc(N)n4nc3)cn2
+c1cc(ccc1)-c2ccc(C(C)C(O)=O)cc2F
+c1cc(ccc1)-c2ccc(NN)nn2
+c1cc(ccc1)-c2ccc(c(F)c2)OC
+c1cc(ccc1)-c2ccc(cc2)SC(F)F
+c1cc(ccc1)-c2ccc3c(c4cc(-c5ccccc5)cc6C(C)(C)c7ccccc7-n3c46)c2
+c1cc(ccc1)-c2cccc(-c3ccccc3)c2O
+c1cc(ccc1)-c2cccc(C(C(=O)O)CC(C)C)c2
+c1cc(ccc1)-c2cccc(c2)Br
+c1cc(ccc1)-c2cccc3c2c(Cl)nnc3Cl
+c1cc(ccc1)-c2cccc3nc(nc(Cl)c23)Cl
+c1cc(ccc1)-c2ccnc(c2)Cl
+c1cc(ccc1)-c2cn[nH]c2
+c1cc(ccc1)-c2cnc(O)c3c2cccc3
+c1cc(ccc1)-c2cnc(c(c2)C#N)O
+c1cc(ccc1)-c2cnn3c2ncc(-c4ccc(cc4)Br)c3
+c1cc(ccc1)-c2cnn3cc(cnc23)Br
+c1cc(ccc1)-c2cnnc(N)n2
+c1cc(ccc1)-c2nc(-c3c(C)nc4ccc(cn34)Br)sc2C(=O)OCC
+c1cc(ccc1)-c2nc(-c3c(N)ncc(Br)n3)no2
+c1cc(ccc1)-c2nc(CBr)c(s2)C
+c1cc(ccc1)-c2nc(CCl)c(o2)C
+c1cc(ccc1)-c2nc(COc3cc(CCl)ccc3)c(o2)C
+c1cc(ccc1)-c2nc(Cl)sc2CCC(OC)=O
+c1cc(ccc1)-c2nc(c(c(n2)C)C(C(=O)O)CCC)O
+c1cc(ccc1)-c2nc(c(cn2)C=O)C
+c1cc(ccc1)-c2nc(cc(Cl)c2)C(O)=O
+c1cc(ccc1)-c2nc(nc(OC)n2)-c3cc(CO)ccc3Cl
+c1cc(ccc1)-c2nc(oc2-c3cnc(Cl)cc3)C
+c1cc(ccc1)-c2nc(sc2)C(OCC)=O
+c1cc(ccc1)-c2nc3cc(ccc3c(Cl)c2)OC
+c1cc(ccc1)-c2nc3ccccc3c(C(O)=O)c2O
+c1cc(ccc1)-c2ncc(C(=O)OCC)cc2
+c1cc(ccc1)-c2ncc(nc2)N
+c1cc(ccc1)-c2nnc(nc2)S(=O)C
+c1cc(ccc1)-c2nnc3[nH]ncc3c2Cl
+c1cc(ccc1)-c2noc(c2CO)C
+c1cc(ccc1)-c2oc(C(=O)OCC)nn2
+c1cc(ccc1)-c2oc(C)c(n2)CCN
+c1cc(ccc1)-c2oc(C)c(n2)CCOS(=O)(=O)c3ccc(cc3)C
+c1cc(ccc1)-c2oc(C)nc2
+c1cc(ccc1)-c2oc(c(n2)C(=O)O)C
+c1cc(ccc1)-c2oc3c(c2-c4ccc(cc4)OC)c(O)ncn3
+c1cc(ccc1)-c2sc(C)c(CCOS(=O)(=O)C)n2
+c1cc(ccc1)-c2scc(-c3ncccc3C(O)=O)n2
+c1cc(ccc1)-c2sccc2C(O)=O
+c1cc(ccc1)-n2c(Cl)c(C(=O)O)c3cc(ncc23)OC
+c1cc(ccc1)-n2c(N)c(c(C(=O)OCC)n2)C
+c1cc(ccc1)-n2c(c(O)c(Br)c2Br)C(=O)OCC
+c1cc(ccc1)-n2c(ccn2)C3=NN(c4c(F)cc(OCc5ccccc5)cc4)C=C(OC)C3=O
+c1cc(ccc1)-n2c3c(c(C#N)c2-c4ccc(cc4)F)c(O)c(C(OCC)=O)nc3
+c1cc(ccc1)-n2c3ncnc(c3cn2)NN
+c1cc(ccc1)-n2cc(C=O)c(OCOC)n2
+c1cc(ccc1)-n2ccc(N)n2
+c1cc(ccc1)-n2ccnc2
+c1cc(ccc1)-n2cnc3cc(cc(c23)N)C#N
+c1cc(ccc1)-n2cnc3ccc(C(=O)OC)cc23
+c1cc(ccc1)-n2nc(N)cc2-c3cccc(CCC)c3
+c1cc(ccc1)-n2nc(c(c2)C#N)N
+c1cc(ccc1)-n2nc(nc2)C(O)=O
+c1cc(ccc1)-n2ncc(C(=O)OCC)c2N
+c1cc(ccc1)-n2ncc3c2CCCC3CC(OCC)=O
+c1cc(ccc1)B(O)O
+c1cc(ccc1)Br
+c1cc(ccc1)C
+c1cc(ccc1)C#CC(=O)C
+c1cc(ccc1)C#CCBr
+c1cc(ccc1)C#Cc2c(nn(CC(O)=O)c2N)-c3ccccc3
+c1cc(ccc1)C#Cc2ccc3n(c4c(c3c2)cc(cn4)Cl)S(=O)(=O)c5ccccc5
+c1cc(ccc1)C#N
+c1cc(ccc1)C(=CC(OCC)=O)c2c3cc[nH]c3cc(c2)OC
+c1cc(ccc1)C(=O)C
+c1cc(ccc1)C(=O)CC2C(C(CN(Cc3ccccc3)C2)C)=O
+c1cc(ccc1)C(=O)CCCl
+c1cc(ccc1)C(=O)CN
+c1cc(ccc1)C(=O)Cc2ccc(cc2)OC
+c1cc(ccc1)C(=O)N(C)OC
+c1cc(ccc1)C(=O)N=C2SCC3C(CF)OCC3(N2)c4c(F)c(F)ccc4
+c1cc(ccc1)C(=O)N=C=O
+c1cc(ccc1)C(=O)N=C=S
+c1cc(ccc1)C(=O)NC=2SCC3C(OCC3(c4c(F)ccc(Br)c4)N=2)C(F)(F)C
+c1cc(ccc1)C(=O)NC=2SCC3COc4cc(ccc4C3(N=2)C)F
+c1cc(ccc1)C(=O)Nc2c(cccc2)O
+c1cc(ccc1)C(=O)OC(=O)c2ccccc2
+c1cc(ccc1)C(=O)OCC(C)CO
+c1cc(ccc1)C(=O)OCC(N)=S
+c1cc(ccc1)C(=O)Oc2ccc(cc2)O
+c1cc(ccc1)C(=O)SCCC(Cl)=O
+c1cc(ccc1)C(=O)c2c(O)cc(O)cc2
+c1cc(ccc1)C(=O)c2c(O)ccc(Br)c2
+c1cc(ccc1)C(=O)c2cc(ccc2N)C
+c1cc(ccc1)C(=O)c2cccc(C(=O)O)c2
+c1cc(ccc1)C(=O)c2cccc3c2cccc3
+c1cc(ccc1)C(=O)c2cncn2C
+c1cc(ccc1)C(=O)c2nc(CCl)on2
+c1cc(ccc1)C(=S)N
+c1cc(ccc1)C(=S)Nc2ccc(OC)c(c2)C(OC)=O
+c1cc(ccc1)C(C#N)C(=O)OCC
+c1cc(ccc1)C(C(=O)N2CCCCCC2)CCCl
+c1cc(ccc1)C(C(=O)OCC)Br
+c1cc(ccc1)C(C(=O)c2ccccc2)O
+c1cc(ccc1)C(C(C)O)N
+c1cc(ccc1)C(C(O)=O)C2CCCC2
+c1cc(ccc1)C(C(O)=O)C2CCCCC2
+c1cc(ccc1)C(C(OCC)=O)O
+c1cc(ccc1)C(C)(C)c2cc(ccc2O)C(C)(C)c3ccccc3
+c1cc(ccc1)C(C)(CCCCCBr)CO
+c1cc(ccc1)C(C)CC(=O)O
+c1cc(ccc1)C(C)CO
+c1cc(ccc1)C(C)NC(=O)N
+c1cc(ccc1)C(C2COCCN2)O
+c1cc(ccc1)C(CBr)=O
+c1cc(ccc1)C(CC#N)=O
+c1cc(ccc1)C(CC(=O)Cl)C
+c1cc(ccc1)C(CC(OC)=O)c2cc(ccc2)OC
+c1cc(ccc1)C(CC)C(O)=O
+c1cc(ccc1)C(CC)O
+c1cc(ccc1)C(CC=C)(C)C=O
+c1cc(ccc1)C(CC=C)C#N
+c1cc(ccc1)C(CCN)O
+c1cc(ccc1)C(CCc2c(C(OC)=O)cc3nc(C)n(c3c2O)CCOC)=O
+c1cc(ccc1)C(CN)C(O)c2cccc3ccccc23
+c1cc(ccc1)C(CO)CO
+c1cc(ccc1)C(CO)N
+c1cc(ccc1)C(F)(F)C(=O)N
+c1cc(ccc1)C(F)(F)C(F)(F)c2ccccc2C(O)=O
+c1cc(ccc1)C(N(C)Cc2cc(ccc2)Br)=O
+c1cc(ccc1)C(N)C
+c1cc(ccc1)C(N2CC(C2)CCO)C
+c1cc(ccc1)C(N2c3c(cccc3)-c4[nH]c(C)nc4CC2)=O
+c1cc(ccc1)C(NC(=O)C(O)C(O)C(O)C(CO)NC(C(CC(C)C)N)=O)CC(O)=O
+c1cc(ccc1)C(NC(=S)Nc2cccc(C)n2)=O
+c1cc(ccc1)C(NC(Nc2c(ccc(N3CCOCC3)c2)OC)=S)=O
+c1cc(ccc1)C(NC(Nc2c(cnc(c2)N3CCOCC3)OC)=S)=O
+c1cc(ccc1)C(NC(c2c(C)c(nc3c2cccc3)-c4ccccc4)=O)CC
+c1cc(ccc1)C(NC2CNCC23CC3)C
+c1cc(ccc1)C(O)=O
+c1cc(ccc1)C(O)C
+c1cc(ccc1)C(OCCn2c3c(ncnc3cc2)Cl)=O
+c1cc(ccc1)C(Oc2cc(CC)c(c(c2)CC)O)=O
+c1cc(ccc1)C(Oc2cc(c(c(I)c2)O)Cl)=O
+c1cc(ccc1)C(Oc2cc(c(cc2)OCC(OC)=O)[N+](=O)[O-])=O
+c1cc(ccc1)C(Oc2ccc(cc2)CO)=O
+c1cc(ccc1)C(c2c(N)c(ccc2)C)=O
+c1cc(ccc1)C(c2c(N)c[nH]c2C)=O
+c1cc(ccc1)C(c2c(NC(=O)C)sc(c2)Br)=O
+c1cc(ccc1)C(c2c(cc(C)cc2)N)=O
+c1cc(ccc1)C(c2c(cc(cc2)C)C)N
+c1cc(ccc1)C(c2cc(OCc3ccccc3)ccc2)(O)C(OCC)=O
+c1cc(ccc1)C(c2ccc(C(=O)OC)o2)=O
+c1cc(ccc1)C(c2ccc(N)cc2Cl)=O
+c1cc(ccc1)C(c2ccc(OCC=C)cc2O)=O
+c1cc(ccc1)C(c2ccc(cc2)[N+](=O)[O-])=CC(=O)OCC
+c1cc(ccc1)C(c2ccc(cc2O)OC)=O
+c1cc(ccc1)C(c2ccccc2)(C#N)CC(N(C)C)C
+c1cc(ccc1)C(c2ccccc2)(C)CN
+c1cc(ccc1)C(c2ccccc2)(C3C(C)(C)C(N(C3)C4C5CC(CC4CCC5)C(OC)=O)=O)O[SiH2]C(C)(C)C
+c1cc(ccc1)C(c2ccccc2)(C3CCN(S(=O)(=O)c4ccc(cc4)C)C3)C#N
+c1cc(ccc1)C(c2ccccc2)(CCC#N)C(OCC)=O
+c1cc(ccc1)C(c2ccccc2)(CCC(C)(C)N(C)Cc3ccccc3)C#N
+c1cc(ccc1)C(c2ccccc2)(O[SiH2]C(C)(C)C)C(CCI)NC(OC(C)(C)C)=O
+c1cc(ccc1)C(c2ccccc2)(c3ccc(cc3)OC)Cl
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)Cl
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)N
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(COS(=O)(=O)C)COCCCCCCCCCCCCCCCC
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)OCC(NN)=O
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)S
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)SC=Cc4c(CO)ncs4
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)SCCN
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cc(C(=O)c5c(nccc5)F)nc4
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cnc(C(OC)=O)c4
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cnc(C=O)c4
+c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4nc(c5cc(ccc45)C(c6cc(F)cc(c6)F)=O)NC(c7ccc(cc7[N+]([O-])=O)N8CCN(CC8)C)=O
+c1cc(ccc1)C(c2ccccc2)=C(C#N)C(OCC)=O
+c1cc(ccc1)C(c2ccccc2)=CC=O
+c1cc(ccc1)C(c2ccccc2)=N
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(C45C(COCC(N4)=O)C5)c(F)cc3
+c1cc(ccc1)C(c2ccccc2)=Nc3cc(NS(=O)(=O)N4CCOCC4)c(Cl)nc3
+c1cc(ccc1)C(c2ccccc2)=Nc3cc4c(cc(C(OCC)=O)cn4)cc3
+c1cc(ccc1)C(c2ccccc2)=Nc3ccc4C(=O)C(c5ccc(cc5)Cl)=C(Oc4c3)C(C)C
+c1cc(ccc1)C(c2ccccc2)=Nc3cnc(C)c(NS(=O)(=O)C)c3
+c1cc(ccc1)C(c2ccccc2)=Nc3cnc(c(NC(OC(C)(C)C)=O)c3)Cl
+c1cc(ccc1)C(c2ccccc2)=O
+c1cc(ccc1)C(c2ccccc2)Br
+c1cc(ccc1)C(c2ccccc2)C(C(ON3C(CCC3=O)=O)=O)NC(OC)=O
+c1cc(ccc1)C(c2ccccc2)C3CCNCC3
+c1cc(ccc1)C(c2ccccc2)C3CNCCC3=O
+c1cc(ccc1)C(c2ccccc2)CC(=O)O
+c1cc(ccc1)C(c2ccccc2)CCN3CCC(CC3)NC
+c1cc(ccc1)C(c2ccccc2)CNCc3c(c(C(F)(F)F)ccc3)Cl
+c1cc(ccc1)C(c2ccccc2)N
+c1cc(ccc1)C(c2ccccc2)N3C(C(=O)c4ccccc34)=O
+c1cc(ccc1)C(c2ccccc2)N3C(CC)C(N)C3
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)(C#N)NCc4ccccc4
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)(F)C#N
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)C(c4cc(Br)cc(F)c4)C(C)(C)F
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)Cc4c5c(ccc(c5)F)n(C)c4
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)N
+c1cc(ccc1)C(c2ccccc2)N3CC(C3)OS(=O)(=O)C
+c1cc(ccc1)C(c2ccccc2)N3c4ccccc4C(O)(C3=O)c5cc(OC)ncc5OCOC
+c1cc(ccc1)C(c2ccccc2)O
+c1cc(ccc1)C(c2ccccc2)OC(=O)C(Oc3ccccc3COc4cc5c(oc(c5)-c6scc(n6)C(C)(C)C)cc4)CCC
+c1cc(ccc1)C(c2ccccc2)c3cnc(O)cc3
+c1cc(ccc1)C(n2c3c(ccc(N)c3)nc2)CC(OCC)=O
+c1cc(ccc1)C2(CC(C2)C)c3c(ccc(OCc4ccc5cc(ccc5n4)F)c3)C=O
+c1cc(ccc1)C2(CC2COCc3ccccc3)C#N
+c1cc(ccc1)C2(CCC(=O)NC2=O)CCC(O)=O
+c1cc(ccc1)C2(CCC(CC2)=O)N(C)C
+c1cc(ccc1)C2(CCCCC2=O)CCC#N
+c1cc(ccc1)C2(CCN(C(=O)OC)C2)C=O
+c1cc(ccc1)C2(CCN(CC2)C)C(=O)O
+c1cc(ccc1)C2(CCN(CC2)Cc3ccccc3)C#N
+c1cc(ccc1)C2(CCOCC2)C(=O)O
+c1cc(ccc1)C2(CN(CCC2)C(OCc3ccccc3)=O)N=[N+]=[N-]
+c1cc(ccc1)C2(CNS(=O)(=O)c3ccccc3)C(COCc4ccccc4)C2
+c1cc(ccc1)C2(NC(NC2=O)=O)CCC
+c1cc(ccc1)C2(c3ccccc3)C(NCC2)=O
+c1cc(ccc1)C23C(CNC2)C3
+c1cc(ccc1)C23c4c(c(Br)nn4C)CCC2C(C(=O)CC3)C
+c1cc(ccc1)C2=C(C=CCO)N(C(=O)c3c2cccc3)C
+c1cc(ccc1)C2=C(CO)CNCC2
+c1cc(ccc1)C2=C(c3ccc(OC)cc3CCC2)C#CCCCCO
+c1cc(ccc1)C2=CC(CC(OCC)=O)c3c2cccc3
+c1cc(ccc1)C2=CCc3c(cc(Br)cc3)O2
+c1cc(ccc1)C2=NCCCc3ccccc23
+c1cc(ccc1)C2C(C(Br)CCC2)=O
+c1cc(ccc1)C2C(C(Nc3c(C)noc3-c4ccc(cc4)Br)C)C2
+c1cc(ccc1)C2C(C(OCC)=O)N(C(=O)C2)C
+c1cc(ccc1)C2C(C2)N3C(=O)C4CNCCN4C3=O
+c1cc(ccc1)C2C(N)CCC2
+c1cc(ccc1)C2C(NC3=NC(CS3)=O)C2
+c1cc(ccc1)C2C(O)CCCC2
+c1cc(ccc1)C2C(c3cc(ccc3C2)OC)=O
+c1cc(ccc1)C2C=CCC(N)C(N2CCOC)=O
+c1cc(ccc1)C2CC2(C(OC)=O)N
+c1cc(ccc1)C2CC2C=O
+c1cc(ccc1)C2CC2N
+c1cc(ccc1)C2CC3CNCC23
+c1cc(ccc1)C2CCc3cccc4NC(=O)N2c34
+c1cc(ccc1)C2CNCC2
+c1cc(ccc1)C2CNCCc3c(c(ccc23)OC)[N+]([O-])=O
+c1cc(ccc1)C2N(C)C(CC2C(=O)O)=O
+c1cc(ccc1)C2Sc3ccccc3NC(=O)C2N
+c1cc(ccc1)C2c3c(c(Cl)c(c(OC)c3)Cl)C(C2CC)=O
+c1cc(ccc1)C=2C3=NCCN3c4c(ccc(F)c4)[N+]=2[O-]
+c1cc(ccc1)C=2C=CC(=O)N(N=2)CCO
+c1cc(ccc1)C=2c3c(NC(CN=2)=S)ccc(Cl)c3
+c1cc(ccc1)C=2c3cc(Cl)ccc3NC(=O)CN=2
+c1cc(ccc1)C=2c3ccccc3N(C)C(=O)C(N)N=2
+c1cc(ccc1)C=C
+c1cc(ccc1)C=CC(=O)O
+c1cc(ccc1)C=CC(Cl)=O
+c1cc(ccc1)C=CC(Nc2cccc(F)c2C)=O
+c1cc(ccc1)C=CC(Nc2cccc(O)c2)=O
+c1cc(ccc1)C=CS(=O)(=O)Nc2cccc(C=CC(=O)O)c2
+c1cc(ccc1)C=Cc2onc(-c3ccc(cc3)F)c2C(O)=O
+c1cc(ccc1)CC
+c1cc(ccc1)CC#C
+c1cc(ccc1)CC(=O)Cl
+c1cc(ccc1)CC(=O)OC
+c1cc(ccc1)CC(=O)c2c(C(O)=O)cc(OC)cc2OC
+c1cc(ccc1)CC(C(=O)C)C(OCC)=O
+c1cc(ccc1)CC(C(=O)OC)N
+c1cc(ccc1)CC(C(=O)c2ccc(cc2)F)(C)N(C)C
+c1cc(ccc1)CC(C(N)C)=O
+c1cc(ccc1)CC(C(OCc2ccccc2)=O)CS(=O)(=O)C(C)(C)C(O)=O
+c1cc(ccc1)CC(C)N
+c1cc(ccc1)CC(CC#N)NC
+c1cc(ccc1)CC(N)C(=O)OCC
+c1cc(ccc1)CC(N)C(O)=O
+c1cc(ccc1)CC(N)CN=[N+]=[N-]
+c1cc(ccc1)CC(N)CO
+c1cc(ccc1)CC(N=C=S)=O
+c1cc(ccc1)CC(Nc2ccccc2Cl)=O
+c1cc(ccc1)CC(c2ccc(c(c2)C)O)=O
+c1cc(ccc1)CC2C(CN(C2)Cc3ccccc3)(C(OCC)=O)F
+c1cc(ccc1)CC2C(OCC2)=O
+c1cc(ccc1)CC2CO2
+c1cc(ccc1)CC2COC(=O)N2C(C(N=[N+]=[N-])CCCCOCc3ccc(c(C)c3)F)=O
+c1cc(ccc1)CC2COC(=O)N2C(CP(OCC)(OCC)=O)=O
+c1cc(ccc1)CC2COC(N2C(C(CC=C)c3ccc(c(Cl)c3)Cl)=O)=O
+c1cc(ccc1)CC2N(C(COCC)=O)C(=O)OC2
+c1cc(ccc1)CC2N(C(OC2)=O)C(CC(c3ccc(cc3)OCc4ccccc4)c5nocc5)=O
+c1cc(ccc1)CC=O
+c1cc(ccc1)CCC
+c1cc(ccc1)CCC(=O)C
+c1cc(ccc1)CCC(=O)O
+c1cc(ccc1)CCC(C(O)=O)CSC(C)=O
+c1cc(ccc1)CCC(C(OCC)=O)Br
+c1cc(ccc1)CCC(NC(CC(OC)=O)C(O)=O)=O
+c1cc(ccc1)CCC=2C(N(c3cnc(C(OC)=O)c(O)c3C=2)Cc4ccccc4)=O
+c1cc(ccc1)CCC=O
+c1cc(ccc1)CCCBr
+c1cc(ccc1)CCCC(=O)OC
+c1cc(ccc1)CCCC2CCNCC2
+c1cc(ccc1)CCCCCCCCCCCCCCCCCC
+c1cc(ccc1)CCCCCCCCO
+c1cc(ccc1)CCCCO
+c1cc(ccc1)CCCNCc2cc(ccc2)-c3cnc(cc3)C#N
+c1cc(ccc1)CCC[Mg]Br
+c1cc(ccc1)CCCl
+c1cc(ccc1)CCN2C3C(CC2=O)c4c(c(OC)ccc4)CC3
+c1cc(ccc1)CCN2CCC(CC2)=O
+c1cc(ccc1)CCOC(=O)C
+c1cc(ccc1)CCOS(=O)(=O)c2ccc(cc2)C
+c1cc(ccc1)CCS
+c1cc(ccc1)CCc2ccnc3c2cc(cc3)C4(OCCO4)c5ccc(cc5)Cl
+c1cc(ccc1)CCl
+c1cc(ccc1)CN(C(C)C)CCCl
+c1cc(ccc1)CN(C(CO)Cc2ccc(cc2)N)CC(COc3ccccc3)O
+c1cc(ccc1)CN(C)C2C(C(OCC)=O)CNCC2
+c1cc(ccc1)CN(C)CC(=O)c2ccc(cc2)F
+c1cc(ccc1)CN(C)CC(C)(C)CO
+c1cc(ccc1)CN(CC(O)=O)C
+c1cc(ccc1)CN(CC2OC(CC2O)N3C(NC(=O)C(CC)=C3)=O)C
+c1cc(ccc1)CN(CCO)CCC2OCCO2
+c1cc(ccc1)CN(CCOC(C=2C(C(=C(C(OCC)OCC)NC=2C)C(=O)OCC)c3cccc([N+]([O-])=O)c3)=O)C
+c1cc(ccc1)CN(Cc2ccccc2)C(=O)C3CCN(CC3)C(OC(C)(C)C)=O
+c1cc(ccc1)CN(Cc2ccccc2)C(CO)C
+c1cc(ccc1)CN(Cc2ccccc2)C3CCc4c(C3)cccc4NC(=O)C(C)(C)O
+c1cc(ccc1)CN(Cc2ccccc2)C3COc4c(C3)c(OS(=O)(=O)C(F)(F)F)ccc4
+c1cc(ccc1)CN(Cc2ccccc2)CC(=O)OCC
+c1cc(ccc1)CN(Cc2ccccc2)CC(O)CN3CCN(CC3)C(=O)OC(C)(C)C
+c1cc(ccc1)CN(Cc2ccccc2)CC(O)c3ccc(OCc4ccccc4)c(NC=O)c3
+c1cc(ccc1)CN(Cc2ccccc2)c3c(N)c(Nc4cccc(c4)NC(=O)OC(C)(C)C)ncn3
+c1cc(ccc1)CN(Cc2ccccc2)c3c(cc(cc3)F)F
+c1cc(ccc1)CN(Cc2ccccc2)c3ccccc3C(=O)OC
+c1cc(ccc1)CN(Cc2ccccc2)c3cnc(C#N)cc3
+c1cc(ccc1)CN(S(=O)(=O)c2c([N+]([O-])=O)cccc2)CC=C
+c1cc(ccc1)CN2C(=O)C(=Cc3c(O)c(C(=O)OC)ncc23)Br
+c1cc(ccc1)CN2C(=O)C(C)(C)OCC2C(O)=O
+c1cc(ccc1)CN2C(=O)C(N)CCCC2
+c1cc(ccc1)CN2C(=O)CCC2C(=O)O
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+c1cc(ccc1)Cc2cc3c(ccc([N+]([O-])=O)c3)nc2Cl
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+c1cc(ccc1)Cc2ccccc2O
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+c1cc(ccc1)Cc2nc(-c3c(cc(OC)cc3)C=O)c(C=C)nc2N
+c1cc(ccc1)Cc2nc(no2)CCC(OCC)OCC
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+c1cc(ccc1)Cn2c3C(=O)N(CCCCC(C)OC(=O)C)C(=O)N(c3nc2CCl)C
+c1cc(ccc1)Cn2c3c(Cl)nc(nc3cc2)Cl
+c1cc(ccc1)Cn2c3ccc(cc3c4c2CCCC4=O)C
+c1cc(ccc1)Cn2c3cccc(C(OC)=O)c3c4c2cc5CCCCc5c4OC
+c1cc(ccc1)Cn2cc(CO)nn2
+c1cc(ccc1)Cn2cnc3NC(NC(=O)c23)=O
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+c1cc(ccc1)Cn2nccc2N
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+c1cc(ccc1)N(S(=O)(=O)c2c(cccc2)[N+](=O)[O-])CCC=C
+c1cc(ccc1)N(c2cc(nn3c2ncc3)Cl)Cc4ccc(cc4)OC
+c1cc(ccc1)N(c2ccccc2)C(CN)=O
+c1cc(ccc1)N(c2ccccc2)C(Cl)=O
+c1cc(ccc1)N(c2ccccc2)CC(=O)O
+c1cc(ccc1)N2C(=O)N(C(Cl)=O)CC2
+c1cc(ccc1)N2C(=O)N(Cc3nc(ccc23)F)Cc4ccc(cc4)OC
+c1cc(ccc1)N2C(=O)c3c(cccc3C=C2C(N)C)-c4cn(nc4)C
+c1cc(ccc1)N2C(C(C(=O)OCC)=C3N2CCOC3)=O
+c1cc(ccc1)N2C(CC(C(O)=O)C2c3cccc(OC)c3)=O
+c1cc(ccc1)N2C(c3cc(c(Cl)cc3)Cl)CCCC2=O
+c1cc(ccc1)N2C=3N(CC2)C(C(=CN=3)Br)=O
+c1cc(ccc1)N2C=CC(N2)=O
+c1cc(ccc1)N2CCN(CC2)C(NCCCC(OCC)OCC)=O
+c1cc(ccc1)N2N3CCCC3=C(C(Nc4ccc(cn4)O)=O)C2=O
+c1cc(ccc1)N2N=C(C(=O)O)CC2=O
+c1cc(ccc1)N=C=O
+c1cc(ccc1)N=C=S
+c1cc(ccc1)NC
+c1cc(ccc1)NC(=O)C
+c1cc(ccc1)NC(N)=N
+c1cc(ccc1)NC(OCC)=O
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+c1cc(ccc1OC2CCCC2O)C=O
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+c1cc(ccc1OCC#N)O
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+c1cc(ccc1OCC)B(O)O
+c1cc(ccc1OCC)CC(O)=O
+c1cc(ccc1OCC2(Oc3c(c(c(O)c(c3C)C)C)CC2)C)[N+](=O)[O-]
+c1cc(ccc1OCC2CCNCC2)F
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+c1cc(ccc1OCC=2OC=C(OCc3ccccc3)C(=O)C=2)CC(C)=O
+c1cc(ccc1OCC=C)CO
+c1cc(ccc1OCC=C)CS
+c1cc(ccc1OCCBr)CC(OCC)C(OCC)=O
+c1cc(ccc1OCCCC(=O)OCC)Nc2c(cnc(Cl)n2)[N+](=O)[O-]
+c1cc(ccc1OCCCC)C(=O)O
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+c1cc(ccc1OCCCCCCCC)-c2ccc(cn2)CCCCCCCC
+c1cc(ccc1OCCCCCCCC)-c2nc(c(C(=O)OCC)cn2)O
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+c1cc(ccc1OCCCCl)-c2sc3CCC(c3n2)C(OCC)=O
+c1cc(ccc1OCCCCl)-c2sc3CNCCc3n2
+c1cc(ccc1OCCCN2CCCCCC2)I
+c1cc(ccc1OCCN(CCOS(=O)(=O)C)S(=O)(=O)C)C#N
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+c1cc(ccc1OCCO)N=C(N)N
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+c1cc(ccc1OCCOCCOCCOCCCCCCCCCC=C)OC(=O)C
+c1cc(ccc1OCCl)Cl
+c1cc(ccc1OCOC)C2(C)CSc3cc(OCOC)ccc3C2=O
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+c1cc(ccc1OCc2[nH]c3c(c(C)ccc3)n2)Cl
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+c1cc(ccc1OCc2ccccc2)CC(Cl)=NO
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+c1cc(ccc1ON)Cl
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+c1cc(ccc1Oc2c(C(=O)OC)cc(I)cn2)Oc3cc(ccc3)F
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+c1cc(ccc1Oc2c(ccc(F)c2)Br)-c3noc(C(N)=O)c3
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+c1cc(ccc1Oc2cc(C(=O)OC)cc(OC3C(=O)NCC3)c2)-c4oc(C)nn4
+c1cc(ccc1Oc2cc3c(O)c(C(=O)OCCCC)nc(c3cc2)O)OCCC
+c1cc(ccc1Oc2ccc(C(=O)OCC)cn2)C=O
+c1cc(ccc1Oc2ccc(cc2)C=O)CCC(=O)O
+c1cc(ccc1Oc2ccc(cc2)Cl)CC(OC)=O
+c1cc(ccc1Oc2ccc(cc2)F)S(=O)(=O)NCCc3c(OC)cccc3
+c1cc(ccc1Oc2ccc3c(c(C(=O)OCCCC)nc(c3c2)O)O)F
+c1cc(ccc1Oc2cccc(C=O)c2)OC
+c1cc(ccc1Oc2ccccc2)-c3nc(cc(O)c3C#N)-c4ccc(cc4)[N+](=O)[O-]
+c1cc(ccc1Oc2ccccc2)C(O)=O
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+c1cc(ccc1Oc2ccccc2)N=C=O
+c1cc(ccc1Oc2ccccc2)NC(CBr)=O
+c1cc(ccc1Oc2ccccc2F)I
+c1cc(ccc1Oc2ccccn2)C(=O)OC
+c1cc(ccc1Oc2ccnc(-c3cc(C(OC)=O)sc3)c2)N
+c1cc(ccc1Oc2ncnc3[nH]c(cc23)C(OCC)=O)[N+]([O-])=O
+c1cc(ccc1P(C)(C)=O)Br
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+c1cc(ccc1S(=O)(=O)C)-c2ccsc2-c3ccc(cc3)F
+c1cc(ccc1S(=O)(=O)C)C2=CN(C(=O)N2)C3CC3
+c1cc(ccc1S(=O)(=O)C)C=O
+c1cc(ccc1S(=O)(=O)C)CBr
+c1cc(ccc1S(=O)(=O)C)CCCO
+c1cc(ccc1S(=O)(=O)C)CCl
+c1cc(ccc1S(=O)(=O)C)CN
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+c1cc(ccc1S(=O)(=O)C)Oc2cc(c3[nH]c(cc3c2)C(OCC)=O)OCc4ccccc4
+c1cc(ccc1S(=O)(=O)C2c3c(ccc(c3OCC2CCC=O)F)F)Cl
+c1cc(ccc1S(=O)(=O)CC#N)Cl
+c1cc(ccc1S(=O)(=O)CCO)C
+c1cc(ccc1S(=O)(=O)CCl)F
+c1cc(ccc1S(=O)(=O)C[N+]#[C-])C
+c1cc(ccc1S(=O)(=O)Cl)C(C)C
+c1cc(ccc1S(=O)(=O)Cl)C(O)=O
+c1cc(ccc1S(=O)(=O)Cl)C=C
+c1cc(ccc1S(=O)(=O)Cl)F
+c1cc(ccc1S(=O)(=O)Cl)N=C=O
+c1cc(ccc1S(=O)(=O)Cl)NC(=O)C
+c1cc(ccc1S(=O)(=O)Cl)NC(=O)N
+c1cc(ccc1S(=O)(=O)Cl)NS(=O)(=O)CC
+c1cc(ccc1S(=O)(=O)Cl)OC(=O)C
+c1cc(ccc1S(=O)(=O)N(CC(C)C)CC(=O)OCC)OC
+c1cc(ccc1S(=O)(=O)N(CCCN2C(c3ccccc3C2=O)=O)CC(F)(F)CCOCc4ccccc4)C
+c1cc(ccc1S(=O)(=O)N)C
+c1cc(ccc1S(=O)(=O)N)CN
+c1cc(ccc1S(=O)(=O)N)N
+c1cc(ccc1S(=O)(=O)N2CCC(CC2)=O)C
+c1cc(ccc1S(=O)(=O)N2c3ccccc3SC(C=C2)CCO)NC(C)=O
+c1cc(ccc1S(=O)(=O)N=C=O)C
+c1cc(ccc1S(=O)(=O)N=C=O)Cl
+c1cc(ccc1S(=O)(=O)NC2C(=O)NCCCC2)Cl
+c1cc(ccc1S(=O)(=O)NCC2Cc3c(cccc3)C2)Cl
+c1cc(ccc1S(=O)(=O)NCCO)C(N)=NO
+c1cc(ccc1S(=O)(=O)Nc2c(cccc2C)C(OC)=O)OC
+c1cc(ccc1S(=O)(=O)Nc2cc(Br)nc(c2)Br)NC(=O)C
+c1cc(ccc1S(=O)(=O)Nc2cc(ccc2)OC)Br
+c1cc(ccc1S(=O)(=O)O)NC
+c1cc(ccc1S(=O)(=O)OC)C
+c1cc(ccc1S(=O)(=O)OCC(=O)OCC)-c2ccc(cc2)Cl
+c1cc(ccc1S(=O)(=O)OCC2COC(C)(C)O2)C
+c1cc(ccc1S(=O)(=O)OCC2COc3ccc(cc3O2)F)C
+c1cc(ccc1S(=O)(=O)OCC2Cc3c(c(-c4ccsc4)cc(c3)Cl)O2)C
+c1cc(ccc1S(=O)(=O)OCCC2CCc3c(cccc3)O2)C
+c1cc(ccc1S(=O)(=O)OCCC2Cc3ccccc3O2)C
+c1cc(ccc1S(=O)(=O)OCCOCCOCCOCCOc2ccc(cc2)[N+](=O)[O-])C
+c1cc(ccc1S(=O)(=O)c2ccccc2)C#N
+c1cc(ccc1S(=O)(=O)n2c(-c3c[nH]c4cc(c(OC)cc34)OCc5ccccc5)cc6cccnc26)C
+c1cc(ccc1S(=O)(=O)n2c(cc3c(ccnc23)C=O)-c4c5nc(c(OC)cc5n(c4)C)OC)C
+c1cc(ccc1S(=O)(=O)n2c3c(c(c2)C(C)(C)O)cc(Br)cn3)C
+c1cc(ccc1S(=O)(=O)n2c3c(cc2-c4c5c(cc(c(OC)n5)OC)n(c4)CCCl)cccn3)C
+c1cc(ccc1S(=O)(=O)n2c3ccc(cc3c(c2)C4C(C=O)C4)C#N)C
+c1cc(ccc1S(=O)(=O)n2c3ncc(c(C=O)c3c(c2)C(O)=O)F)C
+c1cc(ccc1S(=O)(=O)n2c3nccc(CO)c3cc2-c4c5cc(OC)c(OC)cc5n(C)c4)C
+c1cc(ccc1S(=O)(=O)n2cc(c3c(c(cnc23)Cl)C=O)C(=O)O)C
+c1cc(ccc1S(=O)(=O)n2nc(c(c2C)CCOS(=O)(=O)C)C)C
+c1cc(ccc1S(=O)(=O)n2ncc3c(cc(cc23)Br)C(OC)=O)C
+c1cc(ccc1S(=O)(C)=NCC(=O)OCC)C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O
+c1cc(ccc1S)Br
+c1cc(ccc1S)C(C)C
+c1cc(ccc1S)Cl
+c1cc(ccc1S)F
+c1cc(ccc1S)NC(=O)C
+c1cc(ccc1S)OC
+c1cc(ccc1SC(c2ccc(OC)c(OC)c2)C#N)C
+c1cc(ccc1SC)C#N
+c1cc(ccc1SC)C(=O)C2CCCCC2
+c1cc(ccc1SC)C=C(C(O)=O)c2ccc(cc2)C
+c1cc(ccc1SC)C=CC(C)=O
+c1cc(ccc1SC)C=O
+c1cc(ccc1SC)CC(O)=O
+c1cc(ccc1SC)O
+c1cc(ccc1SC)S
+c1cc(ccc1SCC(C)=O)Br
+c1cc(ccc1SCCCBr)C(=O)CCCCC(OC)=O
+c1cc(ccc1SCCCCl)Cl
+c1cc(ccc1SSc2ccc(cc2)Cl)Cl
+c1cc(ccc1Sc2c(C(O)=O)ccc(C(=O)O)c2)C
+c1cc(ccc1Sc2c(C=O)c(ccc2)Cl)OC
+c1cc(ccc1Sc2c(c(C(=O)O)ccc2)C(O)=O)C
+c1cc(ccc1Sc2ccc(OCc3cccc(Br)c3)cc2N)O
+c1cc(ccc1Sc2ccc(cc2)C=CC(=O)OC)Cl
+c1cc(ccc1[Mg]Br)CC
+c1cc(ccc1[Mg]Br)Cl
+c1cc(ccc1[Mg]Br)F
+c1cc(ccc1[Mg]Br)N(C)C
+c1cc(ccc1[Mg]Br)OC
+c1cc(ccc1[Mg]Br)OCc2ccccc2
+c1cc(ccc1[N+](=O)[O-])-c2cc(C(=O)OCC)c([nH]2)N
+c1cc(ccc1[N+](=O)[O-])-c2cc(n3nccc3n2)NCc4c(cc(cc4)Cl)Cl
+c1cc(ccc1[N+](=O)[O-])-c2ccc(cc2)O
+c1cc(ccc1[N+](=O)[O-])-c2nn(C3OCCCC3)cc2C=O
+c1cc(ccc1[N+](=O)[O-])C(=O)N
+c1cc(ccc1[N+](=O)[O-])C(=O)c2ccc[nH]2
+c1cc(ccc1[N+](=O)[O-])C(=S)N
+c1cc(ccc1[N+](=O)[O-])C(C(OCC)=O)=O
+c1cc(ccc1[N+](=O)[O-])C(C)(C)C#N
+c1cc(ccc1[N+](=O)[O-])C(CBr)=O
+c1cc(ccc1[N+](=O)[O-])C(N)=N
+c1cc(ccc1[N+](=O)[O-])C(O)=O
+c1cc(ccc1[N+](=O)[O-])C2(CCS(=O)(=O)CC2)C#N
+c1cc(ccc1[N+](=O)[O-])CN2c3c(NC4C(C2=O)CCC4)cccc3
+c1cc(ccc1[N+](=O)[O-])NCCO
+c1cc(ccc1[N+](=O)[O-])NN
+c1cc(ccc1[N+](=O)[O-])Nn2cnnc2
+c1cc(ccc1[N+](=O)[O-])O
+c1cc(ccc1[N+](=O)[O-])Oc2ccc3COCc3c2
+c1cc(ccc1[N+]([O-])=O)-c2ccc(C)c(c2)C(OC)=O
+c1cc(ccc1[N+]([O-])=O)-c2ccc3c(ccc(O)c3)c2
+c1cc(ccc1[N+]([O-])=O)C(C(=O)O)C
+c1cc(ccc1[N+]([O-])=O)C(C(=O)O)C(C)C
+c1cc(ccc1[N+]([O-])=O)C(OS(=O)(=O)C)CCC(OS(=O)(=O)C)c2ccc(cc2)[N+]([O-])=O
+c1cc(ccc1[N+]([O-])=O)C2CC(=O)NC(=O)C2
+c1cc(ccc1[N+]([O-])=O)C2CC2C(=O)O
+c1cc(ccc1[N+]([O-])=O)C=O
+c1cc(ccc1[N+]([O-])=O)CBr
+c1cc(ccc1[N+]([O-])=O)CC(O)=O
+c1cc(ccc1[N+]([O-])=O)CC(OCC)=O
+c1cc(ccc1[N+]([O-])=O)CCC(=O)Cl
+c1cc(ccc1[N+]([O-])=O)CCC(=O)O
+c1cc(ccc1[N+]([O-])=O)CCN
+c1cc(ccc1[N+]([O-])=O)CCS(=O)(=O)O
+c1cc(ccc1[N+]([O-])=O)CN2c3c(CCC2=O)c(C=C4C(NC(=O)S4)=O)ccc3OC
+c1cc(ccc1[N+]([O-])=O)CO
+c1cc(ccc1[N+]([O-])=O)COC(=O)C2=C(Cl)CSC3C(N)C(=O)N23
+c1cc(ccc1[N+]([O-])=O)COC(=O)N2CC(O)CC2COCC(O)=O
+c1cc(ccc1[N+]([O-])=O)COC(C2=C(CSC3C(NC(=O)Cc4ccccc4)C(N23)=O)O)=O
+c1cc(ccc1[N+]([O-])=O)COC(C2=CCSC3N2C(=O)C3NC(=O)Cc4ccccc4)=O
+c1cc(ccc1[N+]([O-])=O)COC(C=2N3C(C(Br)C3=O)SC=2)=O
+c1cc(ccc1[N+]([O-])=O)COC(N2C(CC(O)C2)C(O)=O)=O
+c1cc(ccc1[N+]([O-])=O)CON
+c1cc(ccc1[N+]([O-])=O)Cl
+c1cc(ccc1[N+]([O-])=O)I
+c1cc(ccc1[N+]([O-])=O)N
+c1cc(ccc1[N+]([O-])=O)N(CCOC)C(C(Br)CBr)=O
+c1cc(ccc1[N+]([O-])=O)Nc2ncc(Br)c(Nc3ccccc3)n2
+c1cc(ccc1[N+]([O-])=O)OC(F)(F)C
+c1cc(ccc1[N+]([O-])=O)OC(Nc2sc(cn2)Cl)=O
+c1cc(ccc1[N+]([O-])=O)OC(OC2(CC2)C)=O
+c1cc(ccc1[N+]([O-])=O)OC(Oc2ccc(cc2)[N+]([O-])=O)=O
+c1cc(ccc1[N+]([O-])=O)OC=O
+c1cc(ccc1[N+]([O-])=O)OCC2(Oc3cc(c(cc3C(C2)=O)O)Cl)C
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)Cl
+c1cc(ccc1[N+]([O-])=O)S(=O)(=O)OCC2CO2
+c1cc(ccc1[N+]([O-])=O)Sc2nnc3ccc(cn23)-c4ccc(cc4)F
+c1cc(ccn1)-c2c(-c3cc(C#N)ccc3)n[nH]c2
+c1cc(ccn1)-c2c(c[nH]c2C(=O)OC)-c3ccc(cc3)F
+c1cc(ccn1)-c2c3CCc4c(cccc4)-c3[nH]n2
+c1cc(ccn1)-c2cc(NCCCC)c(C(OC)=O)s2
+c1cc(ccn1)-c2cc(c(s2)C(OC)=O)N
+c1cc(ccn1)-c2cccc3c2cc[nH]3
+c1cc(ccn1)-c2n3CCCc3nc2-c4ccc(cc4)SC
+c1cc(ccn1)-c2nc(Nc3cc(ccc3)OC(F)(F)C(F)F)ncc2
+c1cc(ccn1)-c2nc(nc(O)c2)N
+c1cc(ccn1)-c2ncc(N)nc2-c3occc3
+c1cc(ccn1)-c2ncnc(N)c2
+c1cc(ccn1)C(=O)C2C(CCC(C2)C(=O)OC)=O
+c1cc(ccn1)C(=O)CBr
+c1cc(ccn1)C(=O)CC(OCC)=O
+c1cc(ccn1)C(=O)NN
+c1cc(ccn1)C(=O)O
+c1cc(ccn1)C(C)=O
+c1cc(ccn1)C(C2(OC2)c3c(F)cc(cc3)F)C
+c1cc(ccn1)C(N)=O
+c1cc(ccn1)C(OCC)=O
+c1cc(ccn1)C2=CC(=O)N(C)C(=N2)Cl
+c1cc(ccn1)C2c3c(C(N)C(=O)N2)cccc3
+c1cc(ccn1)C=C
+c1cc(ccn1)CC(N)=NO
+c1cc(ccn1)CCO
+c1cc(ccn1)CCl
+c1cc(ccn1)CNCc2cc(ccc2)-c3ccnc(n3)Cl
+c1cc(ccn1)CNN
+c1cc(ccn1)CO
+c1cc(ccn1)NC=2C(C(C=2OCC)=O)=O
+c1cc(ccn1)OCCOc2c(cc(c(c2)[N+](=O)[O-])C(N)=O)OC
+c1cc(ccn1)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC
+c1cc(ccn1)SCC(=O)O
+c1cc(cnc1)N=C=S
+c1cc(cnc1C(=O)O)-c2ncccc2
+c1cc(cnc1C(=O)O)C#N
+c1cc(cnc1C(=O)O)C(=O)OC
+c1cc(cnc1C(=O)O)CCCC
+c1cc(cnc1C(=O)O)F
+c1cc(cnc1CBr)-c2c(C(OC)=O)cccc2
+c1cc(cnc1Cl)C#N
+c1cc(cnc1Cl)C(=O)N
+c1cc(cnc1Cl)C(=O)OC
+c1cc(cnc1Cl)C(Cl)=O
+c1cc(cnc1Cl)C(NC)=O
+c1cc(cnc1Cl)C(Nc2cn3c(nc(C)c3)cc2)=O
+c1cc(n(C)c1)C(=O)OC
+c1cc(nc(CC)c1Oc2ccnc(-c3cnc(C)cc3)c2)N
+c1cc(nc(Cl)c1OCOC)C(=O)O
+c1cc(nc([N+]([O-])=O)c1OC)C(=O)O
+c1cc(nc2CCCCc12)O
+c1cc(nc2c(c(O)ccc12)[N+](=O)[O-])C
+c1cc(nc2c1cccc2)CCN
+c1cc(nc2c1cccc2)CCO
+c1cc(ncc1Br)C#N
+c1cc(ncc1Br)C(=O)O
+c1cc(ncc1Br)C(=O)c2cc(C(=O)OC)c(F)cc2
+c1cc(ncc1Br)C(NCC)=O
+c1cc(ncc1Br)C(NCCC(OCC)=O)=O
+c1cc(ncc1Br)C2=NOC(C2)CCl
+c1cc(ncc1Br)C=O
+c1cc(ncc1Br)CC(=O)O
+c1cc(ncc1Br)CCC#N
+c1cc(ncc1Br)CNC(CCC(=O)O)=O
+c1cc(ncc1Br)Cl
+c1cc(ncc1Br)F
+c1cc(ncc1Br)N
+c1cc(ncc1Br)OC
+c1cc(ncc1Br)OCC(=O)O
+c1cc(ncc1C2CO2)Cl
+c1cc(ncc1CO)Cl
+c1cc(ncc1F)N
+c1cc(ncc1I)C#N
+c1cc(ncc1I)Cl
+c1cc(ncc1I)N
+c1cc(nnc1C#N)Cl
+c1cc(nnc1C(=O)O)Cl
+c1cc(nnc1C(=O)OC)NN
+c1cc(nnc1Cl)-c2ccc(cc2O)O
+c1cc(nnc1Cl)-c2cnccc2
+c1cc(nnc1Cl)Cl
+c1cc(nnc1Cl)NN
+c1cc(nnc1I)Cl
+c1cc(nnc1I)N
+c1cc(no1)CON
+c1cc(oc1[N+]([O-])=O)C(Cl)=O
+c1cc-2c(NC(C(c3ccccc-23)N)=O)cc1
+c1cc2CC(C(OC)=O)CCc2cc1C3CC4(COC(N4)=O)CC3
+c1cc2CCN(Cc2cc1)C(C(=O)O)C=3CCCC=3
+c1cc2CNCCc2nc1
+c1cc2NC(CCc2cc1Br)=O
+c1cc2NC(Cc2cc1Br)C
+c1cc2OCOc2cc1NC(CCCl)=O
+c1cc2c(C(=O)C(=O)N2)cc1Br
+c1cc2c(C(=O)C(=O)N2)cc1I
+c1cc2c(C)cccc2c(OC)c1
+c1cc2c(CC(=O)C2)cc1OC
+c1cc2c(CC(C(=O)O)NC2)cc1F
+c1cc2c(CCN2)cc1Br
+c1cc2c(CCNC2)o1
+c1cc2c(c(C)ccc2)cc1F
+c1cc2c(c(Cl)ccn2)cc1I
+c1cc2c(c(O)c(C#N)cn2)cc1I
+c1cc2c(c(ncn2)Cl)cc1I
+c1cc2c(c(ncn2)O)nc1Cl
+c1cc2c(c(nnc2Cl)-c3cc(c(C)s3)C)cc1
+c1cc2c(c(nnc2Cl)O)cc1
+c1cc2c(c3ccccc3[nH]2)c(O)c1
+c1cc2c(cc(C)[nH]2)cc1
+c1cc2c(cc(C)n2CC(OC)=O)cc1F
+c1cc2c(cc(cc2)C)nc1Cl
+c1cc2c(cc1)C(c3ccccc3O2)O
+c1cc2c(cc1)Nc3ccccc3CC2
+c1cc2c(cc1)c(cnc2N)[N+](=O)[O-]
+c1cc2c(cc1Br)C=C(C(=O)OC)CCCN2
+c1cc2c(cc1C3CO3)ccs2
+c1cc2c(cc1CO)c(ncn2)Cl
+c1cc2c(cc1F)c(cnc2N)C(=O)C
+c1cc2c(cc1O)CC(N)C2
+c1cc2c(ccc(n2)C)cc1CO
+c1cc2c(ccc3nnc(-c4ncccc4)n23)cc1I
+c1cc2c(cccc2)nc1COCCCCO
+c1cc2c(cccc2I)nc1Cl
+c1cc2c(cccc2[N+]([O-])=O)nc1Cl
+c1cc2c(ccnc2Cl)nc1Cl
+c1cc2c(csc2cc1F)N3CCCNCC3
+c1cc2c(n[nH]c2nc1)C(=O)O
+c1cc2c(nc1Cl)c([N+]([O-])=O)ccc2
+c1cc2c(nc1Cl)c(ncn2)N
+c1cc2c(ncnc2nc1Cl)O
+c1cc2c(nnc(c2cc1)-c3scc(C)c3)Cl
+c1cc2c(oc3c2cccc3)c(c1)O
+c1cc2c3n(cc2C4C(=O)NC(C4c5c[nH]c6c5cccc6)=O)CCCc3c1
+c1cc2cc(C=O)ccc2cc1O
+c1cc2cc(nn2c(c1)Cl)-c3cccc(c3)C
+c1cc2cc3c(ccc(C)c3)cc2cc1
+c1cc2ccc(nc2c(C#N)c1O)C
+c1cc2n(C3CCCCO3)ncc2cc1I
+c1cc2n(cc1Br)c(I)cn2
+c1cc2n(ncc2cc1I)-c3cccc(C(=O)O)c3
+c1cc2n(ncc2cc1I)-c3cccc(c3)Br
+c1cc2nc(CCCC)nc(c2cc1I)O
+c1cc2nc(nc(Cl)c2cc1I)Cl
+c1cc2ncc(n2cc1Br)C(=O)O
+c1cc2nccn2cc1Br
+c1cc[nH]c1
+c1ccc(-c2c(-c3c(Cl)nccc3)nc(N)s2)c(Cl)n1
+c1ccc(-c2cc(nnc2)N)cc1C(=O)OC
+c1ccc(C#N)c(N)c1
+c1ccc(C#N)c2cc[nH]c12
+c1ccc(C(=O)O)c(N)c1
+c1ccc(C(=O)O)cc1C#N
+c1ccc(C(=O)OC)c2cc[nH]c12
+c1ccc(C(C)=O)c(N)c1
+c1ccc(C(OC)=O)c(N)c1
+c1ccc(C(OCC)=O)c(N)c1
+c1ccc(C)c(COc2c(C)cc(cc2)-c3c(c(n(C)n3)C(=O)OCC)C)c1N4N=NN(C4=O)C
+c1ccc(C)c2c(cccc12)C
+c1ccc(C)cc1C#C
+c1ccc(C)o1
+c1ccc(C2CC2N)cc1C(=O)OC
+c1ccc(CBr)cc1C(=O)OC
+c1ccc(CN)o1
+c1ccc(CO)o1
+c1ccc(Cl)c(N)c1
+c1ccc(Cl)c(c1)Cl
+c1ccc(N)c(N)c1
+c1ccc(NN)cc1C(=O)OC
+c1ccc(O)c(N)c1
+c1ccc(O)c2cc[nH]c12
+c1ccc(OC)c(I)c1
+c1ccc(OC)c(c1)C
+c1ccc(OCC(OC)=O)c(c1)C
+c1ccc(OCC)c(N)c1
+c1ccc([N+]([O-])=O)c(Sc2c(C(N)=O)cccc2)c1
+c1ccc([N+]([O-])=O)c2c1n(nc2C)Cc3cccc(C)n3
+c1ccc([N+]([O-])=O)cc1OCC(=O)O
+c1ccc(c(C)c1)C(CC(O)=O)c2cccc(c2)Br
+c1ccc(c(C)c1)C(N)CC(=O)OCC
+c1ccc(c(C)c1)S
+c1ccc(c(I)c1)O
+c1ccc(c(N)c1)C#Cc2cccn3nc(nc23)Cl
+c1ccc(c(N)c1)C(N)=O
+c1ccc(c(N)c1)OC
+c1ccc(c(N)c1)S
+c1ccc(c(OCC=C)c1OCC=C)C=O
+c1ccc(c(c1)C)O
+c1ccc(c(c1)N)C
+c1ccc(c(c1OC)C)CCc2ccc(Br)cc2CC#N
+c1ccc(c2cc[nH]c12)[N+]([O-])=O
+c1ccc(cc1C#C)F
+c1ccc(cc1C#C)O
+c1ccc(cc1C(=O)OC)O
+c1ccc(cc1C(=O)OC)S(C)(=N)=O
+c1ccc(nc1)C(=O)O
+c1ccc(nc1)S
+c1ccc-2c(c1)C(c3c-2cccc3)COC(N=C=S)=O
+c1ccc2C(=O)N(C(=O)c2c1)C(CF)(C(OC)=O)CC(=O)O
+c1ccc2C(=O)N(C(=O)c2c1)C3C(=O)N(C(=C(C)C)C(OC)=O)C3CC=C
+c1ccc2C(=O)N(C(=O)c2c1)CC3(Cc4cc(OCC)c5OC(C)(C)Cc5c4C(=N3)c6ccccc6)C
+c1ccc2C(=O)N(C(=O)c2c1)CCCc3ccncc3
+c1ccc2C(c3ccccc3COc2c1)C(C(OC)=O)CC=C
+c1ccc2CC(Cc2c1)CC(C)(C)N
+c1ccc2CCCc2c1
+c1ccc2CCNCCc2c1
+c1ccc2CN(Cc2c1)C(c3nc(N)nc4ccc(I)cc34)=O
+c1ccc2CNCCc2c1
+c1ccc2c(-c3ccccc3C2(CO)CO)c1
+c1ccc2c(C(=O)N(C2=O)OC(C(=O)OCc3ccccc3)Cc4ccccc4)c1
+c1ccc2c(CC(CO)NC2)c1
+c1ccc2c(CCc3c(cccc3)NC2)c1
+c1ccc2c(CCl)c(nc(Cl)c2c1)C
+c1ccc2c(NC(N2)=O)c1
+c1ccc2c(OC(C2)CI)c1
+c1ccc2c(OC(CO2)C(=O)Cl)c1
+c1ccc2c([nH]c(CN)n2)c1
+c1ccc2c(c1)-c3ccccc3C2C(=O)O
+c1ccc2c(c1)C(=O)N(C2=O)C(C(O)C3CCCCC3)CNC
+c1ccc2c(c1)C(=O)N(C2=O)C(CCCCOCc3ccccc3)(C#N)CF
+c1ccc2c(c1)C(=O)N(C2=O)CCC#C
+c1ccc2c(c1)C3c4c(cccc4)C2(C3)C(O)=O
+c1ccc2c(c1)CC3(C2)NC(=O)NC3=O
+c1ccc2c(c1)CCC(=O)C2
+c1ccc2c(c1)CCC(C2)C(=O)O
+c1ccc2c(c1)CN(C2)CC(O)CN
+c1ccc2c(c1)[nH]c(C)c2CC3NCC(O)C3
+c1ccc2c(c1)c(c3ccccc3c2)C(=O)O
+c1ccc2c(c1)cc3cc4c(cccc4)cc3c2
+c1ccc2c(c1)nc3c(cccc3)c2Cl
+c1ccc2c(c1)sc(Cl)n2
+c1ccc2c(c3ccccc3[nH]2)c1
+c1ccc2c(ccc(c2c1)O)F
+c1ccc2c(cccc2OC)c1[N+]([O-])=O
+c1ccc2c(sc(-c3cccnc3N)n2)c1
+c1ccc2c(sc(c2)C(=O)O)c1
+c1ccc2c(sc(n2)NN)c1
+c1ccc2c(scc2)c1
+c1ccc2c3C(C=O)CCSc3[nH]c2c1
+c1ccc2c3c4c(ccc13)ccc(c4cc2)CO
+c1ccc2ccc(OC)cc2c1CCO
+c1ccc2cccc(C)c2c1O
+c1ccc2ccccc2n1
+c1ccc2nc([nH]c2c1)CNC
+c1ccc2nn(nc2c1)CC(O)=O
+c1cccc(-c2ccc(O)nn2)c1O
+c1cccc(-c2ccn[nH]2)c1O
+c1cccc(C(Cl)=O)c1I
+c1cccc(N)c1C(Nc2ccc(Cl)c(c2)Cl)=O
+c1cccc(OC)c1C2NCCC(C2)O
+c1cccc(OC)c1OC(C#N)C
+c1cccc(OCCCCl)c1C(C)=O
+c1cccc([N+]([O-])=O)c1C(CBr)=O
+c1cccc(c1CN)Sc2c(cccc2)CO
+c1cccc2-c3ccccc3C(c12)COC(=O)NCCO
+c1cccc2-c3ccccc3C(c12)COC(=O)NCCOCCOCC(=O)O
+c1cccc2-c3ccccc3C(c12)COC(NCC(=O)O)=O
+c1cccc2C(=C(OC(c12)=O)C(O)C)Br
+c1cccc2C(=O)N(C(=O)c12)C3CCC(CC3)C(Br)C(=O)Nc4c(O)c5c(ccc(n5)OC)nc4
+c1cccc2C(=O)N(C(=O)c12)C3CCC(CC3)O
+c1cccc2C(=O)N(C(=O)c12)Cc3c(C=O)cc4c(n3)cccc4F
+c1cccc2C(=O)N(C)C=C(Br)c12
+c1cccc2C(=O)NC(=O)c12
+c1cccc2CC(N)CNc12
+c1cccc2CCCC(=O)c12
+c1cccc2CCCCC(=O)c12
+c1cccc2Cn3cccc3CNc12
+c1cccc2N3CCCCCC3C(=O)Nc12
+c1cccc2[nH]cc(c12)C=3C(=O)N(C)C(C=3Br)=O
+c1cccc2c(c([N+]([O-])=O)cnc12)Cl
+c1cccc2c(c(cnc12)N)Cl
+c1cccc2c(ccc(Br)c12)N
+c1cccc2c(ccnc12)CC#N
+c1cccc2c1-c3ccccc3C2(C(=O)O)O
+c1cccc2c1-n3c(c(nc3)C#N)CN(C)C2=O
+c1cccc2c1C(=O)N(C2=O)CC=CC(CC)=CC
+c1cccc2c1CC(C2)N
+c1cccc2c1CCC(CC2)=O
+c1cccc2c1OC(CO)CO2
+c1cccc2c1c3ccccc3n2CCCO
+c1cccc2c1cc3ccccc3c2-c4c5ccccc5c(C)cc4
+c1cccc2c1snc2NCCN
+c1cccc2cc(ccc12)C(O)=O
+c1cccc2ccc3c4CCCCc4c(cc3c12)C
+c1cccc2nc(Cl)c3n(ccn3)c12
+c1cccc2nc(cc(c12)Nc3cc(O)ccc3)C
+c1cccc2nc(cnc12)Cl
+c1cccc2nc(oc12)Cl
+c1ccccc1
+c1ccccc1-c2[nH]nc3ccc([N+](=O)[O-])cc23
+c1ccccc1-c2c(-c3ccc(cc3)CO)nc4ccnc(O)c4c2
+c1ccccc1-c2c(-c3ccccc3)cccc2
+c1ccccc1-c2c(C(=O)NCCCCl)c(C)on2
+c1ccccc1-c2c(C(=O)OC)ccc(C)c2
+c1ccccc1-c2c(CCC(=O)O)cccc2
+c1ccccc1-c2c(Cl)nc3c(cc(F)cc3)c2Cl
+c1ccccc1-c2c(F)c(C(=O)OC)c[nH]2
+c1ccccc1-c2c(F)cc(-c3nc4c(c(n3)O)cc(c(OC)c4)OC)cc2
+c1ccccc1-c2c(N)cc(cc2S)C(O)=S
+c1ccccc1-c2c(N)ccc(c2)C
+c1ccccc1-c2c(O)c3c(cccc3C)nn2
+c1ccccc1-c2c([nH]c3c2C(CCC3)=O)C
+c1ccccc1-c2c(c(C(=O)O)no2)CCC
+c1ccccc1-c2c(c(C(OCC)=O)c(CC3CCC(C)(C)CC3)nc2O)O
+c1ccccc1-c2c(c(C)on2)C(NN)=O
+c1ccccc1-c2c(c(N)nc(c2C#N)S)C#N
+c1ccccc1-c2c(c(c3c(n2)cc(Cl)cc3)C(=O)O)C
+c1ccccc1-c2c(c3c(Br)cccc3[nH]2)C
+c1ccccc1-c2c(c3n(n2)cccc3)-c4nnc(O)cc4
+c1ccccc1-c2c(cc(C(=O)O)cc2[N+]([O-])=O)S(=O)(=O)Cl
+c1ccccc1-c2c(cc3cc(ccc3c2OC(=O)C)OC)C
+c1ccccc1-c2c(ccc(Cc3c(c(c(OC)c(c3OC)OC)OC)C)c2)C(OC)=O
+c1ccccc1-c2c(nc3cc(ccn23)C=O)C(=O)OCC
+c1ccccc1-c2c(nc3ccc(F)cc3c2C(=O)OC)CC
+c1ccccc1-c2c(nc3n(nc4ccc(cc34)F)c2Cl)Cl
+c1ccccc1-c2c(nc[nH]2)-c3ccccc3
+c1ccccc1-c2c(nnc(Cl)c2)Cl
+c1ccccc1-c2c(oc3nc(nc(c23)O)SC)Br
+c1ccccc1-c2c3c4c([nH]2)c(Cl)ccc4C(CC3)=O
+c1ccccc1-c2c[nH]cc2C(OC)=O
+c1ccccc1-c2cc(C(C)C)nc(c2C#N)O
+c1ccccc1-c2cc(C(O)=O)sc2CC
+c1ccccc1-c2cc(N)n(CC(=O)OCC)n2
+c1ccccc1-c2cc(N)sc2Cc3ccccc3
+c1ccccc1-c2cc(Nc3ccc(cc3)CC(C(O)CCl)N)ncn2
+c1ccccc1-c2cc(c(cc2)C(C(OC)=O)C(OC)=O)[N+]([O-])=O
+c1ccccc1-c2cc(cc3n(cnc23)C)N(C=O)C
+c1ccccc1-c2cc(n[nH]2)N
+c1ccccc1-c2cc(ncn2)N
+c1ccccc1-c2cc3c(oc2CC#N)ccc3
+c1ccccc1-c2cc3ccccc3[nH]2
+c1ccccc1-c2cc3n(c(Cl)c(C(C(OC)=O)O)c(C)n3)n2
+c1ccccc1-c2cc3n(c(cc(Cl)n3)Cl)n2
+c1ccccc1-c2cc3n(c2)cccc3
+c1ccccc1-c2ccc(C)c(C#N)n2
+c1ccccc1-c2ccc(cc2)-c3c(C(=O)OCC)con3
+c1ccccc1-c2ccc(cc2)B(O)O
+c1ccccc1-c2ccc(cc2)CBr
+c1ccccc1-c2ccc(cc2)CC(N)C(=O)N(C)C
+c1ccccc1-c2ccc(cc2)CNC3CC(CC3)C(O)=O
+c1ccccc1-c2ccc(cc2C)Br
+c1ccccc1-c2ccc3OCCc3c2N
+c1ccccc1-c2ccc3c(c(F)c(C(=O)Cl)s3)c2
+c1ccccc1-c2ccc3c(cc(cc3)C(c4c(nccn4)Cl)N)n2
+c1ccccc1-c2cccc(c2)-c3cc(ncn3)Nc4ccc(cc4)N(CCO)CC
+c1ccccc1-c2ccccc2-c3c(OC)ccc(c3)F
+c1ccccc1-c2ccccc2B(O)O
+c1ccccc1-c2ccccc2C=CCBr
+c1ccccc1-c2ccccc2N=C=O
+c1ccccc1-c2cccnc2C=O
+c1ccccc1-c2ccn(CC(=O)O)n2
+c1ccccc1-c2ccnc(Cl)c2[N+](=O)[O-]
+c1ccccc1-c2cn(c(CNC(OCc3ccccc3)=O)n2)S(=O)(=O)N(C)C
+c1ccccc1-c2cn3-c4c(Nc5ccccc5-c3n2)nccc4
+c1ccccc1-c2cnc(O)cn2
+c1ccccc1-c2cnc(nc2O)SC
+c1ccccc1-c2csc(C3(CCOCC3)CN)c2
+c1ccccc1-c2csc3nc(CCl)nc(O)c23
+c1ccccc1-c2csc3nc(nc(Cl)c23)Cl
+c1ccccc1-c2csc3nc(ncc23)Cl
+c1ccccc1-c2n3c(nc2C)ccc(C(=O)OC)c3
+c1ccccc1-c2n[nH]cc2
+c1ccccc1-c2nc([nH]c2-c3ccccc3)SCCCCCCCC(O)=O
+c1ccccc1-c2nc(cs2)C(=O)OC
+c1ccccc1-c2nc(nc(-c3ccccc3)n2)Cl
+c1ccccc1-c2nc3c(ccc(OC)c3C(OC)=O)nc2Cl
+c1ccccc1-c2nc3sc(C(=O)OCC)c(N)c3c(-c4cccc(c4)[N+](=O)[O-])n2
+c1ccccc1-c2ncc(-c3nncn3-c4c(cccc4)Br)cc2
+c1ccccc1-c2ncc([nH]2)C=O
+c1ccccc1-c2ncc(nc2-c3ccccc3)Cl
+c1ccccc1-c2nn3c(cc(N)cc3)n2
+c1ccccc1-c2nnc(Cl)cc2
+c1ccccc1-c2sc(C#N)c(N)c2
+c1ccccc1-c2sc(C)nc2C(O)=O
+c1ccccc1-c2sc(CCCOC)c(C(OCC)=O)n2
+c1ccccc1-c2sc(NC(=O)CBr)nn2
+c1ccccc1-c2sc3c(c(C)ccc3)n2
+c1ccccc1-n2c(-c3ccccc3)nc4c2ncnc4O
+c1ccccc1-n2c(N)c(C)c(Oc3ccccc3)n2
+c1ccccc1-n2c(N)cc(n2)C(C)(C)C(=O)OCC
+c1ccccc1-n2cc(C)c(C(=O)OCC)n2
+c1ccccc1-n2cc(C=O)c(OCc3ccccc3)n2
+c1ccccc1-n2cc(c(-c3oc([N+](=O)[O-])cc3)n2)C(O)=O
+c1ccccc1-n2ccc(n2)C=O
+c1ccccc1-n2nc(C(OCC)=O)cc2N
+c1ccccc1-n2nc(c(C(OCC)=O)c2N)SC
+c1ccccc1-n2nc(c(C)n2)C(=O)O
+c1ccccc1-n2nc(c3ccc(cc23)[N+]([O-])=O)SC
+c1ccccc1-n2nc(cc2N)-c3cccnc3
+c1ccccc1-n2nc(cc2OCC(OCc3ccccc3)=O)C(OCC)=O
+c1ccccc1-n2nc3c(c2N)CCCC3
+c1ccccc1-n2nc3c(c2N)cccc3
+c1ccccc1-n2ncc(Br)c2
+c1ccccc1-n2ncc3C(N(C(c4ccc(cc4)Br)=Nc23)c5ccc(cc5)Cl)=O
+c1ccccc1C#C
+c1ccccc1C#C[Mg]Br
+c1ccccc1C(=C(C(=O)OCC)c2ccc(cc2)OCOC)CC
+c1ccccc1C(=O)C(Br)C(OCC)=O
+c1ccccc1C(=O)C=2C(=O)N(C(=O)N(C)C=2C)C
+c1ccccc1C(=O)C=O
+c1ccccc1C(=O)CC
+c1ccccc1C(=O)CCC(C2CCC(CC2)CCC)=O
+c1ccccc1C(=O)CCCCCC
+c1ccccc1C(=O)CCCCl
+c1ccccc1C(=O)CN(Cc2ccc(Cl)cc2Cl)C
+c1ccccc1C(=O)Cc2ccccc2
+c1ccccc1C(=O)N2C3CCCCC3NC2=O
+c1ccccc1C(=O)N2CC(C)NCC2
+c1ccccc1C(=O)NC(C(CC(OCC)=O)=O)C
+c1ccccc1C(=O)NCC(O)=O
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+c1ccccc1C(=O)OC2CC3OC(=O)CC3C2CCC(COc4cccc(c4)Cl)O
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+c1ccccc1C(=O)OCC(COc2c3c(on2)ccc(c3)Cl)N
+c1ccccc1C(=O)OCCl
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+c1ccccc1C(=O)c2cc(ccc2N)Cl
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+c1ccccc1C(=O)c2ccc([N+]([O-])=O)c(C(OC)OC)c2
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+c1ccccc1C(C)(C)C(=O)C(=O)O
+c1ccccc1C(C)(C)CCl
+c1ccccc1C(C)(C)N
+c1ccccc1C(C)(C)c2nnc(N)s2
+c1ccccc1C(C)Br
+c1ccccc1C(C)C
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+c1ccccc1C(C)N2CC(CC2=O)C(=O)N(C)OC
+c1ccccc1C(C)N2CCC(CI)C2C(=O)OC
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+c1ccccc1C(C)NC(C(C(N)CCCC)O)=O
+c1ccccc1C(C2CCN(CC2)C(OCc3ccccc3)=O)C(=O)O
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+c1ccccc1C(C=C)c2cc(Br)cc([N+]([O-])=O)c2OCCC
+c1ccccc1C(CC#N)Cc2ccccc2OC
+c1ccccc1C(CC(OCC)=O)=O
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+c1ccccc1C(CC)N2CCNCC2
+c1ccccc1C(CC=C)(O)C
+c1ccccc1C(CCC(c2cc3c(cc2)cc(OC)cc3)=O)=O
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+c1ccccc1C(Cc2c(c(ccc2)OC)OC)CC#N
+c1ccccc1C(Cl)=O
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+c1ccccc1C(N)CC
+c1ccccc1C(N)CN2CCC(C2)O
+c1ccccc1C(NC(OCc2ccccc2)=O)C(O)=O
+c1ccccc1C(NN)=O
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+c1ccccc1C(Nc2ccc(cc2)C=CC(=O)OC)=O
+c1ccccc1C(Nc2cncc(c2)Br)CO
+c1ccccc1C(O)C(C)N
+c1ccccc1C(O)CCCCCNc2c3ccccc3ncc2[N+]([O-])=O
+c1ccccc1C(O)COC2CCC(CC2F)OCc3ccccc3
+c1ccccc1C(OCC)=O
+c1ccccc1C(c2c(-n3cncc3)ccc(Br)c2)=O
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+c1ccccc1C(c2c(sc3CCCCc23)N)=O
+c1ccccc1C(c2cc(c(C(C(OCC)=O)C(OCC)=O)cc2)[N+]([O-])=O)=O
+c1ccccc1C(c2cc3c(N=CS3=O)cc2)=O
+c1ccccc1C(c2ccc(N)c(N)c2)=O
+c1ccccc1C(c2ccc(cc2)Cl)N
+c1ccccc1C(c2ccc3[nH]ccc3c2)CC(=O)OCC
+c1ccccc1C(c2ccccc2)(C#N)CCCN(C)Cc3ccccc3
+c1ccccc1C(c2ccccc2)(C#N)CN(CC)CC
+c1ccccc1C(c2ccccc2)(C)C(C#N)O
+c1ccccc1C(c2ccccc2)(C3CCNCC3)O
+c1ccccc1C(c2ccccc2)(C=O)CC#N
+c1ccccc1C(c2ccccc2)(CC3CCNCC3)O
+c1ccccc1C(c2ccccc2)(CNC(=O)OC(C)(C)C)C=O
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CC5C(CCC5NC(=O)Nc6cc(cc(CC)c6)-c7n(nnn7)C)C4
+c1ccccc1C(c2ccccc2)(c3ccccc3)N4CC5CCC(N6CCCC(C6)Cc7ccc(cc7)F)C5C4
+c1ccccc1C(c2ccccc2)(c3ccccc3)NC(C(C(C)C)O)CC
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+c1ccccc1C(c2ccccc2)(c3ccccc3)SCC4OC(C(CCCCCCC)C4)=O
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c(nc(c4)CCCO)F
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4c5c(cc(c([N+]([O-])=O)c5)Br)c(-c6cc(ncc6)C)n4
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(CCC(=O)OC)nc4
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(Cc5ccc(nc5)N6C=C(Cl)C=CC6=O)nc4
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc([Sn](CCCC)(CCCC)CCCC)nc4
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(CC(=O)O)c4
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(CCl)c4
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4cnc(CO)c4
+c1ccccc1C(c2ccccc2)(c3ccccc3)n4ncc5cc(c(cc45)[N+](=O)[O-])CC(O)=O
+c1ccccc1C(c2ccccc2)=Nc3cc4N(CC(CCl)c4c5ccccc35)C(=O)OC(C)(C)C
+c1ccccc1C(c2ccccc2)C#N
+c1ccccc1C(c2ccccc2)C(=O)O
+c1ccccc1C(c2ccccc2)C(Cl)=O
+c1ccccc1C(c2ccccc2)C3CC(O)CCO3
+c1ccccc1C(c2ccccc2)C=O
+c1ccccc1C(c2ccccc2)CCBr
+c1ccccc1C(c2ccccc2)CN
+c1ccccc1C(c2ccccc2)N3CC(C3)(N4CCOCC4)CNC(OC(C)(C)C)=O
+c1ccccc1C(c2ccccc2)N3CC(C3)=O
+c1ccccc1C(c2ccccc2)N3CC(C3)C#N
+c1ccccc1C(c2ccccc2)N3CC(C3)Sc4ccc(cc4)Cl
+c1ccccc1C(c2ccccc2)N3CCC(CC3)CCCCN4C(c5ccccc5C4=O)=O
+c1ccccc1C(c2ccccc2)N3CCNCC3
+c1ccccc1C(c2ccccc2)N3c4c(cc(C)cc4)C(c5cc6OCOc6cc5O)(O)C3=O
+c1ccccc1C(c2ccccc2)N=C=O
+c1ccccc1C(c2ccccc2)Nc3c(I)cc(Cl)cc3
+c1ccccc1C(c2ccccc2)OC(C3=C(CSC4C(NC(=O)OC(C)(C)C)C(=O)N34)c5sc(nc5)N)=O
+c1ccccc1C(n2c3ccccc3cc2)CC(=O)OC
+c1ccccc1C2(C)CNc3cc(Br)ccc23
+c1ccccc1C2(C=CCC=C2)CC(=O)C
+c1ccccc1C2(CC(=O)C)CC(=O)N(CC2)C(c3ccc(cc3)Br)C
+c1ccccc1C2(CC2)c3nc4c(nc(-c5ccc(cc5F)C6OCCCO6)s4)cc3
+c1ccccc1C2(CCC2)C(=O)C
+c1ccccc1C2(CCC2)N
+c1ccccc1C2(CCN(C(O2)=O)C(C)c3ccc(cc3)Br)CC(C)(C)O
+c1ccccc1C2(CCNCC2)C(O)=O
+c1ccccc1C2(CCOCC2)C
+c1ccccc1C2(OC(=O)N(CC2)C(C)c3ccc(cc3)Br)CCC(NNC(=O)C)=O
+c1ccccc1C2(c3ccccc3)C(=O)N(CC)CC2C=C
+c1ccccc1C2(c3ccccc3)C=Cc4c(C(OCC)=O)[nH]nc4C2
+c1ccccc1C2(c3ccccc3)CCNCC2
+c1ccccc1C2=C(Cl)C(OC2=O)=O
+c1ccccc1C2=C(OC(=O)c3c2cc(Br)cc3)C(O)=O
+c1ccccc1C2=CC(C(=O)OC)=C3c4c(CN3C2=O)cccc4
+c1ccccc1C2=CCCn3c2ncc3
+c1ccccc1C2=CCN(CC2)CCC#C
+c1ccccc1C2=CCNCC2
+c1ccccc1C2=CSC(N2)=S
+c1ccccc1C2=NCC(=O)N(c3ccc(cc23)Cl)Cc4ccccc4
+c1ccccc1C2=NCc3n(c(nn3)C)-c4ccc(F)cc24
+c1ccccc1C2C(C(=O)N2)O
+c1ccccc1C2C(N=[N+]=[N-])C(Nc3ccccc3O2)=O
+c1ccccc1C2C(NC(=O)O2)C
+c1ccccc1C2CC2B(O)O
+c1ccccc1C2CC2C(=O)O
+c1ccccc1C2CCC(CC2)CC(=O)OCC
+c1ccccc1C2CCC(CC2)N
+c1ccccc1C2CCCC(C(=O)N2)N=[N+]=[N-]
+c1ccccc1C2CCCCNC2
+c1ccccc1C2CCCNC2=O
+c1ccccc1C2CCCNC2C(=O)O
+c1ccccc1C2CCc3c2nc(nc3Cl)Cl
+c1ccccc1C2CNCCN2
+c1ccccc1C2CNc3ccccc23
+c1ccccc1C2CO2
+c1ccccc1C2COC(N2)=O
+c1ccccc1C2N(C(CC2C(OC)=O)=O)C
+c1ccccc1C2NCCCC2N
+c1ccccc1C2NCCN(C)C2
+c1ccccc1C2Oc3c(C4(C(=O)N(C)C(SC)=N4)C2)cc(cc3)Br
+c1ccccc1C2Oc3ccc(cc3CC2)O
+c1ccccc1C2c3c(CCN(C)C2)ccs3
+c1ccccc1C2c3c(c(nc(n3)Cl)NC)C(=O)C2
+c1ccccc1C=2CCN(CC=2)CCCCc3c4c(ccc(C#N)c4)[nH]c3
+c1ccccc1C=2NC(NC=2c3ccccc3)=S
+c1ccccc1C=2NC(SC=2C)=S
+c1ccccc1C=2ONC(=O)C=2
+c1ccccc1C=C(C)C=O
+c1ccccc1C=CCN2CCC(CC2)N
+c1ccccc1C=Cc2cc(-c3[nH]c4c(C(NC(N4)=S)=O)c3)ccn2
+c1ccccc1C=NCC2OC(N(c3ccc(c(F)c3)C4CCNCC4)C2)=O
+c1ccccc1C=O
+c1ccccc1CBr
+c1ccccc1CC#N
+c1ccccc1CC(=O)C
+c1ccccc1CC(=O)CBr
+c1ccccc1CC(=O)Nc2cc(Br)cnc2
+c1ccccc1CC(=O)O
+c1ccccc1CC(C(CC(CCC(C)(C)F)C(=O)N)O)NC(=O)c2nc3ccccc3nc2
+c1ccccc1CC(C(O)=O)C
+c1ccccc1CC(C(O)=O)NC(OCc2ccccc2)=O
+c1ccccc1CC(C)(C)CO
+c1ccccc1CC(C)(N)C(O)=O
+c1ccccc1CC(CC(=O)OC)=O
+c1ccccc1CC(CC(C)=O)N2C(c3ccccc3C2=O)=O
+c1ccccc1CC(CCl)C
+c1ccccc1CC(CP(OC)(OC)=O)=O
+c1ccccc1CC(N)C(C(=O)N)O
+c1ccccc1CC(N)C(O)C(=O)OCC
+c1ccccc1CC(N)CN
+c1ccccc1CC(NCCc2c3cc(C=O)ccc3ccc2)=O
+c1ccccc1CC(O)C(=O)O
+c1ccccc1CC(O)CCCc2ccccc2C(=O)OC
+c1ccccc1CC(OCC)=O
+c1ccccc1CC(c2ccc(cc2)C3OCCO3)=O
+c1ccccc1CC(c2ccc(cc2)O)=O
+c1ccccc1CC2(C(OCC)=O)N(CCC2)C(OCc3ccccc3)=O
+c1ccccc1CC2=C(C=O)N=C3N(CCS3)C2=O
+c1ccccc1CC2C(=O)NCC(=O)N2C
+c1ccccc1CC2C3(CC(NCCS3)=O)CCCC2
+c1ccccc1CC2COC(=O)N2
+c1ccccc1CC2N(C(=O)C(CCCCC=C)CO)C(=O)OC2
+c1ccccc1CC2c3c(ccc(c3)N4CC(C4)N)OCC2NC(=O)OCC
+c1ccccc1CC=C
+c1ccccc1CC=Cc2cc([N+]([O-])=O)ccc2
+c1ccccc1CCBr
+c1ccccc1CCC(=O)Cl
+c1ccccc1CCC(C(=O)O)N
+c1ccccc1CCC(c2ccc(cc2)OCCO)=O
+c1ccccc1CCCC#C
+c1ccccc1CCCC(=O)O
+c1ccccc1CCCC(C(C)=O)(C)C(=O)OC
+c1ccccc1CCCC(C(C)O)n2c(c(C(=O)N)nc2)N
+c1ccccc1CCCC(C(O)=O)C
+c1ccccc1CCCC(C(OC)=O)C(C)=O
+c1ccccc1CCCC(CCCc2ccccc2)N
+c1ccccc1CCCCC#Cc2c(cc(cc2)C(=O)OCC)F
+c1ccccc1CCCCC(Cl)=O
+c1ccccc1CCCCCC
+c1ccccc1CCCCCC(O)=O
+c1ccccc1CCCCCCC
+c1ccccc1CCCCCCC(=O)O
+c1ccccc1CCCCCCCO
+c1ccccc1CCCCCCO
+c1ccccc1CCCCCO
+c1ccccc1CCCCI
+c1ccccc1CCCCOCC=C
+c1ccccc1CCCN
+c1ccccc1CCCN=C=O
+c1ccccc1CCCNC(c2c(C)nc(nc2-c3cc(Cl)cc(Cl)c3)SC)=O
+c1ccccc1CCCO
+c1ccccc1CCN
+c1ccccc1CCN2C3CCC2CC(C3)=C(c4ccccc4)c5ccc(cc5)C(OCC)=O
+c1ccccc1CCNC(=O)C(=O)Nc2ccc(c(F)c2)OCc3ccccc3
+c1ccccc1CCNc2c(S(=O)(=O)N)cc(cc2[N+]([O-])=O)C(O)=O
+c1ccccc1CCO
+c1ccccc1CCOCCC(N(CC(OC)OC)C)=O
+c1ccccc1CCOCCC=O
+c1ccccc1CCOc2ccc(cc2CCCC#N)Cl
+c1ccccc1CC[Mg]Br
+c1ccccc1CC[Mg]Cl
+c1ccccc1CCc2ccnc(c2)O
+c1ccccc1CN
+c1ccccc1CN(C)CCCN2CCCCCC2
+c1ccccc1CN(Cc2ccccc2)C(CO)C(=O)OC
+c1ccccc1CN(Cc2ccccc2)C3CC(C(C)C3)c4cnc5cnc6n(ccc6n45)S(=O)(=O)c7ccc(cc7)C
+c1ccccc1CN(Cc2ccccc2)C3CCC(CC3)C(C)(C)O
+c1ccccc1CN(Cc2ccccc2)C3COC(C(=O)OC)CC3
+c1ccccc1CN(Cc2ccccc2)c3c(c(-c4[nH]ncc4-c5ccncc5)c(F)cc3)F
+c1ccccc1CN(Cc2ccccc2)c3c(c(CC(=O)C(OCC)=O)ccn3)[N+]([O-])=O
+c1ccccc1CN(Cc2ccccc2)c3c(c(Cl)ncn3)[N+](=O)[O-]
+c1ccccc1CN(Cc2ccccc2)c3c(c(ccc3)[N+](=O)[O-])C4OCCO4
+c1ccccc1CN(Cc2ccccc2)c3nc4ccccc4c5c3[nH]cn5
+c1ccccc1CN(c2c(CC(O)=O)cc(cc2F)[N+](=O)[O-])C
+c1ccccc1CN2C(=O)C(C(OCC)=O)=C(c3cc(Cl)ccc23)O
+c1ccccc1CN2C(C(=O)N)CCC(C)(C)C2
+c1ccccc1CN2C(C(=O)O)C(OCC2=O)C
+c1ccccc1CN2C(C)=CC(=CC2=O)O
+c1ccccc1CN2C(C)=CC(C3=C2N(C)C(N(CCCCC(C)OC(=O)C)C3=O)=O)=O
+c1ccccc1CN2C(C)COC(CC=O)(C)C2=O
+c1ccccc1CN2C(CC(=O)OC)COCC2
+c1ccccc1CN2C(CCO)COC(C2=O)C
+c1ccccc1CN2C=C(C(OCC)=O)C(=O)N2
+c1ccccc1CN2CC(C(C(OC)=O)C2)c3ccc(Cl)c(c3)Cl
+c1ccccc1CN2CC(C(C(Oc3ncc(C#N)cc3)C)C2)c4cc(c(Cl)cc4)Cl
+c1ccccc1CN2CC(C(C2)C(Oc3ncc(Cl)cc3)C)c4cc(c(Cl)cc4)Cl
+c1ccccc1CN2CC(C(CC2)C(OCC)=O)=O
+c1ccccc1CN2CC(C(O)=O)C(C2)c3cc(Cl)c(cc3)Cl
+c1ccccc1CN2CC(C(OCC)=O)C3(c4ccccc4CCC3)C2
+c1ccccc1CN2CC(CCC2)=O
+c1ccccc1CN2CC(N(Cc3ccccc3)CC2)C=C
+c1ccccc1CN2CC(c3cc(c(cc3)Cl)F)C([N+](=O)[O-])C2
+c1ccccc1CN2CC3(CC2)CO3
+c1ccccc1CN2CC3(CC3)CC2CO
+c1ccccc1CN2CC3C(C(C(CC3)C)=O)C2
+c1ccccc1CN2CC3C(CCC3C2)=O
+c1ccccc1CN2CC3C(c4cc([N+]([O-])=O)ccc4)(C)C3C2=O
+c1ccccc1CN2CC3C=CC(=O)C3C2
+c1ccccc1CN2CCC(C(CC)(CC)C2)=O
+c1ccccc1CN2CCC(CC2(C)C)=O
+c1ccccc1CN2CCC(CC2)CCN
+c1ccccc1CN2CCC(CC2)CCl
+c1ccccc1CN2CCC(CC2)N
+c1ccccc1CN2CCC(CC2)N3Cc4cccc(F)c4NC3=O
+c1ccccc1CN2CCC(CC2)N3c4c(C=CC3=O)ccc(NC(=O)C)c4
+c1ccccc1CN2CCC(CC2)NC
+c1ccccc1CN2CCC(CC2)NC(=O)c3cncc(c3)C
+c1ccccc1CN2CCC(CC2)NCCNc3ccccc3
+c1ccccc1CN2CCC(CC2)O
+c1ccccc1CN2CCC(O)C(F)(F)C2
+c1ccccc1CN2CCCC(O)(c3cccc(c3)OC)C2
+c1ccccc1CN2CCCCC2=O
+c1ccccc1CN2CCN(Cc3ccccc3)C(COCCCCCCCCCCCC)C2
+c1ccccc1CN2CCOCC2=O
+c1ccccc1CN2CCc3c(C2)c(c4c(ccc(C#N)c4)n3)Cl
+c1ccccc1CN2CCc3c(ccnc3O)C2
+c1ccccc1CN2CCc3cc(nnc3C2)O
+c1ccccc1CN2CCc3nc(Cl)nc(c3C2)Cl
+c1ccccc1CN2Cc3c(C2)c([nH]n3)C(=O)OCC
+c1ccccc1CN2Cc3c(ncnc3O)CC2
+c1ccccc1CN2Cc3ccc(nc3CC2)O
+c1ccccc1CN2Cc3n(CC2)cnc3C(=O)OC
+c1ccccc1CN2Cc3n(nc(CO)c3)CC2
+c1ccccc1CN2N=C(c3ccccc3)C(C(=C)OCC)=CC2=O
+c1ccccc1CN2N=CC(I)=CC2=O
+c1ccccc1CN2c3c(ccc(C=O)c3CCC2=O)O
+c1ccccc1CN=C=O
+c1ccccc1CN=[N+]=[N-]
+c1ccccc1CNC
+c1ccccc1CNC(=O)C(C(=O)NC(C(OC)=O)C2CCCCC2)Cc3ccc(cc3)C#N
+c1ccccc1CNC(=O)NOCC(O)=O
+c1ccccc1CNC(=O)c2ccc(Sc3ccc(cc3)O)c(c2)N
+c1ccccc1CNC(C)C
+c1ccccc1CNC(Cc2cc(ccc2F)F)CC(OCC)=O
+c1ccccc1CNC2CCN(C(=O)OC)CC2C
+c1ccccc1CNCC2CCC(CC2)O
+c1ccccc1CNCC2c3c[nH]c4cccc(C(=O)NC2)c34
+c1ccccc1CNCCC(=O)OCC
+c1ccccc1CNCCCl
+c1ccccc1CNCCO
+c1ccccc1CNCCOc2c(cccc2)OC
+c1ccccc1CNCc2ccccc2
+c1ccccc1CNS(=O)(=O)c2ccccc2C(N)=O
+c1ccccc1COC(=O)C(C)N
+c1ccccc1COC(=O)C(NC(=O)C(N)C)CC(C)C
+c1ccccc1COC(=O)C=C(N)CCC
+c1ccccc1COC(=O)C=Cc2cnc(cc2)N
+c1ccccc1COC(=O)CCc2cccc(OCc3ccccc3)c2
+c1ccccc1COC(=O)N(C(=O)OCc2ccccc2)C(=S)NCC
+c1ccccc1COC(=O)N(C)CC(O)=O
+c1ccccc1COC(=O)N2C(C(=O)OC)CC(OC3CC3)C2
+c1ccccc1COC(=O)N2C(C(N)=O)Cc3c([nH]c4ccccc34)C2
+c1ccccc1COC(=O)N2C(CCC2)c3ncc4n3ccnc4Cl
+c1ccccc1COC(=O)N2CC(C(N=[N+]=[N-])CCC2C)O
+c1ccccc1COC(=O)N2CC(N=[N+]=[N-])CCC2C
+c1ccccc1COC(=O)N2CCC(CC2C(OC)=O)=O
+c1ccccc1COC(=O)N2CCCC2C(=O)NCCO
+c1ccccc1COC(=O)N2CCCC2C(Nc3c(O)c(ccc3)C(OC)=O)=O
+c1ccccc1COC(=O)N2CCCCC2C(O)=O
+c1ccccc1COC(=O)NC(C(=O)O)CC2CCCCC2
+c1ccccc1COC(=O)NC(C(=O)O)CO
+c1ccccc1COC(=O)NC(C(C)C)C(=O)Nc2cccc(c2C(O)=O)C
+c1ccccc1COC(=O)NC(C(CC(O)=O)O)CC(C)C
+c1ccccc1COC(=O)NC(C(OCC)=O)CCC(O)=O
+c1ccccc1COC(=O)NC(C2OC2)Cc3cc(F)cc(F)c3
+c1ccccc1COC(=O)NC(CC(C)C)C(=O)O
+c1ccccc1COC(=O)NC(CCSC(=O)C)C(O)=O
+c1ccccc1COC(=O)NC(CCSC)C(=O)O
+c1ccccc1COC(=O)NC(Cc2nc[nH]c2)C(N=[N+]=[N-])=O
+c1ccccc1COC(=O)NC(P(OC)(OC)=O)C(=O)OC
+c1ccccc1COC(=O)NC2C(C)(C)C(C)(C(=O)OC)CC2
+c1ccccc1COC(=O)NC2C(C)C(C3CC3)Nc4ccc(cc24)Br
+c1ccccc1COC(=O)NC2C(N(CC2)C3CCC(N)CC3CS(=O)(=O)C(C)C)=O
+c1ccccc1COC(=O)NC2C(OC)CN(c3nc(c(o3)C(OCC)=O)C)CC2
+c1ccccc1COC(=O)NC2CCN(C(OCc3ccccc3)=O)C2CO
+c1ccccc1COC(=O)NC2CCN(CC2OCCC)c3cccc(C(OC)=O)c3
+c1ccccc1COC(=O)NC2CN(C#N)C3Cc4c[nH]c5cccc(C3C2)c45
+c1ccccc1COC(=O)NC2c3c(ccc(OC)n3)NC(C2)CC
+c1ccccc1COC(=O)NC2c3cc(Br)ccc3NC(C)C2C
+c1ccccc1COC(=O)NCC2CC(N)CCC2
+c1ccccc1COC(=O)NCC2CNCC2
+c1ccccc1COC(=O)NCCC#C
+c1ccccc1COC(=O)NCCCCN
+c1ccccc1COC(=O)NCCCCNC(NNC(OCC)=O)=O
+c1ccccc1COC(=O)NCCCCO
+c1ccccc1COC(=O)NCCc2nnc3N(CCCCC)c4c([nH]cn4)C(=O)n23
+c1ccccc1COC(=O)Nc2c(nc(cc2)C)O
+c1ccccc1COC(=O)Nc2ccc(Oc3cc(C(=O)OC)ncc3)c(F)c2
+c1ccccc1COC(C(c2cc(ccc2)N=C=O)C)=O
+c1ccccc1COC(C2C(C)(C)C(NC(=O)C)C2)=O
+c1ccccc1COC(C2CCCN2)=O
+c1ccccc1COC(C2N(C(CCCCCCC)=O)CCC2)=O
+c1ccccc1COC(CN)=O
+c1ccccc1COC(N(CC(N(C)c2ccc(cc2)C(OC)=O)=O)C)=O
+c1ccccc1COC(N(CCCC(=O)O)C)=O
+c1ccccc1COC(N2C(=O)NCC2C(=O)O)=O
+c1ccccc1COC(N2C(C(OC)=O)CC(N(C)C)C2)=O
+c1ccccc1COC(N2C(C)CC(N)(C(OC)=O)CC2)=O
+c1ccccc1COC(N2C(C)CCC(C2)OC(c3ccc(cc3)[N+](=O)[O-])=O)=O
+c1ccccc1COC(N2C(CC(O)C2)C(O)=O)=O
+c1ccccc1COC(N2C(CC(OS(=O)(=O)C)C2)COCCO)=O
+c1ccccc1COC(N2C(CCC2)C(O)=O)=O
+c1ccccc1COC(N2C3CC(C(C3)O)C2)=O
+c1ccccc1COC(N2CC(O)CC2C(OC)=O)=O
+c1ccccc1COC(N2CCC(=O)C3C2CCCC3)=O
+c1ccccc1COC(N2CCC(C(C2)NC(=O)c3ccccn3)O)=O
+c1ccccc1COC(N2CCC34C(CCCC3)C2Cc5cc(c(cc45)O)[N+](=O)[O-])=O
+c1ccccc1COC(N2CCCC(C)C2C(=O)O)=O
+c1ccccc1COC(N2CCCC23C(N(C3)CC(=O)OCC)=O)=O
+c1ccccc1COC(N2CCCC2c3ccc(cc3)Br)=O
+c1ccccc1COC(N2c3c(cc(N4CC(CO)OC4=O)cc3)CCCC2)=O
+c1ccccc1COC(NC(C(=O)OC)=Cc2cc3c([nH]nc3)c(c2)C)=O
+c1ccccc1COC(NC(C(C)C)C(=O)OC2CCC(CC2)C(OCc3ccc(cc3)OC)=O)=O
+c1ccccc1COC(NC(C(C)C)C(O)=O)=O
+c1ccccc1COC(NC(C(O)=O)CN)=O
+c1ccccc1COC(NC(C)C(O)=O)=O
+c1ccccc1COC(NC(C)Cn2c3c(ccc4OCC(Oc34)CO)cn2)=O
+c1ccccc1COC(NC(COC)C(=O)OC)=O
+c1ccccc1COC(NC(Cc2c(ccc(c2)Br)OC)C(OC)=O)=O
+c1ccccc1COC(NC(Cn2ncc3ccc(O)c(C=O)c23)C)=O
+c1ccccc1COC(NC2(CC2)C(=O)O)=O
+c1ccccc1COC(NC23CCCC(C(OCC)=O)(C2)CC3)=O
+c1ccccc1COC(NC2C(CCC2)C(=O)OC)=O
+c1ccccc1COC(NC2C(N(CC2)C3C(CC(N)CC3)C(CC)O)=O)=O
+c1ccccc1COC(NC2CC3(CS(C3)(=O)=O)C2)=O
+c1ccccc1COC(NC2CC=CCC2NC(OCc3ccccc3)=O)=O
+c1ccccc1COC(NC2CCC(CC2)=O)=O
+c1ccccc1COC(NC2CCC(CC2)N(C)C)=O
+c1ccccc1COC(NC2CCC(CC2)c3[nH]c(c(-c4nc(ccc4)C)n3)-c5cc6OCOc6cc5)=O
+c1ccccc1COC(NC2CCC(O)CC2CO)=O
+c1ccccc1COC(NC2CCCC(C2)C(O)=O)=O
+c1ccccc1COC(NC2CN(S(=O)(=O)c3ccc(Cl)cc3Cl)C4CN(C(C)C)C(C(Cc5ccc(cc5)Cl)N4C2=O)=O)=O
+c1ccccc1COC(NC2CN(c3cccc(c3)C(=O)OC)C2=O)=O
+c1ccccc1COC(NC2c3nc(sc3CC2)-c4ccc(cc4)OCCCCl)=O
+c1ccccc1COC(NCC(N)=N)=O
+c1ccccc1COC(NCC(O)=O)=O
+c1ccccc1COC(NCCC(O)=O)=O
+c1ccccc1COC(NCCCCN(C)Cc2ccc(cc2)CNCc3[nH]ccn3)=O
+c1ccccc1COC(NCCCCc2ccc(cc2)O)=O
+c1ccccc1COC(NCCCN)=O
+c1ccccc1COC(NCCCc2cc(C)nn2CC)=O
+c1ccccc1COC(Nc2ccc(cc2)Br)=O
+c1ccccc1COC(Nc2cccc(c2C)-c3cnc(C(OCC)=O)c4[nH]c5cc(OCCOC)ccc5c34)=O
+c1ccccc1COC(Nc2nn(c(C(=O)OC)c2)C)=O
+c1ccccc1COC(c2c(C)cc(C(OC)=O)cc2)=O
+c1ccccc1COC(c2cc(C=O)ccc2OC)=O
+c1ccccc1COC(c2cc(Cl)ccc2OCc3ccccc3)=O
+c1ccccc1COC2=C(OC(=CC2=O)C(S(=O)(=O)c3ccccc3)N)C(=O)O
+c1ccccc1COC2CC(C2)C(O)=O
+c1ccccc1COC2CC(C2)S(=O)(=O)O
+c1ccccc1COC2CC(N3C=C(C(NC3=O)=O)F)OC2CO
+c1ccccc1COC2CCCCC2N
+c1ccccc1COC=2C(=O)C=C(OC=2CO)CNS(=O)(=O)c3ccccc3Cl
+c1ccccc1COCC(=O)NCC(=O)c2c(C)onc2-c3ccccc3
+c1ccccc1COCC(CC)CO
+c1ccccc1COCC(O)=O
+c1ccccc1COCC23CC4(CC(CC4C2)C3)N
+c1ccccc1COCC2C(SC(=O)C)CCCO2
+c1ccccc1COCC2OC(CC2)=O
+c1ccccc1COCC2OCC3(N=C(SCC3C2)N)c4ccccc4F
+c1ccccc1COCC2Oc3cc(ccc3OC2)CCBr
+c1ccccc1COCC=C
+c1ccccc1COCCC(C(=O)OCC)CC=C
+c1ccccc1COCCC2(CC2)N
+c1ccccc1COCCC2(CO2)C
+c1ccccc1COCCC2CCC=C(C(=O)OC)C2
+c1ccccc1COCCCBr
+c1ccccc1COCCCC(=O)O
+c1ccccc1COCCCC(C(C(=O)OCC)Cl)=O
+c1ccccc1COCCCC(C)(C)COS(=O)(=O)CCCCl
+c1ccccc1COCCCC(CO)C
+c1ccccc1COCCCC2(CC2)S(=O)(=O)Cl
+c1ccccc1COCCCCC2(OCC(=O)CCC2)C
+c1ccccc1COCCCCCO
+c1ccccc1COCCCCO
+c1ccccc1COCCCN
+c1ccccc1COCCCc2ccc(cc2)Br
+c1ccccc1COCCN
+c1ccccc1COCCN2C(N(C(=O)C=C2NN)CCCC)=O
+c1ccccc1COCCOCCOCCO
+c1ccccc1COCc2cc(ncn2)O
+c1ccccc1COCc2nc(N)nc(N)c2-c3ccc(cc3)[N+](=O)[O-]
+c1ccccc1COCc2nc(O)c3c(ccc(OC)c3)n2
+c1ccccc1COCc2nc(c(cn2)C(OCC)=O)O
+c1ccccc1COCc2ncc([N+](=O)[O-])c(n2)O
+c1ccccc1COCn2c(C)c(C#CCCO)c3nc(CCCC)nc(c23)N
+c1ccccc1CON
+c1ccccc1CON2C(=O)C(=C(O)c3cncnc23)C(=O)OCC
+c1ccccc1CON2C(=O)c3c(cc(F)c(F)c3)NC2=O
+c1ccccc1CON2c3ncc(Br)cc3C(=C(C(OCC)=O)C2=O)O
+c1ccccc1CONCC(C(C(O)CC(O)P(OCC)(OCC)=O)O)O
+c1ccccc1COP(OCc2ccccc2)(OCCl)=O
+c1ccccc1COc2[n+](ccc(C)c2)N
+c1ccccc1COc2c(C#N)cc3c(nccc3Oc4cc(F)c(N)cc4)c2
+c1ccccc1COc2c(C#N)nccc2
+c1ccccc1COc2c(C(=O)CBr)cccc2
+c1ccccc1COc2c(C(=O)OCc3ccccc3)cc4cc(ccc4c2)OCc5ccccc5
+c1ccccc1COc2c(C(OC)=O)cc(cc2)C(CBr)O
+c1ccccc1COc2c(C(OC)=O)nc(O)cc2
+c1ccccc1COc2c(C)c(cc(C)c2)[N+](=O)[O-]
+c1ccccc1COc2c(C)cc(Oc3cccc(C(O)=O)c3)cc2
+c1ccccc1COc2c(CC(O)CO)c(cc3CCCc23)Cl
+c1ccccc1COc2c(CC)cc(Br)cc2C
+c1ccccc1COc2c(O)ccc(c2)CC
+c1ccccc1COc2c(OC)cc3nc(nc(c3c2)N)Cl
+c1ccccc1COc2c(OC)ccc(C=O)c2
+c1ccccc1COc2c([N+](=O)[O-])c(C)ccc2
+c1ccccc1COc2c(c([N+]([O-])=O)cc(Br)c2)N(C(=O)C)CCOC
+c1ccccc1COc2c(cc(C(=O)C)c(c2)OCc3ccccc3)C(C)C
+c1ccccc1COc2c(cc(c(OCc3ccccc3)c2)C(OC)=O)Br
+c1ccccc1COc2c(cc(cc2)C=O)C(=O)OC
+c1ccccc1COc2c(cc(cc2)CC(O)=O)C
+c1ccccc1COc2c(cc(nc2)C(O)=O)O
+c1ccccc1COc2c(cc3c(cc(nc3c2)C)O)Br
+c1ccccc1COc2c(cc3c(ncnc3Nc4ccc(Br)cc4F)c2)OC
+c1ccccc1COc2c(cc3c(ncnc3O)c2)OC
+c1ccccc1COc2c(cc3c(ncnc3c2)Nc4c(F)cc(Cl)cc4)OC
+c1ccccc1COc2c(ccc(c2)OCOC)C=CC(=O)OCC
+c1ccccc1COc2c(cccc2)B(O)O
+c1ccccc1COc2c(cccc2)C(N)=O
+c1ccccc1COc2c(cccc2C#N)CC(OC)=O
+c1ccccc1COc2c(ncc(Br)c2)Nc3scc(C)n3
+c1ccccc1COc2c3CCCc3ccc2CC(O)CO
+c1ccccc1COc2c3c([nH]c(c3)C(OC)=O)ccc2OC
+c1ccccc1COc2c3c([nH]cc3)ccc2
+c1ccccc1COc2c3c(cc(CC(OC)=O)c2)ccc(F)c3
+c1ccccc1COc2c3cc(-c4cn5nc(Br)sc5n4)oc3ccc2
+c1ccccc1COc2c3nc(cc(C=C)c3ccc2)C
+c1ccccc1COc2cc(-c3cn(C4CC(C4)C(=O)OC)c5c3c(N)ncn5)ccc2
+c1ccccc1COc2cc(-c3cn(C4CC(C4)CO)c5c3c(N)ncn5)ccc2
+c1ccccc1COc2cc(-c3cn(c4ncnc(N)c34)-c5cccc(c5)OCCCl)ccc2OC
+c1ccccc1COc2cc(-c3nc4c([nH]3)ncc(c4)C(OCC)=O)c(cc2)OC(C)C
+c1ccccc1COc2cc(C(O)=O)c(cc2)C
+c1ccccc1COc2cc(C)c(C(O)C(C(OC)=O)OCC)cc2
+c1ccccc1COc2cc(Cl)c(C=C(N=[N+]=[N-])C(OCC)=O)cc2
+c1ccccc1COc2cc(Cl)cc3oc(C(=O)CBr)cc23
+c1ccccc1COc2cc(F)c(cc2)C(=O)O
+c1ccccc1COc2cc(F)c(cc2)NN=C(C(=O)COC)C(=O)OC
+c1ccccc1COc2cc(N)ccc2OCc3ccccc3
+c1ccccc1COc2cc(N3c4nc(nc(C)c4CC3=O)-c5ccc(OC)c(F)c5)ccc2
+c1ccccc1COc2cc(O)ccc2
+c1ccccc1COc2cc(O)ccc2C=CC(=O)OCC
+c1ccccc1COc2cc(O)ncc2
+c1ccccc1COc2cc(c(N)cc2OC)C(=O)OC
+c1ccccc1COc2cc(c(cc2)Br)C=O
+c1ccccc1COc2cc(c(cc2)C(O)=O)OC
+c1ccccc1COc2cc(cc(Br)c2O)C=O
+c1ccccc1COc2cc(cc(F)c2OC)C(=O)OC
+c1ccccc1COc2cc(cc3B(OC(CC(OCC)=O)c23)O)OC4CCCCO4
+c1ccccc1COc2cc(cc3c2cc(C(=O)CBr)o3)OC
+c1ccccc1COc2cc(ccc2)-c3c(cc(cc3)Cl)[N+](=O)[O-]
+c1ccccc1COc2cc(ccc2)-c3nc(C4CC(C4)CO)n5ccnc(c35)Cl
+c1ccccc1COc2cc(ccc2)C
+c1ccccc1COc2cc(ccc2)C=CCCl
+c1ccccc1COc2cc(ccc2)N
+c1ccccc1COc2cc(ccc2C3CC(=O)N(c4cccc(C#N)c4)C3)OC
+c1ccccc1COc2cc(ccc2CN)F
+c1ccccc1COc2cc(ccc2NC(C(=O)OC)=CC(O)=O)Br
+c1ccccc1COc2cc(ccc2O)-c3ncc(C=O)cc3
+c1ccccc1COc2cc(ccc2OC)C(CC(=O)OC)C[N+](=O)[O-]
+c1ccccc1COc2cc(ccc2OCCOC)[N+]([O-])=O
+c1ccccc1COc2cc(ccc2OCc3ccccc3)Br
+c1ccccc1COc2cc3CC(N4C(CC(C(=C4)C(=O)OCC)=O)c3cc2OC)C(C)(C)COC
+c1ccccc1COc2cc3CCCC(c3cc2)C(O)=O
+c1ccccc1COc2cc3c(C(C)=O)n[nH]c3cc2
+c1ccccc1COc2cc3c(Cl)c([N+](=O)[O-])cnc3cc2
+c1ccccc1COc2cc3c(NCC(C)(C)N)c(cnc3cc2)[N+](=O)[O-]
+c1ccccc1COc2cc3c([nH]cc3)cc2OC
+c1ccccc1COc2cc3c(c(CC(=O)OCC)c2)cccc3
+c1ccccc1COc2cc3c(c(ccn3)Oc4c(cc(cc4)[N+]([O-])=O)F)cc2OC
+c1ccccc1COc2cc3c(c(cnc3cc2F)C#N)Cl
+c1ccccc1COc2cc3c(cc2)CNCC3O
+c1ccccc1COc2cc3c(cc2)c(Nc4n[nH]c(CC(O)=O)c4)ncn3
+c1ccccc1COc2cc3c(cc2)cc[nH]3
+c1ccccc1COc2cc3c(cc2)n(cc3)Cc4cccc(c4)C(OC)=O
+c1ccccc1COc2cc3c(ncc(C#N)c3O)cc2OCCOC
+c1ccccc1COc2cc3cnc(c(c3cc2)O)C(OCC)=O
+c1ccccc1COc2cc3n(nc(C)c3C(N)=S)cc2
+c1ccccc1COc2cc3nc(cc(c3cc2)Cl)C
+c1ccccc1COc2cc3ncc(c(NCCO)c3cc2)[N+](=O)[O-]
+c1ccccc1COc2cc3ncc4c(sc(n4)CCC)c3cc2
+c1ccccc1COc2cc3nccc(Cl)c3cc2C#N
+c1ccccc1COc2cc3nccc(O)c3cc2
+c1ccccc1COc2cc3nccc(O)c3cc2OC
+c1ccccc1COc2ccc(Br)c(c2)O
+c1ccccc1COc2ccc(C#N)c(O)c2
+c1ccccc1COc2ccc(C(=O)C(OCC)O)c3c2NC(CO3)=O
+c1ccccc1COc2ccc(C(CBr)=O)cc2NS(=O)(=O)C
+c1ccccc1COc2ccc(C(O)CBr)c3SC(=O)Nc23
+c1ccccc1COc2ccc(C=O)cc2CO
+c1ccccc1COc2ccc(CNCCc3ncccc3)cc2CO
+c1ccccc1COc2ccc(Cl)c(CO)c2
+c1ccccc1COc2ccc(Cl)c3cc([nH]c23)C(OCC)=O
+c1ccccc1COc2ccc(Cl)cc2CBr
+c1ccccc1COc2ccc(Cl)cc2Cn3c(C)cc(C(O)=O)n3
+c1ccccc1COc2ccc(OC(C)C(=O)OCC)c(c2)F
+c1ccccc1COc2ccc(c(CC)c2)C=O
+c1ccccc1COc2ccc(c(OCc3ccccc3)c2)C=O
+c1ccccc1COc2ccc(cc2)-c3c(-c4ccncc4)c[nH]n3
+c1ccccc1COc2ccc(cc2)-c3c(C)c(C(=O)OCC)nn3-c4ccc(Cl)cc4Cl
+c1ccccc1COc2ccc(cc2)-c3c(I)cccc3-c4ccncc4
+c1ccccc1COc2ccc(cc2)-c3c(c(C(=O)O)nn3-c4c(Cl)cc(cc4)Cl)C
+c1ccccc1COc2ccc(cc2)-c3n4nccc4nc5CCCc35
+c1ccccc1COc2ccc(cc2)C(=O)CCC(C)=O
+c1ccccc1COc2ccc(cc2)C(=O)Cc3ccncc3
+c1ccccc1COc2ccc(cc2)C(Cl)=O
+c1ccccc1COc2ccc(cc2)C=3ONC(=O)C=3
+c1ccccc1COc2ccc(cc2)C=O
+c1ccccc1COc2ccc(cc2)CC(O)=O
+c1ccccc1COc2ccc(cc2)CC(OCC)=O
+c1ccccc1COc2ccc(cc2)CCCCCCCS(=O)(=O)O
+c1ccccc1COc2ccc(cc2)CCN
+c1ccccc1COc2ccc(cc2)CCl
+c1ccccc1COc2ccc(cc2)CN
+c1ccccc1COc2ccc(cc2)I
+c1ccccc1COc2ccc(cc2)N
+c1ccccc1COc2ccc(cc2)N(C)c3ccc(cc3)C(C(OC)=O)C
+c1ccccc1COc2ccc(cc2)O
+c1ccccc1COc2ccc(cc2)OCC3OC3
+c1ccccc1COc2ccc(cc2)OCCBr
+c1ccccc1COc2ccc(cc2)S(=O)(=O)NC3CCOCC3(C)C(=O)O
+c1ccccc1COc2ccc(cc2Cl)B(O)O
+c1ccccc1COc2ccc(cc2F)B(O)O
+c1ccccc1COc2ccc3C(=O)N(C(=C(c3c2)OCCCC)C(O)=O)CC(C)C
+c1ccccc1COc2ccc3[nH]c(cc3c2)CC(C)C(=O)OC
+c1ccccc1COc2ccc3[nH]ccc3c2
+c1ccccc1COc2ccc3c([n+](cc4c3n(c(COCC)n4)CC(C)(C)NS(=O)(=O)C)[O-])c2
+c1ccccc1COc2ccc3c(c2)ccc(c3)CCl
+c1ccccc1COc2ccc3c(c2)ncc4c3C(CCC4)OC(C)=O
+c1ccccc1COc2ccc3c(n(cn3)-c4sc(C(=O)OCC)c(-c5cccc(Cl)c5)n4)c2
+c1ccccc1COc2ccc3c(oc(c3)C(CC)(CC)O)c2
+c1ccccc1COc2ccc3n(C(C)C)c(C(=O)OCC)cc3c2
+c1ccccc1COc2ccc3n4C(C)CNC(c4cc3c2)=O
+c1ccccc1COc2cccc(C(CC(=O)OCC)C[N+](=O)[O-])c2
+c1ccccc1COc2cccc(C(N)=O)c2OCc3ccccc3
+c1ccccc1COc2cccc(C(Nc3ncc(cc3)Br)=O)c2[N+]([O-])=O
+c1ccccc1COc2cccc(c2)-c3[nH]ncc3-c4nc(ncc4)Cl
+c1ccccc1COc2cccc(c2)B(O)O
+c1ccccc1COc2cccc(c2)C(CCN)O
+c1ccccc1COc2cccc3c(cc(nc23)C)Cl
+c1ccccc1COc2cccc3c2cc(C(OCC)=O)[nH]3
+c1ccccc1COc2cccc3ccc(nc23)Cl
+c1ccccc1COc2cccc3n(C)c(C(=O)OCC)cc23
+c1ccccc1COc2ccccc2CO
+c1ccccc1COc2ccccc2O
+c1ccccc1COc2ccnc(c2[N+](=O)[O-])F
+c1ccccc1COc2cnc(c(OCc3ccccc3)c2)C#N
+c1ccccc1COc2cncc(OCc3ccccc3)c2CO
+c1ccccc1COc2nc(C)cc(C)c2CN3CCc4c(Cl)cc(C(CC)=O)c(Cl)c4C3=O
+c1ccccc1COc2nnc(cc2OCc3ccccc3)Cl
+c1ccccc1CSC(C)(CCC)CC(=O)OCC
+c1ccccc1CSc2ccc(c([N+](=O)[O-])c2)NC(C)=O
+c1ccccc1CSc2ccc3c(Br)c(nnc3c2)Br
+c1ccccc1CSc2nc(c3sc(N)nc3n2)Cl
+c1ccccc1CSc2ncc(c(N)n2)CNc3c(cccc3)Cl
+c1ccccc1C[Mg]Cl
+c1ccccc1Cc2c(C)c(c(C)c(C)c2OC)OC
+c1ccccc1Cc2c(S(=O)(=O)N)cc(C(=O)OCC)cc2SC
+c1ccccc1Cc2c(c3ccccc3o2)-c4ccc(cc4)O
+c1ccccc1Cc2c3c([nH]c2)cccc3
+c1ccccc1Cc2ccc(cc2)O
+c1ccccc1Cc2ccccc2C(OCC)=O
+c1ccccc1Cc2ncccc2
+c1ccccc1Cc2nnc(Cl)c3ccccc23
+c1ccccc1Cc2nnc(N3CCC(CC3)=O)c(C)c2C
+c1ccccc1Cl
+c1ccccc1Cn2c(CC)c(C=O)c(C(=O)OC)c2C(C)C
+c1ccccc1Cn2c3c(ccc(O)c3)nc2Nc4cc(c(cc4)OC)OC
+c1ccccc1Cn2c3c(ccc(c3)OC)cc2C(C)C
+c1ccccc1Cn2c3c(ncc(Br)c3cc2C(=O)OCC)OC
+c1ccccc1Cn2c3cccc(OCc4ccccc4)c3cc2C
+c1ccccc1Cn2cc(CC(NN)=O)c3cc(ccc23)OC
+c1ccccc1Cn2cnc3c2nc(nc3N)Cl
+c1ccccc1Cn2ncc(c2C(OCC)=O)C(OCC)=O
+c1ccccc1N(C(=O)c2ccccc2)N
+c1ccccc1N(C)C(=O)Cl
+c1ccccc1N(CC)CCCCCCO
+c1ccccc1N(CCC#N)CCC#N
+c1ccccc1N(CCCC)CCCC
+c1ccccc1N(c2ccccc2)c3ccc(cc3)C=Cc4ccc(cc4)C=C
+c1ccccc1N2C(=O)C3=CNC=C(C(OCC)=O)C3=N2
+c1ccccc1N2C(=O)c3c(C(CC#N)=N2)c4cc(Cl)ccc4n3C
+c1ccccc1N2C=C(C)C(=O)c3ccc(cc23)Cl
+c1ccccc1N2CC(OC2=O)COS(=O)(=O)C
+c1ccccc1N2CCNCC2
+c1ccccc1N2N(C)C(C)=C(C(O)=O)C2=O
+c1ccccc1N2c3c(cccc3)NC(=O)CC2=O
+c1ccccc1NC(C)C
+c1ccccc1NCC
+c1ccccc1NCC(=O)OCC
+c1ccccc1NCc2ccco2
+c1ccccc1Nc2c(C(=O)OC)ccc(C(=O)OC)c2
+c1ccccc1Nc2ccc3-c4ccccc4C(C)(C)c3c2
+c1ccccc1Nc2cnc(cc2)C#N
+c1ccccc1Nc2ncn(-c3ccnc(Cl)c3)n2
+c1ccccc1OC(=O)N(C(Oc2ccccc2)=O)c3cc(Oc4cc5ccn(C(=O)NC)c5cc4)ccn3
+c1ccccc1OC(=O)N(C(Oc2ccccc2)=O)c3cc(ccn3)Oc4ccc(NC(C5(CC5)C(Nc6ccccc6)=O)=O)c(F)c4
+c1ccccc1OC(=O)Nc2c(cc(C)nc2SC)SC
+c1ccccc1OC(=O)Nc2cc(nn2C)CC
+c1ccccc1OC(Cl)=O
+c1ccccc1OC(Nc2c(Cl)cc(cc2)Oc3c4c(ncc3)cc(OC)c(C(=O)OC)c4)=O
+c1ccccc1OC(Nc2ncncc2)=O
+c1ccccc1OCC
+c1ccccc1OCC(=O)Cl
+c1ccccc1OCC(N(C)OC)=O
+c1ccccc1OCC2OCCN(S(=O)(=O)c3c4c(c([N+]([O-])=O)cc(c4)Cl)[nH]c3C(OCC)=O)C2
+c1ccccc1OCCBr
+c1ccccc1OCCC=O
+c1ccccc1OCCCBr
+c1ccccc1OCCCCC(C(=O)OCC)(C(=O)OCC)C
+c1ccccc1OCCCOCCOCCCO
+c1ccccc1OCCO
+c1ccccc1Oc2c(C(=O)NN)cccc2
+c1ccccc1Oc2c(NC(NC(c3ccccc3)=O)=S)ncc(Br)c2
+c1ccccc1Oc2c([N+](=O)[O-])c(ccc2Br)O
+c1ccccc1Oc2c(cc(cc2)F)[N+]([O-])=O
+c1ccccc1Oc2cc(Br)ccc2F
+c1ccccc1Oc2cc(C)ccc2
+c1ccccc1Oc2cc(C=O)ccc2F
+c1ccccc1Oc2cc(c(Br)cc2)F
+c1ccccc1Oc2ccc(C)nc2
+c1ccccc1Oc2ccc(cc2)CC(=O)O
+c1ccccc1Oc2ccc(cc2)N
+c1ccccc1Oc2ccc(cc2)O
+c1ccccc1Oc2ccc(cc2)[Mg]Br
+c1ccccc1Oc2ccc(cc2N)OC
+c1ccccc1Oc2ccc(cc2[N+](=O)[O-])O
+c1ccccc1Oc2cccc(c2N)C
+c1ccccc1Oc2ccccc2CBr
+c1ccccc1Oc2ccccc2[Li]
+c1ccccc1P(O)(O)=O
+c1ccccc1P(c2ccccc2)(C(F)F)=O
+c1ccccc1P(c2ccccc2)(c3ccccc3)=CC(=O)OC
+c1ccccc1S(=NC(=O)c2cnc(N)c(c2)I)(C)=O
+c1ccccc1S(=O)(=O)Cc2cc(ccc2[N+](=O)[O-])F
+c1ccccc1S(=O)(=O)Cl
+c1ccccc1S(=O)(=O)NC
+c1ccccc1S(=O)(=O)Nc2cc(Sc3cc(c(cc3)[N+](=O)[O-])C=O)ccc2
+c1ccccc1S(=O)(=O)Nc2ccc(cc2C=CC(OC)=O)Cl
+c1ccccc1S(=O)(=O)c2c3c([nH]c2Cl)ccc(c3)Cl
+c1ccccc1S(=O)(=O)c2cc(OC)c([N+](=O)[O-])cc2
+c1ccccc1S(=O)(=O)c2ccc(cc2)OC
+c1ccccc1S(=O)(=O)c2cnc(C#N)cc2
+c1ccccc1S(=O)(=O)n2c(C#N)cc3nc(ccc23)Cl
+c1ccccc1S(=O)(=O)n2c3cc(F)ccc3c(-c4ccc5oc(nc5c4)CCl)c2
+c1ccccc1S(=O)(=O)n2c3ncc(F)cc3cc2
+c1ccccc1S(=O)(=O)n2cc(c3c2cc(F)cc3)-c4ccc(c(O)c4)N
+c1ccccc1S(=O)(=O)n2cc(c3cc(Br)cnc23)Cc4c(nc(cc4)N)F
+c1ccccc1S(=O)(=O)n2ccc3cc(OC)cnc23
+c1ccccc1S(C)(=O)=N
+c1ccccc1SC
+c1ccccc1SC(c2c3c(cccc3)ccc2OC)C[N+](=O)[O-]
+c1ccccc1SC2(CC2)C(=O)C
+c1ccccc1SCC2NC(=O)C2
+c1ccccc1SCCCBr
+c1ccccc1SSc2ccccc2
+c1ccccc1Sc2c(cc(CO)cc2)C
+c1ccccc1Sc2c3ccccc3[nH]c2
+c1ccccc1Sc2ccc(cc2)Cc3csc(Br)n3
+c1ccccc1Sc2ccc(cc2)O
+c1ccccc1Sc2ccccc2
+c1ccccc1Sc2ccccc2C(Cl)=O
+c1ccccc1[I+]c2c(C(=O)[O-])cccc2
+c1ccccc1[Mg]Br
+c1ccccc1[N+]#N
+c1ccccc1[N+]([O-])=O
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)C
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)C(OCC)C(=O)OCC
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)CC(CC)C
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)CCCC(OCC)=O
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)CCCCCCCCC(O)=O
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)CCOC
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)COC
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4c(O)cccc4
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4cc(F)c(c(F)c4)F
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4ccc(c(c4)Oc5ccccc5)F
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4ccc(cc4)CO
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4ccc5cc(OCc6ccccc6)ccc5c4
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4ccccc4Br
+c1ccccc1[P+](c2ccccc2)(c3ccccc3)Cc4ccccc4Cl
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCCC3C(C4CCC5(C(=C)CCC5C4OC(C)=O)C)(C)CCC(OC(=O)C)C3
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)OCc3cccc(CO)c3
+c1ccccc1[Si](c2ccccc2)(C(C)(C)C)Oc3ccc(cc3)B(O)O
+c1ccccc1[Si](c2ccccc2)(N3C(C(=O)OCc4ccccc4)CC3=O)C(C)(C)C
+c1ccccc1[Si](c2ccccc2)(OCC3C4CC(C(=C)C4(C)CCC3C5(C)CCC(OC(C)=O)CC5COC(C)=O)OC(C)=O)C(C)(C)C
+c1cccn1-c2c(cccc2)C=O
+c1cccn1-c2cc(c(Cl)cc2)C(O)=O
+c1cccn1C
+c1cccn2c(-c3cc(F)ncc3)c(C(=O)OCC)nc12
+c1cccn2c(c(C(=O)O)nc12)CCC
+c1cccn2c(cnc12)C(=O)O
+c1cccnc1-c2cc(cc(-c3ccccn3)n2)O
+c1cccnc1-c2csc(n2)-c3ccc(c(OCC)c3)OCC
+c1cccnc1OC(Oc2ccccn2)=S
+c1cccnc1[Zn+]
+c1ccco1
+c1cccs1
+c1ccn(c1)-c2c(Cl)cccn2
+c1ccn(c1)-c2cc(C(=O)OC)cc(c2)C(=O)OC
+c1ccn(c1)-c2cccc(C(OC)=O)c2
+c1ccn2-c3c(NCc12)cccc3
+c1ccnc2C(N)CCC(c3c(c(ccc3)F)F)C(N=[N+]=[N-])c12
+c1cnc(Cl)c(CNC(C2CCN(C)C(=O)C2)=O)n1
+c1cnc(Cl)c(n1)CN
+c1cnc(c2ccc(C)c(c12)I)O
+c1cnc(c2cccc(C)c12)O
+c1cnc2c(Br)cc(-c3cc(ccc3)C(=O)OC)nn12
+c1cnc2n1nc(Cl)cc2Nc3nc(ccc3)F
+c1cncc2c1CNCC2
+c1cncc2cccc(O)c12
+c1cncc2nc(nc(Cl)c12)Cl
+c1cnccc1
+c1cnccc1-c2c(-c3cc(F)ccc3)nc(nc2O)N
+c1cnccc1-c2c(-c3ccc(s3)Cl)nn(C(C)CC)c2
+c1cnccc1-c2c(F)cccc2F
+c1cnccc1-c2ccnc3c2cc(cc3)Br
+c1cnccc1-c2nc(Cl)c(c(Cl)n2)Oc3c(cccc3)OC
+c1cnccc1-c2nc(NC(C)(C)c3ccccc3)nc(Cl)c2-c4ccc(cc4)F
+c1cnccc1-c2nc(O)c(C(=O)OCC)cn2
+c1cnccc1-c2nn(cc2Br)CC
+c1cnccc1-n2cc(c3c2cc(cc3)-c4cccc(c4)[N+]([O-])=O)Br
+c1cnccc1B(O)O
+c1cnccc1Br
+c1cnccc1C
+c1cnccc1C#N
+c1cnccc1C(=NO)Cc2nc(ccc2)Cl
+c1cnccc1C(Cl)=O
+c1cnccc1C(O)c2c3ccccc3[nH]c2
+c1cnccc1C(c2c3cc(ccc3[nH]c2)F)O
+c1cnccc1C2(N=C(c3ncccc23)N)c4cc(OC)ccc4
+c1cnccc1C2OC2
+c1cnccc1C=O
+c1cnccc1CBr
+c1cnccc1CC(c2cc3c(cc2)cccc3)=O
+c1cnccc1CCC
+c1cnccc1CCN
+c1cnccc1CCP(OCC)(OCC)=O
+c1cnccc1CN
+c1cnccc1CP(OCC)(OCC)=O
+c1cnccc1Cl
+c1cnccc1I
+c1cnccc1N
+c1cnccc1N(C)C
+c1cnccc1N2CCC(CC2)C(=O)O
+c1cnccc1N=C(SC)NC#N
+c1cnccc1O
+c1cnccc1S
+c1cnn(c1C(=O)c2ccc(O)c(Cl)c2Cl)C
+c1cnn(n1)-c2c(C(=O)O)c(c(F)cc2)C
+c1cnn(n1)-c2c(C(=O)O)ccc(OC)c2
+c1cnn(n1)-c2c(C(O)=O)cc(F)cc2
+c1cnn(n1)-c2c(cc(C)cc2)C(=O)O
+c1cnn(n1)-c2ccccc2CO
+c1cnn(n1)CCO
+c1csc(C(N)CC(=O)O)c1
+c1csc(c1)C(c2sccc2)(C(=O)OC)O
+c1csc(n1)CNC(=C(C(=O)OC)C=CC(=O)OC)C
+c1n(C)c(C(=O)c2cnc(cc2)Cl)cn1
+c1n(C)c2c(c1C(C(OC)=O)=O)cccc2
+c1n(C)cc(n1)C=O
+c1n(CC=C)cc(CC(N)C(=O)O)n1
+c1n(CCN)cc(C)n1
+c1n(c(Br)nc1C)-c2c(c(OC)cc(O)c2)[N+]([O-])=O
+c1n(c(nc1)Sc2ccc(N)cc2Cl)C
+c1n(c2c(cc(cn2)-c3ccoc3)n1)-c4cccc(c4)O
+c1n2C(Nc3n(cnc3-c2nn1)C4CCCCO4)=O
+c1n2c(cc(N)c1)ccn2
+c1n2c(cc(c1)Br)nc(n2)Br
+c1n2c(n(-c3c(C)ccc(N)c3)c1)cc(-c4cnccc4)n2
+c1n2c(nc1)cc(-c3cc(ncc3)O)cn2
+c1n2nc(ccc2nc1)Br
+c1n2nc(ccc2nc1)C(=O)OC
+c1n2nccc2nc(Cl)c1
+c1nc(Br)c(C)cc1C
+c1nc(C#N)cnc1Br
+c1nc(C(=O)O)c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C
+c1nc(C(=O)OCC)c2n1-c3ccc(cc3C(N4C2CC4)=O)F
+c1nc(C(N)=S)c2CN(C(c3c(ccc(c3Cl)F)-n12)=O)C
+c1nc(C(NO)=N)c2n1-c3cccc(Cl)c3C(N4C2CCC4)=O
+c1nc(C)ccc1C(=O)OC
+c1nc(Cl)nn1-c2ccc([N+]([O-])=O)cc2O
+c1nc(N)nnc1Br
+c1nc([nH]c1)C(c2[nH]ccn2)=O
+c1nc(c(C)c(OC)c1)CSc2nc3ccccc3[nH]2
+c1nc(c([N+]([O-])=O)cc1[N+]([O-])=O)Cl
+c1nc(c2CN(C(=O)c3c(-n12)cccc3Cl)C)C(=O)N
+c1nc(c2N=NN(CC(OCC)=O)C(=O)n12)C(=O)N
+c1nc(c2n1-c3ccc(cc3C(NC2)=O)F)C(=O)OCC
+c1nc(ccc1C#N)Br
+c1nc(ccc1C(=O)OC)Br
+c1nc(ccc1C)C(=O)O
+c1nc(ccc1C)Cl
+c1nc(ccc1C)N
+c1nc(ccc1C)NC(=O)C(CCOC)OC(C)=O
+c1nc(ccc1C)[Zn+]
+c1nc(n(C)n1)CO
+c1nc(nc(c1C)-c2c3ccccc3n(C)c2)Cl
+c1nc(nc(c1F)-c2n(C)c(C)nc2)Cl
+c1nc(ncc1)-c2c(C(O)=O)ccs2
+c1nc(ncc1)-c2c(F)nccc2
+c1nc(ncc1)-c2ccc(nc2C#N)C
+c1nc(ncc1)-c2cccc(c2)N
+c1nc(ncc1)C(=O)CCl
+c1nc(ncc1)C(C)=O
+c1nc(ncc1)C(F)(F)C(=O)OCC
+c1nc(ncc1)CCl
+c1nc(ncc1)N2CCC(CC2)N
+c1nc(ncc1)N2CCC(CC2)O
+c1nc(ncc1)N2CCNCC2
+c1nc(ncc1-c2ccc(cc2)Br)CCCCCCCC
+c1nc(ncc1-c2nc(COC3CCN(CC3)C(OC(C)C)=O)on2)OC
+c1nc(ncc1B(O)O)N
+c1nc(ncc1B(O)O)OC
+c1nc(ncc1Br)-n2c3c(ccc(C(=O)OC)c3)c(c2)SC
+c1nc(ncc1Br)C(O)=O
+c1nc(ncc1Br)C=2CCOCC=2
+c1nc(ncc1Br)CO
+c1nc(ncc1Br)N
+c1nc(ncc1C#Cc2cccc(N)c2)N
+c1nc(ncc1C(=O)O)Cl
+c1nc(ncc1C(=O)OC)Cl
+c1nc(ncc1C(=O)OC)N2CCc3c([nH]c4ccccc34)C2
+c1nc(ncc1C(=O)OCC)Cl
+c1nc(ncc1C(=O)OCC)SC
+c1nc(ncc1C(CC(=O)OCC)CCO)C
+c1nc(ncc1C(N)C)C
+c1nc(ncc1C)CC#N
+c1nc(ncc1C=O)OC2CCN(CC2)C3CCC3
+c1nc(ncc1CC#N)C
+c1nc(ncc1CC(C(=O)OC)C=O)OC
+c1nc(ncc1CCC(OC)=O)C
+c1nc(ncc1CO)Cl
+c1nc(ncc1Cl)Cl
+c1nc(ncc1Cl)N2CCC(CC2)C3CC3CCO
+c1nc(ncc1F)C(C)N
+c1nc(ncc1F)Cl
+c1nc(ncc1I)Cl
+c1nc(ncc1O)-c2cccc(C(O)=O)c2
+c1nc(ncc1OCC)Cl
+c1nc(ncc1OCCOC)Cl
+c1nc(ncc1[N+]([O-])=O)Cl
+c1nc(ncc1[N+]([O-])=O)N
+c1nc2Nc3cc(C(=O)OC)ccc3Sc2nc1
+c1nc2c(C(N(C(=O)N2C)C)=O)n1C(C)C(=O)OC
+c1nc2c(C(NC(=O)N2C)=O)n1C
+c1nc2c(cc(C#N)cc2)s1
+c1nc2c(cc1N)cccc2
+c1nc2c(n1C)c(OC(C3CC(NC3)=O)C)nc(Cl)c2
+c1nc2c(s1)nc(nc2Nc3ccc(OC)c(c3)OC)Cl
+c1nc2ccccc2nc1CNC
+c1nc2n(CCNC2)n1
+c1nc2n(n1)cc(I)cc2Br
+c1ncc(-c2cc(Cl)c(C3=Cc4c(N(C3=O)CC)nc(Cl)nc4)cc2)nc1C
+c1ncc(-c2cc(Cl)c(C3=Cc4c(nc(SC)nc4)N(CC5CO5)C3=O)cc2)nc1C
+c1ncc(Br)n1C
+c1ncc(CCN)n1C
+c1ncc(Cl)nc1C
+c1ncc(I)c(Cl)n1
+c1ncc(c(Cl)n1)C#N
+c1ncc(c(Cl)n1)F
+c1ncc(nc1C)C(=O)O
+c1ncc2c(I)c[nH]c2n1
+c1nccc(C)n1
+c1nccc(Cl)n1
+c1nccc(n1)C=2NC(=S)N(C(C=2)=O)C
+c1nccn1C(n2cncc2)=S
+c1ncn(c1)CC(Cl)c2ccccc2OC
+c1ncncc1C(=O)C
+c1ncncc1CC=2C(=O)NC(NC=2)=S
+c1ncncc1Cn2c3ncc(F)cc3c(C(N)=N)n2
+c1ncncc1O
+c1ncncc1Oc2cc(C)nc(C#N)c2
+c1nncn1-c2ccccc2C#N
+c1ocnc1
+n1(-c2ncccc2Cl)ncc3c(ncnc13)O
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+n1n(C)c(C(=O)O)cc1C
+n1n(C)c(C)cc1C(=O)N
+n1n(C)c(C=O)nc1Br
+n1n(C)c(CNC)cc1[N+](=O)[O-]
+n1n(C)c(c(N)c1CCC)C(=O)N
+n1n(C)c(cc1Br)C=O
+n1n(C)c(cc1[N+](=O)[O-])COC
+n1n(C)ccc1CN
+n1n(C)ccc1I
+n1n(CCC#C)ccn1
+n1n(c(C(N)=O)c(NC(c2ccccc2OCCC)=O)c1CCC)C
+n1n(c(C)c(Br)c1CO)C
+n1n(c(N)cc1C)C
+n1n(c2c(cc(cn2)[N+](=O)[O-])c1N)C
+n1n(c2c(ccc(c2)O)c1)CC(C)N
+n1n(c2ccccc2n1)O
+n1n(ccn1)CCCCc2ccc(cc2C)O
+n1n(ccn1)CCO
+n1n(cnc1)-c2cc(C#N)c(N)c(C)c2
+n1n(cnc1)-c2ccc(C(=O)O)cc2F
+n1n(cnc1CN)C
+n1n2CCCC(c2c(c1C(=O)OC)[N+](=O)[O-])=O
+n1n2CCNCc2cc1[N+](=O)[O-]
+n1n2CCOCc2cc1C(OCC)=O
+n1n2CCOCc2cc1[N+](=O)[O-]
+n1n2c(c(Br)cc1Cl)ncc2C(=O)O
+n1n2c(c(Br)ccc2)cc1N
+n1n2c(cc(Br)cc2)nc1N
+n1n[nH]cc1CCN
+n1n[nH]cc1[N+](=O)[O-]
+n1nc(Br)sc1Br
+n1nc(Cl)c(C)cc1N
+n1nc(ccc1F)N
+n1nc(ccc1N)Cl
+n1nc(ncc1-c2ccccc2F)O
+n1nc2c(nc(Cl)nc2N3CCOCC3C)n1CC
+n1nc[nH]c1
+n1nc[nH]c1-c2c(N)scc2Br
+n1nc[nH]c1-c2c(N)scc2Cl
+n1nc[nH]c1Br
+n1nc[nH]c1C
+n1ncc(O)cc1Cl
+n1nccc(C(=O)O)c1N
+n1ncccc1
+n1ncccc1Cl
+n1nn(CCN)cc1C(=O)OC
+n1nn2c3ccccc3c(c(c2n1)[N+](=O)[O-])O
+n1nn[nH]c1C
+n1nn[nH]c1N
+n1nsc(c1C)C(=O)C
+n1onc2cc(ccc12)C(=O)O
+n1onc2cc(ccc12)O
+n1sc(c(N)c1-c2cc(C)ccc2)C(=O)OCC
+n1snc2c1cc(cc2)OC
+o1c(-c2cc(CBr)ccc2)ccc1Br
+o1c(-c2ccco2)nc(CCl)c1C
+o1c(Br)ccc1C=O
+o1c(C#N)ncc1C
+o1c(C(=O)C)c(c2c1cccc2O)C
+o1c(C)cnc1-c2c(N)n[nH]c2
+o1c(CN)c(C(OCC)=O)nc1C
+o1c(cc2c1cc(cc2OC(C)=O)C(=O)OCC)CC
+o1c2CCNCc2nc1C
+o1c2c(c(O)ncc2Br)cc1C=O
+o1c2cc(ccc2c(CC(OC)=O)c1)O
+o1c2cccc(c2c(C)c1C(=O)OCC)O
+o1cc(nc1COC(C)=O)C(=O)OC
+o1nc(cc1-c2cc(ccc2)C(=O)OCC)C
+s1c(-c2c(cncc2)F)ncc1C
+s1c(C#N)ccc1CNC(=O)CN
+s1c(C)ccc1C(=O)O
+s1c(C)ccc1C(Cl)=O
+s1c(Cl)c(c2[nH]c(cc12)C(=O)O)Cl
+s1c(NC2C(O)CCCC2)nc3ccc(C#N)cc13
+s1c(cc2CCCCc12)C(=O)O
+s1c(ccc1C(Cl)=O)Cl
+s1c(ccc1C=C)CCCC
+s1c(nc(Cl)c1)Cl
+s1c2c(nccc2Cl)cc1-c3cn(cn3)CCC
+s1c2c(nccc2Cl)cc1-c3sccn3
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ccc(C=O)cn4
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ccc(CCl)cn4
+s1c2c(nccc2Oc3ccc([N+]([O-])=O)cc3F)cc1-c4ncc(n4C)C=O
+s1c2cc(C(NC)=O)ccc2cc1-c3nc(Cl)ncc3C
+s1cc(Br)nc1
+s1cc(CCl)nc1
+s1ccc(Br)c1
+s1ccc(C(=O)CN)c1
+s1ccc(C)c1
+s1ccc(CN)c1
+s1ccc(CO)c1
+s1ccnc1
+s1ccnc1-c2[nH]ccn2
+s1ccnc1-c2cc(ncc2Cl)Cl
+s1ccnc1-c2ccc3c(Cl)ccnc3n2
+s1cnc(-c2cc(Br)cnc2Cl)c1-c3c(c(Cl)ccc3)Cl
+s1cnc2cc(cc(OC(C3CC(=O)NC3)C)c12)O
diff --git a/releases/n1-n5-composites-inchi-v1/release.json b/releases/n1-n5-composites-inchi-v1/release.json
new file mode 100644
index 0000000000000000000000000000000000000000..e3d3521e1186162ed2c140d740547285cc1ecdbd
--- /dev/null
+++ b/releases/n1-n5-composites-inchi-v1/release.json
@@ -0,0 +1,70 @@
+{
+  "dataset": null,
+  "files": {
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+  "kind": "dataset",
+  "release": "n1-n5-composites-inchi-v1",
+  "schema": "retrocomposite-hub-release/1"
+}